smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C[NH2+][C@@H](C(=O)[O-])c2ccc(F)cc2)ccc1N(C)C ZINC001574330221 960871075 /nfs/dbraw/zinc/87/10/75/960871075.db2.gz OZMBIFYYLGJTQN-QGZVFWFLSA-N 0 0 316.376 3.116 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C(=O)[O-])c1ccc(N(C)C)cc1 ZINC000316310522 964001612 /nfs/dbraw/zinc/00/16/12/964001612.db2.gz KLVDBCIKEFEJKH-QRTARXTBSA-N 0 0 304.434 3.294 20 10 DGCDRN CCC(CC)(C[NH2+]Cc1c(C)c2ccccc2n1C)C(=O)[O-] ZINC001603541994 973594625 /nfs/dbraw/zinc/59/46/25/973594625.db2.gz DDFHGWXEVLCZKF-UHFFFAOYSA-N 0 0 302.418 3.467 20 10 DGCDRN CC[C@@H](C)[N@H+](CC(=O)[O-])Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001594979506 982770505 /nfs/dbraw/zinc/77/05/05/982770505.db2.gz UAXJVMHKJSMUHC-GFCCVEGCSA-N 0 0 323.433 3.383 20 10 DGCDRN CCC[N@H+](Cc1c2cc(F)ccc2n(C)c1C(=O)[O-])C1CC1 ZINC001595885917 982911668 /nfs/dbraw/zinc/91/16/68/982911668.db2.gz MHGCMBSJANGZSM-UHFFFAOYSA-N 0 0 304.365 3.390 20 10 DGCDRN CCC[N@H+](Cc1ccccc1O)[C@H](C)c1nc(C(=O)[O-])co1 ZINC001595891475 982926755 /nfs/dbraw/zinc/92/67/55/982926755.db2.gz UHUYHZRRSYCWQI-LLVKDONJSA-N 0 0 304.346 3.052 20 10 DGCDRN CCN(C)c1ccc(C[NH2+]C2(C(=O)[O-])CCCCCC2)cc1 ZINC001596197191 983580852 /nfs/dbraw/zinc/58/08/52/983580852.db2.gz DDBNJFQFNPQMJI-UHFFFAOYSA-N 0 0 304.434 3.410 20 10 DGCDRN C[C@H]1C[NH+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C[C@@H]1C ZINC001594533175 986135863 /nfs/dbraw/zinc/13/58/63/986135863.db2.gz BDCJTJACZFBABB-QWRGUYRKSA-N 0 0 304.365 3.103 20 10 DGCDRN C[C@H](C(=O)[O-])[N@H+](C/C=C\c1ccc(N(C)C)cc1)C1CCC1 ZINC001589485670 987018104 /nfs/dbraw/zinc/01/81/04/987018104.db2.gz BJZDHHDQLDTBPS-GEXIGZQTSA-N 0 0 302.418 3.093 20 10 DGCDRN C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1ncc(C(=O)[O-])s1 ZINC001593198719 994174793 /nfs/dbraw/zinc/17/47/93/994174793.db2.gz UVHRBLDPVJEQPU-HTQZYQBOSA-N 0 0 310.350 3.098 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCSC(C)(C)C1)c1cc(C(=O)[O-])ccc1O ZINC001593232923 994388160 /nfs/dbraw/zinc/38/81/60/994388160.db2.gz QAWGULMUHHHGGB-ZYHUDNBSSA-N 0 0 309.431 3.415 20 10 DGCDRN C[C@@H]([NH2+]C[C@@](C)(O)C1CCCCC1)c1cc(C(=O)[O-])ccc1O ZINC001593240706 994430689 /nfs/dbraw/zinc/43/06/89/994430689.db2.gz ROKYGDGTACLLSJ-KZULUSFZSA-N 0 0 321.417 3.072 20 10 DGCDRN C[C@H]([NH2+]C[C@](C)(O)C1CCCCC1)c1cc(C(=O)[O-])ccc1O ZINC001593240707 994430954 /nfs/dbraw/zinc/43/09/54/994430954.db2.gz ROKYGDGTACLLSJ-SGTLLEGYSA-N 0 0 321.417 3.072 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(F)cnc1Cl)c1cc(C(=O)[O-])ccc1O ZINC001593291607 994668881 /nfs/dbraw/zinc/66/88/81/994668881.db2.gz AGDUJDXGRWEQQO-MRVPVSSYSA-N 0 0 324.739 3.129 20 10 DGCDRN COc1ccc(F)c(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)c1 ZINC001599581583 998540648 /nfs/dbraw/zinc/54/06/48/998540648.db2.gz VGUKCOMJNHBSBX-SNVBAGLBSA-N 0 0 319.332 3.089 20 10 DGCDRN C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1[NH2+]CCCSc1nccs1 ZINC001594182711 998702521 /nfs/dbraw/zinc/70/25/21/998702521.db2.gz FYKXJXHNXIJDMD-UTUOFQBUSA-N 0 0 314.476 3.104 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C[C@H]1C ZINC001594422537 999575048 /nfs/dbraw/zinc/57/50/48/999575048.db2.gz GHQQLBGYIZSYKE-VXGBXAGGSA-N 0 0 318.392 3.494 20 10 DGCDRN CSc1nc2ccnc(NCc3ccc(O)c(O)c3)c2s1 ZINC001169992768 1081795092 /nfs/dbraw/zinc/79/50/92/1081795092.db2.gz DUEHGTJQVNARPY-UHFFFAOYSA-N 0 0 319.411 3.437 20 10 DGCDRN CCc1nc(Cl)c(NCc2ccc(O)c(O)c2)nc1CC ZINC001169992728 1081795525 /nfs/dbraw/zinc/79/55/25/1081795525.db2.gz LQNNMOANBNXJEO-UHFFFAOYSA-N 0 0 307.781 3.278 20 10 DGCDRN Oc1ccc(CNc2nccc(C(F)(F)F)c2F)cc1O ZINC001169993181 1081797231 /nfs/dbraw/zinc/79/72/31/1081797231.db2.gz HLUZZDUYFCMOQM-UHFFFAOYSA-N 0 0 302.227 3.263 20 10 DGCDRN Oc1ccc(CNc2nc(Cl)cc3ncccc32)cc1O ZINC001169993840 1081808377 /nfs/dbraw/zinc/80/83/77/1081808377.db2.gz VJIIJOSDDZOQTL-UHFFFAOYSA-N 0 0 301.733 3.307 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cc(Cl)nc(Cl)c2)c1 ZINC001167290623 1081909873 /nfs/dbraw/zinc/90/98/73/1081909873.db2.gz IHOVIRZPIMQFEL-UHFFFAOYSA-N 0 0 311.168 3.332 20 10 DGCDRN Cc1cc(CCNC(=O)c2c(F)ccc(O)c2O)ccc1Cl ZINC001648823721 1081933381 /nfs/dbraw/zinc/93/33/81/1081933381.db2.gz IJSVNTYUXNEVLZ-UHFFFAOYSA-N 0 0 323.751 3.171 20 10 DGCDRN C[C@@H]1Oc2ccc(NCc3cc(F)cc(F)c3O)cc2NC1=O ZINC001648862400 1081949077 /nfs/dbraw/zinc/94/90/77/1081949077.db2.gz YZRYGMNATUCNFI-QMMMGPOBSA-N 0 0 320.295 3.002 20 10 DGCDRN Cc1c(CC(=O)N[C@H](C)c2ccccc2O)cccc1[N+](=O)[O-] ZINC001648889537 1081954011 /nfs/dbraw/zinc/95/40/11/1081954011.db2.gz ASOGRPBHUQMKJP-GFCCVEGCSA-N 0 0 314.341 3.029 20 10 DGCDRN COc1cc(NC(=O)C2=CC(=O)CS2)ccc1OC(F)F ZINC001167413971 1082078126 /nfs/dbraw/zinc/07/81/26/1082078126.db2.gz NZNKRGLARHWRKG-UHFFFAOYSA-N 0 0 315.297 3.316 20 10 DGCDRN O=C(Nc1ccc(O[C@H]2CC2(F)F)cc1)c1cccc(O)c1O ZINC001167415851 1082079464 /nfs/dbraw/zinc/07/94/64/1082079464.db2.gz CCRCZUNCFCPHDO-ZDUSSCGKSA-N 0 0 321.279 3.137 20 10 DGCDRN C[C@H](c1ccc(F)cc1)N(C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403537 1082147423 /nfs/dbraw/zinc/14/74/23/1082147423.db2.gz LZMUWIGFKXUZPG-GFSSTFBJSA-N 0 0 315.344 3.470 20 10 DGCDRN CCN(C(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000588403551 1082147425 /nfs/dbraw/zinc/14/74/25/1082147425.db2.gz ORZFOKDRAUJNBH-WMZJFQQLSA-N 0 0 301.317 3.303 20 10 DGCDRN COc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1Cl ZINC000588403684 1082147447 /nfs/dbraw/zinc/14/74/47/1082147447.db2.gz VORUXXUMHDGIQS-CLTKARDFSA-N 0 0 319.744 3.412 20 10 DGCDRN CCc1ccc(CCNC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000588407194 1082155138 /nfs/dbraw/zinc/15/51/38/1082155138.db2.gz OCBBGKPHHHDLRH-NTMALXAHSA-N 0 0 311.381 3.032 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC1(c2ccccc2F)CC1 ZINC000588407062 1082155203 /nfs/dbraw/zinc/15/52/03/1082155203.db2.gz SERGCCLQTRMLNX-VURMDHGXSA-N 0 0 313.328 3.056 20 10 DGCDRN CC(C)[C@@H]1CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000588407974 1082162665 /nfs/dbraw/zinc/16/26/65/1082162665.db2.gz JLFMGQYSXCUCJM-DDJMYBDESA-N 0 0 303.402 3.396 20 10 DGCDRN C[C@@H](CN1CCC[C@@H](C)C1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001648914137 1082336200 /nfs/dbraw/zinc/33/62/00/1082336200.db2.gz PVUGWYILPCLHCI-NEPJUHHUSA-N 0 0 314.832 3.395 20 10 DGCDRN O=C(/C=C\c1cccc(O)c1)NCc1c(O)ccc2c1CCCC2 ZINC000588537011 1082576811 /nfs/dbraw/zinc/57/68/11/1082576811.db2.gz ACERSWWLCYOKHW-FLIBITNWSA-N 0 0 323.392 3.306 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)C[C@H]2C=CCCC2)cc1 ZINC001130544532 1082590675 /nfs/dbraw/zinc/59/06/75/1082590675.db2.gz RCWOGWQQQAIOMO-INIZCTEOSA-N 0 0 316.445 3.336 20 10 DGCDRN COc1cc(/C=C2\SC(N3CCCCC3)=NC2=O)ccc1C ZINC000588597663 1082837875 /nfs/dbraw/zinc/83/78/75/1082837875.db2.gz ZLCUWWPAWHEADT-PTNGSMBKSA-N 0 0 316.426 3.460 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC000724814986 1082923008 /nfs/dbraw/zinc/92/30/08/1082923008.db2.gz XVJXSKKRGZQDSS-NOZJJQNGSA-N 0 0 302.201 3.310 20 10 DGCDRN CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1cc(F)cc(F)c1[O-] ZINC001181023036 1083386751 /nfs/dbraw/zinc/38/67/51/1083386751.db2.gz QJBGFCOJFITLOP-INIZCTEOSA-N 0 0 321.367 3.444 20 10 DGCDRN CO[C@@H](C)CC(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001181551829 1083489681 /nfs/dbraw/zinc/48/96/81/1083489681.db2.gz BPZKFVZLSPYEPT-LPCHDQEQSA-N 0 0 313.361 3.030 20 10 DGCDRN Cc1cc(O)c(CNc2cccc3c2CNC3=O)cc1Cl ZINC001181598591 1083496610 /nfs/dbraw/zinc/49/66/10/1083496610.db2.gz DWHXJQQHMYNWOZ-UHFFFAOYSA-N 0 0 302.761 3.210 20 10 DGCDRN Cn1c(NC(=O)CCc2ccc(O)c(O)c2)cc2ccccc21 ZINC001182154642 1083635002 /nfs/dbraw/zinc/63/50/02/1083635002.db2.gz KVOKVJRHZQPJLL-UHFFFAOYSA-N 0 0 310.353 3.161 20 10 DGCDRN O=C(CCc1ccc(O)c(O)c1)NCc1cccc(C(F)F)c1 ZINC001182155627 1083635121 /nfs/dbraw/zinc/63/51/21/1083635121.db2.gz KBYXSWNFJXAQBA-UHFFFAOYSA-N 0 0 321.323 3.284 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC001182162010 1083636151 /nfs/dbraw/zinc/63/61/51/1083636151.db2.gz WIZSRUJPGIPKNP-GFCCVEGCSA-N 0 0 322.330 3.178 20 10 DGCDRN O=C1CCN(Cc2cc(F)c(F)cc2O)c2ccccc2N1 ZINC001182162306 1083636864 /nfs/dbraw/zinc/63/68/64/1083636864.db2.gz XTNHENPUGYAUKG-UHFFFAOYSA-N 0 0 304.296 3.019 20 10 DGCDRN C[C@@H](C[N@H+](C)Cc1cc(F)cc(F)c1[O-])C(=O)OC(C)(C)C ZINC001182239499 1083660108 /nfs/dbraw/zinc/66/01/08/1083660108.db2.gz ZPJQVLJIRYLSSZ-JTQLQIEISA-N 0 0 315.360 3.080 20 10 DGCDRN O=C(Cc1c[nH]c2c1cccc2F)N1CCc2cccc(O)c2C1 ZINC001182568478 1083754591 /nfs/dbraw/zinc/75/45/91/1083754591.db2.gz VJNPWLQGHNWERP-UHFFFAOYSA-N 0 0 324.355 3.140 20 10 DGCDRN COc1ccc(N(C)C[C@@H]2C[C@]2(C)Br)cc1OC ZINC001182604327 1083765508 /nfs/dbraw/zinc/76/55/08/1083765508.db2.gz GRVSYFIELNERLA-HZMBPMFUSA-N 0 0 314.223 3.314 20 10 DGCDRN CC(C)([NH2+]Cc1cc(F)c(F)cc1[O-])C(=O)Nc1ccccc1 ZINC001183084446 1083864428 /nfs/dbraw/zinc/86/44/28/1083864428.db2.gz MSPLJHANBMUJKC-UHFFFAOYSA-N 0 0 320.339 3.177 20 10 DGCDRN Cc1cc(CN2C[C@H](C)O[C@@H](C)C2)c(O)cc1Br ZINC001250116613 1083968516 /nfs/dbraw/zinc/96/85/16/1083968516.db2.gz DOYBTSBPVVTUEP-QWRGUYRKSA-N 0 0 314.223 3.072 20 10 DGCDRN O=C(NCC(C1CCC1)C1CCC1)c1c(F)ccc(O)c1O ZINC001648936013 1084127647 /nfs/dbraw/zinc/12/76/47/1084127647.db2.gz NUHIMEZOPXMMQT-UHFFFAOYSA-N 0 0 307.365 3.183 20 10 DGCDRN Cc1ccc(F)c(NC(=O)N2CCc3cccc(O)c3C2)c1 ZINC001185247043 1084392465 /nfs/dbraw/zinc/39/24/65/1084392465.db2.gz PSLVZJAPSLJAKT-UHFFFAOYSA-N 0 0 300.333 3.430 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CC[C@H](c3ccco3)C2)cc1OC ZINC001185386653 1084427887 /nfs/dbraw/zinc/42/78/87/1084427887.db2.gz CNSCHQVQWDYSMD-NSHDSACASA-N 0 0 318.329 3.199 20 10 DGCDRN CCOc1cccc(CN2Cc3cnc(Cl)cc3C2)c1O ZINC001203617835 1084467008 /nfs/dbraw/zinc/46/70/08/1084467008.db2.gz VKRYNAWFOTWWRK-UHFFFAOYSA-N 0 0 304.777 3.355 20 10 DGCDRN COc1ccc2[nH]cc(/C=C/C(=O)N(C)c3ccccc3N)c2c1 ZINC001185753137 1084526871 /nfs/dbraw/zinc/52/68/71/1084526871.db2.gz KKBVGISDQZDQHW-JXMROGBWSA-N 0 0 321.380 3.435 20 10 DGCDRN Oc1ccc(Br)cc1CN1CCCC[C@H](F)C1 ZINC001203635963 1084630906 /nfs/dbraw/zinc/63/09/06/1084630906.db2.gz LEDMSPYGZHSIGD-LBPRGKRZSA-N 0 0 302.187 3.479 20 10 DGCDRN CCOc1cc(F)c(F)cc1N(CCO)c1ccc(N)cc1 ZINC001211800689 1084765868 /nfs/dbraw/zinc/76/58/68/1084765868.db2.gz DHOQPCMGOSEJBA-UHFFFAOYSA-N 0 0 308.328 3.076 20 10 DGCDRN COC(=O)/C=C/c1ccc(N2CC[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000829048340 1084795165 /nfs/dbraw/zinc/79/51/65/1084795165.db2.gz YIUUQQFNBSAACZ-VUDGCMKMSA-N 0 0 304.346 3.016 20 10 DGCDRN Cc1cc2c(ccnc2NCCc2cc(O)c(O)cc2O)s1 ZINC001168008783 1086174775 /nfs/dbraw/zinc/17/47/75/1086174775.db2.gz CUBJAEGKPQXSQV-UHFFFAOYSA-N 0 0 316.382 3.376 20 10 DGCDRN Cc1ccc2cc(NCCc3cc(O)c(O)cc3O)ncc2c1 ZINC001168009328 1086177061 /nfs/dbraw/zinc/17/70/61/1086177061.db2.gz GRBPABGVWWTZGA-UHFFFAOYSA-N 0 0 310.353 3.315 20 10 DGCDRN C/C(=C/c1cccnc1)C(=O)N1C[C@@H](C)Oc2cc(F)ccc21 ZINC001126538937 1086296998 /nfs/dbraw/zinc/29/69/98/1086296998.db2.gz ZBSFYDVJLSFUMB-LLBKUYECSA-N 0 0 312.344 3.438 20 10 DGCDRN C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c3cccnc3c2[O-])CCO1 ZINC001168079079 1086747124 /nfs/dbraw/zinc/74/71/24/1086747124.db2.gz OLAVPZSHPSEZTN-JQWIXIFHSA-N 0 0 306.793 3.251 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(N[C@H]2C[C@@H](S(C)(=O)=O)C2)cc1 ZINC001168251677 1087073616 /nfs/dbraw/zinc/07/36/16/1087073616.db2.gz RPIYRRMUVPTCKY-WOVMCDHWSA-N 0 0 318.442 3.082 20 10 DGCDRN COc1cccc(C[N@H+](C)Cc2cc(F)c(F)cc2[O-])c1OC ZINC001142527161 1087277975 /nfs/dbraw/zinc/27/79/75/1087277975.db2.gz MPSNURUAEBEWSE-UHFFFAOYSA-N 0 0 323.339 3.320 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)CC1(O)CCC1 ZINC001142624579 1087383824 /nfs/dbraw/zinc/38/38/24/1087383824.db2.gz YCMSPPJMVTXNRP-KRWDZBQOSA-N 0 0 317.429 3.054 20 10 DGCDRN CSc1cccc(NC(=O)NCc2cccc(Cl)c2O)n1 ZINC001204913353 1087424531 /nfs/dbraw/zinc/42/45/31/1087424531.db2.gz DIOTYXMMRUVVLZ-UHFFFAOYSA-N 0 0 323.805 3.484 20 10 DGCDRN C[C@@H](NC(=O)c1ccc2ccc(O)cc2c1O)c1ccccc1O ZINC001151885665 1087806331 /nfs/dbraw/zinc/80/63/31/1087806331.db2.gz BBPFPMXDYGHPJQ-LLVKDONJSA-N 0 0 323.348 3.448 20 10 DGCDRN COc1ccc2[nH]c(C(=O)N[C@H](C)c3ccccc3O)cc2c1 ZINC001151885858 1087809005 /nfs/dbraw/zinc/80/90/05/1087809005.db2.gz KQVUXDHZIDKQMD-LLVKDONJSA-N 0 0 310.353 3.373 20 10 DGCDRN C[C@@H](NC(=O)c1ccncc1Br)c1ccccc1O ZINC001151886058 1087809211 /nfs/dbraw/zinc/80/92/11/1087809211.db2.gz SVXLZDUHJSFPPC-SECBINFHSA-N 0 0 321.174 3.041 20 10 DGCDRN C[C@H](NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1ccccc1O ZINC001151892665 1087814235 /nfs/dbraw/zinc/81/42/35/1087814235.db2.gz VJXOAEGNRYOCSQ-MGPLVRAMSA-N 0 0 317.772 3.227 20 10 DGCDRN COc1csc(C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000176548278 1087918370 /nfs/dbraw/zinc/91/83/70/1087918370.db2.gz CIBITNFJSGKDIQ-UHFFFAOYSA-N 0 0 316.426 3.287 20 10 DGCDRN Oc1ccc(CNc2cc3ccc(Cl)nc3cn2)cc1O ZINC001158996145 1088125309 /nfs/dbraw/zinc/12/53/09/1088125309.db2.gz XLZUMUZAMNYHAM-UHFFFAOYSA-N 0 0 301.733 3.307 20 10 DGCDRN CC(C)(C)c1nc2[nH]ccc2c(NCc2ccc(O)c(O)c2)n1 ZINC001158997851 1088125386 /nfs/dbraw/zinc/12/53/86/1088125386.db2.gz QTUJFTUIFLIVML-UHFFFAOYSA-N 0 0 312.373 3.279 20 10 DGCDRN Oc1ccc(CNc2ccnc(Cc3ccccc3)n2)cc1O ZINC001158997716 1088126599 /nfs/dbraw/zinc/12/65/99/1088126599.db2.gz OATMBKURWSTMEE-UHFFFAOYSA-N 0 0 307.353 3.091 20 10 DGCDRN Cc1ccc(Cl)nc1C(F)(F)NCc1ccc(O)c(O)c1 ZINC001158995515 1088126671 /nfs/dbraw/zinc/12/66/71/1088126671.db2.gz IAQHQVQCKWNWRM-UHFFFAOYSA-N 0 0 314.719 3.294 20 10 DGCDRN CC(=O)c1ccc(C(=O)NCc2cccc(Cl)c2O)cc1 ZINC001159033757 1088152214 /nfs/dbraw/zinc/15/22/14/1088152214.db2.gz NPFRNURMUXCSLN-UHFFFAOYSA-N 0 0 303.745 3.178 20 10 DGCDRN CCOc1ccc(N2CCN(Cc3nc(C)cs3)CC2)cc1 ZINC001204381169 1088194381 /nfs/dbraw/zinc/19/43/81/1088194381.db2.gz XNIVHVWOPSDVEV-UHFFFAOYSA-N 0 0 317.458 3.172 20 10 DGCDRN Cc1cccnc1[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001159270929 1088265681 /nfs/dbraw/zinc/26/56/81/1088265681.db2.gz KSGPHTTZGNFLPH-NSHDSACASA-N 0 0 311.345 3.043 20 10 DGCDRN COCC[N@H+](Cc1cc(F)cc(Br)c1[O-])C(C)C ZINC001235302960 1088304431 /nfs/dbraw/zinc/30/44/31/1088304431.db2.gz XGVBBNFQWKYWOL-UHFFFAOYSA-N 0 0 320.202 3.151 20 10 DGCDRN O=C(NCc1cccc(O)c1O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001153798614 1088363653 /nfs/dbraw/zinc/36/36/53/1088363653.db2.gz SEHSRBYNKKJXPH-UONOGXRCSA-N 0 0 317.772 3.171 20 10 DGCDRN Cc1ccc2c(c1Nc1cc[nH]n1)C(=O)c1ccccc1C2=O ZINC001159557298 1088396715 /nfs/dbraw/zinc/39/67/15/1088396715.db2.gz HSIZSJNLODISCM-UHFFFAOYSA-N 0 0 303.321 3.237 20 10 DGCDRN CSCc1ccccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001153923553 1088409947 /nfs/dbraw/zinc/40/99/47/1088409947.db2.gz ASMRGQSZHDXDBO-UHFFFAOYSA-N 0 0 303.383 3.142 20 10 DGCDRN Cc1cc(F)ccc1[C@@H](C)NC(=O)c1c(F)ccc(O)c1O ZINC001649025841 1088429729 /nfs/dbraw/zinc/42/97/29/1088429729.db2.gz CYEGRCFOGYLPSZ-SECBINFHSA-N 0 0 307.296 3.175 20 10 DGCDRN Nc1ccc(NCc2cc(Cl)c3cccnc3c2O)cn1 ZINC001168522846 1088533663 /nfs/dbraw/zinc/53/36/63/1088533663.db2.gz JUESLNIHVLQABE-UHFFFAOYSA-N 0 0 300.749 3.183 20 10 DGCDRN Cc1ncc(F)c(NCc2cc(Br)ccc2O)n1 ZINC001160012565 1088602603 /nfs/dbraw/zinc/60/26/03/1088602603.db2.gz POZNKICEHRWIRV-UHFFFAOYSA-N 0 0 312.142 3.004 20 10 DGCDRN Cc1ccnc(NCc2cc(Cl)c3cccnc3c2O)n1 ZINC001168524038 1088613400 /nfs/dbraw/zinc/61/34/00/1088613400.db2.gz VGGJESSZPNRYDA-UHFFFAOYSA-N 0 0 300.749 3.304 20 10 DGCDRN Cc1noc2ncnc(NCc3cc4ccccc4cc3O)c12 ZINC001160206207 1088697795 /nfs/dbraw/zinc/69/77/95/1088697795.db2.gz HQBJNIXSRFXFRB-UHFFFAOYSA-N 0 0 306.325 3.397 20 10 DGCDRN C[C@@H]1C(=O)Nc2ncnc(NCc3cc4ccccc4cc3O)c21 ZINC001160207504 1088697806 /nfs/dbraw/zinc/69/78/06/1088697806.db2.gz STGGNXMKVJTSGN-JTQLQIEISA-N 0 0 320.352 3.003 20 10 DGCDRN Oc1cc2ccccc2cc1CNc1ncc2cccnc2n1 ZINC001160207929 1088699834 /nfs/dbraw/zinc/69/98/34/1088699834.db2.gz WZQYVFUWGHCLKV-UHFFFAOYSA-N 0 0 302.337 3.496 20 10 DGCDRN [O-][n+]1c(Cl)cccc1NCc1cc2ccccc2cc1O ZINC001160207988 1088699984 /nfs/dbraw/zinc/69/99/84/1088699984.db2.gz ZOOOVZJEAIEVNN-UHFFFAOYSA-N 0 0 300.745 3.444 20 10 DGCDRN Nc1ccc(N2CCc3cc(Br)cc(N)c32)cc1 ZINC001160372481 1088767350 /nfs/dbraw/zinc/76/73/50/1088767350.db2.gz PXYVZJIFVPYCFZ-UHFFFAOYSA-N 0 0 304.191 3.308 20 10 DGCDRN CCN(Cc1ccccc1O)c1nc(Cl)nc2[nH]ccc21 ZINC001154882819 1088807927 /nfs/dbraw/zinc/80/79/27/1088807927.db2.gz YLUFXNRWCXBZLN-UHFFFAOYSA-N 0 0 302.765 3.343 20 10 DGCDRN CCN(Cc1ccccc1O)c1ncc(Cl)cc1[N+](=O)[O-] ZINC001154889849 1088812679 /nfs/dbraw/zinc/81/26/79/1088812679.db2.gz JGLNJRBQURUKQI-UHFFFAOYSA-N 0 0 307.737 3.375 20 10 DGCDRN CCN(Cc1ccccc1C)C(=O)c1c(F)ccc(O)c1O ZINC001160537871 1088861566 /nfs/dbraw/zinc/86/15/66/1088861566.db2.gz FTJHEIOWCCPZQO-UHFFFAOYSA-N 0 0 303.333 3.208 20 10 DGCDRN C[C@H]1Oc2ccccc2[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001160570218 1088879713 /nfs/dbraw/zinc/87/97/13/1088879713.db2.gz BBZRGCJRKILECP-MEBBXXQBSA-N 0 0 324.340 3.101 20 10 DGCDRN C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001160570220 1088881520 /nfs/dbraw/zinc/88/15/20/1088881520.db2.gz BBZRGCJRKILECP-ZUZCIYMTSA-N 0 0 324.340 3.101 20 10 DGCDRN CCOC(=O)/C=C/c1cccnc1NCc1cccc(C)c1O ZINC001160764697 1088947474 /nfs/dbraw/zinc/94/74/74/1088947474.db2.gz LIPWYYAYTWLWHH-MDZDMXLPSA-N 0 0 312.369 3.284 20 10 DGCDRN Cc1cc(C)c(CNc2cc([N+](=O)[O-])c3cc[nH]c3n2)c(O)c1 ZINC001160809858 1088974178 /nfs/dbraw/zinc/97/41/78/1088974178.db2.gz BHDBHNXKMDQONT-UHFFFAOYSA-N 0 0 312.329 3.406 20 10 DGCDRN Cc1cc(C)c(CNc2ncnc3cccc([N+](=O)[O-])c32)c(O)c1 ZINC001160811737 1088977954 /nfs/dbraw/zinc/97/79/54/1088977954.db2.gz VDSHBDBSNTZLNU-UHFFFAOYSA-N 0 0 324.340 3.473 20 10 DGCDRN C[C@H]1CCC[C@@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001155458417 1089120833 /nfs/dbraw/zinc/12/08/33/1089120833.db2.gz PEMPLZFJMXCNOZ-VHSXEESVSA-N 0 0 305.399 3.479 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2cnc3cccc(O)c3c2)c(O)c1 ZINC001155542499 1089152657 /nfs/dbraw/zinc/15/26/57/1089152657.db2.gz ZRCWSIBKVUFSTK-UHFFFAOYSA-N 0 0 322.364 3.193 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1ccccc1OC1CC1 ZINC001156170566 1089416343 /nfs/dbraw/zinc/41/63/43/1089416343.db2.gz QBBATSOMEYUMOH-UHFFFAOYSA-N 0 0 301.317 3.003 20 10 DGCDRN CNc1ccc(C(=O)NCc2c(O)cccc2F)c(Cl)c1 ZINC001156171200 1089416969 /nfs/dbraw/zinc/41/69/69/1089416969.db2.gz XWDQPXJABMKJAQ-UHFFFAOYSA-N 0 0 308.740 3.156 20 10 DGCDRN Cc1cc(F)c(CNC(=O)/C=C\c2ccc(O)c(O)c2)c(F)c1 ZINC001156670099 1089632458 /nfs/dbraw/zinc/63/24/58/1089632458.db2.gz PCSQKBYYIWYWOI-HYXAFXHYSA-N 0 0 319.307 3.014 20 10 DGCDRN CC[C@@H](C(=O)NCc1ccc(O)cc1O)c1ccc(F)cc1 ZINC001162278298 1089651037 /nfs/dbraw/zinc/65/10/37/1089651037.db2.gz GKVOTFPTBSUDFH-OAHLLOKOSA-N 0 0 303.333 3.047 20 10 DGCDRN C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCc2c(O)cccc2O)o1 ZINC001156880989 1089729783 /nfs/dbraw/zinc/72/97/83/1089729783.db2.gz KXXYHKQSDVTJHY-DGCLKSJQSA-N 0 0 315.369 3.063 20 10 DGCDRN CC(C)(C)Cc1ncc(C(=O)NCc2c(O)cccc2O)s1 ZINC001156885530 1089730850 /nfs/dbraw/zinc/73/08/50/1089730850.db2.gz IIEZDZDLZSYODT-UHFFFAOYSA-N 0 0 320.414 3.073 20 10 DGCDRN CN(C)c1ccc(CN(C)c2nc(Cl)nc3cc[nH]c32)cc1 ZINC001156921503 1089745676 /nfs/dbraw/zinc/74/56/76/1089745676.db2.gz YEFLPLVIOWGXOC-UHFFFAOYSA-N 0 0 315.808 3.314 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)c1ccc(C(F)F)o1 ZINC001162612365 1089828862 /nfs/dbraw/zinc/82/88/62/1089828862.db2.gz ICKZQTCJSHQJRX-UHFFFAOYSA-N 0 0 318.279 3.401 20 10 DGCDRN Cc1cccc2ccc(NCCc3cc(O)c(O)cc3O)nc12 ZINC001157239962 1089890270 /nfs/dbraw/zinc/89/02/70/1089890270.db2.gz NQIGUGDCZUFWES-UHFFFAOYSA-N 0 0 310.353 3.315 20 10 DGCDRN CCOC(=O)c1cnc(NCc2ccc(N)cc2)c(Cl)c1 ZINC001162786459 1089957649 /nfs/dbraw/zinc/95/76/49/1089957649.db2.gz WJTVUZDVXIOORR-UHFFFAOYSA-N 0 0 305.765 3.106 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2Nc1ncnc2c1CNC2 ZINC001163486363 1090197729 /nfs/dbraw/zinc/19/77/29/1090197729.db2.gz IPNQDNAUDWZBDM-QGZVFWFLSA-N 0 0 324.428 3.138 20 10 DGCDRN O=[N+]([O-])c1cc2c(nc1NCc1c(O)cccc1F)CCCC2 ZINC001164185393 1090366251 /nfs/dbraw/zinc/36/62/51/1090366251.db2.gz FUISTFSUCCUOKW-UHFFFAOYSA-N 0 0 317.320 3.325 20 10 DGCDRN CC(C)(C)OC(=O)N1C=C(Nc2cccc(O)c2O)CCC1 ZINC001213053587 1090468069 /nfs/dbraw/zinc/46/80/69/1090468069.db2.gz GNWZVWPXSCBOFE-UHFFFAOYSA-N 0 0 306.362 3.382 20 10 DGCDRN Cc1cc(Br)cc(-c2noc(-c3csnn3)n2)c1 ZINC001212361852 1090575398 /nfs/dbraw/zinc/57/53/98/1090575398.db2.gz HMRFZHZTFREUGQ-UHFFFAOYSA-N 0 0 323.175 3.326 20 10 DGCDRN Cn1c(CSc2ncc(Cl)s2)nc2ccccc2c1=O ZINC001166587549 1090624187 /nfs/dbraw/zinc/62/41/87/1090624187.db2.gz QCSGKCREGVCCQO-UHFFFAOYSA-N 0 0 323.830 3.336 20 10 DGCDRN CC(C)Oc1ncc(Cl)cc1N(CCO)c1ccc(N)cc1 ZINC001203314060 1090719406 /nfs/dbraw/zinc/71/94/06/1090719406.db2.gz NFTGXWIONXNSFX-UHFFFAOYSA-N 0 0 321.808 3.235 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@](O)(CF)CC1 ZINC001203574201 1090759784 /nfs/dbraw/zinc/75/97/84/1090759784.db2.gz PLXSSBSMDLNDHX-AWEZNQCLSA-N 0 0 322.207 3.386 20 10 DGCDRN C[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@@]1(C)O ZINC001203574224 1090759844 /nfs/dbraw/zinc/75/98/44/1090759844.db2.gz QHMWEPMDDUFVDC-LKFCYVNXSA-N 0 0 304.217 3.292 20 10 DGCDRN COC(=O)C[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203586176 1090762302 /nfs/dbraw/zinc/76/23/02/1090762302.db2.gz MXPFKKNUMWFWIY-SECBINFHSA-N 0 0 318.200 3.084 20 10 DGCDRN Oc1ccc(Br)cc1CN1CCC(F)(F)[C@H](F)C1 ZINC001203635770 1090770084 /nfs/dbraw/zinc/77/00/84/1090770084.db2.gz FTKUEVTWFDAVPW-LLVKDONJSA-N 0 0 324.140 3.334 20 10 DGCDRN Oc1ccc(Br)cc1CN1CCc2ccncc2C1 ZINC001203645466 1090772587 /nfs/dbraw/zinc/77/25/87/1090772587.db2.gz KJELILHKJIRMDS-UHFFFAOYSA-N 0 0 319.202 3.108 20 10 DGCDRN COc1cc2c(cn1)CCN(Cc1cc(Cl)ccc1O)C2 ZINC001203665641 1090775756 /nfs/dbraw/zinc/77/57/56/1090775756.db2.gz QUYBNSVGKYNAGG-UHFFFAOYSA-N 0 0 304.777 3.008 20 10 DGCDRN CN(Cc1nc2ccccc2s1)Cc1ccc(O)c(O)c1 ZINC001203874916 1090825619 /nfs/dbraw/zinc/82/56/19/1090825619.db2.gz FBYIJUAXTUBHGB-UHFFFAOYSA-N 0 0 300.383 3.340 20 10 DGCDRN c1c(NCc2ccc(N3CCCC3)cc2)nnn1-c1ccccc1 ZINC001204120693 1090904846 /nfs/dbraw/zinc/90/48/46/1090904846.db2.gz SCCOMQMYKQCVDN-UHFFFAOYSA-N 0 0 319.412 3.480 20 10 DGCDRN Oc1ccc(CN2Cc3cccc(Br)c3C2)c(O)c1 ZINC001204278687 1090939143 /nfs/dbraw/zinc/93/91/43/1090939143.db2.gz IGKZXTLITVPOPE-UHFFFAOYSA-N 0 0 320.186 3.376 20 10 DGCDRN C[C@@]1(CO)CC(F)(F)CN1Cc1ccc(N2CCCCC2)cc1 ZINC001138215564 1091118896 /nfs/dbraw/zinc/11/88/96/1091118896.db2.gz JSXUVTZCQYKODH-KRWDZBQOSA-N 0 0 324.415 3.269 20 10 DGCDRN Cc1c(C[N@@H+]2CCC[C@@]3(CCC(=O)O3)C2)c2ccccc2n1C ZINC001138259143 1091128365 /nfs/dbraw/zinc/12/83/65/1091128365.db2.gz CIIWWNVGUNJJKS-LJQANCHMSA-N 0 0 312.413 3.158 20 10 DGCDRN CN(Cc1cc2c3c(c1O)CCCN3CCC2)CC(F)(F)F ZINC001138338191 1091147241 /nfs/dbraw/zinc/14/72/41/1091147241.db2.gz MMPABMWIFYDHIX-UHFFFAOYSA-N 0 0 314.351 3.085 20 10 DGCDRN CN1CCCc2cc(CN3CCO[C@H](c4ccncc4)C3)ccc21 ZINC001138356077 1091150597 /nfs/dbraw/zinc/15/05/97/1091150597.db2.gz GWEAFVMWPXSXKQ-FQEVSTJZSA-N 0 0 323.440 3.038 20 10 DGCDRN CC(C)(C)n1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)cn1 ZINC001292447765 1091158682 /nfs/dbraw/zinc/15/86/82/1091158682.db2.gz YMRBVNXNLLVDKG-UHFFFAOYSA-N 0 0 314.349 3.053 20 10 DGCDRN CCN(CC)c1ccc(CN2CCC(=O)[C@H](F)CC2)c(OC)c1 ZINC001138386846 1091160906 /nfs/dbraw/zinc/16/09/06/1091160906.db2.gz XXUIQRKKTLTCNB-MRXNPFEDSA-N 0 0 322.424 3.044 20 10 DGCDRN CCN(CC)c1ccc(CN2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC001138388524 1091162698 /nfs/dbraw/zinc/16/26/98/1091162698.db2.gz WNQFNRHERVRSKW-GASCZTMLSA-N 0 0 306.450 3.151 20 10 DGCDRN CCN(CC)c1ccc(CN2CCn3cccc3C2)c(OC)c1 ZINC001138389876 1091162714 /nfs/dbraw/zinc/16/27/14/1091162714.db2.gz SSTRDKDSEQUNIC-UHFFFAOYSA-N 0 0 313.445 3.359 20 10 DGCDRN CCN(CC)c1ccc(CN2CCOCC23CCC3)c(OC)c1 ZINC001138388932 1091163192 /nfs/dbraw/zinc/16/31/92/1091163192.db2.gz BBGALPUVQQELTF-UHFFFAOYSA-N 0 0 318.461 3.296 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ccc([S@@](C)=O)cc1 ZINC001118010391 1091171999 /nfs/dbraw/zinc/17/19/99/1091171999.db2.gz CHXTUOJCFABGFD-OAQYLSRUSA-N 0 0 302.443 3.411 20 10 DGCDRN COc1ccc(N(C)C[C@@H]2C[C@H]2c2cnn(C)c2)cc1Cl ZINC001205360062 1091200227 /nfs/dbraw/zinc/20/02/27/1091200227.db2.gz LRUQXJBJHPNFQX-SMDDNHRTSA-N 0 0 305.809 3.322 20 10 DGCDRN CCc1ccc([C@@H](O)C[NH2+]Cc2cc(F)c(F)cc2[O-])cc1 ZINC001205747484 1091332113 /nfs/dbraw/zinc/33/21/13/1091332113.db2.gz KIADVVWBLRCXPV-KRWDZBQOSA-N 0 0 307.340 3.056 20 10 DGCDRN CCO[C@@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001294375955 1091384326 /nfs/dbraw/zinc/38/43/26/1091384326.db2.gz ILORPHSGRJQISP-AWEZNQCLSA-N 0 0 320.393 3.030 20 10 DGCDRN C[C@H]1[C@H](C[NH3+])CCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC001205902235 1091398963 /nfs/dbraw/zinc/39/89/63/1091398963.db2.gz JCTYLNGZWTUOPD-UWVGGRQHSA-N 0 0 303.233 3.258 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Cc1cncc2ccccc21 ZINC001294673276 1091427120 /nfs/dbraw/zinc/42/71/20/1091427120.db2.gz AOILMRLRHIAEPQ-UHFFFAOYSA-N 0 0 306.365 3.142 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC001139126592 1091457540 /nfs/dbraw/zinc/45/75/40/1091457540.db2.gz LRAPVGWJGGOVBT-KBPBESRZSA-N 0 0 313.397 3.429 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCC[C@@H](F)CC1 ZINC001139126685 1091457552 /nfs/dbraw/zinc/45/75/52/1091457552.db2.gz MSSXJOGOMCNSHI-GFCCVEGCSA-N 0 0 305.349 3.131 20 10 DGCDRN CSc1ccccc1[C@H](C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001139128517 1091459184 /nfs/dbraw/zinc/45/91/84/1091459184.db2.gz SIADDSPDFHXVEV-NSHDSACASA-N 0 0 317.410 3.240 20 10 DGCDRN [O-]c1c(C[NH2+]C[C@@H]2CSc3ccccc3O2)ccc(F)c1F ZINC001206446930 1091633459 /nfs/dbraw/zinc/63/34/59/1091633459.db2.gz DRGNFUFVIPXYHJ-LLVKDONJSA-N 0 0 323.364 3.313 20 10 DGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC001139689166 1091642815 /nfs/dbraw/zinc/64/28/15/1091642815.db2.gz DLOYMAKGMFBBOM-ZDUSSCGKSA-N 0 0 323.314 3.463 20 10 DGCDRN Cc1cccnc1O[C@H]1CC[N@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139688932 1091643272 /nfs/dbraw/zinc/64/32/72/1091643272.db2.gz DBNSGYJVELVUNK-LBPRGKRZSA-N 0 0 320.339 3.027 20 10 DGCDRN C[C@@H]1C(=O)CC[N@H+](Cc2c(F)ccc(F)c2[O-])C12CCCC2 ZINC001139688797 1091643805 /nfs/dbraw/zinc/64/38/05/1091643805.db2.gz ATGOLTZQOKIYHP-LLVKDONJSA-N 0 0 309.356 3.394 20 10 DGCDRN CC(C)(C)NS(=O)(=O)c1ccccc1Nc1ccc(N)cc1 ZINC001202978948 1091699105 /nfs/dbraw/zinc/69/91/05/1091699105.db2.gz PUVQAHPQUKXJHY-UHFFFAOYSA-N 0 0 319.430 3.089 20 10 DGCDRN CC(C)c1noc([C@H]2CCC[N@H+](Cc3cc(F)ccc3O)C2)n1 ZINC001140059179 1091751784 /nfs/dbraw/zinc/75/17/84/1091751784.db2.gz XJBLDKNFVZBVDI-LBPRGKRZSA-N 0 0 319.380 3.417 20 10 DGCDRN CC(=O)[C@@H]1CCCCN1Cc1c(O)cccc1Br ZINC001140103953 1091769500 /nfs/dbraw/zinc/76/95/00/1091769500.db2.gz VNQNGDRDGZVHDI-ZDUSSCGKSA-N 0 0 312.207 3.098 20 10 DGCDRN Cc1nc([C@H]2COCCN2Cc2c(C)ccc(C)c2O)cs1 ZINC001140179477 1091791980 /nfs/dbraw/zinc/79/19/80/1091791980.db2.gz DHPRFNXNEXZZTI-MRXNPFEDSA-N 0 0 318.442 3.347 20 10 DGCDRN Cc1nc([C@@H]2CCCCN2Cc2c(C)ccc(C)c2O)no1 ZINC001140182483 1091793923 /nfs/dbraw/zinc/79/39/23/1091793923.db2.gz RMDUMEXQFJKCAW-HNNXBMFYSA-N 0 0 301.390 3.428 20 10 DGCDRN O=C1c2ccccc2[C@@H]2C[N@H+](Cc3c(O)cccc3Cl)C[C@H]12 ZINC001140337758 1091832567 /nfs/dbraw/zinc/83/25/67/1091832567.db2.gz CQJWKQGDLSUZOI-KBPBESRZSA-N 0 0 313.784 3.458 20 10 DGCDRN OC[C@@H]1CCC[C@@H](C(F)(F)F)N1Cc1c(O)cccc1Cl ZINC001140337788 1091833284 /nfs/dbraw/zinc/83/32/84/1091833284.db2.gz DYUYTJRSIDYQQW-ZANVPECISA-N 0 0 323.742 3.323 20 10 DGCDRN Oc1cccc(Cl)c1C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC001140338084 1091833423 /nfs/dbraw/zinc/83/34/23/1091833423.db2.gz UIDGYZHAVDHSHI-UHFFFAOYSA-N 0 0 317.820 3.153 20 10 DGCDRN Oc1cccc(Cl)c1CN1CC(Oc2ccc(F)cc2)C1 ZINC001140341358 1091835835 /nfs/dbraw/zinc/83/58/35/1091835835.db2.gz JQWHTCMIFNGXCI-UHFFFAOYSA-N 0 0 307.752 3.448 20 10 DGCDRN Oc1cccc(Cl)c1C[N@@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001140341904 1091836240 /nfs/dbraw/zinc/83/62/40/1091836240.db2.gz JWVFRMKFEIBUOR-ZDUSSCGKSA-N 0 0 303.736 3.046 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(CC(C)C)c[nH]1 ZINC001297562676 1091920154 /nfs/dbraw/zinc/92/01/54/1091920154.db2.gz OWERGPUYYZVNEJ-UHFFFAOYSA-N 0 0 321.417 3.335 20 10 DGCDRN Nc1ccc(Cl)cc1CN1CCCc2cc(O)c(O)cc2C1 ZINC001140717548 1091971896 /nfs/dbraw/zinc/97/18/96/1091971896.db2.gz CMPRNOBZCJADDA-UHFFFAOYSA-N 0 0 318.804 3.282 20 10 DGCDRN COC(=O)[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2Cl)[C@H]1C ZINC001140925286 1092065676 /nfs/dbraw/zinc/06/56/76/1092065676.db2.gz QWVMSWBAZWRENS-WFASDCNBSA-N 0 0 324.852 3.180 20 10 DGCDRN Cc1ccc(CN2CC[NH+](Cc3ccc(C)cc3O)CC2)cc1 ZINC001140950350 1092078057 /nfs/dbraw/zinc/07/80/57/1092078057.db2.gz ZBXLNOORFGXQPL-UHFFFAOYSA-N 0 0 310.441 3.327 20 10 DGCDRN COC(=O)CC[N@H+](Cc1ccccc1)Cc1ccc(C)cc1O ZINC001140950200 1092078134 /nfs/dbraw/zinc/07/81/34/1092078134.db2.gz VGLQZERDZCMZMC-UHFFFAOYSA-N 0 0 313.397 3.266 20 10 DGCDRN Cc1ccc(CN2CC[C@H](N3CCCCC3)C(F)(F)C2)c(O)c1 ZINC001140953817 1092079821 /nfs/dbraw/zinc/07/98/21/1092079821.db2.gz HDDMBMLUJBWNOL-KRWDZBQOSA-N 0 0 324.415 3.396 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC001207763462 1092092892 /nfs/dbraw/zinc/09/28/92/1092092892.db2.gz QBMGOVUXHMHJIJ-SNVBAGLBSA-N 0 0 310.369 3.192 20 10 DGCDRN CCCCc1nc(CN2CCCc3cc(O)c(O)cc3C2)c[nH]1 ZINC001141071285 1092127478 /nfs/dbraw/zinc/12/74/78/1092127478.db2.gz IOYKWZWFIFBGGD-UHFFFAOYSA-N 0 0 315.417 3.112 20 10 DGCDRN CN1CCOc2cc(CN3CCC[C@H]3C(F)(F)F)ccc21 ZINC001141141273 1092149149 /nfs/dbraw/zinc/14/91/49/1092149149.db2.gz WMKFQZBDLJLWGQ-AWEZNQCLSA-N 0 0 300.324 3.042 20 10 DGCDRN COc1nccc2c(NC(=O)c3ccc(C)c(O)c3O)cccc21 ZINC001299106745 1092156201 /nfs/dbraw/zinc/15/62/01/1092156201.db2.gz SBVGWRYPXLKJMD-UHFFFAOYSA-N 0 0 324.336 3.215 20 10 DGCDRN COc1cc(Cl)ncc1CN1CCc2cccc(O)c2C1 ZINC001141344850 1092212931 /nfs/dbraw/zinc/21/29/31/1092212931.db2.gz QKMMAAXHQNSMDH-UHFFFAOYSA-N 0 0 304.777 3.008 20 10 DGCDRN C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC001141900233 1092358590 /nfs/dbraw/zinc/35/85/90/1092358590.db2.gz OJLWWCHBGZBSJH-JTQLQIEISA-N 0 0 305.761 3.171 20 10 DGCDRN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CCC[C@@H](C)C1 ZINC001142302194 1092464305 /nfs/dbraw/zinc/46/43/05/1092464305.db2.gz SAVWIXSXXFKIHG-BAWJPVEYSA-N 0 0 303.402 3.442 20 10 DGCDRN CCSc1ccccc1C(=O)NCc1ccc(O)cc1O ZINC001142531222 1092496190 /nfs/dbraw/zinc/49/61/90/1092496190.db2.gz YPFOMLXRDMTQQG-UHFFFAOYSA-N 0 0 303.383 3.140 20 10 DGCDRN Cc1cnccc1O[C@H]1CC[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142531340 1092497286 /nfs/dbraw/zinc/49/72/86/1092497286.db2.gz VFQQKODKACFSAR-ZDUSSCGKSA-N 0 0 320.339 3.027 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)C1CC(F)C1 ZINC001142580906 1092508582 /nfs/dbraw/zinc/50/85/82/1092508582.db2.gz GZZOVVOOELJIFA-ZEPSKSRBSA-N 0 0 305.393 3.497 20 10 DGCDRN C/C(=C/c1ccncc1)C(=O)NCc1ccc2cccnc2c1O ZINC001142731263 1092539308 /nfs/dbraw/zinc/53/93/08/1092539308.db2.gz QTXPKNYBQXWEQV-QBFSEMIESA-N 0 0 319.364 3.055 20 10 DGCDRN CC(C)(C)c1cccc(CN2CCO[C@@H](C(F)(F)F)C2)c1O ZINC001143112486 1092616205 /nfs/dbraw/zinc/61/62/05/1092616205.db2.gz SUTROUXROMEHBM-CYBMUJFWSA-N 0 0 317.351 3.453 20 10 DGCDRN COc1ccc2c(c1)c(C(=O)NCc1ccccc1O)c(C)n2C ZINC001150536631 1092790076 /nfs/dbraw/zinc/79/00/76/1092790076.db2.gz PFHPEDWEETUPJI-UHFFFAOYSA-N 0 0 324.380 3.131 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCC3(C2)OCCO3)cc1 ZINC001209519208 1092805492 /nfs/dbraw/zinc/80/54/92/1092805492.db2.gz ZCHAFCOHSZWKEA-UHFFFAOYSA-N 0 0 312.413 3.043 20 10 DGCDRN Cc1cc(C(=O)NCc2cccnc2C)c(C)n1-c1ccccn1 ZINC001150729265 1092814018 /nfs/dbraw/zinc/81/40/18/1092814018.db2.gz GTXRTNXLZPBNFW-UHFFFAOYSA-N 0 0 320.396 3.123 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2ccc3oc(=O)ccc3c2)c(O)c1 ZINC001151005255 1092851707 /nfs/dbraw/zinc/85/17/07/1092851707.db2.gz QSVNFDKHPPGLGF-UHFFFAOYSA-N 0 0 323.348 3.045 20 10 DGCDRN COC(=O)c1cnc(Cl)cc1Nc1ccc2c(c1)OCCN2 ZINC001209714098 1092889095 /nfs/dbraw/zinc/88/90/95/1092889095.db2.gz OPQLPJUXJVVQRM-UHFFFAOYSA-N 0 0 319.748 3.070 20 10 DGCDRN CC(C)NC(=O)c1ccc(Nc2ccc3c(c2)OCCN3)cc1 ZINC001209766233 1092911864 /nfs/dbraw/zinc/91/18/64/1092911864.db2.gz JXIKFSOJDCPQLQ-UHFFFAOYSA-N 0 0 311.385 3.373 20 10 DGCDRN CCN1Cc2ccc(Nc3ccc4c(c3)OCCN4)cc2C1=O ZINC001209766708 1092912192 /nfs/dbraw/zinc/91/21/92/1092912192.db2.gz DDEGVMNBKASWKX-UHFFFAOYSA-N 0 0 309.369 3.210 20 10 DGCDRN Fc1ccc(OC2COC2)c(Nc2ccc3c(c2)OCCN3)c1 ZINC001209789191 1092923083 /nfs/dbraw/zinc/92/30/83/1092923083.db2.gz MJJNKOIZNLBMQO-UHFFFAOYSA-N 0 0 316.332 3.151 20 10 DGCDRN CC1(C)CNC(=O)c2ccc(Nc3ccc4c(c3)OCCN4)cc21 ZINC001209789894 1092924177 /nfs/dbraw/zinc/92/41/77/1092924177.db2.gz UZOIRDCRNGDBNI-UHFFFAOYSA-N 0 0 323.396 3.256 20 10 DGCDRN OCc1cc(-c2ccc(Nc3ccc4c(c3)OCCN4)cc2)no1 ZINC001209792319 1092924782 /nfs/dbraw/zinc/92/47/82/1092924782.db2.gz MONOPIZPVJJNEM-UHFFFAOYSA-N 0 0 323.352 3.382 20 10 DGCDRN COC(=O)c1cccc(Nc2ccc3c(c2)OCCN3)c1OC ZINC001209792856 1092925335 /nfs/dbraw/zinc/92/53/35/1092925335.db2.gz WGWDLELSDAEFDU-UHFFFAOYSA-N 0 0 314.341 3.030 20 10 DGCDRN COC(=O)[C@H]1Cc2cccc(Nc3ccc4c(c3)OCCN4)c2C1 ZINC001209792316 1092925356 /nfs/dbraw/zinc/92/53/56/1092925356.db2.gz MMEREOOYJQGUNT-ZDUSSCGKSA-N 0 0 324.380 3.122 20 10 DGCDRN CCOc1ccc(N(CCO)c2ccc(N)cc2)c(Cl)c1 ZINC001209895212 1092969961 /nfs/dbraw/zinc/96/99/61/1092969961.db2.gz NRGWNWCIPUUFMA-UHFFFAOYSA-N 0 0 306.793 3.451 20 10 DGCDRN [O-]c1c(Cl)cc(F)cc1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC001210265892 1093101751 /nfs/dbraw/zinc/10/17/51/1093101751.db2.gz BPDFSXCJELWRKU-INIZCTEOSA-N 0 0 320.795 3.331 20 10 DGCDRN Cn1ccc(Nc2ccc(NC(=O)Nc3ccc(N)cc3)cc2)n1 ZINC001210358239 1093137252 /nfs/dbraw/zinc/13/72/52/1093137252.db2.gz QNOCCPGHFGMDNU-UHFFFAOYSA-N 0 0 322.372 3.390 20 10 DGCDRN CN(C1=CCCCCCC1)S(=O)(=O)Cc1ccc(N)cc1 ZINC001210448630 1093169385 /nfs/dbraw/zinc/16/93/85/1093169385.db2.gz MQDCQKKJBJPLGU-UHFFFAOYSA-N 0 0 308.447 3.269 20 10 DGCDRN CC(=O)c1cc(Nc2cc(Br)c(C)cc2O)ccn1 ZINC001210594815 1093221528 /nfs/dbraw/zinc/22/15/28/1093221528.db2.gz FPXDKDNVZDLYMM-UHFFFAOYSA-N 0 0 321.174 3.226 20 10 DGCDRN Oc1cccc(-c2nc(-c3cc(F)c(F)cc3F)no2)c1O ZINC001215143572 1093926103 /nfs/dbraw/zinc/92/61/03/1093926103.db2.gz CGTFZQIJMDOZNG-UHFFFAOYSA-N 0 0 308.215 3.232 20 10 DGCDRN Cc1cc(F)c(-c2noc(-c3cccc(O)c3O)n2)cc1F ZINC001215145875 1093927012 /nfs/dbraw/zinc/92/70/12/1093927012.db2.gz OGVKXKNHCDNGEP-UHFFFAOYSA-N 0 0 304.252 3.401 20 10 DGCDRN Oc1ccc(-c2nc(-c3ccc(Cl)c(F)c3)no2)c(O)c1O ZINC001215325425 1093960605 /nfs/dbraw/zinc/96/06/05/1093960605.db2.gz RVZDZWORAYUGBS-UHFFFAOYSA-N 0 0 322.679 3.313 20 10 DGCDRN Cc1ccc(Cl)cc1-c1noc(-c2cc(O)c(O)c(O)c2)n1 ZINC001215327761 1093961377 /nfs/dbraw/zinc/96/13/77/1093961377.db2.gz RPTVZLYVXOQESJ-UHFFFAOYSA-N 0 0 318.716 3.482 20 10 DGCDRN Oc1cc(-c2nc(-c3cccc4ccoc43)no2)cc(O)c1O ZINC001215327788 1093961663 /nfs/dbraw/zinc/96/16/63/1093961663.db2.gz SYMSHEQYLRXHBB-UHFFFAOYSA-N 0 0 310.265 3.267 20 10 DGCDRN Oc1cc(-c2nc(-c3ccc4ncccc4c3)no2)cc(O)c1O ZINC001215327679 1093961742 /nfs/dbraw/zinc/96/17/42/1093961742.db2.gz NUFCJYBRICLITL-UHFFFAOYSA-N 0 0 321.292 3.069 20 10 DGCDRN Cn1ccc2ccc(-c3noc(-c4cc(O)c(O)c(O)c4)n3)cc21 ZINC001215327425 1093961858 /nfs/dbraw/zinc/96/18/58/1093961858.db2.gz ALYIWLAORAKWFQ-UHFFFAOYSA-N 0 0 323.308 3.012 20 10 DGCDRN Cc1cc(S(=O)(=O)Nc2ccc(O)c(C(C)C)c2)ccc1N ZINC001215847646 1094072892 /nfs/dbraw/zinc/07/28/92/1094072892.db2.gz ZGPFPXLBCRLTEU-UHFFFAOYSA-N 0 0 320.414 3.207 20 10 DGCDRN COc1ccc2nccc(Nc3c(O)cccc3Cl)c2n1 ZINC001215984128 1094099094 /nfs/dbraw/zinc/09/90/94/1094099094.db2.gz AWHHCRBRYHCVKJ-UHFFFAOYSA-N 0 0 301.733 3.163 20 10 DGCDRN CC(C)c1cc(N(c2ccc(N)cc2)S(C)(=O)=O)ccc1N ZINC001216047840 1094112307 /nfs/dbraw/zinc/11/23/07/1094112307.db2.gz IBPVAPIMLOCCEH-UHFFFAOYSA-N 0 0 319.430 3.072 20 10 DGCDRN Nc1ccc(N(CCO)c2cccc(-c3ccncc3)c2)cc1 ZINC001216147215 1094134243 /nfs/dbraw/zinc/13/42/43/1094134243.db2.gz YGTFVNBRBUXHMI-UHFFFAOYSA-N 0 0 305.381 3.461 20 10 DGCDRN CC[C@@H]1CO[C@@H](CC)CN1Cc1cc(F)cc(C(C)=O)c1O ZINC000403837165 1094187259 /nfs/dbraw/zinc/18/72/59/1094187259.db2.gz CAEWWYBDAOAVNB-CABCVRRESA-N 0 0 309.381 3.123 20 10 DGCDRN CC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)[C@H](CC)CO1 ZINC000403837167 1094187528 /nfs/dbraw/zinc/18/75/28/1094187528.db2.gz CAEWWYBDAOAVNB-HUUCEWRRSA-N 0 0 309.381 3.123 20 10 DGCDRN COc1cc(-c2nc(-c3ccc(F)c(F)c3)no2)cc(O)c1O ZINC001216944106 1094282644 /nfs/dbraw/zinc/28/26/44/1094282644.db2.gz HSQFRTIFGLBFFW-UHFFFAOYSA-N 0 0 320.251 3.102 20 10 DGCDRN COc1cc(-c2nc(-c3ccccc3Cl)no2)cc(O)c1O ZINC001216944830 1094282748 /nfs/dbraw/zinc/28/27/48/1094282748.db2.gz YZYXVNSAHPZFPZ-UHFFFAOYSA-N 0 0 318.716 3.477 20 10 DGCDRN CC[C@@H](C)[C@H](NC(=O)NCc1c(O)cccc1F)C(F)(F)F ZINC001217096185 1094304708 /nfs/dbraw/zinc/30/47/08/1094304708.db2.gz OVZMKZAHGBJHLK-PELKAZGASA-N 0 0 322.302 3.308 20 10 DGCDRN C[C@@H](NC(=O)c1cccc(O)c1O)c1nc(C(C)(C)C)cs1 ZINC000187077721 1094446780 /nfs/dbraw/zinc/44/67/80/1094446780.db2.gz TXFZVVPOIRIYFC-SECBINFHSA-N 0 0 320.414 3.343 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCCc3occc32)cc1 ZINC001135224005 1094448470 /nfs/dbraw/zinc/44/84/70/1094448470.db2.gz SCQDCFSCQDGFFV-ZDUSSCGKSA-N 0 0 312.329 3.249 20 10 DGCDRN C[C@@H](COCC1CCCCC1)NC(=O)NCc1ccc(N)cc1 ZINC001120559966 1094455291 /nfs/dbraw/zinc/45/52/91/1094455291.db2.gz AJDGTRRNCCIJEE-AWEZNQCLSA-N 0 0 319.449 3.053 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccc(N)cc1 ZINC001120592199 1094465430 /nfs/dbraw/zinc/46/54/30/1094465430.db2.gz RTRQVLQCVGAJTF-UHFFFAOYSA-N 0 0 313.401 3.096 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@@H]1OC ZINC001120734544 1094508059 /nfs/dbraw/zinc/50/80/59/1094508059.db2.gz MENFJPANSZQPIL-RDJZCZTQSA-N 0 0 305.418 3.336 20 10 DGCDRN Cc1ccc(CCCNC(=O)c2ccc(C)c(O)c2O)c(C)c1 ZINC001135668986 1094626789 /nfs/dbraw/zinc/62/67/89/1094626789.db2.gz VNFJQXAETNUTCS-UHFFFAOYSA-N 0 0 313.397 3.386 20 10 DGCDRN COc1ccc(/C(C)=C/C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC001135825530 1094695537 /nfs/dbraw/zinc/69/55/37/1094695537.db2.gz XMJDAQYABLBFMK-FYWRMAATSA-N 0 0 324.424 3.481 20 10 DGCDRN CC[C@@H]1C[C@H](C)CN1c1nnc(C2SC=CC2=O)n1CC ZINC001121668418 1094740355 /nfs/dbraw/zinc/74/03/55/1094740355.db2.gz AUJLZRJYSDRHGI-WDEREUQCSA-N 0 0 306.435 3.357 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2C[C@@H](C)O[C@@H]2C)cc1 ZINC001135946113 1094762439 /nfs/dbraw/zinc/76/24/39/1094762439.db2.gz GJSPYKMHGBXHIZ-IIDMSEBBSA-N 0 0 318.461 3.305 20 10 DGCDRN CS[C@H](C)CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001136025243 1094803475 /nfs/dbraw/zinc/80/34/75/1094803475.db2.gz BTDSXLGANFJFRE-CQSZACIVSA-N 0 0 306.475 3.387 20 10 DGCDRN CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)NCc1ccc(N)cc1 ZINC001337018326 1094818875 /nfs/dbraw/zinc/81/88/75/1094818875.db2.gz KDDCLLPEEIOFLQ-HZPDHXFCSA-N 0 0 319.449 3.004 20 10 DGCDRN Nc1ccc(CNC(=O)NCC[C@@H]2C[C@H]2Cc2ccccc2)cc1 ZINC001337062655 1094837734 /nfs/dbraw/zinc/83/77/34/1094837734.db2.gz OWDRQYLLLHPKRS-QZTJIDSGSA-N 0 0 323.440 3.337 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)Nc1ccc2oc(C3CC3)nc2c1 ZINC001136076722 1094842120 /nfs/dbraw/zinc/84/21/20/1094842120.db2.gz WOOOAQVOTZGYMU-UHFFFAOYSA-N 0 0 324.336 3.298 20 10 DGCDRN C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001337262577 1094912310 /nfs/dbraw/zinc/91/23/10/1094912310.db2.gz LUGXKINFXLSXFM-SECBINFHSA-N 0 0 317.788 3.395 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)Nc1cc2cc[nH]c2cn1 ZINC001219301653 1094959268 /nfs/dbraw/zinc/95/92/68/1094959268.db2.gz CZUSQYNAEDNERV-UHFFFAOYSA-N 0 0 316.748 3.244 20 10 DGCDRN C=C(N)C(=O)N(c1ccc(N)cc1)c1ccc2ccccc2c1N ZINC001219476867 1094982510 /nfs/dbraw/zinc/98/25/10/1094982510.db2.gz MUXBELOLMTUPOX-UHFFFAOYSA-N 0 0 318.380 3.141 20 10 DGCDRN Cc1occc1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001136486053 1095052978 /nfs/dbraw/zinc/05/29/78/1095052978.db2.gz WTXVQEQTPBMAEM-UHFFFAOYSA-N 0 0 300.318 3.023 20 10 DGCDRN COc1cccc(CNC(=O)Nc2cc(C)nc(Cl)c2)c1O ZINC001220182172 1095062387 /nfs/dbraw/zinc/06/23/87/1095062387.db2.gz PMRPZJODMWBVFM-UHFFFAOYSA-N 0 0 321.764 3.079 20 10 DGCDRN Oc1ccc(Br)cc1CNc1ccc(Cl)nn1 ZINC001160012625 1095074695 /nfs/dbraw/zinc/07/46/95/1095074695.db2.gz RBRMSPRWPLWHCM-UHFFFAOYSA-N 0 0 314.570 3.210 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)CC(=O)OC(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC001337801404 1095099839 /nfs/dbraw/zinc/09/98/39/1095099839.db2.gz SCWZGNBWXBDJML-WDEREUQCSA-N 0 0 324.377 3.071 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCC[C@@H]2OC)cc1F ZINC001136730697 1095139744 /nfs/dbraw/zinc/13/97/44/1095139744.db2.gz YPPDVCQUJUBJOV-YOEHRIQHSA-N 0 0 322.424 3.103 20 10 DGCDRN CCc1ccc(O)c(C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC001136743591 1095141800 /nfs/dbraw/zinc/14/18/00/1095141800.db2.gz WETJLPYEKCDCST-UHFFFAOYSA-N 0 0 312.413 3.259 20 10 DGCDRN C[C@@H](Nc1cccc(C(=O)N(C)C)c1)c1ccc(F)cc1O ZINC000316290105 1095167030 /nfs/dbraw/zinc/16/70/30/1095167030.db2.gz UGDPVLVPSUZSED-LLVKDONJSA-N 0 0 302.349 3.406 20 10 DGCDRN CC(C)C[C@@H]1CCN(c2nnc(C3SC=CC3=O)n2C)C1 ZINC001338085663 1095184308 /nfs/dbraw/zinc/18/43/08/1095184308.db2.gz AQPLNUPHXZHGBO-NSHDSACASA-N 0 0 306.435 3.122 20 10 DGCDRN O=C(NCCC1CC=CC1)NCc1ccc(N2CCCC2)cc1 ZINC001221054859 1095193603 /nfs/dbraw/zinc/19/36/03/1095193603.db2.gz DSILFLSMNCPLAP-UHFFFAOYSA-N 0 0 313.445 3.442 20 10 DGCDRN CCc1ccccc1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001136899610 1095225070 /nfs/dbraw/zinc/22/50/70/1095225070.db2.gz GZKCWNJAQGAHPN-UHFFFAOYSA-N 0 0 310.357 3.341 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCC[C@@H]2C[C@H]2C2CC2)cc1F ZINC001221545676 1095299851 /nfs/dbraw/zinc/29/98/51/1095299851.db2.gz QQDJVFOOYOVTLE-CABCVRRESA-N 0 0 319.424 3.127 20 10 DGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@@H]1COCc1ccccc1 ZINC001139684062 1095345293 /nfs/dbraw/zinc/34/52/93/1095345293.db2.gz PZSRCFMJCOYJRL-CQSZACIVSA-N 0 0 319.351 3.462 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(O)Cc1ccccc1 ZINC001221893828 1095382502 /nfs/dbraw/zinc/38/25/02/1095382502.db2.gz GIUFVKDNXBFEQQ-UHFFFAOYSA-N 0 0 313.401 3.162 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCC[C@H]1CCCS1 ZINC001221894087 1095383567 /nfs/dbraw/zinc/38/35/67/1095383567.db2.gz MIEUBMJSXXJQJS-MRXNPFEDSA-N 0 0 321.490 3.146 20 10 DGCDRN Nc1ccc(CNC(=O)N2CCC[C@@H](c3ccccc3)C2)cc1 ZINC001338793707 1095390378 /nfs/dbraw/zinc/39/03/78/1095390378.db2.gz SKTPNLHQGUSSOC-QGZVFWFLSA-N 0 0 309.413 3.358 20 10 DGCDRN C[C@H](NC(=O)NCC(C)(C)C1=CCOCC1)c1ccccc1O ZINC001123834763 1095453627 /nfs/dbraw/zinc/45/36/27/1095453627.db2.gz NHRXGWGCGXGAKE-ZDUSSCGKSA-N 0 0 318.417 3.125 20 10 DGCDRN O=C(c1oc(C2CC2)nc1C(F)F)N1Cc2cccc(O)c2C1 ZINC001123848230 1095458147 /nfs/dbraw/zinc/45/81/47/1095458147.db2.gz WECMCYUMJDKBAQ-UHFFFAOYSA-N 0 0 320.295 3.351 20 10 DGCDRN CC(=O)Nc1cc(Cl)ccc1NC(=O)C1=CC(=O)CS1 ZINC001143980404 1095460398 /nfs/dbraw/zinc/46/03/98/1095460398.db2.gz ANNXNZDEJWNVJE-UHFFFAOYSA-N 0 0 310.762 3.318 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)C(C)(C)Cc2ccc(O)cc2)c1 ZINC001339084948 1095491594 /nfs/dbraw/zinc/49/15/94/1095491594.db2.gz IOVLHLLJXVFQCO-UHFFFAOYSA-N 0 0 313.397 3.291 20 10 DGCDRN COc1cc(NC(=O)c2cccc(O)c2O)cc(Cl)c1OC ZINC001144112376 1095514150 /nfs/dbraw/zinc/51/41/50/1095514150.db2.gz MUAMRWFGUJUCTI-UHFFFAOYSA-N 0 0 323.732 3.021 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@H](O)CC(C)C ZINC001144181338 1095544748 /nfs/dbraw/zinc/54/47/48/1095544748.db2.gz YKGMFVHSTFBDNZ-WMLDXEAASA-N 0 0 319.445 3.156 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@H](O)CC(C)C ZINC001144181340 1095544907 /nfs/dbraw/zinc/54/49/07/1095544907.db2.gz YKGMFVHSTFBDNZ-YOEHRIQHSA-N 0 0 319.445 3.156 20 10 DGCDRN COCCN(Cc1ccc(N2CCCC2)cc1)CC(F)(F)F ZINC001116444580 1095557361 /nfs/dbraw/zinc/55/73/61/1095557361.db2.gz YIFMQUJFCUOFCW-UHFFFAOYSA-N 0 0 316.367 3.298 20 10 DGCDRN Oc1ccc(Br)cc1CNc1ncc2[nH]ccc2n1 ZINC001171168570 1095623544 /nfs/dbraw/zinc/62/35/44/1095623544.db2.gz VHECVCDNMAPAMT-UHFFFAOYSA-N 0 0 319.162 3.038 20 10 DGCDRN Cc1nc2c(ccn2C)c(-c2cn(C)nc2-c2ccccc2)n1 ZINC001222516719 1095648856 /nfs/dbraw/zinc/64/88/56/1095648856.db2.gz GPXHFQSLVZVEHQ-UHFFFAOYSA-N 0 0 303.369 3.344 20 10 DGCDRN O=C(N[C@@H]1C[C@@H]1C1CCCCC1)N1Cc2cccc(O)c2C1 ZINC001222567600 1095670958 /nfs/dbraw/zinc/67/09/58/1095670958.db2.gz KGIMGNJACDUSIZ-GDBMZVCRSA-N 0 0 300.402 3.386 20 10 DGCDRN Cc1ncc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C2CC2)n1 ZINC001116897704 1095695511 /nfs/dbraw/zinc/69/55/11/1095695511.db2.gz PTLUNLKYQXSCKW-LBPRGKRZSA-N 0 0 324.428 3.219 20 10 DGCDRN Nc1ccc(CCNC(=O)c2oc(C3CC3)nc2C(F)F)cc1 ZINC001339714939 1095708577 /nfs/dbraw/zinc/70/85/77/1095708577.db2.gz GAUYKHNBQAQFFY-UHFFFAOYSA-N 0 0 321.327 3.044 20 10 DGCDRN CC(=O)N(C)Cc1nnc(-c2cc(C)n(-c3ccccc3)c2C)o1 ZINC001117192818 1095727361 /nfs/dbraw/zinc/72/73/61/1095727361.db2.gz NVLWJIVUZJAATD-UHFFFAOYSA-N 0 0 324.384 3.122 20 10 DGCDRN CC(C)(C)OC(=O)O[C@@H]1CC[N@H+](Cc2c([O-])cccc2F)C1 ZINC001137831882 1095756342 /nfs/dbraw/zinc/75/63/42/1095756342.db2.gz QWKJHPPVUQTGJX-LLVKDONJSA-N 0 0 311.353 3.057 20 10 DGCDRN Oc1cccc(F)c1CN1Cc2cc(Br)cnc2C1 ZINC001137838731 1095757923 /nfs/dbraw/zinc/75/79/23/1095757923.db2.gz JFPNTNQRNWUSEA-UHFFFAOYSA-N 0 0 323.165 3.205 20 10 DGCDRN Cc1cccc(O[C@H]2CCC[N@H+](Cc3c([O-])cccc3F)C2)n1 ZINC001137841459 1095759246 /nfs/dbraw/zinc/75/92/46/1095759246.db2.gz FRCOHEPLLXJZCQ-AWEZNQCLSA-N 0 0 316.376 3.278 20 10 DGCDRN Cc1cccc(OC2CC[NH+](Cc3c([O-])cccc3F)CC2)n1 ZINC001137841514 1095759943 /nfs/dbraw/zinc/75/99/43/1095759943.db2.gz IBBBRUWNTCGEGS-UHFFFAOYSA-N 0 0 316.376 3.278 20 10 DGCDRN Cc1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc2n[nH]cc21 ZINC001137951499 1095799276 /nfs/dbraw/zinc/79/92/76/1095799276.db2.gz MSLNRTZZBODYNV-UHFFFAOYSA-N 0 0 322.328 3.286 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CNc2ccccc21 ZINC001340044274 1095832869 /nfs/dbraw/zinc/83/28/69/1095832869.db2.gz JWXHRTHOQFNQEK-GOSISDBHSA-N 0 0 321.424 3.112 20 10 DGCDRN COC(=O)/C=C/c1ccc(N2CCC[C@](C)(F)C2)c([N+](=O)[O-])c1 ZINC001117757346 1095838339 /nfs/dbraw/zinc/83/83/39/1095838339.db2.gz SPKNSVLSPPXQCT-YERXGYGTSA-N 0 0 322.336 3.109 20 10 DGCDRN CCCCN(C)c1nnc(C2Sc3ncccc3C2=O)n1C ZINC001340094072 1095858765 /nfs/dbraw/zinc/85/87/65/1095858765.db2.gz AMLVPRMZCZJYAX-UHFFFAOYSA-N 0 0 317.418 3.034 20 10 DGCDRN CC(C)(C)OC(=O)O[C@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001138122519 1095896852 /nfs/dbraw/zinc/89/68/52/1095896852.db2.gz KFPDSJIUIQKUCA-LBPRGKRZSA-N 0 0 311.353 3.057 20 10 DGCDRN COc1ccccc1O[C@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001138127696 1095897293 /nfs/dbraw/zinc/89/72/93/1095897293.db2.gz MXKXZYXJGXSCCC-AWEZNQCLSA-N 0 0 317.360 3.193 20 10 DGCDRN Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3cccc(F)c3[O-])C2)c1 ZINC001138130799 1095899036 /nfs/dbraw/zinc/89/90/36/1095899036.db2.gz IEILSXDSPUJPRR-OAHLLOKOSA-N 0 0 316.376 3.278 20 10 DGCDRN C[N@H+](CCCC(=O)c1cccnc1)Cc1cccc(F)c1[O-] ZINC001138128707 1095899416 /nfs/dbraw/zinc/89/94/16/1095899416.db2.gz VRHDOWGKUWUQII-UHFFFAOYSA-N 0 0 302.349 3.021 20 10 DGCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H]1COCc1ccccc1 ZINC001138127777 1095900503 /nfs/dbraw/zinc/90/05/03/1095900503.db2.gz PIEWJHZLLJXKCH-MRXNPFEDSA-N 0 0 301.361 3.322 20 10 DGCDRN C[C@]1(c2ccc(F)cc2)CN(Cc2cccc(F)c2O)CCO1 ZINC001138128724 1095900735 /nfs/dbraw/zinc/90/07/35/1095900735.db2.gz WKKYMPQDJGKBMW-GOSISDBHSA-N 0 0 319.351 3.418 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCC(C3CC3)CC2)cc1 ZINC001223198696 1095902203 /nfs/dbraw/zinc/90/22/03/1095902203.db2.gz SBTWLXRTTIIVJX-UHFFFAOYSA-N 0 0 301.434 3.084 20 10 DGCDRN C[C@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1ccc(Cl)cc1[O-] ZINC001118027235 1095924609 /nfs/dbraw/zinc/92/46/09/1095924609.db2.gz VPPKZFKUQRDIFK-STQMWFEESA-N 0 0 324.852 3.345 20 10 DGCDRN COCCC1(C)CN(Cc2ccc(Br)cc2O)C1 ZINC001118577839 1096040058 /nfs/dbraw/zinc/04/00/58/1096040058.db2.gz MCZXWGRCRWANHL-UHFFFAOYSA-N 0 0 314.223 3.013 20 10 DGCDRN CO[C@@H](C(=O)Nc1c2nonc2ccc1Cl)C1CCCC1 ZINC001118784349 1096073412 /nfs/dbraw/zinc/07/34/12/1096073412.db2.gz RAFJOGZLXSJOOV-CYBMUJFWSA-N 0 0 309.753 3.020 20 10 DGCDRN CCO[C@H](C(=O)NCc1ccc(N(CC)CC)c(F)c1)C1CC1 ZINC001118877226 1096097533 /nfs/dbraw/zinc/09/75/33/1096097533.db2.gz CNOPXVORVADQJV-KRWDZBQOSA-N 0 0 322.424 3.103 20 10 DGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)c2cc[nH]c(=O)c2)cc1 ZINC001146906758 1096133495 /nfs/dbraw/zinc/13/34/95/1096133495.db2.gz GTCUEQCYRKSUIT-UHFFFAOYSA-N 0 0 319.364 3.216 20 10 DGCDRN Cc1ncc(C(=O)N[C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)[nH]1 ZINC001146878437 1096134915 /nfs/dbraw/zinc/13/49/15/1096134915.db2.gz UMDFVVVNNSDMID-MRXNPFEDSA-N 0 0 313.401 3.094 20 10 DGCDRN C[C@]1(c2ccccc2)C[C@@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC001119152604 1096137644 /nfs/dbraw/zinc/13/76/44/1096137644.db2.gz ZYHUWPNYUCGWHN-PKOBYXMFSA-N 0 0 308.381 3.148 20 10 DGCDRN COc1ccc(N2CCC(Nc3cc(C)nc(F)n3)CC2)cc1 ZINC001119403538 1096191349 /nfs/dbraw/zinc/19/13/49/1096191349.db2.gz YLCAHPSWKPMMSC-UHFFFAOYSA-N 0 0 316.380 3.014 20 10 DGCDRN CC(C)(CNC(=O)c1cccc(O)c1O)c1c[nH]c2ccccc21 ZINC001148224789 1096330241 /nfs/dbraw/zinc/33/02/41/1096330241.db2.gz VGPWSNYQUYCRNE-UHFFFAOYSA-N 0 0 324.380 3.287 20 10 DGCDRN C[C@@H]1CC[C@H](CNC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC001225138373 1096352537 /nfs/dbraw/zinc/35/25/37/1096352537.db2.gz HFPDONBGTLCUDJ-CABCVRRESA-N 0 0 315.461 3.304 20 10 DGCDRN Cn1ccc2nc(NCc3cc4ccccc4cc3O)ncc21 ZINC001171399406 1096659731 /nfs/dbraw/zinc/65/97/31/1096659731.db2.gz FIKVYXYLBBQLHW-UHFFFAOYSA-N 0 0 304.353 3.439 20 10 DGCDRN O=c1occ2[nH]cc(NCc3cc4ccccc4cc3O)cc1-2 ZINC001171406734 1096676188 /nfs/dbraw/zinc/67/61/88/1096676188.db2.gz QAKZWSPVBQROSZ-UHFFFAOYSA-N 0 0 306.321 3.223 20 10 DGCDRN O=c1cnc(NCc2cc3ccccc3cc2O)cn1C1CCC1 ZINC001171406934 1096676430 /nfs/dbraw/zinc/67/64/30/1096676430.db2.gz HFVJXKMGMROKTD-UHFFFAOYSA-N 0 0 321.380 3.439 20 10 DGCDRN CCCCC[C@H](Oc1c(O)c(O)c(O)c(O)c1O)C(C)C ZINC001226468404 1096696877 /nfs/dbraw/zinc/69/68/77/1096696877.db2.gz NKZBVEGXSLAQFD-VIFPVBQESA-N 0 0 300.351 3.198 20 10 DGCDRN Cc1noc(-c2ccc(C(=O)N[C@H](C)c3ccccc3O)cc2)n1 ZINC001171723741 1096954376 /nfs/dbraw/zinc/95/43/76/1096954376.db2.gz ZPSQBDWVBXOXKR-LLVKDONJSA-N 0 0 323.352 3.242 20 10 DGCDRN COc1c(F)ccc(F)c1C(=O)N[C@H](C)c1ccccc1O ZINC001171723661 1096954461 /nfs/dbraw/zinc/95/44/61/1096954461.db2.gz WKNNKHWFKYCBDT-SECBINFHSA-N 0 0 307.296 3.170 20 10 DGCDRN C[C@@H](NC(=O)c1ccccc1Cn1cccn1)c1ccccc1O ZINC001171723216 1096954822 /nfs/dbraw/zinc/95/48/22/1096954822.db2.gz OQJIWQASFLOXPL-CQSZACIVSA-N 0 0 321.380 3.128 20 10 DGCDRN COc1ccc(N(C)CCCOc2ccc3c(c2)OCO3)cc1 ZINC001171746093 1096961407 /nfs/dbraw/zinc/96/14/07/1096961407.db2.gz MDSHQMAPBBFQNF-UHFFFAOYSA-N 0 0 315.369 3.329 20 10 DGCDRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Oc1ccc(N(C)C)cc1 ZINC001227940570 1097017585 /nfs/dbraw/zinc/01/75/85/1097017585.db2.gz MNOQLJPTWOOSBK-CZUORRHYSA-N 0 0 320.433 3.387 20 10 DGCDRN CCO[C@@H](C)COc1cccc2c1C(=O)c1ccccc1C2=O ZINC001228079286 1097046882 /nfs/dbraw/zinc/04/68/82/1097046882.db2.gz MBRTTXSWRIDRQC-LBPRGKRZSA-N 0 0 310.349 3.266 20 10 DGCDRN CCCC[C@H](C)Oc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC001228200621 1097071760 /nfs/dbraw/zinc/07/17/60/1097071760.db2.gz ISXNAANTUWIILT-HNNXBMFYSA-N 0 0 304.434 3.313 20 10 DGCDRN CCC[C@H](CC)Oc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC001228203332 1097072616 /nfs/dbraw/zinc/07/26/16/1097072616.db2.gz BLZRRGUPXDRMQF-KRWDZBQOSA-N 0 0 304.434 3.313 20 10 DGCDRN CC(=O)N1CCN(c2ccc(O[C@@H]3CCCC[C@@H]3F)cc2)CC1 ZINC001228200991 1097072714 /nfs/dbraw/zinc/07/27/14/1097072714.db2.gz KAODGCOMVPNVJV-ZWKOTPCHSA-N 0 0 320.408 3.015 20 10 DGCDRN Cn1ncc2ccc(-c3noc(-c4nnsc4C4CC4)n3)cc21 ZINC001212680390 1097230502 /nfs/dbraw/zinc/23/05/02/1097230502.db2.gz BUJXVVIOAYVNRD-UHFFFAOYSA-N 0 0 324.369 3.019 20 10 DGCDRN O=C(NCc1c(O)cccc1F)N[C@H]1C[C@@H]1C1CCCCC1 ZINC001229184405 1097272910 /nfs/dbraw/zinc/27/29/10/1097272910.db2.gz FDNCLHRUOCISCY-DOMZBBRYSA-N 0 0 306.381 3.299 20 10 DGCDRN O=C1c2cccc(O[C@H]3C=CCC3)c2C(=O)c2cccc(O)c21 ZINC001229192587 1097274694 /nfs/dbraw/zinc/27/46/94/1097274694.db2.gz PBGCLSFMDJDMHF-NSHDSACASA-N 0 0 306.317 3.265 20 10 DGCDRN O=C1c2cccc(O[C@@H]3C[C@H]4C[C@H]4C3)c2C(=O)c2cccc(O)c21 ZINC001229191394 1097274875 /nfs/dbraw/zinc/27/48/75/1097274875.db2.gz ANQSWTZOSJVITG-ZSBIGDGJSA-N 0 0 320.344 3.345 20 10 DGCDRN Cc1nocc1Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC001212723983 1097433970 /nfs/dbraw/zinc/43/39/70/1097433970.db2.gz RZNAQKBUEISVCS-UHFFFAOYSA-N 0 0 320.304 3.208 20 10 DGCDRN CCC(CC)NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001230195234 1097456230 /nfs/dbraw/zinc/45/62/30/1097456230.db2.gz LFRGFWGYDIJSNX-CQSZACIVSA-N 0 0 305.466 3.480 20 10 DGCDRN CC(=O)Nc1ccc(OC(C)C)c2c1C(=O)c1ccccc1C2=O ZINC001231185897 1097691582 /nfs/dbraw/zinc/69/15/82/1097691582.db2.gz XAHQWLPMKJMMOO-UHFFFAOYSA-N 0 0 323.348 3.208 20 10 DGCDRN CC(C)(C)OC(=O)N1CC=C(Nc2cccc(O)c2O)CC1 ZINC001174442161 1097716818 /nfs/dbraw/zinc/71/68/18/1097716818.db2.gz XCHSPEARZHZVSB-UHFFFAOYSA-N 0 0 306.362 3.034 20 10 DGCDRN Oc1cc(OCc2ccccc2)ccc1CN1C[C@@H](F)[C@H](F)C1 ZINC001231468223 1097754299 /nfs/dbraw/zinc/75/42/99/1097754299.db2.gz SQJLUUVEPOEFPE-IAGOWNOFSA-N 0 0 319.351 3.463 20 10 DGCDRN COc1ccc(Br)c(CN2C[C@@H](F)C[C@H]2C)c1O ZINC001231547854 1097777300 /nfs/dbraw/zinc/77/73/00/1097777300.db2.gz KMJISYDGKFBDJN-BDAKNGLRSA-N 0 0 318.186 3.096 20 10 DGCDRN C[N@H+](Cc1cc(C(=O)[O-])ccc1O)C12CC3CC(CC(C3)C1)C2 ZINC001231564740 1097780984 /nfs/dbraw/zinc/78/09/84/1097780984.db2.gz WMVSUIPNPJZNPD-UHFFFAOYSA-N 0 0 315.413 3.491 20 10 DGCDRN Cc1cccc(C[N@@H+]2CCc3nn(-c4ccccc4)cc3C2)c1O ZINC001231592142 1097786843 /nfs/dbraw/zinc/78/68/43/1097786843.db2.gz DCUORFGNCHXHNH-UHFFFAOYSA-N 0 0 319.408 3.445 20 10 DGCDRN CCC1(NC(=O)OC(C)(C)C)CN(Cc2cccc(C)c2O)C1 ZINC001231595153 1097788503 /nfs/dbraw/zinc/78/85/03/1097788503.db2.gz UBJCKRIAMHCHQR-UHFFFAOYSA-N 0 0 320.433 3.190 20 10 DGCDRN COc1cc(N(C)C)ccc1CN1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC001231849419 1097863990 /nfs/dbraw/zinc/86/39/90/1097863990.db2.gz SHHORWAWUOCLGQ-IRXDYDNUSA-N 0 0 316.445 3.095 20 10 DGCDRN COc1cc(N(C)C)ccc1C[NH+]1CC(C)(C)OC(C)(C)C1 ZINC001231854392 1097865284 /nfs/dbraw/zinc/86/52/84/1097865284.db2.gz CWSSNILHOJPGSR-UHFFFAOYSA-N 0 0 306.450 3.151 20 10 DGCDRN Cc1cc(O)c(CN2CCO[C@H](c3ccncc3)C2)cc1Cl ZINC001231869952 1097870085 /nfs/dbraw/zinc/87/00/85/1097870085.db2.gz BVQNDPNBBKNLPA-KRWDZBQOSA-N 0 0 318.804 3.323 20 10 DGCDRN CCc1noc(C2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)n1 ZINC001231912694 1097889894 /nfs/dbraw/zinc/88/98/94/1097889894.db2.gz SJHLUTYKXBACRR-UHFFFAOYSA-N 0 0 321.808 3.371 20 10 DGCDRN O=C(c1cccc2cc(O)ccc21)N1Cc2cccc(O)c2C1 ZINC001175037631 1097925727 /nfs/dbraw/zinc/92/57/27/1097925727.db2.gz JEYDUSKEBIKCON-UHFFFAOYSA-N 0 0 305.333 3.407 20 10 DGCDRN CC[N@H+](Cc1cn(C)nc1C(F)(F)F)Cc1ccccc1O ZINC001232087828 1097935228 /nfs/dbraw/zinc/93/52/28/1097935228.db2.gz ALXCTNLURUHMIM-UHFFFAOYSA-N 0 0 313.323 3.167 20 10 DGCDRN CN(C)c1ccc(C[N@H+](C)Cc2cnc(-c3cccnc3)o2)cc1 ZINC001232136879 1097946367 /nfs/dbraw/zinc/94/63/67/1097946367.db2.gz ZTNQGQSSRJNSOF-UHFFFAOYSA-N 0 0 322.412 3.435 20 10 DGCDRN CCOc1ccc(C)cc1N(c1ccc(N)cc1)S(C)(=O)=O ZINC001175123936 1097954258 /nfs/dbraw/zinc/95/42/58/1097954258.db2.gz HXIWEFFBMMPWSU-UHFFFAOYSA-N 0 0 320.414 3.074 20 10 DGCDRN CCOc1cc(C)c(N(CCO)c2ccc(N)cc2)c(C)c1 ZINC001175173343 1097968645 /nfs/dbraw/zinc/96/86/45/1097968645.db2.gz JZIGSDBJFIJEQV-UHFFFAOYSA-N 0 0 300.402 3.415 20 10 DGCDRN CCOc1ccc(N(c2ccc(N)cc2)S(C)(=O)=O)c(C)c1 ZINC001175244405 1097984384 /nfs/dbraw/zinc/98/43/84/1097984384.db2.gz WJWQUTPHNCMMKN-UHFFFAOYSA-N 0 0 320.414 3.074 20 10 DGCDRN Oc1cc(O)c(CN2CC(Oc3ccc(F)cc3)C2)cc1Cl ZINC001232262722 1097984866 /nfs/dbraw/zinc/98/48/66/1097984866.db2.gz NPGPLZUDNSRCMH-UHFFFAOYSA-N 0 0 323.751 3.154 20 10 DGCDRN Oc1cc(O)c(CN2Cc3cnc(Cl)cc3C2)cc1Cl ZINC001232264412 1097986833 /nfs/dbraw/zinc/98/68/33/1097986833.db2.gz HDBUBHMTFKVLIC-UHFFFAOYSA-N 0 0 311.168 3.315 20 10 DGCDRN COc1cc(O)c(CN2CCc3ncc(C)cc3C2)cc1Cl ZINC001232270607 1097988166 /nfs/dbraw/zinc/98/81/66/1097988166.db2.gz HIHXWNFSHDWQNR-UHFFFAOYSA-N 0 0 318.804 3.316 20 10 DGCDRN CN(C)c1ccc(CN(C)Cc2cn3cc(F)ccc3n2)cc1 ZINC001232415019 1098031895 /nfs/dbraw/zinc/03/18/95/1098031895.db2.gz RKNAHUKJUSLVJO-UHFFFAOYSA-N 0 0 312.392 3.171 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccc(O)c(C(C)C)c2)c(O)c1O ZINC001175756430 1098162446 /nfs/dbraw/zinc/16/24/46/1098162446.db2.gz KAJIILKLVZQMQH-UHFFFAOYSA-N 0 0 301.342 3.488 20 10 DGCDRN [O-]c1cc(Br)cc(F)c1C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001233030771 1098206191 /nfs/dbraw/zinc/20/61/91/1098206191.db2.gz MXXQWEPCMDIDDB-OVYXKVPISA-N 0 0 318.161 3.226 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC[C@H](OCc3ccccc3)C2)ccc(F)c1F ZINC001233077833 1098221157 /nfs/dbraw/zinc/22/11/57/1098221157.db2.gz ZGPWWZNGGSSKTA-HNNXBMFYSA-N 0 0 319.351 3.462 20 10 DGCDRN COc1cc(Cl)cc(CN2CCc3cnccc3C2)c1O ZINC001233287613 1098277855 /nfs/dbraw/zinc/27/78/55/1098277855.db2.gz ZUCMEJAOGRIQMI-UHFFFAOYSA-N 0 0 304.777 3.008 20 10 DGCDRN COc1cc(Cl)cc(CN2CC[C@H](CF)C(F)(F)C2)c1O ZINC001233287696 1098278551 /nfs/dbraw/zinc/27/85/51/1098278551.db2.gz CTLHGVHMEWSYHE-SNVBAGLBSA-N 0 0 323.742 3.481 20 10 DGCDRN [O-]c1ccc(F)c(F)c1C[NH+]1CCC(c2ccncc2)CC1 ZINC001233334766 1098291309 /nfs/dbraw/zinc/29/13/09/1098291309.db2.gz SIHGSTNZEODKOK-UHFFFAOYSA-N 0 0 304.340 3.445 20 10 DGCDRN CN(C)c1ccc(C[N@H+](C)Cc2c([O-])ccc(F)c2F)cc1 ZINC001233336036 1098292053 /nfs/dbraw/zinc/29/20/53/1098292053.db2.gz WGMZKUKOSYTLRS-UHFFFAOYSA-N 0 0 306.356 3.368 20 10 DGCDRN COc1cccc2c1CCN(Cc1c(O)ccc(F)c1F)C2 ZINC001233335730 1098292765 /nfs/dbraw/zinc/29/27/65/1098292765.db2.gz IQSTXEPFBDWPQT-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN C[N@H+](CCc1ccccn1)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233415741 1098321880 /nfs/dbraw/zinc/32/18/80/1098321880.db2.gz HFHHOZGZVXGMJA-UHFFFAOYSA-N 0 0 310.319 3.481 20 10 DGCDRN C[N@H+](Cc1cccc(C(F)(F)F)c1[O-])[C@H]1CC[C@H](O)CC1 ZINC001233416707 1098322044 /nfs/dbraw/zinc/32/20/44/1098322044.db2.gz SFIOBEARKMWKQT-HAQNSBGRSA-N 0 0 303.324 3.146 20 10 DGCDRN Oc1c(CN2CC(Oc3cccnc3)C2)cccc1C(F)(F)F ZINC001233417765 1098322261 /nfs/dbraw/zinc/32/22/61/1098322261.db2.gz HHSCKKOKZCJYIZ-UHFFFAOYSA-N 0 0 324.302 3.069 20 10 DGCDRN [O-]c1c(C[N@H+]2CCCC[C@](O)(CF)C2)cccc1C(F)(F)F ZINC001233415944 1098322647 /nfs/dbraw/zinc/32/26/47/1098322647.db2.gz PFZHKADTOMFKJO-AWEZNQCLSA-N 0 0 321.314 3.098 20 10 DGCDRN CN(CC(=O)OC(C)(C)C)Cc1cccc(C(F)(F)F)c1O ZINC001233416634 1098323097 /nfs/dbraw/zinc/32/30/97/1098323097.db2.gz PLBHYDGHAYTPFV-UHFFFAOYSA-N 0 0 319.323 3.185 20 10 DGCDRN CCCN(CC(=O)OCC)Cc1ccc(C(F)(F)F)cc1O ZINC001233454894 1098339841 /nfs/dbraw/zinc/33/98/41/1098339841.db2.gz NVLVQPYJYALTAF-UHFFFAOYSA-N 0 0 319.323 3.186 20 10 DGCDRN Cc1ccc(/C=C/N(c2ccc(N)cc2)S(C)(=O)=O)cc1 ZINC001176425343 1098351669 /nfs/dbraw/zinc/35/16/69/1098351669.db2.gz YSCASXYLZPYUIF-VAWYXSNFSA-N 0 0 302.399 3.014 20 10 DGCDRN CCCC(=O)c1cc(O)c(O)cc1OC1=C(C)[C@H](CC)OC1=O ZINC001233497825 1098351888 /nfs/dbraw/zinc/35/18/88/1098351888.db2.gz RUIJCIVLJPFXTG-AWEZNQCLSA-N 0 0 320.341 3.069 20 10 DGCDRN CCOC(=O)N1CCC[C@H](Oc2ccc3c(c2)CCN3CC)C1 ZINC001233607155 1098388771 /nfs/dbraw/zinc/38/87/71/1098388771.db2.gz IGKICWOQHFOHBP-INIZCTEOSA-N 0 0 318.417 3.069 20 10 DGCDRN Cc1ccc(F)c2oc(C(=O)NCc3cccc(O)c3O)cc21 ZINC001176576932 1098391110 /nfs/dbraw/zinc/39/11/10/1098391110.db2.gz UWPNDMOPHGSDKP-UHFFFAOYSA-N 0 0 315.300 3.222 20 10 DGCDRN Cc1ccc2c(c1)[C@@H](Oc1nc[nH]c3cc(=O)c(O)cc1-3)CC2 ZINC001233949791 1098465697 /nfs/dbraw/zinc/46/56/97/1098465697.db2.gz NSGHRDLRDDUEMD-KRWDZBQOSA-N 0 0 308.337 3.416 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001234475663 1098564604 /nfs/dbraw/zinc/56/46/04/1098564604.db2.gz ICFXCQYTPSFJAR-JTQLQIEISA-N 0 0 317.297 3.349 20 10 DGCDRN COc1ccc2ccc(O)c(CN3CCCC(=O)[C@H](F)C3)c2c1 ZINC001234525264 1098581775 /nfs/dbraw/zinc/58/17/75/1098581775.db2.gz DBVMXOSSVMUFBN-MRXNPFEDSA-N 0 0 317.360 3.057 20 10 DGCDRN Cc1cc(C)c(CNC(=O)C(C)(C)Cc2ccncc2)c(O)c1 ZINC001178255036 1098757773 /nfs/dbraw/zinc/75/77/73/1098757773.db2.gz YTAZZSASTJJWGK-UHFFFAOYSA-N 0 0 312.413 3.289 20 10 DGCDRN C[C@@]1(CF)CC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC001235056974 1098779382 /nfs/dbraw/zinc/77/93/82/1098779382.db2.gz KTNGYRMZIODYRY-ZDUSSCGKSA-N 0 0 320.177 3.475 20 10 DGCDRN Cc1cccc(C)c1OCCC(=O)NCc1c(O)cccc1F ZINC001178410101 1098825926 /nfs/dbraw/zinc/82/59/26/1098825926.db2.gz MLOKPLMIVFHGRU-UHFFFAOYSA-N 0 0 317.360 3.233 20 10 DGCDRN O=C(/C=C\Sc1ccccc1)NCc1c(O)cccc1F ZINC001178413718 1098827962 /nfs/dbraw/zinc/82/79/62/1098827962.db2.gz XTKZWMRUBJYHPE-KTKRTIGZSA-N 0 0 303.358 3.454 20 10 DGCDRN Cc1cccc(CC(=O)NCc2c(O)cccc2F)c1Cl ZINC001178412565 1098829196 /nfs/dbraw/zinc/82/91/96/1098829196.db2.gz AJDWTMDODHXYFX-UHFFFAOYSA-N 0 0 307.752 3.352 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1cc2sccc2s1 ZINC001178905954 1098967279 /nfs/dbraw/zinc/96/72/79/1098967279.db2.gz TWQDOQFVPSNPHH-UHFFFAOYSA-N 0 0 305.380 3.304 20 10 DGCDRN O=C(CCC1CCOCC1)NCc1c(O)ccc2ccccc21 ZINC001179030067 1099004068 /nfs/dbraw/zinc/00/40/68/1099004068.db2.gz YPMCQYMXUNZDIJ-UHFFFAOYSA-N 0 0 313.397 3.368 20 10 DGCDRN CC[C@@H](C)[C@@H](OC)C(=O)NCc1c(O)ccc2ccccc21 ZINC001179033580 1099006229 /nfs/dbraw/zinc/00/62/29/1099006229.db2.gz YWDIZSDARCZRCZ-SJKOYZFVSA-N 0 0 301.386 3.223 20 10 DGCDRN COc1cc(CN2CCc3cccc(O)c3C2)cc(F)c1F ZINC001235441698 1099037912 /nfs/dbraw/zinc/03/79/12/1099037912.db2.gz QJLKHWWMKBBTHZ-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN CN(Cc1nnc2ccccn21)Cc1ccc(C(C)(C)C)cc1O ZINC001235674361 1099117819 /nfs/dbraw/zinc/11/78/19/1099117819.db2.gz FKEMLKKVUJOOPD-UHFFFAOYSA-N 0 0 324.428 3.364 20 10 DGCDRN C[C@@H](NC(=O)NCc1ccccc1O)c1cc2cnccc2o1 ZINC001235735969 1099153598 /nfs/dbraw/zinc/15/35/98/1099153598.db2.gz LSMJIHVMFJKZHR-LLVKDONJSA-N 0 0 311.341 3.094 20 10 DGCDRN Oc1ccccc1C[N@@H+]1CCN[C@@H](c2ccc(Cl)cc2)C1 ZINC001235787944 1099179130 /nfs/dbraw/zinc/17/91/30/1099179130.db2.gz HIRWICWXWMTZGQ-MRXNPFEDSA-N 0 0 302.805 3.192 20 10 DGCDRN C[N@H+](CCOCc1ccccc1)Cc1cc(F)cc(F)c1[O-] ZINC001180108096 1099316035 /nfs/dbraw/zinc/31/60/35/1099316035.db2.gz NBOGYEKMNXKZEA-UHFFFAOYSA-N 0 0 307.340 3.319 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)Nc2cnc3ccccc3n2)cc1 ZINC001180124283 1099322126 /nfs/dbraw/zinc/32/21/26/1099322126.db2.gz ZRZJBFPBGYSDMS-FMIVXFBMSA-N 0 0 318.380 3.348 20 10 DGCDRN Cc1nc(-c2cccc(NCc3cc(F)c(F)cc3O)c2)n[nH]1 ZINC001180289039 1099374428 /nfs/dbraw/zinc/37/44/28/1099374428.db2.gz QLTBTXHLLCAAGS-UHFFFAOYSA-N 0 0 316.311 3.376 20 10 DGCDRN CC(C)(C)OCC(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001180324501 1099384424 /nfs/dbraw/zinc/38/44/24/1099384424.db2.gz QZDOZXCQWFTZLD-UHFFFAOYSA-N 0 0 322.792 3.025 20 10 DGCDRN O=C(Cc1ccc2c(c1)CCCC2)N1CCc2cccc(O)c2C1 ZINC001180392426 1099394312 /nfs/dbraw/zinc/39/43/12/1099394312.db2.gz PBELXBWVMDAGBP-UHFFFAOYSA-N 0 0 321.420 3.398 20 10 DGCDRN C/C(=C\c1cccnc1)C(=O)NCc1cccc(Cl)c1O ZINC001180420016 1099416878 /nfs/dbraw/zinc/41/68/78/1099416878.db2.gz HRVUHDIIJIAJMG-DHZHZOJOSA-N 0 0 302.761 3.160 20 10 DGCDRN C[C@@]1(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)CCCO1 ZINC001180471640 1099432403 /nfs/dbraw/zinc/43/24/03/1099432403.db2.gz GTDPJPYWQNWFSH-IBGZPJMESA-N 0 0 310.397 3.371 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)COCC(C)C ZINC001180755459 1099499888 /nfs/dbraw/zinc/49/98/88/1099499888.db2.gz HPOKKAIASJQMHC-GOSISDBHSA-N 0 0 319.445 3.421 20 10 DGCDRN COc1nc(C(C)C)ccc1-c1ccc2ncc(=O)n(C)c2c1 ZINC001236444245 1099614995 /nfs/dbraw/zinc/61/49/95/1099614995.db2.gz KSURDHGHYJGMGZ-UHFFFAOYSA-N 0 0 309.369 3.128 20 10 DGCDRN O=C(NCc1cccc(O)c1O)Nc1cccc(Cl)c1F ZINC001188426985 1099762045 /nfs/dbraw/zinc/76/20/45/1099762045.db2.gz UUHXYFPWZFAAQV-UHFFFAOYSA-N 0 0 310.712 3.212 20 10 DGCDRN COc1ccc(NC(=O)NCc2cccc(O)c2O)cc1Cl ZINC001188493098 1099778677 /nfs/dbraw/zinc/77/86/77/1099778677.db2.gz PFWIBBNOYSASNA-UHFFFAOYSA-N 0 0 322.748 3.082 20 10 DGCDRN Oc1cc(CN2CCCC(F)(F)C2)c(O)cc1Br ZINC001236773225 1099778850 /nfs/dbraw/zinc/77/88/50/1099778850.db2.gz QDXCHFJBXVHLQQ-UHFFFAOYSA-N 0 0 322.149 3.091 20 10 DGCDRN CCc1ccc(C[NH+]2CCC(Oc3ccncc3)CC2)c(O)c1 ZINC001236783077 1099780214 /nfs/dbraw/zinc/78/02/14/1099780214.db2.gz HVHAGJFSTXFXKY-UHFFFAOYSA-N 0 0 312.413 3.393 20 10 DGCDRN O=C1CCCN(Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001236788857 1099784871 /nfs/dbraw/zinc/78/48/71/1099784871.db2.gz LIWGNXHCULYXMF-UHFFFAOYSA-N 0 0 311.381 3.136 20 10 DGCDRN O=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)c(Cl)cc1O ZINC001236790864 1099788165 /nfs/dbraw/zinc/78/81/65/1099788165.db2.gz WACGLCDUFXRBOM-AOOOYVTPSA-N 0 0 300.185 3.395 20 10 DGCDRN CCCOC1CC[NH+](Cc2ccc(OC)c(Cl)c2[O-])CC1 ZINC001236814291 1099802902 /nfs/dbraw/zinc/80/29/02/1099802902.db2.gz VCLZKCLRLXSHJS-UHFFFAOYSA-N 0 0 313.825 3.445 20 10 DGCDRN CCOC(=O)[C@]12C[C@H]1CCN2Cc1cc2ccccc2cc1O ZINC001236830515 1099813840 /nfs/dbraw/zinc/81/38/40/1099813840.db2.gz PBHLFDKPPRAFRH-APWZRJJASA-N 0 0 311.381 3.073 20 10 DGCDRN [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001237078363 1099957767 /nfs/dbraw/zinc/95/77/67/1099957767.db2.gz QAWHTEMIYCTYFL-ZJUUUORDSA-N 0 0 302.201 3.167 20 10 DGCDRN C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1c([O-])ccc(Cl)c1Cl ZINC001237078315 1099958049 /nfs/dbraw/zinc/95/80/49/1099958049.db2.gz PKKASFPHFNZABD-UWVGGRQHSA-N 0 0 304.217 3.292 20 10 DGCDRN [O-]c1ccc(Cl)c(Cl)c1C[NH+]1CCC2(COC2)CC1 ZINC001237078318 1099959080 /nfs/dbraw/zinc/95/90/80/1099959080.db2.gz PMWHARVFYVULHO-UHFFFAOYSA-N 0 0 302.201 3.311 20 10 DGCDRN C[C@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2Cl)CCC[C@@H]1O ZINC001237077553 1099959686 /nfs/dbraw/zinc/95/96/86/1099959686.db2.gz IQDATMLPEFALAA-CABZTGNLSA-N 0 0 304.217 3.292 20 10 DGCDRN Oc1ccc(Cl)c(Cl)c1CN1CC2(C1)CC(F)(F)CO2 ZINC001237085046 1099965243 /nfs/dbraw/zinc/96/52/43/1099965243.db2.gz SUMWYMVUAGZOJL-UHFFFAOYSA-N 0 0 324.154 3.309 20 10 DGCDRN CN(CCC[NH+]1CCCC1)Cc1c(O)ccc(F)c1Cl ZINC001237126017 1099983596 /nfs/dbraw/zinc/98/35/96/1099983596.db2.gz YWGAFVOXWQEFSO-UHFFFAOYSA-N 0 0 300.805 3.102 20 10 DGCDRN Oc1ccc(F)c(Cl)c1C[NH+]1CCC(c2ncccn2)CC1 ZINC001237127193 1099984725 /nfs/dbraw/zinc/98/47/25/1099984725.db2.gz VUZSISAYIMOKCQ-UHFFFAOYSA-N 0 0 321.783 3.354 20 10 DGCDRN CC(=O)[C@H]1CCCCN1Cc1cc(C(F)(F)F)ccc1O ZINC001237139027 1099989694 /nfs/dbraw/zinc/98/96/94/1099989694.db2.gz BMVUSGDUVFSNAX-CYBMUJFWSA-N 0 0 301.308 3.355 20 10 DGCDRN O=C1CCC[C@@H]2C[N@@H+](Cc3cc(C(F)(F)F)ccc3O)C[C@H]12 ZINC001237143803 1099991942 /nfs/dbraw/zinc/99/19/42/1099991942.db2.gz OLOLQTGYJDPRRJ-MFKMUULPSA-N 0 0 313.319 3.212 20 10 DGCDRN COC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000691681976 1100017536 /nfs/dbraw/zinc/01/75/36/1100017536.db2.gz ZVDYURLQWSLYEZ-LLVKDONJSA-N 0 0 314.223 3.013 20 10 DGCDRN COC(=O)c1cnc(SCc2ccc(Cl)nc2)s1 ZINC001189408061 1100049529 /nfs/dbraw/zinc/04/95/29/1100049529.db2.gz VABUICLYBXAYBJ-UHFFFAOYSA-N 0 0 300.792 3.270 20 10 DGCDRN Cc1cccc(O)c1CN1CC(Oc2ccc(F)c(F)c2)C1 ZINC001237489899 1100141140 /nfs/dbraw/zinc/14/11/40/1100141140.db2.gz NDIGSDMDMNEIQC-UHFFFAOYSA-N 0 0 305.324 3.242 20 10 DGCDRN COC(=O)c1cccc2c1C[N@H+](Cc1c(C)cccc1O)CC2 ZINC001237489386 1100141213 /nfs/dbraw/zinc/14/12/13/1100141213.db2.gz AARHEUHIJWTOQI-UHFFFAOYSA-N 0 0 311.381 3.046 20 10 DGCDRN C[C@@]1(CO)CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237642083 1100199647 /nfs/dbraw/zinc/19/96/47/1100199647.db2.gz YXOIDDZMKXNVBA-LJQANCHMSA-N 0 0 315.388 3.403 20 10 DGCDRN COCC[N@H+](Cc1cc(Br)c(C)cc1O)C(C)C ZINC001237677798 1100212450 /nfs/dbraw/zinc/21/24/50/1100212450.db2.gz DSFNULJIECHOOG-UHFFFAOYSA-N 0 0 316.239 3.320 20 10 DGCDRN CO[C@@H]1CCC[N@H+](Cc2cc(Br)c(C)cc2O)C1 ZINC001237678183 1100212623 /nfs/dbraw/zinc/21/26/23/1100212623.db2.gz VWOKUHIRACMSRR-GFCCVEGCSA-N 0 0 314.223 3.074 20 10 DGCDRN CC[NH+](CC)C1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237813748 1100255862 /nfs/dbraw/zinc/25/58/62/1100255862.db2.gz MZGJQIWEQDVFFK-UHFFFAOYSA-N 0 0 314.832 3.491 20 10 DGCDRN CO[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(F)cc(Cl)c3[O-])C[C@@H]21 ZINC001237815489 1100256178 /nfs/dbraw/zinc/25/61/78/1100256178.db2.gz YVAYRGHGGSWUEC-RIEGTJTDSA-N 0 0 313.800 3.432 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2[O-])CC[C@]1(C)O ZINC001237935735 1100296376 /nfs/dbraw/zinc/29/63/76/1100296376.db2.gz YJLLZCIMYIEKBG-BMIGLBTASA-N 0 0 301.789 3.168 20 10 DGCDRN Cc1cc(F)cc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1O ZINC001238058380 1100347114 /nfs/dbraw/zinc/34/71/14/1100347114.db2.gz RFKRBMHIBSKNDP-CQSZACIVSA-N 0 0 321.314 3.119 20 10 DGCDRN COC(=O)c1ccc2c(c1)CN(Cc1cc(F)cc(C)c1O)C2 ZINC001238064484 1100347426 /nfs/dbraw/zinc/34/74/26/1100347426.db2.gz CRZCKRMOWNLRSF-UHFFFAOYSA-N 0 0 315.344 3.142 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1c(F)ccnc1Cl)CCC2 ZINC001238231838 1100400664 /nfs/dbraw/zinc/40/06/64/1100400664.db2.gz ABYANCVTBYDKPV-UHFFFAOYSA-N 0 0 322.767 3.234 20 10 DGCDRN CCN(Cc1ccccc1O)Cc1cc(OC)ncc1Cl ZINC001238354187 1100423577 /nfs/dbraw/zinc/42/35/77/1100423577.db2.gz JELUEQFPENRQRZ-UHFFFAOYSA-N 0 0 306.793 3.471 20 10 DGCDRN CCOCc1cncc(-c2ccn(CC(F)(F)F)c(=O)c2)c1 ZINC001238940925 1100560679 /nfs/dbraw/zinc/56/06/79/1100560679.db2.gz XBRHQXLBEPZAJS-UHFFFAOYSA-N 0 0 312.291 3.009 20 10 DGCDRN CCOc1ccc(N(CC)Cc2cncc(C(=O)OC)c2)cc1 ZINC001192012664 1100560785 /nfs/dbraw/zinc/56/07/85/1100560785.db2.gz IGYDKPOAOFFDRC-UHFFFAOYSA-N 0 0 314.385 3.293 20 10 DGCDRN Cc1ccc(/C=C\S(=O)(=O)NCc2cc(C)ccc2O)cc1 ZINC001192732613 1100654657 /nfs/dbraw/zinc/65/46/57/1100654657.db2.gz IIOFXBWZEPDRRI-KTKRTIGZSA-N 0 0 317.410 3.099 20 10 DGCDRN CCCC[C@H](C)NC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC001193023603 1100694701 /nfs/dbraw/zinc/69/47/01/1100694701.db2.gz ATVDRNVBBHKEQI-HNNXBMFYSA-N 0 0 319.449 3.106 20 10 DGCDRN CCN(c1ccccc1)c1cc(-c2cnc(OC)c(N)c2)ncn1 ZINC001239630207 1100707822 /nfs/dbraw/zinc/70/78/22/1100707822.db2.gz VARROKRUUGKLIP-UHFFFAOYSA-N 0 0 321.384 3.287 20 10 DGCDRN CN(C)c1ccc(-c2nc(C(=O)Nc3ccc[nH]3)cs2)cc1 ZINC001193163774 1100715120 /nfs/dbraw/zinc/71/51/20/1100715120.db2.gz DNJREKCKAYXZFA-UHFFFAOYSA-N 0 0 312.398 3.457 20 10 DGCDRN O=C(Nc1nc2ccc(F)cc2o1)c1ccc(O)c(O)c1Cl ZINC001193209480 1100717538 /nfs/dbraw/zinc/71/75/38/1100717538.db2.gz LEHSRUOITZITDD-UHFFFAOYSA-N 0 0 322.679 3.284 20 10 DGCDRN Cn1nc(C(C)(C)C)cc1NC(=O)c1ccc(O)c(O)c1Cl ZINC001193209469 1100717636 /nfs/dbraw/zinc/71/76/36/1100717636.db2.gz KYSDKTNKVCYLIF-UHFFFAOYSA-N 0 0 323.780 3.035 20 10 DGCDRN CC(=O)c1ccsc1NC(=O)c1ccc(O)c(O)c1Cl ZINC001193218772 1100717803 /nfs/dbraw/zinc/71/78/03/1100717803.db2.gz DGOHGPPSJAABDC-UHFFFAOYSA-N 0 0 311.746 3.268 20 10 DGCDRN CCc1nccc(C)c1NC(=O)c1ccc(O)c(O)c1Cl ZINC001193218513 1100717915 /nfs/dbraw/zinc/71/79/15/1100717915.db2.gz AVAWLKPDZDXEAM-UHFFFAOYSA-N 0 0 306.749 3.269 20 10 DGCDRN CCc1ccccc1CN(C)c1ccc(OCC(=O)OC)cc1 ZINC001193311551 1100726917 /nfs/dbraw/zinc/72/69/17/1100726917.db2.gz QQZWAWXSTLACNF-UHFFFAOYSA-N 0 0 313.397 3.437 20 10 DGCDRN COc1ccc(-c2cc(N3CCc4ccccc43)ncn2)cn1 ZINC001239725627 1100735183 /nfs/dbraw/zinc/73/51/83/1100735183.db2.gz NPAMRRALOVIFJI-UHFFFAOYSA-N 0 0 304.353 3.241 20 10 DGCDRN CC(C)COC(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001193856055 1100828589 /nfs/dbraw/zinc/82/85/89/1100828589.db2.gz YDMOSXCXGFRVGI-UHFFFAOYSA-N 0 0 308.765 3.476 20 10 DGCDRN COc1ccc(N(Cc2nc(CC3CC3)no2)CC2CC2)cc1 ZINC001194467833 1100945274 /nfs/dbraw/zinc/94/52/74/1100945274.db2.gz VLUSGXUULZETGN-UHFFFAOYSA-N 0 0 313.401 3.447 20 10 DGCDRN COc1ccc(OC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC001194558303 1100965941 /nfs/dbraw/zinc/96/59/41/1100965941.db2.gz VARRMWUUGORHIP-UHFFFAOYSA-N 0 0 300.358 3.050 20 10 DGCDRN Cc1cccc(C)c1S(=O)(=O)Nc1cc(F)c(O)c(F)c1 ZINC001194638813 1100978670 /nfs/dbraw/zinc/97/86/70/1100978670.db2.gz NDZXSIKBRKBRLW-UHFFFAOYSA-N 0 0 313.325 3.088 20 10 DGCDRN CC[C@@H](C)COC(=O)NCc1ccc(Br)cc1O ZINC001194831002 1101020003 /nfs/dbraw/zinc/02/00/03/1101020003.db2.gz QJMZNEVCZFFOHS-SECBINFHSA-N 0 0 316.195 3.427 20 10 DGCDRN Cc1n[nH]cc1-c1ncnc2c1ccn2Cc1ccccc1F ZINC001240516145 1101032314 /nfs/dbraw/zinc/03/23/14/1101032314.db2.gz DEBLZQSOOGTDOI-UHFFFAOYSA-N 0 0 307.332 3.317 20 10 DGCDRN Cn1ccc2ccc(-c3ccccc3N3C(=O)C=CC3=O)cc21 ZINC001240574234 1101055781 /nfs/dbraw/zinc/05/57/81/1101055781.db2.gz AKVSZCBHDLYZTJ-UHFFFAOYSA-N 0 0 302.333 3.275 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2cnn([C@@H]3CCOC3)c2)cn1 ZINC001240637393 1101079485 /nfs/dbraw/zinc/07/94/85/1101079485.db2.gz RIMVBLXPVBUFQD-QGZVFWFLSA-N 0 0 308.385 3.314 20 10 DGCDRN O=C(Nc1nnco1)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195255946 1101106591 /nfs/dbraw/zinc/10/65/91/1101106591.db2.gz XFUPPMOGBOEWLD-VHEBQXMUSA-N 0 0 309.285 3.443 20 10 DGCDRN COc1ccccc1OC(=O)NCc1ccc(N(C)C)cc1 ZINC001195283616 1101115583 /nfs/dbraw/zinc/11/55/83/1101115583.db2.gz CKXQYAMTCVGWPC-UHFFFAOYSA-N 0 0 300.358 3.050 20 10 DGCDRN CCNC(=S)Nc1ccccc1C(=O)c1ccc(OC)cc1 ZINC001195347839 1101123400 /nfs/dbraw/zinc/12/34/00/1101123400.db2.gz OZKICTGDHNKSGO-UHFFFAOYSA-N 0 0 314.410 3.233 20 10 DGCDRN CC(C)Oc1ccc(-c2ccn(Cc3cccnc3)c(=O)c2)cn1 ZINC001240810592 1101145650 /nfs/dbraw/zinc/14/56/50/1101145650.db2.gz BFWDNENIMKPUIQ-UHFFFAOYSA-N 0 0 321.380 3.141 20 10 DGCDRN COc1ccc(NC(=S)NCc2ncccc2Cl)cc1 ZINC001195721544 1101189332 /nfs/dbraw/zinc/18/93/32/1101189332.db2.gz ZBCMTMNGRDYNGL-UHFFFAOYSA-N 0 0 307.806 3.230 20 10 DGCDRN COC(=O)c1ccc(N)c(C2=CCN(c3ccccc3)CC2)c1 ZINC001241352049 1101398236 /nfs/dbraw/zinc/39/82/36/1101398236.db2.gz KHQZRRDSIUDATF-UHFFFAOYSA-N 0 0 308.381 3.349 20 10 DGCDRN O=c1cc(-c2cnc3cccnc3c2)ccn1CC(F)(F)F ZINC001241384776 1101421947 /nfs/dbraw/zinc/42/19/47/1101421947.db2.gz JYMMRJJMOVXLBU-UHFFFAOYSA-N 0 0 305.259 3.021 20 10 DGCDRN CO[C@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)C1CCCC1 ZINC001203241582 1101452879 /nfs/dbraw/zinc/45/28/79/1101452879.db2.gz AXYFQIMNFBQNPS-CQSZACIVSA-N 0 0 301.789 3.480 20 10 DGCDRN Fc1cnc(CNC(=S)Nc2ccc(Cl)cc2)c(F)c1 ZINC001197346395 1101535426 /nfs/dbraw/zinc/53/54/26/1101535426.db2.gz HTCAPVRTOBWNQD-UHFFFAOYSA-N 0 0 313.760 3.500 20 10 DGCDRN COc1ccc(-c2cc(N(C)c3ccccc3)ncn2)c(OC)n1 ZINC001241575887 1101557317 /nfs/dbraw/zinc/55/73/17/1101557317.db2.gz MDAQNOCWVQSCLD-UHFFFAOYSA-N 0 0 322.368 3.324 20 10 DGCDRN Cc1nc(N)ncc1-c1nccc2c1ccn2Cc1ccccc1 ZINC001241643453 1101604462 /nfs/dbraw/zinc/60/44/62/1101604462.db2.gz VRXJZYAVPNEBEI-UHFFFAOYSA-N 0 0 315.380 3.432 20 10 DGCDRN Cn1c(=O)cc(-c2cnn(-c3ccccc3)c2)c2ccccc21 ZINC001241756512 1101687027 /nfs/dbraw/zinc/68/70/27/1101687027.db2.gz BMCNNZFOFIRSKE-UHFFFAOYSA-N 0 0 301.349 3.391 20 10 DGCDRN Cn1ccc2c1cccc2-c1cnc2c(c1)OC(C)(C)C(=O)N2 ZINC001241822842 1101728294 /nfs/dbraw/zinc/72/82/94/1101728294.db2.gz PONRAXQNTFULRP-UHFFFAOYSA-N 0 0 307.353 3.350 20 10 DGCDRN CCOc1ccnc(CNC(=S)Nc2ccccc2C)c1 ZINC001198454207 1101858387 /nfs/dbraw/zinc/85/83/87/1101858387.db2.gz AGYVYFUHAASAMI-UHFFFAOYSA-N 0 0 301.415 3.275 20 10 DGCDRN CCOC(=O)c1cc2c(cc(C)nc2-c2c(C)noc2C)n1C ZINC001242105822 1101910446 /nfs/dbraw/zinc/91/04/46/1101910446.db2.gz YVUZUTNHJFGLCI-UHFFFAOYSA-N 0 0 313.357 3.330 20 10 DGCDRN CN(C)c1ccc(NC(=S)NCc2cc(Cl)ccn2)cc1 ZINC001198719132 1101973319 /nfs/dbraw/zinc/97/33/19/1101973319.db2.gz FLRVNBDJOLHBKQ-UHFFFAOYSA-N 0 0 320.849 3.288 20 10 DGCDRN Cc1ccc(/C=C/C(=O)N2CCOc3c(F)ccc(F)c32)cn1 ZINC001278345339 1102067420 /nfs/dbraw/zinc/06/74/20/1102067420.db2.gz PCTCRSTVYIRKFA-QPJJXVBHSA-N 0 0 316.307 3.107 20 10 DGCDRN Nc1cncc(-c2ncnc3c2ccn3Cc2ccccc2F)c1 ZINC001242497776 1102172223 /nfs/dbraw/zinc/17/22/23/1102172223.db2.gz VCFKJOPAFBJDSY-UHFFFAOYSA-N 0 0 319.343 3.263 20 10 DGCDRN Nc1cncc(-c2ncnc3c2ccn3Cc2cccc(F)c2)c1 ZINC001242497542 1102172660 /nfs/dbraw/zinc/17/26/60/1102172660.db2.gz NMDSLMOMZLRPBH-UHFFFAOYSA-N 0 0 319.343 3.263 20 10 DGCDRN COC(=O)c1cc2ccc(-c3cncc(N(C)C)c3)cc2n1C ZINC001242529004 1102189881 /nfs/dbraw/zinc/18/98/81/1102189881.db2.gz PJCIODXYKLDZIN-UHFFFAOYSA-N 0 0 309.369 3.093 20 10 DGCDRN CN(C)c1ccc(CNCc2nc3cc(F)ccc3o2)cc1F ZINC001199865117 1102237012 /nfs/dbraw/zinc/23/70/12/1102237012.db2.gz PKUBGZXWNRISET-UHFFFAOYSA-N 0 0 317.339 3.462 20 10 DGCDRN CN(C)c1ccc(CNC(=S)NC2CCCCCC2)cc1 ZINC001199973783 1102262043 /nfs/dbraw/zinc/26/20/43/1102262043.db2.gz CSVSIJGMQRJNGV-UHFFFAOYSA-N 0 0 305.491 3.440 20 10 DGCDRN COc1ncc(-c2ccc3ccc(=O)n(C)c3c2)cc1Cl ZINC001242933738 1102425599 /nfs/dbraw/zinc/42/55/99/1102425599.db2.gz CLUTZLCFTXWQKN-UHFFFAOYSA-N 0 0 300.745 3.263 20 10 DGCDRN COc1ccnc(CNC(=S)Nc2ccccc2Cl)c1 ZINC001200868567 1102429415 /nfs/dbraw/zinc/42/94/15/1102429415.db2.gz NFFXBKAJBZETPH-UHFFFAOYSA-N 0 0 307.806 3.230 20 10 DGCDRN Fc1ccc(NC(=S)NCc2cccc3ccnn32)c(F)c1 ZINC001200933988 1102441879 /nfs/dbraw/zinc/44/18/79/1102441879.db2.gz BQLWQDRDAADMCA-UHFFFAOYSA-N 0 0 318.352 3.099 20 10 DGCDRN CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001200961789 1102446583 /nfs/dbraw/zinc/44/65/83/1102446583.db2.gz ZGGGQPPCYVZSQA-ZFWWWQNUSA-N 0 0 310.419 3.454 20 10 DGCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1-c1cncc(O)c1 ZINC001201628496 1102676988 /nfs/dbraw/zinc/67/69/88/1102676988.db2.gz LQUAOIWPMZDVSG-VGPZOTPTSA-N 0 0 306.329 3.055 20 10 DGCDRN COc1ccc(F)c(NC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001201773527 1102725312 /nfs/dbraw/zinc/72/53/12/1102725312.db2.gz HVSUCWWFLRVFGC-JTQLQIEISA-N 0 0 304.321 3.423 20 10 DGCDRN COc1cc(F)cc(NC(=O)NCc2c(O)cccc2F)c1 ZINC001202011479 1102780106 /nfs/dbraw/zinc/78/01/06/1102780106.db2.gz YVRATOASUYCHCM-UHFFFAOYSA-N 0 0 308.284 3.001 20 10 DGCDRN COCCn1ccc2c1ncnc2-c1ccc(SC)nc1C ZINC001243569567 1102813255 /nfs/dbraw/zinc/81/32/55/1102813255.db2.gz REICIXSLHJOVBW-UHFFFAOYSA-N 0 0 314.414 3.170 20 10 DGCDRN CO[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000687217325 1103083505 /nfs/dbraw/zinc/08/35/05/1103083505.db2.gz RHTGBGQYNYEDIA-CMPLNLGQSA-N 0 0 314.223 3.154 20 10 DGCDRN Oc1cccc(Cl)c1CN1CCO[C@H](C(F)(F)F)CC1 ZINC000687288150 1103091081 /nfs/dbraw/zinc/09/10/81/1103091081.db2.gz QXQVRLZVQALMRJ-LBPRGKRZSA-N 0 0 309.715 3.199 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)C3(F)CCCC3)CC2)cc1 ZINC001325748907 1103113966 /nfs/dbraw/zinc/11/39/66/1103113966.db2.gz NKWFXLTZBKMJDY-UHFFFAOYSA-N 0 0 320.408 3.016 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N(C)CCCO)c1 ZINC001326007613 1103180629 /nfs/dbraw/zinc/18/06/29/1103180629.db2.gz KWVZSKAKIPWXJN-UHFFFAOYSA-N 0 0 320.820 3.202 20 10 DGCDRN CO[C@H](C)C[N@H+](Cc1cccc(Br)c1[O-])C(C)C ZINC000688095280 1103197697 /nfs/dbraw/zinc/19/76/97/1103197697.db2.gz NPJFJXSLVPYJNT-LLVKDONJSA-N 0 0 316.239 3.400 20 10 DGCDRN Cn1c2ccccc2c(-c2cc(F)c(F)c(F)c2N)cc1=O ZINC001244183517 1103263939 /nfs/dbraw/zinc/26/39/39/1103263939.db2.gz NGZBRPBRNRFSHL-UHFFFAOYSA-N 0 0 304.271 3.205 20 10 DGCDRN Nc1cc(Cl)ccc1-c1ccn(Cc2ccccn2)c(=O)c1 ZINC001244201723 1103278557 /nfs/dbraw/zinc/27/85/57/1103278557.db2.gz KXKVKFSHZOZLPJ-UHFFFAOYSA-N 0 0 311.772 3.194 20 10 DGCDRN Cc1cc(C2=CCN(C(=O)C(F)(F)F)CC2)ccc1N(C)C ZINC001244224742 1103291573 /nfs/dbraw/zinc/29/15/73/1103291573.db2.gz BXLRJULLGCFZLG-UHFFFAOYSA-N 0 0 312.335 3.239 20 10 DGCDRN Cc1csc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC001327374391 1103632802 /nfs/dbraw/zinc/63/28/02/1103632802.db2.gz DMKNHCHGPBUTGJ-GFCCVEGCSA-N 0 0 317.458 3.187 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1ccc(N(C)C)cc1 ZINC001327534753 1103675156 /nfs/dbraw/zinc/67/51/56/1103675156.db2.gz GJOPRZNOHPPCJM-FATJJJSSSA-N 0 0 323.387 3.157 20 10 DGCDRN OC[C@H]1Cc2ccccc2N(Cc2ccc(N3CCCC3)cc2)C1 ZINC001327740305 1103718753 /nfs/dbraw/zinc/71/87/53/1103718753.db2.gz MBMAAGPIOIHIFJ-SFHVURJKSA-N 0 0 322.452 3.458 20 10 DGCDRN CSc1ncc(C)cc1-c1ccn(Cc2cccnc2)c(=O)c1 ZINC001244883761 1103741727 /nfs/dbraw/zinc/74/17/27/1103741727.db2.gz CWDUTZJYYHMSOC-UHFFFAOYSA-N 0 0 323.421 3.384 20 10 DGCDRN Cc1cc(Cl)ncc1-c1ccn(Cc2cccnc2)c(=O)c1 ZINC001244919511 1103760109 /nfs/dbraw/zinc/76/01/09/1103760109.db2.gz XKFFYZRUZXUFGH-UHFFFAOYSA-N 0 0 311.772 3.315 20 10 DGCDRN Cc1cc(Cl)cc(CN2CCO[C@@](C)(C(F)F)C2)c1O ZINC001327963674 1103783911 /nfs/dbraw/zinc/78/39/11/1103783911.db2.gz LSFXGHRKELFMAT-CQSZACIVSA-N 0 0 305.752 3.210 20 10 DGCDRN C[C@]1(C[NH2+]Cc2cccc(Br)c2[O-])CC1(F)F ZINC000689213518 1103834299 /nfs/dbraw/zinc/83/42/99/1103834299.db2.gz VAYBQKFXCYYWLM-LLVKDONJSA-N 0 0 306.150 3.290 20 10 DGCDRN CCOC(=O)[C@@H](C)n1cc(-c2cccc3c2cc(C)n3C)cn1 ZINC001245337563 1103991995 /nfs/dbraw/zinc/99/19/95/1103991995.db2.gz MLQKNXKXHGBPEN-CYBMUJFWSA-N 0 0 311.385 3.474 20 10 DGCDRN Cc1cccc2c(CN3CCCc4cc(O)c(O)cc4C3)[nH]nc21 ZINC001137149522 1104014077 /nfs/dbraw/zinc/01/40/77/1104014077.db2.gz XBKJXDFMIODQEJ-UHFFFAOYSA-N 0 0 323.396 3.231 20 10 DGCDRN CC(C)Nc1ccc(F)cc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001137155321 1104021068 /nfs/dbraw/zinc/02/10/68/1104021068.db2.gz QAPGJRCGDCUFJH-UHFFFAOYSA-N 0 0 318.348 3.238 20 10 DGCDRN CCCNC(=O)Nc1c(C)ccc2c1C(=O)c1ccccc1C2=O ZINC001202591329 1104068246 /nfs/dbraw/zinc/06/82/46/1104068246.db2.gz ANYJTTUEMCTLIP-UHFFFAOYSA-N 0 0 322.364 3.302 20 10 DGCDRN COc1ccc(-c2ccn(CC(F)(F)F)c(=O)c2)c(Cl)n1 ZINC001245877815 1104280916 /nfs/dbraw/zinc/28/09/16/1104280916.db2.gz JDFOOBOCLCRAEZ-UHFFFAOYSA-N 0 0 318.682 3.135 20 10 DGCDRN C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1c2nonc2ccc1Cl ZINC001329517143 1104294804 /nfs/dbraw/zinc/29/48/04/1104294804.db2.gz AJGMMOFCSPYVAX-SKDRFNHKSA-N 0 0 323.780 3.410 20 10 DGCDRN C[C@H](Cc1cccc(O)c1)NC(=O)N[C@@H](C)c1ccccc1O ZINC001330107287 1104481061 /nfs/dbraw/zinc/48/10/61/1104481061.db2.gz ZDTIJNXCRTUUAP-OLZOCXBDSA-N 0 0 314.385 3.089 20 10 DGCDRN CCOc1ccc(N2CCC[C@@]23CCN([C@H](C)CC)C3=O)cc1 ZINC001274789959 1104490012 /nfs/dbraw/zinc/49/00/12/1104490012.db2.gz FINJZTFIUWTVHJ-BEFAXECRSA-N 0 0 316.445 3.455 20 10 DGCDRN CC[C@@H](C)NC(=O)[C@@H]1CC12CCN(c1ccc(OC)cc1)CC2 ZINC001274790843 1104490037 /nfs/dbraw/zinc/49/00/37/1104490037.db2.gz MGOWSNBJESOIPF-PBHICJAKSA-N 0 0 316.445 3.216 20 10 DGCDRN COc1ccc(N2CCC[C@@]23CCN(CC=C(C)C)C3=O)cc1 ZINC001274791216 1104491888 /nfs/dbraw/zinc/49/18/88/1104491888.db2.gz QQNAEMDWAFWQEP-IBGZPJMESA-N 0 0 314.429 3.233 20 10 DGCDRN CCCCN1CC[C@]2(CCCN2c2ccc(OC)cc2)C1=O ZINC001274791983 1104497640 /nfs/dbraw/zinc/49/76/40/1104497640.db2.gz XODXXVNRKJVFCR-GOSISDBHSA-N 0 0 302.418 3.067 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC001330265168 1104525021 /nfs/dbraw/zinc/52/50/21/1104525021.db2.gz JQPAXZFTCNHGDL-GRYCIOLGSA-N 0 0 322.315 3.013 20 10 DGCDRN COc1ccc(N2CCC[C@@]23CCN(CC(C)C)C3=O)cc1F ZINC001274865856 1104527649 /nfs/dbraw/zinc/52/76/49/1104527649.db2.gz MMAYOFNNZHSAIM-SFHVURJKSA-N 0 0 320.408 3.062 20 10 DGCDRN CC[C@@H](C)N1CC[C@]2(CCN(c3ccc(OC)cc3C)C2)C1=O ZINC001274875371 1104527773 /nfs/dbraw/zinc/52/77/73/1104527773.db2.gz SZVQFUPJLMSHJW-BEFAXECRSA-N 0 0 316.445 3.231 20 10 DGCDRN COc1ccc(N2CCC[C@]23CCN(CC(C)C)C3=O)cc1F ZINC001274865855 1104528169 /nfs/dbraw/zinc/52/81/69/1104528169.db2.gz MMAYOFNNZHSAIM-GOSISDBHSA-N 0 0 320.408 3.062 20 10 DGCDRN Cc1cc(O)c(CN2CCO[C@]3(CCSC3)C2)cc1Cl ZINC001330818326 1104654080 /nfs/dbraw/zinc/65/40/80/1104654080.db2.gz OHUCOUNLKZGUKY-OAHLLOKOSA-N 0 0 313.850 3.062 20 10 DGCDRN Cc1ccc(F)cc1-c1noc(Cc2ccc(O)c(O)c2)n1 ZINC001247959482 1105021474 /nfs/dbraw/zinc/02/14/74/1105021474.db2.gz RGFBPAWENQLXFB-UHFFFAOYSA-N 0 0 300.289 3.186 20 10 DGCDRN Oc1ccc(Cc2nc(-c3cccc4ccncc43)no2)cc1O ZINC001247959282 1105021796 /nfs/dbraw/zinc/02/17/96/1105021796.db2.gz PNPQRZDOSWGZOS-UHFFFAOYSA-N 0 0 319.320 3.287 20 10 DGCDRN Cn1ccc2cc(-c3noc(Cc4ccc(O)c(O)c4)n3)ccc21 ZINC001247959755 1105021802 /nfs/dbraw/zinc/02/18/02/1105021802.db2.gz WLRAMHGYBDOHPX-UHFFFAOYSA-N 0 0 321.336 3.230 20 10 DGCDRN COc1ccncc1-c1noc(/C=C/c2ccc(N(C)C)cc2)n1 ZINC001248038785 1105036655 /nfs/dbraw/zinc/03/66/55/1105036655.db2.gz FRGSBLSJEROZAY-RMKNXTFCSA-N 0 0 322.368 3.377 20 10 DGCDRN COc1cc(F)c(F)cc1-c1noc(Cc2ccc(N)cc2)n1 ZINC001248184160 1105062508 /nfs/dbraw/zinc/06/25/08/1105062508.db2.gz PLJJHTFAHLPFJX-UHFFFAOYSA-N 0 0 317.295 3.196 20 10 DGCDRN CCN1CCc2ccc(-c3noc(Cc4ccc(N)cc4)n3)cc21 ZINC001248183105 1105062799 /nfs/dbraw/zinc/06/27/99/1105062799.db2.gz DDUHLGBWZSAQAV-UHFFFAOYSA-N 0 0 320.396 3.292 20 10 DGCDRN Nc1ccc(Cc2nc(-c3ccc4cnccc4c3)no2)cc1 ZINC001248183757 1105062828 /nfs/dbraw/zinc/06/28/28/1105062828.db2.gz LUKGXURCSOQKFB-UHFFFAOYSA-N 0 0 302.337 3.458 20 10 DGCDRN CC[C@@H](O)Cc1nc(-c2ccc(-n3c(C)ccc3C)cc2)no1 ZINC001249167682 1105237545 /nfs/dbraw/zinc/23/75/45/1105237545.db2.gz FOFLTCZWIRNUBW-MRXNPFEDSA-N 0 0 311.385 3.458 20 10 DGCDRN CC1(C)C=Cc2c(O)c(CN3CCC(=O)[C@H](F)CC3)ccc2O1 ZINC001249223362 1105249517 /nfs/dbraw/zinc/24/95/17/1105249517.db2.gz DTHKMHRAHKVBKU-CQSZACIVSA-N 0 0 319.376 3.079 20 10 DGCDRN CC1(C)C=Cc2c(O)c(CN3CCCC(=O)CC3)ccc2O1 ZINC001249230956 1105252744 /nfs/dbraw/zinc/25/27/44/1105252744.db2.gz YLASYRMQNPMSDT-UHFFFAOYSA-N 0 0 301.386 3.131 20 10 DGCDRN CCc1cccc(C)c1NC(=S)NCc1ccc(OC)cn1 ZINC001249573176 1105318254 /nfs/dbraw/zinc/31/82/54/1105318254.db2.gz YSGNLTNNTLBVDU-UHFFFAOYSA-N 0 0 315.442 3.448 20 10 DGCDRN CCOC(=O)CCCOc1ccc(C[NH+]2CCCCC2)c(O)c1 ZINC001249724617 1105366548 /nfs/dbraw/zinc/36/65/48/1105366548.db2.gz ICWWJSTZYXNGPC-UHFFFAOYSA-N 0 0 321.417 3.100 20 10 DGCDRN Cc1cc(CN2CCCC(=O)CC2)c(O)cc1Br ZINC001250123825 1105447077 /nfs/dbraw/zinc/44/70/77/1105447077.db2.gz VIBXJAMJFRLHHC-UHFFFAOYSA-N 0 0 312.207 3.018 20 10 DGCDRN Cc1cc(F)c(CC(=O)N(C)Cc2ccccc2O)cc1F ZINC001137345727 1105493266 /nfs/dbraw/zinc/49/32/66/1105493266.db2.gz UYNKFIQAYSBZNO-UHFFFAOYSA-N 0 0 305.324 3.180 20 10 DGCDRN CN(C)c1ccc(Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC001250433751 1105515016 /nfs/dbraw/zinc/51/50/16/1105515016.db2.gz AOHOKKCEQMYXBZ-UHFFFAOYSA-N 0 0 314.404 3.319 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2ccnc(C)c2)C1 ZINC001137415446 1105518692 /nfs/dbraw/zinc/51/86/92/1105518692.db2.gz XMPSDJNTNHIKSH-UHFFFAOYSA-N 0 0 321.424 3.449 20 10 DGCDRN CCN(CC)c1ccc(-c2nc3cc(C(N)=O)ccc3[nH]2)cc1 ZINC001250468918 1105519008 /nfs/dbraw/zinc/51/90/08/1105519008.db2.gz RVCPJSIVDYMGMU-UHFFFAOYSA-N 0 0 308.385 3.175 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)c(C=O)s2)c1 ZINC001137473586 1105529048 /nfs/dbraw/zinc/52/90/48/1105529048.db2.gz OKAQHRYJGZCZAH-SNVBAGLBSA-N 0 0 319.382 3.074 20 10 DGCDRN Oc1cc(O)c(-c2nc3cc(-c4ccncc4)ccc3[nH]2)cc1O ZINC001251358196 1105652334 /nfs/dbraw/zinc/65/23/34/1105652334.db2.gz BJGPAKAOZDPNTD-UHFFFAOYSA-N 0 0 319.320 3.409 20 10 DGCDRN COc1ccc(-c2nnc(-c3cc4cc(O)c(O)cc4[nH]3)o2)cc1 ZINC001251965379 1105715744 /nfs/dbraw/zinc/71/57/44/1105715744.db2.gz XMMGTGBQMXGBEZ-UHFFFAOYSA-N 0 0 323.308 3.305 20 10 DGCDRN CN(C)c1ccc(-c2nnc(/C=C/c3ccc(O)c(O)c3)o2)cc1 ZINC001252303571 1105765600 /nfs/dbraw/zinc/76/56/00/1105765600.db2.gz JRHHACVUBDIDNI-ONNFQVAWSA-N 0 0 323.352 3.384 20 10 DGCDRN CCS(=O)(=O)Nc1ccccc1C(=O)c1ccc(Cl)cc1 ZINC001253354912 1105926572 /nfs/dbraw/zinc/92/65/72/1105926572.db2.gz CAPREFQKISHYOW-UHFFFAOYSA-N 0 0 323.801 3.333 20 10 DGCDRN Nc1ccc(CCn2cc(CSc3ccccc3)nn2)cc1 ZINC001254081573 1106015468 /nfs/dbraw/zinc/01/54/68/1106015468.db2.gz WLEQGVOLIULFDM-UHFFFAOYSA-N 0 0 310.426 3.395 20 10 DGCDRN COC[C@H](NCc1ccc(N2CCCC2)cc1)c1ccco1 ZINC001254184485 1106030405 /nfs/dbraw/zinc/03/04/05/1106030405.db2.gz OCVHVJGAYSIUBH-KRWDZBQOSA-N 0 0 300.402 3.357 20 10 DGCDRN c1ccn(-c2ccc(-c3nnc(CC[C@@H]4CCOC4)o3)cc2)c1 ZINC001256935172 1106514013 /nfs/dbraw/zinc/51/40/13/1106514013.db2.gz FUZMOOFNMKVQCV-CQSZACIVSA-N 0 0 309.369 3.496 20 10 DGCDRN Cc1n[nH]c(C)c1Cc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256930502 1106514062 /nfs/dbraw/zinc/51/40/62/1106514062.db2.gz KBYLBRFUJMJHAD-UHFFFAOYSA-N 0 0 319.368 3.458 20 10 DGCDRN O=c1ccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)n[nH]1 ZINC001256970588 1106518534 /nfs/dbraw/zinc/51/85/34/1106518534.db2.gz XDRWABYHLJJRSA-CYBMUJFWSA-N 0 0 305.297 3.117 20 10 DGCDRN Cc1nccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)n1 ZINC001256975215 1106519188 /nfs/dbraw/zinc/51/91/88/1106519188.db2.gz UNEMLECMIJCHOC-UHFFFAOYSA-N 0 0 303.325 3.293 20 10 DGCDRN Cc1cc(N)ncc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256978712 1106519897 /nfs/dbraw/zinc/51/98/97/1106519897.db2.gz QLTSNIHXAQGCMQ-UHFFFAOYSA-N 0 0 317.352 3.480 20 10 DGCDRN CCN1C(=O)/C(=C/c2nc3c(s2)C[C@@H](C)CC3)SC1=S ZINC001320399801 1106994024 /nfs/dbraw/zinc/99/40/24/1106994024.db2.gz WKQGUNKLYOXXJO-CLUBXZQOSA-N 0 0 324.496 3.489 20 10 DGCDRN CCN(Cc1ccccc1O)S(=O)(=O)c1cc(F)ccc1C ZINC001258925728 1107059449 /nfs/dbraw/zinc/05/94/49/1107059449.db2.gz VIMRKXYFMHZZTC-UHFFFAOYSA-N 0 0 323.389 3.051 20 10 DGCDRN CC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2C)cc1 ZINC001259177168 1107091822 /nfs/dbraw/zinc/09/18/22/1107091822.db2.gz GNTMOXHVGJVJLF-UHFFFAOYSA-N 0 0 319.382 3.012 20 10 DGCDRN CN(Cc1cc2ccccc2[nH]1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001320757236 1107126660 /nfs/dbraw/zinc/12/66/60/1107126660.db2.gz VFGNBAOZEBTRMP-VQHVLOKHSA-N 0 0 322.364 3.251 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2nccc(Cl)c2F)c1 ZINC001320798668 1107143376 /nfs/dbraw/zinc/14/33/76/1107143376.db2.gz RAOJNHHNIGJMMV-MRVPVSSYSA-N 0 0 324.739 3.079 20 10 DGCDRN O=S(=O)(Nc1ccc(O)cc1C(F)(F)F)C1CCCCC1 ZINC001259815243 1107207927 /nfs/dbraw/zinc/20/79/27/1107207927.db2.gz UNQVOHVUENKLEV-UHFFFAOYSA-N 0 0 323.336 3.485 20 10 DGCDRN c1cc(-c2nnc(NCc3ccc(N4CCCC4)cc3)o2)ccn1 ZINC001321164094 1107270762 /nfs/dbraw/zinc/27/07/62/1107270762.db2.gz VHXJAXNFWZHRNX-UHFFFAOYSA-N 0 0 321.384 3.344 20 10 DGCDRN CC[C@H](C)S(=O)(=O)Nc1cccc2c1C(=O)c1ccccc1-2 ZINC001260742003 1107309006 /nfs/dbraw/zinc/30/90/06/1107309006.db2.gz VNLBDSPIILLMIP-NSHDSACASA-N 0 0 315.394 3.438 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N(C)C[C@@H](C)O)c1 ZINC001261224532 1107365756 /nfs/dbraw/zinc/36/57/56/1107365756.db2.gz OBGJHWYICHGWCY-CYBMUJFWSA-N 0 0 320.820 3.200 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC001261377028 1107424337 /nfs/dbraw/zinc/42/43/37/1107424337.db2.gz GEXAFTDNHBNLQK-CVEARBPZSA-N 0 0 301.434 3.033 20 10 DGCDRN CCOCc1cc(C[NH2+][C@H](C(=O)[O-])C(C)(C)CC)ccc1OC ZINC001261491349 1107444532 /nfs/dbraw/zinc/44/45/32/1107444532.db2.gz RVQRIMRJWNEFNH-MRXNPFEDSA-N 0 0 323.433 3.211 20 10 DGCDRN CCOc1ccc(O)c(CN(C)Cc2cc(C(C)(C)C)n[nH]2)c1 ZINC001322140678 1107538747 /nfs/dbraw/zinc/53/87/47/1107538747.db2.gz NWVYSNKBGQVTAD-UHFFFAOYSA-N 0 0 317.433 3.444 20 10 DGCDRN Cc1ccc(C[C@H](C)NC(=O)N2Cc3cccc(O)c3C2)s1 ZINC001261962739 1107564916 /nfs/dbraw/zinc/56/49/16/1107564916.db2.gz COHIMBUAYCXNDM-NSHDSACASA-N 0 0 316.426 3.419 20 10 DGCDRN CCCC1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC001322271612 1107603290 /nfs/dbraw/zinc/60/32/90/1107603290.db2.gz DSQVUEQEOXVYKN-UHFFFAOYSA-N 0 0 303.450 3.474 20 10 DGCDRN CSCc1nnc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)[n-]1 ZINC001262077540 1107605216 /nfs/dbraw/zinc/60/52/16/1107605216.db2.gz GZFWGAJYIWFXNX-MNOVXSKESA-N 0 0 318.446 3.020 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)C3CC(C)(C)C3)CC2)cc1 ZINC001322457786 1107679298 /nfs/dbraw/zinc/67/92/98/1107679298.db2.gz HUOFSHHLLWNCJC-UHFFFAOYSA-N 0 0 316.445 3.170 20 10 DGCDRN C[C@H]1CCc2nc(CNCc3c(O)cccc3F)sc2C1 ZINC001262375370 1107704605 /nfs/dbraw/zinc/70/46/05/1107704605.db2.gz HLHHBMUNPPIFER-JTQLQIEISA-N 0 0 306.406 3.402 20 10 DGCDRN CC(C)[C@H]1C[C@H](C(=O)Nc2c3nonc3ccc2Cl)CCO1 ZINC001262487838 1107719255 /nfs/dbraw/zinc/71/92/55/1107719255.db2.gz HPZYWBDWAUDWGW-BXKDBHETSA-N 0 0 323.780 3.266 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccns1 ZINC001262604407 1107735525 /nfs/dbraw/zinc/73/55/25/1107735525.db2.gz QNSYPANBRDNVSV-UHFFFAOYSA-N 0 0 303.431 3.260 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)[C@H]1CCC(F)(F)C1 ZINC001323708193 1108060171 /nfs/dbraw/zinc/06/01/71/1108060171.db2.gz XGUKMSIDJFQZJF-LURJTMIESA-N 0 0 301.680 3.250 20 10 DGCDRN Cc1ccccc1OCC(=O)Nc1c2nonc2ccc1Cl ZINC001324142124 1108187573 /nfs/dbraw/zinc/18/75/73/1108187573.db2.gz XANOVVLSLROTMJ-UHFFFAOYSA-N 0 0 317.732 3.202 20 10 DGCDRN O=C(NCc1ccccc1O)C(F)(F)c1ccc(Cl)cc1 ZINC001319272317 1108394723 /nfs/dbraw/zinc/39/47/23/1108394723.db2.gz GRVLDTKRSSDXCL-UHFFFAOYSA-N 0 0 311.715 3.454 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC2CCC1CC2 ZINC001324835811 1108481126 /nfs/dbraw/zinc/48/11/26/1108481126.db2.gz PAAVBOQPMDXSJX-UHFFFAOYSA-N 0 0 301.434 3.145 20 10 DGCDRN C[C@H](NCc1ccc(N2CCCC2)cc1)C(=O)OC(C)(C)C ZINC001319513177 1108501421 /nfs/dbraw/zinc/50/14/21/1108501421.db2.gz OVOCPCSNNCQDIW-AWEZNQCLSA-N 0 0 304.434 3.107 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Nc2nocc2C)cc1 ZINC001319526422 1108508223 /nfs/dbraw/zinc/50/82/23/1108508223.db2.gz SNBINJMXBGLLII-UHFFFAOYSA-N 0 0 302.378 3.151 20 10 DGCDRN CC/C=C(\C)C(=O)N1CCN(c2ccc(OCC)cc2)CC1 ZINC001319603543 1108549597 /nfs/dbraw/zinc/54/95/97/1108549597.db2.gz JYMLBIGDTHUXLZ-GIDUJCDVSA-N 0 0 302.418 3.090 20 10 DGCDRN C[C@@H](Nc1ccc(CCC(N)=O)cc1)c1cc(F)ccc1O ZINC001325356799 1108631065 /nfs/dbraw/zinc/63/10/65/1108631065.db2.gz MRIKCGKOUAWXSH-LLVKDONJSA-N 0 0 302.349 3.122 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H]1C1CCCCC1 ZINC001291756623 1110275196 /nfs/dbraw/zinc/27/51/96/1110275196.db2.gz MSEPBYPQEQSJKV-HNNXBMFYSA-N 0 0 303.402 3.212 20 10 DGCDRN O=C(NCc1ccc(OC(F)F)cc1F)C1=CC(=O)CS1 ZINC001302522494 1111117134 /nfs/dbraw/zinc/11/71/34/1111117134.db2.gz XKEDDJCKRVMNSK-UHFFFAOYSA-N 0 0 317.288 3.124 20 10 DGCDRN O=C(CCC(=O)N1Cc2cccc(O)c2C1)c1cccc(F)c1 ZINC001302786878 1111125231 /nfs/dbraw/zinc/12/52/31/1111125231.db2.gz KIKXOIJNPLCYSM-UHFFFAOYSA-N 0 0 313.328 3.037 20 10 DGCDRN CCOc1cccc(/C=C\C(=O)N2Cc3cccc(O)c3C2)c1 ZINC001302786902 1111125315 /nfs/dbraw/zinc/12/53/15/1111125315.db2.gz KXEGAQUNVUPPGU-KTKRTIGZSA-N 0 0 309.365 3.347 20 10 DGCDRN C[C@@H](SCc1ccccc1)C(=O)NCc1c(O)cccc1F ZINC001303878594 1111156637 /nfs/dbraw/zinc/15/66/37/1111156637.db2.gz OEMZLGPOSQXGTM-GFCCVEGCSA-N 0 0 319.401 3.469 20 10 DGCDRN Cc1cc(C(=O)Nc2c[nH][nH]c2=O)c(C)n1-c1ccccc1C ZINC001306848481 1111244647 /nfs/dbraw/zinc/24/46/47/1111244647.db2.gz NNGHRERLXWBSAN-UHFFFAOYSA-N 0 0 310.357 3.084 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2Cc3ccccc3C2)cc1OC ZINC001306959175 1111254602 /nfs/dbraw/zinc/25/46/02/1111254602.db2.gz NTWNCKXEFAGZSM-UHFFFAOYSA-N 0 0 300.314 3.132 20 10 DGCDRN CCCCc1cc(N[C@H](C)Cc2ccc(O)c(O)c2)ncn1 ZINC001307091939 1111264502 /nfs/dbraw/zinc/26/45/02/1111264502.db2.gz LBNFHPPTUWQELJ-GFCCVEGCSA-N 0 0 301.390 3.274 20 10 DGCDRN O=[N+]([O-])c1cc2ccccc2nc1N1Cc2cccc(O)c2C1 ZINC001307192929 1111277591 /nfs/dbraw/zinc/27/75/91/1111277591.db2.gz MUWPTFPSPGWRNQ-UHFFFAOYSA-N 0 0 307.309 3.369 20 10 DGCDRN COc1ccc(N(C)CC(=O)c2ccccc2F)c(OC)c1 ZINC001307597449 1111318587 /nfs/dbraw/zinc/31/85/87/1111318587.db2.gz HNRRTFUDBCWLMP-UHFFFAOYSA-N 0 0 303.333 3.162 20 10 DGCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2CCO[C@H]1CCOC1 ZINC001307864335 1111348371 /nfs/dbraw/zinc/34/83/71/1111348371.db2.gz UVABWUFOZLEUIJ-AEFFLSMTSA-N 0 0 319.445 3.135 20 10 DGCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2CCO[C@@H]1CCOC1 ZINC001307864337 1111348507 /nfs/dbraw/zinc/34/85/07/1111348507.db2.gz UVABWUFOZLEUIJ-SJLPKXTDSA-N 0 0 319.445 3.135 20 10 DGCDRN CCN(C)c1ccc(CN[C@H](c2nc(C)no2)C(C)C)cc1 ZINC001308176842 1111390879 /nfs/dbraw/zinc/39/08/79/1111390879.db2.gz DPBKDJMYFGLSHV-INIZCTEOSA-N 0 0 302.422 3.321 20 10 DGCDRN CNC(=O)c1cccc(NC/C=C\c2ccc(N(C)C)cc2)c1 ZINC001308308744 1111414291 /nfs/dbraw/zinc/41/42/91/1111414291.db2.gz CEPJJADXQDEUMP-WAYWQWQTSA-N 0 0 309.413 3.238 20 10 DGCDRN CCC(CC)[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCO1 ZINC001308351911 1111420217 /nfs/dbraw/zinc/42/02/17/1111420217.db2.gz ABSDOULWHPOBRW-RHSMWYFYSA-N 0 0 322.405 3.374 20 10 DGCDRN CCOc1ccc(CC[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC001308541407 1111440166 /nfs/dbraw/zinc/44/01/66/1111440166.db2.gz TVHKIBZAYCITOD-UHFFFAOYSA-N 0 0 307.340 3.401 20 10 DGCDRN Oc1cc(Cl)ccc1C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC001308643289 1111454851 /nfs/dbraw/zinc/45/48/51/1111454851.db2.gz VAUUHOQRACKKMW-QGZVFWFLSA-N 0 0 321.779 3.278 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC001308791764 1111475591 /nfs/dbraw/zinc/47/55/91/1111475591.db2.gz HDONVROJVITEHY-JKSUJKDBSA-N 0 0 309.356 3.204 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]CCc1c(F)cc(O)cc1F ZINC001308950660 1111498635 /nfs/dbraw/zinc/49/86/35/1111498635.db2.gz SECBUQVNNIOPQE-UHFFFAOYSA-N 0 0 313.731 3.362 20 10 DGCDRN CCCc1ccccc1S(=O)(=O)NCc1cc(C)ccc1O ZINC001309698156 1111536701 /nfs/dbraw/zinc/53/67/01/1111536701.db2.gz DPGPXUALZYENLA-UHFFFAOYSA-N 0 0 319.426 3.132 20 10 DGCDRN Cc1cc(NC(=O)N[C@H](C)c2ccccc2O)cc([N+](=O)[O-])c1 ZINC001311323032 1111595146 /nfs/dbraw/zinc/59/51/46/1111595146.db2.gz PYJNVRHKJUSJKZ-LLVKDONJSA-N 0 0 315.329 3.492 20 10 DGCDRN CN1CCCc2cc(CNC(=O)NC(C)(C)C3CCC3)ccc21 ZINC001311726808 1111616180 /nfs/dbraw/zinc/61/61/80/1111616180.db2.gz CFKCARAYWRBFRK-UHFFFAOYSA-N 0 0 315.461 3.447 20 10 DGCDRN Cc1cc2cc(CNC(=O)N3Cc4cccc(O)c4C3)ccc2[nH]1 ZINC001312653474 1111665087 /nfs/dbraw/zinc/66/50/87/1111665087.db2.gz OGYSHWSWJSXTHN-UHFFFAOYSA-N 0 0 321.380 3.407 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@]2(C)CC2(C)C)c1 ZINC001313225215 1111702123 /nfs/dbraw/zinc/70/21/23/1111702123.db2.gz PCWNHKNVQVYOEZ-DIFFPNOSSA-N 0 0 306.406 3.197 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CCCC(=O)C(C)(C)C)cc1 ZINC000294550774 529780850 /nfs/dbraw/zinc/78/08/50/529780850.db2.gz VTIRIEBJBIFEQX-UHFFFAOYSA-N 0 0 304.434 3.154 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCc1cnc(C)s1 ZINC000108929338 185541382 /nfs/dbraw/zinc/54/13/82/185541382.db2.gz YTLQMZVRFSUVPI-UHFFFAOYSA-N 0 0 319.430 3.279 20 10 DGCDRN Cn1ccc(/C=C/C(=O)N2CCC[C@H](O)c3cc(F)ccc32)c1 ZINC000493730948 282701779 /nfs/dbraw/zinc/70/17/79/282701779.db2.gz YWZAZZOSXAIYCX-PFWMLDTASA-N 0 0 314.360 3.038 20 10 DGCDRN O=C(C1CCCCC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000072622167 191204479 /nfs/dbraw/zinc/20/44/79/191204479.db2.gz VSHPNYLAPYCDQN-QGZVFWFLSA-N 0 0 317.429 3.480 20 10 DGCDRN C[C@H](Sc1ncc(C(C)(C)C)s1)C(=O)Nc1ncccn1 ZINC000164367703 432047065 /nfs/dbraw/zinc/04/70/65/432047065.db2.gz MOQMAKKJVXGAHM-VIFPVBQESA-N 0 0 322.459 3.350 20 10 DGCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CCC1 ZINC000081203138 192236263 /nfs/dbraw/zinc/23/62/63/192236263.db2.gz WRVQWEROMRTQCZ-CYBMUJFWSA-N 0 0 324.371 3.173 20 10 DGCDRN COc1ccc([C@@H](C)N(C)C(=O)c2ccc(C)c(O)c2O)cc1 ZINC000179410771 432057270 /nfs/dbraw/zinc/05/72/70/432057270.db2.gz FJBGAPCDSTYJDD-GFCCVEGCSA-N 0 0 315.369 3.248 20 10 DGCDRN CCn1c2ccccc2nc1[C@@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000166301761 432059853 /nfs/dbraw/zinc/05/98/53/432059853.db2.gz PLVWZZPXDIAQEZ-CYBMUJFWSA-N 0 0 322.412 3.058 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](C)SC ZINC000134001637 432072466 /nfs/dbraw/zinc/07/24/66/432072466.db2.gz BYCZGTDGIVOMKD-CYBMUJFWSA-N 0 0 309.479 3.036 20 10 DGCDRN CCN(Cc1ncc(Cl)n1C)c1ccc(OC)c(OC)c1 ZINC000299303682 535392312 /nfs/dbraw/zinc/39/23/12/535392312.db2.gz ZKVOOKCCIRYJHX-UHFFFAOYSA-N 0 0 309.797 3.117 20 10 DGCDRN CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000179931883 432074866 /nfs/dbraw/zinc/07/48/66/432074866.db2.gz JQCAVNFELYHIHZ-CYBMUJFWSA-N 0 0 324.852 3.174 20 10 DGCDRN Cc1ccc2oc(C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2n1 ZINC000170919483 432087009 /nfs/dbraw/zinc/08/70/09/432087009.db2.gz AEDKKLXFBXLZFR-UHFFFAOYSA-N 0 0 323.396 3.474 20 10 DGCDRN O=C(/C=C/c1cncs1)N1CCCc2cc(F)c(F)cc21 ZINC000493166347 283726019 /nfs/dbraw/zinc/72/60/19/283726019.db2.gz YHPCBJTUKASXHM-ONEGZZNKSA-N 0 0 306.337 3.414 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccn(C)c1 ZINC000268568311 432105149 /nfs/dbraw/zinc/10/51/49/432105149.db2.gz HKICAAQHOJVRPI-UHFFFAOYSA-N 0 0 311.429 3.288 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCC(C)(F)F ZINC000454869591 242051542 /nfs/dbraw/zinc/05/15/42/242051542.db2.gz GFLUESISVFFFCA-UHFFFAOYSA-N 0 0 309.360 3.331 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000458734217 243141873 /nfs/dbraw/zinc/14/18/73/243141873.db2.gz HZEUNAJYAGVYQI-VNQPRFMTSA-N 0 0 311.429 3.475 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Cc2cccc(O)c2)cc1 ZINC000171260431 432118595 /nfs/dbraw/zinc/11/85/95/432118595.db2.gz XRSKANWMCGJAAF-UHFFFAOYSA-N 0 0 312.413 3.097 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(O)c(C)c1 ZINC000473268442 244329393 /nfs/dbraw/zinc/32/93/93/244329393.db2.gz HWHFEAKSNBIBKQ-UHFFFAOYSA-N 0 0 308.381 3.431 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)/C=C\c1cncc(F)c1 ZINC000492701033 245777274 /nfs/dbraw/zinc/77/72/74/245777274.db2.gz DRNZUELLCHYTSN-FPLPWBNLSA-N 0 0 323.371 3.350 20 10 DGCDRN O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCOCc2ccccc21 ZINC000492709577 245779724 /nfs/dbraw/zinc/77/97/24/245779724.db2.gz RDHBKLCSKTYJFC-KTKRTIGZSA-N 0 0 324.336 3.171 20 10 DGCDRN Cc1c(/C=C\C(=O)N(C)c2ccc(OC(C)C)cc2)cnn1C ZINC000493096366 245885460 /nfs/dbraw/zinc/88/54/60/245885460.db2.gz WCWKVYUQGCHQTN-WDZFZDKYSA-N 0 0 313.401 3.192 20 10 DGCDRN O=C(/C=C\c1cncs1)N(Cc1ccccn1)c1cccnc1 ZINC000493561478 246010286 /nfs/dbraw/zinc/01/02/86/246010286.db2.gz SOOCSKZLEHSMLE-SREVYHEPSA-N 0 0 322.393 3.180 20 10 DGCDRN O=C(/C=C\c1cnccn1)N(Cc1ccsc1)c1cccnc1 ZINC000493699418 246044588 /nfs/dbraw/zinc/04/45/88/246044588.db2.gz VTVLTRWCZCLFPA-ARJAWSKDSA-N 0 0 322.393 3.180 20 10 DGCDRN Cc1cccc(N(C)C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000493749541 246057662 /nfs/dbraw/zinc/05/76/62/246057662.db2.gz GREOVUVAHQLDQP-CLFYSBASSA-N 0 0 315.304 3.114 20 10 DGCDRN COc1cccc(CNC(=O)CC(C)(C)c2ccccc2)c1O ZINC000105651090 194117870 /nfs/dbraw/zinc/11/78/70/194117870.db2.gz VKCKZQGDICXJLF-UHFFFAOYSA-N 0 0 313.397 3.385 20 10 DGCDRN COc1ccc(N2CCN(c3nc4ccccc4o3)CC2)cc1 ZINC000069475724 184518155 /nfs/dbraw/zinc/51/81/55/184518155.db2.gz OLWHKCCECNTAGO-UHFFFAOYSA-N 0 0 309.369 3.163 20 10 DGCDRN COc1cc(N(C)Cc2ccsc2)c([N+](=O)[O-])cc1OC ZINC000301927383 532952755 /nfs/dbraw/zinc/95/27/55/532952755.db2.gz NFZBWKHNMQVCDF-UHFFFAOYSA-N 0 0 308.359 3.310 20 10 DGCDRN COC1(CC(=O)NCc2c(C)c3ccccc3n2C)CCC1 ZINC000348658481 532983460 /nfs/dbraw/zinc/98/34/60/532983460.db2.gz DWGLZDUHFJQMII-UHFFFAOYSA-N 0 0 300.402 3.062 20 10 DGCDRN COc1cccc(CNc2ccnc(Cc3ccccc3)n2)c1O ZINC000166335604 533519040 /nfs/dbraw/zinc/51/90/40/533519040.db2.gz WRPOYQZHXKXPMG-UHFFFAOYSA-N 0 0 321.380 3.394 20 10 DGCDRN COCC[C@@H]([NH2+]Cc1cccc(OC)c1O)c1ccc(C)o1 ZINC000272378693 130023700 /nfs/dbraw/zinc/02/37/00/130023700.db2.gz YEDAXPQTNLVPHE-CQSZACIVSA-N 0 0 305.374 3.170 20 10 DGCDRN CO[C@H](C)CCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000272749712 130059495 /nfs/dbraw/zinc/05/94/95/130059495.db2.gz LCLXLVIEUCSOSE-OAHLLOKOSA-N 0 0 306.450 3.305 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)c2ccc(F)cn2)C2CC2)cc1 ZINC000272907917 130073500 /nfs/dbraw/zinc/07/35/00/130073500.db2.gz FTEZTLANMIADAF-UHFFFAOYSA-N 0 0 313.376 3.092 20 10 DGCDRN C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1[O-] ZINC000273354343 130110167 /nfs/dbraw/zinc/11/01/67/130110167.db2.gz CGBFDVBDPHJAHL-NSHDSACASA-N 0 0 304.321 3.333 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCc2c1cccc2O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273469108 130124985 /nfs/dbraw/zinc/12/49/85/130124985.db2.gz FGJVEUUEOGMTHC-BONVTDFDSA-N 0 0 314.341 3.344 20 10 DGCDRN CCC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCOCC1 ZINC000273563879 130137123 /nfs/dbraw/zinc/13/71/23/130137123.db2.gz IYOYMNBDQKWZFV-LBPRGKRZSA-N 0 0 308.378 3.158 20 10 DGCDRN Cc1noc(C)c1C[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273605208 130144350 /nfs/dbraw/zinc/14/43/50/130144350.db2.gz TZXRWYLBMPIWDL-NXEZZACHSA-N 0 0 319.361 3.187 20 10 DGCDRN CCC[C@](C)(NCc1ccc(OC)c(COCC)c1)C(=O)OC ZINC000273914551 130186022 /nfs/dbraw/zinc/18/60/22/130186022.db2.gz YIASKIVEOOXOPX-SFHVURJKSA-N 0 0 323.433 3.053 20 10 DGCDRN C[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccc(F)cc1[O-] ZINC000281434512 130860835 /nfs/dbraw/zinc/86/08/35/130860835.db2.gz CIEPMENKFPMXEX-NSHDSACASA-N 0 0 321.421 3.307 20 10 DGCDRN C[C@@H]1C[C@@H](C)[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)O1 ZINC000282529363 130927275 /nfs/dbraw/zinc/92/72/75/130927275.db2.gz LQVUPFSGAYFWQC-HBUWYVDXSA-N 0 0 316.445 3.057 20 10 DGCDRN CCCOc1ccc(CNc2ncnn2C(C)(C)C)c(O)c1 ZINC000282521192 130927361 /nfs/dbraw/zinc/92/73/61/130927361.db2.gz GLHQUWMQOAFUJV-UHFFFAOYSA-N 0 0 304.394 3.140 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCC[C@H](C)OC ZINC000283554716 131002738 /nfs/dbraw/zinc/00/27/38/131002738.db2.gz FJBTYOUZSUTATB-AWEZNQCLSA-N 0 0 308.422 3.129 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H](COC)C1CC1 ZINC000283648970 131010558 /nfs/dbraw/zinc/01/05/58/131010558.db2.gz OCNQABQLIQBOOH-MRXNPFEDSA-N 0 0 320.433 3.129 20 10 DGCDRN Cc1cc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])n(C)n1 ZINC000283880997 131031143 /nfs/dbraw/zinc/03/11/43/131031143.db2.gz JBAHBSNELLJSAK-UHFFFAOYSA-N 0 0 300.189 3.031 20 10 DGCDRN CCCOc1ccc(CNc2ncc(COC)s2)c(O)c1 ZINC000285132622 131141102 /nfs/dbraw/zinc/14/11/02/131141102.db2.gz JLNKQXWAIZCCBQ-UHFFFAOYSA-N 0 0 308.403 3.396 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CCC(=O)c2ccccc21 ZINC000285429352 131167217 /nfs/dbraw/zinc/16/72/17/131167217.db2.gz XOXAEFDMCDBFSF-INIZCTEOSA-N 0 0 309.365 3.111 20 10 DGCDRN Cc1noc([C@H]2CCCCN2Cc2ccc(N(C)C)cc2)n1 ZINC000285879300 131207521 /nfs/dbraw/zinc/20/75/21/131207521.db2.gz ZJZLYEPOPOVHJW-MRXNPFEDSA-N 0 0 300.406 3.171 20 10 DGCDRN CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2ccc(F)cc2[O-])[C@@]12CCCO2 ZINC000286352182 131232387 /nfs/dbraw/zinc/23/23/87/131232387.db2.gz ZFZWKTAPKCEASA-OWLYRPNTSA-N 0 0 323.408 3.299 20 10 DGCDRN CCOC(=O)C[C@@H](Sc1ncc(C(C)(C)C)s1)C(C)=O ZINC000286450193 131237176 /nfs/dbraw/zinc/23/71/76/131237176.db2.gz INYBLYSNTJKZFI-SNVBAGLBSA-N 0 0 315.460 3.444 20 10 DGCDRN Cc1cccc(CCC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000287289633 131273890 /nfs/dbraw/zinc/27/38/90/131273890.db2.gz DDQJAOYDNDMKEX-ZDUSSCGKSA-N 0 0 315.373 3.287 20 10 DGCDRN CC[C@@H]([NH2+]CCCNC(=O)C1CCC1)c1cccc(Cl)c1[O-] ZINC000287561271 131287397 /nfs/dbraw/zinc/28/73/97/131287397.db2.gz GGXJLXDLKOZXQU-OAHLLOKOSA-N 0 0 324.852 3.393 20 10 DGCDRN Cc1cc(C(=O)NCC2=CCCOC2)c(C)n1-c1ccccc1C ZINC000288076374 131311751 /nfs/dbraw/zinc/31/17/51/131311751.db2.gz PEITVMXDDYSLRX-UHFFFAOYSA-N 0 0 324.424 3.479 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ocnc1C1CC1 ZINC000289467485 131389051 /nfs/dbraw/zinc/38/90/51/131389051.db2.gz YTQVGNBEPZXMGL-UHFFFAOYSA-N 0 0 313.401 3.280 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)NCC1CC(F)(F)C1 ZINC000292021115 131617114 /nfs/dbraw/zinc/61/71/14/131617114.db2.gz XDEJRUCUSPRPID-UHFFFAOYSA-N 0 0 324.371 3.116 20 10 DGCDRN Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(N)cc2)c1 ZINC000297296790 132007715 /nfs/dbraw/zinc/00/77/15/132007715.db2.gz VHUJZZMYXCHHTO-UHFFFAOYSA-N 0 0 312.413 3.396 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NOCc2ccccc2)cc1 ZINC000297717603 132031114 /nfs/dbraw/zinc/03/11/14/132031114.db2.gz YZFIPHDFBPJLCW-UHFFFAOYSA-N 0 0 313.401 3.026 20 10 DGCDRN CN(C)c1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000298435835 132062444 /nfs/dbraw/zinc/06/24/44/132062444.db2.gz ZHQJPYAPAZGOET-UHFFFAOYSA-N 0 0 323.440 3.283 20 10 DGCDRN CCCc1noc(CN(Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000298703194 132074045 /nfs/dbraw/zinc/07/40/45/132074045.db2.gz IEANOZXTAAAYIL-UHFFFAOYSA-N 0 0 316.449 3.499 20 10 DGCDRN CN(C)c1ccc(CN(Cc2ncc(Cl)n2C)C2CC2)cc1 ZINC000298747289 132076326 /nfs/dbraw/zinc/07/63/26/132076326.db2.gz ZUWXMVVIRPFCFY-UHFFFAOYSA-N 0 0 318.852 3.304 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)Nc2nccs2)C2CC2)cc1 ZINC000299025566 132086441 /nfs/dbraw/zinc/08/64/41/132086441.db2.gz AGJLWUSJBODIKJ-UHFFFAOYSA-N 0 0 316.430 3.406 20 10 DGCDRN CCc1nc(CN(Cc2ccc(N(C)C)cc2)C(C)C)no1 ZINC000299123745 132089850 /nfs/dbraw/zinc/08/98/50/132089850.db2.gz WEAQYTACZJNLLJ-UHFFFAOYSA-N 0 0 302.422 3.109 20 10 DGCDRN COc1ccccc1C1(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000299528096 132109219 /nfs/dbraw/zinc/10/92/19/132109219.db2.gz PDZJIEPYUVGBMB-UHFFFAOYSA-N 0 0 324.424 3.109 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1nc2c(s1)CCCC2 ZINC000299592944 132112915 /nfs/dbraw/zinc/11/29/15/132112915.db2.gz UFKREZNNHUXCSO-UHFFFAOYSA-N 0 0 303.387 3.049 20 10 DGCDRN Cc1ccc(C(=O)N2CC[C@@H](C)c3cccc(O)c32)c(O)c1O ZINC000186343177 292061889 /nfs/dbraw/zinc/06/18/89/292061889.db2.gz ICCIIZWMFPTNHD-SNVBAGLBSA-N 0 0 313.353 3.266 20 10 DGCDRN CC(C)CN1C(=O)c2ccccc2N[C@H]1c1cccc(O)c1O ZINC000024098821 400217377 /nfs/dbraw/zinc/21/73/77/400217377.db2.gz FUGNHORNSUQBTO-QGZVFWFLSA-N 0 0 312.369 3.320 20 10 DGCDRN Cc1[nH]c2ccccc2c1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000029061191 400296383 /nfs/dbraw/zinc/29/63/83/400296383.db2.gz LFCPMMJQIHEOBH-UHFFFAOYSA-N 0 0 321.424 3.401 20 10 DGCDRN CCCN(Cc1nnc(OCC)s1)Cc1ccccc1O ZINC000068973535 400302241 /nfs/dbraw/zinc/30/22/41/400302241.db2.gz CFNDSANRUOBGID-UHFFFAOYSA-N 0 0 307.419 3.055 20 10 DGCDRN CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1cccc(OC)c1O ZINC000073748197 400467365 /nfs/dbraw/zinc/46/73/65/400467365.db2.gz CQTMCFSEBVSMJE-OCCSQVGLSA-N 0 0 306.406 3.169 20 10 DGCDRN CCc1ccc(CNC(=O)N(C)Cc2ccccc2O)s1 ZINC000046945618 400589424 /nfs/dbraw/zinc/58/94/24/400589424.db2.gz RVMJGNKOXSHMCX-UHFFFAOYSA-N 0 0 304.415 3.358 20 10 DGCDRN COc1ccc(NC(=O)[C@H](C)Sc2nccs2)cc1OC ZINC000052914149 400754537 /nfs/dbraw/zinc/75/45/37/400754537.db2.gz JJRLHHDVDJEPNG-VIFPVBQESA-N 0 0 324.427 3.280 20 10 DGCDRN COc1ccc(OC)c(NC(=O)[C@H](C)Sc2nccs2)c1 ZINC000052913926 400754547 /nfs/dbraw/zinc/75/45/47/400754547.db2.gz FLOYWDKCIMDYBD-VIFPVBQESA-N 0 0 324.427 3.280 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccsc1 ZINC000052851235 400750532 /nfs/dbraw/zinc/75/05/32/400750532.db2.gz PTVOAARAQIVYKR-UHFFFAOYSA-N 0 0 302.443 3.405 20 10 DGCDRN CCS[C@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1O ZINC000078368510 400793495 /nfs/dbraw/zinc/79/34/95/400793495.db2.gz VXGCCAXHYQHVRB-ZFWWWQNUSA-N 0 0 308.447 3.256 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCC(F)(F)F ZINC000079774582 400895045 /nfs/dbraw/zinc/89/50/45/400895045.db2.gz PRIPOKYTNHCLGF-UHFFFAOYSA-N 0 0 302.340 3.444 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NCc2cccc(F)c2)cc1 ZINC000058757629 401070587 /nfs/dbraw/zinc/07/05/87/401070587.db2.gz PQIFRDPFQIHXIK-UHFFFAOYSA-N 0 0 315.392 3.233 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)CCSCc1ccccn1 ZINC000269156123 432153723 /nfs/dbraw/zinc/15/37/23/432153723.db2.gz QMSOOUZIGLIGLB-UHFFFAOYSA-N 0 0 316.426 3.069 20 10 DGCDRN Cn1c2ccccc2nc1NCc1ccc(N2CCOCC2)cc1 ZINC000269163001 432153779 /nfs/dbraw/zinc/15/37/79/432153779.db2.gz PACSHPAHLZVYLQ-UHFFFAOYSA-N 0 0 322.412 3.022 20 10 DGCDRN COc1ccccc1C(C)(C)C(=O)N(C)Cc1ccccc1O ZINC000269217058 432154735 /nfs/dbraw/zinc/15/47/35/432154735.db2.gz TXYZVKLTZVURJH-UHFFFAOYSA-N 0 0 313.397 3.337 20 10 DGCDRN COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2N(C)C)c1 ZINC000182449373 432190327 /nfs/dbraw/zinc/19/03/27/432190327.db2.gz MLWYNKCWYGTYMB-ZDUSSCGKSA-N 0 0 300.402 3.318 20 10 DGCDRN O=C(C[C@H]1C=CCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000071808908 226822159 /nfs/dbraw/zinc/82/21/59/226822159.db2.gz ZJQOTHYXSXNVJW-RDJZCZTQSA-N 0 0 315.413 3.256 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1COc2ccccc21 ZINC000172013127 228273958 /nfs/dbraw/zinc/27/39/58/228273958.db2.gz DTDKULDJMRARJO-SFHVURJKSA-N 0 0 322.408 3.079 20 10 DGCDRN Cc1cccc(NC(=O)NCc2ccc(N3CCCC3)cc2)n1 ZINC000184153264 228381853 /nfs/dbraw/zinc/38/18/53/228381853.db2.gz BQNQDRHHYUDFJW-UHFFFAOYSA-N 0 0 310.401 3.312 20 10 DGCDRN Cc1cc(C(=O)NC[C@@H](C)CCCO)c(C)n1-c1ccccc1 ZINC000295411357 228860205 /nfs/dbraw/zinc/86/02/05/228860205.db2.gz LCQKPQMASVTLSH-AWEZNQCLSA-N 0 0 314.429 3.233 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CSC[C@H]1C ZINC000346315765 229168527 /nfs/dbraw/zinc/16/85/27/229168527.db2.gz IPXGXFGNMOYXTD-BXUZGUMPSA-N 0 0 317.458 3.037 20 10 DGCDRN CCc1onc(C)c1C(=O)NCc1c(C)c2ccccc2n1C ZINC000348635039 229204991 /nfs/dbraw/zinc/20/49/91/229204991.db2.gz LMTVDEBHQOCHOH-UHFFFAOYSA-N 0 0 311.385 3.276 20 10 DGCDRN CCn1nc(C)c(C(=O)NCc2c(C)c3ccccc3n2C)c1C ZINC000348697216 229206298 /nfs/dbraw/zinc/20/62/98/229206298.db2.gz HJDUWNSNIQHGOT-UHFFFAOYSA-N 0 0 324.428 3.250 20 10 DGCDRN Cc1noc(C)c1NC(=O)NCc1c(C)c2ccccc2n1C ZINC000348704872 229206634 /nfs/dbraw/zinc/20/66/34/229206634.db2.gz JFJATQLHFZPISQ-UHFFFAOYSA-N 0 0 312.373 3.413 20 10 DGCDRN O=[N+]([O-])c1ccccc1/C=C\CN1C[C@@H](CO)c2ccccc21 ZINC000354044465 229289434 /nfs/dbraw/zinc/28/94/34/229289434.db2.gz ITZXIKWVMZGVOB-PKYBCLHXSA-N 0 0 310.353 3.204 20 10 DGCDRN CC[C@H]([NH2+]C1CCC(C(=O)NC)CC1)c1cccc(Cl)c1[O-] ZINC000287895068 288033526 /nfs/dbraw/zinc/03/35/26/288033526.db2.gz ZGCQWYSWUAYLIJ-QOZQQMKHSA-N 0 0 324.852 3.391 20 10 DGCDRN CC[C@H]([NH2+]Cc1nnc2n1CCCC2)c1cccc(Cl)c1[O-] ZINC000287599353 288051424 /nfs/dbraw/zinc/05/14/24/288051424.db2.gz INJZDIOLWBNJPK-ZDUSSCGKSA-N 0 0 320.824 3.214 20 10 DGCDRN C[C@@H]1CN(C(=O)/C=C/c2cncs2)c2ccc(F)cc2O1 ZINC000493200645 278628426 /nfs/dbraw/zinc/62/84/26/278628426.db2.gz OYCKTOHNNJEFQX-RXNUUUNCSA-N 0 0 304.346 3.110 20 10 DGCDRN Cn1ccnc1[C@H]1N(Cc2c(O)cccc2Cl)CC1(C)C ZINC000294700759 279379539 /nfs/dbraw/zinc/37/95/39/279379539.db2.gz CZQGWBPRVHVOLN-CQSZACIVSA-N 0 0 305.809 3.362 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cc1cccnc1 ZINC000109935000 431180027 /nfs/dbraw/zinc/18/00/27/431180027.db2.gz ZYLXPFRSRHWGOF-UHFFFAOYSA-N 0 0 323.440 3.273 20 10 DGCDRN CC(C)[C@H](NCc1ccc(N(C)C)cc1)c1nc(C2CC2)no1 ZINC000113357716 431343671 /nfs/dbraw/zinc/34/36/71/431343671.db2.gz RBEBRTQMOQHAJV-INIZCTEOSA-N 0 0 314.433 3.500 20 10 DGCDRN O=C(/C=C\c1cnccn1)N1CCSc2ccc(Cl)cc21 ZINC000491150874 279728240 /nfs/dbraw/zinc/72/82/40/279728240.db2.gz ITQYRZOEOLORCR-RQOWECAXSA-N 0 0 317.801 3.282 20 10 DGCDRN O=C(CC[C@H]1CCCCO1)NCc1c(O)ccc2c1CCCC2 ZINC000075159599 431457957 /nfs/dbraw/zinc/45/79/57/431457957.db2.gz PPSVPFRMYILJRH-OAHLLOKOSA-N 0 0 317.429 3.237 20 10 DGCDRN CS[C@H]1CCC[C@@H](NC(=O)N(C)Cc2ccccc2O)C1 ZINC000117508145 431565443 /nfs/dbraw/zinc/56/54/43/431565443.db2.gz KJWYQQBESOLTLN-KGLIPLIRSA-N 0 0 308.447 3.208 20 10 DGCDRN CN(C)c1ccc(CNc2cccc([S@](C)=O)c2)cc1F ZINC000121930324 431808209 /nfs/dbraw/zinc/80/82/09/431808209.db2.gz YPSIQDBGJRDVIB-OAQYLSRUSA-N 0 0 306.406 3.241 20 10 DGCDRN CC[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccc(F)cc1[O-] ZINC000285791346 280973678 /nfs/dbraw/zinc/97/36/78/280973678.db2.gz USHYUERWQUBCDO-GJZGRUSLSA-N 0 0 303.381 3.383 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCCn1cccn1 ZINC000101591001 431986665 /nfs/dbraw/zinc/98/66/65/431986665.db2.gz QQNQAJIUPYRQLU-UHFFFAOYSA-N 0 0 300.189 3.075 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCCc1cccs1 ZINC000183427222 432293621 /nfs/dbraw/zinc/29/36/21/432293621.db2.gz VHXAVSIDYHDIOR-LBPRGKRZSA-N 0 0 319.426 3.229 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(Cl)o1 ZINC000173185686 432262908 /nfs/dbraw/zinc/26/29/08/432262908.db2.gz APBUKCZYDXEMRG-UHFFFAOYSA-N 0 0 306.749 3.038 20 10 DGCDRN CC(C)NC(=O)C[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000271054992 432323775 /nfs/dbraw/zinc/32/37/75/432323775.db2.gz YQZDBSACGICOGG-UHFFFAOYSA-N 0 0 312.413 3.016 20 10 DGCDRN CC[C@@H](Oc1cccc(C)c1)C(=O)NCCc1ccc(N)cc1 ZINC000152562604 432341486 /nfs/dbraw/zinc/34/14/86/432341486.db2.gz JOZRJQLZVWSSAH-GOSISDBHSA-N 0 0 312.413 3.094 20 10 DGCDRN CC(=O)c1cc(F)cc(C[N@@H+](C)C[C@@H](C)c2nccs2)c1O ZINC000184001439 432344675 /nfs/dbraw/zinc/34/46/75/432344675.db2.gz QHHAIGHLRCBVDC-SNVBAGLBSA-N 0 0 322.405 3.426 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C(C)(C)CCOC)cc1 ZINC000184075835 432351600 /nfs/dbraw/zinc/35/16/00/432351600.db2.gz SUWDBOJWLXRGOL-UHFFFAOYSA-N 0 0 306.450 3.212 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCO[C@H](CC)C1 ZINC000183580548 432305091 /nfs/dbraw/zinc/30/50/91/432305091.db2.gz VTZORADGTJWKRB-GOEBONIOSA-N 0 0 305.418 3.336 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCO[C@H](C)C2)cc1 ZINC000271321006 432374092 /nfs/dbraw/zinc/37/40/92/432374092.db2.gz YRPOXUKYSRUIMB-NVXWUHKLSA-N 0 0 312.413 3.391 20 10 DGCDRN C[C@@H]1CC[C@@H](CCC(=O)N(C)Cc2ccc(N(C)C)cc2)O1 ZINC000175004107 432388167 /nfs/dbraw/zinc/38/81/67/432388167.db2.gz PQEIRHKVPPEUPU-PBHICJAKSA-N 0 0 304.434 3.059 20 10 DGCDRN CCN(CC)c1ccc(CN[C@@H](CCO)c2ccco2)cc1F ZINC000184503258 432397529 /nfs/dbraw/zinc/39/75/29/432397529.db2.gz IYERYSMBGSUVNG-INIZCTEOSA-N 0 0 320.408 3.478 20 10 DGCDRN Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H]2c2cccnc2)c(O)c1O ZINC000184783226 432431993 /nfs/dbraw/zinc/43/19/93/432431993.db2.gz FPRJCETZCQSQOH-XHDPSFHLSA-N 0 0 312.369 3.025 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2ccncc2)c1O ZINC000153841565 432448379 /nfs/dbraw/zinc/44/83/79/432448379.db2.gz JVURZQRSENETBP-KRWDZBQOSA-N 0 0 314.360 3.466 20 10 DGCDRN CC(=O)c1cc(F)cc(CN[C@H](C)c2ncc(C)s2)c1O ZINC000185011392 432455915 /nfs/dbraw/zinc/45/59/15/432455915.db2.gz KNHCSWWHYWUXIS-SECBINFHSA-N 0 0 308.378 3.350 20 10 DGCDRN COCCOc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000185012238 432456418 /nfs/dbraw/zinc/45/64/18/432456418.db2.gz MIDPYEBLZDDPCM-CYBMUJFWSA-N 0 0 319.376 3.407 20 10 DGCDRN Cc1cc(Br)cc(C[NH2+]Cc2ccn(C)c2)c1O ZINC000271844039 432426538 /nfs/dbraw/zinc/42/65/38/432426538.db2.gz ROMYSVVFVKSVMO-UHFFFAOYSA-N 0 0 309.207 3.091 20 10 DGCDRN C[C@@H]([NH2+]Cc1cnn(C)c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185113420 432467932 /nfs/dbraw/zinc/46/79/32/432467932.db2.gz GNFJHRQRSHPDTJ-MRVPVSSYSA-N 0 0 300.189 3.283 20 10 DGCDRN CCO[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000194461570 432552745 /nfs/dbraw/zinc/55/27/45/432552745.db2.gz QKALXKOHOYHOOB-QGZVFWFLSA-N 0 0 316.357 3.168 20 10 DGCDRN Cc1nccn1CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000263671438 432564267 /nfs/dbraw/zinc/56/42/67/432564267.db2.gz KAMIGVARTBNJOW-UHFFFAOYSA-N 0 0 314.216 3.384 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)N(C)Cc2ccccc2)cc1 ZINC000185727730 432528533 /nfs/dbraw/zinc/52/85/33/432528533.db2.gz VHULRNMHFWJTPN-UHFFFAOYSA-N 0 0 311.429 3.436 20 10 DGCDRN CC(=O)Nc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cc1 ZINC000155197672 432543260 /nfs/dbraw/zinc/54/32/60/432543260.db2.gz OGQJJWRZHTYOSN-UHFFFAOYSA-N 0 0 311.429 3.343 20 10 DGCDRN CNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000186224097 432571643 /nfs/dbraw/zinc/57/16/43/432571643.db2.gz YFLSSZCBLFLHAS-MRVPVSSYSA-N 0 0 319.232 3.122 20 10 DGCDRN COc1ccc(N(C)Cc2cc(F)cc3c2OCOC3)cc1F ZINC000177069338 432581826 /nfs/dbraw/zinc/58/18/26/432581826.db2.gz BCDSRLLQKIFOTC-UHFFFAOYSA-N 0 0 321.323 3.476 20 10 DGCDRN CN(C)c1ccc(/C=C2/SC(=S)N(C3CC3)C2=O)cc1F ZINC000263938878 432594900 /nfs/dbraw/zinc/59/49/00/432594900.db2.gz QLVXOJKRLGYRRK-MDWZMJQESA-N 0 0 322.430 3.255 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@H](O)c1cccc(F)c1 ZINC000273463334 432602036 /nfs/dbraw/zinc/60/20/36/432602036.db2.gz INHXTKDGCVANLE-RVPKQNPDSA-N 0 0 307.340 3.443 20 10 DGCDRN C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1[O-] ZINC000273467102 432602224 /nfs/dbraw/zinc/60/22/24/432602224.db2.gz DYVZOYUDAIGQAS-NSHDSACASA-N 0 0 304.321 3.333 20 10 DGCDRN COc1ccc(OCCSc2ncc([N+](=O)[O-])s2)cc1 ZINC000195511877 432625049 /nfs/dbraw/zinc/62/50/49/432625049.db2.gz CRVJEQPVJHDRBM-UHFFFAOYSA-N 0 0 312.372 3.231 20 10 DGCDRN Cc1csc([C@@H](C)CNC(=O)N(C)Cc2ccccc2O)n1 ZINC000186816032 432632385 /nfs/dbraw/zinc/63/23/85/432632385.db2.gz WNEQOBYIUBTTBB-NSHDSACASA-N 0 0 319.430 3.102 20 10 DGCDRN CN(C)c1ccc(CN2CCSC[C@H]2c2nccs2)cc1 ZINC000186648847 432618521 /nfs/dbraw/zinc/61/85/21/432618521.db2.gz QXQFBPOMFUWWBI-HNNXBMFYSA-N 0 0 319.499 3.499 20 10 DGCDRN Cc1coc(-c2cccc(NC(=O)c3cccc(O)c3O)c2)n1 ZINC000187186127 432650869 /nfs/dbraw/zinc/65/08/69/432650869.db2.gz PMESOMXBDCJOQH-UHFFFAOYSA-N 0 0 310.309 3.314 20 10 DGCDRN Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2cccc(O)c2O)C1 ZINC000185697312 292664106 /nfs/dbraw/zinc/66/41/06/292664106.db2.gz NEWDXYJUZQZZTK-ZIAGYGMSSA-N 0 0 311.381 3.424 20 10 DGCDRN C[C@@H](N[C@@H](C)c1ncnn1C)c1ccc(N2CCCCC2)cc1 ZINC000276539317 432817774 /nfs/dbraw/zinc/81/77/74/432817774.db2.gz DIOSSHGKDBYAFR-CABCVRRESA-N 0 0 313.449 3.217 20 10 DGCDRN CC(C)=CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000276660734 432822980 /nfs/dbraw/zinc/82/29/80/432822980.db2.gz WZNIFTSDNWPHMD-UHFFFAOYSA-N 0 0 301.434 3.393 20 10 DGCDRN C[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1ccc(F)c(F)c1[O-] ZINC000276901126 432827057 /nfs/dbraw/zinc/82/70/57/432827057.db2.gz JBMBRIBERQDIAX-XPTSAGLGSA-N 0 0 311.303 3.194 20 10 DGCDRN CN(C)c1ccc(C[NH2+][C@@H](CC(=O)[O-])c2ccsc2)cc1 ZINC000276978922 432827621 /nfs/dbraw/zinc/82/76/21/432827621.db2.gz HZSLHGYWKZOYQG-HNNXBMFYSA-N 0 0 304.415 3.120 20 10 DGCDRN C[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000277003691 432827939 /nfs/dbraw/zinc/82/79/39/432827939.db2.gz ZRLQQMIEFBPYIM-HTQZYQBOSA-N 0 0 313.266 3.288 20 10 DGCDRN CC[C@H](C)[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000277181168 432829990 /nfs/dbraw/zinc/82/99/90/432829990.db2.gz FHQTZKWCRSDONH-YOEHRIQHSA-N 0 0 304.434 3.266 20 10 DGCDRN C[C@H](C(=O)[O-])[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000277245756 432831430 /nfs/dbraw/zinc/83/14/30/432831430.db2.gz JNYMAIGDQKYOEM-KBXCAEBGSA-N 0 0 312.413 3.304 20 10 DGCDRN CC[C@@H]1CC[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)O1 ZINC000268328167 432864095 /nfs/dbraw/zinc/86/40/95/432864095.db2.gz MNEJWQSOZTVIGS-MSOLQXFVSA-N 0 0 316.445 3.201 20 10 DGCDRN COc1ccc(O)c(CN2C[C@H](C)OC[C@@H]2c2ccccc2)c1 ZINC000245865093 432866421 /nfs/dbraw/zinc/86/64/21/432866421.db2.gz PVBMZKRVASENFX-KBXCAEBGSA-N 0 0 313.397 3.363 20 10 DGCDRN CC(C)CCNC(=O)NCc1cccc(Br)c1O ZINC000277756895 432874392 /nfs/dbraw/zinc/87/43/92/432874392.db2.gz ODIKYRRBFVSPAL-UHFFFAOYSA-N 0 0 315.211 3.000 20 10 DGCDRN CCc1ccccc1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278297686 432890507 /nfs/dbraw/zinc/89/05/07/432890507.db2.gz CNHAWICSKSNZHH-UHFFFAOYSA-N 0 0 316.357 3.161 20 10 DGCDRN CC(C)[C@H](C)C(=O)NCc1cccc(Br)c1O ZINC000277427175 432849382 /nfs/dbraw/zinc/84/93/82/432849382.db2.gz DJIMNFLMKCRVPH-VIFPVBQESA-N 0 0 300.196 3.063 20 10 DGCDRN CCc1nsc(NCc2cccc(Br)c2O)n1 ZINC000277471025 432853988 /nfs/dbraw/zinc/85/39/88/432853988.db2.gz PXZZLIDWBCFSLL-UHFFFAOYSA-N 0 0 314.208 3.181 20 10 DGCDRN O=C(NCc1cccc(Br)c1O)[C@@H]1CC=CCC1 ZINC000277495195 432855337 /nfs/dbraw/zinc/85/53/37/432855337.db2.gz JUSFNMVUSVIBGA-SNVBAGLBSA-N 0 0 310.191 3.127 20 10 DGCDRN O=C(NCc1cccc(Br)c1O)[C@H]1CC=CCC1 ZINC000277495191 432855659 /nfs/dbraw/zinc/85/56/59/432855659.db2.gz JUSFNMVUSVIBGA-JTQLQIEISA-N 0 0 310.191 3.127 20 10 DGCDRN CC(C)(C)c1nnc(CNCc2ccc3c(c2)CCO3)s1 ZINC000268229569 432856355 /nfs/dbraw/zinc/85/63/55/432856355.db2.gz UBGQZUXNUDQOLO-UHFFFAOYSA-N 0 0 303.431 3.060 20 10 DGCDRN CC[C@H]1CC[C@H](C(=O)N(CC)Cc2ccc(N(C)C)cc2)O1 ZINC000268233839 432857838 /nfs/dbraw/zinc/85/78/38/432857838.db2.gz YQPRLTSTIUNAPQ-DLBZAZTESA-N 0 0 304.434 3.059 20 10 DGCDRN CCOc1ccc(N(CC)CCCS(=O)(=O)C(C)C)cc1 ZINC000268261867 432859585 /nfs/dbraw/zinc/85/95/85/432859585.db2.gz XPDWQHBOWCPASW-UHFFFAOYSA-N 0 0 313.463 3.125 20 10 DGCDRN Cc1ccc([C@@H](C)NCc2ncc(C(F)(F)F)cn2)c(O)c1 ZINC000296602415 432923739 /nfs/dbraw/zinc/92/37/39/432923739.db2.gz VSTDMPHZEQURNO-SNVBAGLBSA-N 0 0 311.307 3.360 20 10 DGCDRN COc1ccc(COCC[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000296822933 432928988 /nfs/dbraw/zinc/92/89/88/432928988.db2.gz MFRSRMUIIBZOKF-KRWDZBQOSA-N 0 0 313.397 3.195 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1[O-] ZINC000296402564 432904432 /nfs/dbraw/zinc/90/44/32/432904432.db2.gz UUSDDFDLEDMGQK-MAZHCROVSA-N 0 0 323.820 3.151 20 10 DGCDRN Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cccc(O)c3O)C2)cc1 ZINC000278916134 432916955 /nfs/dbraw/zinc/91/69/55/432916955.db2.gz JYXHWADYQHVJAZ-UKRRQHHQSA-N 0 0 311.381 3.424 20 10 DGCDRN CC(=O)C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 ZINC000289624129 432969154 /nfs/dbraw/zinc/96/91/54/432969154.db2.gz LVBYPHIOEIFZPO-UHFFFAOYSA-N 0 0 318.398 3.284 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)c1O ZINC000289721570 432973320 /nfs/dbraw/zinc/97/33/20/432973320.db2.gz JRAFFRCNDZSJDC-NVXWUHKLSA-N 0 0 321.392 3.123 20 10 DGCDRN COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@H](O)c2ccccc2)c1O ZINC000289998115 432982361 /nfs/dbraw/zinc/98/23/61/432982361.db2.gz CTPCGJNNOVKRAO-ZBEGNZNMSA-N 0 0 321.804 3.266 20 10 DGCDRN CC(C)n1ncnc1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000279909747 432998151 /nfs/dbraw/zinc/99/81/51/432998151.db2.gz FGJKWSJEUNLTHE-UHFFFAOYSA-N 0 0 313.449 3.090 20 10 DGCDRN Cc1cc(C(=O)N2CCCc3n[nH]cc32)c(C)n1-c1ccccc1 ZINC000280090047 433001263 /nfs/dbraw/zinc/00/12/63/433001263.db2.gz LLULXNHCAUSNIZ-UHFFFAOYSA-N 0 0 320.396 3.410 20 10 DGCDRN COCCOCC[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000290258426 433022239 /nfs/dbraw/zinc/02/22/39/433022239.db2.gz WKMICQCMVMMRDH-UHFFFAOYSA-N 0 0 315.413 3.154 20 10 DGCDRN COCc1noc(CN(CCC(C)C)c2ccc(OC)cc2)n1 ZINC000280536461 433078563 /nfs/dbraw/zinc/07/85/63/433078563.db2.gz PHYNKEGOULNJAM-UHFFFAOYSA-N 0 0 319.405 3.277 20 10 DGCDRN COc1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)ccc1O ZINC000280573924 433092382 /nfs/dbraw/zinc/09/23/82/433092382.db2.gz LYSXOXMAXLEUDV-UHFFFAOYSA-N 0 0 321.398 3.325 20 10 DGCDRN CCCOc1ccc(CNc2cn(C)nc2C2CC2)c(O)c1 ZINC000291206835 433230805 /nfs/dbraw/zinc/23/08/05/433230805.db2.gz IBXVOLPPEZPLKP-UHFFFAOYSA-N 0 0 301.390 3.404 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@@H]1CCCc2ccc(F)cc21 ZINC000280965211 433242714 /nfs/dbraw/zinc/24/27/14/433242714.db2.gz SOWQLFMNSYMSAQ-MRXNPFEDSA-N 0 0 314.360 3.408 20 10 DGCDRN CC[C@](C)(OC)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000281279846 433280903 /nfs/dbraw/zinc/28/09/03/433280903.db2.gz XKATUXFVJHPEAJ-IBGZPJMESA-N 0 0 318.461 3.450 20 10 DGCDRN CC[C@H]1C[N@H+](Cc2cc(Br)ccc2O)CCCO1 ZINC000281360838 433289964 /nfs/dbraw/zinc/28/99/64/433289964.db2.gz UWKFZYQBIQNYHC-ZDUSSCGKSA-N 0 0 314.223 3.156 20 10 DGCDRN CC[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)CCCO1 ZINC000281360833 433290810 /nfs/dbraw/zinc/29/08/10/433290810.db2.gz UWKFZYQBIQNYHC-CYBMUJFWSA-N 0 0 314.223 3.156 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCc1occc1C ZINC000291774794 433348203 /nfs/dbraw/zinc/34/82/03/433348203.db2.gz NCPAWPBPCDYHEE-UHFFFAOYSA-N 0 0 302.374 3.415 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCC1CC(F)(F)C1 ZINC000291999929 433424329 /nfs/dbraw/zinc/42/43/29/433424329.db2.gz UUBUAVVMXFJVAW-UHFFFAOYSA-N 0 0 312.360 3.359 20 10 DGCDRN CCSCCCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000282018983 433467639 /nfs/dbraw/zinc/46/76/39/433467639.db2.gz JHMSXMGVVHCWDP-UHFFFAOYSA-N 0 0 317.458 3.362 20 10 DGCDRN CN1c2ccccc2C(C)(C)C1=CC=C1SC(=S)NC1=O ZINC000102117631 290320473 /nfs/dbraw/zinc/32/04/73/290320473.db2.gz GRXBURXHFVDQEI-UQXQTEIVSA-N 0 0 316.451 3.330 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@H]2CCCC(F)(F)C2)c1 ZINC000282076338 433485676 /nfs/dbraw/zinc/48/56/76/433485676.db2.gz QXHZESUOEMOUSN-JTQLQIEISA-N 0 0 300.305 3.216 20 10 DGCDRN COc1ccc(O)c(CNc2ccc(C(C)=O)cc2[N+](=O)[O-])c1 ZINC000301302480 433497535 /nfs/dbraw/zinc/49/75/35/433497535.db2.gz VYKGOQQGNQMFKP-UHFFFAOYSA-N 0 0 316.313 3.124 20 10 DGCDRN Cc1nc(C(C)C)oc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000292209270 433508270 /nfs/dbraw/zinc/50/82/70/433508270.db2.gz PNXHBXWPTNZOAA-UHFFFAOYSA-N 0 0 319.380 3.242 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCCCOCC ZINC000282955706 433644837 /nfs/dbraw/zinc/64/48/37/433644837.db2.gz DFZRDOSQQDWQSZ-UHFFFAOYSA-N 0 0 308.422 3.131 20 10 DGCDRN CCN(Cc1ncnn1C(C)(C)C)c1ccc(OC)c(OC)c1 ZINC000283029027 433647212 /nfs/dbraw/zinc/64/72/12/433647212.db2.gz HLFROQPEYJQRGR-UHFFFAOYSA-N 0 0 318.421 3.077 20 10 DGCDRN Cc1cncc(CCC(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000293182169 433647336 /nfs/dbraw/zinc/64/73/36/433647336.db2.gz AJZFMXGJADNYKT-UHFFFAOYSA-N 0 0 324.424 3.223 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc2nc[nH]c2n1 ZINC000282526173 433614163 /nfs/dbraw/zinc/61/41/63/433614163.db2.gz QAZLHTKXDFQOAO-UHFFFAOYSA-N 0 0 324.384 3.106 20 10 DGCDRN COc1ccc(N2CCC(Nc3ncc(C)c(C)n3)CC2)cc1 ZINC000301859415 433763159 /nfs/dbraw/zinc/76/31/59/433763159.db2.gz FADGUYOVTLPPRK-UHFFFAOYSA-N 0 0 312.417 3.183 20 10 DGCDRN Cc1cc(C(=O)NCC2CC(F)(F)C2)c(C)n1-c1ccccn1 ZINC000293639796 433811961 /nfs/dbraw/zinc/81/19/61/433811961.db2.gz KPJXAIMWOIBLMS-UHFFFAOYSA-N 0 0 319.355 3.264 20 10 DGCDRN CN(C)[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccco1 ZINC000293795222 433871038 /nfs/dbraw/zinc/87/10/38/433871038.db2.gz BPVBEKGXXNSLQK-ZDUSSCGKSA-N 0 0 312.772 3.170 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000285703032 434043147 /nfs/dbraw/zinc/04/31/47/434043147.db2.gz PCXPXMAXSLTTKP-DOTOQJQBSA-N 0 0 307.340 3.445 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C2(C(F)(F)F)CCC2)cc1F ZINC000294363395 434100750 /nfs/dbraw/zinc/10/07/50/434100750.db2.gz AMEDHRCXJBPVAF-UHFFFAOYSA-N 0 0 318.314 3.241 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000378142738 434094338 /nfs/dbraw/zinc/09/43/38/434094338.db2.gz URIIXQFWHHFEEW-INIZCTEOSA-N 0 0 318.373 3.074 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CCCC(=O)C(C)(C)C)cc1F ZINC000294648391 434128811 /nfs/dbraw/zinc/12/88/11/434128811.db2.gz HHJFIJFFMHWKJP-UHFFFAOYSA-N 0 0 322.424 3.293 20 10 DGCDRN Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(-n3cncn3)c2)c1 ZINC000363859275 434168417 /nfs/dbraw/zinc/16/84/17/434168417.db2.gz FJTZEVFPAXLDKD-AWEZNQCLSA-N 0 0 308.385 3.132 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CC1CCCCC1 ZINC000437008824 434201093 /nfs/dbraw/zinc/20/10/93/434201093.db2.gz WMCAXJZNPFBFTI-UHFFFAOYSA-N 0 0 302.418 3.448 20 10 DGCDRN COC(=O)c1cnc(SC[C@H](OC)c2ccccc2)s1 ZINC000295374108 434331733 /nfs/dbraw/zinc/33/17/33/434331733.db2.gz SONAGSXLSFCINR-NSHDSACASA-N 0 0 309.412 3.410 20 10 DGCDRN CCC[C@@H]1CCC[C@@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000295656336 434425980 /nfs/dbraw/zinc/42/59/80/434425980.db2.gz DNPTUIBVKVHPHL-CFVMTHIKSA-N 0 0 305.418 3.361 20 10 DGCDRN COc1ccc(O)c(C[NH2+][C@@H](c2cccs2)C(C)(C)CO)c1 ZINC000296037403 434485547 /nfs/dbraw/zinc/48/55/47/434485547.db2.gz OSXSOJITDWRPTI-INIZCTEOSA-N 0 0 321.442 3.312 20 10 DGCDRN Cc1cc(C(=O)N2CCn3nccc32)c(C)n1-c1ccc(F)cc1 ZINC000367512651 434550363 /nfs/dbraw/zinc/55/03/63/434550363.db2.gz FKBCONQYOSOVFN-UHFFFAOYSA-N 0 0 324.359 3.090 20 10 DGCDRN COc1c([O-])c(C[NH+]2CCC3(CCC3)CC2)ccc1[N+](=O)[O-] ZINC000368038385 434562765 /nfs/dbraw/zinc/56/27/65/434562765.db2.gz OXCUOLCZZMVCCN-UHFFFAOYSA-N 0 0 306.362 3.075 20 10 DGCDRN COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2OCCc3ccccc32)c1 ZINC000371546736 434729208 /nfs/dbraw/zinc/72/92/08/434729208.db2.gz NZKZLFSYQPNCOK-BFUOFWGJSA-N 0 0 313.397 3.365 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1OCCc2ccccc21)c1cc(F)ccc1O ZINC000371869750 434763939 /nfs/dbraw/zinc/76/39/39/434763939.db2.gz KEVJZJSOSWXRIO-KPZWWZAWSA-N 0 0 301.361 3.496 20 10 DGCDRN Cn1ccnc1[C@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000372880755 434860193 /nfs/dbraw/zinc/86/01/93/434860193.db2.gz LECIEJSRWNUTRU-HNNXBMFYSA-N 0 0 307.397 3.268 20 10 DGCDRN COc1cc(OC)cc(N(C)C(=O)/C=C/c2ccc(C)nc2)c1 ZINC000492035285 434903710 /nfs/dbraw/zinc/90/37/10/434903710.db2.gz WFXCONIFRNOHJJ-BQYQJAHWSA-N 0 0 312.369 3.083 20 10 DGCDRN O=C(/C=C/c1cnccn1)N1CCc2c1cccc2C(F)(F)F ZINC000492599341 435019518 /nfs/dbraw/zinc/01/95/18/435019518.db2.gz XKNFPUCCBSTVSN-SNAWJCMRSA-N 0 0 319.286 3.098 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)N1C[C@@H](C)C(=O)Nc2ccccc21 ZINC000492527869 435004098 /nfs/dbraw/zinc/00/40/98/435004098.db2.gz GJRKTYYQZFNJJK-HSBSLETESA-N 0 0 321.380 3.025 20 10 DGCDRN O=C(C=Cc1c[nH]cn1)N1CCc2c1cccc2C(F)(F)F ZINC000492812734 435053852 /nfs/dbraw/zinc/05/38/52/435053852.db2.gz NPKZUNLCRYVKJU-SNAWJCMRSA-N 0 0 307.275 3.031 20 10 DGCDRN CCN(C(=O)/C=C/c1cncc(F)c1)c1ccccc1OC ZINC000491508557 435764295 /nfs/dbraw/zinc/76/42/95/435764295.db2.gz XUQOUVKTAOWHTA-CMDGGOBGSA-N 0 0 300.333 3.296 20 10 DGCDRN O=C(/C=C\c1cnccn1)N1CCCc2c(Cl)ccc(F)c21 ZINC000491576369 435775212 /nfs/dbraw/zinc/77/52/12/435775212.db2.gz NKZATOYXLAFVFS-UTCJRWHESA-N 0 0 317.751 3.262 20 10 DGCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@H]2CC23CC3)CCCC1 ZINC000652466359 435987600 /nfs/dbraw/zinc/98/76/00/435987600.db2.gz OHCBUIDRWCKVNS-SFHVURJKSA-N 0 0 324.424 3.197 20 10 DGCDRN Cn1cncc1CCOc1ccc2c(c1)c1c(n2C)CCCC1 ZINC000664105232 436558588 /nfs/dbraw/zinc/55/85/88/436558588.db2.gz TZLLRFBHPOLARV-UHFFFAOYSA-N 0 0 309.413 3.412 20 10 DGCDRN CN(C(=O)/C=C\c1cnn(-c2ccccc2)c1)c1ncccc1F ZINC000255889558 331814287 /nfs/dbraw/zinc/81/42/87/331814287.db2.gz YUEYNSVNBPXIPE-KTKRTIGZSA-N 0 0 322.343 3.083 20 10 DGCDRN C[C@](O)(C[NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccsc1 ZINC000293591025 335109839 /nfs/dbraw/zinc/10/98/39/335109839.db2.gz KKYPYGRQDWFISM-AWEZNQCLSA-N 0 0 315.797 3.244 20 10 DGCDRN C[C@@](O)(C[NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccccc1 ZINC000293763620 335113208 /nfs/dbraw/zinc/11/32/08/335113208.db2.gz ZFUYKOBTCAASBU-MRXNPFEDSA-N 0 0 309.768 3.182 20 10 DGCDRN Cc1ccccc1[C@@H](O)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293670238 335114741 /nfs/dbraw/zinc/11/47/41/335114741.db2.gz QNLRDQCKHNFWSN-INIZCTEOSA-N 0 0 309.768 3.316 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000278403387 334096113 /nfs/dbraw/zinc/09/61/13/334096113.db2.gz OPBBWOZGMKOOCK-GXFFZTMASA-N 0 0 323.742 3.181 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1cc(N2CCCC2)ncn1 ZINC000302876248 336372808 /nfs/dbraw/zinc/37/28/08/336372808.db2.gz FLNXRERMDYRXKM-UHFFFAOYSA-N 0 0 311.433 3.063 20 10 DGCDRN O=C(C=Cc1c[nH]cn1)N1CCCc2cc(OC(F)F)ccc21 ZINC000492860583 339910936 /nfs/dbraw/zinc/91/09/36/339910936.db2.gz IHHLZLQWXIGNBY-UTCJRWHESA-N 0 0 319.311 3.004 20 10 DGCDRN CS[C@@H](C)CCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000358400851 533897123 /nfs/dbraw/zinc/89/71/23/533897123.db2.gz DHMOZXIWCJVZSG-LBPRGKRZSA-N 0 0 308.447 3.010 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@@H]2C[C@@H]2c2sccc2C)c1 ZINC000133599563 534201836 /nfs/dbraw/zinc/20/18/36/534201836.db2.gz VGAPUNAKEUDDSS-UONOGXRCSA-N 0 0 317.410 3.191 20 10 DGCDRN CC(C)=CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000190567774 519430256 /nfs/dbraw/zinc/43/02/56/519430256.db2.gz SELKXXHDZYPKKH-MRXNPFEDSA-N 0 0 318.417 3.049 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(F)nc1 ZINC000265079663 519655332 /nfs/dbraw/zinc/65/53/32/519655332.db2.gz HXYJUVWTIBYAMR-UHFFFAOYSA-N 0 0 315.392 3.338 20 10 DGCDRN CC(C)[C@@H](C)N(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000265968119 519790975 /nfs/dbraw/zinc/79/09/75/519790975.db2.gz SXBCLRTUYRYVHE-OAHLLOKOSA-N 0 0 301.434 3.249 20 10 DGCDRN CC(C)c1noc([C@H](C)N2CCOc3cc(N(C)C)ccc32)n1 ZINC000130448532 519909448 /nfs/dbraw/zinc/90/94/48/519909448.db2.gz WSDDREDCXKNGEP-LBPRGKRZSA-N 0 0 316.405 3.219 20 10 DGCDRN CCCOc1ccc(CNc2nnc([C@@H]3CCCO3)o2)c(O)c1 ZINC000181798282 520377277 /nfs/dbraw/zinc/37/72/77/520377277.db2.gz XFRGATQIAIJHKB-AWEZNQCLSA-N 0 0 319.361 3.028 20 10 DGCDRN CCCCN(CC)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000127925251 520466509 /nfs/dbraw/zinc/46/65/09/520466509.db2.gz BSHMCIRYCNYQOV-UHFFFAOYSA-N 0 0 301.434 3.394 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2oc(C)nc2C)cc1F ZINC000172799518 520905620 /nfs/dbraw/zinc/90/56/20/520905620.db2.gz GVBTUSOHYUMTEY-UHFFFAOYSA-N 0 0 319.380 3.207 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)c3cncs3)cc2)CC1 ZINC000264487246 521041357 /nfs/dbraw/zinc/04/13/57/521041357.db2.gz RQJJQCAZYVUARB-UHFFFAOYSA-N 0 0 315.442 3.309 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)[C@H]3CCCS3)cc2)CC1 ZINC000266446742 521042295 /nfs/dbraw/zinc/04/22/95/521042295.db2.gz NCEPUEFTSXOUIK-QGZVFWFLSA-N 0 0 318.486 3.435 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1cscn1 ZINC000263695754 521318844 /nfs/dbraw/zinc/31/88/44/521318844.db2.gz QXKKRAPGSAWJNK-UHFFFAOYSA-N 0 0 317.458 3.190 20 10 DGCDRN CCOc1cccc(CNC2(c3noc(C)n3)CCCC2)c1O ZINC000236890536 521359154 /nfs/dbraw/zinc/35/91/54/521359154.db2.gz MTIADVRYJBOSCO-UHFFFAOYSA-N 0 0 317.389 3.041 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCC1(CCOC)CC1 ZINC000161176703 521687964 /nfs/dbraw/zinc/68/79/64/521687964.db2.gz CYINHYWANBGNHY-UHFFFAOYSA-N 0 0 320.433 3.131 20 10 DGCDRN CCS[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180847504 521723953 /nfs/dbraw/zinc/72/39/53/521723953.db2.gz RMWRRTTUYUTRDN-XCUOTZKBSA-N 0 0 321.442 3.292 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCCc3c(O)cccc32)cc1 ZINC000190021182 522200081 /nfs/dbraw/zinc/20/00/81/522200081.db2.gz UVMAHRPWXQAXBG-GOSISDBHSA-N 0 0 324.424 3.195 20 10 DGCDRN CCc1nc(C)c([C@@H](C)N(C)C(=O)Cc2ccc(N)cc2)s1 ZINC000237030936 522216107 /nfs/dbraw/zinc/21/61/07/522216107.db2.gz YVGZGMFHMYVWGX-GFCCVEGCSA-N 0 0 317.458 3.358 20 10 DGCDRN COCC(C)(C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000132581431 522798634 /nfs/dbraw/zinc/79/86/34/522798634.db2.gz FOMNDACQIIZQTA-UHFFFAOYSA-N 0 0 318.461 3.212 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000155585778 523380841 /nfs/dbraw/zinc/38/08/41/523380841.db2.gz WRRHTINZKVBPJV-SCTDSRPQSA-N 0 0 322.408 3.120 20 10 DGCDRN CC[C@@H]1[C@@H](C)CCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000188091015 523610857 /nfs/dbraw/zinc/61/08/57/523610857.db2.gz LKERYTKIDPGMTH-MAUKXSAKSA-N 0 0 313.445 3.393 20 10 DGCDRN COc1ccc(CN(C)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000180757590 524010731 /nfs/dbraw/zinc/01/07/31/524010731.db2.gz CZLHUUAXDBFNBA-UHFFFAOYSA-N 0 0 317.385 3.357 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2CCCSC2)c(C)n1-c1ccccn1 ZINC000267196981 524130194 /nfs/dbraw/zinc/13/01/94/524130194.db2.gz CKQKYLUJSOGOTP-CQSZACIVSA-N 0 0 315.442 3.115 20 10 DGCDRN Cc1cc(C(=O)Nn2cnnc2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000181436031 524189237 /nfs/dbraw/zinc/18/92/37/524189237.db2.gz KKFUGXNPBBIIJU-UHFFFAOYSA-N 0 0 323.400 3.193 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(-c2cn[nH]c2)c1 ZINC000378543213 534774999 /nfs/dbraw/zinc/77/49/99/534774999.db2.gz PSHPLOYRRQYQBJ-FNORWQNLSA-N 0 0 321.336 3.140 20 10 DGCDRN C[C@@H](CCc1cccc(F)c1)C(=O)NCCc1ccc(N)cc1 ZINC000237327043 524528014 /nfs/dbraw/zinc/52/80/14/524528014.db2.gz CTLHILSNNGYBBR-AWEZNQCLSA-N 0 0 314.404 3.336 20 10 DGCDRN COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000191212943 524741707 /nfs/dbraw/zinc/74/17/07/524741707.db2.gz PYANCCHYUOZAHV-YGRLFVJLSA-N 0 0 323.339 3.063 20 10 DGCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C(C)(C)C1 ZINC000266979168 524818913 /nfs/dbraw/zinc/81/89/13/524818913.db2.gz RWEAPKKBXFKFPO-HNNXBMFYSA-N 0 0 313.445 3.393 20 10 DGCDRN COc1ccc([C@@H](C)CCNC(=O)Cc2ccc(N)cc2)cc1 ZINC000237176811 525123659 /nfs/dbraw/zinc/12/36/59/525123659.db2.gz BPXHJAHECKUFLW-AWEZNQCLSA-N 0 0 312.413 3.130 20 10 DGCDRN Cc1c(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])cnn1C ZINC000156574158 525725838 /nfs/dbraw/zinc/72/58/38/525725838.db2.gz DDBXYQFNLXMKCN-UHFFFAOYSA-N 0 0 300.189 3.031 20 10 DGCDRN COc1cccc(CNC(=O)N[C@@H]2CCC[C@@H](C)CC2)c1O ZINC000190967369 525989234 /nfs/dbraw/zinc/98/92/34/525989234.db2.gz UZILXRLATBJVHT-TZMCWYRMSA-N 0 0 306.406 3.169 20 10 DGCDRN COc1cccc(CNC(=O)N[C@H]2CCC[C@@H](C)CC2)c1O ZINC000190967336 525990944 /nfs/dbraw/zinc/99/09/44/525990944.db2.gz UZILXRLATBJVHT-OCCSQVGLSA-N 0 0 306.406 3.169 20 10 DGCDRN COc1cccc(CNC(=O)[C@H](c2ccccc2)C2CC2)c1O ZINC000158643756 525999750 /nfs/dbraw/zinc/99/97/50/525999750.db2.gz WSODJQWHMYRFFE-QGZVFWFLSA-N 0 0 311.381 3.211 20 10 DGCDRN Cc1cc(C(=O)N(C)CC[C@H](C)O)c(C)n1-c1ccc(F)cc1 ZINC000267233480 526221573 /nfs/dbraw/zinc/22/15/73/526221573.db2.gz RVJRVXFGQAOAJB-ZDUSSCGKSA-N 0 0 318.392 3.076 20 10 DGCDRN C[C@H]1CCCCN1C(=O)COc1ccc(N2CCCC2)cc1 ZINC000178192977 526242377 /nfs/dbraw/zinc/24/23/77/526242377.db2.gz NVPLGGKRDFLSNJ-HNNXBMFYSA-N 0 0 302.418 3.067 20 10 DGCDRN C1=CCN(c2ccc(CNc3ccc4nccnc4n3)cc2)C1 ZINC000301325290 526418233 /nfs/dbraw/zinc/41/82/33/526418233.db2.gz AKSZTYLAOONSGI-UHFFFAOYSA-N 0 0 303.369 3.013 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCCC2(CC2)C1 ZINC000185748606 526679345 /nfs/dbraw/zinc/67/93/45/526679345.db2.gz YXQWTHPUSVVOPI-UHFFFAOYSA-N 0 0 311.429 3.148 20 10 DGCDRN Nc1ccc(CC(=O)NCC2(Cc3ccccc3)CCC2)cc1 ZINC000163041801 527476737 /nfs/dbraw/zinc/47/67/37/527476737.db2.gz SYHHRFZEFQIIOH-UHFFFAOYSA-N 0 0 308.425 3.341 20 10 DGCDRN Nc1ccc(CCNC(=O)Cc2ccc3c(c2)CCCC3)cc1 ZINC000237937955 527479469 /nfs/dbraw/zinc/47/94/69/527479469.db2.gz QIPZTTURVMXYTO-UHFFFAOYSA-N 0 0 308.425 3.049 20 10 DGCDRN FC(F)(F)c1ccnc(NCc2ccc(N3CC=CC3)cc2)n1 ZINC000265836426 527688081 /nfs/dbraw/zinc/68/80/81/527688081.db2.gz MLDCSWHRNXFVMX-UHFFFAOYSA-N 0 0 320.318 3.484 20 10 DGCDRN CCOc1ccc(NCc2ccc(N(C)C)cc2)cc1CO ZINC000237023729 528554483 /nfs/dbraw/zinc/55/44/83/528554483.db2.gz PMOJVCPEKGEYHB-UHFFFAOYSA-N 0 0 300.402 3.256 20 10 DGCDRN CCCCS[C@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173196376 528742432 /nfs/dbraw/zinc/74/24/32/528742432.db2.gz UHBJXGPYMBUNNK-CYBMUJFWSA-N 0 0 322.474 3.400 20 10 DGCDRN CCCc1nc(CN(CC)c2ccc(OC)c(OC)c2)no1 ZINC000299283024 535520127 /nfs/dbraw/zinc/52/01/27/535520127.db2.gz PGOULOMLRNAOEU-UHFFFAOYSA-N 0 0 305.378 3.066 20 10 DGCDRN CCN(C(=O)/C=C\c1cnccn1)c1ccc(Cl)c(F)c1 ZINC000493867571 535657210 /nfs/dbraw/zinc/65/72/10/535657210.db2.gz GPRCKGJTZRVXNV-UTCJRWHESA-N 0 0 305.740 3.335 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]C[C@@H](C(=O)[O-])C(C)C)cc1F ZINC000277312731 535686940 /nfs/dbraw/zinc/68/69/40/535686940.db2.gz NMZSOGLNZIYLLV-CQSZACIVSA-N 0 0 310.413 3.118 20 10 DGCDRN CCOc1ccc(O)c(CNc2cccc(N3CCC3=O)c2)c1 ZINC000280130681 535751462 /nfs/dbraw/zinc/75/14/62/535751462.db2.gz QCTWWXSDTQXOIQ-UHFFFAOYSA-N 0 0 312.369 3.140 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1cccc(Cl)c1[O-] ZINC000287847337 535808021 /nfs/dbraw/zinc/80/80/21/535808021.db2.gz WOVZGFHVUPUFOE-SMDDNHRTSA-N 0 0 310.825 3.097 20 10 DGCDRN CC[C@@H]1C[C@H](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000272912257 535892728 /nfs/dbraw/zinc/89/27/28/535892728.db2.gz LDBWPWMYPRJGEL-SJLPKXTDSA-N 0 0 318.461 3.306 20 10 DGCDRN CC[C@H]([NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccc(F)cc1[O-] ZINC000285524859 535946100 /nfs/dbraw/zinc/94/61/00/535946100.db2.gz BHIWLCYARCEWNN-NOLJZWGESA-N 0 0 322.424 3.219 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)c2nccs2)c1 ZINC000273395229 536794005 /nfs/dbraw/zinc/79/40/05/536794005.db2.gz FHNIXYAUVATNLF-MNOVXSKESA-N 0 0 320.414 3.090 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCCC2(CC2)C1 ZINC000185589412 546188564 /nfs/dbraw/zinc/18/85/64/546188564.db2.gz XDNYTXGXUBFVAE-UHFFFAOYSA-N 0 0 313.445 3.372 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C\c2cncc(C)c2)c(OC)c1 ZINC000255232205 546334832 /nfs/dbraw/zinc/33/48/32/546334832.db2.gz QRLKRMILEQONRZ-YVMONPNESA-N 0 0 312.369 3.083 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC4(CC4)C3)ccc21 ZINC000452278558 546853449 /nfs/dbraw/zinc/85/34/49/546853449.db2.gz UMYIXKMUWKKASD-UHFFFAOYSA-N 0 0 312.413 3.141 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)c2cccnc2)c(C)n1-c1ccccn1 ZINC000731017232 574541616 /nfs/dbraw/zinc/54/16/16/574541616.db2.gz HGAKLPISPBJFFV-AWEZNQCLSA-N 0 0 320.396 3.375 20 10 DGCDRN O=C(NCCc1ccc(C(F)(F)F)cc1)C1=CC(=O)CS1 ZINC000731863744 574560199 /nfs/dbraw/zinc/56/01/99/574560199.db2.gz CKCRSARUWYZDMY-UHFFFAOYSA-N 0 0 315.316 3.445 20 10 DGCDRN O=C(NCCOc1cccc2ccccc21)C1=CC(=O)CS1 ZINC000731871087 574560718 /nfs/dbraw/zinc/56/07/18/574560718.db2.gz WEYSHOHEFFFZBV-UHFFFAOYSA-N 0 0 313.378 3.416 20 10 DGCDRN CCc1ccc(NC(=O)[C@H](C)OC(=O)C2=CC(=O)CS2)cc1 ZINC000731910961 574561962 /nfs/dbraw/zinc/56/19/62/574561962.db2.gz XPOUBOYAWJDTNW-JTQLQIEISA-N 0 0 319.382 3.200 20 10 DGCDRN CCOc1ccc(N(CC)CC(=O)N(C)c2nccs2)cc1 ZINC000732199931 574567839 /nfs/dbraw/zinc/56/78/39/574567839.db2.gz PVLQSSIAKDDTLK-UHFFFAOYSA-N 0 0 319.430 3.031 20 10 DGCDRN COc1ccc2c(c1)CCCN2CC(=O)NCc1cccc(C)c1 ZINC000732196531 574568635 /nfs/dbraw/zinc/56/86/35/574568635.db2.gz LUYDHFAMSVRNDQ-UHFFFAOYSA-N 0 0 324.424 3.073 20 10 DGCDRN O=C(NCc1cc(-c2ccccc2)no1)C1=CC(=O)CS1 ZINC000732270709 574569504 /nfs/dbraw/zinc/56/95/04/574569504.db2.gz FVDNOGUQFBIFHM-UHFFFAOYSA-N 0 0 300.339 3.039 20 10 DGCDRN C[C@@H](CNC(=O)C1=CC(=O)CS1)COCc1ccccc1 ZINC000732276298 574570188 /nfs/dbraw/zinc/57/01/88/574570188.db2.gz PYSDNKSPQFEPGV-LBPRGKRZSA-N 0 0 305.399 3.036 20 10 DGCDRN O=C(N[C@@H]1CCCOc2ccc(F)cc21)C1=CC(=O)CS1 ZINC000732276994 574570218 /nfs/dbraw/zinc/57/02/18/574570218.db2.gz ZZDUGBKIDVHQCD-GFCCVEGCSA-N 0 0 307.346 3.237 20 10 DGCDRN O=C(N[C@H](c1nccs1)c1ccccc1)C1=CC(=O)CS1 ZINC000732287173 574570941 /nfs/dbraw/zinc/57/09/41/574570941.db2.gz OCQXAEFECNRWIG-ZDUSSCGKSA-N 0 0 316.407 3.430 20 10 DGCDRN COc1ccccc1-c1cc(NC(=O)C2=CC(=O)CS2)n[nH]1 ZINC000732279250 574570421 /nfs/dbraw/zinc/57/04/21/574570421.db2.gz MWOIAXUUXZOKIG-UHFFFAOYSA-N 0 0 315.354 3.105 20 10 DGCDRN CC(C)COc1ccc(CCNC(=O)C2=CC(=O)CS2)cc1 ZINC000732289908 574570821 /nfs/dbraw/zinc/57/08/21/574570821.db2.gz ZIFCKTMASBAHLA-UHFFFAOYSA-N 0 0 319.426 3.461 20 10 DGCDRN O=C(OCc1ccc(OC(F)F)cc1)C1=CC(=O)CS1 ZINC000732353520 574572098 /nfs/dbraw/zinc/57/20/98/574572098.db2.gz SEUYHCULXVKDNA-UHFFFAOYSA-N 0 0 300.282 3.412 20 10 DGCDRN C[C@H](OC(=O)C1=CC(=O)CS1)C(=O)c1ccc(F)cc1F ZINC000732353776 574572142 /nfs/dbraw/zinc/57/21/42/574572142.db2.gz VECMPQRXACWCRO-ZETCQYMHSA-N 0 0 312.293 3.160 20 10 DGCDRN C[C@@H](OC(=O)C1=CC(=O)CS1)C(=O)NCCC1=CCCCC1 ZINC000732354109 574572376 /nfs/dbraw/zinc/57/23/76/574572376.db2.gz ZXNJBPYJPVFYCB-LLVKDONJSA-N 0 0 323.414 3.006 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccnc(C3CC3)n2)cc1 ZINC000732634935 574577534 /nfs/dbraw/zinc/57/75/34/574577534.db2.gz RHZMMDJUSVPVKU-UHFFFAOYSA-N 0 0 324.428 3.130 20 10 DGCDRN C[C@@H](CC(=O)NCc1ccc(N(C)C)cc1)C(=O)c1ccccc1 ZINC000732750829 574581367 /nfs/dbraw/zinc/58/13/67/574581367.db2.gz FFIAMBJFHZBZAN-HNNXBMFYSA-N 0 0 324.424 3.278 20 10 DGCDRN Cc1cc(CNC(=O)c2cc(C)ccc2-n2c(C)ccc2C)[nH]n1 ZINC000733285789 574611978 /nfs/dbraw/zinc/61/19/78/574611978.db2.gz JLWIKXCRJIVRJX-UHFFFAOYSA-N 0 0 322.412 3.364 20 10 DGCDRN Cc1ccc(C(=O)OCc2ncc(C(C)(C)C)o2)c(O)c1O ZINC000733476297 574626393 /nfs/dbraw/zinc/62/63/93/574626393.db2.gz OHNALJDOWXUIDS-UHFFFAOYSA-N 0 0 305.330 3.049 20 10 DGCDRN CCOc1ccc(N(CC)Cc2cccc(C(=O)NC)c2)cc1 ZINC000733794270 574637768 /nfs/dbraw/zinc/63/77/68/574637768.db2.gz ILDVBYQFQCDDQA-UHFFFAOYSA-N 0 0 312.413 3.471 20 10 DGCDRN COc1ccc(/C=C\C(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC000734403142 574659780 /nfs/dbraw/zinc/65/97/80/574659780.db2.gz WZEBPBINABKTIS-GHXNOFRVSA-N 0 0 324.424 3.399 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CO[C@H]1CCC[C@H](C)C1 ZINC000734406712 574659931 /nfs/dbraw/zinc/65/99/31/574659931.db2.gz ZJPWDYHCOJSDBO-KSSFIOAISA-N 0 0 318.461 3.273 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=S)NCc1cccs1 ZINC000734385148 574660480 /nfs/dbraw/zinc/66/04/80/574660480.db2.gz MKAFUZUUMUWXNO-UHFFFAOYSA-N 0 0 319.499 3.287 20 10 DGCDRN C[C@@H](NC(=O)[C@@H](C)C(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000734390267 574660491 /nfs/dbraw/zinc/66/04/91/574660491.db2.gz QEOXETLSZYURBQ-HUUCEWRRSA-N 0 0 318.461 3.383 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)c1ccccn1 ZINC000734522241 574666150 /nfs/dbraw/zinc/66/61/50/574666150.db2.gz MGUHRXPOOCWGFH-CQSZACIVSA-N 0 0 312.417 3.016 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@H]1C[C@H]1c1c(F)cccc1F ZINC000734942816 574683128 /nfs/dbraw/zinc/68/31/28/574683128.db2.gz QFOPJQTYXSFJMS-RISCZKNCSA-N 0 0 318.323 3.026 20 10 DGCDRN CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCCC[C@@H]2CC(=O)[O-])c1 ZINC000736294685 574740605 /nfs/dbraw/zinc/74/06/05/574740605.db2.gz NWAIHJOWBNMLMQ-CQSZACIVSA-N 0 0 321.417 3.225 20 10 DGCDRN CCO[C@H](C)c1noc(CN2CCCc3cc(OC)ccc32)n1 ZINC000736620128 574761335 /nfs/dbraw/zinc/76/13/35/574761335.db2.gz BDQGAKWCPZHRSY-GFCCVEGCSA-N 0 0 317.389 3.129 20 10 DGCDRN C[C@H](C(=O)OC(C)(C)C)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000738876455 574885253 /nfs/dbraw/zinc/88/52/53/574885253.db2.gz FVBSPONZVFRTBK-CQSZACIVSA-N 0 0 318.461 3.447 20 10 DGCDRN C[C@@H](C(=O)OC(C)(C)C)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000738876454 574885361 /nfs/dbraw/zinc/88/53/61/574885361.db2.gz FVBSPONZVFRTBK-AWEZNQCLSA-N 0 0 318.461 3.447 20 10 DGCDRN Oc1ccc2ccccc2c1CN1CCO[C@@H](C(F)(F)F)C1 ZINC000739876186 574914411 /nfs/dbraw/zinc/91/44/11/574914411.db2.gz YJOFDGFFFIQHAI-OAHLLOKOSA-N 0 0 311.303 3.309 20 10 DGCDRN Cc1cc(C(=O)CN(C)Cc2ccon2)c(C)n1-c1ccccc1 ZINC000739932137 574916089 /nfs/dbraw/zinc/91/60/89/574916089.db2.gz XJFPXKFRBLDUIR-UHFFFAOYSA-N 0 0 323.396 3.397 20 10 DGCDRN C[C@@H]1C[C@@H](C)N(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000741082524 574950764 /nfs/dbraw/zinc/95/07/64/574950764.db2.gz KXTPFPRMEOEGJV-ZIAGYGMSSA-N 0 0 301.434 3.009 20 10 DGCDRN C[C@@H]1C[C@H](C)N(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000741082522 574950839 /nfs/dbraw/zinc/95/08/39/574950839.db2.gz KXTPFPRMEOEGJV-KGLIPLIRSA-N 0 0 301.434 3.009 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccncc2F)cc1 ZINC000741176294 574952956 /nfs/dbraw/zinc/95/29/56/574952956.db2.gz OUMLNFUGSWQVPP-UHFFFAOYSA-N 0 0 315.392 3.339 20 10 DGCDRN Cc1nc(NCc2ccc(N3CCOCC3)cc2)sc1C ZINC000741751180 574968736 /nfs/dbraw/zinc/96/87/36/574968736.db2.gz UXMFTMBOSQILLS-UHFFFAOYSA-N 0 0 303.431 3.209 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C\c1ccsc1 ZINC000742952291 575025771 /nfs/dbraw/zinc/02/57/71/575025771.db2.gz KFSQKGFSSQLTCG-UTCJRWHESA-N 0 0 314.410 3.253 20 10 DGCDRN CCc1cnc(NC(=O)NCc2ccc(N(C)C)cc2C)s1 ZINC000743220539 575039473 /nfs/dbraw/zinc/03/94/73/575039473.db2.gz XNWRTDSFXALUFI-UHFFFAOYSA-N 0 0 318.446 3.402 20 10 DGCDRN Cc1cc(O)ccc1NS(=O)(=O)C1=Cc2ccccc2CC1 ZINC000743260143 575040544 /nfs/dbraw/zinc/04/05/44/575040544.db2.gz XRRPJXVMXCUSAG-UHFFFAOYSA-N 0 0 315.394 3.430 20 10 DGCDRN CSc1ccc(S(=O)(=O)Nc2ccc(O)cc2C)cc1 ZINC000743259589 575040708 /nfs/dbraw/zinc/04/07/08/575040708.db2.gz FRDSOYFZNHIYKB-UHFFFAOYSA-N 0 0 309.412 3.223 20 10 DGCDRN CN(C(=O)C1=CC(=O)CS1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000743415852 575049938 /nfs/dbraw/zinc/04/99/38/575049938.db2.gz BTYZSLRHNVPKAK-CQSZACIVSA-N 0 0 316.426 3.195 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@]2(C)c2ccccc2)cc1 ZINC000743642509 575059916 /nfs/dbraw/zinc/05/99/16/575059916.db2.gz SOIUZORFOIMANP-UYAOXDASSA-N 0 0 323.440 3.282 20 10 DGCDRN COc1cccc(F)c1[C@H](C)NC(=O)NCc1ccccc1O ZINC000743658870 575060186 /nfs/dbraw/zinc/06/01/86/575060186.db2.gz BHKWPNMRQWJUBA-NSHDSACASA-N 0 0 318.348 3.100 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCCC(F)(F)F)c1 ZINC000743708774 575061789 /nfs/dbraw/zinc/06/17/89/575061789.db2.gz JJHQKKQXPABSFR-SECBINFHSA-N 0 0 320.311 3.104 20 10 DGCDRN Cc1ccc(O)c(C(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000743718448 575062243 /nfs/dbraw/zinc/06/22/43/575062243.db2.gz PFSKSAXPDVIANG-UHFFFAOYSA-N 0 0 311.381 3.215 20 10 DGCDRN CCCCCCOCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743719816 575062387 /nfs/dbraw/zinc/06/23/87/575062387.db2.gz VRAQPVLUHVOCLV-UHFFFAOYSA-N 0 0 319.445 3.484 20 10 DGCDRN CC[C@@](C)(O)CNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000743760536 575062949 /nfs/dbraw/zinc/06/29/49/575062949.db2.gz QFDJOFWJHQDELA-LJQANCHMSA-N 0 0 314.429 3.293 20 10 DGCDRN C[C@@H]1CCC[C@H](C)N(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000743810680 575064144 /nfs/dbraw/zinc/06/41/44/575064144.db2.gz HIVWBNALYVBWHJ-CABCVRRESA-N 0 0 303.450 3.473 20 10 DGCDRN CC[C@H](COC)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000737710989 575192058 /nfs/dbraw/zinc/19/20/58/575192058.db2.gz DRURWHMMFKNIFT-MRXNPFEDSA-N 0 0 300.402 3.249 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C(C)=O)s2)c1 ZINC000728979008 575199106 /nfs/dbraw/zinc/19/91/06/575199106.db2.gz AZZUOHTUULOVQX-VIFPVBQESA-N 0 0 319.382 3.156 20 10 DGCDRN CCc1ccc(O)c(C(=O)N[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000729277640 575231634 /nfs/dbraw/zinc/23/16/34/575231634.db2.gz GKLZEJFEAWOUQF-NSHDSACASA-N 0 0 315.369 3.160 20 10 DGCDRN CCN(CCOC)C(=O)c1sccc1-n1c(C)ccc1C ZINC000729313521 575233669 /nfs/dbraw/zinc/23/36/69/575233669.db2.gz KWPGNQPCFDJOOD-UHFFFAOYSA-N 0 0 306.431 3.264 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2c(C)oc(C)c2C)c1 ZINC000729536494 575254793 /nfs/dbraw/zinc/25/47/93/575254793.db2.gz GCJGILUDFLRFGP-JTQLQIEISA-N 0 0 303.358 3.410 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cnc(C3CC3)s2)c1 ZINC000729535133 575254885 /nfs/dbraw/zinc/25/48/85/575254885.db2.gz LAYFEUWAUAPKMW-VIFPVBQESA-N 0 0 318.398 3.226 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(F)ccc2OC)c1 ZINC000729537132 575254918 /nfs/dbraw/zinc/25/49/18/575254918.db2.gz ZBCHGOYQOHQOLU-JTQLQIEISA-N 0 0 319.332 3.040 20 10 DGCDRN CCN(CC(=O)N1[C@H](C)CCC[C@H]1C)c1ccc(OC)cc1 ZINC000744391651 575339767 /nfs/dbraw/zinc/33/97/67/575339767.db2.gz DINQSBWTBPRPHK-HUUCEWRRSA-N 0 0 304.434 3.311 20 10 DGCDRN C[C@@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)C1CC1 ZINC000745771180 575416412 /nfs/dbraw/zinc/41/64/12/575416412.db2.gz HWVZNCRKAGHZID-LBPRGKRZSA-N 0 0 302.418 3.116 20 10 DGCDRN CC[C@@H]1C[C@H](C)CN1C(=O)NCc1ccc(N(C)C)cc1C ZINC000745828751 575419326 /nfs/dbraw/zinc/41/93/26/575419326.db2.gz VCCRAYAUWOVVQE-XJKSGUPXSA-N 0 0 303.450 3.391 20 10 DGCDRN CC[C@@H]1C[C@H](C)CN1c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000745975218 575425914 /nfs/dbraw/zinc/42/59/14/575425914.db2.gz FUNPXOASAJNQBQ-PIEIZJNZSA-N 0 0 318.373 3.406 20 10 DGCDRN Oc1cc2c(cc1C[N@H+](CCc1ccccc1)C1CC1)OCO2 ZINC000746023394 575427576 /nfs/dbraw/zinc/42/75/76/575427576.db2.gz TVMXYQQYZOMNBR-UHFFFAOYSA-N 0 0 311.381 3.328 20 10 DGCDRN CCN(CC(=O)Nc1cccc(OC)c1)c1ccc(OC)cc1 ZINC000746109095 575433213 /nfs/dbraw/zinc/43/32/13/575433213.db2.gz JPYIIFLRWPXSIT-UHFFFAOYSA-N 0 0 314.385 3.169 20 10 DGCDRN CCOc1ccc(N(CC)Cc2ccc(C(=O)OC)o2)cc1 ZINC000746159687 575437100 /nfs/dbraw/zinc/43/71/00/575437100.db2.gz YRZTXIQDXZUQCJ-UHFFFAOYSA-N 0 0 303.358 3.491 20 10 DGCDRN CC(=O)C(C)(C)CCC(=O)NCc1ccc(N(C)C)cc1C ZINC000746183782 575438513 /nfs/dbraw/zinc/43/85/13/575438513.db2.gz XWQVYVLNPPHCOZ-UHFFFAOYSA-N 0 0 304.434 3.073 20 10 DGCDRN C[C@H]1CCCC[C@@H]1NC(=S)NCc1ccc(N(C)C)c(F)c1 ZINC000746685494 575470147 /nfs/dbraw/zinc/47/01/47/575470147.db2.gz QRBAJJVJCKIYEY-WFASDCNBSA-N 0 0 323.481 3.435 20 10 DGCDRN C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000746718473 575471898 /nfs/dbraw/zinc/47/18/98/575471898.db2.gz JBVXVWWINDTGSJ-PBHICJAKSA-N 0 0 315.461 3.447 20 10 DGCDRN CO[C@H]1CCC[C@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000746756596 575473395 /nfs/dbraw/zinc/47/33/95/575473395.db2.gz UVWZBMSDXILOKQ-RYUDHWBXSA-N 0 0 314.223 3.202 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc(Cl)cc2O)cc1F ZINC000746798491 575475877 /nfs/dbraw/zinc/47/58/77/575475877.db2.gz IPXBBYRUKUTQJP-UHFFFAOYSA-N 0 0 322.767 3.181 20 10 DGCDRN CN(C)c1ccc(CNC(=O)/C=C/c2cccs2)cc1F ZINC000746798978 575476041 /nfs/dbraw/zinc/47/60/41/575476041.db2.gz UPEKQYXBQZIZIA-SOFGYWHQSA-N 0 0 304.390 3.283 20 10 DGCDRN C[C@@H](Oc1ccccc1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000746809351 575476052 /nfs/dbraw/zinc/47/60/52/575476052.db2.gz WFCMNWSXXNWSFR-OAHLLOKOSA-N 0 0 324.424 3.153 20 10 DGCDRN CN1CCCc2cc(CNC(=O)CCOc3ccccc3)ccc21 ZINC000746808842 575476072 /nfs/dbraw/zinc/47/60/72/575476072.db2.gz MQEFKFRWJKUFBZ-UHFFFAOYSA-N 0 0 324.424 3.154 20 10 DGCDRN CCC1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000746982591 575488092 /nfs/dbraw/zinc/48/80/92/575488092.db2.gz AWQAPDIYQJRSLQ-UHFFFAOYSA-N 0 0 315.461 3.401 20 10 DGCDRN O=C(Nc1cccc(N2CCOCC2)c1)c1cccc2[nH]ccc21 ZINC000747367053 575514549 /nfs/dbraw/zinc/51/45/49/575514549.db2.gz KZOHXJBBVVCJEU-UHFFFAOYSA-N 0 0 321.380 3.257 20 10 DGCDRN CCc1ncsc1NC(=O)NCc1ccc(N(C)C)cc1C ZINC000747375059 575515155 /nfs/dbraw/zinc/51/51/55/575515155.db2.gz KLTVPNKSVNGJJQ-UHFFFAOYSA-N 0 0 318.446 3.402 20 10 DGCDRN O=C(Nc1ccc2c(cnn2C(F)F)c1)C1=CC(=O)CS1 ZINC000747617558 575527479 /nfs/dbraw/zinc/52/74/79/575527479.db2.gz QNZAJCRBBRZOKV-UHFFFAOYSA-N 0 0 309.297 3.451 20 10 DGCDRN Fc1cccc(CNC(=S)Nc2ccc3c(c2)CCC3)n1 ZINC000747719744 575535573 /nfs/dbraw/zinc/53/55/73/575535573.db2.gz BJBMZXKSZJCTCY-UHFFFAOYSA-N 0 0 301.390 3.196 20 10 DGCDRN CCOc1cccc(NC(=S)NCc2cccc(F)n2)c1 ZINC000747723134 575535650 /nfs/dbraw/zinc/53/56/50/575535650.db2.gz XPFFLJALTQYXGD-UHFFFAOYSA-N 0 0 305.378 3.106 20 10 DGCDRN Cc1cc(C(=O)NCc2c[nH]cn2)c(C)n1-c1ccccc1C ZINC000747973699 575554423 /nfs/dbraw/zinc/55/44/23/575554423.db2.gz DHSZCZMNTBRYDB-UHFFFAOYSA-N 0 0 308.385 3.056 20 10 DGCDRN COc1cccc(CNC(=S)Nc2ccccc2Cl)n1 ZINC000748044892 575558216 /nfs/dbraw/zinc/55/82/16/575558216.db2.gz OTWCPYMWOSYFNN-UHFFFAOYSA-N 0 0 307.806 3.230 20 10 DGCDRN COc1cccc(CNC(=S)Nc2ccc(C)c(C)c2)n1 ZINC000748044521 575558309 /nfs/dbraw/zinc/55/83/09/575558309.db2.gz DPWWASNYQSSPFU-UHFFFAOYSA-N 0 0 301.415 3.194 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[N@H+](CCO)CC(C)(C)C)c1[O-] ZINC000748049588 575559135 /nfs/dbraw/zinc/55/91/35/575559135.db2.gz JVSAATHWVQDOMD-UHFFFAOYSA-N 0 0 313.825 3.089 20 10 DGCDRN CCO[C@H]1C[C@H](NC(=O)C2=CC(=O)CS2)C12CCCCC2 ZINC000748339393 575581328 /nfs/dbraw/zinc/58/13/28/575581328.db2.gz NKVDHRUSEKSYFL-KBPBESRZSA-N 0 0 309.431 3.311 20 10 DGCDRN O=C(CCCOc1ccc(F)cc1F)NCc1ccccc1O ZINC000748346548 575581415 /nfs/dbraw/zinc/58/14/15/575581415.db2.gz LSPFMYSOMFNTQL-UHFFFAOYSA-N 0 0 321.323 3.146 20 10 DGCDRN O=C(CCCOc1ccc(F)cc1)NCc1ccccc1O ZINC000748345314 575581603 /nfs/dbraw/zinc/58/16/03/575581603.db2.gz FGTTYIBATYZQPE-UHFFFAOYSA-N 0 0 303.333 3.007 20 10 DGCDRN COc1ccc2nc(C)c(C(=O)NCc3ccccc3O)cc2c1 ZINC000748349444 575582595 /nfs/dbraw/zinc/58/25/95/575582595.db2.gz GHOCIZUCMBZFHP-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN COc1cc2ccccc2cc1C(=O)NCc1ccccc1O ZINC000748354279 575583115 /nfs/dbraw/zinc/58/31/15/575583115.db2.gz YGIAGICVTITWKD-UHFFFAOYSA-N 0 0 307.349 3.484 20 10 DGCDRN O=C(NCCCn1ccc2ccccc21)NCc1ccccc1O ZINC000748460932 575588657 /nfs/dbraw/zinc/58/86/57/575588657.db2.gz SNQXJRAYIPLJSD-UHFFFAOYSA-N 0 0 323.396 3.236 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2CCC(C)(C)C[C@@H]2C)c1 ZINC000748972335 575619032 /nfs/dbraw/zinc/61/90/32/575619032.db2.gz PUZVEYROGVOSFL-SWLSCSKDSA-N 0 0 320.433 3.415 20 10 DGCDRN O=C(/C=C/c1cnccn1)N1CC2(CCCC2)c2c1cccc2F ZINC000749151594 575630768 /nfs/dbraw/zinc/63/07/68/575630768.db2.gz SSTMBMIJDOKJRJ-VOTSOKGWSA-N 0 0 323.371 3.488 20 10 DGCDRN COCCNC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000749323022 575644819 /nfs/dbraw/zinc/64/48/19/575644819.db2.gz KBXBDMHKCHCVRY-UHFFFAOYSA-N 0 0 300.402 3.087 20 10 DGCDRN Cc1cc(C(=O)Nc2n[nH]c(C)n2)c(C)n1-c1cc(C)cc(C)c1 ZINC000749378639 575649631 /nfs/dbraw/zinc/64/96/31/575649631.db2.gz FUKRZANMIXMFKT-UHFFFAOYSA-N 0 0 323.400 3.390 20 10 DGCDRN O=C(COc1ccc(N2CCCC2)cc1)NC1CCCCC1 ZINC000749791469 575678938 /nfs/dbraw/zinc/67/89/38/575678938.db2.gz ODJITXZELAQUET-UHFFFAOYSA-N 0 0 302.418 3.115 20 10 DGCDRN CC(C)(C)c1cc(O)c(O)c(CN2CCC[C@@H]2c2ncon2)c1 ZINC000750020190 575697489 /nfs/dbraw/zinc/69/74/89/575697489.db2.gz XJHHKSCYRVLREW-CYBMUJFWSA-N 0 0 317.389 3.115 20 10 DGCDRN CC[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@H](C)O1 ZINC000750045475 575700122 /nfs/dbraw/zinc/70/01/22/575700122.db2.gz RKIUDVUBDGTSPN-HZMBPMFUSA-N 0 0 311.809 3.248 20 10 DGCDRN Cc1cc(C(=O)Nc2cncc(C)c2)c(C)n1-c1ccccn1 ZINC000750848671 575755239 /nfs/dbraw/zinc/75/52/39/575755239.db2.gz ZIEFYIBWJYVJIF-UHFFFAOYSA-N 0 0 306.369 3.445 20 10 DGCDRN CC[C@@H](C)c1ccc(S(=O)(=O)NCc2ccccc2O)cc1 ZINC000751150500 575771886 /nfs/dbraw/zinc/77/18/86/575771886.db2.gz GPNTWYQQKVVUEC-CYBMUJFWSA-N 0 0 319.426 3.384 20 10 DGCDRN CCc1cccc(CC(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000751784051 575804530 /nfs/dbraw/zinc/80/45/30/575804530.db2.gz IAMBMDMMDURHRJ-UHFFFAOYSA-N 0 0 314.404 3.313 20 10 DGCDRN Nc1ccc(Cc2nc(C(=O)OC/C=C\Cl)cs2)cc1 ZINC000751930004 575812679 /nfs/dbraw/zinc/81/26/79/575812679.db2.gz FQLCULXWQMCHAK-BHQIHCQQSA-N 0 0 308.790 3.225 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CC[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000751968558 575815461 /nfs/dbraw/zinc/81/54/61/575815461.db2.gz OQGWNEVBOATVIW-RAUBUVQISA-N 0 0 304.346 3.016 20 10 DGCDRN CN1CCCc2cc(CNC(=O)NCC3(C)CCC3)ccc21 ZINC000752025588 575818743 /nfs/dbraw/zinc/81/87/43/575818743.db2.gz YHDUURKQUQBBAG-UHFFFAOYSA-N 0 0 301.434 3.058 20 10 DGCDRN CCOc1ccc(CNCc2csc([C@H](C)OC)n2)c(O)c1 ZINC000752265511 575830011 /nfs/dbraw/zinc/83/00/11/575830011.db2.gz JCOQEGRGGLEUHV-NSHDSACASA-N 0 0 322.430 3.245 20 10 DGCDRN O=C(NCCCc1ccc(Cl)cc1)NCc1ccccc1O ZINC000726250937 576014159 /nfs/dbraw/zinc/01/41/59/576014159.db2.gz MCELJAHHIZKTJQ-UHFFFAOYSA-N 0 0 318.804 3.478 20 10 DGCDRN O=C(NCCc1ccccc1Cl)NCc1ccccc1O ZINC000726247619 576014649 /nfs/dbraw/zinc/01/46/49/576014649.db2.gz OLKGYIRBKRPLTH-UHFFFAOYSA-N 0 0 304.777 3.088 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)c3ccsc3)CC2)cc1 ZINC000726560554 576030932 /nfs/dbraw/zinc/03/09/32/576030932.db2.gz CUOAGNQUWKWXDN-UHFFFAOYSA-N 0 0 316.426 3.156 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)[C@@H]3CC=CCC3)CC2)cc1 ZINC000726560831 576030936 /nfs/dbraw/zinc/03/09/36/576030936.db2.gz REOLOEACACGCGG-OAHLLOKOSA-N 0 0 314.429 3.137 20 10 DGCDRN O=C1NC(=S)S/C1=C\c1nc(-c2ccccc2)cs1 ZINC000726876647 576046705 /nfs/dbraw/zinc/04/67/05/576046705.db2.gz ZJGKWBKWUJSTSM-POHAHGRESA-N 0 0 304.421 3.299 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000739926605 576053119 /nfs/dbraw/zinc/05/31/19/576053119.db2.gz IJSMXBSOGKRPSI-WMLDXEAASA-N 0 0 304.434 3.216 20 10 DGCDRN Cc1ccc(C(=O)OCCOc2ccccc2Cl)c(O)c1O ZINC000727004272 576093624 /nfs/dbraw/zinc/09/36/24/576093624.db2.gz QTUGZYJRKWTTNJ-UHFFFAOYSA-N 0 0 322.744 3.295 20 10 DGCDRN CCS[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)C(C)C ZINC000727309764 576119280 /nfs/dbraw/zinc/11/92/80/576119280.db2.gz MRMUUSGZKJDYMG-KRWDZBQOSA-N 0 0 320.502 3.463 20 10 DGCDRN CC[C@@H]1CCCN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000727941325 576155389 /nfs/dbraw/zinc/15/53/89/576155389.db2.gz QMSMMUVTSSCQAN-MRXNPFEDSA-N 0 0 301.434 3.153 20 10 DGCDRN CCN1C(=O)/C(=C\c2cc(F)c(F)c(F)c2)SC1=S ZINC000727972915 576156880 /nfs/dbraw/zinc/15/68/80/576156880.db2.gz LFMPNVFYVITLGB-WEVVVXLNSA-N 0 0 303.330 3.325 20 10 DGCDRN Cc1ccc(SCCNC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000751532936 576206518 /nfs/dbraw/zinc/20/65/18/576206518.db2.gz HNECJNRALJCFMN-UHFFFAOYSA-N 0 0 317.410 3.237 20 10 DGCDRN Cc1cc(C(=O)NCc2ccc3c(c2)CCCN3C)ccc1F ZINC000728820387 576210033 /nfs/dbraw/zinc/21/00/33/576210033.db2.gz MXBAGKRDPFVPAZ-UHFFFAOYSA-N 0 0 312.388 3.447 20 10 DGCDRN CC(C)[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000852649306 620637109 /nfs/dbraw/zinc/63/71/09/620637109.db2.gz GZQMAQIHKBGKDP-KRWDZBQOSA-N 0 0 303.450 3.329 20 10 DGCDRN CCN(CC)c1ccc(CNc2cncc(-n3cccn3)n2)cc1 ZINC000917085274 620655693 /nfs/dbraw/zinc/65/56/93/620655693.db2.gz GYTLYNSGBXJYOM-UHFFFAOYSA-N 0 0 322.416 3.121 20 10 DGCDRN COc1ccc(CN2CC[C@H](Sc3nccs3)C2=O)cc1 ZINC000853017000 620660727 /nfs/dbraw/zinc/66/07/27/620660727.db2.gz YUXHIMDWBVUBJL-ZDUSSCGKSA-N 0 0 320.439 3.045 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCC1CSC1 ZINC000923830870 620662622 /nfs/dbraw/zinc/66/26/22/620662622.db2.gz SEMJSYLAOPXDQP-UHFFFAOYSA-N 0 0 308.447 3.067 20 10 DGCDRN Cc1cc(C(=O)Cn2ccccc2=O)c(C)n1-c1ccccc1C ZINC000917392602 620666486 /nfs/dbraw/zinc/66/64/86/620666486.db2.gz BNWFLZIMADBMCT-UHFFFAOYSA-N 0 0 320.392 3.447 20 10 DGCDRN COC(=O)c1cnc(SC[C@H]2C[C@@H]3[C@H](C2)C3(F)F)s1 ZINC000917777991 620683698 /nfs/dbraw/zinc/68/36/98/620683698.db2.gz NUZJBLLJXZLXQJ-RNLVFQAGSA-N 0 0 305.371 3.313 20 10 DGCDRN C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+](C)Cc1ccccc1O ZINC000111235926 620684924 /nfs/dbraw/zinc/68/49/24/620684924.db2.gz OUVNTVASHQBXAA-LSDHHAIUSA-N 0 0 324.424 3.190 20 10 DGCDRN Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2O)cc1C ZINC000111235484 620685123 /nfs/dbraw/zinc/68/51/23/620685123.db2.gz NFSIVJPWHGTUJW-OAHLLOKOSA-N 0 0 312.413 3.468 20 10 DGCDRN CCc1n[nH]cc1C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000917954620 620688674 /nfs/dbraw/zinc/68/86/74/620688674.db2.gz RCJTYWKFWYQLQW-UHFFFAOYSA-N 0 0 314.433 3.091 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1C[C@@H]2CCCC[C@@H]21 ZINC000853411208 620693681 /nfs/dbraw/zinc/69/36/81/620693681.db2.gz HUWMEEONJMKTTE-WMZOPIPTSA-N 0 0 313.445 3.371 20 10 DGCDRN C[C@@H]1CCCN(C(=O)NCCCSc2nccs2)CC1 ZINC000154643141 620696832 /nfs/dbraw/zinc/69/68/32/620696832.db2.gz VAULYODKTLHWGB-GFCCVEGCSA-N 0 0 313.492 3.457 20 10 DGCDRN CN(Cc1ccco1)C(=O)NCCCSc1nccs1 ZINC000154656666 620699680 /nfs/dbraw/zinc/69/96/80/620699680.db2.gz CKMIJJMEZZAKPD-UHFFFAOYSA-N 0 0 311.432 3.060 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C1\COc2ccc(F)cc21 ZINC000918156378 620699698 /nfs/dbraw/zinc/69/96/98/620699698.db2.gz OUNUMIRGQFNTLT-WYMLVPIESA-N 0 0 318.373 3.045 20 10 DGCDRN CCCCN(CC)C(=O)NCCCSc1nccs1 ZINC000154671044 620702383 /nfs/dbraw/zinc/70/23/83/620702383.db2.gz URACGBHZMYLERN-UHFFFAOYSA-N 0 0 301.481 3.457 20 10 DGCDRN Oc1cc2c(cc1CN1CC[C@@H]1c1ccc(F)cc1)OCO2 ZINC000853544561 620709118 /nfs/dbraw/zinc/70/91/18/620709118.db2.gz WBYBYOORXYWWGY-CQSZACIVSA-N 0 0 301.317 3.207 20 10 DGCDRN COc1ccc(N2CC[C@@H](Nc3sccc3[N+](=O)[O-])C2)cc1 ZINC000853758393 620734437 /nfs/dbraw/zinc/73/44/37/620734437.db2.gz DWQQXRCKWHNOLI-LLVKDONJSA-N 0 0 319.386 3.356 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@@H](C)C2CCC(F)CC2)c1 ZINC000853736595 620730939 /nfs/dbraw/zinc/73/09/39/620730939.db2.gz HPYZJPWBMHQVJN-DCBWTQNWSA-N 0 0 324.396 3.117 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2CC23CC(O)C3)c(C)n1-c1cccc(C)c1 ZINC000888976154 617644800 /nfs/dbraw/zinc/64/48/00/617644800.db2.gz CXQDNLMTDFWFBD-KGXSXCIVSA-N 0 0 324.424 3.046 20 10 DGCDRN Cc1c(C(=O)NCc2cccc(Cl)c2O)cnn1C(C)(C)C ZINC000890757301 617655988 /nfs/dbraw/zinc/65/59/88/617655988.db2.gz BMEKSLWRQOFKOX-UHFFFAOYSA-N 0 0 321.808 3.236 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1noc2c1CCCCC2 ZINC000890759523 617656375 /nfs/dbraw/zinc/65/63/75/617656375.db2.gz MOMDYOHFONBQCL-UHFFFAOYSA-N 0 0 320.776 3.233 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1ccn(C2CCCC2)n1 ZINC000890759390 617656595 /nfs/dbraw/zinc/65/65/95/617656595.db2.gz ANMQDKFKYZTIAK-UHFFFAOYSA-N 0 0 319.792 3.287 20 10 DGCDRN CO[C@H](C(=O)NCc1cccc(Cl)c1O)C1CCCCC1 ZINC000890761145 617657140 /nfs/dbraw/zinc/65/71/40/617657140.db2.gz MBZIZUJNLWKRCJ-HNNXBMFYSA-N 0 0 311.809 3.257 20 10 DGCDRN Cc1ccccc1C(=O)NCc1cc(Br)ccc1O ZINC000804737786 617661874 /nfs/dbraw/zinc/66/18/74/617661874.db2.gz XNUHTLXTCDZDKJ-UHFFFAOYSA-N 0 0 320.186 3.393 20 10 DGCDRN CCC[C@@H](C)C(=O)NCc1cc(Br)ccc1O ZINC000804736384 617661925 /nfs/dbraw/zinc/66/19/25/617661925.db2.gz UQLAKZNAETTXSE-SECBINFHSA-N 0 0 300.196 3.207 20 10 DGCDRN CC(C)(C)/C=C/C(=O)NCc1cc(Br)ccc1O ZINC000804737477 617662088 /nfs/dbraw/zinc/66/20/88/617662088.db2.gz JDCLKFNVVGBQPU-VOTSOKGWSA-N 0 0 312.207 3.373 20 10 DGCDRN CC[N@@H+](Cc1cc(C)cc(Br)c1[O-])C[C@@H](C)OC ZINC000812808168 617678890 /nfs/dbraw/zinc/67/88/90/617678890.db2.gz ADBTZZWLISIJKX-LLVKDONJSA-N 0 0 316.239 3.320 20 10 DGCDRN Oc1ccc(Br)cc1CNc1ncnc2[nH]ccc21 ZINC000804828378 617680170 /nfs/dbraw/zinc/68/01/70/617680170.db2.gz OXROJGQLHYXIMQ-UHFFFAOYSA-N 0 0 319.162 3.038 20 10 DGCDRN CCc1cc(NCc2cc(Br)ccc2O)nc(C)n1 ZINC000804828056 617680264 /nfs/dbraw/zinc/68/02/64/617680264.db2.gz ZENVVERMTPFEJH-UHFFFAOYSA-N 0 0 322.206 3.428 20 10 DGCDRN CSCC(C)(C)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000890876732 617694868 /nfs/dbraw/zinc/69/48/68/617694868.db2.gz MZSVHPDKVCHNDB-UHFFFAOYSA-N 0 0 317.458 3.361 20 10 DGCDRN CO[C@H](C)CN(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000804840958 617699209 /nfs/dbraw/zinc/69/92/09/617699209.db2.gz SQYHEBGORLUSQS-OAHLLOKOSA-N 0 0 300.402 3.201 20 10 DGCDRN CC(C)[C@@H](NC(=O)NCCCSc1nccs1)C1CC1 ZINC000853857584 620746333 /nfs/dbraw/zinc/74/63/33/620746333.db2.gz GQVHNHIUHZAFRX-GFCCVEGCSA-N 0 0 313.492 3.359 20 10 DGCDRN CN(C[C@H]1CC1(C)C)C(=O)NCCCSc1nccs1 ZINC000853858100 620746737 /nfs/dbraw/zinc/74/67/37/620746737.db2.gz KUUOFLGEMAXWPS-LLVKDONJSA-N 0 0 313.492 3.313 20 10 DGCDRN CC[C@@H]([NH2+][C@H]1CCN(C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806137096 617746493 /nfs/dbraw/zinc/74/64/93/617746493.db2.gz GVSXAQAOJQKATQ-GXFFZTMASA-N 0 0 303.233 3.444 20 10 DGCDRN C[C@H](NC(=O)NCCc1ccc(N)cc1)[C@]12C[C@H]1CCCC2 ZINC000892039714 617949545 /nfs/dbraw/zinc/94/95/45/617949545.db2.gz XUMVDYGJAJFZJU-JOQOYGCGSA-N 0 0 301.434 3.079 20 10 DGCDRN Cc1ncc(CN2CCCc3cc(OC(F)F)ccc32)cn1 ZINC000919804943 620766100 /nfs/dbraw/zinc/76/61/00/620766100.db2.gz VQELHFDNOJHXRB-UHFFFAOYSA-N 0 0 305.328 3.339 20 10 DGCDRN COc1ccc(CNc2ccc(F)cc2OC)c(O)c1OC ZINC000892253957 617996070 /nfs/dbraw/zinc/99/60/70/617996070.db2.gz IMIAWUWVKJIRTD-UHFFFAOYSA-N 0 0 307.321 3.169 20 10 DGCDRN COc1ccc(O)c(CNC(=O)C[C@@H](C)c2ccc(F)cc2)c1 ZINC000114543018 618004695 /nfs/dbraw/zinc/00/46/95/618004695.db2.gz FLRXKDVOPCIJKH-GFCCVEGCSA-N 0 0 317.360 3.350 20 10 DGCDRN COCc1ccccc1NCc1ccc(OC)c(OC)c1O ZINC000892336093 618032311 /nfs/dbraw/zinc/03/23/11/618032311.db2.gz ZGAVJENTXLVYMV-UHFFFAOYSA-N 0 0 303.358 3.168 20 10 DGCDRN CC[C@H]1CCC[C@H](NC(=O)NCc2cc(OC)ccc2O)C1 ZINC000155126325 620771055 /nfs/dbraw/zinc/77/10/55/620771055.db2.gz HUANMHULUQJYAR-JSGCOSHPSA-N 0 0 306.406 3.169 20 10 DGCDRN C[C@@H]([NH2+]CC(C)(C)OCC1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840877410 618057026 /nfs/dbraw/zinc/05/70/26/618057026.db2.gz WJOUFKWSBNTNBY-LLVKDONJSA-N 0 0 308.378 3.156 20 10 DGCDRN CCO[C@H](CC)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000919996414 620776012 /nfs/dbraw/zinc/77/60/12/620776012.db2.gz XVXNFDCQCBBHHA-QGZVFWFLSA-N 0 0 304.434 3.059 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000840881651 618107393 /nfs/dbraw/zinc/10/73/93/618107393.db2.gz PHIJIAKMYLBVJQ-CXAGYDPISA-N 0 0 321.367 3.487 20 10 DGCDRN CCc1nn(C)c(Cl)c1CN(C)Cc1ccc(N(C)C)cc1 ZINC000155188406 620783779 /nfs/dbraw/zinc/78/37/79/620783779.db2.gz BTAOKKOMBLHLMT-UHFFFAOYSA-N 0 0 320.868 3.334 20 10 DGCDRN CSc1cc(C)c(C(=O)NCc2ccc(N(C)C)cc2)o1 ZINC000854271874 620790979 /nfs/dbraw/zinc/79/09/79/620790979.db2.gz TYIXECIOBWDSQP-UHFFFAOYSA-N 0 0 304.415 3.306 20 10 DGCDRN COCc1csc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000854324692 620795140 /nfs/dbraw/zinc/79/51/40/620795140.db2.gz NAMRNQRYQYFBCS-UHFFFAOYSA-N 0 0 318.442 3.233 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCc1ccc(F)c(F)c1 ZINC000920343876 620795289 /nfs/dbraw/zinc/79/52/89/620795289.db2.gz IRHSNVFLCBBYJN-UHFFFAOYSA-N 0 0 306.312 3.012 20 10 DGCDRN COC(=O)Cc1cccc(NCc2cc(C)cc(OC)c2O)c1 ZINC000894422256 618327461 /nfs/dbraw/zinc/32/74/61/618327461.db2.gz ITHUHFXJFQCRPZ-UHFFFAOYSA-N 0 0 315.369 3.037 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1nc(C(C)(C)C)no1 ZINC000920402915 620799102 /nfs/dbraw/zinc/79/91/02/620799102.db2.gz BZNCKWVWPNAEFV-UHFFFAOYSA-N 0 0 301.390 3.329 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)c1cncs1 ZINC000893053663 618405903 /nfs/dbraw/zinc/40/59/03/618405903.db2.gz PIXQGHYMYBZJEA-GFCCVEGCSA-N 0 0 318.446 3.078 20 10 DGCDRN COc1ccc(CNc2ccn(CCC(C)C)n2)c(O)c1OC ZINC000893171677 618458380 /nfs/dbraw/zinc/45/83/80/618458380.db2.gz QBZIQFRVMKMPFM-UHFFFAOYSA-N 0 0 319.405 3.264 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CC[C@H]1C1CC1 ZINC000894882828 618486893 /nfs/dbraw/zinc/48/68/93/618486893.db2.gz LSALFFCBTJVNGU-LBPRGKRZSA-N 0 0 300.171 3.278 20 10 DGCDRN Oc1cccc(Br)c1CN1CC(C(F)(F)F)C1 ZINC000894891272 618489045 /nfs/dbraw/zinc/48/90/45/618489045.db2.gz XHNGRJDWBFJHOK-UHFFFAOYSA-N 0 0 310.113 3.149 20 10 DGCDRN Oc1ccc(Cl)cc1CN1CCc2nc[nH]c2C12CCC2 ZINC000895068182 618524905 /nfs/dbraw/zinc/52/49/05/618524905.db2.gz MLCZAXNHBRQQKJ-UHFFFAOYSA-N 0 0 303.793 3.206 20 10 DGCDRN CC/C=C(\F)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000866900151 618530621 /nfs/dbraw/zinc/53/06/21/618530621.db2.gz UFYZFFHZITXQQI-WACFDSSMSA-N 0 0 307.365 3.163 20 10 DGCDRN C[C@H](CCO)[N@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000895149903 618554476 /nfs/dbraw/zinc/55/44/76/618554476.db2.gz UHPHCNNYLQVHCY-MRVPVSSYSA-N 0 0 322.630 3.011 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000895280112 618587190 /nfs/dbraw/zinc/58/71/90/618587190.db2.gz OIITXRSWGKPHJV-MRXNPFEDSA-N 0 0 311.372 3.452 20 10 DGCDRN c1nc([C@H](NCc2ccc3c(c2)CCCO3)c2ccccc2)n[nH]1 ZINC000893559103 618603101 /nfs/dbraw/zinc/60/31/01/618603101.db2.gz GWLKUJNGNDEMAJ-GOSISDBHSA-N 0 0 320.396 3.009 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1cnn(C2CCC2)c1 ZINC000893614791 618617102 /nfs/dbraw/zinc/61/71/02/618617102.db2.gz QXLABYHNISCBOC-UHFFFAOYSA-N 0 0 312.417 3.073 20 10 DGCDRN O=C(NCCCSc1nccs1)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000893646233 618629753 /nfs/dbraw/zinc/62/97/53/618629753.db2.gz QVHAVGQFJNLZAB-QJPTWQEYSA-N 0 0 311.476 3.113 20 10 DGCDRN Cc1cc(CC(=O)N[C@H](C)c2ncc[nH]2)c(C)n1-c1ccccc1 ZINC000854593965 620821696 /nfs/dbraw/zinc/82/16/96/620821696.db2.gz ABVDKFCMDAUESV-CQSZACIVSA-N 0 0 322.412 3.237 20 10 DGCDRN Cc1ccc(O)c(CN([C@@H](C)C(=O)OC(C)(C)C)C2CC2)c1 ZINC000840959179 618636584 /nfs/dbraw/zinc/63/65/84/618636584.db2.gz VMZCNTAZQHGCGD-ZDUSSCGKSA-N 0 0 305.418 3.395 20 10 DGCDRN CN(C)c1ccc(/C=C\CNCc2nnc(C3CC3)s2)cc1 ZINC000840973530 618649016 /nfs/dbraw/zinc/64/90/16/618649016.db2.gz OJIZLWBVMRTLTG-ARJAWSKDSA-N 0 0 314.458 3.285 20 10 DGCDRN CCCCN(Cc1ccccc1O)c1ccnc(COC)n1 ZINC000893716791 618651771 /nfs/dbraw/zinc/65/17/71/618651771.db2.gz JDCCUWFLDKASAR-UHFFFAOYSA-N 0 0 301.390 3.135 20 10 DGCDRN COc1cc(C)cc(CN2CCCC[C@@H]2c2ncc[nH]2)c1O ZINC000893987265 618690639 /nfs/dbraw/zinc/69/06/39/618690639.db2.gz QDMQSDDZKSMAEQ-CQSZACIVSA-N 0 0 301.390 3.160 20 10 DGCDRN CCc1ccc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)nc1 ZINC000881210643 625290853 /nfs/dbraw/zinc/29/08/53/625290853.db2.gz WOYRWGBTDKZION-LLVKDONJSA-N 0 0 315.373 3.241 20 10 DGCDRN CCN(CC)c1ccc(CN[C@@H](C)c2cn(C)cn2)cc1F ZINC000925014421 618764388 /nfs/dbraw/zinc/76/43/88/618764388.db2.gz QFHUSZYFOPNKFJ-ZDUSSCGKSA-N 0 0 304.413 3.256 20 10 DGCDRN O=C(NC(C1CC1)C1CC1)c1cc2cc(O)c(O)cc2s1 ZINC000895614507 618807037 /nfs/dbraw/zinc/80/70/37/618807037.db2.gz PABRFFRFRZSCAY-UHFFFAOYSA-N 0 0 303.383 3.231 20 10 DGCDRN Cc1ccc(CNc2cccc([C@]3(C)COC(=O)N3)c2)c(O)c1 ZINC000895638358 618811162 /nfs/dbraw/zinc/81/11/62/618811162.db2.gz TYFVTEQQVLKSMS-SFHVURJKSA-N 0 0 312.369 3.268 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(F)ncc1C ZINC000896056451 618867704 /nfs/dbraw/zinc/86/77/04/618867704.db2.gz GBINLEKZRQVDQY-UHFFFAOYSA-N 0 0 302.349 3.287 20 10 DGCDRN C[C@@H]1[C@H](C)SCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896445188 618914887 /nfs/dbraw/zinc/91/48/87/618914887.db2.gz NSARYWWQCQDQFG-BDAKNGLRSA-N 0 0 323.439 3.279 20 10 DGCDRN [O-]c1cccc(F)c1C[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000896639734 618939912 /nfs/dbraw/zinc/93/99/12/618939912.db2.gz FQPURTZGCFDCPH-UHFFFAOYSA-N 0 0 311.303 3.465 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH+]1CCC(O)(C2CCC2)CC1 ZINC000897037034 619004938 /nfs/dbraw/zinc/00/49/38/619004938.db2.gz RCRKAYJPMJMFMT-UHFFFAOYSA-N 0 0 313.800 3.312 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000897083339 619012418 /nfs/dbraw/zinc/01/24/18/619012418.db2.gz XVYSDTXSIOIHAR-IAQYHMDHSA-N 0 0 313.800 3.480 20 10 DGCDRN Cc1sc(CC(=O)NCc2c(O)cccc2F)nc1C(C)C ZINC000928709203 619059704 /nfs/dbraw/zinc/05/97/04/619059704.db2.gz YKJGMEPVCSJRJD-UHFFFAOYSA-N 0 0 322.405 3.279 20 10 DGCDRN C[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H]1F ZINC000897332586 619060878 /nfs/dbraw/zinc/06/08/78/619060878.db2.gz LMCPLNOAFAQFCH-PSASIEDQSA-N 0 0 309.362 3.133 20 10 DGCDRN CCC(=O)N1CCc2ccc(NCc3cc(F)ccc3O)cc21 ZINC000897767128 619178281 /nfs/dbraw/zinc/17/82/81/619178281.db2.gz LVJVKTRMMYFSCO-UHFFFAOYSA-N 0 0 314.360 3.443 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCCC3(CC3)C2)c1 ZINC000897783725 619182572 /nfs/dbraw/zinc/18/25/72/619182572.db2.gz HXPNXQOGJAMLKP-STQMWFEESA-N 0 0 318.417 3.484 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H](CCO)C1CCCC1 ZINC000897885314 619191635 /nfs/dbraw/zinc/19/16/35/619191635.db2.gz GLRMNNVGLBJFNM-AWEZNQCLSA-N 0 0 301.789 3.216 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CC[C@@H]2CCC(F)(F)C2)c1 ZINC000898019599 619206439 /nfs/dbraw/zinc/20/64/39/619206439.db2.gz OWOBFIDLCHNDHL-JTQLQIEISA-N 0 0 300.305 3.216 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(CCO)cc1 ZINC000898169571 619219964 /nfs/dbraw/zinc/21/99/64/619219964.db2.gz HCGRKYQBSYNNKK-UHFFFAOYSA-N 0 0 309.768 3.009 20 10 DGCDRN COC(=O)c1cc(C[NH2+]Cc2cccc(Cl)c2[O-])c(C)o1 ZINC000898214335 619222158 /nfs/dbraw/zinc/22/21/58/619222158.db2.gz AHUKXONVVFIQFL-UHFFFAOYSA-N 0 0 309.749 3.023 20 10 DGCDRN CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])[C@H]1SC ZINC000898218366 619222367 /nfs/dbraw/zinc/22/23/67/619222367.db2.gz FRVGGUCVOCTVMH-YRGRVCCFSA-N 0 0 301.839 3.044 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000898219157 619222714 /nfs/dbraw/zinc/22/27/14/619222714.db2.gz VTIFGLSDWWLWBR-UHFFFAOYSA-N 0 0 305.687 3.077 20 10 DGCDRN COc1cccc(C[NH2+][C@H](C)c2cnn(CC3CCC3)c2)c1O ZINC000898177019 619223313 /nfs/dbraw/zinc/22/33/13/619223313.db2.gz IZZFREMEDFWDNQ-CYBMUJFWSA-N 0 0 315.417 3.248 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2C[C@@H]3CCC[C@H]23)cc1 ZINC000898288522 619232521 /nfs/dbraw/zinc/23/25/21/619232521.db2.gz LLBCELSLPFZXLC-BHYGNILZSA-N 0 0 301.434 3.083 20 10 DGCDRN Cc1ncccc1CC[NH2+]Cc1cc(Br)ccc1O ZINC000898256659 619232816 /nfs/dbraw/zinc/23/28/16/619232816.db2.gz DXTIMJXDDCCFKR-UHFFFAOYSA-N 0 0 321.218 3.190 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H](c2ccncc2)C2CC2)c1 ZINC000899000627 619306137 /nfs/dbraw/zinc/30/61/37/619306137.db2.gz TWQCJXSTRZYLOP-QGZVFWFLSA-N 0 0 311.385 3.046 20 10 DGCDRN CN(C[C@@H]1CC1(C)C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000899019073 619307466 /nfs/dbraw/zinc/30/74/66/619307466.db2.gz DUTAXKVFOFBKHZ-JTQLQIEISA-N 0 0 305.399 3.431 20 10 DGCDRN O=C1/C(=C\c2ccc3c(c2)CCCO3)SC(=S)N1C1CC1 ZINC000899260530 619323535 /nfs/dbraw/zinc/32/35/35/619323535.db2.gz JXSNVUGUMLWBGW-NTEUORMPSA-N 0 0 317.435 3.375 20 10 DGCDRN CCN1C(=O)/C(=C\c2ccc3c(c2)C[C@@H](C)O3)SC1=S ZINC000899333436 619326430 /nfs/dbraw/zinc/32/64/30/619326430.db2.gz QJLGYRPFJIHXOR-TVNQGELYSA-N 0 0 305.424 3.231 20 10 DGCDRN CN1C(=O)/C(=C\c2cnn(C3CCC3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000899381396 619335053 /nfs/dbraw/zinc/33/50/53/619335053.db2.gz PUNAFINFJZNKDC-CHHVJCJISA-N 0 0 324.340 3.033 20 10 DGCDRN CC1(C)CCCC[C@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000789063407 625347424 /nfs/dbraw/zinc/34/74/24/625347424.db2.gz DMZFSNMFDCBGIA-LBPRGKRZSA-N 0 0 306.358 3.040 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)c2nccs2)c1 ZINC000901127082 619473460 /nfs/dbraw/zinc/47/34/60/619473460.db2.gz HDAGEPHEQWSPRN-JTQLQIEISA-N 0 0 320.414 3.012 20 10 DGCDRN Cc1nnc(CCSc2ncc(-c3ccccc3)n2C)o1 ZINC000901425645 619499511 /nfs/dbraw/zinc/49/95/11/619499511.db2.gz WXIZODJIGPOTEJ-UHFFFAOYSA-N 0 0 300.387 3.113 20 10 DGCDRN CCN(CC)c1ccc(CNCc2cn(CC)cn2)cc1F ZINC000902223675 619604628 /nfs/dbraw/zinc/60/46/28/619604628.db2.gz KRHRNQMGCLUJHO-UHFFFAOYSA-N 0 0 304.413 3.178 20 10 DGCDRN CC[C@H]([NH2+][C@H](c1nncn1C)C(C)C)c1ccc(F)cc1[O-] ZINC000903063018 619708643 /nfs/dbraw/zinc/70/86/43/619708643.db2.gz AXTIGQCOPZPVFJ-ZFWWWQNUSA-N 0 0 306.385 3.098 20 10 DGCDRN C[C@H]([NH2+][C@@H](CO)CCc1ccccc1)c1ccc(F)cc1[O-] ZINC000903292692 619751918 /nfs/dbraw/zinc/75/19/18/619751918.db2.gz KODBRKXWDVFGEG-XJKSGUPXSA-N 0 0 303.377 3.176 20 10 DGCDRN C[C@@H]([NH2+][C@@H](CO)CCc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000903292175 619752156 /nfs/dbraw/zinc/75/21/56/619752156.db2.gz CUOBGAGPDSYWJP-IUODEOHRSA-N 0 0 321.367 3.315 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)c2cncs2)c1 ZINC000903309339 619756988 /nfs/dbraw/zinc/75/69/88/619756988.db2.gz DOXQEMSNBDQEGX-UWVGGRQHSA-N 0 0 306.387 3.047 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C)c2cncs2)c1 ZINC000903309338 619757012 /nfs/dbraw/zinc/75/70/12/619757012.db2.gz DOXQEMSNBDQEGX-NXEZZACHSA-N 0 0 306.387 3.047 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(CCO)cc1)c1cc(F)cc(F)c1[O-] ZINC000903403480 619774261 /nfs/dbraw/zinc/77/42/61/619774261.db2.gz RALOKULOEJHCQQ-NSHDSACASA-N 0 0 307.340 3.056 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cnc2n1CCOC2)c1cccc(Cl)c1[O-] ZINC000903420113 619776112 /nfs/dbraw/zinc/77/61/12/619776112.db2.gz LYAIAKWTZZUEAR-CQSZACIVSA-N 0 0 321.808 3.013 20 10 DGCDRN Cc1cc(-c2nc(C3(N)CC3)no2)c(C)n1-c1cccc(C)c1 ZINC000905315057 619986335 /nfs/dbraw/zinc/98/63/35/619986335.db2.gz OEMHGOQXPQJLGA-UHFFFAOYSA-N 0 0 308.385 3.400 20 10 DGCDRN OCC1(C[C@H](O)CNc2ccccc2OCC2CC2)CCCC1 ZINC000905324912 619987721 /nfs/dbraw/zinc/98/77/21/619987721.db2.gz MWBZBAOFSNVVFP-INIZCTEOSA-N 0 0 319.445 3.191 20 10 DGCDRN CC(C)COc1ccccc1NC[C@@H](O)CC1(O)CCCC1 ZINC000905309930 619989425 /nfs/dbraw/zinc/98/94/25/619989425.db2.gz ZKUHOMMVTGUANY-HNNXBMFYSA-N 0 0 307.434 3.189 20 10 DGCDRN CNC(=O)c1ccc(C)c(NCc2c(O)cccc2Cl)c1 ZINC000149173156 620100284 /nfs/dbraw/zinc/10/02/84/620100284.db2.gz BAPAVBXIXCUAKK-UHFFFAOYSA-N 0 0 304.777 3.326 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)[C@H]1CCCO1 ZINC000908044361 620187697 /nfs/dbraw/zinc/18/76/97/620187697.db2.gz AWKFVQRVBHVIDV-WMLDXEAASA-N 0 0 305.418 3.336 20 10 DGCDRN COC(=O)c1ccc(CN2CCCc3cc(OC)ccc32)o1 ZINC000027959746 620264236 /nfs/dbraw/zinc/26/42/36/620264236.db2.gz ZRCIQDWANDIBMP-UHFFFAOYSA-N 0 0 301.342 3.028 20 10 DGCDRN Cc1ccsc1CCCC(=O)NCc1ccc(O)cc1O ZINC000910950618 620318446 /nfs/dbraw/zinc/31/84/46/620318446.db2.gz YPMYPOXIALDWMY-UHFFFAOYSA-N 0 0 305.399 3.107 20 10 DGCDRN CCc1ccc(C(C)(C)C(=O)NCc2ccc(O)cc2O)cc1 ZINC000910951820 620318455 /nfs/dbraw/zinc/31/84/55/620318455.db2.gz VOEWRYDNGLEHSM-UHFFFAOYSA-N 0 0 313.397 3.254 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000910951643 620318474 /nfs/dbraw/zinc/31/84/74/620318474.db2.gz JZWNERZHMZUYCY-GXSJLCMTSA-N 0 0 317.307 3.083 20 10 DGCDRN C[C@H](CCc1ccccc1F)C(=O)NCc1ccc(O)cc1O ZINC000910950508 620318562 /nfs/dbraw/zinc/31/85/62/620318562.db2.gz GLLHWUONXIZXIN-GFCCVEGCSA-N 0 0 317.360 3.122 20 10 DGCDRN C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C1(C)CC1 ZINC000912069398 620363866 /nfs/dbraw/zinc/36/38/66/620363866.db2.gz ODKMISHGNUATES-AWEZNQCLSA-N 0 0 301.434 3.275 20 10 DGCDRN CCOc1ccc(N(C)Cc2cccc(C(=O)N(C)C)c2)cc1 ZINC000150733507 620388349 /nfs/dbraw/zinc/38/83/49/620388349.db2.gz IQXZJKQYEHNLQT-UHFFFAOYSA-N 0 0 312.413 3.424 20 10 DGCDRN Cc1cc(O)ccc1NS(=O)(=O)c1cc(Cl)ccc1C ZINC000151871124 620477506 /nfs/dbraw/zinc/47/75/06/620477506.db2.gz UAVZYMOEEWKLAT-UHFFFAOYSA-N 0 0 311.790 3.463 20 10 DGCDRN O=C(NCCCSc1nccs1)NC(C1CC1)C1CC1 ZINC000151939373 620483313 /nfs/dbraw/zinc/48/33/13/620483313.db2.gz XWFLYHUMBLARIN-UHFFFAOYSA-N 0 0 311.476 3.113 20 10 DGCDRN C[C@H]1C[C@@H]1c1ccc(CNC(=O)NCc2c(O)cccc2F)o1 ZINC000914245993 620515094 /nfs/dbraw/zinc/51/50/94/620515094.db2.gz RKZIVNDCDYSTPZ-JQWIXIFHSA-N 0 0 318.348 3.247 20 10 DGCDRN CC[C@@H](C)[C@H](C)NC(=O)NCCCSc1nccs1 ZINC000152774604 620521233 /nfs/dbraw/zinc/52/12/33/620521233.db2.gz PJDKZUXFOTYZKE-MNOVXSKESA-N 0 0 301.481 3.359 20 10 DGCDRN COc1cccc(N(CC(C)C)C(=O)/C=C\c2cnn(C)c2)c1 ZINC000914525694 620540812 /nfs/dbraw/zinc/54/08/12/620540812.db2.gz CKCTVIVYTVBTCK-HJWRWDBZSA-N 0 0 313.401 3.131 20 10 DGCDRN COc1ccccc1NC[C@H](O)COc1ccc(C)cc1C ZINC000032186304 620552988 /nfs/dbraw/zinc/55/29/88/620552988.db2.gz QLJBKZSNBJGDMM-HNNXBMFYSA-N 0 0 301.386 3.164 20 10 DGCDRN CN(C)c1ccc(CN(C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000915212482 620573313 /nfs/dbraw/zinc/57/33/13/620573313.db2.gz WRLUYKJYCCBFHG-UHFFFAOYSA-N 0 0 303.337 3.436 20 10 DGCDRN CCC(CC)CNC(=O)NCCCSc1nccs1 ZINC000153762119 620602638 /nfs/dbraw/zinc/60/26/38/620602638.db2.gz IQJNBJRQRJSUMW-UHFFFAOYSA-N 0 0 301.481 3.361 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H](C)C2CCC(F)CC2)c(O)c1 ZINC000852630289 620635439 /nfs/dbraw/zinc/63/54/39/620635439.db2.gz BMUOLJKPUXHROJ-DCBWTQNWSA-N 0 0 324.396 3.117 20 10 DGCDRN C[C@H](NC(=O)N(C)Cc1ccccc1O)c1cccc(O)c1 ZINC000112457638 620825927 /nfs/dbraw/zinc/82/59/27/620825927.db2.gz OYNSECWEWZLYEJ-LBPRGKRZSA-N 0 0 300.358 3.000 20 10 DGCDRN CCN(C[C@@H](O)c1cccc(F)c1)c1ccc(OC)c(OC)c1 ZINC000921061352 620835690 /nfs/dbraw/zinc/83/56/90/620835690.db2.gz CQXWBYVAFWGLPD-MRXNPFEDSA-N 0 0 319.376 3.403 20 10 DGCDRN CCOC1(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CCC1 ZINC000854949933 620856652 /nfs/dbraw/zinc/85/66/52/620856652.db2.gz ZWCSZGMCPSXOCM-HNNXBMFYSA-N 0 0 318.461 3.067 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@]3(C)C(C)C)C2)cc1 ZINC000855225525 620881732 /nfs/dbraw/zinc/88/17/32/620881732.db2.gz KANXRFCCHQHFQD-UCLAIMLFSA-N 0 0 316.445 3.072 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)C[C@H]3CCC[C@H]3C)C2)cc1 ZINC000855223665 620881891 /nfs/dbraw/zinc/88/18/91/620881891.db2.gz CETABBIFVBFHIE-OAGGEKHMSA-N 0 0 316.445 3.216 20 10 DGCDRN CC[C@H](C)CCC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855223262 620882002 /nfs/dbraw/zinc/88/20/02/620882002.db2.gz FBFUQCMCLLAIAX-GJZGRUSLSA-N 0 0 304.434 3.216 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)C[C@@H](C)CC(C)C)C2)cc1 ZINC000855231610 620882389 /nfs/dbraw/zinc/88/23/89/620882389.db2.gz WXPMBQBNCJDKGN-JKSUJKDBSA-N 0 0 318.461 3.462 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)CC3=CCCCC3)C2)cc1 ZINC000855229644 620882466 /nfs/dbraw/zinc/88/24/66/620882466.db2.gz BNGRJMFEWHWZTL-INIZCTEOSA-N 0 0 314.429 3.281 20 10 DGCDRN CSCC[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000134907965 620883159 /nfs/dbraw/zinc/88/31/59/620883159.db2.gz AZHZDLMOPSAECS-SSDOTTSWSA-N 0 0 308.216 3.307 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(c2ccco2)CC1 ZINC000855291382 620887620 /nfs/dbraw/zinc/88/76/20/620887620.db2.gz HVGDAHRYPXNZMK-GQCTYLIASA-N 0 0 313.353 3.110 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3C=CCC3)ccc21 ZINC000855423105 620901782 /nfs/dbraw/zinc/90/17/82/620901782.db2.gz DVYIGLYSNXMBNN-INIZCTEOSA-N 0 0 312.413 3.353 20 10 DGCDRN Cc1cc(C(=O)NCCC(C)(C)F)c(C)n1-c1ccccn1 ZINC000855746398 620931912 /nfs/dbraw/zinc/93/19/12/620931912.db2.gz AWMCKKKSVQJIQF-UHFFFAOYSA-N 0 0 303.381 3.357 20 10 DGCDRN CCc1cnccc1[C@@H](C)NC(=O)NCc1c(O)cccc1F ZINC000921789695 620950090 /nfs/dbraw/zinc/95/00/90/620950090.db2.gz XMDCNZWNRFXWRY-LLVKDONJSA-N 0 0 317.364 3.049 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C=C/c1ccc(C)nc1)CCC2 ZINC000856076280 620958225 /nfs/dbraw/zinc/95/82/25/620958225.db2.gz AHPJJRXZFWDQEX-JXMROGBWSA-N 0 0 308.381 3.391 20 10 DGCDRN Cc1cc(C(=O)N2CCC3(COC3)C2)c(C)n1-c1cccc(C)c1 ZINC000856195536 620971293 /nfs/dbraw/zinc/97/12/93/620971293.db2.gz PVSNBSQHDHCLBN-UHFFFAOYSA-N 0 0 324.424 3.265 20 10 DGCDRN O=C(NCc1c(O)cccc1F)N[C@H]1CCCc2sccc21 ZINC000922014054 620980322 /nfs/dbraw/zinc/98/03/22/620980322.db2.gz FIMZFUZRRVGEIK-ZDUSSCGKSA-N 0 0 320.389 3.470 20 10 DGCDRN CC(C)(CNC(=O)/C=C/c1ccc(O)c(O)c1)CC(F)(F)F ZINC000856518897 621002862 /nfs/dbraw/zinc/00/28/62/621002862.db2.gz CWPLVOUUVFRVGJ-GQCTYLIASA-N 0 0 317.307 3.206 20 10 DGCDRN Cc1ccc(C(=O)NCC(C)(C)CC(F)(F)F)c(O)c1O ZINC000856519605 621002875 /nfs/dbraw/zinc/00/28/75/621002875.db2.gz JYLRJUKTQVZJQX-UHFFFAOYSA-N 0 0 305.296 3.115 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2cc(SC)ccc2C)c1 ZINC000114543132 621009209 /nfs/dbraw/zinc/00/92/09/621009209.db2.gz RFSRIVQVVKIFOX-UHFFFAOYSA-N 0 0 317.410 3.361 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2ccc(C)c(Cl)c2)c1 ZINC000114541918 621009224 /nfs/dbraw/zinc/00/92/24/621009224.db2.gz WCIRJXOZKXOQOJ-UHFFFAOYSA-N 0 0 305.761 3.293 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Cc2c(F)cccc2Cl)c1 ZINC000114540729 621009395 /nfs/dbraw/zinc/00/93/95/621009395.db2.gz IYUCUNYRZBVCPD-UHFFFAOYSA-N 0 0 323.751 3.052 20 10 DGCDRN CCOc1cccc(NC(=O)NCc2cc(OC)ccc2O)c1 ZINC000114572512 621016030 /nfs/dbraw/zinc/01/60/30/621016030.db2.gz QFHNPKSNLMDQPO-UHFFFAOYSA-N 0 0 316.357 3.121 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c1 ZINC000114582343 621016697 /nfs/dbraw/zinc/01/66/97/621016697.db2.gz MMVRQVOTTVNWJA-YWPYICTPSA-N 0 0 306.406 3.025 20 10 DGCDRN C[C@@H](NC(=O)NCC[C@@H]1CC1(F)F)c1ccc(N(C)C)cc1 ZINC000856847972 621028364 /nfs/dbraw/zinc/02/83/64/621028364.db2.gz AANVTZLNCYWQAO-DGCLKSJQSA-N 0 0 311.376 3.158 20 10 DGCDRN CCN(Cc1cn(C)nc1Cl)Cc1ccc(N(C)C)cc1 ZINC000857011764 621044147 /nfs/dbraw/zinc/04/41/47/621044147.db2.gz IXPKUHVDHDAVHP-UHFFFAOYSA-N 0 0 306.841 3.162 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1CO ZINC000857062219 621052933 /nfs/dbraw/zinc/05/29/33/621052933.db2.gz ZCZGJLHJOUCBRJ-KOLCDFICSA-N 0 0 304.217 3.149 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1CO ZINC000857062221 621053076 /nfs/dbraw/zinc/05/30/76/621053076.db2.gz ZCZGJLHJOUCBRJ-MWLCHTKSSA-N 0 0 304.217 3.149 20 10 DGCDRN CCn1ncc(Cl)c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000857181118 621065614 /nfs/dbraw/zinc/06/56/14/621065614.db2.gz ILSIHBCAGFVAFY-LLVKDONJSA-N 0 0 320.824 3.113 20 10 DGCDRN O=C(NCc1c(O)cccc1F)NC[C@@H]1CCCCC1(F)F ZINC000922658497 621075232 /nfs/dbraw/zinc/07/52/32/621075232.db2.gz PELLRWOODSAFLL-JTQLQIEISA-N 0 0 316.323 3.156 20 10 DGCDRN C[C@H]1Cc2cc(C[NH2+]Cc3cc(F)cc(F)c3[O-])ccc2O1 ZINC000922702177 621087575 /nfs/dbraw/zinc/08/75/75/621087575.db2.gz WVVDZGUCFIOMTD-JTQLQIEISA-N 0 0 305.324 3.284 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cc(F)ccc1O ZINC000857473205 621090144 /nfs/dbraw/zinc/09/01/44/621090144.db2.gz UHXQJDLBMJKUTP-UHFFFAOYSA-N 0 0 315.344 3.046 20 10 DGCDRN COc1ccc(C)cc1CC(=O)NCc1cc(Cl)ccc1O ZINC000857547487 621095066 /nfs/dbraw/zinc/09/50/66/621095066.db2.gz GRTKLWYUIJTLLV-UHFFFAOYSA-N 0 0 319.788 3.222 20 10 DGCDRN CCOc1cccc(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC000857547895 621095364 /nfs/dbraw/zinc/09/53/64/621095364.db2.gz ZEYPSHQVJYHVBU-UHFFFAOYSA-N 0 0 305.761 3.374 20 10 DGCDRN CCOC1(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCC1 ZINC000857575858 621097577 /nfs/dbraw/zinc/09/75/77/621097577.db2.gz ULDCZIUGEDXMTR-UHFFFAOYSA-N 0 0 316.445 3.203 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccnn1C(C)C ZINC000115640439 621120943 /nfs/dbraw/zinc/12/09/43/621120943.db2.gz FSRQAHXIPAGMFC-UHFFFAOYSA-N 0 0 315.421 3.160 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC[C@@H]1OCCc2ccccc21 ZINC000922958012 621138104 /nfs/dbraw/zinc/13/81/04/621138104.db2.gz MQWGYSAWGQRPLZ-KRWDZBQOSA-N 0 0 319.351 3.464 20 10 DGCDRN CC(C)Cn1ccnc1CNCc1cc(F)c(N(C)C)cc1F ZINC000858145609 621157630 /nfs/dbraw/zinc/15/76/30/621157630.db2.gz ZGHIFRDYAYZIIW-UHFFFAOYSA-N 0 0 322.403 3.173 20 10 DGCDRN Cc1nnc([C@H](C)NCc2cc(F)c(N(C)C)cc2F)s1 ZINC000858156205 621159638 /nfs/dbraw/zinc/15/96/38/621159638.db2.gz DQOKTBIBLTYTBD-QMMMGPOBSA-N 0 0 312.389 3.042 20 10 DGCDRN CSc1cc(CNCc2cc(F)c(N(C)C)cc2F)ccn1 ZINC000858155505 621159654 /nfs/dbraw/zinc/15/96/54/621159654.db2.gz CKAIOIXQIRAGNY-UHFFFAOYSA-N 0 0 323.412 3.438 20 10 DGCDRN C[C@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccns1 ZINC000858369797 621181837 /nfs/dbraw/zinc/18/18/37/621181837.db2.gz XWWBFNSPLMSTGX-RYUDHWBXSA-N 0 0 318.446 3.331 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1ccc(F)cc1[O-] ZINC000858478971 621196287 /nfs/dbraw/zinc/19/62/87/621196287.db2.gz FYMSDDQVLFTDOQ-GXTWGEPZSA-N 0 0 316.367 3.302 20 10 DGCDRN Cc1cc(CNC(=O)N[C@@H](C)CF)c(C)n1-c1ccccc1 ZINC000858486213 621197296 /nfs/dbraw/zinc/19/72/96/621197296.db2.gz LOFVSKOIFFQKFF-LBPRGKRZSA-N 0 0 303.381 3.251 20 10 DGCDRN CCC(F)(F)CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000858507987 621200278 /nfs/dbraw/zinc/20/02/78/621200278.db2.gz LJDRWYNASYBEJQ-LBPRGKRZSA-N 0 0 316.367 3.358 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000858531322 621202427 /nfs/dbraw/zinc/20/24/27/621202427.db2.gz DKSIKNPMKOAAHE-BXUZGUMPSA-N 0 0 310.388 3.338 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H]2CCC[C@@H]2C2CC2)c1 ZINC000858537116 621202717 /nfs/dbraw/zinc/20/27/17/621202717.db2.gz MNUHMHNGXMUHKN-GOEBONIOSA-N 0 0 302.418 3.326 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)c1 ZINC000858536439 621202747 /nfs/dbraw/zinc/20/27/47/621202747.db2.gz HTKJUGKNQZEIBH-NASWQRNTSA-N 0 0 303.402 3.266 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC[C@H]2CC23CCSCC3)c1 ZINC000858549036 621203434 /nfs/dbraw/zinc/20/34/34/621203434.db2.gz ZRFKOCRWLRSZJA-CQSZACIVSA-N 0 0 320.458 3.033 20 10 DGCDRN COc1ccc2nc(/C=C3/SC(=S)N(C)C3=O)sc2c1 ZINC000788680570 621204252 /nfs/dbraw/zinc/20/42/52/621204252.db2.gz OBDVHUDDYCFLKF-UXBLZVDNSA-N 0 0 322.436 3.136 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H](C)C2CCC(F)CC2)c1 ZINC000858620380 621210175 /nfs/dbraw/zinc/21/01/75/621210175.db2.gz XYPVRIFKRHSCSP-DNOWBOINSA-N 0 0 308.397 3.417 20 10 DGCDRN CCO[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000858835212 621224066 /nfs/dbraw/zinc/22/40/66/621224066.db2.gz CWXBCHWWCPKEOJ-SFHVURJKSA-N 0 0 316.445 3.108 20 10 DGCDRN C[C@]1(CNC(=O)NCc2cc(Cl)ccc2O)C[C@H]2C[C@H]2C1 ZINC000858889691 621228992 /nfs/dbraw/zinc/22/89/92/621228992.db2.gz KQYWTVVJXZVWPM-CDMJZVDBSA-N 0 0 308.809 3.281 20 10 DGCDRN CCCOC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000858910810 621230931 /nfs/dbraw/zinc/23/09/31/621230931.db2.gz ZIZDYRGFAPRWHT-STQMWFEESA-N 0 0 324.396 3.076 20 10 DGCDRN COc1ccc(O)c(CNC(=O)C[C@@H](C)c2cccc(F)c2)c1 ZINC000116452159 621235910 /nfs/dbraw/zinc/23/59/10/621235910.db2.gz HKTDJRUGBHFITE-GFCCVEGCSA-N 0 0 317.360 3.350 20 10 DGCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)[C@@H]1C ZINC000838375185 621239473 /nfs/dbraw/zinc/23/94/73/621239473.db2.gz DBEQUIONOBDHIP-HZPDHXFCSA-N 0 0 315.461 3.473 20 10 DGCDRN CC[C@H](NC(=O)NCc1cc(OC)ccc1O)C1CCCC1 ZINC000838474760 621258386 /nfs/dbraw/zinc/25/83/86/621258386.db2.gz QIUFBMYVHHIGJC-HNNXBMFYSA-N 0 0 306.406 3.169 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNC(=O)OCCC(C)C)C2)cc1 ZINC000859196052 621259430 /nfs/dbraw/zinc/25/94/30/621259430.db2.gz JACHFJQLQOBHCB-HNNXBMFYSA-N 0 0 320.433 3.294 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@](C)(CC)OC ZINC000838662090 621270429 /nfs/dbraw/zinc/27/04/29/621270429.db2.gz ZJCJDFUWUIKCJY-QGZVFWFLSA-N 0 0 308.422 3.129 20 10 DGCDRN COc1cccc(CNC(=O)NCC(C)(C)C2=CCCC2)c1O ZINC000838730267 621274164 /nfs/dbraw/zinc/27/41/64/621274164.db2.gz GDKXPNJTYGJBLF-UHFFFAOYSA-N 0 0 318.417 3.337 20 10 DGCDRN Oc1ccccc1CN1CC(OCCCOc2ccccc2)C1 ZINC000839138890 621339610 /nfs/dbraw/zinc/33/96/10/621339610.db2.gz WCFXXBBYHQIPGP-UHFFFAOYSA-N 0 0 313.397 3.062 20 10 DGCDRN Fc1cccc2c1CN(Cc1ccc(N3CCOCC3)cc1)C2 ZINC000839184557 621344511 /nfs/dbraw/zinc/34/45/11/621344511.db2.gz VLEZHXKHFCRHLS-UHFFFAOYSA-N 0 0 312.388 3.178 20 10 DGCDRN CCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C1CCC1 ZINC000839193409 621347297 /nfs/dbraw/zinc/34/72/97/621347297.db2.gz YFJFBAUOXWGBGM-ZDUSSCGKSA-N 0 0 308.378 3.367 20 10 DGCDRN C/C(=C\C(=O)N1CCCc2c(F)ccc(C)c21)c1cnccn1 ZINC000839282563 621354631 /nfs/dbraw/zinc/35/46/31/621354631.db2.gz LPNLLSXDHFMGGP-JLHYYAGUSA-N 0 0 311.360 3.307 20 10 DGCDRN C[C@@H]1C[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000103413689 621362995 /nfs/dbraw/zinc/36/29/95/621362995.db2.gz YCGOJFXJJQVXCL-RISCZKNCSA-N 0 0 314.351 3.300 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)nc1C ZINC000839524384 621381611 /nfs/dbraw/zinc/38/16/11/621381611.db2.gz FDOJZKWVRBACGY-UHFFFAOYSA-N 0 0 309.413 3.229 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1cccc(Cl)n1 ZINC000752718826 621405574 /nfs/dbraw/zinc/40/55/74/621405574.db2.gz YZFYVQKWHHLXGP-UHFFFAOYSA-N 0 0 318.808 3.431 20 10 DGCDRN CN(c1ccc(CNC(=O)N2CC(F)C2)cc1)C1CCCCC1 ZINC000753130633 621427013 /nfs/dbraw/zinc/42/70/13/621427013.db2.gz HKFMBJSIAUZQRS-UHFFFAOYSA-N 0 0 319.424 3.319 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CCCCS1 ZINC000753193173 621430462 /nfs/dbraw/zinc/43/04/62/621430462.db2.gz WWRNKEGDGKJOAC-INIZCTEOSA-N 0 0 321.490 3.146 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H](OC)C1(C)C ZINC000753557521 621448287 /nfs/dbraw/zinc/44/82/87/621448287.db2.gz OQUBLEGSWQNDLC-CVEARBPZSA-N 0 0 320.433 3.127 20 10 DGCDRN COC(=O)COc1ccc(N(C)Cc2cc(C)ccc2F)cc1 ZINC000753590952 621452415 /nfs/dbraw/zinc/45/24/15/621452415.db2.gz HJIPIUMNQWACNY-UHFFFAOYSA-N 0 0 317.360 3.322 20 10 DGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)C1CC(F)(F)C1 ZINC000753597890 621453072 /nfs/dbraw/zinc/45/30/72/621453072.db2.gz SPUZIMOJTBNTGE-UHFFFAOYSA-N 0 0 308.372 3.338 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NCC(C)(C)C2CCCC2)c1 ZINC000753633966 621456632 /nfs/dbraw/zinc/45/66/32/621456632.db2.gz GSVYHNGLEIJQOW-UHFFFAOYSA-N 0 0 320.433 3.416 20 10 DGCDRN COCCc1ccccc1NC(=O)NCc1cc(C)ccc1O ZINC000860994297 621466218 /nfs/dbraw/zinc/46/62/18/621466218.db2.gz MKTCQSNXFIHQIS-UHFFFAOYSA-N 0 0 314.385 3.211 20 10 DGCDRN CCN(CC(=O)c1cc(C)n(C)c1C)c1ccc(OC)cc1 ZINC000754642076 621521809 /nfs/dbraw/zinc/52/18/09/621521809.db2.gz XAGANODCKRMCJW-UHFFFAOYSA-N 0 0 300.402 3.360 20 10 DGCDRN CC1(NC(=O)NCCc2ccc(N)cc2)CCC(F)(F)CC1 ZINC000861642074 621531151 /nfs/dbraw/zinc/53/11/51/621531151.db2.gz ZSPOGMYWAAGFMX-UHFFFAOYSA-N 0 0 311.376 3.079 20 10 DGCDRN C[C@@H]1CN(C(=O)C2=CC(=O)CS2)[C@@H](c2ccccc2)CO1 ZINC000754907756 621540836 /nfs/dbraw/zinc/54/08/36/621540836.db2.gz PCOFYEPJLPPLKY-BXUZGUMPSA-N 0 0 303.383 3.056 20 10 DGCDRN COC[C@H](C)CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000755081401 621550832 /nfs/dbraw/zinc/55/08/32/621550832.db2.gz HVRRKCNVIZXWAD-MRXNPFEDSA-N 0 0 318.461 3.308 20 10 DGCDRN O=C(C[C@@H]1CCC(F)(F)C1)NCc1ccc2cccnc2c1O ZINC000862026520 621551089 /nfs/dbraw/zinc/55/10/89/621551089.db2.gz QZZAZPUCHQULMQ-NSHDSACASA-N 0 0 320.339 3.382 20 10 DGCDRN C[C@@H]1CN(Cc2c(O)cccc2Br)[C@H](C)[C@@H](C)O1 ZINC000862337549 621575705 /nfs/dbraw/zinc/57/57/05/621575705.db2.gz WYVPKAQWTFZCIK-GMTAPVOTSA-N 0 0 314.223 3.152 20 10 DGCDRN CCOC(=O)/C=C/CSc1ncc(-c2ccccc2)n1C ZINC000755626694 621581758 /nfs/dbraw/zinc/58/17/58/621581758.db2.gz PTOBFRQRUJLNEV-JXMROGBWSA-N 0 0 302.399 3.299 20 10 DGCDRN Cc1cccc2c1C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])CO2 ZINC000862441532 621590554 /nfs/dbraw/zinc/59/05/54/621590554.db2.gz VYYJAOKQDNJAJC-CYBMUJFWSA-N 0 0 303.789 3.447 20 10 DGCDRN COc1cccc(NCc2cc(OC)c(OC)cc2O)c1C ZINC000862480689 621593300 /nfs/dbraw/zinc/59/33/00/621593300.db2.gz HERUMINZKUESAI-UHFFFAOYSA-N 0 0 303.358 3.339 20 10 DGCDRN CC[C@H]1CC(=O)N(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000755913328 621602347 /nfs/dbraw/zinc/60/23/47/621602347.db2.gz NRTNJVSBGGBLLM-INIZCTEOSA-N 0 0 317.477 3.179 20 10 DGCDRN COc1ccc2c(c1)CC[C@@H]2C(=O)NCc1cc(C)ccc1O ZINC000862753024 621613197 /nfs/dbraw/zinc/61/31/97/621613197.db2.gz AAQNLTQUMIHROH-KRWDZBQOSA-N 0 0 311.381 3.055 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CCCc3c(O)cccc32)c1 ZINC000862757179 621613674 /nfs/dbraw/zinc/61/36/74/621613674.db2.gz KFFWWSKTOHVUHZ-MRXNPFEDSA-N 0 0 311.381 3.143 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H](OC(C)C)c2ccccc2)c1 ZINC000862756271 621613733 /nfs/dbraw/zinc/61/37/33/621613733.db2.gz UUBRLCUODVZQPD-SFHVURJKSA-N 0 0 313.397 3.483 20 10 DGCDRN COc1cccc2c1[C@H](C(=O)NCc1cc(C)ccc1O)CC2 ZINC000862755830 621613747 /nfs/dbraw/zinc/61/37/47/621613747.db2.gz ZGJFZWMRIZCWAN-OAHLLOKOSA-N 0 0 311.381 3.055 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CCCc3c(O)cccc32)c1 ZINC000862757178 621613791 /nfs/dbraw/zinc/61/37/91/621613791.db2.gz KFFWWSKTOHVUHZ-INIZCTEOSA-N 0 0 311.381 3.143 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000862756907 621613837 /nfs/dbraw/zinc/61/38/37/621613837.db2.gz AEGIGFLDISBZMS-WMLDXEAASA-N 0 0 305.418 3.158 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)C2(Cc3ccc(F)cc3)CC2)c1 ZINC000862757081 621613979 /nfs/dbraw/zinc/61/39/79/621613979.db2.gz HAYIIBNVNQMSAH-UHFFFAOYSA-N 0 0 313.372 3.479 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@H](C)Cc2ccccc2F)c1 ZINC000862759622 621614247 /nfs/dbraw/zinc/61/42/47/621614247.db2.gz HIZDEXOYTYTGQZ-CYBMUJFWSA-N 0 0 301.361 3.335 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CCSCc2ccccn2)c1 ZINC000862758515 621614333 /nfs/dbraw/zinc/61/43/33/621614333.db2.gz BNRIVIJMSMEXIY-UHFFFAOYSA-N 0 0 316.426 3.035 20 10 DGCDRN Cc1noc(C)c1[C@H](C)CC(=O)NCc1cc(C)ccc1O ZINC000862758010 621614363 /nfs/dbraw/zinc/61/43/63/621614363.db2.gz LPAPRQVZSCPKTE-LLVKDONJSA-N 0 0 302.374 3.115 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)C(C)(C)c2ccccc2F)c1 ZINC000862758916 621614369 /nfs/dbraw/zinc/61/43/69/621614369.db2.gz QINDYTWCHOOZSY-UHFFFAOYSA-N 0 0 301.361 3.434 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CCCc3sccc32)c1 ZINC000862758457 621614376 /nfs/dbraw/zinc/61/43/76/621614376.db2.gz ZTWJJIMGEQNMKO-CQSZACIVSA-N 0 0 301.411 3.498 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119196213 621627457 /nfs/dbraw/zinc/62/74/57/621627457.db2.gz LGNDHUNDXRCTAM-UHFFFAOYSA-N 0 0 320.732 3.226 20 10 DGCDRN COc1ccccc1OCC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756369180 621632312 /nfs/dbraw/zinc/63/23/12/621632312.db2.gz AYWWGJRPAGCWOT-LBPRGKRZSA-N 0 0 305.349 3.270 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1cc(F)cc(F)c1[O-] ZINC000756374162 621632664 /nfs/dbraw/zinc/63/26/64/621632664.db2.gz YJEHVHQMAXFHCC-SNVBAGLBSA-N 0 0 321.323 3.292 20 10 DGCDRN C[C@@H]([NH2+]CCc1c(F)cccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756422162 621637182 /nfs/dbraw/zinc/63/71/82/621637182.db2.gz LIGFBDAPJNDLHP-SNVBAGLBSA-N 0 0 322.311 3.472 20 10 DGCDRN CCN(CC)C(=O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756457992 621639653 /nfs/dbraw/zinc/63/96/53/621639653.db2.gz SOOGGNXGWVCGQA-VIFPVBQESA-N 0 0 319.232 3.218 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(F)c(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756456377 621639686 /nfs/dbraw/zinc/63/96/86/621639686.db2.gz MNGJHDDPLRVULE-VIFPVBQESA-N 0 0 308.284 3.429 20 10 DGCDRN C[C@@H]1C[C@H]([NH2+]CCCCn2ccnc2)c2c1c(F)ccc2O ZINC000756458245 621639689 /nfs/dbraw/zinc/63/96/89/621639689.db2.gz KQTADRPKFDZNAU-OCCSQVGLSA-N 0 0 303.381 3.346 20 10 DGCDRN Cc1cccc(OCC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000756458422 621639748 /nfs/dbraw/zinc/63/97/48/621639748.db2.gz WCNMLPJZDJNUJC-CYBMUJFWSA-N 0 0 316.357 3.338 20 10 DGCDRN C[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])N1CCC(C)CC1 ZINC000756504022 621642937 /nfs/dbraw/zinc/64/29/37/621642937.db2.gz OPZGFTBMIGOZHY-OLZOCXBDSA-N 0 0 312.404 3.441 20 10 DGCDRN Cc1cc(CNC(=O)C(C)(C)CO)c(C)n1-c1cccc(C)c1 ZINC000863161207 621643764 /nfs/dbraw/zinc/64/37/64/621643764.db2.gz AEQABDVADHLQMI-UHFFFAOYSA-N 0 0 314.429 3.037 20 10 DGCDRN COc1ccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1O ZINC000756523244 621644845 /nfs/dbraw/zinc/64/48/45/621644845.db2.gz BFYXUBLFGULZKD-SECBINFHSA-N 0 0 309.312 3.235 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CCCOC1)c1cc(Br)c(F)cc1[O-] ZINC000756554724 621647904 /nfs/dbraw/zinc/64/79/04/621647904.db2.gz JACHUVCVQJAORZ-BDAKNGLRSA-N 0 0 318.186 3.123 20 10 DGCDRN C[C@@H](O)CC[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756573918 621650242 /nfs/dbraw/zinc/65/02/42/621650242.db2.gz SZBKKUVMIWZDCE-HTQZYQBOSA-N 0 0 322.630 3.230 20 10 DGCDRN C[C@@H](O)CC[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756573920 621650399 /nfs/dbraw/zinc/65/03/99/621650399.db2.gz SZBKKUVMIWZDCE-SFYZADRCSA-N 0 0 322.630 3.230 20 10 DGCDRN Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756586435 621651195 /nfs/dbraw/zinc/65/11/95/621651195.db2.gz RRWDAFSPYDYNGS-PSLIRLAXSA-N 0 0 319.355 3.497 20 10 DGCDRN CC[C@H](COC)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756596168 621651807 /nfs/dbraw/zinc/65/18/07/621651807.db2.gz YGKXGFZZMXOGMQ-RKDXNWHRSA-N 0 0 320.202 3.369 20 10 DGCDRN C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c1cc(F)cc(F)c1[O-] ZINC000756603274 621652299 /nfs/dbraw/zinc/65/22/99/621652299.db2.gz AEHBZCCHJRSAFD-SECBINFHSA-N 0 0 301.333 3.053 20 10 DGCDRN C[C@H]([NH2+]CCCC(=O)OC(C)(C)C)c1cc(F)cc(F)c1[O-] ZINC000756629945 621653964 /nfs/dbraw/zinc/65/39/64/621653964.db2.gz SRNUINWUZNXKCI-JTQLQIEISA-N 0 0 315.360 3.443 20 10 DGCDRN CCO[C@H](CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000756631034 621654006 /nfs/dbraw/zinc/65/40/06/621654006.db2.gz XDTPXIJZOBAVJI-MLGOLLRUSA-N 0 0 310.394 3.402 20 10 DGCDRN CCO[C@H](CC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-])C(C)C ZINC000756629306 621654076 /nfs/dbraw/zinc/65/40/76/621654076.db2.gz PFVMLLKYOBTXKG-CXAGYDPISA-N 0 0 323.433 3.281 20 10 DGCDRN C[C@H]([NH2+]Cc1csc(N(C)C)n1)c1cc(F)cc(F)c1[O-] ZINC000756635682 621654509 /nfs/dbraw/zinc/65/45/09/621654509.db2.gz GYZXBXKMCSMTEI-QMMMGPOBSA-N 0 0 313.373 3.044 20 10 DGCDRN C[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccncc1 ZINC000756633238 621654615 /nfs/dbraw/zinc/65/46/15/621654615.db2.gz GUYPLBAMPLLNGJ-RYUDHWBXSA-N 0 0 301.346 3.150 20 10 DGCDRN Cc1cccc(-c2noc(CN(C)c3ccc4c(c3)OCO4)n2)c1 ZINC000756655463 621656687 /nfs/dbraw/zinc/65/66/87/621656687.db2.gz VNXHJQXFIZXVAJ-UHFFFAOYSA-N 0 0 323.352 3.410 20 10 DGCDRN C[C@@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1cc(F)cc(F)c1[O-] ZINC000756713026 621659487 /nfs/dbraw/zinc/65/94/87/621659487.db2.gz SNGYICKWAUVLAZ-PSLIRLAXSA-N 0 0 311.303 3.194 20 10 DGCDRN COc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(F)c1 ZINC000756756286 621662166 /nfs/dbraw/zinc/66/21/66/621662166.db2.gz HCVZXUODFLPNDI-JTQLQIEISA-N 0 0 320.320 3.299 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756757920 621662531 /nfs/dbraw/zinc/66/25/31/621662531.db2.gz DAGZSCJAORNDQK-NVGCLXPQSA-N 0 0 321.367 3.313 20 10 DGCDRN C[C@H]([NH2+]CCC[C@H]1CCCC[C@@H]1O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756758444 621662969 /nfs/dbraw/zinc/66/29/69/621662969.db2.gz GUAYQSMRKKOWCB-ZENOOKHLSA-N 0 0 322.405 3.282 20 10 DGCDRN C[C@@H]([NH2+][C@H](c1cccnc1)C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756786052 621664345 /nfs/dbraw/zinc/66/43/45/621664345.db2.gz WYSPXGBOCUJRHD-DIFFPNOSSA-N 0 0 313.357 3.497 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCc2sccc2C)c1 ZINC000756788960 621664929 /nfs/dbraw/zinc/66/49/29/621664929.db2.gz ZLBJWKVRYPMKSV-LBPRGKRZSA-N 0 0 319.426 3.442 20 10 DGCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2ccc(F)cc2OC)c1 ZINC000756791916 621664978 /nfs/dbraw/zinc/66/49/78/621664978.db2.gz HBNMHTWCBUMABC-JTQLQIEISA-N 0 0 319.332 3.500 20 10 DGCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2cccc(OC)c2)c1 ZINC000756796574 621665364 /nfs/dbraw/zinc/66/53/64/621665364.db2.gz RNULPPXQKDYILS-LLVKDONJSA-N 0 0 301.342 3.361 20 10 DGCDRN C[C@H](Nc1cnn(CC(F)F)c1)c1cc(F)cc(F)c1O ZINC000756843406 621667564 /nfs/dbraw/zinc/66/75/64/621667564.db2.gz DXLKBMCIXRQXSQ-ZETCQYMHSA-N 0 0 303.259 3.305 20 10 DGCDRN CC[C@@H]1CC[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)O1 ZINC000756923026 621673203 /nfs/dbraw/zinc/67/32/03/621673203.db2.gz BJZVCEDHPLZANT-MSOLQXFVSA-N 0 0 316.445 3.251 20 10 DGCDRN CCN(C)c1ccc(C[N@H+]2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)cc1 ZINC000863476327 621676660 /nfs/dbraw/zinc/67/66/60/621676660.db2.gz AHHOLXQNJPTZPB-MIFYACCESA-N 0 0 304.434 3.216 20 10 DGCDRN CCN(CC)c1ccc(C[N@H+](C)[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000863528014 621680899 /nfs/dbraw/zinc/68/08/99/621680899.db2.gz PYZRUBJEMYHEQE-KRWDZBQOSA-N 0 0 306.450 3.464 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CC[C@@H](C)NC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000863544771 621682594 /nfs/dbraw/zinc/68/25/94/621682594.db2.gz AQHCDSIKWIQGHJ-KXUCPTDWSA-N 0 0 303.233 3.490 20 10 DGCDRN CC(C)CO[C@@H](C)c1noc(CN(C)c2ccc(N)cc2)n1 ZINC000863558677 621683659 /nfs/dbraw/zinc/68/36/59/621683659.db2.gz SKELTIJVBIGOCP-LBPRGKRZSA-N 0 0 304.394 3.022 20 10 DGCDRN CCN(CCCO)C(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000757198581 621692465 /nfs/dbraw/zinc/69/24/65/621692465.db2.gz IFMHYPBBUCFUQF-UHFFFAOYSA-N 0 0 314.429 3.247 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCCC[C@H]2C)c1 ZINC000103506190 621697831 /nfs/dbraw/zinc/69/78/31/621697831.db2.gz HZJBEQANPNSTMK-TYNCELHUSA-N 0 0 306.406 3.340 20 10 DGCDRN COc1cc2c(c(OC)c1)N(Cc1cncc(F)c1)CCC2 ZINC000839656808 621704847 /nfs/dbraw/zinc/70/48/47/621704847.db2.gz SYZNCKQJEHQYAG-UHFFFAOYSA-N 0 0 302.349 3.191 20 10 DGCDRN CCc1cnc(CN2CCCc3cc(OC)cc(OC)c32)o1 ZINC000839656662 621705017 /nfs/dbraw/zinc/70/50/17/621705017.db2.gz QRACGMQZALVMAA-UHFFFAOYSA-N 0 0 302.374 3.207 20 10 DGCDRN C[C@@H](NC(=O)c1cccc2ncn(C)c21)c1ccc(N(C)C)cc1 ZINC000863905595 621717859 /nfs/dbraw/zinc/71/78/59/621717859.db2.gz IVPFFDWAIHNLFQ-CYBMUJFWSA-N 0 0 322.412 3.130 20 10 DGCDRN CCCCCCO[C@@H](C)C(=O)NCc1ccc(OC)cc1O ZINC000839747547 621719919 /nfs/dbraw/zinc/71/99/19/621719919.db2.gz JPYZGFQUPMSXSX-ZDUSSCGKSA-N 0 0 309.406 3.002 20 10 DGCDRN C[C@H](Nc1cccc([C@H]2CNC(=O)C2)c1)c1ccc(F)cc1O ZINC000757619077 621729016 /nfs/dbraw/zinc/72/90/16/621729016.db2.gz KJXQLDIWIPQJRV-WCQYABFASA-N 0 0 314.360 3.308 20 10 DGCDRN Cc1ccc([C@@H](C)Nc2cccc([C@H]3CNC(=O)C3)c2)c(O)c1 ZINC000757619055 621729055 /nfs/dbraw/zinc/72/90/55/621729055.db2.gz KDWPHTDXSDTKBX-UKRRQHHQSA-N 0 0 310.397 3.477 20 10 DGCDRN Cc1ccc(O)c([C@@H](C)Nc2cccc([C@H]3CNC(=O)C3)c2)c1 ZINC000757619539 621729058 /nfs/dbraw/zinc/72/90/58/621729058.db2.gz QMSVZYHBAAQLLK-UKRRQHHQSA-N 0 0 310.397 3.477 20 10 DGCDRN C[C@@H](Nc1cccc([C@H]2CNC(=O)C2)c1)c1ccc(F)cc1O ZINC000757619074 621729059 /nfs/dbraw/zinc/72/90/59/621729059.db2.gz KJXQLDIWIPQJRV-DGCLKSJQSA-N 0 0 314.360 3.308 20 10 DGCDRN CN(C)c1ccc(OCC(=O)N(C2CC2)C2CCCC2)cc1 ZINC000757718863 621735863 /nfs/dbraw/zinc/73/58/63/621735863.db2.gz ZJJXUGRSKJUUOW-UHFFFAOYSA-N 0 0 302.418 3.065 20 10 DGCDRN C[N@H+](Cc1ccccn1)Cc1cccc(Br)c1[O-] ZINC000757889906 621745167 /nfs/dbraw/zinc/74/51/67/621745167.db2.gz MALQVPBSHRVIFI-UHFFFAOYSA-N 0 0 307.191 3.182 20 10 DGCDRN CCCN(CC(=O)OC(C)(C)C)Cc1ccc(OCC)cc1O ZINC000758031129 621754585 /nfs/dbraw/zinc/75/45/85/621754585.db2.gz UYMNIXOMSDLXIO-UHFFFAOYSA-N 0 0 323.433 3.345 20 10 DGCDRN CC(=O)Nc1cccc(/C=C2/SC(=S)N(C3CC3)C2=O)c1 ZINC000864354707 621759749 /nfs/dbraw/zinc/75/97/49/621759749.db2.gz ACIFIIWFMQUFRW-MDWZMJQESA-N 0 0 318.423 3.009 20 10 DGCDRN COc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1OC1CC1 ZINC000864355795 621759915 /nfs/dbraw/zinc/75/99/15/621759915.db2.gz KPHKEPYRDZUVOE-JYRVWZFOSA-N 0 0 321.423 3.067 20 10 DGCDRN Cc1cccc(S(=O)(=O)Nc2ccc(O)cc2F)c1Cl ZINC000758168747 621762825 /nfs/dbraw/zinc/76/28/25/621762825.db2.gz FKKJNRUEZKCPGG-UHFFFAOYSA-N 0 0 315.753 3.294 20 10 DGCDRN CCOC(=O)c1ccc(NCc2ccc(N(C)C)c(F)c2)cn1 ZINC000758450541 621783150 /nfs/dbraw/zinc/78/31/50/621783150.db2.gz UANNYKMQVDVEDS-UHFFFAOYSA-N 0 0 317.364 3.076 20 10 DGCDRN CCOc1cc(C)ccc1NCc1cc2c(cc1O)OCO2 ZINC000120138949 621791102 /nfs/dbraw/zinc/79/11/02/621791102.db2.gz LFMDCFRBHXHCMA-UHFFFAOYSA-N 0 0 301.342 3.440 20 10 DGCDRN CCOC(C)(C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000864637041 621795224 /nfs/dbraw/zinc/79/52/24/621795224.db2.gz GTJCXGSEVMBTFI-UHFFFAOYSA-N 0 0 318.461 3.450 20 10 DGCDRN Fc1cc(F)cc(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000120167903 621799140 /nfs/dbraw/zinc/79/91/40/621799140.db2.gz PXTBWIDGZLAOPP-UHFFFAOYSA-N 0 0 304.340 3.414 20 10 DGCDRN CCOC1CC(C(=O)NCc2ccc(N3CCCCC3)cc2)C1 ZINC000805172266 621806832 /nfs/dbraw/zinc/80/68/32/621806832.db2.gz USPOHFYHRLJEGA-UHFFFAOYSA-N 0 0 316.445 3.108 20 10 DGCDRN CC/C=C(\F)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000864919241 621830422 /nfs/dbraw/zinc/83/04/22/621830422.db2.gz SGSXTVNMALTLAV-CQPUUCJISA-N 0 0 308.422 3.119 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1CC12CCCC2)c1ccc(N(C)C)cc1 ZINC000759166415 621831621 /nfs/dbraw/zinc/83/16/21/621831621.db2.gz JKSDGSBBDHYWKU-BBRMVZONSA-N 0 0 301.434 3.446 20 10 DGCDRN COC(=O)c1ccc(CN2CCc3cc(OC)ccc32)c(F)c1 ZINC000759184126 621833001 /nfs/dbraw/zinc/83/30/01/621833001.db2.gz QKLZLAVOQKGXKF-UHFFFAOYSA-N 0 0 315.344 3.184 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C=O)s1 ZINC000865027641 621848167 /nfs/dbraw/zinc/84/81/67/621848167.db2.gz YKKWZNPQWNWCLK-UHFFFAOYSA-N 0 0 316.426 3.289 20 10 DGCDRN C[C@@H]1C[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)[C@@H](C)O1 ZINC000865030630 621848490 /nfs/dbraw/zinc/84/84/90/621848490.db2.gz BCAZJRRYDAHIJU-RKVPGOIHSA-N 0 0 316.445 3.107 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCc1ccc2ccccc2n1 ZINC000759590946 621873766 /nfs/dbraw/zinc/87/37/66/621873766.db2.gz YJAKNDLIMCWOFC-POHAHGRESA-N 0 0 321.332 3.403 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCCCc1ccsc1 ZINC000759593037 621873869 /nfs/dbraw/zinc/87/38/69/621873869.db2.gz IIZPNAHNJNJFCR-XQRVVYSFSA-N 0 0 304.367 3.349 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCCOC1CCCCCC1 ZINC000759596652 621874264 /nfs/dbraw/zinc/87/42/64/621874264.db2.gz PBWZIAJJFARIES-CSKARUKUSA-N 0 0 320.385 3.394 20 10 DGCDRN CC[C@@H]1C[C@H](C)CN1C(=O)NCCCSc1nccs1 ZINC000759602495 621874583 /nfs/dbraw/zinc/87/45/83/621874583.db2.gz VYNAKAULFNUVFB-NWDGAFQWSA-N 0 0 313.492 3.455 20 10 DGCDRN CCOc1ccc(O)c(CN2CCOc3cc(F)ccc32)c1 ZINC000789571283 625525589 /nfs/dbraw/zinc/52/55/89/625525589.db2.gz MLYUYEWSTRHSNN-UHFFFAOYSA-N 0 0 303.333 3.329 20 10 DGCDRN C[C@H]([NH2+][C@@H](CO)CC(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000760049494 621912933 /nfs/dbraw/zinc/91/29/33/621912933.db2.gz GLTOZTSXLBTOGS-NKWVEPMBSA-N 0 0 314.159 3.366 20 10 DGCDRN C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc[nH]1 ZINC000760305113 621929695 /nfs/dbraw/zinc/92/96/95/621929695.db2.gz AHMDKOQKMQBDNE-CQSZACIVSA-N 0 0 312.417 3.175 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)C1=CCCC1 ZINC000760593904 621953060 /nfs/dbraw/zinc/95/30/60/621953060.db2.gz GMYGXHIHWMGWKD-UHFFFAOYSA-N 0 0 304.353 3.445 20 10 DGCDRN C[C@H](O)c1ccc(N2CC=C(c3ccc(Cl)nc3)CC2)nc1 ZINC000865658226 621973144 /nfs/dbraw/zinc/97/31/44/621973144.db2.gz YTLSTBYURGFBFR-LBPRGKRZSA-N 0 0 315.804 3.477 20 10 DGCDRN CSc1cccc(N(C)Cc2cc3c(cc2O)OCO3)c1 ZINC000761221388 621995344 /nfs/dbraw/zinc/99/53/44/621995344.db2.gz LLMGNFIPWFGECW-UHFFFAOYSA-N 0 0 303.383 3.479 20 10 DGCDRN COc1ccc(N(C)Cc2cnc3ccc(C)cn23)cc1OC ZINC000761222230 621995811 /nfs/dbraw/zinc/99/58/11/621995811.db2.gz RNQYWWXNIJQEBR-UHFFFAOYSA-N 0 0 311.385 3.296 20 10 DGCDRN Cc1cc(O)c(CNCc2nn(C)cc2C(F)F)c(Cl)c1 ZINC000865807616 621998890 /nfs/dbraw/zinc/99/88/90/621998890.db2.gz NWTKBKFELMPZKB-UHFFFAOYSA-N 0 0 315.751 3.315 20 10 DGCDRN CCCCC[C@@H]1NC(=O)N(Cc2ccc(N(C)C)cc2C)C1=O ZINC000761360063 622003408 /nfs/dbraw/zinc/00/34/08/622003408.db2.gz WEDIHUPIIVYZIE-INIZCTEOSA-N 0 0 317.433 3.062 20 10 DGCDRN CCC[C@H](O)CCCSc1ncc(C(=O)OCC)s1 ZINC000866033063 622035441 /nfs/dbraw/zinc/03/54/41/622035441.db2.gz KINRFXQLIRNVKV-JTQLQIEISA-N 0 0 303.449 3.353 20 10 DGCDRN CCCCc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000762268644 622067189 /nfs/dbraw/zinc/06/71/89/622067189.db2.gz PNMMZDNUQOEOEY-UHFFFAOYSA-N 0 0 313.397 3.413 20 10 DGCDRN COc1ccc(C[C@@H](C)CN(C)C(=O)C2=CC(=O)CS2)cc1 ZINC000762287439 622067684 /nfs/dbraw/zinc/06/76/84/622067684.db2.gz LGFYFXATBPZYKC-GFCCVEGCSA-N 0 0 319.426 3.413 20 10 DGCDRN O=C(NCC1(c2ccc(F)cc2F)CC1)C1=CC(=O)CS1 ZINC000762359098 622070506 /nfs/dbraw/zinc/07/05/06/622070506.db2.gz GUHKDRNFLVXKAD-UHFFFAOYSA-N 0 0 309.337 3.194 20 10 DGCDRN Oc1c(Br)cccc1CNc1ccc(C2CC2)nn1 ZINC000762660082 622089965 /nfs/dbraw/zinc/08/99/65/622089965.db2.gz VWXRZJCHSIVSHH-UHFFFAOYSA-N 0 0 320.190 3.434 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)C=C(C2CC2)C2CC2)c1 ZINC000762804820 622100058 /nfs/dbraw/zinc/10/00/58/622100058.db2.gz JVVJMTBACWQSRX-NSHDSACASA-N 0 0 301.386 3.324 20 10 DGCDRN COc1ccccc1C/C(C)=C\C(=O)NCc1ccccc1O ZINC000762808050 622100556 /nfs/dbraw/zinc/10/05/56/622100556.db2.gz LUXJJQQFKALZGQ-OWBHPGMISA-N 0 0 311.381 3.206 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Nc1scnc1C1CC1 ZINC000762973182 622113798 /nfs/dbraw/zinc/11/37/98/622113798.db2.gz JSVWMXAWESOIDB-UHFFFAOYSA-N 0 0 303.387 3.390 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC[C@@H]2CCCS2)c1 ZINC000866481747 622125193 /nfs/dbraw/zinc/12/51/93/622125193.db2.gz VRJZTGYQKAGQTK-YPMHNXCESA-N 0 0 309.431 3.115 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)OCCC(F)(F)F ZINC000866484704 622125909 /nfs/dbraw/zinc/12/59/09/622125909.db2.gz ATIBGGYVCNVYHQ-UHFFFAOYSA-N 0 0 316.323 3.465 20 10 DGCDRN C[C@H]([NH2+]CCc1cn(C)c2ncccc12)c1cc(F)ccc1O ZINC000866574707 622141287 /nfs/dbraw/zinc/14/12/87/622141287.db2.gz ZNTRGWIKPVFZMY-LBPRGKRZSA-N 0 0 313.376 3.311 20 10 DGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)OC1CCCCC1 ZINC000866582648 622142227 /nfs/dbraw/zinc/14/22/27/622142227.db2.gz LUCIPVUQGIVSRU-UHFFFAOYSA-N 0 0 318.417 3.082 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cnc(F)cc1C ZINC000866598462 622144539 /nfs/dbraw/zinc/14/45/39/622144539.db2.gz DFIFPGMXRBKQOK-UHFFFAOYSA-N 0 0 302.349 3.287 20 10 DGCDRN C[C@H]([NH2+]Cc1cc2c([nH]c1=O)CCCC2)c1ccc(F)cc1[O-] ZINC000866640658 622152348 /nfs/dbraw/zinc/15/23/48/622152348.db2.gz IEKXHERBZSZPMJ-NSHDSACASA-N 0 0 316.376 3.362 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CCC(F)(F)C1 ZINC000763708666 622159035 /nfs/dbraw/zinc/15/90/35/622159035.db2.gz QUAKTQQFQVXGPH-GFCCVEGCSA-N 0 0 324.371 3.258 20 10 DGCDRN O=C(NCc1ccccc1O)c1ccc(C2CCOCC2)cc1 ZINC000866756153 622162771 /nfs/dbraw/zinc/16/27/71/622162771.db2.gz QVRFMGFGMVCZSW-UHFFFAOYSA-N 0 0 311.381 3.216 20 10 DGCDRN CCOCCCCCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000866770893 622163301 /nfs/dbraw/zinc/16/33/01/622163301.db2.gz IEYQZJJXUBGJCR-UHFFFAOYSA-N 0 0 319.445 3.484 20 10 DGCDRN CC(C)OC(=O)[C@@H](C)N(C)Cc1c(O)ccc2ccccc21 ZINC000121606231 622166549 /nfs/dbraw/zinc/16/65/49/622166549.db2.gz YIJUOFWMPQTJRY-CYBMUJFWSA-N 0 0 301.386 3.317 20 10 DGCDRN CC(C)n1cccc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000764012287 622174838 /nfs/dbraw/zinc/17/48/38/622174838.db2.gz VZCFECVDOYVDAI-UHFFFAOYSA-N 0 0 311.429 3.381 20 10 DGCDRN CCCC1(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000121820159 622184213 /nfs/dbraw/zinc/18/42/13/622184213.db2.gz ZDHLVRUSLVNSCJ-UHFFFAOYSA-N 0 0 313.445 3.442 20 10 DGCDRN COc1ccc(N(C)C[C@H](O)COc2ccccc2C)cc1F ZINC000121829357 622184285 /nfs/dbraw/zinc/18/42/85/622184285.db2.gz CPSUJVHNBDSYLB-HNNXBMFYSA-N 0 0 319.376 3.019 20 10 DGCDRN C[C@H](NC(=O)NCCCOc1ccccc1)c1ccccc1O ZINC000868033022 622207038 /nfs/dbraw/zinc/20/70/38/622207038.db2.gz ZHPVDEGJYXSBLD-AWEZNQCLSA-N 0 0 314.385 3.222 20 10 DGCDRN C[C@H](NC(=O)NCCO[C@H]1CCCC[C@H]1C)c1ccccc1O ZINC000868103158 622214255 /nfs/dbraw/zinc/21/42/55/622214255.db2.gz GDVYCTFSYRNHCN-KEYYUXOJSA-N 0 0 320.433 3.348 20 10 DGCDRN C[C@@H](CCc1cccn1C)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868317400 622233731 /nfs/dbraw/zinc/23/37/31/622233731.db2.gz IFLRBIRXDOPKQI-KBPBESRZSA-N 0 0 315.417 3.112 20 10 DGCDRN CCc1cnc(CCNC(=O)N[C@@H](C)c2ccccc2O)s1 ZINC000868323358 622234733 /nfs/dbraw/zinc/23/47/33/622234733.db2.gz HSWXOOMSQLNBFC-NSHDSACASA-N 0 0 319.430 3.014 20 10 DGCDRN CCO[C@H](CCNC(=O)N[C@@H](C)c1ccccc1O)C(C)C ZINC000868328502 622235279 /nfs/dbraw/zinc/23/52/79/622235279.db2.gz HEFKWUYKDDRPGW-XJKSGUPXSA-N 0 0 308.422 3.204 20 10 DGCDRN Cc1ccc2c(c1)[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)CO2 ZINC000868410941 622241644 /nfs/dbraw/zinc/24/16/44/622241644.db2.gz QTAHKZZPPXTMAQ-WFASDCNBSA-N 0 0 312.369 3.195 20 10 DGCDRN COc1cc(C)cc(CNC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000868431466 622243832 /nfs/dbraw/zinc/24/38/32/622243832.db2.gz PGXHOZANARAHPI-ZDUSSCGKSA-N 0 0 314.385 3.270 20 10 DGCDRN Cc1csc([C@H](C)CNC(=O)N[C@@H](C)c2ccccc2O)n1 ZINC000868496104 622249997 /nfs/dbraw/zinc/24/99/97/622249997.db2.gz CUWWOBWAMPZLAP-PWSUYJOCSA-N 0 0 319.430 3.321 20 10 DGCDRN C[C@H](CNC(=O)N[C@@H](C)c1ccccc1O)c1nccs1 ZINC000868498119 622250562 /nfs/dbraw/zinc/25/05/62/622250562.db2.gz IYJWYFBRFPNIPJ-MNOVXSKESA-N 0 0 305.403 3.013 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1C[C@H]1C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000868515941 622253325 /nfs/dbraw/zinc/25/33/25/622253325.db2.gz XIHHGOXROJYBDI-ZWKOPEQDSA-N 0 0 315.339 3.064 20 10 DGCDRN COc1ccc(O)c([C@H](C)Nc2ncncc2Br)c1 ZINC000765489079 622267982 /nfs/dbraw/zinc/26/79/82/622267982.db2.gz KUAMONVPHBFZEC-QMMMGPOBSA-N 0 0 324.178 3.126 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC2CCC3(CC3)CC2)c1 ZINC000765587986 622274853 /nfs/dbraw/zinc/27/48/53/622274853.db2.gz XNADVBGSGDGAGJ-LBPRGKRZSA-N 0 0 318.417 3.484 20 10 DGCDRN C[C@@H](NC(=O)NCC(C)(C)c1cccnc1)c1ccccc1O ZINC000868710331 622276036 /nfs/dbraw/zinc/27/60/36/622276036.db2.gz KKGOHJKJPNQBNI-CYBMUJFWSA-N 0 0 313.401 3.125 20 10 DGCDRN Cc1cc(C)cc(CN(C)C(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000765637030 622278800 /nfs/dbraw/zinc/27/88/00/622278800.db2.gz PHUJPKGJPHBICZ-ALCCZGGFSA-N 0 0 311.381 3.386 20 10 DGCDRN C[C@@H](NC(=O)NCC[C@@]1(C)C[C@]1(F)Cl)c1ccccc1O ZINC000868742853 622279703 /nfs/dbraw/zinc/27/97/03/622279703.db2.gz DSSMXMDXTMCUMU-WKPIXPDZSA-N 0 0 314.788 3.457 20 10 DGCDRN Cc1ccc2ncc(CN3CCOc4cc(N(C)C)ccc43)n2c1 ZINC000765654156 622279871 /nfs/dbraw/zinc/27/98/71/622279871.db2.gz GAENVVPRLHBQPF-UHFFFAOYSA-N 0 0 322.412 3.108 20 10 DGCDRN COC[C@@H](CC(C)(C)C)NC(=O)N[C@H](C)c1ccccc1O ZINC000868752529 622281115 /nfs/dbraw/zinc/28/11/15/622281115.db2.gz POCJLYRQPXXYOS-CHWSQXEVSA-N 0 0 308.422 3.204 20 10 DGCDRN C[C@@H](C(=O)NCc1cccc(Br)c1O)c1ccco1 ZINC000765732043 622284318 /nfs/dbraw/zinc/28/43/18/622284318.db2.gz OTOZMOLKEABITM-SECBINFHSA-N 0 0 324.174 3.168 20 10 DGCDRN O=C(NCc1cccc(Br)c1O)c1ccccc1 ZINC000765756876 622285375 /nfs/dbraw/zinc/28/53/75/622285375.db2.gz NRJUCICUYDIZRS-UHFFFAOYSA-N 0 0 306.159 3.085 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCCC23CC3)c1 ZINC000868845391 622292000 /nfs/dbraw/zinc/29/20/00/622292000.db2.gz VCSWFNFPALOFPO-ABAIWWIYSA-N 0 0 304.390 3.094 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCCC23CC3)c1 ZINC000868845392 622292082 /nfs/dbraw/zinc/29/20/82/622292082.db2.gz VCSWFNFPALOFPO-IAQYHMDHSA-N 0 0 304.390 3.094 20 10 DGCDRN C[C@H](c1ccsc1)N1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000765865933 622292411 /nfs/dbraw/zinc/29/24/11/622292411.db2.gz OHKYGEJZJYQXLL-LLVKDONJSA-N 0 0 322.455 3.034 20 10 DGCDRN Cc1ncc([C@H](C)NC(=O)N[C@@H](C)c2ccccc2O)s1 ZINC000868934944 622301366 /nfs/dbraw/zinc/30/13/66/622301366.db2.gz YOUYOLZXWRANNF-UWVGGRQHSA-N 0 0 305.403 3.279 20 10 DGCDRN Oc1ccccc1CNc1nccnc1NCc1ccccc1O ZINC000766063847 622303042 /nfs/dbraw/zinc/30/30/42/622303042.db2.gz DBDGXLGJCZGVGV-UHFFFAOYSA-N 0 0 322.368 3.112 20 10 DGCDRN COc1ccc(CNC(=S)Nc2ccccc2Cl)nc1 ZINC000766512590 622335375 /nfs/dbraw/zinc/33/53/75/622335375.db2.gz NYBRQHQQFUPKLH-UHFFFAOYSA-N 0 0 307.806 3.230 20 10 DGCDRN CCc1ccc(NC(=S)NCc2ccc(OC)cn2)cc1 ZINC000766516589 622335926 /nfs/dbraw/zinc/33/59/26/622335926.db2.gz JHFLKPOWXWMAIM-UHFFFAOYSA-N 0 0 301.415 3.139 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)CC(F)(F)F ZINC000766656906 622344723 /nfs/dbraw/zinc/34/47/23/622344723.db2.gz HFXFFHLXUYSXPF-NSHDSACASA-N 0 0 317.355 3.201 20 10 DGCDRN CCc1ccc([C@@H](C)C(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000122627893 622367389 /nfs/dbraw/zinc/36/73/89/622367389.db2.gz NOJAFGJCWKCHGX-CYBMUJFWSA-N 0 0 313.397 3.123 20 10 DGCDRN Cc1nc(NC(=O)NCc2c(O)ccc3c2CCCC3)cs1 ZINC000767124539 622377087 /nfs/dbraw/zinc/37/70/87/622377087.db2.gz ALIUCXMGTCIKGA-UHFFFAOYSA-N 0 0 317.414 3.358 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2csc(C)n2)c1 ZINC000767131171 622377423 /nfs/dbraw/zinc/37/74/23/622377423.db2.gz LCJQUZLCECXPNP-QMMMGPOBSA-N 0 0 307.375 3.048 20 10 DGCDRN Cc1csc(CCC(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000767477999 622401451 /nfs/dbraw/zinc/40/14/51/622401451.db2.gz MUTDJXAUFHGNJJ-UHFFFAOYSA-N 0 0 317.458 3.109 20 10 DGCDRN Oc1c(F)cc(Cl)cc1CN1C[C@@H](O)Cc2ccccc21 ZINC000789761931 625563938 /nfs/dbraw/zinc/56/39/38/625563938.db2.gz MOXJROFFFQZLKG-ZDUSSCGKSA-N 0 0 307.752 3.108 20 10 DGCDRN Cc1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)ns1 ZINC000767757424 622420102 /nfs/dbraw/zinc/42/01/02/622420102.db2.gz ZWPLCZBAASCSOJ-UHFFFAOYSA-N 0 0 315.442 3.372 20 10 DGCDRN Cc1cc(C(=O)NC2(CO)CCC2)c(C)n1-c1cccc(C)c1 ZINC000767891900 622426452 /nfs/dbraw/zinc/42/64/52/622426452.db2.gz WERSYPBYMWUPIN-UHFFFAOYSA-N 0 0 312.413 3.047 20 10 DGCDRN Cc1ccc(OCCCC(=O)NCc2ccccc2O)c(C)c1 ZINC000767926071 622428708 /nfs/dbraw/zinc/42/87/08/622428708.db2.gz IYBXWGBSNJUEHT-UHFFFAOYSA-N 0 0 313.397 3.484 20 10 DGCDRN Cc1ccc(C)c(N2CCN(C(=O)C3=CC(=O)CS3)CC2)c1 ZINC000768289142 622448929 /nfs/dbraw/zinc/44/89/29/622448929.db2.gz OHUORHVJIGCZOE-UHFFFAOYSA-N 0 0 316.426 3.033 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCC(Cc2nccs2)CC1 ZINC000870265648 622449142 /nfs/dbraw/zinc/44/91/42/622449142.db2.gz JPUKPFSDYFWEIJ-UHFFFAOYSA-N 0 0 308.428 3.005 20 10 DGCDRN CCOc1ccc(CN(C)Cc2nccn2C(F)F)c(O)c1 ZINC000768349886 622451714 /nfs/dbraw/zinc/45/17/14/622451714.db2.gz OTDIGALZOFQFJO-UHFFFAOYSA-N 0 0 311.332 3.015 20 10 DGCDRN C[C@]1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCO[C@H]1C1CC1 ZINC000768540592 622463442 /nfs/dbraw/zinc/46/34/42/622463442.db2.gz JMOJNWIXWOTSSZ-JKSUJKDBSA-N 0 0 313.800 3.480 20 10 DGCDRN Cc1nc(CC2CC2)sc1C(=O)NCc1ccccc1O ZINC000789815784 625568759 /nfs/dbraw/zinc/56/87/59/625568759.db2.gz HRIXGOIKQQQYFR-UHFFFAOYSA-N 0 0 302.399 3.040 20 10 DGCDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)N[C@@H]1CNC(=O)C1 ZINC000789833872 625568936 /nfs/dbraw/zinc/56/89/36/625568936.db2.gz NWKRFJDTOUZMIO-HNNXBMFYSA-N 0 0 323.356 3.112 20 10 DGCDRN C[C@@H]1C[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H](C)S1 ZINC000769140205 622501607 /nfs/dbraw/zinc/50/16/07/622501607.db2.gz DNVCAWIFGXNUTC-RKDXNWHRSA-N 0 0 316.810 3.280 20 10 DGCDRN CCOc1ccc(CN2CCCC[C@@H]2c2ncc[nH]2)c(O)c1 ZINC000769211674 622508413 /nfs/dbraw/zinc/50/84/13/622508413.db2.gz YZVDEPBJZPFCQD-OAHLLOKOSA-N 0 0 301.390 3.241 20 10 DGCDRN COc1cccc(O)c1CN1CCO[C@@H](c2cccc(F)c2)C1 ZINC000769306817 622516301 /nfs/dbraw/zinc/51/63/01/622516301.db2.gz CTPCZRDZFBLTLL-GOSISDBHSA-N 0 0 317.360 3.113 20 10 DGCDRN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCN(C2CC2)C1 ZINC000769325893 622517604 /nfs/dbraw/zinc/51/76/04/622517604.db2.gz CKVBCYGKJZZZPK-ZDUSSCGKSA-N 0 0 315.244 3.368 20 10 DGCDRN C[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@@H](C(F)(F)F)O1 ZINC000769497556 622534111 /nfs/dbraw/zinc/53/41/11/622534111.db2.gz QZAPBZQQNISMCA-HZMBPMFUSA-N 0 0 320.330 3.043 20 10 DGCDRN CC(C)(C)OC(=O)[C@H]1CCCN1Cc1cc(Cl)ccc1O ZINC000769498731 622534389 /nfs/dbraw/zinc/53/43/89/622534389.db2.gz PHMRGRIYPBNINL-CYBMUJFWSA-N 0 0 311.809 3.352 20 10 DGCDRN CC[C@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)c1ncc[nH]1 ZINC000769668753 622548705 /nfs/dbraw/zinc/54/87/05/622548705.db2.gz CCLDQOOMMYFVCP-HNNXBMFYSA-N 0 0 323.400 3.093 20 10 DGCDRN Cc1cccc(C)c1OCCC(=O)N1Cc2cccc(O)c2C1 ZINC000871198260 622566004 /nfs/dbraw/zinc/56/60/04/622566004.db2.gz FBRYLDSTVUVBCZ-UHFFFAOYSA-N 0 0 311.381 3.320 20 10 DGCDRN CC(C)(C)c1ncsc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871203725 622567408 /nfs/dbraw/zinc/56/74/08/622567408.db2.gz RECRXEOJAYTVRY-UHFFFAOYSA-N 0 0 302.399 3.302 20 10 DGCDRN COc1ccccc1[C@@H](C)CC(=O)N1Cc2cccc(O)c2C1 ZINC000871203033 622567423 /nfs/dbraw/zinc/56/74/23/622567423.db2.gz PXRLJEDEFKZIEJ-ZDUSSCGKSA-N 0 0 311.381 3.437 20 10 DGCDRN COc1cccc([C@H](C)CC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871202578 622567445 /nfs/dbraw/zinc/56/74/45/622567445.db2.gz BDUJLUQVUIAEHW-CYBMUJFWSA-N 0 0 311.381 3.437 20 10 DGCDRN CCSc1cccnc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871205731 622567981 /nfs/dbraw/zinc/56/79/81/622567981.db2.gz KLNWKSVFMOQMSG-UHFFFAOYSA-N 0 0 300.383 3.055 20 10 DGCDRN O=C([O-])C1([NH2+]Cc2ccc(N3CCCCC3)cc2)CCCC1 ZINC000789897388 625577678 /nfs/dbraw/zinc/57/76/78/625577678.db2.gz HZWVOVIGMQWZMZ-UHFFFAOYSA-N 0 0 302.418 3.164 20 10 DGCDRN COC(C)(C)CCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000871253028 622578362 /nfs/dbraw/zinc/57/83/62/622578362.db2.gz HWQYDBVDIBCFPZ-UHFFFAOYSA-N 0 0 315.417 3.034 20 10 DGCDRN CC(C)(C)c1ncc(/C=C/C(=O)N2CCc3ncccc32)s1 ZINC000770226588 622614616 /nfs/dbraw/zinc/61/46/16/622614616.db2.gz CEIKQSQIBDETNV-VOTSOKGWSA-N 0 0 313.426 3.438 20 10 DGCDRN CC(C)(C)c1ncc(/C=C\C(=O)N2CCc3ncccc32)s1 ZINC000770226585 622614692 /nfs/dbraw/zinc/61/46/92/622614692.db2.gz CEIKQSQIBDETNV-SREVYHEPSA-N 0 0 313.426 3.438 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cccnc2C(F)F)cc1F ZINC000888577047 622623713 /nfs/dbraw/zinc/62/37/13/622623713.db2.gz RGABMJDWIDBSAC-UHFFFAOYSA-N 0 0 323.318 3.154 20 10 DGCDRN COc1cccc(O)c1CN1CCc2ccc(F)c(F)c2C1 ZINC000770355370 622624402 /nfs/dbraw/zinc/62/44/02/622624402.db2.gz MLCDPBKFXSOBFJ-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN CCOc1cccc(F)c1/C=C1/SC(=S)N(CC)C1=O ZINC000871598467 622644773 /nfs/dbraw/zinc/64/47/73/622644773.db2.gz QDBXXLHPNGFZRT-XYOKQWHBSA-N 0 0 311.403 3.446 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccnc(C)c2)cc1F ZINC000789937712 625583821 /nfs/dbraw/zinc/58/38/21/625583821.db2.gz UKKNFDQOCPMMID-UHFFFAOYSA-N 0 0 315.392 3.305 20 10 DGCDRN CC(C)[C@@H](CNC(=O)c1c(F)ccc(O)c1O)c1ccccc1 ZINC000789957541 625587445 /nfs/dbraw/zinc/58/74/45/625587445.db2.gz UAYQCKOLTYUTQR-CYBMUJFWSA-N 0 0 317.360 3.407 20 10 DGCDRN Cc1ccc2nc(CNc3ccccc3NC(C)C)cc(=O)n2c1 ZINC000871847897 622714932 /nfs/dbraw/zinc/71/49/32/622714932.db2.gz ZLPPNWHMDXXKGE-UHFFFAOYSA-N 0 0 322.412 3.435 20 10 DGCDRN Cc1ccc(/C=C\S(=O)(=O)Nc2ccc(O)c(C)c2)cc1 ZINC000771220565 622728430 /nfs/dbraw/zinc/72/84/30/622728430.db2.gz XYCQSHDFZJNDFJ-KTKRTIGZSA-N 0 0 303.383 3.422 20 10 DGCDRN CO[C@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)C(C)C ZINC000771330097 622742758 /nfs/dbraw/zinc/74/27/58/622742758.db2.gz CHIQDECELXEIHY-SFHVURJKSA-N 0 0 318.461 3.210 20 10 DGCDRN CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)C1=CC(=O)CS1 ZINC000771417362 622756539 /nfs/dbraw/zinc/75/65/39/622756539.db2.gz HWDMHZFXUASBNA-OTYXRUKQSA-N 0 0 309.362 3.099 20 10 DGCDRN C/C=C\C[C@H](CO)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000771611494 622780321 /nfs/dbraw/zinc/78/03/21/622780321.db2.gz LVMVQOAZDBFRHG-VGOKWCNXSA-N 0 0 312.413 3.151 20 10 DGCDRN CC[C@@H]([NH2+]CCC[C@H]1CCOC1=O)c1cccc(Cl)c1[O-] ZINC000872112337 622814181 /nfs/dbraw/zinc/81/41/81/622814181.db2.gz JCHTWLFMBCFYCX-SMDDNHRTSA-N 0 0 311.809 3.430 20 10 DGCDRN Cc1nonc1CN[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000872135706 622827867 /nfs/dbraw/zinc/82/78/67/622827867.db2.gz HWJOKRXAJNLOOC-ZDUSSCGKSA-N 0 0 300.406 3.219 20 10 DGCDRN CCOC(=O)c1ccccc1N(C)C(=O)/C=C\c1cncc(C)c1 ZINC000772107606 622847620 /nfs/dbraw/zinc/84/76/20/622847620.db2.gz RODSNCKOAFCZHY-KTKRTIGZSA-N 0 0 324.380 3.243 20 10 DGCDRN COc1ccc2c(c1)CCN2Cc1cccc(-n2cccn2)c1 ZINC000772597481 622915628 /nfs/dbraw/zinc/91/56/28/622915628.db2.gz GIQQXARBHDVSTH-UHFFFAOYSA-N 0 0 305.381 3.444 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCc1cccc2cccnc21 ZINC000772773106 622937101 /nfs/dbraw/zinc/93/71/01/622937101.db2.gz BISXZQZEZAUBFR-VQHVLOKHSA-N 0 0 321.332 3.403 20 10 DGCDRN CC(C)n1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000772997292 622963029 /nfs/dbraw/zinc/96/30/29/622963029.db2.gz FXWCYTKUWYQXFZ-ZDUSSCGKSA-N 0 0 300.406 3.021 20 10 DGCDRN COc1ccc(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000772996340 622963110 /nfs/dbraw/zinc/96/31/10/622963110.db2.gz DERNHIUDJSREHA-AWEZNQCLSA-N 0 0 312.413 3.181 20 10 DGCDRN C[C@@H](NC(=O)[C@H]1COc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000773013283 622966930 /nfs/dbraw/zinc/96/69/30/622966930.db2.gz KANPXLUUIUDCHJ-RHSMWYFYSA-N 0 0 324.424 3.181 20 10 DGCDRN C[C@H](NC(=O)COCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000773017249 622968015 /nfs/dbraw/zinc/96/80/15/622968015.db2.gz DIDKRQDWKFPDFH-HNNXBMFYSA-N 0 0 312.413 3.147 20 10 DGCDRN CC(C)CCO[C@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773017657 622968354 /nfs/dbraw/zinc/96/83/54/622968354.db2.gz IBSKEBQBNRUDDP-LSDHHAIUSA-N 0 0 306.450 3.381 20 10 DGCDRN Cc1cccc(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773089714 622982070 /nfs/dbraw/zinc/98/20/70/622982070.db2.gz UREPQWYQKMDNCG-CQSZACIVSA-N 0 0 318.442 3.101 20 10 DGCDRN C[C@@H](NC(=O)NC(C1CC1)C1CC1)c1ccc(N(C)C)cc1 ZINC000773163589 622995030 /nfs/dbraw/zinc/99/50/30/622995030.db2.gz SAKYFJGTKXHXHT-GFCCVEGCSA-N 0 0 301.434 3.301 20 10 DGCDRN C[C@H](Cc1ccco1)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773193787 622998142 /nfs/dbraw/zinc/99/81/42/622998142.db2.gz YJGXXVQUWNEWQQ-KGLIPLIRSA-N 0 0 315.417 3.337 20 10 DGCDRN Cc1cccc(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000773219115 623000964 /nfs/dbraw/zinc/00/09/64/623000964.db2.gz KVHKPNIYWQLSOB-AWEZNQCLSA-N 0 0 312.417 3.016 20 10 DGCDRN CS[C@H](C)CCC(=O)NCc1ccc2c(c1)CCCN2C ZINC000773291900 623008748 /nfs/dbraw/zinc/00/87/48/623008748.db2.gz HPRKHXXPJVXLQL-CYBMUJFWSA-N 0 0 306.475 3.217 20 10 DGCDRN CSCC[C@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773309592 623010699 /nfs/dbraw/zinc/01/06/99/623010699.db2.gz YDDOSPNNXNHFBU-STQMWFEESA-N 0 0 309.479 3.254 20 10 DGCDRN CS[C@@H]1CC[C@@H](NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773337565 623014573 /nfs/dbraw/zinc/01/45/73/623014573.db2.gz AZDVQCFVJUSOJN-JGGQBBKZSA-N 0 0 321.490 3.397 20 10 DGCDRN C[C@H](NC(=O)NC1Cc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000773447654 623028650 /nfs/dbraw/zinc/02/86/50/623028650.db2.gz RFGVVRWIJSJDKJ-AWEZNQCLSA-N 0 0 323.440 3.280 20 10 DGCDRN C[C@@H](NC(=O)NC[C@@H]1Cc2ccccc21)c1ccc(N(C)C)cc1 ZINC000773614260 623050686 /nfs/dbraw/zinc/05/06/86/623050686.db2.gz SUQRUIGSCUVFQD-PBHICJAKSA-N 0 0 323.440 3.453 20 10 DGCDRN C[C@H](NC(=O)N(C)Cc1cccnc1)c1ccc(N(C)C)cc1 ZINC000773621440 623051334 /nfs/dbraw/zinc/05/13/34/623051334.db2.gz YVUKMOOOLFZJAC-AWEZNQCLSA-N 0 0 312.417 3.050 20 10 DGCDRN CCOC(=O)CN(Cc1ccc(N(C)CC)cc1)C1CCC1 ZINC000773844939 623078819 /nfs/dbraw/zinc/07/88/19/623078819.db2.gz IZYDQQRJPVQREJ-UHFFFAOYSA-N 0 0 304.434 3.060 20 10 DGCDRN CC[S@@](=O)CC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774181041 623116739 /nfs/dbraw/zinc/11/67/39/623116739.db2.gz DPCBIJGKXHQPQR-NTCNTBNZSA-N 0 0 310.246 3.118 20 10 DGCDRN CCc1cnccc1[C@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000774328071 623133049 /nfs/dbraw/zinc/13/30/49/623133049.db2.gz GUUDSVSIMMNQRF-ZDUSSCGKSA-N 0 0 313.401 3.252 20 10 DGCDRN COC(=O)c1cc(NCc2ccccc2O)cc(C)c1[N+](=O)[O-] ZINC000774524428 623155492 /nfs/dbraw/zinc/15/54/92/623155492.db2.gz STASEQQLZMZYKD-UHFFFAOYSA-N 0 0 316.313 3.008 20 10 DGCDRN CC[C@H]1COCCN1Cc1cc(Br)cc(C)c1O ZINC000124553896 623158832 /nfs/dbraw/zinc/15/88/32/623158832.db2.gz KJISWNQMXAFCGQ-ZDUSSCGKSA-N 0 0 314.223 3.074 20 10 DGCDRN COc1c(O)c(CN2CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000774822482 623196192 /nfs/dbraw/zinc/19/61/92/623196192.db2.gz YMGOIOPWBWPQIT-UHFFFAOYSA-N 0 0 314.341 3.262 20 10 DGCDRN COc1c([O-])c(C[N@H+]([C@@H](C)C(C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000774822364 623196350 /nfs/dbraw/zinc/19/63/50/623196350.db2.gz WDJQESLTMNCGFY-NSHDSACASA-N 0 0 308.378 3.318 20 10 DGCDRN COc1c([O-])c(C[NH+]2CCC3(CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000774877681 623203945 /nfs/dbraw/zinc/20/39/45/623203945.db2.gz MPEBPGBORARIFB-UHFFFAOYSA-N 0 0 320.389 3.465 20 10 DGCDRN COc1c([O-])c(C[NH2+]C[C@@H]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000774982972 623213776 /nfs/dbraw/zinc/21/37/76/623213776.db2.gz HHJHRSUXMNYVDV-NEPJUHHUSA-N 0 0 308.378 3.225 20 10 DGCDRN Cc1ccc2n[nH]cc2c1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000873860263 623216997 /nfs/dbraw/zinc/21/69/97/623216997.db2.gz GJYRXJYKUYROFO-UHFFFAOYSA-N 0 0 322.412 3.210 20 10 DGCDRN CCC[C@@H](CC)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000873862690 623217219 /nfs/dbraw/zinc/21/72/19/623217219.db2.gz QUHUQEJIAOVZMX-QGZVFWFLSA-N 0 0 318.461 3.308 20 10 DGCDRN COc1c([O-])c(C[NH2+]CCCc2cccs2)ccc1[N+](=O)[O-] ZINC000775031072 623218272 /nfs/dbraw/zinc/21/82/72/623218272.db2.gz ACWFDWLSPBQBDG-UHFFFAOYSA-N 0 0 322.386 3.093 20 10 DGCDRN COc1c(O)c(CN2C[C@@H](C)c3ccccc32)ccc1[N+](=O)[O-] ZINC000775054982 623222408 /nfs/dbraw/zinc/22/24/08/623222408.db2.gz DOTFNSLTOMMRRW-LLVKDONJSA-N 0 0 314.341 3.433 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CC[C@H](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000775062540 623224242 /nfs/dbraw/zinc/22/42/42/623224242.db2.gz AYKJLDCERHFBLQ-NSHDSACASA-N 0 0 308.378 3.177 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@@H]2CCC[C@H](C)CC2)ccc1[N+](=O)[O-] ZINC000775106817 623232114 /nfs/dbraw/zinc/23/21/14/623232114.db2.gz KHWKKYZRDXMAEG-WCQYABFASA-N 0 0 308.378 3.367 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@H]2CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000775109420 623232490 /nfs/dbraw/zinc/23/24/90/623232490.db2.gz WJODAKQQDSOCMV-LBPRGKRZSA-N 0 0 308.378 3.367 20 10 DGCDRN CCC[C@@H](CC)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000874094308 623239478 /nfs/dbraw/zinc/23/94/78/623239478.db2.gz ZRDRYHSFHMKVPN-OAHLLOKOSA-N 0 0 322.424 3.105 20 10 DGCDRN Cc1cc(NCc2cccc(Cl)c2O)cc(OCCO)c1 ZINC000775206472 623242025 /nfs/dbraw/zinc/24/20/25/623242025.db2.gz PHXYYMRIUUAGBD-UHFFFAOYSA-N 0 0 307.777 3.337 20 10 DGCDRN CN1CCCc2cc(CNC(=O)C3(C)CC(F)(F)C3)ccc21 ZINC000874251656 623252315 /nfs/dbraw/zinc/25/23/15/623252315.db2.gz OZZPMIDBSNVZCT-UHFFFAOYSA-N 0 0 308.372 3.121 20 10 DGCDRN Cc1nc(C2CC2)oc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775406731 623270620 /nfs/dbraw/zinc/27/06/20/623270620.db2.gz ZRPGWWULEKJJGS-LLVKDONJSA-N 0 0 313.401 3.417 20 10 DGCDRN C[C@H](NC(=O)CCc1ccccc1O)c1ccc(N(C)C)cc1 ZINC000775410193 623271416 /nfs/dbraw/zinc/27/14/16/623271416.db2.gz KDLLBCMTAFRWQY-AWEZNQCLSA-N 0 0 312.413 3.268 20 10 DGCDRN Cc1cc2c[nH]nc2c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775412430 623272110 /nfs/dbraw/zinc/27/21/10/623272110.db2.gz XZOVVNBQMCJECH-CYBMUJFWSA-N 0 0 322.412 3.428 20 10 DGCDRN CC[C@@H]([NH2+][C@@H]1CCN(C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775498446 623281058 /nfs/dbraw/zinc/28/10/58/623281058.db2.gz KFJRHAHIUBKLOO-BXKDBHETSA-N 0 0 303.233 3.444 20 10 DGCDRN CC(C)n1cc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000775649235 623304059 /nfs/dbraw/zinc/30/40/59/623304059.db2.gz IYPUHERZMBBAIF-ZDUSSCGKSA-N 0 0 315.421 3.413 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC(n2ccnc2)CC1 ZINC000775664816 623308452 /nfs/dbraw/zinc/30/84/52/623308452.db2.gz AJEWPRGCMKZCJQ-UHFFFAOYSA-N 0 0 309.772 3.218 20 10 DGCDRN Cc1nnc([C@@H]2CCC[N@H+](Cc3cccc(Cl)c3[O-])C2)o1 ZINC000775673801 623310819 /nfs/dbraw/zinc/31/08/19/623310819.db2.gz ZVUMUXRKUCSZTD-GFCCVEGCSA-N 0 0 307.781 3.117 20 10 DGCDRN Cc1nnc([C@H]2CCC[N@H+](Cc3cccc(Cl)c3[O-])C2)o1 ZINC000775673803 623311067 /nfs/dbraw/zinc/31/10/67/623311067.db2.gz ZVUMUXRKUCSZTD-LBPRGKRZSA-N 0 0 307.781 3.117 20 10 DGCDRN CCOC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775700274 623315947 /nfs/dbraw/zinc/31/59/47/623315947.db2.gz MRKLPCOOIDLRIS-LLVKDONJSA-N 0 0 301.789 3.433 20 10 DGCDRN Cc1cc(Cl)cc(CN2CCC[C@H]2C(=O)OC(C)C)c1O ZINC000775711415 623317386 /nfs/dbraw/zinc/31/73/86/623317386.db2.gz YULZKSGLTXSPJH-AWEZNQCLSA-N 0 0 311.809 3.270 20 10 DGCDRN Cc1cc(Cl)cc(CN2CCO[C@@H](C(F)(F)F)C2)c1O ZINC000775715506 623318531 /nfs/dbraw/zinc/31/85/31/623318531.db2.gz ZJUIZNBIUHCCCD-LLVKDONJSA-N 0 0 309.715 3.117 20 10 DGCDRN COc1ccc(O)c(CN2CCc3ccc(F)c(F)c3C2)c1 ZINC000775742606 623323000 /nfs/dbraw/zinc/32/30/00/623323000.db2.gz VNKNFVBZCOMFNO-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN COc1cccnc1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775754914 623326340 /nfs/dbraw/zinc/32/63/40/623326340.db2.gz TVZYOTDKNDWZSH-GFCCVEGCSA-N 0 0 314.389 3.039 20 10 DGCDRN C[C@@H](NC(=O)Nc1cccc(F)n1)c1ccc(N(C)C)cc1 ZINC000775787955 623332177 /nfs/dbraw/zinc/33/21/77/623332177.db2.gz BZJVJUCIDGLPMI-LLVKDONJSA-N 0 0 302.353 3.169 20 10 DGCDRN CCO[C@H](C)c1noc(CN[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775832775 623338202 /nfs/dbraw/zinc/33/82/02/623338202.db2.gz BOZMGXXTDFMTIV-QWHCGFSZSA-N 0 0 318.421 3.084 20 10 DGCDRN C[C@@H](NCc1nnc(C(C)(C)C)o1)c1ccc(N(C)C)cc1 ZINC000775836086 623339496 /nfs/dbraw/zinc/33/94/96/623339496.db2.gz YTZVSVNVADKGOC-GFCCVEGCSA-N 0 0 302.422 3.284 20 10 DGCDRN C[C@H](NCc1nc(C(C)(C)C)no1)c1ccc(N(C)C)cc1 ZINC000775833246 623339860 /nfs/dbraw/zinc/33/98/60/623339860.db2.gz AEPROLFHWLCBEO-LBPRGKRZSA-N 0 0 302.422 3.284 20 10 DGCDRN CCCCN(C(=O)/C=C/c1cnc(OC)nc1)c1ccccc1 ZINC000775868829 623343770 /nfs/dbraw/zinc/34/37/70/623343770.db2.gz DZAOGWTYDZHTAE-ZHACJKMWSA-N 0 0 311.385 3.332 20 10 DGCDRN Cc1ccc(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)c(O)c1O ZINC000775939342 623354766 /nfs/dbraw/zinc/35/47/66/623354766.db2.gz DIROUZBWKSXPIU-ONGXEEELSA-N 0 0 317.307 3.209 20 10 DGCDRN COc1ccc(CN[C@@H](c2nc[nH]n2)c2ccccc2)cc1C ZINC000775971315 623359547 /nfs/dbraw/zinc/35/95/47/623359547.db2.gz NJLLZOHNSVEEHD-QGZVFWFLSA-N 0 0 308.385 3.001 20 10 DGCDRN CCN(CC)c1ccc(CNCc2ccoc2C(=O)OC)cc1 ZINC000776023462 623365495 /nfs/dbraw/zinc/36/54/95/623365495.db2.gz MVOVYTIYPLCGRY-UHFFFAOYSA-N 0 0 316.401 3.202 20 10 DGCDRN CC[C@@H]1[C@@H](C)CCN1C(=O)NCc1ccc(N(C)C)cc1C ZINC000776149622 623382889 /nfs/dbraw/zinc/38/28/89/623382889.db2.gz ISGICXBRGBHHDO-SUMWQHHRSA-N 0 0 303.450 3.391 20 10 DGCDRN C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776253330 623401696 /nfs/dbraw/zinc/40/16/96/623401696.db2.gz MFVUBJUKLSMPKG-ZANVPECISA-N 0 0 313.756 3.380 20 10 DGCDRN Cn1cc(CSc2ncc(C(C)(C)C)s2)c([N+](=O)[O-])n1 ZINC000882138389 625645340 /nfs/dbraw/zinc/64/53/40/625645340.db2.gz GUYDMHYJBQYVEX-UHFFFAOYSA-N 0 0 312.420 3.375 20 10 DGCDRN O=C(N[C@H]1CCc2c1cccc2Cl)c1cccc(O)c1O ZINC000776338123 623414501 /nfs/dbraw/zinc/41/45/01/623414501.db2.gz FHQFDQSWRQJCIO-ZDUSSCGKSA-N 0 0 303.745 3.169 20 10 DGCDRN CCOc1cccc(CNc2cccc(NC(C)=O)c2)c1O ZINC000020827995 623414817 /nfs/dbraw/zinc/41/48/17/623414817.db2.gz JUAICTPEMLLJCG-UHFFFAOYSA-N 0 0 300.358 3.361 20 10 DGCDRN C[C@H](COc1ccccc1)NC(=O)N[C@@H](C)c1ccccc1O ZINC000875125519 623418677 /nfs/dbraw/zinc/41/86/77/623418677.db2.gz PJRYFJDQAHSUIB-KGLIPLIRSA-N 0 0 314.385 3.220 20 10 DGCDRN C[C@@H](Cc1ccccc1F)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875138836 623420551 /nfs/dbraw/zinc/42/05/51/623420551.db2.gz ZIFFIFXMEADBCZ-LBPRGKRZSA-N 0 0 314.360 3.188 20 10 DGCDRN Cc1cccc2c1CC[C@H]2NC(=O)N1Cc2cccc(O)c2C1 ZINC000875242181 623429981 /nfs/dbraw/zinc/42/99/81/623429981.db2.gz VGMZIXWYWCHGLM-QGZVFWFLSA-N 0 0 308.381 3.413 20 10 DGCDRN C[C@H](c1ccco1)N(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000125333772 623430070 /nfs/dbraw/zinc/43/00/70/623430070.db2.gz GJQOCGUYXGQVOI-GFCCVEGCSA-N 0 0 319.380 3.387 20 10 DGCDRN Cc1ccc2c(c1)[C@@H](NC(=O)N1Cc3cccc(O)c3C1)CC2 ZINC000875251439 623430798 /nfs/dbraw/zinc/43/07/98/623430798.db2.gz RTDIZTSDSLZHQW-KRWDZBQOSA-N 0 0 308.381 3.413 20 10 DGCDRN O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)N1Cc2cccc(O)c2C1 ZINC000875315453 623436842 /nfs/dbraw/zinc/43/68/42/623436842.db2.gz UBTNALRASDOZDJ-GZBFAFLISA-N 0 0 300.402 3.386 20 10 DGCDRN C[C@@H](NC(=O)N[C@H]1CCc2c1cccc2O)c1ccccc1O ZINC000875314164 623436932 /nfs/dbraw/zinc/43/69/32/623436932.db2.gz IYJSHOXRVKNHCE-ABAIWWIYSA-N 0 0 312.369 3.146 20 10 DGCDRN O=C(NCCC1Cc2ccccc2C1)N1Cc2cccc(O)c2C1 ZINC000875423117 623448452 /nfs/dbraw/zinc/44/84/52/623448452.db2.gz FWZRWSUKGWTDOZ-UHFFFAOYSA-N 0 0 322.408 3.223 20 10 DGCDRN COC1CCC(CCNC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000875491496 623455693 /nfs/dbraw/zinc/45/56/93/623455693.db2.gz HCUQRQBATCLPIE-UHFFFAOYSA-N 0 0 318.417 3.013 20 10 DGCDRN CCC[C@](C)(O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000125513829 623471737 /nfs/dbraw/zinc/47/17/37/623471737.db2.gz LIEUPOILEQGFBW-IBGZPJMESA-N 0 0 318.461 3.090 20 10 DGCDRN Cc1ncnc(N2CC=C(c3ccc(Cl)nc3)CC2)c1C ZINC000882158330 625650174 /nfs/dbraw/zinc/65/01/74/625650174.db2.gz XDNXARRLRGYRNX-UHFFFAOYSA-N 0 0 300.793 3.436 20 10 DGCDRN COc1cccc(CNC(=O)N[C@H](C)[C@]23C[C@H]2CCCC3)c1O ZINC000876016481 623524616 /nfs/dbraw/zinc/52/46/16/623524616.db2.gz GXGSUBDAOHZUND-DFHBCGBQSA-N 0 0 318.417 3.169 20 10 DGCDRN Oc1cccc(Cl)c1CNc1cnn(Cc2ccccn2)c1 ZINC000777464474 623529197 /nfs/dbraw/zinc/52/91/97/623529197.db2.gz OHHGPZULXNNIOD-UHFFFAOYSA-N 0 0 314.776 3.298 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1N(C)CCCC1(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000790497201 625661230 /nfs/dbraw/zinc/66/12/30/625661230.db2.gz LTWBPAAHHLAYCF-MLGOLLRUSA-N 0 0 321.421 3.071 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)COC(C)(C)C)C2CC2)cc1 ZINC000777932892 623587471 /nfs/dbraw/zinc/58/74/71/623587471.db2.gz DBTVNWCGQDRBSS-UHFFFAOYSA-N 0 0 304.434 3.059 20 10 DGCDRN Cc1ccc(/C=C/C(=O)N2CCN(C3CC3)c3ccccc32)cn1 ZINC000778259097 623633042 /nfs/dbraw/zinc/63/30/42/623633042.db2.gz ZWTHJXJWZXXJHL-DHZHZOJOSA-N 0 0 319.408 3.419 20 10 DGCDRN Cc1ccc2c(c1)SCCCN2C(=O)/C=C\c1cnn(C)c1 ZINC000778279655 623635486 /nfs/dbraw/zinc/63/54/86/623635486.db2.gz GTEUIMHAGCSFDN-ALCCZGGFSA-N 0 0 313.426 3.271 20 10 DGCDRN Cc1cc(C(=O)N2CC[C@H](C)[C@@H](F)C2)c(C)n1-c1ccccn1 ZINC000778466869 623659276 /nfs/dbraw/zinc/65/92/76/623659276.db2.gz IJALCKKRCBSBFE-LRDDRELGSA-N 0 0 315.392 3.309 20 10 DGCDRN COc1ccc(C[N@H+](C)Cc2ccc(F)c(F)c2[O-])cc1O ZINC000876633166 623664860 /nfs/dbraw/zinc/66/48/60/623664860.db2.gz NNBGZARQTZBOEA-UHFFFAOYSA-N 0 0 309.312 3.017 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)N3CC=CCC3)cc2)CC1 ZINC000778661975 623680564 /nfs/dbraw/zinc/68/05/64/623680564.db2.gz VCULJGLEKOMHDT-UHFFFAOYSA-N 0 0 313.445 3.394 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1cc2cccc(Cl)c2o1 ZINC000778916360 623710962 /nfs/dbraw/zinc/71/09/62/623710962.db2.gz FRJGPSYIEICINT-UHFFFAOYSA-N 0 0 317.728 3.427 20 10 DGCDRN CC(C)N(Cc1ccc(N2CCC(O)CC2)cc1)CC(F)F ZINC000876810561 623712131 /nfs/dbraw/zinc/71/21/31/623712131.db2.gz BNLSNRDQMKXJKW-UHFFFAOYSA-N 0 0 312.404 3.123 20 10 DGCDRN Oc1ccc(F)cc1CN1CCN(c2cccc(F)c2F)CC1 ZINC000779021731 623721682 /nfs/dbraw/zinc/72/16/82/623721682.db2.gz WRIPQZUXJQVYAJ-UHFFFAOYSA-N 0 0 322.330 3.132 20 10 DGCDRN Cc1ccccc1[C@H]1CN(Cc2cc(F)ccc2O)CCO1 ZINC000779019757 623721964 /nfs/dbraw/zinc/72/19/64/623721964.db2.gz HXXOIUGNGBPSKW-GOSISDBHSA-N 0 0 301.361 3.413 20 10 DGCDRN Cc1cc(C)nc(NC(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000126208194 623735578 /nfs/dbraw/zinc/73/55/78/623735578.db2.gz GOYTVOVANBHSIP-UHFFFAOYSA-N 0 0 312.417 3.395 20 10 DGCDRN CCN1C(=O)/C(=C\c2ccc3cnccc3c2)SC1=S ZINC000779220848 623743714 /nfs/dbraw/zinc/74/37/14/623743714.db2.gz JHBGOLPTXLFCGA-MDWZMJQESA-N 0 0 300.408 3.456 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H]2CCO)cc1 ZINC000779283729 623754490 /nfs/dbraw/zinc/75/44/90/623754490.db2.gz JLSVQHODOIQPFB-QGZVFWFLSA-N 0 0 312.413 3.081 20 10 DGCDRN CN1CCCc2cc(CNCc3nc(Cl)cs3)ccc21 ZINC000876986550 623759606 /nfs/dbraw/zinc/75/96/06/623759606.db2.gz GCWFNVWFKDCDSH-UHFFFAOYSA-N 0 0 307.850 3.469 20 10 DGCDRN CCN(CC)[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])c1ccco1 ZINC000876989432 623761163 /nfs/dbraw/zinc/76/11/63/623761163.db2.gz ZAMBQYOBNBXXEM-AWEZNQCLSA-N 0 0 324.371 3.436 20 10 DGCDRN C[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000779499604 623775047 /nfs/dbraw/zinc/77/50/47/623775047.db2.gz NNKDXTOKZJBZIN-AHAUYKDXSA-N 0 0 315.344 3.170 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc2cc[nH]c2n1 ZINC000779494992 623775062 /nfs/dbraw/zinc/77/50/62/623775062.db2.gz BTAGEAISLOFAQM-UHFFFAOYSA-N 0 0 320.396 3.093 20 10 DGCDRN C[C@@]1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCCc2ccccc21 ZINC000779509721 623775909 /nfs/dbraw/zinc/77/59/09/623775909.db2.gz HKSFKUSFBHLNHZ-WAEYIKQSSA-N 0 0 323.392 3.479 20 10 DGCDRN CC(C)(NC(=O)/C=C/c1ccc(O)c(O)c1)c1cccs1 ZINC000779517841 623776576 /nfs/dbraw/zinc/77/65/76/623776576.db2.gz GJLPTTDTTSFBJB-SOFGYWHQSA-N 0 0 303.383 3.224 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCCc2sccc2C1 ZINC000779515264 623776685 /nfs/dbraw/zinc/77/66/85/623776685.db2.gz PRPQCGACKMRPDG-XQRVVYSFSA-N 0 0 315.394 3.148 20 10 DGCDRN Cc1ccc2c(c1)[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)CC2 ZINC000779513701 623776729 /nfs/dbraw/zinc/77/67/29/623776729.db2.gz IIDSANKTKAPBRE-VCIFKONDSA-N 0 0 309.365 3.223 20 10 DGCDRN CCC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccn1 ZINC000779513961 623776873 /nfs/dbraw/zinc/77/68/73/623776873.db2.gz ZFZIZDRYJLEEFK-WWRUEGTHSA-N 0 0 312.369 3.164 20 10 DGCDRN C[C@@H](CN(C)C(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000779513421 623776898 /nfs/dbraw/zinc/77/68/98/623776898.db2.gz HKPYBLGAXCQMQW-MARXPDLDSA-N 0 0 311.381 3.373 20 10 DGCDRN [O-]c1c(C[NH2+][C@@H](CCCO)c2ccccc2)ccc(F)c1F ZINC000877056966 623777960 /nfs/dbraw/zinc/77/79/60/623777960.db2.gz YIVNFXFSGLUPCG-HNNXBMFYSA-N 0 0 307.340 3.274 20 10 DGCDRN Cc1cc(C(=O)N2CCC(=O)[C@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000779538767 623778034 /nfs/dbraw/zinc/77/80/34/623778034.db2.gz CISLXPVVZRBLJL-CQSZACIVSA-N 0 0 324.424 3.454 20 10 DGCDRN COc1ccc2c(c1)[C@H](C(=O)N(C)c1ccc(N)cc1)CCC2 ZINC000877074398 623784877 /nfs/dbraw/zinc/78/48/77/623784877.db2.gz IXVWIKLHTZTJQO-QGZVFWFLSA-N 0 0 310.397 3.360 20 10 DGCDRN C[C@@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877127232 623797744 /nfs/dbraw/zinc/79/77/44/623797744.db2.gz BYHHIKSNWVXAEE-XHDPSFHLSA-N 0 0 307.340 3.272 20 10 DGCDRN CN1CC[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])[C@H]1c1ccccc1 ZINC000877127441 623798005 /nfs/dbraw/zinc/79/80/05/623798005.db2.gz HDMDQDNOGXKUSN-DOTOQJQBSA-N 0 0 318.367 3.205 20 10 DGCDRN COCC[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccc(C)o1 ZINC000877166978 623813599 /nfs/dbraw/zinc/81/35/99/623813599.db2.gz KABUPYRKUJJEFO-ZDUSSCGKSA-N 0 0 311.328 3.439 20 10 DGCDRN COc1ccc(N(C)Cc2cnc3c(cnn3C)c2)cc1Cl ZINC000877182055 623818865 /nfs/dbraw/zinc/81/88/65/623818865.db2.gz UGNYXHMLQNYWCO-UHFFFAOYSA-N 0 0 316.792 3.267 20 10 DGCDRN COc1cc(C)ccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000780269098 623900550 /nfs/dbraw/zinc/90/05/50/623900550.db2.gz PQCPIJYZGVNXMA-UHFFFAOYSA-N 0 0 312.413 3.342 20 10 DGCDRN [O-]c1c(C[NH2+][C@@H]2CCc3cc(O)ccc3C2)ccc(F)c1F ZINC000877479556 623901825 /nfs/dbraw/zinc/90/18/25/623901825.db2.gz DWVNLPGNWGLZDV-CYBMUJFWSA-N 0 0 305.324 3.023 20 10 DGCDRN CCNC(=O)N(C)c1cccc(NCc2c(C)cccc2O)c1 ZINC000877490734 623909114 /nfs/dbraw/zinc/90/91/14/623909114.db2.gz FRMXISULWRHIGT-UHFFFAOYSA-N 0 0 313.401 3.478 20 10 DGCDRN [O-]c1c(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)ccc(F)c1F ZINC000877529240 623925679 /nfs/dbraw/zinc/92/56/79/623925679.db2.gz WUIFDTGNPOIJSI-OLZOCXBDSA-N 0 0 311.372 3.309 20 10 DGCDRN [O-]c1c(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)ccc(F)c1F ZINC000877546625 623936111 /nfs/dbraw/zinc/93/61/11/623936111.db2.gz UZMIJRLRHSITBW-GFCCVEGCSA-N 0 0 322.330 3.178 20 10 DGCDRN Cc1cccc(O)c1C[N@@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000877571277 623947275 /nfs/dbraw/zinc/94/72/75/623947275.db2.gz SSMFKHNFCQPHQH-WBVHZDCISA-N 0 0 317.429 3.208 20 10 DGCDRN [O-]c1c(C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)ccc(F)c1F ZINC000877572103 623947513 /nfs/dbraw/zinc/94/75/13/623947513.db2.gz DRKAUQSDGKJSOV-IUODEOHRSA-N 0 0 320.339 3.075 20 10 DGCDRN Cc1ccc(CN2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)c(O)c1 ZINC000877639675 623973370 /nfs/dbraw/zinc/97/33/70/623973370.db2.gz OLFUOSRBBDBRLY-WCQYABFASA-N 0 0 303.324 3.242 20 10 DGCDRN Cc1cccc(O)c1C[N@@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000877651454 623978722 /nfs/dbraw/zinc/97/87/22/623978722.db2.gz YVROUMCAMSMOFF-UHFFFAOYSA-N 0 0 311.429 3.346 20 10 DGCDRN CCn1c2ccccc2nc1CN(C)c1ccc2c(c1)OCO2 ZINC000780778150 623982396 /nfs/dbraw/zinc/98/23/96/623982396.db2.gz DSQUTBIOHDVKDM-UHFFFAOYSA-N 0 0 309.369 3.421 20 10 DGCDRN COC(=O)[C@](C)(NCc1ccc(C)cc1O)c1ccc(F)cc1 ZINC000877674049 623987015 /nfs/dbraw/zinc/98/70/15/623987015.db2.gz GNSHIOJBAAEVBS-GOSISDBHSA-N 0 0 317.360 3.018 20 10 DGCDRN Cc1ccc(C(=O)N[C@H](C)c2c(F)cccc2F)c(O)c1O ZINC000780877932 623993485 /nfs/dbraw/zinc/99/34/85/623993485.db2.gz LGGNQRYHEQLURR-SECBINFHSA-N 0 0 307.296 3.175 20 10 DGCDRN Cc1ccc(C(=O)Nc2cc(Cl)ccc2N(C)C)c(O)c1O ZINC000780910856 623997087 /nfs/dbraw/zinc/99/70/87/623997087.db2.gz FWDNAPQGGOLSER-UHFFFAOYSA-N 0 0 320.776 3.378 20 10 DGCDRN COc1cc(OC)c(CN2Cc3cccc(O)c3C2)cc1F ZINC000877702769 623997191 /nfs/dbraw/zinc/99/71/91/623997191.db2.gz HECFADXDIPJSAG-UHFFFAOYSA-N 0 0 303.333 3.064 20 10 DGCDRN Oc1cccc2c1CN(Cc1ccnn1CCc1ccccc1)C2 ZINC000877703121 623998676 /nfs/dbraw/zinc/99/86/76/623998676.db2.gz SCTTYPNLPXFMAH-UHFFFAOYSA-N 0 0 319.408 3.347 20 10 DGCDRN Cc1ccc(-c2nn(C)cc2CN2Cc3cccc(O)c3C2)o1 ZINC000877702958 623998723 /nfs/dbraw/zinc/99/87/23/623998723.db2.gz MFBHZLZKLWRLPA-UHFFFAOYSA-N 0 0 309.369 3.210 20 10 DGCDRN CCOc1cc(NC(=O)c2ccc(C)c(O)c2O)ccc1C ZINC000780925500 623999403 /nfs/dbraw/zinc/99/94/03/623999403.db2.gz DNNQZEMOZINHCL-UHFFFAOYSA-N 0 0 301.342 3.366 20 10 DGCDRN Cc1cccc(CC2CN(C(=O)c3ccc(C)c(O)c3O)C2)c1 ZINC000780966073 624004815 /nfs/dbraw/zinc/00/48/15/624004815.db2.gz WMGHAINSOXQXKE-UHFFFAOYSA-N 0 0 311.381 3.029 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CCC12CCOCC2 ZINC000877728877 624005716 /nfs/dbraw/zinc/00/57/16/624005716.db2.gz UFHYMSRWJCBXSD-GFCCVEGCSA-N 0 0 313.800 3.481 20 10 DGCDRN COc1c([O-])c(C[NH2+]CC(C)(C)C(C)(F)F)ccc1[N+](=O)[O-] ZINC000877731053 624006906 /nfs/dbraw/zinc/00/69/06/624006906.db2.gz MMIHVHSNSXFJMT-UHFFFAOYSA-N 0 0 318.320 3.080 20 10 DGCDRN Cc1cc(O)c([C@@H]2NC(C)(C)C(=O)N2CC2CCCC2)cc1C ZINC000877857379 624071400 /nfs/dbraw/zinc/07/14/00/624071400.db2.gz QFPJOWPFFVWUCJ-QGZVFWFLSA-N 0 0 316.445 3.408 20 10 DGCDRN CC1(C)N[C@@H](c2cc(Cl)ccc2O)N(c2ccccc2)C1=O ZINC000877857563 624071431 /nfs/dbraw/zinc/07/14/31/624071431.db2.gz UOSLVARPIFVYAY-OAHLLOKOSA-N 0 0 316.788 3.459 20 10 DGCDRN Cc1ccc2c(c1)N[C@@H](c1cc(Cl)cc(F)c1O)NC2=O ZINC000877864620 624073996 /nfs/dbraw/zinc/07/39/96/624073996.db2.gz OYJNORUPTCIGQG-CQSZACIVSA-N 0 0 306.724 3.347 20 10 DGCDRN COc1ccc(N2CCN(C(=O)[C@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000129586606 625696832 /nfs/dbraw/zinc/69/68/32/625696832.db2.gz PLPZOURDMXRLLM-CVEARBPZSA-N 0 0 316.445 3.170 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+]Cc2ccn(C)c2)c1 ZINC000781632108 624110247 /nfs/dbraw/zinc/11/02/47/624110247.db2.gz GQTJMIKVATUPBG-UHFFFAOYSA-N 0 0 309.207 3.091 20 10 DGCDRN CC[C@H]1C[C@H](CC(=O)NCc2ccc(N(C)C)cc2C)CCO1 ZINC000781642491 624113417 /nfs/dbraw/zinc/11/34/17/624113417.db2.gz QZOIDPFXUPKHMH-QAPCUYQASA-N 0 0 318.461 3.273 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2ncsc2C2CC2)cc1 ZINC000877975881 624119705 /nfs/dbraw/zinc/11/97/05/624119705.db2.gz LMKWQNHVWHTOHB-UHFFFAOYSA-N 0 0 315.442 3.359 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ncsc2C2CC2)cc1 ZINC000877978918 624121745 /nfs/dbraw/zinc/12/17/45/624121745.db2.gz SDOAEMUJDPZAPI-UHFFFAOYSA-N 0 0 301.415 3.017 20 10 DGCDRN CC[C@H]1COCCN1Cc1cc(C)cc(Br)c1O ZINC000781901093 624164540 /nfs/dbraw/zinc/16/45/40/624164540.db2.gz MAEQQYLOTQRCCM-LBPRGKRZSA-N 0 0 314.223 3.074 20 10 DGCDRN CCOCC[N@H+](CC)Cc1cc(C)cc(Br)c1[O-] ZINC000781899072 624166671 /nfs/dbraw/zinc/16/66/71/624166671.db2.gz GBYPUEFHPZDUTH-UHFFFAOYSA-N 0 0 316.239 3.322 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CCCSC2)c1 ZINC000781917763 624170814 /nfs/dbraw/zinc/17/08/14/624170814.db2.gz HCVNYFFZFZBDHN-LLVKDONJSA-N 0 0 316.264 3.448 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1csc(Cl)n1 ZINC000781948456 624179216 /nfs/dbraw/zinc/17/92/16/624179216.db2.gz ZOUVVDSOMXYUSD-UHFFFAOYSA-N 0 0 322.817 3.311 20 10 DGCDRN COc1cc(N(C)C[C@H]2CCC3(CCC3)O2)cc(OC)c1OC ZINC000878128997 624181226 /nfs/dbraw/zinc/18/12/26/624181226.db2.gz JOBUPOWJZHWZMA-CQSZACIVSA-N 0 0 321.417 3.250 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)CC(C)(C)OC)cc1 ZINC000782072733 624199311 /nfs/dbraw/zinc/19/93/11/624199311.db2.gz VNRYTQPAGNCJRZ-UHFFFAOYSA-N 0 0 306.450 3.306 20 10 DGCDRN COc1ccc(N(C)Cc2nccn2CC(F)F)cc1Cl ZINC000878186640 624206963 /nfs/dbraw/zinc/20/69/63/624206963.db2.gz NCEOREMAHLQJDQ-UHFFFAOYSA-N 0 0 315.751 3.447 20 10 DGCDRN C[C@@H](NC(=O)Nc1nnc(C(C)(C)C)s1)c1ccccc1O ZINC000878390483 624265455 /nfs/dbraw/zinc/26/54/55/624265455.db2.gz QWRVRHMEXFLODY-SECBINFHSA-N 0 0 320.418 3.424 20 10 DGCDRN CN(c1ccc(CNC(=O)C2(C)COC2)cc1)C1CCCCC1 ZINC000782606577 624266374 /nfs/dbraw/zinc/26/63/74/624266374.db2.gz FBOBUTJKBWLHEE-UHFFFAOYSA-N 0 0 316.445 3.108 20 10 DGCDRN CC(C)Oc1ccc(N(C)C[C@H]2CC3(CO2)CCOCC3)cc1 ZINC000878512068 624295102 /nfs/dbraw/zinc/29/51/02/624295102.db2.gz KFXVJLMAVLLNSQ-GOSISDBHSA-N 0 0 319.445 3.496 20 10 DGCDRN CCOC(=O)c1ccccc1N(C)C(=O)/C=C/c1cncc(C)c1 ZINC000127298357 624347985 /nfs/dbraw/zinc/34/79/85/624347985.db2.gz RODSNCKOAFCZHY-MDZDMXLPSA-N 0 0 324.380 3.243 20 10 DGCDRN CN(Cc1ncc(Br)s1)Cc1ccccc1O ZINC000783423393 624348754 /nfs/dbraw/zinc/34/87/54/624348754.db2.gz DORIBGNYXISGQW-UHFFFAOYSA-N 0 0 313.220 3.243 20 10 DGCDRN Cc1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1Cl ZINC000783458889 624354654 /nfs/dbraw/zinc/35/46/54/624354654.db2.gz ZNPUUDDQBRNQAE-UHFFFAOYSA-N 0 0 320.728 3.099 20 10 DGCDRN CCCCCC[C@H](C)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783864420 624402026 /nfs/dbraw/zinc/40/20/26/624402026.db2.gz JMUFASOJZWWAKG-LBPRGKRZSA-N 0 0 308.374 3.430 20 10 DGCDRN CC(C)[C@H](CC(F)(F)F)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000783870597 624403000 /nfs/dbraw/zinc/40/30/00/624403000.db2.gz XQWXXTOPBFNXNB-MALLOTDXSA-N 0 0 317.307 3.204 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N(C)C[C@@H]2CC=CCC2)cc1 ZINC000783926900 624409846 /nfs/dbraw/zinc/40/98/46/624409846.db2.gz JZLVZTQWNHTYGL-MRXNPFEDSA-N 0 0 301.434 3.250 20 10 DGCDRN COc1ccc(N2CCN(C(=O)C(C)(C)C(C)C)CC2)cc1 ZINC000784018271 624422879 /nfs/dbraw/zinc/42/28/79/624422879.db2.gz UKWJVWZUJYNTLF-UHFFFAOYSA-N 0 0 304.434 3.026 20 10 DGCDRN CCOc1ccc(N(Cc2nnc(CC)o2)CC2CC2)cc1 ZINC000879118736 624431249 /nfs/dbraw/zinc/43/12/49/624431249.db2.gz JQOZWANCUZHYND-UHFFFAOYSA-N 0 0 301.390 3.447 20 10 DGCDRN Cc1cc(Cl)ccc1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784211329 624455111 /nfs/dbraw/zinc/45/51/11/624455111.db2.gz VZWVCUADNSTSNS-UHFFFAOYSA-N 0 0 320.728 3.099 20 10 DGCDRN CCOc1cccc(CN(C)c2ccc(OC)cc2OC)n1 ZINC000784206589 624455316 /nfs/dbraw/zinc/45/53/16/624455316.db2.gz ZXXCRVRZGQPNOS-UHFFFAOYSA-N 0 0 302.374 3.134 20 10 DGCDRN CC1(C)CCC(C(=O)OCC(=O)c2ccc(O)c(O)c2)CC1 ZINC000784247457 624463754 /nfs/dbraw/zinc/46/37/54/624463754.db2.gz SYZMTCWXBYIKFD-UHFFFAOYSA-N 0 0 306.358 3.040 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1nc2c(cccc2F)o1 ZINC000784365106 624511697 /nfs/dbraw/zinc/51/16/97/624511697.db2.gz DDWXJBMFDFCOEC-SECBINFHSA-N 0 0 302.305 3.421 20 10 DGCDRN CC[C@@H](C)CCCCC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784675394 624569802 /nfs/dbraw/zinc/56/98/02/624569802.db2.gz IRCUJRIPFAOUKQ-GFCCVEGCSA-N 0 0 308.374 3.430 20 10 DGCDRN C[C@@H](NCc1nnc(C(F)(F)F)s1)c1ccccc1O ZINC000879649186 624622999 /nfs/dbraw/zinc/62/29/99/624622999.db2.gz LGPGVJIGFADXSJ-SSDOTTSWSA-N 0 0 303.309 3.113 20 10 DGCDRN COc1ccc(N(C)C[C@@H](C)NC(=O)OC(C)(C)C)cc1OC ZINC000785442740 624667490 /nfs/dbraw/zinc/66/74/90/624667490.db2.gz WHBCUIKDIYHAGI-GFCCVEGCSA-N 0 0 324.421 3.053 20 10 DGCDRN COc1ccc(NCc2cc(Cl)ccc2O)cc1NC(N)=O ZINC000785563389 624688305 /nfs/dbraw/zinc/68/83/05/624688305.db2.gz ONJUYYJAAXCFAO-UHFFFAOYSA-N 0 0 321.764 3.157 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)Cc2ccc(Cl)cn2)cc1 ZINC000785752034 624724268 /nfs/dbraw/zinc/72/42/68/624724268.db2.gz DUVZZBSBHBVFGA-UHFFFAOYSA-N 0 0 317.820 3.002 20 10 DGCDRN O=C(NCCCSc1nccs1)c1cc[nH]c1C1CC1 ZINC000786159025 624813297 /nfs/dbraw/zinc/81/32/97/624813297.db2.gz KECCQJAEKVUXPJ-UHFFFAOYSA-N 0 0 307.444 3.261 20 10 DGCDRN COC(=O)CCc1cccc(NCc2ccc(N(C)C)cc2)c1 ZINC000786578360 624925008 /nfs/dbraw/zinc/92/50/08/624925008.db2.gz UHECFCMGXZVNNI-UHFFFAOYSA-N 0 0 312.413 3.470 20 10 DGCDRN Cc1ccc(NC(=O)COc2ccc(N(C)C)cc2)cc1F ZINC000786866297 624959257 /nfs/dbraw/zinc/95/92/57/624959257.db2.gz VJJIJNHPKUYJQL-UHFFFAOYSA-N 0 0 302.349 3.218 20 10 DGCDRN C[C@@H]([NH2+]CCCCO)c1cc(Br)cc(Cl)c1[O-] ZINC000786940957 624966552 /nfs/dbraw/zinc/96/65/52/624966552.db2.gz MAMKKEUNRKFILQ-MRVPVSSYSA-N 0 0 322.630 3.231 20 10 DGCDRN CC1(C)CO[C@@H](CCC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000880539797 624974711 /nfs/dbraw/zinc/97/47/11/624974711.db2.gz HWJHIKIEVVOOOD-ZDUSSCGKSA-N 0 0 311.809 3.257 20 10 DGCDRN COCC1CN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC000880593449 624984588 /nfs/dbraw/zinc/98/45/88/624984588.db2.gz ZNKNSRFFVCCIAH-UHFFFAOYSA-N 0 0 312.413 3.121 20 10 DGCDRN COc1ccc(N(CC(C)C)C[C@H](O)CC(F)(F)F)cc1 ZINC000787258735 624992571 /nfs/dbraw/zinc/99/25/71/624992571.db2.gz CETQRQPBMOPKNK-CYBMUJFWSA-N 0 0 305.340 3.471 20 10 DGCDRN COc1ccc(N(CC(C)C)C[C@@H](O)CC(F)(F)F)cc1 ZINC000787258737 624992835 /nfs/dbraw/zinc/99/28/35/624992835.db2.gz CETQRQPBMOPKNK-ZDUSSCGKSA-N 0 0 305.340 3.471 20 10 DGCDRN CCN(CCOCC(F)(F)C(F)F)c1ccc(OC)cc1 ZINC000787262979 624993261 /nfs/dbraw/zinc/99/32/61/624993261.db2.gz TXARTNRTJAEJSA-UHFFFAOYSA-N 0 0 309.303 3.439 20 10 DGCDRN Cc1cscc1CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000787337369 625002333 /nfs/dbraw/zinc/00/23/33/625002333.db2.gz KKKRWVAWKWFVMP-UHFFFAOYSA-N 0 0 317.458 3.464 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)C2CC2)cc1 ZINC000787402270 625007536 /nfs/dbraw/zinc/00/75/36/625007536.db2.gz UJOFZURMROKKSI-PIIMJCKOSA-N 0 0 313.445 3.225 20 10 DGCDRN CSCc1ccc(CNC(=O)NCc2ccccc2O)cc1 ZINC000805841059 625015620 /nfs/dbraw/zinc/01/56/20/625015620.db2.gz DDXUMGARGGNULN-UHFFFAOYSA-N 0 0 316.426 3.255 20 10 DGCDRN COC(C)(C)CCOC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000787609124 625023741 /nfs/dbraw/zinc/02/37/41/625023741.db2.gz NNUAGQVECFBGOW-UHFFFAOYSA-N 0 0 322.430 3.467 20 10 DGCDRN Cc1ncc(CC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)o1 ZINC000880865349 625085443 /nfs/dbraw/zinc/08/54/43/625085443.db2.gz JLLXZRMFMDOIOY-UHFFFAOYSA-N 0 0 315.417 3.029 20 10 DGCDRN CC(C)[C@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])c1ccnn1C ZINC000788260115 625108394 /nfs/dbraw/zinc/10/83/94/625108394.db2.gz TXPRAEMNUFDNDA-DOMZBBRYSA-N 0 0 305.397 3.355 20 10 DGCDRN CC(C)[C@@H](C[NH2+]Cc1cccc(Cl)c1[O-])c1ccnn1C ZINC000788266172 625108470 /nfs/dbraw/zinc/10/84/70/625108470.db2.gz LASNZDZLHWCZDT-CYBMUJFWSA-N 0 0 307.825 3.309 20 10 DGCDRN C[C@@H](O)CCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000788603767 625225281 /nfs/dbraw/zinc/22/52/81/625225281.db2.gz DRZCYNAUPRZOPQ-BDAKNGLRSA-N 0 0 320.202 3.105 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CCCOC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788777025 625264980 /nfs/dbraw/zinc/26/49/80/625264980.db2.gz RVBSYBJTGSJRGF-QWRGUYRKSA-N 0 0 303.324 3.488 20 10 DGCDRN CCOC1CC(CC[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000790992210 625733052 /nfs/dbraw/zinc/73/30/52/625733052.db2.gz UDBICKSZLVJVCG-UHFFFAOYSA-N 0 0 301.789 3.480 20 10 DGCDRN COc1ccc(N2CC[C@H](Nc3nnc(C(C)(C)C)o3)C2)cc1 ZINC000882579063 625759202 /nfs/dbraw/zinc/75/92/02/625759202.db2.gz YKXGENPXIPJPGQ-LBPRGKRZSA-N 0 0 316.405 3.067 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cccc3c2CCCN3)cc1 ZINC000130208611 625828398 /nfs/dbraw/zinc/82/83/98/625828398.db2.gz YWRAFBIKEQNRKO-UHFFFAOYSA-N 0 0 309.413 3.041 20 10 DGCDRN CN1CCc2cc([C@@H]3Nc4ccc(Cl)cc4C(=O)N3)ccc21 ZINC000130268312 625832710 /nfs/dbraw/zinc/83/27/10/625832710.db2.gz XQVZUULUEKTBFT-MRXNPFEDSA-N 0 0 313.788 3.186 20 10 DGCDRN Cc1ccc2c(c1)C(=O)N(C)[C@H](c1ccc3c(c1)CCN3C)N2 ZINC000130286251 625834947 /nfs/dbraw/zinc/83/49/47/625834947.db2.gz YEEYMGNAESLKSE-GOSISDBHSA-N 0 0 307.397 3.184 20 10 DGCDRN CCOCc1ccccc1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882883129 625844435 /nfs/dbraw/zinc/84/44/35/625844435.db2.gz OMRLOWVENNEDDH-UHFFFAOYSA-N 0 0 307.340 3.497 20 10 DGCDRN CN(C)[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccc(F)cc1 ZINC000882904507 625852272 /nfs/dbraw/zinc/85/22/72/625852272.db2.gz AUBVZFYMNWNREO-MRXNPFEDSA-N 0 0 324.346 3.202 20 10 DGCDRN COc1cccc2c1OCC[C@H]2[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882996873 625890984 /nfs/dbraw/zinc/89/09/84/625890984.db2.gz LWHMCRPDQXTNON-CQSZACIVSA-N 0 0 321.323 3.292 20 10 DGCDRN CCCN(Cc1noc(C(C)(C)C)n1)Cc1ccccc1O ZINC000130731489 625896656 /nfs/dbraw/zinc/89/66/56/625896656.db2.gz SHKGOZRRFPRCPU-UHFFFAOYSA-N 0 0 303.406 3.485 20 10 DGCDRN Oc1c(F)cc(F)cc1CNc1ccc(O[C@@H]2CCOC2)cc1 ZINC000883016451 625897094 /nfs/dbraw/zinc/89/70/94/625897094.db2.gz ZMSKBHGPQCFLEP-OAHLLOKOSA-N 0 0 321.323 3.450 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@H](O)c1cccc(F)c1 ZINC000883027694 625901761 /nfs/dbraw/zinc/90/17/61/625901761.db2.gz KQPRPHDSKWXKNP-VFZGTOFNSA-N 0 0 311.303 3.021 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000883049259 625910896 /nfs/dbraw/zinc/91/08/96/625910896.db2.gz IKERWPSSUAAMEJ-UXLLHSPISA-N 0 0 301.336 3.346 20 10 DGCDRN C[C@H](C[C@H](O)c1cccs1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883079619 625919264 /nfs/dbraw/zinc/91/92/64/625919264.db2.gz YMXXLJDSTMAOSX-RNCFNFMXSA-N 0 0 313.369 3.334 20 10 DGCDRN C[C@H]1c2nncn2CCN1Cc1cc(-c2ccccc2)ccc1O ZINC000792186039 625921180 /nfs/dbraw/zinc/92/11/80/625921180.db2.gz FVZQZYUEIGSWPB-AWEZNQCLSA-N 0 0 320.396 3.228 20 10 DGCDRN COCC[C@@H](Cc1ccco1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883086512 625921428 /nfs/dbraw/zinc/92/14/28/625921428.db2.gz XPLQTQBYSXVKOC-ZDUSSCGKSA-N 0 0 311.328 3.001 20 10 DGCDRN C[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@H](C)S1=O ZINC000792192353 625922197 /nfs/dbraw/zinc/92/21/97/625922197.db2.gz NCCOALCTKZPMIG-HOTGVXAUSA-N 0 0 320.502 3.018 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2cc(O)c3ccccc3c2)c1 ZINC000792237389 625929784 /nfs/dbraw/zinc/92/97/84/625929784.db2.gz CMQLQXJRDGQDTQ-UHFFFAOYSA-N 0 0 323.348 3.190 20 10 DGCDRN CCNc1ccc(Cl)cc1C(=O)NCc1ccccc1O ZINC000792296254 625934999 /nfs/dbraw/zinc/93/49/99/625934999.db2.gz YWVKEFJZJBIEJK-UHFFFAOYSA-N 0 0 304.777 3.407 20 10 DGCDRN COCCOCc1ccc(NCc2cc(F)cc(F)c2O)cc1 ZINC000883190681 625962940 /nfs/dbraw/zinc/96/29/40/625962940.db2.gz JVOIAFXUNWIQLJ-UHFFFAOYSA-N 0 0 323.339 3.446 20 10 DGCDRN CS[C@H]1C[C@H]([NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000883195790 625966030 /nfs/dbraw/zinc/96/60/30/625966030.db2.gz CKEACLXAGPSJRQ-MGCOHNPYSA-N 0 0 320.227 3.277 20 10 DGCDRN CCc1nnc(CN(CCC(C)C)c2ccc(OC)cc2)[nH]1 ZINC000796505206 626056965 /nfs/dbraw/zinc/05/69/65/626056965.db2.gz QFOCAKWZPVPPCJ-UHFFFAOYSA-N 0 0 302.422 3.428 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CC(C)=C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000797438745 626142979 /nfs/dbraw/zinc/14/29/79/626142979.db2.gz HGXZKRQHQYCGHG-SMYYYNMVSA-N 0 0 316.357 3.183 20 10 DGCDRN COc1ccc(CNC(=O)Nc2scnc2C2CC2)c(O)c1 ZINC000797638628 626161388 /nfs/dbraw/zinc/16/13/88/626161388.db2.gz HXHGIXRAWLQPMN-UHFFFAOYSA-N 0 0 319.386 3.056 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]2CCC(F)(F)C2)c1 ZINC000797942947 626183092 /nfs/dbraw/zinc/18/30/92/626183092.db2.gz LTJZTRMIFRJQKW-QWRGUYRKSA-N 0 0 313.344 3.404 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000798089656 626193506 /nfs/dbraw/zinc/19/35/06/626193506.db2.gz OTKFCTZTUQMOCW-LSDHHAIUSA-N 0 0 316.788 3.401 20 10 DGCDRN C[C@@H]([NH2+]C1CCN(C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000798180083 626199997 /nfs/dbraw/zinc/19/99/97/626199997.db2.gz YOWRBIJJKQMHIZ-SNVBAGLBSA-N 0 0 302.340 3.156 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](C)C[C@H](C)O)c1cccc(C(F)(F)F)c1[O-] ZINC000798184621 626200971 /nfs/dbraw/zinc/20/09/71/626200971.db2.gz ZKJSHMNAELDDAY-GARJFASQSA-N 0 0 305.340 3.469 20 10 DGCDRN Cc1ccccc1[C@H]1C[C@H](NC(=O)NCc2ccccc2O)C1 ZINC000798395501 626215071 /nfs/dbraw/zinc/21/50/71/626215071.db2.gz IRTOCQFJNCUKDU-WKILWMFISA-N 0 0 310.397 3.446 20 10 DGCDRN COc1ccc2c(c1)CCCCN2Cc1cnc(OC)nc1C ZINC000799149734 626275650 /nfs/dbraw/zinc/27/56/50/626275650.db2.gz SQBLPEGMSOGLLX-UHFFFAOYSA-N 0 0 313.401 3.145 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2O[C@@H](C)C[C@H]2C)cc1 ZINC000799864681 626331798 /nfs/dbraw/zinc/33/17/98/626331798.db2.gz UMQOLKYIZLSOSG-RVKKMQEKSA-N 0 0 318.461 3.305 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1O[C@H](C)C[C@@H]1C ZINC000799881387 626333045 /nfs/dbraw/zinc/33/30/45/626333045.db2.gz LNWAJYMVMQWBOV-HDMKZQKVSA-N 0 0 318.461 3.303 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)c1 ZINC000800288095 626348710 /nfs/dbraw/zinc/34/87/10/626348710.db2.gz GOUMBIUMWLBDDJ-AWEZNQCLSA-N 0 0 318.760 3.211 20 10 DGCDRN COc1cc(NC(=O)NCc2ccccc2O)c(C)c(OC)c1 ZINC000800574104 626368071 /nfs/dbraw/zinc/36/80/71/626368071.db2.gz FEQSAZAVIHJHBQ-UHFFFAOYSA-N 0 0 316.357 3.040 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)COC1CCCC1 ZINC000839917076 626370582 /nfs/dbraw/zinc/37/05/82/626370582.db2.gz YPLLLTJGMJCSTL-OAHLLOKOSA-N 0 0 318.461 3.067 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CC(F)(F)F ZINC000839917117 626370606 /nfs/dbraw/zinc/37/06/06/626370606.db2.gz ZSQWDECYBQNHGE-NSHDSACASA-N 0 0 302.340 3.061 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(C)(Cl)Cl ZINC000839919467 626372001 /nfs/dbraw/zinc/37/20/01/626372001.db2.gz HGMBZOPTYHCCIE-NSHDSACASA-N 0 0 317.260 3.302 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CC12CCC2 ZINC000839920071 626373415 /nfs/dbraw/zinc/37/34/15/626373415.db2.gz KIQORAMQMRCTJA-YOEHRIQHSA-N 0 0 300.446 3.298 20 10 DGCDRN CC[C@@H]1CC[C@@H](C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)O1 ZINC000839921095 626373534 /nfs/dbraw/zinc/37/35/34/626373534.db2.gz WREYJVXOEPYKIN-OLMNPRSZSA-N 0 0 318.461 3.066 20 10 DGCDRN CSCC(C)(C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839921014 626373563 /nfs/dbraw/zinc/37/35/63/626373563.db2.gz GFZKMSBRKPUXEG-AWEZNQCLSA-N 0 0 322.518 3.497 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(C)(C)C(F)F ZINC000839920819 626373632 /nfs/dbraw/zinc/37/36/32/626373632.db2.gz FKCDNYKJDKTLPJ-GFCCVEGCSA-N 0 0 312.404 3.400 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H](C)C(F)(F)F ZINC000839919790 626373721 /nfs/dbraw/zinc/37/37/21/626373721.db2.gz TUZOODMRVLDBDX-NEPJUHHUSA-N 0 0 316.367 3.307 20 10 DGCDRN COC1(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CCCC1 ZINC000839921701 626374021 /nfs/dbraw/zinc/37/40/21/626374021.db2.gz LYIHATWJCJIFLD-HNNXBMFYSA-N 0 0 318.461 3.067 20 10 DGCDRN COC[C@H](C)[C@@H](C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839921552 626374065 /nfs/dbraw/zinc/37/40/65/626374065.db2.gz KZKKKULYBNUAAV-HRCADAONSA-N 0 0 320.477 3.027 20 10 DGCDRN COc1ccc(O)c([C@@H](C)Nc2nc([C@@H](C)OC)ns2)c1 ZINC000800848777 626379080 /nfs/dbraw/zinc/37/90/80/626379080.db2.gz CHOSZWZBBXMQTI-RKDXNWHRSA-N 0 0 309.391 3.133 20 10 DGCDRN COc1cc(C)cc(CN2CCOc3cccc(F)c3C2)c1O ZINC000800855546 626379802 /nfs/dbraw/zinc/37/98/02/626379802.db2.gz JUOOASBSJGRGPB-UHFFFAOYSA-N 0 0 317.360 3.243 20 10 DGCDRN CCCCN(Cc1ccccc1O)c1cc(Cl)nc(N)n1 ZINC000800887290 626382778 /nfs/dbraw/zinc/38/27/78/626382778.db2.gz NSKAAQDITITXDF-UHFFFAOYSA-N 0 0 306.797 3.225 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](O)C1CCCCC1 ZINC000801548517 626409267 /nfs/dbraw/zinc/40/92/67/626409267.db2.gz WATLXMKPWXFGQT-GOSISDBHSA-N 0 0 319.445 3.462 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCOC[C@H]1C ZINC000801549473 626409278 /nfs/dbraw/zinc/40/92/78/626409278.db2.gz PGPFJLRRRWFLFZ-ZBFHGGJFSA-N 0 0 305.418 3.194 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)CCOCC1CC1 ZINC000801550970 626409638 /nfs/dbraw/zinc/40/96/38/626409638.db2.gz FWMAJEXWCIKEIU-UHFFFAOYSA-N 0 0 305.418 3.338 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cccc(OC)n1 ZINC000801549753 626409656 /nfs/dbraw/zinc/40/96/56/626409656.db2.gz YUTXZBBEGHKKBS-UHFFFAOYSA-N 0 0 314.385 3.238 20 10 DGCDRN CCCCN(Cc1nnc(C2CC2)o1)Cc1ccccc1O ZINC000801597878 626411719 /nfs/dbraw/zinc/41/17/19/626411719.db2.gz QBZLWIFXAPVETN-UHFFFAOYSA-N 0 0 301.390 3.455 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCOC[C@H]1C ZINC000802304660 626558532 /nfs/dbraw/zinc/55/85/32/626558532.db2.gz JGRYFCCKJNAKMH-GDBMZVCRSA-N 0 0 320.433 3.129 20 10 DGCDRN COC(=O)Nc1ccc(NCc2c(O)cccc2OC)cc1F ZINC000802647316 626564577 /nfs/dbraw/zinc/56/45/77/626564577.db2.gz BQBFJBODGNEUQP-UHFFFAOYSA-N 0 0 320.320 3.330 20 10 DGCDRN CCOc1cccc(CN2CCOc3cccc(F)c3C2)c1O ZINC000802656654 626565528 /nfs/dbraw/zinc/56/55/28/626565528.db2.gz SBUGXSAEUMTDOK-UHFFFAOYSA-N 0 0 317.360 3.325 20 10 DGCDRN Cc1oc(C2CC2)nc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000803121300 626595746 /nfs/dbraw/zinc/59/57/46/626595746.db2.gz PFJOIBVPSASCQK-LLVKDONJSA-N 0 0 313.401 3.417 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@@H]1c2ccccc2CC[C@H]1F ZINC000883250116 626624349 /nfs/dbraw/zinc/62/43/49/626624349.db2.gz BKIQIDDMJABHKU-NVXWUHKLSA-N 0 0 314.360 3.217 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)c1ccc(F)cc1[O-] ZINC000883263286 626628579 /nfs/dbraw/zinc/62/85/79/626628579.db2.gz OJXFSUYBTHNECO-ZFWWWQNUSA-N 0 0 323.408 3.158 20 10 DGCDRN C[C@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1ccc(Cl)cc1[O-] ZINC000883275745 626632854 /nfs/dbraw/zinc/63/28/54/626632854.db2.gz AIGPSKUMJCQVHQ-WCQYABFASA-N 0 0 309.793 3.140 20 10 DGCDRN C[C@@]1(c2cccc(N[C@H]3CCc4cccc(O)c43)c2)COC(=O)N1 ZINC000883329666 626649677 /nfs/dbraw/zinc/64/96/77/626649677.db2.gz PHAKZUOGDPBBTG-KXBFYZLASA-N 0 0 324.380 3.447 20 10 DGCDRN CCN1CC[C@@H]1C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000883355415 626658187 /nfs/dbraw/zinc/65/81/87/626658187.db2.gz QHNNQYMZLSGMJE-NXEZZACHSA-N 0 0 303.233 3.444 20 10 DGCDRN CCN1CC[C@@H]1C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000883355596 626658344 /nfs/dbraw/zinc/65/83/44/626658344.db2.gz UXVNSZUMAWGXGT-WDEREUQCSA-N 0 0 302.340 3.156 20 10 DGCDRN C[C@@H]1CN(CN2CCCc3cc(OC(F)F)ccc32)C(=O)[C@H]1C ZINC000840037959 626666564 /nfs/dbraw/zinc/66/65/64/626666564.db2.gz ZJBAXZBBECGTOK-NEPJUHHUSA-N 0 0 324.371 3.113 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2c3ccccc3CC[C@H]2F)c1 ZINC000883382202 626667646 /nfs/dbraw/zinc/66/76/46/626667646.db2.gz BGBGYBDFZBFJDL-WBVHZDCISA-N 0 0 316.332 3.416 20 10 DGCDRN CN(C)c1ccc(CNc2nc(C(F)(F)F)ns2)cc1 ZINC000804330387 626670278 /nfs/dbraw/zinc/67/02/78/626670278.db2.gz UMUSHWSMEKQRDE-UHFFFAOYSA-N 0 0 302.325 3.235 20 10 DGCDRN O=C(/C=C/c1cncc(O)c1)N1CCc2cc(Cl)ccc21 ZINC000804347059 626671749 /nfs/dbraw/zinc/67/17/49/626671749.db2.gz DGJWNYPFWAFBHC-DAFODLJHSA-N 0 0 300.745 3.043 20 10 DGCDRN O=C(NCCCSc1nccs1)N1CCC[C@H](CF)C1 ZINC000883517218 626696152 /nfs/dbraw/zinc/69/61/52/626696152.db2.gz RFHNIPNHFOHILK-LLVKDONJSA-N 0 0 317.455 3.016 20 10 DGCDRN C[C@H](Nc1nnc(-c2ccon2)s1)c1ccc(N(C)C)cc1 ZINC000804621813 626698690 /nfs/dbraw/zinc/69/86/90/626698690.db2.gz HPRZPEFUKOCLEF-JTQLQIEISA-N 0 0 315.402 3.432 20 10 DGCDRN CC[C@@H]([NH2+][C@H](CCO)CSC)c1cccc(Cl)c1[O-] ZINC000806139443 626701620 /nfs/dbraw/zinc/70/16/20/626701620.db2.gz AOHCBJOULBEIHJ-ZWNOBZJWSA-N 0 0 303.855 3.200 20 10 DGCDRN CC[C@H]([NH2+]CC1(OC)CCOCC1)c1cccc(Cl)c1[O-] ZINC000806149462 626702456 /nfs/dbraw/zinc/70/24/56/626702456.db2.gz SYPMAVCOYBFGJX-AWEZNQCLSA-N 0 0 313.825 3.282 20 10 DGCDRN Nc1ccc(NC(=O)N2CCCC[C@@H](C3CCOCC3)C2)cc1 ZINC000883569626 626706882 /nfs/dbraw/zinc/70/68/82/626706882.db2.gz DZYKSJLRBWDXGI-OAHLLOKOSA-N 0 0 317.433 3.329 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N[C@H]3CCCC3(F)F)ccc21 ZINC000806635040 626728701 /nfs/dbraw/zinc/72/87/01/626728701.db2.gz NMIXXYAHIDJSBP-HNNXBMFYSA-N 0 0 323.387 3.056 20 10 DGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cccnc1F ZINC000806665981 626730174 /nfs/dbraw/zinc/73/01/74/626730174.db2.gz JGLJXOJSUZJTKA-UHFFFAOYSA-N 0 0 313.376 3.141 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CCCSC1 ZINC000806821421 626735784 /nfs/dbraw/zinc/73/57/84/626735784.db2.gz MFIAJJSWEPJOGD-CQSZACIVSA-N 0 0 321.490 3.003 20 10 DGCDRN CON(CC(C)(C)C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000807142182 626747486 /nfs/dbraw/zinc/74/74/86/626747486.db2.gz ZZJOEXIYFNIIRJ-ZDUSSCGKSA-N 0 0 307.438 3.433 20 10 DGCDRN Cc1cc(C(=O)N[C@H]2CCCC2(F)F)c(C)n1-c1ccccn1 ZINC000807853301 626772485 /nfs/dbraw/zinc/77/24/85/626772485.db2.gz FLWJVZMRHFRDKX-AWEZNQCLSA-N 0 0 319.355 3.407 20 10 DGCDRN FC(F)Oc1nccnc1NCc1ccc(N2CCCC2)cc1 ZINC000807925799 626778203 /nfs/dbraw/zinc/77/82/03/626778203.db2.gz VNQHHUJMXPUMRX-UHFFFAOYSA-N 0 0 320.343 3.290 20 10 DGCDRN CCSCCCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000800000907 626790037 /nfs/dbraw/zinc/79/00/37/626790037.db2.gz LCVHONAGFYQARS-UHFFFAOYSA-N 0 0 322.474 3.213 20 10 DGCDRN C[C@H]1CCN(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000800012706 626791653 /nfs/dbraw/zinc/79/16/53/626791653.db2.gz OOUMURDICYLEIV-AWEZNQCLSA-N 0 0 301.434 3.179 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc2[nH]ccc21 ZINC000808093700 626792196 /nfs/dbraw/zinc/79/21/96/626792196.db2.gz UTIAUDPXVYEOMQ-UHFFFAOYSA-N 0 0 315.369 3.289 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(F)c(F)c1 ZINC000808095541 626792446 /nfs/dbraw/zinc/79/24/46/626792446.db2.gz ITGHHAOAWGMAQM-UHFFFAOYSA-N 0 0 312.312 3.086 20 10 DGCDRN Nc1ccc(CCNC(=O)CC[C@@H]2CCc3ccccc32)cc1 ZINC000884028279 626798033 /nfs/dbraw/zinc/79/80/33/626798033.db2.gz BZPVOTAVWNYKJV-KRWDZBQOSA-N 0 0 308.425 3.438 20 10 DGCDRN CO[C@H](C)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000800046634 626798752 /nfs/dbraw/zinc/79/87/52/626798752.db2.gz ANCIQRNANDBKAI-QWHCGFSZSA-N 0 0 324.852 3.227 20 10 DGCDRN Cc1cc(C(=O)NCc2oc(C)nc2C)c(C)n1-c1ccccn1 ZINC000808192864 626805459 /nfs/dbraw/zinc/80/54/59/626805459.db2.gz GEKNQZPQFCZDOS-UHFFFAOYSA-N 0 0 324.384 3.024 20 10 DGCDRN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCc3c[nH]nc3C2)c1O ZINC000808701790 626851050 /nfs/dbraw/zinc/85/10/50/626851050.db2.gz IRFJNAOPXYMFIN-GXFFZTMASA-N 0 0 305.809 3.285 20 10 DGCDRN CCc1nnc([C@@H](C)N[C@H](C)c2cc(Cl)cc(C)c2O)[nH]1 ZINC000808710217 626852604 /nfs/dbraw/zinc/85/26/04/626852604.db2.gz MWDCCOLTWNPQCY-NXEZZACHSA-N 0 0 308.813 3.446 20 10 DGCDRN COc1ccc(N2CC[C@@H](Nc3nccc4cccnc43)C2)cc1 ZINC000884551646 626901963 /nfs/dbraw/zinc/90/19/63/626901963.db2.gz GBAOMTLRRZMAAH-OAHLLOKOSA-N 0 0 320.396 3.329 20 10 DGCDRN CN(Cc1nc(-c2cccs2)no1)Cc1cc(F)ccc1O ZINC000809688045 626936934 /nfs/dbraw/zinc/93/69/34/626936934.db2.gz ZINCOANAERCXEJ-UHFFFAOYSA-N 0 0 319.361 3.275 20 10 DGCDRN CN(C)c1ccc(CN(Cc2cn[nH]c2)Cc2ccco2)cc1 ZINC000809731377 626943082 /nfs/dbraw/zinc/94/30/82/626943082.db2.gz GZPFEYLKJCMKMN-UHFFFAOYSA-N 0 0 310.401 3.271 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC(=O)CC[C@H]1C ZINC000885095718 626976571 /nfs/dbraw/zinc/97/65/71/626976571.db2.gz SQBVSPAXVVUECS-LLVKDONJSA-N 0 0 316.426 3.349 20 10 DGCDRN C[C@H](NC(=O)Nc1ccn2ccnc2c1)c1ccc(N(C)C)cc1 ZINC000810229074 626990310 /nfs/dbraw/zinc/99/03/10/626990310.db2.gz RJBPJYOBQGPMTD-ZDUSSCGKSA-N 0 0 323.400 3.283 20 10 DGCDRN CCCN(CC)C[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000810263506 626994568 /nfs/dbraw/zinc/99/45/68/626994568.db2.gz OJCSKVUDFYVQDN-NWDGAFQWSA-N 0 0 300.393 3.441 20 10 DGCDRN CC[C@@H](C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-])OC ZINC000810260727 626994785 /nfs/dbraw/zinc/99/47/85/626994785.db2.gz NMKOYKWIVSMHFN-BDAKNGLRSA-N 0 0 320.202 3.369 20 10 DGCDRN CC[C@@H](C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])OC ZINC000810260729 626994947 /nfs/dbraw/zinc/99/49/47/626994947.db2.gz NMKOYKWIVSMHFN-IUCAKERBSA-N 0 0 320.202 3.369 20 10 DGCDRN COC(=O)c1cnc(SCC(=O)CCc2ccccc2)s1 ZINC000840210088 627048769 /nfs/dbraw/zinc/04/87/69/627048769.db2.gz NHLAYYTUTUKAHX-UHFFFAOYSA-N 0 0 321.423 3.224 20 10 DGCDRN Cc1cccc(N2CCN(C(=O)Nc3ccc(N)cc3)CC2)c1C ZINC000217313669 627053593 /nfs/dbraw/zinc/05/35/93/627053593.db2.gz WDUKJYJXKHIQPZ-UHFFFAOYSA-N 0 0 324.428 3.240 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OC[C@@]1(F)CCOC1 ZINC000810925425 627067489 /nfs/dbraw/zinc/06/74/89/627067489.db2.gz HFYZZQMLEOOCSK-MRXNPFEDSA-N 0 0 323.389 3.441 20 10 DGCDRN COc1ccccc1OCC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886491895 627152261 /nfs/dbraw/zinc/15/22/61/627152261.db2.gz VUZVEZLEMXXEIY-GFCCVEGCSA-N 0 0 305.349 3.270 20 10 DGCDRN Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886528153 627157325 /nfs/dbraw/zinc/15/73/25/627157325.db2.gz HVPIGANRSQYFAW-YGRLFVJLSA-N 0 0 301.365 3.358 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1c([O-])cccc1F ZINC000886526372 627157441 /nfs/dbraw/zinc/15/74/41/627157441.db2.gz LHOPDKCAWGOSDP-NWDGAFQWSA-N 0 0 324.396 3.191 20 10 DGCDRN Cc1cccn2cc(CC[NH2+][C@H](C)c3c([O-])cccc3F)nc12 ZINC000886534500 627158201 /nfs/dbraw/zinc/15/82/01/627158201.db2.gz JQTIZMZYFJSNOO-CYBMUJFWSA-N 0 0 313.376 3.381 20 10 DGCDRN C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886547545 627160844 /nfs/dbraw/zinc/16/08/44/627160844.db2.gz NBKJJMXDPSHKNI-WWGRRREGSA-N 0 0 303.377 3.347 20 10 DGCDRN C[C@H]([NH2+]CCOc1ncccc1Cl)c1c([O-])cccc1F ZINC000886552346 627161793 /nfs/dbraw/zinc/16/17/93/627161793.db2.gz ZPVOEIRWHVEUQW-JTQLQIEISA-N 0 0 310.756 3.309 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1c([O-])cccc1F ZINC000886551598 627161943 /nfs/dbraw/zinc/16/19/43/627161943.db2.gz KOQNRYRESHWTLC-WFASDCNBSA-N 0 0 320.408 3.116 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)[C@@H](O)Cc1ccccc1 ZINC000886553439 627162057 /nfs/dbraw/zinc/16/20/57/627162057.db2.gz NFSUDLPDIWEGCV-IGCXYCKISA-N 0 0 303.377 3.174 20 10 DGCDRN C[C@@H]([NH2+]CCc1cnc(C2CC2)nc1)c1c([O-])cccc1F ZINC000886557299 627162691 /nfs/dbraw/zinc/16/26/91/627162691.db2.gz XWFKCKNXEUEWRB-LLVKDONJSA-N 0 0 301.365 3.092 20 10 DGCDRN COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C)c2c([O-])cccc2F)C1 ZINC000886593912 627169505 /nfs/dbraw/zinc/16/95/05/627169505.db2.gz BOCMNCKOLOLDIW-AVGNSLFASA-N 0 0 324.396 3.049 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1c([O-])cccc1F ZINC000886626492 627176227 /nfs/dbraw/zinc/17/62/27/627176227.db2.gz CXFKMKUVARQCMG-YPMHNXCESA-N 0 0 307.340 3.097 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)c1c([O-])cccc1F ZINC000886649560 627180597 /nfs/dbraw/zinc/18/05/97/627180597.db2.gz DGLLMXJUWKJAGF-KBPBESRZSA-N 0 0 323.408 3.158 20 10 DGCDRN CC[C@H]([NH2+][C@H](CO)C[C@@H]1CCCO1)c1cccc(Cl)c1[O-] ZINC000886670386 627185747 /nfs/dbraw/zinc/18/57/47/627185747.db2.gz NWTLAAHDIXNGIK-HUBLWGQQSA-N 0 0 313.825 3.016 20 10 DGCDRN C[C@@H]([NH2+]CC[C@@H]1CC(C)(C)CO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000886717978 627197369 /nfs/dbraw/zinc/19/73/69/627197369.db2.gz NHDOPNZTVAHLSN-DGCLKSJQSA-N 0 0 308.378 3.156 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)[C@H]2C)O1)c1ccc(F)cc1[O-] ZINC000886771735 627203331 /nfs/dbraw/zinc/20/33/31/627203331.db2.gz MQANDXYOKKCDJF-MLOIPWKLSA-N 0 0 323.408 3.155 20 10 DGCDRN Nc1ccc([N+](=O)[O-])c(NCc2c(O)ccc3c2CCCC3)c1 ZINC000811809118 627323851 /nfs/dbraw/zinc/32/38/51/627323851.db2.gz YIIVAEOZSINJGW-UHFFFAOYSA-N 0 0 313.357 3.374 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CC(C)(C)[C@H]2C2CC2)cc1F ZINC000812017871 627348142 /nfs/dbraw/zinc/34/81/42/627348142.db2.gz KTGILLJBGJUOKU-MRXNPFEDSA-N 0 0 319.424 3.222 20 10 DGCDRN CO[C@@H](C)[C@@H](C)NC(=O)c1sccc1-n1c(C)ccc1C ZINC000812347304 627373179 /nfs/dbraw/zinc/37/31/79/627373179.db2.gz JVYLYUMSTRRNPU-OLZOCXBDSA-N 0 0 306.431 3.309 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@](C)(OC)C2CC2)cc1 ZINC000812453884 627388342 /nfs/dbraw/zinc/38/83/42/627388342.db2.gz WRQOLLSXAYDENP-LJQANCHMSA-N 0 0 318.461 3.306 20 10 DGCDRN CC(C)[C@H](O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000813425539 627488823 /nfs/dbraw/zinc/48/88/23/627488823.db2.gz ODAKEUHXQFTCGA-SFHVURJKSA-N 0 0 318.461 3.089 20 10 DGCDRN Cc1cc(C(=O)NCc2cn(C)cn2)c(C)n1-c1ccccc1C ZINC000890119806 627505159 /nfs/dbraw/zinc/50/51/59/627505159.db2.gz OBNITGVUEGIDIK-UHFFFAOYSA-N 0 0 322.412 3.066 20 10 DGCDRN CNC(=O)Oc1cccc(NCc2cc(C)c(C)cc2O)c1 ZINC000813791508 627512364 /nfs/dbraw/zinc/51/23/64/627512364.db2.gz JSQPXZHDAKEYAU-UHFFFAOYSA-N 0 0 300.358 3.339 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCC1CC1 ZINC000840310540 627532868 /nfs/dbraw/zinc/53/28/68/627532868.db2.gz LKAZKQHZZOTNAJ-CQSZACIVSA-N 0 0 303.450 3.091 20 10 DGCDRN OC[C@H]1Cc2ccccc2N(Cc2cc(Cl)cc(F)c2O)C1 ZINC000814169762 627545794 /nfs/dbraw/zinc/54/57/94/627545794.db2.gz MNDYMCTYMHCHRD-NSHDSACASA-N 0 0 321.779 3.356 20 10 DGCDRN CC(C)[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])C1(CO)CCC1 ZINC000814171602 627546012 /nfs/dbraw/zinc/54/60/12/627546012.db2.gz RLESWEFIKJQDCK-OAHLLOKOSA-N 0 0 315.816 3.462 20 10 DGCDRN C[C@@H](Nc1ncnc2c1ncn2C1CC1)c1ccc(N(C)C)cc1 ZINC000814259613 627555328 /nfs/dbraw/zinc/55/53/28/627555328.db2.gz UVMILGFVWDJJCR-GFCCVEGCSA-N 0 0 322.416 3.400 20 10 DGCDRN CCOc1cccc(CNc2ccc(F)c(NC(N)=O)c2)c1O ZINC000814300063 627557833 /nfs/dbraw/zinc/55/78/33/627557833.db2.gz GKACLYKUZBFFCJ-UHFFFAOYSA-N 0 0 319.336 3.033 20 10 DGCDRN CO[C@H]1CCC[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000814405515 627562931 /nfs/dbraw/zinc/56/29/31/627562931.db2.gz MRWNQDUVFKMNKD-WMZOPIPTSA-N 0 0 316.445 3.108 20 10 DGCDRN CO[C@@H]1CCC[C@@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000814415584 627563677 /nfs/dbraw/zinc/56/36/77/627563677.db2.gz WNGBWSOTMJJXRC-YSVLISHTSA-N 0 0 304.434 3.135 20 10 DGCDRN Cc1ncc(/C=C\C(=O)N2CCc3c2c(F)ccc3F)s1 ZINC000814428410 627564689 /nfs/dbraw/zinc/56/46/89/627564689.db2.gz XFMAPTOHSYTFFA-DJWKRKHSSA-N 0 0 306.337 3.332 20 10 DGCDRN C[C@H](NCc1nnc(C(C)(C)C)[nH]1)c1ccc(N(C)C)cc1 ZINC000814632007 627580907 /nfs/dbraw/zinc/58/09/07/627580907.db2.gz VPKNUUHEOUJFCL-LBPRGKRZSA-N 0 0 301.438 3.019 20 10 DGCDRN CCc1ccc(CN(C)c2cc(OC)c(OC)c(OC)c2)nc1 ZINC000815053361 627619794 /nfs/dbraw/zinc/61/97/94/627619794.db2.gz PVSIITYDKJYVRN-UHFFFAOYSA-N 0 0 316.401 3.306 20 10 DGCDRN Cc1cc(CN2CCO[C@@H](c3ccco3)C2)ccc1N(C)C ZINC000815060176 627620155 /nfs/dbraw/zinc/62/01/55/627620155.db2.gz QAXVCNIDULKIRY-GOSISDBHSA-N 0 0 300.402 3.228 20 10 DGCDRN CCN(CC)c1ccc(CNCc2cnn(C)c2Cl)cc1 ZINC000815115029 627628245 /nfs/dbraw/zinc/62/82/45/627628245.db2.gz DOZBIYAKGSDCHY-UHFFFAOYSA-N 0 0 306.841 3.210 20 10 DGCDRN Cc1cc(CN2C[C@@H](C(F)(F)F)OC[C@@H]2C)ccc1N(C)C ZINC000815116358 627629192 /nfs/dbraw/zinc/62/91/92/627629192.db2.gz KFYPVJSQTMTCSA-WFASDCNBSA-N 0 0 316.367 3.213 20 10 DGCDRN CC(C)n1cc([C@@H](C)NCc2ccc(N3CCCC3)cc2)nn1 ZINC000924646545 627662219 /nfs/dbraw/zinc/66/22/19/627662219.db2.gz CAXQBZBIQDBGTQ-OAHLLOKOSA-N 0 0 313.449 3.310 20 10 DGCDRN CC(C)=CC[C@H]1NC(=O)N([C@@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000924714394 627672106 /nfs/dbraw/zinc/67/21/06/627672106.db2.gz BZAQIZVVUHTPRZ-XJKSGUPXSA-N 0 0 315.417 3.090 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)c3cc(F)c[nH]3)cc2)CC1 ZINC000815523851 627683145 /nfs/dbraw/zinc/68/31/45/627683145.db2.gz YTCXYTDUVOBQFM-UHFFFAOYSA-N 0 0 315.392 3.320 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000815562155 627684778 /nfs/dbraw/zinc/68/47/78/627684778.db2.gz YNUXXUAMJBPNJY-YGRLFVJLSA-N 0 0 316.367 3.402 20 10 DGCDRN CSC[C@H](CCO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815582817 627687578 /nfs/dbraw/zinc/68/75/78/627687578.db2.gz PRTPLFXOPVXKEZ-ZJUUUORDSA-N 0 0 323.380 3.176 20 10 DGCDRN CC(C)[C@@H](CCO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815584152 627687739 /nfs/dbraw/zinc/68/77/39/627687739.db2.gz WUEMOLCHDAJOLT-ZWNOBZJWSA-N 0 0 305.340 3.469 20 10 DGCDRN CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815583041 627687817 /nfs/dbraw/zinc/68/78/17/627687817.db2.gz VNHUGXZMNCUXPU-YGOYTEALSA-N 0 0 323.380 3.174 20 10 DGCDRN O=C(NCCCSc1nccs1)c1sccc1F ZINC000815590563 627688552 /nfs/dbraw/zinc/68/85/52/627688552.db2.gz AGSUSWSNYMMRDT-UHFFFAOYSA-N 0 0 302.421 3.256 20 10 DGCDRN C[C@@H]([NH2+][C@@H](CCO)C1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815594761 627689294 /nfs/dbraw/zinc/68/92/94/627689294.db2.gz XMWNUPAIEKBQCQ-RNCFNFMXSA-N 0 0 303.324 3.223 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1cccc(C(F)(F)F)c1[O-] ZINC000815621570 627691858 /nfs/dbraw/zinc/69/18/58/627691858.db2.gz XPAPSGYRVDIIBG-GBIKHYSHSA-N 0 0 303.324 3.487 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ncccc1Cl ZINC000815836051 627707062 /nfs/dbraw/zinc/70/70/62/627707062.db2.gz OQJSOLZFZXMTMX-UHFFFAOYSA-N 0 0 316.788 3.249 20 10 DGCDRN C[C@H](NC(=O)[C@@H]1CCc2cccc(O)c21)c1ccc(N(C)C)cc1 ZINC000816180116 627749807 /nfs/dbraw/zinc/74/98/07/627749807.db2.gz FURLEZLTLFRCCW-SUMWQHHRSA-N 0 0 324.424 3.365 20 10 DGCDRN C[C@@H](NC(=O)[C@@H]1CCc2cccc(O)c21)c1ccc(N(C)C)cc1 ZINC000816180113 627749948 /nfs/dbraw/zinc/74/99/48/627749948.db2.gz FURLEZLTLFRCCW-CXAGYDPISA-N 0 0 324.424 3.365 20 10 DGCDRN Cc1ccc(NCc2cc(Cl)c(F)cc2O)cc1C(N)=O ZINC000816526814 627802095 /nfs/dbraw/zinc/80/20/95/627802095.db2.gz PSIKMZWZFXQDJR-UHFFFAOYSA-N 0 0 308.740 3.204 20 10 DGCDRN CNC(=O)c1ccc(C)c(NCc2cc(Cl)c(F)cc2O)c1 ZINC000816525552 627802695 /nfs/dbraw/zinc/80/26/95/627802695.db2.gz YPQCJGQUCIWDRF-UHFFFAOYSA-N 0 0 322.767 3.465 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000816551298 627805836 /nfs/dbraw/zinc/80/58/36/627805836.db2.gz WLJPMDKXNZIASC-CQSZACIVSA-N 0 0 313.731 3.147 20 10 DGCDRN O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816548847 627806190 /nfs/dbraw/zinc/80/61/90/627806190.db2.gz UUKPHSNIEDEUDG-UHFFFAOYSA-N 0 0 324.739 3.425 20 10 DGCDRN COC1CCC(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816555567 627806691 /nfs/dbraw/zinc/80/66/91/627806691.db2.gz JFLJWEYJJAJCPL-UHFFFAOYSA-N 0 0 301.789 3.480 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H](CO)c1ccsc1 ZINC000816571322 627810314 /nfs/dbraw/zinc/81/03/14/627810314.db2.gz ZPUHTFRSADZHIR-LBPRGKRZSA-N 0 0 301.770 3.069 20 10 DGCDRN C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816608639 627814192 /nfs/dbraw/zinc/81/41/92/627814192.db2.gz FPDHZYCWPNUNEN-DGCLKSJQSA-N 0 0 312.816 3.243 20 10 DGCDRN CC1(C)CN(Cc2ccccc2O)C[C@](C)(C(F)(F)F)O1 ZINC000816643073 627818192 /nfs/dbraw/zinc/81/81/92/627818192.db2.gz UJUQRVIZZAXKCG-CQSZACIVSA-N 0 0 303.324 3.324 20 10 DGCDRN CC(C)[C@@]1(CO)CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816662579 627821574 /nfs/dbraw/zinc/82/15/74/627821574.db2.gz SBRIQYCSUSYCKH-INIZCTEOSA-N 0 0 315.816 3.415 20 10 DGCDRN Cc1cc(Cl)cc(CN2C[C@@]3(CCCO3)[C@H]2C2CC2)c1O ZINC000816666002 627822776 /nfs/dbraw/zinc/82/27/76/627822776.db2.gz BPDCOODJUAGWLO-SJORKVTESA-N 0 0 307.821 3.497 20 10 DGCDRN Cc1cc(C(=O)N2Cc3c[nH]nc3C2)c(C)n1-c1ccccc1C ZINC000816705349 627825078 /nfs/dbraw/zinc/82/50/78/627825078.db2.gz CLASAMGMZWSRRL-UHFFFAOYSA-N 0 0 320.396 3.282 20 10 DGCDRN COc1ncc(/C=C/C(=O)N2CC(C)(C)Cc3ccccc32)cn1 ZINC000816902622 627838356 /nfs/dbraw/zinc/83/83/56/627838356.db2.gz YQTGLFYQPGUCST-CMDGGOBGSA-N 0 0 323.396 3.114 20 10 DGCDRN C[C@H](COCC1CCCCC1)NC(=O)Nc1ccc(N)cc1 ZINC000926141936 627850203 /nfs/dbraw/zinc/85/02/03/627850203.db2.gz FVPDQPAUGLPCDH-CYBMUJFWSA-N 0 0 305.422 3.376 20 10 DGCDRN Cc1ccc(C(=O)N2CCC[C@@H](c3ccccc3)C2)c(O)c1O ZINC000817115330 627856104 /nfs/dbraw/zinc/85/61/04/627856104.db2.gz VQBWGEQILKVUQF-OAHLLOKOSA-N 0 0 311.381 3.426 20 10 DGCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1csnn1 ZINC000817295512 627878897 /nfs/dbraw/zinc/87/88/97/627878897.db2.gz JKWZCFRUMVSHRL-ZDUSSCGKSA-N 0 0 303.431 3.382 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cc(CC)n(C)n1 ZINC000817340995 627885784 /nfs/dbraw/zinc/88/57/84/627885784.db2.gz XHUDFDMJZNJSLM-UHFFFAOYSA-N 0 0 316.405 3.132 20 10 DGCDRN Clc1cc(OCCC2OCCO2)ccc1N1CCCCC1 ZINC000817381076 627891132 /nfs/dbraw/zinc/89/11/32/627891132.db2.gz CKZDFAJIZPIBCT-UHFFFAOYSA-N 0 0 311.809 3.472 20 10 DGCDRN Cn1cc(COc2ccc(N3CCCCC3)c(Cl)c2)nn1 ZINC000817381237 627892029 /nfs/dbraw/zinc/89/20/29/627892029.db2.gz DEAKLHPMBQFOJJ-UHFFFAOYSA-N 0 0 306.797 3.038 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@]1(C)CC1(F)F ZINC000817458238 627905903 /nfs/dbraw/zinc/90/59/03/627905903.db2.gz WKFSYWFGZNUQBP-BLLLJJGKSA-N 0 0 310.388 3.154 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@]1(C)CC1(F)F ZINC000817458242 627906010 /nfs/dbraw/zinc/90/60/10/627906010.db2.gz WKFSYWFGZNUQBP-MLGOLLRUSA-N 0 0 310.388 3.154 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@]1(C)CC1(F)F ZINC000817458240 627906060 /nfs/dbraw/zinc/90/60/60/627906060.db2.gz WKFSYWFGZNUQBP-LRDDRELGSA-N 0 0 310.388 3.154 20 10 DGCDRN COc1ccc(CNC(=O)c2ccc(C(C)(C)C)cn2)c(O)c1 ZINC000817598817 627928667 /nfs/dbraw/zinc/92/86/67/627928667.db2.gz GDPLTCMRSHUSJC-UHFFFAOYSA-N 0 0 314.385 3.023 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](C)c1ccnn1C ZINC000817599414 627928689 /nfs/dbraw/zinc/92/86/89/627928689.db2.gz FGRXWZHKJVUDDB-CQSZACIVSA-N 0 0 315.417 3.058 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@@H]3CCOC[C@@H]3C)cc12 ZINC000817760479 627946934 /nfs/dbraw/zinc/94/69/34/627946934.db2.gz CEUDKUSVTQSADM-XHDPSFHLSA-N 0 0 301.386 3.373 20 10 DGCDRN CCC(C)(C)NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817903462 627957407 /nfs/dbraw/zinc/95/74/07/627957407.db2.gz CWNIRNKSMLBBCO-UHFFFAOYSA-N 0 0 303.431 3.235 20 10 DGCDRN CCC(CC)CNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817909950 627959777 /nfs/dbraw/zinc/95/97/77/627959777.db2.gz DRXCIKAJAYQGAP-UHFFFAOYSA-N 0 0 317.458 3.482 20 10 DGCDRN CC(C)CCCNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817913465 627960705 /nfs/dbraw/zinc/96/07/05/627960705.db2.gz PLQDLKMFOAQPCD-UHFFFAOYSA-N 0 0 317.458 3.482 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CCCCN1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817949371 627971223 /nfs/dbraw/zinc/97/12/23/627971223.db2.gz JWVDKHVQLMCGHJ-UWVGGRQHSA-N 0 0 303.233 3.492 20 10 DGCDRN CC[C@H]([NH2+]C[C@H]1NCCc2ccccc21)c1ccc(F)cc1[O-] ZINC000817975043 627981063 /nfs/dbraw/zinc/98/10/63/627981063.db2.gz QELIMCMMCJZYIW-ZWKOTPCHSA-N 0 0 314.404 3.459 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1c([O-])cccc1F ZINC000926928392 627983580 /nfs/dbraw/zinc/98/35/80/627983580.db2.gz ZKXLYAQESHJFCK-QMMMGPOBSA-N 0 0 317.286 3.134 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000926951614 627988477 /nfs/dbraw/zinc/98/84/77/627988477.db2.gz SFAVUWVBEHOSOT-DKCNOQQISA-N 0 0 304.268 3.149 20 10 DGCDRN CC[C@@H]([NH2+]CC1CC2(C1)OCCO2)c1cccc(Cl)c1[O-] ZINC000927002399 627995419 /nfs/dbraw/zinc/99/54/19/627995419.db2.gz VFHDLRQJCGGZLV-CQSZACIVSA-N 0 0 311.809 3.239 20 10 DGCDRN CCc1noc([C@@H]2CC[C@@H]([NH2+][C@@H](C)c3c([O-])cccc3F)C2)n1 ZINC000927054523 628003653 /nfs/dbraw/zinc/00/36/53/628003653.db2.gz VRTCQNVMNZDFPB-QJPTWQEYSA-N 0 0 319.380 3.464 20 10 DGCDRN OCCOCc1ccc(NCc2cc(Cl)ccc2O)cc1 ZINC000818234337 628007681 /nfs/dbraw/zinc/00/76/81/628007681.db2.gz XPDOONSFKVWEFM-UHFFFAOYSA-N 0 0 307.777 3.167 20 10 DGCDRN CC(C)OCC(C)(C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000840355185 628007723 /nfs/dbraw/zinc/00/77/23/628007723.db2.gz YGYBRJPDMHCSIP-AWEZNQCLSA-N 0 0 321.465 3.316 20 10 DGCDRN C[C@@H]([NH2+]CCO[C@H]1CCOC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000927080408 628009721 /nfs/dbraw/zinc/00/97/21/628009721.db2.gz IYQVOSYMUXKHDX-ZJUUUORDSA-N 0 0 320.216 3.155 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CC12CC2)c1cc(Br)cc(F)c1[O-] ZINC000818355895 628017625 /nfs/dbraw/zinc/01/76/25/628017625.db2.gz KYMRFEMVHOXJFZ-HQJQHLMTSA-N 0 0 300.171 3.497 20 10 DGCDRN C[C@H](Nc1ccc(COCCO)cc1)c1ccc(F)cc1O ZINC000818360909 628018741 /nfs/dbraw/zinc/01/87/41/628018741.db2.gz CZFGFBMCDWAUDC-LBPRGKRZSA-N 0 0 305.349 3.213 20 10 DGCDRN CCC(CC)n1nc(C(=O)NCCc2ccc(N)cc2)cc1C ZINC000818544884 628033528 /nfs/dbraw/zinc/03/35/28/628033528.db2.gz VQXCGBNRSFKERG-UHFFFAOYSA-N 0 0 314.433 3.107 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1CCCc2cccnc21 ZINC000927384951 628056957 /nfs/dbraw/zinc/05/69/57/628056957.db2.gz DJWCXFKGLUOMDP-HNNXBMFYSA-N 0 0 311.385 3.006 20 10 DGCDRN CSC1CCC(CNC(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000927387109 628057739 /nfs/dbraw/zinc/05/77/39/628057739.db2.gz ZBYUDQNYTGGDFE-UITAMQMPSA-N 0 0 321.442 3.149 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)/C=C\[C@@H]2CCCO2)cc1 ZINC000819040305 628081729 /nfs/dbraw/zinc/08/17/29/628081729.db2.gz ZJCWDOOCYJIUEI-SQVRQVGWSA-N 0 0 316.445 3.226 20 10 DGCDRN C[C@@H](NC(=O)NCC[C@H]1CCC2(CCC2)O1)c1ccccc1O ZINC000927748681 628097784 /nfs/dbraw/zinc/09/77/84/628097784.db2.gz XOJPLQOLIDFEPH-ZIAGYGMSSA-N 0 0 318.417 3.244 20 10 DGCDRN CC(C)=CCC[C@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819170029 628105027 /nfs/dbraw/zinc/10/50/27/628105027.db2.gz SBBUAWCSUMESMC-AWEZNQCLSA-N 0 0 316.401 3.291 20 10 DGCDRN CC(C)(C)C(C)(C)CN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819169996 628105049 /nfs/dbraw/zinc/10/50/49/628105049.db2.gz RAYZKYVBFISHEK-UHFFFAOYSA-N 0 0 318.417 3.229 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)CCC(C)C)C2)cc1 ZINC000819580668 628171537 /nfs/dbraw/zinc/17/15/37/628171537.db2.gz MVNDEQGOIRFSLZ-OAHLLOKOSA-N 0 0 304.434 3.074 20 10 DGCDRN CC/C(C)=C(\C)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819586335 628171617 /nfs/dbraw/zinc/17/16/17/628171617.db2.gz NPLAGBOCSVNPTA-IYOXOMEYSA-N 0 0 316.445 3.384 20 10 DGCDRN CCC[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819592023 628171960 /nfs/dbraw/zinc/17/19/60/628171960.db2.gz ZYXXZAVWGUFOIT-HDMKZQKVSA-N 0 0 316.445 3.074 20 10 DGCDRN CC[C@@H](C)CC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819589943 628172046 /nfs/dbraw/zinc/17/20/46/628172046.db2.gz UWIUFFBEHAKVGM-CABCVRRESA-N 0 0 304.434 3.074 20 10 DGCDRN CC[C@@H](C)CCC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819588965 628172289 /nfs/dbraw/zinc/17/22/89/628172289.db2.gz BCORUKUJEUXEAT-HZPDHXFCSA-N 0 0 318.461 3.464 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2C[C@H]2C2CCC2)c(C)n1-c1ccccn1 ZINC000819629239 628174980 /nfs/dbraw/zinc/17/49/80/628174980.db2.gz LXRGWOWZIJZDQC-DLBZAZTESA-N 0 0 309.413 3.408 20 10 DGCDRN CCO[C@H](C)c1ncc(C(=O)NCc2c(O)cccc2F)s1 ZINC000928704567 628178586 /nfs/dbraw/zinc/17/85/86/628178586.db2.gz CFWJKZSWKPTBQS-SECBINFHSA-N 0 0 324.377 3.015 20 10 DGCDRN CCO[C@@H](C)c1ncc(C(=O)NCc2c(O)cccc2F)s1 ZINC000928704568 628178837 /nfs/dbraw/zinc/17/88/37/628178837.db2.gz CFWJKZSWKPTBQS-VIFPVBQESA-N 0 0 324.377 3.015 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@H]1C[C@]12CCc1ccccc12 ZINC000928706748 628179313 /nfs/dbraw/zinc/17/93/13/628179313.db2.gz ZBZVPHFTSVSHQF-BEFAXECRSA-N 0 0 311.356 3.052 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2CC[C@H]2O)c(C)n1-c1ccc(Cl)cc1 ZINC000819684121 628179386 /nfs/dbraw/zinc/17/93/86/628179386.db2.gz QWXHAVQBCXGQSK-HZPDHXFCSA-N 0 0 318.804 3.001 20 10 DGCDRN Cc1nc(C(C)C)ccc1C(=O)NCc1c(O)cccc1F ZINC000928706277 628179680 /nfs/dbraw/zinc/17/96/80/628179680.db2.gz QGIWWIYZESWGCQ-UHFFFAOYSA-N 0 0 302.349 3.288 20 10 DGCDRN CC(C)(C)OC1CC(CC(=O)NCc2c(O)cccc2F)C1 ZINC000928707772 628180098 /nfs/dbraw/zinc/18/00/98/628180098.db2.gz HWLGBLKSXPZULH-UHFFFAOYSA-N 0 0 309.381 3.131 20 10 DGCDRN C[C@H]1C[C@H]1c1ccc(CCC(=O)NCc2c(O)cccc2F)o1 ZINC000928710229 628180308 /nfs/dbraw/zinc/18/03/08/628180308.db2.gz QOMWMRHXBQWRNL-WCQYABFASA-N 0 0 317.360 3.497 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC[C@@H]1C1CC1 ZINC000840394015 628180405 /nfs/dbraw/zinc/18/04/05/628180405.db2.gz LTWWQMYSOVDJBC-GOEBONIOSA-N 0 0 302.418 3.360 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNC(=O)OC3CCCC3)C2)cc1 ZINC000819888505 628196966 /nfs/dbraw/zinc/19/69/66/628196966.db2.gz WVANIANQHXOTKT-AWEZNQCLSA-N 0 0 318.417 3.190 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CC[C@H](OC)C2)cc1 ZINC000819974530 628207759 /nfs/dbraw/zinc/20/77/59/628207759.db2.gz NTEKFEFXEPWFKB-AEFFLSMTSA-N 0 0 318.461 3.306 20 10 DGCDRN CC(C)[C@@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820075874 628221878 /nfs/dbraw/zinc/22/18/78/628221878.db2.gz DXHQGBHLWKJHKN-AWEZNQCLSA-N 0 0 302.378 3.500 20 10 DGCDRN O=C(O[C@H](C(=O)C1CC1)c1ccccc1)C1=CC(=O)CS1 ZINC000820362912 628250248 /nfs/dbraw/zinc/25/02/48/628250248.db2.gz JFKDSZXHZMUPFC-HNNXBMFYSA-N 0 0 302.351 3.331 20 10 DGCDRN Cc1cnc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)o1 ZINC000820633214 628280093 /nfs/dbraw/zinc/28/00/93/628280093.db2.gz AREVZXCZMDCZBD-STQMWFEESA-N 0 0 319.380 3.348 20 10 DGCDRN CCn1ccc(C(=O)N[C@H](C)c2cc(OC)ccc2O)c1C ZINC000821065917 628334342 /nfs/dbraw/zinc/33/43/42/628334342.db2.gz STDYSIBVDGVUQL-LLVKDONJSA-N 0 0 302.374 3.022 20 10 DGCDRN CC[C@H](Cc1cccc(C)c1)C(=O)NCc1ccc(O)c(O)c1 ZINC000821070849 628334344 /nfs/dbraw/zinc/33/43/44/628334344.db2.gz OQDCGVWQZQOZOM-MRXNPFEDSA-N 0 0 313.397 3.291 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1C[C@H](C)O[C@H]1C ZINC000840432825 628348134 /nfs/dbraw/zinc/34/81/34/628348134.db2.gz HFDDQFBFILCSTI-DZKIICNBSA-N 0 0 320.433 3.127 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1C[C@@H](C)O[C@H]1C ZINC000840432837 628348442 /nfs/dbraw/zinc/34/84/42/628348442.db2.gz HFDDQFBFILCSTI-YCPHGPKFSA-N 0 0 320.433 3.127 20 10 DGCDRN CCS(=O)(=O)Nc1ccc(NCc2cc(C)ccc2O)cc1 ZINC000103855701 628351228 /nfs/dbraw/zinc/35/12/28/628351228.db2.gz SKGIGEPSCGPFOJ-UHFFFAOYSA-N 0 0 320.414 3.074 20 10 DGCDRN O=C([O-])C1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000821511049 628378453 /nfs/dbraw/zinc/37/84/53/628378453.db2.gz BLCYUZDYHQBJBJ-UHFFFAOYSA-N 0 0 311.381 3.356 20 10 DGCDRN CC[C@H](CSC)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000821706964 628391227 /nfs/dbraw/zinc/39/12/27/628391227.db2.gz XWPXYMJPTIDPCY-GFCCVEGCSA-N 0 0 308.407 3.063 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3ccsc3)C2)cc1 ZINC000821826194 628400756 /nfs/dbraw/zinc/40/07/56/628400756.db2.gz FVIRCSSKGJQBKP-LBPRGKRZSA-N 0 0 317.414 3.157 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C2(C(F)(F)F)CCC2)cc1 ZINC000822227175 628431569 /nfs/dbraw/zinc/43/15/69/628431569.db2.gz YHWWRFITANRKOI-UHFFFAOYSA-N 0 0 300.324 3.101 20 10 DGCDRN CCOC(=O)CN(Cc1cccc(F)c1)Cc1ccccc1O ZINC000822511556 628459368 /nfs/dbraw/zinc/45/93/68/628459368.db2.gz IHMBFHFXPKXKCI-UHFFFAOYSA-N 0 0 317.360 3.097 20 10 DGCDRN Cc1cc(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)n(C)n1 ZINC000822641812 628473921 /nfs/dbraw/zinc/47/39/21/628473921.db2.gz BMGRAPBXOKWQGX-UHFFFAOYSA-N 0 0 322.412 3.317 20 10 DGCDRN Cc1ccc(F)c(CC(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000822861502 628503836 /nfs/dbraw/zinc/50/38/36/628503836.db2.gz AENHJNAEICJOII-UHFFFAOYSA-N 0 0 318.367 3.198 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)[C@@H]3CCC3(C)C)CC2)cc1 ZINC000822919855 628509533 /nfs/dbraw/zinc/50/95/33/628509533.db2.gz PBHLFEMIXDABSQ-KRWDZBQOSA-N 0 0 316.445 3.170 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)C1(CCc2ccccc2)CC1 ZINC000822971274 628514411 /nfs/dbraw/zinc/51/44/11/628514411.db2.gz BNUVZPHATAEVGP-UHFFFAOYSA-N 0 0 311.381 3.127 20 10 DGCDRN Cc1cc(C(=O)NC(C)C)ccc1NC(=O)C1=CC(=O)CS1 ZINC000823179185 628534042 /nfs/dbraw/zinc/53/40/42/628534042.db2.gz ZZXFCBLBFCXQLN-UHFFFAOYSA-N 0 0 318.398 3.153 20 10 DGCDRN CCC[C@@H](OC)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000823196113 628536121 /nfs/dbraw/zinc/53/61/21/628536121.db2.gz WMHHYRZXQZQZLT-GOSISDBHSA-N 0 0 318.461 3.354 20 10 DGCDRN CC1(C)CCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000823201781 628536514 /nfs/dbraw/zinc/53/65/14/628536514.db2.gz COVNUXKPDNKQDK-LBPRGKRZSA-N 0 0 302.378 3.405 20 10 DGCDRN CCC[C@@H](OC)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000823213969 628537614 /nfs/dbraw/zinc/53/76/14/628537614.db2.gz UFBZFXOWQBMYCF-MRXNPFEDSA-N 0 0 310.413 3.103 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CSC(F)F)cc1F ZINC000823213767 628537665 /nfs/dbraw/zinc/53/76/65/628537665.db2.gz PGHVPCPFOGRKQZ-UHFFFAOYSA-N 0 0 320.380 3.244 20 10 DGCDRN C[C@@]12CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000823306930 628548173 /nfs/dbraw/zinc/54/81/73/628548173.db2.gz BAPSQBRYEDPUOA-OSDKZWGASA-N 0 0 324.384 3.133 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC[C@H]1C ZINC000840480557 628575118 /nfs/dbraw/zinc/57/51/18/628575118.db2.gz WXNSHCZFFFMUNR-HUUCEWRRSA-N 0 0 303.450 3.186 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000823693568 628587258 /nfs/dbraw/zinc/58/72/58/628587258.db2.gz OMOHSPNLHAHCMP-MXASKKJJSA-N 0 0 315.461 3.090 20 10 DGCDRN CC(C)[C@@H]1C[C@@H](C(=O)NCc2cc(Cl)ccc2O)CCO1 ZINC000823986249 628616131 /nfs/dbraw/zinc/61/61/31/628616131.db2.gz IQDXLJVQAKNHQA-NHYWBVRUSA-N 0 0 311.809 3.113 20 10 DGCDRN O=C(C[C@H]1CCCC1(F)F)NCc1cc(Cl)ccc1O ZINC000823987569 628616747 /nfs/dbraw/zinc/61/67/47/628616747.db2.gz VPOMKVXSTXUUBH-SNVBAGLBSA-N 0 0 303.736 3.487 20 10 DGCDRN CCn1nc(C)c(CN2CCCc3cc(OC(F)F)ccc32)n1 ZINC000824162233 628633581 /nfs/dbraw/zinc/63/35/81/628633581.db2.gz SQVONAZBVUFYIY-UHFFFAOYSA-N 0 0 322.359 3.161 20 10 DGCDRN CO[C@@H]1CC[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)C1 ZINC000824262413 628644966 /nfs/dbraw/zinc/64/49/66/628644966.db2.gz XJGWJMOQZPFTJS-FUHWJXTLSA-N 0 0 316.445 3.108 20 10 DGCDRN CO[C@H]1CC[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)C1 ZINC000824262412 628645032 /nfs/dbraw/zinc/64/50/32/628645032.db2.gz XJGWJMOQZPFTJS-AEFFLSMTSA-N 0 0 316.445 3.108 20 10 DGCDRN CCN(CC)c1ccc(CNCc2noc(C3CC3)n2)cc1 ZINC000824320432 628650943 /nfs/dbraw/zinc/65/09/43/628650943.db2.gz HYZYDBKPJJESGP-UHFFFAOYSA-N 0 0 300.406 3.083 20 10 DGCDRN C[C@@]1(F)CCCN(Cc2cc(Br)ccc2O)C1 ZINC000824472364 628663527 /nfs/dbraw/zinc/66/35/27/628663527.db2.gz RBQULNCXFVQTMH-CYBMUJFWSA-N 0 0 302.187 3.479 20 10 DGCDRN CC[C@H](COCC(F)(F)F)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000824555603 628670551 /nfs/dbraw/zinc/67/05/51/628670551.db2.gz VNMADCYCXDCQSM-SNVBAGLBSA-N 0 0 311.731 3.493 20 10 DGCDRN COCCN(Cc1cc(Cl)c(C)cc1O)CC(F)(F)F ZINC000824639112 628679402 /nfs/dbraw/zinc/67/94/02/628679402.db2.gz HAYOJNDNCZGABH-UHFFFAOYSA-N 0 0 311.731 3.365 20 10 DGCDRN CS[C@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000824683862 628683745 /nfs/dbraw/zinc/68/37/45/628683745.db2.gz XUAVEUUHOUGPPQ-JTQLQIEISA-N 0 0 302.237 3.092 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCC(c2ccc(F)cn2)CC1 ZINC000824759832 628690120 /nfs/dbraw/zinc/69/01/20/628690120.db2.gz IGRDJIAJJTWLCS-UHFFFAOYSA-N 0 0 306.362 3.008 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000824844793 628699177 /nfs/dbraw/zinc/69/91/77/628699177.db2.gz CTYJYECXPKGJCG-MLGOLLRUSA-N 0 0 313.800 3.071 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000824844794 628699525 /nfs/dbraw/zinc/69/95/25/628699525.db2.gz CTYJYECXPKGJCG-WBMJQRKESA-N 0 0 313.800 3.071 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000824845142 628699622 /nfs/dbraw/zinc/69/96/22/628699622.db2.gz IFLVDCFZXAGYFA-UKRRQHHQSA-N 0 0 313.800 3.071 20 10 DGCDRN COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000824862399 628701268 /nfs/dbraw/zinc/70/12/68/628701268.db2.gz ZKQDEWHZBUGYGR-MFKMUULPSA-N 0 0 315.772 3.006 20 10 DGCDRN Cc1cc(O)c(CNc2cnn(CC(F)F)c2)cc1Cl ZINC000825037954 628719650 /nfs/dbraw/zinc/71/96/50/628719650.db2.gz MDIRYMPDFRPFGC-UHFFFAOYSA-N 0 0 301.724 3.428 20 10 DGCDRN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H](CO)CC(C)(C)C ZINC000825041017 628720206 /nfs/dbraw/zinc/72/02/06/628720206.db2.gz YOQQZGJRSOATLO-GFCCVEGCSA-N 0 0 303.805 3.414 20 10 DGCDRN CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C1CCCC1 ZINC000825123819 628730484 /nfs/dbraw/zinc/73/04/84/628730484.db2.gz CQIURUDEFQGPST-CYBMUJFWSA-N 0 0 308.378 3.367 20 10 DGCDRN CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000825284702 628746849 /nfs/dbraw/zinc/74/68/49/628746849.db2.gz YXUWAUUAHIKSQD-DGCLKSJQSA-N 0 0 314.769 3.001 20 10 DGCDRN CO[C@H](C)CCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000825395879 628757571 /nfs/dbraw/zinc/75/75/71/628757571.db2.gz MQGMKGRQUCOUPY-OAHLLOKOSA-N 0 0 314.429 3.178 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CCN(C(=O)[O-])C1)c1ccc(N2CCCCC2)cc1 ZINC000825480289 628765928 /nfs/dbraw/zinc/76/59/28/628765928.db2.gz VPJMILZODCFCIV-ZBFHGGJFSA-N 0 0 317.433 3.080 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3cncc(Cl)c3)ccc21 ZINC000825510745 628770258 /nfs/dbraw/zinc/77/02/58/628770258.db2.gz GXIXHDOIROJNDT-UHFFFAOYSA-N 0 0 315.804 3.047 20 10 DGCDRN C[C@@H]1CN(Cc2ccc(Br)cc2O)[C@@H](C)[C@@H](C)O1 ZINC000825634625 628779976 /nfs/dbraw/zinc/77/99/76/628779976.db2.gz PAXHMMUAVVHZFN-OUAUKWLOSA-N 0 0 314.223 3.152 20 10 DGCDRN CC(C)Cn1cc(C(=O)NCc2ccccc2O)c(C(F)F)n1 ZINC000825658642 628782741 /nfs/dbraw/zinc/78/27/41/628782741.db2.gz LWCNEEOSIYFTAG-UHFFFAOYSA-N 0 0 323.343 3.112 20 10 DGCDRN CC(C)Oc1ccc(N(C)Cc2cn(C3CCC3)nn2)cc1 ZINC000825697819 628786981 /nfs/dbraw/zinc/78/69/81/628786981.db2.gz KGJIKVGHJWOIDL-UHFFFAOYSA-N 0 0 300.406 3.427 20 10 DGCDRN COc1cccc(CNC(=O)/C(F)=C\C2CCCCC2)c1O ZINC000825703340 628787329 /nfs/dbraw/zinc/78/73/29/628787329.db2.gz QSILJOHKPBTJRO-GXDHUFHOSA-N 0 0 307.365 3.451 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCS[C@H]2C)cc1 ZINC000825721623 628790791 /nfs/dbraw/zinc/79/07/91/628790791.db2.gz QNJMMXDRZRHBRI-BBRMVZONSA-N 0 0 321.490 3.226 20 10 DGCDRN Cc1noc([C@@H]2CC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)n1 ZINC000825875012 628806389 /nfs/dbraw/zinc/80/63/89/628806389.db2.gz XBVSWOKPUHKIFR-LLVKDONJSA-N 0 0 307.781 3.035 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccc(N)cc2)cc1 ZINC000826020030 628820963 /nfs/dbraw/zinc/82/09/63/628820963.db2.gz NZBQHOQOBOFQTH-UHFFFAOYSA-N 0 0 311.429 3.387 20 10 DGCDRN CC(C)(C)N1CC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000826867949 628897556 /nfs/dbraw/zinc/89/75/56/628897556.db2.gz NOYKSSCZRVPQAZ-LBPRGKRZSA-N 0 0 300.805 3.147 20 10 DGCDRN CCOC1(C(=O)NCc2ccc(N(CC)CC)c(F)c2)CCC1 ZINC000826942680 628905625 /nfs/dbraw/zinc/90/56/25/628905625.db2.gz RXHJHXASBHOWLL-UHFFFAOYSA-N 0 0 322.424 3.247 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](C)CC(F)F)c1 ZINC000827160177 628930630 /nfs/dbraw/zinc/93/06/30/628930630.db2.gz LWXLGIDEEOQJMY-ZJUUUORDSA-N 0 0 316.348 3.052 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)c1 ZINC000827166126 628931148 /nfs/dbraw/zinc/93/11/48/628931148.db2.gz FQDRSHWYSLNNPI-ZWKOTPCHSA-N 0 0 324.424 3.187 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1COc2cc(F)ccc2C1 ZINC000827261091 628943186 /nfs/dbraw/zinc/94/31/86/628943186.db2.gz UOEHOASEBSJHAY-CYBMUJFWSA-N 0 0 307.752 3.278 20 10 DGCDRN Cc1cnccc1/C=C/C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000827323730 628949735 /nfs/dbraw/zinc/94/97/35/628949735.db2.gz PFTSHKIATSTZFR-VQHVLOKHSA-N 0 0 322.408 3.304 20 10 DGCDRN C[C@H](Cc1ccco1)C(=O)NCCCSc1nccs1 ZINC000827474505 628962208 /nfs/dbraw/zinc/96/22/08/628962208.db2.gz BBGUNXVEALFFBK-LLVKDONJSA-N 0 0 310.444 3.213 20 10 DGCDRN CCc1cccc(CN2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)c1O ZINC000827785981 628991261 /nfs/dbraw/zinc/99/12/61/628991261.db2.gz FJNSVYYDUILESI-RISCZKNCSA-N 0 0 317.351 3.496 20 10 DGCDRN CC[C@H](C)n1nc(C(=O)N[C@H](C)c2ccccc2O)cc1C ZINC000827940500 629006142 /nfs/dbraw/zinc/00/61/42/629006142.db2.gz DQNCCVDBDARFDE-WCQYABFASA-N 0 0 301.390 3.359 20 10 DGCDRN C[C@@H](NC(=O)[C@H]1CCC(=O)c2ccccc21)c1ccccc1O ZINC000827946780 629006646 /nfs/dbraw/zinc/00/66/46/629006646.db2.gz RLPZBEAXXSCIAQ-WBMJQRKESA-N 0 0 309.365 3.330 20 10 DGCDRN COc1ccc2c(c1)CC[C@H]2C(=O)N[C@H](C)c1ccccc1O ZINC000827956595 629007747 /nfs/dbraw/zinc/00/77/47/629007747.db2.gz NLWARPBJEGBQAH-SJKOYZFVSA-N 0 0 311.381 3.308 20 10 DGCDRN Cc1ccccc1CO[C@H](C)C(=O)N[C@H](C)c1ccccc1O ZINC000827957653 629008364 /nfs/dbraw/zinc/00/83/64/629008364.db2.gz XJVCOHMLOPJWMB-HUUCEWRRSA-N 0 0 313.397 3.483 20 10 DGCDRN COc1cccc(CCC(=O)N[C@@H](C)c2ccccc2O)c1F ZINC000827964196 629008561 /nfs/dbraw/zinc/00/85/61/629008561.db2.gz HBMGCHQJBFURLU-LBPRGKRZSA-N 0 0 317.360 3.350 20 10 DGCDRN Cc1cc2c(cc1C)[C@@H](C(=O)N[C@@H](C)c1ccccc1O)CO2 ZINC000827969040 629009491 /nfs/dbraw/zinc/00/94/91/629009491.db2.gz GKCIWVMJMMZTRF-BBRMVZONSA-N 0 0 311.381 3.362 20 10 DGCDRN CC(C)[C@@H]1C[C@@H](CC(=O)N[C@@H](C)c2ccccc2O)CCO1 ZINC000827970141 629009826 /nfs/dbraw/zinc/00/98/26/629009826.db2.gz XNUSRGLPZITQHY-ZQIUZPCESA-N 0 0 305.418 3.411 20 10 DGCDRN C[C@H](NC(=O)CCCc1ccc(O)c(F)c1)c1ccccc1O ZINC000827970179 629009850 /nfs/dbraw/zinc/00/98/50/629009850.db2.gz YVHJPYGZMDZLGU-LBPRGKRZSA-N 0 0 317.360 3.437 20 10 DGCDRN C[C@H](NC(=O)c1cccc([C@@H]2CCOC2)c1)c1ccccc1O ZINC000827973897 629010483 /nfs/dbraw/zinc/01/04/83/629010483.db2.gz ZYDLWJFVWPDZLT-XJKSGUPXSA-N 0 0 311.381 3.387 20 10 DGCDRN C[C@H](NC(=O)CCCn1cnc2ccccc21)c1ccccc1O ZINC000827982001 629010779 /nfs/dbraw/zinc/01/07/79/629010779.db2.gz KPFPFVCEHVGSKT-AWEZNQCLSA-N 0 0 323.396 3.400 20 10 DGCDRN C[C@H](NC(=O)c1ccc2c(c1)CCCC(=O)N2)c1ccccc1O ZINC000827981881 629011148 /nfs/dbraw/zinc/01/11/48/629011148.db2.gz FSRFPWFWAPPJKY-LBPRGKRZSA-N 0 0 324.380 3.158 20 10 DGCDRN C[C@H](NC(=O)c1noc2c1CC(C)(C)CC2)c1ccccc1O ZINC000827985409 629011413 /nfs/dbraw/zinc/01/14/13/629011413.db2.gz JSLTXAWUVDNKIS-NSHDSACASA-N 0 0 314.385 3.386 20 10 DGCDRN Cc1ccc([C@@H]2CCN(C(=O)c3c(F)ccc(O)c3O)C2)cc1 ZINC000828316806 629044024 /nfs/dbraw/zinc/04/40/24/629044024.db2.gz NSLAJWIWSCLQSS-CYBMUJFWSA-N 0 0 315.344 3.175 20 10 DGCDRN C[C@H](NC(=O)C[C@@H]1CC[C@H](C(F)(F)F)O1)c1ccccc1O ZINC000828539447 629064338 /nfs/dbraw/zinc/06/43/38/629064338.db2.gz OUJQBZHTPQJRBA-OUJBWJOFSA-N 0 0 317.307 3.069 20 10 DGCDRN CCc1cc(C(=O)N[C@@H](C)c2ccccc2O)cc(Cl)n1 ZINC000828539626 629064389 /nfs/dbraw/zinc/06/43/89/629064389.db2.gz RLPQVVHALOJYBG-JTQLQIEISA-N 0 0 304.777 3.494 20 10 DGCDRN Cc1cc(Cn2nccc2[N+](=O)[O-])ccc1N1CCCCC1 ZINC000829072623 629125974 /nfs/dbraw/zinc/12/59/74/629125974.db2.gz NSVKRVZJUWZVND-UHFFFAOYSA-N 0 0 300.362 3.138 20 10 DGCDRN C/C(=C\C(=O)N1CC[C@@H](C)c2cccc(O)c21)c1cnccn1 ZINC000829521095 629166040 /nfs/dbraw/zinc/16/60/40/629166040.db2.gz MASYAOZQVVPCAS-GMCKNXKJSA-N 0 0 309.369 3.126 20 10 DGCDRN Cc1nn(Cc2ccc(N3CCCCC3)c(C)c2)cc1[N+](=O)[O-] ZINC000829601657 629173188 /nfs/dbraw/zinc/17/31/88/629173188.db2.gz GUFVTGFUDIIGKF-UHFFFAOYSA-N 0 0 314.389 3.447 20 10 DGCDRN C[C@H](NC(=O)C1(C)CCC(=O)CC1)c1ccc(N(C)C)cc1 ZINC000829818014 629197597 /nfs/dbraw/zinc/19/75/97/629197597.db2.gz TZHMPWHAZAVUKU-ZDUSSCGKSA-N 0 0 302.418 3.079 20 10 DGCDRN Cc1ncccc1/C=C/C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000829818667 629198170 /nfs/dbraw/zinc/19/81/70/629198170.db2.gz ZLZMEHODBFCQHS-SAAWKEMMSA-N 0 0 309.413 3.347 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)C[C@@H](C)n1ccc(C)n1 ZINC000830141259 629229782 /nfs/dbraw/zinc/22/97/82/629229782.db2.gz QACCSPYRLNMTPJ-OAHLLOKOSA-N 0 0 315.417 3.287 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](OC)C2CCCCC2)c1 ZINC000830540825 629281999 /nfs/dbraw/zinc/28/19/99/629281999.db2.gz NXJDMLBCJMDCNS-SJKOYZFVSA-N 0 0 321.417 3.173 20 10 DGCDRN COc1cccc(CNC(=O)C2CCC(C3CC3)CC2)c1O ZINC000830540611 629282066 /nfs/dbraw/zinc/28/20/66/629282066.db2.gz MICWZKIAAXMXBE-UHFFFAOYSA-N 0 0 303.402 3.233 20 10 DGCDRN COc1ccc(N(CC2CC2)C[C@@H]2CC3(CCC3)C(=O)O2)cc1 ZINC000831587870 629393662 /nfs/dbraw/zinc/39/36/62/629393662.db2.gz NVVIGVIWYDRMKX-KRWDZBQOSA-N 0 0 315.413 3.397 20 10 DGCDRN CC(C)c1cc([C@H]2CCCN(C(=O)C3=CC(=O)CS3)C2)[nH]n1 ZINC000831891142 629423951 /nfs/dbraw/zinc/42/39/51/629423951.db2.gz DPSXTVAWZQILCB-NSHDSACASA-N 0 0 319.430 3.320 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)/C=C/[C@@H]1CCOC1 ZINC000831909364 629427280 /nfs/dbraw/zinc/42/72/80/629427280.db2.gz LWDPPPWAXYJQTG-XVJNWHFHSA-N 0 0 303.402 3.114 20 10 DGCDRN CSc1cc(C)c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)o1 ZINC000831925523 629428923 /nfs/dbraw/zinc/42/89/23/629428923.db2.gz YJYNELIHBLFKFN-JTQLQIEISA-N 0 0 321.398 3.082 20 10 DGCDRN Nc1ccc(CC(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000831959921 629431167 /nfs/dbraw/zinc/43/11/67/629431167.db2.gz BZZWVNIDSXJYCJ-CRAIPNDOSA-N 0 0 312.388 3.403 20 10 DGCDRN COc1ccccc1C1(CNC(=O)Cc2ccc(N)cc2)CCC1 ZINC000832020751 629435999 /nfs/dbraw/zinc/43/59/99/629435999.db2.gz GPDFOXKKBHNYBY-UHFFFAOYSA-N 0 0 324.424 3.058 20 10 DGCDRN O=C(c1c(F)ccc(O)c1O)N1CCC[C@@H](c2ccccc2)C1 ZINC000832826555 629519546 /nfs/dbraw/zinc/51/95/46/629519546.db2.gz MGOPPJLMIFGAIU-CYBMUJFWSA-N 0 0 315.344 3.257 20 10 DGCDRN CC1(C)CN(C(=O)C2=CC(=O)CS2)C[C@@](C)(C(F)(F)F)O1 ZINC000832876584 629526658 /nfs/dbraw/zinc/52/66/58/629526658.db2.gz DXSQSIAGBGNIHJ-LBPRGKRZSA-N 0 0 323.336 3.026 20 10 DGCDRN CC(=O)N(c1ccc(NC(=O)C2=CC(=O)CS2)cc1)C1CC1 ZINC000832908577 629531742 /nfs/dbraw/zinc/53/17/42/629531742.db2.gz MWHDPRCXBPDNKY-UHFFFAOYSA-N 0 0 316.382 3.221 20 10 DGCDRN CC[C@@H](CO)N(C)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000833336953 629587234 /nfs/dbraw/zinc/58/72/34/629587234.db2.gz KOMFDOCBOAZAQM-HNNXBMFYSA-N 0 0 318.392 3.076 20 10 DGCDRN COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(C(=O)[O-])ccc2F)c1 ZINC000833733513 629644536 /nfs/dbraw/zinc/64/45/36/629644536.db2.gz JJGDMFCEFLWXGO-JTQLQIEISA-N 0 0 319.332 3.089 20 10 DGCDRN CCCN1CCN(C(=O)C2=CC(=O)CS2)c2ccc(F)cc21 ZINC000834331026 629692163 /nfs/dbraw/zinc/69/21/63/629692163.db2.gz HXYJYILRTQREJT-UHFFFAOYSA-N 0 0 320.389 3.470 20 10 DGCDRN COC(=O)c1cnc(SC[C@H](O)c2cc(C)cc(C)c2)s1 ZINC000834382566 629702618 /nfs/dbraw/zinc/70/26/18/629702618.db2.gz NUQZQNJIWXTYNF-LBPRGKRZSA-N 0 0 323.439 3.372 20 10 DGCDRN Cc1nc(NCc2ccc(N(C)Cc3cccs3)cc2)n[nH]1 ZINC000834475315 629715880 /nfs/dbraw/zinc/71/58/80/629715880.db2.gz QPYZXCYDPJIHQU-UHFFFAOYSA-N 0 0 313.430 3.423 20 10 DGCDRN C[C@H](CCCc1cccnc1)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000834554820 629726971 /nfs/dbraw/zinc/72/69/71/629726971.db2.gz GYRWSIMLXSQLOJ-CYBMUJFWSA-N 0 0 315.373 3.196 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCSC2(CCC2)C1 ZINC000834734147 629768899 /nfs/dbraw/zinc/76/88/99/629768899.db2.gz BXZQJFIRERTNMD-HSBHDXMMSA-N 0 0 319.426 3.046 20 10 DGCDRN C[C@H](CCCO)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000834870806 629794109 /nfs/dbraw/zinc/79/41/09/629794109.db2.gz KNWHJIDBWLSEEQ-GHMZBOCLSA-N 0 0 305.340 3.470 20 10 DGCDRN CC(C)c1nnc(CN[C@H]2C[C@@H](C)c3c2c(O)ccc3F)[nH]1 ZINC000834871148 629794237 /nfs/dbraw/zinc/79/42/37/629794237.db2.gz MBBOYADVMIVEOT-KOLCDFICSA-N 0 0 304.369 3.111 20 10 DGCDRN Cc1cc(Cl)cc([C@@H](C)NCc2nnc(C3CC3)[nH]2)c1O ZINC000834870870 629794268 /nfs/dbraw/zinc/79/42/68/629794268.db2.gz LFNYXRCBFAHYLI-SECBINFHSA-N 0 0 306.797 3.200 20 10 DGCDRN CC[C@H](NCc1nnc(C(C)C)[nH]1)c1ccc(N(C)C)cc1 ZINC000834869743 629794282 /nfs/dbraw/zinc/79/42/82/629794282.db2.gz FWPZKCMYPYGDCS-HNNXBMFYSA-N 0 0 301.438 3.235 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H]1CCOC[C@H]1OC)c1cccc(Cl)c1[O-] ZINC000834880702 629796302 /nfs/dbraw/zinc/79/63/02/629796302.db2.gz OEARSWVGDCYVLJ-TUKIKUTGSA-N 0 0 313.825 3.138 20 10 DGCDRN CC[C@H]([NH2+]C[C@H]1CCOC[C@@H]1OC)c1cccc(Cl)c1[O-] ZINC000834880704 629796314 /nfs/dbraw/zinc/79/63/14/629796314.db2.gz OEARSWVGDCYVLJ-UGFHNGPFSA-N 0 0 313.825 3.138 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-])[C@@H](C)O ZINC000834886962 629798039 /nfs/dbraw/zinc/79/80/39/629798039.db2.gz GGYHVUGRKGVWSV-SXMVTHIZSA-N 0 0 320.202 3.104 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1cccc(Cl)c1[O-] ZINC000834896560 629801270 /nfs/dbraw/zinc/80/12/70/629801270.db2.gz LEFLXPKFCXJCJS-NHYWBVRUSA-N 0 0 307.825 3.451 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1cccc(C(F)(F)F)c1[O-] ZINC000834907199 629805536 /nfs/dbraw/zinc/80/55/36/629805536.db2.gz YLSPFBCGMAAMOA-GBIKHYSHSA-N 0 0 303.324 3.223 20 10 DGCDRN CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834911269 629806501 /nfs/dbraw/zinc/80/65/01/629806501.db2.gz ISTCQEHNZMQGPP-DJSGYFEHSA-N 0 0 308.378 3.299 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C2CC2)C2CCC2)c1 ZINC000834910597 629806616 /nfs/dbraw/zinc/80/66/16/629806616.db2.gz ILFFLLZRTNIWRU-DIFFPNOSSA-N 0 0 303.402 3.408 20 10 DGCDRN C[C@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C ZINC000835032968 629829673 /nfs/dbraw/zinc/82/96/73/629829673.db2.gz NDUJPBLULYVZJE-DANTVBBOSA-N 0 0 304.434 3.086 20 10 DGCDRN CN(C)c1ccc(/C=C\CNc2cnc3c(c2)COCC3)cc1 ZINC000835042761 629833186 /nfs/dbraw/zinc/83/31/86/629833186.db2.gz LKXSANRODOXYHT-ARJAWSKDSA-N 0 0 309.413 3.346 20 10 DGCDRN Cc1nnc([C@H](C)NC/C=C\c2ccc(N(C)C)cc2)s1 ZINC000835046929 629834705 /nfs/dbraw/zinc/83/47/05/629834705.db2.gz AJKMQVVFLJPBNW-FJOGCWAESA-N 0 0 302.447 3.277 20 10 DGCDRN C[C@@H](C(=O)NC(C)(C)C)N(C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835045882 629834896 /nfs/dbraw/zinc/83/48/96/629834896.db2.gz LGXUNBZVHPIBMB-HVHJFMEUSA-N 0 0 317.477 3.001 20 10 DGCDRN Cc1noc([C@H]2CCCN2C/C=C\c2ccc(N(C)C)cc2)n1 ZINC000835052920 629837694 /nfs/dbraw/zinc/83/76/94/629837694.db2.gz IPMBFLWYSIOPJP-XQDHMALISA-N 0 0 312.417 3.294 20 10 DGCDRN COc1ccc(N2CCN(C(=O)C3=CC[C@H](C)CC3)CC2)cc1 ZINC000836206388 630083362 /nfs/dbraw/zinc/08/33/62/630083362.db2.gz DUKVQMOIRSRXCO-HNNXBMFYSA-N 0 0 314.429 3.090 20 10 DGCDRN COc1ccc2c(c1)C(=O)N(C)[C@H](c1cccc(Cl)c1O)N2 ZINC000102417648 630103755 /nfs/dbraw/zinc/10/37/55/630103755.db2.gz BXKYXOYZBFXJMQ-OAHLLOKOSA-N 0 0 318.760 3.251 20 10 DGCDRN COc1ccc2c(c1)C(=O)N(C)[C@@H](c1cc(Cl)ccc1O)N2 ZINC000102418314 630104414 /nfs/dbraw/zinc/10/44/14/630104414.db2.gz AIACIUAWQDZXCH-HNNXBMFYSA-N 0 0 318.760 3.251 20 10 DGCDRN COC1(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCCC1 ZINC000836405928 630110083 /nfs/dbraw/zinc/11/00/83/630110083.db2.gz ONPBUOPBJUWHMX-CQSZACIVSA-N 0 0 319.449 3.072 20 10 DGCDRN CC[C@H]1CCC[C@@H]1CNC(=O)NCc1ccc(OC)cc1O ZINC000836559681 630133753 /nfs/dbraw/zinc/13/37/53/630133753.db2.gz RRGRQSJRKGZOJB-QWHCGFSZSA-N 0 0 306.406 3.026 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2C[C@H]2C(C)C)c1 ZINC000836621069 630142648 /nfs/dbraw/zinc/14/26/48/630142648.db2.gz JVDIJIITUDWANU-DYEKYZERSA-N 0 0 306.406 3.053 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@H](C)C(C)(C)O)cc1 ZINC000836811721 630166850 /nfs/dbraw/zinc/16/68/50/630166850.db2.gz MUYSVAITEAWSHS-OAHLLOKOSA-N 0 0 314.429 3.326 20 10 DGCDRN CCCCN(C(=O)c1cccc(O)c1O)[C@@H]1CCCC[C@H]1OC ZINC000836862677 630175653 /nfs/dbraw/zinc/17/56/53/630175653.db2.gz TYPFWRTVMGWLSV-GDBMZVCRSA-N 0 0 321.417 3.298 20 10 DGCDRN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCc1ccc(N)cc1 ZINC000837302985 630237510 /nfs/dbraw/zinc/23/75/10/630237510.db2.gz PBRPIUPQRJFJQZ-JLSDUUJJSA-N 0 0 318.461 3.362 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C2(COC)CCCC2)cc1 ZINC000837352981 630245649 /nfs/dbraw/zinc/24/56/49/630245649.db2.gz FVMPNXDQDJHKRE-UHFFFAOYSA-N 0 0 318.461 3.356 20 10 DGCDRN CC[C@H](CC(F)F)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000837377962 630250004 /nfs/dbraw/zinc/25/00/04/630250004.db2.gz OGTKCGIBFBEMNF-LLVKDONJSA-N 0 0 302.340 3.189 20 10 DGCDRN C[C@H](CC(F)(F)F)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000837377589 630250132 /nfs/dbraw/zinc/25/01/32/630250132.db2.gz LUSHYCQPSSKQBM-SECBINFHSA-N 0 0 306.303 3.096 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)CC(F)(F)F ZINC000837424904 630256055 /nfs/dbraw/zinc/25/60/55/630256055.db2.gz YVSASDNNYBWDPW-NSHDSACASA-N 0 0 302.340 3.266 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCC1CCC(F)(F)CC1 ZINC000837587211 630280164 /nfs/dbraw/zinc/28/01/64/630280164.db2.gz JCBBOJOIJGQYPS-DUXPYHPUSA-N 0 0 312.312 3.480 20 10 DGCDRN CC(C)(C)c1cc(COC(=O)/C=C/c2ccc(O)c(O)c2)no1 ZINC000837588434 630280839 /nfs/dbraw/zinc/28/08/39/630280839.db2.gz RKWNQAQZIGUDNU-FNORWQNLSA-N 0 0 317.341 3.140 20 10 DGCDRN CC[N@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])C1CC1 ZINC000102884969 630302079 /nfs/dbraw/zinc/30/20/79/630302079.db2.gz KWOQEDYWDRKYTP-UHFFFAOYSA-N 0 0 311.381 3.313 20 10 DGCDRN COCCN(Cc1ccc(N(C)C)cc1C)CC(F)(F)F ZINC000840912696 630377593 /nfs/dbraw/zinc/37/75/93/630377593.db2.gz UHGNZIYDDCREOI-UHFFFAOYSA-N 0 0 304.356 3.072 20 10 DGCDRN Cc1cc(O)c(CN2CCO[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC000840918674 630377832 /nfs/dbraw/zinc/37/78/32/630377832.db2.gz YAMQQQHDMJZUNE-GFCCVEGCSA-N 0 0 309.715 3.117 20 10 DGCDRN CC(=O)NCc1ccc(NCc2ccc(N(C)C)cc2C)cc1 ZINC000840926458 630379515 /nfs/dbraw/zinc/37/95/15/630379515.db2.gz DKAJSYJUTKGHOP-UHFFFAOYSA-N 0 0 311.429 3.309 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNCc1nccc(C(F)F)n1 ZINC000840945441 630381793 /nfs/dbraw/zinc/38/17/93/630381793.db2.gz NZYXFRMASMEXQO-UHFFFAOYSA-N 0 0 306.360 3.078 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ccc2[nH]c(=O)n(C)c2c1 ZINC000840942905 630382174 /nfs/dbraw/zinc/38/21/74/630382174.db2.gz MYWQRYBCQRATSG-UHFFFAOYSA-N 0 0 310.401 3.265 20 10 DGCDRN COCC[C@H](C)C[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000840955817 630383977 /nfs/dbraw/zinc/38/39/77/630383977.db2.gz XJAVLYOACPSOJV-JTQLQIEISA-N 0 0 316.239 3.225 20 10 DGCDRN CN(Cc1cccs1)c1ccc(C[N@H+](C)CCC(=O)[O-])cc1 ZINC000840997204 630392520 /nfs/dbraw/zinc/39/25/20/630392520.db2.gz MVWZCIJWPVRNJS-UHFFFAOYSA-N 0 0 318.442 3.291 20 10 DGCDRN CN(Cc1cccs1)c1ccc(C[NH2+]CCCC(=O)[O-])cc1 ZINC000840995490 630392594 /nfs/dbraw/zinc/39/25/94/630392594.db2.gz SANUNJIFMCSRFZ-UHFFFAOYSA-N 0 0 318.442 3.339 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000841085713 630405873 /nfs/dbraw/zinc/40/58/73/630405873.db2.gz BJIFPAYFKQCFMY-BXUZGUMPSA-N 0 0 312.816 3.149 20 10 DGCDRN [O-]c1c(Cl)cccc1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000841101304 630407844 /nfs/dbraw/zinc/40/78/44/630407844.db2.gz RVAOCDMKFWXXBU-MRXNPFEDSA-N 0 0 302.805 3.192 20 10 DGCDRN C[C@@H](NC(=O)c1nc2c(s1)CCC2)c1ccc(N(C)C)cc1 ZINC000841186436 630414655 /nfs/dbraw/zinc/41/46/55/630414655.db2.gz IZCXTZANNQXBAK-LLVKDONJSA-N 0 0 315.442 3.189 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc2c(c1)CCN2 ZINC000841272319 630422184 /nfs/dbraw/zinc/42/21/84/630422184.db2.gz KUXVGAWWAQUAGU-UHFFFAOYSA-N 0 0 324.428 3.351 20 10 DGCDRN CCC(CC)[C@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)CCO1 ZINC000841296252 630424064 /nfs/dbraw/zinc/42/40/64/630424064.db2.gz RWEMNHPXVDAGPE-JKSUJKDBSA-N 0 0 305.422 3.374 20 10 DGCDRN Nc1ccc(NC(=O)N2CCO[C@@H](C3CCCCC3)C2)cc1 ZINC000841296072 630424104 /nfs/dbraw/zinc/42/41/04/630424104.db2.gz OIJWXXBPQMUBCJ-MRXNPFEDSA-N 0 0 303.406 3.082 20 10 DGCDRN C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(N)cc1 ZINC000841296608 630424114 /nfs/dbraw/zinc/42/41/14/630424114.db2.gz WFOWTSCGVAMELE-CABZTGNLSA-N 0 0 301.312 3.464 20 10 DGCDRN CCn1ccnc1[C@H]1CCCCN1C(=O)Nc1ccc(N)cc1 ZINC000841294437 630424158 /nfs/dbraw/zinc/42/41/58/630424158.db2.gz CEBKCNYPVCYXSH-OAHLLOKOSA-N 0 0 313.405 3.244 20 10 DGCDRN CCC[C@@H](NC(=O)Nc1ccc(N)cc1)[C@@H](O)c1ccccc1 ZINC000841296628 630424225 /nfs/dbraw/zinc/42/42/25/630424225.db2.gz GPQNGLXJBVHSAD-SJORKVTESA-N 0 0 313.401 3.293 20 10 DGCDRN Cc1ccc(N2CCN(C(=O)Nc3ccc(N)cc3)CC2)cc1C ZINC000841297982 630424460 /nfs/dbraw/zinc/42/44/60/630424460.db2.gz LYXSMVWVQVFCEQ-UHFFFAOYSA-N 0 0 324.428 3.240 20 10 DGCDRN Nc1ccc(NC(=O)N2CCOC3(C2)CCCCCC3)cc1 ZINC000841297852 630424488 /nfs/dbraw/zinc/42/44/88/630424488.db2.gz IYRBPGWIZOKILE-UHFFFAOYSA-N 0 0 303.406 3.226 20 10 DGCDRN CCOc1ccc([C@@H]2C[C@H]2NC(=O)Nc2ccc(N)cc2)cc1 ZINC000841296749 630424526 /nfs/dbraw/zinc/42/45/26/630424526.db2.gz HLCYQMQRCVEESG-DLBZAZTESA-N 0 0 311.385 3.345 20 10 DGCDRN C[C@H](NC(=O)Nc1ccc(N)cc1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000841298822 630424580 /nfs/dbraw/zinc/42/45/80/630424580.db2.gz DDBUAQFIZOHRSQ-PRXAMGSTSA-N 0 0 311.385 3.344 20 10 DGCDRN C[C@@]12CCN(C(=O)Nc3ccc(N)cc3)C[C@@H]1C2(Cl)Cl ZINC000841299809 630425080 /nfs/dbraw/zinc/42/50/80/630425080.db2.gz OOBSZPUYJBZUOH-WCQYABFASA-N 0 0 314.216 3.316 20 10 DGCDRN CCO[C@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)C1(CC)CC ZINC000841299506 630425093 /nfs/dbraw/zinc/42/50/93/630425093.db2.gz IDGWAYPJFFXOFR-CABCVRRESA-N 0 0 305.422 3.374 20 10 DGCDRN C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@@H](c2ccccc2)O1 ZINC000841301249 630425650 /nfs/dbraw/zinc/42/56/50/630425650.db2.gz HDQLFEVMUMDOSY-DYVFJYSZSA-N 0 0 311.385 3.263 20 10 DGCDRN CC(C)c1nc(CCNC(=O)Nc2ccc(N)cc2)cs1 ZINC000841301293 630425677 /nfs/dbraw/zinc/42/56/77/630425677.db2.gz JKRDBTVWQUIONE-UHFFFAOYSA-N 0 0 304.419 3.213 20 10 DGCDRN CO[C@H](CC(C)C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000841347374 630431758 /nfs/dbraw/zinc/43/17/58/630431758.db2.gz RNIFJVHNQJQGAL-MAUKXSAKSA-N 0 0 320.477 3.169 20 10 DGCDRN CC[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000121505797 630432884 /nfs/dbraw/zinc/43/28/84/630432884.db2.gz HQXVMYYWOHAXKK-AEFFLSMTSA-N 0 0 313.445 3.441 20 10 DGCDRN CC[C@H](NC(=O)NCc1ccc(OC)cc1O)[C@@H]1CC1(C)C ZINC000841594093 630446859 /nfs/dbraw/zinc/44/68/59/630446859.db2.gz PSVFOACLQULIRF-KBPBESRZSA-N 0 0 306.406 3.025 20 10 DGCDRN Nc1ccc(CCNC(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000841666346 630452884 /nfs/dbraw/zinc/45/28/84/630452884.db2.gz AAILPXGBNCUTNH-LZLYRXPVSA-N 0 0 315.461 3.469 20 10 DGCDRN Nc1ccc(CCNC(=O)NCCc2ccc(Cl)s2)cc1 ZINC000841714318 630458817 /nfs/dbraw/zinc/45/88/17/630458817.db2.gz JBFBJMAYTIFXSC-UHFFFAOYSA-N 0 0 323.849 3.068 20 10 DGCDRN Cc1ccc([C@H](C)NC(=O)NCCc2ccc(N)cc2)s1 ZINC000841729220 630460125 /nfs/dbraw/zinc/46/01/25/630460125.db2.gz DZWFVMVKNRBJOD-LBPRGKRZSA-N 0 0 303.431 3.242 20 10 DGCDRN C[C@H](CNC(=O)NCCc1ccc(N)cc1)c1ccc(F)cc1 ZINC000841739540 630461098 /nfs/dbraw/zinc/46/10/98/630461098.db2.gz HUIDFLGMTHBKPD-CYBMUJFWSA-N 0 0 315.392 3.053 20 10 DGCDRN CC(C)C(=O)N1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841743546 630461301 /nfs/dbraw/zinc/46/13/01/630461301.db2.gz AVQJQVVBBZLCQI-LBPRGKRZSA-N 0 0 324.852 3.343 20 10 DGCDRN C[C@H]([NH2+]CCc1cn2c(n1)CCCC2)c1ccc(Cl)cc1[O-] ZINC000841745660 630461600 /nfs/dbraw/zinc/46/16/00/630461600.db2.gz RYRHLDHVWAXEDB-LBPRGKRZSA-N 0 0 319.836 3.472 20 10 DGCDRN C[C@H]([NH2+]CCCOC[C@@H]1CCCO1)c1ccc(Cl)cc1[O-] ZINC000841745350 630461685 /nfs/dbraw/zinc/46/16/85/630461685.db2.gz YFOBSPMWRZPJGV-JSGCOSHPSA-N 0 0 313.825 3.282 20 10 DGCDRN C[C@@H]([NH2+][C@H]1COCc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000841761656 630463257 /nfs/dbraw/zinc/46/32/57/630463257.db2.gz QQNQVGWETGHRSH-BZNIZROVSA-N 0 0 314.341 3.223 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@@H](CC2CCC2)C(=O)[O-])cc1 ZINC000841817008 630468662 /nfs/dbraw/zinc/46/86/62/630468662.db2.gz GZVIRRBJOMKYBP-KRWDZBQOSA-N 0 0 304.434 3.266 20 10 DGCDRN Nc1ccc(CCNC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1 ZINC000841837798 630470609 /nfs/dbraw/zinc/47/06/09/630470609.db2.gz XUJFFNSVKJMLOH-ZMSDIMECSA-N 0 0 301.434 3.079 20 10 DGCDRN C[C@H]1CC(C)(C)CC[C@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841850227 630471077 /nfs/dbraw/zinc/47/10/77/630471077.db2.gz FVHVEJKGNWXVOO-XJKSGUPXSA-N 0 0 303.450 3.325 20 10 DGCDRN Nc1ccc(CCNC(=O)N[C@@H]2CCCc3sccc32)cc1 ZINC000841876263 630472440 /nfs/dbraw/zinc/47/24/40/630472440.db2.gz AGDRKWLBYQGLEF-OAHLLOKOSA-N 0 0 315.442 3.250 20 10 DGCDRN C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841869846 630472592 /nfs/dbraw/zinc/47/25/92/630472592.db2.gz QZHHDHNQMKOXSG-AUUYWEPGSA-N 0 0 323.440 3.434 20 10 DGCDRN CC[C@H](C)[C@H](C)N(C(=O)NCCc1ccc(N)cc1)C1CC1 ZINC000841957146 630476812 /nfs/dbraw/zinc/47/68/12/630476812.db2.gz FRYJNDZLNFNMLW-KBPBESRZSA-N 0 0 303.450 3.420 20 10 DGCDRN CC(C)(C)[C@@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841960220 630477177 /nfs/dbraw/zinc/47/71/77/630477177.db2.gz YGBUDLNMVRNIRE-OAHLLOKOSA-N 0 0 303.450 3.279 20 10 DGCDRN Cc1ccccc1C1=CCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841960765 630477183 /nfs/dbraw/zinc/47/71/83/630477183.db2.gz WQJWUVIULITHAC-UHFFFAOYSA-N 0 0 321.424 3.229 20 10 DGCDRN C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)[C@@H]2CCCC[C@@H]21 ZINC000841960934 630477189 /nfs/dbraw/zinc/47/71/89/630477189.db2.gz YALVSZPMWFWBRE-KBRIMQKVSA-N 0 0 301.434 3.031 20 10 DGCDRN CC1(C)CN(C(=O)NCCc2ccc(N)cc2)CC(C)(C)C1 ZINC000841959265 630477357 /nfs/dbraw/zinc/47/73/57/630477357.db2.gz LVKGFDPQWBFLND-UHFFFAOYSA-N 0 0 303.450 3.279 20 10 DGCDRN Cn1c2ccc(OCCC3OCCO3)cc2c2c1CCCC2 ZINC000842662206 630559277 /nfs/dbraw/zinc/55/92/77/630559277.db2.gz NGENYBVKKVHVDF-UHFFFAOYSA-N 0 0 301.386 3.199 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)[C@H]3C[C@@H]3C(C)C)C2)cc1 ZINC000842875090 630588228 /nfs/dbraw/zinc/58/82/28/630588228.db2.gz JXXAATTXJSVKQH-QGTPRVQTSA-N 0 0 317.429 3.357 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)[C@@H]3CC34CCC4)C2)cc1 ZINC000842878090 630588565 /nfs/dbraw/zinc/58/85/65/630588565.db2.gz HAMRQKYAAOCTAC-YOEHRIQHSA-N 0 0 315.413 3.255 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)[C@@H]3CC3(C)C)C2)cc1 ZINC000842877833 630588664 /nfs/dbraw/zinc/58/86/64/630588664.db2.gz DJPMOGZOQLSXPK-BBRMVZONSA-N 0 0 303.402 3.111 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)CC(F)F)c1 ZINC000842891029 630590618 /nfs/dbraw/zinc/59/06/18/630590618.db2.gz WIRZYYVPTUCHKP-VHSXEESVSA-N 0 0 301.333 3.121 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)CC(F)F)c1 ZINC000842891030 630590839 /nfs/dbraw/zinc/59/08/39/630590839.db2.gz WIRZYYVPTUCHKP-ZJUUUORDSA-N 0 0 301.333 3.121 20 10 DGCDRN CC[C@@H]([NH2+][C@@H]1COC[C@H]1OC)c1ccc(Cl)c(Cl)c1[O-] ZINC000842912768 630593146 /nfs/dbraw/zinc/59/31/46/630593146.db2.gz VVQHNYBMRWKPMH-IJLUTSLNSA-N 0 0 320.216 3.154 20 10 DGCDRN CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])[C@@H]1SC ZINC000842923909 630593631 /nfs/dbraw/zinc/59/36/31/630593631.db2.gz MBZGPXNCBAKOGJ-QBVOZJPGSA-N 0 0 317.401 3.230 20 10 DGCDRN COc1cccc(CNC(=O)Nc2cc(F)cc(F)c2)c1O ZINC000104987671 630601384 /nfs/dbraw/zinc/60/13/84/630601384.db2.gz SVNBQSCVCWMGDV-UHFFFAOYSA-N 0 0 308.284 3.001 20 10 DGCDRN [NH3+]C[C@@H]1c2ccccc2CCN1Cc1c([O-])ccc(Cl)c1F ZINC000843128771 630617058 /nfs/dbraw/zinc/61/70/58/630617058.db2.gz LJVZQTVTAQXCBY-OAHLLOKOSA-N 0 0 320.795 3.243 20 10 DGCDRN Cc1ccc(OCCc2nc(Cc3ccc(N)cc3)no2)c(C)c1 ZINC000843158638 630622829 /nfs/dbraw/zinc/62/28/29/630622829.db2.gz FECOXPWTMYRDMO-UHFFFAOYSA-N 0 0 323.396 3.481 20 10 DGCDRN C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)Cc1ccc(N)cc1 ZINC000843495272 630662804 /nfs/dbraw/zinc/66/28/04/630662804.db2.gz QDJCZNJKMWVYIN-STQMWFEESA-N 0 0 312.388 3.485 20 10 DGCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)C2(F)CC2)cc1 ZINC000843544134 630669347 /nfs/dbraw/zinc/66/93/47/630669347.db2.gz JLBFUMPPFQXMAD-UHFFFAOYSA-N 0 0 318.314 3.146 20 10 DGCDRN COC1(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1 ZINC000843776537 630700499 /nfs/dbraw/zinc/70/04/99/630700499.db2.gz PASHUJDBNQDDAC-UHFFFAOYSA-N 0 0 316.445 3.251 20 10 DGCDRN CC1=C(C)C[C@H](C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CC1 ZINC000843851873 630702019 /nfs/dbraw/zinc/70/20/19/630702019.db2.gz SLFIXYFDODRJIP-DZGCQCFKSA-N 0 0 303.402 3.282 20 10 DGCDRN O=C(NCc1cccc(Br)c1O)C1CC2(CCC2)C1 ZINC000843867015 630702196 /nfs/dbraw/zinc/70/21/96/630702196.db2.gz IHVBTQWOVLSSRN-UHFFFAOYSA-N 0 0 324.218 3.351 20 10 DGCDRN COC[C@@H]1CCN1C(=O)c1sccc1-n1c(C)ccc1C ZINC000843894201 630702795 /nfs/dbraw/zinc/70/27/95/630702795.db2.gz UGYHPXSRTQVWRR-ZDUSSCGKSA-N 0 0 304.415 3.017 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCC[C@H]1C1CCC1 ZINC000844124221 630710103 /nfs/dbraw/zinc/71/01/03/630710103.db2.gz RSKAKEVSMBACTE-HQPKTYMTSA-N 0 0 301.386 3.292 20 10 DGCDRN COc1ccc(/C=C2/SC(=S)N(C3CC3)C2=O)c(F)c1 ZINC000844269482 630714837 /nfs/dbraw/zinc/71/48/37/630714837.db2.gz SSPGBEVXENWGBQ-WUXMJOGZSA-N 0 0 309.387 3.198 20 10 DGCDRN COc1ccc(N(C)Cc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000844353220 630720809 /nfs/dbraw/zinc/72/08/09/630720809.db2.gz REEIXGRHCUOZCV-UHFFFAOYSA-N 0 0 302.330 3.248 20 10 DGCDRN COc1ccc(N(C)CCN(C)Cc2ncc(C)s2)cc1 ZINC000844402106 630724931 /nfs/dbraw/zinc/72/49/31/630724931.db2.gz UWVLOOAZPUBRIP-UHFFFAOYSA-N 0 0 305.447 3.028 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)N[C@@H](C1CC1)C(F)(F)F ZINC000844661982 630762608 /nfs/dbraw/zinc/76/26/08/630762608.db2.gz CNENVVGDDLJPSC-NSHDSACASA-N 0 0 322.714 3.186 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)c2ccccc2C)cc1 ZINC000844851785 630943151 /nfs/dbraw/zinc/94/31/51/630943151.db2.gz GPHMXMLODXTXIG-UHFFFAOYSA-N 0 0 312.413 3.212 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)c2c(C)coc2C)cc1 ZINC000844857385 630947282 /nfs/dbraw/zinc/94/72/82/630947282.db2.gz VKWZSUWQDXPIHK-UHFFFAOYSA-N 0 0 316.401 3.113 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)C(C)=C2CCC2)cc1 ZINC000844857548 630947312 /nfs/dbraw/zinc/94/73/12/630947312.db2.gz ZYUUWRQKKIWTJF-UHFFFAOYSA-N 0 0 302.418 3.090 20 10 DGCDRN COc1cccc(CNC(=O)c2cccc3c(C)c(C)[nH]c32)c1O ZINC000105651809 630950578 /nfs/dbraw/zinc/95/05/78/630950578.db2.gz WQRIJXVSZGVGPQ-UHFFFAOYSA-N 0 0 324.380 3.429 20 10 DGCDRN COc1cccc(CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)c1O ZINC000105653018 630950865 /nfs/dbraw/zinc/95/08/65/630950865.db2.gz BNBQQZJPWDHQSV-UHFFFAOYSA-N 0 0 324.380 3.429 20 10 DGCDRN C[C@H]([NH2+][C@H]1CNc2ccccc2C1)c1cc(F)cc(F)c1[O-] ZINC000844920866 630982890 /nfs/dbraw/zinc/98/28/90/630982890.db2.gz NQVCRIWQRDKKSU-GXFFZTMASA-N 0 0 304.340 3.358 20 10 DGCDRN Cc1noc(C)c1[C@@H](C)NC(=O)NCc1cc(Cl)ccc1O ZINC000844972287 631017333 /nfs/dbraw/zinc/01/73/33/631017333.db2.gz DRFWFSWRZSXINB-MRVPVSSYSA-N 0 0 323.780 3.211 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC1(C2CCC2)CC1 ZINC000844993374 631027856 /nfs/dbraw/zinc/02/78/56/631027856.db2.gz WKHOGMSWFNJASK-UHFFFAOYSA-N 0 0 301.434 3.193 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCCC(F)(F)C1 ZINC000845062948 631063303 /nfs/dbraw/zinc/06/33/03/631063303.db2.gz FHEDBOTWPIJBNW-NSHDSACASA-N 0 0 318.751 3.423 20 10 DGCDRN CC(C)OCCCCNC(=O)NCc1cc(Cl)ccc1O ZINC000845105741 631075764 /nfs/dbraw/zinc/07/57/64/631075764.db2.gz ASSYTGRUGNRIOK-UHFFFAOYSA-N 0 0 314.813 3.050 20 10 DGCDRN C[C@H](NC(=O)N1CCCC(F)(F)C1)c1ccc(N(C)C)cc1 ZINC000845124617 631087005 /nfs/dbraw/zinc/08/70/05/631087005.db2.gz IJEFSNSAYJIEOC-LBPRGKRZSA-N 0 0 311.376 3.254 20 10 DGCDRN Oc1ccc(Cl)cc1CNc1ccnc(N2CCCCC2)n1 ZINC000845709487 631190619 /nfs/dbraw/zinc/19/06/19/631190619.db2.gz RPIUWPNAJVRDAF-UHFFFAOYSA-N 0 0 318.808 3.438 20 10 DGCDRN COCCOCc1ccc(CN(C)c2ccc(OC)cc2)cc1 ZINC000845997932 631205228 /nfs/dbraw/zinc/20/52/28/631205228.db2.gz FQJJDDNSOVLWIL-UHFFFAOYSA-N 0 0 315.413 3.495 20 10 DGCDRN COc1cccc([C@H](C)Nc2ccc(OC3COC3)cc2)c1O ZINC000846166142 631212941 /nfs/dbraw/zinc/21/29/41/631212941.db2.gz QTXODLOVURWQGB-LBPRGKRZSA-N 0 0 315.369 3.352 20 10 DGCDRN CC[C@H](C)c1nnc([C@@H](C)N[C@@H](C)c2cccc(OC)c2O)[nH]1 ZINC000846167009 631213171 /nfs/dbraw/zinc/21/31/71/631213171.db2.gz QRPGHNGCGDBEKQ-SDDRHHMPSA-N 0 0 318.421 3.444 20 10 DGCDRN CC[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000846193763 631214460 /nfs/dbraw/zinc/21/44/60/631214460.db2.gz OGECOPJYRJZFKC-VMAXQDLPSA-N 0 0 317.216 3.004 20 10 DGCDRN C[C@@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000846190462 631214488 /nfs/dbraw/zinc/21/44/88/631214488.db2.gz XYNZBCYAPPDBTO-PIGZYNQJSA-N 0 0 320.389 3.156 20 10 DGCDRN Cc1cc(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])ccc1N(C)C ZINC000846265606 631218046 /nfs/dbraw/zinc/21/80/46/631218046.db2.gz NGAJROZYFLUSHT-JQHSSLGASA-N 0 0 316.445 3.279 20 10 DGCDRN Cc1noc(C)c1C(C)(C)C(=O)NCc1cc(Cl)ccc1O ZINC000846472572 631249506 /nfs/dbraw/zinc/24/95/06/631249506.db2.gz AMKOVWBONYRILI-UHFFFAOYSA-N 0 0 322.792 3.244 20 10 DGCDRN CC(C)(C(=O)NCc1cc(Cl)ccc1O)C1CCOCC1 ZINC000846472632 631249580 /nfs/dbraw/zinc/24/95/80/631249580.db2.gz CNYDPTQPCUTESX-UHFFFAOYSA-N 0 0 311.809 3.115 20 10 DGCDRN Cc1csc(CCCC(=O)NCc2cc(Cl)ccc2O)n1 ZINC000846475693 631250461 /nfs/dbraw/zinc/25/04/61/631250461.db2.gz FVRKZODPWPNKQB-UHFFFAOYSA-N 0 0 324.833 3.450 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1csc(NC2CC2)n1 ZINC000846474597 631250828 /nfs/dbraw/zinc/25/08/28/631250828.db2.gz WESVXMLDSLGYBJ-UHFFFAOYSA-N 0 0 323.805 3.006 20 10 DGCDRN CC(C)(C)c1ncc(C(=O)NCc2cc(Cl)ccc2O)cn1 ZINC000846477474 631251174 /nfs/dbraw/zinc/25/11/74/631251174.db2.gz RGBQLDNZVSTAKV-UHFFFAOYSA-N 0 0 319.792 3.063 20 10 DGCDRN Cc1cc(C(=O)NCc2cc(Cl)ccc2O)nn1C(C)C ZINC000846477621 631251414 /nfs/dbraw/zinc/25/14/14/631251414.db2.gz UEYFQDAMAYRVOH-UHFFFAOYSA-N 0 0 307.781 3.061 20 10 DGCDRN Cc1ccc(C(=O)N2CCc3ccccc3[C@@H](C)C2)c(O)c1O ZINC000846515175 631254112 /nfs/dbraw/zinc/25/41/12/631254112.db2.gz BWWWDRUOJXLRPJ-ZDUSSCGKSA-N 0 0 311.381 3.208 20 10 DGCDRN COc1ccc(CC(C)(C)NC(=O)C2=CC(=O)CS2)cc1 ZINC000846656463 631280273 /nfs/dbraw/zinc/28/02/73/631280273.db2.gz YLHYBKFVDRFATM-UHFFFAOYSA-N 0 0 305.399 3.213 20 10 DGCDRN C[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)CCc2ccccc21 ZINC000846662016 631281202 /nfs/dbraw/zinc/28/12/02/631281202.db2.gz PLMDHOJOEAYHLJ-NSHDSACASA-N 0 0 315.344 3.039 20 10 DGCDRN Nc1ccc(Cc2nc(C(=O)N[C@H]3CC=CCC3)cs2)cc1 ZINC000846685123 631285040 /nfs/dbraw/zinc/28/50/40/631285040.db2.gz ZMQATZPBWBPMHJ-AWEZNQCLSA-N 0 0 313.426 3.155 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]1OCc2ccccc21 ZINC000846876389 631336706 /nfs/dbraw/zinc/33/67/06/631336706.db2.gz REQHMIYYQRNXNA-IBGZPJMESA-N 0 0 324.424 3.339 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C(C)=C\c1cccnc1)C[C@@H](C)O2 ZINC000846888206 631341482 /nfs/dbraw/zinc/34/14/82/631341482.db2.gz GUYLULXEYVLJBL-RNQWEJQRSA-N 0 0 324.380 3.308 20 10 DGCDRN CCCCN(Cc1cc(C(C)=O)no1)Cc1ccccc1O ZINC000846894240 631343889 /nfs/dbraw/zinc/34/38/89/631343889.db2.gz VDVFMYOBDCIYBP-UHFFFAOYSA-N 0 0 302.374 3.385 20 10 DGCDRN CN(CCCN1CCOC1=O)c1ccc(-c2nccs2)cc1 ZINC000846993434 631376315 /nfs/dbraw/zinc/37/63/15/631376315.db2.gz QTRGRIMIZOCHPB-UHFFFAOYSA-N 0 0 317.414 3.089 20 10 DGCDRN C/C(=C/c1ccccn1)C(=O)NCCCSc1nccs1 ZINC000847488095 631480956 /nfs/dbraw/zinc/48/09/56/631480956.db2.gz SUHXMUALIYEMFX-QXMHVHEDSA-N 0 0 319.455 3.240 20 10 DGCDRN C/C(=C/c1ccncc1)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000847591096 631494116 /nfs/dbraw/zinc/49/41/16/631494116.db2.gz PFMWJQQPQIOKKW-OWBHPGMISA-N 0 0 322.408 3.386 20 10 DGCDRN Cc1ccc(C(=O)N2CCSC23CCCCC3)c(O)c1O ZINC000848051222 631604565 /nfs/dbraw/zinc/60/45/65/631604565.db2.gz AENCBPDYMAQICQ-UHFFFAOYSA-N 0 0 307.415 3.256 20 10 DGCDRN CCC1=S=C(C(=O)Nc2ccc(N=S(C)(C)=O)cc2)C=C1 ZINC000848126063 631615712 /nfs/dbraw/zinc/61/57/12/631615712.db2.gz BHCHIUQOUPXZCO-UHFFFAOYSA-N 0 0 322.455 3.042 20 10 DGCDRN COc1ccc2c(c1)[C@@H](C(=O)NCCc1ccc(N)cc1)CCC2 ZINC000848395862 631653773 /nfs/dbraw/zinc/65/37/73/631653773.db2.gz XEFZWGXLYNLZRJ-SFHVURJKSA-N 0 0 324.424 3.056 20 10 DGCDRN COc1cc(Br)cc([C@@H](C)NCC(C)(F)F)c1O ZINC000848551166 631689591 /nfs/dbraw/zinc/68/95/91/631689591.db2.gz FOUULVKRUNITCD-SSDOTTSWSA-N 0 0 324.165 3.469 20 10 DGCDRN CCc1cccc(CNc2ccc(OCCCO)cc2)c1O ZINC000848911776 631784508 /nfs/dbraw/zinc/78/45/08/631784508.db2.gz ZCKAXKZRTDQKQH-UHFFFAOYSA-N 0 0 301.386 3.328 20 10 DGCDRN CCc1cccc(CN[C@H](C)c2ncc(C(=O)OC)s2)c1O ZINC000848917478 631786217 /nfs/dbraw/zinc/78/62/17/631786217.db2.gz GXKQDNIJFCJNFU-SNVBAGLBSA-N 0 0 320.414 3.049 20 10 DGCDRN CCc1cccc(CNc2ccc(COCCO)cc2)c1O ZINC000848918285 631786307 /nfs/dbraw/zinc/78/63/07/631786307.db2.gz UVNKIFKWMIJYHT-UHFFFAOYSA-N 0 0 301.386 3.076 20 10 DGCDRN CN(C)c1ccc(/C=C/CN2Cc3ccccc3NC(=O)C2)cc1 ZINC000848925260 631789452 /nfs/dbraw/zinc/78/94/52/631789452.db2.gz APFHSMQSLSIFCK-AATRIKPKSA-N 0 0 321.424 3.220 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=S)NCC1CC1 ZINC000849254402 631868560 /nfs/dbraw/zinc/86/85/60/631868560.db2.gz KRTJNWGSUMXPFD-UHFFFAOYSA-N 0 0 305.491 3.248 20 10 DGCDRN COc1cc(CNc2ncc(C)cn2)c(O)c(C(C)(C)C)c1 ZINC000849346479 631898807 /nfs/dbraw/zinc/89/88/07/631898807.db2.gz WVKWJKHYWDDABD-UHFFFAOYSA-N 0 0 301.390 3.409 20 10 DGCDRN COc1cc(CNc2cncc(OC)n2)c(O)c(C(C)(C)C)c1 ZINC000849346895 631899384 /nfs/dbraw/zinc/89/93/84/631899384.db2.gz HHTGUPMZXHBNMS-UHFFFAOYSA-N 0 0 317.389 3.109 20 10 DGCDRN CCN(CC)c1ccc(CNc2ccc3c(c2)CCNC3=O)cc1 ZINC000849346841 631899454 /nfs/dbraw/zinc/89/94/54/631899454.db2.gz DBHWKMMQGZFWIU-UHFFFAOYSA-N 0 0 323.440 3.431 20 10 DGCDRN Clc1cnc(SCc2nnc3n2CCCCC3)s1 ZINC000849999129 632024900 /nfs/dbraw/zinc/02/49/00/632024900.db2.gz OIRGWVYXYNMEMJ-UHFFFAOYSA-N 0 0 300.840 3.407 20 10 DGCDRN CCOC(=O)C(C)(C)C(=O)CSc1ncc(Cl)s1 ZINC000850000179 632025456 /nfs/dbraw/zinc/02/54/56/632025456.db2.gz LRQGOOCTYCVOHU-UHFFFAOYSA-N 0 0 307.824 3.047 20 10 DGCDRN C[C@@H]1C[C@@H](NCc2ccc(N3CCCCC3)cc2)c2ncnn21 ZINC000850352411 632122875 /nfs/dbraw/zinc/12/28/75/632122875.db2.gz VAQXDODHEZLJAM-RHSMWYFYSA-N 0 0 311.433 3.064 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H](C)c2nccn2C)c1 ZINC000850409580 632143140 /nfs/dbraw/zinc/14/31/40/632143140.db2.gz BVEKNMQRYVDHMJ-JTQLQIEISA-N 0 0 324.222 3.047 20 10 DGCDRN CC[C@H]([NH2+]C[C@H](OC)[C@@H]1CCOC1)c1cccc(Cl)c1[O-] ZINC000850485215 632166849 /nfs/dbraw/zinc/16/68/49/632166849.db2.gz ZAZKYQOSPFDZAO-UGFHNGPFSA-N 0 0 313.825 3.138 20 10 DGCDRN CC[C@@H](COCC1CC1)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850495208 632171714 /nfs/dbraw/zinc/17/17/14/632171714.db2.gz YJHMJTHBOZVQCR-YPMHNXCESA-N 0 0 308.378 3.156 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1cc(F)cc(F)c1[O-] ZINC000850500813 632172402 /nfs/dbraw/zinc/17/24/02/632172402.db2.gz GOUKJJDWISMHAW-BIPKQBFHSA-N 0 0 317.401 3.011 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1)c1ccc(Cl)cc1[O-] ZINC000850501351 632173641 /nfs/dbraw/zinc/17/36/41/632173641.db2.gz AJUGCRBCDVZJAI-SPQIJUHKSA-N 0 0 315.866 3.386 20 10 DGCDRN C[C@H]([NH2+]C/C=C\CO)c1cc(Br)cc(Cl)c1[O-] ZINC000850508688 632174359 /nfs/dbraw/zinc/17/43/59/632174359.db2.gz NDDBJKPLYNZLIF-KZUAUGPASA-N 0 0 320.614 3.007 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCOC(C)(C)C)c1 ZINC000850524287 632180058 /nfs/dbraw/zinc/18/00/58/632180058.db2.gz BGTPQJVDQPVIDP-GFCCVEGCSA-N 0 0 309.406 3.035 20 10 DGCDRN CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000850569860 632197453 /nfs/dbraw/zinc/19/74/53/632197453.db2.gz BMLCRZFQSZGFKO-BLBGDKDGSA-N 0 0 318.186 3.122 20 10 DGCDRN Cc1ccc(N2CCN(C(=O)Nc3ccc(N)cc3)CC2)c(C)c1 ZINC000850749643 632214289 /nfs/dbraw/zinc/21/42/89/632214289.db2.gz DWGSUUYZRGEILU-UHFFFAOYSA-N 0 0 324.428 3.240 20 10 DGCDRN Cc1c(Cl)cccc1NC(=O)CN(C)Cc1ccccc1O ZINC000109772549 632316090 /nfs/dbraw/zinc/31/60/90/632316090.db2.gz DXUOXKBFLGQHJS-UHFFFAOYSA-N 0 0 318.804 3.425 20 10 DGCDRN Cc1ccc(C(=O)OCCOc2ccc(Cl)cc2)c(O)c1O ZINC000110005012 632420814 /nfs/dbraw/zinc/42/08/14/632420814.db2.gz WOPXLTAXEMIFGE-UHFFFAOYSA-N 0 0 322.744 3.295 20 10 DGCDRN CC[C@@H](C)CCNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000851641315 632465518 /nfs/dbraw/zinc/46/55/18/632465518.db2.gz KCVBGHHZBQKSDA-GFCCVEGCSA-N 0 0 317.458 3.482 20 10 DGCDRN Nc1ccc(CCNC(=O)NC2CCC3(CC3(F)F)CC2)cc1 ZINC000851664565 632467992 /nfs/dbraw/zinc/46/79/92/632467992.db2.gz FQMJJQVTLMZUDV-UHFFFAOYSA-N 0 0 323.387 3.079 20 10 DGCDRN COc1ccc(N2CCCN(Cc3nc(C)oc3C)CC2)cc1 ZINC000851733087 632478379 /nfs/dbraw/zinc/47/83/79/632478379.db2.gz JMJUNIJFQQMENP-UHFFFAOYSA-N 0 0 315.417 3.012 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CCc2nc3ccccc3o2)cc1 ZINC000008171819 632545372 /nfs/dbraw/zinc/54/53/72/632545372.db2.gz JCIGNKKRISCJKM-UHFFFAOYSA-N 0 0 323.396 3.143 20 10 DGCDRN CC[C@@H](C)CCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000852138473 632561379 /nfs/dbraw/zinc/56/13/79/632561379.db2.gz OTYWIFITWICZLG-OAHLLOKOSA-N 0 0 301.434 3.298 20 10 DGCDRN CO[C@H](CN(C)c1ccc(-c2nccs2)cc1)[C@H]1CCOC1 ZINC000852165246 632565793 /nfs/dbraw/zinc/56/57/93/632565793.db2.gz AHUUXXRVNYAMGS-GOEBONIOSA-N 0 0 318.442 3.298 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CC3(CCC3)OC[C@H]2C)c1O ZINC000852441998 632603954 /nfs/dbraw/zinc/60/39/54/632603954.db2.gz VVDHRPYMSSMZKM-LLVKDONJSA-N 0 0 323.820 3.392 20 10 DGCDRN COc1cccc(CNC(=O)NCCC2=CCCCCC2)c1O ZINC000185262920 660211639 /nfs/dbraw/zinc/21/16/39/660211639.db2.gz WHOBVGBFTBRDIH-UHFFFAOYSA-N 0 0 318.417 3.481 20 10 DGCDRN O=C(C[C@H]1CCCO1)N(Cc1ccco1)Cc1ccccc1O ZINC000173673447 659396393 /nfs/dbraw/zinc/39/63/93/659396393.db2.gz VBTBJWFQERREHZ-OAHLLOKOSA-N 0 0 315.369 3.083 20 10 DGCDRN CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2O)C1(C)C ZINC000185791561 660242349 /nfs/dbraw/zinc/24/23/49/660242349.db2.gz UVJNNKZMMMWQJU-HUUCEWRRSA-N 0 0 321.417 3.154 20 10 DGCDRN O=C(Nc1ccc(F)cc1NC1CC1)c1cccc(O)c1O ZINC000185839831 660247726 /nfs/dbraw/zinc/24/77/26/660247726.db2.gz JECJTKCAWDWECN-UHFFFAOYSA-N 0 0 302.305 3.064 20 10 DGCDRN COc1cccc(CNC(=O)N[C@@H](C)CCCC(C)C)c1O ZINC000073430103 660339874 /nfs/dbraw/zinc/33/98/74/660339874.db2.gz PVPINBPZOJUJCK-ZDUSSCGKSA-N 0 0 308.422 3.415 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC1(Cc2ccccc2)CC1 ZINC000186279656 660358281 /nfs/dbraw/zinc/35/82/81/660358281.db2.gz UCWBGPUIHMMAJI-VQHVLOKHSA-N 0 0 309.365 3.003 20 10 DGCDRN Cc1cc(C(=O)NCCc2ccccc2)c(C)n1-c1ccccn1 ZINC000073743968 660544340 /nfs/dbraw/zinc/54/43/40/660544340.db2.gz JHKXFEJNNNOJJB-UHFFFAOYSA-N 0 0 319.408 3.462 20 10 DGCDRN COc1cccc(CNC(=O)NC[C@@H]2CCC[C@H](C)C2)c1O ZINC000073831912 660565344 /nfs/dbraw/zinc/56/53/44/660565344.db2.gz XYXPZPWCWYQTQR-QWHCGFSZSA-N 0 0 306.406 3.026 20 10 DGCDRN CC[C@@H](CCO)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708098544 660918182 /nfs/dbraw/zinc/91/81/82/660918182.db2.gz JQHQCXCJNUPZFW-JTQLQIEISA-N 0 0 322.630 3.059 20 10 DGCDRN [O-]c1c(Br)cccc1C[N@@H+]1CCC[C@H](CF)C1 ZINC000711479134 660954406 /nfs/dbraw/zinc/95/44/06/660954406.db2.gz XFQALZYRQANLNN-SNVBAGLBSA-N 0 0 302.187 3.336 20 10 DGCDRN COC(C)(C)CC[NH2+]Cc1cccc(Br)c1[O-] ZINC000711870324 660964632 /nfs/dbraw/zinc/96/46/32/660964632.db2.gz RAYHWEQTSYGQNC-UHFFFAOYSA-N 0 0 302.212 3.059 20 10 DGCDRN C[C@@H](CNC(=O)c1cccc(O)c1O)Sc1ccccc1 ZINC000187142775 660957666 /nfs/dbraw/zinc/95/76/66/660957666.db2.gz UYRHUVOQNLEZNH-NSHDSACASA-N 0 0 303.383 3.008 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H](C)c2ccc(C)cc2)c(O)c1 ZINC000792817841 660986528 /nfs/dbraw/zinc/98/65/28/660986528.db2.gz BWPILNIXBNXVIG-ZDUSSCGKSA-N 0 0 314.385 3.270 20 10 DGCDRN Cc1ccc2c(c1)CC[C@H](C(=O)NCc1ccc(N(C)C)cc1)O2 ZINC000792850709 660988949 /nfs/dbraw/zinc/98/89/49/660988949.db2.gz YOXRRCNZMORDSU-LJQANCHMSA-N 0 0 324.424 3.071 20 10 DGCDRN COc1ccc(CNC(=O)NCC[C@H]2CCCC[C@H]2C)c(O)c1 ZINC000792943885 660996151 /nfs/dbraw/zinc/99/61/51/660996151.db2.gz ZRFZSYCRZKERLF-ZIAGYGMSSA-N 0 0 320.433 3.416 20 10 DGCDRN COc1ccc(CNC(=O)NCc2c(C)cccc2C)c(O)c1 ZINC000793008929 661000094 /nfs/dbraw/zinc/00/00/94/661000094.db2.gz MYMWHZWKTXWDLI-UHFFFAOYSA-N 0 0 314.385 3.017 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC(C2CCCC2)C1 ZINC000793024455 661000756 /nfs/dbraw/zinc/00/07/56/661000756.db2.gz KJBSREOQFWOXRB-UHFFFAOYSA-N 0 0 315.461 3.393 20 10 DGCDRN COc1ccc(CNC(=O)NCCC2=CCCCCC2)c(O)c1 ZINC000793060978 661003102 /nfs/dbraw/zinc/00/31/02/661003102.db2.gz ZWBVFKMTRLUBCP-UHFFFAOYSA-N 0 0 318.417 3.481 20 10 DGCDRN COc1ccc(CNC(=O)N[C@H]2CCCC(C)(C)C2)c(O)c1 ZINC000793067272 661003475 /nfs/dbraw/zinc/00/34/75/661003475.db2.gz NISFKBDOMRVYDD-ZDUSSCGKSA-N 0 0 306.406 3.169 20 10 DGCDRN COc1ccc(CNC(=O)NC2[C@H](C)CCC[C@H]2C)c(O)c1 ZINC000793076924 661003685 /nfs/dbraw/zinc/00/36/85/661003685.db2.gz WNYHIVLZGJDSTE-VXGBXAGGSA-N 0 0 306.406 3.025 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CCCOC1 ZINC000793134594 661007044 /nfs/dbraw/zinc/00/70/44/661007044.db2.gz UOPSMDWJCNLRBN-QGZVFWFLSA-N 0 0 318.461 3.306 20 10 DGCDRN CC(C)SCCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000806008219 661015301 /nfs/dbraw/zinc/01/53/01/661015301.db2.gz COWVIDAZDXMZKK-UHFFFAOYSA-N 0 0 322.474 3.212 20 10 DGCDRN CC[C@@H](C)[C@@H](OC)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000793241367 661016854 /nfs/dbraw/zinc/01/68/54/661016854.db2.gz NIKSZCCKMRFGAX-CRAIPNDOSA-N 0 0 318.461 3.354 20 10 DGCDRN CCN(CC)c1ccc(CNCc2cccnc2F)cc1F ZINC000793290685 661021658 /nfs/dbraw/zinc/02/16/58/661021658.db2.gz VIQGRMMMTDSMIZ-UHFFFAOYSA-N 0 0 305.372 3.496 20 10 DGCDRN C[C@@H]([NH2+]Cc1cnc2n1CCCC2)c1cc(F)cc(F)c1[O-] ZINC000793567504 661046780 /nfs/dbraw/zinc/04/67/80/661046780.db2.gz YPFWNJXJBYGZPJ-SNVBAGLBSA-N 0 0 307.344 3.054 20 10 DGCDRN COc1ccc(N(C)Cc2cnc(C(C)(C)C)nc2)cc1OC ZINC000793588104 661048145 /nfs/dbraw/zinc/04/81/45/661048145.db2.gz ZEZRPAROMKGWOX-UHFFFAOYSA-N 0 0 315.417 3.428 20 10 DGCDRN C[C@@H](NC(=O)[C@@H]1Cc2ccc(F)cc21)c1ccc(N(C)C)cc1 ZINC000793857227 661060876 /nfs/dbraw/zinc/06/08/76/661060876.db2.gz TXCBJVODGULNPB-KZULUSFZSA-N 0 0 312.388 3.409 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ncccc1Cl ZINC000794336365 661079328 /nfs/dbraw/zinc/07/93/28/661079328.db2.gz NMJLZUQZKDUHGC-UHFFFAOYSA-N 0 0 303.793 3.039 20 10 DGCDRN COc1ccc(CNC(=O)c2cc(C)n(C(C)C)c2C)c(O)c1 ZINC000794382027 661081726 /nfs/dbraw/zinc/08/17/26/661081726.db2.gz VWPMAKFQLLUCFD-UHFFFAOYSA-N 0 0 316.401 3.330 20 10 DGCDRN COc1ccc(CNC(=O)[C@H](SC)c2ccccc2)c(O)c1 ZINC000794382732 661082066 /nfs/dbraw/zinc/08/20/66/661082066.db2.gz GBPOZTRGYRMZNS-MRXNPFEDSA-N 0 0 317.410 3.121 20 10 DGCDRN COc1ccc(CNC(=O)c2csc3c2CCCC3)c(O)c1 ZINC000794383514 661082083 /nfs/dbraw/zinc/08/20/83/661082083.db2.gz QTHBWHPPEJVHTR-UHFFFAOYSA-N 0 0 317.410 3.271 20 10 DGCDRN COc1ccc(CNC(=O)c2scc(C)c2Cl)c(O)c1 ZINC000794382213 661082108 /nfs/dbraw/zinc/08/21/08/661082108.db2.gz ZNIMPHWBKPVXDR-UHFFFAOYSA-N 0 0 311.790 3.354 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@@H](C(F)(F)F)C2)cc1 ZINC000794618504 661093987 /nfs/dbraw/zinc/09/39/87/661093987.db2.gz IXTNSIJSWJEKMN-CHWSQXEVSA-N 0 0 314.351 3.347 20 10 DGCDRN CC[C@@H](C)CCC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000794763971 661104708 /nfs/dbraw/zinc/10/47/08/661104708.db2.gz OSRZREAQPHJZRV-OAHLLOKOSA-N 0 0 304.434 3.170 20 10 DGCDRN CC[C@H](Nc1cccc(C(N)=O)c1OC)c1ccc(C)cc1O ZINC000794813539 661107141 /nfs/dbraw/zinc/10/71/41/661107141.db2.gz ALDXVZAKYXSQMY-AWEZNQCLSA-N 0 0 314.385 3.371 20 10 DGCDRN CCn1ncnc1C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000794840192 661108586 /nfs/dbraw/zinc/10/85/86/661108586.db2.gz HCBUZRBTEQPENL-QMMMGPOBSA-N 0 0 315.204 3.161 20 10 DGCDRN COC(=O)c1ccc(NCc2cc(C)ccc2O)cc1OC ZINC000794969359 661117804 /nfs/dbraw/zinc/11/78/04/661117804.db2.gz IJKFTGKFUXIYDQ-UHFFFAOYSA-N 0 0 301.342 3.108 20 10 DGCDRN COc1ccc(O)c(CNC(=O)/C=C\c2ccc(Cl)cc2)c1 ZINC000255028188 655565778 /nfs/dbraw/zinc/56/57/78/655565778.db2.gz UDLAXZAMNKXRFB-WTKPLQERSA-N 0 0 317.772 3.384 20 10 DGCDRN Cc1cc(C(=O)Cn2nc(C)nc2C)c(C)n1-c1cccc(C)c1 ZINC000176857345 655597138 /nfs/dbraw/zinc/59/71/38/655597138.db2.gz VMDHGAQROMDFAH-UHFFFAOYSA-N 0 0 322.412 3.494 20 10 DGCDRN Cc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(O)c1C ZINC000048386219 655601409 /nfs/dbraw/zinc/60/14/09/655601409.db2.gz GRIHNAJODLIZMT-UHFFFAOYSA-N 0 0 312.413 3.347 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)CCC1CCOCC1 ZINC000175867904 655615425 /nfs/dbraw/zinc/61/54/25/655615425.db2.gz FAWMCWCJDKSRLF-UHFFFAOYSA-N 0 0 305.418 3.338 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)NC(C1CC1)C1CC1 ZINC000175940833 655637483 /nfs/dbraw/zinc/63/74/83/655637483.db2.gz CHWRIFPVONIPJJ-UHFFFAOYSA-N 0 0 314.429 3.259 20 10 DGCDRN Cc1cc(O)c(CN2C[C@@H](C(F)(F)F)OC[C@H]2C)cc1C ZINC000795694941 661168160 /nfs/dbraw/zinc/16/81/60/661168160.db2.gz UVZWEHBFNRMBSA-RISCZKNCSA-N 0 0 303.324 3.161 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Cc2cc(F)ccc2F)c1 ZINC000176007516 655699936 /nfs/dbraw/zinc/69/99/36/655699936.db2.gz LRGVOVRKXOBJKE-SNVBAGLBSA-N 0 0 321.323 3.099 20 10 DGCDRN CC[C@](C)(NC(=O)N1Cc2cccc(O)c2C1)C(F)(F)F ZINC000933499699 655716550 /nfs/dbraw/zinc/71/65/50/655716550.db2.gz KXMCAQNRYUHUSA-ZDUSSCGKSA-N 0 0 302.296 3.148 20 10 DGCDRN CC1CCC(NC(=O)COc2ccc(N3CCCC3)cc2)CC1 ZINC000178194026 655720193 /nfs/dbraw/zinc/72/01/93/655720193.db2.gz HGPMGDNBLNTJKN-UHFFFAOYSA-N 0 0 316.445 3.361 20 10 DGCDRN C[C@@H](NC(=O)Nc1cnc(F)c(F)c1)c1ccc(N(C)C)cc1 ZINC000934396451 655773326 /nfs/dbraw/zinc/77/33/26/655773326.db2.gz NIJFSVCJBWYOCN-SNVBAGLBSA-N 0 0 320.343 3.309 20 10 DGCDRN COc1cc(Cl)c(C=C2SC(=S)NC2=O)cc1Cl ZINC000255527744 655791068 /nfs/dbraw/zinc/79/10/68/655791068.db2.gz SVGQCJKUJZRYCN-OQFOIZHKSA-N 0 0 320.222 3.491 20 10 DGCDRN O=C(/C=C\c1ccc(Cl)nc1)N1CCc2ccc(F)cc21 ZINC000255550448 655794613 /nfs/dbraw/zinc/79/46/13/655794613.db2.gz SGGUTEVUHCNJRW-KXFIGUGUSA-N 0 0 302.736 3.477 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(Cl)nc2C)c1 ZINC000162189985 655850959 /nfs/dbraw/zinc/85/09/59/655850959.db2.gz PAMBVZKGKLHYHK-JTQLQIEISA-N 0 0 320.776 3.249 20 10 DGCDRN Cc1cc(C(=O)N2CCO[C@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000039538326 655855532 /nfs/dbraw/zinc/85/55/32/655855532.db2.gz ZVYYMMJBENATIK-CYBMUJFWSA-N 0 0 316.376 3.094 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3ccc4c(c3)COC4)ccc21 ZINC000064396708 655859668 /nfs/dbraw/zinc/85/96/68/655859668.db2.gz KATFGQKSFLKYDK-UHFFFAOYSA-N 0 0 322.408 3.029 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C=C\c2cnc(C)s2)c1 ZINC000255613103 655870534 /nfs/dbraw/zinc/87/05/34/655870534.db2.gz VDCTXGJFJPOAEP-ONRRBMGISA-N 0 0 318.398 3.056 20 10 DGCDRN Cc1nc(Cl)sc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000176972303 655884963 /nfs/dbraw/zinc/88/49/63/655884963.db2.gz FULIFIIIDOXYPR-UHFFFAOYSA-N 0 0 309.822 3.101 20 10 DGCDRN CC1(C)CN(C(=O)/C=C\c2cncc(F)c2)c2ccccc2O1 ZINC000255711728 655891180 /nfs/dbraw/zinc/89/11/80/655891180.db2.gz VSXVHPQNUPAKGC-FPLPWBNLSA-N 0 0 312.344 3.438 20 10 DGCDRN CCS[C@H]1CCC[C@@H](NC(=O)c2ccc(C)c(O)c2O)C1 ZINC000179536283 655908242 /nfs/dbraw/zinc/90/82/42/655908242.db2.gz KCNSOWFJUOGOAU-NEPJUHHUSA-N 0 0 309.431 3.200 20 10 DGCDRN CC(C)CNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000065994450 655923468 /nfs/dbraw/zinc/92/34/68/655923468.db2.gz BFNRVQBFOOBMRJ-UHFFFAOYSA-N 0 0 302.374 3.353 20 10 DGCDRN Cc1ccc(NC(=O)c2ccc(C)c(O)c2O)c(C[NH+](C)C)c1 ZINC000177685746 655940089 /nfs/dbraw/zinc/94/00/89/655940089.db2.gz ZNHZMPZKIYTIHR-UHFFFAOYSA-N 0 0 314.385 3.029 20 10 DGCDRN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(N2CCCC2)cc1 ZINC000178195502 655959624 /nfs/dbraw/zinc/95/96/24/655959624.db2.gz YHZOMUHPYLYUHM-IYBDPMFKSA-N 0 0 316.445 3.455 20 10 DGCDRN CN(C)c1ccc(CNC(=O)/C=C\c2ccc(Cl)nc2)cc1 ZINC000255896377 655959811 /nfs/dbraw/zinc/95/98/11/655959811.db2.gz NLABGIXMGBFCNE-POHAHGRESA-N 0 0 315.804 3.131 20 10 DGCDRN CN1C(=O)/C(=C\c2ccc(OCC(F)F)cc2)SC1=S ZINC000255908173 655964397 /nfs/dbraw/zinc/96/43/97/655964397.db2.gz LRPHQPBXYQKGON-UXBLZVDNSA-N 0 0 315.366 3.162 20 10 DGCDRN Cc1ccnc(N2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)c1 ZINC000165929602 655992422 /nfs/dbraw/zinc/99/24/22/655992422.db2.gz LUELBHPUEMNVNM-UHFFFAOYSA-N 0 0 311.429 3.035 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCCC12OCCO2 ZINC000715621052 661213364 /nfs/dbraw/zinc/21/33/64/661213364.db2.gz FHDHULDYNGFUHD-GFCCVEGCSA-N 0 0 318.200 3.084 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]C[C@H]1CCSC1 ZINC000715786903 661214614 /nfs/dbraw/zinc/21/46/14/661214614.db2.gz BOCCYIUWKKQADU-MRVPVSSYSA-N 0 0 320.227 3.137 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[NH+]1C2CCC1CC2 ZINC000715792224 661214704 /nfs/dbraw/zinc/21/47/04/661214704.db2.gz ADCAOUMYSTZZBH-UHFFFAOYSA-N 0 0 300.171 3.421 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1CCN1Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000716177298 661219615 /nfs/dbraw/zinc/21/96/15/661219615.db2.gz MYURXIFNKRWCPQ-PBHICJAKSA-N 0 0 314.404 3.456 20 10 DGCDRN COc1ccc(SCC(=O)N(C)c2ccc(N)cc2)cc1 ZINC000037285645 661224743 /nfs/dbraw/zinc/22/47/43/661224743.db2.gz KSHGBTLLHNOTBS-UHFFFAOYSA-N 0 0 302.399 3.033 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N3CCCC4(CC4)C3)ccc21 ZINC000185292662 656125713 /nfs/dbraw/zinc/12/57/13/656125713.db2.gz BYAPLGDENCWNKU-UHFFFAOYSA-N 0 0 313.445 3.155 20 10 DGCDRN CCOC1CC(CC(=O)NCc2ccc(N(CC)CC)cc2)C1 ZINC000190381174 656160675 /nfs/dbraw/zinc/16/06/75/656160675.db2.gz AWTBGTHEKVDCNW-UHFFFAOYSA-N 0 0 318.461 3.354 20 10 DGCDRN Cc1cccc2c1O[C@@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C2 ZINC000828860844 661233099 /nfs/dbraw/zinc/23/30/99/661233099.db2.gz IPDFAPYIGPLDIL-KBXCAEBGSA-N 0 0 324.424 3.242 20 10 DGCDRN Cc1c(Cl)cccc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000194848459 656205565 /nfs/dbraw/zinc/20/55/65/656205565.db2.gz XEWFSUNTEYJGBY-JTQLQIEISA-N 0 0 319.788 3.421 20 10 DGCDRN COc1ccc(O)c([C@@H]2Nc3ccc(Cl)cc3C(=O)N2C)c1 ZINC000124723200 656252791 /nfs/dbraw/zinc/25/27/91/656252791.db2.gz SXBANVHOZHWXBO-OAHLLOKOSA-N 0 0 318.760 3.251 20 10 DGCDRN CCc1ccnc(C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000181734906 656267507 /nfs/dbraw/zinc/26/75/07/656267507.db2.gz UMCSUYXMNQOJEA-UHFFFAOYSA-N 0 0 309.413 3.174 20 10 DGCDRN Cc1cc(C)[nH]c(=NNC(=S)Nc2ccc(Cl)cc2)n1 ZINC000007556680 656549769 /nfs/dbraw/zinc/54/97/69/656549769.db2.gz DOBAMLYVALXKJL-UHFFFAOYSA-N 0 0 307.810 3.060 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2cc(F)cc(F)c2)cc1 ZINC000053984471 656566759 /nfs/dbraw/zinc/56/67/59/656566759.db2.gz JUMFXKMQKVLEMJ-UHFFFAOYSA-N 0 0 305.328 3.353 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C)C2)cc1F ZINC000261393221 656768176 /nfs/dbraw/zinc/76/81/76/656768176.db2.gz HFYVIZTUBLTDKR-CYBMUJFWSA-N 0 0 307.413 3.223 20 10 DGCDRN C[C@@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)[C@@H]1C ZINC000178617698 656965256 /nfs/dbraw/zinc/96/52/56/656965256.db2.gz ZCKRFEJRJRWPCF-ZIAGYGMSSA-N 0 0 301.434 3.009 20 10 DGCDRN CCc1ncsc1C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000178616959 656965925 /nfs/dbraw/zinc/96/59/25/656965925.db2.gz PMLKZNRMIOZWGH-UHFFFAOYSA-N 0 0 317.458 3.482 20 10 DGCDRN CC[C@H](C)CN(CC)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000178617084 656965946 /nfs/dbraw/zinc/96/59/46/656965946.db2.gz ZMEUVDQHCBPMBN-ZDUSSCGKSA-N 0 0 309.429 3.469 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)c3cccc(N)c3)cc2)CC1 ZINC000178770281 657044390 /nfs/dbraw/zinc/04/43/90/657044390.db2.gz DHHIRLXEQYUJMB-UHFFFAOYSA-N 0 0 323.440 3.435 20 10 DGCDRN O=S(=O)(NCc1ccccc1O)c1cccc2ccccc21 ZINC000319684257 657143361 /nfs/dbraw/zinc/14/33/61/657143361.db2.gz RVGZHKZNQIYDKL-UHFFFAOYSA-N 0 0 313.378 3.024 20 10 DGCDRN CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1ccc(O)c(O)c1 ZINC000067454537 657393373 /nfs/dbraw/zinc/39/33/73/657393373.db2.gz ORDZWVGHMALPNF-HNNXBMFYSA-N 0 0 318.760 3.338 20 10 DGCDRN Cc1cccc(C(=O)NCc2ccc3c(c2)CCCN3C)c1O ZINC000302951505 657504048 /nfs/dbraw/zinc/50/40/48/657504048.db2.gz DKBXZPOCCREJKR-UHFFFAOYSA-N 0 0 310.397 3.013 20 10 DGCDRN C[C@H]1CCC[C@@H](NC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000303034204 657508941 /nfs/dbraw/zinc/50/89/41/657508941.db2.gz YBRAJDXEDPCICB-WMLDXEAASA-N 0 0 315.461 3.447 20 10 DGCDRN C[C@H]1CCC[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000303034205 657509091 /nfs/dbraw/zinc/50/90/91/657509091.db2.gz YBRAJDXEDPCICB-YOEHRIQHSA-N 0 0 315.461 3.447 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(F)cc1N ZINC000320459894 657542622 /nfs/dbraw/zinc/54/26/22/657542622.db2.gz OSVVTQGMUZLFMQ-UHFFFAOYSA-N 0 0 315.392 3.136 20 10 DGCDRN Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)c(C)c1 ZINC000096733734 657553579 /nfs/dbraw/zinc/55/35/79/657553579.db2.gz YQWPNFFTODYHIX-UHFFFAOYSA-N 0 0 310.397 3.392 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)c1cc2ccccc2s1 ZINC000096968121 657578514 /nfs/dbraw/zinc/57/85/14/657578514.db2.gz HHEHYTZIXNMJDE-UHFFFAOYSA-N 0 0 313.378 3.285 20 10 DGCDRN Cc1cc(C(=O)NCCCO)c(C)n1-c1cccc(C(C)C)c1 ZINC000097477907 657641356 /nfs/dbraw/zinc/64/13/56/657641356.db2.gz IEPIXQFSKKGVNG-UHFFFAOYSA-N 0 0 314.429 3.330 20 10 DGCDRN CCC[N@@H+](Cc1ccccc1O)C[C@H](O)c1ccc(C#N)cc1 ZINC000305056789 657714954 /nfs/dbraw/zinc/71/49/54/657714954.db2.gz CUMYGJFMKFCUIZ-IBGZPJMESA-N 0 0 310.397 3.209 20 10 DGCDRN CCN(CCO)C(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000098098169 657885667 /nfs/dbraw/zinc/88/56/67/657885667.db2.gz GFTFHSOQIQBBFO-UHFFFAOYSA-N 0 0 320.820 3.202 20 10 DGCDRN COC(=O)[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000321406820 658186598 /nfs/dbraw/zinc/18/65/98/658186598.db2.gz ISPZBUPNFQQSQM-KSSFIOAISA-N 0 0 312.413 3.318 20 10 DGCDRN COc1cccc([C@H]2Nc3cc(Cl)ccc3C(=O)N2C)c1O ZINC000054440498 658313613 /nfs/dbraw/zinc/31/36/13/658313613.db2.gz OCWSPHLUUNEROB-HNNXBMFYSA-N 0 0 318.760 3.251 20 10 DGCDRN COc1ccc([C@@H]2Nc3cc(Cl)ccc3C(=O)N2C)c(O)c1 ZINC000054441461 658313918 /nfs/dbraw/zinc/31/39/18/658313918.db2.gz TUVVSINAINHVKT-OAHLLOKOSA-N 0 0 318.760 3.251 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2ccc(Cl)nc2)cc1 ZINC000128667036 658771186 /nfs/dbraw/zinc/77/11/86/658771186.db2.gz WUTOFXOTAWUWCV-UHFFFAOYSA-N 0 0 304.781 3.123 20 10 DGCDRN C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccnc1 ZINC000043788739 658834825 /nfs/dbraw/zinc/83/48/25/658834825.db2.gz CXHQPFYAGHWXCP-AWEZNQCLSA-N 0 0 312.417 3.050 20 10 DGCDRN COc1cccc([C@@H]2Nc3ccc(Cl)cc3C(=O)N2C)c1O ZINC000054682422 658880202 /nfs/dbraw/zinc/88/02/02/658880202.db2.gz QXTCDLKZNHSXHV-OAHLLOKOSA-N 0 0 318.760 3.251 20 10 DGCDRN O=C(NCCCSc1nccs1)c1cc2ccccn2c1 ZINC000074676033 658894159 /nfs/dbraw/zinc/89/41/59/658894159.db2.gz RIUCAVLGJDXNEW-UHFFFAOYSA-N 0 0 317.439 3.308 20 10 DGCDRN CC[C@H]1COCCN1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000164359586 658929799 /nfs/dbraw/zinc/92/97/99/658929799.db2.gz UERIYNFNYOZCMI-AWEZNQCLSA-N 0 0 307.434 3.309 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000158080398 659141915 /nfs/dbraw/zinc/14/19/15/659141915.db2.gz RWPDLVWPCVHVOL-NFAWXSAZSA-N 0 0 316.426 3.205 20 10 DGCDRN Cc1ncccc1C=C1SC(NC2CCCCC2)=NC1=O ZINC000171418519 659280131 /nfs/dbraw/zinc/28/01/31/659280131.db2.gz GTXQJASEYLJDFV-UVTDQMKNSA-N 0 0 301.415 3.283 20 10 DGCDRN CC(C)c1nc(C(=O)NCc2ccc(N(C)C)cc2)cs1 ZINC000171424394 659280297 /nfs/dbraw/zinc/28/02/97/659280297.db2.gz RYIYNZFVRGPEDS-UHFFFAOYSA-N 0 0 303.431 3.263 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2ccsc2)c1 ZINC000171735464 659296336 /nfs/dbraw/zinc/29/63/36/659296336.db2.gz ISOOXALEKIHLBW-JTQLQIEISA-N 0 0 306.387 3.023 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccsc2)c1 ZINC000171735467 659296626 /nfs/dbraw/zinc/29/66/26/659296626.db2.gz ISOOXALEKIHLBW-SNVBAGLBSA-N 0 0 306.387 3.023 20 10 DGCDRN CCCc1nc(C)c(C(=O)NCc2cc(OC)ccc2O)s1 ZINC000172044038 659312513 /nfs/dbraw/zinc/31/25/13/659312513.db2.gz HKJCXOKLQHKQPT-UHFFFAOYSA-N 0 0 320.414 3.048 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)Cc2cnccn2)cc1 ZINC000172166506 659320979 /nfs/dbraw/zinc/32/09/79/659320979.db2.gz MKPUUHYVEJVDAT-UHFFFAOYSA-N 0 0 320.396 3.156 20 10 DGCDRN O=C(/C=C/c1cncc(F)c1)N1CCOc2ccc(Cl)cc21 ZINC000172684165 659349494 /nfs/dbraw/zinc/34/94/94/659349494.db2.gz YYRGEDSCIQGNMR-DAFODLJHSA-N 0 0 318.735 3.313 20 10 DGCDRN CC[C@H](C)[C@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000172698048 659350815 /nfs/dbraw/zinc/35/08/15/659350815.db2.gz VGYXKOZKFWTIIL-GJZGRUSLSA-N 0 0 301.434 3.297 20 10 DGCDRN C[C@@H]1[C@@H](C)CCCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000173290111 659377424 /nfs/dbraw/zinc/37/74/24/659377424.db2.gz FZBAKMPCJMPPML-JKSUJKDBSA-N 0 0 313.445 3.393 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCC3(CCCC3)C2)cc1 ZINC000173295082 659378941 /nfs/dbraw/zinc/37/89/41/659378941.db2.gz CWWFGXZTECZDBU-UHFFFAOYSA-N 0 0 301.434 3.228 20 10 DGCDRN COc1cccc(CNC(=O)NC[C@H]2CCCC[C@H]2C)c1O ZINC000174339578 659427949 /nfs/dbraw/zinc/42/79/49/659427949.db2.gz ZLNOZVLTFNCGSP-CHWSQXEVSA-N 0 0 306.406 3.026 20 10 DGCDRN CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)NC(C)(C)CC ZINC000174372614 659429626 /nfs/dbraw/zinc/42/96/26/659429626.db2.gz HQBQRGSWBZLNQY-AWEZNQCLSA-N 0 0 306.450 3.298 20 10 DGCDRN Nc1ccc(CC(=O)Nc2ccc(OCC(F)(F)F)cc2)cc1 ZINC000238119489 659709046 /nfs/dbraw/zinc/70/90/46/659709046.db2.gz DYIYVWFSENLVCM-UHFFFAOYSA-N 0 0 324.302 3.391 20 10 DGCDRN COc1ccc(N(C)C[C@H](O)c2ccc(F)cc2)cc1OC ZINC000067984641 659933830 /nfs/dbraw/zinc/93/38/30/659933830.db2.gz PGHPKSHXJLLHCX-HNNXBMFYSA-N 0 0 305.349 3.013 20 10 DGCDRN COc1cccc(CNC(=O)c2ccc(-n3cccc3)cc2)c1O ZINC000068488486 659954708 /nfs/dbraw/zinc/95/47/08/659954708.db2.gz YEVSWIXBSTVMLK-UHFFFAOYSA-N 0 0 322.364 3.122 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000068512510 659955669 /nfs/dbraw/zinc/95/56/69/659955669.db2.gz FRMIAFIIVMWMIG-INIZCTEOSA-N 0 0 324.424 3.323 20 10 DGCDRN CSc1ccccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180618375 659966307 /nfs/dbraw/zinc/96/63/07/659966307.db2.gz UUBTVXVPQJOYJH-VQHVLOKHSA-N 0 0 301.367 3.472 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cnc2ccccc2c1 ZINC000180617175 659966324 /nfs/dbraw/zinc/96/63/24/659966324.db2.gz IIYLJHWEURTQDW-SOFGYWHQSA-N 0 0 306.321 3.298 20 10 DGCDRN COc1ccc(N(C)Cc2ccccc2NC(C)=O)cc1F ZINC000180772542 659970058 /nfs/dbraw/zinc/97/00/58/659970058.db2.gz IDQZSARCGMEILS-UHFFFAOYSA-N 0 0 302.349 3.429 20 10 DGCDRN COC[C@@H](C)NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000068968482 659970935 /nfs/dbraw/zinc/97/09/35/659970935.db2.gz CLENURCLNBFHBY-CYBMUJFWSA-N 0 0 300.402 3.167 20 10 DGCDRN Cc1cc(C)cc(CCNC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000181115659 659980871 /nfs/dbraw/zinc/98/08/71/659980871.db2.gz MNPDVINMDYYORO-GQCTYLIASA-N 0 0 311.381 3.087 20 10 DGCDRN C[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)Cc1cccs1 ZINC000181124109 659982635 /nfs/dbraw/zinc/98/26/35/659982635.db2.gz WUFUYOHHJLUMAK-HOSRBBHYSA-N 0 0 317.410 3.168 20 10 DGCDRN CC(C)(C)OCC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000182201274 660037908 /nfs/dbraw/zinc/03/79/08/660037908.db2.gz IDBOVZJKSPCFJN-UHFFFAOYSA-N 0 0 317.385 3.329 20 10 DGCDRN COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(C#N)ccc2OC)c1 ZINC000182357410 660045775 /nfs/dbraw/zinc/04/57/75/660045775.db2.gz NHKDXNFSIQWLGI-LBPRGKRZSA-N 0 0 312.369 3.132 20 10 DGCDRN CC[C@@H]([NH2+]Cc1nccn1C)c1cc(Br)ccc1O ZINC000071273042 660109823 /nfs/dbraw/zinc/10/98/23/660109823.db2.gz VHRLWHRNSFHFQD-GFCCVEGCSA-N 0 0 324.222 3.129 20 10 DGCDRN Cc1cc(F)c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1F ZINC000183432315 660110577 /nfs/dbraw/zinc/11/05/77/660110577.db2.gz IZTYXCWSGUXDJP-JTQLQIEISA-N 0 0 321.323 3.045 20 10 DGCDRN CSc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000183482925 660117245 /nfs/dbraw/zinc/11/72/45/660117245.db2.gz HHZJICLEPKUATJ-LLVKDONJSA-N 0 0 317.410 3.181 20 10 DGCDRN COC(=O)COc1ccc(N(C)Cc2cccc(F)c2F)cc1 ZINC000183789897 660138972 /nfs/dbraw/zinc/13/89/72/660138972.db2.gz JPUXGLSKGPWZCU-UHFFFAOYSA-N 0 0 321.323 3.153 20 10 DGCDRN CCN(Cc1c(F)cncc1F)c1ccc(OC)c(OC)c1 ZINC000929896220 661348648 /nfs/dbraw/zinc/34/86/48/661348648.db2.gz BVRXSLUUMMTZEA-UHFFFAOYSA-N 0 0 308.328 3.404 20 10 DGCDRN CCC1(CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)COC1 ZINC000929933587 661351314 /nfs/dbraw/zinc/35/13/14/661351314.db2.gz KCYUKRHLTICORX-UHFFFAOYSA-N 0 0 316.445 3.060 20 10 DGCDRN COC(=O)/C=C(\C)CN(Cc1ccco1)Cc1ccccc1O ZINC000929969832 661354675 /nfs/dbraw/zinc/35/46/75/661354675.db2.gz PEZBASKBRLBQJA-GXDHUFHOSA-N 0 0 315.369 3.107 20 10 DGCDRN CC[C@H](C)n1ncc(NC(=O)N2Cc3cccc(O)c3C2)c1C ZINC000931069219 661449402 /nfs/dbraw/zinc/44/94/02/661449402.db2.gz CSTQKRHATNRLEA-NSHDSACASA-N 0 0 314.389 3.416 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000931274149 661463665 /nfs/dbraw/zinc/46/36/65/661463665.db2.gz VQEGVYPCDSYQJT-XQRVVYSFSA-N 0 0 304.346 3.017 20 10 DGCDRN CCOc1ccc(N(Cc2nnc(OC)s2)CC2CC2)cc1 ZINC000931380842 661473067 /nfs/dbraw/zinc/47/30/67/661473067.db2.gz RZRGNIPVDJUKJP-UHFFFAOYSA-N 0 0 319.430 3.362 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)N[C@H](C1CC1)C(F)(F)F ZINC000931436655 661476287 /nfs/dbraw/zinc/47/62/87/661476287.db2.gz JWJZKLUIEINKFM-LLVKDONJSA-N 0 0 322.714 3.186 20 10 DGCDRN CCOc1ccc(NC(=O)N2Cc3cccc(O)c3C2)nc1C ZINC000931969461 661526569 /nfs/dbraw/zinc/52/65/69/661526569.db2.gz AISZSMXBEQBFAT-UHFFFAOYSA-N 0 0 313.357 3.042 20 10 DGCDRN CC[C@@](C)(NC(=O)N(C)Cc1ccccc1O)C(F)(F)F ZINC000933536971 661639580 /nfs/dbraw/zinc/63/95/80/661639580.db2.gz HPGIATBEWKIXCL-CYBMUJFWSA-N 0 0 304.312 3.265 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)c1 ZINC000934941025 661750419 /nfs/dbraw/zinc/75/04/19/661750419.db2.gz VHPJLROENQHXMX-SYQHCUMBSA-N 0 0 303.402 3.404 20 10 DGCDRN C[C@H](NC(=O)[C@]12CCO[C@@H]1CCCC2)c1ccc(N(C)C)cc1 ZINC000935462899 661787842 /nfs/dbraw/zinc/78/78/42/661787842.db2.gz IFOQGNNRQFGLRK-POZUXBRTSA-N 0 0 316.445 3.279 20 10 DGCDRN C[C@H](NC(=O)[C@@H](C)c1cccc(O)c1)c1ccc(N(C)C)cc1 ZINC000935465833 661788380 /nfs/dbraw/zinc/78/83/80/661788380.db2.gz UFANMQWCVMZQRC-KBPBESRZSA-N 0 0 312.413 3.439 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c(C)n1-c1cccc(C)c1 ZINC000155324997 661844830 /nfs/dbraw/zinc/84/48/30/661844830.db2.gz PKCGMKJOWLEWFQ-QRQLOZEOSA-N 0 0 324.424 3.452 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H](C)c1ncon1 ZINC000155457533 661847135 /nfs/dbraw/zinc/84/71/35/661847135.db2.gz NYJLJOYKKBGTRR-CQSZACIVSA-N 0 0 324.384 3.277 20 10 DGCDRN CCOCC[N@H+](CC)Cc1cccc(Br)c1[O-] ZINC000156022045 661857082 /nfs/dbraw/zinc/85/70/82/661857082.db2.gz QANCGKMWUQYHHJ-UHFFFAOYSA-N 0 0 302.212 3.013 20 10 DGCDRN COc1cc(F)ccc1NC(=O)N(C)Cc1ccccc1O ZINC000047502221 661877652 /nfs/dbraw/zinc/87/76/52/661877652.db2.gz KNNDZKTYEATGHV-UHFFFAOYSA-N 0 0 304.321 3.204 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000159107048 661882667 /nfs/dbraw/zinc/88/26/67/661882667.db2.gz CRDXUNVPFQECFE-KGLIPLIRSA-N 0 0 317.772 3.171 20 10 DGCDRN C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1ccccn1 ZINC000047890546 661883099 /nfs/dbraw/zinc/88/30/99/661883099.db2.gz WWGZVRBMJWTEPT-OAHLLOKOSA-N 0 0 324.428 3.242 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(F)c(OC)c2)c1 ZINC000159723742 661894207 /nfs/dbraw/zinc/89/42/07/661894207.db2.gz DMPYDPPFCBAEOC-SNVBAGLBSA-N 0 0 319.332 3.040 20 10 DGCDRN CCC1=C(C(=O)NCc2ccc(N3CCCC3)cc2)CCCO1 ZINC000188613291 661936457 /nfs/dbraw/zinc/93/64/57/661936457.db2.gz VFCDCUGYSIDURK-UHFFFAOYSA-N 0 0 314.429 3.378 20 10 DGCDRN CN(Cc1nncn1C)c1ccc(OCc2ccccc2)cc1 ZINC000189645535 661985781 /nfs/dbraw/zinc/98/57/81/661985781.db2.gz FQQQTPIXWUTAEK-UHFFFAOYSA-N 0 0 308.385 3.031 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CC=CCC2)cc1 ZINC000077571757 662032316 /nfs/dbraw/zinc/03/23/16/662032316.db2.gz KQLOCMJAWBYCIO-INIZCTEOSA-N 0 0 301.434 3.441 20 10 DGCDRN O=C(/C=C/c1cccnc1)N1CCCc2cc(F)cc(F)c21 ZINC000077653065 662035276 /nfs/dbraw/zinc/03/52/76/662035276.db2.gz NYCYIBAMVLRBOV-AATRIKPKSA-N 0 0 300.308 3.352 20 10 DGCDRN Cc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(F)c1 ZINC000190919124 662049252 /nfs/dbraw/zinc/04/92/52/662049252.db2.gz QIOVKHWMLIMYTD-NSHDSACASA-N 0 0 318.348 3.298 20 10 DGCDRN CC[C@H](C)CC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000191039308 662052351 /nfs/dbraw/zinc/05/23/51/662052351.db2.gz PMWZJHFUXZZEPC-AWEZNQCLSA-N 0 0 304.434 3.216 20 10 DGCDRN CCN(Cc1cc(F)cc(C(C)=O)c1O)c1cccc(O)c1 ZINC000191570751 662072866 /nfs/dbraw/zinc/07/28/66/662072866.db2.gz YYTDZNDVIQWDOF-UHFFFAOYSA-N 0 0 303.333 3.466 20 10 DGCDRN CC(C)Oc1ccc(N(C)CC(=O)N2CCC[C@@H](C)C2)cc1 ZINC000191582456 662073151 /nfs/dbraw/zinc/07/31/51/662073151.db2.gz CYEQJANEKUXJKY-OAHLLOKOSA-N 0 0 304.434 3.169 20 10 DGCDRN COc1ccc(O)c(CNC(=O)CSc2ccc(C)cc2)c1 ZINC000078726248 662083111 /nfs/dbraw/zinc/08/31/11/662083111.db2.gz GZYNDMPNHYYKIS-UHFFFAOYSA-N 0 0 317.410 3.118 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1F ZINC000078917971 662089711 /nfs/dbraw/zinc/08/97/11/662089711.db2.gz ROCWWJRMRAPTMB-HUUCEWRRSA-N 0 0 319.424 3.223 20 10 DGCDRN CC(C)Oc1ccc(N(C)C(=O)/C=C/c2cncc(O)c2)cc1 ZINC000192263155 662093653 /nfs/dbraw/zinc/09/36/53/662093653.db2.gz CWZHFBHUHCYAEW-RUDMXATFSA-N 0 0 312.369 3.251 20 10 DGCDRN C[C@H](Cc1cccs1)NC(=O)N(C)Cc1ccccc1O ZINC000079414094 662110034 /nfs/dbraw/zinc/11/00/34/662110034.db2.gz DCJOVBRRNXEYDD-GFCCVEGCSA-N 0 0 304.415 3.226 20 10 DGCDRN Cc1cc(N2CCCC2)ccc1NC(=O)c1cccc(O)c1O ZINC000192915623 662116008 /nfs/dbraw/zinc/11/60/08/662116008.db2.gz VKXOGOXQQISYID-UHFFFAOYSA-N 0 0 312.369 3.259 20 10 DGCDRN CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2O)C1(CC)CC ZINC000193129699 662123563 /nfs/dbraw/zinc/12/35/63/662123563.db2.gz IDASIWHHACTCOG-CABCVRRESA-N 0 0 321.417 3.154 20 10 DGCDRN Cc1ccccc1C[C@@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000193393449 662132794 /nfs/dbraw/zinc/13/27/94/662132794.db2.gz KMSVAQWCHBUJHT-OAHLLOKOSA-N 0 0 312.413 3.473 20 10 DGCDRN O=C(Nc1ccncn1)N(Cc1ccco1)Cc1ccccc1O ZINC000194120133 662157946 /nfs/dbraw/zinc/15/79/46/662157946.db2.gz HIPDYJWNFGYQJT-UHFFFAOYSA-N 0 0 324.340 3.010 20 10 DGCDRN CC(=O)c1ccccc1C(=O)NCCCSc1nccs1 ZINC000081044246 662158763 /nfs/dbraw/zinc/15/87/63/662158763.db2.gz HJCJRVYGDMJALQ-UHFFFAOYSA-N 0 0 320.439 3.258 20 10 DGCDRN Cc1nc2cc(F)cc(C(=O)Nc3ccc(N)cc3)c2nc1C ZINC000195309022 662184308 /nfs/dbraw/zinc/18/43/08/662184308.db2.gz UFTXZHNNGLYPTC-UHFFFAOYSA-N 0 0 310.332 3.220 20 10 DGCDRN COC[C@@H](C)CNC(=O)c1sccc1-n1c(C)ccc1C ZINC000195698863 662192807 /nfs/dbraw/zinc/19/28/07/662192807.db2.gz XIBAHLLKUDPYFK-NSHDSACASA-N 0 0 306.431 3.168 20 10 DGCDRN COc1ccc(N2CCN(Cc3nc(C)c(C)s3)CC2)cc1 ZINC000088575087 662232260 /nfs/dbraw/zinc/23/22/60/662232260.db2.gz MSTZPAJGDPUUGS-UHFFFAOYSA-N 0 0 317.458 3.091 20 10 DGCDRN CCc1onc(C)c1NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000089418550 662243437 /nfs/dbraw/zinc/24/34/37/662243437.db2.gz AYIJBFKOGOHRSS-VIFPVBQESA-N 0 0 319.361 3.142 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@H]2C2CC2)cc1 ZINC000089972507 662251275 /nfs/dbraw/zinc/25/12/75/662251275.db2.gz HTMCSQAUKHMIIX-LJQANCHMSA-N 0 0 324.424 3.345 20 10 DGCDRN COc1ccnc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1 ZINC000089987120 662251637 /nfs/dbraw/zinc/25/16/37/662251637.db2.gz VHAMCWWDPKDSHN-UHFFFAOYSA-N 0 0 322.368 3.145 20 10 DGCDRN COc1ccc(F)cc1NC(=O)N(C)Cc1ccccc1O ZINC000092107971 662327479 /nfs/dbraw/zinc/32/74/79/662327479.db2.gz JTOPLGPUKFGGKG-UHFFFAOYSA-N 0 0 304.321 3.204 20 10 DGCDRN CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000092706220 662334309 /nfs/dbraw/zinc/33/43/09/662334309.db2.gz UPOAUSUDXVISAG-CYBMUJFWSA-N 0 0 324.852 3.030 20 10 DGCDRN CN(C)c1ccc(CN2CCC[C@H]2C(=O)OC(C)(C)C)cc1 ZINC000093102474 662344063 /nfs/dbraw/zinc/34/40/63/662344063.db2.gz XNEMTEWYTHSQPI-INIZCTEOSA-N 0 0 304.434 3.059 20 10 DGCDRN CC1(C)CC[C@H](C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)O1 ZINC000248567618 662353551 /nfs/dbraw/zinc/35/35/51/662353551.db2.gz JSVVYAQRKGQHRZ-IAGOWNOFSA-N 0 0 319.445 3.331 20 10 DGCDRN COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000093813769 662359528 /nfs/dbraw/zinc/35/95/28/662359528.db2.gz SGZBUUOLIWXKHV-AWEZNQCLSA-N 0 0 318.200 3.084 20 10 DGCDRN CCC[C@H](C)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000140937727 685078696 /nfs/dbraw/zinc/07/86/96/685078696.db2.gz OVCSTCYMUPMGNK-LSDHHAIUSA-N 0 0 319.449 3.072 20 10 DGCDRN Oc1cccc(Cl)c1CNc1cccc(Cn2cncn2)c1 ZINC000378890606 685146060 /nfs/dbraw/zinc/14/60/60/685146060.db2.gz QAKNVCVCKCJXOB-UHFFFAOYSA-N 0 0 314.776 3.298 20 10 DGCDRN CC[C@H](NCc1cocn1)c1cc(Br)ccc1O ZINC000397997559 685234083 /nfs/dbraw/zinc/23/40/83/685234083.db2.gz QZEUOUOTHJDEIH-LBPRGKRZSA-N 0 0 311.179 3.384 20 10 DGCDRN CN(C)c1ccc(/C=C/CNc2cccc(-c3nn[nH]n3)c2)cc1 ZINC001578998468 1191964129 /nfs/dbraw/zinc/96/41/29/1191964129.db2.gz LPRYEIVYKNOEMZ-SNAWJCMRSA-N 0 0 320.400 3.058 20 10 DGCDRN COc1ccc(F)c2[nH]c(C(=O)Oc3ccc(N)cc3)cc21 ZINC001579222985 1191969148 /nfs/dbraw/zinc/96/91/48/1191969148.db2.gz RBWOUUBIKPJNAS-UHFFFAOYSA-N 0 0 300.289 3.117 20 10 DGCDRN C[C@@H](OC(=O)Cc1ccc(N)cc1)c1ccccc1[N+](=O)[O-] ZINC001579420379 1191976242 /nfs/dbraw/zinc/97/62/42/1191976242.db2.gz CUMNMIQJFNPGFC-LLVKDONJSA-N 0 0 300.314 3.024 20 10 DGCDRN Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1ccc(N)cc1 ZINC001579886101 1191997712 /nfs/dbraw/zinc/99/77/12/1191997712.db2.gz DMZJKOWKUDAFHQ-UHFFFAOYSA-N 0 0 320.396 3.001 20 10 DGCDRN Cc1oc2ccccc2c1CC(=O)NCCc1ccc(N)cc1 ZINC001579928489 1191999611 /nfs/dbraw/zinc/99/96/11/1191999611.db2.gz OQLBGMGKGQZOFG-UHFFFAOYSA-N 0 0 308.381 3.225 20 10 DGCDRN Nc1ccc(NC(=O)N[C@@H](Cn2ccnc2)c2ccccc2)cc1 ZINC001580449679 1192027874 /nfs/dbraw/zinc/02/78/74/1192027874.db2.gz RLUGLVGYHADNMB-KRWDZBQOSA-N 0 0 321.384 3.028 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)Nc1cccc2c1CCN2 ZINC001580718790 1192038304 /nfs/dbraw/zinc/03/83/04/1192038304.db2.gz QEQQCMIRNQBZGK-UHFFFAOYSA-N 0 0 317.776 3.335 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)c2nccnc2C)cc1 ZINC001583711042 1192157164 /nfs/dbraw/zinc/15/71/64/1192157164.db2.gz OCWMVTTXCPHEKB-UHFFFAOYSA-N 0 0 320.396 3.469 20 10 DGCDRN COc1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1F ZINC001583816697 1192161510 /nfs/dbraw/zinc/16/15/10/1192161510.db2.gz LJXJESSTGFLFDI-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN O=C(/C=C\c1ccc(Cl)nc1)NCc1cc(Cl)ccc1O ZINC001583820770 1192161942 /nfs/dbraw/zinc/16/19/42/1192161942.db2.gz LHPGMFNAGPTGNN-KXFIGUGUSA-N 0 0 323.179 3.424 20 10 DGCDRN COc1cccc(C(F)(F)C(=O)NCc2cc(C)ccc2O)c1 ZINC001584983659 1192234781 /nfs/dbraw/zinc/23/47/81/1192234781.db2.gz OXWKZFKQKYTKFY-UHFFFAOYSA-N 0 0 321.323 3.117 20 10 DGCDRN Cc1ccncc1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001585346319 1192256877 /nfs/dbraw/zinc/25/68/77/1192256877.db2.gz BISIJLKFUFFHTG-UHFFFAOYSA-N 0 0 300.339 3.268 20 10 DGCDRN Cc1nc2ccc(C(=O)N[C@@H](C)c3ccccc3O)cc2nc1C ZINC001587446936 1192400401 /nfs/dbraw/zinc/40/04/01/1192400401.db2.gz CUPUPJLKPBGDTH-ZDUSSCGKSA-N 0 0 321.380 3.443 20 10 DGCDRN C[C@@H](NC(=O)c1cn(-c2ccccc2)cn1)c1ccccc1O ZINC001587447681 1192400779 /nfs/dbraw/zinc/40/07/79/1192400779.db2.gz XSJXEQZIMNEEEO-CYBMUJFWSA-N 0 0 307.353 3.069 20 10 DGCDRN Cc1ccc(F)c(OCC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001587451500 1192400957 /nfs/dbraw/zinc/40/09/57/1192400957.db2.gz XLBCHMUDGQSEGD-LBPRGKRZSA-N 0 0 303.333 3.096 20 10 DGCDRN CCO[C@H]1[C@H](C(=O)N(C)Cc2ccc(N(CC)CC)cc2)[C@@H]1C ZINC001587460243 1192401445 /nfs/dbraw/zinc/40/14/45/1192401445.db2.gz RNKISBNMJPIIKM-BMGDILEWSA-N 0 0 318.461 3.162 20 10 DGCDRN CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC001587460245 1192401708 /nfs/dbraw/zinc/40/17/08/1192401708.db2.gz RNKISBNMJPIIKM-JCGIZDLHSA-N 0 0 318.461 3.162 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccns1 ZINC001587551936 1192406071 /nfs/dbraw/zinc/40/60/71/1192406071.db2.gz IOHMYIBSVIMHEN-UHFFFAOYSA-N 0 0 301.415 3.016 20 10 DGCDRN CCOc1cccc(/C=C/C(=O)N(C)Cc2ccccc2O)c1 ZINC001588155770 1192435979 /nfs/dbraw/zinc/43/59/79/1192435979.db2.gz FSUKFNLUYPBDID-VAWYXSNFSA-N 0 0 311.381 3.463 20 10 DGCDRN C(=Cc1ccc(N2CCCC2)cc1)c1nc(-c2nn[nH]n2)cs1 ZINC001588381642 1192446019 /nfs/dbraw/zinc/44/60/19/1192446019.db2.gz MUWNMUFHDCDYSN-YVMONPNESA-N 0 0 324.413 3.094 20 10 DGCDRN CC[C@@H]([NH2+]Cc1ccc(C)cc1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001590465135 1192510916 /nfs/dbraw/zinc/51/09/16/1192510916.db2.gz GFARKBKYMJNYQD-MRXNPFEDSA-N 0 0 323.400 3.122 20 10 DGCDRN CO[C@@](C)(C[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC001620943193 1192638906 /nfs/dbraw/zinc/63/89/06/1192638906.db2.gz MPEUZXLMTQJPRJ-KRWDZBQOSA-N 0 0 307.340 3.322 20 10 DGCDRN C[C@@H]1CCc2c(C(=O)NCc3cc(O)ccc3O)csc2C1 ZINC001593873501 1192640811 /nfs/dbraw/zinc/64/08/11/1192640811.db2.gz QWFVQVQIRLSZSD-SNVBAGLBSA-N 0 0 317.410 3.214 20 10 DGCDRN C[C@H]1CCc2c(C(=O)NCc3cc(O)ccc3O)csc2C1 ZINC001593873500 1192641134 /nfs/dbraw/zinc/64/11/34/1192641134.db2.gz QWFVQVQIRLSZSD-JTQLQIEISA-N 0 0 317.410 3.214 20 10 DGCDRN Cn1ccc(C(=O)NCc2ccc(O)c(O)c2)c1-c1ccccc1 ZINC001595595341 1192663774 /nfs/dbraw/zinc/66/37/74/1192663774.db2.gz BUGIXCLIXWWGBR-UHFFFAOYSA-N 0 0 322.364 3.033 20 10 DGCDRN COc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1F ZINC001596301340 1192688671 /nfs/dbraw/zinc/68/86/71/1192688671.db2.gz MPBJDRZICFEGNY-UHFFFAOYSA-N 0 0 316.292 3.249 20 10 DGCDRN C[C@H](Sc1ccc(F)cc1)C(=O)NCc1c(O)cccc1F ZINC001596916404 1192710858 /nfs/dbraw/zinc/71/08/58/1192710858.db2.gz GDHAOPLTHPKDRA-JTQLQIEISA-N 0 0 323.364 3.467 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC001596911004 1192709994 /nfs/dbraw/zinc/70/99/94/1192709994.db2.gz CIFWHPLMMGRSAC-GHMZBOCLSA-N 0 0 321.298 3.229 20 10 DGCDRN CC[C@@H](C)Oc1cc(C(=O)NCc2c(O)cccc2F)ccn1 ZINC001596912611 1192710148 /nfs/dbraw/zinc/71/01/48/1192710148.db2.gz PTUHPPWFSWTPNK-LLVKDONJSA-N 0 0 318.348 3.034 20 10 DGCDRN C/C(=C\c1ccc(Cl)cc1)C(=O)NCc1c(O)cccc1O ZINC001597574911 1192739013 /nfs/dbraw/zinc/73/90/13/1192739013.db2.gz VIEBLKNZCKPHLE-PKNBQFBNSA-N 0 0 317.772 3.471 20 10 DGCDRN C[C@H](Oc1ccccn1)C(=O)NCc1c(O)ccc2ccccc21 ZINC001597742497 1192745220 /nfs/dbraw/zinc/74/52/20/1192745220.db2.gz MBUZQKVAGXRUHV-ZDUSSCGKSA-N 0 0 322.364 3.024 20 10 DGCDRN Cc1ccn([C@@H](C)CC(=O)NCc2c(O)ccc3ccccc32)n1 ZINC001597742540 1192745500 /nfs/dbraw/zinc/74/55/00/1192745500.db2.gz NFIUXBLTBPIVFW-AWEZNQCLSA-N 0 0 323.396 3.318 20 10 DGCDRN Cc1cc(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)ccc1F ZINC001600202893 1192805429 /nfs/dbraw/zinc/80/54/29/1192805429.db2.gz BEFPJISQFBHVSC-NSHDSACASA-N 0 0 303.333 3.389 20 10 DGCDRN Cc1cc(C[NH2+]CCCSc2nccs2)ccc1C(=O)[O-] ZINC001600206707 1192809282 /nfs/dbraw/zinc/80/92/82/1192809282.db2.gz UVKYIRAGJAGIIO-UHFFFAOYSA-N 0 0 322.455 3.422 20 10 DGCDRN C[C@@H]1C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CC(C)(C)C1 ZINC001179689586 1177804201 /nfs/dbraw/zinc/80/42/01/1177804201.db2.gz SYHHRFVQDFCOJU-FROLJDDGSA-N 0 0 303.402 3.442 20 10 DGCDRN CC(=O)c1c(F)cccc1NC(=O)C=Cc1ccc(O)c(O)c1 ZINC001179687578 1177805179 /nfs/dbraw/zinc/80/51/79/1177805179.db2.gz OFTXKQYGOPLOCW-SOFGYWHQSA-N 0 0 315.300 3.091 20 10 DGCDRN Cc1ccc(O)c(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1 ZINC001600464512 1192858058 /nfs/dbraw/zinc/85/80/58/1192858058.db2.gz DYPFNPNODGNXET-DLBZAZTESA-N 0 0 311.381 3.001 20 10 DGCDRN CC1(C)CO[C@@H](CCC(=O)Nc2c3nonc3ccc2Cl)C1 ZINC001331297281 1178177943 /nfs/dbraw/zinc/17/79/43/1178177943.db2.gz XEDDZCHRFNYMOZ-VIFPVBQESA-N 0 0 323.780 3.410 20 10 DGCDRN [O-]c1c(F)cc(F)cc1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001331527735 1178234701 /nfs/dbraw/zinc/23/47/01/1178234701.db2.gz CXNUFZJTDQIZAU-HNNXBMFYSA-N 0 0 310.388 3.121 20 10 DGCDRN Cc1cccc(CCC[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)n1 ZINC001600529430 1192868000 /nfs/dbraw/zinc/86/80/00/1192868000.db2.gz ILVMGVDTLIBLAV-CYBMUJFWSA-N 0 0 314.385 3.077 20 10 DGCDRN Cc1cccc(C[N@H+](CC(=O)[O-])Cc2ccc(F)c(F)c2)c1O ZINC001600531252 1192868938 /nfs/dbraw/zinc/86/89/38/1192868938.db2.gz IXTBOOZKPFQVCM-UHFFFAOYSA-N 0 0 321.323 3.066 20 10 DGCDRN Cc1cccc(C[NH2+][C@@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])c1O ZINC001600532644 1192868943 /nfs/dbraw/zinc/86/89/43/1192868943.db2.gz XNASOUTWKKAUJR-WMLDXEAASA-N 0 0 313.397 3.122 20 10 DGCDRN Cc1cccc(C[N@@H+](Cc2ccccc2)C[C@H](C)C(=O)[O-])c1O ZINC001600532565 1192869229 /nfs/dbraw/zinc/86/92/29/1192869229.db2.gz MLXNSRIHAXNZJO-HNNXBMFYSA-N 0 0 313.397 3.424 20 10 DGCDRN O=C1Cc2ccc(NCc3ccc(N4CCCC4)cc3)cc2N1 ZINC001331958267 1178320164 /nfs/dbraw/zinc/32/01/64/1178320164.db2.gz AGKSJOLYAAWJSY-UHFFFAOYSA-N 0 0 307.397 3.394 20 10 DGCDRN CCc1nccc(NC2CCN(c3ccc(OC)cc3)CC2)n1 ZINC001332206064 1178392767 /nfs/dbraw/zinc/39/27/67/1178392767.db2.gz GXQSEPXUQNMQLU-UHFFFAOYSA-N 0 0 312.417 3.129 20 10 DGCDRN CC1(C)CO[C@H](CC(=O)Nc2c3nonc3ccc2Cl)C1 ZINC001332439589 1178447863 /nfs/dbraw/zinc/44/78/63/1178447863.db2.gz XFGAQHOTLXUYMJ-MRVPVSSYSA-N 0 0 309.753 3.020 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3)c1 ZINC001335269184 1178881823 /nfs/dbraw/zinc/88/18/23/1178881823.db2.gz CQYPQDIVTIIMQY-HLVVYCRESA-N 0 0 321.442 3.256 20 10 DGCDRN CC1(c2ccccc2)CC(NC(=O)NCc2ccc(N)cc2)C1 ZINC001335665262 1178941733 /nfs/dbraw/zinc/94/17/33/1178941733.db2.gz HRMDGBQUZBDMTB-UHFFFAOYSA-N 0 0 309.413 3.188 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCOC(C)(C)C2)cc1 ZINC001335724050 1178945901 /nfs/dbraw/zinc/94/59/01/1178945901.db2.gz DZUUMGFRZUEHDL-MRXNPFEDSA-N 0 0 318.461 3.354 20 10 DGCDRN CC[C@H](NC(=O)NCc1ccc(N)cc1)c1ccc(OC)cc1 ZINC001335910948 1178970269 /nfs/dbraw/zinc/97/02/69/1178970269.db2.gz LXNWYPBMDQZWIL-KRWDZBQOSA-N 0 0 313.401 3.228 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@H]2CC(C)(C)OC2(C)C)cc1F ZINC001336179069 1179000685 /nfs/dbraw/zinc/00/06/85/1179000685.db2.gz DQDXUUQCBOKBRS-CYBMUJFWSA-N 0 0 322.424 3.102 20 10 DGCDRN C[C@@H](NC(=O)NC[C@H]1OCc2ccccc21)c1ccccc1O ZINC001343373926 1179262771 /nfs/dbraw/zinc/26/27/71/1179262771.db2.gz OBJODBFWIXSVES-SJKOYZFVSA-N 0 0 312.369 3.024 20 10 DGCDRN O=C([O-])[C@H]1CCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC001601808771 1192946256 /nfs/dbraw/zinc/94/62/56/1192946256.db2.gz OFKFFPMTVMDASK-IRXDYDNUSA-N 0 0 311.381 3.402 20 10 DGCDRN O=C([O-])CC[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001601976816 1192954286 /nfs/dbraw/zinc/95/42/86/1192954286.db2.gz YFWVQUWBHUFLDR-MRXNPFEDSA-N 0 0 316.445 3.364 20 10 DGCDRN COc1cccc(CNC(=O)Nc2ccc(C)nc2Cl)c1O ZINC001345886129 1179618967 /nfs/dbraw/zinc/61/89/67/1179618967.db2.gz YKNBAEDADPCGRJ-UHFFFAOYSA-N 0 0 321.764 3.079 20 10 DGCDRN O=C([O-])c1ccc(N2CC=C(c3ccc(Cl)nc3)CC2)nc1 ZINC001602369615 1192975089 /nfs/dbraw/zinc/97/50/89/1192975089.db2.gz FRKCEZHFYIXVPD-UHFFFAOYSA-N 0 0 315.760 3.122 20 10 DGCDRN CC[C@@H]1c2ccccc2CCN1C(=O)NCc1ccc(N)cc1 ZINC001346738955 1179740932 /nfs/dbraw/zinc/74/09/32/1179740932.db2.gz LHECNJPXFKYLIA-GOSISDBHSA-N 0 0 309.413 3.488 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)C1=NC(=O)C(C)S1 ZINC001346962650 1179764974 /nfs/dbraw/zinc/76/49/74/1179764974.db2.gz UNYBMZAJDATBTM-UHFFFAOYSA-N 0 0 320.414 3.305 20 10 DGCDRN C[C@H]1CCCN1c1nnc(C2SC=CC2=O)n1CC1CC1 ZINC001346978077 1179766147 /nfs/dbraw/zinc/76/61/47/1179766147.db2.gz YYILFZWGNBFMNP-JTQLQIEISA-N 0 0 304.419 3.111 20 10 DGCDRN O=C(NCc1cccc(O)c1O)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001347234919 1179785718 /nfs/dbraw/zinc/78/57/18/1179785718.db2.gz RXEOMUFWMXYMRX-JKSUJKDBSA-N 0 0 311.381 3.298 20 10 DGCDRN O=C(NCc1cccc(O)c1O)[C@H]1CCC[C@H]1c1ccccc1 ZINC001347234916 1179786285 /nfs/dbraw/zinc/78/62/85/1179786285.db2.gz RXEOMUFWMXYMRX-HOTGVXAUSA-N 0 0 311.381 3.298 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCC[C@H](F)C1 ZINC001348957286 1179856442 /nfs/dbraw/zinc/85/64/42/1179856442.db2.gz FOSMVSZZTACFLD-HOTGVXAUSA-N 0 0 304.409 3.431 20 10 DGCDRN CC1(C)CCC[C@H](COC(=O)/C=C\c2ccc(O)c(O)c2)O1 ZINC001349982645 1179991398 /nfs/dbraw/zinc/99/13/98/1179991398.db2.gz NHAOUERIYBCEBF-FWPCIQOSSA-N 0 0 306.358 3.002 20 10 DGCDRN C/C(=C\C(=O)N1CCCc2c(F)cc(F)cc21)c1cnccn1 ZINC001350185499 1180031353 /nfs/dbraw/zinc/03/13/53/1180031353.db2.gz NCLMLIOOEPBJMR-YRNVUSSQSA-N 0 0 315.323 3.138 20 10 DGCDRN O=C(Cc1ccc(C2CCC2)cc1)NCc1cccc(O)c1O ZINC001350314709 1180050841 /nfs/dbraw/zinc/05/08/41/1180050841.db2.gz GTPGRUMEJGJFGG-UHFFFAOYSA-N 0 0 311.381 3.224 20 10 DGCDRN CC[C@H](C)OCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001351162707 1180181465 /nfs/dbraw/zinc/18/14/65/1180181465.db2.gz JGDSBDCYYIASNT-HNNXBMFYSA-N 0 0 304.434 3.060 20 10 DGCDRN COc1cc(N(C)Cc2ncccc2Cl)cc(OC)c1OC ZINC001351373861 1180206772 /nfs/dbraw/zinc/20/67/72/1180206772.db2.gz KPVHUDUWNDDLFJ-UHFFFAOYSA-N 0 0 322.792 3.397 20 10 DGCDRN CCCCCCO[C@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001351738589 1180243146 /nfs/dbraw/zinc/24/31/46/1180243146.db2.gz PEWCNQOEMVJMKA-CQSZACIVSA-N 0 0 324.440 3.493 20 10 DGCDRN CCCN(CCC)c1ccc(CN[C@@H](C)c2nncn2C)cc1 ZINC001200204424 1180449524 /nfs/dbraw/zinc/44/95/24/1180449524.db2.gz RLGVEKDUSWHTSP-HNNXBMFYSA-N 0 0 315.465 3.292 20 10 DGCDRN CO[C@@H](C(=O)NCc1cc(Cl)ccc1O)c1ccc(F)cc1 ZINC001300396611 1180639310 /nfs/dbraw/zinc/63/93/10/1180639310.db2.gz ZXNXIBXXKRGOPY-OAHLLOKOSA-N 0 0 323.751 3.189 20 10 DGCDRN CC(=O)c1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1C ZINC001300396595 1180639422 /nfs/dbraw/zinc/63/94/22/1180639422.db2.gz ZKBWCRJYDMBSOC-UHFFFAOYSA-N 0 0 317.772 3.487 20 10 DGCDRN CC(C)c1ccc(O)c(C[NH+]2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC001604002772 1193042706 /nfs/dbraw/zinc/04/27/06/1193042706.db2.gz MSZIFJZBVWEUPR-OAHLLOKOSA-N 0 0 303.402 3.202 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cccnc1F ZINC001353911581 1180680827 /nfs/dbraw/zinc/68/08/27/1180680827.db2.gz SKIPCUHYKPSVJL-UHFFFAOYSA-N 0 0 313.376 3.093 20 10 DGCDRN S=C(NCc1ccco1)N1CCc2c(Cl)cccc2C1 ZINC001200559397 1180719299 /nfs/dbraw/zinc/71/92/99/1180719299.db2.gz NMRUYMASOSBHPX-UHFFFAOYSA-N 0 0 306.818 3.366 20 10 DGCDRN CCN(Cc1cccc(F)c1F)C(=S)NCc1ccco1 ZINC001200564122 1180720937 /nfs/dbraw/zinc/72/09/37/1180720937.db2.gz HNGUQRRSWDSNBP-UHFFFAOYSA-N 0 0 310.369 3.454 20 10 DGCDRN C[C@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)c1nccs1 ZINC001604186073 1193059295 /nfs/dbraw/zinc/05/92/95/1193059295.db2.gz VVUCWVQTGNUWKT-ZJUUUORDSA-N 0 0 306.387 3.001 20 10 DGCDRN CC(C)[C@H]1OCCC[C@@H]1C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001604336874 1193066074 /nfs/dbraw/zinc/06/60/74/1193066074.db2.gz BZVALEPQRXNSKY-DXCKQFNASA-N 0 0 321.417 3.192 20 10 DGCDRN S=C(NCc1ccc(Br)cn1)Nc1ccccc1 ZINC001200840258 1180959055 /nfs/dbraw/zinc/95/90/55/1180959055.db2.gz PVUYGPMUQAGIIQ-UHFFFAOYSA-N 0 0 322.231 3.331 20 10 DGCDRN C[C@H]([NH2+]CC[C@@]1(C)C[C@]1(F)Cl)c1cc(C(=O)[O-])ccc1O ZINC001604338636 1193066543 /nfs/dbraw/zinc/06/65/43/1193066543.db2.gz PRIXQXGXSVQMKK-ULKVUYOBSA-N 0 0 315.772 3.446 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(C(=O)[O-])cs1)c1ccc(N(C)C)cc1 ZINC001604343120 1193067385 /nfs/dbraw/zinc/06/73/85/1193067385.db2.gz XNFBUMZGHSDHMY-NSHDSACASA-N 0 0 304.415 3.363 20 10 DGCDRN Nc1ccc(CC(=O)NCC[C@@H]2C[C@H]2Cc2ccccc2)cc1 ZINC001355741088 1181091268 /nfs/dbraw/zinc/09/12/68/1181091268.db2.gz PRNAIEYXGMBGDK-QZTJIDSGSA-N 0 0 308.425 3.196 20 10 DGCDRN COC(=O)c1cnc(SCc2nc3ccccc3n2C)s1 ZINC001473034914 1181200786 /nfs/dbraw/zinc/20/07/86/1181200786.db2.gz APXOSAAEFOHHCM-UHFFFAOYSA-N 0 0 319.411 3.109 20 10 DGCDRN Cc1ccc(C[C@H]2CCCN2C(=O)NCc2ccc(N)cc2)cc1 ZINC001357791080 1181427889 /nfs/dbraw/zinc/42/78/89/1181427889.db2.gz IVZJRMBDCVFEAX-LJQANCHMSA-N 0 0 323.440 3.494 20 10 DGCDRN COC(=O)[C@@H](CC(C)(C)C)NC/C=C/c1ccc(N(C)C)cc1 ZINC001474596530 1181593718 /nfs/dbraw/zinc/59/37/18/1181593718.db2.gz JAFVISYSIFDWGE-IWAYRVGRSA-N 0 0 318.461 3.333 20 10 DGCDRN CCO[C@H](C(=O)NCc1ccc(N(C)C)cc1C)C1CCCC1 ZINC001435117697 1181791317 /nfs/dbraw/zinc/79/13/17/1181791317.db2.gz GSFGDKYJPUJBAD-SFHVURJKSA-N 0 0 318.461 3.273 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H]1c1cccs1 ZINC001440365623 1182037838 /nfs/dbraw/zinc/03/78/38/1182037838.db2.gz ASHGIUUGJPEDDQ-GFCCVEGCSA-N 0 0 303.383 3.066 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C2(CC(C)=O)CCC2)cc1 ZINC001441718407 1182068537 /nfs/dbraw/zinc/06/85/37/1182068537.db2.gz XNBPWAHHFLACQX-UHFFFAOYSA-N 0 0 316.445 3.298 20 10 DGCDRN Cc1ccc2c(c1)N(C(=O)c1ccc(N=NC(N)=O)cc1)CC2 ZINC001442401716 1182081684 /nfs/dbraw/zinc/08/16/84/1182081684.db2.gz NJDCQNKYAWPREZ-UHFFFAOYSA-N 0 0 308.341 3.360 20 10 DGCDRN C[C@@H](c1ccncc1)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001442610412 1182085558 /nfs/dbraw/zinc/08/55/58/1182085558.db2.gz LPFHNRWWBCLWOH-NSHDSACASA-N 0 0 311.345 3.077 20 10 DGCDRN Cc1ccc(C(C)(C)CNC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001443406175 1182100412 /nfs/dbraw/zinc/10/04/12/1182100412.db2.gz NFHXOHBOTOJELP-UHFFFAOYSA-N 0 0 313.397 3.043 20 10 DGCDRN CCCC[N@H+](Cc1ccccc1O)[C@@H](C(=O)[O-])c1cccnc1 ZINC001605278291 1193140548 /nfs/dbraw/zinc/14/05/48/1193140548.db2.gz XUARASYENLSNAL-QGZVFWFLSA-N 0 0 314.385 3.215 20 10 DGCDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)Cc1ccccc1O ZINC001445647284 1182152157 /nfs/dbraw/zinc/15/21/57/1182152157.db2.gz QOJQFBYOTPXTIJ-UHFFFAOYSA-N 0 0 314.341 3.189 20 10 DGCDRN CCN(C)c1ccc(C[N@H+](C)[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC001605410772 1193148821 /nfs/dbraw/zinc/14/88/21/1193148821.db2.gz KKGJXAARXSJEJE-GOSISDBHSA-N 0 0 312.413 3.400 20 10 DGCDRN Cc1cc(C(=O)Nc2nccn2C)c(C)n1-c1cccc(C)c1 ZINC001451518975 1182271567 /nfs/dbraw/zinc/27/15/67/1182271567.db2.gz IGRRFQVDQDVFMW-UHFFFAOYSA-N 0 0 308.385 3.388 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)C1(c2ccccc2)CC1 ZINC001451957942 1182278060 /nfs/dbraw/zinc/27/80/60/1182278060.db2.gz QAXKAOQLBWHAJU-UHFFFAOYSA-N 0 0 318.376 3.288 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC001453646946 1182321561 /nfs/dbraw/zinc/32/15/61/1182321561.db2.gz DPLNCWCWBWNDHK-UHFFFAOYSA-N 0 0 320.732 3.192 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)COc2ccc(Cl)c(F)c2)c1 ZINC001453646941 1182321615 /nfs/dbraw/zinc/32/16/15/1182321615.db2.gz DKNOYQWZBABRBQ-UHFFFAOYSA-N 0 0 323.751 3.188 20 10 DGCDRN CSCc1ccc(C(=O)NCc2cc(C)ccc2O)cc1 ZINC001453648530 1182321967 /nfs/dbraw/zinc/32/19/67/1182321967.db2.gz JRCNDAYYHQJPHH-UHFFFAOYSA-N 0 0 301.411 3.494 20 10 DGCDRN O=C(Nc1ccc(O[C@H]2CC2(F)F)cc1)C1=CC(=O)CS1 ZINC001453772353 1182324826 /nfs/dbraw/zinc/32/48/26/1182324826.db2.gz ORJZBLZYHWLGCJ-LBPRGKRZSA-N 0 0 311.309 3.492 20 10 DGCDRN C[C@@H](NC(=O)Cc1coc(-c2ccccc2)n1)c1ccccc1O ZINC001454793894 1182353657 /nfs/dbraw/zinc/35/36/57/1182353657.db2.gz HYCPJIWYANEATE-CYBMUJFWSA-N 0 0 322.364 3.467 20 10 DGCDRN O=C(Cc1cccc2cnccc21)N1Cc2cccc(O)c2C1 ZINC001455035632 1182359064 /nfs/dbraw/zinc/35/90/64/1182359064.db2.gz AOGXKOMMBSCXBB-UHFFFAOYSA-N 0 0 304.349 3.025 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1cc2c(cccc2C2CC2)[nH]1 ZINC001455351249 1182366895 /nfs/dbraw/zinc/36/68/95/1182366895.db2.gz DZEVWMYCZMQMNY-UHFFFAOYSA-N 0 0 322.364 3.387 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1csc(C(F)(F)F)c1 ZINC001456315766 1182409815 /nfs/dbraw/zinc/40/98/15/1182409815.db2.gz KUNNYYKRFKUDLR-UHFFFAOYSA-N 0 0 317.288 3.108 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001456310737 1182409999 /nfs/dbraw/zinc/40/99/99/1182409999.db2.gz MGHXWFZPYFTQJJ-UHFFFAOYSA-N 0 0 322.320 3.384 20 10 DGCDRN C/C(=C/C(=O)N(C)c1ccc(F)c(Cl)c1)c1cnccn1 ZINC001458394228 1182521003 /nfs/dbraw/zinc/52/10/03/1182521003.db2.gz FMFZHLCBTYPLRI-YFHOEESVSA-N 0 0 305.740 3.335 20 10 DGCDRN O=[N+]([O-])c1cc(CO)c(Sc2ncc(Cl)s2)cc1F ZINC001458508679 1182528128 /nfs/dbraw/zinc/52/81/28/1182528128.db2.gz ICXRZMFPFDHNDO-UHFFFAOYSA-N 0 0 320.754 3.487 20 10 DGCDRN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1Nc1cn[nH]c1 ZINC001458545485 1182537714 /nfs/dbraw/zinc/53/77/14/1182537714.db2.gz WOJMMRGJDHYKKW-UHFFFAOYSA-N 0 0 308.297 3.293 20 10 DGCDRN COC(=O)c1cnc(SCc2cccc(C(=O)OC)c2)s1 ZINC001459108975 1182568040 /nfs/dbraw/zinc/56/80/40/1182568040.db2.gz YTBKZYCTLIAACF-UHFFFAOYSA-N 0 0 323.395 3.009 20 10 DGCDRN Cc1ncccc1/C=C\C(=O)N(C)c1cnc2ccccc2n1 ZINC001460583324 1182698205 /nfs/dbraw/zinc/69/82/05/1182698205.db2.gz VKUOHCUQZGOOTN-KTKRTIGZSA-N 0 0 304.353 3.009 20 10 DGCDRN CCc1cccc(C[NH2+][C@H](C(=O)[O-])c2cc(C)cc(C)c2)c1O ZINC001605828823 1193177228 /nfs/dbraw/zinc/17/72/28/1193177228.db2.gz OEWWPPVSMMRSBR-KRWDZBQOSA-N 0 0 313.397 3.487 20 10 DGCDRN CN(C)c1ccc(/C=C\CNc2ccc3c(c2)NC(=O)CO3)cc1 ZINC001461073139 1182764377 /nfs/dbraw/zinc/76/43/77/1182764377.db2.gz FCJPKBGRPCNXLG-ARJAWSKDSA-N 0 0 323.396 3.209 20 10 DGCDRN Cc1cc(C)c2c(c1)N(C(=O)/C=C/c1cccnc1C)CCO2 ZINC001461333068 1182795522 /nfs/dbraw/zinc/79/55/22/1182795522.db2.gz YIUSAGIGPQDQPM-VOTSOKGWSA-N 0 0 308.381 3.446 20 10 DGCDRN CC[C@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C ZINC001461591529 1182833279 /nfs/dbraw/zinc/83/32/79/1182833279.db2.gz BFRCOEWNXXTJFK-JJEJIETFSA-N 0 0 318.461 3.476 20 10 DGCDRN Cc1cc(NCc2cc(F)ccc2O)ccc1N1CCOCC1 ZINC001461987117 1182890150 /nfs/dbraw/zinc/89/01/50/1182890150.db2.gz DRKPLDWRSMVPFE-UHFFFAOYSA-N 0 0 316.376 3.288 20 10 DGCDRN Oc1ccccc1CN(Cc1ncccc1F)C[C@H]1CCCO1 ZINC001462021964 1182897072 /nfs/dbraw/zinc/89/70/72/1182897072.db2.gz JGNWZFKSZUGPII-OAHLLOKOSA-N 0 0 316.376 3.108 20 10 DGCDRN CCCOc1ccc(CN[C@H](C(=O)OCC)C2CC2)cc1C ZINC001462125614 1182911227 /nfs/dbraw/zinc/91/12/27/1182911227.db2.gz NUEWUZNCUGGBLY-KRWDZBQOSA-N 0 0 305.418 3.215 20 10 DGCDRN Cc1cccc2oc(CC[NH2+]Cc3ccc(F)c(F)c3[O-])nc21 ZINC001462150616 1182915075 /nfs/dbraw/zinc/91/50/75/1182915075.db2.gz XFMOWUGCJMYAGU-UHFFFAOYSA-N 0 0 318.323 3.452 20 10 DGCDRN CC(C)(C)OC(=O)[C@@]1(C)CCCN1Cc1cc(F)ccc1O ZINC001462479958 1182960246 /nfs/dbraw/zinc/96/02/46/1182960246.db2.gz LTAGNKSMGHIQRD-QGZVFWFLSA-N 0 0 309.381 3.228 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2nccc3occc32)cc1 ZINC001463750992 1183045179 /nfs/dbraw/zinc/04/51/79/1183045179.db2.gz ICCGLAJMACGAKX-UHFFFAOYSA-N 0 0 309.369 3.166 20 10 DGCDRN CCN(C(=O)Cc1ccc(O)c(O)c1)[C@H](C)c1ccc(F)cc1 ZINC001464312953 1183084715 /nfs/dbraw/zinc/08/47/15/1183084715.db2.gz AKBOGSRZJCBWBO-GFCCVEGCSA-N 0 0 317.360 3.389 20 10 DGCDRN CN(c1ccc(CNC(=O)[C@H]2C[C@@H]2F)cc1)C1CCCCC1 ZINC001464544272 1183099070 /nfs/dbraw/zinc/09/90/70/1183099070.db2.gz XIBPVAZTUURLPN-IRXDYDNUSA-N 0 0 304.409 3.430 20 10 DGCDRN COc1cccc(C(F)(F)C(=O)N(C)Cc2ccccc2O)c1 ZINC001465844958 1183172967 /nfs/dbraw/zinc/17/29/67/1183172967.db2.gz ZPEOZSJFIPGONQ-UHFFFAOYSA-N 0 0 321.323 3.151 20 10 DGCDRN C[C@H](CC(=O)c1ccc(F)cc1)C(=O)NCc1ccccc1O ZINC001465990336 1183181013 /nfs/dbraw/zinc/18/10/13/1183181013.db2.gz IMBIAXYNJZNFNS-GFCCVEGCSA-N 0 0 315.344 3.057 20 10 DGCDRN O=C(CCc1ccc(Cl)c(F)c1)NCc1ccccc1O ZINC001465990876 1183181781 /nfs/dbraw/zinc/18/17/81/1183181781.db2.gz VPFPEQSRLKEDQM-UHFFFAOYSA-N 0 0 307.752 3.434 20 10 DGCDRN O=C(Nc1cccc(O)c1F)c1cc2cc(O)c(O)cc2s1 ZINC001466118009 1183188751 /nfs/dbraw/zinc/18/87/51/1183188751.db2.gz BQTPMRFAJIPCMV-UHFFFAOYSA-N 0 0 319.313 3.410 20 10 DGCDRN CC1(NC(=O)c2ccc(N=NC(N)=O)cc2)Cc2ccccc2C1 ZINC001466152684 1183190293 /nfs/dbraw/zinc/19/02/93/1183190293.db2.gz FCSOFONJRSQWAD-UHFFFAOYSA-N 0 0 322.368 3.136 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1cnc2ccccn12 ZINC001467010512 1183236423 /nfs/dbraw/zinc/23/64/23/1183236423.db2.gz VBKXLTJJJXSQPU-UHFFFAOYSA-N 0 0 323.400 3.030 20 10 DGCDRN COc1ccc(CNC(=O)/C=C(/C)c2cccs2)c(O)c1 ZINC001467471397 1183264405 /nfs/dbraw/zinc/26/44/05/1183264405.db2.gz YKCXRASRTBWIJN-FLIBITNWSA-N 0 0 303.383 3.182 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCc2ccc3occc3c2)cc1 ZINC001467967836 1183300787 /nfs/dbraw/zinc/30/07/87/1183300787.db2.gz HJWIWBVDQHRLRM-UHFFFAOYSA-N 0 0 323.396 3.498 20 10 DGCDRN CC(C)(c1ccccc1)C1(NC(=O)c2cccc(O)c2O)CC1 ZINC001468011396 1183304390 /nfs/dbraw/zinc/30/43/90/1183304390.db2.gz NFIOPEULAQFLRI-UHFFFAOYSA-N 0 0 311.381 3.338 20 10 DGCDRN C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC(C)(C)C1 ZINC001468348897 1183327523 /nfs/dbraw/zinc/32/75/23/1183327523.db2.gz GITFXTGYHMFWCM-ZDUSSCGKSA-N 0 0 321.440 3.469 20 10 DGCDRN C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC001468805294 1183361199 /nfs/dbraw/zinc/36/11/99/1183361199.db2.gz OJLWWCHBGZBSJH-SNVBAGLBSA-N 0 0 305.761 3.171 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)c1c(F)cccc1F ZINC001469251617 1183393712 /nfs/dbraw/zinc/39/37/12/1183393712.db2.gz ZMBXKFIEDZRFGT-UHFFFAOYSA-N 0 0 314.291 3.149 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)/C=C/c2ccnc(Cl)c2)c1 ZINC001470254363 1183472373 /nfs/dbraw/zinc/47/23/73/1183472373.db2.gz FMZZYDRWIQUSFA-HWKANZROSA-N 0 0 302.761 3.079 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1C[C@@H](C)O[C@H]1C ZINC001471111777 1183538980 /nfs/dbraw/zinc/53/89/80/1183538980.db2.gz FEHWVBFCNPEAKQ-HZSPNIEDSA-N 0 0 318.442 3.451 20 10 DGCDRN Cc1cc(=O)[nH]c2cc(C(=O)N[C@H](C)c3ccccc3O)ccc12 ZINC001471195709 1183545618 /nfs/dbraw/zinc/54/56/18/1183545618.db2.gz MGDDIEOYIXEMRM-GFCCVEGCSA-N 0 0 322.364 3.445 20 10 DGCDRN O=C(c1ncoc1-c1ccccc1)N1Cc2cccc(O)c2C1 ZINC001471355143 1183558408 /nfs/dbraw/zinc/55/84/08/1183558408.db2.gz BXJQTVAPSMRMRU-UHFFFAOYSA-N 0 0 306.321 3.203 20 10 DGCDRN O=C(Cc1c(F)cccc1Cl)N1Cc2cccc(O)c2C1 ZINC001471355541 1183558424 /nfs/dbraw/zinc/55/84/24/1183558424.db2.gz KDYIQGAMNAAZRT-UHFFFAOYSA-N 0 0 305.736 3.270 20 10 DGCDRN O=C(Cc1cc(-c2ccccc2)on1)N1Cc2cccc(O)c2C1 ZINC001471355762 1183558774 /nfs/dbraw/zinc/55/87/74/1183558774.db2.gz UPHZSZSGMLHORU-UHFFFAOYSA-N 0 0 320.348 3.132 20 10 DGCDRN CCC[C@H](OCC)C(=O)NCc1c(O)ccc2ccccc21 ZINC001472085483 1183614018 /nfs/dbraw/zinc/61/40/18/1183614018.db2.gz UILRIUUCVPNPJO-KRWDZBQOSA-N 0 0 301.386 3.367 20 10 DGCDRN CO[C@H](C(=O)NCc1cccc(Cl)c1O)c1ccccc1 ZINC001472317013 1183634098 /nfs/dbraw/zinc/63/40/98/1183634098.db2.gz QYNBGXADBSGHJW-HNNXBMFYSA-N 0 0 305.761 3.050 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2CCN1CCc2ccccc21 ZINC001473344128 1183746214 /nfs/dbraw/zinc/74/62/14/1183746214.db2.gz HNSSBBFHFGARRJ-UHFFFAOYSA-N 0 0 323.440 3.014 20 10 DGCDRN COc1ccc(N(CCC(C)C)C[C@@H]2CCC3(COC3)O2)cc1 ZINC001473445455 1183756472 /nfs/dbraw/zinc/75/64/72/1183756472.db2.gz LJIHMDZEMQMWIQ-SFHVURJKSA-N 0 0 319.445 3.496 20 10 DGCDRN COc1ccc(N(C)Cc2nnc(-c3cccc(O)c3)o2)cc1 ZINC001473613376 1183781435 /nfs/dbraw/zinc/78/14/35/1183781435.db2.gz RRUFBGUJNGHTSS-UHFFFAOYSA-N 0 0 311.341 3.087 20 10 DGCDRN Oc1c(F)cc(Cl)cc1CNc1cnn(CC(F)F)c1 ZINC001474054590 1183858796 /nfs/dbraw/zinc/85/87/96/1183858796.db2.gz KRRANKANZXBZHV-UHFFFAOYSA-N 0 0 305.687 3.258 20 10 DGCDRN O=C1CCc2cc(NCc3cc(F)cc(F)c3O)c(F)cc2N1 ZINC001474120730 1183871767 /nfs/dbraw/zinc/87/17/67/1183871767.db2.gz CMBZQUWAGSPWEQ-UHFFFAOYSA-N 0 0 322.286 3.306 20 10 DGCDRN COc1cc(C)c(CNc2ccc3ccn(C)c(=O)c3c2)c(O)c1 ZINC001474510050 1183933093 /nfs/dbraw/zinc/93/30/93/1183933093.db2.gz ASWBEYSMCLSWPV-UHFFFAOYSA-N 0 0 324.380 3.173 20 10 DGCDRN Cc1ccc(CN2CCCCN2C(=O)OC(C)(C)C)c(O)c1 ZINC001474609905 1183950289 /nfs/dbraw/zinc/95/02/89/1183950289.db2.gz YYOSSCUGUMIQFR-UHFFFAOYSA-N 0 0 306.406 3.449 20 10 DGCDRN O=c1[nH]ccc2cc(NCc3ccc(Cl)cc3O)ccc21 ZINC001474621477 1183951300 /nfs/dbraw/zinc/95/13/00/1183951300.db2.gz FMWWTXBLODVRGI-UHFFFAOYSA-N 0 0 300.745 3.499 20 10 DGCDRN COC(=O)c1[nH]c2ccccc2c1CN1Cc2cccc(O)c2C1 ZINC001474677232 1183961032 /nfs/dbraw/zinc/96/10/32/1183961032.db2.gz HPGJAGJCHNIRQY-UHFFFAOYSA-N 0 0 322.364 3.176 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OS(=O)(=O)c3ccco3)cc12 ZINC001475403324 1184002014 /nfs/dbraw/zinc/00/20/14/1184002014.db2.gz AFLVKJGMTQPTRM-UHFFFAOYSA-N 0 0 305.355 3.156 20 10 DGCDRN Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC001607811284 1193259824 /nfs/dbraw/zinc/25/98/24/1193259824.db2.gz OYVNHSDMFYKYSY-UWVGGRQHSA-N 0 0 306.387 3.267 20 10 DGCDRN CC/C=C/CNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001476769020 1184050784 /nfs/dbraw/zinc/05/07/84/1184050784.db2.gz YBANMNIMCCJLDP-ZZXKWVIFSA-N 0 0 321.384 3.484 20 10 DGCDRN C[C@H](NC(=O)N(C)Cc1ccc(N2CCCC2)cc1)C(F)F ZINC001477035072 1184063989 /nfs/dbraw/zinc/06/39/89/1184063989.db2.gz DSLSGJNBGQBTQT-LBPRGKRZSA-N 0 0 311.376 3.082 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N[C@@]34C[C@@H]3CCCC4)ccc21 ZINC001477635668 1184103402 /nfs/dbraw/zinc/10/34/02/1184103402.db2.gz RQVKPMCITYINFQ-LPHOPBHVSA-N 0 0 313.445 3.201 20 10 DGCDRN Cn1c2ccc(F)cc2c(C[NH+]2C3CCC2CC3)c1C(=O)[O-] ZINC001608079264 1193277636 /nfs/dbraw/zinc/27/76/36/1193277636.db2.gz MWOUFZAQPRFTDS-UHFFFAOYSA-N 0 0 302.349 3.142 20 10 DGCDRN C[C@@H](CCc1ccco1)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001609740391 1193353198 /nfs/dbraw/zinc/35/31/98/1193353198.db2.gz DYIQMBDSGXAFQH-RYUDHWBXSA-N 0 0 303.358 3.355 20 10 DGCDRN CCCN(C)c1nnc(C)n1Cc1ccc(N(CC)CC)cc1 ZINC001500656751 1185832393 /nfs/dbraw/zinc/83/23/93/1185832393.db2.gz ZBBBMOYTMXTCIK-UHFFFAOYSA-N 0 0 315.465 3.327 20 10 DGCDRN COc1cc(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)ccc1C ZINC001610297786 1193381632 /nfs/dbraw/zinc/38/16/32/1193381632.db2.gz SDNLESBLZKDFIF-GFCCVEGCSA-N 0 0 315.369 3.258 20 10 DGCDRN O=C([O-])[C@H]1CC12CC[NH+](Cc1ccc3ccccc3c1O)CC2 ZINC001610737859 1193406037 /nfs/dbraw/zinc/40/60/37/1193406037.db2.gz DFVAOIURWUPKNL-MRXNPFEDSA-N 0 0 311.381 3.232 20 10 DGCDRN O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1cc(F)ccc1O ZINC001610801845 1193409320 /nfs/dbraw/zinc/40/93/20/1193409320.db2.gz VTDXMZJCTFDLQQ-HOTGVXAUSA-N 0 0 315.344 3.322 20 10 DGCDRN CCc1ccc([C@@H](C)CC(=O)NCc2cccc(O)c2O)cc1 ZINC001520509703 1186949995 /nfs/dbraw/zinc/94/99/95/1186949995.db2.gz UKUFDJHRULAOML-ZDUSSCGKSA-N 0 0 313.397 3.470 20 10 DGCDRN O=C(CC1CC(c2ccccc2)C1)NCc1cccc(O)c1O ZINC001520510094 1186950140 /nfs/dbraw/zinc/95/01/40/1186950140.db2.gz WILBVWCMBIMYRG-UHFFFAOYSA-N 0 0 311.381 3.298 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1CCC[C@H]1CSC ZINC001520738723 1186964867 /nfs/dbraw/zinc/96/48/67/1186964867.db2.gz OTKVYMWHFMNVPQ-JTQLQIEISA-N 0 0 324.475 3.064 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCO[C@H](c2ccccc2)CC1 ZINC001522755055 1187100016 /nfs/dbraw/zinc/10/00/16/1187100016.db2.gz HJLXTMJLDYFOMU-AWEZNQCLSA-N 0 0 303.383 3.058 20 10 DGCDRN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCc1cccc(Cl)c1O ZINC001613057026 1193466680 /nfs/dbraw/zinc/46/66/80/1193466680.db2.gz VLUZHINMJKPRRQ-UHFFFAOYSA-N 0 0 323.692 3.474 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C(C)C)C2COC2)cc1 ZINC001523326142 1187152623 /nfs/dbraw/zinc/15/26/23/1187152623.db2.gz YCAVTHJEIPMKCL-UHFFFAOYSA-N 0 0 312.413 3.344 20 10 DGCDRN COCCCCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001523554794 1187171622 /nfs/dbraw/zinc/17/16/22/1187171622.db2.gz ZYJUFGGRTSPHAH-UHFFFAOYSA-N 0 0 304.434 3.062 20 10 DGCDRN Oc1cccc(O)c1CNc1cnc2cc(Cl)ccc2n1 ZINC001612967133 1193465035 /nfs/dbraw/zinc/46/50/35/1193465035.db2.gz QCXIPOHDUWYBGH-UHFFFAOYSA-N 0 0 301.733 3.307 20 10 DGCDRN CCCCO[C@@H](C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001525107479 1187297103 /nfs/dbraw/zinc/29/71/03/1187297103.db2.gz STSXNCGIRABBOC-INIZCTEOSA-N 0 0 318.461 3.450 20 10 DGCDRN COc1ccc(N(C)C(=O)/C(C)=C\c2cccnc2)c(OC)c1 ZINC001526512296 1187370494 /nfs/dbraw/zinc/37/04/94/1187370494.db2.gz VSHSTMKHPSVVPS-RAXLEYEMSA-N 0 0 312.369 3.165 20 10 DGCDRN COc1ccc(N(C)C(=O)/C(C)=C/c2cccnc2)c(OC)c1 ZINC001526512294 1187370886 /nfs/dbraw/zinc/37/08/86/1187370886.db2.gz VSHSTMKHPSVVPS-JLHYYAGUSA-N 0 0 312.369 3.165 20 10 DGCDRN CCN(C(=O)/C=C/c1cn(C)cn1)c1ccc(Cl)c(F)c1 ZINC001530330702 1187621484 /nfs/dbraw/zinc/62/14/84/1187621484.db2.gz UANUQEJTKQLYFP-QPJJXVBHSA-N 0 0 307.756 3.279 20 10 DGCDRN CC/C(C)=C(/C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001530897851 1187652820 /nfs/dbraw/zinc/65/28/20/1187652820.db2.gz UELJKNSPDWNXMT-PFONDFGASA-N 0 0 304.434 3.336 20 10 DGCDRN CC[C@@H](C)CCC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001531375192 1187682550 /nfs/dbraw/zinc/68/25/50/1187682550.db2.gz RQGXTLYOTKXIDK-OAHLLOKOSA-N 0 0 306.450 3.416 20 10 DGCDRN CCC1(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)COC1 ZINC001531612006 1187699173 /nfs/dbraw/zinc/69/91/73/1187699173.db2.gz JBHXXZZBCUGPDY-UHFFFAOYSA-N 0 0 312.413 3.137 20 10 DGCDRN CO[C@H](C)CCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001531694416 1187705638 /nfs/dbraw/zinc/70/56/38/1187705638.db2.gz RTFUBXUIBCZCEV-OAHLLOKOSA-N 0 0 304.434 3.060 20 10 DGCDRN CC1=NO[C@@](C)(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC001533141651 1187812079 /nfs/dbraw/zinc/81/20/79/1187812079.db2.gz ABQBUVCXRYTRNX-GOSISDBHSA-N 0 0 317.433 3.045 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cnc(F)cc2C)cc1 ZINC001534245848 1187884645 /nfs/dbraw/zinc/88/46/45/1187884645.db2.gz KJIDCASMMORRFP-UHFFFAOYSA-N 0 0 315.392 3.305 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccc3cccnn32)cc1 ZINC001534245409 1187885145 /nfs/dbraw/zinc/88/51/45/1187885145.db2.gz BXPWBVKQLIJYKO-UHFFFAOYSA-N 0 0 322.412 3.111 20 10 DGCDRN Cc1ccc(/C=C\C(=O)N2CCOc3cc(F)c(F)cc32)cn1 ZINC001537928978 1188108393 /nfs/dbraw/zinc/10/83/93/1188108393.db2.gz VAQAGENAISCBMB-PLNGDYQASA-N 0 0 316.307 3.107 20 10 DGCDRN COc1ccc(N(C)CC[C@H](O)c2ccccc2)c(OC)c1 ZINC001616477128 1193540439 /nfs/dbraw/zinc/54/04/39/1193540439.db2.gz RXRGOLGLMNCMBH-KRWDZBQOSA-N 0 0 301.386 3.264 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCCC[C@H]2C)cc1 ZINC001616534010 1193541629 /nfs/dbraw/zinc/54/16/29/1193541629.db2.gz MLLUCJNQMDQFDT-QAPCUYQASA-N 0 0 318.461 3.416 20 10 DGCDRN CO[C@H]1CC[C@H]1N(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001539778407 1188203534 /nfs/dbraw/zinc/20/35/34/1188203534.db2.gz SBBRCHHTSOQIEA-MSOLQXFVSA-N 0 0 312.413 3.344 20 10 DGCDRN C[C@H](NC(=O)CCCc1nccs1)c1ccc(N(C)C)cc1 ZINC001616834774 1193549051 /nfs/dbraw/zinc/54/90/51/1193549051.db2.gz MHQBWENQLQXKMF-ZDUSSCGKSA-N 0 0 317.458 3.409 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)COC1(C)CCC1 ZINC001540567136 1188246074 /nfs/dbraw/zinc/24/60/74/1188246074.db2.gz AGPLJEKNFYRQOE-UHFFFAOYSA-N 0 0 316.445 3.204 20 10 DGCDRN C[C@@H](Cc1ccco1)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001540739597 1188258563 /nfs/dbraw/zinc/25/85/63/1188258563.db2.gz KZTYBNGUDCYUIN-VIFPVBQESA-N 0 0 317.366 3.267 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2cccc(F)c2F)cc1 ZINC001544126401 1188379118 /nfs/dbraw/zinc/37/91/18/1188379118.db2.gz AJXBBHVDGDCUPC-UHFFFAOYSA-N 0 0 304.256 3.380 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(Cl)[nH]2)cc1 ZINC001544580092 1188400337 /nfs/dbraw/zinc/40/03/37/1188400337.db2.gz DXLBAEGUHJNFMZ-UHFFFAOYSA-N 0 0 305.809 3.444 20 10 DGCDRN CCCn1c(CC(C)C)nnc1N(C)Cc1ccccc1O ZINC001547158109 1188445637 /nfs/dbraw/zinc/44/56/37/1188445637.db2.gz JEGFAAFSCMMYBO-UHFFFAOYSA-N 0 0 302.422 3.229 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CC[C@H](c3ccco3)C2)cc1 ZINC001617591658 1193574278 /nfs/dbraw/zinc/57/42/78/1193574278.db2.gz AWSZSPRWUFXNIF-LBPRGKRZSA-N 0 0 312.329 3.072 20 10 DGCDRN COc1cc(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)[nH]n1 ZINC001617873350 1193584068 /nfs/dbraw/zinc/58/40/68/1193584068.db2.gz NFJVWMUEWNFNGC-UHFFFAOYSA-N 0 0 324.384 3.007 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NCc2cccc3cc[nH]c32)cc1 ZINC001556211441 1188990645 /nfs/dbraw/zinc/99/06/45/1188990645.db2.gz KWZVHTMZMDFNLN-UHFFFAOYSA-N 0 0 321.340 3.260 20 10 DGCDRN CC[C@H](Sc1ccccc1)C(=O)NCc1ccc(O)cc1O ZINC001557084994 1189040436 /nfs/dbraw/zinc/04/04/36/1189040436.db2.gz XQAIMQIRSHGWPK-INIZCTEOSA-N 0 0 317.410 3.285 20 10 DGCDRN Cc1ccccc1CC(=O)NCc1ccc2cccnc2c1O ZINC001557120540 1189042258 /nfs/dbraw/zinc/04/22/58/1189042258.db2.gz DERQEHLJHMBZJV-UHFFFAOYSA-N 0 0 306.365 3.108 20 10 DGCDRN O=C(/C=C/c1cccs1)NCc1ccc2cccnc2c1O ZINC001557122264 1189042397 /nfs/dbraw/zinc/04/23/97/1189042397.db2.gz FZYSRXARWFPTKA-BQYQJAHWSA-N 0 0 310.378 3.332 20 10 DGCDRN CC(C)c1cccc(C(=O)NCc2ccc3cccnc3c2O)n1 ZINC001557122396 1189042489 /nfs/dbraw/zinc/04/24/89/1189042489.db2.gz ITWOAJUPWNMLQQ-UHFFFAOYSA-N 0 0 321.380 3.389 20 10 DGCDRN C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@@H]1CC2CCC1CC2 ZINC001557324077 1189057061 /nfs/dbraw/zinc/05/70/61/1189057061.db2.gz JMDFIUZWDFCBAY-NWYIXUTMSA-N 0 0 315.413 3.442 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H]1CO[C@H](C)C1 ZINC001557342039 1189057522 /nfs/dbraw/zinc/05/75/22/1189057522.db2.gz XQTJVBOUVVMCJG-HZPDHXFCSA-N 0 0 312.413 3.310 20 10 DGCDRN C[C@@H](Oc1ccccc1)C(=O)NCc1cc(Cl)ccc1O ZINC001557386523 1189060817 /nfs/dbraw/zinc/06/08/17/1189060817.db2.gz VUUQSQNAGFHOQW-LLVKDONJSA-N 0 0 305.761 3.129 20 10 DGCDRN CC[C@H](C)Oc1cccc(NC(=O)c2ccc(C)c(O)c2O)n1 ZINC001558020542 1189098928 /nfs/dbraw/zinc/09/89/28/1189098928.db2.gz PYAQSERXVRIUIS-NSHDSACASA-N 0 0 316.357 3.231 20 10 DGCDRN O=C(c1ccc2ccccc2c1O)N1Cc2cccc(O)c2C1 ZINC001558035826 1189100809 /nfs/dbraw/zinc/10/08/09/1189100809.db2.gz MWRMPPHTGAEVNZ-UHFFFAOYSA-N 0 0 305.333 3.407 20 10 DGCDRN COc1cc(C2(C(=O)N3Cc4cccc(O)c4C3)CC2)ccc1C ZINC001558035689 1189100987 /nfs/dbraw/zinc/10/09/87/1189100987.db2.gz MIYCSTDNSOIIJD-UHFFFAOYSA-N 0 0 323.392 3.283 20 10 DGCDRN CC[C@@H](C(=O)NCc1cccc(O)c1O)c1ccc(F)cc1 ZINC001558161429 1189108522 /nfs/dbraw/zinc/10/85/22/1189108522.db2.gz NLGOGLRVZWJIBG-CQSZACIVSA-N 0 0 303.333 3.047 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1ccccc1C(F)(F)F ZINC001558533553 1189132405 /nfs/dbraw/zinc/13/24/05/1189132405.db2.gz GWYDCLZWBYLJBZ-UHFFFAOYSA-N 0 0 311.259 3.047 20 10 DGCDRN CCn1nc(C)cc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001558553960 1189132803 /nfs/dbraw/zinc/13/28/03/1189132803.db2.gz HJTILUHCWISXDF-UHFFFAOYSA-N 0 0 309.369 3.000 20 10 DGCDRN CC(C)Cc1cc(N[C@@H](C)Cc2ccc(O)c(O)c2)ncn1 ZINC001559163326 1189176735 /nfs/dbraw/zinc/17/67/35/1189176735.db2.gz QPPVPJKXLGXHIC-LBPRGKRZSA-N 0 0 301.390 3.129 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1cccnc1[N+](=O)[O-] ZINC001559214631 1189181651 /nfs/dbraw/zinc/18/16/51/1189181651.db2.gz QRDCILATTSEWTB-CYBMUJFWSA-N 0 0 314.389 3.407 20 10 DGCDRN CCc1ccc(COc2ccc(N(C)C)c(C(=O)OC)c2)nc1 ZINC001559457025 1189206597 /nfs/dbraw/zinc/20/65/97/1189206597.db2.gz XPBWHCOIEOOLHR-UHFFFAOYSA-N 0 0 314.385 3.076 20 10 DGCDRN CC[C@@H](NCc1cc(Cl)cc(C(C)=O)c1O)c1noc(C)n1 ZINC001559736977 1189236371 /nfs/dbraw/zinc/23/63/71/1189236371.db2.gz SKCWPCUAFDLJBT-CYBMUJFWSA-N 0 0 323.780 3.181 20 10 DGCDRN CN(C)c1ccc(CN2CC=CCN2C(=O)OC(C)(C)C)cc1 ZINC001560026998 1189270123 /nfs/dbraw/zinc/27/01/23/1189270123.db2.gz MXYSNBGZMPRYJM-UHFFFAOYSA-N 0 0 317.433 3.277 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CSCCS1 ZINC001560370906 1189319119 /nfs/dbraw/zinc/31/91/19/1189319119.db2.gz BNIVQIOTHHISHZ-SNVBAGLBSA-N 0 0 307.843 3.123 20 10 DGCDRN Oc1c(F)cc(Cl)cc1CNc1cnn(-c2ccccn2)c1 ZINC001560400045 1189324119 /nfs/dbraw/zinc/32/41/19/1189324119.db2.gz QCOOJHOEXPEAIZ-UHFFFAOYSA-N 0 0 318.739 3.378 20 10 DGCDRN CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1(C)C ZINC001560414939 1189325552 /nfs/dbraw/zinc/32/55/52/1189325552.db2.gz RIHJLHISCXWCMT-NFMODRRSSA-N 0 0 301.789 3.334 20 10 DGCDRN C[C@H]1Cc2cc(CN3CCOc4cc(N(C)C)ccc43)ccc2O1 ZINC001560736132 1189370673 /nfs/dbraw/zinc/37/06/73/1189370673.db2.gz MEIGZOAIBHVXJR-AWEZNQCLSA-N 0 0 324.424 3.475 20 10 DGCDRN [O-]c1c(C[NH2+][C@@H]2COc3cc(F)cc(F)c32)ccc(F)c1F ZINC001560750843 1189374059 /nfs/dbraw/zinc/37/40/59/1189374059.db2.gz CKOPLSCWNYHLGO-LLVKDONJSA-N 0 0 313.250 3.172 20 10 DGCDRN Cc1cc(O)c(CN2C[C@@H](CO)c3ccccc32)cc1Cl ZINC001560845921 1189393818 /nfs/dbraw/zinc/39/38/18/1189393818.db2.gz UVHHVGASNWWGGP-ZDUSSCGKSA-N 0 0 303.789 3.450 20 10 DGCDRN COC(=O)[C@@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)CC(C)C ZINC001560863512 1189396091 /nfs/dbraw/zinc/39/60/91/1189396091.db2.gz VFPISZVLKFOUGW-SNVBAGLBSA-N 0 0 317.788 3.110 20 10 DGCDRN COC(=O)[C@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)CC(C)C ZINC001560863511 1189396362 /nfs/dbraw/zinc/39/63/62/1189396362.db2.gz VFPISZVLKFOUGW-JTQLQIEISA-N 0 0 317.788 3.110 20 10 DGCDRN COC(=O)[C@@]1(C)C[N@H+](Cc2ccc3ccccc3c2O)C[C@@H]1C ZINC001560966948 1189411384 /nfs/dbraw/zinc/41/13/84/1189411384.db2.gz QVHVIAPOIACJHQ-DJJJIMSYSA-N 0 0 313.397 3.176 20 10 DGCDRN O=C(NCc1c(O)cccc1F)NC[C@@H]1CCC[C@H]1C1CC1 ZINC001564921809 1189606676 /nfs/dbraw/zinc/60/66/76/1189606676.db2.gz MCLMPUHCDXXVMJ-STQMWFEESA-N 0 0 306.381 3.157 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC001565461029 1189647527 /nfs/dbraw/zinc/64/75/27/1189647527.db2.gz XSNINCFUWXJTHE-KBAYOESNSA-N 0 0 315.461 3.473 20 10 DGCDRN O=C(Nc1ccnn1Cc1ccc(F)cc1)C1=CC(=O)CS1 ZINC001565569728 1189656263 /nfs/dbraw/zinc/65/62/63/1189656263.db2.gz AQCJZWALNXANTQ-UHFFFAOYSA-N 0 0 317.345 3.090 20 10 DGCDRN O=C(N[C@H]1CCc2cc(F)c(F)c(F)c21)C1=CC(=O)CS1 ZINC001569132335 1190634379 /nfs/dbraw/zinc/63/43/79/1190634379.db2.gz BTLIQYNWWIZYIW-VIFPVBQESA-N 0 0 313.300 3.288 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC[C@@H](C)F ZINC001569839629 1190762356 /nfs/dbraw/zinc/76/23/56/1190762356.db2.gz NYTRVPAGWBOTCG-GFCCVEGCSA-N 0 0 316.376 3.385 20 10 DGCDRN CC(=O)c1cc(NC(=O)NCCc2ccc(N)cc2)ccc1C ZINC001575033465 1191463287 /nfs/dbraw/zinc/46/32/87/1191463287.db2.gz NODYYVRHUOXKCU-UHFFFAOYSA-N 0 0 311.385 3.144 20 10 DGCDRN CC(C)(NC(=O)NCc1ccc(N)cc1)c1ccc(F)cc1 ZINC001575379674 1191477448 /nfs/dbraw/zinc/47/74/48/1191477448.db2.gz AFZDHQNGWTVKAX-UHFFFAOYSA-N 0 0 301.365 3.142 20 10 DGCDRN CC[C@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1cn[nH]n1 ZINC001576277604 1191553211 /nfs/dbraw/zinc/55/32/11/1191553211.db2.gz RUSHJPHMRXOOCN-INIZCTEOSA-N 0 0 323.400 3.093 20 10 DGCDRN COc1ccc(N(CC(C)C)C[C@@H]2CN(C3CC3)C(=O)O2)cc1 ZINC001618637565 1193746187 /nfs/dbraw/zinc/74/61/87/1193746187.db2.gz NPYCBULLPXJLRV-QGZVFWFLSA-N 0 0 318.417 3.141 20 10 DGCDRN Oc1cccc(Br)c1CNc1cnc2n[nH]cc2c1 ZINC001621091257 1193800419 /nfs/dbraw/zinc/80/04/19/1193800419.db2.gz KOCRQVPBZVHONI-UHFFFAOYSA-N 0 0 319.162 3.038 20 10 DGCDRN CN(C)c1cc(F)c(CN2CCC[C@H](OCC3CC3)C2)cc1F ZINC001621274051 1193825751 /nfs/dbraw/zinc/82/57/51/1193825751.db2.gz XVPSSXBFAOMTOI-HNNXBMFYSA-N 0 0 324.415 3.422 20 10 DGCDRN CCc1cccc(CNc2ccc(-c3nc(C)no3)nc2)c1O ZINC001621344535 1193831073 /nfs/dbraw/zinc/83/10/73/1193831073.db2.gz SBQAUZRNFLCQED-UHFFFAOYSA-N 0 0 310.357 3.320 20 10 DGCDRN Cc1cc(O)c(CNc2cccc3c2NC(=O)CO3)c(Cl)c1 ZINC001621493116 1193850468 /nfs/dbraw/zinc/85/04/68/1193850468.db2.gz IJHPULLVQUOSOY-UHFFFAOYSA-N 0 0 318.760 3.297 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ccc(F)c2cccnc12 ZINC001622317731 1193894697 /nfs/dbraw/zinc/89/46/97/1193894697.db2.gz WITCMVITTDHRGU-UHFFFAOYSA-N 0 0 310.328 3.352 20 10 DGCDRN Cc1cc(C)c(S(=O)(=O)N2Cc3cccc(O)c3C2)c(C)c1 ZINC001622483125 1193902157 /nfs/dbraw/zinc/90/21/57/1193902157.db2.gz CIVATHFBAFBVQX-UHFFFAOYSA-N 0 0 317.410 3.022 20 10 DGCDRN CC1(C)CO[C@@H](CC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC001622664064 1193908589 /nfs/dbraw/zinc/90/85/89/1193908589.db2.gz FIUDUKVQOTVTCD-AWEZNQCLSA-N 0 0 317.429 3.092 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cc2c[nH]ccc-2n1 ZINC001622664598 1193908819 /nfs/dbraw/zinc/90/88/19/1193908819.db2.gz YRUAICLCEALBKF-UHFFFAOYSA-N 0 0 321.380 3.077 20 10 DGCDRN CC(C)(C(=O)NCc1c(O)ccc2c1CCCC2)c1ccccn1 ZINC001622664095 1193908837 /nfs/dbraw/zinc/90/88/37/1193908837.db2.gz GRQKYCFCNJSMJO-UHFFFAOYSA-N 0 0 324.424 3.260 20 10 DGCDRN Cc1ccccc1[C@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001625179150 1194036512 /nfs/dbraw/zinc/03/65/12/1194036512.db2.gz KVMRWKFQQWTFCZ-MRXNPFEDSA-N 0 0 311.381 3.312 20 10 DGCDRN C[C@@H](NC(=O)c1cc(F)cc(F)c1N)c1ccc(N(C)C)cc1 ZINC001625544178 1194057536 /nfs/dbraw/zinc/05/75/36/1194057536.db2.gz QSTIXDKQAXLXOM-SNVBAGLBSA-N 0 0 319.355 3.104 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCc2c1cccc2Cl ZINC001625548906 1194058058 /nfs/dbraw/zinc/05/80/58/1194058058.db2.gz DBZVBVJBYGGMOT-CQSZACIVSA-N 0 0 317.772 3.097 20 10 DGCDRN COCC(C)(C)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001625757383 1194067668 /nfs/dbraw/zinc/06/76/68/1194067668.db2.gz BBOMKPRCRFZMQH-UHFFFAOYSA-N 0 0 320.393 3.032 20 10 DGCDRN COc1ccc(CN(C)C(=O)C2=CC(=O)CS2)cc1Cl ZINC001626687296 1194089778 /nfs/dbraw/zinc/08/97/78/1194089778.db2.gz PVEKIMMZXMCECS-UHFFFAOYSA-N 0 0 311.790 3.388 20 10 DGCDRN CCc1ccccc1C(=O)NCc1ccc2cccnc2c1O ZINC001627073508 1194110599 /nfs/dbraw/zinc/11/05/99/1194110599.db2.gz QHJAZARQSKCPFV-UHFFFAOYSA-N 0 0 306.365 3.433 20 10 DGCDRN O=C(NCCCSc1nccs1)c1nccc2occc21 ZINC001627199285 1194115856 /nfs/dbraw/zinc/11/58/56/1194115856.db2.gz ZUKWGLSYQNNNNH-UHFFFAOYSA-N 0 0 319.411 3.197 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)NCCCc1ccc(Cl)cc1 ZINC001627558696 1194134578 /nfs/dbraw/zinc/13/45/78/1194134578.db2.gz KPAMTYXWKRWAOB-UHFFFAOYSA-N 0 0 319.788 3.043 20 10 DGCDRN Cc1cc(CC(=O)N(C)c2ccnn2C)c(C)n1-c1ccccc1 ZINC001628082652 1194159249 /nfs/dbraw/zinc/15/92/49/1194159249.db2.gz BHQMCNFSQUTGDA-UHFFFAOYSA-N 0 0 322.412 3.033 20 10 DGCDRN CC(=O)c1ccccc1C(=O)NCc1cc(Cl)ccc1O ZINC001628666557 1194190351 /nfs/dbraw/zinc/19/03/51/1194190351.db2.gz GDCZPZOCNSGZJK-UHFFFAOYSA-N 0 0 303.745 3.178 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)c(O)c1O ZINC001628946350 1194204849 /nfs/dbraw/zinc/20/48/49/1194204849.db2.gz YNUJKMREDADIRE-HZSPNIEDSA-N 0 0 303.402 3.495 20 10 DGCDRN CC[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(F)cc1F ZINC001629497362 1194237646 /nfs/dbraw/zinc/23/76/46/1194237646.db2.gz XBSZGSFIPYCREB-AWEZNQCLSA-N 0 0 321.323 3.186 20 10 DGCDRN CCCCO[C@H]1C[C@H](NC(=O)c2ccc(C)c(O)c2O)C1(C)C ZINC001629523458 1194239205 /nfs/dbraw/zinc/23/92/05/1194239205.db2.gz YIXHBJDCHGEUKT-KBPBESRZSA-N 0 0 321.417 3.120 20 10 DGCDRN C[C@@H](SCc1ccccc1)C(=O)NCc1ccc(O)cc1O ZINC001630301532 1194279335 /nfs/dbraw/zinc/27/93/35/1194279335.db2.gz FACUPWSQPYWUIA-GFCCVEGCSA-N 0 0 317.410 3.036 20 10 DGCDRN Cc1nc(C)c(NC(=O)c2ccc(N=NC(N)=O)cc2)s1 ZINC001630697825 1194298423 /nfs/dbraw/zinc/29/84/23/1194298423.db2.gz WHXHWVHGRAQCOM-UHFFFAOYSA-N 0 0 303.347 3.175 20 10 DGCDRN CC[C@H](C)Oc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001631058436 1194316650 /nfs/dbraw/zinc/31/66/50/1194316650.db2.gz VCLOLIZBWNSNRG-LBPRGKRZSA-N 0 0 315.369 3.456 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)NCC(C)(C)F)cc2)CC1 ZINC001631322023 1194329789 /nfs/dbraw/zinc/32/97/89/1194329789.db2.gz WHJDIWUUHFKYAP-UHFFFAOYSA-N 0 0 321.440 3.470 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1ccc(C(F)F)cc1F ZINC001631435037 1194335221 /nfs/dbraw/zinc/33/52/21/1194335221.db2.gz XPIMWUSQZUPKTJ-UHFFFAOYSA-N 0 0 311.259 3.105 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCC[C@@H]1CC[C@H]2C[C@H]21 ZINC001631505585 1194338715 /nfs/dbraw/zinc/33/87/15/1194338715.db2.gz GPGZSYPWJDMFJP-MPGHIAIKSA-N 0 0 315.461 3.296 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC001631628028 1194346114 /nfs/dbraw/zinc/34/61/14/1194346114.db2.gz QQKIJAUPANWCEQ-SQWLQELKSA-N 0 0 302.418 3.469 20 10 DGCDRN Cc1ccc(C(=O)N[C@H](C)[C@@H]2CC3CCC2CC3)c(O)c1O ZINC001631862726 1194359388 /nfs/dbraw/zinc/35/93/88/1194359388.db2.gz KTGXVHYNRMLPBK-LPXQKFACSA-N 0 0 303.402 3.351 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)CC(C)=C(C)C)CC2)cc1 ZINC001632157863 1194373567 /nfs/dbraw/zinc/37/35/67/1194373567.db2.gz GDXNKEBURVQVBM-UHFFFAOYSA-N 0 0 316.445 3.480 20 10 DGCDRN C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1ccc[nH]1 ZINC001632209874 1194376679 /nfs/dbraw/zinc/37/66/79/1194376679.db2.gz CBZBXDGPBQIERI-QMMMGPOBSA-N 0 0 302.355 3.132 20 10 DGCDRN C[C@H](NC(=O)c1ccccc1OC(F)F)c1ccccc1O ZINC001632249991 1194379415 /nfs/dbraw/zinc/37/94/15/1194379415.db2.gz GRQGEYNLGYBPJL-JTQLQIEISA-N 0 0 307.296 3.485 20 10 DGCDRN O=C(c1csc(-c2ccccn2)n1)N1Cc2cccc(O)c2C1 ZINC001632708916 1194402742 /nfs/dbraw/zinc/40/27/42/1194402742.db2.gz IJWGUIHTHMNRKG-UHFFFAOYSA-N 0 0 323.377 3.067 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CCc2nc3ccccc3o2)c1 ZINC001633283104 1194429931 /nfs/dbraw/zinc/42/99/31/1194429931.db2.gz ULZDRXYXWQYFQC-UHFFFAOYSA-N 0 0 310.353 3.091 20 10 DGCDRN C[C@H](C(=O)NCc1cc(O)ccc1O)c1cn(C)c2ccccc12 ZINC001633599145 1194445228 /nfs/dbraw/zinc/44/52/28/1194445228.db2.gz PXYCICHWQIDHTR-LBPRGKRZSA-N 0 0 324.380 3.009 20 10 DGCDRN COc1ccc([C@H](C)NC(=O)c2ccc(C)c(O)c2O)cc1C ZINC001634135453 1194475912 /nfs/dbraw/zinc/47/59/12/1194475912.db2.gz KXVRIKMOQGISEJ-LBPRGKRZSA-N 0 0 315.369 3.214 20 10 DGCDRN Cc1cscc1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001634536056 1194500185 /nfs/dbraw/zinc/50/01/85/1194500185.db2.gz YRPBNMMHFTVKEC-UHFFFAOYSA-N 0 0 302.359 3.149 20 10 DGCDRN C[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)CC12CCCCC2 ZINC001634615911 1194504705 /nfs/dbraw/zinc/50/47/05/1194504705.db2.gz TWBYGERMSVFSGA-AWEZNQCLSA-N 0 0 317.429 3.459 20 10 DGCDRN Cc1cc(C)c2cc(NC(=O)Cc3ccc(O)c(O)c3)ccc2n1 ZINC001634798352 1194516144 /nfs/dbraw/zinc/51/61/44/1194516144.db2.gz BQMROMYBMZPJMT-UHFFFAOYSA-N 0 0 322.364 3.444 20 10 DGCDRN COc1ccc(CNC(=O)/C=C(/C)c2ccccc2C)c(O)c1 ZINC001635038813 1194529318 /nfs/dbraw/zinc/52/93/18/1194529318.db2.gz QGSJXWWKINGBHY-UVTDQMKNSA-N 0 0 311.381 3.429 20 10 DGCDRN CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1c(O)cccc1F ZINC001635360245 1194546669 /nfs/dbraw/zinc/54/66/69/1194546669.db2.gz FRMIZOMRMCJARK-QGZVFWFLSA-N 0 0 317.360 3.314 20 10 DGCDRN C[C@H](F)CCNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001635570237 1194559295 /nfs/dbraw/zinc/55/92/95/1194559295.db2.gz GXBNWMXYTAERPJ-AWEZNQCLSA-N 0 0 307.413 3.176 20 10 DGCDRN COc1ccc2cc(C(=O)N(C)Cc3ccccc3O)cnc2c1 ZINC001635658051 1194564803 /nfs/dbraw/zinc/56/48/03/1194564803.db2.gz GMKGUANZWUOXKZ-UHFFFAOYSA-N 0 0 322.364 3.221 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(F)c(C=O)c1 ZINC001635662895 1194565348 /nfs/dbraw/zinc/56/53/48/1194565348.db2.gz HBMWWAJFJIYQFF-UHFFFAOYSA-N 0 0 315.344 3.396 20 10 DGCDRN C[C@@H](NC(=O)COCc1cccc(Cl)c1)c1ccccc1O ZINC001635798983 1194572453 /nfs/dbraw/zinc/57/24/53/1194572453.db2.gz KWEHHIXYKXTXGL-GFCCVEGCSA-N 0 0 319.788 3.440 20 10 DGCDRN C[C@H](NC(=O)COc1ccc(F)c(Cl)c1)c1ccccc1O ZINC001635799034 1194572672 /nfs/dbraw/zinc/57/26/72/1194572672.db2.gz MWDIURPKCHIGFV-JTQLQIEISA-N 0 0 323.751 3.441 20 10 DGCDRN COc1ccc(C(F)(F)C(=O)N[C@H](C)c2ccccc2O)cc1 ZINC001635794183 1194572868 /nfs/dbraw/zinc/57/28/68/1194572868.db2.gz ZFDJHJLRXOFOPL-LLVKDONJSA-N 0 0 321.323 3.370 20 10 DGCDRN COc1ccccc1SCC(=O)N[C@@H](C)c1ccccc1O ZINC001635803419 1194573508 /nfs/dbraw/zinc/57/35/08/1194573508.db2.gz DTQOQTZOLAFJPK-LBPRGKRZSA-N 0 0 317.410 3.370 20 10 DGCDRN C[C@H](NC(=O)c1ccnc(-c2ccccc2)n1)c1ccccc1O ZINC001635804023 1194573655 /nfs/dbraw/zinc/57/36/55/1194573655.db2.gz NLMSIHPFYQNXPI-ZDUSSCGKSA-N 0 0 319.364 3.340 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1ccc(F)c2ccccc12 ZINC001635846930 1194575478 /nfs/dbraw/zinc/57/54/78/1194575478.db2.gz DNAANAWFIMSFQS-UHFFFAOYSA-N 0 0 311.312 3.320 20 10 DGCDRN C[C@H](CC(=O)NCc1c(O)cccc1O)c1c[nH]c2ccccc21 ZINC001635847361 1194575547 /nfs/dbraw/zinc/57/55/47/1194575547.db2.gz MNSWVGXNPRBYPR-GFCCVEGCSA-N 0 0 324.380 3.389 20 10 DGCDRN CC(C)Oc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001636075279 1194591689 /nfs/dbraw/zinc/59/16/89/1194591689.db2.gz XYYWLGCRIAFIDI-UHFFFAOYSA-N 0 0 301.342 3.066 20 10 DGCDRN CCSc1ccc(CNC(=O)c2ccc(C)c(O)c2O)cc1 ZINC001636750782 1194632361 /nfs/dbraw/zinc/63/23/61/1194632361.db2.gz MQHIPUWMCGNCAS-UHFFFAOYSA-N 0 0 317.410 3.448 20 10 DGCDRN CC(C)c1scnc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001636884626 1194638326 /nfs/dbraw/zinc/63/83/26/1194638326.db2.gz LEPFXDJDDSIWDC-GQCTYLIASA-N 0 0 304.371 3.330 20 10 DGCDRN Cc1cc(C)cc(OCC(=O)NCc2cccc(Cl)c2O)c1 ZINC001637219232 1194658306 /nfs/dbraw/zinc/65/83/06/1194658306.db2.gz YZUCBVUPDKBKIN-UHFFFAOYSA-N 0 0 319.788 3.358 20 10 DGCDRN CC(C)(C)c1coc(NC(=O)c2ccc(N=NC(N)=O)cc2)n1 ZINC001637317258 1194662670 /nfs/dbraw/zinc/66/26/70/1194662670.db2.gz VJOPKRZHSKCJBU-UHFFFAOYSA-N 0 0 315.333 3.387 20 10 DGCDRN CC(C)Oc1ccc(N(C)C(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001638552847 1194724069 /nfs/dbraw/zinc/72/40/69/1194724069.db2.gz FFHYVIUFWSWIGD-UHFFFAOYSA-N 0 0 315.369 3.091 20 10 DGCDRN C[C@@]1(C(=O)NCc2c(O)cccc2F)CCCc2ccccc21 ZINC001638864383 1194741346 /nfs/dbraw/zinc/74/13/46/1194741346.db2.gz YPQDTYDFSFNJRC-LJQANCHMSA-N 0 0 313.372 3.442 20 10 DGCDRN C[C@@H](NC(=O)c1c[nH]nc1-c1ccco1)c1ccc(N(C)C)cc1 ZINC001638955970 1194744508 /nfs/dbraw/zinc/74/45/08/1194744508.db2.gz DHPKOWWTDVFSBE-GFCCVEGCSA-N 0 0 324.384 3.227 20 10 DGCDRN CC1(C)C[C@]1(C(=O)NCc1c(O)cccc1O)c1ccccc1 ZINC001639292504 1194759137 /nfs/dbraw/zinc/75/91/37/1194759137.db2.gz GFBLCESJGRFYEM-LJQANCHMSA-N 0 0 311.381 3.082 20 10 DGCDRN Cc1ccc(C2(C(=O)NCc3c(O)cccc3O)CCC2)cc1 ZINC001639292631 1194759222 /nfs/dbraw/zinc/75/92/22/1194759222.db2.gz KWXVROQVHJTSRA-UHFFFAOYSA-N 0 0 311.381 3.144 20 10 DGCDRN CCc1ccc(CC(=O)NCc2c(O)ccc3ccccc32)nc1 ZINC001639387825 1194762852 /nfs/dbraw/zinc/76/28/52/1194762852.db2.gz SAXMOSUMPSEHSU-UHFFFAOYSA-N 0 0 320.392 3.362 20 10 DGCDRN C/C(=C\c1ccco1)C(=O)NCc1ccc2cccnc2c1O ZINC001639624597 1194774209 /nfs/dbraw/zinc/77/42/09/1194774209.db2.gz BOEQRLQDIDOAOQ-ZRDIBKRKSA-N 0 0 308.337 3.253 20 10 DGCDRN CSc1ccc(O)c(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC001639966197 1194789336 /nfs/dbraw/zinc/78/93/36/1194789336.db2.gz XQEIQKBWCHQIAD-UHFFFAOYSA-N 0 0 323.801 3.403 20 10 DGCDRN Cc1cccc(C(=O)NCc2cc(Cl)ccc2O)c1[N+](=O)[O-] ZINC001639965667 1194789534 /nfs/dbraw/zinc/78/95/34/1194789534.db2.gz OHLCQKPUNWFHDR-UHFFFAOYSA-N 0 0 320.732 3.192 20 10 DGCDRN COC(=O)c1ccccc1CSc1ncc([N+](=O)[O-])s1 ZINC001640127097 1194797737 /nfs/dbraw/zinc/79/77/37/1194797737.db2.gz OHOQZEJHFLHHJK-UHFFFAOYSA-N 0 0 310.356 3.130 20 10 DGCDRN O=C(Nc1nc(C2CC2)c[nH]1)c1cc2cc(O)c(O)cc2s1 ZINC001640304999 1194806118 /nfs/dbraw/zinc/80/61/18/1194806118.db2.gz UVKXRIZFXXIWAB-UHFFFAOYSA-N 0 0 315.354 3.165 20 10 DGCDRN O=[N+]([O-])c1cccc2c1ccnc2NCc1cc(O)ccc1O ZINC001640350723 1194807537 /nfs/dbraw/zinc/80/75/37/1194807537.db2.gz OSMLENXKPNZOHF-UHFFFAOYSA-N 0 0 311.297 3.166 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cnc3c(F)cccc3c2)c1 ZINC001640796425 1194828050 /nfs/dbraw/zinc/82/80/50/1194828050.db2.gz DIKZFOWJCZRAEO-UHFFFAOYSA-N 0 0 310.328 3.318 20 10 DGCDRN Cc1ccccc1OCC(=O)NCc1cc(Cl)ccc1O ZINC001640920917 1194832803 /nfs/dbraw/zinc/83/28/03/1194832803.db2.gz XOQLXNMDRISZEX-UHFFFAOYSA-N 0 0 305.761 3.049 20 10 DGCDRN C[C@H]1CC(CNC(=O)/C=C/c2ccc(O)c(O)c2)C[C@H](C)C1 ZINC001641082273 1194838734 /nfs/dbraw/zinc/83/87/34/1194838734.db2.gz HUWLIVGJGBWJEP-LOWFTVKWSA-N 0 0 303.402 3.300 20 10 DGCDRN Cc1cc(C(=O)Nn2ccnn2)c(C)n1-c1cccc(C(C)C)c1 ZINC001641152175 1194841841 /nfs/dbraw/zinc/84/18/41/1194841841.db2.gz CZHOPVJDQJWBPY-UHFFFAOYSA-N 0 0 323.400 3.193 20 10 DGCDRN COC(=O)c1cc(OC[C@@H]2CC[C@H]3C[C@H]3C2)ccc1N(C)C ZINC001641368745 1194850590 /nfs/dbraw/zinc/85/05/90/1194850590.db2.gz TYBISABBDXSEKC-HZSPNIEDSA-N 0 0 303.402 3.354 20 10 DGCDRN COC(=O)c1cc(OCOC2CCCCC2)ccc1N(C)C ZINC001641368628 1194850613 /nfs/dbraw/zinc/85/06/13/1194850613.db2.gz ONPSKGRAUGTJCP-UHFFFAOYSA-N 0 0 307.390 3.225 20 10 DGCDRN O=C(NCc1c(Cl)oc2ccccc21)c1cccc(O)c1O ZINC001641441964 1194853935 /nfs/dbraw/zinc/85/39/35/1194853935.db2.gz JHPRPUSDMINGRZ-UHFFFAOYSA-N 0 0 317.728 3.427 20 10 DGCDRN Cc1cc(CC(=O)NOC/C=C\Cl)c(C)n1-c1ccccc1 ZINC001642038189 1194885286 /nfs/dbraw/zinc/88/52/86/1194885286.db2.gz RCIGYLARVJJSEF-TWGQIWQCSA-N 0 0 318.804 3.437 20 10 DGCDRN COC(=O)c1cnc(Sc2sccc2[N+](=O)[O-])s1 ZINC001642725526 1194932806 /nfs/dbraw/zinc/93/28/06/1194932806.db2.gz RYGQDHACMASNBO-UHFFFAOYSA-N 0 0 302.358 3.051 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)c2ccccc2O)nn1-c1ccccc1 ZINC001642827226 1194943313 /nfs/dbraw/zinc/94/33/13/1194943313.db2.gz CMRHKBONPVWCIE-AWEZNQCLSA-N 0 0 321.380 3.377 20 10 DGCDRN C[C@H](NC(=O)c1ccncc1Br)c1ccccc1O ZINC001642831209 1194944740 /nfs/dbraw/zinc/94/47/40/1194944740.db2.gz SVXLZDUHJSFPPC-VIFPVBQESA-N 0 0 321.174 3.041 20 10 DGCDRN C[C@H](NC(=O)c1cccc(Br)n1)c1ccccc1O ZINC001642831259 1194944298 /nfs/dbraw/zinc/94/42/98/1194944298.db2.gz UZRQUPNJHOVUQZ-VIFPVBQESA-N 0 0 321.174 3.041 20 10 DGCDRN C[C@H](NC(=O)c1cnn(C)c1-c1ccccc1)c1ccccc1O ZINC001642831370 1194944878 /nfs/dbraw/zinc/94/48/78/1194944878.db2.gz YRXNYIUQUWGCHD-ZDUSSCGKSA-N 0 0 321.380 3.284 20 10 DGCDRN Cc1ccc(SCC(=O)NCc2cccc(O)c2O)c(C)c1 ZINC001643809853 1195055431 /nfs/dbraw/zinc/05/54/31/1195055431.db2.gz UXMAVQPJWAPOOK-UHFFFAOYSA-N 0 0 317.410 3.123 20 10 DGCDRN CSCc1cc(C(=O)NCc2cccc(O)c2O)ccc1F ZINC001643812570 1195056749 /nfs/dbraw/zinc/05/67/49/1195056749.db2.gz LKOWNKYVGKYMCV-UHFFFAOYSA-N 0 0 321.373 3.030 20 10 DGCDRN CC[C@@H](C)Oc1ccc(C(=O)NCc2cc(O)ccc2O)cc1 ZINC001643882208 1195060650 /nfs/dbraw/zinc/06/06/50/1195060650.db2.gz QMNLDWJEKNRPOY-GFCCVEGCSA-N 0 0 315.369 3.205 20 10 DGCDRN O=C(c1cc(-c2ccc(F)cc2)on1)N1Cc2cccc(O)c2C1 ZINC001644088052 1195080432 /nfs/dbraw/zinc/08/04/32/1195080432.db2.gz CXMRNHDABNLUNV-UHFFFAOYSA-N 0 0 324.311 3.342 20 10 DGCDRN CCOC(=O)/C=C\CN(CC1CC1)c1ccc(OCC)cc1 ZINC001644161992 1195086308 /nfs/dbraw/zinc/08/63/08/1195086308.db2.gz RYZDZOGLHQUEBM-WAYWQWQTSA-N 0 0 303.402 3.421 20 10 DGCDRN C[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC001644183470 1195087271 /nfs/dbraw/zinc/08/72/71/1195087271.db2.gz NBCQUJYIKZPPOM-CYBMUJFWSA-N 0 0 316.357 3.420 20 10 DGCDRN COc1cc(CC(=O)NCc2cc(Cl)ccc2O)ccc1C ZINC001644590893 1195119065 /nfs/dbraw/zinc/11/90/65/1195119065.db2.gz SZUNSICQKNZKQN-UHFFFAOYSA-N 0 0 319.788 3.222 20 10 DGCDRN C[C@H](CC(=O)NCc1cc(O)ccc1O)c1cccc(F)c1 ZINC001644754509 1195131565 /nfs/dbraw/zinc/13/15/65/1195131565.db2.gz ZLVUAYCGSABYJP-LLVKDONJSA-N 0 0 303.333 3.047 20 10 DGCDRN CCCOC(=O)[C@@H](C)N1CCCc2cc(OC(F)F)ccc21 ZINC001644806138 1195136060 /nfs/dbraw/zinc/13/60/60/1195136060.db2.gz JKSSCCICYONLOM-LLVKDONJSA-N 0 0 313.344 3.382 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2CC[C@@H](O)c1ccccc1 ZINC001645147213 1195161019 /nfs/dbraw/zinc/16/10/19/1195161019.db2.gz BVTYVVLCCHJBAD-GOSISDBHSA-N 0 0 312.413 3.075 20 10 DGCDRN CC[C@@H](Cc1ccccc1C)C(=O)NCc1c(O)cccc1O ZINC001645362892 1195178103 /nfs/dbraw/zinc/17/81/03/1195178103.db2.gz DXLMWEFRULGOLV-AWEZNQCLSA-N 0 0 313.397 3.291 20 10 DGCDRN O=C(CCCn1cccc1)NCc1c(O)ccc2ccccc21 ZINC001645440997 1195184033 /nfs/dbraw/zinc/18/40/33/1195184033.db2.gz QRPFHTXDEWTLDO-UHFFFAOYSA-N 0 0 308.381 3.444 20 10 DGCDRN CCCC[C@@H](O)CCC(=O)NCc1c(O)ccc2ccccc21 ZINC001645442901 1195184498 /nfs/dbraw/zinc/18/44/98/1195184498.db2.gz DIPNEFJSNBDIOO-OAHLLOKOSA-N 0 0 315.413 3.493 20 10 DGCDRN O=C(/C=C\c1ccnc2ccccc12)NCc1c(O)cccc1F ZINC001646034143 1195211894 /nfs/dbraw/zinc/21/18/94/1195211894.db2.gz ICEHRNHZBMDHAE-HJWRWDBZSA-N 0 0 322.339 3.409 20 10 DGCDRN Cc1ccc(C(=O)NCc2c(O)cccc2O)cc1-n1cccc1 ZINC001647270351 1195247591 /nfs/dbraw/zinc/24/75/91/1195247591.db2.gz QKNHHBIQXANSKL-UHFFFAOYSA-N 0 0 322.364 3.127 20 10 DGCDRN Cc1cccc([C@@H](NC(=O)Cc2ccc(O)c(O)c2)C(C)C)c1 ZINC001648514041 1195305920 /nfs/dbraw/zinc/30/59/20/1195305920.db2.gz JBZIBNRSDHQONI-IBGZPJMESA-N 0 0 313.397 3.462 20 10 DGCDRN Cc1cc(CNC(=O)c2ccc[nH]c2=O)c(C)n1-c1ccccc1 ZINC001648612018 1195314140 /nfs/dbraw/zinc/31/41/40/1195314140.db2.gz UOIUOMHYSOJUCO-UHFFFAOYSA-N 0 0 321.380 3.125 20 10 DGCDRN CCn1ccnc1C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001648612237 1195314203 /nfs/dbraw/zinc/31/42/03/1195314203.db2.gz ZGCCBMWMNHFAEV-UHFFFAOYSA-N 0 0 322.412 3.241 20 10 DGCDRN Cc1cc(CNC(=O)CCCCCO)c(C)n1-c1ccccc1 ZINC001648611697 1195314365 /nfs/dbraw/zinc/31/43/65/1195314365.db2.gz MKRNITGORMVZCK-UHFFFAOYSA-N 0 0 314.429 3.263 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCC2(C1)OCCO2 ZINC001650860922 1195389639 /nfs/dbraw/zinc/38/96/39/1195389639.db2.gz LDTPSFUTIHWDFR-NSHDSACASA-N 0 0 318.200 3.084 20 10 DGCDRN CC(C)(C)CC[C@H](CO)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001651001549 1195402319 /nfs/dbraw/zinc/40/23/19/1195402319.db2.gz PEFDURBQBDVGNR-SNVBAGLBSA-N 0 0 303.805 3.462 20 10 DGCDRN COC(=O)/C=C/c1ccc(N2CC(C)(C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001651150984 1195419746 /nfs/dbraw/zinc/41/97/46/1195419746.db2.gz DPCMPZNMLLEZBO-WMADIVHISA-N 0 0 318.373 3.406 20 10 DGCDRN C[C@H](C(=O)NCc1cc(O)ccc1O)c1cc2ccccc2o1 ZINC001651225313 1195428957 /nfs/dbraw/zinc/42/89/57/1195428957.db2.gz FHVMZAZQYDUOGM-NSHDSACASA-N 0 0 311.337 3.264 20 10 DGCDRN O=[N+]([O-])c1ccc(N2Cc3cccc(O)c3C2)c2ccncc21 ZINC001651353220 1195448551 /nfs/dbraw/zinc/44/85/51/1195448551.db2.gz NDMMZNYBJIGGEZ-UHFFFAOYSA-N 0 0 307.309 3.369 20 10 DGCDRN CCCOc1ccnc(NCc2ccc(N3CCCC3)cc2)n1 ZINC001651362570 1195450451 /nfs/dbraw/zinc/45/04/51/1195450451.db2.gz FWZBSAOBPKSZQR-UHFFFAOYSA-N 0 0 312.417 3.478 20 10 DGCDRN C[S@](=O)[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001651646397 1195490514 /nfs/dbraw/zinc/49/05/14/1195490514.db2.gz KQUYEYVVDBXJHP-BFKGZMGPSA-N 0 0 322.257 3.088 20 10 DGCDRN COCC[N@H+](CCc1ccccc1)Cc1cc(F)cc(F)c1[O-] ZINC001651777044 1195507294 /nfs/dbraw/zinc/50/72/94/1195507294.db2.gz NTWSWSZFLGFNFF-UHFFFAOYSA-N 0 0 321.367 3.362 20 10 DGCDRN CC(C)CO[C@@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001651884064 1195520038 /nfs/dbraw/zinc/52/00/38/1195520038.db2.gz ZZUDXEYMRJYAQO-CQSZACIVSA-N 0 0 312.404 3.278 20 10 DGCDRN COC(=O)CC1([NH2+]Cc2cc(F)cc(F)c2[O-])CCCCC1 ZINC001652031924 1195539130 /nfs/dbraw/zinc/53/91/30/1195539130.db2.gz OOKNNGGBXLVOCZ-UHFFFAOYSA-N 0 0 313.344 3.026 20 10 DGCDRN Oc1cccc(O)c1CNc1cc(Cl)nc([C@H]2CCCO2)n1 ZINC001652267322 1195573498 /nfs/dbraw/zinc/57/34/98/1195573498.db2.gz NRRVMNHCXCOGTD-GFCCVEGCSA-N 0 0 321.764 3.005 20 10 DGCDRN COc1cc(C)c(C[NH2+]C[C@H](O)c2cc(C)cc(C)c2)c(O)c1 ZINC001652279231 1195574436 /nfs/dbraw/zinc/57/44/36/1195574436.db2.gz XDKGDYDTIWQANB-IBGZPJMESA-N 0 0 315.413 3.149 20 10 DGCDRN CC(C)(Oc1ccc(F)cc1)C(=O)NCc1c(O)cccc1F ZINC001652296012 1195577447 /nfs/dbraw/zinc/57/74/47/1195577447.db2.gz ZPHQUVNHEZIHJS-UHFFFAOYSA-N 0 0 321.323 3.144 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC001652298746 1195577875 /nfs/dbraw/zinc/57/78/75/1195577875.db2.gz PSWUIFBTXYEJHX-VHSXEESVSA-N 0 0 321.298 3.229 20 10 DGCDRN CN(C)c1ncccc1C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001652407053 1195593681 /nfs/dbraw/zinc/59/36/81/1195593681.db2.gz IHYDGJGGWUREQU-UHFFFAOYSA-N 0 0 324.472 3.380 20 10 DGCDRN C[N@H+](Cc1ccc(Cl)cc1O)C[C@](C)(O)c1ccccc1 ZINC001652703970 1195638297 /nfs/dbraw/zinc/63/82/97/1195638297.db2.gz DAIYSCITAAHRBG-KRWDZBQOSA-N 0 0 305.805 3.385 20 10 DGCDRN Cc1ccc(C(=O)NCc2c(O)ccc3ccccc32)cc1O ZINC001652706152 1195638514 /nfs/dbraw/zinc/63/85/14/1195638514.db2.gz WTVSCEYBXMFFQE-UHFFFAOYSA-N 0 0 307.349 3.489 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cccc2[nH]cnc21 ZINC001652705391 1195638779 /nfs/dbraw/zinc/63/87/79/1195638779.db2.gz CQZCJSHSPGQGJP-UHFFFAOYSA-N 0 0 317.348 3.352 20 10 DGCDRN Nc1cc(F)ccc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001652709289 1195639560 /nfs/dbraw/zinc/63/95/60/1195639560.db2.gz YMAFTSQFAAQTRY-UHFFFAOYSA-N 0 0 310.328 3.197 20 10 DGCDRN COC(=O)c1cnc(SCc2ccc(Cl)cn2)s1 ZINC001652854246 1195661322 /nfs/dbraw/zinc/66/13/22/1195661322.db2.gz YFWWNVKVABAVSW-UHFFFAOYSA-N 0 0 300.792 3.270 20 10 DGCDRN Cc1cc(C(=O)Cn2ccnc2[N+](=O)[O-])c(C)n1-c1ccccc1 ZINC001653021630 1195681009 /nfs/dbraw/zinc/68/10/09/1195681009.db2.gz KJGCGHMQGGSRAS-UHFFFAOYSA-N 0 0 324.340 3.082 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN[C@@H](CO)c1cc(F)ccc1F ZINC001653249383 1195703139 /nfs/dbraw/zinc/70/31/39/1195703139.db2.gz MJVQNLWUYANRQI-SFHVURJKSA-N 0 0 320.383 3.162 20 10 DGCDRN CCNc1nc(CN[C@@H](C)c2ccc(N(C)C)cc2)cs1 ZINC001653343287 1195712348 /nfs/dbraw/zinc/71/23/48/1195712348.db2.gz QXRIVHBZOAJKDD-LBPRGKRZSA-N 0 0 304.463 3.492 20 10 DGCDRN O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1c(F)ccc(O)c1O ZINC001654526295 1195813424 /nfs/dbraw/zinc/81/34/24/1195813424.db2.gz PQAFQKWIZCGIKD-CMPLNLGQSA-N 0 0 321.735 3.176 20 10 DGCDRN CCOC(=O)/C=C/CN(C)c1ccc(-c2nccs2)cc1 ZINC001654678902 1195829519 /nfs/dbraw/zinc/82/95/19/1195829519.db2.gz NLLMTZXMXXZBIN-SNAWJCMRSA-N 0 0 302.399 3.366 20 10 DGCDRN CC(C)COC(=O)CN(C)c1ccc(-c2nccs2)cc1 ZINC001654679003 1195830051 /nfs/dbraw/zinc/83/00/51/1195830051.db2.gz QFHRXGMDBDPVQN-UHFFFAOYSA-N 0 0 304.415 3.446 20 10 DGCDRN CCN(C)c1ccc(CN2Cc3ccccc3NC(=O)[C@H]2C)cc1 ZINC001655029664 1195867374 /nfs/dbraw/zinc/86/73/74/1195867374.db2.gz HBZXCCORLFMZAN-OAHLLOKOSA-N 0 0 323.440 3.486 20 10 DGCDRN Cc1cc(CN[C@@H](CO)c2cc(F)ccc2F)ccc1N(C)C ZINC001655092840 1195875565 /nfs/dbraw/zinc/87/55/65/1195875565.db2.gz NKRHGAMPRMKIPH-KRWDZBQOSA-N 0 0 320.383 3.162 20 10 DGCDRN Oc1c(F)cc(Cl)cc1CNc1ccn(CC(F)F)n1 ZINC001655914741 1195977051 /nfs/dbraw/zinc/97/70/51/1195977051.db2.gz QDAXEWCMBNQDIH-UHFFFAOYSA-N 0 0 305.687 3.258 20 10 DGCDRN COc1cccc2c1CC[C@@H]2[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001656773107 1196070182 /nfs/dbraw/zinc/07/01/82/1196070182.db2.gz LJIBZMKBGWGQMX-HNNXBMFYSA-N 0 0 314.341 3.086 20 10 DGCDRN CCc1cccnc1NCc1ccc(N2CCOCC2)c(F)c1 ZINC001656975033 1196088469 /nfs/dbraw/zinc/08/84/69/1196088469.db2.gz KGKMLPVMXAFWJR-UHFFFAOYSA-N 0 0 315.392 3.232 20 10 DGCDRN O=C1CCN1c1ccc(NCc2cc(F)cc(F)c2O)cc1 ZINC001657269944 1196125857 /nfs/dbraw/zinc/12/58/57/1196125857.db2.gz MLMLZZNAASAYBW-UHFFFAOYSA-N 0 0 304.296 3.019 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC001657470284 1196146653 /nfs/dbraw/zinc/14/66/53/1196146653.db2.gz GIEYARZZMSTRLT-QGZVFWFLSA-N 0 0 319.351 3.152 20 10 DGCDRN Oc1c(F)cc(F)cc1CNc1cccnc1OCC(F)F ZINC001657590720 1196158024 /nfs/dbraw/zinc/15/80/24/1196158024.db2.gz FJZDPRCOBSQQDU-UHFFFAOYSA-N 0 0 316.254 3.321 20 10 DGCDRN Cc1noc([C@@H](NCc2ccc3c(c2)CCCO3)C(C)C)n1 ZINC001658193653 1196223907 /nfs/dbraw/zinc/22/39/07/1196223907.db2.gz KTTSJNCJULRPFR-INIZCTEOSA-N 0 0 301.390 3.190 20 10 DGCDRN CC(C)Oc1cc(C(N)=O)ccc1NCc1cc(F)ccc1O ZINC001658370974 1196247725 /nfs/dbraw/zinc/24/77/25/1196247725.db2.gz MNDJRWRBRLHXRL-UHFFFAOYSA-N 0 0 318.348 3.030 20 10 DGCDRN COC(=O)[C@@H](CC(C)(C)C)NCc1cc(Cl)c(C)cc1O ZINC001658417755 1196254422 /nfs/dbraw/zinc/25/44/22/1196254422.db2.gz AQAIODFYMAIPFY-CYBMUJFWSA-N 0 0 313.825 3.421 20 10 DGCDRN COc1ccc(N(C)Cc2ccc3c(c2)sc(=O)n3C)cc1 ZINC001658491277 1196264850 /nfs/dbraw/zinc/26/48/50/1196264850.db2.gz RRKQFOAOZOVYNA-UHFFFAOYSA-N 0 0 314.410 3.245 20 10 DGCDRN CC(=O)N(C)c1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC001658576423 1196275304 /nfs/dbraw/zinc/27/53/04/1196275304.db2.gz XSSTUHFHSQMMLU-UHFFFAOYSA-N 0 0 318.804 3.318 20 10 DGCDRN CCOC(=O)[C@@H](NCc1cc(Cl)c(C)cc1O)C(C)(C)C ZINC001658760502 1196296398 /nfs/dbraw/zinc/29/63/98/1196296398.db2.gz XXJHJZFHKMXDBN-CQSZACIVSA-N 0 0 313.825 3.421 20 10 DGCDRN COc1ccc(N(C)C[C@H]2C[C@]2(C)Br)cc1F ZINC001658806574 1196303896 /nfs/dbraw/zinc/30/38/96/1196303896.db2.gz AQFIQHDMBQZCIG-RNCFNFMXSA-N 0 0 302.187 3.444 20 10 DGCDRN COc1cc(C)c(C[N@H+](C)Cc2cc(Cl)cn2C)c(O)c1 ZINC001658911694 1196318036 /nfs/dbraw/zinc/31/80/36/1196318036.db2.gz PVPHKLGYWJTUKM-UHFFFAOYSA-N 0 0 308.809 3.333 20 10 DGCDRN COc1ccc(N(C)CCN(C)C/C(Cl)=C\Cl)cc1 ZINC001659280586 1196366705 /nfs/dbraw/zinc/36/67/05/1196366705.db2.gz GPYGYCDLHMTUOV-ZRDIBKRKSA-N 0 0 303.233 3.382 20 10 DGCDRN CC[C@H](C)C[C@H](NCc1cc(Cl)c(C)cc1O)C(=O)OC ZINC001659531602 1196393177 /nfs/dbraw/zinc/39/31/77/1196393177.db2.gz HZGXGZYRUKLVJY-HZMBPMFUSA-N 0 0 313.825 3.421 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[NH2+]C2([C@@H]3CCCO3)CCC2)c1[O-] ZINC001660641181 1196507850 /nfs/dbraw/zinc/50/78/50/1196507850.db2.gz GKXZJPFSBFXBKQ-HNNXBMFYSA-N 0 0 323.820 3.440 20 10 DGCDRN Cn1cc(-c2ccc(C[NH2+]Cc3c([O-])cccc3F)s2)cn1 ZINC001660741814 1196517790 /nfs/dbraw/zinc/51/77/90/1196517790.db2.gz CDUHSYAJFLBHEH-UHFFFAOYSA-N 0 0 317.389 3.283 20 10 DGCDRN C[C@]1([NH2+]Cc2cc(F)c(F)cc2[O-])CCOc2ccccc21 ZINC001660766389 1196521630 /nfs/dbraw/zinc/52/16/30/1196521630.db2.gz KSBLNSMVAHEXTG-KRWDZBQOSA-N 0 0 305.324 3.458 20 10 DGCDRN C[C@@H]1CCCN(CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001660915611 1196541550 /nfs/dbraw/zinc/54/15/50/1196541550.db2.gz IKIKSBPBCYRRRO-LLVKDONJSA-N 0 0 300.805 3.006 20 10 DGCDRN C[C@H]1CCC[C@](C[NH2+]Cc2cc(F)cc(F)c2[O-])(N(C)C)C1 ZINC001661084464 1196563410 /nfs/dbraw/zinc/56/34/10/1196563410.db2.gz WDHRJTIBOUDSGC-SJCJKPOMSA-N 0 0 312.404 3.271 20 10 DGCDRN Cc1ccnc(C)c1NC(=O)NCc1cc(Cl)ccc1O ZINC001661550251 1196618392 /nfs/dbraw/zinc/61/83/92/1196618392.db2.gz SCKWGQSAHBGTGF-UHFFFAOYSA-N 0 0 305.765 3.379 20 10 DGCDRN Cc1cc(O)c(CNc2ccc3oc(=O)n(C)c3c2)c(Cl)c1 ZINC001661779291 1196643905 /nfs/dbraw/zinc/64/39/05/1196643905.db2.gz ARAKQVNKVRVMNE-UHFFFAOYSA-N 0 0 318.760 3.411 20 10 DGCDRN CSc1cccnc1NC(=O)N[C@@H](C)c1ccccc1O ZINC001663216458 1196814035 /nfs/dbraw/zinc/81/40/35/1196814035.db2.gz PMRDFPRJYQYFOI-JTQLQIEISA-N 0 0 303.387 3.392 20 10 DGCDRN Nc1ncccc1CN(Cc1ccco1)Cc1ccccc1O ZINC001663525334 1196895492 /nfs/dbraw/zinc/89/54/92/1196895492.db2.gz KGDTTYXJLNMILV-UHFFFAOYSA-N 0 0 309.369 3.165 20 10 DGCDRN CCOC(=O)[C@@H](NC/C=C\c1ccc(N(C)C)cc1)C(C)(C)C ZINC001664195248 1196979469 /nfs/dbraw/zinc/97/94/69/1196979469.db2.gz ZJQQRXWSVISHAO-XZVRFQMRSA-N 0 0 318.461 3.333 20 10 DGCDRN C[C@@H]1COc2ccccc2CN1Cc1ccc(F)c(F)c1[O-] ZINC001664270239 1196985239 /nfs/dbraw/zinc/98/52/39/1196985239.db2.gz PJQHCTYWGGGGEO-LLVKDONJSA-N 0 0 305.324 3.454 20 10 DGCDRN O=C1CCN1c1ccc(NCc2cc(F)c(F)cc2O)cc1 ZINC001664480079 1197005061 /nfs/dbraw/zinc/00/50/61/1197005061.db2.gz YFPGQJVDOGLLRA-UHFFFAOYSA-N 0 0 304.296 3.019 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OS(=O)(=O)c3cscn3)cc12 ZINC001664507172 1197008615 /nfs/dbraw/zinc/00/86/15/1197008615.db2.gz NGHKKZCATLVKIT-UHFFFAOYSA-N 0 0 322.411 3.019 20 10 DGCDRN CC(C)n1cc(CN(C)Cc2ccc(N3CCCC3)cc2)nn1 ZINC001664627027 1197023657 /nfs/dbraw/zinc/02/36/57/1197023657.db2.gz KBFKGOFVXDMKIB-UHFFFAOYSA-N 0 0 313.449 3.091 20 10 DGCDRN CC(=O)c1cccc(NC(=O)NCc2c(O)cccc2F)c1 ZINC001665029825 1197089634 /nfs/dbraw/zinc/08/96/34/1197089634.db2.gz ZJDQPIDOQOSNTF-UHFFFAOYSA-N 0 0 302.305 3.056 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC001665645831 1197164448 /nfs/dbraw/zinc/16/44/48/1197164448.db2.gz TWDVOYJAFQTSMC-UHFFFAOYSA-N 0 0 313.800 3.360 20 10 DGCDRN CC(C)C1(O)CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC001665901394 1197213960 /nfs/dbraw/zinc/21/39/60/1197213960.db2.gz PFWPTVPGRHXCAZ-UHFFFAOYSA-N 0 0 301.789 3.168 20 10 DGCDRN Cc1cc(CNC(=O)Nc2cnn(C)c2)c(C)n1-c1ccccc1 ZINC001667736306 1197383853 /nfs/dbraw/zinc/38/38/53/1197383853.db2.gz CFDSQJWXHDYYGD-UHFFFAOYSA-N 0 0 323.400 3.149 20 10 DGCDRN COc1cccc(NC(=O)NCc2cc(C)ccc2O)c1F ZINC001669152637 1197442477 /nfs/dbraw/zinc/44/24/77/1197442477.db2.gz GZXUEGBPVZFAAZ-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN CSc1ccc(NC(=O)N2Cc3cccc(O)c3C2)nc1 ZINC001670130503 1197522077 /nfs/dbraw/zinc/52/20/77/1197522077.db2.gz GSEQEPSZGSVIRF-UHFFFAOYSA-N 0 0 301.371 3.057 20 10 DGCDRN C[C@@H](NC(=O)Nc1nccn1-c1ccccc1)c1ccccc1O ZINC001671573707 1197549855 /nfs/dbraw/zinc/54/98/55/1197549855.db2.gz NKELNMGETKWTQC-CYBMUJFWSA-N 0 0 322.368 3.461 20 10 DGCDRN CCC1(NC(=O)Nc2c(-c3ccccn3)nc3ccccn32)CC1 ZINC001672446208 1197612168 /nfs/dbraw/zinc/61/21/68/1197612168.db2.gz ZPKRSDQJVLKJOW-UHFFFAOYSA-N 0 0 321.384 3.460 20 10 DGCDRN COCc1cccc(NC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001672909546 1197627905 /nfs/dbraw/zinc/62/79/05/1197627905.db2.gz LJJQEDLUZDQAAQ-LBPRGKRZSA-N 0 0 300.358 3.421 20 10 DGCDRN C[C@@H]1Cc2cc(NC(=O)NCc3c(O)cccc3F)ccc2O1 ZINC001673328057 1197649492 /nfs/dbraw/zinc/64/94/92/1197649492.db2.gz UVYVELIFRZRTIT-SNVBAGLBSA-N 0 0 316.332 3.176 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CC[C@H](C)C1 ZINC001673745512 1197689249 /nfs/dbraw/zinc/68/92/49/1197689249.db2.gz VPBGJFBUOPFBBV-JLJPHGGASA-N 0 0 317.477 3.480 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CC12CCC2 ZINC001675794261 1198142178 /nfs/dbraw/zinc/14/21/78/1198142178.db2.gz LTYQJDRJFSSYNJ-INIZCTEOSA-N 0 0 300.402 3.013 20 10 DGCDRN O=C(NCC[C@@H]1CC[C@@H]2C[C@@H]21)NCc1cccc(Cl)c1O ZINC001676091124 1198225136 /nfs/dbraw/zinc/22/51/36/1198225136.db2.gz BLHOXLSBWJFEPM-DMDPSCGWSA-N 0 0 308.809 3.281 20 10 DGCDRN CCc1cccc(CNC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC001676944078 1198441068 /nfs/dbraw/zinc/44/10/68/1198441068.db2.gz YBKWBNOZNZYHLI-UHFFFAOYSA-N 0 0 311.429 3.314 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC(C)(C)CSC)cc1 ZINC001677039038 1198468951 /nfs/dbraw/zinc/46/89/51/1198468951.db2.gz AUAFHQMKSNZVOG-UHFFFAOYSA-N 0 0 323.506 3.474 20 10 DGCDRN Cc1ccc([C@H](C)NC(=O)NCc2c(O)cccc2F)cc1 ZINC001677390700 1198527186 /nfs/dbraw/zinc/52/71/86/1198527186.db2.gz DIJKCQZLKUMYQA-LBPRGKRZSA-N 0 0 302.349 3.400 20 10 DGCDRN Cc1ccc(CCNC(=O)NCc2c(O)cccc2F)c(C)c1 ZINC001677830707 1198592211 /nfs/dbraw/zinc/59/22/11/1198592211.db2.gz VEKPDMYBODNHLN-UHFFFAOYSA-N 0 0 316.376 3.190 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)NC/C=C\Cl)cc2)CC1 ZINC001678783691 1198727869 /nfs/dbraw/zinc/72/78/69/1198727869.db2.gz WVSLRSMBULWKTA-MBXJOHMKSA-N 0 0 321.852 3.475 20 10 DGCDRN CCC1(CC)[C@H](NC(=O)NCc2cc(C)ccc2O)C[C@@H]1OC ZINC001680882766 1198921699 /nfs/dbraw/zinc/92/16/99/1198921699.db2.gz SIAGCMHQFXEBSP-CVEARBPZSA-N 0 0 320.433 3.094 20 10 DGCDRN CC(C)O[C@H]1C[C@H](NC(=O)N[C@H](C)c2ccccc2O)C1(C)C ZINC001681359721 1198992223 /nfs/dbraw/zinc/99/22/23/1198992223.db2.gz SRCZIGICWKOSAW-KCXAZCMYSA-N 0 0 320.433 3.345 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H]1CCC1(C)C ZINC001682421458 1199159350 /nfs/dbraw/zinc/15/93/50/1199159350.db2.gz LXFILRKCTKEKIC-RHSMWYFYSA-N 0 0 317.477 3.480 20 10 DGCDRN C[C@@H](NC(=O)NCCc1ccccc1F)c1ccccc1O ZINC001682625720 1199179063 /nfs/dbraw/zinc/17/90/63/1199179063.db2.gz OXBUBUJGKFVGTN-GFCCVEGCSA-N 0 0 302.349 3.134 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)cc1F ZINC001683336882 1199261793 /nfs/dbraw/zinc/26/17/93/1199261793.db2.gz SELQPERJVMGGDX-SOUVJXGZSA-N 0 0 319.424 3.127 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NCCCCC2CC2)cc1 ZINC001683418578 1199269658 /nfs/dbraw/zinc/26/96/58/1199269658.db2.gz VXRRGUALTJVHOL-UHFFFAOYSA-N 0 0 303.450 3.474 20 10 DGCDRN Cc1ccccc1[C@@H]1C[C@H]1NC(=O)NCc1c(O)cccc1F ZINC001683822518 1199309608 /nfs/dbraw/zinc/30/96/08/1199309608.db2.gz QLXIXNXVZAKYQW-XJKSGUPXSA-N 0 0 314.360 3.195 20 10 DGCDRN O=C(NCc1cccc2[nH]ccc21)NCc1c(O)cccc1F ZINC001684797385 1199415626 /nfs/dbraw/zinc/41/56/26/1199415626.db2.gz TWAIQFKWCQXCHZ-UHFFFAOYSA-N 0 0 313.332 3.012 20 10 DGCDRN C[C@@H](NC(=O)NCc1cc(O)ccc1Cl)c1ccccc1O ZINC001684984622 1199431288 /nfs/dbraw/zinc/43/12/88/1199431288.db2.gz KUDXKGYVJWREJH-SNVBAGLBSA-N 0 0 320.776 3.312 20 10 DGCDRN Nc1ccc(Cc2nc(-c3cc(F)c(F)c(F)c3)no2)cc1 ZINC000314777849 1199795446 /nfs/dbraw/zinc/79/54/46/1199795446.db2.gz AYMMNERRGXRNCM-UHFFFAOYSA-N 0 0 305.259 3.327 20 10 DGCDRN Cc1cc(C(=O)NCc2nc(C)c(C)o2)c(C)n1-c1ccccn1 ZINC000119582724 1200089677 /nfs/dbraw/zinc/08/96/77/1200089677.db2.gz NLSSYSPGJAKNRR-UHFFFAOYSA-N 0 0 324.384 3.024 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Nc1ccc(C(C)(C)C)nn1 ZINC000152587556 1202594649 /nfs/dbraw/zinc/59/46/49/1202594649.db2.gz RTBAMUGASSGCOO-UHFFFAOYSA-N 0 0 314.389 3.144 20 10 DGCDRN COc1ccccc1-c1noc(/C=C/c2ccc(O)c(O)c2)n1 ZINC000185185278 1202843780 /nfs/dbraw/zinc/84/37/80/1202843780.db2.gz OQFMBOVSRSGUQA-VQHVLOKHSA-N 0 0 310.309 3.327 20 10 DGCDRN COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(O)cc1C ZINC000244329692 1203611496 /nfs/dbraw/zinc/61/14/96/1203611496.db2.gz XNGBEBQPVGSJBR-UHFFFAOYSA-N 0 0 321.398 3.127 20 10 DGCDRN COc1cccc(CNC(=O)N[C@@H](C)c2cc(C)oc2C)c1O ZINC000174397610 1203900084 /nfs/dbraw/zinc/90/00/84/1203900084.db2.gz LBELJAGDYZXCLA-NSHDSACASA-N 0 0 318.373 3.171 20 10 DGCDRN Cc1cc(C[N@H+](C)CCCC(=O)[O-])ccc1N1CCCCC1 ZINC001605166165 972867820 /nfs/dbraw/zinc/86/78/20/972867820.db2.gz WNAIYJRNLGYJCS-UHFFFAOYSA-N 0 0 304.434 3.282 20 10 DGCDRN CC(C)c1ccc(O)c(C[NH2+][C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC001591974087 976585090 /nfs/dbraw/zinc/58/50/90/976585090.db2.gz MTCUCSFSVCSWIQ-QGZVFWFLSA-N 0 0 313.397 3.301 20 10 DGCDRN C[C@@](CC(=O)[O-])([NH2+]Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001592328292 977746510 /nfs/dbraw/zinc/74/65/10/977746510.db2.gz KOAJWMJHNGJLRL-SFHVURJKSA-N 0 0 302.418 3.020 20 10 DGCDRN CC(F)(F)CCC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001592939121 980003795 /nfs/dbraw/zinc/00/37/95/980003795.db2.gz MXDUPORECJNKRD-UHFFFAOYSA-N 0 0 321.751 3.368 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cccc(OCC(=O)[O-])c1)c1ccccc1O ZINC001595304852 980440644 /nfs/dbraw/zinc/44/06/44/980440644.db2.gz JKDRBIDXTZOASP-MRXNPFEDSA-N 0 0 315.369 3.097 20 10 DGCDRN CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCC(CC(=O)[O-])CC2)c1 ZINC001590462396 990033903 /nfs/dbraw/zinc/03/39/03/990033903.db2.gz VGSFBYGFOFSPIZ-UHFFFAOYSA-N 0 0 321.417 3.082 20 10 DGCDRN CN(C)c1ccc(C[NH2+]Cc2c3ccccc3[nH]c2C(=O)[O-])cc1 ZINC001598320381 991316152 /nfs/dbraw/zinc/31/61/52/991316152.db2.gz BCTSSNCFCKKFNT-UHFFFAOYSA-N 0 0 323.396 3.222 20 10 DGCDRN C[C@@H]([NH2+][C@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC001593196122 994153230 /nfs/dbraw/zinc/15/32/30/994153230.db2.gz UPSFOMBRINCKIB-PXAZEXFGSA-N 0 0 316.376 3.368 20 10 DGCDRN C[C@H]([NH2+][C@H]1C[C@@H]1Cc1ccccc1)c1cc(C(=O)[O-])ccc1O ZINC001593218480 994286455 /nfs/dbraw/zinc/28/64/55/994286455.db2.gz GKFHVWOFOPTABV-NUTKFTJISA-N 0 0 311.381 3.372 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1cc(C(=O)[O-])ccc1O ZINC001593234433 994402314 /nfs/dbraw/zinc/40/23/14/994402314.db2.gz ZZOUCERNYWKKEK-HWPZZCPQSA-N 0 0 312.369 3.011 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CC12CCSCC2)c1cc(C(=O)[O-])ccc1O ZINC001593252043 994502089 /nfs/dbraw/zinc/50/20/89/994502089.db2.gz MNLSEOIZVSQRDQ-WCQYABFASA-N 0 0 321.442 3.274 20 10 DGCDRN C[C@@H]([NH2+]CCCNc1ccccc1)c1cc(C(=O)[O-])ccc1O ZINC001593267129 994586342 /nfs/dbraw/zinc/58/63/42/994586342.db2.gz LJLAUIYTZBKOMC-CYBMUJFWSA-N 0 0 314.385 3.243 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccccc1O[C@@H](C)C(=O)[O-])c1ccccc1O ZINC001593647929 995994727 /nfs/dbraw/zinc/99/47/27/995994727.db2.gz DWIKOTIZDVHQGA-OLZOCXBDSA-N 0 0 315.369 3.095 20 10 DGCDRN C[C@H]1CC[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C[C@H]1C ZINC001594422535 999575087 /nfs/dbraw/zinc/57/50/87/999575087.db2.gz GHQQLBGYIZSYKE-NWDGAFQWSA-N 0 0 318.392 3.494 20 10 DGCDRN Oc1ccc(CNc2cc3c(nn2)-c2ccccc2OC3)cc1O ZINC001169992301 1081795472 /nfs/dbraw/zinc/79/54/72/1081795472.db2.gz BJYXTSLIUQBPHH-UHFFFAOYSA-N 0 0 321.336 3.059 20 10 DGCDRN CCOC(=O)c1c(F)cc(NCc2ccc(O)c(O)c2)cc1F ZINC001169997338 1081822935 /nfs/dbraw/zinc/82/29/35/1081822935.db2.gz ZRSWBCJYUPNUHF-UHFFFAOYSA-N 0 0 323.295 3.165 20 10 DGCDRN CCOc1cc(NCc2ccc(O)c(O)c2)ccc1[N+](=O)[O-] ZINC001169997347 1081823018 /nfs/dbraw/zinc/82/30/18/1081823018.db2.gz ZXCJRUFWCBUOSH-UHFFFAOYSA-N 0 0 304.302 3.017 20 10 DGCDRN COc1c(Cl)nc(C)nc1N(C)Cc1ccc(N(C)C)cc1 ZINC001156924259 1081925647 /nfs/dbraw/zinc/92/56/47/1081925647.db2.gz UBCULDAWFPOXJR-UHFFFAOYSA-N 0 0 320.824 3.149 20 10 DGCDRN C[C@@H](NC(=O)[C@H](c1ccccc1)n1cccn1)c1ccccc1O ZINC001648889747 1081953854 /nfs/dbraw/zinc/95/38/54/1081953854.db2.gz JZPJMRDTFBPEQK-KDOFPFPSSA-N 0 0 321.380 3.056 20 10 DGCDRN COc1cccc(C(F)(F)C(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001648894280 1081955246 /nfs/dbraw/zinc/95/52/46/1081955246.db2.gz KBKDRMFLWGODQQ-NSHDSACASA-N 0 0 321.323 3.370 20 10 DGCDRN COc1cccc(Nc2ccccc2C(=O)c2ccncc2)n1 ZINC001211304544 1082112044 /nfs/dbraw/zinc/11/20/44/1082112044.db2.gz QKNZJRGHWAZEOI-UHFFFAOYSA-N 0 0 305.337 3.460 20 10 DGCDRN Cc1ccnn1C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC001140342618 1082146802 /nfs/dbraw/zinc/14/68/02/1082146802.db2.gz QXQHQEGICCOLGX-UHFFFAOYSA-N 0 0 305.809 3.388 20 10 DGCDRN C[C@H](c1cccs1)N(C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403556 1082147365 /nfs/dbraw/zinc/14/73/65/1082147365.db2.gz PEPOGYSJZVFRFP-BPOWMSRESA-N 0 0 303.383 3.392 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CCCc2ccccc21 ZINC000588403777 1082147459 /nfs/dbraw/zinc/14/74/59/1082147459.db2.gz ZASIVRACVUGVIF-SLWQEBJJSA-N 0 0 323.392 3.347 20 10 DGCDRN CCN(Cc1ccccc1C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588405360 1082149904 /nfs/dbraw/zinc/14/99/04/1082149904.db2.gz FZKARKHMIMRJJM-LUAWRHEFSA-N 0 0 311.381 3.468 20 10 DGCDRN CCOc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1F ZINC000588405728 1082151896 /nfs/dbraw/zinc/15/18/96/1082151896.db2.gz QFHILUSMLRSUQA-YWEYNIOJSA-N 0 0 317.316 3.288 20 10 DGCDRN CCC(=O)c1cccc(NC(=O)C=Cc2ccc(O)c(O)c2)c1 ZINC000588407231 1082155159 /nfs/dbraw/zinc/15/51/59/1082155159.db2.gz BMFQJTLSLAHLOV-CLFYSBASSA-N 0 0 311.337 3.342 20 10 DGCDRN C/C(=C\c1ccco1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001125534119 1082237029 /nfs/dbraw/zinc/23/70/29/1082237029.db2.gz CLVXFUCMFFTPEB-FMIVXFBMSA-N 0 0 302.349 3.204 20 10 DGCDRN CO[C@]1(C)C[C@@H]([N@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])C1(C)C ZINC001167491004 1082287126 /nfs/dbraw/zinc/28/71/26/1082287126.db2.gz KJKUOQXQQGBWBY-CRAIPNDOSA-N 0 0 323.408 3.369 20 10 DGCDRN Cc1ccc2cccc(NCC(=O)c3ccc(O)c(O)c3)c2n1 ZINC001170316431 1082344766 /nfs/dbraw/zinc/34/47/66/1082344766.db2.gz QYCFWYREJQHXHB-UHFFFAOYSA-N 0 0 308.337 3.249 20 10 DGCDRN Cc1cc(Cl)nc(C)c1NCC(=O)c1ccc(O)c(O)c1 ZINC001170322124 1082346284 /nfs/dbraw/zinc/34/62/84/1082346284.db2.gz FLOYQKAOZOWUFR-UHFFFAOYSA-N 0 0 306.749 3.058 20 10 DGCDRN Cc1ncsc1/C=C\C(=O)N1CCN(C)c2ccc(F)cc21 ZINC000588519079 1082539436 /nfs/dbraw/zinc/53/94/36/1082539436.db2.gz BZMAYAXOIKCYMZ-WAYWQWQTSA-N 0 0 317.389 3.087 20 10 DGCDRN Cc1ccc(NC(=O)NCc2ccc(O)c(O)c2)cc1Cl ZINC000174373069 1082783902 /nfs/dbraw/zinc/78/39/02/1082783902.db2.gz WUIPENCCAQCQJN-UHFFFAOYSA-N 0 0 306.749 3.381 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000588404412 1083161097 /nfs/dbraw/zinc/16/10/97/1083161097.db2.gz QFAZUAJTHBSENZ-WAPJZHGLSA-N 0 0 321.336 3.140 20 10 DGCDRN C/C=C\C[C@@H](NCc1cc(Cl)c(C)cc1O)C(=O)OCC ZINC001181457988 1083470439 /nfs/dbraw/zinc/47/04/39/1083470439.db2.gz SNRLGQZPEZWUBW-KXQLTZBTSA-N 0 0 311.809 3.342 20 10 DGCDRN Cc1cc(C)c(NC(=O)NCc2ccc(O)c(O)c2)c(C)c1 ZINC001182047375 1083610728 /nfs/dbraw/zinc/61/07/28/1083610728.db2.gz HMASPPOGUSAUMC-UHFFFAOYSA-N 0 0 300.358 3.345 20 10 DGCDRN C[C@H](C[N@H+](C)Cc1cc(F)cc(F)c1[O-])C(=O)OC(C)(C)C ZINC001182239500 1083659621 /nfs/dbraw/zinc/65/96/21/1083659621.db2.gz ZPJQVLJIRYLSSZ-SNVBAGLBSA-N 0 0 315.360 3.080 20 10 DGCDRN COc1cc(C)c(C[NH+]2CCC([C@@H]3CCCCO3)CC2)c(O)c1 ZINC001182917828 1083841367 /nfs/dbraw/zinc/84/13/67/1083841367.db2.gz CMLQHPIWLKXAQU-IBGZPJMESA-N 0 0 319.445 3.490 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]C1CC(Nc2ccccc2)C1 ZINC001183686298 1083998007 /nfs/dbraw/zinc/99/80/07/1083998007.db2.gz QSSLETRBDPNXJT-UHFFFAOYSA-N 0 0 304.340 3.403 20 10 DGCDRN C[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@H]1O ZINC001203574487 1083999874 /nfs/dbraw/zinc/99/98/74/1083999874.db2.gz YEYMGQDYJYDBCN-TVQRCGJNSA-N 0 0 304.217 3.292 20 10 DGCDRN Cc1ccc2ncc(C(=O)N[C@@H](C)c3ccccc3O)c(O)c2c1 ZINC001184141209 1084105952 /nfs/dbraw/zinc/10/59/52/1084105952.db2.gz PQPCQCIKKGKQOB-LBPRGKRZSA-N 0 0 322.364 3.033 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)C(=O)CC(C)C ZINC001184331886 1084161797 /nfs/dbraw/zinc/16/17/97/1084161797.db2.gz DULAWKZURGTLHM-KRWDZBQOSA-N 0 0 317.429 3.364 20 10 DGCDRN CC(=O)[C@@H](C)CC(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001184346700 1084166004 /nfs/dbraw/zinc/16/60/04/1084166004.db2.gz FBPZRVIMZGRPMJ-YPMLDQLKSA-N 0 0 317.429 3.364 20 10 DGCDRN COc1ccc(NC(=O)c2cccc(O)c2O)cc1SC ZINC001299169103 1084342279 /nfs/dbraw/zinc/34/22/79/1084342279.db2.gz ZECLQPKHPSNJJJ-UHFFFAOYSA-N 0 0 305.355 3.081 20 10 DGCDRN Cc1cc(S(=O)(=O)Nc2ccc(O)cc2F)ccc1Cl ZINC001185521368 1084462962 /nfs/dbraw/zinc/46/29/62/1084462962.db2.gz SASTUEYRUKGSKI-UHFFFAOYSA-N 0 0 315.753 3.294 20 10 DGCDRN Cc1cc(C(=O)N2CCc3cccc(O)c3C2)c(F)cc1F ZINC001186377114 1084643709 /nfs/dbraw/zinc/64/37/09/1084643709.db2.gz VCOQXWVKAKHSGA-UHFFFAOYSA-N 0 0 303.308 3.177 20 10 DGCDRN CO/C=C/c1ccc(NCCc2cc(O)c(O)cc2O)cc1 ZINC001168013032 1086248945 /nfs/dbraw/zinc/24/89/45/1086248945.db2.gz AOMMDDZTFQXQNQ-VQHVLOKHSA-N 0 0 301.342 3.075 20 10 DGCDRN COc1ccc2c(c1)CCCCN2Cc1cccnc1[N+](=O)[O-] ZINC001168244981 1087070915 /nfs/dbraw/zinc/07/09/15/1087070915.db2.gz WFHAAXOFVIWCCB-UHFFFAOYSA-N 0 0 313.357 3.341 20 10 DGCDRN Cc1cccc(N2CC[NH+](Cc3cc(F)c(F)cc3[O-])CC2)c1 ZINC001142508790 1087274311 /nfs/dbraw/zinc/27/43/11/1087274311.db2.gz LOQXLKAIQRLLCZ-UHFFFAOYSA-N 0 0 318.367 3.301 20 10 DGCDRN Cc1cccc2c(CCC(=O)NCc3ccc(O)cc3O)c[nH]c21 ZINC001142533438 1087278403 /nfs/dbraw/zinc/27/84/03/1087278403.db2.gz KHSMCMHPTWLQQJ-UHFFFAOYSA-N 0 0 324.380 3.137 20 10 DGCDRN CCc1oc2ccccc2c1C(=O)NCc1ccc(O)cc1O ZINC001142533196 1087278677 /nfs/dbraw/zinc/27/86/77/1087278677.db2.gz GCIODDJOHCJLNA-UHFFFAOYSA-N 0 0 311.337 3.336 20 10 DGCDRN CS(C)(=O)=Nc1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC001299205620 1087337745 /nfs/dbraw/zinc/33/77/45/1087337745.db2.gz IYNNUVAWCMGAHE-UHFFFAOYSA-N 0 0 310.400 3.065 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCCS2)cc1 ZINC000176486213 1087848985 /nfs/dbraw/zinc/84/89/85/1087848985.db2.gz NTYBMHAPXNTLGE-MRXNPFEDSA-N 0 0 321.490 3.228 20 10 DGCDRN COc1ccc(N2CCN(C(=O)C(C)=C3CCCC3)CC2)cc1 ZINC000176500653 1087850952 /nfs/dbraw/zinc/85/09/52/1087850952.db2.gz DAIMJCLJWPYKCD-UHFFFAOYSA-N 0 0 314.429 3.234 20 10 DGCDRN COc1cccc(CC(=O)N2Cc3cccc(O)c3C2)c1Cl ZINC001152572852 1088005628 /nfs/dbraw/zinc/00/56/28/1088005628.db2.gz IINBOOJITXJVJL-UHFFFAOYSA-N 0 0 317.772 3.139 20 10 DGCDRN Oc1ccc(CNC(F)(F)c2ccc(F)c(Cl)n2)cc1O ZINC001158994777 1088122626 /nfs/dbraw/zinc/12/26/26/1088122626.db2.gz VLUNHYZFPOQSGC-UHFFFAOYSA-N 0 0 318.682 3.124 20 10 DGCDRN O=[N+]([O-])c1ccc2ccc(NCc3ccc(O)c(O)c3)nc2c1 ZINC001158995715 1088125854 /nfs/dbraw/zinc/12/58/54/1088125854.db2.gz LYGYUVUBIICKMM-UHFFFAOYSA-N 0 0 311.297 3.166 20 10 DGCDRN COCc1cccc(C(=O)NCc2cccc(Cl)c2O)c1 ZINC001159033321 1088152412 /nfs/dbraw/zinc/15/24/12/1088152412.db2.gz FZJDUKPEYAUFGS-UHFFFAOYSA-N 0 0 305.761 3.122 20 10 DGCDRN Nc1ccc(Nc2cn3cc(Br)ccc3n2)cc1 ZINC001159204383 1088233509 /nfs/dbraw/zinc/23/35/09/1088233509.db2.gz YHMUFHSNOOLJAE-UHFFFAOYSA-N 0 0 303.163 3.423 20 10 DGCDRN O=C(CCc1ccc(Cl)c(F)c1)NCc1cccc(O)c1O ZINC001153798671 1088362260 /nfs/dbraw/zinc/36/22/60/1088362260.db2.gz VORSEMUQCBJQCE-UHFFFAOYSA-N 0 0 323.751 3.139 20 10 DGCDRN CCOC1CN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC001159619892 1088423376 /nfs/dbraw/zinc/42/33/76/1088423376.db2.gz QHGMBVJUIRGKCA-UHFFFAOYSA-N 0 0 312.413 3.263 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1COC[C@H]1C)c1cc(Br)ccc1O ZINC000699863961 1088453994 /nfs/dbraw/zinc/45/39/94/1088453994.db2.gz KNKSUZIHAIFGSD-JIMOISOXSA-N 0 0 314.223 3.230 20 10 DGCDRN Nc1nccc(F)c1NCc1cc(Cl)c2cccnc2c1O ZINC001168522470 1088528192 /nfs/dbraw/zinc/52/81/92/1088528192.db2.gz SFIWBGMUBWIOTN-UHFFFAOYSA-N 0 0 318.739 3.322 20 10 DGCDRN C[C@@H](NC(=O)C1=CC(=O)CS1)c1cc(F)ccc1N(C)C ZINC001160046072 1088617922 /nfs/dbraw/zinc/61/79/22/1088617922.db2.gz RKSTUKYMVUSPKB-SECBINFHSA-N 0 0 308.378 3.150 20 10 DGCDRN O=C(c1ccc2ccncc2c1)N1CCc2cccc(O)c2C1 ZINC001154596739 1088667405 /nfs/dbraw/zinc/66/74/05/1088667405.db2.gz MHKJZHUSHYRNBC-UHFFFAOYSA-N 0 0 304.349 3.139 20 10 DGCDRN CCN(Cc1ccccc1O)c1nc(Cl)nc(C)c1[N+](=O)[O-] ZINC001154890413 1088812505 /nfs/dbraw/zinc/81/25/05/1088812505.db2.gz ZGTBDRQWMVIQRJ-UHFFFAOYSA-N 0 0 322.752 3.079 20 10 DGCDRN CCN(Cc1ccccc1O)c1cncc(OCC(C)C)n1 ZINC001154890661 1088814081 /nfs/dbraw/zinc/81/40/81/1088814081.db2.gz IRZBKFDQBORQQJ-UHFFFAOYSA-N 0 0 301.390 3.244 20 10 DGCDRN COC(=O)c1cc2ccncc2nc1NCc1cccc(C)c1O ZINC001160769011 1088950522 /nfs/dbraw/zinc/95/05/22/1088950522.db2.gz GVKUSPFIGADKRJ-UHFFFAOYSA-N 0 0 323.352 3.043 20 10 DGCDRN COC(=O)c1cc(Cl)cc(NCc2c(C)cc(C)cc2O)n1 ZINC001160808141 1088970633 /nfs/dbraw/zinc/97/06/33/1088970633.db2.gz LZDBZMJVGVTUOK-UHFFFAOYSA-N 0 0 320.776 3.456 20 10 DGCDRN Cc1cc(C)c(CNc2cnc3cc([N+](=O)[O-])ccc3n2)c(O)c1 ZINC001160808485 1088971481 /nfs/dbraw/zinc/97/14/81/1088971481.db2.gz SUYPMKKKLGDEBL-UHFFFAOYSA-N 0 0 324.340 3.473 20 10 DGCDRN Cc1cc(C)c(CNc2nc(Cl)nc(C)c2[N+](=O)[O-])c(O)c1 ZINC001160808490 1088972934 /nfs/dbraw/zinc/97/29/34/1088972934.db2.gz TUYQJARVPZMHTL-UHFFFAOYSA-N 0 0 322.752 3.281 20 10 DGCDRN COC(=O)c1cc(C)cc(NCc2c(C)cc(C)cc2O)n1 ZINC001160810339 1088973751 /nfs/dbraw/zinc/97/37/51/1088973751.db2.gz PPCNSRPOWBVVHY-UHFFFAOYSA-N 0 0 300.358 3.111 20 10 DGCDRN Cc1cc(C)c(CNc2ccc(-c3ccncc3)nn2)c(O)c1 ZINC001160811623 1088976417 /nfs/dbraw/zinc/97/64/17/1088976417.db2.gz SNGXTYOKQSACTH-UHFFFAOYSA-N 0 0 306.369 3.473 20 10 DGCDRN Cc1cc(C)c(CNc2ccnc(N3CCCCC3)n2)c(O)c1 ZINC001160811249 1088977645 /nfs/dbraw/zinc/97/76/45/1088977645.db2.gz HZPHCIBXABEZPW-UHFFFAOYSA-N 0 0 312.417 3.401 20 10 DGCDRN Nc1ccc(CC(=O)N2CCC[C@@H]2c2ccc(F)cc2F)cc1 ZINC001160943092 1089030604 /nfs/dbraw/zinc/03/06/04/1089030604.db2.gz HRXHEOPMLYFVIH-QGZVFWFLSA-N 0 0 316.351 3.453 20 10 DGCDRN CC(C)[C@H]1N(C(=O)Cc2ccc(O)c(O)c2)CC12CCCCC2 ZINC001161237402 1089164290 /nfs/dbraw/zinc/16/42/90/1089164290.db2.gz HVYOLNCUZGRWKM-GOSISDBHSA-N 0 0 317.429 3.458 20 10 DGCDRN COc1ccc(CNC(=O)c2ccc(F)c3occc32)c(O)c1 ZINC001155574558 1089171677 /nfs/dbraw/zinc/17/16/77/1089171677.db2.gz LSLQCZSTUTYWBJ-UHFFFAOYSA-N 0 0 315.300 3.216 20 10 DGCDRN Oc1cc2c(cc1O)CN(c1ccc(-c3ccco3)nn1)CCC2 ZINC001155944602 1089307998 /nfs/dbraw/zinc/30/79/98/1089307998.db2.gz ITYCZCFNFXNVCC-UHFFFAOYSA-N 0 0 323.352 3.101 20 10 DGCDRN O=C(CCCc1c(F)cccc1F)NCc1c(O)cccc1F ZINC001156170578 1089416240 /nfs/dbraw/zinc/41/62/40/1089416240.db2.gz QHWUEXSWXMSHPB-UHFFFAOYSA-N 0 0 323.314 3.449 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cccc(Cl)c1[N+](=O)[O-] ZINC001156170467 1089416273 /nfs/dbraw/zinc/41/62/73/1089416273.db2.gz NKTONUZCYDRWNT-UHFFFAOYSA-N 0 0 324.695 3.023 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1ccc(C(F)(F)F)cc1 ZINC001156170665 1089417352 /nfs/dbraw/zinc/41/73/52/1089417352.db2.gz QYHBJCRSUDGVKH-UHFFFAOYSA-N 0 0 313.250 3.480 20 10 DGCDRN Cc1cc(Cl)cc(C(=O)NCc2c(O)cccc2F)c1N ZINC001156177888 1089420926 /nfs/dbraw/zinc/42/09/26/1089420926.db2.gz RCZGVAMULQOVBK-UHFFFAOYSA-N 0 0 308.740 3.005 20 10 DGCDRN CC(C)Oc1cc(F)ccc1N(CCO)c1ccc(N)cc1 ZINC001212294226 1089422580 /nfs/dbraw/zinc/42/25/80/1089422580.db2.gz RJRGFOIEJOXPPT-UHFFFAOYSA-N 0 0 304.365 3.326 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2COC[C@@H]2C)c(C)n1-c1cccc(C)c1 ZINC001156327074 1089479720 /nfs/dbraw/zinc/47/97/20/1089479720.db2.gz VDUZNLPGZNLUEN-SCLBCKFNSA-N 0 0 312.413 3.167 20 10 DGCDRN COc1nc(N(C)Cc2ccc(N(C)C)cc2)ccc1Cl ZINC001156921051 1089744418 /nfs/dbraw/zinc/74/44/18/1089744418.db2.gz QWJCVATUKDWWBW-UHFFFAOYSA-N 0 0 305.809 3.446 20 10 DGCDRN CN(C)c1ccc(CN(C)c2c[nH]c3ncnc(Cl)c23)cc1 ZINC001156924238 1089745538 /nfs/dbraw/zinc/74/55/38/1089745538.db2.gz SNJGFZWDOAGMSQ-UHFFFAOYSA-N 0 0 315.808 3.265 20 10 DGCDRN Cc1cnc(N(C)Cc2ccc(N(C)C)cc2)nc1NC1CC1 ZINC001156921524 1089746556 /nfs/dbraw/zinc/74/65/56/1089746556.db2.gz ZCRMSURRCKBZFU-UHFFFAOYSA-N 0 0 311.433 3.062 20 10 DGCDRN F[C@@H](NCc1ccc2c(c1)CCO2)Oc1ccnc(Cl)c1 ZINC001156968529 1089765119 /nfs/dbraw/zinc/76/51/19/1089765119.db2.gz OGAURNRRFQVCRJ-HNNXBMFYSA-N 0 0 308.740 3.092 20 10 DGCDRN Cc1cc(C(=O)NCc2c(O)ccc3ccccc32)cnc1F ZINC001157041849 1089796699 /nfs/dbraw/zinc/79/66/99/1089796699.db2.gz QESMMPPGGZGXDL-UHFFFAOYSA-N 0 0 310.328 3.318 20 10 DGCDRN COc1cc(O)c(CN2CC[C@@](C)(F)[C@H](F)C2)c(Cl)c1 ZINC001236800089 1089926455 /nfs/dbraw/zinc/92/64/55/1089926455.db2.gz WROAASVGRUIXHC-ZIAGYGMSSA-N 0 0 305.752 3.326 20 10 DGCDRN COc1cc2c(cc1Cl)ncnc2NCc1ccc(N)cc1 ZINC001162785925 1089953910 /nfs/dbraw/zinc/95/39/10/1089953910.db2.gz PSPWQWYYGDDISH-UHFFFAOYSA-N 0 0 314.776 3.486 20 10 DGCDRN CC1(C)OCc2c1nc(Cl)nc2NCc1ccc(N)cc1 ZINC001162784589 1089954049 /nfs/dbraw/zinc/95/40/49/1089954049.db2.gz RNEIHNAHCSSMRS-UHFFFAOYSA-N 0 0 304.781 3.090 20 10 DGCDRN CC/C(C)=C\C(=O)NCCC1=CCN(c2cccc(F)n2)CC1 ZINC001089831008 1089954080 /nfs/dbraw/zinc/95/40/80/1089954080.db2.gz QFKYCNXYWQLENP-YPKPFQOOSA-N 0 0 317.408 3.220 20 10 DGCDRN COc1ccc2nc(Cl)cc(NCc3ccc(N)cc3)c2n1 ZINC001162785895 1089954582 /nfs/dbraw/zinc/95/45/82/1089954582.db2.gz NWUQGTSWJBGULP-UHFFFAOYSA-N 0 0 314.776 3.486 20 10 DGCDRN CCOC(=O)c1cnc(Cl)c(C)c1NCc1ccc(N)cc1 ZINC001162785442 1089955423 /nfs/dbraw/zinc/95/54/23/1089955423.db2.gz DOLVIIAWUFPOGT-UHFFFAOYSA-N 0 0 319.792 3.414 20 10 DGCDRN OCCN(Cc1cccs1)Cc1c(O)ccc(F)c1Cl ZINC001237124524 1090287374 /nfs/dbraw/zinc/28/73/74/1090287374.db2.gz NFSAAFHSFPIZGQ-UHFFFAOYSA-N 0 0 315.797 3.241 20 10 DGCDRN CN(Cc1scnc1Br)Cc1ccccc1O ZINC001238031777 1090337217 /nfs/dbraw/zinc/33/72/17/1090337217.db2.gz DJQHJCIIIXYTKH-UHFFFAOYSA-N 0 0 313.220 3.243 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1cc2cnccc2o1 ZINC001203457570 1090532718 /nfs/dbraw/zinc/53/27/18/1090532718.db2.gz LIRCRCKDDMGVHI-SNVBAGLBSA-N 0 0 313.313 3.292 20 10 DGCDRN CC(C)(C)Oc1ccc(-c2noc(-c3csnn3)n2)cc1 ZINC001212362454 1090576422 /nfs/dbraw/zinc/57/64/22/1090576422.db2.gz VNJHYILTGWRBSC-UHFFFAOYSA-N 0 0 302.359 3.432 20 10 DGCDRN COc1ccc2nccc(Nc3ccc(Cl)cc3O)c2n1 ZINC001214405056 1090604931 /nfs/dbraw/zinc/60/49/31/1090604931.db2.gz MTIHOFBVGFEQPF-UHFFFAOYSA-N 0 0 301.733 3.163 20 10 DGCDRN Cc1nc2cc(-c3noc(-c4nnsc4C)n3)ccc2s1 ZINC001212405353 1090626267 /nfs/dbraw/zinc/62/62/67/1090626267.db2.gz PUMNLKURCUXURF-UHFFFAOYSA-N 0 0 315.383 3.482 20 10 DGCDRN Cc1snnc1-c1nc(-c2ccc(OC3CC3)cc2)no1 ZINC001212405335 1090626580 /nfs/dbraw/zinc/62/65/80/1090626580.db2.gz OSYAVXIMCYETKV-UHFFFAOYSA-N 0 0 300.343 3.105 20 10 DGCDRN CC(C)(C)OC(=O)N[C@]1(C)CCC[N@H+](Cc2ccccc2O)C1 ZINC001203550394 1090752950 /nfs/dbraw/zinc/75/29/50/1090752950.db2.gz UXDBSNGRSSJUNN-GOSISDBHSA-N 0 0 320.433 3.271 20 10 DGCDRN CCOc1cccc(CN2CCc3ncc(Cl)cc3C2)c1O ZINC001203615190 1090767663 /nfs/dbraw/zinc/76/76/63/1090767663.db2.gz MYRMQRCRIKQIGD-UHFFFAOYSA-N 0 0 318.804 3.398 20 10 DGCDRN CC(=O)[C@H]1CCCCN1Cc1cc(Br)ccc1O ZINC001203645489 1090772612 /nfs/dbraw/zinc/77/26/12/1090772612.db2.gz KYXPKYJKTHLRAZ-CYBMUJFWSA-N 0 0 312.207 3.098 20 10 DGCDRN OC1CCN(c2ccc(CNc3cnc4[nH]ccc4c3)cc2)CC1 ZINC001203676776 1090778035 /nfs/dbraw/zinc/77/80/35/1090778035.db2.gz UDOGDOWJLIGTRT-UHFFFAOYSA-N 0 0 322.412 3.088 20 10 DGCDRN Nc1ccc(N(CCO)c2ccc(N3CCCCC3)cc2)cc1 ZINC001203719430 1090788611 /nfs/dbraw/zinc/78/86/11/1090788611.db2.gz WVHIYZIYGMSNMU-UHFFFAOYSA-N 0 0 311.429 3.390 20 10 DGCDRN CN(C)c1ccc(CN2[C@@H](CO)CCC[C@@H]2C(F)(F)F)cc1 ZINC001203929380 1090841314 /nfs/dbraw/zinc/84/13/14/1090841314.db2.gz BBYVRQLWJBLTCR-HUUCEWRRSA-N 0 0 316.367 3.030 20 10 DGCDRN CN(C)c1ccc(C[N@@H+]2CCC[C@H]2C(=O)Nc2ccccc2)cc1 ZINC001203936628 1090844824 /nfs/dbraw/zinc/84/48/24/1090844824.db2.gz ILMPPBBRBHZASO-IBGZPJMESA-N 0 0 323.440 3.356 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC001204002008 1090864297 /nfs/dbraw/zinc/86/42/97/1090864297.db2.gz HTKGLJJVSRTFJA-UHFFFAOYSA-N 0 0 303.749 3.319 20 10 DGCDRN COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204233200 1090930539 /nfs/dbraw/zinc/93/05/39/1090930539.db2.gz OSCLAFRUDMIPAD-SFHVURJKSA-N 0 0 312.413 3.043 20 10 DGCDRN CN(C)c1ccc(CN2CC(F)(F)C[C@H]2CO)c2ccccc21 ZINC001204233637 1090930769 /nfs/dbraw/zinc/93/07/69/1090930769.db2.gz TUHZKSMPGFHJLV-AWEZNQCLSA-N 0 0 320.383 3.108 20 10 DGCDRN CN(C)c1ccc(CN2CCC[C@H](F)C(=O)C2)c2ccccc21 ZINC001204234177 1090931732 /nfs/dbraw/zinc/93/17/32/1090931732.db2.gz XUMOZXUOJRQPLL-KRWDZBQOSA-N 0 0 314.404 3.409 20 10 DGCDRN c1cnc([C@H]2CCCN2Cc2ccc(N3CCCC3)cc2)nc1 ZINC001204329536 1090950368 /nfs/dbraw/zinc/95/03/68/1090950368.db2.gz OXTBWLOVFBAOEH-GOSISDBHSA-N 0 0 308.429 3.414 20 10 DGCDRN COc1cc(CN2CCC[C@H]2c2ccc(C)nc2)cc(O)c1O ZINC001204346498 1090952920 /nfs/dbraw/zinc/95/29/20/1090952920.db2.gz SLCPOSIKFJFKNJ-HNNXBMFYSA-N 0 0 314.385 3.147 20 10 DGCDRN COc1cc(CN2Cc3ccccc3C(F)(F)C2)cc(O)c1O ZINC001204344691 1090953087 /nfs/dbraw/zinc/95/30/87/1090953087.db2.gz XCUACRYBESEGED-UHFFFAOYSA-N 0 0 321.323 3.214 20 10 DGCDRN COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])C2 ZINC001204961902 1091072955 /nfs/dbraw/zinc/07/29/55/1091072955.db2.gz WYPWTUIGZXIEKD-CQSZACIVSA-N 0 0 319.351 3.326 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)c1cccnc1C(F)F ZINC001128704590 1091079376 /nfs/dbraw/zinc/07/93/76/1091079376.db2.gz QGQKOAPXWHWQNR-UHFFFAOYSA-N 0 0 324.674 3.461 20 10 DGCDRN Cc1c(CN2CCn3c(nnc3C(C)C)C2)c2ccccc2n1C ZINC001138256643 1091126863 /nfs/dbraw/zinc/12/68/63/1091126863.db2.gz DXNUCZQCULOJCC-UHFFFAOYSA-N 0 0 323.444 3.217 20 10 DGCDRN CC(C)(C)OC(=O)N1CCC=C(Nc2cccc(O)c2O)C1 ZINC001205247515 1091147355 /nfs/dbraw/zinc/14/73/55/1091147355.db2.gz WXZSNTWPIHEGPN-UHFFFAOYSA-N 0 0 306.362 3.034 20 10 DGCDRN Cc1cc2c[nH]nc2cc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001292807890 1091182132 /nfs/dbraw/zinc/18/21/32/1091182132.db2.gz HPTQTCUHDKVUPB-UHFFFAOYSA-N 0 0 322.328 3.286 20 10 DGCDRN CC(C)c1ccc(O)c(CNc2ccc3c(c2)OCC(=O)N3)c1 ZINC001205367008 1091201285 /nfs/dbraw/zinc/20/12/85/1091201285.db2.gz ONCVGIYMIUZLGA-UHFFFAOYSA-N 0 0 312.369 3.459 20 10 DGCDRN Cc1cc(CC(=O)Nc2ccncc2C)c(C)n1-c1ccccc1 ZINC001293053500 1091210186 /nfs/dbraw/zinc/21/01/86/1091210186.db2.gz ZZNFWGQCPXQYCH-UHFFFAOYSA-N 0 0 319.408 3.401 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC001205492554 1091234182 /nfs/dbraw/zinc/23/41/82/1091234182.db2.gz LIOIEEHTMMJTFE-SFHVURJKSA-N 0 0 317.335 3.302 20 10 DGCDRN O=C1c2ccccc2-c2cccc(Nc3cnn(C4COC4)c3)c21 ZINC001205586271 1091268727 /nfs/dbraw/zinc/26/87/27/1091268727.db2.gz QZFUJDWXIADMPT-UHFFFAOYSA-N 0 0 317.348 3.409 20 10 DGCDRN Cc1cc(O)c(CNc2cccc(N(C)C(N)=O)c2)c(Cl)c1 ZINC001205609443 1091276822 /nfs/dbraw/zinc/27/68/22/1091276822.db2.gz RVNHCILSAHXWAV-UHFFFAOYSA-N 0 0 319.792 3.481 20 10 DGCDRN C[C@@H]1CC=C(C(=O)N2CCOc3cc(N(C)C)ccc32)CC1 ZINC001293955329 1091331208 /nfs/dbraw/zinc/33/12/08/1091331208.db2.gz GKJXOMGQXXZQPD-CYBMUJFWSA-N 0 0 300.402 3.224 20 10 DGCDRN Cc1ncc(-c2ncnc3c2ccn3Cc2cccc(F)c2)cn1 ZINC001205826088 1091367826 /nfs/dbraw/zinc/36/78/26/1091367826.db2.gz KOKGVYBWDPJBHI-UHFFFAOYSA-N 0 0 319.343 3.384 20 10 DGCDRN [O-]c1c(C[NH2+]Cc2cccc(C(F)(F)F)n2)ccc(F)c1F ZINC001205882895 1091393805 /nfs/dbraw/zinc/39/38/05/1091393805.db2.gz OIDWUWXTEANZAY-UHFFFAOYSA-N 0 0 318.245 3.374 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc2cnccc2n1 ZINC001294681726 1091428532 /nfs/dbraw/zinc/42/85/32/1091428532.db2.gz VUMGBJYMPQQXGB-UHFFFAOYSA-N 0 0 321.380 3.388 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC001139129131 1091458983 /nfs/dbraw/zinc/45/89/83/1091458983.db2.gz NTMWDGTZGQYQKB-YPMHNXCESA-N 0 0 301.386 3.427 20 10 DGCDRN Cc1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)nc1C ZINC001294869867 1091463783 /nfs/dbraw/zinc/46/37/83/1091463783.db2.gz OODRGTMMHDWBEE-UHFFFAOYSA-N 0 0 310.397 3.213 20 10 DGCDRN CCOc1ccc(NC(=O)NCc2cccc(C)c2O)cc1 ZINC001202914048 1091501864 /nfs/dbraw/zinc/50/18/64/1091501864.db2.gz HTUPFAHIWRPJGX-UHFFFAOYSA-N 0 0 300.358 3.421 20 10 DGCDRN Cn1ccc(Nc2cccc3c2C(=O)c2ccccc2-3)cc1=O ZINC001206123316 1091502912 /nfs/dbraw/zinc/50/29/12/1091502912.db2.gz RPYSDIYWTLEJKC-UHFFFAOYSA-N 0 0 302.333 3.340 20 10 DGCDRN COc1ccc(N(c2ccc(N)cc2)c2ccn(C)c(=O)c2)cc1 ZINC001206123347 1091503041 /nfs/dbraw/zinc/50/30/41/1091503041.db2.gz SHJODRIUTXYISX-UHFFFAOYSA-N 0 0 321.380 3.446 20 10 DGCDRN [O-]c1c(F)cccc1C[NH+]1CC(Cc2c(F)cccc2F)C1 ZINC001206180717 1091524337 /nfs/dbraw/zinc/52/43/37/1091524337.db2.gz SCUXTANHJIPCOE-UHFFFAOYSA-N 0 0 307.315 3.484 20 10 DGCDRN [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2O)CC[C@@H]1F ZINC001206201818 1091532577 /nfs/dbraw/zinc/53/25/77/1091532577.db2.gz YZWAOVUGQYUFLD-ROUUACIJSA-N 0 0 314.404 3.320 20 10 DGCDRN C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1c(F)ccc(F)c1[O-] ZINC001139685805 1091641576 /nfs/dbraw/zinc/64/15/76/1091641576.db2.gz XUUDFFIDGRSYNN-UHFFFAOYSA-N 0 0 321.323 3.074 20 10 DGCDRN COc1cccc2c1C[N@H+](Cc1c(F)ccc(F)c1[O-])CC2 ZINC001139683736 1091641817 /nfs/dbraw/zinc/64/18/17/1091641817.db2.gz DJQWJFATVAGANW-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN C[NH+](C)CCN(Cc1ccccc1)Cc1c(F)ccc(F)c1[O-] ZINC001139685509 1091642014 /nfs/dbraw/zinc/64/20/14/1091642014.db2.gz LYYYDAZGPLHSPO-UHFFFAOYSA-N 0 0 320.383 3.234 20 10 DGCDRN C[C@H]1C(=O)CC[N@H+](Cc2c(F)ccc(F)c2[O-])C12CCCC2 ZINC001139688798 1091643548 /nfs/dbraw/zinc/64/35/48/1091643548.db2.gz ATGOLTZQOKIYHP-NSHDSACASA-N 0 0 309.356 3.394 20 10 DGCDRN COc1ccc(N2CCN(Cc3ccc(C)cn3)CC2)c(C)c1 ZINC001139841269 1091688014 /nfs/dbraw/zinc/68/80/14/1091688014.db2.gz KFJLGNRAXODWEC-UHFFFAOYSA-N 0 0 311.429 3.029 20 10 DGCDRN CCN(Cc1ccccc1O)c1nc(Cl)nc2c1ccn2C ZINC001154890078 1091784661 /nfs/dbraw/zinc/78/46/61/1091784661.db2.gz PPCFUZZFZNDJFF-UHFFFAOYSA-N 0 0 316.792 3.354 20 10 DGCDRN Cc1ccc(C)c(CN2CC(Oc3ccccc3F)C2)c1O ZINC001140182305 1091793814 /nfs/dbraw/zinc/79/38/14/1091793814.db2.gz OKLNKRJGQOVYML-UHFFFAOYSA-N 0 0 301.361 3.411 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Cc1ccnc(F)c1 ZINC001297005709 1091819487 /nfs/dbraw/zinc/81/94/87/1091819487.db2.gz MSYMCOWVCZORHV-UHFFFAOYSA-N 0 0 316.376 3.298 20 10 DGCDRN CCOC(=O)CN(Cc1c(O)cccc1Cl)C1CCCC1 ZINC001140342722 1091836225 /nfs/dbraw/zinc/83/62/25/1091836225.db2.gz VSCQQJZLYZQEPY-UHFFFAOYSA-N 0 0 311.809 3.353 20 10 DGCDRN Oc1cccc(Cl)c1CN1CC(OCc2ccccc2)C1 ZINC001140345245 1091837645 /nfs/dbraw/zinc/83/76/45/1091837645.db2.gz QKAYBBXEBAPNNX-UHFFFAOYSA-N 0 0 303.789 3.447 20 10 DGCDRN CC(C)CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140466622 1091879566 /nfs/dbraw/zinc/87/95/66/1091879566.db2.gz IIASCAYZKVSYET-UHFFFAOYSA-N 0 0 324.852 3.172 20 10 DGCDRN C[N@H+](CCCC(=O)c1cccnc1)Cc1c([O-])cc(F)cc1F ZINC001140583247 1091920275 /nfs/dbraw/zinc/92/02/75/1091920275.db2.gz AYYFIDYQAHZYMU-UHFFFAOYSA-N 0 0 320.339 3.160 20 10 DGCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001140585530 1091921261 /nfs/dbraw/zinc/92/12/61/1091921261.db2.gz MMYODSUZHQDFEK-CQSZACIVSA-N 0 0 320.339 3.109 20 10 DGCDRN Cc1ccc(O)c(CN2Cc3cc(Br)cnc3C2)c1 ZINC001140623635 1091935946 /nfs/dbraw/zinc/93/59/46/1091935946.db2.gz ZTZDMKJBXLQRAT-UHFFFAOYSA-N 0 0 319.202 3.374 20 10 DGCDRN CCN(CC)c1ccc(CN(C)Cc2cscn2)c(O)c1 ZINC001140856001 1092030493 /nfs/dbraw/zinc/03/04/93/1092030493.db2.gz OMLCTSZSTYJQNU-UHFFFAOYSA-N 0 0 305.447 3.327 20 10 DGCDRN Cc1ccc(CN2CC[C@H](N3CCCC3)C(F)(F)C2)c(O)c1 ZINC001140954773 1092079804 /nfs/dbraw/zinc/07/98/04/1092079804.db2.gz YSHKCZXCSHNXIP-INIZCTEOSA-N 0 0 310.388 3.006 20 10 DGCDRN CC(C)C[C@@H](C)n1nccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001298809019 1092109906 /nfs/dbraw/zinc/10/99/06/1092109906.db2.gz HUPMHANSSZQZLP-GFCCVEGCSA-N 0 0 317.389 3.083 20 10 DGCDRN COc1cc(O)c(C[N@H+](C)CCc2ccccc2F)c(OC)c1 ZINC001141030714 1092112847 /nfs/dbraw/zinc/11/28/47/1092112847.db2.gz HZAQDUIGBIFPTN-UHFFFAOYSA-N 0 0 319.376 3.223 20 10 DGCDRN CN1CCOc2cc(CN3CCCC[C@@H]3C(F)(F)F)ccc21 ZINC001141142769 1092149067 /nfs/dbraw/zinc/14/90/67/1092149067.db2.gz AKILTKJNKAXRNU-OAHLLOKOSA-N 0 0 314.351 3.432 20 10 DGCDRN CC[N@H+](Cc1cc(O)c(OC)c(OC)c1)Cc1ccccc1O ZINC001141173429 1092160834 /nfs/dbraw/zinc/16/08/34/1092160834.db2.gz AXIFXFWQLAIBRU-UHFFFAOYSA-N 0 0 317.385 3.137 20 10 DGCDRN CCC(F)(F)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001141722468 1092324473 /nfs/dbraw/zinc/32/44/73/1092324473.db2.gz CCPLMTFVGHAUSQ-UHFFFAOYSA-N 0 0 316.311 3.380 20 10 DGCDRN C[N@H+](CCCC(=O)c1cccnc1)Cc1cc(F)c(F)cc1[O-] ZINC001142524607 1092493904 /nfs/dbraw/zinc/49/39/04/1092493904.db2.gz DCXQOQVZSFXKDM-UHFFFAOYSA-N 0 0 320.339 3.160 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC001142524738 1092494721 /nfs/dbraw/zinc/49/47/21/1092494721.db2.gz ISHOTUVMQMCJSH-LBPRGKRZSA-N 0 0 304.340 3.445 20 10 DGCDRN C[C@@H](C(=O)NCc1ccc2cccnc2c1O)c1ccsc1 ZINC001142728684 1092539251 /nfs/dbraw/zinc/53/92/51/1092539251.db2.gz ZWQIQAZITKGRSC-LLVKDONJSA-N 0 0 312.394 3.422 20 10 DGCDRN CCOC(=O)CN(Cc1cccc(C(C)(C)C)c1O)C1CC1 ZINC001143116478 1092618582 /nfs/dbraw/zinc/61/85/82/1092618582.db2.gz CVCVAYVOGYYRQE-UHFFFAOYSA-N 0 0 305.418 3.217 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(F)c(O)c1 ZINC001149880835 1092739376 /nfs/dbraw/zinc/73/93/76/1092739376.db2.gz VYPSSPFLGHPSEQ-UHFFFAOYSA-N 0 0 303.333 3.289 20 10 DGCDRN O=C(N[C@@H]1CCc2ccc(Cl)cc21)c1cccc(O)c1O ZINC001149971770 1092745990 /nfs/dbraw/zinc/74/59/90/1092745990.db2.gz HWJFIZDUVWSDJM-CYBMUJFWSA-N 0 0 303.745 3.169 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cnc2cc[nH]c2c1 ZINC001150385785 1092776710 /nfs/dbraw/zinc/77/67/10/1092776710.db2.gz FJEJVWDNQVYCBH-UHFFFAOYSA-N 0 0 321.380 3.077 20 10 DGCDRN O=C1c2cccc(Nc3ccc4c(c3)OCCN4)c2CN1C1CC1 ZINC001209788696 1092924141 /nfs/dbraw/zinc/92/41/41/1092924141.db2.gz GGGCFGRATCIGRE-UHFFFAOYSA-N 0 0 321.380 3.353 20 10 DGCDRN CO[C@@H](C)c1cccc(N(c2ccc(N)cc2)S(C)(=O)=O)c1 ZINC001209953323 1092992751 /nfs/dbraw/zinc/99/27/51/1092992751.db2.gz ZTXBHYAVYOUZOK-LBPRGKRZSA-N 0 0 320.414 3.074 20 10 DGCDRN Cc1oncc1Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC001210582541 1093217802 /nfs/dbraw/zinc/21/78/02/1093217802.db2.gz AUJRHCQNWDWPJL-UHFFFAOYSA-N 0 0 320.304 3.208 20 10 DGCDRN CN(c1ccc(N)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC001211002104 1093350683 /nfs/dbraw/zinc/35/06/83/1093350683.db2.gz BUEKMONNOBEQPZ-UHFFFAOYSA-N 0 0 301.365 3.012 20 10 DGCDRN Cc1ccc2c(c1Nc1ccncn1)C(=O)c1ccccc1C2=O ZINC001211027617 1093356001 /nfs/dbraw/zinc/35/60/01/1093356001.db2.gz WDYNGGOAMPORPI-UHFFFAOYSA-N 0 0 315.332 3.304 20 10 DGCDRN COc1cc(F)c(N(CCO)c2ccc(N)cc2)cc1Cl ZINC001214065354 1093706736 /nfs/dbraw/zinc/70/67/36/1093706736.db2.gz OSYOUMOFESIPLW-UHFFFAOYSA-N 0 0 310.756 3.200 20 10 DGCDRN CC(C)Oc1ccc(F)c(F)c1N(CCO)c1ccc(N)cc1 ZINC001215076626 1093911198 /nfs/dbraw/zinc/91/11/98/1093911198.db2.gz RMDGUNZKHKLRAS-UHFFFAOYSA-N 0 0 322.355 3.465 20 10 DGCDRN Oc1cccc(-c2nc(-c3ccc4ccncc4c3)no2)c1O ZINC001215145980 1093926931 /nfs/dbraw/zinc/92/69/31/1093926931.db2.gz VJXFNDUSJDLSPM-UHFFFAOYSA-N 0 0 305.293 3.363 20 10 DGCDRN COc1c(F)cc(-c2noc(-c3cccc(O)c3O)n2)cc1F ZINC001215145773 1093927211 /nfs/dbraw/zinc/92/72/11/1093927211.db2.gz IHECMZITZKEFHW-UHFFFAOYSA-N 0 0 320.251 3.102 20 10 DGCDRN Cc1cc(F)cc(-c2noc(-c3cccc(O)c3O)n2)c1F ZINC001215145653 1093927310 /nfs/dbraw/zinc/92/73/10/1093927310.db2.gz AMLORELMWCVOEH-UHFFFAOYSA-N 0 0 304.252 3.401 20 10 DGCDRN Oc1cccc(-c2nc(-c3cncc4ccccc43)no2)c1O ZINC001215145685 1093927328 /nfs/dbraw/zinc/92/73/28/1093927328.db2.gz CDLSEQFUYVAFBU-UHFFFAOYSA-N 0 0 305.293 3.363 20 10 DGCDRN Oc1cccc(-c2nc(-c3cnc4c(c3)CCCC4)no2)c1O ZINC001215145772 1093927370 /nfs/dbraw/zinc/92/73/70/1093927370.db2.gz IEOFNQCKRXKLTC-UHFFFAOYSA-N 0 0 309.325 3.089 20 10 DGCDRN COCOc1ccc(N(CCO)c2ccc(N)cc2)cc1Cl ZINC001215257798 1093947081 /nfs/dbraw/zinc/94/70/81/1093947081.db2.gz UVQCEJJBFRUIMF-UHFFFAOYSA-N 0 0 322.792 3.035 20 10 DGCDRN Oc1ccc(-c2nc(-c3ccc4scnc4c3)no2)cc1O ZINC001215303985 1093954991 /nfs/dbraw/zinc/95/49/91/1093954991.db2.gz AHPBMSZZDMJDKM-UHFFFAOYSA-N 0 0 311.322 3.425 20 10 DGCDRN Oc1ccc(-c2nc(-c3ncccc3C(F)(F)F)no2)cc1O ZINC001215304663 1093955798 /nfs/dbraw/zinc/95/57/98/1093955798.db2.gz XOWKULJNMUVQRM-UHFFFAOYSA-N 0 0 323.230 3.229 20 10 DGCDRN Oc1cc(-c2nc(-c3cccc4ccncc43)no2)cc(O)c1O ZINC001215327804 1093961533 /nfs/dbraw/zinc/96/15/33/1093961533.db2.gz UTTLRSXFSDVXKF-UHFFFAOYSA-N 0 0 321.292 3.069 20 10 DGCDRN Oc1cc(-c2nc(-c3ccnc4ccccc43)no2)cc(O)c1O ZINC001215328521 1093961991 /nfs/dbraw/zinc/96/19/91/1093961991.db2.gz JAIAMVXRCBCOBN-UHFFFAOYSA-N 0 0 321.292 3.069 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)Nc1cccc(Cl)n1 ZINC001215569871 1094002802 /nfs/dbraw/zinc/00/28/02/1094002802.db2.gz ISPJPCQSKVLLEE-UHFFFAOYSA-N 0 0 312.156 3.416 20 10 DGCDRN Nc1ccnc(-c2cc(Nc3c(O)cccc3Cl)ccn2)c1 ZINC001215982726 1094099741 /nfs/dbraw/zinc/09/97/41/1094099741.db2.gz BGDUYQCSYOBNIF-UHFFFAOYSA-N 0 0 312.760 3.250 20 10 DGCDRN Nc1ccc(N(CCO)c2ccc(N)cc2C(F)(F)F)cc1 ZINC001216132105 1094130869 /nfs/dbraw/zinc/13/08/69/1094130869.db2.gz JRHOIUWEDYGUAK-UHFFFAOYSA-N 0 0 311.307 3.000 20 10 DGCDRN COc1cc(-c2nc(-c3ccc(C)cc3F)no2)cc(O)c1O ZINC001216944791 1094282865 /nfs/dbraw/zinc/28/28/65/1094282865.db2.gz WWPXDQYQBLLUGU-UHFFFAOYSA-N 0 0 316.288 3.271 20 10 DGCDRN Nc1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC001120268421 1094397996 /nfs/dbraw/zinc/39/79/96/1094397996.db2.gz DTWDCULZNIZZBW-GOSISDBHSA-N 0 0 312.413 3.156 20 10 DGCDRN CN(CC1(c2ccccc2)CC1)C(=O)NCc1ccc(N)cc1 ZINC001120591612 1094464225 /nfs/dbraw/zinc/46/42/25/1094464225.db2.gz CTNJYSHADVJBLZ-UHFFFAOYSA-N 0 0 309.413 3.142 20 10 DGCDRN N[C@@H](Cc1ccco1)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217692332 1094472298 /nfs/dbraw/zinc/47/22/98/1094472298.db2.gz JHBQZTZPSXCSNO-INIZCTEOSA-N 0 0 320.352 3.363 20 10 DGCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1cc(Cl)ccn1 ZINC001336452766 1094652535 /nfs/dbraw/zinc/65/25/35/1094652535.db2.gz GECDNTJMWNWZHR-UHFFFAOYSA-N 0 0 317.820 3.208 20 10 DGCDRN CN(CC1CCC1)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC001122015344 1094869886 /nfs/dbraw/zinc/86/98/86/1094869886.db2.gz UKEYISCGNMPQOO-UHFFFAOYSA-N 0 0 315.442 3.188 20 10 DGCDRN Cc1ncccc1/C=C\C(=O)N(C)c1cccc2c1CCCN2 ZINC001337257532 1094910467 /nfs/dbraw/zinc/91/04/67/1094910467.db2.gz DPQPWVGPQZDQPG-KHPPLWFESA-N 0 0 307.397 3.424 20 10 DGCDRN CC(C)CNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001219188872 1094950065 /nfs/dbraw/zinc/95/00/65/1094950065.db2.gz BVQGSUJSUKDHJB-UHFFFAOYSA-N 0 0 309.373 3.174 20 10 DGCDRN O=Cc1ccc(F)c(C(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC001136312805 1094984964 /nfs/dbraw/zinc/98/49/64/1094984964.db2.gz SGERAYIZKRDUQW-UHFFFAOYSA-N 0 0 312.344 3.491 20 10 DGCDRN CCc1cccc(C(=O)NCc2ccc3c(c2)CCCN3C)c1O ZINC001136436367 1095037167 /nfs/dbraw/zinc/03/71/67/1095037167.db2.gz UHJXDBLGUGCTIP-UHFFFAOYSA-N 0 0 324.424 3.267 20 10 DGCDRN Cc1ncc(/C=C/C(=O)N2CCCn3nc(C)c(Cl)c32)s1 ZINC001337649435 1095049132 /nfs/dbraw/zinc/04/91/32/1095049132.db2.gz UUPBJWAULREKCN-SNAWJCMRSA-N 0 0 322.821 3.060 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)c1 ZINC001337652716 1095050263 /nfs/dbraw/zinc/05/02/63/1095050263.db2.gz ZKKVRKLVTHANGP-XADIQQCASA-N 0 0 318.417 3.053 20 10 DGCDRN Cc1occc1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001136489315 1095055181 /nfs/dbraw/zinc/05/51/81/1095055181.db2.gz MGEBEKVZBDMDOI-UHFFFAOYSA-N 0 0 303.339 3.144 20 10 DGCDRN O=C(NCCCc1ccccc1)NCc1cccc(Cl)c1O ZINC001220657409 1095132537 /nfs/dbraw/zinc/13/25/37/1095132537.db2.gz HIUSGXYQPQPWRY-UHFFFAOYSA-N 0 0 318.804 3.478 20 10 DGCDRN CCO[C@H](C(=O)NCc1ccc(N(CC)CC)c(F)c1)C(C)C ZINC001136730501 1095139588 /nfs/dbraw/zinc/13/95/88/1095139588.db2.gz RTIRAOOTFBIWQR-KRWDZBQOSA-N 0 0 324.440 3.349 20 10 DGCDRN CCc1nc(C(=O)N(C)Cc2ccc(N(CC)CC)cc2)co1 ZINC001338243957 1095235835 /nfs/dbraw/zinc/23/58/35/1095235835.db2.gz QAMSIWZLAXSFDV-UHFFFAOYSA-N 0 0 315.417 3.355 20 10 DGCDRN CC(C)[C@@]1(C)C[C@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001221545516 1095299821 /nfs/dbraw/zinc/29/98/21/1095299821.db2.gz LNCYRXIKHNVPIW-NVXWUHKLSA-N 0 0 307.413 3.126 20 10 DGCDRN C[C@@H]1CCN(c2nnc(C3SC=CC3=O)n2C)CC1(C)C ZINC001338750650 1095379787 /nfs/dbraw/zinc/37/97/87/1095379787.db2.gz MZRDBRYFVIIZLK-SNVBAGLBSA-N 0 0 306.435 3.122 20 10 DGCDRN O=c1[nH]c2ccc(NCc3ccc(N4CCCC4)cc3)cc2[nH]1 ZINC000319964440 1095432570 /nfs/dbraw/zinc/43/25/70/1095432570.db2.gz IIQHFCNMYNZAKG-UHFFFAOYSA-N 0 0 308.385 3.069 20 10 DGCDRN COc1ccc(CN2CCc3cccc(O)c3C2)c(F)c1F ZINC001143915634 1095437683 /nfs/dbraw/zinc/43/76/83/1095437683.db2.gz LWKCICNRFHOTPN-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN CN(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001338928168 1095439866 /nfs/dbraw/zinc/43/98/66/1095439866.db2.gz CCFZCXNOVOOZOM-CHWSQXEVSA-N 0 0 300.805 3.147 20 10 DGCDRN CC(C)C[C@@H](O)C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001144174923 1095543372 /nfs/dbraw/zinc/54/33/72/1095543372.db2.gz BKCWARYBJHAGCO-GOSISDBHSA-N 0 0 312.413 3.209 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1CN1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222395273 1095590306 /nfs/dbraw/zinc/59/03/06/1095590306.db2.gz JRLWBBJWPMQOQR-MRXNPFEDSA-N 0 0 312.816 3.293 20 10 DGCDRN CO[C@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)C1CCC1 ZINC001124549101 1095603019 /nfs/dbraw/zinc/60/30/19/1095603019.db2.gz CESGMXFPBASTJD-SFHVURJKSA-N 0 0 316.445 3.060 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Cc2ccc3cnccc3c2)cc1 ZINC001124553633 1095603395 /nfs/dbraw/zinc/60/33/95/1095603395.db2.gz SZYFDXVUQGQOAE-UHFFFAOYSA-N 0 0 319.408 3.160 20 10 DGCDRN CC(C)c1noc(CC[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])n1 ZINC001116589335 1095608865 /nfs/dbraw/zinc/60/88/65/1095608865.db2.gz UHRWJBJQIDTQDP-VIFPVBQESA-N 0 0 311.332 3.070 20 10 DGCDRN CC(C)c1ncc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)[nH]1 ZINC001116660983 1095627838 /nfs/dbraw/zinc/62/78/38/1095627838.db2.gz GSLPNQWQFLBUOR-GFCCVEGCSA-N 0 0 300.406 3.090 20 10 DGCDRN CCO[C@H](CC)c1nnc(N(C)Cc2ccccc2O)n1CC ZINC001339570923 1095660928 /nfs/dbraw/zinc/66/09/28/1095660928.db2.gz ZTRXMYRYFQTOQE-OAHLLOKOSA-N 0 0 318.421 3.128 20 10 DGCDRN Cc1cccc(CN(C)c2nnc(C3SC=CC3=O)n2C)c1 ZINC001339574179 1095662331 /nfs/dbraw/zinc/66/23/31/1095662331.db2.gz RQCIHALXDJHLFA-UHFFFAOYSA-N 0 0 314.414 3.194 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C[C@H]2CC(C)(C)CO2)cc1 ZINC001125166266 1095664695 /nfs/dbraw/zinc/66/46/95/1095664695.db2.gz GTIBDBJOVACHDU-KRWDZBQOSA-N 0 0 318.461 3.354 20 10 DGCDRN COc1ccc(CNC(=O)[C@@H](C)c2ccc(F)cc2F)c(O)c1 ZINC001116872259 1095685532 /nfs/dbraw/zinc/68/55/32/1095685532.db2.gz ZNZIPHYOTXRWKM-JTQLQIEISA-N 0 0 321.323 3.099 20 10 DGCDRN Oc1cccc2c1CN(Cc1cccnc1Br)CC2 ZINC001137800430 1095745537 /nfs/dbraw/zinc/74/55/37/1095745537.db2.gz JKOYZGMBXDSXDU-UHFFFAOYSA-N 0 0 319.202 3.108 20 10 DGCDRN [O-]c1cccc(F)c1C[NH+]1CCC(Cc2ccncc2)CC1 ZINC001137840247 1095758481 /nfs/dbraw/zinc/75/84/81/1095758481.db2.gz UQVHECNVOQAPID-UHFFFAOYSA-N 0 0 300.377 3.381 20 10 DGCDRN Cc1cccnc1O[C@@H]1CCC[N@H+](Cc2c([O-])cccc2F)C1 ZINC001137841754 1095760897 /nfs/dbraw/zinc/76/08/97/1095760897.db2.gz SXSSBCWUVOBZFI-CQSZACIVSA-N 0 0 316.376 3.278 20 10 DGCDRN COC(=O)[C@@H](C)N(C)Cc1cc(C)n(-c2ccccc2)c1C ZINC001137858008 1095769523 /nfs/dbraw/zinc/76/95/23/1095769523.db2.gz SMAHBGPRAZTWNM-OAHLLOKOSA-N 0 0 300.402 3.087 20 10 DGCDRN CCC[C@@](C)(CO)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001137870677 1095773961 /nfs/dbraw/zinc/77/39/61/1095773961.db2.gz YHYIJUAAQOOSQP-IBGZPJMESA-N 0 0 314.429 3.375 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)c1cccc(F)c1F ZINC001117507681 1095775070 /nfs/dbraw/zinc/77/50/70/1095775070.db2.gz SUOAZEOAUYHAHS-UHFFFAOYSA-N 0 0 309.659 3.407 20 10 DGCDRN O=C1NCc2c1cccc2NCc1ccc(N2CCCC2)cc1 ZINC001117627887 1095788345 /nfs/dbraw/zinc/78/83/45/1095788345.db2.gz BCEPAGDNBIYAJU-UHFFFAOYSA-N 0 0 307.397 3.142 20 10 DGCDRN Cc1ccc(OCCC(=O)NCc2c(C)cc(C)cc2O)cc1 ZINC001144764995 1095808144 /nfs/dbraw/zinc/80/81/44/1095808144.db2.gz WKAUMPHIDVHTJS-UHFFFAOYSA-N 0 0 313.397 3.403 20 10 DGCDRN [O-]c1c(CN2CC3(C2)CC[N@@H+](C2CCCC2)C3)ccc(F)c1F ZINC001276856859 1095836265 /nfs/dbraw/zinc/83/62/65/1095836265.db2.gz LOTCLWRYGIAZII-UHFFFAOYSA-N 0 0 322.399 3.121 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1nc(C)ncc1C ZINC001117777611 1095850495 /nfs/dbraw/zinc/85/04/95/1095850495.db2.gz WUVTTZRKOZCJRL-UHFFFAOYSA-N 0 0 314.389 3.243 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H](C)CCCO)cc1 ZINC001117810375 1095877031 /nfs/dbraw/zinc/87/70/31/1095877031.db2.gz CWFXTZGJUZWUGO-CQSZACIVSA-N 0 0 314.429 3.233 20 10 DGCDRN COc1ccccc1C1(C(=O)NCCc2ccc(N)cc2)CCC1 ZINC001118144318 1095947451 /nfs/dbraw/zinc/94/74/51/1095947451.db2.gz VXZZCDXBGDFUCZ-UHFFFAOYSA-N 0 0 324.424 3.058 20 10 DGCDRN CN(C(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)O1)c1ccc(N)cc1 ZINC001340846875 1096049701 /nfs/dbraw/zinc/04/97/01/1096049701.db2.gz GYYVDBFMPFBDHF-STQMWFEESA-N 0 0 316.323 3.122 20 10 DGCDRN Cc1ccc(C(=O)Nc2cnc3c(F)cccc3c2)c(O)c1O ZINC001146491588 1096053782 /nfs/dbraw/zinc/05/37/82/1096053782.db2.gz FACLHDPOQNNSBG-UHFFFAOYSA-N 0 0 312.300 3.346 20 10 DGCDRN CO[C@H](C)CNC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001146543051 1096058377 /nfs/dbraw/zinc/05/83/77/1096058377.db2.gz NSZJQZMMPFIKGJ-OAHLLOKOSA-N 0 0 300.402 3.167 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C/c1ccccn1 ZINC000127041680 1096085053 /nfs/dbraw/zinc/08/50/53/1096085053.db2.gz PRUQNAQFAHWKLU-JLHYYAGUSA-N 0 0 309.413 3.210 20 10 DGCDRN CS[C@H]1CCC[C@@H](NC(=O)N[C@@H](C)c2ccccc2O)C1 ZINC001119146759 1096136399 /nfs/dbraw/zinc/13/63/99/1096136399.db2.gz XCWBKRXPHIUHJO-XQQFMLRXSA-N 0 0 308.447 3.427 20 10 DGCDRN C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC001119152562 1096137460 /nfs/dbraw/zinc/13/74/60/1096137460.db2.gz ZYHUWPNYUCGWHN-HKUYNNGSSA-N 0 0 308.381 3.148 20 10 DGCDRN O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1cc2cc(O)c(O)cc2s1 ZINC001147563684 1096246821 /nfs/dbraw/zinc/24/68/21/1096246821.db2.gz IMICCDGVOCUDPS-SCVCMEIPSA-N 0 0 317.410 3.479 20 10 DGCDRN CC[C@H](C)Oc1cc(C(=O)NCc2cc(C)ccc2O)ccn1 ZINC001147956257 1096297011 /nfs/dbraw/zinc/29/70/11/1096297011.db2.gz BFLCOKNMQLXADO-ZDUSSCGKSA-N 0 0 314.385 3.203 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCc2c(oc3ccccc32)C1 ZINC001148219016 1096327645 /nfs/dbraw/zinc/32/76/45/1096327645.db2.gz RKNNECRSLSQUFO-UHFFFAOYSA-N 0 0 309.321 3.043 20 10 DGCDRN Cc1ccc(OC(C)C)cc1NC(=O)c1cccc(O)c1O ZINC001148218691 1096328676 /nfs/dbraw/zinc/32/86/76/1096328676.db2.gz HDYUALVEVUWFAT-UHFFFAOYSA-N 0 0 301.342 3.446 20 10 DGCDRN O=C(Nc1cncc(-c2ccccc2)c1)c1cc(O)c(O)c(O)c1 ZINC001148583054 1096407468 /nfs/dbraw/zinc/40/74/68/1096407468.db2.gz QUHONYIRVAHJER-UHFFFAOYSA-N 0 0 322.320 3.118 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)c2noc(C)n2)cc1 ZINC000129059014 1096441907 /nfs/dbraw/zinc/44/19/07/1096441907.db2.gz MRKCHTPONVGPJJ-ZDUSSCGKSA-N 0 0 324.384 3.277 20 10 DGCDRN CCCCC[C@@H](Oc1c(O)c(O)c(O)c(O)c1O)C(C)C ZINC001226468399 1096697032 /nfs/dbraw/zinc/69/70/32/1096697032.db2.gz NKZBVEGXSLAQFD-SECBINFHSA-N 0 0 300.351 3.198 20 10 DGCDRN CCC[C@@H](CCO)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001171528951 1096919294 /nfs/dbraw/zinc/91/92/94/1096919294.db2.gz RLECKUQQNKFVGE-KRWDZBQOSA-N 0 0 314.429 3.375 20 10 DGCDRN C[C@@H]1CCC[C@H](CNC(=O)NCc2c(O)cccc2F)[C@H]1C ZINC001227439342 1096933098 /nfs/dbraw/zinc/93/30/98/1096933098.db2.gz WCORREYKDUBYEN-FRRDWIJNSA-N 0 0 308.397 3.403 20 10 DGCDRN C[C@H](Oc1c(O)ccc2c1C(=O)c1ccccc1C2=O)C1CC1 ZINC001227581130 1096954671 /nfs/dbraw/zinc/95/46/71/1096954671.db2.gz XGRGPGCZNQSOII-JTQLQIEISA-N 0 0 308.333 3.345 20 10 DGCDRN C[C@H](NC(=O)CCn1cnc2ccccc21)c1ccccc1O ZINC001171729401 1096957159 /nfs/dbraw/zinc/95/71/59/1096957159.db2.gz BRCQRDFTPNMYJQ-ZDUSSCGKSA-N 0 0 309.369 3.009 20 10 DGCDRN CC[C@H](COc1c(O)c(O)ccc1C(=O)c1ccccc1)OC ZINC001227939906 1097017348 /nfs/dbraw/zinc/01/73/48/1097017348.db2.gz FUHNWIAFDBQRJJ-CYBMUJFWSA-N 0 0 316.353 3.133 20 10 DGCDRN C[C@H]1CC[C@@H](COc2cccc3c2C(=O)c2ccccc2C3=O)O1 ZINC001228072562 1097045290 /nfs/dbraw/zinc/04/52/90/1097045290.db2.gz BFEFXRYGSHBKPQ-STQMWFEESA-N 0 0 322.360 3.408 20 10 DGCDRN CC[C@@H](C)Oc1c(O)c(O)ccc1C(=O)c1ccc(O)cc1 ZINC001228113754 1097053415 /nfs/dbraw/zinc/05/34/15/1097053415.db2.gz DNDRWMNJLMSQEF-SNVBAGLBSA-N 0 0 302.326 3.212 20 10 DGCDRN CC(=O)N1CC(Oc2ccccc2NN=C2C=CC=CC2=O)C1 ZINC001228418667 1097116939 /nfs/dbraw/zinc/11/69/39/1097116939.db2.gz KFTJAAJRTZLKKG-VHEBQXMUSA-N 0 0 311.341 3.417 20 10 DGCDRN COc1ccc(-c2noc(-c3nnsc3C3CC3)n2)cc1F ZINC001212679415 1097226461 /nfs/dbraw/zinc/22/64/61/1097226461.db2.gz BCZLERODDQQYIJ-UHFFFAOYSA-N 0 0 318.333 3.280 20 10 DGCDRN COc1ccc(F)c(-c2noc(-c3nnsc3C3CC3)n2)c1 ZINC001212679779 1097228740 /nfs/dbraw/zinc/22/87/40/1097228740.db2.gz UMEMIFCQXXWKBT-UHFFFAOYSA-N 0 0 318.333 3.280 20 10 DGCDRN Cc1cc(C)c(-c2noc(-c3nnsc3C(C)C)n2)cn1 ZINC001212687462 1097260767 /nfs/dbraw/zinc/26/07/67/1097260767.db2.gz USTYJBPTPXARHV-UHFFFAOYSA-N 0 0 301.375 3.390 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCCC1CC1 ZINC001230194388 1097456257 /nfs/dbraw/zinc/45/62/57/1097456257.db2.gz AIJVKGIGBHKTQL-OAHLLOKOSA-N 0 0 317.477 3.481 20 10 DGCDRN COc1ccc(CNC(=O)N[C@H](C)c2ccccc2O)c(F)c1 ZINC001230327241 1097476725 /nfs/dbraw/zinc/47/67/25/1097476725.db2.gz QUVDDJAIPHPCTI-LLVKDONJSA-N 0 0 318.348 3.100 20 10 DGCDRN COc1cc(-n2c(=N)ccc(/N=N/c3ccccc3)c2N)ccn1 ZINC001174303009 1097661642 /nfs/dbraw/zinc/66/16/42/1097661642.db2.gz DIDVAYDQQLIZLF-XSRZAUOLSA-N 0 0 320.356 3.358 20 10 DGCDRN Cc1ccc2c(c1Nc1cncnc1)C(=O)c1ccccc1C2=O ZINC001174386650 1097705128 /nfs/dbraw/zinc/70/51/28/1097705128.db2.gz JGJBBNXABRALEU-UHFFFAOYSA-N 0 0 315.332 3.304 20 10 DGCDRN O=C([O-])c1ccc(C[NH+]2CCC3(CC[C@@H](F)C3)CC2)c(O)c1 ZINC001231452122 1097752514 /nfs/dbraw/zinc/75/25/14/1097752514.db2.gz AORISQBAIYHKSU-CQSZACIVSA-N 0 0 307.365 3.195 20 10 DGCDRN O=C([O-])c1ccc(C[N@@H+]2CC[C@@H](C3CCCCC3)C2)c(O)c1 ZINC001231455441 1097752989 /nfs/dbraw/zinc/75/29/89/1097752989.db2.gz NVRJJIPMNYCSAJ-OAHLLOKOSA-N 0 0 303.402 3.493 20 10 DGCDRN COC1(C)CN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001231465522 1097754731 /nfs/dbraw/zinc/75/47/31/1097754731.db2.gz DLTSRELJQVRBBL-UHFFFAOYSA-N 0 0 313.397 3.192 20 10 DGCDRN O=C1CCCN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001231469003 1097754928 /nfs/dbraw/zinc/75/49/28/1097754928.db2.gz LVRSHXLUVIRBCC-UHFFFAOYSA-N 0 0 311.381 3.136 20 10 DGCDRN COCCn1cc(N(c2ccc(N)cc2)c2ccc(N)cc2)cn1 ZINC001174552267 1097775931 /nfs/dbraw/zinc/77/59/31/1097775931.db2.gz DDCTUZPNARZLAW-UHFFFAOYSA-N 0 0 323.400 3.164 20 10 DGCDRN C[C@@]1(CO)CC(F)(F)CN1Cc1c(O)ccc2ccccc21 ZINC001231586133 1097786255 /nfs/dbraw/zinc/78/62/55/1097786255.db2.gz ATGRREBLWZKULK-INIZCTEOSA-N 0 0 307.340 3.137 20 10 DGCDRN Cc1cccc(CN2CC[C@@H](N3CCCC3)C(F)(F)C2)c1O ZINC001231594501 1097788407 /nfs/dbraw/zinc/78/84/07/1097788407.db2.gz GRMJSJYUTJBIDN-OAHLLOKOSA-N 0 0 310.388 3.006 20 10 DGCDRN Cc1nc([C@@H]2CCCCN2Cc2c(C)cc(C)cc2O)no1 ZINC001231846148 1097861643 /nfs/dbraw/zinc/86/16/43/1097861643.db2.gz GVISLMQUTGBLDN-HNNXBMFYSA-N 0 0 301.390 3.428 20 10 DGCDRN COc1cc(N(C)C)ccc1CN1CCC[C@H]1c1cc(C)on1 ZINC001231848055 1097863323 /nfs/dbraw/zinc/86/33/23/1097863323.db2.gz FSZBLWXWNVUZSC-KRWDZBQOSA-N 0 0 315.417 3.395 20 10 DGCDRN CC(C)(C)OC(=O)N1CCC(=CNc2cccc(O)c2O)CC1 ZINC001174845786 1097865782 /nfs/dbraw/zinc/86/57/82/1097865782.db2.gz ATMGZRSNOAVXNV-UHFFFAOYSA-N 0 0 320.389 3.425 20 10 DGCDRN Cc1cc(O)c(CN2C[C@@H]3C[C@H]2[C@H](C(F)(F)F)O3)cc1Cl ZINC001231869951 1097869812 /nfs/dbraw/zinc/86/98/12/1097869812.db2.gz BRIHDQWYPNIWHW-XHVZSJERSA-N 0 0 321.726 3.258 20 10 DGCDRN Cc1cc(O)c(CN2CCC[C@@H]2c2ncccn2)cc1Cl ZINC001231871690 1097871533 /nfs/dbraw/zinc/87/15/33/1097871533.db2.gz POXGBALRAQJEQG-CQSZACIVSA-N 0 0 303.793 3.481 20 10 DGCDRN Cc1cc(O)c(CN2CCC[C@H]2c2ncccn2)cc1Cl ZINC001231871688 1097872532 /nfs/dbraw/zinc/87/25/32/1097872532.db2.gz POXGBALRAQJEQG-AWEZNQCLSA-N 0 0 303.793 3.481 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCc2cc(CO)ccc2C1 ZINC001231910696 1097890883 /nfs/dbraw/zinc/89/08/83/1097890883.db2.gz QYCKVFYSVTXQBK-UHFFFAOYSA-N 0 0 303.789 3.096 20 10 DGCDRN Clc1cc(CN2CC3(CCC3)C2)ccc1N1CCOCC1 ZINC001232194739 1097962034 /nfs/dbraw/zinc/96/20/34/1097962034.db2.gz LMBCXWSFMMIABO-UHFFFAOYSA-N 0 0 306.837 3.163 20 10 DGCDRN COc1cc(O)c(CN2CC3(C2)CC(F)(F)C3)cc1Cl ZINC001232265871 1097987156 /nfs/dbraw/zinc/98/71/56/1097987156.db2.gz GQBGJXCCQYXSEE-UHFFFAOYSA-N 0 0 303.736 3.285 20 10 DGCDRN Nc1ccc2c(c1Nc1cncs1)C(=O)c1ccccc1C2=O ZINC001175498129 1098064370 /nfs/dbraw/zinc/06/43/70/1098064370.db2.gz POALFRRUAIJNFV-UHFFFAOYSA-N 0 0 321.361 3.244 20 10 DGCDRN Oc1cc(CN2CCC[C@H]2c2ccc(F)cc2)cc(O)c1O ZINC001233010845 1098202926 /nfs/dbraw/zinc/20/29/26/1098202926.db2.gz VSTVWEFSRYKAQT-AWEZNQCLSA-N 0 0 303.333 3.280 20 10 DGCDRN Oc1cc(CN2CCC[C@H]2c2ccc(F)cc2F)cc(O)c1O ZINC001233015335 1098203501 /nfs/dbraw/zinc/20/35/01/1098203501.db2.gz KUVOKCQLPNIDTH-AWEZNQCLSA-N 0 0 321.323 3.419 20 10 DGCDRN Oc1cc(CN2CCC[C@@H]2c2cc(F)cc(F)c2)cc(O)c1O ZINC001233015845 1098204138 /nfs/dbraw/zinc/20/41/38/1098204138.db2.gz GWWNHIUKAVTLFP-CQSZACIVSA-N 0 0 321.323 3.419 20 10 DGCDRN [O-]c1cc(Br)cc(F)c1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001233031377 1098206815 /nfs/dbraw/zinc/20/68/15/1098206815.db2.gz CKIFAVBRCMIEIO-WCBMZHEXSA-N 0 0 300.171 3.278 20 10 DGCDRN Nc1cccc2c1C(=O)c1cccc(Nc3cscn3)c1C2=O ZINC001175945582 1098223340 /nfs/dbraw/zinc/22/33/40/1098223340.db2.gz RWPAXLMWNLSSSF-UHFFFAOYSA-N 0 0 321.361 3.244 20 10 DGCDRN CC(=O)N1CC=C(Nc2ccccc2Cc2ccc(N)cc2)CC1 ZINC001176036512 1098239868 /nfs/dbraw/zinc/23/98/68/1098239868.db2.gz WHKLCUIGADZENR-UHFFFAOYSA-N 0 0 321.424 3.408 20 10 DGCDRN N=c1ccc(N=Nc2ccccc2)c(N)n1-c1ccc(=O)[nH]c1 ZINC001176126682 1098267866 /nfs/dbraw/zinc/26/78/66/1098267866.db2.gz TYCHWEWQJMEDEU-ZDHCPWPQSA-N 0 0 306.329 3.055 20 10 DGCDRN Oc1cc2c(cc1O)C[N@H+](Cc1ccc([S-])cc1)CCC2 ZINC001233262093 1098268197 /nfs/dbraw/zinc/26/81/97/1098268197.db2.gz QGKZMVAIZRHQKW-UHFFFAOYSA-N 0 0 301.411 3.335 20 10 DGCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001233334649 1098291684 /nfs/dbraw/zinc/29/16/84/1098291684.db2.gz OQLKXZROBKJQOQ-CYBMUJFWSA-N 0 0 304.340 3.273 20 10 DGCDRN CC(C)(O)C[N@H+](Cc1ccccc1)Cc1c([O-])ccc(F)c1F ZINC001233335614 1098292212 /nfs/dbraw/zinc/29/22/12/1098292212.db2.gz DDZJNVCKGVNVTM-UHFFFAOYSA-N 0 0 321.367 3.444 20 10 DGCDRN COC(=O)c1cccc(CN(C)Cc2c(O)ccc(F)c2F)c1 ZINC001233336051 1098293120 /nfs/dbraw/zinc/29/31/20/1098293120.db2.gz WWVKFRYYSNYNQF-UHFFFAOYSA-N 0 0 321.323 3.089 20 10 DGCDRN C[C@@H]1C(=O)CCN(Cc2c(O)ccc(F)c2F)C12CCCC2 ZINC001233336362 1098294628 /nfs/dbraw/zinc/29/46/28/1098294628.db2.gz JJELYBJEPGHTKW-LLVKDONJSA-N 0 0 309.356 3.394 20 10 DGCDRN CN(C)c1ncc(N(c2ccc(N)cc2)c2ccc(N)cc2)cn1 ZINC001176333432 1098315039 /nfs/dbraw/zinc/31/50/39/1098315039.db2.gz LHVDMYZFONRPIZ-UHFFFAOYSA-N 0 0 320.400 3.177 20 10 DGCDRN CC1(C)C[N@H+](Cc2cccc(C(F)(F)F)c2[O-])[C@](C)(CO)C1 ZINC001233415833 1098322815 /nfs/dbraw/zinc/32/28/15/1098322815.db2.gz JWZHDYQTEPZXPB-HNNXBMFYSA-N 0 0 317.351 3.394 20 10 DGCDRN C[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CCC[C@]1(C)O ZINC001233415684 1098323576 /nfs/dbraw/zinc/32/35/76/1098323576.db2.gz FQLCKUBNFNJCOI-NHYWBVRUSA-N 0 0 317.351 3.394 20 10 DGCDRN CN(Cc1cscn1)Cc1cccc(C(F)(F)F)c1O ZINC001233418293 1098324959 /nfs/dbraw/zinc/32/49/59/1098324959.db2.gz ANNVVUODVLFAEQ-UHFFFAOYSA-N 0 0 302.321 3.500 20 10 DGCDRN Cc1ncc(C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2O)cn1 ZINC001233455014 1098339771 /nfs/dbraw/zinc/33/97/71/1098339771.db2.gz SEZHLZGOKMOGCP-UHFFFAOYSA-N 0 0 311.307 3.141 20 10 DGCDRN Nc1ccc(N(CCO)c2cc(F)cc(N3CCCC3)c2)cc1 ZINC001176419267 1098349375 /nfs/dbraw/zinc/34/93/75/1098349375.db2.gz UPGKLGKLCXVHLB-UHFFFAOYSA-N 0 0 315.392 3.139 20 10 DGCDRN CCN1CCc2cc(O[C@H]3CCC[C@@H](C(=O)OC)C3)ccc21 ZINC001233601016 1098386938 /nfs/dbraw/zinc/38/69/38/1098386938.db2.gz FJFFCSQPSNXUKO-CABCVRRESA-N 0 0 303.402 3.180 20 10 DGCDRN C[C@@H](C(=O)NCc1cccc(O)c1O)c1cccc(Cl)c1 ZINC001176565892 1098388365 /nfs/dbraw/zinc/38/83/65/1098388365.db2.gz PMWTVQMGSCOUPW-SNVBAGLBSA-N 0 0 305.761 3.171 20 10 DGCDRN COc1cc2ccccc2cc1C(=O)NCc1cc(O)ccc1O ZINC001176748325 1098418617 /nfs/dbraw/zinc/41/86/17/1098418617.db2.gz OWWBSJQFBCPUBR-UHFFFAOYSA-N 0 0 323.348 3.190 20 10 DGCDRN Cc1cccc2c1CC[C@H]2Oc1nc[nH]c2cc(=O)c(O)cc1-2 ZINC001233949478 1098465089 /nfs/dbraw/zinc/46/50/89/1098465089.db2.gz IQIBLIUNDTZLQY-QGZVFWFLSA-N 0 0 308.337 3.416 20 10 DGCDRN Cc1ccnn1CC(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001177050946 1098467600 /nfs/dbraw/zinc/46/76/00/1098467600.db2.gz BMNWUEXZFNMGKO-UHFFFAOYSA-N 0 0 320.396 3.007 20 10 DGCDRN CO[C@H](C)CCOc1cc(N2CCCCC2)ccc1[N+](=O)[O-] ZINC001234369637 1098543688 /nfs/dbraw/zinc/54/36/88/1098543688.db2.gz WLKIYUXXAOGZSX-CYBMUJFWSA-N 0 0 308.378 3.389 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1O[C@H]1CCc2c1nccc2Cl ZINC001234474371 1098564402 /nfs/dbraw/zinc/56/44/02/1098564402.db2.gz RNSGIAPXBOFCJY-AWEZNQCLSA-N 0 0 319.744 3.415 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1OCc1cncc(OC(C)C)c1 ZINC001234476046 1098564658 /nfs/dbraw/zinc/56/46/58/1098564658.db2.gz KEKQUUWBSIWFND-UHFFFAOYSA-N 0 0 317.341 3.062 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1OC1CC(C)(C)N(O)C(C)(C)C1 ZINC001234474569 1098565163 /nfs/dbraw/zinc/56/51/63/1098565163.db2.gz UBIINEKKXIAYFG-UHFFFAOYSA-N 0 0 323.389 3.090 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001234476073 1098565272 /nfs/dbraw/zinc/56/52/72/1098565272.db2.gz KJHRNSBPETWPCE-SNVBAGLBSA-N 0 0 317.297 3.349 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3C[C@H](CO)CC[C@H]3C)c2c1 ZINC001234525971 1098580188 /nfs/dbraw/zinc/58/01/88/1098580188.db2.gz OKSMFTQEKGDZFP-ZIAGYGMSSA-N 0 0 315.413 3.147 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@H](O)[C@@H](C)C3)c2c1 ZINC001234526145 1098581198 /nfs/dbraw/zinc/58/11/98/1098581198.db2.gz QTXZSIFCLSQFBZ-UGSOOPFHSA-N 0 0 315.413 3.147 20 10 DGCDRN CC(C)N1CCN(Cc2cccc(-c3ccccc3)c2O)CC1=O ZINC001234998565 1098740197 /nfs/dbraw/zinc/74/01/97/1098740197.db2.gz LFHWUQWUVAZTCP-UHFFFAOYSA-N 0 0 324.424 3.112 20 10 DGCDRN CCN1C[C@@H](C)N(Cc2cccc(-c3ccccc3)c2O)CC1=O ZINC001234998048 1098741167 /nfs/dbraw/zinc/74/11/67/1098741167.db2.gz HJVNTEQBQYBWEM-OAHLLOKOSA-N 0 0 324.424 3.112 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1CN1CCCC[C@]12CCC[NH2+]C2 ZINC001235177373 1098859162 /nfs/dbraw/zinc/85/91/62/1098859162.db2.gz PNIJERCXZWNVLO-MRXNPFEDSA-N 0 0 312.816 3.293 20 10 DGCDRN COc1ccccc1C[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001178601447 1098885199 /nfs/dbraw/zinc/88/51/99/1098885199.db2.gz RZLXBIONQKVVCG-LBPRGKRZSA-N 0 0 316.357 3.030 20 10 DGCDRN C[C@@H]1CC[C@H](C(=O)N(Cc2ccccc2)c2ccc(N)cc2)O1 ZINC001178838657 1098948230 /nfs/dbraw/zinc/94/82/30/1098948230.db2.gz CYHZPKQPLPAVNL-RDTXWAMCSA-N 0 0 310.397 3.370 20 10 DGCDRN Cc1cc(C)c(CNC(=O)[C@H]2CCC(=O)c3ccccc32)c(O)c1 ZINC001178929146 1098964562 /nfs/dbraw/zinc/96/45/62/1098964562.db2.gz MLDUNLQCPKSHQL-INIZCTEOSA-N 0 0 323.392 3.386 20 10 DGCDRN O=C(CCCc1c[nH]c2ccccc12)NCc1c(O)cccc1O ZINC001178905092 1098967707 /nfs/dbraw/zinc/96/77/07/1098967707.db2.gz HDNNTZKNWFUXHD-UHFFFAOYSA-N 0 0 324.380 3.218 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1occc1-c1ccccc1 ZINC001178906034 1098967879 /nfs/dbraw/zinc/96/78/79/1098967879.db2.gz YAPZJKRYNIARRW-UHFFFAOYSA-N 0 0 309.321 3.288 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1ccc(Cl)cc1Cl ZINC001178905746 1098968108 /nfs/dbraw/zinc/96/81/08/1098968108.db2.gz SXSTZPFMKDMYIP-UHFFFAOYSA-N 0 0 312.152 3.335 20 10 DGCDRN CC1(C)CC[C@@H](O)[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001179321026 1099070936 /nfs/dbraw/zinc/07/09/36/1099070936.db2.gz OQISAZFQXRGXKV-CHWSQXEVSA-N 0 0 301.789 3.214 20 10 DGCDRN CN(C)c1ccc(/C=C\CNc2cccc3c2NC(=O)CO3)cc1 ZINC001179430283 1099091995 /nfs/dbraw/zinc/09/19/95/1099091995.db2.gz VNNUBQCQMBMJJZ-PLNGDYQASA-N 0 0 323.396 3.209 20 10 DGCDRN Cc1noc([C@H]2CC[N@H+](Cc3ccc(C(C)(C)C)cc3O)C2)n1 ZINC001235677745 1099120501 /nfs/dbraw/zinc/12/05/01/1099120501.db2.gz GZCHRJLDDXZJFN-AWEZNQCLSA-N 0 0 315.417 3.371 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(C2CCC2)nc1 ZINC001179683704 1099176165 /nfs/dbraw/zinc/17/61/65/1099176165.db2.gz ZMBRPKOSSMASIS-WEVVVXLNSA-N 0 0 310.353 3.412 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CC2(C1)CCCC[NH2+]2 ZINC001235924556 1099260835 /nfs/dbraw/zinc/26/08/35/1099260835.db2.gz UUHIVBIDUIWXPN-UHFFFAOYSA-N 0 0 301.217 3.027 20 10 DGCDRN COc1cc(C)c(CN2CCOC[C@@H]2c2ccccc2)c(O)c1 ZINC001180059301 1099296381 /nfs/dbraw/zinc/29/63/81/1099296381.db2.gz WWCBIHFLLZSMOR-GOSISDBHSA-N 0 0 313.397 3.283 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)NC2CC3(C2)CC(F)(F)C3)cc1 ZINC001180129960 1099308812 /nfs/dbraw/zinc/30/88/12/1099308812.db2.gz OOUSHHIWJUYUOL-VMPITWQZSA-N 0 0 320.383 3.460 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)N2CC[C@@H](c3cccnc3)C2)cc1 ZINC001180125650 1099322808 /nfs/dbraw/zinc/32/28/08/1099322808.db2.gz LMYRXTMSPAYMGQ-RUJXFNLJSA-N 0 0 321.424 3.177 20 10 DGCDRN CC(=O)c1cccc(O)c1NC(=O)C=Cc1ccc(N(C)C)cc1 ZINC001180128324 1099325108 /nfs/dbraw/zinc/32/51/08/1099325108.db2.gz JOVDJPWJEUOYKD-FMIVXFBMSA-N 0 0 324.380 3.313 20 10 DGCDRN Nc1ccc2c(c1)CN(Cc1c(O)ccc(F)c1Cl)CC2 ZINC001236234335 1099488127 /nfs/dbraw/zinc/48/81/27/1099488127.db2.gz OKNYDEUSFBOGMK-UHFFFAOYSA-N 0 0 306.768 3.325 20 10 DGCDRN Nc1ccc(-c2ncnc3c2ccn3Cc2ccccc2)cn1 ZINC001236309307 1099528446 /nfs/dbraw/zinc/52/84/46/1099528446.db2.gz SYOJOWIDRBOIJD-UHFFFAOYSA-N 0 0 301.353 3.124 20 10 DGCDRN COc1ccccc1[C@H](C)C(=O)NCc1c(C)cc(C)cc1O ZINC001187690011 1099574027 /nfs/dbraw/zinc/57/40/27/1099574027.db2.gz NCAPWGHCYFJKIH-AWEZNQCLSA-N 0 0 313.397 3.438 20 10 DGCDRN COC(=O)c1ccc(NC(=O)N[C@H](C)c2ccccc2O)cc1 ZINC001187805735 1099607391 /nfs/dbraw/zinc/60/73/91/1099607391.db2.gz MRCFDMWFSDFFSH-LLVKDONJSA-N 0 0 314.341 3.062 20 10 DGCDRN Cc1nnsc1C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001187886045 1099632760 /nfs/dbraw/zinc/63/27/60/1099632760.db2.gz XWHAOJCCTGECTP-UHFFFAOYSA-N 0 0 324.409 3.276 20 10 DGCDRN Cc1cc(OC(C)C)ncc1-c1ccc2ncc(=O)n(C)c2c1 ZINC001236581212 1099688160 /nfs/dbraw/zinc/68/81/60/1099688160.db2.gz RDPDPEDIYVZPAH-UHFFFAOYSA-N 0 0 309.369 3.091 20 10 DGCDRN Cc1cc(-c2nccn2C)c(-c2cnc(OC(C)C)cc2C)nn1 ZINC001236581561 1099688567 /nfs/dbraw/zinc/68/85/67/1099688567.db2.gz DOTNKTLUFSEVNY-UHFFFAOYSA-N 0 0 323.400 3.343 20 10 DGCDRN O=C(NCc1ccco1)NCc1ccc(N2CCCCC2)cc1 ZINC001188183382 1099706349 /nfs/dbraw/zinc/70/63/49/1099706349.db2.gz PNCYRKFOLUECIO-UHFFFAOYSA-N 0 0 313.401 3.269 20 10 DGCDRN COC1(C)CN(Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001236779707 1099781709 /nfs/dbraw/zinc/78/17/09/1099781709.db2.gz VGSSOGLNJMHHDC-UHFFFAOYSA-N 0 0 313.397 3.192 20 10 DGCDRN CCOC(=O)CC[N@H+](C)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236797446 1099790040 /nfs/dbraw/zinc/79/00/40/1099790040.db2.gz XQZACXFDDHTGNB-UHFFFAOYSA-N 0 0 306.189 3.084 20 10 DGCDRN COc1cc(O)c(CN2CCc3cnccc3C2)c(Cl)c1 ZINC001236797023 1099790603 /nfs/dbraw/zinc/79/06/03/1099790603.db2.gz AXCMDCTWKSDVFR-UHFFFAOYSA-N 0 0 304.777 3.008 20 10 DGCDRN COc1ccc(C[N@@H+]2CCC[C@](C)(O)[C@H](C)C2)c([O-])c1Cl ZINC001236802538 1099797482 /nfs/dbraw/zinc/79/74/82/1099797482.db2.gz SDGVVYPIEQRYNM-BZNIZROVSA-N 0 0 313.825 3.037 20 10 DGCDRN COc1ccc(C[NH+]2CCC(n3ccnc3)CC2)c([O-])c1Cl ZINC001236805902 1099799193 /nfs/dbraw/zinc/79/91/93/1099799193.db2.gz HIJHHCJGPYYSRM-UHFFFAOYSA-N 0 0 321.808 3.088 20 10 DGCDRN COc1cc(C)c(CN2CC(Oc3ccccc3F)C2)c(O)c1 ZINC001236811584 1099804216 /nfs/dbraw/zinc/80/42/16/1099804216.db2.gz SBIHVUJYXIMLCE-UHFFFAOYSA-N 0 0 317.360 3.112 20 10 DGCDRN COc1cc(CN2CCc3cccc(O)c3C2)c(F)cc1F ZINC001236832986 1099818355 /nfs/dbraw/zinc/81/83/55/1099818355.db2.gz YIMPAVKLDGNPEH-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN CC(C)c1ccc(CN2CC(N3CCC(F)(F)C3)C2)c(O)c1 ZINC001237049768 1099945769 /nfs/dbraw/zinc/94/57/69/1099945769.db2.gz SWLKAZNDEDFAAJ-UHFFFAOYSA-N 0 0 310.388 3.041 20 10 DGCDRN C[C@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2Cl)CCC[C@H]1O ZINC001237077554 1099959206 /nfs/dbraw/zinc/95/92/06/1099959206.db2.gz IQDATMLPEFALAA-JOYOIKCWSA-N 0 0 304.217 3.292 20 10 DGCDRN COC(=O)C[C@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237085910 1099964747 /nfs/dbraw/zinc/96/47/47/1099964747.db2.gz LHGZHXKYSYVLLM-SECBINFHSA-N 0 0 318.200 3.084 20 10 DGCDRN CCCCOC1CN(Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237110504 1099975022 /nfs/dbraw/zinc/97/50/22/1099975022.db2.gz FIFQFKZJHNPDKJ-UHFFFAOYSA-N 0 0 319.323 3.292 20 10 DGCDRN Oc1cccc(OC(F)(F)F)c1CN1CCOCC12CCC2 ZINC001237123389 1099982979 /nfs/dbraw/zinc/98/29/79/1099982979.db2.gz QMJBURYTOYZZQX-UHFFFAOYSA-N 0 0 317.307 3.046 20 10 DGCDRN Oc1ccc(C(F)(F)F)cc1CN1CCOCC12CCC2 ZINC001237139073 1099988403 /nfs/dbraw/zinc/98/84/03/1099988403.db2.gz CJKLYCKOBMUEJN-UHFFFAOYSA-N 0 0 301.308 3.166 20 10 DGCDRN Oc1ccc(C(F)(F)F)cc1CN1CC2(C1)C[C@H](F)CS2 ZINC001237140708 1099990386 /nfs/dbraw/zinc/99/03/86/1099990386.db2.gz NXEXEYQOKIQJHU-NSHDSACASA-N 0 0 321.339 3.440 20 10 DGCDRN CC(C)O[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237143754 1099993585 /nfs/dbraw/zinc/99/35/85/1099993585.db2.gz NUFIAAGMJIZLNX-CYBMUJFWSA-N 0 0 303.324 3.410 20 10 DGCDRN CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cc(C(F)(F)F)ccc1O ZINC001237146587 1099996770 /nfs/dbraw/zinc/99/67/70/1099996770.db2.gz VEKZOYDBEPQGQB-ZDUSSCGKSA-N 0 0 303.324 3.146 20 10 DGCDRN CCCCC[NH+]1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001237621075 1100190953 /nfs/dbraw/zinc/19/09/53/1100190953.db2.gz SUFRMINFWPOKIL-UHFFFAOYSA-N 0 0 314.832 3.493 20 10 DGCDRN C[C@]1(CO)CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237642080 1100198988 /nfs/dbraw/zinc/19/89/88/1100198988.db2.gz YXOIDDZMKXNVBA-IBGZPJMESA-N 0 0 315.388 3.403 20 10 DGCDRN Cc1cc(O)c(CN2C[C@H](F)C[C@H]2C)cc1Br ZINC001237676091 1100210632 /nfs/dbraw/zinc/21/06/32/1100210632.db2.gz DZZAKYUCROIUHS-MWLCHTKSSA-N 0 0 302.187 3.395 20 10 DGCDRN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@](O)(CF)CC2)c1O ZINC001237681266 1100213119 /nfs/dbraw/zinc/21/31/19/1100213119.db2.gz MEIZYYHGZHFWSG-HNNXBMFYSA-N 0 0 301.789 3.041 20 10 DGCDRN C[N@H+](Cc1cnc2ccccn12)Cc1cc(F)cc(Cl)c1[O-] ZINC001237807471 1100253749 /nfs/dbraw/zinc/25/37/49/1100253749.db2.gz JXTIXUQNRBMDQG-UHFFFAOYSA-N 0 0 319.767 3.464 20 10 DGCDRN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC001237939260 1100299167 /nfs/dbraw/zinc/29/91/67/1100299167.db2.gz ADSKUVNDLZCRDQ-CYBMUJFWSA-N 0 0 322.767 3.233 20 10 DGCDRN [O-]c1cc(Cl)c(F)cc1C[N@H+](CCO)Cc1ccccc1 ZINC001237946906 1100299381 /nfs/dbraw/zinc/29/93/81/1100299381.db2.gz OOVATWXGCIKUHP-UHFFFAOYSA-N 0 0 309.768 3.179 20 10 DGCDRN CCCCNC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001190582596 1100300351 /nfs/dbraw/zinc/30/03/51/1100300351.db2.gz WJEDVGWXMOWQRY-UHFFFAOYSA-N 0 0 322.364 3.384 20 10 DGCDRN Cc1cc(F)cc(C[N@H+](C)C[C@H]2Cc3ccccc3O2)c1O ZINC001238066779 1100348199 /nfs/dbraw/zinc/34/81/99/1100348199.db2.gz PZYIPFJKWVPUHB-MRXNPFEDSA-N 0 0 301.361 3.275 20 10 DGCDRN COc1cc(C(=O)Nc2cccc3cccc(N)c32)cc(O)c1O ZINC001193105094 1100706127 /nfs/dbraw/zinc/70/61/27/1100706127.db2.gz YRQWPXLJCMABCZ-UHFFFAOYSA-N 0 0 324.336 3.094 20 10 DGCDRN CCN(CC)C(=O)c1csc(-c2ccc(N(C)C)cc2)n1 ZINC001193160785 1100714247 /nfs/dbraw/zinc/71/42/47/1100714247.db2.gz CYJIWXNMPLFYLI-UHFFFAOYSA-N 0 0 303.431 3.358 20 10 DGCDRN Cc1ccncc1-c1ncnc2c1ccn2COC(=O)C(C)(C)C ZINC001239972340 1100817328 /nfs/dbraw/zinc/81/73/28/1100817328.db2.gz MRYNMBJEOOXCDA-UHFFFAOYSA-N 0 0 324.384 3.349 20 10 DGCDRN Cc1cccc(S(=O)(=O)N2Cc3cccc(O)c3C2)c1Cl ZINC001193959415 1100845361 /nfs/dbraw/zinc/84/53/61/1100845361.db2.gz NLYYMIBRPATIFN-UHFFFAOYSA-N 0 0 323.801 3.059 20 10 DGCDRN O=C(c1cccnc1-c1cncc(F)c1)N1CCc2ccccc21 ZINC001240233978 1100903926 /nfs/dbraw/zinc/90/39/26/1100903926.db2.gz HNBNHMFKLIONGW-UHFFFAOYSA-N 0 0 319.339 3.486 20 10 DGCDRN Cn1c(=O)cnc2ccc(-c3ccc(C(F)(F)F)nc3)cc21 ZINC001240269254 1100917450 /nfs/dbraw/zinc/91/74/50/1100917450.db2.gz XQRYKJHWDKZMMJ-UHFFFAOYSA-N 0 0 305.259 3.014 20 10 DGCDRN Cc1nn(C)cc1-c1ncnc2c1ccn2Cc1ccccc1 ZINC001240300165 1100931744 /nfs/dbraw/zinc/93/17/44/1100931744.db2.gz ZIWQUOTVVGAMHA-UHFFFAOYSA-N 0 0 303.369 3.189 20 10 DGCDRN COc1ccc(CN2CCCc3cc(O)c(O)cc3C2)cc1F ZINC001203795601 1100953576 /nfs/dbraw/zinc/95/35/76/1100953576.db2.gz MGEKNZCCDJIJCT-UHFFFAOYSA-N 0 0 317.360 3.194 20 10 DGCDRN Fc1ccc(Cn2ccc3c2ncnc3-c2cncnc2)cc1 ZINC001240372631 1100964920 /nfs/dbraw/zinc/96/49/20/1100964920.db2.gz HPZCJXZFOYHLMW-UHFFFAOYSA-N 0 0 305.316 3.076 20 10 DGCDRN CCOC(=O)c1cnc2ncc(-c3ccc4ccn(C)c4c3)cn12 ZINC001240574014 1101055528 /nfs/dbraw/zinc/05/55/28/1101055528.db2.gz ONMVXVVQAGDURZ-UHFFFAOYSA-N 0 0 320.352 3.065 20 10 DGCDRN Cn1ccc2ccc(-c3cnc4c(c3)OC(C)(C)C(=O)N4)cc21 ZINC001240575024 1101055637 /nfs/dbraw/zinc/05/56/37/1101055637.db2.gz PGGIRTCWBUOZIG-UHFFFAOYSA-N 0 0 307.353 3.350 20 10 DGCDRN CN(c1ccccc1-c1ccc2ccn(C)c2c1)S(C)(=O)=O ZINC001240575244 1101056226 /nfs/dbraw/zinc/05/62/26/1101056226.db2.gz VLGOXOYEFNFFQC-UHFFFAOYSA-N 0 0 314.410 3.241 20 10 DGCDRN CON(C)C(=O)c1ncc(-c2ccc3ccn(C)c3c2)cc1C ZINC001240576072 1101056716 /nfs/dbraw/zinc/05/67/16/1101056716.db2.gz BJVPFELPOQYHKF-UHFFFAOYSA-N 0 0 309.369 3.182 20 10 DGCDRN Cn1ccc2ccc(-c3cn(Cc4ccccc4)c(=O)cn3)cc21 ZINC001240575928 1101057023 /nfs/dbraw/zinc/05/70/23/1101057023.db2.gz KELJMQYTHZVSKA-UHFFFAOYSA-N 0 0 315.376 3.450 20 10 DGCDRN Cn1ccc2ccc(-c3cccn(C4CCOCC4)c3=O)cc21 ZINC001240576810 1101057153 /nfs/dbraw/zinc/05/71/53/1101057153.db2.gz MIIABZZQUNKROS-UHFFFAOYSA-N 0 0 308.381 3.359 20 10 DGCDRN Cc1ccc(F)c(CNC(=S)Nc2cc(F)ccc2C)n1 ZINC001195931873 1101223533 /nfs/dbraw/zinc/22/35/33/1101223533.db2.gz MGLPGOJCBOOEAO-UHFFFAOYSA-N 0 0 307.369 3.463 20 10 DGCDRN COc1cccnc1CNC(=S)Nc1ccc(F)cc1C ZINC001196143237 1101254781 /nfs/dbraw/zinc/25/47/81/1101254781.db2.gz IHUMOPSLPXWRLK-UHFFFAOYSA-N 0 0 305.378 3.024 20 10 DGCDRN CC(=O)c1ccc(NC(=S)NCc2ncc(F)cc2F)cc1 ZINC001196577625 1101346759 /nfs/dbraw/zinc/34/67/59/1101346759.db2.gz BRZJJLVDRUDORI-UHFFFAOYSA-N 0 0 321.352 3.049 20 10 DGCDRN CON(C)C(=O)c1ncccc1C1=CCN(c2ccccc2)CC1 ZINC001241354904 1101398377 /nfs/dbraw/zinc/39/83/77/1101398377.db2.gz QOAUGFGKOULOMH-UHFFFAOYSA-N 0 0 323.396 3.009 20 10 DGCDRN COc1ncc(C)cc1-c1ccn(Cc2ccccc2F)c(=O)c1 ZINC001241366429 1101407283 /nfs/dbraw/zinc/40/72/83/1101407283.db2.gz FDVBXZKKQVCMFN-UHFFFAOYSA-N 0 0 324.355 3.415 20 10 DGCDRN CN(C)c1ccc(-c2ccn(Cc3cccc(F)c3)c(=O)c2)cn1 ZINC001241372553 1101412810 /nfs/dbraw/zinc/41/28/10/1101412810.db2.gz RRJKQLDOSREEMA-UHFFFAOYSA-N 0 0 323.371 3.164 20 10 DGCDRN O=S(=O)(NCCF)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197186378 1101486755 /nfs/dbraw/zinc/48/67/55/1101486755.db2.gz DBVKIYBRWGAFSI-ISLYRVAYSA-N 0 0 307.350 3.350 20 10 DGCDRN COCCNS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197148302 1101488885 /nfs/dbraw/zinc/48/88/85/1101488885.db2.gz KVGHEYWIWSODCY-ISLYRVAYSA-N 0 0 319.386 3.027 20 10 DGCDRN CCOc1ncc(-c2cc(N(C)c3ccccc3)ncn2)cn1 ZINC001241549332 1101542439 /nfs/dbraw/zinc/54/24/39/1101542439.db2.gz BLISNEMLTNBYKP-UHFFFAOYSA-N 0 0 307.357 3.100 20 10 DGCDRN C[C@@H]1CC[C@@H](C[NH3+])N(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001205804633 1101562808 /nfs/dbraw/zinc/56/28/08/1101562808.db2.gz NZPLBTOGHMRPNN-SKDRFNHKSA-N 0 0 303.233 3.258 20 10 DGCDRN Oc1ccccc1CNC(=S)NCc1ccc(Cl)cc1 ZINC001197589570 1101611251 /nfs/dbraw/zinc/61/12/51/1101611251.db2.gz DBUPLMOQAMVZPP-UHFFFAOYSA-N 0 0 306.818 3.210 20 10 DGCDRN COc1c(C)ccc(F)c1C(=O)NCc1c(C)cc(C)cc1O ZINC001198272320 1101813002 /nfs/dbraw/zinc/81/30/02/1101813002.db2.gz BGRHVBYWBSNVCE-UHFFFAOYSA-N 0 0 317.360 3.395 20 10 DGCDRN COc1ccncc1-c1cc(N2CCc3ccccc32)ncn1 ZINC001242057677 1101885615 /nfs/dbraw/zinc/88/56/15/1101885615.db2.gz WJKHSTSRWRWFKI-UHFFFAOYSA-N 0 0 304.353 3.241 20 10 DGCDRN COC(=O)[C@@H](NCc1ccc(N2CCCCC2)c(C)c1)C(C)C ZINC001198506667 1101900039 /nfs/dbraw/zinc/90/00/39/1101900039.db2.gz CUUDPWZEYCJBCJ-SFHVURJKSA-N 0 0 318.461 3.273 20 10 DGCDRN CC(C)Cn1ccc(-c2cnn(Cc3cccs3)c2)cc1=O ZINC001242093148 1101905767 /nfs/dbraw/zinc/90/57/67/1101905767.db2.gz FWKGFGZNEGGKAF-UHFFFAOYSA-N 0 0 313.426 3.478 20 10 DGCDRN COC(=O)c1cc2ccc(-c3cnc(OC)c(C)c3)cc2n1C ZINC001242434574 1102131232 /nfs/dbraw/zinc/13/12/32/1102131232.db2.gz YBGQSIRODZFXDC-UHFFFAOYSA-N 0 0 310.353 3.344 20 10 DGCDRN CN(C)c1cncc(-c2ccn(Cc3cccc(F)c3)c(=O)c2)c1 ZINC001242528861 1102190887 /nfs/dbraw/zinc/19/08/87/1102190887.db2.gz QUUXAEQHWDXHIB-UHFFFAOYSA-N 0 0 323.371 3.164 20 10 DGCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)C1=CC=CC1 ZINC001199694278 1102198711 /nfs/dbraw/zinc/19/87/11/1102198711.db2.gz ZBDJMNFSFJMRNP-OYVOPSJISA-N 0 0 305.341 3.492 20 10 DGCDRN Cn1c(=O)cc(-c2cccnc2OC(F)F)c2ccccc21 ZINC001242632415 1102255858 /nfs/dbraw/zinc/25/58/58/1102255858.db2.gz RNFXQSWPGHRFKU-UHFFFAOYSA-N 0 0 302.280 3.202 20 10 DGCDRN CSc1cncc(-c2ccn(CC(F)(F)F)c(=O)c2)c1 ZINC001242948695 1102434193 /nfs/dbraw/zinc/43/41/93/1102434193.db2.gz BKDZPRGPQREXIW-UHFFFAOYSA-N 0 0 300.305 3.195 20 10 DGCDRN Cc1cc(NC(=S)NCc2ccc(O)c(O)c2)ccc1F ZINC001201045194 1102482795 /nfs/dbraw/zinc/48/27/95/1102482795.db2.gz STQQNQLWRUDKRE-UHFFFAOYSA-N 0 0 306.362 3.032 20 10 DGCDRN Cc1nc2c(ccn2C)c(-c2cc(Br)cnc2F)n1 ZINC001243078458 1102511606 /nfs/dbraw/zinc/51/16/06/1102511606.db2.gz SLTZBFRAAUCAEB-UHFFFAOYSA-N 0 0 321.153 3.240 20 10 DGCDRN COc1cccnc1CNC(=S)Nc1ccc(SC)cc1 ZINC001201189663 1102513610 /nfs/dbraw/zinc/51/36/10/1102513610.db2.gz RTOFXZPDMUHKFZ-UHFFFAOYSA-N 0 0 319.455 3.299 20 10 DGCDRN Cc1cc(C)cc(NC(=S)NCc2ncc(F)cc2F)c1 ZINC001201212154 1102521767 /nfs/dbraw/zinc/52/17/67/1102521767.db2.gz IRRIFRNMBICFTA-UHFFFAOYSA-N 0 0 307.369 3.463 20 10 DGCDRN CCOc1ccc(-c2ccn(CC3CC3)c(=O)c2)c(OCC)n1 ZINC001243156561 1102560519 /nfs/dbraw/zinc/56/05/19/1102560519.db2.gz XOQAMDOSYYXZPU-UHFFFAOYSA-N 0 0 314.385 3.118 20 10 DGCDRN CC(C)Nc1ccc(Nc2cc(N)ccc2COCCO)cc1 ZINC001201498290 1102611828 /nfs/dbraw/zinc/61/18/28/1102611828.db2.gz WRVHFLLSBKAKCG-UHFFFAOYSA-N 0 0 315.417 3.342 20 10 DGCDRN Cc1ncc(-c2ccn(Cc3cccc(F)c3)c(=O)c2)s1 ZINC001243381577 1102694795 /nfs/dbraw/zinc/69/47/95/1102694795.db2.gz PYZOUBIDMWWHPT-UHFFFAOYSA-N 0 0 300.358 3.468 20 10 DGCDRN Cn1c(=O)ccc2ccc(NCc3cc(F)cc(F)c3O)cc21 ZINC001202176157 1102873848 /nfs/dbraw/zinc/87/38/48/1102873848.db2.gz LAYKFHBVTQAKHK-UHFFFAOYSA-N 0 0 316.307 3.134 20 10 DGCDRN CN(C(N)=O)c1cccc(NCc2c(O)ccc(Cl)c2F)c1 ZINC001202233253 1102909972 /nfs/dbraw/zinc/90/99/72/1102909972.db2.gz KUSZGRWKQIGYJU-UHFFFAOYSA-N 0 0 323.755 3.312 20 10 DGCDRN Cc1cc(C(=O)N(C)C)ccc1-c1ccc(C2=S=CC=C2)nc1 ZINC001243687161 1102916453 /nfs/dbraw/zinc/91/64/53/1102916453.db2.gz SNOGDOUPLPYLSO-UHFFFAOYSA-N 0 0 322.433 3.385 20 10 DGCDRN CC(C)[C@@H](CNC(=O)Cc1ccc(N)cc1)Nc1ccccc1 ZINC001325977978 1103174256 /nfs/dbraw/zinc/17/42/56/1103174256.db2.gz ZHZSPYJFNUSEAA-GOSISDBHSA-N 0 0 311.429 3.064 20 10 DGCDRN Nc1ccc(Nc2cc(F)c(N3CCOCC3)c(F)c2)cc1 ZINC001212922423 1103356408 /nfs/dbraw/zinc/35/64/08/1103356408.db2.gz RKIBICOXIZHMIC-UHFFFAOYSA-N 0 0 305.328 3.127 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)C2(CF)CCC2)C2CC2)cc1 ZINC001326625641 1103388928 /nfs/dbraw/zinc/38/89/28/1103388928.db2.gz CDOSAIJTQHALGS-UHFFFAOYSA-N 0 0 304.409 3.383 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCC[C@@H](F)C1 ZINC001326752576 1103428379 /nfs/dbraw/zinc/42/83/79/1103428379.db2.gz OSFMEABLPIQGJF-HUUCEWRRSA-N 0 0 307.413 3.141 20 10 DGCDRN CCOc1ccc(CN(C)C(=O)C2=CC(=O)CS2)cc1OC ZINC001327644025 1103697841 /nfs/dbraw/zinc/69/78/41/1103697841.db2.gz ZSDJBUDPVQAYRO-UHFFFAOYSA-N 0 0 321.398 3.133 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(C(=O)NC(C)(C)C)C1 ZINC001202477838 1103748080 /nfs/dbraw/zinc/74/80/80/1103748080.db2.gz ZTYUMRHRJSMNGX-UHFFFAOYSA-N 0 0 315.417 3.053 20 10 DGCDRN CCCN(Cc1ccccc1O)c1ncnc2scnc21 ZINC001328011729 1103802211 /nfs/dbraw/zinc/80/22/11/1103802211.db2.gz BUINMNFYQQGEAY-UHFFFAOYSA-N 0 0 300.387 3.209 20 10 DGCDRN O=c1cccc(Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)[nH]1 ZINC001212789948 1104040838 /nfs/dbraw/zinc/04/08/38/1104040838.db2.gz KSQJWCFVUYXRSN-UHFFFAOYSA-N 0 0 316.316 3.306 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2ccccc2CC(N)=O)cn1 ZINC001245448911 1104064286 /nfs/dbraw/zinc/06/42/86/1104064286.db2.gz UXAKDXKKNUYEPC-UHFFFAOYSA-N 0 0 305.381 3.184 20 10 DGCDRN Cn1cc(-c2ccn(Cc3ccccc3)c(=O)c2)c2ccncc21 ZINC001245494974 1104087906 /nfs/dbraw/zinc/08/79/06/1104087906.db2.gz VFZHNAXOZVLAEJ-UHFFFAOYSA-N 0 0 315.376 3.450 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNc1ccc(C2(O)COC2)cc1 ZINC001202667606 1104109370 /nfs/dbraw/zinc/10/93/70/1104109370.db2.gz SGBIQARAMQCWBW-UHFFFAOYSA-N 0 0 322.408 3.317 20 10 DGCDRN Cc1cccc(CNC(=S)N[C@H](C)c2ccccc2)c1O ZINC001245552410 1104120438 /nfs/dbraw/zinc/12/04/38/1104120438.db2.gz LYBIKJPAAZLKHS-CYBMUJFWSA-N 0 0 300.427 3.426 20 10 DGCDRN COc1ccc(N(C)Cc2ccc([S@](C)=O)cc2)cc1OC ZINC001329105090 1104154353 /nfs/dbraw/zinc/15/43/53/1104154353.db2.gz OBVPKKPHEMCZGY-QFIPXVFZSA-N 0 0 319.426 3.078 20 10 DGCDRN COCCn1ccc2c1ncnc2-c1cc(SC)cnc1F ZINC001245762440 1104224747 /nfs/dbraw/zinc/22/47/47/1104224747.db2.gz DCCNZQOJRPYYOA-UHFFFAOYSA-N 0 0 318.377 3.001 20 10 DGCDRN Cc1nc(Cl)ccc1-c1ccn(Cc2ccncc2)c(=O)c1 ZINC001245774846 1104231155 /nfs/dbraw/zinc/23/11/55/1104231155.db2.gz FHPKRLPZFPZIQB-UHFFFAOYSA-N 0 0 311.772 3.315 20 10 DGCDRN Cc1nc(Cl)ccc1-c1ccn(Cc2cccnc2)c(=O)c1 ZINC001245779890 1104233694 /nfs/dbraw/zinc/23/36/94/1104233694.db2.gz ZOCWQEODALGSSE-UHFFFAOYSA-N 0 0 311.772 3.315 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)C1Cc2ccccc2C1 ZINC001329518615 1104295326 /nfs/dbraw/zinc/29/53/26/1104295326.db2.gz LRJRLIJSSVWZON-UHFFFAOYSA-N 0 0 313.744 3.230 20 10 DGCDRN Cc1cn(CC(=O)NCc2ccc(N(C)C)cc2)c2ccccc12 ZINC000050293665 1104325210 /nfs/dbraw/zinc/32/52/10/1104325210.db2.gz GCMKMWQKRMPNBP-UHFFFAOYSA-N 0 0 321.424 3.332 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H](C)Cc1cccc(O)c1)c1ccccc1O ZINC001330141200 1104487523 /nfs/dbraw/zinc/48/75/23/1104487523.db2.gz ZDTIJNXCRTUUAP-QWHCGFSZSA-N 0 0 314.385 3.089 20 10 DGCDRN CCCCN1C[C@@]2(CC1=O)CCCCN2c1ccc(OC)cc1 ZINC001274791077 1104490356 /nfs/dbraw/zinc/49/03/56/1104490356.db2.gz PQKVNHYZFZTFMN-IBGZPJMESA-N 0 0 316.445 3.457 20 10 DGCDRN CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2c1ccc(OC)c(F)c1 ZINC001274862671 1104523880 /nfs/dbraw/zinc/52/38/80/1104523880.db2.gz YJABDMXSDUILQD-DAXOMENPSA-N 0 0 320.408 3.203 20 10 DGCDRN CCCCN1CC[C@]2(CCN(c3ccc(OC)c(F)c3)C2)C1=O ZINC001274861479 1104524057 /nfs/dbraw/zinc/52/40/57/1104524057.db2.gz KCIIAPUCFLSICB-GOSISDBHSA-N 0 0 320.408 3.063 20 10 DGCDRN CCc1ccc(NC(=S)NCc2cccc(O)c2O)cc1 ZINC001247354645 1104875852 /nfs/dbraw/zinc/87/58/52/1104875852.db2.gz PXVYRVJZVQFLMW-UHFFFAOYSA-N 0 0 302.399 3.147 20 10 DGCDRN CCc1ccc(NC(=S)NCc2ccc(O)c(O)c2)cc1 ZINC001247353581 1104876365 /nfs/dbraw/zinc/87/63/65/1104876365.db2.gz BPWSSAVFOVQCOR-UHFFFAOYSA-N 0 0 302.399 3.147 20 10 DGCDRN Oc1ccc(Cc2nc(-c3cccc(F)c3F)no2)cc1O ZINC001247958753 1105021843 /nfs/dbraw/zinc/02/18/43/1105021843.db2.gz BSDPSIZHJDHDQV-UHFFFAOYSA-N 0 0 304.252 3.017 20 10 DGCDRN Oc1ccc(Cc2nc(-c3ccnc4ccccc43)no2)cc1O ZINC001247960446 1105022324 /nfs/dbraw/zinc/02/23/24/1105022324.db2.gz FGTMUBPGWALVJH-UHFFFAOYSA-N 0 0 319.320 3.287 20 10 DGCDRN CN(C)c1cccc(-c2noc(/C=C/c3ccc(O)c(O)c3)n2)c1 ZINC001247982050 1105027623 /nfs/dbraw/zinc/02/76/23/1105027623.db2.gz NJVJRMUAAIPHDQ-VQHVLOKHSA-N 0 0 323.352 3.384 20 10 DGCDRN COc1cncc(-c2noc(/C=C/c3ccc(N(C)C)cc3)n2)c1 ZINC001248039269 1105036759 /nfs/dbraw/zinc/03/67/59/1105036759.db2.gz PXZFOUKVVDYACI-RMKNXTFCSA-N 0 0 322.368 3.377 20 10 DGCDRN CC(=O)c1ccc(F)c(-c2noc(Cc3ccc(N)cc3)n2)c1 ZINC001248183567 1105062785 /nfs/dbraw/zinc/06/27/85/1105062785.db2.gz KDEAIAZKRDQHNO-UHFFFAOYSA-N 0 0 311.316 3.251 20 10 DGCDRN CN1CC2(C1)CCC[N@H+](Cc1ccc(C(C)(C)C)cc1O)C2 ZINC001276286790 1105077271 /nfs/dbraw/zinc/07/72/71/1105077271.db2.gz DZRPHBKVBQUFKP-UHFFFAOYSA-N 0 0 302.462 3.217 20 10 DGCDRN Oc1ccc(CCc2nc(-c3ccc(F)cc3F)no2)cc1O ZINC001248984457 1105209720 /nfs/dbraw/zinc/20/97/20/1105209720.db2.gz TVAWIYOWHSEEQO-UHFFFAOYSA-N 0 0 318.279 3.211 20 10 DGCDRN CC1(C)C=Cc2c(O)c(CN3Cc4ccncc4C3)ccc2O1 ZINC001249244462 1105256527 /nfs/dbraw/zinc/25/65/27/1105256527.db2.gz HIUREWLQYPSDPZ-UHFFFAOYSA-N 0 0 308.381 3.487 20 10 DGCDRN CCc1cccc(C)c1NC(=S)NCc1cccc(O)c1O ZINC001249572041 1105318907 /nfs/dbraw/zinc/31/89/07/1105318907.db2.gz BYHICBUQQHYCJD-UHFFFAOYSA-N 0 0 316.426 3.455 20 10 DGCDRN CCOc1ccc(N2CCN(Cc3cc(C)sn3)CC2)cc1 ZINC001249590532 1105325778 /nfs/dbraw/zinc/32/57/78/1105325778.db2.gz JZOLGLADTRUBRY-UHFFFAOYSA-N 0 0 317.458 3.172 20 10 DGCDRN Cc1cccc(CC[NH2+]Cc2cccc(Br)c2[O-])n1 ZINC000689445505 1105413743 /nfs/dbraw/zinc/41/37/43/1105413743.db2.gz PRSDYAKHJYAYSQ-UHFFFAOYSA-N 0 0 321.218 3.190 20 10 DGCDRN Cc1cc(CN2CCC(=O)C[C@@H]2C)c(O)cc1Br ZINC001250120558 1105445785 /nfs/dbraw/zinc/44/57/85/1105445785.db2.gz IQPLDMVLPANSKJ-JTQLQIEISA-N 0 0 312.207 3.017 20 10 DGCDRN Cc1cc(CN(C)Cc2ccon2)c(O)cc1Br ZINC001250133176 1105450301 /nfs/dbraw/zinc/45/03/01/1105450301.db2.gz JNBPSQPNHZSOMN-UHFFFAOYSA-N 0 0 311.179 3.083 20 10 DGCDRN CC[C@H](C)[C@H](O)CNC(=O)c1sccc1-n1c(C)ccc1C ZINC001137355933 1105497130 /nfs/dbraw/zinc/49/71/30/1105497130.db2.gz TXHSLEMSWXLWLA-XHDPSFHLSA-N 0 0 320.458 3.292 20 10 DGCDRN Cc1c(C(=O)NCc2ccccc2O)ccn1Cc1ccccc1 ZINC001137471656 1105527697 /nfs/dbraw/zinc/52/76/97/1105527697.db2.gz VHCLTKLBYNTVAD-UHFFFAOYSA-N 0 0 320.392 3.480 20 10 DGCDRN Cn1c(-c2ccccc2-c2cnc(N)nc2)nc2cccc(F)c21 ZINC001250862357 1105595589 /nfs/dbraw/zinc/59/55/89/1105595589.db2.gz FQDORMJYYVVASA-UHFFFAOYSA-N 0 0 319.343 3.419 20 10 DGCDRN C[C@H](NC(=O)NCc1c(O)cccc1F)c1c(F)cccc1F ZINC001251171304 1105635018 /nfs/dbraw/zinc/63/50/18/1105635018.db2.gz PJULVPIIERJKJG-VIFPVBQESA-N 0 0 324.302 3.370 20 10 DGCDRN Cn1c2ccc(C(F)(F)F)cc2nc1-c1cc(O)c(O)c(O)c1 ZINC001251248247 1105643996 /nfs/dbraw/zinc/64/39/96/1105643996.db2.gz HMABNJWZCIPYNX-UHFFFAOYSA-N 0 0 324.258 3.376 20 10 DGCDRN Oc1cc(O)c(-c2nc3ccc(F)c(F)c3n2C2CC2)cc1O ZINC001251355492 1105652377 /nfs/dbraw/zinc/65/23/77/1105652377.db2.gz NYLHWQCXERRPBC-UHFFFAOYSA-N 0 0 318.279 3.433 20 10 DGCDRN CCCn1c2ccc(F)cc2nc1-c1cc(O)c(O)cc1O ZINC001251355361 1105652671 /nfs/dbraw/zinc/65/26/71/1105652671.db2.gz HULGYQDSECHYDV-UHFFFAOYSA-N 0 0 302.305 3.369 20 10 DGCDRN COc1ccc(CNC(=O)NC[C@@H]2CCC=CCCC2)c(O)c1 ZINC001251539509 1105668342 /nfs/dbraw/zinc/66/83/42/1105668342.db2.gz IKZPHBAGFCEANH-CQSZACIVSA-N 0 0 318.417 3.337 20 10 DGCDRN CCCOc1ccccc1NC[C@@H](O)COc1ccc(F)cc1 ZINC001251938605 1105712559 /nfs/dbraw/zinc/71/25/59/1105712559.db2.gz DYVPRDMKVZZFCS-OAHLLOKOSA-N 0 0 319.376 3.466 20 10 DGCDRN C[C@H](COCC(F)(F)F)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001308250420 1105843278 /nfs/dbraw/zinc/84/32/78/1105843278.db2.gz RTLHKTNQVPVXHO-SSDOTTSWSA-N 0 0 315.694 3.242 20 10 DGCDRN COc1cccc(CNC(=O)C(F)(F)c2ccccc2C)c1O ZINC001253824831 1105991574 /nfs/dbraw/zinc/99/15/74/1105991574.db2.gz GVFNWAQJGGHJEF-UHFFFAOYSA-N 0 0 321.323 3.117 20 10 DGCDRN CCC/C(C)=C\C(=O)N1CCN(c2ccc(OCC)cc2)CC1 ZINC001253863174 1105997576 /nfs/dbraw/zinc/99/75/76/1105997576.db2.gz CYGIZKZTQISROM-NXVVXOECSA-N 0 0 316.445 3.480 20 10 DGCDRN COC[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccco1 ZINC001254184487 1106030457 /nfs/dbraw/zinc/03/04/57/1106030457.db2.gz OCVHVJGAYSIUBH-QGZVFWFLSA-N 0 0 300.402 3.357 20 10 DGCDRN Oc1ccc(-c2nnc(Cc3ccc(Cl)cc3)o2)cc1O ZINC001254227698 1106040608 /nfs/dbraw/zinc/04/06/08/1106040608.db2.gz CGRBTHAJKQMKJN-UHFFFAOYSA-N 0 0 302.717 3.392 20 10 DGCDRN COc1cc(-c2nnc([C@@H]3C[C@@H]3c3ccccc3)o2)cc(O)c1O ZINC001254699635 1106134247 /nfs/dbraw/zinc/13/42/47/1106134247.db2.gz YXEOWRRBQJLEIW-CHWSQXEVSA-N 0 0 324.336 3.428 20 10 DGCDRN CCc1ccc(S(=O)(=O)Nc2cc(C)c(O)cc2C)cc1 ZINC001255075453 1106174464 /nfs/dbraw/zinc/17/44/64/1106174464.db2.gz FDPHSZBOJYLIIL-UHFFFAOYSA-N 0 0 305.399 3.372 20 10 DGCDRN COc1ccc(N2CCN([C@H](C)CC(F)(F)F)CC2)cc1 ZINC001255647578 1106284606 /nfs/dbraw/zinc/28/46/06/1106284606.db2.gz YTJOIWKFVBMOTG-GFCCVEGCSA-N 0 0 302.340 3.158 20 10 DGCDRN c1nc(NCc2ccc(N3CCCC3)cc2)nn1-c1ccccc1 ZINC001256047624 1106361507 /nfs/dbraw/zinc/36/15/07/1106361507.db2.gz CECGYHCKCNRYRQ-UHFFFAOYSA-N 0 0 319.412 3.480 20 10 DGCDRN CC(=O)N1CCC[C@H]1c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256935778 1106514009 /nfs/dbraw/zinc/51/40/09/1106514009.db2.gz SNWHLAQLYIZXFS-INIZCTEOSA-N 0 0 322.368 3.211 20 10 DGCDRN Cn1cccc1Cc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256957415 1106515303 /nfs/dbraw/zinc/51/53/03/1106515303.db2.gz UDUBAIMYVIYCER-UHFFFAOYSA-N 0 0 304.353 3.457 20 10 DGCDRN c1ccn(-c2ccc(-c3nnc(CCc4c[nH]cn4)o3)cc2)c1 ZINC001256951932 1106515458 /nfs/dbraw/zinc/51/54/58/1106515458.db2.gz VBYWORNVOASGMC-UHFFFAOYSA-N 0 0 305.341 3.036 20 10 DGCDRN Cc1ccnn1Cc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256951451 1106515480 /nfs/dbraw/zinc/51/54/80/1106515480.db2.gz JEMAEZYTFFWELB-UHFFFAOYSA-N 0 0 305.341 3.081 20 10 DGCDRN COCc1oncc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256974868 1106519125 /nfs/dbraw/zinc/51/91/25/1106519125.db2.gz KUOACJWBOJDENH-UHFFFAOYSA-N 0 0 322.324 3.329 20 10 DGCDRN Cn1c(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)c[nH]c1=S ZINC001256978949 1106520534 /nfs/dbraw/zinc/52/05/34/1106520534.db2.gz YWRMVWYYNYRYIN-UHFFFAOYSA-N 0 0 323.381 3.217 20 10 DGCDRN Cc1cc(C)c(CNS(=O)(=O)c2ccc(C)c(C)c2)c(O)c1 ZINC001259170215 1107090829 /nfs/dbraw/zinc/09/08/29/1107090829.db2.gz PVNSEBKIVIDWQD-UHFFFAOYSA-N 0 0 319.426 3.104 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)[C@H]3C[C@H]3C(C)C)CC2)cc1 ZINC001320679172 1107101825 /nfs/dbraw/zinc/10/18/25/1107101825.db2.gz IECDUWFJFDUDQR-ROUUACIJSA-N 0 0 316.445 3.026 20 10 DGCDRN c1cc(N2CCCC2)ccc1CNc1nnc([C@H]2CCCO2)o1 ZINC001320685058 1107104859 /nfs/dbraw/zinc/10/48/59/1107104859.db2.gz IDNPSHMEEOMRSS-OAHLLOKOSA-N 0 0 314.389 3.133 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1cncc(-c2ccccc2)c1 ZINC001299572117 1107121017 /nfs/dbraw/zinc/12/10/17/1107121017.db2.gz AVSFCKJDTKKNPK-UHFFFAOYSA-N 0 0 320.348 3.090 20 10 DGCDRN Cc1cc(NS(=O)(=O)c2cc(F)cc(F)c2)c(C)cc1O ZINC001259311323 1107123472 /nfs/dbraw/zinc/12/34/72/1107123472.db2.gz SHWSOACUTVZLGZ-UHFFFAOYSA-N 0 0 313.325 3.088 20 10 DGCDRN CCc1cccc2c(CC(=O)NCc3ccc(O)cc3O)c[nH]c21 ZINC001299574671 1107125068 /nfs/dbraw/zinc/12/50/68/1107125068.db2.gz SVNAZGZCBVCIIH-UHFFFAOYSA-N 0 0 324.380 3.000 20 10 DGCDRN CCN(Cc1ccccc1O)S(=O)(=O)Cc1cccc(C)c1 ZINC001259747313 1107189179 /nfs/dbraw/zinc/18/91/79/1107189179.db2.gz NVTIJVXNWBRPJV-UHFFFAOYSA-N 0 0 319.426 3.053 20 10 DGCDRN COCc1ccc(C(=O)Nc2c3nonc3ccc2Cl)cc1 ZINC001320946252 1107198739 /nfs/dbraw/zinc/19/87/39/1107198739.db2.gz FHGQPFTWVGUBNH-UHFFFAOYSA-N 0 0 317.732 3.275 20 10 DGCDRN O=S(=O)(NCc1cc2ccccc2cc1O)C1CCCCC1 ZINC001259817766 1107209985 /nfs/dbraw/zinc/20/99/85/1107209985.db2.gz HSJXZOQNKVZIAI-UHFFFAOYSA-N 0 0 319.426 3.298 20 10 DGCDRN COc1ccc(F)cc1C(=O)Nc1c2nonc2ccc1Cl ZINC001320978922 1107211662 /nfs/dbraw/zinc/21/16/62/1107211662.db2.gz VHCWOZAMYOTWTF-UHFFFAOYSA-N 0 0 321.695 3.276 20 10 DGCDRN Cc1ccccc1CS(=O)(=O)Nc1cc(C)c(O)cc1C ZINC001260021099 1107238684 /nfs/dbraw/zinc/23/86/84/1107238684.db2.gz CKSBNZJKIWXTCW-UHFFFAOYSA-N 0 0 305.399 3.259 20 10 DGCDRN Cc1cc(C)c(CNS(=O)(=O)c2cccc(C)c2C)c(O)c1 ZINC001261003088 1107342754 /nfs/dbraw/zinc/34/27/54/1107342754.db2.gz BZLIMBACPICIGX-UHFFFAOYSA-N 0 0 319.426 3.104 20 10 DGCDRN COc1ccc2c(c1)CCCN2C[C@H](C)NC(=O)OC(C)(C)C ZINC001321690089 1107411727 /nfs/dbraw/zinc/41/17/27/1107411727.db2.gz ULDKCRXCVFJXMO-ZDUSSCGKSA-N 0 0 320.433 3.361 20 10 DGCDRN CO[C@@H](C(=O)Nc1c2nonc2ccc1Cl)C1CCCCC1 ZINC001261779595 1107524787 /nfs/dbraw/zinc/52/47/87/1107524787.db2.gz RQTAJWSTEMDYAB-CQSZACIVSA-N 0 0 323.780 3.410 20 10 DGCDRN Cc1ccc(S(=O)(=O)Nc2ccc(O)c(C(C)C)c2)cn1 ZINC001262030247 1107583850 /nfs/dbraw/zinc/58/38/50/1107583850.db2.gz BSDUMEQIHAITKD-UHFFFAOYSA-N 0 0 306.387 3.020 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH+]1CCC(c2ccncc2)CC1 ZINC001262111312 1107623629 /nfs/dbraw/zinc/62/36/29/1107623629.db2.gz BZTDXALVJRTPON-UHFFFAOYSA-N 0 0 304.340 3.445 20 10 DGCDRN Cn1c(C2SC=CC2=O)nnc1N1CCC(C2CCC2)CC1 ZINC001262854307 1107846425 /nfs/dbraw/zinc/84/64/25/1107846425.db2.gz GXYZFHQQESRTNZ-UHFFFAOYSA-N 0 0 318.446 3.266 20 10 DGCDRN COc1cc(CN2Cc3ccc([N+](=O)[O-])cc3C2)c(O)cc1C ZINC001323286013 1107914799 /nfs/dbraw/zinc/91/47/99/1107914799.db2.gz OUAYBWVMIGJDMF-UHFFFAOYSA-N 0 0 314.341 3.133 20 10 DGCDRN Cc1ccc(C(=O)C(=O)Nc2c3nonc3ccc2Cl)cc1 ZINC001323419832 1107968573 /nfs/dbraw/zinc/96/85/73/1107968573.db2.gz RJJAHOYKTPOPSZ-UHFFFAOYSA-N 0 0 315.716 3.006 20 10 DGCDRN CCCc1nc(C(=O)Nc2c3nonc3ccc2Cl)co1 ZINC001323707406 1108059240 /nfs/dbraw/zinc/05/92/40/1108059240.db2.gz NOXJFAIHKSQUKX-UHFFFAOYSA-N 0 0 306.709 3.069 20 10 DGCDRN CS[C@@H]1CC[C@H](N(C)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC001319082099 1108308293 /nfs/dbraw/zinc/30/82/93/1108308293.db2.gz NKLXTTXZPMTQKP-JKSUJKDBSA-N 0 0 321.490 3.178 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1C[C@H]1Cc1ccccc1 ZINC001264009197 1108336696 /nfs/dbraw/zinc/33/66/96/1108336696.db2.gz LPLREGPENZHPDH-DGEHHSODSA-N 0 0 323.392 3.106 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1C[C@H]1Cc1ccccc1 ZINC001264009198 1108336909 /nfs/dbraw/zinc/33/69/09/1108336909.db2.gz LPLREGPENZHPDH-KVPVBUAESA-N 0 0 323.392 3.106 20 10 DGCDRN CC(C)[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccc(F)cc1 ZINC000386289981 1108440539 /nfs/dbraw/zinc/44/05/39/1108440539.db2.gz QHKKXIFLOIJEDZ-GOSISDBHSA-N 0 0 300.377 3.464 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)/C(C)=C(\C)CC)CC2)cc1 ZINC001325091836 1108575677 /nfs/dbraw/zinc/57/56/77/1108575677.db2.gz SSMCCRMOLZQETI-FOCLMDBBSA-N 0 0 316.445 3.480 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)C=C3CCCC3)CC2)cc1 ZINC001319869654 1108671254 /nfs/dbraw/zinc/67/12/54/1108671254.db2.gz GVUYURLHNDEFDF-UHFFFAOYSA-N 0 0 314.429 3.234 20 10 DGCDRN O=[N+]([O-])c1ccc2c(c1)CN(Cc1c(O)cccc1Cl)C2 ZINC001319948724 1108711591 /nfs/dbraw/zinc/71/15/91/1108711591.db2.gz QUEUGGHLYGJNLP-UHFFFAOYSA-N 0 0 304.733 3.470 20 10 DGCDRN C[C@@H]1C[C@@H]1n1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1O ZINC001291038516 1110265766 /nfs/dbraw/zinc/26/57/66/1110265766.db2.gz PWUWKFFXARUOOX-DOMZBBRYSA-N 0 0 323.400 3.196 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H](C2CCCCC2)C1 ZINC001301408884 1111091081 /nfs/dbraw/zinc/09/10/81/1111091081.db2.gz YTPPMLJKNQIOKL-INIZCTEOSA-N 0 0 317.429 3.459 20 10 DGCDRN C[C@H](NC(=O)[C@@](C)(O)c1ccc(Cl)cc1)c1ccccc1O ZINC001302538323 1111117311 /nfs/dbraw/zinc/11/73/11/1111117311.db2.gz NKJWRWMQLCSDTP-GTNSWQLSSA-N 0 0 319.788 3.131 20 10 DGCDRN Cc1c2ccccc2[nH]c(=O)c1C(=O)N[C@H](C)c1ccccc1O ZINC001302530422 1111117434 /nfs/dbraw/zinc/11/74/34/1111117434.db2.gz OUHOGDNSQTXEKN-GFCCVEGCSA-N 0 0 322.364 3.445 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1nccc2ccsc21 ZINC001303875731 1111156796 /nfs/dbraw/zinc/15/67/96/1111156796.db2.gz MPNJGPSFYXOHBS-UHFFFAOYSA-N 0 0 302.330 3.071 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCCc2ccccc2C1 ZINC001304316075 1111173056 /nfs/dbraw/zinc/17/30/56/1111173056.db2.gz FRWXDMOUQCMKFR-CCCPALQASA-N 0 0 323.392 3.175 20 10 DGCDRN C[C@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(Cl)c1O ZINC001305070044 1111192963 /nfs/dbraw/zinc/19/29/63/1111192963.db2.gz XGVCTFDLQPBXBK-JTQLQIEISA-N 0 0 323.751 3.268 20 10 DGCDRN Nc1cc(Cl)ccc1C(=O)NCc1cccc(Cl)c1O ZINC001305084458 1111193016 /nfs/dbraw/zinc/19/30/16/1111193016.db2.gz JMGRWLMMHHHBMA-UHFFFAOYSA-N 0 0 311.168 3.211 20 10 DGCDRN CC(C)(O)CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001306958882 1111254708 /nfs/dbraw/zinc/25/47/08/1111254708.db2.gz LNLBBAFCFQMWPH-UHFFFAOYSA-N 0 0 314.341 3.009 20 10 DGCDRN COCCN(Cc1cc(C)ns1)c1ccc(OC)c(OC)c1 ZINC001307533339 1111312045 /nfs/dbraw/zinc/31/20/45/1111312045.db2.gz GCYHGTYIZRCPNB-UHFFFAOYSA-N 0 0 322.430 3.122 20 10 DGCDRN CCOc1ccc(N(CC)CCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC001307566630 1111315394 /nfs/dbraw/zinc/31/53/94/1111315394.db2.gz NQQIGTBNZBTFNJ-UHFFFAOYSA-N 0 0 318.377 3.025 20 10 DGCDRN COc1ccc(COCCN(C)c2ccc(OC)cc2)cc1 ZINC001307905677 1111354275 /nfs/dbraw/zinc/35/42/75/1111354275.db2.gz PQCHNRDVNAMCJL-UHFFFAOYSA-N 0 0 301.386 3.357 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCOc1ccccc1Cl ZINC001308343951 1111418981 /nfs/dbraw/zinc/41/89/81/1111418981.db2.gz ZZGCJPLIYFWVHA-UHFFFAOYSA-N 0 0 313.731 3.492 20 10 DGCDRN CN(C(N)=O)c1cccc(NCc2ccc(N3CCCC3)cc2)c1 ZINC001308389399 1111424513 /nfs/dbraw/zinc/42/45/13/1111424513.db2.gz DXCCYTZCKXPMCR-UHFFFAOYSA-N 0 0 324.428 3.414 20 10 DGCDRN CCCN(C/C=C\c1ccc(N(C)C)cc1)CC(=O)OCC ZINC001308579879 1111447610 /nfs/dbraw/zinc/44/76/10/1111447610.db2.gz JKNBCZWJKBNPIB-FPLPWBNLSA-N 0 0 304.434 3.041 20 10 DGCDRN C[N@H+](CCOc1ccccc1F)Cc1cc(F)c(F)cc1[O-] ZINC001308653994 1111456846 /nfs/dbraw/zinc/45/68/46/1111456846.db2.gz UJRXDTZIDSOMJP-UHFFFAOYSA-N 0 0 311.303 3.320 20 10 DGCDRN Cc1csc2nc(C)c(CN(C)c3ccc4c(c3)OCO4)n12 ZINC001308677976 1111459696 /nfs/dbraw/zinc/45/96/96/1111459696.db2.gz TUZTZRIFFYQIMM-UHFFFAOYSA-N 0 0 315.398 3.378 20 10 DGCDRN [O-]c1c(C[NH2+][C@@H]2CCc3ccccc3OC2)ccc(F)c1F ZINC001308717564 1111465231 /nfs/dbraw/zinc/46/52/31/1111465231.db2.gz FVBPPDFHKBWBTQ-CYBMUJFWSA-N 0 0 305.324 3.154 20 10 DGCDRN CN(Cc1cn(C)nc1Cl)Cc1ccc(N2CCCC2)cc1 ZINC001308749215 1111469991 /nfs/dbraw/zinc/46/99/91/1111469991.db2.gz ZJLNVKJFJBAFSY-UHFFFAOYSA-N 0 0 318.852 3.306 20 10 DGCDRN CC[C@@H](C[NH2+]Cc1cc(F)c(F)cc1[O-])C(=O)OC(C)(C)C ZINC001308947281 1111498051 /nfs/dbraw/zinc/49/80/51/1111498051.db2.gz ISLIWUPPAHSQLC-JTQLQIEISA-N 0 0 315.360 3.128 20 10 DGCDRN COc1ccc(NC(=O)N[C@H](C)c2ccccc2O)c(Cl)n1 ZINC001310397670 1111558333 /nfs/dbraw/zinc/55/83/33/1111558333.db2.gz UPAKBXKDWJRZHG-SECBINFHSA-N 0 0 321.764 3.332 20 10 DGCDRN CCCCNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001310900460 1111574899 /nfs/dbraw/zinc/57/48/99/1111574899.db2.gz LFHUJGYAJMFUOP-UHFFFAOYSA-N 0 0 309.373 3.318 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@H](C)C1CC1 ZINC001311690007 1111614383 /nfs/dbraw/zinc/61/43/83/1111614383.db2.gz QGZNBVQZPHVJFA-LSDHHAIUSA-N 0 0 317.477 3.337 20 10 DGCDRN COc1ccc([C@@H](C)NC(=O)NCc2c(O)cccc2F)cc1 ZINC001311738673 1111616804 /nfs/dbraw/zinc/61/68/04/1111616804.db2.gz PKGIILMWJBCRJR-LLVKDONJSA-N 0 0 318.348 3.100 20 10 DGCDRN O=C(NCCCCC1CC1)NCc1ccc(N2CC=CC2)cc1 ZINC001312066919 1111634102 /nfs/dbraw/zinc/63/41/02/1111634102.db2.gz MYPPNVCLVOKNHS-UHFFFAOYSA-N 0 0 313.445 3.442 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C2(c3ccccc3F)CC2)c1 ZINC000076766572 185039614 /nfs/dbraw/zinc/03/96/14/185039614.db2.gz SPVBPBFXQVKWOP-UHFFFAOYSA-N 0 0 302.305 3.218 20 10 DGCDRN Cc1cc(C(=O)NC[C@@H](C)C[C@H](C)O)c(C)n1-c1ccccc1 ZINC000077052687 185079101 /nfs/dbraw/zinc/07/91/01/185079101.db2.gz QZAFUAREDIVTFO-ZFWWWQNUSA-N 0 0 314.429 3.231 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CC(=O)c3ccccc32)cc1 ZINC000276507269 529780061 /nfs/dbraw/zinc/78/00/61/529780061.db2.gz YMGQAANJRBKICE-GOSISDBHSA-N 0 0 322.408 3.081 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCCC(F)(F)C2)cc1F ZINC000282124736 529781830 /nfs/dbraw/zinc/78/18/30/529781830.db2.gz KSNUFCIAGAIAJY-LBPRGKRZSA-N 0 0 314.351 3.333 20 10 DGCDRN CN(C)c1ccc(CNc2c(F)c(F)nc(F)c2F)cc1F ZINC000301594238 529782336 /nfs/dbraw/zinc/78/23/36/529782336.db2.gz FDDGAVHBACOZFG-UHFFFAOYSA-N 0 0 317.261 3.455 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccoc1Cl ZINC000192324401 282296199 /nfs/dbraw/zinc/29/61/99/282296199.db2.gz QUCBROJMTZMWCT-UHFFFAOYSA-N 0 0 306.749 3.038 20 10 DGCDRN CCCC1(C(=O)N2CCOc3cc(N(C)C)ccc32)CCC1 ZINC000356014094 282616833 /nfs/dbraw/zinc/61/68/33/282616833.db2.gz PYTJITRLWJHROZ-UHFFFAOYSA-N 0 0 302.418 3.448 20 10 DGCDRN CC(C)CO[C@H](C)c1noc(CN(C)Cc2ccccc2O)n1 ZINC000072517868 191185727 /nfs/dbraw/zinc/18/57/27/191185727.db2.gz RBXMYLYVELLWSN-CYBMUJFWSA-N 0 0 319.405 3.141 20 10 DGCDRN CC(C)(C)OC(=O)N1CC[C@@H](CSc2nccs2)C1 ZINC000085340113 192492977 /nfs/dbraw/zinc/49/29/77/192492977.db2.gz PKLNANVKWKINCI-SNVBAGLBSA-N 0 0 300.449 3.492 20 10 DGCDRN CCn1c2ccccc2nc1[C@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000166301890 432059816 /nfs/dbraw/zinc/05/98/16/432059816.db2.gz PLVWZZPXDIAQEZ-ZDUSSCGKSA-N 0 0 322.412 3.058 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)ncn2C ZINC000134208408 432075013 /nfs/dbraw/zinc/07/50/13/432075013.db2.gz KZQYOAUOYCDXEJ-UHFFFAOYSA-N 0 0 323.396 3.331 20 10 DGCDRN C[C@H]([NH2+]CC(C)(C)OCCO)c1ccc(Cl)c(Cl)c1[O-] ZINC000287423188 299277792 /nfs/dbraw/zinc/27/77/92/299277792.db2.gz SKLPDLMGCNQLGQ-VIFPVBQESA-N 0 0 322.232 3.137 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cccc(OC)c1O ZINC000170732305 432078660 /nfs/dbraw/zinc/07/86/60/432078660.db2.gz UDNQVUVJLBQAML-UHFFFAOYSA-N 0 0 315.369 3.159 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccc(F)cc1[O-] ZINC000170788857 432081515 /nfs/dbraw/zinc/08/15/15/432081515.db2.gz KITUQPOQTODPKT-NSHDSACASA-N 0 0 303.333 3.153 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(N)nc(Cl)c1 ZINC000170894471 432086726 /nfs/dbraw/zinc/08/67/26/432086726.db2.gz ZSBFZTFMRCMCAN-UHFFFAOYSA-N 0 0 319.792 3.075 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCC1(C)Cc2ccccc2C1 ZINC000091931914 193128072 /nfs/dbraw/zinc/12/80/72/193128072.db2.gz RCPVECKXTJLIDS-UHFFFAOYSA-N 0 0 324.424 3.339 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000458734188 243141359 /nfs/dbraw/zinc/14/13/59/243141359.db2.gz HZEUNAJYAGVYQI-KBMXLJTQSA-N 0 0 311.429 3.475 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cccc(N(C)C)c1 ZINC000471232523 244210622 /nfs/dbraw/zinc/21/06/22/244210622.db2.gz ZBZOXFOMEDHWAV-UHFFFAOYSA-N 0 0 321.424 3.483 20 10 DGCDRN Cc1ccc([C@@H]2COCCN2Cc2cc(C)c(C)cc2O)o1 ZINC000093459789 193255483 /nfs/dbraw/zinc/25/54/83/193255483.db2.gz SDZRAKLMHJDSEM-INIZCTEOSA-N 0 0 301.386 3.484 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1ncnn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000276634593 296152400 /nfs/dbraw/zinc/15/24/00/296152400.db2.gz OBZRRQHXPMKTBH-SFYZADRCSA-N 0 0 315.204 3.239 20 10 DGCDRN CN(C(=O)/C=C\c1c(Cl)nc2ccccn21)c1ccccn1 ZINC000491840997 245569784 /nfs/dbraw/zinc/56/97/84/245569784.db2.gz AMUXBDIWJQAFPN-HJWRWDBZSA-N 0 0 312.760 3.059 20 10 DGCDRN Nc1ccc(NC(=O)COc2cccc(Br)c2)cc1 ZINC000022169137 182312072 /nfs/dbraw/zinc/31/20/72/182312072.db2.gz NVXCYNXCKPUUSI-UHFFFAOYSA-N 0 0 321.174 3.049 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000366167474 296253742 /nfs/dbraw/zinc/25/37/42/296253742.db2.gz BLFZSDSJVPKFPJ-ZDUSSCGKSA-N 0 0 303.745 3.338 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000366167473 296253900 /nfs/dbraw/zinc/25/39/00/296253900.db2.gz BLFZSDSJVPKFPJ-CYBMUJFWSA-N 0 0 303.745 3.338 20 10 DGCDRN COc1cccc(CNC(=O)[C@@H](C)Cc2cccc(F)c2)c1O ZINC000105651002 194118451 /nfs/dbraw/zinc/11/84/51/194118451.db2.gz AVVIRZNFEGAYSI-LBPRGKRZSA-N 0 0 317.360 3.035 20 10 DGCDRN Cc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)ccc1O ZINC000272417365 130028568 /nfs/dbraw/zinc/02/85/68/130028568.db2.gz JPYRRNMXVWUTEO-UHFFFAOYSA-N 0 0 310.397 3.231 20 10 DGCDRN CN(Cc1cnc([C@H]2CCCO2)s1)c1ccc2c(c1)OCO2 ZINC000272569481 130041600 /nfs/dbraw/zinc/04/16/00/130041600.db2.gz VOQFOCNTOIVITH-CQSZACIVSA-N 0 0 318.398 3.360 20 10 DGCDRN Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3F)C2)c(O)c1O ZINC000272718757 130056695 /nfs/dbraw/zinc/05/66/95/130056695.db2.gz DYHZHOLNOBHKHE-GFCCVEGCSA-N 0 0 315.344 3.175 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000273482392 130125916 /nfs/dbraw/zinc/12/59/16/130125916.db2.gz MFKGBYUPMIJIIT-DXCKQFNASA-N 0 0 321.417 3.033 20 10 DGCDRN C[C@@H]([NH2+]CCc1ccc(Cl)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273572548 130138826 /nfs/dbraw/zinc/13/88/26/130138826.db2.gz KYUSIXDCPWUIMT-SNVBAGLBSA-N 0 0 321.764 3.242 20 10 DGCDRN CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccncc1 ZINC000273588292 130141129 /nfs/dbraw/zinc/14/11/29/130141129.db2.gz OKANEGXOUXJABF-ABAIWWIYSA-N 0 0 301.346 3.497 20 10 DGCDRN COC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(C)o1 ZINC000273610912 130144285 /nfs/dbraw/zinc/14/42/85/130144285.db2.gz VTVFBHRIDKKGAY-RISCZKNCSA-N 0 0 320.345 3.240 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC=C(F)C1 ZINC000274089179 130203874 /nfs/dbraw/zinc/20/38/74/130203874.db2.gz IHEZYZQQHSVLPC-UHFFFAOYSA-N 0 0 303.381 3.056 20 10 DGCDRN C[C@H]1C(=O)CC[C@H](C(=O)NCc2ccc(N(C)C)cc2)C1(C)C ZINC000275565380 130338336 /nfs/dbraw/zinc/33/83/36/130338336.db2.gz WUTSIRSRIGDCHL-XJKSGUPXSA-N 0 0 316.445 3.010 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccon1 ZINC000275776003 130384097 /nfs/dbraw/zinc/38/40/97/130384097.db2.gz OYKBJEWXAVQBBK-UHFFFAOYSA-N 0 0 302.378 3.183 20 10 DGCDRN CC[C@@H](C)[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(F)(F)F ZINC000278257738 130676499 /nfs/dbraw/zinc/67/64/99/130676499.db2.gz XVQCDJPBLMWPNZ-ISBBGBLXSA-N 0 0 317.307 3.204 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)[C@@H](F)CC1CCCCC1 ZINC000279848506 130766933 /nfs/dbraw/zinc/76/69/33/130766933.db2.gz JXGKSWADLMISBN-AWEZNQCLSA-N 0 0 309.381 3.065 20 10 DGCDRN CC[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc(F)cc1[O-] ZINC000286337741 131231475 /nfs/dbraw/zinc/23/14/75/131231475.db2.gz YRAWWVKVDLVCAA-ZFWWWQNUSA-N 0 0 309.381 3.258 20 10 DGCDRN CC[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000286356685 131232083 /nfs/dbraw/zinc/23/20/83/131232083.db2.gz ZMJLRWZNJAUHID-HOTGVXAUSA-N 0 0 307.340 3.445 20 10 DGCDRN C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC000287797296 131300391 /nfs/dbraw/zinc/30/03/91/131300391.db2.gz ZQGLHZBTIGGCPC-LLVKDONJSA-N 0 0 315.339 3.037 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@@H]2CCC[C@H]2O)cc1 ZINC000288228933 131316866 /nfs/dbraw/zinc/31/68/66/131316866.db2.gz DENUGBIGBNWXKH-QZTJIDSGSA-N 0 0 312.413 3.080 20 10 DGCDRN COc1cccc(CNC(=O)NC(C2CCC2)C2CCC2)c1O ZINC000288419304 131324416 /nfs/dbraw/zinc/32/44/16/131324416.db2.gz NPNXAYLHXWAFKK-UHFFFAOYSA-N 0 0 318.417 3.169 20 10 DGCDRN CC(=O)C(=O)CSc1nnc(Nc2ccc(C)c(C)c2)s1 ZINC000289513579 131392051 /nfs/dbraw/zinc/39/20/51/131392051.db2.gz COQGWCSVCXATIN-UHFFFAOYSA-N 0 0 321.427 3.149 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CC(C)(C)[C@H]2C2CC2)cc1 ZINC000290784436 131516639 /nfs/dbraw/zinc/51/66/39/131516639.db2.gz NJYIKLCFOHBHKM-MRXNPFEDSA-N 0 0 301.434 3.083 20 10 DGCDRN Nc1ccc(CNC(=O)Cc2coc3cc4c(cc23)CCC4)cc1 ZINC000297188860 132003593 /nfs/dbraw/zinc/00/35/93/132003593.db2.gz LPKHVKUJQDNYEQ-UHFFFAOYSA-N 0 0 320.392 3.363 20 10 DGCDRN Cc1ncsc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298764594 132076828 /nfs/dbraw/zinc/07/68/28/132076828.db2.gz YGNSDKZOPNGRRT-UHFFFAOYSA-N 0 0 315.442 3.322 20 10 DGCDRN CCOCCCCNC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000298989936 132085212 /nfs/dbraw/zinc/08/52/12/132085212.db2.gz RIQKJNPHZRNRBY-UHFFFAOYSA-N 0 0 321.465 3.101 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)Nc2ccccn2)C2CC2)cc1 ZINC000299188573 132093453 /nfs/dbraw/zinc/09/34/53/132093453.db2.gz GPHRGPVCFLTPRW-UHFFFAOYSA-N 0 0 310.401 3.344 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc(C)s1 ZINC000299549152 132110865 /nfs/dbraw/zinc/11/08/65/132110865.db2.gz VRXUCADUKNPKOE-UHFFFAOYSA-N 0 0 303.431 3.180 20 10 DGCDRN COc1cccc(CNc2ccc(NC(=O)C3CC3)cc2)c1O ZINC000120495267 132144596 /nfs/dbraw/zinc/14/45/96/132144596.db2.gz XHMHKFLQRLAWHP-UHFFFAOYSA-N 0 0 312.369 3.361 20 10 DGCDRN COC(C)(C)C[C@@H](C)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000174557415 292066426 /nfs/dbraw/zinc/06/64/26/292066426.db2.gz FQCCEAFETANHRY-SECBINFHSA-N 0 0 316.785 3.247 20 10 DGCDRN CCc1c(Cl)nc(C)nc1NCc1cccc(OC)c1O ZINC000091479310 400123067 /nfs/dbraw/zinc/12/30/67/400123067.db2.gz XNCSUEVDYHLIHC-UHFFFAOYSA-N 0 0 307.781 3.327 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CC(F)(F)F)cc1F ZINC000066841148 400124811 /nfs/dbraw/zinc/12/48/11/400124811.db2.gz KPFNSBKUUUSPNY-UHFFFAOYSA-N 0 0 306.303 3.241 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cccnc1Cl ZINC000028336825 400288912 /nfs/dbraw/zinc/28/89/12/400288912.db2.gz BFWNVIGIWMGTST-UHFFFAOYSA-N 0 0 315.804 3.265 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000042117127 400423265 /nfs/dbraw/zinc/42/32/65/400423265.db2.gz TULKYCJJQQHDHH-UHFFFAOYSA-N 0 0 324.380 3.013 20 10 DGCDRN CN(C(=O)/C=C/c1c(Cl)nc2ccccn21)c1cccnc1 ZINC000074077978 400489897 /nfs/dbraw/zinc/48/98/97/400489897.db2.gz TXKTZAHMODQCGQ-BQYQJAHWSA-N 0 0 312.760 3.059 20 10 DGCDRN COc1cccc(CNC(=O)N[C@@H]2C[C@H]2C2CCCCC2)c1O ZINC000074624212 400522532 /nfs/dbraw/zinc/52/25/32/400522532.db2.gz IPOSAULUYTZEIZ-LSDHHAIUSA-N 0 0 318.417 3.169 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1scnc1C ZINC000046783842 400580274 /nfs/dbraw/zinc/58/02/74/400580274.db2.gz ASUBGOYTZQSDNG-UHFFFAOYSA-N 0 0 303.431 3.180 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1C[C@H]1c1cccnc1 ZINC000075159442 400562671 /nfs/dbraw/zinc/56/26/71/400562671.db2.gz DUOXTBCMFHHYER-DLBZAZTESA-N 0 0 322.408 3.086 20 10 DGCDRN COc1ccccc1[C@H](C)NC(=O)CSc1nccs1 ZINC000076396864 400652638 /nfs/dbraw/zinc/65/26/38/400652638.db2.gz VMYXPMSSORCZMM-JTQLQIEISA-N 0 0 308.428 3.121 20 10 DGCDRN c1[nH]c2ncccc2c1C1=CCN(c2ncnc3c2CCC3)CC1 ZINC000076920603 400679796 /nfs/dbraw/zinc/67/97/96/400679796.db2.gz ZRSVQRWPCIXOJI-UHFFFAOYSA-N 0 0 317.396 3.135 20 10 DGCDRN COc1ccc(NC(=O)[C@@H](C)Sc2nccs2)cc1OC ZINC000052914150 400754602 /nfs/dbraw/zinc/75/46/02/400754602.db2.gz JJRLHHDVDJEPNG-SECBINFHSA-N 0 0 324.427 3.280 20 10 DGCDRN COC1CCN(C(=O)c2sccc2-n2c(C)ccc2C)CC1 ZINC000054149836 400812573 /nfs/dbraw/zinc/81/25/73/400812573.db2.gz LUPVSLVEPWBNJP-UHFFFAOYSA-N 0 0 318.442 3.407 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ccccc1S(C)(=O)=O ZINC000077979875 400757924 /nfs/dbraw/zinc/75/79/24/400757924.db2.gz BZRUDDUVWUEDFK-UHFFFAOYSA-N 0 0 318.442 3.077 20 10 DGCDRN C[C@H]1CN(c2ccc(CNC(=O)C(C)(C)C)cc2F)C[C@H](C)O1 ZINC000055530543 400875955 /nfs/dbraw/zinc/87/59/55/400875955.db2.gz DGSGUJMEJYJETJ-STQMWFEESA-N 0 0 322.424 3.102 20 10 DGCDRN Cn1cc(C(=O)N2CCCc3ccccc32)c(-c2cccnc2)n1 ZINC000621084854 401065602 /nfs/dbraw/zinc/06/56/02/401065602.db2.gz SKYQXQLIDMLWBT-UHFFFAOYSA-N 0 0 318.380 3.075 20 10 DGCDRN Cc1cc(C(=O)NC2=NCCS2)c(C)n1-c1cccc(C)c1 ZINC000057984710 401039949 /nfs/dbraw/zinc/03/99/49/401039949.db2.gz MWFLXXWHWHTDKR-UHFFFAOYSA-N 0 0 313.426 3.235 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)COCC1CC1 ZINC000060605302 401129564 /nfs/dbraw/zinc/12/95/64/401129564.db2.gz PYXLPYDFTMQBQR-UHFFFAOYSA-N 0 0 316.445 3.062 20 10 DGCDRN CCOCCCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000298612290 286050732 /nfs/dbraw/zinc/05/07/32/286050732.db2.gz KSWIZKAKORKSMN-UHFFFAOYSA-N 0 0 306.450 3.306 20 10 DGCDRN CC(C)(C)c1ncc(/C=C/C(=O)NCc2ccccc2O)s1 ZINC000269134489 432152753 /nfs/dbraw/zinc/15/27/53/432152753.db2.gz JKVNOUJJFZQXSF-CMDGGOBGSA-N 0 0 316.426 3.476 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Cn1cnc2ccccc21 ZINC000269160429 432153843 /nfs/dbraw/zinc/15/38/43/432153843.db2.gz OEWFPJHOTXZOAZ-UHFFFAOYSA-N 0 0 323.396 3.181 20 10 DGCDRN COc1cccc(CNc2ccc(OCC(C)(C)O)cc2)c1O ZINC000269472557 432178316 /nfs/dbraw/zinc/17/83/16/432178316.db2.gz OYVPRTRSNWWYJV-UHFFFAOYSA-N 0 0 317.385 3.163 20 10 DGCDRN CCS[C@@H](C)c1noc(CN(C)Cc2ccccc2O)n1 ZINC000137278578 432174873 /nfs/dbraw/zinc/17/48/73/432174873.db2.gz QJSXUVAARCCHMY-NSHDSACASA-N 0 0 307.419 3.221 20 10 DGCDRN C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000246985416 432188293 /nfs/dbraw/zinc/18/82/93/432188293.db2.gz RVFYVBUIMCTLQI-XUJVJEKNSA-N 0 0 324.371 3.029 20 10 DGCDRN CCN(Cc1c(C)nn(C)c1Cl)c1ccc(OC)c(OC)c1 ZINC000269635752 432190949 /nfs/dbraw/zinc/19/09/49/432190949.db2.gz QYHFCTYSKMSUNZ-UHFFFAOYSA-N 0 0 323.824 3.426 20 10 DGCDRN C/C(=C\C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1 ZINC000172229708 432202892 /nfs/dbraw/zinc/20/28/92/432202892.db2.gz DULCRNRYVJGRAP-WKOYGUFESA-N 0 0 315.413 3.256 20 10 DGCDRN CN1C(=O)/C(=C\c2cccc3c2OC(C)(C)C3)SC1=S ZINC000172417935 432212888 /nfs/dbraw/zinc/21/28/88/432212888.db2.gz DJUVNECOKLTRCH-YRNVUSSQSA-N 0 0 305.424 3.231 20 10 DGCDRN CCN(CCCO)C(=O)c1sccc1-n1c(C)ccc1C ZINC000270143235 432227283 /nfs/dbraw/zinc/22/72/83/432227283.db2.gz DWZGAFSITWLMED-UHFFFAOYSA-N 0 0 306.431 3.000 20 10 DGCDRN Oc1ccc(Cl)cc1CN1CCCN(CC(F)(F)F)CC1 ZINC000129461547 227014389 /nfs/dbraw/zinc/01/43/89/227014389.db2.gz FWFLOGSLZCZUNP-UHFFFAOYSA-N 0 0 322.758 3.116 20 10 DGCDRN Cc1cncc(/C=C/C(=O)N2C[C@H](C)C(=O)Nc3ccccc32)c1 ZINC000130288626 227019049 /nfs/dbraw/zinc/01/90/49/227019049.db2.gz ZVTOWBKICIJPDH-NPQIQWPPSA-N 0 0 321.380 3.025 20 10 DGCDRN Cc1ccc(C(=O)N(C)[C@H]2CCc3ccccc3C2)c(O)c1O ZINC000179499398 228351270 /nfs/dbraw/zinc/35/12/70/228351270.db2.gz NXHIVYIYFUMONM-HNNXBMFYSA-N 0 0 311.381 3.036 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)NCC3CCC3)ccc21 ZINC000343194230 229122055 /nfs/dbraw/zinc/12/20/55/229122055.db2.gz PFBZSHKNNOPWJF-UHFFFAOYSA-N 0 0 314.429 3.434 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)NC[C@H]3C[C@H]3C)ccc21 ZINC000343259515 229123439 /nfs/dbraw/zinc/12/34/39/229123439.db2.gz MQCDKKHLHXWOEF-MLGOLLRUSA-N 0 0 314.429 3.290 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCCOC(C)C ZINC000349141432 229209773 /nfs/dbraw/zinc/20/97/73/229209773.db2.gz YTONTTKXCLVFKT-UHFFFAOYSA-N 0 0 317.433 3.101 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc2c(c1)COC2 ZINC000348698121 229205889 /nfs/dbraw/zinc/20/58/89/229205889.db2.gz KCYLDRWWNZCJLL-UHFFFAOYSA-N 0 0 320.392 3.447 20 10 DGCDRN COC[C@@H](C)[C@H](C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000360458181 229397236 /nfs/dbraw/zinc/39/72/36/229397236.db2.gz YBRSTJZBVMHIBL-OLZOCXBDSA-N 0 0 302.418 3.022 20 10 DGCDRN Cc1cccc(CN2CCC(=O)Nc3cc(F)ccc32)c1O ZINC000378131298 229613104 /nfs/dbraw/zinc/61/31/04/229613104.db2.gz VAYGMKDBMCHIHF-UHFFFAOYSA-N 0 0 300.333 3.189 20 10 DGCDRN CCCc1ncc(C(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000172990498 432250164 /nfs/dbraw/zinc/25/01/64/432250164.db2.gz YKCZBIRAJQRQAL-UHFFFAOYSA-N 0 0 317.458 3.434 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cccc([C@@H]3CCOC3)c2)cc1 ZINC000270546066 432257757 /nfs/dbraw/zinc/25/77/57/432257757.db2.gz ZJAYRHNCDPVVAC-GOSISDBHSA-N 0 0 324.424 3.187 20 10 DGCDRN CC[C@H]([NH2+]C[C@H]1CCCN(C(C)=O)C1)c1cccc(Cl)c1[O-] ZINC000287102641 288049092 /nfs/dbraw/zinc/04/90/92/288049092.db2.gz QDNWWZOOCFJJKL-CJNGLKHVSA-N 0 0 324.852 3.345 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)c3cccnc3)cc2)CC1 ZINC000108295014 431132416 /nfs/dbraw/zinc/13/24/16/431132416.db2.gz BQRFHVOCBQQKCC-UHFFFAOYSA-N 0 0 309.413 3.248 20 10 DGCDRN CC(C)(C)OCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000109761547 431178363 /nfs/dbraw/zinc/17/83/63/431178363.db2.gz RVQGVUDWUPTTJP-MRXNPFEDSA-N 0 0 307.434 3.188 20 10 DGCDRN COc1cc(C)sc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000071100733 431273029 /nfs/dbraw/zinc/27/30/29/431273029.db2.gz KUCUEQHJNYMADC-UHFFFAOYSA-N 0 0 318.442 3.403 20 10 DGCDRN C[C@H]1Oc2ccc(N[C@@H]3CCc4cccc(O)c43)cc2NC1=O ZINC000296887213 280080805 /nfs/dbraw/zinc/08/08/05/280080805.db2.gz OKCUOKXALZZQNH-ZWNOBZJWSA-N 0 0 310.353 3.211 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCCOC1CCCCCC1 ZINC000118586003 431608685 /nfs/dbraw/zinc/60/86/85/431608685.db2.gz MQOQUSZGWTWJEM-UHFFFAOYSA-N 0 0 320.433 3.273 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1CCCc2occc21 ZINC000120858276 431738633 /nfs/dbraw/zinc/73/86/33/431738633.db2.gz JMVGMXAOELICHJ-AWEZNQCLSA-N 0 0 300.358 3.204 20 10 DGCDRN CC(C)n1cccc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000120113809 431722597 /nfs/dbraw/zinc/72/25/97/431722597.db2.gz DUGDKQSHBQBNTE-UHFFFAOYSA-N 0 0 313.401 3.174 20 10 DGCDRN COc1ccc(N(C)Cc2ccc(-n3ccnc3)nc2)cc1F ZINC000121752930 431805537 /nfs/dbraw/zinc/80/55/37/431805537.db2.gz OKMHFKNCYQKQIA-UHFFFAOYSA-N 0 0 312.348 3.051 20 10 DGCDRN CN(C/C(Cl)=C/Cl)Cc1ccc(N2CCOCC2)cc1 ZINC000121841773 431806405 /nfs/dbraw/zinc/80/64/05/431806405.db2.gz TVGGXYMVLXNAQN-UVTDQMKNSA-N 0 0 315.244 3.274 20 10 DGCDRN Cc1cc(N2CC=C(c3c[nH]c4ncccc34)CC2)nc(C)n1 ZINC000043534148 431869519 /nfs/dbraw/zinc/86/95/19/431869519.db2.gz WPRJTZNSLXSZHU-UHFFFAOYSA-N 0 0 305.385 3.263 20 10 DGCDRN O=C(CSc1nccs1)Nc1ccc(N2CCCC2)cc1 ZINC000054924152 431974414 /nfs/dbraw/zinc/97/44/14/431974414.db2.gz PUGXYNSXLCONJK-UHFFFAOYSA-N 0 0 319.455 3.474 20 10 DGCDRN COc1ccc(N(CC(=O)NC(C)C)Cc2cccs2)cc1 ZINC000125933118 431939081 /nfs/dbraw/zinc/93/90/81/431939081.db2.gz YUTVECUZGWTRHM-UHFFFAOYSA-N 0 0 318.442 3.288 20 10 DGCDRN CC(C)CC1(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CCC1 ZINC000183432288 432293694 /nfs/dbraw/zinc/29/36/94/432293694.db2.gz XYEHCQPAIUGCKA-CYBMUJFWSA-N 0 0 305.418 3.361 20 10 DGCDRN CC(C)CC1(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CCC1 ZINC000183432271 432293705 /nfs/dbraw/zinc/29/37/05/432293705.db2.gz XYEHCQPAIUGCKA-ZDUSSCGKSA-N 0 0 305.418 3.361 20 10 DGCDRN Nc1ccc(CCNC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)cc1 ZINC000152590235 432341296 /nfs/dbraw/zinc/34/12/96/432341296.db2.gz HOINQCRYOPPYBA-GJZGRUSLSA-N 0 0 316.351 3.009 20 10 DGCDRN Cc1ccc(O)c(CN(C)Cc2nccn2CC(F)(F)F)c1 ZINC000271181592 432346139 /nfs/dbraw/zinc/34/61/39/432346139.db2.gz ZOOXWGUMLTXXMO-UHFFFAOYSA-N 0 0 313.323 3.091 20 10 DGCDRN CC[C@@H](C)OCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000152654969 432347412 /nfs/dbraw/zinc/34/74/12/432347412.db2.gz WBLWZZFDXORHMT-MRXNPFEDSA-N 0 0 318.461 3.450 20 10 DGCDRN CC1(CO)CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000184073780 432351829 /nfs/dbraw/zinc/35/18/29/432351829.db2.gz USGSBMXMIPWHHB-UHFFFAOYSA-N 0 0 304.217 3.293 20 10 DGCDRN Cc1cccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1C ZINC000152977852 432373968 /nfs/dbraw/zinc/37/39/68/432373968.db2.gz AXWFMWAESQZYTG-LBPRGKRZSA-N 0 0 314.385 3.467 20 10 DGCDRN COC[C@H](NCc1cc(Cl)cc(C(C)=O)c1O)c1ccco1 ZINC000184561350 432406441 /nfs/dbraw/zinc/40/64/41/432406441.db2.gz NDMVYEUGSFUXDR-AWEZNQCLSA-N 0 0 323.776 3.319 20 10 DGCDRN Cc1ccccc1C1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000193040106 432442282 /nfs/dbraw/zinc/44/22/82/432442282.db2.gz NFHYLWSMPGQFAH-UHFFFAOYSA-N 0 0 311.381 3.426 20 10 DGCDRN C[C@@](O)(C[NH2+]Cc1cccc(Cl)c1[O-])c1ccc(F)cc1 ZINC000271801712 432425450 /nfs/dbraw/zinc/42/54/50/432425450.db2.gz JBOTYVGKNHNZBL-MRXNPFEDSA-N 0 0 309.768 3.182 20 10 DGCDRN COc1ccc(O)c(C[NH2+][C@H](C)[C@H](OC)c2ccc(F)cc2)c1 ZINC000271850141 432425771 /nfs/dbraw/zinc/42/57/71/432425771.db2.gz SWSOWQVVIZJRFY-XIKOKIGWSA-N 0 0 319.376 3.406 20 10 DGCDRN COC[C@@H](NCc1cc(F)cc(C(C)=O)c1O)c1ccc(C)o1 ZINC000184716917 432426348 /nfs/dbraw/zinc/42/63/48/432426348.db2.gz XFOCUKXWKGITRB-OAHLLOKOSA-N 0 0 321.348 3.113 20 10 DGCDRN CCC(CC)[C@@H]1C[C@H](NC(=O)NCc2ccccc2O)CCO1 ZINC000272351391 432487989 /nfs/dbraw/zinc/48/79/89/432487989.db2.gz QVFRFVLAENVMBQ-WBVHZDCISA-N 0 0 320.433 3.175 20 10 DGCDRN Nc1ccc(CCNC(=O)C[C@@H]2CCc3ccccc3C2)cc1 ZINC000262570708 432490943 /nfs/dbraw/zinc/49/09/43/432490943.db2.gz CXXXXFUPHPIZIN-MRXNPFEDSA-N 0 0 308.425 3.123 20 10 DGCDRN C[C@H](C[S@](C)=O)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000193280338 432463767 /nfs/dbraw/zinc/46/37/67/432463767.db2.gz ALSFMWDXLWIRHL-MPSDLYAZSA-N 0 0 310.246 3.117 20 10 DGCDRN COCCOCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185136962 432470279 /nfs/dbraw/zinc/47/02/79/432470279.db2.gz UHSYTJPWVITHRV-VIFPVBQESA-N 0 0 308.205 3.013 20 10 DGCDRN C[C@H]([NH2+]CCOc1ncccc1Cl)c1ccc(F)cc1[O-] ZINC000186106980 432558759 /nfs/dbraw/zinc/55/87/59/432558759.db2.gz WIYYGTDTWZAKGA-JTQLQIEISA-N 0 0 310.756 3.309 20 10 DGCDRN CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000186176823 432565353 /nfs/dbraw/zinc/56/53/53/432565353.db2.gz FVOLDSFYPYOHDK-CYBMUJFWSA-N 0 0 301.434 3.410 20 10 DGCDRN CN(C)c1ccc(C[N@H+](C)Cc2c[nH]nc2-c2cccnc2)cc1 ZINC000155198133 432544237 /nfs/dbraw/zinc/54/42/37/432544237.db2.gz SOGUKPDZMSMOBZ-UHFFFAOYSA-N 0 0 321.428 3.170 20 10 DGCDRN C[C@@H](C[S@@](C)=O)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000186541239 432605033 /nfs/dbraw/zinc/60/50/33/432605033.db2.gz VYZVAWLCCSCRKI-QQJLPTOTSA-N 0 0 310.246 3.117 20 10 DGCDRN CCCN(C)C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000264038143 432608089 /nfs/dbraw/zinc/60/80/89/432608089.db2.gz WZNHEJCGTANZPE-UHFFFAOYSA-N 0 0 302.418 3.387 20 10 DGCDRN CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCO1 ZINC000273546801 432609671 /nfs/dbraw/zinc/60/96/71/432609671.db2.gz ZODGCKSHKKJVGY-MQIPJXDCSA-N 0 0 308.378 3.155 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1csc(NCC)n1 ZINC000177136896 432589775 /nfs/dbraw/zinc/58/97/75/432589775.db2.gz PQTBKYHZRUAXHV-UHFFFAOYSA-N 0 0 319.430 3.333 20 10 DGCDRN Cc1cc(C(=O)NCCCCO)c(C)n1-c1cccc(Cl)c1 ZINC000194979391 432590955 /nfs/dbraw/zinc/59/09/55/432590955.db2.gz WRRZIJJDCYVYIB-UHFFFAOYSA-N 0 0 320.820 3.250 20 10 DGCDRN COc1cc(F)cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273459254 432601241 /nfs/dbraw/zinc/60/12/41/432601241.db2.gz HSXGBFGYDUWUKM-SNVBAGLBSA-N 0 0 320.320 3.299 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1ccc(F)cc1[O-] ZINC000273475441 432603032 /nfs/dbraw/zinc/60/30/32/432603032.db2.gz SSCMWJKGXZCUKI-BBRMVZONSA-N 0 0 303.377 3.176 20 10 DGCDRN Cc1ncc(/C=C/C(=O)N(C)c2cccc([N+](=O)[O-])c2)s1 ZINC000158113855 432639153 /nfs/dbraw/zinc/63/91/53/432639153.db2.gz HHSIYGOUDMADOE-VOTSOKGWSA-N 0 0 303.343 3.036 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCC[C@@H]1CCc1ccccc1 ZINC000186988370 432641870 /nfs/dbraw/zinc/64/18/70/432641870.db2.gz IEKKZKUGAVBNOJ-OAHLLOKOSA-N 0 0 311.381 3.335 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCC[C@H]1c1cccc(F)c1 ZINC000186988624 432641879 /nfs/dbraw/zinc/64/18/79/432641879.db2.gz NHXHVUUFVNTIJK-AWEZNQCLSA-N 0 0 301.317 3.214 20 10 DGCDRN O=C(N[C@H](c1ccccc1)c1ccncc1)c1cccc(O)c1O ZINC000187024043 432642964 /nfs/dbraw/zinc/64/29/64/432642964.db2.gz DMQAZNHFOPYAMC-QGZVFWFLSA-N 0 0 320.348 3.012 20 10 DGCDRN O=C(N[C@@H](c1ccccc1)c1ccncc1)c1cccc(O)c1O ZINC000187024023 432643342 /nfs/dbraw/zinc/64/33/42/432643342.db2.gz DMQAZNHFOPYAMC-KRWDZBQOSA-N 0 0 320.348 3.012 20 10 DGCDRN COc1ccccc1C[C@H](C)CC(=O)NCc1ccccc1O ZINC000264484491 432650217 /nfs/dbraw/zinc/65/02/17/432650217.db2.gz YJPPLYIILHTUGP-AWEZNQCLSA-N 0 0 313.397 3.286 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000158960720 432664557 /nfs/dbraw/zinc/66/45/57/432664557.db2.gz RASSULMNMISRQV-UZLBHIALSA-N 0 0 323.392 3.008 20 10 DGCDRN COc1ccc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])cc1O ZINC000187688426 432676473 /nfs/dbraw/zinc/67/64/73/432676473.db2.gz YNBMHKSULPLPKO-VIFPVBQESA-N 0 0 309.312 3.235 20 10 DGCDRN CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187805587 432686528 /nfs/dbraw/zinc/68/65/28/432686528.db2.gz RYFVRBFAIPIMIO-BMIGLBTASA-N 0 0 301.377 3.364 20 10 DGCDRN Cc1cccc([C@H](O)C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])c1 ZINC000187798235 432686636 /nfs/dbraw/zinc/68/66/36/432686636.db2.gz HFQZIYWHHRVICV-IAQYHMDHSA-N 0 0 307.340 3.363 20 10 DGCDRN CC[C@@H](C)c1nnc([C@H](C)NCc2ccc(N(C)C)cc2)[nH]1 ZINC000276761891 432824070 /nfs/dbraw/zinc/82/40/70/432824070.db2.gz AJBJELKEGXWRSW-OLZOCXBDSA-N 0 0 301.438 3.235 20 10 DGCDRN COc1ccc2c(c1)[C@@H](C(=O)NCc1ccc(N(C)C)cc1)CC2 ZINC000277147031 432830302 /nfs/dbraw/zinc/83/03/02/432830302.db2.gz AKPHSFHIWNYAPQ-SFHVURJKSA-N 0 0 324.424 3.107 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CCC[C@H]2C2CCC2)ccc1[N+](=O)[O-] ZINC000278267600 432891211 /nfs/dbraw/zinc/89/12/11/432891211.db2.gz READPIDCULIUAG-ZDUSSCGKSA-N 0 0 306.362 3.074 20 10 DGCDRN CC(C)C[C@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277394731 432845529 /nfs/dbraw/zinc/84/55/29/432845529.db2.gz NSZKUZLAEOBAMF-NSHDSACASA-N 0 0 324.808 3.244 20 10 DGCDRN [O-]c1c(F)cccc1C[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000277475184 432854058 /nfs/dbraw/zinc/85/40/58/432854058.db2.gz MIZOQQDMXSLLMJ-YJBOKZPZSA-N 0 0 301.361 3.399 20 10 DGCDRN C[C@@](O)(C[NH2+][C@@H]1CCc2cccc(O)c21)c1ccc(F)cc1 ZINC000296877230 432934244 /nfs/dbraw/zinc/93/42/44/432934244.db2.gz OBRHNVPBDITBLP-CRAIPNDOSA-N 0 0 301.361 3.016 20 10 DGCDRN CCOc1ccccc1NCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278573479 432897092 /nfs/dbraw/zinc/89/70/92/432897092.db2.gz DAXZOALPEMULBZ-UHFFFAOYSA-N 0 0 318.329 3.320 20 10 DGCDRN COC[C@@H](C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-])OC ZINC000278643750 432897618 /nfs/dbraw/zinc/89/76/18/432897618.db2.gz HQCOQQPMYJLEDF-RKDXNWHRSA-N 0 0 308.205 3.011 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@H](C)Cc2cccs2)ccc1[N+](=O)[O-] ZINC000278917742 432916444 /nfs/dbraw/zinc/91/64/44/432916444.db2.gz UKSDULNMNGNLFF-SNVBAGLBSA-N 0 0 322.386 3.091 20 10 DGCDRN CC[C@H]([NH2+]CCc1nnc(C)s1)c1cccc(Cl)c1[O-] ZINC000289926891 432978117 /nfs/dbraw/zinc/97/81/17/432978117.db2.gz VFSLOWYKRFCEOE-LBPRGKRZSA-N 0 0 311.838 3.489 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1ccc(F)cc1[O-] ZINC000297267826 432984677 /nfs/dbraw/zinc/98/46/77/432984677.db2.gz KLXZQGYEZWSZHA-RDJZCZTQSA-N 0 0 321.367 3.315 20 10 DGCDRN Cc1ncc(/C=C/C(=O)N2CCOCc3ccccc32)s1 ZINC000279623736 432988589 /nfs/dbraw/zinc/98/85/89/432988589.db2.gz YZKUEWYKNVUBCQ-VOTSOKGWSA-N 0 0 300.383 3.028 20 10 DGCDRN CCOCc1nc([C@H](C)N[C@@H](C)c2cc(C)ccc2O)no1 ZINC000290113707 432994797 /nfs/dbraw/zinc/99/47/97/432994797.db2.gz IWZZQKZJWYZALU-RYUDHWBXSA-N 0 0 305.378 3.032 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCSC1 ZINC000279345509 432957301 /nfs/dbraw/zinc/95/73/01/432957301.db2.gz RNDGLQCHFPWVCF-HNNXBMFYSA-N 0 0 321.490 3.037 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCCC[C@@H]1Cc1ccccc1 ZINC000279397093 432963904 /nfs/dbraw/zinc/96/39/04/432963904.db2.gz WDLOBGRLJXSTDC-OAHLLOKOSA-N 0 0 311.381 3.335 20 10 DGCDRN COc1cc(Cl)cc(CN[C@H](C2CC2)C(F)(F)F)c1O ZINC000290178834 433007326 /nfs/dbraw/zinc/00/73/26/433007326.db2.gz NOKJLSHVHXIWOP-GFCCVEGCSA-N 0 0 309.715 3.485 20 10 DGCDRN CON(C)C(=O)c1ccc(NCc2cc(C)c(C)cc2O)cc1 ZINC000290925003 433208228 /nfs/dbraw/zinc/20/82/28/433208228.db2.gz IUPWLZIWXVMUKS-UHFFFAOYSA-N 0 0 314.385 3.255 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1conc1C1CC1 ZINC000280905163 433219513 /nfs/dbraw/zinc/21/95/13/433219513.db2.gz HYZQMNWGWUFQHG-UHFFFAOYSA-N 0 0 313.401 3.280 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)CCCC2CCOCC2)cc1 ZINC000281097871 433262615 /nfs/dbraw/zinc/26/26/15/433262615.db2.gz BFFKNLYBGFQDJM-UHFFFAOYSA-N 0 0 318.461 3.308 20 10 DGCDRN Cc1ccc(CCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)s1 ZINC000291705623 433322279 /nfs/dbraw/zinc/32/22/79/433322279.db2.gz PIRPXJYZICNEQU-NSHDSACASA-N 0 0 319.426 3.148 20 10 DGCDRN CN1CCCN(C(=O)/C=C/c2cncs2)c2cc(F)ccc21 ZINC000281685264 433348452 /nfs/dbraw/zinc/34/84/52/433348452.db2.gz MOQMOHCOEFSGHB-GQCTYLIASA-N 0 0 317.389 3.169 20 10 DGCDRN O=C(CCCOCCc1ccccc1)NCc1ccccc1O ZINC000299542751 433372409 /nfs/dbraw/zinc/37/24/09/433372409.db2.gz JRPZCIBXGBTBSC-UHFFFAOYSA-N 0 0 313.397 3.048 20 10 DGCDRN Cc1cncc(CCC(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000291979308 433417677 /nfs/dbraw/zinc/41/76/77/433417677.db2.gz JJNRJVDRGDHYIF-UHFFFAOYSA-N 0 0 323.440 3.239 20 10 DGCDRN COc1ccc(N2CCC(Nc3nc(C(C)C)no3)CC2)cc1 ZINC000301300014 433496511 /nfs/dbraw/zinc/49/65/11/433496511.db2.gz ULZNINHSFUEDAC-UHFFFAOYSA-N 0 0 316.405 3.283 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1n[nH]c2c1CCC2 ZINC000282369250 433578633 /nfs/dbraw/zinc/57/86/33/433578633.db2.gz BZAFPGSFJFHCJR-UHFFFAOYSA-N 0 0 313.401 3.047 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C2CC2)no1 ZINC000282251940 433544781 /nfs/dbraw/zinc/54/47/81/433544781.db2.gz GUOYODOOOSZAGT-UHFFFAOYSA-N 0 0 313.401 3.280 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000292915229 433605108 /nfs/dbraw/zinc/60/51/08/433605108.db2.gz XJHOYUKOCKAVMJ-KOMQPUFPSA-N 0 0 314.360 3.277 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCC(F)(F)F ZINC000283026632 433648088 /nfs/dbraw/zinc/64/80/88/433648088.db2.gz PWLMSKLJEGCQBY-UHFFFAOYSA-N 0 0 304.312 3.266 20 10 DGCDRN CCc1nc([C@@H]2CCCCN2Cc2cc(F)ccc2O)no1 ZINC000376167897 433681826 /nfs/dbraw/zinc/68/18/26/433681826.db2.gz UMIFWNZQQIYUDE-ZDUSSCGKSA-N 0 0 305.353 3.204 20 10 DGCDRN COc1ccc(N2CCCN(c3ccnc(Cl)c3)CC2)cc1 ZINC000301634775 433650933 /nfs/dbraw/zinc/65/09/33/433650933.db2.gz VWIKJNPCUDRRIC-UHFFFAOYSA-N 0 0 317.820 3.460 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)c1ccc2nccnc2n1 ZINC000301737647 433699391 /nfs/dbraw/zinc/69/93/91/433699391.db2.gz CDFBUTPEIQLZHO-UHFFFAOYSA-N 0 0 307.401 3.117 20 10 DGCDRN COC(=O)c1ccc(N[C@H](C)c2ccc(N(C)C)cc2)nc1C ZINC000302389823 433821823 /nfs/dbraw/zinc/82/18/23/433821823.db2.gz JBUJZVNXIGBHFU-GFCCVEGCSA-N 0 0 313.401 3.416 20 10 DGCDRN CC[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cccc(Cl)c1[O-] ZINC000376861887 433833463 /nfs/dbraw/zinc/83/34/63/433833463.db2.gz VKPWYYGIFNNLNK-BXUZGUMPSA-N 0 0 305.809 3.367 20 10 DGCDRN OC[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)c2ccccc21 ZINC000293857145 433897368 /nfs/dbraw/zinc/89/73/68/433897368.db2.gz ICCPDDPUXNEBKH-NSHDSACASA-N 0 0 307.752 3.281 20 10 DGCDRN CC1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1c1cccnc1 ZINC000293896896 433913643 /nfs/dbraw/zinc/91/36/43/433913643.db2.gz QXLMFXMHIZELGZ-JHTBKMLMSA-N 0 0 324.380 3.116 20 10 DGCDRN COc1cc(Cl)cc(CN2C[C@]3(CCCO3)[C@H]2C2CC2)c1O ZINC000293933976 433932888 /nfs/dbraw/zinc/93/28/88/433932888.db2.gz HQSWKCFHILWABN-IAGOWNOFSA-N 0 0 323.820 3.198 20 10 DGCDRN C[N@@H+](Cc1cccc(Cl)c1[O-])C[C@H](O)Cc1ccccc1 ZINC000294076532 433988290 /nfs/dbraw/zinc/98/82/90/433988290.db2.gz YTNFCJFASWKAQB-OAHLLOKOSA-N 0 0 305.805 3.081 20 10 DGCDRN CN(CCO)c1ccc(NCc2cc(Cl)c(F)cc2O)cc1 ZINC000294220459 434045536 /nfs/dbraw/zinc/04/55/36/434045536.db2.gz LVVHRJZRBURNHI-UHFFFAOYSA-N 0 0 324.783 3.225 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)CSC(F)F)C2CC2)cc1 ZINC000294479925 434113984 /nfs/dbraw/zinc/11/39/84/434113984.db2.gz UBPIEQLDHBLCOH-UHFFFAOYSA-N 0 0 314.401 3.199 20 10 DGCDRN CCn1nc(C)c(CN(Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000294610058 434121474 /nfs/dbraw/zinc/12/14/74/434121474.db2.gz VZWVGOHIOMDCDU-UHFFFAOYSA-N 0 0 315.465 3.083 20 10 DGCDRN O=C(/C=C\c1cncs1)N1C[C@H]2CCCN2c2ccccc21 ZINC000493569612 294001876 /nfs/dbraw/zinc/00/18/76/294001876.db2.gz UVJXTXXSMFYZCS-MEJMFZKBSA-N 0 0 311.410 3.172 20 10 DGCDRN Cc1cc(C)c([C@H](C)Nc2cccc(OCC(N)=O)c2)c(O)c1 ZINC000294795684 434144801 /nfs/dbraw/zinc/14/48/01/434144801.db2.gz ORYJTCFEWJZTRS-ZDUSSCGKSA-N 0 0 314.385 3.046 20 10 DGCDRN COC(=O)c1cnc(SCCc2csc(C)n2)s1 ZINC000295156791 434233647 /nfs/dbraw/zinc/23/36/47/434233647.db2.gz GBXVZGOHPMUPPQ-UHFFFAOYSA-N 0 0 300.430 3.029 20 10 DGCDRN CC[C@@H]([NH2+][C@@H]1CC[C@H](C(=O)OC)C1)c1cccc(Cl)c1[O-] ZINC000286894175 434298587 /nfs/dbraw/zinc/29/85/87/434298587.db2.gz DEWOUEMGUXMJDM-MISXGVKJSA-N 0 0 311.809 3.428 20 10 DGCDRN Cc1cnn([C@@H]2CC[N@H+](Cc3c([O-])ccc(Cl)c3F)C2)c1 ZINC000365623120 434302046 /nfs/dbraw/zinc/30/20/46/434302046.db2.gz PSVBGVWCNWDFGR-LLVKDONJSA-N 0 0 309.772 3.137 20 10 DGCDRN CCN(Cc1nc(-c2cc(C)ccn2)no1)c1ccc(OC)cc1 ZINC000295734597 434433249 /nfs/dbraw/zinc/43/32/49/434433249.db2.gz WSUZXJUVRVWCBL-UHFFFAOYSA-N 0 0 324.384 3.475 20 10 DGCDRN O=C(NCc1cccc(Br)c1O)OC1CCCC1 ZINC000295812369 434439884 /nfs/dbraw/zinc/43/98/84/434439884.db2.gz BHQQUWZXFUZZLZ-UHFFFAOYSA-N 0 0 314.179 3.324 20 10 DGCDRN CC[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cccc(Cl)c1[O-] ZINC000367567674 434550848 /nfs/dbraw/zinc/55/08/48/434550848.db2.gz UZJORKSKAPNKGF-SMDDNHRTSA-N 0 0 305.809 3.367 20 10 DGCDRN O=C(/C=C/c1cnccn1)N1CCCSc2ccc(F)cc21 ZINC000491990538 295397860 /nfs/dbraw/zinc/39/78/60/295397860.db2.gz KZCXLTGQLINTNY-HWKANZROSA-N 0 0 315.373 3.158 20 10 DGCDRN Cc1nnc(-c2cccc(NCc3cccc(C)c3O)c2)n1C ZINC000360814036 434701501 /nfs/dbraw/zinc/70/15/01/434701501.db2.gz ZBYNCUFNLRKKLW-UHFFFAOYSA-N 0 0 308.385 3.417 20 10 DGCDRN Cn1ccnc1[C@@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000372880758 434860081 /nfs/dbraw/zinc/86/00/81/434860081.db2.gz LECIEJSRWNUTRU-OAHLLOKOSA-N 0 0 307.397 3.268 20 10 DGCDRN COc1cc(OC)cc(N(C)C(=O)/C=C\c2cncc(C)c2)c1 ZINC000491964196 434890863 /nfs/dbraw/zinc/89/08/63/434890863.db2.gz MPMFCQVQRMBLPH-WAYWQWQTSA-N 0 0 312.369 3.083 20 10 DGCDRN Cc1cncc(/C=C/C(=O)N2C[C@@H]3CCCN3c3ccccc32)c1 ZINC000492204285 434935695 /nfs/dbraw/zinc/93/56/95/434935695.db2.gz YJBIXYMNHBKZBM-IJDCCNJMSA-N 0 0 319.408 3.419 20 10 DGCDRN O=C(/C=C/c1cnccn1)N(CC1CCCCC1)c1ccccn1 ZINC000492239522 434941577 /nfs/dbraw/zinc/94/15/77/434941577.db2.gz OHEIYABZBNCTAI-MDZDMXLPSA-N 0 0 322.412 3.498 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1Cc2ccccc2NC1=O)c1ccc(F)cc1[O-] ZINC000527997622 435018740 /nfs/dbraw/zinc/01/87/40/435018740.db2.gz JBWYABWKRBQIJK-GOEBONIOSA-N 0 0 314.360 3.135 20 10 DGCDRN COc1cncc(/C=C/C(=O)N(C)c2cc(F)ccc2F)c1 ZINC000492523351 435002411 /nfs/dbraw/zinc/00/24/11/435002411.db2.gz SNFQAIOHVOWGMX-ZZXKWVIFSA-N 0 0 304.296 3.045 20 10 DGCDRN O=C(/C=C\c1cncc(F)c1)N1CCc2c1c(F)ccc2F ZINC000492855574 435062387 /nfs/dbraw/zinc/06/23/87/435062387.db2.gz UCVOIWFHBKQJPG-RJRFIUFISA-N 0 0 304.271 3.101 20 10 DGCDRN O=C(/C=C\c1cncs1)N(Cc1ccco1)c1ccccn1 ZINC000493153914 435117156 /nfs/dbraw/zinc/11/71/56/435117156.db2.gz BTTLWFBOUGMVTR-SREVYHEPSA-N 0 0 311.366 3.378 20 10 DGCDRN O=C(/C=C\c1cncs1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000493528974 435188348 /nfs/dbraw/zinc/18/83/48/435188348.db2.gz STPPAEIDUBEDCA-WAYWQWQTSA-N 0 0 315.354 3.044 20 10 DGCDRN O=C(/C=C\c1ccc(Cl)nc1)N1CCOc2ccccc21 ZINC000255265304 331726470 /nfs/dbraw/zinc/72/64/70/331726470.db2.gz OONPIIFKSPOZTG-VURMDHGXSA-N 0 0 300.745 3.174 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C\c2cnc(C)s2)c(OC)c1 ZINC000255281209 331728446 /nfs/dbraw/zinc/72/84/46/331728446.db2.gz YFEXAOBVSDUJFX-VURMDHGXSA-N 0 0 318.398 3.145 20 10 DGCDRN CSc1ccccc1N(C)C(=O)/C=C\c1cnn(C)c1C ZINC000255298085 331729406 /nfs/dbraw/zinc/72/94/06/331729406.db2.gz IGXVXYWGETYYFC-KTKRTIGZSA-N 0 0 301.415 3.127 20 10 DGCDRN CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Cc1ccc(N)cc1 ZINC000261604302 332289806 /nfs/dbraw/zinc/28/98/06/332289806.db2.gz CNHPWEVVXUORHY-GFCCVEGCSA-N 0 0 300.324 3.001 20 10 DGCDRN CCCOc1ccc(C[N@H+](C)[C@@H](CO)c2ccccc2)c(O)c1 ZINC000295143680 335132852 /nfs/dbraw/zinc/13/28/52/335132852.db2.gz ZYTNZSUXQPTFMC-SFHVURJKSA-N 0 0 315.413 3.346 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000278403391 334096082 /nfs/dbraw/zinc/09/60/82/334096082.db2.gz OPBBWOZGMKOOCK-MFKMUULPSA-N 0 0 323.742 3.181 20 10 DGCDRN CN1CCCc2cc(CNc3ccc4nccnc4n3)ccc21 ZINC000301135233 336291758 /nfs/dbraw/zinc/29/17/58/336291758.db2.gz ZDUWGDSYCQUGGB-UHFFFAOYSA-N 0 0 305.385 3.019 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cncnc1C1CC1 ZINC000582948418 337221159 /nfs/dbraw/zinc/22/11/59/337221159.db2.gz UFIKGCYQJCKEFZ-UHFFFAOYSA-N 0 0 320.396 3.084 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C/c2scnc2C)c(OC)c1 ZINC000186884276 340516666 /nfs/dbraw/zinc/51/66/66/340516666.db2.gz RWDBGBXNFFCJJB-BQYQJAHWSA-N 0 0 318.398 3.145 20 10 DGCDRN Nc1ccc(CC(=O)Nc2ccccc2N2CCCCC2)cc1 ZINC000237917834 340675139 /nfs/dbraw/zinc/67/51/39/340675139.db2.gz XSLQVJMFXCLKRA-UHFFFAOYSA-N 0 0 309.413 3.440 20 10 DGCDRN CC(C)(C)OC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000158134056 518796963 /nfs/dbraw/zinc/79/69/63/518796963.db2.gz DRQNGJSMRVMELP-AWEZNQCLSA-N 0 0 307.390 3.308 20 10 DGCDRN CC(C)CCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000248290822 519632915 /nfs/dbraw/zinc/63/29/15/519632915.db2.gz SQTVOSNXDREZDI-MRXNPFEDSA-N 0 0 305.418 3.336 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1C[C@@H]1C ZINC000266811525 519655170 /nfs/dbraw/zinc/65/51/70/519655170.db2.gz WHBFMNNWMYJLBP-HOCLYGCPSA-N 0 0 303.450 3.329 20 10 DGCDRN CCCC(O)(CCC)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000129689276 519885426 /nfs/dbraw/zinc/88/54/26/519885426.db2.gz IKFOLNOYPAXANN-UHFFFAOYSA-N 0 0 306.450 3.090 20 10 DGCDRN CCOCc1nnc(NCc2ccc(N(CC)CC)c(F)c2)o1 ZINC000181848045 520227411 /nfs/dbraw/zinc/22/74/11/520227411.db2.gz ARKZJHOVFLGPOP-UHFFFAOYSA-N 0 0 322.384 3.204 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccn(C(C)C)n2)cc1 ZINC000265009949 520903313 /nfs/dbraw/zinc/90/33/13/520903313.db2.gz LBHRIWZQXNPABK-UHFFFAOYSA-N 0 0 314.433 3.240 20 10 DGCDRN CCN(CC1CC1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000112214716 520946121 /nfs/dbraw/zinc/94/61/21/520946121.db2.gz JUPJVYSLWXYEMM-UHFFFAOYSA-N 0 0 301.434 3.011 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1sccc1OC ZINC000265334006 521320861 /nfs/dbraw/zinc/32/08/61/521320861.db2.gz UKOCMTWOFYLODZ-UHFFFAOYSA-N 0 0 318.442 3.485 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(Cl)cn1 ZINC000265446413 521321212 /nfs/dbraw/zinc/32/12/12/521321212.db2.gz MNNDCAGOUFSIGX-UHFFFAOYSA-N 0 0 317.820 3.463 20 10 DGCDRN CCC(CC)(C(=O)NCc1ccc(O)c(O)c1)c1ccccc1 ZINC000158961627 521385001 /nfs/dbraw/zinc/38/50/01/521385001.db2.gz ZLNPVDZIJRXSPY-UHFFFAOYSA-N 0 0 313.397 3.472 20 10 DGCDRN CCc1cccc2c(CCNC(=O)Cc3ccc(N)cc3)c[nH]c21 ZINC000237004903 521789829 /nfs/dbraw/zinc/78/98/29/521789829.db2.gz USIICGJMXQDQAZ-UHFFFAOYSA-N 0 0 321.424 3.214 20 10 DGCDRN CC[C@@H](C)Oc1ccc(C(=O)NCCc2ccc(N)cc2)cc1 ZINC000236921973 522263020 /nfs/dbraw/zinc/26/30/20/522263020.db2.gz ATFQYPAVINRRQO-CQSZACIVSA-N 0 0 312.413 3.419 20 10 DGCDRN COc1cc(O)c(CN2CCc3cccc(F)c3C2)cc1OC ZINC000160528727 522776218 /nfs/dbraw/zinc/77/62/18/522776218.db2.gz IOBGZQPBLAAIEE-UHFFFAOYSA-N 0 0 317.360 3.107 20 10 DGCDRN CN(Cc1cc(F)cc2c1OCOC2)c1ccc2c(c1)OCO2 ZINC000178881729 523181799 /nfs/dbraw/zinc/18/17/99/523181799.db2.gz CMXOFACXJQLAKE-UHFFFAOYSA-N 0 0 317.316 3.057 20 10 DGCDRN COCc1nc(C)cc(NCc2ccc(N3CCCC3)cc2)n1 ZINC000266059578 523191418 /nfs/dbraw/zinc/19/14/18/523191418.db2.gz YSHOBXMOETUXAD-UHFFFAOYSA-N 0 0 312.417 3.144 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCc1nc(C2CC2)cs1 ZINC000123357473 523380796 /nfs/dbraw/zinc/38/07/96/523380796.db2.gz RNIKLFBPULFJIX-UHFFFAOYSA-N 0 0 317.414 3.068 20 10 DGCDRN CO[C@H]1CCN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000267986330 523996127 /nfs/dbraw/zinc/99/61/27/523996127.db2.gz UWGJJWFPISRTQX-ZDUSSCGKSA-N 0 0 304.415 3.017 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCCOCC2)cc1 ZINC000180165434 524220018 /nfs/dbraw/zinc/22/00/18/524220018.db2.gz DFVGPCCJQKDYIN-KRWDZBQOSA-N 0 0 312.413 3.393 20 10 DGCDRN COc1ccc(N(C)Cc2cc(OC)c(OC)cc2O)cc1F ZINC000180774152 524353270 /nfs/dbraw/zinc/35/32/70/524353270.db2.gz VOYZQWAULSYIBR-UHFFFAOYSA-N 0 0 321.348 3.194 20 10 DGCDRN COc1ccc(N(Cc2cc(=O)c(O)co2)[C@H](C)C2CC2)cc1 ZINC000124745901 524367561 /nfs/dbraw/zinc/36/75/61/524367561.db2.gz IUXZOFQUKMJLKX-GFCCVEGCSA-N 0 0 315.369 3.159 20 10 DGCDRN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000237391355 524724031 /nfs/dbraw/zinc/72/40/31/524724031.db2.gz SISMIKNDQSUXRA-CWTRNNRKSA-N 0 0 312.388 3.390 20 10 DGCDRN Cc1ccc(OCCC(=O)N(C)Cc2ccccc2O)cc1C ZINC000119986112 525399045 /nfs/dbraw/zinc/39/90/45/525399045.db2.gz HOQXOESJSPIRQF-UHFFFAOYSA-N 0 0 313.397 3.437 20 10 DGCDRN Cc1c(/C=C/C(=O)N(CC(F)(F)F)c2ccccc2)cnn1C ZINC000130974031 525514463 /nfs/dbraw/zinc/51/44/63/525514463.db2.gz LRSXQVZNOHESIY-CMDGGOBGSA-N 0 0 323.318 3.337 20 10 DGCDRN C[C@@H]([NH2+]Cc1cccc2c1OCO2)c1ccc(F)c(F)c1[O-] ZINC000191213249 525536025 /nfs/dbraw/zinc/53/60/25/525536025.db2.gz WIFFEVQBARFODK-SECBINFHSA-N 0 0 307.296 3.250 20 10 DGCDRN C[C@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C(C)(C)C ZINC000265255780 525937018 /nfs/dbraw/zinc/93/70/18/525937018.db2.gz SVZPYOJLKMQDIT-OAHLLOKOSA-N 0 0 318.461 3.164 20 10 DGCDRN COc1cccc(CNc2cc3c(cc2Cl)OCCO3)c1O ZINC000237430895 526042433 /nfs/dbraw/zinc/04/24/33/526042433.db2.gz QTDYFURYWQUJLR-UHFFFAOYSA-N 0 0 321.760 3.438 20 10 DGCDRN Cc1cc(C(=O)NC2(C)CCOCC2)c(C)n1-c1ccccc1 ZINC000129961132 526263804 /nfs/dbraw/zinc/26/38/04/526263804.db2.gz HUHBZQOIQGFTHB-UHFFFAOYSA-N 0 0 312.413 3.393 20 10 DGCDRN O=C(C=C1CCC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000132223807 526314829 /nfs/dbraw/zinc/31/48/29/526314829.db2.gz VGVAKFTXFMNNJI-MRXNPFEDSA-N 0 0 301.386 3.010 20 10 DGCDRN Cc1csc(C2(NC(=O)c3cccc(O)c3O)CCCC2)n1 ZINC000188483071 526324925 /nfs/dbraw/zinc/32/49/25/526324925.db2.gz GMDFYOATPDZWOC-UHFFFAOYSA-N 0 0 318.398 3.062 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000158108129 526327514 /nfs/dbraw/zinc/32/75/14/526327514.db2.gz RCJRRUSWKLLTSG-JTQLQIEISA-N 0 0 322.758 3.019 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1C[C@H]2CCC[C@@H]2C1 ZINC000176485977 526680329 /nfs/dbraw/zinc/68/03/29/526680329.db2.gz VSZMBFDAYQYZAW-IAGOWNOFSA-N 0 0 313.445 3.228 20 10 DGCDRN Cc1nonc1CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000265673180 526701446 /nfs/dbraw/zinc/70/14/46/526701446.db2.gz YBVPSSGXXTYKTD-UHFFFAOYSA-N 0 0 300.406 3.000 20 10 DGCDRN CCOC(C)(C)CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000349954543 528417952 /nfs/dbraw/zinc/41/79/52/528417952.db2.gz MEJPEAMPTSUFKW-UHFFFAOYSA-N 0 0 317.433 3.101 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(Cl)n1 ZINC000299664356 528787039 /nfs/dbraw/zinc/78/70/39/528787039.db2.gz MGFANXULFAIKST-UHFFFAOYSA-N 0 0 317.820 3.463 20 10 DGCDRN CCCCc1noc(CN(CC)c2ccc(OC)c(OC)c2)n1 ZINC000299274328 535119872 /nfs/dbraw/zinc/11/98/72/535119872.db2.gz LGDITYJBAKPRCR-UHFFFAOYSA-N 0 0 319.405 3.456 20 10 DGCDRN CCOc1cccc(CNc2ccc(N3CCC3=O)cc2)c1O ZINC000282257687 535463440 /nfs/dbraw/zinc/46/34/40/535463440.db2.gz OZPLZESBDSCAKZ-UHFFFAOYSA-N 0 0 312.369 3.140 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2cccc(Cl)n2)cc1 ZINC000051073016 545689829 /nfs/dbraw/zinc/68/98/29/545689829.db2.gz QMWFXRPSNIGXIS-UHFFFAOYSA-N 0 0 303.793 3.073 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC2(c3ccccc3)CC2)cc1 ZINC000263827342 546342400 /nfs/dbraw/zinc/34/24/00/546342400.db2.gz SZGMPYQXCODHDU-UHFFFAOYSA-N 0 0 309.413 3.241 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(C)nc2)cc1F ZINC000731346319 574547648 /nfs/dbraw/zinc/54/76/48/574547648.db2.gz VJVHTTMSDVSROR-UHFFFAOYSA-N 0 0 315.392 3.305 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCc1cc(CC)no1 ZINC000741423502 574544832 /nfs/dbraw/zinc/54/48/32/574544832.db2.gz FRFBDDKVSPBKBH-UHFFFAOYSA-N 0 0 317.389 3.064 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCOCC2CC2)cc1 ZINC000731012455 574541617 /nfs/dbraw/zinc/54/16/17/574541617.db2.gz WLSSEYKTTVTSLN-UHFFFAOYSA-N 0 0 312.413 3.251 20 10 DGCDRN O=C(NC[C@H](c1cccs1)N1CCCC1)C1=CC(=O)CS1 ZINC000731866421 574560343 /nfs/dbraw/zinc/56/03/43/574560343.db2.gz NFBZSGUSCJZPMA-GFCCVEGCSA-N 0 0 322.455 3.082 20 10 DGCDRN COc1cc(OC)c(NC(=O)C2=CC(=O)CS2)cc1Cl ZINC000731864705 574560510 /nfs/dbraw/zinc/56/05/10/574560510.db2.gz DHTUFVCBOFNPCZ-UHFFFAOYSA-N 0 0 313.762 3.377 20 10 DGCDRN O=C(NC[C@@H](c1ccco1)N1CCCCC1)C1=CC(=O)CS1 ZINC000731863786 574560254 /nfs/dbraw/zinc/56/02/54/574560254.db2.gz DZGCLPPOXTYCJL-ZDUSSCGKSA-N 0 0 320.414 3.004 20 10 DGCDRN CC(C)n1ncc2cc(NC(=O)C3=CC(=O)CS3)cnc21 ZINC000731867732 574561164 /nfs/dbraw/zinc/56/11/64/574561164.db2.gz RQVGSIHOPHZWSA-UHFFFAOYSA-N 0 0 302.359 3.032 20 10 DGCDRN CN(Cc1ccccc1N1CCCC1)C(=O)C1=CC(=O)CS1 ZINC000731866584 574561183 /nfs/dbraw/zinc/56/11/83/574561183.db2.gz WWBUTCDPCIXHRH-UHFFFAOYSA-N 0 0 316.426 3.326 20 10 DGCDRN O=C(N[C@H](c1ccccc1)c1ccccn1)C1=CC(=O)CS1 ZINC000731868252 574561330 /nfs/dbraw/zinc/56/13/30/574561330.db2.gz UIYSKDWDMOVABS-MRXNPFEDSA-N 0 0 310.378 3.368 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CC[C@H](c3ccco3)C2)cc1 ZINC000732233462 574569310 /nfs/dbraw/zinc/56/93/10/574569310.db2.gz QYINACOQILWYAN-HNNXBMFYSA-N 0 0 313.401 3.045 20 10 DGCDRN COCCCOc1ccccc1NC(=O)C1=CC(=O)CS1 ZINC000732276113 574569919 /nfs/dbraw/zinc/56/99/19/574569919.db2.gz HBRZFOVOJWRHBY-UHFFFAOYSA-N 0 0 307.371 3.121 20 10 DGCDRN Cc1ccc(NC(=O)[C@@H](C)OC(=O)C2=CC(=O)CS2)c(F)c1 ZINC000732353499 574572123 /nfs/dbraw/zinc/57/21/23/574572123.db2.gz RLKBYVJLRFFNLI-SECBINFHSA-N 0 0 323.345 3.085 20 10 DGCDRN CCc1cc(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]n1 ZINC000732794906 574582817 /nfs/dbraw/zinc/58/28/17/574582817.db2.gz JIBIWCPSRKZDAK-UHFFFAOYSA-N 0 0 322.412 3.310 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)CO[C@@H]2CCC[C@H](C)C2)c1 ZINC000733000012 574591288 /nfs/dbraw/zinc/59/12/88/574591288.db2.gz LVTMTIHLZPFTNM-KCQAQPDRSA-N 0 0 321.417 3.173 20 10 DGCDRN C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000733332517 574616965 /nfs/dbraw/zinc/61/69/65/574616965.db2.gz CYKNXJOXUGIAGV-JKIFEVAISA-N 0 0 303.450 3.377 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3cc4ccccn4c3)ccc21 ZINC000733926414 574645238 /nfs/dbraw/zinc/64/52/38/574645238.db2.gz LECKQBZMTXNJHY-UHFFFAOYSA-N 0 0 319.408 3.252 20 10 DGCDRN CCSc1ccccc1C(=O)NCc1cc(OC)ccc1O ZINC000734015451 574648168 /nfs/dbraw/zinc/64/81/68/574648168.db2.gz KVNDKAPTBYBTQQ-UHFFFAOYSA-N 0 0 317.410 3.443 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2ccc(OC(C)C)cc2)c1 ZINC000734018054 574648173 /nfs/dbraw/zinc/64/81/73/574648173.db2.gz CMSFAUFYOADCMQ-UHFFFAOYSA-N 0 0 315.369 3.118 20 10 DGCDRN CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1cc(OC)ccc1O ZINC000734066463 574649784 /nfs/dbraw/zinc/64/97/84/574649784.db2.gz OQKCAFUXCKFRTA-DOMZBBRYSA-N 0 0 306.406 3.169 20 10 DGCDRN CC[C@@H](NC(=O)NCc1cc(OC)ccc1O)c1ccccc1 ZINC000734068205 574649794 /nfs/dbraw/zinc/64/97/94/574649794.db2.gz WDKMBAYQQUEMJQ-MRXNPFEDSA-N 0 0 314.385 3.351 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)/C=C\c1cccs1 ZINC000734406240 574659985 /nfs/dbraw/zinc/65/99/85/574659985.db2.gz SFMZOEVQWXYAAO-HJWRWDBZSA-N 0 0 300.427 3.452 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)CC1CCCCC1 ZINC000734501192 574665104 /nfs/dbraw/zinc/66/51/04/574665104.db2.gz FZJYLBMHAUOBMT-UHFFFAOYSA-N 0 0 324.490 3.061 20 10 DGCDRN Cc1nc(NC(=O)NCCCSc2nccs2)oc1C ZINC000734512115 574665559 /nfs/dbraw/zinc/66/55/59/574665559.db2.gz CFYFZNYXAXYPDV-UHFFFAOYSA-N 0 0 312.420 3.052 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000734526789 574666583 /nfs/dbraw/zinc/66/65/83/574666583.db2.gz UHRJQHIYZFUYSC-CJNGLKHVSA-N 0 0 303.450 3.439 20 10 DGCDRN Cc1cc(NCc2ccc(N(C)C)c(F)c2)nc(C2CC2)n1 ZINC000734835402 574680120 /nfs/dbraw/zinc/68/01/20/574680120.db2.gz VQWRTEQGWPJUBS-UHFFFAOYSA-N 0 0 300.381 3.480 20 10 DGCDRN C[C@H](CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1 ZINC000735518714 574705686 /nfs/dbraw/zinc/70/56/86/574705686.db2.gz JYORHUILQFLXKV-PBHICJAKSA-N 0 0 317.429 3.336 20 10 DGCDRN COc1ccc(NC(=S)NNc2c(F)cccc2F)cc1 ZINC000735627949 574709369 /nfs/dbraw/zinc/70/93/69/574709369.db2.gz ZRVWZVWPKMIZPV-UHFFFAOYSA-N 0 0 309.341 3.287 20 10 DGCDRN CCCCOCC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000735654082 574711024 /nfs/dbraw/zinc/71/10/24/574711024.db2.gz FWQYIFIETCMMLJ-UHFFFAOYSA-N 0 0 304.434 3.110 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)/C=C/C1CCOCC1 ZINC000735858432 574718319 /nfs/dbraw/zinc/71/83/19/574718319.db2.gz ZPKKCDMYZDHEPV-BQYQJAHWSA-N 0 0 303.402 3.114 20 10 DGCDRN C[C@H](C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C1CC1)C(=O)[O-] ZINC000736584026 574759903 /nfs/dbraw/zinc/75/99/03/574759903.db2.gz OLJWDYYOYFUGRZ-LLVKDONJSA-N 0 0 321.417 3.080 20 10 DGCDRN CCO[C@H](C)c1noc(CN(CC)c2ccc(OC)cc2)n1 ZINC000736621033 574761322 /nfs/dbraw/zinc/76/13/22/574761322.db2.gz QDDWQIYWHRSBJL-GFCCVEGCSA-N 0 0 305.378 3.202 20 10 DGCDRN C[C@@H]1C[C@H](C)CN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000741082523 574950678 /nfs/dbraw/zinc/95/06/78/574950678.db2.gz KXTPFPRMEOEGJV-UONOGXRCSA-N 0 0 301.434 3.009 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C)CCCOC(C)C ZINC000741089220 574951000 /nfs/dbraw/zinc/95/10/00/574951000.db2.gz NEKFWTLVMCTHDV-UHFFFAOYSA-N 0 0 321.465 3.018 20 10 DGCDRN CCn1c2cccc(F)c2nc1/C(Cl)=C\c1cn(C)nn1 ZINC000741467483 574958906 /nfs/dbraw/zinc/95/89/06/574958906.db2.gz OOGTZULXROHQIS-JXMROGBWSA-N 0 0 305.744 3.061 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2c(F)cc(F)cc2F)cc1 ZINC000741665898 574966007 /nfs/dbraw/zinc/96/60/07/574966007.db2.gz QYNAEEQTVZVGOM-UHFFFAOYSA-N 0 0 322.330 3.442 20 10 DGCDRN CCN(C)c1ccc(CNC2(c3noc(C)n3)CCCC2)cc1 ZINC000741754670 574968752 /nfs/dbraw/zinc/96/87/52/574968752.db2.gz VADGSJUOQLSZRP-UHFFFAOYSA-N 0 0 314.433 3.393 20 10 DGCDRN CN1CCCc2cc(CNC(=O)[C@@H]3Cc4ccccc43)ccc21 ZINC000741914746 574976178 /nfs/dbraw/zinc/97/61/78/574976178.db2.gz KOIQUBBHECULPM-GOSISDBHSA-N 0 0 306.409 3.025 20 10 DGCDRN Cc1ccncc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000742056802 574980310 /nfs/dbraw/zinc/98/03/10/574980310.db2.gz DVGLXWQQCDMSMB-UHFFFAOYSA-N 0 0 309.413 3.310 20 10 DGCDRN CCOc1ccc(CN[C@H](C)c2nc(C(C)(C)C)no2)c(O)c1 ZINC000742390513 574995951 /nfs/dbraw/zinc/99/59/51/574995951.db2.gz JKAGNXZFPZVKMT-LLVKDONJSA-N 0 0 319.405 3.322 20 10 DGCDRN O=C(NCc1ccccc1O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000743326722 575043213 /nfs/dbraw/zinc/04/32/13/575043213.db2.gz HTGUCGRJFKRRHG-GXTWGEPZSA-N 0 0 303.308 3.090 20 10 DGCDRN O=C(Cc1cccnc1)N(Cc1ccco1)Cc1ccccc1O ZINC000743430131 575050809 /nfs/dbraw/zinc/05/08/09/575050809.db2.gz CNZCSANFRBOHQE-UHFFFAOYSA-N 0 0 322.364 3.152 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NCCC(F)(F)F)cc1 ZINC000743552918 575056678 /nfs/dbraw/zinc/05/66/78/575056678.db2.gz VIUYUCSFLQFXFG-UHFFFAOYSA-N 0 0 317.355 3.284 20 10 DGCDRN C[C@@H]1CN(C(=O)C2=CC(=O)CS2)C[C@@H](c2ccc(F)cc2)O1 ZINC000743637687 575059573 /nfs/dbraw/zinc/05/95/73/575059573.db2.gz LYELGQOZFWEHFK-YGRLFVJLSA-N 0 0 321.373 3.195 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)cc1 ZINC000743638759 575060005 /nfs/dbraw/zinc/06/00/05/575060005.db2.gz UIBQGXBLCPMCRT-PKOBYXMFSA-N 0 0 323.440 3.183 20 10 DGCDRN Cc1ccc(CC[C@H](C)NC(=O)NCc2ccccc2O)o1 ZINC000743672305 575060450 /nfs/dbraw/zinc/06/04/50/575060450.db2.gz IBFGRJHKNOXNSD-LBPRGKRZSA-N 0 0 302.374 3.114 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CCSC2)cc1 ZINC000743691886 575061353 /nfs/dbraw/zinc/06/13/53/575061353.db2.gz UYEZLSGKQDBHDC-OAHLLOKOSA-N 0 0 321.490 3.180 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc2c(c1)COC2 ZINC000743719781 575062502 /nfs/dbraw/zinc/06/25/02/575062502.db2.gz SKGSPOHQBBRGLW-UHFFFAOYSA-N 0 0 323.392 3.231 20 10 DGCDRN CC[C@@H](COC)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000737710983 575192036 /nfs/dbraw/zinc/19/20/36/575192036.db2.gz DRURWHMMFKNIFT-INIZCTEOSA-N 0 0 300.402 3.249 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccccc2F)c1 ZINC000728938768 575196502 /nfs/dbraw/zinc/19/65/02/575196502.db2.gz PZDHXRFTBGXRDV-SNVBAGLBSA-N 0 0 304.321 3.423 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Cc2ccc(C)c(C)c2)c1 ZINC000728980497 575198933 /nfs/dbraw/zinc/19/89/33/575198933.db2.gz HZZLROAOGMFOJG-CQSZACIVSA-N 0 0 313.397 3.438 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(OC)c(F)c2)c1 ZINC000728985000 575199158 /nfs/dbraw/zinc/19/91/58/575199158.db2.gz UWIVFNYFVOWVRO-SNVBAGLBSA-N 0 0 319.332 3.040 20 10 DGCDRN COc1ccc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000728939128 575196451 /nfs/dbraw/zinc/19/64/51/575196451.db2.gz XPLDRCMDSIUFLX-NSHDSACASA-N 0 0 316.357 3.292 20 10 DGCDRN COc1cccc(CNC(=O)c2ccc(OC(C)C)cc2)c1O ZINC000729861062 575265039 /nfs/dbraw/zinc/26/50/39/575265039.db2.gz AIZWNFIDEXIDNZ-UHFFFAOYSA-N 0 0 315.369 3.118 20 10 DGCDRN CCN(CC(=O)N1[C@H](C)CCC[C@@H]1C)c1ccc(OC)cc1 ZINC000744391649 575339478 /nfs/dbraw/zinc/33/94/78/575339478.db2.gz DINQSBWTBPRPHK-GASCZTMLSA-N 0 0 304.434 3.311 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)C1CC1 ZINC000745324180 575390336 /nfs/dbraw/zinc/39/03/36/575390336.db2.gz XXIXTSYNVUDDTL-CQSZACIVSA-N 0 0 303.450 3.471 20 10 DGCDRN CC(C)C1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000745788968 575417642 /nfs/dbraw/zinc/41/76/42/575417642.db2.gz WXHGZTWVFKEKIT-UHFFFAOYSA-N 0 0 321.440 3.469 20 10 DGCDRN C[C@@H]1[C@@H](C)CCCN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000745788198 575417720 /nfs/dbraw/zinc/41/77/20/575417720.db2.gz GUHOPGQVKRBEOJ-LSDHHAIUSA-N 0 0 315.461 3.399 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCC(C1CC1)C1CC1 ZINC000745828978 575419932 /nfs/dbraw/zinc/41/99/32/575419932.db2.gz WZLBEVUOCVTNFD-UHFFFAOYSA-N 0 0 315.461 3.296 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCn1cccc1 ZINC000746145483 575435679 /nfs/dbraw/zinc/43/56/79/575435679.db2.gz SGCXHQUJWOUAGE-UHFFFAOYSA-N 0 0 313.445 3.381 20 10 DGCDRN COc1ccc(N(CC(=O)N2CCC(C)CC2)CC(C)C)cc1 ZINC000746171181 575437352 /nfs/dbraw/zinc/43/73/52/575437352.db2.gz UECUUCXKGMMSMZ-UHFFFAOYSA-N 0 0 318.461 3.416 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)C(C)(C)O)c(C)n1-c1ccccc1C ZINC000746333473 575447133 /nfs/dbraw/zinc/44/71/33/575447133.db2.gz JZWMEAZQFMYEIG-HNNXBMFYSA-N 0 0 314.429 3.292 20 10 DGCDRN COCCN(Cc1cccc(C)n1)c1ccc(OC)c(OC)c1 ZINC000746478299 575454833 /nfs/dbraw/zinc/45/48/33/575454833.db2.gz SAYWADDUWJGPBY-UHFFFAOYSA-N 0 0 316.401 3.060 20 10 DGCDRN CC(C)(O)CCN1CCCc2cc(OC(F)(F)F)ccc21 ZINC000746503494 575456427 /nfs/dbraw/zinc/45/64/27/575456427.db2.gz SKWIGDSRSRLRBA-UHFFFAOYSA-N 0 0 303.324 3.499 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc2n[nH]cc2c1 ZINC000746688889 575470062 /nfs/dbraw/zinc/47/00/62/575470062.db2.gz KSAVNOWZJYWPEZ-UHFFFAOYSA-N 0 0 309.369 3.321 20 10 DGCDRN CN1CCCc2cc(CNC(=O)/C=C/c3ccsc3)ccc21 ZINC000746809322 575475951 /nfs/dbraw/zinc/47/59/51/575475951.db2.gz VIXMBKYZUOQXNP-FNORWQNLSA-N 0 0 312.438 3.460 20 10 DGCDRN CN(C)c1ccc(CNC(=O)/C=C\c2ccsc2)cc1F ZINC000746798690 575476010 /nfs/dbraw/zinc/47/60/10/575476010.db2.gz POCWERGEIZRJDG-XQRVVYSFSA-N 0 0 304.390 3.283 20 10 DGCDRN CCCN(CC)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000746957672 575486520 /nfs/dbraw/zinc/48/65/20/575486520.db2.gz BZGWMZKOLPUKBK-HNNXBMFYSA-N 0 0 319.449 3.026 20 10 DGCDRN C[C@H]1C[C@H](C)CN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000746981161 575487525 /nfs/dbraw/zinc/48/75/25/575487525.db2.gz MNDRNMNYJAEOKQ-GJZGRUSLSA-N 0 0 315.461 3.257 20 10 DGCDRN CC(C)[C@H](C)N(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000746982628 575488383 /nfs/dbraw/zinc/48/83/83/575488383.db2.gz FKJQAMVHIYZYFR-AWEZNQCLSA-N 0 0 303.450 3.255 20 10 DGCDRN COC(=O)/C=C/c1ccc(N2C[C@@H](C)CC2(C)C)c([N+](=O)[O-])c1 ZINC000747227043 575507262 /nfs/dbraw/zinc/50/72/62/575507262.db2.gz WPKYKDFBNDSUPW-WMADIVHISA-N 0 0 318.373 3.406 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OCc1ccnn1C ZINC000747259798 575508770 /nfs/dbraw/zinc/50/87/70/575508770.db2.gz YJDPVIUMNMMRQM-UHFFFAOYSA-N 0 0 315.398 3.246 20 10 DGCDRN COC(=O)c1cc(CN2CCCc3cc(OC)ccc32)c(C)o1 ZINC000747449297 575518103 /nfs/dbraw/zinc/51/81/03/575518103.db2.gz GUTSVPCWJGDRIB-UHFFFAOYSA-N 0 0 315.369 3.336 20 10 DGCDRN COc1c(C)cnc(CNC(=S)Nc2ccc(F)cc2)c1C ZINC000747618480 575527608 /nfs/dbraw/zinc/52/76/08/575527608.db2.gz DUSCWVPSZVRZIP-UHFFFAOYSA-N 0 0 319.405 3.333 20 10 DGCDRN O=C(NOCc1ccc(C(F)(F)F)cc1)C1=CC(=O)CS1 ZINC000747617008 575527611 /nfs/dbraw/zinc/52/76/11/575527611.db2.gz NNMYXSZBQWWRSU-UHFFFAOYSA-N 0 0 317.288 3.334 20 10 DGCDRN CN1CCCc2cc(/C=C3\N=C(c4ccccc4)OC3=O)ccc21 ZINC000748044871 575558188 /nfs/dbraw/zinc/55/81/88/575558188.db2.gz NHCWJPZZDUJGGL-LGMDPLHJSA-N 0 0 318.376 3.414 20 10 DGCDRN CC(=O)c1ccc(NC(=S)NCc2ccccc2O)cc1 ZINC000748159164 575565135 /nfs/dbraw/zinc/56/51/35/575565135.db2.gz SZEUWRFHGTZWGB-UHFFFAOYSA-N 0 0 300.383 3.081 20 10 DGCDRN O=C(C1=CC(=O)CS1)N(Cc1cccc(O)c1)CC1CC1 ZINC000748315248 575580033 /nfs/dbraw/zinc/58/00/33/575580033.db2.gz ULPQCWRMCVRCSD-UHFFFAOYSA-N 0 0 303.383 3.212 20 10 DGCDRN CC(C)(C)c1ccc(OCC(=O)NCc2ccccc2O)cc1 ZINC000748352628 575582641 /nfs/dbraw/zinc/58/26/41/575582641.db2.gz FCRQRODOKQHOIG-UHFFFAOYSA-N 0 0 313.397 3.385 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@H]1CCSc2ccccc21 ZINC000748458687 575587944 /nfs/dbraw/zinc/58/79/44/575587944.db2.gz AXGSPLWGRPSUSQ-AWEZNQCLSA-N 0 0 314.410 3.429 20 10 DGCDRN CC[C@H](NC(=O)NCc1ccccc1O)c1ccccc1OC ZINC000748461471 575588690 /nfs/dbraw/zinc/58/86/90/575588690.db2.gz YOTSCFRBWPUKMQ-HNNXBMFYSA-N 0 0 314.385 3.351 20 10 DGCDRN Cc1cc(C(=O)Nc2c(C)noc2C)c(C)n1-c1ccccn1 ZINC000748728822 575603039 /nfs/dbraw/zinc/60/30/39/575603039.db2.gz SXMSUQNWUIPNPF-UHFFFAOYSA-N 0 0 310.357 3.346 20 10 DGCDRN C[C@H](NC(=O)CCC1CCC1)c1ccc(N2CCOCC2)cc1 ZINC000749357931 575647785 /nfs/dbraw/zinc/64/77/85/575647785.db2.gz AETHULANCMRKQP-HNNXBMFYSA-N 0 0 316.445 3.281 20 10 DGCDRN Cc1cnc(CN2CCCc3cc(OC(F)F)ccc32)cn1 ZINC000749440216 575655850 /nfs/dbraw/zinc/65/58/50/575655850.db2.gz AKSVQPGVFMQEDL-UHFFFAOYSA-N 0 0 305.328 3.339 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3cccc(Cl)n3)ccc21 ZINC000749508890 575662383 /nfs/dbraw/zinc/66/23/83/575662383.db2.gz MQXKHCRVQXRCSJ-UHFFFAOYSA-N 0 0 315.804 3.047 20 10 DGCDRN CC(C)(C)c1ccc2c(c1)CCN2C(=O)/C=C/c1cnccn1 ZINC000749805052 575679899 /nfs/dbraw/zinc/67/98/99/575679899.db2.gz MJXDCFGTJMAWNA-FNORWQNLSA-N 0 0 307.397 3.377 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ncccc2C)cc1F ZINC000749985297 575694700 /nfs/dbraw/zinc/69/47/00/575694700.db2.gz FKAWDBDDBSZVBC-UHFFFAOYSA-N 0 0 315.392 3.305 20 10 DGCDRN CCn1cc(CN(C)Cc2cc(Cl)cc(C(C)=O)c2O)cn1 ZINC000750048115 575699868 /nfs/dbraw/zinc/69/98/68/575699868.db2.gz YYASHLDFASFBAR-UHFFFAOYSA-N 0 0 321.808 3.097 20 10 DGCDRN CC(=O)c1cc(F)cc(C[N@@H+](C)C2Cc3ccccc3C2)c1[O-] ZINC000750818680 575753547 /nfs/dbraw/zinc/75/35/47/575753547.db2.gz ACHWEMKFEFJQOI-UHFFFAOYSA-N 0 0 313.372 3.333 20 10 DGCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CC2CC2)cc1 ZINC000751405359 575784030 /nfs/dbraw/zinc/78/40/30/575784030.db2.gz MAKBQWKENXFHDZ-SFHVURJKSA-N 0 0 316.445 3.060 20 10 DGCDRN Cc1ccc(C(=O)Nc2cc(-c3cccs3)[nH]n2)c(O)c1O ZINC000751533669 575789475 /nfs/dbraw/zinc/78/94/75/575789475.db2.gz BGFDCNAJXKQFMF-UHFFFAOYSA-N 0 0 315.354 3.110 20 10 DGCDRN Nc1ccc(Cc2nc(C(=O)OC3CCCC3)cs2)cc1 ZINC000751930958 575812725 /nfs/dbraw/zinc/81/27/25/575812725.db2.gz KMYJGRSKUWFQGJ-UHFFFAOYSA-N 0 0 302.399 3.416 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@H](C)[C@H](C)C2)cc1F ZINC000752010356 575817914 /nfs/dbraw/zinc/81/79/14/575817914.db2.gz OUDRDUJTKYFCHZ-OKILXGFUSA-N 0 0 321.440 3.469 20 10 DGCDRN COc1ccc(N(C)CCOc2ccccc2F)c(OC)c1 ZINC000752112753 575823757 /nfs/dbraw/zinc/82/37/57/575823757.db2.gz KJEZZVCLQMIZQY-UHFFFAOYSA-N 0 0 305.349 3.358 20 10 DGCDRN C[C@H](CC(=O)NCc1ccccc1O)c1ccc(F)cc1F ZINC000752128839 575824291 /nfs/dbraw/zinc/82/42/91/575824291.db2.gz GLBALMZIUUOKMG-LLVKDONJSA-N 0 0 305.324 3.480 20 10 DGCDRN COc1ccc(N(C)Cc2cccc3c2OCCO3)c(OC)c1 ZINC000752126772 575824423 /nfs/dbraw/zinc/82/44/23/575824423.db2.gz VEEYKBPXIMNQDB-UHFFFAOYSA-N 0 0 315.369 3.111 20 10 DGCDRN COCC[C@H](C)NC(=O)c1sccc1-n1c(C)ccc1C ZINC000725722214 575842631 /nfs/dbraw/zinc/84/26/31/575842631.db2.gz QMRTUFLBMBBGAJ-NSHDSACASA-N 0 0 306.431 3.310 20 10 DGCDRN Cc1ccc([C@H](C)C(=O)NCc2ccc(N(C)C)cc2C)o1 ZINC000742685144 575898270 /nfs/dbraw/zinc/89/82/70/575898270.db2.gz YCYLWSMARUVDIT-AWEZNQCLSA-N 0 0 300.402 3.382 20 10 DGCDRN C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000725847309 575929172 /nfs/dbraw/zinc/92/91/72/575929172.db2.gz ZQHVJGXOARJMGG-QMTHXVAHSA-N 0 0 302.330 3.307 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc(Cl)cc2O)cc1 ZINC000744380753 575934747 /nfs/dbraw/zinc/93/47/47/575934747.db2.gz BRVASDWKQGXUTL-UHFFFAOYSA-N 0 0 304.777 3.042 20 10 DGCDRN CO[C@H](C)CCNC(=O)c1sccc1-n1c(C)ccc1C ZINC000726547827 576030903 /nfs/dbraw/zinc/03/09/03/576030903.db2.gz GLBLHNVGKCTZGI-CYBMUJFWSA-N 0 0 306.431 3.310 20 10 DGCDRN Cc1cccc(CC(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000726756024 576039143 /nfs/dbraw/zinc/03/91/43/576039143.db2.gz UGKPFBGEJOYHIY-UHFFFAOYSA-N 0 0 300.377 3.059 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC2CC(c3ccccc3)C2)cc1 ZINC000728302723 576174493 /nfs/dbraw/zinc/17/44/93/576174493.db2.gz RTYMTIDMFXDTHC-UHFFFAOYSA-N 0 0 323.440 3.498 20 10 DGCDRN Cc1cc(C(=O)OCc2cscn2)c(C)n1-c1ccccn1 ZINC000728323002 576175506 /nfs/dbraw/zinc/17/55/06/576175506.db2.gz QVGIRFIDFMEUPP-UHFFFAOYSA-N 0 0 313.382 3.303 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=S)Nc2ccccc2)c1 ZINC000728793353 576204430 /nfs/dbraw/zinc/20/44/30/576204430.db2.gz QXAMDJZEUHPTLE-NSHDSACASA-N 0 0 302.399 3.448 20 10 DGCDRN Cc1cccc2[nH]cc(CC(=O)NCc3ccc(N(C)C)cc3)c21 ZINC000728804946 576206579 /nfs/dbraw/zinc/20/65/79/576206579.db2.gz OPDPKHMNDSMYAD-UHFFFAOYSA-N 0 0 321.424 3.401 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C(C)C)C2CC2)c1 ZINC000852649643 620637736 /nfs/dbraw/zinc/63/77/36/620637736.db2.gz RDCLKFLHFFQNHR-MEDUHNTESA-N 0 0 306.406 3.196 20 10 DGCDRN Cc1cc(CN[C@@H](CO)c2ccc(F)cc2F)ccc1N(C)C ZINC000852713944 620642310 /nfs/dbraw/zinc/64/23/10/620642310.db2.gz RSLZLTJUEGCGGA-KRWDZBQOSA-N 0 0 320.383 3.162 20 10 DGCDRN O=C([O-])C[N@H+](Cc1ccccc1)Cc1cc(Cl)ccc1O ZINC000692417114 600314244 /nfs/dbraw/zinc/31/42/44/600314244.db2.gz ZKLNODSILCVVSU-UHFFFAOYSA-N 0 0 305.761 3.132 20 10 DGCDRN Cc1cc(C(=O)Nc2ccc(N)cc2)c(C)n1C1CCOCC1 ZINC000852789536 620649203 /nfs/dbraw/zinc/64/92/03/620649203.db2.gz BCABLXURGXPJNI-UHFFFAOYSA-N 0 0 313.401 3.291 20 10 DGCDRN CCCCOC(=O)CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000917075118 620654826 /nfs/dbraw/zinc/65/48/26/620654826.db2.gz QMDUGXLOSHNCIT-UHFFFAOYSA-N 0 0 306.450 3.306 20 10 DGCDRN Cc1cc(CC(=O)OCc2nccn2C)c(C)n1-c1ccccc1 ZINC000853111683 620670213 /nfs/dbraw/zinc/67/02/13/620670213.db2.gz APQUSWFVYWZCON-UHFFFAOYSA-N 0 0 323.396 3.114 20 10 DGCDRN CCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cccc(O)c1O ZINC000917500227 620670814 /nfs/dbraw/zinc/67/08/14/620670814.db2.gz YXFGBODMWBRLTF-OAHLLOKOSA-N 0 0 318.760 3.338 20 10 DGCDRN CCOc1cccc(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1O ZINC000390164243 604681718 /nfs/dbraw/zinc/68/17/18/604681718.db2.gz MRBZBIBDCOYGPO-CFVMTHIKSA-N 0 0 319.401 3.009 20 10 DGCDRN CC(C)CO[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917643686 620680016 /nfs/dbraw/zinc/68/00/16/620680016.db2.gz YZPMQNRSCYCOLN-OAHLLOKOSA-N 0 0 318.461 3.305 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cc1[O-] ZINC000853241019 620681487 /nfs/dbraw/zinc/68/14/87/620681487.db2.gz RRVLWYWWCOLOOO-ZFWWWQNUSA-N 0 0 306.425 3.304 20 10 DGCDRN CCOC(=O)c1cccc(N(CC)C(=O)/C=C\c2cccnc2)c1 ZINC000917874856 620686911 /nfs/dbraw/zinc/68/69/11/620686911.db2.gz UHXCYKFCQPLHHU-KHPPLWFESA-N 0 0 324.380 3.325 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000918077169 620696412 /nfs/dbraw/zinc/69/64/12/620696412.db2.gz WUOUSXUCMXWSOZ-KBPBESRZSA-N 0 0 318.442 3.189 20 10 DGCDRN C[C@H]1C[C@H]1c1ccc(CNC(=O)N(C)Cc2ccccc2O)o1 ZINC000918077978 620696646 /nfs/dbraw/zinc/69/66/46/620696646.db2.gz KWLWZBLOXMOHMT-SWLSCSKDSA-N 0 0 314.385 3.450 20 10 DGCDRN COC(=O)/C=C/c1ccc(N2C[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000853719237 620728871 /nfs/dbraw/zinc/72/88/71/620728871.db2.gz KTKARXUTJGQPOB-CYUPMTOZSA-N 0 0 316.357 3.160 20 10 DGCDRN COc1ccc(N2CC[C@@H](Nc3nc4ccccc4[nH]3)C2)cc1 ZINC000853758903 620734385 /nfs/dbraw/zinc/73/43/85/620734385.db2.gz MKLBQWDBUDRUDZ-CYBMUJFWSA-N 0 0 308.385 3.262 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCS[C@H](C)C1 ZINC000919080728 620735524 /nfs/dbraw/zinc/73/55/24/620735524.db2.gz FVPJLMBFADMULF-UKRRQHHQSA-N 0 0 321.490 3.144 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H]2C2CCCC2)cc1 ZINC000889413917 617616635 /nfs/dbraw/zinc/61/66/35/617616635.db2.gz JOTPYNODDNOFFZ-CQSZACIVSA-N 0 0 300.362 3.254 20 10 DGCDRN CS[C@@H]1CCC[C@@H](NC(=O)NCc2c(O)cccc2F)C1 ZINC000919224999 620740705 /nfs/dbraw/zinc/74/07/05/620740705.db2.gz DGESIXOCSAUCJC-GHMZBOCLSA-N 0 0 312.410 3.005 20 10 DGCDRN CS[C@H]1CCC[C@H](NC(=O)NCc2c(O)cccc2F)C1 ZINC000919225001 620740807 /nfs/dbraw/zinc/74/08/07/620740807.db2.gz DGESIXOCSAUCJC-QWRGUYRKSA-N 0 0 312.410 3.005 20 10 DGCDRN Cc1noc(C)c1[C@H](C)CC(=O)NCc1cccc(Cl)c1O ZINC000890759618 617656336 /nfs/dbraw/zinc/65/63/36/617656336.db2.gz FHQSGTCOLWXQKW-SECBINFHSA-N 0 0 322.792 3.460 20 10 DGCDRN CC(C)(C)c1cc(C(=O)NCc2cccc(Cl)c2O)no1 ZINC000890760126 617656379 /nfs/dbraw/zinc/65/63/79/617656379.db2.gz IYYUPHPDJUJKPZ-UHFFFAOYSA-N 0 0 308.765 3.261 20 10 DGCDRN O=C(CCCc1cccnc1)NCc1cccc(Cl)c1O ZINC000890761023 617657080 /nfs/dbraw/zinc/65/70/80/617657080.db2.gz IQAPRGQJKNTMRR-UHFFFAOYSA-N 0 0 304.777 3.080 20 10 DGCDRN CCCn1nc(C)c(C(=O)NCc2cccc(Cl)c2O)c1C ZINC000890760752 617657097 /nfs/dbraw/zinc/65/70/97/617657097.db2.gz YNBFAABOAMBITJ-UHFFFAOYSA-N 0 0 321.808 3.199 20 10 DGCDRN Cc1nc(C2CC2)oc1C(=O)NCc1cccc(Cl)c1O ZINC000890759981 617657314 /nfs/dbraw/zinc/65/73/14/617657314.db2.gz XUMQYHKNAGEOQY-UHFFFAOYSA-N 0 0 306.749 3.149 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1coc2c1C(=O)CCC2 ZINC000890761751 617657820 /nfs/dbraw/zinc/65/78/20/617657820.db2.gz WLNKTIZPSPAENB-UHFFFAOYSA-N 0 0 319.744 3.088 20 10 DGCDRN CCn1cc(C(=O)NCc2cccc(Cl)c2O)c(C2CC2)n1 ZINC000890763169 617658411 /nfs/dbraw/zinc/65/84/11/617658411.db2.gz PRJCWGNRPYBATN-UHFFFAOYSA-N 0 0 319.792 3.069 20 10 DGCDRN C=C/C(C)=C/CC(=O)NCc1cc(Br)ccc1O ZINC000804733320 617661567 /nfs/dbraw/zinc/66/15/67/617661567.db2.gz OJOHWVCEMWGOOY-ONNFQVAWSA-N 0 0 310.191 3.293 20 10 DGCDRN Cc1cc(C(=O)NCc2cc(Br)ccc2O)c(C)[nH]1 ZINC000804738939 617662612 /nfs/dbraw/zinc/66/26/12/617662612.db2.gz KCPQHTURXAVSFF-UHFFFAOYSA-N 0 0 323.190 3.030 20 10 DGCDRN CN(C[C@@H]1CC1(C)C)C(=O)NCCCSc1nccs1 ZINC000853858102 620746819 /nfs/dbraw/zinc/74/68/19/620746819.db2.gz KUUOFLGEMAXWPS-NSHDSACASA-N 0 0 313.492 3.313 20 10 DGCDRN CSC1(CNC(=O)N2Cc3cccc(O)c3C2)CCCCC1 ZINC000891059149 617723966 /nfs/dbraw/zinc/72/39/66/617723966.db2.gz NODXAOCASHJJBZ-UHFFFAOYSA-N 0 0 320.458 3.483 20 10 DGCDRN CCOCc1nc(C)cc(N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000891566383 617837363 /nfs/dbraw/zinc/83/73/63/617837363.db2.gz NNIVPGRFNBBGPK-UHFFFAOYSA-N 0 0 314.433 3.024 20 10 DGCDRN OC1CCN(c2ccc(CNc3ncccc3Cl)cc2)CC1 ZINC000853955062 620756724 /nfs/dbraw/zinc/75/67/24/620756724.db2.gz CFKWFAGWSPZNQI-UHFFFAOYSA-N 0 0 317.820 3.308 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N(Cc2ccoc2)C2CC2)cc1 ZINC000891606138 617850868 /nfs/dbraw/zinc/85/08/68/617850868.db2.gz FFHUODOTMSEETN-UHFFFAOYSA-N 0 0 313.401 3.220 20 10 DGCDRN C[C@H](O)c1cccc(N(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000891919462 617925644 /nfs/dbraw/zinc/92/56/44/617925644.db2.gz XKTMBAPALXIYMG-AWEZNQCLSA-N 0 0 311.429 3.370 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000892004337 617943118 /nfs/dbraw/zinc/94/31/18/617943118.db2.gz HTUXEPJANKFWRL-BPQIPLTHSA-N 0 0 313.445 3.275 20 10 DGCDRN Cc1cncc([C@@H]2CCCN2C(=O)NCCc2ccc(N)cc2)c1 ZINC000892038442 617948954 /nfs/dbraw/zinc/94/89/54/617948954.db2.gz FJAKKBUAQSZFOJ-SFHVURJKSA-N 0 0 324.428 3.061 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C[C@H](C)SC)cc1F ZINC000119693817 617968026 /nfs/dbraw/zinc/96/80/26/617968026.db2.gz FXYUDGDJGLVFOB-LBPRGKRZSA-N 0 0 312.454 3.430 20 10 DGCDRN CCOCc1nc(C)cc(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000892131317 617970834 /nfs/dbraw/zinc/97/08/34/617970834.db2.gz GRRBOBCFGIMOTA-UHFFFAOYSA-N 0 0 318.396 3.139 20 10 DGCDRN COc1ccc(N2CCC(Nc3nccnc3Cl)CC2)cc1 ZINC000892268630 618003973 /nfs/dbraw/zinc/00/39/73/618003973.db2.gz DWWXJAREJIWHKS-UHFFFAOYSA-N 0 0 318.808 3.220 20 10 DGCDRN CCC1(CNC(=O)NCc2cc(OC)ccc2O)CCCC1 ZINC000135586779 618011070 /nfs/dbraw/zinc/01/10/70/618011070.db2.gz DTMCFNNJTOSBJT-UHFFFAOYSA-N 0 0 306.406 3.170 20 10 DGCDRN CCOc1ccc(O)c(C[NH2+]C[C@H](CC(=O)[O-])CC(C)C)c1 ZINC000854243793 620787489 /nfs/dbraw/zinc/78/74/89/620787489.db2.gz BIFZGFYWOZCHKX-ZDUSSCGKSA-N 0 0 309.406 3.018 20 10 DGCDRN CN(C)c1ccc(/C=C\C[NH+]2CCC(CCC(=O)[O-])CC2)cc1 ZINC000854240966 620787179 /nfs/dbraw/zinc/78/71/79/620787179.db2.gz GEWPGVGISCSLNM-ARJAWSKDSA-N 0 0 316.445 3.343 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cccc(N3CCCC3)c2)cc1 ZINC000854271612 620790651 /nfs/dbraw/zinc/79/06/51/620790651.db2.gz NFJXGHYJANUKJN-UHFFFAOYSA-N 0 0 323.440 3.283 20 10 DGCDRN C[C@H]1Cc2cc(C(=O)NCc3ccc(N(C)C)cc3)ccc2O1 ZINC000854271960 620790842 /nfs/dbraw/zinc/79/08/42/620790842.db2.gz XBSNJTISZVWNHS-ZDUSSCGKSA-N 0 0 310.397 3.006 20 10 DGCDRN CO[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCCCC1 ZINC000854325016 620795696 /nfs/dbraw/zinc/79/56/96/620795696.db2.gz VFBAKWABECZTMU-SFHVURJKSA-N 0 0 318.461 3.306 20 10 DGCDRN COc1cc(C)cc(CN[C@H](C)c2nc(C(C)(C)C)no2)c1O ZINC000894541327 618376250 /nfs/dbraw/zinc/37/62/50/618376250.db2.gz BUQUVTFBEVVWCH-LLVKDONJSA-N 0 0 319.405 3.241 20 10 DGCDRN CCOCc1nc(Cl)cc(N(C)Cc2ccccc2O)n1 ZINC000893018083 618393684 /nfs/dbraw/zinc/39/36/84/618393684.db2.gz DKVOQQQSEAKOOD-UHFFFAOYSA-N 0 0 307.781 3.009 20 10 DGCDRN COc1cc(C)cc(CNc2cccc(N3CCC3=O)c2)c1O ZINC000894595917 618399751 /nfs/dbraw/zinc/39/97/51/618399751.db2.gz LQMUQSHLISUPKP-UHFFFAOYSA-N 0 0 312.369 3.058 20 10 DGCDRN Cc1n[nH]cc1C1CC[NH+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894689810 618424571 /nfs/dbraw/zinc/42/45/71/618424571.db2.gz JNUNAQLGXGOMFA-UHFFFAOYSA-N 0 0 307.344 3.082 20 10 DGCDRN Cc1cc(CCNC(=O)COC(C)C)c(C)n1-c1ccccc1 ZINC000920473037 620805119 /nfs/dbraw/zinc/80/51/19/620805119.db2.gz IYAUQJAQGDHMME-UHFFFAOYSA-N 0 0 314.429 3.178 20 10 DGCDRN COc1cc(C)cc(C[NH2+]C(C)(C)c2c(C)noc2C)c1O ZINC000894756943 618447666 /nfs/dbraw/zinc/44/76/66/618447666.db2.gz NXYFRLDBOADYMR-UHFFFAOYSA-N 0 0 304.390 3.339 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000894793795 618462361 /nfs/dbraw/zinc/46/23/61/618462361.db2.gz IWQQSMGBEFODSE-GDBMZVCRSA-N 0 0 309.356 3.204 20 10 DGCDRN CCCCn1ncc(NCc2ccc(OC)c(OC)c2O)c1C ZINC000893295606 618500704 /nfs/dbraw/zinc/50/07/04/618500704.db2.gz PXQKPIODJDDVEJ-UHFFFAOYSA-N 0 0 319.405 3.327 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](CCO)COC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775510298 618501847 /nfs/dbraw/zinc/50/18/47/618501847.db2.gz ZWPJNKAMTVIWJL-JOYOIKCWSA-N 0 0 322.232 3.137 20 10 DGCDRN Cc1ccc(CC[C@H](C)NC(=O)NCc2c(O)cccc2F)o1 ZINC000920625196 620811655 /nfs/dbraw/zinc/81/16/55/620811655.db2.gz KDXPIWPBEDXVAL-NSHDSACASA-N 0 0 320.364 3.253 20 10 DGCDRN COc1cc(N(C)Cc2cnc(F)cc2C)cc(OC)c1OC ZINC000893461880 618563451 /nfs/dbraw/zinc/56/34/51/618563451.db2.gz QIGVEOTVDGNEOB-UHFFFAOYSA-N 0 0 320.364 3.191 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)N(C)CCCF)ccc21 ZINC000895294028 618589391 /nfs/dbraw/zinc/58/93/91/618589391.db2.gz IZIUVHPKYUPNKJ-UHFFFAOYSA-N 0 0 320.408 3.336 20 10 DGCDRN COC[C@@H](NCc1ccc(N(C)C)cc1C)c1ccc(C)o1 ZINC000840935224 618609928 /nfs/dbraw/zinc/60/99/28/618609928.db2.gz IVVLXFSDELEABH-QGZVFWFLSA-N 0 0 302.418 3.440 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNCc1nnc(C(C)C)s1 ZINC000840938564 618610870 /nfs/dbraw/zinc/61/08/70/618610870.db2.gz OJZQRPOBPCOEBP-UHFFFAOYSA-N 0 0 304.463 3.326 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000840956729 618630641 /nfs/dbraw/zinc/63/06/41/618630641.db2.gz CSLURHRDQUVURS-ZBFHGGJFSA-N 0 0 321.779 3.493 20 10 DGCDRN CC[S@](C)(=O)=NC(=O)c1sccc1-n1c(C)ccc1C ZINC000925847477 618645421 /nfs/dbraw/zinc/64/54/21/618645421.db2.gz SQNFCKPTAGKYFV-FQEVSTJZSA-N 0 0 310.444 3.414 20 10 DGCDRN COc1cc(C)cc(CN2CCCC[C@H]2c2noc(C)n2)c1O ZINC000893968880 618685033 /nfs/dbraw/zinc/68/50/33/618685033.db2.gz NAEZECOZJHZNIK-AWEZNQCLSA-N 0 0 317.389 3.128 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000894096675 618709253 /nfs/dbraw/zinc/70/92/53/618709253.db2.gz WEBMHVWOZDPGJI-HIFRSBDPSA-N 0 0 323.339 3.352 20 10 DGCDRN COc1cc(C)cc(CNc2ccnn2[C@H](C)C2CC2)c1O ZINC000894219762 618732728 /nfs/dbraw/zinc/73/27/28/618732728.db2.gz GLJNNGHCZDEXNM-GFCCVEGCSA-N 0 0 301.390 3.489 20 10 DGCDRN C[C@H]1C[C@H](C)CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000895464939 618788197 /nfs/dbraw/zinc/78/81/97/618788197.db2.gz KVCQORIEYQZOMS-UWVGGRQHSA-N 0 0 305.399 3.431 20 10 DGCDRN Cc1csc([C@@H]2CC[N@H+](Cc3cc(F)cc(F)c3[O-])C2)n1 ZINC000895473039 618788923 /nfs/dbraw/zinc/78/89/23/618788923.db2.gz NFWXGRLEDFVBQJ-SNVBAGLBSA-N 0 0 310.369 3.425 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000895513291 618794062 /nfs/dbraw/zinc/79/40/62/618794062.db2.gz XPEAXADAJHYZTL-KDYLLFBJSA-N 0 0 303.789 3.185 20 10 DGCDRN COc1c([O-])c(C[NH2+]CC(C)(C)CC(F)F)ccc1[N+](=O)[O-] ZINC000895535818 618795988 /nfs/dbraw/zinc/79/59/88/618795988.db2.gz ZFIPGCNYJQRSLU-UHFFFAOYSA-N 0 0 318.320 3.080 20 10 DGCDRN CC1([NH+]2CCC2)CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000895671067 618816530 /nfs/dbraw/zinc/81/65/30/618816530.db2.gz MWJFMSFNIZLYBQ-UHFFFAOYSA-N 0 0 312.816 3.245 20 10 DGCDRN CC(C)(C)n1ncc2c1ncnc2NCc1c(O)cccc1F ZINC000895832413 618839113 /nfs/dbraw/zinc/83/91/13/618839113.db2.gz GNZPUJONSWYVAJ-UHFFFAOYSA-N 0 0 315.352 3.038 20 10 DGCDRN OC1CCN(c2ccc(CNc3cncc(Cl)c3)cc2)CC1 ZINC000895876402 618843689 /nfs/dbraw/zinc/84/36/89/618843689.db2.gz QIYBNEKZMLEURJ-UHFFFAOYSA-N 0 0 317.820 3.308 20 10 DGCDRN O=C1CCC[C@@H](c2cccc(NCc3cc(F)ccc3O)c2)N1 ZINC000895891358 618846537 /nfs/dbraw/zinc/84/65/37/618846537.db2.gz BZNUJYYBTDEFCD-INIZCTEOSA-N 0 0 314.360 3.485 20 10 DGCDRN COc1cccc(NCc2ccc(OC)c(OC)c2O)c1OC ZINC000896047196 618865484 /nfs/dbraw/zinc/86/54/84/618865484.db2.gz XBIQAYVWPHIGCD-UHFFFAOYSA-N 0 0 319.357 3.039 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000896451747 618912900 /nfs/dbraw/zinc/91/29/00/618912900.db2.gz HLSBXQUARUKZQP-RZDIXWSQSA-N 0 0 317.816 3.228 20 10 DGCDRN Cn1ccc([C@H]2CCC[N@H+](Cc3cccc(Cl)c3[O-])C2)n1 ZINC000896492546 618918391 /nfs/dbraw/zinc/91/83/91/618918391.db2.gz FCHJIHIZHLLZOI-LBPRGKRZSA-N 0 0 305.809 3.159 20 10 DGCDRN Cc1cc(O)c(CN[C@H](c2ncccn2)C2CC2)cc1Cl ZINC000896596899 618932857 /nfs/dbraw/zinc/93/28/57/618932857.db2.gz LFRVAKTUHXNHFA-HNNXBMFYSA-N 0 0 303.793 3.385 20 10 DGCDRN C[C@@H]([NH2+]Cc1c([O-])cccc1F)[C@@H]1COc2ccccc2C1 ZINC000896642928 618937922 /nfs/dbraw/zinc/93/79/22/618937922.db2.gz SJRRAFITFAELRT-OCCSQVGLSA-N 0 0 301.361 3.261 20 10 DGCDRN COc1cc2c(c(C[NH2+]Cc3c([O-])cccc3F)c1)O[C@H](C)C2 ZINC000896642459 618937929 /nfs/dbraw/zinc/93/79/29/618937929.db2.gz WYWYDDMPERCSOZ-LLVKDONJSA-N 0 0 317.360 3.153 20 10 DGCDRN CCN(CC)c1ncc(C[NH2+]Cc2c([O-])cccc2F)s1 ZINC000896639769 618939890 /nfs/dbraw/zinc/93/98/90/618939890.db2.gz GLWWNEKHEXMKAB-UHFFFAOYSA-N 0 0 309.410 3.124 20 10 DGCDRN [O-]c1cccc(F)c1C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000896641836 618940370 /nfs/dbraw/zinc/94/03/70/618940370.db2.gz SYDSNAWOXKRHOS-UHFFFAOYSA-N 0 0 323.751 3.246 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)NC[C@@H]1C[C@H]1C(F)(F)F ZINC000896671901 618942560 /nfs/dbraw/zinc/94/25/60/618942560.db2.gz APHCBIAWWRRHBW-DTWKUNHWSA-N 0 0 322.714 3.043 20 10 DGCDRN CC1(C)[C@@H]2CN(C(=O)c3cc4cc(O)c(O)cc4s3)C[C@@H]21 ZINC000896683103 618944029 /nfs/dbraw/zinc/94/40/29/618944029.db2.gz GDBYOIRCRYPFNN-AOOOYVTPSA-N 0 0 303.383 3.041 20 10 DGCDRN COc1nc(Br)ccc1NCc1ccccc1O ZINC000788973059 625305256 /nfs/dbraw/zinc/30/52/56/625305256.db2.gz MNWRAXGOXFXQDB-UHFFFAOYSA-N 0 0 309.163 3.170 20 10 DGCDRN CC1(C)CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCS1 ZINC000896883621 618975087 /nfs/dbraw/zinc/97/50/87/618975087.db2.gz FZHHYVAXXSZGPF-UHFFFAOYSA-N 0 0 323.439 3.280 20 10 DGCDRN CC(C)[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896943170 618990961 /nfs/dbraw/zinc/99/09/61/618990961.db2.gz DCPTZWYXXHMYGU-SNVBAGLBSA-N 0 0 305.399 3.431 20 10 DGCDRN COCc1cccc(-c2cn(Cc3ccc(N(C)C)cc3)nn2)c1 ZINC000881270878 625309869 /nfs/dbraw/zinc/30/98/69/625309869.db2.gz DACFZRXPPFOYHJ-UHFFFAOYSA-N 0 0 322.412 3.206 20 10 DGCDRN COc1cc(O)c(CNc2ccc3c(c2)C[C@@H](C)O3)cc1OC ZINC000897114657 619019737 /nfs/dbraw/zinc/01/97/37/619019737.db2.gz QXEZREHJKMBTMS-LLVKDONJSA-N 0 0 315.369 3.345 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C(F)F ZINC000881276925 625310849 /nfs/dbraw/zinc/31/08/49/625310849.db2.gz BRJKMXYSEPRYJO-NSHDSACASA-N 0 0 300.349 3.358 20 10 DGCDRN COc1ccc(C[NH2+]Cc2ccc(F)c(F)c2[O-])c(C)c1OC ZINC000897244681 619035896 /nfs/dbraw/zinc/03/58/96/619035896.db2.gz LGGTYMNXYIQPEF-UHFFFAOYSA-N 0 0 323.339 3.286 20 10 DGCDRN Oc1ccc(Cl)cc1CNc1ccc(Cn2cncn2)cc1 ZINC000121293327 619037247 /nfs/dbraw/zinc/03/72/47/619037247.db2.gz OQRMNPPZHPMSMU-UHFFFAOYSA-N 0 0 314.776 3.298 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000928708726 619059699 /nfs/dbraw/zinc/05/96/99/619059699.db2.gz RQXOXUYFZCLQBN-RKDXNWHRSA-N 0 0 305.271 3.126 20 10 DGCDRN CSc1ccc(NC(=O)N(C)Cc2ccccc2O)nc1 ZINC000752822443 619109140 /nfs/dbraw/zinc/10/91/40/619109140.db2.gz NFTDGQOAOQHAEB-UHFFFAOYSA-N 0 0 303.387 3.173 20 10 DGCDRN CN(C)c1ccc(C[NH2+][C@H](CCC(C)(C)C)C(=O)[O-])cc1F ZINC000840998615 619110871 /nfs/dbraw/zinc/11/08/71/619110871.db2.gz KOGIQCQRBLXRNJ-CQSZACIVSA-N 0 0 310.413 3.261 20 10 DGCDRN CCOC[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(C)C ZINC000897534021 619150347 /nfs/dbraw/zinc/15/03/47/619150347.db2.gz IEZJKLYUOVMMMJ-LLVKDONJSA-N 0 0 323.414 3.103 20 10 DGCDRN CC(C)SCCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897756140 619176717 /nfs/dbraw/zinc/17/67/17/619176717.db2.gz DRBPWPRLORAOKP-UHFFFAOYSA-N 0 0 311.428 3.184 20 10 DGCDRN O=C(NC[C@@H]1CCCSC1)c1cc2cc(O)c(O)cc2s1 ZINC000897771818 619178826 /nfs/dbraw/zinc/17/88/26/619178826.db2.gz YMMAICZNEWAQHL-VIFPVBQESA-N 0 0 323.439 3.186 20 10 DGCDRN C[C@H](Cc1cccnc1)[NH2+]Cc1cccc(Br)c1[O-] ZINC000897969442 619200625 /nfs/dbraw/zinc/20/06/25/619200625.db2.gz JQUCICIDVUZRJF-LLVKDONJSA-N 0 0 321.218 3.271 20 10 DGCDRN CCCn1cc(-c2cn(Cc3ccc(N(C)CC)cc3)nn2)cn1 ZINC000881317089 625327785 /nfs/dbraw/zinc/32/77/85/625327785.db2.gz ZWSHXJPDOZOESB-UHFFFAOYSA-N 0 0 324.432 3.056 20 10 DGCDRN COc1cc(C[C@H](C)[NH2+]Cc2cccc(Cl)c2[O-])ccn1 ZINC000898218411 619222386 /nfs/dbraw/zinc/22/23/86/619222386.db2.gz GONUCAZLHUIUPQ-NSHDSACASA-N 0 0 306.793 3.170 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCc2cccnc2CC1 ZINC000898215586 619222561 /nfs/dbraw/zinc/22/25/61/619222561.db2.gz OFOAHAKJRNMTOX-AWEZNQCLSA-N 0 0 302.805 3.478 20 10 DGCDRN C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cncs1 ZINC000898225734 619229330 /nfs/dbraw/zinc/22/93/30/619229330.db2.gz ITUBURMPJUSPHX-GFCCVEGCSA-N 0 0 318.446 3.112 20 10 DGCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1C[C@@H]2CCCC[C@@H]21 ZINC000898442931 619276365 /nfs/dbraw/zinc/27/63/65/619276365.db2.gz ZWBKDECGNWGTSJ-ONGXEEELSA-N 0 0 303.383 3.327 20 10 DGCDRN O=C(NCC[C@@H]1CCC(F)(F)C1)N1Cc2cccc(O)c2C1 ZINC000898489863 619279747 /nfs/dbraw/zinc/27/97/47/619279747.db2.gz NUBKXYOTEPDOIJ-NSHDSACASA-N 0 0 310.344 3.243 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H](c2ccncc2)C2CC2)c1 ZINC000899000624 619305908 /nfs/dbraw/zinc/30/59/08/619305908.db2.gz TWQCJXSTRZYLOP-KRWDZBQOSA-N 0 0 311.385 3.046 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)NC/C=C/Cl)cc1 ZINC000899054749 619308808 /nfs/dbraw/zinc/30/88/08/619308808.db2.gz DUPKKUKVZMMFDK-IZZDOVSWSA-N 0 0 309.841 3.427 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)NC/C=C\Cl)C2CC2)cc1 ZINC000899055696 619309043 /nfs/dbraw/zinc/30/90/43/619309043.db2.gz PTJIHGQGBMVIKB-KMKOMSMNSA-N 0 0 307.825 3.179 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC/C=C\Cl ZINC000899050408 619310037 /nfs/dbraw/zinc/31/00/37/619310037.db2.gz BZSBEUAZLLMIFO-YHYXMXQVSA-N 0 0 309.841 3.425 20 10 DGCDRN C[C@@H](NC(=O)C[C@@H]1CCC2(CCC2)CO1)c1ccccc1O ZINC000899182118 619316273 /nfs/dbraw/zinc/31/62/73/619316273.db2.gz SARLQUCQQLYGMG-KGLIPLIRSA-N 0 0 303.402 3.309 20 10 DGCDRN Cc1cc(F)ncc1/C=C1\SC(=S)N(C2CCC2)C1=O ZINC000899260378 619323563 /nfs/dbraw/zinc/32/35/63/619323563.db2.gz DYOVNHHIXMQQBB-WDZFZDKYSA-N 0 0 308.403 3.283 20 10 DGCDRN CCN1C(=O)/C(=C\c2ccc3c(c2)CCCO3)SC1=S ZINC000899332858 619327231 /nfs/dbraw/zinc/32/72/31/619327231.db2.gz KFVFRAUWUVRKHV-UKTHLTGXSA-N 0 0 305.424 3.233 20 10 DGCDRN COc1ccc(NC(=S)NCc2ncc(C)cc2C)cc1F ZINC000899561902 619354706 /nfs/dbraw/zinc/35/47/06/619354706.db2.gz ZFBHZJUPISDQEF-UHFFFAOYSA-N 0 0 319.405 3.333 20 10 DGCDRN CC(C)(C)SCCCn1cc(COc2ccc(N)cc2)nn1 ZINC000881331368 625335064 /nfs/dbraw/zinc/33/50/64/625335064.db2.gz FCPCESMUMDXVOY-UHFFFAOYSA-N 0 0 320.462 3.361 20 10 DGCDRN O=C(CC(F)(F)C(F)F)NCc1ccc(N2CCCC2)cc1 ZINC000900187367 619410334 /nfs/dbraw/zinc/41/03/34/619410334.db2.gz GHYCMVWNSKURBY-UHFFFAOYSA-N 0 0 318.314 3.194 20 10 DGCDRN Cc1ccc(CCCn2cc(COc3ccc(N)cc3)nn2)cc1 ZINC000881346551 625344194 /nfs/dbraw/zinc/34/41/94/625344194.db2.gz VKQVNJQZULWPBW-UHFFFAOYSA-N 0 0 322.412 3.381 20 10 DGCDRN CCCc1ccccc1S(=O)(=O)Nc1ccc(O)c(OC)c1 ZINC000901662977 619530794 /nfs/dbraw/zinc/53/07/94/619530794.db2.gz HWMVRBSCWMBTCE-UHFFFAOYSA-N 0 0 321.398 3.154 20 10 DGCDRN CCn1cccc(NCc2ccc(N3CCCCC3)cc2)c1=O ZINC000902121430 619592670 /nfs/dbraw/zinc/59/26/70/619592670.db2.gz GXPHBEBIPWBFOZ-UHFFFAOYSA-N 0 0 311.429 3.471 20 10 DGCDRN CN(C)c1ccc(OC[C@H]2CCCN(C(=O)C(C)(C)C)C2)cc1 ZINC000902358381 619626693 /nfs/dbraw/zinc/62/66/93/619626693.db2.gz IJBKXIMNTVBOJY-HNNXBMFYSA-N 0 0 318.461 3.416 20 10 DGCDRN CC[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1N)c1ccc(F)cc1[O-] ZINC000902433317 619635342 /nfs/dbraw/zinc/63/53/42/619635342.db2.gz JGXNXFRGSTYCEN-JFIYKMOQSA-N 0 0 300.377 3.197 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1)c1ccc(F)cc1[O-] ZINC000903179565 619730925 /nfs/dbraw/zinc/73/09/25/619730925.db2.gz QRKWEUKMYXKFHD-FWDPORAESA-N 0 0 307.287 3.292 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCN(C)[C@H]1C)c1cccc(C(F)(F)F)c1[O-] ZINC000903301267 619753940 /nfs/dbraw/zinc/75/39/40/619753940.db2.gz PETLODFUGRKBOU-KWBADKCTSA-N 0 0 302.340 3.154 20 10 DGCDRN Cc1ccc([C@@H](C)NCc2ncc(Br)cn2)c(O)c1 ZINC000903320307 619755444 /nfs/dbraw/zinc/75/54/44/619755444.db2.gz FAQWJIUYWFHCRW-SNVBAGLBSA-N 0 0 322.206 3.104 20 10 DGCDRN Cc1ccc(O)c([C@H](C)NCc2ncc(Br)cn2)c1 ZINC000903320847 619755460 /nfs/dbraw/zinc/75/54/60/619755460.db2.gz RZFFPLKMJBHYND-JTQLQIEISA-N 0 0 322.206 3.104 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@]1(OC(C)C)CCOC1)c1ccc(F)cc1[O-] ZINC000903357221 619764716 /nfs/dbraw/zinc/76/47/16/619764716.db2.gz LAYQGZCJHPZDLD-WBVHZDCISA-N 0 0 311.397 3.156 20 10 DGCDRN CC[C@H]([NH2+][C@H]1CCCN(CC)C1=O)c1cccc(Cl)c1[O-] ZINC000903388223 619770147 /nfs/dbraw/zinc/77/01/47/619770147.db2.gz LYQLPJZYPUJOLT-KBPBESRZSA-N 0 0 310.825 3.097 20 10 DGCDRN CCCCOc1ccccc1NC[C@@H](O)CCC1(O)CCC1 ZINC000905312237 619985914 /nfs/dbraw/zinc/98/59/14/619985914.db2.gz CZSSOZJYTFTEIC-HNNXBMFYSA-N 0 0 307.434 3.334 20 10 DGCDRN Cc1cc(-c2nc(C3(N)CC3)no2)c(C)n1-c1ccc(F)cc1 ZINC000905314443 619986354 /nfs/dbraw/zinc/98/63/54/619986354.db2.gz JJDKHLOXTRMTJN-UHFFFAOYSA-N 0 0 312.348 3.231 20 10 DGCDRN C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[C@@H]1CCCO1 ZINC000905960525 620047730 /nfs/dbraw/zinc/04/77/30/620047730.db2.gz YWDQCKIZQFPJNO-KSSFIOAISA-N 0 0 316.445 3.059 20 10 DGCDRN CN(Cc1ccccc1O)C(=S)NCCc1ccc(F)cc1 ZINC000789194915 625394427 /nfs/dbraw/zinc/39/44/27/625394427.db2.gz SWKHVLDGHJCTGO-UHFFFAOYSA-N 0 0 318.417 3.080 20 10 DGCDRN CC1(C2(NC(=O)c3cc4cc(O)c(O)cc4s3)CC2)CC1 ZINC000909275797 620250177 /nfs/dbraw/zinc/25/01/77/620250177.db2.gz CGJAKBXAUBSIGG-UHFFFAOYSA-N 0 0 303.383 3.375 20 10 DGCDRN CC(C)Cc1ccc(CC(=O)NCc2ccc(O)cc2O)cc1 ZINC000910957860 620318875 /nfs/dbraw/zinc/31/88/75/620318875.db2.gz OENDJNHBQTZALQ-UHFFFAOYSA-N 0 0 313.397 3.155 20 10 DGCDRN CC(C)(CC(=O)NCc1ccc(O)cc1O)c1ccc(F)cc1 ZINC000910957087 620318927 /nfs/dbraw/zinc/31/89/27/620318927.db2.gz PLQSPQDLVSPXMY-UHFFFAOYSA-N 0 0 317.360 3.221 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000910954965 620318996 /nfs/dbraw/zinc/31/89/96/620318996.db2.gz BNUJUJVBPPHHAU-HZPDHXFCSA-N 0 0 315.344 3.047 20 10 DGCDRN O=C(CC(C1CCC1)C1CCC1)NCc1ccc(O)cc1O ZINC000910942632 620319472 /nfs/dbraw/zinc/31/94/72/620319472.db2.gz GSUIYNBJRVFIGU-UHFFFAOYSA-N 0 0 303.402 3.321 20 10 DGCDRN Nc1ccc(NC(=O)C[C@H]2CCC[C@H](C(F)(F)F)O2)cc1 ZINC000911659849 620339460 /nfs/dbraw/zinc/33/94/60/620339460.db2.gz FQHBLCHJZGJCCJ-VXGBXAGGSA-N 0 0 302.296 3.097 20 10 DGCDRN CCOc1ccc(N(C)Cc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000150730546 620387789 /nfs/dbraw/zinc/38/77/89/620387789.db2.gz FKSKYZOEYJSRBY-UHFFFAOYSA-N 0 0 323.396 3.038 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)N[C@@H](C)c2cccs2)cc1 ZINC000150733037 620388158 /nfs/dbraw/zinc/38/81/58/620388158.db2.gz XTWHNFRCDWIDTN-ZDUSSCGKSA-N 0 0 318.442 3.460 20 10 DGCDRN COC(=O)CCCN(Cc1ccco1)c1ccc(OC)c(F)c1 ZINC000150864644 620401113 /nfs/dbraw/zinc/40/11/13/620401113.db2.gz RWLUGLQCVRZHBU-UHFFFAOYSA-N 0 0 321.348 3.387 20 10 DGCDRN CSCCNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000913403649 620441201 /nfs/dbraw/zinc/44/12/01/620441201.db2.gz XGZGETXSKPZJJX-UHFFFAOYSA-N 0 0 302.443 3.495 20 10 DGCDRN C[C@@H](NC(=O)c1ccnc(NC2CCC2)c1)c1ccccc1O ZINC000913763854 620478006 /nfs/dbraw/zinc/47/80/06/620478006.db2.gz TUYXKJWGNDYYEL-GFCCVEGCSA-N 0 0 311.385 3.243 20 10 DGCDRN COc1cccc(N(CC(C)C)C(=O)/C=C/c2cnn(C)c2)c1 ZINC000914525693 620540809 /nfs/dbraw/zinc/54/08/09/620540809.db2.gz CKCTVIVYTVBTCK-CMDGGOBGSA-N 0 0 313.401 3.131 20 10 DGCDRN CCCN(CCO)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000914535109 620541235 /nfs/dbraw/zinc/54/12/35/620541235.db2.gz GMDHNWYBJSZHOD-UHFFFAOYSA-N 0 0 318.392 3.078 20 10 DGCDRN Cc1cc(C(=O)NOCc2ccccc2)c(C)n1-c1ccccn1 ZINC000914847002 620557194 /nfs/dbraw/zinc/55/71/94/620557194.db2.gz HGYCFMVTHNILNU-UHFFFAOYSA-N 0 0 321.380 3.351 20 10 DGCDRN CC[C@H](SC)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000153461303 620566688 /nfs/dbraw/zinc/56/66/88/620566688.db2.gz RSSSCSWJIIRZNZ-HOCLYGCPSA-N 0 0 323.458 3.041 20 10 DGCDRN CC[C@@H](SC)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000153461599 620566711 /nfs/dbraw/zinc/56/67/11/620566711.db2.gz RSSSCSWJIIRZNZ-GDBMZVCRSA-N 0 0 323.458 3.041 20 10 DGCDRN FC(F)Oc1ccc2c(c1)CCCN2CCC1OCCCO1 ZINC000754638612 620571059 /nfs/dbraw/zinc/57/10/59/620571059.db2.gz CHXGPKZXXPWSLT-UHFFFAOYSA-N 0 0 313.344 3.194 20 10 DGCDRN C[C@]1(CCNC(=O)NCc2cc(Cl)ccc2O)CC1(F)F ZINC000852584084 620631741 /nfs/dbraw/zinc/63/17/41/620631741.db2.gz HQFNIYLPUZLBTL-ZDUSSCGKSA-N 0 0 318.751 3.280 20 10 DGCDRN C[C@@]1(CCNC(=O)NCc2cc(Cl)ccc2O)CC1(F)F ZINC000852584083 620631908 /nfs/dbraw/zinc/63/19/08/620631908.db2.gz HQFNIYLPUZLBTL-CYBMUJFWSA-N 0 0 318.751 3.280 20 10 DGCDRN CC[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)C1CC1 ZINC000852595714 620632893 /nfs/dbraw/zinc/63/28/93/620632893.db2.gz UHUSQPAKTSNMIJ-MRXNPFEDSA-N 0 0 302.418 3.259 20 10 DGCDRN Cc1cc(C(=O)N2CCC23COC3)c(C)n1-c1ccccc1C ZINC000854837797 620845751 /nfs/dbraw/zinc/84/57/51/620845751.db2.gz SGRUNBKVAHYXRT-UHFFFAOYSA-N 0 0 310.397 3.017 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC2CSC2)cc1 ZINC000854873924 620847896 /nfs/dbraw/zinc/84/78/96/620847896.db2.gz NFRCIUJDTRHXJJ-UHFFFAOYSA-N 0 0 300.427 3.187 20 10 DGCDRN Cc1ccc(N(CC(C)C)C(=O)c2ccnc3c2CC(=O)N3)cc1 ZINC000854884147 620848689 /nfs/dbraw/zinc/84/86/89/620848689.db2.gz UJIRQFRVYNXQFA-UHFFFAOYSA-N 0 0 323.396 3.187 20 10 DGCDRN Cc1ccoc1CC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000854948258 620856622 /nfs/dbraw/zinc/85/66/22/620856622.db2.gz MTTMMUGIGUGPCC-OAHLLOKOSA-N 0 0 314.429 3.252 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNC(=O)[C@H]3CCC3(C)C)C2)cc1 ZINC000854980750 620859578 /nfs/dbraw/zinc/85/95/78/620859578.db2.gz GLUCSWDBFSUIRS-WMLDXEAASA-N 0 0 316.445 3.074 20 10 DGCDRN Cc1cc(CC(=O)N(C)Cc2c[nH]cn2)c(C)n1-c1ccccc1 ZINC000855135789 620873260 /nfs/dbraw/zinc/87/32/60/620873260.db2.gz WNUSTZUFGNMQEW-UHFFFAOYSA-N 0 0 322.412 3.018 20 10 DGCDRN COC[C@H]1CCCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000768539912 620880667 /nfs/dbraw/zinc/88/06/67/620880667.db2.gz DVHIHPVNNVVPSJ-NSHDSACASA-N 0 0 301.789 3.433 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCC3(C)C)C2)cc1 ZINC000855223614 620881871 /nfs/dbraw/zinc/88/18/71/620881871.db2.gz BKVXYFIYBNXOAA-YOEHRIQHSA-N 0 0 316.445 3.216 20 10 DGCDRN CC[C@@H]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855224313 620881904 /nfs/dbraw/zinc/88/19/04/620881904.db2.gz FGXXPOGZQCDWGM-RVKKMQEKSA-N 0 0 316.445 3.216 20 10 DGCDRN C/C=C(/C=C\C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)CC ZINC000855233842 620882243 /nfs/dbraw/zinc/88/22/43/620882243.db2.gz NYLYEJYFNDCIGC-BUQOVARCSA-N 0 0 314.429 3.303 20 10 DGCDRN CCc1ccccc1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855233516 620882382 /nfs/dbraw/zinc/88/23/82/620882382.db2.gz IBHYBUSTCHOZBH-INIZCTEOSA-N 0 0 324.424 3.266 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)c3c(C)cccc3C)C2)cc1 ZINC000855232994 620882412 /nfs/dbraw/zinc/88/24/12/620882412.db2.gz DGKMIFAWFYYKPB-INIZCTEOSA-N 0 0 324.424 3.321 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)CC3CCCCC3)C2)cc1 ZINC000855229196 620882476 /nfs/dbraw/zinc/88/24/76/620882476.db2.gz LAOFVLTWVWOXHT-INIZCTEOSA-N 0 0 316.445 3.361 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)CCC(C)(C)C)C2)cc1 ZINC000855231356 620882493 /nfs/dbraw/zinc/88/24/93/620882493.db2.gz LDRZPQFDTHWDCM-AWEZNQCLSA-N 0 0 304.434 3.216 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)c3ccc(C)cc3C)C2)cc1 ZINC000855234738 620882981 /nfs/dbraw/zinc/88/29/81/620882981.db2.gz LJHBKUGGMYRYEK-INIZCTEOSA-N 0 0 324.424 3.321 20 10 DGCDRN CCc1ccc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000855234779 620883016 /nfs/dbraw/zinc/88/30/16/620883016.db2.gz MGMKSAKRXGYUJM-QGZVFWFLSA-N 0 0 324.424 3.266 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)/C=C/c3ccccc3)C2)cc1 ZINC000855234517 620883037 /nfs/dbraw/zinc/88/30/37/620883037.db2.gz CCZFNFWLWFAKAZ-SNQZOLJRSA-N 0 0 322.408 3.104 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)C1(CO)CC1 ZINC000855480201 620906707 /nfs/dbraw/zinc/90/67/07/620906707.db2.gz ZAZKJUATBDLGRN-ZDUSSCGKSA-N 0 0 318.442 3.046 20 10 DGCDRN COc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c(OC)c1 ZINC000921559695 620909495 /nfs/dbraw/zinc/90/94/95/620909495.db2.gz UEPPCMGRVPGCNR-UHFFFAOYSA-N 0 0 313.397 3.319 20 10 DGCDRN c1ccc(-c2nnc(CNCc3ccc4c(c3)CCCO4)[nH]2)cc1 ZINC000921738932 620942369 /nfs/dbraw/zinc/94/23/69/620942369.db2.gz ILLWGSBSAXGLFR-UHFFFAOYSA-N 0 0 320.396 3.087 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1ncc[nH]1 ZINC000114124568 620985228 /nfs/dbraw/zinc/98/52/28/620985228.db2.gz QVLIDSGVMMBKDT-UHFFFAOYSA-N 0 0 308.385 3.056 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)c1 ZINC000114543166 621009166 /nfs/dbraw/zinc/00/91/66/621009166.db2.gz BNCLCGOSMFDWKZ-GDBMZVCRSA-N 0 0 303.402 3.255 20 10 DGCDRN COc1ccc(O)c(CNC(=O)/C=C(/C)c2ccc(F)cc2)c1 ZINC000114540954 621009313 /nfs/dbraw/zinc/00/93/13/621009313.db2.gz BUPNQURIZSZLRB-XFXZXTDPSA-N 0 0 315.344 3.260 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Cc2c[nH]c3cccc(C)c23)c1 ZINC000114540841 621009382 /nfs/dbraw/zinc/00/93/82/621009382.db2.gz XSTBHPPMYCRNIJ-UHFFFAOYSA-N 0 0 324.380 3.049 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2cccc(SC)c2)c1 ZINC000114564713 621015504 /nfs/dbraw/zinc/01/55/04/621015504.db2.gz URBOCTWRKAONNQ-UHFFFAOYSA-N 0 0 318.398 3.444 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NCCCC2CCCC2)c1 ZINC000114588139 621016450 /nfs/dbraw/zinc/01/64/50/621016450.db2.gz SMPLVQPPNZZFBS-UHFFFAOYSA-N 0 0 306.406 3.170 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cn(C)nc1Cl ZINC000856790505 621021967 /nfs/dbraw/zinc/02/19/67/621021967.db2.gz BZLNJHYLVYFTLA-ZDUSSCGKSA-N 0 0 320.868 3.169 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@H](C(F)F)C1CCCCC1 ZINC000856888691 621031406 /nfs/dbraw/zinc/03/14/06/621031406.db2.gz UPBJPOGHHFRJCG-AWEZNQCLSA-N 0 0 312.360 3.405 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCC[C@@H]1CC1(F)F ZINC000856931711 621035505 /nfs/dbraw/zinc/03/55/05/621035505.db2.gz JHBFTBSDJDYUCD-CYBMUJFWSA-N 0 0 312.360 3.359 20 10 DGCDRN CC(C)(C)c1nc(COC(=O)/C=C\c2ccc(O)c(O)c2)co1 ZINC000922546145 621052686 /nfs/dbraw/zinc/05/26/86/621052686.db2.gz YTNCHNGQGYQOGY-ALCCZGGFSA-N 0 0 317.341 3.140 20 10 DGCDRN CN(C)c1ccc(CNc2ccc(F)nn2)c(C(F)(F)F)c1 ZINC000857225401 621071498 /nfs/dbraw/zinc/07/14/98/621071498.db2.gz POTIEEACAWSJAG-UHFFFAOYSA-N 0 0 314.286 3.313 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cc(F)c[nH]c1=O ZINC000857246151 621072865 /nfs/dbraw/zinc/07/28/65/621072865.db2.gz YAMDJJCVNAITCY-UHFFFAOYSA-N 0 0 318.348 3.074 20 10 DGCDRN Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CCCN1CC(F)(F)F ZINC000922708329 621087242 /nfs/dbraw/zinc/08/72/42/621087242.db2.gz JABPNFKYVMMSLJ-GFCCVEGCSA-N 0 0 322.758 3.162 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C1=Cc2ccccc2OC1 ZINC000115281912 621094461 /nfs/dbraw/zinc/09/44/61/621094461.db2.gz JXDKMTHQPUCRSZ-UHFFFAOYSA-N 0 0 322.408 3.153 20 10 DGCDRN CC[C@@H](OC1CCCC1)C(=O)NCc1ccc(N(C)C)cc1C ZINC000115280548 621094466 /nfs/dbraw/zinc/09/44/66/621094466.db2.gz PFUFIXFKJZBEQH-GOSISDBHSA-N 0 0 318.461 3.415 20 10 DGCDRN CCc1ccc(OCC(=O)NCc2cc(Cl)ccc2O)cc1 ZINC000857546894 621094872 /nfs/dbraw/zinc/09/48/72/621094872.db2.gz JOMOFJPGTVLHPC-UHFFFAOYSA-N 0 0 319.788 3.303 20 10 DGCDRN COc1cc(C)sc1C(=O)NCc1cc(Cl)ccc1O ZINC000857547882 621095558 /nfs/dbraw/zinc/09/55/58/621095558.db2.gz YMOSUSRVRFNFEI-UHFFFAOYSA-N 0 0 311.790 3.354 20 10 DGCDRN O=C(CCC1CC1)NCc1ccc(N2CCSCC2)cc1 ZINC000115337280 621099999 /nfs/dbraw/zinc/09/99/99/621099999.db2.gz YTTMZOCJVCFYEI-UHFFFAOYSA-N 0 0 304.459 3.046 20 10 DGCDRN Cc1csc(NC(=O)NCc2ccc(N(C)C)cc2C)n1 ZINC000115640367 621119818 /nfs/dbraw/zinc/11/98/18/621119818.db2.gz JIFRRVFLZGSJRX-UHFFFAOYSA-N 0 0 304.419 3.148 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCCc1ccccc1 ZINC000115640407 621120963 /nfs/dbraw/zinc/12/09/63/621120963.db2.gz ZDHFUXCUSYIBHA-UHFFFAOYSA-N 0 0 311.429 3.103 20 10 DGCDRN OC[C@@H]([NH2+]Cc1ccccc1O)c1ccccc1C(F)(F)F ZINC000922984535 621142473 /nfs/dbraw/zinc/14/24/73/621142473.db2.gz LZSZQGWUKUARNH-CQSZACIVSA-N 0 0 311.303 3.234 20 10 DGCDRN O=C(NCc1c(O)cccc1F)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000923023678 621148129 /nfs/dbraw/zinc/14/81/29/621148129.db2.gz CGYVDJGJYYMWEY-ZIAGYGMSSA-N 0 0 314.360 3.134 20 10 DGCDRN CN(C)c1cc(F)c(CNc2ccc3c(c2)OCO3)cc1F ZINC000858102011 621153337 /nfs/dbraw/zinc/15/33/37/621153337.db2.gz NRSOBIRWDBDZIP-UHFFFAOYSA-N 0 0 306.312 3.372 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCCc3occc32)c1 ZINC000858132451 621156295 /nfs/dbraw/zinc/15/62/95/621156295.db2.gz DPBBFAJMQQFBMX-CQSZACIVSA-N 0 0 300.358 3.170 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCCO[C@@H]2CCCC[C@H]2C)c1 ZINC000858153243 621159263 /nfs/dbraw/zinc/15/92/63/621159263.db2.gz JRUNLSSIPHLQGL-RHSMWYFYSA-N 0 0 320.433 3.095 20 10 DGCDRN CN(C)c1cc(F)c(CNc2cc(C3CC3)n(C)n2)cc1F ZINC000858165078 621160655 /nfs/dbraw/zinc/16/06/55/621160655.db2.gz AIKFUZLPVHJTNH-UHFFFAOYSA-N 0 0 306.360 3.254 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H](C)c2cnn(C(C)C)c2)c1 ZINC000858213938 621165467 /nfs/dbraw/zinc/16/54/67/621165467.db2.gz HDIYLBSXOHWDOB-CYBMUJFWSA-N 0 0 316.405 3.038 20 10 DGCDRN CCN(CC)c1ccc(CNc2cnn(CCF)c2)cc1F ZINC000858246333 621168448 /nfs/dbraw/zinc/16/84/48/621168448.db2.gz CYUSVYXRVWMQRD-UHFFFAOYSA-N 0 0 308.376 3.450 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCc2nc(C3CC3)cs2)c1 ZINC000858302875 621173242 /nfs/dbraw/zinc/17/32/42/621173242.db2.gz MIPBTKMZUGMLIM-UHFFFAOYSA-N 0 0 317.414 3.034 20 10 DGCDRN COc1cc(C)cc(CNC(=O)NCc2cc(C)ccc2O)c1 ZINC000858314041 621174685 /nfs/dbraw/zinc/17/46/85/621174685.db2.gz VYWUUZZTPGKWFW-UHFFFAOYSA-N 0 0 314.385 3.017 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCO[C@@H](CC(C)C)C2)c1 ZINC000858349695 621179282 /nfs/dbraw/zinc/17/92/82/621179282.db2.gz NJAPWAYAPRJBRK-CVEARBPZSA-N 0 0 320.433 3.094 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2CCCO[C@H]2CC(C)C)c1 ZINC000858373120 621182353 /nfs/dbraw/zinc/18/23/53/621182353.db2.gz YSVLIROVKIFPOJ-RDJZCZTQSA-N 0 0 320.433 3.094 20 10 DGCDRN Cc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])nc1C ZINC000840783581 621199001 /nfs/dbraw/zinc/19/90/01/621199001.db2.gz LJLRQZUZLBZWCF-GFCCVEGCSA-N 0 0 301.346 3.163 20 10 DGCDRN Cc1ccc(F)c(CCNC(=O)NCc2cc(C)ccc2O)c1 ZINC000858517321 621200932 /nfs/dbraw/zinc/20/09/32/621200932.db2.gz FRBFDQIWXOMJDD-UHFFFAOYSA-N 0 0 316.376 3.190 20 10 DGCDRN CC[C@@H]([NH2+][C@@H]1Cc2ccccc2NC1=O)c1ccc(N(C)C)cc1 ZINC000858526939 621201322 /nfs/dbraw/zinc/20/13/22/621201322.db2.gz BPYYMFLKUOGGQX-IEBWSBKVSA-N 0 0 323.440 3.357 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N(C)C2CC(C)(C)C2)cc1F ZINC000838029770 621203168 /nfs/dbraw/zinc/20/31/68/621203168.db2.gz QLKSFKHFGDHKBE-UHFFFAOYSA-N 0 0 307.413 3.222 20 10 DGCDRN CN(C(=O)NCc1ccc2c(c1)CCCN2C)C1CC(C)(C)C1 ZINC000838031526 621203421 /nfs/dbraw/zinc/20/34/21/621203421.db2.gz JFWLVDFZNVXBIK-UHFFFAOYSA-N 0 0 315.461 3.399 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)c2ccns2)c1 ZINC000858577053 621206230 /nfs/dbraw/zinc/20/62/30/621206230.db2.gz OIRPFNXGDPJSKS-VHSXEESVSA-N 0 0 306.387 3.047 20 10 DGCDRN CN(c1ccc(CNC(=O)c2cccnn2)cc1)C1CCCCC1 ZINC000858829861 621223803 /nfs/dbraw/zinc/22/38/03/621223803.db2.gz NVLBXWRKZIZNAO-UHFFFAOYSA-N 0 0 324.428 3.176 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@H](C)C2)c1 ZINC000859048992 621242742 /nfs/dbraw/zinc/24/27/42/621242742.db2.gz WEESQCDDEDWPNU-ZDUSSCGKSA-N 0 0 310.397 3.389 20 10 DGCDRN CCCOCCOC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000859192051 621258966 /nfs/dbraw/zinc/25/89/66/621258966.db2.gz HVCJQVPFFJIQEI-OAHLLOKOSA-N 0 0 322.449 3.145 20 10 DGCDRN CC[C@@H]1CCC[C@H]1CNC(=O)NCc1cccc(OC)c1O ZINC000838648311 621269148 /nfs/dbraw/zinc/26/91/48/621269148.db2.gz HFUXKVLRGXDRMV-OLZOCXBDSA-N 0 0 306.406 3.026 20 10 DGCDRN CC(C)([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)cc1 ZINC000103173218 621274035 /nfs/dbraw/zinc/27/40/35/621274035.db2.gz FZCKHYCMSPYHJG-UHFFFAOYSA-N 0 0 304.321 3.464 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000838777684 621279431 /nfs/dbraw/zinc/27/94/31/621279431.db2.gz UJIJGPMZNVOTMZ-KMFMINBZSA-N 0 0 314.429 3.259 20 10 DGCDRN Nc1ccc(CNC(=O)[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)cc1 ZINC000859593939 621296702 /nfs/dbraw/zinc/29/67/02/621296702.db2.gz LLRZNQKFFAXACH-IXDOHACOSA-N 0 0 312.800 3.124 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)CCO)c(C)n1-c1ccc(Cl)cc1 ZINC000121351293 621305959 /nfs/dbraw/zinc/30/59/59/621305959.db2.gz DWRSCERWOTYPPQ-LLVKDONJSA-N 0 0 320.820 3.248 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)CCO)c(C)n1-c1ccc(Cl)cc1 ZINC000121351105 621306167 /nfs/dbraw/zinc/30/61/67/621306167.db2.gz DWRSCERWOTYPPQ-NSHDSACASA-N 0 0 320.820 3.248 20 10 DGCDRN CCOc1cc(CN(C)c2ccc(OC)c(OC)c2)ccc1O ZINC000839011860 621315278 /nfs/dbraw/zinc/31/52/78/621315278.db2.gz QNRYOJGCQGSRIW-UHFFFAOYSA-N 0 0 317.385 3.445 20 10 DGCDRN COc1cccc(O)c1CN1CC(F)(c2ccccc2F)C1 ZINC000839144192 621341171 /nfs/dbraw/zinc/34/11/71/621341171.db2.gz SLAVLAFZXOQIKG-UHFFFAOYSA-N 0 0 305.324 3.221 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000839192661 621347610 /nfs/dbraw/zinc/34/76/10/621347610.db2.gz OTCKWBWDHRNLCU-GOEBONIOSA-N 0 0 309.837 3.419 20 10 DGCDRN Cc1ccccc1CO[C@@H](C)C(=O)N(C)Cc1ccccc1O ZINC000860048054 621358249 /nfs/dbraw/zinc/35/82/49/621358249.db2.gz PYIBGEFQEFBOCT-HNNXBMFYSA-N 0 0 313.397 3.264 20 10 DGCDRN Cn1cc(/C=C\C(=O)N2CCCc3c(F)ccc(Cl)c32)cn1 ZINC000839440883 621374262 /nfs/dbraw/zinc/37/42/62/621374262.db2.gz APYWQDYHZWLVQB-DAXSKMNVSA-N 0 0 319.767 3.205 20 10 DGCDRN Cc1nnc([C@H](C)N(C)Cc2ccc(N3CCCCC3)cc2)[nH]1 ZINC000839459529 621378835 /nfs/dbraw/zinc/37/88/35/621378835.db2.gz NGYMKMLQLVRQFB-AWEZNQCLSA-N 0 0 313.449 3.296 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Cc2cccc(C3CC3)c2)cc1 ZINC000839471303 621379296 /nfs/dbraw/zinc/37/92/96/621379296.db2.gz WEJSWXCJWSRKJV-UHFFFAOYSA-N 0 0 308.425 3.489 20 10 DGCDRN COc1ccc(O)c(CNC(=O)CCCCCCSC)c1 ZINC000860242221 621385799 /nfs/dbraw/zinc/38/57/99/621385799.db2.gz RJAJVOZQGNMRKF-UHFFFAOYSA-N 0 0 311.447 3.331 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2coc(C(F)F)c2)c1 ZINC000860242986 621385901 /nfs/dbraw/zinc/38/59/01/621385901.db2.gz XVRUSWJDRXFNAY-QMMMGPOBSA-N 0 0 311.284 3.422 20 10 DGCDRN CCC[C@@H](OCC)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000860243294 621385930 /nfs/dbraw/zinc/38/59/30/621385930.db2.gz JMYTVIFNFQKGCM-QGZVFWFLSA-N 0 0 305.418 3.092 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cccnc1C1CC1 ZINC000752600227 621401758 /nfs/dbraw/zinc/40/17/58/621401758.db2.gz MDEQRCPFFWKQKH-UHFFFAOYSA-N 0 0 322.408 3.473 20 10 DGCDRN Cc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)nc1 ZINC000753047528 621421937 /nfs/dbraw/zinc/42/19/37/621421937.db2.gz YXRVKYLYOQEURV-UHFFFAOYSA-N 0 0 309.413 3.261 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N(C)C[C@@H]2CC=CCC2)cc1F ZINC000753152986 621428451 /nfs/dbraw/zinc/42/84/51/621428451.db2.gz YSLDWMSRADSQAS-CQSZACIVSA-N 0 0 319.424 3.389 20 10 DGCDRN Cc1noc(C2CC2)c1NC(=O)NCc1cc(C)ccc1O ZINC000860930602 621460028 /nfs/dbraw/zinc/46/00/28/621460028.db2.gz ZRGXKUYASPASMN-UHFFFAOYSA-N 0 0 301.346 3.196 20 10 DGCDRN COc1ccc2c(c1)CCCN2CC1CCC2(CC1)OCCO2 ZINC000753698585 621460719 /nfs/dbraw/zinc/46/07/19/621460719.db2.gz ZWLZSXRKIGBNTN-UHFFFAOYSA-N 0 0 317.429 3.381 20 10 DGCDRN CCc1[nH]nc(Cl)c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000860950069 621461347 /nfs/dbraw/zinc/46/13/47/621461347.db2.gz HJPXZFPNTCPQFK-SNVBAGLBSA-N 0 0 320.824 3.183 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c2nccn2c1 ZINC000860951113 621461361 /nfs/dbraw/zinc/46/13/61/621461361.db2.gz YQNJILPJBWZDHI-AWEZNQCLSA-N 0 0 322.412 3.200 20 10 DGCDRN CC[C@H](C)[C@@H](NC(=O)NCc1cc(C)ccc1O)C(F)(F)F ZINC000861021520 621468546 /nfs/dbraw/zinc/46/85/46/621468546.db2.gz DJUKOKLAVVZGRK-GXFFZTMASA-N 0 0 318.339 3.477 20 10 DGCDRN O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)C1=CC(=O)CS1 ZINC000753849832 621468710 /nfs/dbraw/zinc/46/87/10/621468710.db2.gz GDMDGWSHTFEGSK-WFASDCNBSA-N 0 0 317.410 3.351 20 10 DGCDRN COc1ccc2c(c1)CCCN2C(=O)/C=C/c1ccc(C)nc1 ZINC000754061647 621484123 /nfs/dbraw/zinc/48/41/23/621484123.db2.gz MGWGQKFGSAZBIB-JXMROGBWSA-N 0 0 308.381 3.391 20 10 DGCDRN Cc1ccc(/C=C/C(=O)NCc2ccc(N(C)C)cc2C)cn1 ZINC000754271988 621500347 /nfs/dbraw/zinc/50/03/47/621500347.db2.gz WIHHHNREXINLLL-JXMROGBWSA-N 0 0 309.413 3.094 20 10 DGCDRN Cc1cc(C(=O)CN(C)c2cnn(C)c2)c(C)n1-c1ccccc1 ZINC000754669294 621523544 /nfs/dbraw/zinc/52/35/44/621523544.db2.gz XTHHCGPGBZIFNK-UHFFFAOYSA-N 0 0 322.412 3.147 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Cc1ccccc1OC(F)F ZINC000118494124 621535016 /nfs/dbraw/zinc/53/50/16/621535016.db2.gz QVZILOJEUIYJTG-UHFFFAOYSA-N 0 0 321.323 3.195 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)c1cc2c([nH]1)CCCC2 ZINC000862026433 621551137 /nfs/dbraw/zinc/55/11/37/621551137.db2.gz ODZODAZYLYMGER-UHFFFAOYSA-N 0 0 321.380 3.077 20 10 DGCDRN CC(C)CCO[C@H](C)C(=O)NCc1ccc2cccnc2c1O ZINC000862028101 621551202 /nfs/dbraw/zinc/55/12/02/621551202.db2.gz PRQGJPAQAABGBA-CYBMUJFWSA-N 0 0 316.401 3.008 20 10 DGCDRN CN(C)c1cc(F)c(CN(CCO)c2ccccc2)cc1F ZINC000862339018 621575722 /nfs/dbraw/zinc/57/57/22/621575722.db2.gz XFVNGTKIUXGJRD-UHFFFAOYSA-N 0 0 306.356 3.030 20 10 DGCDRN C[C@]1(F)CCCN(Cc2c(O)cccc2Br)C1 ZINC000862382117 621582344 /nfs/dbraw/zinc/58/23/44/621582344.db2.gz PYPSTIQGXTUMHW-ZDUSSCGKSA-N 0 0 302.187 3.479 20 10 DGCDRN Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000862435738 621589063 /nfs/dbraw/zinc/58/90/63/621589063.db2.gz JSDANOBVLPUBAK-UHFFFAOYSA-N 0 0 319.714 3.088 20 10 DGCDRN COc1cccc2c1CN(Cc1ccc(N(C)C)c(F)c1)C2 ZINC000862528986 621597051 /nfs/dbraw/zinc/59/70/51/621597051.db2.gz GIHLKZUJKLIQRR-UHFFFAOYSA-N 0 0 300.377 3.416 20 10 DGCDRN CCC(NC(=O)/C=C\c1ccc(O)c(O)c1)(C1CC1)C1CC1 ZINC000862685928 621609387 /nfs/dbraw/zinc/60/93/87/621609387.db2.gz KVJFTLDIAONAHV-WMZJFQQLSA-N 0 0 301.386 3.196 20 10 DGCDRN CC[C@@](O)(CC(=O)NCc1cc(C)ccc1O)c1ccccc1 ZINC000862754574 621613666 /nfs/dbraw/zinc/61/36/66/621613666.db2.gz GCOYNYKGTURBGI-LJQANCHMSA-N 0 0 313.397 3.005 20 10 DGCDRN CC[C@H]1CCCC[C@@H]1OCC(=O)NCc1cc(C)ccc1O ZINC000862757297 621613714 /nfs/dbraw/zinc/61/37/14/621613714.db2.gz OGDJOVJCEUAWAT-YOEHRIQHSA-N 0 0 305.418 3.302 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@H](C)Cn2ncc3ccccc32)c1 ZINC000862755977 621613982 /nfs/dbraw/zinc/61/39/82/621613982.db2.gz OMEBFRFNNIBBTR-CQSZACIVSA-N 0 0 323.396 3.003 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H](C)Cc2ccc(F)cc2)c1 ZINC000862758957 621614354 /nfs/dbraw/zinc/61/43/54/621614354.db2.gz REPVDEMIIMCMGV-ZDUSSCGKSA-N 0 0 301.361 3.335 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cccc([C@@H]3CCOC3)c2)c1 ZINC000862757804 621614379 /nfs/dbraw/zinc/61/43/79/621614379.db2.gz DRKAJRGFONYBDX-MRXNPFEDSA-N 0 0 311.381 3.135 20 10 DGCDRN Cc1noc(C)c1[C@@H](C)CC(=O)NCc1cc(C)ccc1O ZINC000862758011 621614411 /nfs/dbraw/zinc/61/44/11/621614411.db2.gz LPAPRQVZSCPKTE-NSHDSACASA-N 0 0 302.374 3.115 20 10 DGCDRN CCOc1ccc(C(=O)NCc2cc(C)ccc2O)cc1OC ZINC000862761014 621614863 /nfs/dbraw/zinc/61/48/63/621614863.db2.gz AJVJYPOOQJTJMC-UHFFFAOYSA-N 0 0 315.369 3.038 20 10 DGCDRN COc1cc(OC)c2c(c1)N(C(=O)/C=C/c1cccnc1)CCC2 ZINC000862775640 621615645 /nfs/dbraw/zinc/61/56/45/621615645.db2.gz MFHHMVAXVUTBLS-BQYQJAHWSA-N 0 0 324.380 3.091 20 10 DGCDRN COC(=O)[C@@H](CC1CCCCC1)NCc1cc(F)ccc1O ZINC000756146584 621618457 /nfs/dbraw/zinc/61/84/57/621618457.db2.gz KLNGTLZGYLYSHV-OAHLLOKOSA-N 0 0 309.381 3.133 20 10 DGCDRN Cc1cc(C(=O)Nc2ccc(C)[nH]c2=O)c(C)n1-c1ccccn1 ZINC000756242584 621622604 /nfs/dbraw/zinc/62/26/04/621622604.db2.gz ORLDHIRGLVJSLG-UHFFFAOYSA-N 0 0 322.368 3.150 20 10 DGCDRN CN1CCCc2cc(CNc3ncnc4ncccc43)ccc21 ZINC000119167383 621627089 /nfs/dbraw/zinc/62/70/89/621627089.db2.gz HWFSJIAOVPJSLL-UHFFFAOYSA-N 0 0 305.385 3.019 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCc2ccccc2F)c1 ZINC000756356392 621630528 /nfs/dbraw/zinc/63/05/28/621630528.db2.gz BERUJUSQDMEBNN-LBPRGKRZSA-N 0 0 317.360 3.211 20 10 DGCDRN C[C@H]([NH2+]CCCOc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756365830 621631692 /nfs/dbraw/zinc/63/16/92/621631692.db2.gz PBBSQJBPRHQUKJ-ZDUSSCGKSA-N 0 0 316.357 3.420 20 10 DGCDRN COc1ccccc1OCC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756371476 621632391 /nfs/dbraw/zinc/63/23/91/621632391.db2.gz JYICPCREKTUVBC-LLVKDONJSA-N 0 0 323.339 3.409 20 10 DGCDRN CC(C)C[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])N(C)C ZINC000756400002 621635529 /nfs/dbraw/zinc/63/55/29/621635529.db2.gz SMDNPDMJRKSLTI-AAEUAGOBSA-N 0 0 300.393 3.297 20 10 DGCDRN CCC(CC)[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])N(C)C ZINC000756398397 621635551 /nfs/dbraw/zinc/63/55/51/621635551.db2.gz DPECSNKTHWFWJP-WBMJQRKESA-N 0 0 323.437 3.317 20 10 DGCDRN C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756455514 621639706 /nfs/dbraw/zinc/63/97/06/621639706.db2.gz DDOVFEVWZVTKGB-GXTWGEPZSA-N 0 0 321.367 3.172 20 10 DGCDRN COc1ccc(CC[NH2+][C@@H](C)c2ccc(F)cc2[O-])c(OC)c1 ZINC000756495382 621641944 /nfs/dbraw/zinc/64/19/44/621641944.db2.gz JPRRIMSBDBSGPK-LBPRGKRZSA-N 0 0 319.376 3.442 20 10 DGCDRN C[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1cc(F)cc(F)c1[O-] ZINC000756503149 621642987 /nfs/dbraw/zinc/64/29/87/621642987.db2.gz LFZXZRNHJMYVJK-SECBINFHSA-N 0 0 320.330 3.051 20 10 DGCDRN CCOCC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC000863162271 621644030 /nfs/dbraw/zinc/64/40/30/621644030.db2.gz AOPQXIWCWGEIBG-UHFFFAOYSA-N 0 0 300.402 3.055 20 10 DGCDRN Cc1cc(CNC(=O)C[C@H]2CCCO2)c(C)n1-c1ccccc1 ZINC000863163559 621644329 /nfs/dbraw/zinc/64/43/29/621644329.db2.gz IVWPCCCFPKCHOG-GOSISDBHSA-N 0 0 312.413 3.279 20 10 DGCDRN Cc1cc(CNC(=O)COCC2CC2)c(C)n1-c1ccccc1 ZINC000863166487 621644658 /nfs/dbraw/zinc/64/46/58/621644658.db2.gz UYDCVJLOHFXVPE-UHFFFAOYSA-N 0 0 312.413 3.137 20 10 DGCDRN Cc1cc(CNC(=O)[C@@H]2C[C@@]23CCOC3)c(C)n1-c1ccccc1 ZINC000863166275 621644664 /nfs/dbraw/zinc/64/46/64/621644664.db2.gz WIKJDXYMJBUVRD-AZUAARDMSA-N 0 0 324.424 3.137 20 10 DGCDRN Cc1ccc2nc(C[NH2+][C@@H](C)c3cc(F)cc(F)c3[O-])cn2c1 ZINC000756533097 621645329 /nfs/dbraw/zinc/64/53/29/621645329.db2.gz GUOYPHADIGWSAS-NSHDSACASA-N 0 0 317.339 3.477 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cc(F)ccc2F)c1 ZINC000756549400 621647115 /nfs/dbraw/zinc/64/71/15/621647115.db2.gz NJCCWNFCHHICJC-SNVBAGLBSA-N 0 0 321.323 3.308 20 10 DGCDRN CC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756555076 621647703 /nfs/dbraw/zinc/64/77/03/621647703.db2.gz RRFQNFOIGMUYPM-ISVAXAHUSA-N 0 0 320.202 3.105 20 10 DGCDRN C[C@H]([NH2+]CC(C)(C)O)c1cc(Br)cc(Cl)c1[O-] ZINC000756562079 621649088 /nfs/dbraw/zinc/64/90/88/621649088.db2.gz FQVZVUGCPXIGSD-ZETCQYMHSA-N 0 0 322.630 3.230 20 10 DGCDRN C[C@@H]([NH2+]CCC(=O)Nc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756575803 621650679 /nfs/dbraw/zinc/65/06/79/621650679.db2.gz QLDACWNLZIFUSO-LLVKDONJSA-N 0 0 320.339 3.350 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756605674 621652042 /nfs/dbraw/zinc/65/20/42/621652042.db2.gz ULBZUUQNYVEZAD-TZMCWYRMSA-N 0 0 321.367 3.487 20 10 DGCDRN CN1CCC[C@@H]1C[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000211709936 625505315 /nfs/dbraw/zinc/50/53/15/625505315.db2.gz HKFUMWARCFCAMN-GFCCVEGCSA-N 0 0 303.233 3.225 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC[C@@H](SC)C2)c1 ZINC000756610530 621652757 /nfs/dbraw/zinc/65/27/57/621652757.db2.gz PGTTWKVDGNUNSK-CYZMBNFOSA-N 0 0 309.431 3.114 20 10 DGCDRN CCO[C@H](CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000756631031 621654152 /nfs/dbraw/zinc/65/41/52/621654152.db2.gz XDTPXIJZOBAVJI-BLLLJJGKSA-N 0 0 310.394 3.402 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)c2ccncc2)c1 ZINC000756632966 621654556 /nfs/dbraw/zinc/65/45/56/621654556.db2.gz GCWNCGXXWBRDFF-QWHCGFSZSA-N 0 0 314.385 3.028 20 10 DGCDRN C[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])Oc1ccccc1 ZINC000756707387 621659008 /nfs/dbraw/zinc/65/90/08/621659008.db2.gz YLIDUOAFQFJXCD-CHWSQXEVSA-N 0 0 316.357 3.419 20 10 DGCDRN C[C@H]([NH2+][C@H](CO)c1cccc(F)c1)c1cc(F)cc(F)c1[O-] ZINC000756713024 621659916 /nfs/dbraw/zinc/65/99/16/621659916.db2.gz SNGYICKWAUVLAZ-BJOHPYRUSA-N 0 0 311.303 3.194 20 10 DGCDRN Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756736925 621661740 /nfs/dbraw/zinc/66/17/40/621661740.db2.gz PXUVVWWBMSKBTA-GWCFXTLKSA-N 0 0 322.386 3.055 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1ccc(F)cc1[O-] ZINC000756741915 621661871 /nfs/dbraw/zinc/66/18/71/621661871.db2.gz YRMCJZUPSGTUNE-PSLIRLAXSA-N 0 0 311.303 3.194 20 10 DGCDRN C[C@H]([NH2+]CCC[C@@H]1CCCC[C@H]1O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756758434 621662902 /nfs/dbraw/zinc/66/29/02/621662902.db2.gz GUAYQSMRKKOWCB-HEHGZKQESA-N 0 0 322.405 3.282 20 10 DGCDRN CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756768977 621663432 /nfs/dbraw/zinc/66/34/32/621663432.db2.gz CGQRPFFYBUEEQF-BONVTDFDSA-N 0 0 301.377 3.364 20 10 DGCDRN C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cc(F)cc(F)c1[O-] ZINC000756786226 621664350 /nfs/dbraw/zinc/66/43/50/621664350.db2.gz ZHNQEVXDWYBWHF-SNVBAGLBSA-N 0 0 322.311 3.472 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(Cl)cn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756788165 621664845 /nfs/dbraw/zinc/66/48/45/621664845.db2.gz BLTPEFAJEMXBTN-VIFPVBQESA-N 0 0 307.737 3.200 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)C(C)(C)O)c1cc(Br)cc(F)c1[O-] ZINC000756817366 621666761 /nfs/dbraw/zinc/66/67/61/621666761.db2.gz FJYRRJKDZFFNBB-SFYZADRCSA-N 0 0 320.202 3.104 20 10 DGCDRN COCC1([NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])CC1 ZINC000756849487 621668291 /nfs/dbraw/zinc/66/82/91/621668291.db2.gz BGHSZRVTYJWJDN-QMMMGPOBSA-N 0 0 318.186 3.123 20 10 DGCDRN CCn1ncc(C(=O)NCc2ccccc2O)c1-c1ccccc1 ZINC000756859713 621668964 /nfs/dbraw/zinc/66/89/64/621668964.db2.gz CKFCTETYNMWBET-UHFFFAOYSA-N 0 0 321.380 3.206 20 10 DGCDRN CC[C@H]1CC[C@H](C(=O)NCc2ccc(N(CC)CC)c(F)c2)O1 ZINC000756934162 621673679 /nfs/dbraw/zinc/67/36/79/621673679.db2.gz OOEOVRGOSJGFDL-WMLDXEAASA-N 0 0 322.424 3.246 20 10 DGCDRN CCN(C)c1ccc(C[NH+]2[C@H](C)CC(C(=O)[O-])C[C@H]2C)cc1 ZINC000863476328 621676392 /nfs/dbraw/zinc/67/63/92/621676392.db2.gz AHHOLXQNJPTZPB-ZIAGYGMSSA-N 0 0 304.434 3.216 20 10 DGCDRN C[C@H]([NH2+][C@H]1CC[C@@H](C)NC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000863544773 621682541 /nfs/dbraw/zinc/68/25/41/621682541.db2.gz AQHCDSIKWIQGHJ-UTLUCORTSA-N 0 0 303.233 3.490 20 10 DGCDRN CC[C@@H](N[C@@H]1CC[NH2+][C@H]1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000863547242 621682974 /nfs/dbraw/zinc/68/29/74/621682974.db2.gz QKOORMGYOQGICM-ZEGGKSINSA-N 0 0 303.233 3.490 20 10 DGCDRN C1=CCN(c2ccc(CNc3ncnc4ncccc43)cc2)C1 ZINC000119566123 621696499 /nfs/dbraw/zinc/69/64/99/621696499.db2.gz AGGVTPFZOKZHCM-UHFFFAOYSA-N 0 0 303.369 3.013 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccccc2OC)c1 ZINC000103503322 621697149 /nfs/dbraw/zinc/69/71/49/621697149.db2.gz DVYPDWVMBOGQEZ-LLVKDONJSA-N 0 0 316.357 3.292 20 10 DGCDRN CNc1ccccc1C(=O)NCCCSc1nccs1 ZINC000839680545 621711384 /nfs/dbraw/zinc/71/13/84/621711384.db2.gz JCJNFFKLNKURME-UHFFFAOYSA-N 0 0 307.444 3.097 20 10 DGCDRN C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(O)c1)c1ccc(N(C)C)cc1 ZINC000839727727 621717387 /nfs/dbraw/zinc/71/73/87/621717387.db2.gz DAUWPPYXTHEVHM-ZNZDAUKMSA-N 0 0 324.424 3.439 20 10 DGCDRN C[C@H](NC(=O)c1cccc2ncn(C)c21)c1ccc(N(C)C)cc1 ZINC000863905596 621717837 /nfs/dbraw/zinc/71/78/37/621717837.db2.gz IVPFFDWAIHNLFQ-ZDUSSCGKSA-N 0 0 322.412 3.130 20 10 DGCDRN CN=[S@@](C)(=O)c1cccc(NCc2cc(OC)ccc2O)c1 ZINC000864014616 621727346 /nfs/dbraw/zinc/72/73/46/621727346.db2.gz TZKNNANRZDEERJ-QFIPXVFZSA-N 0 0 320.414 3.099 20 10 DGCDRN C[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1nccs1 ZINC000757701287 621734478 /nfs/dbraw/zinc/73/44/78/621734478.db2.gz YHVJVTKXBFPCGZ-NXEZZACHSA-N 0 0 307.375 3.211 20 10 DGCDRN COC(=O)c1cc(COc2ccc(N(C)C)cc2)c(C)s1 ZINC000757705297 621734939 /nfs/dbraw/zinc/73/49/39/621734939.db2.gz SWGBKXQPKVBNLZ-UHFFFAOYSA-N 0 0 305.399 3.488 20 10 DGCDRN O=C(OCc1cnn(Cc2ccccc2)c1)C1=CC(=O)CS1 ZINC000757713280 621735420 /nfs/dbraw/zinc/73/54/20/621735420.db2.gz YBKGSNSXCZOXDV-UHFFFAOYSA-N 0 0 314.366 3.056 20 10 DGCDRN COc1ccc(N(C)CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1F ZINC000757851034 621742846 /nfs/dbraw/zinc/74/28/46/621742846.db2.gz BKRIPFPZZZRIPY-WOSRLPQWSA-N 0 0 322.424 3.211 20 10 DGCDRN COc1ccc(N(C)CC(=O)NC2CCCCCCC2)cc1F ZINC000757853167 621743392 /nfs/dbraw/zinc/74/33/92/621743392.db2.gz UWBPWHFWYFOOIA-UHFFFAOYSA-N 0 0 322.424 3.500 20 10 DGCDRN CCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2C)SC1=S ZINC000757917879 621746734 /nfs/dbraw/zinc/74/67/34/621746734.db2.gz SFRAZAQOIJNBGR-XFFZJAGNSA-N 0 0 308.384 3.124 20 10 DGCDRN C[C@@H](CC(C)(C)[NH2+]Cc1cc(F)c(N(C)C)cc1F)C(=O)[O-] ZINC000864513992 621776258 /nfs/dbraw/zinc/77/62/58/621776258.db2.gz MNCUQDJMYRIJDW-JTQLQIEISA-N 0 0 314.376 3.010 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2C(=O)[O-])cc1F ZINC000864525529 621778793 /nfs/dbraw/zinc/77/87/93/621778793.db2.gz DCDDHMRCXQJHIP-DZGCQCFKSA-N 0 0 308.397 3.015 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@H](CC=C(C)C)C(=O)[O-])cc1 ZINC000864528049 621779388 /nfs/dbraw/zinc/77/93/88/621779388.db2.gz LBLUIHHUYRTIGT-QGZVFWFLSA-N 0 0 304.434 3.432 20 10 DGCDRN CCOC(=O)c1ccc(NCc2c(O)cccc2Cl)cn1 ZINC000758449469 621782949 /nfs/dbraw/zinc/78/29/49/621782949.db2.gz OEZPUYDVVBJSIM-UHFFFAOYSA-N 0 0 306.749 3.229 20 10 DGCDRN Oc1cc2c(cc1CNc1ccccc1N1CCCC1)OCO2 ZINC000120131118 621790126 /nfs/dbraw/zinc/79/01/26/621790126.db2.gz VXKINXUXIHNEFA-UHFFFAOYSA-N 0 0 312.369 3.333 20 10 DGCDRN Oc1cc2c(cc1CNc1ccccc1OC(F)F)OCO2 ZINC000120127634 621790250 /nfs/dbraw/zinc/79/02/50/621790250.db2.gz IAJMYPNLWLJAFX-UHFFFAOYSA-N 0 0 309.268 3.334 20 10 DGCDRN CCC(CC)n1ccc(COC(=O)c2cccc(O)c2O)n1 ZINC000758583614 621790454 /nfs/dbraw/zinc/79/04/54/621790454.db2.gz ZXHAKMCVNBTXKQ-UHFFFAOYSA-N 0 0 304.346 3.012 20 10 DGCDRN O=C(OCc1ncc(-c2cccs2)o1)c1cccc(O)c1O ZINC000758581245 621790475 /nfs/dbraw/zinc/79/04/75/621790475.db2.gz LPGMVYLENCVCJT-UHFFFAOYSA-N 0 0 317.322 3.171 20 10 DGCDRN COc1ccc(C)cc1NCc1ccc(N2CCOCC2)cc1 ZINC000120146975 621791442 /nfs/dbraw/zinc/79/14/42/621791442.db2.gz MCQBLXHIKZVEFE-UHFFFAOYSA-N 0 0 312.413 3.452 20 10 DGCDRN C[C@@H]1C[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)[C@@H](C)O1 ZINC000864786457 621813420 /nfs/dbraw/zinc/81/34/20/621813420.db2.gz SGHQDCCBEGWHMA-HBUWYVDXSA-N 0 0 316.445 3.057 20 10 DGCDRN C[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)c1ccncc1 ZINC000864861484 621823187 /nfs/dbraw/zinc/82/31/87/621823187.db2.gz BMEBKQNTJDODQO-HNNXBMFYSA-N 0 0 309.413 3.102 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@]23CCC[C@H]2OCC3)cc1 ZINC000864926920 621832019 /nfs/dbraw/zinc/83/20/19/621832019.db2.gz PDSLWPAGABJMRC-MJGOQNOKSA-N 0 0 316.445 3.108 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C)cnc1F ZINC000865027132 621848154 /nfs/dbraw/zinc/84/81/54/621848154.db2.gz HYDNWWHQKIRDMY-UHFFFAOYSA-N 0 0 315.392 3.257 20 10 DGCDRN C[C@@H]1C[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)[C@H](C)O1 ZINC000865030631 621848467 /nfs/dbraw/zinc/84/84/67/621848467.db2.gz BCAZJRRYDAHIJU-RVKKMQEKSA-N 0 0 316.445 3.107 20 10 DGCDRN CCC[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)CCO1 ZINC000759419262 621856367 /nfs/dbraw/zinc/85/63/67/621856367.db2.gz QKVCCYYZBXQHNL-CQSZACIVSA-N 0 0 311.809 3.249 20 10 DGCDRN Cc1cc(F)ccc1COC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000759596292 621874366 /nfs/dbraw/zinc/87/43/66/621874366.db2.gz UEPMLIXFPDQVIS-CLTKARDFSA-N 0 0 302.301 3.302 20 10 DGCDRN CCC[C@@H](C)N(C)C(=O)NCCCSc1nccs1 ZINC000759602533 621874657 /nfs/dbraw/zinc/87/46/57/621874657.db2.gz WUIOHHCPGXWPBB-LLVKDONJSA-N 0 0 301.481 3.455 20 10 DGCDRN CC[C@H]1C[C@@H](C)CN1C(=O)NCCCSc1nccs1 ZINC000759602494 621874753 /nfs/dbraw/zinc/87/47/53/621874753.db2.gz VYNAKAULFNUVFB-NEPJUHHUSA-N 0 0 313.492 3.455 20 10 DGCDRN Cc1cc(O)c(CNc2nnc([C@H]3CCCO3)s2)cc1C ZINC000865296396 621892590 /nfs/dbraw/zinc/89/25/90/621892590.db2.gz XEEXZYIBCNOFRW-CYBMUJFWSA-N 0 0 305.403 3.324 20 10 DGCDRN CCCn1nccc1NC(=O)CSc1ncc(Cl)s1 ZINC000865371221 621903566 /nfs/dbraw/zinc/90/35/66/621903566.db2.gz BJAQYBIONQBEST-UHFFFAOYSA-N 0 0 316.839 3.134 20 10 DGCDRN CCC(=O)c1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000760300138 621929937 /nfs/dbraw/zinc/92/99/37/621929937.db2.gz PHHGPBUXJANTPI-UHFFFAOYSA-N 0 0 310.397 3.275 20 10 DGCDRN COC(=O)[C@@H](C)Cc1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000760458083 621941928 /nfs/dbraw/zinc/94/19/28/621941928.db2.gz FAXOZAOHGJIPGH-JTQLQIEISA-N 0 0 319.382 3.058 20 10 DGCDRN CC(C)Cn1ncc(NC(=O)C2=CC(=O)CS2)c1C(F)F ZINC000761021259 621980027 /nfs/dbraw/zinc/98/00/27/621980027.db2.gz JFSZCYZFJRFGTJ-UHFFFAOYSA-N 0 0 315.345 3.496 20 10 DGCDRN Oc1cccc(Br)c1CNc1cnn2c1CCCC2 ZINC000865708250 621981095 /nfs/dbraw/zinc/98/10/95/621981095.db2.gz MBVDEGHRAOEFBL-UHFFFAOYSA-N 0 0 322.206 3.300 20 10 DGCDRN COc1ccc(N(C)Cc2cc3c(cc2OC)OCO3)cc1F ZINC000761216940 621995376 /nfs/dbraw/zinc/99/53/76/621995376.db2.gz SMZJPHDXLMINQS-UHFFFAOYSA-N 0 0 319.332 3.208 20 10 DGCDRN C[C@@H]1CC2(CCC2)CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000761573152 622018456 /nfs/dbraw/zinc/01/84/56/622018456.db2.gz WAMMSCPWBRXYMQ-CQSZACIVSA-N 0 0 301.434 3.227 20 10 DGCDRN CCCCC[C@H]1NC(=O)N([C@@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000761573619 622018511 /nfs/dbraw/zinc/01/85/11/622018511.db2.gz DBKLYLMLQGGSKI-XJKSGUPXSA-N 0 0 317.433 3.314 20 10 DGCDRN CC[C@H]1C(=O)N([C@H](C)c2ccc(N(C)C)cc2)C(=O)N1C1CC1 ZINC000761576172 622018513 /nfs/dbraw/zinc/01/85/13/622018513.db2.gz ASKWYIIUQCXKMA-WBMJQRKESA-N 0 0 315.417 3.019 20 10 DGCDRN COc1ccc(-n2c(C)cc(C(=O)Nc3nc(C)c[nH]3)c2C)cc1 ZINC000761751376 622027812 /nfs/dbraw/zinc/02/78/12/622027812.db2.gz GPWGHFOJVKOKMC-UHFFFAOYSA-N 0 0 324.384 3.387 20 10 DGCDRN CCOc1cccc(N2Cc3cccc(O)c3C2)c1[N+](=O)[O-] ZINC000866117644 622048479 /nfs/dbraw/zinc/04/84/79/622048479.db2.gz QHTGQDYEBVVZMN-UHFFFAOYSA-N 0 0 300.314 3.219 20 10 DGCDRN CC(C)c1cccc(C(=O)NCc2ccc(N(C)C)c(F)c2)n1 ZINC000762166655 622059341 /nfs/dbraw/zinc/05/93/41/622059341.db2.gz AGIRSZIUNBYOOR-UHFFFAOYSA-N 0 0 315.392 3.340 20 10 DGCDRN CN(C)c1ccc(CN[C@@H]2c3ccccc3OC[C@@H]2F)cc1F ZINC000866247980 622075407 /nfs/dbraw/zinc/07/54/07/622075407.db2.gz IWBCCIRSNACPTB-MAUKXSAKSA-N 0 0 318.367 3.453 20 10 DGCDRN Cc1cc(O)c(CNc2ccccc2C[S@@](C)=O)cc1C ZINC000762557125 622083512 /nfs/dbraw/zinc/08/35/12/622083512.db2.gz SXHYADUEZIFXDM-OAQYLSRUSA-N 0 0 303.427 3.500 20 10 DGCDRN CCOC(=O)c1cccnc1NCCCSc1nccs1 ZINC000762802387 622099697 /nfs/dbraw/zinc/09/96/97/622099697.db2.gz VANWCVIIQWEVJC-UHFFFAOYSA-N 0 0 323.443 3.309 20 10 DGCDRN Cc1ncc([C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000866454460 622121387 /nfs/dbraw/zinc/12/13/87/622121387.db2.gz CQLUGAMZZWRUOP-IUCAKERBSA-N 0 0 307.375 3.477 20 10 DGCDRN CCC[C@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C ZINC000763307048 622136903 /nfs/dbraw/zinc/13/69/03/622136903.db2.gz XQPYBHMNSOXIBN-SFHVURJKSA-N 0 0 318.461 3.416 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CC12CC(OCC)C2 ZINC000866598767 622144404 /nfs/dbraw/zinc/14/44/04/622144404.db2.gz OVNZMPVPUIZJER-KOHRHEQBSA-N 0 0 317.429 3.336 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000763477180 622147530 /nfs/dbraw/zinc/14/75/30/622147530.db2.gz DPTVJZBCAPFPBI-LBPRGKRZSA-N 0 0 307.752 3.147 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)C1(C(F)F)CCC1 ZINC000866770272 622163254 /nfs/dbraw/zinc/16/32/54/622163254.db2.gz UMMYNYVBXARKPR-UHFFFAOYSA-N 0 0 309.356 3.323 20 10 DGCDRN CCCc1ccc(C(=O)NCc2cccc(OC)c2O)s1 ZINC000866763166 622163263 /nfs/dbraw/zinc/16/32/63/622163263.db2.gz IKLZZZHKNGRSHN-UHFFFAOYSA-N 0 0 305.399 3.345 20 10 DGCDRN Cc1cnccc1NC(=O)NCCCSc1nccs1 ZINC000121718248 622174773 /nfs/dbraw/zinc/17/47/73/622174773.db2.gz CQWDUMHGUYYKRH-UHFFFAOYSA-N 0 0 308.432 3.150 20 10 DGCDRN COc1ccc(N(C)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1F ZINC000121712927 622174802 /nfs/dbraw/zinc/17/48/02/622174802.db2.gz ZBPKSTCOHHUJSQ-UHFFFAOYSA-N 0 0 320.320 3.388 20 10 DGCDRN COc1ccc(N(C)CC(=O)Nc2ccc(F)c(F)c2)cc1F ZINC000121805014 622183702 /nfs/dbraw/zinc/18/37/02/622183702.db2.gz KAYSJIHKHKTMGO-UHFFFAOYSA-N 0 0 324.302 3.187 20 10 DGCDRN COc1ccc(N(C)CCOc2ccccc2[N+](=O)[O-])cc1F ZINC000121803741 622183842 /nfs/dbraw/zinc/18/38/42/622183842.db2.gz FDEIFUCVFZTCRG-UHFFFAOYSA-N 0 0 320.320 3.258 20 10 DGCDRN COc1ccc(N(C)CC(=O)N2CCC(C)CC2)cc1Cl ZINC000121917866 622190922 /nfs/dbraw/zinc/19/09/22/622190922.db2.gz QRSPJNFVLPONQX-UHFFFAOYSA-N 0 0 310.825 3.043 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ncc(C)cn2)cc1 ZINC000764391624 622191132 /nfs/dbraw/zinc/19/11/32/622191132.db2.gz IFOSABWMMBLIOH-UHFFFAOYSA-N 0 0 306.369 3.445 20 10 DGCDRN COc1ccccc1CCNC(=O)N[C@H](C)c1ccccc1O ZINC000867955842 622196988 /nfs/dbraw/zinc/19/69/88/622196988.db2.gz HXCXLAOMRKVTFU-CYBMUJFWSA-N 0 0 314.385 3.004 20 10 DGCDRN COc1ccc(C)cc1CNC(=O)N[C@@H](C)c1ccccc1O ZINC000868012618 622205190 /nfs/dbraw/zinc/20/51/90/622205190.db2.gz IXEYGDQAGVHNSA-ZDUSSCGKSA-N 0 0 314.385 3.270 20 10 DGCDRN Nc1ccc(NC(=O)N2CCC[C@H](OC3CCC3)CC2)cc1 ZINC000868162148 622220110 /nfs/dbraw/zinc/22/01/10/622220110.db2.gz DTLRDTPTGPCQHU-INIZCTEOSA-N 0 0 303.406 3.224 20 10 DGCDRN CC1(C)CCC[C@@](O)(CNC(=O)Nc2ccc(N)cc2)CC1 ZINC000868164182 622220713 /nfs/dbraw/zinc/22/07/13/622220713.db2.gz VUPJZDDSANJTKU-KRWDZBQOSA-N 0 0 305.422 3.112 20 10 DGCDRN CC/C=C(/F)C(=O)NCc1cc(Br)ccc1O ZINC000868307266 622232386 /nfs/dbraw/zinc/23/23/86/622232386.db2.gz VUVASZRUHFRHCS-XCVCLJGOSA-N 0 0 302.143 3.034 20 10 DGCDRN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N[C@H](C)c1ccccc1O ZINC000868343110 622236697 /nfs/dbraw/zinc/23/66/97/622236697.db2.gz MGXSZSTYAIBCRV-CPUCHLNUSA-N 0 0 320.433 3.204 20 10 DGCDRN Cc1nc2nc(Sc3ncc(Cl)s3)nn2c(C)c1C ZINC000765003690 622239197 /nfs/dbraw/zinc/23/91/97/622239197.db2.gz ZYDCNSQDLLHSJI-UHFFFAOYSA-N 0 0 311.823 3.311 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1)c1ccccc1O ZINC000868460967 622245733 /nfs/dbraw/zinc/24/57/33/622245733.db2.gz IBVBZADYOCRQAH-ZENOOKHLSA-N 0 0 320.433 3.346 20 10 DGCDRN CSc1cc(CNC(=O)N[C@H](C)c2ccccc2O)ccn1 ZINC000868474528 622247400 /nfs/dbraw/zinc/24/74/00/622247400.db2.gz KBPNQTIVWCJDQU-LLVKDONJSA-N 0 0 317.414 3.070 20 10 DGCDRN C[C@@H](NC(=O)NC[C@H](C)c1nccs1)c1ccccc1O ZINC000868498121 622250493 /nfs/dbraw/zinc/25/04/93/622250493.db2.gz IYJWYFBRFPNIPJ-WDEREUQCSA-N 0 0 305.403 3.013 20 10 DGCDRN CCN(CC)c1ccc(CNS(=O)(=O)CC2CCCC2)cc1 ZINC000765166684 622250515 /nfs/dbraw/zinc/25/05/15/622250515.db2.gz KISMYVIUSHEPFI-UHFFFAOYSA-N 0 0 324.490 3.142 20 10 DGCDRN C[C@@H](NC(=O)NCC[C@@H]1CCSC1)c1ccc(N(C)C)cc1 ZINC000868515955 622253044 /nfs/dbraw/zinc/25/30/44/622253044.db2.gz XRFBOJOGRYYZCK-ZIAGYGMSSA-N 0 0 321.490 3.256 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1C[C@H]1C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000868515940 622253120 /nfs/dbraw/zinc/25/31/20/622253120.db2.gz XIHHGOXROJYBDI-OASPWFOLSA-N 0 0 315.339 3.064 20 10 DGCDRN CC(C)C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](C)c1ccccc1O ZINC000868516451 622253254 /nfs/dbraw/zinc/25/32/54/622253254.db2.gz IIOXAAYWRDRPBI-UNEWFSDZSA-N 0 0 320.433 3.346 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1CCCC12CCOCC2)c1ccccc1O ZINC000868582811 622260506 /nfs/dbraw/zinc/26/05/06/622260506.db2.gz MVNFUTMXXHJUOO-XJKSGUPXSA-N 0 0 318.417 3.102 20 10 DGCDRN C[C@@H](NC(=O)NCCC1C[C@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000868585478 622260867 /nfs/dbraw/zinc/26/08/67/622260867.db2.gz FPFWLLYUBNVGLT-MELADBBJSA-N 0 0 320.433 3.346 20 10 DGCDRN C[C@@H](NC(=O)NCC1(C(F)(F)F)CC1)c1ccccc1O ZINC000868601366 622262508 /nfs/dbraw/zinc/26/25/08/622262508.db2.gz NCYAOJOWFDNWQQ-SECBINFHSA-N 0 0 302.296 3.095 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ncc(C)s1 ZINC000765483273 622267537 /nfs/dbraw/zinc/26/75/37/622267537.db2.gz NFMVSSLCIZOJPT-UHFFFAOYSA-N 0 0 317.458 3.109 20 10 DGCDRN C[C@H](NC(=O)NCC[C@@]1(C)C[C@]1(F)Cl)c1ccccc1O ZINC000868742849 622279678 /nfs/dbraw/zinc/27/96/78/622279678.db2.gz DSSMXMDXTMCUMU-NZVBXONLSA-N 0 0 314.788 3.457 20 10 DGCDRN COc1ccc2c(c1)N(Cc1cc(Cl)ccc1O)CCO2 ZINC000765649749 622279801 /nfs/dbraw/zinc/27/98/01/622279801.db2.gz BEPSUGRSSCIVMH-UHFFFAOYSA-N 0 0 305.761 3.453 20 10 DGCDRN Cc1ccccc1C(=O)NCc1cccc(Br)c1O ZINC000765728516 622284512 /nfs/dbraw/zinc/28/45/12/622284512.db2.gz URDZGSXCADVOOZ-UHFFFAOYSA-N 0 0 320.186 3.393 20 10 DGCDRN O=C(NCc1cccc(Br)c1O)c1ccsc1 ZINC000765750414 622284864 /nfs/dbraw/zinc/28/48/64/622284864.db2.gz GEFBUIARGKFPEY-UHFFFAOYSA-N 0 0 312.188 3.146 20 10 DGCDRN CCC1(C(=O)NCc2cccc(Br)c2O)CCC1 ZINC000765752655 622285409 /nfs/dbraw/zinc/28/54/09/622285409.db2.gz YJXGIFHYYFCNHS-UHFFFAOYSA-N 0 0 312.207 3.351 20 10 DGCDRN C[C@H]1CC[C@@H](C(=O)NCc2cccc(Br)c2O)C1 ZINC000765770965 622286196 /nfs/dbraw/zinc/28/61/96/622286196.db2.gz UGFRFIIDNWRBIY-VHSXEESVSA-N 0 0 312.207 3.207 20 10 DGCDRN COC(=O)c1coc(CN2CCCCc3cc(OC)ccc32)c1 ZINC000766271211 622316129 /nfs/dbraw/zinc/31/61/29/622316129.db2.gz YBSGSDFOQCTVOY-UHFFFAOYSA-N 0 0 315.369 3.418 20 10 DGCDRN COc1ccc2c(c1)CCCN2CN1CC2(CCCC2)CC1=O ZINC000766341182 622322854 /nfs/dbraw/zinc/32/28/54/622322854.db2.gz OQEUZOALDKIWTR-UHFFFAOYSA-N 0 0 314.429 3.198 20 10 DGCDRN COc1ccc2c(c1)CCCN2CN1C(=O)C[C@@H]1c1ccccc1 ZINC000766341925 622323157 /nfs/dbraw/zinc/32/31/57/622323157.db2.gz USLZAPDZZLTVSW-LJQANCHMSA-N 0 0 322.408 3.379 20 10 DGCDRN COc1ccc(CNC(=S)Nc2c(C)cccc2C)nc1 ZINC000766512280 622335200 /nfs/dbraw/zinc/33/52/00/622335200.db2.gz IGHGQWVPEBMLMS-UHFFFAOYSA-N 0 0 301.415 3.194 20 10 DGCDRN COc1cccc(CNc2ccc(C)c(NC(C)=O)c2)c1O ZINC000122552111 622347188 /nfs/dbraw/zinc/34/71/88/622347188.db2.gz CCHFKAAUXRGENH-UHFFFAOYSA-N 0 0 300.358 3.280 20 10 DGCDRN C[C@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)CC[C@@H]1C ZINC000766775593 622352146 /nfs/dbraw/zinc/35/21/46/622352146.db2.gz GJPZEHSDEMGVJV-GJZGRUSLSA-N 0 0 315.461 3.257 20 10 DGCDRN COc1ccc(N(C)Cc2ccc(-c3cc[nH]n3)o2)cc1F ZINC000789750036 625561046 /nfs/dbraw/zinc/56/10/46/625561046.db2.gz ZCCGBEPTKLOZBM-UHFFFAOYSA-N 0 0 301.321 3.454 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(O)c(F)c2)cc1 ZINC000767302612 622388816 /nfs/dbraw/zinc/38/88/16/622388816.db2.gz ZHMFGQYRVAKMGA-UHFFFAOYSA-N 0 0 316.376 3.308 20 10 DGCDRN Cc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2ccco2)c(O)c1O ZINC000869786736 622402252 /nfs/dbraw/zinc/40/22/52/622402252.db2.gz BACBQGTZVYGBRO-HNNXBMFYSA-N 0 0 301.342 3.223 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)O[C@H](C)c2nncn2C)cc1 ZINC000805361824 622444564 /nfs/dbraw/zinc/44/45/64/622444564.db2.gz JMFVGTFFBAHZKX-CQSZACIVSA-N 0 0 324.384 3.141 20 10 DGCDRN CCN(CC)c1ccc(CN2CCCC[C@@H]2C(=O)OC)cc1 ZINC000768216243 622445999 /nfs/dbraw/zinc/44/59/99/622445999.db2.gz UEKAJTYXYMWLNA-QGZVFWFLSA-N 0 0 304.434 3.060 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCC(Oc2ccccc2F)CC1 ZINC000870244231 622446584 /nfs/dbraw/zinc/44/65/84/622446584.db2.gz GBTKBRCXKUYAQL-UHFFFAOYSA-N 0 0 321.373 3.276 20 10 DGCDRN CN1C(=O)c2ccccc2N[C@@H]1c1cc(Cl)cc(F)c1O ZINC000768266990 622448226 /nfs/dbraw/zinc/44/82/26/622448226.db2.gz ZHORAXFTPUGZEJ-AWEZNQCLSA-N 0 0 306.724 3.381 20 10 DGCDRN CC1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)CC(C)(C)C1 ZINC000768645792 622469034 /nfs/dbraw/zinc/46/90/34/622469034.db2.gz OTDQTXLPRUIITN-SOFGYWHQSA-N 0 0 303.402 3.396 20 10 DGCDRN CC1(C)CC[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000768733723 622473140 /nfs/dbraw/zinc/47/31/40/622473140.db2.gz XVUZUZYWAQUENM-MRXNPFEDSA-N 0 0 313.445 3.441 20 10 DGCDRN COc1ccc2c(c1)CCC[C@H]2CNC(=O)C1=CC(=O)CS1 ZINC000768731292 622473243 /nfs/dbraw/zinc/47/32/43/622473243.db2.gz CHKGDIXVXOYYNG-LBPRGKRZSA-N 0 0 317.410 3.312 20 10 DGCDRN Cc1ccc2oc(C(=O)NCCc3ccc(O)c(O)c3)cc2c1 ZINC000768903424 622484683 /nfs/dbraw/zinc/48/46/83/622484683.db2.gz DZQITBDXFZWKCO-UHFFFAOYSA-N 0 0 311.337 3.125 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C=C/c2ccsc2)c1 ZINC000768911755 622484824 /nfs/dbraw/zinc/48/48/24/622484824.db2.gz SYNWVLIXSKJXEZ-ZXCPCRMDSA-N 0 0 303.383 3.353 20 10 DGCDRN C[C@H](CCC1CC1)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000768965435 622488714 /nfs/dbraw/zinc/48/87/14/622488714.db2.gz DTLXHGKQFHDEKQ-CQSZACIVSA-N 0 0 303.450 3.473 20 10 DGCDRN COc1cccc(O)c1CN(Cc1ccco1)C[C@H]1CCCO1 ZINC000769044433 622494202 /nfs/dbraw/zinc/49/42/02/622494202.db2.gz HGVCAEYAVOVZOX-OAHLLOKOSA-N 0 0 317.385 3.175 20 10 DGCDRN CCCOc1ccc(CNC(=O)c2cccc(O)c2O)c(C)c1 ZINC000789854626 625571142 /nfs/dbraw/zinc/57/11/42/625571142.db2.gz DZGADVIWNDEGBX-UHFFFAOYSA-N 0 0 315.369 3.125 20 10 DGCDRN COc1ccc2c(c1)CN(Cc1ccc(N(C)C)c(F)c1)CC2 ZINC000769119818 622500076 /nfs/dbraw/zinc/50/00/76/622500076.db2.gz DRWQLYKVYJDVFF-UHFFFAOYSA-N 0 0 314.404 3.459 20 10 DGCDRN COc1cccc(O)c1CN1CCO[C@H](c2cccs2)C1 ZINC000769146243 622502117 /nfs/dbraw/zinc/50/21/17/622502117.db2.gz GMUHLERJVOXHQR-HNNXBMFYSA-N 0 0 305.399 3.036 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CC3CCC2CC3)cc1 ZINC000769180955 622506160 /nfs/dbraw/zinc/50/61/60/622506160.db2.gz VUFJFMQRTSCYBR-JFUPDXTOSA-N 0 0 315.461 3.473 20 10 DGCDRN CCN(CC)c1ccc(CN(CCOC)CC(F)F)cc1 ZINC000769304694 622515527 /nfs/dbraw/zinc/51/55/27/622515527.db2.gz BKIAKJVFEPDNDY-UHFFFAOYSA-N 0 0 300.393 3.246 20 10 DGCDRN O=C(CCOc1ccc(F)cc1Cl)NCc1ccccc1O ZINC000769363539 622520603 /nfs/dbraw/zinc/52/06/03/622520603.db2.gz SXMHGQOMCILFBL-UHFFFAOYSA-N 0 0 323.751 3.270 20 10 DGCDRN O=C(Cc1coc2cc3c(cc12)CCC3)NCc1ccccc1O ZINC000769364592 622520651 /nfs/dbraw/zinc/52/06/51/622520651.db2.gz IYQNXSPMSRQAAR-UHFFFAOYSA-N 0 0 321.376 3.486 20 10 DGCDRN CCOc1ccc(O)c(CN(CC(=O)OC(C)(C)C)C(C)C)c1 ZINC000769504321 622535154 /nfs/dbraw/zinc/53/51/54/622535154.db2.gz UABWLEHFCOQJRW-UHFFFAOYSA-N 0 0 323.433 3.343 20 10 DGCDRN COc1cccc(O)c1CN1CCc2c(F)ccc(F)c2C1 ZINC000769527273 622537947 /nfs/dbraw/zinc/53/79/47/622537947.db2.gz DLKQFYOLIOEXOY-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN CCC1(CC)CN(Cc2c(O)cccc2Cl)CC[S@]1=O ZINC000769558117 622540973 /nfs/dbraw/zinc/54/09/73/622540973.db2.gz SMPCPCJRHRHNTJ-HXUWFJFHSA-N 0 0 315.866 3.169 20 10 DGCDRN Cc1cccc(F)c1NNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000769763651 622558591 /nfs/dbraw/zinc/55/85/91/622558591.db2.gz NNYKBEXIUGXKKV-UHFFFAOYSA-N 0 0 320.349 3.356 20 10 DGCDRN O=C(CCCc1nc2ccccc2[nH]1)N1Cc2cccc(O)c2C1 ZINC000871197931 622565691 /nfs/dbraw/zinc/56/56/91/622565691.db2.gz AHBZCDNISGASCF-UHFFFAOYSA-N 0 0 321.380 3.134 20 10 DGCDRN O=C(N1Cc2cccc(O)c2C1)C1(c2cccc(F)c2)CCC1 ZINC000871197966 622565818 /nfs/dbraw/zinc/56/58/18/622565818.db2.gz BNQHMNTWOCMBOL-UHFFFAOYSA-N 0 0 311.356 3.495 20 10 DGCDRN O=C(CCCOc1cccc(F)c1)N1Cc2cccc(O)c2C1 ZINC000871201549 622566423 /nfs/dbraw/zinc/56/64/23/622566423.db2.gz WRWKLMPVOLZTPR-UHFFFAOYSA-N 0 0 315.344 3.233 20 10 DGCDRN CC(C)Oc1ccccc1CC(=O)N1Cc2cccc(O)c2C1 ZINC000871201143 622566567 /nfs/dbraw/zinc/56/65/67/622566567.db2.gz PWNXPVKPJKECID-UHFFFAOYSA-N 0 0 311.381 3.264 20 10 DGCDRN O=C(c1ccc(OCC2CC2)cc1)N1Cc2cccc(O)c2C1 ZINC000871201132 622566635 /nfs/dbraw/zinc/56/66/35/622566635.db2.gz PHVINWHXDOQFNB-UHFFFAOYSA-N 0 0 309.365 3.337 20 10 DGCDRN O=C([C@@H]1C[C@H]1c1cccc(F)c1F)N1Cc2cccc(O)c2C1 ZINC000871202878 622567358 /nfs/dbraw/zinc/56/73/58/622567358.db2.gz NWQYTOIBBDDYPB-QWHCGFSZSA-N 0 0 315.319 3.316 20 10 DGCDRN O=C(c1ccc([C@@H]2CCCOC2)cc1)N1Cc2cccc(O)c2C1 ZINC000871205247 622567806 /nfs/dbraw/zinc/56/78/06/622567806.db2.gz XFXXBOCULDIUCU-QGZVFWFLSA-N 0 0 323.392 3.442 20 10 DGCDRN O=C(c1ccc2c(c1O)CCCC2)N1Cc2cccc(O)c2C1 ZINC000871204858 622568079 /nfs/dbraw/zinc/56/80/79/622568079.db2.gz QMMWJIMTZTYCBN-UHFFFAOYSA-N 0 0 309.365 3.133 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCc1ccc2ncccc2c1 ZINC000770403849 622630991 /nfs/dbraw/zinc/63/09/91/622630991.db2.gz MUZSCVCSMGHRCE-YVMONPNESA-N 0 0 321.332 3.403 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC(C(C)C)C(C)C)c1 ZINC000770418114 622631753 /nfs/dbraw/zinc/63/17/53/622631753.db2.gz OLYNJRYHSXEAAX-GFCCVEGCSA-N 0 0 308.422 3.442 20 10 DGCDRN Cc1ccc(C(=O)NCCc2ccccc2Cl)c(O)c1O ZINC000770480666 622638029 /nfs/dbraw/zinc/63/80/29/622638029.db2.gz FDZFQLDKXBXGGR-UHFFFAOYSA-N 0 0 305.761 3.032 20 10 DGCDRN Cc1ccc(C(=O)NC2(c3ccc(Cl)cc3)CC2)c(O)c1O ZINC000770491116 622638963 /nfs/dbraw/zinc/63/89/63/622638963.db2.gz SPNKQSVFVQWLGH-UHFFFAOYSA-N 0 0 317.772 3.479 20 10 DGCDRN Cc1nc(C(=O)NCc2ccc(N(C)C)cc2C)sc1C ZINC000770495382 622639753 /nfs/dbraw/zinc/63/97/53/622639753.db2.gz MHFUIDALSYGALO-UHFFFAOYSA-N 0 0 303.431 3.064 20 10 DGCDRN CCS[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C)c(O)c1O ZINC000770505927 622640622 /nfs/dbraw/zinc/64/06/22/622640622.db2.gz OMWZKGZKEGJWCF-CHWSQXEVSA-N 0 0 309.431 3.200 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC12CCC2 ZINC000770629703 622654462 /nfs/dbraw/zinc/65/44/62/622654462.db2.gz KJVSXVUDLABRQR-UHFFFAOYSA-N 0 0 301.434 3.289 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1nccs1 ZINC000770693648 622661498 /nfs/dbraw/zinc/66/14/98/622661498.db2.gz DSURGEXSEQWJQG-UHFFFAOYSA-N 0 0 303.431 3.260 20 10 DGCDRN COC(=O)c1cnc(SCc2nc3c(o2)CCCC3)s1 ZINC000871673222 622663663 /nfs/dbraw/zinc/66/36/63/622663663.db2.gz HHDWTTIKWQZYLK-UHFFFAOYSA-N 0 0 310.400 3.089 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OCCc1cn[nH]c1 ZINC000770753278 622666865 /nfs/dbraw/zinc/66/68/65/622666865.db2.gz UMHYCYDEPMJSQH-UHFFFAOYSA-N 0 0 315.398 3.278 20 10 DGCDRN Cc1cc([C@H](C)NC(=O)c2c(F)ccc(O)c2O)c(C)s1 ZINC000789952471 625586123 /nfs/dbraw/zinc/58/61/23/625586123.db2.gz FCOIKWVWWKNPLG-QMMMGPOBSA-N 0 0 309.362 3.406 20 10 DGCDRN CC[C@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[C@H](C)O ZINC000789949207 625586713 /nfs/dbraw/zinc/58/67/13/625586713.db2.gz FWZUGWDFGNEFGY-YJBOKZPZSA-N 0 0 318.461 3.042 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](CO)CC1CC1 ZINC000770999804 622701096 /nfs/dbraw/zinc/70/10/96/622701096.db2.gz INVCJVMWQHFVFQ-CQSZACIVSA-N 0 0 318.442 3.046 20 10 DGCDRN O=S(=O)(C1CCC1)N(Cc1ccccc1O)C1CCCC1 ZINC000881921176 625589244 /nfs/dbraw/zinc/58/92/44/625589244.db2.gz ZFUOLYMYOVKXHM-UHFFFAOYSA-N 0 0 309.431 3.019 20 10 DGCDRN CC(C)Nc1ccccc1NCC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000871847846 622715451 /nfs/dbraw/zinc/71/54/51/622715451.db2.gz XXPWSKXXZGYFRX-GASCZTMLSA-N 0 0 303.450 3.423 20 10 DGCDRN Cc1cc(C)cc([C@H](C)NC(=O)c2c(F)ccc(O)c2O)c1 ZINC000789974391 625589365 /nfs/dbraw/zinc/58/93/65/625589365.db2.gz YOQRJXWTXJOGIV-NSHDSACASA-N 0 0 303.333 3.345 20 10 DGCDRN CCCOc1ccc(C[NH2+][C@H](CCSC)C(=O)[O-])cc1C ZINC000871871443 622724455 /nfs/dbraw/zinc/72/44/55/622724455.db2.gz FAUQNERTOXEBDD-CQSZACIVSA-N 0 0 311.447 3.080 20 10 DGCDRN CCCN(CCC)c1ccc(C[NH2+]C2CC(C(=O)[O-])C2)cc1 ZINC000871882151 622729021 /nfs/dbraw/zinc/72/90/21/622729021.db2.gz ZHHPGTBPFXDLHO-UHFFFAOYSA-N 0 0 304.434 3.266 20 10 DGCDRN Cn1c(-c2ccccc2)cnc1SCCOC[C@@H]1CCCO1 ZINC000123851668 622732099 /nfs/dbraw/zinc/73/20/99/622732099.db2.gz KZAUMQRTZSPATH-HNNXBMFYSA-N 0 0 318.442 3.375 20 10 DGCDRN Cc1cnccc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000771287578 622737992 /nfs/dbraw/zinc/73/79/92/622737992.db2.gz RQICPXKQSXHHBU-UHFFFAOYSA-N 0 0 309.413 3.310 20 10 DGCDRN C[C@H](NC(=O)c1c(F)ccc(O)c1O)[C@@H](C)c1ccccc1 ZINC000789991707 625591360 /nfs/dbraw/zinc/59/13/60/625591360.db2.gz ZLQFTAXGJRYLHH-MNOVXSKESA-N 0 0 303.333 3.159 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1ccc2c[nH]nc2c1 ZINC000789990779 625591395 /nfs/dbraw/zinc/59/13/95/625591395.db2.gz WCTFKYNKMDZKGM-UHFFFAOYSA-N 0 0 323.396 3.250 20 10 DGCDRN O=C(NCc1ccccc1O)c1ncoc1-c1ccc(F)cc1 ZINC000771417086 622756655 /nfs/dbraw/zinc/75/66/55/622756655.db2.gz KQHWUPFVTJJFOU-UHFFFAOYSA-N 0 0 312.300 3.116 20 10 DGCDRN COc1ccc(N2CCCN([C@@H](C)c3ncc(C)o3)CC2)cc1 ZINC000771441786 622759505 /nfs/dbraw/zinc/75/95/05/622759505.db2.gz FSAHBPQTDSQBCR-HNNXBMFYSA-N 0 0 315.417 3.265 20 10 DGCDRN CC(=O)C[C@H](C)NC(=O)c1sccc1-n1c(C)ccc1C ZINC000129341149 625593576 /nfs/dbraw/zinc/59/35/76/625593576.db2.gz JNHVCTCLYVNJCJ-JTQLQIEISA-N 0 0 304.415 3.253 20 10 DGCDRN Cc1ccc(-c2[nH]nc(NC(=O)C3=CC(=O)CS3)c2C)o1 ZINC000771670048 622785545 /nfs/dbraw/zinc/78/55/45/622785545.db2.gz USSINSWUDFHABP-UHFFFAOYSA-N 0 0 303.343 3.306 20 10 DGCDRN CCOc1cc(N2CC=C(c3ccc(Cl)nc3)CC2)ncn1 ZINC000772142695 622856094 /nfs/dbraw/zinc/85/60/94/622856094.db2.gz LIZVQSONNBSICI-UHFFFAOYSA-N 0 0 316.792 3.217 20 10 DGCDRN CC(C)COc1ccccc1NC[C@@H](O)C[C@](C)(O)C1CC1 ZINC000872212467 622859206 /nfs/dbraw/zinc/85/92/06/622859206.db2.gz GXYSXVZUJZUNSW-YJBOKZPZSA-N 0 0 307.434 3.045 20 10 DGCDRN CCCc1cc(N[C@@H](C)c2ccc(N(C)C)cc2)n2ncnc2n1 ZINC000772300056 622881918 /nfs/dbraw/zinc/88/19/18/622881918.db2.gz YTBSBHYBTMNHRN-ZDUSSCGKSA-N 0 0 324.432 3.316 20 10 DGCDRN CC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000772588986 622915227 /nfs/dbraw/zinc/91/52/27/622915227.db2.gz WTMQTPVEZSBTED-NSHDSACASA-N 0 0 300.358 3.039 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCCCOc1ccccc1 ZINC000772767314 622936162 /nfs/dbraw/zinc/93/61/62/622936162.db2.gz ADMLRLWKZZHJCJ-NTMALXAHSA-N 0 0 314.337 3.123 20 10 DGCDRN CC(C)[C@@]1(C)C[C@@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000772946165 622955297 /nfs/dbraw/zinc/95/52/97/622955297.db2.gz HUKRFUHEOCOFRR-VQIMIIECSA-N 0 0 300.446 3.367 20 10 DGCDRN CC(C)Cn1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000773000856 622963828 /nfs/dbraw/zinc/96/38/28/622963828.db2.gz QCHYWSPLDQHYBR-CQSZACIVSA-N 0 0 314.433 3.096 20 10 DGCDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 ZINC000773001694 622964028 /nfs/dbraw/zinc/96/40/28/622964028.db2.gz WNTYBHZCHZQQPG-LBPRGKRZSA-N 0 0 313.357 3.152 20 10 DGCDRN C[C@@H](NC(=O)c1[nH]nc2ccccc21)c1ccc(N(C)C)cc1 ZINC000773001260 622964242 /nfs/dbraw/zinc/96/42/42/622964242.db2.gz SAUUHDZSAAOQKH-GFCCVEGCSA-N 0 0 308.385 3.120 20 10 DGCDRN CC[C@@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000773017136 622967981 /nfs/dbraw/zinc/96/79/81/622967981.db2.gz UJHMQONJNASWMZ-JLJPHGGASA-N 0 0 304.434 3.135 20 10 DGCDRN Cc1nc(C)c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000773017577 622968109 /nfs/dbraw/zinc/96/81/09/622968109.db2.gz FNAXRRBUZUSUIH-JTQLQIEISA-N 0 0 303.431 3.317 20 10 DGCDRN CCO[C@H](CC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000773023385 622968925 /nfs/dbraw/zinc/96/89/25/622968925.db2.gz XGDQHRQHLXKRIV-RHSMWYFYSA-N 0 0 306.450 3.381 20 10 DGCDRN CSc1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)ccn1 ZINC000773027371 622970027 /nfs/dbraw/zinc/97/00/27/622970027.db2.gz VFCDCANVWIEDTI-LBPRGKRZSA-N 0 0 315.442 3.361 20 10 DGCDRN C[C@@H](NCc1ccn(C)n1)c1ccc(N2CCCCC2)c(F)c1 ZINC000773128170 622988994 /nfs/dbraw/zinc/98/89/94/622988994.db2.gz BGBNFLNUVYTRDJ-CQSZACIVSA-N 0 0 316.424 3.400 20 10 DGCDRN O=C(OCc1noc(C2CCCCC2)n1)C1=CC(=O)CS1 ZINC000773156288 622993277 /nfs/dbraw/zinc/99/32/77/622993277.db2.gz LTXCZOXSLCFQGR-UHFFFAOYSA-N 0 0 308.359 3.241 20 10 DGCDRN Cc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc(C)c(O)c1O ZINC000773216539 623001594 /nfs/dbraw/zinc/00/15/94/623001594.db2.gz ZYBMTJCOZSWTFX-CQSZACIVSA-N 0 0 313.397 3.418 20 10 DGCDRN Cc1occc1CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773228464 623002276 /nfs/dbraw/zinc/00/22/76/623002276.db2.gz HLSNDMWKKSHJEG-LBPRGKRZSA-N 0 0 301.390 3.214 20 10 DGCDRN CO[C@@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(C)(C)C ZINC000773348670 623015944 /nfs/dbraw/zinc/01/59/44/623015944.db2.gz XTTDWAGQIYCROX-BBRMVZONSA-N 0 0 321.465 3.174 20 10 DGCDRN Cc1cc(C(=O)NCCC(C)(C)O)c(C)n1-c1cccc(C)c1 ZINC000773394741 623022073 /nfs/dbraw/zinc/02/20/73/623022073.db2.gz WNSJKSUAYAHNNS-UHFFFAOYSA-N 0 0 314.429 3.293 20 10 DGCDRN CC[C@H](CSC)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773440871 623027990 /nfs/dbraw/zinc/02/79/90/623027990.db2.gz GZXGVGKTNFNZGJ-GXTWGEPZSA-N 0 0 309.479 3.254 20 10 DGCDRN CC[C@@H](C)n1ncc(C(=O)NCc2ccc(N(C)C)cc2)c1C ZINC000790200235 625616137 /nfs/dbraw/zinc/61/61/37/625616137.db2.gz SBVCNGWHELUMSM-CYBMUJFWSA-N 0 0 314.433 3.159 20 10 DGCDRN C[C@@H](NC(=O)N1CC[C@@H](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000773615375 623051578 /nfs/dbraw/zinc/05/15/78/623051578.db2.gz WLPPVQAHXLSCGE-CZUORRHYSA-N 0 0 301.434 3.255 20 10 DGCDRN C[C@@H](NC(=O)N(C)Cc1nccs1)c1ccc(N(C)C)cc1 ZINC000773621587 623051768 /nfs/dbraw/zinc/05/17/68/623051768.db2.gz CLTAWTVUIMPURR-GFCCVEGCSA-N 0 0 318.446 3.112 20 10 DGCDRN C[C@H](NC(=O)N1CCC[C@@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000773615994 623051780 /nfs/dbraw/zinc/05/17/80/623051780.db2.gz CQFHSHQVDIVTJD-SUMWQHHRSA-N 0 0 301.434 3.398 20 10 DGCDRN C[C@@H](NC(=O)N1CCCC2(CC2)C1)c1ccc(N(C)C)cc1 ZINC000773616641 623051848 /nfs/dbraw/zinc/05/18/48/623051848.db2.gz LBABDANZMQYJTK-CQSZACIVSA-N 0 0 301.434 3.399 20 10 DGCDRN C[C@H](NC(=O)N(C)Cc1cscn1)c1ccc(N(C)C)cc1 ZINC000773622791 623052319 /nfs/dbraw/zinc/05/23/19/623052319.db2.gz IAENCWZQTRKYCF-LBPRGKRZSA-N 0 0 318.446 3.112 20 10 DGCDRN CCOC(=O)[C@H]1CCCCN1Cc1ccc(N(C)CC)cc1 ZINC000773732843 623064525 /nfs/dbraw/zinc/06/45/25/623064525.db2.gz UEYFFPZSJZGFPM-QGZVFWFLSA-N 0 0 304.434 3.060 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(C(F)F)cc1 ZINC000773739523 623065492 /nfs/dbraw/zinc/06/54/92/623065492.db2.gz BDNJGXCEVHEFCY-SNVBAGLBSA-N 0 0 321.323 3.396 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000773748257 623065996 /nfs/dbraw/zinc/06/59/96/623065996.db2.gz IPMWGGRSQVBHHR-HZSPNIEDSA-N 0 0 305.418 3.361 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(F)cc(Cl)c1 ZINC000773747694 623066511 /nfs/dbraw/zinc/06/65/11/623066511.db2.gz FBCQZIWHNQEHHY-SECBINFHSA-N 0 0 323.751 3.251 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2ccsc2[nH]1 ZINC000773749521 623067869 /nfs/dbraw/zinc/06/78/69/623067869.db2.gz ALARYRKPVSWMMP-SECBINFHSA-N 0 0 316.382 3.002 20 10 DGCDRN CCN(C)c1ccc(CN[C@@H](c2nc[nH]n2)c2ccccc2)cc1 ZINC000773887067 623085128 /nfs/dbraw/zinc/08/51/28/623085128.db2.gz AGBSWOZQJVDBRH-GOSISDBHSA-N 0 0 321.428 3.140 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1nnc(C(C)C)s1 ZINC000774042413 623101428 /nfs/dbraw/zinc/10/14/28/623101428.db2.gz DJZICZKXXHNEIL-UHFFFAOYSA-N 0 0 319.430 3.420 20 10 DGCDRN CCN(CC)C(=O)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774142069 623112137 /nfs/dbraw/zinc/11/21/37/623112137.db2.gz XOMFUYSUUKGWFV-SECBINFHSA-N 0 0 319.232 3.218 20 10 DGCDRN CC[C@H](OC(=O)c1cc(C)n(-c2ccccn2)c1C)C(C)=O ZINC000873343272 623116025 /nfs/dbraw/zinc/11/60/25/623116025.db2.gz OYUDCQUAWUZZAM-HNNXBMFYSA-N 0 0 300.358 3.014 20 10 DGCDRN CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)OC2CC2)C1 ZINC000774244528 623124464 /nfs/dbraw/zinc/12/44/64/623124464.db2.gz PPWFFJDWDLHNIX-UHFFFAOYSA-N 0 0 312.413 3.113 20 10 DGCDRN CCn1cc(NC(=S)N[C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000774259609 623125589 /nfs/dbraw/zinc/12/55/89/623125589.db2.gz WSSDVJMRWZFYAC-GFCCVEGCSA-N 0 0 317.462 3.017 20 10 DGCDRN Cn1c(-c2ccccc2)cnc1SCO[C@H]1CCCOC1 ZINC000882070373 625624920 /nfs/dbraw/zinc/62/49/20/625624920.db2.gz MVQASDHKADQGIG-AWEZNQCLSA-N 0 0 304.415 3.332 20 10 DGCDRN CCC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000774869207 623202238 /nfs/dbraw/zinc/20/22/38/623202238.db2.gz JIRHMQGMTMQLTG-UHFFFAOYSA-N 0 0 308.378 3.321 20 10 DGCDRN COc1cc(F)ccc1NCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774915774 623207957 /nfs/dbraw/zinc/20/79/57/623207957.db2.gz VDNOSMBKSAEZPN-UHFFFAOYSA-N 0 0 322.292 3.069 20 10 DGCDRN CCC[C@H](CC)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000873862689 623216730 /nfs/dbraw/zinc/21/67/30/623216730.db2.gz QUHUQEJIAOVZMX-KRWDZBQOSA-N 0 0 318.461 3.308 20 10 DGCDRN COc1c(O)c(CN2CCc3cc(C)ccc32)ccc1[N+](=O)[O-] ZINC000775055994 623222015 /nfs/dbraw/zinc/22/20/15/623222015.db2.gz JWSYAFRWHTTZHZ-UHFFFAOYSA-N 0 0 314.341 3.180 20 10 DGCDRN COc1c([O-])c(C[N@H+](C)C[C@@H]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000775061106 623223641 /nfs/dbraw/zinc/22/36/41/623223641.db2.gz SATCUMCWIQNKEO-GFCCVEGCSA-N 0 0 306.362 3.097 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000775059033 623223831 /nfs/dbraw/zinc/22/38/31/623223831.db2.gz HIUFGHFKWORFNK-NTZNESFSSA-N 0 0 308.378 3.223 20 10 DGCDRN C[C@@H](C1CC1)N(C(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC000873988821 623227886 /nfs/dbraw/zinc/22/78/86/623227886.db2.gz SBNXRXAJELBXMJ-JTQLQIEISA-N 0 0 300.362 3.252 20 10 DGCDRN CCC[C@@]1(CO)CCC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000775178905 623238645 /nfs/dbraw/zinc/23/86/45/623238645.db2.gz WQXZPUIBPWXANL-HNNXBMFYSA-N 0 0 301.789 3.312 20 10 DGCDRN CC(C)C[C@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874260467 623254118 /nfs/dbraw/zinc/25/41/18/623254118.db2.gz XYRFDCILZJZHHU-CQSZACIVSA-N 0 0 302.378 3.500 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000775362618 623260133 /nfs/dbraw/zinc/26/01/33/623260133.db2.gz IZVSOGJNZGNVTA-GFCCVEGCSA-N 0 0 315.373 3.217 20 10 DGCDRN C[C@H](NC(=O)CC1(O)CCCCC1)c1ccc(N(C)C)cc1 ZINC000775402783 623269485 /nfs/dbraw/zinc/26/94/85/623269485.db2.gz CMNOCRIRQFKVHM-AWEZNQCLSA-N 0 0 304.434 3.015 20 10 DGCDRN C[C@H](NC(=O)c1ccc(O)cc1F)c1ccc(N(C)C)cc1 ZINC000775406900 623270582 /nfs/dbraw/zinc/27/05/82/623270582.db2.gz PZDKEECXJILIFP-NSHDSACASA-N 0 0 302.349 3.088 20 10 DGCDRN C[C@H](NC(=O)CN(C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000775407396 623270598 /nfs/dbraw/zinc/27/05/98/623270598.db2.gz UDPBIIJKMNHNOI-HNNXBMFYSA-N 0 0 311.429 3.066 20 10 DGCDRN CC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775409889 623271013 /nfs/dbraw/zinc/27/10/13/623271013.db2.gz HNYCDJSDGHPLOD-ZDUSSCGKSA-N 0 0 310.397 3.446 20 10 DGCDRN C[C@@H](NC(=O)c1cccc2n[nH]cc21)c1ccc(N(C)C)cc1 ZINC000775411998 623271984 /nfs/dbraw/zinc/27/19/84/623271984.db2.gz TXKCEQANOCATPV-GFCCVEGCSA-N 0 0 308.385 3.120 20 10 DGCDRN CC(=O)c1ccccc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775412386 623272058 /nfs/dbraw/zinc/27/20/58/623272058.db2.gz XLSPBHRPBALULE-CYBMUJFWSA-N 0 0 310.397 3.446 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H]1COCCO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775490333 623279683 /nfs/dbraw/zinc/27/96/83/623279683.db2.gz BYHFOBCDKFICFZ-JOYOIKCWSA-N 0 0 320.216 3.155 20 10 DGCDRN Cc1noc(C)c1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775585895 623293858 /nfs/dbraw/zinc/29/38/58/623293858.db2.gz LNDRVXSGEZSLSM-JTQLQIEISA-N 0 0 302.378 3.240 20 10 DGCDRN CC(C)CNC(=O)C1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000775647920 623303650 /nfs/dbraw/zinc/30/36/50/623303650.db2.gz HSCSFNHTLMIXPL-UHFFFAOYSA-N 0 0 324.852 3.030 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000775725087 623319214 /nfs/dbraw/zinc/31/92/14/623319214.db2.gz HHSIXEWKLLXVOB-ZDUSSCGKSA-N 0 0 323.742 3.181 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000775740317 623321795 /nfs/dbraw/zinc/32/17/95/623321795.db2.gz UOZUCRCNKUMEIE-RYUDHWBXSA-N 0 0 313.800 3.433 20 10 DGCDRN O=C(NCc1ccccc1O)[C@@H]1CCc2c1cccc2Cl ZINC000775779555 623330622 /nfs/dbraw/zinc/33/06/22/623330622.db2.gz BKNATYZUWJHZEW-CQSZACIVSA-N 0 0 301.773 3.392 20 10 DGCDRN CCOc1cccc(CNc2ccc(N3CCCC3)cn2)c1O ZINC000776036203 623368368 /nfs/dbraw/zinc/36/83/68/623368368.db2.gz CLZURPVTUHLBKO-UHFFFAOYSA-N 0 0 313.401 3.398 20 10 DGCDRN CC(C)[C@H]1CCN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000776041420 623369172 /nfs/dbraw/zinc/36/91/72/623369172.db2.gz LMASQHYGTSRCKS-MRXNPFEDSA-N 0 0 301.434 3.009 20 10 DGCDRN C[C@](O)(C[NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccccc1 ZINC000776175482 623390276 /nfs/dbraw/zinc/39/02/76/623390276.db2.gz RRRLMRCAGZTKMI-INIZCTEOSA-N 0 0 309.768 3.182 20 10 DGCDRN CO[C@@]1(C)C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1(C)C ZINC000776220057 623398420 /nfs/dbraw/zinc/39/84/20/623398420.db2.gz JTZKJLUIMBELTR-DOMZBBRYSA-N 0 0 301.789 3.478 20 10 DGCDRN C[C@H](NC(=O)N(C)CCOC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000776238052 623400769 /nfs/dbraw/zinc/40/07/69/623400769.db2.gz HWORAWAKEJMMCC-AWEZNQCLSA-N 0 0 321.465 3.270 20 10 DGCDRN CCn1c2ccc(C)cc2nc1NC(=O)C1=CC(=O)CS1 ZINC000776249446 623400817 /nfs/dbraw/zinc/40/08/17/623400817.db2.gz XHTDURMTGFLGOF-UHFFFAOYSA-N 0 0 301.371 3.384 20 10 DGCDRN CCCCN(CCCO)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776243973 623400907 /nfs/dbraw/zinc/40/09/07/623400907.db2.gz DGVMQYJIMDBEEA-OAHLLOKOSA-N 0 0 321.465 3.008 20 10 DGCDRN COc1ccc(CN[C@H](C(=O)OC(C)(C)C)C(C)C)cc1C ZINC000776251748 623401620 /nfs/dbraw/zinc/40/16/20/623401620.db2.gz YICWCMJDWJGNOB-INIZCTEOSA-N 0 0 307.434 3.460 20 10 DGCDRN COc1cc(O)c(CNc2ccc3c(c2)COC3)cc1OC ZINC000776252402 623401829 /nfs/dbraw/zinc/40/18/29/623401829.db2.gz TUXVKBSLQRVIDI-UHFFFAOYSA-N 0 0 301.342 3.052 20 10 DGCDRN O=C(OCc1ncc(-c2ccccc2)o1)c1cccc(O)c1O ZINC000776284074 623407090 /nfs/dbraw/zinc/40/70/90/623407090.db2.gz RYQRVIYCWJBGHP-UHFFFAOYSA-N 0 0 311.293 3.110 20 10 DGCDRN O=C(NCCc1cccc2ccccc21)c1cccc(O)c1O ZINC000776347338 623414952 /nfs/dbraw/zinc/41/49/52/623414952.db2.gz ZJXYXDMKLRDLMO-UHFFFAOYSA-N 0 0 307.349 3.224 20 10 DGCDRN COc1cccc([C@H](C)NC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000875129654 623419463 /nfs/dbraw/zinc/41/94/63/623419463.db2.gz USCSAMJZBDBATF-LBPRGKRZSA-N 0 0 312.369 3.187 20 10 DGCDRN C[C@H](Cc1ccsc1)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875134637 623419584 /nfs/dbraw/zinc/41/95/84/623419584.db2.gz DPPACRJRMXPLJS-LLVKDONJSA-N 0 0 302.399 3.110 20 10 DGCDRN COc1cc(CNC(=O)N[C@@H](C)c2ccccc2O)ccc1C ZINC000875141417 623420606 /nfs/dbraw/zinc/42/06/06/623420606.db2.gz PPUBWIGEHUQYHM-ZDUSSCGKSA-N 0 0 314.385 3.270 20 10 DGCDRN CCOc1ccc(CNC(=O)N[C@H](C)c2ccccc2O)cc1 ZINC000875152782 623422991 /nfs/dbraw/zinc/42/29/91/623422991.db2.gz RDHSQEMSENAMLL-CYBMUJFWSA-N 0 0 314.385 3.351 20 10 DGCDRN Cc1ccc2c(c1C)OC[C@H]2NC(=O)N1Cc2cccc(O)c2C1 ZINC000875227733 623428884 /nfs/dbraw/zinc/42/88/84/623428884.db2.gz KWTRMMXUYLBIHY-MRXNPFEDSA-N 0 0 324.380 3.168 20 10 DGCDRN CC[C@@H](NC(=O)N1Cc2cccc(O)c2C1)c1nc(C)cs1 ZINC000875242361 623430217 /nfs/dbraw/zinc/43/02/17/623430217.db2.gz MLZLPOPEEZKRDB-CYBMUJFWSA-N 0 0 317.414 3.334 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1CCc2c1cccc2O)c1ccccc1O ZINC000875314166 623436871 /nfs/dbraw/zinc/43/68/71/623436871.db2.gz IYJSHOXRVKNHCE-IAQYHMDHSA-N 0 0 312.369 3.146 20 10 DGCDRN CCS[C@H]1CCC[C@@H](NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000875343059 623439884 /nfs/dbraw/zinc/43/98/84/623439884.db2.gz SAMIIBVJLCJVNR-KGLIPLIRSA-N 0 0 320.458 3.482 20 10 DGCDRN COc1cccc2c1CC[C@H]2NC(=O)N1Cc2cccc(O)c2C1 ZINC000875379525 623444050 /nfs/dbraw/zinc/44/40/50/623444050.db2.gz QAFVDXLWGWFMPZ-MRXNPFEDSA-N 0 0 324.380 3.114 20 10 DGCDRN CC(C)C[C@@H]1OCCC[C@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000875509775 623457434 /nfs/dbraw/zinc/45/74/34/623457434.db2.gz ZSAFMZHWLGWLAU-WBVHZDCISA-N 0 0 318.417 3.011 20 10 DGCDRN COc1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2)c(C)c1C ZINC000776747661 623458999 /nfs/dbraw/zinc/45/89/99/623458999.db2.gz JFBLKFNLOPYQFW-UHFFFAOYSA-N 0 0 321.398 3.127 20 10 DGCDRN Cc1cc(NS(=O)(=O)c2cc(F)cc(Cl)c2)ccc1O ZINC000776748492 623459114 /nfs/dbraw/zinc/45/91/14/623459114.db2.gz LEQRZUZDBNMNDK-UHFFFAOYSA-N 0 0 315.753 3.294 20 10 DGCDRN C[C@H]1CC(CCNC(=O)N2Cc3cccc(O)c3C2)C[C@H](C)O1 ZINC000875567610 623466511 /nfs/dbraw/zinc/46/65/11/623466511.db2.gz KASGEAKZSOVAGN-STQMWFEESA-N 0 0 318.417 3.011 20 10 DGCDRN CCO[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)c1ccccc1O ZINC000875655580 623475959 /nfs/dbraw/zinc/47/59/59/623475959.db2.gz FUWAPSMVZNDWPT-JGGQBBKZSA-N 0 0 306.406 3.100 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C1CC1)C1CC1 ZINC000875673827 623478750 /nfs/dbraw/zinc/47/87/50/623478750.db2.gz UARLMUYEHLBMDB-CQSZACIVSA-N 0 0 315.461 3.328 20 10 DGCDRN CO[C@@H](CNC(=O)N1Cc2cccc(O)c2C1)C1CCCCC1 ZINC000875751029 623487966 /nfs/dbraw/zinc/48/79/66/623487966.db2.gz PXAJUDRTNVQFOC-KRWDZBQOSA-N 0 0 318.417 3.013 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H](C)O[C@H]1C ZINC000875988302 623520452 /nfs/dbraw/zinc/52/04/52/623520452.db2.gz FROXZGWKXUWKIT-OFQRWUPVSA-N 0 0 320.433 3.270 20 10 DGCDRN COc1cc2c(cc1F)CN(Cc1ccc(N(C)C)cc1)CC2 ZINC000777441079 623525971 /nfs/dbraw/zinc/52/59/71/623525971.db2.gz WGBRIGBDJBLKQO-UHFFFAOYSA-N 0 0 314.404 3.459 20 10 DGCDRN COc1cccc(CNC(=O)NCC2CCC3(CC3)CC2)c1O ZINC000876044084 623532911 /nfs/dbraw/zinc/53/29/11/623532911.db2.gz ANSJKTOELKAWLX-UHFFFAOYSA-N 0 0 318.417 3.170 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NOC1CCCCC1 ZINC000777553776 623540747 /nfs/dbraw/zinc/54/07/47/623540747.db2.gz WBHURJUHSIWTER-UHFFFAOYSA-N 0 0 315.417 3.126 20 10 DGCDRN O=C1NC(=S)S/C1=C/c1ccccc1OC(F)(F)F ZINC000209431820 623551591 /nfs/dbraw/zinc/55/15/91/623551591.db2.gz FOXHEOVIHRNVRL-VMPITWQZSA-N 0 0 305.302 3.074 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1N(C)CCCC1(C)C)c1cc(F)cc(F)c1[O-] ZINC000790495875 625661147 /nfs/dbraw/zinc/66/11/47/625661147.db2.gz CZEMILOMOBHVDA-XHDPSFHLSA-N 0 0 312.404 3.441 20 10 DGCDRN Cc1nocc1NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000888722742 623601910 /nfs/dbraw/zinc/60/19/10/623601910.db2.gz PRMIUQBKSYUMPQ-GFCCVEGCSA-N 0 0 316.405 3.110 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Cc2ccc(F)cc2Cl)c1 ZINC000125925943 623605961 /nfs/dbraw/zinc/60/59/61/623605961.db2.gz ZOCZMJUIRKENLU-UHFFFAOYSA-N 0 0 323.751 3.052 20 10 DGCDRN Oc1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CCn2ccnc2C1 ZINC000778188745 623622184 /nfs/dbraw/zinc/62/21/84/623622184.db2.gz INGMDFADSUHGQH-SFHVURJKSA-N 0 0 319.408 3.360 20 10 DGCDRN C[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000125967357 623625012 /nfs/dbraw/zinc/62/50/12/623625012.db2.gz VLWCMAZGMGALSH-WBVHZDCISA-N 0 0 313.445 3.441 20 10 DGCDRN [O-]c1c(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)ccc(F)c1F ZINC000876807427 623711080 /nfs/dbraw/zinc/71/10/80/623711080.db2.gz DHOHSNVILXEOQE-JSGCOSHPSA-N 0 0 323.339 3.352 20 10 DGCDRN C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCc2ccc(O)c(O)c2)o1 ZINC000778926721 623712036 /nfs/dbraw/zinc/71/20/36/623712036.db2.gz FNODIFLCHMZMQY-BXUZGUMPSA-N 0 0 315.369 3.063 20 10 DGCDRN C[C@H](Cc1cccc(Cl)c1)C(=O)NCc1ccc(O)c(O)c1 ZINC000778927067 623712338 /nfs/dbraw/zinc/71/23/38/623712338.db2.gz JQOMVCPZTKIAKL-LLVKDONJSA-N 0 0 319.788 3.246 20 10 DGCDRN Cc1cc(C)c(/C=C\C(=O)NCc2ccc(O)c(O)c2)cc1C ZINC000778927726 623712646 /nfs/dbraw/zinc/71/26/46/623712646.db2.gz UAIJIYLFUCHJIM-ALCCZGGFSA-N 0 0 311.381 3.353 20 10 DGCDRN COc1ccc(N(C)Cc2ccc([N+](=O)[O-])c(OC)c2)cc1F ZINC000778948278 623714337 /nfs/dbraw/zinc/71/43/37/623714337.db2.gz LAFPCRNNMKWKIE-UHFFFAOYSA-N 0 0 320.320 3.388 20 10 DGCDRN COCCOCc1cccc(NCc2ccc(C)cc2O)c1 ZINC000876822747 623718541 /nfs/dbraw/zinc/71/85/41/623718541.db2.gz JNMXIDWKIVZYAI-UHFFFAOYSA-N 0 0 301.386 3.476 20 10 DGCDRN Cc1cccc(O)c1CNc1cccc(CS(C)(=O)=O)c1C ZINC000876827185 623720972 /nfs/dbraw/zinc/72/09/72/623720972.db2.gz LKAVVSQMFDZXBI-UHFFFAOYSA-N 0 0 319.426 3.166 20 10 DGCDRN Cc1[nH]c2c(cc(C)cc2CNC(=O)c2cccc(O)c2O)c1C ZINC000790570301 625671639 /nfs/dbraw/zinc/67/16/39/625671639.db2.gz BATNPHBZXSTYPL-UHFFFAOYSA-N 0 0 324.380 3.434 20 10 DGCDRN CC[C@]1(CO)CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000779210994 623743204 /nfs/dbraw/zinc/74/32/04/623743204.db2.gz XVQLHJQYMUQLNY-HNNXBMFYSA-N 0 0 301.789 3.169 20 10 DGCDRN Cc1cccc(O)c1C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000876920408 623744020 /nfs/dbraw/zinc/74/40/20/623744020.db2.gz QLFKOURRHANJGJ-UHFFFAOYSA-N 0 0 324.468 3.497 20 10 DGCDRN COc1cccc(CN2CCN(C3CC3)c3ccccc32)c1O ZINC000779226516 623744762 /nfs/dbraw/zinc/74/47/62/623744762.db2.gz SSHWNXFIJGWKOS-UHFFFAOYSA-N 0 0 310.397 3.390 20 10 DGCDRN CC(C)(C)[C@@H](Cn1ccnc1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000876956086 623754020 /nfs/dbraw/zinc/75/40/20/623754020.db2.gz GHTWHLYYAMKNOG-CYBMUJFWSA-N 0 0 309.360 3.071 20 10 DGCDRN CC[C@@]1(O)CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000779335240 623760858 /nfs/dbraw/zinc/76/08/58/623760858.db2.gz GQBLOCSLGGIEOA-LJQANCHMSA-N 0 0 312.413 3.081 20 10 DGCDRN CC[C@]1(O)CCN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000779339929 623761159 /nfs/dbraw/zinc/76/11/59/623761159.db2.gz PVXYBRIGZGQBGF-KRWDZBQOSA-N 0 0 318.442 3.143 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(N2CCCC2)c1 ZINC000779479654 623774168 /nfs/dbraw/zinc/77/41/68/623774168.db2.gz MGSPOZPQUXDLLI-VQHVLOKHSA-N 0 0 324.380 3.350 20 10 DGCDRN CCN(Cc1ccc(C)cc1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779500613 623775044 /nfs/dbraw/zinc/77/50/44/623775044.db2.gz RNDFTJWRZVZCLU-LUAWRHEFSA-N 0 0 311.381 3.468 20 10 DGCDRN CCc1cccc2c1N(C(=O)/C=C/c1ccc(O)c(O)c1)CC2 ZINC000779506031 623775868 /nfs/dbraw/zinc/77/58/68/623775868.db2.gz MQCGZTSIPJZVCJ-VQHVLOKHSA-N 0 0 309.365 3.263 20 10 DGCDRN Cc1cccc2c1CCN(C(=O)/C=C\c1ccc(O)c(O)c1)C2 ZINC000779512216 623776032 /nfs/dbraw/zinc/77/60/32/623776032.db2.gz OKOLCLDCQKOXLO-VURMDHGXSA-N 0 0 309.365 3.004 20 10 DGCDRN C[C@H](CN(C)C(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC000779513422 623776749 /nfs/dbraw/zinc/77/67/49/623776749.db2.gz HKPYBLGAXCQMQW-RBJHHQRMSA-N 0 0 311.381 3.373 20 10 DGCDRN C[C@H]1Cc2ccccc2N(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000779516821 623776839 /nfs/dbraw/zinc/77/68/39/623776839.db2.gz ZJVZLEMHBVUWKR-XOVSCCBYSA-N 0 0 309.365 3.336 20 10 DGCDRN C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779527188 623777429 /nfs/dbraw/zinc/77/74/29/623777429.db2.gz CNHCIJSXXZVVTK-QZWGFMDZSA-N 0 0 303.402 3.442 20 10 DGCDRN CCOc1ccc(N(CC)C(=O)/C=C\c2cncc(O)c2)cc1 ZINC000779653080 623784572 /nfs/dbraw/zinc/78/45/72/623784572.db2.gz QKXGQLRZSLLUJL-YHYXMXQVSA-N 0 0 312.369 3.252 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)Cc2ccncc2)cc1 ZINC000779645341 623784704 /nfs/dbraw/zinc/78/47/04/623784704.db2.gz GCQNUMUDHXADBH-UHFFFAOYSA-N 0 0 311.429 3.129 20 10 DGCDRN COc1cccc(C(=O)N(C)c2ccc(N)cc2)c1OC(C)C ZINC000877074457 623785002 /nfs/dbraw/zinc/78/50/02/623785002.db2.gz KYAZWFCTJAXOQL-UHFFFAOYSA-N 0 0 314.385 3.341 20 10 DGCDRN Cn1cc([C@@H]([NH2+]Cc2ccc(F)c(F)c2[O-])C(C)(C)C)cn1 ZINC000877075238 623785338 /nfs/dbraw/zinc/78/53/38/623785338.db2.gz AXXHLUMARPMOSJ-OAHLLOKOSA-N 0 0 309.360 3.281 20 10 DGCDRN Cc1ccc(N2CCCC2)c(C(=O)N(C)c2ccc(N)cc2)c1 ZINC000877077310 623785712 /nfs/dbraw/zinc/78/57/12/623785712.db2.gz CGDODBDJCBUKKZ-UHFFFAOYSA-N 0 0 309.413 3.454 20 10 DGCDRN CN(C(=O)C1C[C@H]2CCCC[C@@H](C1)C2=O)c1ccc(N)cc1 ZINC000877077085 623785796 /nfs/dbraw/zinc/78/57/96/623785796.db2.gz WJCAMXONQAIVNG-PBWFPOADSA-N 0 0 300.402 3.017 20 10 DGCDRN C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N(C)c2ccc(N)cc2)c1 ZINC000877080950 623786352 /nfs/dbraw/zinc/78/63/52/623786352.db2.gz SAKTUEGIZICLLN-YVEFUNNKSA-N 0 0 323.396 3.140 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@H](O)c1cccc(F)c1 ZINC000877083747 623787325 /nfs/dbraw/zinc/78/73/25/623787325.db2.gz PEQRWFUGZWOMLJ-VFZGTOFNSA-N 0 0 311.303 3.021 20 10 DGCDRN C[C@H](O)C[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])c1ccccc1 ZINC000877093586 623789615 /nfs/dbraw/zinc/78/96/15/623789615.db2.gz JYNJSBMSAXFILB-WFASDCNBSA-N 0 0 321.367 3.315 20 10 DGCDRN C[C@H](C[C@H](O)c1ccccc1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877127229 623797906 /nfs/dbraw/zinc/79/79/06/623797906.db2.gz BYHHIKSNWVXAEE-ABAIWWIYSA-N 0 0 307.340 3.272 20 10 DGCDRN [O-]c1c(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)ccc(F)c1F ZINC000877129442 623798976 /nfs/dbraw/zinc/79/89/76/623798976.db2.gz MEPLVICEUODXGF-SUNKGSAMSA-N 0 0 317.426 3.140 20 10 DGCDRN O=[N+]([O-])c1c(F)cccc1NNC(=S)Nc1ccc(F)cc1 ZINC000790608509 625677064 /nfs/dbraw/zinc/67/70/64/625677064.db2.gz MNJUMKFZHGBUDU-UHFFFAOYSA-N 0 0 324.312 3.187 20 10 DGCDRN COc1cccc2c1OCCC[C@@H]2NC(=O)C1=CC(=O)CS1 ZINC000882260364 625677590 /nfs/dbraw/zinc/67/75/90/625677590.db2.gz GEQCPOJQTVJPKL-LBPRGKRZSA-N 0 0 319.382 3.106 20 10 DGCDRN COc1cc(N(C)Cc2cccc(F)c2N)cc(OC)c1OC ZINC000877179433 623819335 /nfs/dbraw/zinc/81/93/35/623819335.db2.gz AKGZMWFAAOCXDU-UHFFFAOYSA-N 0 0 320.364 3.070 20 10 DGCDRN COc1ccc(N(C)C[C@@H](OC)C2CCOCC2)cc1Cl ZINC000877182253 623819404 /nfs/dbraw/zinc/81/94/04/623819404.db2.gz WQZGHDPJVRBNEV-MRXNPFEDSA-N 0 0 313.825 3.226 20 10 DGCDRN COc1c(C)cnc(C[N@H+](C)Cc2ccc(F)c(F)c2[O-])c1C ZINC000877319804 623851383 /nfs/dbraw/zinc/85/13/83/623851383.db2.gz KPYXAVXALJCTST-UHFFFAOYSA-N 0 0 322.355 3.323 20 10 DGCDRN COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])CCO2 ZINC000877391547 623865790 /nfs/dbraw/zinc/86/57/90/623865790.db2.gz CPNGUUDYOGFORW-AWEZNQCLSA-N 0 0 321.323 3.292 20 10 DGCDRN C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(F)c(F)c1[O-] ZINC000877515094 623918542 /nfs/dbraw/zinc/91/85/42/623918542.db2.gz UKYMKOYENZPCSS-UHFFFAOYSA-N 0 0 322.311 3.253 20 10 DGCDRN Cc1ccc(CN[C@@H](C)c2ncc(Br)cn2)c(O)c1 ZINC000877549941 623936885 /nfs/dbraw/zinc/93/68/85/623936885.db2.gz SIMVQJMXQCNMEE-JTQLQIEISA-N 0 0 322.206 3.104 20 10 DGCDRN C[C@H](O)[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccccc1F ZINC000877611747 623961710 /nfs/dbraw/zinc/96/17/10/623961710.db2.gz ZAXYVPRNGBDDCP-BJOHPYRUSA-N 0 0 311.303 3.021 20 10 DGCDRN COc1cc(C)ccc1C(=O)NCCCSc1nccs1 ZINC000780680457 623969375 /nfs/dbraw/zinc/96/93/75/623969375.db2.gz GJNPGHSNXSGVRX-UHFFFAOYSA-N 0 0 322.455 3.372 20 10 DGCDRN CC[C@H]1C[C@@H](CN(C)c2cc(OC)c(OC)c(OC)c2)CCO1 ZINC000780775260 623982502 /nfs/dbraw/zinc/98/25/02/623982502.db2.gz SUQXLKJCOMEBBZ-ZFWWWQNUSA-N 0 0 323.433 3.354 20 10 DGCDRN Cc1nc2c(s1)[C@@H](NC(=O)NCc1ccccc1O)CCC2 ZINC000780829645 623988933 /nfs/dbraw/zinc/98/89/33/623988933.db2.gz ZFWNYMIAQZXRSI-ZDUSSCGKSA-N 0 0 317.414 3.034 20 10 DGCDRN CCCOc1ccc(CNCc2cc(C(=O)OC)co2)cc1C ZINC000877699686 623996115 /nfs/dbraw/zinc/99/61/15/623996115.db2.gz BQPWHXWAUYXRPC-UHFFFAOYSA-N 0 0 317.385 3.453 20 10 DGCDRN COc1cc(F)c(CN2Cc3cccc(O)c3C2)cc1OC ZINC000877702527 623997401 /nfs/dbraw/zinc/99/74/01/623997401.db2.gz AFNUGEXQKQBLDZ-UHFFFAOYSA-N 0 0 303.333 3.064 20 10 DGCDRN Oc1cccc2c1CN(Cc1ncc(C(F)(F)F)s1)C2 ZINC000877703114 623998816 /nfs/dbraw/zinc/99/88/16/623998816.db2.gz RWUVEZSGROBIRJ-UHFFFAOYSA-N 0 0 300.305 3.383 20 10 DGCDRN Cc1ccc(CC[C@@H](C)NC(=O)c2ccc(C)c(O)c2O)o1 ZINC000780954017 624003833 /nfs/dbraw/zinc/00/38/33/624003833.db2.gz LKOJEQRQHBMGLT-LLVKDONJSA-N 0 0 303.358 3.059 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@]2(C)CCCOC2)cc1 ZINC000781112803 624024184 /nfs/dbraw/zinc/02/41/84/624024184.db2.gz GCBBSYMZNSMERB-LJQANCHMSA-N 0 0 318.461 3.308 20 10 DGCDRN Cc1cc(O)c([C@@H]2NC(C)(C)C(=O)N2CC(C)(C)C)cc1C ZINC000877856593 624070105 /nfs/dbraw/zinc/07/01/05/624070105.db2.gz FNUODKOPPJBZCK-OAHLLOKOSA-N 0 0 304.434 3.264 20 10 DGCDRN CCCCCN1CC(=O)N[C@@H]1c1ccc(N(CC)CC)c(F)c1 ZINC000877854363 624070317 /nfs/dbraw/zinc/07/03/17/624070317.db2.gz QCEVJQILOYTORO-SFHVURJKSA-N 0 0 321.440 3.293 20 10 DGCDRN O=C1N(c2ccccc2)[C@@H](c2cc(Cl)ccc2O)NC12CC2 ZINC000877857618 624071414 /nfs/dbraw/zinc/07/14/14/624071414.db2.gz WFLLAPRDQYVBJT-HNNXBMFYSA-N 0 0 314.772 3.213 20 10 DGCDRN CCC[C@@](C)(CO)[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000781631407 624109937 /nfs/dbraw/zinc/10/99/37/624109937.db2.gz JQSLDCUDKKYAGU-AWEZNQCLSA-N 0 0 316.239 3.104 20 10 DGCDRN CC[C@H]1CN(Cc2cc(C)cc(Br)c2O)CCO1 ZINC000781896692 624166847 /nfs/dbraw/zinc/16/68/47/624166847.db2.gz MHZLNPLZXSLCOL-LBPRGKRZSA-N 0 0 314.223 3.074 20 10 DGCDRN Cc1cc(Br)c(O)c(CN2CCC(F)(F)C2)c1 ZINC000781921124 624171674 /nfs/dbraw/zinc/17/16/74/624171674.db2.gz SQGPYCLPZPZTMK-UHFFFAOYSA-N 0 0 306.150 3.304 20 10 DGCDRN O=C(NCCCSc1nccs1)c1csc(Cl)n1 ZINC000781929523 624172994 /nfs/dbraw/zinc/17/29/94/624172994.db2.gz LQVDSZIOLLBATG-UHFFFAOYSA-N 0 0 319.864 3.165 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cnc(C2CC2)o1 ZINC000878219317 624219223 /nfs/dbraw/zinc/21/92/23/624219223.db2.gz JHFAPJUJZXQLTA-UHFFFAOYSA-N 0 0 311.385 3.082 20 10 DGCDRN CCOC(=O)c1cccc(CN(CC)c2ccc(OC)cc2)n1 ZINC000878218853 624219390 /nfs/dbraw/zinc/21/93/90/624219390.db2.gz AKYKDXBKHWIYLV-UHFFFAOYSA-N 0 0 314.385 3.293 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C\c1scnc1C1CC1 ZINC000782304465 624236567 /nfs/dbraw/zinc/23/65/67/624236567.db2.gz CDABDBMLIZCWMN-WQLSENKSSA-N 0 0 319.455 3.477 20 10 DGCDRN CCN1C(=O)/C(=C\c2cccc3cnccc23)SC1=S ZINC000782880136 624287082 /nfs/dbraw/zinc/28/70/82/624287082.db2.gz KJGQJDFNPSHSDA-MDWZMJQESA-N 0 0 300.408 3.456 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CC[C@H]2CC(C)(C)CO2)cc1F ZINC000878532881 624300297 /nfs/dbraw/zinc/30/02/97/624300297.db2.gz ZKFJNHUMKHFBRG-AWEZNQCLSA-N 0 0 322.424 3.103 20 10 DGCDRN C[C@@H](NC(=O)Nc1nc(C(C)(C)C)ns1)c1ccccc1O ZINC000878591876 624315873 /nfs/dbraw/zinc/31/58/73/624315873.db2.gz QIFXZCAZZBMQCL-SECBINFHSA-N 0 0 320.418 3.424 20 10 DGCDRN c1c[nH]c([C@H](NCc2ccc3c(c2)CCO3)c2ccccc2)n1 ZINC000783238892 624329140 /nfs/dbraw/zinc/32/91/40/624329140.db2.gz UQLJTLXHMNVDMW-GOSISDBHSA-N 0 0 305.381 3.224 20 10 DGCDRN COc1cccc(CNC(=O)CC(C)(C)CC(F)F)c1O ZINC000878666476 624335835 /nfs/dbraw/zinc/33/58/35/624335835.db2.gz BWSVTDODYHNVIO-UHFFFAOYSA-N 0 0 301.333 3.089 20 10 DGCDRN COc1cnccc1[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000783331292 624338169 /nfs/dbraw/zinc/33/81/69/624338169.db2.gz PJKFWSUUGNSRRU-QWRGUYRKSA-N 0 0 317.345 3.116 20 10 DGCDRN O=C(COC(=O)c1ccc(C(F)F)cc1)c1ccc(O)c(O)c1 ZINC000783379924 624341978 /nfs/dbraw/zinc/34/19/78/624341978.db2.gz WUINGYLVADHAMM-UHFFFAOYSA-N 0 0 322.263 3.075 20 10 DGCDRN COc1ccc2c(c1)CCN2Cc1ccnn1-c1ccccc1 ZINC000790902239 625714337 /nfs/dbraw/zinc/71/43/37/625714337.db2.gz SXNGEKBWABHENL-UHFFFAOYSA-N 0 0 305.381 3.444 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](O)C2CCCCC2)cc1 ZINC000783563105 624366776 /nfs/dbraw/zinc/36/67/76/624366776.db2.gz QPRYADQOMBJRSN-SFHVURJKSA-N 0 0 318.461 3.090 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)C[C@H](C)O ZINC000783630838 624377198 /nfs/dbraw/zinc/37/71/98/624377198.db2.gz KZURZIXLLWKUJX-MFKMUULPSA-N 0 0 306.431 3.045 20 10 DGCDRN COc1ccc(NC(=O)c2cccc(O)c2O)cc1OC(C)C ZINC000790931321 625717289 /nfs/dbraw/zinc/71/72/89/625717289.db2.gz NVARJOILKHCXFM-UHFFFAOYSA-N 0 0 317.341 3.146 20 10 DGCDRN CCCCCC(C)(C)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784068251 624431318 /nfs/dbraw/zinc/43/13/18/624431318.db2.gz VOVMEDOPEVLQRP-UHFFFAOYSA-N 0 0 308.374 3.430 20 10 DGCDRN CC(C)CC1(C(=O)OCC(=O)c2ccc(O)c(O)c2)CCCC1 ZINC000784086299 624435759 /nfs/dbraw/zinc/43/57/59/624435759.db2.gz UJVRSPILTWTKIR-UHFFFAOYSA-N 0 0 320.385 3.430 20 10 DGCDRN Cc1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)ccc1Cl ZINC000784117619 624440791 /nfs/dbraw/zinc/44/07/91/624440791.db2.gz LZPKQQSVLOJWQO-UHFFFAOYSA-N 0 0 320.728 3.099 20 10 DGCDRN C[C@@H](NC(=O)Nc1cnn([C@H](C)C2CC2)c1)c1ccccc1O ZINC000879296247 624489723 /nfs/dbraw/zinc/48/97/23/624489723.db2.gz IKWWUNGDHRQPSL-VXGBXAGGSA-N 0 0 314.389 3.442 20 10 DGCDRN CCCCCCC(=O)COC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000784236386 624459814 /nfs/dbraw/zinc/45/98/14/624459814.db2.gz FKRBOHOXTJCAEV-CSKARUKUSA-N 0 0 306.358 3.194 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@]2(C)CCO[C@H]2C)cc1 ZINC000784243210 624461900 /nfs/dbraw/zinc/46/19/00/624461900.db2.gz WACDAYVWMDUHJY-KXBFYZLASA-N 0 0 312.413 3.391 20 10 DGCDRN COc1ccc(N2CCN(c3nc(Cl)cs3)CC2)cc1 ZINC000127605711 624467110 /nfs/dbraw/zinc/46/71/10/624467110.db2.gz XRGJSYPNYOISSW-UHFFFAOYSA-N 0 0 309.822 3.132 20 10 DGCDRN C[C@@H](N[C@@H](C)c1ccccc1O)c1nnnn1C1CCCCC1 ZINC000879650449 624624225 /nfs/dbraw/zinc/62/42/25/624624225.db2.gz ALHNYWBWHKSHDM-QWHCGFSZSA-N 0 0 315.421 3.296 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCC(C)(C)O2)cc1F ZINC000785079220 624629934 /nfs/dbraw/zinc/62/99/34/624629934.db2.gz XFLVGALFIVFEFR-MRXNPFEDSA-N 0 0 322.424 3.246 20 10 DGCDRN O=C(C[C@@H]1C[C@H]1C1CC1)NCc1cccc(Br)c1O ZINC000879773921 624672345 /nfs/dbraw/zinc/67/23/45/624672345.db2.gz BIWQGUZBPKGMMO-RYUDHWBXSA-N 0 0 324.218 3.207 20 10 DGCDRN O=C(C[C@@H]1C[C@H]1C1CC1)NCc1cc(Br)ccc1O ZINC000879965913 624738594 /nfs/dbraw/zinc/73/85/94/624738594.db2.gz VHIKLLKERWBQLJ-GWCFXTLKSA-N 0 0 324.218 3.207 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@H]2CCCC(C)(C)C2)c1 ZINC000785873627 624747888 /nfs/dbraw/zinc/74/78/88/624747888.db2.gz UYFYBDDIOYSQLA-ZDUSSCGKSA-N 0 0 306.406 3.169 20 10 DGCDRN COc1cccc(CNC(=O)N[C@@H]2CCCC(C)(C)C2)c1O ZINC000785906781 624754036 /nfs/dbraw/zinc/75/40/36/624754036.db2.gz NLVOHYAORYANOJ-CYBMUJFWSA-N 0 0 306.406 3.169 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC3(CCC3)C2)cc1 ZINC000128145312 624756992 /nfs/dbraw/zinc/75/69/92/624756992.db2.gz KMANGVDMRULVNC-UHFFFAOYSA-N 0 0 324.424 3.489 20 10 DGCDRN CCn1c(-c2ccccc2)nnc1N(C)Cc1ccccc1O ZINC000786792483 624954446 /nfs/dbraw/zinc/95/44/46/624954446.db2.gz CLJWSDCWZYEXJW-UHFFFAOYSA-N 0 0 308.385 3.307 20 10 DGCDRN C[C@H]1CCCC[C@H]1N(C)C(=O)COc1ccc(N(C)C)cc1 ZINC000786876305 624959994 /nfs/dbraw/zinc/95/99/94/624959994.db2.gz KWSWXNPTIQQANP-WMLDXEAASA-N 0 0 304.434 3.169 20 10 DGCDRN COc1ccc(O)c([C@H](C)Nc2ccc3ccc(=O)n(C)c3c2)c1 ZINC000786942412 624966522 /nfs/dbraw/zinc/96/65/22/624966522.db2.gz VSJNABOQHKLKNX-LBPRGKRZSA-N 0 0 324.380 3.426 20 10 DGCDRN CC(=Cc1cccc([N+](=O)[O-])c1)C=C1SC(=S)NC1=O ZINC000787166550 624984732 /nfs/dbraw/zinc/98/47/32/624984732.db2.gz ATXFFAWOTQUQJJ-CZDIAPPSSA-N 0 0 306.368 3.030 20 10 DGCDRN COC(C)(C)CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000787259975 624992710 /nfs/dbraw/zinc/99/27/10/624992710.db2.gz MKCCREFCAXAPFW-MRXNPFEDSA-N 0 0 307.434 3.188 20 10 DGCDRN CC[C@H](NC(=O)N[C@H](C)c1cc(OC)ccc1O)C(F)(F)F ZINC000787310854 624999440 /nfs/dbraw/zinc/99/94/40/624999440.db2.gz SFJVWNJXGFHSNB-PELKAZGASA-N 0 0 320.311 3.102 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)CCC(C)(C)O)cc2)CC1 ZINC000787331400 625001290 /nfs/dbraw/zinc/00/12/90/625001290.db2.gz KAZSQDWSWMFCGC-UHFFFAOYSA-N 0 0 318.461 3.090 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2cscc2C)c1 ZINC000787340581 625002448 /nfs/dbraw/zinc/00/24/48/625002448.db2.gz HLWRJPBSEOBGSH-NSHDSACASA-N 0 0 320.414 3.331 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ncc(OC)s1 ZINC000787791301 625053869 /nfs/dbraw/zinc/05/38/69/625053869.db2.gz AXJKWYMJWQPOSJ-UHFFFAOYSA-N 0 0 321.402 3.301 20 10 DGCDRN CCNC(=O)Nc1ccc(C)c(NC(=O)C2=CC(=O)CS2)c1 ZINC000787928291 625074969 /nfs/dbraw/zinc/07/49/69/625074969.db2.gz FXUDVCQURPXYHV-UHFFFAOYSA-N 0 0 319.386 3.156 20 10 DGCDRN Cn1nc(-c2ccsc2)cc1NC(=O)C1=CC(=O)CS1 ZINC000787928502 625075394 /nfs/dbraw/zinc/07/53/94/625075394.db2.gz VJSPMLJGKYLKQH-UHFFFAOYSA-N 0 0 305.384 3.168 20 10 DGCDRN CC(C)[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1ccnn1C ZINC000788258783 625105404 /nfs/dbraw/zinc/10/54/04/625105404.db2.gz IWXVWLPOVCYDNC-FZMZJTMJSA-N 0 0 323.387 3.494 20 10 DGCDRN CC(C)[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1ccnn1C ZINC000788258791 625108271 /nfs/dbraw/zinc/10/82/71/625108271.db2.gz IWXVWLPOVCYDNC-SMDDNHRTSA-N 0 0 323.387 3.494 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](CC)[C@H]1CCCO1 ZINC000128802975 625245567 /nfs/dbraw/zinc/24/55/67/625245567.db2.gz IFJYJRMRMWMMNW-NVXWUHKLSA-N 0 0 320.433 3.271 20 10 DGCDRN Cc1nnc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])s1 ZINC000788736527 625255559 /nfs/dbraw/zinc/25/55/59/625255559.db2.gz VMCSFUDHXKPVOJ-SSDOTTSWSA-N 0 0 317.336 3.422 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CCCOC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788777026 625264168 /nfs/dbraw/zinc/26/41/68/625264168.db2.gz RVBSYBJTGSJRGF-WDEREUQCSA-N 0 0 303.324 3.488 20 10 DGCDRN C[C@@H]([NH2+]CC1(C)OCCCO1)c1cccc(C(F)(F)F)c1[O-] ZINC000788783731 625264585 /nfs/dbraw/zinc/26/45/85/625264585.db2.gz NVMVHACNPJQCRQ-SNVBAGLBSA-N 0 0 319.323 3.215 20 10 DGCDRN Cc1cc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])n(C)n1 ZINC000788815519 625274112 /nfs/dbraw/zinc/27/41/12/625274112.db2.gz CJIIDFNBRGUZII-SNVBAGLBSA-N 0 0 313.323 3.304 20 10 DGCDRN CCOC[C@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000788834733 625278986 /nfs/dbraw/zinc/27/89/86/625278986.db2.gz YCHKGLAAEASJPN-YOEHRIQHSA-N 0 0 321.465 3.174 20 10 DGCDRN CN(C)C1(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CCCC1 ZINC000790947595 625720546 /nfs/dbraw/zinc/72/05/46/625720546.db2.gz TXEWPQVSZOBIPW-UHFFFAOYSA-N 0 0 300.805 3.149 20 10 DGCDRN Cc1ccn2cc(C[NH2+]Cc3c([O-])ccc(Cl)c3F)nc2c1 ZINC000790959995 625723376 /nfs/dbraw/zinc/72/33/76/625723376.db2.gz QZQYTSLOGNOAJV-UHFFFAOYSA-N 0 0 319.767 3.431 20 10 DGCDRN Cc1ncc2c(n1)CCC[C@H]2[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790966286 625724541 /nfs/dbraw/zinc/72/45/41/625724541.db2.gz HYBBFXVZASLFKH-CYBMUJFWSA-N 0 0 321.783 3.450 20 10 DGCDRN C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790966409 625724558 /nfs/dbraw/zinc/72/45/58/625724558.db2.gz OJGXXLPPQSDWMW-ABAIWWIYSA-N 0 0 323.795 3.439 20 10 DGCDRN CCOC(CC[NH2+]Cc1c([O-])ccc(Cl)c1F)OCC ZINC000790990909 625732209 /nfs/dbraw/zinc/73/22/09/625732209.db2.gz HBOAGAZIKIWKAE-UHFFFAOYSA-N 0 0 305.777 3.064 20 10 DGCDRN CO[C@@H]1CCOc2c(NC(=O)C3=CC(=O)CS3)cccc21 ZINC000791096711 625750893 /nfs/dbraw/zinc/75/08/93/625750893.db2.gz MBPLEODSRNFNMJ-GFCCVEGCSA-N 0 0 305.355 3.176 20 10 DGCDRN Cc1nc2cc(C(=O)NCc3ccc(N(C)C)cc3)ccc2o1 ZINC000791477248 625809308 /nfs/dbraw/zinc/80/93/08/625809308.db2.gz DTVVPXRBICRSGQ-UHFFFAOYSA-N 0 0 309.369 3.132 20 10 DGCDRN CCN1C(=O)c2ccccc2N[C@@H]1c1ccc2c(c1)CCN2C ZINC000130182343 625823169 /nfs/dbraw/zinc/82/31/69/625823169.db2.gz DOPWGSBAMHEXJG-SFHVURJKSA-N 0 0 307.397 3.265 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1Cc2ccccc2N2CCC[C@H]2C1 ZINC000882821137 625827348 /nfs/dbraw/zinc/82/73/48/625827348.db2.gz MFIAHFZOGPCTNS-ZDUSSCGKSA-N 0 0 314.410 3.079 20 10 DGCDRN COc1ccc(OC)c(CC[NH2+]Cc2cc(F)cc(F)c2[O-])c1 ZINC000882932012 625864761 /nfs/dbraw/zinc/86/47/61/625864761.db2.gz XZDBFAGUIVFZKT-UHFFFAOYSA-N 0 0 323.339 3.020 20 10 DGCDRN COc1ccc(CC[NH2+]Cc2cc(F)cc(F)c2[O-])cc1F ZINC000882970427 625878884 /nfs/dbraw/zinc/87/88/84/625878884.db2.gz CEZPYSHPSQYEDX-UHFFFAOYSA-N 0 0 311.303 3.150 20 10 DGCDRN C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882978757 625882481 /nfs/dbraw/zinc/88/24/81/625882481.db2.gz AUOLLVNJZSRPPV-NSHDSACASA-N 0 0 307.340 3.487 20 10 DGCDRN CCN(C)c1ccccc1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882988454 625887261 /nfs/dbraw/zinc/88/72/61/625887261.db2.gz QIPFYSPNGCJZDX-UHFFFAOYSA-N 0 0 306.356 3.416 20 10 DGCDRN COC[C@@H](Cc1ccccc1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883027921 625902032 /nfs/dbraw/zinc/90/20/32/625902032.db2.gz UGJJGIUQHSWRJV-OAHLLOKOSA-N 0 0 307.340 3.018 20 10 DGCDRN Cc1cnc(=S)n(CN(C)Cc2ccc(N(C)C)cc2)c1 ZINC000130816236 625907385 /nfs/dbraw/zinc/90/73/85/625907385.db2.gz QUCDJUJQISSHTQ-UHFFFAOYSA-N 0 0 302.447 3.077 20 10 DGCDRN COc1ccc2c(c1)CCN2Cc1nccn1-c1ccccc1 ZINC000792161365 625917765 /nfs/dbraw/zinc/91/77/65/625917765.db2.gz FTTXDTFGESSRED-UHFFFAOYSA-N 0 0 305.381 3.444 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCC(C)(C)CC(F)F)cc1 ZINC000883077251 625918090 /nfs/dbraw/zinc/91/80/90/625918090.db2.gz DKYYOQVJWJLDHG-UHFFFAOYSA-N 0 0 313.392 3.233 20 10 DGCDRN CC(C)(C)[C@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C[C@@H]1O ZINC000792174126 625919203 /nfs/dbraw/zinc/91/92/03/625919203.db2.gz LRHISUKEEXDZRQ-FZMZJTMJSA-N 0 0 315.816 3.414 20 10 DGCDRN CC(C)(C)[C@@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C[C@H]1O ZINC000792174125 625919259 /nfs/dbraw/zinc/91/92/59/625919259.db2.gz LRHISUKEEXDZRQ-BXUZGUMPSA-N 0 0 315.816 3.414 20 10 DGCDRN CCCCn1cc(C[NH2+]Cc2cc(F)cc(F)c2[O-])c(C)n1 ZINC000883081543 625919870 /nfs/dbraw/zinc/91/98/70/625919870.db2.gz HUWQGDZWJNZARZ-UHFFFAOYSA-N 0 0 309.360 3.265 20 10 DGCDRN COC[C@@H]1CCCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792175664 625920686 /nfs/dbraw/zinc/92/06/86/625920686.db2.gz XOKYGTNCZZDMPQ-LLVKDONJSA-N 0 0 301.789 3.433 20 10 DGCDRN C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000792180736 625921945 /nfs/dbraw/zinc/92/19/45/625921945.db2.gz STIBFZZSQQDHII-BREBYQMCSA-N 0 0 301.789 3.166 20 10 DGCDRN CCN(C(C)=O)c1ccc(NCc2cc(F)cc(F)c2O)cn1 ZINC000883166989 625950187 /nfs/dbraw/zinc/95/01/87/625950187.db2.gz NIQDFTRSPMHPLE-UHFFFAOYSA-N 0 0 321.327 3.050 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000883180430 625957276 /nfs/dbraw/zinc/95/72/76/625957276.db2.gz CJQASOLDAUMDJB-VNQPRFMTSA-N 0 0 305.299 3.237 20 10 DGCDRN C[C@H](NCc1ncc(CN(C)C)s1)c1ccc(N(C)C)cc1 ZINC000796351076 626041373 /nfs/dbraw/zinc/04/13/73/626041373.db2.gz DUXCMCRKKYHGIO-ZDUSSCGKSA-N 0 0 318.490 3.122 20 10 DGCDRN COC(=O)C(C)(C)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000796453137 626051994 /nfs/dbraw/zinc/05/19/94/626051994.db2.gz DWOUZCMCLQWCIN-UHFFFAOYSA-N 0 0 320.216 3.378 20 10 DGCDRN CCC[C@]1([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCOC1 ZINC000796482457 626055221 /nfs/dbraw/zinc/05/52/21/626055221.db2.gz MVJZHHUYJWYUOG-AWEZNQCLSA-N 0 0 314.769 3.003 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCC3(CCC3)CC2)cc1 ZINC000796623485 626066752 /nfs/dbraw/zinc/06/67/52/626066752.db2.gz JZGGVOLLNTTYLL-UHFFFAOYSA-N 0 0 301.434 3.228 20 10 DGCDRN CC[C@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1ccc(F)cc1[O-] ZINC000796841338 626088713 /nfs/dbraw/zinc/08/87/13/626088713.db2.gz SDYRSYRVOVXJRB-HKUYNNGSSA-N 0 0 315.388 3.406 20 10 DGCDRN CC[C@H]([NH2+]CCc1ccc(CO)cc1)c1ccc(F)cc1[O-] ZINC000796855890 626090717 /nfs/dbraw/zinc/09/07/17/626090717.db2.gz RPJFTIRPXMUOJA-KRWDZBQOSA-N 0 0 303.377 3.307 20 10 DGCDRN CC1=C[C@@H](C)CN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000797440994 626143362 /nfs/dbraw/zinc/14/33/62/626143362.db2.gz KTSFCAMWJKETBY-CQSZACIVSA-N 0 0 313.445 3.177 20 10 DGCDRN COc1cccc(CNC(=O)NC[C@@H]2CCC[C@H](C)[C@@H]2C)c1O ZINC000797541622 626151972 /nfs/dbraw/zinc/15/19/72/626151972.db2.gz HMJILZNEKUFLIQ-IHRRRGAJSA-N 0 0 320.433 3.272 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000797579201 626154362 /nfs/dbraw/zinc/15/43/62/626154362.db2.gz ZAZLDNUHRWBYGH-DLBZAZTESA-N 0 0 301.434 3.083 20 10 DGCDRN COc1ccc(CNC(=O)Nc2cnc(Cl)cc2C)c(O)c1 ZINC000797635994 626161283 /nfs/dbraw/zinc/16/12/83/626161283.db2.gz OPMCJCUFJQKCGF-UHFFFAOYSA-N 0 0 321.764 3.079 20 10 DGCDRN COc1ccc(CNC(=O)Nc2cc(C)cnc2Cl)c(O)c1 ZINC000797649163 626162064 /nfs/dbraw/zinc/16/20/64/626162064.db2.gz ZHIBCQMHCRKSKU-UHFFFAOYSA-N 0 0 321.764 3.079 20 10 DGCDRN CC[C@@H]1C[C@H]1NC(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000798062795 626191859 /nfs/dbraw/zinc/19/18/59/626191859.db2.gz JYINEWPSEJOPPL-UKRRQHHQSA-N 0 0 307.413 3.270 20 10 DGCDRN CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000798089384 626193434 /nfs/dbraw/zinc/19/34/34/626193434.db2.gz TUSQLBMGXXKRFP-ZJUUUORDSA-N 0 0 315.772 3.006 20 10 DGCDRN COC(=O)c1ccc(COc2ccc(N(C)C)cc2)cc1F ZINC000798219918 626202992 /nfs/dbraw/zinc/20/29/92/626202992.db2.gz QHMZBHXOEYMYOR-UHFFFAOYSA-N 0 0 303.333 3.257 20 10 DGCDRN C[C@H]1CCC[C@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000798420244 626217452 /nfs/dbraw/zinc/21/74/52/626217452.db2.gz MTWBNPOLJQOLCL-RDJZCZTQSA-N 0 0 313.445 3.298 20 10 DGCDRN Cc1ccncc1N1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000798962335 626263230 /nfs/dbraw/zinc/26/32/30/626263230.db2.gz PJINTFNWJOHOSU-UHFFFAOYSA-N 0 0 317.820 3.071 20 10 DGCDRN CN(C)Cc1cc(NC(=O)c2cccc(O)c2O)ccc1Cl ZINC000799057365 626268896 /nfs/dbraw/zinc/26/88/96/626268896.db2.gz PLNVNCIZTVDCTI-UHFFFAOYSA-N 0 0 320.776 3.065 20 10 DGCDRN COc1ccc(N(CCC(C)C)Cc2nc(N(C)C)no2)cc1 ZINC000799169862 626277335 /nfs/dbraw/zinc/27/73/35/626277335.db2.gz PWLDJAGRQWLOKK-UHFFFAOYSA-N 0 0 318.421 3.197 20 10 DGCDRN C[C@@H](NC(=O)Nc1cncc(F)c1)c1ccc(N(C)C)cc1 ZINC000799234290 626283165 /nfs/dbraw/zinc/28/31/65/626283165.db2.gz PWRALECVNZCDBB-LLVKDONJSA-N 0 0 302.353 3.169 20 10 DGCDRN CN(C)c1ccc(CN(C)Cc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000799729897 626325382 /nfs/dbraw/zinc/32/53/82/626325382.db2.gz ZFRSWVHMOAUXMJ-UHFFFAOYSA-N 0 0 312.339 3.127 20 10 DGCDRN C[C@@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000799732129 626325746 /nfs/dbraw/zinc/32/57/46/626325746.db2.gz VKAAVDOJNYLGSX-DOMZBBRYSA-N 0 0 321.367 3.315 20 10 DGCDRN CNC(=S)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000799898857 626334562 /nfs/dbraw/zinc/33/45/62/626334562.db2.gz WZRMPKKQDZYXTO-LLVKDONJSA-N 0 0 311.882 3.170 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)c1 ZINC000800288096 626349024 /nfs/dbraw/zinc/34/90/24/626349024.db2.gz GOUMBIUMWLBDDJ-CQSZACIVSA-N 0 0 318.760 3.211 20 10 DGCDRN C[C@@H]1C[C@H](C)[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)O1 ZINC000800328536 626352246 /nfs/dbraw/zinc/35/22/46/626352246.db2.gz OJZHBPOZCUVPRO-HDMKZQKVSA-N 0 0 316.445 3.107 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCC(F)(F)C2)c1 ZINC000800519784 626365983 /nfs/dbraw/zinc/36/59/83/626365983.db2.gz VNNNTAZDOCPPBC-GHMZBOCLSA-N 0 0 313.344 3.404 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c(C)[nH]1 ZINC000839914607 626369696 /nfs/dbraw/zinc/36/96/96/626369696.db2.gz AILTVVCBKPUUFE-ZDUSSCGKSA-N 0 0 313.445 3.367 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCC(F)(F)F ZINC000839917508 626370475 /nfs/dbraw/zinc/37/04/75/626370475.db2.gz FERFBUDXAUHXCQ-GFCCVEGCSA-N 0 0 316.367 3.451 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1=C(C)OCCC1 ZINC000839918510 626371251 /nfs/dbraw/zinc/37/12/51/626371251.db2.gz AJOHSWDZECBTLK-CQSZACIVSA-N 0 0 316.445 3.193 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1CCCS1 ZINC000839918082 626371314 /nfs/dbraw/zinc/37/13/14/626371314.db2.gz JMXQIWMQPVJFKZ-CJNGLKHVSA-N 0 0 306.475 3.004 20 10 DGCDRN CCSCCCNC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000800731482 626372982 /nfs/dbraw/zinc/37/29/82/626372982.db2.gz HGSXDXYAKGSJCV-UHFFFAOYSA-N 0 0 323.506 3.427 20 10 DGCDRN COCCC[C@@H](C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839920208 626373163 /nfs/dbraw/zinc/37/31/63/626373163.db2.gz NHXXSYXIVXFFGG-GDBMZVCRSA-N 0 0 320.477 3.171 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CCc1ccoc1 ZINC000839920194 626373260 /nfs/dbraw/zinc/37/32/60/626373260.db2.gz NDWSYGJNFLWYSH-HNNXBMFYSA-N 0 0 314.429 3.334 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cccnc1C ZINC000839919960 626373420 /nfs/dbraw/zinc/37/34/20/626373420.db2.gz YHSASCYWVYBRMP-AWEZNQCLSA-N 0 0 311.429 3.125 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@]1(C)CCCCO1 ZINC000839921318 626373929 /nfs/dbraw/zinc/37/39/29/626373929.db2.gz CHKIEOCDLBUWDZ-KXBFYZLASA-N 0 0 318.461 3.067 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)ccn1 ZINC000839921359 626374180 /nfs/dbraw/zinc/37/41/80/626374180.db2.gz JPSOSHZAHWIPTK-OAHLLOKOSA-N 0 0 311.429 3.125 20 10 DGCDRN CCN(CC)c1ccc(CN=c2nc[nH]n2C(C)(C)C)cc1F ZINC000800814895 626376557 /nfs/dbraw/zinc/37/65/57/626376557.db2.gz CSHCHKRRNXGMSH-UHFFFAOYSA-N 0 0 319.428 3.052 20 10 DGCDRN CO[C@H](C)c1nsc(NCc2ccc(N3CC=CC3)cc2)n1 ZINC000800852557 626379158 /nfs/dbraw/zinc/37/91/58/626379158.db2.gz CNRDFQZFPSLHNS-GFCCVEGCSA-N 0 0 316.430 3.234 20 10 DGCDRN CCCCN(Cc1ccccc1O)c1nc(CCOC)ns1 ZINC000800887038 626382308 /nfs/dbraw/zinc/38/23/08/626382308.db2.gz LWEAUVSCQSEKOD-UHFFFAOYSA-N 0 0 321.446 3.239 20 10 DGCDRN Cc1cc(C(=O)Nc2nccn2C2CC2)c(C)n1-c1ccccn1 ZINC000839933232 626398790 /nfs/dbraw/zinc/39/87/90/626398790.db2.gz OZKOOZHBAGLYSX-UHFFFAOYSA-N 0 0 321.384 3.273 20 10 DGCDRN COc1ccc(CN2CCCc3cc(OC(F)F)ccc32)nn1 ZINC000801522616 626407453 /nfs/dbraw/zinc/40/74/53/626407453.db2.gz WOOIYSBAXLCYKE-UHFFFAOYSA-N 0 0 321.327 3.039 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CSC2(C)C)c1 ZINC000801735292 626416696 /nfs/dbraw/zinc/41/66/96/626416696.db2.gz JDTPXFVEBKWSLK-LLVKDONJSA-N 0 0 316.264 3.447 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)CN1CCSC1=O ZINC000839971260 626564017 /nfs/dbraw/zinc/56/40/17/626564017.db2.gz YGLNGMNPJBGUFE-UHFFFAOYSA-N 0 0 307.463 3.089 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@@H](C)c2ccsc2)ccc1[N+](=O)[O-] ZINC000802654212 626565364 /nfs/dbraw/zinc/56/53/64/626565364.db2.gz FFTZVCNCYRMSOL-VIFPVBQESA-N 0 0 308.359 3.221 20 10 DGCDRN C[C@H](Cn1ccc2ccccc21)C(=O)NCc1ccc(O)c(O)c1 ZINC000802784930 626571822 /nfs/dbraw/zinc/57/18/22/626571822.db2.gz USILAMRCXAOFRG-CYBMUJFWSA-N 0 0 324.380 3.005 20 10 DGCDRN CC(C)(C)OCCCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000802785435 626571920 /nfs/dbraw/zinc/57/19/20/626571920.db2.gz SSLGSNJPZCGYPG-UHFFFAOYSA-N 0 0 319.445 3.483 20 10 DGCDRN CCn1cnnc1NC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000803530678 626622332 /nfs/dbraw/zinc/62/23/32/626622332.db2.gz SIAXCSBQJZHKTA-UHFFFAOYSA-N 0 0 323.400 3.266 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@@H]1c2ccccc2CC[C@@H]1F ZINC000883250115 626624422 /nfs/dbraw/zinc/62/44/22/626624422.db2.gz BKIQIDDMJABHKU-DOTOQJQBSA-N 0 0 314.360 3.217 20 10 DGCDRN C[C@@H]1CC[C@@H](C)N1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000131352673 626627787 /nfs/dbraw/zinc/62/77/87/626627787.db2.gz LCQZPPIYQHBQMU-ZIAGYGMSSA-N 0 0 301.434 3.151 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Cc2ccc(F)c(F)c2)c1 ZINC000131355070 626628304 /nfs/dbraw/zinc/62/83/04/626628304.db2.gz TZEMXYKPAGWXDF-SNVBAGLBSA-N 0 0 321.323 3.099 20 10 DGCDRN C[C@@H](CC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccncc1 ZINC000131492705 626644704 /nfs/dbraw/zinc/64/47/04/626644704.db2.gz NPLQZUUTJBTEID-ZDUSSCGKSA-N 0 0 315.392 3.097 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCOC1 ZINC000883351567 626656587 /nfs/dbraw/zinc/65/65/87/626656587.db2.gz ICTINGFWERSTQQ-HUBLWGQQSA-N 0 0 308.378 3.156 20 10 DGCDRN CCN1CC[C@@H]1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000883355593 626658279 /nfs/dbraw/zinc/65/82/79/626658279.db2.gz UXVNSZUMAWGXGT-GHMZBOCLSA-N 0 0 302.340 3.156 20 10 DGCDRN CCN1CC[C@@H]1C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000883355417 626658487 /nfs/dbraw/zinc/65/84/87/626658487.db2.gz QHNNQYMZLSGMJE-VHSXEESVSA-N 0 0 303.233 3.444 20 10 DGCDRN CCc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)ccc1F ZINC000804267106 626664894 /nfs/dbraw/zinc/66/48/94/626664894.db2.gz VUODCJYATZHBDF-YWEYNIOJSA-N 0 0 301.317 3.451 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@@H]2CCCOC2)cc1 ZINC000804289146 626666128 /nfs/dbraw/zinc/66/61/28/626666128.db2.gz OSQUMELVKWSZOT-GOSISDBHSA-N 0 0 312.413 3.345 20 10 DGCDRN CC[C@H]([NH2+]CCCN1CCCCC1=O)c1cccc(Cl)c1[O-] ZINC000806138644 626701169 /nfs/dbraw/zinc/70/11/69/626701169.db2.gz YQONCNVUGPABEE-HNNXBMFYSA-N 0 0 324.852 3.489 20 10 DGCDRN CCOC1CC(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000806422970 626715056 /nfs/dbraw/zinc/71/50/56/626715056.db2.gz JIYCZYPSSCWPNE-UHFFFAOYSA-N 0 0 316.445 3.059 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCC2(CC3CC3)CC2)c1 ZINC000883805892 626747382 /nfs/dbraw/zinc/74/73/82/626747382.db2.gz UTEMNIICAXMLJW-LBPRGKRZSA-N 0 0 318.417 3.341 20 10 DGCDRN C[C@@H]1CC[C@@H]1NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000807557327 626760002 /nfs/dbraw/zinc/76/00/02/626760002.db2.gz XYCSQLYAFFDRBS-CJNGLKHVSA-N 0 0 314.385 3.496 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCCC2(F)F)cc1 ZINC000807598438 626762558 /nfs/dbraw/zinc/76/25/58/626762558.db2.gz VHNSIVMMJVRUDD-CQSZACIVSA-N 0 0 311.376 3.082 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)C1CCC(F)(F)CC1 ZINC000808094805 626792442 /nfs/dbraw/zinc/79/24/42/626792442.db2.gz FEPIBRVMSZBOOI-UHFFFAOYSA-N 0 0 318.360 3.320 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)C1(c2ccccc2)CC1 ZINC000808095343 626792519 /nfs/dbraw/zinc/79/25/19/626792519.db2.gz YIUHWLKEYNXZLU-UHFFFAOYSA-N 0 0 316.397 3.226 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C)cc1C ZINC000808095588 626792529 /nfs/dbraw/zinc/79/25/29/626792529.db2.gz KQGIOTOGRLNJQG-UHFFFAOYSA-N 0 0 304.386 3.425 20 10 DGCDRN CCOCC(C)(C)C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000808450394 626826308 /nfs/dbraw/zinc/82/63/08/626826308.db2.gz NUQSCVRWKNWNQA-UHFFFAOYSA-N 0 0 316.785 3.106 20 10 DGCDRN CSCC[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1C ZINC000133673775 626831640 /nfs/dbraw/zinc/83/16/40/626831640.db2.gz JYBQIYDZXRYHAU-CYBMUJFWSA-N 0 0 309.479 3.002 20 10 DGCDRN CC(=O)C(=O)COC(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000808521245 626835674 /nfs/dbraw/zinc/83/56/74/626835674.db2.gz LFNYRRLQLOWRAJ-GOSISDBHSA-N 0 0 324.376 3.104 20 10 DGCDRN CC(=O)C(=O)COC(=O)c1ccccc1Oc1cccc(C)c1 ZINC000808548275 626839076 /nfs/dbraw/zinc/83/90/76/626839076.db2.gz IJLJKDUXKZKPHK-UHFFFAOYSA-N 0 0 312.321 3.102 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CC1(CO)CCCC1 ZINC000135068616 626904392 /nfs/dbraw/zinc/90/43/92/626904392.db2.gz POOOACCWNRTFGF-UHFFFAOYSA-N 0 0 304.217 3.341 20 10 DGCDRN COc1ncc(/C=C\C(=O)N2CCC(C)(C)c3ccccc32)cn1 ZINC000809359531 626906713 /nfs/dbraw/zinc/90/67/13/626906713.db2.gz UXMJYNYRUHDUGB-HJWRWDBZSA-N 0 0 323.396 3.213 20 10 DGCDRN C[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccc(N(C)C)c(F)c1 ZINC000809697291 626937774 /nfs/dbraw/zinc/93/77/74/626937774.db2.gz ZCXLJHQXNGIZCD-QMTHXVAHSA-N 0 0 320.330 3.043 20 10 DGCDRN Oc1ccc2c(c1)OCCN(Cc1cc(Cl)ccc1O)C2 ZINC000809704624 626939429 /nfs/dbraw/zinc/93/94/29/626939429.db2.gz DGIBRSPCLDMPNO-UHFFFAOYSA-N 0 0 305.761 3.146 20 10 DGCDRN COc1cccc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])c1O ZINC000809739274 626943923 /nfs/dbraw/zinc/94/39/23/626943923.db2.gz FCKLQTUSUHXDKH-UHFFFAOYSA-N 0 0 311.740 3.189 20 10 DGCDRN CN(C)c1ccc(CNc2cccc3c2COC3=O)cc1F ZINC000809791784 626954596 /nfs/dbraw/zinc/95/45/96/626954596.db2.gz WWHPLDQNSXNGHY-UHFFFAOYSA-N 0 0 300.333 3.174 20 10 DGCDRN CC1CCC(N(C)C(=O)COc2ccc(N(C)C)cc2)CC1 ZINC000810001107 626967455 /nfs/dbraw/zinc/96/74/55/626967455.db2.gz XGKHKVYZKNWREF-UHFFFAOYSA-N 0 0 304.434 3.169 20 10 DGCDRN COc1cc(COc2ccc(N(C)C)cc2)ccc1[N+](=O)[O-] ZINC000810002431 626967531 /nfs/dbraw/zinc/96/75/31/626967531.db2.gz XCXJYARXCWYBSH-UHFFFAOYSA-N 0 0 302.330 3.248 20 10 DGCDRN CN1CCCc2cc(CNC(=O)C3(F)CCCCC3)ccc21 ZINC000810266322 626995581 /nfs/dbraw/zinc/99/55/81/626995581.db2.gz IXESRMVOMGKDLY-UHFFFAOYSA-N 0 0 304.409 3.358 20 10 DGCDRN CCOCc1cc(CNCc2cc(C3CC3)no2)ccc1OC ZINC000886272514 627128709 /nfs/dbraw/zinc/12/87/09/627128709.db2.gz RHLOVDQAFQCQNJ-UHFFFAOYSA-N 0 0 316.401 3.387 20 10 DGCDRN CCCOc1ccc(CNCc2n[nH]c(CSC)n2)cc1C ZINC000886325910 627137457 /nfs/dbraw/zinc/13/74/57/627137457.db2.gz VHBXHGOZZRJFGV-UHFFFAOYSA-N 0 0 320.462 3.055 20 10 DGCDRN C[C@@H](N[C@@H](C)c1nnc2n1CCCCC2)c1c(O)cccc1F ZINC000886500451 627153558 /nfs/dbraw/zinc/15/35/58/627153558.db2.gz WPOVCNZZINCYFJ-NEPJUHHUSA-N 0 0 318.396 3.261 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1c([O-])cccc1F ZINC000886500369 627153673 /nfs/dbraw/zinc/15/36/73/627153673.db2.gz SFUVXSIAMCOOEL-CYBMUJFWSA-N 0 0 315.392 3.377 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1c([O-])cccc1F ZINC000886506204 627153885 /nfs/dbraw/zinc/15/38/85/627153885.db2.gz GWLWJIHJLSOFNY-MNOVXSKESA-N 0 0 320.330 3.066 20 10 DGCDRN COCCOc1ccc(C[NH2+][C@H](C)c2c([O-])cccc2F)cc1 ZINC000886502568 627153925 /nfs/dbraw/zinc/15/39/25/627153925.db2.gz DJKIJHDVWQWMAW-CYBMUJFWSA-N 0 0 319.376 3.407 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1c([O-])cccc1F ZINC000886511154 627155273 /nfs/dbraw/zinc/15/52/73/627155273.db2.gz KMVXUTSMDLXVRP-OCCSQVGLSA-N 0 0 321.367 3.172 20 10 DGCDRN Cc1ncc2c(n1)CCC[C@H]2[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886528152 627157233 /nfs/dbraw/zinc/15/72/33/627157233.db2.gz HVPIGANRSQYFAW-QMTHXVAHSA-N 0 0 301.365 3.358 20 10 DGCDRN COc1ccc([C@H](CCO)[NH2+][C@H](C)c2c([O-])cccc2F)cc1 ZINC000886543495 627160334 /nfs/dbraw/zinc/16/03/34/627160334.db2.gz PSIXCZJEJUFXLB-WBMJQRKESA-N 0 0 319.376 3.314 20 10 DGCDRN C[C@H](N[C@@H](CO)c1c(F)cccc1F)c1c(O)cccc1F ZINC000886547887 627160985 /nfs/dbraw/zinc/16/09/85/627160985.db2.gz SZDWDYZZULCIBA-ZANVPECISA-N 0 0 311.303 3.194 20 10 DGCDRN COCC[C@H](Cc1ccco1)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886587936 627168199 /nfs/dbraw/zinc/16/81/99/627168199.db2.gz IMETYTWDLLCPTI-QWHCGFSZSA-N 0 0 307.365 3.423 20 10 DGCDRN Cc1cc(N[C@H](C)c2c(O)cccc2F)cc(OCCO)c1 ZINC000886601504 627171307 /nfs/dbraw/zinc/17/13/07/627171307.db2.gz VHVTVVSAVVRDIO-GFCCVEGCSA-N 0 0 305.349 3.384 20 10 DGCDRN C[C@H](N[C@H](CCO)C(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000886801624 627206042 /nfs/dbraw/zinc/20/60/42/627206042.db2.gz PXAIGEHCZBYTBS-ZUZCIYMTSA-N 0 0 317.351 3.235 20 10 DGCDRN COc1ccc(CNC(=O)CCc2ccc(C)s2)c(O)c1 ZINC000811484847 627279661 /nfs/dbraw/zinc/27/96/61/627279661.db2.gz NCTHFPWHRIPVBD-UHFFFAOYSA-N 0 0 305.399 3.020 20 10 DGCDRN CCN(CC)c1ccc(CNc2ccc(CO)cn2)cc1F ZINC000811500997 627282050 /nfs/dbraw/zinc/28/20/50/627282050.db2.gz CEFNTSZCKGWSEH-UHFFFAOYSA-N 0 0 303.381 3.171 20 10 DGCDRN CC(C)(C)OC(=O)N1CCCN1Cc1c(O)cccc1Cl ZINC000811502829 627282482 /nfs/dbraw/zinc/28/24/82/627282482.db2.gz ILVFLKCOXAAMLL-UHFFFAOYSA-N 0 0 312.797 3.403 20 10 DGCDRN C[C@H]1CN(Cc2cccc(Cl)c2O)c2ccccc2C(=O)N1 ZINC000811508788 627284235 /nfs/dbraw/zinc/28/42/35/627284235.db2.gz CHAZQBXYDHLREP-NSHDSACASA-N 0 0 316.788 3.184 20 10 DGCDRN CC(C)(CO)[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)C1CC1 ZINC000811518607 627286966 /nfs/dbraw/zinc/28/69/66/627286966.db2.gz MLJUPHZDICCVBE-CQSZACIVSA-N 0 0 301.789 3.071 20 10 DGCDRN Cc1ccc2c(c1)/C(=C\c1cn(-c3ccccc3)nn1)C(=O)N2C ZINC000811699406 627307949 /nfs/dbraw/zinc/30/79/49/627307949.db2.gz TZLXRWZXZOVFHP-GZTJUZNOSA-N 0 0 316.364 3.093 20 10 DGCDRN c1cc(N2CCCC2)ccc1CNc1cc(NC2CC2)ncn1 ZINC000840244198 627342540 /nfs/dbraw/zinc/34/25/40/627342540.db2.gz REHXWZBZWDVTNI-UHFFFAOYSA-N 0 0 309.417 3.263 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H](C2CC2)C1 ZINC000812048712 627350514 /nfs/dbraw/zinc/35/05/14/627350514.db2.gz WMMLHIJRMWLNDF-KRWDZBQOSA-N 0 0 315.461 3.393 20 10 DGCDRN O=[N+]([O-])c1ccc(NC(=S)NNc2ccccc2F)cc1 ZINC000812475085 627390342 /nfs/dbraw/zinc/39/03/42/627390342.db2.gz SOIASWBXEZPUET-UHFFFAOYSA-N 0 0 306.322 3.047 20 10 DGCDRN COC[C@@H](C)[C@H](C)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000812486285 627391472 /nfs/dbraw/zinc/39/14/72/627391472.db2.gz IZBWEAGBTHORQE-CVEARBPZSA-N 0 0 318.461 3.212 20 10 DGCDRN COC[C@@H](C)[C@@H](C)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000812486287 627391510 /nfs/dbraw/zinc/39/15/10/627391510.db2.gz IZBWEAGBTHORQE-HZPDHXFCSA-N 0 0 318.461 3.212 20 10 DGCDRN O=C(CCCC1CC1)NCc1cccc(Br)c1O ZINC000812557997 627397368 /nfs/dbraw/zinc/39/73/68/627397368.db2.gz QCPCDZCVJLDEMK-UHFFFAOYSA-N 0 0 312.207 3.351 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)[C@H](C)COC ZINC000812563464 627397993 /nfs/dbraw/zinc/39/79/93/627397993.db2.gz ALUYVGMRTISLBO-CABCVRRESA-N 0 0 307.434 3.440 20 10 DGCDRN O=C(CCCC1CC1)NCc1cc(Br)ccc1O ZINC000812574530 627398785 /nfs/dbraw/zinc/39/87/85/627398785.db2.gz UQNNKOOBDVHMBF-UHFFFAOYSA-N 0 0 312.207 3.351 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NOCCOC(C)C)cc1 ZINC000812802699 627422960 /nfs/dbraw/zinc/42/29/60/627422960.db2.gz UGMCLOWDYFCZKO-UHFFFAOYSA-N 0 0 316.401 3.181 20 10 DGCDRN COC[C@H](C)[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000812881978 627432393 /nfs/dbraw/zinc/43/23/93/627432393.db2.gz IPUSUDXFZRNCPS-JKSUJKDBSA-N 0 0 320.477 3.408 20 10 DGCDRN CC[C@@H](CNC(=O)NCc1ccccc1O)CC(F)(F)F ZINC000840277054 627442038 /nfs/dbraw/zinc/44/20/38/627442038.db2.gz QIVRWQLYUQLISA-SNVBAGLBSA-N 0 0 304.312 3.170 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CC(C3CC3)C2)cc1F ZINC000813062341 627443963 /nfs/dbraw/zinc/44/39/63/627443963.db2.gz KRFUJAMZOGZHND-UHFFFAOYSA-N 0 0 319.424 3.223 20 10 DGCDRN O=C(NCCCCF)N(Cc1ccco1)Cc1ccccc1O ZINC000813226366 627469974 /nfs/dbraw/zinc/46/99/74/627469974.db2.gz GQPRIUMKEASRJM-UHFFFAOYSA-N 0 0 320.364 3.447 20 10 DGCDRN CCc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1O ZINC000813386190 627485007 /nfs/dbraw/zinc/48/50/07/627485007.db2.gz IWBLKZVHCDIMPS-UHFFFAOYSA-N 0 0 312.413 3.293 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCCCC(=O)C2)c1 ZINC000813489249 627493870 /nfs/dbraw/zinc/49/38/70/627493870.db2.gz UCNVTBKZULUWMO-CHWSQXEVSA-N 0 0 319.401 3.118 20 10 DGCDRN C[C@H](NC(=O)NCC1CC(F)(F)C1)c1ccc(N(C)C)cc1 ZINC000813720434 627508900 /nfs/dbraw/zinc/50/89/00/627508900.db2.gz UUKSNUUJCPLJFE-NSHDSACASA-N 0 0 311.376 3.158 20 10 DGCDRN Cc1cc(C(=O)O[C@@H](C)C[N+](=O)[O-])c(C)n1-c1ccc(F)cc1 ZINC000814046184 627535261 /nfs/dbraw/zinc/53/52/61/627535261.db2.gz HCZPTRLDHZTZOF-NSHDSACASA-N 0 0 320.320 3.055 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ncnc2c1ncn2C1CC1 ZINC000814256093 627554850 /nfs/dbraw/zinc/55/48/50/627554850.db2.gz AFXOTKNLUHUMSE-UHFFFAOYSA-N 0 0 322.416 3.148 20 10 DGCDRN Cc1cc(CN(C)[C@@H](C)C(=O)OC(C)(C)C)ccc1N(C)C ZINC000815057380 627620202 /nfs/dbraw/zinc/62/02/02/627620202.db2.gz PSWIWEFVERQWDG-AWEZNQCLSA-N 0 0 306.450 3.223 20 10 DGCDRN CC(C)=CC[C@@H]1NC(=O)N([C@@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000924714386 627672304 /nfs/dbraw/zinc/67/23/04/627672304.db2.gz BZAQIZVVUHTPRZ-BBRMVZONSA-N 0 0 315.417 3.090 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CCCN1C)c1cccc(C(F)(F)F)c1[O-] ZINC000815565882 627685509 /nfs/dbraw/zinc/68/55/09/627685509.db2.gz CLCKPBDKPBIRTR-QWRGUYRKSA-N 0 0 302.340 3.156 20 10 DGCDRN Cc1cc(C)c([C@H](C)NCc2n[nH]cc2Br)c(O)c1 ZINC000815581757 627687546 /nfs/dbraw/zinc/68/75/46/627687546.db2.gz OPLONDWBPVSJJG-JTQLQIEISA-N 0 0 324.222 3.345 20 10 DGCDRN CSC[C@H](CCO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815582815 627687615 /nfs/dbraw/zinc/68/76/15/627687615.db2.gz PRTPLFXOPVXKEZ-UWVGGRQHSA-N 0 0 323.380 3.176 20 10 DGCDRN CC(C)n1cc([C@H](C)NCc2ccc3c(c2)CCCN3C)nn1 ZINC000924870226 627689149 /nfs/dbraw/zinc/68/91/49/627689149.db2.gz KFQAYYUZBLECRV-AWEZNQCLSA-N 0 0 313.449 3.092 20 10 DGCDRN COCC[C@@H](COC)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815628382 627692799 /nfs/dbraw/zinc/69/27/99/627692799.db2.gz YTFNWZYARAJNES-MNOVXSKESA-N 0 0 321.339 3.113 20 10 DGCDRN C[C@@H](NCC(C)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000815644942 627694300 /nfs/dbraw/zinc/69/43/00/627694300.db2.gz QQTCPAVMMTZNHT-LLVKDONJSA-N 0 0 318.795 3.482 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](CO)C1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000815648715 627695046 /nfs/dbraw/zinc/69/50/46/627695046.db2.gz UONAJKBKEHYNHE-TZMCWYRMSA-N 0 0 322.405 3.140 20 10 DGCDRN COc1cccc(CNC(=O)c2ccc(C(C)(F)F)cc2)c1O ZINC000815834732 627707144 /nfs/dbraw/zinc/70/71/44/627707144.db2.gz WVFZMGGEQXKKLM-UHFFFAOYSA-N 0 0 321.323 3.443 20 10 DGCDRN CO[C@@H]1CCCC[C@H]1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000816180107 627749866 /nfs/dbraw/zinc/74/98/66/627749866.db2.gz FTDKIHATECDHLD-KBRIMQKVSA-N 0 0 304.434 3.135 20 10 DGCDRN Cn1cnnc1C1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816491565 627796541 /nfs/dbraw/zinc/79/65/41/627796541.db2.gz QUHYYSUKDZZTBW-UHFFFAOYSA-N 0 0 322.412 3.054 20 10 DGCDRN Oc1cc(F)c(Cl)cc1CNc1ccc(-n2nccn2)cc1 ZINC000816525278 627802712 /nfs/dbraw/zinc/80/27/12/627802712.db2.gz MRUBLTQVWBNJRD-UHFFFAOYSA-N 0 0 318.739 3.378 20 10 DGCDRN CN(C)C1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCCC1 ZINC000816530533 627803010 /nfs/dbraw/zinc/80/30/10/627803010.db2.gz LMGLMGPABLEIBV-UHFFFAOYSA-N 0 0 300.805 3.149 20 10 DGCDRN C[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])N1CCC[C@H](C)C1 ZINC000816535587 627803136 /nfs/dbraw/zinc/80/31/36/627803136.db2.gz UERVCOSLMZZDCS-NWDGAFQWSA-N 0 0 314.832 3.395 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCc1ccc2c(c1)OCO2 ZINC000816530601 627803345 /nfs/dbraw/zinc/80/33/45/627803345.db2.gz NYDJBXNHAGKNJJ-UHFFFAOYSA-N 0 0 323.751 3.246 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000816544330 627805144 /nfs/dbraw/zinc/80/51/44/627805144.db2.gz DTKRFEHBEOJRMG-UHFFFAOYSA-N 0 0 322.758 3.004 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCc1ccc2c(c1)CCO2 ZINC000816550030 627805911 /nfs/dbraw/zinc/80/59/11/627805911.db2.gz GJHOUMYWBJYSEJ-UHFFFAOYSA-N 0 0 321.779 3.452 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H](O)c1ccsc1 ZINC000816552174 627806209 /nfs/dbraw/zinc/80/62/09/627806209.db2.gz CRMUKARMCDEPDN-CYBMUJFWSA-N 0 0 301.770 3.069 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC1(CO)CCCCC1 ZINC000816555571 627806531 /nfs/dbraw/zinc/80/65/31/627806531.db2.gz JJFQXAYLDQOFFQ-UHFFFAOYSA-N 0 0 301.789 3.217 20 10 DGCDRN CN1Cc2ccccc2[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816559923 627807466 /nfs/dbraw/zinc/80/74/66/627807466.db2.gz YYZTYKHWODEDJG-MRXNPFEDSA-N 0 0 320.795 3.461 20 10 DGCDRN COc1ccc(N(C)Cc2cnn(C)c2Cl)cc1Cl ZINC000816565866 627809116 /nfs/dbraw/zinc/80/91/16/627809116.db2.gz DRKDDEKXUJLGSC-UHFFFAOYSA-N 0 0 300.189 3.372 20 10 DGCDRN Cn1nc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])c2ccccc21 ZINC000816569504 627810087 /nfs/dbraw/zinc/81/00/87/627810087.db2.gz OADXJLDFJWBTGS-UHFFFAOYSA-N 0 0 319.767 3.361 20 10 DGCDRN COC(=O)CCC(C)(C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816569887 627810272 /nfs/dbraw/zinc/81/02/72/627810272.db2.gz ZVNCFLTYIFOYTF-UHFFFAOYSA-N 0 0 303.761 3.006 20 10 DGCDRN Cn1c(=O)[nH]c2ccc(NCc3cc(Cl)c(F)cc3O)cc21 ZINC000816599784 627813678 /nfs/dbraw/zinc/81/36/78/627813678.db2.gz YOJWDIZQSYJADQ-UHFFFAOYSA-N 0 0 321.739 3.389 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCCCC[C@H]1CCO ZINC000816603166 627813743 /nfs/dbraw/zinc/81/37/43/627813743.db2.gz AWKFNDGYBSADHW-LBPRGKRZSA-N 0 0 301.789 3.312 20 10 DGCDRN C[N@@H+](Cc1c([O-])ccc(Cl)c1F)C[C@H](O)Cc1ccccc1 ZINC000816624645 627816369 /nfs/dbraw/zinc/81/63/69/627816369.db2.gz BXCGQOFSONQMDH-CYBMUJFWSA-N 0 0 323.795 3.220 20 10 DGCDRN CC1(C)CCC[C@@]1(O)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000816640307 627818557 /nfs/dbraw/zinc/81/85/57/627818557.db2.gz CDWYKVSBFUMWHX-OAHLLOKOSA-N 0 0 301.789 3.216 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1ccncc1Cl ZINC000816914475 627839583 /nfs/dbraw/zinc/83/95/83/627839583.db2.gz RUIOQNOTHIBION-UHFFFAOYSA-N 0 0 318.804 3.422 20 10 DGCDRN Cc1csc(C[C@H]2CCN(C(=O)Nc3ccc(N)cc3)C2)n1 ZINC000926140609 627849825 /nfs/dbraw/zinc/84/98/25/627849825.db2.gz BOUABEPFNAMHHS-GFCCVEGCSA-N 0 0 316.430 3.130 20 10 DGCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2CCC1OCCCO1 ZINC000817298864 627879487 /nfs/dbraw/zinc/87/94/87/627879487.db2.gz QOXKXTOZFAZEAK-MRXNPFEDSA-N 0 0 319.445 3.483 20 10 DGCDRN CCC1(CC)CCN(CN(C)Cc2ccc(N(C)C)cc2)C1=O ZINC000817360338 627888379 /nfs/dbraw/zinc/88/83/79/627888379.db2.gz NMHMHUJQVOWAMM-UHFFFAOYSA-N 0 0 317.477 3.181 20 10 DGCDRN CCOc1cccc(CNc2ccc(C)c(C(=O)OC)c2)c1O ZINC000817409834 627895191 /nfs/dbraw/zinc/89/51/91/627895191.db2.gz DPGWNFDOQWSABK-UHFFFAOYSA-N 0 0 315.369 3.498 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000817419201 627898164 /nfs/dbraw/zinc/89/81/64/627898164.db2.gz QYFUSGFIQZLFNC-LLVKDONJSA-N 0 0 301.789 3.169 20 10 DGCDRN COc1cccc(CNC(=O)c2ccc(C(C)(C)C)cn2)c1O ZINC000817549315 627918858 /nfs/dbraw/zinc/91/88/58/627918858.db2.gz JMEYTYNREBHMEQ-UHFFFAOYSA-N 0 0 314.385 3.023 20 10 DGCDRN CCOC[C@H](O)COc1ccc(N2CCCCC2)c(Cl)c1 ZINC000817570958 627922080 /nfs/dbraw/zinc/92/20/80/627922080.db2.gz LNTGPKODDQNEHD-ZDUSSCGKSA-N 0 0 313.825 3.107 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)c3cn(CC4CC4)nn3)cc12 ZINC000817762123 627947374 /nfs/dbraw/zinc/94/73/74/627947374.db2.gz PWYXLEIVTRKDTD-UHFFFAOYSA-N 0 0 324.384 3.016 20 10 DGCDRN Nc1ccc(Cc2nc(C(=O)N3CCCCCC3)cs2)cc1 ZINC000817903641 627956863 /nfs/dbraw/zinc/95/68/63/627956863.db2.gz SDTDJALROQNMSE-UHFFFAOYSA-N 0 0 315.442 3.332 20 10 DGCDRN CC(C)(C)CNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817910522 627959289 /nfs/dbraw/zinc/95/92/89/627959289.db2.gz UUJZBAFWKLIPKS-UHFFFAOYSA-N 0 0 303.431 3.092 20 10 DGCDRN CC1(C)CCCN1C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817931927 627965004 /nfs/dbraw/zinc/96/50/04/627965004.db2.gz PAQGHFHOPXAPQC-UHFFFAOYSA-N 0 0 315.442 3.331 20 10 DGCDRN C[C@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000926966480 627990919 /nfs/dbraw/zinc/99/09/19/627990919.db2.gz ZXYQHCJTUFVALL-TVQRCGJNSA-N 0 0 308.319 3.065 20 10 DGCDRN C[C@H](CC(=O)NCCc1ccc(N)cc1)c1ccc(F)cc1F ZINC000818545167 628033595 /nfs/dbraw/zinc/03/35/95/628033595.db2.gz MLVXTGLOABOEBH-GFCCVEGCSA-N 0 0 318.367 3.400 20 10 DGCDRN Cc1cccc(C2(C(=O)NCCc3ccc(N)cc3)CCC2)c1 ZINC000818546103 628034232 /nfs/dbraw/zinc/03/42/32/628034232.db2.gz NZTIXNQIKGOALP-UHFFFAOYSA-N 0 0 308.425 3.358 20 10 DGCDRN CC(C)c1ccccc1OCC(=O)NCCc1ccc(N)cc1 ZINC000818546324 628034281 /nfs/dbraw/zinc/03/42/81/628034281.db2.gz NLFGZTDZUVHSLL-UHFFFAOYSA-N 0 0 312.413 3.130 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCS[C@@H](C)C2)c1 ZINC000927249160 628038782 /nfs/dbraw/zinc/03/87/82/628038782.db2.gz WRGILKKVGOBLGU-SRVKXCTJSA-N 0 0 324.446 3.045 20 10 DGCDRN CC(C)CCC[C@@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819166373 628104075 /nfs/dbraw/zinc/10/40/75/628104075.db2.gz VOZGYWPMYYMKIN-CQSZACIVSA-N 0 0 318.417 3.371 20 10 DGCDRN O=C(/C=C\[C@@H]1CCCO1)NCc1ccc(N2CCCCC2)cc1 ZINC000819183165 628108107 /nfs/dbraw/zinc/10/81/07/628108107.db2.gz AJMUZNAJQXCTRK-LENZSSGSSA-N 0 0 314.429 3.028 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)C(F)=C3CCC3)CC2)cc1 ZINC000819218843 628114693 /nfs/dbraw/zinc/11/46/93/628114693.db2.gz LZBKLIJWJYHIOI-UHFFFAOYSA-N 0 0 318.392 3.188 20 10 DGCDRN CCOC1CN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000819279834 628126019 /nfs/dbraw/zinc/12/60/19/628126019.db2.gz QAMSHLJNXIOWSF-UHFFFAOYSA-N 0 0 316.376 3.094 20 10 DGCDRN CC/C(C)=C(/C)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819586337 628171476 /nfs/dbraw/zinc/17/14/76/628171476.db2.gz NPLAGBOCSVNPTA-YARYAAFXSA-N 0 0 316.445 3.384 20 10 DGCDRN CCC(=CC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1)CC ZINC000819584640 628171513 /nfs/dbraw/zinc/17/15/13/628171513.db2.gz NVFMZCRDMIHWIH-MRXNPFEDSA-N 0 0 316.445 3.384 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNC(=O)/C=C/C(C)(C)C)C2)cc1 ZINC000819582122 628171559 /nfs/dbraw/zinc/17/15/59/628171559.db2.gz IFMOYTJBDADOQS-GDXASINISA-N 0 0 316.445 3.240 20 10 DGCDRN CC[C@@H](C)CCC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819588963 628171992 /nfs/dbraw/zinc/17/19/92/628171992.db2.gz BCORUKUJEUXEAT-CVEARBPZSA-N 0 0 318.461 3.464 20 10 DGCDRN COc1ccc(C[C@@H](C)C(=O)NCc2c(O)cccc2F)cc1 ZINC000928704810 628179187 /nfs/dbraw/zinc/17/91/87/628179187.db2.gz DJQHZMLFIOCILK-GFCCVEGCSA-N 0 0 317.360 3.035 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCc2cccnc21 ZINC000819824861 628194257 /nfs/dbraw/zinc/19/42/57/628194257.db2.gz NQTZBLQQAFDFRC-SFHVURJKSA-N 0 0 323.440 3.226 20 10 DGCDRN CN(C)c1ccc(CN(c2ccc(Cl)nn2)C2CC2)cc1 ZINC000819911886 628198040 /nfs/dbraw/zinc/19/80/40/628198040.db2.gz WSRCMTHPXHCERT-UHFFFAOYSA-N 0 0 302.809 3.365 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNc3cncc(Cl)n3)C2)cc1 ZINC000819935515 628201416 /nfs/dbraw/zinc/20/14/16/628201416.db2.gz MVRPVUUYYLATRF-LBPRGKRZSA-N 0 0 318.808 3.077 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNc3ccc(Cl)nn3)C2)cc1 ZINC000819934966 628201448 /nfs/dbraw/zinc/20/14/48/628201448.db2.gz JDFHAZXIDKVRRR-LBPRGKRZSA-N 0 0 318.808 3.077 20 10 DGCDRN Cc1cc(C)c2c(N)c(C(=O)OC[C@@H]3CCCCO3)sc2n1 ZINC000928974147 628202224 /nfs/dbraw/zinc/20/22/24/628202224.db2.gz BQOYHQISRAKETF-NSHDSACASA-N 0 0 320.414 3.221 20 10 DGCDRN CCc1nocc1C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000819974130 628207582 /nfs/dbraw/zinc/20/75/82/628207582.db2.gz IJVJZOVUNOQAJK-UHFFFAOYSA-N 0 0 315.417 3.355 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)c1ncc[nH]1 ZINC000820275985 628241722 /nfs/dbraw/zinc/24/17/22/628241722.db2.gz RIOIIJJRIQEJKJ-GFCCVEGCSA-N 0 0 314.414 3.370 20 10 DGCDRN CC(C)CNC(=O)c1ccccc1NC(=O)C1=CC(=O)CS1 ZINC000820573070 628273353 /nfs/dbraw/zinc/27/33/53/628273353.db2.gz PTPGZFIERXNKNP-UHFFFAOYSA-N 0 0 318.398 3.092 20 10 DGCDRN CSCC1(CCNC(=O)N(C)Cc2ccccc2O)CC1 ZINC000820999808 628324244 /nfs/dbraw/zinc/32/42/44/628324244.db2.gz VSJICACFGYFZME-UHFFFAOYSA-N 0 0 308.447 3.067 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2coc(C(C)(C)C)n2)c1 ZINC000821065438 628334238 /nfs/dbraw/zinc/33/42/38/628334238.db2.gz OERWUNLTTXWGDF-SNVBAGLBSA-N 0 0 318.373 3.177 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NCC2(C3CC3)CCC2)cc1 ZINC000821204971 628346031 /nfs/dbraw/zinc/34/60/31/628346031.db2.gz YPTAETBGGXJFKM-UHFFFAOYSA-N 0 0 300.362 3.159 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC2CCC(F)(F)CC2)cc1 ZINC000821400254 628363887 /nfs/dbraw/zinc/36/38/87/628363887.db2.gz WUULTYBKKPQRHE-UHFFFAOYSA-N 0 0 310.304 3.157 20 10 DGCDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)Nn1cnnc1 ZINC000821507509 628378228 /nfs/dbraw/zinc/37/82/28/628378228.db2.gz BVXYONRCFJGKSU-UHFFFAOYSA-N 0 0 307.317 3.469 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(F)s1 ZINC000821843467 628402419 /nfs/dbraw/zinc/40/24/19/628402419.db2.gz SAXXRIIPWBYWDX-UHFFFAOYSA-N 0 0 304.390 3.417 20 10 DGCDRN C[C@@H](Cc1ccco1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000821842265 628402555 /nfs/dbraw/zinc/40/25/55/628402555.db2.gz JSIAPLRRAFQQPE-HNNXBMFYSA-N 0 0 312.413 3.375 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1nc(CC(C)C)no1 ZINC000821853646 628403972 /nfs/dbraw/zinc/40/39/72/628403972.db2.gz VZKPYRIZAOCKBG-UHFFFAOYSA-N 0 0 301.390 3.230 20 10 DGCDRN CC[C@@H](CC(F)(F)F)C(=O)NCc1ccc(N(C)C)cc1 ZINC000822226780 628431324 /nfs/dbraw/zinc/43/13/24/628431324.db2.gz HPULQLCZXVZRGK-LBPRGKRZSA-N 0 0 302.340 3.347 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@]1(C)CC1(F)F ZINC000822424011 628450066 /nfs/dbraw/zinc/45/00/66/628450066.db2.gz OMRCRABHXTYPEW-OAHLLOKOSA-N 0 0 312.360 3.359 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cc2c([nH]1)CCCC2 ZINC000822495905 628457731 /nfs/dbraw/zinc/45/77/31/628457731.db2.gz SPHGRTFPVCWEIP-UHFFFAOYSA-N 0 0 323.440 3.424 20 10 DGCDRN CC1(C)CC[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000822554529 628463555 /nfs/dbraw/zinc/46/35/55/628463555.db2.gz YMTOTLHCGATJNX-INIZCTEOSA-N 0 0 318.486 3.292 20 10 DGCDRN CC[C@@H](NC(=O)N(CC)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000822572315 628466287 /nfs/dbraw/zinc/46/62/87/628466287.db2.gz KIUDRKQSMZGJDL-QGZVFWFLSA-N 0 0 303.450 3.473 20 10 DGCDRN CCC[C@H](C)NC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000822580162 628467396 /nfs/dbraw/zinc/46/73/96/628467396.db2.gz QXBYJLAZPYHJQZ-LSDHHAIUSA-N 0 0 319.449 3.009 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Cc2cnccc2C)cc1 ZINC000822606730 628470105 /nfs/dbraw/zinc/47/01/05/628470105.db2.gz AAVYOUOVKKFXBH-UHFFFAOYSA-N 0 0 311.429 3.095 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc(C2CC2)nc1 ZINC000822808496 628497736 /nfs/dbraw/zinc/49/77/36/628497736.db2.gz FJQVPQLJRMIPBR-UHFFFAOYSA-N 0 0 324.428 3.082 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC000822809060 628497827 /nfs/dbraw/zinc/49/78/27/628497827.db2.gz NYEXWMKTFLMVIJ-ZIAGYGMSSA-N 0 0 314.351 3.300 20 10 DGCDRN CC[C@H](O)CC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000822814355 628498288 /nfs/dbraw/zinc/49/82/88/628498288.db2.gz QBRKYCGIEOWRNV-SFHVURJKSA-N 0 0 318.461 3.233 20 10 DGCDRN O=C(CSC1CC1)NCc1ccc(N2CCCCC2)cc1 ZINC000822818609 628498701 /nfs/dbraw/zinc/49/87/01/628498701.db2.gz GYSZYDMZOIGHSK-UHFFFAOYSA-N 0 0 304.459 3.189 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCCCC2(F)F)cc1F ZINC000822863030 628503887 /nfs/dbraw/zinc/50/38/87/628503887.db2.gz LBTNVOHEGSTHER-LBPRGKRZSA-N 0 0 314.351 3.333 20 10 DGCDRN CO[C@@H]1CC[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000822897844 628507327 /nfs/dbraw/zinc/50/73/27/628507327.db2.gz CUPRNLLEUWJSPY-SJLPKXTDSA-N 0 0 318.461 3.305 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCC(C3CC3)CC2)cc1 ZINC000823102160 628526587 /nfs/dbraw/zinc/52/65/87/628526587.db2.gz ZKNRMYIZVAHORN-UHFFFAOYSA-N 0 0 300.362 3.111 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000823181137 628534267 /nfs/dbraw/zinc/53/42/67/628534267.db2.gz JNDHVDNPKVVWHZ-QDMKHBRRSA-N 0 0 310.397 3.383 20 10 DGCDRN CCC(=O)C1(C(=O)NCc2ccc(N(CC)CC)c(F)c2)CC1 ZINC000823213979 628537596 /nfs/dbraw/zinc/53/75/96/628537596.db2.gz UKHUJRFGVNESRK-UHFFFAOYSA-N 0 0 320.408 3.047 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)C1CCC1 ZINC000840478988 628555058 /nfs/dbraw/zinc/55/50/58/628555058.db2.gz KWIGLRIUIMFYQV-CQSZACIVSA-N 0 0 303.450 3.186 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@@H](C)C1 ZINC000840479626 628564144 /nfs/dbraw/zinc/56/41/44/628564144.db2.gz PWJSIIUKKRSIMO-HIFRSBDPSA-N 0 0 303.450 3.043 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC(C(C)C)C1 ZINC000840482030 628590550 /nfs/dbraw/zinc/59/05/50/628590550.db2.gz RKHFTUXSUIWKSM-OAHLLOKOSA-N 0 0 317.477 3.289 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2C[C@H]2C2CCC2)cc1 ZINC000823770264 628595219 /nfs/dbraw/zinc/59/52/19/628595219.db2.gz OTYYZLQTDSBXMR-WMZOPIPTSA-N 0 0 315.461 3.330 20 10 DGCDRN CC[C@@H]1CCN1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840483294 628606193 /nfs/dbraw/zinc/60/61/93/628606193.db2.gz JGQOBPAWVHOQBI-GOEBONIOSA-N 0 0 303.450 3.186 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC[C@H]2C[C@H]21 ZINC000840483880 628615278 /nfs/dbraw/zinc/61/52/78/628615278.db2.gz LXIQYNHCUMBCNT-QILLFSRXSA-N 0 0 315.461 3.186 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@]12CCO[C@H]1CCCC2 ZINC000823986393 628615951 /nfs/dbraw/zinc/61/59/51/628615951.db2.gz LOSXPIIEGQSYJJ-GOEBONIOSA-N 0 0 309.793 3.011 20 10 DGCDRN COCCCN(C)C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000823986317 628616103 /nfs/dbraw/zinc/61/61/03/628616103.db2.gz HONXQZITLRDIHZ-UHFFFAOYSA-N 0 0 314.429 3.132 20 10 DGCDRN O=C(C[C@H]1CC[C@H](C2CC2)O1)NCc1cc(Cl)ccc1O ZINC000823985819 628616225 /nfs/dbraw/zinc/61/62/25/628616225.db2.gz CVOLQRFHTNLDIT-UKRRQHHQSA-N 0 0 309.793 3.010 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000824004560 628617633 /nfs/dbraw/zinc/61/76/33/628617633.db2.gz OKAFWHKUYPKPLQ-FZMZJTMJSA-N 0 0 300.362 3.254 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C(F)(F)F ZINC000824391086 628657301 /nfs/dbraw/zinc/65/73/01/628657301.db2.gz BMXMSOUZMCHAQC-JTQLQIEISA-N 0 0 304.312 3.265 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCCC1CCOCC1 ZINC000824477248 628664414 /nfs/dbraw/zinc/66/44/14/628664414.db2.gz OGNJGKQYQQMUFX-UHFFFAOYSA-N 0 0 301.789 3.481 20 10 DGCDRN CC[C@H](C)[C@H](C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])OC ZINC000824597323 628675378 /nfs/dbraw/zinc/67/53/78/628675378.db2.gz QXLUIFOZTGKXJY-ZANVPECISA-N 0 0 316.785 3.105 20 10 DGCDRN CCOc1ccc(CN2CC(C)(C)[C@H]2c2nccn2C)c(O)c1 ZINC000824620411 628678321 /nfs/dbraw/zinc/67/83/21/628678321.db2.gz NLNHZNDLFUELPB-MRXNPFEDSA-N 0 0 315.417 3.108 20 10 DGCDRN CCCCN(C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840489066 628678847 /nfs/dbraw/zinc/67/88/47/628678847.db2.gz QUXRJDXKVHKOHS-HNNXBMFYSA-N 0 0 305.466 3.434 20 10 DGCDRN CCCCN(C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840489073 628678940 /nfs/dbraw/zinc/67/89/40/628678940.db2.gz QUXRJDXKVHKOHS-OAHLLOKOSA-N 0 0 305.466 3.434 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C2CCC3(CC3)CC2)cc1F ZINC000824669150 628682359 /nfs/dbraw/zinc/68/23/59/628682359.db2.gz GXTJEFGDCZRSGK-UHFFFAOYSA-N 0 0 304.409 3.478 20 10 DGCDRN CO[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)C1CCCCC1 ZINC000824669338 628682384 /nfs/dbraw/zinc/68/23/84/628682384.db2.gz JHPCWBCHLWXYDD-KRWDZBQOSA-N 0 0 322.424 3.103 20 10 DGCDRN CCC[C@H](CC)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000824712192 628686548 /nfs/dbraw/zinc/68/65/48/628686548.db2.gz VURUVYRQZWQFFR-INIZCTEOSA-N 0 0 318.461 3.090 20 10 DGCDRN CC[C@@](C)(C[NH2+]Cc1cc(C)cc(Br)c1[O-])OC ZINC000824743809 628688956 /nfs/dbraw/zinc/68/89/56/628688956.db2.gz NQTQADVTETXTGH-AWEZNQCLSA-N 0 0 316.239 3.368 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1cc(F)ccn1 ZINC000824836261 628698803 /nfs/dbraw/zinc/69/88/03/628698803.db2.gz KTKMQIDALJZLTF-UHFFFAOYSA-N 0 0 315.348 3.127 20 10 DGCDRN COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000824853492 628700790 /nfs/dbraw/zinc/70/07/90/628700790.db2.gz GWZISTHTFYQFPS-YPMHNXCESA-N 0 0 315.772 3.006 20 10 DGCDRN [O-]c1c(Br)cccc1C[NH2+]Cc1cnc(C2CC2)o1 ZINC000825172367 628735086 /nfs/dbraw/zinc/73/50/86/628735086.db2.gz QQUDBFPVTOOJLY-UHFFFAOYSA-N 0 0 323.190 3.310 20 10 DGCDRN COCC[C@@H](C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000825178574 628735647 /nfs/dbraw/zinc/73/56/47/628735647.db2.gz MXZPHFQJSSOSEE-CQSZACIVSA-N 0 0 314.429 3.178 20 10 DGCDRN CC(C)(CN1CCCC1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000825326298 628749697 /nfs/dbraw/zinc/74/96/97/628749697.db2.gz MGAFZARMCGZWEG-UHFFFAOYSA-N 0 0 300.805 3.149 20 10 DGCDRN Oc1cc(Br)ccc1CNc1cnn(CC2CC2)c1 ZINC000825384942 628756776 /nfs/dbraw/zinc/75/67/76/628756776.db2.gz MPPHKIBWAOXLCJ-UHFFFAOYSA-N 0 0 322.206 3.373 20 10 DGCDRN CCn1nccc1NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000825405979 628758830 /nfs/dbraw/zinc/75/88/30/628758830.db2.gz MJBPJBPXYFWVBQ-UHFFFAOYSA-N 0 0 322.412 3.492 20 10 DGCDRN CCSc1cccnc1C(=O)N(C)Cc1ccccc1O ZINC000825481590 628765936 /nfs/dbraw/zinc/76/59/36/628765936.db2.gz OGRLYYXEFBVYNY-UHFFFAOYSA-N 0 0 302.399 3.171 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC23CCSCC3)c1 ZINC000825736915 628793066 /nfs/dbraw/zinc/79/30/66/628793066.db2.gz NCEFORWLWJFYQC-SMDDNHRTSA-N 0 0 321.442 3.111 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC23CCSCC3)c1 ZINC000825736913 628793275 /nfs/dbraw/zinc/79/32/75/628793275.db2.gz NCEFORWLWJFYQC-FZMZJTMJSA-N 0 0 321.442 3.111 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC12CCSCC2 ZINC000825873216 628805822 /nfs/dbraw/zinc/80/58/22/628805822.db2.gz IAEWWBGKFNGBJB-INIZCTEOSA-N 0 0 318.486 3.211 20 10 DGCDRN CC[C@@H]1CN(Cc2cc(Cl)c(C)cc2O)C[C@@H](C)[S@@]1=O ZINC000825886826 628807366 /nfs/dbraw/zinc/80/73/66/628807366.db2.gz QQVPFVHTYVVBCR-YZRASEIHSA-N 0 0 315.866 3.085 20 10 DGCDRN Cc1cc(O)c(CN2CCOC[C@H]2CC(F)F)cc1Cl ZINC000825893312 628808057 /nfs/dbraw/zinc/80/80/57/628808057.db2.gz VRZCRSPIMQECTL-LLVKDONJSA-N 0 0 305.752 3.210 20 10 DGCDRN C/C(=C\C(=O)N1CCCc2cc(F)cc(C)c21)c1cnccn1 ZINC000826072932 628826066 /nfs/dbraw/zinc/82/60/66/628826066.db2.gz XQXGLKKNOGAPCS-FMIVXFBMSA-N 0 0 311.360 3.307 20 10 DGCDRN Cc1cc(O)c(CN2CC[S@@](=O)C(C)(C)CC2)cc1Cl ZINC000826084133 628826674 /nfs/dbraw/zinc/82/66/74/628826674.db2.gz UTYHQLNPSCLTPJ-HXUWFJFHSA-N 0 0 315.866 3.087 20 10 DGCDRN Cc1cc(O)c(CN2CC[S@](=O)C(C)(C)CC2)cc1Cl ZINC000826084132 628826706 /nfs/dbraw/zinc/82/67/06/628826706.db2.gz UTYHQLNPSCLTPJ-FQEVSTJZSA-N 0 0 315.866 3.087 20 10 DGCDRN Cc1ccc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000826530384 628856703 /nfs/dbraw/zinc/85/67/03/628856703.db2.gz FKCVXLUOHLKAHJ-CQSZACIVSA-N 0 0 312.417 3.016 20 10 DGCDRN O=C(NCCCSc1nccs1)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000826692648 628874187 /nfs/dbraw/zinc/87/41/87/628874187.db2.gz JKBKEWQQLNPOOJ-SDDRHHMPSA-N 0 0 311.476 3.113 20 10 DGCDRN C/C(=C/C(=O)N1C[C@H](C)Oc2ccc(C)cc21)c1cnccn1 ZINC000826819964 628891643 /nfs/dbraw/zinc/89/16/43/628891643.db2.gz ZODWJJLMOOGCQC-XXYUJHKVSA-N 0 0 309.369 3.002 20 10 DGCDRN Cc1cc(NC(=O)C2=CC(=O)CS2)ccc1C(=O)NC(C)C ZINC000826919897 628904085 /nfs/dbraw/zinc/90/40/85/628904085.db2.gz DHGAIVXRPQJLQS-UHFFFAOYSA-N 0 0 318.398 3.153 20 10 DGCDRN Cn1ncc(C2CC2)c1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000827250794 628941344 /nfs/dbraw/zinc/94/13/44/628941344.db2.gz AQRZIBICCRAUJS-UHFFFAOYSA-N 0 0 309.772 3.085 20 10 DGCDRN Cc1cc(C(=O)CN(C)C2CC2)c(C)n1-c1ccc(Cl)cn1 ZINC000827416300 628957192 /nfs/dbraw/zinc/95/71/92/628957192.db2.gz YXDDIQFNAOFKQI-UHFFFAOYSA-N 0 0 317.820 3.419 20 10 DGCDRN C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000827733922 628986765 /nfs/dbraw/zinc/98/67/65/628986765.db2.gz RAWDONDLZSAAJH-MEDUHNTESA-N 0 0 323.795 3.439 20 10 DGCDRN CCc1cccc(CN2C[C@@H](C)O[C@H](CC(F)(F)F)C2)c1O ZINC000827785979 628991107 /nfs/dbraw/zinc/99/11/07/628991107.db2.gz FJNSVYYDUILESI-BXUZGUMPSA-N 0 0 317.351 3.496 20 10 DGCDRN C[C@H](O)[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccccc1 ZINC000827855459 628997528 /nfs/dbraw/zinc/99/75/28/628997528.db2.gz DIMBBWYAQSXKTH-QFYYESIMSA-N 0 0 309.768 3.396 20 10 DGCDRN CCOc1ccc(OCC(=O)N[C@H](C)c2ccccc2O)cc1 ZINC000827918519 629003714 /nfs/dbraw/zinc/00/37/14/629003714.db2.gz WYMJWDWHSIMHSD-CYBMUJFWSA-N 0 0 315.369 3.047 20 10 DGCDRN Cc1noc(C)c1CSCC(=O)N[C@H](C)c1ccccc1O ZINC000827922869 629003866 /nfs/dbraw/zinc/00/38/66/629003866.db2.gz BJBOWWVQTJKSCQ-SNVBAGLBSA-N 0 0 320.414 3.108 20 10 DGCDRN Cc1noc(C)c1[C@H](C)CC(=O)N[C@H](C)c1ccccc1O ZINC000827940703 629005830 /nfs/dbraw/zinc/00/58/30/629005830.db2.gz IDUGTBSOADJPEN-GHMZBOCLSA-N 0 0 302.374 3.368 20 10 DGCDRN CC(=O)[C@@H]1C[C@H](CC(=O)N[C@H](C)c2ccccc2O)C1(C)C ZINC000827941118 629006015 /nfs/dbraw/zinc/00/60/15/629006015.db2.gz MTLMONWGUJODHH-KYOSRNDESA-N 0 0 303.402 3.211 20 10 DGCDRN C[C@@H](NC(=O)CCc1ncc(C(C)(C)C)o1)c1ccccc1O ZINC000827941679 629006037 /nfs/dbraw/zinc/00/60/37/629006037.db2.gz VXWBYZBCCFGZLR-GFCCVEGCSA-N 0 0 316.401 3.488 20 10 DGCDRN Cc1ccc2c(c1)CC[C@@H](C(=O)N[C@H](C)c1ccccc1O)O2 ZINC000827946978 629006427 /nfs/dbraw/zinc/00/64/27/629006427.db2.gz XCQHXTTYABDPKD-ACJLOTCBSA-N 0 0 311.381 3.272 20 10 DGCDRN CC(C)Oc1ncccc1C(=O)N[C@H](C)c1ccccc1O ZINC000827946954 629006462 /nfs/dbraw/zinc/00/64/62/629006462.db2.gz VRRHLTHUSNGSPB-GFCCVEGCSA-N 0 0 300.358 3.065 20 10 DGCDRN Cc1ccc2c(c1)CC[C@H](C(=O)N[C@H](C)c1ccccc1O)O2 ZINC000827946979 629006520 /nfs/dbraw/zinc/00/65/20/629006520.db2.gz XCQHXTTYABDPKD-FZKQIMNGSA-N 0 0 311.381 3.272 20 10 DGCDRN CCCCn1ncc(C(=O)N[C@H](C)c2ccccc2O)c1CC ZINC000827946482 629006528 /nfs/dbraw/zinc/00/65/28/629006528.db2.gz JSJPBYRPBZUNJY-CYBMUJFWSA-N 0 0 315.417 3.442 20 10 DGCDRN C[C@@H](NC(=O)C(C)(C)C1CCC(O)CC1)c1ccccc1O ZINC000827946430 629006599 /nfs/dbraw/zinc/00/65/99/629006599.db2.gz HUJSYGMUFZVCGQ-IYXRBSQSSA-N 0 0 305.418 3.147 20 10 DGCDRN C[C@@H](NC(=O)[C@H](C)c1ccc2c(c1)OCO2)c1ccccc1O ZINC000827946219 629006710 /nfs/dbraw/zinc/00/67/10/629006710.db2.gz AQRPSPVSDNTKGY-VXGBXAGGSA-N 0 0 313.353 3.102 20 10 DGCDRN CCCOc1cccnc1C(=O)N[C@H](C)c1ccccc1O ZINC000827946306 629006754 /nfs/dbraw/zinc/00/67/54/629006754.db2.gz DBXMUQJOGXDKPB-GFCCVEGCSA-N 0 0 300.358 3.067 20 10 DGCDRN C[C@@H](NC(=O)[C@H](C)OCc1ccc(F)cc1)c1ccccc1O ZINC000827952257 629007210 /nfs/dbraw/zinc/00/72/10/629007210.db2.gz LMWTWNAAXRZUNV-OLZOCXBDSA-N 0 0 317.360 3.314 20 10 DGCDRN C[C@@H](NC(=O)[C@@H]1CCN(c2ccccc2)C1)c1ccccc1O ZINC000827952641 629007652 /nfs/dbraw/zinc/00/76/52/629007652.db2.gz ZOAUBNRYYDDIRT-HUUCEWRRSA-N 0 0 310.397 3.096 20 10 DGCDRN Cc1ccc(CO[C@H](C)C(=O)N[C@H](C)c2ccccc2O)cc1 ZINC000827957602 629007967 /nfs/dbraw/zinc/00/79/67/629007967.db2.gz WEXBLLAXRXNODU-HUUCEWRRSA-N 0 0 313.397 3.483 20 10 DGCDRN Cc1csc([C@H](C)C(=O)NCc2ccc(N(C)C)cc2C)n1 ZINC000827957991 629008155 /nfs/dbraw/zinc/00/81/55/629008155.db2.gz XHKSPCKIZPRVBL-CYBMUJFWSA-N 0 0 317.458 3.246 20 10 DGCDRN C[C@H](NC(=O)C(C)(C)C1CCC(O)CC1)c1ccccc1O ZINC000827969059 629009396 /nfs/dbraw/zinc/00/93/96/629009396.db2.gz HUJSYGMUFZVCGQ-HSBZDZAISA-N 0 0 305.418 3.147 20 10 DGCDRN C[C@H](NC(=O)[C@H]1CCC(=O)[C@H](C)C1(C)C)c1ccccc1O ZINC000827968983 629009522 /nfs/dbraw/zinc/00/95/22/629009522.db2.gz DPGVMFGVVPHELE-SGMGOOAPSA-N 0 0 303.402 3.211 20 10 DGCDRN CCO[C@@H](C)c1ncc(C(=O)N[C@@H](C)c2ccccc2O)s1 ZINC000827973350 629009742 /nfs/dbraw/zinc/00/97/42/629009742.db2.gz MCGVLCZXNNOVOZ-QWRGUYRKSA-N 0 0 320.414 3.437 20 10 DGCDRN CCO[C@H](C)c1ncc(C(=O)N[C@@H](C)c2ccccc2O)s1 ZINC000827973351 629009842 /nfs/dbraw/zinc/00/98/42/629009842.db2.gz MCGVLCZXNNOVOZ-WDEREUQCSA-N 0 0 320.414 3.437 20 10 DGCDRN C[C@@H](Sc1ccccn1)C(=O)N[C@@H](C)c1ccccc1O ZINC000827973000 629010021 /nfs/dbraw/zinc/01/00/21/629010021.db2.gz FZCLPWMQTBNXDI-NWDGAFQWSA-N 0 0 302.399 3.145 20 10 DGCDRN C[C@H](NC(=O)CCSc1ccccn1)c1ccccc1O ZINC000827973362 629010351 /nfs/dbraw/zinc/01/03/51/629010351.db2.gz MRAAHZUTDVTNNF-LBPRGKRZSA-N 0 0 302.399 3.147 20 10 DGCDRN C[C@H](NC(=O)CCCc1nc2ccccc2[nH]1)c1ccccc1O ZINC000827981966 629010877 /nfs/dbraw/zinc/01/08/77/629010877.db2.gz JHWMVICEJAMGPI-ZDUSSCGKSA-N 0 0 323.396 3.469 20 10 DGCDRN COc1ccccc1OCCC(=O)N[C@@H](C)c1ccccc1O ZINC000827984352 629010999 /nfs/dbraw/zinc/01/09/99/629010999.db2.gz BUBNYCRIGHFJGV-ZDUSSCGKSA-N 0 0 315.369 3.047 20 10 DGCDRN CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2ccccc2O)c1C ZINC000827984719 629011195 /nfs/dbraw/zinc/01/11/95/629011195.db2.gz DGNWKHFEAFAGFL-JTQLQIEISA-N 0 0 300.358 3.031 20 10 DGCDRN COc1cc(C(=O)N[C@@H](C)c2ccccc2O)cc(OC)c1C ZINC000827986368 629011419 /nfs/dbraw/zinc/01/14/19/629011419.db2.gz PXHLMJGUVOOJSK-LBPRGKRZSA-N 0 0 315.369 3.209 20 10 DGCDRN CCOC(=O)c1ccc(CN(C)c2ccc(OC)c(F)c2)nc1 ZINC000828039825 629016830 /nfs/dbraw/zinc/01/68/30/629016830.db2.gz AKGHVTYNJKKHSN-UHFFFAOYSA-N 0 0 318.348 3.042 20 10 DGCDRN CC(C)N(C(=O)CN(C)c1ccc2c(c1)OCO2)C1CCCC1 ZINC000121373289 629041379 /nfs/dbraw/zinc/04/13/79/629041379.db2.gz YHVVEXPMZAUDPI-UHFFFAOYSA-N 0 0 318.417 3.031 20 10 DGCDRN CN1CCCN(C(=O)C2=CC(=O)CS2)c2cc(F)ccc21 ZINC000828497223 629060034 /nfs/dbraw/zinc/06/00/34/629060034.db2.gz TZVCXEMRJROUNV-UHFFFAOYSA-N 0 0 306.362 3.080 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCS[C@@H]1C ZINC000828524395 629062901 /nfs/dbraw/zinc/06/29/01/629062901.db2.gz CALIUBLDZFDEOK-CZUORRHYSA-N 0 0 321.490 3.178 20 10 DGCDRN CC(C)c1ncsc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000828885038 629105417 /nfs/dbraw/zinc/10/54/17/629105417.db2.gz RTCYJCFBOPYIEG-SNVBAGLBSA-N 0 0 320.414 3.039 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(CF)cc1 ZINC000829239925 629143532 /nfs/dbraw/zinc/14/35/32/629143532.db2.gz VUFUNNGMEUXNHR-UHFFFAOYSA-N 0 0 314.360 3.261 20 10 DGCDRN COc1ccc(N(CCC(C)C)C[C@@H]2CCNC(=O)CC2)cc1 ZINC000829352251 629151862 /nfs/dbraw/zinc/15/18/62/629151862.db2.gz AQWDZRBAJZGXRV-INIZCTEOSA-N 0 0 318.461 3.464 20 10 DGCDRN Cc1cc(CC(=O)NCc2cccn2C)c(C)n1-c1ccccc1 ZINC000829360583 629152809 /nfs/dbraw/zinc/15/28/09/629152809.db2.gz YERBKYBBIPZHDR-UHFFFAOYSA-N 0 0 321.424 3.292 20 10 DGCDRN CCOc1ccc(C[NH2+]C2(CC(=O)[O-])CCCCC2)c(O)c1 ZINC000830075451 629222252 /nfs/dbraw/zinc/22/22/52/629222252.db2.gz VUIAAADIOHBJSW-UHFFFAOYSA-N 0 0 307.390 3.058 20 10 DGCDRN CCOc1ccc(O)c(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1 ZINC000830085387 629223798 /nfs/dbraw/zinc/22/37/98/629223798.db2.gz VRXSHUOWUWSTFA-MAZHCROVSA-N 0 0 319.401 3.009 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2C2CCC2)c1O ZINC000830234195 629241948 /nfs/dbraw/zinc/24/19/48/629241948.db2.gz BSBXNIVRDCUHTR-INIZCTEOSA-N 0 0 323.820 3.249 20 10 DGCDRN COCCCn1cc(C)c(NCc2cc(Cl)ccc2O)n1 ZINC000830492442 629277060 /nfs/dbraw/zinc/27/70/60/629277060.db2.gz ROTVBHSQUGLCAN-UHFFFAOYSA-N 0 0 309.797 3.199 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)c2nc(C)cs2)c1 ZINC000830541214 629282483 /nfs/dbraw/zinc/28/24/83/629282483.db2.gz VFAFSUQBEZLNSD-GHMZBOCLSA-N 0 0 320.414 3.147 20 10 DGCDRN C[C@H](Cc1ccco1)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830559758 629284169 /nfs/dbraw/zinc/28/41/69/629284169.db2.gz VFJGGNCTCUGDAU-CYBMUJFWSA-N 0 0 313.397 3.359 20 10 DGCDRN O=C(C1CC2(CC2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000830900415 629318616 /nfs/dbraw/zinc/31/86/16/629318616.db2.gz XKXCNVAWRGYMAH-MRXNPFEDSA-N 0 0 315.413 3.090 20 10 DGCDRN CC1(c2ccccc2)CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000831443539 629377718 /nfs/dbraw/zinc/37/77/18/629377718.db2.gz KURMOPPWVKPLIC-UHFFFAOYSA-N 0 0 308.425 3.392 20 10 DGCDRN CNC(=O)c1ccc(CN(CC2CC2)c2ccc(OC)cc2)cc1 ZINC000831587708 629393260 /nfs/dbraw/zinc/39/32/60/629393260.db2.gz HRSQPMNIXGVYEH-UHFFFAOYSA-N 0 0 324.424 3.471 20 10 DGCDRN COc1ccc(N(CCn2c(C)csc2=O)CC2CC2)cc1 ZINC000831583109 629393416 /nfs/dbraw/zinc/39/34/16/629393416.db2.gz PQRLXDGPEFTEJB-UHFFFAOYSA-N 0 0 318.442 3.143 20 10 DGCDRN CCn1nnc(C)c1CN(CC1CC1)c1ccc(OC)cc1 ZINC000831593497 629394640 /nfs/dbraw/zinc/39/46/40/629394640.db2.gz LEKXMDWBBMRUIV-UHFFFAOYSA-N 0 0 300.406 3.032 20 10 DGCDRN C[C@H](CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCCO1 ZINC000832435579 629480072 /nfs/dbraw/zinc/48/00/72/629480072.db2.gz CGJQHMLTMJWYKQ-KEYYUXOJSA-N 0 0 304.434 3.135 20 10 DGCDRN Cc1cc(CC(=O)NC[C@@H]2CCC=CO2)c(C)n1-c1ccccc1 ZINC000832644623 629501734 /nfs/dbraw/zinc/50/17/34/629501734.db2.gz FHBOVDMKLTVKJK-IBGZPJMESA-N 0 0 324.424 3.446 20 10 DGCDRN Cn1cc(NC(=O)C2=CC(=O)CS2)c(C2CCCCC2)n1 ZINC000833267440 629575514 /nfs/dbraw/zinc/57/55/14/629575514.db2.gz CPYIGVVLPYLWCQ-UHFFFAOYSA-N 0 0 305.403 3.487 20 10 DGCDRN O=C(NCC[C@@H]1CCc2ccccc21)c1c(F)ccc(O)c1O ZINC000833398752 629598278 /nfs/dbraw/zinc/59/82/78/629598278.db2.gz KKXDJVJJAOTBPN-LBPRGKRZSA-N 0 0 315.344 3.087 20 10 DGCDRN CC(C)[N@H+](Cc1c[nH]c(C(=O)[O-])c1)Cc1ccc(N(C)C)cc1 ZINC000833497118 629612367 /nfs/dbraw/zinc/61/23/67/629612367.db2.gz ZXPQCAHCOIYAJS-UHFFFAOYSA-N 0 0 315.417 3.190 20 10 DGCDRN C[N@H+](Cc1cc(Cl)ccc1O)[C@@H](C(=O)[O-])c1ccccc1 ZINC000833694154 629641652 /nfs/dbraw/zinc/64/16/52/629641652.db2.gz BQYONMASPAVBAN-OAHLLOKOSA-N 0 0 305.761 3.303 20 10 DGCDRN COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C(=O)[O-])cc2F)c1 ZINC000833733892 629644157 /nfs/dbraw/zinc/64/41/57/629644157.db2.gz UZBSATRXUVLHGJ-JTQLQIEISA-N 0 0 319.332 3.089 20 10 DGCDRN COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C(=O)[O-])cc2F)c1 ZINC000833733893 629644546 /nfs/dbraw/zinc/64/45/46/629644546.db2.gz UZBSATRXUVLHGJ-SNVBAGLBSA-N 0 0 319.332 3.089 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)Oc3ccccc32)c(O)c1O ZINC000834310281 629689484 /nfs/dbraw/zinc/68/94/84/629689484.db2.gz KCJOIUXZZWRBQB-BXUZGUMPSA-N 0 0 313.353 3.048 20 10 DGCDRN O=C1C[C@H](c2cccc(N[C@H]3CCc4cccc(O)c43)c2)CN1 ZINC000834755385 629773830 /nfs/dbraw/zinc/77/38/30/629773830.db2.gz FVTXGVFFDDIFDA-HOCLYGCPSA-N 0 0 308.381 3.095 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1OC)c1cccc(Cl)c1[O-] ZINC000834880700 629796373 /nfs/dbraw/zinc/79/63/73/629796373.db2.gz OEARSWVGDCYVLJ-CQDKDKBSSA-N 0 0 313.825 3.138 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1cccc(C(F)(F)F)c1[O-] ZINC000834907200 629806173 /nfs/dbraw/zinc/80/61/73/629806173.db2.gz YLSPFBCGMAAMOA-OUJBWJOFSA-N 0 0 303.324 3.223 20 10 DGCDRN CC[C@@H]([NH2+][C@H](CC)c1cc(Cl)cc(Cl)c1[O-])C(=O)NC ZINC000834911201 629806681 /nfs/dbraw/zinc/80/66/81/629806681.db2.gz HUMJELYLSCFIJM-VXGBXAGGSA-N 0 0 319.232 3.264 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C2CC2)C2CCC2)c1 ZINC000834910592 629806930 /nfs/dbraw/zinc/80/69/30/629806930.db2.gz ILFFLLZRTNIWRU-APPDUMDISA-N 0 0 303.402 3.408 20 10 DGCDRN CN(C)c1ccc(/C=C\CN(C)Cc2nccn2C(F)F)cc1 ZINC000835025311 629827569 /nfs/dbraw/zinc/82/75/69/629827569.db2.gz HTCUVASNFQEULR-PLNGDYQASA-N 0 0 320.387 3.489 20 10 DGCDRN COCCN(C/C=C/c1ccc(N(C)C)cc1)CC(F)(F)F ZINC000835027590 629829210 /nfs/dbraw/zinc/82/92/10/629829210.db2.gz NCHWNUMEDRGJSS-SNAWJCMRSA-N 0 0 316.367 3.277 20 10 DGCDRN CN(C)c1ccc(/C=C/CN2CCOC[C@H]2c2ccco2)cc1 ZINC000835030251 629829828 /nfs/dbraw/zinc/82/98/28/629829828.db2.gz WHSABLZGDCIGSK-YZTRRJNXSA-N 0 0 312.413 3.432 20 10 DGCDRN Cc1ccc(C[N@H+](C/C=C/c2ccc(N(C)C)cc2)CCO)o1 ZINC000835050905 629836590 /nfs/dbraw/zinc/83/65/90/629836590.db2.gz GCGRWKOLOFTFEH-SNAWJCMRSA-N 0 0 314.429 3.162 20 10 DGCDRN CC(C)C[N@H+](Cc1cnn(C)c1)Cc1cccc(Cl)c1[O-] ZINC000835077418 629845394 /nfs/dbraw/zinc/84/53/94/629845394.db2.gz SCFKFWYLDBLHGC-UHFFFAOYSA-N 0 0 307.825 3.437 20 10 DGCDRN CC(=O)C(C)(C)COC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000835916773 630031244 /nfs/dbraw/zinc/03/12/44/630031244.db2.gz XQDIONQAQURYRN-UHFFFAOYSA-N 0 0 314.385 3.261 20 10 DGCDRN CC[C@@H]1C[C@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000836244272 630089201 /nfs/dbraw/zinc/08/92/01/630089201.db2.gz QIOKRLTUUAFTLO-CVEARBPZSA-N 0 0 301.434 3.132 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)NCC(C)(F)F)cc1 ZINC000836481065 630120503 /nfs/dbraw/zinc/12/05/03/630120503.db2.gz IEYDGYHGKWMJEK-UHFFFAOYSA-N 0 0 313.392 3.329 20 10 DGCDRN Cc1c(Cl)cncc1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000836706191 630153785 /nfs/dbraw/zinc/15/37/85/630153785.db2.gz LFIYGKLFSQEREK-UHFFFAOYSA-N 0 0 318.808 3.431 20 10 DGCDRN O=C(COCC1CCCC1)NCc1c(O)ccc2c1CCCC2 ZINC000836778865 630161292 /nfs/dbraw/zinc/16/12/92/630161292.db2.gz KIIOPUXZJAHCES-UHFFFAOYSA-N 0 0 317.429 3.094 20 10 DGCDRN COc1ccc(N(CC2CC2)C(=O)/C=C(\C)c2cnccn2)cc1 ZINC000836840171 630172640 /nfs/dbraw/zinc/17/26/40/630172640.db2.gz IFBGSDSWPFECQH-SDNWHVSQSA-N 0 0 323.396 3.332 20 10 DGCDRN Cc1ccc(C(=O)NCC[C@@]2(C)CC2(Cl)Cl)c(O)c1O ZINC000836910450 630183488 /nfs/dbraw/zinc/18/34/88/630183488.db2.gz YXWSMAZYDJWTSV-ZDUSSCGKSA-N 0 0 318.200 3.110 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCc2ccccc2CC1 ZINC000836921945 630188033 /nfs/dbraw/zinc/18/80/33/630188033.db2.gz JUOXYFNYVXCGRJ-CSKARUKUSA-N 0 0 323.392 3.129 20 10 DGCDRN Cc1ccc(C(=O)N2CC3(CCC3)[C@@H]2c2ccco2)c(O)c1O ZINC000837015323 630203028 /nfs/dbraw/zinc/20/30/28/630203028.db2.gz MKAYAHTYSAPFMU-INIZCTEOSA-N 0 0 313.353 3.367 20 10 DGCDRN CC[C@H](CC(F)F)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000837377931 630250111 /nfs/dbraw/zinc/25/01/11/630250111.db2.gz NYHXPEAEPHMFJJ-CYBMUJFWSA-N 0 0 310.388 3.367 20 10 DGCDRN Cc1ccc(C(=O)OCc2cc(C(C)(C)C)on2)c(O)c1O ZINC000837488937 630265750 /nfs/dbraw/zinc/26/57/50/630265750.db2.gz OPLPAJZZRJIMPF-UHFFFAOYSA-N 0 0 305.330 3.049 20 10 DGCDRN COCC1(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCCC1 ZINC000837541160 630272895 /nfs/dbraw/zinc/27/28/95/630272895.db2.gz GGPGDRFEDYIAQZ-CQSZACIVSA-N 0 0 304.434 3.137 20 10 DGCDRN C[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)C1CCCCC1 ZINC000837589236 630280619 /nfs/dbraw/zinc/28/06/19/630280619.db2.gz XLXPFYSAEMZASM-VPUINMBXSA-N 0 0 318.369 3.192 20 10 DGCDRN CCOCC(C)(C)NC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000837726818 630303997 /nfs/dbraw/zinc/30/39/97/630303997.db2.gz TUWSOJKBLFABGJ-UHFFFAOYSA-N 0 0 321.465 3.147 20 10 DGCDRN CCC[C@H]1CCC[C@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000837831618 630316572 /nfs/dbraw/zinc/31/65/72/630316572.db2.gz HBPPCLHANMBNBA-WCQYABFASA-N 0 0 306.358 3.040 20 10 DGCDRN CCN1C(=O)C(C)(C)N[C@H]1c1cc(-c2ccccc2)ccc1O ZINC000840834644 630364147 /nfs/dbraw/zinc/36/41/47/630364147.db2.gz YULWXXZACISOCX-QGZVFWFLSA-N 0 0 310.397 3.288 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)CC(F)(F)F)c1 ZINC000840870836 630369570 /nfs/dbraw/zinc/36/95/70/630369570.db2.gz AHHDFHRTRWRMGR-UWVGGRQHSA-N 0 0 319.323 3.418 20 10 DGCDRN CCN(CC)c1ccc(CNCc2cc(C)n(C)n2)cc1F ZINC000840896556 630374456 /nfs/dbraw/zinc/37/44/56/630374456.db2.gz IVEXJEZODHNSJQ-UHFFFAOYSA-N 0 0 304.413 3.004 20 10 DGCDRN Cc1cc(O)c(CN2CCN(C(=O)C(C)(C)C)CC2)c(Cl)c1 ZINC000840909795 630376139 /nfs/dbraw/zinc/37/61/39/630376139.db2.gz HNCWXAOLSSRBED-UHFFFAOYSA-N 0 0 324.852 3.044 20 10 DGCDRN CNC(=O)c1ccc(C)c(NCc2ccc(N(C)C)cc2C)c1 ZINC000840926662 630379329 /nfs/dbraw/zinc/37/93/29/630379329.db2.gz QYRTXZVHEZUGEB-UHFFFAOYSA-N 0 0 311.429 3.341 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ccc(OCCO)c(C)c1 ZINC000840937672 630380619 /nfs/dbraw/zinc/38/06/19/630380619.db2.gz UNZLPJUOZFHZIV-UHFFFAOYSA-N 0 0 314.429 3.353 20 10 DGCDRN Cc1cccc(CN([C@@H](C)C(=O)OC(C)(C)C)C2CC2)c1O ZINC000840958762 630385950 /nfs/dbraw/zinc/38/59/50/630385950.db2.gz RZELJNDUEJGRDX-ZDUSSCGKSA-N 0 0 305.418 3.395 20 10 DGCDRN COC(=O)[C@H](CC1CC1)NCc1ccc(N2CCCCC2)cc1 ZINC000840958725 630386626 /nfs/dbraw/zinc/38/66/26/630386626.db2.gz RLWYNHPRBOKLKM-SFHVURJKSA-N 0 0 316.445 3.108 20 10 DGCDRN CCCc1nc(C)c(NC(=O)NCCc2ccc(N)cc2)s1 ZINC000841197249 630415587 /nfs/dbraw/zinc/41/55/87/630415587.db2.gz CTDNCYZUJBRTPL-UHFFFAOYSA-N 0 0 318.446 3.350 20 10 DGCDRN C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(N)cc1 ZINC000841299795 630424935 /nfs/dbraw/zinc/42/49/35/630424935.db2.gz OEFLUDIWGRECTC-NXEZZACHSA-N 0 0 301.312 3.464 20 10 DGCDRN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)Nc1ccc(N)cc1 ZINC000841299854 630425002 /nfs/dbraw/zinc/42/50/02/630425002.db2.gz IYCLLCMDJORMSC-IUODEOHRSA-N 0 0 305.422 3.232 20 10 DGCDRN Nc1ccc(NC(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)cc1 ZINC000841301190 630425089 /nfs/dbraw/zinc/42/50/89/630425089.db2.gz FKLJNXDVVSYGRB-DLBZAZTESA-N 0 0 311.385 3.311 20 10 DGCDRN Cc1ccc(N)cc1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000841319451 630427864 /nfs/dbraw/zinc/42/78/64/630427864.db2.gz MOAIDQVTUHQJPM-UHFFFAOYSA-N 0 0 324.428 3.281 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)C1SCCCS1 ZINC000841403234 630435840 /nfs/dbraw/zinc/43/58/40/630435840.db2.gz AKIHERGPOGYEQG-UHFFFAOYSA-N 0 0 323.483 3.083 20 10 DGCDRN Cc1cc(N(C)C)ccc1/C=C1/SC(=S)N(C2CC2)C1=O ZINC000841497391 630442264 /nfs/dbraw/zinc/44/22/64/630442264.db2.gz WPBGLSOSKXZRSL-NTEUORMPSA-N 0 0 318.467 3.425 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H]2CCC[C@H]2C(C)(C)C)c(O)c1 ZINC000841590481 630447012 /nfs/dbraw/zinc/44/70/12/630447012.db2.gz OTJUAUJXYRMVAW-HUUCEWRRSA-N 0 0 320.433 3.415 20 10 DGCDRN Cc1ncc2c(n1)CC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])C2 ZINC000841745737 630461672 /nfs/dbraw/zinc/46/16/72/630461672.db2.gz SMXUNQUEEVZZFQ-YGRLFVJLSA-N 0 0 317.820 3.352 20 10 DGCDRN COc1ccc(C[NH2+][C@@H](CCc2ccccc2)C(=O)[O-])cc1C ZINC000841796144 630465813 /nfs/dbraw/zinc/46/58/13/630465813.db2.gz OAUBAVWEQQKOCY-KRWDZBQOSA-N 0 0 313.397 3.179 20 10 DGCDRN CC[C@H](CCC(=O)[O-])[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000841810119 630466818 /nfs/dbraw/zinc/46/68/18/630466818.db2.gz FRIJIMAOAWPBLE-CQSZACIVSA-N 0 0 310.413 3.405 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@H](CC2CCC2)C(=O)[O-])cc1F ZINC000841815357 630468033 /nfs/dbraw/zinc/46/80/33/630468033.db2.gz DXOPQPMJSMUVEY-MRXNPFEDSA-N 0 0 322.424 3.405 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]C[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000841815700 630468147 /nfs/dbraw/zinc/46/81/47/630468147.db2.gz JHFOQVWWETYKLB-MRXNPFEDSA-N 0 0 306.450 3.369 20 10 DGCDRN CC[C@@H](CC[NH2+]Cc1ccc(N(CC)CC)c(F)c1)C(=O)[O-] ZINC000841820846 630468647 /nfs/dbraw/zinc/46/86/47/630468647.db2.gz VPXMUALZLQDUDH-AWEZNQCLSA-N 0 0 310.413 3.262 20 10 DGCDRN Nc1ccc(CCNC(=O)N[C@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000841836443 630470461 /nfs/dbraw/zinc/47/04/61/630470461.db2.gz OZVXQYBLRLJHRJ-SJORKVTESA-N 0 0 301.434 3.079 20 10 DGCDRN Cc1cccc([C@@H](C)CNC(=O)NCCc2ccc(N)cc2)c1 ZINC000841834409 630470573 /nfs/dbraw/zinc/47/05/73/630470573.db2.gz QRTKXHZUYWRXDJ-HNNXBMFYSA-N 0 0 311.429 3.223 20 10 DGCDRN Nc1ccc(CCNC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1 ZINC000841837797 630470599 /nfs/dbraw/zinc/47/05/99/630470599.db2.gz XUJFFNSVKJMLOH-YQQAZPJKSA-N 0 0 301.434 3.079 20 10 DGCDRN C[C@@H](NC(=O)NCCc1ccc(N)cc1)[C@H](C)c1ccccc1 ZINC000841849505 630471118 /nfs/dbraw/zinc/47/11/18/630471118.db2.gz YGKOANMQMJPZSP-LSDHHAIUSA-N 0 0 311.429 3.303 20 10 DGCDRN C[C@H]1CCc2ccccc2[C@@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841869849 630472501 /nfs/dbraw/zinc/47/25/01/630472501.db2.gz QZHHDHNQMKOXSG-IFXJQAMLSA-N 0 0 323.440 3.434 20 10 DGCDRN Nc1ccc(CCNC(=O)NC[C@@H](c2ccccc2)C2CC2)cc1 ZINC000841908514 630475348 /nfs/dbraw/zinc/47/53/48/630475348.db2.gz WFJGGGDCSNBYSO-IBGZPJMESA-N 0 0 323.440 3.304 20 10 DGCDRN Cc1ccccc1C(C)(C)NC(=O)NCCc1ccc(N)cc1 ZINC000841955455 630476861 /nfs/dbraw/zinc/47/68/61/630476861.db2.gz CJNBYLYYQFKLED-UHFFFAOYSA-N 0 0 311.429 3.354 20 10 DGCDRN C[C@H]1CN(C(=O)NCCc2ccc(N)cc2)[C@@H]1c1ccccc1 ZINC000841955226 630476935 /nfs/dbraw/zinc/47/69/35/630476935.db2.gz WGSGGBQDHLYVPP-KSSFIOAISA-N 0 0 309.413 3.214 20 10 DGCDRN CCC1(CC)CN(C(=O)NCCc2ccc(N)cc2)CCS1 ZINC000841960299 630477126 /nfs/dbraw/zinc/47/71/26/630477126.db2.gz LHZFRAVBCQGMFD-UHFFFAOYSA-N 0 0 321.490 3.129 20 10 DGCDRN Nc1ccc(CCNC(=O)N(Cc2cccs2)C2CC2)cc1 ZINC000841961584 630477139 /nfs/dbraw/zinc/47/71/39/630477139.db2.gz FNNOUDSKXZHXRJ-UHFFFAOYSA-N 0 0 315.442 3.247 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CCCC3(CCCC3)C2)cc1 ZINC000841957725 630477181 /nfs/dbraw/zinc/47/71/81/630477181.db2.gz CTHXCLRMJKYJJH-UHFFFAOYSA-N 0 0 301.434 3.177 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H](CC(C)C)OC ZINC000842187321 630504125 /nfs/dbraw/zinc/50/41/25/630504125.db2.gz UZOKJIJPGBKEJH-MRXNPFEDSA-N 0 0 322.449 3.375 20 10 DGCDRN CC[C@H](NC(=O)NCc1cccc(OC)c1O)[C@H]1CC1(C)C ZINC000842190036 630504734 /nfs/dbraw/zinc/50/47/34/630504734.db2.gz KTLOCMBHOSVIGN-OLZOCXBDSA-N 0 0 306.406 3.025 20 10 DGCDRN CCCNC(=O)c1ccc(NCc2cccc(OC)c2O)cc1 ZINC000842214678 630505759 /nfs/dbraw/zinc/50/57/59/630505759.db2.gz OGAVNDGHRYTVCM-UHFFFAOYSA-N 0 0 314.385 3.153 20 10 DGCDRN Cc1cc(O)c(CN2CCc3cc(Cl)nnc3C2)cc1C ZINC000842616575 630554017 /nfs/dbraw/zinc/55/40/17/630554017.db2.gz GMWLFHNOTVPBLV-UHFFFAOYSA-N 0 0 303.793 3.011 20 10 DGCDRN Cc1ccccc1-n1cc(C[NH2+]Cc2ccc3c(c2)CCO3)cn1 ZINC000842673126 630561710 /nfs/dbraw/zinc/56/17/10/630561710.db2.gz DNKMMKHIGMUUJE-UHFFFAOYSA-N 0 0 319.408 3.405 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)[C@@H](F)C(C)C)C2)cc1 ZINC000842874276 630587874 /nfs/dbraw/zinc/58/78/74/630587874.db2.gz BKGDOKWEJILYCQ-BBRMVZONSA-N 0 0 309.381 3.059 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)/C=C(\C)C3CC3)C2)cc1 ZINC000842877247 630588677 /nfs/dbraw/zinc/58/86/77/630588677.db2.gz BIMSOHDOQNOAIX-GOFCXVBSSA-N 0 0 315.413 3.421 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)C[C@H](C)SC)C2)cc1 ZINC000842877457 630588733 /nfs/dbraw/zinc/58/87/33/630588733.db2.gz AJETWLSTNRYQEM-KBPBESRZSA-N 0 0 323.458 3.206 20 10 DGCDRN CC[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1cccc(Cl)c1[O-] ZINC000842886584 630589654 /nfs/dbraw/zinc/58/96/54/630589654.db2.gz SQBMXTRIQKZHOL-KBPBESRZSA-N 0 0 324.852 3.486 20 10 DGCDRN COc1cccc(CNC(=O)Nc2ccccc2SC)c1O ZINC000104975239 630600568 /nfs/dbraw/zinc/60/05/68/630600568.db2.gz WHVSDEUZUINYFE-UHFFFAOYSA-N 0 0 318.398 3.444 20 10 DGCDRN Cn1c2ccc(OC(=O)[C@@H]3CCC(=O)C3)cc2c2c1CCCC2 ZINC000843020289 630604404 /nfs/dbraw/zinc/60/44/04/630604404.db2.gz DRSQFBYAGXETAL-GFCCVEGCSA-N 0 0 311.381 3.332 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H]1C(=O)[O-] ZINC000843040134 630606222 /nfs/dbraw/zinc/60/62/22/630606222.db2.gz GRAVLDIXAATMNM-QAPCUYQASA-N 0 0 316.445 3.220 20 10 DGCDRN COc1cccc(CNC(=O)Nc2cccc(F)c2F)c1O ZINC000105023239 630615354 /nfs/dbraw/zinc/61/53/54/630615354.db2.gz DCRYNTQKQZLMFY-UHFFFAOYSA-N 0 0 308.284 3.001 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN[C@H]1CC[NH2+]C12CCCC2 ZINC000843129039 630617682 /nfs/dbraw/zinc/61/76/82/630617682.db2.gz PLZRMTAJLUXMBN-ZDUSSCGKSA-N 0 0 315.244 3.463 20 10 DGCDRN Nc1ccc(Cc2noc(-c3ccnn3C3CCCC3)n2)cc1 ZINC000843158948 630622784 /nfs/dbraw/zinc/62/27/84/630622784.db2.gz IZNPRVJJEXUGRM-UHFFFAOYSA-N 0 0 309.373 3.221 20 10 DGCDRN Nc1ccc(Cc2noc(CSCC(F)(F)F)n2)cc1 ZINC000843158972 630623143 /nfs/dbraw/zinc/62/31/43/630623143.db2.gz JQENCPNRRZBWTM-UHFFFAOYSA-N 0 0 303.309 3.038 20 10 DGCDRN CC[C@@H](C)n1nc(-c2nc(Cc3ccc(N)cc3)no2)cc1C ZINC000843160653 630623318 /nfs/dbraw/zinc/62/33/18/630623318.db2.gz ZKTMOURXUAKCIP-LLVKDONJSA-N 0 0 311.389 3.386 20 10 DGCDRN CN(C)c1ccc(CCc2nc(Cc3ccc(N)cc3)no2)cc1 ZINC000843160022 630623352 /nfs/dbraw/zinc/62/33/52/630623352.db2.gz URARRPBVKPTFNE-UHFFFAOYSA-N 0 0 322.412 3.094 20 10 DGCDRN Nc1ccc(Cc2noc(C3C[C@H]4CCC[C@@H](C3)C4=O)n2)cc1 ZINC000843161968 630623983 /nfs/dbraw/zinc/62/39/83/630623983.db2.gz RUXVMQVYHVQNFL-PBWFPOADSA-N 0 0 311.385 3.105 20 10 DGCDRN CCOc1cccc(NC(=S)NCc2ccc(C)cn2)c1 ZINC000843280826 630640946 /nfs/dbraw/zinc/64/09/46/630640946.db2.gz MAIGQTUBUMQTMK-UHFFFAOYSA-N 0 0 301.415 3.275 20 10 DGCDRN CC[C@H](C)C[C@H]1NC(=O)N([C@@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000843307168 630644581 /nfs/dbraw/zinc/64/45/81/630644581.db2.gz CXCCZFSLBWGVBS-HEHGZKQESA-N 0 0 317.433 3.170 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000843416051 630654504 /nfs/dbraw/zinc/65/45/04/630654504.db2.gz OQTWFYCRFFSGON-AAEUAGOBSA-N 0 0 306.362 3.074 20 10 DGCDRN Nc1ccc(CC(=O)N2CCC(c3ccccc3F)CC2)cc1 ZINC000843443387 630659295 /nfs/dbraw/zinc/65/92/95/630659295.db2.gz QMNCPQLHTLMFRT-UHFFFAOYSA-N 0 0 312.388 3.357 20 10 DGCDRN CC1(C)CCC[C@H]1[C@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000843503302 630662908 /nfs/dbraw/zinc/66/29/08/630662908.db2.gz BPXKBSJCOYTBDF-RDJZCZTQSA-N 0 0 300.446 3.486 20 10 DGCDRN COCC1(CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000843527192 630666080 /nfs/dbraw/zinc/66/60/80/630666080.db2.gz OPEIKOVXIUKSNW-UHFFFAOYSA-N 0 0 316.445 3.060 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)CC1(COC)CC1 ZINC000843878948 630702456 /nfs/dbraw/zinc/70/24/56/630702456.db2.gz HPJTYKWOMJESTR-UHFFFAOYSA-N 0 0 305.418 3.338 20 10 DGCDRN Cc1ccc(C(=O)N2CC3(CC=CC3)[C@H]2C(C)C)c(O)c1O ZINC000844096610 630709197 /nfs/dbraw/zinc/70/91/97/630709197.db2.gz OWTWOHYLCLOYNM-MRXNPFEDSA-N 0 0 301.386 3.223 20 10 DGCDRN CCN1C(=O)/C(=C/c2ccc(-n3cccn3)cc2)SC1=S ZINC000844152238 630710887 /nfs/dbraw/zinc/71/08/87/630710887.db2.gz BOGKWMBEZFNPSF-RAXLEYEMSA-N 0 0 315.423 3.093 20 10 DGCDRN Oc1ccccc1CN(Cc1cc2n(n1)CCC2)Cc1ccco1 ZINC000844306570 630717522 /nfs/dbraw/zinc/71/75/22/630717522.db2.gz KDVZVBKNJBIGJB-UHFFFAOYSA-N 0 0 323.396 3.330 20 10 DGCDRN COc1ccc(N(Cc2cccs2)C[C@@H]2CCC(=O)N2)cc1 ZINC000844305652 630717578 /nfs/dbraw/zinc/71/75/78/630717578.db2.gz DPCDEFACCWVNBM-ZDUSSCGKSA-N 0 0 316.426 3.042 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)/C=C(/C)COC)cc1 ZINC000844306794 630717579 /nfs/dbraw/zinc/71/75/79/630717579.db2.gz XGWPEHBKVVYQHQ-QINSGFPZSA-N 0 0 304.434 3.084 20 10 DGCDRN COc1ccc(N(C)CC(=O)N(C2CC2)C2CCCC2)cc1 ZINC000844352862 630720634 /nfs/dbraw/zinc/72/06/34/630720634.db2.gz AMMMNYPDVASOAQ-UHFFFAOYSA-N 0 0 302.418 3.065 20 10 DGCDRN COc1ccc(N(C)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000844353302 630720762 /nfs/dbraw/zinc/72/07/62/630720762.db2.gz LXBKCZZUHMFMRH-UHFFFAOYSA-N 0 0 302.330 3.119 20 10 DGCDRN COc1ccc(N(C)Cc2nc([C@@H](C)OCC(C)C)no2)cc1 ZINC000844353035 630720777 /nfs/dbraw/zinc/72/07/77/630720777.db2.gz OVYURJUUECWQQU-CYBMUJFWSA-N 0 0 319.405 3.448 20 10 DGCDRN CC[C@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)[C@H](C)CO1 ZINC000844734869 630819779 /nfs/dbraw/zinc/81/97/79/630819779.db2.gz ZYWGZEJXQRMJJA-DOMZBBRYSA-N 0 0 307.434 3.395 20 10 DGCDRN CC[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)[C@@H](C)CO1 ZINC000844734871 630819997 /nfs/dbraw/zinc/81/99/97/630819997.db2.gz ZYWGZEJXQRMJJA-SWLSCSKDSA-N 0 0 307.434 3.395 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)c2ccc(C)cc2)cc1 ZINC000844851866 630943210 /nfs/dbraw/zinc/94/32/10/630943210.db2.gz JLCZOBWVJZGJMK-UHFFFAOYSA-N 0 0 312.413 3.212 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)c2cc(C)oc2C)cc1 ZINC000844852168 630943242 /nfs/dbraw/zinc/94/32/42/630943242.db2.gz MZTZWTILQKWHPN-UHFFFAOYSA-N 0 0 316.401 3.113 20 10 DGCDRN C[C@@H](CCc1ccco1)NC(=O)NCc1cc(Cl)ccc1O ZINC000844860445 630948433 /nfs/dbraw/zinc/94/84/33/630948433.db2.gz BXLMEKVGSWSMMT-NSHDSACASA-N 0 0 322.792 3.459 20 10 DGCDRN Cc1cc(C(=O)COC(=O)[C@@H]2C[C@H]2C)c(C)n1-c1ccccc1 ZINC000005405674 631019195 /nfs/dbraw/zinc/01/91/95/631019195.db2.gz PFLWWVWOCULFLL-MLGOLLRUSA-N 0 0 311.381 3.476 20 10 DGCDRN Cc1ccsc1CCNC(=O)NCc1cc(Cl)ccc1O ZINC000845093681 631071178 /nfs/dbraw/zinc/07/11/78/631071178.db2.gz ZRZWKTXZIDHXFH-UHFFFAOYSA-N 0 0 324.833 3.457 20 10 DGCDRN Cc1ccncc1[C@@H](C)NC(=O)NCc1cc(Cl)ccc1O ZINC000845089777 631071640 /nfs/dbraw/zinc/07/16/40/631071640.db2.gz RAQNGJWZAWHIST-LLVKDONJSA-N 0 0 319.792 3.309 20 10 DGCDRN CSc1cccnc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000845114381 631080016 /nfs/dbraw/zinc/08/00/16/631080016.db2.gz JICSOONAJRXZCW-UHFFFAOYSA-N 0 0 315.442 3.142 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H]2C[C@H]2CC(C)(C)C)c(O)c1 ZINC000845383300 631170189 /nfs/dbraw/zinc/17/01/89/631170189.db2.gz BWORKYLSRULFQD-GXTWGEPZSA-N 0 0 306.406 3.025 20 10 DGCDRN CC1(C)OC(=O)c2c1ccnc2NCc1cc(Cl)ccc1O ZINC000845709592 631190506 /nfs/dbraw/zinc/19/05/06/631190506.db2.gz VXDPKIBSTXXPDY-UHFFFAOYSA-N 0 0 318.760 3.458 20 10 DGCDRN CCCNC(=O)c1ccc(NCc2cc(Cl)ccc2O)nc1 ZINC000845709208 631190667 /nfs/dbraw/zinc/19/06/67/631190667.db2.gz NYFGBQFHESTZTK-UHFFFAOYSA-N 0 0 319.792 3.193 20 10 DGCDRN CCCC(C)(C)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000845748424 631194336 /nfs/dbraw/zinc/19/43/36/631194336.db2.gz QQYQGJMEYSSRGS-UHFFFAOYSA-N 0 0 322.424 3.309 20 10 DGCDRN COC/C(C)=C\C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000845792810 631196652 /nfs/dbraw/zinc/19/66/52/631196652.db2.gz KCYRUAJDBSXQSZ-UVTDQMKNSA-N 0 0 315.369 3.107 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@]1(CO)CCc2ccccc21 ZINC000846010779 631205732 /nfs/dbraw/zinc/20/57/32/631205732.db2.gz IJXAKZVAAXJLAJ-GOSISDBHSA-N 0 0 317.816 3.012 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000846042702 631207739 /nfs/dbraw/zinc/20/77/39/631207739.db2.gz NXCATQGGBQBFJT-MRXNPFEDSA-N 0 0 313.800 3.480 20 10 DGCDRN C[C@@H](CO)C1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000846058095 631208685 /nfs/dbraw/zinc/20/86/85/631208685.db2.gz LDGHDVOVGYRXJH-JTQLQIEISA-N 0 0 301.789 3.025 20 10 DGCDRN COc1cccc(CN2CCOc3cc(F)c(F)cc32)c1O ZINC000846124135 631211010 /nfs/dbraw/zinc/21/10/10/631211010.db2.gz ZPGMZDAFAAFHGK-UHFFFAOYSA-N 0 0 307.296 3.078 20 10 DGCDRN Cc1cc(C[N@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)ccc1N(C)C ZINC000846270820 631218124 /nfs/dbraw/zinc/21/81/24/631218124.db2.gz NRUOCNPFPIVCGC-SFHVURJKSA-N 0 0 324.424 3.245 20 10 DGCDRN Cc1cc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H]2C)ccc1N1CCCCC1 ZINC000846282721 631221054 /nfs/dbraw/zinc/22/10/54/631221054.db2.gz ASGAHTDIMMJNNF-DOTOQJQBSA-N 0 0 316.445 3.280 20 10 DGCDRN CC(=O)[C@@H]1C[C@H](CC(=O)NCc2cc(Cl)ccc2O)C1(C)C ZINC000846472922 631249649 /nfs/dbraw/zinc/24/96/49/631249649.db2.gz GSEHXGDWPFZXBM-OCCSQVGLSA-N 0 0 323.820 3.303 20 10 DGCDRN CCC[C@@H]1C[C@@H](C(=O)NCc2cc(Cl)ccc2O)CCO1 ZINC000846472953 631249824 /nfs/dbraw/zinc/24/98/24/631249824.db2.gz GYBKROWZLLHXRU-SMDDNHRTSA-N 0 0 311.809 3.257 20 10 DGCDRN Cc1nc(CCC(=O)NCc2cc(Cl)ccc2O)cs1 ZINC000846475442 631250353 /nfs/dbraw/zinc/25/03/53/631250353.db2.gz HJVDFBITAPFSDC-UHFFFAOYSA-N 0 0 310.806 3.060 20 10 DGCDRN CC[C@H](OC1CCCC1)C(=O)NCc1cc(Cl)ccc1O ZINC000846476654 631250861 /nfs/dbraw/zinc/25/08/61/631250861.db2.gz OBNDPSXXZAWEGR-HNNXBMFYSA-N 0 0 311.809 3.400 20 10 DGCDRN Cc1ncsc1CCC(=O)NCc1cc(Cl)ccc1O ZINC000846477610 631251370 /nfs/dbraw/zinc/25/13/70/631251370.db2.gz UCYRMCGVQWAGEL-UHFFFAOYSA-N 0 0 310.806 3.060 20 10 DGCDRN Cc1cc(C)c2c(c1)N(C(=O)c1ccc(C)c(O)c1O)CCO2 ZINC000846485402 631252290 /nfs/dbraw/zinc/25/22/90/631252290.db2.gz PZTGIXVBNLJCFU-UHFFFAOYSA-N 0 0 313.353 3.062 20 10 DGCDRN Cc1nsc(C)c1CN1CCOc2cc(N(C)C)ccc21 ZINC000846838348 631322988 /nfs/dbraw/zinc/32/29/88/631322988.db2.gz YOIOJDHSWDHIMW-UHFFFAOYSA-N 0 0 303.431 3.225 20 10 DGCDRN C/C(=C\c1cccnc1)C(=O)N(C[C@H]1CCCO1)c1ccncc1 ZINC000846879770 631337902 /nfs/dbraw/zinc/33/79/02/631337902.db2.gz QELYTPNBRWMSQJ-NKAIQICCSA-N 0 0 323.396 3.092 20 10 DGCDRN CN(C[C@H](O)C(F)(F)F)c1ccc(-c2nccs2)cc1 ZINC000846992751 631376235 /nfs/dbraw/zinc/37/62/35/631376235.db2.gz MITGSVSGIJGFPJ-NSHDSACASA-N 0 0 302.321 3.170 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CC3(CC3(F)F)C2)cc1 ZINC000847292525 631455208 /nfs/dbraw/zinc/45/52/08/631455208.db2.gz ZRHBXFAGSNBQKV-UHFFFAOYSA-N 0 0 323.387 3.083 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(C(F)F)nc2)cc1 ZINC000847303444 631456900 /nfs/dbraw/zinc/45/69/00/631456900.db2.gz CFNPYZXPXXSVCG-UHFFFAOYSA-N 0 0 319.355 3.357 20 10 DGCDRN C/C(=C\c1cccnc1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000847339303 631462882 /nfs/dbraw/zinc/46/28/82/631462882.db2.gz SFMYFDBXNYRYTH-DTQAZKPQSA-N 0 0 321.424 3.402 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC2(CCCC2)O1 ZINC000847449319 631478345 /nfs/dbraw/zinc/47/83/45/631478345.db2.gz OSKMJDHWGLRFNR-HNNXBMFYSA-N 0 0 318.417 3.025 20 10 DGCDRN Cc1nn(C(C)C)cc1C(=O)NCCCSc1nccs1 ZINC000847487296 631480983 /nfs/dbraw/zinc/48/09/83/631480983.db2.gz ATELOZPLOOUQCM-UHFFFAOYSA-N 0 0 324.475 3.141 20 10 DGCDRN Cc1cnc2cc(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)ccn12 ZINC000847760590 631534350 /nfs/dbraw/zinc/53/43/50/631534350.db2.gz MDPMPLILRUIDPH-CQSZACIVSA-N 0 0 322.412 3.200 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000848559411 631692657 /nfs/dbraw/zinc/69/26/57/631692657.db2.gz WIOKSPKHWCNLHF-WVZRYYJFSA-N 0 0 324.440 3.070 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)c1cc(F)cc(F)c1[O-] ZINC000848568306 631697004 /nfs/dbraw/zinc/69/70/04/631697004.db2.gz FFVQIIGRHYWGQT-IUIKQTSFSA-N 0 0 310.388 3.338 20 10 DGCDRN CCc1cccc(CN(C)[C@H](C(=O)OC)c2ccccc2)c1O ZINC000848887262 631772246 /nfs/dbraw/zinc/77/22/46/631772246.db2.gz ROUFASVICCDYAS-KRWDZBQOSA-N 0 0 313.397 3.301 20 10 DGCDRN CCc1cccc(CN2CCCN2C(=O)OC(C)(C)C)c1O ZINC000848908791 631782774 /nfs/dbraw/zinc/78/27/74/631782774.db2.gz DJKDZZUZFLPDQW-UHFFFAOYSA-N 0 0 306.406 3.312 20 10 DGCDRN CCc1cccc(CN[C@H](C)c2noc(COC(C)C)n2)c1O ZINC000848913246 631784579 /nfs/dbraw/zinc/78/45/79/631784579.db2.gz SKAWDTKJJRYPLJ-GFCCVEGCSA-N 0 0 319.405 3.113 20 10 DGCDRN Cc1cc(O)c(CN[C@@H](C)C(=O)OCc2ccccc2)cc1C ZINC000848920920 631787601 /nfs/dbraw/zinc/78/76/01/631787601.db2.gz MWUIGOZYYHIVIC-HNNXBMFYSA-N 0 0 313.397 3.231 20 10 DGCDRN [NH2+]=C(NCc1cc(Cl)cc(Cl)c1[O-])NC1CCCC1 ZINC000849028305 631812764 /nfs/dbraw/zinc/81/27/64/631812764.db2.gz HGJWDUJXJOAOGP-UHFFFAOYSA-N 0 0 302.205 3.256 20 10 DGCDRN COCc1csc(/C=C2\SC(N3CCCCC3)=NC2=O)c1 ZINC000849178515 631853362 /nfs/dbraw/zinc/85/33/62/631853362.db2.gz ICNUUNVACXZMOT-JYRVWZFOSA-N 0 0 322.455 3.351 20 10 DGCDRN COc1ccnc(CNC(=S)Nc2c(C)cccc2C)c1F ZINC000849297855 631883748 /nfs/dbraw/zinc/88/37/48/631883748.db2.gz YIDYVITVHZIBDM-UHFFFAOYSA-N 0 0 319.405 3.333 20 10 DGCDRN CSCCNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108443620 631885602 /nfs/dbraw/zinc/88/56/02/631885602.db2.gz XQVNFUQKKYSGJX-UHFFFAOYSA-N 0 0 321.490 3.085 20 10 DGCDRN CCN(CC)c1ccc(CNc2nnc(C3CC3)n2C)cc1F ZINC000849347145 631899278 /nfs/dbraw/zinc/89/92/78/631899278.db2.gz TWZGCKLOHGTJII-UHFFFAOYSA-N 0 0 317.412 3.290 20 10 DGCDRN Cc1cc(O)c(CNc2ccc3c(c2)CCN(C)C3=O)cc1C ZINC000849347639 631899657 /nfs/dbraw/zinc/89/96/57/631899657.db2.gz SNXILRLULQLVSS-UHFFFAOYSA-N 0 0 310.397 3.249 20 10 DGCDRN CO[C@H](COC(=O)/C=C\c1ccc(O)c(O)c1)C1CCCCC1 ZINC000849745221 631958022 /nfs/dbraw/zinc/95/80/22/631958022.db2.gz MOOIRZDUCYFZPG-SECOEOQKSA-N 0 0 320.385 3.250 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N(C)CC2CC2)cc1F ZINC000109018834 632019155 /nfs/dbraw/zinc/01/91/55/632019155.db2.gz WMSGBTQTCXFVMN-UHFFFAOYSA-N 0 0 307.413 3.223 20 10 DGCDRN Cc1cc(NC(=O)[C@H](C)Sc2ncc(Cl)s2)on1 ZINC000849998324 632024991 /nfs/dbraw/zinc/02/49/91/632024991.db2.gz DLTSYEFALZGREI-LURJTMIESA-N 0 0 303.796 3.212 20 10 DGCDRN O=C(COC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21)c1ccc(O)c(O)c1 ZINC000850303919 632108588 /nfs/dbraw/zinc/10/85/88/632108588.db2.gz BKHVFYZDHZDTSH-LAQFHYBYSA-N 0 0 318.369 3.040 20 10 DGCDRN CC(C)(C)N1CC[C@H]1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000850343899 632119431 /nfs/dbraw/zinc/11/94/31/632119431.db2.gz SZDOIQQNUDFXLW-JTQLQIEISA-N 0 0 300.805 3.147 20 10 DGCDRN CCN(CC)c1ccc(CN[C@@H]2C[C@H](C)n3ncnc32)cc1F ZINC000850351657 632121544 /nfs/dbraw/zinc/12/15/44/632121544.db2.gz GLIBISCRTYDPEO-SWLSCSKDSA-N 0 0 317.412 3.059 20 10 DGCDRN CCN(CC)c1ccc(CN[C@H]2C[C@@H](C)n3ncnc32)cc1F ZINC000850351654 632121591 /nfs/dbraw/zinc/12/15/91/632121591.db2.gz GLIBISCRTYDPEO-DOMZBBRYSA-N 0 0 317.412 3.059 20 10 DGCDRN CC(C)(C)C(F)(F)CNCc1ccc(N2CCOCC2)cc1 ZINC000850409898 632143581 /nfs/dbraw/zinc/14/35/81/632143581.db2.gz IVWKNSYILFPYTG-UHFFFAOYSA-N 0 0 312.404 3.294 20 10 DGCDRN CC[C@H](COCC1CC1)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000850494620 632170803 /nfs/dbraw/zinc/17/08/03/632170803.db2.gz RDLCDGKDFTWRRA-IUODEOHRSA-N 0 0 321.417 3.035 20 10 DGCDRN C[C@H]([NH2+][C@H]1COc2cc(F)ccc2C1)c1cc(F)cc(F)c1[O-] ZINC000850538095 632186378 /nfs/dbraw/zinc/18/63/78/632186378.db2.gz VQNYVEBQBHKXGI-TVQRCGJNSA-N 0 0 323.314 3.464 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850544609 632188412 /nfs/dbraw/zinc/18/84/12/632188412.db2.gz YSLZWTUQKILWHL-QFYYESIMSA-N 0 0 314.341 3.344 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)c1cc(Cl)cc(Cl)c1[O-] ZINC000850548215 632189060 /nfs/dbraw/zinc/18/90/60/632189060.db2.gz ZBJUFJVEVNTHSE-JOYOIKCWSA-N 0 0 317.216 3.018 20 10 DGCDRN COC(=O)N(C)CC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000850548351 632189105 /nfs/dbraw/zinc/18/91/05/632189105.db2.gz OZWCCOYJAZHNAP-MRVPVSSYSA-N 0 0 321.204 3.048 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2C(C)(C)C2(F)F)c1 ZINC000850553205 632191136 /nfs/dbraw/zinc/19/11/36/632191136.db2.gz UAFAJBYLDWUHQA-TVQRCGJNSA-N 0 0 313.344 3.121 20 10 DGCDRN C[C@H]([NH2+]C[C@H](O)[C@@H](C)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000850574647 632199539 /nfs/dbraw/zinc/19/95/39/632199539.db2.gz ZXQDAALQVVJWIR-PRXAMGSTSA-N 0 0 321.367 3.486 20 10 DGCDRN CN(c1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000850751275 632215296 /nfs/dbraw/zinc/21/52/96/632215296.db2.gz ZDSOWBJESZBUDZ-QGZVFWFLSA-N 0 0 310.401 3.011 20 10 DGCDRN Cc1cc(NC(=O)NCc2ccc3c(c2)CCCN3C)ccc1N ZINC000850779651 632223159 /nfs/dbraw/zinc/22/31/59/632223159.db2.gz YDPJYTPKPNEDIC-UHFFFAOYSA-N 0 0 324.428 3.281 20 10 DGCDRN CCN(CC)c1ccc(CN(C)Cc2cc(OC)no2)cc1 ZINC000851717240 632474394 /nfs/dbraw/zinc/47/43/94/632474394.db2.gz UXBVOYJYHPQURC-UHFFFAOYSA-N 0 0 303.406 3.161 20 10 DGCDRN CCN(Cc1cn(C(C)(C)C)nn1)c1ccc(OC)c(OC)c1 ZINC000851829038 632504663 /nfs/dbraw/zinc/50/46/63/632504663.db2.gz VMTCZUQBNFDUBA-UHFFFAOYSA-N 0 0 318.421 3.077 20 10 DGCDRN COc1ccc(N(CCC(OC)OC)Cc2ccco2)cc1F ZINC000851849128 632507664 /nfs/dbraw/zinc/50/76/64/632507664.db2.gz RVFHHQKCHPXBBU-UHFFFAOYSA-N 0 0 323.364 3.443 20 10 DGCDRN COCCN(C[C@@H]1C[C@H]2C[C@H]2C1)c1ccc(OC)c(OC)c1 ZINC000851846751 632507959 /nfs/dbraw/zinc/50/79/59/632507959.db2.gz HAPMVIKYGPWHTO-QDMKHBRRSA-N 0 0 305.418 3.203 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)N[C@@H]3C=CCC3)cc2)CC1 ZINC000852080892 632550750 /nfs/dbraw/zinc/55/07/50/632550750.db2.gz HQNPFIUVWPPLBN-QGZVFWFLSA-N 0 0 313.445 3.441 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)CC(C)C)C2)cc1 ZINC000852222627 632574301 /nfs/dbraw/zinc/57/43/01/632574301.db2.gz IJFYYUMAEHOABP-CABCVRRESA-N 0 0 319.449 3.008 20 10 DGCDRN CC[C@H](Cc1ccc(F)cc1)NC(=O)NCc1ccccc1O ZINC000852442198 632603541 /nfs/dbraw/zinc/60/35/41/632603541.db2.gz BOPJETDRFNLJQC-MRXNPFEDSA-N 0 0 316.376 3.352 20 10 DGCDRN CCCN(CCC)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852452816 632605620 /nfs/dbraw/zinc/60/56/20/632605620.db2.gz GRJPMHNWIGKFRO-OAHLLOKOSA-N 0 0 319.449 3.106 20 10 DGCDRN O=C(NCc1ccccc1O)c1ccc(Br)s1 ZINC000081777282 660197680 /nfs/dbraw/zinc/19/76/80/660197680.db2.gz XDJXWLSCQCBVDK-UHFFFAOYSA-N 0 0 312.188 3.146 20 10 DGCDRN O=C(/C=C/c1cccnc1)N1CCN(C2CC2)c2ccc(F)cc21 ZINC000185267680 660212367 /nfs/dbraw/zinc/21/23/67/660212367.db2.gz WYIUGLYCCDGEPD-FPYGCLRLSA-N 0 0 323.371 3.250 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccco1 ZINC000268805803 660250904 /nfs/dbraw/zinc/25/09/04/660250904.db2.gz JFHMSPYRYBEKQJ-UHFFFAOYSA-N 0 0 300.402 3.325 20 10 DGCDRN COc1cccc2c1N(C(=O)/C=C/c1scnc1C)CCC2 ZINC000186115499 660268055 /nfs/dbraw/zinc/26/80/55/660268055.db2.gz FNEFVDOLAJLAIC-CMDGGOBGSA-N 0 0 314.410 3.453 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2cccc3c2CCCN3)cc1 ZINC000325256536 660281202 /nfs/dbraw/zinc/28/12/02/660281202.db2.gz MKBSALNLRSODOA-UHFFFAOYSA-N 0 0 323.440 3.383 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccnc2ccccc21 ZINC000186400586 660381981 /nfs/dbraw/zinc/38/19/81/660381981.db2.gz AIJGQXSSKGWBNU-GFCCVEGCSA-N 0 0 322.364 3.007 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N(C)C2CCCCC2)cc1F ZINC000057646812 660440740 /nfs/dbraw/zinc/44/07/40/660440740.db2.gz OYWDWPGMXFGZJD-UHFFFAOYSA-N 0 0 307.413 3.366 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(F)ccc1O)[C@@H](c1ccccc1)N(C)C ZINC000186457370 660443407 /nfs/dbraw/zinc/44/34/07/660443407.db2.gz WESWTOPVHCWSRG-UGSOOPFHSA-N 0 0 302.393 3.312 20 10 DGCDRN COc1cccc2c1N(C(=O)/C=C\c1cncc(F)c1)CCC2 ZINC000255064198 660477360 /nfs/dbraw/zinc/47/73/60/660477360.db2.gz DQCSKGFXANOKSQ-FPLPWBNLSA-N 0 0 312.344 3.222 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@H]3CCC[C@H]32)cc1F ZINC000073915814 660574931 /nfs/dbraw/zinc/57/49/31/660574931.db2.gz UFXRULGUWBASAK-GDBMZVCRSA-N 0 0 319.424 3.366 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCC(C)(C)C(C)C)c1 ZINC000186886920 660580555 /nfs/dbraw/zinc/58/05/55/660580555.db2.gz CEQRGHHOMHJCSA-GFCCVEGCSA-N 0 0 308.422 3.443 20 10 DGCDRN CO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708073632 660915968 /nfs/dbraw/zinc/91/59/68/660915968.db2.gz UBWRPQPAAANZDU-MGCOHNPYSA-N 0 0 320.614 3.075 20 10 DGCDRN C[C@H](O)C[C@H](C)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708097942 660918058 /nfs/dbraw/zinc/91/80/58/660918058.db2.gz ATUDMRWGGNALMD-YUMQZZPRSA-N 0 0 322.630 3.057 20 10 DGCDRN COC(C)(C)C[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708100186 660918116 /nfs/dbraw/zinc/91/81/16/660918116.db2.gz SQCNXNPSGSRLAH-UHFFFAOYSA-N 0 0 322.630 3.323 20 10 DGCDRN CC[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])[C@@H](C)O ZINC000708173083 660918842 /nfs/dbraw/zinc/91/88/42/660918842.db2.gz VCBRGYZCAXHVKV-HQJQHLMTSA-N 0 0 322.630 3.057 20 10 DGCDRN CSC1CC([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000708270845 660919513 /nfs/dbraw/zinc/91/95/13/660919513.db2.gz VYFDSRPRQICZAN-UHFFFAOYSA-N 0 0 302.237 3.138 20 10 DGCDRN CC(C)(C)C[C@@H](NC(=O)c1cccc(O)c1O)C(F)(F)F ZINC000187220559 660970383 /nfs/dbraw/zinc/97/03/83/660970383.db2.gz XEZZZEOJSURUHL-SNVBAGLBSA-N 0 0 305.296 3.195 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c(O)c1 ZINC000792780447 660984525 /nfs/dbraw/zinc/98/45/25/660984525.db2.gz PUHPJCMIOVMFRF-YWPYICTPSA-N 0 0 306.406 3.025 20 10 DGCDRN C[C@@H]1CO[C@@H](C)CN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792793573 660985160 /nfs/dbraw/zinc/98/51/60/660985160.db2.gz GHQYUBZJEWBFQL-NEPJUHHUSA-N 0 0 316.367 3.381 20 10 DGCDRN COc1ccc(CNC(=O)NCc2ccc(C)cc2C)c(O)c1 ZINC000792827867 660987182 /nfs/dbraw/zinc/98/71/82/660987182.db2.gz FYLZEEACMMFIHX-UHFFFAOYSA-N 0 0 314.385 3.017 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)c(O)c1 ZINC000792934978 660995087 /nfs/dbraw/zinc/99/50/87/660995087.db2.gz BJFIMYPRNCAJIH-LALPHHSUSA-N 0 0 306.406 3.025 20 10 DGCDRN C[C@@H]1CC[C@@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000792956775 660996864 /nfs/dbraw/zinc/99/68/64/660996864.db2.gz MJYHESWQYOXRBS-NVXWUHKLSA-N 0 0 313.445 3.298 20 10 DGCDRN CCCC1(CNC(=O)NCc2ccc(OC)cc2O)CCC1 ZINC000792999051 660999485 /nfs/dbraw/zinc/99/94/85/660999485.db2.gz YOASPGXIRDGJOF-UHFFFAOYSA-N 0 0 306.406 3.170 20 10 DGCDRN COC(=O)CC1([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCCC1 ZINC000793232581 661015763 /nfs/dbraw/zinc/01/57/63/661015763.db2.gz YWZONOGOWQKFQO-UHFFFAOYSA-N 0 0 315.772 3.150 20 10 DGCDRN CC1(C)CC[C@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000806018583 661037121 /nfs/dbraw/zinc/03/71/21/661037121.db2.gz HBGTZVWCVDKBSC-MRXNPFEDSA-N 0 0 302.418 3.259 20 10 DGCDRN COc1ccc(CNC(=O)c2ccc(C)cc2Cl)c(O)c1 ZINC000794380986 661081783 /nfs/dbraw/zinc/08/17/83/661081783.db2.gz IZIZLVWTXAAWFJ-UHFFFAOYSA-N 0 0 305.761 3.293 20 10 DGCDRN COc1ccc(CNC(=O)c2cc(Cl)ccc2F)c(O)c1 ZINC000794376961 661081808 /nfs/dbraw/zinc/08/18/08/661081808.db2.gz NSNBGVRFOJTMHO-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN CC[C@@H](C(=O)NCc1ccc(OC)cc1O)c1ccc(F)cc1 ZINC000794381230 661081889 /nfs/dbraw/zinc/08/18/89/661081889.db2.gz NCWKMYMUTARNJN-MRXNPFEDSA-N 0 0 317.360 3.350 20 10 DGCDRN CCCc1nc(C)c(C(=O)NCc2ccc(OC)cc2O)s1 ZINC000794377800 661081978 /nfs/dbraw/zinc/08/19/78/661081978.db2.gz WKJFPZAUNUMYEZ-UHFFFAOYSA-N 0 0 320.414 3.048 20 10 DGCDRN COc1ccc(CNC(=O)c2cc(O)c3ccccc3c2)c(O)c1 ZINC000794390039 661082513 /nfs/dbraw/zinc/08/25/13/661082513.db2.gz FFUXHLDVMNRFPL-UHFFFAOYSA-N 0 0 323.348 3.190 20 10 DGCDRN COc1ccc(CNC(=O)c2cc3ccc(C)cc3[nH]2)c(O)c1 ZINC000794389531 661082693 /nfs/dbraw/zinc/08/26/93/661082693.db2.gz PQGGINSPTQKJDS-UHFFFAOYSA-N 0 0 310.353 3.121 20 10 DGCDRN COc1ccc(CNC(=O)/C=C/c2ccc(Cl)cc2)c(O)c1 ZINC000794389384 661082704 /nfs/dbraw/zinc/08/27/04/661082704.db2.gz MNDQEHQYMPSNEE-RUDMXATFSA-N 0 0 317.772 3.384 20 10 DGCDRN CC(C)c1nnc(CN(Cc2ccc(N(C)C)cc2)C(C)C)[nH]1 ZINC000794274470 661075963 /nfs/dbraw/zinc/07/59/63/661075963.db2.gz HGUZBVUIYUVRMH-UHFFFAOYSA-N 0 0 315.465 3.405 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@](C)(CC)OC)cc1 ZINC000794903344 661113050 /nfs/dbraw/zinc/11/30/50/661113050.db2.gz TUZJKQZTGDYVKB-SFHVURJKSA-N 0 0 306.450 3.306 20 10 DGCDRN COc1ccc(CNc2cc(C)nc(-c3ccccn3)n2)c(O)c1 ZINC000795283608 661138425 /nfs/dbraw/zinc/13/84/25/661138425.db2.gz DLTANNYADKDPBS-UHFFFAOYSA-N 0 0 322.368 3.173 20 10 DGCDRN Cc1ccc(N2C(=O)/C(=C\c3cnn(C)c3)SC2=S)cc1 ZINC000021957179 655580756 /nfs/dbraw/zinc/58/07/56/655580756.db2.gz BWFXDMSEAAOFEP-NTUHNPAUSA-N 0 0 315.423 3.134 20 10 DGCDRN COc1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1Cl ZINC000177659393 655611855 /nfs/dbraw/zinc/61/18/55/655611855.db2.gz DZWUSCGFNCLGMB-UHFFFAOYSA-N 0 0 307.733 3.321 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(Cl)cn2)c1 ZINC000175863469 655614955 /nfs/dbraw/zinc/61/49/55/655614955.db2.gz RXBCFEPAAKWJSO-VIFPVBQESA-N 0 0 321.764 3.332 20 10 DGCDRN COc1cccc(CNC(=O)c2cccc(F)c2Cl)c1O ZINC000175928564 655635357 /nfs/dbraw/zinc/63/53/57/655635357.db2.gz SANQWISCIWRLMK-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CC[C@H](C)CC2)c1 ZINC000247285433 655660188 /nfs/dbraw/zinc/66/01/88/655660188.db2.gz ZQWMXFBUVDHCFO-AVGNSLFASA-N 0 0 306.406 3.340 20 10 DGCDRN COc1ccccc1/C(C)=C\C(=O)N(C)Cc1ccccc1O ZINC000255309427 655697456 /nfs/dbraw/zinc/69/74/56/655697456.db2.gz JZSALVPHSFNKJW-OWBHPGMISA-N 0 0 311.381 3.463 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc3ccccc3[nH]2)c1 ZINC000157848133 655703221 /nfs/dbraw/zinc/70/32/21/655703221.db2.gz RBXGXWSPUXAVCS-LLVKDONJSA-N 0 0 310.353 3.373 20 10 DGCDRN C[C@@](NC(=O)N1Cc2cccc(O)c2C1)(C1CC1)C(F)(F)F ZINC000933560521 655720281 /nfs/dbraw/zinc/72/02/81/655720281.db2.gz UNYIPXVAUJYDLB-CQSZACIVSA-N 0 0 314.307 3.148 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)CC2CCC(OC)CC2)c1 ZINC000089487166 655731891 /nfs/dbraw/zinc/73/18/91/655731891.db2.gz WJYDOFZSWUDMOC-HSBZDZAISA-N 0 0 321.417 3.173 20 10 DGCDRN COCC(C)(C)C[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715747265 655738259 /nfs/dbraw/zinc/73/82/59/655738259.db2.gz YUAXKPWXTJZITQ-UHFFFAOYSA-N 0 0 320.202 3.056 20 10 DGCDRN O=C(/C=C\c1cncc(F)c1)N1CCSc2ccccc21 ZINC000255552190 655794714 /nfs/dbraw/zinc/79/47/14/655794714.db2.gz LXMXEBBQHCSIRR-WAYWQWQTSA-N 0 0 300.358 3.373 20 10 DGCDRN C[C@@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)c1cc(F)ccc1O ZINC000176982941 655885846 /nfs/dbraw/zinc/88/58/46/655885846.db2.gz NRIWZRLSKLVOSX-NXEZZACHSA-N 0 0 316.332 3.424 20 10 DGCDRN Cc1ccc(C(=O)N(C)[C@H](C)c2ccc(F)cc2)c(O)c1O ZINC000179400846 655891900 /nfs/dbraw/zinc/89/19/00/655891900.db2.gz KIHBPLBUAWJYRN-LLVKDONJSA-N 0 0 303.333 3.379 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN(CC(F)F)C2CC2)c1O ZINC000177149896 655915127 /nfs/dbraw/zinc/91/51/27/655915127.db2.gz BXKMENXDPRCAAY-UHFFFAOYSA-N 0 0 303.736 3.478 20 10 DGCDRN CCCCCCC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000177274043 655919430 /nfs/dbraw/zinc/91/94/30/655919430.db2.gz DSPQRJXVPQXGAA-UHFFFAOYSA-N 0 0 322.424 3.453 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC(C)(C)CCO)cc1 ZINC000177752202 655944872 /nfs/dbraw/zinc/94/48/72/655944872.db2.gz VYJLEMPJDCFRJX-UHFFFAOYSA-N 0 0 314.429 3.233 20 10 DGCDRN C[C@H](NCc1cc[nH]n1)c1ccc(N2CCCCC2)c(F)c1 ZINC000177954797 655950860 /nfs/dbraw/zinc/95/08/60/655950860.db2.gz CZKUFIQDXVKLSE-ZDUSSCGKSA-N 0 0 302.397 3.390 20 10 DGCDRN Oc1cc2c(cc1CNc1cccc(-c3ncco3)c1)OCO2 ZINC000160395377 655959601 /nfs/dbraw/zinc/95/96/01/655959601.db2.gz ZJLDCTIPCRWWLX-UHFFFAOYSA-N 0 0 310.309 3.388 20 10 DGCDRN Cc1cccc(Br)c1C(=O)NCc1ccccc1O ZINC000311802613 656015811 /nfs/dbraw/zinc/01/58/11/656015811.db2.gz KPQRVMDMGXWGED-UHFFFAOYSA-N 0 0 320.186 3.393 20 10 DGCDRN CC[C@@](C)(C[NH2+]Cc1cc(Br)cc(F)c1[O-])OC ZINC000715720394 661214250 /nfs/dbraw/zinc/21/42/50/661214250.db2.gz XUGOGYOGMFZDAH-ZDUSSCGKSA-N 0 0 320.202 3.199 20 10 DGCDRN CS[C@H](C)C[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715745263 661214260 /nfs/dbraw/zinc/21/42/60/661214260.db2.gz LLNCSGHQNBELBM-SSDOTTSWSA-N 0 0 308.216 3.135 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[NH+]1CCC(F)CC1 ZINC000715803667 661214508 /nfs/dbraw/zinc/21/45/08/661214508.db2.gz ICYRWZUBACNJHQ-UHFFFAOYSA-N 0 0 306.150 3.228 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[NH2+][C@]12C[C@H]1CCC2 ZINC000715812252 661214915 /nfs/dbraw/zinc/21/49/15/661214915.db2.gz JNHWZJHRQVZXTO-NOZJJQNGSA-N 0 0 300.171 3.326 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H](CO)CC1 ZINC000293856716 656055110 /nfs/dbraw/zinc/05/51/10/656055110.db2.gz BXBBLMOKRGORBJ-SNVBAGLBSA-N 0 0 304.217 3.293 20 10 DGCDRN C[C@H]1CCC[C@]1(O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000328185135 656055815 /nfs/dbraw/zinc/05/58/15/656055815.db2.gz OITMHFVOAZCODW-XPTSAGLGSA-N 0 0 304.217 3.340 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCCOCC1 ZINC000180984510 656096110 /nfs/dbraw/zinc/09/61/10/656096110.db2.gz SRVBTDOSMGIHKI-CQSZACIVSA-N 0 0 318.442 3.455 20 10 DGCDRN CCCc1csc(NC(=O)/C=C/c2ccc(O)c(O)c2)n1 ZINC000181300180 656098382 /nfs/dbraw/zinc/09/83/82/656098382.db2.gz ZKGJFOPDIRFAPE-FNORWQNLSA-N 0 0 304.371 3.159 20 10 DGCDRN C[C@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000184912566 656122019 /nfs/dbraw/zinc/12/20/19/656122019.db2.gz POFYIRWCXUABBK-MJBXVCDLSA-N 0 0 324.440 3.070 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CCOC(C)C)cc1F ZINC000066841467 656147901 /nfs/dbraw/zinc/14/79/01/656147901.db2.gz SDXCCLNCXSFXDE-UHFFFAOYSA-N 0 0 310.413 3.103 20 10 DGCDRN COc1cc(NC(=O)c2ccc(C)c(O)c2O)ccc1Cl ZINC000194893983 656205949 /nfs/dbraw/zinc/20/59/49/656205949.db2.gz YCAUAEXWXHUEHA-UHFFFAOYSA-N 0 0 307.733 3.321 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CNc2ccccc2Cl)cc1 ZINC000198405128 656255834 /nfs/dbraw/zinc/25/58/34/656255834.db2.gz JMPCPEKPZBRMSQ-UHFFFAOYSA-N 0 0 317.820 3.134 20 10 DGCDRN O=C(c1ccccc1)c1ccc(O)c(C[NH+]2CCCCC2)c1[O-] ZINC000199914170 656265808 /nfs/dbraw/zinc/26/58/08/656265808.db2.gz JVKKRJHEAJLHHL-UHFFFAOYSA-N 0 0 311.381 3.315 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Nc2ccccn2)cc1F ZINC000066906895 656361517 /nfs/dbraw/zinc/36/15/17/656361517.db2.gz HBGCNPBXUSWBGZ-UHFFFAOYSA-N 0 0 316.380 3.389 20 10 DGCDRN Nc1ccc(CC(=O)NCc2cccc(C(F)(F)F)c2)cc1 ZINC000037555024 661265551 /nfs/dbraw/zinc/26/55/51/661265551.db2.gz IRPOYVXKDNGZEA-UHFFFAOYSA-N 0 0 308.303 3.147 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCC2(C3CC3)CCC2)cc1 ZINC000162958525 656535581 /nfs/dbraw/zinc/53/55/81/656535581.db2.gz HUOMSZKCDQSFSB-UHFFFAOYSA-N 0 0 301.434 3.132 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3cccc(F)c3C#N)ccc21 ZINC000187276984 661274449 /nfs/dbraw/zinc/27/44/49/661274449.db2.gz JJVDUKRZEICCHT-UHFFFAOYSA-N 0 0 323.371 3.010 20 10 DGCDRN COc1cccc(CNC(=O)N[C@H](C)CCC(C)(C)C)c1O ZINC000074326626 661278411 /nfs/dbraw/zinc/27/84/11/661278411.db2.gz ZOYSAJGYTKQHLC-GFCCVEGCSA-N 0 0 308.422 3.415 20 10 DGCDRN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(N)cc1 ZINC000236826982 656783008 /nfs/dbraw/zinc/78/30/08/656783008.db2.gz XJZILQVTJRHRAO-SFHVURJKSA-N 0 0 321.380 3.172 20 10 DGCDRN O=C(NCc1ccccc1O)c1cc(C(F)(F)F)ccc1F ZINC000319168892 656914627 /nfs/dbraw/zinc/91/46/27/656914627.db2.gz JCRNQEJTNRMPRA-UHFFFAOYSA-N 0 0 313.250 3.480 20 10 DGCDRN COc1ccccc1/C(C)=C/C(=O)N(C)Cc1ccccc1O ZINC000067154243 657025839 /nfs/dbraw/zinc/02/58/39/657025839.db2.gz JZSALVPHSFNKJW-WYMLVPIESA-N 0 0 311.381 3.463 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C(F)(F)c2ccccc2)cc1 ZINC000047296467 657054505 /nfs/dbraw/zinc/05/45/05/657054505.db2.gz LDFNCCDQZWTAEE-UHFFFAOYSA-N 0 0 304.340 3.161 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc2[nH]cnc2c1 ZINC000041365499 657073897 /nfs/dbraw/zinc/07/38/97/657073897.db2.gz RPTXUZQMDSLCTA-UHFFFAOYSA-N 0 0 320.396 3.093 20 10 DGCDRN C[C@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1OC(F)F ZINC000319629210 657109924 /nfs/dbraw/zinc/10/99/24/657109924.db2.gz PDQXKNKOHXBFMO-NSHDSACASA-N 0 0 320.339 3.290 20 10 DGCDRN CN(C)c1ccc(/C=C2\SC(=S)N(C3CC3)C2=O)cc1 ZINC000048402582 657216226 /nfs/dbraw/zinc/21/62/26/657216226.db2.gz HFCUXLTWZKXRNA-LCYFTJDESA-N 0 0 304.440 3.116 20 10 DGCDRN CCOc1ncccc1NCc1cc(Cl)cc(OC)c1O ZINC000228676568 658001366 /nfs/dbraw/zinc/00/13/66/658001366.db2.gz CGQKVIRSUHVWEW-UHFFFAOYSA-N 0 0 308.765 3.460 20 10 DGCDRN CO[C@@H]1CCN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000752474338 658122710 /nfs/dbraw/zinc/12/27/10/658122710.db2.gz UWGJJWFPISRTQX-CYBMUJFWSA-N 0 0 304.415 3.017 20 10 DGCDRN COc1cccc([C@@H]2Nc3cc(Cl)ccc3C(=O)N2C)c1O ZINC000054440497 658313666 /nfs/dbraw/zinc/31/36/66/658313666.db2.gz OCWSPHLUUNEROB-OAHLLOKOSA-N 0 0 318.760 3.251 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cnc2ccc(F)cc2c1 ZINC000179134375 658334172 /nfs/dbraw/zinc/33/41/72/658334172.db2.gz JJBIUQRGGICHMQ-UHFFFAOYSA-N 0 0 310.328 3.352 20 10 DGCDRN CCOc1ccc(NC(=O)c2cccc(O)c2O)cc1OCC ZINC000322530020 658535096 /nfs/dbraw/zinc/53/50/96/658535096.db2.gz WLSADEBLRCLYKM-UHFFFAOYSA-N 0 0 317.341 3.148 20 10 DGCDRN COc1ccc(N(CC(=O)NC(C)C)Cc2ccccc2)cc1 ZINC000057623525 659020877 /nfs/dbraw/zinc/02/08/77/659020877.db2.gz FTHDQPLJGPXAMR-UHFFFAOYSA-N 0 0 312.413 3.226 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N3CCCCCC3)ccc21 ZINC000057660752 659022179 /nfs/dbraw/zinc/02/21/79/659022179.db2.gz HPQQCVIQGWPPLX-UHFFFAOYSA-N 0 0 301.434 3.155 20 10 DGCDRN C[C@@H]1C[C@@H](C)CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000057646714 659023251 /nfs/dbraw/zinc/02/32/51/659023251.db2.gz IBLPDEJGOPRDCY-CHWSQXEVSA-N 0 0 307.413 3.079 20 10 DGCDRN CCC(CC)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000058455721 659081073 /nfs/dbraw/zinc/08/10/73/659081073.db2.gz WIFJNWVDODWTFR-UHFFFAOYSA-N 0 0 306.475 3.292 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)s1 ZINC000058768486 659105678 /nfs/dbraw/zinc/10/56/78/659105678.db2.gz BEIRMZCRUJRMBU-UHFFFAOYSA-N 0 0 300.427 3.369 20 10 DGCDRN COc1ccc(N(Cc2cccs2)Cc2nncn2C)cc1 ZINC000170723717 659229361 /nfs/dbraw/zinc/22/93/61/659229361.db2.gz RNLUXYMSARULAM-UHFFFAOYSA-N 0 0 314.414 3.092 20 10 DGCDRN COc1cccc(CNC(=O)c2ccc(Cl)cc2F)c1O ZINC000170795995 659238294 /nfs/dbraw/zinc/23/82/94/659238294.db2.gz IYLYELFBNIEJRN-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(F)cc2)c1 ZINC000171720571 659295764 /nfs/dbraw/zinc/29/57/64/659295764.db2.gz JWROSJAABDAMJA-NSHDSACASA-N 0 0 318.348 3.100 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CCSC[C@H]2C)cc1 ZINC000172357416 659331996 /nfs/dbraw/zinc/33/19/96/659331996.db2.gz GXZZLNJCNWONPL-CQSZACIVSA-N 0 0 321.490 3.180 20 10 DGCDRN CCCc1ncc(C(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000172697047 659350044 /nfs/dbraw/zinc/35/00/44/659350044.db2.gz XPPALNCRTDOZHN-UHFFFAOYSA-N 0 0 303.431 3.092 20 10 DGCDRN C[C@@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@H]1C ZINC000173290121 659377650 /nfs/dbraw/zinc/37/76/50/659377650.db2.gz FZBAKMPCJMPPML-CVEARBPZSA-N 0 0 313.445 3.393 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CC[C@@H]2CC[C@@H](C)O2)cc1 ZINC000175529132 659923979 /nfs/dbraw/zinc/92/39/79/659923979.db2.gz AIOXMBSMLLRUGN-QAPCUYQASA-N 0 0 318.461 3.497 20 10 DGCDRN Cc1ccc(C(=O)N[C@H](c2ncccc2C)C(C)C)c(O)c1O ZINC000179501105 659930669 /nfs/dbraw/zinc/93/06/69/659930669.db2.gz IQSMHGPMJCPXSR-AWEZNQCLSA-N 0 0 314.385 3.237 20 10 DGCDRN CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccc(C)c(O)c2O)C1 ZINC000179525992 659932910 /nfs/dbraw/zinc/93/29/10/659932910.db2.gz XQVIIBDPAPVKJH-NWDGAFQWSA-N 0 0 309.431 3.152 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)C[C@H](C)C3CC3)CC2)cc1 ZINC000068017692 659934689 /nfs/dbraw/zinc/93/46/89/659934689.db2.gz CEFYMWMRTUPXIM-HNNXBMFYSA-N 0 0 316.445 3.170 20 10 DGCDRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)Cc1ccc(N)cc1 ZINC000237864458 659945709 /nfs/dbraw/zinc/94/57/09/659945709.db2.gz YAVNJFXYHWWQPE-UHFFFAOYSA-N 0 0 320.396 3.253 20 10 DGCDRN Nc1ccc(CC(=O)NCCOc2cccc3ccccc32)cc1 ZINC000237901006 659947883 /nfs/dbraw/zinc/94/78/83/659947883.db2.gz IDKCSOJLSRRGHL-UHFFFAOYSA-N 0 0 320.392 3.160 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCCc2ccccc21 ZINC000180588700 659965499 /nfs/dbraw/zinc/96/54/99/659965499.db2.gz HTOFSFLZQXCOJH-PXUDHTSWSA-N 0 0 309.365 3.305 20 10 DGCDRN COc1cc(N(C)Cc2cccnc2C)cc(OC)c1OC ZINC000180755535 659970494 /nfs/dbraw/zinc/97/04/94/659970494.db2.gz ZAGXVJHHDPEPKV-UHFFFAOYSA-N 0 0 302.374 3.052 20 10 DGCDRN CCCc1cnc(NC(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000180834287 659972338 /nfs/dbraw/zinc/97/23/38/659972338.db2.gz QOASWLNZNJJDOP-UHFFFAOYSA-N 0 0 318.446 3.483 20 10 DGCDRN COC(=O)COc1ccc(N(C)Cc2ccc(F)c(F)c2)cc1 ZINC000183803717 660139507 /nfs/dbraw/zinc/13/95/07/660139507.db2.gz KMMOKNYFOMXPJR-UHFFFAOYSA-N 0 0 321.323 3.153 20 10 DGCDRN CSc1cncc(NCc2ccc(N3CCCC3)cc2)n1 ZINC000183917722 660147659 /nfs/dbraw/zinc/14/76/59/660147659.db2.gz DMNYTGVOVFDCLZ-UHFFFAOYSA-N 0 0 300.431 3.411 20 10 DGCDRN COc1cc(N(C)Cc2cc(C)cc(C)n2)cc(OC)c1OC ZINC000929707086 661330675 /nfs/dbraw/zinc/33/06/75/661330675.db2.gz IRWMOOVWUHOZFX-UHFFFAOYSA-N 0 0 316.401 3.361 20 10 DGCDRN CCN(Cc1cc(C)nnc1C)c1ccc(OC)c(OC)c1 ZINC000929897978 661348626 /nfs/dbraw/zinc/34/86/26/661348626.db2.gz QAFXCBKSGRGTGE-UHFFFAOYSA-N 0 0 301.390 3.137 20 10 DGCDRN COc1cccc(CNC(=O)NC2C[C@@H](C)C[C@H](C)C2)c1O ZINC000074384645 661349356 /nfs/dbraw/zinc/34/93/56/661349356.db2.gz OAXSJPPVFHEHKP-RYUDHWBXSA-N 0 0 306.406 3.025 20 10 DGCDRN CC(C)[C@H](NC(=O)NCc1cccc(Cl)c1O)C(F)(F)F ZINC000931037438 661447367 /nfs/dbraw/zinc/44/73/67/661447367.db2.gz BFHBABAAGBXYDQ-NSHDSACASA-N 0 0 324.730 3.432 20 10 DGCDRN COc1ccc(N(CC(C)C)C(=O)/C=C\c2cn(C)cn2)cc1 ZINC000931106673 661452333 /nfs/dbraw/zinc/45/23/33/661452333.db2.gz PKBSLPHXNRSYEM-YHYXMXQVSA-N 0 0 313.401 3.131 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2Cc3c[nH]nc3[C@@H](C)C2)c1O ZINC000931456965 661478516 /nfs/dbraw/zinc/47/85/16/661478516.db2.gz CYOFLFYXNYNZFL-VIFPVBQESA-N 0 0 319.792 3.091 20 10 DGCDRN O=C(Nc1ccc2c(c1)CCOC2)N1Cc2cccc(O)c2C1 ZINC000931944245 661524676 /nfs/dbraw/zinc/52/46/76/661524676.db2.gz NBHHMXMQIBTCRS-UHFFFAOYSA-N 0 0 310.353 3.013 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@](C)(C2CC2)C(F)(F)F)c1 ZINC000933565359 661641518 /nfs/dbraw/zinc/64/15/18/661641518.db2.gz QSCQRIABFJTWOP-AWEZNQCLSA-N 0 0 316.323 3.231 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000934706558 661728295 /nfs/dbraw/zinc/72/82/95/661728295.db2.gz NILDVNLLACQGLD-FUHWJXTLSA-N 0 0 317.429 3.479 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(C(F)F)ncn1 ZINC000934706546 661728329 /nfs/dbraw/zinc/72/83/29/661728329.db2.gz MWSUEYRVGQEMHT-UHFFFAOYSA-N 0 0 321.327 3.172 20 10 DGCDRN Cc1ccccc1[C@@H](C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000935310113 661776328 /nfs/dbraw/zinc/77/63/28/661776328.db2.gz IGOGGGXXUCVQSP-UONOGXRCSA-N 0 0 313.397 3.257 20 10 DGCDRN CC(C)[C@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000935465425 661788129 /nfs/dbraw/zinc/78/81/29/661788129.db2.gz QURHKTZAWHSNHH-QILLFSRXSA-N 0 0 318.461 3.381 20 10 DGCDRN CC1(C(=O)NCc2cccc(Br)c2O)CC=CC1 ZINC000935662335 661800130 /nfs/dbraw/zinc/80/01/30/661800130.db2.gz DFRMVMGUDBWWHK-UHFFFAOYSA-N 0 0 310.191 3.127 20 10 DGCDRN CC1(CCC(=O)NCc2cc(Br)ccc2O)CC1 ZINC000935958622 661821399 /nfs/dbraw/zinc/82/13/99/661821399.db2.gz GFRZZMQFJYVFSG-UHFFFAOYSA-N 0 0 312.207 3.351 20 10 DGCDRN Cc1ccc2c(c1)SCCCN2C(=O)/C=C/c1cn(C)cn1 ZINC000936039354 661828436 /nfs/dbraw/zinc/82/84/36/661828436.db2.gz KNLXPAQNBARNFM-FNORWQNLSA-N 0 0 313.426 3.271 20 10 DGCDRN O=C(Nc1cccc(N2CCOCC2)c1)c1ccccc1Cl ZINC000041374095 661833930 /nfs/dbraw/zinc/83/39/30/661833930.db2.gz VIPAKYHNVQTGAD-UHFFFAOYSA-N 0 0 316.788 3.429 20 10 DGCDRN Cc1cccc2c(CC(=O)N(C)Cc3ccccc3O)c[nH]c21 ZINC000155814444 661852954 /nfs/dbraw/zinc/85/29/54/661852954.db2.gz UHXNQAPCPXJPQO-UHFFFAOYSA-N 0 0 308.381 3.383 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2cccc3ccc(C)nc32)c1 ZINC000156454316 661862735 /nfs/dbraw/zinc/86/27/35/661862735.db2.gz OOLQFOPWFUGUNM-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN O=C(CSc1nccs1)Nc1ccccc1OC(F)F ZINC000047241882 661873787 /nfs/dbraw/zinc/87/37/87/661873787.db2.gz KTTJLTOURHQDKV-UHFFFAOYSA-N 0 0 316.354 3.475 20 10 DGCDRN C[C@H](CC(=O)NCc1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000158987983 661881136 /nfs/dbraw/zinc/88/11/36/661881136.db2.gz CMFMQXLRFYFYLV-LLVKDONJSA-N 0 0 303.333 3.047 20 10 DGCDRN CC[C@H](CCO)NC(=O)c1sccc1-n1c(C)ccc1C ZINC000159066867 661882323 /nfs/dbraw/zinc/88/23/23/661882323.db2.gz FPVBVSDEWGQGRP-CYBMUJFWSA-N 0 0 306.431 3.046 20 10 DGCDRN O=C(CCCn1cccc1)NCCCSc1nccs1 ZINC000159517572 661889665 /nfs/dbraw/zinc/88/96/65/661889665.db2.gz YBJRCWSECZBDNW-UHFFFAOYSA-N 0 0 309.460 3.023 20 10 DGCDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nccs1 ZINC000048874305 661896593 /nfs/dbraw/zinc/89/65/93/661896593.db2.gz QQNAXSCACAHZCU-UHFFFAOYSA-N 0 0 309.372 3.091 20 10 DGCDRN CSC[C@H](O)CN1CCCc2cc(OC(F)(F)F)ccc21 ZINC000187953381 661909113 /nfs/dbraw/zinc/90/91/13/661909113.db2.gz OCHJLVOZAQBLNZ-LLVKDONJSA-N 0 0 321.364 3.062 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cc(Cl)c[nH]1 ZINC000075159827 661917902 /nfs/dbraw/zinc/91/79/02/661917902.db2.gz DNGOIGRCJMAGDN-UHFFFAOYSA-N 0 0 304.777 3.183 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000075499360 661933538 /nfs/dbraw/zinc/93/35/38/661933538.db2.gz YQMLAWXGSZZGBB-DOTOQJQBSA-N 0 0 301.434 3.227 20 10 DGCDRN CN(Cc1ncnn1C)c1ccc(OCc2ccccc2)cc1 ZINC000189644920 661985784 /nfs/dbraw/zinc/98/57/84/661985784.db2.gz JROYLCUSEQZZNI-UHFFFAOYSA-N 0 0 308.385 3.031 20 10 DGCDRN COc1cc(O)c(CNc2cnn([C@@H](C)C3CC3)c2)cc1OC ZINC000189747927 661989977 /nfs/dbraw/zinc/98/99/77/661989977.db2.gz ISTNCCOAMWXSKI-NSHDSACASA-N 0 0 317.389 3.189 20 10 DGCDRN COc1ccc2[nH]cc(CC(=O)N(C)Cc3ccccc3O)c2c1 ZINC000077258402 662018366 /nfs/dbraw/zinc/01/83/66/662018366.db2.gz VKLMTRMBILNZDF-UHFFFAOYSA-N 0 0 324.380 3.083 20 10 DGCDRN Cc1ccccc1[C@@H]1C[C@H]1NC(=O)N(C)Cc1ccccc1O ZINC000077850277 662042355 /nfs/dbraw/zinc/04/23/55/662042355.db2.gz ARSFEELHBNZWIE-DLBZAZTESA-N 0 0 310.397 3.398 20 10 DGCDRN CSCC[C@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000077997905 662049384 /nfs/dbraw/zinc/04/93/84/662049384.db2.gz HNPFAYVXBVMZDZ-ZDUSSCGKSA-N 0 0 321.490 3.010 20 10 DGCDRN C=Cc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000191866458 662082745 /nfs/dbraw/zinc/08/27/45/662082745.db2.gz IGIVVZLUGNMTGP-UHFFFAOYSA-N 0 0 322.408 3.301 20 10 DGCDRN CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cc(F)ccc1O ZINC000078762659 662084268 /nfs/dbraw/zinc/08/42/68/662084268.db2.gz NTMFBPFYQWYSIR-HNNXBMFYSA-N 0 0 306.381 3.075 20 10 DGCDRN C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])NC(=O)OC(C)(C)C ZINC000192689095 662108403 /nfs/dbraw/zinc/10/84/03/662108403.db2.gz IAXFMPLXHXSMSP-GHMZBOCLSA-N 0 0 312.385 3.095 20 10 DGCDRN O=S(=O)(Nc1ccc(O)cc1)c1ccc2c(c1)CCCC2 ZINC000192718346 662109423 /nfs/dbraw/zinc/10/94/23/662109423.db2.gz ROTOOVRRKWTRCI-UHFFFAOYSA-N 0 0 303.383 3.072 20 10 DGCDRN CC(=O)c1cc(F)cc(C[N@@H+](C[C@@H](C)O)C2CCCCC2)c1[O-] ZINC000079410992 662110038 /nfs/dbraw/zinc/11/00/38/662110038.db2.gz CKRJBLJFZIEDJY-GFCCVEGCSA-N 0 0 323.408 3.249 20 10 DGCDRN Cc1noc(C)c1C=C1SC(NC2CCCCC2)=NC1=O ZINC000192888032 662114531 /nfs/dbraw/zinc/11/45/31/662114531.db2.gz MOAKAJFJJZRCHC-JYRVWZFOSA-N 0 0 305.403 3.184 20 10 DGCDRN CC(C)OCc1ccc(NC(=O)c2cccc(O)c2O)cc1 ZINC000192990158 662119377 /nfs/dbraw/zinc/11/93/77/662119377.db2.gz HFOYKQVABQXXFU-UHFFFAOYSA-N 0 0 301.342 3.275 20 10 DGCDRN O=C(Nc1ccc(-c2ccccc2)cn1)c1cccc(O)c1O ZINC000192988376 662119404 /nfs/dbraw/zinc/11/94/04/662119404.db2.gz WAQFKMCGBVKMEK-UHFFFAOYSA-N 0 0 306.321 3.412 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Nc2nccs2)cc1 ZINC000080069384 662129577 /nfs/dbraw/zinc/12/95/77/662129577.db2.gz KFXQNNXWULQPNZ-UHFFFAOYSA-N 0 0 304.419 3.311 20 10 DGCDRN Cc1ccccc1C[C@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000193393461 662132907 /nfs/dbraw/zinc/13/29/07/662132907.db2.gz KMSVAQWCHBUJHT-HNNXBMFYSA-N 0 0 312.413 3.473 20 10 DGCDRN Cc1cc(CN2CCO[C@H](C(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000193450366 662134549 /nfs/dbraw/zinc/13/45/49/662134549.db2.gz XOXIORDIWXLAES-AWEZNQCLSA-N 0 0 313.388 3.464 20 10 DGCDRN Cc1cc(C(=O)Nc2nc[nH]n2)c(C)n1-c1cccc(Cl)c1 ZINC000194118940 662157795 /nfs/dbraw/zinc/15/77/95/662157795.db2.gz YXJRNWBANYKWCL-UHFFFAOYSA-N 0 0 315.764 3.118 20 10 DGCDRN COCCN(Cc1cccc(F)c1)c1ccc(OC)c(OC)c1 ZINC000081155810 662161732 /nfs/dbraw/zinc/16/17/32/662161732.db2.gz ZQEJEBJGENVZTQ-UHFFFAOYSA-N 0 0 319.376 3.496 20 10 DGCDRN Cc1cc(C(=O)Nc2nc[nH]n2)c(C)n1-c1ccc(Cl)cc1 ZINC000194660897 662170952 /nfs/dbraw/zinc/17/09/52/662170952.db2.gz XAJGLZNYBUILPR-UHFFFAOYSA-N 0 0 315.764 3.118 20 10 DGCDRN CCOC(=O)[C@H](NCc1cc(Cl)ccc1O)c1ccccc1 ZINC000194749201 662172676 /nfs/dbraw/zinc/17/26/76/662172676.db2.gz VIMPUXGJEOHPRN-MRXNPFEDSA-N 0 0 319.788 3.440 20 10 DGCDRN Cc1c(Cl)cccc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000194848471 662174689 /nfs/dbraw/zinc/17/46/89/662174689.db2.gz XEWFSUNTEYJGBY-SNVBAGLBSA-N 0 0 319.788 3.421 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCC1CCOCC1 ZINC000194974002 662176073 /nfs/dbraw/zinc/17/60/73/662176073.db2.gz DDQWDNRGXPZLCV-UHFFFAOYSA-N 0 0 318.442 3.312 20 10 DGCDRN CO[C@@H](C)CC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000195446223 662189735 /nfs/dbraw/zinc/18/97/35/662189735.db2.gz OLVQNLSOFVBFDP-HNNXBMFYSA-N 0 0 318.461 3.497 20 10 DGCDRN Cc1n[nH]c(C)c1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000718292312 662252145 /nfs/dbraw/zinc/25/21/45/662252145.db2.gz RVMIBQVIBIYPPA-UHFFFAOYSA-N 0 0 300.189 3.329 20 10 DGCDRN CN(C)c1ccc(NC(=O)Cc2ccc(N)cc2)cc1Cl ZINC000037768854 662252903 /nfs/dbraw/zinc/25/29/03/662252903.db2.gz NTDDMLBHQSUDFK-UHFFFAOYSA-N 0 0 303.793 3.169 20 10 DGCDRN CCOc1cccc(CN2CCC[C@H]2C(=O)OC(C)(C)C)c1O ZINC000093102545 662344276 /nfs/dbraw/zinc/34/42/76/662344276.db2.gz MGTOGTAVNRPRIX-AWEZNQCLSA-N 0 0 321.417 3.097 20 10 DGCDRN CCCc1cc(NCc2cccc(Cl)c2O)n2ncnc2n1 ZINC000897392176 685310858 /nfs/dbraw/zinc/31/08/58/685310858.db2.gz QHXMRUPTMQIRCV-UHFFFAOYSA-N 0 0 317.780 3.048 20 10 DGCDRN CCO[C@@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000140398108 685077685 /nfs/dbraw/zinc/07/76/85/685077685.db2.gz IWVLPACCZRIYKZ-GOSISDBHSA-N 0 0 312.413 3.147 20 10 DGCDRN Cc1cccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000145466757 685086579 /nfs/dbraw/zinc/08/65/79/685086579.db2.gz SRWKUENCURXQCN-MRXNPFEDSA-N 0 0 324.424 3.323 20 10 DGCDRN C[C@@H](NC(=O)c1ccsc1)c1ccc(N2CCOCC2)cc1 ZINC000145564633 685087351 /nfs/dbraw/zinc/08/73/51/685087351.db2.gz FCMQMFSBXLCFQU-CYBMUJFWSA-N 0 0 316.426 3.076 20 10 DGCDRN Cc1cc(C(=O)NCc2ccccc2O)ccc1Br ZINC000160426477 685099936 /nfs/dbraw/zinc/09/99/36/685099936.db2.gz LAQSTMFUNWBPCM-UHFFFAOYSA-N 0 0 320.186 3.393 20 10 DGCDRN CCOC(=O)Cc1sc(-c2ccc(N(C)C)cc2)nc1C ZINC000314698501 685129248 /nfs/dbraw/zinc/12/92/48/685129248.db2.gz SQUCGHMGHNPSJS-UHFFFAOYSA-N 0 0 304.415 3.290 20 10 DGCDRN COC[C@@]1(C)CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000381392518 685157366 /nfs/dbraw/zinc/15/73/66/685157366.db2.gz SJTNWUJTXMMHGI-AWEZNQCLSA-N 0 0 314.223 3.013 20 10 DGCDRN CCOC(=O)c1cnc(Sc2ccc3c(c2)OCCO3)s1 ZINC000385825750 685174547 /nfs/dbraw/zinc/17/45/47/685174547.db2.gz SKDLFARIKKZNSD-UHFFFAOYSA-N 0 0 323.395 3.242 20 10 DGCDRN CO[C@H]([C@H](C)[NH2+]Cc1cccc(Br)c1[O-])C1CC1 ZINC000388204391 685187911 /nfs/dbraw/zinc/18/79/11/685187911.db2.gz CPNVWVHNSULXRF-LKFCYVNXSA-N 0 0 314.223 3.058 20 10 DGCDRN C[C@@H]1C[C@@H](C[NH2+]Cc2cccc(Br)c2[O-])CCO1 ZINC000388683370 685190785 /nfs/dbraw/zinc/19/07/85/685190785.db2.gz ISFRGNWGMVMELF-MNOVXSKESA-N 0 0 314.223 3.059 20 10 DGCDRN C[C@H]([NH2+]Cc1cccc(Br)c1[O-])[C@@H]1CCCOC1 ZINC000388942503 685191620 /nfs/dbraw/zinc/19/16/20/685191620.db2.gz GOROMJCEFTXFTJ-CMPLNLGQSA-N 0 0 314.223 3.059 20 10 DGCDRN CCCN1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000389394075 685193620 /nfs/dbraw/zinc/19/36/20/685193620.db2.gz OJXRDFSQZNXCCJ-GFCCVEGCSA-N 0 0 303.233 3.273 20 10 DGCDRN Cc1cnn(C)c1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000394082748 685221041 /nfs/dbraw/zinc/22/10/41/685221041.db2.gz JRHAQIXJFUOOAL-UHFFFAOYSA-N 0 0 300.189 3.031 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H](CO)C1CCCC1 ZINC000395095378 685224952 /nfs/dbraw/zinc/22/49/52/685224952.db2.gz BWNXJMPROHZOCJ-ZDUSSCGKSA-N 0 0 304.217 3.340 20 10 DGCDRN C[C@@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000398187764 685234940 /nfs/dbraw/zinc/23/49/40/685234940.db2.gz YPNLTPUOXPBHOJ-RDTXWAMCSA-N 0 0 324.428 3.053 20 10 DGCDRN C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2O)CN1C(=O)OC(C)(C)C ZINC000399181849 685240073 /nfs/dbraw/zinc/24/00/73/685240073.db2.gz LWKFJBOEJGBVLO-UKRRQHHQSA-N 0 0 320.433 3.270 20 10 DGCDRN C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)cc1 ZINC001620779991 1191861591 /nfs/dbraw/zinc/86/15/91/1191861591.db2.gz VTAMGSFFNCMMKL-LLVKDONJSA-N 0 0 304.321 3.333 20 10 DGCDRN C[C@@H]1CCC[C@H](CNC(=O)NCCc2ccc(N)cc2)[C@@H]1C ZINC001576676736 1191861828 /nfs/dbraw/zinc/86/18/28/1191861828.db2.gz DKTYKJHQEBHYGP-IIAWOOMASA-N 0 0 303.450 3.183 20 10 DGCDRN CN(Cc1nc(-c2cccs2)no1)Cc1ccc(N)cc1 ZINC001578489661 1191946704 /nfs/dbraw/zinc/94/67/04/1191946704.db2.gz FBRDVLUMUFSOJI-UHFFFAOYSA-N 0 0 300.387 3.012 20 10 DGCDRN COc1ccc([C@@H](C)NC(=O)Nc2ccc(N)cc2)c(OC)c1 ZINC001579236185 1191970029 /nfs/dbraw/zinc/97/00/29/1191970029.db2.gz SSHYXTSYGHBNFI-LLVKDONJSA-N 0 0 315.373 3.169 20 10 DGCDRN Cc1c(NC(=O)Cc2ccc(N)cc2)cnn1-c1ccc(F)cc1 ZINC001579540528 1191979138 /nfs/dbraw/zinc/97/91/38/1191979138.db2.gz VAFMEQOIAZWFPF-UHFFFAOYSA-N 0 0 324.359 3.083 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1CN1CCC([NH2+]CC2CC2)CC1 ZINC001580887884 1192043889 /nfs/dbraw/zinc/04/38/89/1192043889.db2.gz AKYLQXPCOAYCQX-UHFFFAOYSA-N 0 0 312.816 3.149 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H](O)c1ccsc1 ZINC001620807297 1192086881 /nfs/dbraw/zinc/08/68/81/1192086881.db2.gz SMJCHFITFJULLY-LBPRGKRZSA-N 0 0 301.770 3.069 20 10 DGCDRN O=C(CSc1ccc(O)cc1)NCc1cc(Cl)ccc1O ZINC001583820597 1192161971 /nfs/dbraw/zinc/16/19/71/1192161971.db2.gz ITWHFUGZIPXDSU-UHFFFAOYSA-N 0 0 323.801 3.160 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)/C=C/c2ccccc2)cc1 ZINC001586649933 1192340978 /nfs/dbraw/zinc/34/09/78/1192340978.db2.gz SSXTZIPBBJTCIE-NTEUORMPSA-N 0 0 324.424 3.303 20 10 DGCDRN CC[C@H]([NH2+]Cc1ccc(C)cc1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001590465133 1192510322 /nfs/dbraw/zinc/51/03/22/1192510322.db2.gz GFARKBKYMJNYQD-INIZCTEOSA-N 0 0 323.400 3.122 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](C)c2ccccn2)cc1 ZINC001596579270 1192697872 /nfs/dbraw/zinc/69/78/72/1192697872.db2.gz ZXBMKEXHAPHNBI-HNNXBMFYSA-N 0 0 311.429 3.348 20 10 DGCDRN Cn1c(Cl)c(Cl)cc1C(=O)NCc1c(O)cccc1F ZINC001596912147 1192710344 /nfs/dbraw/zinc/71/03/44/1192710344.db2.gz MASHCBKZLCBWAO-UHFFFAOYSA-N 0 0 317.147 3.107 20 10 DGCDRN Cc1nnc(N(C)Cc2ccccc2O)n1CC1(C)CCC1 ZINC001707861435 1176013471 /nfs/dbraw/zinc/01/34/71/1176013471.db2.gz IPWKYMAWGCYJFK-UHFFFAOYSA-N 0 0 300.406 3.119 20 10 DGCDRN CCc1ccc(O)c(C(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC001597849511 1192750744 /nfs/dbraw/zinc/75/07/44/1192750744.db2.gz VNHIWXIXMYZHAT-UHFFFAOYSA-N 0 0 324.424 3.267 20 10 DGCDRN O=C1Nc2ccc(NCc3cc(F)cc(F)c3O)cc2CO1 ZINC001621006217 1192780407 /nfs/dbraw/zinc/78/04/07/1192780407.db2.gz BNEULHPFCKIFKE-UHFFFAOYSA-N 0 0 306.268 3.345 20 10 DGCDRN Cc1oc(C[N@@H+](C)Cc2cc(C)c(C)cc2O)cc1C(=O)[O-] ZINC001600286583 1192827209 /nfs/dbraw/zinc/82/72/09/1192827209.db2.gz QWHYXHROGNJSLF-UHFFFAOYSA-N 0 0 303.358 3.241 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)NC1CCCC1 ZINC001671076233 1177768223 /nfs/dbraw/zinc/76/82/23/1177768223.db2.gz NVXZFEOEUCMCOA-UHFFFAOYSA-N 0 0 321.384 3.460 20 10 DGCDRN Cc1ccc([C@H](C)[NH2+]Cc2ccccc2CC(=O)[O-])c(O)c1C ZINC001600374554 1192839638 /nfs/dbraw/zinc/83/96/38/1192839638.db2.gz ZYYYRZVJUCVYKL-AWEZNQCLSA-N 0 0 313.397 3.487 20 10 DGCDRN Cc1ccc(C[NH2+][C@@H](C)[C@H](Cc2ccccc2)C(=O)[O-])c(O)c1 ZINC001600419873 1192849984 /nfs/dbraw/zinc/84/99/84/1192849984.db2.gz QLTGRVVSDVALJB-YOEHRIQHSA-N 0 0 313.397 3.122 20 10 DGCDRN Cc1ccc(O)c(C[NH2+][C@@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC001600464648 1192858288 /nfs/dbraw/zinc/85/82/88/1192858288.db2.gz HIGUMJXUHQMHIJ-WMLDXEAASA-N 0 0 313.397 3.122 20 10 DGCDRN CO[C@@H]1CCC[C@@H](C(=O)Nc2c3nonc3ccc2Cl)C1 ZINC001331138122 1178141998 /nfs/dbraw/zinc/14/19/98/1178141998.db2.gz GPYYETJAODNBFU-RKDXNWHRSA-N 0 0 309.753 3.020 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1ccccc1O ZINC001331583403 1178254317 /nfs/dbraw/zinc/25/43/17/1178254317.db2.gz XAMFGBMYUUFLFY-YGNMPJRFSA-N 0 0 310.344 3.186 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H](C)C2CC2)cc1 ZINC001331757895 1178278774 /nfs/dbraw/zinc/27/87/74/1178278774.db2.gz PUZROZQZZDZZEN-AWEZNQCLSA-N 0 0 324.424 3.364 20 10 DGCDRN CCOc1ccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])cc1OC ZINC001331924360 1178310871 /nfs/dbraw/zinc/31/08/71/1178310871.db2.gz FUJWZERGIDZDTL-UHFFFAOYSA-N 0 0 323.339 3.368 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CCC[C@H](F)C1 ZINC001332092146 1178357290 /nfs/dbraw/zinc/35/72/90/1178357290.db2.gz ACULDVWVHOTSTP-KBPBESRZSA-N 0 0 320.408 3.351 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1CCC[C@@H](F)C1)c1ccc(N(C)C)cc1 ZINC001332095098 1178357818 /nfs/dbraw/zinc/35/78/18/1178357818.db2.gz YOPYUIMBIGBENM-NWANDNLSSA-N 0 0 307.413 3.394 20 10 DGCDRN O=C(N[C@H](Cc1ccccc1)C1CC1)N1Cc2cccc(O)c2C1 ZINC001332950546 1178527513 /nfs/dbraw/zinc/52/75/13/1178527513.db2.gz DKHDPZMYSDSPIK-GOSISDBHSA-N 0 0 322.408 3.439 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCC[C@@H]1CCC(F)(F)C1 ZINC001333619991 1178640405 /nfs/dbraw/zinc/64/04/05/1178640405.db2.gz YUBIKQGIUDZXFC-KMOQFTEPSA-N 0 0 311.328 3.053 20 10 DGCDRN CC(C)OC(=O)C(C)(C)NCc1ccc(N2CCCC2)cc1 ZINC001334248745 1178740964 /nfs/dbraw/zinc/74/09/64/1178740964.db2.gz QZSPOKLYQCXPBT-UHFFFAOYSA-N 0 0 304.434 3.107 20 10 DGCDRN CCOc1cccc([C@@H](C)NC(=O)NCc2ccc(N)cc2)c1 ZINC001335399392 1178905134 /nfs/dbraw/zinc/90/51/34/1178905134.db2.gz ZRIGEZMNYYRDBH-CYBMUJFWSA-N 0 0 313.401 3.228 20 10 DGCDRN Cc1ccc(C[C@H](C)NC(=O)NCc2ccc(N)cc2)c(C)c1 ZINC001335478850 1178915997 /nfs/dbraw/zinc/91/59/97/1178915997.db2.gz WSMKQLVIYIDROR-HNNXBMFYSA-N 0 0 311.429 3.316 20 10 DGCDRN Nc1ccc(CNC(=O)NCc2cc(C3CC3)ccc2F)cc1 ZINC001336102367 1178993185 /nfs/dbraw/zinc/99/31/85/1178993185.db2.gz XWPFPVWGJHXMBS-UHFFFAOYSA-N 0 0 313.376 3.285 20 10 DGCDRN O=C(c1cccc2c1CCN2)N1C[C@H]2CCCN2c2ccccc21 ZINC001341569858 1179030248 /nfs/dbraw/zinc/03/02/48/1179030248.db2.gz AAHNKIZIDLGKCD-CQSZACIVSA-N 0 0 319.408 3.284 20 10 DGCDRN C[C@@H](NC(=O)NCCCc1ccsc1)c1ccccc1O ZINC001341745934 1179056437 /nfs/dbraw/zinc/05/64/37/1179056437.db2.gz YQOINUPPLJIGES-GFCCVEGCSA-N 0 0 304.415 3.447 20 10 DGCDRN OC[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)c2ccccc21 ZINC001343973541 1179359120 /nfs/dbraw/zinc/35/91/20/1179359120.db2.gz WMZIJJYYXUWXPH-KRWDZBQOSA-N 0 0 308.425 3.383 20 10 DGCDRN O=C([O-])CC1CCC([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001601948311 1192952638 /nfs/dbraw/zinc/95/26/38/1192952638.db2.gz IWOWNHHKEULOHZ-UHFFFAOYSA-N 0 0 316.445 3.410 20 10 DGCDRN CC1(C)CC[C@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])OC1 ZINC001621047886 1192960299 /nfs/dbraw/zinc/96/02/99/1192960299.db2.gz IOXGLMBLJSZUEW-GFCCVEGCSA-N 0 0 301.789 3.480 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC(C)(C)CF ZINC001345068437 1179520566 /nfs/dbraw/zinc/52/05/66/1179520566.db2.gz URZVZVVLSBWMKK-ZDUSSCGKSA-N 0 0 309.429 3.039 20 10 DGCDRN CCC(CC)[C@H]1C[C@@H](NC(=O)NCc2ccc(N)cc2)CCO1 ZINC001346406531 1179696250 /nfs/dbraw/zinc/69/62/50/1179696250.db2.gz XVKZAZIEALRNFR-DLBZAZTESA-N 0 0 319.449 3.052 20 10 DGCDRN CC1(C)CN(C(=O)NCc2ccc(N)cc2)Cc2ccccc21 ZINC001346738763 1179741251 /nfs/dbraw/zinc/74/12/51/1179741251.db2.gz KIEOAAPOTDQGPP-UHFFFAOYSA-N 0 0 309.413 3.272 20 10 DGCDRN CCON(CC1CCCCC1)C(=O)NCc1ccc(N)cc1 ZINC001346739756 1179741275 /nfs/dbraw/zinc/74/12/75/1179741275.db2.gz UQCYZBCQNMTDKE-UHFFFAOYSA-N 0 0 305.422 3.312 20 10 DGCDRN C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)NCc1ccc(N)cc1 ZINC001346740236 1179741515 /nfs/dbraw/zinc/74/15/15/1179741515.db2.gz ZCGDLHZBUFKHHC-YJBOKZPZSA-N 0 0 323.440 3.432 20 10 DGCDRN Cc1oc(C(C)(C)C)cc1C(=O)NCc1cccc(O)c1O ZINC001349079625 1179872510 /nfs/dbraw/zinc/87/25/10/1179872510.db2.gz OSTSUMYNOXHHCH-UHFFFAOYSA-N 0 0 303.358 3.227 20 10 DGCDRN O=C(NCc1cccc(O)c1O)C1(Cc2ccccc2)CCC1 ZINC001349078674 1179872572 /nfs/dbraw/zinc/87/25/72/1179872572.db2.gz JCIPWKNVGIJNJK-UHFFFAOYSA-N 0 0 311.381 3.127 20 10 DGCDRN CC(C)[C@@H]1CCCN(c2nnc(C3SC=CC3=O)n2C)C1 ZINC001350469552 1180076054 /nfs/dbraw/zinc/07/60/54/1180076054.db2.gz KZISXOMLJZHHHW-LLVKDONJSA-N 0 0 306.435 3.122 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2c(F)ccc3ccncc32)cc1 ZINC001350776616 1180120607 /nfs/dbraw/zinc/12/06/07/1180120607.db2.gz LIFASZIDBZXJBV-UHFFFAOYSA-N 0 0 323.371 3.370 20 10 DGCDRN COC(=O)COc1ccc(N(C)CCCC(C)(F)F)cc1 ZINC001351286418 1180195647 /nfs/dbraw/zinc/19/56/47/1180195647.db2.gz DINBFWAYGQUZNZ-UHFFFAOYSA-N 0 0 301.333 3.110 20 10 DGCDRN Cn1cnc(/C=C/C(=O)N(Cc2ccco2)c2ccccc2)c1 ZINC001351711021 1180239567 /nfs/dbraw/zinc/23/95/67/1180239567.db2.gz RJWQLKXUKXDJGX-MDZDMXLPSA-N 0 0 307.353 3.260 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ncc(Cl)cc2Cl)cc1 ZINC001352215513 1180309981 /nfs/dbraw/zinc/30/99/81/1180309981.db2.gz NKPFSNJRLOKJIA-UHFFFAOYSA-N 0 0 324.211 3.384 20 10 DGCDRN COc1ccc(C(=O)NCc2cc(Cl)ccc2O)c(F)c1 ZINC001300398303 1180640277 /nfs/dbraw/zinc/64/02/77/1180640277.db2.gz FKKOBNPHSAKADX-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN CCN(C)C(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC001354499295 1180813975 /nfs/dbraw/zinc/81/39/75/1180813975.db2.gz LAVFTRZAJAKUQP-UHFFFAOYSA-N 0 0 300.402 3.007 20 10 DGCDRN C[C@@H]([NH2+][C@@H](c1ccncc1)C1CC1)c1cc(C(=O)[O-])ccc1O ZINC001604325565 1193064370 /nfs/dbraw/zinc/06/43/70/1193064370.db2.gz OSJGAPULICLYIQ-PIGZYNQJSA-N 0 0 312.369 3.287 20 10 DGCDRN C[C@@H]([NH2+][C@H](C)c1c(F)cncc1F)c1cc(C(=O)[O-])ccc1O ZINC001604322984 1193064437 /nfs/dbraw/zinc/06/44/37/1193064437.db2.gz STGCDZMNSBTXAE-RKDXNWHRSA-N 0 0 322.311 3.175 20 10 DGCDRN CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001604336879 1193065928 /nfs/dbraw/zinc/06/59/28/1193065928.db2.gz BZVALEPQRXNSKY-QEORTHHSSA-N 0 0 321.417 3.192 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)N(C)c1cccnc1N1CCCC1 ZINC001355223291 1181013649 /nfs/dbraw/zinc/01/36/49/1181013649.db2.gz ODCOSVZEPQQXEE-BQYQJAHWSA-N 0 0 322.412 3.061 20 10 DGCDRN CC[C@H]1CCCN(c2nnc(C3SC=CC3=O)n2C)CC1 ZINC001355345542 1181040293 /nfs/dbraw/zinc/04/02/93/1181040293.db2.gz XJWDPQXMTNWZSS-NSHDSACASA-N 0 0 306.435 3.266 20 10 DGCDRN C[C@H]([NH2+]CC1(c2ccccc2)CC1)c1cc(C(=O)[O-])ccc1O ZINC001604337205 1193066385 /nfs/dbraw/zinc/06/63/85/1193066385.db2.gz LUNBTBUDUIRSNL-ZDUSSCGKSA-N 0 0 311.381 3.473 20 10 DGCDRN CCC1CCN(c2nnc(C3SC=CC3=O)n2CC)CC1 ZINC001356277556 1181168012 /nfs/dbraw/zinc/16/80/12/1181168012.db2.gz LHWOGPZAXBEBKF-UHFFFAOYSA-N 0 0 306.435 3.359 20 10 DGCDRN C[C@@H]1c2ccc(F)cc2CCN1C(=O)NCc1ccc(N)cc1 ZINC001357790673 1181427523 /nfs/dbraw/zinc/42/75/23/1181427523.db2.gz FWKBTSDSLIVFFG-GFCCVEGCSA-N 0 0 313.376 3.237 20 10 DGCDRN COc1cc2c(c(OC)c1)N(C[C@@H]1C[C@@H]3CCC[C@@H]3O1)CCC2 ZINC001473553107 1181546600 /nfs/dbraw/zinc/54/66/00/1181546600.db2.gz BRKBKHXEDZKADF-JQFCIGGWSA-N 0 0 317.429 3.414 20 10 DGCDRN C/C(=C/C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccco1 ZINC001434914125 1181779152 /nfs/dbraw/zinc/77/91/52/1181779152.db2.gz FEVWYCFBLUTDJP-XFXZXTDPSA-N 0 0 302.349 3.204 20 10 DGCDRN Cn1cnc(/C=C\C(=O)N2CCCCc3c(Cl)cccc32)c1 ZINC001435834881 1181848684 /nfs/dbraw/zinc/84/86/84/1181848684.db2.gz MBHIARINJLHBHO-HJWRWDBZSA-N 0 0 315.804 3.456 20 10 DGCDRN CCc1ccc(N(CC2CC2)C(=O)/C=C/c2cnn(C)c2)cc1 ZINC001436309949 1181883618 /nfs/dbraw/zinc/88/36/18/1181883618.db2.gz IOTFFCHFKREMOH-DHZHZOJOSA-N 0 0 309.413 3.439 20 10 DGCDRN Cc1ccc2c(n1)N(C(=O)/C=C\c1ccc(Cl)nc1)CCC2 ZINC001439033354 1181990416 /nfs/dbraw/zinc/99/04/16/1181990416.db2.gz JNBFMMOLEPBKBY-TWGQIWQCSA-N 0 0 313.788 3.431 20 10 DGCDRN C/C=C/[C@@H](O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC001442443002 1182083374 /nfs/dbraw/zinc/08/33/74/1182083374.db2.gz BKNAIVDWQIHHET-NTSMAEHXSA-N 0 0 316.445 3.009 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H](C)O[C@@H]2C)cc1F ZINC001443764429 1182108854 /nfs/dbraw/zinc/10/88/54/1182108854.db2.gz AQYYCGKOCXJIBM-GZBFAFLISA-N 0 0 322.424 3.102 20 10 DGCDRN CC1(C)C[C@H](NC(=O)Cc2ccc(O)c(O)c2)c2ccccc21 ZINC001445718357 1182153814 /nfs/dbraw/zinc/15/38/14/1182153814.db2.gz DBGVIARCCYZTON-HNNXBMFYSA-N 0 0 311.381 3.179 20 10 DGCDRN CCC[C@@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)C(=O)[O-] ZINC001605354834 1193144092 /nfs/dbraw/zinc/14/40/92/1193144092.db2.gz XWWVGUQSEAUETL-CQSZACIVSA-N 0 0 309.406 3.041 20 10 DGCDRN CC[C@@H]1Cc2ccccc2CN1C(=O)Cc1ccc(O)c(O)c1 ZINC001447375276 1182188871 /nfs/dbraw/zinc/18/88/71/1182188871.db2.gz GSUFHQCILHQKTD-MRXNPFEDSA-N 0 0 311.381 3.004 20 10 DGCDRN CCN(C)c1ccc(C[N@H+](C2CC2)C2(C(=O)[O-])CCC2)cc1 ZINC001605411098 1193149124 /nfs/dbraw/zinc/14/91/24/1193149124.db2.gz XNYIRHIILGEDSJ-UHFFFAOYSA-N 0 0 302.418 3.114 20 10 DGCDRN CC[C@@H](C)Oc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001450254408 1182245450 /nfs/dbraw/zinc/24/54/50/1182245450.db2.gz KMWZLFKLJNWUHF-GFCCVEGCSA-N 0 0 315.369 3.456 20 10 DGCDRN CC[C@H](C)Oc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001450254561 1182245480 /nfs/dbraw/zinc/24/54/80/1182245480.db2.gz KMWZLFKLJNWUHF-LBPRGKRZSA-N 0 0 315.369 3.456 20 10 DGCDRN Cc1ccc(C(=O)NCC[C@@H]2CCc3ccccc32)c(O)c1O ZINC001450497215 1182249987 /nfs/dbraw/zinc/24/99/87/1182249987.db2.gz VQACWISPZWTWQB-AWEZNQCLSA-N 0 0 311.381 3.256 20 10 DGCDRN C[C@@H](NC(=O)c1cc2ccccc2[nH]c1=O)c1ccccc1O ZINC001454803729 1182353329 /nfs/dbraw/zinc/35/33/29/1182353329.db2.gz GHPKZXADHRLVCT-LLVKDONJSA-N 0 0 308.337 3.137 20 10 DGCDRN C[C@H](NC(=O)Cc1nc(C2CC2)cs1)c1ccccc1O ZINC001454815994 1182353411 /nfs/dbraw/zinc/35/34/11/1182353411.db2.gz IOEVJLRXNUSYAR-JTQLQIEISA-N 0 0 302.399 3.146 20 10 DGCDRN C[C@H](NC(=O)COc1ccc(F)cc1Cl)c1ccccc1O ZINC001454802479 1182353835 /nfs/dbraw/zinc/35/38/35/1182353835.db2.gz AADUYVHPVPQVCA-JTQLQIEISA-N 0 0 323.751 3.441 20 10 DGCDRN C[C@H](NC(=O)c1cncnc1-c1ccccc1)c1ccccc1O ZINC001454817923 1182353850 /nfs/dbraw/zinc/35/38/50/1182353850.db2.gz MYSXIKIELSYRKA-ZDUSSCGKSA-N 0 0 319.364 3.340 20 10 DGCDRN COCc1ccc(C(=O)N[C@@H](C)c2ccccc2O)cc1F ZINC001454817316 1182353944 /nfs/dbraw/zinc/35/39/44/1182353944.db2.gz KBADCNKWDCIKJF-NSHDSACASA-N 0 0 303.333 3.169 20 10 DGCDRN Cc1ccc(C(=O)NCc2c(O)cccc2O)c(F)c1Cl ZINC001456234914 1182407197 /nfs/dbraw/zinc/40/71/97/1182407197.db2.gz KCCNQBAUAJNERS-UHFFFAOYSA-N 0 0 309.724 3.129 20 10 DGCDRN CCN(C(=O)/C(C)=C\c1cccnc1)c1ccccc1C(=O)OC ZINC001456255450 1182408344 /nfs/dbraw/zinc/40/83/44/1182408344.db2.gz WHFJDZNXVYJCEU-OWBHPGMISA-N 0 0 324.380 3.325 20 10 DGCDRN Cc1oc(C(C)(C)C)cc1C(=O)NCc1c(O)cccc1O ZINC001456323437 1182409710 /nfs/dbraw/zinc/40/97/10/1182409710.db2.gz RULLMSWXTATKCL-UHFFFAOYSA-N 0 0 303.358 3.227 20 10 DGCDRN O=C(NCCCSc1ccccc1)c1c(F)ccc(O)c1O ZINC001457528479 1182470234 /nfs/dbraw/zinc/47/02/34/1182470234.db2.gz PAPHPTATHBXFFY-UHFFFAOYSA-N 0 0 321.373 3.149 20 10 DGCDRN COc1cc(N(C)Cc2ccoc2C)c([N+](=O)[O-])cc1OC ZINC001458138704 1182499359 /nfs/dbraw/zinc/49/93/59/1182499359.db2.gz DOXRKHNRMWOFNX-UHFFFAOYSA-N 0 0 306.318 3.150 20 10 DGCDRN CCN(CCC1CC1)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC001458303898 1182512896 /nfs/dbraw/zinc/51/28/96/1182512896.db2.gz HKDJZKMREKGWKQ-VQHVLOKHSA-N 0 0 318.373 3.407 20 10 DGCDRN O=[N+]([O-])c1ccc(NCc2cc(O)ccc2O)c2ncccc12 ZINC001458575257 1182541437 /nfs/dbraw/zinc/54/14/37/1182541437.db2.gz XOSFPLKOMXVXLA-UHFFFAOYSA-N 0 0 311.297 3.166 20 10 DGCDRN COc1cc2c(c(OC)c1)N(CCc1ccns1)CCC2 ZINC001460245800 1182667288 /nfs/dbraw/zinc/66/72/88/1182667288.db2.gz AJAJACRGENOJKY-UHFFFAOYSA-N 0 0 304.415 3.156 20 10 DGCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@H](O)CSC ZINC001460282099 1182672082 /nfs/dbraw/zinc/67/20/82/1182672082.db2.gz CQXIXAJBXDAJJV-CABCVRRESA-N 0 0 309.475 3.054 20 10 DGCDRN CCOc1ccc(N(CC2CC2)C[C@@H]2COC(C)(C)O2)cc1 ZINC001460629798 1182702700 /nfs/dbraw/zinc/70/27/00/1182702700.db2.gz XGOWMHVSULVMFC-QGZVFWFLSA-N 0 0 305.418 3.453 20 10 DGCDRN CCc1cccc(C[NH2+][C@@](CC)(C(=O)[O-])c2ccccc2)c1O ZINC001605829068 1193177226 /nfs/dbraw/zinc/17/72/26/1193177226.db2.gz XPUFWFVIMKDKPS-LJQANCHMSA-N 0 0 313.397 3.434 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@@H]2CCCCO2)c1 ZINC001461130624 1182771586 /nfs/dbraw/zinc/77/15/86/1182771586.db2.gz ZPCVKXVJNLHIAB-LBPRGKRZSA-N 0 0 314.223 3.122 20 10 DGCDRN CC(=O)N(C)c1ccc(NCc2ccc(N(C)C)c(F)c2)cc1 ZINC001461250175 1182786266 /nfs/dbraw/zinc/78/62/66/1182786266.db2.gz ZFIKHFCOCTWEJT-UHFFFAOYSA-N 0 0 315.392 3.487 20 10 DGCDRN CC[N@@H+]1C[C@@H](C)N(Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1C ZINC001461936697 1182881419 /nfs/dbraw/zinc/88/14/19/1182881419.db2.gz KDQJLQLMOZYVBQ-WDEREUQCSA-N 0 0 300.805 3.099 20 10 DGCDRN COc1ccc2c(c1)CCN2Cc1cc(-c2ccccn2)n[nH]1 ZINC001461986882 1182889640 /nfs/dbraw/zinc/88/96/40/1182889640.db2.gz DMPWHTOJLXZPTH-UHFFFAOYSA-N 0 0 306.369 3.043 20 10 DGCDRN Cn1cnc(-c2cccc(NCc3ccc(Cl)cc3O)c2)n1 ZINC001462061521 1182903439 /nfs/dbraw/zinc/90/34/39/1182903439.db2.gz GVFGQTWAFPNUAX-UHFFFAOYSA-N 0 0 314.776 3.453 20 10 DGCDRN CCOC(=O)[C@H](C)N(C/C=C\c1ccc(N(C)C)cc1)C1CC1 ZINC001462094208 1182907051 /nfs/dbraw/zinc/90/70/51/1182907051.db2.gz KOVDXAGUCZKNPL-XHPSBEMXSA-N 0 0 316.445 3.182 20 10 DGCDRN CCCOc1ccc(CN[C@@H](C(=O)OCC)C2CC2)cc1C ZINC001462125617 1182911476 /nfs/dbraw/zinc/91/14/76/1182911476.db2.gz NUEWUZNCUGGBLY-QGZVFWFLSA-N 0 0 305.418 3.215 20 10 DGCDRN COC(=O)[C@]12C[N@H+](Cc3cccc(Cl)c3[O-])C[C@H]1CCCC2 ZINC001462384960 1182944272 /nfs/dbraw/zinc/94/42/72/1182944272.db2.gz VHRHZINQBDOOII-CXAGYDPISA-N 0 0 323.820 3.211 20 10 DGCDRN CCCNC(=O)c1ccc(NCc2cc(F)c(F)cc2O)cc1 ZINC001462390438 1182946011 /nfs/dbraw/zinc/94/60/11/1182946011.db2.gz JBICWILEVXYMBA-UHFFFAOYSA-N 0 0 320.339 3.422 20 10 DGCDRN CCOC(=O)c1cc(CN(C)c2ccc(OC)cc2)[nH]c1C ZINC001462405370 1182948315 /nfs/dbraw/zinc/94/83/15/1182948315.db2.gz OCZCHSILCZTQHP-UHFFFAOYSA-N 0 0 302.374 3.145 20 10 DGCDRN C[C@@H](CC(N)=O)c1ccc(NCc2cc(F)c(F)cc2O)cc1 ZINC001462601786 1182975317 /nfs/dbraw/zinc/97/53/17/1182975317.db2.gz GVUGXORWKIJQTM-JTQLQIEISA-N 0 0 320.339 3.261 20 10 DGCDRN Oc1cc(Cl)ccc1CN1CCn2nc(C3CC3)cc2C1 ZINC001462625195 1182977199 /nfs/dbraw/zinc/97/71/99/1182977199.db2.gz XTEYHSBYOZLWSH-UHFFFAOYSA-N 0 0 303.793 3.135 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2coc3cc(O)ccc23)cc1 ZINC001463728757 1183042914 /nfs/dbraw/zinc/04/29/14/1183042914.db2.gz ZCHFUQZTGIUPBL-UHFFFAOYSA-N 0 0 310.353 3.134 20 10 DGCDRN CC(C)(C)CCCS(=O)(=O)NCc1cc(Cl)ccc1O ZINC001464022917 1183064473 /nfs/dbraw/zinc/06/44/73/1183064473.db2.gz ATULFGIPAQVBJN-UHFFFAOYSA-N 0 0 319.854 3.291 20 10 DGCDRN C[C@H](NS(=O)(=O)/C=C\c1ccc(F)cc1)c1ccccc1O ZINC001464275257 1183082703 /nfs/dbraw/zinc/08/27/03/1183082703.db2.gz WDUBODQHTJDMRC-WEHUKYGOSA-N 0 0 321.373 3.183 20 10 DGCDRN Cc1ccc(N(C)C(=O)c2cccnc2-c2cnn(C)c2)cc1 ZINC001464687042 1183106933 /nfs/dbraw/zinc/10/69/33/1183106933.db2.gz YPAKXXFRJZRDBN-UHFFFAOYSA-N 0 0 306.369 3.067 20 10 DGCDRN Cc1ccc(CN(C)C(=O)c2ccc(N=NC(N)=O)cc2)s1 ZINC001464752246 1183110378 /nfs/dbraw/zinc/11/03/78/1183110378.db2.gz UWOSHFOIVZTREQ-UHFFFAOYSA-N 0 0 316.386 3.491 20 10 DGCDRN CCc1cccc(C(=O)NCc2ccc(N(C)C)cc2C)c1O ZINC001465034010 1183126198 /nfs/dbraw/zinc/12/61/98/1183126198.db2.gz WEVJUNUJYMCYQJ-UHFFFAOYSA-N 0 0 312.413 3.259 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N[C@@H](CC1CC1)c1ccccc1 ZINC001465221065 1183137133 /nfs/dbraw/zinc/13/71/33/1183137133.db2.gz RTSVISBXTDZUER-INIZCTEOSA-N 0 0 311.381 3.298 20 10 DGCDRN CCc1ccc(CCNC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001465287826 1183140428 /nfs/dbraw/zinc/14/04/28/1183140428.db2.gz JEXUQAUIWCEVGK-UHFFFAOYSA-N 0 0 324.384 3.384 20 10 DGCDRN Cc1cc(CC(=O)NCc2ccc[nH]2)c(C)n1-c1ccccc1 ZINC001465457350 1183150842 /nfs/dbraw/zinc/15/08/42/1183150842.db2.gz MEOXQSVRCDDXBB-UHFFFAOYSA-N 0 0 307.397 3.281 20 10 DGCDRN COc1cc(F)c(C(=O)NCc2ccccc2O)c(Cl)c1 ZINC001465990480 1183180818 /nfs/dbraw/zinc/18/08/18/1183180818.db2.gz KIBGOTSBPNMHEQ-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN CC[C@@H](C)c1ncc(NC(=O)NCc2ccccc2O)cn1 ZINC001466322887 1183198557 /nfs/dbraw/zinc/19/85/57/1183198557.db2.gz HQUAKAPXLZWKRP-LLVKDONJSA-N 0 0 300.362 3.017 20 10 DGCDRN COC1(C)CN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC001466599507 1183213261 /nfs/dbraw/zinc/21/32/61/1183213261.db2.gz QYKJZIUFZSXEIK-UHFFFAOYSA-N 0 0 312.413 3.263 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/C=C(Cl)Cl ZINC001466791157 1183224663 /nfs/dbraw/zinc/22/46/63/1183224663.db2.gz PREBOVRNNWKJCB-HDMKULJXSA-N 0 0 316.184 3.020 20 10 DGCDRN C[C@H](NC(=O)[C@]1(O)CCCC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001467260835 1183250421 /nfs/dbraw/zinc/25/04/21/1183250421.db2.gz UZQSRUAQFJIXOP-LIRRHRJNSA-N 0 0 318.461 3.261 20 10 DGCDRN O=C(NC1(Cc2cccc(F)c2)CCC1)c1cccc(O)c1O ZINC001467299802 1183253449 /nfs/dbraw/zinc/25/34/49/1183253449.db2.gz OCPZLBBJSAHNDD-UHFFFAOYSA-N 0 0 315.344 3.132 20 10 DGCDRN COc1ccc(CNC(=O)/C=C(\C)c2cccs2)c(O)c1 ZINC001467471395 1183264037 /nfs/dbraw/zinc/26/40/37/1183264037.db2.gz YKCXRASRTBWIJN-DHZHZOJOSA-N 0 0 303.383 3.182 20 10 DGCDRN COc1ccc(CNC(=O)c2cc(F)cc3ccoc32)c(O)c1 ZINC001467470502 1183264312 /nfs/dbraw/zinc/26/43/12/1183264312.db2.gz KNNCHCPJQGQXBN-UHFFFAOYSA-N 0 0 315.300 3.216 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC001467516135 1183267290 /nfs/dbraw/zinc/26/72/90/1183267290.db2.gz PKQHFTFUHJCMOM-HGKCTWBKSA-N 0 0 322.408 3.435 20 10 DGCDRN O=C(NCc1ccccc1Cl)NCc1c(O)cccc1F ZINC001467634160 1183276438 /nfs/dbraw/zinc/27/64/38/1183276438.db2.gz WYBDNJBVNSSDSD-UHFFFAOYSA-N 0 0 308.740 3.184 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCC2(CC3CC3)CC2)cc1F ZINC001468349659 1183327322 /nfs/dbraw/zinc/32/73/22/1183327322.db2.gz NBBASILOEYTSCI-UHFFFAOYSA-N 0 0 319.424 3.271 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1C[C@H]1c1cccc(O)c1 ZINC001469876499 1183443308 /nfs/dbraw/zinc/44/33/08/1183443308.db2.gz GRJLLABWZRFFDU-LSDHHAIUSA-N 0 0 317.772 3.171 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1cc([N+](=O)[O-])ccc1F ZINC001469876035 1183443783 /nfs/dbraw/zinc/44/37/83/1183443783.db2.gz AKGOAPCFESRTBT-UHFFFAOYSA-N 0 0 324.695 3.023 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC001470254361 1183472643 /nfs/dbraw/zinc/47/26/43/1183472643.db2.gz FMWAUNQAOXCNPF-LBPRGKRZSA-N 0 0 314.341 3.029 20 10 DGCDRN O=C(NCc1ccsc1C(F)(F)F)C1=CC(=O)CS1 ZINC001470922082 1183524699 /nfs/dbraw/zinc/52/46/99/1183524699.db2.gz XSEOHDWZCTWRHY-UHFFFAOYSA-N 0 0 307.318 3.464 20 10 DGCDRN C[C@@H](NC(=O)Cc1cc(F)c(F)cc1F)c1ccccc1O ZINC001471195728 1183545588 /nfs/dbraw/zinc/54/55/88/1183545588.db2.gz NAYTUTFMRJXKPK-SECBINFHSA-N 0 0 309.287 3.229 20 10 DGCDRN C[C@H](CSC(F)(F)F)C(=O)N[C@@H](C)c1ccccc1O ZINC001471195493 1183545614 /nfs/dbraw/zinc/54/56/14/1183545614.db2.gz YMQYZCARUMJFON-BDAKNGLRSA-N 0 0 307.337 3.459 20 10 DGCDRN C[C@@H](NC(=O)c1cn(C)nc1-c1ccccc1)c1ccccc1O ZINC001471196039 1183545692 /nfs/dbraw/zinc/54/56/92/1183545692.db2.gz RNDPQBLYOPJBPO-CYBMUJFWSA-N 0 0 321.380 3.284 20 10 DGCDRN Nc1ccc(C(F)(F)F)cc1C(=O)N1Cc2cccc(O)c2C1 ZINC001471355755 1183558237 /nfs/dbraw/zinc/55/82/37/1183558237.db2.gz UHUHNZLJQQGPMY-UHFFFAOYSA-N 0 0 322.286 3.149 20 10 DGCDRN CCC(=O)N(C)c1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC001471588486 1183575762 /nfs/dbraw/zinc/57/57/62/1183575762.db2.gz MNIPZFVBQNDNCM-UHFFFAOYSA-N 0 0 304.371 3.079 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(C(=O)[O-])c2n1CCCC2)c1ccccc1O ZINC001607460979 1193230759 /nfs/dbraw/zinc/23/07/59/1193230759.db2.gz UWUQMCVKYGGERW-LBPRGKRZSA-N 0 0 314.385 3.079 20 10 DGCDRN Cc1ccc(C(=O)Nc2cccc(-c3cccnc3)n2)c(O)c1O ZINC001472017871 1183607803 /nfs/dbraw/zinc/60/78/03/1183607803.db2.gz KVZJKIAVBWSNBB-UHFFFAOYSA-N 0 0 321.336 3.116 20 10 DGCDRN Cc1nc(C(C)(C)C)sc1C(=O)NCc1c(O)cccc1O ZINC001472064104 1183613255 /nfs/dbraw/zinc/61/32/55/1183613255.db2.gz SYVHVMOZCFMERG-UHFFFAOYSA-N 0 0 320.414 3.090 20 10 DGCDRN O=C(/C=C\c1nccs1)NCc1c(O)ccc2ccccc21 ZINC001472085040 1183614428 /nfs/dbraw/zinc/61/44/28/1183614428.db2.gz JJCVIDSAJFDOJQ-FPLPWBNLSA-N 0 0 310.378 3.332 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1cccnc1C(F)F ZINC001472317026 1183634331 /nfs/dbraw/zinc/63/43/31/1183634331.db2.gz RVANSVKPJCDMFZ-UHFFFAOYSA-N 0 0 312.703 3.308 20 10 DGCDRN CN(C(=O)c1ccc(N=NC(N)=O)cc1)c1ccc(F)cc1 ZINC001626196759 1193234621 /nfs/dbraw/zinc/23/46/21/1193234621.db2.gz UQMGQNVXKDALGT-UHFFFAOYSA-N 0 0 300.293 3.265 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2C[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001472900659 1183697653 /nfs/dbraw/zinc/69/76/53/1183697653.db2.gz VCBSSDLQWLVQAB-IRQMKAKQSA-N 0 0 316.357 3.017 20 10 DGCDRN CN(C(N)=O)c1cccc(NCc2cc(Cl)cc(F)c2O)c1 ZINC001474133121 1183873317 /nfs/dbraw/zinc/87/33/17/1183873317.db2.gz HQAHMNKDRXQEHG-UHFFFAOYSA-N 0 0 323.755 3.312 20 10 DGCDRN CN1Cc2ccccc2[C@@H]1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001474239805 1183888352 /nfs/dbraw/zinc/88/83/52/1183888352.db2.gz IAZXBXNJGTYOFA-INIZCTEOSA-N 0 0 320.795 3.461 20 10 DGCDRN COCc1cc(CN(C)Cc2ccc(N3CCCC3)cc2)no1 ZINC001474506246 1183932856 /nfs/dbraw/zinc/93/28/56/1183932856.db2.gz QMGBQPLWPADUJI-UHFFFAOYSA-N 0 0 315.417 3.053 20 10 DGCDRN Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001474504820 1183932944 /nfs/dbraw/zinc/93/29/44/1183932944.db2.gz KZSXNPYTFSJEGL-AWEZNQCLSA-N 0 0 307.344 3.347 20 10 DGCDRN COc1ccc(N(C)Cc2cc(F)c(F)cc2O)cc1OC ZINC001474601467 1183947351 /nfs/dbraw/zinc/94/73/51/1183947351.db2.gz PHZNMWTVTRKASI-UHFFFAOYSA-N 0 0 309.312 3.324 20 10 DGCDRN Oc1cccc2c1CN(Cc1ccc(Br)cc1O)C2 ZINC001474677270 1183960950 /nfs/dbraw/zinc/96/09/50/1183960950.db2.gz IGRAFMAJRDHVPI-UHFFFAOYSA-N 0 0 320.186 3.376 20 10 DGCDRN CC(C)Oc1ncccc1NC(=O)N[C@H](C)c1ccccc1O ZINC001475984590 1184024939 /nfs/dbraw/zinc/02/49/39/1184024939.db2.gz YKOLYPVBWBOWAI-GFCCVEGCSA-N 0 0 315.373 3.457 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NCC2CC=CC2)cc1F ZINC001477846115 1184115077 /nfs/dbraw/zinc/11/50/77/1184115077.db2.gz BFCXRMWOSKMKMC-UHFFFAOYSA-N 0 0 319.424 3.437 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC(C)(C)C[C@H]1C ZINC001477854286 1184115205 /nfs/dbraw/zinc/11/52/05/1184115205.db2.gz JMNNMJUSFAAQNM-CQSZACIVSA-N 0 0 303.450 3.391 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1C[C@@]1(C)C(C)C ZINC001477855780 1184115328 /nfs/dbraw/zinc/11/53/28/1184115328.db2.gz WDYNXQUBRDLGFY-AEFFLSMTSA-N 0 0 303.450 3.295 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H]1CC12CCC2 ZINC001478841405 1184180241 /nfs/dbraw/zinc/18/02/41/1184180241.db2.gz VTAKBDXIJMWPFX-PBHICJAKSA-N 0 0 315.461 3.234 20 10 DGCDRN Cc1cc(CCNC(=O)N2C[C@@H]3C[C@@H]3C2)c(C)n1-c1ccccc1 ZINC001479064895 1184200014 /nfs/dbraw/zinc/20/00/14/1184200014.db2.gz ZFZVLYHGXJECLZ-HDICACEKSA-N 0 0 323.440 3.298 20 10 DGCDRN Cn1c2ccc(F)cc2c(C[N@@H+]2CCCC3(CC3)C2)c1C(=O)[O-] ZINC001608079350 1193278124 /nfs/dbraw/zinc/27/81/24/1193278124.db2.gz OSINJROSJDPROG-UHFFFAOYSA-N 0 0 316.376 3.392 20 10 DGCDRN O=C([O-])[C@@H](CC(F)F)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC001608529798 1193291003 /nfs/dbraw/zinc/29/10/03/1193291003.db2.gz GLNYVQRUARMGMB-CQSZACIVSA-N 0 0 321.323 3.257 20 10 DGCDRN C[C@H](Cc1ccsc1)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001609750100 1193354006 /nfs/dbraw/zinc/35/40/06/1193354006.db2.gz MCYZRWMVPGJAFK-MNOVXSKESA-N 0 0 305.399 3.434 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCc2ccccc2C1 ZINC000029062291 1193381819 /nfs/dbraw/zinc/38/18/19/1193381819.db2.gz OSXHUQOKLIPLEP-UHFFFAOYSA-N 0 0 321.376 3.365 20 10 DGCDRN O=C([O-])[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1ccccc1O ZINC001610736678 1193405993 /nfs/dbraw/zinc/40/59/93/1193405993.db2.gz YOCJOGPZRURKAE-HOTGVXAUSA-N 0 0 303.402 3.248 20 10 DGCDRN CCN(Cc1ccoc1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001611124587 1193423965 /nfs/dbraw/zinc/42/39/65/1193423965.db2.gz NIHLTTUVBHOTCO-UHFFFAOYSA-N 0 0 300.318 3.104 20 10 DGCDRN C[C@H](NC(=O)c1c(F)ccc(O)c1O)[C@H]1CC2CCC1CC2 ZINC001611538686 1193436656 /nfs/dbraw/zinc/43/66/56/1193436656.db2.gz ZUMWZWZDIQIFGL-WNYYMSAVSA-N 0 0 307.365 3.182 20 10 DGCDRN Nc1ccc(CNC(=O)c2ccc(N3CCCCC3)cc2)cc1 ZINC001515331052 1186753988 /nfs/dbraw/zinc/75/39/88/1186753988.db2.gz CYZIZKAORJVGIT-UHFFFAOYSA-N 0 0 309.413 3.189 20 10 DGCDRN C/C(=C\c1cccnc1)C(=O)N(C)c1cccnc1N1CCCC1 ZINC001516053905 1186776561 /nfs/dbraw/zinc/77/65/61/1186776561.db2.gz KOIZLHRBUHBNCW-FYWRMAATSA-N 0 0 322.412 3.143 20 10 DGCDRN COc1ccc(N(C)C(=O)/C(C)=C\c2cccnc2)cc1F ZINC001518051749 1186830137 /nfs/dbraw/zinc/83/01/37/1186830137.db2.gz GIDLFQHAGNHHKB-XFXZXTDPSA-N 0 0 300.333 3.296 20 10 DGCDRN C/C(=C\C(=O)N1CCCc2ccc(F)c(F)c21)c1cnccn1 ZINC001518262611 1186836495 /nfs/dbraw/zinc/83/64/95/1186836495.db2.gz NBSIFZHKIODYPO-PKNBQFBNSA-N 0 0 315.323 3.138 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1CCCC[C@@H](C)C1 ZINC001520739523 1186964649 /nfs/dbraw/zinc/96/46/49/1186964649.db2.gz ZPPAMXMFOIMWDX-LLVKDONJSA-N 0 0 306.435 3.359 20 10 DGCDRN COC1(C(=O)NCc2ccc(N(C)C)cc2C)CCCCCC1 ZINC001521374415 1187019149 /nfs/dbraw/zinc/01/91/49/1187019149.db2.gz IYQXTRGTZFOAQC-UHFFFAOYSA-N 0 0 318.461 3.417 20 10 DGCDRN O=C(NCc1cccc(O)c1O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001521851081 1187052197 /nfs/dbraw/zinc/05/21/97/1187052197.db2.gz GAAVVYHBURMZPP-CABCVRRESA-N 0 0 315.344 3.047 20 10 DGCDRN Cc1nc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)c(C)o1 ZINC001523560459 1187172794 /nfs/dbraw/zinc/17/27/94/1187172794.db2.gz RMXBSTUXEHXPSW-UHFFFAOYSA-N 0 0 313.401 3.164 20 10 DGCDRN Nc1ccc(CNC(=O)[C@@H](Cc2cccnc2)C2CCCC2)cc1 ZINC001524009484 1187208640 /nfs/dbraw/zinc/20/86/40/1187208640.db2.gz SVCCDAMRTQFVAH-IBGZPJMESA-N 0 0 323.440 3.329 20 10 DGCDRN Cc1cnc(Cl)cc1C(=O)Nc1c2nonc2ccc1Cl ZINC001525080411 1187295628 /nfs/dbraw/zinc/29/56/28/1187295628.db2.gz BNQRHZDFHSQWMZ-UHFFFAOYSA-N 0 0 323.139 3.485 20 10 DGCDRN COCCC[C@H](C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001525106443 1187296776 /nfs/dbraw/zinc/29/67/76/1187296776.db2.gz GOJYCRFCRXODKP-INIZCTEOSA-N 0 0 318.461 3.308 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C12CCC(CC1)C2(C)C ZINC001528094483 1187469053 /nfs/dbraw/zinc/46/90/53/1187469053.db2.gz JYPZZTCRRJZUNX-RMQJPMRHSA-N 0 0 317.429 3.361 20 10 DGCDRN CC(C)(CCC(=O)NCc1cccc(O)c1O)c1ccccc1 ZINC001528771811 1187511368 /nfs/dbraw/zinc/51/13/68/1187511368.db2.gz ZRQLEELBYDIHDS-UHFFFAOYSA-N 0 0 313.397 3.472 20 10 DGCDRN C[C@@H](CCCc1ccccc1)C(=O)NCc1cccc(O)c1O ZINC001528771165 1187511385 /nfs/dbraw/zinc/51/13/85/1187511385.db2.gz LSBWMRYQJIBDMF-AWEZNQCLSA-N 0 0 313.397 3.373 20 10 DGCDRN C[C@H](NC(=O)c1cccc2c1OCC2)c1ccc(N(C)C)cc1 ZINC001529478220 1187561880 /nfs/dbraw/zinc/56/18/80/1187561880.db2.gz AKGHEQNLYTYRRD-ZDUSSCGKSA-N 0 0 310.397 3.179 20 10 DGCDRN CSCCCN(C(=O)/C=C\c1cccnc1)c1cccnc1 ZINC001533740239 1187845928 /nfs/dbraw/zinc/84/59/28/1187845928.db2.gz MRNIFDCYUVIPRZ-FPLPWBNLSA-N 0 0 313.426 3.276 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)cc1 ZINC001534246036 1187884615 /nfs/dbraw/zinc/88/46/15/1187884615.db2.gz RCNDOYILPKZRDA-VIBAHUMZSA-N 0 0 300.446 3.441 20 10 DGCDRN C[C@@H](Cc1cccs1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001615600911 1193524130 /nfs/dbraw/zinc/52/41/30/1193524130.db2.gz VXBRFTUBJMKJBJ-JTQLQIEISA-N 0 0 316.386 3.272 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc3cnccc3c2)cc1F ZINC001535619016 1187971181 /nfs/dbraw/zinc/97/11/81/1187971181.db2.gz JDRSBPQILXLIER-UHFFFAOYSA-N 0 0 323.371 3.370 20 10 DGCDRN Cc1ccncc1/C=C\C(=O)N1CCOc2c(F)ccc(F)c21 ZINC001538194475 1188124856 /nfs/dbraw/zinc/12/48/56/1188124856.db2.gz LEMRWXWQHIMWRS-DJWKRKHSSA-N 0 0 316.307 3.107 20 10 DGCDRN Cc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(N)cc1F ZINC001539188022 1188181373 /nfs/dbraw/zinc/18/13/73/1188181373.db2.gz HEAUBCKXEVLTBW-UHFFFAOYSA-N 0 0 315.392 3.055 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H]1c1ccsc1 ZINC001540973556 1188267454 /nfs/dbraw/zinc/26/74/54/1188267454.db2.gz OCGNDTMYVDSSOT-CYBMUJFWSA-N 0 0 303.383 3.066 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H]2c2ccccn2)cc1 ZINC001542321869 1188282146 /nfs/dbraw/zinc/28/21/46/1188282146.db2.gz LEEZTYJDXGJPSA-HNNXBMFYSA-N 0 0 323.356 3.221 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)nc1C ZINC001542389531 1188283907 /nfs/dbraw/zinc/28/39/07/1188283907.db2.gz FDSAWUUIVDYQKN-UHFFFAOYSA-N 0 0 309.413 3.011 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)/C=C/c1ccc(C=O)cc1 ZINC001543309399 1188327197 /nfs/dbraw/zinc/32/71/97/1188327197.db2.gz CXSMKDOGVNBBEF-DHZHZOJOSA-N 0 0 322.408 3.203 20 10 DGCDRN C[C@@H](c1ccccn1)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001544557761 1188398710 /nfs/dbraw/zinc/39/87/10/1188398710.db2.gz MUCGPDOGAFKZNU-NSHDSACASA-N 0 0 311.345 3.077 20 10 DGCDRN CCN(C)c1nnc(C(C)C)n1Cc1ccc(N(C)C)cc1C ZINC001547323953 1188447258 /nfs/dbraw/zinc/44/72/58/1188447258.db2.gz MGTSBBCMJNEABA-UHFFFAOYSA-N 0 0 315.465 3.280 20 10 DGCDRN C[C@@H](NC(=O)c1cc(Cl)ccc1N)c1ccc(N(C)C)cc1 ZINC001556260947 1188992362 /nfs/dbraw/zinc/99/23/62/1188992362.db2.gz WESXAYVNHGLKDB-LLVKDONJSA-N 0 0 317.820 3.479 20 10 DGCDRN CCN(Cc1occc1C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001557056975 1189038567 /nfs/dbraw/zinc/03/85/67/1189038567.db2.gz LMOUQNXWBRYTJI-UHFFFAOYSA-N 0 0 314.345 3.413 20 10 DGCDRN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CC2CCC1CC2 ZINC001557324075 1189056716 /nfs/dbraw/zinc/05/67/16/1189056716.db2.gz JMDFIUZWDFCBAY-JZDZYBROSA-N 0 0 315.413 3.442 20 10 DGCDRN O=C(NCC1(c2ccccc2F)CCC1)c1cccc(O)c1O ZINC001557345417 1189058442 /nfs/dbraw/zinc/05/84/42/1189058442.db2.gz MSICARPEBSZYDG-UHFFFAOYSA-N 0 0 315.344 3.089 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)/C=C/SCc2ccco2)c1 ZINC001557552272 1189070565 /nfs/dbraw/zinc/07/05/65/1189070565.db2.gz AYPFCXMXHODVEY-SOFGYWHQSA-N 0 0 303.383 3.357 20 10 DGCDRN CCOc1cccc(/C=C/C(=O)NCc2cc(C)ccc2O)c1 ZINC001557553720 1189071480 /nfs/dbraw/zinc/07/14/80/1189071480.db2.gz ZHVPNTHNPPQGQW-CSKARUKUSA-N 0 0 311.381 3.429 20 10 DGCDRN C[C@H](NC(=O)c1ccc(-n2ccnc2)cc1)c1ccccc1O ZINC001557968261 1189095660 /nfs/dbraw/zinc/09/56/60/1189095660.db2.gz WHXKANLCIIZCQH-ZDUSSCGKSA-N 0 0 307.353 3.069 20 10 DGCDRN C[C@H](NC(=O)c1c[nH]nc1-c1ccsc1)c1ccccc1O ZINC001557968046 1189095991 /nfs/dbraw/zinc/09/59/91/1189095991.db2.gz QNWHWYIMIPGXAI-JTQLQIEISA-N 0 0 313.382 3.335 20 10 DGCDRN C[C@H](NC(=O)Cn1cc(C=O)c2ccccc21)c1ccccc1O ZINC001557967840 1189096141 /nfs/dbraw/zinc/09/61/41/1189096141.db2.gz MIHBSOORLZQARB-ZDUSSCGKSA-N 0 0 322.364 3.037 20 10 DGCDRN Cc1cc(Cl)ccc1OCC(=O)N1Cc2cccc(O)c2C1 ZINC001558033913 1189100757 /nfs/dbraw/zinc/10/07/57/1189100757.db2.gz BTJOVSKIEREROZ-UHFFFAOYSA-N 0 0 317.772 3.275 20 10 DGCDRN O=C(CCn1ccc2ccccc21)N1Cc2cccc(O)c2C1 ZINC001558034517 1189100896 /nfs/dbraw/zinc/10/08/96/1189100896.db2.gz FKBBSOYYPHXOKN-UHFFFAOYSA-N 0 0 306.365 3.279 20 10 DGCDRN COc1cnc2ccccc2c1C(=O)N1Cc2cccc(O)c2C1 ZINC001558035663 1189100946 /nfs/dbraw/zinc/10/09/46/1189100946.db2.gz LOSRQKHWVWYPHC-UHFFFAOYSA-N 0 0 320.348 3.105 20 10 DGCDRN Cc1ccc(SCCC(=O)NCc2cccc(O)c2O)cc1 ZINC001558159595 1189107871 /nfs/dbraw/zinc/10/78/71/1189107871.db2.gz ILDOZBIKDMHKRL-UHFFFAOYSA-N 0 0 317.410 3.205 20 10 DGCDRN C[C@@H](CC(=O)NCc1cccc(O)c1O)c1ccc(F)cc1 ZINC001558159590 1189108359 /nfs/dbraw/zinc/10/83/59/1189108359.db2.gz IKRMGIISOJWNCR-NSHDSACASA-N 0 0 303.333 3.047 20 10 DGCDRN Cc1ncccc1CC(=O)NCc1c(O)ccc2ccccc21 ZINC001558553936 1189132872 /nfs/dbraw/zinc/13/28/72/1189132872.db2.gz GUSPFUBQCIANRE-UHFFFAOYSA-N 0 0 306.365 3.108 20 10 DGCDRN CC(C)Oc1ccc(C(=O)NCc2cccc(Cl)c2O)cn1 ZINC001558756961 1189146457 /nfs/dbraw/zinc/14/64/57/1189146457.db2.gz JIJZKWZYMLPMMF-UHFFFAOYSA-N 0 0 320.776 3.158 20 10 DGCDRN O=C(Nc1cc(Cl)c2c(c1)OCCO2)C1=CC(=O)CS1 ZINC001558873126 1189154105 /nfs/dbraw/zinc/15/41/05/1189154105.db2.gz JIFYETOUNIJRAK-UHFFFAOYSA-N 0 0 311.746 3.131 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)Nc1cccnc1[N+](=O)[O-] ZINC001559214632 1189181783 /nfs/dbraw/zinc/18/17/83/1189181783.db2.gz QRDCILATTSEWTB-ZDUSSCGKSA-N 0 0 314.389 3.407 20 10 DGCDRN O=C1c2ccccc2C(=O)N1CCSc1ncc(Cl)s1 ZINC001559446140 1189205936 /nfs/dbraw/zinc/20/59/36/1189205936.db2.gz XFAJABNIRSJCFH-UHFFFAOYSA-N 0 0 324.814 3.185 20 10 DGCDRN CCN(C[C@@H]1C[C@@H]2CCC[C@H]2O1)c1ccc(OC)c(OC)c1 ZINC001559642226 1189225467 /nfs/dbraw/zinc/22/54/67/1189225467.db2.gz HEJDMZCBMXUCDL-CWRNSKLLSA-N 0 0 305.418 3.488 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CC[C@H]3[C@@H](C2)C3(F)F)c1O ZINC001559665906 1189227898 /nfs/dbraw/zinc/22/78/98/1189227898.db2.gz UGBDQWBEJWXWFC-QWHCGFSZSA-N 0 0 315.747 3.335 20 10 DGCDRN COc1nscc1CN1CCCc2cc(OC)cc(OC)c21 ZINC001559910714 1189255026 /nfs/dbraw/zinc/25/50/26/1189255026.db2.gz APZZCRJCWGGUAN-UHFFFAOYSA-N 0 0 320.414 3.122 20 10 DGCDRN COc1ccc(N(C)CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)cc1 ZINC001559970047 1189263249 /nfs/dbraw/zinc/26/32/49/1189263249.db2.gz ZVWBXAVMWKAHEX-WMLDXEAASA-N 0 0 304.434 3.169 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CCCC[C@]23CCOC3)c1O ZINC001560233164 1189295753 /nfs/dbraw/zinc/29/57/53/1189295753.db2.gz SVLBEPFLFXJSLA-QGZVFWFLSA-N 0 0 323.820 3.393 20 10 DGCDRN Cc1nc2ccc(NC/C=C\c3ccc(N(C)C)cc3)cn2n1 ZINC001560514260 1189334879 /nfs/dbraw/zinc/33/48/79/1189334879.db2.gz NCTXFCTYUZGALQ-PLNGDYQASA-N 0 0 307.401 3.229 20 10 DGCDRN Cc1cc(NCc2cccc(F)c2O)ccc1N1CCOCC1 ZINC001560703097 1189363800 /nfs/dbraw/zinc/36/38/00/1189363800.db2.gz AXELIKLBSDATTA-UHFFFAOYSA-N 0 0 316.376 3.288 20 10 DGCDRN CCCC[C@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)OC ZINC001560737697 1189371128 /nfs/dbraw/zinc/37/11/28/1189371128.db2.gz CUAKGUMDNHRXCR-QWPQOLDESA-N 0 0 304.434 3.087 20 10 DGCDRN Cc1nc(NCc2cccc(F)c2O)ccc1-c1cnn(C)c1 ZINC001560846343 1189393019 /nfs/dbraw/zinc/39/30/19/1189393019.db2.gz FTSPNKAIFQBXAT-UHFFFAOYSA-N 0 0 312.348 3.247 20 10 DGCDRN Cc1cc(O)c(CN2C[C@H](CO)c3ccccc32)cc1Cl ZINC001560845920 1189393185 /nfs/dbraw/zinc/39/31/85/1189393185.db2.gz UVHHVGASNWWGGP-CYBMUJFWSA-N 0 0 303.789 3.450 20 10 DGCDRN O=C1CSc2cc(NCc3cc(F)ccc3O)ccc2N1 ZINC001560977298 1189414440 /nfs/dbraw/zinc/41/44/40/1189414440.db2.gz FCDJMMSYVXOLOI-UHFFFAOYSA-N 0 0 304.346 3.188 20 10 DGCDRN Oc1cc(F)c(F)cc1CN[C@@H]1c2ccccc2OC[C@H]1F ZINC001561006529 1189419490 /nfs/dbraw/zinc/41/94/90/1189419490.db2.gz UDWATOLFISJLNI-CZUORRHYSA-N 0 0 309.287 3.232 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc3oc(=O)ccc3c2)c1 ZINC001562273076 1189478549 /nfs/dbraw/zinc/47/85/49/1189478549.db2.gz DBMJIXRQVUGRTD-UHFFFAOYSA-N 0 0 324.336 3.129 20 10 DGCDRN CCc1ccc(NC(=O)NCc2cc(Cl)ccc2O)nc1 ZINC001563219498 1189500837 /nfs/dbraw/zinc/50/08/37/1189500837.db2.gz PLLIBXYMSFHHDF-UHFFFAOYSA-N 0 0 305.765 3.325 20 10 DGCDRN CC(C)CC1(NC(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC001563810122 1189536031 /nfs/dbraw/zinc/53/60/31/1189536031.db2.gz GOYOMZVJPQENIY-UHFFFAOYSA-N 0 0 307.413 3.270 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)NC[C@@H]1CCCC12CC2 ZINC001565166094 1189627644 /nfs/dbraw/zinc/62/76/44/1189627644.db2.gz IASHHPMASVQABI-LBPRGKRZSA-N 0 0 308.809 3.425 20 10 DGCDRN COc1ccccc1[C@H](C)NC(=O)NCc1c(O)cccc1F ZINC001565242627 1189632047 /nfs/dbraw/zinc/63/20/47/1189632047.db2.gz LQMGHIGDXWNWTC-NSHDSACASA-N 0 0 318.348 3.100 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)NCC1(CC2CC2)CC1 ZINC001565280122 1189633985 /nfs/dbraw/zinc/63/39/85/1189633985.db2.gz AATHBNSNSRIBKU-UHFFFAOYSA-N 0 0 308.809 3.425 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(Cl)c1N ZINC001565702138 1189665126 /nfs/dbraw/zinc/66/51/26/1189665126.db2.gz VFMNDEDILGVSAR-UHFFFAOYSA-N 0 0 317.820 3.227 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ccnc(-c2ccccc2)n1 ZINC001566304758 1189761310 /nfs/dbraw/zinc/76/13/10/1189761310.db2.gz UMSFZDDWSMYEBS-UHFFFAOYSA-N 0 0 319.364 3.121 20 10 DGCDRN COc1cccc(CNC(=O)c2cscc2C(F)F)c1O ZINC001566374887 1189765329 /nfs/dbraw/zinc/76/53/29/1189765329.db2.gz XLVBXSHOPQVZIS-UHFFFAOYSA-N 0 0 313.325 3.330 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2onc3ccccc32)c1 ZINC001566374606 1189765595 /nfs/dbraw/zinc/76/55/95/1189765595.db2.gz NZRPUNQSHIFJDV-JTQLQIEISA-N 0 0 312.325 3.033 20 10 DGCDRN O=C(CCCc1ccc(F)c(F)c1)NCc1ccc(O)cc1O ZINC001570462344 1190863778 /nfs/dbraw/zinc/86/37/78/1190863778.db2.gz PQSKDXYPAGLCQB-UHFFFAOYSA-N 0 0 321.323 3.015 20 10 DGCDRN CC(=O)c1cccc(C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001570533961 1190878505 /nfs/dbraw/zinc/87/85/05/1190878505.db2.gz YNVOBBFIQQKIKW-UHFFFAOYSA-N 0 0 320.348 3.073 20 10 DGCDRN CC[C@H](Cc1ccccc1)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001620764907 1191445392 /nfs/dbraw/zinc/44/53/92/1191445392.db2.gz KLKYZEIEBMMSAH-OAHLLOKOSA-N 0 0 300.358 3.411 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCCCCc2ccccc21 ZINC001618282559 1193732369 /nfs/dbraw/zinc/73/23/69/1193732369.db2.gz KAFAMCKYIIINAY-UHFFFAOYSA-N 0 0 311.381 3.400 20 10 DGCDRN COc1ccc(N(C)Cc2cc(=O)[nH]c(-c3ccccc3)n2)cc1 ZINC001619792027 1193761353 /nfs/dbraw/zinc/76/13/53/1193761353.db2.gz PIMGSOGSPRSUCQ-UHFFFAOYSA-N 0 0 321.380 3.494 20 10 DGCDRN CN(C)c1ccc(/C=C/CNc2ccc3c(c2)NC(=O)C3)cc1 ZINC001621065249 1193763534 /nfs/dbraw/zinc/76/35/34/1193763534.db2.gz RIMDDAYKXZVABF-ONEGZZNKSA-N 0 0 307.397 3.373 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCN1CCCCCC1 ZINC001620717796 1193794153 /nfs/dbraw/zinc/79/41/53/1193794153.db2.gz VYPFGIGUBQZSAG-UHFFFAOYSA-N 0 0 300.805 3.150 20 10 DGCDRN C[C@]1(c2ccccc2)CN(Cc2cc(F)c(F)cc2O)CCO1 ZINC001621180921 1193813413 /nfs/dbraw/zinc/81/34/13/1193813413.db2.gz HIAZBEVYWVGHDW-GOSISDBHSA-N 0 0 319.351 3.418 20 10 DGCDRN CN(C)c1cc(F)c(CN2CCC[C@@H](OCC3CC3)C2)cc1F ZINC001621274052 1193825522 /nfs/dbraw/zinc/82/55/22/1193825522.db2.gz XVPSSXBFAOMTOI-OAHLLOKOSA-N 0 0 324.415 3.422 20 10 DGCDRN CC(C)OC(=O)C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])C(C)C ZINC001621413546 1193839486 /nfs/dbraw/zinc/83/94/86/1193839486.db2.gz OXUUTBJWBSUOKD-CYBMUJFWSA-N 0 0 315.360 3.126 20 10 DGCDRN Cn1c2cc(Cl)ccc2nc1CN1Cc2cccc(O)c2C1 ZINC001621491186 1193849633 /nfs/dbraw/zinc/84/96/33/1193849633.db2.gz ZCLJNBQMASPQLA-UHFFFAOYSA-N 0 0 313.788 3.448 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Cc1ccc(F)c(Cl)c1 ZINC001622317509 1193894972 /nfs/dbraw/zinc/89/49/72/1193894972.db2.gz NFNAKEFXPDRRQP-UHFFFAOYSA-N 0 0 307.752 3.386 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1Cc2ccccc2C2(CCC2)C1 ZINC001623791042 1193965296 /nfs/dbraw/zinc/96/52/96/1193965296.db2.gz RCHFJIQFMLORII-UHFFFAOYSA-N 0 0 323.392 3.104 20 10 DGCDRN CC1(C)CC(NC(=O)Cc2ccc(O)c(O)c2)CC(C)(C)C1 ZINC001624076773 1193979579 /nfs/dbraw/zinc/97/95/79/1193979579.db2.gz VMURAWDIERSKSI-UHFFFAOYSA-N 0 0 305.418 3.361 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCc3ccccc3C2)cc1 ZINC001624140133 1193982484 /nfs/dbraw/zinc/98/24/84/1193982484.db2.gz YTKGKQBINMSHEB-UHFFFAOYSA-N 0 0 308.341 3.048 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cccc2[nH]cnc21 ZINC001624321938 1193992496 /nfs/dbraw/zinc/99/24/96/1193992496.db2.gz JFHWDWUVAREEHH-UHFFFAOYSA-N 0 0 320.396 3.093 20 10 DGCDRN C/C(=C/C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)c1cccs1 ZINC001624954859 1194023836 /nfs/dbraw/zinc/02/38/36/1194023836.db2.gz LVYHKODHZJVTDA-NXIHDVOMSA-N 0 0 317.410 3.310 20 10 DGCDRN Cc1cc(CNC(=O)NCC(F)F)c(C)n1-c1cccc(C)c1 ZINC001624966142 1194024502 /nfs/dbraw/zinc/02/45/02/1194024502.db2.gz GYZHRSKAIMRVMD-UHFFFAOYSA-N 0 0 321.371 3.467 20 10 DGCDRN Cc1cc(NC(=O)N(C)Cc2ccccc2O)cn2ccnc12 ZINC001625232588 1194038510 /nfs/dbraw/zinc/03/85/10/1194038510.db2.gz WRQGKKLHNHMIDL-UHFFFAOYSA-N 0 0 310.357 3.012 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)Nc1cccc2c1OCC2 ZINC001626326117 1194072268 /nfs/dbraw/zinc/07/22/68/1194072268.db2.gz WIBZKPCNCCUOHA-UHFFFAOYSA-N 0 0 318.760 3.302 20 10 DGCDRN Cc1cccc(CCNC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001626475533 1194079152 /nfs/dbraw/zinc/07/91/52/1194079152.db2.gz SHOOUZJKCUWTNO-UHFFFAOYSA-N 0 0 310.357 3.130 20 10 DGCDRN CN(C(=O)c1ccc(N=NC(N)=O)cc1)c1ccc(F)c(F)c1 ZINC001626762542 1194095069 /nfs/dbraw/zinc/09/50/69/1194095069.db2.gz XCRTZJMVVLAJCP-UHFFFAOYSA-N 0 0 318.283 3.404 20 10 DGCDRN C[C@H](NC(=O)Nc1cccc2nccnc21)c1ccccc1O ZINC001627016263 1194106836 /nfs/dbraw/zinc/10/68/36/1194106836.db2.gz VRBKRZMINAPGFM-NSHDSACASA-N 0 0 308.341 3.218 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)c1ccc(F)s1 ZINC001627073862 1194110192 /nfs/dbraw/zinc/11/01/92/1194110192.db2.gz YDVMHADDUVYFPB-UHFFFAOYSA-N 0 0 302.330 3.071 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1cc(F)c[nH]1 ZINC001629107411 1194214355 /nfs/dbraw/zinc/21/43/55/1194214355.db2.gz IAODMDBQSXOAIX-UHFFFAOYSA-N 0 0 321.315 3.116 20 10 DGCDRN CC(C)C1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC001629351122 1194228507 /nfs/dbraw/zinc/22/85/07/1194228507.db2.gz IDPXEXZQLRFASI-UHFFFAOYSA-N 0 0 305.399 3.479 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2nc(C(C)(C)C)cs2)c1 ZINC001629740504 1194250371 /nfs/dbraw/zinc/25/03/71/1194250371.db2.gz IWMUSIYZWJYZQQ-UHFFFAOYSA-N 0 0 304.415 3.385 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CCOc2c(F)cccc21 ZINC001629954877 1194261861 /nfs/dbraw/zinc/26/18/61/1194261861.db2.gz IAIPGUOEBXCQFE-AWEZNQCLSA-N 0 0 315.344 3.056 20 10 DGCDRN O=C(Nc1ccc(Oc2cnccn2)cc1)C1=CC(=O)CS1 ZINC001630205411 1194273857 /nfs/dbraw/zinc/27/38/57/1194273857.db2.gz DXXPZWNNURUDSI-UHFFFAOYSA-N 0 0 313.338 3.288 20 10 DGCDRN CCC/C=C\[C@@H](O)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001630698221 1194297750 /nfs/dbraw/zinc/29/77/50/1194297750.db2.gz OUWQAFFDEDORRW-GNJLHFKMSA-N 0 0 316.445 3.010 20 10 DGCDRN C[C@@H](NC(=O)NCCc1cc(F)cc(F)c1)c1ccccc1O ZINC001630933516 1194311199 /nfs/dbraw/zinc/31/11/99/1194311199.db2.gz KEEPAMMLYYSVLA-LLVKDONJSA-N 0 0 320.339 3.273 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc3cnccc3c2)c1 ZINC001631541849 1194340724 /nfs/dbraw/zinc/34/07/24/1194340724.db2.gz BEOBWJLVQOASIL-LBPRGKRZSA-N 0 0 322.364 3.440 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c1 ZINC001631628019 1194345923 /nfs/dbraw/zinc/34/59/23/1194345923.db2.gz QQKIJAUPANWCEQ-IIAWOOMASA-N 0 0 302.418 3.469 20 10 DGCDRN Cc1cc(C(=O)Nn2cnnc2)c(C)n1-c1cccc(C(C)C)c1 ZINC001631626007 1194346272 /nfs/dbraw/zinc/34/62/72/1194346272.db2.gz XPKALQIBNHGNKT-UHFFFAOYSA-N 0 0 323.400 3.193 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)C(C)(C)C(C)C)cc1 ZINC001632049308 1194369054 /nfs/dbraw/zinc/36/90/54/1194369054.db2.gz KPZNDADMLZWMMW-UHFFFAOYSA-N 0 0 306.450 3.272 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CC(=O)c2ccccc21 ZINC001632223326 1194377662 /nfs/dbraw/zinc/37/76/62/1194377662.db2.gz IELKTWKDQANSJS-CQSZACIVSA-N 0 0 315.756 3.032 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1cc2ccccn2c1 ZINC001632223723 1194377765 /nfs/dbraw/zinc/37/77/65/1194377765.db2.gz NXJTUQGVKBUQBV-UHFFFAOYSA-N 0 0 300.745 3.228 20 10 DGCDRN C[C@@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccccc1O ZINC001632250153 1194379077 /nfs/dbraw/zinc/37/90/77/1194379077.db2.gz LNWORMDUIQYZPY-NWDGAFQWSA-N 0 0 303.333 3.176 20 10 DGCDRN C[C@@H](NC(=O)Cc1cc(-c2ccccc2)on1)c1ccccc1O ZINC001632246991 1194379202 /nfs/dbraw/zinc/37/92/02/1194379202.db2.gz PZTFTSRBPWLSJP-CYBMUJFWSA-N 0 0 322.364 3.467 20 10 DGCDRN CCO[C@@]1(C)C[C@H]1NC(=O)c1sccc1-n1c(C)ccc1C ZINC001633295081 1194430644 /nfs/dbraw/zinc/43/06/44/1194430644.db2.gz HZJMOKCLFNCRLL-PBHICJAKSA-N 0 0 318.442 3.453 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCc1cc[nH]n1 ZINC001633491527 1194439900 /nfs/dbraw/zinc/43/99/00/1194439900.db2.gz NZBUJARHJSMXDT-UHFFFAOYSA-N 0 0 322.412 3.098 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1cc2cc(F)ccc2s1 ZINC001633508190 1194440352 /nfs/dbraw/zinc/44/03/52/1194440352.db2.gz LNGXNHSYMYJOGJ-UHFFFAOYSA-N 0 0 317.341 3.382 20 10 DGCDRN CC(C)[C@H](C(=O)NCc1cc(O)ccc1O)c1ccc(F)cc1 ZINC001633599283 1194445193 /nfs/dbraw/zinc/44/51/93/1194445193.db2.gz WGOFSNKHMBBRKR-KRWDZBQOSA-N 0 0 317.360 3.293 20 10 DGCDRN Cc1cc(CC(=O)NCCn2cccc2)c(C)n1-c1ccccc1 ZINC001634563553 1194501779 /nfs/dbraw/zinc/50/17/79/1194501779.db2.gz LYSIARRUCIKPPW-UHFFFAOYSA-N 0 0 321.424 3.255 20 10 DGCDRN CO[C@H]1C[C@H](NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC001634703786 1194510556 /nfs/dbraw/zinc/51/05/56/1194510556.db2.gz RIBFZJDHBZSSGS-KOMQPUFPSA-N 0 0 316.376 3.140 20 10 DGCDRN C[C@H](CC(=O)NCc1c(O)cccc1F)c1ccc(F)cc1 ZINC001635360290 1194546510 /nfs/dbraw/zinc/54/65/10/1194546510.db2.gz IAGIYSDTSWUHNA-LLVKDONJSA-N 0 0 305.324 3.480 20 10 DGCDRN C[C@@H](CC(=O)NCc1c(O)cccc1F)c1ccc(F)cc1 ZINC001635360291 1194546878 /nfs/dbraw/zinc/54/68/78/1194546878.db2.gz IAGIYSDTSWUHNA-NSHDSACASA-N 0 0 305.324 3.480 20 10 DGCDRN O=C(C/C=C\c1ccc(F)cc1)NCc1c(O)cccc1F ZINC001635360400 1194546912 /nfs/dbraw/zinc/54/69/12/1194546912.db2.gz LPOAIGJMPBBUEO-IWQZZHSRSA-N 0 0 303.308 3.390 20 10 DGCDRN O=C(CC1CC(c2ccccc2)C1)NCc1c(O)cccc1O ZINC001635846808 1194575585 /nfs/dbraw/zinc/57/55/85/1194575585.db2.gz BPAGLAHRQOCMML-UHFFFAOYSA-N 0 0 311.381 3.298 20 10 DGCDRN CC(=O)c1ccc(C(=O)NCc2c(O)ccc3ccccc32)o1 ZINC001635968684 1194582028 /nfs/dbraw/zinc/58/20/28/1194582028.db2.gz GSYIXIIKXKNNFN-UHFFFAOYSA-N 0 0 309.321 3.271 20 10 DGCDRN CC(=O)c1cncc(C(=O)NCc2c(O)ccc3ccccc32)c1 ZINC001635968778 1194582862 /nfs/dbraw/zinc/58/28/62/1194582862.db2.gz ICCGXUVHBMSYNT-UHFFFAOYSA-N 0 0 320.348 3.073 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H]1C[C@H]1C(C)C ZINC001635992638 1194584411 /nfs/dbraw/zinc/58/44/11/1194584411.db2.gz VLLMDDWOLMGODZ-FHLIZLRMSA-N 0 0 317.477 3.336 20 10 DGCDRN O=C(c1cnc(-c2ccncc2)s1)N1Cc2cccc(O)c2C1 ZINC001636231192 1194601307 /nfs/dbraw/zinc/60/13/07/1194601307.db2.gz VGRDCKNDHSKLIV-UHFFFAOYSA-N 0 0 323.377 3.067 20 10 DGCDRN Cc1c(Br)cncc1NC(=O)C1=CC(=O)CS1 ZINC001636223436 1194601456 /nfs/dbraw/zinc/60/14/56/1194601456.db2.gz HZIJKCWUUNNLQF-UHFFFAOYSA-N 0 0 313.176 3.172 20 10 DGCDRN CCOC1CN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C1 ZINC001636533296 1194619155 /nfs/dbraw/zinc/61/91/55/1194619155.db2.gz IKXKYXZAXNFWEH-UHFFFAOYSA-N 0 0 312.413 3.263 20 10 DGCDRN C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001636974092 1194643266 /nfs/dbraw/zinc/64/32/66/1194643266.db2.gz QAUZRERZJRHXIV-JSGCOSHPSA-N 0 0 305.418 3.314 20 10 DGCDRN Cc1ccc(SCC(=O)NCc2cc(O)ccc2O)c(C)c1 ZINC001637122204 1194650925 /nfs/dbraw/zinc/65/09/25/1194650925.db2.gz BFNJBAJKEHHCGY-UHFFFAOYSA-N 0 0 317.410 3.123 20 10 DGCDRN C[C@H](CC(=O)NCc1cc(O)ccc1O)c1ccccc1F ZINC001637125646 1194651487 /nfs/dbraw/zinc/65/14/87/1194651487.db2.gz AHOAMOUIOMYMOW-LLVKDONJSA-N 0 0 303.333 3.047 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1c(Cl)ccnc1F ZINC001637231828 1194658312 /nfs/dbraw/zinc/65/83/12/1194658312.db2.gz ACEWWJKSEVTOIQ-UHFFFAOYSA-N 0 0 315.131 3.163 20 10 DGCDRN CCCCC[C@@H](O)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001638243610 1194708616 /nfs/dbraw/zinc/70/86/16/1194708616.db2.gz JEJONXBOAZEMRK-CRAIPNDOSA-N 0 0 320.477 3.049 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1cscc1C(F)(F)F ZINC001638355860 1194713422 /nfs/dbraw/zinc/71/34/22/1194713422.db2.gz ADXCHZADFWHIOK-UHFFFAOYSA-N 0 0 317.288 3.108 20 10 DGCDRN C[C@@H](CC(=O)NCc1ccc2cccnc2c1O)c1ccncc1 ZINC001638573092 1194724591 /nfs/dbraw/zinc/72/45/91/1194724591.db2.gz IRCHOKIJURXVPD-ZDUSSCGKSA-N 0 0 321.380 3.145 20 10 DGCDRN O=C(N[C@H]1C[C@H](c2ccccc2F)C1)c1c(F)ccc(O)c1O ZINC001638644099 1194730278 /nfs/dbraw/zinc/73/02/78/1194730278.db2.gz JLJKCDBKONYIAC-MGCOHNPYSA-N 0 0 319.307 3.052 20 10 DGCDRN O=C(NCc1cc(C2CC2)ccc1F)c1c(F)ccc(O)c1O ZINC001638745079 1194735238 /nfs/dbraw/zinc/73/52/38/1194735238.db2.gz JBHCJGMTYHLALJ-UHFFFAOYSA-N 0 0 319.307 3.183 20 10 DGCDRN CC(C)C[C@@H]1C[C@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001638784077 1194737041 /nfs/dbraw/zinc/73/70/41/1194737041.db2.gz JHZMIFPKTJWMFF-MWLCHTKSSA-N 0 0 305.399 3.477 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(-c2ccon2)c1 ZINC001639183215 1194754607 /nfs/dbraw/zinc/75/46/07/1194754607.db2.gz KWJPLXQEVVXKSA-FNORWQNLSA-N 0 0 322.320 3.405 20 10 DGCDRN CCNc1ccc(Cl)cc1C(=O)NCc1c(O)cccc1O ZINC001639292772 1194759076 /nfs/dbraw/zinc/75/90/76/1194759076.db2.gz QEKBTFMPKNRLIG-UHFFFAOYSA-N 0 0 320.776 3.113 20 10 DGCDRN C[C@@H]1C[C@H](C(=O)NCc2c(O)ccc3ccccc32)CCC1=O ZINC001639384445 1194762768 /nfs/dbraw/zinc/76/27/68/1194762768.db2.gz KMANOLLMULSCHE-TZMCWYRMSA-N 0 0 311.381 3.167 20 10 DGCDRN O=Cc1ccc(C(=O)NCc2c(O)ccc3ccccc32)s1 ZINC001639387698 1194762876 /nfs/dbraw/zinc/76/28/76/1194762876.db2.gz OYJAMKBTOUBEFD-UHFFFAOYSA-N 0 0 311.362 3.349 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1nc2ccc(F)cc2o1 ZINC001639768610 1194780732 /nfs/dbraw/zinc/78/07/32/1194780732.db2.gz JHEMCWSEKRODJW-VIFPVBQESA-N 0 0 302.305 3.421 20 10 DGCDRN COc1ccc(CCC(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001639965466 1194789226 /nfs/dbraw/zinc/78/92/26/1194789226.db2.gz KJSZQSDMIDTFJH-UHFFFAOYSA-N 0 0 319.788 3.303 20 10 DGCDRN O=C(CCOc1ccccc1)NCc1cccc(Cl)c1O ZINC001640402260 1194811086 /nfs/dbraw/zinc/81/10/86/1194811086.db2.gz NUWIVQCBCABHTI-UHFFFAOYSA-N 0 0 305.761 3.131 20 10 DGCDRN O=C(C=Cc1ccc(O)c(O)c1)Nc1cccc2c(=O)[nH]ccc12 ZINC001640655706 1194823750 /nfs/dbraw/zinc/82/37/50/1194823750.db2.gz XGTOAICMYLAOOD-ALCCZGGFSA-N 0 0 322.320 3.004 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccc(C(F)(F)F)cn2)c1 ZINC001640796785 1194828273 /nfs/dbraw/zinc/82/82/73/1194828273.db2.gz PAKHEZHAKZJYFP-UHFFFAOYSA-N 0 0 310.275 3.044 20 10 DGCDRN C[C@H](C(=O)NCc1cc(Cl)ccc1O)c1cccc(O)c1 ZINC001640924474 1194833119 /nfs/dbraw/zinc/83/31/19/1194833119.db2.gz NHVCFYDNGOBKFY-JTQLQIEISA-N 0 0 305.761 3.171 20 10 DGCDRN COC(=O)c1cc(OCC(=O)C2CCCCC2)ccc1N(C)C ZINC001641368796 1194850889 /nfs/dbraw/zinc/85/08/89/1194850889.db2.gz WMNVENKFRCUYCM-UHFFFAOYSA-N 0 0 319.401 3.067 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)Nc2cn[nH]c2)ccc1C ZINC001642784776 1194938912 /nfs/dbraw/zinc/93/89/12/1194938912.db2.gz SOZHNIYLVDGIEG-UHFFFAOYSA-N 0 0 322.368 3.190 20 10 DGCDRN C[C@@H](NC(=O)c1ncccc1Br)c1ccccc1O ZINC001642827764 1194944365 /nfs/dbraw/zinc/94/43/65/1194944365.db2.gz QOIYMHJTVKVEKH-SECBINFHSA-N 0 0 321.174 3.041 20 10 DGCDRN CO[C@@H](C(=O)N[C@@H](C)c1ccccc1O)c1ccc(F)cc1 ZINC001642830894 1194944779 /nfs/dbraw/zinc/94/47/79/1194944779.db2.gz KWRQJZCZHSIDLP-MEDUHNTESA-N 0 0 303.333 3.096 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1c(Cl)cccc1Cl ZINC001643104417 1194996143 /nfs/dbraw/zinc/99/61/43/1194996143.db2.gz XVQAXKMXSHKHCJ-UHFFFAOYSA-N 0 0 312.152 3.335 20 10 DGCDRN O=[N+]([O-])c1cnc(NCc2cc(O)ccc2O)c2ccccc21 ZINC001643130062 1194997501 /nfs/dbraw/zinc/99/75/01/1194997501.db2.gz PAAJQJXJKYTUFW-UHFFFAOYSA-N 0 0 311.297 3.166 20 10 DGCDRN C[C@@H]1CN(C(=O)c2cccnc2-c2cnn(C)c2)c2ccccc21 ZINC001643202739 1195002600 /nfs/dbraw/zinc/00/26/00/1195002600.db2.gz POCHIWLFMADFGP-CYBMUJFWSA-N 0 0 318.380 3.246 20 10 DGCDRN Cc1cc(F)cc(C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001643283308 1195010013 /nfs/dbraw/zinc/01/00/13/1195010013.db2.gz PHURDHZQQOAQMR-UHFFFAOYSA-N 0 0 310.328 3.318 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)c2ccccc2O)cc(NC2CC2)n1 ZINC001643741842 1195051642 /nfs/dbraw/zinc/05/16/42/1195051642.db2.gz BXFQSTVGUQNKGL-GFCCVEGCSA-N 0 0 311.385 3.161 20 10 DGCDRN O=C(c1ccc(Br)s1)N1Cc2cccc(O)c2C1 ZINC001644084157 1195080645 /nfs/dbraw/zinc/08/06/45/1195080645.db2.gz SHLXMFKVYMKYBH-UHFFFAOYSA-N 0 0 324.199 3.372 20 10 DGCDRN CC1(C)CN(C(=O)/C=C\c2cncc(O)c2)c2cc(F)ccc21 ZINC001644331133 1195101091 /nfs/dbraw/zinc/10/10/91/1195101091.db2.gz SBWBJTUMQLXFMK-UTCJRWHESA-N 0 0 312.344 3.264 20 10 DGCDRN O=C(Cc1ccc2c(c1)CCC2)NCc1cc(Cl)ccc1O ZINC001644587372 1195118746 /nfs/dbraw/zinc/11/87/46/1195118746.db2.gz JZTTWEBDBYATAU-UHFFFAOYSA-N 0 0 315.800 3.393 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1cc2cc(Cl)sc2[nH]1 ZINC001644754474 1195131777 /nfs/dbraw/zinc/13/17/77/1195131777.db2.gz YKAJNAQXBDATNC-UHFFFAOYSA-N 0 0 322.773 3.224 20 10 DGCDRN Cc1cc(C(=O)NCc2c(O)cccc2O)c(C)cc1Cl ZINC001645362957 1195178193 /nfs/dbraw/zinc/17/81/93/1195178193.db2.gz GXUGKQFWXNORNR-UHFFFAOYSA-N 0 0 305.761 3.298 20 10 DGCDRN O=C(/C=C\c1ccc(Cl)s1)NCc1c(O)cccc1O ZINC001645366682 1195178312 /nfs/dbraw/zinc/17/83/12/1195178312.db2.gz YKUXMISOXCGDGO-ALCCZGGFSA-N 0 0 309.774 3.142 20 10 DGCDRN COc1cc(Cl)c(F)c(C(=O)NCc2cc(C)ccc2O)c1 ZINC001645804431 1195202042 /nfs/dbraw/zinc/20/20/42/1195202042.db2.gz AFGNPNUBNHCCJE-UHFFFAOYSA-N 0 0 323.751 3.432 20 10 DGCDRN CCN(OC)C(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC001645884379 1195205699 /nfs/dbraw/zinc/20/56/99/1195205699.db2.gz IWFRONYVCPRYOA-UHFFFAOYSA-N 0 0 314.385 3.239 20 10 DGCDRN Cc1nc2cc(NC(=O)Cc3ccc(O)c(O)c3)ccc2s1 ZINC001646229468 1195218209 /nfs/dbraw/zinc/21/82/09/1195218209.db2.gz SXCKYFCNHWBBAV-UHFFFAOYSA-N 0 0 314.366 3.197 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1ccc(-c2ccco2)s1 ZINC001647268651 1195247497 /nfs/dbraw/zinc/24/74/97/1195247497.db2.gz AMVUEDZJHPYQPS-UHFFFAOYSA-N 0 0 315.350 3.349 20 10 DGCDRN Cc1cnc(C(=O)NCc2c(O)ccc3ccccc32)c(C)c1 ZINC001647794127 1195253529 /nfs/dbraw/zinc/25/35/29/1195253529.db2.gz CIQIBNIXXWXVIJ-UHFFFAOYSA-N 0 0 306.365 3.487 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)cc1 ZINC001648257412 1195287099 /nfs/dbraw/zinc/28/70/99/1195287099.db2.gz ICVXENYPTIFMEF-RCCFBDPRSA-N 0 0 310.397 3.144 20 10 DGCDRN C[C@@H]1Cc2cc(C(=O)NCc3cccc(Cl)c3O)ccc2O1 ZINC001648609162 1195313085 /nfs/dbraw/zinc/31/30/85/1195313085.db2.gz SEQOGKHCEOHRBI-SNVBAGLBSA-N 0 0 317.772 3.299 20 10 DGCDRN C[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])Oc1cccc(F)c1 ZINC001650621514 1195365618 /nfs/dbraw/zinc/36/56/18/1195365618.db2.gz OBWNXDAECZZASD-SNVBAGLBSA-N 0 0 311.303 3.367 20 10 DGCDRN C[C@H](C(=O)NCc1cccc(O)c1O)c1ccc(Cl)cc1 ZINC001651175657 1195423469 /nfs/dbraw/zinc/42/34/69/1195423469.db2.gz HVONHOPAXBLWGE-JTQLQIEISA-N 0 0 305.761 3.171 20 10 DGCDRN CC1(C)C[C@@]1(C(=O)NCc1cc(O)ccc1O)c1ccccc1 ZINC001651225501 1195429060 /nfs/dbraw/zinc/42/90/60/1195429060.db2.gz MGENRLAMLDTEAN-IBGZPJMESA-N 0 0 311.381 3.082 20 10 DGCDRN O=C1COc2cccc(NCc3c(O)ccc(Cl)c3F)c2N1 ZINC001651466695 1195466629 /nfs/dbraw/zinc/46/66/29/1195466629.db2.gz DGKJSYWMYIFWLV-UHFFFAOYSA-N 0 0 322.723 3.128 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CC[C@H](CC(C)C)C2)cc1OC ZINC001651582723 1195481950 /nfs/dbraw/zinc/48/19/50/1195481950.db2.gz HSOKABMIAOYGCE-GFCCVEGCSA-N 0 0 308.378 3.484 20 10 DGCDRN Cc1cnc(C)nc1NCc1cccc(Br)c1O ZINC001651820150 1195513362 /nfs/dbraw/zinc/51/33/62/1195513362.db2.gz VXYKLRXYHPLQGC-UHFFFAOYSA-N 0 0 308.179 3.174 20 10 DGCDRN C[N@H+](Cc1ccc(F)c(F)c1[O-])Cc1ccccc1[N+](=O)[O-] ZINC001651823244 1195513826 /nfs/dbraw/zinc/51/38/26/1195513826.db2.gz RJDZSDPEEGLRBV-UHFFFAOYSA-N 0 0 308.284 3.211 20 10 DGCDRN Cc1cc(C(=O)Cn2ccnn2)c(C)n1-c1ccc(C)c(F)c1 ZINC001651974185 1195530143 /nfs/dbraw/zinc/53/01/43/1195530143.db2.gz OEDBFUFONFZKML-UHFFFAOYSA-N 0 0 312.348 3.016 20 10 DGCDRN COC(=O)c1cnc(SCc2cnc(Cl)c(F)c2)s1 ZINC001652002775 1195536056 /nfs/dbraw/zinc/53/60/56/1195536056.db2.gz SZPAYODKKYMWHS-UHFFFAOYSA-N 0 0 318.782 3.410 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ccc(-c2ncn(C)n2)cc1 ZINC001652146114 1195553236 /nfs/dbraw/zinc/55/32/36/1195553236.db2.gz FKPWVUUBUGUROI-UHFFFAOYSA-N 0 0 321.428 3.469 20 10 DGCDRN COc1ccc(C(=O)NCc2c(O)cccc2F)c(Cl)c1 ZINC001652295914 1195576386 /nfs/dbraw/zinc/57/63/86/1195576386.db2.gz VDNXPMFFJYJZPL-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001652295301 1195577066 /nfs/dbraw/zinc/57/70/66/1195577066.db2.gz GTDFFVXVXOQHSA-UHFFFAOYSA-N 0 0 324.695 3.023 20 10 DGCDRN Cc1csc2nc(C)c(C[NH2+]Cc3c([O-])cccc3F)n12 ZINC001653131445 1195690574 /nfs/dbraw/zinc/69/05/74/1195690574.db2.gz MICRSGJHZMXUTC-UHFFFAOYSA-N 0 0 305.378 3.147 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2CCSC(F)(F)F ZINC001653144944 1195691952 /nfs/dbraw/zinc/69/19/52/1195691952.db2.gz RLDVDAHOFCNMQE-UHFFFAOYSA-N 0 0 306.353 3.204 20 10 DGCDRN COc1cc(C)c(C[NH2+]Cc2cccc(Cl)c2[O-])c(O)c1 ZINC001653231646 1195701906 /nfs/dbraw/zinc/70/19/06/1195701906.db2.gz WUBJWOGZRLJWTN-UHFFFAOYSA-N 0 0 307.777 3.358 20 10 DGCDRN COc1ccc(N(C)C[C@H]2COC3(CCCCC3)O2)cc1OC ZINC001653261364 1195705175 /nfs/dbraw/zinc/70/51/75/1195705175.db2.gz VTDRSQQEKXIGAK-HNNXBMFYSA-N 0 0 321.417 3.216 20 10 DGCDRN CCc1cccc(CN[C@H](c2nccn2C)C(F)(F)F)c1O ZINC001653283557 1195706507 /nfs/dbraw/zinc/70/65/07/1195706507.db2.gz KNFBTMAVSHGUOS-CYBMUJFWSA-N 0 0 313.323 3.081 20 10 DGCDRN COc1ccc(N(C)CCOC(=O)Cc2ccccc2)cc1F ZINC001653680241 1195744036 /nfs/dbraw/zinc/74/40/36/1195744036.db2.gz QUDMEUWYWCATBM-UHFFFAOYSA-N 0 0 317.360 3.056 20 10 DGCDRN CCN(C[C@H]1CC[C@H](C2CC2)O1)c1ccc(OC)c(OC)c1 ZINC001653749375 1195747962 /nfs/dbraw/zinc/74/79/62/1195747962.db2.gz LZXPKRLTQKXXLE-HZPDHXFCSA-N 0 0 305.418 3.488 20 10 DGCDRN COc1cc2c(c(OC)c1)N(Cc1cccnc1OC)CCC2 ZINC001654742046 1195835149 /nfs/dbraw/zinc/83/51/49/1195835149.db2.gz VCKJRQNJLHZLPK-UHFFFAOYSA-N 0 0 314.385 3.060 20 10 DGCDRN COc1nc(C)cc(N(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC001655004602 1195863824 /nfs/dbraw/zinc/86/38/24/1195863824.db2.gz TYKZQBRVADVHSU-UHFFFAOYSA-N 0 0 312.417 3.029 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)OCC[C@H]2C)c1O ZINC001655120591 1195879315 /nfs/dbraw/zinc/87/93/15/1195879315.db2.gz RAJSIHAWVPDDCU-GHMZBOCLSA-N 0 0 311.809 3.248 20 10 DGCDRN COc1ccc(N(C)CCN(C)c2sccc2[N+](=O)[O-])cc1 ZINC001655639310 1195943861 /nfs/dbraw/zinc/94/38/61/1195943861.db2.gz NSQMPSVYZLUZLB-UHFFFAOYSA-N 0 0 321.402 3.238 20 10 DGCDRN C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1cccc(F)c1F ZINC001655950898 1195981869 /nfs/dbraw/zinc/98/18/69/1195981869.db2.gz VTCMQXUKMOEBID-VIFPVBQESA-N 0 0 308.284 3.429 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1nnc2ccccn21 ZINC001656703541 1196063990 /nfs/dbraw/zinc/06/39/90/1196063990.db2.gz ZLWKEYMVUCERND-VIFPVBQESA-N 0 0 320.755 3.078 20 10 DGCDRN Cc1cc(C(=O)COc2cncnc2)c(C)n1-c1ccccc1C ZINC001656937621 1196085135 /nfs/dbraw/zinc/08/51/35/1196085135.db2.gz BBAZTNZZZSYOFW-UHFFFAOYSA-N 0 0 321.380 3.454 20 10 DGCDRN COc1ccc(N(C)CC(=O)c2ccccc2F)cc1OC ZINC001657126367 1196108162 /nfs/dbraw/zinc/10/81/62/1196108162.db2.gz JSGIVGPCPRFDCP-UHFFFAOYSA-N 0 0 303.333 3.162 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001657195288 1196116781 /nfs/dbraw/zinc/11/67/81/1196116781.db2.gz YQHOKLASSHJIQB-WFASDCNBSA-N 0 0 316.367 3.213 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC001657470283 1196146371 /nfs/dbraw/zinc/14/63/71/1196146371.db2.gz GIEYARZZMSTRLT-KRWDZBQOSA-N 0 0 319.351 3.152 20 10 DGCDRN COc1cc(F)ccc1NC(=O)NCc1c(O)cccc1F ZINC001657934767 1196194630 /nfs/dbraw/zinc/19/46/30/1196194630.db2.gz KSBCVWWRSCVZSU-UHFFFAOYSA-N 0 0 308.284 3.001 20 10 DGCDRN [O-]c1cc(Cl)ccc1C[NH2+]CCc1ccc2c[nH]nc2c1 ZINC001658091661 1196211055 /nfs/dbraw/zinc/21/10/55/1196211055.db2.gz ULJNGFNBYQLKRU-UHFFFAOYSA-N 0 0 301.777 3.254 20 10 DGCDRN Cc1ccc(CNc2ccc3c(cc(C)c(=O)n3C)c2)c(O)c1 ZINC001658185726 1196222612 /nfs/dbraw/zinc/22/26/12/1196222612.db2.gz FODQDACCJLFINX-UHFFFAOYSA-N 0 0 308.381 3.473 20 10 DGCDRN COc1cc(C)c(C[N@H+](C)[C@H]2C[C@@](C)(OC)C2(C)C)c(O)c1 ZINC001658294270 1196236248 /nfs/dbraw/zinc/23/62/48/1196236248.db2.gz QKDCRKTVZFUUMH-FUHWJXTLSA-N 0 0 307.434 3.345 20 10 DGCDRN COc1ccc(C[C@H]2CC[N@@H+]2Cc2cccc(F)c2[O-])cc1 ZINC001658418380 1196254364 /nfs/dbraw/zinc/25/43/64/1196254364.db2.gz WQGDVYUKFMVTBE-OAHLLOKOSA-N 0 0 301.361 3.357 20 10 DGCDRN Oc1cc(Cl)ccc1CN1CCc2nc[nH]c2C12CCC2 ZINC001658435857 1196256360 /nfs/dbraw/zinc/25/63/60/1196256360.db2.gz JXHOHMQGIHUCPL-UHFFFAOYSA-N 0 0 303.793 3.206 20 10 DGCDRN CN(C)c1ccc(/C=C/CN2c3ccccc3C[C@@H]2CO)cc1 ZINC001658440466 1196256914 /nfs/dbraw/zinc/25/69/14/1196256914.db2.gz HMRCBYSDVDRGPG-ZMBJWTFHSA-N 0 0 308.425 3.189 20 10 DGCDRN CC[C@@H](C(=O)OC(C)(C)C)N(C)Cc1cc(F)c(F)cc1O ZINC001658464776 1196260877 /nfs/dbraw/zinc/26/08/77/1196260877.db2.gz AQGJDNHDBQAHTQ-ZDUSSCGKSA-N 0 0 315.360 3.223 20 10 DGCDRN COC(=O)[C@H](NCc1ccc(Cl)cc1O)c1ccccc1F ZINC001658926252 1196320320 /nfs/dbraw/zinc/32/03/20/1196320320.db2.gz WPXHNEZDAVFCKV-OAHLLOKOSA-N 0 0 323.751 3.189 20 10 DGCDRN Cc1ccc(NC(=O)CN(C)Cc2ccc(Cl)cc2O)cc1 ZINC001659015378 1196331991 /nfs/dbraw/zinc/33/19/91/1196331991.db2.gz PFKKPZDZRGQJDS-UHFFFAOYSA-N 0 0 318.804 3.425 20 10 DGCDRN CC(C)[C@H](CO)[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])C(C)C ZINC001659259590 1196364080 /nfs/dbraw/zinc/36/40/80/1196364080.db2.gz UOBOUFPLBWRVOR-WFASDCNBSA-N 0 0 301.377 3.049 20 10 DGCDRN Cc1ccc(C[NH2+]C[C@H](C(=O)OC(C)(C)C)C(C)C)c(O)c1 ZINC001659543342 1196394258 /nfs/dbraw/zinc/39/42/58/1196394258.db2.gz ZPEDODWZESTSNJ-HNNXBMFYSA-N 0 0 307.434 3.404 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(F)c(F)cc1[O-])[C@](C)(O)c1ccccc1 ZINC001659577633 1196396744 /nfs/dbraw/zinc/39/67/44/1196396744.db2.gz HFPHYUFGKFUVCI-GTNSWQLSSA-N 0 0 307.340 3.056 20 10 DGCDRN O=c1[nH]ccc2cc(NCc3cc(F)c(F)cc3O)ccc21 ZINC001659629712 1196401236 /nfs/dbraw/zinc/40/12/36/1196401236.db2.gz MGYQTXMVSRKRAM-UHFFFAOYSA-N 0 0 302.280 3.124 20 10 DGCDRN O=c1[nH]ccc2oc(C[NH2+]Cc3cc(Cl)ccc3O)cc21 ZINC001660170781 1196453852 /nfs/dbraw/zinc/45/38/52/1196453852.db2.gz MACWCGTXOXJSTB-UHFFFAOYSA-N 0 0 304.733 3.182 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC001660369525 1196476335 /nfs/dbraw/zinc/47/63/35/1196476335.db2.gz DWWQPRVQMXEDRS-CALCHBBNSA-N 0 0 309.356 3.063 20 10 DGCDRN C[C@@H]1CC[C@@H]1NC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001662815406 1196754847 /nfs/dbraw/zinc/75/48/47/1196754847.db2.gz RNQTZYOQBZGIRN-OLZOCXBDSA-N 0 0 321.384 3.316 20 10 DGCDRN C[C@@H](NC(=O)Nc1cc2ccccc2nn1)c1ccccc1O ZINC001662982002 1196779603 /nfs/dbraw/zinc/77/96/03/1196779603.db2.gz XYLXTXDBAUEWDJ-LLVKDONJSA-N 0 0 308.341 3.218 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)Nc1ccc2c(c1)CCO2 ZINC001666560799 1197269535 /nfs/dbraw/zinc/26/95/35/1197269535.db2.gz DCBWDUSXQRBVFR-UHFFFAOYSA-N 0 0 318.760 3.302 20 10 DGCDRN C[C@@H](Cc1ccccc1F)NC(=O)NCc1c(O)cccc1F ZINC001667195502 1197328599 /nfs/dbraw/zinc/32/85/99/1197328599.db2.gz YUNSKLCAHNDPEO-NSHDSACASA-N 0 0 320.339 3.101 20 10 DGCDRN C[C@H](Cc1ccccc1F)NC(=O)NCc1c(O)cccc1F ZINC001667195499 1197328701 /nfs/dbraw/zinc/32/87/01/1197328701.db2.gz YUNSKLCAHNDPEO-LLVKDONJSA-N 0 0 320.339 3.101 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2cc(F)c(F)cc2F)c1 ZINC001668433178 1197414363 /nfs/dbraw/zinc/41/43/63/1197414363.db2.gz ZTIRGXXGVNGKGQ-UHFFFAOYSA-N 0 0 310.275 3.440 20 10 DGCDRN CC[C@H](C)c1ncc(NC(=O)NCc2c(O)cccc2F)cn1 ZINC001669299810 1197448035 /nfs/dbraw/zinc/44/80/35/1197448035.db2.gz NEBZJTZZCVEIQX-JTQLQIEISA-N 0 0 318.352 3.157 20 10 DGCDRN Cc1cc(C)nc(NC(=O)NCc2cccc(Cl)c2O)c1 ZINC001669971598 1197512758 /nfs/dbraw/zinc/51/27/58/1197512758.db2.gz OUEAFSKJLRRSGP-UHFFFAOYSA-N 0 0 305.765 3.379 20 10 DGCDRN CC(C)O[C@H]1C[C@H](NC(=O)N[C@@H](C)c2ccccc2O)C1(C)C ZINC001671411302 1197538568 /nfs/dbraw/zinc/53/85/68/1197538568.db2.gz SRCZIGICWKOSAW-RCBQFDQVSA-N 0 0 320.433 3.345 20 10 DGCDRN CCC(=O)c1ccc(NC(=O)NCc2c(O)cccc2F)cc1 ZINC001673078804 1197636803 /nfs/dbraw/zinc/63/68/03/1197636803.db2.gz VVHXCSDATXEPKQ-UHFFFAOYSA-N 0 0 316.332 3.446 20 10 DGCDRN CSc1cccc(NC(=O)N[C@H](C)c2ccccc2O)n1 ZINC001677362796 1198523591 /nfs/dbraw/zinc/52/35/91/1198523591.db2.gz LGVOLQLBGJEGJA-SNVBAGLBSA-N 0 0 303.387 3.392 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1C[C@H]1C(C)C ZINC001677377597 1198526090 /nfs/dbraw/zinc/52/60/90/1198526090.db2.gz LFAVQWAMJAWEDW-RDJZCZTQSA-N 0 0 303.450 3.152 20 10 DGCDRN O=C(NCc1c(O)cccc1F)N[C@@H](c1ccccc1)C(F)F ZINC001677779275 1198588133 /nfs/dbraw/zinc/58/81/33/1198588133.db2.gz RZUSQVRQKLQFGD-AWEZNQCLSA-N 0 0 324.302 3.337 20 10 DGCDRN COc1cc(NC(=O)NCc2cc(C)ccc2O)cc(Cl)n1 ZINC001678324896 1198668573 /nfs/dbraw/zinc/66/85/73/1198668573.db2.gz DDKMBTJOYGILAL-UHFFFAOYSA-N 0 0 321.764 3.079 20 10 DGCDRN C[C@H](NC(=O)Nc1c(-c2ccccn2)nc2ccccn21)C1CC1 ZINC001678579407 1198707482 /nfs/dbraw/zinc/70/74/82/1198707482.db2.gz BNCCJUIOMLKEFN-LBPRGKRZSA-N 0 0 321.384 3.316 20 10 DGCDRN CSc1cc(NC(=O)N[C@H](C)c2ccccc2O)ccn1 ZINC001679336528 1198784952 /nfs/dbraw/zinc/78/49/52/1198784952.db2.gz FNKAVHPDUSCKFE-SNVBAGLBSA-N 0 0 303.387 3.392 20 10 DGCDRN Cc1cccc([C@@H](C)CNC(=O)NCc2c(O)cccc2F)c1 ZINC001679567448 1198806983 /nfs/dbraw/zinc/80/69/83/1198806983.db2.gz OFFQAVKYUNTNSB-ZDUSSCGKSA-N 0 0 316.376 3.443 20 10 DGCDRN COc1cc(C)cc(NC(=O)NCc2c(O)cccc2F)c1C ZINC001679771474 1198821915 /nfs/dbraw/zinc/82/19/15/1198821915.db2.gz VAFFELKHXMSGIY-UHFFFAOYSA-N 0 0 318.348 3.478 20 10 DGCDRN C[C@@H](NC(=O)NCc1cccc(Cl)c1O)c1cccc(O)c1 ZINC001681319542 1198986374 /nfs/dbraw/zinc/98/63/74/1198986374.db2.gz AFHDSLLFUDILOO-SNVBAGLBSA-N 0 0 320.776 3.312 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC1CC(F)(F)C1 ZINC001681605236 1199041323 /nfs/dbraw/zinc/04/13/23/1199041323.db2.gz SKNPUUKONQRQKO-UHFFFAOYSA-N 0 0 323.387 3.226 20 10 DGCDRN O=C(NCc1cc2ccccc2o1)NCc1c(O)cccc1F ZINC001682227961 1199144181 /nfs/dbraw/zinc/14/41/81/1199144181.db2.gz IQBBCMCQABAKBT-UHFFFAOYSA-N 0 0 314.316 3.277 20 10 DGCDRN COc1cccc(CNC(=O)NCC2C[C@H](C)C[C@@H](C)C2)c1O ZINC001682577658 1199173986 /nfs/dbraw/zinc/17/39/86/1199173986.db2.gz DFIYAERAPFPPFZ-CHWSQXEVSA-N 0 0 320.433 3.272 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC/C=C\Cl)cc1F ZINC001684270204 1199367469 /nfs/dbraw/zinc/36/74/69/1199367469.db2.gz XGDIEBZJJFSWCN-YVMONPNESA-N 0 0 313.804 3.224 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@]12C[C@H]1CCC2 ZINC001684305829 1199373658 /nfs/dbraw/zinc/37/36/58/1199373658.db2.gz QDSRNZOXAKWHFN-QAPCUYQASA-N 0 0 301.434 3.050 20 10 DGCDRN O=C(NC/C=C/c1ccccc1)NCc1c(O)cccc1F ZINC001684421736 1199384162 /nfs/dbraw/zinc/38/41/62/1199384162.db2.gz RLWMRTDOBNKCSQ-VMPITWQZSA-N 0 0 300.333 3.044 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCc2c(C)cccc2F)c1 ZINC001684934445 1199428139 /nfs/dbraw/zinc/42/81/39/1199428139.db2.gz UVHXXFXBXAOOLU-UHFFFAOYSA-N 0 0 302.349 3.148 20 10 DGCDRN O=C(NCc1cc2ccccc2[nH]1)NCc1c(O)cccc1F ZINC001686451815 1199564843 /nfs/dbraw/zinc/56/48/43/1199564843.db2.gz VRTJWOSBUPRJSS-UHFFFAOYSA-N 0 0 313.332 3.012 20 10 DGCDRN CC/C=C/CNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001686574018 1199572983 /nfs/dbraw/zinc/57/29/83/1199572983.db2.gz LWSUUBSRYLAGGN-KIUWMYQTSA-N 0 0 303.450 3.257 20 10 DGCDRN COc1ccc(CNC(=O)N[C@H](C)c2ccc(F)cc2)c(O)c1 ZINC001687771829 1199634980 /nfs/dbraw/zinc/63/49/80/1199634980.db2.gz WAJWGWXTWNTXIL-LLVKDONJSA-N 0 0 318.348 3.100 20 10 DGCDRN Cc1cc(C(N)=O)ccc1NCc1ccc(N2CCCC2)cc1 ZINC000319873192 1199842835 /nfs/dbraw/zinc/84/28/35/1199842835.db2.gz WAMLCMKHRJNKAX-UHFFFAOYSA-N 0 0 309.413 3.306 20 10 DGCDRN Cc1nnc(N2CCC[C@H]2C)n1CCCSc1nccs1 ZINC001742820160 1201284804 /nfs/dbraw/zinc/28/48/04/1201284804.db2.gz OMWHJTYSDLPQOH-LLVKDONJSA-N 0 0 323.491 3.214 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1C=CCCC1 ZINC000158715376 1202603909 /nfs/dbraw/zinc/60/39/09/1202603909.db2.gz NAKHOUUDOQMZGO-CQSZACIVSA-N 0 0 300.402 3.179 20 10 DGCDRN S=C(NCc1ccccn1)Nc1ccccc1Br ZINC000242441853 1203567252 /nfs/dbraw/zinc/56/72/52/1203567252.db2.gz BMTCGNSSDDCDQC-UHFFFAOYSA-N 0 0 322.231 3.331 20 10 DGCDRN Cc1ccc(S(=O)(=O)Nc2cccc(N(C)C)c2)c(C)c1 ZINC000243088483 1203581697 /nfs/dbraw/zinc/58/16/97/1203581697.db2.gz IUXLNDBGCKLDKN-UHFFFAOYSA-N 0 0 304.415 3.170 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)C3CCCCC3)CC2)cc1 ZINC000244093788 1203606332 /nfs/dbraw/zinc/60/63/32/1203606332.db2.gz UFHJMFLQMJAWJD-UHFFFAOYSA-N 0 0 316.445 3.314 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[N@@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC001594311219 958024498 /nfs/dbraw/zinc/02/44/98/958024498.db2.gz GDQMLSHQPKRIIV-MRXNPFEDSA-N 0 0 304.434 3.280 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](CC(=O)[O-])CC(C)C ZINC001574332937 960898467 /nfs/dbraw/zinc/89/84/67/960898467.db2.gz GWHFFJWJAKJDLH-HNNXBMFYSA-N 0 0 306.450 3.288 20 10 DGCDRN CC(C)c1cc(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)on1 ZINC001591931553 976440172 /nfs/dbraw/zinc/44/01/72/976440172.db2.gz VFEXLPUYYBJCMP-SNVBAGLBSA-N 0 0 304.346 3.053 20 10 DGCDRN C[C@](CC(=O)[O-])([NH2+]Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001592328291 977746340 /nfs/dbraw/zinc/74/63/40/977746340.db2.gz KOAJWMJHNGJLRL-GOSISDBHSA-N 0 0 302.418 3.020 20 10 DGCDRN CCCN(Cc1cc(C(=O)[O-])c(CC)[nH]1)c1ccc(C[NH3+])cc1 ZINC001595885745 982908629 /nfs/dbraw/zinc/90/86/29/982908629.db2.gz DTXTZHBFIMRGSB-UHFFFAOYSA-N 0 0 315.417 3.151 20 10 DGCDRN CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](CC(=O)[O-])C2)cc1 ZINC001596194825 983577848 /nfs/dbraw/zinc/57/78/48/983577848.db2.gz SRIAVVNWBUEXNR-OFQRWUPVSA-N 0 0 304.434 3.437 20 10 DGCDRN C[C@@H]1[C@H](C)C[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])[C@H]1C ZINC001594536403 986151837 /nfs/dbraw/zinc/15/18/37/986151837.db2.gz QGECZEJZVOMTBD-UTUOFQBUSA-N 0 0 318.392 3.492 20 10 DGCDRN CCOc1cccc(C[NH2+][C@H](CC2CCCCC2)C(=O)[O-])c1O ZINC001597155240 986948157 /nfs/dbraw/zinc/94/81/57/986948157.db2.gz JIMVDLKINHPFNE-OAHLLOKOSA-N 0 0 321.417 3.304 20 10 DGCDRN CC(C)(C(=O)[O-])[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccccc1 ZINC001589601207 987425617 /nfs/dbraw/zinc/42/56/17/987425617.db2.gz ISLBQPSJHRDFOK-MRXNPFEDSA-N 0 0 317.360 3.473 20 10 DGCDRN CN(C)c1ccc(C[N@H+](C)[C@H](C(=O)[O-])c2ccccc2)cc1F ZINC001598317378 991302808 /nfs/dbraw/zinc/30/28/08/991302808.db2.gz FKLOLODDGQRIOV-KRWDZBQOSA-N 0 0 316.376 3.149 20 10 DGCDRN CN(C)c1ccc(C[N@H+](C)[C@@H](C(=O)[O-])c2ccccc2)cc1F ZINC001598317380 991303047 /nfs/dbraw/zinc/30/30/47/991303047.db2.gz FKLOLODDGQRIOV-QGZVFWFLSA-N 0 0 316.376 3.149 20 10 DGCDRN CN(C)c1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1 ZINC001598317856 991307081 /nfs/dbraw/zinc/30/70/81/991307081.db2.gz MSGZQLNALBPZRJ-RBUKOAKNSA-N 0 0 324.424 3.053 20 10 DGCDRN C[C@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1cc(C(=O)[O-])ccc1O ZINC001593208263 994222666 /nfs/dbraw/zinc/22/26/66/994222666.db2.gz AJEINNILGBRSTQ-APPDUMDISA-N 0 0 312.369 3.287 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1cc(C(=O)[O-])ccc1O ZINC001593251728 994499489 /nfs/dbraw/zinc/49/94/89/994499489.db2.gz KSFDAOGGPFAFCW-XNKSSIQNSA-N 0 0 323.392 3.327 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(C(=O)[O-])cc1F)c1ccc(N(C)C)cc1 ZINC001593297384 994701849 /nfs/dbraw/zinc/70/18/49/994701849.db2.gz UQJKIPQUVNUYKD-GFCCVEGCSA-N 0 0 316.376 3.441 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(C(=O)[O-])cc1F)c1ccc(N(C)C)cc1 ZINC001593297386 994702412 /nfs/dbraw/zinc/70/24/12/994702412.db2.gz UQJKIPQUVNUYKD-LBPRGKRZSA-N 0 0 316.376 3.441 20 10 DGCDRN C[C@@H]([NH2+]Cc1cccc2cccnc21)c1cc(C(=O)[O-])ccc1O ZINC001593303224 994733368 /nfs/dbraw/zinc/73/33/68/994733368.db2.gz FOHDDHBUPYWUHJ-GFCCVEGCSA-N 0 0 322.364 3.489 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc2ncccc2c1)c1cc(C(=O)[O-])ccc1O ZINC001593304274 994743072 /nfs/dbraw/zinc/74/30/72/994743072.db2.gz KIROARJATOVXRX-LBPRGKRZSA-N 0 0 322.364 3.489 20 10 DGCDRN COc1cc(Cl)cc(C[NH2+][C@@H](CC(C)(C)C)C(=O)[O-])c1O ZINC001599420688 997588795 /nfs/dbraw/zinc/58/87/95/997588795.db2.gz OZNFDLFGOIYEKP-NSHDSACASA-N 0 0 315.797 3.033 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C[C@@H]1F ZINC001594422730 999575777 /nfs/dbraw/zinc/57/57/77/999575777.db2.gz IQVCOBSOOIDZHT-YGRLFVJLSA-N 0 0 322.355 3.196 20 10 DGCDRN O=c1cc(-c2cnccc2Br)ccn1CC1CC1 ZINC001243058585 1102503865 /nfs/dbraw/zinc/50/38/65/1102503865.db2.gz XXBQJQXATPLJLZ-UHFFFAOYSA-N 0 0 305.175 3.083 20 10 DGCDRN Oc1ccc(CNc2nc(Cl)nc3c2SCCC3)cc1O ZINC001169990137 1081792237 /nfs/dbraw/zinc/79/22/37/1081792237.db2.gz BFHXUZQEVHVNON-UHFFFAOYSA-N 0 0 323.805 3.192 20 10 DGCDRN Cc1nc(Cl)c(NCc2ccc(O)c(O)c2)c(Cl)n1 ZINC001169993727 1081806492 /nfs/dbraw/zinc/80/64/92/1081806492.db2.gz ZBSAAIAMMUCUGQ-UHFFFAOYSA-N 0 0 300.145 3.115 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Cc2c[nH]c3c2cccc3C)c1 ZINC001167294077 1081914080 /nfs/dbraw/zinc/91/40/80/1081914080.db2.gz XFVTXDYYIHHNBY-UHFFFAOYSA-N 0 0 308.381 3.349 20 10 DGCDRN C[C@H]1Oc2ccc(NCc3cc(F)cc(F)c3O)cc2NC1=O ZINC001648862399 1081949137 /nfs/dbraw/zinc/94/91/37/1081949137.db2.gz YZRYGMNATUCNFI-MRVPVSSYSA-N 0 0 320.295 3.002 20 10 DGCDRN CC(=O)Nc1cccc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])c1 ZINC001648866374 1081950825 /nfs/dbraw/zinc/95/08/25/1081950825.db2.gz UMMURZSSKJKNJG-UHFFFAOYSA-N 0 0 322.767 3.433 20 10 DGCDRN C[C@H](NC(=O)c1cn(-c2ccccc2)cn1)c1ccccc1O ZINC001648894957 1081955082 /nfs/dbraw/zinc/95/50/82/1081955082.db2.gz XSJXEQZIMNEEEO-ZDUSSCGKSA-N 0 0 307.353 3.069 20 10 DGCDRN Cc1cccc(C=C2SC(=S)NC2=O)c1OC(F)F ZINC000588393744 1082126251 /nfs/dbraw/zinc/12/62/51/1082126251.db2.gz ZDQZCBBYJZTXAI-VMPITWQZSA-N 0 0 301.339 3.085 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H]1CCCc2ccccc21 ZINC000588403776 1082147676 /nfs/dbraw/zinc/14/76/76/1082147676.db2.gz ZASIVRACVUGVIF-HGPCXVNDSA-N 0 0 323.392 3.347 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@H](c2ccccc2)C1 ZINC000588404651 1082148211 /nfs/dbraw/zinc/14/82/11/1082148211.db2.gz IEFPCAXRDKFKFM-GQSKFBFOSA-N 0 0 309.365 3.127 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCc1ccccc1Cl ZINC000588404736 1082149416 /nfs/dbraw/zinc/14/94/16/1082149416.db2.gz NSQDRVGVDVPNBN-VURMDHGXSA-N 0 0 317.772 3.123 20 10 DGCDRN CCn1ncc2ccc(NC(=O)/C=C\c3ccc(O)c(O)c3)cc21 ZINC000588405574 1082150706 /nfs/dbraw/zinc/15/07/06/1082150706.db2.gz MMTFEJFZETWJCR-YWEYNIOJSA-N 0 0 323.352 3.119 20 10 DGCDRN Cc1ccc(C[C@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)s1 ZINC000588407003 1082155059 /nfs/dbraw/zinc/15/50/59/1082155059.db2.gz HVKCYHHRFSTIFN-OFSNVTPPSA-N 0 0 317.410 3.228 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(OCCF)c1 ZINC000588407469 1082160576 /nfs/dbraw/zinc/16/05/76/1082160576.db2.gz TVRAZEUUIGQCLW-ALCCZGGFSA-N 0 0 317.316 3.098 20 10 DGCDRN COc1ccc(N(C)C(=O)/C(C)=C/c2cccnc2)cc1OC ZINC001125533376 1082236127 /nfs/dbraw/zinc/23/61/27/1082236127.db2.gz DNUXNYYPLUQHBJ-JLHYYAGUSA-N 0 0 312.369 3.165 20 10 DGCDRN Cc1ccc2c(ccnc2NCC(=O)c2ccc(O)c(O)c2)c1 ZINC001170316870 1082345416 /nfs/dbraw/zinc/34/54/16/1082345416.db2.gz SHBMEIXUHVTIBQ-UHFFFAOYSA-N 0 0 308.337 3.249 20 10 DGCDRN O=C(CNc1cccnc1-c1ccccc1)c1ccc(O)c(O)c1 ZINC001170321654 1082345496 /nfs/dbraw/zinc/34/54/96/1082345496.db2.gz BSUDEVUJWNQWMJ-UHFFFAOYSA-N 0 0 320.348 3.455 20 10 DGCDRN COCC(C)(C)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001129413897 1082470359 /nfs/dbraw/zinc/47/03/59/1082470359.db2.gz XIIDGEXERYXRPN-UHFFFAOYSA-N 0 0 314.429 3.497 20 10 DGCDRN CCC1(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)COC1 ZINC001143460855 1082915575 /nfs/dbraw/zinc/91/55/75/1082915575.db2.gz PMAAOYLXQBZHSF-UHFFFAOYSA-N 0 0 310.397 3.229 20 10 DGCDRN Oc1ccc(CNc2ncc3cc(Cl)ccc3n2)cc1O ZINC001158996140 1083198281 /nfs/dbraw/zinc/19/82/81/1083198281.db2.gz XILARNVOBWOFMP-UHFFFAOYSA-N 0 0 301.733 3.307 20 10 DGCDRN Cn1cnc(/C=C\C(=O)N2CCCc3cc(Cl)cc(F)c32)c1 ZINC001125879273 1083320277 /nfs/dbraw/zinc/32/02/77/1083320277.db2.gz MXVREEJXTHKANZ-PLNGDYQASA-N 0 0 319.767 3.205 20 10 DGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)[C@@H]2CCCC[C@@H]2O)cc1 ZINC001181085031 1083399975 /nfs/dbraw/zinc/39/99/75/1083399975.db2.gz GYVSLERVZOULIK-MOPGFXCFSA-N 0 0 324.424 3.353 20 10 DGCDRN CC(=O)C[C@H](C)C(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001181259380 1083437171 /nfs/dbraw/zinc/43/71/71/1083437171.db2.gz YJGWHJFNJKIUBI-YVEFUNNKSA-N 0 0 317.429 3.364 20 10 DGCDRN O=C([C@H]1CCc2ccccc21)N1CCCc2cc(O)c(O)cc2C1 ZINC001181760222 1083531668 /nfs/dbraw/zinc/53/16/68/1083531668.db2.gz MMSNZNPFLZSOBZ-KRWDZBQOSA-N 0 0 323.392 3.103 20 10 DGCDRN C[C@H](CCc1ccccc1)NC(=O)CCc1ccc(O)c(O)c1 ZINC001182157389 1083636769 /nfs/dbraw/zinc/63/67/69/1083636769.db2.gz OPPBZSOFGVHWTR-CQSZACIVSA-N 0 0 313.397 3.168 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@@H]1C(F)(F)F ZINC001182323792 1083687363 /nfs/dbraw/zinc/68/73/63/1083687363.db2.gz NYEXWMKTFLMVIJ-KBPBESRZSA-N 0 0 314.351 3.300 20 10 DGCDRN COc1ccc2c(c1)CC[C@H]2C(=O)N1CCc2cccc(O)c2C1 ZINC001182445983 1083720724 /nfs/dbraw/zinc/72/07/24/1083720724.db2.gz CXBUXHNLVBNEQI-QGZVFWFLSA-N 0 0 323.392 3.016 20 10 DGCDRN O=C(N1CCc2cccc(O)c2C1)[C@]12CC[C@H](O1)c1ccccc12 ZINC001182483788 1083739943 /nfs/dbraw/zinc/73/99/43/1083739943.db2.gz LUCKMWRAVSXHIS-AZUAARDMSA-N 0 0 321.376 3.038 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C ZINC001126082404 1083797194 /nfs/dbraw/zinc/79/71/94/1083797194.db2.gz MGRSNCPIAWBDOJ-GRZALLJUSA-N 0 0 300.446 3.359 20 10 DGCDRN COc1ccc(O)c(CNc2ccc3c(c2)COC(=O)N3)c1 ZINC001182892582 1083834090 /nfs/dbraw/zinc/83/40/90/1083834090.db2.gz WRHBOAILMIGDAQ-UHFFFAOYSA-N 0 0 300.314 3.075 20 10 DGCDRN CCn1nc(C)c(C[N@H+](C)Cc2cc(F)c(F)cc2[O-])c1C ZINC001183205309 1083903220 /nfs/dbraw/zinc/90/32/20/1083903220.db2.gz IJZJVKZRQYUEPK-UHFFFAOYSA-N 0 0 309.360 3.136 20 10 DGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)COC(F)(F)F)cc1 ZINC001183206000 1083904531 /nfs/dbraw/zinc/90/45/31/1083904531.db2.gz LHPHOVHPFWBDFZ-UHFFFAOYSA-N 0 0 324.302 3.338 20 10 DGCDRN O=C(NCc1cc2ccccc2s1)c1c(F)ccc(O)c1O ZINC001183570139 1083971415 /nfs/dbraw/zinc/97/14/15/1083971415.db2.gz CCLKQAJCCYNNFV-UHFFFAOYSA-N 0 0 317.341 3.382 20 10 DGCDRN O=C1CC[C@H](c2ccccc2NCc2cccc(F)c2O)N1 ZINC001183597961 1083983970 /nfs/dbraw/zinc/98/39/70/1083983970.db2.gz WCCVBMIQNOXXJD-OAHLLOKOSA-N 0 0 300.333 3.095 20 10 DGCDRN O=C1CC[C@@H](c2ccccc2NCc2cccc(F)c2O)N1 ZINC001183597957 1083984613 /nfs/dbraw/zinc/98/46/13/1083984613.db2.gz WCCVBMIQNOXXJD-HNNXBMFYSA-N 0 0 300.333 3.095 20 10 DGCDRN Cc1ncc(C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC001203582033 1084093847 /nfs/dbraw/zinc/09/38/47/1084093847.db2.gz NEOWWOYEPNNVSW-UHFFFAOYSA-N 0 0 312.200 3.429 20 10 DGCDRN Cc1cc(O)c(CN2CCn3nc(C4CC4)cc3C2)c(Cl)c1 ZINC001184106437 1084099323 /nfs/dbraw/zinc/09/93/23/1084099323.db2.gz PUTWLNILTGBZID-UHFFFAOYSA-N 0 0 317.820 3.444 20 10 DGCDRN CC[C@](C)(O)CC(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001184268354 1084140527 /nfs/dbraw/zinc/14/05/27/1084140527.db2.gz XYELXJLXTBPLEF-MJGOQNOKSA-N 0 0 319.445 3.300 20 10 DGCDRN [O-]c1c(F)ccc(F)c1CN1CC[NH+](CC2CCCCC2)CC1 ZINC001139685828 1084196963 /nfs/dbraw/zinc/19/69/63/1084196963.db2.gz YGIXFJSFDYJFDH-UHFFFAOYSA-N 0 0 324.415 3.368 20 10 DGCDRN COC(=O)c1cnc(SCc2scnc2Cl)s1 ZINC001307348363 1084244196 /nfs/dbraw/zinc/24/41/96/1084244196.db2.gz PGHUHPZEJCTGLY-UHFFFAOYSA-N 0 0 306.821 3.332 20 10 DGCDRN CCc1cccc(-c2noc([C@H](O)c3ccc(N(C)C)cc3)n2)c1 ZINC001211704081 1084283171 /nfs/dbraw/zinc/28/31/71/1084283171.db2.gz MQUZPEPURBSNMB-QGZVFWFLSA-N 0 0 323.396 3.447 20 10 DGCDRN Cc1cccc(-c2noc([C@H](O)c3ccc(N(C)C)cc3)n2)c1 ZINC001211703762 1084283426 /nfs/dbraw/zinc/28/34/26/1084283426.db2.gz GPCIBJYFLUTHRF-MRXNPFEDSA-N 0 0 309.369 3.193 20 10 DGCDRN Cc1noc(C)c1NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001185171721 1084365704 /nfs/dbraw/zinc/36/57/04/1084365704.db2.gz KQVBOPMCKGMFLT-UHFFFAOYSA-N 0 0 302.378 3.021 20 10 DGCDRN O=S(=O)(NCc1ccccc1O)c1cc2ccccc2s1 ZINC001185470183 1084450135 /nfs/dbraw/zinc/45/01/35/1084450135.db2.gz PLUKELKHWQNMMW-UHFFFAOYSA-N 0 0 319.407 3.085 20 10 DGCDRN COc1ccc(CN2CC(=O)c3cc(Cl)ccc3C2)c(O)c1 ZINC001203635341 1084613768 /nfs/dbraw/zinc/61/37/68/1084613768.db2.gz QBVKMZKQVYJNEF-UHFFFAOYSA-N 0 0 317.772 3.253 20 10 DGCDRN Oc1cc(O)c(CCNc2ccc(Br)cc2)cc1O ZINC001168010063 1086184404 /nfs/dbraw/zinc/18/44/04/1086184404.db2.gz QAXRTNZAUPKKHU-UHFFFAOYSA-N 0 0 324.174 3.221 20 10 DGCDRN CN(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001142514324 1087275137 /nfs/dbraw/zinc/27/51/37/1087275137.db2.gz LJTPNOUKAZHPNW-ZIAGYGMSSA-N 0 0 305.418 3.314 20 10 DGCDRN CC[C@]1(C)CCCN(c2nnc(C3SC=CC3=O)n2C)C1 ZINC001121273779 1087678951 /nfs/dbraw/zinc/67/89/51/1087678951.db2.gz KUGULHLWOPJRQX-OAHLLOKOSA-N 0 0 306.435 3.266 20 10 DGCDRN C[C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@@](C)(C(F)F)O1 ZINC000698930093 1087708439 /nfs/dbraw/zinc/70/84/39/1087708439.db2.gz YRDBZNBOBKENDQ-OTYXRUKQSA-N 0 0 305.752 3.290 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)CCC3CCC3)CC2)cc1 ZINC000176381191 1087718147 /nfs/dbraw/zinc/71/81/47/1087718147.db2.gz KCNDIGVNYHLYRN-UHFFFAOYSA-N 0 0 316.445 3.361 20 10 DGCDRN C[C@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccccc1O ZINC001151892564 1087816153 /nfs/dbraw/zinc/81/61/53/1087816153.db2.gz SMXWVZFSBBIABL-RYUDHWBXSA-N 0 0 303.333 3.176 20 10 DGCDRN C[C@H](N(C)C(=O)NCc1ccc2c(c1)CCCN2C)C1(C)CC1 ZINC000176466173 1087829015 /nfs/dbraw/zinc/82/90/15/1087829015.db2.gz UBEKYIAADVMQSN-AWEZNQCLSA-N 0 0 315.461 3.399 20 10 DGCDRN COc1ccc(Cl)cc1C(=O)N1Cc2cccc(O)c2C1 ZINC001152566238 1088004500 /nfs/dbraw/zinc/00/45/00/1088004500.db2.gz VEDVFRNTCJMGKT-UHFFFAOYSA-N 0 0 303.745 3.210 20 10 DGCDRN Oc1ccc(CNc2nccc(OCc3ccccc3)n2)cc1O ZINC001158995568 1088125796 /nfs/dbraw/zinc/12/57/96/1088125796.db2.gz KEUCWZCOJVWXNC-UHFFFAOYSA-N 0 0 323.352 3.079 20 10 DGCDRN Nc1ccc(Nc2cccn3c(Br)cnc23)cc1 ZINC001159171013 1088217963 /nfs/dbraw/zinc/21/79/63/1088217963.db2.gz UGUSHNLPBAHRFT-UHFFFAOYSA-N 0 0 303.163 3.423 20 10 DGCDRN O=C(NCc1cccc(O)c1O)C1(c2ccc(Cl)cc2)CC1 ZINC001153791748 1088362474 /nfs/dbraw/zinc/36/24/74/1088362474.db2.gz ILMUUDIHRUQGPS-UHFFFAOYSA-N 0 0 317.772 3.099 20 10 DGCDRN O=C(CCSc1ccccc1F)NCc1cccc(O)c1O ZINC001153791592 1088362497 /nfs/dbraw/zinc/36/24/97/1088362497.db2.gz DPMKNBYYJUQXGD-UHFFFAOYSA-N 0 0 321.373 3.036 20 10 DGCDRN Cc1ccc(F)c2oc(C(=O)NCc3cc(O)ccc3O)cc21 ZINC001153889390 1088395822 /nfs/dbraw/zinc/39/58/22/1088395822.db2.gz OHFYXBPVHJVXEU-UHFFFAOYSA-N 0 0 315.300 3.222 20 10 DGCDRN O=c1[nH]c2cc(Nc3ccc4c(c3)CCCN4)ccc2c(=O)[nH]1 ZINC001159754896 1088472653 /nfs/dbraw/zinc/47/26/53/1088472653.db2.gz GLMXNZMHJHVNNA-UHFFFAOYSA-N 0 0 308.341 3.143 20 10 DGCDRN C[C@H](NC(=O)C1=CC(=O)CS1)c1cc(F)ccc1N(C)C ZINC001160046073 1088616824 /nfs/dbraw/zinc/61/68/24/1088616824.db2.gz RKSTUKYMVUSPKB-VIFPVBQESA-N 0 0 308.378 3.150 20 10 DGCDRN CCOC(=O)c1cc(NCc2cc3ccccc3cc2O)ncn1 ZINC001160207489 1088696558 /nfs/dbraw/zinc/69/65/58/1088696558.db2.gz SKTMVWPOBHHPKL-UHFFFAOYSA-N 0 0 323.352 3.124 20 10 DGCDRN COCc1cc(NCc2cc3ccccc3cc2O)nc(C)n1 ZINC001160207416 1088697637 /nfs/dbraw/zinc/69/76/37/1088697637.db2.gz RDTRCWJJGLYPCK-UHFFFAOYSA-N 0 0 309.369 3.402 20 10 DGCDRN [O-][n+]1cc(Cl)ccc1NCc1cc2ccccc2cc1O ZINC001160206164 1088697794 /nfs/dbraw/zinc/69/77/94/1088697794.db2.gz FLYOGGNWWHFJPM-UHFFFAOYSA-N 0 0 300.745 3.444 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2noc(-c3cnon3)n2)cc1 ZINC001213021641 1088730529 /nfs/dbraw/zinc/73/05/29/1088730529.db2.gz SKGIDRGABJMRJI-UHFFFAOYSA-N 0 0 307.313 3.194 20 10 DGCDRN CCN(Cc1ccccc1O)C(F)(F)c1cc(Cl)ncn1 ZINC001154881243 1088807414 /nfs/dbraw/zinc/80/74/14/1088807414.db2.gz GGGHMGMRLULESC-UHFFFAOYSA-N 0 0 313.735 3.407 20 10 DGCDRN CCOC(=O)c1c(C)ccnc1N(CC)Cc1ccccc1O ZINC001154888684 1088811094 /nfs/dbraw/zinc/81/10/94/1088811094.db2.gz HOTHDOSRJAYMOT-UHFFFAOYSA-N 0 0 314.385 3.299 20 10 DGCDRN CCOC(=O)c1c(C)ccnc1NCc1cccc(C)c1O ZINC001160769530 1088950016 /nfs/dbraw/zinc/95/00/16/1088950016.db2.gz HRXMMZYELKDYRR-UHFFFAOYSA-N 0 0 300.358 3.193 20 10 DGCDRN Cc1cc(C)c(CNc2nc(Cl)cc(C)c2C(N)=O)c(O)c1 ZINC001160808053 1088971040 /nfs/dbraw/zinc/97/10/40/1088971040.db2.gz HKFDMGOZXSCBKO-UHFFFAOYSA-N 0 0 319.792 3.077 20 10 DGCDRN Cc1noc(-c2ccnc(NCc3c(C)cc(C)cc3O)c2)n1 ZINC001160811783 1088976986 /nfs/dbraw/zinc/97/69/86/1088976986.db2.gz XUNFPGUMFCYPBJ-UHFFFAOYSA-N 0 0 310.357 3.375 20 10 DGCDRN O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1c(F)ccc(O)c1O ZINC001161235372 1089163731 /nfs/dbraw/zinc/16/37/31/1089163731.db2.gz JHZTUNWWEBUYRC-CMPLNLGQSA-N 0 0 321.735 3.176 20 10 DGCDRN COc1cc(Cl)cnc1N1CCCc2cc(O)c(O)cc2C1 ZINC001155932703 1089302429 /nfs/dbraw/zinc/30/24/29/1089302429.db2.gz BZDYMZRCJIVKEZ-UHFFFAOYSA-N 0 0 320.776 3.108 20 10 DGCDRN Cc1cc(Cl)cc(N2CCCc3cc(O)c(O)cc3C2)n1 ZINC001155932628 1089303134 /nfs/dbraw/zinc/30/31/34/1089303134.db2.gz ABFTWAYUTCQSGO-UHFFFAOYSA-N 0 0 304.777 3.407 20 10 DGCDRN CC(C)(C)c1ccnc(N2CCCc3cc(O)c(O)cc3C2)n1 ZINC001155941789 1089306048 /nfs/dbraw/zinc/30/60/48/1089306048.db2.gz ZPBAOTFAUMWRCV-UHFFFAOYSA-N 0 0 313.401 3.138 20 10 DGCDRN COc1ccc(Cl)c(N2CCCc3cc(O)c(O)cc3C2)n1 ZINC001155941507 1089306583 /nfs/dbraw/zinc/30/65/83/1089306583.db2.gz QNHIOPAQTMIMEE-UHFFFAOYSA-N 0 0 320.776 3.108 20 10 DGCDRN COc1nc(N2CCCc3cc(O)c(O)cc3C2)ccc1Cl ZINC001155945566 1089308905 /nfs/dbraw/zinc/30/89/05/1089308905.db2.gz WLWJBDUHPIMLKY-UHFFFAOYSA-N 0 0 320.776 3.108 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1ccccc1-n1cccc1 ZINC001156178022 1089420649 /nfs/dbraw/zinc/42/06/49/1089420649.db2.gz SGVPUHMFHSCKAO-UHFFFAOYSA-N 0 0 310.328 3.252 20 10 DGCDRN C[C@@H](CCc1ccc(F)cc1)C(=O)NCc1c(O)cccc1O ZINC001156885743 1089732268 /nfs/dbraw/zinc/73/22/68/1089732268.db2.gz MYYJDQYCYFDTDN-LBPRGKRZSA-N 0 0 317.360 3.122 20 10 DGCDRN Cc1noc(-c2ccc(N(C)Cc3ccc(N(C)C)cc3)nc2)n1 ZINC001156921365 1089745718 /nfs/dbraw/zinc/74/57/18/1089745718.db2.gz YTTKYUQWLOXYQD-UHFFFAOYSA-N 0 0 323.400 3.142 20 10 DGCDRN C[C@@H]1CCc2nnc(N(C)Cc3ccc(N(C)C)cc3)cc2C1 ZINC001156928811 1089752265 /nfs/dbraw/zinc/75/22/65/1089752265.db2.gz WCIPGOPECHGAFM-CQSZACIVSA-N 0 0 310.445 3.304 20 10 DGCDRN O=C(CCc1ccccn1)NCc1c(O)ccc2ccccc21 ZINC001157041711 1089797385 /nfs/dbraw/zinc/79/73/85/1089797385.db2.gz MBWUDIQOUHBKRQ-UHFFFAOYSA-N 0 0 306.365 3.189 20 10 DGCDRN CC[N@H+](CCn1ccnc1)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236802347 1089938431 /nfs/dbraw/zinc/93/84/31/1089938431.db2.gz JBICKSTVHUKALB-UHFFFAOYSA-N 0 0 314.216 3.418 20 10 DGCDRN Nc1ccc(CNc2ncnc3c2ncn3-c2ccccc2)cc1 ZINC001162787821 1089957198 /nfs/dbraw/zinc/95/71/98/1089957198.db2.gz REDRLIJHEWOERU-UHFFFAOYSA-N 0 0 316.368 3.010 20 10 DGCDRN COC(=O)c1ccc2ccnc(NCc3ccc(N)cc3)c2c1 ZINC001162786474 1089957377 /nfs/dbraw/zinc/95/73/77/1089957377.db2.gz XNTAUXAFMSRWPM-UHFFFAOYSA-N 0 0 307.353 3.216 20 10 DGCDRN COc1ccc(-c2cc(NCc3ccc(N)cc3)ncn2)cc1 ZINC001162787678 1089957475 /nfs/dbraw/zinc/95/74/75/1089957475.db2.gz PQOZQPKANXVHKC-UHFFFAOYSA-N 0 0 306.369 3.347 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC(=O)[C@@H]2C)cc1 ZINC001157961030 1090157516 /nfs/dbraw/zinc/15/75/16/1090157516.db2.gz ABNUSKOBHYJZPT-HNNXBMFYSA-N 0 0 310.397 3.288 20 10 DGCDRN COC(=O)/C=C\c1ccc(N(C)C2CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001163459584 1090190638 /nfs/dbraw/zinc/19/06/38/1090190638.db2.gz IBAKSYBJMMCIIT-VURMDHGXSA-N 0 0 318.373 3.406 20 10 DGCDRN [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CCCC[C@](O)(CF)C1 ZINC001237078369 1090283463 /nfs/dbraw/zinc/28/34/63/1090283463.db2.gz QETHAXVSCKVHDA-AWEZNQCLSA-N 0 0 322.207 3.386 20 10 DGCDRN CC[N@H+](CCN1CCCCC1)Cc1cc(Cl)cc(F)c1[O-] ZINC001237621602 1090314338 /nfs/dbraw/zinc/31/43/38/1090314338.db2.gz CVJLTKKYZKRBEK-UHFFFAOYSA-N 0 0 314.832 3.493 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H]1CC1CCCC1 ZINC001164105365 1090343239 /nfs/dbraw/zinc/34/32/39/1090343239.db2.gz WNELFKCZMDEZAG-HNNXBMFYSA-N 0 0 303.402 3.212 20 10 DGCDRN Nc1cnc(NCc2cc(Cl)c3cccnc3c2O)c(F)c1 ZINC001168528253 1090357433 /nfs/dbraw/zinc/35/74/33/1090357433.db2.gz REVBXKYFHXVBRG-UHFFFAOYSA-N 0 0 318.739 3.322 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(NCCCc2c[nH][nH]c2=O)cc1 ZINC001164373687 1090416968 /nfs/dbraw/zinc/41/69/68/1090416968.db2.gz ALGMPNJHTILUGE-HNNXBMFYSA-N 0 0 310.401 3.018 20 10 DGCDRN COC(=O)/C=C(\C)CSc1ncc(-c2ccccc2)n1C ZINC001165276394 1090495220 /nfs/dbraw/zinc/49/52/20/1090495220.db2.gz YXBGHZAVBOIJEI-FMIVXFBMSA-N 0 0 302.399 3.299 20 10 DGCDRN CC(=O)c1ccc(C(=O)NCc2cc(Cl)ccc2O)c(F)c1 ZINC001165508710 1090527511 /nfs/dbraw/zinc/52/75/11/1090527511.db2.gz UWUPCXAFAFGKCB-UHFFFAOYSA-N 0 0 321.735 3.317 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2ncc(C)cc2N)C1 ZINC001166818810 1090662660 /nfs/dbraw/zinc/66/26/60/1090662660.db2.gz VUOLNEDEABZYML-UHFFFAOYSA-N 0 0 322.412 3.035 20 10 DGCDRN COc1ncc(N(c2ccc(N)cc2)c2ccc(N)cc2)cc1N ZINC001203508976 1090745189 /nfs/dbraw/zinc/74/51/89/1090745189.db2.gz RRRATNXAOIPRIY-UHFFFAOYSA-N 0 0 321.384 3.307 20 10 DGCDRN CCOC(=O)CC[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203580020 1090760698 /nfs/dbraw/zinc/76/06/98/1090760698.db2.gz JPFQERFMNVKGJT-UHFFFAOYSA-N 0 0 306.189 3.084 20 10 DGCDRN COc1cccc(CN2CCc3ccc(C(C)=O)cc3C2)c1O ZINC001203599862 1090765584 /nfs/dbraw/zinc/76/55/84/1090765584.db2.gz LHEGOFJNXXPTSA-UHFFFAOYSA-N 0 0 311.381 3.162 20 10 DGCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1-c1ccc(N)nc1F ZINC001203611890 1090766336 /nfs/dbraw/zinc/76/63/36/1090766336.db2.gz YGZOJDLXQLYSEG-NASUMDORSA-N 0 0 323.335 3.071 20 10 DGCDRN CCOc1cccc(CN2CC(OCc3ccccc3)C2)c1O ZINC001203609010 1090766450 /nfs/dbraw/zinc/76/64/50/1090766450.db2.gz FZGXUCBZEUIJEL-UHFFFAOYSA-N 0 0 313.397 3.192 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2cccc(O)c2)C1 ZINC001203862478 1090821032 /nfs/dbraw/zinc/82/10/32/1090821032.db2.gz KHKQEDYFYYUSPG-UHFFFAOYSA-N 0 0 322.408 3.451 20 10 DGCDRN Cc1ccc(N2CCN(Cc3ccc(O)c(O)c3)CC2)c(C)c1 ZINC001203878532 1090825128 /nfs/dbraw/zinc/82/51/28/1090825128.db2.gz BEPBUBHNRZSZMO-UHFFFAOYSA-N 0 0 312.413 3.037 20 10 DGCDRN Oc1ccc(CN2Cc3cnc(-c4ccccc4)nc3C2)cc1O ZINC001203881963 1090826606 /nfs/dbraw/zinc/82/66/06/1090826606.db2.gz YUWHAKOTODZSAG-UHFFFAOYSA-N 0 0 319.364 3.071 20 10 DGCDRN CN(C)c1ccc(CN2CCCC(=O)[C@@H](F)C2)c2ccccc21 ZINC001204232778 1090930380 /nfs/dbraw/zinc/93/03/80/1090930380.db2.gz JOSKSTCQQRKNER-KRWDZBQOSA-N 0 0 314.404 3.409 20 10 DGCDRN CN(Cc1nc2ccccc2s1)Cc1ccc(O)cc1O ZINC001204275861 1090937864 /nfs/dbraw/zinc/93/78/64/1090937864.db2.gz CYDYAEPDKQZUOT-UHFFFAOYSA-N 0 0 300.383 3.340 20 10 DGCDRN COc1cc(CN(C)Cc2ccccc2Cl)cc(O)c1O ZINC001204343170 1090951827 /nfs/dbraw/zinc/95/18/27/1090951827.db2.gz PTRWKYIBUBITJW-UHFFFAOYSA-N 0 0 307.777 3.392 20 10 DGCDRN CCN(c1ccccc1)c1cc(-c2cnc(N(C)C)nc2)ncn1 ZINC001204990675 1091078190 /nfs/dbraw/zinc/07/81/90/1091078190.db2.gz FJMPOWWJUHWRHL-UHFFFAOYSA-N 0 0 320.400 3.158 20 10 DGCDRN Oc1cccc(Nc2cnc(Cl)n2[C@H]2CCCCO2)c1O ZINC001205048155 1091090445 /nfs/dbraw/zinc/09/04/45/1091090445.db2.gz JCFGPNPOUDMPNP-GFCCVEGCSA-N 0 0 309.753 3.390 20 10 DGCDRN OC[C@@H]1CCC(F)(F)CN1Cc1ccc(N2CCCCC2)cc1 ZINC001138215621 1091118901 /nfs/dbraw/zinc/11/89/01/1091118901.db2.gz MAMPMCDKKUUILR-KRWDZBQOSA-N 0 0 324.415 3.269 20 10 DGCDRN OCCN(Cc1ccc(N2CCCCC2)cc1)CC(F)(F)F ZINC001138220442 1091120441 /nfs/dbraw/zinc/12/04/41/1091120441.db2.gz DGWKUGYESCVTBC-UHFFFAOYSA-N 0 0 316.367 3.034 20 10 DGCDRN Cc1c(CN(C)CC(=O)OC(C)(C)C)c2ccccc2n1C ZINC001138254168 1091126160 /nfs/dbraw/zinc/12/61/60/1091126160.db2.gz RUEVJUIGNYSHHM-UHFFFAOYSA-N 0 0 302.418 3.260 20 10 DGCDRN Cc1c(CN2CC(Oc3cccnc3)C2)c2ccccc2n1C ZINC001138256874 1091126711 /nfs/dbraw/zinc/12/67/11/1091126711.db2.gz NVGXUQUWXNQPCS-UHFFFAOYSA-N 0 0 307.397 3.145 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2nc(C3CC3)cs2)cc1F ZINC001292283432 1091142529 /nfs/dbraw/zinc/14/25/29/1091142529.db2.gz VOZYZJXNSKGCJP-UHFFFAOYSA-N 0 0 319.405 3.156 20 10 DGCDRN CN1CCCc2cc(CN3CC(OCc4ccccc4)C3)ccc21 ZINC001138356177 1091149855 /nfs/dbraw/zinc/14/98/55/1091149855.db2.gz BNARRNHQQFYKIO-UHFFFAOYSA-N 0 0 322.452 3.470 20 10 DGCDRN CC[C@H]1COCCN1Cc1ccc(N(CC)CC)cc1OC ZINC001138388902 1091163086 /nfs/dbraw/zinc/16/30/86/1091163086.db2.gz AGPVMZLNWNCSGJ-INIZCTEOSA-N 0 0 306.450 3.152 20 10 DGCDRN CCC[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)c(O)c1 ZINC001292782069 1091179138 /nfs/dbraw/zinc/17/91/38/1091179138.db2.gz SCZNEBABQZKZNX-MRXNPFEDSA-N 0 0 313.397 3.168 20 10 DGCDRN COC(=O)c1cnc([C@H](C)N(C)c2ccc(OC)c(F)c2)s1 ZINC001205359800 1091199553 /nfs/dbraw/zinc/19/95/53/1091199553.db2.gz HBBVPWHEFBQFPC-VIFPVBQESA-N 0 0 324.377 3.275 20 10 DGCDRN CC(C)(C)c1n[nH]cc1CN1CCCc2cc(O)c(O)cc2C1 ZINC001138580974 1091239712 /nfs/dbraw/zinc/23/97/12/1091239712.db2.gz OVFRBSQZLIFOLL-UHFFFAOYSA-N 0 0 315.417 3.067 20 10 DGCDRN Nc1ccc(N(Cc2ccccc2)c2cnn(C3COC3)c2)cc1 ZINC001205577764 1091262681 /nfs/dbraw/zinc/26/26/81/1091262681.db2.gz UWIRUTLOLQMUQZ-UHFFFAOYSA-N 0 0 320.396 3.375 20 10 DGCDRN Nc1ccc(Cc2ccc(Nc3cnn(C4COC4)c3)cc2)cc1 ZINC001205577474 1091262850 /nfs/dbraw/zinc/26/28/50/1091262850.db2.gz HJFQDQLBYORLFP-UHFFFAOYSA-N 0 0 320.396 3.371 20 10 DGCDRN COC1(c2ccccc2)CN(Cc2ccc(N(C)C)cc2C)C1 ZINC001205706599 1091318425 /nfs/dbraw/zinc/31/84/25/1091318425.db2.gz OWEXZFBIFDJSBI-UHFFFAOYSA-N 0 0 310.441 3.419 20 10 DGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@H]2CCC[C@H](F)C2)c1[O-] ZINC001118202006 1091355634 /nfs/dbraw/zinc/35/56/34/1091355634.db2.gz NFFPSHDVMHLUOF-QWRGUYRKSA-N 0 0 302.733 3.324 20 10 DGCDRN COc1ccc2c(c1)CN(Cc1cc(F)c(F)cc1O)CCO2 ZINC001205861662 1091383762 /nfs/dbraw/zinc/38/37/62/1091383762.db2.gz ZMYXAFCCOALABI-UHFFFAOYSA-N 0 0 321.323 3.074 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(CN(C)C)o1 ZINC001294681696 1091428507 /nfs/dbraw/zinc/42/85/07/1091428507.db2.gz UPPHQHPMOOZBNN-UHFFFAOYSA-N 0 0 316.401 3.099 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CC[C@](C)(F)[C@H](F)C1 ZINC001139126575 1091457120 /nfs/dbraw/zinc/45/71/20/1091457120.db2.gz LGUQNNQHFJTSOQ-PBHICJAKSA-N 0 0 323.339 3.079 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC001139126594 1091457185 /nfs/dbraw/zinc/45/71/85/1091457185.db2.gz LRAPVGWJGGOVBT-ZIAGYGMSSA-N 0 0 313.397 3.429 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+](C)C1CC(F)(F)C1 ZINC001139126559 1091457498 /nfs/dbraw/zinc/45/74/98/1091457498.db2.gz KKWVSLQKLGGTCL-UHFFFAOYSA-N 0 0 309.312 3.037 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCC[C@H](C)[C@@H]1C ZINC001139129128 1091459112 /nfs/dbraw/zinc/45/91/12/1091459112.db2.gz NTMWDGTZGQYQKB-AAEUAGOBSA-N 0 0 301.386 3.427 20 10 DGCDRN Cc1cccc2c1OC[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])C2 ZINC001206121633 1091501373 /nfs/dbraw/zinc/50/13/73/1091501373.db2.gz LLVZZKLLGHVONV-CYBMUJFWSA-N 0 0 305.324 3.072 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCCCc2sccc21 ZINC001139384689 1091540546 /nfs/dbraw/zinc/54/05/46/1091540546.db2.gz YJDWKGXZDUNMLH-UHFFFAOYSA-N 0 0 303.383 3.071 20 10 DGCDRN Cc1cc(CN2CCO[C@H](c3ccncc3)C2)ccc1N(C)C ZINC001139673421 1091639552 /nfs/dbraw/zinc/63/95/52/1091639552.db2.gz GPEIEGZJHRVILQ-IBGZPJMESA-N 0 0 311.429 3.030 20 10 DGCDRN Cc1cc(CN2CCO[C@@H](c3ccccn3)C2)ccc1N(C)C ZINC001139673010 1091639850 /nfs/dbraw/zinc/63/98/50/1091639850.db2.gz NWOVTPDEYNEVDT-LJQANCHMSA-N 0 0 311.429 3.030 20 10 DGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001139684446 1091641407 /nfs/dbraw/zinc/64/14/07/1091641407.db2.gz UYVRIOQXLMZUHP-CYBMUJFWSA-N 0 0 304.340 3.273 20 10 DGCDRN COc1cc(C[N@H+](C)Cc2c(F)ccc(F)c2[O-])cc(OC)c1 ZINC001139685412 1091641901 /nfs/dbraw/zinc/64/19/01/1091641901.db2.gz YCGGIVHUTGGAQR-UHFFFAOYSA-N 0 0 323.339 3.320 20 10 DGCDRN O=C(NCC1CCC1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001206559002 1091668920 /nfs/dbraw/zinc/66/89/20/1091668920.db2.gz WWBMBLLKFNVCBG-UHFFFAOYSA-N 0 0 321.384 3.318 20 10 DGCDRN COc1cc(NCc2cc(Cl)c(F)cc2O)cnc1OC ZINC001206694629 1091703734 /nfs/dbraw/zinc/70/37/34/1091703734.db2.gz HMIDKCFPCORBFP-UHFFFAOYSA-N 0 0 312.728 3.209 20 10 DGCDRN Cc1cc(O)c(CN2CCOc3ccc(O)cc3C2)c(Cl)c1 ZINC001206763433 1091730579 /nfs/dbraw/zinc/73/05/79/1091730579.db2.gz ZVGVNRHCHIWUKZ-UHFFFAOYSA-N 0 0 319.788 3.454 20 10 DGCDRN C[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCC[C@@]1(O)C(F)(F)F ZINC001140057864 1091751657 /nfs/dbraw/zinc/75/16/57/1091751657.db2.gz QMYMYQPAPHICBX-HZMBPMFUSA-N 0 0 321.314 3.057 20 10 DGCDRN CN(Cc1cccnc1)Cc1c(O)cccc1Br ZINC001140098635 1091767715 /nfs/dbraw/zinc/76/77/15/1091767715.db2.gz IVOWDXDLBRJLHP-UHFFFAOYSA-N 0 0 307.191 3.182 20 10 DGCDRN Oc1cccc(Br)c1CN1CCc2cccnc2C1 ZINC001140103535 1091769350 /nfs/dbraw/zinc/76/93/50/1091769350.db2.gz NXGRSUDVSQSGKI-UHFFFAOYSA-N 0 0 319.202 3.108 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCCCN2)c1 ZINC001140203785 1091799188 /nfs/dbraw/zinc/79/91/88/1091799188.db2.gz OMFPVACRPJNVCE-UHFFFAOYSA-N 0 0 317.820 3.488 20 10 DGCDRN CCN(Cc1ncc2ccccn21)Cc1ccc(N(C)C)cc1 ZINC001207055057 1091831211 /nfs/dbraw/zinc/83/12/11/1091831211.db2.gz UPRVCCQMYOSQBJ-UHFFFAOYSA-N 0 0 308.429 3.422 20 10 DGCDRN CCOCc1noc2c1CN(Cc1c(O)cccc1Cl)CC2 ZINC001140345137 1091835163 /nfs/dbraw/zinc/83/51/63/1091835163.db2.gz PDLAZHAJQNDKSC-UHFFFAOYSA-N 0 0 322.792 3.128 20 10 DGCDRN Cc1ccccc1[C@H]1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)C1 ZINC001297188894 1091842380 /nfs/dbraw/zinc/84/23/80/1091842380.db2.gz OHDJPDPLNSVIBH-SHTZXODSSA-N 0 0 311.381 3.011 20 10 DGCDRN OC[C@@H]1CC[C@H](C(F)(F)F)N(Cc2ccc(Cl)cc2O)C1 ZINC001140461655 1091874902 /nfs/dbraw/zinc/87/49/02/1091874902.db2.gz PHEAKGNSVGSOHX-NOZJJQNGSA-N 0 0 323.742 3.181 20 10 DGCDRN O=C1CSc2cc(NCc3cccc(F)c3O)ccc2N1 ZINC001207225552 1091893223 /nfs/dbraw/zinc/89/32/23/1091893223.db2.gz MIHXQSKAHPPRFJ-UHFFFAOYSA-N 0 0 304.346 3.188 20 10 DGCDRN Oc1cccc2c1C[N@H+](Cc1ccc(OC(F)F)c(O)c1)CC2 ZINC001140630579 1091937961 /nfs/dbraw/zinc/93/79/61/1091937961.db2.gz XXUVTYRGQAEBJS-UHFFFAOYSA-N 0 0 321.323 3.258 20 10 DGCDRN CCN(CC)c1ccc(C[NH+]2CC3(C2)CC(F)(F)C3)c(O)c1 ZINC001140850520 1092028576 /nfs/dbraw/zinc/02/85/76/1092028576.db2.gz NTKCVRDPXNAAOQ-UHFFFAOYSA-N 0 0 310.388 3.470 20 10 DGCDRN [O-]c1cccc(F)c1C[NH2+]Cc1conc1Cc1ccccc1 ZINC001207622174 1092046190 /nfs/dbraw/zinc/04/61/90/1092046190.db2.gz LKDYTQDQJBJSJM-UHFFFAOYSA-N 0 0 312.344 3.400 20 10 DGCDRN COc1cc(NC(=O)C2=CC(=O)CS2)cc2cccnc21 ZINC001298609178 1092078864 /nfs/dbraw/zinc/07/88/64/1092078864.db2.gz MUZPXMUOQOWDBI-UHFFFAOYSA-N 0 0 300.339 3.263 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1cc(F)c(O)c(F)c1)CCC2 ZINC001140990647 1092095799 /nfs/dbraw/zinc/09/57/99/1092095799.db2.gz LNCBYLNZQDMAIP-UHFFFAOYSA-N 0 0 321.323 3.030 20 10 DGCDRN CC[N@H+](Cc1cccs1)Cc1c(O)cc(OC)cc1OC ZINC001141030843 1092112775 /nfs/dbraw/zinc/11/27/75/1092112775.db2.gz NJNWFJWRMXWORP-UHFFFAOYSA-N 0 0 307.415 3.493 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(C[C@@H]2CCCCO2)C1 ZINC001207957274 1092158253 /nfs/dbraw/zinc/15/82/53/1092158253.db2.gz UMMZVMPFUIKJQG-HNNXBMFYSA-N 0 0 314.429 3.114 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H](C)C(F)F)c1 ZINC001141979595 1092377220 /nfs/dbraw/zinc/37/72/20/1092377220.db2.gz UYFAXSDWDBCEQA-NSHDSACASA-N 0 0 320.339 3.290 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)Cc1ccc(Cl)nn1 ZINC001142070870 1092401802 /nfs/dbraw/zinc/40/18/02/1092401802.db2.gz IKMNVUKIJSRAJN-UHFFFAOYSA-N 0 0 316.836 3.362 20 10 DGCDRN CN(Cc1cnc(Cl)s1)Cc1cc(F)c(F)cc1O ZINC001142508478 1092491534 /nfs/dbraw/zinc/49/15/34/1092491534.db2.gz ADKUMCIEHXQLQR-UHFFFAOYSA-N 0 0 304.749 3.412 20 10 DGCDRN COc1ccc2c(c1)CN(Cc1cc(F)c(F)cc1O)CC2 ZINC001142508834 1092492032 /nfs/dbraw/zinc/49/20/32/1092492032.db2.gz NFWUXZTYYDMEHP-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH+]1CCC(Oc2ccccn2)CC1 ZINC001142521126 1092495066 /nfs/dbraw/zinc/49/50/66/1092495066.db2.gz YKBUKGUSIDOOMK-UHFFFAOYSA-N 0 0 320.339 3.109 20 10 DGCDRN O=C(/C=C\C=C(Cl)Cl)NCc1ccc2cccnc2c1O ZINC001142730732 1092539812 /nfs/dbraw/zinc/53/98/12/1092539812.db2.gz DORKBEZUCKGZRP-KTAJNNJTSA-N 0 0 323.179 3.432 20 10 DGCDRN Nc1ccc(NC(=O)Nc2ccc(NC(=O)C(F)F)cc2)cc1 ZINC001142789288 1092552367 /nfs/dbraw/zinc/55/23/67/1092552367.db2.gz NYMNPRWFHSIYDY-UHFFFAOYSA-N 0 0 320.299 3.116 20 10 DGCDRN COc1c(Cl)ccc(N(CCO)c2ccc(N)cc2)c1F ZINC001212585169 1092554164 /nfs/dbraw/zinc/55/41/64/1092554164.db2.gz UADGVXFLUGEUBJ-UHFFFAOYSA-N 0 0 310.756 3.200 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(C[C@H]2CCC=CO2)C1 ZINC001208880881 1092560631 /nfs/dbraw/zinc/56/06/31/1092560631.db2.gz QPJHXORAWKBXOI-OAHLLOKOSA-N 0 0 312.413 3.238 20 10 DGCDRN CC(C)(C)c1cccc(CN2CC(F)(F)CC[C@@H]2CO)c1O ZINC001143104462 1092615392 /nfs/dbraw/zinc/61/53/92/1092615392.db2.gz SULLGIPPAIJLGK-CYBMUJFWSA-N 0 0 313.388 3.282 20 10 DGCDRN CC(C)(C)c1cccc(CN2CCO[C@H](C(F)(F)F)C2)c1O ZINC001143112487 1092616490 /nfs/dbraw/zinc/61/64/90/1092616490.db2.gz SUTROUXROMEHBM-ZDUSSCGKSA-N 0 0 317.351 3.453 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ncc(C(F)(F)F)s1 ZINC001149871561 1092738836 /nfs/dbraw/zinc/73/88/36/1092738836.db2.gz IAGGNOVBQNWJGL-UHFFFAOYSA-N 0 0 316.304 3.140 20 10 DGCDRN CCCOc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1F ZINC001150171020 1092760360 /nfs/dbraw/zinc/76/03/60/1092760360.db2.gz WUCGDSMCUUPVHV-UHFFFAOYSA-N 0 0 319.332 3.207 20 10 DGCDRN Cc1onc(-c2cccs2)c1C(=O)NCc1ccccc1O ZINC001150536155 1092790405 /nfs/dbraw/zinc/79/04/05/1092790405.db2.gz KNVNWXOQVQBFHJ-UHFFFAOYSA-N 0 0 314.366 3.347 20 10 DGCDRN COc1cccc(CNC(=O)[C@H]2Cc3ccc(Cl)cc32)c1O ZINC001150543101 1092792434 /nfs/dbraw/zinc/79/24/34/1092792434.db2.gz IKVYTSKKRSWROR-AWEZNQCLSA-N 0 0 317.772 3.010 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(CN2CCc3ncncc3C2)cc1 ZINC001209516613 1092805443 /nfs/dbraw/zinc/80/54/43/1092805443.db2.gz CAKBAYAVDCAKEZ-UHFFFAOYSA-N 0 0 318.424 3.442 20 10 DGCDRN COC(=O)c1c(F)cccc1Nc1ccc2c(c1)OCCN2 ZINC001209767082 1092911260 /nfs/dbraw/zinc/91/12/60/1092911260.db2.gz JGMLSELQSWTZIS-UHFFFAOYSA-N 0 0 302.305 3.160 20 10 DGCDRN c1cn(Cc2ccc(Nc3ccc4c(c3)OCCN4)cc2)cn1 ZINC001209766759 1092911694 /nfs/dbraw/zinc/91/16/94/1092911694.db2.gz VSQTZRJKGMWXCB-UHFFFAOYSA-N 0 0 306.369 3.479 20 10 DGCDRN COC(=O)c1c(F)ccc(Nc2ccc3c(c2)OCCN3)c1F ZINC001209767008 1092912183 /nfs/dbraw/zinc/91/21/83/1092912183.db2.gz HCOYADORBUEWTB-UHFFFAOYSA-N 0 0 320.295 3.299 20 10 DGCDRN CC(=O)N1CCc2c1cccc2Nc1ccc2c(c1)OCCN2 ZINC001209790286 1092923843 /nfs/dbraw/zinc/92/38/43/1092923843.db2.gz YOCNWUJRBURMHK-UHFFFAOYSA-N 0 0 309.369 3.144 20 10 DGCDRN O=C1c2c(cccc2Nc2ccc3c(c2)OCCN3)CN1C1CC1 ZINC001209789854 1092924372 /nfs/dbraw/zinc/92/43/72/1092924372.db2.gz SCQJFBXRUDZQOF-UHFFFAOYSA-N 0 0 321.380 3.353 20 10 DGCDRN CC1(C)Cc2cc(Nc3ccc4c(c3)OCCN4)ccc2C(=O)N1 ZINC001209792620 1092926147 /nfs/dbraw/zinc/92/61/47/1092926147.db2.gz RZLHYKCUHGSPSC-UHFFFAOYSA-N 0 0 323.396 3.299 20 10 DGCDRN CC(C)Oc1ccc(N(CCO)c2ccc(N)cc2)cc1F ZINC001209996308 1093009234 /nfs/dbraw/zinc/00/92/34/1093009234.db2.gz FUHAAUVPCKAYTL-UHFFFAOYSA-N 0 0 304.365 3.326 20 10 DGCDRN [O-]c1c(Cl)cc(F)cc1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001210265896 1093101648 /nfs/dbraw/zinc/10/16/48/1093101648.db2.gz BPDFSXCJELWRKU-MRXNPFEDSA-N 0 0 320.795 3.331 20 10 DGCDRN Cn1ccc(Nc2ccc(OCCOc3ccc(N)cc3)cc2)n1 ZINC001210354173 1093134841 /nfs/dbraw/zinc/13/48/41/1093134841.db2.gz ZOAUFDDCLLLMTA-UHFFFAOYSA-N 0 0 324.384 3.204 20 10 DGCDRN Nc1ccc(Cc2ccc(Nc3cncc(CO)c3)cc2)cc1 ZINC001211106649 1093381444 /nfs/dbraw/zinc/38/14/44/1093381444.db2.gz OOULMLHRRHIDIO-UHFFFAOYSA-N 0 0 305.381 3.491 20 10 DGCDRN COCOc1cccc(Cl)c1N(CCO)c1ccc(N)cc1 ZINC001214309914 1093754637 /nfs/dbraw/zinc/75/46/37/1093754637.db2.gz WHOVULQBSIPETD-UHFFFAOYSA-N 0 0 322.792 3.035 20 10 DGCDRN CC(=O)c1ccc(-c2noc(-c3cccc(O)c3O)n2)c(F)c1 ZINC001215145886 1093927205 /nfs/dbraw/zinc/92/72/05/1093927205.db2.gz PGJOFVBYMKMHGB-UHFFFAOYSA-N 0 0 314.272 3.157 20 10 DGCDRN Cn1ccc2ccc(-c3noc(-c4ccc(O)c(O)c4)n3)cc21 ZINC001215304415 1093955869 /nfs/dbraw/zinc/95/58/69/1093955869.db2.gz NACQHQHGRXDQEV-UHFFFAOYSA-N 0 0 307.309 3.307 20 10 DGCDRN Oc1ccc(-c2nc(-c3ccc(Cl)cc3F)no2)c(O)c1O ZINC001215325539 1093960980 /nfs/dbraw/zinc/96/09/80/1093960980.db2.gz YHVUJMGQMHRYCW-UHFFFAOYSA-N 0 0 322.679 3.313 20 10 DGCDRN Oc1cc(-c2nc(-c3ccc(Cl)c(F)c3)no2)cc(O)c1O ZINC001215327865 1093961718 /nfs/dbraw/zinc/96/17/18/1093961718.db2.gz XLCCHSSVCDQPGD-UHFFFAOYSA-N 0 0 322.679 3.313 20 10 DGCDRN COCc1cc(C)c(N(CCO)c2ccc(N)cc2)c(C)c1 ZINC001215530865 1093996382 /nfs/dbraw/zinc/99/63/82/1093996382.db2.gz VYEGZMGXUMBKJV-UHFFFAOYSA-N 0 0 300.402 3.162 20 10 DGCDRN Cc1ccc(S(=O)(=O)Nc2ccc(O)c(C(C)C)c2)cc1N ZINC001215845505 1094072734 /nfs/dbraw/zinc/07/27/34/1094072734.db2.gz CKAAGAXHJSHOEB-UHFFFAOYSA-N 0 0 320.414 3.207 20 10 DGCDRN Cc1cc(CNC(=O)Nc2ccncc2)c(C)n1-c1ccccc1 ZINC001216352714 1094180840 /nfs/dbraw/zinc/18/08/40/1094180840.db2.gz UZUYSQDEAKRFMA-UHFFFAOYSA-N 0 0 320.396 3.233 20 10 DGCDRN O=C(Nc1cc(C(F)(F)F)ccn1)N1Cc2cccc(O)c2C1 ZINC001216614661 1094233175 /nfs/dbraw/zinc/23/31/75/1094233175.db2.gz CVFDUMZDXVSSIE-UHFFFAOYSA-N 0 0 323.274 3.354 20 10 DGCDRN COc1ccc(-c2noc(-c3ccc(O)c(O)c3Cl)n2)cc1 ZINC001216952341 1094283533 /nfs/dbraw/zinc/28/35/33/1094283533.db2.gz WHHMZTAUJCGDCW-UHFFFAOYSA-N 0 0 318.716 3.477 20 10 DGCDRN Oc1ccc(-c2nc(-c3cc(F)ccn3)no2)c(Cl)c1O ZINC001216953676 1094283548 /nfs/dbraw/zinc/28/35/48/1094283548.db2.gz GYMRJZJUHBTNCA-UHFFFAOYSA-N 0 0 307.668 3.002 20 10 DGCDRN COCc1ccc(NC(=O)N[C@H](C)c2ccccc2O)cc1 ZINC001217129101 1094311420 /nfs/dbraw/zinc/31/14/20/1094311420.db2.gz IMUINIVQBPZOFN-GFCCVEGCSA-N 0 0 300.358 3.421 20 10 DGCDRN COCc1cccc(NCc2ccc(OC)c(OC)c2O)c1 ZINC001120021401 1094351747 /nfs/dbraw/zinc/35/17/47/1094351747.db2.gz XMZQVNOJXNCEFY-UHFFFAOYSA-N 0 0 303.358 3.168 20 10 DGCDRN [O-]c1c(C[NH2+][C@H]2CCCOCC2)cc(Cl)c2cccnc12 ZINC001170789541 1094387785 /nfs/dbraw/zinc/38/77/85/1094387785.db2.gz GOCSMPUJNGIOCH-LBPRGKRZSA-N 0 0 306.793 3.253 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)Nc1cc2ccccn2n1 ZINC001217671804 1094469653 /nfs/dbraw/zinc/46/96/53/1094469653.db2.gz XPWAPURQIXYKLJ-UHFFFAOYSA-N 0 0 316.748 3.015 20 10 DGCDRN Nc1ccc(CNC(=O)N(Cc2cccc(F)c2)C2CC2)cc1 ZINC001120682542 1094490307 /nfs/dbraw/zinc/49/03/07/1094490307.db2.gz ZVPXFDNTXRXUMT-UHFFFAOYSA-N 0 0 313.376 3.282 20 10 DGCDRN Cc1cc(CC(=O)NCc2ccccn2)c(C)n1-c1ccccc1 ZINC001135403370 1094532459 /nfs/dbraw/zinc/53/24/59/1094532459.db2.gz PKOGHZWSXRMXPC-UHFFFAOYSA-N 0 0 319.408 3.348 20 10 DGCDRN Cc1nnc2c(NCc3ccc(N4CCCCC4)cc3)nccn12 ZINC001336374070 1094636083 /nfs/dbraw/zinc/63/60/83/1094636083.db2.gz YARLWMUZIODDIG-UHFFFAOYSA-N 0 0 322.416 3.035 20 10 DGCDRN CCC/C=C/[C@H](O)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC001135732846 1094655409 /nfs/dbraw/zinc/65/54/09/1094655409.db2.gz ISSLNFRYGXYAPS-BBVFFXRHSA-N 0 0 318.461 3.208 20 10 DGCDRN Nc1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2F)cc1 ZINC001336926065 1094784823 /nfs/dbraw/zinc/78/48/23/1094784823.db2.gz OWQMJBBKUAAUDK-DLBZAZTESA-N 0 0 313.376 3.094 20 10 DGCDRN Nc1ccc(CNC(=O)NCCC2CCC(F)(F)CC2)cc1 ZINC001336988693 1094805141 /nfs/dbraw/zinc/80/51/41/1094805141.db2.gz ATHBSLHEBNZAAQ-UHFFFAOYSA-N 0 0 311.376 3.284 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C(C)(C)C(F)(F)F)cc1F ZINC001337004021 1094812788 /nfs/dbraw/zinc/81/27/88/1094812788.db2.gz RVQURUUNXPRVOS-UHFFFAOYSA-N 0 0 306.303 3.096 20 10 DGCDRN CCC1(CC)[C@H](N(C)C(=O)NCc2ccc(N)cc2)C[C@@H]1OC ZINC001337018324 1094819402 /nfs/dbraw/zinc/81/94/02/1094819402.db2.gz KDDCLLPEEIOFLQ-CVEARBPZSA-N 0 0 319.449 3.004 20 10 DGCDRN CC[C@@H](Cc1ccc(F)cc1)NC(=O)NCc1ccc(N)cc1 ZINC001337070573 1094842199 /nfs/dbraw/zinc/84/21/99/1094842199.db2.gz SFJNGGMAJJXBBX-KRWDZBQOSA-N 0 0 315.392 3.228 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)Nc1cccc2c1OCC2 ZINC001219483627 1094981746 /nfs/dbraw/zinc/98/17/46/1094981746.db2.gz TVLZVSXRKDGKBV-UHFFFAOYSA-N 0 0 318.760 3.302 20 10 DGCDRN CC(C)COc1ccccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001136320505 1094987262 /nfs/dbraw/zinc/98/72/62/1094987262.db2.gz RHSGUMTVUYAAHQ-UHFFFAOYSA-N 0 0 315.369 3.314 20 10 DGCDRN Nc1ccc(CNC(=O)C2(c3cccnc3)CC3(CCC3)C2)cc1 ZINC001122536223 1095002777 /nfs/dbraw/zinc/00/27/77/1095002777.db2.gz VPXYDNNKWHKONI-UHFFFAOYSA-N 0 0 321.424 3.182 20 10 DGCDRN CN(C)c1ccc(NC(=O)N2Cc3cccc(O)c3C2)cc1F ZINC001219887415 1095031146 /nfs/dbraw/zinc/03/11/46/1095031146.db2.gz HZGYIYKHONZGRE-UHFFFAOYSA-N 0 0 315.348 3.145 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000315327814 1095100193 /nfs/dbraw/zinc/10/01/93/1095100193.db2.gz UJQGBEGGDKCJHM-UHFFFAOYSA-N 0 0 320.732 3.226 20 10 DGCDRN CC[C@@H](c1ccccc1)N(CC(=O)OC)Cc1ccc(N)cc1 ZINC001337838560 1095112096 /nfs/dbraw/zinc/11/20/96/1095112096.db2.gz PEUDSJMSHULDTJ-SFHVURJKSA-N 0 0 312.413 3.395 20 10 DGCDRN CC[C@H](c1ccccc1)N(CC(=O)OC)Cc1ccc(N)cc1 ZINC001337838559 1095112157 /nfs/dbraw/zinc/11/21/57/1095112157.db2.gz PEUDSJMSHULDTJ-GOSISDBHSA-N 0 0 312.413 3.395 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC[C@@H]2OC)cc1F ZINC001136730694 1095139904 /nfs/dbraw/zinc/13/99/04/1095139904.db2.gz YPPDVCQUJUBJOV-PBHICJAKSA-N 0 0 322.424 3.103 20 10 DGCDRN Cc1cc(C)c(CNC(=O)[C@@H]2CCc3ccccc3N2)c(O)c1 ZINC001220825314 1095160603 /nfs/dbraw/zinc/16/06/03/1095160603.db2.gz BXHWGAGJQFGYPL-KRWDZBQOSA-N 0 0 310.397 3.052 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cc2cc(N)ccc2s1 ZINC000316217656 1095164484 /nfs/dbraw/zinc/16/44/84/1095164484.db2.gz ZSOFROGIGROCIG-UHFFFAOYSA-N 0 0 312.394 3.461 20 10 DGCDRN O=C(Nc1ccccc1CC(F)(F)F)c1cccc(O)c1O ZINC001136833089 1095191799 /nfs/dbraw/zinc/19/17/99/1095191799.db2.gz CFXRSMPLLZPHQN-UHFFFAOYSA-N 0 0 311.259 3.455 20 10 DGCDRN Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1OC(F)F ZINC001136887120 1095224181 /nfs/dbraw/zinc/22/41/81/1095224181.db2.gz KITOGTZTKBUVCZ-UHFFFAOYSA-N 0 0 323.295 3.189 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)CCc2cccc(O)c2)cc1 ZINC001123484216 1095316590 /nfs/dbraw/zinc/31/65/90/1095316590.db2.gz OFKUVYQFJDZQBS-UHFFFAOYSA-N 0 0 312.413 3.049 20 10 DGCDRN Cn1c(C2SC=CC2=O)nnc1N1CC[C@@H]2CCCC[C@H]2C1 ZINC001338750259 1095378901 /nfs/dbraw/zinc/37/89/01/1095378901.db2.gz LOIKOGKSGROCIL-RYUDHWBXSA-N 0 0 318.446 3.266 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001221894015 1095383475 /nfs/dbraw/zinc/38/34/75/1095383475.db2.gz LDCSZBKCCZSDKZ-INMHGKMJSA-N 0 0 315.461 3.296 20 10 DGCDRN Nc1ccc(CNC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC001338797742 1095392597 /nfs/dbraw/zinc/39/25/97/1095392597.db2.gz GOSGWYOKMAOOSO-QGZVFWFLSA-N 0 0 313.376 3.455 20 10 DGCDRN CC[C@@H](C)n1nccc1C(=O)NCc1cccc(Cl)c1O ZINC001124070997 1095531731 /nfs/dbraw/zinc/53/17/31/1095531731.db2.gz VBHQVLBKIOTMLL-SNVBAGLBSA-N 0 0 307.781 3.143 20 10 DGCDRN CCOc1ccc(N2CCN(CC(F)(F)C(F)F)CC2)cc1 ZINC001116416138 1095543985 /nfs/dbraw/zinc/54/39/85/1095543985.db2.gz SKZYXCGHIPAKOY-UHFFFAOYSA-N 0 0 320.330 3.108 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)C3(C)CCCC3)CC2)cc1 ZINC001116419488 1095545401 /nfs/dbraw/zinc/54/54/01/1095545401.db2.gz LSYWCLMCQNVKAI-UHFFFAOYSA-N 0 0 316.445 3.314 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)[C@H]3CC[C@H](C)C3)CC2)cc1 ZINC001116480350 1095571046 /nfs/dbraw/zinc/57/10/46/1095571046.db2.gz IWFNNCRAWGPREA-HOTGVXAUSA-N 0 0 316.445 3.170 20 10 DGCDRN COc1ccc(CN2CCC[C@]3(CCCC[NH2+]3)C2)c([O-])c1Cl ZINC001222396236 1095593131 /nfs/dbraw/zinc/59/31/31/1095593131.db2.gz PENSMXZSRZNHDO-QGZVFWFLSA-N 0 0 324.852 3.162 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCC(C)(C)O1 ZINC001124550032 1095603133 /nfs/dbraw/zinc/60/31/33/1095603133.db2.gz VXEAFUWASDSGAZ-QGZVFWFLSA-N 0 0 316.445 3.203 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1CCC(C)=C(C)C1 ZINC001339368294 1095603142 /nfs/dbraw/zinc/60/31/42/1095603142.db2.gz WLKOPOJCKDUWQN-UHFFFAOYSA-N 0 0 304.419 3.279 20 10 DGCDRN CN(C[C@@H]1CC=CCC1)c1nnc(C2SC=CC2=O)n1C ZINC001339459701 1095629739 /nfs/dbraw/zinc/62/97/39/1095629739.db2.gz ZIDPKKGPXQZOPF-LLVKDONJSA-N 0 0 304.419 3.042 20 10 DGCDRN CCO[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C(C)C ZINC001124905476 1095642620 /nfs/dbraw/zinc/64/26/20/1095642620.db2.gz LATDFOKAHLBPGR-GOSISDBHSA-N 0 0 318.461 3.305 20 10 DGCDRN COc1nc(C)ccc1NCc1cc(Br)ccc1O ZINC001171178423 1095649661 /nfs/dbraw/zinc/64/96/61/1095649661.db2.gz ZOUIBWZPAVFYAG-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN COc1ccc(CNC(=S)Nc2cccc(F)c2F)c(O)c1 ZINC001116889998 1095692310 /nfs/dbraw/zinc/69/23/10/1095692310.db2.gz MEDCLOUOBBJPQX-UHFFFAOYSA-N 0 0 324.352 3.166 20 10 DGCDRN Cc1ccc(C)c(N2CC[NH+](Cc3c([O-])cccc3F)CC2)c1 ZINC001137831675 1095755827 /nfs/dbraw/zinc/75/58/27/1095755827.db2.gz JRVWPDPKSRLYQZ-UHFFFAOYSA-N 0 0 314.404 3.470 20 10 DGCDRN Cc1cc(F)ccc1N1CC[NH+](Cc2c([O-])cccc2F)CC1 ZINC001137840132 1095760325 /nfs/dbraw/zinc/76/03/25/1095760325.db2.gz RVRWBWFPXJNNEI-UHFFFAOYSA-N 0 0 318.367 3.301 20 10 DGCDRN CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1c([O-])cccc1F ZINC001137841599 1095760794 /nfs/dbraw/zinc/76/07/94/1095760794.db2.gz LVUACRVXTZYWCI-UHFFFAOYSA-N 0 0 303.333 3.282 20 10 DGCDRN [O-]c1cccc(F)c1C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001137841837 1095762023 /nfs/dbraw/zinc/76/20/23/1095762023.db2.gz XFLGJJBNBAWMTL-GASCZTMLSA-N 0 0 312.388 3.100 20 10 DGCDRN Cc1cc(CN2CCC(=O)[C@H](F)C2)c(C)n1-c1ccccc1 ZINC001137859448 1095770311 /nfs/dbraw/zinc/77/03/11/1095770311.db2.gz YYTHSOVTHFTWIN-QGZVFWFLSA-N 0 0 300.377 3.207 20 10 DGCDRN O=C(Cc1ccc(C2CC2)cc1)N1CCc2cccc(O)c2C1 ZINC001144721138 1095788317 /nfs/dbraw/zinc/78/83/17/1095788317.db2.gz ZCFYUOHBOMMIIV-UHFFFAOYSA-N 0 0 307.393 3.397 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2nc(C)cs2)cc1F ZINC001339973127 1095797020 /nfs/dbraw/zinc/79/70/20/1095797020.db2.gz PISVFTUFRTYGSV-UHFFFAOYSA-N 0 0 321.421 3.367 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)C(C)=C3CCC3)CC2)cc1 ZINC001117794612 1095861625 /nfs/dbraw/zinc/86/16/25/1095861625.db2.gz JPTGLSHOZHRSID-UHFFFAOYSA-N 0 0 314.429 3.234 20 10 DGCDRN CC[C@@H]1CC[C@@H](C)N(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC001223196027 1095898814 /nfs/dbraw/zinc/89/88/14/1095898814.db2.gz CACGOIATJUKSBB-HUUCEWRRSA-N 0 0 303.450 3.473 20 10 DGCDRN C[N@H+](Cc1ccc(-n2ccnc2)cc1)Cc1cccc(F)c1[O-] ZINC001138129541 1095901574 /nfs/dbraw/zinc/90/15/74/1095901574.db2.gz JPSGKSHEVCAJPA-UHFFFAOYSA-N 0 0 311.360 3.349 20 10 DGCDRN C[C@@H]([NH2+]CCC(=O)N1CCC[C@@H](C)C1)c1ccc(Cl)cc1[O-] ZINC001118027232 1095923410 /nfs/dbraw/zinc/92/34/10/1095923410.db2.gz VPPKZFKUQRDIFK-CHWSQXEVSA-N 0 0 324.852 3.345 20 10 DGCDRN CSCC1(CC(=O)Nc2c3nonc3ccc2Cl)CC1 ZINC001118229364 1095964125 /nfs/dbraw/zinc/96/41/25/1095964125.db2.gz ZTULYBFSRQEQQN-UHFFFAOYSA-N 0 0 311.794 3.348 20 10 DGCDRN Cc1ccc(O[C@H](C)C(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001146232464 1096008458 /nfs/dbraw/zinc/00/84/58/1096008458.db2.gz LQETYFKMDJHDTH-GFCCVEGCSA-N 0 0 319.788 3.438 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1CC[C@H](C2CCC2)C1 ZINC001340903210 1096065150 /nfs/dbraw/zinc/06/51/50/1096065150.db2.gz NGQMQMSKFGBPPO-LBPRGKRZSA-N 0 0 318.446 3.359 20 10 DGCDRN O=C(NCc1cc(Cl)c2cccnc2c1O)C1CC=CC1 ZINC001146703728 1096084237 /nfs/dbraw/zinc/08/42/37/1096084237.db2.gz VLPOVXDNWVLHTG-UHFFFAOYSA-N 0 0 302.761 3.176 20 10 DGCDRN Oc1cccc(Br)c1CN[C@H]1CCCc2c[nH]nc21 ZINC001118855161 1096093379 /nfs/dbraw/zinc/09/33/79/1096093379.db2.gz AWLPTKOIGCPHLI-LBPRGKRZSA-N 0 0 322.206 3.045 20 10 DGCDRN CN(C)c1cc(F)c(CNc2ccc([S@@](C)=O)cc2)cc1F ZINC001118858320 1096093860 /nfs/dbraw/zinc/09/38/60/1096093860.db2.gz GCQNDSCIDKVIBH-JOCHJYFZSA-N 0 0 324.396 3.380 20 10 DGCDRN CS[C@H]1CCC[C@H](NC(=O)N[C@@H](C)c2ccccc2O)C1 ZINC001119146757 1096136798 /nfs/dbraw/zinc/13/67/98/1096136798.db2.gz XCWBKRXPHIUHJO-AVGNSLFASA-N 0 0 308.447 3.427 20 10 DGCDRN COc1cc(C)cc(CNc2ccc(N3CCC3=O)cc2)c1O ZINC001119511818 1096217437 /nfs/dbraw/zinc/21/74/37/1096217437.db2.gz HIVIBFOFMHBEQO-UHFFFAOYSA-N 0 0 312.369 3.058 20 10 DGCDRN Cc1cc(Cl)nc(Cl)c1C(=O)NCc1ccccc1O ZINC001147902137 1096289536 /nfs/dbraw/zinc/28/95/36/1096289536.db2.gz XQGOTBXDSFEZGE-UHFFFAOYSA-N 0 0 311.168 3.332 20 10 DGCDRN O=C(N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1)c1cccc(O)c1O ZINC001148224451 1096329980 /nfs/dbraw/zinc/32/99/80/1096329980.db2.gz MDEKODIBGCUTOK-JFTQMJAMSA-N 0 0 323.392 3.410 20 10 DGCDRN CC(C)C[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)c1ccccc1 ZINC001148589641 1096408756 /nfs/dbraw/zinc/40/87/56/1096408756.db2.gz FUUFQQWUDDONQR-CQSZACIVSA-N 0 0 315.369 3.321 20 10 DGCDRN Cc1cc(C)c(C(N)=O)c(NCc2cc3ccccc3cc2O)n1 ZINC001171399111 1096659424 /nfs/dbraw/zinc/65/94/24/1096659424.db2.gz CPZDELPDFLMFQI-UHFFFAOYSA-N 0 0 321.380 3.268 20 10 DGCDRN Oc1cc2ccccc2cc1CNc1cc(-n2ccnc2)ncn1 ZINC001171399505 1096659684 /nfs/dbraw/zinc/65/96/84/1096659684.db2.gz IHTNIUQYZFENOT-UHFFFAOYSA-N 0 0 317.352 3.133 20 10 DGCDRN O=C1Cc2cnc(NCc3cc4ccccc4cc3O)cc2N1 ZINC001171399100 1096659702 /nfs/dbraw/zinc/65/97/02/1096659702.db2.gz CETAFWSADZFEKH-UHFFFAOYSA-N 0 0 305.337 3.047 20 10 DGCDRN Cc1nc(Cl)nc(NCc2cc3ccccc3cc2O)n1 ZINC001171400227 1096666122 /nfs/dbraw/zinc/66/61/22/1096666122.db2.gz PLBNBVUACGFMJY-UHFFFAOYSA-N 0 0 300.749 3.304 20 10 DGCDRN C[C@@H](NC(=O)c1cnn(Cc2ccccc2)c1)c1ccccc1O ZINC001171717505 1096953647 /nfs/dbraw/zinc/95/36/47/1096953647.db2.gz UDYFYAJBBOESTR-CQSZACIVSA-N 0 0 321.380 3.128 20 10 DGCDRN C[C@@H](NC(=O)Cc1c[nH]c2ccc(F)cc12)c1ccccc1O ZINC001171723129 1096954640 /nfs/dbraw/zinc/95/46/40/1096954640.db2.gz MXDAIHKSPVWDHG-LLVKDONJSA-N 0 0 312.344 3.433 20 10 DGCDRN COC(=O)[C@@H](Oc1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC001227939354 1097017326 /nfs/dbraw/zinc/01/73/26/1097017326.db2.gz UEKINMGBNYNHJJ-INIZCTEOSA-N 0 0 303.333 3.185 20 10 DGCDRN CC[C@@H](COC)Oc1c(O)c(O)ccc1C(=O)c1ccccc1 ZINC001227938156 1097017505 /nfs/dbraw/zinc/01/75/05/1097017505.db2.gz RKZAHEIJHHJXKN-ZDUSSCGKSA-N 0 0 316.353 3.133 20 10 DGCDRN O=C1c2ccccc2C(=O)c2c(O[C@@H]3CCCOC3)cccc21 ZINC001228072596 1097045239 /nfs/dbraw/zinc/04/52/39/1097045239.db2.gz CNOYZZBJRJWPIW-GFCCVEGCSA-N 0 0 308.333 3.020 20 10 DGCDRN O=C1CCCC[C@H]1Oc1cccc2c1C(=O)c1ccccc1C2=O ZINC001228079403 1097046264 /nfs/dbraw/zinc/04/62/64/1097046264.db2.gz NXJGWKWZLUFDFY-MRXNPFEDSA-N 0 0 320.344 3.353 20 10 DGCDRN C[C@H]1COCC[C@H]1Oc1cccc2c1C(=O)c1ccccc1C2=O ZINC001228078327 1097046622 /nfs/dbraw/zinc/04/66/22/1097046622.db2.gz GYCSUJAUJQWEEC-BLLLJJGKSA-N 0 0 322.360 3.266 20 10 DGCDRN [O-]c1c(C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)cc(Cl)c2cccnc12 ZINC001172218858 1097079597 /nfs/dbraw/zinc/07/95/97/1097079597.db2.gz FOPSWWQXVNHXKZ-YHWZYXNKSA-N 0 0 318.804 3.393 20 10 DGCDRN C[C@@H](O)CC(=O)Oc1ccccc1NN=C1C=CC=CC1=O ZINC001228417824 1097116597 /nfs/dbraw/zinc/11/65/97/1097116597.db2.gz AAKYGLQHYTYALB-IEBXDZTQSA-N 0 0 300.314 3.484 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N(O)Cc1ccccc1 ZINC001228575568 1097144900 /nfs/dbraw/zinc/14/49/00/1097144900.db2.gz MHHZHDWBLXIDLI-UHFFFAOYSA-N 0 0 323.396 3.164 20 10 DGCDRN CC[C@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@H]1C ZINC001228576613 1097145129 /nfs/dbraw/zinc/14/51/29/1097145129.db2.gz QNEGNJHMPMIDJP-RDJZCZTQSA-N 0 0 313.445 3.393 20 10 DGCDRN COc1cccc(-c2noc(-c3nnsc3C3CC3)n2)c1F ZINC001212679757 1097227921 /nfs/dbraw/zinc/22/79/21/1097227921.db2.gz SGVAKIFEWMYTFS-UHFFFAOYSA-N 0 0 318.333 3.280 20 10 DGCDRN CC(C)c1ccccc1N(C)S(=O)(=O)Cc1ccc(N)cc1 ZINC001174047167 1097599873 /nfs/dbraw/zinc/59/98/73/1097599873.db2.gz SJUVOEFUGRFMGO-UHFFFAOYSA-N 0 0 318.442 3.358 20 10 DGCDRN Cn1cc(Nc2ccccc2C(=O)c2ccccc2)ccc1=O ZINC001174357412 1097694142 /nfs/dbraw/zinc/69/41/42/1097694142.db2.gz NCFAMUARPYDZBP-UHFFFAOYSA-N 0 0 304.349 3.360 20 10 DGCDRN Nc1ccc(OC(=O)c2ccc(Nc3cncnc3)cc2)cc1 ZINC001174387087 1097705082 /nfs/dbraw/zinc/70/50/82/1097705082.db2.gz HYCJPJOLNLQFAK-UHFFFAOYSA-N 0 0 306.325 3.022 20 10 DGCDRN C[C@H]1C[C@@H](Oc2ccc3c(c2)C(=O)c2ccccc2C3=O)CCO1 ZINC001231266397 1097708093 /nfs/dbraw/zinc/70/80/93/1097708093.db2.gz TZXBUOJDMDWCNI-JSGCOSHPSA-N 0 0 322.360 3.408 20 10 DGCDRN C[C@H]1COCC[C@@H]1Oc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001231265422 1097708255 /nfs/dbraw/zinc/70/82/55/1097708255.db2.gz DZMMPMBSCWCREP-SGTLLEGYSA-N 0 0 322.360 3.266 20 10 DGCDRN O=C1c2ccccc2C(=O)c2cc(OC[C@@H]3CCCO3)ccc21 ZINC001231265588 1097708274 /nfs/dbraw/zinc/70/82/74/1097708274.db2.gz GSQRZCUSKJMVQL-ZDUSSCGKSA-N 0 0 308.333 3.020 20 10 DGCDRN C[C@H](CON)Oc1cc(N(C)C)ccc1/N=N/c1ccccn1 ZINC001231330154 1097722604 /nfs/dbraw/zinc/72/26/04/1097722604.db2.gz XGQWDXDNCDKWGN-WMSNYHIESA-N 0 0 315.377 3.221 20 10 DGCDRN O=C([O-])c1ccc(C[NH+]2CCC3(CC[C@H](F)C3)CC2)c(O)c1 ZINC001231452121 1097751452 /nfs/dbraw/zinc/75/14/52/1097751452.db2.gz AORISQBAIYHKSU-AWEZNQCLSA-N 0 0 307.365 3.195 20 10 DGCDRN O=C([O-])c1ccc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)c(O)c1 ZINC001231451839 1097751697 /nfs/dbraw/zinc/75/16/97/1097751697.db2.gz WPESBVQNUGIIPW-INIZCTEOSA-N 0 0 311.381 3.470 20 10 DGCDRN O=C([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2cccs2)c(O)c1 ZINC001231453004 1097753958 /nfs/dbraw/zinc/75/39/58/1097753958.db2.gz ZSIKDYOEUKLGHI-ZDUSSCGKSA-N 0 0 303.383 3.489 20 10 DGCDRN Oc1ccc2ccccc2c1CN1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001231591130 1097787248 /nfs/dbraw/zinc/78/72/48/1097787248.db2.gz VJGSLIUGMOVVBB-HZUKXOBISA-N 0 0 323.314 3.449 20 10 DGCDRN COc1cc(N(C)C)ccc1CN1Cc2cnc(Cl)cc2C1 ZINC001231857094 1097867253 /nfs/dbraw/zinc/86/72/53/1097867253.db2.gz VURXYROBGMDPRQ-UHFFFAOYSA-N 0 0 317.820 3.325 20 10 DGCDRN COc1cc(N(C)C)ccc1CN(C)CC(=O)c1ccccc1 ZINC001231855339 1097867488 /nfs/dbraw/zinc/86/74/88/1097867488.db2.gz QYRJBQXXFGWADG-UHFFFAOYSA-N 0 0 312.413 3.076 20 10 DGCDRN Cc1cc(O)c(CN2CCc3nc(Cl)ncc3C2)cc1Cl ZINC001231870512 1097872649 /nfs/dbraw/zinc/87/26/49/1097872649.db2.gz GYHLZDKHUOCTFF-UHFFFAOYSA-N 0 0 324.211 3.356 20 10 DGCDRN C[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CC[C@]1(O)C(F)(F)F ZINC001231910673 1097889972 /nfs/dbraw/zinc/88/99/72/1097889972.db2.gz QESBFNGUVAUBAN-TVQRCGJNSA-N 0 0 323.742 3.181 20 10 DGCDRN COC(=O)CC[N@H+](Cc1ccco1)Cc1cccc(Cl)c1[O-] ZINC001231912017 1097891033 /nfs/dbraw/zinc/89/10/33/1097891033.db2.gz SOGQCXNPRPMSAV-UHFFFAOYSA-N 0 0 323.776 3.204 20 10 DGCDRN Cc1cccnc1O[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001231914037 1097891894 /nfs/dbraw/zinc/89/18/94/1097891894.db2.gz XFCHEFKBROYHLK-AWEZNQCLSA-N 0 0 318.804 3.402 20 10 DGCDRN COc1ccc(N2CCN(Cc3ncsc3C)CC2)c(C)c1 ZINC001232205079 1097964818 /nfs/dbraw/zinc/96/48/18/1097964818.db2.gz FQYXZTVKDYGIJB-UHFFFAOYSA-N 0 0 317.458 3.091 20 10 DGCDRN Oc1cccc2c1CN(Cc1ccnc(C(F)(F)F)c1)CC2 ZINC001232239863 1097979254 /nfs/dbraw/zinc/97/92/54/1097979254.db2.gz ANUASLBEVZLCJL-UHFFFAOYSA-N 0 0 308.303 3.364 20 10 DGCDRN Cc1cc([C@H]2CCCN2Cc2cc(Cl)c(O)cc2O)no1 ZINC001232260399 1097984647 /nfs/dbraw/zinc/98/46/47/1097984647.db2.gz PNGHTIHUDHNYHN-CYBMUJFWSA-N 0 0 308.765 3.385 20 10 DGCDRN COc1cc(O)c(CN2CCOc3ccccc3C2)cc1Cl ZINC001232265191 1097987190 /nfs/dbraw/zinc/98/71/90/1097987190.db2.gz QXKFHZXEANVEPL-UHFFFAOYSA-N 0 0 319.788 3.449 20 10 DGCDRN COc1cc(O)c(CN2CCC[C@@H]2c2cnccn2)cc1Cl ZINC001232270065 1097988497 /nfs/dbraw/zinc/98/84/97/1097988497.db2.gz RPLQJTQLYCKVBC-CQSZACIVSA-N 0 0 319.792 3.181 20 10 DGCDRN CSc1ccc(CN2CCCc3cc(O)c(O)cc3C2)cn1 ZINC001232329885 1098005138 /nfs/dbraw/zinc/00/51/38/1098005138.db2.gz JCTOIJADINHBMU-UHFFFAOYSA-N 0 0 316.426 3.163 20 10 DGCDRN COC(=O)c1c(C)sc(C)c1NC(=O)C1=CC(=O)CS1 ZINC001175374697 1098028965 /nfs/dbraw/zinc/02/89/65/1098028965.db2.gz QYZBZEVZOVFBIC-UHFFFAOYSA-N 0 0 311.384 3.171 20 10 DGCDRN COC(=O)c1c(C[NH+]2CCC(CF)CC2)c2ccccc2n1C ZINC001232405268 1098030193 /nfs/dbraw/zinc/03/01/93/1098030193.db2.gz HZVRPNMNBZDYMZ-UHFFFAOYSA-N 0 0 318.392 3.146 20 10 DGCDRN CCc1csc(CN2CCN(c3ccc(OC)cc3)CC2)n1 ZINC001232468839 1098047423 /nfs/dbraw/zinc/04/74/23/1098047423.db2.gz FKJCCKNMEZNLBJ-UHFFFAOYSA-N 0 0 317.458 3.036 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1cc3ccoc3cn1)CCC2 ZINC001232555869 1098075858 /nfs/dbraw/zinc/07/58/58/1098075858.db2.gz DMDBJHZSMDAIJC-UHFFFAOYSA-N 0 0 310.353 3.187 20 10 DGCDRN Cc1nc(N)ncc1Nc1ccccc1C(=O)c1ccc(F)cc1 ZINC001175670019 1098131572 /nfs/dbraw/zinc/13/15/72/1098131572.db2.gz RCUZNJBOSSJTID-UHFFFAOYSA-N 0 0 322.343 3.481 20 10 DGCDRN CN(C)c1ccc(C[N@H+](C)Cc2cccc(F)c2F)c(O)c1 ZINC001232840505 1098150248 /nfs/dbraw/zinc/15/02/48/1098150248.db2.gz BPWRBNXYPKNRNV-UHFFFAOYSA-N 0 0 306.356 3.368 20 10 DGCDRN Oc1cccc2c1CN(Cc1cc(Br)co1)CC2 ZINC001232856352 1098154498 /nfs/dbraw/zinc/15/44/98/1098154498.db2.gz RVRQEOBOVWFKEM-UHFFFAOYSA-N 0 0 308.175 3.306 20 10 DGCDRN O=C1c2ccccc2C(=O)c2c(Nc3cscn3)ccc(O)c21 ZINC001175944699 1098201369 /nfs/dbraw/zinc/20/13/69/1098201369.db2.gz HQXHEJFFECFZAE-UHFFFAOYSA-N 0 0 322.345 3.368 20 10 DGCDRN Oc1cc(CN2CCc3ccc(Cl)cc3C2)cc(O)c1O ZINC001233010564 1098202145 /nfs/dbraw/zinc/20/21/45/1098202145.db2.gz QMLNGJAPLIMCIN-UHFFFAOYSA-N 0 0 305.761 3.015 20 10 DGCDRN COc1cccc([C@@H]2CCCN2Cc2cc(O)c(O)c(O)c2)c1 ZINC001233016706 1098203819 /nfs/dbraw/zinc/20/38/19/1098203819.db2.gz LMRQSSBCCORFKE-HNNXBMFYSA-N 0 0 315.369 3.149 20 10 DGCDRN CC1CCC([NH+]2CCN(Cc3ccc(F)c(F)c3[O-])CC2)CC1 ZINC001233077372 1098219077 /nfs/dbraw/zinc/21/90/77/1098219077.db2.gz LOMQRPXOTRUIJN-UHFFFAOYSA-N 0 0 324.415 3.367 20 10 DGCDRN C[N@H+](CCCC(=O)c1cccnc1)Cc1ccc(F)c(F)c1[O-] ZINC001233077355 1098219217 /nfs/dbraw/zinc/21/92/17/1098219217.db2.gz KYOUNIQDYUDDJZ-UHFFFAOYSA-N 0 0 320.339 3.160 20 10 DGCDRN [O-]c1c(CN2CC[NH+](C3CCCCC3)CC2)ccc(F)c1F ZINC001233074382 1098219370 /nfs/dbraw/zinc/21/93/70/1098219370.db2.gz OZFBTEKVIKWDAZ-UHFFFAOYSA-N 0 0 310.388 3.121 20 10 DGCDRN COc1ccc(CC[N@H+](C)Cc2ccc(F)c(F)c2[O-])cc1 ZINC001233077135 1098219727 /nfs/dbraw/zinc/21/97/27/1098219727.db2.gz GBVADNFWROIEIW-UHFFFAOYSA-N 0 0 307.340 3.354 20 10 DGCDRN C[N@H+](CCC(=O)c1ccccc1)Cc1ccc(F)c(F)c1[O-] ZINC001233077447 1098221299 /nfs/dbraw/zinc/22/12/99/1098221299.db2.gz PCAISZYGTZQSOC-UHFFFAOYSA-N 0 0 305.324 3.375 20 10 DGCDRN COc1cc(O)c(CN2CC3(CCC3)C2)cc1Br ZINC001233137497 1098235416 /nfs/dbraw/zinc/23/54/16/1098235416.db2.gz PGDPIFQQLHLFAL-UHFFFAOYSA-N 0 0 312.207 3.149 20 10 DGCDRN CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(O)c1OC ZINC001233258030 1098266086 /nfs/dbraw/zinc/26/60/86/1098266086.db2.gz NSSYAXXEDDMZCJ-UHFFFAOYSA-N 0 0 314.429 3.489 20 10 DGCDRN COC(=O)[C@@H]1CCCCN1Cc1cc(C(C)(C)C)ccc1O ZINC001233284538 1098275221 /nfs/dbraw/zinc/27/52/21/1098275221.db2.gz YWLQQAJYIRKCDT-HNNXBMFYSA-N 0 0 305.418 3.217 20 10 DGCDRN COc1cc(Cl)cc(CN2CCc3ncccc3C2)c1O ZINC001233289833 1098278404 /nfs/dbraw/zinc/27/84/04/1098278404.db2.gz RNXLHASIXXIYTA-UHFFFAOYSA-N 0 0 304.777 3.008 20 10 DGCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC001233334562 1098291962 /nfs/dbraw/zinc/29/19/62/1098291962.db2.gz LWNVSKVXOXZCCM-LBPRGKRZSA-N 0 0 304.340 3.445 20 10 DGCDRN Cc1ccc(O[C@H]2CC[N@H+](Cc3c([O-])ccc(F)c3F)C2)nc1 ZINC001233336478 1098293962 /nfs/dbraw/zinc/29/39/62/1098293962.db2.gz NGCLPKDEIVARRF-LBPRGKRZSA-N 0 0 320.339 3.027 20 10 DGCDRN CN(Cc1cccc2c1OCO2)Cc1c(O)ccc(F)c1F ZINC001233336254 1098293995 /nfs/dbraw/zinc/29/39/95/1098293995.db2.gz FNFKMEQZJHIOFE-UHFFFAOYSA-N 0 0 307.296 3.031 20 10 DGCDRN CCN(CC)C(=O)c1cc(F)cc(Nc2cccc(O)c2O)c1 ZINC001176297895 1098319012 /nfs/dbraw/zinc/31/90/12/1098319012.db2.gz MMHLHXMERXSFNL-UHFFFAOYSA-N 0 0 318.348 3.463 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CC[C@@]1(C)O ZINC001233415785 1098323073 /nfs/dbraw/zinc/32/30/73/1098323073.db2.gz IQTQFLUHGJCCBC-QMTHXVAHSA-N 0 0 303.324 3.004 20 10 DGCDRN CC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233455055 1098339934 /nfs/dbraw/zinc/33/99/34/1098339934.db2.gz UMRHGNSCDZRFIB-CYBMUJFWSA-N 0 0 301.308 3.355 20 10 DGCDRN CC(C)O[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233454993 1098340431 /nfs/dbraw/zinc/34/04/31/1098340431.db2.gz RNWREWDGJRRBSC-ZDUSSCGKSA-N 0 0 303.324 3.410 20 10 DGCDRN O=C1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(C(F)(F)F)cc1O ZINC001233454342 1098340840 /nfs/dbraw/zinc/34/08/40/1098340840.db2.gz QUBURXXNJHDFSF-BETUJISGSA-N 0 0 313.319 3.497 20 10 DGCDRN CCN(Cc1cc(O)c(O)cc1O)Cc1cccc(F)c1F ZINC001233486907 1098346946 /nfs/dbraw/zinc/34/69/46/1098346946.db2.gz HUVGYHGSQANBKE-UHFFFAOYSA-N 0 0 309.312 3.104 20 10 DGCDRN Oc1c(CN2Cc3ncsc3C2)cccc1OC(F)(F)F ZINC001233768772 1098426910 /nfs/dbraw/zinc/42/69/10/1098426910.db2.gz YUQSDMJHIULHCW-UHFFFAOYSA-N 0 0 316.304 3.263 20 10 DGCDRN O=c1cc2[nH]cnc(O[C@H]3CCc4cc(F)ccc43)c-2cc1O ZINC001233949153 1098464737 /nfs/dbraw/zinc/46/47/37/1098464737.db2.gz YDWVFBYZISSNSZ-INIZCTEOSA-N 0 0 312.300 3.246 20 10 DGCDRN CON(C)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001234326679 1098537964 /nfs/dbraw/zinc/53/79/64/1098537964.db2.gz LKWDWDCYWKKOQS-UHFFFAOYSA-N 0 0 301.390 3.105 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1O[C@H]1CCC(=O)c2ccccc21 ZINC001234473885 1098565008 /nfs/dbraw/zinc/56/50/08/1098565008.db2.gz LNSJSYPIUNZEBR-KRWDZBQOSA-N 0 0 312.321 3.397 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H](C)COCc1ccccc1 ZINC001234474964 1098565146 /nfs/dbraw/zinc/56/51/46/1098565146.db2.gz AYCZCSHIKNTULF-LBPRGKRZSA-N 0 0 316.353 3.285 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3C[C@H](CO)CC[C@@H]3C)c2c1 ZINC001234525969 1098580218 /nfs/dbraw/zinc/58/02/18/1098580218.db2.gz OKSMFTQEKGDZFP-UONOGXRCSA-N 0 0 315.413 3.147 20 10 DGCDRN COc1ccc2ccc(O)c(CN3Cc4ccncc4C3)c2c1 ZINC001234552756 1098596778 /nfs/dbraw/zinc/59/67/78/1098596778.db2.gz GTHBWPVUYJDENR-UHFFFAOYSA-N 0 0 306.365 3.465 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC001177822478 1098607633 /nfs/dbraw/zinc/60/76/33/1098607633.db2.gz KKWMLGGNOSQWAV-MRVPVSSYSA-N 0 0 319.311 3.103 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)Cc1ccc[nH]1 ZINC001177873749 1098626301 /nfs/dbraw/zinc/62/63/01/1098626301.db2.gz ADQPWFUHJMDFRK-GOSISDBHSA-N 0 0 312.413 3.319 20 10 DGCDRN C[C@@H](C(=O)NCc1c(O)cccc1F)c1ccc(F)c(F)c1 ZINC001178413450 1098827839 /nfs/dbraw/zinc/82/78/39/1098827839.db2.gz RXYCMUNCPZQJDK-SECBINFHSA-N 0 0 309.287 3.229 20 10 DGCDRN Cc1ccc(C(F)(F)C(=O)NCc2c(O)cccc2F)cc1 ZINC001178412594 1098828191 /nfs/dbraw/zinc/82/81/91/1098828191.db2.gz AZMPCAPPUDRNJA-UHFFFAOYSA-N 0 0 309.287 3.248 20 10 DGCDRN [O-]c1c(Br)cc(F)cc1C[N@@H+]1CCCC12CC2 ZINC001235297477 1098948159 /nfs/dbraw/zinc/94/81/59/1098948159.db2.gz MMPLDNOEHIKMRE-UHFFFAOYSA-N 0 0 300.171 3.422 20 10 DGCDRN O=C(NCc1c(O)cccc1O)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001178912696 1098971253 /nfs/dbraw/zinc/97/12/53/1098971253.db2.gz WTAMIMCAJRDGRO-CABCVRRESA-N 0 0 311.381 3.298 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC1(c2ncccn2)CCC1 ZINC001179448023 1099097280 /nfs/dbraw/zinc/09/72/80/1099097280.db2.gz VJJRLYBOKCXQIX-UHFFFAOYSA-N 0 0 306.413 3.446 20 10 DGCDRN CCOC(=O)[C@]12C[C@H]1CCN2Cc1ccc(C(C)(C)C)cc1O ZINC001235681714 1099124533 /nfs/dbraw/zinc/12/45/33/1099124533.db2.gz JFJHVTUFFBYLSQ-BEFAXECRSA-N 0 0 317.429 3.217 20 10 DGCDRN CCC[C@H](O)CCNC(=O)c1sccc1-n1c(C)ccc1C ZINC001179583995 1099150724 /nfs/dbraw/zinc/15/07/24/1099150724.db2.gz SIKZTLQGEQNOBH-AWEZNQCLSA-N 0 0 320.458 3.437 20 10 DGCDRN C[C@H](NC(=O)NCc1ccccc1O)c1cc2cnccc2o1 ZINC001235735971 1099153650 /nfs/dbraw/zinc/15/36/50/1099153650.db2.gz LSMJIHVMFJKZHR-NSHDSACASA-N 0 0 311.341 3.094 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H](CCO)C1CCCC1 ZINC001179670643 1099171102 /nfs/dbraw/zinc/17/11/02/1099171102.db2.gz ZOXIETPAUCIGGF-CYBMUJFWSA-N 0 0 301.789 3.216 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)Nc2cccc3cnncc32)cc1 ZINC001180128507 1099307716 /nfs/dbraw/zinc/30/77/16/1099307716.db2.gz NMSYXSDSZLRMJR-DHZHZOJOSA-N 0 0 318.380 3.348 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)Nc2nnc(-c3ccco3)o2)cc1 ZINC001180122052 1099321850 /nfs/dbraw/zinc/32/18/50/1099321850.db2.gz FFEZLCACZQQLCI-JXMROGBWSA-N 0 0 324.340 3.048 20 10 DGCDRN CC(=O)Oc1ccc(NC(=O)/C=C/c2ccc(N(C)C)cc2)cc1 ZINC001180128098 1099323066 /nfs/dbraw/zinc/32/30/66/1099323066.db2.gz BABUBPJTRROOLD-AWNIVKPZSA-N 0 0 324.380 3.330 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CCC=CCCC1 ZINC001180307465 1099365876 /nfs/dbraw/zinc/36/58/76/1099365876.db2.gz OQJRLJYGRRYUQK-MRYVQMPPSA-N 0 0 301.386 3.364 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H]1CCC=CCCC1 ZINC001180307466 1099368025 /nfs/dbraw/zinc/36/80/25/1099368025.db2.gz OQJRLJYGRRYUQK-RQQVKIIYSA-N 0 0 301.386 3.364 20 10 DGCDRN [O-]c1c(Cl)cccc1CN1CC[NH2+]C[C@@H]1c1ccc(F)cc1 ZINC001236128848 1099415503 /nfs/dbraw/zinc/41/55/03/1099415503.db2.gz JLYGOYCHRMSQSM-MRXNPFEDSA-N 0 0 320.795 3.331 20 10 DGCDRN CCCC[C@H]1CN(Cc2cc(F)cc(Cl)c2[O-])CC[NH2+]1 ZINC001236141221 1099426844 /nfs/dbraw/zinc/42/68/44/1099426844.db2.gz IUZFLCMFEUVECX-ZDUSSCGKSA-N 0 0 300.805 3.149 20 10 DGCDRN COC(=O)[C@@H](C)N(Cc1cc(Cl)c(C)cc1O)C1CCC1 ZINC001180865393 1099516888 /nfs/dbraw/zinc/51/68/88/1099516888.db2.gz JRENYABBBSMAMY-LLVKDONJSA-N 0 0 311.809 3.270 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2cc(C(F)(F)F)c[nH]2)c(O)c1 ZINC001187710231 1099583775 /nfs/dbraw/zinc/58/37/75/1099583775.db2.gz VINTWDCEJOSVFF-UHFFFAOYSA-N 0 0 312.291 3.286 20 10 DGCDRN COC(=O)c1ccc(NC(=O)Nc2nc3ccccc3n2C)cc1 ZINC001187754909 1099598624 /nfs/dbraw/zinc/59/86/24/1099598624.db2.gz OJOHMCSKOGSUGF-UHFFFAOYSA-N 0 0 324.340 3.004 20 10 DGCDRN CC(C)Oc1cncc(-c2ccn(Cc3cccnc3)c(=O)c2)c1 ZINC001236521915 1099657040 /nfs/dbraw/zinc/65/70/40/1099657040.db2.gz SFLNERJKLKGPFO-UHFFFAOYSA-N 0 0 321.380 3.141 20 10 DGCDRN Cc1cc(-c2nc3ccccc3n2C)c(-c2cncc(O)c2)nn1 ZINC001236576884 1099686471 /nfs/dbraw/zinc/68/64/71/1099686471.db2.gz DXPDMIKATSONNF-UHFFFAOYSA-N 0 0 317.352 3.106 20 10 DGCDRN CCOc1ccc(N2CCN(Cc3oc(C)nc3C)CC2)cc1 ZINC001236593386 1099691928 /nfs/dbraw/zinc/69/19/28/1099691928.db2.gz BEWGTYWRPOPTAD-UHFFFAOYSA-N 0 0 315.417 3.012 20 10 DGCDRN C[C@]1(O)CCCC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236794962 1099789864 /nfs/dbraw/zinc/78/98/64/1099789864.db2.gz YJBPKQKGERGBGK-AWEZNQCLSA-N 0 0 304.217 3.436 20 10 DGCDRN Oc1cc(CN2CCC(F)(F)CC2)c(O)cc1Br ZINC001236772741 1099776646 /nfs/dbraw/zinc/77/66/46/1099776646.db2.gz JLIHULGSKUOEDV-UHFFFAOYSA-N 0 0 322.149 3.091 20 10 DGCDRN CCc1ccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c(O)c1 ZINC001236783552 1099779848 /nfs/dbraw/zinc/77/98/48/1099779848.db2.gz MFAGPKLDEVIZBF-OAHLLOKOSA-N 0 0 317.351 3.234 20 10 DGCDRN CCc1ccc(C[N@@H+]2CCN(C)C[C@H]2c2ccccc2)c(O)c1 ZINC001236783073 1099781369 /nfs/dbraw/zinc/78/13/69/1099781369.db2.gz HSSNARFXUFNZNQ-IBGZPJMESA-N 0 0 310.441 3.443 20 10 DGCDRN CCc1ccc(CN2[C@@H](CO)CCC[C@H]2C(F)(F)F)c(O)c1 ZINC001236784727 1099782654 /nfs/dbraw/zinc/78/26/54/1099782654.db2.gz ZNQZFQMHMKVWIX-HIFRSBDPSA-N 0 0 317.351 3.232 20 10 DGCDRN COc1ccc(NC(=O)N[C@H](C)c2ccccc2O)c(OC)c1 ZINC001188567521 1099783815 /nfs/dbraw/zinc/78/38/15/1099783815.db2.gz VSLPEGPGULCGMU-LLVKDONJSA-N 0 0 316.357 3.292 20 10 DGCDRN CCc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)c(O)c1 ZINC001236788879 1099785573 /nfs/dbraw/zinc/78/55/73/1099785573.db2.gz SBIBIJUCQJDQIJ-QGZVFWFLSA-N 0 0 312.413 3.311 20 10 DGCDRN CCOC(=O)c1coc2c1CN(Cc1ccc(CC)cc1O)C2 ZINC001236791725 1099787202 /nfs/dbraw/zinc/78/72/02/1099787202.db2.gz IXAUIFKWCGDVOW-UHFFFAOYSA-N 0 0 315.369 3.240 20 10 DGCDRN C[N@H+](Cc1cc(Cl)c(Cl)cc1[O-])[C@H]1CC[C@H](O)CC1 ZINC001236793691 1099787510 /nfs/dbraw/zinc/78/75/10/1099787510.db2.gz NUWGGAFUPDMLLZ-XYPYZODXSA-N 0 0 304.217 3.434 20 10 DGCDRN COC(=O)[C@@H]1CCCCN1Cc1cc(Cl)c(Cl)cc1O ZINC001236792102 1099787715 /nfs/dbraw/zinc/78/77/15/1099787715.db2.gz BSKDNQRIKFGARL-LBPRGKRZSA-N 0 0 318.200 3.227 20 10 DGCDRN COc1cc(O)c(CN2CCc3ccncc3C2)c(Cl)c1 ZINC001236804349 1099796338 /nfs/dbraw/zinc/79/63/38/1099796338.db2.gz UDAZFTLJXABCGP-UHFFFAOYSA-N 0 0 304.777 3.008 20 10 DGCDRN COc1ccc(C[N@@H+]2CC[C@H](c3cccnc3)C2)c([O-])c1Cl ZINC001236812403 1099802104 /nfs/dbraw/zinc/80/21/04/1099802104.db2.gz VKOFKSIZAGDTFI-ZDUSSCGKSA-N 0 0 318.804 3.439 20 10 DGCDRN COc1cc(C)c(CN2CCCC[C@@H]2c2noc(C)n2)c(O)c1 ZINC001236814086 1099803183 /nfs/dbraw/zinc/80/31/83/1099803183.db2.gz OXJUFBJYPDAZDD-OAHLLOKOSA-N 0 0 317.389 3.128 20 10 DGCDRN Oc1cc2ccccc2cc1CN1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001236834223 1099821043 /nfs/dbraw/zinc/82/10/43/1099821043.db2.gz UXTVDOPRJGEBCR-OFQRWUPVSA-N 0 0 323.314 3.449 20 10 DGCDRN C[N@@H+](Cc1ccc(Br)cc1O)C[C@H]1CCCOC1 ZINC000691677331 1099937235 /nfs/dbraw/zinc/93/72/35/1099937235.db2.gz NBEPOZDVTVAPBK-LLVKDONJSA-N 0 0 314.223 3.013 20 10 DGCDRN CC(C)c1ccc(CN2CCO[C@H](C(F)(F)F)C2)c(O)c1 ZINC001237049100 1099944984 /nfs/dbraw/zinc/94/49/84/1099944984.db2.gz LFBHRGUPPSUKNO-AWEZNQCLSA-N 0 0 303.324 3.279 20 10 DGCDRN [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CCC[C@@H](CO)CC1 ZINC001237076972 1099956612 /nfs/dbraw/zinc/95/66/12/1099956612.db2.gz BELDXEDYJKPDMX-SNVBAGLBSA-N 0 0 304.217 3.293 20 10 DGCDRN Cn1ccc(C2CC[NH+](Cc3c(O)ccc(F)c3Cl)CC2)n1 ZINC001237127527 1099984527 /nfs/dbraw/zinc/98/45/27/1099984527.db2.gz CEYPZYADORTLFC-UHFFFAOYSA-N 0 0 323.799 3.298 20 10 DGCDRN Oc1ccc(F)c(Cl)c1CN1CCO[C@@H](c2ccncc2)C1 ZINC001237131065 1099986838 /nfs/dbraw/zinc/98/68/38/1099986838.db2.gz SQUZZXZLEJGMGL-OAHLLOKOSA-N 0 0 322.767 3.153 20 10 DGCDRN O=C(c1ccccc1)c1ccccc1NS(=O)(=O)CCCF ZINC001189905875 1100146168 /nfs/dbraw/zinc/14/61/68/1100146168.db2.gz DVLNUNDAFWJJBQ-UHFFFAOYSA-N 0 0 321.373 3.019 20 10 DGCDRN O=C(CSc1nc2ncccc2s1)c1ccc(O)c(O)c1 ZINC001189913376 1100150176 /nfs/dbraw/zinc/15/01/76/1100150176.db2.gz ZTPMVAMTQUNAIY-UHFFFAOYSA-N 0 0 318.379 3.078 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCc2cc(CO)ccc2C1 ZINC001237617943 1100190496 /nfs/dbraw/zinc/19/04/96/1100190496.db2.gz VPCJLUDXOWAQTH-UHFFFAOYSA-N 0 0 321.779 3.235 20 10 DGCDRN O=C1CCN(Cc2cc(-c3ccc(F)cc3)ccc2O)C[C@@H]1F ZINC001237644900 1100201450 /nfs/dbraw/zinc/20/14/50/1100201450.db2.gz FIAFFJXLSRTTRE-INIZCTEOSA-N 0 0 317.335 3.311 20 10 DGCDRN OC[C@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237643690 1100201677 /nfs/dbraw/zinc/20/16/77/1100201677.db2.gz PWZRPKUOMMMDFK-ZDUSSCGKSA-N 0 0 301.361 3.013 20 10 DGCDRN COc1cc(CN2CCCC[C@H]2C(F)(F)F)c(O)c(OC)c1 ZINC001237676299 1100210875 /nfs/dbraw/zinc/21/08/75/1100210875.db2.gz NINGMVNQDQMDGW-ZDUSSCGKSA-N 0 0 319.323 3.326 20 10 DGCDRN Cc1cc(O)c(CN2CCC[C@@H]2CF)cc1Br ZINC001237686734 1100214748 /nfs/dbraw/zinc/21/47/48/1100214748.db2.gz XMEYRWHMNHSTCG-LLVKDONJSA-N 0 0 302.187 3.397 20 10 DGCDRN CC[C@H](C)[N@H+](C)Cc1cccc(I)c1[O-] ZINC001237777953 1100246217 /nfs/dbraw/zinc/24/62/17/1100246217.db2.gz QPSAPKSEUFUDBH-VIFPVBQESA-N 0 0 319.186 3.227 20 10 DGCDRN Oc1cc(Cl)c(F)cc1CN1CCC[C@H]1c1cnccn1 ZINC001237938223 1100298200 /nfs/dbraw/zinc/29/82/00/1100298200.db2.gz ZHPQFIKKALAHQK-AWEZNQCLSA-N 0 0 307.756 3.312 20 10 DGCDRN COc1ccc(N(C)C[Si](C)(C)c2ccccc2)cc1OC ZINC001190673545 1100320969 /nfs/dbraw/zinc/32/09/69/1100320969.db2.gz JRIVFUCEWWLOMH-UHFFFAOYSA-N 0 0 315.489 3.295 20 10 DGCDRN Cc1cc(F)cc(CN2[C@@H](CO)CCC[C@H]2C(F)(F)F)c1O ZINC001238057826 1100344468 /nfs/dbraw/zinc/34/44/68/1100344468.db2.gz OFJHRHKMMSDNNL-OLZOCXBDSA-N 0 0 321.314 3.117 20 10 DGCDRN Cc1cc(F)cc(CN2CC[NH+](Cc3ccccc3)CC2)c1O ZINC001238059342 1100345359 /nfs/dbraw/zinc/34/53/59/1100345359.db2.gz BZGWXQFPMSCOJI-UHFFFAOYSA-N 0 0 314.404 3.158 20 10 DGCDRN Cc1cc(F)cc(CN2CC[C@H]2N(C)C(=O)OC(C)(C)C)c1O ZINC001238068191 1100348727 /nfs/dbraw/zinc/34/87/27/1100348727.db2.gz UZVNQWIZRRIBEA-AWEZNQCLSA-N 0 0 324.396 3.238 20 10 DGCDRN Cc1ccn2cc(CN(C)Cc3cc(F)cc(C)c3O)nc2c1 ZINC001238066247 1100348998 /nfs/dbraw/zinc/34/89/98/1100348998.db2.gz KQKWRBPWKWKLNW-UHFFFAOYSA-N 0 0 313.376 3.428 20 10 DGCDRN Cc1cc(F)cc(CN2CCC[C@H]2C(=O)OC(C)(C)C)c1O ZINC001238063494 1100349144 /nfs/dbraw/zinc/34/91/44/1100349144.db2.gz XAAVOHOCOZZXRF-AWEZNQCLSA-N 0 0 309.381 3.146 20 10 DGCDRN Cc1cc(C(=O)[O-])ccc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001238145257 1100372225 /nfs/dbraw/zinc/37/22/25/1100372225.db2.gz NKHUAFQLVNGXJK-UHFFFAOYSA-N 0 0 312.413 3.391 20 10 DGCDRN Cc1cc(-c2nccn2C)c(-c2cc3ccccc3[nH]c2=O)nn1 ZINC001238879907 1100551121 /nfs/dbraw/zinc/55/11/21/1100551121.db2.gz QKPJRYRUOPRENK-UHFFFAOYSA-N 0 0 317.352 3.106 20 10 DGCDRN CCCCCCNC(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001191971326 1100556527 /nfs/dbraw/zinc/55/65/27/1100556527.db2.gz YMJYPCAVAJLHCE-UHFFFAOYSA-N 0 0 306.406 3.136 20 10 DGCDRN COc1cc(C(=O)N[C@H]2C[C@H](C)CC(C)(C)C2)cc(OC)n1 ZINC001192422095 1100614502 /nfs/dbraw/zinc/61/45/02/1100614502.db2.gz CFPBUVBAYMIJRH-AAEUAGOBSA-N 0 0 306.406 3.043 20 10 DGCDRN Cn1cc(-c2ccn(Cc3cccnc3)c(=O)c2)c2ccccc21 ZINC001239541035 1100686329 /nfs/dbraw/zinc/68/63/29/1100686329.db2.gz CQVHCTALQREILA-UHFFFAOYSA-N 0 0 315.376 3.450 20 10 DGCDRN COc1cc(C(=O)Nc2ccc(C3CCC3)nc2)cc(O)c1O ZINC001193089564 1100702491 /nfs/dbraw/zinc/70/24/91/1100702491.db2.gz QTBWJCUVFPJDEI-UHFFFAOYSA-N 0 0 314.341 3.021 20 10 DGCDRN C[C@H](NC(=O)c1csc(-c2ccc(N(C)C)cc2)n1)C1CC1 ZINC001193176194 1100710940 /nfs/dbraw/zinc/71/09/40/1100710940.db2.gz QLEIIKYUNWVBQK-NSHDSACASA-N 0 0 315.442 3.404 20 10 DGCDRN C[C@H]1CCN1C(=O)c1csc(-c2ccc(N(C)C)cc2)n1 ZINC001193163654 1100714839 /nfs/dbraw/zinc/71/48/39/1100714839.db2.gz AXAUGJWCAMXHQF-NSHDSACASA-N 0 0 301.415 3.111 20 10 DGCDRN Cc1cccc2[nH]c(NC(=O)c3ccc(O)c(O)c3Cl)nc21 ZINC001193209410 1100717645 /nfs/dbraw/zinc/71/76/45/1100717645.db2.gz JXTXWYUBBNPXFI-UHFFFAOYSA-N 0 0 317.732 3.188 20 10 DGCDRN O=C(Nc1ccc(C(F)F)cn1)c1ccc(O)c(O)c1Cl ZINC001193219582 1100718512 /nfs/dbraw/zinc/71/85/12/1100718512.db2.gz KXDPBPDMHYFRPQ-UHFFFAOYSA-N 0 0 314.675 3.336 20 10 DGCDRN O=C(c1ccc(O)c(O)c1Cl)N1CCC[C@H]1c1nccs1 ZINC001193232346 1100719698 /nfs/dbraw/zinc/71/96/98/1100719698.db2.gz INQMILLINOTBID-VIFPVBQESA-N 0 0 324.789 3.185 20 10 DGCDRN O=C(NC[C@H]1CCCC(F)(F)C1)c1ccc(O)c(O)c1Cl ZINC001193246728 1100720124 /nfs/dbraw/zinc/72/01/24/1100720124.db2.gz ARANTTLNCFBKIO-QMMMGPOBSA-N 0 0 319.735 3.307 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2ccc(O)c(O)c2Cl)c(O)c1 ZINC001193247289 1100720554 /nfs/dbraw/zinc/72/05/54/1100720554.db2.gz SPAFDIIVWBNMDI-UHFFFAOYSA-N 0 0 321.760 3.004 20 10 DGCDRN COC(=O)C1=C(C)O[C@H](CN(C)c2ccc(OC(C)C)cc2)C1 ZINC001193384763 1100737126 /nfs/dbraw/zinc/73/71/26/1100737126.db2.gz MLQSNZBFLDVENZ-INIZCTEOSA-N 0 0 319.401 3.146 20 10 DGCDRN O=C(NCc1ccc(Br)cc1O)OC1CCCC1 ZINC001193583433 1100766751 /nfs/dbraw/zinc/76/67/51/1100766751.db2.gz LIOMBBRXWCVTLJ-UHFFFAOYSA-N 0 0 314.179 3.324 20 10 DGCDRN COc1cncc(-c2ccn(Cc3ccc(F)cc3)c(=O)c2)c1 ZINC001239932133 1100803369 /nfs/dbraw/zinc/80/33/69/1100803369.db2.gz BRKZLSMYMZIBPT-UHFFFAOYSA-N 0 0 310.328 3.106 20 10 DGCDRN O=C(NCc1ccccc1O)c1ccc(O)cc1C(F)(F)F ZINC001193748750 1100805778 /nfs/dbraw/zinc/80/57/78/1100805778.db2.gz TXJRHTCSMMIZID-UHFFFAOYSA-N 0 0 311.259 3.047 20 10 DGCDRN Cc1nc2c(ccn2C)c(-c2ccc(OCC(F)(F)F)nc2)n1 ZINC001239941199 1100805991 /nfs/dbraw/zinc/80/59/91/1100805991.db2.gz JHLMPSHSJLOCNW-UHFFFAOYSA-N 0 0 322.290 3.280 20 10 DGCDRN CCOC(=O)c1cc2c(cc(C)nc2-c2cnccc2C)n1C ZINC001239971861 1100817513 /nfs/dbraw/zinc/81/75/13/1100817513.db2.gz KXZIIYVZCFQNBP-UHFFFAOYSA-N 0 0 309.369 3.429 20 10 DGCDRN Cc1cc(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)ncn1 ZINC001194054474 1100860973 /nfs/dbraw/zinc/86/09/73/1100860973.db2.gz YCIUJZSOMDEQNW-UHFFFAOYSA-N 0 0 318.380 3.214 20 10 DGCDRN CC[C@@H](C)OC(=O)NCc1cc(Br)ccc1O ZINC001195157341 1101089130 /nfs/dbraw/zinc/08/91/30/1101089130.db2.gz TXNNLGBFYJVYJD-MRVPVSSYSA-N 0 0 302.168 3.179 20 10 DGCDRN CC(C)c1cccc(S(=O)(=O)Nc2ccc(O)c(F)c2)c1 ZINC001195153774 1101087954 /nfs/dbraw/zinc/08/79/54/1101087954.db2.gz QMWRAGSMZWKQQH-UHFFFAOYSA-N 0 0 309.362 3.456 20 10 DGCDRN Cn1c(=O)cc(-c2cnn([C@@H]3CCCCO3)c2)c2ccccc21 ZINC001240682249 1101095496 /nfs/dbraw/zinc/09/54/96/1101095496.db2.gz WJRYTUBZWYRUEX-SFHVURJKSA-N 0 0 309.369 3.101 20 10 DGCDRN Cc1coc(C(=O)N[C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)n1 ZINC001195765786 1101193468 /nfs/dbraw/zinc/19/34/68/1101193468.db2.gz HMUBNKKURXFFDV-HNNXBMFYSA-N 0 0 314.385 3.359 20 10 DGCDRN COc1ccc(CNC(=S)Nc2ccc(F)cc2C)nc1 ZINC001196144298 1101256098 /nfs/dbraw/zinc/25/60/98/1101256098.db2.gz OMSSFDDQSUDXSC-UHFFFAOYSA-N 0 0 305.378 3.024 20 10 DGCDRN COC(=O)Cc1ccc(C2=CCN(c3ccccc3)CC2)cn1 ZINC001241354470 1101398163 /nfs/dbraw/zinc/39/81/63/1101398163.db2.gz BLNBBXBEWXQCHT-UHFFFAOYSA-N 0 0 308.381 3.091 20 10 DGCDRN CCOc1ccc(-c2ccc3cc(C(=O)OC)n(C)c3c2)cn1 ZINC001241704675 1101649170 /nfs/dbraw/zinc/64/91/70/1101649170.db2.gz UKQPTMGZOXTEJW-UHFFFAOYSA-N 0 0 310.353 3.426 20 10 DGCDRN COC(=O)c1cc2ccc(-c3cnc(OC)cc3C)cc2n1C ZINC001241761240 1101690953 /nfs/dbraw/zinc/69/09/53/1101690953.db2.gz KGCLIIKZJDVUIB-UHFFFAOYSA-N 0 0 310.353 3.344 20 10 DGCDRN COc1cc(C)c(-c2ccn(Cc3ccccc3)c(=O)c2)cn1 ZINC001241772869 1101697848 /nfs/dbraw/zinc/69/78/48/1101697848.db2.gz SBVHNWNFIKJKOA-UHFFFAOYSA-N 0 0 306.365 3.276 20 10 DGCDRN COC(=O)c1cc(-c2cccc3c2ccn3C)cn2ccnc12 ZINC001241822064 1101728214 /nfs/dbraw/zinc/72/82/14/1101728214.db2.gz OCMHHZKGDNRCCY-UHFFFAOYSA-N 0 0 305.337 3.280 20 10 DGCDRN Cn1ccc2c1cccc2-c1ccnn(Cc2ccccc2)c1=O ZINC001241822756 1101728463 /nfs/dbraw/zinc/72/84/63/1101728463.db2.gz DAYQONBRCVIRNM-UHFFFAOYSA-N 0 0 315.376 3.450 20 10 DGCDRN O=S(=O)(Nc1c(F)cc(O)cc1F)c1ccc(Cl)cc1 ZINC001251738915 1101764262 /nfs/dbraw/zinc/76/42/62/1101764262.db2.gz YZKRDNFKZPFAFY-UHFFFAOYSA-N 0 0 319.716 3.125 20 10 DGCDRN CC(=O)N1CC=C(c2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC001241967987 1101811961 /nfs/dbraw/zinc/81/19/61/1101811961.db2.gz AZYNXCVOCAEFHD-UHFFFAOYSA-N 0 0 312.335 3.407 20 10 DGCDRN CN(C)c1ccccc1-c1ccn(Cc2cccnc2)c(=O)c1 ZINC001242193672 1101968466 /nfs/dbraw/zinc/96/84/66/1101968466.db2.gz XEGDUUBOIDOASW-UHFFFAOYSA-N 0 0 305.381 3.025 20 10 DGCDRN O=c1cc(-c2cncc(C3CC3)c2)ccn1Cc1ccccn1 ZINC001242197345 1101970679 /nfs/dbraw/zinc/97/06/79/1101970679.db2.gz XCVRCMAZPKTNJO-UHFFFAOYSA-N 0 0 303.365 3.231 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2ccc3c(c2)CCCC3=O)c(O)c1 ZINC001198916580 1102027052 /nfs/dbraw/zinc/02/70/52/1102027052.db2.gz WRCFGCIECQDAON-UHFFFAOYSA-N 0 0 323.392 3.458 20 10 DGCDRN O=c1[nH]cc(-c2cc(N3CCc4ccccc43)ncn2)cc1F ZINC001242614699 1102241753 /nfs/dbraw/zinc/24/17/53/1102241753.db2.gz KIVOKCMVLNWJLI-UHFFFAOYSA-N 0 0 308.316 3.078 20 10 DGCDRN CCOc1cncc(-c2ccn(Cc3ccc(F)cc3)c(=O)c2)c1 ZINC001242659487 1102269609 /nfs/dbraw/zinc/26/96/09/1102269609.db2.gz MVMFOHXIQKOWKZ-UHFFFAOYSA-N 0 0 324.355 3.496 20 10 DGCDRN CC(C)Cn1ccc(-c2ccc(OC(F)(F)F)nc2)cc1=O ZINC001242780796 1102339210 /nfs/dbraw/zinc/33/92/10/1102339210.db2.gz NGIJPAHJVSUARA-UHFFFAOYSA-N 0 0 312.291 3.465 20 10 DGCDRN Cn1cncc1-c1ncnc2c1ccn2Cc1ccccc1F ZINC001243065612 1102505830 /nfs/dbraw/zinc/50/58/30/1102505830.db2.gz RJFSFEOXUYYELI-UHFFFAOYSA-N 0 0 307.332 3.019 20 10 DGCDRN COc1ccnc(CNC(=S)Nc2cc(C)cc(C)c2)c1 ZINC001201211047 1102521029 /nfs/dbraw/zinc/52/10/29/1102521029.db2.gz YUOMHPKBJBONFP-UHFFFAOYSA-N 0 0 301.415 3.194 20 10 DGCDRN Cc1cc(C)cc(NC(=S)NCc2cccc(O)c2O)c1 ZINC001201214179 1102527939 /nfs/dbraw/zinc/52/79/39/1102527939.db2.gz SWKGZFFXFBFSEU-UHFFFAOYSA-N 0 0 302.399 3.201 20 10 DGCDRN CC(C)Nc1ccc(N(c2ccc(N)cc2)S(C)(=O)=O)cc1 ZINC001201497992 1102612128 /nfs/dbraw/zinc/61/21/28/1102612128.db2.gz PLTVLRJVDIPEAH-UHFFFAOYSA-N 0 0 319.430 3.187 20 10 DGCDRN COC(=O)c1cnc(-c2cc(Cl)ccc2N)c2ccn(C)c21 ZINC001243482860 1102750384 /nfs/dbraw/zinc/75/03/84/1102750384.db2.gz VIXDYQVMRLRAHC-UHFFFAOYSA-N 0 0 315.760 3.263 20 10 DGCDRN O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCc2cccc(O)c2C1 ZINC001201935090 1102754818 /nfs/dbraw/zinc/75/48/18/1102754818.db2.gz HJHBASUGJNWTRQ-DOTOQJQBSA-N 0 0 308.381 3.016 20 10 DGCDRN O=C(Nc1ccccc1F)N1CCCc2cc(O)c(O)cc2C1 ZINC001201996379 1102793276 /nfs/dbraw/zinc/79/32/76/1102793276.db2.gz ZXDSYNAPRXUWFU-UHFFFAOYSA-N 0 0 316.332 3.217 20 10 DGCDRN Cc1nc2c(ccn2C)c(-c2ccc(Br)nc2C)n1 ZINC001243555674 1102799970 /nfs/dbraw/zinc/79/99/70/1102799970.db2.gz WFYRRDWHLDXALA-UHFFFAOYSA-N 0 0 317.190 3.410 20 10 DGCDRN CCOc1ccccc1NC(=O)NCc1cccc(C)c1O ZINC001202152524 1102880460 /nfs/dbraw/zinc/88/04/60/1102880460.db2.gz DCPIEONCSOHXCT-UHFFFAOYSA-N 0 0 300.358 3.421 20 10 DGCDRN C[C@@H]1C[C@@H](C[NH2+]Cc2cccc(Br)c2[O-])[C@H](C)O1 ZINC000686514136 1103048974 /nfs/dbraw/zinc/04/89/74/1103048974.db2.gz XMLMVTDIUWWHNG-SCVCMEIPSA-N 0 0 314.223 3.058 20 10 DGCDRN CO[C@H]1CCC[N@H+](Cc2cccc(Br)c2[O-])CC1 ZINC000692063175 1103074539 /nfs/dbraw/zinc/07/45/39/1103074539.db2.gz MAMWMFCTFCXUIN-LBPRGKRZSA-N 0 0 314.223 3.156 20 10 DGCDRN C[C@H](NC(=O)N(C)CCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC001325809167 1103129729 /nfs/dbraw/zinc/12/97/29/1103129729.db2.gz ZTRIFSUABXXBER-NSHDSACASA-N 0 0 317.355 3.407 20 10 DGCDRN CN1CCCc2cc(CNC(=O)[C@@H]3CCC[C@H](F)C3)ccc21 ZINC001325880209 1103147861 /nfs/dbraw/zinc/14/78/61/1103147861.db2.gz STLSUWCTJUTRNJ-CVEARBPZSA-N 0 0 304.409 3.214 20 10 DGCDRN Nc1cc(Cl)ccc1-c1ccn(Cc2ccncc2)c(=O)c1 ZINC001244201443 1103279095 /nfs/dbraw/zinc/27/90/95/1103279095.db2.gz BXNYOIXIRZBBAY-UHFFFAOYSA-N 0 0 311.772 3.194 20 10 DGCDRN CN(c1ccc(CNc2cc(N)ncn2)cc1)C1CCCCC1 ZINC001326515001 1103350840 /nfs/dbraw/zinc/35/08/40/1103350840.db2.gz USQZNHQXWXDCIC-UHFFFAOYSA-N 0 0 311.433 3.440 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)[C@H]1CC1(Cl)Cl ZINC001326698176 1103406278 /nfs/dbraw/zinc/40/62/78/1103406278.db2.gz JVLMFWXSMAYZHM-SCSAIBSYSA-N 0 0 306.536 3.009 20 10 DGCDRN COc1ccc(N(C)CCN(C)Cc2ncoc2C(C)C)cc1 ZINC001326707034 1103413107 /nfs/dbraw/zinc/41/31/07/1103413107.db2.gz IZQYWOVAJCZPMJ-UHFFFAOYSA-N 0 0 317.433 3.375 20 10 DGCDRN C[C@H]1CC[C@@H](CCC(=O)Nc2c3nonc3ccc2Cl)O1 ZINC001327168116 1103566750 /nfs/dbraw/zinc/56/67/50/1103566750.db2.gz XWBPZWUOKYRDAV-IUCAKERBSA-N 0 0 309.753 3.162 20 10 DGCDRN Cc1cc(C(=O)N2CC[C@@]23CCOC3)c(C)n1-c1cccc(C)c1 ZINC001327611864 1103692170 /nfs/dbraw/zinc/69/21/70/1103692170.db2.gz PFHRCWGNGWWLEA-FQEVSTJZSA-N 0 0 324.424 3.408 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC(C)(C2CC2)C2CC2)cc1F ZINC001327697235 1103709809 /nfs/dbraw/zinc/70/98/09/1103709809.db2.gz FVYQGKPVZVGBFH-UHFFFAOYSA-N 0 0 319.424 3.270 20 10 DGCDRN Cc1cc(Cl)ncc1-c1ccn(Cc2ccncc2)c(=O)c1 ZINC001244917252 1103759479 /nfs/dbraw/zinc/75/94/79/1103759479.db2.gz WPDZTCRNEWUVDS-UHFFFAOYSA-N 0 0 311.772 3.315 20 10 DGCDRN COc1cnc(F)c(-c2ccn(Cc3ccccc3)c(=O)c2)c1 ZINC001245063868 1103836025 /nfs/dbraw/zinc/83/60/25/1103836025.db2.gz WXFJNZYKATYHDI-UHFFFAOYSA-N 0 0 310.328 3.106 20 10 DGCDRN CC(=O)N1Cc2ccc(N[C@H]3CCc4cccc(O)c43)cc2C1 ZINC001328091261 1103841554 /nfs/dbraw/zinc/84/15/54/1103841554.db2.gz MVWOCQFRHDAXRE-KRWDZBQOSA-N 0 0 308.381 3.354 20 10 DGCDRN CCCOc1ccc(-c2ccn(Cc3ccccn3)c(=O)c2)cn1 ZINC001245231565 1103920554 /nfs/dbraw/zinc/92/05/54/1103920554.db2.gz PVWFBZIKFMHDSO-UHFFFAOYSA-N 0 0 321.380 3.142 20 10 DGCDRN Cn1nnc2cc(NCc3ccc(N4CCCC4)cc3)ccc21 ZINC001328386615 1103928242 /nfs/dbraw/zinc/92/82/42/1103928242.db2.gz GNJZOFGKKHZAQZ-UHFFFAOYSA-N 0 0 307.401 3.181 20 10 DGCDRN Oc1cccc(Br)c1CNc1cnn(CC2CC2)c1 ZINC001328922679 1104100694 /nfs/dbraw/zinc/10/06/94/1104100694.db2.gz OQPCJLBKSKWMRF-UHFFFAOYSA-N 0 0 322.206 3.373 20 10 DGCDRN COc1ncc(Nc2cccc(O)c2O)cc1C(F)(F)F ZINC001212801809 1104156834 /nfs/dbraw/zinc/15/68/34/1104156834.db2.gz MWOWLBPUIGYXOG-UHFFFAOYSA-N 0 0 300.236 3.264 20 10 DGCDRN COc1ccc(N2CCN(Cc3cnccc3Cl)CC2)cc1 ZINC001137230474 1104184451 /nfs/dbraw/zinc/18/44/51/1104184451.db2.gz WUUDUJWRTJNGAE-UHFFFAOYSA-N 0 0 317.820 3.066 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2noc(-c3c[nH]c(=O)[nH]3)n2)cc1 ZINC001212817035 1104222455 /nfs/dbraw/zinc/22/24/55/1104222455.db2.gz DZDBGRUKGDDCOD-UHFFFAOYSA-N 0 0 321.340 3.240 20 10 DGCDRN CCC[C@@H](C)c1cc(NC(=O)C=Cc2ccc(O)c(O)c2)n[nH]1 ZINC001329333504 1104222821 /nfs/dbraw/zinc/22/28/21/1104222821.db2.gz DMDNFJKGJYCFGK-LXSSAFMLSA-N 0 0 315.373 3.376 20 10 DGCDRN CCC[C@H](C)c1cc(NC(=O)C=Cc2ccc(O)c(O)c2)n[nH]1 ZINC001329333497 1104222985 /nfs/dbraw/zinc/22/29/85/1104222985.db2.gz DMDNFJKGJYCFGK-IOCXFXADSA-N 0 0 315.373 3.376 20 10 DGCDRN CCOc1ccc(N2CC[C@@]3(CCN(CC(C)C)C3=O)C2)cc1 ZINC001274798582 1104494942 /nfs/dbraw/zinc/49/49/42/1104494942.db2.gz LOOHZTUOVJULTE-IBGZPJMESA-N 0 0 316.445 3.170 20 10 DGCDRN CCCCN1CC[C@@]2(CCCN2c2ccc(OC)cc2)C1=O ZINC001274791985 1104498264 /nfs/dbraw/zinc/49/82/64/1104498264.db2.gz XODXXVNRKJVFCR-SFHVURJKSA-N 0 0 302.418 3.067 20 10 DGCDRN CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2c1ccc(OC)c(F)c1 ZINC001274861003 1104523972 /nfs/dbraw/zinc/52/39/72/1104523972.db2.gz DKPPGGRXYSSHNG-HZPDHXFCSA-N 0 0 320.408 3.204 20 10 DGCDRN CS[C@@H]1CCC[C@H](NC(=O)NCc2cc(C)ccc2O)C1 ZINC001330699271 1104623609 /nfs/dbraw/zinc/62/36/09/1104623609.db2.gz SWPOFTZTMLVVLA-UONOGXRCSA-N 0 0 308.447 3.174 20 10 DGCDRN Cc1nc2ccc(NCc3ccc(N4CCCC4)cc3)cn2n1 ZINC001330842001 1104660490 /nfs/dbraw/zinc/66/04/90/1104660490.db2.gz RUWNTMRVJRDFNT-UHFFFAOYSA-N 0 0 307.401 3.250 20 10 DGCDRN Fc1cccc(F)c1NC(=S)NCc1ccc(Cl)cn1 ZINC001247097563 1104799696 /nfs/dbraw/zinc/79/96/96/1104799696.db2.gz ASHRLTCBRICCDS-UHFFFAOYSA-N 0 0 313.760 3.500 20 10 DGCDRN CCOc1cccc(CNC(=S)Nc2c(F)cccc2F)n1 ZINC001247117746 1104807499 /nfs/dbraw/zinc/80/74/99/1104807499.db2.gz JRCNVMDAWRDCTL-UHFFFAOYSA-N 0 0 323.368 3.245 20 10 DGCDRN CC(C)(C)CNC(=S)NCc1ccc(N2CCCC2)cc1 ZINC001247991869 1105028522 /nfs/dbraw/zinc/02/85/22/1105028522.db2.gz XUOFRCZMVAFAMM-UHFFFAOYSA-N 0 0 305.491 3.297 20 10 DGCDRN Cc1ncc(Cl)cc1-c1noc(Cc2ccc(N)cc2)n1 ZINC001248183492 1105062766 /nfs/dbraw/zinc/06/27/66/1105062766.db2.gz ISFFACJKENTGGC-UHFFFAOYSA-N 0 0 300.749 3.266 20 10 DGCDRN O=C(NCC[C@@H]1CC[C@@H]2C[C@@H]21)NCc1cc(Cl)ccc1O ZINC001248736548 1105153175 /nfs/dbraw/zinc/15/31/75/1105153175.db2.gz IGJHCROWJLHADW-MISXGVKJSA-N 0 0 308.809 3.281 20 10 DGCDRN CC(C)(C)c1cc(O)c(CN2CC[C@@H](O)[C@@H](F)C2)cc1Cl ZINC001248881189 1105185522 /nfs/dbraw/zinc/18/55/22/1105185522.db2.gz SCUUEVDBKVKROZ-UONOGXRCSA-N 0 0 315.816 3.248 20 10 DGCDRN Oc1ccc(CCc2nc(-c3cc(F)ccc3F)no2)cc1O ZINC001248984610 1105210085 /nfs/dbraw/zinc/21/00/85/1105210085.db2.gz VMHQCWKIUKWSGD-UHFFFAOYSA-N 0 0 318.279 3.211 20 10 DGCDRN Oc1cccc(NC(=S)NCCc2ccc(Cl)cc2)c1O ZINC001249759221 1105375916 /nfs/dbraw/zinc/37/59/16/1105375916.db2.gz CKGPNZGCXJFFGI-UHFFFAOYSA-N 0 0 322.817 3.280 20 10 DGCDRN Cc1cc(CN2CCOCC2(C)C)c(O)cc1Br ZINC001250128363 1105448660 /nfs/dbraw/zinc/44/86/60/1105448660.db2.gz DATUEWAAARFMGI-UHFFFAOYSA-N 0 0 314.223 3.074 20 10 DGCDRN Cc1cccc2nc(CN3CCCc4cc(O)c(O)cc4C3)cn21 ZINC001137301637 1105474169 /nfs/dbraw/zinc/47/41/69/1105474169.db2.gz VDCMCCNHDBHNMF-UHFFFAOYSA-N 0 0 323.396 3.002 20 10 DGCDRN CCOc1ccc(N(CCO)c2ccc(N)cc2)cc1CC ZINC001250284268 1105487231 /nfs/dbraw/zinc/48/72/31/1105487231.db2.gz GEKLLUHUBDAUEM-UHFFFAOYSA-N 0 0 300.402 3.360 20 10 DGCDRN CC[C@H](C)[C@@H](O)CNC(=O)c1sccc1-n1c(C)ccc1C ZINC001137355932 1105497164 /nfs/dbraw/zinc/49/71/64/1105497164.db2.gz TXHSLEMSWXLWLA-NHYWBVRUSA-N 0 0 320.458 3.292 20 10 DGCDRN CC(=O)c1ccc2[nH]c(-c3ccc(N4CCOCC4)cc3)nc2c1 ZINC001250703040 1105563641 /nfs/dbraw/zinc/56/36/41/1105563641.db2.gz YOFXMCOZVUMVPI-UHFFFAOYSA-N 0 0 321.380 3.269 20 10 DGCDRN COc1ccc2nc(-c3cc(O)c(O)cc3O)n(C3CC3)c2c1 ZINC001251355256 1105652809 /nfs/dbraw/zinc/65/28/09/1105652809.db2.gz ARBSQQZBQXMMQC-UHFFFAOYSA-N 0 0 312.325 3.164 20 10 DGCDRN COc1ccc(-c2nnc(/C=C/c3ccc(O)c(O)c3)o2)cc1 ZINC001251973261 1105716768 /nfs/dbraw/zinc/71/67/68/1105716768.db2.gz KDSKXWWOVQJVIA-YCRREMRBSA-N 0 0 310.309 3.327 20 10 DGCDRN C[C@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccc(F)cc1F ZINC001252113625 1105742735 /nfs/dbraw/zinc/74/27/35/1105742735.db2.gz MTDZFRICJFIOMS-LBPRGKRZSA-N 0 0 318.367 3.451 20 10 DGCDRN CCC[C@@H](O)CNc1ccccc1C(=O)c1ccc(OC)cc1 ZINC001252797887 1105833809 /nfs/dbraw/zinc/83/38/09/1105833809.db2.gz WGEYIVFYFSDRNY-OAHLLOKOSA-N 0 0 313.397 3.499 20 10 DGCDRN CCc1ccc(-c2nnc([C@@H](O)c3ccc(N(C)C)cc3)o2)cc1 ZINC001252992973 1105869047 /nfs/dbraw/zinc/86/90/47/1105869047.db2.gz YXKPODJECLLKTN-KRWDZBQOSA-N 0 0 323.396 3.447 20 10 DGCDRN CCCC[C@@H](CC)COC[C@H](O)CNc1cccc(O)c1O ZINC001253017931 1105877475 /nfs/dbraw/zinc/87/74/75/1105877475.db2.gz ZEXKYAPBXVXUKN-ZIAGYGMSSA-N 0 0 311.422 3.104 20 10 DGCDRN Cc1cc(NS(=O)(=O)/C=C/c2ccccc2)c(C)cc1O ZINC001253033001 1105880273 /nfs/dbraw/zinc/88/02/73/1105880273.db2.gz XMPZRIBBDLWSEJ-CMDGGOBGSA-N 0 0 303.383 3.422 20 10 DGCDRN COc1ccccc1NC[C@H](O)CCOCc1ccccc1 ZINC001253257491 1105914493 /nfs/dbraw/zinc/91/44/93/1105914493.db2.gz WTWUZGXFKHNFDS-MRXNPFEDSA-N 0 0 301.386 3.075 20 10 DGCDRN Cc1cccc(-c2nnc([C@H](O)c3ccc(N(C)C)cc3)o2)c1 ZINC001253673971 1105969135 /nfs/dbraw/zinc/96/91/35/1105969135.db2.gz SHDVOKOLBBJRTP-MRXNPFEDSA-N 0 0 309.369 3.193 20 10 DGCDRN CCCS(=O)(=O)Nc1cccc2c1C(=O)c1ccccc1-2 ZINC001253705319 1105972123 /nfs/dbraw/zinc/97/21/23/1105972123.db2.gz RKEBVQLPCRYLSW-UHFFFAOYSA-N 0 0 301.367 3.050 20 10 DGCDRN Nc1ccc(CCn2cc(-c3cc(F)cc(F)c3)nn2)cc1 ZINC001254081346 1106015727 /nfs/dbraw/zinc/01/57/27/1106015727.db2.gz SBRJHMHTHMWQKE-UHFFFAOYSA-N 0 0 300.312 3.048 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H](CF)c2ccc(F)cc2)c1 ZINC001254461948 1106076445 /nfs/dbraw/zinc/07/64/45/1106076445.db2.gz KLZBVHJFLWTBEW-HNNXBMFYSA-N 0 0 320.339 3.350 20 10 DGCDRN Oc1ccc(Cc2nnc([C@@H]3C[C@@H]3c3ccccc3)o2)cc1O ZINC001254568149 1106105750 /nfs/dbraw/zinc/10/57/50/1106105750.db2.gz MSPLXNODQHFGFE-ZIAGYGMSSA-N 0 0 308.337 3.343 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)cc1 ZINC001254781059 1106140907 /nfs/dbraw/zinc/14/09/07/1106140907.db2.gz PUKJONVXJCFXGH-RYQLBKOJSA-N 0 0 315.461 3.473 20 10 DGCDRN CCc1ccc(S(=O)(=O)Nc2cc(F)c(O)cc2F)cc1 ZINC001255081216 1106174951 /nfs/dbraw/zinc/17/49/51/1106174951.db2.gz PIAHGUSKFLVTNL-UHFFFAOYSA-N 0 0 313.325 3.034 20 10 DGCDRN CCc1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2C)cc1 ZINC001255081094 1106175173 /nfs/dbraw/zinc/17/51/73/1106175173.db2.gz LPMOVHCBASWTAZ-UHFFFAOYSA-N 0 0 305.399 3.372 20 10 DGCDRN COC[C@@H](C)n1ccc(NCc2ccc(N3CCCC3)cc2)n1 ZINC001255272794 1106213480 /nfs/dbraw/zinc/21/34/80/1106213480.db2.gz LCEWAZTXOGNQTO-OAHLLOKOSA-N 0 0 314.433 3.303 20 10 DGCDRN Cc1cc(Cl)ccc1-c1nnc(-c2cc(O)c(O)c(O)c2)o1 ZINC001255273425 1106213579 /nfs/dbraw/zinc/21/35/79/1106213579.db2.gz QNAZFMNZZSXBPC-UHFFFAOYSA-N 0 0 318.716 3.482 20 10 DGCDRN CC1(C)OC(=O)C[C@H]1c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256965890 1106517498 /nfs/dbraw/zinc/51/74/98/1106517498.db2.gz MQJJCUBIILIBQN-AWEZNQCLSA-N 0 0 323.352 3.336 20 10 DGCDRN CC(C)OC(=O)Cc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256969674 1106518176 /nfs/dbraw/zinc/51/81/76/1106518176.db2.gz DENWUDZUABDMCL-UHFFFAOYSA-N 0 0 311.341 3.021 20 10 DGCDRN N#[N+][N-]S(=O)(=O)c1ccc(-c2nnc(C3CCCC3)o2)cc1 ZINC001257593415 1106610722 /nfs/dbraw/zinc/61/07/22/1106610722.db2.gz YMPABWLXCHAQHZ-UHFFFAOYSA-N 0 0 319.346 3.393 20 10 DGCDRN Oc1cc(-c2nnc(-c3ccc4c(c3)CCC4)o2)cc(O)c1O ZINC001258175483 1106687769 /nfs/dbraw/zinc/68/77/69/1106687769.db2.gz WGDJDYPFSDBEFH-UHFFFAOYSA-N 0 0 310.309 3.009 20 10 DGCDRN COc1ccc2[nH]c(C)c(C(=O)N(C)Cc3ccccc3O)c2c1 ZINC001320011483 1106784418 /nfs/dbraw/zinc/78/44/18/1106784418.db2.gz BCVDFIAQOZOVIG-UHFFFAOYSA-N 0 0 324.380 3.463 20 10 DGCDRN COc1cc(Cl)ccc1OC(=O)c1ccc(C)c(O)c1O ZINC001299516219 1106832896 /nfs/dbraw/zinc/83/28/96/1106832896.db2.gz NUKAKIDADRFHAJ-UHFFFAOYSA-N 0 0 308.717 3.287 20 10 DGCDRN C[C@H](NC(=O)c1c2ccccc2nn1C)c1ccc(N(C)C)cc1 ZINC001320404386 1106994879 /nfs/dbraw/zinc/99/48/79/1106994879.db2.gz ZJZSMYNBWFSQPH-ZDUSSCGKSA-N 0 0 322.412 3.130 20 10 DGCDRN CCOc1ccc(O)c(CN2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001320509405 1107033746 /nfs/dbraw/zinc/03/37/46/1107033746.db2.gz PSMDWLYBIJDIFV-UHFFFAOYSA-N 0 0 314.341 3.215 20 10 DGCDRN Cc1ccc(S(=O)(=O)Nc2cc(F)c(O)c(F)c2)c(C)c1 ZINC001259100728 1107078553 /nfs/dbraw/zinc/07/85/53/1107078553.db2.gz KNMZFYMJGUPIOG-UHFFFAOYSA-N 0 0 313.325 3.088 20 10 DGCDRN Cc1ccc(S(=O)(=O)Nc2cc(F)c(O)cc2F)cc1C ZINC001259167727 1107091358 /nfs/dbraw/zinc/09/13/58/1107091358.db2.gz GIVIHUJRUHLHSE-UHFFFAOYSA-N 0 0 313.325 3.088 20 10 DGCDRN CCN(Cc1ccccc1O)S(=O)(=O)Cc1ccc(C)cc1 ZINC001259263420 1107109445 /nfs/dbraw/zinc/10/94/45/1107109445.db2.gz OIJWORPQCAKARG-UHFFFAOYSA-N 0 0 319.426 3.053 20 10 DGCDRN CCOC(=O)[C@@H](NCc1ccc(N2CCCCC2)cc1)C1CC1 ZINC001320793821 1107139937 /nfs/dbraw/zinc/13/99/37/1107139937.db2.gz YUECWSLWVRKALS-SFHVURJKSA-N 0 0 316.445 3.108 20 10 DGCDRN O=S(=O)(Nc1ccc(O)cc1C(F)(F)F)C1CCCC1 ZINC001259801778 1107202665 /nfs/dbraw/zinc/20/26/65/1107202665.db2.gz NKTVBZKWYGLPCM-UHFFFAOYSA-N 0 0 309.309 3.095 20 10 DGCDRN COCCONC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl ZINC001321143934 1107263533 /nfs/dbraw/zinc/26/35/33/1107263533.db2.gz ORDGCGAPRGAZGM-UHFFFAOYSA-N 0 0 322.792 3.055 20 10 DGCDRN Cc1cccc(S(=O)(=O)N[C@H](C)c2ccccc2O)c1C ZINC001261001265 1107342428 /nfs/dbraw/zinc/34/24/28/1107342428.db2.gz FBCZTNVDOBNVMX-CYBMUJFWSA-N 0 0 305.399 3.049 20 10 DGCDRN C[C@H](NC(=O)c1cccc(O)c1O)c1ccc(Cl)c(F)c1 ZINC001321451047 1107351806 /nfs/dbraw/zinc/35/18/06/1107351806.db2.gz VPHQSQNEMXLUIG-QMMMGPOBSA-N 0 0 309.724 3.381 20 10 DGCDRN COCc1nc(CNCc2ccc(N3CCCC3)cc2)cs1 ZINC001261201273 1107359279 /nfs/dbraw/zinc/35/92/79/1107359279.db2.gz XANLEJJOXZBIRU-UHFFFAOYSA-N 0 0 317.458 3.180 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCC1=CCOCC1 ZINC001261266568 1107384069 /nfs/dbraw/zinc/38/40/69/1107384069.db2.gz LRUXKUVOEFRAIO-UHFFFAOYSA-N 0 0 316.426 3.232 20 10 DGCDRN COc1ccc(C[C@@H](C)N(C)C(=O)Nc2ccc(N)cc2)cc1 ZINC001261371823 1107420471 /nfs/dbraw/zinc/42/04/71/1107420471.db2.gz ARGYDHMZGGZTQS-CYBMUJFWSA-N 0 0 313.401 3.372 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N[C@H]3CCC[C@H](F)C3)ccc21 ZINC001261452200 1107438005 /nfs/dbraw/zinc/43/80/05/1107438005.db2.gz WLYYYPOSFRGUOE-HOTGVXAUSA-N 0 0 319.424 3.149 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H](C)c2ccccc2O)c(C)c1 ZINC001261876445 1107550614 /nfs/dbraw/zinc/55/06/14/1107550614.db2.gz IECZNXPDHSQYRQ-ZDUSSCGKSA-N 0 0 314.385 3.270 20 10 DGCDRN CC(C)[C@@H]1C[C@@H](C(=O)Nc2c3nonc3ccc2Cl)CCO1 ZINC001262487839 1107718248 /nfs/dbraw/zinc/71/82/48/1107718248.db2.gz HPZYWBDWAUDWGW-CABZTGNLSA-N 0 0 323.780 3.266 20 10 DGCDRN CC1(C)CN(C(=O)NCc2ccc(N)cc2)CCc2ccccc21 ZINC001262603746 1107735729 /nfs/dbraw/zinc/73/57/29/1107735729.db2.gz UBPWIIVCMUPBNW-UHFFFAOYSA-N 0 0 323.440 3.314 20 10 DGCDRN COCc1cc(NCc2ccccc2O)nc(C(C)(C)C)n1 ZINC001322909874 1107778290 /nfs/dbraw/zinc/77/82/90/1107778290.db2.gz IEZGYLAWMGFWNF-UHFFFAOYSA-N 0 0 301.390 3.238 20 10 DGCDRN COC(=O)c1ccnc(Sc2ncc(C(C)(C)C)s2)n1 ZINC001262686570 1107780167 /nfs/dbraw/zinc/78/01/67/1107780167.db2.gz NOYQWQNMHIIRMZ-UHFFFAOYSA-N 0 0 309.416 3.168 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1CC[C@](C)(CC)C1 ZINC001263011275 1107904904 /nfs/dbraw/zinc/90/49/04/1107904904.db2.gz WVASQCGRDBJZOR-HNNXBMFYSA-N 0 0 306.435 3.359 20 10 DGCDRN CCN1C(=O)C(=Cc2nc(-c3ccccc3)c[nH]2)SC1=S ZINC001318395580 1107980461 /nfs/dbraw/zinc/98/04/61/1107980461.db2.gz TYPAGHYBXMUTOB-WQLSENKSSA-N 0 0 315.423 3.298 20 10 DGCDRN O=C(NCc1ccccc1O)NC[C@@H]1C[C@@H]1Cc1ccccc1 ZINC001263285458 1107997791 /nfs/dbraw/zinc/99/77/91/1107997791.db2.gz HMQKXPVBHDBNGW-IRXDYDNUSA-N 0 0 310.397 3.070 20 10 DGCDRN CC(C)(C)OCCCC(=O)Nc1c2nonc2ccc1Cl ZINC001323708603 1108061369 /nfs/dbraw/zinc/06/13/69/1108061369.db2.gz ZEKLGPPIOANZFF-UHFFFAOYSA-N 0 0 311.769 3.410 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)OC1CCCCC1 ZINC001318575895 1108105504 /nfs/dbraw/zinc/10/55/04/1108105504.db2.gz CHNQOWAYEFALGV-HNNXBMFYSA-N 0 0 318.461 3.415 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(Cl)[nH]1 ZINC001263714737 1108169921 /nfs/dbraw/zinc/16/99/21/1108169921.db2.gz WNOZTJDEMPTIQT-UHFFFAOYSA-N 0 0 305.809 3.396 20 10 DGCDRN CC[C@H]1C[C@@H](C(=O)Nc2c3nonc3ccc2Cl)CCO1 ZINC001324140011 1108187559 /nfs/dbraw/zinc/18/75/59/1108187559.db2.gz DRKCFNHRKPRTOW-IUCAKERBSA-N 0 0 309.753 3.020 20 10 DGCDRN CC[C@@H]1C[C@H](C(=O)Nc2c3nonc3ccc2Cl)CCO1 ZINC001324140015 1108187857 /nfs/dbraw/zinc/18/78/57/1108187857.db2.gz DRKCFNHRKPRTOW-RKDXNWHRSA-N 0 0 309.753 3.020 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)CC2(C(F)(F)F)CC2)c1 ZINC001324315312 1108247092 /nfs/dbraw/zinc/24/70/92/1108247092.db2.gz CCTYIBHIQJRUBQ-SECBINFHSA-N 0 0 317.307 3.311 20 10 DGCDRN Cc1cccc(F)c1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001319050670 1108293315 /nfs/dbraw/zinc/29/33/15/1108293315.db2.gz MHNFIMOXUJEYLD-UHFFFAOYSA-N 0 0 304.340 3.269 20 10 DGCDRN CS[C@@H]1CC[C@@H](N(C)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC001319082098 1108307813 /nfs/dbraw/zinc/30/78/13/1108307813.db2.gz NKLXTTXZPMTQKP-HZPDHXFCSA-N 0 0 321.490 3.178 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H](C)CCO)c1 ZINC001319341469 1108421190 /nfs/dbraw/zinc/42/11/90/1108421190.db2.gz OQCSUWDYRLHTFZ-LLVKDONJSA-N 0 0 320.820 3.248 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc3c(c2)OC(C)(C)C3)cc1 ZINC001264261618 1108450293 /nfs/dbraw/zinc/45/02/93/1108450293.db2.gz AHAHUPOQAIXMKR-UHFFFAOYSA-N 0 0 324.424 3.396 20 10 DGCDRN COC1(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCCC1 ZINC001264286965 1108455820 /nfs/dbraw/zinc/45/58/20/1108455820.db2.gz FFJJKHUHRJYGAV-UHFFFAOYSA-N 0 0 316.445 3.204 20 10 DGCDRN Cc1ccc(C2=N/C(=C/c3ccc4c(c3)CCN4C)C(=O)O2)s1 ZINC001319507691 1108498120 /nfs/dbraw/zinc/49/81/20/1108498120.db2.gz AMZPJDFSEPEGPT-GXDHUFHOSA-N 0 0 324.405 3.393 20 10 DGCDRN CCc1cccnc1C(=O)Nc1c2nonc2ccc1Cl ZINC001325346378 1108627962 /nfs/dbraw/zinc/62/79/62/1108627962.db2.gz URSCOVBHDCCOGC-UHFFFAOYSA-N 0 0 302.721 3.086 20 10 DGCDRN CC(C)(NC(=O)NCCc1ccc(N)cc1)C1CCCCC1 ZINC001325373047 1108636743 /nfs/dbraw/zinc/63/67/43/1108636743.db2.gz SOBXNZCSQUFCNW-UHFFFAOYSA-N 0 0 303.450 3.469 20 10 DGCDRN C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)n1cccc1 ZINC001319829874 1108655150 /nfs/dbraw/zinc/65/51/50/1108655150.db2.gz GRJMNTYWSHNCQQ-HNNXBMFYSA-N 0 0 311.429 3.306 20 10 DGCDRN CCn1cc(Cl)cc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001264827713 1108664005 /nfs/dbraw/zinc/66/40/05/1108664005.db2.gz MSELCRSFVZBTFD-UHFFFAOYSA-N 0 0 323.799 3.297 20 10 DGCDRN CCOC1(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCC1 ZINC001290375227 1110243541 /nfs/dbraw/zinc/24/35/41/1110243541.db2.gz WKIIQXFRWBBAJY-UHFFFAOYSA-N 0 0 316.445 3.204 20 10 DGCDRN Cc1c(C(=O)NCc2cc(C)ccc2O)cnn1-c1ccccc1 ZINC001301041130 1111079754 /nfs/dbraw/zinc/07/97/54/1111079754.db2.gz IMIDQMBCFHRKIL-UHFFFAOYSA-N 0 0 321.380 3.125 20 10 DGCDRN COc1cccc(SCC(=O)N[C@H](C)c2ccccc2O)c1 ZINC001302530224 1111117328 /nfs/dbraw/zinc/11/73/28/1111117328.db2.gz GNZTZAPUXDSSRE-GFCCVEGCSA-N 0 0 317.410 3.370 20 10 DGCDRN Cc1cc(Cl)cc(C(=O)N[C@H](C)c2ccccc2O)c1N ZINC001302532929 1111117438 /nfs/dbraw/zinc/11/74/38/1111117438.db2.gz VDPXOVCIPMOCLW-SNVBAGLBSA-N 0 0 304.777 3.427 20 10 DGCDRN C[C@H](NC(=O)Cc1cncc2ccccc21)c1ccccc1O ZINC001302538003 1111117483 /nfs/dbraw/zinc/11/74/83/1111117483.db2.gz CRACQKZVHOAHDQ-ZDUSSCGKSA-N 0 0 306.365 3.360 20 10 DGCDRN Cc1c2cccc(C)c2oc1C(=O)NCc1cc(O)ccc1O ZINC001303223374 1111137145 /nfs/dbraw/zinc/13/71/45/1111137145.db2.gz MVUBRAMZYGPXEG-UHFFFAOYSA-N 0 0 311.337 3.391 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1cc2cc(Cl)ccc2[nH]1 ZINC001303223496 1111137393 /nfs/dbraw/zinc/13/73/93/1111137393.db2.gz RTGVXTDVMQWDSO-UHFFFAOYSA-N 0 0 316.744 3.163 20 10 DGCDRN Cc1c2cccc(C)c2oc1C(=O)NCc1c(O)cccc1O ZINC001304051561 1111163675 /nfs/dbraw/zinc/16/36/75/1111163675.db2.gz WWJRDIWHBKEYDS-UHFFFAOYSA-N 0 0 311.337 3.391 20 10 DGCDRN C[C@H](CC(=O)NCc1c(O)cccc1O)c1ccc(F)cc1F ZINC001304053410 1111163826 /nfs/dbraw/zinc/16/38/26/1111163826.db2.gz KMGHBKHHCIBMRJ-SNVBAGLBSA-N 0 0 321.323 3.186 20 10 DGCDRN CCn1cc(C(=O)NCc2c(O)ccc3ccccc32)c(C)n1 ZINC001304090733 1111165940 /nfs/dbraw/zinc/16/59/40/1111165940.db2.gz PNVSYGSJHPRJCL-UHFFFAOYSA-N 0 0 309.369 3.000 20 10 DGCDRN COC(=O)c1cnc(Sc2cc(C)sc2[N+](=O)[O-])s1 ZINC001307127870 1111269035 /nfs/dbraw/zinc/26/90/35/1111269035.db2.gz RVGBZWMRTMSDNS-UHFFFAOYSA-N 0 0 316.385 3.359 20 10 DGCDRN Oc1cccc(O)c1CNc1ncnc2cc(Cl)ccc21 ZINC001307218524 1111280485 /nfs/dbraw/zinc/28/04/85/1111280485.db2.gz KPMZJURLEXFRQF-UHFFFAOYSA-N 0 0 301.733 3.307 20 10 DGCDRN COC(=O)c1cnc(S[C@H](C)C(=O)c2ccccc2)s1 ZINC001307348309 1111291223 /nfs/dbraw/zinc/29/12/23/1111291223.db2.gz NRNSOKBECXJCOY-SECBINFHSA-N 0 0 307.396 3.293 20 10 DGCDRN CCN(C)c1ccc(CN[C@@H](c2nc(C)no2)C(C)C)cc1 ZINC001308176843 1111391234 /nfs/dbraw/zinc/39/12/34/1111391234.db2.gz DPBKDJMYFGLSHV-MRXNPFEDSA-N 0 0 302.422 3.321 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2CSCc3ccccc32)c1 ZINC001308259045 1111406111 /nfs/dbraw/zinc/40/61/11/1111406111.db2.gz KCCWSUUNHZHERQ-HNNXBMFYSA-N 0 0 316.382 3.378 20 10 DGCDRN COC(=O)c1cc(NCc2c(C)cc(OC)cc2O)ccc1C ZINC001308654879 1111456610 /nfs/dbraw/zinc/45/66/10/1111456610.db2.gz AHDIPTZUARMDSI-UHFFFAOYSA-N 0 0 315.369 3.416 20 10 DGCDRN COC(=O)[C@H](CC1CCCCC1)NCc1ccc(C)cc1O ZINC001308690107 1111461234 /nfs/dbraw/zinc/46/12/34/1111461234.db2.gz OEUBITDTXIEEMU-INIZCTEOSA-N 0 0 305.418 3.302 20 10 DGCDRN COC(=O)[C@@H](CC1CCCCC1)NCc1ccc(C)cc1O ZINC001308690108 1111461321 /nfs/dbraw/zinc/46/13/21/1111461321.db2.gz OEUBITDTXIEEMU-MRXNPFEDSA-N 0 0 305.418 3.302 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(F)c(F)cc1[O-])[C@@H](c1ccccc1)N(C)C ZINC001308706681 1111463842 /nfs/dbraw/zinc/46/38/42/1111463842.db2.gz NANMGASIJKONGF-SGTLLEGYSA-N 0 0 320.383 3.451 20 10 DGCDRN Oc1cc(F)c(F)cc1CN1CCC2(C1)Oc1ccccc1O2 ZINC001308801138 1111477231 /nfs/dbraw/zinc/47/72/31/1111477231.db2.gz HBDAJSVINLWUMY-UHFFFAOYSA-N 0 0 319.307 3.044 20 10 DGCDRN CCCn1cc(CN(C)c2ccc(OC)c(OC)c2)c(C)n1 ZINC001308840631 1111482319 /nfs/dbraw/zinc/48/23/19/1111482319.db2.gz LDIHWHJCYFEWCP-UHFFFAOYSA-N 0 0 303.406 3.255 20 10 DGCDRN COC[C@@H](C)OC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC001309026004 1111509245 /nfs/dbraw/zinc/50/92/45/1111509245.db2.gz YSWPFRVWIJBFOI-OAHLLOKOSA-N 0 0 320.433 3.280 20 10 DGCDRN Cc1nc(C)c(NC(=O)NCc2cccc(Cl)c2O)s1 ZINC001310383038 1111557858 /nfs/dbraw/zinc/55/78/58/1111557858.db2.gz OIBGDIASUZYYGW-UHFFFAOYSA-N 0 0 311.794 3.441 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)Nc1ccc2c(c1)COC2 ZINC001310437271 1111560048 /nfs/dbraw/zinc/56/00/48/1111560048.db2.gz DMZFSCLSRNNDDS-UHFFFAOYSA-N 0 0 318.760 3.398 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Nc1cccc2c(=O)[nH]ccc12 ZINC001310741624 1111569848 /nfs/dbraw/zinc/56/98/48/1111569848.db2.gz NZWIOXWWMBNNDB-UHFFFAOYSA-N 0 0 323.352 3.310 20 10 DGCDRN C=Cc1ccccc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC001311110752 1111584324 /nfs/dbraw/zinc/58/43/24/1111584324.db2.gz IQGVHBNSBVFAOO-LBPRGKRZSA-N 0 0 312.369 3.494 20 10 DGCDRN Cc1ccc([C@@H]2C[C@H]2NC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC001311545332 1111607154 /nfs/dbraw/zinc/60/71/54/1111607154.db2.gz LQRCJBKAHZHCMN-RBUKOAKNSA-N 0 0 323.440 3.416 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCC[C@@H]1C[C@H]1C1CC1 ZINC001311944912 1111627820 /nfs/dbraw/zinc/62/78/20/1111627820.db2.gz PIBWCRRNHKOHNH-QAPCUYQASA-N 0 0 315.461 3.296 20 10 DGCDRN CC(=O)c1cccc(CNC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001312950586 1111683735 /nfs/dbraw/zinc/68/37/35/1111683735.db2.gz VUZUJYIQWKNEBM-LBPRGKRZSA-N 0 0 312.369 3.155 20 10 DGCDRN O=C(NCc1c(O)cccc1F)NCC1CCC2(CC2)CC1 ZINC001313095341 1111694245 /nfs/dbraw/zinc/69/42/45/1111694245.db2.gz WGGQXGINAATYJB-UHFFFAOYSA-N 0 0 306.381 3.301 20 10 DGCDRN CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185512083 295665689 /nfs/dbraw/zinc/66/56/89/295665689.db2.gz JVHXTRLAOKJKGO-VHSKPIJISA-N 0 0 324.273 3.462 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc(O)cc1 ZINC000096968820 185394396 /nfs/dbraw/zinc/39/43/96/185394396.db2.gz ICOHALXDLHZJOI-UHFFFAOYSA-N 0 0 312.413 3.049 20 10 DGCDRN Cc1cncc(/C=C/C(=O)N(C[C@@H]2CCCO2)c2ccncc2)c1 ZINC000130011513 432013315 /nfs/dbraw/zinc/01/33/15/432013315.db2.gz UZRZEIUSPJHLIF-WRFKIARRSA-N 0 0 323.396 3.010 20 10 DGCDRN CCCCOc1ccc(C(=O)NCCc2ccc(N)cc2)cc1 ZINC000236672987 201959684 /nfs/dbraw/zinc/95/96/84/201959684.db2.gz UFNURBXWLCGRTL-UHFFFAOYSA-N 0 0 312.413 3.420 20 10 DGCDRN Cc1cc(C(=O)Nc2c(C)c(C)nn2C)c(C)n1-c1ccccn1 ZINC000106853272 432022606 /nfs/dbraw/zinc/02/26/06/432022606.db2.gz FMIUWBMCRJYIGK-UHFFFAOYSA-N 0 0 323.400 3.092 20 10 DGCDRN CC(C)SCCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000287497120 535108151 /nfs/dbraw/zinc/10/81/51/535108151.db2.gz VPLLWRFHIGFHSZ-UHFFFAOYSA-N 0 0 309.479 3.036 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[N@H+](C)C[C@H]2CCCOC2)c1[O-] ZINC000107064807 432027633 /nfs/dbraw/zinc/02/76/33/432027633.db2.gz URTTYHHUVAMPAG-GFCCVEGCSA-N 0 0 311.809 3.107 20 10 DGCDRN C[C@H](CCOc1ccccc1)C(=O)N(C)Cc1ccccc1O ZINC000072700978 191216927 /nfs/dbraw/zinc/21/69/27/191216927.db2.gz CDPNQKIBEFFKCX-OAHLLOKOSA-N 0 0 313.397 3.456 20 10 DGCDRN CC[C@H](c1ccncc1)N(CC)C(=O)c1ccc(C)c(O)c1O ZINC000179512484 432060686 /nfs/dbraw/zinc/06/06/86/432060686.db2.gz HVPNLGVSPKQRCT-OAHLLOKOSA-N 0 0 314.385 3.415 20 10 DGCDRN C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1[O-] ZINC000187700178 299301293 /nfs/dbraw/zinc/30/12/93/299301293.db2.gz NSOTXMGQQLMIHF-JTQLQIEISA-N 0 0 322.311 3.472 20 10 DGCDRN COCCN(Cc1nc(C)cs1)c1ccc(OC)c(OC)c1 ZINC000268657429 432116814 /nfs/dbraw/zinc/11/68/14/432116814.db2.gz LDERDNKTOQFMGM-UHFFFAOYSA-N 0 0 322.430 3.122 20 10 DGCDRN C[C@@H]([NH2+]CCn1ccnc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000184868884 296127172 /nfs/dbraw/zinc/12/71/72/296127172.db2.gz SSMQDKUGRFAPSW-SECBINFHSA-N 0 0 300.189 3.246 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cc1ccccc1F ZINC000471224398 244209208 /nfs/dbraw/zinc/20/92/08/244209208.db2.gz OJTCLXNDENRIPE-UHFFFAOYSA-N 0 0 310.372 3.485 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCSC[C@@H]1C ZINC000472236887 244290814 /nfs/dbraw/zinc/29/08/14/244290814.db2.gz CEDBEDDSNVFXOP-LBPRGKRZSA-N 0 0 317.458 3.134 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000472234991 244290974 /nfs/dbraw/zinc/29/09/74/244290974.db2.gz ZLMSCPLYZKZALX-GASCZTMLSA-N 0 0 311.429 3.428 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCSC[C@H]1C ZINC000472236882 244291632 /nfs/dbraw/zinc/29/16/32/244291632.db2.gz CEDBEDDSNVFXOP-GFCCVEGCSA-N 0 0 317.458 3.134 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCc2c1cccc2O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273469110 296157169 /nfs/dbraw/zinc/15/71/69/296157169.db2.gz FGJVEUUEOGMTHC-MEBBXXQBSA-N 0 0 314.341 3.344 20 10 DGCDRN COc1ccsc1/C=C1\SC(N2CCCCC2)=NC1=O ZINC000268717483 432125272 /nfs/dbraw/zinc/12/52/72/432125272.db2.gz GWINBKXACXWGHB-XFXZXTDPSA-N 0 0 308.428 3.213 20 10 DGCDRN CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000189410821 284325092 /nfs/dbraw/zinc/32/50/92/284325092.db2.gz LCSPVNVMRFMKGY-BDAKNGLRSA-N 0 0 319.232 3.216 20 10 DGCDRN CCn1cc(-c2n[nH]cc2C(=O)N2C[C@H](C)c3ccccc32)cn1 ZINC000495013876 246225062 /nfs/dbraw/zinc/22/50/62/246225062.db2.gz AFTQOGIPGQJWKS-LBPRGKRZSA-N 0 0 321.384 3.057 20 10 DGCDRN CCC[C@H](C(=O)NCCc1ccc(O)c(O)c1)c1ccccc1 ZINC000098074608 193782940 /nfs/dbraw/zinc/78/29/40/193782940.db2.gz WCYVGXAPGBSJBI-INIZCTEOSA-N 0 0 313.397 3.340 20 10 DGCDRN COc1ccc([C@@H]2CCCN2C(=O)Cc2ccc(N)cc2)cc1 ZINC000237289199 533139520 /nfs/dbraw/zinc/13/95/20/533139520.db2.gz QVQPCMFXYKPXAM-SFHVURJKSA-N 0 0 310.397 3.184 20 10 DGCDRN COc1cccc(CNC(=O)NC[C@@H]2CCCC2(C)C)c1O ZINC000297457029 533497356 /nfs/dbraw/zinc/49/73/56/533497356.db2.gz KILRDLGVBOYNBO-ZDUSSCGKSA-N 0 0 306.406 3.026 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC2(CCCC2)CC1 ZINC000272366378 130024395 /nfs/dbraw/zinc/02/43/95/130024395.db2.gz CRYXTNWOTLKUPF-GQCTYLIASA-N 0 0 301.386 3.294 20 10 DGCDRN C[N@@H+]1CC[C@H]2CCN(Cc3cc(Cl)cc(Cl)c3[O-])[C@H]2C1 ZINC000272589075 130044193 /nfs/dbraw/zinc/04/41/93/130044193.db2.gz HQLLOZACRFTKTM-HZMBPMFUSA-N 0 0 315.244 3.225 20 10 DGCDRN C[C@H](Nc1ccc(CS(C)(=O)=O)cc1)c1ccccc1O ZINC000272874285 130071068 /nfs/dbraw/zinc/07/10/68/130071068.db2.gz PKWAPZYIANDPDX-LBPRGKRZSA-N 0 0 305.399 3.110 20 10 DGCDRN Cc1ccc(O)c([C@H](C)Nc2ccc(CS(C)(=O)=O)cc2)c1 ZINC000273513176 130131057 /nfs/dbraw/zinc/13/10/57/130131057.db2.gz SEAUXRPXSYDSMA-ZDUSSCGKSA-N 0 0 319.426 3.418 20 10 DGCDRN C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273552659 130134645 /nfs/dbraw/zinc/13/46/45/130134645.db2.gz GFPUKLYTUZCTDY-RYUDHWBXSA-N 0 0 316.357 3.288 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273552655 130135061 /nfs/dbraw/zinc/13/50/61/130135061.db2.gz GFPUKLYTUZCTDY-NWDGAFQWSA-N 0 0 316.357 3.288 20 10 DGCDRN CCCC[C@H](NCc1ccc(OC)c(COCC)c1)C(=O)OC ZINC000274847600 130267380 /nfs/dbraw/zinc/26/73/80/130267380.db2.gz AMFVJXNKPOBFPG-INIZCTEOSA-N 0 0 323.433 3.053 20 10 DGCDRN C[C@@H]1C(=O)CC[C@@H](C(=O)NCc2ccc(N(C)C)cc2)C1(C)C ZINC000275565360 130338794 /nfs/dbraw/zinc/33/87/94/130338794.db2.gz WUTSIRSRIGDCHL-CJNGLKHVSA-N 0 0 316.445 3.010 20 10 DGCDRN C[C@@H](N[C@@H](C)c1ncn(C)n1)c1ccc(N2CCCCC2)cc1 ZINC000275789624 130386386 /nfs/dbraw/zinc/38/63/86/130386386.db2.gz XANCGFKWSWPGCP-CABCVRRESA-N 0 0 313.449 3.217 20 10 DGCDRN C[C@@H](N[C@@H](C)c1ccc(N2CCCCC2)cc1)c1ncn(C)n1 ZINC000275789637 130386559 /nfs/dbraw/zinc/38/65/59/130386559.db2.gz XANCGFKWSWPGCP-LSDHHAIUSA-N 0 0 313.449 3.217 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(=O)[nH]c1C ZINC000282414273 130919826 /nfs/dbraw/zinc/91/98/26/130919826.db2.gz GDNOFAIWCLKTEJ-UHFFFAOYSA-N 0 0 314.385 3.244 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ncoc1CC ZINC000282475397 130924711 /nfs/dbraw/zinc/92/47/11/130924711.db2.gz LATDRZYZBTVSTP-UHFFFAOYSA-N 0 0 302.374 3.385 20 10 DGCDRN COC(=O)C(=O)CCCSc1ncc(C(C)(C)C)s1 ZINC000285264855 131152990 /nfs/dbraw/zinc/15/29/90/131152990.db2.gz SQWOLRFBDBYKEJ-UHFFFAOYSA-N 0 0 301.433 3.055 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2c2cc[nH]n2)c1O ZINC000285307520 131156444 /nfs/dbraw/zinc/15/64/44/131156444.db2.gz HWHTVDDHVGXVSP-MRXNPFEDSA-N 0 0 317.364 3.184 20 10 DGCDRN CC[C@H](C)CCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000285412889 131165976 /nfs/dbraw/zinc/16/59/76/131165976.db2.gz KKOGNFBPONUUON-INIZCTEOSA-N 0 0 318.461 3.308 20 10 DGCDRN CC[C@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ccc(F)cc1[O-] ZINC000285621295 131187431 /nfs/dbraw/zinc/18/74/31/131187431.db2.gz KUEZEOCINIEOPP-HNNXBMFYSA-N 0 0 303.381 3.233 20 10 DGCDRN C[C@H]1COCC[C@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000285660380 131190564 /nfs/dbraw/zinc/19/05/64/131190564.db2.gz ZAZCSHQZJIAJPC-UWVGGRQHSA-N 0 0 304.217 3.461 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc(F)cc1[O-] ZINC000286337737 131231748 /nfs/dbraw/zinc/23/17/48/131231748.db2.gz YRAWWVKVDLVCAA-UKRRQHHQSA-N 0 0 309.381 3.258 20 10 DGCDRN Cc1oc(C(C)C)cc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000286770949 131249626 /nfs/dbraw/zinc/24/96/26/131249626.db2.gz NNCOKVKHDSWKLM-UHFFFAOYSA-N 0 0 303.358 3.095 20 10 DGCDRN CC[C@H]([NH2+]CCCOCCOC)c1cccc(Cl)c1[O-] ZINC000287876340 131304994 /nfs/dbraw/zinc/30/49/94/131304994.db2.gz YELRQNQDUIMJRS-AWEZNQCLSA-N 0 0 301.814 3.139 20 10 DGCDRN C[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)C(F)(F)F ZINC000288718657 131336909 /nfs/dbraw/zinc/33/69/09/131336909.db2.gz YLSRLDRWZLCERI-VIFPVBQESA-N 0 0 316.323 3.021 20 10 DGCDRN COc1ccc(CNCc2noc(-c3cccs3)n2)cc1C ZINC000294738371 131856698 /nfs/dbraw/zinc/85/66/98/131856698.db2.gz DSZZAMHFYQXZQR-UHFFFAOYSA-N 0 0 315.398 3.405 20 10 DGCDRN C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1c(F)ccc(O)c1O ZINC000294762132 131858419 /nfs/dbraw/zinc/85/84/19/131858419.db2.gz BHIZUIDIHLIGQF-WCQYABFASA-N 0 0 315.344 3.255 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CCC(CF)CC2)cc1 ZINC000296507349 131967885 /nfs/dbraw/zinc/96/78/85/131967885.db2.gz ZBXQIJBYSKLYIP-UHFFFAOYSA-N 0 0 321.440 3.424 20 10 DGCDRN Nc1ccc(CNC(=O)C2(Cc3cccc(F)c3)CCC2)cc1 ZINC000297349141 132011356 /nfs/dbraw/zinc/01/13/56/132011356.db2.gz ZAHWXKLZCSWIJW-UHFFFAOYSA-N 0 0 312.388 3.437 20 10 DGCDRN Nc1ccc(CNC(=O)C2(c3ccc(F)cc3F)CCC2)cc1 ZINC000297340311 132011439 /nfs/dbraw/zinc/01/14/39/132011439.db2.gz YJWOURIXDLRWMC-UHFFFAOYSA-N 0 0 316.351 3.285 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)NCc2ccccn2)C2CC2)cc1 ZINC000298877747 132081031 /nfs/dbraw/zinc/08/10/31/132081031.db2.gz NKBXQXIRTMGOJY-UHFFFAOYSA-N 0 0 324.428 3.022 20 10 DGCDRN Cc1cc(C(=O)NC[C@@H]2CCCOC2)c(C)n1-c1ccccc1 ZINC000299171588 132092652 /nfs/dbraw/zinc/09/26/52/132092652.db2.gz VWJCWFUOMJHWHO-INIZCTEOSA-N 0 0 312.413 3.251 20 10 DGCDRN CCOc1ccc(N(CC)CC(=O)Nc2nccs2)cc1 ZINC000299396361 132102906 /nfs/dbraw/zinc/10/29/06/132102906.db2.gz KZROVSVAJSPHQU-UHFFFAOYSA-N 0 0 305.403 3.007 20 10 DGCDRN COc1ccc(C)cc1[C@H](C)NC(=O)NCc1ccccc1O ZINC000299498687 132108211 /nfs/dbraw/zinc/10/82/11/132108211.db2.gz LEESIVMAHPHIAL-ZDUSSCGKSA-N 0 0 314.385 3.270 20 10 DGCDRN COc1ccc(N2CCCN(Cc3nc(C)c(C)o3)CC2)cc1 ZINC000066422923 400088107 /nfs/dbraw/zinc/08/81/07/400088107.db2.gz NXVSMPYUDOOTPR-UHFFFAOYSA-N 0 0 315.417 3.012 20 10 DGCDRN CCOCCCC(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000066841560 400124749 /nfs/dbraw/zinc/12/47/49/400124749.db2.gz RWFMEETVHUNIDQ-UHFFFAOYSA-N 0 0 310.413 3.105 20 10 DGCDRN CC(C)[C@H](C)CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000067902071 400214086 /nfs/dbraw/zinc/21/40/86/400214086.db2.gz ZEDBSBQJKMAGKI-MRXNPFEDSA-N 0 0 318.461 3.164 20 10 DGCDRN CC(C)CN1C(=O)c2ccccc2N[C@@H]1c1cccc(O)c1O ZINC000024098819 400216574 /nfs/dbraw/zinc/21/65/74/400216574.db2.gz FUGNHORNSUQBTO-KRWDZBQOSA-N 0 0 312.369 3.320 20 10 DGCDRN COc1cccc(CNC(=O)NC[C@@H](C)c2ccccc2)c1O ZINC000073498054 400452958 /nfs/dbraw/zinc/45/29/58/400452958.db2.gz HWEVMPYPSGVZAY-CYBMUJFWSA-N 0 0 314.385 3.004 20 10 DGCDRN COc1cccc(CNC(=O)N[C@H]2C[C@@H]2C2CCCCC2)c1O ZINC000074624209 400522057 /nfs/dbraw/zinc/52/20/57/400522057.db2.gz IPOSAULUYTZEIZ-CABCVRRESA-N 0 0 318.417 3.169 20 10 DGCDRN Cc1cc(N(C)Cc2ccc(N(C)C)cc2)ncc1[N+](=O)[O-] ZINC000074726646 400530355 /nfs/dbraw/zinc/53/03/55/400530355.db2.gz IZIWPQQYCXEQCS-UHFFFAOYSA-N 0 0 300.362 3.001 20 10 DGCDRN Cc1noc(-c2cccnc2NCc2ccc(N(C)C)cc2C)n1 ZINC000078264443 400782024 /nfs/dbraw/zinc/78/20/24/400782024.db2.gz ATFNJEYNBXMTEY-UHFFFAOYSA-N 0 0 323.400 3.427 20 10 DGCDRN COc1cc(CNC(=O)N(C)Cc2ccccc2O)ccc1C ZINC000054782517 400838857 /nfs/dbraw/zinc/83/88/57/400838857.db2.gz FBGNOBUECXNZAC-UHFFFAOYSA-N 0 0 314.385 3.051 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)C[C@@H]3C=CCC3)CC2)cc1 ZINC000055877791 400898274 /nfs/dbraw/zinc/89/82/74/400898274.db2.gz FWMKEOUCEOCKQE-MRXNPFEDSA-N 0 0 314.429 3.090 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCCC[C@H]1OC ZINC000080484874 400956873 /nfs/dbraw/zinc/95/68/73/400956873.db2.gz HMFYSSXPAUGNRB-NVXWUHKLSA-N 0 0 320.433 3.271 20 10 DGCDRN CCOC(=O)c1ccc(NCc2ccc(N(C)C)c(F)c2)nc1 ZINC000058545457 401057847 /nfs/dbraw/zinc/05/78/47/401057847.db2.gz YUGPMVGFIKNBPJ-UHFFFAOYSA-N 0 0 317.364 3.076 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1ccccn1 ZINC000063337570 401189879 /nfs/dbraw/zinc/18/98/79/401189879.db2.gz DMNJAIQPRJWUOC-UHFFFAOYSA-N 0 0 311.429 3.129 20 10 DGCDRN CO[C@H]1Cc2ccccc2N(C(=O)/C=C\c2cnccc2C)C1 ZINC000492802543 286115919 /nfs/dbraw/zinc/11/59/19/286115919.db2.gz DTTWRMMZDVDLJD-QWPQOLDESA-N 0 0 308.381 3.008 20 10 DGCDRN COc1cc2c(c(OC)c1)N(C(=O)/C=C\c1cccnc1)CCC2 ZINC000493594610 286251340 /nfs/dbraw/zinc/25/13/40/286251340.db2.gz ZUQUCYRWKSTIGA-FPLPWBNLSA-N 0 0 324.380 3.091 20 10 DGCDRN CC[C@@H]([NH2+]CCNC(=O)c1ccco1)c1cccc(Cl)c1[O-] ZINC000287604910 286907949 /nfs/dbraw/zinc/90/79/49/286907949.db2.gz ITTWWSOIRODCBM-CYBMUJFWSA-N 0 0 322.792 3.109 20 10 DGCDRN C/C=C(\C)C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000269168342 432153273 /nfs/dbraw/zinc/15/32/73/432153273.db2.gz QRSNNQUIMQEPKF-ONNFQVAWSA-N 0 0 312.207 3.469 20 10 DGCDRN CC(C)COc1ccc(C(=O)NCCc2ccc(N)cc2)cc1 ZINC000269152501 432153587 /nfs/dbraw/zinc/15/35/87/432153587.db2.gz UDDRMJMGWHWPKK-UHFFFAOYSA-N 0 0 312.413 3.276 20 10 DGCDRN CC(C)N(Cc1ccccc1F)C(=O)Cc1ccc(N)cc1 ZINC000269227458 432155654 /nfs/dbraw/zinc/15/56/54/432155654.db2.gz NFTVHQFTTWTFTP-UHFFFAOYSA-N 0 0 300.377 3.388 20 10 DGCDRN COc1ccc2c(c1)CCC[C@H]2NC(=O)Cc1ccc(N)cc1 ZINC000269232854 432155735 /nfs/dbraw/zinc/15/57/35/432155735.db2.gz PYZXUJPBLKYQNZ-GOSISDBHSA-N 0 0 310.397 3.014 20 10 DGCDRN CCCN(Cc1ccccc1O)c1nn2cc(C)nc2s1 ZINC000269340974 432163542 /nfs/dbraw/zinc/16/35/42/432163542.db2.gz GWMFZPKMTKVOAJ-UHFFFAOYSA-N 0 0 302.403 3.221 20 10 DGCDRN CCS[C@H](C)c1noc(CN(C)Cc2ccccc2O)n1 ZINC000137278623 432175558 /nfs/dbraw/zinc/17/55/58/432175558.db2.gz QJSXUVAARCCHMY-LLVKDONJSA-N 0 0 307.419 3.221 20 10 DGCDRN CCc1nnc2ccc(NCc3ccc(N(CC)CC)cc3)nn21 ZINC000171944901 432186128 /nfs/dbraw/zinc/18/61/28/432186128.db2.gz DWZAETIQZQIJFB-UHFFFAOYSA-N 0 0 324.432 3.145 20 10 DGCDRN Oc1ccccc1C[N@H+](CCc1cccnc1)C[C@H]1CCCO1 ZINC000172164037 432200294 /nfs/dbraw/zinc/20/02/94/432200294.db2.gz UFCJKIGJVMZHQN-GOSISDBHSA-N 0 0 312.413 3.011 20 10 DGCDRN CC(C)[C@H](C)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000172229930 432202669 /nfs/dbraw/zinc/20/26/69/432202669.db2.gz TXUGYWVUWSOMKU-HOCLYGCPSA-N 0 0 305.418 3.192 20 10 DGCDRN CC1(C)C[C@@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000269859183 432214474 /nfs/dbraw/zinc/21/44/74/432214474.db2.gz RBTHQLGNBCMAAF-GFCCVEGCSA-N 0 0 306.369 3.381 20 10 DGCDRN Oc1ccccc1CN(Cc1nccs1)C[C@@H]1CCCO1 ZINC000269735707 432204248 /nfs/dbraw/zinc/20/42/48/432204248.db2.gz ZQVZTIQJOPQATO-AWEZNQCLSA-N 0 0 304.415 3.030 20 10 DGCDRN Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000172490735 432216394 /nfs/dbraw/zinc/21/63/94/432216394.db2.gz FHKWCGSRLTUVFL-HNNXBMFYSA-N 0 0 313.397 3.130 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CSC[C@@H]1C ZINC000346315772 229168647 /nfs/dbraw/zinc/16/86/47/229168647.db2.gz IPXGXFGNMOYXTD-SMDDNHRTSA-N 0 0 317.458 3.037 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCc1ccccn1 ZINC000348660507 229205152 /nfs/dbraw/zinc/20/51/52/229205152.db2.gz LVXCXLRQMAFFFM-UHFFFAOYSA-N 0 0 307.397 3.131 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNc1ccc(C(=O)N(C)C)cn1 ZINC000359849256 229386148 /nfs/dbraw/zinc/38/61/48/229386148.db2.gz UAFXOFWXLRCJSW-UHFFFAOYSA-N 0 0 322.412 3.196 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@H](C2CC2)C1 ZINC000362688020 229435879 /nfs/dbraw/zinc/43/58/79/229435879.db2.gz KQVUWRUWWYYFGP-KRWDZBQOSA-N 0 0 313.445 3.228 20 10 DGCDRN CC(C)CC1(C(=O)N2CCOc3cc(N(C)C)ccc32)CC1 ZINC000441078050 277347054 /nfs/dbraw/zinc/34/70/54/277347054.db2.gz ICIJOCVRERARNZ-UHFFFAOYSA-N 0 0 302.418 3.304 20 10 DGCDRN CC[C@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cccc(Cl)c1[O-] ZINC000287115048 288038049 /nfs/dbraw/zinc/03/80/49/288038049.db2.gz QSJPOMXCEFOFID-RNODOKPDSA-N 0 0 315.866 3.388 20 10 DGCDRN CC[C@H]([NH2+][C@@H](COC)[C@@H]1CCCO1)c1cccc(Cl)c1[O-] ZINC000286972011 288063865 /nfs/dbraw/zinc/06/38/65/288063865.db2.gz IMJVGBIAAUGUTI-KKUMJFAQSA-N 0 0 313.825 3.280 20 10 DGCDRN CSc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)o1 ZINC000112241197 431258492 /nfs/dbraw/zinc/25/84/92/431258492.db2.gz MGSFYMWWBCPKIW-UHFFFAOYSA-N 0 0 316.426 3.314 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N(C)CCc2cccs2)cc1 ZINC000075537235 431483010 /nfs/dbraw/zinc/48/30/10/431483010.db2.gz JCJMRWLSIWIDCS-UHFFFAOYSA-N 0 0 317.458 3.198 20 10 DGCDRN CC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(C)c(O)c1O ZINC000182507923 280159247 /nfs/dbraw/zinc/15/92/47/280159247.db2.gz WZLVUUBKTNDEHW-HNNXBMFYSA-N 0 0 313.397 3.500 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1nnc(CC)s1 ZINC000118792866 431618795 /nfs/dbraw/zinc/61/87/95/431618795.db2.gz WPQQCJIFLVTRSQ-UHFFFAOYSA-N 0 0 320.418 3.250 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000122566400 431837419 /nfs/dbraw/zinc/83/74/19/431837419.db2.gz ANKLZPFJQRYAFO-ARFHVFGLSA-N 0 0 317.429 3.363 20 10 DGCDRN C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccccn1 ZINC000125150633 431915493 /nfs/dbraw/zinc/91/54/93/431915493.db2.gz YXTDXJPUEQSBSP-HNNXBMFYSA-N 0 0 322.412 3.018 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NCC2(C3CC3)CC2)cc1 ZINC000123773649 431874208 /nfs/dbraw/zinc/87/42/08/431874208.db2.gz MJKVSOKLXTXQNL-UHFFFAOYSA-N 0 0 301.434 3.084 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccccn1 ZINC000052396830 431955582 /nfs/dbraw/zinc/95/55/82/431955582.db2.gz YJTJLHNYHSZWET-UHFFFAOYSA-N 0 0 309.413 3.344 20 10 DGCDRN C[C@H](CC1CCCC1)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183488544 432297655 /nfs/dbraw/zinc/29/76/55/432297655.db2.gz DRMJWRMBDCGDNN-OLZOCXBDSA-N 0 0 305.418 3.361 20 10 DGCDRN Cc1cccnc1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000173258885 432267489 /nfs/dbraw/zinc/26/74/89/432267489.db2.gz DLRRRLCAQWYBLS-UHFFFAOYSA-N 0 0 311.385 3.296 20 10 DGCDRN COc1cc(Cl)cc(C[N@@H+]2CCSCC[C@H]2C)c1O ZINC000191816913 432304345 /nfs/dbraw/zinc/30/43/45/432304345.db2.gz MJNRMUUVJXGFQX-SNVBAGLBSA-N 0 0 301.839 3.382 20 10 DGCDRN CCc1nnc([C@@H](C)N[C@@H](CC)c2ccc(N(C)C)cc2)[nH]1 ZINC000271443594 432397573 /nfs/dbraw/zinc/39/75/73/432397573.db2.gz FKTXFCXTMJXBLY-DOMZBBRYSA-N 0 0 301.438 3.235 20 10 DGCDRN Cc1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)nc1 ZINC000184233233 432370352 /nfs/dbraw/zinc/37/03/52/432370352.db2.gz AVZNXWIYEFFPDQ-UHFFFAOYSA-N 0 0 310.401 3.312 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCO[C@H](C)C2)cc1F ZINC000271970069 432433570 /nfs/dbraw/zinc/43/35/70/432433570.db2.gz IDCJXUIFILNOIZ-UKRRQHHQSA-N 0 0 322.424 3.103 20 10 DGCDRN Cc1cccc(CNc2ccc(OCC(C)(C)O)cc2)c1O ZINC000272029974 432433975 /nfs/dbraw/zinc/43/39/75/432433975.db2.gz YQKGPNCNJCNMSZ-UHFFFAOYSA-N 0 0 301.386 3.462 20 10 DGCDRN CCOc1ccc(O)c([C@@H]2Nc3ccc(C)cc3C(=O)N2C)c1 ZINC000153686218 432434572 /nfs/dbraw/zinc/43/45/72/432434572.db2.gz FTOWDQLPNTZLKY-QGZVFWFLSA-N 0 0 312.369 3.296 20 10 DGCDRN C[C@@H]([NH2+]CCCC(=O)N(C)C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192762491 432410630 /nfs/dbraw/zinc/41/06/30/432410630.db2.gz ZKLAZDOKLVRTCO-SECBINFHSA-N 0 0 319.232 3.218 20 10 DGCDRN CN(C)c1ccc(CNc2ncc(Cl)cc2[N+](=O)[O-])cc1 ZINC000153529855 432417445 /nfs/dbraw/zinc/41/74/45/432417445.db2.gz XKYSJOLHFXXYEA-UHFFFAOYSA-N 0 0 306.753 3.321 20 10 DGCDRN COc1ccc([C@@H](CO)[N@H+](C)Cc2cccc(Cl)c2[O-])cc1 ZINC000271780362 432424299 /nfs/dbraw/zinc/42/42/99/432424299.db2.gz HPWWRRJIUHZPTC-MRXNPFEDSA-N 0 0 321.804 3.220 20 10 DGCDRN COc1cc(O)c(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)cc1OC ZINC000271840654 432425827 /nfs/dbraw/zinc/42/58/27/432425827.db2.gz QPAOJLMUSFHOPL-CXAGYDPISA-N 0 0 323.433 3.093 20 10 DGCDRN COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(N(C)C)c2)c1 ZINC000271854002 432426130 /nfs/dbraw/zinc/42/61/30/432426130.db2.gz RYLAHIPKQFWYIL-CYBMUJFWSA-N 0 0 300.402 3.318 20 10 DGCDRN C[C@H]1C[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCO1 ZINC000271867860 432426622 /nfs/dbraw/zinc/42/66/22/432426622.db2.gz JTNBEILAZRAWCC-HOCLYGCPSA-N 0 0 316.445 3.059 20 10 DGCDRN CCn1ncnc1CN(c1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000193426300 432472444 /nfs/dbraw/zinc/47/24/44/432472444.db2.gz BDBUTVHWXLTVAL-CYBMUJFWSA-N 0 0 300.406 3.112 20 10 DGCDRN Nc1ccc(CCNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1 ZINC000262359849 432482380 /nfs/dbraw/zinc/48/23/80/432482380.db2.gz WFZXGJOHMWGKFC-KGLIPLIRSA-N 0 0 314.351 3.296 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CC[C@H]2CCOC2)cc1F ZINC000176036330 432488697 /nfs/dbraw/zinc/48/86/97/432488697.db2.gz UBDDIKVPGYIOLC-AWEZNQCLSA-N 0 0 322.424 3.105 20 10 DGCDRN CC(C)N(C(=O)NCc1ccc2c(c1)CCCN2C)C1CC1 ZINC000176038980 432489005 /nfs/dbraw/zinc/48/90/05/432489005.db2.gz KETZCOSZMMFVNT-UHFFFAOYSA-N 0 0 301.434 3.151 20 10 DGCDRN Cc1ccc([C@@H](C)[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c(O)c1 ZINC000185464560 432502749 /nfs/dbraw/zinc/50/27/49/432502749.db2.gz JCKJCBHTNUODRR-GDBMZVCRSA-N 0 0 324.424 3.436 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Cc2ccc(Cl)s2)cc1 ZINC000193285212 432462366 /nfs/dbraw/zinc/46/23/66/432462366.db2.gz MXLWVQWPYRCFJW-UHFFFAOYSA-N 0 0 308.834 3.326 20 10 DGCDRN C[C@H]1CC[C@@H](CCC(=O)NCc2ccc3c(c2)CCCN3C)O1 ZINC000175788038 432465457 /nfs/dbraw/zinc/46/54/57/432465457.db2.gz DQCWRVPVOPNYLQ-YOEHRIQHSA-N 0 0 316.445 3.033 20 10 DGCDRN Cc1cc2c(cc1C)[C@@H](C(=O)N(C)Cc1ccccc1O)CO2 ZINC000186102502 432559029 /nfs/dbraw/zinc/55/90/29/432559029.db2.gz HOELARJDEJXLKL-INIZCTEOSA-N 0 0 311.381 3.144 20 10 DGCDRN Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000263642444 432561429 /nfs/dbraw/zinc/56/14/29/432561429.db2.gz AFEBDGTXKQTIKE-OAHLLOKOSA-N 0 0 311.303 3.072 20 10 DGCDRN Cc1ccc(C(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)c(O)c1O ZINC000185824628 432536763 /nfs/dbraw/zinc/53/67/63/432536763.db2.gz GEVDIUNUQKQSPJ-NSHDSACASA-N 0 0 323.348 3.127 20 10 DGCDRN CCCOc1ccc(CNc2nnc(C(C)(C)C)o2)c(O)c1 ZINC000185887590 432542760 /nfs/dbraw/zinc/54/27/60/432542760.db2.gz KEDVLGURRGKOBR-UHFFFAOYSA-N 0 0 305.378 3.474 20 10 DGCDRN CCN(CC)c1ccc(CNc2cccnc2-n2cncn2)cc1 ZINC000194376546 432546700 /nfs/dbraw/zinc/54/67/00/432546700.db2.gz OEAVBOHIYRULRY-UHFFFAOYSA-N 0 0 322.416 3.121 20 10 DGCDRN Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273496178 432605043 /nfs/dbraw/zinc/60/50/43/432605043.db2.gz PEJVTMLHTUZNDV-NXEZZACHSA-N 0 0 319.361 3.360 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)CSc1ccncc1 ZINC000264088429 432614605 /nfs/dbraw/zinc/61/46/05/432614605.db2.gz NLTPZVQJTJTDCE-UHFFFAOYSA-N 0 0 316.426 3.318 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@H]1CCCOc2ccccc21 ZINC000263693314 432566789 /nfs/dbraw/zinc/56/67/89/432566789.db2.gz HAPMTOHLHBMHNK-HNNXBMFYSA-N 0 0 312.369 3.105 20 10 DGCDRN CN(CC(C)(C)C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000263793113 432578401 /nfs/dbraw/zinc/57/84/01/432578401.db2.gz RHJQHXYCFGHNHP-UHFFFAOYSA-N 0 0 303.450 3.474 20 10 DGCDRN COc1ccc(N(C)Cc2ncc(Cl)n2C)cc1Cl ZINC000177072210 432581874 /nfs/dbraw/zinc/58/18/74/432581874.db2.gz SVASPGLGCPXGHH-UHFFFAOYSA-N 0 0 300.189 3.372 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCC(C)(C)CC1 ZINC000186380945 432589648 /nfs/dbraw/zinc/58/96/48/432589648.db2.gz YFDMAGROFSRCOV-GFCCVEGCSA-N 0 0 305.418 3.361 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCC(C)(C)C1 ZINC000186397488 432591684 /nfs/dbraw/zinc/59/16/84/432591684.db2.gz JHWDZMLUXBQINM-TZMCWYRMSA-N 0 0 305.418 3.361 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)C1CCCC1 ZINC000186424615 432594294 /nfs/dbraw/zinc/59/42/94/432594294.db2.gz ADNXTILRYCSSSN-GFCCVEGCSA-N 0 0 305.418 3.361 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)CC(C)(C)OC)c1 ZINC000273465322 432602297 /nfs/dbraw/zinc/60/22/97/432602297.db2.gz DQNJCAONSXECKN-NEPJUHHUSA-N 0 0 309.406 3.033 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(O)c1 ZINC000195454624 432623684 /nfs/dbraw/zinc/62/36/84/432623684.db2.gz VJVMUGHMHAUMQL-HNNXBMFYSA-N 0 0 312.413 3.080 20 10 DGCDRN COc1ccc([C@@H]2CCCN2C(=O)c2cccc(O)c2O)cc1 ZINC000186837338 432633711 /nfs/dbraw/zinc/63/37/11/432633711.db2.gz MGUIFNOJNQLEGI-HNNXBMFYSA-N 0 0 313.353 3.084 20 10 DGCDRN C[N@@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(F)cc1Cl ZINC000187246091 432653834 /nfs/dbraw/zinc/65/38/34/432653834.db2.gz AGHQOGBFKGJNPP-MRXNPFEDSA-N 0 0 309.768 3.350 20 10 DGCDRN Cc1ncccc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000264575720 432660078 /nfs/dbraw/zinc/66/00/78/432660078.db2.gz VPTGUHPHPOVOEA-UHFFFAOYSA-N 0 0 309.413 3.261 20 10 DGCDRN Cc1nc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)cs1 ZINC000264659546 432661958 /nfs/dbraw/zinc/66/19/58/432661958.db2.gz YNLQKNRGNDAHLV-CYBMUJFWSA-N 0 0 317.458 3.139 20 10 DGCDRN CN(C)[C@H](C[NH2+]Cc1cccc(Cl)c1[O-])c1cccs1 ZINC000159730763 432693900 /nfs/dbraw/zinc/69/39/00/432693900.db2.gz MDYMCBGSKMZUNK-CYBMUJFWSA-N 0 0 310.850 3.500 20 10 DGCDRN C[C@@H]1CCCCN1C(=O)COc1ccc(N2CCCC2)cc1 ZINC000178192963 432705702 /nfs/dbraw/zinc/70/57/02/432705702.db2.gz NVPLGGKRDFLSNJ-OAHLLOKOSA-N 0 0 302.418 3.067 20 10 DGCDRN CN(C)c1ccc(CN2CCC(C(=O)C(F)(F)F)CC2)cc1 ZINC000187656830 432674550 /nfs/dbraw/zinc/67/45/50/432674550.db2.gz ZDOOCGMUPHSKEO-UHFFFAOYSA-N 0 0 314.351 3.096 20 10 DGCDRN CC1(C)C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@@H]1O ZINC000276108549 432774091 /nfs/dbraw/zinc/77/40/91/432774091.db2.gz ZUELAGZGJPWHMH-LBPRGKRZSA-N 0 0 304.217 3.292 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccncc1Cl ZINC000266680729 432776963 /nfs/dbraw/zinc/77/69/63/432776963.db2.gz LQCLOLGJBNNGPJ-UHFFFAOYSA-N 0 0 317.820 3.463 20 10 DGCDRN C/C=C(\CC)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000276568364 432820004 /nfs/dbraw/zinc/82/00/04/432820004.db2.gz REXRTZMZRSEJPR-TWQVXDNOSA-N 0 0 303.402 3.256 20 10 DGCDRN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1c(F)ccc(O)c1O ZINC000276636166 432823182 /nfs/dbraw/zinc/82/31/82/432823182.db2.gz WZQMPKNMNKRXNC-DGCLKSJQSA-N 0 0 315.344 3.255 20 10 DGCDRN C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1c(F)ccc(O)c1O ZINC000276636159 432823834 /nfs/dbraw/zinc/82/38/34/432823834.db2.gz WZQMPKNMNKRXNC-AAEUAGOBSA-N 0 0 315.344 3.255 20 10 DGCDRN Cc1cccc([C@H]([NH2+]Cc2ccc(N(C)C)cc2)C(=O)[O-])c1C ZINC000277207974 432830434 /nfs/dbraw/zinc/83/04/34/432830434.db2.gz HBPIZMGMBNTNHK-SFHVURJKSA-N 0 0 312.413 3.285 20 10 DGCDRN CCCC[C@@H]([NH2+]Cc1ccc(N(CC)CC)c(F)c1)C(=O)[O-] ZINC000277163674 432830584 /nfs/dbraw/zinc/83/05/84/432830584.db2.gz DLBGMFPODSXJMV-OAHLLOKOSA-N 0 0 310.413 3.405 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]C[C@H](C(=O)[O-])C(C)C)cc1F ZINC000277312728 432836996 /nfs/dbraw/zinc/83/69/96/432836996.db2.gz NMZSOGLNZIYLLV-AWEZNQCLSA-N 0 0 310.413 3.118 20 10 DGCDRN COc1ccc(O)c(CNc2cccc(NC(=O)C3CC3)c2)c1 ZINC000237364324 432785761 /nfs/dbraw/zinc/78/57/61/432785761.db2.gz PXMPOQSNYQHDAP-UHFFFAOYSA-N 0 0 312.369 3.361 20 10 DGCDRN COc1ccc(O)c(CNc2cccc(N3CCCC3=O)c2)c1 ZINC000237364245 432785906 /nfs/dbraw/zinc/78/59/06/432785906.db2.gz LIJUDTIXNXRQMB-UHFFFAOYSA-N 0 0 312.369 3.140 20 10 DGCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CC1CCCC1 ZINC000277323608 432838270 /nfs/dbraw/zinc/83/82/70/432838270.db2.gz MFKVNRCXNMGPDR-UHFFFAOYSA-N 0 0 322.792 3.000 20 10 DGCDRN Cc1ccc(N2CCCC2)c(C(=O)NCCc2ccc(N)cc2)c1 ZINC000237872220 432802794 /nfs/dbraw/zinc/80/27/94/432802794.db2.gz VKYRILOKKJGEGR-UHFFFAOYSA-N 0 0 323.440 3.150 20 10 DGCDRN O=C(NCc1ccccc1O)NC[C@H]1CCC2(CCCCC2)O1 ZINC000276509005 432812768 /nfs/dbraw/zinc/81/27/68/432812768.db2.gz CUQWVWXRQWUGBO-OAHLLOKOSA-N 0 0 318.417 3.073 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C)sn1 ZINC000277987831 432880176 /nfs/dbraw/zinc/88/01/76/432880176.db2.gz OFIDVQZANUXUKJ-UHFFFAOYSA-N 0 0 303.431 3.180 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000278240746 432890120 /nfs/dbraw/zinc/89/01/20/432890120.db2.gz NUADWDQMXDEXNV-WCQYABFASA-N 0 0 306.362 3.074 20 10 DGCDRN CC[C@@H](C)c1nnc([C@H](C)NCc2ccc(OC)c(C)c2)[nH]1 ZINC000277489541 432854824 /nfs/dbraw/zinc/85/48/24/432854824.db2.gz UCYXNTCDEPXISY-YPMHNXCESA-N 0 0 302.422 3.486 20 10 DGCDRN CCOc1ccc(O)c(CNCc2nnc(C(C)(C)C)s2)c1 ZINC000268232779 432857698 /nfs/dbraw/zinc/85/76/98/432857698.db2.gz UYVKMLWBDHKBBU-UHFFFAOYSA-N 0 0 321.446 3.230 20 10 DGCDRN CCCCN(Cc1nn(CC)nc1C)Cc1ccccc1O ZINC000296686947 432925204 /nfs/dbraw/zinc/92/52/04/432925204.db2.gz HEMDZXSGQNQUSN-UHFFFAOYSA-N 0 0 302.422 3.114 20 10 DGCDRN COCCCn1cc(C)c(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000296958965 432942435 /nfs/dbraw/zinc/94/24/35/432942435.db2.gz YEOABUBQWLUPDB-UHFFFAOYSA-N 0 0 320.412 3.045 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCC[C@H](C)O ZINC000279212459 432946054 /nfs/dbraw/zinc/94/60/54/432946054.db2.gz WXERVCZSBVPRLO-ZDUSSCGKSA-N 0 0 306.431 3.046 20 10 DGCDRN C[C@@H](N[C@@H](C)c1cc(Cl)c(Cl)cc1O)c1ncn(C)n1 ZINC000278793772 432901338 /nfs/dbraw/zinc/90/13/38/432901338.db2.gz QNPZHNXNXJXAGZ-JGVFFNPUSA-N 0 0 315.204 3.239 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC(CF)CC1 ZINC000296379009 432901423 /nfs/dbraw/zinc/90/14/23/432901423.db2.gz PPYNCJWVGRDBIW-UHFFFAOYSA-N 0 0 319.424 3.178 20 10 DGCDRN C[C@@H](N[C@H](C)c1cc(Cl)c(Cl)cc1O)c1ncn(C)n1 ZINC000278793770 432901649 /nfs/dbraw/zinc/90/16/49/432901649.db2.gz QNPZHNXNXJXAGZ-HTQZYQBOSA-N 0 0 315.204 3.239 20 10 DGCDRN CCOc1ccc(O)c(CN2CCCC[C@H]2c2nc(C)no2)c1 ZINC000289666638 432971724 /nfs/dbraw/zinc/97/17/24/432971724.db2.gz DDIQQXVBNPOHTP-HNNXBMFYSA-N 0 0 317.389 3.210 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1CCC(O)CC1 ZINC000279456056 432972490 /nfs/dbraw/zinc/97/24/90/432972490.db2.gz GJEMCIQHPLHKTH-UHFFFAOYSA-N 0 0 318.461 3.041 20 10 DGCDRN CN(C)c1ccc(CN(Cc2cnn(C)c2)Cc2ccco2)cc1 ZINC000289910701 432978866 /nfs/dbraw/zinc/97/88/66/432978866.db2.gz UZJNFNMRMDZZCA-UHFFFAOYSA-N 0 0 324.428 3.282 20 10 DGCDRN Cc1sc(CC(=O)N(C)Cc2ccccc2O)nc1C(C)C ZINC000279538601 432981257 /nfs/dbraw/zinc/98/12/57/432981257.db2.gz SWXRKNSVLOMMJW-UHFFFAOYSA-N 0 0 318.442 3.482 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000289957452 432981642 /nfs/dbraw/zinc/98/16/42/432981642.db2.gz YYYDQEVZSMEBOI-GHMZBOCLSA-N 0 0 323.742 3.038 20 10 DGCDRN COc1cc(Cl)cc(C[NH2+][C@H](C)[C@H](O)c2ccccc2)c1O ZINC000289998106 432982562 /nfs/dbraw/zinc/98/25/62/432982562.db2.gz CTPCGJNNOVKRAO-BZNIZROVSA-N 0 0 321.804 3.266 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cc(N)ccc2C)cc1 ZINC000279863648 432997233 /nfs/dbraw/zinc/99/72/33/432997233.db2.gz BSAOCYIUUQMONN-UHFFFAOYSA-N 0 0 311.429 3.353 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)C[C@@H]1CCC(=O)[C@@H]1C ZINC000279908344 432997317 /nfs/dbraw/zinc/99/73/17/432997317.db2.gz MWVZLCAHTVGKEH-KGLIPLIRSA-N 0 0 303.402 3.136 20 10 DGCDRN CC(C)(C)[C@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000279951289 432999698 /nfs/dbraw/zinc/99/96/98/432999698.db2.gz CYGPGAASKVIZPV-KGXGESDWSA-N 0 0 303.402 3.396 20 10 DGCDRN CC[C@@H](Nc1cccc(OCC(N)=O)c1)c1ccc(C)cc1O ZINC000280119690 433002847 /nfs/dbraw/zinc/00/28/47/433002847.db2.gz OEWWIRUNXAXLJU-MRXNPFEDSA-N 0 0 314.385 3.128 20 10 DGCDRN CCCOc1ccc(C[N@@H+]2CC[C@@](CO)(CCC)C2)c(O)c1 ZINC000290169220 433005441 /nfs/dbraw/zinc/00/54/41/433005441.db2.gz MQTDASAAZWKVRY-SFHVURJKSA-N 0 0 307.434 3.166 20 10 DGCDRN CCC[C@]1(CO)CC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000290232685 433016371 /nfs/dbraw/zinc/01/63/71/433016371.db2.gz SZWGKXFSAWWXLR-INIZCTEOSA-N 0 0 313.825 3.039 20 10 DGCDRN CC/C=C/CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000298070483 433045773 /nfs/dbraw/zinc/04/57/73/433045773.db2.gz KJEBCITULCSJMI-WUTVXBCWSA-N 0 0 318.417 3.049 20 10 DGCDRN C[NH+](C)C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000179634707 289195723 /nfs/dbraw/zinc/19/57/23/289195723.db2.gz BRBFHSPJFJBGFV-JTQLQIEISA-N 0 0 303.233 3.083 20 10 DGCDRN COc1cc(NS(=O)(=O)c2c(C)cc(C)cc2C)ccc1O ZINC000280524293 433071035 /nfs/dbraw/zinc/07/10/35/433071035.db2.gz GBGQOJUCOFHHPL-UHFFFAOYSA-N 0 0 321.398 3.127 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)/C=C/c2cccnc2)C2CC2)cc1 ZINC000298408370 433124622 /nfs/dbraw/zinc/12/46/22/433124622.db2.gz RGBQRAKOZTWFDA-KPKJPENVSA-N 0 0 321.424 3.352 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CC(C)(C)[C@@H]2C2CC2)cc1 ZINC000290784435 433166708 /nfs/dbraw/zinc/16/67/08/433166708.db2.gz NJYIKLCFOHBHKM-INIZCTEOSA-N 0 0 301.434 3.083 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000374541762 433217703 /nfs/dbraw/zinc/21/77/03/433217703.db2.gz QCKCWHQTLRBJFZ-LLVKDONJSA-N 0 0 312.200 3.069 20 10 DGCDRN OC[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCC1(F)F ZINC000291317086 433235314 /nfs/dbraw/zinc/23/53/14/433235314.db2.gz SGADJDFJIVMZTN-INIZCTEOSA-N 0 0 324.415 3.126 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](F)CC1CCCCC1 ZINC000281333961 433288139 /nfs/dbraw/zinc/28/81/39/433288139.db2.gz VPRIRXSYPRIGFZ-WFASDCNBSA-N 0 0 323.408 3.454 20 10 DGCDRN CCOCc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC ZINC000299462356 433366847 /nfs/dbraw/zinc/36/68/47/433366847.db2.gz YFKBMVCKCAOIAY-MDWZMJQESA-N 0 0 323.439 3.063 20 10 DGCDRN CC1=C(C)CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000281663960 433340251 /nfs/dbraw/zinc/34/02/51/433340251.db2.gz NRWCIMBNIVALOI-UHFFFAOYSA-N 0 0 311.429 3.315 20 10 DGCDRN COc1ccnc(NCc2ccc(N3CCC(C)CC3)cc2)n1 ZINC000301211432 433454096 /nfs/dbraw/zinc/45/40/96/433454096.db2.gz UMTHTBUYUUQOBM-UHFFFAOYSA-N 0 0 312.417 3.334 20 10 DGCDRN CC(C)c1nnc(CN(Cc2ccc(N(C)C)cc2)C2CC2)[nH]1 ZINC000292128853 433472522 /nfs/dbraw/zinc/47/25/22/433472522.db2.gz GIHANYMVEJEBCJ-UHFFFAOYSA-N 0 0 313.449 3.159 20 10 DGCDRN CC1(C)CN(Cc2cc3c(cc2O)OCO3)[C@H]1c1ccncc1 ZINC000292353692 433559470 /nfs/dbraw/zinc/55/94/70/433559470.db2.gz FGQMMXOFFVJRIH-KRWDZBQOSA-N 0 0 312.369 3.099 20 10 DGCDRN CCc1nsc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000301498209 433579176 /nfs/dbraw/zinc/57/91/76/433579176.db2.gz DMRKCOBMEXNTPX-LBPRGKRZSA-N 0 0 318.446 3.110 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)CC[C@H]1CCCO1 ZINC000282378662 433585916 /nfs/dbraw/zinc/58/59/16/433585916.db2.gz CORLXKPZGTWDHX-MRXNPFEDSA-N 0 0 305.418 3.480 20 10 DGCDRN CCCOc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC000282411436 433597042 /nfs/dbraw/zinc/59/70/42/433597042.db2.gz ZCNWNIVPQFDKIZ-QDMKHBRRSA-N 0 0 307.434 3.474 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](O)c1ccccc1 ZINC000282482425 433614601 /nfs/dbraw/zinc/61/46/01/433614601.db2.gz LUFLCLKSGXZHAK-GOSISDBHSA-N 0 0 313.397 3.255 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1ccncn1 ZINC000282547832 433615584 /nfs/dbraw/zinc/61/55/84/433615584.db2.gz CHELYDVELBCULR-UHFFFAOYSA-N 0 0 300.362 3.016 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000301644726 433655539 /nfs/dbraw/zinc/65/55/39/433655539.db2.gz HLUCGKSHHKWMBF-UHFFFAOYSA-N 0 0 300.362 3.285 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(C)nsc1C ZINC000293251271 433670647 /nfs/dbraw/zinc/67/06/47/433670647.db2.gz IHPBXUSQOYNETH-UHFFFAOYSA-N 0 0 317.458 3.488 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2c2ncc[nH]2)c1O ZINC000376495652 433754377 /nfs/dbraw/zinc/75/43/77/433754377.db2.gz PSFIDRXKPTUCCK-CQSZACIVSA-N 0 0 319.792 3.308 20 10 DGCDRN C[C@@H](Nc1ncc(Br)cn1)c1ccc(N(C)C)cc1 ZINC000302415728 433824434 /nfs/dbraw/zinc/82/44/34/433824434.db2.gz NJIXSPQNEHLMTD-SNVBAGLBSA-N 0 0 321.222 3.478 20 10 DGCDRN Cc1nccn1CCCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293640361 433809878 /nfs/dbraw/zinc/80/98/78/433809878.db2.gz NYRPTOQWLNXQIQ-UHFFFAOYSA-N 0 0 311.788 3.260 20 10 DGCDRN C[C@H](C(=O)NCc1ccccc1O)[C@@H]1OCCc2sccc21 ZINC000293675148 433826264 /nfs/dbraw/zinc/82/62/64/433826264.db2.gz KJUXENIBWBQVPY-ZBEGNZNMSA-N 0 0 317.410 3.020 20 10 DGCDRN CCC(CC)(CNC(=O)N(C)Cc1ccc(N(C)C)cc1)OC ZINC000293865465 433900854 /nfs/dbraw/zinc/90/08/54/433900854.db2.gz XYALTWYBBZCXSZ-UHFFFAOYSA-N 0 0 321.465 3.099 20 10 DGCDRN Cc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2cccnc2)c(O)c1O ZINC000293898642 433915434 /nfs/dbraw/zinc/91/54/34/433915434.db2.gz RBPAHKXAVPJAGU-INIZCTEOSA-N 0 0 312.369 3.025 20 10 DGCDRN CCCOc1ccc(C[N@@H+]2CC[C@H](O)C23CCCC3)c(O)c1 ZINC000294067264 433984567 /nfs/dbraw/zinc/98/45/67/433984567.db2.gz YHFXYVRNFBESAI-KRWDZBQOSA-N 0 0 305.418 3.060 20 10 DGCDRN COc1ccc(C2CCN(C(=O)Cc3ccc(N)cc3)CC2)cc1 ZINC000363522535 434081024 /nfs/dbraw/zinc/08/10/24/434081024.db2.gz IWAWSXYYOYCTFR-UHFFFAOYSA-N 0 0 324.424 3.226 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CSC(F)F ZINC000294618572 434124384 /nfs/dbraw/zinc/12/43/84/434124384.db2.gz FCWNQUAYZQOPDV-UHFFFAOYSA-N 0 0 302.390 3.057 20 10 DGCDRN COc1ccc(CNCc2ncc(C(F)(F)F)cn2)cc1C ZINC000294718645 434129619 /nfs/dbraw/zinc/12/96/19/434129619.db2.gz CKPGDWPAWXHYJI-UHFFFAOYSA-N 0 0 311.307 3.102 20 10 DGCDRN C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1c(F)ccc(O)c1O ZINC000294762130 434137499 /nfs/dbraw/zinc/13/74/99/434137499.db2.gz BHIZUIDIHLIGQF-DGCLKSJQSA-N 0 0 315.344 3.255 20 10 DGCDRN Cc1nnc(CN2CCCc3cc(OC(F)F)ccc32)s1 ZINC000378399393 434165794 /nfs/dbraw/zinc/16/57/94/434165794.db2.gz RKSITIAKMKMLGT-UHFFFAOYSA-N 0 0 311.357 3.401 20 10 DGCDRN COC(=O)c1cnc(SCCCC(=O)OC(C)(C)C)s1 ZINC000294929070 434152933 /nfs/dbraw/zinc/15/29/33/434152933.db2.gz CVPLMRNNALMTGP-UHFFFAOYSA-N 0 0 317.432 3.144 20 10 DGCDRN COC(=O)c1cnc(S[C@@H](C)c2nc(C3CC3)no2)s1 ZINC000295360899 434328557 /nfs/dbraw/zinc/32/85/57/434328557.db2.gz RMGKDTCIWXNIRS-LURJTMIESA-N 0 0 311.388 3.043 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCC(c2ccc(F)cc2)CC1 ZINC000366169458 434350387 /nfs/dbraw/zinc/35/03/87/434350387.db2.gz IFXZZNQMUCLLIT-UHFFFAOYSA-N 0 0 315.344 3.257 20 10 DGCDRN CC[C@@H]1C[C@H]1NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000438121942 434419639 /nfs/dbraw/zinc/41/96/39/434419639.db2.gz ZEWCWYNANKBPMX-RHSMWYFYSA-N 0 0 314.429 3.433 20 10 DGCDRN OC[C@@H]1Cc2ccccc2N(Cc2cccc(Cl)c2O)C1 ZINC000367788525 434556906 /nfs/dbraw/zinc/55/69/06/434556906.db2.gz BIDBPVNXHFEYAW-GFCCVEGCSA-N 0 0 303.789 3.217 20 10 DGCDRN CCc1nc([C@H]2CCCCN2Cc2cccc(OC)c2O)no1 ZINC000371405074 434693050 /nfs/dbraw/zinc/69/30/50/434693050.db2.gz XWEUCTYMESQTGW-CYBMUJFWSA-N 0 0 317.389 3.073 20 10 DGCDRN COc1ccc(N2CCC[N@H+](Cc3cnccc3C)CC2)cc1 ZINC000372191127 434809478 /nfs/dbraw/zinc/80/94/78/434809478.db2.gz GCGLXPRQAMGLJX-UHFFFAOYSA-N 0 0 311.429 3.111 20 10 DGCDRN Cc1ccncc1N(C)C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492622126 435024715 /nfs/dbraw/zinc/02/47/15/435024715.db2.gz WWGRGRDEKJAWNL-XQRVVYSFSA-N 0 0 315.304 3.114 20 10 DGCDRN COc1cncc(/C=C/C(=O)N(C)c2ccc(F)c(F)c2)c1 ZINC000492474958 434991879 /nfs/dbraw/zinc/99/18/79/434991879.db2.gz QAMVRQLQTVWUAA-ZZXKWVIFSA-N 0 0 304.296 3.045 20 10 DGCDRN CO[C@@H]1Cc2ccccc2N(C(=O)/C=C\c2cncc(C)c2)C1 ZINC000493282524 435140915 /nfs/dbraw/zinc/14/09/15/435140915.db2.gz GIIXMBMBVIJUKM-ZPUOCTKUSA-N 0 0 308.381 3.008 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCC1CC(F)(F)C1 ZINC000490411595 435656616 /nfs/dbraw/zinc/65/66/16/435656616.db2.gz MYNGFKDTCWRUJX-UHFFFAOYSA-N 0 0 321.371 3.331 20 10 DGCDRN O=C(/C=C\c1cncc(F)c1)N1C[C@@H]2CCCN2c2ccccc21 ZINC000491531688 435765268 /nfs/dbraw/zinc/76/52/68/435765268.db2.gz HXKKDEPRHOKHQF-PTZVLDCSSA-N 0 0 323.371 3.250 20 10 DGCDRN CO[C@@H](COc1ccc2c(c1)c(C)c(C)n2C)[C@H]1CCOC1 ZINC000664097935 436557086 /nfs/dbraw/zinc/55/70/86/436557086.db2.gz HWOURQVOZDOYEZ-KSSFIOAISA-N 0 0 303.402 3.225 20 10 DGCDRN COC[C@H](COc1ccc2c(c1)c1c(n2C)CCCC1)OC ZINC000664104026 436558733 /nfs/dbraw/zinc/55/87/33/436558733.db2.gz CMIUKYKDABLUNV-CQSZACIVSA-N 0 0 303.402 3.097 20 10 DGCDRN CN1CCCN(C(=O)/C=C\c2cncc(F)c2)c2ccccc21 ZINC000255324030 331732478 /nfs/dbraw/zinc/73/24/78/331732478.db2.gz PPGLCFJDWLZASH-FPLPWBNLSA-N 0 0 311.360 3.107 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH+]1CCC(CCCO)CC1 ZINC000293513244 335111206 /nfs/dbraw/zinc/11/12/06/335111206.db2.gz CHRJMJDWBLSAIU-UHFFFAOYSA-N 0 0 301.789 3.169 20 10 DGCDRN CCOC(=O)CCCCCSc1ncc(C(=O)OC)s1 ZINC000295155429 335132906 /nfs/dbraw/zinc/13/29/06/335132906.db2.gz FWBQZKKQPAWJCU-UHFFFAOYSA-N 0 0 317.432 3.145 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)[C@H]1CCCCO1 ZINC000272044857 334029905 /nfs/dbraw/zinc/02/99/05/334029905.db2.gz CWXXTTLTYACMAT-WMLDXEAASA-N 0 0 320.433 3.271 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCC1CCOCC1 ZINC000283684620 334140963 /nfs/dbraw/zinc/14/09/63/334140963.db2.gz NVLAARCYNJZKRG-UHFFFAOYSA-N 0 0 320.433 3.131 20 10 DGCDRN Oc1cc2c(cc1CNc1ccccc1OCCF)OCO2 ZINC000295139175 334219503 /nfs/dbraw/zinc/21/95/03/334219503.db2.gz PPODDSWSDOOKAF-UHFFFAOYSA-N 0 0 305.305 3.081 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(-c2cnco2)c1 ZINC000180953807 337178763 /nfs/dbraw/zinc/17/87/63/337178763.db2.gz PKOOHLJFNZOCPW-FNORWQNLSA-N 0 0 322.320 3.405 20 10 DGCDRN Cc1c2cc(OCc3nc(C4CC4)nn3C)ccc2n(C)c1C ZINC000582904480 337213651 /nfs/dbraw/zinc/21/36/51/337213651.db2.gz UWMJMUDHENXWHG-UHFFFAOYSA-N 0 0 310.401 3.380 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1COc2ccccc21 ZINC000548756817 341272576 /nfs/dbraw/zinc/27/25/76/341272576.db2.gz DTGBRNLXFIADNW-MRXNPFEDSA-N 0 0 320.392 3.279 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCCOCC1 ZINC000374025844 533720718 /nfs/dbraw/zinc/72/07/18/533720718.db2.gz ANFJWUNZTJXCOS-UHFFFAOYSA-N 0 0 304.415 3.018 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1CCCSC1 ZINC000355305321 533970546 /nfs/dbraw/zinc/97/05/46/533970546.db2.gz ZDQXUOJWOJPKAQ-CYBMUJFWSA-N 0 0 302.443 3.246 20 10 DGCDRN CC(C)(C(=O)NCCc1ccc(N)cc1)c1ccccc1F ZINC000236710042 518524435 /nfs/dbraw/zinc/52/44/35/518524435.db2.gz SNFYYWVLAYGCPF-UHFFFAOYSA-N 0 0 300.377 3.044 20 10 DGCDRN CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000179931198 519504824 /nfs/dbraw/zinc/50/48/24/519504824.db2.gz YYRLBKCNCQUNCQ-ZDUSSCGKSA-N 0 0 324.852 3.030 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCS1 ZINC000266620969 519655129 /nfs/dbraw/zinc/65/51/29/519655129.db2.gz ZIWSAIPUJDGBKQ-MRXNPFEDSA-N 0 0 306.475 3.385 20 10 DGCDRN CC(C)COc1ccccc1CNC(=O)Cc1ccc(N)cc1 ZINC000236651377 519765000 /nfs/dbraw/zinc/76/50/00/519765000.db2.gz NVZZDNFVUWZKGF-UHFFFAOYSA-N 0 0 312.413 3.163 20 10 DGCDRN CC/C=C(\C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000363615681 520188053 /nfs/dbraw/zinc/18/80/53/520188053.db2.gz OWSKSWRCBZGUQM-GIDUJCDVSA-N 0 0 302.418 3.090 20 10 DGCDRN CCCOc1ccc(CNc2nnc([C@H]3CCCO3)o2)c(O)c1 ZINC000181798301 520377771 /nfs/dbraw/zinc/37/77/71/520377771.db2.gz XFRGATQIAIJHKB-CQSZACIVSA-N 0 0 319.361 3.028 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cnn(CC(C)C)c1 ZINC000183259737 521690120 /nfs/dbraw/zinc/69/01/20/521690120.db2.gz SHSUORVYVPAQAM-UHFFFAOYSA-N 0 0 315.417 3.297 20 10 DGCDRN CCCN(Cc1cn(C(C)(C)C)nn1)Cc1ccccc1O ZINC000191290054 521691837 /nfs/dbraw/zinc/69/18/37/521691837.db2.gz RJSKHVAMQOERMR-UHFFFAOYSA-N 0 0 302.422 3.151 20 10 DGCDRN CNC(=O)c1ccc(COc2ccc(N3CCCC3)cc2)cc1 ZINC000187837404 521822502 /nfs/dbraw/zinc/82/25/02/521822502.db2.gz KSQJMZFGTUBQHN-UHFFFAOYSA-N 0 0 310.397 3.225 20 10 DGCDRN CC[C@H](C)[C@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000182370248 521911217 /nfs/dbraw/zinc/91/12/17/521911217.db2.gz UMRLELCZKKBZPK-GJZGRUSLSA-N 0 0 304.434 3.026 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)C2CCSCC2)C2CC2)cc1 ZINC000264807322 522160902 /nfs/dbraw/zinc/16/09/02/522160902.db2.gz BPECNNYZJVOBPV-UHFFFAOYSA-N 0 0 318.486 3.387 20 10 DGCDRN CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NCCc1ccc(N)cc1 ZINC000262573447 522862329 /nfs/dbraw/zinc/86/23/29/522862329.db2.gz GRPYEHLLYMGRRW-OLMNPRSZSA-N 0 0 318.461 3.301 20 10 DGCDRN CC[C@@H]1C[C@H](C(=O)NCc2ccc(N(CC)CC)cc2)CCO1 ZINC000183211136 523559160 /nfs/dbraw/zinc/55/91/60/523559160.db2.gz PTELHEHZJFVNOO-SJLPKXTDSA-N 0 0 318.461 3.354 20 10 DGCDRN COC(=O)[C@@H](NCc1cc(C)ccc1O)c1cc(C)cc(C)c1 ZINC000189635838 523632795 /nfs/dbraw/zinc/63/27/95/523632795.db2.gz TXGKJODUVNFPFF-SFHVURJKSA-N 0 0 313.397 3.321 20 10 DGCDRN CO[C@H](C)c1nc(CNCc2ccc(N(C)C)cc2)cs1 ZINC000267633533 523914828 /nfs/dbraw/zinc/91/48/28/523914828.db2.gz OQWIXDOCBCQRAW-GFCCVEGCSA-N 0 0 305.447 3.206 20 10 DGCDRN COc1cccc([C@@H](C)CC(=O)NCCc2ccc(N)cc2)c1 ZINC000237303140 524086478 /nfs/dbraw/zinc/08/64/78/524086478.db2.gz DOCNQGSBHSPHPG-AWEZNQCLSA-N 0 0 312.413 3.130 20 10 DGCDRN Cc1ccc(C)c(OCCC(=O)NCCc2ccc(N)cc2)c1 ZINC000237651643 524170889 /nfs/dbraw/zinc/17/08/89/524170889.db2.gz HJVKYWQBRTVGQG-UHFFFAOYSA-N 0 0 312.413 3.013 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(CCOC3)C2)cc1 ZINC000154573505 524217482 /nfs/dbraw/zinc/21/74/82/524217482.db2.gz JGPAKUUMXHFOGB-FQEVSTJZSA-N 0 0 324.424 3.347 20 10 DGCDRN Cc1ccc(CC(=O)NCc2ccc(N3CCCC3)cc2)cc1O ZINC000180315415 524264902 /nfs/dbraw/zinc/26/49/02/524264902.db2.gz GXCIXJAJGXUWTM-UHFFFAOYSA-N 0 0 324.424 3.160 20 10 DGCDRN COc1ccc(N(C)Cc2c(C)nn(C)c2Cl)c(OC)c1 ZINC000131913735 524353549 /nfs/dbraw/zinc/35/35/49/524353549.db2.gz DQMBYSHRQQYATQ-UHFFFAOYSA-N 0 0 309.797 3.036 20 10 DGCDRN COc1ccc(N(C[C@@H](O)CC(F)(F)F)C(C)C)cc1F ZINC000189646202 524366765 /nfs/dbraw/zinc/36/67/65/524366765.db2.gz YIUMAUHXPJBCAP-NSHDSACASA-N 0 0 309.303 3.362 20 10 DGCDRN COc1ccc(N(Cc2cn3cccnc3n2)C(C)C)cc1F ZINC000170653303 524368519 /nfs/dbraw/zinc/36/85/19/524368519.db2.gz BLCHNUIVGDNRTG-UHFFFAOYSA-N 0 0 314.364 3.292 20 10 DGCDRN C[C@@H](CC(=O)NCCc1ccc(N)cc1)Cc1cccc(F)c1 ZINC000237446743 524371783 /nfs/dbraw/zinc/37/17/83/524371783.db2.gz WOFUGPWTKFBXEN-CQSZACIVSA-N 0 0 314.404 3.336 20 10 DGCDRN C[C@@H](CC(=O)NCc1ccc(O)c(O)c1)Cc1cccc(F)c1 ZINC000182538526 524376174 /nfs/dbraw/zinc/37/61/74/524376174.db2.gz HQHYABOFCDAYKY-GFCCVEGCSA-N 0 0 317.360 3.122 20 10 DGCDRN C[C@H]1CCc2c(C(=O)NCc3ccc(O)c(O)c3)csc2C1 ZINC000159115616 524435509 /nfs/dbraw/zinc/43/55/09/524435509.db2.gz AQWOGMRHMNCAHO-JTQLQIEISA-N 0 0 317.410 3.214 20 10 DGCDRN COc1ccc(O)c(CN2CCO[C@H](c3ccccc3F)C2)c1 ZINC000180024361 524741366 /nfs/dbraw/zinc/74/13/66/524741366.db2.gz COPBMBARORTQFO-SFHVURJKSA-N 0 0 317.360 3.113 20 10 DGCDRN COc1ccc(O)c([C@@H](C)Nc2ccc(OC3COC3)cc2)c1 ZINC000188655831 524766909 /nfs/dbraw/zinc/76/69/09/524766909.db2.gz SIOVIHNANSDWAO-GFCCVEGCSA-N 0 0 315.369 3.352 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](C)c1ccccc1 ZINC000183426684 524892228 /nfs/dbraw/zinc/89/22/28/524892228.db2.gz HOWWJFPBKPAZOJ-KBPBESRZSA-N 0 0 313.397 3.339 20 10 DGCDRN Cc1ccc(NCc2ccccc2O)cc1-c1nnnn1C1CC1 ZINC000184343574 525283144 /nfs/dbraw/zinc/28/31/44/525283144.db2.gz SGONUSZNXXOYKO-UHFFFAOYSA-N 0 0 321.384 3.301 20 10 DGCDRN Cc1ccc(O)c([C@H](C)Nc2ccc(OCCC(N)=O)cc2)c1 ZINC000192719901 525365915 /nfs/dbraw/zinc/36/59/15/525365915.db2.gz NVYYUVTVFPNKGE-ZDUSSCGKSA-N 0 0 314.385 3.128 20 10 DGCDRN Cc1nc(-c2ccccn2)nc(N(C)Cc2ccccc2O)c1C ZINC000302672855 534864798 /nfs/dbraw/zinc/86/47/98/534864798.db2.gz SGNGGJFWQYHNFH-UHFFFAOYSA-N 0 0 320.396 3.497 20 10 DGCDRN CC(C)(C)OC(=O)NC1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC000272282753 534871109 /nfs/dbraw/zinc/87/11/09/534871109.db2.gz MVUNPIVFCIPFDJ-UHFFFAOYSA-N 0 0 324.396 3.020 20 10 DGCDRN C[C@@H](Nc1ccc(OC2COC2)cc1)c1cc(F)ccc1O ZINC000188645939 525710395 /nfs/dbraw/zinc/71/03/95/525710395.db2.gz VIRIUQPURNYBMB-LLVKDONJSA-N 0 0 303.333 3.482 20 10 DGCDRN COc1cccc(CNC(=O)C(C)(C)c2ccc(C)cc2)c1O ZINC000131285482 525963469 /nfs/dbraw/zinc/96/34/69/525963469.db2.gz NGXCICZOXYMCKG-UHFFFAOYSA-N 0 0 313.397 3.303 20 10 DGCDRN COc1cccc(CNC(=O)NC2[C@@H](C)CCC[C@@H]2C)c1O ZINC000175819223 525985830 /nfs/dbraw/zinc/98/58/30/525985830.db2.gz AMELHMVQRKZJDB-RYUDHWBXSA-N 0 0 306.406 3.025 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1O ZINC000180925962 526185159 /nfs/dbraw/zinc/18/51/59/526185159.db2.gz DWHSGEHYKSIPIF-UHFFFAOYSA-N 0 0 310.397 3.231 20 10 DGCDRN Cc1cc(C(=O)N(C)[C@H]2CCSC2)c(C)n1-c1ccccn1 ZINC000162583965 526229079 /nfs/dbraw/zinc/22/90/79/526229079.db2.gz NOQVSKJQSQKXPM-AWEZNQCLSA-N 0 0 315.442 3.067 20 10 DGCDRN Oc1ccc(Cl)c(F)c1CNc1cnc2c(c1)COCC2 ZINC000365053864 526347374 /nfs/dbraw/zinc/34/73/74/526347374.db2.gz PWXKHFRMQHQXFQ-UHFFFAOYSA-N 0 0 308.740 3.265 20 10 DGCDRN Oc1ccc(F)cc1CN1CCO[C@H](c2cccc(F)c2)C1 ZINC000180060194 526349865 /nfs/dbraw/zinc/34/98/65/526349865.db2.gz KAVSDPDXIYSZPH-KRWDZBQOSA-N 0 0 305.324 3.244 20 10 DGCDRN Cc1csc([C@@H]2COCCN2Cc2cc(C)c(C)cc2O)n1 ZINC000190411988 526425749 /nfs/dbraw/zinc/42/57/49/526425749.db2.gz YSEFQQJIBIRVNB-HNNXBMFYSA-N 0 0 318.442 3.347 20 10 DGCDRN Cc1noc(C)c1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000266361728 526544170 /nfs/dbraw/zinc/54/41/70/526544170.db2.gz AREGKAOIGGPTSD-UHFFFAOYSA-N 0 0 315.373 3.198 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000182516387 526686474 /nfs/dbraw/zinc/68/64/74/526686474.db2.gz YXPOYPCNDYMSDO-RBSFLKMASA-N 0 0 303.402 3.321 20 10 DGCDRN Cc1nc2c(s1)[C@H](N(C)C(=O)Cc1ccc(N)cc1)CCC2 ZINC000237264592 527109492 /nfs/dbraw/zinc/10/94/92/527109492.db2.gz GREHULVECSWGNP-OAHLLOKOSA-N 0 0 315.442 3.112 20 10 DGCDRN Nc1ccc(CCNC(=O)C[C@H]2CCCc3ccccc32)cc1 ZINC000237937302 527479207 /nfs/dbraw/zinc/47/92/07/527479207.db2.gz IVLANUPGMDWWES-QGZVFWFLSA-N 0 0 308.425 3.438 20 10 DGCDRN Nc1ccc(CCNC(=O)[C@@H]2SCCc3sccc32)cc1 ZINC000237943105 527481415 /nfs/dbraw/zinc/48/14/15/527481415.db2.gz GTNWMODJFLNSSC-OAHLLOKOSA-N 0 0 318.467 3.020 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000189932909 527565553 /nfs/dbraw/zinc/56/55/53/527565553.db2.gz SHGIKIZEQRPOHV-TVQRCGJNSA-N 0 0 304.217 3.340 20 10 DGCDRN CCC1(CC)CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000297426859 529068428 /nfs/dbraw/zinc/06/84/28/529068428.db2.gz YVUSAWWXYFKYGK-UHFFFAOYSA-N 0 0 313.445 3.394 20 10 DGCDRN CC(C)[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000272524738 535017510 /nfs/dbraw/zinc/01/75/10/535017510.db2.gz WDGVJYMTPYAWBO-KRWDZBQOSA-N 0 0 304.434 3.123 20 10 DGCDRN CCCCCn1c2ccccc2nc1SCC(=O)C(C)=O ZINC000288968230 535147345 /nfs/dbraw/zinc/14/73/45/535147345.db2.gz UGMBJQLVHNIJDT-UHFFFAOYSA-N 0 0 304.415 3.477 20 10 DGCDRN CCC1(C(=O)NCc2ccc(N3CCCC3)cc2)CCOCC1 ZINC000272289839 535249796 /nfs/dbraw/zinc/24/97/96/535249796.db2.gz PHJYSLXIHLBJCI-UHFFFAOYSA-N 0 0 316.445 3.110 20 10 DGCDRN CC(C)c1[nH]ccc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000285320047 535315571 /nfs/dbraw/zinc/31/55/71/535315571.db2.gz WOQAEOQNGCNNMH-UHFFFAOYSA-N 0 0 303.381 3.273 20 10 DGCDRN CCN(C(=O)/C=C\c1cncc(F)c1)c1ccc(OC)cc1 ZINC000491519264 535657738 /nfs/dbraw/zinc/65/77/38/535657738.db2.gz ICIYTSVXRFRXJE-WTKPLQERSA-N 0 0 300.333 3.296 20 10 DGCDRN CC[C@H]([NH2+]CCCC(=O)N(CC)CC)c1ccc(F)cc1[O-] ZINC000285887348 535900405 /nfs/dbraw/zinc/90/04/05/535900405.db2.gz ZVWYSKGYVCVVPF-HNNXBMFYSA-N 0 0 310.413 3.221 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccc(F)cc1[O-] ZINC000285524856 535935528 /nfs/dbraw/zinc/93/55/28/535935528.db2.gz BHIWLCYARCEWNN-BJJXKVORSA-N 0 0 322.424 3.219 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc(F)cc1[O-] ZINC000286080791 535937591 /nfs/dbraw/zinc/93/75/91/535937591.db2.gz LNOVCNOFXXNVIF-ZBFHGGJFSA-N 0 0 315.392 3.246 20 10 DGCDRN COC(=O)COc1ccc(N(C)CCCCC(F)(F)F)cc1 ZINC000273039747 536478423 /nfs/dbraw/zinc/47/84/23/536478423.db2.gz DQLLEIJYAIKHNM-UHFFFAOYSA-N 0 0 319.323 3.407 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC[C@@H]2CCO[C@@H](C)C2)c1 ZINC000273497784 536793357 /nfs/dbraw/zinc/79/33/57/536793357.db2.gz YDPKNCDVIDSWEI-MELADBBJSA-N 0 0 321.417 3.035 20 10 DGCDRN COc1ccc(O)c(C(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000471236886 536820209 /nfs/dbraw/zinc/82/02/09/536820209.db2.gz XOTUYBQWUSPWTE-UHFFFAOYSA-N 0 0 324.380 3.131 20 10 DGCDRN COCCc1ccnc(NCc2ccc(N(C)C)c(F)c2)c1 ZINC000285315993 536830431 /nfs/dbraw/zinc/83/04/31/536830431.db2.gz WCFUVRNWMFXFIZ-UHFFFAOYSA-N 0 0 303.381 3.088 20 10 DGCDRN COc1ccc(-n2c(C)cc(C(=O)O[C@H]3CCOC3)c2C)cc1 ZINC000730402800 574528659 /nfs/dbraw/zinc/52/86/59/574528659.db2.gz XGLBYXNFZXLCAZ-INIZCTEOSA-N 0 0 315.369 3.048 20 10 DGCDRN Cc1cc(C(=O)NCc2cocn2)c(C)n1-c1ccccc1C ZINC000730802662 574536252 /nfs/dbraw/zinc/53/62/52/574536252.db2.gz DUFUDGCDYYOCJL-UHFFFAOYSA-N 0 0 309.369 3.321 20 10 DGCDRN C[C@H]1CCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000731120983 574543913 /nfs/dbraw/zinc/54/39/13/574543913.db2.gz JMFMNXRMWUAAGW-INIZCTEOSA-N 0 0 315.461 3.474 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCCc1ccc(C)o1 ZINC000731281120 574546341 /nfs/dbraw/zinc/54/63/41/574546341.db2.gz TZZORSPEASOUEW-UHFFFAOYSA-N 0 0 316.401 3.458 20 10 DGCDRN Cc1cc(C(=O)N(C)Cc2ncc[nH]2)c(C)n1-c1ccccc1C ZINC000731856753 574560441 /nfs/dbraw/zinc/56/04/41/574560441.db2.gz VEDJOSQXEMQZAC-UHFFFAOYSA-N 0 0 322.412 3.398 20 10 DGCDRN CC(C)c1ccc(OCCNC(=O)C2=CC(=O)CS2)cc1 ZINC000731871981 574560667 /nfs/dbraw/zinc/56/06/67/574560667.db2.gz SUMYGVGNNFRPJG-UHFFFAOYSA-N 0 0 305.399 3.386 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCc2cc(Br)ccc21 ZINC000731871400 574560754 /nfs/dbraw/zinc/56/07/54/574560754.db2.gz JRFWJUKPFJYHIG-UHFFFAOYSA-N 0 0 324.199 3.419 20 10 DGCDRN O=C(NCc1ccc(Br)s1)C1=CC(=O)CS1 ZINC000731868839 574561412 /nfs/dbraw/zinc/56/14/12/574561412.db2.gz ZJHNNHNMMFVOCR-UHFFFAOYSA-N 0 0 318.217 3.208 20 10 DGCDRN COc1ccc([C@@H](NC(=O)C2=CC(=O)CS2)C2CC2)cc1 ZINC000731868714 574561482 /nfs/dbraw/zinc/56/14/82/574561482.db2.gz QSYXLHCTOGLFES-HNNXBMFYSA-N 0 0 303.383 3.343 20 10 DGCDRN CCc1ccc(C(=O)[C@H](C)OC(=O)C2=CC(=O)CS2)cc1 ZINC000731910652 574561807 /nfs/dbraw/zinc/56/18/07/574561807.db2.gz VDIWTVNOQHKLOO-JTQLQIEISA-N 0 0 304.367 3.444 20 10 DGCDRN CCc1ccc(NC(=O)[C@@H](C)OC(=O)C2=CC(=O)CS2)cc1 ZINC000731910963 574561839 /nfs/dbraw/zinc/56/18/39/574561839.db2.gz XPOUBOYAWJDTNW-SNVBAGLBSA-N 0 0 319.382 3.200 20 10 DGCDRN Cc1ccc(NC(=O)[C@H](C)OC(=O)C2=CC(=O)CS2)c(C)c1 ZINC000731909652 574561970 /nfs/dbraw/zinc/56/19/70/574561970.db2.gz HTZCVCZMFJJIMP-NSHDSACASA-N 0 0 319.382 3.255 20 10 DGCDRN CC(C)OCc1ccccc1CNC(=O)C1=CC(=O)CS1 ZINC000732267775 574569532 /nfs/dbraw/zinc/56/95/32/574569532.db2.gz VNDWTYDOWWGYMB-UHFFFAOYSA-N 0 0 305.399 3.309 20 10 DGCDRN CCN(Cc1ccc(OC)cc1OC)C(=O)C1=CC(=O)CS1 ZINC000732268283 574569622 /nfs/dbraw/zinc/56/96/22/574569622.db2.gz FXHGRALLCQFLQA-UHFFFAOYSA-N 0 0 321.398 3.133 20 10 DGCDRN COc1cc(C)c([C@@H](C)NC(=O)C2=CC(=O)CS2)cc1OC ZINC000732269616 574569711 /nfs/dbraw/zinc/56/97/11/574569711.db2.gz GKRMNNAKBFYUIN-SNVBAGLBSA-N 0 0 321.398 3.270 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C2=CC(=O)CS2)cc1 ZINC000732273023 574570007 /nfs/dbraw/zinc/57/00/07/574570007.db2.gz ILUSJQSPPNATHZ-UHFFFAOYSA-N 0 0 304.415 3.230 20 10 DGCDRN Cc1ccc2c(CCNC(=O)C3=CC(=O)CS3)c[nH]c2c1 ZINC000732281601 574570468 /nfs/dbraw/zinc/57/04/68/574570468.db2.gz SBWWKJZRBXVYSG-UHFFFAOYSA-N 0 0 300.383 3.216 20 10 DGCDRN C[C@H]1CCC[C@@H](OCC(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000732936193 574588736 /nfs/dbraw/zinc/58/87/36/574588736.db2.gz SJZBVADWGKKVQU-DZGCQCFKSA-N 0 0 322.424 3.103 20 10 DGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)C1CCSCC1 ZINC000732959160 574589510 /nfs/dbraw/zinc/58/95/10/574589510.db2.gz SANQPQWQGFNPTB-UHFFFAOYSA-N 0 0 318.486 3.436 20 10 DGCDRN CC[C@@H](OC1CCCC1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000733090565 574595810 /nfs/dbraw/zinc/59/58/10/574595810.db2.gz MHFYDMDTHHVSMY-QGZVFWFLSA-N 0 0 304.434 3.107 20 10 DGCDRN CO[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C(F)(F)F ZINC000733329603 574616657 /nfs/dbraw/zinc/61/66/57/574616657.db2.gz WEHSDGUGMGBBFK-SECBINFHSA-N 0 0 318.122 3.366 20 10 DGCDRN CC(C)C[C@H]1COCC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000733789599 574637580 /nfs/dbraw/zinc/63/75/80/574637580.db2.gz XTJHUAXRHIJGIU-HNNXBMFYSA-N 0 0 300.402 3.187 20 10 DGCDRN O=C(NCCCSc1nccs1)c1scnc1Cl ZINC000733975188 574645398 /nfs/dbraw/zinc/64/53/98/574645398.db2.gz ZCPQJPOZXNEJEJ-UHFFFAOYSA-N 0 0 319.864 3.165 20 10 DGCDRN Cc1cc(C(=O)N(C)Cc2cn[nH]c2)c(C)n1-c1ccccc1C ZINC000733981965 574646702 /nfs/dbraw/zinc/64/67/02/574646702.db2.gz ZCNPOHRDRXESOM-UHFFFAOYSA-N 0 0 322.412 3.398 20 10 DGCDRN CCOc1cccc(C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000734406536 574659989 /nfs/dbraw/zinc/65/99/89/574659989.db2.gz UKMYBVJHVIIAKF-UHFFFAOYSA-N 0 0 312.413 3.390 20 10 DGCDRN C[C@H](NC(=O)[C@@H](C)C(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000734390265 574660364 /nfs/dbraw/zinc/66/03/64/574660364.db2.gz QEOXETLSZYURBQ-CABCVRRESA-N 0 0 318.461 3.383 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000734942815 574682894 /nfs/dbraw/zinc/68/28/94/574682894.db2.gz QFOPJQTYXSFJMS-FZMZJTMJSA-N 0 0 318.323 3.026 20 10 DGCDRN S=C(NNc1ccccc1Cl)Nc1ccc2c(c1)OCO2 ZINC000735233889 574693499 /nfs/dbraw/zinc/69/34/99/574693499.db2.gz VOFGDEFRTDKOQJ-UHFFFAOYSA-N 0 0 321.789 3.382 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1nonc1C ZINC000735817718 574717299 /nfs/dbraw/zinc/71/72/99/574717299.db2.gz DLSLGTDBKQPLBJ-UHFFFAOYSA-N 0 0 324.384 3.024 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1csc2cncn21 ZINC000735857886 574718198 /nfs/dbraw/zinc/71/81/98/574718198.db2.gz UILRRPHRUCKDIE-UHFFFAOYSA-N 0 0 315.398 3.154 20 10 DGCDRN Cc1cc(C(=O)NCc2nonc2C)c(C)n1-c1ccccc1C ZINC000735929038 574722183 /nfs/dbraw/zinc/72/21/83/574722183.db2.gz UQHWPOQNKCAFDI-UHFFFAOYSA-N 0 0 324.384 3.024 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1 ZINC000739922385 574915823 /nfs/dbraw/zinc/91/58/23/574915823.db2.gz JVPDAMGUVLCIAC-HDMKZQKVSA-N 0 0 318.461 3.462 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)NCc2ccccc2C)cc1 ZINC000739923229 574915946 /nfs/dbraw/zinc/91/59/46/574915946.db2.gz ZSZIAWRYPFJEHY-UHFFFAOYSA-N 0 0 312.413 3.146 20 10 DGCDRN CCc1ccc(CC(=O)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000741551528 574962552 /nfs/dbraw/zinc/96/25/52/574962552.db2.gz FSWCVAMFQLNZEY-UHFFFAOYSA-N 0 0 314.404 3.313 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2Cc3ccccc32)cc1 ZINC000741907733 574975827 /nfs/dbraw/zinc/97/58/27/574975827.db2.gz WMUBNLWZCQVTBP-IBGZPJMESA-N 0 0 308.425 3.489 20 10 DGCDRN COc1ccc([N+](=O)[O-])c(NCc2ccc(N(C)C)cc2)c1 ZINC000742390086 574995708 /nfs/dbraw/zinc/99/57/08/574995708.db2.gz HRDHPOXBWMKCNN-UHFFFAOYSA-N 0 0 301.346 3.282 20 10 DGCDRN Cc1cnc(NCc2c(O)ccc3c2CCCC3)c([N+](=O)[O-])c1 ZINC000742430292 574999713 /nfs/dbraw/zinc/99/97/13/574999713.db2.gz OUJUZNROGBTAEL-UHFFFAOYSA-N 0 0 313.357 3.495 20 10 DGCDRN O=C(CCc1cccnc1)NCc1ccc(N2CCCCC2)cc1 ZINC000742475763 575002193 /nfs/dbraw/zinc/00/21/93/575002193.db2.gz MXKWSIVXJJTRSH-UHFFFAOYSA-N 0 0 323.440 3.321 20 10 DGCDRN O=C(/C=C/c1cccnc1)NCc1ccc(N2CCCCC2)cc1 ZINC000742476198 575002199 /nfs/dbraw/zinc/00/21/99/575002199.db2.gz NEHOEBHITZFUPO-DHZHZOJOSA-N 0 0 321.424 3.402 20 10 DGCDRN Cc1cc(F)cc(C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000742685162 575012830 /nfs/dbraw/zinc/01/28/30/575012830.db2.gz YIZXWQHXUHPTBL-UHFFFAOYSA-N 0 0 300.377 3.439 20 10 DGCDRN Cc1ncc(C[NH2+]Cc2cc(C)ccc2O)n1-c1ccccc1 ZINC000742709620 575014102 /nfs/dbraw/zinc/01/41/02/575014102.db2.gz KZYLLDQUZGCJDK-UHFFFAOYSA-N 0 0 307.397 3.485 20 10 DGCDRN COc1cccc(C[NH2+]Cc2cnc(C)n2-c2ccccc2)c1O ZINC000742709450 575014175 /nfs/dbraw/zinc/01/41/75/575014175.db2.gz GNHQJBJUSQFBTQ-UHFFFAOYSA-N 0 0 323.396 3.185 20 10 DGCDRN CCc1cc(NC(=O)NCc2c(O)ccc3c2CCCC3)no1 ZINC000743181608 575037904 /nfs/dbraw/zinc/03/79/04/575037904.db2.gz SBTOQHDRENYHCW-UHFFFAOYSA-N 0 0 315.373 3.143 20 10 DGCDRN O=C(NCc1ccccc1O)c1cccc(-c2cscn2)c1 ZINC000743328804 575043298 /nfs/dbraw/zinc/04/32/98/575043298.db2.gz VOHBZLBLGIVYOR-UHFFFAOYSA-N 0 0 310.378 3.446 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(C(C)(C)C)on2)c1 ZINC000743335121 575043626 /nfs/dbraw/zinc/04/36/26/575043626.db2.gz MWTSQPXNQOVOAG-JTQLQIEISA-N 0 0 318.373 3.177 20 10 DGCDRN COc1cccc(CNC(=O)[C@@H](C)c2cccc(Cl)c2)c1O ZINC000743332138 575043775 /nfs/dbraw/zinc/04/37/75/575043775.db2.gz MKRTVIIEFMMEIT-NSHDSACASA-N 0 0 319.788 3.474 20 10 DGCDRN O=C(Nc1ccc(N2CCSCC2)cc1)C1=CC(=O)CS1 ZINC000743502426 575054762 /nfs/dbraw/zinc/05/47/62/575054762.db2.gz AJGPXWLKZNVKHS-UHFFFAOYSA-N 0 0 320.439 3.259 20 10 DGCDRN O=[N+]([O-])c1cc(CNCc2ccco2)ccc1N1CCCCC1 ZINC000743503727 575054883 /nfs/dbraw/zinc/05/48/83/575054883.db2.gz LOAKZLUPIRWTEP-UHFFFAOYSA-N 0 0 315.373 3.468 20 10 DGCDRN CSCC[C@H](C)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743620697 575058950 /nfs/dbraw/zinc/05/89/50/575058950.db2.gz CLVFQEARBRDFDA-LBPRGKRZSA-N 0 0 322.474 3.212 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CC[C@@H](SC)C2)c1 ZINC000743680300 575060770 /nfs/dbraw/zinc/06/07/70/575060770.db2.gz CHDUJBCNSBSAHM-GMXVVIOVSA-N 0 0 324.446 3.045 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CC[C@@H](SC)C2)c1 ZINC000743680299 575060812 /nfs/dbraw/zinc/06/08/12/575060812.db2.gz CHDUJBCNSBSAHM-DMDPSCGWSA-N 0 0 324.446 3.045 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1c[nH]c2ncccc12 ZINC000743716892 575062216 /nfs/dbraw/zinc/06/22/16/575062216.db2.gz OJAVDUXSORBLFU-UHFFFAOYSA-N 0 0 321.380 3.077 20 10 DGCDRN CCC[C@@](C)(O)CNC(=O)c1sccc1-n1c(C)ccc1C ZINC000743771491 575063112 /nfs/dbraw/zinc/06/31/12/575063112.db2.gz FJNWGHBMRNSIJT-QGZVFWFLSA-N 0 0 320.458 3.437 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C)c(OC)c2)c1 ZINC000728979736 575199015 /nfs/dbraw/zinc/19/90/15/575199015.db2.gz LIAFIUSKIWKKQD-LBPRGKRZSA-N 0 0 315.369 3.209 20 10 DGCDRN CCCCS[C@@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000729277627 575231510 /nfs/dbraw/zinc/23/15/10/575231510.db2.gz FTQUKJLYDYTAIO-RYUDHWBXSA-N 0 0 311.447 3.500 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2cnc(C3CC3)s2)cc1 ZINC000729306325 575233234 /nfs/dbraw/zinc/23/32/34/575233234.db2.gz WSYQHAJUOTWKKK-UHFFFAOYSA-N 0 0 315.442 3.359 20 10 DGCDRN Cc1ccc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)cc1 ZINC000738594494 575236231 /nfs/dbraw/zinc/23/62/31/575236231.db2.gz OLCPHCXZVLVSQQ-UHFFFAOYSA-N 0 0 319.788 3.441 20 10 DGCDRN CCCN(CCC)C(=O)CN(CC)c1ccc(OC)c(OC)c1 ZINC000729473478 575250796 /nfs/dbraw/zinc/25/07/96/575250796.db2.gz GMQBBDZYDOIEHX-UHFFFAOYSA-N 0 0 322.449 3.179 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C)c(C)c2O)c1 ZINC000729534771 575254658 /nfs/dbraw/zinc/25/46/58/575254658.db2.gz CVQFAVRGBRWEBJ-GFCCVEGCSA-N 0 0 315.369 3.214 20 10 DGCDRN Cc1noc([C@@H](C)NCc2ccc(N3CCCCC3)cc2)n1 ZINC000729683968 575260317 /nfs/dbraw/zinc/26/03/17/575260317.db2.gz IEGWGPPVHSRKTB-CYBMUJFWSA-N 0 0 300.406 3.219 20 10 DGCDRN COc1cccc(CNC(=O)c2cc3cccc(C)c3o2)c1O ZINC000729858635 575264825 /nfs/dbraw/zinc/26/48/25/575264825.db2.gz AJUIFXIKCFPGOU-UHFFFAOYSA-N 0 0 311.337 3.385 20 10 DGCDRN Cc1cc(O)c(CN2C[C@@H](C)O[C@@H](C(F)(F)F)C2)cc1C ZINC000744442040 575343334 /nfs/dbraw/zinc/34/33/34/575343334.db2.gz DDQKJZDCSDZIMI-BXUZGUMPSA-N 0 0 303.324 3.161 20 10 DGCDRN CC(C)C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000744451759 575344294 /nfs/dbraw/zinc/34/42/94/575344294.db2.gz VTPYGEGZYOPXNQ-MRXNPFEDSA-N 0 0 303.450 3.330 20 10 DGCDRN C[C@@H]1CC[C@H](C)CN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000745788455 575417679 /nfs/dbraw/zinc/41/76/79/575417679.db2.gz KWRZHZXDKCEBBT-LSDHHAIUSA-N 0 0 315.461 3.399 20 10 DGCDRN CCN(CC(=O)N([C@H](C)C1CC1)C1CC1)c1ccc(OC)cc1 ZINC000746108001 575432855 /nfs/dbraw/zinc/43/28/55/575432855.db2.gz UVEOQPXCBVINEI-CQSZACIVSA-N 0 0 316.445 3.311 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)C2CCC(=O)CC2)C2CC2)cc1 ZINC000746117758 575433637 /nfs/dbraw/zinc/43/36/37/575433637.db2.gz JRCKSINQAMSGLY-UHFFFAOYSA-N 0 0 314.429 3.003 20 10 DGCDRN CCOc1ccc(N(CC)Cc2nnnn2-c2ccccc2)cc1 ZINC000746159147 575437027 /nfs/dbraw/zinc/43/70/27/575437027.db2.gz PNFODZSKGKOKBB-UHFFFAOYSA-N 0 0 323.400 3.088 20 10 DGCDRN Cc1cc(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)on1 ZINC000746429262 575452580 /nfs/dbraw/zinc/45/25/80/575452580.db2.gz CSSNNTFGAQQQDV-UHFFFAOYSA-N 0 0 323.396 3.363 20 10 DGCDRN Cc1cc(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)no1 ZINC000746426314 575452802 /nfs/dbraw/zinc/45/28/02/575452802.db2.gz NRVHLRMYBXGPQV-UHFFFAOYSA-N 0 0 323.396 3.363 20 10 DGCDRN CCOc1ccc(SCC(=O)N(C)c2ccc(N)cc2)cc1 ZINC000746477686 575454642 /nfs/dbraw/zinc/45/46/42/575454642.db2.gz RXQIMIGXYLRWSL-UHFFFAOYSA-N 0 0 316.426 3.423 20 10 DGCDRN CCN(CC(=O)N(C)Cc1cccs1)c1ccc(OC)cc1 ZINC000746664190 575467686 /nfs/dbraw/zinc/46/76/86/575467686.db2.gz YOXQVYNMSRDIHV-UHFFFAOYSA-N 0 0 318.442 3.242 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cc(F)cc(F)c2)cc1F ZINC000746798634 575475823 /nfs/dbraw/zinc/47/58/23/575475823.db2.gz ZYXWTGAXASINLD-UHFFFAOYSA-N 0 0 308.303 3.100 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)C3=C(C)CCC3)CC2)cc1 ZINC000746822571 575477159 /nfs/dbraw/zinc/47/71/59/575477159.db2.gz RHDSQHGXANEGMS-UHFFFAOYSA-N 0 0 314.429 3.234 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cc3ccsc3[nH]2)cc1F ZINC000746864414 575480444 /nfs/dbraw/zinc/48/04/44/575480444.db2.gz IWQLZTIOPDDRLX-UHFFFAOYSA-N 0 0 317.389 3.365 20 10 DGCDRN CCc1ncsc1NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000747376284 575515004 /nfs/dbraw/zinc/51/50/04/575515004.db2.gz UGMBQRCXRWWCFJ-VIFPVBQESA-N 0 0 321.402 3.302 20 10 DGCDRN CCN(Cc1cc(C(=O)OC)oc1C)c1ccc(OC)cc1 ZINC000747452553 575518833 /nfs/dbraw/zinc/51/88/33/575518833.db2.gz IWGFXQBNQVIQFW-UHFFFAOYSA-N 0 0 303.358 3.410 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000748326065 575581025 /nfs/dbraw/zinc/58/10/25/575581025.db2.gz XKFIBVCTPWOSEB-UHFFFAOYSA-N 0 0 321.720 3.276 20 10 DGCDRN O=C(NCc1ccccc1O)c1cc(-c2ccccc2F)on1 ZINC000748345248 575581185 /nfs/dbraw/zinc/58/11/85/575581185.db2.gz AUGDHPUGZJJDGW-UHFFFAOYSA-N 0 0 312.300 3.116 20 10 DGCDRN Cc1nc(-c2ccccc2)[nH]c1C(=O)NCc1ccccc1O ZINC000748345375 575581408 /nfs/dbraw/zinc/58/14/08/575581408.db2.gz AXSUDXWTSAKTEU-UHFFFAOYSA-N 0 0 307.353 3.021 20 10 DGCDRN O=C(NCc1ccccc1O)C1(c2ccc(Cl)cc2)CC1 ZINC000748353580 575582483 /nfs/dbraw/zinc/58/24/83/575582483.db2.gz BEMVWFPNAZMNBD-UHFFFAOYSA-N 0 0 301.773 3.394 20 10 DGCDRN Cc1ncc(C(=O)NCc2ccc(N3CCCCC3)cc2)s1 ZINC000748727186 575603071 /nfs/dbraw/zinc/60/30/71/575603071.db2.gz DYKMLEVLBQVDAL-UHFFFAOYSA-N 0 0 315.442 3.372 20 10 DGCDRN CCc1ccc(O)c(C(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000748842031 575610805 /nfs/dbraw/zinc/61/08/05/575610805.db2.gz VBQRBTAQSDFELO-UHFFFAOYSA-N 0 0 316.376 3.090 20 10 DGCDRN COC[C@@H](C)NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000749330823 575645326 /nfs/dbraw/zinc/64/53/26/575645326.db2.gz ARSUWEMSZMIRMV-CQSZACIVSA-N 0 0 314.429 3.476 20 10 DGCDRN Cc1cc(C(=O)NCc2c[nH]cn2)c(C)n1-c1cc(C)cc(C)c1 ZINC000749537601 575663738 /nfs/dbraw/zinc/66/37/38/575663738.db2.gz DMFSQUJADLEUEO-UHFFFAOYSA-N 0 0 322.412 3.364 20 10 DGCDRN CO[C@@H](C)CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000749564373 575665041 /nfs/dbraw/zinc/66/50/41/575665041.db2.gz YUQRAZAACDSBDI-HNNXBMFYSA-N 0 0 304.434 3.060 20 10 DGCDRN COc1ccc(N(Cc2cccs2)C[C@H]2COCCO2)cc1 ZINC000751030721 575767773 /nfs/dbraw/zinc/76/77/73/575767773.db2.gz RDKNRXODTSXMMT-INIZCTEOSA-N 0 0 319.426 3.179 20 10 DGCDRN Cn1nncc1/C=C(/Cl)c1nc2cc(Cl)ccc2n1C ZINC000751032544 575768362 /nfs/dbraw/zinc/76/83/62/575768362.db2.gz QOFACUUVCUNQNP-UXBLZVDNSA-N 0 0 308.172 3.092 20 10 DGCDRN O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)C1=CC(=O)CS1 ZINC000751070249 575770150 /nfs/dbraw/zinc/77/01/50/575770150.db2.gz RCLTUXSXSNSSSS-NSHDSACASA-N 0 0 322.817 3.116 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)CC[C@H]2CCOC2)cc1 ZINC000751224583 575776051 /nfs/dbraw/zinc/77/60/51/575776051.db2.gz MWFGAROEEGEHTM-KRWDZBQOSA-N 0 0 318.461 3.308 20 10 DGCDRN C/C=C(\C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000751371621 575781968 /nfs/dbraw/zinc/78/19/68/575781968.db2.gz XVVHEPVGLKQMLA-KGVSQERTSA-N 0 0 324.371 3.339 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC2C(C)(C)C2(C)C)c1 ZINC000752021022 575818363 /nfs/dbraw/zinc/81/83/63/575818363.db2.gz WHIASFPMSUASFB-JTQLQIEISA-N 0 0 306.406 3.196 20 10 DGCDRN CCC[C@H](O)CC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000752088204 575822328 /nfs/dbraw/zinc/82/23/28/575822328.db2.gz VYFIAEZOINSBMB-HNNXBMFYSA-N 0 0 317.385 3.065 20 10 DGCDRN CO[C@H](C)c1nc(CNCc2cc(Cl)ccc2O)cs1 ZINC000752266466 575829747 /nfs/dbraw/zinc/82/97/47/575829747.db2.gz QTOBWPQFSXGUOZ-SECBINFHSA-N 0 0 312.822 3.499 20 10 DGCDRN Cc1ccc([C@@H](C)C(=O)NCc2ccc(N(C)C)cc2C)o1 ZINC000742685151 575898264 /nfs/dbraw/zinc/89/82/64/575898264.db2.gz YCYLWSMARUVDIT-CQSZACIVSA-N 0 0 300.402 3.382 20 10 DGCDRN Oc1ccc(-c2ccccc2)cc1C[NH2+]CCCn1ccnc1 ZINC000725841385 575926766 /nfs/dbraw/zinc/92/67/66/575926766.db2.gz CZYFXMNVVSWLEZ-UHFFFAOYSA-N 0 0 307.397 3.436 20 10 DGCDRN Cc1ccc2c(CC(=O)NCc3ccc(N(C)C)cc3)c[nH]c2c1 ZINC000726140141 576007624 /nfs/dbraw/zinc/00/76/24/576007624.db2.gz ZHIIZRPQMKSISF-UHFFFAOYSA-N 0 0 321.424 3.401 20 10 DGCDRN COc1ccc(NC(=S)N(C)Cc2ccccc2O)cc1F ZINC000726468233 576023841 /nfs/dbraw/zinc/02/38/41/576023841.db2.gz AYMWPJHFMNDHAF-UHFFFAOYSA-N 0 0 320.389 3.369 20 10 DGCDRN CC(C)c1nc(C(=O)NCc2ccc(N(C)C)c(F)c2)cs1 ZINC000726505277 576029179 /nfs/dbraw/zinc/02/91/79/576029179.db2.gz WCTSVAXPEFRGNB-UHFFFAOYSA-N 0 0 321.421 3.402 20 10 DGCDRN CCOCc1cccc(NC(=O)NCc2ccccc2O)c1 ZINC000726697058 576037438 /nfs/dbraw/zinc/03/74/38/576037438.db2.gz BCMORJGBXSPVQP-UHFFFAOYSA-N 0 0 300.358 3.250 20 10 DGCDRN CN(C)c1ccc(C[N@H+](C)C[C@H]2COc3ccccc3O2)cc1 ZINC000726981090 576091144 /nfs/dbraw/zinc/09/11/44/576091144.db2.gz MTCAICNSGHCYDU-KRWDZBQOSA-N 0 0 312.413 3.024 20 10 DGCDRN CN(C)c1ccc(C[N@H+](C)C[C@@H]2COc3ccccc3O2)cc1 ZINC000726981091 576091398 /nfs/dbraw/zinc/09/13/98/576091398.db2.gz MTCAICNSGHCYDU-QGZVFWFLSA-N 0 0 312.413 3.024 20 10 DGCDRN Cc1ccc(C(=O)OCCO[C@@H]2CCCC[C@@H]2C)c(O)c1O ZINC000727004063 576093849 /nfs/dbraw/zinc/09/38/49/576093849.db2.gz MBUFOYVZWIXESH-SMDDNHRTSA-N 0 0 308.374 3.158 20 10 DGCDRN CN(C)c1ccc(CNCc2nn(C)c3ccccc23)cc1F ZINC000727468712 576128289 /nfs/dbraw/zinc/12/82/89/576128289.db2.gz MZICDCREYXMGEU-UHFFFAOYSA-N 0 0 312.392 3.068 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C(C)(C)c2ccc(F)cc2)cc1 ZINC000728460590 576182984 /nfs/dbraw/zinc/18/29/84/576182984.db2.gz QKQGVGIHIXGTMU-UHFFFAOYSA-N 0 0 314.404 3.486 20 10 DGCDRN Cc1ccc(Cl)c(OCC(=O)N(C)Cc2ccccc2O)c1 ZINC000917307014 620663914 /nfs/dbraw/zinc/66/39/14/620663914.db2.gz BLLQGCZDHRLFFY-UHFFFAOYSA-N 0 0 319.788 3.391 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCC[C@@H]1CCCO1 ZINC000917485183 620670301 /nfs/dbraw/zinc/67/03/01/620670301.db2.gz AJEOHTFWXXNIHS-AWEZNQCLSA-N 0 0 318.442 3.455 20 10 DGCDRN COc1ccc(/C=C\C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000917524473 620671742 /nfs/dbraw/zinc/67/17/42/620671742.db2.gz ADFMQCDVUQOTTL-ZROIWOOFSA-N 0 0 324.424 3.433 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)O[C@@H](C)c1nc[nH]n1 ZINC000853218507 620678516 /nfs/dbraw/zinc/67/85/16/620678516.db2.gz ORCYXOQMOQIHHG-NSHDSACASA-N 0 0 316.386 3.192 20 10 DGCDRN Cc1cc(NCc2ccc(N3CCOCC3)c(F)c2)ccc1N ZINC000853249757 620682089 /nfs/dbraw/zinc/68/20/89/620682089.db2.gz IFUCCKJJCSSHHN-UHFFFAOYSA-N 0 0 315.392 3.165 20 10 DGCDRN C[C@@H]1C[C@H](C)CN(C(=O)NCCCSc2nccs2)C1 ZINC000154593752 620690996 /nfs/dbraw/zinc/69/09/96/620690996.db2.gz MBLYNGIUBGIZHA-TXEJJXNPSA-N 0 0 313.492 3.313 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C1/COc2ccc(F)cc21 ZINC000918156377 620699630 /nfs/dbraw/zinc/69/96/30/620699630.db2.gz OUNUMIRGQFNTLT-OWBHPGMISA-N 0 0 318.373 3.045 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2C[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000853719238 620728929 /nfs/dbraw/zinc/72/89/29/620728929.db2.gz KTKARXUTJGQPOB-VTLBSYCISA-N 0 0 316.357 3.160 20 10 DGCDRN COc1ccc(N2CC[C@H](Nc3ccnc(C4CC4)n3)C2)cc1 ZINC000853759229 620734483 /nfs/dbraw/zinc/73/44/83/620734483.db2.gz PTURZRAVUFBUNH-AWEZNQCLSA-N 0 0 310.401 3.053 20 10 DGCDRN COc1ccc(N2CC[C@@H](Nc3ccc(Cl)cn3)C2)cc1 ZINC000853759056 620734497 /nfs/dbraw/zinc/73/44/97/620734497.db2.gz OHKCGXCJNAMLME-CYBMUJFWSA-N 0 0 303.793 3.434 20 10 DGCDRN COc1ccc(N2CC[C@@H](Nc3nnc(C(C)C)s3)C2)cc1 ZINC000853759120 620734290 /nfs/dbraw/zinc/73/42/90/620734290.db2.gz PLLZWCRLYRMIMR-GFCCVEGCSA-N 0 0 318.446 3.361 20 10 DGCDRN COc1ccc(N2CC[C@@H](Nc3nc(C4CCC4)no3)C2)cc1 ZINC000853760683 620734958 /nfs/dbraw/zinc/73/49/58/620734958.db2.gz NNWSHZYGPMZSBC-CYBMUJFWSA-N 0 0 314.389 3.037 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1cccc(Cl)c1[O-] ZINC000806161954 617632138 /nfs/dbraw/zinc/63/21/38/617632138.db2.gz PSUSJKMNNIKJIK-TVQRCGJNSA-N 0 0 321.812 3.169 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1cnn(C(C)(C)C)c1 ZINC000154926288 620740119 /nfs/dbraw/zinc/74/01/19/620740119.db2.gz KXJBHSRQNAFJDJ-UHFFFAOYSA-N 0 0 314.433 3.103 20 10 DGCDRN Cc1cc(C(=O)NCc2cccc(Cl)c2O)nn1C(C)(C)C ZINC000890757887 617656008 /nfs/dbraw/zinc/65/60/08/617656008.db2.gz LXCHDPBYGFFIGG-UHFFFAOYSA-N 0 0 321.808 3.236 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1cc2c(s1)CCOC2 ZINC000890760167 617656333 /nfs/dbraw/zinc/65/63/33/617656333.db2.gz KNZKAVNBKUVGGY-UHFFFAOYSA-N 0 0 323.801 3.110 20 10 DGCDRN C[C@@H]1C(=O)CC[C@H](C(=O)NCc2cccc(Cl)c2O)C1(C)C ZINC000890760051 617656479 /nfs/dbraw/zinc/65/64/79/617656479.db2.gz ZJXDDPGJXDHBSQ-ZYHUDNBSSA-N 0 0 323.820 3.303 20 10 DGCDRN Cc1nc(CC(C)C)oc1C(=O)NCc1cccc(Cl)c1O ZINC000890759371 617656620 /nfs/dbraw/zinc/65/66/20/617656620.db2.gz KJTFMWPWAUJPHJ-UHFFFAOYSA-N 0 0 322.792 3.471 20 10 DGCDRN CCOCCC1(C(=O)NCc2cccc(Cl)c2O)CCC1 ZINC000890760725 617657066 /nfs/dbraw/zinc/65/70/66/617657066.db2.gz XXYAFCKVOKNPDF-UHFFFAOYSA-N 0 0 311.809 3.259 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1scnc1C1CC1 ZINC000890760403 617657159 /nfs/dbraw/zinc/65/71/59/617657159.db2.gz QWRZWCQZKQGQAI-UHFFFAOYSA-N 0 0 308.790 3.310 20 10 DGCDRN Cc1nc(CCC(=O)NCc2cccc(Cl)c2O)cs1 ZINC000890760797 617657301 /nfs/dbraw/zinc/65/73/01/617657301.db2.gz ZAFINHIOJVQUNQ-UHFFFAOYSA-N 0 0 310.806 3.060 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@]12CCO[C@@H]1CCCC2 ZINC000890763496 617659210 /nfs/dbraw/zinc/65/92/10/617659210.db2.gz XABPBDKSVXTGGK-CZUORRHYSA-N 0 0 309.793 3.011 20 10 DGCDRN CC(F)(F)CCC(=O)NCc1cc(Br)ccc1O ZINC000804734395 617661914 /nfs/dbraw/zinc/66/19/14/617661914.db2.gz IYKZDHXSJXVBKA-UHFFFAOYSA-N 0 0 322.149 3.206 20 10 DGCDRN Cc1cccc(C(=O)NCc2cc(Br)ccc2O)c1 ZINC000804737596 617661920 /nfs/dbraw/zinc/66/19/20/617661920.db2.gz MMECBAHOFRYGPF-UHFFFAOYSA-N 0 0 320.186 3.393 20 10 DGCDRN O=C(NCc1cc(Br)ccc1O)[C@H]1CC=CCC1 ZINC000804739346 617662597 /nfs/dbraw/zinc/66/25/97/617662597.db2.gz WSESGMNNLGPBRP-JTQLQIEISA-N 0 0 310.191 3.127 20 10 DGCDRN O=[N+]([O-])c1cccnc1NCc1cc(Br)ccc1O ZINC000804827560 617680187 /nfs/dbraw/zinc/68/01/87/617680187.db2.gz AQELAMUPQUFWLY-UHFFFAOYSA-N 0 0 324.134 3.070 20 10 DGCDRN CC[C@H]([NH2+][C@H]1CCN(C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806137095 617746489 /nfs/dbraw/zinc/74/64/89/617746489.db2.gz GVSXAQAOJQKATQ-GWCFXTLKSA-N 0 0 303.233 3.444 20 10 DGCDRN Cc1cc(CC(=O)OCC(=O)C(F)F)c(C)n1-c1ccccc1 ZINC000853935267 620754361 /nfs/dbraw/zinc/75/43/61/620754361.db2.gz YDBVYQOJEIYECH-UHFFFAOYSA-N 0 0 321.323 3.014 20 10 DGCDRN OC1CCN(c2ccc(CNc3cc4cc[nH]c4cn3)cc2)CC1 ZINC000853955388 620756939 /nfs/dbraw/zinc/75/69/39/620756939.db2.gz MRXLRKAYQJBQDN-UHFFFAOYSA-N 0 0 322.412 3.136 20 10 DGCDRN CCc1nn(C)c(Sc2ncc(Cl)s2)c1[N+](=O)[O-] ZINC000853965504 620757959 /nfs/dbraw/zinc/75/79/59/620757959.db2.gz YERJZZRVJUDKDQ-UHFFFAOYSA-N 0 0 304.784 3.152 20 10 DGCDRN COc1cc(Br)cc(CNc2ncccc2C)c1O ZINC000130967495 617886544 /nfs/dbraw/zinc/88/65/44/617886544.db2.gz XHWPOQZFPQIEJM-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN CCOCc1nc(C)cc(N[C@@H](C)c2cc(OC)ccc2O)n1 ZINC000892331086 618028827 /nfs/dbraw/zinc/02/88/27/618028827.db2.gz RPQLXSOGVUEQSN-LBPRGKRZSA-N 0 0 317.389 3.209 20 10 DGCDRN Cc1cc(C(=O)N[C@H]2CC23CC(O)C3)c(C)n1-c1ccccc1C ZINC000888974579 618034164 /nfs/dbraw/zinc/03/41/64/618034164.db2.gz HHPCLPXIYWWWHY-VDUSKEEQSA-N 0 0 324.424 3.046 20 10 DGCDRN COc1ccc(CNc2ccc(C)cc2OC)c(O)c1OC ZINC000892342011 618035594 /nfs/dbraw/zinc/03/55/94/618035594.db2.gz HYRUCDYFYSKUJV-UHFFFAOYSA-N 0 0 303.358 3.339 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@]12C[C@H]1CCC2 ZINC000919919032 620772137 /nfs/dbraw/zinc/77/21/37/620772137.db2.gz URYFKRDQAJIWHH-APWZRJJASA-N 0 0 311.429 3.052 20 10 DGCDRN CO[C@@H]1CCC[C@H]1OC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000111972640 620777414 /nfs/dbraw/zinc/77/74/14/620777414.db2.gz ACVRGJHQQWVLQI-HZPDHXFCSA-N 0 0 314.385 3.213 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(F)cc1[O-] ZINC000840886937 618131672 /nfs/dbraw/zinc/13/16/72/618131672.db2.gz OJTCTNQNZGEGNQ-SCRDCRAPSA-N 0 0 303.324 3.121 20 10 DGCDRN CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000840889238 618141016 /nfs/dbraw/zinc/14/10/16/618141016.db2.gz FRMJOAALPSYFBA-IUCAKERBSA-N 0 0 319.232 3.263 20 10 DGCDRN CC(C)(C)SCCNC(=O)NCc1cccc(Cl)c1O ZINC000892704216 618143151 /nfs/dbraw/zinc/14/31/51/618143151.db2.gz HUVLIWFDXSNXOD-UHFFFAOYSA-N 0 0 316.854 3.377 20 10 DGCDRN CCC[C@@H](C)N(C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854300874 620792469 /nfs/dbraw/zinc/79/24/69/620792469.db2.gz CHRNECNNIQWNNR-CABCVRRESA-N 0 0 319.449 3.104 20 10 DGCDRN CN(C)c1ccc(/C=C/C[NH2+]CC2(C(=O)[O-])CCCC2)cc1 ZINC000854243033 620787843 /nfs/dbraw/zinc/78/78/43/620787843.db2.gz VLAWABYQTPWFMC-AATRIKPKSA-N 0 0 302.418 3.000 20 10 DGCDRN Cc1cc(C(=O)OCC2CCOCC2)c(C)n1-c1ccccn1 ZINC000112152377 620794772 /nfs/dbraw/zinc/79/47/72/620794772.db2.gz WWOGCUXVOCWZMW-UHFFFAOYSA-N 0 0 314.385 3.073 20 10 DGCDRN COc1cc(C)cc(CNc2ccc3c(c2)NC(=O)CC3)c1O ZINC000894410020 618315543 /nfs/dbraw/zinc/31/55/43/618315543.db2.gz JGXQJUYGTYPKFT-UHFFFAOYSA-N 0 0 312.369 3.206 20 10 DGCDRN COc1cc(C)cc(CNc2ccc3c(c2)C[C@H](OC)C3)c1O ZINC000894446238 618336060 /nfs/dbraw/zinc/33/60/60/618336060.db2.gz UDRTUUFBDDOTBV-QGZVFWFLSA-N 0 0 313.397 3.435 20 10 DGCDRN COc1ccc(C[N@H+](C)C2CCC(F)(F)CC2)c(O)c1OC ZINC000894517577 618367865 /nfs/dbraw/zinc/36/78/65/618367865.db2.gz LKQDRVAQUUNGDN-UHFFFAOYSA-N 0 0 315.360 3.419 20 10 DGCDRN C[N@H+](CCCCO)Cc1cc(Cl)cc(Br)c1[O-] ZINC000894538845 618377288 /nfs/dbraw/zinc/37/72/88/618377288.db2.gz NHYDZKWSCVWFSM-UHFFFAOYSA-N 0 0 322.630 3.012 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)NC[C@H]1CCC(F)(F)C1 ZINC000894561565 618382856 /nfs/dbraw/zinc/38/28/56/618382856.db2.gz PBYJBPOLKQPMAC-VIFPVBQESA-N 0 0 318.751 3.280 20 10 DGCDRN CN(C)c1ccc(CN(C)Cc2ncc[nH]2)c(C(F)(F)F)c1 ZINC000894586729 618395244 /nfs/dbraw/zinc/39/52/44/618395244.db2.gz TZNXVJPNOYCPSB-UHFFFAOYSA-N 0 0 312.339 3.127 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH+]1CCC(c2cccnc2)CC1 ZINC000894765440 618452860 /nfs/dbraw/zinc/45/28/60/618452860.db2.gz HYPXOISAFYQCDP-UHFFFAOYSA-N 0 0 304.340 3.445 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCO[C@@H]1CCCCO1 ZINC000894800298 618460283 /nfs/dbraw/zinc/46/02/83/618460283.db2.gz SVHTXPQSIAIWQM-CYBMUJFWSA-N 0 0 320.216 3.332 20 10 DGCDRN CC[C@@H](NC(=O)NCc1cccc(Cl)c1O)c1ccncc1 ZINC000893174612 618460418 /nfs/dbraw/zinc/46/04/18/618460418.db2.gz DPURTLPKLYEHKZ-CQSZACIVSA-N 0 0 319.792 3.391 20 10 DGCDRN Cc1ccc(NC(=S)NCCc2ccc(O)c(O)c2)cc1F ZINC000018918624 618494146 /nfs/dbraw/zinc/49/41/46/618494146.db2.gz ULMCMVBWDGFJOW-UHFFFAOYSA-N 0 0 320.389 3.074 20 10 DGCDRN CCN1C(=O)/C(=C\c2nc3c(s2)CCCC3)SC1=S ZINC000776263302 618523395 /nfs/dbraw/zinc/52/33/95/618523395.db2.gz RJKHGXMPVRVFGH-JXMROGBWSA-N 0 0 310.469 3.243 20 10 DGCDRN CC(C)COC(=O)CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000776578717 618529810 /nfs/dbraw/zinc/52/98/10/618529810.db2.gz HWJCFIDFTXQQOE-UHFFFAOYSA-N 0 0 306.450 3.162 20 10 DGCDRN CC(C)[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C1(CO)CC=CC1 ZINC000895083348 618532768 /nfs/dbraw/zinc/53/27/68/618532768.db2.gz DJFAWSUZIYYJSG-MRXNPFEDSA-N 0 0 311.372 3.113 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000895280739 618586213 /nfs/dbraw/zinc/58/62/13/618586213.db2.gz ZSWVOFIGTMJENT-LRDDRELGSA-N 0 0 311.372 3.452 20 10 DGCDRN O=C(NCCCSc1nccs1)N1CC[C@@H]2CCC[C@@H]21 ZINC000893645773 618629514 /nfs/dbraw/zinc/62/95/14/618629514.db2.gz MNYWEDTVQYHDTR-RYUDHWBXSA-N 0 0 311.476 3.209 20 10 DGCDRN CO[C@@](C)([C@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F)C1CC1 ZINC000840961125 618639417 /nfs/dbraw/zinc/63/94/17/618639417.db2.gz QRFOYZVOVOKVOF-VFZGTOFNSA-N 0 0 301.789 3.478 20 10 DGCDRN C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1cc(F)cc(F)c1[O-] ZINC000893900365 618671950 /nfs/dbraw/zinc/67/19/50/618671950.db2.gz FLBUDBLRJHGKFT-UHFFFAOYSA-N 0 0 321.323 3.074 20 10 DGCDRN C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(F)cc(F)c1[O-] ZINC000893912118 618674929 /nfs/dbraw/zinc/67/49/29/618674929.db2.gz RUZAIVVVRSMEDA-UHFFFAOYSA-N 0 0 307.296 3.031 20 10 DGCDRN COc1cc(C)cc(CN2CCCC[C@H]2c2ncc[nH]2)c1O ZINC000893987264 618690702 /nfs/dbraw/zinc/69/07/02/618690702.db2.gz QDMQSDDZKSMAEQ-AWEZNQCLSA-N 0 0 301.390 3.160 20 10 DGCDRN C[N@H+](Cc1cc(F)cc(F)c1[O-])[C@@H](CCO)c1ccccc1 ZINC000894025965 618696459 /nfs/dbraw/zinc/69/64/59/618696459.db2.gz AVLAREAZHCMQCL-INIZCTEOSA-N 0 0 307.340 3.226 20 10 DGCDRN COc1cc(NCc2cc(C)cc(OC)c2O)cc(OC)c1 ZINC000894115442 618713486 /nfs/dbraw/zinc/71/34/86/618713486.db2.gz QDPXMDUNJDUWEU-UHFFFAOYSA-N 0 0 303.358 3.339 20 10 DGCDRN COCc1nccc(N[C@@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000894217587 618732382 /nfs/dbraw/zinc/73/23/82/618732382.db2.gz AIUQUEGDEGRGSC-AWEZNQCLSA-N 0 0 314.433 3.041 20 10 DGCDRN CC(C)[C@@H](O)C1(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000790991413 618732688 /nfs/dbraw/zinc/73/26/88/618732688.db2.gz WWIMKTYGLHFUFS-CQSZACIVSA-N 0 0 301.789 3.071 20 10 DGCDRN C[C@@H](NC(=O)N1CCC=C(Cl)C1)c1ccc(N(C)C)cc1 ZINC000894285098 618752170 /nfs/dbraw/zinc/75/21/70/618752170.db2.gz JAHPDBFLJXQLMW-GFCCVEGCSA-N 0 0 307.825 3.352 20 10 DGCDRN CCc1ccc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)nc1 ZINC000881210651 625290817 /nfs/dbraw/zinc/29/08/17/625290817.db2.gz WOYRWGBTDKZION-NSHDSACASA-N 0 0 315.373 3.241 20 10 DGCDRN Cc1nc(C(C)(C)NC(=O)Nc2ccc(N)cc2)sc1C ZINC000841299390 618790174 /nfs/dbraw/zinc/79/01/74/618790174.db2.gz BYAAQWSUDNOWCM-UHFFFAOYSA-N 0 0 304.419 3.399 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)C[C@H]2CCC3(CCC3)O2)cc1 ZINC000895484918 618792189 /nfs/dbraw/zinc/79/21/89/618792189.db2.gz CUBAKIZZXIXYQK-QGZVFWFLSA-N 0 0 316.445 3.203 20 10 DGCDRN CCN(CCNC(=O)Nc1ccc(N)cc1)c1cccc(C)c1 ZINC000841301870 618805224 /nfs/dbraw/zinc/80/52/24/618805224.db2.gz GVAGQVHDXWASAZ-UHFFFAOYSA-N 0 0 312.417 3.225 20 10 DGCDRN Cc1cccc(CNc2cccc([C@@]3(C)COC(=O)N3)c2)c1O ZINC000895639537 618811472 /nfs/dbraw/zinc/81/14/72/618811472.db2.gz LFTJBQSWKXAQKW-GOSISDBHSA-N 0 0 312.369 3.268 20 10 DGCDRN O=C(NC[C@@H]1CC=CCC1)c1cc2cc(O)c(O)cc2s1 ZINC000895902665 618847730 /nfs/dbraw/zinc/84/77/30/618847730.db2.gz JKTAVCGODVZUBH-SNVBAGLBSA-N 0 0 303.383 3.399 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccn(CC(C)C)n1 ZINC000896056070 618867712 /nfs/dbraw/zinc/86/77/12/618867712.db2.gz BEYVIIWIRDHTNZ-UHFFFAOYSA-N 0 0 315.417 3.297 20 10 DGCDRN [O-]c1cccc(F)c1C[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000896636598 618939340 /nfs/dbraw/zinc/93/93/40/618939340.db2.gz CJUFNGXVOSPIPJ-UHFFFAOYSA-N 0 0 317.360 3.373 20 10 DGCDRN [O-]c1cccc(F)c1C[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000896639908 618939692 /nfs/dbraw/zinc/93/96/92/618939692.db2.gz ZEYQCMVGAILXKS-CQSZACIVSA-N 0 0 300.377 3.147 20 10 DGCDRN Cn1cc(C[NH2+]Cc2c([O-])cccc2F)c(C2CCCC2)n1 ZINC000896641558 618940299 /nfs/dbraw/zinc/94/02/99/618940299.db2.gz MLQPHQSEHMJNEZ-UHFFFAOYSA-N 0 0 303.381 3.212 20 10 DGCDRN C[C@H]1C[C@@H](NC(=O)NCc2cccc(Cl)c2O)CCS1 ZINC000896706560 618946574 /nfs/dbraw/zinc/94/65/74/618946574.db2.gz VDSBEXCLHRFPBY-ONGXEEELSA-N 0 0 314.838 3.129 20 10 DGCDRN Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000896843201 618968724 /nfs/dbraw/zinc/96/87/24/618968724.db2.gz ZSRJFHUPIYYBNH-UHFFFAOYSA-N 0 0 319.714 3.088 20 10 DGCDRN CCOC1CC(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000788967185 625308668 /nfs/dbraw/zinc/30/86/68/625308668.db2.gz QJUGANXKCIVTSJ-TUBUQKNSSA-N 0 0 304.434 3.135 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCC(C)(C)C2CC2)c1 ZINC000896991863 618997640 /nfs/dbraw/zinc/99/76/40/618997640.db2.gz FIRYAWCHEPWQHT-NSHDSACASA-N 0 0 306.406 3.197 20 10 DGCDRN C[C@@H](NC(=O)NCC[C@@H]1CCC(C)(C)CO1)c1ccccc1O ZINC000897094057 619015224 /nfs/dbraw/zinc/01/52/24/619015224.db2.gz GOWCGSUWSIOFRJ-KGLIPLIRSA-N 0 0 320.433 3.348 20 10 DGCDRN COc1c([O-])c(C[NH2+]CC2CCC=CCC2)ccc1[N+](=O)[O-] ZINC000897244369 619035998 /nfs/dbraw/zinc/03/59/98/619035998.db2.gz FCURJVQQPAOZFE-UHFFFAOYSA-N 0 0 306.362 3.145 20 10 DGCDRN C[C@@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)C(F)F ZINC000881283071 625312245 /nfs/dbraw/zinc/31/22/45/625312245.db2.gz WEDZVZIDTAFYRD-LLVKDONJSA-N 0 0 324.327 3.351 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1ccn(C2CCCCC2)n1 ZINC000928707590 619059553 /nfs/dbraw/zinc/05/95/53/619059553.db2.gz FVRJAZBNZXXAFP-UHFFFAOYSA-N 0 0 317.364 3.163 20 10 DGCDRN CC(C)Oc1cccc(CC(=O)NCc2c(O)cccc2F)c1 ZINC000928712630 619060427 /nfs/dbraw/zinc/06/04/27/619060427.db2.gz UVSHMHFCGNBRDM-UHFFFAOYSA-N 0 0 317.360 3.177 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1c2ccccc2CC[C@H]1O ZINC000897339442 619064481 /nfs/dbraw/zinc/06/44/81/619064481.db2.gz IFGDOLXNELSBTO-WBVHZDCISA-N 0 0 321.779 3.323 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC[C@H]1CCCC[C@H]1O ZINC000897535779 619150731 /nfs/dbraw/zinc/15/07/31/619150731.db2.gz DUJWJGLIZTVRPS-ZWNOBZJWSA-N 0 0 301.789 3.216 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC[C@H]1CCCC[C@H]1O ZINC000897536334 619151108 /nfs/dbraw/zinc/15/11/08/619151108.db2.gz JONOUSYQXBDDBM-QMTHXVAHSA-N 0 0 301.789 3.216 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1CCOC12CCCCC2)c1ccccc1O ZINC000897643621 619170073 /nfs/dbraw/zinc/17/00/73/619170073.db2.gz XFKNVGKZHGKBTM-CZUORRHYSA-N 0 0 318.417 3.244 20 10 DGCDRN Cc1cc(C)c2c(N)c(C(=O)OC[C@H]3CC[C@H](C)O3)sc2n1 ZINC000789010099 625324366 /nfs/dbraw/zinc/32/43/66/625324366.db2.gz AQAKNBGMZWNYGT-WDEREUQCSA-N 0 0 320.414 3.220 20 10 DGCDRN Oc1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897822742 619185593 /nfs/dbraw/zinc/18/55/93/619185593.db2.gz ISMDUEKNPLROGE-YSDSKTICSA-N 0 0 307.393 3.325 20 10 DGCDRN CCN(CC)c1ccc(CNC2(c3nc(C)no3)CC2)cc1F ZINC000897897817 619193011 /nfs/dbraw/zinc/19/30/11/619193011.db2.gz LSBMPLHQANRGIV-UHFFFAOYSA-N 0 0 318.396 3.142 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1CN1CCC([NH2+]C2CCC2)CC1 ZINC000897982974 619203133 /nfs/dbraw/zinc/20/31/33/619203133.db2.gz TXXKOULAIUSKLF-UHFFFAOYSA-N 0 0 312.816 3.291 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC[C@H](Cc3nccs3)C2)ccc(F)c1F ZINC000898069663 619212190 /nfs/dbraw/zinc/21/21/90/619212190.db2.gz ZRYDYBIOWFDEJO-SNVBAGLBSA-N 0 0 310.369 3.192 20 10 DGCDRN COc1cc(C)cc(C[NH2+]Cc2cccc(Cl)c2[O-])c1O ZINC000898215810 619222391 /nfs/dbraw/zinc/22/23/91/619222391.db2.gz RDIDAOULCZFWKF-UHFFFAOYSA-N 0 0 307.777 3.358 20 10 DGCDRN CCOc1cccc(C[NH2+]Cc2cccc(Cl)c2[O-])c1O ZINC000898219399 619222895 /nfs/dbraw/zinc/22/28/95/619222895.db2.gz GDOOECNEXSZEAF-UHFFFAOYSA-N 0 0 307.777 3.440 20 10 DGCDRN CCN(CC)c1ccc(CN(C)Cc2nn(C)cc2C)cc1 ZINC000929185641 619244565 /nfs/dbraw/zinc/24/45/65/619244565.db2.gz WOXDYYJXJQFEPC-UHFFFAOYSA-N 0 0 300.450 3.207 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H](CC(C)C)OC)cc1 ZINC000841065915 619258287 /nfs/dbraw/zinc/25/82/87/619258287.db2.gz UYYJYPXFXUQEIF-KRWDZBQOSA-N 0 0 306.450 3.210 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1ccc(F)cc1[O-] ZINC000927108665 619266620 /nfs/dbraw/zinc/26/66/20/619266620.db2.gz SGFGZFNMMYTNOP-OAHLLOKOSA-N 0 0 303.381 3.383 20 10 DGCDRN O=C(NCC[C@@H]1CC1(F)F)c1cc2cc(O)c(O)cc2s1 ZINC000899043507 619308059 /nfs/dbraw/zinc/30/80/59/619308059.db2.gz YTKJBZFRDAYJHY-MRVPVSSYSA-N 0 0 313.325 3.088 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)NC/C=C/Cl)C2CC2)cc1 ZINC000899055697 619309060 /nfs/dbraw/zinc/30/90/60/619309060.db2.gz PTJIHGQGBMVIKB-XCVCLJGOSA-N 0 0 307.825 3.179 20 10 DGCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000899177252 619316932 /nfs/dbraw/zinc/31/69/32/619316932.db2.gz PSUHWQINAHVONH-PHIMTYICSA-N 0 0 315.394 3.351 20 10 DGCDRN COc1ccc(/C=C2\SC(=S)N(C3CC3)C2=O)c(C)c1 ZINC000899260438 619323649 /nfs/dbraw/zinc/32/36/49/619323649.db2.gz GZWKWOQHSXBZAM-JYRVWZFOSA-N 0 0 305.424 3.367 20 10 DGCDRN Nc1ccc(OCc2cn(CCCCC(F)(F)F)nn2)cc1 ZINC000881343757 625342011 /nfs/dbraw/zinc/34/20/11/625342011.db2.gz MARATRJZVWOGOI-UHFFFAOYSA-N 0 0 314.311 3.172 20 10 DGCDRN COc1ccccc1-c1cn(Cc2ccc(N(C)C)c(C)c2)nn1 ZINC000900571382 619437379 /nfs/dbraw/zinc/43/73/79/619437379.db2.gz NVQGTYLVVURESN-UHFFFAOYSA-N 0 0 322.412 3.376 20 10 DGCDRN CCCCc1nc(C)c(CC(=O)NCc2ccccc2O)s1 ZINC000901124814 619473230 /nfs/dbraw/zinc/47/32/30/619473230.db2.gz OZSTXQZUXMQREW-UHFFFAOYSA-N 0 0 318.442 3.359 20 10 DGCDRN COCc1c(C)cc(C)c(C=C2SC(=S)NC2=O)c1C ZINC000901415841 619498182 /nfs/dbraw/zinc/49/81/82/619498182.db2.gz ALKBKZFJGAQYMY-MLPAPPSSSA-N 0 0 307.440 3.247 20 10 DGCDRN O=S(=O)(Nc1cc(F)c(O)cc1Cl)C1=CCCCC1 ZINC000901962184 619568385 /nfs/dbraw/zinc/56/83/85/619568385.db2.gz BQCZVNMMHJJHTI-UHFFFAOYSA-N 0 0 305.758 3.384 20 10 DGCDRN Cc1nc(-c2ccnc(NCc3ccc(N(C)C)cc3C)c2)n[nH]1 ZINC000902151675 619596242 /nfs/dbraw/zinc/59/62/42/619596242.db2.gz WFHYOUPGOREZNS-UHFFFAOYSA-N 0 0 322.416 3.162 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OCc3noc4c3COCC4)cc12 ZINC000902753518 619670254 /nfs/dbraw/zinc/67/02/54/619670254.db2.gz MLKLKLDEBBFLGM-UHFFFAOYSA-N 0 0 312.369 3.435 20 10 DGCDRN Cc1cc(CN[C@H](C)c2cn(C)nn2)c(C)n1-c1ccccc1 ZINC000903068983 619714659 /nfs/dbraw/zinc/71/46/59/619714659.db2.gz AOPMILBQPOIEMA-CQSZACIVSA-N 0 0 309.417 3.073 20 10 DGCDRN C[C@@H]([NH2+][C@@H](CO)CCc1ccccc1)c1ccc(F)cc1[O-] ZINC000903292691 619752004 /nfs/dbraw/zinc/75/20/04/619752004.db2.gz KODBRKXWDVFGEG-CZUORRHYSA-N 0 0 303.377 3.176 20 10 DGCDRN O=C(N1Cc2cccc(O)c2C1)[C@@]1(c2ccccc2)C[C@H](F)C1 ZINC000881428610 625368679 /nfs/dbraw/zinc/36/86/79/625368679.db2.gz HSURSJYCKCUGOR-RHDGDCLCSA-N 0 0 311.356 3.304 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(CCO)cc1)c1ccc(Cl)cc1O ZINC000903402667 619773950 /nfs/dbraw/zinc/77/39/50/619773950.db2.gz FMNNCKURXHDZQM-GFCCVEGCSA-N 0 0 305.805 3.431 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(CCO)cc1)c1cc(F)cc(F)c1[O-] ZINC000903403479 619774303 /nfs/dbraw/zinc/77/43/03/619774303.db2.gz RALOKULOEJHCQQ-LLVKDONJSA-N 0 0 307.340 3.056 20 10 DGCDRN C[C@H]([NH2+][C@@H]1COC[C@H]1C1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000903438371 619775163 /nfs/dbraw/zinc/77/51/63/619775163.db2.gz UMNSQAUVHVLQKP-DUFXMDAXSA-N 0 0 315.335 3.487 20 10 DGCDRN C[C@@H]1CCC[C@H](C2CN(C(=O)c3c(F)ccc(O)c3O)C2)C1 ZINC000881442871 625377070 /nfs/dbraw/zinc/37/70/70/625377070.db2.gz QZWCBEBOUPVSLT-MNOVXSKESA-N 0 0 307.365 3.135 20 10 DGCDRN Nc1ccc2c(c1)C[N@@H+](Cc1cccc(Cl)c1[O-])CCO2 ZINC000903943725 619842158 /nfs/dbraw/zinc/84/21/58/619842158.db2.gz AUFOTAXDRWGRTK-UHFFFAOYSA-N 0 0 304.777 3.022 20 10 DGCDRN C[C@@H]1CCC[C@@H](C2CN(C(=O)c3c(F)ccc(O)c3O)C2)C1 ZINC000881442870 625376893 /nfs/dbraw/zinc/37/68/93/625376893.db2.gz QZWCBEBOUPVSLT-GHMZBOCLSA-N 0 0 307.365 3.135 20 10 DGCDRN O=C(NC12CCC(CC1)C2)c1cc2cc(O)c(O)cc2s1 ZINC000907337030 620149887 /nfs/dbraw/zinc/14/98/87/620149887.db2.gz YCPSSKRWZYJSAY-UHFFFAOYSA-N 0 0 303.383 3.375 20 10 DGCDRN Clc1ccc(NCc2ccc(N3CCOCC3)cc2)cn1 ZINC000149461006 620173542 /nfs/dbraw/zinc/17/35/42/620173542.db2.gz MMYFIADIYWXZBA-UHFFFAOYSA-N 0 0 303.793 3.184 20 10 DGCDRN CCc1nc(C(C)C)ccc1C(=O)NCc1ccc(O)cc1O ZINC000910943820 620319551 /nfs/dbraw/zinc/31/95/51/620319551.db2.gz IEXKAAGJKOMQJD-UHFFFAOYSA-N 0 0 314.385 3.109 20 10 DGCDRN COc1ccc(O)c(CNC(=O)C(C)(C)c2cccc(F)c2)c1 ZINC000151733310 620472401 /nfs/dbraw/zinc/47/24/01/620472401.db2.gz LXNQYGINQYNPFX-UHFFFAOYSA-N 0 0 317.360 3.134 20 10 DGCDRN C[C@H](NC(=O)[C@H]1CCOC2(CCCC2)C1)c1ccccc1O ZINC000913763379 620477997 /nfs/dbraw/zinc/47/79/97/620477997.db2.gz FDKGKCRZPAFVPU-KBPBESRZSA-N 0 0 303.402 3.309 20 10 DGCDRN CC[C@@H](CCO)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000152101552 620492124 /nfs/dbraw/zinc/49/21/24/620492124.db2.gz DNSNPDYFFCSNKO-HNNXBMFYSA-N 0 0 318.392 3.124 20 10 DGCDRN O=C(NCCCOC1CCCCC1)NCc1c(O)cccc1F ZINC000913940467 620494126 /nfs/dbraw/zinc/49/41/26/620494126.db2.gz DNXHGSINYLPXQD-UHFFFAOYSA-N 0 0 324.396 3.070 20 10 DGCDRN C[C@@H](Cc1cccs1)NC(=O)NCc1c(O)cccc1F ZINC000914105000 620505134 /nfs/dbraw/zinc/50/51/34/620505134.db2.gz QKSJIFCQHCHDHK-JTQLQIEISA-N 0 0 308.378 3.023 20 10 DGCDRN COc1ccc(O)c(CNC(=O)/C=C/SCc2ccco2)c1 ZINC000152593950 620514223 /nfs/dbraw/zinc/51/42/23/620514223.db2.gz KWXWPXXAOKYGNS-SOFGYWHQSA-N 0 0 319.382 3.057 20 10 DGCDRN CCn1nccc1C=C1SC(Nc2cccc(C)c2)=NC1=O ZINC000152602147 620514311 /nfs/dbraw/zinc/51/43/11/620514311.db2.gz IBVBOKGNMDKEBU-GXDHUFHOSA-N 0 0 312.398 3.294 20 10 DGCDRN Cc1ccccc1CN(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000031726259 620528519 /nfs/dbraw/zinc/52/85/19/620528519.db2.gz LIQTXXNGWUQFDD-UHFFFAOYSA-N 0 0 311.429 3.403 20 10 DGCDRN Cc1cc(C(=O)OCC(=O)C(C)(C)C)c(C)n1-c1ccccn1 ZINC000914613518 620544968 /nfs/dbraw/zinc/54/49/68/620544968.db2.gz DUTCXIFLQQTIQG-UHFFFAOYSA-N 0 0 314.385 3.261 20 10 DGCDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)[C@@H]1COCCO1 ZINC000915128377 620568970 /nfs/dbraw/zinc/56/89/70/620568970.db2.gz IHGDYCPHIBKBSU-INIZCTEOSA-N 0 0 311.341 3.456 20 10 DGCDRN CCN(CC(C)C)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000915211469 620572812 /nfs/dbraw/zinc/57/28/12/620572812.db2.gz SQLYOZFUAXOXND-VQHVLOKHSA-N 0 0 306.362 3.263 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cn(C)c3ccccc23)c1 ZINC000153933476 620624413 /nfs/dbraw/zinc/62/44/13/620624413.db2.gz LPBPXURXWGJNAV-LBPRGKRZSA-N 0 0 324.380 3.384 20 10 DGCDRN C[C@]1(CNC(=O)NCc2c(O)ccc3c2CCCC3)CC1(F)F ZINC000852581403 620631643 /nfs/dbraw/zinc/63/16/43/620631643.db2.gz LZGAHYOQKREYRI-MRXNPFEDSA-N 0 0 324.371 3.116 20 10 DGCDRN CCN(C[C@H](O)c1cccc(F)c1)c1ccc(OC)c(OC)c1 ZINC000921061351 620835736 /nfs/dbraw/zinc/83/57/36/620835736.db2.gz CQXWBYVAFWGLPD-INIZCTEOSA-N 0 0 319.376 3.403 20 10 DGCDRN CCN(CCOCC(F)(F)F)c1ccc(OC)c(OC)c1 ZINC000921061573 620835825 /nfs/dbraw/zinc/83/58/25/620835825.db2.gz HECWTEYWPUMZRQ-UHFFFAOYSA-N 0 0 307.312 3.109 20 10 DGCDRN C[C@H]1CCCC[C@H]1OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000112856713 620858846 /nfs/dbraw/zinc/85/88/46/620858846.db2.gz VTFZSQHCSJCSCQ-MAUKXSAKSA-N 0 0 318.461 3.306 20 10 DGCDRN COC(=O)CC[N@H+](Cc1c(O)ccc2ccccc21)C(C)C ZINC000112959201 620864368 /nfs/dbraw/zinc/86/43/68/620864368.db2.gz BLHAPGWRMYHPGY-UHFFFAOYSA-N 0 0 301.386 3.319 20 10 DGCDRN COc1ccccc1[C@H](C)N(OC)C(=O)C1=CC(=O)CS1 ZINC000855130603 620872392 /nfs/dbraw/zinc/87/23/92/620872392.db2.gz KYRANEWBCWCLHD-JTQLQIEISA-N 0 0 307.371 3.227 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CC[C@H](C)CC3)C2)cc1 ZINC000855226357 620881792 /nfs/dbraw/zinc/88/17/92/620881792.db2.gz RLYNJQWQTBCKSR-BZUAXINKSA-N 0 0 316.445 3.216 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)C[C@@H]3CCC[C@H]3C)C2)cc1 ZINC000855223667 620881941 /nfs/dbraw/zinc/88/19/41/620881941.db2.gz CETABBIFVBFHIE-PMPSAXMXSA-N 0 0 316.445 3.216 20 10 DGCDRN CCCC(C)(C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855227160 620882207 /nfs/dbraw/zinc/88/22/07/620882207.db2.gz WFQJQIXBTJAAFZ-CQSZACIVSA-N 0 0 304.434 3.216 20 10 DGCDRN CCC[C@H](C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C(C)C ZINC000855234015 620882772 /nfs/dbraw/zinc/88/27/72/620882772.db2.gz QOFJGKWTJOOYQX-YJBOKZPZSA-N 0 0 318.461 3.462 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)/C=C\c3ccccc3)C2)cc1 ZINC000855234516 620882910 /nfs/dbraw/zinc/88/29/10/620882910.db2.gz CCZFNFWLWFAKAZ-PJCWUCBCSA-N 0 0 322.408 3.104 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)CO[C@H]2CCCC[C@H]2C)c1 ZINC000113429548 620909727 /nfs/dbraw/zinc/90/97/27/620909727.db2.gz UYILMSSNWXKEOY-IGCXYCKISA-N 0 0 321.417 3.173 20 10 DGCDRN CC(C)OC1CCC(NC(=O)NCc2c(O)cccc2F)CC1 ZINC000921606546 620913007 /nfs/dbraw/zinc/91/30/07/620913007.db2.gz QBVNGJQFJSXFOR-UHFFFAOYSA-N 0 0 324.396 3.067 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC1(C2CC2)CCC1 ZINC000888343726 620915877 /nfs/dbraw/zinc/91/58/77/620915877.db2.gz UXHIPJDMJNEEGR-UHFFFAOYSA-N 0 0 311.429 3.195 20 10 DGCDRN Cc1cc(C(=O)NC[C@]2(C)CC2(F)F)c(C)n1-c1ccccn1 ZINC000855798045 620937044 /nfs/dbraw/zinc/93/70/44/620937044.db2.gz BAJJVJMBSRCQCG-INIZCTEOSA-N 0 0 319.355 3.264 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C=C\c1cnccc1C)CCC2 ZINC000856076644 620958685 /nfs/dbraw/zinc/95/86/85/620958685.db2.gz GWXGLXJFSASWBI-VURMDHGXSA-N 0 0 308.381 3.391 20 10 DGCDRN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C1CCC(F)CC1 ZINC000856080568 620959194 /nfs/dbraw/zinc/95/91/94/620959194.db2.gz LBJSCIAIDSSKCH-MIXQZFMHSA-N 0 0 307.365 3.144 20 10 DGCDRN Cc1cc(C(=O)NC2([C@@H](C)O)CC2)c(C)n1-c1cccc(C)c1 ZINC000856130614 620963784 /nfs/dbraw/zinc/96/37/84/620963784.db2.gz GOWGTKDISMMLSM-OAHLLOKOSA-N 0 0 312.413 3.046 20 10 DGCDRN Cc1ccc(C(=O)N2CCOc3ccccc3[C@@H]2C)c(O)c1O ZINC000856487086 620998620 /nfs/dbraw/zinc/99/86/20/620998620.db2.gz OIESDIIYAORKRG-LBPRGKRZSA-N 0 0 313.353 3.002 20 10 DGCDRN C[C@@H](NC(=O)C1=CC(=O)CS1)c1ccc2c(c1)CCCO2 ZINC000856494185 621000104 /nfs/dbraw/zinc/00/01/04/621000104.db2.gz BGJYINMXAYOWPQ-SNVBAGLBSA-N 0 0 303.383 3.270 20 10 DGCDRN OC[C@H](NCc1ccc2c(c1)CCCO2)c1ccc(F)cc1F ZINC000922264363 621014869 /nfs/dbraw/zinc/01/48/69/621014869.db2.gz SIGXRRHOEXXZPT-KRWDZBQOSA-N 0 0 319.351 3.113 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2cc(F)ccc2C)c1 ZINC000114565406 621015501 /nfs/dbraw/zinc/01/55/01/621015501.db2.gz YNRJXELDHRJVRB-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN CCOc1ccc(NC(=O)NCc2cc(OC)ccc2O)cc1 ZINC000114564521 621015585 /nfs/dbraw/zinc/01/55/85/621015585.db2.gz FXXMETOPFFJUPI-UHFFFAOYSA-N 0 0 316.357 3.121 20 10 DGCDRN COCC1(C(=O)N[C@@H](C)c2cc(OC)ccc2O)CCCCC1 ZINC000857117152 621058913 /nfs/dbraw/zinc/05/89/13/621058913.db2.gz WYZARWGBKNFPBW-ZDUSSCGKSA-N 0 0 321.417 3.175 20 10 DGCDRN CCn1ncc(Cl)c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000857181119 621065866 /nfs/dbraw/zinc/06/58/66/621065866.db2.gz ILSIHBCAGFVAFY-NSHDSACASA-N 0 0 320.824 3.113 20 10 DGCDRN O=C(c1c(F)ccc(O)c1O)N1CC[C@H](C2CCCCC2)C1 ZINC000857316352 621079877 /nfs/dbraw/zinc/07/98/77/621079877.db2.gz VKDWNKUNXGGKKE-LBPRGKRZSA-N 0 0 307.365 3.279 20 10 DGCDRN C[C@@H]1Cc2cc(C[NH2+]Cc3cc(F)cc(F)c3[O-])ccc2O1 ZINC000922702178 621087710 /nfs/dbraw/zinc/08/77/10/621087710.db2.gz WVVDZGUCFIOMTD-SNVBAGLBSA-N 0 0 305.324 3.284 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cccc(C(F)(F)F)n1 ZINC000857467233 621089771 /nfs/dbraw/zinc/08/97/71/621089771.db2.gz WOQGMNFVEMBALE-UHFFFAOYSA-N 0 0 310.275 3.078 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Cc1ccc(F)cc1 ZINC000115280402 621094457 /nfs/dbraw/zinc/09/44/57/621094457.db2.gz RJUVQTXBHQUEOK-UHFFFAOYSA-N 0 0 300.377 3.059 20 10 DGCDRN CO[C@@H](C(=O)NCc1ccc(N(C)C)cc1C)c1ccccc1 ZINC000115281429 621094474 /nfs/dbraw/zinc/09/44/74/621094474.db2.gz QWHSWDYKULLWIG-GOSISDBHSA-N 0 0 312.413 3.065 20 10 DGCDRN CC(=O)c1ccc(C(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC000115280622 621094581 /nfs/dbraw/zinc/09/45/81/621094581.db2.gz LUUUEUQAUPYDMH-UHFFFAOYSA-N 0 0 310.397 3.194 20 10 DGCDRN O=C(CCc1ccccc1F)NCc1cc(Cl)ccc1O ZINC000857547420 621095107 /nfs/dbraw/zinc/09/51/07/621095107.db2.gz COUVQUZGMMYSQD-UHFFFAOYSA-N 0 0 307.752 3.434 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CCC(=O)c1ccccc1 ZINC000115490197 621116437 /nfs/dbraw/zinc/11/64/37/621116437.db2.gz RHSMFCDCCIHQEK-UHFFFAOYSA-N 0 0 324.424 3.340 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCc2ccccc21 ZINC000115746732 621137711 /nfs/dbraw/zinc/13/77/11/621137711.db2.gz NBECOWUKBBCXIK-UHFFFAOYSA-N 0 0 309.413 3.333 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCn3cncc32)cc1 ZINC000857989831 621141358 /nfs/dbraw/zinc/14/13/58/621141358.db2.gz PVOVPQYCIDYFCC-QGZVFWFLSA-N 0 0 320.396 3.165 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CC=CCC1 ZINC000115811481 621148969 /nfs/dbraw/zinc/14/89/69/621148969.db2.gz AQCZSOYGRBKDBH-HNNXBMFYSA-N 0 0 301.434 3.217 20 10 DGCDRN CCN(Cc1ccoc1)C(=O)NCc1ccc(N(C)C)cc1C ZINC000115855724 621152375 /nfs/dbraw/zinc/15/23/75/621152375.db2.gz XVWJXEJPZKJDSW-UHFFFAOYSA-N 0 0 315.417 3.386 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)c1 ZINC000858147929 621158236 /nfs/dbraw/zinc/15/82/36/621158236.db2.gz DWWFATQLFPVJOK-IUODEOHRSA-N 0 0 314.385 3.416 20 10 DGCDRN CCc1noc(CC)c1CNCc1cc(F)c(N(C)C)cc1F ZINC000858149304 621158905 /nfs/dbraw/zinc/15/89/05/621158905.db2.gz GIISDEGBXUVIOZ-UHFFFAOYSA-N 0 0 323.387 3.433 20 10 DGCDRN Cc1cccc([C@@H]2C[C@H]2C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000858161149 621160307 /nfs/dbraw/zinc/16/03/07/621160307.db2.gz DCEGKFGZQAESRZ-RBUKOAKNSA-N 0 0 308.425 3.481 20 10 DGCDRN CC[C@H](C)C[C@@H](CO)[NH2+]Cc1c(O)cccc1Br ZINC000858182574 621162129 /nfs/dbraw/zinc/16/21/29/621162129.db2.gz ZCQLCTUCPLVORS-QWRGUYRKSA-N 0 0 316.239 3.041 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H](c2ccccn2)C2CCC2)c1 ZINC000858239710 621167303 /nfs/dbraw/zinc/16/73/03/621167303.db2.gz VQHPPAOMKNBDFW-QGZVFWFLSA-N 0 0 313.357 3.326 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H](c2ccccn2)C2CCC2)c1 ZINC000858239709 621167309 /nfs/dbraw/zinc/16/73/09/621167309.db2.gz VQHPPAOMKNBDFW-KRWDZBQOSA-N 0 0 313.357 3.326 20 10 DGCDRN Cc1cnc([C@@H](C)NC(=O)NCc2cc(C)ccc2O)s1 ZINC000858270983 621170899 /nfs/dbraw/zinc/17/08/99/621170899.db2.gz SLROIBXJSQTKFT-LLVKDONJSA-N 0 0 305.403 3.026 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000858331992 621176747 /nfs/dbraw/zinc/17/67/47/621176747.db2.gz DNCRUNARVWNDON-HOCLYGCPSA-N 0 0 320.433 3.094 20 10 DGCDRN CCC[C@H](OCC)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000858341335 621178618 /nfs/dbraw/zinc/17/86/18/621178618.db2.gz GDRLFMODIJUGHU-SFHVURJKSA-N 0 0 318.461 3.449 20 10 DGCDRN COC1CCC(CCNC(=O)NCc2cc(C)ccc2O)CC1 ZINC000858359941 621180880 /nfs/dbraw/zinc/18/08/80/621180880.db2.gz VMUYNKLNDAPFLX-UHFFFAOYSA-N 0 0 320.433 3.095 20 10 DGCDRN C[C@H](CC(=O)NCc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC000858453631 621193037 /nfs/dbraw/zinc/19/30/37/621193037.db2.gz XWEABDCLMJTIOA-GFCCVEGCSA-N 0 0 314.351 3.492 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCC2(C3CCC3)CCC2)c1 ZINC000858528768 621201675 /nfs/dbraw/zinc/20/16/75/621201675.db2.gz KFKZOXVSWAMHJX-UHFFFAOYSA-N 0 0 302.418 3.470 20 10 DGCDRN CC(C)[C@](C)(O)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788591884 621201812 /nfs/dbraw/zinc/20/18/12/621201812.db2.gz JHRBZVMKKYTZGJ-QMTHXVAHSA-N 0 0 305.340 3.469 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H]2c2ccccc2F)c1 ZINC000858532852 621202177 /nfs/dbraw/zinc/20/21/77/621202177.db2.gz KQXCORVEUFZBSR-GOEBONIOSA-N 0 0 314.360 3.195 20 10 DGCDRN CCC(C)(C)OC1CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000858702750 621215722 /nfs/dbraw/zinc/21/57/22/621215722.db2.gz GGMSMGHMUXIQKQ-UHFFFAOYSA-N 0 0 324.377 3.006 20 10 DGCDRN Cc1cc(CCNc2nccc(CO)n2)c(C)n1-c1ccccc1 ZINC000858867277 621226923 /nfs/dbraw/zinc/22/69/23/621226923.db2.gz DWGOLCWGSNSRKV-UHFFFAOYSA-N 0 0 322.412 3.031 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1CCCC12CC2 ZINC000859012579 621239059 /nfs/dbraw/zinc/23/90/59/621239059.db2.gz SFECJBZRLDWDFV-LBPRGKRZSA-N 0 0 308.809 3.425 20 10 DGCDRN CN(C)c1ccc(CN(Cc2cc(Cl)n(C)n2)C2CC2)cc1 ZINC000859081820 621246568 /nfs/dbraw/zinc/24/65/68/621246568.db2.gz LENZKWXMQVGZNK-UHFFFAOYSA-N 0 0 318.852 3.304 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@](C)(F)C1 ZINC000838478924 621258850 /nfs/dbraw/zinc/25/88/50/621258850.db2.gz NVAYDAIOIIZQEZ-KRWDZBQOSA-N 0 0 307.413 3.095 20 10 DGCDRN CC(C)[C@@H]1C[C@H]1CNC(=O)NCCCSc1nccs1 ZINC000838513681 621261755 /nfs/dbraw/zinc/26/17/55/621261755.db2.gz KLNZSXKIMNVPJM-RYUDHWBXSA-N 0 0 313.492 3.217 20 10 DGCDRN COC[C@H]1CCCCN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000838558890 621263062 /nfs/dbraw/zinc/26/30/62/621263062.db2.gz HQXBWCIHLRHLDL-RHSMWYFYSA-N 0 0 319.449 3.024 20 10 DGCDRN Cc1cc(CN2CCc3nc[nH]c3C2)ccc1N1CCCCC1 ZINC000859306189 621268530 /nfs/dbraw/zinc/26/85/30/621268530.db2.gz SBHPOANKQHUYMY-UHFFFAOYSA-N 0 0 310.445 3.267 20 10 DGCDRN C[C@H](CC(=O)NCCCSc1nccs1)C(F)(F)F ZINC000859353064 621271565 /nfs/dbraw/zinc/27/15/65/621271565.db2.gz ZJLZRAYJQVQFKH-MRVPVSSYSA-N 0 0 312.382 3.330 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1C[C@H]1C1CC1 ZINC000838723895 621273867 /nfs/dbraw/zinc/27/38/67/621273867.db2.gz HAJOVDGHIVZRJP-WMZOPIPTSA-N 0 0 315.461 3.330 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCO[C@H]1CC ZINC000838774374 621279030 /nfs/dbraw/zinc/27/90/30/621279030.db2.gz JHCULDKENJAPHP-WBVHZDCISA-N 0 0 320.433 3.271 20 10 DGCDRN COCCCCOC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000103333849 621341552 /nfs/dbraw/zinc/34/15/52/621341552.db2.gz BPVJGRLBSGUOBE-UHFFFAOYSA-N 0 0 302.374 3.073 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1ccn(C)n1 ZINC000839192466 621347669 /nfs/dbraw/zinc/34/76/69/621347669.db2.gz UAYXJCUZBGORJA-MRVPVSSYSA-N 0 0 300.189 3.283 20 10 DGCDRN Cc1ccc(CO[C@@H](C)C(=O)N(C)Cc2ccccc2O)cc1 ZINC000860048764 621358931 /nfs/dbraw/zinc/35/89/31/621358931.db2.gz DBUPSWUBYYPNPN-HNNXBMFYSA-N 0 0 313.397 3.264 20 10 DGCDRN CCCCCCO[C@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000839471958 621379188 /nfs/dbraw/zinc/37/91/88/621379188.db2.gz ZLLVHHDDJUIKOP-OAHLLOKOSA-N 0 0 306.450 3.354 20 10 DGCDRN COC(=O)c1cc(CN(C)Cc2ccc(N(C)C)cc2)cs1 ZINC000839463689 621380225 /nfs/dbraw/zinc/38/02/25/621380225.db2.gz ZVTFJOUKKHZXSI-UHFFFAOYSA-N 0 0 318.442 3.233 20 10 DGCDRN C[C@@H](CC(=O)NCc1c(O)ccc2c1CCCC2)C(F)(F)F ZINC000860243527 621385890 /nfs/dbraw/zinc/38/58/90/621385890.db2.gz PFDLZDXKQKZHCM-JTQLQIEISA-N 0 0 315.335 3.476 20 10 DGCDRN CC[C@H]([NH2+]C[C@@](C)(O)COC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806139054 621387628 /nfs/dbraw/zinc/38/76/28/621387628.db2.gz HTWGBWWTICEVMG-GXTWGEPZSA-N 0 0 322.232 3.137 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccc(-c2ccccc2)o1 ZINC000752597012 621401756 /nfs/dbraw/zinc/40/17/56/621401756.db2.gz RRVWIQIRHDSEOP-UHFFFAOYSA-N 0 0 323.348 3.330 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000752645008 621402812 /nfs/dbraw/zinc/40/28/12/621402812.db2.gz JTTVQCKWPGVBJQ-NSHDSACASA-N 0 0 323.801 3.401 20 10 DGCDRN Fc1cccnc1CNC(=S)Nc1ccc2c(c1)CCC2 ZINC000752766528 621409139 /nfs/dbraw/zinc/40/91/39/621409139.db2.gz NYMICUIHKQZLIU-UHFFFAOYSA-N 0 0 301.390 3.196 20 10 DGCDRN Cn1cc(/C=C\C(=O)N(CC2CCCCC2)c2ccccn2)cn1 ZINC000752862149 621413200 /nfs/dbraw/zinc/41/32/00/621413200.db2.gz LHIJIPVYWXDVDM-KHPPLWFESA-N 0 0 324.428 3.442 20 10 DGCDRN CS[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)C(C)(C)C ZINC000752879350 621414146 /nfs/dbraw/zinc/41/41/46/621414146.db2.gz XRJNPDHHMUWICK-OWNNVSBGSA-N 0 0 309.431 3.005 20 10 DGCDRN CCOc1ccc(CN[C@@H](C)c2nnc([C@H](C)CC)[nH]2)c(O)c1 ZINC000752923782 621416094 /nfs/dbraw/zinc/41/60/94/621416094.db2.gz GSQOIAUURAILSG-NEPJUHHUSA-N 0 0 318.421 3.273 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1ccoc1 ZINC000753295762 621436049 /nfs/dbraw/zinc/43/60/49/621436049.db2.gz YWTRLIWWWJJGHF-UHFFFAOYSA-N 0 0 300.402 3.327 20 10 DGCDRN CC(C)C1(CNC(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000753346916 621437535 /nfs/dbraw/zinc/43/75/35/621437535.db2.gz ZLZNEZQMWPRRHL-UHFFFAOYSA-N 0 0 315.461 3.304 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2scnc2C2CC2)c1 ZINC000860839370 621448901 /nfs/dbraw/zinc/44/89/01/621448901.db2.gz HJVVGYHQGOJVRG-UHFFFAOYSA-N 0 0 303.387 3.356 20 10 DGCDRN Oc1cc(OCc2ccccc2)ccc1CNCc1cocn1 ZINC000753566402 621449045 /nfs/dbraw/zinc/44/90/45/621449045.db2.gz PLUVLIMKEPTMHE-UHFFFAOYSA-N 0 0 310.353 3.249 20 10 DGCDRN CC[C@H](C)n1ncc(NC(=O)NCc2cc(C)ccc2O)c1C ZINC000861014605 621467380 /nfs/dbraw/zinc/46/73/80/621467380.db2.gz PCSAQGSYJNEEOY-LBPRGKRZSA-N 0 0 316.405 3.498 20 10 DGCDRN Cc1ccc(/C=C/C(=O)N2CCCN(C)c3ccccc32)cn1 ZINC000754297672 621501819 /nfs/dbraw/zinc/50/18/19/621501819.db2.gz JVRXOHRWWMMOQO-ZHACJKMWSA-N 0 0 307.397 3.276 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C=C/c1ccc(C)nc1)C[C@H](C)O2 ZINC000754317055 621502506 /nfs/dbraw/zinc/50/25/06/621502506.db2.gz KGPJNMWSVWPVIT-MRZGDXHCSA-N 0 0 324.380 3.226 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2[C@@H](C)C[C@@H]2C)cc1 ZINC000861438810 621514629 /nfs/dbraw/zinc/51/46/29/621514629.db2.gz OWOOKFMETCNJMC-KBPBESRZSA-N 0 0 324.424 3.458 20 10 DGCDRN Oc1ccccc1C[N@H+](CCC1OCCCO1)Cc1ccco1 ZINC000754653053 621522517 /nfs/dbraw/zinc/52/25/17/621522517.db2.gz ANZZDJPSFRSHIL-UHFFFAOYSA-N 0 0 317.385 3.141 20 10 DGCDRN Cc1cc(F)ccc1CN(C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000754699127 621525259 /nfs/dbraw/zinc/52/52/59/621525259.db2.gz MMJUOVZZIDLBCG-YWEYNIOJSA-N 0 0 315.344 3.217 20 10 DGCDRN COc1cc(C)cc(CN2CCOC[C@H]2c2ccccc2)c1O ZINC000754736758 621529510 /nfs/dbraw/zinc/52/95/10/621529510.db2.gz KZULWFMRPYQSSN-KRWDZBQOSA-N 0 0 313.397 3.283 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2C[C@H](C)[C@H]2C)cc1 ZINC000861836284 621539969 /nfs/dbraw/zinc/53/99/69/621539969.db2.gz FKUUGJKUECSECB-DZGCQCFKSA-N 0 0 324.424 3.316 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2C[C@@H](C)[C@H]2C)c1 ZINC000861837164 621540295 /nfs/dbraw/zinc/54/02/95/621540295.db2.gz QSYKWUAQODXPLW-TZMCWYRMSA-N 0 0 310.397 3.387 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC3(CC3)C2)c1 ZINC000861854531 621541198 /nfs/dbraw/zinc/54/11/98/621541198.db2.gz OVKAPYHBWWUDMM-UHFFFAOYSA-N 0 0 308.381 3.143 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1CC12CC2 ZINC000862036194 621551521 /nfs/dbraw/zinc/55/15/21/621551521.db2.gz RBRXTUMOGCOXFC-QGZVFWFLSA-N 0 0 308.381 3.189 20 10 DGCDRN C[C@@H](NC(=O)N1CCS[C@H](C)CC1)c1ccc(N(C)C)cc1 ZINC000755275120 621562677 /nfs/dbraw/zinc/56/26/77/621562677.db2.gz PCOSWHNGXLYYCO-ZIAGYGMSSA-N 0 0 321.490 3.351 20 10 DGCDRN CN(C)c1cc(F)c(CN2CCCC[C@@H]2c2cc[nH]n2)cc1F ZINC000862363125 621578331 /nfs/dbraw/zinc/57/83/31/621578331.db2.gz JJLCCWMAMXXFAA-MRXNPFEDSA-N 0 0 320.387 3.481 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000862435490 621589211 /nfs/dbraw/zinc/58/92/11/621589211.db2.gz BJXBRHKEHLXVGN-HNNXBMFYSA-N 0 0 321.779 3.416 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CCCN1CC(F)F ZINC000862468513 621592923 /nfs/dbraw/zinc/59/29/23/621592923.db2.gz JZLIJJMKVJBCFB-SNVBAGLBSA-N 0 0 322.758 3.004 20 10 DGCDRN CN(C)c1ccc(CN2CCc3c(O)cccc3C2)cc1F ZINC000862529289 621597024 /nfs/dbraw/zinc/59/70/24/621597024.db2.gz JRHBHWBWPMBSJD-UHFFFAOYSA-N 0 0 300.377 3.156 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cccc(OC(C)(C)C)n2)c1 ZINC000862753420 621613162 /nfs/dbraw/zinc/61/31/62/621613162.db2.gz CZOXTRHTSQJORC-UHFFFAOYSA-N 0 0 314.385 3.203 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cccc3c2OCC3(C)C)c1 ZINC000862756229 621613991 /nfs/dbraw/zinc/61/39/91/621613991.db2.gz UGUZTDMVDFQGPE-UHFFFAOYSA-N 0 0 311.381 3.301 20 10 DGCDRN CCC(CC)n1nccc1C(=O)NCc1cc(C)ccc1O ZINC000862758260 621614243 /nfs/dbraw/zinc/61/42/43/621614243.db2.gz UWPPZIALKZLGHI-UHFFFAOYSA-N 0 0 301.390 3.188 20 10 DGCDRN COc1ccccc1C1(C(=O)NCc2cc(C)ccc2O)CC1 ZINC000862758954 621614340 /nfs/dbraw/zinc/61/43/40/621614340.db2.gz RDPYOVRPXNBBOF-UHFFFAOYSA-N 0 0 311.381 3.057 20 10 DGCDRN COc1ccc(C(C)(C)C(=O)NCc2cc(C)ccc2O)cc1 ZINC000862758047 621614382 /nfs/dbraw/zinc/61/43/82/621614382.db2.gz MWRGJWHUDXNURN-UHFFFAOYSA-N 0 0 313.397 3.303 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CCc2cn(C)c3ccccc23)c1 ZINC000862757715 621614402 /nfs/dbraw/zinc/61/44/02/621614402.db2.gz CPVOBRUUYWPVQK-UHFFFAOYSA-N 0 0 322.408 3.441 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CCCOc2cccc(F)c2)c1 ZINC000862759164 621614418 /nfs/dbraw/zinc/61/44/18/621614418.db2.gz XNSWHVYJCUMSJF-UHFFFAOYSA-N 0 0 317.360 3.315 20 10 DGCDRN COc1cc(OC)c2c(c1)N(C(=O)C1=CC(=O)CS1)CCC2 ZINC000862775603 621615625 /nfs/dbraw/zinc/61/56/25/621615625.db2.gz KZSUFMMZXSZJAR-UHFFFAOYSA-N 0 0 319.382 3.064 20 10 DGCDRN CC[C@@H]1CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000756135127 621617705 /nfs/dbraw/zinc/61/77/05/621617705.db2.gz VZVYLGJLGADULP-SMYYYNMVSA-N 0 0 304.346 3.017 20 10 DGCDRN COC(=O)[C@H](CC1CCCCC1)NCc1cc(C)ccc1O ZINC000756147498 621619029 /nfs/dbraw/zinc/61/90/29/621619029.db2.gz RXIKOMXRSYJWOK-INIZCTEOSA-N 0 0 305.418 3.302 20 10 DGCDRN O=C([O-])CC1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCC1 ZINC000756311276 621626956 /nfs/dbraw/zinc/62/69/56/621626956.db2.gz UNIJWYIQTYNMDD-UHFFFAOYSA-N 0 0 316.445 3.412 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]C[C@H](C)CCC(=O)[O-])cc1F ZINC000756314443 621627272 /nfs/dbraw/zinc/62/72/72/621627272.db2.gz ZINKSLCASVJPKJ-CYBMUJFWSA-N 0 0 310.413 3.262 20 10 DGCDRN COC[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756343409 621629515 /nfs/dbraw/zinc/62/95/15/621629515.db2.gz YTFOSITWSBKGNJ-YUMQZZPRSA-N 0 0 322.630 3.494 20 10 DGCDRN C[C@H]([NH2+]Cc1cn2ccccc2n1)c1cc(F)cc(F)c1[O-] ZINC000756362155 621631246 /nfs/dbraw/zinc/63/12/46/621631246.db2.gz IXLUGNBZZYUINA-JTQLQIEISA-N 0 0 303.312 3.169 20 10 DGCDRN C[C@H]([NH2+]CCN(C)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756379931 621632935 /nfs/dbraw/zinc/63/29/35/621632935.db2.gz DMVIXLYWWDZYPG-LBPRGKRZSA-N 0 0 306.356 3.457 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@@H](CC(=O)[O-])C2CC2)cc1F ZINC000756387680 621634303 /nfs/dbraw/zinc/63/43/03/621634303.db2.gz LMAWZSREYGQOJN-HNNXBMFYSA-N 0 0 308.397 3.015 20 10 DGCDRN C[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])N1CCCC[C@H]1C ZINC000756412514 621636787 /nfs/dbraw/zinc/63/67/87/621636787.db2.gz UPIZUBFXJXRVMZ-MCIONIFRSA-N 0 0 321.421 3.214 20 10 DGCDRN CC(=O)Nc1cccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756412093 621636793 /nfs/dbraw/zinc/63/67/93/621636793.db2.gz SBPJHMLLGHPVLG-SNVBAGLBSA-N 0 0 320.339 3.480 20 10 DGCDRN C[C@H]([NH2+]CCc1c(F)cccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756422158 621637250 /nfs/dbraw/zinc/63/72/50/621637250.db2.gz LIGFBDAPJNDLHP-JTQLQIEISA-N 0 0 322.311 3.472 20 10 DGCDRN COCCCC[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756424165 621637764 /nfs/dbraw/zinc/63/77/64/621637764.db2.gz ULGAPCYBVSGAGX-SECBINFHSA-N 0 0 320.202 3.371 20 10 DGCDRN Cc1cc(CNC(=O)/C=C/[C@@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000863163640 621644101 /nfs/dbraw/zinc/64/41/01/621644101.db2.gz LCHHEVUSHABYTK-KBOKABMXSA-N 0 0 324.424 3.303 20 10 DGCDRN COC/C(C)=C\C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000863163935 621644276 /nfs/dbraw/zinc/64/42/76/621644276.db2.gz UJKGSDMOJLVLNE-UVTDQMKNSA-N 0 0 312.413 3.303 20 10 DGCDRN CCn1cc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)cn1 ZINC000863166140 621644523 /nfs/dbraw/zinc/64/45/23/621644523.db2.gz UUKVBXINTJWGDF-UHFFFAOYSA-N 0 0 322.412 3.241 20 10 DGCDRN C[C@@H]([NH2+]C[C@]1(O)CCCc2ccccc21)c1ccc(F)cc1[O-] ZINC000756561742 621649356 /nfs/dbraw/zinc/64/93/56/621649356.db2.gz HQGDEZHMVSVLLW-BFUOFWGJSA-N 0 0 315.388 3.406 20 10 DGCDRN Cc1cccc2nc(C[NH2+][C@@H](C)c3cc(F)cc(F)c3[O-])cn21 ZINC000756565719 621649611 /nfs/dbraw/zinc/64/96/11/621649611.db2.gz YMXKUHGAQYAEQK-NSHDSACASA-N 0 0 317.339 3.477 20 10 DGCDRN Cc1nccn1CCCC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756597478 621651854 /nfs/dbraw/zinc/65/18/54/621651854.db2.gz NKRULGXDCNIDQA-NSHDSACASA-N 0 0 309.360 3.306 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC[C@H](SC)C2)c1 ZINC000756610538 621652782 /nfs/dbraw/zinc/65/27/82/621652782.db2.gz PGTTWKVDGNUNSK-UHTWSYAYSA-N 0 0 309.431 3.114 20 10 DGCDRN COC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000756637813 621654733 /nfs/dbraw/zinc/65/47/33/621654733.db2.gz PJSSTSIKPQTGRW-CZUORRHYSA-N 0 0 303.377 3.440 20 10 DGCDRN COC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756637806 621654744 /nfs/dbraw/zinc/65/47/44/621654744.db2.gz PJSSTSIKPQTGRW-BBRMVZONSA-N 0 0 303.377 3.440 20 10 DGCDRN COc1ccc(O)c([C@H](C)NCc2nnc(C(C)C)s2)c1 ZINC000756639795 621655329 /nfs/dbraw/zinc/65/53/29/621655329.db2.gz FOPLTMUNLXNHRW-JTQLQIEISA-N 0 0 307.419 3.227 20 10 DGCDRN C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756677181 621658327 /nfs/dbraw/zinc/65/83/27/621658327.db2.gz PZVGMFOMHLEBCX-ISTVAULSSA-N 0 0 311.328 3.426 20 10 DGCDRN C[C@@H]([NH2+]Cc1cccc2c1OCCO2)c1cc(F)cc(F)c1[O-] ZINC000756703098 621659103 /nfs/dbraw/zinc/65/91/03/621659103.db2.gz FINVJJVOCOHRLK-SNVBAGLBSA-N 0 0 321.323 3.292 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCc2ccc(C)cc2)c1 ZINC000756710480 621659827 /nfs/dbraw/zinc/65/98/27/621659827.db2.gz CPPQWOYNPZBCSI-AWEZNQCLSA-N 0 0 313.397 3.381 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1ccc(F)cc1[O-] ZINC000756741914 621661649 /nfs/dbraw/zinc/66/16/49/621661649.db2.gz YRMCJZUPSGTUNE-BJOHPYRUSA-N 0 0 311.303 3.194 20 10 DGCDRN C[C@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1ccc(F)cc1[O-] ZINC000756741918 621661877 /nfs/dbraw/zinc/66/18/77/621661877.db2.gz YRMCJZUPSGTUNE-VFZGTOFNSA-N 0 0 311.303 3.194 20 10 DGCDRN C[C@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000756771333 621663309 /nfs/dbraw/zinc/66/33/09/621663309.db2.gz VKXKXBDQAWILPS-VOJFVSQTSA-N 0 0 319.351 3.155 20 10 DGCDRN COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])C2 ZINC000756774583 621664019 /nfs/dbraw/zinc/66/40/19/621664019.db2.gz KBKWPFHDYNPMJO-SMDDNHRTSA-N 0 0 317.360 3.194 20 10 DGCDRN Cc1cc(C(=O)NCC2COC2)c(C)n1-c1cccc(Cl)c1 ZINC000863352522 621666518 /nfs/dbraw/zinc/66/65/18/621666518.db2.gz FTGLPUSNTFSJQQ-UHFFFAOYSA-N 0 0 318.804 3.124 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)C(C)(C)O)c1cc(Br)cc(F)c1[O-] ZINC000756817367 621666745 /nfs/dbraw/zinc/66/67/45/621666745.db2.gz FJYRRJKDZFFNBB-YUMQZZPRSA-N 0 0 320.202 3.104 20 10 DGCDRN Cc1ccc([C@@H](C)Nc2ccc(N(C)CCO)cn2)c(O)c1C ZINC000756844528 621667475 /nfs/dbraw/zinc/66/74/75/621667475.db2.gz JTCJDRMPEAHYKV-CQSZACIVSA-N 0 0 315.417 3.006 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2CC3CCC2CC3)c1 ZINC000756845340 621668133 /nfs/dbraw/zinc/66/81/33/621668133.db2.gz UBNCTLCQNSGEFS-OCLKLICZSA-N 0 0 303.402 3.408 20 10 DGCDRN COC1CCN(c2ccc(Cn3ccnc3C3CC3)cc2)CC1 ZINC000863385064 621668914 /nfs/dbraw/zinc/66/89/14/621668914.db2.gz ICVVWKUOUIBTNZ-UHFFFAOYSA-N 0 0 311.429 3.424 20 10 DGCDRN Cc1cc(CN2C(=O)CN(C3CC3)C2=O)c(C)n1-c1ccccc1 ZINC000863532960 621681125 /nfs/dbraw/zinc/68/11/25/621681125.db2.gz OBAWSZQXXXBQEG-UHFFFAOYSA-N 0 0 323.396 3.021 20 10 DGCDRN COc1ccc(N(C)Cc2cc(OC)cc(C)n2)c(OC)c1 ZINC000757098653 621686481 /nfs/dbraw/zinc/68/64/81/621686481.db2.gz BUHXZWQKQGDMBD-UHFFFAOYSA-N 0 0 302.374 3.052 20 10 DGCDRN COCC(C)(C)CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000839595240 621697980 /nfs/dbraw/zinc/69/79/80/621697980.db2.gz NDTNRMFGJAXZAN-UHFFFAOYSA-N 0 0 318.461 3.356 20 10 DGCDRN COc1cc2c(c(OC)c1)N(Cc1ccn(C(C)C)n1)CCC2 ZINC000839656093 621704434 /nfs/dbraw/zinc/70/44/34/621704434.db2.gz GRIZJLYSODPLPE-UHFFFAOYSA-N 0 0 315.417 3.434 20 10 DGCDRN COc1cc2c(c(OC)c1)N(Cc1nccn1C(F)F)CCC2 ZINC000839654221 621704441 /nfs/dbraw/zinc/70/44/41/621704441.db2.gz MKQSYKPMUUPESS-UHFFFAOYSA-N 0 0 323.343 3.248 20 10 DGCDRN COc1cc2c(c(OC)c1)N(Cc1cnc(Cl)cn1)CCC2 ZINC000839656942 621705018 /nfs/dbraw/zinc/70/50/18/621705018.db2.gz WQJICYVTFAOIOM-UHFFFAOYSA-N 0 0 319.792 3.100 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC000863738658 621705626 /nfs/dbraw/zinc/70/56/26/621705626.db2.gz DAHJLSVPVKJHJT-YOEHRIQHSA-N 0 0 304.434 3.075 20 10 DGCDRN CO[C@H]1C[C@@H](CNC(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000863773396 621707055 /nfs/dbraw/zinc/70/70/55/621707055.db2.gz VYSCWQQWFFURLR-OKILXGFUSA-N 0 0 318.442 3.310 20 10 DGCDRN CN=[S@@](C)(=O)c1cccc(NCc2ccc(N(C)C)cc2)c1 ZINC000864013804 621726970 /nfs/dbraw/zinc/72/69/70/621726970.db2.gz AFCWHGBEENZCHM-QFIPXVFZSA-N 0 0 317.458 3.451 20 10 DGCDRN CC(=O)NCc1ccc(N[C@H](C)c2cc(F)ccc2O)cc1 ZINC000757606219 621727788 /nfs/dbraw/zinc/72/77/88/621727788.db2.gz ZFTVUZFAJRFQMW-LLVKDONJSA-N 0 0 302.349 3.341 20 10 DGCDRN COc1cccc([C@H](C)Nc2cccc(-n3nccn3)c2)c1O ZINC000864023194 621728347 /nfs/dbraw/zinc/72/83/47/621728347.db2.gz PIRAUHPAXHGBPV-LBPRGKRZSA-N 0 0 310.357 3.155 20 10 DGCDRN COc1ccc(O)c([C@@H](C)Nc2cccc(-n3nccn3)c2)c1 ZINC000864021556 621728404 /nfs/dbraw/zinc/72/84/04/621728404.db2.gz CZBRMSNSYOWKDH-GFCCVEGCSA-N 0 0 310.357 3.155 20 10 DGCDRN COC(=O)c1ccc(CN(C)c2ccc(OC)cc2)c(F)c1 ZINC000864031864 621729500 /nfs/dbraw/zinc/72/95/00/621729500.db2.gz UCHTZIOKXJUJLK-UHFFFAOYSA-N 0 0 303.333 3.257 20 10 DGCDRN COc1ccc(N(C)Cc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000864031930 621729595 /nfs/dbraw/zinc/72/95/95/621729595.db2.gz WPPYFDARJHPINR-UHFFFAOYSA-N 0 0 302.330 3.248 20 10 DGCDRN Oc1cc(F)c(Cl)cc1CNc1cccc(-n2nccn2)c1 ZINC000864044353 621730864 /nfs/dbraw/zinc/73/08/64/621730864.db2.gz XVPVIRQCMCEQGL-UHFFFAOYSA-N 0 0 318.739 3.378 20 10 DGCDRN CN(C)c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000757703749 621734559 /nfs/dbraw/zinc/73/45/59/621734559.db2.gz JCPHZXXSPXVKCP-UHFFFAOYSA-N 0 0 304.777 3.424 20 10 DGCDRN COC(=O)c1ccc(CN2CCCc3cc(OC)ccc32)s1 ZINC000757804927 621740706 /nfs/dbraw/zinc/74/07/06/621740706.db2.gz SXQWPFXGRJVLGM-UHFFFAOYSA-N 0 0 317.410 3.496 20 10 DGCDRN COc1ccc(N(C)CC(=O)N(C)[C@H](C)CC(C)C)cc1F ZINC000757852166 621742943 /nfs/dbraw/zinc/74/29/43/621742943.db2.gz WYEITEVFEIKGAF-CYBMUJFWSA-N 0 0 310.413 3.164 20 10 DGCDRN CC(C)(C)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1O ZINC000757865409 621743775 /nfs/dbraw/zinc/74/37/75/621743775.db2.gz GBWWKERSEQOXHU-OCCSQVGLSA-N 0 0 315.816 3.414 20 10 DGCDRN CC(C)(C)[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@H]1O ZINC000757865387 621743897 /nfs/dbraw/zinc/74/38/97/621743897.db2.gz GBWWKERSEQOXHU-GXTWGEPZSA-N 0 0 315.816 3.414 20 10 DGCDRN Cc1cccc2c1CN(C(=O)NCc1ccc(N(C)C)cc1)CC2 ZINC000758283381 621772757 /nfs/dbraw/zinc/77/27/57/621772757.db2.gz PPLALFYNOQCAEA-UHFFFAOYSA-N 0 0 323.440 3.329 20 10 DGCDRN C[C@@H](CCCCC(=O)[O-])[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000864504739 621775278 /nfs/dbraw/zinc/77/52/78/621775278.db2.gz MLZLUFCRBUVRNR-NSHDSACASA-N 0 0 314.376 3.154 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@H]2CC[C@H](C(=O)[O-])CC2)cc1F ZINC000864525907 621779131 /nfs/dbraw/zinc/77/91/31/621779131.db2.gz PHGFWHZGQBWOAY-SHTZXODSSA-N 0 0 322.424 3.405 20 10 DGCDRN O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1cccc(O)c1O ZINC000758560096 621789577 /nfs/dbraw/zinc/78/95/77/621789577.db2.gz UZXTYKGKIMAXEY-UHFFFAOYSA-N 0 0 323.688 3.016 20 10 DGCDRN Cc1conc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000864636919 621795098 /nfs/dbraw/zinc/79/50/98/621795098.db2.gz BUOODUYTXPRCPY-UHFFFAOYSA-N 0 0 313.401 3.246 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N(C)CC(C)(C)OC)cc1 ZINC000758703143 621796877 /nfs/dbraw/zinc/79/68/77/621796877.db2.gz SFHUNMQOFVDLTP-UHFFFAOYSA-N 0 0 321.465 3.099 20 10 DGCDRN COc1cc(Cl)cc([C@H]2NC(=O)c3c(C)cccc3N2)c1O ZINC000758820224 621803040 /nfs/dbraw/zinc/80/30/40/621803040.db2.gz NHUOZNJYFKFBJH-OAHLLOKOSA-N 0 0 318.760 3.217 20 10 DGCDRN C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccncc1 ZINC000864786348 621813415 /nfs/dbraw/zinc/81/34/15/621813415.db2.gz RZHABAIBAAPBSW-OAHLLOKOSA-N 0 0 323.440 3.442 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@H+](C)CCOCC3CC3)c2c1 ZINC000120387994 621859017 /nfs/dbraw/zinc/85/90/17/621859017.db2.gz QHOPIMKDOOTYAL-UHFFFAOYSA-N 0 0 315.413 3.412 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCc1ccc(F)cc1F ZINC000759581937 621873331 /nfs/dbraw/zinc/87/33/31/621873331.db2.gz XMCYYUSEUWFYKG-KXFIGUGUSA-N 0 0 306.264 3.133 20 10 DGCDRN O=C(NCCCSc1nccs1)N1CCC[C@H]1C1CC1 ZINC000759601346 621874757 /nfs/dbraw/zinc/87/47/57/621874757.db2.gz IFUJPOPJRNPEIE-LBPRGKRZSA-N 0 0 311.476 3.209 20 10 DGCDRN C[C@H]1C[C@H]1c1nnc(NCc2cccc(Br)c2O)o1 ZINC000865295620 621892211 /nfs/dbraw/zinc/89/22/11/621892211.db2.gz IZVKXIFFVOQPST-IONNQARKSA-N 0 0 324.178 3.273 20 10 DGCDRN Cc1nc(C2CC2)oc1C(=O)NCCCSc1nccs1 ZINC000759849060 621896612 /nfs/dbraw/zinc/89/66/12/621896612.db2.gz NYGRLSGAGBOWBD-UHFFFAOYSA-N 0 0 323.443 3.229 20 10 DGCDRN CC(C)Oc1ccc(N(C)CC(=O)NC2CCCCC2)cc1 ZINC000759916371 621901928 /nfs/dbraw/zinc/90/19/28/621901928.db2.gz UVGGJAIUCDOEII-UHFFFAOYSA-N 0 0 304.434 3.359 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(C)nnc1CC ZINC000759930758 621903663 /nfs/dbraw/zinc/90/36/63/621903663.db2.gz GARHRSYOYHMPRU-UHFFFAOYSA-N 0 0 313.401 3.105 20 10 DGCDRN COC(=O)c1ccc(CN(C)c2ccc(OC(C)C)cc2)o1 ZINC000759932465 621903772 /nfs/dbraw/zinc/90/37/72/621903772.db2.gz GPQYCNFHRTUXPG-UHFFFAOYSA-N 0 0 303.358 3.490 20 10 DGCDRN C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc[nH]1 ZINC000760305112 621929762 /nfs/dbraw/zinc/92/97/62/621929762.db2.gz AHMDKOQKMQBDNE-AWEZNQCLSA-N 0 0 312.417 3.175 20 10 DGCDRN CCOc1cccc(CN2CCOc3cc(F)ccc32)c1O ZINC000789568837 625526003 /nfs/dbraw/zinc/52/60/03/625526003.db2.gz ZGYGEVFDKLVJHN-UHFFFAOYSA-N 0 0 303.333 3.329 20 10 DGCDRN O=C(NCc1nc2ccccc2n1C1CC1)C1=CC(=O)CS1 ZINC000760458582 621941875 /nfs/dbraw/zinc/94/18/75/621941875.db2.gz KAFSJNSVJASYMV-UHFFFAOYSA-N 0 0 313.382 3.068 20 10 DGCDRN CCc1oc(C(=O)NCc2ccc3c(c2)CCCN3C)cc1C ZINC000760474750 621943342 /nfs/dbraw/zinc/94/33/42/621943342.db2.gz REVUAKRGLRFARG-UHFFFAOYSA-N 0 0 312.413 3.463 20 10 DGCDRN Cc1cnc(CN(Cc2ccco2)Cc2ccccc2O)nc1 ZINC000760858165 621968917 /nfs/dbraw/zinc/96/89/17/621968917.db2.gz YTKJJGRWIKXLNH-UHFFFAOYSA-N 0 0 309.369 3.286 20 10 DGCDRN COc1cc(Cl)cc(CN(C)c2ccc3c(c2)OCO3)c1O ZINC000761217445 621995318 /nfs/dbraw/zinc/99/53/18/621995318.db2.gz VLHNYXFPZWWNJM-UHFFFAOYSA-N 0 0 321.760 3.419 20 10 DGCDRN COc1cccc(CN(C)c2ccc(OC)c(OC)c2)c1O ZINC000761222379 621995459 /nfs/dbraw/zinc/99/54/59/621995459.db2.gz PZWFAYNXWGMZFB-UHFFFAOYSA-N 0 0 303.358 3.054 20 10 DGCDRN Cn1c2ccccc2nc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000761222849 621995476 /nfs/dbraw/zinc/99/54/76/621995476.db2.gz SJQHALZREPOLLY-UHFFFAOYSA-N 0 0 301.777 3.222 20 10 DGCDRN CC(C)[C@H](C)CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761361388 622003500 /nfs/dbraw/zinc/00/35/00/622003500.db2.gz MLNYTPBTHPTBFZ-LLVKDONJSA-N 0 0 324.808 3.102 20 10 DGCDRN CCC(CC)[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000761386580 622004633 /nfs/dbraw/zinc/00/46/33/622004633.db2.gz ZMVALRXICSZMRI-OAHLLOKOSA-N 0 0 318.461 3.212 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1ccnn1C ZINC000865839134 622005204 /nfs/dbraw/zinc/00/52/04/622005204.db2.gz HJUOCNMAAATPJA-MRVPVSSYSA-N 0 0 300.189 3.283 20 10 DGCDRN Cc1ncc([C@H](C)NC(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000866077412 622042831 /nfs/dbraw/zinc/04/28/31/622042831.db2.gz TXVXYVZOSJQPGQ-NSHDSACASA-N 0 0 318.446 3.078 20 10 DGCDRN CSc1cc(N2Cc3cccc(O)c3C2)nc(SC)n1 ZINC000866117049 622048527 /nfs/dbraw/zinc/04/85/27/622048527.db2.gz FNRAUAAPUXATIO-UHFFFAOYSA-N 0 0 305.428 3.146 20 10 DGCDRN C[C@H](NC(=O)Nc1ccc2c(c1)N(C)CC2)c1ccccc1O ZINC000866161870 622056984 /nfs/dbraw/zinc/05/69/84/622056984.db2.gz YNCSREVBOOIREV-LBPRGKRZSA-N 0 0 311.385 3.267 20 10 DGCDRN CN(Cc1ccc(F)c(Cl)c1)C(=O)c1cccc(O)c1O ZINC000762376032 622071812 /nfs/dbraw/zinc/07/18/12/622071812.db2.gz QNSAEOZRCMUHAJ-UHFFFAOYSA-N 0 0 309.724 3.163 20 10 DGCDRN CCOc1cccc(CNc2ccccc2C[S@](C)=O)c1O ZINC000762790269 622098191 /nfs/dbraw/zinc/09/81/91/622098191.db2.gz CWRULXLCZPRPIG-QFIPXVFZSA-N 0 0 319.426 3.282 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2scnc2C2CC2)cc1 ZINC000762982011 622114429 /nfs/dbraw/zinc/11/44/29/622114429.db2.gz STGRPJABGKIKSI-UHFFFAOYSA-N 0 0 316.430 3.408 20 10 DGCDRN Cc1cc(C(=O)NC[C@@H](O)C(C)C)c(C)n1-c1cccc(C)c1 ZINC000762983576 622115018 /nfs/dbraw/zinc/11/50/18/622115018.db2.gz FMZJVHADYKNONC-GOSISDBHSA-N 0 0 314.429 3.149 20 10 DGCDRN C[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000866442677 622119176 /nfs/dbraw/zinc/11/91/76/622119176.db2.gz QKJZWDRGRRXDRU-LHLIQPBNSA-N 0 0 314.159 3.366 20 10 DGCDRN COc1ccc(N(C[C@@H]2CC3(CC3)C(=O)O2)[C@@H](C)C2CC2)cc1 ZINC000763730424 622160233 /nfs/dbraw/zinc/16/02/33/622160233.db2.gz RXCWKAKGLNVZKM-GUYCJALGSA-N 0 0 315.413 3.396 20 10 DGCDRN CCO[C@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)C1CCCC1 ZINC000866763232 622163176 /nfs/dbraw/zinc/16/31/76/622163176.db2.gz CMDSNJPERKJKKO-SJCJKPOMSA-N 0 0 321.417 3.173 20 10 DGCDRN C[C@@H](NC(=O)Cc1cccnc1Cl)c1ccc(N(C)C)cc1 ZINC000867502762 622169265 /nfs/dbraw/zinc/16/92/65/622169265.db2.gz CPDZDOJBULWTND-GFCCVEGCSA-N 0 0 317.820 3.221 20 10 DGCDRN C[C@H](NC(=O)c1ccc(C=O)s1)c1ccc(N(C)C)cc1 ZINC000867503323 622169595 /nfs/dbraw/zinc/16/95/95/622169595.db2.gz JWECGWMVCXRJCE-NSHDSACASA-N 0 0 302.399 3.118 20 10 DGCDRN Cc1cnc(F)c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000867504234 622169687 /nfs/dbraw/zinc/16/96/87/622169687.db2.gz UDAUOSVWSOOQDE-LBPRGKRZSA-N 0 0 301.365 3.086 20 10 DGCDRN Cc1ccc(CS(=O)(=O)N[C@@H](C)c2ccccc2O)cc1C ZINC000867833850 622187247 /nfs/dbraw/zinc/18/72/47/622187247.db2.gz CCYNLYVVACFWFU-AWEZNQCLSA-N 0 0 319.426 3.190 20 10 DGCDRN Cc1cc(C)cc(CS(=O)(=O)N[C@H](C)c2ccccc2O)c1 ZINC000867834750 622187454 /nfs/dbraw/zinc/18/74/54/622187454.db2.gz MCEAOWTUCNWXJE-CQSZACIVSA-N 0 0 319.426 3.190 20 10 DGCDRN COc1ccc(N(C)Cc2nnsc2Cl)cc1Cl ZINC000121896723 622189956 /nfs/dbraw/zinc/18/99/56/622189956.db2.gz COXWVNLKJJHFCV-UHFFFAOYSA-N 0 0 304.202 3.490 20 10 DGCDRN C[C@H](CCc1ccco1)NC(=O)N[C@H](C)c1ccccc1O ZINC000867984827 622200099 /nfs/dbraw/zinc/20/00/99/622200099.db2.gz PHNIHUBJMPBPJA-CHWSQXEVSA-N 0 0 302.374 3.367 20 10 DGCDRN Nc1ccc(NC(=O)N2CCC[C@@H](OC3CCC3)CC2)cc1 ZINC000868162149 622220144 /nfs/dbraw/zinc/22/01/44/622220144.db2.gz DTLRDTPTGPCQHU-MRXNPFEDSA-N 0 0 303.406 3.224 20 10 DGCDRN Cc1csc([C@@H](C)NC(=O)N[C@@H](C)c2ccccc2O)n1 ZINC000868205351 622225862 /nfs/dbraw/zinc/22/58/62/622225862.db2.gz YSWQFBPIBOBTHU-WDEREUQCSA-N 0 0 305.403 3.279 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H](C)CCc1cccn1C)c1ccccc1O ZINC000868317402 622233963 /nfs/dbraw/zinc/23/39/63/622233963.db2.gz IFLRBIRXDOPKQI-UONOGXRCSA-N 0 0 315.417 3.112 20 10 DGCDRN COCCC1(CNC(=O)N[C@@H](C)c2ccccc2O)CCCC1 ZINC000868400141 622240321 /nfs/dbraw/zinc/24/03/21/622240321.db2.gz FLCYGNQQLKUSQU-AWEZNQCLSA-N 0 0 320.433 3.349 20 10 DGCDRN COc1cccc(CNc2ccc3c(c2)NC(=O)CS3)c1O ZINC000122151306 622241853 /nfs/dbraw/zinc/24/18/53/622241853.db2.gz VKAUWEYUVTYQJN-UHFFFAOYSA-N 0 0 316.382 3.057 20 10 DGCDRN CC(C)C[C@@H]1C[C@@H](NC(=O)N[C@H](C)c2ccccc2O)CCO1 ZINC000868479847 622247929 /nfs/dbraw/zinc/24/79/29/622247929.db2.gz LKCUIUHFTXQGDW-QLFBSQMISA-N 0 0 320.433 3.346 20 10 DGCDRN Cc1csc([C@H](C)CNC(=O)N[C@H](C)c2ccccc2O)n1 ZINC000868496106 622249976 /nfs/dbraw/zinc/24/99/76/622249976.db2.gz CUWWOBWAMPZLAP-ZYHUDNBSSA-N 0 0 319.430 3.321 20 10 DGCDRN CC(=O)CCN(C)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000765450311 622266066 /nfs/dbraw/zinc/26/60/66/622266066.db2.gz IAXGQGHNLWDKSE-UHFFFAOYSA-N 0 0 316.376 3.284 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ncncc1Br ZINC000765505616 622268978 /nfs/dbraw/zinc/26/89/78/622268978.db2.gz KSDFYDIAJPROCZ-UHFFFAOYSA-N 0 0 321.222 3.226 20 10 DGCDRN CC(C)[C@@H]1C[C@@H](CNC(=O)N[C@H](C)c2ccccc2O)CCO1 ZINC000868671731 622271313 /nfs/dbraw/zinc/27/13/13/622271313.db2.gz CMIOCPSQIUXEAU-KEYYUXOJSA-N 0 0 320.433 3.204 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1C[C@]1(F)c1ccccc1)c1ccccc1O ZINC000868725798 622277877 /nfs/dbraw/zinc/27/78/77/622277877.db2.gz PHNSGVLNJHYQML-IWEFOYFVSA-N 0 0 314.360 3.390 20 10 DGCDRN Cc1ccc(C(=O)N(C)Cc2cc(Cl)ccc2F)c(O)c1O ZINC000765636718 622278915 /nfs/dbraw/zinc/27/89/15/622278915.db2.gz XIGNAQCONJCDGI-UHFFFAOYSA-N 0 0 323.751 3.471 20 10 DGCDRN CS[C@@H]1CCCC[C@H]1NC(=O)N[C@H](C)c1ccccc1O ZINC000868740736 622279167 /nfs/dbraw/zinc/27/91/67/622279167.db2.gz RPLSQSOSKSBVON-UXIGCNINSA-N 0 0 308.447 3.427 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1n[nH]c2ccccc21 ZINC000765654227 622279727 /nfs/dbraw/zinc/27/97/27/622279727.db2.gz HHQAISAGSUDHCZ-UHFFFAOYSA-N 0 0 308.385 3.028 20 10 DGCDRN C[C@H](NC(=O)NCC[C@@]1(C)C[C@@]1(F)Cl)c1ccccc1O ZINC000868742847 622279725 /nfs/dbraw/zinc/27/97/25/622279725.db2.gz DSSMXMDXTMCUMU-LKTVYLICSA-N 0 0 314.788 3.457 20 10 DGCDRN CC[C@H](NC(=O)N[C@@H](C)c1ccccc1O)[C@@H]1CCCCO1 ZINC000868754257 622281385 /nfs/dbraw/zinc/28/13/85/622281385.db2.gz HLIQCOPCJIGJTJ-NOLJZWGESA-N 0 0 306.406 3.100 20 10 DGCDRN C[C@@H](CC(=O)NCc1cccc(Br)c1O)C1CC1 ZINC000765733236 622284980 /nfs/dbraw/zinc/28/49/80/622284980.db2.gz VSLJQNXAVWEQNR-VIFPVBQESA-N 0 0 312.207 3.207 20 10 DGCDRN C[C@H](NC(=O)NCC[C@@H]1CC1(Cl)Cl)c1ccccc1O ZINC000868796979 622286179 /nfs/dbraw/zinc/28/61/79/622286179.db2.gz ZNXDVGALXWXOTN-VHSXEESVSA-N 0 0 317.216 3.336 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NCC[C@@H]2CCSC2)cc1 ZINC000868833594 622290881 /nfs/dbraw/zinc/29/08/81/622290881.db2.gz RNKSEXBSRNJNMA-OAHLLOKOSA-N 0 0 321.490 3.037 20 10 DGCDRN C[C@H](NC(=O)N[C@H](C1CCC1)[C@H]1CCCO1)c1ccccc1O ZINC000868988700 622306662 /nfs/dbraw/zinc/30/66/62/622306662.db2.gz AZIIZEGSKZSRHV-JCURWCKSSA-N 0 0 318.417 3.100 20 10 DGCDRN COc1ccc2c(c1)CCCCN2Cc1ccc2c(c1)nnn2C ZINC000766267958 622316160 /nfs/dbraw/zinc/31/61/60/622316160.db2.gz DJGHAJOCCHYOTL-UHFFFAOYSA-N 0 0 322.412 3.320 20 10 DGCDRN COc1ccc2c(c1)CCCCN2CCOC[C@@H]1CCCO1 ZINC000766270831 622316433 /nfs/dbraw/zinc/31/64/33/622316433.db2.gz UYRJNATUVXBERR-KRWDZBQOSA-N 0 0 305.418 3.034 20 10 DGCDRN COc1ccc2c(c1)CCCCN2CC(=O)N1CCC[C@H](C)C1 ZINC000766270924 622316500 /nfs/dbraw/zinc/31/65/00/622316500.db2.gz WZGJCAXLEWATLO-HNNXBMFYSA-N 0 0 316.445 3.096 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cn1ncn(C2CC2)c1=S ZINC000766341025 622323150 /nfs/dbraw/zinc/32/31/50/622323150.db2.gz IVEAKJMRUHYVAA-UHFFFAOYSA-N 0 0 316.430 3.168 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1coc(C2CCC2)n1 ZINC000766685947 622346795 /nfs/dbraw/zinc/34/67/95/622346795.db2.gz WPJXPQLSYCHRCL-UHFFFAOYSA-N 0 0 313.401 3.247 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NOCC(F)(F)F)cc1 ZINC000766767876 622351724 /nfs/dbraw/zinc/35/17/24/622351724.db2.gz GZMMZLIQZFAOMR-UHFFFAOYSA-N 0 0 312.291 3.318 20 10 DGCDRN Cc1csc(CCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000766909964 622360794 /nfs/dbraw/zinc/36/07/94/622360794.db2.gz KVRVFHKJAQHXCP-CYBMUJFWSA-N 0 0 317.458 3.328 20 10 DGCDRN Cc1cc(Cl)ccc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000122794829 622406749 /nfs/dbraw/zinc/40/67/49/622406749.db2.gz BNEMABAKDGILPW-UHFFFAOYSA-N 0 0 305.761 3.032 20 10 DGCDRN CCN(CC)c1ccc(CN(C)Cc2cc(C)n(C)n2)cc1 ZINC000767887229 622426066 /nfs/dbraw/zinc/42/60/66/622426066.db2.gz HYZWWZMJXKRLAC-UHFFFAOYSA-N 0 0 300.450 3.207 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cccc(C(C)=O)c2)c1 ZINC000767957418 622430274 /nfs/dbraw/zinc/43/02/74/622430274.db2.gz HNIZCCGZAUMRLJ-NSHDSACASA-N 0 0 313.353 3.094 20 10 DGCDRN CC1(C)CCCC[C@@H]1CC(=O)NCCc1ccc(O)c(O)c1 ZINC000122925417 622432251 /nfs/dbraw/zinc/43/22/51/622432251.db2.gz UJTWVBNJUNKWON-CQSZACIVSA-N 0 0 305.418 3.363 20 10 DGCDRN CN1C(=O)c2ccccc2N[C@H]1c1cc(Cl)cc(F)c1O ZINC000768266991 622448036 /nfs/dbraw/zinc/44/80/36/622448036.db2.gz ZHORAXFTPUGZEJ-CQSZACIVSA-N 0 0 306.724 3.381 20 10 DGCDRN CC(C)O[C@H]1C[C@H](NC(=O)N(C)Cc2ccccc2O)C1(C)C ZINC000768450547 622457541 /nfs/dbraw/zinc/45/75/41/622457541.db2.gz QXOQYONEFQXIFX-HOTGVXAUSA-N 0 0 320.433 3.126 20 10 DGCDRN Cc1cccc2c1CCCN2Cc1cc2c(cc1O)OC[C@H]2O ZINC000768462908 622458303 /nfs/dbraw/zinc/45/83/03/622458303.db2.gz OWRWOHPTUKHKFM-GOSISDBHSA-N 0 0 311.381 3.079 20 10 DGCDRN Cc1cccc(C)c1OCC(=O)NCc1ccc(N(C)C)cc1 ZINC000018214938 622474213 /nfs/dbraw/zinc/47/42/13/622474213.db2.gz QSNKVQNDGPRPSA-UHFFFAOYSA-N 0 0 312.413 3.065 20 10 DGCDRN O=S(=O)(/C=C/c1cccc(Cl)c1)NCc1ccccc1O ZINC000768845784 622480505 /nfs/dbraw/zinc/48/05/05/622480505.db2.gz GVMWHRGHXPHMAS-CMDGGOBGSA-N 0 0 323.801 3.136 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@H](F)c2ccccc2)cc1F ZINC000768988199 622490265 /nfs/dbraw/zinc/49/02/65/622490265.db2.gz PEEPKIFTBNFFJT-INIZCTEOSA-N 0 0 304.340 3.219 20 10 DGCDRN CN1CCCc2cc(CNC(=O)[C@H](F)c3ccccc3)ccc21 ZINC000768990742 622490573 /nfs/dbraw/zinc/49/05/73/622490573.db2.gz ZYWIWOQQYJOFLF-GOSISDBHSA-N 0 0 312.388 3.396 20 10 DGCDRN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H](C)S1 ZINC000769140201 622501424 /nfs/dbraw/zinc/50/14/24/622501424.db2.gz DNVCAWIFGXNUTC-DTORHVGOSA-N 0 0 316.810 3.280 20 10 DGCDRN Cc1cnc(N2CCN(Cc3c(O)cccc3Cl)CC2)s1 ZINC000769456304 622529268 /nfs/dbraw/zinc/52/92/68/622529268.db2.gz ISVVXNXXFIKMOT-UHFFFAOYSA-N 0 0 323.849 3.133 20 10 DGCDRN Oc1cccc(Cl)c1C[N@@H+]1CC[C@H](Oc2ccccn2)C1 ZINC000769505957 622535383 /nfs/dbraw/zinc/53/53/83/622535383.db2.gz LNRRCYVDPXXXDK-LBPRGKRZSA-N 0 0 304.777 3.094 20 10 DGCDRN CC[C@@H]1CN(Cc2c(O)cccc2Cl)CCN1CC(F)F ZINC000769513378 622536416 /nfs/dbraw/zinc/53/64/16/622536416.db2.gz BYKQHVDIOKHZLS-LLVKDONJSA-N 0 0 318.795 3.207 20 10 DGCDRN CCOc1ccc(CN2CCO[C@@H](c3ccsc3)C2)c(O)c1 ZINC000769516180 622537587 /nfs/dbraw/zinc/53/75/87/622537587.db2.gz ZYWJUCOOQGNRJL-QGZVFWFLSA-N 0 0 319.426 3.426 20 10 DGCDRN CCC1(CC)CN(Cc2c(O)cccc2Cl)CC[S@@]1=O ZINC000769558118 622540839 /nfs/dbraw/zinc/54/08/39/622540839.db2.gz SMPCPCJRHRHNTJ-FQEVSTJZSA-N 0 0 315.866 3.169 20 10 DGCDRN CN(C)c1ccc(/C=C/c2nccc(-c3cnn(C)c3)n2)cc1F ZINC000769614685 622544643 /nfs/dbraw/zinc/54/46/43/622544643.db2.gz MCKYJFBMTHYYSC-FNORWQNLSA-N 0 0 323.375 3.253 20 10 DGCDRN CN(C)c1ccc(/C=C\c2nccc(-c3cnn(C)c3)n2)cc1F ZINC000769614681 622544915 /nfs/dbraw/zinc/54/49/15/622544915.db2.gz MCKYJFBMTHYYSC-ALCCZGGFSA-N 0 0 323.375 3.253 20 10 DGCDRN Cc1ccc(OCCC(=O)N2Cc3cccc(O)c3C2)cc1C ZINC000871199284 622565999 /nfs/dbraw/zinc/56/59/99/622565999.db2.gz VBRANYQOUCOQKB-UHFFFAOYSA-N 0 0 311.381 3.320 20 10 DGCDRN O=C([C@@H]1SCCc2sccc21)N1Cc2cccc(O)c2C1 ZINC000871203364 622567237 /nfs/dbraw/zinc/56/72/37/622567237.db2.gz YRKGEQIVNQMPDV-OAHLLOKOSA-N 0 0 317.435 3.327 20 10 DGCDRN CC[C@@H]1CCCC[C@H]1OCC(=O)N1Cc2cccc(O)c2C1 ZINC000871203508 622567404 /nfs/dbraw/zinc/56/74/04/622567404.db2.gz AYKLMSGNCNTYFC-CXAGYDPISA-N 0 0 303.402 3.220 20 10 DGCDRN O=C(c1ccc(OC2CCCC2)nc1)N1Cc2cccc(O)c2C1 ZINC000871204396 622567899 /nfs/dbraw/zinc/56/78/99/622567899.db2.gz HTTGPFZWQBBLRD-UHFFFAOYSA-N 0 0 324.380 3.265 20 10 DGCDRN O=C(c1ccc2c(c1)CCCCC2=O)N1Cc2cccc(O)c2C1 ZINC000871205000 622567919 /nfs/dbraw/zinc/56/79/19/622567919.db2.gz ODFGNFZKMWMXMN-UHFFFAOYSA-N 0 0 321.376 3.457 20 10 DGCDRN O=C([C@@H]1CCCc2c(O)cccc21)N1Cc2cccc(O)c2C1 ZINC000871204932 622568023 /nfs/dbraw/zinc/56/80/23/622568023.db2.gz SRTUTYIOACQKLT-OAHLLOKOSA-N 0 0 309.365 3.060 20 10 DGCDRN O=C(C[C@@]12CCCC[C@@H]1C2(F)F)N1Cc2cccc(O)c2C1 ZINC000871206309 622568803 /nfs/dbraw/zinc/56/88/03/622568803.db2.gz ZEPYHJPGMWOPDQ-HOCLYGCPSA-N 0 0 307.340 3.450 20 10 DGCDRN Cc1cc(C(=O)NCc2ncccn2)c(C)n1-c1ccccc1C ZINC000770061876 622597158 /nfs/dbraw/zinc/59/71/58/622597158.db2.gz LGDVCGBFXINTDV-UHFFFAOYSA-N 0 0 320.396 3.123 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)c3nccs3)cc2)CC1 ZINC000770460814 622635923 /nfs/dbraw/zinc/63/59/23/622635923.db2.gz MWSGVAQBTMQQDZ-UHFFFAOYSA-N 0 0 315.442 3.309 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cccc2nccn21 ZINC000770659513 622657834 /nfs/dbraw/zinc/65/78/34/622657834.db2.gz UKZGSAYRDGYRLX-UHFFFAOYSA-N 0 0 309.369 3.092 20 10 DGCDRN Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1cccc(F)c1[O-] ZINC000770666455 622658664 /nfs/dbraw/zinc/65/86/64/622658664.db2.gz WMAIKHXJLSUALB-UHFFFAOYSA-N 0 0 313.376 3.443 20 10 DGCDRN CCN(CC)c1ccc(CN2CCO[C@@H](COC(C)C)C2)cc1 ZINC000770688541 622661582 /nfs/dbraw/zinc/66/15/82/622661582.db2.gz MMRZOUUSPARNAR-LJQANCHMSA-N 0 0 320.477 3.159 20 10 DGCDRN CC(C)[C@H](CNC(=O)c1c(F)ccc(O)c1O)c1ccccc1 ZINC000789957542 625587473 /nfs/dbraw/zinc/58/74/73/625587473.db2.gz UAYQCKOLTYUTQR-ZDUSSCGKSA-N 0 0 317.360 3.407 20 10 DGCDRN O=C(NCc1ccc2ccccc2c1)c1c(F)ccc(O)c1O ZINC000789954329 625587887 /nfs/dbraw/zinc/58/78/87/625587887.db2.gz HTNKOGOBZKGEHG-UHFFFAOYSA-N 0 0 311.312 3.320 20 10 DGCDRN CC(C)Nc1ccccc1NCC(=O)NCc1ccccc1F ZINC000871846940 622714855 /nfs/dbraw/zinc/71/48/55/622714855.db2.gz HNYUVWRGHOPJOI-UHFFFAOYSA-N 0 0 315.392 3.374 20 10 DGCDRN CCCOc1ccc(C[NH2+][C@@H](COC(C)(C)C)C(=O)[O-])cc1C ZINC000871877994 622727157 /nfs/dbraw/zinc/72/71/57/622727157.db2.gz APGDDLDPUIEAAW-HNNXBMFYSA-N 0 0 323.433 3.142 20 10 DGCDRN Cn1c(-c2ccccc2)cnc1SCCOC[C@H]1CCCO1 ZINC000123851898 622731883 /nfs/dbraw/zinc/73/18/83/622731883.db2.gz KZAUMQRTZSPATH-OAHLLOKOSA-N 0 0 318.442 3.375 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC2(CC2)C1 ZINC000771321863 622741864 /nfs/dbraw/zinc/74/18/64/622741864.db2.gz APVIYVYWMLCWJF-UHFFFAOYSA-N 0 0 301.434 3.147 20 10 DGCDRN C[C@@H](NC(=O)c1c(F)ccc(O)c1O)[C@@H](C)c1ccccc1 ZINC000789991706 625591870 /nfs/dbraw/zinc/59/18/70/625591870.db2.gz ZLQFTAXGJRYLHH-GHMZBOCLSA-N 0 0 303.333 3.159 20 10 DGCDRN CN(C(=O)Nc1c(-c2ccccn2)nc2ccccn21)C1CCC1 ZINC000888592124 622750722 /nfs/dbraw/zinc/75/07/22/622750722.db2.gz RJRCVYZWNIOVFR-UHFFFAOYSA-N 0 0 321.384 3.413 20 10 DGCDRN O=C(NCC1(Cc2ccc(F)cc2)CC1)C1=CC(=O)CS1 ZINC000771392827 622752613 /nfs/dbraw/zinc/75/26/13/622752613.db2.gz AXCGTSLZMFZWBF-UHFFFAOYSA-N 0 0 305.374 3.346 20 10 DGCDRN CCN(Cc1ncn(-c2ccccc2)n1)c1ccc(OC)cc1 ZINC000771449533 622761526 /nfs/dbraw/zinc/76/15/26/622761526.db2.gz ZSVRFIRJYCRGNI-UHFFFAOYSA-N 0 0 308.385 3.302 20 10 DGCDRN C/C=C\C[C@@H](CO)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000771611492 622780589 /nfs/dbraw/zinc/78/05/89/622780589.db2.gz LVMVQOAZDBFRHG-CHYADLBTSA-N 0 0 312.413 3.151 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCC[C@H](C)O ZINC000790084235 625602054 /nfs/dbraw/zinc/60/20/54/625602054.db2.gz PZRKNIUVFMDBRN-INIZCTEOSA-N 0 0 314.429 3.293 20 10 DGCDRN CN(C(=O)/C=C/c1cnn(C)c1)c1c(Cl)cccc1Cl ZINC000772353695 622888687 /nfs/dbraw/zinc/88/86/87/622888687.db2.gz APJDHLHYISYXJW-VOTSOKGWSA-N 0 0 310.184 3.403 20 10 DGCDRN COc1ccc2c(c1)CCN2Cc1cccc2c1OCCCO2 ZINC000772596962 622916058 /nfs/dbraw/zinc/91/60/58/622916058.db2.gz CQFZXLBGIALELN-UHFFFAOYSA-N 0 0 311.381 3.419 20 10 DGCDRN COc1ccc(COC(=O)/C=C\c2ccc(O)c(O)c2)cc1F ZINC000772764372 622936178 /nfs/dbraw/zinc/93/61/78/622936178.db2.gz FUXMKMBNFCICLU-DAXSKMNVSA-N 0 0 318.300 3.002 20 10 DGCDRN Cc1cccc(OCCOC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000772775230 622936859 /nfs/dbraw/zinc/93/68/59/622936859.db2.gz NIKIMCGAAKDDLG-SOFGYWHQSA-N 0 0 314.337 3.042 20 10 DGCDRN COc1ccc(N2CC[C@H](Nc3ccnc4ncccc34)C2)cc1 ZINC000872594211 622940308 /nfs/dbraw/zinc/94/03/08/622940308.db2.gz NQAHJRWVFACQPE-AWEZNQCLSA-N 0 0 320.396 3.329 20 10 DGCDRN C[C@H](NC(=O)c1ccnc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000772998892 622963000 /nfs/dbraw/zinc/96/30/00/622963000.db2.gz KWVWJEOHZUKABM-NSHDSACASA-N 0 0 303.793 3.292 20 10 DGCDRN C[C@@H](NC(=O)c1cc(C(C)(C)C)n[nH]1)c1ccc(N(C)C)cc1 ZINC000772998140 622963049 /nfs/dbraw/zinc/96/30/49/622963049.db2.gz WOJKRWBYEVVNIU-GFCCVEGCSA-N 0 0 314.433 3.264 20 10 DGCDRN C[C@H](NC(=O)C[C@H]1CSCCS1)c1ccc(N(C)C)cc1 ZINC000773001603 622963942 /nfs/dbraw/zinc/96/39/42/622963942.db2.gz VOCSCLOIEOMCQD-WFASDCNBSA-N 0 0 324.515 3.169 20 10 DGCDRN CC(C)c1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)[nH]n1 ZINC000773008605 622964948 /nfs/dbraw/zinc/96/49/48/622964948.db2.gz HFTYMCAACYKHMU-GFCCVEGCSA-N 0 0 300.406 3.090 20 10 DGCDRN C[C@@H](NC(=O)c1cc(Cl)cn1C)c1ccc(N(C)C)cc1 ZINC000773011204 622965738 /nfs/dbraw/zinc/96/57/38/622965738.db2.gz DKQBJLGUCHTJDC-LLVKDONJSA-N 0 0 305.809 3.236 20 10 DGCDRN COC1(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCCCC1 ZINC000773010274 622966339 /nfs/dbraw/zinc/96/63/39/622966339.db2.gz NUFYRJJALSFZGJ-AWEZNQCLSA-N 0 0 304.434 3.279 20 10 DGCDRN C[C@H](NC(=O)[C@@H]1COc2ccccc21)c1ccc(N(C)C)cc1 ZINC000773015009 622968085 /nfs/dbraw/zinc/96/80/85/622968085.db2.gz MXQYWGGQNLKQLO-SUMWQHHRSA-N 0 0 310.397 3.106 20 10 DGCDRN COc1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(F)c1 ZINC000773020765 622969121 /nfs/dbraw/zinc/96/91/21/622969121.db2.gz VNWISJNALMWKRH-LBPRGKRZSA-N 0 0 316.376 3.391 20 10 DGCDRN Cc1nc(CCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000773020454 622969215 /nfs/dbraw/zinc/96/92/15/622969215.db2.gz USZZRTCMZLFYJR-LBPRGKRZSA-N 0 0 317.458 3.328 20 10 DGCDRN C[C@@H](NC(=O)CC[C@@H]1CCCCO1)c1ccc(N(C)C)cc1 ZINC000773028235 622969809 /nfs/dbraw/zinc/96/98/09/622969809.db2.gz ZJEBGSAXKVDEAT-PBHICJAKSA-N 0 0 304.434 3.279 20 10 DGCDRN Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000773089071 622981721 /nfs/dbraw/zinc/98/17/21/622981721.db2.gz RBRRAVDUEUAJCN-LBPRGKRZSA-N 0 0 324.471 3.162 20 10 DGCDRN C[C@H](NC(=O)NOCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000773136882 622990053 /nfs/dbraw/zinc/99/00/53/622990053.db2.gz BPZAZXVIKRAJAB-AWEZNQCLSA-N 0 0 313.401 3.245 20 10 DGCDRN CS[C@@H]1CC[C@H](NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773337558 623014343 /nfs/dbraw/zinc/01/43/43/623014343.db2.gz AZDVQCFVJUSOJN-DUVNUKRYSA-N 0 0 321.490 3.397 20 10 DGCDRN CCOc1cccc(F)c1CNCc1ccc2c(c1)CCO2 ZINC000873035712 623022254 /nfs/dbraw/zinc/02/22/54/623022254.db2.gz JYCPGLIWTXBBOY-UHFFFAOYSA-N 0 0 301.361 3.449 20 10 DGCDRN C[C@@H](CC(F)(F)F)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773447413 623028188 /nfs/dbraw/zinc/02/81/88/623028188.db2.gz IVGPOZAINUGEFC-QWRGUYRKSA-N 0 0 317.355 3.454 20 10 DGCDRN COCCC(C)(C)CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773446624 623028220 /nfs/dbraw/zinc/02/82/20/623028220.db2.gz NZVNQEBQHACXFW-AWEZNQCLSA-N 0 0 321.465 3.176 20 10 DGCDRN O=[N+]([O-])c1c(F)nccc1NCc1c(O)ccc2c1CCCC2 ZINC000882029939 625614909 /nfs/dbraw/zinc/61/49/09/625614909.db2.gz QIVUCWOGCQOOQJ-UHFFFAOYSA-N 0 0 317.320 3.325 20 10 DGCDRN C[C@H](NC(=O)N1C[C@@H](C)OC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000773610015 623050559 /nfs/dbraw/zinc/05/05/59/623050559.db2.gz BTAFVGSSTJOWIX-KGLIPLIRSA-N 0 0 319.449 3.023 20 10 DGCDRN CCO[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773610732 623050656 /nfs/dbraw/zinc/05/06/56/623050656.db2.gz FVMAFPHVUHQLIB-WMLDXEAASA-N 0 0 319.449 3.024 20 10 DGCDRN CC[C@H]1CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCS1 ZINC000773613046 623050763 /nfs/dbraw/zinc/05/07/63/623050763.db2.gz OUMHCXIILIBUOL-BBRMVZONSA-N 0 0 321.490 3.351 20 10 DGCDRN C[C@@H](NC(=O)N1C[C@@H]2[C@H](C1)C2(C)C)c1ccc(N(C)C)cc1 ZINC000773613302 623050803 /nfs/dbraw/zinc/05/08/03/623050803.db2.gz PRULPGMOHPGZML-WQVCFCJDSA-N 0 0 301.434 3.111 20 10 DGCDRN COCC(C)(C)CC[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000873153489 623051370 /nfs/dbraw/zinc/05/13/70/623051370.db2.gz VEKWRVCEEIKGOQ-UHFFFAOYSA-N 0 0 316.785 3.106 20 10 DGCDRN C[C@@H](NC(=O)N(C)Cc1ccco1)c1ccc(N(C)C)cc1 ZINC000773621466 623051425 /nfs/dbraw/zinc/05/14/25/623051425.db2.gz ACQBHQVFEDIYDY-CYBMUJFWSA-N 0 0 301.390 3.248 20 10 DGCDRN C[C@H](NC(=O)NC[C@@H]1CC=CCC1)c1ccc(N(C)C)cc1 ZINC000773622654 623052311 /nfs/dbraw/zinc/05/23/11/623052311.db2.gz HAONAVGMFNJMHW-LSDHHAIUSA-N 0 0 301.434 3.469 20 10 DGCDRN COc1cccc(CNCc2noc3c2CC(C)(C)CC3)c1O ZINC000873175923 623062294 /nfs/dbraw/zinc/06/22/94/623062294.db2.gz WQSZZPJEPAZUQO-UHFFFAOYSA-N 0 0 316.401 3.194 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cncc2ccccc21 ZINC000773744376 623066151 /nfs/dbraw/zinc/06/61/51/623066151.db2.gz ALKUPJFNVDNTTI-LBPRGKRZSA-N 0 0 322.364 3.007 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1sccc1C1CC1 ZINC000773747624 623066423 /nfs/dbraw/zinc/06/64/23/623066423.db2.gz CEHDOTKSBFVNIE-JTQLQIEISA-N 0 0 317.410 3.398 20 10 DGCDRN Nc1ccc2c(c1)OCCN(Cc1cc(Cl)ccc1O)C2 ZINC000873220335 623079149 /nfs/dbraw/zinc/07/91/49/623079149.db2.gz RYANIGNVPLUOKY-UHFFFAOYSA-N 0 0 304.777 3.022 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NOC2CCCC2)cc1F ZINC000774716227 623180036 /nfs/dbraw/zinc/18/00/36/623180036.db2.gz PMJKNSGDQHFPQQ-UHFFFAOYSA-N 0 0 323.412 3.345 20 10 DGCDRN CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000774832148 623197461 /nfs/dbraw/zinc/19/74/61/623197461.db2.gz JGTLXNSDBPSTSP-ZWNOBZJWSA-N 0 0 314.223 3.059 20 10 DGCDRN COc1c(O)c(CNc2ccc(F)cc2C)ccc1[N+](=O)[O-] ZINC000774937353 623209401 /nfs/dbraw/zinc/20/94/01/623209401.db2.gz YCPDZBMVXIKVFE-UHFFFAOYSA-N 0 0 306.293 3.369 20 10 DGCDRN COc1c([O-])c(C[NH2+]Cc2ccc(C)c(F)c2)ccc1[N+](=O)[O-] ZINC000774950024 623211026 /nfs/dbraw/zinc/21/10/26/623211026.db2.gz BSDJUPXUJFADTK-UHFFFAOYSA-N 0 0 320.320 3.046 20 10 DGCDRN COc1c([O-])c(C[NH2+]C(C)(C)c2cccs2)ccc1[N+](=O)[O-] ZINC000775016083 623216992 /nfs/dbraw/zinc/21/69/92/623216992.db2.gz NXFBBWSCXBDYNL-UHFFFAOYSA-N 0 0 322.386 3.395 20 10 DGCDRN CCN(Cc1ccc([N+](=O)[O-])c(OC)c1O)c1ccccc1 ZINC000775054996 623222344 /nfs/dbraw/zinc/22/23/44/623222344.db2.gz FFXNTZFRLSMARU-UHFFFAOYSA-N 0 0 302.330 3.336 20 10 DGCDRN COc1c([O-])c(C[NH2+]CC(C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000775101171 623231480 /nfs/dbraw/zinc/23/14/80/623231480.db2.gz IRHPRBFAFACRSO-UHFFFAOYSA-N 0 0 310.394 3.327 20 10 DGCDRN C[C@@H](NC/C(Cl)=C\Cl)c1ccc(N2CCOCC2)cc1 ZINC000775255051 623246542 /nfs/dbraw/zinc/24/65/42/623246542.db2.gz NTGJQJOIHITBJK-HLVNSREUSA-N 0 0 315.244 3.493 20 10 DGCDRN C[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874187365 623247976 /nfs/dbraw/zinc/24/79/76/623247976.db2.gz AVDNEGSMAWMXDK-WCQYABFASA-N 0 0 302.378 3.405 20 10 DGCDRN CCCC(CCC)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000124919354 623251730 /nfs/dbraw/zinc/25/17/30/623251730.db2.gz JLWOHXDCJHHEQM-UHFFFAOYSA-N 0 0 318.461 3.356 20 10 DGCDRN C[C@H](NC(=O)Cc1n[nH]c2ccccc12)c1ccc(N(C)C)cc1 ZINC000775412554 623272199 /nfs/dbraw/zinc/27/21/99/623272199.db2.gz YMEUTNNNDPRSIY-ZDUSSCGKSA-N 0 0 322.412 3.049 20 10 DGCDRN CCNC(=O)[C@H](C)[NH2+][C@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775485224 623279242 /nfs/dbraw/zinc/27/92/42/623279242.db2.gz QRSIGUQQYKBZQM-GZMMTYOYSA-N 0 0 319.232 3.264 20 10 DGCDRN CC[C@@H]([NH2+][C@H](C)CC(N)=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000775513985 623283262 /nfs/dbraw/zinc/28/32/62/623283262.db2.gz PXZOSMLCYNSRIJ-GMSGAONNSA-N 0 0 305.205 3.004 20 10 DGCDRN CC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000775527613 623284923 /nfs/dbraw/zinc/28/49/23/623284923.db2.gz RTDBAAXGDQWLRQ-LDYMZIIASA-N 0 0 319.232 3.216 20 10 DGCDRN COC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCCCC1 ZINC000775562368 623289969 /nfs/dbraw/zinc/28/99/69/623289969.db2.gz IACKKZCBBIJJKT-GFCCVEGCSA-N 0 0 308.378 3.300 20 10 DGCDRN CCCn1cc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000775645756 623302488 /nfs/dbraw/zinc/30/24/88/623302488.db2.gz AQYDTHIARXFASJ-ZDUSSCGKSA-N 0 0 315.421 3.242 20 10 DGCDRN Cc1ccnc(N2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)c1 ZINC000775658221 623306554 /nfs/dbraw/zinc/30/65/54/623306554.db2.gz HQXQXBXIRJSYRG-UHFFFAOYSA-N 0 0 317.820 3.071 20 10 DGCDRN CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000775720271 623318078 /nfs/dbraw/zinc/31/80/78/623318078.db2.gz KPMKHXMBXUQURR-CABCVRRESA-N 0 0 324.852 3.267 20 10 DGCDRN Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)OC(C)(C)C)c1O ZINC000775727066 623319880 /nfs/dbraw/zinc/31/98/80/623319880.db2.gz HCKLOQSKKCCYGQ-HNNXBMFYSA-N 0 0 305.418 3.397 20 10 DGCDRN COc1ccc(O)c(CN2CCc3c(F)cc(F)cc3C2)c1 ZINC000775733822 623320680 /nfs/dbraw/zinc/32/06/80/623320680.db2.gz IOTHADNDAVCKPG-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN CC[C@@H](O)CCNC(=O)c1sccc1-n1c(C)ccc1C ZINC000125137900 623336611 /nfs/dbraw/zinc/33/66/11/623336611.db2.gz IQAZLVWWSRMHJD-CYBMUJFWSA-N 0 0 306.431 3.046 20 10 DGCDRN C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])[C@@H](C)C[N@@H+]1C ZINC000775987674 623360879 /nfs/dbraw/zinc/36/08/79/623360879.db2.gz VZQRUYNTGBPJGI-ZJUUUORDSA-N 0 0 303.233 3.223 20 10 DGCDRN CC[C@H]1[C@@H](C)CCN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000776126292 623382305 /nfs/dbraw/zinc/38/23/05/623382305.db2.gz AWGXRMBSORLITC-YOEHRIQHSA-N 0 0 315.461 3.399 20 10 DGCDRN C[C@H](NC(=O)c1ccc2[nH]cnc2c1)c1ccc(N(C)C)cc1 ZINC000776270382 623404405 /nfs/dbraw/zinc/40/44/05/623404405.db2.gz RQXDWWDAOIYGOG-LBPRGKRZSA-N 0 0 308.385 3.120 20 10 DGCDRN O=C(OCc1coc(-c2ccccc2)n1)c1cccc(O)c1O ZINC000776280707 623406530 /nfs/dbraw/zinc/40/65/30/623406530.db2.gz WMKAUMPRAJTDTK-UHFFFAOYSA-N 0 0 311.293 3.110 20 10 DGCDRN Cc1cc(C)c(C(=O)COC(=O)c2cccc(O)c2O)cc1C ZINC000776283053 623406856 /nfs/dbraw/zinc/40/68/56/623406856.db2.gz FZIHIZHDHBWTTQ-UHFFFAOYSA-N 0 0 314.337 3.063 20 10 DGCDRN C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1Cc2cccc(O)c2C1 ZINC000875081667 623414487 /nfs/dbraw/zinc/41/44/87/623414487.db2.gz KBXMECSMHYCWLU-DYVFJYSZSA-N 0 0 318.417 3.013 20 10 DGCDRN O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)c1cccc(O)c1O ZINC000776351189 623414861 /nfs/dbraw/zinc/41/48/61/623414861.db2.gz UXLHSLSCYJCCSA-GDBMZVCRSA-N 0 0 311.381 3.239 20 10 DGCDRN Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1Cc2cccc(O)c2C1 ZINC000875145544 623421140 /nfs/dbraw/zinc/42/11/40/623421140.db2.gz NNMDELYJOQUGPJ-KRWDZBQOSA-N 0 0 308.381 3.413 20 10 DGCDRN O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)N1Cc2cccc(O)c2C1 ZINC000875315455 623436721 /nfs/dbraw/zinc/43/67/21/623436721.db2.gz UBTNALRASDOZDJ-UMVBOHGHSA-N 0 0 300.402 3.386 20 10 DGCDRN CCOc1ccc(N(C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776585726 623444291 /nfs/dbraw/zinc/44/42/91/623444291.db2.gz ZTNGCYNVFIOZEV-QGZVFWFLSA-N 0 0 316.357 3.163 20 10 DGCDRN C[C@H](NC(=O)N[C@@H](c1cccnc1)C1CC1)c1ccccc1O ZINC000875432618 623450154 /nfs/dbraw/zinc/45/01/54/623450154.db2.gz VYCHDXXIDGVRIJ-YVEFUNNKSA-N 0 0 311.385 3.299 20 10 DGCDRN CCC(O)(CC)CN(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000875507098 623457581 /nfs/dbraw/zinc/45/75/81/623457581.db2.gz AKIGRMPYVXCYFD-CQSZACIVSA-N 0 0 321.465 3.006 20 10 DGCDRN Cc1cc(NS(=O)(=O)c2ccc3ncccc3c2)ccc1O ZINC000776747340 623459133 /nfs/dbraw/zinc/45/91/33/623459133.db2.gz BOTQSZQOYGEGLJ-UHFFFAOYSA-N 0 0 314.366 3.050 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cccc3nccn32)cc1 ZINC000776834466 623470058 /nfs/dbraw/zinc/47/00/58/623470058.db2.gz HLXRQGXZFBOTSD-UHFFFAOYSA-N 0 0 322.412 3.111 20 10 DGCDRN Cc1ccc(CCNC(=O)N2Cc3cccc(O)c3C2)cc1C ZINC000875736508 623485999 /nfs/dbraw/zinc/48/59/99/623485999.db2.gz WYMKLNLXYFHYBP-UHFFFAOYSA-N 0 0 310.397 3.277 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCC[C@H]1CCCOC1 ZINC000875774986 623491435 /nfs/dbraw/zinc/49/14/35/623491435.db2.gz IXLFSLVIEUVBRX-OAHLLOKOSA-N 0 0 320.433 3.131 20 10 DGCDRN COc1cc(N(C)CCc2cccs2)cc(OC)c1OC ZINC000125687811 623520521 /nfs/dbraw/zinc/52/05/21/623520521.db2.gz QZHSIWQDXCNNIF-UHFFFAOYSA-N 0 0 307.415 3.453 20 10 DGCDRN COc1cccc(O)c1CN(C)Cc1cc(F)c(F)c(F)c1 ZINC000777440308 623526278 /nfs/dbraw/zinc/52/62/78/623526278.db2.gz ISWSODXFRUJMKA-UHFFFAOYSA-N 0 0 311.303 3.450 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccnc(F)c1 ZINC000876041249 623531084 /nfs/dbraw/zinc/53/10/84/623531084.db2.gz JLTUMYDILOJXKU-UHFFFAOYSA-N 0 0 317.364 3.048 20 10 DGCDRN CCOc1ccc(CNc2nnc(CC(C)C)s2)c(O)c1 ZINC000777508223 623533801 /nfs/dbraw/zinc/53/38/01/623533801.db2.gz ISDCWDYDZJRPMW-UHFFFAOYSA-N 0 0 307.419 3.453 20 10 DGCDRN CN(C)c1ccc(CNc2ccc(-n3ccnc3)nc2)cc1F ZINC000777513961 623534137 /nfs/dbraw/zinc/53/41/37/623534137.db2.gz KLYFQOKNHUMDIZ-UHFFFAOYSA-N 0 0 311.364 3.085 20 10 DGCDRN CCC[C@]1(C)NC(=O)N(Cc2ccc(N(CC)CC)cc2)C1=O ZINC000777599131 623547439 /nfs/dbraw/zinc/54/74/39/623547439.db2.gz DURXNXQGTAVZRY-SFHVURJKSA-N 0 0 317.433 3.143 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NOC2CCCCC2)cc1 ZINC000777715663 623560218 /nfs/dbraw/zinc/56/02/18/623560218.db2.gz WRJSYHZHADZTBL-UHFFFAOYSA-N 0 0 305.422 3.158 20 10 DGCDRN C[C@@H]([NH2+]CCCCCO)c1cc(Br)c(F)cc1[O-] ZINC000790496621 625660975 /nfs/dbraw/zinc/66/09/75/625660975.db2.gz WYCDNGHHAHGELM-SECBINFHSA-N 0 0 320.202 3.107 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1N(C)CCCC1(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000790497199 625660990 /nfs/dbraw/zinc/66/09/90/625660990.db2.gz LTWBPAAHHLAYCF-LRDDRELGSA-N 0 0 321.421 3.071 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2ccc(Cl)cc2C)c1 ZINC000125921396 623604419 /nfs/dbraw/zinc/60/44/19/623604419.db2.gz IBBUWAZXWQZBQN-UHFFFAOYSA-N 0 0 305.761 3.293 20 10 DGCDRN Nc1ccc(NC(=O)[C@@H]2CCCn3cc(C(F)(F)F)nc32)cc1 ZINC000876504280 623629063 /nfs/dbraw/zinc/62/90/63/623629063.db2.gz LNUPMSTXPVBTRY-LLVKDONJSA-N 0 0 324.306 3.000 20 10 DGCDRN O=C(NCCCSc1nccs1)[C@@H](F)Cc1ccccc1 ZINC000778274218 623634128 /nfs/dbraw/zinc/63/41/28/623634128.db2.gz ZZHZTGLLMNOKJS-ZDUSSCGKSA-N 0 0 324.446 3.322 20 10 DGCDRN CCN(Cc1ccc(C)cc1O)Cc1nc2ccccc2c(=O)[nH]1 ZINC000876532132 623635532 /nfs/dbraw/zinc/63/55/32/623635532.db2.gz YJEDNGFROVLBAT-UHFFFAOYSA-N 0 0 323.396 3.372 20 10 DGCDRN CCCN(Cc1ccccc1F)C(=O)c1cccc(O)c1O ZINC000790523780 625664689 /nfs/dbraw/zinc/66/46/89/625664689.db2.gz XOGFWSYHCOLBFI-UHFFFAOYSA-N 0 0 303.333 3.289 20 10 DGCDRN C[C@@H](NC(=O)N1CCSCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000790503807 625662070 /nfs/dbraw/zinc/66/20/70/625662070.db2.gz XRQPSWXAZSEPPJ-ZIAGYGMSSA-N 0 0 321.490 3.351 20 10 DGCDRN O=C(CC12CC3CC(CC(C3)C1)C2)NCc1ccc(O)c(O)c1 ZINC000778919097 623711148 /nfs/dbraw/zinc/71/11/48/623711148.db2.gz TUQCUVJYUKKBFC-UHFFFAOYSA-N 0 0 315.413 3.321 20 10 DGCDRN Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000876805892 623711357 /nfs/dbraw/zinc/71/13/57/623711357.db2.gz HOHZUFHHBZAHPN-CQSZACIVSA-N 0 0 307.344 3.049 20 10 DGCDRN C[C@@H]1CCN(Cc2cc(Br)ccc2O)C[C@@H]1F ZINC000779148224 623735447 /nfs/dbraw/zinc/73/54/47/623735447.db2.gz GYBCNLOWEXVILV-SKDRFNHKSA-N 0 0 302.187 3.335 20 10 DGCDRN CCOc1ccc(C[NH2+]Cc2ccc(F)c(F)c2[O-])cc1OC ZINC000876928555 623746528 /nfs/dbraw/zinc/74/65/28/623746528.db2.gz ITAZNKBVOULNGU-UHFFFAOYSA-N 0 0 323.339 3.368 20 10 DGCDRN COc1ccc(CC[NH2+]Cc2ccc(F)c(F)c2[O-])cc1F ZINC000877006278 623764410 /nfs/dbraw/zinc/76/44/10/623764410.db2.gz HUQMTCBZAHMUMX-UHFFFAOYSA-N 0 0 311.303 3.150 20 10 DGCDRN COc1ccc(C2([NH2+]Cc3ccc(F)c(F)c3[O-])CC2)cc1 ZINC000877008341 623765221 /nfs/dbraw/zinc/76/52/21/623765221.db2.gz PBMYQYWAENAZMP-UHFFFAOYSA-N 0 0 305.324 3.458 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](c1cccs1)C1CC1 ZINC000779492070 623775035 /nfs/dbraw/zinc/77/50/35/623775035.db2.gz BJYREFZSGNLDEN-AUNFYEFLSA-N 0 0 315.394 3.440 20 10 DGCDRN C[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000779499609 623775208 /nfs/dbraw/zinc/77/52/08/623775208.db2.gz NNKDXTOKZJBZIN-PPFSTCQPSA-N 0 0 315.344 3.170 20 10 DGCDRN Cc1cccc2c1CCCN2C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779522093 623776607 /nfs/dbraw/zinc/77/66/07/623776607.db2.gz RBZDIPKSNRSRED-CSKARUKUSA-N 0 0 309.365 3.399 20 10 DGCDRN C[C@@H]1CCC[C@@H](CCNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000779517633 623776760 /nfs/dbraw/zinc/77/67/60/623776760.db2.gz CGEAABCNJQCRLH-RNUUNTDPSA-N 0 0 303.402 3.444 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000779525696 623777476 /nfs/dbraw/zinc/77/74/76/623777476.db2.gz QUQKZAIUPGKNOS-XVOOEYNZSA-N 0 0 301.386 3.196 20 10 DGCDRN CC1(C)c2ccccc2CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779544737 623777978 /nfs/dbraw/zinc/77/79/78/623777978.db2.gz NOENQLQFSQBPKC-CSKARUKUSA-N 0 0 323.392 3.431 20 10 DGCDRN COC(=O)Cc1cccc(NCc2c(O)cccc2Cl)c1 ZINC000779595492 623780459 /nfs/dbraw/zinc/78/04/59/623780459.db2.gz AIBHQVKYQVPYNN-UHFFFAOYSA-N 0 0 305.761 3.373 20 10 DGCDRN C[C@@H](CC(=O)N(C)c1ccc(N)cc1)N1CCc2ccccc21 ZINC000877074659 623785056 /nfs/dbraw/zinc/78/50/56/623785056.db2.gz OKEQFOGQYJTRBU-AWEZNQCLSA-N 0 0 309.413 3.073 20 10 DGCDRN CC[C@H](Nc1cccnc1Cl)C(=O)N(C)c1ccc(N)cc1 ZINC000877076737 623785278 /nfs/dbraw/zinc/78/52/78/623785278.db2.gz QGXKHURCDMUXSH-ZDUSSCGKSA-N 0 0 318.808 3.171 20 10 DGCDRN CN(C(=O)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12)c1ccc(N)cc1 ZINC000877074350 623785293 /nfs/dbraw/zinc/78/52/93/623785293.db2.gz HTEROGRAPJVZKT-GVDBMIGSSA-N 0 0 312.800 3.471 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@H](O)c1cccc(F)c1 ZINC000877083745 623787197 /nfs/dbraw/zinc/78/71/97/623787197.db2.gz PEQRWFUGZWOMLJ-PSLIRLAXSA-N 0 0 311.303 3.021 20 10 DGCDRN [O-]c1c(C[NH2+]CC2([C@@H](O)c3ccccc3)CC2)ccc(F)c1F ZINC000877110755 623793064 /nfs/dbraw/zinc/79/30/64/623793064.db2.gz AZGKRBRFUOOQQN-KRWDZBQOSA-N 0 0 319.351 3.274 20 10 DGCDRN COc1ccc(N(CC2CC2)C(=O)Cc2ccc(N)cc2)cc1 ZINC000877144782 623806273 /nfs/dbraw/zinc/80/62/73/623806273.db2.gz WDZGIRWLDAOSMF-UHFFFAOYSA-N 0 0 310.397 3.263 20 10 DGCDRN Cc1cccc(NC(=S)NNc2cccc(F)c2[N+](=O)[O-])c1 ZINC000790610210 625677634 /nfs/dbraw/zinc/67/76/34/625677634.db2.gz XQXUSQFEFCXURI-UHFFFAOYSA-N 0 0 320.349 3.356 20 10 DGCDRN COCC[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccc(C)o1 ZINC000877166977 623814147 /nfs/dbraw/zinc/81/41/47/623814147.db2.gz KABUPYRKUJJEFO-CYBMUJFWSA-N 0 0 311.328 3.439 20 10 DGCDRN CC[C@H](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000779875587 623825091 /nfs/dbraw/zinc/82/50/91/623825091.db2.gz ZZSMBTIWHMUNDI-XHSDSOJGSA-N 0 0 318.461 3.383 20 10 DGCDRN CC/C(C)=C(\C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000779874636 623825600 /nfs/dbraw/zinc/82/56/00/623825600.db2.gz RJLDWTLTRCEYRW-UTZKEFOASA-N 0 0 316.445 3.447 20 10 DGCDRN CCOc1ccccc1[C@@H](CC)NC(=O)c1cccc(O)c1O ZINC000790621368 625678587 /nfs/dbraw/zinc/67/85/87/625678587.db2.gz ODELKQSHWSJGNC-CQSZACIVSA-N 0 0 315.369 3.378 20 10 DGCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1=CCC1 ZINC000779962853 623841265 /nfs/dbraw/zinc/84/12/65/623841265.db2.gz HFIBFQSEIYUHMC-ZDUSSCGKSA-N 0 0 322.355 3.093 20 10 DGCDRN COCC[C@H](Cc1ccco1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877305528 623846517 /nfs/dbraw/zinc/84/65/17/623846517.db2.gz TXFDBDBTLNDTEH-GFCCVEGCSA-N 0 0 311.328 3.001 20 10 DGCDRN Cc1cccc(O)c1CN1CCSC[C@H]1c1nccs1 ZINC000877406489 623872096 /nfs/dbraw/zinc/87/20/96/623872096.db2.gz TXFHLGIRHMPYGV-ZDUSSCGKSA-N 0 0 306.456 3.447 20 10 DGCDRN [O-]c1c(C[NH2+][C@H]2CCOc3c(F)cccc32)ccc(F)c1F ZINC000877465712 623896572 /nfs/dbraw/zinc/89/65/72/623896572.db2.gz VMQBPAKONDOOKW-ZDUSSCGKSA-N 0 0 309.287 3.423 20 10 DGCDRN C[C@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000780296708 623907561 /nfs/dbraw/zinc/90/75/61/623907561.db2.gz CFJIBJHGIJKCFJ-GOEBONIOSA-N 0 0 301.434 3.275 20 10 DGCDRN Cc1noc([C@H]2CCCCN2Cc2ccc(F)c(F)c2[O-])n1 ZINC000877524135 623923246 /nfs/dbraw/zinc/92/32/46/623923246.db2.gz SBRKELHOGIOOLT-GFCCVEGCSA-N 0 0 309.316 3.089 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)ccc(F)c1F ZINC000877541523 623933835 /nfs/dbraw/zinc/93/38/35/623933835.db2.gz PKAGPYXRTBZAFF-CZUORRHYSA-N 0 0 309.356 3.204 20 10 DGCDRN [O-]c1c(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)ccc(F)c1F ZINC000877563463 623943737 /nfs/dbraw/zinc/94/37/37/623943737.db2.gz NRSJGRJSIVPSOJ-CFVMTHIKSA-N 0 0 311.372 3.186 20 10 DGCDRN CC(C)[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])C1(CO)CC=CC1 ZINC000877607756 623960503 /nfs/dbraw/zinc/96/05/03/623960503.db2.gz KTZODKLKUYBSFZ-MRXNPFEDSA-N 0 0 311.372 3.113 20 10 DGCDRN CCn1cc(C[N@H+](Cc2ccc(F)c(F)c2[O-])C(C)C)cn1 ZINC000877612324 623961958 /nfs/dbraw/zinc/96/19/58/623961958.db2.gz HQRQGXWRDIDXDH-UHFFFAOYSA-N 0 0 309.360 3.297 20 10 DGCDRN COC(=O)[C@@](C)(NCc1cccc(C)c1O)c1ccc(F)cc1 ZINC000877675726 623988212 /nfs/dbraw/zinc/98/82/12/623988212.db2.gz OXIXHXYTJFRCGK-SFHVURJKSA-N 0 0 317.360 3.018 20 10 DGCDRN CC[C@](NCc1cc(F)ccc1O)(C(=O)OC)c1ccccc1 ZINC000877676581 623988440 /nfs/dbraw/zinc/98/84/40/623988440.db2.gz YRCBZWZTGBSTGI-GOSISDBHSA-N 0 0 317.360 3.099 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)[C@@H]1CCCOC1 ZINC000780861657 623990450 /nfs/dbraw/zinc/99/04/50/623990450.db2.gz UFSMYTKYDOVCSI-GDBMZVCRSA-N 0 0 320.433 3.129 20 10 DGCDRN Cc1ccc(C(=O)N2CC[C@H](C)[C@H]3CCCC[C@@H]32)c(O)c1O ZINC000780888608 623994338 /nfs/dbraw/zinc/99/43/38/623994338.db2.gz LTSZZEMSLZUVGS-LNSITVRQSA-N 0 0 303.402 3.447 20 10 DGCDRN CCN(C(=O)c1ccc(C)c(O)c1O)c1ccccc1OC ZINC000780917438 623997991 /nfs/dbraw/zinc/99/79/91/623997991.db2.gz IEWWLWRSZNUQTR-UHFFFAOYSA-N 0 0 301.342 3.082 20 10 DGCDRN Cc1c(Br)cncc1CN1Cc2cccc(O)c2C1 ZINC000877702975 623998945 /nfs/dbraw/zinc/99/89/45/623998945.db2.gz MWMHNIHNBKVKFI-UHFFFAOYSA-N 0 0 319.202 3.374 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C)cc2OC)c1 ZINC000780935841 624000701 /nfs/dbraw/zinc/00/07/01/624000701.db2.gz MFADRTMABWMZHS-GFCCVEGCSA-N 0 0 315.369 3.209 20 10 DGCDRN Cc1ccc(C(=O)NC(C)(C)c2ccc(F)c(F)c2)c(O)c1O ZINC000780960621 624004915 /nfs/dbraw/zinc/00/49/15/624004915.db2.gz NGLZHXDXHFBITM-UHFFFAOYSA-N 0 0 321.323 3.350 20 10 DGCDRN CCOc1cc(C)ccc1CNC(=O)c1ccc(C)c(O)c1O ZINC000780966216 624005735 /nfs/dbraw/zinc/00/57/35/624005735.db2.gz BVEPTSIZXDLYHA-UHFFFAOYSA-N 0 0 315.369 3.043 20 10 DGCDRN Cc1cccc([C@H]2CCCN2C(=O)c2ccc(C)c(O)c2O)n1 ZINC000780983360 624007106 /nfs/dbraw/zinc/00/71/06/624007106.db2.gz MYKGTSHUUROSAA-OAHLLOKOSA-N 0 0 312.369 3.087 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000877739353 624012025 /nfs/dbraw/zinc/01/20/25/624012025.db2.gz RUIMFLLEYRWRAT-ONGXEEELSA-N 0 0 301.814 3.370 20 10 DGCDRN COC1CCC(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000781036601 624012256 /nfs/dbraw/zinc/01/22/56/624012256.db2.gz VIYYDVJMNRDWTK-BZOOQXSSSA-N 0 0 304.434 3.135 20 10 DGCDRN CC(C)(O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000877796716 624037077 /nfs/dbraw/zinc/03/70/77/624037077.db2.gz KOQUSEARFDZZSZ-LLVKDONJSA-N 0 0 301.789 3.168 20 10 DGCDRN Cc1csc([C@H]2CC[N@H+](Cc3ccc(F)c(F)c3[O-])C2)n1 ZINC000877813195 624044542 /nfs/dbraw/zinc/04/45/42/624044542.db2.gz DWVNBILWGOCVLT-NSHDSACASA-N 0 0 310.369 3.425 20 10 DGCDRN Cc1cccc2c1C(=O)N[C@H](c1cc(F)c(N(C)C)cc1F)N2 ZINC000877847826 624068295 /nfs/dbraw/zinc/06/82/95/624068295.db2.gz FGZUXFBTNKMAJC-MRXNPFEDSA-N 0 0 317.339 3.193 20 10 DGCDRN CN(C)c1ccc([C@H]2NC(C)(C)C(=O)N2c2ccccc2)cc1 ZINC000877857665 624071419 /nfs/dbraw/zinc/07/14/19/624071419.db2.gz XBGLTMVTPQVAGA-KRWDZBQOSA-N 0 0 309.413 3.166 20 10 DGCDRN Cc1cc(O)c([C@@H]2NC(C)(C)C(=O)N2c2ccccc2)cc1C ZINC000877857593 624071532 /nfs/dbraw/zinc/07/15/32/624071532.db2.gz VPTAVMXLGPRMQK-QGZVFWFLSA-N 0 0 310.397 3.423 20 10 DGCDRN Cc1cc(Br)c(O)c(CNc2nc(C3CC3)no2)c1 ZINC000781559999 624093005 /nfs/dbraw/zinc/09/30/05/624093005.db2.gz NGRKQNWDFDDDMS-UHFFFAOYSA-N 0 0 324.178 3.336 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@]2(C)CCCOC2)c1 ZINC000781638649 624111774 /nfs/dbraw/zinc/11/17/74/624111774.db2.gz MWVCBMHZZPCQEF-CQSZACIVSA-N 0 0 314.223 3.122 20 10 DGCDRN Cc1cc(C)c([N+](=O)[O-])c(N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000781658984 624118743 /nfs/dbraw/zinc/11/87/43/624118743.db2.gz GKLSSKBBOZOBOF-UHFFFAOYSA-N 0 0 314.389 3.309 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc(C2CC2)o1 ZINC000878009216 624133263 /nfs/dbraw/zinc/13/32/63/624133263.db2.gz WJWCDYSQEDUZAW-UHFFFAOYSA-N 0 0 313.401 3.280 20 10 DGCDRN C[C@@H]1CC[C@@]2(CCN(C(=O)/C=C\c3ccc(O)c(O)c3)C2)C1 ZINC000782110744 624205568 /nfs/dbraw/zinc/20/55/68/624205568.db2.gz LJYQTKMLVFLCFC-MTRFTSAKSA-N 0 0 301.386 3.150 20 10 DGCDRN C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)[C@@H]2CCCC[C@@H]21 ZINC000782252163 624227483 /nfs/dbraw/zinc/22/74/83/624227483.db2.gz VHVFVTJFGQMIHY-ZTFGCOKTSA-N 0 0 315.461 3.473 20 10 DGCDRN COc1ccc(N(C)Cc2nc3c(o2)CCCC3)c(OC)c1 ZINC000878294617 624238621 /nfs/dbraw/zinc/23/86/21/624238621.db2.gz NDHWDYGMFUHSJX-UHFFFAOYSA-N 0 0 302.374 3.207 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2C[C@H](C)O[C@H](C)[C@@H]2C)c1O ZINC000782630226 624269010 /nfs/dbraw/zinc/26/90/10/624269010.db2.gz ZAKQSBGVDKLPPN-JBLDHEPKSA-N 0 0 311.809 3.246 20 10 DGCDRN CN1C(=O)/C(=C/c2cc(Cl)cc3c2OCC3)SC1=S ZINC000782878974 624287009 /nfs/dbraw/zinc/28/70/09/624287009.db2.gz CPUSEQKXORBALN-POHAHGRESA-N 0 0 311.815 3.106 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCCS1 ZINC000783036801 624302990 /nfs/dbraw/zinc/30/29/90/624302990.db2.gz CQWUJWONGDYIRP-INIZCTEOSA-N 0 0 304.459 3.189 20 10 DGCDRN C[C@@H]1CCCC[C@H]1CC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783199650 624322930 /nfs/dbraw/zinc/32/29/30/624322930.db2.gz PRJRDRGFMIYWSO-NEPJUHHUSA-N 0 0 306.358 3.040 20 10 DGCDRN CN(C[C@H]1CCc2ncnn21)c1ccc(-c2nccs2)cc1 ZINC000878706960 624345665 /nfs/dbraw/zinc/34/56/65/624345665.db2.gz MUTIQUSGUOLAJL-CQSZACIVSA-N 0 0 311.414 3.025 20 10 DGCDRN Cc1cc([C@@H](NC(=O)c2cccc(O)c2O)C2CC2)ccc1F ZINC000790906365 625714453 /nfs/dbraw/zinc/71/44/53/625714453.db2.gz YVZFKJMFYVWTMG-INIZCTEOSA-N 0 0 315.344 3.426 20 10 DGCDRN O=C(NCC1(c2ccccc2Cl)CC1)c1cccc(O)c1O ZINC000790908499 625714702 /nfs/dbraw/zinc/71/47/02/625714702.db2.gz PBSJBIUNBORNBX-UHFFFAOYSA-N 0 0 317.772 3.213 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](O)C1CCCCC1 ZINC000783583067 624370244 /nfs/dbraw/zinc/37/02/44/624370244.db2.gz KBZIVEMMHOULNN-GOSISDBHSA-N 0 0 318.461 3.042 20 10 DGCDRN O=C(/C=C/c1ccc[nH]1)NCc1ccc(N2CCCCC2)cc1 ZINC000783586546 624370568 /nfs/dbraw/zinc/37/05/68/624370568.db2.gz WTJYTUQFMXWREH-DHZHZOJOSA-N 0 0 309.413 3.335 20 10 DGCDRN CCN1C(=O)/C(=C/c2cc(-n3ccnc3)cs2)SC1=S ZINC000783685231 624383752 /nfs/dbraw/zinc/38/37/52/624383752.db2.gz LEMCSJWRMVKVAZ-WDZFZDKYSA-N 0 0 321.452 3.155 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCC2(CCCC2)C1 ZINC000783845548 624400114 /nfs/dbraw/zinc/40/01/14/624400114.db2.gz HWMJFDLAILFRLP-FNORWQNLSA-N 0 0 301.386 3.294 20 10 DGCDRN C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000790934595 625717201 /nfs/dbraw/zinc/71/72/01/625717201.db2.gz NRZXYHORKYGJCC-ZWNOBZJWSA-N 0 0 301.789 3.310 20 10 DGCDRN CCOc1cccc(NC(=O)N[C@@H](C)c2ccccc2O)n1 ZINC000879205204 624450389 /nfs/dbraw/zinc/45/03/89/624450389.db2.gz GAGMTZQEBUOGRM-NSHDSACASA-N 0 0 301.346 3.069 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CC[C@@H](C(C)(C)C)C2)cc1OC ZINC000784227876 624458170 /nfs/dbraw/zinc/45/81/70/624458170.db2.gz XYXFHINSQPTDLI-LLVKDONJSA-N 0 0 308.378 3.484 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1-c1cn[nH]c1 ZINC000784469650 624528426 /nfs/dbraw/zinc/52/84/26/624528426.db2.gz UGHOFVSHIWDXDA-SOFGYWHQSA-N 0 0 321.336 3.140 20 10 DGCDRN CCN(Cc1cccnc1OC)c1ccc(OC)c(OC)c1 ZINC000785729503 624718771 /nfs/dbraw/zinc/71/87/71/624718771.db2.gz JLIXFLUQUKKQFZ-UHFFFAOYSA-N 0 0 302.374 3.134 20 10 DGCDRN CC[C@@H](C)OCC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000128183144 624775966 /nfs/dbraw/zinc/77/59/66/624775966.db2.gz UOLWCZKIOFFXPR-MRXNPFEDSA-N 0 0 318.461 3.354 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C)[C@H](C)OC)cc1 ZINC000786147812 624811533 /nfs/dbraw/zinc/81/15/33/624811533.db2.gz PXWTWZZZBWUVBY-GJZGRUSLSA-N 0 0 321.465 3.098 20 10 DGCDRN Cc1cccc(C[C@@H](CO)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000786574816 624923537 /nfs/dbraw/zinc/92/35/37/624923537.db2.gz GHFLOTRIPIAMNS-DOMZBBRYSA-N 0 0 321.367 3.233 20 10 DGCDRN Cc1cccc(C[C@@H](CO)[NH2+]Cc2cc(Cl)cc(F)c2[O-])c1 ZINC000786579189 624924993 /nfs/dbraw/zinc/92/49/93/624924993.db2.gz MZPKUBSNYCPHEG-HNNXBMFYSA-N 0 0 323.795 3.186 20 10 DGCDRN CO[C@@H](C)[C@H](C)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000786676889 624938229 /nfs/dbraw/zinc/93/82/29/624938229.db2.gz KWEMXGZXFKEJHM-GJZGRUSLSA-N 0 0 300.402 3.247 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1scnc1C1CC1 ZINC000787275202 624994588 /nfs/dbraw/zinc/99/45/88/624994588.db2.gz NZYAYYCPQISCRU-UHFFFAOYSA-N 0 0 315.442 3.486 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000787400639 625006309 /nfs/dbraw/zinc/00/63/09/625006309.db2.gz LTARPYVTOHJGDY-BCDXTJNWSA-N 0 0 315.461 3.473 20 10 DGCDRN Oc1ccc(-c2ccccc2)cc1CN1C[C@H](O)CC(F)(F)C1 ZINC000787438853 625011049 /nfs/dbraw/zinc/01/10/49/625011049.db2.gz XDATUTHWBSFJOU-MRXNPFEDSA-N 0 0 319.351 3.261 20 10 DGCDRN COC(=O)[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccsc1 ZINC000788400634 625152452 /nfs/dbraw/zinc/15/24/52/625152452.db2.gz MGKCEINKKODTQA-BLLLJJGKSA-N 0 0 318.442 3.379 20 10 DGCDRN CC(=O)c1cc(F)cc(Cn2cc(C=CC(C)C)nn2)c1O ZINC000880996030 625195501 /nfs/dbraw/zinc/19/55/01/625195501.db2.gz MHYIYGVETAYCRJ-PLNGDYQASA-N 0 0 303.337 3.043 20 10 DGCDRN COc1ccc(O)c(CNCc2ncc(C(F)(F)F)s2)c1 ZINC000788519985 625205951 /nfs/dbraw/zinc/20/59/51/625205951.db2.gz SGVLHUIYGNYOCD-UHFFFAOYSA-N 0 0 318.320 3.166 20 10 DGCDRN CC(C)C[C@H](CO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788564581 625216907 /nfs/dbraw/zinc/21/69/07/625216907.db2.gz WTXAQMPRUJIHBT-GHMZBOCLSA-N 0 0 305.340 3.469 20 10 DGCDRN CC(C)C[C@@H](CO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788564609 625217148 /nfs/dbraw/zinc/21/71/48/625217148.db2.gz WTXAQMPRUJIHBT-QWRGUYRKSA-N 0 0 305.340 3.469 20 10 DGCDRN CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788590845 625222256 /nfs/dbraw/zinc/22/22/56/625222256.db2.gz HBEZBEANPYSSOV-CWSCBRNRSA-N 0 0 305.340 3.469 20 10 DGCDRN C[C@H]([NH2+]CC(C)(C)CCO)c1cccc(C(F)(F)F)c1[O-] ZINC000788608329 625226752 /nfs/dbraw/zinc/22/67/52/625226752.db2.gz FJKRGUNSECQKGB-JTQLQIEISA-N 0 0 305.340 3.470 20 10 DGCDRN CCN1CC(=O)N[C@H]1c1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000788688547 625243681 /nfs/dbraw/zinc/24/36/81/625243681.db2.gz BYVDJGKDLVPQIH-QGZVFWFLSA-N 0 0 318.461 3.438 20 10 DGCDRN Cc1nnc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])s1 ZINC000788736532 625254659 /nfs/dbraw/zinc/25/46/59/625254659.db2.gz VMCSFUDHXKPVOJ-ZETCQYMHSA-N 0 0 317.336 3.422 20 10 DGCDRN C/C=C\C[C@H](CO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788756232 625259391 /nfs/dbraw/zinc/25/93/91/625259391.db2.gz VPDNRTVSSDMBPT-ANDSXOESSA-N 0 0 303.324 3.389 20 10 DGCDRN C[C@H]([NH2+]CCOCC(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000788774364 625263217 /nfs/dbraw/zinc/26/32/17/625263217.db2.gz CRBVDTPATWQJPN-QMMMGPOBSA-N 0 0 313.266 3.343 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCOc1ccc(F)cc1 ZINC000790949153 625720491 /nfs/dbraw/zinc/72/04/91/625720491.db2.gz KEGCZYIVROETKM-UHFFFAOYSA-N 0 0 313.731 3.492 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCOc1cccc(F)c1 ZINC000790952469 625721946 /nfs/dbraw/zinc/72/19/46/625721946.db2.gz HDFMJCDQQBGUJQ-UHFFFAOYSA-N 0 0 313.731 3.492 20 10 DGCDRN COC(=O)C1CCC([NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000790960047 625723482 /nfs/dbraw/zinc/72/34/82/625723482.db2.gz SDXFCUMRZVNKFI-UHFFFAOYSA-N 0 0 315.772 3.006 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H](CO)c1cccc(F)c1 ZINC000790966351 625724226 /nfs/dbraw/zinc/72/42/26/625724226.db2.gz MAYXATSVLADYLR-CYBMUJFWSA-N 0 0 313.731 3.147 20 10 DGCDRN CC(C)CC[C@@](C)(O)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790971107 625725921 /nfs/dbraw/zinc/72/59/21/625725921.db2.gz OTOUMMCNAOSXDX-OAHLLOKOSA-N 0 0 303.805 3.462 20 10 DGCDRN Cc1ccsc1[C@@H](CO)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790972823 625727194 /nfs/dbraw/zinc/72/71/94/625727194.db2.gz HVKHNRGKVQZMEG-LLVKDONJSA-N 0 0 315.797 3.378 20 10 DGCDRN C[C@@H]1C[C@H](CC[NH2+]Cc2c([O-])ccc(Cl)c2F)CCO1 ZINC000790986262 625730970 /nfs/dbraw/zinc/73/09/70/625730970.db2.gz LJEWPRGPIMVQBB-GHMZBOCLSA-N 0 0 301.789 3.480 20 10 DGCDRN Cc1ccc2c(c1)CCN(C(=O)/C=C/c1ccc(O)c(O)c1)C2 ZINC000790989112 625732614 /nfs/dbraw/zinc/73/26/14/625732614.db2.gz XXSTUVPQWKIFAR-QPJJXVBHSA-N 0 0 309.365 3.004 20 10 DGCDRN CC[C@H](C)n1ncc(NCc2cc3c(cc2O)OCO3)c1C ZINC000791003687 625735529 /nfs/dbraw/zinc/73/55/29/625735529.db2.gz GABSPFZZNKUPMM-JTQLQIEISA-N 0 0 303.362 3.209 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1c[nH]c2cccnc12 ZINC000791210162 625762310 /nfs/dbraw/zinc/76/23/10/625762310.db2.gz QXUKVLNJJAGJSZ-UHFFFAOYSA-N 0 0 320.396 3.093 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000882967977 625879338 /nfs/dbraw/zinc/87/93/38/625879338.db2.gz YNKOHFVOFZRPCH-UHFFFAOYSA-N 0 0 321.323 3.122 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)c2ccccc2)cc1 ZINC000792036733 625903050 /nfs/dbraw/zinc/90/30/50/625903050.db2.gz VOBIRTWYDZMCFG-UHFFFAOYSA-N 0 0 324.424 3.374 20 10 DGCDRN COC(=O)CC[N@@H+](Cc1c([O-])ccc(Cl)c1F)CC(C)C ZINC000792167392 625918807 /nfs/dbraw/zinc/91/88/07/625918807.db2.gz SCTQHQATZBDMGA-UHFFFAOYSA-N 0 0 317.788 3.206 20 10 DGCDRN C[C@@H](C[C@@H](O)c1cccs1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883079620 625919088 /nfs/dbraw/zinc/91/90/88/625919088.db2.gz YMXXLJDSTMAOSX-TVQRCGJNSA-N 0 0 313.369 3.334 20 10 DGCDRN CN(Cc1c([O-])ccc(Cl)c1F)CC1([NH+](C)C)CCC1 ZINC000792179096 625920434 /nfs/dbraw/zinc/92/04/34/625920434.db2.gz GWISQQWBHBYFKQ-UHFFFAOYSA-N 0 0 300.805 3.101 20 10 DGCDRN OCCCOc1ccc(NCc2cc(F)cc(F)c2O)cc1 ZINC000883119188 625933227 /nfs/dbraw/zinc/93/32/27/625933227.db2.gz QWFCRVMRLURXHV-UHFFFAOYSA-N 0 0 309.312 3.044 20 10 DGCDRN C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(Cl)cn1 ZINC000792446768 625945060 /nfs/dbraw/zinc/94/50/60/625945060.db2.gz DTWBLZAFPVYPAA-WXGCRTCVSA-N 0 0 318.760 3.037 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000883195762 625966425 /nfs/dbraw/zinc/96/64/25/625966425.db2.gz BURNMSJGFHIPJP-HNNXBMFYSA-N 0 0 311.372 3.499 20 10 DGCDRN c1cc(CNCc2ccc3c(c2)CCN3Cc2ccccc2)n[nH]1 ZINC000796286506 626035084 /nfs/dbraw/zinc/03/50/84/626035084.db2.gz DZAVFCHFWZVGHR-UHFFFAOYSA-N 0 0 318.424 3.262 20 10 DGCDRN CC[C@@H]1CCCC[C@@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000796318287 626037888 /nfs/dbraw/zinc/03/78/88/626037888.db2.gz AHHXCGOWOHJBJS-YPMHNXCESA-N 0 0 306.358 3.040 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CSC[C@H]2C)c1 ZINC000796480964 626054953 /nfs/dbraw/zinc/05/49/53/626054953.db2.gz BOKJBRDRMRXJNF-SKDRFNHKSA-N 0 0 316.264 3.304 20 10 DGCDRN COc1ccc(N(CCC(C)C)C[C@@H](O)COC(C)C)cc1 ZINC000796503077 626056565 /nfs/dbraw/zinc/05/65/65/626056565.db2.gz HADDNBUQZCOISG-QGZVFWFLSA-N 0 0 309.450 3.334 20 10 DGCDRN CCOc1ccc(CNc2ccc(OCCCO)cc2)c(O)c1 ZINC000796520676 626058492 /nfs/dbraw/zinc/05/84/92/626058492.db2.gz CBJVAWBAHXFZGK-UHFFFAOYSA-N 0 0 317.385 3.164 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000797578801 626154523 /nfs/dbraw/zinc/15/45/23/626154523.db2.gz JVODZGFVAXTFGD-ZWKOTPCHSA-N 0 0 315.461 3.471 20 10 DGCDRN COc1ccc(CNC(=O)Nc2c(F)cccc2F)c(O)c1 ZINC000797607358 626159337 /nfs/dbraw/zinc/15/93/37/626159337.db2.gz SJVOVYYCGDTSDF-UHFFFAOYSA-N 0 0 308.284 3.001 20 10 DGCDRN COc1ccc(O)c(CN2CCC(C)=C(Br)C2)c1 ZINC000797605890 626159653 /nfs/dbraw/zinc/15/96/53/626159653.db2.gz XMPOAMRDQAZRJT-UHFFFAOYSA-N 0 0 312.207 3.275 20 10 DGCDRN COc1ccc(CNC(=O)Nc2cc(C)ccc2OC)c(O)c1 ZINC000797607451 626159747 /nfs/dbraw/zinc/15/97/47/626159747.db2.gz ZOMHQTOWUBIVNG-UHFFFAOYSA-N 0 0 316.357 3.040 20 10 DGCDRN COc1cccc(CNC(=O)[C@@H]2[C@H](C)[C@H]2c2ccccc2)c1O ZINC000797744980 626167223 /nfs/dbraw/zinc/16/72/23/626167223.db2.gz UCKHBWKEUNATNY-OAUYIBNBSA-N 0 0 311.381 3.067 20 10 DGCDRN Cc1ccc(O)c(CNc2ccc(C(N)=O)c(OC(C)C)c2)c1 ZINC000798086102 626193406 /nfs/dbraw/zinc/19/34/06/626193406.db2.gz JOKZCBFHFKMSJD-UHFFFAOYSA-N 0 0 314.385 3.199 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N(C)CCCSC)cc1 ZINC000798375867 626212871 /nfs/dbraw/zinc/21/28/71/626212871.db2.gz NCQPQQHSCHHQPK-UHFFFAOYSA-N 0 0 323.506 3.427 20 10 DGCDRN CCC(C)(C)N(C)C(=O)NCCCSc1nccs1 ZINC000798437919 626218147 /nfs/dbraw/zinc/21/81/47/626218147.db2.gz PYLXDFGOKSIVTL-UHFFFAOYSA-N 0 0 301.481 3.455 20 10 DGCDRN CC[C@H]1CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCCO1 ZINC000798459965 626218994 /nfs/dbraw/zinc/21/89/94/626218994.db2.gz PMRPCMJTLUDCOQ-YOEHRIQHSA-N 0 0 319.449 3.024 20 10 DGCDRN OCc1ccc(Br)cc1NCc1ccccc1O ZINC000798500252 626221765 /nfs/dbraw/zinc/22/17/65/626221765.db2.gz RNKZMSPEXGJCRE-UHFFFAOYSA-N 0 0 308.175 3.259 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000798503693 626222153 /nfs/dbraw/zinc/22/21/53/626222153.db2.gz LMOMZLIRVOOKEV-LBPRGKRZSA-N 0 0 315.816 3.463 20 10 DGCDRN C[C@H]1CCC[C@@H]1CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000798512238 626222972 /nfs/dbraw/zinc/22/29/72/626222972.db2.gz GCEPPNLVRWKPRR-GOEBONIOSA-N 0 0 303.450 3.330 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](CO)CC1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000798937661 626261447 /nfs/dbraw/zinc/26/14/47/626261447.db2.gz NQOKREGYVSCXTF-OCCSQVGLSA-N 0 0 322.405 3.140 20 10 DGCDRN CC(C)n1cnc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000798994281 626265319 /nfs/dbraw/zinc/26/53/19/626265319.db2.gz DMCUEQMNSNAMQA-CYBMUJFWSA-N 0 0 300.406 3.021 20 10 DGCDRN CCc1nn(C)cc1/C=C1/c2cc(Cl)ccc2N(C)C1=O ZINC000799501551 626306427 /nfs/dbraw/zinc/30/64/27/626306427.db2.gz HHDYPHURXOBXOI-QPEQYQDCSA-N 0 0 301.777 3.153 20 10 DGCDRN CCNC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000799859736 626331261 /nfs/dbraw/zinc/33/12/61/626331261.db2.gz WSKYOKPQHDPWKO-LBPRGKRZSA-N 0 0 309.841 3.395 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CC2CCC(F)(F)CC2)c1 ZINC000800293406 626348917 /nfs/dbraw/zinc/34/89/17/626348917.db2.gz DGCHXHOMPUDAOC-UHFFFAOYSA-N 0 0 300.305 3.216 20 10 DGCDRN COc1cc(O)c(CN2CCCC[C@H]2C(F)F)cc1OC ZINC000800533038 626366353 /nfs/dbraw/zinc/36/63/53/626366353.db2.gz DZTYEGIVPKMGAA-NSHDSACASA-N 0 0 301.333 3.029 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CC=CCC1 ZINC000839914136 626369753 /nfs/dbraw/zinc/36/97/53/626369753.db2.gz QUTISUHVBWZUNB-JKSUJKDBSA-N 0 0 300.446 3.465 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCc1ccco1 ZINC000839916287 626370541 /nfs/dbraw/zinc/37/05/41/626370541.db2.gz RECLMCZHVOKZMY-OAHLLOKOSA-N 0 0 314.429 3.334 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C[C@H]1C=CCC1 ZINC000839915823 626370567 /nfs/dbraw/zinc/37/05/67/626370567.db2.gz LFORZSYGGGOHEZ-HOTGVXAUSA-N 0 0 300.446 3.465 20 10 DGCDRN C/C(=C\C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)C1CC1 ZINC000839917828 626371010 /nfs/dbraw/zinc/37/10/10/626371010.db2.gz ICGHWDMQKCCGML-ATGUSINASA-N 0 0 300.446 3.465 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1CC(F)(F)C1 ZINC000839918912 626372595 /nfs/dbraw/zinc/37/25/95/626372595.db2.gz DOEKUXYJOHPRNE-LBPRGKRZSA-N 0 0 310.388 3.154 20 10 DGCDRN CCN(CC)c1ccc(CN(C)c2nnc(C(C)C)n2C)cc1 ZINC000800743791 626373422 /nfs/dbraw/zinc/37/34/22/626373422.db2.gz QYPIHUTYOYMIIJ-UHFFFAOYSA-N 0 0 315.465 3.421 20 10 DGCDRN CS[C@H](C)CC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839920974 626373538 /nfs/dbraw/zinc/37/35/38/626373538.db2.gz WCFKFILDXAFIIN-UONOGXRCSA-N 0 0 308.491 3.250 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H](C)C(C)(F)F ZINC000839920668 626373630 /nfs/dbraw/zinc/37/36/30/626373630.db2.gz COTBCDQIYVUGMH-QWHCGFSZSA-N 0 0 312.404 3.400 20 10 DGCDRN Cc1ccc(N2C(=O)/C(=C\c3cn(C)cn3)SC2=S)cc1 ZINC000800791725 626374385 /nfs/dbraw/zinc/37/43/85/626374385.db2.gz FDLYMFKCIVXZBU-NTUHNPAUSA-N 0 0 315.423 3.134 20 10 DGCDRN COc1ccc(O)c([C@H](C)Nc2nc([C@@H](C)OC)ns2)c1 ZINC000800848775 626379133 /nfs/dbraw/zinc/37/91/33/626379133.db2.gz CHOSZWZBBXMQTI-DTWKUNHWSA-N 0 0 309.391 3.133 20 10 DGCDRN C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccsc1 ZINC000800907643 626384361 /nfs/dbraw/zinc/38/43/61/626384361.db2.gz LPSTZYNLELLIDP-LBPRGKRZSA-N 0 0 303.431 3.375 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cn(C)nc1CC ZINC000801548191 626409189 /nfs/dbraw/zinc/40/91/89/626409189.db2.gz PKSKWCYDFRQDFV-UHFFFAOYSA-N 0 0 315.417 3.131 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@@H](CC)O1 ZINC000801545649 626409213 /nfs/dbraw/zinc/40/92/13/626409213.db2.gz DBIVCIDIUAFUPQ-WBVHZDCISA-N 0 0 305.418 3.479 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCOC[C@H]1C ZINC000801549470 626409235 /nfs/dbraw/zinc/40/92/35/626409235.db2.gz PGPFJLRRRWFLFZ-GDBMZVCRSA-N 0 0 305.418 3.194 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](C)OCC1CC1 ZINC000801549747 626409552 /nfs/dbraw/zinc/40/95/52/626409552.db2.gz YPRRTRHOLDCINK-AWEZNQCLSA-N 0 0 305.418 3.336 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1CSC1(C)C)c1ccc(N(C)C)cc1 ZINC000801764197 626417223 /nfs/dbraw/zinc/41/72/23/626417223.db2.gz SSFPCTDSQZRZTF-FZMZJTMJSA-N 0 0 307.463 3.007 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCC[C@H]1CCOC1 ZINC000802287313 626557807 /nfs/dbraw/zinc/55/78/07/626557807.db2.gz DAJNUQDMNVOKSU-HNNXBMFYSA-N 0 0 320.433 3.131 20 10 DGCDRN C[C@@H]1C[C@@H](CCNC(=O)N(C)Cc2ccccc2O)C[C@H](C)O1 ZINC000802508859 626562672 /nfs/dbraw/zinc/56/26/72/626562672.db2.gz LPRHBXPIRVAIFR-QDMKHBRRSA-N 0 0 320.433 3.127 20 10 DGCDRN COc1ccc2c(c1)OCCN(Cc1cccc(Cl)c1[O-])C2 ZINC000802658974 626565704 /nfs/dbraw/zinc/56/57/04/626565704.db2.gz BLHHSDSYEWNEME-UHFFFAOYSA-N 0 0 319.788 3.449 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCCOC(C)(C)C)c1 ZINC000802782594 626571475 /nfs/dbraw/zinc/57/14/75/626571475.db2.gz YPHRJXCZHHMCAI-GFCCVEGCSA-N 0 0 309.406 3.173 20 10 DGCDRN CCC(=O)N(C)c1ccc(NCc2c(O)cccc2OC)cc1 ZINC000883310182 626641882 /nfs/dbraw/zinc/64/18/82/626641882.db2.gz DGMUCVBOHRSDHJ-UHFFFAOYSA-N 0 0 314.385 3.386 20 10 DGCDRN CSc1cnc(NCc2ccc(N3CCCC3)cc2)nc1 ZINC000804349520 626672192 /nfs/dbraw/zinc/67/21/92/626672192.db2.gz JBFMZBSKFQGEDQ-UHFFFAOYSA-N 0 0 300.431 3.411 20 10 DGCDRN COc1cc(Br)cc([C@@H](C)N[C@@H](C)C(F)F)c1O ZINC000883400014 626673180 /nfs/dbraw/zinc/67/31/80/626673180.db2.gz BKZMZZXMOBHRCB-RQJHMYQMSA-N 0 0 324.165 3.468 20 10 DGCDRN c1nc2ccc(NCc3ccc(N4CCCCC4)cc3)cn2n1 ZINC000883410212 626676928 /nfs/dbraw/zinc/67/69/28/626676928.db2.gz RFCXHIRSHZWBLM-UHFFFAOYSA-N 0 0 307.401 3.332 20 10 DGCDRN COc1ccc(O)c([C@@H](C)Nc2nc(C(F)(F)F)ns2)c1 ZINC000804430609 626679040 /nfs/dbraw/zinc/67/90/40/626679040.db2.gz BQLGRWJFBFEFKK-ZCFIWIBFSA-N 0 0 319.308 3.444 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1nc(C(F)(F)F)ns1 ZINC000804605741 626697085 /nfs/dbraw/zinc/69/70/85/626697085.db2.gz WAMVZIBQXCVFDD-ZCFIWIBFSA-N 0 0 319.308 3.011 20 10 DGCDRN CC[C@@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1cccc(Cl)c1[O-] ZINC000806130348 626700587 /nfs/dbraw/zinc/70/05/87/626700587.db2.gz WDEVCWNFCRQYPH-CABCVRRESA-N 0 0 318.804 3.313 20 10 DGCDRN CC[C@H]([NH2+]CC[C@H](O)COC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806149756 626702331 /nfs/dbraw/zinc/70/23/31/626702331.db2.gz HHJGOHGNMCLDGM-GWCFXTLKSA-N 0 0 322.232 3.137 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)C(F)(F)F)cc1 ZINC000806464368 626717015 /nfs/dbraw/zinc/71/70/15/626717015.db2.gz GOSGWFDOKWBLEP-NSHDSACASA-N 0 0 317.355 3.283 20 10 DGCDRN O=c1cc(C=Cc2ccc(N3CCOCC3)cc2)nc(C2CC2)[nH]1 ZINC000806563860 626721599 /nfs/dbraw/zinc/72/15/99/626721599.db2.gz BLAKWVQROICZKR-BHQIHCQQSA-N 0 0 323.396 3.067 20 10 DGCDRN Cn1ncc(NC(=O)NCc2ccccc2O)c1-c1ccccc1 ZINC000806776402 626733400 /nfs/dbraw/zinc/73/34/00/626733400.db2.gz ITEZTYZPTCBEJS-UHFFFAOYSA-N 0 0 322.368 3.114 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CCCSC1 ZINC000806821420 626735499 /nfs/dbraw/zinc/73/54/99/626735499.db2.gz MFIAJJSWEPJOGD-AWEZNQCLSA-N 0 0 321.490 3.003 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H](C)c2ccncc2)c1 ZINC000132757955 626738959 /nfs/dbraw/zinc/73/89/59/626738959.db2.gz WPYBWKCATNBLKQ-CHWSQXEVSA-N 0 0 314.385 3.167 20 10 DGCDRN C[C@@H](NC(=O)C1=CC(=O)CS1)c1nccn1-c1ccccc1 ZINC000807811096 626770576 /nfs/dbraw/zinc/77/05/76/626770576.db2.gz WQAJYMUIEUYPGO-LLVKDONJSA-N 0 0 313.382 3.130 20 10 DGCDRN Cc1nc(C2CCC2)sc1CC(=O)Nc1ccc(N)cc1 ZINC000884008740 626788357 /nfs/dbraw/zinc/78/83/57/626788357.db2.gz AIPFZEPHSYBNPG-UHFFFAOYSA-N 0 0 301.415 3.482 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccn1C(C)C ZINC000808094545 626791863 /nfs/dbraw/zinc/79/18/63/626791863.db2.gz UDASLWLGTMQMNW-UHFFFAOYSA-N 0 0 307.390 3.190 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(F)c(C)c1 ZINC000808095638 626792647 /nfs/dbraw/zinc/79/26/47/626792647.db2.gz MMDNMLNGGVCQMW-UHFFFAOYSA-N 0 0 308.349 3.255 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(CC)cc1 ZINC000808094818 626792703 /nfs/dbraw/zinc/79/27/03/626792703.db2.gz FPFNQYXRHALNLX-UHFFFAOYSA-N 0 0 304.386 3.370 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@]1(C)CCCS1 ZINC000133597857 626819054 /nfs/dbraw/zinc/81/90/54/626819054.db2.gz ZUIXPLIDCSEERR-KRWDZBQOSA-N 0 0 321.490 3.146 20 10 DGCDRN CC(=O)C(=O)COC(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000808517083 626835053 /nfs/dbraw/zinc/83/50/53/626835053.db2.gz RFLRGGUSTJEPIY-UHFFFAOYSA-N 0 0 316.740 3.322 20 10 DGCDRN CC(=O)C(=O)COC(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC000808521246 626835872 /nfs/dbraw/zinc/83/58/72/626835872.db2.gz LFNYRRLQLOWRAJ-SFHVURJKSA-N 0 0 324.376 3.104 20 10 DGCDRN O=C(NCc1ccccc1O)c1csc(Br)c1 ZINC000133758806 626836369 /nfs/dbraw/zinc/83/63/69/626836369.db2.gz YJCOKBGVODWVBN-UHFFFAOYSA-N 0 0 312.188 3.146 20 10 DGCDRN O=C(NCc1ccccc1O)c1cc(F)cc(Br)c1 ZINC000133755343 626836475 /nfs/dbraw/zinc/83/64/75/626836475.db2.gz KEPSJRRWTUVJAC-UHFFFAOYSA-N 0 0 324.149 3.224 20 10 DGCDRN O=C(NCc1ccccc1O)c1ccc(Br)cc1F ZINC000133767883 626838153 /nfs/dbraw/zinc/83/81/53/626838153.db2.gz ZEPCMWBPYBQTOR-UHFFFAOYSA-N 0 0 324.149 3.224 20 10 DGCDRN C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1O ZINC000133792958 626839010 /nfs/dbraw/zinc/83/90/10/626839010.db2.gz QZVKHVPRVMCJDO-LLVKDONJSA-N 0 0 305.761 3.129 20 10 DGCDRN CCC(C)(C)C1CCC2(C[C@@H]2C(=O)OCC(=O)C(C)=O)CC1 ZINC000808549596 626839581 /nfs/dbraw/zinc/83/95/81/626839581.db2.gz IZNCSTSSNRYFCZ-TXKKKEFDSA-N 0 0 308.418 3.320 20 10 DGCDRN Cc1ccccc1[C@@H]1C[C@H]1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000134068102 626853163 /nfs/dbraw/zinc/85/31/63/626853163.db2.gz YAIIMNLAWJNHEK-RBUKOAKNSA-N 0 0 323.440 3.416 20 10 DGCDRN Cc1cc(Cl)cc([C@H](C)N[C@@H](C)c2nnnn2C2CC2)c1O ZINC000808716438 626853335 /nfs/dbraw/zinc/85/33/35/626853335.db2.gz NOLYMJIMNILMQT-UWVGGRQHSA-N 0 0 321.812 3.087 20 10 DGCDRN Cc1cnn(C)c1CN(Cc1ccco1)Cc1ccccc1O ZINC000809538420 626917348 /nfs/dbraw/zinc/91/73/48/626917348.db2.gz FMRVFSRZTXAOIX-UHFFFAOYSA-N 0 0 311.385 3.230 20 10 DGCDRN COc1ccc2c(c1)CCN2Cc1cn(-c2ccccc2C)nn1 ZINC000809538363 626917413 /nfs/dbraw/zinc/91/74/13/626917413.db2.gz DULHOKBOUBYGRG-UHFFFAOYSA-N 0 0 320.396 3.147 20 10 DGCDRN COc1ccc(N(Cc2ccco2)Cc2cnns2)cc1F ZINC000809575436 626921670 /nfs/dbraw/zinc/92/16/70/626921670.db2.gz CWWQTUPGSFQXNJ-UHFFFAOYSA-N 0 0 319.361 3.486 20 10 DGCDRN CC[C@@H]1CN(Cc2cc(Cl)cc(C)c2O)C[C@@H](C)[S@@]1=O ZINC000809700122 626938457 /nfs/dbraw/zinc/93/84/57/626938457.db2.gz XVLDTHDGWDOUHA-GIQGCJHYSA-N 0 0 315.866 3.085 20 10 DGCDRN COC(=O)c1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000809732427 626943239 /nfs/dbraw/zinc/94/32/39/626943239.db2.gz DFBMVSFXDSDZSR-UHFFFAOYSA-N 0 0 305.761 3.122 20 10 DGCDRN COCC[N@H+](Cc1cccnc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000809741656 626945117 /nfs/dbraw/zinc/94/51/17/626945117.db2.gz RLHDKYNLTFYMEE-UHFFFAOYSA-N 0 0 324.783 3.228 20 10 DGCDRN O=C1OCc2c1cccc2NCc1c(O)ccc(Cl)c1F ZINC000809791056 626954314 /nfs/dbraw/zinc/95/43/14/626954314.db2.gz HDQQZPKDQJXMCJ-UHFFFAOYSA-N 0 0 307.708 3.467 20 10 DGCDRN CN(C)c1ccc(OCc2nc(-c3ccsc3)no2)cc1 ZINC000810002433 626967799 /nfs/dbraw/zinc/96/77/99/626967799.db2.gz XFEPQVCSTPADJL-UHFFFAOYSA-N 0 0 301.371 3.443 20 10 DGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCSC1 ZINC000810247929 626992724 /nfs/dbraw/zinc/99/27/24/626992724.db2.gz WPJSULJGRXEQOC-MRXNPFEDSA-N 0 0 318.486 3.436 20 10 DGCDRN COCc1nc(CN[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)cs1 ZINC000810253655 626993406 /nfs/dbraw/zinc/99/34/06/626993406.db2.gz ZONXRIMDJFNDKR-BXKDBHETSA-N 0 0 322.405 3.472 20 10 DGCDRN CC[C@H](C[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-])OC ZINC000810260050 626994517 /nfs/dbraw/zinc/99/45/17/626994517.db2.gz CKHMHTCIEKPIBF-WCBMZHEXSA-N 0 0 320.202 3.369 20 10 DGCDRN CC(C)c1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)nc1 ZINC000810266312 626995281 /nfs/dbraw/zinc/99/52/81/626995281.db2.gz ZZBNJBAFQXBVJQ-UHFFFAOYSA-N 0 0 315.392 3.340 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCSC2)cc1F ZINC000810370668 627003691 /nfs/dbraw/zinc/00/36/91/627003691.db2.gz KEUFCXLUBZWLGZ-CQSZACIVSA-N 0 0 324.465 3.431 20 10 DGCDRN Cc1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2)c(Cl)c1 ZINC000136488556 627092563 /nfs/dbraw/zinc/09/25/63/627092563.db2.gz ZXMWKGXCHMBSFK-UHFFFAOYSA-N 0 0 311.790 3.463 20 10 DGCDRN C[C@@H](O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000136827315 627103865 /nfs/dbraw/zinc/10/38/65/627103865.db2.gz XHGLWRRKEDDJNA-ZJUUUORDSA-N 0 0 304.217 3.292 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1c([O-])cccc1F ZINC000886489281 627152103 /nfs/dbraw/zinc/15/21/03/627152103.db2.gz DWWIQFZRTPZJRM-LLVKDONJSA-N 0 0 303.333 3.153 20 10 DGCDRN CCNC(=O)c1ccc(C[NH2+][C@H](C)c2c([O-])cccc2F)cc1 ZINC000886504146 627153932 /nfs/dbraw/zinc/15/39/32/627153932.db2.gz SSHOLHXAGRJENJ-GFCCVEGCSA-N 0 0 316.376 3.132 20 10 DGCDRN C[C@H]([NH2+]CCCN(C)CC(F)(F)F)c1c([O-])cccc1F ZINC000886504239 627154163 /nfs/dbraw/zinc/15/41/63/627154163.db2.gz XSNJIUZIQLUOKT-JTQLQIEISA-N 0 0 308.319 3.066 20 10 DGCDRN C[C@@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)c1c([O-])cccc1F ZINC000886509029 627154477 /nfs/dbraw/zinc/15/44/77/627154477.db2.gz XWCOPKKRIAKOCZ-IUODEOHRSA-N 0 0 305.397 3.493 20 10 DGCDRN COCCOc1ccccc1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886508687 627154702 /nfs/dbraw/zinc/15/47/02/627154702.db2.gz KWDGXNDQSIGYDR-CYBMUJFWSA-N 0 0 319.376 3.407 20 10 DGCDRN C[C@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1c([O-])cccc1F ZINC000886521148 627156136 /nfs/dbraw/zinc/15/61/36/627156136.db2.gz VTUAAJVBBIKOSP-NSHDSACASA-N 0 0 312.385 3.049 20 10 DGCDRN C[C@H]([NH2+]CCCCNc1ccccn1)c1c([O-])cccc1F ZINC000886522818 627156893 /nfs/dbraw/zinc/15/68/93/627156893.db2.gz RDEJFYUYAQJJAR-ZDUSSCGKSA-N 0 0 303.381 3.469 20 10 DGCDRN C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1c([O-])cccc1F ZINC000886532234 627158415 /nfs/dbraw/zinc/15/84/15/627158415.db2.gz GHLNWSCPQOMCET-LLVKDONJSA-N 0 0 304.321 3.333 20 10 DGCDRN CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2c([O-])cccc2F)C1 ZINC000886536704 627158634 /nfs/dbraw/zinc/15/86/34/627158634.db2.gz NNEQOQHOPMIXCE-AZZPWZESSA-N 0 0 313.438 3.262 20 10 DGCDRN C[C@H](c1ccccc1)[C@@H](CO)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886547543 627161002 /nfs/dbraw/zinc/16/10/02/627161002.db2.gz NBKJJMXDPSHKNI-DVOMOZLQSA-N 0 0 303.377 3.347 20 10 DGCDRN C[C@@H]([NH2+]CCOc1ncccc1Cl)c1c([O-])cccc1F ZINC000886552347 627162072 /nfs/dbraw/zinc/16/20/72/627162072.db2.gz ZPVOEIRWHVEUQW-SNVBAGLBSA-N 0 0 310.756 3.309 20 10 DGCDRN C[C@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1c([O-])cccc1F ZINC000886555235 627162420 /nfs/dbraw/zinc/16/24/20/627162420.db2.gz NYEDAIMXKTXIBH-KPZWWZAWSA-N 0 0 301.361 3.016 20 10 DGCDRN C[C@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1c([O-])cccc1F ZINC000886556936 627163142 /nfs/dbraw/zinc/16/31/42/627163142.db2.gz NOHHCYSUANTGTP-APPDUMDISA-N 0 0 307.340 3.229 20 10 DGCDRN Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)c2c([O-])cccc2F)c1 ZINC000886596533 627169774 /nfs/dbraw/zinc/16/97/74/627169774.db2.gz HOCDMLQXECUSJM-DZGCQCFKSA-N 0 0 303.377 3.094 20 10 DGCDRN CNC(=O)C[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1ccccc1 ZINC000886605045 627171579 /nfs/dbraw/zinc/17/15/79/627171579.db2.gz IMSYXFMRRGDFEJ-WFASDCNBSA-N 0 0 316.376 3.059 20 10 DGCDRN C[C@@H]([NH2+][C@H](CCO)c1ccccc1F)c1c([O-])cccc1F ZINC000886630308 627176723 /nfs/dbraw/zinc/17/67/23/627176723.db2.gz ZNLQOIUMQPZPQV-IAQYHMDHSA-N 0 0 307.340 3.445 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCc2ccccc2NC1=O)c1c([O-])cccc1F ZINC000886632852 627177177 /nfs/dbraw/zinc/17/71/77/627177177.db2.gz HRXXXQSEOOIPJQ-NHYWBVRUSA-N 0 0 314.360 3.135 20 10 DGCDRN C[C@H]([NH2+]C[C@]1(CO)CCc2ccccc21)c1c([O-])cccc1F ZINC000886631882 627177368 /nfs/dbraw/zinc/17/73/68/627177368.db2.gz YMZDCVOOQRDKSC-DJJJIMSYSA-N 0 0 315.388 3.058 20 10 DGCDRN CNC(=O)CC1(C[NH2+][C@H](C)c2c([O-])cccc2F)CCCCC1 ZINC000886640162 627178604 /nfs/dbraw/zinc/17/86/04/627178604.db2.gz SWRLDYWQJQPJQQ-CYBMUJFWSA-N 0 0 322.424 3.269 20 10 DGCDRN C[C@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1c([O-])cccc1F ZINC000886649465 627180534 /nfs/dbraw/zinc/18/05/34/627180534.db2.gz BFVRFUQWVJRQCU-VIFPVBQESA-N 0 0 317.286 3.097 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H]1CC[C@@]2(CO[C@@H](C)C2)O1)c1ccc(F)cc1[O-] ZINC000886767050 627202631 /nfs/dbraw/zinc/20/26/31/627202631.db2.gz YMIKYUOEKFHRAK-WIRVQXDCSA-N 0 0 323.408 3.299 20 10 DGCDRN CCN1C(=O)/C(=C\c2cc(C)cc(OC)c2OC)SC1=S ZINC000887273999 627239938 /nfs/dbraw/zinc/23/99/38/627239938.db2.gz HKFQDBZMIKOTPO-XYOKQWHBSA-N 0 0 323.439 3.233 20 10 DGCDRN Cc1cc(O)c(CN2CCCN2C(=O)OC(C)(C)C)cc1C ZINC000811503139 627282643 /nfs/dbraw/zinc/28/26/43/627282643.db2.gz XALCUKCVOITQST-UHFFFAOYSA-N 0 0 306.406 3.367 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCC1(F)F ZINC000811513119 627285616 /nfs/dbraw/zinc/28/56/16/627285616.db2.gz WKLAIXWKIRGWCO-MRVPVSSYSA-N 0 0 320.723 3.431 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cccnc2C(F)F)cc1 ZINC000887767361 627321298 /nfs/dbraw/zinc/32/12/98/627321298.db2.gz JDIBMTGDVCSYDF-UHFFFAOYSA-N 0 0 305.328 3.015 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCC(C)(C3CC3)CC2)cc1 ZINC000811808507 627323638 /nfs/dbraw/zinc/32/36/38/627323638.db2.gz LUEJMZAIHICPDS-UHFFFAOYSA-N 0 0 315.461 3.474 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C)[C@H](C)OC)cc1 ZINC000811958020 627340901 /nfs/dbraw/zinc/34/09/01/627340901.db2.gz PXWTWZZZBWUVBY-CABCVRRESA-N 0 0 321.465 3.098 20 10 DGCDRN O=[N+]([O-])c1cnc(NCc2ccc(N3CCCC3)cc2)c(F)c1 ZINC000840244221 627342679 /nfs/dbraw/zinc/34/26/79/627342679.db2.gz RMXMTTUJAHORGR-UHFFFAOYSA-N 0 0 316.336 3.341 20 10 DGCDRN CCOC(=O)/C(=C\c1ccc(N(C)C)cc1)c1ccnc(F)c1 ZINC000812246567 627364453 /nfs/dbraw/zinc/36/44/53/627364453.db2.gz OKFFIZPCGRXHKL-WJDWOHSUSA-N 0 0 314.360 3.390 20 10 DGCDRN NC(=O)c1ccc(NCc2c(O)ccc(Cl)c2F)cc1F ZINC000812346416 627372909 /nfs/dbraw/zinc/37/29/09/627372909.db2.gz QWDYTTZMBDURGE-UHFFFAOYSA-N 0 0 312.703 3.035 20 10 DGCDRN CO[C@H](C)[C@@H](C)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000812347446 627373328 /nfs/dbraw/zinc/37/33/28/627373328.db2.gz KWEMXGZXFKEJHM-HUUCEWRRSA-N 0 0 300.402 3.247 20 10 DGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCCC1CC1 ZINC000812453115 627388147 /nfs/dbraw/zinc/38/81/47/627388147.db2.gz HAWKKBSFHTUHDG-UHFFFAOYSA-N 0 0 316.445 3.062 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](C)[C@@H](C)COC)cc1F ZINC000812505514 627393314 /nfs/dbraw/zinc/39/33/14/627393314.db2.gz OVQTUZNTGRMACA-KBPBESRZSA-N 0 0 324.440 3.207 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H](C)[C@@H](C)COC)cc1F ZINC000812505516 627393346 /nfs/dbraw/zinc/39/33/46/627393346.db2.gz OVQTUZNTGRMACA-UONOGXRCSA-N 0 0 324.440 3.207 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1cc(F)cc(F)c1[O-] ZINC000812736465 627414173 /nfs/dbraw/zinc/41/41/73/627414173.db2.gz BRKIJDLAQQPABO-SNVBAGLBSA-N 0 0 317.339 3.408 20 10 DGCDRN CC[N@H+](Cc1cc(C)cc(Br)c1[O-])[C@H]1CCOC1 ZINC000812780719 627419822 /nfs/dbraw/zinc/41/98/22/627419822.db2.gz PCHDBWJLTCPLRG-LBPRGKRZSA-N 0 0 314.223 3.074 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)NOC3CCC3)ccc21 ZINC000812790631 627420928 /nfs/dbraw/zinc/42/09/28/627420928.db2.gz BIUCLZHEXXBAGI-UHFFFAOYSA-N 0 0 316.401 3.118 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)NCCCCF)cc2)CC1 ZINC000812885468 627432995 /nfs/dbraw/zinc/43/29/95/627432995.db2.gz QMPMRDLRPRYJMG-UHFFFAOYSA-N 0 0 321.440 3.472 20 10 DGCDRN C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)c1ccc(N(C)C)cc1 ZINC000840287962 627480455 /nfs/dbraw/zinc/48/04/55/627480455.db2.gz BTKNCBWUHIKFQW-SNVBAGLBSA-N 0 0 304.325 3.368 20 10 DGCDRN CC(C)(C)C[C@H](O)CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000813490564 627493836 /nfs/dbraw/zinc/49/38/36/627493836.db2.gz LDQBOKRXIVDRCT-CQSZACIVSA-N 0 0 319.445 3.074 20 10 DGCDRN CC(C)[C@H]1N(C(=O)NCc2ccc(N(C)C)cc2)CC12CCC2 ZINC000813560625 627497689 /nfs/dbraw/zinc/49/76/89/627497689.db2.gz IGQIUSBBEPNLNN-QGZVFWFLSA-N 0 0 315.461 3.473 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CCC(C3CC3)CC2)cc1OC ZINC000813618267 627503778 /nfs/dbraw/zinc/50/37/78/627503778.db2.gz MZHKGTZURJFVBS-UHFFFAOYSA-N 0 0 306.362 3.238 20 10 DGCDRN CCOc1ccc(CNc2cccc(OC(=O)NC)c2)c(O)c1 ZINC000813791992 627512280 /nfs/dbraw/zinc/51/22/80/627512280.db2.gz NFAJQMSOOJKKPE-UHFFFAOYSA-N 0 0 316.357 3.121 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC(C)(C)COC(C)C ZINC000840302919 627519415 /nfs/dbraw/zinc/51/94/15/627519415.db2.gz VVSYXVIRFALZRI-UHFFFAOYSA-N 0 0 321.465 3.064 20 10 DGCDRN NC(=O)Nc1cc(NCc2cc(Cl)ccc2O)ccc1F ZINC000814301359 627557710 /nfs/dbraw/zinc/55/77/10/627557710.db2.gz XICULQDZEYSLGI-UHFFFAOYSA-N 0 0 309.728 3.287 20 10 DGCDRN CO[C@@H]1CCC[C@@H](C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000814415581 627563832 /nfs/dbraw/zinc/56/38/32/627563832.db2.gz WNGBWSOTMJJXRC-FRFSOERESA-N 0 0 304.434 3.135 20 10 DGCDRN O=C(COC(=O)/C(F)=C\C1CCCCC1)c1ccc(O)c(O)c1 ZINC000814540582 627575469 /nfs/dbraw/zinc/57/54/69/627575469.db2.gz ZBJGKLABUMWRPM-MDWZMJQESA-N 0 0 322.332 3.257 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC[C@@H](OC)C1 ZINC000814640630 627580923 /nfs/dbraw/zinc/58/09/23/627580923.db2.gz MRSODCQPKXBDNC-SJLPKXTDSA-N 0 0 318.461 3.306 20 10 DGCDRN Cc1cc(CN2C[C@@H](C)O[C@H](C(F)(F)F)C2)ccc1N(C)C ZINC000815055753 627619762 /nfs/dbraw/zinc/61/97/62/627619762.db2.gz MIEVLLJEYZSRRZ-DOMZBBRYSA-N 0 0 316.367 3.213 20 10 DGCDRN CCN(C)c1ccc(CN2C[C@@H](C(F)(F)F)OC[C@@H]2C)cc1 ZINC000815116188 627629293 /nfs/dbraw/zinc/62/92/93/627629293.db2.gz DDQWDQBAIANEMN-WFASDCNBSA-N 0 0 316.367 3.294 20 10 DGCDRN CCN(C)c1ccc(CN2C[C@@H](C(F)(F)F)OC[C@H]2C)cc1 ZINC000815116185 627629346 /nfs/dbraw/zinc/62/93/46/627629346.db2.gz DDQWDQBAIANEMN-DOMZBBRYSA-N 0 0 316.367 3.294 20 10 DGCDRN COCc1ccc(COC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000815222086 627646942 /nfs/dbraw/zinc/64/69/42/627646942.db2.gz LWAUOORGHAVMAW-VQHVLOKHSA-N 0 0 314.337 3.001 20 10 DGCDRN C[C@@H]([NH2+]CCOCC1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815577998 627686162 /nfs/dbraw/zinc/68/61/62/627686162.db2.gz FGWQZQSHWJIYPH-SNVBAGLBSA-N 0 0 303.324 3.488 20 10 DGCDRN CSC[C@@H](CCO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815582816 627687555 /nfs/dbraw/zinc/68/75/55/627687555.db2.gz PRTPLFXOPVXKEZ-VHSXEESVSA-N 0 0 323.380 3.176 20 10 DGCDRN Cc1cncc(CCC(=O)NCCCSc2nccs2)c1 ZINC000815590693 627688920 /nfs/dbraw/zinc/68/89/20/627688920.db2.gz FXCYBZLXBLCTPD-UHFFFAOYSA-N 0 0 321.471 3.078 20 10 DGCDRN CC(C)n1cc([C@@H](C)NCc2ccc3c(c2)CCCN3C)nn1 ZINC000924870230 627689398 /nfs/dbraw/zinc/68/93/98/627689398.db2.gz KFQAYYUZBLECRV-CQSZACIVSA-N 0 0 313.449 3.092 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN[C@H](C)c1cn(C(C)C)nn1 ZINC000925080674 627706703 /nfs/dbraw/zinc/70/67/03/627706703.db2.gz NZKCECMXZOFSFN-CQSZACIVSA-N 0 0 301.438 3.084 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC3CCC2CC3)c1 ZINC000815835209 627707141 /nfs/dbraw/zinc/70/71/41/627707141.db2.gz NBTWCMVEAVYRIT-PIISCBOPSA-N 0 0 303.402 3.404 20 10 DGCDRN Oc1c(CNc2cccc(-n3cnnn3)c2)ccc2ccccc21 ZINC000816479478 627795482 /nfs/dbraw/zinc/79/54/82/627795482.db2.gz MQHXQCHHQXWBNQ-UHFFFAOYSA-N 0 0 317.352 3.133 20 10 DGCDRN COCC[N@H+](Cc1ccco1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816490008 627795966 /nfs/dbraw/zinc/79/59/66/627795966.db2.gz JLHFAYQZWKHWOZ-UHFFFAOYSA-N 0 0 313.756 3.426 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000816492783 627796121 /nfs/dbraw/zinc/79/61/21/627796121.db2.gz CIASSGUAZLRDGS-JTQLQIEISA-N 0 0 309.772 3.287 20 10 DGCDRN CCN1CCC([N@H+](C)Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816484093 627796365 /nfs/dbraw/zinc/79/63/65/627796365.db2.gz PKHYXMLAEAXYOZ-UHFFFAOYSA-N 0 0 300.805 3.101 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Nc1cnn(C2CCCC2)c1 ZINC000925832797 627802569 /nfs/dbraw/zinc/80/25/69/627802569.db2.gz UBBHOOAIHXIXSU-UHFFFAOYSA-N 0 0 314.389 3.368 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H](CCO)c1cccs1 ZINC000816552497 627805656 /nfs/dbraw/zinc/80/56/56/627805656.db2.gz NZTXHBPZQBNBJU-GFCCVEGCSA-N 0 0 315.797 3.460 20 10 DGCDRN CC(C)C[C@@H](CCO)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816554419 627806524 /nfs/dbraw/zinc/80/65/24/627806524.db2.gz YCTWIAKAEXIDLZ-LLVKDONJSA-N 0 0 303.805 3.319 20 10 DGCDRN COC(=O)COc1ccc(N(C)Cc2ccsc2C)cc1 ZINC000816568085 627809540 /nfs/dbraw/zinc/80/95/40/627809540.db2.gz WBGBNGBIEWSFCY-UHFFFAOYSA-N 0 0 305.399 3.245 20 10 DGCDRN COC[C@@H]1CCCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816571072 627809948 /nfs/dbraw/zinc/80/99/48/627809948.db2.gz RHUWHJJJOSAXBK-LLVKDONJSA-N 0 0 301.789 3.433 20 10 DGCDRN Oc1c(CN2C[C@@H](O)Cc3ccccc32)ccc2ccccc21 ZINC000816593880 627812190 /nfs/dbraw/zinc/81/21/90/627812190.db2.gz HNYNAUCXEWMGAK-KRWDZBQOSA-N 0 0 305.377 3.469 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000816593957 627812301 /nfs/dbraw/zinc/81/23/01/627812301.db2.gz KXOKEKBDYMCBLG-UHFFFAOYSA-N 0 0 313.800 3.217 20 10 DGCDRN CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816598763 627813456 /nfs/dbraw/zinc/81/34/56/627813456.db2.gz PDENWAMMVGSUAN-KOLCDFICSA-N 0 0 315.772 3.006 20 10 DGCDRN CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816610373 627814713 /nfs/dbraw/zinc/81/47/13/627814713.db2.gz IMOVWLNFWMDZOU-LLVKDONJSA-N 0 0 300.805 3.005 20 10 DGCDRN CN(C)c1ccc(CN2C[C@]3(CCCO3)[C@H]2C2CC2)cc1F ZINC000816665980 627822427 /nfs/dbraw/zinc/82/24/27/627822427.db2.gz BHWGZONPNIWUKC-QZTJIDSGSA-N 0 0 304.409 3.035 20 10 DGCDRN CNc1ccc(Cl)c(C(=O)N(C)Cc2ccccc2O)c1 ZINC000816888873 627837254 /nfs/dbraw/zinc/83/72/54/627837254.db2.gz BAZIXRFVQSVGGX-UHFFFAOYSA-N 0 0 304.777 3.360 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCc2cccnc21 ZINC000816914062 627839465 /nfs/dbraw/zinc/83/94/65/627839465.db2.gz CCVGDLGDEZCCDC-INIZCTEOSA-N 0 0 310.397 3.256 20 10 DGCDRN Cc1nn(C)c2nccc(NCCCSc3nccs3)c12 ZINC000817119129 627857138 /nfs/dbraw/zinc/85/71/38/627857138.db2.gz XEJFNEZYEKNCID-UHFFFAOYSA-N 0 0 319.459 3.328 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OS(=O)(=O)CCCCF)cc12 ZINC000817152330 627859469 /nfs/dbraw/zinc/85/94/69/627859469.db2.gz ZDOBZKWZDQCWOB-UHFFFAOYSA-N 0 0 313.394 3.253 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](c1ccccc1)C(F)F ZINC000817224688 627866868 /nfs/dbraw/zinc/86/68/68/627866868.db2.gz WBOKAFWFMBTLNR-DYLHUKMJSA-N 0 0 319.307 3.234 20 10 DGCDRN O=C(COc1ccc(N2CCCCC2)c(Cl)c1)NCC1CC1 ZINC000817381073 627890965 /nfs/dbraw/zinc/89/09/65/627890965.db2.gz CKKQUUBUQGXNQC-UHFFFAOYSA-N 0 0 322.836 3.235 20 10 DGCDRN O=C(COc1ccc(N2CCCCC2)c(Cl)c1)N1CCCC1 ZINC000817382140 627891988 /nfs/dbraw/zinc/89/19/88/627891988.db2.gz QJTAFBULRDRRLZ-UHFFFAOYSA-N 0 0 322.836 3.332 20 10 DGCDRN Cc1cc(C[NH2+]Cc2cccc(Br)c2[O-])cc(C)n1 ZINC000817409722 627894371 /nfs/dbraw/zinc/89/43/71/627894371.db2.gz FGIGOBGNPIFFFE-UHFFFAOYSA-N 0 0 321.218 3.456 20 10 DGCDRN CC[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1 ZINC000817414489 627896761 /nfs/dbraw/zinc/89/67/61/627896761.db2.gz GEVCVRFAKYFNOR-VXGBXAGGSA-N 0 0 314.769 3.001 20 10 DGCDRN COc1ccc(CNC(C)(C)c2cn(C(C)C)nn2)cc1C ZINC000817420489 627898154 /nfs/dbraw/zinc/89/81/54/627898154.db2.gz UBTRSRMTJCHVOY-UHFFFAOYSA-N 0 0 302.422 3.201 20 10 DGCDRN Cc1c(F)cccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000817515231 627915178 /nfs/dbraw/zinc/91/51/78/627915178.db2.gz ITCWETUEFBDGOR-UHFFFAOYSA-N 0 0 300.377 3.472 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C)C1(OC)CCOCC1)c1ccc(F)cc1[O-] ZINC000817588847 627927389 /nfs/dbraw/zinc/92/73/89/627927389.db2.gz RSNGNSFJZZAJNV-WFASDCNBSA-N 0 0 311.397 3.156 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](C)C1(OC)CCOCC1)c1ccc(F)cc1[O-] ZINC000817588846 627927656 /nfs/dbraw/zinc/92/76/56/627927656.db2.gz RSNGNSFJZZAJNV-SWLSCSKDSA-N 0 0 311.397 3.156 20 10 DGCDRN CC1(C)CCc2sc(NC(=O)c3cccc(O)c3O)nc21 ZINC000817628918 627931039 /nfs/dbraw/zinc/93/10/39/627931039.db2.gz DIXPTKNJNOFTEE-UHFFFAOYSA-N 0 0 304.371 3.030 20 10 DGCDRN Cc1ccc(C(=O)N2CCC[C@@H](CC(F)(F)F)C2)c(O)c1O ZINC000817634105 627932329 /nfs/dbraw/zinc/93/23/29/627932329.db2.gz XGBOZZKLIRVJTN-JTQLQIEISA-N 0 0 317.307 3.211 20 10 DGCDRN Cc1cc(CN[C@H](C)c2cnn(C)n2)c(C)n1-c1cccc(C)c1 ZINC000926765649 627949683 /nfs/dbraw/zinc/94/96/83/627949683.db2.gz XZZMTQPKIJTVQO-OAHLLOKOSA-N 0 0 323.444 3.382 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1F ZINC000817881548 627952737 /nfs/dbraw/zinc/95/27/37/627952737.db2.gz KQZGRSQFTRLTCL-ZFWWWQNUSA-N 0 0 322.424 3.215 20 10 DGCDRN C[C@H]1CCCCN1C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817903543 627957270 /nfs/dbraw/zinc/95/72/70/627957270.db2.gz FFVDKRXUQUPBQZ-LBPRGKRZSA-N 0 0 315.442 3.331 20 10 DGCDRN CC[C@H]1CCCN1C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817923751 627963071 /nfs/dbraw/zinc/96/30/71/627963071.db2.gz MVGXCIKIEIAMOX-AWEZNQCLSA-N 0 0 315.442 3.331 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CCCCN1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817949372 627971855 /nfs/dbraw/zinc/97/18/55/627971855.db2.gz JWVDKHVQLMCGHJ-VHSXEESVSA-N 0 0 303.233 3.492 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CNCC[C@@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817968764 627978531 /nfs/dbraw/zinc/97/85/31/627978531.db2.gz MBVRPDBONKOVEK-HOTUBEGUSA-N 0 0 303.233 3.348 20 10 DGCDRN CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1ccc(F)cc1[O-] ZINC000927015944 627998052 /nfs/dbraw/zinc/99/80/52/627998052.db2.gz RTKVIWWDSMNCFA-ZBFHGGJFSA-N 0 0 323.408 3.300 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1ccc(F)cc1[O-] ZINC000927015941 627998357 /nfs/dbraw/zinc/99/83/57/627998357.db2.gz RTKVIWWDSMNCFA-GOEBONIOSA-N 0 0 323.408 3.300 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCCc2cccnc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927063232 628005609 /nfs/dbraw/zinc/00/56/09/628005609.db2.gz ABXLOVQLQHPAQQ-NHYWBVRUSA-N 0 0 313.357 3.424 20 10 DGCDRN Cc1ccc(NCC[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])nc1 ZINC000927073702 628007927 /nfs/dbraw/zinc/00/79/27/628007927.db2.gz OFZSYIDOXBUQQJ-NSHDSACASA-N 0 0 307.344 3.137 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCC2(CCC2)O1 ZINC000927156085 628028049 /nfs/dbraw/zinc/02/80/49/628028049.db2.gz MVROWOUYWQLFIS-HNNXBMFYSA-N 0 0 318.417 3.025 20 10 DGCDRN CC(C)COc1cccc(OCC(=O)Nc2ccc(N)cc2)c1 ZINC000818556257 628035580 /nfs/dbraw/zinc/03/55/80/628035580.db2.gz FLASVSINABSSRC-UHFFFAOYSA-N 0 0 314.385 3.321 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])cc1 ZINC000818631643 628045308 /nfs/dbraw/zinc/04/53/08/628045308.db2.gz MBZGLEMQJZAWCP-PBHICJAKSA-N 0 0 304.434 3.218 20 10 DGCDRN CCC(CC)(C[NH2+]C/C=C/c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000818629990 628045507 /nfs/dbraw/zinc/04/55/07/628045507.db2.gz OZAYJEGIKREKPL-BQYQJAHWSA-N 0 0 304.434 3.246 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@]23C[C@H]2CCCC3)cc1 ZINC000927432005 628066128 /nfs/dbraw/zinc/06/61/28/628066128.db2.gz VDFBSNGCPPJEDW-WBMJQRKESA-N 0 0 300.362 3.159 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CC[C@H]1C ZINC000840372441 628083081 /nfs/dbraw/zinc/08/30/81/628083081.db2.gz DOHWWRUTSODRJI-HACGYAERSA-N 0 0 303.450 3.090 20 10 DGCDRN C[C@H](CCC(C)(C)C)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819167396 628104399 /nfs/dbraw/zinc/10/43/99/628104399.db2.gz CGGULWLQUDXCPR-CYBMUJFWSA-N 0 0 318.417 3.371 20 10 DGCDRN O[C@H](CNc1ccccc1OCC(F)F)Cc1ccccc1 ZINC000819460148 628158367 /nfs/dbraw/zinc/15/83/67/628158367.db2.gz FQINYDVOWGTGSV-AWEZNQCLSA-N 0 0 307.340 3.346 20 10 DGCDRN O[C@H](CNc1ccccc1OCCF)COc1ccccc1F ZINC000819487005 628162354 /nfs/dbraw/zinc/16/23/54/628162354.db2.gz CHAWKRXOPUHVDU-CYBMUJFWSA-N 0 0 323.339 3.026 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)C=C3CCCC3)C2)cc1 ZINC000819582969 628171420 /nfs/dbraw/zinc/17/14/20/628171420.db2.gz NVQYRCKOECXCLL-MRXNPFEDSA-N 0 0 314.429 3.138 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CC[C@@H](C)C3)C2)cc1 ZINC000819585849 628171481 /nfs/dbraw/zinc/17/14/81/628171481.db2.gz IPMFNZRLGCMWQN-BZUAXINKSA-N 0 0 316.445 3.074 20 10 DGCDRN CCC[C@@H](C)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819583701 628171501 /nfs/dbraw/zinc/17/15/01/628171501.db2.gz ZCINYRDAAXMHTA-CABCVRRESA-N 0 0 304.434 3.074 20 10 DGCDRN CC[C@H](C)CCC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819588964 628172174 /nfs/dbraw/zinc/17/21/74/628172174.db2.gz BCORUKUJEUXEAT-HOTGVXAUSA-N 0 0 318.461 3.464 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000928710248 628179924 /nfs/dbraw/zinc/17/99/24/628179924.db2.gz RGKMHVPTSSFTFE-KBPBESRZSA-N 0 0 317.335 3.480 20 10 DGCDRN O=C(CC[C@@H]1CC1(Cl)Cl)NCc1c(O)cccc1F ZINC000928709759 628180026 /nfs/dbraw/zinc/18/00/26/628180026.db2.gz FRDQBDSTNOPFHR-MRVPVSSYSA-N 0 0 306.164 3.122 20 10 DGCDRN Cc1nc(CC2CC2)sc1C(=O)NCc1c(O)cccc1F ZINC000928707611 628180227 /nfs/dbraw/zinc/18/02/27/628180227.db2.gz GFEBJIGRIFLILI-UHFFFAOYSA-N 0 0 320.389 3.179 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC[C@H]1C1CC1 ZINC000840394017 628180409 /nfs/dbraw/zinc/18/04/09/628180409.db2.gz LTWWQMYSOVDJBC-HOCLYGCPSA-N 0 0 302.418 3.360 20 10 DGCDRN CC[C@@](O)(CC(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000840394528 628183332 /nfs/dbraw/zinc/18/33/32/628183332.db2.gz HCKBVXGMSIUDRV-LJQANCHMSA-N 0 0 313.397 3.039 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNc3ccc(F)cn3)C2)cc1 ZINC000819934882 628201505 /nfs/dbraw/zinc/20/15/05/628201505.db2.gz NCSUKWOKPJIMAG-ZDUSSCGKSA-N 0 0 301.365 3.168 20 10 DGCDRN Cc1nccnc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000819979394 628208319 /nfs/dbraw/zinc/20/83/19/628208319.db2.gz VTTTYXDIVSQNMQ-UHFFFAOYSA-N 0 0 324.428 3.048 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nc1c(C)[nH][nH]c1=O ZINC000820401775 628253087 /nfs/dbraw/zinc/25/30/87/628253087.db2.gz DUPOUFFGPDPQFJ-UHFFFAOYSA-N 0 0 324.384 3.392 20 10 DGCDRN CC(C)(C)NC(=O)c1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000820539827 628269946 /nfs/dbraw/zinc/26/99/46/628269946.db2.gz IPFIYJSBXVZZEU-UHFFFAOYSA-N 0 0 318.398 3.234 20 10 DGCDRN CC1(C(=O)NCc2c(O)ccc3c2CCCC3)CC(F)(F)C1 ZINC000821070969 628334233 /nfs/dbraw/zinc/33/42/33/628334233.db2.gz RICXIIVEFSCJFY-UHFFFAOYSA-N 0 0 309.356 3.323 20 10 DGCDRN CCCCCCO[C@@H](C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000840415752 628343231 /nfs/dbraw/zinc/34/32/31/628343231.db2.gz HVJXUUWVQUVINZ-KGLIPLIRSA-N 0 0 323.433 3.130 20 10 DGCDRN OCC[C@H](NCc1ccc(N2CCCCC2)cc1)C(F)(F)F ZINC000821207684 628346147 /nfs/dbraw/zinc/34/61/47/628346147.db2.gz XMGXSYASWDKJKW-HNNXBMFYSA-N 0 0 316.367 3.080 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Nc1nc(C(F)(F)F)co1 ZINC000821450883 628370950 /nfs/dbraw/zinc/37/09/50/628370950.db2.gz DREPGSQORAWAQK-UHFFFAOYSA-N 0 0 315.251 3.063 20 10 DGCDRN CO[C@H](C)CNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000821718268 628392040 /nfs/dbraw/zinc/39/20/40/628392040.db2.gz LEIAKHDCQMTLDF-CQSZACIVSA-N 0 0 320.433 3.271 20 10 DGCDRN C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H]2CCCC[C@@H]12 ZINC000821824445 628400514 /nfs/dbraw/zinc/40/05/14/628400514.db2.gz UFWYLFYIVPEOJY-UGFHNGPFSA-N 0 0 314.389 3.500 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1COC2(CCC2)C1 ZINC000821901891 628409468 /nfs/dbraw/zinc/40/94/68/628409468.db2.gz KPGHYJWAHMHFBY-HNNXBMFYSA-N 0 0 318.417 3.025 20 10 DGCDRN COc1ccc(N2CCN(C(=O)[C@@]3(C)CC=CCC3)CC2)cc1 ZINC000822197232 628429237 /nfs/dbraw/zinc/42/92/37/628429237.db2.gz QXCXTLKFQSPUHF-IBGZPJMESA-N 0 0 314.429 3.090 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cccc(C(F)(F)F)n2)cc1 ZINC000822226847 628431437 /nfs/dbraw/zinc/43/14/37/628431437.db2.gz KFDFBSPGUIDJQV-UHFFFAOYSA-N 0 0 323.318 3.096 20 10 DGCDRN CC(C)[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(F)(F)F ZINC000822339714 628442232 /nfs/dbraw/zinc/44/22/32/628442232.db2.gz KDXXTFLCNRYEPK-JTQLQIEISA-N 0 0 316.283 3.166 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C[C@H](C)[C@@H]2CCCO2)cc1 ZINC000822608835 628470483 /nfs/dbraw/zinc/47/04/83/628470483.db2.gz YNVCLGTVEADRSP-YJBOKZPZSA-N 0 0 318.461 3.354 20 10 DGCDRN CC(C)c1ncsc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000822863177 628503926 /nfs/dbraw/zinc/50/39/26/628503926.db2.gz MSHDVASXWHCHCU-UHFFFAOYSA-N 0 0 321.421 3.402 20 10 DGCDRN CSC[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000823122559 628528599 /nfs/dbraw/zinc/52/85/99/628528599.db2.gz UUECLHQNNIAWJH-NSHDSACASA-N 0 0 320.418 3.064 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[C@@H]1C(C)C ZINC000840478694 628551734 /nfs/dbraw/zinc/55/17/34/628551734.db2.gz BJAGFOKZJSWPIK-CRAIPNDOSA-N 0 0 317.477 3.432 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC23CCC(CC2)CC3)cc1 ZINC000823378318 628554598 /nfs/dbraw/zinc/55/45/98/628554598.db2.gz UQECGYFWIIVZFE-UHFFFAOYSA-N 0 0 300.362 3.302 20 10 DGCDRN CCn1cc(N(CC(C)C)C(=O)/C=C/c2cccnc2C)cn1 ZINC000823426147 628560207 /nfs/dbraw/zinc/56/02/07/628560207.db2.gz OAJVZZSRTPMBLW-CMDGGOBGSA-N 0 0 312.417 3.309 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC1(C)C ZINC000840480698 628576233 /nfs/dbraw/zinc/57/62/33/628576233.db2.gz YAMKRSZCICHACC-AWEZNQCLSA-N 0 0 303.450 3.186 20 10 DGCDRN CCC[C@@H](CC)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000823776140 628595631 /nfs/dbraw/zinc/59/56/31/628595631.db2.gz KVAHRPLWHOUILC-HZPDHXFCSA-N 0 0 318.461 3.464 20 10 DGCDRN CCN(CC)c1ccc(CNCc2ccncc2F)cc1F ZINC000823842943 628601735 /nfs/dbraw/zinc/60/17/35/628601735.db2.gz UNFUSBWDKUCHFL-UHFFFAOYSA-N 0 0 305.372 3.496 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@@]12CCO[C@@H]1CCCC2 ZINC000823986397 628616018 /nfs/dbraw/zinc/61/60/18/628616018.db2.gz LOSXPIIEGQSYJJ-ZBFHGGJFSA-N 0 0 309.793 3.011 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CC(C)(C)C1 ZINC000824021703 628619374 /nfs/dbraw/zinc/61/93/74/628619374.db2.gz BYMPDWRQOLOXRM-UHFFFAOYSA-N 0 0 303.450 3.473 20 10 DGCDRN CC(C)CCc1nnc(NC(=O)NCc2ccccc2O)s1 ZINC000824222561 628639348 /nfs/dbraw/zinc/63/93/48/628639348.db2.gz JDGCZNVKIVPDGO-UHFFFAOYSA-N 0 0 320.418 3.154 20 10 DGCDRN CN(c1ccc(CNC(=O)c2ncc[nH]2)cc1)C1CCCCC1 ZINC000824251522 628643816 /nfs/dbraw/zinc/64/38/16/628643816.db2.gz QZECUJOXRCBGJN-UHFFFAOYSA-N 0 0 312.417 3.109 20 10 DGCDRN CCOC1(C(=O)NCc2ccc(N3CCCCC3)cc2)CCC1 ZINC000824261445 628644882 /nfs/dbraw/zinc/64/48/82/628644882.db2.gz DAYDTJMVLRNHRU-UHFFFAOYSA-N 0 0 316.445 3.252 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)CC(C)=C(C)C)C2)cc1 ZINC000824374228 628656301 /nfs/dbraw/zinc/65/63/01/628656301.db2.gz URWRZGBAVWWSOD-HNNXBMFYSA-N 0 0 302.418 3.137 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1c(C)cnn1C ZINC000824409667 628658435 /nfs/dbraw/zinc/65/84/35/628658435.db2.gz IAONXBLMALHQEX-UHFFFAOYSA-N 0 0 316.405 3.268 20 10 DGCDRN C[C@H]1CN(Cc2c([O-])ccc(Cl)c2F)CC[N@@H+](C2CC2)C1 ZINC000824445587 628661207 /nfs/dbraw/zinc/66/12/07/628661207.db2.gz GEJLRVHRGJDNCW-NSHDSACASA-N 0 0 312.816 3.101 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+]Cc2ccnc(C)c2)c1 ZINC000824596796 628675419 /nfs/dbraw/zinc/67/54/19/628675419.db2.gz LLPHQMPMGPQMNN-UHFFFAOYSA-N 0 0 321.218 3.456 20 10 DGCDRN Cc1csc([C@@H](C)C(=O)NCc2ccc(N(C)C)c(F)c2)n1 ZINC000824669845 628682538 /nfs/dbraw/zinc/68/25/38/628682538.db2.gz RCAQAOGQLRYILF-NSHDSACASA-N 0 0 321.421 3.077 20 10 DGCDRN CS[C@H]1CC[N@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000824683588 628683313 /nfs/dbraw/zinc/68/33/13/628683313.db2.gz RCWIXHLKKDIDSD-NSHDSACASA-N 0 0 316.264 3.400 20 10 DGCDRN CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000824717452 628687117 /nfs/dbraw/zinc/68/71/17/628687117.db2.gz VPZKGBIIPQIMTQ-FTNCPSPGSA-N 0 0 300.362 3.252 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000824716378 628687190 /nfs/dbraw/zinc/68/71/90/628687190.db2.gz SZMAHFNHAMQRBC-YUELXQCFSA-N 0 0 313.800 3.310 20 10 DGCDRN COc1c([O-])c(C[NH2+]CC2CCCCCC2)ccc1[N+](=O)[O-] ZINC000824790658 628694183 /nfs/dbraw/zinc/69/41/83/628694183.db2.gz ZUEKVTIVWDYJHP-UHFFFAOYSA-N 0 0 308.378 3.369 20 10 DGCDRN C[C@H](NC(=O)Nc1cc(F)ccn1)c1ccc(N(C)C)cc1 ZINC000824849248 628699891 /nfs/dbraw/zinc/69/98/91/628699891.db2.gz DRGGUFMRIFRHBW-NSHDSACASA-N 0 0 302.353 3.169 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000824858187 628701192 /nfs/dbraw/zinc/70/11/92/628701192.db2.gz ACYMMLUIKNJYNF-MUJYYYPQSA-N 0 0 301.434 3.083 20 10 DGCDRN CC1(C)C[C@H](O)CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000825090881 628726429 /nfs/dbraw/zinc/72/64/29/628726429.db2.gz MATJQWRKARLOBI-GFCCVEGCSA-N 0 0 301.789 3.168 20 10 DGCDRN CCn1cc([C@H](C)[NH2+]Cc2cccc(Br)c2[O-])cn1 ZINC000825129715 628730983 /nfs/dbraw/zinc/73/09/83/628730983.db2.gz BKTTZBCXQMUJEZ-JTQLQIEISA-N 0 0 324.222 3.222 20 10 DGCDRN CC(C(=O)NCc1ccc(N2CCSCC2)cc1)=C1CCC1 ZINC000825305878 628747770 /nfs/dbraw/zinc/74/77/70/628747770.db2.gz VFOHJRLRNJYSJQ-UHFFFAOYSA-N 0 0 316.470 3.356 20 10 DGCDRN CCS(=O)(=O)Cc1ccc(NCc2cc(C)ccc2O)cc1 ZINC000825316048 628748724 /nfs/dbraw/zinc/74/87/24/628748724.db2.gz JLELLZOQUMJDIW-UHFFFAOYSA-N 0 0 319.426 3.247 20 10 DGCDRN COC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000825321905 628749044 /nfs/dbraw/zinc/74/90/44/628749044.db2.gz QNHZZSKUDBFFRP-NSHDSACASA-N 0 0 301.789 3.433 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H](CCCO)C1 ZINC000825338397 628751622 /nfs/dbraw/zinc/75/16/22/628751622.db2.gz QCPSJLVGZGAQIX-SNVBAGLBSA-N 0 0 304.217 3.293 20 10 DGCDRN Cc1ncc(C(F)(F)F)cc1C(=O)N1Cc2cccc(O)c2C1 ZINC000825355836 628753091 /nfs/dbraw/zinc/75/30/91/628753091.db2.gz ARLIYZWTFUCELZ-UHFFFAOYSA-N 0 0 322.286 3.270 20 10 DGCDRN COc1ccc(C)c2c1N(C(=O)/C=C(\C)c1cnccn1)CCC2 ZINC000825666290 628783094 /nfs/dbraw/zinc/78/30/94/628783094.db2.gz ZXZCCBVDDVNLJN-SDNWHVSQSA-N 0 0 323.396 3.176 20 10 DGCDRN C[C@H]1COC(C)(C)CN1Cc1ccc(Br)cc1O ZINC000825692032 628786466 /nfs/dbraw/zinc/78/64/66/628786466.db2.gz FOKUNBFXUBHHQV-JTQLQIEISA-N 0 0 314.223 3.154 20 10 DGCDRN CCN(CCSC)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000825721557 628790746 /nfs/dbraw/zinc/79/07/46/628790746.db2.gz PLCWUYKBELQTDF-UHFFFAOYSA-N 0 0 321.490 3.181 20 10 DGCDRN C/C(=C/C[N@H+](Cc1ccco1)Cc1ccccc1O)C(=O)[O-] ZINC000825730389 628791565 /nfs/dbraw/zinc/79/15/65/628791565.db2.gz WAZNZLLMKSOEDA-JYRVWZFOSA-N 0 0 301.342 3.018 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc3c([nH]2)CCCC3)c1 ZINC000825736775 628792898 /nfs/dbraw/zinc/79/28/98/628792898.db2.gz JKDMZAZYOVGCDA-NSHDSACASA-N 0 0 314.385 3.099 20 10 DGCDRN Cc1c(NCc2cccc(Cl)c2O)cccc1-c1nn[nH]n1 ZINC000826242520 628835623 /nfs/dbraw/zinc/83/56/23/628835623.db2.gz SHDDKXIAMHJXBG-UHFFFAOYSA-N 0 0 315.764 3.146 20 10 DGCDRN COc1cc(CN(C)Cc2c[nH]cn2)c(O)c(C(C)(C)C)c1 ZINC000826768821 628884316 /nfs/dbraw/zinc/88/43/16/628884316.db2.gz FTRQFAZCMKIZLZ-UHFFFAOYSA-N 0 0 303.406 3.053 20 10 DGCDRN COc1cc(O)c(CNc2cncc3c2CCCC3)cc1OC ZINC000826815872 628890744 /nfs/dbraw/zinc/89/07/44/628890744.db2.gz QMQKSKQEPAYYGA-UHFFFAOYSA-N 0 0 314.385 3.295 20 10 DGCDRN CC(C)CC(CC(C)C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000827085404 628920296 /nfs/dbraw/zinc/92/02/96/628920296.db2.gz SPAWXGRPTPICDE-UHFFFAOYSA-N 0 0 307.434 3.465 20 10 DGCDRN Cn1ncc(C2CC2)c1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000827251301 628941725 /nfs/dbraw/zinc/94/17/25/628941725.db2.gz GBPMRZVDUHFGOO-UHFFFAOYSA-N 0 0 309.772 3.085 20 10 DGCDRN CC(C)c1nnc(CN(C)Cc2ccc(N(C)C)cc2)s1 ZINC000827367922 628953390 /nfs/dbraw/zinc/95/33/90/628953390.db2.gz FZWWSBORUPLUII-UHFFFAOYSA-N 0 0 304.463 3.360 20 10 DGCDRN O=C(NCCCSc1nccs1)C1CC2(CC2(F)F)C1 ZINC000827475313 628962364 /nfs/dbraw/zinc/96/23/64/628962364.db2.gz WWMIGXBEEGMATQ-UHFFFAOYSA-N 0 0 318.414 3.177 20 10 DGCDRN Nc1ccc(C(=O)Nc2cccc(N3CCCCC3)c2)c(O)c1 ZINC000827593559 628975012 /nfs/dbraw/zinc/97/50/12/628975012.db2.gz DNAROGDUZKBPRT-UHFFFAOYSA-N 0 0 311.385 3.217 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000827631753 628978645 /nfs/dbraw/zinc/97/86/45/628978645.db2.gz QDELGGGYLBAYHP-RBSFLKMASA-N 0 0 314.429 3.259 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@]1(C)CO ZINC000827699460 628983868 /nfs/dbraw/zinc/98/38/68/628983868.db2.gz HQHNBKZJAYBOKB-YMTOWFKASA-N 0 0 304.217 3.149 20 10 DGCDRN Cc1cccc(CN2C[C@H](C)O[C@@H](CC(F)(F)F)C2)c1O ZINC000827786747 628991005 /nfs/dbraw/zinc/99/10/05/628991005.db2.gz LKMPLEFQFWTQSZ-AAEUAGOBSA-N 0 0 303.324 3.242 20 10 DGCDRN CCN(Cc1cc(OC)c(OC)cc1O)c1cccc(O)c1 ZINC000827909731 629002641 /nfs/dbraw/zinc/00/26/41/629002641.db2.gz XGKQDIHIYUOSNA-UHFFFAOYSA-N 0 0 303.358 3.142 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1O ZINC000827916413 629003079 /nfs/dbraw/zinc/00/30/79/629003079.db2.gz HLLSPLROIAHLCK-CYBMUJFWSA-N 0 0 324.380 3.010 20 10 DGCDRN CO[C@@H](C)c1nc(C)c(C(=O)N[C@H](C)c2ccccc2O)s1 ZINC000827936833 629005207 /nfs/dbraw/zinc/00/52/07/629005207.db2.gz DFNYRFOIMHYFCW-KOLCDFICSA-N 0 0 320.414 3.356 20 10 DGCDRN C[C@@H](NC(=O)[C@@H]1C[C@@]12CCc1ccccc12)c1ccccc1O ZINC000827936926 629005369 /nfs/dbraw/zinc/00/53/69/629005369.db2.gz GVJBVTJWEPYDJL-ASUYLVSUSA-N 0 0 307.393 3.474 20 10 DGCDRN C[C@@H](NC(=O)[C@](C)(O)[C@H](C)c1ccccc1)c1ccccc1O ZINC000827937221 629005390 /nfs/dbraw/zinc/00/53/90/629005390.db2.gz OYRSUZGSENLSFC-PJIJBLCYSA-N 0 0 313.397 3.124 20 10 DGCDRN COc1ccc(C[C@H](C)C(=O)N[C@H](C)c2ccccc2O)cc1 ZINC000827940325 629005898 /nfs/dbraw/zinc/00/58/98/629005898.db2.gz ARALKXCGQCIIOQ-UONOGXRCSA-N 0 0 313.397 3.457 20 10 DGCDRN C[C@@H](NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccccc1O ZINC000827941762 629005986 /nfs/dbraw/zinc/00/59/86/629005986.db2.gz XQIAUSLUJNAIOU-LLVKDONJSA-N 0 0 324.380 3.113 20 10 DGCDRN C[C@@H](NC(=O)[C@@H]1CCCN1c1ccccc1)c1ccccc1O ZINC000827946453 629006588 /nfs/dbraw/zinc/00/65/88/629006588.db2.gz IKGMAFDYQRZBKU-PBHICJAKSA-N 0 0 310.397 3.238 20 10 DGCDRN Cc1noc(C)c1C(C)(C)C(=O)N[C@H](C)c1ccccc1O ZINC000827946575 629006752 /nfs/dbraw/zinc/00/67/52/629006752.db2.gz MRJZSFZFEUZZLH-SNVBAGLBSA-N 0 0 302.374 3.152 20 10 DGCDRN C[C@@H](NC(=O)COC[C@@H](C)c1ccccc1)c1ccccc1O ZINC000827952378 629006880 /nfs/dbraw/zinc/00/68/80/629006880.db2.gz QDUZRLLILNXAFK-HUUCEWRRSA-N 0 0 313.397 3.390 20 10 DGCDRN Cc1cccc(CO[C@H](C)C(=O)N[C@H](C)c2ccccc2O)c1 ZINC000827955758 629007694 /nfs/dbraw/zinc/00/76/94/629007694.db2.gz DRDDISKNWIRBGU-HUUCEWRRSA-N 0 0 313.397 3.483 20 10 DGCDRN C[C@H](NC(=O)C1(c2cccnc2)CCCC1)c1ccccc1O ZINC000827964271 629008784 /nfs/dbraw/zinc/00/87/84/629008784.db2.gz KAHVNRBFCAPEFZ-AWEZNQCLSA-N 0 0 310.397 3.476 20 10 DGCDRN Cc1ccc2c(c1)CC[C@H](C(=O)N[C@@H](C)c1ccccc1O)O2 ZINC000827964825 629009162 /nfs/dbraw/zinc/00/91/62/629009162.db2.gz XCQHXTTYABDPKD-SCLBCKFNSA-N 0 0 311.381 3.272 20 10 DGCDRN C[C@H](NC(=O)[C@@H]1CCC(=O)[C@@H](C)C1(C)C)c1ccccc1O ZINC000827968980 629009204 /nfs/dbraw/zinc/00/92/04/629009204.db2.gz DPGVMFGVVPHELE-DYEKYZERSA-N 0 0 303.402 3.211 20 10 DGCDRN CO[C@@](C)(C(=O)N[C@@H](C)c1ccccc1O)c1ccccc1F ZINC000827968880 629009474 /nfs/dbraw/zinc/00/94/74/629009474.db2.gz BTUKOLSBFNRNEJ-KPZWWZAWSA-N 0 0 317.360 3.270 20 10 DGCDRN CCCCn1ncc(C(=O)N[C@@H](C)c2ccccc2O)c1CC ZINC000827969199 629009511 /nfs/dbraw/zinc/00/95/11/629009511.db2.gz JSJPBYRPBZUNJY-ZDUSSCGKSA-N 0 0 315.417 3.442 20 10 DGCDRN Cc1cc2c(cc1C)[C@H](C(=O)N[C@@H](C)c1ccccc1O)CO2 ZINC000827969041 629009515 /nfs/dbraw/zinc/00/95/15/629009515.db2.gz GKCIWVMJMMZTRF-XJKSGUPXSA-N 0 0 311.381 3.362 20 10 DGCDRN C[C@H](c1ccccc1)[C@](C)(O)C(=O)N[C@@H](C)c1ccccc1O ZINC000827973422 629010284 /nfs/dbraw/zinc/01/02/84/629010284.db2.gz OYRSUZGSENLSFC-TYILLQQXSA-N 0 0 313.397 3.124 20 10 DGCDRN C[C@H](NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccccc1O ZINC000827973752 629010407 /nfs/dbraw/zinc/01/04/07/629010407.db2.gz XQIAUSLUJNAIOU-NSHDSACASA-N 0 0 324.380 3.113 20 10 DGCDRN Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3ccccc3O)cc12 ZINC000827981656 629011168 /nfs/dbraw/zinc/01/11/68/629011168.db2.gz CGLOXTSWWBRRQI-VIFPVBQESA-N 0 0 315.398 3.140 20 10 DGCDRN COc1ccc2c(c1)CCCCN2C(=O)/C=C(\C)c1cnccn1 ZINC000828118150 629024828 /nfs/dbraw/zinc/02/48/28/629024828.db2.gz ZIYKTXXFAITREK-SDNWHVSQSA-N 0 0 323.396 3.258 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NCC2CCC(F)CC2)cc1 ZINC000828374935 629048841 /nfs/dbraw/zinc/04/88/41/629048841.db2.gz ZEFCWXCUVOVZOM-UHFFFAOYSA-N 0 0 321.440 3.422 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCS[C@@H]1C ZINC000828541439 629064751 /nfs/dbraw/zinc/06/47/51/629064751.db2.gz IBOJLCDINJTQOZ-TZMCWYRMSA-N 0 0 308.447 3.208 20 10 DGCDRN CC(=O)[C@H](OC(=O)c1cc(C)n(-c2ccccn2)c1C)C(C)C ZINC000828702464 629083599 /nfs/dbraw/zinc/08/35/99/629083599.db2.gz VRBMNTQWWHCXOF-QGZVFWFLSA-N 0 0 314.385 3.260 20 10 DGCDRN Cc1cc(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)ccc1N1CCCCC1 ZINC000828785147 629092161 /nfs/dbraw/zinc/09/21/61/629092161.db2.gz CLMKNTQHTFUVHB-KSFYIVLOSA-N 0 0 322.518 3.184 20 10 DGCDRN CC[C@H](CC(F)(F)F)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000828884357 629104808 /nfs/dbraw/zinc/10/48/08/629104808.db2.gz AIQREVDXKCPABK-GXSJLCMTSA-N 0 0 319.323 3.124 20 10 DGCDRN COC(C)(C)CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000828889942 629105746 /nfs/dbraw/zinc/10/57/46/629105746.db2.gz XRYUQDXQADKOGT-UHFFFAOYSA-N 0 0 314.429 3.178 20 10 DGCDRN Cc1cc(CN2CCC(=O)[C@@H](C)C2)ccc1N1CCCCC1 ZINC000828964846 629114521 /nfs/dbraw/zinc/11/45/21/629114521.db2.gz ITCMBORPZVNRGV-INIZCTEOSA-N 0 0 300.446 3.396 20 10 DGCDRN C/C(=C/C(=O)N1CC[C@H](C)c2cccc(O)c21)c1cnccn1 ZINC000829521096 629165992 /nfs/dbraw/zinc/16/59/92/629165992.db2.gz MASYAOZQVVPCAS-IXJPEXDMSA-N 0 0 309.369 3.126 20 10 DGCDRN COC(=O)c1cnc(SCc2c(C)cc(C)nc2OC)s1 ZINC000829677778 629181442 /nfs/dbraw/zinc/18/14/42/629181442.db2.gz LIRYSBXFJBFYTH-UHFFFAOYSA-N 0 0 324.427 3.242 20 10 DGCDRN C[C@@H](NC(=O)/C=C/C1(C)CCOCC1)c1ccc(N(C)C)cc1 ZINC000829818691 629198083 /nfs/dbraw/zinc/19/80/83/629198083.db2.gz ZWWNEKGCCWBHLY-BOLDSZDNSA-N 0 0 316.445 3.303 20 10 DGCDRN Cc1cc(C(=O)CN2C[C@H](C)[C@H]2C)c(C)n1-c1ccc(F)cn1 ZINC000830027958 629218380 /nfs/dbraw/zinc/21/83/80/629218380.db2.gz CRGQEIXIIMDCOA-WCQYABFASA-N 0 0 315.392 3.151 20 10 DGCDRN CCC1(C(=O)NCc2ccc(O)c(O)c2)CCC(F)(F)CC1 ZINC000830559327 629283810 /nfs/dbraw/zinc/28/38/10/629283810.db2.gz MWORJQOQOJCHBW-UHFFFAOYSA-N 0 0 313.344 3.320 20 10 DGCDRN C[C@H](CC(=O)NCc1c(O)ccc2c1CCCC2)[C@H]1CCCO1 ZINC000830559324 629284023 /nfs/dbraw/zinc/28/40/23/629284023.db2.gz MWMIVCLLSDTZGC-FZKQIMNGSA-N 0 0 317.429 3.092 20 10 DGCDRN CO[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)C1CCCC1 ZINC000830559525 629284243 /nfs/dbraw/zinc/28/42/43/629284243.db2.gz QDAVEWIJWTXBTR-GOSISDBHSA-N 0 0 317.429 3.092 20 10 DGCDRN Cc1ccc(N)cc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597965 629286576 /nfs/dbraw/zinc/28/65/76/629286576.db2.gz XAPGBWHVGAJUSQ-UHFFFAOYSA-N 0 0 310.397 3.092 20 10 DGCDRN O=C(OC1CCC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000830599199 629287285 /nfs/dbraw/zinc/28/72/85/629287285.db2.gz JGWSRUPEFDUJMQ-OAHLLOKOSA-N 0 0 305.374 3.062 20 10 DGCDRN C/C(=C/C(=O)N1CC2(CCC2)c2ccccc21)c1cnccn1 ZINC000830940179 629322577 /nfs/dbraw/zinc/32/25/77/629322577.db2.gz NIEQIHPPSLSMGP-KAMYIIQDSA-N 0 0 305.381 3.348 20 10 DGCDRN Cc1csc(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000831140355 629343040 /nfs/dbraw/zinc/34/30/40/629343040.db2.gz JNUTUDIYBMCKSK-LBPRGKRZSA-N 0 0 324.471 3.162 20 10 DGCDRN CC(C)Oc1cccc(CN(C)C(=O)Cc2ccc(N)cc2)c1 ZINC000831457388 629380082 /nfs/dbraw/zinc/38/00/82/629380082.db2.gz WDGFPRKTCHEYKM-UHFFFAOYSA-N 0 0 312.413 3.257 20 10 DGCDRN CCOc1nnc(CN(CC2CC2)c2ccc(OC)cc2)s1 ZINC000831582656 629393749 /nfs/dbraw/zinc/39/37/49/629393749.db2.gz BGMHLJJWOOBXQK-UHFFFAOYSA-N 0 0 319.430 3.362 20 10 DGCDRN COc1ccc(N(CCOC[C@@H]2CCCO2)CC2CC2)cc1 ZINC000831587487 629393772 /nfs/dbraw/zinc/39/37/72/629393772.db2.gz BFXSCKJVONBKPP-SFHVURJKSA-N 0 0 305.418 3.107 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCC2(CC2)CC1 ZINC000831924147 629428674 /nfs/dbraw/zinc/42/86/74/629428674.db2.gz CQLCAOXHABYZEC-GFCCVEGCSA-N 0 0 303.402 3.115 20 10 DGCDRN CSc1cc(C)c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)o1 ZINC000831925524 629428716 /nfs/dbraw/zinc/42/87/16/629428716.db2.gz YJYNELIHBLFKFN-SNVBAGLBSA-N 0 0 321.398 3.082 20 10 DGCDRN CC1=CC[C@](C)(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CC1 ZINC000831931815 629429283 /nfs/dbraw/zinc/42/92/83/629429283.db2.gz VCNIIUYYHZNBDF-UGSOOPFHSA-N 0 0 303.402 3.282 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1cccnc1F ZINC000832089145 629441864 /nfs/dbraw/zinc/44/18/64/629441864.db2.gz VJYHWDBQSKXCKJ-UHFFFAOYSA-N 0 0 315.348 3.127 20 10 DGCDRN CCc1ccc(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000832431262 629479458 /nfs/dbraw/zinc/47/94/58/629479458.db2.gz MOVULLAXNJAEQH-CQSZACIVSA-N 0 0 311.429 3.130 20 10 DGCDRN CO[C@@H](C)[C@H](C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000832803231 629517254 /nfs/dbraw/zinc/51/72/54/629517254.db2.gz YPNHYFKOGMTDBD-HOCLYGCPSA-N 0 0 314.429 3.176 20 10 DGCDRN Cc1cc(O)c(C[N@@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1C ZINC000833746933 629645754 /nfs/dbraw/zinc/64/57/54/629645754.db2.gz LYTCXRJNHVNRJQ-OAHLLOKOSA-N 0 0 305.418 3.332 20 10 DGCDRN Cc1cc(O)c(C[N@@H+]2CCc3ccccc3[C@H]2C(=O)[O-])cc1C ZINC000833747245 629646559 /nfs/dbraw/zinc/64/65/59/629646559.db2.gz UIIQGXYXKAMKRO-SFHVURJKSA-N 0 0 311.381 3.193 20 10 DGCDRN COC(=O)c1cnc(SC[C@@H](O)[C@H](C)c2ccccc2)s1 ZINC000834382646 629702439 /nfs/dbraw/zinc/70/24/39/629702439.db2.gz OJLDZTUCCGAZNY-ZYHUDNBSSA-N 0 0 323.439 3.186 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C/c1cc2cccnc2o1 ZINC000834408542 629706437 /nfs/dbraw/zinc/70/64/37/629706437.db2.gz LRGUXEQXZVDFQG-JLHYYAGUSA-N 0 0 313.382 3.284 20 10 DGCDRN Cc1ccc(O)c(CNc2ccnc(OCC(F)(F)F)n2)c1 ZINC000834482688 629716204 /nfs/dbraw/zinc/71/62/04/629716204.db2.gz RQGMSSSKDBNWCW-UHFFFAOYSA-N 0 0 313.279 3.044 20 10 DGCDRN CC(C)[C@H](N[C@@H]1CCc2cccc(O)c21)C(=O)OC(C)(C)C ZINC000834733538 629769045 /nfs/dbraw/zinc/76/90/45/629769045.db2.gz NBORWRAPCCCXNB-CJNGLKHVSA-N 0 0 305.418 3.335 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](C)CCCO)c1cccc(C(F)(F)F)c1[O-] ZINC000834870813 629794096 /nfs/dbraw/zinc/79/40/96/629794096.db2.gz KNWHJIDBWLSEEQ-WDEREUQCSA-N 0 0 305.340 3.470 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1CCOC2(CCC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834881836 629796275 /nfs/dbraw/zinc/79/62/75/629796275.db2.gz BQCWQSQYYQOYLE-OLZOCXBDSA-N 0 0 320.389 3.300 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cc(C)cs2)c1 ZINC000834882048 629796848 /nfs/dbraw/zinc/79/68/48/629796848.db2.gz DHZFSIAODZSYGM-LLVKDONJSA-N 0 0 305.399 3.400 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000834907596 629806257 /nfs/dbraw/zinc/80/62/57/629806257.db2.gz XGZDMWWHOFBXDW-HRDYMLBCSA-N 0 0 317.216 3.004 20 10 DGCDRN CN(C)c1ccc(/C=C/CN(CCCO)CC(F)(F)F)cc1 ZINC000835027391 629829079 /nfs/dbraw/zinc/82/90/79/629829079.db2.gz LKJDKCGYHJKIIM-HWKANZROSA-N 0 0 316.367 3.013 20 10 DGCDRN CN(C)c1ccc(/C=C\CN2CCOC[C@@H]2c2ccco2)cc1 ZINC000835030247 629829733 /nfs/dbraw/zinc/82/97/33/629829733.db2.gz WHSABLZGDCIGSK-LKIHTYOGSA-N 0 0 312.413 3.432 20 10 DGCDRN Cc1nnc([C@H](C)NC/C=C/c2ccc(N(C)C)cc2)s1 ZINC000835046932 629834667 /nfs/dbraw/zinc/83/46/67/629834667.db2.gz AJKMQVVFLJPBNW-FYJFLYSWSA-N 0 0 302.447 3.277 20 10 DGCDRN C[C@@H](C(=O)NC(C)(C)C)N(C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835045881 629835009 /nfs/dbraw/zinc/83/50/09/629835009.db2.gz LGXUNBZVHPIBMB-CDNLZTBQSA-N 0 0 317.477 3.001 20 10 DGCDRN CN(C)c1ccc(/C=C\CN2C[C@]3(CCCO3)[C@H]2C2CC2)cc1 ZINC000835055877 629839571 /nfs/dbraw/zinc/83/95/71/629839571.db2.gz OQPWUWCUJFEKFV-NFYQCCHDSA-N 0 0 312.457 3.409 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCCC(C)(F)F)c1 ZINC000836502385 630123535 /nfs/dbraw/zinc/12/35/35/630123535.db2.gz DKWFLSMLGMTZJS-SNVBAGLBSA-N 0 0 316.348 3.196 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2cc(C)cs2)c1 ZINC000836581114 630136727 /nfs/dbraw/zinc/13/67/27/630136727.db2.gz HFTWPNPVSALRSZ-NSHDSACASA-N 0 0 320.414 3.331 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc2c(n1)CCC2 ZINC000836753680 630158776 /nfs/dbraw/zinc/15/87/76/630158776.db2.gz PGEIPGRYDPQRSH-UHFFFAOYSA-N 0 0 324.428 3.266 20 10 DGCDRN COc1ccccc1CC(C)(C)C(=O)NCc1ccc(N)cc1 ZINC000837302980 630237360 /nfs/dbraw/zinc/23/73/60/630237360.db2.gz OXABAECMSMIWQK-UHFFFAOYSA-N 0 0 312.413 3.163 20 10 DGCDRN C[C@H](C(=O)NCc1ccc(N2CCSCC2)cc1)C1CCC1 ZINC000837348238 630245241 /nfs/dbraw/zinc/24/52/41/630245241.db2.gz CYCFHJFOYLEYGE-AWEZNQCLSA-N 0 0 318.486 3.292 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)[C@@H](C)C3CCC3)CC2)cc1 ZINC000837358332 630247077 /nfs/dbraw/zinc/24/70/77/630247077.db2.gz PVIPWHJOYNDJOV-HNNXBMFYSA-N 0 0 316.445 3.170 20 10 DGCDRN CC[C@@H](CC(F)F)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000837485960 630265639 /nfs/dbraw/zinc/26/56/39/630265639.db2.gz SIEBGBPIWVHERH-ZJUUUORDSA-N 0 0 301.333 3.259 20 10 DGCDRN C[C@@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1CCC1 ZINC000837490741 630266014 /nfs/dbraw/zinc/26/60/14/630266014.db2.gz KPAAOELBQMCWOS-RHSMWYFYSA-N 0 0 317.429 3.336 20 10 DGCDRN C[C@@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1CCC1 ZINC000837490740 630266268 /nfs/dbraw/zinc/26/62/68/630266268.db2.gz KPAAOELBQMCWOS-PBHICJAKSA-N 0 0 317.429 3.336 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OC[C@@H]1CCCCC1(F)F ZINC000837586924 630280147 /nfs/dbraw/zinc/28/01/47/630280147.db2.gz HLLGGHHFQBFQCP-HWPRWLFBSA-N 0 0 312.312 3.480 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@H]2C2CCC2)cc1F ZINC000102905182 630307103 /nfs/dbraw/zinc/30/71/03/630307103.db2.gz UXYUPBWCWLQMFW-INIZCTEOSA-N 0 0 319.424 3.366 20 10 DGCDRN COc1ccc([C@@H](CO)C[NH2+][C@H](C)c2ccc(C)cc2O)cc1 ZINC000840808810 630360609 /nfs/dbraw/zinc/36/06/09/630360609.db2.gz MRILIEHZFBJMII-GDBMZVCRSA-N 0 0 315.413 3.136 20 10 DGCDRN Cc1cc(O)c(CNc2cc(C(=O)N(C)C)ccn2)c(Cl)c1 ZINC000840883772 630371480 /nfs/dbraw/zinc/37/14/80/630371480.db2.gz XOMPGCJIGBMMEY-UHFFFAOYSA-N 0 0 319.792 3.063 20 10 DGCDRN COC(=O)Cc1cccc(NCc2c(O)cc(C)cc2Cl)n1 ZINC000840885599 630372510 /nfs/dbraw/zinc/37/25/10/630372510.db2.gz XZMSGXWPJOITPY-UHFFFAOYSA-N 0 0 320.776 3.077 20 10 DGCDRN CCC1(CC)CN(Cc2ccc(N(C)C)cc2C)CC[S@@]1=O ZINC000840938789 630381533 /nfs/dbraw/zinc/38/15/33/630381533.db2.gz RIOXTZGYQJWTQU-QFIPXVFZSA-N 0 0 322.518 3.184 20 10 DGCDRN Cc1cc(O)c(CNCc2nccc(C(F)F)n2)c(Cl)c1 ZINC000840945701 630381883 /nfs/dbraw/zinc/38/18/83/630381883.db2.gz VSIIAYUEAVSAOG-UHFFFAOYSA-N 0 0 313.735 3.371 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ccc(OCCCO)cc1 ZINC000840945866 630382003 /nfs/dbraw/zinc/38/20/03/630382003.db2.gz DCRIBXKPLNJCPF-UHFFFAOYSA-N 0 0 314.429 3.434 20 10 DGCDRN COC(=O)[C@@H](C)c1cccc(NCc2c(O)cccc2OC)c1 ZINC000840958965 630386168 /nfs/dbraw/zinc/38/61/68/630386168.db2.gz WXJVSXZTDPCWOE-LBPRGKRZSA-N 0 0 315.369 3.289 20 10 DGCDRN O=C([O-])C[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000840996955 630392375 /nfs/dbraw/zinc/39/23/75/630392375.db2.gz CKVPVKFFMNDTCD-KRWDZBQOSA-N 0 0 316.445 3.364 20 10 DGCDRN CCC(CC)[C@H]1C[C@H](NC(=O)Nc2ccc(N)cc2)CCO1 ZINC000841296251 630424029 /nfs/dbraw/zinc/42/40/29/630424029.db2.gz RWEMNHPXVDAGPE-HZPDHXFCSA-N 0 0 305.422 3.374 20 10 DGCDRN CC(C)(O)CN(Cc1ccccc1)C(=O)Nc1ccc(N)cc1 ZINC000841296188 630424085 /nfs/dbraw/zinc/42/40/85/630424085.db2.gz QFKZHZYCAUTLRU-UHFFFAOYSA-N 0 0 313.401 3.074 20 10 DGCDRN Nc1ccc(NC(=O)NC[C@@H]2CCCN(c3ccccc3)C2)cc1 ZINC000841296494 630424098 /nfs/dbraw/zinc/42/40/98/630424098.db2.gz FLVFLLHODJTVCE-HNNXBMFYSA-N 0 0 324.428 3.307 20 10 DGCDRN C[C@H](CCO)N(Cc1ccccc1)C(=O)Nc1ccc(N)cc1 ZINC000841296220 630424127 /nfs/dbraw/zinc/42/41/27/630424127.db2.gz QXGVECXTOVJEBU-CQSZACIVSA-N 0 0 313.401 3.074 20 10 DGCDRN CCc1ccc([C@@H]2COCCN2C(=O)Nc2ccc(N)cc2)o1 ZINC000841296794 630424454 /nfs/dbraw/zinc/42/44/54/630424454.db2.gz ZAJHRWGQIRMVGI-HNNXBMFYSA-N 0 0 315.373 3.030 20 10 DGCDRN Nc1ccc(NC(=O)N[C@H]2CCOC3(CCCCC3)C2)cc1 ZINC000841298633 630424555 /nfs/dbraw/zinc/42/45/55/630424555.db2.gz RISQOAFZGBSXAS-HNNXBMFYSA-N 0 0 303.406 3.272 20 10 DGCDRN COc1cccc([C@H]2C[C@H](NC(=O)Nc3ccc(N)cc3)C2)c1 ZINC000841297157 630424583 /nfs/dbraw/zinc/42/45/83/630424583.db2.gz AYPLYZWGICKRDT-SAZUREKKSA-N 0 0 311.385 3.345 20 10 DGCDRN CC(C)(C)c1nc(CCNC(=O)Nc2ccc(N)cc2)cs1 ZINC000841298230 630424588 /nfs/dbraw/zinc/42/45/88/630424588.db2.gz OMYCOHHFADFDIT-UHFFFAOYSA-N 0 0 318.446 3.387 20 10 DGCDRN COc1ccc(O)c(CNC(=O)C2(C(F)(F)F)CCCC2)c1 ZINC000841406665 630436033 /nfs/dbraw/zinc/43/60/33/630436033.db2.gz SHOYJZADJOWNPA-UHFFFAOYSA-N 0 0 317.307 3.140 20 10 DGCDRN Cc1ccccc1C[C@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841718397 630459269 /nfs/dbraw/zinc/45/92/69/630459269.db2.gz QRODIKAFIPQARQ-HNNXBMFYSA-N 0 0 311.429 3.050 20 10 DGCDRN CCCC1CCC(NC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841734863 630460695 /nfs/dbraw/zinc/46/06/95/630460695.db2.gz USRVYRWFJSHBDR-UHFFFAOYSA-N 0 0 303.450 3.469 20 10 DGCDRN C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(Cl)cc1[O-] ZINC000841745767 630461908 /nfs/dbraw/zinc/46/19/08/630461908.db2.gz SSGADGWUONCWDU-LLVKDONJSA-N 0 0 311.809 3.382 20 10 DGCDRN COCC1(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CCOCC1 ZINC000841757967 630462953 /nfs/dbraw/zinc/46/29/53/630462953.db2.gz QHJBCJMCYSHYLH-LBPRGKRZSA-N 0 0 313.825 3.139 20 10 DGCDRN C[C@H]([NH2+]CC1(CF)CCOCC1)c1ccc(Cl)cc1[O-] ZINC000841757132 630462963 /nfs/dbraw/zinc/46/29/63/630462963.db2.gz MJIYPOFYPUPEQP-NSHDSACASA-N 0 0 301.789 3.463 20 10 DGCDRN C[C@H]([NH2+]CC1(N(C)C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000841762961 630463192 /nfs/dbraw/zinc/46/31/92/630463192.db2.gz NOYVLWMTQDGTAD-VIFPVBQESA-N 0 0 303.233 3.444 20 10 DGCDRN CC[C@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1cccc(Cl)c1[O-] ZINC000841763018 630463371 /nfs/dbraw/zinc/46/33/71/630463371.db2.gz TUQFCZOXWIRHNU-GWCFXTLKSA-N 0 0 318.795 3.426 20 10 DGCDRN CCC[C@H]1CCCC[C@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841788083 630465293 /nfs/dbraw/zinc/46/52/93/630465293.db2.gz RHAJDQMFVVBAQF-DOTOQJQBSA-N 0 0 303.450 3.469 20 10 DGCDRN CCCN(CCC)c1ccc(C[NH2+][C@H](C(=O)[O-])C2CC2)cc1 ZINC000841809030 630466565 /nfs/dbraw/zinc/46/65/65/630466565.db2.gz ROKRSGGDLAZQGQ-KRWDZBQOSA-N 0 0 304.434 3.266 20 10 DGCDRN CCCN(CCC)c1ccc(C[NH2+]CC2(C(=O)[O-])CC2)cc1 ZINC000841809211 630466618 /nfs/dbraw/zinc/46/66/18/630466618.db2.gz VIOCWOQMYJTDHN-UHFFFAOYSA-N 0 0 304.434 3.267 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@@H](CC2CC2)C(=O)[O-])cc1F ZINC000841807490 630466799 /nfs/dbraw/zinc/46/67/99/630466799.db2.gz BYTVDZRMOBDDGD-HNNXBMFYSA-N 0 0 308.397 3.015 20 10 DGCDRN CCCN(CCC)c1ccc(C[NH2+][C@H]2C=C[C@@H](C(=O)[O-])C2)cc1 ZINC000841814156 630467476 /nfs/dbraw/zinc/46/74/76/630467476.db2.gz QSVIFSHVWBGDCG-SJORKVTESA-N 0 0 316.445 3.432 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]C[C@H]2CCC[C@H]2C(=O)[O-])cc1 ZINC000841819874 630468576 /nfs/dbraw/zinc/46/85/76/630468576.db2.gz KJCDRKZBVSLIDA-NVXWUHKLSA-N 0 0 304.434 3.123 20 10 DGCDRN Cc1ccc([C@@H]2CCN(C(=O)NCCc3ccc(N)cc3)C2)cc1 ZINC000841956680 630476810 /nfs/dbraw/zinc/47/68/10/630476810.db2.gz DUDBQKKOMNWRQL-GOSISDBHSA-N 0 0 323.440 3.319 20 10 DGCDRN CC(C)C[C@]1(C)CCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841956251 630476893 /nfs/dbraw/zinc/47/68/93/630476893.db2.gz ZUOSJKGSJTYTGL-SFHVURJKSA-N 0 0 303.450 3.422 20 10 DGCDRN CCC[C@@H]1[C@H](C)CCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841955326 630476918 /nfs/dbraw/zinc/47/69/18/630476918.db2.gz ZDMOBVPGWHYGJD-RHSMWYFYSA-N 0 0 303.450 3.422 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000841955085 630476995 /nfs/dbraw/zinc/47/69/95/630476995.db2.gz ULSSVFYBWLXAIO-LJQANCHMSA-N 0 0 313.445 3.343 20 10 DGCDRN CN(C(=O)NCCc1ccc(N)cc1)[C@@H]1CCc2ccccc21 ZINC000841962004 630477156 /nfs/dbraw/zinc/47/71/56/630477156.db2.gz KEKIFKZWAUPBGD-GOSISDBHSA-N 0 0 309.413 3.140 20 10 DGCDRN C[C@H](c1cccs1)N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841962795 630477176 /nfs/dbraw/zinc/47/71/76/630477176.db2.gz STLWVHSMBDGAOP-GFCCVEGCSA-N 0 0 303.431 3.275 20 10 DGCDRN C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)[C@@H]2CCCC[C@H]21 ZINC000841960938 630477222 /nfs/dbraw/zinc/47/72/22/630477222.db2.gz YALVSZPMWFWBRE-XOKHGSTOSA-N 0 0 301.434 3.031 20 10 DGCDRN C[C@@H]1CCN(C(=O)NCCc2ccc(N)cc2)CC12CCC2 ZINC000841960590 630477353 /nfs/dbraw/zinc/47/73/53/630477353.db2.gz TWBJSVSILYCEOP-CQSZACIVSA-N 0 0 301.434 3.033 20 10 DGCDRN CC[C@H](NC(=O)NCc1cccc(OC)c1O)[C@@H]1CC1(C)C ZINC000842190042 630504516 /nfs/dbraw/zinc/50/45/16/630504516.db2.gz KTLOCMBHOSVIGN-STQMWFEESA-N 0 0 306.406 3.025 20 10 DGCDRN c1nc2cc(NCc3ccc(N4CCOCC4)cc3)ccc2[nH]1 ZINC000842207367 630505721 /nfs/dbraw/zinc/50/57/21/630505721.db2.gz ASDRXMZSCWNISG-UHFFFAOYSA-N 0 0 308.385 3.012 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc3c2CCC3)c1 ZINC000104900625 630573759 /nfs/dbraw/zinc/57/37/59/630573759.db2.gz QOROMLZNJKNUDG-GFCCVEGCSA-N 0 0 311.381 3.381 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)C(F)=C3CCC3)C2)cc1 ZINC000842874132 630588043 /nfs/dbraw/zinc/58/80/43/630588043.db2.gz KPGRYEKZFOMPHX-CYBMUJFWSA-N 0 0 319.376 3.472 20 10 DGCDRN C/C=C(/CC)C(=O)OC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000842876716 630588062 /nfs/dbraw/zinc/58/80/62/630588062.db2.gz VYCOPKPMFCGDPF-DVWGGOINSA-N 0 0 303.402 3.421 20 10 DGCDRN CC[C@H](SC)C(=O)OC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000842878148 630588611 /nfs/dbraw/zinc/58/86/11/630588611.db2.gz HTYFXQOTLOARKE-BBRMVZONSA-N 0 0 323.458 3.206 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)c3c[nH]cc3C)C2)cc1 ZINC000842879326 630588661 /nfs/dbraw/zinc/58/86/61/630588661.db2.gz RIENVZIJAKHHST-CQSZACIVSA-N 0 0 314.385 3.015 20 10 DGCDRN C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1cc(Br)cc(F)c1[O-] ZINC000842928900 630594584 /nfs/dbraw/zinc/59/45/84/630594584.db2.gz KYZDMPUVNATART-KHQFGBGNSA-N 0 0 318.186 3.122 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cc(Br)cc(F)c1[O-] ZINC000842928904 630594605 /nfs/dbraw/zinc/59/46/05/630594605.db2.gz KYZDMPUVNATART-WEDXCCLWSA-N 0 0 318.186 3.122 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1F ZINC000843039099 630606396 /nfs/dbraw/zinc/60/63/96/630606396.db2.gz ATXYSPZSEVJODN-ZFWWWQNUSA-N 0 0 322.424 3.215 20 10 DGCDRN [NH3+][C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])C[C@H]1c1ccccc1 ZINC000843115720 630615175 /nfs/dbraw/zinc/61/51/75/630615175.db2.gz QAYFSSUXNCCQOO-GOEBONIOSA-N 0 0 320.795 3.111 20 10 DGCDRN COc1cccc(CNC(=O)Nc2cccc3[nH]ccc32)c1O ZINC000105028843 630615741 /nfs/dbraw/zinc/61/57/41/630615741.db2.gz LSXQOUJUMMDZCF-UHFFFAOYSA-N 0 0 311.341 3.204 20 10 DGCDRN CC(C)[C@H]1C[C@@H](Cc2nc(Cc3ccc(N)cc3)no2)CCO1 ZINC000843158652 630623039 /nfs/dbraw/zinc/62/30/39/630623039.db2.gz FRECRUFKIHLCDE-GOEBONIOSA-N 0 0 315.417 3.236 20 10 DGCDRN Nc1ccc(Cc2noc(-c3cc4c(s3)CCOC4)n2)cc1 ZINC000843159505 630623537 /nfs/dbraw/zinc/62/35/37/630623537.db2.gz ROSAIDGXIBNGFH-UHFFFAOYSA-N 0 0 313.382 3.044 20 10 DGCDRN Nc1ccc(Cc2nc(Cc3ccc4c(c3)CCC4)no2)cc1 ZINC000843213396 630634422 /nfs/dbraw/zinc/63/44/22/630634422.db2.gz VFVCCNODMGPPQX-UHFFFAOYSA-N 0 0 305.381 3.322 20 10 DGCDRN COc1ccc2c(c1)C[C@@H](C)N(C(=O)Cc1ccc(N)cc1)[C@@H]2C ZINC000843496128 630662859 /nfs/dbraw/zinc/66/28/59/630662859.db2.gz ZVQGQBIRZJORLN-ZIAGYGMSSA-N 0 0 324.424 3.354 20 10 DGCDRN COc1ccc2c(c1)C[C@H](C)N(C(=O)Cc1ccc(N)cc1)[C@@H]2C ZINC000843496127 630662963 /nfs/dbraw/zinc/66/29/63/630662963.db2.gz ZVQGQBIRZJORLN-UONOGXRCSA-N 0 0 324.424 3.354 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1(C(F)F)CC1 ZINC000843607305 630678356 /nfs/dbraw/zinc/67/83/56/630678356.db2.gz YYZWKIULCCGVEN-LBPRGKRZSA-N 0 0 310.388 3.154 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCC[C@@H]1C ZINC000105312003 630690175 /nfs/dbraw/zinc/69/01/75/630690175.db2.gz NCGDORPOSKARNB-YOEHRIQHSA-N 0 0 303.450 3.473 20 10 DGCDRN COCC1(CC(=O)NCc2ccc(N3CCCCC3)cc2)CC1 ZINC000843776426 630700208 /nfs/dbraw/zinc/70/02/08/630700208.db2.gz OTIZZFVEJYFNJM-UHFFFAOYSA-N 0 0 316.445 3.110 20 10 DGCDRN O=C(/C=C/c1cncc(F)c1)N1CCCc2cc(F)cc(F)c21 ZINC000105369381 630704021 /nfs/dbraw/zinc/70/40/21/630704021.db2.gz QSSNFTRRHAGIBN-ONEGZZNKSA-N 0 0 318.298 3.492 20 10 DGCDRN Cc1ccc(C(=O)N2CC3(CC=CC3)[C@@H]2C(C)C)c(O)c1O ZINC000844096608 630709192 /nfs/dbraw/zinc/70/91/92/630709192.db2.gz OWTWOHYLCLOYNM-INIZCTEOSA-N 0 0 301.386 3.223 20 10 DGCDRN COc1ccc(N(Cc2cc3n(n2)CCC3)C(C)C)cc1F ZINC000844305516 630717574 /nfs/dbraw/zinc/71/75/74/630717574.db2.gz CSLWRRWIUSGYHF-UHFFFAOYSA-N 0 0 303.381 3.392 20 10 DGCDRN COc1ccc(N(C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])cc1 ZINC000844353156 630720693 /nfs/dbraw/zinc/72/06/93/630720693.db2.gz PKWBIQINXIULAG-UHFFFAOYSA-N 0 0 320.320 3.388 20 10 DGCDRN COc1ccc(N(C)CC(=O)N(C)[C@H](C)c2ccccc2)cc1 ZINC000844353136 630720737 /nfs/dbraw/zinc/72/07/37/630720737.db2.gz HXHQVMVKMLSPOA-OAHLLOKOSA-N 0 0 312.413 3.351 20 10 DGCDRN COc1ccc(N(C)C[C@@H]2CN(c3ccccc3)C(=O)O2)cc1 ZINC000844353402 630720812 /nfs/dbraw/zinc/72/08/12/630720812.db2.gz VXUQISIBGMPFIU-QGZVFWFLSA-N 0 0 312.369 3.157 20 10 DGCDRN CSCC1(CC(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000844356368 630720997 /nfs/dbraw/zinc/72/09/97/630720997.db2.gz HNPLIVXRIHBMDA-UHFFFAOYSA-N 0 0 318.486 3.219 20 10 DGCDRN CSCC1(CC(=O)NCc2ccc(N(C)C)cc2C)CC1 ZINC000844395760 630724464 /nfs/dbraw/zinc/72/44/64/630724464.db2.gz JYXUQGMBCXZDHA-UHFFFAOYSA-N 0 0 306.475 3.211 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)Nc1cc2c(cn1)CCC2 ZINC000844690135 630786187 /nfs/dbraw/zinc/78/61/87/630786187.db2.gz HKKRACQEQQWSCS-UHFFFAOYSA-N 0 0 317.776 3.251 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cc1 ZINC000844853741 630945408 /nfs/dbraw/zinc/94/54/08/630945408.db2.gz DMVYMEXGSLENIT-PIIMJCKOSA-N 0 0 316.445 3.026 20 10 DGCDRN Cc1noc(C)c1[C@H](C)NC(=O)NCc1cc(Cl)ccc1O ZINC000844972288 631017712 /nfs/dbraw/zinc/01/77/12/631017712.db2.gz DRFWFSWRZSXINB-QMMMGPOBSA-N 0 0 323.780 3.211 20 10 DGCDRN CCN(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[C@H]1CCCOC1 ZINC000845126034 631086823 /nfs/dbraw/zinc/08/68/23/631086823.db2.gz UQGDRMZWYDTNTF-PBHICJAKSA-N 0 0 319.449 3.024 20 10 DGCDRN CSCC1(CC(=O)NCCCSc2nccs2)CC1 ZINC000845504290 631179333 /nfs/dbraw/zinc/17/93/33/631179333.db2.gz BSXXELASJKUTJM-UHFFFAOYSA-N 0 0 316.517 3.275 20 10 DGCDRN COc1ccc(N(C)Cc2cc(OC)c(OC)cc2O)cc1 ZINC000845998245 631205160 /nfs/dbraw/zinc/20/51/60/631205160.db2.gz JTFVMUQOAXWSPY-UHFFFAOYSA-N 0 0 303.358 3.054 20 10 DGCDRN COCCOc1ccccc1CN(C)c1ccc(OC)cc1 ZINC000845999257 631205299 /nfs/dbraw/zinc/20/52/99/631205299.db2.gz VCFJKSQAQYSHCM-UHFFFAOYSA-N 0 0 301.386 3.357 20 10 DGCDRN C[C@H](COCC1CC1)[NH2+]Cc1cccc(Br)c1[O-] ZINC000846074002 631209296 /nfs/dbraw/zinc/20/92/96/631209296.db2.gz VDGZCHPGEVKKIH-SNVBAGLBSA-N 0 0 314.223 3.059 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCC[C@H]2CC2(Cl)Cl)c1 ZINC000846103478 631209548 /nfs/dbraw/zinc/20/95/48/631209548.db2.gz YUGXRJLCDCABGR-JTQLQIEISA-N 0 0 319.188 3.364 20 10 DGCDRN COc1cccc([C@@H](C)Nc2cccc(C(=O)N(C)C)c2)c1O ZINC000846160428 631212855 /nfs/dbraw/zinc/21/28/55/631212855.db2.gz SYXZZANNPZUMED-GFCCVEGCSA-N 0 0 314.385 3.276 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@@](C)(O)c1ccccc1 ZINC000846186135 631214202 /nfs/dbraw/zinc/21/42/02/631214202.db2.gz DSIJUMRTTBUIIL-VEVIJQCQSA-N 0 0 303.377 3.478 20 10 DGCDRN Cc1cc(C[N@H+](CC(=O)[O-])C2CC2)ccc1N1CCCCC1 ZINC000846225821 631215588 /nfs/dbraw/zinc/21/55/88/631215588.db2.gz VEMSIZBAYSZHIH-UHFFFAOYSA-N 0 0 302.418 3.034 20 10 DGCDRN Cc1cc(C[N@@H+]2CCC[C@H](CCC(=O)[O-])C2)ccc1N(C)C ZINC000846281755 631220756 /nfs/dbraw/zinc/22/07/56/631220756.db2.gz QRDOUFWBNULVLV-OAHLLOKOSA-N 0 0 304.434 3.138 20 10 DGCDRN C[C@@]1(c2cccc(F)c2)CCN(C(=O)c2cccc(O)c2O)C1 ZINC000846317042 631226345 /nfs/dbraw/zinc/22/63/45/631226345.db2.gz GHPGIGMMFPWBSY-GOSISDBHSA-N 0 0 315.344 3.041 20 10 DGCDRN CCC[C@H]1C[C@H](C(=O)NCc2cc(Cl)ccc2O)CCO1 ZINC000846472949 631249482 /nfs/dbraw/zinc/24/94/82/631249482.db2.gz GYBKROWZLLHXRU-RISCZKNCSA-N 0 0 311.809 3.257 20 10 DGCDRN CC[C@H](C)CC[C@H](O)CC(=O)NCc1cc(Cl)ccc1O ZINC000846473513 631249748 /nfs/dbraw/zinc/24/97/48/631249748.db2.gz MRACJDBYJYPNHH-FZMZJTMJSA-N 0 0 313.825 3.239 20 10 DGCDRN CC[C@@H]1C[C@@H](CC(=O)NCc2cc(Cl)ccc2O)CCO1 ZINC000846473060 631249812 /nfs/dbraw/zinc/24/98/12/631249812.db2.gz IBBCKTJQPNIDFW-SMDDNHRTSA-N 0 0 311.809 3.257 20 10 DGCDRN CO[C@H]1CCC[C@@H](CC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846474678 631250570 /nfs/dbraw/zinc/25/05/70/631250570.db2.gz ZCWVYOCRSMVSRV-RISCZKNCSA-N 0 0 311.809 3.257 20 10 DGCDRN CC(C)Oc1cncc(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC000846475751 631250628 /nfs/dbraw/zinc/25/06/28/631250628.db2.gz IAHLDAUMBPICOJ-UHFFFAOYSA-N 0 0 320.776 3.158 20 10 DGCDRN C[C@H]1CCC[C@@H](OCC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846477942 631251528 /nfs/dbraw/zinc/25/15/28/631251528.db2.gz XVUNOYNIOKVRTL-SMDDNHRTSA-N 0 0 311.809 3.257 20 10 DGCDRN C[C@@H](CC(F)(F)F)NC(=O)NCc1cc(Cl)ccc1O ZINC000846713087 631291132 /nfs/dbraw/zinc/29/11/32/631291132.db2.gz DIZPLNJSYINISU-ZETCQYMHSA-N 0 0 310.703 3.186 20 10 DGCDRN FC(F)c1cncc(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000846745465 631292087 /nfs/dbraw/zinc/29/20/87/631292087.db2.gz HHWFLJFCJKVGEP-UHFFFAOYSA-N 0 0 319.355 3.468 20 10 DGCDRN COC[C@H](C)Nc1ccccc1NC(=O)C1=CC(=O)CS1 ZINC000847043511 631389613 /nfs/dbraw/zinc/38/96/13/631389613.db2.gz BCEOUCMIQIZJBX-JTQLQIEISA-N 0 0 306.387 3.153 20 10 DGCDRN C/C(=C/c1ccncc1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000847338744 631463010 /nfs/dbraw/zinc/46/30/10/631463010.db2.gz LHIBOYYNVGKNEV-PEZBUJJGSA-N 0 0 321.424 3.402 20 10 DGCDRN CCCN(C(=O)NCCCSc1nccs1)C(C)C ZINC000847335547 631463020 /nfs/dbraw/zinc/46/30/20/631463020.db2.gz FICSUKVFJGBFSY-UHFFFAOYSA-N 0 0 301.481 3.455 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2c(F)ccnc2F)cc1 ZINC000847357005 631467035 /nfs/dbraw/zinc/46/70/35/631467035.db2.gz KPTHHFQAJCHVFT-UHFFFAOYSA-N 0 0 319.355 3.136 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cccc2c1OC(C)(C)C2 ZINC000847569635 631491187 /nfs/dbraw/zinc/49/11/87/631491187.db2.gz GLHGTNNCLRILTF-UHFFFAOYSA-N 0 0 311.381 3.378 20 10 DGCDRN CCN1C[C@H](CSc2ncc(-c3ccccc3)n2C)OC1=O ZINC000848427300 631659898 /nfs/dbraw/zinc/65/98/98/631659898.db2.gz VKNMKNAVALVPAW-CYBMUJFWSA-N 0 0 317.414 3.020 20 10 DGCDRN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC23CC3)c1O ZINC000848553932 631690800 /nfs/dbraw/zinc/69/08/00/631690800.db2.gz RNBQOBXQODYQCL-UFBFGSQYSA-N 0 0 312.207 3.366 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCCN2CCCC[C@H]12)c1cc(F)cc(F)c1[O-] ZINC000848568307 631697187 /nfs/dbraw/zinc/69/71/87/631697187.db2.gz FFVQIIGRHYWGQT-KNXALSJPSA-N 0 0 310.388 3.338 20 10 DGCDRN CCOc1cccc(C[NH2+][C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1O ZINC000848639780 631715444 /nfs/dbraw/zinc/71/54/44/631715444.db2.gz LLRDZLNTWGRDRV-FPMFFAJLSA-N 0 0 321.417 3.016 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848640624 631715501 /nfs/dbraw/zinc/71/55/01/631715501.db2.gz SOKPKQDCFZXYKG-FPMFFAJLSA-N 0 0 322.424 3.117 20 10 DGCDRN CCn1c2ccccc2nc(NCc2ccc(N(C)C)cc2)c1=O ZINC000848643803 631717151 /nfs/dbraw/zinc/71/71/51/631717151.db2.gz VCOWEWIDMOCJMZ-UHFFFAOYSA-N 0 0 322.412 3.095 20 10 DGCDRN CCc1cccc(CN[C@H](CO)c2c(F)cccc2F)c1O ZINC000848896682 631777419 /nfs/dbraw/zinc/77/74/19/631777419.db2.gz HEZRSBMOMGVVHQ-OAHLLOKOSA-N 0 0 307.340 3.056 20 10 DGCDRN CCc1cccc(CNc2ccc3c(c2)N(C(N)=O)CC3)c1O ZINC000848907762 631782110 /nfs/dbraw/zinc/78/21/10/631782110.db2.gz SSRWTNVIPGWCCF-UHFFFAOYSA-N 0 0 311.385 3.008 20 10 DGCDRN CCc1cccc(CNc2ccc(C(=O)NC3CC3)cc2)c1O ZINC000848910578 631783069 /nfs/dbraw/zinc/78/30/69/631783069.db2.gz MTTHVZKNTCDAQS-UHFFFAOYSA-N 0 0 310.397 3.459 20 10 DGCDRN Cc1noc([C@@H](C)N(C)C/C=C/c2ccc(N(C)C)cc2)n1 ZINC000848925771 631790950 /nfs/dbraw/zinc/79/09/50/631790950.db2.gz JXURBNKEHPKTGL-KTRBRXNASA-N 0 0 300.406 3.150 20 10 DGCDRN COc1ccc(O)c(CN(CC(=O)OC(C)(C)C)C2CCC2)c1 ZINC000848927678 631791210 /nfs/dbraw/zinc/79/12/10/631791210.db2.gz KJOZZTCCRXOCJH-UHFFFAOYSA-N 0 0 321.417 3.097 20 10 DGCDRN [NH2+]=C(NCc1cc(Cl)cc(Cl)c1[O-])Nc1ccccn1 ZINC000849077794 631828382 /nfs/dbraw/zinc/82/83/82/631828382.db2.gz OXBZIEJQFRALKT-UHFFFAOYSA-N 0 0 311.172 3.230 20 10 DGCDRN [NH2+]=C(NCc1cccc(Br)c1[O-])Nc1ccccc1 ZINC000849105536 631836729 /nfs/dbraw/zinc/83/67/29/631836729.db2.gz SSPQHGCHMFAOOJ-UHFFFAOYSA-N 0 0 320.190 3.291 20 10 DGCDRN C[C@@H](c1ccccc1)[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C(=O)[O-] ZINC000849230162 631859382 /nfs/dbraw/zinc/85/93/82/631859382.db2.gz CGBKMBUSHVGMOX-KBXCAEBGSA-N 0 0 312.413 3.099 20 10 DGCDRN C[C@@H](c1ccccc1)[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C(=O)[O-] ZINC000849230164 631859554 /nfs/dbraw/zinc/85/95/54/631859554.db2.gz CGBKMBUSHVGMOX-KSSFIOAISA-N 0 0 312.413 3.099 20 10 DGCDRN c1cc(N2CCOCC2)ccc1CNc1cncc2c1CCCC2 ZINC000849346856 631899321 /nfs/dbraw/zinc/89/93/21/631899321.db2.gz DVPDVSOXXFHWBK-UHFFFAOYSA-N 0 0 323.440 3.409 20 10 DGCDRN O=C1[C@@H](Sc2ncc(Cl)s2)CCN1CC(F)(F)F ZINC000849999142 632024630 /nfs/dbraw/zinc/02/46/30/632024630.db2.gz OLHJDEHFCYIKMS-YFKPBYRVSA-N 0 0 316.757 3.052 20 10 DGCDRN COc1cc(NCc2cc(OC)cc(C(C)(C)C)c2O)nn1C ZINC000850250738 632094080 /nfs/dbraw/zinc/09/40/80/632094080.db2.gz CXMSVBGONHVTIV-UHFFFAOYSA-N 0 0 319.405 3.053 20 10 DGCDRN O=C(COC(=O)C1[C@H]2CCCCCC[C@H]12)c1ccc(O)c(O)c1 ZINC000850303920 632108762 /nfs/dbraw/zinc/10/87/62/632108762.db2.gz BKHVFYZDHZDTSH-STQMWFEESA-N 0 0 318.369 3.040 20 10 DGCDRN CC[C@H](COCC1CC1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000850351660 632121675 /nfs/dbraw/zinc/12/16/75/632121675.db2.gz QVJISFNNHYOKCJ-LLVKDONJSA-N 0 0 301.789 3.480 20 10 DGCDRN C[C@H]1C[C@H](NCc2ccc(N3CCCCC3)cc2)c2ncnn21 ZINC000850352413 632122714 /nfs/dbraw/zinc/12/27/14/632122714.db2.gz VAQXDODHEZLJAM-YOEHRIQHSA-N 0 0 311.433 3.064 20 10 DGCDRN Cc1ccncc1CC[NH2+]Cc1cccc(Br)c1[O-] ZINC000850355026 632123540 /nfs/dbraw/zinc/12/35/40/632123540.db2.gz BJDWTKJRFRXJSQ-UHFFFAOYSA-N 0 0 321.218 3.190 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000850388771 632137054 /nfs/dbraw/zinc/13/70/54/632137054.db2.gz PLOUBMFZSWKFLU-NEPJUHHUSA-N 0 0 302.201 3.092 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)c2ccccn2)c1 ZINC000850483271 632166317 /nfs/dbraw/zinc/16/63/17/632166317.db2.gz VQRQDSLQUIOJOI-OLZOCXBDSA-N 0 0 314.385 3.028 20 10 DGCDRN C[C@H]([NH2+][C@@H]1C[C@@H](O)c2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000850529136 632182677 /nfs/dbraw/zinc/18/26/77/632182677.db2.gz PJHSBVYEFXXIGC-OZUAJXCXSA-N 0 0 305.324 3.499 20 10 DGCDRN C[C@H]([NH2+]Cc1c(C2CC2)cnn1C)c1cc(F)cc(F)c1[O-] ZINC000850534828 632185167 /nfs/dbraw/zinc/18/51/67/632185167.db2.gz NRKMDZJXOVJGIS-VIFPVBQESA-N 0 0 307.344 3.132 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](CO)CC1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000850545597 632187806 /nfs/dbraw/zinc/18/78/06/632187806.db2.gz QILOCBJKGJJWDP-ZYHUDNBSSA-N 0 0 317.351 3.470 20 10 DGCDRN CC[C@@H]([NH2+]CCc1cncc(C)n1)c1cccc(Cl)c1[O-] ZINC000850549634 632188965 /nfs/dbraw/zinc/18/89/65/632188965.db2.gz IQNCLSTYNTWWDE-OAHLLOKOSA-N 0 0 305.809 3.427 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(Cl)cc1[O-] ZINC000850555922 632191911 /nfs/dbraw/zinc/19/19/11/632191911.db2.gz JYJCMTMCUKISCO-NEPJUHHUSA-N 0 0 324.852 3.343 20 10 DGCDRN Nc1ccc(NC(=O)N2CCC[C@@H]([C@H]3CCCCO3)C2)cc1 ZINC000850750979 632214771 /nfs/dbraw/zinc/21/47/71/632214771.db2.gz RPLFLBMNLHDINC-CZUORRHYSA-N 0 0 303.406 3.082 20 10 DGCDRN Cc1ccc(-c2noc(CN(C)Cc3ccccc3O)n2)cc1 ZINC000109771895 632316061 /nfs/dbraw/zinc/31/60/61/632316061.db2.gz UIOVROLXRNFNHM-UHFFFAOYSA-N 0 0 309.369 3.383 20 10 DGCDRN Cc1ccc(NC(=O)CN(C)Cc2ccccc2O)cc1Cl ZINC000109770293 632316567 /nfs/dbraw/zinc/31/65/67/632316567.db2.gz PERCNNRFKVAKTQ-UHFFFAOYSA-N 0 0 318.804 3.425 20 10 DGCDRN CCN(CC(=O)Nc1ccc(Cl)nc1)c1ccc(OC)cc1 ZINC000851827067 632504646 /nfs/dbraw/zinc/50/46/46/632504646.db2.gz ADUQLALCBSAVAT-UHFFFAOYSA-N 0 0 319.792 3.209 20 10 DGCDRN COC[C@@H](CN(Cc1cccs1)c1ccc(OC)cc1)OC ZINC000851835960 632505548 /nfs/dbraw/zinc/50/55/48/632505548.db2.gz JMVNRTPGUXACDI-MRXNPFEDSA-N 0 0 321.442 3.425 20 10 DGCDRN COc1ccc(N(Cc2cccs2)C[C@@H]2CCC(=O)O2)cc1 ZINC000851835993 632505906 /nfs/dbraw/zinc/50/59/06/632505906.db2.gz KOZUSAOPDFYIRP-HNNXBMFYSA-N 0 0 317.410 3.469 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)NCCC(C)(C)C)C2)cc1 ZINC000851957959 632530037 /nfs/dbraw/zinc/53/00/37/632530037.db2.gz VDQQTPJWOVBMMP-AWEZNQCLSA-N 0 0 319.449 3.009 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CCC(=O)c2ccccc2)cc1 ZINC000008171226 632545677 /nfs/dbraw/zinc/54/56/77/632545677.db2.gz VBWQDYUUUJRFJC-UHFFFAOYSA-N 0 0 310.397 3.032 20 10 DGCDRN CC[C@@H](Cc1ccc(F)cc1)NC(=O)NCc1ccccc1O ZINC000852441550 632603711 /nfs/dbraw/zinc/60/37/11/632603711.db2.gz BOPJETDRFNLJQC-INIZCTEOSA-N 0 0 316.376 3.352 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2C=CCC2)cc1 ZINC000852513058 632615063 /nfs/dbraw/zinc/61/50/63/632615063.db2.gz SPBJSVIFBFLTCN-MRXNPFEDSA-N 0 0 301.434 3.393 20 10 DGCDRN C[C@@H](c1ccsc1)N1CCN(Cc2cc(F)ccc2O)CC1 ZINC000184972194 660196768 /nfs/dbraw/zinc/19/67/68/660196768.db2.gz GILWMCNODJYKED-ZDUSSCGKSA-N 0 0 320.433 3.472 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NCCC2=CCCCCC2)c1 ZINC000184922803 660195415 /nfs/dbraw/zinc/19/54/15/660195415.db2.gz CAOOKYOHNMSTEQ-UHFFFAOYSA-N 0 0 318.417 3.481 20 10 DGCDRN C[C@H]([NH2+]CCN1CCc2ccccc2C1)c1cc(F)ccc1O ZINC000184923944 660195442 /nfs/dbraw/zinc/19/54/42/660195442.db2.gz ZHRXXEQQQVAPLV-AWEZNQCLSA-N 0 0 314.404 3.240 20 10 DGCDRN CCO[C@H](CCNC(=O)NCc1ccc(N(C)C)cc1)C(C)C ZINC000072731339 660216381 /nfs/dbraw/zinc/21/63/81/660216381.db2.gz YHFYDMHUXZMKJH-QGZVFWFLSA-N 0 0 321.465 3.003 20 10 DGCDRN COc1cccc2c1OC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])C2 ZINC000185334486 660216586 /nfs/dbraw/zinc/21/65/86/660216586.db2.gz DRKXQJFMCSPDFW-FZMZJTMJSA-N 0 0 317.360 3.194 20 10 DGCDRN COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185350567 660217474 /nfs/dbraw/zinc/21/74/74/660217474.db2.gz YXQFBZDFCINDKU-JTQLQIEISA-N 0 0 320.320 3.299 20 10 DGCDRN O=C(c1cscn1)N(Cc1ccco1)Cc1ccccc1O ZINC000173674364 659396127 /nfs/dbraw/zinc/39/61/27/659396127.db2.gz QLKBJEBABPELBU-UHFFFAOYSA-N 0 0 314.366 3.284 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)Cc3ccoc3)cc2)CC1 ZINC000185675343 660236427 /nfs/dbraw/zinc/23/64/27/660236427.db2.gz UBGXJHCWUNKARV-UHFFFAOYSA-N 0 0 312.413 3.375 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000186147493 660270262 /nfs/dbraw/zinc/27/02/62/660270262.db2.gz HAHLJPCXWLSRIU-GDZNZVCISA-N 0 0 303.377 3.174 20 10 DGCDRN C[C@@H](Nc1cnn(Cc2ccncc2)c1)c1ccc(F)cc1O ZINC000186389425 660379902 /nfs/dbraw/zinc/37/99/02/660379902.db2.gz DNPLCUDNNAPTOJ-GFCCVEGCSA-N 0 0 312.348 3.344 20 10 DGCDRN Cc1ncsc1/C=C/C(=O)N1CCOc2cc(C)ccc21 ZINC000186580788 660546951 /nfs/dbraw/zinc/54/69/51/660546951.db2.gz BGQGGQQYAVUMGM-AATRIKPKSA-N 0 0 300.383 3.199 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CC1(Cl)Cl ZINC000028333297 660572643 /nfs/dbraw/zinc/57/26/43/660572643.db2.gz SZBLRPLPZKIOJN-CYBMUJFWSA-N 0 0 313.228 3.097 20 10 DGCDRN CC[C@H]1CN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CCO1 ZINC000030852172 660597269 /nfs/dbraw/zinc/59/72/69/660597269.db2.gz BINRYUNFIRNANS-SFHVURJKSA-N 0 0 312.413 3.345 20 10 DGCDRN COc1cccc(CNC(=O)N[C@H]2CCC[C@@H](C(C)C)C2)c1O ZINC000074091691 660612862 /nfs/dbraw/zinc/61/28/62/660612862.db2.gz WVKNESUHYCBHDM-HIFRSBDPSA-N 0 0 320.433 3.415 20 10 DGCDRN COc1cccc(CNC(=O)N[C@@H]2CCC[C@H](C(C)C)C2)c1O ZINC000074091703 660613062 /nfs/dbraw/zinc/61/30/62/660613062.db2.gz WVKNESUHYCBHDM-DZGCQCFKSA-N 0 0 320.433 3.415 20 10 DGCDRN COCC(C)(C)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708097888 660918175 /nfs/dbraw/zinc/91/81/75/660918175.db2.gz AFPHEFWFFGAMHB-UHFFFAOYSA-N 0 0 322.630 3.323 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])[C@H](C)O ZINC000708173087 660918710 /nfs/dbraw/zinc/91/87/10/660918710.db2.gz VCBRGYZCAXHVKV-WRWORJQWSA-N 0 0 322.630 3.057 20 10 DGCDRN Cc1ncsc1/C=C/C(=O)N1C[C@H](C)Oc2c(F)cccc21 ZINC000187109351 660952986 /nfs/dbraw/zinc/95/29/86/660952986.db2.gz VEXFEFIYSDJMRN-FGEFZZPRSA-N 0 0 318.373 3.418 20 10 DGCDRN COc1ccc(CNC(=O)N[C@H](C)c2ccc(C)cc2)c(O)c1 ZINC000792817837 660986471 /nfs/dbraw/zinc/98/64/71/660986471.db2.gz BWPILNIXBNXVIG-CYBMUJFWSA-N 0 0 314.385 3.270 20 10 DGCDRN COc1ccc(CNC(=O)NCC2CCC(C)CC2)c(O)c1 ZINC000792903610 660992554 /nfs/dbraw/zinc/99/25/54/660992554.db2.gz IUNCERXBHBJWHA-UHFFFAOYSA-N 0 0 306.406 3.026 20 10 DGCDRN COc1ccc(CNC(=O)NC[C@H]2CCCC[C@H]2C)c(O)c1 ZINC000792918525 660993664 /nfs/dbraw/zinc/99/36/64/660993664.db2.gz UFKTYSXEGJMAJT-CHWSQXEVSA-N 0 0 306.406 3.026 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N3CCC(F)(F)CC3)ccc21 ZINC000792953094 660996557 /nfs/dbraw/zinc/99/65/57/660996557.db2.gz XVHASYBQKAVPHR-UHFFFAOYSA-N 0 0 323.387 3.010 20 10 DGCDRN CC[C@@H]1CCC[C@H](NC(=O)NCc2ccc(OC)cc2O)C1 ZINC000792957062 660996976 /nfs/dbraw/zinc/99/69/76/660996976.db2.gz OPYKFKFGHROAOD-OCCSQVGLSA-N 0 0 306.406 3.169 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CC[C@@H](C)C1 ZINC000793023988 661000777 /nfs/dbraw/zinc/00/07/77/661000777.db2.gz IIXYKNCKLWMBBP-HIFRSBDPSA-N 0 0 303.450 3.296 20 10 DGCDRN COC(=O)CC1([NH2+]Cc2c([O-])ccc(Cl)c2F)CCCC1 ZINC000793231537 661015770 /nfs/dbraw/zinc/01/57/70/661015770.db2.gz QFIRGKVXSWCEBH-UHFFFAOYSA-N 0 0 315.772 3.150 20 10 DGCDRN CCOc1ccc(CNc2ccc(OC(F)F)cn2)c(O)c1 ZINC000793267619 661019311 /nfs/dbraw/zinc/01/93/11/661019311.db2.gz YMKDTAWGXJVESK-UHFFFAOYSA-N 0 0 310.300 3.399 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCC2C(C)(C)C2(C)C)c1 ZINC000793309979 661023632 /nfs/dbraw/zinc/02/36/32/661023632.db2.gz WBTBNDLEPRDGSQ-LLVKDONJSA-N 0 0 320.433 3.443 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H](CO)CC1CCC1 ZINC000793323330 661024058 /nfs/dbraw/zinc/02/40/58/661024058.db2.gz UFFCZJWRBMWIJV-GFCCVEGCSA-N 0 0 304.217 3.340 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H](CO)CC1CCC1 ZINC000793323331 661024107 /nfs/dbraw/zinc/02/41/07/661024107.db2.gz UFFCZJWRBMWIJV-LBPRGKRZSA-N 0 0 304.217 3.340 20 10 DGCDRN Cc1ccncc1C[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000793335817 661025132 /nfs/dbraw/zinc/02/51/32/661025132.db2.gz HZYKZSAEWJMLTI-UHFFFAOYSA-N 0 0 321.218 3.490 20 10 DGCDRN COc1c([O-])c(C[N@H+](C)[C@@H]2CCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000793351568 661025726 /nfs/dbraw/zinc/02/57/26/661025726.db2.gz JNOVDCUWJUACBP-GFCCVEGCSA-N 0 0 308.378 3.320 20 10 DGCDRN COc1ccc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)c(O)c1 ZINC000793387294 661029366 /nfs/dbraw/zinc/02/93/66/661029366.db2.gz CAGLYIZMQPNBJI-UHFFFAOYSA-N 0 0 311.740 3.189 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000793607996 661049258 /nfs/dbraw/zinc/04/92/58/661049258.db2.gz GXOBRIPJMOFKHH-UHFFFAOYSA-N 0 0 301.777 3.254 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc3[nH]ccc3s2)c1 ZINC000793689934 661053726 /nfs/dbraw/zinc/05/37/26/661053726.db2.gz QKZPNHGTVNMMGU-SECBINFHSA-N 0 0 316.382 3.435 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@](C)(CO)C(C)C)cc1 ZINC000793732871 661054717 /nfs/dbraw/zinc/05/47/17/661054717.db2.gz MNMLIWPXCHAOCF-IBGZPJMESA-N 0 0 314.429 3.231 20 10 DGCDRN O=C(N[C@@H]1CCCc2ccc(F)cc21)c1cccc(O)c1O ZINC000794055001 661066452 /nfs/dbraw/zinc/06/64/52/661066452.db2.gz AUJYYNGIEILYGZ-CQSZACIVSA-N 0 0 301.317 3.044 20 10 DGCDRN CSCCONC(=O)c1sccc1-n1c(C)ccc1C ZINC000794187537 661071034 /nfs/dbraw/zinc/07/10/34/661071034.db2.gz JDIUVRSONVAQIQ-UHFFFAOYSA-N 0 0 310.444 3.180 20 10 DGCDRN COc1ccc(CNC(=O)[C@@H](C)c2c(F)cccc2F)c(O)c1 ZINC000794376035 661081332 /nfs/dbraw/zinc/08/13/32/661081332.db2.gz AVMWHMWQYSSQQU-JTQLQIEISA-N 0 0 321.323 3.099 20 10 DGCDRN COc1ccc(CNC(=O)c2cc3ccccc3nc2C)c(O)c1 ZINC000794376056 661081471 /nfs/dbraw/zinc/08/14/71/661081471.db2.gz BBQVDVLNYDTKCE-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN CC[C@H](C(=O)NCc1ccc(OC)cc1O)c1ccc(F)cc1 ZINC000794381229 661081769 /nfs/dbraw/zinc/08/17/69/661081769.db2.gz NCWKMYMUTARNJN-INIZCTEOSA-N 0 0 317.360 3.350 20 10 DGCDRN COc1ccc(CNC(=O)Cc2c(C)cc(C)cc2C)c(O)c1 ZINC000794381746 661081877 /nfs/dbraw/zinc/08/18/77/661081877.db2.gz SQKXWSQIMJDQCM-UHFFFAOYSA-N 0 0 313.397 3.185 20 10 DGCDRN COc1ccc(CNC(=O)C(C)(C)c2ccccc2C)c(O)c1 ZINC000794378123 661081987 /nfs/dbraw/zinc/08/19/87/661081987.db2.gz CRCICIRRBZBYFQ-UHFFFAOYSA-N 0 0 313.397 3.303 20 10 DGCDRN CC[C@@H](OC1CCCCC1)C(=O)NCc1ccc(OC)cc1O ZINC000794386921 661082240 /nfs/dbraw/zinc/08/22/40/661082240.db2.gz AZRKTPGNDNVFOO-QGZVFWFLSA-N 0 0 321.417 3.145 20 10 DGCDRN COc1ccc(CNC(=O)c2ccc3c(c2)CCCC3)c(O)c1 ZINC000794382258 661082331 /nfs/dbraw/zinc/08/23/31/661082331.db2.gz SONYJDYBYKVGAG-UHFFFAOYSA-N 0 0 311.381 3.210 20 10 DGCDRN COc1ccc(CNC(=O)Cc2c(F)cccc2Cl)c(O)c1 ZINC000794382405 661082340 /nfs/dbraw/zinc/08/23/40/661082340.db2.gz AYBYACOVYRDPNY-UHFFFAOYSA-N 0 0 323.751 3.052 20 10 DGCDRN COc1ccc(CNC(=O)c2cc3c(ccc(C)c3C)[nH]2)c(O)c1 ZINC000794390094 661082449 /nfs/dbraw/zinc/08/24/49/661082449.db2.gz HNIYGXRDALQFOH-UHFFFAOYSA-N 0 0 324.380 3.429 20 10 DGCDRN COc1ccc(N(Cc2cccs2)Cc2nnc(C)[nH]2)cc1 ZINC000794412942 661083266 /nfs/dbraw/zinc/08/32/66/661083266.db2.gz JPLMJZGIQQRGCA-UHFFFAOYSA-N 0 0 314.414 3.390 20 10 DGCDRN Cc1cncc(CCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000794434383 661084566 /nfs/dbraw/zinc/08/45/66/661084566.db2.gz NGXHMOBHTVXYPW-HNNXBMFYSA-N 0 0 311.429 3.266 20 10 DGCDRN COc1ccc2c(c1)CCCCN2Cc1nnc(C(C)C)[nH]1 ZINC000794453603 661085558 /nfs/dbraw/zinc/08/55/58/661085558.db2.gz OWRRRGKEQJEDEV-UHFFFAOYSA-N 0 0 300.406 3.280 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)cc1 ZINC000794618505 661094016 /nfs/dbraw/zinc/09/40/16/661094016.db2.gz IXTNSIJSWJEKMN-OLZOCXBDSA-N 0 0 314.351 3.347 20 10 DGCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2cccc3c2CCO3)c1 ZINC000794832562 661108225 /nfs/dbraw/zinc/10/82/25/661108225.db2.gz ACUXMTSXTUYGOD-NSHDSACASA-N 0 0 313.353 3.287 20 10 DGCDRN CCn1ncnc1CN[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000794840477 661108656 /nfs/dbraw/zinc/10/86/56/661108656.db2.gz IQEREKRZYNIECR-OAHLLOKOSA-N 0 0 313.449 3.139 20 10 DGCDRN COc1ccc(CNC(=S)Nc2ccccc2C)c(O)c1 ZINC000795031610 661122904 /nfs/dbraw/zinc/12/29/04/661122904.db2.gz MSYTWRHEOQGFMT-UHFFFAOYSA-N 0 0 302.399 3.196 20 10 DGCDRN O=C(NCCCSc1nccs1)[C@@H]1CCC(F)(F)C1 ZINC000795093926 661126297 /nfs/dbraw/zinc/12/62/97/661126297.db2.gz AZPYQUFSRFKOSV-SECBINFHSA-N 0 0 306.403 3.177 20 10 DGCDRN CCc1c(Cl)nc(C)nc1NCc1ccc(OC)cc1O ZINC000795286042 661138259 /nfs/dbraw/zinc/13/82/59/661138259.db2.gz YKJSUUCOIAXHSG-UHFFFAOYSA-N 0 0 307.781 3.327 20 10 DGCDRN COCc1cc([N+](=O)[O-])ccc1NCc1ccc(OC)cc1O ZINC000795285898 661138350 /nfs/dbraw/zinc/13/83/50/661138350.db2.gz VFRSDFBQQHOXDN-UHFFFAOYSA-N 0 0 318.329 3.068 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)OCCC[C@H](C)O)cc1 ZINC000795388769 661145374 /nfs/dbraw/zinc/14/53/74/661145374.db2.gz YLSSFYCXWORDNM-HNNXBMFYSA-N 0 0 301.386 3.412 20 10 DGCDRN Cc1nnnn1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255061856 655588804 /nfs/dbraw/zinc/58/88/04/655588804.db2.gz HPMFRSCBGOWICU-UHFFFAOYSA-N 0 0 321.344 3.036 20 10 DGCDRN C[C@@H]([NH3+])[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000070171692 655604328 /nfs/dbraw/zinc/60/43/28/655604328.db2.gz GFXMCEMVCDTXPZ-NXEZZACHSA-N 0 0 303.233 3.258 20 10 DGCDRN Cc1cncc(/C=C\C(=O)N2CCCc3c([N+](=O)[O-])cccc32)c1 ZINC000255134649 655608658 /nfs/dbraw/zinc/60/86/58/655608658.db2.gz DETIEIACSNDQJP-FPLPWBNLSA-N 0 0 323.352 3.291 20 10 DGCDRN Cc1ccsc1/C=C1\SC(=S)N(Cc2ccon2)C1=O ZINC000178018524 655697115 /nfs/dbraw/zinc/69/71/15/655697115.db2.gz KELZGOXXDUILLT-WDZFZDKYSA-N 0 0 322.436 3.446 20 10 DGCDRN CC[C@](C)(NC(=O)NCc1cc(C)ccc1O)C(F)(F)F ZINC000933504716 655716603 /nfs/dbraw/zinc/71/66/03/655716603.db2.gz KAEUVCVAVHWONR-ZDUSSCGKSA-N 0 0 304.312 3.231 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)CC2CCC(OC)CC2)c1 ZINC000089487168 655731989 /nfs/dbraw/zinc/73/19/89/655731989.db2.gz WJYDOFZSWUDMOC-IYXRBSQSSA-N 0 0 321.417 3.173 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@@H]2C2CC2)cc1F ZINC000176036228 655736693 /nfs/dbraw/zinc/73/66/93/655736693.db2.gz RQFVSOMQLCDTTM-HUUCEWRRSA-N 0 0 304.409 3.334 20 10 DGCDRN Oc1cc2c(cc1CN(CC1CCC1)CC(F)(F)F)OCO2 ZINC000176146041 655737606 /nfs/dbraw/zinc/73/76/06/655737606.db2.gz QWHKMONMDZLBAJ-UHFFFAOYSA-N 0 0 317.307 3.285 20 10 DGCDRN O=C(CN1CC[C@H]1CO)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000934028470 655743558 /nfs/dbraw/zinc/74/35/58/655743558.db2.gz VCEFCNUDGLZQSH-KRWDZBQOSA-N 0 0 324.384 3.107 20 10 DGCDRN Cc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)c(F)cc1F ZINC000176209635 655746563 /nfs/dbraw/zinc/74/65/63/655746563.db2.gz UFAHGUUMRLSEKV-UHFFFAOYSA-N 0 0 322.330 3.408 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)Cc2cccnc2)c1[O-] ZINC000934236388 655758380 /nfs/dbraw/zinc/75/83/80/655758380.db2.gz OOKASSZCYJIQLZ-LLVKDONJSA-N 0 0 318.804 3.364 20 10 DGCDRN C[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2[O-])C[C@H](C)O1 ZINC000724667062 655807040 /nfs/dbraw/zinc/80/70/40/655807040.db2.gz BMMPJZFINXTFIA-IAZYJMLFSA-N 0 0 314.223 3.200 20 10 DGCDRN Cc1nn(C)cc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000168671825 655840187 /nfs/dbraw/zinc/84/01/87/655840187.db2.gz AISNERYKWVLMKP-UHFFFAOYSA-N 0 0 300.189 3.031 20 10 DGCDRN O=C(CCc1ccc(Cl)cc1)NCc1ccc(O)c(O)c1 ZINC000158870358 655857631 /nfs/dbraw/zinc/85/76/31/655857631.db2.gz WSKOFBPNSSRPKG-UHFFFAOYSA-N 0 0 305.761 3.000 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)/C=C\SCc1ccco1 ZINC000255697306 655890708 /nfs/dbraw/zinc/89/07/08/655890708.db2.gz USTPCMNSCDHVBL-NTMALXAHSA-N 0 0 303.383 3.391 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)c(O)c1O ZINC000179392639 655891753 /nfs/dbraw/zinc/89/17/53/655891753.db2.gz QUCBPNBVVUFMHC-CYBMUJFWSA-N 0 0 315.394 3.373 20 10 DGCDRN Cc1ccc(C(=O)NCC(C)(C)c2cccs2)c(O)c1O ZINC000179499495 655894288 /nfs/dbraw/zinc/89/42/88/655894288.db2.gz VETYFNBMYOFBQB-UHFFFAOYSA-N 0 0 305.399 3.175 20 10 DGCDRN Cc1cncc(/C=C\C(=O)N2CCN(C)c3cc(F)ccc32)c1 ZINC000255768453 655897024 /nfs/dbraw/zinc/89/70/24/655897024.db2.gz GRWXGFSKHUBADF-UTCJRWHESA-N 0 0 311.360 3.025 20 10 DGCDRN Cc1nnc(-c2cccc(C(=O)N(C)Cc3ccccc3O)c2)o1 ZINC000177077513 655902398 /nfs/dbraw/zinc/90/23/98/655902398.db2.gz XRWWMGJPZSVAHJ-UHFFFAOYSA-N 0 0 323.352 3.023 20 10 DGCDRN O=C(/C=C\c1ccc(Cl)s1)NCCc1ccc(O)c(O)c1 ZINC000255778297 655906799 /nfs/dbraw/zinc/90/67/99/655906799.db2.gz ZKVLHKPEDNEBJX-UTCJRWHESA-N 0 0 323.801 3.185 20 10 DGCDRN CCS[C@@H]1CCC[C@@H](NC(=O)c2ccc(C)c(O)c2O)C1 ZINC000179536273 655908102 /nfs/dbraw/zinc/90/81/02/655908102.db2.gz KCNSOWFJUOGOAU-VXGBXAGGSA-N 0 0 309.431 3.200 20 10 DGCDRN CCc1nc2cc(NC(=O)c3ccc(C)c(O)c3O)ccc2o1 ZINC000177673687 655939686 /nfs/dbraw/zinc/93/96/86/655939686.db2.gz PEVZPPVBUHWBSE-UHFFFAOYSA-N 0 0 312.325 3.362 20 10 DGCDRN O=C(CC1CCSCC1)NCc1c(O)ccc2c1CCCC2 ZINC000161215646 655962476 /nfs/dbraw/zinc/96/24/76/655962476.db2.gz BWSAKVCJPHASLY-UHFFFAOYSA-N 0 0 319.470 3.421 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cnn(C)c2C)cc1 ZINC000176300594 656071048 /nfs/dbraw/zinc/07/10/48/656071048.db2.gz XIFLSFWZYQRWRC-UHFFFAOYSA-N 0 0 308.385 3.388 20 10 DGCDRN O=C(Nc1ccc(N2CCCC2)c(F)c1)c1cccc(O)c1O ZINC000186981314 656134503 /nfs/dbraw/zinc/13/45/03/656134503.db2.gz MRCDUBQPUCRLEW-UHFFFAOYSA-N 0 0 316.332 3.089 20 10 DGCDRN CC(C)COc1cccc(C(=O)NCCc2ccc(N)cc2)c1 ZINC000236695766 656148703 /nfs/dbraw/zinc/14/87/03/656148703.db2.gz XCIYEJIGZDWBMG-UHFFFAOYSA-N 0 0 312.413 3.276 20 10 DGCDRN C[C@@H](NC(=O)CCCC(=O)C1CC1)c1ccc(N(C)C)cc1 ZINC000828862076 661232979 /nfs/dbraw/zinc/23/29/79/661232979.db2.gz UAWOVJRVVNECSO-CYBMUJFWSA-N 0 0 302.418 3.079 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)nn1C(C)C ZINC000828860763 661233078 /nfs/dbraw/zinc/23/30/78/661233078.db2.gz GXSDEGDVFHNRDU-AWEZNQCLSA-N 0 0 314.433 3.329 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H](CO)CC(F)(F)F ZINC000717790819 661267288 /nfs/dbraw/zinc/26/72/88/661267288.db2.gz NABIMQYUOXJXAU-QMMMGPOBSA-N 0 0 318.122 3.102 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NCC2(C3CC3)CCC2)cc1 ZINC000162886413 656425025 /nfs/dbraw/zinc/42/50/25/656425025.db2.gz CVQMHCOUZHXWHF-UHFFFAOYSA-N 0 0 315.461 3.474 20 10 DGCDRN CCOc1ccccc1NC[C@@H](O)COc1ccccc1C ZINC000314536490 656464671 /nfs/dbraw/zinc/46/46/71/656464671.db2.gz IEYANOMLYYKLKV-OAHLLOKOSA-N 0 0 301.386 3.246 20 10 DGCDRN C[C@@H](Nc1cccc(C(=O)N(C)C)c1)c1cc(F)ccc1O ZINC000317049584 656556485 /nfs/dbraw/zinc/55/64/85/656556485.db2.gz SHSOALXVARNVTG-LLVKDONJSA-N 0 0 302.349 3.406 20 10 DGCDRN CCC(=O)Nc1ccc(NCc2cc(OC)ccc2O)cc1 ZINC000236814032 656643216 /nfs/dbraw/zinc/64/32/16/656643216.db2.gz XVMGVYWQGGJRSO-UHFFFAOYSA-N 0 0 300.358 3.361 20 10 DGCDRN O=C(NC1CC1)c1ccc(NCc2cc(F)ccc2O)cc1 ZINC000317698864 656662216 /nfs/dbraw/zinc/66/22/16/656662216.db2.gz GZLPZWYWKHHZSZ-UHFFFAOYSA-N 0 0 300.333 3.036 20 10 DGCDRN CCOc1cccc2c1OCC(C(=O)Nc1ccc(N)cc1)=C2 ZINC000236982818 657031158 /nfs/dbraw/zinc/03/11/58/657031158.db2.gz YYQLRRPXFGOSGW-UHFFFAOYSA-N 0 0 310.353 3.082 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@@H](CO)C1 ZINC000126438360 657184764 /nfs/dbraw/zinc/18/47/64/657184764.db2.gz ORYIWVOWCUMIFG-CQSZACIVSA-N 0 0 318.442 3.000 20 10 DGCDRN CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nccs2)cc1 ZINC000048874176 657309217 /nfs/dbraw/zinc/30/92/17/657309217.db2.gz VWWREXQEIKHOGY-JTQLQIEISA-N 0 0 306.412 3.465 20 10 DGCDRN O=C1N=C(NC2CCCCC2)SC1=Cc1cccc(O)c1 ZINC000007209209 657387299 /nfs/dbraw/zinc/38/72/99/657387299.db2.gz UNMSTVMGGTVYIH-UVTDQMKNSA-N 0 0 302.399 3.285 20 10 DGCDRN COc1cccc(CN(C)Cc2cc(F)cc(C(C)=O)c2O)c1 ZINC000320696619 657393472 /nfs/dbraw/zinc/39/34/72/657393472.db2.gz FINIECHKDMZCGQ-UHFFFAOYSA-N 0 0 317.360 3.375 20 10 DGCDRN Cc1cc(O)c(C[N@H+]2CCN(C)C[C@H]2c2ccccc2)cc1C ZINC000251081321 657502787 /nfs/dbraw/zinc/50/27/87/657502787.db2.gz UMCKNEGCURXBMK-IBGZPJMESA-N 0 0 310.441 3.498 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCN(C)c3ccccc32)c1O ZINC000320421524 657536057 /nfs/dbraw/zinc/53/60/57/657536057.db2.gz JQAUHRZGCQQNKS-UHFFFAOYSA-N 0 0 314.360 3.190 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)c1ncc([N+](=O)[O-])s1 ZINC000192498972 657538043 /nfs/dbraw/zinc/53/80/43/657538043.db2.gz NACSYJABSOGGLC-UHFFFAOYSA-N 0 0 306.391 3.144 20 10 DGCDRN O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(F)cc1F ZINC000096733752 657553424 /nfs/dbraw/zinc/55/34/24/657553424.db2.gz OZOYFDAMNITBOS-UHFFFAOYSA-N 0 0 318.323 3.054 20 10 DGCDRN CCOc1ccccc1NC[C@@H](O)COCc1ccccc1F ZINC000322141278 658449279 /nfs/dbraw/zinc/44/92/79/658449279.db2.gz WOGCVPTZUQUBDV-OAHLLOKOSA-N 0 0 319.376 3.214 20 10 DGCDRN Cc1cc(C(=O)N(C)CCO)c(C)n1-c1ccc(C(C)C)cc1 ZINC000128004089 658707423 /nfs/dbraw/zinc/70/74/23/658707423.db2.gz IZJNTYZQRPZCBK-UHFFFAOYSA-N 0 0 314.429 3.282 20 10 DGCDRN C[C@@H](NCc1ccc(N(C)C)cc1)c1nc(C(C)(C)C)no1 ZINC000237500551 658721730 /nfs/dbraw/zinc/72/17/30/658721730.db2.gz HCRVDHDPRZLZPV-GFCCVEGCSA-N 0 0 302.422 3.284 20 10 DGCDRN Cc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3O)[nH]n2)cc1 ZINC000119977178 658724608 /nfs/dbraw/zinc/72/46/08/658724608.db2.gz RRHMIHWWOOWYRC-UHFFFAOYSA-N 0 0 321.380 3.363 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1sccc1OC(F)F ZINC000155631630 658835704 /nfs/dbraw/zinc/83/57/04/658835704.db2.gz SMGUUEPYRWNGIK-UHFFFAOYSA-N 0 0 313.325 3.327 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N(C)CC2CCCCC2)cc1 ZINC000031730031 658844617 /nfs/dbraw/zinc/84/46/17/658844617.db2.gz AEIFESJSMDNMRC-UHFFFAOYSA-N 0 0 303.450 3.474 20 10 DGCDRN COc1cc(C)cc(C[N@@H+]2CCc3ccc(F)cc3C2)c1O ZINC000164534935 658937166 /nfs/dbraw/zinc/93/71/66/658937166.db2.gz ZEWGREPMVUDVFP-UHFFFAOYSA-N 0 0 301.361 3.407 20 10 DGCDRN Cc1cc(Br)ccc1C=C1SC(=S)NC1=O ZINC000164607406 658938825 /nfs/dbraw/zinc/93/88/25/658938825.db2.gz YPEZFHICICIEMV-WEVVVXLNSA-N 0 0 314.229 3.246 20 10 DGCDRN C[C@@H](NCc1csc(N(C)C)n1)c1ccc(N(C)C)cc1 ZINC000157056866 658983632 /nfs/dbraw/zinc/98/36/32/658983632.db2.gz XAJSTRIXKZDOAU-GFCCVEGCSA-N 0 0 304.463 3.126 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](c1ccccc1)N(C)C)c1ccc(F)cc1[O-] ZINC000170788849 659238092 /nfs/dbraw/zinc/23/80/92/659238092.db2.gz SINXJPJXXJMTQT-CXAGYDPISA-N 0 0 302.393 3.485 20 10 DGCDRN COc1cccc(CNC(=O)c2ccccc2SC)c1O ZINC000171487608 659282133 /nfs/dbraw/zinc/28/21/33/659282133.db2.gz FSUGAGNQHHXUOY-UHFFFAOYSA-N 0 0 303.383 3.053 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCCc3ccccc3C2)cc1 ZINC000171689157 659295294 /nfs/dbraw/zinc/29/52/94/659295294.db2.gz YWESSNMZLQQWDO-UHFFFAOYSA-N 0 0 323.440 3.411 20 10 DGCDRN Cc1cc(C(=O)N(C)c2cnn(C)c2)c(C)n1-c1cccc(C)c1 ZINC000173011020 659369464 /nfs/dbraw/zinc/36/94/64/659369464.db2.gz ROPLFUNADHMGLB-UHFFFAOYSA-N 0 0 322.412 3.413 20 10 DGCDRN C[C@@H]([NH3+])[C@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000063191307 659370189 /nfs/dbraw/zinc/37/01/89/659370189.db2.gz JOHDIZRBJDHLHW-NOZJJQNGSA-N 0 0 303.233 3.401 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2c(F)cc(F)cc2F)cc1 ZINC000174249205 659422759 /nfs/dbraw/zinc/42/27/59/659422759.db2.gz YHPQYEIPLVSQHA-UHFFFAOYSA-N 0 0 323.318 3.492 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1nccs1 ZINC000174245787 659423045 /nfs/dbraw/zinc/42/30/45/659423045.db2.gz CUESYLYUCTXTSG-UHFFFAOYSA-N 0 0 303.387 3.049 20 10 DGCDRN COc1ccc(-n2c(C)cc(C(=O)NCc3ccc[nH]3)c2C)cc1 ZINC000174327483 659427333 /nfs/dbraw/zinc/42/73/33/659427333.db2.gz OYBYTWHRJFLVBY-UHFFFAOYSA-N 0 0 323.396 3.361 20 10 DGCDRN CCc1nc(NC(=O)NCc2cc(OC)ccc2O)sc1C ZINC000174349722 659431157 /nfs/dbraw/zinc/43/11/57/659431157.db2.gz RGQXSEZSGWUANY-UHFFFAOYSA-N 0 0 321.402 3.050 20 10 DGCDRN Cc1cnc(COC(=O)c2cc(C)n(-c3ccccn3)c2C)o1 ZINC000174732715 659573671 /nfs/dbraw/zinc/57/36/71/659573671.db2.gz QMCXHCQBDWUTGS-UHFFFAOYSA-N 0 0 311.341 3.143 20 10 DGCDRN Cc1cnc([C@H](NC(=O)c2ccc(C)c(O)c2O)C2CC2)s1 ZINC000179517934 659931894 /nfs/dbraw/zinc/93/18/94/659931894.db2.gz LCEZSLMIIZWQBE-GFCCVEGCSA-N 0 0 318.398 3.052 20 10 DGCDRN C[C@H]1CCc2c(C(=O)NCCc3ccc(N)cc3)csc2C1 ZINC000237613910 659932310 /nfs/dbraw/zinc/93/23/10/659932310.db2.gz BGHPGGZFPDZRLT-LBPRGKRZSA-N 0 0 314.454 3.428 20 10 DGCDRN Cc1ccc(C(=O)N2CCc3ccc(Cl)cc32)c(O)c1O ZINC000179534013 659932520 /nfs/dbraw/zinc/93/25/20/659932520.db2.gz NLDQLXXLECEGPU-UHFFFAOYSA-N 0 0 303.745 3.263 20 10 DGCDRN CCS[C@@H]1CCC[C@H](NC(=O)c2ccc(C)c(O)c2O)C1 ZINC000179536249 659932579 /nfs/dbraw/zinc/93/25/79/659932579.db2.gz KCNSOWFJUOGOAU-NWDGAFQWSA-N 0 0 309.431 3.200 20 10 DGCDRN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(N)cc1 ZINC000237654016 659934339 /nfs/dbraw/zinc/93/43/39/659934339.db2.gz WJYRNUWJORYHND-UHFFFAOYSA-N 0 0 307.353 3.413 20 10 DGCDRN Oc1cc2c(cc1CNCc1cc(-c3ccccc3)on1)OCO2 ZINC000238132838 659959607 /nfs/dbraw/zinc/95/96/07/659959607.db2.gz PBHSNJVUFYGTTO-UHFFFAOYSA-N 0 0 324.336 3.066 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CC23CCCCC3)c1 ZINC000180565115 659965418 /nfs/dbraw/zinc/96/54/18/659965418.db2.gz AXIJARABQDEPPR-BLLLJJGKSA-N 0 0 318.417 3.484 20 10 DGCDRN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(F)cc1F ZINC000180597928 659965976 /nfs/dbraw/zinc/96/59/76/659965976.db2.gz OQHGNBZXPCRYLO-HTZNOQTFSA-N 0 0 319.307 3.267 20 10 DGCDRN COc1ccc(N(C)Cc2ccc(OC)c(OC)c2)cc1F ZINC000180775001 659970557 /nfs/dbraw/zinc/97/05/57/659970557.db2.gz KBIUCUDOELGLOZ-UHFFFAOYSA-N 0 0 305.349 3.488 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc2ncsc2c1 ZINC000180930997 659974916 /nfs/dbraw/zinc/97/49/16/659974916.db2.gz MQYJPFQMFYLDHG-QHHAFSJGSA-N 0 0 312.350 3.359 20 10 DGCDRN CN(CCCc1ccccc1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180932463 659974926 /nfs/dbraw/zinc/97/49/26/659974926.db2.gz DEMZUVPZDYKOHV-ZRDIBKRKSA-N 0 0 311.381 3.202 20 10 DGCDRN CC(C)C[C@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181193287 659986347 /nfs/dbraw/zinc/98/63/47/659986347.db2.gz ZNJAPRMTMOGTQX-PMGBHYCQSA-N 0 0 303.402 3.396 20 10 DGCDRN COc1ccc(O)c(CNC(=O)CCc2ccc3[nH]ccc3c2)c1 ZINC000181446229 660000808 /nfs/dbraw/zinc/00/08/08/660000808.db2.gz MMYULFOTQHBTDL-UHFFFAOYSA-N 0 0 324.380 3.131 20 10 DGCDRN Cc1ccc(O)c(CNc2nnc(Cc3ccc(F)cc3)o2)c1 ZINC000181694797 660016172 /nfs/dbraw/zinc/01/61/72/660016172.db2.gz YNUODQNKBIJFDJ-UHFFFAOYSA-N 0 0 313.332 3.426 20 10 DGCDRN Cc1ccc(C(=O)N2CCCc3cc(F)ccc32)c(O)c1O ZINC000182124088 660034739 /nfs/dbraw/zinc/03/47/39/660034739.db2.gz RHRSDHJRSCMXOW-UHFFFAOYSA-N 0 0 301.317 3.138 20 10 DGCDRN [NH3+]CC[C@@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000070148608 660039220 /nfs/dbraw/zinc/03/92/20/660039220.db2.gz JMTKXEPGYVJZTM-LBPRGKRZSA-N 0 0 303.233 3.402 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccc3scnc3c2)c(O)c1O ZINC000182286497 660041156 /nfs/dbraw/zinc/04/11/56/660041156.db2.gz KXBWKXFNXRTIQD-UHFFFAOYSA-N 0 0 300.339 3.268 20 10 DGCDRN COc1ccc(C(=O)NCc2ccc(O)c(O)c2)c2ccccc12 ZINC000182521589 660060619 /nfs/dbraw/zinc/06/06/19/660060619.db2.gz JXZLROVPHWQRJQ-UHFFFAOYSA-N 0 0 323.348 3.190 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1ccc(-c2ccccc2)[nH]1 ZINC000182534157 660061526 /nfs/dbraw/zinc/06/15/26/660061526.db2.gz RKUXFIGILMFVRY-UHFFFAOYSA-N 0 0 308.337 3.023 20 10 DGCDRN CCCN(Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CC[NH2+]C1 ZINC000071314542 660113624 /nfs/dbraw/zinc/11/36/24/660113624.db2.gz JYQRUJJGERNLDS-GFCCVEGCSA-N 0 0 303.233 3.273 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1ncnc2ccc(F)cc21 ZINC000183599841 660125662 /nfs/dbraw/zinc/12/56/62/660125662.db2.gz ZIMUXLHARCUCOO-JTQLQIEISA-N 0 0 313.332 3.223 20 10 DGCDRN COC(=O)COc1ccc(N(C)Cc2ccc(F)cc2)cc1 ZINC000183799822 660139505 /nfs/dbraw/zinc/13/95/05/660139505.db2.gz RXNIXSWZJOBWCV-UHFFFAOYSA-N 0 0 303.333 3.014 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Nc2cccc(F)n2)cc1 ZINC000183968416 660150546 /nfs/dbraw/zinc/15/05/46/660150546.db2.gz ZQGWSQNMAUZGKX-UHFFFAOYSA-N 0 0 316.380 3.389 20 10 DGCDRN COc1cc(Cl)cc(CNc2ccc3c(c2)OCO3)c1O ZINC000076274213 660157493 /nfs/dbraw/zinc/15/74/93/660157493.db2.gz IENPNLMFUCIJAY-UHFFFAOYSA-N 0 0 307.733 3.395 20 10 DGCDRN Cc1ccc(NC(=O)NCc2c(O)ccc3c2CCCC3)nc1 ZINC000184201890 660158731 /nfs/dbraw/zinc/15/87/31/660158731.db2.gz LSIGICQCEBPWHE-UHFFFAOYSA-N 0 0 311.385 3.296 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@]2(c3ccccc3)CCCO2)cc1 ZINC000929401234 661304380 /nfs/dbraw/zinc/30/43/80/661304380.db2.gz CUGLDYXOPYSAMP-FQEVSTJZSA-N 0 0 324.424 3.075 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CC1(C)COC1 ZINC000929539837 661315990 /nfs/dbraw/zinc/31/59/90/661315990.db2.gz IDDHDMNCROKRAC-UHFFFAOYSA-N 0 0 316.445 3.062 20 10 DGCDRN COc1ccc(N(Cc2noc3c2COCC3)C(C)C)cc1F ZINC000929951393 661353091 /nfs/dbraw/zinc/35/30/91/661353091.db2.gz SERLZMRAQUUXAC-UHFFFAOYSA-N 0 0 320.364 3.310 20 10 DGCDRN CCc1ncc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000929970752 661354681 /nfs/dbraw/zinc/35/46/81/661354681.db2.gz KUUYIFGZUXJQDJ-OAHLLOKOSA-N 0 0 316.401 3.124 20 10 DGCDRN O=C(Nc1scnc1C1CC1)N1Cc2cccc(O)c2C1 ZINC000930593031 661413695 /nfs/dbraw/zinc/41/36/95/661413695.db2.gz BULPZKDLCCNZHF-UHFFFAOYSA-N 0 0 301.371 3.274 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2c[nH]ccc-2n1 ZINC000930905972 661438529 /nfs/dbraw/zinc/43/85/29/661438529.db2.gz YUDLLDHKBXXXHS-UHFFFAOYSA-N 0 0 322.412 3.291 20 10 DGCDRN COC(=O)/C=C\c1ccc(N(C)[C@H](C)C2CC2)c([N+](=O)[O-])c1 ZINC000931454115 661477845 /nfs/dbraw/zinc/47/78/45/661477845.db2.gz QUNDFIWRUGLCRG-YOOZJCNJSA-N 0 0 304.346 3.016 20 10 DGCDRN Cn1cnc(/C=C\C(=O)N2CC3(CCC3)c3c2cccc3F)c1 ZINC000931526606 661485038 /nfs/dbraw/zinc/48/50/38/661485038.db2.gz AGOLDEWQKYYOPZ-SREVYHEPSA-N 0 0 311.360 3.041 20 10 DGCDRN O=C(Nc1ccc2c(n1)CCCC2)N1Cc2cccc(O)c2C1 ZINC000932247396 661553139 /nfs/dbraw/zinc/55/31/39/661553139.db2.gz PXACJRRUFSMRNM-UHFFFAOYSA-N 0 0 309.369 3.214 20 10 DGCDRN CC[C@H]1CCC[C@H](NC(=O)NCc2cccc(OC)c2O)C1 ZINC000074416086 661589976 /nfs/dbraw/zinc/58/99/76/661589976.db2.gz BDSHPYJJQOLSOS-JSGCOSHPSA-N 0 0 306.406 3.169 20 10 DGCDRN COc1ccc(N2CCN(C(=O)CCC3(C)CC3)CC2)cc1F ZINC000934402827 661704456 /nfs/dbraw/zinc/70/44/56/661704456.db2.gz AZRJKXRPGMRWPD-UHFFFAOYSA-N 0 0 320.408 3.063 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000934706123 661728247 /nfs/dbraw/zinc/72/82/47/661728247.db2.gz DNSHQHHOPTXHBO-MRXNPFEDSA-N 0 0 304.434 3.004 20 10 DGCDRN COc1cccc(C[C@@H](C)CC(=O)NCc2ccccc2O)c1 ZINC000934935261 661749887 /nfs/dbraw/zinc/74/98/87/661749887.db2.gz HBBMNYQGFXFHFE-CQSZACIVSA-N 0 0 313.397 3.286 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)c1 ZINC000934939946 661750155 /nfs/dbraw/zinc/75/01/55/661750155.db2.gz FCCRFDCAYBEJMG-LMRQPLJMSA-N 0 0 303.402 3.404 20 10 DGCDRN CC(C)[C@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000935465427 661788241 /nfs/dbraw/zinc/78/82/41/661788241.db2.gz QURHKTZAWHSNHH-YXJHDRRASA-N 0 0 318.461 3.381 20 10 DGCDRN CCOC1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000040689703 661832360 /nfs/dbraw/zinc/83/23/60/661832360.db2.gz QCOIGWVMFJLBON-UHFFFAOYSA-N 0 0 311.809 3.249 20 10 DGCDRN C[C@@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000155675453 661850698 /nfs/dbraw/zinc/85/06/98/661850698.db2.gz SXVONAICEMATHD-MRXNPFEDSA-N 0 0 313.445 3.394 20 10 DGCDRN CCCC(C)(C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000155705387 661851563 /nfs/dbraw/zinc/85/15/63/661851563.db2.gz LUCZZDOPSJZUFY-UHFFFAOYSA-N 0 0 301.434 3.441 20 10 DGCDRN COCCC1(C(=O)NCc2ccc(N(C)C)cc2C)CCCC1 ZINC000156049151 661857437 /nfs/dbraw/zinc/85/74/37/661857437.db2.gz YUSUCZUVBYWFDC-UHFFFAOYSA-N 0 0 318.461 3.274 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(F)c(F)c2)c1 ZINC000157843290 661868781 /nfs/dbraw/zinc/86/87/81/661868781.db2.gz YIBNHXKZPLYCQZ-SECBINFHSA-N 0 0 307.296 3.170 20 10 DGCDRN C[C@H]1CCC[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000047036094 661871172 /nfs/dbraw/zinc/87/11/72/661871172.db2.gz JCXYGTZWFHFQAT-HOCLYGCPSA-N 0 0 303.450 3.473 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCCCCC1 ZINC000046984410 661871197 /nfs/dbraw/zinc/87/11/97/661871197.db2.gz MFDLTZFKNPHVLT-UHFFFAOYSA-N 0 0 301.434 3.372 20 10 DGCDRN O=C(NCc1cccs1)NCc1ccc(N2CCCC2)cc1 ZINC000047687897 661880055 /nfs/dbraw/zinc/88/00/55/661880055.db2.gz YXUPXMXRZXRMRU-UHFFFAOYSA-N 0 0 315.442 3.348 20 10 DGCDRN Cc1cc(O)c(CNc2ccc(N3CCCC3=O)cn2)cc1C ZINC000158959749 661880645 /nfs/dbraw/zinc/88/06/45/661880645.db2.gz PPIBESCLDZEYKR-UHFFFAOYSA-N 0 0 311.385 3.143 20 10 DGCDRN CN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S ZINC000048402522 661889875 /nfs/dbraw/zinc/88/98/75/661889875.db2.gz IRINDVNFYWTQAM-RMKNXTFCSA-N 0 0 301.339 3.119 20 10 DGCDRN CCc1ncsc1C(=O)NCCCSc1nccs1 ZINC000159919913 661897855 /nfs/dbraw/zinc/89/78/55/661897855.db2.gz GWQRFKYILMCSKN-UHFFFAOYSA-N 0 0 313.473 3.074 20 10 DGCDRN CCOC[C@@H]([NH2+]Cc1cccc(Br)c1[O-])C(C)C ZINC000188869102 661950449 /nfs/dbraw/zinc/95/04/49/661950449.db2.gz VUKISLAXCIGOHA-CYBMUJFWSA-N 0 0 316.239 3.305 20 10 DGCDRN CCCN(Cc1nc([C@H](C)OCC)no1)Cc1ccccc1O ZINC000076724902 661995181 /nfs/dbraw/zinc/99/51/81/661995181.db2.gz RMGXAWCLOSYCTO-ZDUSSCGKSA-N 0 0 319.405 3.285 20 10 DGCDRN Cc1cc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)ccc1F ZINC000190961550 662050519 /nfs/dbraw/zinc/05/05/19/662050519.db2.gz XMFIDKQDKMKKHU-LLVKDONJSA-N 0 0 318.348 3.298 20 10 DGCDRN Cc1cc(F)cc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000190979774 662050851 /nfs/dbraw/zinc/05/08/51/662050851.db2.gz XFKXFYPPVLQOSH-LLVKDONJSA-N 0 0 318.348 3.298 20 10 DGCDRN CNC(=O)c1cccc(CN(C)c2ccc(OC(C)C)cc2)c1 ZINC000191593182 662073401 /nfs/dbraw/zinc/07/34/01/662073401.db2.gz ZWHFVIYSBMNTTL-UHFFFAOYSA-N 0 0 312.413 3.470 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2C[C@@H]3CCCC[C@@H]3C2)cc1F ZINC000078917969 662089893 /nfs/dbraw/zinc/08/98/93/662089893.db2.gz ROCWWJRMRAPTMB-GASCZTMLSA-N 0 0 319.424 3.223 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2ncc(C(C)C)s2)c1 ZINC000192394169 662096661 /nfs/dbraw/zinc/09/66/61/662096661.db2.gz KMRHTWPRZRTOOB-UHFFFAOYSA-N 0 0 321.402 3.302 20 10 DGCDRN CC(C)OCc1cccc(NC(=O)c2cccc(O)c2O)c1 ZINC000192990825 662119730 /nfs/dbraw/zinc/11/97/30/662119730.db2.gz AJJAWEHQBPMJCK-UHFFFAOYSA-N 0 0 301.342 3.275 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C[C@H]2CCCOC2)cc1F ZINC000193206110 662126070 /nfs/dbraw/zinc/12/60/70/662126070.db2.gz OSWJTPHMTWLHFT-OAHLLOKOSA-N 0 0 322.424 3.105 20 10 DGCDRN Cc1cc(C(=O)NCCCCCO)c(C)n1-c1ccccc1C ZINC000193263645 662128342 /nfs/dbraw/zinc/12/83/42/662128342.db2.gz UJTZNGFULSSNQD-UHFFFAOYSA-N 0 0 314.429 3.295 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccoc2Br)cc1 ZINC000193318090 662130070 /nfs/dbraw/zinc/13/00/70/662130070.db2.gz HSHZSXURLHKIKU-UHFFFAOYSA-N 0 0 323.190 3.038 20 10 DGCDRN CCOCc1cc(CN[C@@H](COC)c2ccco2)ccc1OC ZINC000080239327 662133834 /nfs/dbraw/zinc/13/38/34/662133834.db2.gz XFSXHEVUELIXKX-INIZCTEOSA-N 0 0 319.401 3.302 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Cc2ccsc2)cc1 ZINC000193749619 662147014 /nfs/dbraw/zinc/14/70/14/662147014.db2.gz BCKXXWRWRWYTDJ-UHFFFAOYSA-N 0 0 302.443 3.453 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3cccc4[nH]ccc43)ccc21 ZINC000081617149 662170558 /nfs/dbraw/zinc/17/05/58/662170558.db2.gz BRIKWGQMHKUZJQ-UHFFFAOYSA-N 0 0 319.408 3.480 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Cc1c(F)cccc1F ZINC000087299400 662224853 /nfs/dbraw/zinc/22/48/53/662224853.db2.gz PWSBTMWLCKULJO-UHFFFAOYSA-N 0 0 318.367 3.198 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CC[C@H](C)CC2)c1 ZINC000247285442 662305904 /nfs/dbraw/zinc/30/59/04/662305904.db2.gz ZQWMXFBUVDHCFO-JHJVBQTASA-N 0 0 306.406 3.340 20 10 DGCDRN FC(F)CN1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000092586453 662332922 /nfs/dbraw/zinc/33/29/22/662332922.db2.gz SHBSYKFQKHLBRE-UHFFFAOYSA-N 0 0 323.431 3.060 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccnc3ccccc32)cc1 ZINC000248150610 662335576 /nfs/dbraw/zinc/33/55/76/662335576.db2.gz XGDAMZHZGXKEIG-UHFFFAOYSA-N 0 0 305.381 3.231 20 10 DGCDRN CCC[C@@H]1CN(Cc2cc(Br)ccc2O)CCO1 ZINC000093508408 662356065 /nfs/dbraw/zinc/35/60/65/662356065.db2.gz GJDZUQVPRQACDP-CYBMUJFWSA-N 0 0 314.223 3.156 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CCOC[C@@H]1C1CC1 ZINC000093645556 662358345 /nfs/dbraw/zinc/35/83/45/662358345.db2.gz YXQJOBRJECUAOD-CYBMUJFWSA-N 0 0 302.201 3.310 20 10 DGCDRN C[C@@H](N1CCN(Cc2cc(Cl)ccc2O)CC1)C(F)(F)F ZINC000093883013 662360936 /nfs/dbraw/zinc/36/09/36/662360936.db2.gz ZQNGFRFNVRDGRJ-SNVBAGLBSA-N 0 0 322.758 3.114 20 10 DGCDRN CC/C=C(/C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000145631397 685087510 /nfs/dbraw/zinc/08/75/10/685087510.db2.gz SZBKSBMBIHSHBO-NUKWSGDCSA-N 0 0 302.418 3.057 20 10 DGCDRN C[C@H]1CN(C(=O)/C=C/c2cncc(F)c2)c2ccc(F)cc2O1 ZINC000173519990 685104693 /nfs/dbraw/zinc/10/46/93/685104693.db2.gz PQFXSKJCVJFPDK-DGXRNCNBSA-N 0 0 316.307 3.187 20 10 DGCDRN CC[C@H](C)[C@H](C[NH2+]Cc1cc(Br)ccc1O)OC ZINC000381108875 685155172 /nfs/dbraw/zinc/15/51/72/685155172.db2.gz BROLTOHIIKVSPT-HZMBPMFUSA-N 0 0 316.239 3.305 20 10 DGCDRN C[C@H](C(=O)N(C)Cc1ccccc1O)c1cccc([N+](=O)[O-])c1 ZINC000383904493 685169216 /nfs/dbraw/zinc/16/92/16/685169216.db2.gz DDIOZXUGLOJYAJ-LBPRGKRZSA-N 0 0 314.341 3.063 20 10 DGCDRN CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(N)cc1 ZINC000385955717 685175770 /nfs/dbraw/zinc/17/57/70/685175770.db2.gz WCHUAEUDIBBASL-NSHDSACASA-N 0 0 301.312 3.464 20 10 DGCDRN COc1ccccc1NC[C@H](O)COCc1ccc(Cl)cc1 ZINC000386773038 685180142 /nfs/dbraw/zinc/18/01/42/685180142.db2.gz HZKNIRJBVDMCKJ-HNNXBMFYSA-N 0 0 321.804 3.338 20 10 DGCDRN Cc1ccc(C(=O)NCCc2ccc(N)cc2)c2ncccc12 ZINC001579663652 1191984975 /nfs/dbraw/zinc/98/49/75/1191984975.db2.gz DNPJTVSDFGQOHP-UHFFFAOYSA-N 0 0 305.381 3.098 20 10 DGCDRN Nc1ccc(CNC(=O)c2nc3ccccc3nc2C2CC2)cc1 ZINC001580445610 1192027216 /nfs/dbraw/zinc/02/72/16/1192027216.db2.gz MDRRPAWLDLREBG-UHFFFAOYSA-N 0 0 318.380 3.019 20 10 DGCDRN Nc1ccc(OC(=O)COc2ccccc2Br)cc1 ZINC001580449852 1192027502 /nfs/dbraw/zinc/02/75/02/1192027502.db2.gz WTUOLOKZJLHJBL-UHFFFAOYSA-N 0 0 322.158 3.016 20 10 DGCDRN Clc1cnc(SCc2ccc(-c3nn[nH]n3)cc2)s1 ZINC001581745539 1192075162 /nfs/dbraw/zinc/07/51/62/1192075162.db2.gz IPMVWJBRJVMKTF-UHFFFAOYSA-N 0 0 309.807 3.269 20 10 DGCDRN CCCCC[C@@H](O)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC001583569832 1192150834 /nfs/dbraw/zinc/15/08/34/1192150834.db2.gz VORXYSBHKRSYKW-QGZVFWFLSA-N 0 0 306.450 3.042 20 10 DGCDRN COc1ccc(/C(C)=C\C(=O)NCc2cc(C)ccc2O)cc1 ZINC001584983089 1192234776 /nfs/dbraw/zinc/23/47/76/1192234776.db2.gz CEUNUBYUYCCQGK-KAMYIIQDSA-N 0 0 311.381 3.429 20 10 DGCDRN Cc1ncccc1/C=C/C(=O)N1CCN(C2CC2)c2ccccc21 ZINC001585771910 1192280446 /nfs/dbraw/zinc/28/04/46/1192280446.db2.gz RFMIHDXZSPBZKT-DHZHZOJOSA-N 0 0 319.408 3.419 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](CF)c1ccc(F)cc1 ZINC001587751760 1192416537 /nfs/dbraw/zinc/41/65/37/1192416537.db2.gz FWVJOUCZEWTDFJ-LPSTVZDBSA-N 0 0 319.307 3.077 20 10 DGCDRN COc1cccc2c(C(=O)N3Cc4cccc(O)c4C3)coc21 ZINC001587932875 1192425543 /nfs/dbraw/zinc/42/55/43/1192425543.db2.gz CBBMRCURWPHTSB-UHFFFAOYSA-N 0 0 309.321 3.303 20 10 DGCDRN C[C@H]1Cc2ccccc2CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001620857489 1192466062 /nfs/dbraw/zinc/46/60/62/1192466062.db2.gz OPDXZQRCKXBTCN-LBPRGKRZSA-N 0 0 322.368 3.436 20 10 DGCDRN Cn1c(=O)oc2c1cccc2NCc1cc(Cl)cc(F)c1O ZINC001620861464 1192472464 /nfs/dbraw/zinc/47/24/64/1192472464.db2.gz AJNVZXLNLJJOCI-UHFFFAOYSA-N 0 0 322.723 3.242 20 10 DGCDRN CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001595332131 1192655347 /nfs/dbraw/zinc/65/53/47/1192655347.db2.gz AKJXNWFPOYOGMX-KGLIPLIRSA-N 0 0 305.418 3.361 20 10 DGCDRN COC1CC(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001596481858 1192694628 /nfs/dbraw/zinc/69/46/28/1192694628.db2.gz IFACLMDRENCPMC-UHFFFAOYSA-N 0 0 312.413 3.135 20 10 DGCDRN Cc1ccc(Cl)c2c1N(C(=O)/C=C\c1cn(C)cn1)CCC2 ZINC001596590688 1192697449 /nfs/dbraw/zinc/69/74/49/1192697449.db2.gz VTIHAXWQVBAMKI-VURMDHGXSA-N 0 0 315.804 3.375 20 10 DGCDRN C/C(=C/C(=O)NCc1c(O)cccc1F)c1ccc(F)cc1 ZINC001596913449 1192711231 /nfs/dbraw/zinc/71/12/31/1192711231.db2.gz YWFLCLSVIDDAPV-LUAWRHEFSA-N 0 0 303.308 3.390 20 10 DGCDRN CN(C)c1cc(NC(=O)c2cccc(O)c2O)ccc1Cl ZINC001596978358 1192714183 /nfs/dbraw/zinc/71/41/83/1192714183.db2.gz NZISBGUQIFIKOX-UHFFFAOYSA-N 0 0 306.749 3.070 20 10 DGCDRN C[C@@H]1C[C@@H]1n1c(CC2CC2)nnc1N(C)Cc1ccccc1O ZINC001708002014 1176501774 /nfs/dbraw/zinc/50/17/74/1176501774.db2.gz ORWHUJXTKXXKFK-DOMZBBRYSA-N 0 0 312.417 3.154 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001597737402 1192744397 /nfs/dbraw/zinc/74/43/97/1192744397.db2.gz WASHWSLVYUSPSW-UHFFFAOYSA-N 0 0 322.320 3.384 20 10 DGCDRN CCc1ncc(C(=O)NCc2c(O)ccc3ccccc32)s1 ZINC001597737559 1192744503 /nfs/dbraw/zinc/74/45/03/1192744503.db2.gz ZPGNEJPUVJDJOP-UHFFFAOYSA-N 0 0 312.394 3.494 20 10 DGCDRN CCN(CC)c1nnc(C)n1CCCSc1nccs1 ZINC001746096771 1177200258 /nfs/dbraw/zinc/20/02/58/1177200258.db2.gz YSMFEUWHAZEINJ-UHFFFAOYSA-N 0 0 311.480 3.072 20 10 DGCDRN Cc1cc([C@@H]([NH2+]Cc2cccc(C)c2O)C(=O)[O-])ccc1F ZINC001600150402 1192795968 /nfs/dbraw/zinc/79/59/68/1192795968.db2.gz SMYBMCNKIDUUEM-OAHLLOKOSA-N 0 0 303.333 3.064 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[N@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001600237220 1192817203 /nfs/dbraw/zinc/81/72/03/1192817203.db2.gz UZAJPAOHRPJNNQ-IBGZPJMESA-N 0 0 324.424 3.245 20 10 DGCDRN Cc1cc(O)c(C[NH2+][C@](C)(C(=O)[O-])c2ccc(F)cc2)cc1C ZINC001600286873 1192826606 /nfs/dbraw/zinc/82/66/06/1192826606.db2.gz YLRWKMYTTWFGAG-SFHVURJKSA-N 0 0 317.360 3.238 20 10 DGCDRN Cc1cc(O)c(C[NH2+][C@@](C)(C(=O)[O-])c2ccc(F)cc2)cc1C ZINC001600286872 1192827380 /nfs/dbraw/zinc/82/73/80/1192827380.db2.gz YLRWKMYTTWFGAG-GOSISDBHSA-N 0 0 317.360 3.238 20 10 DGCDRN CC(=O)c1ccc(NC(=O)C=Cc2ccc(O)c(O)c2)c(F)c1 ZINC001179687613 1177804543 /nfs/dbraw/zinc/80/45/43/1177804543.db2.gz PFFIJMQHHWHQOM-XVNBXDOJSA-N 0 0 315.300 3.091 20 10 DGCDRN CC[C@](C)(O)CC(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001184268342 1177823101 /nfs/dbraw/zinc/82/31/01/1177823101.db2.gz XYELXJLXTBPLEF-HKUYNNGSSA-N 0 0 319.445 3.300 20 10 DGCDRN Cc1ccc(C[NH2+][C@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])c(O)c1 ZINC001600419871 1192850653 /nfs/dbraw/zinc/85/06/53/1192850653.db2.gz QLTGRVVSDVALJB-RHSMWYFYSA-N 0 0 313.397 3.122 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ccc(CCC(N)=O)cc1 ZINC001331382926 1178201683 /nfs/dbraw/zinc/20/16/83/1178201683.db2.gz WHGMRXHFXLDAJV-UHFFFAOYSA-N 0 0 311.429 3.091 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H](C)Cc2ccccc2C)c1 ZINC001331502981 1178228584 /nfs/dbraw/zinc/22/85/84/1178228584.db2.gz GTXSIUOJEGBCSV-HNNXBMFYSA-N 0 0 312.413 3.439 20 10 DGCDRN Cc1cc(CNc2cc(C)nc(CO)n2)c(C)n1-c1ccccc1 ZINC001331552990 1178244785 /nfs/dbraw/zinc/24/47/85/1178244785.db2.gz ATSBRHZPBNHLAA-UHFFFAOYSA-N 0 0 322.412 3.297 20 10 DGCDRN Cc1cccc(OCC[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)c1 ZINC001600546270 1192872155 /nfs/dbraw/zinc/87/21/55/1192872155.db2.gz DHFBXZLTEOLGQI-ZDUSSCGKSA-N 0 0 315.369 3.128 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CCC[C@@H](F)C1 ZINC001332092148 1178357001 /nfs/dbraw/zinc/35/70/01/1178357001.db2.gz ACULDVWVHOTSTP-KGLIPLIRSA-N 0 0 320.408 3.351 20 10 DGCDRN c1cnc([C@H](NCc2ccc(N3CCCC3)cc2)C2CC2)nc1 ZINC001332353945 1178426966 /nfs/dbraw/zinc/42/69/66/1178426966.db2.gz VIQAHGHUFODCQS-GOSISDBHSA-N 0 0 308.429 3.318 20 10 DGCDRN Cc1csc([C@@H](C)[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)n1 ZINC001600654039 1192889031 /nfs/dbraw/zinc/88/90/31/1192889031.db2.gz DAGFMZSXJYAIJA-NXEZZACHSA-N 0 0 306.387 3.267 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OC[C@@H]1CCC2(CCC2)CO1 ZINC001333882687 1178689822 /nfs/dbraw/zinc/68/98/22/1178689822.db2.gz FMBRTRWNOFVMOJ-KQIUPUNMSA-N 0 0 318.369 3.004 20 10 DGCDRN COc1ccc(NCc2cc(F)c(N(C)C)cc2F)cc1CO ZINC001334890085 1178823076 /nfs/dbraw/zinc/82/30/76/1178823076.db2.gz FDZNXRXXYJFWRT-UHFFFAOYSA-N 0 0 322.355 3.144 20 10 DGCDRN CC1(C)CCC[C@](O)(C[NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC001621031097 1192915415 /nfs/dbraw/zinc/91/54/15/1192915415.db2.gz FENUCBARXTXFRD-QGZVFWFLSA-N 0 0 313.388 3.481 20 10 DGCDRN Cc1[nH]c2ccccc2c1C1=CCN(c2cnc(CO)cn2)CC1 ZINC001335466263 1178914934 /nfs/dbraw/zinc/91/49/34/1178914934.db2.gz OJHRKCAZCJZSMZ-UHFFFAOYSA-N 0 0 320.396 3.052 20 10 DGCDRN CON(C[C@H]1CCC[C@H](C)C1)C(=O)NCc1ccc(N)cc1 ZINC001335737008 1178946762 /nfs/dbraw/zinc/94/67/62/1178946762.db2.gz JJDFKWWZAHTEGK-ZFWWWQNUSA-N 0 0 305.422 3.168 20 10 DGCDRN Nc1ccc(CNC(=O)N2CCSC3(CCCCC3)C2)cc1 ZINC001335738161 1178947296 /nfs/dbraw/zinc/94/72/96/1178947296.db2.gz WTBQHCFFUXEMIQ-UHFFFAOYSA-N 0 0 319.474 3.230 20 10 DGCDRN Cc1ccc(/C=C\C(=O)N(C)c2cccc3c2CCCN3)cn1 ZINC001335942331 1178973528 /nfs/dbraw/zinc/97/35/28/1178973528.db2.gz YPUKEWRMDKIKQX-KHPPLWFESA-N 0 0 307.397 3.424 20 10 DGCDRN C[C@@H](NC(=O)NC[C@@H]1OCc2ccccc21)c1ccccc1O ZINC001343373924 1179262978 /nfs/dbraw/zinc/26/29/78/1179262978.db2.gz OBJODBFWIXSVES-PXAZEXFGSA-N 0 0 312.369 3.024 20 10 DGCDRN COc1ccc(N(Cc2cn(C(C)C)nn2)C(C)C)cc1F ZINC001343790355 1179333331 /nfs/dbraw/zinc/33/33/31/1179333331.db2.gz PINAVQWKJJGWQF-UHFFFAOYSA-N 0 0 306.385 3.422 20 10 DGCDRN O=C([O-])C[N@H+](Cc1cc(Cl)ccc1O)C[C@H]1CC=CCC1 ZINC001602056951 1192957300 /nfs/dbraw/zinc/95/73/00/1192957300.db2.gz FAQZICMYAKFJFF-LBPRGKRZSA-N 0 0 309.793 3.289 20 10 DGCDRN COC(=O)c1cnc2[nH]c(-c3ccc(N4CCCC4)cc3)nc2c1 ZINC001345247614 1179547921 /nfs/dbraw/zinc/54/79/21/1179547921.db2.gz SZZAGJOJEPEJHK-UHFFFAOYSA-N 0 0 322.368 3.012 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1nccnc1C ZINC001345958154 1179630037 /nfs/dbraw/zinc/63/00/37/1179630037.db2.gz ORKFHXIPQXDYQH-UHFFFAOYSA-N 0 0 314.389 3.325 20 10 DGCDRN CC(C)(C(=O)NCc1c(O)ccc2c1CCCC2)C(F)(F)F ZINC001346450000 1179703217 /nfs/dbraw/zinc/70/32/17/1179703217.db2.gz ITCZOKFDXMCIRW-UHFFFAOYSA-N 0 0 315.335 3.476 20 10 DGCDRN CC[C@@H]1C[C@H](CC(=O)Nc2c3nonc3ccc2Cl)CCO1 ZINC001346941738 1179763422 /nfs/dbraw/zinc/76/34/22/1179763422.db2.gz YAWVNLYWUKKEQD-NXEZZACHSA-N 0 0 323.780 3.410 20 10 DGCDRN Cc1ncc(/C=C/C(=O)N(C)c2cccc3c2CCCN3)s1 ZINC001347050092 1179771531 /nfs/dbraw/zinc/77/15/31/1179771531.db2.gz NAHLFMCMZYOYAI-CMDGGOBGSA-N 0 0 313.426 3.486 20 10 DGCDRN Cc1ccc(C2(C(=O)NCc3cccc(O)c3O)CCC2)cc1 ZINC001347232766 1179785827 /nfs/dbraw/zinc/78/58/27/1179785827.db2.gz BJLCOINFBRKTSN-UHFFFAOYSA-N 0 0 311.381 3.144 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Cc2ccc3cccnc3c2)cc1 ZINC001348910137 1179850090 /nfs/dbraw/zinc/85/00/90/1179850090.db2.gz LXNGJAWPTHTPTQ-UHFFFAOYSA-N 0 0 319.408 3.160 20 10 DGCDRN Cc1cc(O)ccc1CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC001350891651 1180138383 /nfs/dbraw/zinc/13/83/83/1180138383.db2.gz AIYJWRGYGSFRMR-UHFFFAOYSA-N 0 0 324.424 3.160 20 10 DGCDRN CCOCC1(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CC1 ZINC001351163124 1180181653 /nfs/dbraw/zinc/18/16/53/1180181653.db2.gz MOSHUZDODISOAQ-UHFFFAOYSA-N 0 0 316.445 3.062 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccsc2)cc1F ZINC001351361149 1180204636 /nfs/dbraw/zinc/20/46/36/1180204636.db2.gz HYHLIBWSMMPQLT-UONOGXRCSA-N 0 0 318.417 3.373 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc(CF)cc2)cc1F ZINC001351739191 1180242932 /nfs/dbraw/zinc/24/29/32/1180242932.db2.gz WUSBWYNOSGNKDU-UHFFFAOYSA-N 0 0 304.340 3.291 20 10 DGCDRN CN(C)c1cc(F)c(CNc2cnn(C)c2C2CC2)cc1F ZINC001351767308 1180246263 /nfs/dbraw/zinc/24/62/63/1180246263.db2.gz JOKVIBAACQSEFS-UHFFFAOYSA-N 0 0 306.360 3.254 20 10 DGCDRN C[C@H]1CSCCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001351855696 1180256455 /nfs/dbraw/zinc/25/64/55/1180256455.db2.gz AWSWRSGHIOYLFI-VIFPVBQESA-N 0 0 323.439 3.280 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@]12C[C@H]1CCCC2 ZINC001352565415 1180362568 /nfs/dbraw/zinc/36/25/68/1180362568.db2.gz POXIGCPVZDXOKM-VQIMIIECSA-N 0 0 311.429 3.195 20 10 DGCDRN C/C(=C\C(=O)N1CCCc2cc(F)c(F)cc21)c1cnccn1 ZINC001352650643 1180375483 /nfs/dbraw/zinc/37/54/83/1180375483.db2.gz OVVQOOPYLPBDSK-YRNVUSSQSA-N 0 0 315.323 3.138 20 10 DGCDRN Nc1ccc(CNC(=O)NC2CCC(C3CCC3)CC2)cc1 ZINC001353441558 1180559772 /nfs/dbraw/zinc/55/97/72/1180559772.db2.gz HHZNWGKEXWLBOV-UHFFFAOYSA-N 0 0 301.434 3.427 20 10 DGCDRN Nc1ccc(CNC(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC001353538865 1180583755 /nfs/dbraw/zinc/58/37/55/1180583755.db2.gz DZHSKLSARKIXAE-QGZVFWFLSA-N 0 0 313.376 3.455 20 10 DGCDRN CC[C@H](C)NC(=S)Nc1ccccc1C(=O)c1ccncc1 ZINC001200498142 1180684274 /nfs/dbraw/zinc/68/42/74/1180684274.db2.gz YQTFCTRBCOCKJG-LBPRGKRZSA-N 0 0 313.426 3.398 20 10 DGCDRN Oc1cccc2c1CN(C(=S)Nc1ccc(F)c(F)c1)CC2 ZINC001200689543 1180823860 /nfs/dbraw/zinc/82/38/60/1180823860.db2.gz CKJYALYZFIYTDZ-UHFFFAOYSA-N 0 0 320.364 3.426 20 10 DGCDRN S=C(NCc1cccc(Br)n1)Nc1ccccc1 ZINC001200841849 1180961325 /nfs/dbraw/zinc/96/13/25/1180961325.db2.gz GVOSMKBUMWCTMQ-UHFFFAOYSA-N 0 0 322.231 3.331 20 10 DGCDRN COC(=O)c1nc(N[C@@H](C)c2ccc(N(C)C)cc2)ccc1C ZINC001355275110 1181025711 /nfs/dbraw/zinc/02/57/11/1181025711.db2.gz RUJVAJFJBXOQSW-ZDUSSCGKSA-N 0 0 313.401 3.416 20 10 DGCDRN O=C(CCCF)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001355508983 1181064544 /nfs/dbraw/zinc/06/45/44/1181064544.db2.gz PQAKVHNOBOCJIE-UHFFFAOYSA-N 0 0 311.312 3.150 20 10 DGCDRN C/C(=C/c1cccnc1)C(=O)N(CC(F)(F)F)c1ccccn1 ZINC001356138520 1181147056 /nfs/dbraw/zinc/14/70/56/1181147056.db2.gz JRNVCNINJWSQJW-XFXZXTDPSA-N 0 0 321.302 3.475 20 10 DGCDRN Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCc1ccc(N)cc1 ZINC001357791427 1181428235 /nfs/dbraw/zinc/42/82/35/1181428235.db2.gz MBDFDIWWQHNIIP-CYBMUJFWSA-N 0 0 315.392 3.147 20 10 DGCDRN Cc1cccc([C@@H]2CCN(C(=O)NCc3ccc(N)cc3)C2)c1 ZINC001357791381 1181428431 /nfs/dbraw/zinc/42/84/31/1181428431.db2.gz LDJSSNSBFCNGSD-QGZVFWFLSA-N 0 0 309.413 3.276 20 10 DGCDRN Cn1cnc(/C=C\C(=O)N2CCCc3c(Cl)ccc(F)c32)c1 ZINC001359922156 1181611646 /nfs/dbraw/zinc/61/16/46/1181611646.db2.gz JSNJVGPFGOCZMG-DAXSKMNVSA-N 0 0 319.767 3.205 20 10 DGCDRN CO[C@H](C(=O)NCc1ccc(N(C)C)cc1C)C1CCCCC1 ZINC001360273208 1181618440 /nfs/dbraw/zinc/61/84/40/1181618440.db2.gz GVEGSARFLOOBEV-SFHVURJKSA-N 0 0 318.461 3.273 20 10 DGCDRN Cc1ccnc(N)c1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC001560871955 1181696689 /nfs/dbraw/zinc/69/66/89/1181696689.db2.gz XJNHMFIREWOOSE-UHFFFAOYSA-N 0 0 312.200 3.274 20 10 DGCDRN O=C(/C=C/c1cccnc1)N1CCCc2c(F)c(F)cc(F)c21 ZINC001436678388 1181905437 /nfs/dbraw/zinc/90/54/37/1181905437.db2.gz DZMUKSQIQHHTEF-AATRIKPKSA-N 0 0 318.298 3.492 20 10 DGCDRN CCCOc1cc(C)ccc1CNC(=O)C1=CC(=O)CS1 ZINC001445514916 1182148661 /nfs/dbraw/zinc/14/86/61/1182148661.db2.gz FCDCGDDCYXOKAK-UHFFFAOYSA-N 0 0 305.399 3.481 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(Cl)nc2F)c1 ZINC001445968690 1182158418 /nfs/dbraw/zinc/15/84/18/1182158418.db2.gz MWEYCJAJBFHCRA-MRVPVSSYSA-N 0 0 324.739 3.079 20 10 DGCDRN COc1ccc2c(c1)CN(C(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001452384586 1182286405 /nfs/dbraw/zinc/28/64/05/1182286405.db2.gz SBVFDZWGKMTDJF-UHFFFAOYSA-N 0 0 324.340 3.014 20 10 DGCDRN Cc1ccccc1COCC(=O)NCc1cc(Cl)ccc1O ZINC001452934747 1182305371 /nfs/dbraw/zinc/30/53/71/1182305371.db2.gz DKKLTLGKJQJWDK-UHFFFAOYSA-N 0 0 319.788 3.187 20 10 DGCDRN Cc1onc(-c2cccnc2)c1C(=O)N(C)c1ccc(O)c(C)c1 ZINC001454635901 1182348957 /nfs/dbraw/zinc/34/89/57/1182348957.db2.gz CRXILTJUVOYXMJ-UHFFFAOYSA-N 0 0 323.352 3.336 20 10 DGCDRN C[C@H](NC(=O)c1ccc2c(C=O)c[nH]c2c1)c1ccccc1O ZINC001454820976 1182353407 /nfs/dbraw/zinc/35/34/07/1182353407.db2.gz URSKFFSLQGCVRJ-NSHDSACASA-N 0 0 308.337 3.177 20 10 DGCDRN Cc1ccc(C(=O)N2CC([C@@H]3CCC[C@@H](C)C3)C2)c(O)c1O ZINC001455012252 1182357701 /nfs/dbraw/zinc/35/77/01/1182357701.db2.gz YONIHULFEWGVLE-DGCLKSJQSA-N 0 0 303.402 3.305 20 10 DGCDRN O=C(c1cccc(-c2cnco2)c1)N1Cc2cccc(O)c2C1 ZINC001455036718 1182358774 /nfs/dbraw/zinc/35/87/74/1182358774.db2.gz JMENTHNHRSBNNU-UHFFFAOYSA-N 0 0 306.321 3.203 20 10 DGCDRN O=C(Cc1cccc2cccnc21)N1Cc2cccc(O)c2C1 ZINC001455036587 1182358888 /nfs/dbraw/zinc/35/88/88/1182358888.db2.gz HPJGYMJZCCKZNT-UHFFFAOYSA-N 0 0 304.349 3.025 20 10 DGCDRN O=C(c1ccc(-c2cnco2)cc1)N1Cc2cccc(O)c2C1 ZINC001455036278 1182359172 /nfs/dbraw/zinc/35/91/72/1182359172.db2.gz FWQVRTYURFOGEX-UHFFFAOYSA-N 0 0 306.321 3.203 20 10 DGCDRN C[C@H](C(=O)NCc1cccc(O)c1O)c1cn(C)c2ccccc12 ZINC001455314755 1182366628 /nfs/dbraw/zinc/36/66/28/1182366628.db2.gz JAQGQWWCHOKKJX-LBPRGKRZSA-N 0 0 324.380 3.009 20 10 DGCDRN O=C(NCC[C@@H]1CC[C@@H]2C[C@@H]21)c1cc2cc(O)c(O)cc2s1 ZINC001455845375 1182386525 /nfs/dbraw/zinc/38/65/25/1182386525.db2.gz AFJCYCSINDXFFG-HOSYDEDBSA-N 0 0 317.410 3.479 20 10 DGCDRN CCSc1ccccc1C(=O)NCc1c(O)cccc1O ZINC001456234260 1182407648 /nfs/dbraw/zinc/40/76/48/1182407648.db2.gz INCLTXWKJPPFPE-UHFFFAOYSA-N 0 0 303.383 3.140 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cccc2c1OCC2 ZINC001456307822 1182409842 /nfs/dbraw/zinc/40/98/42/1182409842.db2.gz FGXYWLWSYYWTGN-UHFFFAOYSA-N 0 0 319.360 3.410 20 10 DGCDRN CCOc1cc(N(CC)Cc2ccc(N(C)C)cc2)nc(C)n1 ZINC001458249520 1182508804 /nfs/dbraw/zinc/50/88/04/1182508804.db2.gz WVVHEXWGDQNJTF-UHFFFAOYSA-N 0 0 314.433 3.276 20 10 DGCDRN CCOc1cccc(C[N@H+](C)[C@@H](C(=O)[O-])c2ccccc2)c1O ZINC001605705467 1193166305 /nfs/dbraw/zinc/16/63/05/1193166305.db2.gz WJODMVNQJXRMFD-MRXNPFEDSA-N 0 0 315.369 3.049 20 10 DGCDRN COc1ccc(-c2nccc(NCc3cc(C)ccc3O)n2)cc1 ZINC001458499613 1182532697 /nfs/dbraw/zinc/53/26/97/1182532697.db2.gz VYMBLTIUWAPEMP-UHFFFAOYSA-N 0 0 321.380 3.200 20 10 DGCDRN Oc1cccc2c1CN(c1ccnc(Cc3ccccc3)n1)C2 ZINC001458543876 1182537950 /nfs/dbraw/zinc/53/79/50/1182537950.db2.gz KRQUEIRUGZGJPH-UHFFFAOYSA-N 0 0 303.365 3.293 20 10 DGCDRN Oc1ccc(O)c(CNc2ncc(Br)cc2F)c1 ZINC001458572567 1182541366 /nfs/dbraw/zinc/54/13/66/1182541366.db2.gz PZNJEYFJNMYEHJ-UHFFFAOYSA-N 0 0 313.126 3.007 20 10 DGCDRN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC1CSC1 ZINC001458626647 1182545699 /nfs/dbraw/zinc/54/56/99/1182545699.db2.gz SRCWHZCOPOFETK-UHFFFAOYSA-N 0 0 314.366 3.353 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C\c2cnc3ccccc3n2)cc1 ZINC001461355284 1182798869 /nfs/dbraw/zinc/79/88/69/1182798869.db2.gz NJLDHSNHOVZKFY-GHXNOFRVSA-N 0 0 319.364 3.315 20 10 DGCDRN COc1cccc2[nH]c(NCc3cc(F)cc(F)c3O)nc21 ZINC001461730013 1182847942 /nfs/dbraw/zinc/84/79/42/1182847942.db2.gz UQQYWQSAXNFWKH-UHFFFAOYSA-N 0 0 305.284 3.167 20 10 DGCDRN Cc1[nH]nnc1NCc1ccc(N(C)Cc2cccs2)cc1 ZINC001461781332 1182854191 /nfs/dbraw/zinc/85/41/91/1182854191.db2.gz VKAPPSBAWYCEBE-UHFFFAOYSA-N 0 0 313.430 3.423 20 10 DGCDRN [O-]c1c(F)cc(F)cc1CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC001461866866 1182868037 /nfs/dbraw/zinc/86/80/37/1182868037.db2.gz CDJIRAOSXVIHAF-HNNXBMFYSA-N 0 0 310.388 3.121 20 10 DGCDRN COC(=O)c1cccc(NCc2c(C)cc(OC)cc2O)c1 ZINC001461883303 1182869873 /nfs/dbraw/zinc/86/98/73/1182869873.db2.gz URMYHTYZTQIYLY-UHFFFAOYSA-N 0 0 301.342 3.108 20 10 DGCDRN CC[N@@H+]1C[C@H](C)N(Cc2cc(Cl)c(F)cc2[O-])C[C@H]1C ZINC001461936686 1182881092 /nfs/dbraw/zinc/88/10/92/1182881092.db2.gz KDQJLQLMOZYVBQ-MNOVXSKESA-N 0 0 300.805 3.099 20 10 DGCDRN Oc1cc(Cl)ccc1CN1CCN2CCOc3cccc1c32 ZINC001462071855 1182905148 /nfs/dbraw/zinc/90/51/48/1182905148.db2.gz ZYKJNPLDUPSKCY-UHFFFAOYSA-N 0 0 316.788 3.265 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1CCC[C@@H]1C(=O)OC(C)(C)C ZINC001462093577 1182906987 /nfs/dbraw/zinc/90/69/87/1182906987.db2.gz HYYWNLNHYKUABF-QGZVFWFLSA-N 0 0 318.461 3.367 20 10 DGCDRN CC(C)c1ccc(O)c(CN[C@@H](C)C(=O)OC2CCCC2)c1 ZINC001462122471 1182911789 /nfs/dbraw/zinc/91/17/89/1182911789.db2.gz DGXWHRPYXSXBDJ-ZDUSSCGKSA-N 0 0 305.418 3.480 20 10 DGCDRN Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2cc(F)c(F)cc2[O-])c1 ZINC001462139848 1182914420 /nfs/dbraw/zinc/91/44/20/1182914420.db2.gz ZJSNBJNCKGWGGE-KRWDZBQOSA-N 0 0 307.340 3.110 20 10 DGCDRN Cc1ccc(CN2C[C@H](C)C(=O)N(C)c3ccccc32)c(O)c1 ZINC001462302358 1182936827 /nfs/dbraw/zinc/93/68/27/1182936827.db2.gz DFVXOVFUQJUKSM-AWEZNQCLSA-N 0 0 310.397 3.320 20 10 DGCDRN CCOc1ccc(NCc2cc(C)cc(OC)c2O)nc1C ZINC001462456264 1182954755 /nfs/dbraw/zinc/95/47/55/1182954755.db2.gz ABBYVGCKCWVRJF-UHFFFAOYSA-N 0 0 302.374 3.423 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC001462459716 1182955099 /nfs/dbraw/zinc/95/50/99/1182955099.db2.gz CJVYXSALWONJHQ-UHFFFAOYSA-N 0 0 309.356 3.061 20 10 DGCDRN CCOc1ccc(CC[NH2+]Cc2cc(F)c(F)cc2[O-])cc1 ZINC001462648209 1182979349 /nfs/dbraw/zinc/97/93/49/1182979349.db2.gz SMOZEVJILFFQST-UHFFFAOYSA-N 0 0 307.340 3.401 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Cc2ccncc2C)cc1 ZINC001464297902 1183083126 /nfs/dbraw/zinc/08/31/26/1183083126.db2.gz MVQUBSGRTYQPAH-UHFFFAOYSA-N 0 0 311.429 3.095 20 10 DGCDRN CN(c1ccc(CNC(=O)[C@@H]2C[C@@H]2F)cc1)C1CCCCC1 ZINC001464544275 1183098947 /nfs/dbraw/zinc/09/89/47/1183098947.db2.gz XIBPVAZTUURLPN-SJORKVTESA-N 0 0 304.409 3.430 20 10 DGCDRN C[C@H](NC(=O)C1=CC(=O)CS1)c1cccc(-n2cccn2)c1 ZINC001465446458 1183149911 /nfs/dbraw/zinc/14/99/11/1183149911.db2.gz IJSGCEWPAVJBDA-NSHDSACASA-N 0 0 313.382 3.130 20 10 DGCDRN CCN(C(=O)C1=CC(=O)CS1)[C@H](COC)Cc1ccccc1 ZINC001465687560 1183164043 /nfs/dbraw/zinc/16/40/43/1183164043.db2.gz VXDNTSJQYQLHIB-AWEZNQCLSA-N 0 0 319.426 3.174 20 10 DGCDRN O=C(/C=C/c1ccc(Cl)nc1)NCc1cccc(Cl)c1O ZINC001606868390 1193206197 /nfs/dbraw/zinc/20/61/97/1193206197.db2.gz NYSRASZWKQUOLR-FNORWQNLSA-N 0 0 323.179 3.424 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1nn(CC)cc1Cl ZINC001465845443 1183172759 /nfs/dbraw/zinc/17/27/59/1183172759.db2.gz BDZKERXVQUNYOB-UHFFFAOYSA-N 0 0 321.808 3.314 20 10 DGCDRN C[C@@H](Sc1ccc(F)cc1)C(=O)NCc1ccc(O)c(O)c1 ZINC001465953297 1183178868 /nfs/dbraw/zinc/17/88/68/1183178868.db2.gz DZBCUAJQIPZMFL-SNVBAGLBSA-N 0 0 321.373 3.034 20 10 DGCDRN COc1cccc(CNC(=O)c2cc3c(cccc3C)o2)c1O ZINC001465991696 1183182150 /nfs/dbraw/zinc/18/21/50/1183182150.db2.gz DRUWZBLYZMZXBO-UHFFFAOYSA-N 0 0 311.337 3.385 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CCCC3(CC3)C2)cc1F ZINC001468353684 1183327378 /nfs/dbraw/zinc/32/73/78/1183327378.db2.gz BCCUJQRHKGJHNL-CQSZACIVSA-N 0 0 319.424 3.414 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001468742716 1183354898 /nfs/dbraw/zinc/35/48/98/1183354898.db2.gz ARAILJRUAVZOPY-JCGIZDLHSA-N 0 0 315.461 3.439 20 10 DGCDRN CCON(CC1CCCCC1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001468868659 1183364457 /nfs/dbraw/zinc/36/44/57/1183364457.db2.gz GGFNCKXLTTYEDI-LUAWRHEFSA-N 0 0 319.401 3.471 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)C1(c2cccc(Cl)c2)CC1 ZINC001469159744 1183387222 /nfs/dbraw/zinc/38/72/22/1183387222.db2.gz MRFGULSWGLZEKJ-UHFFFAOYSA-N 0 0 317.772 3.099 20 10 DGCDRN C[C@H](CC(=O)NCc1ccc(O)cc1O)c1c[nH]c2ccccc21 ZINC001469160812 1183387506 /nfs/dbraw/zinc/38/75/06/1183387506.db2.gz UGRQQMIHNJTWIG-GFCCVEGCSA-N 0 0 324.380 3.389 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1cccc2c1CCC2 ZINC001469873723 1183443799 /nfs/dbraw/zinc/44/37/99/1183443799.db2.gz FLPSMIBFGSIMPU-UHFFFAOYSA-N 0 0 301.773 3.464 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC/C=C\CO)c1 ZINC001469971135 1183451895 /nfs/dbraw/zinc/45/18/95/1183451895.db2.gz DPPLZNJMCCYDII-ARJAWSKDSA-N 0 0 318.804 3.026 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1C[C@H](C)O[C@H]1C ZINC001471111778 1183538947 /nfs/dbraw/zinc/53/89/47/1183538947.db2.gz FEHWVBFCNPEAKQ-MELADBBJSA-N 0 0 318.442 3.451 20 10 DGCDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)c1ccccc1O ZINC001471194608 1183545253 /nfs/dbraw/zinc/54/52/53/1183545253.db2.gz MCJDMFZQZJNXSE-VIFPVBQESA-N 0 0 320.732 3.445 20 10 DGCDRN C[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1O ZINC001471195293 1183545340 /nfs/dbraw/zinc/54/53/40/1183545340.db2.gz VQMLWHFNAGIUEW-VIFPVBQESA-N 0 0 320.732 3.445 20 10 DGCDRN C[C@@H](NC(=O)NCc1ncc(Cl)s1)c1ccccc1O ZINC001471242417 1183549855 /nfs/dbraw/zinc/54/98/55/1183549855.db2.gz YKBGLOVQPQDPJN-MRVPVSSYSA-N 0 0 311.794 3.063 20 10 DGCDRN O=C(c1ncc(Cc2ccccc2)o1)N1Cc2cccc(O)c2C1 ZINC001471355698 1183558839 /nfs/dbraw/zinc/55/88/39/1183558839.db2.gz RJOSUSOAHGEOKK-UHFFFAOYSA-N 0 0 320.348 3.127 20 10 DGCDRN C[C@@H](Cc1ccccc1Cl)C(=O)NCc1cccc(O)c1O ZINC001471642010 1183580268 /nfs/dbraw/zinc/58/02/68/1183580268.db2.gz FVYNPHVKSWVQLL-NSHDSACASA-N 0 0 319.788 3.246 20 10 DGCDRN CCn1cc(C(=O)NCc2cccc(O)c2O)c2ccccc21 ZINC001471643275 1183580555 /nfs/dbraw/zinc/58/05/55/1183580555.db2.gz GVSCJYCXUZTWHV-UHFFFAOYSA-N 0 0 310.353 3.002 20 10 DGCDRN C[C@@]1(C(=O)NCc2c(O)cccc2F)CCc2ccccc2C1 ZINC001471975824 1183604375 /nfs/dbraw/zinc/60/43/75/1183604375.db2.gz ISGSCAAHPJGAPY-LJQANCHMSA-N 0 0 313.372 3.343 20 10 DGCDRN CCOc1ccc(C(=O)NCc2c(O)ccc3ccccc32)cn1 ZINC001472086068 1183614091 /nfs/dbraw/zinc/61/40/91/1183614091.db2.gz KMJTTXAQQAKSBX-UHFFFAOYSA-N 0 0 322.364 3.269 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1ccnc(F)c1F ZINC001472085381 1183614308 /nfs/dbraw/zinc/61/43/08/1183614308.db2.gz RPEIXFIKUYDLQF-UHFFFAOYSA-N 0 0 314.291 3.149 20 10 DGCDRN CC(C)(C)n1cc(C(=O)NCc2c(O)ccc3ccccc32)cn1 ZINC001472086107 1183614522 /nfs/dbraw/zinc/61/45/22/1183614522.db2.gz MASIFEDBFGHPOX-UHFFFAOYSA-N 0 0 323.396 3.427 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC001472163087 1183622495 /nfs/dbraw/zinc/62/24/95/1183622495.db2.gz LKFJGWQWWPYHSX-SYJIQKIWSA-N 0 0 323.392 3.345 20 10 DGCDRN Cc1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)c(C)cc1O ZINC001472553492 1183652279 /nfs/dbraw/zinc/65/22/79/1183652279.db2.gz CRESBBSQDDKHOK-UHFFFAOYSA-N 0 0 312.329 3.424 20 10 DGCDRN COc1cc(C)nc(N(C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001472649146 1183660606 /nfs/dbraw/zinc/66/06/06/1183660606.db2.gz TUFWHHDLKQFBPR-UHFFFAOYSA-N 0 0 312.417 3.030 20 10 DGCDRN COC(=O)c1cnc(Sc2ncnc3scc(C)c32)s1 ZINC001472791605 1183682056 /nfs/dbraw/zinc/68/20/56/1183682056.db2.gz QJNDJTRHCVUCHR-UHFFFAOYSA-N 0 0 323.424 3.394 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1cc(Cl)nc(N)n1 ZINC001472808551 1183684508 /nfs/dbraw/zinc/68/45/08/1183684508.db2.gz VLUIQNUHYRZFHF-LLVKDONJSA-N 0 0 319.840 3.130 20 10 DGCDRN CCn1c2ccccc2nc(N[C@H](C)c2ccccc2O)c1=O ZINC001472856175 1183691236 /nfs/dbraw/zinc/69/12/36/1183691236.db2.gz MLADSVGKJMKYKM-GFCCVEGCSA-N 0 0 309.369 3.295 20 10 DGCDRN Cc1cc(N2Cc3cccc(O)c3C2)nc(-c2ccccn2)n1 ZINC001472860305 1183691350 /nfs/dbraw/zinc/69/13/50/1183691350.db2.gz YVJGSYUBUJPFQF-UHFFFAOYSA-N 0 0 304.353 3.073 20 10 DGCDRN COC(=O)[C@H](N[C@@H](C)c1ccccc1O)c1ccc(F)cc1 ZINC001473723967 1183792876 /nfs/dbraw/zinc/79/28/76/1183792876.db2.gz NXZAQJVCMSIDEY-MEDUHNTESA-N 0 0 303.333 3.096 20 10 DGCDRN COC(=O)[C@@H](N[C@@H](C)c1ccccc1O)c1ccc(F)cc1 ZINC001473723968 1183793495 /nfs/dbraw/zinc/79/34/95/1183793495.db2.gz NXZAQJVCMSIDEY-ZBEGNZNMSA-N 0 0 303.333 3.096 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccc(NC(N)=O)cc1 ZINC001473996496 1183847347 /nfs/dbraw/zinc/84/73/47/1183847347.db2.gz VUYGBCFUWWQUOR-SECBINFHSA-N 0 0 321.327 3.012 20 10 DGCDRN CN(C)c1ccc(/C=C/CNc2ccc3c(c2)nnn3C)cc1 ZINC001474190628 1183880345 /nfs/dbraw/zinc/88/03/45/1183880345.db2.gz XUHCATCBFJJVBP-SNAWJCMRSA-N 0 0 307.401 3.160 20 10 DGCDRN C[C@@H](c1ccccc1)[N@H+](CCO)Cc1ccc(F)c(F)c1[O-] ZINC001474335846 1183906218 /nfs/dbraw/zinc/90/62/18/1183906218.db2.gz JIOLYHJLDNSBSB-LBPRGKRZSA-N 0 0 307.340 3.226 20 10 DGCDRN COc1ccc(CN2CCOc3cc(N(C)C)ccc32)c(C)c1 ZINC001474422552 1183919769 /nfs/dbraw/zinc/91/97/69/1183919769.db2.gz LYFJZSKLWNXLBB-UHFFFAOYSA-N 0 0 312.413 3.469 20 10 DGCDRN COC(=O)Cc1cccc(NCc2cccc(Cl)c2O)c1 ZINC001474434304 1183920694 /nfs/dbraw/zinc/92/06/94/1183920694.db2.gz VFPYHNODHZBPJC-UHFFFAOYSA-N 0 0 305.761 3.373 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]CCc1ccc2c(c1)CCO2 ZINC001474441438 1183922265 /nfs/dbraw/zinc/92/22/65/1183922265.db2.gz OHUORIFSEQRPOP-UHFFFAOYSA-N 0 0 303.789 3.313 20 10 DGCDRN COc1ccc2c(c1)N(Cc1cc(F)c(F)cc1O)C[C@H](C)O2 ZINC001474467219 1183926739 /nfs/dbraw/zinc/92/67/39/1183926739.db2.gz RSMKGPLGSWPGDK-JTQLQIEISA-N 0 0 321.323 3.467 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1C[C@H](C)NC(=O)c2ccccc21 ZINC001474556268 1183939356 /nfs/dbraw/zinc/93/93/56/1183939356.db2.gz FJQGFFTYLQTSIW-HNNXBMFYSA-N 0 0 323.440 3.200 20 10 DGCDRN COC(=O)[C@](C)(NCc1ccc(Cl)cc1O)c1ccccc1 ZINC001474657010 1183957425 /nfs/dbraw/zinc/95/74/25/1183957425.db2.gz PPAQMMMSSYQUCU-QGZVFWFLSA-N 0 0 319.788 3.224 20 10 DGCDRN CC1(C)CCC[C@](O)(C[NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC001474663454 1183958644 /nfs/dbraw/zinc/95/86/44/1183958644.db2.gz KCEUPWAFJTVEGA-QGZVFWFLSA-N 0 0 313.388 3.481 20 10 DGCDRN COCCOC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001475566874 1184009895 /nfs/dbraw/zinc/00/98/95/1184009895.db2.gz MXFZONPGVUZPOY-UHFFFAOYSA-N 0 0 316.401 3.275 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H](C)C(F)F)cc1F ZINC001477036673 1184064057 /nfs/dbraw/zinc/06/40/57/1184064057.db2.gz VKNHTJJYGUIWSZ-SNVBAGLBSA-N 0 0 317.355 3.125 20 10 DGCDRN O=C(NCc1ccccc1Cl)N1Cc2cccc(O)c2C1 ZINC001477266363 1184077606 /nfs/dbraw/zinc/07/76/06/1184077606.db2.gz AAIBPIGBSQYZHQ-UHFFFAOYSA-N 0 0 302.761 3.271 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCc2cccc3[nH]ccc32)cc1 ZINC001477443830 1184089742 /nfs/dbraw/zinc/08/97/42/1184089742.db2.gz VTUQPXKTMPZEAQ-UHFFFAOYSA-N 0 0 322.412 3.233 20 10 DGCDRN C[C@H](NC(=O)NCCc1ccc2[nH]ccc2c1)c1ccccc1O ZINC001478507316 1184156213 /nfs/dbraw/zinc/15/62/13/1184156213.db2.gz AACYVMRZEGIREG-ZDUSSCGKSA-N 0 0 323.396 3.476 20 10 DGCDRN Cc1ccc2oc(CNC(=O)NCc3ccccc3O)cc2c1 ZINC001478978306 1184190951 /nfs/dbraw/zinc/19/09/51/1184190951.db2.gz JPNCIDKIBIZCTQ-UHFFFAOYSA-N 0 0 310.353 3.446 20 10 DGCDRN Cn1c2ccc(F)cc2c(C[NH2+][C@H]2CCCC23CC3)c1C(=O)[O-] ZINC001608078718 1193277707 /nfs/dbraw/zinc/27/77/07/1193277707.db2.gz FCIMLDMQMREARV-HNNXBMFYSA-N 0 0 316.376 3.438 20 10 DGCDRN O=C([O-])[C@H]1CCCCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001608628741 1193297035 /nfs/dbraw/zinc/29/70/35/1193297035.db2.gz DYEYZAWZAMEVNF-QGZVFWFLSA-N 0 0 302.418 3.116 20 10 DGCDRN Cc1cc(C[NH2+]C2(CC(=O)[O-])CCCCC2)ccc1N(C)C ZINC001610462294 1193390703 /nfs/dbraw/zinc/39/07/03/1193390703.db2.gz ZDGLGGOHKIYYEX-UHFFFAOYSA-N 0 0 304.434 3.328 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CCC(C(C)C)CC2)cc1OC ZINC001611980174 1193444477 /nfs/dbraw/zinc/44/44/77/1193444477.db2.gz VRZWPJZRKJZQQV-UHFFFAOYSA-N 0 0 308.378 3.484 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)cc12 ZINC001519106653 1186865747 /nfs/dbraw/zinc/86/57/47/1186865747.db2.gz KYVIJDGFYMYVFP-DZXRDFMUSA-N 0 0 311.381 3.124 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1CC(C)(C)C[C@@H]1C ZINC001520738831 1186964675 /nfs/dbraw/zinc/96/46/75/1186964675.db2.gz PXZBAKVGTIRMKA-JTQLQIEISA-N 0 0 306.435 3.357 20 10 DGCDRN CCn1cccc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001520773619 1186967923 /nfs/dbraw/zinc/96/79/23/1186967923.db2.gz VLPUWKIXEQFXFR-UHFFFAOYSA-N 0 0 311.429 3.379 20 10 DGCDRN CCN(CCOC)C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001520951242 1186981682 /nfs/dbraw/zinc/98/16/82/1186981682.db2.gz DFYQULRIYDRELP-UHFFFAOYSA-N 0 0 314.429 3.132 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001523542744 1187170850 /nfs/dbraw/zinc/17/08/50/1187170850.db2.gz VPYILMXFOPJKTP-QDMKHBRRSA-N 0 0 314.429 3.304 20 10 DGCDRN CC(=O)c1cc(C(=O)Nc2c3nonc3ccc2Cl)cs1 ZINC001525082000 1187295672 /nfs/dbraw/zinc/29/56/72/1187295672.db2.gz XFOWKPCAWBEPKF-UHFFFAOYSA-N 0 0 321.745 3.393 20 10 DGCDRN Cn1cnc(/C=C/C(=O)N2CCCc3ccc(Cl)c(F)c32)c1 ZINC001525618411 1187325290 /nfs/dbraw/zinc/32/52/90/1187325290.db2.gz AFVKLSJGUFDHCI-FNORWQNLSA-N 0 0 319.767 3.205 20 10 DGCDRN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CC1(C)C ZINC001546421583 1187365747 /nfs/dbraw/zinc/36/57/47/1187365747.db2.gz KRUWMQQWXLFXBS-AWEZNQCLSA-N 0 0 314.433 3.229 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cccn3nccc23)cc1 ZINC001527406372 1187426660 /nfs/dbraw/zinc/42/66/60/1187426660.db2.gz URHMAYYIWZSXMU-UHFFFAOYSA-N 0 0 322.412 3.111 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H]2CC[C@H](C)CC2)cc1 ZINC001527596447 1187438024 /nfs/dbraw/zinc/43/80/24/1187438024.db2.gz ZTATYEIBLZOAGC-WKILWMFISA-N 0 0 318.461 3.416 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)c1cccc2c1OCC2 ZINC001531534233 1187695521 /nfs/dbraw/zinc/69/55/21/1187695521.db2.gz XQYBXILCYBZUJQ-UHFFFAOYSA-N 0 0 315.716 3.063 20 10 DGCDRN Cc1ncccc1/C=C/C(=O)N1CCN(C)c2cc(F)ccc21 ZINC001531588477 1187698400 /nfs/dbraw/zinc/69/84/00/1187698400.db2.gz CYDITAPSAUGEHS-VMPITWQZSA-N 0 0 311.360 3.025 20 10 DGCDRN CCCCC1(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC001532106067 1187735321 /nfs/dbraw/zinc/73/53/21/1187735321.db2.gz QDPQRFSDUXJURU-HNNXBMFYSA-N 0 0 316.445 3.361 20 10 DGCDRN C/C(=C/C(=O)N1CCCc2c(F)ccc(F)c21)c1cnccn1 ZINC001535135431 1187940776 /nfs/dbraw/zinc/94/07/76/1187940776.db2.gz QITPMIYBBYQDAQ-LUAWRHEFSA-N 0 0 315.323 3.138 20 10 DGCDRN CCOC(=O)c1ccccc1N(C)C(=O)/C(C)=C\c1cccnc1 ZINC001537331262 1188066256 /nfs/dbraw/zinc/06/62/56/1188066256.db2.gz DHLSZNKVHDWYRS-OWBHPGMISA-N 0 0 324.380 3.325 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2COC[C@@H]2C2CC2)cc1 ZINC001537611189 1188086771 /nfs/dbraw/zinc/08/67/71/1188086771.db2.gz QEXRNKAOGSBERQ-RTBURBONSA-N 0 0 324.424 3.249 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCCC[C@H]2C)cc1 ZINC001616534003 1193541653 /nfs/dbraw/zinc/54/16/53/1193541653.db2.gz MLLUCJNQMDQFDT-CRAIPNDOSA-N 0 0 318.461 3.416 20 10 DGCDRN CC(C)n1nccc1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001539408647 1188189681 /nfs/dbraw/zinc/18/96/81/1188189681.db2.gz XLBGDTVVXXQRLJ-UHFFFAOYSA-N 0 0 317.370 3.342 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H]2c2cccnc2)cc1 ZINC001539474753 1188191833 /nfs/dbraw/zinc/19/18/33/1188191833.db2.gz PZIDUXIHAMDWQQ-HNNXBMFYSA-N 0 0 323.356 3.221 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)C[C@H]2CCC(C)(C)CO2)cc1 ZINC001540518511 1188243522 /nfs/dbraw/zinc/24/35/22/1188243522.db2.gz QYTKSIPQVWJJQD-QGZVFWFLSA-N 0 0 318.461 3.306 20 10 DGCDRN C[C@H](NC(=O)c1ccc(F)c(O)c1)c1ccc(N(C)C)cc1 ZINC001616842629 1193548919 /nfs/dbraw/zinc/54/89/19/1193548919.db2.gz DSIZRVPMKIBYCT-NSHDSACASA-N 0 0 302.349 3.088 20 10 DGCDRN CCC(CC)(CO)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001540567440 1188246298 /nfs/dbraw/zinc/24/62/98/1188246298.db2.gz MGIBRTWCNXQRTF-UHFFFAOYSA-N 0 0 318.461 3.044 20 10 DGCDRN O=C(NCCCCCc1ccc(F)cc1)c1cccc(O)c1O ZINC001617006895 1193554982 /nfs/dbraw/zinc/55/49/82/1193554982.db2.gz CICHJDRKSCSWFZ-UHFFFAOYSA-N 0 0 317.360 3.380 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@@H]2C[C@H]2C)c1 ZINC001540817790 1188263637 /nfs/dbraw/zinc/26/36/37/1188263637.db2.gz FOQAFBKGAQUIQA-WBMJQRKESA-N 0 0 310.397 3.292 20 10 DGCDRN CCc1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1O ZINC001540812212 1188263862 /nfs/dbraw/zinc/26/38/62/1188263862.db2.gz ZNXZCRHIGLEPDR-UHFFFAOYSA-N 0 0 324.424 3.485 20 10 DGCDRN CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1C1CC1 ZINC001541428872 1188272891 /nfs/dbraw/zinc/27/28/91/1188272891.db2.gz MIPYROLMDLULQN-UHFFFAOYSA-N 0 0 300.406 3.154 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H]1c1cccc(F)c1 ZINC001542157206 1188278024 /nfs/dbraw/zinc/27/80/24/1188278024.db2.gz NQQVMDJALXVBGE-OAHLLOKOSA-N 0 0 315.344 3.143 20 10 DGCDRN COC(=O)[C@@H](NCc1ccc(OC)c(C)c1)C1CCCCC1 ZINC001617049984 1193556412 /nfs/dbraw/zinc/55/64/12/1193556412.db2.gz RVJDCKXOEVJBCC-KRWDZBQOSA-N 0 0 305.418 3.215 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1ccccc1-c1ccncc1 ZINC001545639277 1188435479 /nfs/dbraw/zinc/43/54/79/1188435479.db2.gz ISOBFPXYLJQGHU-UHFFFAOYSA-N 0 0 320.348 3.090 20 10 DGCDRN CCCC[C@H](O)CCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001556260973 1188992504 /nfs/dbraw/zinc/99/25/04/1188992504.db2.gz WPZQQFJDNCTPAT-YOEHRIQHSA-N 0 0 306.450 3.261 20 10 DGCDRN CC[C@H](NC(=O)c1cc(C)n(-c2ccccc2C)c1C)[C@@H](C)O ZINC001556585669 1189007781 /nfs/dbraw/zinc/00/77/81/1189007781.db2.gz BLBQDQSNPNVVDE-WBVHZDCISA-N 0 0 314.429 3.292 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H]1CCC[C@H]1O ZINC001556938426 1189030721 /nfs/dbraw/zinc/03/07/21/1189030721.db2.gz OFAUMLVCABKXCH-SJLPKXTDSA-N 0 0 312.413 3.046 20 10 DGCDRN COc1nccc2c(NC(=O)C3=CC(=O)CS3)cccc12 ZINC001556949610 1189030780 /nfs/dbraw/zinc/03/07/80/1189030780.db2.gz QMDOTNVHMBURES-UHFFFAOYSA-N 0 0 300.339 3.263 20 10 DGCDRN CC(C)(C(=O)NCc1ccc(O)cc1O)c1ccccc1Cl ZINC001557084575 1189040259 /nfs/dbraw/zinc/04/02/59/1189040259.db2.gz GFWXYZCOBLBJAB-UHFFFAOYSA-N 0 0 319.788 3.345 20 10 DGCDRN CCOc1ccccc1C(=O)NCc1ccc2cccnc2c1O ZINC001557123485 1189042251 /nfs/dbraw/zinc/04/22/51/1189042251.db2.gz PIVUAVCOXCHKHG-UHFFFAOYSA-N 0 0 322.364 3.269 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)C(F)(F)c2ccccc2F)c1 ZINC001557554383 1189071372 /nfs/dbraw/zinc/07/13/72/1189071372.db2.gz XVGUSMOEHDLGBV-UHFFFAOYSA-N 0 0 309.287 3.248 20 10 DGCDRN CC[C@H](C)Oc1cc(C(=O)N[C@H](C)c2ccccc2O)ccn1 ZINC001557967174 1189095074 /nfs/dbraw/zinc/09/50/74/1189095074.db2.gz WGFWMACZYOSLMZ-QWHCGFSZSA-N 0 0 314.385 3.456 20 10 DGCDRN C[C@@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC001557965486 1189095156 /nfs/dbraw/zinc/09/51/56/1189095156.db2.gz FTWMDBNKNDNUTF-NXIHDVOMSA-N 0 0 312.325 3.191 20 10 DGCDRN O=C(c1cc(-c2ccccc2F)on1)N1Cc2cccc(O)c2C1 ZINC001558034372 1189100851 /nfs/dbraw/zinc/10/08/51/1189100851.db2.gz DMBWTSRVSQBENL-UHFFFAOYSA-N 0 0 324.311 3.342 20 10 DGCDRN CCNc1ccc(C)cc1C(=O)NCc1c(O)cccc1F ZINC001558455091 1189126340 /nfs/dbraw/zinc/12/63/40/1189126340.db2.gz NQQARQUIMKEKBJ-UHFFFAOYSA-N 0 0 302.349 3.202 20 10 DGCDRN Cc1cc2occ(C(=O)NCc3c(O)cccc3O)c2cc1C ZINC001558533778 1189132275 /nfs/dbraw/zinc/13/22/75/1189132275.db2.gz JTTQQBBHIVSGCC-UHFFFAOYSA-N 0 0 311.337 3.391 20 10 DGCDRN Cc1n[nH]c(C)c1[C@@H](C)C(=O)NCc1c(O)ccc2ccccc21 ZINC001558554516 1189132918 /nfs/dbraw/zinc/13/29/18/1189132918.db2.gz RUYCBPQWXSPNFR-LLVKDONJSA-N 0 0 323.396 3.305 20 10 DGCDRN C[S@@](=O)(=NC(=O)C1=CC(=O)CS1)c1cccc(Cl)c1 ZINC001558773873 1189147740 /nfs/dbraw/zinc/14/77/40/1189147740.db2.gz BENOOFGCUSXZCG-IBGZPJMESA-N 0 0 315.803 3.404 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CCC3(CCCC3)C2)cc1OC ZINC001559116029 1189172543 /nfs/dbraw/zinc/17/25/43/1189172543.db2.gz NTIOCOCRBAJDFP-UHFFFAOYSA-N 0 0 306.362 3.383 20 10 DGCDRN CCN(CC1CCC1)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC001559174007 1189177690 /nfs/dbraw/zinc/17/76/90/1189177690.db2.gz LYJJSNJELKICOW-CSKARUKUSA-N 0 0 318.373 3.407 20 10 DGCDRN COC(=O)c1cnc(Sc2ncnc3ccc(F)cc32)s1 ZINC001559198395 1189179840 /nfs/dbraw/zinc/17/98/40/1189179840.db2.gz ODLIMTVQIRXUHI-UHFFFAOYSA-N 0 0 321.358 3.163 20 10 DGCDRN Oc1c(CNc2ncnc3ccccc32)ccc2cccnc21 ZINC001559217134 1189181840 /nfs/dbraw/zinc/18/18/40/1189181840.db2.gz ZCDHSKYOXZDXAB-UHFFFAOYSA-N 0 0 302.337 3.496 20 10 DGCDRN CCN(C[C@@H]1C[C@H]2CCC[C@@H]2O1)c1ccc(OC)c(OC)c1 ZINC001559642227 1189225949 /nfs/dbraw/zinc/22/59/49/1189225949.db2.gz HEJDMZCBMXUCDL-KBMXLJTQSA-N 0 0 305.418 3.488 20 10 DGCDRN CCN(C)c1ccc(CN2C[C@@H](C)O[C@](C)(C(F)F)C2)cc1 ZINC001560014161 1189269273 /nfs/dbraw/zinc/26/92/73/1189269273.db2.gz LWDUNWXOOGIJSN-DYVFJYSZSA-N 0 0 312.404 3.387 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCO[C@H](C(C)(C)C)CC2)c1O ZINC001560235383 1189295420 /nfs/dbraw/zinc/29/54/20/1189295420.db2.gz JBQMJPSGLPJIAY-INIZCTEOSA-N 0 0 323.408 3.371 20 10 DGCDRN CC[C@@H]1CC[C@H](C)N(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC001563609480 1189522972 /nfs/dbraw/zinc/52/29/72/1189522972.db2.gz CACGOIATJUKSBB-LSDHHAIUSA-N 0 0 303.450 3.473 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCCc2c(F)cccc2F)c1 ZINC001563692537 1189526727 /nfs/dbraw/zinc/52/67/27/1189526727.db2.gz MCJMSHMMMITFBD-UHFFFAOYSA-N 0 0 320.339 3.021 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N[C@]3(C)CC3(C)C)ccc21 ZINC001563792554 1189534432 /nfs/dbraw/zinc/53/44/32/1189534432.db2.gz RZLBBNWPAZJUAY-GOSISDBHSA-N 0 0 301.434 3.057 20 10 DGCDRN CC[C@@H](NC(=O)NCc1ccccc1O)c1ccc(F)cc1 ZINC001564418047 1189574201 /nfs/dbraw/zinc/57/42/01/1189574201.db2.gz KGQLFYNSUKGXQW-OAHLLOKOSA-N 0 0 302.349 3.482 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H](C)c1cccc(O)c1)c1ccccc1O ZINC001564666922 1189588797 /nfs/dbraw/zinc/58/87/97/1189588797.db2.gz GRTLNBDOIVUHOP-NWDGAFQWSA-N 0 0 300.358 3.219 20 10 DGCDRN CCCONC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC001564982320 1189612051 /nfs/dbraw/zinc/61/20/51/1189612051.db2.gz NDXHMUHEAUVZEL-UHFFFAOYSA-N 0 0 315.417 3.277 20 10 DGCDRN C[C@@H](NC(=O)NCc1cccc(F)c1F)c1ccccc1O ZINC001565153538 1189626406 /nfs/dbraw/zinc/62/64/06/1189626406.db2.gz PYHDSZIOAGOJND-SNVBAGLBSA-N 0 0 306.312 3.231 20 10 DGCDRN CCO[C@H]1C[C@H](NC(=O)c2ccc(C)c(O)c2O)C1(CC)CC ZINC001566143194 1189747425 /nfs/dbraw/zinc/74/74/25/1189747425.db2.gz OWFJDDFCKKUODT-KBPBESRZSA-N 0 0 321.417 3.120 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(Cl)ccc2N)c1 ZINC001566374383 1189765672 /nfs/dbraw/zinc/76/56/72/1189765672.db2.gz GWKMZGBLVAJQJR-VIFPVBQESA-N 0 0 320.776 3.127 20 10 DGCDRN O=C(N[C@@H]1CCc2cc(F)c(F)c(F)c21)C1=CC(=O)CS1 ZINC001569132334 1190634752 /nfs/dbraw/zinc/63/47/52/1190634752.db2.gz BTLIQYNWWIZYIW-SECBINFHSA-N 0 0 313.300 3.288 20 10 DGCDRN Cc1cc(NC(=O)C2=S=CC(O)=C2)ccc1-c1ccncc1 ZINC001569818775 1190758953 /nfs/dbraw/zinc/75/89/53/1190758953.db2.gz WTCVDAKKFXSIJT-UHFFFAOYSA-N 0 0 310.378 3.159 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2Cc3ccc(O)cc3C2)c1O ZINC001620435164 1193768184 /nfs/dbraw/zinc/76/81/84/1193768184.db2.gz PXTZFEASRIVGPC-UHFFFAOYSA-N 0 0 317.772 3.470 20 10 DGCDRN CCOc1ccc(N(C)C[C@@H]2CCC[C@@]3(CCOC3)O2)cc1 ZINC001620559743 1193778692 /nfs/dbraw/zinc/77/86/92/1193778692.db2.gz BHZWYUVSYUAJMM-ROUUACIJSA-N 0 0 305.418 3.250 20 10 DGCDRN COc1cccc(CNC(=O)/C=C(\C)c2cccs2)c1O ZINC001622779517 1193912160 /nfs/dbraw/zinc/91/21/60/1193912160.db2.gz QJYIVGIFDKLTGP-PKNBQFBNSA-N 0 0 303.383 3.182 20 10 DGCDRN COc1cc(NC(=O)N[C@@H](C)c2ccccc2O)ccc1F ZINC001623757750 1193955047 /nfs/dbraw/zinc/95/50/47/1193955047.db2.gz NDQOLXUVOPDFSR-JTQLQIEISA-N 0 0 304.321 3.423 20 10 DGCDRN O=C(NCc1cccc(F)c1)c1cc2cc(O)c(O)cc2s1 ZINC001624241637 1193988128 /nfs/dbraw/zinc/98/81/28/1193988128.db2.gz DPPWVWGFHCSLNY-UHFFFAOYSA-N 0 0 317.341 3.382 20 10 DGCDRN CCc1ccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)s1 ZINC001624498708 1193999886 /nfs/dbraw/zinc/99/98/86/1193999886.db2.gz GLGYUGUXNDYCBD-UHFFFAOYSA-N 0 0 316.386 3.403 20 10 DGCDRN Cc1cc(C(=O)NCc2cnccc2C)c(C)n1-c1ccccn1 ZINC001624689724 1194009013 /nfs/dbraw/zinc/00/90/13/1194009013.db2.gz KBRCXSFCJFDQIM-UHFFFAOYSA-N 0 0 320.396 3.123 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)Nc1cc(Cl)ccn1 ZINC001624678474 1194009365 /nfs/dbraw/zinc/00/93/65/1194009365.db2.gz FXCDFDZZSNFOON-UHFFFAOYSA-N 0 0 312.156 3.416 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2cc3c(cn2)CCCC3)cc1 ZINC001625041396 1194029095 /nfs/dbraw/zinc/02/90/95/1194029095.db2.gz OQKVDDVHOHDVII-UHFFFAOYSA-N 0 0 323.356 3.375 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H](O)C1CCC1 ZINC001626544239 1194082298 /nfs/dbraw/zinc/08/22/98/1194082298.db2.gz YACVWRSWEFUMBR-OAHLLOKOSA-N 0 0 318.442 3.046 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c(C)cccc1F ZINC001627026703 1194107718 /nfs/dbraw/zinc/10/77/18/1194107718.db2.gz UCPZJBDJXVYEFE-UHFFFAOYSA-N 0 0 308.349 3.255 20 10 DGCDRN C[C@H](C(=O)NCc1ccc2cccnc2c1O)c1cccc(F)c1 ZINC001627070083 1194110001 /nfs/dbraw/zinc/11/00/01/1194110001.db2.gz WAPGFYNJFVTHRS-LBPRGKRZSA-N 0 0 324.355 3.499 20 10 DGCDRN COc1ccc(CNC(=O)Nc2cscc2Cl)c(O)c1 ZINC001627339925 1194123922 /nfs/dbraw/zinc/12/39/22/1194123922.db2.gz WBPPGSZZQVTCAM-UHFFFAOYSA-N 0 0 312.778 3.437 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cccc(-c3cnco3)c2)cc1 ZINC001628707944 1194192740 /nfs/dbraw/zinc/19/27/40/1194192740.db2.gz DWJBBDOYFLTNNZ-UHFFFAOYSA-N 0 0 321.380 3.338 20 10 DGCDRN C/C(=C(\F)C(=O)N1CCOc2cc(N(C)C)ccc21)C1CC1 ZINC001628727305 1194194054 /nfs/dbraw/zinc/19/40/54/1194194054.db2.gz RLTLDITYFFWHPK-LFIBNONCSA-N 0 0 304.365 3.132 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc2occc2c1 ZINC001628833547 1194199074 /nfs/dbraw/zinc/19/90/74/1194199074.db2.gz FKEXEKYBBSMUPV-ZZXKWVIFSA-N 0 0 309.321 3.174 20 10 DGCDRN CCC[C@@H](C)NC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001629298386 1194224884 /nfs/dbraw/zinc/22/48/84/1194224884.db2.gz ONYFSGIKXXLMJR-CABCVRRESA-N 0 0 305.466 3.480 20 10 DGCDRN CCCCO[C@H]1C[C@@H](NC(=O)c2ccc(C)c(O)c2O)C1(C)C ZINC001629523459 1194239636 /nfs/dbraw/zinc/23/96/36/1194239636.db2.gz YIXHBJDCHGEUKT-KGLIPLIRSA-N 0 0 321.417 3.120 20 10 DGCDRN COc1c(C)cc(Cl)cc1NC(=O)c1cccc(O)c1O ZINC001629721897 1194249129 /nfs/dbraw/zinc/24/91/29/1194249129.db2.gz YQHXZJJIMMMYPI-UHFFFAOYSA-N 0 0 307.733 3.321 20 10 DGCDRN CCOc1c(F)cccc1C(=O)NCc1cc(C)ccc1O ZINC001629740212 1194250141 /nfs/dbraw/zinc/25/01/41/1194250141.db2.gz AENCEBGIBLYUDT-UHFFFAOYSA-N 0 0 303.333 3.168 20 10 DGCDRN C[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@@H](c2ccco2)C1 ZINC001629953456 1194261963 /nfs/dbraw/zinc/26/19/63/1194261963.db2.gz AFGMZQQYALFLML-GXTWGEPZSA-N 0 0 315.369 3.233 20 10 DGCDRN C/C(=C\c1ccccc1Cl)C(=O)NCc1ccc(O)cc1O ZINC001630301958 1194279692 /nfs/dbraw/zinc/27/96/92/1194279692.db2.gz OLMDTLWSKXJGSM-DHZHZOJOSA-N 0 0 317.772 3.471 20 10 DGCDRN Cc1ccc(CC(=O)NCc2ccc3cccnc3c2O)cc1 ZINC001630526020 1194290389 /nfs/dbraw/zinc/29/03/89/1194290389.db2.gz AZRHUIQUDXODQU-UHFFFAOYSA-N 0 0 306.365 3.108 20 10 DGCDRN CCc1nnc(NC(=O)c2cc(C)ccc2-n2c(C)ccc2C)[nH]1 ZINC001631174539 1194323618 /nfs/dbraw/zinc/32/36/18/1194323618.db2.gz MPROUCAXIUHCOL-UHFFFAOYSA-N 0 0 323.400 3.335 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H]1C(C)(C)C ZINC001631506348 1194338896 /nfs/dbraw/zinc/33/88/96/1194338896.db2.gz VIGIMUDIMFUPJR-MRXNPFEDSA-N 0 0 303.450 3.391 20 10 DGCDRN Cc1cc(CC(=O)Nc2ccc[nH]c2=O)c(C)n1-c1ccccc1 ZINC001631603321 1194344372 /nfs/dbraw/zinc/34/43/72/1194344372.db2.gz YMWLCTCLKJBWNY-UHFFFAOYSA-N 0 0 321.380 3.376 20 10 DGCDRN C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1ccc[nH]1 ZINC001632209872 1194376353 /nfs/dbraw/zinc/37/63/53/1194376353.db2.gz CBZBXDGPBQIERI-MRVPVSSYSA-N 0 0 302.355 3.132 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1CC(=O)c2ccccc21 ZINC001632223325 1194377800 /nfs/dbraw/zinc/37/78/00/1194377800.db2.gz IELKTWKDQANSJS-AWEZNQCLSA-N 0 0 315.756 3.032 20 10 DGCDRN C[C@@H](NC(=O)c1[nH]nc2ccc(Cl)cc21)c1ccccc1O ZINC001632246373 1194378324 /nfs/dbraw/zinc/37/83/24/1194378324.db2.gz FQYSNMQQPOHZKS-SECBINFHSA-N 0 0 315.760 3.413 20 10 DGCDRN O=C(/C=C\c1ccc(Cl)cc1)NCc1cccc(O)c1O ZINC001633515533 1194440423 /nfs/dbraw/zinc/44/04/23/1194440423.db2.gz FGHNIKBTLIEEFG-TWGQIWQCSA-N 0 0 303.745 3.081 20 10 DGCDRN CC1(C)CCC[C@H]1CCNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001633668022 1194449032 /nfs/dbraw/zinc/44/90/32/1194449032.db2.gz WAFOADHMMLTYOH-QPBFKRLHSA-N 0 0 303.402 3.444 20 10 DGCDRN Cc1cc(CC(=O)Nc2ncccc2O)c(C)n1-c1ccccc1 ZINC001633847703 1194459473 /nfs/dbraw/zinc/45/94/73/1194459473.db2.gz BYJWDVMEENYJSS-UHFFFAOYSA-N 0 0 321.380 3.376 20 10 DGCDRN CC[C@@H](c1ccncc1)N(CC)C(=O)Cc1ccc(O)c(O)c1 ZINC001634069022 1194472324 /nfs/dbraw/zinc/47/23/24/1194472324.db2.gz QZSMTZGHXLFUNW-HNNXBMFYSA-N 0 0 314.385 3.035 20 10 DGCDRN C[C@@H](NC(=O)c1cc2c([nH]1)CCCC2)c1ccc(N(C)C)cc1 ZINC001634447905 1194494287 /nfs/dbraw/zinc/49/42/87/1194494287.db2.gz DAUHWOLYVRJUFM-CYBMUJFWSA-N 0 0 311.429 3.451 20 10 DGCDRN O=C(NCc1c(O)cccc1F)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC001634725106 1194511578 /nfs/dbraw/zinc/51/15/78/1194511578.db2.gz NWQRQMZRXCLPKL-WFASDCNBSA-N 0 0 318.323 3.026 20 10 DGCDRN C[C@@H](c1ccccc1)N(C(=O)Cc1ccc(O)c(O)c1)C1CC1 ZINC001635084458 1194531456 /nfs/dbraw/zinc/53/14/56/1194531456.db2.gz NJKUWJLNUWGDQW-ZDUSSCGKSA-N 0 0 311.381 3.393 20 10 DGCDRN CCCSc1cccc(NC(=O)c2cccc(O)c2O)n1 ZINC001635251749 1194540746 /nfs/dbraw/zinc/54/07/46/1194540746.db2.gz YPIOOZJDZCKOQP-UHFFFAOYSA-N 0 0 304.371 3.247 20 10 DGCDRN CC(C)(NC(=O)C1=CC(=O)CS1)c1ccc([N+](=O)[O-])cc1 ZINC001635274622 1194541542 /nfs/dbraw/zinc/54/15/42/1194541542.db2.gz KZOQGKWFUKDOBR-UHFFFAOYSA-N 0 0 306.343 3.027 20 10 DGCDRN O=C(NCc1c(O)cccc1F)C(F)(F)Cc1ccccc1 ZINC001635367105 1194547247 /nfs/dbraw/zinc/54/72/47/1194547247.db2.gz ZBUHPWLXELTYDH-UHFFFAOYSA-N 0 0 309.287 3.026 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2cccc3ocnc32)cc1 ZINC001635382103 1194548519 /nfs/dbraw/zinc/54/85/19/1194548519.db2.gz HDPXZDXXSTYYNT-UHFFFAOYSA-N 0 0 309.285 3.243 20 10 DGCDRN C[C@@H](NC(=O)[C@@H](O)c1ccc(Cl)cc1F)c1ccccc1O ZINC001635798857 1194572788 /nfs/dbraw/zinc/57/27/88/1194572788.db2.gz FKSIJACMCPCPRU-PSLIRLAXSA-N 0 0 323.751 3.096 20 10 DGCDRN O=C(CCCc1ccccc1Cl)NCc1c(O)cccc1O ZINC001635847890 1194575853 /nfs/dbraw/zinc/57/58/53/1194575853.db2.gz VUTJATASLVQJRJ-UHFFFAOYSA-N 0 0 319.788 3.390 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1C[C@H]1C(C)C ZINC001635992639 1194584525 /nfs/dbraw/zinc/58/45/25/1194584525.db2.gz VLLMDDWOLMGODZ-JCGIZDLHSA-N 0 0 317.477 3.336 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c(C)cccc1C ZINC001636058744 1194589895 /nfs/dbraw/zinc/58/98/95/1194589895.db2.gz PLTZZSJFRSFZAD-UHFFFAOYSA-N 0 0 304.386 3.425 20 10 DGCDRN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1Cc2cccc(O)c2C1 ZINC001636224304 1194601002 /nfs/dbraw/zinc/60/10/02/1194601002.db2.gz IRYUPGDQULBUFC-UHFFFAOYSA-N 0 0 318.716 3.110 20 10 DGCDRN O=C(Cc1ccccc1OC(F)F)N1Cc2cccc(O)c2C1 ZINC001636230391 1194601361 /nfs/dbraw/zinc/60/13/61/1194601361.db2.gz BDFFWRFLEMMXOY-UHFFFAOYSA-N 0 0 319.307 3.079 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@@H]1C=CCC1 ZINC001636267983 1194602765 /nfs/dbraw/zinc/60/27/65/1194602765.db2.gz XBQVIHXAPLDFIF-HZPDHXFCSA-N 0 0 315.461 3.257 20 10 DGCDRN C[C@@H](CC(=O)NCc1cc(O)ccc1O)c1ccccc1F ZINC001637125647 1194651648 /nfs/dbraw/zinc/65/16/48/1194651648.db2.gz AHOAMOUIOMYMOW-NSHDSACASA-N 0 0 303.333 3.047 20 10 DGCDRN O=C(C[C@H]1OCc2ccccc21)NCc1cccc(Cl)c1O ZINC001637232320 1194657769 /nfs/dbraw/zinc/65/77/69/1194657769.db2.gz PRKFBWGWVRICJV-OAHLLOKOSA-N 0 0 317.772 3.323 20 10 DGCDRN O=C(/C=C\c1cccc(O)c1)NCc1cccc(Cl)c1O ZINC001637227189 1194658161 /nfs/dbraw/zinc/65/81/61/1194658161.db2.gz QOXYCXNYFKQSNS-FPLPWBNLSA-N 0 0 303.745 3.081 20 10 DGCDRN Cc1cc(CNC(=O)N2CCCO2)c(C)n1-c1cccc(C)c1 ZINC001637577286 1194677052 /nfs/dbraw/zinc/67/70/52/1194677052.db2.gz AAUJHJRGFYNRAI-UHFFFAOYSA-N 0 0 313.401 3.249 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2ccncc2c1 ZINC001638348642 1194713444 /nfs/dbraw/zinc/71/34/44/1194713444.db2.gz WIBJKLIINRLEKG-LBPRGKRZSA-N 0 0 322.364 3.007 20 10 DGCDRN C/C(=C\C1CCC(C)CC1)C(=O)NCc1c(O)cccc1O ZINC001639292410 1194759146 /nfs/dbraw/zinc/75/91/46/1194759146.db2.gz ASKMSSKHPTZENX-JLHYYAGUSA-N 0 0 303.402 3.487 20 10 DGCDRN C[C@@H](CC(=O)NCc1ccc(O)cc1O)c1ccccc1F ZINC001639444266 1194766647 /nfs/dbraw/zinc/76/66/47/1194766647.db2.gz FAQXABATDBXPNA-NSHDSACASA-N 0 0 303.333 3.047 20 10 DGCDRN Cc1ccc(-n2ccc(NC(=O)c3ccc(C)c(O)c3O)n2)cc1 ZINC001639542917 1194770680 /nfs/dbraw/zinc/77/06/80/1194770680.db2.gz QNGLQSIJIZARBT-UHFFFAOYSA-N 0 0 323.352 3.153 20 10 DGCDRN Cc1cc(CC(=O)N2CC(C)(F)C2)c(C)n1-c1ccccc1 ZINC001639958413 1194788893 /nfs/dbraw/zinc/78/88/93/1194788893.db2.gz PJKQSEQAZNGCAA-UHFFFAOYSA-N 0 0 300.377 3.207 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCC(C)(C)[C@@H](C)O ZINC001640042303 1194793661 /nfs/dbraw/zinc/79/36/61/1194793661.db2.gz ZIEXNUQIYBALDM-CYBMUJFWSA-N 0 0 320.458 3.292 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1c(F)cccc1[N+](=O)[O-] ZINC001640405117 1194811672 /nfs/dbraw/zinc/81/16/72/1194811672.db2.gz MITXFDIPNAPEHI-UHFFFAOYSA-N 0 0 324.695 3.023 20 10 DGCDRN CC[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1F ZINC001640709242 1194825631 /nfs/dbraw/zinc/82/56/31/1194825631.db2.gz VLYGYQKETWLKII-AWEZNQCLSA-N 0 0 303.333 3.047 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)Nc1cc(C(F)F)ccc1F ZINC001640813140 1194828903 /nfs/dbraw/zinc/82/89/03/1194828903.db2.gz USSPBKGLWXMZLO-UHFFFAOYSA-N 0 0 311.259 3.356 20 10 DGCDRN CC1(C)C[C@@]1(NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001641299372 1194847700 /nfs/dbraw/zinc/84/77/00/1194847700.db2.gz LCXWWLYRJWBQRI-LJQANCHMSA-N 0 0 311.381 3.082 20 10 DGCDRN COC(=O)c1cc(OCc2c(C)nsc2C)ccc1N(C)C ZINC001641365151 1194850419 /nfs/dbraw/zinc/85/04/19/1194850419.db2.gz BIHOIAKQEWAJNW-UHFFFAOYSA-N 0 0 320.414 3.192 20 10 DGCDRN O=C(NCc1ccc(OC(F)F)c(F)c1)C1=CC(=O)CS1 ZINC001641375319 1194850543 /nfs/dbraw/zinc/85/05/43/1194850543.db2.gz KTYDZTYIJQBSJA-UHFFFAOYSA-N 0 0 317.288 3.124 20 10 DGCDRN COc1cc(NC(=O)c2cc(C)ccc2-n2c(C)ccc2C)[nH]n1 ZINC001641523805 1194858516 /nfs/dbraw/zinc/85/85/16/1194858516.db2.gz AYFIZGJZTTWFRE-UHFFFAOYSA-N 0 0 324.384 3.387 20 10 DGCDRN COc1cccc2[nH]c(C(=O)NCc3cc(C)ccc3O)cc21 ZINC001641732422 1194868911 /nfs/dbraw/zinc/86/89/11/1194868911.db2.gz AYTRBWHBNZIUCJ-UHFFFAOYSA-N 0 0 310.353 3.121 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cc(Cl)c(Cl)n2C)c1 ZINC001641729740 1194868995 /nfs/dbraw/zinc/86/89/95/1194868995.db2.gz YDPLECIUGVNSDD-UHFFFAOYSA-N 0 0 313.184 3.276 20 10 DGCDRN Cc1cc(CC(=O)NOC/C=C/Cl)c(C)n1-c1ccccc1 ZINC001642038188 1194885028 /nfs/dbraw/zinc/88/50/28/1194885028.db2.gz RCIGYLARVJJSEF-RMKNXTFCSA-N 0 0 318.804 3.437 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H]1CCC[C@@H]1O ZINC001642568698 1194920202 /nfs/dbraw/zinc/92/02/02/1194920202.db2.gz OFAUMLVCABKXCH-WMZOPIPTSA-N 0 0 312.413 3.046 20 10 DGCDRN C[C@H](NC(=O)c1cc(=O)[nH]c2ccccc21)c1ccccc1O ZINC001642827595 1194943279 /nfs/dbraw/zinc/94/32/79/1194943279.db2.gz MIHBIGZXJQDWDZ-NSHDSACASA-N 0 0 308.337 3.137 20 10 DGCDRN Cc1ccc2c(c1)C=C(C(=O)N[C@@H](C)c1ccccc1O)CO2 ZINC001642830337 1194944167 /nfs/dbraw/zinc/94/41/67/1194944167.db2.gz CWZGEFLWZROZAD-ZDUSSCGKSA-N 0 0 309.365 3.354 20 10 DGCDRN CC[C@@H](C)Oc1cc(C(=O)N[C@@H](C)c2ccccc2O)ccn1 ZINC001642831304 1194944745 /nfs/dbraw/zinc/94/47/45/1194944745.db2.gz WGFWMACZYOSLMZ-OLZOCXBDSA-N 0 0 314.385 3.456 20 10 DGCDRN C[C@]1(C2CCCCC2)CCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001643357587 1195017761 /nfs/dbraw/zinc/01/77/61/1195017761.db2.gz IDCPAVKKMMPLCG-GOSISDBHSA-N 0 0 303.402 3.212 20 10 DGCDRN C/C(=C/C(=O)NCc1cccc(O)c1O)c1cccc(Cl)c1 ZINC001643812833 1195056647 /nfs/dbraw/zinc/05/66/47/1195056647.db2.gz QZBNEWOYRXOHCO-FLIBITNWSA-N 0 0 317.772 3.471 20 10 DGCDRN CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NCc1cc(O)ccc1O ZINC001643882189 1195060136 /nfs/dbraw/zinc/06/01/36/1195060136.db2.gz PVAYOMBIWUOXHI-VMGRFDJRSA-N 0 0 321.417 3.088 20 10 DGCDRN Cc1c(C(=O)N2Cc3cccc(O)c3C2)cnn1-c1ccccc1 ZINC001644088542 1195080031 /nfs/dbraw/zinc/08/00/31/1195080031.db2.gz YZWPUFRCLKWENT-UHFFFAOYSA-N 0 0 319.364 3.042 20 10 DGCDRN O=C(c1cc(F)c(Cl)cc1F)N1Cc2cccc(O)c2C1 ZINC001644088361 1195080310 /nfs/dbraw/zinc/08/03/10/1195080310.db2.gz QYXGNROJUFDGQQ-UHFFFAOYSA-N 0 0 309.699 3.480 20 10 DGCDRN O=C(c1cc(Br)cs1)N1Cc2cccc(O)c2C1 ZINC001644088056 1195080600 /nfs/dbraw/zinc/08/06/00/1195080600.db2.gz CZTMFHXWNYGXKT-UHFFFAOYSA-N 0 0 324.199 3.372 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](CO)CC(C)C ZINC001644599772 1195119579 /nfs/dbraw/zinc/11/95/79/1195119579.db2.gz JJMYRKTUNQGAEQ-CQSZACIVSA-N 0 0 320.458 3.292 20 10 DGCDRN C/C(=C/c1ccccc1Cl)C(=O)NCc1cccc(O)c1O ZINC001644710846 1195128612 /nfs/dbraw/zinc/12/86/12/1195128612.db2.gz LHGFJGIOVFWIDS-LUAWRHEFSA-N 0 0 317.772 3.471 20 10 DGCDRN CCc1cccc2c(CC(=O)NCc3cccc(O)c3O)c[nH]c21 ZINC001644710498 1195129020 /nfs/dbraw/zinc/12/90/20/1195129020.db2.gz BHKPUKOXZUQALW-UHFFFAOYSA-N 0 0 324.380 3.000 20 10 DGCDRN C[C@@H](CC(=O)NCc1cc(O)ccc1O)c1cccc(F)c1 ZINC001644754510 1195131645 /nfs/dbraw/zinc/13/16/45/1195131645.db2.gz ZLVUAYCGSABYJP-NSHDSACASA-N 0 0 303.333 3.047 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1ccn(C(F)F)n1 ZINC001645441045 1195183998 /nfs/dbraw/zinc/18/39/98/1195183998.db2.gz SJOXBTPCBROXIW-UHFFFAOYSA-N 0 0 317.295 3.067 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1c(O)cccc1F ZINC001645441063 1195184057 /nfs/dbraw/zinc/18/40/57/1195184057.db2.gz TWAWTAMWWBUESL-UHFFFAOYSA-N 0 0 311.312 3.320 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cc2c[nH]ccc-2n1 ZINC001645443259 1195184355 /nfs/dbraw/zinc/18/43/55/1195184355.db2.gz KFMWRHBZAYGKNV-UHFFFAOYSA-N 0 0 317.348 3.352 20 10 DGCDRN COc1cc(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)[nH]n1 ZINC001645497286 1195189206 /nfs/dbraw/zinc/18/92/06/1195189206.db2.gz NLSQJYZYZJNCEX-UHFFFAOYSA-N 0 0 324.384 3.387 20 10 DGCDRN O=C(CCc1cccc(Cl)c1)NCc1c(O)cccc1F ZINC001646029418 1195211949 /nfs/dbraw/zinc/21/19/49/1195211949.db2.gz XVBGBQFBDIBHKO-UHFFFAOYSA-N 0 0 307.752 3.434 20 10 DGCDRN CC(C)Cc1ccccc1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001646327812 1195223209 /nfs/dbraw/zinc/22/32/09/1195223209.db2.gz RXRUZVMSAMEKEJ-UHFFFAOYSA-N 0 0 313.397 3.155 20 10 DGCDRN COc1ccc(N(C)CC(=O)Nc2ccccc2Cl)cc1 ZINC001646863285 1195237888 /nfs/dbraw/zinc/23/78/88/1195237888.db2.gz GSTHRBMKZYZUIQ-UHFFFAOYSA-N 0 0 304.777 3.424 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)c1ncnc2[nH]ccc21 ZINC001650089063 1195359843 /nfs/dbraw/zinc/35/98/43/1195359843.db2.gz WITOOXUSJRUJKW-UHFFFAOYSA-N 0 0 307.401 3.195 20 10 DGCDRN CCN(CC)c1ccc(CNc2cc(C)nc3nc(C)nn32)cc1 ZINC001650648573 1195368923 /nfs/dbraw/zinc/36/89/23/1195368923.db2.gz GZPGATPQRUFFMB-UHFFFAOYSA-N 0 0 324.432 3.199 20 10 DGCDRN O=C(c1cc(-c2cccc(F)c2)no1)N1Cc2cccc(O)c2C1 ZINC001650673687 1195370820 /nfs/dbraw/zinc/37/08/20/1195370820.db2.gz ZNBQNWJMPUIYSJ-UHFFFAOYSA-N 0 0 324.311 3.342 20 10 DGCDRN CCCCNc1ccccc1C(=O)NCc1cc(O)ccc1O ZINC001651222434 1195428178 /nfs/dbraw/zinc/42/81/78/1195428178.db2.gz FISGXJCAPZKLRP-UHFFFAOYSA-N 0 0 314.385 3.240 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1ccc(F)c2ccccc12 ZINC001651225393 1195429016 /nfs/dbraw/zinc/42/90/16/1195429016.db2.gz HPZFLURKKGPUSQ-UHFFFAOYSA-N 0 0 311.312 3.320 20 10 DGCDRN CCc1nsc(N(C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001651339034 1195446205 /nfs/dbraw/zinc/44/62/05/1195446205.db2.gz CYVXVZRYMYWBJK-UHFFFAOYSA-N 0 0 302.447 3.337 20 10 DGCDRN CCN(Cc1ccccc1)c1ccc(CNc2cnnn2C)cc1 ZINC001651691363 1195498593 /nfs/dbraw/zinc/49/85/93/1195498593.db2.gz QORFVVSYUZAJSA-UHFFFAOYSA-N 0 0 321.428 3.454 20 10 DGCDRN COC(=O)c1sc(N[C@H](C)c2ccccc2O)nc1Cl ZINC001652136709 1195552428 /nfs/dbraw/zinc/55/24/28/1195552428.db2.gz GBJPFMLMDSVXCZ-SSDOTTSWSA-N 0 0 312.778 3.462 20 10 DGCDRN C/C(=C/c1ccc(F)cc1)C(=O)NCc1c(O)cccc1F ZINC001652298400 1195576374 /nfs/dbraw/zinc/57/63/74/1195576374.db2.gz JOPDFNLUQDFQHK-LUAWRHEFSA-N 0 0 303.308 3.390 20 10 DGCDRN CC(C)[C@@H](CO)[C@H]([NH2+]Cc1cc(F)c(F)cc1[O-])C(C)C ZINC001652500220 1195606778 /nfs/dbraw/zinc/60/67/78/1195606778.db2.gz SZGCUUHUSVIGQG-MLGOLLRUSA-N 0 0 301.377 3.049 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1ccc(Cl)c(Cl)c1 ZINC001652623686 1195627214 /nfs/dbraw/zinc/62/72/14/1195627214.db2.gz ZRGAOQMGCHKZRD-UHFFFAOYSA-N 0 0 312.152 3.335 20 10 DGCDRN Cc1cccc(O)c1C(=O)NCc1c(O)ccc2ccccc21 ZINC001652709228 1195639528 /nfs/dbraw/zinc/63/95/28/1195639528.db2.gz WNWDTSCSRCYQSX-UHFFFAOYSA-N 0 0 307.349 3.489 20 10 DGCDRN COc1ccc(N(C)CCN2CCc3ccccc32)cc1F ZINC001652802354 1195653378 /nfs/dbraw/zinc/65/33/78/1195653378.db2.gz PFDLRRBWNFVASI-UHFFFAOYSA-N 0 0 300.377 3.333 20 10 DGCDRN COC(=O)c1cnc(SCC(=O)c2ccc(F)cc2)s1 ZINC001652853894 1195661286 /nfs/dbraw/zinc/66/12/86/1195661286.db2.gz PRQTXFUAZJHFNC-UHFFFAOYSA-N 0 0 311.359 3.044 20 10 DGCDRN Cn1c(=O)c(CSc2ncc(Cl)s2)nc2ccccc21 ZINC001652984482 1195676956 /nfs/dbraw/zinc/67/69/56/1195676956.db2.gz CZEXEMPBVHZCQN-UHFFFAOYSA-N 0 0 323.830 3.336 20 10 DGCDRN CC1(C)CC[C@H](CO)[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC001653016549 1195680700 /nfs/dbraw/zinc/68/07/00/1195680700.db2.gz BMAJGBZCVIYOHM-SNVBAGLBSA-N 0 0 301.789 3.168 20 10 DGCDRN [O-]c1c(F)cccc1C[NH2+]CCc1ccc2c(c1)OCCCO2 ZINC001653118052 1195689885 /nfs/dbraw/zinc/68/98/85/1195689885.db2.gz YMMRRPRPKDLHED-UHFFFAOYSA-N 0 0 317.360 3.025 20 10 DGCDRN CCOC[C@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-])C(C)C ZINC001653554305 1195733664 /nfs/dbraw/zinc/73/36/64/1195733664.db2.gz CVJAORINKDPHQF-HNNXBMFYSA-N 0 0 313.825 3.399 20 10 DGCDRN CCN(C[C@H]1CC[C@@H](C2CC2)O1)c1ccc(OC)c(OC)c1 ZINC001653749373 1195748346 /nfs/dbraw/zinc/74/83/46/1195748346.db2.gz LZXPKRLTQKXXLE-CVEARBPZSA-N 0 0 305.418 3.488 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001654011171 1195766998 /nfs/dbraw/zinc/76/69/98/1195766998.db2.gz JLKIWLKQMWOJGI-UBSAEIQESA-N 0 0 308.372 3.243 20 10 DGCDRN CCOC(=O)[C@H](CC)N(Cc1ccc(N(C)C)c(C)c1)C1CC1 ZINC001654203710 1195783889 /nfs/dbraw/zinc/78/38/89/1195783889.db2.gz MGZDEQVTNBYYIY-KRWDZBQOSA-N 0 0 318.461 3.367 20 10 DGCDRN CCOc1ccc(N(CC2CC2)C[C@@H]2C[C@@H]3COC[C@@H]3O2)cc1 ZINC001654518157 1195812986 /nfs/dbraw/zinc/81/29/86/1195812986.db2.gz HXPGHTSCZZVPJW-MNEFBYGVSA-N 0 0 317.429 3.106 20 10 DGCDRN CSc1ccc([C@H](C)NC(=O)c2c(F)ccc(O)c2O)cc1 ZINC001654523216 1195813344 /nfs/dbraw/zinc/81/33/44/1195813344.db2.gz NRUMNQSWHDEZKV-VIFPVBQESA-N 0 0 321.373 3.450 20 10 DGCDRN CCOc1ccc(N(C)CCOC(=O)Cc2ccccc2)cc1 ZINC001654718300 1195832082 /nfs/dbraw/zinc/83/20/82/1195832082.db2.gz BEJGUPMRENFQBZ-UHFFFAOYSA-N 0 0 313.397 3.307 20 10 DGCDRN Cc1cc(F)ccc1[C@H](C)NC(=O)c1c(F)ccc(O)c1O ZINC001654802979 1195842609 /nfs/dbraw/zinc/84/26/09/1195842609.db2.gz CYEGRCFOGYLPSZ-VIFPVBQESA-N 0 0 307.296 3.175 20 10 DGCDRN COc1ccc(O)c([C@H](C)Nc2ncc([N+](=O)[O-])cc2F)c1 ZINC001655107260 1195877811 /nfs/dbraw/zinc/87/78/11/1195877811.db2.gz OVCCESGOOOPATC-QMMMGPOBSA-N 0 0 307.281 3.016 20 10 DGCDRN Cc1nc(CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])cs1 ZINC001655246442 1195895377 /nfs/dbraw/zinc/89/53/77/1195895377.db2.gz OECOFRXNNBWXFZ-UHFFFAOYSA-N 0 0 300.786 3.282 20 10 DGCDRN Fc1cc2c(c(F)c1)[C@H](NCc1ccc3c(c1)CCO3)CO2 ZINC001656073779 1195994892 /nfs/dbraw/zinc/99/48/92/1195994892.db2.gz KYTPBKZBLVURIM-CQSZACIVSA-N 0 0 303.308 3.123 20 10 DGCDRN O=C(CSc1nccs1)c1ccc(Br)cn1 ZINC001656234371 1196021981 /nfs/dbraw/zinc/02/19/81/1196021981.db2.gz IVDQOQKMBXKFDQ-UHFFFAOYSA-N 0 0 315.217 3.276 20 10 DGCDRN CN(C)c1ccc(/C=C\CNc2cccc3c2OCC(=O)N3)cc1 ZINC001656360715 1196032549 /nfs/dbraw/zinc/03/25/49/1196032549.db2.gz KAZXNUQSQDTAKD-PLNGDYQASA-N 0 0 323.396 3.209 20 10 DGCDRN C[C@@]1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCCC[C@H]1O ZINC001656689456 1196062352 /nfs/dbraw/zinc/06/23/52/1196062352.db2.gz XXVBZULUKQCWEL-HIFRSBDPSA-N 0 0 301.789 3.216 20 10 DGCDRN COC(=O)c1cc(OCC=C(Cl)Cl)ccc1N(C)C ZINC001656826201 1196073908 /nfs/dbraw/zinc/07/39/08/1196073908.db2.gz RKLVIVWAPVHNAT-UHFFFAOYSA-N 0 0 304.173 3.237 20 10 DGCDRN O=C(NCc1c(O)cccc1F)Nc1ccc(F)c(F)c1F ZINC001657575645 1196156421 /nfs/dbraw/zinc/15/64/21/1196156421.db2.gz NEZXBNGTCNWGHO-UHFFFAOYSA-N 0 0 314.238 3.270 20 10 DGCDRN CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1c(C)noc1C ZINC001657594499 1196157686 /nfs/dbraw/zinc/15/76/86/1196157686.db2.gz WFIAAAWGFSDERQ-ZDUSSCGKSA-N 0 0 305.334 3.146 20 10 DGCDRN COCC[N@H+](Cc1ccccc1)Cc1cc(F)cc(F)c1[O-] ZINC001657620948 1196162185 /nfs/dbraw/zinc/16/21/85/1196162185.db2.gz ZHTOVQNXMYYWCC-UHFFFAOYSA-N 0 0 307.340 3.319 20 10 DGCDRN CCCN1CCN(Cc2cc(C(C)C)ccc2O)C(C)(C)C1=O ZINC001657851311 1196185216 /nfs/dbraw/zinc/18/52/16/1196185216.db2.gz LNCPDSBTWADJON-UHFFFAOYSA-N 0 0 318.461 3.348 20 10 DGCDRN COC(=O)[C@H]1C[C@@H](C)CCN1Cc1cc(Cl)c(C)cc1O ZINC001657860224 1196187177 /nfs/dbraw/zinc/18/71/77/1196187177.db2.gz NIQLDBJPQURTRI-IINYFYTJSA-N 0 0 311.809 3.128 20 10 DGCDRN C[C@@H](CN1CCC(C)CC1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001658281577 1196235632 /nfs/dbraw/zinc/23/56/32/1196235632.db2.gz PUFIEAGXNFFBAJ-LBPRGKRZSA-N 0 0 314.832 3.395 20 10 DGCDRN Cc1cc(C[NH2+]Cc2cccnc2N)c(C)n1-c1ccccc1 ZINC001658704816 1196289853 /nfs/dbraw/zinc/28/98/53/1196289853.db2.gz POOQWWGOQTXIII-UHFFFAOYSA-N 0 0 306.413 3.361 20 10 DGCDRN [O-]c1c(C[NH2+]Cc2c(F)cc(F)cc2F)ccc(F)c1F ZINC001658875457 1196313643 /nfs/dbraw/zinc/31/36/43/1196313643.db2.gz LUFHUOFXPRENQH-UHFFFAOYSA-N 0 0 303.230 3.378 20 10 DGCDRN COC(=O)[C@@H](NCc1ccc(Cl)cc1O)c1ccccc1F ZINC001658926250 1196320164 /nfs/dbraw/zinc/32/01/64/1196320164.db2.gz WPXHNEZDAVFCKV-HNNXBMFYSA-N 0 0 323.751 3.189 20 10 DGCDRN C[C@H](O)C[N@H+](Cc1ccccc1)Cc1cc(F)c(F)cc1[O-] ZINC001659140956 1196350488 /nfs/dbraw/zinc/35/04/88/1196350488.db2.gz OHGDEYDGSRAKHJ-LBPRGKRZSA-N 0 0 307.340 3.053 20 10 DGCDRN CCOC(=O)c1ccc(CN2CCCc3cc(OC)ccc32)[nH]1 ZINC001659383260 1196377891 /nfs/dbraw/zinc/37/78/91/1196377891.db2.gz SHNOBNVHZPFZLY-UHFFFAOYSA-N 0 0 314.385 3.153 20 10 DGCDRN CC(C)OC[C@@H]1CN(Cc2cc(C(C)C)ccc2O)CCO1 ZINC001659509631 1196390211 /nfs/dbraw/zinc/39/02/11/1196390211.db2.gz DUUCKNDPKQZGHO-KRWDZBQOSA-N 0 0 307.434 3.141 20 10 DGCDRN CO[C@@](C)(C[NH2+]Cc1cc(F)c(F)cc1[O-])c1ccccc1 ZINC001659827013 1196418491 /nfs/dbraw/zinc/41/84/91/1196418491.db2.gz OBFVEZROLLCIHL-KRWDZBQOSA-N 0 0 307.340 3.322 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(F)c(F)cc1[O-])c1ccccc1[N+](=O)[O-] ZINC001659956250 1196432297 /nfs/dbraw/zinc/43/22/97/1196432297.db2.gz HFMMZHLGAVDGOW-VIFPVBQESA-N 0 0 308.284 3.429 20 10 DGCDRN Oc1cc(Cl)ccc1CNc1ccnn1[C@@H]1CCCOC1 ZINC001660160053 1196453023 /nfs/dbraw/zinc/45/30/23/1196453023.db2.gz UIDWFFSNQCXNDW-CYBMUJFWSA-N 0 0 307.781 3.206 20 10 DGCDRN Oc1c(F)cc(F)cc1CN1CCOc2cc(F)c(F)cc21 ZINC001660165483 1196453495 /nfs/dbraw/zinc/45/34/95/1196453495.db2.gz ALNQSUFKWJFMOR-UHFFFAOYSA-N 0 0 313.250 3.348 20 10 DGCDRN Cc1cc(O)c(CN2CCOc3ccc(O)cc3C2)cc1Cl ZINC001660335055 1196472281 /nfs/dbraw/zinc/47/22/81/1196472281.db2.gz TYEQJOFEOZOUCO-UHFFFAOYSA-N 0 0 319.788 3.454 20 10 DGCDRN CC(=O)c1cc(F)cc(C[N@@H+](C)C[C@]23CCC[C@H]2OCC3)c1[O-] ZINC001660682392 1196512250 /nfs/dbraw/zinc/51/22/50/1196512250.db2.gz CHWSXLDMLFDLAL-SJLPKXTDSA-N 0 0 321.392 3.125 20 10 DGCDRN COc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC001661183962 1196576773 /nfs/dbraw/zinc/57/67/73/1196576773.db2.gz SHXFLCCRTXHJAF-NSHDSACASA-N 0 0 302.330 3.160 20 10 DGCDRN COc1ccc(NCc2c(O)cccc2Br)c(C)n1 ZINC001662004807 1196673566 /nfs/dbraw/zinc/67/35/66/1196673566.db2.gz DUYXGSVWMRZYES-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN COc1ccccc1C[C@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001662346094 1196711481 /nfs/dbraw/zinc/71/14/81/1196711481.db2.gz YRABSFJHVCZTDA-NSHDSACASA-N 0 0 307.340 3.400 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)OC3CCCCC3)C2)cc1 ZINC001663060612 1196788280 /nfs/dbraw/zinc/78/82/80/1196788280.db2.gz JONDEAIGDYXSOC-CQSZACIVSA-N 0 0 318.417 3.333 20 10 DGCDRN CC(C)(C)CC[NH+]1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC001663657272 1196923340 /nfs/dbraw/zinc/92/33/40/1196923340.db2.gz MOASLYHIHVNTKN-UHFFFAOYSA-N 0 0 312.404 3.224 20 10 DGCDRN C[N@H+](CCOc1ccc(F)cc1)Cc1ccc(F)c(F)c1[O-] ZINC001664092194 1196971115 /nfs/dbraw/zinc/97/11/15/1196971115.db2.gz ZPLZMDZRSPRBGV-UHFFFAOYSA-N 0 0 311.303 3.320 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1c2c(nn1C)CCCC2 ZINC001664222309 1196981589 /nfs/dbraw/zinc/98/15/89/1196981589.db2.gz UEGNUAPQWQSSEY-UHFFFAOYSA-N 0 0 311.429 3.260 20 10 DGCDRN C[C@H](NC(=O)Nc1ccc(N(C)C)c(F)c1)c1ccccc1O ZINC001664259840 1196984731 /nfs/dbraw/zinc/98/47/31/1196984731.db2.gz BTWPROWMNHOMFP-NSHDSACASA-N 0 0 317.364 3.480 20 10 DGCDRN COc1ccc2c(c1)CC[N@@H+](Cc1cc(F)c(F)cc1[O-])CC2 ZINC001664350198 1196991217 /nfs/dbraw/zinc/99/12/17/1196991217.db2.gz KOEHKYXHLNADRE-UHFFFAOYSA-N 0 0 319.351 3.280 20 10 DGCDRN C[N@H+](Cc1c([O-])ccc(Cl)c1F)[C@@H](CO)CC(C)(C)C ZINC001664734480 1197045459 /nfs/dbraw/zinc/04/54/59/1197045459.db2.gz NUNTWOYFLLJZMV-SNVBAGLBSA-N 0 0 303.805 3.414 20 10 DGCDRN Cn1ccnc1[C@@H]1N(Cc2ccc(Cl)cc2O)CC1(C)C ZINC001664780471 1197056286 /nfs/dbraw/zinc/05/62/86/1197056286.db2.gz DWQCRSFJNLNWFR-AWEZNQCLSA-N 0 0 305.809 3.362 20 10 DGCDRN COc1ccc(SCC[NH2+]Cc2c([O-])cccc2F)cc1 ZINC001665712727 1197179668 /nfs/dbraw/zinc/17/96/68/1197179668.db2.gz SQCSVSGCBORKQN-UHFFFAOYSA-N 0 0 307.390 3.422 20 10 DGCDRN CCc1cnc(NC(=O)NCc2cccc(Cl)c2O)s1 ZINC001667377454 1197342133 /nfs/dbraw/zinc/34/21/33/1197342133.db2.gz VDWDWALMFFFGEI-UHFFFAOYSA-N 0 0 311.794 3.386 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N[C@@]3(C)CC=CCC3)ccc21 ZINC001667587910 1197365706 /nfs/dbraw/zinc/36/57/06/1197365706.db2.gz KGZRYXWMPBVZQQ-IBGZPJMESA-N 0 0 313.445 3.367 20 10 DGCDRN O=C(NCc1c(O)cccc1F)Nc1ccc2ncsc2c1 ZINC001668587382 1197420761 /nfs/dbraw/zinc/42/07/61/1197420761.db2.gz FFYGLPQOBWGBJW-UHFFFAOYSA-N 0 0 317.345 3.463 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@]1(C)C[C@H]2C[C@H]2C1 ZINC001668783972 1197429791 /nfs/dbraw/zinc/42/97/91/1197429791.db2.gz KVJBLRJAYRVUPT-HGKCTWBKSA-N 0 0 315.461 3.296 20 10 DGCDRN C[C@@H](NC(=O)NCCc1cccc(F)c1F)c1ccccc1O ZINC001668871496 1197433013 /nfs/dbraw/zinc/43/30/13/1197433013.db2.gz GYROPZPMZZVIEN-LLVKDONJSA-N 0 0 320.339 3.273 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CC=CCC1 ZINC001669294278 1197448057 /nfs/dbraw/zinc/44/80/57/1197448057.db2.gz MPNOSDOSRJJXBU-DOTOQJQBSA-N 0 0 315.461 3.400 20 10 DGCDRN C[C@@H](NC(=O)Nc1ccc(OC(F)F)cn1)c1ccccc1O ZINC001672248201 1197601412 /nfs/dbraw/zinc/60/14/12/1197601412.db2.gz OCAHMNSKAAZWIK-SECBINFHSA-N 0 0 323.299 3.271 20 10 DGCDRN CC(C)Oc1ncccc1NC(=O)NCc1c(O)cccc1F ZINC001673467501 1197664197 /nfs/dbraw/zinc/66/41/97/1197664197.db2.gz GMLIKDUJQSSIPZ-UHFFFAOYSA-N 0 0 319.336 3.035 20 10 DGCDRN O=C(NCc1c(O)cccc1F)Nc1ccc2ccccc2n1 ZINC001673518598 1197670500 /nfs/dbraw/zinc/67/05/00/1197670500.db2.gz WVXGBZDVODTZIA-UHFFFAOYSA-N 0 0 311.316 3.401 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC[C@@H](C)C1 ZINC001673738104 1197688242 /nfs/dbraw/zinc/68/82/42/1197688242.db2.gz UYHINURUDMNYPD-ZBFHGGJFSA-N 0 0 317.477 3.434 20 10 DGCDRN CCc1ccc(NC(=O)NCc2ccc(N(C)C)cc2C)nc1 ZINC001674068787 1197728246 /nfs/dbraw/zinc/72/82/46/1197728246.db2.gz MCJATGVDPBDMNY-UHFFFAOYSA-N 0 0 312.417 3.340 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCC2C(C)(C)C2(C)C)cc1F ZINC001676247311 1198261449 /nfs/dbraw/zinc/26/14/49/1198261449.db2.gz NRKFVTHBMSYRBW-UHFFFAOYSA-N 0 0 321.440 3.373 20 10 DGCDRN CCc1ccc(NC(=O)NCc2ccccc2O)cc1OC ZINC001677648757 1198567517 /nfs/dbraw/zinc/56/75/17/1198567517.db2.gz ASGXNFMZMLRQQI-UHFFFAOYSA-N 0 0 300.358 3.285 20 10 DGCDRN CSCC(C)(C)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC001677847867 1198593959 /nfs/dbraw/zinc/59/39/59/1198593959.db2.gz SJLTUZPXUVWSOR-UHFFFAOYSA-N 0 0 321.490 3.010 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N3C[C@H]4CCCC[C@H]43)ccc21 ZINC001677847339 1198594717 /nfs/dbraw/zinc/59/47/17/1198594717.db2.gz GVQYSNYPCGPHDJ-SJLPKXTDSA-N 0 0 313.445 3.153 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CCC[C@@H]1C ZINC001678493351 1198689365 /nfs/dbraw/zinc/68/93/65/1198689365.db2.gz KCDBMHXORJZYSM-DHSIGJKJSA-N 0 0 317.477 3.480 20 10 DGCDRN Cc1cc(F)ccc1CCNC(=O)NCc1c(O)cccc1F ZINC001679988455 1198847071 /nfs/dbraw/zinc/84/70/71/1198847071.db2.gz AVDVMLTZESRQBS-UHFFFAOYSA-N 0 0 320.339 3.021 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C)c1ccc(N(C)C)cc1 ZINC001680281302 1198871161 /nfs/dbraw/zinc/87/11/61/1198871161.db2.gz YHAZRISTAVLPAM-YUNRHHNCSA-N 0 0 301.434 3.157 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1C=CCCC1 ZINC001680385875 1198876512 /nfs/dbraw/zinc/87/65/12/1198876512.db2.gz XRYPHLQDDKIDTG-RDJZCZTQSA-N 0 0 315.461 3.400 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H]1C=CCCC1 ZINC001680386176 1198876838 /nfs/dbraw/zinc/87/68/38/1198876838.db2.gz XRYPHLQDDKIDTG-WBVHZDCISA-N 0 0 315.461 3.400 20 10 DGCDRN O=C(NCc1coc2ccccc12)NCc1c(O)cccc1F ZINC001682774726 1199193584 /nfs/dbraw/zinc/19/35/84/1199193584.db2.gz WRGWAEHIIGJPGZ-UHFFFAOYSA-N 0 0 314.316 3.277 20 10 DGCDRN CC[C@H](NC(=O)NCc1ccccc1O)c1ccccc1F ZINC001683586036 1199284868 /nfs/dbraw/zinc/28/48/68/1199284868.db2.gz MIQHTSHMTULIFN-HNNXBMFYSA-N 0 0 302.349 3.482 20 10 DGCDRN C[C@@H](NC(=O)NCc1cccc2[nH]ccc21)c1ccccc1O ZINC001683639486 1199287514 /nfs/dbraw/zinc/28/75/14/1199287514.db2.gz RYUTYJFKPNAXCS-GFCCVEGCSA-N 0 0 309.369 3.434 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC001684056464 1199334899 /nfs/dbraw/zinc/33/48/99/1199334899.db2.gz XLXGEKQRLFSUEG-GMXVVIOVSA-N 0 0 308.809 3.281 20 10 DGCDRN Cc1nnc(N(C)Cc2ccccc2O)n1[C@@H]1C[C@H]1C(C)C ZINC001742755224 1201276035 /nfs/dbraw/zinc/27/60/35/1201276035.db2.gz ZOOKQFOVXCYXMQ-LSDHHAIUSA-N 0 0 300.406 3.146 20 10 DGCDRN CN(Cc1ccccc1O)c1nnc(C2CC2)n1CC1(C)CC1 ZINC001711095682 1202596542 /nfs/dbraw/zinc/59/65/42/1202596542.db2.gz UUGZSTMYVDFORA-UHFFFAOYSA-N 0 0 312.417 3.298 20 10 DGCDRN Cc1ccc(NC(=O)Cc2ccc(N)cc2)cc1OC(F)F ZINC000158587161 1202603762 /nfs/dbraw/zinc/60/37/62/1202603762.db2.gz IEIVAVCHPVLSPT-UHFFFAOYSA-N 0 0 306.312 3.360 20 10 DGCDRN CC(C)OC[C@@H](O)CNc1ccccc1C(=O)c1ccccc1 ZINC000192587154 1203289253 /nfs/dbraw/zinc/28/92/53/1203289253.db2.gz RKSORBIXNJDAIP-INIZCTEOSA-N 0 0 313.397 3.115 20 10 DGCDRN CCCn1c(C2CCC2)nnc1N(C)Cc1ccccc1O ZINC001728114089 1204322685 /nfs/dbraw/zinc/32/26/85/1204322685.db2.gz CJGBYUDBWVPVAV-UHFFFAOYSA-N 0 0 300.406 3.298 20 10 DGCDRN CC(C)C[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)C(=O)[O-] ZINC001118085797 957158745 /nfs/dbraw/zinc/15/87/45/957158745.db2.gz LUXDCWFXIIJMOK-INIZCTEOSA-N 0 0 304.434 3.123 20 10 DGCDRN Cc1cc(O)c(C[N@@H+]2CCC[C@@H](CCC(=O)[O-])C2)c(Cl)c1 ZINC001594327277 958184814 /nfs/dbraw/zinc/18/48/14/958184814.db2.gz VQXRLPHBMAXIIE-LBPRGKRZSA-N 0 0 311.809 3.431 20 10 DGCDRN Cc1c2ccccc2n(C)c1C[NH2+]Cc1cccc(C(=O)[O-])c1 ZINC001594261961 959699541 /nfs/dbraw/zinc/69/95/41/959699541.db2.gz MSRCJOQLOLSFLY-UHFFFAOYSA-N 0 0 308.381 3.475 20 10 DGCDRN O=C([O-])c1ccc(C[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC000076273273 967561094 /nfs/dbraw/zinc/56/10/94/967561094.db2.gz BOUUSSCMYQNIEI-UHFFFAOYSA-N 0 0 310.397 3.275 20 10 DGCDRN Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]C1CCC(C(=O)[O-])CC1 ZINC000316409340 967979878 /nfs/dbraw/zinc/97/98/78/967979878.db2.gz YXXSJHTVZWECIR-ABXWRUBCSA-N 0 0 303.402 3.482 20 10 DGCDRN CC[C@H]([NH2+]Cc1ccc(Cl)c(C(=O)[O-])n1)c1ccccc1O ZINC001595301402 980437735 /nfs/dbraw/zinc/43/77/35/980437735.db2.gz ZDXYOECDIMXGHY-ZDUSSCGKSA-N 0 0 320.776 3.380 20 10 DGCDRN CCC[N@H+](Cc1cc(C(=O)[O-])c(C)n1C)Cc1ccccc1O ZINC001595890754 982922339 /nfs/dbraw/zinc/92/23/39/982922339.db2.gz CHKBCXVFSWDTSR-UHFFFAOYSA-N 0 0 316.401 3.150 20 10 DGCDRN CCCC[N@H+](Cc1c[nH]c(C(=O)[O-])c1)Cc1ccccc1O ZINC001574494414 983251993 /nfs/dbraw/zinc/25/19/93/983251993.db2.gz UREXYECVGMZOOJ-UHFFFAOYSA-N 0 0 302.374 3.221 20 10 DGCDRN CCN(C)c1ccc(C[N@@H+]2CCc3cc(C(=O)[O-])ccc3C2)cc1 ZINC001596194337 983576982 /nfs/dbraw/zinc/57/69/82/983576982.db2.gz IXMDKIWKTIIKGN-UHFFFAOYSA-N 0 0 324.424 3.399 20 10 DGCDRN CN(C)c1ccc(C[N@H+](C)C(C)(C)C(=O)[O-])c(C(F)(F)F)c1 ZINC001598318099 991311697 /nfs/dbraw/zinc/31/16/97/991311697.db2.gz VYRUJFLMJNUIIW-UHFFFAOYSA-N 0 0 318.339 3.066 20 10 DGCDRN COc1ccc(O)c([C@@H](C)[NH2+][C@H](C(=O)[O-])c2ccccc2C)c1 ZINC001599598814 993785606 /nfs/dbraw/zinc/78/56/06/993785606.db2.gz UOGDYZXQZPFCMF-PXAZEXFGSA-N 0 0 315.369 3.186 20 10 DGCDRN C[C@H]([NH2+]CC(C)(C)C1(O)CCCC1)c1cc(C(=O)[O-])ccc1O ZINC001593239924 994425704 /nfs/dbraw/zinc/42/57/04/994425704.db2.gz IJGUJVIWNLWLHI-LBPRGKRZSA-N 0 0 321.417 3.072 20 10 DGCDRN C[C@@H]([NH2+]CCc1ccc(F)c(F)c1)c1cc(C(=O)[O-])ccc1O ZINC001593275386 994628959 /nfs/dbraw/zinc/62/89/59/994628959.db2.gz SHRPSJZIDKTDHD-SNVBAGLBSA-N 0 0 321.323 3.262 20 10 DGCDRN C[C@H]([NH2+]CCc1ccc(F)c(F)c1)c1cc(C(=O)[O-])ccc1O ZINC001593275383 994629020 /nfs/dbraw/zinc/62/90/20/994629020.db2.gz SHRPSJZIDKTDHD-JTQLQIEISA-N 0 0 321.323 3.262 20 10 DGCDRN C[C@@]([NH2+]Cc1ccc(N2CCCC2)cc1)(C(=O)[O-])c1ccccc1 ZINC001593299760 994724505 /nfs/dbraw/zinc/72/45/05/994724505.db2.gz VKWUHYVQJDOWOX-FQEVSTJZSA-N 0 0 324.424 3.376 20 10 DGCDRN COCC[C@H]([NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O)c1ccco1 ZINC001599219140 997635734 /nfs/dbraw/zinc/63/57/34/997635734.db2.gz WPBWLDHDZBGMPD-RISCZKNCSA-N 0 0 319.357 3.112 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C[C@H]1F ZINC001594422729 999575400 /nfs/dbraw/zinc/57/54/00/999575400.db2.gz IQVCOBSOOIDZHT-QMTHXVAHSA-N 0 0 322.355 3.196 20 10 DGCDRN COc1cc(O)c(CN2CCC[C@@H]2CF)cc1Br ZINC001233141192 1098236668 /nfs/dbraw/zinc/23/66/68/1098236668.db2.gz DGSBJTGXNWDUKO-SNVBAGLBSA-N 0 0 318.186 3.097 20 10 DGCDRN CO[C@H]1CC[C@H](C)[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000687217327 1103082967 /nfs/dbraw/zinc/08/29/67/1103082967.db2.gz RHTGBGQYNYEDIA-JQWIXIFHSA-N 0 0 314.223 3.154 20 10 DGCDRN COc1ccc2c(c1)CCN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001625821470 1081675228 /nfs/dbraw/zinc/67/52/28/1081675228.db2.gz OZVAJXFCYHTYCJ-UHFFFAOYSA-N 0 0 324.340 3.061 20 10 DGCDRN COc1cc(F)cc2ccc(NCc3ccc(O)c(O)c3)nc21 ZINC001169990453 1081791985 /nfs/dbraw/zinc/79/19/85/1081791985.db2.gz GCGZPRCYBRGBFP-UHFFFAOYSA-N 0 0 314.316 3.406 20 10 DGCDRN Oc1ccc(CNc2c(Cl)nnc(Cl)c2Cl)cc1O ZINC001169990269 1081792464 /nfs/dbraw/zinc/79/24/64/1081792464.db2.gz DNHMDYDGNIFMII-UHFFFAOYSA-N 0 0 320.563 3.460 20 10 DGCDRN Oc1ccc(CNc2cc(Cl)nc(C(F)(F)F)n2)cc1O ZINC001169993220 1081804368 /nfs/dbraw/zinc/80/43/68/1081804368.db2.gz IHGNMWSMFORDJV-UHFFFAOYSA-N 0 0 319.670 3.172 20 10 DGCDRN Oc1ccc(CNc2ccc(OCc3ccccc3)nn2)cc1O ZINC001169993318 1081805518 /nfs/dbraw/zinc/80/55/18/1081805518.db2.gz LUIKMMWYUYLQDQ-UHFFFAOYSA-N 0 0 323.352 3.079 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC001167293953 1081913244 /nfs/dbraw/zinc/91/32/44/1081913244.db2.gz WCCHGNGQEVVYIW-UHFFFAOYSA-N 0 0 314.341 3.156 20 10 DGCDRN COc1cccc2[nH]cc(CC(=O)NCc3cc(C)ccc3O)c21 ZINC001167293463 1081913343 /nfs/dbraw/zinc/91/33/43/1081913343.db2.gz FCFHOKNUDMVGIB-UHFFFAOYSA-N 0 0 324.380 3.049 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@H](O)C2CCCCCCC2)c1 ZINC001167293383 1081913359 /nfs/dbraw/zinc/91/33/59/1081913359.db2.gz AKENQCKDQOPNSP-QGZVFWFLSA-N 0 0 305.418 3.038 20 10 DGCDRN C[C@H](NC(=O)C(=O)c1ccc(Cl)s1)c1ccccc1O ZINC001648892359 1081955978 /nfs/dbraw/zinc/95/59/78/1081955978.db2.gz XGCIRVQLKJITKW-QMMMGPOBSA-N 0 0 309.774 3.167 20 10 DGCDRN Cc1ccccc1-n1cc(C(=O)N[C@@H](C)c2ccccc2O)cn1 ZINC001648892219 1081956080 /nfs/dbraw/zinc/95/60/80/1081956080.db2.gz RACOZLHMYZELLP-AWEZNQCLSA-N 0 0 321.380 3.377 20 10 DGCDRN Cc1nn(-c2ccccc2)cc1C(=O)N[C@@H](C)c1ccccc1O ZINC001648892411 1081956090 /nfs/dbraw/zinc/95/60/90/1081956090.db2.gz ZVWJHQZUUSMDOX-ZDUSSCGKSA-N 0 0 321.380 3.377 20 10 DGCDRN COc1cc2c(cn1)CCN(Cc1c(O)cccc1Cl)C2 ZINC001140342344 1082146292 /nfs/dbraw/zinc/14/62/92/1082146292.db2.gz FPQVIYGGEQVGNE-UHFFFAOYSA-N 0 0 304.777 3.008 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCc1ccc(Cl)cc1 ZINC000588403380 1082146946 /nfs/dbraw/zinc/14/69/46/1082146946.db2.gz IKNFTBSCXKLESD-YWEYNIOJSA-N 0 0 317.772 3.123 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccccc1OC(F)F ZINC000588403594 1082147351 /nfs/dbraw/zinc/14/73/51/1082147351.db2.gz PKCYOCYWQOXJLO-VURMDHGXSA-N 0 0 321.279 3.351 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCSc1ccccc1 ZINC000588403593 1082147641 /nfs/dbraw/zinc/14/76/41/1082147641.db2.gz MSAHCDXQWIXGGR-CLFYSBASSA-N 0 0 315.394 3.020 20 10 DGCDRN COc1c(F)cc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1F ZINC000588403907 1082147703 /nfs/dbraw/zinc/14/77/03/1082147703.db2.gz HDPOLICNSSZVER-HYXAFXHYSA-N 0 0 321.279 3.037 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cc(F)c(F)cc1F ZINC000588404176 1082148119 /nfs/dbraw/zinc/14/81/19/1082148119.db2.gz YPYIJUKZOISYLA-RQOWECAXSA-N 0 0 309.243 3.167 20 10 DGCDRN C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1cccc(F)c1F ZINC000588407846 1082162653 /nfs/dbraw/zinc/16/26/53/1082162653.db2.gz FMOFEPYSTJUMPC-ZEBCKKTISA-N 0 0 319.307 3.267 20 10 DGCDRN C/C(=C/c1ccco1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001125534120 1082237068 /nfs/dbraw/zinc/23/70/68/1082237068.db2.gz CLVXFUCMFFTPEB-XFXZXTDPSA-N 0 0 302.349 3.204 20 10 DGCDRN Oc1cc(Cl)ccc1CN1CCO[C@@H](c2ccccn2)C1 ZINC001140466062 1082279101 /nfs/dbraw/zinc/27/91/01/1082279101.db2.gz VRNFRBYSHYVJPR-MRXNPFEDSA-N 0 0 304.777 3.014 20 10 DGCDRN Oc1cc(Cl)ccc1CN1CCc2nc(Cl)ncc2C1 ZINC001140467245 1082287021 /nfs/dbraw/zinc/28/70/21/1082287021.db2.gz RKPQOYOYLXJSJD-UHFFFAOYSA-N 0 0 310.184 3.047 20 10 DGCDRN CC1(C)COc2ccc(NCC(=O)c3ccc(O)c(O)c3)cc21 ZINC001170320673 1082345479 /nfs/dbraw/zinc/34/54/79/1082345479.db2.gz ILEKPBLSEYACBO-UHFFFAOYSA-N 0 0 313.353 3.063 20 10 DGCDRN CCOC(=O)[C@H](Cc1ccc(F)cc1)Nc1ccccc1NC ZINC001170405608 1082367680 /nfs/dbraw/zinc/36/76/80/1082367680.db2.gz ZCRJIDAOFCLXNX-KRWDZBQOSA-N 0 0 316.376 3.454 20 10 DGCDRN COc1cc(C)c(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1F ZINC000588511079 1082519009 /nfs/dbraw/zinc/51/90/09/1082519009.db2.gz FQNDPHQKZKKLPT-XQRVVYSFSA-N 0 0 317.316 3.206 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC1(Cc2ccccc2)CC1 ZINC000588511240 1082519072 /nfs/dbraw/zinc/51/90/72/1082519072.db2.gz UCWBGPUIHMMAJI-CLFYSBASSA-N 0 0 309.365 3.003 20 10 DGCDRN CO[C@@]1(C)C[C@H]1NC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC001167571284 1082534263 /nfs/dbraw/zinc/53/42/63/1082534263.db2.gz QVJGGPMTZRLIGJ-MJGOQNOKSA-N 0 0 312.413 3.310 20 10 DGCDRN O=C(/C=C\c1cccnc1)N1CCN(C2CC2)c2ccccc21 ZINC000588527812 1082564173 /nfs/dbraw/zinc/56/41/73/1082564173.db2.gz OXKGWIAJDZNKIG-YFHOEESVSA-N 0 0 305.381 3.110 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1ccc(F)c(F)c1F)CCC2 ZINC001137941637 1082623593 /nfs/dbraw/zinc/62/35/93/1082623593.db2.gz ZNJRBWXWCVJHPN-UHFFFAOYSA-N 0 0 323.314 3.464 20 10 DGCDRN C/C=C(/CC)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000588566646 1082644453 /nfs/dbraw/zinc/64/44/53/1082644453.db2.gz AEBWUFJJUCXLTA-CPSFFCFKSA-N 0 0 302.418 3.137 20 10 DGCDRN Cc1cc(CNC(=O)[C@@H]2C[C@H]2F)c(C)n1-c1cccc(C)c1 ZINC001132043734 1082801059 /nfs/dbraw/zinc/80/10/59/1082801059.db2.gz LVUYQOZUPQEWNT-IAGOWNOFSA-N 0 0 300.377 3.377 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000690798854 1083166530 /nfs/dbraw/zinc/16/65/30/1083166530.db2.gz KQCRXBWVCODSCW-MWLCHTKSSA-N 0 0 302.201 3.167 20 10 DGCDRN C/C(=C/C(=O)N(CC(F)(F)F)c1ccccc1)c1cnccn1 ZINC001125864870 1083287374 /nfs/dbraw/zinc/28/73/74/1083287374.db2.gz GYUDUFRDCJJZCS-XFXZXTDPSA-N 0 0 321.302 3.475 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)C[C@@H]1CCOC1 ZINC001180929159 1083370283 /nfs/dbraw/zinc/37/02/83/1083370283.db2.gz BOBYZYJFVQINPM-UGSOOPFHSA-N 0 0 317.429 3.175 20 10 DGCDRN CCCCC[C@@H](NCc1ccc2c(c1)CCCO2)C(=O)OC ZINC001180961476 1083377335 /nfs/dbraw/zinc/37/73/35/1083377335.db2.gz CNTRDEJGLCNJKF-MRXNPFEDSA-N 0 0 305.418 3.223 20 10 DGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)[C@H]2CCCC[C@@H]2O)cc1 ZINC001181085032 1083399218 /nfs/dbraw/zinc/39/92/18/1083399218.db2.gz GYVSLERVZOULIK-OALUTQOASA-N 0 0 324.424 3.353 20 10 DGCDRN CCOC(C)(C)C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001181153267 1083421790 /nfs/dbraw/zinc/42/17/90/1083421790.db2.gz YUZIVSBVTCQBHG-UHFFFAOYSA-N 0 0 322.792 3.025 20 10 DGCDRN CCc1ccc2c(c1)CCN(C(=O)/C=C/c1ccc(O)c(O)c1)C2 ZINC001181488546 1083476350 /nfs/dbraw/zinc/47/63/50/1083476350.db2.gz UODBVUPEYMVOAV-VMPITWQZSA-N 0 0 323.392 3.258 20 10 DGCDRN Cc1noc([C@H]2CCCCN2Cc2ccc(Cl)cc2O)n1 ZINC001181647997 1083506429 /nfs/dbraw/zinc/50/64/29/1083506429.db2.gz YREVADUVOHZYGL-CYBMUJFWSA-N 0 0 307.781 3.464 20 10 DGCDRN Cc1noc(-c2ccc(NCc3cc(F)c(F)cc3O)cn2)n1 ZINC001181871746 1083565417 /nfs/dbraw/zinc/56/54/17/1083565417.db2.gz YBMULNVYWKVBMA-UHFFFAOYSA-N 0 0 318.283 3.036 20 10 DGCDRN COCC(C)(C)C(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001181945583 1083588747 /nfs/dbraw/zinc/58/87/47/1083588747.db2.gz DZMBGTDPOHLPRE-INIZCTEOSA-N 0 0 319.445 3.421 20 10 DGCDRN COCC(C)(C)C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001181948646 1083590505 /nfs/dbraw/zinc/59/05/05/1083590505.db2.gz WPICRQJGTKODAE-UHFFFAOYSA-N 0 0 312.413 3.475 20 10 DGCDRN CC(C)c1cccnc1NC(=O)CCc1ccc(O)c(O)c1 ZINC001182154850 1083634552 /nfs/dbraw/zinc/63/45/52/1083634552.db2.gz OPSSSYQFSOZZTK-UHFFFAOYSA-N 0 0 300.358 3.188 20 10 DGCDRN O=C(CCc1ccc(O)c(O)c1)N[C@@H]1CCCc2ccccc21 ZINC001182153897 1083634874 /nfs/dbraw/zinc/63/48/74/1083634874.db2.gz OZGNORKZVVUKAC-MRXNPFEDSA-N 0 0 311.381 3.224 20 10 DGCDRN O=C1CCN(Cc2ccc(Cl)cc2O)c2ccccc2N1 ZINC001182160715 1083636875 /nfs/dbraw/zinc/63/68/75/1083636875.db2.gz KPCNZBHZXIMYPJ-UHFFFAOYSA-N 0 0 302.761 3.394 20 10 DGCDRN C[C@H](CC(=O)c1ccccc1)C(=O)N1CCc2cccc(O)c2C1 ZINC001182166742 1083637650 /nfs/dbraw/zinc/63/76/50/1083637650.db2.gz FYTMSGAIZWKBQH-CQSZACIVSA-N 0 0 323.392 3.186 20 10 DGCDRN COc1cc(CC(=O)NCc2c(C)cc(C)cc2O)ccc1C ZINC001182306713 1083683703 /nfs/dbraw/zinc/68/37/03/1083683703.db2.gz ONXFGQKKSPFORU-UHFFFAOYSA-N 0 0 313.397 3.185 20 10 DGCDRN CSC[C@@H](C)C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001183216284 1083900421 /nfs/dbraw/zinc/90/04/21/1083900421.db2.gz FHZQPHCDXLGHRR-SECBINFHSA-N 0 0 324.833 3.209 20 10 DGCDRN CNC(=O)N(C)c1ccc(NCc2cccc(Cl)c2O)cc1 ZINC001183551139 1083967723 /nfs/dbraw/zinc/96/77/23/1083967723.db2.gz OXTJTKCBRLAJHN-UHFFFAOYSA-N 0 0 319.792 3.433 20 10 DGCDRN [O-]c1c(C[N@@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)ccc(F)c1F ZINC001183801439 1084035224 /nfs/dbraw/zinc/03/52/24/1084035224.db2.gz RCEBOHVYHFGYML-KDOFPFPSSA-N 0 0 301.336 3.444 20 10 DGCDRN C[N@H+](CCc1ccc2c(c1)OCO2)Cc1cccc(Cl)c1[O-] ZINC001183844584 1084041778 /nfs/dbraw/zinc/04/17/78/1084041778.db2.gz LHNVHHIGGVEFTJ-UHFFFAOYSA-N 0 0 319.788 3.449 20 10 DGCDRN [O-]c1cccc(F)c1C[NH2+]Cc1ccc2c(c1)OC(F)(F)O2 ZINC001183920330 1084067119 /nfs/dbraw/zinc/06/71/19/1084067119.db2.gz WXRPLAXFBZNFRF-UHFFFAOYSA-N 0 0 311.259 3.143 20 10 DGCDRN O=C(CCCC1CCCCC1)NCC(=O)c1ccc(O)c(O)c1 ZINC001184224699 1084128374 /nfs/dbraw/zinc/12/83/74/1084128374.db2.gz IXJQCSMRSAZQNF-UHFFFAOYSA-N 0 0 319.401 3.147 20 10 DGCDRN CC(=O)[C@@H](C)CC(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001184340852 1084164185 /nfs/dbraw/zinc/16/41/85/1084164185.db2.gz HRTSWJRFRLQLQL-AWEZNQCLSA-N 0 0 310.397 3.417 20 10 DGCDRN C[C@]1(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)CCOC1 ZINC001184393742 1084169965 /nfs/dbraw/zinc/16/99/65/1084169965.db2.gz SXPYWKYTZOPLGP-IBGZPJMESA-N 0 0 310.397 3.229 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@]1(C)CCOC1 ZINC001184418689 1084179263 /nfs/dbraw/zinc/17/92/63/1084179263.db2.gz MRSXALXXLYWDEY-QFBILLFUSA-N 0 0 317.429 3.175 20 10 DGCDRN CN(C)c1ccc([C@H](O)c2nc(-c3cccc(F)c3)no2)cc1 ZINC001211701359 1084225060 /nfs/dbraw/zinc/22/50/60/1084225060.db2.gz TVYZQXDJMOLLMB-HNNXBMFYSA-N 0 0 313.332 3.023 20 10 DGCDRN COc1ccccc1CNC(=O)NCc1c(C)cc(C)cc1O ZINC001186159703 1084603333 /nfs/dbraw/zinc/60/33/33/1084603333.db2.gz FOWBAOLEBUFZNK-UHFFFAOYSA-N 0 0 314.385 3.017 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)NCC1CC1 ZINC001186644494 1084684193 /nfs/dbraw/zinc/68/41/93/1084684193.db2.gz XFDKJPJSIXQJHS-MRXNPFEDSA-N 0 0 302.418 3.342 20 10 DGCDRN CCON(CC1CCCCC1)C(=O)Cc1ccc(O)c(O)c1 ZINC001299177633 1086282503 /nfs/dbraw/zinc/28/25/03/1086282503.db2.gz STRYJVWCKFTXQU-UHFFFAOYSA-N 0 0 307.390 3.001 20 10 DGCDRN NC(=O)c1ccc(N(Cc2ccccc2)c2ccc(N)cc2)cn1 ZINC001203440557 1086298767 /nfs/dbraw/zinc/29/87/67/1086298767.db2.gz GDLLWAMJXFRQBD-UHFFFAOYSA-N 0 0 318.380 3.101 20 10 DGCDRN CCn1ccc2cc(NCCc3cc(O)c(O)cc3O)ccc21 ZINC001168017771 1086321784 /nfs/dbraw/zinc/32/17/84/1086321784.db2.gz VMSSCXGFWJVNJI-UHFFFAOYSA-N 0 0 312.369 3.433 20 10 DGCDRN C[C@H](NC(=O)/C=C/c1ccc(Cl)nc1)c1ccccc1O ZINC001151900262 1087818363 /nfs/dbraw/zinc/81/83/63/1087818363.db2.gz NJOWNHLIRBBHSV-DJYGCBNOSA-N 0 0 302.761 3.331 20 10 DGCDRN CC1(C)CCC[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000176513389 1087882376 /nfs/dbraw/zinc/88/23/76/1087882376.db2.gz IHBDOTNRSYYINT-QGZVFWFLSA-N 0 0 313.445 3.441 20 10 DGCDRN Cc1nc2ccc(C(=O)N3CCc4cccc(O)c4C3)cc2o1 ZINC001152115541 1087900871 /nfs/dbraw/zinc/90/08/71/1087900871.db2.gz LKVMQYFPSWILGE-UHFFFAOYSA-N 0 0 308.337 3.040 20 10 DGCDRN Cc1cc(OCC(=O)N2Cc3cccc(O)c3C2)ccc1Cl ZINC001152565459 1088005054 /nfs/dbraw/zinc/00/50/54/1088005054.db2.gz LXVBROCBOFDHFM-UHFFFAOYSA-N 0 0 317.772 3.275 20 10 DGCDRN COC(=O)c1ccc2nc(NCc3ccc(O)c(O)c3)ccc2c1 ZINC001158995485 1088126040 /nfs/dbraw/zinc/12/60/40/1088126040.db2.gz GNFWERLCIXOZCG-UHFFFAOYSA-N 0 0 324.336 3.045 20 10 DGCDRN Cc1nc(C2CC2)nc(Cl)c1NCc1ccc(O)c(O)c1 ZINC001158997516 1088126581 /nfs/dbraw/zinc/12/65/81/1088126581.db2.gz KLDFVKCQPQRJIS-UHFFFAOYSA-N 0 0 305.765 3.339 20 10 DGCDRN Oc1ccc(CNc2cc(-c3nc(C4CC4)no3)ccn2)cc1O ZINC001159004147 1088133491 /nfs/dbraw/zinc/13/34/91/1088133491.db2.gz FGUMVRCWTLRQJO-UHFFFAOYSA-N 0 0 324.340 3.032 20 10 DGCDRN C[C@H](Oc1ccccc1F)C(=O)NCc1cccc(Cl)c1O ZINC001159033686 1088153708 /nfs/dbraw/zinc/15/37/08/1088153708.db2.gz LWBOWZJTYYBAAZ-JTQLQIEISA-N 0 0 323.751 3.268 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1OCCF ZINC001159083497 1088171437 /nfs/dbraw/zinc/17/14/37/1088171437.db2.gz DPNYITKUUIZGCE-SOFGYWHQSA-N 0 0 317.316 3.098 20 10 DGCDRN C[C@@H]1CCc2c(sc(Nc3ccc(N)cc3)c2C(N)=O)C1 ZINC001159147841 1088204197 /nfs/dbraw/zinc/20/41/97/1088204197.db2.gz VQHHOBLJCURABI-SECBINFHSA-N 0 0 301.415 3.298 20 10 DGCDRN O=c1[nH][nH]c(=O)c2c(Nc3ccc4c(c3)CCCN4)cccc12 ZINC001159615597 1088421208 /nfs/dbraw/zinc/42/12/08/1088421208.db2.gz ADGABFRTZNERID-UHFFFAOYSA-N 0 0 308.341 3.143 20 10 DGCDRN Cc1ccc(C(=O)Nc2cncc(C(F)(F)F)c2)c(O)c1O ZINC001159648191 1088432245 /nfs/dbraw/zinc/43/22/45/1088432245.db2.gz QVGRUDKZNOYVPT-UHFFFAOYSA-N 0 0 312.247 3.072 20 10 DGCDRN Cc1ccc(NCc2cc(Cl)c3cccnc3c2O)[n+]([O-])c1 ZINC001168522636 1088532341 /nfs/dbraw/zinc/53/23/41/1088532341.db2.gz HDWVMBRISZXXAP-UHFFFAOYSA-N 0 0 315.760 3.148 20 10 DGCDRN COc1cc(C(=O)N2CCc3cccc(O)c3C2)cc2[nH]ccc21 ZINC001154822515 1088777792 /nfs/dbraw/zinc/77/77/92/1088777792.db2.gz DUSJJLWMSPDNFQ-UHFFFAOYSA-N 0 0 322.364 3.081 20 10 DGCDRN CCN(Cc1ccccc1O)c1cc(Cl)nc2nc[nH]c21 ZINC001154890028 1088814033 /nfs/dbraw/zinc/81/40/33/1088814033.db2.gz OEJZBXVGTZMWNQ-UHFFFAOYSA-N 0 0 302.765 3.343 20 10 DGCDRN CCN(Cc1ccccc1O)C(F)(F)c1ccc(Cl)nn1 ZINC001154890358 1088814651 /nfs/dbraw/zinc/81/46/51/1088814651.db2.gz WVJDNSLMIZQLIV-UHFFFAOYSA-N 0 0 313.735 3.407 20 10 DGCDRN Cc1cc(C)c(CNc2ccc(-c3ccccn3)nn2)c(O)c1 ZINC001160811070 1088973580 /nfs/dbraw/zinc/97/35/80/1088973580.db2.gz DTQDOVFFJSPDMB-UHFFFAOYSA-N 0 0 306.369 3.473 20 10 DGCDRN Cc1cc(C)c(CNc2cncc(N3CCCCC3)n2)c(O)c1 ZINC001160810254 1088973600 /nfs/dbraw/zinc/97/36/00/1088973600.db2.gz OBNVNXPYYWRTNX-UHFFFAOYSA-N 0 0 312.417 3.401 20 10 DGCDRN COc1ccc(C2=CCN(C(=O)Cc3ccc(N)cc3)CC2)cc1 ZINC001161221173 1089158321 /nfs/dbraw/zinc/15/83/21/1089158321.db2.gz JWYCYDTWPMKBKI-UHFFFAOYSA-N 0 0 322.408 3.136 20 10 DGCDRN Cc1cccc2ncnc(N3CCCc4cc(O)c(O)cc4C3)c12 ZINC001155941163 1089306420 /nfs/dbraw/zinc/30/64/20/1089306420.db2.gz ILYAXPPVVGUJIS-UHFFFAOYSA-N 0 0 321.380 3.302 20 10 DGCDRN O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)c1c(F)ccc(O)c1O ZINC001161727418 1089374170 /nfs/dbraw/zinc/37/41/70/1089374170.db2.gz NQSFUWJXYMFPPC-TZMCWYRMSA-N 0 0 315.344 3.303 20 10 DGCDRN COc1cc(Cl)cc(C(=O)NCc2c(O)cccc2F)c1 ZINC001156170548 1089417078 /nfs/dbraw/zinc/41/70/78/1089417078.db2.gz PJGSQWMYKFODPA-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN Cc1cc2[nH]c(C(=O)NCc3ccc(O)cc3O)cc2c(C)c1 ZINC001162279302 1089652721 /nfs/dbraw/zinc/65/27/21/1089652721.db2.gz ZVBAILCJXYMWEF-UHFFFAOYSA-N 0 0 310.353 3.126 20 10 DGCDRN COc1cc(Cl)ncc1N(C)Cc1ccc(N(C)C)cc1 ZINC001156924064 1089746387 /nfs/dbraw/zinc/74/63/87/1089746387.db2.gz NSJJQJRQVOMRAN-UHFFFAOYSA-N 0 0 305.809 3.446 20 10 DGCDRN Cc1cnc2c(ccnc2N(C)Cc2ccc(N(C)C)cc2)n1 ZINC001156926907 1089748589 /nfs/dbraw/zinc/74/85/89/1089748589.db2.gz CUXWGFLTIRRINX-UHFFFAOYSA-N 0 0 307.401 3.036 20 10 DGCDRN C/C(=C\c1ccccn1)C(=O)NCc1ccc2cccnc2c1O ZINC001162612240 1089827720 /nfs/dbraw/zinc/82/77/20/1089827720.db2.gz FKOONDDDQGCMAU-ACCUITESSA-N 0 0 319.364 3.055 20 10 DGCDRN CC(C)c1ccc(C(=O)NCc2ccc3cccnc3c2O)cn1 ZINC001162612393 1089829299 /nfs/dbraw/zinc/82/92/99/1089829299.db2.gz ISFKLOOEIHPUDD-UHFFFAOYSA-N 0 0 321.380 3.389 20 10 DGCDRN COc1cc2nc(C)nc(NCc3ccc(N)cc3)c2cc1OC ZINC001162785606 1089954255 /nfs/dbraw/zinc/95/42/55/1089954255.db2.gz JUADJLVSAPTESE-UHFFFAOYSA-N 0 0 324.384 3.150 20 10 DGCDRN CC(C)(C)OC(=O)Nc1nccc(NCc2ccc(N)cc2)n1 ZINC001162784448 1089954401 /nfs/dbraw/zinc/95/44/01/1089954401.db2.gz NNBLKCKENMJPCZ-UHFFFAOYSA-N 0 0 315.377 3.018 20 10 DGCDRN COc1cccc(-c2ccnc(NCc3ccc(N)cc3)n2)c1 ZINC001162786442 1089955298 /nfs/dbraw/zinc/95/52/98/1089955298.db2.gz VZGGCFWBJRTJMU-UHFFFAOYSA-N 0 0 306.369 3.347 20 10 DGCDRN Cc1ccc(C(=O)N[C@H](C2CCC2)C2CCCC2)c(O)c1O ZINC001163013891 1090055971 /nfs/dbraw/zinc/05/59/71/1090055971.db2.gz IGUSRKZTGIMWHD-HNNXBMFYSA-N 0 0 303.402 3.495 20 10 DGCDRN COc1cc(NCc2cc(Cl)c3cccnc3c2O)ncn1 ZINC001157724660 1090088588 /nfs/dbraw/zinc/08/85/88/1090088588.db2.gz RMQUKALKAKZAIU-UHFFFAOYSA-N 0 0 316.748 3.005 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(NCCCc2c[nH][nH]c2=O)cc1 ZINC001164373688 1090417166 /nfs/dbraw/zinc/41/71/66/1090417166.db2.gz ALGMPNJHTILUGE-OAHLLOKOSA-N 0 0 310.401 3.018 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1cc2c(o1)CCCC2 ZINC001165508453 1090526749 /nfs/dbraw/zinc/52/67/49/1090526749.db2.gz ORBQHEZKLZDZSW-UHFFFAOYSA-N 0 0 305.761 3.447 20 10 DGCDRN Cc1ccc(Br)cc1-c1noc(-c2csnn2)n1 ZINC001212362029 1090574815 /nfs/dbraw/zinc/57/48/15/1090574815.db2.gz KPQUSZISUZQTCC-UHFFFAOYSA-N 0 0 323.175 3.326 20 10 DGCDRN Oc1ccccc1CN1CCc2ncc(C(F)(F)F)cc2C1 ZINC001203556212 1090599685 /nfs/dbraw/zinc/59/96/85/1090599685.db2.gz OHURDSPVAUVEIO-UHFFFAOYSA-N 0 0 308.303 3.364 20 10 DGCDRN CCOc1ccc(-c2noc(-c3nnsc3C)n2)c(F)c1F ZINC001212405371 1090626290 /nfs/dbraw/zinc/62/62/90/1090626290.db2.gz QMZRBEUFKPSOGH-UHFFFAOYSA-N 0 0 324.312 3.240 20 10 DGCDRN C[NH+](C)C[C@@]12C[C@@H]1CN(Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001203582029 1090761535 /nfs/dbraw/zinc/76/15/35/1090761535.db2.gz MZDRBCJMSKSZHB-IAQYHMDHSA-N 0 0 315.244 3.083 20 10 DGCDRN CCOc1cccc(CN2CC(F)(F)C[C@]2(C)CF)c1O ZINC001203603009 1090765428 /nfs/dbraw/zinc/76/54/28/1090765428.db2.gz FYDLBPJUTHISSD-CQSZACIVSA-N 0 0 303.324 3.360 20 10 DGCDRN Oc1ccc(Br)cc1CN1CC(F)(F)C[C@H]1CF ZINC001203636347 1090770916 /nfs/dbraw/zinc/77/09/16/1090770916.db2.gz UUUGCSYZFCRMBE-JTQLQIEISA-N 0 0 324.140 3.334 20 10 DGCDRN CCOC(=O)CN(Cc1cc(Cl)ccc1O)C1CCCC1 ZINC001203664369 1090775947 /nfs/dbraw/zinc/77/59/47/1090775947.db2.gz BHQFVOWWDFPYNY-UHFFFAOYSA-N 0 0 311.809 3.353 20 10 DGCDRN Oc1ccc(CN2CCSC[C@H]2c2ccccc2)cc1O ZINC001203882335 1090826233 /nfs/dbraw/zinc/82/62/33/1090826233.db2.gz HNSKEJUSEXRTJC-HNNXBMFYSA-N 0 0 301.411 3.388 20 10 DGCDRN Cc1ccc([C@@]2(C)CN(Cc3ccc(O)c(O)c3)CCO2)cc1 ZINC001203880240 1090826343 /nfs/dbraw/zinc/82/63/43/1090826343.db2.gz MVUXSXGDLKJXDD-LJQANCHMSA-N 0 0 313.397 3.154 20 10 DGCDRN Oc1ccc(CN2CCOC[C@H]2c2ccc(Cl)cc2)cc1O ZINC001203881932 1090826564 /nfs/dbraw/zinc/82/65/64/1090826564.db2.gz YMUYHUKDGYCCAR-HNNXBMFYSA-N 0 0 319.788 3.325 20 10 DGCDRN CN(C)c1ccc(CN2CCc3nc(Cl)ccc3C2)cc1 ZINC001203934420 1090842655 /nfs/dbraw/zinc/84/26/55/1090842655.db2.gz VQZBFRRWWOCSNO-UHFFFAOYSA-N 0 0 301.821 3.359 20 10 DGCDRN Oc1cccc(Cl)c1CNc1cn(-c2ccccc2)nn1 ZINC001204111226 1090903921 /nfs/dbraw/zinc/90/39/21/1090903921.db2.gz RFXRNYNERXVBMD-UHFFFAOYSA-N 0 0 300.749 3.238 20 10 DGCDRN Cc1ncc2n1CCN(Cc1ccc(N(C)C)c3ccccc13)C2 ZINC001204235327 1090931188 /nfs/dbraw/zinc/93/11/88/1090931188.db2.gz MBEKNDDVRBTPBG-UHFFFAOYSA-N 0 0 320.440 3.427 20 10 DGCDRN CN(C)c1ccc(CN2CCn3ccnc3C2)c2ccccc21 ZINC001204236318 1090931270 /nfs/dbraw/zinc/93/12/70/1090931270.db2.gz SWSCCYFQOGOQRA-UHFFFAOYSA-N 0 0 306.413 3.118 20 10 DGCDRN Oc1ccc(CN2CCOC[C@H]2c2ccc(Cl)cc2)c(O)c1 ZINC001204278156 1090939560 /nfs/dbraw/zinc/93/95/60/1090939560.db2.gz VQRSUUBIQBWNIC-INIZCTEOSA-N 0 0 319.788 3.325 20 10 DGCDRN CCc1ccc([C@@H]2COCCN2Cc2cc(F)c(F)cc2O)o1 ZINC001204346955 1090953040 /nfs/dbraw/zinc/95/30/40/1090953040.db2.gz FMDPPJIOQIELFH-HNNXBMFYSA-N 0 0 323.339 3.399 20 10 DGCDRN CCOc1cc(N(CCO)c2ccc(N)cc2)c(F)cc1F ZINC001212530776 1091115183 /nfs/dbraw/zinc/11/51/83/1091115183.db2.gz REWHQUBCINPGME-UHFFFAOYSA-N 0 0 308.328 3.076 20 10 DGCDRN O=C1CCCN(Cc2ccc(N3CCCCC3)cc2)C[C@@H]1F ZINC001138215657 1091118659 /nfs/dbraw/zinc/11/86/59/1091118659.db2.gz NCBKFVVLBXUDKW-KRWDZBQOSA-N 0 0 304.409 3.180 20 10 DGCDRN O=C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1(F)F ZINC001138221084 1091120029 /nfs/dbraw/zinc/12/00/29/1091120029.db2.gz YLUYTFIXASQWIT-UHFFFAOYSA-N 0 0 308.372 3.087 20 10 DGCDRN Cc1c(CN2CCO[C@@H](C(F)(F)F)C2)c2ccccc2n1C ZINC001138258038 1091126510 /nfs/dbraw/zinc/12/65/10/1091126510.db2.gz JAMFAJUUOOGMCM-OAHLLOKOSA-N 0 0 312.335 3.250 20 10 DGCDRN Cc1c(CN2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)c2ccccc2n1C ZINC001138258042 1091126907 /nfs/dbraw/zinc/12/69/07/1091126907.db2.gz JDRJIDCQHDLVNG-UVBJJODRSA-N 0 0 324.346 3.391 20 10 DGCDRN Cc1c(C[N@@H+]2CCO[C@@H](c3ccncc3)C2)c2ccccc2n1C ZINC001138258664 1091128346 /nfs/dbraw/zinc/12/83/46/1091128346.db2.gz XYDABMFNEBCJMQ-HXUWFJFHSA-N 0 0 321.424 3.455 20 10 DGCDRN CN(C(=O)c1ccc(N=NC(N)=O)cc1)C1Cc2ccccc2C1 ZINC001292107588 1091132966 /nfs/dbraw/zinc/13/29/66/1091132966.db2.gz IWWHUURYPDRZAN-UHFFFAOYSA-N 0 0 322.368 3.088 20 10 DGCDRN CN(CC(=O)c1ccccc1)Cc1ccc2c(c1)CCCN2C ZINC001138356385 1091150931 /nfs/dbraw/zinc/15/09/31/1091150931.db2.gz NPJKPWLDNILKMJ-UHFFFAOYSA-N 0 0 308.425 3.384 20 10 DGCDRN CN1CCCc2cc(CN3CC(Oc4ccccc4)C3)ccc21 ZINC001138358087 1091152145 /nfs/dbraw/zinc/15/21/45/1091152145.db2.gz MDCRZOWACOESCR-UHFFFAOYSA-N 0 0 308.425 3.332 20 10 DGCDRN CCN(CC)c1ccc(CN2CCC(=O)[C@@H](C)CC2)c(OC)c1 ZINC001138386824 1091160808 /nfs/dbraw/zinc/16/08/08/1091160808.db2.gz XNKYCPZYODZUCW-HNNXBMFYSA-N 0 0 318.461 3.342 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CCOC[C@@H](C)C2)c(OC)c1 ZINC001138385831 1091161616 /nfs/dbraw/zinc/16/16/16/1091161616.db2.gz AIMKVNWXDVCFHK-HNNXBMFYSA-N 0 0 306.450 3.010 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC001205414738 1091215064 /nfs/dbraw/zinc/21/50/64/1091215064.db2.gz PEMGKCBDNQXFPN-CQSZACIVSA-N 0 0 309.287 3.423 20 10 DGCDRN CC(C)(C)c1cnc(NC(=O)Cc2ccc(O)c(O)c2)s1 ZINC001294075137 1091343279 /nfs/dbraw/zinc/34/32/79/1091343279.db2.gz JLQSRHWOZMINFZ-UHFFFAOYSA-N 0 0 306.387 3.033 20 10 DGCDRN Cc1cc(NCc2cc(Cl)c(F)cc2O)cc(C(N)=O)c1 ZINC001205898326 1091397160 /nfs/dbraw/zinc/39/71/60/1091397160.db2.gz RDTMOGPNFFQMKH-UHFFFAOYSA-N 0 0 308.740 3.204 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001139126593 1091456416 /nfs/dbraw/zinc/45/64/16/1091456416.db2.gz LRAPVGWJGGOVBT-OKILXGFUSA-N 0 0 313.397 3.429 20 10 DGCDRN COc1cccc(CNC(=O)[C@@H](C)c2ccc(Cl)cc2)c1O ZINC001294924350 1091472156 /nfs/dbraw/zinc/47/21/56/1091472156.db2.gz BDLVTHQGENARTM-NSHDSACASA-N 0 0 319.788 3.474 20 10 DGCDRN COc1cccc(CNC(=O)[C@H](C)c2ccc(Cl)cc2)c1O ZINC001294924348 1091472266 /nfs/dbraw/zinc/47/22/66/1091472266.db2.gz BDLVTHQGENARTM-LLVKDONJSA-N 0 0 319.788 3.474 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3cccnc3c2)c1 ZINC001294936364 1091473327 /nfs/dbraw/zinc/47/33/27/1091473327.db2.gz GDBSCSCPHLKPBZ-GFCCVEGCSA-N 0 0 322.364 3.440 20 10 DGCDRN CC(C)CC[C@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001295005024 1091486450 /nfs/dbraw/zinc/48/64/50/1091486450.db2.gz RMJOESMVWSCSRY-OAHLLOKOSA-N 0 0 305.418 3.458 20 10 DGCDRN COC(=O)c1cccc2c1CN(Cc1ccc(N(C)C)c(C)c1)C2 ZINC001139672843 1091637686 /nfs/dbraw/zinc/63/76/86/1091637686.db2.gz IWOUTTOBHIQSRU-UHFFFAOYSA-N 0 0 324.424 3.363 20 10 DGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001139683615 1091641011 /nfs/dbraw/zinc/64/10/11/1091641011.db2.gz OUNDXRGPNQAJES-CYBMUJFWSA-N 0 0 320.339 3.109 20 10 DGCDRN O=C1CCC2(CC1)CC[NH+](Cc1c(F)ccc(F)c1[O-])CC2 ZINC001139688079 1091643479 /nfs/dbraw/zinc/64/34/79/1091643479.db2.gz YHVIXYAEJAEERZ-UHFFFAOYSA-N 0 0 309.356 3.396 20 10 DGCDRN Oc1c(F)cccc1CN1CC(O)(c2cccc3ccccc32)C1 ZINC001206477887 1091644271 /nfs/dbraw/zinc/64/42/71/1091644271.db2.gz RMKPKDACJYQMOF-UHFFFAOYSA-N 0 0 323.367 3.388 20 10 DGCDRN Cc1cccc2nc(CC[NH2+]Cc3cccc(Cl)c3[O-])cn21 ZINC001206560748 1091670641 /nfs/dbraw/zinc/67/06/41/1091670641.db2.gz WFARJUSZIDHUCI-UHFFFAOYSA-N 0 0 315.804 3.334 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2cnc3c(c2)CCCC3)cc1 ZINC001296310756 1091714871 /nfs/dbraw/zinc/71/48/71/1091714871.db2.gz WTRAZEZNFIYDAF-UHFFFAOYSA-N 0 0 323.356 3.375 20 10 DGCDRN Cc1ccc2c(c1)CCN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001140010149 1091737132 /nfs/dbraw/zinc/73/71/32/1091737132.db2.gz BHPXHVIZTLISRC-UHFFFAOYSA-N 0 0 308.341 3.360 20 10 DGCDRN CCOC(=O)[C@]1(C)CCCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140057401 1091751087 /nfs/dbraw/zinc/75/10/87/1091751087.db2.gz FPVHCBWYCNZULS-QGZVFWFLSA-N 0 0 309.381 3.087 20 10 DGCDRN O=C1CN(Cc2cc(F)ccc2O)Cc2ccc(Cl)cc21 ZINC001140056188 1091751685 /nfs/dbraw/zinc/75/16/85/1091751685.db2.gz LFVKWXBWVYISRQ-UHFFFAOYSA-N 0 0 305.736 3.383 20 10 DGCDRN Oc1ccc(F)cc1CN1CCn2cc(-c3ccccc3)nc2C1 ZINC001140060266 1091754413 /nfs/dbraw/zinc/75/44/13/1091754413.db2.gz SNCQXZBDFCPFBR-UHFFFAOYSA-N 0 0 323.371 3.411 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000827720949 1091777733 /nfs/dbraw/zinc/77/77/33/1091777733.db2.gz XOQCWTJYFRHRCI-IAGOWNOFSA-N 0 0 311.381 3.298 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000827720948 1091777906 /nfs/dbraw/zinc/77/79/06/1091777906.db2.gz XOQCWTJYFRHRCI-DLBZAZTESA-N 0 0 311.381 3.298 20 10 DGCDRN COc1ccc(N2CCN(Cc3scnc3C)CC2)c(C)c1 ZINC001206990814 1091813069 /nfs/dbraw/zinc/81/30/69/1091813069.db2.gz CXNZYHCSWMVETP-UHFFFAOYSA-N 0 0 317.458 3.091 20 10 DGCDRN Oc1cc(Cl)ccc1CN1CC(Oc2ccc(F)cc2)C1 ZINC001140464718 1091876328 /nfs/dbraw/zinc/87/63/28/1091876328.db2.gz AVRZZAYHIWPDQI-UHFFFAOYSA-N 0 0 307.752 3.448 20 10 DGCDRN C[C@@H]1C(=O)Nc2ccccc2CN1Cc1ccc(Cl)cc1O ZINC001207195850 1091883768 /nfs/dbraw/zinc/88/37/68/1091883768.db2.gz FOOVMFBTHGPAPE-LLVKDONJSA-N 0 0 316.788 3.388 20 10 DGCDRN COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140925775 1092064508 /nfs/dbraw/zinc/06/45/08/1092064508.db2.gz VODYAGDUGFQLND-JSGCOSHPSA-N 0 0 324.852 3.037 20 10 DGCDRN CN(C)c1ccc(CN2CC(Oc3cccnc3)C2)c(Cl)c1 ZINC001140924859 1092064570 /nfs/dbraw/zinc/06/45/70/1092064570.db2.gz VANGAWRSVNAPSS-UHFFFAOYSA-N 0 0 317.820 3.064 20 10 DGCDRN CN(C)c1ccc(CN2CCO[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC001140925596 1092065709 /nfs/dbraw/zinc/06/57/09/1092065709.db2.gz SGSQGBUEHKSJEP-CYBMUJFWSA-N 0 0 322.758 3.169 20 10 DGCDRN Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)c(O)c1 ZINC001140950207 1092077731 /nfs/dbraw/zinc/07/77/31/1092077731.db2.gz VJLUTIKGGXHFRY-QGZVFWFLSA-N 0 0 301.361 3.493 20 10 DGCDRN CCc1nc(OC)ccc1NCc1cc(C)cc(OC)c1O ZINC001207716139 1092077937 /nfs/dbraw/zinc/07/79/37/1092077937.db2.gz UOUPZBYNWPNCFX-UHFFFAOYSA-N 0 0 302.374 3.287 20 10 DGCDRN CCOc1ccc(N2CCN(Cc3cnccc3C)CC2)cc1 ZINC001141037372 1092116807 /nfs/dbraw/zinc/11/68/07/1092116807.db2.gz RPZJVYMADGBYCV-UHFFFAOYSA-N 0 0 311.429 3.111 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1ccc(-c2ccco2)s1 ZINC001142532965 1092496297 /nfs/dbraw/zinc/49/62/97/1092496297.db2.gz ATNZKMIVGRYOSS-UHFFFAOYSA-N 0 0 315.350 3.349 20 10 DGCDRN O=C(CCSCc1ccccc1)NCc1ccc(O)cc1O ZINC001142532942 1092496772 /nfs/dbraw/zinc/49/67/72/1092496772.db2.gz ABFGWQSKQSTLPC-UHFFFAOYSA-N 0 0 317.410 3.038 20 10 DGCDRN C[C@]1(C(=O)N2CCCc3cc(O)c(O)cc3C2)CC=CCC1 ZINC001142544360 1092497568 /nfs/dbraw/zinc/49/75/68/1092497568.db2.gz BFIVJCLKCKBWJM-SFHVURJKSA-N 0 0 301.386 3.119 20 10 DGCDRN COC1CC(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)C1 ZINC001142566372 1092505178 /nfs/dbraw/zinc/50/51/78/1092505178.db2.gz KWPBJKHZQGTOIV-UHFFFAOYSA-N 0 0 310.397 3.227 20 10 DGCDRN COC1CC(C(=O)N[C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)C1 ZINC001142570967 1092505823 /nfs/dbraw/zinc/50/58/23/1092505823.db2.gz UHFTZMFNTKNBIK-FVKWTLKZSA-N 0 0 317.429 3.174 20 10 DGCDRN CCc1ccc(O)c(C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001142728543 1092538945 /nfs/dbraw/zinc/53/89/45/1092538945.db2.gz WZTDUQDDIKRNSM-UHFFFAOYSA-N 0 0 322.364 3.138 20 10 DGCDRN C/C(=C/C(=O)NCc1ccc2cccnc2c1O)c1ccco1 ZINC001142731323 1092539546 /nfs/dbraw/zinc/53/95/46/1092539546.db2.gz UMWOSMBIIBKSRK-BENRWUELSA-N 0 0 308.337 3.253 20 10 DGCDRN CC(C)(C)c1cccc(CN2CCN(C(C)(C)C)C(=O)C2)c1O ZINC001143110810 1092616228 /nfs/dbraw/zinc/61/62/28/1092616228.db2.gz PZHVDIWPHGAWCJ-UHFFFAOYSA-N 0 0 318.461 3.132 20 10 DGCDRN O=C(c1cnc2ccccc2c1)N1CCc2cccc(O)c2C1 ZINC001149133444 1092663092 /nfs/dbraw/zinc/66/30/92/1092663092.db2.gz BEXXKHHSSQHPGA-UHFFFAOYSA-N 0 0 304.349 3.139 20 10 DGCDRN Cn1ccc2cc(C(=O)N3CCc4cccc(O)c4C3)ccc21 ZINC001149225247 1092671769 /nfs/dbraw/zinc/67/17/69/1092671769.db2.gz GMNWCEZHNRGTNV-UHFFFAOYSA-N 0 0 306.365 3.082 20 10 DGCDRN COc1ccc2cc(C(=O)N3CCc4cccc(O)c4C3)[nH]c2c1 ZINC001149568498 1092710631 /nfs/dbraw/zinc/71/06/31/1092710631.db2.gz RWDZKEFQYWMCLR-UHFFFAOYSA-N 0 0 322.364 3.081 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(CN2CC(F)(F)C[C@H]2CO)cc1 ZINC001209518471 1092805821 /nfs/dbraw/zinc/80/58/21/1092805821.db2.gz LZSBRNQBDSKOCZ-KRWDZBQOSA-N 0 0 320.383 3.296 20 10 DGCDRN O=C1CCCN1Cc1ccccc1Nc1ccc2c(c1)OCCN2 ZINC001209788589 1092923459 /nfs/dbraw/zinc/92/34/59/1092923459.db2.gz OCKOYZGQMHPWTH-UHFFFAOYSA-N 0 0 323.396 3.357 20 10 DGCDRN O=C1c2ccc(Nc3ccc4c(c3)OCCN4)cc2CN1C1CC1 ZINC001209788442 1092923933 /nfs/dbraw/zinc/92/39/33/1092923933.db2.gz DQXKZESKBRDCOV-UHFFFAOYSA-N 0 0 321.380 3.353 20 10 DGCDRN COC(=O)c1cc(F)c(Nc2ccc3c(c2)OCCN3)cc1F ZINC001209789177 1092924241 /nfs/dbraw/zinc/92/42/41/1092924241.db2.gz LZOYCYHZRJPXDE-UHFFFAOYSA-N 0 0 320.295 3.299 20 10 DGCDRN COC(=O)c1cc(Nc2ccc3c(c2)OCCN3)cc(OC)c1 ZINC001209788995 1092924457 /nfs/dbraw/zinc/92/44/57/1092924457.db2.gz SYIPUXSDXRALPP-UHFFFAOYSA-N 0 0 314.341 3.030 20 10 DGCDRN Nc1ccc(N(CCO)c2cc(C(F)(F)F)ccc2O)cc1 ZINC001209981868 1093004032 /nfs/dbraw/zinc/00/40/32/1093004032.db2.gz IHBFBIBUGTXEPA-UHFFFAOYSA-N 0 0 312.291 3.124 20 10 DGCDRN CN(C1=CCCCCCC1)S(=O)(=O)CCc1ccc(N)cc1 ZINC001210448961 1093169496 /nfs/dbraw/zinc/16/94/96/1093169496.db2.gz ZBTAZLHCSJREHY-UHFFFAOYSA-N 0 0 322.474 3.311 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCC(C)C ZINC001211033244 1093358417 /nfs/dbraw/zinc/35/84/17/1093358417.db2.gz RLQYBDLYUYNBST-OAHLLOKOSA-N 0 0 305.466 3.337 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2noc(-c3ncon3)n2)cc1 ZINC001213073711 1093510032 /nfs/dbraw/zinc/51/00/32/1093510032.db2.gz OOYVJMKZOINJTO-UHFFFAOYSA-N 0 0 307.313 3.194 20 10 DGCDRN C[C@@H](NS(=O)(=O)/C=C/c1ccc(F)cc1)c1ccccc1O ZINC001213415644 1093582762 /nfs/dbraw/zinc/58/27/62/1093582762.db2.gz WDUBODQHTJDMRC-HCRIHEDKSA-N 0 0 321.373 3.183 20 10 DGCDRN CC(=O)Nc1cccc(NC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001214572628 1093802487 /nfs/dbraw/zinc/80/24/87/1093802487.db2.gz KZOZHHDNIQQMOI-NSHDSACASA-N 0 0 313.357 3.233 20 10 DGCDRN Cc1c(F)cc(-c2noc(-c3cccc(O)c3O)n2)cc1F ZINC001215145710 1093926700 /nfs/dbraw/zinc/92/67/00/1093926700.db2.gz DOHUPAPLCWTFLI-UHFFFAOYSA-N 0 0 304.252 3.401 20 10 DGCDRN COc1ccc(Cl)cc1-c1noc(-c2cccc(O)c2O)n1 ZINC001215145743 1093927017 /nfs/dbraw/zinc/92/70/17/1093927017.db2.gz GPASRRVEUOWXNB-UHFFFAOYSA-N 0 0 318.716 3.477 20 10 DGCDRN Cc1c(F)ccc(-c2noc(-c3cccc(O)c3O)n2)c1F ZINC001215145910 1093927186 /nfs/dbraw/zinc/92/71/86/1093927186.db2.gz QQTLBXMTFSHIGK-UHFFFAOYSA-N 0 0 304.252 3.401 20 10 DGCDRN Oc1cccc(-c2nc(-c3ccc4scnc4c3)no2)c1O ZINC001215146009 1093927214 /nfs/dbraw/zinc/92/72/14/1093927214.db2.gz WSAUVTQNCRTGOC-UHFFFAOYSA-N 0 0 311.322 3.425 20 10 DGCDRN Oc1ccc(-c2nc(-c3cccc4cnccc43)no2)cc1O ZINC001215304357 1093955712 /nfs/dbraw/zinc/95/57/12/1093955712.db2.gz LLQOLSYVKQTFCB-UHFFFAOYSA-N 0 0 305.293 3.363 20 10 DGCDRN Oc1ccc(-c2nc(-c3cnccc3C(F)(F)F)no2)cc1O ZINC001215304160 1093955922 /nfs/dbraw/zinc/95/59/22/1093955922.db2.gz GISZMBOGYQOULL-UHFFFAOYSA-N 0 0 323.230 3.229 20 10 DGCDRN Cc1cc(-c2noc(-c3ccc(O)c(O)c3O)n2)c(F)cc1F ZINC001215325131 1093960670 /nfs/dbraw/zinc/96/06/70/1093960670.db2.gz CMACHWIQXWMIJH-UHFFFAOYSA-N 0 0 320.251 3.107 20 10 DGCDRN Oc1ccc(-c2nc(-c3cccc4ccncc43)no2)c(O)c1O ZINC001215325457 1093960874 /nfs/dbraw/zinc/96/08/74/1093960874.db2.gz UPTDWRGATXHPPO-UHFFFAOYSA-N 0 0 321.292 3.069 20 10 DGCDRN CCCOc1ccc(N(CCO)c2ccc(N)cc2)c(F)c1 ZINC001215490989 1093990018 /nfs/dbraw/zinc/99/00/18/1093990018.db2.gz BZTFCYIZIBDMRG-UHFFFAOYSA-N 0 0 304.365 3.327 20 10 DGCDRN CSc1cc(F)c(N(CCO)c2ccc(N)cc2)c(F)c1 ZINC001215842846 1094071947 /nfs/dbraw/zinc/07/19/47/1094071947.db2.gz WJHPXDLMWASYCA-UHFFFAOYSA-N 0 0 310.369 3.399 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2cc(C)nc3ccccc32)c1 ZINC001215995678 1094101426 /nfs/dbraw/zinc/10/14/26/1094101426.db2.gz WZASIRSNSOFVLN-UHFFFAOYSA-N 0 0 321.380 3.301 20 10 DGCDRN CC[C@@H]1COC(C)(C)CN1Cc1cc(F)cc(C(C)=O)c1O ZINC000403832700 1094187634 /nfs/dbraw/zinc/18/76/34/1094187634.db2.gz NTOOTRJVJUETAP-CQSZACIVSA-N 0 0 309.381 3.123 20 10 DGCDRN COc1c(F)cc(SC)cc1N(CCO)c1ccc(N)cc1 ZINC001216582867 1094225083 /nfs/dbraw/zinc/22/50/83/1094225083.db2.gz UOHKZRKNQLCBGI-UHFFFAOYSA-N 0 0 322.405 3.269 20 10 DGCDRN COc1cc(-c2nc(-c3cc(F)cc(F)c3)no2)cc(O)c1O ZINC001216944523 1094282610 /nfs/dbraw/zinc/28/26/10/1094282610.db2.gz SLRNOQXXELFNHM-UHFFFAOYSA-N 0 0 320.251 3.102 20 10 DGCDRN Cc1cc(C)c(-c2noc(-c3cc4cc(O)c(O)cc4[nH]3)n2)cn1 ZINC001217473556 1094420981 /nfs/dbraw/zinc/42/09/81/1094420981.db2.gz GJTHKKHREUBGRA-UHFFFAOYSA-N 0 0 322.324 3.308 20 10 DGCDRN Cc1ccc(C[C@@H](C)NC(=O)NCc2ccc(N)cc2)s1 ZINC001120513465 1094445986 /nfs/dbraw/zinc/44/59/86/1094445986.db2.gz LIVKSSVJKFDNMR-LLVKDONJSA-N 0 0 303.431 3.069 20 10 DGCDRN Nc1ccc(CNC(=O)N2CCC[C@H]2c2cccs2)cc1 ZINC001336289853 1094616463 /nfs/dbraw/zinc/61/64/63/1094616463.db2.gz ATUGOQODMRTSDW-AWEZNQCLSA-N 0 0 301.415 3.377 20 10 DGCDRN CC1(C)[C@H](C(F)(F)F)CCN1C(=O)NCc1ccc(N)cc1 ZINC001336290787 1094618082 /nfs/dbraw/zinc/61/80/82/1094618082.db2.gz RQRFFWSMFWVCLR-GFCCVEGCSA-N 0 0 315.339 3.141 20 10 DGCDRN O=C1C=CC=CC1=NNc1ccccc1O[C@H]1CCNC(=O)C1 ZINC001218210002 1094661669 /nfs/dbraw/zinc/66/16/69/1094661669.db2.gz QLHKAZXNBMYSNB-IVGVGDLQSA-N 0 0 311.341 3.465 20 10 DGCDRN O=C1C=CC(=NNc2ccc(O[C@@H]3CCNC(=O)C3)cc2)C=C1 ZINC001218209690 1094661993 /nfs/dbraw/zinc/66/19/93/1094661993.db2.gz KHGALNQFPRIASU-MRXNPFEDSA-N 0 0 311.341 3.465 20 10 DGCDRN CC[C@@H](O)[C@H](C)C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001170857005 1094712020 /nfs/dbraw/zinc/71/20/20/1094712020.db2.gz FEFDXQNJNVTJHR-KBXCAEBGSA-N 0 0 314.429 3.117 20 10 DGCDRN C[C@H](NC(=O)NC1(C(F)(F)F)CCC1)c1ccccc1O ZINC001336796409 1094741117 /nfs/dbraw/zinc/74/11/17/1094741117.db2.gz FEFLVVAMWCHBIP-VIFPVBQESA-N 0 0 302.296 3.237 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCC[C@H]2OC)cc1 ZINC001135945999 1094763034 /nfs/dbraw/zinc/76/30/34/1094763034.db2.gz AKEOIPMBOPTJEA-QZTJIDSGSA-N 0 0 318.461 3.306 20 10 DGCDRN CCc1ncoc1C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC001336868100 1094766728 /nfs/dbraw/zinc/76/67/28/1094766728.db2.gz RLLOTMBPLCZPRE-UHFFFAOYSA-N 0 0 315.417 3.355 20 10 DGCDRN Cc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)cc(C)n1 ZINC001336994266 1094806955 /nfs/dbraw/zinc/80/69/55/1094806955.db2.gz YAMLFHMGNDEIMX-UHFFFAOYSA-N 0 0 309.413 3.229 20 10 DGCDRN COc1cnc2c(cccc2NC(=O)Cc2ccc(N)cc2)c1 ZINC001219182412 1094947800 /nfs/dbraw/zinc/94/78/00/1094947800.db2.gz RCIDIVJMFCZOBI-UHFFFAOYSA-N 0 0 307.353 3.007 20 10 DGCDRN CCC(=O)c1cccc(S(=O)(=O)Nc2ccc(O)cc2C)c1 ZINC000315230130 1095094457 /nfs/dbraw/zinc/09/44/57/1095094457.db2.gz GUKJIMQTCHOHNR-UHFFFAOYSA-N 0 0 319.382 3.094 20 10 DGCDRN CC[C@@H](NC(=O)N[C@@H](C)c1cc(OC)ccc1O)C(F)(F)F ZINC001220468887 1095102028 /nfs/dbraw/zinc/10/20/28/1095102028.db2.gz SFJVWNJXGFHSNB-QPUJVOFHSA-N 0 0 320.311 3.102 20 10 DGCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2C[C@@H]2F)cc1 ZINC001337915528 1095137590 /nfs/dbraw/zinc/13/75/90/1095137590.db2.gz GYLFTOHQYMRTLH-SJORKVTESA-N 0 0 316.376 3.232 20 10 DGCDRN C[C@@H](NC(=O)NCc1cccc(Cl)c1O)c1cccnc1 ZINC001220724172 1095144653 /nfs/dbraw/zinc/14/46/53/1095144653.db2.gz VOTSZXZUXYHVHJ-SNVBAGLBSA-N 0 0 305.765 3.001 20 10 DGCDRN CC(C)(CNC(=O)Cc1ccc(N)cc1)c1c[nH]c2ccccc21 ZINC001220845271 1095164525 /nfs/dbraw/zinc/16/45/25/1095164525.db2.gz JCTGXQUFINQOFP-UHFFFAOYSA-N 0 0 321.424 3.387 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@H]1C(F)F ZINC001123473618 1095308499 /nfs/dbraw/zinc/30/84/99/1095308499.db2.gz SQLXDAPHKWQKGW-HNNXBMFYSA-N 0 0 321.371 3.002 20 10 DGCDRN CC(C)OCC(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001143367372 1095317197 /nfs/dbraw/zinc/31/71/97/1095317197.db2.gz NEXIPCFLYGFHBC-XJLOQFNLSA-N 0 0 313.361 3.030 20 10 DGCDRN Cc1cccc(CCNC(=O)NCc2cc(Cl)ccc2O)c1 ZINC001221683966 1095326248 /nfs/dbraw/zinc/32/62/48/1095326248.db2.gz YODJIBPSYGXXRF-UHFFFAOYSA-N 0 0 318.804 3.396 20 10 DGCDRN COc1cccc2c1O[C@@H](c1ccc(N3CCCC3)cc1)NC2=O ZINC001115862527 1095408862 /nfs/dbraw/zinc/40/88/62/1095408862.db2.gz VTMGLFUFAPJPCJ-IBGZPJMESA-N 0 0 324.380 3.116 20 10 DGCDRN CO[C@@H]1CC[C@H](NC(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC001338846955 1095410808 /nfs/dbraw/zinc/41/08/08/1095410808.db2.gz WSCARBZEQGEBFG-UONOGXRCSA-N 0 0 318.442 3.453 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)CC(C)(C)C)CC2)cc1 ZINC001116350830 1095522650 /nfs/dbraw/zinc/52/26/50/1095522650.db2.gz OTIOEUBKOTWJSC-UHFFFAOYSA-N 0 0 304.434 3.170 20 10 DGCDRN [O-]c1cc(F)c(Br)cc1C[N@@H+]1CCC2(CC2)C1 ZINC001144292654 1095588996 /nfs/dbraw/zinc/58/89/96/1095588996.db2.gz HNVPMSWIWTXKAI-UHFFFAOYSA-N 0 0 300.171 3.280 20 10 DGCDRN [O-]c1cc(F)c(Br)cc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC001144300174 1095595737 /nfs/dbraw/zinc/59/57/37/1095595737.db2.gz VSPYDGUAATYESO-VIFPVBQESA-N 0 0 320.177 3.475 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)COC(C)(C)C ZINC001124623352 1095610232 /nfs/dbraw/zinc/61/02/32/1095610232.db2.gz SFBYHMXLYDTSKQ-UHFFFAOYSA-N 0 0 304.434 3.060 20 10 DGCDRN Oc1ccc(Br)cc1CNc1cc2nccc-2[n-][nH+]1 ZINC001171175267 1095643181 /nfs/dbraw/zinc/64/31/81/1095643181.db2.gz HXVLNSPBLIQRNE-UHFFFAOYSA-N 0 0 319.162 3.038 20 10 DGCDRN CCc1cncnc1NCc1cc(Br)ccc1O ZINC001171174727 1095643762 /nfs/dbraw/zinc/64/37/62/1095643762.db2.gz ZLRFADXHYBQGNF-UHFFFAOYSA-N 0 0 308.179 3.119 20 10 DGCDRN Oc1ccc(Br)cc1CNc1cnc(C2CC2)nc1 ZINC001171175602 1095645487 /nfs/dbraw/zinc/64/54/87/1095645487.db2.gz ROQTVAOTWWZWID-UHFFFAOYSA-N 0 0 320.190 3.434 20 10 DGCDRN Oc1ccc(Br)cc1CNc1cncnc1C1CC1 ZINC001171177856 1095647179 /nfs/dbraw/zinc/64/71/79/1095647179.db2.gz KRCFJEIRGATMKM-UHFFFAOYSA-N 0 0 320.190 3.434 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC001116811593 1095665432 /nfs/dbraw/zinc/66/54/32/1095665432.db2.gz ITOKZWSWRYEJRH-OLZOCXBDSA-N 0 0 320.389 3.321 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cc(C)cnc2F)cc1 ZINC001125235102 1095671148 /nfs/dbraw/zinc/67/11/48/1095671148.db2.gz KFCSCKNMWSUKJL-UHFFFAOYSA-N 0 0 315.392 3.305 20 10 DGCDRN COc1ccc(CNC(=O)[C@H](C)c2ccc(F)cc2F)c(O)c1 ZINC001116872263 1095686248 /nfs/dbraw/zinc/68/62/48/1095686248.db2.gz ZNZIPHYOTXRWKM-SNVBAGLBSA-N 0 0 321.323 3.099 20 10 DGCDRN Cc1cccnc1OC1CC[NH+](Cc2c([O-])cccc2F)CC1 ZINC001137841586 1095760180 /nfs/dbraw/zinc/76/01/80/1095760180.db2.gz LEZRRDMWJDFBDL-UHFFFAOYSA-N 0 0 316.376 3.278 20 10 DGCDRN Cc1ccnc(O[C@H]2CCC[N@H+](Cc3c([O-])cccc3F)C2)c1 ZINC001137841313 1095760602 /nfs/dbraw/zinc/76/06/02/1095760602.db2.gz ABFAXEWQYKJPBL-AWEZNQCLSA-N 0 0 316.376 3.278 20 10 DGCDRN C[C@@H](NC(=O)Cc1c[nH]c2cnccc12)c1ccc(N(C)C)cc1 ZINC001117718646 1095814809 /nfs/dbraw/zinc/81/48/09/1095814809.db2.gz WDJPGWQRDYUKLG-CYBMUJFWSA-N 0 0 322.412 3.049 20 10 DGCDRN CC(C)(C)OC(=O)O[C@@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001138122518 1095895371 /nfs/dbraw/zinc/89/53/71/1095895371.db2.gz KFPDSJIUIQKUCA-GFCCVEGCSA-N 0 0 311.353 3.057 20 10 DGCDRN Cc1ccccc1O[C@@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001138127640 1095901128 /nfs/dbraw/zinc/90/11/28/1095901128.db2.gz JLKXICHSVHSPMD-OAHLLOKOSA-N 0 0 301.361 3.493 20 10 DGCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001138127936 1095901530 /nfs/dbraw/zinc/90/15/30/1095901530.db2.gz XBGNUKALYGUAAQ-MRXNPFEDSA-N 0 0 301.361 3.322 20 10 DGCDRN CC(C)n1cc2c(n1)[C@@H](NC(=O)Nc1ccc(N)cc1)CCC2 ZINC001117955324 1095909867 /nfs/dbraw/zinc/90/98/67/1095909867.db2.gz NCVLRRSNMFXOCX-HNNXBMFYSA-N 0 0 313.405 3.245 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCC[C@H](F)C1 ZINC001118124132 1095937584 /nfs/dbraw/zinc/93/75/84/1095937584.db2.gz VJYYFVZEQHLGPE-JKSUJKDBSA-N 0 0 317.408 3.143 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCC[C@H](F)C2)cc1 ZINC001118127694 1095939005 /nfs/dbraw/zinc/93/90/05/1095939005.db2.gz MSYGHUBNTNAHBZ-LSDHHAIUSA-N 0 0 307.413 3.175 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1cc(-c2ccco2)on1 ZINC001146233496 1096008746 /nfs/dbraw/zinc/00/87/46/1096008746.db2.gz UYGUGEGNWFGOLK-UHFFFAOYSA-N 0 0 318.716 3.224 20 10 DGCDRN Cc1nc(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)c[nH]1 ZINC001146870563 1096119153 /nfs/dbraw/zinc/11/91/53/1096119153.db2.gz YQAOKJYNHUCVME-UHFFFAOYSA-N 0 0 306.369 3.147 20 10 DGCDRN CCOc1ccc(N(C)C[C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001119254586 1096146328 /nfs/dbraw/zinc/14/63/28/1096146328.db2.gz ZXLBUXRWMNCYPA-CYBMUJFWSA-N 0 0 308.422 3.435 20 10 DGCDRN Cn1ccc(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)c1 ZINC001147011536 1096153677 /nfs/dbraw/zinc/15/36/77/1096153677.db2.gz HKJQFRFMLRQJQV-UHFFFAOYSA-N 0 0 305.381 3.454 20 10 DGCDRN Cc1c(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)cnn1C ZINC001147466219 1096223859 /nfs/dbraw/zinc/22/38/59/1096223859.db2.gz ZXVVLHCILSHKQU-UHFFFAOYSA-N 0 0 320.396 3.158 20 10 DGCDRN Cc1cnn(-c2ccc(C)cc2)c1NC(=O)c1cccc(O)c1O ZINC001148212128 1096326249 /nfs/dbraw/zinc/32/62/49/1096326249.db2.gz NIBUXCWNIPVTBP-UHFFFAOYSA-N 0 0 323.352 3.153 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccccc2-c2ncco2)c(O)c1O ZINC001148245740 1096341941 /nfs/dbraw/zinc/34/19/41/1096341941.db2.gz MERUJUQOTBTUSL-UHFFFAOYSA-N 0 0 310.309 3.314 20 10 DGCDRN COC(=O)c1nc(NCc2cc3ccccc3cc2O)cnc1C ZINC001171399150 1096659960 /nfs/dbraw/zinc/65/99/60/1096659960.db2.gz FEHZJZGDRZAOON-UHFFFAOYSA-N 0 0 323.352 3.043 20 10 DGCDRN C[C@@H](NC(=O)COc1ccc(F)cc1Cl)c1ccccc1O ZINC001171716820 1096953519 /nfs/dbraw/zinc/95/35/19/1096953519.db2.gz AADUYVHPVPQVCA-SNVBAGLBSA-N 0 0 323.751 3.441 20 10 DGCDRN O=C1c2ccccc2C(=O)c2c1ccc(O)c2O[C@@H]1C[C@H]2C[C@H]2C1 ZINC001227580194 1096954272 /nfs/dbraw/zinc/95/42/72/1096954272.db2.gz JERBCBPLBKUWCO-ZSBIGDGJSA-N 0 0 320.344 3.345 20 10 DGCDRN C[C@@H](Oc1c(O)ccc2c1C(=O)c1ccccc1C2=O)C1CC1 ZINC001227581131 1096955088 /nfs/dbraw/zinc/95/50/88/1096955088.db2.gz XGRGPGCZNQSOII-SNVBAGLBSA-N 0 0 308.333 3.345 20 10 DGCDRN C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1O ZINC001171729409 1096956431 /nfs/dbraw/zinc/95/64/31/1096956431.db2.gz BRRLKYCFDPWIOO-LBPRGKRZSA-N 0 0 314.341 3.110 20 10 DGCDRN C[C@H]1[C@@H](Oc2ccc(N(C)C)cc2)CN1C(=O)OC(C)(C)C ZINC001227939041 1097017490 /nfs/dbraw/zinc/01/74/90/1097017490.db2.gz IXAXMCURVSKZSD-WFASDCNBSA-N 0 0 306.406 3.139 20 10 DGCDRN COC(=O)[C@H](Oc1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC001227939355 1097017495 /nfs/dbraw/zinc/01/74/95/1097017495.db2.gz UEKINMGBNYNHJJ-MRXNPFEDSA-N 0 0 303.333 3.185 20 10 DGCDRN CC(C)[C@@H](C)Oc1c(O)c(O)ccc1C(=O)c1ccc(O)cc1 ZINC001228110840 1097052804 /nfs/dbraw/zinc/05/28/04/1097052804.db2.gz MNJFLGKGNVAMLQ-LLVKDONJSA-N 0 0 316.353 3.458 20 10 DGCDRN CC[C@H](C)[C@@H](C)Oc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC001228201765 1097072534 /nfs/dbraw/zinc/07/25/34/1097072534.db2.gz PVWPYJWFWOADOM-LSDHHAIUSA-N 0 0 304.434 3.169 20 10 DGCDRN CC(=O)N1CCN(c2ccc(O[C@@H](C)CC(C)C)cc2)CC1 ZINC001228206899 1097073959 /nfs/dbraw/zinc/07/39/59/1097073959.db2.gz ZWORELCGYNVDBQ-HNNXBMFYSA-N 0 0 304.434 3.169 20 10 DGCDRN Cc1nc(-c2noc(-c3nnsc3C(C)C)n2)ccc1F ZINC001212687395 1097259553 /nfs/dbraw/zinc/25/95/53/1097259553.db2.gz QQZREHXYRHTKLN-UHFFFAOYSA-N 0 0 305.338 3.221 20 10 DGCDRN CC(C)c1snnc1-c1nc(-c2cccc(N(C)C)c2)no1 ZINC001212687241 1097259885 /nfs/dbraw/zinc/25/98/85/1097259885.db2.gz JAOCNVIREWMMJJ-UHFFFAOYSA-N 0 0 315.402 3.445 20 10 DGCDRN COC(=O)[C@H](NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000324470248 1097437092 /nfs/dbraw/zinc/43/70/92/1097437092.db2.gz ARALYRCMXYZFQU-LJQANCHMSA-N 0 0 324.424 3.291 20 10 DGCDRN CCO[C@H](C)COc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001231266149 1097708251 /nfs/dbraw/zinc/70/82/51/1097708251.db2.gz OIGUORJJAFXQTJ-GFCCVEGCSA-N 0 0 310.349 3.266 20 10 DGCDRN O=C([O-])c1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)c(O)c1 ZINC001231450251 1097752046 /nfs/dbraw/zinc/75/20/46/1097752046.db2.gz CHQQAOOYTNXEFC-INIZCTEOSA-N 0 0 312.369 3.213 20 10 DGCDRN COc1ccccc1[C@H](C)[N@H+](C)Cc1ccc(C(=O)[O-])cc1O ZINC001231455283 1097753769 /nfs/dbraw/zinc/75/37/69/1097753769.db2.gz MHGHDAWPHPWWOF-LBPRGKRZSA-N 0 0 315.369 3.292 20 10 DGCDRN CC(C)c1nc(CN(C)Cc2cc(C(=O)[O-])ccc2O)cs1 ZINC001231564938 1097780668 /nfs/dbraw/zinc/78/06/68/1097780668.db2.gz KYFXACXROJJEMM-UHFFFAOYSA-N 0 0 320.414 3.302 20 10 DGCDRN CC[N@H+](Cc1ccc(F)cc1)Cc1cc(C(=O)[O-])ccc1O ZINC001231565894 1097780861 /nfs/dbraw/zinc/78/08/61/1097780861.db2.gz NGQJCGVJTAQJMO-UHFFFAOYSA-N 0 0 303.333 3.252 20 10 DGCDRN Cc1cccc(CN2CC(Oc3ccc(F)c(F)c3)C2)c1O ZINC001231593164 1097786658 /nfs/dbraw/zinc/78/66/58/1097786658.db2.gz QBCBNALYFOUJFX-UHFFFAOYSA-N 0 0 305.324 3.242 20 10 DGCDRN CC[N@H+](Cc1ccc(OC)c(C(=O)[O-])c1)Cc1ccccc1O ZINC001231754496 1097832145 /nfs/dbraw/zinc/83/21/45/1097832145.db2.gz ANEWVQZHCQGBKM-UHFFFAOYSA-N 0 0 315.369 3.121 20 10 DGCDRN COc1cc(N(C)C)ccc1CN1CC[C@H](CF)C(F)(F)C1 ZINC001231847993 1097861865 /nfs/dbraw/zinc/86/18/65/1097861865.db2.gz DCZGRVZCLTVTHH-CYBMUJFWSA-N 0 0 316.367 3.188 20 10 DGCDRN Oc1c(CN2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)ccc2ccccc21 ZINC001231881163 1097877159 /nfs/dbraw/zinc/87/71/59/1097877159.db2.gz TWWHIJTXBKLZAD-NOLJZWGESA-N 0 0 323.314 3.449 20 10 DGCDRN Cc1cccnc1N1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC001231909740 1097889047 /nfs/dbraw/zinc/88/90/47/1097889047.db2.gz OLLYGPLCQHPUMP-UHFFFAOYSA-N 0 0 317.820 3.071 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CC[C@]1(O)C(F)(F)F ZINC001231910668 1097890077 /nfs/dbraw/zinc/89/00/77/1097890077.db2.gz QESBFNGUVAUBAN-NOZJJQNGSA-N 0 0 323.742 3.181 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CC[C@@]1(O)C(F)(F)F ZINC001231910671 1097890657 /nfs/dbraw/zinc/89/06/57/1097890657.db2.gz QESBFNGUVAUBAN-RNCFNFMXSA-N 0 0 323.742 3.181 20 10 DGCDRN CC(=O)N(C(C)C)C1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC001231912963 1097891276 /nfs/dbraw/zinc/89/12/76/1097891276.db2.gz FJMVZWOCXYTJPG-UHFFFAOYSA-N 0 0 324.852 3.267 20 10 DGCDRN Oc1cccc2c1CN(Cc1cccc(C(F)(F)F)n1)CC2 ZINC001232073206 1097931669 /nfs/dbraw/zinc/93/16/69/1097931669.db2.gz DLLVPQGQOKFMFU-UHFFFAOYSA-N 0 0 308.303 3.364 20 10 DGCDRN COc1ccnc(Cl)c1CN(C)Cc1ccc(N(C)C)cc1 ZINC001232159201 1097953041 /nfs/dbraw/zinc/95/30/41/1097953041.db2.gz GDGBVMWQTOJIDX-UHFFFAOYSA-N 0 0 319.836 3.442 20 10 DGCDRN Oc1cc(O)c(CN2CCc3ccc(F)cc3C2)cc1Cl ZINC001232264459 1097986212 /nfs/dbraw/zinc/98/62/12/1097986212.db2.gz CDRTXJWZSSQUCJ-UHFFFAOYSA-N 0 0 307.752 3.449 20 10 DGCDRN Oc1cc(O)c(CN2CCO[C@H](c3ccccc3)C2)cc1Cl ZINC001232268232 1097988442 /nfs/dbraw/zinc/98/84/42/1097988442.db2.gz NEIILIOBEPDKJY-KRWDZBQOSA-N 0 0 319.788 3.325 20 10 DGCDRN COc1cc(O)c(CN2CCc3nc(C)sc3C2)cc1Cl ZINC001232269574 1097988996 /nfs/dbraw/zinc/98/89/96/1097988996.db2.gz FGDCYIPOGAUTEU-UHFFFAOYSA-N 0 0 324.833 3.377 20 10 DGCDRN CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(OC)nc1C ZINC001232335929 1098007594 /nfs/dbraw/zinc/00/75/94/1098007594.db2.gz CPFKEKFHARDFSJ-UHFFFAOYSA-N 0 0 313.445 3.487 20 10 DGCDRN COC(=O)c1c(CN2CC[C@@H](C)[C@H](F)C2)c2ccccc2n1C ZINC001232403037 1098029126 /nfs/dbraw/zinc/02/91/26/1098029126.db2.gz TXNXNNHKCIWMMX-IUODEOHRSA-N 0 0 318.392 3.145 20 10 DGCDRN CCCCCC[NH+]1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233077054 1098218964 /nfs/dbraw/zinc/21/89/64/1098218964.db2.gz CPCIGKIOQJOYCN-UHFFFAOYSA-N 0 0 312.404 3.368 20 10 DGCDRN CC(C)(O)C[N@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1[O-] ZINC001233079110 1098220944 /nfs/dbraw/zinc/22/09/44/1098220944.db2.gz WBPRYFMLGIJFIA-UHFFFAOYSA-N 0 0 321.367 3.444 20 10 DGCDRN Cc1cc(Br)cc(CN2C[C@H](F)C[C@H]2C)c1O ZINC001233105951 1098228740 /nfs/dbraw/zinc/22/87/40/1098228740.db2.gz FKMDBEAVRCXPRF-BXKDBHETSA-N 0 0 302.187 3.395 20 10 DGCDRN Cc1cc(Br)cc(CN2CCC[C@@H]2CF)c1O ZINC001233111698 1098230101 /nfs/dbraw/zinc/23/01/01/1098230101.db2.gz ULFCKROCNSSACY-GFCCVEGCSA-N 0 0 302.187 3.397 20 10 DGCDRN Nc1ccc(OC(=O)c2ccc(NC3=CCOCC3)cc2)cc1 ZINC001176146453 1098258146 /nfs/dbraw/zinc/25/81/46/1098258146.db2.gz DKSFWHZMGLCMCW-UHFFFAOYSA-N 0 0 310.353 3.204 20 10 DGCDRN CC(C)(C)c1ccc(O)c(CN2CC(F)(F)CC[C@H]2CO)c1 ZINC001233284193 1098274841 /nfs/dbraw/zinc/27/48/41/1098274841.db2.gz LVNZECSLXPWACU-AWEZNQCLSA-N 0 0 313.388 3.282 20 10 DGCDRN CCOC(=O)CN(Cc1cc(C(C)(C)C)ccc1O)C1CC1 ZINC001233286713 1098275787 /nfs/dbraw/zinc/27/57/87/1098275787.db2.gz GJNPIAWWZJAIBT-UHFFFAOYSA-N 0 0 305.418 3.217 20 10 DGCDRN CC(C)(C)c1ccc(O)c(CN(CCO)CC(F)(F)F)c1 ZINC001233286738 1098276608 /nfs/dbraw/zinc/27/66/08/1098276608.db2.gz HEMVFDLUXZNFBG-UHFFFAOYSA-N 0 0 305.340 3.046 20 10 DGCDRN COc1cc(Cl)cc(CN2CCC(=O)[C@H]3CCCC[C@H]32)c1O ZINC001233287273 1098276833 /nfs/dbraw/zinc/27/68/33/1098276833.db2.gz FPIMMAJXRRRSNK-UONOGXRCSA-N 0 0 323.820 3.388 20 10 DGCDRN [O-]c1ccc(F)c(F)c1C[NH+]1CCC(Oc2ccccn2)CC1 ZINC001233334365 1098291232 /nfs/dbraw/zinc/29/12/32/1098291232.db2.gz CVSPGKSTMMCCTR-UHFFFAOYSA-N 0 0 320.339 3.109 20 10 DGCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001233332437 1098291867 /nfs/dbraw/zinc/29/18/67/1098291867.db2.gz LEYYDLZDKZKHJZ-LBPRGKRZSA-N 0 0 313.241 3.394 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1c(O)ccc(F)c1F)CCC2 ZINC001233335734 1098292377 /nfs/dbraw/zinc/29/23/77/1098292377.db2.gz IWXUJUAVVJHNGZ-UHFFFAOYSA-N 0 0 321.323 3.030 20 10 DGCDRN Cc1cccc(O[C@@H]2CC[N@H+](Cc3c([O-])ccc(F)c3F)C2)n1 ZINC001233336274 1098293567 /nfs/dbraw/zinc/29/35/67/1098293567.db2.gz GDHQIXMTVGECQY-GFCCVEGCSA-N 0 0 320.339 3.027 20 10 DGCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001233336235 1098293626 /nfs/dbraw/zinc/29/36/26/1098293626.db2.gz DMSXMKJRVWZODG-ZDUSSCGKSA-N 0 0 320.339 3.109 20 10 DGCDRN CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1c([O-])ccc(F)c1F ZINC001233336547 1098294026 /nfs/dbraw/zinc/29/40/26/1098294026.db2.gz PMECLBGZJDTNPB-UHFFFAOYSA-N 0 0 321.323 3.421 20 10 DGCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001233336234 1098294534 /nfs/dbraw/zinc/29/45/34/1098294534.db2.gz DMSXMKJRVWZODG-CYBMUJFWSA-N 0 0 320.339 3.109 20 10 DGCDRN COc1cc2c(cc1OC)CN(Cc1c(O)ccc(F)c1F)C2 ZINC001233336214 1098294558 /nfs/dbraw/zinc/29/45/58/1098294558.db2.gz CRCSGTXTZZLHLI-UHFFFAOYSA-N 0 0 321.323 3.203 20 10 DGCDRN CC1(C)OCCC12CC[NH+](Cc1c([O-])ccc(F)c1F)CC2 ZINC001233336469 1098294603 /nfs/dbraw/zinc/29/46/03/1098294603.db2.gz MSHYCIPFJLESEN-UHFFFAOYSA-N 0 0 311.372 3.452 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)cccc1C(F)(F)F ZINC001233416179 1098321730 /nfs/dbraw/zinc/32/17/30/1098321730.db2.gz YRKRLRIGGUKWOE-FZMZJTMJSA-N 0 0 315.335 3.412 20 10 DGCDRN C[C@H]1CN(Cc2cccc(C(F)(F)F)c2O)CCCC1=O ZINC001233415737 1098321967 /nfs/dbraw/zinc/32/19/67/1098321967.db2.gz HFBZOJPISOVMSK-JTQLQIEISA-N 0 0 301.308 3.212 20 10 DGCDRN C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233416164 1098323287 /nfs/dbraw/zinc/32/32/87/1098323287.db2.gz YHRYCXGUPVRNOZ-WDEREUQCSA-N 0 0 303.324 3.004 20 10 DGCDRN O=C1CCC[C@@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3[O-])C[C@H]12 ZINC001233419642 1098325354 /nfs/dbraw/zinc/32/53/54/1098325354.db2.gz HHIGLGRWHPUSFM-PWSUYJOCSA-N 0 0 313.319 3.212 20 10 DGCDRN O=C(NCC(F)(F)c1cc(F)cc(F)c1)C1=CC(=O)CS1 ZINC001176426084 1098338560 /nfs/dbraw/zinc/33/85/60/1098338560.db2.gz UDCYWUGKSBSGDG-UHFFFAOYSA-N 0 0 319.279 3.254 20 10 DGCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@@H](C)c1cn(C)nc1C ZINC001233495790 1098350615 /nfs/dbraw/zinc/35/06/15/1098350615.db2.gz RUPTZOUIEZCRSK-NSHDSACASA-N 0 0 318.373 3.263 20 10 DGCDRN CCN1CCc2cc(O[C@H](C(=O)OC)c3ccccc3)ccc21 ZINC001233606414 1098387850 /nfs/dbraw/zinc/38/78/50/1098387850.db2.gz BWYVKUFUZAFRHE-SFHVURJKSA-N 0 0 311.381 3.362 20 10 DGCDRN COc1ccc([C@H](C)Oc2nc[nH]c3cc(=O)c(O)cc2-3)cc1 ZINC001233949415 1098464495 /nfs/dbraw/zinc/46/44/95/1098464495.db2.gz GSDFBVKAIBQWKJ-JTQLQIEISA-N 0 0 312.325 3.190 20 10 DGCDRN O=c1cc2[nH]cnc(O[C@@H]3CCC(=O)c4ccccc43)c-2cc1O ZINC001233949335 1098465130 /nfs/dbraw/zinc/46/51/30/1098465130.db2.gz DCLGWVAHIRBTSM-QGZVFWFLSA-N 0 0 322.320 3.138 20 10 DGCDRN Cc1cc(CNC(=O)N2C[C@@H]3C[C@@H]3C2)c(C)n1-c1ccccc1 ZINC001234336423 1098538595 /nfs/dbraw/zinc/53/85/95/1098538595.db2.gz IXVJKGDQUOAQRC-CALCHBBNSA-N 0 0 309.413 3.255 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H](O)c1cccc(F)c1 ZINC001177548262 1098554579 /nfs/dbraw/zinc/55/45/79/1098554579.db2.gz CTIIMDGUDZMXPO-AWEZNQCLSA-N 0 0 313.731 3.147 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001234476072 1098564851 /nfs/dbraw/zinc/56/48/51/1098564851.db2.gz KJHRNSBPETWPCE-JTQLQIEISA-N 0 0 317.297 3.349 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3C[C@@H]4C[C@@H]4[C@H](F)C3)c2c1 ZINC001234526353 1098581517 /nfs/dbraw/zinc/58/15/17/1098581517.db2.gz UDUCONZQCOWICA-YLQAJVPDSA-N 0 0 301.361 3.344 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@H](CCO)C3)c2c1 ZINC001234552827 1098595620 /nfs/dbraw/zinc/59/56/20/1098595620.db2.gz JLVAIUONOITOGG-CQSZACIVSA-N 0 0 315.413 3.148 20 10 DGCDRN C[C@@H](NC(=O)N1C[C@@H](C)OCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC001234556341 1098597344 /nfs/dbraw/zinc/59/73/44/1098597344.db2.gz SLKPYOKIEAHXCV-RBSFLKMASA-N 0 0 319.449 3.023 20 10 DGCDRN C[C@H](NC(=O)N1C[C@@H](C)OCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC001234556339 1098598945 /nfs/dbraw/zinc/59/89/45/1098598945.db2.gz SLKPYOKIEAHXCV-KFWWJZLASA-N 0 0 319.449 3.023 20 10 DGCDRN CO[C@@]1(C)C[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1(C)C ZINC001177928322 1098658182 /nfs/dbraw/zinc/65/81/82/1098658182.db2.gz GWBDMKFONNYSIR-WFASDCNBSA-N 0 0 301.789 3.478 20 10 DGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)CCc2ncc[nH]2)cc1 ZINC001177998029 1098673920 /nfs/dbraw/zinc/67/39/20/1098673920.db2.gz KQOKJUZKHZKDTI-UHFFFAOYSA-N 0 0 320.396 3.158 20 10 DGCDRN CCN(Cc1cccc(-c2ccccc2)c1O)[C@@H](C)C(=O)OC ZINC001234999233 1098742764 /nfs/dbraw/zinc/74/27/64/1098742764.db2.gz KHYWOTJSDXGUMW-AWEZNQCLSA-N 0 0 313.397 3.443 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cc(C)ccn1 ZINC001178270004 1098771642 /nfs/dbraw/zinc/77/16/42/1098771642.db2.gz HTAVBQWBLKKXAS-UHFFFAOYSA-N 0 0 311.429 3.047 20 10 DGCDRN Cc1cncc(C[NH2+]Cc2cc(C)cc(Br)c2[O-])c1 ZINC001178365623 1098811597 /nfs/dbraw/zinc/81/15/97/1098811597.db2.gz OFUDPXBZMXRNBG-UHFFFAOYSA-N 0 0 321.218 3.456 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cc2c(cc1O)CCCC2 ZINC001178412877 1098828742 /nfs/dbraw/zinc/82/87/42/1098828742.db2.gz JBSDJEWVOLPVFZ-UHFFFAOYSA-N 0 0 315.344 3.046 20 10 DGCDRN [O-]c1c(Br)cc(F)cc1C[NH+]1C2CCC1CC2 ZINC001235304308 1098951248 /nfs/dbraw/zinc/95/12/48/1098951248.db2.gz WWOCTXZUHOZFBO-UHFFFAOYSA-N 0 0 300.171 3.421 20 10 DGCDRN [O-]c1c(Br)cc(F)cc1C[NH+]1CC2CC(C2)C1 ZINC001235306686 1098952219 /nfs/dbraw/zinc/95/22/19/1098952219.db2.gz WZQYAFVXKMRDFL-UHFFFAOYSA-N 0 0 300.171 3.136 20 10 DGCDRN O=C(CC1(O)CCCCC1)NCc1c(O)ccc2ccccc21 ZINC001179032205 1099005935 /nfs/dbraw/zinc/00/59/35/1099005935.db2.gz AGBJVSXXFMMCNN-UHFFFAOYSA-N 0 0 313.397 3.247 20 10 DGCDRN CC(C)(C)C[C@H](O)CC(=O)NCc1c(O)ccc2ccccc21 ZINC001179032837 1099006054 /nfs/dbraw/zinc/00/60/54/1099006054.db2.gz OEAIXQMHPWFUPT-CQSZACIVSA-N 0 0 315.413 3.349 20 10 DGCDRN CC(C)(C)C[C@@H](O)CC(=O)NCc1c(O)ccc2ccccc21 ZINC001179032836 1099006536 /nfs/dbraw/zinc/00/65/36/1099006536.db2.gz OEAIXQMHPWFUPT-AWEZNQCLSA-N 0 0 315.413 3.349 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCCO[C@@H]1CCCCO1 ZINC001179101158 1099009795 /nfs/dbraw/zinc/00/97/95/1099009795.db2.gz SDINOKXJHXBWGK-CQSZACIVSA-N 0 0 317.788 3.208 20 10 DGCDRN O=C(NCCc1cccc2[nH]ccc21)N1Cc2cccc(O)c2C1 ZINC001235728665 1099150878 /nfs/dbraw/zinc/15/08/78/1099150878.db2.gz UFZTZOSMZFJSEQ-UHFFFAOYSA-N 0 0 321.380 3.141 20 10 DGCDRN Cn1c(NC(=O)/C=C/c2ccc(O)c(O)c2)cc2ccccc21 ZINC001179683200 1099176554 /nfs/dbraw/zinc/17/65/54/1099176554.db2.gz LZZTXNCVSBSWPI-VQHVLOKHSA-N 0 0 308.337 3.241 20 10 DGCDRN COc1nccc(CN2CCc3cccc(O)c3C2)c1Cl ZINC001235839111 1099202767 /nfs/dbraw/zinc/20/27/67/1099202767.db2.gz IHXSVQLFAPASDS-UHFFFAOYSA-N 0 0 304.777 3.008 20 10 DGCDRN Cc1cc(C)c(CNC(=O)Cc2cc(F)c(F)c(F)c2)c(O)c1 ZINC001179959177 1099272339 /nfs/dbraw/zinc/27/23/39/1099272339.db2.gz GECSXVOQALPTRB-UHFFFAOYSA-N 0 0 323.314 3.285 20 10 DGCDRN O=[N+]([O-])c1ccc2c(c1)CN(Cc1cc(F)c(F)cc1O)C2 ZINC001180072056 1099301916 /nfs/dbraw/zinc/30/19/16/1099301916.db2.gz MNCMQMUMHLVJIU-UHFFFAOYSA-N 0 0 306.268 3.094 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)N[C@@H]2COCc3ccccc32)cc1 ZINC001180129725 1099307416 /nfs/dbraw/zinc/30/74/16/1099307416.db2.gz DMYLGRXXNJWYEB-VSRDTVRMSA-N 0 0 322.408 3.154 20 10 DGCDRN Cc1cc2c(cn1)[C@H](NC(=O)/C=C/c1ccc(N(C)C)cc1)CC2 ZINC001180130207 1099308839 /nfs/dbraw/zinc/30/88/39/1099308839.db2.gz BGGQPBYUJLWGOF-SSGOSMAHSA-N 0 0 321.424 3.273 20 10 DGCDRN C[N@H+](CCOCc1ccccc1)Cc1cc(F)c(F)cc1[O-] ZINC001180108893 1099316915 /nfs/dbraw/zinc/31/69/15/1099316915.db2.gz ZWMJXKQEPRESSC-UHFFFAOYSA-N 0 0 307.340 3.319 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)Nc2cccc3nccn32)cc1 ZINC001180122339 1099321034 /nfs/dbraw/zinc/32/10/34/1099321034.db2.gz RXZYLUBPIKKQJM-DHZHZOJOSA-N 0 0 306.369 3.052 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)Nc2cccc3nsnc32)cc1 ZINC001180122294 1099321220 /nfs/dbraw/zinc/32/12/20/1099321220.db2.gz PYXWCOSQHUOPLK-DHZHZOJOSA-N 0 0 324.409 3.409 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)N2CC(C)(C)OC(C)(C)C2)cc1 ZINC001180126351 1099322636 /nfs/dbraw/zinc/32/26/36/1099322636.db2.gz ORSBTBLYWQYVNT-FMIVXFBMSA-N 0 0 316.445 3.182 20 10 DGCDRN CC(C)Oc1ncccc1-c1ccn(CC(F)(F)F)c(=O)c1 ZINC001236108218 1099396275 /nfs/dbraw/zinc/39/62/75/1099396275.db2.gz DQIYPJIUDAHHSR-UHFFFAOYSA-N 0 0 312.291 3.260 20 10 DGCDRN COc1cc(CC(=O)NCc2c(C)cc(C)cc2O)ccc1F ZINC001180428704 1099401657 /nfs/dbraw/zinc/40/16/57/1099401657.db2.gz ZFFIUCKDFAONQJ-UHFFFAOYSA-N 0 0 317.360 3.016 20 10 DGCDRN Cn1c2ccccc2nc1NC(=O)Nc1cc(F)cc(F)c1 ZINC001187540283 1099541818 /nfs/dbraw/zinc/54/18/18/1099541818.db2.gz OSRRSFARWKHTLW-UHFFFAOYSA-N 0 0 302.284 3.496 20 10 DGCDRN COc1cncc(-c2ccn(Cc3ccc(F)cc3)c(=O)c2)c1C ZINC001236394501 1099572915 /nfs/dbraw/zinc/57/29/15/1099572915.db2.gz WXIUKJXYVODOEC-UHFFFAOYSA-N 0 0 324.355 3.415 20 10 DGCDRN Cc1c(-c2ccc3ncc(=O)n(C)c3c2)cnn1-c1ccccc1 ZINC001236402605 1099576061 /nfs/dbraw/zinc/57/60/61/1099576061.db2.gz DZQDDFUXALVDBQ-UHFFFAOYSA-N 0 0 316.364 3.095 20 10 DGCDRN Oc1cncc(-c2ncnc3c2ccn3Cc2ccccc2F)c1 ZINC001236573776 1099685097 /nfs/dbraw/zinc/68/50/97/1099685097.db2.gz JJDYURSMDQYYCZ-UHFFFAOYSA-N 0 0 320.327 3.386 20 10 DGCDRN O=C(c1cccnc1-c1cncc(O)c1)N1CCc2ccccc21 ZINC001236577292 1099686217 /nfs/dbraw/zinc/68/62/17/1099686217.db2.gz FZSFTCPAOBNRNQ-UHFFFAOYSA-N 0 0 317.348 3.052 20 10 DGCDRN Cc1nccc(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)n1 ZINC001188180110 1099705033 /nfs/dbraw/zinc/70/50/33/1099705033.db2.gz PGCPAYGMNXYGGW-UHFFFAOYSA-N 0 0 318.380 3.214 20 10 DGCDRN COc1cc(CN2CCC(F)(F)C2)c(O)cc1Br ZINC001236745027 1099767529 /nfs/dbraw/zinc/76/75/29/1099767529.db2.gz LDZGNNAAJSIZGC-UHFFFAOYSA-N 0 0 322.149 3.004 20 10 DGCDRN CCOC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(CC)cc2O)C1 ZINC001236783864 1099781655 /nfs/dbraw/zinc/78/16/55/1099781655.db2.gz PFEKLHKARUUJHN-HNNXBMFYSA-N 0 0 305.418 3.120 20 10 DGCDRN COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236793575 1099786796 /nfs/dbraw/zinc/78/67/96/1099786796.db2.gz LFZBFQLIBTXAMS-SECBINFHSA-N 0 0 318.200 3.084 20 10 DGCDRN CCc1ccc(CN2CCN(C(=O)CC(C)(C)C)CC2)c(O)c1 ZINC001236791861 1099786937 /nfs/dbraw/zinc/78/69/37/1099786937.db2.gz MPDZRQJZBTVXAM-UHFFFAOYSA-N 0 0 318.461 3.035 20 10 DGCDRN COc1cc(O)c(CN2CCc3c(O)cccc3C2)c(Cl)c1 ZINC001236796859 1099789633 /nfs/dbraw/zinc/78/96/33/1099789633.db2.gz ACINKOYMKDTWHC-UHFFFAOYSA-N 0 0 319.788 3.318 20 10 DGCDRN COc1cc(O)c(CN2CC(F)(F)C[C@H]2CF)c(Cl)c1 ZINC001236797587 1099790403 /nfs/dbraw/zinc/79/04/03/1099790403.db2.gz HKJVWIJRYOKKHY-QMMMGPOBSA-N 0 0 309.715 3.233 20 10 DGCDRN Oc1cc(Cl)c(Cl)cc1CN1CC2(C1)CCCOC2 ZINC001236794331 1099790926 /nfs/dbraw/zinc/79/09/26/1099790926.db2.gz RLNVHJDKXRLBOG-UHFFFAOYSA-N 0 0 302.201 3.311 20 10 DGCDRN COc1ccc(C[NH+]2CC3(C2)C[C@H](F)CS3)c([O-])c1Cl ZINC001236805603 1099799076 /nfs/dbraw/zinc/79/90/76/1099799076.db2.gz BZYNACMGKYYHQP-JTQLQIEISA-N 0 0 317.813 3.084 20 10 DGCDRN COc1ccc(NC(=O)N[C@H](C)c2ccccc2O)cc1OC ZINC001188817539 1099869029 /nfs/dbraw/zinc/86/90/29/1099869029.db2.gz UOPILFXRLPYRQF-LLVKDONJSA-N 0 0 316.357 3.292 20 10 DGCDRN CCOc1ccc(CN2CC(Oc3ccc(F)cc3)C2)c(O)c1 ZINC001237042747 1099940252 /nfs/dbraw/zinc/94/02/52/1099940252.db2.gz GMPOACLFLICYBL-UHFFFAOYSA-N 0 0 317.360 3.193 20 10 DGCDRN CCOc1ccc(CN2CC(Oc3ccccc3F)C2)c(O)c1 ZINC001237041967 1099940483 /nfs/dbraw/zinc/94/04/83/1099940483.db2.gz BKTFATHQQJGBSK-UHFFFAOYSA-N 0 0 317.360 3.193 20 10 DGCDRN CCOC(=O)[C@@]12C[C@@H]1CCN2Cc1ccc(C(C)C)cc1O ZINC001237050537 1099944462 /nfs/dbraw/zinc/94/44/62/1099944462.db2.gz FQDGHVKXOZNFON-MAUKXSAKSA-N 0 0 303.402 3.043 20 10 DGCDRN [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1CC[C@@]2(CCCO2)C1 ZINC001237077115 1099956931 /nfs/dbraw/zinc/95/69/31/1099956931.db2.gz CYUUIEODBMLRAD-AWEZNQCLSA-N 0 0 302.201 3.454 20 10 DGCDRN COC(=O)[C@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237078416 1099959980 /nfs/dbraw/zinc/95/99/80/1099959980.db2.gz SLZDDTUOSGOPOU-VIFPVBQESA-N 0 0 318.200 3.084 20 10 DGCDRN Cc1ncc(CN(C)Cc2c(O)ccc(Cl)c2Cl)cn1 ZINC001237085339 1099964385 /nfs/dbraw/zinc/96/43/85/1099964385.db2.gz YDISDCMAAPUKFW-UHFFFAOYSA-N 0 0 312.200 3.429 20 10 DGCDRN CN(Cc1nccs1)Cc1c(O)cccc1OC(F)(F)F ZINC001237121943 1099982524 /nfs/dbraw/zinc/98/25/24/1099982524.db2.gz CSWMMISONFGAAP-UHFFFAOYSA-N 0 0 318.320 3.379 20 10 DGCDRN CCCC[NH+]1CCN(Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237125080 1099985173 /nfs/dbraw/zinc/98/51/73/1099985173.db2.gz QVKAXALTWKZPFF-UHFFFAOYSA-N 0 0 300.805 3.102 20 10 DGCDRN Oc1ccc(C(F)(F)F)cc1CN1CCc2ncsc2C1 ZINC001237141063 1099991477 /nfs/dbraw/zinc/99/14/77/1099991477.db2.gz UKNUJLDIQNJCNI-UHFFFAOYSA-N 0 0 314.332 3.426 20 10 DGCDRN CC(C)O[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237145532 1099992071 /nfs/dbraw/zinc/99/20/71/1099992071.db2.gz NUFIAAGMJIZLNX-ZDUSSCGKSA-N 0 0 303.324 3.410 20 10 DGCDRN CC[C@@H]1CO[C@@H](C)CN1Cc1ccc(Br)cc1O ZINC000691680197 1100028168 /nfs/dbraw/zinc/02/81/68/1100028168.db2.gz UDOBWZRUXYYTMU-GXFFZTMASA-N 0 0 314.223 3.154 20 10 DGCDRN Oc1cccc2c1CN(Cc1ccncc1C(F)(F)F)CC2 ZINC001237295181 1100067103 /nfs/dbraw/zinc/06/71/03/1100067103.db2.gz OBKLUNGYDGYJMR-UHFFFAOYSA-N 0 0 308.303 3.364 20 10 DGCDRN CCOC(=O)c1csc(CN(CC)Cc2ccccc2O)n1 ZINC001237350903 1100089153 /nfs/dbraw/zinc/08/91/53/1100089153.db2.gz OKFUFVMUBQCUNN-UHFFFAOYSA-N 0 0 320.414 3.048 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237384432 1100102732 /nfs/dbraw/zinc/10/27/32/1100102732.db2.gz WSGOFQFLNHYSMB-YGRLFVJLSA-N 0 0 315.244 3.273 20 10 DGCDRN COC(=O)c1cc(OC[C@@H]2CC2(Cl)Cl)ccc1N(C)C ZINC001189968250 1100159787 /nfs/dbraw/zinc/15/97/87/1100159787.db2.gz OZPYCQVJLOVELQ-VIFPVBQESA-N 0 0 318.200 3.112 20 10 DGCDRN COc1cc(C)c(S(=O)(=O)Nc2ccc(N)cc2)c(C)c1C ZINC001237605166 1100184828 /nfs/dbraw/zinc/18/48/28/1100184828.db2.gz ROJYJAGOWWDXDG-UHFFFAOYSA-N 0 0 320.414 3.003 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC2(C[C@@H]2CCO)CC1 ZINC001237618350 1100190290 /nfs/dbraw/zinc/19/02/90/1100190290.db2.gz YXYYEKHMFLDJQK-LBPRGKRZSA-N 0 0 313.800 3.169 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC(c2ncccn2)CC1 ZINC001237619940 1100190750 /nfs/dbraw/zinc/19/07/50/1100190750.db2.gz GCUMDUQUWVCBRA-UHFFFAOYSA-N 0 0 321.783 3.354 20 10 DGCDRN Oc1ccc(-c2ccc(F)cc2)cc1CN1CCn2ccnc2C1 ZINC001237642048 1100199776 /nfs/dbraw/zinc/19/97/76/1100199776.db2.gz XREYZUNFHSPIBY-UHFFFAOYSA-N 0 0 323.371 3.411 20 10 DGCDRN C[N@H+](Cc1cc(-c2ccc(F)cc2)ccc1O)[C@@H]1CCOC1 ZINC001237643730 1100201732 /nfs/dbraw/zinc/20/17/32/1100201732.db2.gz BDLWVYZLPRLKAQ-QGZVFWFLSA-N 0 0 301.361 3.419 20 10 DGCDRN OC[C@@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237643687 1100202078 /nfs/dbraw/zinc/20/20/78/1100202078.db2.gz PWZRPKUOMMMDFK-CYBMUJFWSA-N 0 0 301.361 3.013 20 10 DGCDRN CC[N@H+](Cc1cccs1)Cc1cc(OC)cc(OC)c1O ZINC001237679787 1100211809 /nfs/dbraw/zinc/21/18/09/1100211809.db2.gz FCAAZZFSOAMDCI-UHFFFAOYSA-N 0 0 307.415 3.493 20 10 DGCDRN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@](F)(CO)CC2)c1O ZINC001237681244 1100212845 /nfs/dbraw/zinc/21/28/45/1100212845.db2.gz MBKIIIPZLDSLSW-HNNXBMFYSA-N 0 0 301.789 3.041 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1cnc(C3CC3)s1)CCC2 ZINC001237791925 1100247452 /nfs/dbraw/zinc/24/74/52/1100247452.db2.gz SHSWQCOYMDSPDJ-UHFFFAOYSA-N 0 0 316.426 3.380 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2ccc(-n3cccc3)nc2)c(O)c1 ZINC001190401963 1100260773 /nfs/dbraw/zinc/26/07/73/1100260773.db2.gz CQSBNCKCRUWQFV-UHFFFAOYSA-N 0 0 321.380 3.125 20 10 DGCDRN O=S(=O)(Nc1ccc(O)c(F)c1)c1ccc(C2CC2)cc1 ZINC001190499987 1100280435 /nfs/dbraw/zinc/28/04/35/1100280435.db2.gz GBBAOJMIMYKNTF-UHFFFAOYSA-N 0 0 307.346 3.210 20 10 DGCDRN Oc1cc(Cl)c(F)cc1CN1CCc2c(O)cccc2C1 ZINC001237933612 1100296504 /nfs/dbraw/zinc/29/65/04/1100296504.db2.gz DWBFQMGPOJPCGQ-UHFFFAOYSA-N 0 0 307.752 3.449 20 10 DGCDRN C[C@H]1C[N@H+](Cc2cc(F)c(Cl)cc2[O-])CCC[C@@]1(C)O ZINC001237935040 1100296808 /nfs/dbraw/zinc/29/68/08/1100296808.db2.gz PDKDCFHRXUEIJP-ZUZCIYMTSA-N 0 0 301.789 3.168 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2cc(F)c(Cl)cc2[O-])CCC[C@]1(C)O ZINC001237935036 1100296978 /nfs/dbraw/zinc/29/69/78/1100296978.db2.gz PDKDCFHRXUEIJP-BMIGLBTASA-N 0 0 301.789 3.168 20 10 DGCDRN COc1ccc2c(c1)C[N@@H+](Cc1cc(F)cc(C)c1O)CC2 ZINC001238059001 1100345039 /nfs/dbraw/zinc/34/50/39/1100345039.db2.gz XDZBRWOLXRYDPK-UHFFFAOYSA-N 0 0 301.361 3.407 20 10 DGCDRN CN(C)c1ccc(C[N@H+](C)Cc2ccc(F)cc2C(=O)[O-])cc1 ZINC001238240899 1100403162 /nfs/dbraw/zinc/40/31/62/1100403162.db2.gz GYKKXUWEEFJCDC-UHFFFAOYSA-N 0 0 316.376 3.222 20 10 DGCDRN COc1cc(CN(C)Cc2ccc(N(C)C)cc2)c(Cl)cn1 ZINC001238364023 1100425722 /nfs/dbraw/zinc/42/57/22/1100425722.db2.gz NCMXWOBQJLSHHP-UHFFFAOYSA-N 0 0 319.836 3.442 20 10 DGCDRN CCCCc1ccc(S(=O)(=O)NCc2ccc(N)cc2)cc1 ZINC001238368509 1100426876 /nfs/dbraw/zinc/42/68/76/1100426876.db2.gz UBGMVJLFOZWGSC-UHFFFAOYSA-N 0 0 318.442 3.090 20 10 DGCDRN O=S(=O)(CC1CCCC1)Nc1ccc(O)cc1C(F)(F)F ZINC001191530285 1100479890 /nfs/dbraw/zinc/47/98/90/1100479890.db2.gz UWNDJZQUULIWSH-UHFFFAOYSA-N 0 0 323.336 3.343 20 10 DGCDRN Cc1cc(NC(=O)NCc2ccc(O)cc2O)ccc1Cl ZINC001191778958 1100518642 /nfs/dbraw/zinc/51/86/42/1100518642.db2.gz KGPYVGOLHNOVCU-UHFFFAOYSA-N 0 0 306.749 3.381 20 10 DGCDRN Cc1cc(O)cc(C)c1NS(=O)(=O)C(Cl)(Cl)Cl ZINC001192034894 1100565098 /nfs/dbraw/zinc/56/50/98/1100565098.db2.gz KALVSZFUJUAHST-UHFFFAOYSA-N 0 0 318.609 3.078 20 10 DGCDRN CCOc1cc(C)c(-c2ccn(Cc3cccnc3)c(=O)c2)cn1 ZINC001238978492 1100566905 /nfs/dbraw/zinc/56/69/05/1100566905.db2.gz WIKOLAAYDBBLDO-UHFFFAOYSA-N 0 0 321.380 3.061 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)Nc1ccc(OC(F)F)cc1 ZINC001192201751 1100584974 /nfs/dbraw/zinc/58/49/74/1100584974.db2.gz GACFWZPXGMJBHH-UHFFFAOYSA-N 0 0 324.283 3.021 20 10 DGCDRN CNc1ccc(-c2cc(N(C)c3ccccc3)ncn2)c(F)n1 ZINC001239410391 1100654102 /nfs/dbraw/zinc/65/41/02/1100654102.db2.gz KBOPAOKBLUOOAF-UHFFFAOYSA-N 0 0 309.348 3.487 20 10 DGCDRN O=S1(=O)CCN(c2ccc(/C=C/c3ccccc3)cc2)CC1 ZINC001239593178 1100697573 /nfs/dbraw/zinc/69/75/73/1100697573.db2.gz JBUBMTNFIISOQG-VOTSOKGWSA-N 0 0 313.422 3.092 20 10 DGCDRN COc1cc(C(=O)Nc2ccccc2C(C)C)cc(O)c1O ZINC001193081066 1100700016 /nfs/dbraw/zinc/70/00/16/1100700016.db2.gz KIYCWQNFPRZORC-UHFFFAOYSA-N 0 0 301.342 3.482 20 10 DGCDRN COc1cc(C(=O)N[C@H](C)c2cc(C)cc(C)c2)cc(O)c1O ZINC001193120267 1100707719 /nfs/dbraw/zinc/70/77/19/1100707719.db2.gz RMEWIYZHPNKRNI-GFCCVEGCSA-N 0 0 315.369 3.214 20 10 DGCDRN CN(CCCc1ccccc1)C(=O)c1ccc(O)c(O)c1Cl ZINC001193224807 1100717873 /nfs/dbraw/zinc/71/78/73/1100717873.db2.gz BBIITJFRVXAXIG-UHFFFAOYSA-N 0 0 319.788 3.456 20 10 DGCDRN Cc1cnc(Cl)c(NC(=O)c2ccc(O)c(O)c2Cl)c1 ZINC001193209418 1100718065 /nfs/dbraw/zinc/71/80/65/1100718065.db2.gz JZOMSYVWFFPPLP-UHFFFAOYSA-N 0 0 313.140 3.360 20 10 DGCDRN Cn1ccc2cc(NC(=O)c3ccc(O)c(O)c3Cl)ccc21 ZINC001193233213 1100719176 /nfs/dbraw/zinc/71/91/76/1100719176.db2.gz WIHPGBNRRLONCK-UHFFFAOYSA-N 0 0 316.744 3.495 20 10 DGCDRN CN(C)c1ccccc1NC(=O)c1ccc(O)c(O)c1Cl ZINC001193232252 1100719365 /nfs/dbraw/zinc/71/93/65/1100719365.db2.gz GHQYAHYZXKOFNR-UHFFFAOYSA-N 0 0 306.749 3.070 20 10 DGCDRN CC(C)(CNC(=O)c1ccc(O)c(O)c1Cl)c1ccccc1 ZINC001193236603 1100719543 /nfs/dbraw/zinc/71/95/43/1100719543.db2.gz JDBNFCJEOZKOQE-UHFFFAOYSA-N 0 0 319.788 3.459 20 10 DGCDRN Cc1n[nH]c2cc(NC(=O)c3ccc(O)c(O)c3Cl)ccc12 ZINC001193230583 1100722599 /nfs/dbraw/zinc/72/25/99/1100722599.db2.gz WLAGGFJAXGZFTL-UHFFFAOYSA-N 0 0 317.732 3.188 20 10 DGCDRN Cc1sccc1C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001193376429 1100735992 /nfs/dbraw/zinc/73/59/92/1100735992.db2.gz RKOCRWAOSMJYOS-UHFFFAOYSA-N 0 0 303.383 3.056 20 10 DGCDRN COc1cccc(-c2cc(C(=O)NCc3ccccc3O)c[nH]2)c1 ZINC001193857492 1100828230 /nfs/dbraw/zinc/82/82/30/1100828230.db2.gz NMLAHDPBYVMRJL-UHFFFAOYSA-N 0 0 322.364 3.326 20 10 DGCDRN Cc1nn(C)c(C)c1-c1ncnc2c1ccn2Cc1ccccc1 ZINC001240141740 1100877658 /nfs/dbraw/zinc/87/76/58/1100877658.db2.gz HFJXSKQLBMAWID-UHFFFAOYSA-N 0 0 317.396 3.497 20 10 DGCDRN Cc1n[nH]cc1-c1nnc(C)cc1-c1nc2ccccc2n1C ZINC001240519198 1101033131 /nfs/dbraw/zinc/03/31/31/1101033131.db2.gz PPKUQFNPWXHVSR-UHFFFAOYSA-N 0 0 304.357 3.037 20 10 DGCDRN Cn1ccc2ccc(-c3ccc(=O)n(Cc4ccccn4)c3)cc21 ZINC001240575924 1101056930 /nfs/dbraw/zinc/05/69/30/1101056930.db2.gz KCHLDAZGAAGSFQ-UHFFFAOYSA-N 0 0 315.376 3.450 20 10 DGCDRN C[Si](C)(C)CCS(=O)(=O)Nc1ccc(O)c(Cl)c1 ZINC001195071655 1101063489 /nfs/dbraw/zinc/06/34/89/1101063489.db2.gz FBGPXWUAPYNZPX-UHFFFAOYSA-N 0 0 307.875 3.126 20 10 DGCDRN COc1cc2c(c(OC)c1)N(C[C@H]1CC[C@H](C3CC3)O1)CCC2 ZINC001195176580 1101092407 /nfs/dbraw/zinc/09/24/07/1101092407.db2.gz BBYUZARWQZVKQA-NVXWUHKLSA-N 0 0 317.429 3.414 20 10 DGCDRN Cn1cnc(NC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)n1 ZINC001195253934 1101106958 /nfs/dbraw/zinc/10/69/58/1101106958.db2.gz HSWBBPVWYVUARS-FMQUCBEESA-N 0 0 322.328 3.188 20 10 DGCDRN CCOC(=O)c1cc2c(cc(C)nc2-c2cccnc2C)n1C ZINC001240723583 1101110249 /nfs/dbraw/zinc/11/02/49/1101110249.db2.gz NGPIYYWOCBIKQA-UHFFFAOYSA-N 0 0 309.369 3.429 20 10 DGCDRN O=C(c1nccc(Cl)c1Cl)N1CCc2cccc(O)c2C1 ZINC001195456647 1101137649 /nfs/dbraw/zinc/13/76/49/1101137649.db2.gz OCKGDPWPULHAIA-UHFFFAOYSA-N 0 0 323.179 3.293 20 10 DGCDRN CC(C)Oc1ccc(-c2ccn(Cc3ccncc3)c(=O)c2)cn1 ZINC001240809677 1101144798 /nfs/dbraw/zinc/14/47/98/1101144798.db2.gz BBSXGNLOJBZRNK-UHFFFAOYSA-N 0 0 321.380 3.141 20 10 DGCDRN COc1ccc(NC(=S)N[C@@H](C)c2ccccc2O)cc1 ZINC001195720892 1101187990 /nfs/dbraw/zinc/18/79/90/1101187990.db2.gz QMPWFNGUZLTFFX-NSHDSACASA-N 0 0 302.399 3.448 20 10 DGCDRN COc1ccc(NC(=S)NCc2nc(C)ccc2F)cc1 ZINC001195721575 1101189047 /nfs/dbraw/zinc/18/90/47/1101189047.db2.gz ZZMWHERXMHOOLC-UHFFFAOYSA-N 0 0 305.378 3.024 20 10 DGCDRN Cn1ccc(-c2ccc(OCc3ccc(F)cc3)nc2)cc1=O ZINC001240998227 1101215617 /nfs/dbraw/zinc/21/56/17/1101215617.db2.gz OVOLTBPCKDCIDT-UHFFFAOYSA-N 0 0 310.328 3.165 20 10 DGCDRN Cc1ccc(F)cc1NC(=S)NCCc1ccc(O)c(O)c1 ZINC001195925521 1101222365 /nfs/dbraw/zinc/22/23/65/1101222365.db2.gz DEANSSYLJYUGDQ-UHFFFAOYSA-N 0 0 320.389 3.074 20 10 DGCDRN COc1cccc(NC(=S)NCc2cccc(Cl)n2)c1 ZINC001196067077 1101241250 /nfs/dbraw/zinc/24/12/50/1101241250.db2.gz ZQSPORUISAREFJ-UHFFFAOYSA-N 0 0 307.806 3.230 20 10 DGCDRN COc1ccc2ncnc(C3=CCN(c4ccccc4)CC3)c2n1 ZINC001241346513 1101393679 /nfs/dbraw/zinc/39/36/79/1101393679.db2.gz USXVOSFLAMCPDO-UHFFFAOYSA-N 0 0 318.380 3.327 20 10 DGCDRN COC(=O)c1cc(C2=CCN(c3ccccc3)CC2)cnc1F ZINC001241351663 1101396319 /nfs/dbraw/zinc/39/63/19/1101396319.db2.gz AYJZSAMOLFAQDW-UHFFFAOYSA-N 0 0 312.344 3.301 20 10 DGCDRN CC(C)Cn1cc(C2=CCN(c3ccccc3)CC2)cnc1=O ZINC001241355337 1101399578 /nfs/dbraw/zinc/39/95/78/1101399578.db2.gz XWLWKZVSXPXGSX-UHFFFAOYSA-N 0 0 309.413 3.193 20 10 DGCDRN COC(=O)c1cnc(C)c(C2=CCN(c3ccccc3)CC2)c1 ZINC001241359705 1101401609 /nfs/dbraw/zinc/40/16/09/1101401609.db2.gz AOOOYBIQHRRXOU-UHFFFAOYSA-N 0 0 308.381 3.470 20 10 DGCDRN CN(C)c1ccc(-c2ccn(Cc3ccccc3F)c(=O)c2)cn1 ZINC001241372434 1101412779 /nfs/dbraw/zinc/41/27/79/1101412779.db2.gz OFWDFTFCBTVPFU-UHFFFAOYSA-N 0 0 323.371 3.164 20 10 DGCDRN Oc1cccc2c1CN(C(=S)Nc1ccc(F)cc1)CC2 ZINC001196932723 1101428640 /nfs/dbraw/zinc/42/86/40/1101428640.db2.gz MRNMZWVPRKHDGR-UHFFFAOYSA-N 0 0 302.374 3.286 20 10 DGCDRN COc1ncc(-c2ccn(Cc3cccc(F)c3)c(=O)c2)s1 ZINC001241414681 1101442814 /nfs/dbraw/zinc/44/28/14/1101442814.db2.gz CSSJFIRPMFOEPN-UHFFFAOYSA-N 0 0 316.357 3.168 20 10 DGCDRN Cn1cc2cccc(-c3ccn(Cc4ccccc4)c(=O)c3)c2n1 ZINC001241471359 1101487915 /nfs/dbraw/zinc/48/79/15/1101487915.db2.gz YMIRAPVHCYBUOV-UHFFFAOYSA-N 0 0 315.376 3.450 20 10 DGCDRN CC(C)(C)C(=O)OCn1ccc2c1ncnc2-c1cncs1 ZINC001241494963 1101510205 /nfs/dbraw/zinc/51/02/05/1101510205.db2.gz GCMAFKXMIWFKKV-UHFFFAOYSA-N 0 0 316.386 3.102 20 10 DGCDRN Cc1c(C)n(Cc2ccco2)c2ncnc(C3=CCC[N@@H+](C)C3)c12 ZINC001241567464 1101549380 /nfs/dbraw/zinc/54/93/80/1101549380.db2.gz DAJOMXZRJCKAEO-UHFFFAOYSA-N 0 0 322.412 3.408 20 10 DGCDRN Cn1c(=O)cnc2ccc(-c3cnn(C4CCCCC4)c3)cc21 ZINC001241840885 1101742623 /nfs/dbraw/zinc/74/26/23/1101742623.db2.gz NJHWGAFEPLQQOC-UHFFFAOYSA-N 0 0 308.385 3.302 20 10 DGCDRN O=c1cc(-c2cnccc2C(F)(F)F)ccn1CC(F)(F)F ZINC001242278794 1102023387 /nfs/dbraw/zinc/02/33/87/1102023387.db2.gz SNISTCWUGBOGQU-UHFFFAOYSA-N 0 0 322.208 3.491 20 10 DGCDRN Nc1ccc(OCCOc2ccc(Nc3cnoc3)cc2)cc1 ZINC001203244518 1102063723 /nfs/dbraw/zinc/06/37/23/1102063723.db2.gz BTJHYBXIBKYUEE-UHFFFAOYSA-N 0 0 311.341 3.458 20 10 DGCDRN Cc1cc(C(=O)NCc2c(C)cc(C)cc2O)n(CC(C)C)n1 ZINC001199094704 1102064628 /nfs/dbraw/zinc/06/46/28/1102064628.db2.gz ZRFVNTVTPKRZCB-UHFFFAOYSA-N 0 0 315.417 3.100 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1cccc([N+](=O)[O-])c1 ZINC001199414262 1102135936 /nfs/dbraw/zinc/13/59/36/1102135936.db2.gz WYVJJGWVYAODNT-VIFPVBQESA-N 0 0 308.284 3.429 20 10 DGCDRN Cc1cc(-c2nccn2C)c(-c2cnc3sccc3c2)nn1 ZINC001242680010 1102282125 /nfs/dbraw/zinc/28/21/25/1102282125.db2.gz GLKGRPRWIFSEFK-UHFFFAOYSA-N 0 0 307.382 3.462 20 10 DGCDRN O=c1cc(-c2cnn3ccccc23)ccn1Cc1ccccc1F ZINC001242967462 1102447291 /nfs/dbraw/zinc/44/72/91/1102447291.db2.gz UNFLOHSWOOKEJN-UHFFFAOYSA-N 0 0 319.339 3.350 20 10 DGCDRN FC(F)Cn1cc(NCc2ccc(N3CCCC3)cc2)cn1 ZINC001201192779 1102512997 /nfs/dbraw/zinc/51/29/97/1102512997.db2.gz YXOXUKRODMZFSB-UHFFFAOYSA-N 0 0 306.360 3.361 20 10 DGCDRN COCCn1ccc2c1ncnc2-c1ccc(Cl)nc1Cl ZINC001243085640 1102516030 /nfs/dbraw/zinc/51/60/30/1102516030.db2.gz RMMZZRIOJCKRLE-UHFFFAOYSA-N 0 0 323.183 3.447 20 10 DGCDRN Cn1c(=O)oc2cc(NCc3cc(Cl)cc(F)c3O)ccc21 ZINC001201209732 1102521490 /nfs/dbraw/zinc/52/14/90/1102521490.db2.gz MTUUGYINLQMMKD-UHFFFAOYSA-N 0 0 322.723 3.242 20 10 DGCDRN CC(C)Nc1ccc(Nc2ccc3c(c2)C(=O)NCCO3)cc1 ZINC001201497083 1102612411 /nfs/dbraw/zinc/61/24/11/1102612411.db2.gz CEUCKUMNVKGILA-UHFFFAOYSA-N 0 0 311.385 3.373 20 10 DGCDRN COc1ccccc1NC(=O)NCc1c(C)cc(C)cc1O ZINC001202132928 1102848887 /nfs/dbraw/zinc/84/88/87/1102848887.db2.gz ZEKQKTPMXDOWFX-UHFFFAOYSA-N 0 0 300.358 3.339 20 10 DGCDRN CCn1cc(-c2cc(N3CCc4ccccc43)ncn2)ccc1=O ZINC001243838131 1103002739 /nfs/dbraw/zinc/00/27/39/1103002739.db2.gz WCUAHBCEZUSJGK-UHFFFAOYSA-N 0 0 318.380 3.019 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2cnc3nccnc3c2)cn1 ZINC001244043251 1103164422 /nfs/dbraw/zinc/16/44/22/1103164422.db2.gz GXXYXGJPAPYXRH-UHFFFAOYSA-N 0 0 301.353 3.494 20 10 DGCDRN Nc1ccc(OC(F)(F)F)cc1-c1ccn(CC2CC2)c(=O)c1 ZINC001244195120 1103272410 /nfs/dbraw/zinc/27/24/10/1103272410.db2.gz XEMFRXJURSHBPR-UHFFFAOYSA-N 0 0 324.302 3.406 20 10 DGCDRN CC(C)Cn1ccc(-c2cnc(Br)s2)cc1=O ZINC001244907476 1103754738 /nfs/dbraw/zinc/75/47/38/1103754738.db2.gz ISOHIIHUNNMHNY-UHFFFAOYSA-N 0 0 313.220 3.390 20 10 DGCDRN Cc1cc(Cl)ncc1-c1ccn(Cc2ccccn2)c(=O)c1 ZINC001244919585 1103760440 /nfs/dbraw/zinc/76/04/40/1103760440.db2.gz YMBJOCAIAUPPSE-UHFFFAOYSA-N 0 0 311.772 3.315 20 10 DGCDRN O=c1cc(-c2cncc(OCC3CC3)c2)ccn1CC(F)(F)F ZINC001245246750 1103934078 /nfs/dbraw/zinc/93/40/78/1103934078.db2.gz HDCZDEZSTVQBEL-UHFFFAOYSA-N 0 0 324.302 3.261 20 10 DGCDRN c1ccc2nc(NCc3ccc(N4CCOCC4)cc3)ncc2c1 ZINC001328556040 1103979856 /nfs/dbraw/zinc/97/98/56/1103979856.db2.gz DTJBBCRELDWRMM-UHFFFAOYSA-N 0 0 320.396 3.079 20 10 DGCDRN CN(c1ccccc1)c1cc(-c2cnc3c(cnn3C)c2)ncn1 ZINC001245469774 1104076903 /nfs/dbraw/zinc/07/69/03/1104076903.db2.gz LNPXXNVEDMGEHR-UHFFFAOYSA-N 0 0 316.368 3.193 20 10 DGCDRN CCc1[nH]nc(NCc2c(O)cccc2Br)c1C ZINC001329140003 1104167807 /nfs/dbraw/zinc/16/78/07/1104167807.db2.gz IFLCSNXQXOHLCH-UHFFFAOYSA-N 0 0 310.195 3.361 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CC[C@H]2Cc2ccccc2)cc1 ZINC001137240287 1104193504 /nfs/dbraw/zinc/19/35/04/1104193504.db2.gz XHWODARJKPPSGY-INIZCTEOSA-N 0 0 322.368 3.306 20 10 DGCDRN CCOc1ccc(N2CCC[C@@]23CCN([C@@H](C)CC)C3=O)cc1 ZINC001274789971 1104490029 /nfs/dbraw/zinc/49/00/29/1104490029.db2.gz FINJZTFIUWTVHJ-KXBFYZLASA-N 0 0 316.445 3.455 20 10 DGCDRN CCCCN1CCC2(CCN(c3ccc(OC)cc3)CC2)C1=O ZINC001274791275 1104491842 /nfs/dbraw/zinc/49/18/42/1104491842.db2.gz RMARSTRQXBDEOM-UHFFFAOYSA-N 0 0 316.445 3.314 20 10 DGCDRN COc1ccc(N2CCCC[C@]23CC(=O)N(CC(C)C)C3)cc1 ZINC001274789485 1104493546 /nfs/dbraw/zinc/49/35/46/1104493546.db2.gz CZLOFQHUPBZFHW-LJQANCHMSA-N 0 0 316.445 3.313 20 10 DGCDRN CCOc1ccc(N2CC[C@]3(CCN(CC(C)C)C3=O)C2)cc1 ZINC001274798583 1104495513 /nfs/dbraw/zinc/49/55/13/1104495513.db2.gz LOOHZTUOVJULTE-LJQANCHMSA-N 0 0 316.445 3.170 20 10 DGCDRN CC[C@@H](C)N1CC[C@]2(CCN(c3ccc(OC)c(F)c3)C2)C1=O ZINC001274861146 1104524092 /nfs/dbraw/zinc/52/40/92/1104524092.db2.gz GRKBIXFGJNCCHN-ACJLOTCBSA-N 0 0 320.408 3.062 20 10 DGCDRN CCC1(C(=O)NCc2cc(O)ccc2O)CCC(F)(F)CC1 ZINC001303225141 1104579402 /nfs/dbraw/zinc/57/94/02/1104579402.db2.gz ACBQUWVJZWNSLD-UHFFFAOYSA-N 0 0 313.344 3.320 20 10 DGCDRN Cc1cc(C(=O)Nc2nccn2C)c(C)n1-c1ccc(F)cc1 ZINC001299418783 1104587503 /nfs/dbraw/zinc/58/75/03/1104587503.db2.gz SQGDZTKMBHEGSY-UHFFFAOYSA-N 0 0 312.348 3.219 20 10 DGCDRN Oc1ccc(Cc2nc(-c3ccc(F)c(F)c3)no2)cc1O ZINC001247959193 1105021397 /nfs/dbraw/zinc/02/13/97/1105021397.db2.gz LULBUELDZNHQJC-UHFFFAOYSA-N 0 0 304.252 3.017 20 10 DGCDRN Cc1noc2ccc(-c3noc(Cc4ccc(O)c(O)c4)n3)cc12 ZINC001247962138 1105022546 /nfs/dbraw/zinc/02/25/46/1105022546.db2.gz VZUGXQICLBBIJP-UHFFFAOYSA-N 0 0 323.308 3.188 20 10 DGCDRN Nc1ccc(Cc2nc(-c3cncc(C(F)(F)F)c3)no2)cc1 ZINC001248184223 1105062745 /nfs/dbraw/zinc/06/27/45/1105062745.db2.gz RECHJBYTAUWBMB-UHFFFAOYSA-N 0 0 320.274 3.323 20 10 DGCDRN CN(Cc1ccccc1O)C(=S)Nc1cc(F)ccc1F ZINC001248578842 1105131805 /nfs/dbraw/zinc/13/18/05/1105131805.db2.gz SNTCMWBFTWDBJI-UHFFFAOYSA-N 0 0 308.353 3.499 20 10 DGCDRN COC(C[N@H+](C)Cc1cc(Cl)c(C(C)(C)C)cc1O)OC ZINC001248884177 1105186597 /nfs/dbraw/zinc/18/65/97/1105186597.db2.gz YSIARFBTGCUADS-UHFFFAOYSA-N 0 0 315.841 3.394 20 10 DGCDRN CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249252163 1105256694 /nfs/dbraw/zinc/25/66/94/1105256694.db2.gz HHXLTADZULHNED-MRXNPFEDSA-N 0 0 317.429 3.312 20 10 DGCDRN C[C@@H](NC(=S)NCc1ccccc1O)c1ccc(F)cc1 ZINC001249614700 1105332514 /nfs/dbraw/zinc/33/25/14/1105332514.db2.gz ZLHAPKKZWSROGU-LLVKDONJSA-N 0 0 304.390 3.257 20 10 DGCDRN COc1ccc(C)cc1NC(=S)NCc1nc(C)ccc1F ZINC001249679128 1105352580 /nfs/dbraw/zinc/35/25/80/1105352580.db2.gz ZMWQRNABELWTSK-UHFFFAOYSA-N 0 0 319.405 3.333 20 10 DGCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1-c1cnc(N)c(F)c1 ZINC001249756062 1105375042 /nfs/dbraw/zinc/37/50/42/1105375042.db2.gz UDWGDVKWAONSKT-CJNJIMMHSA-N 0 0 323.335 3.071 20 10 DGCDRN CC(C)Oc1cc(F)c(N(CCO)c2ccc(N)cc2)c(F)c1 ZINC001249775829 1105379305 /nfs/dbraw/zinc/37/93/05/1105379305.db2.gz FXJJXMPVGPGMFF-UHFFFAOYSA-N 0 0 322.355 3.465 20 10 DGCDRN Cc1cc(CN2CCC[C@@H](F)C2)c(O)cc1Br ZINC001250129141 1105449347 /nfs/dbraw/zinc/44/93/47/1105449347.db2.gz YUNPZANCLARKKB-LLVKDONJSA-N 0 0 302.187 3.397 20 10 DGCDRN COCCn1c(-c2ccc(O)c(O)c2)nc2cccc(Cl)c21 ZINC001250464603 1105518272 /nfs/dbraw/zinc/51/82/72/1105518272.db2.gz FSKUWCWSSJSXEL-UHFFFAOYSA-N 0 0 318.760 3.414 20 10 DGCDRN CCOc1ccc2nc(-c3cc(O)c(O)c(OC)c3)n(C)c2c1 ZINC001250488466 1105523503 /nfs/dbraw/zinc/52/35/03/1105523503.db2.gz HZZMPYUUGPCVSA-UHFFFAOYSA-N 0 0 314.341 3.059 20 10 DGCDRN COc1cc(-c2nc3c(ccc4ncccc34)n2C)cc(O)c1O ZINC001250488917 1105523893 /nfs/dbraw/zinc/52/38/93/1105523893.db2.gz RKYXMQNVZUVFRK-UHFFFAOYSA-N 0 0 321.336 3.208 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cc2c([nH]1)CCCC2 ZINC001137443492 1105524537 /nfs/dbraw/zinc/52/45/37/1105524537.db2.gz RWBWWCUJGPAXPD-UHFFFAOYSA-N 0 0 324.424 3.408 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCCc2nccs2)c1 ZINC001137473643 1105529166 /nfs/dbraw/zinc/52/91/66/1105529166.db2.gz QBLLGGOOYZURNW-LLVKDONJSA-N 0 0 320.414 3.057 20 10 DGCDRN CCn1c2ccc3ncccc3c2nc1-c1cc(O)c(O)c(O)c1 ZINC001251248231 1105643965 /nfs/dbraw/zinc/64/39/65/1105643965.db2.gz GWYFYRGBNIGEOE-UHFFFAOYSA-N 0 0 321.336 3.388 20 10 DGCDRN CC/C=C/CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001251361988 1105653658 /nfs/dbraw/zinc/65/36/58/1105653658.db2.gz SWCORKOTFGNFRB-SNAWJCMRSA-N 0 0 301.434 3.394 20 10 DGCDRN COc1ccc(NC[C@H](C)O)c(C(=O)c2ccc(Cl)cc2)c1 ZINC001251964831 1105715675 /nfs/dbraw/zinc/71/56/75/1105715675.db2.gz QEYZDZNUPADULS-NSHDSACASA-N 0 0 319.788 3.372 20 10 DGCDRN CCc1cccc(CNC(=O)NCc2c(O)cccc2F)c1 ZINC001252561438 1105794219 /nfs/dbraw/zinc/79/42/19/1105794219.db2.gz HOLSGOMEYIMZDE-UHFFFAOYSA-N 0 0 302.349 3.093 20 10 DGCDRN Cc1ccc(-c2nnc([C@H](O)c3ccc(N(C)C)cc3)o2)cc1 ZINC001252662890 1105812316 /nfs/dbraw/zinc/81/23/16/1105812316.db2.gz ASFSIVSJDBNODJ-MRXNPFEDSA-N 0 0 309.369 3.193 20 10 DGCDRN Oc1ccc(Cc2nnc(-c3cccc(Cl)c3)o2)cc1O ZINC001253756610 1105981269 /nfs/dbraw/zinc/98/12/69/1105981269.db2.gz OZNRWSSWSQMKLW-UHFFFAOYSA-N 0 0 302.717 3.392 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCc1ccc(O)c(Cl)c1 ZINC001254936876 1106156848 /nfs/dbraw/zinc/15/68/48/1106156848.db2.gz XXPGTENYGCEVSX-UHFFFAOYSA-N 0 0 320.776 3.093 20 10 DGCDRN C[C@H](NC(=O)N1CC2CCC1CC2)c1ccc(N(C)C)cc1 ZINC001255140569 1106189312 /nfs/dbraw/zinc/18/93/12/1106189312.db2.gz QDYKXHUAIZKWJP-CBCUQQMYSA-N 0 0 301.434 3.398 20 10 DGCDRN COc1ccc(N2CCN([C@H](C)CC(F)(F)F)CC2)c(C)c1 ZINC001255665465 1106290057 /nfs/dbraw/zinc/29/00/57/1106290057.db2.gz YDBWVNKLXOALBP-CYBMUJFWSA-N 0 0 316.367 3.467 20 10 DGCDRN COc1ccc(CNC(=O)Nc2ccc3cc[nH]c3c2)c(O)c1 ZINC001256435532 1106422498 /nfs/dbraw/zinc/42/24/98/1106422498.db2.gz SUNVPCQHSXEDJS-UHFFFAOYSA-N 0 0 311.341 3.204 20 10 DGCDRN O=c1ccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)c[nH]1 ZINC001256940397 1106514466 /nfs/dbraw/zinc/51/44/66/1106514466.db2.gz FGWXRDSFYPJJGN-UHFFFAOYSA-N 0 0 304.309 3.295 20 10 DGCDRN CN(C)c1ncc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)o1 ZINC001256940644 1106514567 /nfs/dbraw/zinc/51/45/67/1106514567.db2.gz JRMCDIHLWFVLDP-UHFFFAOYSA-N 0 0 321.340 3.248 20 10 DGCDRN Cc1cc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)nn1C ZINC001256941249 1106514637 /nfs/dbraw/zinc/51/46/37/1106514637.db2.gz VSCNGBYUNFCAPD-UHFFFAOYSA-N 0 0 305.341 3.236 20 10 DGCDRN Cc1cc(Cc2nnc(-c3ccc(-n4cccc4)cc3)o2)n(C)n1 ZINC001256957066 1106515511 /nfs/dbraw/zinc/51/55/11/1106515511.db2.gz FFLMFJAELNIPRG-UHFFFAOYSA-N 0 0 319.368 3.160 20 10 DGCDRN Cc1cnn(C)c1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256980837 1106520479 /nfs/dbraw/zinc/52/04/79/1106520479.db2.gz FHMBPVFWXVHLSF-UHFFFAOYSA-N 0 0 305.341 3.236 20 10 DGCDRN Oc1ccc(-c2nnc(-c3ccc4c(c3)CCC4)o2)c(O)c1O ZINC001258175336 1106687710 /nfs/dbraw/zinc/68/77/10/1106687710.db2.gz QOTDMCOGGGQNEP-UHFFFAOYSA-N 0 0 310.309 3.009 20 10 DGCDRN CCOC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC001320481830 1107019419 /nfs/dbraw/zinc/01/94/19/1107019419.db2.gz ZVCWOZYZIUTMPT-LBPRGKRZSA-N 0 0 315.772 3.102 20 10 DGCDRN Cc1ccc(S(=O)(=O)Nc2ccc(O)c(F)c2)cc1Cl ZINC001259134766 1107084035 /nfs/dbraw/zinc/08/40/35/1107084035.db2.gz FWSPAHIBBVWZSS-UHFFFAOYSA-N 0 0 315.753 3.294 20 10 DGCDRN Cc1ccc(S(=O)(=O)Nc2cc(F)c(O)c(F)c2)cc1C ZINC001259167165 1107088252 /nfs/dbraw/zinc/08/82/52/1107088252.db2.gz BDPUWQFOFFOYDH-UHFFFAOYSA-N 0 0 313.325 3.088 20 10 DGCDRN CC(=O)c1ccc(S(=O)(=O)Nc2c(C)cc(O)cc2C)cc1 ZINC001259177100 1107092942 /nfs/dbraw/zinc/09/29/42/1107092942.db2.gz ABCSWTNEVOKYPR-UHFFFAOYSA-N 0 0 319.382 3.012 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001299575363 1107125442 /nfs/dbraw/zinc/12/54/42/1107125442.db2.gz ZFPVULWKXFYQTL-LSDHHAIUSA-N 0 0 317.772 3.171 20 10 DGCDRN Cc1cccc(CS(=O)(=O)Nc2c(C)cc(O)cc2C)c1 ZINC001259749056 1107189358 /nfs/dbraw/zinc/18/93/58/1107189358.db2.gz CKJVROPPQFLDJF-UHFFFAOYSA-N 0 0 305.399 3.259 20 10 DGCDRN Cc1cc(O)cc(C)c1NS(=O)(=O)c1ccc2c(c1)CCC2 ZINC001259861486 1107214344 /nfs/dbraw/zinc/21/43/44/1107214344.db2.gz NKGOKAUDFHQMTQ-UHFFFAOYSA-N 0 0 317.410 3.299 20 10 DGCDRN COc1ccc(S(=O)(=O)Nc2cc(C)c(O)cc2C)cc1C ZINC001260637731 1107289130 /nfs/dbraw/zinc/28/91/30/1107289130.db2.gz MSSXIPFIYMPUFP-UHFFFAOYSA-N 0 0 321.398 3.127 20 10 DGCDRN CC[C@@H](C)S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC001260740004 1107309372 /nfs/dbraw/zinc/30/93/72/1107309372.db2.gz NYTYABCMAIFVCR-CYBMUJFWSA-N 0 0 317.410 3.458 20 10 DGCDRN O=C(/C=C/c1ccccc1F)NCc1ccc2cccnc2c1O ZINC001299726014 1107332679 /nfs/dbraw/zinc/33/26/79/1107332679.db2.gz PQVPXKKSWYOHCQ-MDZDMXLPSA-N 0 0 322.339 3.409 20 10 DGCDRN CC[C@H](Nc1ccc(NC(C)=O)cn1)c1ccc(F)cc1O ZINC001322451269 1107676751 /nfs/dbraw/zinc/67/67/51/1107676751.db2.gz GEEXJIKNPQBIQX-AWEZNQCLSA-N 0 0 303.337 3.448 20 10 DGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccns1 ZINC001262621201 1107746624 /nfs/dbraw/zinc/74/66/24/1107746624.db2.gz BQPPTHRBZZUIKN-UHFFFAOYSA-N 0 0 301.415 3.063 20 10 DGCDRN CCc1cccc(NC(=O)CN(C)c2ccc3c(c2)OCO3)c1 ZINC001323016550 1107807622 /nfs/dbraw/zinc/80/76/22/1107807622.db2.gz RIEOGRDKNDWKLZ-UHFFFAOYSA-N 0 0 312.369 3.053 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)c1ccc(Cl)cn1 ZINC001323418536 1107969752 /nfs/dbraw/zinc/96/97/52/1107969752.db2.gz LNFLOKVRWWAGJO-UHFFFAOYSA-N 0 0 309.112 3.177 20 10 DGCDRN C[C@@H](NC(=O)c1csc(Cc2ccc(N)cc2)n1)C1CCC1 ZINC001263273453 1107993015 /nfs/dbraw/zinc/99/30/15/1107993015.db2.gz CWFABFKQXSZEBK-LLVKDONJSA-N 0 0 315.442 3.235 20 10 DGCDRN C[C@H]1CN(Cc2cc(F)ccc2O)c2ccccc2NC1=O ZINC001324334872 1108254385 /nfs/dbraw/zinc/25/43/85/1108254385.db2.gz AZUYUCOAHBUJEU-NSHDSACASA-N 0 0 300.333 3.126 20 10 DGCDRN CCN(CC)c1ccc(CN[C@@H](C)c2noc(C)n2)cc1F ZINC001324454675 1108296257 /nfs/dbraw/zinc/29/62/57/1108296257.db2.gz FXKXCOUHQRSBPH-NSHDSACASA-N 0 0 306.385 3.214 20 10 DGCDRN Cc1cccc(F)c1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001319061215 1108298757 /nfs/dbraw/zinc/29/87/57/1108298757.db2.gz UBMMOONGWBOQJB-UHFFFAOYSA-N 0 0 300.377 3.472 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)C[C@@H]3C=CCC3)CC2)cc1 ZINC001319381924 1108438858 /nfs/dbraw/zinc/43/88/58/1108438858.db2.gz WAFRYAOZJAPPKZ-MRXNPFEDSA-N 0 0 314.429 3.090 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ncccc1F ZINC001264287176 1108455832 /nfs/dbraw/zinc/45/58/32/1108455832.db2.gz MJNMPOOWBTXIQF-UHFFFAOYSA-N 0 0 313.376 3.093 20 10 DGCDRN COc1cc(/C=C2/SC(=S)N(C3CC3)C2=O)ccc1F ZINC001319468495 1108482859 /nfs/dbraw/zinc/48/28/59/1108482859.db2.gz YYIJLKGQDJCJIK-KPKJPENVSA-N 0 0 309.387 3.198 20 10 DGCDRN COc1cc(/C=C2\SC(N3CCCCC3)=NC2=O)ccc1F ZINC001319477416 1108486806 /nfs/dbraw/zinc/48/68/06/1108486806.db2.gz AQNHAJQUFVBRED-UVTDQMKNSA-N 0 0 320.389 3.291 20 10 DGCDRN O=C(Nc1nc2cc(F)c(F)cc2s1)c1cccc(O)c1O ZINC001324922814 1108513539 /nfs/dbraw/zinc/51/35/39/1108513539.db2.gz ZABOFUPMLKRXAB-UHFFFAOYSA-N 0 0 322.292 3.238 20 10 DGCDRN COc1ccc(N2CCN(Cc3nc(C)sc3C)CC2)cc1 ZINC001319639422 1108569721 /nfs/dbraw/zinc/56/97/21/1108569721.db2.gz RTZBOJMQCCOSRA-UHFFFAOYSA-N 0 0 317.458 3.091 20 10 DGCDRN C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC001325357006 1108631161 /nfs/dbraw/zinc/63/11/61/1108631161.db2.gz NGSWMWPVZHEFOO-UWVGGRQHSA-N 0 0 315.360 3.441 20 10 DGCDRN Oc1cccc(-c2nc(-c3ccc4ncccc4c3)no2)c1O ZINC000391252466 1108698508 /nfs/dbraw/zinc/69/85/08/1108698508.db2.gz ZXZNTQBQYUHNCF-UHFFFAOYSA-N 0 0 305.293 3.363 20 10 DGCDRN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1nn(C)cc1Cl ZINC000393288392 1108995349 /nfs/dbraw/zinc/99/53/49/1108995349.db2.gz KFFLZXSYLAEBDO-PWSUYJOCSA-N 0 0 305.809 3.426 20 10 DGCDRN CN(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1CCCc2ccccc21 ZINC001290595313 1110251036 /nfs/dbraw/zinc/25/10/36/1110251036.db2.gz WUINLJIBGZVYIP-MRXNPFEDSA-N 0 0 311.381 3.176 20 10 DGCDRN O=C(N[C@H]1COc2ccccc2C1)c1ccccc1-n1cccc1 ZINC001290947190 1110264168 /nfs/dbraw/zinc/26/41/68/1110264168.db2.gz WLXCOYXDXJFXDM-MRXNPFEDSA-N 0 0 318.376 3.211 20 10 DGCDRN C[C@H]1C[C@@H]1n1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1O ZINC001291038519 1110265734 /nfs/dbraw/zinc/26/57/34/1110265734.db2.gz PWUWKFFXARUOOX-WFASDCNBSA-N 0 0 323.400 3.196 20 10 DGCDRN C[C@H](C1CC1)N(C(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001302472663 1111116049 /nfs/dbraw/zinc/11/60/49/1111116049.db2.gz CRAOSHWNPQTSPR-CYBMUJFWSA-N 0 0 311.381 3.472 20 10 DGCDRN COc1ccc(F)c(OC)c1C(=O)N[C@H](C)c1ccccc1O ZINC001302532389 1111117380 /nfs/dbraw/zinc/11/73/80/1111117380.db2.gz ALKQDIWGUHMPNV-SNVBAGLBSA-N 0 0 319.332 3.040 20 10 DGCDRN C[C@H](NC(=O)c1cccc(-n2cccn2)c1)c1ccccc1O ZINC001302538496 1111117991 /nfs/dbraw/zinc/11/79/91/1111117991.db2.gz SLKVKARYJUORSO-ZDUSSCGKSA-N 0 0 307.353 3.069 20 10 DGCDRN C[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@H]1c1ccccc1 ZINC001303504816 1111145247 /nfs/dbraw/zinc/14/52/47/1111145247.db2.gz HRVNDVHHHBNPDW-BFUOFWGJSA-N 0 0 311.381 3.250 20 10 DGCDRN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CC[C@H](F)C1 ZINC001304794497 1111182860 /nfs/dbraw/zinc/18/28/60/1111182860.db2.gz LCPJNBVEAZWVGQ-ZFWWWQNUSA-N 0 0 318.396 3.067 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@H]1CCc2ccccc2O1 ZINC001305085394 1111192996 /nfs/dbraw/zinc/19/29/96/1111192996.db2.gz XNLBHYBOSNSSKU-OAHLLOKOSA-N 0 0 317.772 3.056 20 10 DGCDRN CN(Cc1ccccc1O)c1nc2ccccc2n2cncc12 ZINC001307073203 1111262531 /nfs/dbraw/zinc/26/25/31/1111262531.db2.gz RKTOPHSONYUYDG-UHFFFAOYSA-N 0 0 304.353 3.225 20 10 DGCDRN COc1ccc(CNc2cccc(Br)n2)c(O)c1 ZINC001307105509 1111266325 /nfs/dbraw/zinc/26/63/25/1111266325.db2.gz RIBCUVIVQDMNJQ-UHFFFAOYSA-N 0 0 309.163 3.170 20 10 DGCDRN O=C(CSc1ncc(Cl)s1)NCc1ccc(F)cc1 ZINC001307377386 1111293704 /nfs/dbraw/zinc/29/37/04/1111293704.db2.gz OUXRFJIJFDTRHJ-UHFFFAOYSA-N 0 0 316.810 3.344 20 10 DGCDRN CCN1C[C@@H](CN(CCC(C)C)c2ccc(OC)cc2)OC1=O ZINC001307740496 1111334016 /nfs/dbraw/zinc/33/40/16/1111334016.db2.gz QFUDKHBZJBYICK-KRWDZBQOSA-N 0 0 320.433 3.388 20 10 DGCDRN CCCCOCC[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC001308231736 1111402064 /nfs/dbraw/zinc/40/20/64/1111402064.db2.gz LIHZGGOFUYOLMO-UHFFFAOYSA-N 0 0 316.239 3.369 20 10 DGCDRN COc1cccc(OCCC[NH2+]Cc2cc(F)cc(F)c2[O-])c1 ZINC001308277927 1111409139 /nfs/dbraw/zinc/40/91/39/1111409139.db2.gz RSNDRXWVAGHCQX-UHFFFAOYSA-N 0 0 323.339 3.238 20 10 DGCDRN CN(C)c1cc(F)c(CNc2ccc3c(c2)NC(=O)C3)cc1F ZINC001308518496 1111436846 /nfs/dbraw/zinc/43/68/46/1111436846.db2.gz FFOGAXHFNFJLSY-UHFFFAOYSA-N 0 0 317.339 3.138 20 10 DGCDRN Oc1cc(F)c(F)cc1CN1CCO[C@H](c2ccc(F)cc2)C1 ZINC001308624793 1111452931 /nfs/dbraw/zinc/45/29/31/1111452931.db2.gz BZNXKJMMRXGFOW-KRWDZBQOSA-N 0 0 323.314 3.383 20 10 DGCDRN COc1ccc2c(c1)CCN2Cc1ccc(Br)nc1 ZINC001308635974 1111454553 /nfs/dbraw/zinc/45/45/53/1111454553.db2.gz ZVUATPUGVSICKT-UHFFFAOYSA-N 0 0 319.202 3.415 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(F)c(F)cc1[O-])[C@@H](c1ccccc1)N(C)C ZINC001308706682 1111463737 /nfs/dbraw/zinc/46/37/37/1111463737.db2.gz NANMGASIJKONGF-XIKOKIGWSA-N 0 0 320.383 3.451 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(F)c(F)cc1[O-])[C@H](c1ccccc1)N(C)C ZINC001308706679 1111463860 /nfs/dbraw/zinc/46/38/60/1111463860.db2.gz NANMGASIJKONGF-KPZWWZAWSA-N 0 0 320.383 3.451 20 10 DGCDRN O=C1CC[C@H](c2cccc(NCc3cccc(F)c3O)c2)N1 ZINC001308820171 1111480276 /nfs/dbraw/zinc/48/02/76/1111480276.db2.gz QBYOPKPMGHTNLB-OAHLLOKOSA-N 0 0 300.333 3.095 20 10 DGCDRN COc1nc(C)cc(C)c1CN(C)Cc1cc(F)c(F)cc1O ZINC001308880659 1111488404 /nfs/dbraw/zinc/48/84/04/1111488404.db2.gz NVVHRHVQBOMGAX-UHFFFAOYSA-N 0 0 322.355 3.323 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]C[C@@]1(c2ccccc2)CCCO1 ZINC001308951986 1111498704 /nfs/dbraw/zinc/49/87/04/1111498704.db2.gz XTMZWPBENIDISE-GOSISDBHSA-N 0 0 319.351 3.466 20 10 DGCDRN Cc1cc(CNC(=O)Nc2cccnn2)c(C)n1-c1ccccc1 ZINC001310426504 1111559647 /nfs/dbraw/zinc/55/96/47/1111559647.db2.gz NTCUBDNJOHMMQX-UHFFFAOYSA-N 0 0 321.384 3.206 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2cc3ccccc3nn2)cc1 ZINC001310924921 1111575833 /nfs/dbraw/zinc/57/58/33/1111575833.db2.gz IXSZWVZBMBVSNE-UHFFFAOYSA-N 0 0 321.384 3.018 20 10 DGCDRN COc1ccc(NC(=O)NCc2cc(C)ccc2O)c(F)c1 ZINC001311106245 1111584774 /nfs/dbraw/zinc/58/47/74/1111584774.db2.gz WZVZLCCBSPWHAH-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN CCc1ccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)nc1 ZINC001311153982 1111586746 /nfs/dbraw/zinc/58/67/46/1111586746.db2.gz YUGDIQKCXUIPEW-UHFFFAOYSA-N 0 0 316.380 3.171 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N[C@H]3CCC(C)(C)C3)ccc21 ZINC001311729363 1111616012 /nfs/dbraw/zinc/61/60/12/1111616012.db2.gz QPNJHRQJTKSFAU-INIZCTEOSA-N 0 0 315.461 3.447 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCCC[C@@H]1F ZINC001311944917 1111627872 /nfs/dbraw/zinc/62/78/72/1111627872.db2.gz PKTRMROHYWPBKI-JKSUJKDBSA-N 0 0 307.413 3.141 20 10 DGCDRN CCC1(CC)[C@H](NC(=O)N[C@@H](C)c2ccccc2O)C[C@H]1OC ZINC001312347035 1111648954 /nfs/dbraw/zinc/64/89/54/1111648954.db2.gz CFTHRYDYTIROAV-APHBMKBZSA-N 0 0 320.433 3.346 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC(C)(C)C1CC1 ZINC001312885943 1111679541 /nfs/dbraw/zinc/67/95/41/1111679541.db2.gz RCTHJDRDBLQYRK-CQSZACIVSA-N 0 0 317.477 3.480 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@]1(C)CC1(C)C ZINC001312883733 1111679614 /nfs/dbraw/zinc/67/96/14/1111679614.db2.gz DPRWUTUKOJPVJO-LIRRHRJNSA-N 0 0 317.477 3.480 20 10 DGCDRN Cc1cc(C(=O)NC[C@@H](C)C[C@@H](C)O)c(C)n1-c1ccccc1 ZINC000077052685 185079055 /nfs/dbraw/zinc/07/90/55/185079055.db2.gz QZAFUAREDIVTFO-DZGCQCFKSA-N 0 0 314.429 3.231 20 10 DGCDRN CCOc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1OCC ZINC000001165167 180848828 /nfs/dbraw/zinc/84/88/28/180848828.db2.gz FSEVEMAHKDIDRY-UKTHLTGXSA-N 0 0 323.439 3.315 20 10 DGCDRN CN1C(=O)/C(=C/c2cccc3c2OC(C)(C)C3)SC1=S ZINC000133394839 432062705 /nfs/dbraw/zinc/06/27/05/432062705.db2.gz DJUVNECOKLTRCH-XFFZJAGNSA-N 0 0 305.424 3.231 20 10 DGCDRN COC(=O)c1cc(C[N@H+](C)Cc2cccc(Cl)c2[O-])oc1C ZINC000179634089 432065642 /nfs/dbraw/zinc/06/56/42/432065642.db2.gz XZQWHGCMUPSVDC-UHFFFAOYSA-N 0 0 323.776 3.366 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](C)SC ZINC000134001828 432071871 /nfs/dbraw/zinc/07/18/71/432071871.db2.gz BYCZGTDGIVOMKD-ZDUSSCGKSA-N 0 0 309.479 3.036 20 10 DGCDRN C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000134621694 432081547 /nfs/dbraw/zinc/08/15/47/432081547.db2.gz ZCVNWMSCMKPDMI-YQQAZPJKSA-N 0 0 318.436 3.404 20 10 DGCDRN C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1[O-] ZINC000170789690 432082021 /nfs/dbraw/zinc/08/20/21/432082021.db2.gz GXHBPSDXWDHUSX-LLVKDONJSA-N 0 0 304.321 3.333 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1COc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000290251028 299311216 /nfs/dbraw/zinc/31/12/16/299311216.db2.gz JWVQVIFKPIKEJD-NWDGAFQWSA-N 0 0 314.341 3.127 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])c1nncn1C ZINC000273568658 299345111 /nfs/dbraw/zinc/34/51/11/299345111.db2.gz KDSLJHUWDRDUCR-YUMQZZPRSA-N 0 0 315.204 3.239 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(C2CC2)on1 ZINC000268642929 432114293 /nfs/dbraw/zinc/11/42/93/432114293.db2.gz PLRHEDDSQZGLKE-UHFFFAOYSA-N 0 0 300.358 3.310 20 10 DGCDRN CCC1CN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C1 ZINC000457298447 242714159 /nfs/dbraw/zinc/71/41/59/242714159.db2.gz JBAXRNSQHGPVBM-UHFFFAOYSA-N 0 0 314.429 3.387 20 10 DGCDRN CS[C@@H]1CCN(C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000458746810 243145348 /nfs/dbraw/zinc/14/53/48/243145348.db2.gz QSBHONQWKNLXJN-CYBMUJFWSA-N 0 0 317.458 3.134 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCc1ccccc1O ZINC000471224392 244207341 /nfs/dbraw/zinc/20/73/41/244207341.db2.gz OINWSERLETUKHB-UHFFFAOYSA-N 0 0 322.408 3.441 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)COc1cccc(C)c1 ZINC000471227368 244209009 /nfs/dbraw/zinc/20/90/09/244209009.db2.gz JRAHAVWMQHJUFG-UHFFFAOYSA-N 0 0 322.408 3.490 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)CCCO)c(C)n1-c1ccccc1C ZINC000268690320 432119872 /nfs/dbraw/zinc/11/98/72/432119872.db2.gz RGQJVCFSWDGVAF-CQSZACIVSA-N 0 0 314.429 3.293 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)CCCO)c(C)n1-c1ccccc1C ZINC000268690319 432119964 /nfs/dbraw/zinc/11/99/64/432119964.db2.gz RGQJVCFSWDGVAF-AWEZNQCLSA-N 0 0 314.429 3.293 20 10 DGCDRN COc1ccc(N2CCN(Cc3cnc(Cl)s3)CC2)cc1 ZINC000094194770 193348972 /nfs/dbraw/zinc/34/89/72/193348972.db2.gz WAVXTMMFJBTCSY-UHFFFAOYSA-N 0 0 323.849 3.127 20 10 DGCDRN CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000189410767 284302741 /nfs/dbraw/zinc/30/27/41/284302741.db2.gz LCSPVNVMRFMKGY-DTWKUNHWSA-N 0 0 319.232 3.216 20 10 DGCDRN Cc1c(F)cccc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000421518547 291558951 /nfs/dbraw/zinc/55/89/51/291558951.db2.gz YQBJDWDKTOENJY-UHFFFAOYSA-N 0 0 314.360 3.239 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc(Br)o2)cc1 ZINC000018215112 182099459 /nfs/dbraw/zinc/09/94/59/182099459.db2.gz NPGMKUBMPLGCBP-UHFFFAOYSA-N 0 0 323.190 3.038 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C/c2c(C)nn(C)c2Cl)cc1 ZINC000493743873 246055186 /nfs/dbraw/zinc/05/51/86/246055186.db2.gz DXKNDZHHXPZAJC-MDZDMXLPSA-N 0 0 319.792 3.067 20 10 DGCDRN O=C(C=Cc1cncs1)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000493731651 246053801 /nfs/dbraw/zinc/05/38/01/246053801.db2.gz YTIYFUGLGDZFFR-JPVGGKMYSA-N 0 0 310.378 3.263 20 10 DGCDRN Nc1ccc(CC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000037042561 182863585 /nfs/dbraw/zinc/86/35/85/182863585.db2.gz PXKATQDXNVJWIF-YPMHNXCESA-N 0 0 300.324 3.049 20 10 DGCDRN C[C@H](NCc1nccn1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268953391 432147937 /nfs/dbraw/zinc/14/79/37/432147937.db2.gz YEXFULPHUMXESH-AWEZNQCLSA-N 0 0 316.424 3.400 20 10 DGCDRN COc1cc(NC(=O)NCc2c(C)c3ccccc3n2C)ccn1 ZINC000352516947 532998518 /nfs/dbraw/zinc/99/85/18/532998518.db2.gz AVWLOPKUSBTLMR-UHFFFAOYSA-N 0 0 324.384 3.212 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCO[C@@H](C)C1 ZINC000271584183 129938355 /nfs/dbraw/zinc/93/83/55/129938355.db2.gz RKXHGEVJINUWCG-GJZGRUSLSA-N 0 0 320.433 3.129 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCO[C@H](C)C2)cc1F ZINC000271970067 129985199 /nfs/dbraw/zinc/98/51/99/129985199.db2.gz IDCJXUIFILNOIZ-HIFRSBDPSA-N 0 0 322.424 3.103 20 10 DGCDRN Cc1ccccc1[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000272368209 130024539 /nfs/dbraw/zinc/02/45/39/130024539.db2.gz DCMYQTDYHJOMPS-MNDMWVCDSA-N 0 0 323.392 3.436 20 10 DGCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000272511150 130036416 /nfs/dbraw/zinc/03/64/16/130036416.db2.gz XADLUBGVOWFLJF-ZDUSSCGKSA-N 0 0 317.364 3.171 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000273482397 130126649 /nfs/dbraw/zinc/12/66/49/130126649.db2.gz MFKGBYUPMIJIIT-RVSPLBMKSA-N 0 0 321.417 3.033 20 10 DGCDRN COc1cc(C)cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273502019 130129759 /nfs/dbraw/zinc/12/97/59/130129759.db2.gz QGNFCWKFVCEKRI-LBPRGKRZSA-N 0 0 316.357 3.468 20 10 DGCDRN CCOc1cccc(CN[C@H](C)c2nnc([C@@H](C)CC)[nH]2)c1O ZINC000277172835 130587932 /nfs/dbraw/zinc/58/79/32/130587932.db2.gz HXDAKGSNNFGYMG-NWDGAFQWSA-N 0 0 318.421 3.273 20 10 DGCDRN CC[C@](C)(C[NH2+]Cc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000277998121 130654905 /nfs/dbraw/zinc/65/49/05/130654905.db2.gz NYLBVDWSEZISOF-GOSISDBHSA-N 0 0 304.434 3.267 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCSC1 ZINC000279345514 130743926 /nfs/dbraw/zinc/74/39/26/130743926.db2.gz RNDGLQCHFPWVCF-OAHLLOKOSA-N 0 0 321.490 3.037 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H]2CCCC(F)(F)C2)c1 ZINC000282076342 130899290 /nfs/dbraw/zinc/89/92/90/130899290.db2.gz QXHZESUOEMOUSN-SNVBAGLBSA-N 0 0 300.305 3.216 20 10 DGCDRN C[C@@H]1C[C@H](C)[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)O1 ZINC000282529367 130927341 /nfs/dbraw/zinc/92/73/41/130927341.db2.gz LQVUPFSGAYFWQC-IYOUNJFTSA-N 0 0 316.445 3.057 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)SC ZINC000282690321 130935602 /nfs/dbraw/zinc/93/56/02/130935602.db2.gz ANTKKURTCQWZQU-CYBMUJFWSA-N 0 0 310.463 3.455 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)[C@@H]1CCOC1 ZINC000283549342 131002657 /nfs/dbraw/zinc/00/26/57/131002657.db2.gz DTSJVWSMZZDFMZ-GDBMZVCRSA-N 0 0 320.433 3.129 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCCOCC1 ZINC000283701438 131014568 /nfs/dbraw/zinc/01/45/68/131014568.db2.gz SFHBADLLJNUNOE-INIZCTEOSA-N 0 0 320.433 3.273 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCCCSC ZINC000283716622 131016143 /nfs/dbraw/zinc/01/61/43/131016143.db2.gz UPAOVWXFRORLGK-UHFFFAOYSA-N 0 0 310.463 3.457 20 10 DGCDRN CCN(CC)c1ccc(CNC(C)(C)c2nc(C)no2)cc1 ZINC000284187213 131057860 /nfs/dbraw/zinc/05/78/60/131057860.db2.gz YBMDWNWEHNBCAM-UHFFFAOYSA-N 0 0 302.422 3.249 20 10 DGCDRN CC[C@H]([NH2+]CCCOC[C@H]1CCCO1)c1ccc(F)cc1[O-] ZINC000285771067 131200715 /nfs/dbraw/zinc/20/07/15/131200715.db2.gz SUVXNPRPWZUFAM-ZBFHGGJFSA-N 0 0 311.397 3.158 20 10 DGCDRN CC[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccc(F)cc1[O-] ZINC000285791343 131202238 /nfs/dbraw/zinc/20/22/38/131202238.db2.gz USHYUERWQUBCDO-CABCVRRESA-N 0 0 303.381 3.383 20 10 DGCDRN CC[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccc(F)cc1[O-] ZINC000286036774 131217150 /nfs/dbraw/zinc/21/71/50/131217150.db2.gz KKGMESWMYUJTTE-AEFFLSMTSA-N 0 0 303.377 3.480 20 10 DGCDRN Nc1ccc(NCc2ccc(N3CCCC3)cc2)c([N+](=O)[O-])c1 ZINC000286045934 131217386 /nfs/dbraw/zinc/21/73/86/131217386.db2.gz HLHCBTJALJAGMX-UHFFFAOYSA-N 0 0 312.373 3.389 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2c2cc[nH]n2)c1O ZINC000286123943 131220413 /nfs/dbraw/zinc/22/04/13/131220413.db2.gz MGXBVVUDILYEPX-OAHLLOKOSA-N 0 0 319.792 3.308 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1cccc(Cl)c1[O-] ZINC000287117193 131264320 /nfs/dbraw/zinc/26/43/20/131264320.db2.gz QWHJSYSELLZPCS-FZMZJTMJSA-N 0 0 310.825 3.097 20 10 DGCDRN CC[C@H]([NH2+]Cc1cnnn1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000287168078 131267502 /nfs/dbraw/zinc/26/75/02/131267502.db2.gz CAWIJLGNPBSBNG-LBPRGKRZSA-N 0 0 315.204 3.068 20 10 DGCDRN COc1ccc(N(Cc2cnn(C)n2)Cc2cccs2)cc1 ZINC000289418890 131384324 /nfs/dbraw/zinc/38/43/24/131384324.db2.gz VZQBGULBXZHRLG-UHFFFAOYSA-N 0 0 314.414 3.092 20 10 DGCDRN CCOCc1nc([C@H](C)N[C@@H](C)c2ccc(C)c(C)c2O)no1 ZINC000289589508 131399049 /nfs/dbraw/zinc/39/90/49/131399049.db2.gz AVHMGVBWGAPIRO-STQMWFEESA-N 0 0 319.405 3.340 20 10 DGCDRN CN(C)c1ccc(CN(Cc2ccn(C)n2)Cc2ccco2)cc1 ZINC000289949220 131437314 /nfs/dbraw/zinc/43/73/14/131437314.db2.gz XTZWDGSWFZTRKJ-UHFFFAOYSA-N 0 0 324.428 3.282 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC1(Cl)Cl ZINC000291071162 131540918 /nfs/dbraw/zinc/54/09/18/131540918.db2.gz XEXGMYPBLCQDJY-ZDUSSCGKSA-N 0 0 315.244 3.295 20 10 DGCDRN CC[C@@H](C)CONC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000291663939 131590008 /nfs/dbraw/zinc/59/00/08/131590008.db2.gz PEQPQMIMJNFYRU-CQSZACIVSA-N 0 0 305.422 3.064 20 10 DGCDRN Cc1nc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(C)o1 ZINC000292914359 131689488 /nfs/dbraw/zinc/68/94/88/131689488.db2.gz GJHFULSKNGEUIS-UHFFFAOYSA-N 0 0 313.401 3.162 20 10 DGCDRN CCC(CC)n1nc(C(=O)NCc2ccc(N)cc2)cc1C ZINC000297289427 132007775 /nfs/dbraw/zinc/00/77/75/132007775.db2.gz USBJMJGUQBYFQI-UHFFFAOYSA-N 0 0 300.406 3.065 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cncs1 ZINC000298400685 132060569 /nfs/dbraw/zinc/06/05/69/132060569.db2.gz VTJKRKHIIZRSID-UHFFFAOYSA-N 0 0 303.431 3.260 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)NCC2CCC2)C2CC2)cc1 ZINC000298861694 132080421 /nfs/dbraw/zinc/08/04/21/132080421.db2.gz DBXWXMWMZJXYJC-UHFFFAOYSA-N 0 0 301.434 3.227 20 10 DGCDRN CCCCO[C@@H](C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000299256008 132095537 /nfs/dbraw/zinc/09/55/37/132095537.db2.gz GYBDHKAUXAVPHV-HNNXBMFYSA-N 0 0 304.434 3.108 20 10 DGCDRN Cc1nc(C2(NCc3ccc(N(C)C)cc3)CCCCC2)no1 ZINC000299576927 132111915 /nfs/dbraw/zinc/11/19/15/132111915.db2.gz HTXYKMOTUGJKCD-UHFFFAOYSA-N 0 0 314.433 3.393 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1cccc(OC)c1 ZINC000299682312 132115749 /nfs/dbraw/zinc/11/57/49/132115749.db2.gz TXPSCEFZZNHAOJ-UHFFFAOYSA-N 0 0 313.397 3.382 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CC[C@@H]2CCCO2)cc1F ZINC000066841570 400124598 /nfs/dbraw/zinc/12/45/98/400124598.db2.gz RSGXQZPSKVQPQG-HNNXBMFYSA-N 0 0 322.424 3.247 20 10 DGCDRN O=C(c1c[nH]nc1-c1cccnc1)N1CCc2cc(Cl)ccc21 ZINC000553298599 400316312 /nfs/dbraw/zinc/31/63/12/400316312.db2.gz CFCFBNMFYPHVMH-UHFFFAOYSA-N 0 0 324.771 3.328 20 10 DGCDRN O=[N+]([O-])c1ccccc1/C=C/CN1C[C@@H](CO)Cc2ccccc21 ZINC000590049638 400350828 /nfs/dbraw/zinc/35/08/28/400350828.db2.gz XLWWQYUPNNQILR-PXTSUWAFSA-N 0 0 324.380 3.279 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2CCOc3ccccc32)cc1 ZINC000076841546 400675868 /nfs/dbraw/zinc/67/58/68/400675868.db2.gz PQQRAOUCVAMFKI-SFHVURJKSA-N 0 0 324.424 3.277 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cccc(F)c1 ZINC000052851300 400750053 /nfs/dbraw/zinc/75/00/53/400750053.db2.gz FYCMAZNCESHPII-UHFFFAOYSA-N 0 0 314.404 3.483 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NC[C@H]2CC=CCC2)cc1 ZINC000060128015 401101446 /nfs/dbraw/zinc/10/14/46/401101446.db2.gz OVZYLKVQDLRCMQ-HNNXBMFYSA-N 0 0 301.434 3.250 20 10 DGCDRN COc1ccc(N2CCN(C(=O)C3(C)CCCC3)CC2)cc1F ZINC000084815600 401161368 /nfs/dbraw/zinc/16/13/68/401161368.db2.gz WNYLZYSUOPKUMQ-UHFFFAOYSA-N 0 0 320.408 3.063 20 10 DGCDRN CC[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1cccc(Cl)c1[O-] ZINC000287115056 286904904 /nfs/dbraw/zinc/90/49/04/286904904.db2.gz QSJPOMXCEFOFID-XCLFUZPHSA-N 0 0 315.866 3.388 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])[C@@H](O)c1ccccc1 ZINC000290157007 287051145 /nfs/dbraw/zinc/05/11/45/287051145.db2.gz DARSAOLTIPTFHH-LYOVBCGYSA-N 0 0 307.340 3.443 20 10 DGCDRN [O-]c1c(Br)cccc1C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000383976620 685169084 /nfs/dbraw/zinc/16/90/84/685169084.db2.gz JLXWWBNRKVTSQQ-SECBINFHSA-N 0 0 306.150 3.432 20 10 DGCDRN CCCOc1ccc([C@H](C)NC(=O)Cc2ccc(N)cc2)cc1 ZINC000269216067 432154676 /nfs/dbraw/zinc/15/46/76/432154676.db2.gz DVRQDMPULVCWBA-AWEZNQCLSA-N 0 0 312.413 3.478 20 10 DGCDRN C[C@H](CC(=O)NCCc1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000269205900 432155356 /nfs/dbraw/zinc/15/53/56/432155356.db2.gz NDJBNQIUZGOSJI-GFCCVEGCSA-N 0 0 317.360 3.089 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCn1cccc1 ZINC000269450913 432175360 /nfs/dbraw/zinc/17/53/60/432175360.db2.gz CPFQQXVCYXHSMH-UHFFFAOYSA-N 0 0 313.445 3.383 20 10 DGCDRN CN(C(=O)NCc1ccc2c(c1)CCCN2C)C1CCCC1 ZINC000172022562 432191803 /nfs/dbraw/zinc/19/18/03/432191803.db2.gz ZIEGIQVMPLVEMR-UHFFFAOYSA-N 0 0 301.434 3.153 20 10 DGCDRN Cc1ccc(C(=O)N2CCC[C@@H]2c2cccs2)c(O)c1O ZINC000177665795 228333833 /nfs/dbraw/zinc/33/38/33/228333833.db2.gz HZSKOESZUPLFDM-GFCCVEGCSA-N 0 0 303.383 3.445 20 10 DGCDRN Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2cccc(O)c2O)C1 ZINC000185697327 228395884 /nfs/dbraw/zinc/39/58/84/228395884.db2.gz NEWDXYJUZQZZTK-KGLIPLIRSA-N 0 0 311.381 3.424 20 10 DGCDRN C[C@H](NC(=O)c1cccc(O)c1O)c1ncc(-c2ccccc2)o1 ZINC000193084863 228563278 /nfs/dbraw/zinc/56/32/78/228563278.db2.gz OCPVXBXAZPSBSC-NSHDSACASA-N 0 0 324.336 3.244 20 10 DGCDRN COc1ccc(O)c(CNc2ccc(C(=O)NC(C)C)cc2)c1 ZINC000272707082 228690306 /nfs/dbraw/zinc/69/03/06/228690306.db2.gz BXRAJCKSRLRVQI-UHFFFAOYSA-N 0 0 314.385 3.151 20 10 DGCDRN COCCC(C)(C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000348664286 229205416 /nfs/dbraw/zinc/20/54/16/229205416.db2.gz VMGQSXQSPROGJQ-UHFFFAOYSA-N 0 0 302.418 3.166 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cc1ccc(C)nc1 ZINC000348636235 229205429 /nfs/dbraw/zinc/20/54/29/229205429.db2.gz WSOCVNRHCBVTNV-UHFFFAOYSA-N 0 0 307.397 3.049 20 10 DGCDRN CO[C@@H]1CCC[C@H](C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000352078692 229242342 /nfs/dbraw/zinc/24/23/42/229242342.db2.gz ALWODGLLDGIXFY-LSDHHAIUSA-N 0 0 314.429 3.308 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCc1cncs1 ZINC000352079320 229242413 /nfs/dbraw/zinc/24/24/13/229242413.db2.gz IQFYHUXOQCOMCS-UHFFFAOYSA-N 0 0 313.426 3.192 20 10 DGCDRN CC(=O)C(=O)CSc1nccn1-c1ccccc1C(C)C ZINC000289551040 277929604 /nfs/dbraw/zinc/92/96/04/277929604.db2.gz GFHOQXQIMYLADS-UHFFFAOYSA-N 0 0 302.399 3.246 20 10 DGCDRN CCSc1ccc(C(=O)N(C)Cc2ccccc2O)cn1 ZINC000069386366 431184424 /nfs/dbraw/zinc/18/44/24/431184424.db2.gz JZIXAVATKPNQAD-UHFFFAOYSA-N 0 0 302.399 3.171 20 10 DGCDRN COc1cccc(CNC(=O)N[C@H]2CC[C@@H](C)C[C@H]2C)c1O ZINC000074209164 431405332 /nfs/dbraw/zinc/40/53/32/431405332.db2.gz PQQAQMGJMLASFU-BZPMIXESSA-N 0 0 306.406 3.025 20 10 DGCDRN CCN(Cc1ccon1)Cc1cc(Br)ccc1O ZINC000076118526 431528520 /nfs/dbraw/zinc/52/85/20/431528520.db2.gz GOQQRIBTHTXXKC-UHFFFAOYSA-N 0 0 311.179 3.165 20 10 DGCDRN Cc1c2ccccc2n(C)c1CN[C@H](C)c1cc2n(n1)CCC2 ZINC000414152574 280269461 /nfs/dbraw/zinc/26/94/61/280269461.db2.gz QMJXSOTXMICCJH-CQSZACIVSA-N 0 0 308.429 3.480 20 10 DGCDRN COc1ccc(N(C)CC(=O)N[C@H](C)c2cccs2)cc1F ZINC000121723357 431805595 /nfs/dbraw/zinc/80/55/95/431805595.db2.gz LAPIPVYBVCYTIZ-LLVKDONJSA-N 0 0 322.405 3.209 20 10 DGCDRN C[C@@H](CCC(=O)NCCc1ccc(O)c(O)c1)c1ccccc1 ZINC000122106781 431811691 /nfs/dbraw/zinc/81/16/91/431811691.db2.gz NHRJPRIJVZYWJS-AWEZNQCLSA-N 0 0 313.397 3.340 20 10 DGCDRN CN(Cc1nc(-c2ccsc2)no1)c1ccc2c(c1)OCO2 ZINC000121392480 431781141 /nfs/dbraw/zinc/78/11/41/431781141.db2.gz KDKVYOWKIDJVRI-UHFFFAOYSA-N 0 0 315.354 3.163 20 10 DGCDRN C[C@@H](Cn1cccn1)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000037155613 431845117 /nfs/dbraw/zinc/84/51/17/431845117.db2.gz ZGIRQEOVOWMNLG-VIFPVBQESA-N 0 0 300.189 3.074 20 10 DGCDRN Cc1ncc([C@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)c(C)n1 ZINC000122927043 431848624 /nfs/dbraw/zinc/84/86/24/431848624.db2.gz XJNDNTRVSRXGIL-ZDUSSCGKSA-N 0 0 310.445 3.327 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCCCOC1CCCCC1 ZINC000045148369 431882494 /nfs/dbraw/zinc/88/24/94/431882494.db2.gz DUMRRLNKRPUVRR-UHFFFAOYSA-N 0 0 320.433 3.273 20 10 DGCDRN CCOC(=O)COc1ccc(NCc2cccc(C)c2O)cc1 ZINC000183917092 432334722 /nfs/dbraw/zinc/33/47/22/432334722.db2.gz JOCFTDLLNNFANN-UHFFFAOYSA-N 0 0 315.369 3.255 20 10 DGCDRN C[C@@H](CCOc1ccccc1)C(=O)NCCc1ccc(N)cc1 ZINC000152576035 432342366 /nfs/dbraw/zinc/34/23/66/432342366.db2.gz VCUHAOMYTWDHLJ-HNNXBMFYSA-N 0 0 312.413 3.033 20 10 DGCDRN CCc1ccc([C@@H](COC)NCc2ccc3c(c2)CCO3)o1 ZINC000174476071 432350226 /nfs/dbraw/zinc/35/02/26/432350226.db2.gz LFOPVZMZOXRNGW-MRXNPFEDSA-N 0 0 301.386 3.254 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1cc(Cl)nc(C2CC2)n1 ZINC000183598158 432306922 /nfs/dbraw/zinc/30/69/22/432306922.db2.gz YDQVFTLOTXKGEZ-SECBINFHSA-N 0 0 319.792 3.462 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000253352174 432391281 /nfs/dbraw/zinc/39/12/81/432391281.db2.gz NIWMHTPQCKCTHB-DFKRKDTASA-N 0 0 311.784 3.232 20 10 DGCDRN C[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C[C@@H]1n1ccnc1 ZINC000271228102 432357878 /nfs/dbraw/zinc/35/78/78/432357878.db2.gz BFMFKLMMCFFXLN-WFASDCNBSA-N 0 0 305.809 3.325 20 10 DGCDRN CS[C@@H](C)CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000152875649 432363585 /nfs/dbraw/zinc/36/35/85/432363585.db2.gz XDMOSKQDGQTBDF-ZFWWWQNUSA-N 0 0 323.458 3.041 20 10 DGCDRN C[C@@H]1CC[C@H](CCC(=O)NCc2ccc(N3CCCC3)cc2)O1 ZINC000175369267 432429479 /nfs/dbraw/zinc/42/94/79/432429479.db2.gz PNWXEWALNCWDDG-CRAIPNDOSA-N 0 0 316.445 3.251 20 10 DGCDRN C[C@@H]([NH2+]C[C@]1(O)CCSC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192927436 432430695 /nfs/dbraw/zinc/43/06/95/432430695.db2.gz MNBXYAFRWKAIPN-AMIZOPFISA-N 0 0 322.257 3.218 20 10 DGCDRN CCCNc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000193155823 432454316 /nfs/dbraw/zinc/45/43/16/432454316.db2.gz GWZBLPYBZMCLLX-UHFFFAOYSA-N 0 0 315.373 3.412 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C\c2cncc(C)c2)cc1F ZINC000255377334 432409490 /nfs/dbraw/zinc/40/94/90/432409490.db2.gz MTMKCZKSHLPMPO-DAXSKMNVSA-N 0 0 300.333 3.214 20 10 DGCDRN CN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC000255329947 432410001 /nfs/dbraw/zinc/41/00/01/432410001.db2.gz HSNRRNREOPQKQL-TWGQIWQCSA-N 0 0 317.732 3.319 20 10 DGCDRN Cc1cncc(/C=C\C(=O)N(C[C@@H]2CCCO2)c2ccncc2)c1 ZINC000255918220 432413523 /nfs/dbraw/zinc/41/35/23/432413523.db2.gz UZRZEIUSPJHLIF-XDXAGZTOSA-N 0 0 323.396 3.010 20 10 DGCDRN CCOc1cccc(CNc2cccc(-c3ncn(C)n3)c2)c1O ZINC000153490889 432414119 /nfs/dbraw/zinc/41/41/19/432414119.db2.gz OAIOKISIPVDXGO-UHFFFAOYSA-N 0 0 324.384 3.199 20 10 DGCDRN COCC[C@@](C)(O)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192871834 432424485 /nfs/dbraw/zinc/42/44/85/432424485.db2.gz IPGWHEZEPPLAFU-YMTOWFKASA-N 0 0 322.232 3.137 20 10 DGCDRN CCOc1ccc(N[C@@H](C)c2cc(OC)ccc2O)cc1CO ZINC000193535022 432479544 /nfs/dbraw/zinc/47/95/44/432479544.db2.gz STHSUCVQKNVPEP-LBPRGKRZSA-N 0 0 317.385 3.465 20 10 DGCDRN C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)Cc1ccc(N)cc1 ZINC000262626941 432495198 /nfs/dbraw/zinc/49/51/98/432495198.db2.gz LKHKAXYQBQOUTG-QAPCUYQASA-N 0 0 308.425 3.291 20 10 DGCDRN COc1cccc(CNC(=O)NC2[C@H](C)CCC[C@@H]2C)c1O ZINC000175819204 432468221 /nfs/dbraw/zinc/46/82/21/432468221.db2.gz AMELHMVQRKZJDB-ODOQXGPZSA-N 0 0 306.406 3.025 20 10 DGCDRN C[C@H]([NH2+]Cc1cnn(C)c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185113403 432468767 /nfs/dbraw/zinc/46/87/67/432468767.db2.gz GNFJHRQRSHPDTJ-QMMMGPOBSA-N 0 0 300.189 3.283 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(F)cc1[O-] ZINC000186136277 432562337 /nfs/dbraw/zinc/56/23/37/432562337.db2.gz WUJKBQBVWXWIRB-AXAPSJFSSA-N 0 0 311.422 3.237 20 10 DGCDRN COc1ccc([C@H](CCO)[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000185825939 432536950 /nfs/dbraw/zinc/53/69/50/432536950.db2.gz UEUOLYVCIRWIAQ-SJCJKPOMSA-N 0 0 319.376 3.314 20 10 DGCDRN Cc1cc(O)c(CNc2nnc(C(F)(F)F)s2)cc1C ZINC000185872054 432542112 /nfs/dbraw/zinc/54/21/12/432542112.db2.gz VNPDNKNDPBKUES-UHFFFAOYSA-N 0 0 303.309 3.491 20 10 DGCDRN C[C@@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1ccc(F)cc1[O-] ZINC000186165614 432565513 /nfs/dbraw/zinc/56/55/13/432565513.db2.gz RWGBWUAYAHZEGV-XIKOKIGWSA-N 0 0 301.361 3.016 20 10 DGCDRN Cc1cc(C(=O)N(C)C[C@@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000177226569 432600267 /nfs/dbraw/zinc/60/02/67/432600267.db2.gz ZGHWQERGSLOSII-INIZCTEOSA-N 0 0 312.413 3.203 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@@H](O)c1cccc(F)c1 ZINC000273463338 432601686 /nfs/dbraw/zinc/60/16/86/432601686.db2.gz INHXTKDGCVANLE-WVQJBOLRSA-N 0 0 307.340 3.443 20 10 DGCDRN Cc1ncsc1/C=C/C(=O)N1CCOc2cc(F)ccc21 ZINC000186524391 432604068 /nfs/dbraw/zinc/60/40/68/432604068.db2.gz NPISTVSKKAVDFO-SNAWJCMRSA-N 0 0 304.346 3.029 20 10 DGCDRN CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc(O)c2O)s1 ZINC000187122922 432646220 /nfs/dbraw/zinc/64/62/20/432646220.db2.gz JOESJNWBEBGEKE-SNVBAGLBSA-N 0 0 320.414 3.258 20 10 DGCDRN CCc1cnc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000273624090 432618774 /nfs/dbraw/zinc/61/87/74/432618774.db2.gz ZUZYXTSYMZQSAL-SECBINFHSA-N 0 0 307.375 3.170 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCCCC[C@@H]1c1ccco1 ZINC000187156106 432650026 /nfs/dbraw/zinc/65/00/26/432650026.db2.gz FDPSPRNHHUOJSM-CYBMUJFWSA-N 0 0 301.342 3.448 20 10 DGCDRN CN(Cc1ccccc1)C(=O)COc1ccc(N2CCCC2)cc1 ZINC000178191921 432705861 /nfs/dbraw/zinc/70/58/61/432705861.db2.gz RJNXTLCPTKNOKS-UHFFFAOYSA-N 0 0 324.424 3.324 20 10 DGCDRN C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000227690959 432714048 /nfs/dbraw/zinc/71/40/48/432714048.db2.gz BTOWXXYJBVEDLM-SNVBAGLBSA-N 0 0 314.813 3.048 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc(F)c(F)c1[O-] ZINC000187668303 432675924 /nfs/dbraw/zinc/67/59/24/432675924.db2.gz SLWAMUIRHJUYQT-LKFCYVNXSA-N 0 0 311.303 3.194 20 10 DGCDRN CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187754945 432682681 /nfs/dbraw/zinc/68/26/81/432682681.db2.gz DDANUTCSZLZXBW-BXKDBHETSA-N 0 0 322.359 3.010 20 10 DGCDRN CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187805603 432687054 /nfs/dbraw/zinc/68/70/54/432687054.db2.gz RYFVRBFAIPIMIO-MEBBXXQBSA-N 0 0 301.377 3.364 20 10 DGCDRN Cc1cccc([C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C(=O)[O-])c1C ZINC000277207968 432829778 /nfs/dbraw/zinc/82/97/78/432829778.db2.gz HBPIZMGMBNTNHK-GOSISDBHSA-N 0 0 312.413 3.285 20 10 DGCDRN COc1cccc([C@H]2CCCN2C(=O)Cc2ccc(N)cc2)c1 ZINC000237326536 432783112 /nfs/dbraw/zinc/78/31/12/432783112.db2.gz COUAKROLGFYMGB-GOSISDBHSA-N 0 0 310.397 3.184 20 10 DGCDRN CC[C@H](C)CC(=O)NCc1cccc(Br)c1O ZINC000277651623 432866991 /nfs/dbraw/zinc/86/69/91/432866991.db2.gz ZAEJCFRMMWSUAZ-VIFPVBQESA-N 0 0 300.196 3.207 20 10 DGCDRN CCC(CC)C(=O)NCc1cccc(Br)c1O ZINC000277550835 432859570 /nfs/dbraw/zinc/85/95/70/432859570.db2.gz OGUFSGSDBFWYHV-UHFFFAOYSA-N 0 0 300.196 3.207 20 10 DGCDRN CC[C@@H]([NH2+][C@H](C(=O)N(C)CC)C(C)C)c1ccc(F)cc1[O-] ZINC000296586234 432923312 /nfs/dbraw/zinc/92/33/12/432923312.db2.gz URZKKSBDSNNAIR-ZBFHGGJFSA-N 0 0 310.413 3.075 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@H](C)c2ccccc2C)ccc1[N+](=O)[O-] ZINC000278619730 432898407 /nfs/dbraw/zinc/89/84/07/432898407.db2.gz FRMROCJMXSFFPJ-GFCCVEGCSA-N 0 0 316.357 3.468 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000278932834 432918733 /nfs/dbraw/zinc/91/87/33/432918733.db2.gz WPIYBRUGVSCDGG-CQSZACIVSA-N 0 0 314.341 3.086 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)CCCCCO)cc1 ZINC000279477795 432973351 /nfs/dbraw/zinc/97/33/51/432973351.db2.gz HEELUNRRXYVFLQ-UHFFFAOYSA-N 0 0 314.429 3.329 20 10 DGCDRN CC[C@@H]([NH2+]Cc1csc(COC)n1)c1ccc(F)cc1[O-] ZINC000289901892 432979111 /nfs/dbraw/zinc/97/91/11/432979111.db2.gz TYIVYGYMKLJCCO-CYBMUJFWSA-N 0 0 310.394 3.375 20 10 DGCDRN C[C@@]1(O)CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000279643044 432989350 /nfs/dbraw/zinc/98/93/50/432989350.db2.gz JMPHQVVWWQVAFK-CQSZACIVSA-N 0 0 304.217 3.436 20 10 DGCDRN CO[C@H]1CCC[C@H](CC(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000279669107 432991172 /nfs/dbraw/zinc/99/11/72/432991172.db2.gz HLOPVKRXWMBZEU-ZFWWWQNUSA-N 0 0 322.424 3.103 20 10 DGCDRN CCc1nnc(CN[C@H](C)c2ccc(N(C)CC)cc2)s1 ZINC000290171006 433005887 /nfs/dbraw/zinc/00/58/87/433005887.db2.gz MRLHAUJXVDQBSL-GFCCVEGCSA-N 0 0 304.463 3.407 20 10 DGCDRN CC/C=C/CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000298070481 433045892 /nfs/dbraw/zinc/04/58/92/433045892.db2.gz KJEBCITULCSJMI-GIZXNFQBSA-N 0 0 318.417 3.049 20 10 DGCDRN COc1cc(Cl)cc(C[N@H+](C)C2CCC(CO)CC2)c1O ZINC000290368575 433040173 /nfs/dbraw/zinc/04/01/73/433040173.db2.gz HICXMAREXLJUNA-UHFFFAOYSA-N 0 0 313.825 3.037 20 10 DGCDRN COc1ccc(CNC(=O)[C@H]2CCCc3sccc32)c(O)c1 ZINC000373697337 433160127 /nfs/dbraw/zinc/16/01/27/433160127.db2.gz QOYBUDONZCQJIK-AWEZNQCLSA-N 0 0 317.410 3.199 20 10 DGCDRN COc1ccc(CNC(=O)[C@@H]2CCCc3sccc32)c(O)c1 ZINC000373697339 433162068 /nfs/dbraw/zinc/16/20/68/433162068.db2.gz QOYBUDONZCQJIK-CQSZACIVSA-N 0 0 317.410 3.199 20 10 DGCDRN CN(C)c1ccc(CN2CCO[C@@H](c3ccco3)C2)cc1F ZINC000374266979 433182325 /nfs/dbraw/zinc/18/23/25/433182325.db2.gz BPEAXSOGWHSOLH-QGZVFWFLSA-N 0 0 304.365 3.058 20 10 DGCDRN CC[C@@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)OC ZINC000290968359 433213136 /nfs/dbraw/zinc/21/31/36/433213136.db2.gz BKZRIZFPVMSPLI-KRWDZBQOSA-N 0 0 321.465 3.098 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000291692041 433317261 /nfs/dbraw/zinc/31/72/61/433317261.db2.gz YFFMVJNLVLWSHH-CRAIPNDOSA-N 0 0 317.816 3.301 20 10 DGCDRN CC(C)c1scnc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000291799968 433358718 /nfs/dbraw/zinc/35/87/18/433358718.db2.gz ZEDJFTDGKXJKFH-JTQLQIEISA-N 0 0 320.414 3.039 20 10 DGCDRN Cc1nn(C(C)C)cc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000281784951 433377879 /nfs/dbraw/zinc/37/78/79/433377879.db2.gz XLAYDGFJASIAMG-UHFFFAOYSA-N 0 0 300.450 3.470 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1cncc(F)c1 ZINC000281989585 433457966 /nfs/dbraw/zinc/45/79/66/433457966.db2.gz PKCXQHIATPQFKY-UHFFFAOYSA-N 0 0 315.348 3.127 20 10 DGCDRN Cc1onc(-c2cccnc2)c1C(=O)N(C)c1ccc(F)cc1 ZINC000375611418 433508616 /nfs/dbraw/zinc/50/86/16/433508616.db2.gz KOBHNNJWOCMKJE-UHFFFAOYSA-N 0 0 311.316 3.461 20 10 DGCDRN CCN(CC)c1ccc(CNCc2cnccc2OC)cc1F ZINC000292526388 433580791 /nfs/dbraw/zinc/58/07/91/433580791.db2.gz FHILIGDRINUBAT-UHFFFAOYSA-N 0 0 317.408 3.365 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1cnns1 ZINC000282951070 433643795 /nfs/dbraw/zinc/64/37/95/433643795.db2.gz XUUQHNIRPSKBDF-UHFFFAOYSA-N 0 0 306.391 3.078 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1oc(C)nc1C ZINC000282478830 433614408 /nfs/dbraw/zinc/61/44/08/433614408.db2.gz LLSHDOOXBYFYCK-UHFFFAOYSA-N 0 0 302.374 3.440 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCCCSCC ZINC000282550222 433615055 /nfs/dbraw/zinc/61/50/55/433615055.db2.gz TWYRLIPIKGDPJR-UHFFFAOYSA-N 0 0 310.463 3.457 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccncc1F ZINC000282580018 433619904 /nfs/dbraw/zinc/61/99/04/433619904.db2.gz VVVOXHIAJUPWNF-UHFFFAOYSA-N 0 0 302.349 3.369 20 10 DGCDRN CCCN(Cc1ncnn1C(C)(C)C)Cc1ccccc1O ZINC000283216703 433692551 /nfs/dbraw/zinc/69/25/51/433692551.db2.gz SKVUPPYFAZLWGU-UHFFFAOYSA-N 0 0 302.422 3.151 20 10 DGCDRN CCCN(Cc1ccccc1O)c1ncc(Br)cn1 ZINC000301748526 433706555 /nfs/dbraw/zinc/70/65/55/433706555.db2.gz HGPQFHWUPSHPEQ-UHFFFAOYSA-N 0 0 322.206 3.361 20 10 DGCDRN Cc1noc([C@@H]2CCCCN2Cc2ccc(N(C)C)c(C)c2)n1 ZINC000293551206 433777399 /nfs/dbraw/zinc/77/73/99/433777399.db2.gz LDPRHDGGZZGOQV-KRWDZBQOSA-N 0 0 314.433 3.480 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@H](C2CC2)C1 ZINC000362688024 433824385 /nfs/dbraw/zinc/82/43/85/433824385.db2.gz KQVUWRUWWYYFGP-QGZVFWFLSA-N 0 0 313.445 3.228 20 10 DGCDRN COCC1(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCC1 ZINC000293575870 433787838 /nfs/dbraw/zinc/78/78/38/433787838.db2.gz HHQXRRZFWSLUQD-UHFFFAOYSA-N 0 0 301.789 3.481 20 10 DGCDRN FC(F)(F)c1ccc(NCc2ccc(N3CC=CC3)cc2)nn1 ZINC000301956634 433806243 /nfs/dbraw/zinc/80/62/43/433806243.db2.gz FREHCBJKYHANKG-UHFFFAOYSA-N 0 0 320.318 3.484 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cc(Br)cc(C)c1O)C(C)(C)O ZINC000293659188 433818424 /nfs/dbraw/zinc/81/84/24/433818424.db2.gz NQSDMBHBDNKESB-GFCCVEGCSA-N 0 0 316.239 3.102 20 10 DGCDRN COc1cc(Cl)cc(CN2C[C@H](CO)c3ccccc32)c1O ZINC000293941537 433933191 /nfs/dbraw/zinc/93/31/91/433933191.db2.gz OIRIOLODTMRPHO-GFCCVEGCSA-N 0 0 319.788 3.150 20 10 DGCDRN CC(C)(CO)[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC000294039502 433973084 /nfs/dbraw/zinc/97/30/84/433973084.db2.gz WEZGXBYELONMEP-AWEZNQCLSA-N 0 0 301.789 3.071 20 10 DGCDRN CCCOc1ccc(C[N@@H+]2CC[C@@H](O)C23CCCC3)c(O)c1 ZINC000294067265 433984843 /nfs/dbraw/zinc/98/48/43/433984843.db2.gz YHFXYVRNFBESAI-QGZVFWFLSA-N 0 0 305.418 3.060 20 10 DGCDRN Nc1ccc(CC(=O)N[C@H](c2ccccc2)C2CCOCC2)cc1 ZINC000378214198 434114151 /nfs/dbraw/zinc/11/41/51/434114151.db2.gz BODGAEJZTWKQEW-HXUWFJFHSA-N 0 0 324.424 3.095 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CC1(F)F ZINC000294577517 434118758 /nfs/dbraw/zinc/11/87/58/434118758.db2.gz XTMCMLMWRRESOY-HNNXBMFYSA-N 0 0 308.372 3.291 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)[C@@H]3CC3(F)F)cc2)CC1 ZINC000294579250 434120128 /nfs/dbraw/zinc/12/01/28/434120128.db2.gz KPYQRSWVQVFYDD-HNNXBMFYSA-N 0 0 308.372 3.194 20 10 DGCDRN CC(=O)N(C)c1ccc(NCc2c(C)c3ccccc3n2C)cn1 ZINC000416430005 434124541 /nfs/dbraw/zinc/12/45/41/434124541.db2.gz YUOVDGWRRYCQIM-UHFFFAOYSA-N 0 0 322.412 3.477 20 10 DGCDRN Cn1cc([C@H]2CSCCN2Cc2cc(Cl)ccc2O)cn1 ZINC000191738016 294302593 /nfs/dbraw/zinc/30/25/93/294302593.db2.gz VHRPJFWXRGEOPB-CQSZACIVSA-N 0 0 323.849 3.069 20 10 DGCDRN CC[C@@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1ccc(F)cc1[O-] ZINC000286375758 434251618 /nfs/dbraw/zinc/25/16/18/434251618.db2.gz ALERGCVTZSYCRY-HUUCEWRRSA-N 0 0 303.381 3.383 20 10 DGCDRN CCC[C@H](CNC(=O)c1cc(C)n(-c2ccccn2)c1C)OC ZINC000295461081 434372402 /nfs/dbraw/zinc/37/24/02/434372402.db2.gz PZYJOAKHQWGXGO-OAHLLOKOSA-N 0 0 315.417 3.034 20 10 DGCDRN CC[C@@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1cccc(Cl)c1[O-] ZINC000287643184 434421026 /nfs/dbraw/zinc/42/10/26/434421026.db2.gz KYHFFAYWNOVYQD-SMDDNHRTSA-N 0 0 320.824 3.001 20 10 DGCDRN Oc1cccc2c1[C@H]([NH2+]Cc1ccccc1Cn1cccn1)CC2 ZINC000296001729 434469647 /nfs/dbraw/zinc/46/96/47/434469647.db2.gz OJPRXVDMDHFNQU-GOSISDBHSA-N 0 0 319.408 3.414 20 10 DGCDRN CC[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cccc(Cl)c1[O-] ZINC000367567671 434550740 /nfs/dbraw/zinc/55/07/40/434550740.db2.gz UZJORKSKAPNKGF-BXUZGUMPSA-N 0 0 305.809 3.367 20 10 DGCDRN COc1ccc(O)c([C@@H](C)N[C@H]2COc3cc(F)cc(F)c32)c1 ZINC000368211263 434568583 /nfs/dbraw/zinc/56/85/83/434568583.db2.gz CUSGEGWBHBEPNB-OTYXRUKQSA-N 0 0 321.323 3.463 20 10 DGCDRN O=C([C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-])N1CCCC1 ZINC000368460628 434575623 /nfs/dbraw/zinc/57/56/23/434575623.db2.gz APLGFLAMFHMQBK-OAHLLOKOSA-N 0 0 322.836 3.023 20 10 DGCDRN COc1ccc2c(c1)C(=O)N(C)[C@@H](c1cc(C)c(C)cc1O)N2 ZINC000078761229 295256309 /nfs/dbraw/zinc/25/63/09/295256309.db2.gz PMZHUTKYDCNXKB-KRWDZBQOSA-N 0 0 312.369 3.214 20 10 DGCDRN O=C(/C=C\c1cncs1)N1CCCc2ccc(F)c(F)c21 ZINC000493184175 295409717 /nfs/dbraw/zinc/40/97/17/295409717.db2.gz DHJVZZNCMGCPDZ-XQRVVYSFSA-N 0 0 306.337 3.414 20 10 DGCDRN COc1cc(O)c(CN2CCC[C@H]2c2cc(C)on2)cc1OC ZINC000372391627 434820441 /nfs/dbraw/zinc/82/04/41/434820441.db2.gz FAHPWEZRTCULIY-AWEZNQCLSA-N 0 0 318.373 3.043 20 10 DGCDRN CCOc1cccc(CN2CCOC[C@H]2c2ccccc2)c1O ZINC000372403827 434821016 /nfs/dbraw/zinc/82/10/16/434821016.db2.gz HKZIRHIURMQKHV-KRWDZBQOSA-N 0 0 313.397 3.364 20 10 DGCDRN Cc1nc([C@@H]2CCCCN2Cc2cc(C)c(C)cc2O)no1 ZINC000372840073 434858413 /nfs/dbraw/zinc/85/84/13/434858413.db2.gz UGRPQSVWBVBOHN-HNNXBMFYSA-N 0 0 301.390 3.428 20 10 DGCDRN CC1(C)CN(C(=O)/C=C\c2cnccn2)c2ccccc2S1 ZINC000492073697 434908973 /nfs/dbraw/zinc/90/89/73/434908973.db2.gz OXGWWZRDISZHEZ-FPLPWBNLSA-N 0 0 311.410 3.407 20 10 DGCDRN Cc1cncc(/C=C\C(=O)N2C[C@H]3CCCN3c3ccccc32)c1 ZINC000492204288 434935327 /nfs/dbraw/zinc/93/53/27/434935327.db2.gz YJBIXYMNHBKZBM-XZVRFQMRSA-N 0 0 319.408 3.419 20 10 DGCDRN Cc1cncc(/C=C\C(=O)N2C[C@@H]3CCCN3c3ccccc32)c1 ZINC000492204286 434935740 /nfs/dbraw/zinc/93/57/40/434935740.db2.gz YJBIXYMNHBKZBM-JJEJIETFSA-N 0 0 319.408 3.419 20 10 DGCDRN Cc1ccc(/C=C/C(=O)N2C[C@@H]3CCCN3c3ccccc32)cn1 ZINC000492430064 434980873 /nfs/dbraw/zinc/98/08/73/434980873.db2.gz SSXBKYYVJFHPNU-DVQDXYAYSA-N 0 0 319.408 3.419 20 10 DGCDRN COc1cncc(/C=C\C(=O)N(C)c2cccc3cccnc32)c1 ZINC000492561680 435012809 /nfs/dbraw/zinc/01/28/09/435012809.db2.gz FPGRENJHSUWASR-HJWRWDBZSA-N 0 0 319.364 3.315 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)/C=C/c1cscn1 ZINC000492683283 435034725 /nfs/dbraw/zinc/03/47/25/435034725.db2.gz VNUWUMYAHXYZNL-BQYQJAHWSA-N 0 0 311.410 3.273 20 10 DGCDRN CCn1ccnc1/C=C\C(=O)NCc1c(C)c2ccccc2n1C ZINC000492735801 435042407 /nfs/dbraw/zinc/04/24/07/435042407.db2.gz MVRWRCXDHLZSRZ-KTKRTIGZSA-N 0 0 322.412 3.033 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C/c2scnc2C)cc1OC ZINC000492748690 435043778 /nfs/dbraw/zinc/04/37/78/435043778.db2.gz YKZFSEWISGIYBE-BQYQJAHWSA-N 0 0 318.398 3.145 20 10 DGCDRN Cc1ncsc1/C=C\C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000492748664 435043862 /nfs/dbraw/zinc/04/38/62/435043862.db2.gz YFBPQIWPBIZKJC-KTKRTIGZSA-N 0 0 315.442 3.060 20 10 DGCDRN CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccc(Cl)nc1 ZINC000493321429 435148947 /nfs/dbraw/zinc/14/89/47/435148947.db2.gz LUSAMWZJGLSXIQ-RMKNXTFCSA-N 0 0 317.732 3.319 20 10 DGCDRN COCCOCCOc1ccc2c(c1)c1c(n2C)CCCC1 ZINC000647164550 435958154 /nfs/dbraw/zinc/95/81/54/435958154.db2.gz ZVWHAMFBYSOZLE-UHFFFAOYSA-N 0 0 303.402 3.099 20 10 DGCDRN Cc1cc(NC(=O)c2cccc(O)c2O)ccc1N1CCCC1 ZINC000192974953 301362035 /nfs/dbraw/zinc/36/20/35/301362035.db2.gz ZYHXXYGUXQXWMU-UHFFFAOYSA-N 0 0 312.369 3.259 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCCO[C@H](C)C1 ZINC000171009790 301564823 /nfs/dbraw/zinc/56/48/23/301564823.db2.gz GCKHZXJNQPCPNJ-CQSZACIVSA-N 0 0 318.442 3.407 20 10 DGCDRN O=C(/C=C/c1ccc(Cl)nc1)N1CCSc2ccncc21 ZINC000090000641 331973426 /nfs/dbraw/zinc/97/34/26/331973426.db2.gz PPJZBJUDVJHHDA-DUXPYHPUSA-N 0 0 317.801 3.282 20 10 DGCDRN Cc1nnc(-c2cccc(NCc3cc(C)ccc3O)c2)n1C ZINC000370850181 332268505 /nfs/dbraw/zinc/26/85/05/332268505.db2.gz OHWONNPJJAHCLO-UHFFFAOYSA-N 0 0 308.385 3.417 20 10 DGCDRN CCc1noc(C)c1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000293676019 335114831 /nfs/dbraw/zinc/11/48/31/335114831.db2.gz JZEVFNNRLDZIDI-VIFPVBQESA-N 0 0 305.334 3.010 20 10 DGCDRN CC(C)(C)OCC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000272167823 334031220 /nfs/dbraw/zinc/03/12/20/334031220.db2.gz PGJBKJVNDKONDY-UHFFFAOYSA-N 0 0 324.384 3.150 20 10 DGCDRN CCC(CC)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000363216532 336820352 /nfs/dbraw/zinc/82/03/52/336820352.db2.gz WMRPGRHXJATEOG-UHFFFAOYSA-N 0 0 304.434 3.170 20 10 DGCDRN Cc1cncc(/C=C/C(=O)N(CC(F)(F)F)c2ccccn2)c1 ZINC000121833018 337901796 /nfs/dbraw/zinc/90/17/96/337901796.db2.gz HCCUEDOXOCPUCH-AATRIKPKSA-N 0 0 321.302 3.394 20 10 DGCDRN C[C@@H]1[C@@H](C(=O)NCc2cc(Br)ccc2O)[C@H]1C1CC1 ZINC000529391528 340753867 /nfs/dbraw/zinc/75/38/67/340753867.db2.gz ZYSWRIWNUASDHS-MCCGJVOXSA-N 0 0 324.218 3.063 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H](C)OCC(C)C ZINC000548100236 341247329 /nfs/dbraw/zinc/24/73/29/341247329.db2.gz DZMICNBCNNZQHE-CQSZACIVSA-N 0 0 302.418 3.164 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)C[C@H]2CCOC2)cc1 ZINC000177309042 533719630 /nfs/dbraw/zinc/71/96/30/533719630.db2.gz IOHFGFZGUQDMTC-MRXNPFEDSA-N 0 0 312.413 3.203 20 10 DGCDRN O=C(CC1(C(F)(F)F)CC1)NCCCSc1nccs1 ZINC001342361957 1179133579 /nfs/dbraw/zinc/13/35/79/1179133579.db2.gz IHVUOJYASGPNSR-UHFFFAOYSA-N 0 0 324.393 3.474 20 10 DGCDRN C[C@@H]1Oc2ccc(NCc3ccc(N(C)C)cc3)cc2NC1=O ZINC000121694551 534213221 /nfs/dbraw/zinc/21/32/21/534213221.db2.gz LQFAOFFVEWCOAM-LBPRGKRZSA-N 0 0 311.385 3.084 20 10 DGCDRN CCCOc1ccc(CN[C@@H](C)C(=O)OC(C)(C)C)c(O)c1 ZINC000158031527 520369340 /nfs/dbraw/zinc/36/93/40/520369340.db2.gz HGOUOFYYMWMVAV-LBPRGKRZSA-N 0 0 309.406 3.001 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)Cc3ccncc3)cc2)CC1 ZINC000181993290 521040636 /nfs/dbraw/zinc/04/06/36/521040636.db2.gz JMDVUNWLMRUMKT-UHFFFAOYSA-N 0 0 323.440 3.177 20 10 DGCDRN CCOc1ccc(O)c(CNc2cccc(-c3ncn(C)n3)c2)c1 ZINC000153547027 521155292 /nfs/dbraw/zinc/15/52/92/521155292.db2.gz LWVMMSUGLXTOIG-UHFFFAOYSA-N 0 0 324.384 3.199 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1COc2ccccc21 ZINC000113157465 521320130 /nfs/dbraw/zinc/32/01/30/521320130.db2.gz UUYVORXXXKFMIQ-SFHVURJKSA-N 0 0 324.424 3.277 20 10 DGCDRN CCOc1cccc(CNCc2csc([C@@H](C)OC)n2)c1O ZINC000267617844 521368277 /nfs/dbraw/zinc/36/82/77/521368277.db2.gz JYFTZXRFOYZXAR-LLVKDONJSA-N 0 0 322.430 3.245 20 10 DGCDRN CCCc1cnc(NC(=O)NCc2cccc(OC)c2O)s1 ZINC000180829610 521451451 /nfs/dbraw/zinc/45/14/51/521451451.db2.gz OXOKGHHHNJGTML-UHFFFAOYSA-N 0 0 321.402 3.132 20 10 DGCDRN CCCc1nc(C(=O)NCc2c(C)c3ccccc3n2C)co1 ZINC000337989609 521478061 /nfs/dbraw/zinc/47/80/61/521478061.db2.gz DAZSOWLSRICSTN-UHFFFAOYSA-N 0 0 311.385 3.357 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(Cl)ccn1 ZINC000264004737 521689702 /nfs/dbraw/zinc/68/97/02/521689702.db2.gz ICINANSGXAVLBJ-UHFFFAOYSA-N 0 0 304.777 3.493 20 10 DGCDRN CC[C@H](COC)NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000266912416 522245006 /nfs/dbraw/zinc/24/50/06/522245006.db2.gz ZVOMWRKYMCOQCI-MRXNPFEDSA-N 0 0 321.465 3.098 20 10 DGCDRN CC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(C)c(O)c1O ZINC000182507938 522306473 /nfs/dbraw/zinc/30/64/73/522306473.db2.gz WZLVUUBKTNDEHW-OAHLLOKOSA-N 0 0 313.397 3.500 20 10 DGCDRN CC[C@H](NC(=O)c1ccc(C)c(O)c1O)c1nc(C)cs1 ZINC000179483261 522531539 /nfs/dbraw/zinc/53/15/39/522531539.db2.gz NJHLZTKOMMCPAK-NSHDSACASA-N 0 0 306.387 3.052 20 10 DGCDRN CC[C@H]([NH2+]CCc1cn2c(n1)CCCC2)c1ccc(F)cc1[O-] ZINC000367613965 522604137 /nfs/dbraw/zinc/60/41/37/522604137.db2.gz GPNVTJOQPBAHPT-INIZCTEOSA-N 0 0 317.408 3.348 20 10 DGCDRN CCc1ncnc(N2CC=C(c3c[nH]c4ncccc34)CC2)c1F ZINC000270882498 522608392 /nfs/dbraw/zinc/60/83/92/522608392.db2.gz AUVSJZABVNTGAX-UHFFFAOYSA-N 0 0 323.375 3.348 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Nc1nc(C(C)(C)C)ns1 ZINC000265273528 523380952 /nfs/dbraw/zinc/38/09/52/523380952.db2.gz KYVKCBSGUWMRKA-UHFFFAOYSA-N 0 0 320.418 3.205 20 10 DGCDRN CO[C@@H](C)c1nc(CNCc2ccc(N(C)C)cc2)cs1 ZINC000267633534 523474149 /nfs/dbraw/zinc/47/41/49/523474149.db2.gz OQWIXDOCBCQRAW-LBPRGKRZSA-N 0 0 305.447 3.206 20 10 DGCDRN CCc1cc(O)ccc1NS(=O)(=O)c1ccc(OC)c(C)c1 ZINC000189434514 523829658 /nfs/dbraw/zinc/82/96/58/523829658.db2.gz XOKGWWCLKFLYPY-UHFFFAOYSA-N 0 0 321.398 3.072 20 10 DGCDRN CO[C@H](C)CCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000182998543 523855033 /nfs/dbraw/zinc/85/50/33/523855033.db2.gz LVVMZBUSMQBANU-MRXNPFEDSA-N 0 0 318.461 3.450 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000266150074 524120682 /nfs/dbraw/zinc/12/06/82/524120682.db2.gz IVTBUDVQCAJTHV-GOEBONIOSA-N 0 0 312.413 3.249 20 10 DGCDRN C[C@H](CCc1ccccc1F)C(=O)NCc1ccccc1O ZINC000266543614 524250873 /nfs/dbraw/zinc/25/08/73/524250873.db2.gz LPLUSQZAIXHEKE-CYBMUJFWSA-N 0 0 301.361 3.416 20 10 DGCDRN COc1ccc(N(C)CC(=O)N(C)Cc2ccco2)cc1Cl ZINC000121854679 524350335 /nfs/dbraw/zinc/35/03/35/524350335.db2.gz RLMPYHFJMJPYOJ-UHFFFAOYSA-N 0 0 322.792 3.036 20 10 DGCDRN COc1ccc(N(C)Cc2ccc(C(=O)N(C)C)[nH]2)cc1Cl ZINC000180771261 524353529 /nfs/dbraw/zinc/35/35/29/524353529.db2.gz WXEHPVKGHPEOKH-UHFFFAOYSA-N 0 0 321.808 3.015 20 10 DGCDRN COc1ccc(N(C)Cc2nnc(C3CC3)n2C2CC2)cc1F ZINC000181423987 524355734 /nfs/dbraw/zinc/35/57/34/524355734.db2.gz GFXBPYCWJLUIMO-UHFFFAOYSA-N 0 0 316.380 3.275 20 10 DGCDRN C[C@@H]([NH2+]CC[C@@](C)(O)c1ccccc1)c1ccc(F)cc1[O-] ZINC000187927227 525458961 /nfs/dbraw/zinc/45/89/61/525458961.db2.gz BNFNMBDRVCYIMU-FZKQIMNGSA-N 0 0 303.377 3.480 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CSC1(C)C ZINC000338479491 525974177 /nfs/dbraw/zinc/97/41/77/525974177.db2.gz RYJNQPGTUMABLD-OAHLLOKOSA-N 0 0 317.458 3.180 20 10 DGCDRN Cc1cnc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000180582308 526009877 /nfs/dbraw/zinc/00/98/77/526009877.db2.gz WTJONCBINIDCOV-HNNXBMFYSA-N 0 0 318.442 3.338 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000158108285 526329817 /nfs/dbraw/zinc/32/98/17/526329817.db2.gz RCJRRUSWKLLTSG-SNVBAGLBSA-N 0 0 322.758 3.019 20 10 DGCDRN Oc1ccc(F)cc1CN1CCO[C@H](c2ccccc2F)C1 ZINC000180060022 526348694 /nfs/dbraw/zinc/34/86/94/526348694.db2.gz MRNMQIXUUZCBKZ-KRWDZBQOSA-N 0 0 305.324 3.244 20 10 DGCDRN O=C(CCC1CC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000117974861 526394223 /nfs/dbraw/zinc/39/42/23/526394223.db2.gz DBUPJCAGPRXQHX-MRXNPFEDSA-N 0 0 303.402 3.090 20 10 DGCDRN O=C(CC[C@@H]1CCCCO1)NCc1ccc(N2CCCC2)cc1 ZINC000171958639 526551249 /nfs/dbraw/zinc/55/12/49/526551249.db2.gz COMYTVLBASURPQ-SFHVURJKSA-N 0 0 316.445 3.252 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cccnc1Cl ZINC000156319772 526636623 /nfs/dbraw/zinc/63/66/23/526636623.db2.gz XMFDNBZHUMSZQQ-UHFFFAOYSA-N 0 0 316.788 3.249 20 10 DGCDRN Nc1ccc(CC(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000157814634 527475567 /nfs/dbraw/zinc/47/55/67/527475567.db2.gz UIMTWLDSIXORDN-OAHLLOKOSA-N 0 0 314.816 3.481 20 10 DGCDRN Nc1ccc(CC(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000237911752 527478047 /nfs/dbraw/zinc/47/80/47/527478047.db2.gz BKWGLNAAOCQHEQ-IEBWSBKVSA-N 0 0 308.425 3.339 20 10 DGCDRN Nc1ccc(NC(=O)c2ccc(N3CCCCCC3)nc2)cc1 ZINC000160355416 527494786 /nfs/dbraw/zinc/49/47/86/527494786.db2.gz GJXNAGKDZBDJCQ-UHFFFAOYSA-N 0 0 310.401 3.297 20 10 DGCDRN CCC(C)(C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000377511258 528483137 /nfs/dbraw/zinc/48/31/37/528483137.db2.gz MDJNGHHRWVGDMH-UHFFFAOYSA-N 0 0 304.434 3.170 20 10 DGCDRN CCCCNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000343183634 528550961 /nfs/dbraw/zinc/55/09/61/528550961.db2.gz RMAAGFDMRFDEKG-UHFFFAOYSA-N 0 0 302.418 3.434 20 10 DGCDRN CCCCc1nc(CN(CC)c2ccc(OC)c(OC)c2)no1 ZINC000299289577 535095989 /nfs/dbraw/zinc/09/59/89/535095989.db2.gz SKETURYWIFOGKA-UHFFFAOYSA-N 0 0 319.405 3.456 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)CC[C@@H]1CCCO1 ZINC000282378659 535260039 /nfs/dbraw/zinc/26/00/39/535260039.db2.gz CORLXKPZGTWDHX-INIZCTEOSA-N 0 0 305.418 3.480 20 10 DGCDRN CCN(CC)c1ccc(CN(C)Cc2nccn2C)cc1F ZINC000272882779 535683094 /nfs/dbraw/zinc/68/30/94/535683094.db2.gz YBJWNFOLMFDBNG-UHFFFAOYSA-N 0 0 304.413 3.037 20 10 DGCDRN CCOC1(C(=O)N(C)Cc2ccc(N(C)C)cc2)CCCC1 ZINC000284285918 535740085 /nfs/dbraw/zinc/74/00/85/535740085.db2.gz NIEWWDJKKCQADO-UHFFFAOYSA-N 0 0 304.434 3.060 20 10 DGCDRN CC[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccc(F)cc1[O-] ZINC000285890126 535911247 /nfs/dbraw/zinc/91/12/47/535911247.db2.gz CFGZYUGQXSJKTC-RDJZCZTQSA-N 0 0 307.340 3.445 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1ccc(F)cc1[O-] ZINC000286375777 535936809 /nfs/dbraw/zinc/93/68/09/535936809.db2.gz ALERGCVTZSYCRY-LSDHHAIUSA-N 0 0 303.381 3.383 20 10 DGCDRN O=C(NCc1ccccc1O)c1csc(-c2ccoc2)n1 ZINC000731051824 574542693 /nfs/dbraw/zinc/54/26/93/574542693.db2.gz QYEJXLUVGZDVAF-UHFFFAOYSA-N 0 0 300.339 3.039 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCC2(C)CCCC2)cc1F ZINC000731222254 574545607 /nfs/dbraw/zinc/54/56/07/574545607.db2.gz CBUUVWXOPQUWOS-UHFFFAOYSA-N 0 0 307.413 3.271 20 10 DGCDRN CCOC(=O)[C@@H](NCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000731675286 574555292 /nfs/dbraw/zinc/55/52/92/574555292.db2.gz LJBCXMBNIBYGFF-SFHVURJKSA-N 0 0 311.381 3.016 20 10 DGCDRN CCN(CCNC(=O)C1=CC(=O)CS1)c1ccccc1C ZINC000731870217 574560504 /nfs/dbraw/zinc/56/05/04/574560504.db2.gz VHDXMEFVQBGSIP-UHFFFAOYSA-N 0 0 304.415 3.018 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000731866912 574561122 /nfs/dbraw/zinc/56/11/22/574561122.db2.gz KVTDHRAVAVXRSM-MRXNPFEDSA-N 0 0 317.410 3.040 20 10 DGCDRN Cc1cccc(N2CCN(C(=O)C3=CC(=O)CS3)CC2)c1C ZINC000731868234 574561374 /nfs/dbraw/zinc/56/13/74/574561374.db2.gz SOHVMBHMKLBZRA-UHFFFAOYSA-N 0 0 316.426 3.033 20 10 DGCDRN C[C@H](OCCCNC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000731867851 574561433 /nfs/dbraw/zinc/56/14/33/574561433.db2.gz YGSGHTULAMXWHW-LBPRGKRZSA-N 0 0 305.399 3.351 20 10 DGCDRN Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)C1=CC(=O)CS1 ZINC000731912612 574561645 /nfs/dbraw/zinc/56/16/45/574561645.db2.gz UWBAHRFFWBWDFJ-LLVKDONJSA-N 0 0 319.382 3.255 20 10 DGCDRN Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)C1=CC(=O)CS1 ZINC000731912613 574561648 /nfs/dbraw/zinc/56/16/48/574561648.db2.gz UWBAHRFFWBWDFJ-NSHDSACASA-N 0 0 319.382 3.255 20 10 DGCDRN CCCc1ccc(C(=O)COC(=O)C2=CC(=O)CS2)cc1 ZINC000731912219 574561766 /nfs/dbraw/zinc/56/17/66/574561766.db2.gz QRPFDPGNPDAMSG-UHFFFAOYSA-N 0 0 304.367 3.446 20 10 DGCDRN C[C@@H](OC(=O)C1=CC(=O)CS1)C(=O)c1ccc2c(c1)CCC2 ZINC000731910767 574561870 /nfs/dbraw/zinc/56/18/70/574561870.db2.gz CCMPGAMZMMJFBA-SNVBAGLBSA-N 0 0 316.378 3.371 20 10 DGCDRN O=C(COC(=O)C1=CC(=O)CS1)C12CC3CC(CC(C3)C1)C2 ZINC000731909586 574561914 /nfs/dbraw/zinc/56/19/14/574561914.db2.gz FGHORLXOMOLWMI-UHFFFAOYSA-N 0 0 320.410 3.396 20 10 DGCDRN COC(=O)CN(Cc1ccccc1)Cc1cc(Cl)ccc1O ZINC000732203034 574567777 /nfs/dbraw/zinc/56/77/77/574567777.db2.gz LXZGTPKALALHTE-UHFFFAOYSA-N 0 0 319.788 3.221 20 10 DGCDRN CCc1nc(CN(Cc2ccccc2O)C2CCCC2)no1 ZINC000732205000 574568298 /nfs/dbraw/zinc/56/82/98/574568298.db2.gz XCGMUZWNCVUNDT-UHFFFAOYSA-N 0 0 301.390 3.282 20 10 DGCDRN CCN(Cc1ccccc1NC(=O)C1=CC(=O)CS1)C(C)=O ZINC000732270410 574569672 /nfs/dbraw/zinc/56/96/72/574569672.db2.gz BFPPKRMLQYMJIH-UHFFFAOYSA-N 0 0 318.398 3.074 20 10 DGCDRN CC(C)COc1cccc(CNC(=O)C2=CC(=O)CS2)c1 ZINC000732278166 574570118 /nfs/dbraw/zinc/57/01/18/574570118.db2.gz USZLVGGEEGQDCQ-UHFFFAOYSA-N 0 0 305.399 3.419 20 10 DGCDRN CCc1cccc2c(CCNC(=O)C3=CC(=O)CS3)c[nH]c21 ZINC000732301402 574570230 /nfs/dbraw/zinc/57/02/30/574570230.db2.gz AXSYZRRZCSCDCJ-UHFFFAOYSA-N 0 0 314.410 3.470 20 10 DGCDRN O=C(OCc1cccc(OC(F)F)c1)C1=CC(=O)CS1 ZINC000732353281 574572114 /nfs/dbraw/zinc/57/21/14/574572114.db2.gz DXKVGXGMDYCFLC-UHFFFAOYSA-N 0 0 300.282 3.412 20 10 DGCDRN C[C@@H](OC(=O)C1=CC(=O)CS1)c1nc(-c2cccs2)no1 ZINC000732352768 574572175 /nfs/dbraw/zinc/57/21/75/574572175.db2.gz GKSKFBRORBQRDW-SSDOTTSWSA-N 0 0 322.367 3.483 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC[C@H]2CC2(C)C)cc1 ZINC000732823437 574584133 /nfs/dbraw/zinc/58/41/33/574584133.db2.gz UJIZWQOLOQKCCT-OAHLLOKOSA-N 0 0 303.450 3.378 20 10 DGCDRN C[C@H](CC(=O)NCc1ccc(N(C)C)cc1)C(=O)c1ccccc1 ZINC000732750831 574581383 /nfs/dbraw/zinc/58/13/83/574581383.db2.gz FFIAMBJFHZBZAN-OAHLLOKOSA-N 0 0 324.424 3.278 20 10 DGCDRN Cc1cc(CNC(=O)c2cc(C)n(-c3ccccc3C)c2C)[nH]n1 ZINC000733285095 574612411 /nfs/dbraw/zinc/61/24/11/574612411.db2.gz AZPJWJHZQJHGKH-UHFFFAOYSA-N 0 0 322.412 3.364 20 10 DGCDRN C[C@H](Oc1ccc(F)cc1Cl)C(=O)NCc1ccccc1O ZINC000733360287 574617800 /nfs/dbraw/zinc/61/78/00/574617800.db2.gz GWSMJDXKZCYKMN-JTQLQIEISA-N 0 0 323.751 3.268 20 10 DGCDRN CC[C@H](NC(=O)NCc1cc(OC)ccc1O)c1ccccc1 ZINC000734068204 574649775 /nfs/dbraw/zinc/64/97/75/574649775.db2.gz WDKMBAYQQUEMJQ-INIZCTEOSA-N 0 0 314.385 3.351 20 10 DGCDRN CN(C)c1ccc(C(=O)NCCCSc2nccs2)cc1 ZINC000734358761 574659163 /nfs/dbraw/zinc/65/91/63/574659163.db2.gz NAKDVXJEOWSRQN-UHFFFAOYSA-N 0 0 321.471 3.121 20 10 DGCDRN Cc1ccc(C(=O)NCCCSc2nccs2)c(O)c1 ZINC000734358210 574659381 /nfs/dbraw/zinc/65/93/81/574659381.db2.gz FGJFNSPRXOEYJF-UHFFFAOYSA-N 0 0 308.428 3.069 20 10 DGCDRN COc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)cc1F ZINC000734405900 574659637 /nfs/dbraw/zinc/65/96/37/574659637.db2.gz MPLMPPNMJMKUGU-UHFFFAOYSA-N 0 0 316.376 3.139 20 10 DGCDRN Cc1cn2nc(NCc3ccc(N(C)C)cc3C)sc2n1 ZINC000734482022 574661941 /nfs/dbraw/zinc/66/19/41/574661941.db2.gz HEMLPCBDJTZKSD-UHFFFAOYSA-N 0 0 301.419 3.086 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000734526790 574666626 /nfs/dbraw/zinc/66/66/26/574666626.db2.gz UHRJQHIYZFUYSC-CZUORRHYSA-N 0 0 303.450 3.439 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H]1C1CC1 ZINC000734687393 574672349 /nfs/dbraw/zinc/67/23/49/574672349.db2.gz YFOFWTKAYLSTGH-QGZVFWFLSA-N 0 0 301.434 3.145 20 10 DGCDRN CCc1ccccc1NNC(=S)Nc1ccc2c(c1)OCO2 ZINC000735234899 574693368 /nfs/dbraw/zinc/69/33/68/574693368.db2.gz BFLKSPOXTJVKHO-UHFFFAOYSA-N 0 0 315.398 3.291 20 10 DGCDRN COc1cc(C)nc(N(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000735486751 574703696 /nfs/dbraw/zinc/70/36/96/574703696.db2.gz IQTYREATHKOPMO-UHFFFAOYSA-N 0 0 312.417 3.029 20 10 DGCDRN COc1ccc(N(Cc2cc(=O)c(O)co2)CC(C)C)cc1 ZINC000736308663 574741718 /nfs/dbraw/zinc/74/17/18/574741718.db2.gz LURWJAZFUPDRTN-UHFFFAOYSA-N 0 0 303.358 3.017 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C)CSC)cc1 ZINC000736405584 574748510 /nfs/dbraw/zinc/74/85/10/574748510.db2.gz OVSJEUURTFATPC-AWEZNQCLSA-N 0 0 323.506 3.426 20 10 DGCDRN Oc1ccccc1CN(C[C@@H]1CCCO1)CC(F)(F)C(F)F ZINC000736618515 574760325 /nfs/dbraw/zinc/76/03/25/574760325.db2.gz FUHYZXFWJAWBQD-LBPRGKRZSA-N 0 0 321.314 3.274 20 10 DGCDRN CCO[C@@H](C)c1noc(CN(CC)c2ccc(OC)cc2)n1 ZINC000736621035 574761299 /nfs/dbraw/zinc/76/12/99/574761299.db2.gz QDDWQIYWHRSBJL-LBPRGKRZSA-N 0 0 305.378 3.202 20 10 DGCDRN CCC[N@H+](Cc1cc(C(=O)[O-])c(C)o1)Cc1ccccc1O ZINC000737019671 574817170 /nfs/dbraw/zinc/81/71/70/574817170.db2.gz IINIPRHXTHBCPC-UHFFFAOYSA-N 0 0 303.358 3.404 20 10 DGCDRN CCC[N@H+](Cc1cc(C(=O)[O-])oc1C)Cc1ccccc1O ZINC000737020912 574817390 /nfs/dbraw/zinc/81/73/90/574817390.db2.gz NRQQQHMECUJKFA-UHFFFAOYSA-N 0 0 303.358 3.404 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)N2CCc3ccccc32)cc1 ZINC000739926977 574916087 /nfs/dbraw/zinc/91/60/87/574916087.db2.gz QKTQTFMZAMJCAK-UHFFFAOYSA-N 0 0 310.397 3.111 20 10 DGCDRN O=C([O-])Nc1ccc(CC[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000740021264 574919238 /nfs/dbraw/zinc/91/92/38/574919238.db2.gz ZSBSXTGDFPPKQD-UHFFFAOYSA-N 0 0 320.776 3.468 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1Cc2ccccc21 ZINC000740741801 574941171 /nfs/dbraw/zinc/94/11/71/574941171.db2.gz SUZWIPVVIIWGAJ-IBGZPJMESA-N 0 0 306.409 3.243 20 10 DGCDRN CCN1C(=O)/C(=C\c2nccc3ccccc23)SC1=S ZINC000740763531 574941665 /nfs/dbraw/zinc/94/16/65/574941665.db2.gz DHZVPXIMSRIUKI-UKTHLTGXSA-N 0 0 300.408 3.456 20 10 DGCDRN COC[C@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)C(C)C ZINC000741612820 574964213 /nfs/dbraw/zinc/96/42/13/574964213.db2.gz WEKOQKWHZDGMOE-SFHVURJKSA-N 0 0 314.429 3.495 20 10 DGCDRN Cc1cnc(N(C)Cc2ccc(N(C)C)cc2)c([N+](=O)[O-])c1 ZINC000742428616 574999754 /nfs/dbraw/zinc/99/97/54/574999754.db2.gz DDVBRWSAEJKYGO-UHFFFAOYSA-N 0 0 300.362 3.001 20 10 DGCDRN CN1C(=O)C2(CCCC2)N[C@@H]1c1cc(-c2ccccc2)ccc1O ZINC000742438851 575000047 /nfs/dbraw/zinc/00/00/47/575000047.db2.gz GGIOFEBBKFWHOG-SFHVURJKSA-N 0 0 322.408 3.432 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCSC2)cc1 ZINC000742778659 575018774 /nfs/dbraw/zinc/01/87/74/575018774.db2.gz RAEGRBSKPIHENL-OAHLLOKOSA-N 0 0 300.427 3.329 20 10 DGCDRN CCOc1cccc(NC(=S)NNc2cccc(OC)c2)c1 ZINC000742980636 575026936 /nfs/dbraw/zinc/02/69/36/575026936.db2.gz XDQJFVOMXREYNP-UHFFFAOYSA-N 0 0 317.414 3.407 20 10 DGCDRN Cc1cccc2c(CCC(=O)NCc3ccccc3O)c[nH]c21 ZINC000743327768 575043218 /nfs/dbraw/zinc/04/32/18/575043218.db2.gz PVTTUPGIMWMYKS-UHFFFAOYSA-N 0 0 308.381 3.431 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CC[C@@H]1CC[C@@H](C)O1 ZINC000743415569 575049996 /nfs/dbraw/zinc/04/99/96/575049996.db2.gz GHVXUIPWQCIRPW-PBHICJAKSA-N 0 0 304.434 3.025 20 10 DGCDRN CC[C@@H](C[C@H](C)CO)[NH2+]Cc1cccc(Br)c1[O-] ZINC000743499197 575054411 /nfs/dbraw/zinc/05/44/11/575054411.db2.gz JJMGGZFPIOEQIX-JQWIXIFHSA-N 0 0 316.239 3.041 20 10 DGCDRN CCc1nnc(-c2cccc(NC(=O)C3=CC(=O)CS3)c2)o1 ZINC000743815183 575064438 /nfs/dbraw/zinc/06/44/38/575064438.db2.gz FENLHYXCMMVYNS-UHFFFAOYSA-N 0 0 315.354 3.318 20 10 DGCDRN C[C@H]1CCC[C@@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743590333 575057981 /nfs/dbraw/zinc/05/79/81/575057981.db2.gz FQJOVMULGYPRNW-LRDDRELGSA-N 0 0 302.418 3.259 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCCCC(F)(F)F ZINC000743708423 575061784 /nfs/dbraw/zinc/06/17/84/575061784.db2.gz CWVDYTJXUUFECL-UHFFFAOYSA-N 0 0 317.355 3.203 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc2c(c1)CCO2 ZINC000743718653 575062146 /nfs/dbraw/zinc/06/21/46/575062146.db2.gz IPBKIYPWOWALSA-UHFFFAOYSA-N 0 0 323.392 3.136 20 10 DGCDRN C[C@@H]1CCC[C@H](C)CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000743810957 575064104 /nfs/dbraw/zinc/06/41/04/575064104.db2.gz HIVWBNALYVBWHJ-LSDHHAIUSA-N 0 0 303.450 3.473 20 10 DGCDRN C[C@@H]1CCC[C@@H](C)N(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000743810956 575064177 /nfs/dbraw/zinc/06/41/77/575064177.db2.gz HIVWBNALYVBWHJ-HUUCEWRRSA-N 0 0 303.450 3.473 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(Cl)cc2O)c1 ZINC000728980874 575199045 /nfs/dbraw/zinc/19/90/45/575199045.db2.gz PCRUXIDBWWMPHL-SECBINFHSA-N 0 0 321.760 3.251 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(C)ccc2F)c1 ZINC000728978436 575198853 /nfs/dbraw/zinc/19/88/53/575198853.db2.gz HMGJCKAQMQLGNW-NSHDSACASA-N 0 0 303.333 3.339 20 10 DGCDRN C[C@H]1CCC[C@@H]1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000729506946 575253554 /nfs/dbraw/zinc/25/35/54/575253554.db2.gz ANKMYEAFTSOXDH-BBRMVZONSA-N 0 0 301.434 3.057 20 10 DGCDRN Cc1cn(-c2ccccc2)nc1NC(=O)NCc1ccccc1O ZINC000730126182 575275376 /nfs/dbraw/zinc/27/53/76/575275376.db2.gz SUINBKAFOITZJS-UHFFFAOYSA-N 0 0 322.368 3.208 20 10 DGCDRN C[C@H]1CCN(CC[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000744449908 575343842 /nfs/dbraw/zinc/34/38/42/575343842.db2.gz HWGCLENUXCLPMD-JTQLQIEISA-N 0 0 303.233 3.130 20 10 DGCDRN O=C(/C=C/c1cccnc1)N1CCN(CC2CC2)c2ccccc21 ZINC000744753071 575354901 /nfs/dbraw/zinc/35/49/01/575354901.db2.gz FRTNNOVDNYIZQL-MDZDMXLPSA-N 0 0 319.408 3.358 20 10 DGCDRN COc1cccc(CCCOC(=O)c2ccc(C)c(O)c2O)c1 ZINC000744909594 575363868 /nfs/dbraw/zinc/36/38/68/575363868.db2.gz JNXUZDMBHYAMDD-UHFFFAOYSA-N 0 0 316.353 3.204 20 10 DGCDRN CC[C@@H]1C[C@@H](C)CN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000745839292 575420133 /nfs/dbraw/zinc/42/01/33/575420133.db2.gz WLPZWRCDENILFE-NVXWUHKLSA-N 0 0 313.445 3.393 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1C[C@@]1(C)c1ccccc1 ZINC000745858156 575420180 /nfs/dbraw/zinc/42/01/80/575420180.db2.gz ORSFIYONMKHBJP-HKUYNNGSSA-N 0 0 310.397 3.264 20 10 DGCDRN CCN(CC(=O)Nc1cc(F)ccc1F)c1ccc(OC)cc1 ZINC000746109248 575433195 /nfs/dbraw/zinc/43/31/95/575433195.db2.gz NCAPIULBLREKEV-UHFFFAOYSA-N 0 0 320.339 3.438 20 10 DGCDRN CCN(CC(=O)Nc1cc(F)cc(F)c1)c1ccc(OC)cc1 ZINC000746109527 575433206 /nfs/dbraw/zinc/43/32/06/575433206.db2.gz SBDJXUZDEJRVRV-UHFFFAOYSA-N 0 0 320.339 3.438 20 10 DGCDRN CCOC(=O)c1nc(CN(CC)c2ccc(OC)cc2)cs1 ZINC000746109469 575433234 /nfs/dbraw/zinc/43/32/34/575433234.db2.gz PVVULNJDDNNNBG-UHFFFAOYSA-N 0 0 320.414 3.355 20 10 DGCDRN CCN(CC(=O)Nc1ccc(F)c(F)c1)c1ccc(OC)cc1 ZINC000746108827 575433296 /nfs/dbraw/zinc/43/32/96/575433296.db2.gz FELOOUZLMRZWDR-UHFFFAOYSA-N 0 0 320.339 3.438 20 10 DGCDRN Nc1ccc(CC(=O)NCCOc2ccc3ccccc3c2)cc1 ZINC000746313968 575445067 /nfs/dbraw/zinc/44/50/67/575445067.db2.gz BGAMFSUWPAJSMJ-UHFFFAOYSA-N 0 0 320.392 3.160 20 10 DGCDRN CCOc1ccc(N(CC)CC(=O)N2CCCC[C@H]2C)cc1 ZINC000746664380 575467632 /nfs/dbraw/zinc/46/76/32/575467632.db2.gz ZBMPEDQNONXXSY-OAHLLOKOSA-N 0 0 304.434 3.313 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCc2ccc(C)o2)c1 ZINC000746688140 575469934 /nfs/dbraw/zinc/46/99/34/575469934.db2.gz BVFFYSGHDWLLDT-GFCCVEGCSA-N 0 0 303.358 3.112 20 10 DGCDRN CN(C)[C@@H](CNC(=O)C1=CC(=O)CS1)c1ccc(Cl)cc1 ZINC000746697457 575470532 /nfs/dbraw/zinc/47/05/32/575470532.db2.gz VAGAAJBLIOZUNZ-ZDUSSCGKSA-N 0 0 324.833 3.140 20 10 DGCDRN C[C@H](CNC(=O)C1=CC(=O)CS1)c1nc2ccccc2o1 ZINC000746700922 575470745 /nfs/dbraw/zinc/47/07/45/575470745.db2.gz CSOUNOBVLVWVAF-SECBINFHSA-N 0 0 302.355 3.128 20 10 DGCDRN CO[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000746756597 575473702 /nfs/dbraw/zinc/47/37/02/575473702.db2.gz UVWZBMSDXILOKQ-VXGBXAGGSA-N 0 0 314.223 3.202 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)CCCCOC)cc1 ZINC000746766371 575474264 /nfs/dbraw/zinc/47/42/64/575474264.db2.gz TUNYHVPUQYFNLM-UHFFFAOYSA-N 0 0 306.450 3.308 20 10 DGCDRN Cc1ccc(CC(=O)NCc2ccc3c(c2)CCCN3C)cc1 ZINC000746811871 575475862 /nfs/dbraw/zinc/47/58/62/575475862.db2.gz PQEHOQHBDIOHKD-UHFFFAOYSA-N 0 0 308.425 3.236 20 10 DGCDRN C[C@H]1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000746980884 575487519 /nfs/dbraw/zinc/48/75/19/575487519.db2.gz AXCKVNNOGCNOIX-HNNXBMFYSA-N 0 0 315.461 3.401 20 10 DGCDRN Cc1cc(C)c2c(N)c(C(=O)OCc3nccs3)sc2n1 ZINC000747006943 575489457 /nfs/dbraw/zinc/48/94/57/575489457.db2.gz OOGVCBXNMCVPRN-UHFFFAOYSA-N 0 0 319.411 3.309 20 10 DGCDRN CCOC[C@H](O)CN(Cc1ccccc1)c1ccc(OC)cc1 ZINC000747670711 575531627 /nfs/dbraw/zinc/53/16/27/575531627.db2.gz TZXHLYMPKVMNRU-GOSISDBHSA-N 0 0 315.413 3.099 20 10 DGCDRN CCOc1ccc(N(CC)C[C@@H](O)COCc2ccco2)cc1 ZINC000747682461 575532556 /nfs/dbraw/zinc/53/25/56/575532556.db2.gz LGNGIRWVAOZXMZ-MRXNPFEDSA-N 0 0 319.401 3.082 20 10 DGCDRN CCOc1ccc(N(CC)CC(=O)N2CCC[C@H](C)C2)cc1 ZINC000747682431 575532524 /nfs/dbraw/zinc/53/25/24/575532524.db2.gz KPTYSXQABRRCDA-HNNXBMFYSA-N 0 0 304.434 3.170 20 10 DGCDRN COc1cccc(CNC(=S)Nc2cc(C)ccc2C)n1 ZINC000748044481 575558322 /nfs/dbraw/zinc/55/83/22/575558322.db2.gz CMAHCPSAYFYVDK-UHFFFAOYSA-N 0 0 301.415 3.194 20 10 DGCDRN C[C@H](SCc1ccccc1)C(=O)NCc1ccccc1O ZINC000748344991 575581536 /nfs/dbraw/zinc/58/15/36/575581536.db2.gz FMDXYVYUVWKHMN-ZDUSSCGKSA-N 0 0 301.411 3.330 20 10 DGCDRN O=C(NCc1ccccc1O)C(F)(F)c1cccc(Cl)c1 ZINC000748346562 575581557 /nfs/dbraw/zinc/58/15/57/575581557.db2.gz MMFYSLQLQCAWSB-UHFFFAOYSA-N 0 0 311.715 3.454 20 10 DGCDRN CCOc1ccc2cc(C(=O)NCc3ccccc3O)[nH]c2c1 ZINC000748346507 575581607 /nfs/dbraw/zinc/58/16/07/575581607.db2.gz ZFOGUPPWOAMGHS-UHFFFAOYSA-N 0 0 310.353 3.202 20 10 DGCDRN Cc1ccc(C)c(SCC(=O)NCc2ccccc2O)c1 ZINC000748349891 575582568 /nfs/dbraw/zinc/58/25/68/575582568.db2.gz KFNKHIBFXSXGTE-UHFFFAOYSA-N 0 0 301.411 3.418 20 10 DGCDRN Cc1ccc(SCC(=O)NCc2ccccc2O)c(C)c1 ZINC000748355462 575582957 /nfs/dbraw/zinc/58/29/57/575582957.db2.gz ZCIMLWCIPTWNAL-UHFFFAOYSA-N 0 0 301.411 3.418 20 10 DGCDRN O=C(CSc1ccc2c(c1)CCC2)NCc1ccccc1O ZINC000748354222 575583213 /nfs/dbraw/zinc/58/32/13/575583213.db2.gz WVGKOGATBVAKIW-UHFFFAOYSA-N 0 0 313.422 3.289 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1ccc(OC(F)F)cc1 ZINC000748438575 575586535 /nfs/dbraw/zinc/58/65/35/575586535.db2.gz LNNITJAYGPDKNB-UHFFFAOYSA-N 0 0 308.284 3.315 20 10 DGCDRN COc1ccc(NC(=O)NCc2ccccc2O)cc1Cl ZINC000748439092 575586628 /nfs/dbraw/zinc/58/66/28/575586628.db2.gz UVXQAADYTXYGRO-UHFFFAOYSA-N 0 0 306.749 3.376 20 10 DGCDRN CCOc1ccc(NC(=O)NCc2ccccc2O)cc1F ZINC000748449250 575587709 /nfs/dbraw/zinc/58/77/09/575587709.db2.gz VVOYDVZPUWZJIA-UHFFFAOYSA-N 0 0 304.321 3.252 20 10 DGCDRN CCOc1ccc([C@H](C)NC(=O)NCc2ccccc2O)cc1 ZINC000748463455 575588624 /nfs/dbraw/zinc/58/86/24/575588624.db2.gz RGNXKTIGGGSWEZ-ZDUSSCGKSA-N 0 0 314.385 3.351 20 10 DGCDRN CC[C@H](O)CCCNC(=O)c1sccc1-n1c(C)ccc1C ZINC000748550376 575592966 /nfs/dbraw/zinc/59/29/66/575592966.db2.gz KWOAQCLACXCMGI-AWEZNQCLSA-N 0 0 320.458 3.437 20 10 DGCDRN Cc1nc(-c2cccnc2)nc(NCc2ccccc2O)c1C ZINC000749273556 575641470 /nfs/dbraw/zinc/64/14/70/575641470.db2.gz GBACBONIXBGFEM-UHFFFAOYSA-N 0 0 306.369 3.473 20 10 DGCDRN C[C@@H](C[NH2+]Cc1cccc(Br)c1[O-])c1ccncc1 ZINC000749297235 575643288 /nfs/dbraw/zinc/64/32/88/575643288.db2.gz RYOOCHDQRMKFRG-NSHDSACASA-N 0 0 321.218 3.443 20 10 DGCDRN Cc1cc(C(=O)NCc2ncc[nH]2)c(C)n1-c1cc(C)cc(C)c1 ZINC000749387532 575650210 /nfs/dbraw/zinc/65/02/10/575650210.db2.gz IQSPYIMFYYRMOU-UHFFFAOYSA-N 0 0 322.412 3.364 20 10 DGCDRN COC[C@@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)C1CC1 ZINC000749948189 575691504 /nfs/dbraw/zinc/69/15/04/575691504.db2.gz IPJAZVSARQYXTP-GOSISDBHSA-N 0 0 312.413 3.249 20 10 DGCDRN Cc1cnc(CN(C)Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000750282037 575716309 /nfs/dbraw/zinc/71/63/09/575716309.db2.gz KISHZUNETAWGII-UHFFFAOYSA-N 0 0 310.445 3.407 20 10 DGCDRN Cc1ccc(C(=O)OCc2cccc3cccnc32)c(O)c1O ZINC000750620283 575742680 /nfs/dbraw/zinc/74/26/80/575742680.db2.gz XZKBKTAWBFGIPU-UHFFFAOYSA-N 0 0 309.321 3.311 20 10 DGCDRN Cc1ccc(/C=C\S(=O)(=O)N(C)Cc2ccccc2O)cc1 ZINC000751239472 575776794 /nfs/dbraw/zinc/77/67/94/575776794.db2.gz JUXSSTAUSLLMOM-QXMHVHEDSA-N 0 0 317.410 3.133 20 10 DGCDRN Cn1cc(/C=C/C(=O)N2CC3(CCCC3)c3ccccc32)cn1 ZINC000751311048 575779634 /nfs/dbraw/zinc/77/96/34/575779634.db2.gz FCLRZBKCOMULBN-CMDGGOBGSA-N 0 0 307.397 3.292 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C2CC2)c(O)c1O ZINC000751538644 575789886 /nfs/dbraw/zinc/78/98/86/575789886.db2.gz UENVYDDVCJPILT-INIZCTEOSA-N 0 0 311.381 3.157 20 10 DGCDRN Cc1cc(C(=O)OCC(=O)CC(C)C)c(C)n1-c1ccccn1 ZINC000751643894 575795098 /nfs/dbraw/zinc/79/50/98/575795098.db2.gz DOVKXNJEBSFZIC-UHFFFAOYSA-N 0 0 314.385 3.261 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@H](C)[C@@H](C)C2)cc1 ZINC000752005457 575817678 /nfs/dbraw/zinc/81/76/78/575817678.db2.gz QOINQFPAPWLRJI-GJZGRUSLSA-N 0 0 303.450 3.330 20 10 DGCDRN COCc1cccc(CN(C)c2ccc(OC)cc2OC)c1 ZINC000752126456 575824275 /nfs/dbraw/zinc/82/42/75/575824275.db2.gz SLZCUBPJYKCCEP-UHFFFAOYSA-N 0 0 301.386 3.487 20 10 DGCDRN COCC[C@@H](C)NC(=O)c1sccc1-n1c(C)ccc1C ZINC000725722213 575842630 /nfs/dbraw/zinc/84/26/30/575842630.db2.gz QMRTUFLBMBBGAJ-LLVKDONJSA-N 0 0 306.431 3.310 20 10 DGCDRN COc1ccc(C=C2SC(NC3CCCC3)=NC2=O)cc1F ZINC000205511560 575969395 /nfs/dbraw/zinc/96/93/95/575969395.db2.gz KOYWZBPFKRRMES-NTEUORMPSA-N 0 0 320.389 3.337 20 10 DGCDRN C[C@H](CNC(=O)NCc1ccccc1O)c1ccc(F)cc1 ZINC000726241965 576014465 /nfs/dbraw/zinc/01/44/65/576014465.db2.gz QIZBDGOCTUTUQD-GFCCVEGCSA-N 0 0 302.349 3.134 20 10 DGCDRN O=C(NCc1ccc(F)c(Cl)c1)NCc1ccccc1O ZINC000726277714 576015100 /nfs/dbraw/zinc/01/51/00/576015100.db2.gz DNNRBDBPVZXBLL-UHFFFAOYSA-N 0 0 308.740 3.184 20 10 DGCDRN COc1ccc(NC(=S)NNc2cccc(C)c2)cc1F ZINC000726435726 576021928 /nfs/dbraw/zinc/02/19/28/576021928.db2.gz XASSBNLVKHCKSG-UHFFFAOYSA-N 0 0 305.378 3.456 20 10 DGCDRN COc1cccc(NNC(=S)Nc2ccc(OC)c(F)c2)c1 ZINC000726447228 576023511 /nfs/dbraw/zinc/02/35/11/576023511.db2.gz SUSNLIGKXNPLJW-UHFFFAOYSA-N 0 0 321.377 3.156 20 10 DGCDRN COc1ccc(N2CCC(Nc3ncnc4[nH]ccc43)CC2)cc1 ZINC000726968503 576088646 /nfs/dbraw/zinc/08/86/46/576088646.db2.gz VQYSREVQMNMTHC-UHFFFAOYSA-N 0 0 323.400 3.047 20 10 DGCDRN Cc1ccc2nc(CN(C)Cc3ccc(N(C)C)cc3)cn2c1 ZINC000726981334 576091429 /nfs/dbraw/zinc/09/14/29/576091429.db2.gz RNUFYUHEULJTPQ-UHFFFAOYSA-N 0 0 308.429 3.341 20 10 DGCDRN CN(C)c1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1F ZINC000727658250 576137356 /nfs/dbraw/zinc/13/73/56/576137356.db2.gz DQWKIJRMEULQJS-RVDMUPIBSA-N 0 0 310.328 3.236 20 10 DGCDRN CC[C@H]1CCCN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000727941324 576155518 /nfs/dbraw/zinc/15/55/18/576155518.db2.gz QMSMMUVTSSCQAN-INIZCTEOSA-N 0 0 301.434 3.153 20 10 DGCDRN Oc1ccccc1CNc1ccc2nnc(-c3ccccc3)n2n1 ZINC000728566546 576188224 /nfs/dbraw/zinc/18/82/24/576188224.db2.gz BEVDWVXOYASIFM-UHFFFAOYSA-N 0 0 317.352 3.109 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H]2C[C@@H]2C)cc1 ZINC000916639644 620640549 /nfs/dbraw/zinc/64/05/49/620640549.db2.gz OFANGZWBEQCSRR-HOCLYGCPSA-N 0 0 303.450 3.330 20 10 DGCDRN Cc1cc(CN2CCO[C@H](CC(F)(F)F)C2)ccc1N(C)C ZINC000852741073 620644640 /nfs/dbraw/zinc/64/46/40/620644640.db2.gz VSYVZKZVOQKPOW-CQSZACIVSA-N 0 0 316.367 3.214 20 10 DGCDRN CCN(C)c1ccc(CN2CCO[C@H](CC(F)(F)F)C2)cc1 ZINC000852741212 620644665 /nfs/dbraw/zinc/64/46/65/620644665.db2.gz XTVUBQZFVIDPFB-OAHLLOKOSA-N 0 0 316.367 3.296 20 10 DGCDRN CN(C)c1ccc(CN(c2ccc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000917091298 620656099 /nfs/dbraw/zinc/65/60/99/620656099.db2.gz OJDGKEGCJTZGOQ-UHFFFAOYSA-N 0 0 312.373 3.225 20 10 DGCDRN CC1(C)C[C@]1(CNC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000852931037 620655776 /nfs/dbraw/zinc/65/57/76/620655776.db2.gz RDGBTJNJWGRDBC-FQEVSTJZSA-N 0 0 308.425 3.295 20 10 DGCDRN COC(=O)/C=C/c1ccc(N(C)CCC(C)C)c([N+](=O)[O-])c1 ZINC000917094807 620656601 /nfs/dbraw/zinc/65/66/01/620656601.db2.gz KNBUKUIGHYYBPM-SOFGYWHQSA-N 0 0 306.362 3.263 20 10 DGCDRN Cc1cc(CC(=O)OCc2ccnn2C)c(C)n1-c1ccccc1 ZINC000853112277 620670143 /nfs/dbraw/zinc/67/01/43/620670143.db2.gz VPIGRPQDLOVLGA-UHFFFAOYSA-N 0 0 323.396 3.114 20 10 DGCDRN CC(C)CNC(=S)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000917593488 620677225 /nfs/dbraw/zinc/67/72/25/620677225.db2.gz OHCLIQMIZHHWJN-UHFFFAOYSA-N 0 0 307.507 3.494 20 10 DGCDRN CC(C)CO[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917643685 620679930 /nfs/dbraw/zinc/67/99/30/620679930.db2.gz YZPMQNRSCYCOLN-HNNXBMFYSA-N 0 0 318.461 3.305 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cc(Cl)cn2C)cc1 ZINC000918112536 620697050 /nfs/dbraw/zinc/69/70/50/620697050.db2.gz BPMZWWMCHODMRV-UHFFFAOYSA-N 0 0 319.836 3.455 20 10 DGCDRN CN(C)c1ccc(OC[C@@H]2CCN(C(=O)c3ccccc3)C2)cc1 ZINC000853693157 620725263 /nfs/dbraw/zinc/72/52/63/620725263.db2.gz OLBNSPCPPCMVHL-MRXNPFEDSA-N 0 0 324.424 3.294 20 10 DGCDRN Cc1sc(C)c(S(=O)(=O)N2Cc3cccc(O)c3C2)c1C ZINC000918883481 620730095 /nfs/dbraw/zinc/73/00/95/620730095.db2.gz PCKPWARELVNJTK-UHFFFAOYSA-N 0 0 323.439 3.083 20 10 DGCDRN COc1ccc(N2CC[C@H](Nc3cc(C)nc(C4CC4)n3)C2)cc1 ZINC000853758744 620734583 /nfs/dbraw/zinc/73/45/83/620734583.db2.gz JYSNMFHGKJQVNK-HNNXBMFYSA-N 0 0 324.428 3.362 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C)C[C@@H]1CC1(C)C ZINC000853748357 620732500 /nfs/dbraw/zinc/73/25/00/620732500.db2.gz CIAOPGHUBFPYLB-HNNXBMFYSA-N 0 0 303.450 3.249 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1cnc(C2CC2)s1 ZINC000154909006 620737498 /nfs/dbraw/zinc/73/74/98/620737498.db2.gz APFBENJIEQLCAI-UHFFFAOYSA-N 0 0 315.442 3.486 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CCn2ccnc2C1)c1cccc(Cl)c1[O-] ZINC000806159997 617618837 /nfs/dbraw/zinc/61/88/37/617618837.db2.gz DAOMWNQNGNLLSG-RISCZKNCSA-N 0 0 305.809 3.298 20 10 DGCDRN CC[C@@H]([NH2+][C@@H]1CCn2ccnc2C1)c1cccc(Cl)c1[O-] ZINC000806159995 617618846 /nfs/dbraw/zinc/61/88/46/617618846.db2.gz DAOMWNQNGNLLSG-BXUZGUMPSA-N 0 0 305.809 3.298 20 10 DGCDRN Cc1ccc(/C=C\C(=O)N2CC3(CC3)Oc3ccccc32)cn1 ZINC000890619947 617627864 /nfs/dbraw/zinc/62/78/64/617627864.db2.gz UTUJRUHLEYNQKM-HJWRWDBZSA-N 0 0 306.365 3.361 20 10 DGCDRN CS[C@H]1CCC[C@@H](NC(=O)NCc2c(O)cccc2F)C1 ZINC000919225000 620740690 /nfs/dbraw/zinc/74/06/90/620740690.db2.gz DGESIXOCSAUCJC-MNOVXSKESA-N 0 0 312.410 3.005 20 10 DGCDRN CCCCn1ncc(C(=O)NCc2cccc(Cl)c2O)c1C ZINC000890759688 617656397 /nfs/dbraw/zinc/65/63/97/617656397.db2.gz HARNSXAMFYHAAN-UHFFFAOYSA-N 0 0 321.808 3.281 20 10 DGCDRN Cc1oc(C(C)C)nc1C(=O)NCc1cccc(Cl)c1O ZINC000890759139 617656555 /nfs/dbraw/zinc/65/65/55/617656555.db2.gz DMFGEXUTGZQBIB-UHFFFAOYSA-N 0 0 308.765 3.395 20 10 DGCDRN CC[C@H](C)n1nc(C(=O)NCc2cccc(Cl)c2O)cc1C ZINC000890759946 617657077 /nfs/dbraw/zinc/65/70/77/617657077.db2.gz WXFWJYSIJNWFPR-JTQLQIEISA-N 0 0 321.808 3.452 20 10 DGCDRN CC(C)C[C@H](C(=O)NCc1cccc(Cl)c1O)n1ccnc1 ZINC000890760840 617657123 /nfs/dbraw/zinc/65/71/23/617657123.db2.gz APOCFSNIGHOZPX-CQSZACIVSA-N 0 0 321.808 3.146 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C(C)=O)cc2)c1 ZINC000111608265 620741036 /nfs/dbraw/zinc/74/10/36/620741036.db2.gz BMSLZFQLNSHKGB-LLVKDONJSA-N 0 0 313.353 3.094 20 10 DGCDRN O=C(C[C@@H]1CCC2(CCC2)O1)NCc1cccc(Cl)c1O ZINC000890762458 617658012 /nfs/dbraw/zinc/65/80/12/617658012.db2.gz DBKVLZLURFGOCB-LBPRGKRZSA-N 0 0 309.793 3.154 20 10 DGCDRN CC(C)[C@H]1C[C@H](C(=O)NCc2cccc(Cl)c2O)CCO1 ZINC000890762846 617658472 /nfs/dbraw/zinc/65/84/72/617658472.db2.gz KNAWLXTTYQBSJY-BXUZGUMPSA-N 0 0 311.809 3.113 20 10 DGCDRN O=C(NCc1cc(Br)ccc1O)C1(F)CCCC1 ZINC000804733665 617661514 /nfs/dbraw/zinc/66/15/14/617661514.db2.gz XDQPUFKMRVUEDF-UHFFFAOYSA-N 0 0 316.170 3.053 20 10 DGCDRN O=C(NCc1cc(Br)ccc1O)c1ccsc1 ZINC000804736561 617661946 /nfs/dbraw/zinc/66/19/46/617661946.db2.gz XRIVJVMTFCKJOT-UHFFFAOYSA-N 0 0 312.188 3.146 20 10 DGCDRN CC1=C(C(=O)NCc2cc(Br)ccc2O)CCC1 ZINC000804736471 617662125 /nfs/dbraw/zinc/66/21/25/617662125.db2.gz VDWZBPGEJPSWJC-UHFFFAOYSA-N 0 0 310.191 3.271 20 10 DGCDRN CCc1nc(C)cc(NCc2cc(Br)ccc2O)n1 ZINC000804828326 617680013 /nfs/dbraw/zinc/68/00/13/617680013.db2.gz NIHNRWCFYWRNCL-UHFFFAOYSA-N 0 0 322.206 3.428 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Cc1cc(F)c(F)cc1F ZINC000135034768 617755548 /nfs/dbraw/zinc/75/55/48/617755548.db2.gz GNVSEMCAUDIGBQ-UHFFFAOYSA-N 0 0 309.287 3.011 20 10 DGCDRN Cc1nn(C)c(CN(C)Cc2ccc(N(C)C)cc2)c1Cl ZINC000891398685 617791813 /nfs/dbraw/zinc/79/18/13/617791813.db2.gz YBRJXOWSOSACJI-UHFFFAOYSA-N 0 0 306.841 3.080 20 10 DGCDRN CCCN(Cc1ccc(OC)c(OC)c1O)CC(F)(F)F ZINC000891711762 617876754 /nfs/dbraw/zinc/87/67/54/617876754.db2.gz BKMXKLVYUOYFAI-UHFFFAOYSA-N 0 0 307.312 3.184 20 10 DGCDRN Cc1ccc(C[C@@H](C)NC(=O)NCc2c(O)cccc2F)s1 ZINC000919666375 620760130 /nfs/dbraw/zinc/76/01/30/620760130.db2.gz COTZMHYIDYYTBX-SNVBAGLBSA-N 0 0 322.405 3.332 20 10 DGCDRN C[C@H]1c2sccc2CCN1C(=O)NCCc1ccc(N)cc1 ZINC000892038741 617949673 /nfs/dbraw/zinc/94/96/73/617949673.db2.gz JBSGDKPAWOSOGQ-LBPRGKRZSA-N 0 0 315.442 3.202 20 10 DGCDRN CC1(C)Nc2ccccc2[C@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000892038974 617949686 /nfs/dbraw/zinc/94/96/86/617949686.db2.gz MVNZQYQCCRNNEE-QGZVFWFLSA-N 0 0 324.428 3.056 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccns1 ZINC000889118535 617960234 /nfs/dbraw/zinc/96/02/34/617960234.db2.gz KOPKVWSAICPLTC-UHFFFAOYSA-N 0 0 303.387 3.049 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccns1 ZINC000889129152 618007304 /nfs/dbraw/zinc/00/73/04/618007304.db2.gz XTJIRWPRTJRLKG-UHFFFAOYSA-N 0 0 302.403 3.065 20 10 DGCDRN O=C(NCC[C@H]1CNc2ccccc21)N1Cc2cccc(O)c2C1 ZINC000892361991 618042754 /nfs/dbraw/zinc/04/27/54/618042754.db2.gz GGSDQIXAJJEIKF-ZDUSSCGKSA-N 0 0 323.396 3.017 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000854227209 620786696 /nfs/dbraw/zinc/78/66/96/620786696.db2.gz UIGSXWLWWPLQDF-QLJPJBMISA-N 0 0 313.357 3.221 20 10 DGCDRN CN(C)c1ccc(/C=C\C[NH2+]CC2(C(=O)[O-])CCCC2)cc1 ZINC000854243034 620787686 /nfs/dbraw/zinc/78/76/86/620787686.db2.gz VLAWABYQTPWFMC-WAYWQWQTSA-N 0 0 302.418 3.000 20 10 DGCDRN CSc1cc(C(=O)NCc2ccc(N(C)C)cc2)c(C)o1 ZINC000854271403 620790745 /nfs/dbraw/zinc/79/07/45/620790745.db2.gz FSUZWGYNDQLAEW-UHFFFAOYSA-N 0 0 304.415 3.306 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CC[C@@H]2CC2(Cl)Cl)cc1 ZINC000854271397 620790876 /nfs/dbraw/zinc/79/08/76/620790876.db2.gz FOZAXDUGVRMUAY-GFCCVEGCSA-N 0 0 315.244 3.343 20 10 DGCDRN COC(=O)COc1ccc(N(C)Cc2ccc(SC)o2)cc1 ZINC000894443559 618334845 /nfs/dbraw/zinc/33/48/45/618334845.db2.gz DJTGBYMMRXLZCN-UHFFFAOYSA-N 0 0 321.398 3.190 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CC[C@@H](OC)C1 ZINC000854374869 620799167 /nfs/dbraw/zinc/79/91/67/620799167.db2.gz ZNTSDHKCQLLJEM-GOEBONIOSA-N 0 0 305.418 3.336 20 10 DGCDRN COC(=O)c1cnc(CN(C)c2ccc(OC(C)C)cc2)s1 ZINC000894568312 618387715 /nfs/dbraw/zinc/38/77/15/618387715.db2.gz ZGTAVSJKVLNLPG-UHFFFAOYSA-N 0 0 320.414 3.353 20 10 DGCDRN CCCn1ccnc1CCC[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894779584 618455085 /nfs/dbraw/zinc/45/50/85/618455085.db2.gz IXLNNGHNAZFLKA-UHFFFAOYSA-N 0 0 323.387 3.342 20 10 DGCDRN Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894781295 618455559 /nfs/dbraw/zinc/45/55/59/618455559.db2.gz FWIGUNZCQVZKLU-AWEZNQCLSA-N 0 0 307.344 3.347 20 10 DGCDRN Cc1cc(CC(=O)NCC2=CCCOC2)c(C)n1-c1ccccc1 ZINC000854474861 620807100 /nfs/dbraw/zinc/80/71/00/620807100.db2.gz INCFOFQWXDDKMT-UHFFFAOYSA-N 0 0 324.424 3.100 20 10 DGCDRN CC[C@H](NC(=O)NCc1cccc(Cl)c1O)c1ccncc1 ZINC000893174611 618460347 /nfs/dbraw/zinc/46/03/47/618460347.db2.gz DPURTLPKLYEHKZ-AWEZNQCLSA-N 0 0 319.792 3.391 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000894885374 618488209 /nfs/dbraw/zinc/48/82/09/618488209.db2.gz BPDXNFGRTRKGGN-NUEKZKHPSA-N 0 0 311.372 3.186 20 10 DGCDRN CCc1nnc(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)s1 ZINC000894939959 618502187 /nfs/dbraw/zinc/50/21/87/618502187.db2.gz PTHBHJRZCSDXDL-ZDUSSCGKSA-N 0 0 318.490 3.196 20 10 DGCDRN CC(C)(C)c1cc2c(N3Cc4cccc(O)c4C3)nccn2n1 ZINC000894991862 618507050 /nfs/dbraw/zinc/50/70/50/618507050.db2.gz SJLACVDVZVAIEH-UHFFFAOYSA-N 0 0 308.385 3.253 20 10 DGCDRN COc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC000020016962 618563668 /nfs/dbraw/zinc/56/36/68/618563668.db2.gz KULFFLDCSSMVND-UHFFFAOYSA-N 0 0 313.184 3.392 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000895326989 618595526 /nfs/dbraw/zinc/59/55/26/618595526.db2.gz KEJNBFQDHPLODY-IUCAKERBSA-N 0 0 300.171 3.136 20 10 DGCDRN C[C@H]([NH2+]C[C@@]1(C(F)(F)F)CCCN1)c1cc(F)cc(F)c1[O-] ZINC000925856025 618646748 /nfs/dbraw/zinc/64/67/48/618646748.db2.gz PUKKWDVVNCSFOR-ISVAXAHUSA-N 0 0 324.293 3.006 20 10 DGCDRN Cc1cc(Cl)cc(CNCc2nnc(C3CC3)s2)c1O ZINC000840973528 618648794 /nfs/dbraw/zinc/64/87/94/618648794.db2.gz OIQUUVPBFPWPCN-UHFFFAOYSA-N 0 0 309.822 3.373 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccc3c(c2)COC3)cc1 ZINC000147121628 618651789 /nfs/dbraw/zinc/65/17/89/618651789.db2.gz MFZAFDMICNPXBD-UHFFFAOYSA-N 0 0 324.424 3.493 20 10 DGCDRN COc1cc(C)cc(CN2CCC[C@H]2C(=O)OC(C)(C)C)c1O ZINC000894003013 618692811 /nfs/dbraw/zinc/69/28/11/618692811.db2.gz CAFBNAJAGPNTPV-AWEZNQCLSA-N 0 0 321.417 3.015 20 10 DGCDRN COc1cc(C)cc(CNc2cc(OC)c(OC)cc2F)c1O ZINC000894115111 618713468 /nfs/dbraw/zinc/71/34/68/618713468.db2.gz IUDMGKPRGZSSQM-UHFFFAOYSA-N 0 0 321.348 3.478 20 10 DGCDRN COc1cc(C)cc(CNc2ccc(N(C)C(C)=O)cc2)c1O ZINC000894115755 618713907 /nfs/dbraw/zinc/71/39/07/618713907.db2.gz CAZRNIIGMSJLDZ-UHFFFAOYSA-N 0 0 314.385 3.304 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)NC[C@@H]1CCCCS1 ZINC000894128906 618716610 /nfs/dbraw/zinc/71/66/10/618716610.db2.gz KGLKUMKUJQKEHM-NSHDSACASA-N 0 0 314.838 3.131 20 10 DGCDRN CCn1nc(C)c(C[N@H+](C)Cc2cc(F)cc(F)c2[O-])c1C ZINC000895417008 618781513 /nfs/dbraw/zinc/78/15/13/618781513.db2.gz LFYFDRBJUZKQMO-UHFFFAOYSA-N 0 0 309.360 3.136 20 10 DGCDRN COc1cc(Br)cc(CN2CC[C@H]2C(F)F)c1O ZINC000895434964 618782864 /nfs/dbraw/zinc/78/28/64/618782864.db2.gz FIOIXZLYXAFWLT-VIFPVBQESA-N 0 0 322.149 3.003 20 10 DGCDRN CCO[C@@H]1C[C@H](NC(=O)Nc2ccc(N)cc2)C12CCCC2 ZINC000841299497 618790868 /nfs/dbraw/zinc/79/08/68/618790868.db2.gz HQWKCDQXXMWVCH-LSDHHAIUSA-N 0 0 303.406 3.128 20 10 DGCDRN C[C@H](CNC(=O)NCc1cccc(Cl)c1O)CC(F)F ZINC000895492860 618791124 /nfs/dbraw/zinc/79/11/24/618791124.db2.gz GZLUZXOFICVHHA-QMMMGPOBSA-N 0 0 306.740 3.136 20 10 DGCDRN Nc1ccc(NC(=O)N(CCC(F)(F)F)CC2CC2)cc1 ZINC000841300522 618794741 /nfs/dbraw/zinc/79/47/41/618794741.db2.gz SIXKJEDYFPGMMX-UHFFFAOYSA-N 0 0 301.312 3.465 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@H](CF)C2)c1 ZINC000895573619 618800491 /nfs/dbraw/zinc/80/04/91/618800491.db2.gz QCWDVTLWTBXXGX-SNVBAGLBSA-N 0 0 302.187 3.255 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])[C@H]1CCCOC1 ZINC000895661346 618813627 /nfs/dbraw/zinc/81/36/27/618813627.db2.gz ABKAPFGPFANIIG-IINYFYTJSA-N 0 0 301.789 3.480 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCCOC1 ZINC000895661347 618813849 /nfs/dbraw/zinc/81/38/49/618813849.db2.gz ABKAPFGPFANIIG-QMTHXVAHSA-N 0 0 301.789 3.480 20 10 DGCDRN FC(F)c1noc(CNCc2ccc(N3CCCCC3)cc2)n1 ZINC000895728122 618824012 /nfs/dbraw/zinc/82/40/12/618824012.db2.gz GFUCIJWYWODCDL-UHFFFAOYSA-N 0 0 322.359 3.287 20 10 DGCDRN CCC1([NH+]2CCC2)CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000895828517 618835826 /nfs/dbraw/zinc/83/58/26/618835826.db2.gz VYKASSPDNICHJV-UHFFFAOYSA-N 0 0 308.853 3.496 20 10 DGCDRN CCSC1(CNC(=O)NCc2cccc(Cl)c2O)CC1 ZINC000895839503 618836951 /nfs/dbraw/zinc/83/69/51/618836951.db2.gz HVJMMDRKISRFCE-UHFFFAOYSA-N 0 0 314.838 3.131 20 10 DGCDRN Fc1cc(CNc2cncc(Cl)c2)ccc1N1CCOCC1 ZINC000895878506 618843587 /nfs/dbraw/zinc/84/35/87/618843587.db2.gz BBWVCADQWITBIK-UHFFFAOYSA-N 0 0 321.783 3.323 20 10 DGCDRN CC(C)(C)CC(=O)N1CCC([NH2+]Cc2c([O-])cccc2F)CC1 ZINC000896637520 618939679 /nfs/dbraw/zinc/93/96/79/618939679.db2.gz OEWQDMWSFLJWET-UHFFFAOYSA-N 0 0 322.424 3.048 20 10 DGCDRN COc1cc2c(cc1C[NH2+]Cc1c([O-])cccc1F)O[C@H](C)C2 ZINC000896639239 618939986 /nfs/dbraw/zinc/93/99/86/618939986.db2.gz BJPOXHQALNVRAI-LLVKDONJSA-N 0 0 317.360 3.153 20 10 DGCDRN C[C@@H]1Cc2cc(C[NH2+]Cc3ccc(F)c(F)c3[O-])ccc2O1 ZINC000896824839 618965889 /nfs/dbraw/zinc/96/58/89/618965889.db2.gz LSNYYSMZPZSBIR-SNVBAGLBSA-N 0 0 305.324 3.284 20 10 DGCDRN Cc1csc(C[C@H]2CC[N@H+](Cc3ccc(F)c(F)c3[O-])C2)n1 ZINC000897301525 619049092 /nfs/dbraw/zinc/04/90/92/619049092.db2.gz LROZVLBPQJFPJK-LLVKDONJSA-N 0 0 324.396 3.500 20 10 DGCDRN Cc1csc(C[C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3[O-])C2)n1 ZINC000897301526 619049355 /nfs/dbraw/zinc/04/93/55/619049355.db2.gz LROZVLBPQJFPJK-NSHDSACASA-N 0 0 324.396 3.500 20 10 DGCDRN CCSCCCNC(=O)NCc1ccc(N(C)C)cc1C ZINC000800000669 619119762 /nfs/dbraw/zinc/11/97/62/619119762.db2.gz HLUWPBNAMPTDOL-UHFFFAOYSA-N 0 0 309.479 3.003 20 10 DGCDRN C[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1ccc(Cl)cc1[O-] ZINC000841746288 619136468 /nfs/dbraw/zinc/13/64/68/619136468.db2.gz XSDYRTXSMGFUAV-GFCCVEGCSA-N 0 0 310.825 3.099 20 10 DGCDRN C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)S2)c1ccccc1O ZINC000897685814 619173700 /nfs/dbraw/zinc/17/37/00/619173700.db2.gz UMGIPCJACGKFPW-ODWCKFRGSA-N 0 0 306.431 3.179 20 10 DGCDRN O=C(N[C@@H]1CCCC1(F)F)c1cc2cc(O)c(O)cc2s1 ZINC000897770816 619178416 /nfs/dbraw/zinc/17/84/16/619178416.db2.gz NPFXHJNIFOSRFN-GFCCVEGCSA-N 0 0 313.325 3.230 20 10 DGCDRN CC(C)(C)c1ncc(C[NH2+]Cc2cccc(Cl)c2[O-])cn1 ZINC000898218201 619222411 /nfs/dbraw/zinc/22/24/11/619222411.db2.gz APZVIYJGFNVITC-UHFFFAOYSA-N 0 0 305.809 3.423 20 10 DGCDRN COc1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])c(O)c1OC ZINC000898216435 619222441 /nfs/dbraw/zinc/22/24/41/619222441.db2.gz XJJCUXJNANZEJD-UHFFFAOYSA-N 0 0 323.776 3.058 20 10 DGCDRN CCOc1ccc(NC(=O)NCCc2ccc(N)cc2)c(C)c1 ZINC000841067283 619264155 /nfs/dbraw/zinc/26/41/55/619264155.db2.gz MTXSRCKKFIFLPX-UHFFFAOYSA-N 0 0 313.401 3.340 20 10 DGCDRN COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000898484291 619278382 /nfs/dbraw/zinc/27/83/82/619278382.db2.gz SKTPVAPKZHYJPT-ZJUUUORDSA-N 0 0 315.772 3.006 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@H](c1ccncc1)C1CC1 ZINC000899019718 619307898 /nfs/dbraw/zinc/30/78/98/619307898.db2.gz LVCMSMYOTJZJBC-KRWDZBQOSA-N 0 0 311.385 3.080 20 10 DGCDRN O=C(NCC[C@@H]1CCCS1)c1cc2cc(O)c(O)cc2s1 ZINC000899168650 619316061 /nfs/dbraw/zinc/31/60/61/619316061.db2.gz DVNSTHASLBNPET-JTQLQIEISA-N 0 0 323.439 3.328 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NCC[C@H]2CCCC2(F)F)cc1 ZINC000899203402 619318485 /nfs/dbraw/zinc/31/84/85/619318485.db2.gz MHTGBKLHOSISCN-LLVKDONJSA-N 0 0 324.331 3.404 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N(CC(F)F)C2CCC2)cc1 ZINC000899785083 619371243 /nfs/dbraw/zinc/37/12/43/619371243.db2.gz QOKCZZCXARMFFJ-UHFFFAOYSA-N 0 0 310.304 3.109 20 10 DGCDRN CC1(C)CCCC[C@@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000789063406 625347057 /nfs/dbraw/zinc/34/70/57/625347057.db2.gz DMZFSNMFDCBGIA-GFCCVEGCSA-N 0 0 306.358 3.040 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)CC(F)(F)C(F)F ZINC000901051190 619469739 /nfs/dbraw/zinc/46/97/39/619469739.db2.gz AEORXUDULQKAQZ-UHFFFAOYSA-N 0 0 307.287 3.421 20 10 DGCDRN Cc1nc(C2CCC2)sc1CC(=O)NCc1ccccc1O ZINC000901125167 619473430 /nfs/dbraw/zinc/47/34/30/619473430.db2.gz TULOKRLNLHXTFA-UHFFFAOYSA-N 0 0 316.426 3.284 20 10 DGCDRN CCc1ccccc1CCn1cc(COc2ccc(N)cc2)nn1 ZINC000881354755 625351604 /nfs/dbraw/zinc/35/16/04/625351604.db2.gz ZAVFVDISIZSLGM-UHFFFAOYSA-N 0 0 322.412 3.244 20 10 DGCDRN CC(C)(C)CCS(=O)(=O)Nc1cc(F)c(O)cc1Cl ZINC000901963286 619568474 /nfs/dbraw/zinc/56/84/74/619568474.db2.gz PUBDFIUJGRCMTI-UHFFFAOYSA-N 0 0 309.790 3.363 20 10 DGCDRN CCCN(CCC)c1ccc(CNc2cnc(CO)cn2)cc1 ZINC000902219001 619603429 /nfs/dbraw/zinc/60/34/29/619603429.db2.gz VCJBYUVHLIFYNP-UHFFFAOYSA-N 0 0 314.433 3.207 20 10 DGCDRN c1cc(N2CCOCC2)ccc1CNc1noc2c1CCCC2 ZINC000902284673 619611247 /nfs/dbraw/zinc/61/12/47/619611247.db2.gz ATRGAPIQDIILCB-UHFFFAOYSA-N 0 0 313.401 3.002 20 10 DGCDRN C[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(Cl)c(Cl)c1[O-] ZINC000902478407 619638726 /nfs/dbraw/zinc/63/87/26/619638726.db2.gz WMMMXWPBOXYUQX-IZLWQMGWSA-N 0 0 301.217 3.243 20 10 DGCDRN C[C@@H]([NH2+]Cc1csc(N)n1)c1cccc(C(F)(F)F)c1[O-] ZINC000902498347 619643735 /nfs/dbraw/zinc/64/37/35/619643735.db2.gz FABWBFLADZCZCN-SSDOTTSWSA-N 0 0 317.336 3.301 20 10 DGCDRN CC(C)OCc1noc(COc2ccc(N3CCCC3)cc2)n1 ZINC000902717221 619665258 /nfs/dbraw/zinc/66/52/58/619665258.db2.gz NFFPKJGIVDEKRD-UHFFFAOYSA-N 0 0 317.389 3.174 20 10 DGCDRN Cc1cc(CN[C@@H](C)c2cn(C)nn2)c(C)n1-c1ccccc1 ZINC000903068982 619714668 /nfs/dbraw/zinc/71/46/68/619714668.db2.gz AOPMILBQPOIEMA-AWEZNQCLSA-N 0 0 309.417 3.073 20 10 DGCDRN C[C@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CC1)c1c([O-])cccc1F ZINC000903238109 619742283 /nfs/dbraw/zinc/74/22/83/619742283.db2.gz DWJRNXIRLKEGAJ-NSHDSACASA-N 0 0 324.396 3.239 20 10 DGCDRN C[C@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1ccc(F)cc1[O-] ZINC000903240553 619742967 /nfs/dbraw/zinc/74/29/67/619742967.db2.gz UEOYFGODNYMADU-LBPRGKRZSA-N 0 0 303.381 3.379 20 10 DGCDRN CC(C)(C(=O)N1Cc2cccc(O)c2C1)c1ccc(F)cc1F ZINC000881428506 625368276 /nfs/dbraw/zinc/36/82/76/625368276.db2.gz GVAJBAKLBSPIAZ-UHFFFAOYSA-N 0 0 317.335 3.490 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000903299895 619753468 /nfs/dbraw/zinc/75/34/68/619753468.db2.gz CTQDKSWZJALULI-YGOYTEALSA-N 0 0 303.233 3.442 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1C)c1cccc(C(F)(F)F)c1[O-] ZINC000903301269 619753802 /nfs/dbraw/zinc/75/38/02/619753802.db2.gz PETLODFUGRKBOU-OUJBWJOFSA-N 0 0 302.340 3.154 20 10 DGCDRN C[C@@H]([NH2+][C@H](CO)CCc1ccccc1)c1ccc(F)cc1[O-] ZINC000903289497 619754748 /nfs/dbraw/zinc/75/47/48/619754748.db2.gz KODBRKXWDVFGEG-CJNGLKHVSA-N 0 0 303.377 3.176 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H]1CCN1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000903316240 619758784 /nfs/dbraw/zinc/75/87/84/619758784.db2.gz BSXMSOUKWGREEP-CABZTGNLSA-N 0 0 303.233 3.444 20 10 DGCDRN CC[C@H]([NH2+]CCOC1CCSCC1)c1ccc(F)cc1[O-] ZINC000903444413 619777880 /nfs/dbraw/zinc/77/78/80/619777880.db2.gz ANPSJUBFKXFSLE-HNNXBMFYSA-N 0 0 313.438 3.484 20 10 DGCDRN Cn1cnc(/C=C/C(=O)N(CC2CCCCC2)c2ccccn2)c1 ZINC000904030079 619860744 /nfs/dbraw/zinc/86/07/44/619860744.db2.gz ODXMNRICIQGXHU-ZHACJKMWSA-N 0 0 324.428 3.442 20 10 DGCDRN CC(=O)c1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1C ZINC000905319233 619986863 /nfs/dbraw/zinc/98/68/63/619986863.db2.gz XGASCDJYAGOMQF-UHFFFAOYSA-N 0 0 310.397 3.194 20 10 DGCDRN CCCOc1ccccc1NC[C@H](O)C[C@@H](O)c1ccccc1 ZINC000905301342 619988220 /nfs/dbraw/zinc/98/82/20/619988220.db2.gz PDWILGDLWJAKEB-SJLPKXTDSA-N 0 0 315.413 3.372 20 10 DGCDRN Fc1cc(CNc2cc(Cl)ccn2)ccc1N1CCOCC1 ZINC000905414869 619995980 /nfs/dbraw/zinc/99/59/80/619995980.db2.gz OWVPIESHKRPKIO-UHFFFAOYSA-N 0 0 321.783 3.323 20 10 DGCDRN CSc1cncc(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000905415314 619995997 /nfs/dbraw/zinc/99/59/97/619995997.db2.gz YNCDXRORMCYIJP-UHFFFAOYSA-N 0 0 315.442 3.252 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)[C@H]1CCCO1 ZINC000906345776 620088375 /nfs/dbraw/zinc/08/83/75/620088375.db2.gz VUTQNHKIRXAIRH-MAUKXSAKSA-N 0 0 318.461 3.305 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cnc2cccc(C)n12 ZINC000906994476 620132433 /nfs/dbraw/zinc/13/24/33/620132433.db2.gz SUNNSKDSSQEGTL-UHFFFAOYSA-N 0 0 323.396 3.401 20 10 DGCDRN COc1ccc2c(c1)CCCN2CC(=O)N(C)c1ccccc1 ZINC000027578374 620228360 /nfs/dbraw/zinc/22/83/60/620228360.db2.gz RUMSCQWSKAGEAW-UHFFFAOYSA-N 0 0 310.397 3.111 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000910950297 620318674 /nfs/dbraw/zinc/31/86/74/620318674.db2.gz VXRATIOQOROMNZ-BFHYXJOUSA-N 0 0 303.402 3.321 20 10 DGCDRN C[C@@H](CCc1ccc(F)cc1)C(=O)NCc1ccc(O)cc1O ZINC000910958157 620318828 /nfs/dbraw/zinc/31/88/28/620318828.db2.gz XOPRAACUDXLDFQ-LBPRGKRZSA-N 0 0 317.360 3.122 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1coc(C2CCCCC2)n1 ZINC000910948105 620319855 /nfs/dbraw/zinc/31/98/55/620319855.db2.gz UGFGDARCNHNAFA-UHFFFAOYSA-N 0 0 316.357 3.064 20 10 DGCDRN C/C(=C/C1CCC(C)CC1)C(=O)NCc1ccc(O)cc1O ZINC000910945744 620319892 /nfs/dbraw/zinc/31/98/92/620319892.db2.gz XFYACLONHQGMNN-LCYFTJDESA-N 0 0 303.402 3.487 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)/C(F)=C(/C)C3CC3)C2)cc1 ZINC000912292892 620377335 /nfs/dbraw/zinc/37/73/35/620377335.db2.gz PYABIVVKOSHNDS-IQGJIOQQSA-N 0 0 318.392 3.044 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)Nc2cc(F)ccc2F)cc1 ZINC000150735190 620390158 /nfs/dbraw/zinc/39/01/58/620390158.db2.gz WUOPYGCVJCEDHH-UHFFFAOYSA-N 0 0 320.339 3.438 20 10 DGCDRN Cc1cc(C(=O)N=S(C)(C)=O)c(C)n1-c1ccccc1C ZINC000913646863 620466849 /nfs/dbraw/zinc/46/68/49/620466849.db2.gz REPBMHFLGLOJDP-UHFFFAOYSA-N 0 0 304.415 3.270 20 10 DGCDRN Cc1ccccc1C1=NO[C@H](C(=O)N[C@@H](C)c2ccccc2O)C1 ZINC000913763971 620478008 /nfs/dbraw/zinc/47/80/08/620478008.db2.gz XJDUQKQHVPHYHK-UGSOOPFHSA-N 0 0 324.380 3.071 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CCCc3cccnc32)cc1 ZINC000913927125 620493657 /nfs/dbraw/zinc/49/36/57/620493657.db2.gz VNZYYZNVJHCARR-QGZVFWFLSA-N 0 0 324.428 3.024 20 10 DGCDRN C[C@H](Cc1cccs1)NC(=O)NCc1c(O)cccc1F ZINC000914105001 620505149 /nfs/dbraw/zinc/50/51/49/620505149.db2.gz QKSJIFCQHCHDHK-SNVBAGLBSA-N 0 0 308.378 3.023 20 10 DGCDRN Cc1ccccc1CCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000031727233 620528974 /nfs/dbraw/zinc/52/89/74/620528974.db2.gz RNLOCXNTGZSWPY-UHFFFAOYSA-N 0 0 311.429 3.103 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000914433242 620533972 /nfs/dbraw/zinc/53/39/72/620533972.db2.gz MKPJQNZZJUSCJD-AAEUAGOBSA-N 0 0 302.201 3.214 20 10 DGCDRN C[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)[C@H]1C ZINC000914689174 620548530 /nfs/dbraw/zinc/54/85/30/620548530.db2.gz LEYVNGKTDBIMFJ-JKIFEVAISA-N 0 0 303.450 3.377 20 10 DGCDRN CC(=O)Nc1ccc(NC(=S)NNc2ccccc2F)cc1 ZINC000915121492 620568383 /nfs/dbraw/zinc/56/83/83/620568383.db2.gz WGFBNLBXYVFZBI-UHFFFAOYSA-N 0 0 318.377 3.098 20 10 DGCDRN Cc1n[nH]c(C)c1/C=C1\SC(=S)N(c2ccccc2)C1=O ZINC000915983459 620611228 /nfs/dbraw/zinc/61/12/28/620611228.db2.gz GAQDRWXFWNHKEZ-JYRVWZFOSA-N 0 0 315.423 3.432 20 10 DGCDRN O=S(=O)(/C=C/c1ccc(Cl)cc1)Nc1ccc(O)cc1 ZINC000916106469 620617421 /nfs/dbraw/zinc/61/74/21/620617421.db2.gz LUTFIJDHXGQEPB-MDZDMXLPSA-N 0 0 309.774 3.458 20 10 DGCDRN CCCOCC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000920878758 620826566 /nfs/dbraw/zinc/82/65/66/620826566.db2.gz KCDVNNHPLNXLSD-UHFFFAOYSA-N 0 0 314.429 3.179 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1C[C@@H]2CCCCN2c2ccccc21 ZINC000854665985 620827510 /nfs/dbraw/zinc/82/75/10/620827510.db2.gz KNBVXBFXSRYBND-LBPRGKRZSA-N 0 0 314.410 3.473 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000855020045 620863169 /nfs/dbraw/zinc/86/31/69/620863169.db2.gz FDDOXVOLFODBCC-BMGDILEWSA-N 0 0 316.445 3.026 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N(C)Cc1c[nH]cn1 ZINC000855134047 620873250 /nfs/dbraw/zinc/87/32/50/620873250.db2.gz AODGTKNHKNAGCN-UHFFFAOYSA-N 0 0 322.412 3.398 20 10 DGCDRN CC[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855224311 620881955 /nfs/dbraw/zinc/88/19/55/620881955.db2.gz FGXXPOGZQCDWGM-RKVPGOIHSA-N 0 0 316.445 3.216 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)C[C@@H]3C=CCCC3)C2)cc1 ZINC000855228197 620882130 /nfs/dbraw/zinc/88/21/30/620882130.db2.gz XFIKLFSTHOXMPC-HZPDHXFCSA-N 0 0 314.429 3.137 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)C[C@H]3C=CCCC3)C2)cc1 ZINC000855228196 620882270 /nfs/dbraw/zinc/88/22/70/620882270.db2.gz XFIKLFSTHOXMPC-HOTGVXAUSA-N 0 0 314.429 3.137 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)[C@H](C)CC(C)C)C2)cc1 ZINC000855228313 620882322 /nfs/dbraw/zinc/88/23/22/620882322.db2.gz ZMWYXONZXRFUHG-CABCVRRESA-N 0 0 304.434 3.072 20 10 DGCDRN CCc1ccccc1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855233518 620882395 /nfs/dbraw/zinc/88/23/95/620882395.db2.gz IBHYBUSTCHOZBH-MRXNPFEDSA-N 0 0 324.424 3.266 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)CC(C)C)C2)cc1 ZINC000855228314 620882400 /nfs/dbraw/zinc/88/24/00/620882400.db2.gz ZMWYXONZXRFUHG-GJZGRUSLSA-N 0 0 304.434 3.072 20 10 DGCDRN CCC/C(C)=C/C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855228901 620882501 /nfs/dbraw/zinc/88/25/01/620882501.db2.gz FVHAEMWPLWZTGF-OKFGHLOFSA-N 0 0 302.418 3.137 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)C(F)=C3CCCC3)C2)cc1 ZINC000855233890 620882840 /nfs/dbraw/zinc/88/28/40/620882840.db2.gz OQUGRQMQXQESOT-AWEZNQCLSA-N 0 0 318.392 3.188 20 10 DGCDRN C[C@@H]([NH2+]CCc1cn(C)cn1)c1cccc(C(F)(F)F)c1[O-] ZINC000840764555 620883940 /nfs/dbraw/zinc/88/39/40/620883940.db2.gz VBOLWQRHXOMTES-SNVBAGLBSA-N 0 0 313.323 3.038 20 10 DGCDRN CCn1ccc(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)n1 ZINC000855561051 620913326 /nfs/dbraw/zinc/91/33/26/620913326.db2.gz QWXXFPVPMGLKJY-UHFFFAOYSA-N 0 0 322.412 3.492 20 10 DGCDRN CC[C@H](NC(=O)NCc1c(O)cccc1F)c1c(C)noc1C ZINC000921672079 620930825 /nfs/dbraw/zinc/93/08/25/620930825.db2.gz ROWVGVYLEWDSCP-ZDUSSCGKSA-N 0 0 321.352 3.087 20 10 DGCDRN CC(C)(C)c1nnc(CNCc2ccc3c(c2)CCCO3)s1 ZINC000921840176 620960024 /nfs/dbraw/zinc/96/00/24/620960024.db2.gz YGJPHZOLNGRYGW-UHFFFAOYSA-N 0 0 317.458 3.450 20 10 DGCDRN Cc1cc(C(=O)NC2([C@@H](C)O)CC2)c(C)n1-c1ccccc1C ZINC000856130630 620963737 /nfs/dbraw/zinc/96/37/37/620963737.db2.gz GUNYVJAEBJSFEN-OAHLLOKOSA-N 0 0 312.413 3.046 20 10 DGCDRN CC(C)c1nnc([C@@H](C)NCc2ccc3c(c2)CCCO3)[nH]1 ZINC000921945861 620971561 /nfs/dbraw/zinc/97/15/61/620971561.db2.gz KORJKTKPXHGIQQ-GFCCVEGCSA-N 0 0 300.406 3.104 20 10 DGCDRN CCc1onc(C)c1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000922134599 620993301 /nfs/dbraw/zinc/99/33/01/620993301.db2.gz IQNDHAYSOMVRNP-UHFFFAOYSA-N 0 0 319.380 3.133 20 10 DGCDRN O=C(NCCCSc1nccs1)c1cccnc1Cl ZINC000114376014 621003553 /nfs/dbraw/zinc/00/35/53/621003553.db2.gz LQDIEWVPBQEHNY-UHFFFAOYSA-N 0 0 313.835 3.104 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2cc3ccccc3nc2C)c1 ZINC000114542147 621009136 /nfs/dbraw/zinc/00/91/36/621009136.db2.gz XVFIBEAKLMBQHJ-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN COc1ccc(O)c(CNC(=O)C[C@@H](C)c2ccccc2F)c1 ZINC000114541410 621009211 /nfs/dbraw/zinc/00/92/11/621009211.db2.gz YGLQKFXOGIBZOW-GFCCVEGCSA-N 0 0 317.360 3.350 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2csc3c2CCCC3)c1 ZINC000114543809 621009814 /nfs/dbraw/zinc/00/98/14/621009814.db2.gz RLRXIWZXAZBGEO-UHFFFAOYSA-N 0 0 317.410 3.271 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2ccc(C)c(C)c2)c1 ZINC000114564494 621015556 /nfs/dbraw/zinc/01/55/56/621015556.db2.gz QPGYYLGICRTFIM-UHFFFAOYSA-N 0 0 300.358 3.339 20 10 DGCDRN C[C@@H](NC(=O)N1CC(CC2CC2)C1)c1ccc(N(C)C)cc1 ZINC000856886656 621031423 /nfs/dbraw/zinc/03/14/23/621031423.db2.gz OYACSSSXRRTKHU-CYBMUJFWSA-N 0 0 301.434 3.255 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1CC(C)C1 ZINC000856961614 621038204 /nfs/dbraw/zinc/03/82/04/621038204.db2.gz MMKHDRLBJHFLFD-UHFFFAOYSA-N 0 0 303.450 3.330 20 10 DGCDRN CN(C)c1ccc(/C=C\C[NH2+]Cc2cc(N(C)C)ccn2)cc1 ZINC000922479926 621044258 /nfs/dbraw/zinc/04/42/58/621044258.db2.gz SRXOECQDNQAJOT-WAYWQWQTSA-N 0 0 310.445 3.017 20 10 DGCDRN CCOc1cccc(CN[C@H]2c3ccccc3OC[C@H]2F)c1O ZINC000922523992 621050763 /nfs/dbraw/zinc/05/07/63/621050763.db2.gz ANUJINWNGPLOGA-PBHICJAKSA-N 0 0 317.360 3.352 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1c(Cl)cnn1CC ZINC000857098141 621058071 /nfs/dbraw/zinc/05/80/71/621058071.db2.gz AKSJFRIEULXTCN-UHFFFAOYSA-N 0 0 321.808 3.314 20 10 DGCDRN CCCN(CCC)c1ccc(CN[C@H](C)c2cn(C)nn2)cc1 ZINC000922636926 621071299 /nfs/dbraw/zinc/07/12/99/621071299.db2.gz WHLCFLATJMLZJV-OAHLLOKOSA-N 0 0 315.465 3.292 20 10 DGCDRN COc1ccc(NC(=O)NCCCSc2nccs2)cc1 ZINC000115171226 621087517 /nfs/dbraw/zinc/08/75/17/621087517.db2.gz MKGRDNGNUMUHNR-UHFFFAOYSA-N 0 0 323.443 3.456 20 10 DGCDRN COc1ccc(F)cc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000115281062 621094685 /nfs/dbraw/zinc/09/46/85/621094685.db2.gz VSMSFRMTPDFBLS-UHFFFAOYSA-N 0 0 316.376 3.139 20 10 DGCDRN COc1cc(C(=O)NCc2cc(Cl)ccc2O)ccc1C ZINC000857547760 621094908 /nfs/dbraw/zinc/09/49/08/621094908.db2.gz SIQSATUQVAMTEF-UHFFFAOYSA-N 0 0 305.761 3.293 20 10 DGCDRN COc1cc(C(=O)NCc2cc(Cl)ccc2O)ccc1F ZINC000857547756 621095031 /nfs/dbraw/zinc/09/50/31/621095031.db2.gz SEHPLDXLZOVNNS-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1ccc2c(n1)CCCC2 ZINC000857547851 621095256 /nfs/dbraw/zinc/09/52/56/621095256.db2.gz WZAHZFHVKCLPHN-UHFFFAOYSA-N 0 0 316.788 3.249 20 10 DGCDRN Cc1ccc(OCC(=O)NCc2cc(Cl)ccc2O)c(C)c1 ZINC000857547836 621095554 /nfs/dbraw/zinc/09/55/54/621095554.db2.gz WGQCXPFSVLRLFY-UHFFFAOYSA-N 0 0 319.788 3.358 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc(F)c(C)c1 ZINC000857708732 621115245 /nfs/dbraw/zinc/11/52/45/621115245.db2.gz WGRGAKHPJLITIL-UHFFFAOYSA-N 0 0 315.392 3.257 20 10 DGCDRN OC[C@H]([NH2+]Cc1ccccc1O)c1ccccc1C(F)(F)F ZINC000922984534 621142366 /nfs/dbraw/zinc/14/23/66/621142366.db2.gz LZSZQGWUKUARNH-AWEZNQCLSA-N 0 0 311.303 3.234 20 10 DGCDRN CC[C@H](C)NC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC000858090464 621151585 /nfs/dbraw/zinc/15/15/85/621151585.db2.gz HENHIKGAZKNXMI-ZDUSSCGKSA-N 0 0 312.413 3.364 20 10 DGCDRN CN(C)c1cc(F)c(CNc2cccc3c2OCCO3)cc1F ZINC000858104273 621153189 /nfs/dbraw/zinc/15/31/89/621153189.db2.gz FDUJBDYJDFEQIZ-UHFFFAOYSA-N 0 0 320.339 3.414 20 10 DGCDRN CN(C)c1cc(F)c(CNc2ccc(CCO)cc2)cc1F ZINC000858149648 621158753 /nfs/dbraw/zinc/15/87/53/621158753.db2.gz QPVXHPKJSAULBM-UHFFFAOYSA-N 0 0 306.356 3.178 20 10 DGCDRN COC[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1ccco1 ZINC000858148512 621158934 /nfs/dbraw/zinc/15/89/34/621158934.db2.gz ZXJGPXPAGYGREG-CQSZACIVSA-N 0 0 310.344 3.101 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@H]2c2cccc(F)c2)c1 ZINC000858162195 621160362 /nfs/dbraw/zinc/16/03/62/621160362.db2.gz RTYOMQXJFXYNCM-HOTGVXAUSA-N 0 0 314.360 3.195 20 10 DGCDRN CCn1ccnc1[C@H](C)NCc1c(O)cccc1Br ZINC000858172118 621160869 /nfs/dbraw/zinc/16/08/69/621160869.db2.gz KLCYEDFOSUWJSG-JTQLQIEISA-N 0 0 324.222 3.222 20 10 DGCDRN Cc1csc([C@H](C)NC(=O)NCc2cc(C)ccc2O)n1 ZINC000858182503 621162043 /nfs/dbraw/zinc/16/20/43/621162043.db2.gz WEHBJTHZWUTRHY-NSHDSACASA-N 0 0 305.403 3.026 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc1 ZINC000858199931 621164077 /nfs/dbraw/zinc/16/40/77/621164077.db2.gz UWVGSGISPNPMIB-HSALFYBXSA-N 0 0 320.436 3.297 20 10 DGCDRN CC(C)c1nocc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000858199342 621164178 /nfs/dbraw/zinc/16/41/78/621164178.db2.gz IXVUDCIIDVTSPG-UHFFFAOYSA-N 0 0 301.390 3.136 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)c1 ZINC000858249283 621168404 /nfs/dbraw/zinc/16/84/04/621168404.db2.gz NNGNKGHNCBBZNK-DOTOQJQBSA-N 0 0 310.397 3.131 20 10 DGCDRN Cc1cnc([C@H](C)NC(=O)NCc2cc(C)ccc2O)s1 ZINC000858270984 621170823 /nfs/dbraw/zinc/17/08/23/621170823.db2.gz SLROIBXJSQTKFT-NSHDSACASA-N 0 0 305.403 3.026 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCCc2ccc(F)cc2C)c1 ZINC000858289618 621172499 /nfs/dbraw/zinc/17/24/99/621172499.db2.gz OTTABJZWALFCRT-UHFFFAOYSA-N 0 0 316.376 3.190 20 10 DGCDRN COCCOCc1ccc(NCc2cc(C)ccc2O)cc1 ZINC000858298182 621172912 /nfs/dbraw/zinc/17/29/12/621172912.db2.gz NZHNYOAUGSBYMW-UHFFFAOYSA-N 0 0 301.386 3.476 20 10 DGCDRN CCC[C@@H](C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-])OCC ZINC000858450691 621192728 /nfs/dbraw/zinc/19/27/28/621192728.db2.gz HOISJGDTOXDDGY-JSGCOSHPSA-N 0 0 309.406 3.035 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H]2CCC[C@H]2C2CC2)c1 ZINC000858537118 621202721 /nfs/dbraw/zinc/20/27/21/621202721.db2.gz MNUHMHNGXMUHKN-HOCLYGCPSA-N 0 0 302.418 3.326 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N3CCC[C@](C)(F)C3)ccc21 ZINC000838032041 621203459 /nfs/dbraw/zinc/20/34/59/621203459.db2.gz VMRRWOHDJPCILE-SFHVURJKSA-N 0 0 319.424 3.103 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@@]2(F)c2ccccc2)c1 ZINC000858554809 621204548 /nfs/dbraw/zinc/20/45/48/621204548.db2.gz SPKHOKHMPDIPAV-SJLPKXTDSA-N 0 0 314.360 3.137 20 10 DGCDRN CO[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])C1 ZINC000858584103 621207122 /nfs/dbraw/zinc/20/71/22/621207122.db2.gz MFVVBBJIJWFBHV-CIUDSAMLSA-N 0 0 318.186 3.122 20 10 DGCDRN CO[C@H]1C[C@H]([NH2+][C@H](C)c2cc(Br)cc(F)c2[O-])C1 ZINC000858584292 621207174 /nfs/dbraw/zinc/20/71/74/621207174.db2.gz PIRFYVHPSTWNBJ-SZEHBUNVSA-N 0 0 318.186 3.122 20 10 DGCDRN CC[C@@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1cccc(Cl)c1[O-] ZINC000858602852 621208866 /nfs/dbraw/zinc/20/88/66/621208866.db2.gz KFHLDLCKZWWOCD-CABCVRRESA-N 0 0 322.836 3.240 20 10 DGCDRN CO[C@@H](CNC(=O)NCc1cc(C)ccc1O)C1CCCCC1 ZINC000858623576 621210666 /nfs/dbraw/zinc/21/06/66/621210666.db2.gz WJYXRSLAEKZBAY-KRWDZBQOSA-N 0 0 320.433 3.095 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCC[C@H]2CC2(Cl)Cl)c1 ZINC000858629731 621210971 /nfs/dbraw/zinc/21/09/71/621210971.db2.gz XRSULWSAYGCYRY-NSHDSACASA-N 0 0 317.216 3.084 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@H]2c2ccsc2)cc1 ZINC000858865690 621226982 /nfs/dbraw/zinc/22/69/82/621226982.db2.gz MEVBBCHGONLRAR-JKSUJKDBSA-N 0 0 315.442 3.169 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H]2c2ccsc2)c1 ZINC000858862613 621227035 /nfs/dbraw/zinc/22/70/35/621227035.db2.gz LVXLRLGTFACOSR-UONOGXRCSA-N 0 0 302.399 3.117 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)OCCC(C)C)CC2)cc1 ZINC000858934724 621233140 /nfs/dbraw/zinc/23/31/40/621233140.db2.gz YKEREQHMLOVVQO-UHFFFAOYSA-N 0 0 320.433 3.436 20 10 DGCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)[C@H]1C ZINC000838375180 621239267 /nfs/dbraw/zinc/23/92/67/621239267.db2.gz DBEQUIONOBDHIP-CVEARBPZSA-N 0 0 315.461 3.473 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CCCC23CC3)c1 ZINC000859017074 621239487 /nfs/dbraw/zinc/23/94/87/621239487.db2.gz YSPBCUOXTSEDSP-CHWSQXEVSA-N 0 0 318.417 3.341 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C)[C@H]2C)cc1F ZINC000838392315 621244473 /nfs/dbraw/zinc/24/44/73/621244473.db2.gz SWFFVXYYKUMDHJ-CHWSQXEVSA-N 0 0 307.413 3.222 20 10 DGCDRN CCN(Cc1cc(Cl)n(C)n1)c1ccc(OC)c(OC)c1 ZINC000859174860 621257118 /nfs/dbraw/zinc/25/71/18/621257118.db2.gz JCOKXJVJWWXHPP-UHFFFAOYSA-N 0 0 309.797 3.117 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NC[C@H]2CCCC2(C)C)c1 ZINC000838473725 621257969 /nfs/dbraw/zinc/25/79/69/621257969.db2.gz BHUOHPKVJXLBFO-CYBMUJFWSA-N 0 0 306.406 3.026 20 10 DGCDRN CC[C@H]1CC[C@H](NC(=O)NCc2cc(OC)ccc2O)CC1 ZINC000838474107 621258068 /nfs/dbraw/zinc/25/80/68/621258068.db2.gz FRSJOLQVDNNPSU-MQMHXKEQSA-N 0 0 306.406 3.169 20 10 DGCDRN C[C@@]1(NC(=O)NCc2ccc(N3CC=CC3)cc2)CC=CCC1 ZINC000838486770 621259041 /nfs/dbraw/zinc/25/90/41/621259041.db2.gz RZHVURJYVKLTSL-LJQANCHMSA-N 0 0 311.429 3.361 20 10 DGCDRN CC[C@@H](NC(=O)NCc1cccc(OC)c1O)C1CCCC1 ZINC000838706270 621272377 /nfs/dbraw/zinc/27/23/77/621272377.db2.gz YEXKCFWPOUYHFF-CQSZACIVSA-N 0 0 306.406 3.169 20 10 DGCDRN COc1cccc(CNC(=O)N[C@@H](C)[C@H]2CCC[C@H](C)C2)c1O ZINC000838729714 621274065 /nfs/dbraw/zinc/27/40/65/621274065.db2.gz ISSFOMMQBVQYPO-IHRRRGAJSA-N 0 0 320.433 3.415 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCC[C@H]1OCC ZINC000838725824 621274337 /nfs/dbraw/zinc/27/43/37/621274337.db2.gz PUHZBEHDRRWEOX-NVXWUHKLSA-N 0 0 320.433 3.271 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2C[C@@]2(C)C(C)C)c1 ZINC000838766088 621276411 /nfs/dbraw/zinc/27/64/11/621276411.db2.gz STCYJQAWGIEFES-KCTSRDHCSA-N 0 0 306.406 3.196 20 10 DGCDRN CCN(C)c1ccc(CN2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000859796107 621324900 /nfs/dbraw/zinc/32/49/00/621324900.db2.gz DGJCKSHYOAZECD-UHFFFAOYSA-N 0 0 322.456 3.368 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C(F)F)o2)c1 ZINC000860242698 621385733 /nfs/dbraw/zinc/38/57/33/621385733.db2.gz TVZUTMCDWQWCIZ-QMMMGPOBSA-N 0 0 311.284 3.422 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CSC[C@@H]2C)cc1 ZINC000804967335 621391301 /nfs/dbraw/zinc/39/13/01/621391301.db2.gz OJFLDSKOCWHQIS-XJKSGUPXSA-N 0 0 321.490 3.084 20 10 DGCDRN COC[C@H]1CCCN1C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000752743025 621407417 /nfs/dbraw/zinc/40/74/17/621407417.db2.gz IHBXOZHTRMYAPD-GOSISDBHSA-N 0 0 312.413 3.345 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC2CC(C)C2)cc1F ZINC000752964599 621418059 /nfs/dbraw/zinc/41/80/59/621418059.db2.gz IFTYCALRBSZESB-UHFFFAOYSA-N 0 0 307.413 3.270 20 10 DGCDRN Cc1nnccc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000753018697 621420649 /nfs/dbraw/zinc/42/06/49/621420649.db2.gz IYPOWQIAPPTLJO-UHFFFAOYSA-N 0 0 324.428 3.048 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1C[C@@H](OC)C1(C)C ZINC000753557527 621448222 /nfs/dbraw/zinc/44/82/22/621448222.db2.gz OQUBLEGSWQNDLC-JKSUJKDBSA-N 0 0 320.433 3.127 20 10 DGCDRN Cc1cncn1CC(=O)Oc1ccc2c(c1)c1c(n2C)CCCC1 ZINC000860847457 621449790 /nfs/dbraw/zinc/44/97/90/621449790.db2.gz LQIRWOJDDKCDIQ-UHFFFAOYSA-N 0 0 323.396 3.168 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H](O)CCc1ccccc1 ZINC000753596045 621452637 /nfs/dbraw/zinc/45/26/37/621452637.db2.gz QWLQTHZPHZUBAP-OAHLLOKOSA-N 0 0 323.795 3.268 20 10 DGCDRN CC(C)=C[C@@H]1[C@@H](C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)C1(C)C ZINC000753639993 621457338 /nfs/dbraw/zinc/45/73/38/621457338.db2.gz FQNAUTMKTZBKQV-MRRJBJDNSA-N 0 0 317.429 3.383 20 10 DGCDRN CCOc1ccccc1C(F)(F)C(=O)NCc1ccccc1O ZINC000753659358 621458112 /nfs/dbraw/zinc/45/81/12/621458112.db2.gz WQINWHXTEZXPEQ-UHFFFAOYSA-N 0 0 321.323 3.199 20 10 DGCDRN CC(=O)c1c(C)[nH]c(C(=O)NCc2ccccc2O)c1C(C)C ZINC000753659337 621458116 /nfs/dbraw/zinc/45/81/16/621458116.db2.gz WACJIQZSDWTEPL-UHFFFAOYSA-N 0 0 314.385 3.285 20 10 DGCDRN CCC/C(C)=C\C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000753731248 621462480 /nfs/dbraw/zinc/46/24/80/621462480.db2.gz KUADEXKOKXPIKC-OWBHPGMISA-N 0 0 320.408 3.229 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000861379122 621510580 /nfs/dbraw/zinc/51/05/80/621510580.db2.gz FYOIULATFUBXLW-REPLKXPHSA-N 0 0 322.408 3.435 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC(C)(C)C2)cc1 ZINC000861405303 621512563 /nfs/dbraw/zinc/51/25/63/621512563.db2.gz NCUCZRCDIXJQKP-UHFFFAOYSA-N 0 0 324.424 3.318 20 10 DGCDRN Cc1cc(C)cc(NC(=S)NCc2cccc(N(C)C)n2)c1 ZINC000754692980 621524815 /nfs/dbraw/zinc/52/48/15/621524815.db2.gz RLJLZEQZXUOENA-UHFFFAOYSA-N 0 0 314.458 3.251 20 10 DGCDRN Cc1ccc(NC(=S)NCc2cccc(N(C)C)n2)cc1C ZINC000754694299 621525515 /nfs/dbraw/zinc/52/55/15/621525515.db2.gz ZBUIXFHJEOPNGM-UHFFFAOYSA-N 0 0 314.458 3.251 20 10 DGCDRN Nc1ccc(CCNC(=O)NCC(C2CCC2)C2CCC2)cc1 ZINC000861640455 621530794 /nfs/dbraw/zinc/53/07/94/621530794.db2.gz LSQKJKSWZCXESY-UHFFFAOYSA-N 0 0 315.461 3.327 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC(C)(F)F)c1 ZINC000861834874 621540121 /nfs/dbraw/zinc/54/01/21/621540121.db2.gz HNIHDZXOFASZRV-UHFFFAOYSA-N 0 0 320.339 3.292 20 10 DGCDRN CCS[C@@H](C(=O)NCc1ccc2cccnc2c1O)C(C)C ZINC000862027884 621551126 /nfs/dbraw/zinc/55/11/26/621551126.db2.gz IJXLPZARQAUWOT-MRXNPFEDSA-N 0 0 318.442 3.334 20 10 DGCDRN CCn1c(C)cc(C(=O)NCc2ccc3cccnc3c2O)c1C ZINC000862028556 621551261 /nfs/dbraw/zinc/55/12/61/621551261.db2.gz CXGQYLFEQGXDRW-UHFFFAOYSA-N 0 0 323.396 3.309 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)C1(C(F)F)CCCC1 ZINC000862026380 621551282 /nfs/dbraw/zinc/55/12/82/621551282.db2.gz MLMXIOYVRJCPQU-UHFFFAOYSA-N 0 0 320.339 3.382 20 10 DGCDRN CC(C)[C@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000755173563 621556972 /nfs/dbraw/zinc/55/69/72/621556972.db2.gz AKMCOUPHJIFTJW-KRWDZBQOSA-N 0 0 313.445 3.250 20 10 DGCDRN Cc1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)nc(C)n1 ZINC000755189793 621557914 /nfs/dbraw/zinc/55/79/14/621557914.db2.gz SZAKNIYUGXVSTC-UHFFFAOYSA-N 0 0 324.428 3.014 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc3ccccn3c2)c1 ZINC000118785837 621561120 /nfs/dbraw/zinc/56/11/20/621561120.db2.gz IVMNYZWEKXPMRQ-LBPRGKRZSA-N 0 0 310.353 3.145 20 10 DGCDRN C[C@@H]1CCN(Cc2c(O)cccc2Br)C[C@H]1F ZINC000862302132 621573267 /nfs/dbraw/zinc/57/32/67/621573267.db2.gz XFJZYEUWWDZTCH-BXKDBHETSA-N 0 0 302.187 3.335 20 10 DGCDRN CN(C)c1cc(F)c(CN2CCC[C@@H](OC(F)F)C2)cc1F ZINC000862309214 621573646 /nfs/dbraw/zinc/57/36/46/621573646.db2.gz NJRYRCFGNFYKSY-LLVKDONJSA-N 0 0 320.330 3.234 20 10 DGCDRN Cc1noc([C@H]2CCCN2Cc2cc(F)c(N(C)C)cc2F)n1 ZINC000862366149 621579370 /nfs/dbraw/zinc/57/93/70/621579370.db2.gz LZTQZPQFCYQNLX-CQSZACIVSA-N 0 0 322.359 3.059 20 10 DGCDRN CN(C)c1cc(F)c(CN2C[C@H](CO)c3ccccc32)cc1F ZINC000862377525 621581657 /nfs/dbraw/zinc/58/16/57/621581657.db2.gz SCARDYAROWGNIF-CYBMUJFWSA-N 0 0 318.367 3.127 20 10 DGCDRN CN(C)c1cc(F)c(CN2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc1F ZINC000862381117 621582423 /nfs/dbraw/zinc/58/24/23/621582423.db2.gz VELJHXJDPMPFLK-ROUUACIJSA-N 0 0 322.399 3.174 20 10 DGCDRN Oc1cccc(Br)c1CN1CC2(CC(F)C2)C1 ZINC000862388865 621582674 /nfs/dbraw/zinc/58/26/74/621582674.db2.gz ADBDXWWISUSWPR-UHFFFAOYSA-N 0 0 300.171 3.089 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccc3c(c2)CC(C)(C)O3)c1 ZINC000862754767 621613895 /nfs/dbraw/zinc/61/38/95/621613895.db2.gz JFXCOEOUQKJNGJ-UHFFFAOYSA-N 0 0 311.381 3.344 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccc3c(c2)CCCC3=O)c1 ZINC000862755027 621613907 /nfs/dbraw/zinc/61/39/07/621613907.db2.gz NJFPQCIRUJVQPA-UHFFFAOYSA-N 0 0 309.365 3.150 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CCOc2cccc(C)c2C)c1 ZINC000862759545 621614232 /nfs/dbraw/zinc/61/42/32/621614232.db2.gz HEWHLGIHJXHHOL-UHFFFAOYSA-N 0 0 313.397 3.403 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)c1 ZINC000862759487 621614295 /nfs/dbraw/zinc/61/42/95/621614295.db2.gz DUYSLOHFXVBEOE-ZIAGYGMSSA-N 0 0 317.335 3.399 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1cc(F)cc(F)c1[O-] ZINC000756351118 621630175 /nfs/dbraw/zinc/63/01/75/621630175.db2.gz IXGQVMKBMJNTDE-HZMBPMFUSA-N 0 0 310.344 3.217 20 10 DGCDRN CC(C)N(CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000756370382 621632280 /nfs/dbraw/zinc/63/22/80/621632280.db2.gz GCKLDWHRXKIYRS-CYBMUJFWSA-N 0 0 309.410 3.070 20 10 DGCDRN C[C@@H]([NH2+]CCN(C)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756381973 621633411 /nfs/dbraw/zinc/63/34/11/621633411.db2.gz PNBVFKKUXZIPEE-CYBMUJFWSA-N 0 0 315.373 3.087 20 10 DGCDRN COc1ccc([C@@H](O)C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756381539 621633495 /nfs/dbraw/zinc/63/34/95/621633495.db2.gz MSIXEYXREKCAQW-HWPZZCPQSA-N 0 0 323.339 3.063 20 10 DGCDRN C[C@H]([NH2+]C[C@H](C)N1CCC[C@@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000756410717 621636433 /nfs/dbraw/zinc/63/64/33/621636433.db2.gz KJTKFRYOCQZGDT-AGIUHOORSA-N 0 0 312.404 3.441 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](C)N1CCC[C@@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756413094 621636741 /nfs/dbraw/zinc/63/67/41/621636741.db2.gz XPEOPVFXNUCGNP-MGPQQGTHSA-N 0 0 321.421 3.071 20 10 DGCDRN C[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])N1CCCC[C@@H]1C ZINC000756412516 621636838 /nfs/dbraw/zinc/63/68/38/621636838.db2.gz UPIZUBFXJXRVMZ-MJBXVCDLSA-N 0 0 321.421 3.214 20 10 DGCDRN COc1cccc(CC[NH2+][C@@H](C)c2ccc(F)cc2[O-])c1OC ZINC000756422924 621637714 /nfs/dbraw/zinc/63/77/14/621637714.db2.gz OGPWXAVQUQWWOJ-LBPRGKRZSA-N 0 0 319.376 3.442 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCOC2CCCCC2)c1 ZINC000756491595 621641672 /nfs/dbraw/zinc/64/16/72/621641672.db2.gz WIKJQEIASAMBLT-ZDUSSCGKSA-N 0 0 321.417 3.179 20 10 DGCDRN C[C@@H]([NH2+]C1CCN(C2CCC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756489241 621641677 /nfs/dbraw/zinc/64/16/77/621641677.db2.gz HKVODXIQUGIXAP-LLVKDONJSA-N 0 0 310.388 3.338 20 10 DGCDRN C[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])N1CCC(C)CC1 ZINC000756504689 621642864 /nfs/dbraw/zinc/64/28/64/621642864.db2.gz PWANDDHGOPHPRT-KGLIPLIRSA-N 0 0 321.421 3.071 20 10 DGCDRN CC(=O)C1(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000863164126 621644321 /nfs/dbraw/zinc/64/43/21/621644321.db2.gz BIOBHPVIVUSCTE-UHFFFAOYSA-N 0 0 310.397 3.080 20 10 DGCDRN Cc1cc(CNC(=O)/C=C/[C@@H]2CCCO2)c(C)n1-c1ccccc1 ZINC000863163906 621644343 /nfs/dbraw/zinc/64/43/43/621644343.db2.gz SSRZUFWYVIYGIU-VYENPZKTSA-N 0 0 324.424 3.446 20 10 DGCDRN CO[C@H](C)CC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000863164855 621644618 /nfs/dbraw/zinc/64/46/18/621644618.db2.gz CYOCTLUBVDVQSD-CQSZACIVSA-N 0 0 300.402 3.135 20 10 DGCDRN CCCOCC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000863165423 621644627 /nfs/dbraw/zinc/64/46/27/621644627.db2.gz YZAVYEFHLIEZHJ-UHFFFAOYSA-N 0 0 300.402 3.137 20 10 DGCDRN Cc1cc(CNC(=O)[C@@H]2CCC=CO2)c(C)n1-c1ccccc1 ZINC000863165775 621644644 /nfs/dbraw/zinc/64/46/44/621644644.db2.gz NRDNPEKMDSKKIY-SFHVURJKSA-N 0 0 310.397 3.403 20 10 DGCDRN C[C@@H]([NH2+]CC(C)(C)O)c1cc(Br)cc(Cl)c1[O-] ZINC000756562077 621649278 /nfs/dbraw/zinc/64/92/78/621649278.db2.gz FQVZVUGCPXIGSD-SSDOTTSWSA-N 0 0 322.630 3.230 20 10 DGCDRN CC(C)n1cc([C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000756575918 621650539 /nfs/dbraw/zinc/65/05/39/621650539.db2.gz RFCAOSBVUTYNAW-RYUDHWBXSA-N 0 0 318.377 3.490 20 10 DGCDRN Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756615981 621653210 /nfs/dbraw/zinc/65/32/10/621653210.db2.gz YABBQIFONDJEIR-NXEZZACHSA-N 0 0 323.387 3.303 20 10 DGCDRN CO[C@]1(C)C[C@@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1(C)C ZINC000756627242 621653548 /nfs/dbraw/zinc/65/35/48/621653548.db2.gz SOEQTHSPLQIKAB-QSGSBWRWSA-N 0 0 308.378 3.155 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2C[C@@](C)(OC)C2(C)C)c1 ZINC000756625383 621653614 /nfs/dbraw/zinc/65/36/14/621653614.db2.gz KAAFRRRCVLKHEO-GEWABHDNSA-N 0 0 321.417 3.033 20 10 DGCDRN C[C@H]([NH2+]Cc1ccon1)c1cc(Br)cc(F)c1[O-] ZINC000756635747 621654683 /nfs/dbraw/zinc/65/46/83/621654683.db2.gz HIHIAHHMTZQDKN-ZETCQYMHSA-N 0 0 315.142 3.133 20 10 DGCDRN C[C@@H]([NH2+]CCCNc1ccccn1)c1cc(F)cc(F)c1[O-] ZINC000756642642 621655267 /nfs/dbraw/zinc/65/52/67/621655267.db2.gz PEQQPAPJWLVZLU-LLVKDONJSA-N 0 0 307.344 3.218 20 10 DGCDRN CSc1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])ccn1 ZINC000756662243 621657269 /nfs/dbraw/zinc/65/72/69/621657269.db2.gz ALYTZUMNQYVQGN-SNVBAGLBSA-N 0 0 319.386 3.268 20 10 DGCDRN C[C@H]([NH2+][C@@H](CO)[C@@H](C)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756713065 621659479 /nfs/dbraw/zinc/65/94/79/621659479.db2.gz SPVADNMRZFGIIX-PRXAMGSTSA-N 0 0 321.367 3.486 20 10 DGCDRN C[C@H]([NH2+][C@@H](CO)[C@@H](C)c1ccccc1)c1ccc(F)cc1[O-] ZINC000756713184 621659956 /nfs/dbraw/zinc/65/99/56/621659956.db2.gz VWMMOGDFACQNTQ-DCGLDWPTSA-N 0 0 303.377 3.347 20 10 DGCDRN COCCOC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756731991 621661129 /nfs/dbraw/zinc/66/11/29/621661129.db2.gz FHTFSFZZPNDKRH-UWVGGRQHSA-N 0 0 322.232 3.401 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCSC1)c1cc(Br)cc(F)c1[O-] ZINC000756730860 621661138 /nfs/dbraw/zinc/66/11/38/621661138.db2.gz CAVAHPSCJHHFHC-CBAPKCEASA-N 0 0 320.227 3.450 20 10 DGCDRN COCCOC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756731973 621661340 /nfs/dbraw/zinc/66/13/40/621661340.db2.gz FHTFSFZZPNDKRH-NXEZZACHSA-N 0 0 322.232 3.401 20 10 DGCDRN Cc1cccc(NCC[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])n1 ZINC000756744908 621662295 /nfs/dbraw/zinc/66/22/95/621662295.db2.gz DPYDEROKZZCACE-LLVKDONJSA-N 0 0 307.344 3.137 20 10 DGCDRN C[C@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756786050 621664400 /nfs/dbraw/zinc/66/44/00/621664400.db2.gz WYSPXGBOCUJRHD-APPDUMDISA-N 0 0 313.357 3.497 20 10 DGCDRN C[C@@H]([NH2+]CCc1ccc(CO)cc1)c1cc(F)cc(F)c1[O-] ZINC000756787985 621664755 /nfs/dbraw/zinc/66/47/55/621664755.db2.gz AMASOHCNCNUUQJ-LLVKDONJSA-N 0 0 307.340 3.056 20 10 DGCDRN C[C@@H](Nc1cccc2c1oc(=O)n2C)c1ccc(F)cc1O ZINC000756856482 621668517 /nfs/dbraw/zinc/66/85/17/621668517.db2.gz QSKDPIDKQBTYHB-SECBINFHSA-N 0 0 302.305 3.149 20 10 DGCDRN COc1ccc(O)c([C@@H](C)Nc2cccc3c2oc(=O)n3C)c1 ZINC000756855634 621668824 /nfs/dbraw/zinc/66/88/24/621668824.db2.gz LSUSZPUAIVBVEB-SNVBAGLBSA-N 0 0 314.341 3.019 20 10 DGCDRN CC[C@H]1CC[C@@H](C(=O)NCc2ccc(N(CC)CC)c(F)c2)O1 ZINC000756934164 621673763 /nfs/dbraw/zinc/67/37/63/621673763.db2.gz OOEOVRGOSJGFDL-YOEHRIQHSA-N 0 0 322.424 3.246 20 10 DGCDRN Cc1cc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)ccc1N(C)C ZINC000863476270 621676498 /nfs/dbraw/zinc/67/64/98/621676498.db2.gz YRVHOKRWNBLYMD-XYJFISCASA-N 0 0 316.445 3.136 20 10 DGCDRN CCN(C)c1ccc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)cc1 ZINC000863475144 621676638 /nfs/dbraw/zinc/67/66/38/621676638.db2.gz IOFDCINZYWSQNN-OKZBNKHCSA-N 0 0 316.445 3.218 20 10 DGCDRN Cc1cc(CN2C(=O)[C@H]3CCCN3C2=O)c(C)n1-c1ccccc1 ZINC000863532644 621681270 /nfs/dbraw/zinc/68/12/70/621681270.db2.gz LFBPHUVCYRMVMG-QGZVFWFLSA-N 0 0 323.396 3.021 20 10 DGCDRN CC(C)CO[C@H](C)c1noc(CN(C)c2ccc(N)cc2)n1 ZINC000863558676 621683588 /nfs/dbraw/zinc/68/35/88/621683588.db2.gz SKELTIJVBIGOCP-GFCCVEGCSA-N 0 0 304.394 3.022 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](CCO)C1CC1 ZINC000757085600 621685507 /nfs/dbraw/zinc/68/55/07/621685507.db2.gz BOAYOBNGSGPIFY-CQSZACIVSA-N 0 0 318.442 3.046 20 10 DGCDRN CCOc1ccc(C[C@@H](C)C(=O)NCc2ccccc2O)cc1 ZINC000839611728 621703548 /nfs/dbraw/zinc/70/35/48/621703548.db2.gz ISZOSLSHJIVOOI-CQSZACIVSA-N 0 0 313.397 3.286 20 10 DGCDRN O=C(NCc1cc(Cl)cc(Cl)c1[O-])OCC(F)(F)F ZINC000805136024 621709301 /nfs/dbraw/zinc/70/93/01/621709301.db2.gz ZFEMJDROZUVHLN-UHFFFAOYSA-N 0 0 318.078 3.488 20 10 DGCDRN CCn1c(C)cc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)c1C ZINC000103528963 621711868 /nfs/dbraw/zinc/71/18/68/621711868.db2.gz REBFHMFVWUDQMY-LBPRGKRZSA-N 0 0 316.401 3.330 20 10 DGCDRN COC(=O)Nc1cccc(NCc2cccc(OC)c2O)c1 ZINC000119712483 621717961 /nfs/dbraw/zinc/71/79/61/621717961.db2.gz NKISCKXSICBGHP-UHFFFAOYSA-N 0 0 302.330 3.191 20 10 DGCDRN COC(=O)c1ccc(NCc2ccc(N(C)C)c(F)c2)cc1F ZINC000864009171 621726722 /nfs/dbraw/zinc/72/67/22/621726722.db2.gz UOYFDZOZAXJCKI-UHFFFAOYSA-N 0 0 320.339 3.430 20 10 DGCDRN CN=[S@](C)(=O)c1cccc(NCc2cc(F)ccc2O)c1 ZINC000864014919 621727623 /nfs/dbraw/zinc/72/76/23/621727623.db2.gz ZZJZYFIBUGFYAP-OAQYLSRUSA-N 0 0 308.378 3.230 20 10 DGCDRN CC(=O)NCc1ccc(N[C@@H](C)c2cc(F)ccc2O)cc1 ZINC000757606220 621728037 /nfs/dbraw/zinc/72/80/37/621728037.db2.gz ZFTVUZFAJRFQMW-NSHDSACASA-N 0 0 302.349 3.341 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000757630480 621729629 /nfs/dbraw/zinc/72/96/29/621729629.db2.gz KRKAZCCBFXREQZ-IAQYHMDHSA-N 0 0 321.417 3.176 20 10 DGCDRN C[C@@H](CCCC(F)(F)F)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000757647140 621730999 /nfs/dbraw/zinc/73/09/99/621730999.db2.gz OIGNTXBRAPDXGN-BXKUYDPTSA-N 0 0 317.307 3.348 20 10 DGCDRN COc1ccc(N(C)CC(=O)N[C@@H]2CCCC[C@@H]2C)cc1Cl ZINC000757857474 621743274 /nfs/dbraw/zinc/74/32/74/621743274.db2.gz URDFHTGTPSQPBL-SWLSCSKDSA-N 0 0 324.852 3.480 20 10 DGCDRN CC(=O)Nc1cccc(/C=C2\SC(=S)N(C3CC3)C2=O)c1 ZINC000864354706 621759865 /nfs/dbraw/zinc/75/98/65/621759865.db2.gz ACIFIIWFMQUFRW-JYRVWZFOSA-N 0 0 318.423 3.009 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cc(C)c(C)nn1 ZINC000758241758 621770060 /nfs/dbraw/zinc/77/00/60/621770060.db2.gz FJCRJBNOOOUVDX-UHFFFAOYSA-N 0 0 314.389 3.243 20 10 DGCDRN CC[C@@H]1CN(C)c2ccccc2CN1C(=O)C1=CC(=O)CS1 ZINC000758311468 621774265 /nfs/dbraw/zinc/77/42/65/621774265.db2.gz NEKROSTYLDSUKA-CYBMUJFWSA-N 0 0 316.426 3.325 20 10 DGCDRN CN(C)c1cc(F)c(C[NH2+][C@H](CC(C)(C)C)C(=O)[O-])cc1F ZINC000864507448 621775399 /nfs/dbraw/zinc/77/53/99/621775399.db2.gz NTQSHXKXSXTPCG-CYBMUJFWSA-N 0 0 314.376 3.010 20 10 DGCDRN COc1cc(COC(=O)c2cccc(O)c2O)ccc1SC ZINC000758547389 621787891 /nfs/dbraw/zinc/78/78/91/621787891.db2.gz KPAFSYXDGCZLHU-UHFFFAOYSA-N 0 0 320.366 3.185 20 10 DGCDRN COc1ccccc1N(C)C(=O)/C=C/c1ccc(Cl)nc1 ZINC000758544344 621788045 /nfs/dbraw/zinc/78/80/45/621788045.db2.gz BEFXIAFFRBFBIB-CSKARUKUSA-N 0 0 302.761 3.420 20 10 DGCDRN O=C(COC(=O)c1cccc(O)c1O)c1cccc2ccccc21 ZINC000758572874 621789925 /nfs/dbraw/zinc/78/99/25/621789925.db2.gz OKVMYQDKNZHBIS-UHFFFAOYSA-N 0 0 322.316 3.291 20 10 DGCDRN Oc1cc2c(cc1CNc1ccc(-c3cnco3)cc1)OCO2 ZINC000120138429 621790896 /nfs/dbraw/zinc/79/08/96/621790896.db2.gz SXFRDKLPPYDSCF-UHFFFAOYSA-N 0 0 310.309 3.388 20 10 DGCDRN CC(C)OCCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000758717214 621797881 /nfs/dbraw/zinc/79/78/81/621797881.db2.gz HEIOUJACTDLUBO-UHFFFAOYSA-N 0 0 321.465 3.098 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)C1CC2(CSC2)C1 ZINC000864862575 621823311 /nfs/dbraw/zinc/82/33/11/621823311.db2.gz KVZFMUYXQQUFLN-UHFFFAOYSA-N 0 0 316.470 3.046 20 10 DGCDRN Cc1nocc1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000864950593 621836118 /nfs/dbraw/zinc/83/61/18/621836118.db2.gz XKGBUIMQBKLHBG-UHFFFAOYSA-N 0 0 301.390 3.100 20 10 DGCDRN Cc1cc(C(=O)NOCC(F)F)c(C)n1-c1ccccc1C ZINC000759341848 621847962 /nfs/dbraw/zinc/84/79/62/621847962.db2.gz GVWMBZYPQDRCDI-UHFFFAOYSA-N 0 0 308.328 3.329 20 10 DGCDRN O=C(CC1CSC1)NCc1ccc(N2CCCCC2)cc1 ZINC000865030795 621848518 /nfs/dbraw/zinc/84/85/18/621848518.db2.gz DEXQWAUDPCULON-UHFFFAOYSA-N 0 0 304.459 3.046 20 10 DGCDRN COCc1cccc(COC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000759580224 621873057 /nfs/dbraw/zinc/87/30/57/621873057.db2.gz ORMPVWNSYKURKL-VURMDHGXSA-N 0 0 314.337 3.001 20 10 DGCDRN CC(C)C(C)(C)NC(=O)NCCCSc1nccs1 ZINC000759591797 621873529 /nfs/dbraw/zinc/87/35/29/621873529.db2.gz RQECXYHXDCTBRF-UHFFFAOYSA-N 0 0 301.481 3.359 20 10 DGCDRN O=C(/C=C\c1ccc(Cl)nc1)N1CCc2cccc(F)c21 ZINC000759619185 621876172 /nfs/dbraw/zinc/87/61/72/621876172.db2.gz XLUQNZWFCGTUQV-ALCCZGGFSA-N 0 0 302.736 3.477 20 10 DGCDRN Oc1cccc(Cl)c1CNc1nnc([C@@H]2CCCO2)s1 ZINC000865296165 621892518 /nfs/dbraw/zinc/89/25/18/621892518.db2.gz RINAIWWYDALWDH-NSHDSACASA-N 0 0 311.794 3.361 20 10 DGCDRN C[C@@H](O)c1ccc(N2CC=C(c3c[nH]c4ncccc34)CC2)nc1 ZINC000865425567 621917569 /nfs/dbraw/zinc/91/75/69/621917569.db2.gz RPYKRGQEESFOJJ-CYBMUJFWSA-N 0 0 320.396 3.305 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCC2(CC1)OCc1ccccc12 ZINC000760151968 621918396 /nfs/dbraw/zinc/91/83/96/621918396.db2.gz KSEKWVQJQNIBQC-UHFFFAOYSA-N 0 0 315.394 3.115 20 10 DGCDRN Cc1cc(/C=C2/SC(=S)N(C3CC3)C2=O)cnc1Cl ZINC000760216519 621921660 /nfs/dbraw/zinc/92/16/60/621921660.db2.gz BURUUKXJUKEALG-BJMVGYQFSA-N 0 0 310.831 3.407 20 10 DGCDRN CC[C@@H](CC(F)(F)F)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000760602662 621953530 /nfs/dbraw/zinc/95/35/30/621953530.db2.gz NZBGZUBAGLVLBQ-LBPRGKRZSA-N 0 0 317.355 3.283 20 10 DGCDRN COC(=O)[C@H](NCc1ccc(OC)c(C)c1)c1cccs1 ZINC000789573669 625527237 /nfs/dbraw/zinc/52/72/37/625527237.db2.gz YRNAZQNCIGQYGQ-OAHLLOKOSA-N 0 0 305.399 3.069 20 10 DGCDRN CCN(Cc1nc2ccc(OC)nc2[nH]1)c1ccc(OC)cc1 ZINC000760858736 621968919 /nfs/dbraw/zinc/96/89/19/621968919.db2.gz HFVZBCIJYRALCN-UHFFFAOYSA-N 0 0 312.373 3.002 20 10 DGCDRN CCC(CC)(C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C(=O)OC ZINC000760877824 621971314 /nfs/dbraw/zinc/97/13/14/621971314.db2.gz ABUBMTJCQGAWJD-JTQLQIEISA-N 0 0 315.360 3.300 20 10 DGCDRN CCn1nc(C)c(CN(C)c2ccc(OC)c(OC)c2)c1C ZINC000761220492 621995322 /nfs/dbraw/zinc/99/53/22/621995322.db2.gz FATRJSYONGVJPU-UHFFFAOYSA-N 0 0 303.406 3.173 20 10 DGCDRN COc1cc(Cl)cc(CNc2ccc(N(C)C)cn2)c1O ZINC000761216669 621995353 /nfs/dbraw/zinc/99/53/53/621995353.db2.gz VMDLHGMFPVTBDB-UHFFFAOYSA-N 0 0 307.781 3.127 20 10 DGCDRN COc1ccc(O)c(CN(C)c2ccc(OC)c(OC)c2)c1 ZINC000761223267 621995813 /nfs/dbraw/zinc/99/58/13/621995813.db2.gz YXSQBBSTPSAXMX-UHFFFAOYSA-N 0 0 303.358 3.054 20 10 DGCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCC1CCC1 ZINC000761353855 622003126 /nfs/dbraw/zinc/00/31/26/622003126.db2.gz NEKVTBDVTMMSAT-UHFFFAOYSA-N 0 0 322.792 3.000 20 10 DGCDRN C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)[C@@H](C)N(C2CCC2)C1=O ZINC000761576056 622018484 /nfs/dbraw/zinc/01/84/84/622018484.db2.gz AEJSFJRZHLGZTJ-QWHCGFSZSA-N 0 0 315.417 3.019 20 10 DGCDRN O=C(Nc1nc(C2CC2)cs1)N1Cc2cccc(O)c2C1 ZINC000866099966 622045811 /nfs/dbraw/zinc/04/58/11/622045811.db2.gz BDSVXRARPQPPEI-UHFFFAOYSA-N 0 0 301.371 3.274 20 10 DGCDRN CC(C)Oc1nccnc1NCc1ccc(N2CCCC2)cc1 ZINC000762790923 622098654 /nfs/dbraw/zinc/09/86/54/622098654.db2.gz QVFWJQSKBLMKLY-UHFFFAOYSA-N 0 0 312.417 3.476 20 10 DGCDRN Cc1sc(Cl)nc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000762870846 622106943 /nfs/dbraw/zinc/10/69/43/622106943.db2.gz LEXPYCZXLIEPQX-UHFFFAOYSA-N 0 0 323.849 3.409 20 10 DGCDRN Cn1cc(CC[NH2+][C@H]2CCc3cccc(O)c32)c2cccnc21 ZINC000866572596 622141015 /nfs/dbraw/zinc/14/10/15/622141015.db2.gz CPVJBDUWHKDFAC-INIZCTEOSA-N 0 0 307.397 3.099 20 10 DGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@H]2CCC(F)(F)C2)c1[O-] ZINC000763523039 622149961 /nfs/dbraw/zinc/14/99/61/622149961.db2.gz TYKRZECFCHYMHW-VIFPVBQESA-N 0 0 306.696 3.231 20 10 DGCDRN COc1cccc(CNC(=O)c2nc(C(C)(C)C)cs2)c1O ZINC000866764270 622163222 /nfs/dbraw/zinc/16/32/22/622163222.db2.gz RRCVXNJCOJFYSN-UHFFFAOYSA-N 0 0 320.414 3.085 20 10 DGCDRN CCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2O)s1 ZINC000867834603 622187202 /nfs/dbraw/zinc/18/72/02/622187202.db2.gz ROPVUPWGXRZFEY-JTQLQIEISA-N 0 0 311.428 3.056 20 10 DGCDRN Cc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2O)cc1C ZINC000867833858 622187518 /nfs/dbraw/zinc/18/75/18/622187518.db2.gz CMDOMKQJKSUFOS-CYBMUJFWSA-N 0 0 305.399 3.049 20 10 DGCDRN COC(=O)c1coc(CN(C)c2ccc(OC)c(Cl)c2)c1 ZINC000121878554 622187799 /nfs/dbraw/zinc/18/77/99/622187799.db2.gz NHOMZWHZFJCVSW-UHFFFAOYSA-N 0 0 309.749 3.365 20 10 DGCDRN COc1ccc(N(C)CC(=O)NC(C2CC2)C2CC2)cc1Cl ZINC000121872359 622187939 /nfs/dbraw/zinc/18/79/39/622187939.db2.gz BEPVEXOPNBGPJP-UHFFFAOYSA-N 0 0 322.836 3.090 20 10 DGCDRN C[C@@H]1CC2(CCC2)CN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000764333847 622188932 /nfs/dbraw/zinc/18/89/32/622188932.db2.gz AIRCKNCQLZZULK-CYBMUJFWSA-N 0 0 319.424 3.366 20 10 DGCDRN COc1ccc(N(C)Cc2ccc(C(N)=O)cc2)cc1Cl ZINC000121915810 622190855 /nfs/dbraw/zinc/19/08/55/622190855.db2.gz WZGBMOCEUPOUIB-UHFFFAOYSA-N 0 0 304.777 3.084 20 10 DGCDRN COc1ccc(N(C)CC(=O)NCc2ccccc2)cc1Cl ZINC000121925747 622194691 /nfs/dbraw/zinc/19/46/91/622194691.db2.gz FZPRTRYSXGDFEA-UHFFFAOYSA-N 0 0 318.804 3.101 20 10 DGCDRN CC[C@H]1CN(c2ccccc2)CCN1C(=O)C1=CC(=O)CS1 ZINC000764484154 622197319 /nfs/dbraw/zinc/19/73/19/622197319.db2.gz MIRVYGHFLVDEDI-ZDUSSCGKSA-N 0 0 316.426 3.195 20 10 DGCDRN C[C@H](CCc1ccco1)NC(=O)N[C@@H](C)c1ccccc1O ZINC000867984829 622200116 /nfs/dbraw/zinc/20/01/16/622200116.db2.gz PHNIHUBJMPBPJA-OLZOCXBDSA-N 0 0 302.374 3.367 20 10 DGCDRN COCc1ccc(CNC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000868044639 622208331 /nfs/dbraw/zinc/20/83/31/622208331.db2.gz OWBIRXXKHILIMD-ZDUSSCGKSA-N 0 0 314.385 3.099 20 10 DGCDRN CC(C)(CC(=O)NCc1ccc(N)cc1)c1ccc(F)cc1 ZINC000868061384 622209629 /nfs/dbraw/zinc/20/96/29/622209629.db2.gz KIPDRAGXCGORCD-UHFFFAOYSA-N 0 0 300.377 3.392 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cnn(C(F)F)c1 ZINC000868109298 622214790 /nfs/dbraw/zinc/21/47/90/622214790.db2.gz CPIWISKOWGCMOC-UHFFFAOYSA-N 0 0 323.343 3.426 20 10 DGCDRN C[C@@H](NC(=O)NCCSC(F)(F)F)c1ccccc1O ZINC000868108531 622214826 /nfs/dbraw/zinc/21/48/26/622214826.db2.gz MFTYZSZGPZCVLA-MRVPVSSYSA-N 0 0 308.325 3.005 20 10 DGCDRN Cc1csc([C@H](C)NC(=O)N[C@H](C)c2ccccc2O)n1 ZINC000868205349 622225872 /nfs/dbraw/zinc/22/58/72/622225872.db2.gz YSWQFBPIBOBTHU-MNOVXSKESA-N 0 0 305.403 3.279 20 10 DGCDRN Cc1noc(C)c1[C@H](C)NC(=O)N[C@H](C)c1ccccc1O ZINC000868251821 622228610 /nfs/dbraw/zinc/22/86/10/622228610.db2.gz AUQBBTMXEGSAMZ-ZJUUUORDSA-N 0 0 303.362 3.118 20 10 DGCDRN Cc1nc(CNC(=O)N[C@@H](C)c2ccccc2O)sc1C ZINC000868323840 622234688 /nfs/dbraw/zinc/23/46/88/622234688.db2.gz CZSRRQAAVRKSHH-JTQLQIEISA-N 0 0 305.403 3.026 20 10 DGCDRN Cn1c(Sc2ncc(Cl)s2)nnc1-c1ccccn1 ZINC000765056993 622242462 /nfs/dbraw/zinc/24/24/62/622242462.db2.gz WWCYXKOBMDDOTP-UHFFFAOYSA-N 0 0 309.807 3.138 20 10 DGCDRN CC(C)C[C@@H]1C[C@H](NC(=O)N[C@@H](C)c2ccccc2O)CCO1 ZINC000868479849 622248075 /nfs/dbraw/zinc/24/80/75/622248075.db2.gz LKCUIUHFTXQGDW-RRFJBIMHSA-N 0 0 320.433 3.346 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1CC(C)(C)OC1(C)C)c1ccccc1O ZINC000868483618 622248402 /nfs/dbraw/zinc/24/84/02/622248402.db2.gz ZIJIXZMTYLGBCH-BXUZGUMPSA-N 0 0 306.406 3.099 20 10 DGCDRN CC(F)(F)CCC(=O)NCc1cccc(Br)c1O ZINC000765750570 622284742 /nfs/dbraw/zinc/28/47/42/622284742.db2.gz IBJIMYPJMZSAIX-UHFFFAOYSA-N 0 0 322.149 3.206 20 10 DGCDRN COC1CCC(CCNC(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC000868498201 622250270 /nfs/dbraw/zinc/25/02/70/622250270.db2.gz KVETZTPJWDGMJD-NFOMZHRRSA-N 0 0 320.433 3.348 20 10 DGCDRN CC(C)C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](C)c1ccccc1O ZINC000868516448 622253074 /nfs/dbraw/zinc/25/30/74/622253074.db2.gz IIOXAAYWRDRPBI-LXZKKBNFSA-N 0 0 320.433 3.346 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1CCCC12CCOCC2)c1ccccc1O ZINC000868582808 622260323 /nfs/dbraw/zinc/26/03/23/622260323.db2.gz MVNFUTMXXHJUOO-BBRMVZONSA-N 0 0 318.417 3.102 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1c2ccccc2O[C@H]1C)c1ccccc1O ZINC000868617170 622264335 /nfs/dbraw/zinc/26/43/35/622264335.db2.gz ABRYQBFRDBEBNI-NVGCLXPQSA-N 0 0 312.369 3.275 20 10 DGCDRN Cc1cc([C@@H]2CN(C(=O)C3=CC(=O)CS3)CCO2)ccc1F ZINC000765420529 622264484 /nfs/dbraw/zinc/26/44/84/622264484.db2.gz HETDLESXPXOVNU-AWEZNQCLSA-N 0 0 321.373 3.115 20 10 DGCDRN COc1ccc(N(Cc2ccn(C)n2)Cc2ccco2)cc1F ZINC000765499649 622268447 /nfs/dbraw/zinc/26/84/47/622268447.db2.gz LALDFSUCQCYWDS-UHFFFAOYSA-N 0 0 315.348 3.368 20 10 DGCDRN Cc1cccnc1CCCNC(=O)N[C@@H](C)c1ccccc1O ZINC000868670059 622271365 /nfs/dbraw/zinc/27/13/65/622271365.db2.gz CBBXVIMGSRWHKY-AWEZNQCLSA-N 0 0 313.401 3.089 20 10 DGCDRN CC(C)[C@@H]1C[C@@H](CNC(=O)N[C@@H](C)c2ccccc2O)CCO1 ZINC000868671737 622271420 /nfs/dbraw/zinc/27/14/20/622271420.db2.gz CMIOCPSQIUXEAU-ZQIUZPCESA-N 0 0 320.433 3.204 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1C[C@]1(F)c1ccccc1)c1ccccc1O ZINC000868725810 622278002 /nfs/dbraw/zinc/27/80/02/622278002.db2.gz PHNSGVLNJHYQML-XZOAIXRZSA-N 0 0 314.360 3.390 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NCC[C@H]2CCSC2)cc1 ZINC000868833593 622290934 /nfs/dbraw/zinc/29/09/34/622290934.db2.gz RNKSEXBSRNJNMA-HNNXBMFYSA-N 0 0 321.490 3.037 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)NCC(C)(C)F)cc1 ZINC000868837766 622291527 /nfs/dbraw/zinc/29/15/27/622291527.db2.gz JWNWNPUQOAMSPW-UHFFFAOYSA-N 0 0 309.429 3.422 20 10 DGCDRN O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)C1=CC(=O)CS1 ZINC000765863897 622291803 /nfs/dbraw/zinc/29/18/03/622291803.db2.gz BUVUNSUOOIBQBH-OCCSQVGLSA-N 0 0 303.383 3.104 20 10 DGCDRN Cc1cc(C(=O)NCc2ccn(C)n2)c(C)n1-c1cccc(C)c1 ZINC000765913610 622293574 /nfs/dbraw/zinc/29/35/74/622293574.db2.gz DQGSCBZIWNGRAZ-UHFFFAOYSA-N 0 0 322.412 3.066 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H](CO)C(C)C ZINC000805317213 622296199 /nfs/dbraw/zinc/29/61/99/622296199.db2.gz SEOQDBOLHQPGDF-CQSZACIVSA-N 0 0 320.458 3.150 20 10 DGCDRN CSCCCCC(=O)NCCCSc1nccs1 ZINC000122356766 622300579 /nfs/dbraw/zinc/30/05/79/622300579.db2.gz LJAXLSJNWHIUEH-UHFFFAOYSA-N 0 0 304.506 3.275 20 10 DGCDRN Cc1ncc([C@H](C)NC(=O)N[C@H](C)c2ccccc2O)s1 ZINC000868934948 622301353 /nfs/dbraw/zinc/30/13/53/622301353.db2.gz YOUYOLZXWRANNF-ZJUUUORDSA-N 0 0 305.403 3.279 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NCC[C@@H]2CCCS2)cc1 ZINC000868979484 622305810 /nfs/dbraw/zinc/30/58/10/622305810.db2.gz TZOHKFAUVFRUSX-INIZCTEOSA-N 0 0 321.490 3.180 20 10 DGCDRN C[C@@H](NC(=O)N[C@H](C1CCC1)[C@H]1CCCO1)c1ccccc1O ZINC000868988696 622306826 /nfs/dbraw/zinc/30/68/26/622306826.db2.gz AZIIZEGSKZSRHV-CSMYWGQOSA-N 0 0 318.417 3.100 20 10 DGCDRN COc1ccc2c(c1)CCCCN2CC(=O)N1CCC[C@@H](C)C1 ZINC000766270927 622316284 /nfs/dbraw/zinc/31/62/84/622316284.db2.gz WZGJCAXLEWATLO-OAHLLOKOSA-N 0 0 316.445 3.096 20 10 DGCDRN CC[C@@H]1CCCC[C@H]1OCC(=O)NCc1ccc(N(C)C)cc1 ZINC000766332369 622322126 /nfs/dbraw/zinc/32/21/26/622322126.db2.gz NJPOYBRVSHLWKG-SJLPKXTDSA-N 0 0 318.461 3.354 20 10 DGCDRN O=C1SCCN1CN1CCCc2cc(OC(F)F)ccc21 ZINC000766350728 622323857 /nfs/dbraw/zinc/32/38/57/622323857.db2.gz GTCBZDMEBDWCFJ-UHFFFAOYSA-N 0 0 314.357 3.167 20 10 DGCDRN COc1ccc(CNC(=S)Nc2ccc(C)c(F)c2)nc1 ZINC000766513039 622335273 /nfs/dbraw/zinc/33/52/73/622335273.db2.gz WPSPAZDRZVNWLE-UHFFFAOYSA-N 0 0 305.378 3.024 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)CC(F)(F)F)c1 ZINC000766655525 622344908 /nfs/dbraw/zinc/34/49/08/622344908.db2.gz CWGDUCVSNBIKPI-RKDXNWHRSA-N 0 0 320.311 3.102 20 10 DGCDRN C[C@@H](CC(F)(F)F)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000766658399 622345347 /nfs/dbraw/zinc/34/53/47/622345347.db2.gz ZYDNSSXHVDAAFE-VIFPVBQESA-N 0 0 321.318 3.032 20 10 DGCDRN O=C(OCc1nnc(-c2ccccc2)s1)C1=CC(=O)CS1 ZINC000766713134 622348535 /nfs/dbraw/zinc/34/85/35/622348535.db2.gz MCTQXPFFOHKCCB-UHFFFAOYSA-N 0 0 318.379 3.329 20 10 DGCDRN COc1ccc(N(Cc2nnnn2C(C)(C)C)CC(C)C)cc1 ZINC000766808507 622354373 /nfs/dbraw/zinc/35/43/73/622354373.db2.gz GVHZNYXBSVHNRP-UHFFFAOYSA-N 0 0 317.437 3.099 20 10 DGCDRN CC/C=C/CCN(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000767325765 622390351 /nfs/dbraw/zinc/39/03/51/622390351.db2.gz XIDSYUDKDUAZNR-SNAWJCMRSA-N 0 0 311.809 3.377 20 10 DGCDRN CC1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1c1ccco1 ZINC000869788463 622402721 /nfs/dbraw/zinc/40/27/21/622402721.db2.gz QRUMZISYJOSLMX-JKNJVXJCSA-N 0 0 313.353 3.314 20 10 DGCDRN CN1C(=O)/C(=C\c2cncs2)c2cc(Br)ccc21 ZINC000767717948 622418361 /nfs/dbraw/zinc/41/83/61/622418361.db2.gz IBFMCAWMNFVXGW-WZUFQYTHSA-N 0 0 321.199 3.423 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cn1ccc(Br)n1 ZINC000767976952 622432120 /nfs/dbraw/zinc/43/21/20/622432120.db2.gz BFMSQRPCEJYTTI-UHFFFAOYSA-N 0 0 322.206 3.065 20 10 DGCDRN COc1ccc(N2CCN(Cc3cc(F)cc(F)c3)CC2)cc1 ZINC000768140633 622441400 /nfs/dbraw/zinc/44/14/00/622441400.db2.gz QNCCUTFTDSIOSO-UHFFFAOYSA-N 0 0 318.367 3.296 20 10 DGCDRN CN(CC(=O)OC(C)(C)C)Cc1cc2c(cc1O)CCCC2 ZINC000768448700 622456996 /nfs/dbraw/zinc/45/69/96/622456996.db2.gz WMYZZBRFWMKONE-UHFFFAOYSA-N 0 0 305.418 3.045 20 10 DGCDRN Cc1ccc2c(c1)CCCN2Cc1cc2c(cc1O)OC[C@H]2O ZINC000768463638 622458130 /nfs/dbraw/zinc/45/81/30/622458130.db2.gz VHMASWQDVMGOFJ-GOSISDBHSA-N 0 0 311.381 3.079 20 10 DGCDRN Cc1cc(C)c2c(N)c(C(=O)OCCOC3CCC3)sc2n1 ZINC000805368304 622465365 /nfs/dbraw/zinc/46/53/65/622465365.db2.gz DHSZRSRWRZYBNX-UHFFFAOYSA-N 0 0 320.414 3.221 20 10 DGCDRN O=C(/C=C/c1cnc2ccccc2n1)N1CCc2cccc(F)c21 ZINC000768585526 622465492 /nfs/dbraw/zinc/46/54/92/622465492.db2.gz FLJXCEUOFNCBPK-CMDGGOBGSA-N 0 0 319.339 3.371 20 10 DGCDRN CC(C)Oc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000018215068 622474120 /nfs/dbraw/zinc/47/41/20/622474120.db2.gz TVBAWPGIHIQJCZ-UHFFFAOYSA-N 0 0 312.413 3.470 20 10 DGCDRN Cc1ccc(C(=O)NC2CCC(OC(C)(C)C)CC2)c(O)c1O ZINC000870491609 622474937 /nfs/dbraw/zinc/47/49/37/622474937.db2.gz VPGSOIBJEWIZLR-UHFFFAOYSA-N 0 0 321.417 3.262 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCC(C)(C)C2)c1 ZINC000768765678 622475607 /nfs/dbraw/zinc/47/56/07/622475607.db2.gz FTOXGGKOBUSMGO-NEPJUHHUSA-N 0 0 306.406 3.340 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)CCC2CC2)c1 ZINC000768969779 622488950 /nfs/dbraw/zinc/48/89/50/622488950.db2.gz QZCAAMUEQJHHRI-NWDGAFQWSA-N 0 0 306.406 3.340 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)N[C@H]2CC3CCC2CC3)cc1 ZINC000769180958 622505946 /nfs/dbraw/zinc/50/59/46/622505946.db2.gz VUFJFMQRTSCYBR-PVARCSIZSA-N 0 0 315.461 3.473 20 10 DGCDRN CC[C@@H](NC(=O)N(C)Cc1ccccc1O)c1c(C)noc1C ZINC000123328260 622515994 /nfs/dbraw/zinc/51/59/94/622515994.db2.gz AODPFODZVYBNMS-CQSZACIVSA-N 0 0 317.389 3.290 20 10 DGCDRN COC(=O)c1ccc2c(c1)CN(Cc1ccc(N(C)C)cc1)C2 ZINC000769369002 622521167 /nfs/dbraw/zinc/52/11/67/622521167.db2.gz IUEXWCDEAHFEHL-UHFFFAOYSA-N 0 0 310.397 3.055 20 10 DGCDRN COc1cccc(O)c1CN(C)Cc1nc2c(s1)CCCC2 ZINC000769394006 622524060 /nfs/dbraw/zinc/52/40/60/622524060.db2.gz HFQOPRNFZCDWEL-UHFFFAOYSA-N 0 0 318.442 3.368 20 10 DGCDRN C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769445592 622528338 /nfs/dbraw/zinc/52/83/38/622528338.db2.gz HKJQVAKWLGOATB-BDAKNGLRSA-N 0 0 316.810 3.280 20 10 DGCDRN Oc1ccc(-c2ccccc2)cc1CN1CCc2c[nH]nc2C1 ZINC000769468375 622530081 /nfs/dbraw/zinc/53/00/81/622530081.db2.gz GTPOJVOSVPPXRG-UHFFFAOYSA-N 0 0 305.381 3.341 20 10 DGCDRN CCOc1ccc(CN2CCOC[C@@H]2c2ccccc2)c(O)c1 ZINC000769503812 622534848 /nfs/dbraw/zinc/53/48/48/622534848.db2.gz NDQBJWPKZQXCEQ-GOSISDBHSA-N 0 0 313.397 3.364 20 10 DGCDRN COc1cccc(O)c1CN1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000769514405 622536710 /nfs/dbraw/zinc/53/67/10/622536710.db2.gz LYDOOKOLZRLEST-SJKOYZFVSA-N 0 0 319.426 3.424 20 10 DGCDRN Cc1cccc(OCCC(=O)N2Cc3cccc(O)c3C2)c1C ZINC000871197960 622565560 /nfs/dbraw/zinc/56/55/60/622565560.db2.gz BHLIXWOHUQLSFC-UHFFFAOYSA-N 0 0 311.381 3.320 20 10 DGCDRN CC(C)(C)c1nc(CC(=O)N2Cc3cccc(O)c3C2)cs1 ZINC000871200325 622566429 /nfs/dbraw/zinc/56/64/29/622566429.db2.gz AJRPSKOFGWAZNN-UHFFFAOYSA-N 0 0 316.426 3.231 20 10 DGCDRN CCSc1cc(C(=O)N2Cc3cccc(O)c3C2)ccn1 ZINC000871200871 622566479 /nfs/dbraw/zinc/56/64/79/622566479.db2.gz LCZQHSKLWXHUIG-UHFFFAOYSA-N 0 0 300.383 3.055 20 10 DGCDRN COc1ccccc1C(C)(C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871201145 622566599 /nfs/dbraw/zinc/56/65/99/622566599.db2.gz PXLFOBPJDMGLJP-UHFFFAOYSA-N 0 0 311.381 3.221 20 10 DGCDRN COc1ccc(C(C)(C)C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871202794 622567021 /nfs/dbraw/zinc/56/70/21/622567021.db2.gz GHLYHMMTVCISOV-UHFFFAOYSA-N 0 0 311.381 3.221 20 10 DGCDRN COc1ccccc1C/C(C)=C\C(=O)N1Cc2cccc(O)c2C1 ZINC000871202693 622567154 /nfs/dbraw/zinc/56/71/54/622567154.db2.gz LIRZHTBCLBYOMR-KAMYIIQDSA-N 0 0 323.392 3.432 20 10 DGCDRN COc1ccccc1C/C(C)=C/C(=O)N1Cc2cccc(O)c2C1 ZINC000871202694 622567199 /nfs/dbraw/zinc/56/71/99/622567199.db2.gz LIRZHTBCLBYOMR-SDNWHVSQSA-N 0 0 323.392 3.432 20 10 DGCDRN O=C([C@H]1SCCc2sccc21)N1Cc2cccc(O)c2C1 ZINC000871203363 622567493 /nfs/dbraw/zinc/56/74/93/622567493.db2.gz YRKGEQIVNQMPDV-HNNXBMFYSA-N 0 0 317.435 3.327 20 10 DGCDRN CC[C@@H](C(=O)N1Cc2cccc(O)c2C1)c1ccc(OC)cc1 ZINC000871204356 622567893 /nfs/dbraw/zinc/56/78/93/622567893.db2.gz YQOOWOWYFPRUHK-MRXNPFEDSA-N 0 0 311.381 3.437 20 10 DGCDRN CC(C)(C)c1cnc(CCC(=O)N2Cc3cccc(O)c3C2)o1 ZINC000871205091 622568090 /nfs/dbraw/zinc/56/80/90/622568090.db2.gz VZTACKBZMAFGSY-UHFFFAOYSA-N 0 0 314.385 3.153 20 10 DGCDRN Cc1nc(CC(C)C)oc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871205307 622568138 /nfs/dbraw/zinc/56/81/38/622568138.db2.gz YSMIMMFCZZVUAX-UHFFFAOYSA-N 0 0 300.358 3.043 20 10 DGCDRN COc1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1C1CC1 ZINC000871204896 622568188 /nfs/dbraw/zinc/56/81/88/622568188.db2.gz RZHLQMDIGIQBPS-UHFFFAOYSA-N 0 0 309.365 3.434 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCO[C@@H](C)C1 ZINC000770230501 622614639 /nfs/dbraw/zinc/61/46/39/622614639.db2.gz SGINKCAXXYEBQX-UONOGXRCSA-N 0 0 318.442 3.453 20 10 DGCDRN COc1ccc(N2CCN(Cc3cc(C)oc3C)CC2)cc1F ZINC000770306238 622619754 /nfs/dbraw/zinc/61/97/54/622619754.db2.gz LKFGHJGABMBDPJ-UHFFFAOYSA-N 0 0 318.392 3.366 20 10 DGCDRN Cc1cc(C(=O)N2CCc3ncccc32)c(C)n1-c1ccccn1 ZINC000770315605 622620651 /nfs/dbraw/zinc/62/06/51/622620651.db2.gz AEUFWQQTSUWTBN-UHFFFAOYSA-N 0 0 318.380 3.087 20 10 DGCDRN C[C@H]1CN(Cc2c(O)cccc2Cl)CCN1CC(F)(F)F ZINC000770393487 622628901 /nfs/dbraw/zinc/62/89/01/622628901.db2.gz YQFPYVWXHVVYTD-JTQLQIEISA-N 0 0 322.758 3.114 20 10 DGCDRN COC(=O)N(C)c1ccc(NCc2c(O)cccc2OC)cc1 ZINC000770406639 622630683 /nfs/dbraw/zinc/63/06/83/622630683.db2.gz VFQMWQBAZAFOKW-UHFFFAOYSA-N 0 0 316.357 3.216 20 10 DGCDRN CCOc1ccc(CNc2cccc(-c3nc[nH]n3)c2)c(O)c1 ZINC000770412320 622631868 /nfs/dbraw/zinc/63/18/68/622631868.db2.gz XXILJGBMQNQOIZ-UHFFFAOYSA-N 0 0 310.357 3.188 20 10 DGCDRN Cc1cc(C(=O)NC(C)(C)[C@H](C)O)c(C)n1-c1cccc(C)c1 ZINC000770439331 622634404 /nfs/dbraw/zinc/63/44/04/622634404.db2.gz BTJZBHSLWWOXQM-HNNXBMFYSA-N 0 0 314.429 3.292 20 10 DGCDRN CN(C)c1ccc(CNc2nnc(C(F)F)s2)cc1F ZINC000770457060 622635851 /nfs/dbraw/zinc/63/58/51/622635851.db2.gz FEMBEHVUQNLLOX-UHFFFAOYSA-N 0 0 302.325 3.293 20 10 DGCDRN Cc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(O)c1O ZINC000770468171 622636574 /nfs/dbraw/zinc/63/65/74/622636574.db2.gz FYQFGGSKSAKBGJ-UHFFFAOYSA-N 0 0 301.386 3.105 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)c1nn2cc(C)nc2s1 ZINC000770473650 622637459 /nfs/dbraw/zinc/63/74/59/622637459.db2.gz XOPSPLTYPNAAIJ-UHFFFAOYSA-N 0 0 315.446 3.192 20 10 DGCDRN Cc1ccc(C(=O)N[C@H]2CCc3c2cccc3Cl)c(O)c1O ZINC000770487995 622638269 /nfs/dbraw/zinc/63/82/69/622638269.db2.gz ZHXZEKSUOGLUGL-AWEZNQCLSA-N 0 0 317.772 3.477 20 10 DGCDRN Cc1nc(C(=O)NCCCSc2nccs2)sc1C ZINC000770485206 622638307 /nfs/dbraw/zinc/63/83/07/622638307.db2.gz SAIMSIPFGKNOCD-UHFFFAOYSA-N 0 0 313.473 3.129 20 10 DGCDRN C/C=C(/C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000770513261 622641569 /nfs/dbraw/zinc/64/15/69/622641569.db2.gz MOVBQQVVCCAZEX-JYOAFUTRSA-N 0 0 305.333 3.367 20 10 DGCDRN CC(C)c1n[nH]cc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000770743252 622665771 /nfs/dbraw/zinc/66/57/71/622665771.db2.gz HXOHSFLPZUUJRV-GFCCVEGCSA-N 0 0 300.406 3.090 20 10 DGCDRN O=C(C1=CC(=O)CS1)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000770955795 622695469 /nfs/dbraw/zinc/69/54/69/622695469.db2.gz PMTZLDBWIHUIDV-GFCCVEGCSA-N 0 0 323.439 3.337 20 10 DGCDRN CN(Cc1cc2ccccc2o1)C(=O)c1c(F)ccc(O)c1O ZINC000789988960 625591478 /nfs/dbraw/zinc/59/14/78/625591478.db2.gz CQFUJHGKPVLVEO-UHFFFAOYSA-N 0 0 315.300 3.255 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2nc(Cl)cs2)c1 ZINC000789995374 625591698 /nfs/dbraw/zinc/59/16/98/625591698.db2.gz HTWDNWJUNKZLFR-SSDOTTSWSA-N 0 0 312.778 3.002 20 10 DGCDRN CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)C1=CC(=O)CS1 ZINC000771417364 622757020 /nfs/dbraw/zinc/75/70/20/622757020.db2.gz HWDMHZFXUASBNA-YMTOWFKASA-N 0 0 309.362 3.099 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC(C)(C)C(C)(C)O)cc1 ZINC000771485555 622766312 /nfs/dbraw/zinc/76/63/12/622766312.db2.gz ICYAWGAXVNDLAY-UHFFFAOYSA-N 0 0 314.429 3.373 20 10 DGCDRN COc1cc(N(C)Cc2ccc(N3CCCCC3)cc2)ncn1 ZINC000771952776 622823140 /nfs/dbraw/zinc/82/31/40/622823140.db2.gz UOFZYWOBAJWTET-UHFFFAOYSA-N 0 0 312.417 3.112 20 10 DGCDRN CC(C)(O)C[C@H](O)CNc1ccc(Nc2ccccc2)cc1 ZINC000872210258 622857909 /nfs/dbraw/zinc/85/79/09/622857909.db2.gz SOJCAOOLQYHREM-KRWDZBQOSA-N 0 0 300.402 3.364 20 10 DGCDRN COc1cc2nc(-c3ccc(N4CCOCC4)cc3)[nH]c2cc1C ZINC000772176982 622861866 /nfs/dbraw/zinc/86/18/66/622861866.db2.gz IQXOGDMDIQQPFS-UHFFFAOYSA-N 0 0 323.396 3.384 20 10 DGCDRN CC(C)(CNC(=O)c1c(F)ccc(O)c1O)c1cccc(F)c1 ZINC000790071512 625600924 /nfs/dbraw/zinc/60/09/24/625600924.db2.gz VZINBPYHMQNMBB-UHFFFAOYSA-N 0 0 321.323 3.084 20 10 DGCDRN CCn1nccc1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000772941486 622955744 /nfs/dbraw/zinc/95/57/44/622955744.db2.gz MRENWBIWNLANSQ-UHFFFAOYSA-N 0 0 314.433 3.020 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)COC1(C)CCC1 ZINC000772998544 622962968 /nfs/dbraw/zinc/96/29/68/622962968.db2.gz MILMMNOTLDVFBP-UHFFFAOYSA-N 0 0 318.461 3.449 20 10 DGCDRN Cc1ccn2cc(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)nc2c1 ZINC000773010965 622965695 /nfs/dbraw/zinc/96/56/95/622965695.db2.gz UTHVKSIYLUUXMM-AWEZNQCLSA-N 0 0 322.412 3.200 20 10 DGCDRN C[C@@H](NC(=O)[C@@H]1COc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000773013279 622967242 /nfs/dbraw/zinc/96/72/42/622967242.db2.gz KANPXLUUIUDCHJ-PBHICJAKSA-N 0 0 324.424 3.181 20 10 DGCDRN CC[C@@H]1C[C@@H](C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000773017140 622968032 /nfs/dbraw/zinc/96/80/32/622968032.db2.gz UJHMQONJNASWMZ-UKPHBRMFSA-N 0 0 304.434 3.135 20 10 DGCDRN C[C@@H](NC(=O)c1cc(Cl)ccn1)c1ccc(N(C)C)cc1 ZINC000773015612 622968135 /nfs/dbraw/zinc/96/81/35/622968135.db2.gz QSBYTXRPUSQYMV-LLVKDONJSA-N 0 0 303.793 3.292 20 10 DGCDRN C[C@H](NS(=O)(=O)CC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000773089062 622981878 /nfs/dbraw/zinc/98/18/78/622981878.db2.gz QZFAHXBSXUIIHS-AWEZNQCLSA-N 0 0 324.490 3.313 20 10 DGCDRN CCN1C(=O)/C(=C/c2ccn(-c3ccccc3)n2)SC1=S ZINC000773153638 622992966 /nfs/dbraw/zinc/99/29/66/622992966.db2.gz VUHDQBQFNASNCB-RAXLEYEMSA-N 0 0 315.423 3.093 20 10 DGCDRN Cc1ccc(NC(=S)NCc2ccc(OC(F)F)cn2)cc1 ZINC000773196918 622998108 /nfs/dbraw/zinc/99/81/08/622998108.db2.gz INRUTNPLVQGPBJ-UHFFFAOYSA-N 0 0 323.368 3.478 20 10 DGCDRN Cc1occc1CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773228463 623002379 /nfs/dbraw/zinc/00/23/79/623002379.db2.gz HLSNDMWKKSHJEG-GFCCVEGCSA-N 0 0 301.390 3.214 20 10 DGCDRN CS[C@@H](C)CCC(=O)NCc1ccc2c(c1)CCCN2C ZINC000773291903 623008348 /nfs/dbraw/zinc/00/83/48/623008348.db2.gz HPRKHXXPJVXLQL-ZDUSSCGKSA-N 0 0 306.475 3.217 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1CCC(F)(F)C1)c1ccc(N(C)C)cc1 ZINC000773393510 623021703 /nfs/dbraw/zinc/02/17/03/623021703.db2.gz WWYYZWGASMJJIU-WCQYABFASA-N 0 0 311.376 3.301 20 10 DGCDRN CCN(CC)c1ccc(CN(C)Cc2nnc(C)s2)cc1 ZINC000773409664 623024336 /nfs/dbraw/zinc/02/43/36/623024336.db2.gz OFTNCKPWFLLYRL-UHFFFAOYSA-N 0 0 304.463 3.325 20 10 DGCDRN C[C@H](NC(=O)N(C)Cc1ccoc1)c1ccc(N(C)C)cc1 ZINC000773615336 623051728 /nfs/dbraw/zinc/05/17/28/623051728.db2.gz WANXSHPIMSCSPY-ZDUSSCGKSA-N 0 0 301.390 3.248 20 10 DGCDRN C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](F)C1)c1ccc(N(C)C)cc1 ZINC000773616379 623051916 /nfs/dbraw/zinc/05/19/16/623051916.db2.gz JUYDCYOSXOEWSS-WWGRRREGSA-N 0 0 307.413 3.203 20 10 DGCDRN C[C@H](NC(=O)N1CCC2(CCC2)C1)c1ccc(N(C)C)cc1 ZINC000773614915 623051922 /nfs/dbraw/zinc/05/19/22/623051922.db2.gz UQIRGMFQHHZFES-AWEZNQCLSA-N 0 0 301.434 3.399 20 10 DGCDRN C[C@H](NC(=O)N1C[C@@H](C)S[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773624470 623052139 /nfs/dbraw/zinc/05/21/39/623052139.db2.gz MOEGYEHZLSWTRP-MCIONIFRSA-N 0 0 321.490 3.349 20 10 DGCDRN C[C@@H](NC(=O)N1C[C@@H](C)S[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773624471 623052500 /nfs/dbraw/zinc/05/25/00/623052500.db2.gz MOEGYEHZLSWTRP-MGPQQGTHSA-N 0 0 321.490 3.349 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1CCCC[C@@H]1C ZINC000773744864 623066272 /nfs/dbraw/zinc/06/62/72/623066272.db2.gz FLUGWYMZKOMURS-GZBFAFLISA-N 0 0 305.418 3.361 20 10 DGCDRN Cc1cccc([C@H](C)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000773748292 623066486 /nfs/dbraw/zinc/06/64/86/623066486.db2.gz JLUXKJWPLAJLHL-KBPBESRZSA-N 0 0 313.397 3.257 20 10 DGCDRN CC(=O)CCCCCCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000773744198 623066681 /nfs/dbraw/zinc/06/66/81/623066681.db2.gz PGCUXMBDIGILKV-ZDUSSCGKSA-N 0 0 321.417 3.075 20 10 DGCDRN CCN(C)c1ccc(CN2C[C@H](C(F)(F)F)O[C@@H](C)C2)cc1 ZINC000773753243 623067233 /nfs/dbraw/zinc/06/72/33/623067233.db2.gz DWACBFAVOSYZIA-SWLSCSKDSA-N 0 0 316.367 3.294 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C2CC(Nc3ccccc3)C2)c1 ZINC000873191418 623068416 /nfs/dbraw/zinc/06/84/16/623068416.db2.gz TUXMZNSUEMDKPO-UHFFFAOYSA-N 0 0 313.357 3.033 20 10 DGCDRN CCN(C)c1ccc(CNC2(C(=O)OC)CCCCC2)cc1 ZINC000773754610 623069307 /nfs/dbraw/zinc/06/93/07/623069307.db2.gz QWHDSKLBAAOZCR-UHFFFAOYSA-N 0 0 304.434 3.108 20 10 DGCDRN CCN(C)c1ccc(CN([C@@H](C)C(=O)OC)C2CCC2)cc1 ZINC000773888886 623085483 /nfs/dbraw/zinc/08/54/83/623085483.db2.gz RWMQGGDCKNIKEG-AWEZNQCLSA-N 0 0 304.434 3.059 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(Cl)nc1)c1ccc(N(C)C)cc1 ZINC000773988525 623097044 /nfs/dbraw/zinc/09/70/44/623097044.db2.gz LTJUZMNLNARMBE-LLVKDONJSA-N 0 0 303.793 3.292 20 10 DGCDRN Cc1cncc(/C=C/C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773995316 623097644 /nfs/dbraw/zinc/09/76/44/623097644.db2.gz TZXWIXFNRWHVRL-HYJLXUOHSA-N 0 0 309.413 3.347 20 10 DGCDRN C[C@@H](NC(=S)NCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000774259299 623125606 /nfs/dbraw/zinc/12/56/06/623125606.db2.gz VZVIKIFPZUATEJ-CQSZACIVSA-N 0 0 313.470 3.478 20 10 DGCDRN C[C@@H]([NH2+]CCc1ccn(C)n1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774354604 623135676 /nfs/dbraw/zinc/13/56/76/623135676.db2.gz AEVDJYWWEMKLNW-SECBINFHSA-N 0 0 314.216 3.326 20 10 DGCDRN C[C@@H]([NH2+][C@@H](CO)CC(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000774381350 623138220 /nfs/dbraw/zinc/13/82/20/623138220.db2.gz MGMJIXDGDKSOQI-RNFRBKRXSA-N 0 0 314.159 3.366 20 10 DGCDRN Cn1c(-c2ccccc2)cnc1SCO[C@@H]1CCCOC1 ZINC000882070374 625624810 /nfs/dbraw/zinc/62/48/10/625624810.db2.gz MVQASDHKADQGIG-CQSZACIVSA-N 0 0 304.415 3.332 20 10 DGCDRN CC(C)CN1CC(=O)N[C@@H]1c1cc(Cl)c2ccccc2c1O ZINC000774545889 623158872 /nfs/dbraw/zinc/15/88/72/623158872.db2.gz BLTDPANALQVSGY-KRWDZBQOSA-N 0 0 318.804 3.285 20 10 DGCDRN CCOC1(C(=O)NCc2ccc(N(CC)CC)cc2)CCCC1 ZINC000790279509 625626927 /nfs/dbraw/zinc/62/69/27/625626927.db2.gz QXBXEUVJJWKJPO-UHFFFAOYSA-N 0 0 318.461 3.498 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C[C@@H]1CC1(Cl)Cl ZINC000774753780 623187506 /nfs/dbraw/zinc/18/75/06/623187506.db2.gz OHDZECOZWXOGOG-JTQLQIEISA-N 0 0 301.217 3.145 20 10 DGCDRN COc1c([O-])c(C[N@H+]([C@H](C)C(C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000774822361 623196610 /nfs/dbraw/zinc/19/66/10/623196610.db2.gz WDJQESLTMNCGFY-LLVKDONJSA-N 0 0 308.378 3.318 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000774888664 623205924 /nfs/dbraw/zinc/20/59/24/623205924.db2.gz RTOBALZHAQPIEK-DYEKYZERSA-N 0 0 320.389 3.462 20 10 DGCDRN COc1c(O)c(CNc2cccc(F)c2C)ccc1[N+](=O)[O-] ZINC000774928796 623208569 /nfs/dbraw/zinc/20/85/69/623208569.db2.gz LGMPVWFPMRXFFJ-UHFFFAOYSA-N 0 0 306.293 3.369 20 10 DGCDRN COc1c(O)c(CN(C)c2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000775056967 623222874 /nfs/dbraw/zinc/22/28/74/623222874.db2.gz ONFFMLJAULFVQP-UHFFFAOYSA-N 0 0 302.330 3.254 20 10 DGCDRN C[C@@H](OC(=O)c1cccc(O)c1O)c1nccn1-c1ccccc1 ZINC000805532903 623231649 /nfs/dbraw/zinc/23/16/49/623231649.db2.gz UWQUHECZEWRSAP-GFCCVEGCSA-N 0 0 324.336 3.202 20 10 DGCDRN Cc1ccc(O)c(C[NH2+]Cc2cccc(Br)c2[O-])c1 ZINC000775152267 623235534 /nfs/dbraw/zinc/23/55/34/623235534.db2.gz NCBJFRRRROLEKX-UHFFFAOYSA-N 0 0 322.202 3.459 20 10 DGCDRN [O-]c1c(Br)cccc1C[NH2+]C1CC(C(F)F)C1 ZINC000775152065 623235601 /nfs/dbraw/zinc/23/56/01/623235601.db2.gz JUCIHXQKBYVVOL-UHFFFAOYSA-N 0 0 306.150 3.288 20 10 DGCDRN O=C(/C=C/c1cccnc1)N1CCN(C2CC2)c2cc(F)ccc21 ZINC000775230463 623243487 /nfs/dbraw/zinc/24/34/87/623243487.db2.gz ATJOVZRIIRFPDP-FPYGCLRLSA-N 0 0 323.371 3.250 20 10 DGCDRN CCCN(CCC)S(=O)(=O)Nc1cc(C)c(O)c(C)c1C ZINC000775291822 623250060 /nfs/dbraw/zinc/25/00/60/623250060.db2.gz POHLWETWUDASBS-UHFFFAOYSA-N 0 0 314.451 3.096 20 10 DGCDRN CCc1onc(C)c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775403108 623269602 /nfs/dbraw/zinc/26/96/02/623269602.db2.gz GLUVBVKDEXHEIK-LLVKDONJSA-N 0 0 301.390 3.102 20 10 DGCDRN C[C@H](NC(=O)c1cccc2c[nH]nc21)c1ccc(N(C)C)cc1 ZINC000775402684 623269709 /nfs/dbraw/zinc/26/97/09/623269709.db2.gz FTZGQJKARDQZTE-LBPRGKRZSA-N 0 0 308.385 3.120 20 10 DGCDRN CCc1onc(C)c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775403109 623269741 /nfs/dbraw/zinc/26/97/41/623269741.db2.gz GLUVBVKDEXHEIK-NSHDSACASA-N 0 0 301.390 3.102 20 10 DGCDRN Cc1[nH]nc(C(C)C)c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775405637 623270277 /nfs/dbraw/zinc/27/02/77/623270277.db2.gz SVTVAJJADWHDFC-LBPRGKRZSA-N 0 0 314.433 3.399 20 10 DGCDRN C[C@H](NC(=O)c1ccc2cc[nH]c2n1)c1ccc(N(C)C)cc1 ZINC000775408726 623270550 /nfs/dbraw/zinc/27/05/50/623270550.db2.gz BIUDNMFYMURJRD-LBPRGKRZSA-N 0 0 308.385 3.120 20 10 DGCDRN Cc1ccncc1/C=C\C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775411191 623270965 /nfs/dbraw/zinc/27/09/65/623270965.db2.gz PINOUOZTIFNYDD-YYRKOSNBSA-N 0 0 309.413 3.347 20 10 DGCDRN CC(=O)c1ccc(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775411132 623270976 /nfs/dbraw/zinc/27/09/76/623270976.db2.gz OUVFKCXRWYGMJO-AWEZNQCLSA-N 0 0 324.424 3.375 20 10 DGCDRN CC(=O)c1ccccc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775412387 623271847 /nfs/dbraw/zinc/27/18/47/623271847.db2.gz XLSPBHRPBALULE-ZDUSSCGKSA-N 0 0 310.397 3.446 20 10 DGCDRN Oc1ccccc1CNc1ccc2nnc(-c3ccsc3)n2n1 ZINC000775460679 623276768 /nfs/dbraw/zinc/27/67/68/623276768.db2.gz VBWOURXDQVCDAC-UHFFFAOYSA-N 0 0 323.381 3.171 20 10 DGCDRN COC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCCCC1 ZINC000775562369 623289473 /nfs/dbraw/zinc/28/94/73/623289473.db2.gz IACKKZCBBIJJKT-LBPRGKRZSA-N 0 0 308.378 3.300 20 10 DGCDRN COC(=O)c1ccccc1CCN(C)c1ccc(OC)c(F)c1 ZINC000775615748 623296907 /nfs/dbraw/zinc/29/69/07/623296907.db2.gz SIDUGENIXUCXQR-UHFFFAOYSA-N 0 0 317.360 3.300 20 10 DGCDRN COC(=O)CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])CC(C)C ZINC000775653763 623305178 /nfs/dbraw/zinc/30/51/78/623305178.db2.gz BEKAJXWFCHWVEW-UHFFFAOYSA-N 0 0 317.788 3.206 20 10 DGCDRN C[C@@H](NC(=O)Nc1cnn(C(F)F)c1)c1ccc(N(C)C)cc1 ZINC000775706774 623317037 /nfs/dbraw/zinc/31/70/37/623317037.db2.gz DUPCPJVUDAWZPR-SNVBAGLBSA-N 0 0 323.347 3.227 20 10 DGCDRN Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775732224 623320707 /nfs/dbraw/zinc/32/07/07/623320707.db2.gz MKDYLLBLHRJVML-AWEZNQCLSA-N 0 0 323.799 3.428 20 10 DGCDRN COc1ncc(/C=C/C(=O)N(C)c2ccc(C)c(Cl)c2)cn1 ZINC000775854964 623342245 /nfs/dbraw/zinc/34/22/45/623342245.db2.gz YOQVGHWMFIDDSX-FNORWQNLSA-N 0 0 317.776 3.123 20 10 DGCDRN Cc1cc(CNCc2cc(Br)cc(C)c2O)no1 ZINC000776052917 623369801 /nfs/dbraw/zinc/36/98/01/623369801.db2.gz BOLCURQRYGCKTO-UHFFFAOYSA-N 0 0 311.179 3.049 20 10 DGCDRN CC[C@H]1[C@H](C)CCN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000776126286 623381860 /nfs/dbraw/zinc/38/18/60/623381860.db2.gz AWGXRMBSORLITC-PBHICJAKSA-N 0 0 315.461 3.399 20 10 DGCDRN Cc1ccc2nc(C[NH2+]Cc3cccc(Cl)c3[O-])cn2c1 ZINC000776174993 623390826 /nfs/dbraw/zinc/39/08/26/623390826.db2.gz UJYNEEKESXNRFE-UHFFFAOYSA-N 0 0 301.777 3.292 20 10 DGCDRN CN(C)c1ccc(C=C2SC(=O)NC2=O)c(C(F)(F)F)c1 ZINC000874927602 623392080 /nfs/dbraw/zinc/39/20/80/623392080.db2.gz FKEFBFAQUIYTRH-BJMVGYQFSA-N 0 0 316.304 3.095 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C1(CCO)CCCCC1 ZINC000776232747 623400114 /nfs/dbraw/zinc/40/01/14/623400114.db2.gz VDPBLXQAZYWNBE-UHFFFAOYSA-N 0 0 301.789 3.360 20 10 DGCDRN CCN(C[C@@H]1CCCO1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776244454 623401125 /nfs/dbraw/zinc/40/11/25/623401125.db2.gz JKNCGHGCYLYRTB-PBHICJAKSA-N 0 0 319.449 3.024 20 10 DGCDRN COc1cccnc1NCc1cc(Br)ccc1O ZINC000776253195 623401688 /nfs/dbraw/zinc/40/16/88/623401688.db2.gz KRKLCGZDBXKCKJ-UHFFFAOYSA-N 0 0 309.163 3.170 20 10 DGCDRN CC(C)[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC000776254686 623402578 /nfs/dbraw/zinc/40/25/78/623402578.db2.gz KIPMYBUXMAKXIP-TZMCWYRMSA-N 0 0 301.789 3.478 20 10 DGCDRN CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC000776254682 623402591 /nfs/dbraw/zinc/40/25/91/623402591.db2.gz KIPMYBUXMAKXIP-JSGCOSHPSA-N 0 0 301.789 3.478 20 10 DGCDRN COc1ccccc1[C@H](C)NC(=O)N1Cc2cccc(O)c2C1 ZINC000874995227 623405344 /nfs/dbraw/zinc/40/53/44/623405344.db2.gz JDGNUCFGESSPTQ-LBPRGKRZSA-N 0 0 312.369 3.187 20 10 DGCDRN O=C(NCCCSc1ccc(F)cc1)c1cccc(O)c1O ZINC000776327223 623412149 /nfs/dbraw/zinc/41/21/49/623412149.db2.gz HODXLJWDTYULAX-UHFFFAOYSA-N 0 0 321.373 3.149 20 10 DGCDRN CCOc1ccc(CNC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000875152783 623422838 /nfs/dbraw/zinc/42/28/38/623422838.db2.gz RDHSQEMSENAMLL-ZDUSSCGKSA-N 0 0 314.385 3.351 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1CCc2ccccc2C1)c1ccccc1O ZINC000875192301 623425913 /nfs/dbraw/zinc/42/59/13/623425913.db2.gz QKUREHONWMASEU-XJKSGUPXSA-N 0 0 310.397 3.310 20 10 DGCDRN CC[C@H](Cc1ccccc1)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875222230 623427971 /nfs/dbraw/zinc/42/79/71/623427971.db2.gz DUHKBHYYWNBNAN-MRXNPFEDSA-N 0 0 310.397 3.439 20 10 DGCDRN CCN(C(=O)NCc1ccc(N(C)C)c(F)c1)C1CCCC1 ZINC000125342004 623430931 /nfs/dbraw/zinc/43/09/31/623430931.db2.gz AYKMIMHGHGRYCE-UHFFFAOYSA-N 0 0 307.413 3.366 20 10 DGCDRN CCc1cccc2c(CCNC(=O)c3cccc(O)c3O)c[nH]c21 ZINC000776652009 623448865 /nfs/dbraw/zinc/44/88/65/623448865.db2.gz NAEFBMQWVTXRPR-UHFFFAOYSA-N 0 0 324.380 3.114 20 10 DGCDRN CC[C@H](NC(=O)c1cccc(O)c1O)c1ccc(F)cc1F ZINC000776658885 623449520 /nfs/dbraw/zinc/44/95/20/623449520.db2.gz YROADHDDWNARQS-ZDUSSCGKSA-N 0 0 307.296 3.257 20 10 DGCDRN C[C@@H](NC(=O)NC1(C)CC(F)(F)C1)c1ccc(N(C)C)cc1 ZINC000875507740 623457268 /nfs/dbraw/zinc/45/72/68/623457268.db2.gz IYXKOLBLYQKPQK-LLVKDONJSA-N 0 0 311.376 3.301 20 10 DGCDRN c1nncn1CN1CCCc2cc(OCc3ccccc3)ccc21 ZINC000776763308 623460807 /nfs/dbraw/zinc/46/08/07/623460807.db2.gz QVLHGQLMUQAURM-UHFFFAOYSA-N 0 0 320.396 3.267 20 10 DGCDRN Cc1ccccc1[C@@H]1C[C@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000875691826 623480644 /nfs/dbraw/zinc/48/06/44/623480644.db2.gz DTCKHGLQSZOBJM-DOTOQJQBSA-N 0 0 308.381 3.282 20 10 DGCDRN Oc1cc2c(cc1CN1CCc3cc(Cl)ccc3C1)OCO2 ZINC000790441937 625655050 /nfs/dbraw/zinc/65/50/50/625655050.db2.gz RWLDBOOZPNSIRW-UHFFFAOYSA-N 0 0 317.772 3.333 20 10 DGCDRN Cc1cc(C)nc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000125665068 623508855 /nfs/dbraw/zinc/50/88/55/623508855.db2.gz NTEXCOOLBHCKLR-UHFFFAOYSA-N 0 0 322.412 3.396 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1coc(C2CC2)n1 ZINC000777273747 623509865 /nfs/dbraw/zinc/50/98/65/623509865.db2.gz FFNNPGJRJCPLEX-UHFFFAOYSA-N 0 0 312.369 3.066 20 10 DGCDRN Cc1cc(C(=O)NCc2ccno2)c(C)n1-c1cccc(C)c1 ZINC000777779244 623566380 /nfs/dbraw/zinc/56/63/80/623566380.db2.gz HSPXNOMLOHWERM-UHFFFAOYSA-N 0 0 309.369 3.321 20 10 DGCDRN C[C@@H]1CCN2[C@H](C1)C(=O)N[C@H]2c1cc(-c2ccccc2)ccc1O ZINC000777901499 623582988 /nfs/dbraw/zinc/58/29/88/623582988.db2.gz YXWDROSLVMXRIN-OMWUSAIZSA-N 0 0 322.408 3.288 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCn2ccnc2C1 ZINC000778190022 623621916 /nfs/dbraw/zinc/62/19/16/623621916.db2.gz USDLYOYZHKWBAI-NSHDSACASA-N 0 0 312.200 3.000 20 10 DGCDRN CC(C)(CC(=O)NCCc1ccc(N)cc1)c1ccc(F)cc1 ZINC000876528771 623634658 /nfs/dbraw/zinc/63/46/58/623634658.db2.gz YSHHGPLUCMLORK-UHFFFAOYSA-N 0 0 314.404 3.435 20 10 DGCDRN COc1cc(F)cc(OC)c1CN(C)Cc1ccccc1O ZINC000876615382 623660385 /nfs/dbraw/zinc/66/03/85/623660385.db2.gz CPPIOZNTYNHDCI-UHFFFAOYSA-N 0 0 305.349 3.181 20 10 DGCDRN Cc1cccc2c1C[C@H](C(=O)NCc1ccc(N(C)C)cc1C)N2 ZINC000876768411 623701346 /nfs/dbraw/zinc/70/13/46/623701346.db2.gz VLMYXFACNCADKR-LJQANCHMSA-N 0 0 323.440 3.022 20 10 DGCDRN COCCOc1ccc(NCc2c(C)cccc2O)cc1F ZINC000876823168 623719061 /nfs/dbraw/zinc/71/90/61/623719061.db2.gz AHACQBDCNLYURC-UHFFFAOYSA-N 0 0 305.349 3.477 20 10 DGCDRN COC(=O)[C@@H](NCc1cc(Cl)ccc1O)c1ccccc1F ZINC000779179703 623739141 /nfs/dbraw/zinc/73/91/41/623739141.db2.gz XOEGSILZEPOKFU-HNNXBMFYSA-N 0 0 323.751 3.189 20 10 DGCDRN Cc1ccc(C[NH2+]C2CCN(CCc3ccccc3)CC2)c(O)c1 ZINC000876920356 623744156 /nfs/dbraw/zinc/74/41/56/623744156.db2.gz OUVDZVXFYWTCOS-UHFFFAOYSA-N 0 0 324.468 3.497 20 10 DGCDRN COc1cccc(O)c1CN1CCN(C2CC2)c2ccccc21 ZINC000779225296 623744180 /nfs/dbraw/zinc/74/41/80/623744180.db2.gz OGGNJWGFIFPJSI-UHFFFAOYSA-N 0 0 310.397 3.390 20 10 DGCDRN CCC[C@@H](CC)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000126242627 623751926 /nfs/dbraw/zinc/75/19/26/623751926.db2.gz SWIDXYYMCXLPPV-MRXNPFEDSA-N 0 0 301.434 3.441 20 10 DGCDRN COCc1cc(C[NH2+]Cc2ccc(F)c(F)c2[O-])ccc1F ZINC000877010190 623765782 /nfs/dbraw/zinc/76/57/82/623765782.db2.gz OZBXMOQTIACPMH-UHFFFAOYSA-N 0 0 311.303 3.246 20 10 DGCDRN COc1cccc2ncnc(NCc3ccc(N(C)C)cc3)c21 ZINC000779427630 623768680 /nfs/dbraw/zinc/76/86/80/623768680.db2.gz FWEBIJNKHYRLSU-UHFFFAOYSA-N 0 0 308.385 3.317 20 10 DGCDRN [O-]c1c(C[NH2+]C[C@H]2CCOc3ccccc32)ccc(F)c1F ZINC000877024709 623769208 /nfs/dbraw/zinc/76/92/08/623769208.db2.gz MFIXZAKOPGECSO-LLVKDONJSA-N 0 0 305.324 3.326 20 10 DGCDRN Cc1ccc2c(c1)CCCN2C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779475081 623774057 /nfs/dbraw/zinc/77/40/57/623774057.db2.gz IFGWOMLPINJJNJ-RMKNXTFCSA-N 0 0 309.365 3.399 20 10 DGCDRN C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)Cc2ccccc21 ZINC000779489569 623774227 /nfs/dbraw/zinc/77/42/27/623774227.db2.gz QPXUCLZRJJFPTD-BUUCAEBMSA-N 0 0 309.365 3.257 20 10 DGCDRN C[C@]1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCCc2ccccc21 ZINC000779509718 623775847 /nfs/dbraw/zinc/77/58/47/623775847.db2.gz HKSFKUSFBHLNHZ-BQYDLMEBSA-N 0 0 323.392 3.479 20 10 DGCDRN CN(C)c1ccc(CNc2nncn2-c2ccccc2)cc1F ZINC000779520256 623776555 /nfs/dbraw/zinc/77/65/55/623776555.db2.gz MLXMDSLDMSZZPO-UHFFFAOYSA-N 0 0 311.364 3.085 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCc1coc2ccccc12 ZINC000779521255 623776875 /nfs/dbraw/zinc/77/68/75/623776875.db2.gz LSMWUGCWRGQQOO-SOFGYWHQSA-N 0 0 309.321 3.174 20 10 DGCDRN C[C@@H]1CCCC[C@H]1CCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779519418 623776896 /nfs/dbraw/zinc/77/68/96/623776896.db2.gz DCLNWKUXFWMKBP-GMTGPXDGSA-N 0 0 303.402 3.444 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCCC1Cc2ccccc2C1 ZINC000779542232 623777856 /nfs/dbraw/zinc/77/78/56/623777856.db2.gz NJWMRXBVMLXVFF-SOFGYWHQSA-N 0 0 323.392 3.032 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC(=O)[C@H](C)C1 ZINC000779547270 623778157 /nfs/dbraw/zinc/77/81/57/623778157.db2.gz NRIMWLCGAUUEPQ-CQSZACIVSA-N 0 0 324.424 3.454 20 10 DGCDRN Cc1cccc([C@@H]2CCCN2C(=O)/C=C/c2ccc(O)c(O)c2)n1 ZINC000779535455 623778253 /nfs/dbraw/zinc/77/82/53/623778253.db2.gz XICUQWNLUJDLSS-DZZUKKPASA-N 0 0 324.380 3.178 20 10 DGCDRN COc1ccccc1O[C@@H](C)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877073571 623784461 /nfs/dbraw/zinc/78/44/61/623784461.db2.gz NNGYPWVEMCZHJX-NSHDSACASA-N 0 0 323.339 3.236 20 10 DGCDRN Cc1nc(CC2CC2)sc1C(=O)N(C)c1ccc(N)cc1 ZINC000877076283 623785352 /nfs/dbraw/zinc/78/53/52/623785352.db2.gz PGHBUDNNIWCQMW-UHFFFAOYSA-N 0 0 301.415 3.263 20 10 DGCDRN CSc1ccc(N(C)C(=O)/C=C\c2cncc(O)c2)cc1 ZINC000779665016 623785594 /nfs/dbraw/zinc/78/55/94/623785594.db2.gz OGRQDIXRHAQUFW-BAQGIRSFSA-N 0 0 300.383 3.185 20 10 DGCDRN Cc1nc2c(cnn2C(C)C)cc1C(=O)N(C)c1ccc(N)cc1 ZINC000877077352 623785860 /nfs/dbraw/zinc/78/58/60/623785860.db2.gz DZJOCAYXKRLCGK-UHFFFAOYSA-N 0 0 323.400 3.179 20 10 DGCDRN CC/C(C)=C(\C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000779717463 623790059 /nfs/dbraw/zinc/79/00/59/623790059.db2.gz BOBKTLVPRNFMIR-CCEZHUSRSA-N 0 0 302.418 3.090 20 10 DGCDRN CN1CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2[O-])[C@H]1c1ccccc1 ZINC000877127442 623797828 /nfs/dbraw/zinc/79/78/28/623797828.db2.gz HDMDQDNOGXKUSN-NVXWUHKLSA-N 0 0 318.367 3.205 20 10 DGCDRN CC[C@H](C)[C@@H](C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000779875580 623825179 /nfs/dbraw/zinc/82/51/79/623825179.db2.gz ZZSMBTIWHMUNDI-ARFHVFGLSA-N 0 0 318.461 3.383 20 10 DGCDRN CCC[C@H]1C[C@@H](C(=O)NCc2ccc(N(C)C)cc2C)CCO1 ZINC000779916580 623832398 /nfs/dbraw/zinc/83/23/98/623832398.db2.gz UMHDURKBNNKSRZ-YJBOKZPZSA-N 0 0 318.461 3.273 20 10 DGCDRN CN(C)c1ccc(CN[C@@H](c2ncc[nH]2)c2ccccc2)cc1F ZINC000126431401 623834388 /nfs/dbraw/zinc/83/43/88/623834388.db2.gz NQNGGFZNAYDTKL-GOSISDBHSA-N 0 0 324.403 3.494 20 10 DGCDRN COc1ccc(N(C)Cc2cncc(OC)c2C)cc1OC ZINC000877343119 623856399 /nfs/dbraw/zinc/85/63/99/623856399.db2.gz VNIJXGXTFYBVCA-UHFFFAOYSA-N 0 0 302.374 3.052 20 10 DGCDRN Oc1c(Br)cccc1CNc1cc(C2CC2)ncn1 ZINC000882268821 625681796 /nfs/dbraw/zinc/68/17/96/625681796.db2.gz CUQSYQVRLWGVKF-UHFFFAOYSA-N 0 0 320.190 3.434 20 10 DGCDRN O=C(CSc1nccs1)c1ccc(N2CCOC2=O)cc1 ZINC000126548995 623902020 /nfs/dbraw/zinc/90/20/20/623902020.db2.gz XHQLUKNEJABQSW-UHFFFAOYSA-N 0 0 320.395 3.075 20 10 DGCDRN Cc1cccc(O)c1C[N@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000877494740 623911267 /nfs/dbraw/zinc/91/12/67/623911267.db2.gz SMVMNZPHRFKSGF-MRXNPFEDSA-N 0 0 324.424 3.186 20 10 DGCDRN COc1cc(C)ccc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000780517590 623943418 /nfs/dbraw/zinc/94/34/18/623943418.db2.gz JVEJDKIFDGNSCH-UHFFFAOYSA-N 0 0 324.424 3.316 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1cn2cccc(F)c2n1 ZINC000780766842 623981334 /nfs/dbraw/zinc/98/13/34/623981334.db2.gz NIWBWLGGVNINMJ-UHFFFAOYSA-N 0 0 311.360 3.435 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)c(O)c1O ZINC000780861458 623990532 /nfs/dbraw/zinc/99/05/32/623990532.db2.gz KWZLVQQRCBCLAZ-UHFFFAOYSA-N 0 0 312.369 3.259 20 10 DGCDRN C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000877697616 623995790 /nfs/dbraw/zinc/99/57/90/623995790.db2.gz PEPITCGZVVYZON-QGZVFWFLSA-N 0 0 323.795 3.268 20 10 DGCDRN COc1c(Cl)cccc1NC(=O)c1ccc(C)c(O)c1O ZINC000780907850 623996413 /nfs/dbraw/zinc/99/64/13/623996413.db2.gz PEWYXGLTLIQSLJ-UHFFFAOYSA-N 0 0 307.733 3.321 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccnn2-c2ccccc2C)c(O)c1O ZINC000780936882 624000671 /nfs/dbraw/zinc/00/06/71/624000671.db2.gz FEQPXIRQDMJJKE-UHFFFAOYSA-N 0 0 323.352 3.153 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000877711054 624001009 /nfs/dbraw/zinc/00/10/09/624001009.db2.gz VOSVWSACWJNJCJ-MEDUHNTESA-N 0 0 313.800 3.480 20 10 DGCDRN Cc1ccc(C(=O)N[C@H](C(C)(C)C)C(F)(F)F)c(O)c1O ZINC000780953729 624002760 /nfs/dbraw/zinc/00/27/60/624002760.db2.gz IJUXTQTUILVODG-GFCCVEGCSA-N 0 0 305.296 3.113 20 10 DGCDRN COc1cccc(O)c1CNc1cccc2c1OCCCO2 ZINC000877768109 624028506 /nfs/dbraw/zinc/02/85/06/624028506.db2.gz KDBMHNFOIIPJJP-UHFFFAOYSA-N 0 0 301.342 3.174 20 10 DGCDRN CCC[C@](C)(O)C[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000781630961 624110211 /nfs/dbraw/zinc/11/02/11/624110211.db2.gz YRXBRXXGQMZTOA-AWEZNQCLSA-N 0 0 316.239 3.104 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@]2(C)CCCOC2)c1 ZINC000781638648 624111928 /nfs/dbraw/zinc/11/19/28/624111928.db2.gz MWVCBMHZZPCQEF-AWEZNQCLSA-N 0 0 314.223 3.122 20 10 DGCDRN Cc1cnc(Cl)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000877974711 624120171 /nfs/dbraw/zinc/12/01/71/624120171.db2.gz AQWORERKRUJWAB-UHFFFAOYSA-N 0 0 317.820 3.382 20 10 DGCDRN Cc1cc(=O)n(Cc2ccc(N(C)C)cc2)cc1C(F)(F)F ZINC000882341951 625702595 /nfs/dbraw/zinc/70/25/95/625702595.db2.gz SLRBUPNOBHJCAR-UHFFFAOYSA-N 0 0 310.319 3.290 20 10 DGCDRN CCCc1nnc(NC(=O)N[C@@H](C)c2ccccc2O)s1 ZINC000878016264 624135683 /nfs/dbraw/zinc/13/56/83/624135683.db2.gz SMWYZOXMSOUJHT-VIFPVBQESA-N 0 0 306.391 3.079 20 10 DGCDRN C[C@H](c1ccncc1)N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000126849588 624140743 /nfs/dbraw/zinc/14/07/43/624140743.db2.gz VUVLENMCBXDJSA-CQSZACIVSA-N 0 0 312.417 3.050 20 10 DGCDRN C[C@@H](c1cccnc1)N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000126865683 624143765 /nfs/dbraw/zinc/14/37/65/624143765.db2.gz AVIADGJIXNGWFK-AWEZNQCLSA-N 0 0 312.417 3.050 20 10 DGCDRN CC1(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CCCC1 ZINC000126868904 624144857 /nfs/dbraw/zinc/14/48/57/624144857.db2.gz LKYOHBCGRJMWEC-UHFFFAOYSA-N 0 0 313.445 3.442 20 10 DGCDRN Cc1cc(Br)c(O)c(CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000781892797 624165466 /nfs/dbraw/zinc/16/54/66/624165466.db2.gz DMQYIEVYSZSNHF-PHIMTYICSA-N 0 0 314.223 3.072 20 10 DGCDRN Cc1cc(Br)c(O)c(CN2C[C@@H](C)OC[C@H]2C)c1 ZINC000781896036 624166907 /nfs/dbraw/zinc/16/69/07/624166907.db2.gz GMJHFZOKHPYCSJ-GHMZBOCLSA-N 0 0 314.223 3.072 20 10 DGCDRN Cc1cc(Br)c(O)c(CN2CCO[C@@H](C)[C@H]2C)c1 ZINC000781908686 624168994 /nfs/dbraw/zinc/16/89/94/624168994.db2.gz KXKKEUVQFXMZSF-MNOVXSKESA-N 0 0 314.223 3.072 20 10 DGCDRN COc1cc(N(C)C[C@@H]2CC3(CCC3)CO2)cc(OC)c1OC ZINC000878129973 624180927 /nfs/dbraw/zinc/18/09/27/624180927.db2.gz SVFCPQNFEOSUSS-AWEZNQCLSA-N 0 0 321.417 3.108 20 10 DGCDRN COc1ccc(N(C)Cc2nc(CC3CC3)no2)cc1Cl ZINC000878185619 624205895 /nfs/dbraw/zinc/20/58/95/624205895.db2.gz BKEQENYATKQQCF-UHFFFAOYSA-N 0 0 307.781 3.321 20 10 DGCDRN CCN(CC)c1ccc(CNc2cc(COC)ncn2)cc1F ZINC000782147452 624210376 /nfs/dbraw/zinc/21/03/76/624210376.db2.gz RNPLEKPJYXZWEK-UHFFFAOYSA-N 0 0 318.396 3.220 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cncc2[nH]ccc21 ZINC000878218946 624219237 /nfs/dbraw/zinc/21/92/37/624219237.db2.gz DTXPJDXYBBKHSQ-UHFFFAOYSA-N 0 0 320.396 3.093 20 10 DGCDRN COc1ccc2ccc(O)c(CN3CCn4cc(C)nc4C3)c2c1 ZINC000782281557 624233121 /nfs/dbraw/zinc/23/31/21/624233121.db2.gz VFXWVFURBABFBA-UHFFFAOYSA-N 0 0 323.396 3.075 20 10 DGCDRN Oc1ccc(Br)cc1CNc1cc(C2CC2)ncn1 ZINC000882356187 625703376 /nfs/dbraw/zinc/70/33/76/625703376.db2.gz GNMBJVARAFPPFN-UHFFFAOYSA-N 0 0 320.190 3.434 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC(C)(C)O1 ZINC000782368410 624244639 /nfs/dbraw/zinc/24/46/39/624244639.db2.gz FYQVXOURUFCUMZ-KRWDZBQOSA-N 0 0 318.461 3.447 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NCc2nc3c(o2)CCCC3)c1 ZINC000878359905 624255504 /nfs/dbraw/zinc/25/55/04/624255504.db2.gz DLABLNSVFBELFU-LLVKDONJSA-N 0 0 302.374 3.118 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CCc3ncsc3C2)c1O ZINC000782633891 624269004 /nfs/dbraw/zinc/26/90/04/624269004.db2.gz MXSMWVSUURNNMW-UHFFFAOYSA-N 0 0 322.817 3.263 20 10 DGCDRN C[C@@H](NCc1nccn1CC(F)F)c1ccc(N(C)C)cc1 ZINC000878454997 624282421 /nfs/dbraw/zinc/28/24/21/624282421.db2.gz MKBKHGCDYGTDDV-GFCCVEGCSA-N 0 0 308.376 3.065 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cnc2c(c1)CCCC2 ZINC000782839308 624285114 /nfs/dbraw/zinc/28/51/14/624285114.db2.gz KEQYVNNSWRPUNN-VURMDHGXSA-N 0 0 310.353 3.024 20 10 DGCDRN Cc1ccc([C@H]2COCCN2Cc2ccc(N(C)C)c(F)c2)o1 ZINC000127271494 624334222 /nfs/dbraw/zinc/33/42/22/624334222.db2.gz ILOYVHKFVBYLRX-QGZVFWFLSA-N 0 0 318.392 3.367 20 10 DGCDRN Cc1ccc(C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])c(O)c1O ZINC000783345059 624338964 /nfs/dbraw/zinc/33/89/64/624338964.db2.gz QCPIIHVXFKNKHH-SNVBAGLBSA-N 0 0 317.297 3.232 20 10 DGCDRN C[C@@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[n-]1)c1ccccc1O ZINC000783517763 624360864 /nfs/dbraw/zinc/36/08/64/624360864.db2.gz IXWFSWOZFQKEQO-LLVKDONJSA-N 0 0 312.348 3.167 20 10 DGCDRN COc1cccc2c1CCN(Cc1ccc(N(C)C)c(F)c1)C2 ZINC000783595544 624372321 /nfs/dbraw/zinc/37/23/21/624372321.db2.gz SBWZCYXZKHSKCC-UHFFFAOYSA-N 0 0 314.404 3.459 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)C[C@H](C)O)c(C)n1-c1cccc(C)c1 ZINC000783628485 624376444 /nfs/dbraw/zinc/37/64/44/624376444.db2.gz KQGSCEWDMOLVCE-ZFWWWQNUSA-N 0 0 314.429 3.292 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)C[C@H](C)O ZINC000783630836 624377122 /nfs/dbraw/zinc/37/71/22/624377122.db2.gz KZURZIXLLWKUJX-GWCFXTLKSA-N 0 0 306.431 3.045 20 10 DGCDRN Cn1cnc(-c2cccc(NCc3c(O)cccc3Cl)c2)n1 ZINC000783645840 624379136 /nfs/dbraw/zinc/37/91/36/624379136.db2.gz RKOPUGVIVKCRCL-UHFFFAOYSA-N 0 0 314.776 3.453 20 10 DGCDRN CCCCC[C@H](C)CC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783904126 624407190 /nfs/dbraw/zinc/40/71/90/624407190.db2.gz UXYIGGCSWDAFJH-LBPRGKRZSA-N 0 0 308.374 3.430 20 10 DGCDRN O=C(CC1CCCCCC1)OCC(=O)c1ccc(O)c(O)c1 ZINC000784034632 624425744 /nfs/dbraw/zinc/42/57/44/624425744.db2.gz REVHVWJJQDCFPO-UHFFFAOYSA-N 0 0 306.358 3.184 20 10 DGCDRN CCOc1ccc(N(Cc2cc(=O)c(O)co2)CC2CC2)cc1 ZINC000879117495 624431069 /nfs/dbraw/zinc/43/10/69/624431069.db2.gz ULFSLTUHJUJIMO-UHFFFAOYSA-N 0 0 315.369 3.161 20 10 DGCDRN CCOc1ccc(N(CCOC2CCOCC2)CC2CC2)cc1 ZINC000879117657 624431383 /nfs/dbraw/zinc/43/13/83/624431383.db2.gz ZJKVXGGQMQHRLN-UHFFFAOYSA-N 0 0 319.445 3.497 20 10 DGCDRN CCOc1ccc(N(CC2CC2)C[C@@H]2CCc3ncnn32)cc1 ZINC000879117090 624431429 /nfs/dbraw/zinc/43/14/29/624431429.db2.gz IYJNBPMJXJOCLO-INIZCTEOSA-N 0 0 312.417 3.081 20 10 DGCDRN CCOc1cccc(CN(C)c2ccc(OC)c(OC)c2)n1 ZINC000784138853 624443399 /nfs/dbraw/zinc/44/33/99/624443399.db2.gz STMYRBZQLSCETH-UHFFFAOYSA-N 0 0 302.374 3.134 20 10 DGCDRN C[C@H](NC(=O)Nc1ccnn1C(C)(C)C)c1ccccc1O ZINC000879275147 624478715 /nfs/dbraw/zinc/47/87/15/624478715.db2.gz GXKGCIQCGZQFGE-NSHDSACASA-N 0 0 302.378 3.226 20 10 DGCDRN C[C@@H]1C[C@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CO1 ZINC000784312012 624494435 /nfs/dbraw/zinc/49/44/35/624494435.db2.gz HYHIZAHAUVXPPJ-WBVHZDCISA-N 0 0 316.445 3.060 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2c(C)ccn2C)cc1 ZINC000784313435 624494486 /nfs/dbraw/zinc/49/44/86/624494486.db2.gz ZAVGQJAAMIAQSH-UHFFFAOYSA-N 0 0 313.445 3.452 20 10 DGCDRN CCCCCCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000127712003 624524436 /nfs/dbraw/zinc/52/44/36/624524436.db2.gz JSKRCFJNNTWFQQ-UHFFFAOYSA-N 0 0 318.461 3.452 20 10 DGCDRN COC(=O)COc1ccc(N(C)C/C=C/c2ccccc2)cc1 ZINC000784561822 624548227 /nfs/dbraw/zinc/54/82/27/624548227.db2.gz TWTOXLLVEXHMOK-RMKNXTFCSA-N 0 0 311.381 3.388 20 10 DGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCOCC1 ZINC000784940539 624601140 /nfs/dbraw/zinc/60/11/40/624601140.db2.gz ZHROWCDFGMXOIE-QGZVFWFLSA-N 0 0 316.445 3.110 20 10 DGCDRN COc1cc(C)cc(NCc2cc3c(cc2O)OCO3)c1C ZINC000785543396 624684475 /nfs/dbraw/zinc/68/44/75/624684475.db2.gz DHKYHMDROSXPNV-UHFFFAOYSA-N 0 0 301.342 3.358 20 10 DGCDRN COc1ncccc1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000785658131 624709081 /nfs/dbraw/zinc/70/90/81/624709081.db2.gz JEJDSSPHQSESTM-UHFFFAOYSA-N 0 0 311.429 3.321 20 10 DGCDRN COC(=O)C1(NCc2ccc(N(C)C)cc2)CCCCCC1 ZINC000785763270 624729280 /nfs/dbraw/zinc/72/92/80/624729280.db2.gz GFSVFEIEERSTSK-UHFFFAOYSA-N 0 0 304.434 3.108 20 10 DGCDRN Cc1occc1-c1cc(NC(=O)NCc2ccccc2O)no1 ZINC000786205195 624826411 /nfs/dbraw/zinc/82/64/11/624826411.db2.gz GZXZALGSFJJBOW-UHFFFAOYSA-N 0 0 313.313 3.270 20 10 DGCDRN CO[C@H](C)[C@H](C)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000786676893 624938277 /nfs/dbraw/zinc/93/82/77/624938277.db2.gz KWEMXGZXFKEJHM-LSDHHAIUSA-N 0 0 300.402 3.247 20 10 DGCDRN CCOC(CC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])OCC ZINC000786970772 624968718 /nfs/dbraw/zinc/96/87/18/624968718.db2.gz OKZGTHYBFQDERS-SNVBAGLBSA-N 0 0 303.349 3.110 20 10 DGCDRN Cc1cscc1CNC(=O)NCc1ccc(N(C)C)cc1C ZINC000787243958 624991358 /nfs/dbraw/zinc/99/13/58/624991358.db2.gz UOAVVYINUYPASU-UHFFFAOYSA-N 0 0 317.458 3.430 20 10 DGCDRN CCOC(=O)[C@@H](C)N(Cc1cc(Cl)cc(C)c1O)C1CC1 ZINC000787439301 625010627 /nfs/dbraw/zinc/01/06/27/625010627.db2.gz CRSGYOXVEONEFR-LLVKDONJSA-N 0 0 311.809 3.270 20 10 DGCDRN CCOC(=O)[C@H](CC)N(Cc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000787441542 625010796 /nfs/dbraw/zinc/01/07/96/625010796.db2.gz XNXGYEFCHLRTBK-INIZCTEOSA-N 0 0 322.424 3.198 20 10 DGCDRN COC(C)(C)CCOC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000787632097 625025654 /nfs/dbraw/zinc/02/56/54/625025654.db2.gz IWRZQWHQBRSPNT-UHFFFAOYSA-N 0 0 316.401 3.461 20 10 DGCDRN c1cc2cc(NCc3ccc(N4CCOCC4)cc3)ncc2[nH]1 ZINC000787897096 625071821 /nfs/dbraw/zinc/07/18/21/625071821.db2.gz SDKAUEQVKYYIET-UHFFFAOYSA-N 0 0 308.385 3.012 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cccc3c2OCC3(C)C)cc1 ZINC000788728783 625251706 /nfs/dbraw/zinc/25/17/06/625251706.db2.gz RBIOPULXLZZVOA-UHFFFAOYSA-N 0 0 324.424 3.353 20 10 DGCDRN CC(C)[C@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@H](O)C(F)(F)F ZINC000788831922 625276525 /nfs/dbraw/zinc/27/65/25/625276525.db2.gz NXLDEWHYPRVOQC-JQWIXIFHSA-N 0 0 311.731 3.083 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000790948618 625721164 /nfs/dbraw/zinc/72/11/64/625721164.db2.gz CCAHGVRWYYXLCR-NSHDSACASA-N 0 0 307.752 3.278 20 10 DGCDRN O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790962817 625723087 /nfs/dbraw/zinc/72/30/87/625723087.db2.gz TUHHDDMPBHHUBO-LBPRGKRZSA-N 0 0 322.767 3.453 20 10 DGCDRN Oc1ccc(Cl)c(F)c1CNc1ccc(-n2nccn2)cc1 ZINC000790976631 625727335 /nfs/dbraw/zinc/72/73/35/625727335.db2.gz VKQOCIFDIYQTGP-UHFFFAOYSA-N 0 0 318.739 3.378 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCCCCO ZINC000791145315 625755304 /nfs/dbraw/zinc/75/53/04/625755304.db2.gz HUPXVKOKKPPTHM-UHFFFAOYSA-N 0 0 314.429 3.295 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c[nH]c2cccnc12 ZINC000791341510 625780292 /nfs/dbraw/zinc/78/02/92/625780292.db2.gz YWBOAFPXWBJHFD-UHFFFAOYSA-N 0 0 322.412 3.291 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](C)c1ncccc1F ZINC000791389817 625789838 /nfs/dbraw/zinc/78/98/38/625789838.db2.gz XTNWJLDWVWWBEF-CYBMUJFWSA-N 0 0 316.376 3.469 20 10 DGCDRN Cc1cc(O)ccc1NS(=O)(=O)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000882706752 625793895 /nfs/dbraw/zinc/79/38/95/625793895.db2.gz ZGXNAYKRMNYEQW-ZBFHGGJFSA-N 0 0 321.373 3.138 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)O[C@H](C3CC3)C2)c1O ZINC000791560425 625824905 /nfs/dbraw/zinc/82/49/05/625824905.db2.gz VYBPPLHZWBLOOR-HWPZZCPQSA-N 0 0 323.820 3.248 20 10 DGCDRN CCc1c(NC(=O)c2cccc(O)c2O)cnn1C(CC)CC ZINC000791620792 625836836 /nfs/dbraw/zinc/83/68/36/625836836.db2.gz WXHOYPBSHOPSKR-UHFFFAOYSA-N 0 0 317.389 3.470 20 10 DGCDRN O=C1/C(=C/c2cccs2)SC(=S)N1Cc1ccon1 ZINC000130335648 625838851 /nfs/dbraw/zinc/83/88/51/625838851.db2.gz OCQJLKNXKPJBGR-POHAHGRESA-N 0 0 308.409 3.138 20 10 DGCDRN Cc1ccc(/C=C2/SC(=S)N(Cc3ccon3)C2=O)cc1 ZINC000130322405 625839077 /nfs/dbraw/zinc/83/90/77/625839077.db2.gz WKFDQDIQCYCMES-MDWZMJQESA-N 0 0 316.407 3.384 20 10 DGCDRN CN(C)[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])c1cccc(F)c1 ZINC000882878129 625841596 /nfs/dbraw/zinc/84/15/96/625841596.db2.gz RCTLSZTVSDNVDJ-INIZCTEOSA-N 0 0 324.346 3.202 20 10 DGCDRN COc1ccc(CC[NH2+]Cc2cc(F)cc(F)c2[O-])c(OC)c1 ZINC000882942717 625867811 /nfs/dbraw/zinc/86/78/11/625867811.db2.gz NCFACQXCILZQGA-UHFFFAOYSA-N 0 0 323.339 3.020 20 10 DGCDRN COc1ccccc1O[C@H](C)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883019790 625900417 /nfs/dbraw/zinc/90/04/17/625900417.db2.gz CSDCGNASFKUHKL-LLVKDONJSA-N 0 0 323.339 3.236 20 10 DGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)C(=O)c1ccccc1 ZINC000792098397 625909147 /nfs/dbraw/zinc/90/91/47/625909147.db2.gz ZJPJGJCUPJEQDH-UHFFFAOYSA-N 0 0 322.408 3.176 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000792167291 625918680 /nfs/dbraw/zinc/91/86/80/625918680.db2.gz KJNIBSLMHXWTCM-LBPRGKRZSA-N 0 0 312.816 3.245 20 10 DGCDRN CC(C)(C)OC(=O)CCCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883082634 625920565 /nfs/dbraw/zinc/92/05/65/625920565.db2.gz MKICBGFEOPQNGE-UHFFFAOYSA-N 0 0 315.360 3.272 20 10 DGCDRN C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000792180740 625921251 /nfs/dbraw/zinc/92/12/51/625921251.db2.gz STIBFZZSQQDHII-GIPNMCIBSA-N 0 0 301.789 3.166 20 10 DGCDRN CC[C@@H](C)n1ncc(NCc2cc(OC)c(OC)cc2O)c1C ZINC000792193111 625923040 /nfs/dbraw/zinc/92/30/40/625923040.db2.gz QQYLBPYRAYKRIY-LLVKDONJSA-N 0 0 319.405 3.497 20 10 DGCDRN COCCN(Cc1cc(C)ccn1)c1ccc(OC)c(OC)c1 ZINC000792253409 625931463 /nfs/dbraw/zinc/93/14/63/625931463.db2.gz ATIKSHINVOTQPB-UHFFFAOYSA-N 0 0 316.401 3.060 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CC2CC(OC(C)(C)C)C2)cc1 ZINC000792577118 625961039 /nfs/dbraw/zinc/96/10/39/625961039.db2.gz GBRBKYBVLDZZKH-UHFFFAOYSA-N 0 0 318.461 3.353 20 10 DGCDRN Cc1nccc(CN(Cc2ccco2)Cc2ccccc2O)n1 ZINC000796448398 626050902 /nfs/dbraw/zinc/05/09/02/626050902.db2.gz JFLFDFDKCUBSKX-UHFFFAOYSA-N 0 0 309.369 3.286 20 10 DGCDRN CNC(=O)Nc1cc(NCc2ccc(N(C)C)cc2)ccc1F ZINC000796469775 626053509 /nfs/dbraw/zinc/05/35/09/626053509.db2.gz RHIVZQUIPMOJKR-UHFFFAOYSA-N 0 0 316.380 3.255 20 10 DGCDRN COc1ccc(N(CCC(C)C)Cc2cc(=O)c(O)co2)cc1 ZINC000796506212 626056838 /nfs/dbraw/zinc/05/68/38/626056838.db2.gz VRKDUPCIXZFYJO-UHFFFAOYSA-N 0 0 317.385 3.407 20 10 DGCDRN CO[C@H](C)CN(C)CC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000796641950 626069555 /nfs/dbraw/zinc/06/95/55/626069555.db2.gz NHKCWOJAYJUPEB-OAHLLOKOSA-N 0 0 314.429 3.244 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1ccc(F)cc1[O-] ZINC000796665700 626071278 /nfs/dbraw/zinc/07/12/78/626071278.db2.gz KONHLIJPNJECLI-UKRRQHHQSA-N 0 0 317.360 3.412 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1)c1ccc(F)cc1[O-] ZINC000796680636 626072909 /nfs/dbraw/zinc/07/29/09/626072909.db2.gz XJZHWQYZCNCHJB-RHSMWYFYSA-N 0 0 319.376 3.012 20 10 DGCDRN CC[C@@H]([NH2+]CCCOC[C@@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000796781043 626081711 /nfs/dbraw/zinc/08/17/11/626081711.db2.gz UMSNEMUVUNFOBU-XJKSGUPXSA-N 0 0 311.397 3.015 20 10 DGCDRN CC[C@H]([NH2+]CCNc1cccc(C)n1)c1ccc(F)cc1[O-] ZINC000796837555 626088709 /nfs/dbraw/zinc/08/87/09/626088709.db2.gz DIONQGSMUDDYGX-HNNXBMFYSA-N 0 0 303.381 3.388 20 10 DGCDRN CC[C@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1ccc(F)cc1[O-] ZINC000796841348 626089093 /nfs/dbraw/zinc/08/90/93/626089093.db2.gz SDYRSYRVOVXJRB-PKOBYXMFSA-N 0 0 315.388 3.406 20 10 DGCDRN Cc1cc(C(=O)N[C@H]2CS[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000839829430 626158082 /nfs/dbraw/zinc/15/80/82/626158082.db2.gz HMHIQRIUNOSONL-TZMCWYRMSA-N 0 0 315.442 3.113 20 10 DGCDRN CC1=C(Br)CN(Cc2cc(F)ccc2O)CC1 ZINC000797604809 626159325 /nfs/dbraw/zinc/15/93/25/626159325.db2.gz CVNOSFQRWLETHB-UHFFFAOYSA-N 0 0 300.171 3.406 20 10 DGCDRN COc1cccc(O)c1CN1CCC(C)=C(Br)C1 ZINC000797605879 626159374 /nfs/dbraw/zinc/15/93/74/626159374.db2.gz WURZMXDXJBHEPD-UHFFFAOYSA-N 0 0 312.207 3.275 20 10 DGCDRN COc1ccc(CNC(=O)Nc2ccc(Cl)nc2C)c(O)c1 ZINC000797651337 626162649 /nfs/dbraw/zinc/16/26/49/626162649.db2.gz DMZCYNVGXAIPIN-UHFFFAOYSA-N 0 0 321.764 3.079 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2C[C@H](c3ccccc3F)C2)c1 ZINC000797876699 626176057 /nfs/dbraw/zinc/17/60/57/626176057.db2.gz OYCUHELEYSFCMZ-AULYBMBSSA-N 0 0 316.332 3.475 20 10 DGCDRN Cc1cc(CC(=O)NCCF)c(C)n1-c1ccc(Cl)cc1 ZINC000798060640 626191625 /nfs/dbraw/zinc/19/16/25/626191625.db2.gz VODNVFVUFZJWQC-UHFFFAOYSA-N 0 0 308.784 3.376 20 10 DGCDRN COC(=O)c1ccc(COc2ccc(N(C)C)cc2)c(F)c1 ZINC000798220360 626203176 /nfs/dbraw/zinc/20/31/76/626203176.db2.gz YPFJUTPMLOBAST-UHFFFAOYSA-N 0 0 303.333 3.257 20 10 DGCDRN Cn1nncc1C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000798346150 626210670 /nfs/dbraw/zinc/21/06/70/626210670.db2.gz XEABBSBPXYQYEY-UHFFFAOYSA-N 0 0 306.329 3.483 20 10 DGCDRN CC[C@H]([NH2+][C@H](CO)CCOC)c1ccc(Cl)c(Cl)c1[O-] ZINC000798940880 626261397 /nfs/dbraw/zinc/26/13/97/626261397.db2.gz OKAKTJJJZUMNOT-CABZTGNLSA-N 0 0 322.232 3.137 20 10 DGCDRN CC[C@@H](C)N(CC(=O)OC)Cc1ccc(N2CCCCC2)cc1 ZINC000798954794 626262696 /nfs/dbraw/zinc/26/26/96/626262696.db2.gz DEXVNNDSRZFPJR-MRXNPFEDSA-N 0 0 318.461 3.450 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)CCCC2CCOCC2)c1 ZINC000798980089 626264826 /nfs/dbraw/zinc/26/48/26/626264826.db2.gz DAWHAWLQRDSZQC-ZDUSSCGKSA-N 0 0 321.417 3.175 20 10 DGCDRN CSc1ccc([C@H](C)NC(=O)c2cccc(O)c2O)cc1 ZINC000799038179 626266674 /nfs/dbraw/zinc/26/66/74/626266674.db2.gz KEWMWZWYUDSYMD-JTQLQIEISA-N 0 0 303.383 3.311 20 10 DGCDRN Cc1ccc(CN(C[C@H](C)O)c2ccc3c(c2)OCCO3)s1 ZINC000799132768 626275540 /nfs/dbraw/zinc/27/55/40/626275540.db2.gz LXERSHLSINRRSJ-LBPRGKRZSA-N 0 0 319.426 3.215 20 10 DGCDRN COc1ccc(N(C)Cc2ncnn2-c2ccccc2)cc1F ZINC000799128871 626275566 /nfs/dbraw/zinc/27/55/66/626275566.db2.gz UVPNNRUYJQCHDS-UHFFFAOYSA-N 0 0 312.348 3.051 20 10 DGCDRN Cc1c[nH]nc1C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000799530764 626308321 /nfs/dbraw/zinc/30/83/21/626308321.db2.gz NIPYPVNINNRZRJ-UHFFFAOYSA-N 0 0 322.412 3.098 20 10 DGCDRN Cc1cc(O)ccc1NS(=O)(=O)/C=C/c1ccccc1F ZINC000799920403 626335914 /nfs/dbraw/zinc/33/59/14/626335914.db2.gz BVUBXBZGMSVLGX-CMDGGOBGSA-N 0 0 307.346 3.252 20 10 DGCDRN CCOc1ccc2[nH]c(Sc3ncc([N+](=O)[O-])s3)nc2c1 ZINC000799926076 626336509 /nfs/dbraw/zinc/33/65/09/626336509.db2.gz YCXMMRZSAQRIEX-UHFFFAOYSA-N 0 0 322.371 3.478 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)COC1CCCC1 ZINC000839917074 626370469 /nfs/dbraw/zinc/37/04/69/626370469.db2.gz YPLLLTJGMJCSTL-HNNXBMFYSA-N 0 0 318.461 3.067 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CSC(C)C ZINC000839916263 626370509 /nfs/dbraw/zinc/37/05/09/626370509.db2.gz QKCDSBZFUFYXQF-CQSZACIVSA-N 0 0 308.491 3.250 20 10 DGCDRN Cc1ccncc1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839917611 626370816 /nfs/dbraw/zinc/37/08/16/626370816.db2.gz FTBRXKHPBZCCNE-OAHLLOKOSA-N 0 0 311.429 3.125 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1CC12CCC2 ZINC000839920069 626373197 /nfs/dbraw/zinc/37/31/97/626373197.db2.gz KIQORAMQMRCTJA-RHSMWYFYSA-N 0 0 300.446 3.298 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H](C)C(C)(F)F ZINC000839920662 626373545 /nfs/dbraw/zinc/37/35/45/626373545.db2.gz COTBCDQIYVUGMH-CHWSQXEVSA-N 0 0 312.404 3.400 20 10 DGCDRN CC[C@H](C)[C@H](OC)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839921152 626373876 /nfs/dbraw/zinc/37/38/76/626373876.db2.gz IBQJCXRBCIYKQF-YEWWUXTCSA-N 0 0 320.477 3.169 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)/C=C/c1ccc[nH]1 ZINC000839922894 626382360 /nfs/dbraw/zinc/38/23/60/626382360.db2.gz ZZGUHMLYIJTTAG-HQPKTYMTSA-N 0 0 311.429 3.150 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000800914508 626384733 /nfs/dbraw/zinc/38/47/33/626384733.db2.gz WYNKQGKCJONJNJ-UHFFFAOYSA-N 0 0 317.345 3.071 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC(C)(C)O1 ZINC000801548714 626409266 /nfs/dbraw/zinc/40/92/66/626409266.db2.gz NHEYUBBXCSYCEH-INIZCTEOSA-N 0 0 305.418 3.479 20 10 DGCDRN CCCCN(Cc1ccccc1O)[C@@H](C)c1nc(COC)no1 ZINC000801599211 626411601 /nfs/dbraw/zinc/41/16/01/626411601.db2.gz FNGQENGBFNUYIH-ZDUSSCGKSA-N 0 0 319.405 3.285 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@@H](C)c2ccsc2)c1 ZINC000802161882 626433997 /nfs/dbraw/zinc/43/39/97/626433997.db2.gz UBXQNSKWWWGDAL-JTQLQIEISA-N 0 0 306.387 3.023 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCCOC1CCC1 ZINC000802208218 626435458 /nfs/dbraw/zinc/43/54/58/626435458.db2.gz CYFVCNOWBYCIRK-UHFFFAOYSA-N 0 0 320.433 3.273 20 10 DGCDRN CCC(CC)(CCO)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000802298154 626558146 /nfs/dbraw/zinc/55/81/46/626558146.db2.gz KSWLLSDUAMADEI-AWEZNQCLSA-N 0 0 321.465 3.054 20 10 DGCDRN COc1cccc(CNC(=O)N[C@H](C)c2ccsc2)c1O ZINC000802394835 626560230 /nfs/dbraw/zinc/56/02/30/626560230.db2.gz QKIVDAQYHPJJDX-SNVBAGLBSA-N 0 0 306.387 3.023 20 10 DGCDRN CN(C)C[C@@H](NC(=O)C1=CC(=O)CS1)c1ccc(Cl)cc1 ZINC000802679837 626566375 /nfs/dbraw/zinc/56/63/75/626566375.db2.gz QXAOAMKZYJMEJJ-CYBMUJFWSA-N 0 0 324.833 3.140 20 10 DGCDRN Cc1oc(C(C)C)cc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000803090162 626594004 /nfs/dbraw/zinc/59/40/04/626594004.db2.gz WCXMMEIKTLCBDY-NSHDSACASA-N 0 0 317.385 3.484 20 10 DGCDRN COc1ccc(CNC(=O)C(C2CCC2)C2CCC2)c(O)c1 ZINC000803291978 626602927 /nfs/dbraw/zinc/60/29/27/626602927.db2.gz FWOLLLXIAOQMHE-UHFFFAOYSA-N 0 0 303.402 3.233 20 10 DGCDRN COCCC1(C(=O)N[C@H](C)c2cc(OC)ccc2O)CCCC1 ZINC000131214194 626608069 /nfs/dbraw/zinc/60/80/69/626608069.db2.gz UBFCCIBKRTWQRS-CYBMUJFWSA-N 0 0 321.417 3.175 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCO[C@H]1CC ZINC000803389156 626609843 /nfs/dbraw/zinc/60/98/43/626609843.db2.gz ACMLSPAKBUZJRV-WBVHZDCISA-N 0 0 305.418 3.336 20 10 DGCDRN Cc1ccc(C(=O)N2CCC(CC(F)(F)F)CC2)c(O)c1O ZINC000803674916 626627299 /nfs/dbraw/zinc/62/72/99/626627299.db2.gz FBLSCJGZWIPIBS-UHFFFAOYSA-N 0 0 317.307 3.211 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1ccc(F)cc1[O-] ZINC000883276740 626633673 /nfs/dbraw/zinc/63/36/73/626633673.db2.gz OXYSJWBSXBJEMU-BBRMVZONSA-N 0 0 307.365 3.016 20 10 DGCDRN CSc1cccc(F)c1CNC(=O)c1ccc(C)c(O)c1O ZINC000804141513 626656894 /nfs/dbraw/zinc/65/68/94/626656894.db2.gz BYXSLBQFOJGMKC-UHFFFAOYSA-N 0 0 321.373 3.197 20 10 DGCDRN C[C@H]1C(=O)N(CN2CCCc3cc(OC(F)F)ccc32)C[C@H]1C ZINC000840037962 626666524 /nfs/dbraw/zinc/66/65/24/626666524.db2.gz ZJBAXZBBECGTOK-VXGBXAGGSA-N 0 0 324.371 3.113 20 10 DGCDRN COc1ccc(N(C)Cc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000132084573 626698603 /nfs/dbraw/zinc/69/86/03/626698603.db2.gz SDNYPAQJOGOKSB-UHFFFAOYSA-N 0 0 302.330 3.248 20 10 DGCDRN CC[C@H]([NH2+]Cc1cn(C)nn1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806157421 626703221 /nfs/dbraw/zinc/70/32/21/626703221.db2.gz FSWPCMZYFQCVLC-LBPRGKRZSA-N 0 0 315.204 3.068 20 10 DGCDRN C[C@H](c1ccccc1)N1CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000883570009 626706645 /nfs/dbraw/zinc/70/66/45/626706645.db2.gz QMZVLMAKTLJLLD-OAHLLOKOSA-N 0 0 324.428 3.180 20 10 DGCDRN Cc1cc2ccc(C(=O)NCc3ccc(N(C)C)cc3)cn2c1 ZINC000806317451 626710230 /nfs/dbraw/zinc/71/02/30/626710230.db2.gz IIGCJGOJCBHYHX-UHFFFAOYSA-N 0 0 307.397 3.244 20 10 DGCDRN CCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2C)SC1=S ZINC000806554449 626719947 /nfs/dbraw/zinc/71/99/47/626719947.db2.gz UFUDOWOABJGVBP-WQLSENKSSA-N 0 0 323.439 3.233 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]3C[C@H]32)cc1F ZINC000806772556 626733371 /nfs/dbraw/zinc/73/33/71/626733371.db2.gz SCPUKQIFPLOCQC-WMLDXEAASA-N 0 0 319.424 3.366 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCCC1(F)F ZINC000806846759 626736984 /nfs/dbraw/zinc/73/69/84/626736984.db2.gz WNDSUWCUTARCRQ-HNNXBMFYSA-N 0 0 321.371 3.050 20 10 DGCDRN CCC[C@]1(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCOC1 ZINC000807141845 626747354 /nfs/dbraw/zinc/74/73/54/626747354.db2.gz WPXTVEHVYNVFSD-KDOFPFPSSA-N 0 0 319.449 3.072 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CSC[C@@H]1C ZINC000807477750 626758316 /nfs/dbraw/zinc/75/83/16/626758316.db2.gz XLCVZJNLUPGWBT-JSGCOSHPSA-N 0 0 308.447 3.065 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCC1(C)C ZINC000807575648 626761471 /nfs/dbraw/zinc/76/14/71/626761471.db2.gz QTOKPBGYVXBLTB-MRXNPFEDSA-N 0 0 303.450 3.473 20 10 DGCDRN CC[C@@H](NC(=O)C1=CC(=O)CS1)c1ccc(OC)c(OC)c1 ZINC000807683380 626764820 /nfs/dbraw/zinc/76/48/20/626764820.db2.gz YRNWDWBQPWPDDF-GFCCVEGCSA-N 0 0 321.398 3.352 20 10 DGCDRN COCCC[N@H+](CCOC)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000133087866 626765648 /nfs/dbraw/zinc/76/56/48/626765648.db2.gz MBAQWUPMEXHSOE-UHFFFAOYSA-N 0 0 322.232 3.184 20 10 DGCDRN COc1ccc([C@@H](C)NC(=O)C2=CC(=O)CS2)c(C)c1OC ZINC000807859189 626773150 /nfs/dbraw/zinc/77/31/50/626773150.db2.gz ZJLZGNJYRJOOTN-SNVBAGLBSA-N 0 0 321.398 3.270 20 10 DGCDRN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000808023753 626788339 /nfs/dbraw/zinc/78/83/39/626788339.db2.gz XIYRQKNTFRUKFU-NSHDSACASA-N 0 0 317.393 3.359 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)N2CC[C@@H](C)C2)cc1 ZINC000800002627 626790334 /nfs/dbraw/zinc/79/03/34/626790334.db2.gz ULQYHEDQFZRYSM-OAHLLOKOSA-N 0 0 303.450 3.426 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(Cl)c1 ZINC000808094537 626791938 /nfs/dbraw/zinc/79/19/38/626791938.db2.gz SWJSQFBXTFGYKF-UHFFFAOYSA-N 0 0 310.777 3.461 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)c1ccccc1 ZINC000808094522 626792193 /nfs/dbraw/zinc/79/21/93/626792193.db2.gz RXGYRNIRJAPTIY-CYBMUJFWSA-N 0 0 304.386 3.298 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)c1cccc(F)c1 ZINC000808095367 626792605 /nfs/dbraw/zinc/79/26/05/626792605.db2.gz YXMRDOVORUWGID-LBPRGKRZSA-N 0 0 322.376 3.437 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1ccsc1 ZINC000808094752 626792638 /nfs/dbraw/zinc/79/26/38/626792638.db2.gz CSKCTHGZTBJYTG-UHFFFAOYSA-N 0 0 310.415 3.188 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc2[nH]ccc2c1 ZINC000808096201 626792669 /nfs/dbraw/zinc/79/26/69/626792669.db2.gz DPWBEIIFPFAMCM-UHFFFAOYSA-N 0 0 315.369 3.289 20 10 DGCDRN CCN(C)C(=O)c1cccc(NCc2c(O)cccc2OC)c1 ZINC000808424226 626823091 /nfs/dbraw/zinc/82/30/91/626823091.db2.gz UXWCNCKUTKFFHX-UHFFFAOYSA-N 0 0 314.385 3.105 20 10 DGCDRN CCN(C)C(=O)c1cccc(NCc2cccc(OC)c2O)c1 ZINC000808424297 626823171 /nfs/dbraw/zinc/82/31/71/626823171.db2.gz YDCBWJJPWAKLRJ-UHFFFAOYSA-N 0 0 314.385 3.105 20 10 DGCDRN C[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)[C@@H](O)c1ccccc1 ZINC000808444725 626825404 /nfs/dbraw/zinc/82/54/04/626825404.db2.gz JUOSUVGWJJIVJB-QLJPJBMISA-N 0 0 309.768 3.396 20 10 DGCDRN CC(=O)C(=O)COC(=O)C1(Cc2cccc(F)c2)CCCCC1 ZINC000808551427 626839466 /nfs/dbraw/zinc/83/94/66/626839466.db2.gz XSWBEGSJTSSSJX-UHFFFAOYSA-N 0 0 320.360 3.020 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC1CCC=CCC1 ZINC000884167338 626844466 /nfs/dbraw/zinc/84/44/66/626844466.db2.gz BDMFBMDMZDWGCG-UHFFFAOYSA-N 0 0 311.429 3.361 20 10 DGCDRN CCOC(=O)c1cnc(Sc2ncc3ccccn32)s1 ZINC000809343258 626904675 /nfs/dbraw/zinc/90/46/75/626904675.db2.gz IPJPFCMKLTZXOB-UHFFFAOYSA-N 0 0 305.384 3.119 20 10 DGCDRN COc1ccc(N(Cc2csnn2)Cc2ccco2)cc1F ZINC000809576675 626921843 /nfs/dbraw/zinc/92/18/43/626921843.db2.gz YGODHFOSPHPFLY-UHFFFAOYSA-N 0 0 319.361 3.486 20 10 DGCDRN CC[C@@H]1CN(Cc2cc(Cl)cc(C)c2O)C[C@@H](C)[S@]1=O ZINC000809700120 626937806 /nfs/dbraw/zinc/93/78/06/626937806.db2.gz XVLDTHDGWDOUHA-QRVQBPJGSA-N 0 0 315.866 3.085 20 10 DGCDRN CNC(=O)Nc1cc(NCc2cc(F)ccc2O)ccc1F ZINC000809698376 626937951 /nfs/dbraw/zinc/93/79/51/626937951.db2.gz CWDVXLZIOWOJQA-UHFFFAOYSA-N 0 0 307.300 3.034 20 10 DGCDRN CC[C@@H]1CN(Cc2ccc(N(CC)CC)cc2)C[C@@H](C)[S@@]1=O ZINC000809700622 626938938 /nfs/dbraw/zinc/93/89/38/626938938.db2.gz KRHNUBSMTWAHBF-LDJQZATESA-N 0 0 322.518 3.264 20 10 DGCDRN CC(C)C[N@H+](CCN(C)C)Cc1cc(Cl)cc(F)c1[O-] ZINC000809729664 626942425 /nfs/dbraw/zinc/94/24/25/626942425.db2.gz NSBDNIIQHCFGDW-UHFFFAOYSA-N 0 0 302.821 3.204 20 10 DGCDRN COC(=O)CCCCC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000809727614 626942593 /nfs/dbraw/zinc/94/25/93/626942593.db2.gz PUONFXXOOAIXID-UHFFFAOYSA-N 0 0 303.761 3.008 20 10 DGCDRN CCOC(=O)c1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])o1 ZINC000809742651 626944581 /nfs/dbraw/zinc/94/45/81/626944581.db2.gz CJVLHSBLOYLFJT-UHFFFAOYSA-N 0 0 309.749 3.105 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC[C@@H](O)c1ccccc1 ZINC000809747076 626946130 /nfs/dbraw/zinc/94/61/30/626946130.db2.gz IDFVDHKZXFFUFM-OAHLLOKOSA-N 0 0 309.768 3.398 20 10 DGCDRN Cc1nccn1CCC[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000809752491 626946791 /nfs/dbraw/zinc/94/67/91/626946791.db2.gz DZZNSEMXQWYQNJ-UHFFFAOYSA-N 0 0 311.788 3.212 20 10 DGCDRN CC(C)n1cc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])nn1 ZINC000809776080 626951152 /nfs/dbraw/zinc/95/11/52/626951152.db2.gz SQMHMVPMKINLIT-UHFFFAOYSA-N 0 0 315.204 3.161 20 10 DGCDRN O=C1OCc2ccc(NCc3cc(Cl)cc(F)c3O)cc21 ZINC000809788360 626953927 /nfs/dbraw/zinc/95/39/27/626953927.db2.gz IZGOINUTLMDQNJ-UHFFFAOYSA-N 0 0 307.708 3.467 20 10 DGCDRN CN(C)c1ccc(OCC(=O)N(C)CC2CCCCC2)cc1 ZINC000810002444 626967736 /nfs/dbraw/zinc/96/77/36/626967736.db2.gz XMWAIBOVGRDDHU-UHFFFAOYSA-N 0 0 304.434 3.170 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cncnc1-c1ccccc1 ZINC000810156813 626982587 /nfs/dbraw/zinc/98/25/87/626982587.db2.gz VQMNSYVNUMBPJY-UHFFFAOYSA-N 0 0 319.364 3.121 20 10 DGCDRN CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000810258100 626994146 /nfs/dbraw/zinc/99/41/46/626994146.db2.gz ZGLHEKYYMDNXRT-IWSPIJDZSA-N 0 0 320.202 3.368 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(O)ccc2Cl)c1 ZINC000810348415 627002813 /nfs/dbraw/zinc/00/28/13/627002813.db2.gz VXQXEUUDFBXVPZ-SECBINFHSA-N 0 0 321.760 3.251 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCCSC1 ZINC000810447705 627007348 /nfs/dbraw/zinc/00/73/48/627007348.db2.gz SANHGFSMLOXLLC-ZDUSSCGKSA-N 0 0 305.443 3.030 20 10 DGCDRN COCCOc1ccccc1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886508688 627154699 /nfs/dbraw/zinc/15/46/99/627154699.db2.gz KWDGXNDQSIGYDR-ZDUSSCGKSA-N 0 0 319.376 3.407 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1COc2ccccc2C1)c1c([O-])cccc1F ZINC000886513087 627155632 /nfs/dbraw/zinc/15/56/32/627155632.db2.gz SZKVYMZGBJYEDG-CHWSQXEVSA-N 0 0 301.361 3.433 20 10 DGCDRN C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1c([O-])cccc1F ZINC000886522372 627156487 /nfs/dbraw/zinc/15/64/87/627156487.db2.gz HWTJXSLPSYJTFL-NSHDSACASA-N 0 0 304.321 3.333 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1c([O-])cccc1F ZINC000886526374 627157448 /nfs/dbraw/zinc/15/74/48/627157448.db2.gz LHOPDKCAWGOSDP-VXGBXAGGSA-N 0 0 324.396 3.191 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1c([O-])cccc1F ZINC000886550437 627161407 /nfs/dbraw/zinc/16/14/07/627161407.db2.gz ZTVASUZNRBXMMG-YMTOWFKASA-N 0 0 311.303 3.194 20 10 DGCDRN C[C@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1c([O-])cccc1F ZINC000886556725 627162426 /nfs/dbraw/zinc/16/24/26/627162426.db2.gz JAMMURQHAOBKMI-LRDDRELGSA-N 0 0 300.377 3.369 20 10 DGCDRN C[C@H]([NH2+]CC[C@@](C)(O)c1ccccc1)c1c([O-])cccc1F ZINC000886594077 627169305 /nfs/dbraw/zinc/16/93/05/627169305.db2.gz FRXQXWLICOLHKX-SCLBCKFNSA-N 0 0 303.377 3.480 20 10 DGCDRN C[C@H]([NH2+]CCc1nn(C)c2ccccc12)c1c([O-])cccc1F ZINC000886594657 627169920 /nfs/dbraw/zinc/16/99/20/627169920.db2.gz REHCHZNFCMXBCX-LBPRGKRZSA-N 0 0 313.376 3.311 20 10 DGCDRN C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1c([O-])cccc1F ZINC000886601172 627171032 /nfs/dbraw/zinc/17/10/32/627171032.db2.gz LQYCBMATDYOJPJ-MRVPVSSYSA-N 0 0 313.266 3.099 20 10 DGCDRN C[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1c([O-])cccc1F ZINC000886605823 627171492 /nfs/dbraw/zinc/17/14/92/627171492.db2.gz ZHTPETGLJNJTMJ-NSHDSACASA-N 0 0 321.421 3.307 20 10 DGCDRN Cc1cccc2nc(CC[NH2+][C@H](C)c3c([O-])cccc3F)cn21 ZINC000886631279 627177376 /nfs/dbraw/zinc/17/73/76/627177376.db2.gz IWIDIQLHRWCJAC-CYBMUJFWSA-N 0 0 313.376 3.381 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1c([O-])cccc1F ZINC000886649562 627180434 /nfs/dbraw/zinc/18/04/34/627180434.db2.gz DGLLMXJUWKJAGF-UONOGXRCSA-N 0 0 323.408 3.158 20 10 DGCDRN CC[C@H]([NH2+][C@H](COC)[C@@H]1CCCOC1)c1ccc(F)cc1[O-] ZINC000886789249 627204526 /nfs/dbraw/zinc/20/45/26/627204526.db2.gz QUKONBFQMWHEES-UHOFOFEASA-N 0 0 311.397 3.014 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N(CC(F)F)C2CCC2)cc1 ZINC000887634084 627298054 /nfs/dbraw/zinc/29/80/54/627298054.db2.gz DSRWPIGPKNLDAU-UHFFFAOYSA-N 0 0 311.376 3.082 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCc1ccco1 ZINC000840237258 627315286 /nfs/dbraw/zinc/31/52/86/627315286.db2.gz ILMNOFDFNYLBCA-CQSZACIVSA-N 0 0 315.417 3.084 20 10 DGCDRN CCc1cc(CN2CCn3cncc3C2)c(O)c(C(C)(C)C)c1 ZINC000811787464 627321875 /nfs/dbraw/zinc/32/18/75/627321875.db2.gz KUNFETXIUCALIC-UHFFFAOYSA-N 0 0 313.445 3.464 20 10 DGCDRN Oc1ccc2c(c1CNc1nccnc1OC(F)F)CCCC2 ZINC000811808908 627323875 /nfs/dbraw/zinc/32/38/75/627323875.db2.gz UFLBCOHBLNOBKJ-UHFFFAOYSA-N 0 0 321.327 3.275 20 10 DGCDRN Cc1cc(NCCc2ccc(O)c(O)c2)ncc1Br ZINC000811811594 627324384 /nfs/dbraw/zinc/32/43/84/627324384.db2.gz YHBUPJAXVCGBBZ-UHFFFAOYSA-N 0 0 323.190 3.218 20 10 DGCDRN Oc1ccc(CCNc2ccnc3ccc(Cl)cc32)cc1O ZINC000811811436 627324409 /nfs/dbraw/zinc/32/44/09/627324409.db2.gz UPOKUKPYYHWSMZ-UHFFFAOYSA-N 0 0 314.772 3.376 20 10 DGCDRN CC(=O)c1ccc(NC(=S)NNc2ccccc2F)cc1 ZINC000812474854 627390004 /nfs/dbraw/zinc/39/00/04/627390004.db2.gz GVKHDWNMIZVFQF-UHFFFAOYSA-N 0 0 303.362 3.342 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](C)[C@H](C)COC)cc1 ZINC000812477472 627390655 /nfs/dbraw/zinc/39/06/55/627390655.db2.gz PJCUNCLJGJCKCP-CABCVRRESA-N 0 0 306.450 3.068 20 10 DGCDRN CC[C@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1ccc(F)cc1[O-] ZINC000812736983 627414628 /nfs/dbraw/zinc/41/46/28/627414628.db2.gz LCIFVONUAUOOFL-HNNXBMFYSA-N 0 0 317.408 3.385 20 10 DGCDRN CCO[C@H](CC)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000840274093 627439531 /nfs/dbraw/zinc/43/95/31/627439531.db2.gz AKYLKGMRLYFOCR-QGZVFWFLSA-N 0 0 306.450 3.305 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCc2ccc(C)nc2Cl)c1 ZINC000889765596 627466089 /nfs/dbraw/zinc/46/60/89/627466089.db2.gz CDSHIQPYGRNOJW-UHFFFAOYSA-N 0 0 319.792 3.057 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1C[C@@H](COC)C1 ZINC000889869408 627473668 /nfs/dbraw/zinc/47/36/68/627473668.db2.gz MCRZAJZFQIXHCN-FZNQNYSPSA-N 0 0 320.433 3.129 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C[C@@H](O)CC(C)(C)C)cc1 ZINC000813414315 627488228 /nfs/dbraw/zinc/48/82/28/627488228.db2.gz KMZICOMBRFBXHF-QGZVFWFLSA-N 0 0 320.477 3.336 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NCC(C)(C)COC)cc1 ZINC000813591215 627500679 /nfs/dbraw/zinc/50/06/79/627500679.db2.gz JMSZNPIXEJVQDD-UHFFFAOYSA-N 0 0 321.465 3.005 20 10 DGCDRN COC(=O)c1ccc(NCc2c(O)ccc3c2CCCC3)nc1 ZINC000813595235 627500974 /nfs/dbraw/zinc/50/09/74/627500974.db2.gz SSYHYLDNRDZELX-UHFFFAOYSA-N 0 0 312.369 3.065 20 10 DGCDRN COc1cc(NCc2cc3c(cc2O)OCO3)cc2cccnc21 ZINC000813784519 627511769 /nfs/dbraw/zinc/51/17/69/627511769.db2.gz GZOJERMFWDERFW-UHFFFAOYSA-N 0 0 324.336 3.290 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)[C@H]1CC(C)(C)OC1=O ZINC000814180023 627547889 /nfs/dbraw/zinc/54/78/89/627547889.db2.gz MGIITYYXQDDLCH-KRWDZBQOSA-N 0 0 316.445 3.203 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC1(C)CC1 ZINC000840316754 627556844 /nfs/dbraw/zinc/55/68/44/627556844.db2.gz SHOCMAKLWAFSMG-AWEZNQCLSA-N 0 0 303.450 3.091 20 10 DGCDRN CCOc1ccc(CNc2ccc(F)c(NC(N)=O)c2)c(O)c1 ZINC000814300395 627558002 /nfs/dbraw/zinc/55/80/02/627558002.db2.gz LJAWQYJICYXYHE-UHFFFAOYSA-N 0 0 319.336 3.033 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1sccc1F ZINC000815008396 627616150 /nfs/dbraw/zinc/61/61/50/627616150.db2.gz FESMIGYHHPOMLZ-UHFFFAOYSA-N 0 0 304.390 3.417 20 10 DGCDRN CCN(C)c1ccc(CN2CCC[C@H]2c2nc(C)no2)cc1 ZINC000815117734 627629034 /nfs/dbraw/zinc/62/90/34/627629034.db2.gz UIXUJYVWIMNSDV-INIZCTEOSA-N 0 0 300.406 3.171 20 10 DGCDRN Cc1nc([C@](C)(NCc2ccc(N(C)C)c(C)c2)C2CC2)no1 ZINC000815123510 627631487 /nfs/dbraw/zinc/63/14/87/627631487.db2.gz BELDWRBSUSRFPC-GOSISDBHSA-N 0 0 314.433 3.167 20 10 DGCDRN C[C@@H]([NH2+]CC1(O)CCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815579573 627686837 /nfs/dbraw/zinc/68/68/37/627686837.db2.gz QFLJSKWGPXWMLW-SNVBAGLBSA-N 0 0 303.324 3.367 20 10 DGCDRN CC(C)[C@@H](CCO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815584150 627687590 /nfs/dbraw/zinc/68/75/90/627687590.db2.gz WUEMOLCHDAJOLT-GXFFZTMASA-N 0 0 305.340 3.469 20 10 DGCDRN C[C@H]([NH2+][C@H](CCO)C1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815594762 627688894 /nfs/dbraw/zinc/68/88/94/627688894.db2.gz XMWNUPAIEKBQCQ-TVQRCGJNSA-N 0 0 303.324 3.223 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1cccc(C(F)(F)F)c1[O-] ZINC000815621571 627691554 /nfs/dbraw/zinc/69/15/54/627691554.db2.gz XPAPSGYRVDIIBG-KWBADKCTSA-N 0 0 303.324 3.487 20 10 DGCDRN CO[C@H]1CCCC[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000815835832 627707042 /nfs/dbraw/zinc/70/70/42/627707042.db2.gz HAXWFLKPJTVQND-QAPCUYQASA-N 0 0 317.429 3.092 20 10 DGCDRN CO[C@@H](COC(=O)c1cc(C)n(-c2ccccn2)c1C)C1CC1 ZINC000816382800 627778390 /nfs/dbraw/zinc/77/83/90/627778390.db2.gz YVLJHMVEPCEWDX-INIZCTEOSA-N 0 0 314.385 3.071 20 10 DGCDRN CCCN(CC(=O)OCC)Cc1ccc2ccccc2c1O ZINC000816494806 627797024 /nfs/dbraw/zinc/79/70/24/627797024.db2.gz ADXHSDVQCOKEAY-UHFFFAOYSA-N 0 0 301.386 3.321 20 10 DGCDRN C[C@]1(C(=O)NCc2cccc(Br)c2O)C[C@H]2C[C@H]2C1 ZINC000816495764 627797388 /nfs/dbraw/zinc/79/73/88/627797388.db2.gz IWBVJMIJOXLNAF-HBYGRHMLSA-N 0 0 324.218 3.207 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000816516879 627800226 /nfs/dbraw/zinc/80/02/26/627800226.db2.gz UYXVDZDTLGLHRN-LBPRGKRZSA-N 0 0 313.800 3.433 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000816516878 627800319 /nfs/dbraw/zinc/80/03/19/627800319.db2.gz UYXVDZDTLGLHRN-GFCCVEGCSA-N 0 0 313.800 3.433 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000816532871 627803000 /nfs/dbraw/zinc/80/30/00/627803000.db2.gz YWNSYXZPILQSNH-GFCCVEGCSA-N 0 0 307.752 3.278 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCOc1ccc(F)cc1 ZINC000816532898 627803239 /nfs/dbraw/zinc/80/32/39/627803239.db2.gz ZXPCTUZIWXNHQW-UHFFFAOYSA-N 0 0 313.731 3.492 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000816530925 627803478 /nfs/dbraw/zinc/80/34/78/627803478.db2.gz AIFXARGTBKNNND-LLVKDONJSA-N 0 0 323.751 3.114 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1cccc2c1OCO2 ZINC000816537612 627804392 /nfs/dbraw/zinc/80/43/92/627804392.db2.gz LAYKKWDWISCUNJ-UHFFFAOYSA-N 0 0 309.724 3.203 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H](O)c1ccccc1F ZINC000816537878 627804452 /nfs/dbraw/zinc/80/44/52/627804452.db2.gz WWEIIIFAROOLGQ-OAHLLOKOSA-N 0 0 313.731 3.147 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H](O)C1CCCCC1 ZINC000816546277 627804867 /nfs/dbraw/zinc/80/48/67/627804867.db2.gz DUUYLRWMAAHFRG-HNNXBMFYSA-N 0 0 301.789 3.216 20 10 DGCDRN COc1ccc(CNC(=O)c2ccc(C(C)C)nc2C)c(O)c1 ZINC000816549972 627805961 /nfs/dbraw/zinc/80/59/61/627805961.db2.gz DVVWFBKDSUIGIK-UHFFFAOYSA-N 0 0 314.385 3.158 20 10 DGCDRN CC(C)CC[C@@](C)(O)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816552762 627806820 /nfs/dbraw/zinc/80/68/20/627806820.db2.gz VLMARLXLEBJHLC-OAHLLOKOSA-N 0 0 303.805 3.462 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000816559183 627807391 /nfs/dbraw/zinc/80/73/91/627807391.db2.gz AWILNVYBFFYTPJ-COLVAYQJSA-N 0 0 311.784 3.232 20 10 DGCDRN C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816559225 627807579 /nfs/dbraw/zinc/80/75/79/627807579.db2.gz BVZBXCNOHOXTTC-XPTSAGLGSA-N 0 0 313.756 3.380 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C1CCOCC1 ZINC000816556295 627807650 /nfs/dbraw/zinc/80/76/50/627807650.db2.gz FJULCMJQEUWLTN-CQSZACIVSA-N 0 0 301.789 3.480 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000816568463 627809548 /nfs/dbraw/zinc/80/95/48/627809548.db2.gz HNDQJYCDDULVJC-AWEZNQCLSA-N 0 0 323.795 3.268 20 10 DGCDRN COC(=O)Cc1cccc(NCc2ccc3ccccc3c2O)n1 ZINC000816590913 627811364 /nfs/dbraw/zinc/81/13/64/627811364.db2.gz OULBBXKLBBHFGP-UHFFFAOYSA-N 0 0 322.364 3.268 20 10 DGCDRN Cn1ccnc1[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816593408 627812288 /nfs/dbraw/zinc/81/22/88/627812288.db2.gz QTVZEZNNFKXJNP-LLVKDONJSA-N 0 0 323.799 3.298 20 10 DGCDRN CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816610374 627814446 /nfs/dbraw/zinc/81/44/46/627814446.db2.gz IMOVWLNFWMDZOU-NSHDSACASA-N 0 0 300.805 3.005 20 10 DGCDRN O=C1COc2c(NCc3cc(Cl)c(F)cc3O)cccc2N1 ZINC000816614617 627815094 /nfs/dbraw/zinc/81/50/94/627815094.db2.gz ANRFOXWLEIPIDR-UHFFFAOYSA-N 0 0 322.723 3.128 20 10 DGCDRN Cc1cccc(CN[C@H](C)c2ncc(Br)cn2)c1O ZINC000816627697 627816151 /nfs/dbraw/zinc/81/61/51/627816151.db2.gz URKHTBGKWLAOCO-SNVBAGLBSA-N 0 0 322.206 3.104 20 10 DGCDRN OC[C@H]1CN(Cc2cc(Cl)cc(F)c2O)c2ccccc21 ZINC000816636675 627817528 /nfs/dbraw/zinc/81/75/28/627817528.db2.gz DVPDYNMOGBIMIZ-LLVKDONJSA-N 0 0 307.752 3.281 20 10 DGCDRN C[C@]1(C(=O)NCc2cc(Br)ccc2O)C[C@H]2C[C@H]2C1 ZINC000816653703 627821067 /nfs/dbraw/zinc/82/10/67/627821067.db2.gz DUZAOWFZGTXCGC-RTUWITSCSA-N 0 0 324.218 3.207 20 10 DGCDRN Cc1ccc(O)cc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000816867319 627836613 /nfs/dbraw/zinc/83/66/13/627836613.db2.gz LYNIBTOXCDYYQI-UHFFFAOYSA-N 0 0 310.397 3.231 20 10 DGCDRN Cc1cc(C(=O)N=[S@](C)(=O)C(C)C)c(C)n1-c1ccccn1 ZINC000926068519 627837350 /nfs/dbraw/zinc/83/73/50/627837350.db2.gz QUJCQSKQTICUNA-JOCHJYFZSA-N 0 0 319.430 3.136 20 10 DGCDRN Cc1cc(C(=O)N2CCO[C@H]3C[C@H]32)c(C)n1-c1cc(C)cc(C)c1 ZINC000816900140 627837723 /nfs/dbraw/zinc/83/77/23/627837723.db2.gz INXZHQDKYXXCGD-MOPGFXCFSA-N 0 0 324.424 3.324 20 10 DGCDRN CNc1ccccc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000816910937 627839450 /nfs/dbraw/zinc/83/94/50/627839450.db2.gz XBWABSJQUUOWLV-UHFFFAOYSA-N 0 0 309.413 3.041 20 10 DGCDRN CC[C@@H](C)CONC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000816979536 627845376 /nfs/dbraw/zinc/84/53/76/627845376.db2.gz QPMCTNUQDYXQSS-GFCCVEGCSA-N 0 0 301.390 3.197 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nc1nc(C)n(C)n1 ZINC000817019009 627846826 /nfs/dbraw/zinc/84/68/26/627846826.db2.gz LXJCJCQQFWQYKA-UHFFFAOYSA-N 0 0 323.400 3.092 20 10 DGCDRN Nc1ccc(NC(=O)N2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000926145201 627850523 /nfs/dbraw/zinc/85/05/23/627850523.db2.gz VICDGWQCTMFNOL-GFCCVEGCSA-N 0 0 317.286 3.167 20 10 DGCDRN CC[C@@H]1C[C@H](NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000817165090 627860840 /nfs/dbraw/zinc/86/08/40/627860840.db2.gz JIZWTKRUQUUMAT-YSVLISHTSA-N 0 0 319.449 3.070 20 10 DGCDRN CC[C@@H]1C[C@H](NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000817165087 627860969 /nfs/dbraw/zinc/86/09/69/627860969.db2.gz JIZWTKRUQUUMAT-FRFSOERESA-N 0 0 319.449 3.070 20 10 DGCDRN CCN(C)C(=O)COc1ccc(N2CCCCC2)c(Cl)c1 ZINC000817380959 627890914 /nfs/dbraw/zinc/89/09/14/627890914.db2.gz AOIUARPKRPHEOV-UHFFFAOYSA-N 0 0 310.825 3.187 20 10 DGCDRN CC(C)NC(=O)COc1ccc(N2CCCCC2)c(Cl)c1 ZINC000817382271 627891641 /nfs/dbraw/zinc/89/16/41/627891641.db2.gz SPZJHCXEUASKJY-UHFFFAOYSA-N 0 0 310.825 3.234 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000817418788 627898058 /nfs/dbraw/zinc/89/80/58/627898058.db2.gz GMAJLIIUWYJBNW-LLVKDONJSA-N 0 0 301.789 3.169 20 10 DGCDRN CCCN1C[C@@H](C[NH2+][C@@H](CC)c2cccc(Cl)c2[O-])CC1=O ZINC000817588996 627927671 /nfs/dbraw/zinc/92/76/71/627927671.db2.gz KQIBZEQHIDCJEZ-DOMZBBRYSA-N 0 0 324.852 3.345 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@H](C)c3ccnn3C)cc12 ZINC000817760672 627946951 /nfs/dbraw/zinc/94/69/51/627946951.db2.gz CSLQZQJFCYTLHU-GFCCVEGCSA-N 0 0 311.385 3.238 20 10 DGCDRN Cc1cc(CN[C@H]2C[C@H](C)n3ncnc32)c(C)n1-c1ccccc1 ZINC000926765517 627949514 /nfs/dbraw/zinc/94/95/14/627949514.db2.gz WXCBZVQBQDFYBW-KSSFIOAISA-N 0 0 321.428 3.481 20 10 DGCDRN COC[C@@H]1CCN1C(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000817809120 627950058 /nfs/dbraw/zinc/95/00/58/627950058.db2.gz OCBHPTHHTOXPBA-INIZCTEOSA-N 0 0 312.413 3.263 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1 ZINC000817881155 627952325 /nfs/dbraw/zinc/95/23/25/627952325.db2.gz PEYMUBSSQYOOBA-GOEBONIOSA-N 0 0 304.434 3.218 20 10 DGCDRN C[C@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000817881455 627952977 /nfs/dbraw/zinc/95/29/77/627952977.db2.gz TZDDHBDMMOUCED-RDJZCZTQSA-N 0 0 316.445 3.362 20 10 DGCDRN C[C@H]1C[C@@H](C(=O)[O-])C[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000817881996 627953784 /nfs/dbraw/zinc/95/37/84/627953784.db2.gz TXLUJALTDATQPD-DOTOQJQBSA-N 0 0 316.445 3.220 20 10 DGCDRN CC[C@H](N[C@H]1C[NH2+]CCC1(F)F)c1cccc(Cl)c1[O-] ZINC000817979777 627981277 /nfs/dbraw/zinc/98/12/77/627981277.db2.gz FDNSNBMUPKRNKY-RYUDHWBXSA-N 0 0 304.768 3.084 20 10 DGCDRN Cc1cnc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(C)c1 ZINC000926958393 627990134 /nfs/dbraw/zinc/99/01/34/627990134.db2.gz DEKWEBDYAQQVOD-LBPRGKRZSA-N 0 0 301.346 3.163 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCS[C@@H](C)C2)c1 ZINC000927032410 628000222 /nfs/dbraw/zinc/00/02/22/628000222.db2.gz MZKIGKDHMQUKIG-GMXVVIOVSA-N 0 0 309.431 3.114 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccco1)c1ccc(N(C)C)cc1 ZINC000840355015 628007199 /nfs/dbraw/zinc/00/71/99/628007199.db2.gz VKCRXTJUZXZYSX-DAXOMENPSA-N 0 0 313.401 3.262 20 10 DGCDRN Cc1cc(O)c(CNc2ccc(COCCO)cc2)cc1C ZINC000818233097 628007679 /nfs/dbraw/zinc/00/76/79/628007679.db2.gz BCPYUKHIJBDZFB-UHFFFAOYSA-N 0 0 301.386 3.130 20 10 DGCDRN C[C@@H](Nc1ccc(COCCO)cc1)c1ccc(F)cc1O ZINC000818360908 628018790 /nfs/dbraw/zinc/01/87/90/628018790.db2.gz CZFGFBMCDWAUDC-GFCCVEGCSA-N 0 0 305.349 3.213 20 10 DGCDRN C[C@@H](Nc1ccc(COCCO)cc1)c1ccc(N(C)C)cc1 ZINC000818362301 628019323 /nfs/dbraw/zinc/01/93/23/628019323.db2.gz UTXMVSMHCGQSMB-OAHLLOKOSA-N 0 0 314.429 3.435 20 10 DGCDRN C[C@H]([NH2+]CC[C@@H]1CCC2(CCC2)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927127213 628022355 /nfs/dbraw/zinc/02/23/55/628022355.db2.gz GOFPJUAWPYSXTH-JSGCOSHPSA-N 0 0 320.389 3.443 20 10 DGCDRN CO[C@H](CNC(=O)c1sccc1-n1c(C)ccc1C)C1CC1 ZINC000818540647 628032966 /nfs/dbraw/zinc/03/29/66/628032966.db2.gz XLKPDDMJFRIBQV-OAHLLOKOSA-N 0 0 318.442 3.310 20 10 DGCDRN CN(Cc1c(F)cccc1F)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000818552128 628034083 /nfs/dbraw/zinc/03/40/83/628034083.db2.gz TVGNMESCTNFWFH-SOFGYWHQSA-N 0 0 319.307 3.048 20 10 DGCDRN C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CCS1 ZINC000927260810 628040659 /nfs/dbraw/zinc/04/06/59/628040659.db2.gz NPEMXRJFBLLABR-UKRRQHHQSA-N 0 0 321.490 3.178 20 10 DGCDRN Cc1ccc(Cl)cc1N(C)C(=O)/C=C/c1cncc(O)c1 ZINC000818817647 628056842 /nfs/dbraw/zinc/05/68/42/628056842.db2.gz ZTVTWVRNARRHCB-GQCTYLIASA-N 0 0 302.761 3.425 20 10 DGCDRN COc1cccc(C[C@@H](C)CC(=O)NCc2ccc(N)cc2)c1 ZINC000927767221 628098879 /nfs/dbraw/zinc/09/88/79/628098879.db2.gz BUXMJWNDOYROGL-CQSZACIVSA-N 0 0 312.413 3.163 20 10 DGCDRN CC[C@H]1CCC[C@H](N2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000819169168 628104450 /nfs/dbraw/zinc/10/44/50/628104450.db2.gz XSNRUQAZCLSYIF-ZFWWWQNUSA-N 0 0 316.401 3.125 20 10 DGCDRN CCC1(CN2C(=O)CN(Cc3ccccc3O)C2=O)CCCC1 ZINC000819169271 628104572 /nfs/dbraw/zinc/10/45/72/628104572.db2.gz ZAQUIAYKJROUJQ-UHFFFAOYSA-N 0 0 316.401 3.127 20 10 DGCDRN O=C(/C=C\[C@H]1CCCO1)NCc1ccc(N2CCCCC2)cc1 ZINC000819183167 628107998 /nfs/dbraw/zinc/10/79/98/628107998.db2.gz AJMUZNAJQXCTRK-RXQFDZFGSA-N 0 0 314.429 3.028 20 10 DGCDRN CCOC1CN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000819280136 628126147 /nfs/dbraw/zinc/12/61/47/628126147.db2.gz VSAGELURPSDLJH-UHFFFAOYSA-N 0 0 304.415 3.017 20 10 DGCDRN CCCOc1ccccc1NC[C@H](O)COc1ccccc1F ZINC000819398405 628148116 /nfs/dbraw/zinc/14/81/16/628148116.db2.gz MGRPEUQSLMJGAS-AWEZNQCLSA-N 0 0 319.376 3.466 20 10 DGCDRN COCc1nsc(N[C@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000840384186 628154336 /nfs/dbraw/zinc/15/43/36/628154336.db2.gz GACZFLDUXBVETA-GFCCVEGCSA-N 0 0 320.462 3.102 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)Nc1cn[nH]c(=O)c1Cl ZINC000840385542 628159707 /nfs/dbraw/zinc/15/97/07/628159707.db2.gz ZUSUAZQBBYSQLD-NSHDSACASA-N 0 0 320.824 3.253 20 10 DGCDRN O[C@@H](CNc1ccccc1OCCF)COc1ccccc1F ZINC000819487006 628162491 /nfs/dbraw/zinc/16/24/91/628162491.db2.gz CHAWKRXOPUHVDU-ZDUSSCGKSA-N 0 0 323.339 3.026 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](C)C(C)(C)C)C2)cc1 ZINC000819584473 628171380 /nfs/dbraw/zinc/17/13/80/628171380.db2.gz KDSCSDVXAHDGFY-CABCVRRESA-N 0 0 318.461 3.320 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNC(=O)C3=C(C)CCC3)C2)cc1 ZINC000819586450 628171399 /nfs/dbraw/zinc/17/13/99/628171399.db2.gz QEDAAEAFGYZIMX-HNNXBMFYSA-N 0 0 314.429 3.138 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)c3ccsc3)C2)cc1 ZINC000819580389 628171446 /nfs/dbraw/zinc/17/14/46/628171446.db2.gz IXHWBNPIWAWIRJ-CYBMUJFWSA-N 0 0 316.426 3.013 20 10 DGCDRN Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCc1c(O)cccc1F ZINC000928705504 628179694 /nfs/dbraw/zinc/17/96/94/628179694.db2.gz KQJOMGIFSSEKLB-GHMZBOCLSA-N 0 0 305.374 3.321 20 10 DGCDRN CC[C@H](OC1CCCCC1)C(=O)NCc1c(O)cccc1F ZINC000928706586 628179706 /nfs/dbraw/zinc/17/97/06/628179706.db2.gz XSXYLEBEQUJHFF-INIZCTEOSA-N 0 0 309.381 3.275 20 10 DGCDRN CCO[C@H](CC)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000840397951 628190419 /nfs/dbraw/zinc/19/04/19/628190419.db2.gz VWBFFYXWJIDOKI-QGZVFWFLSA-N 0 0 317.385 3.329 20 10 DGCDRN Clc1ccc(NCc2ccc(N3CCSCC3)cc2)nn1 ZINC000819908720 628198102 /nfs/dbraw/zinc/19/81/02/628198102.db2.gz LYYXMHBBBKXTRJ-UHFFFAOYSA-N 0 0 320.849 3.295 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNc3ncc(Cl)cn3)C2)cc1 ZINC000819933946 628201402 /nfs/dbraw/zinc/20/14/02/628201402.db2.gz AUARDPMHGVMDJP-LBPRGKRZSA-N 0 0 318.808 3.077 20 10 DGCDRN C[C@@H](NC(=O)[C@H]1CCc2cccnc21)c1ccc(N(C)C)cc1 ZINC000819931749 628201413 /nfs/dbraw/zinc/20/14/13/628201413.db2.gz SWKUQYISBQHNHK-DYVFJYSZSA-N 0 0 309.413 3.055 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNc3ncc(C)c(C)n3)C2)cc1 ZINC000819935204 628201472 /nfs/dbraw/zinc/20/14/72/628201472.db2.gz LGRXZWPVOANZPB-HNNXBMFYSA-N 0 0 312.417 3.040 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1Cc2c[nH]nc2C1 ZINC000820213075 628235623 /nfs/dbraw/zinc/23/56/23/628235623.db2.gz GWFASRRTFWDWFY-UHFFFAOYSA-N 0 0 320.396 3.282 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1C[C@H](OCC)C1 ZINC000821196050 628344907 /nfs/dbraw/zinc/34/49/07/628344907.db2.gz PIIVCQQGDVHEQH-WKILWMFISA-N 0 0 320.433 3.271 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCCC[C@H]2F)cc1 ZINC000840438797 628349842 /nfs/dbraw/zinc/34/98/42/628349842.db2.gz FOPMWYQPQWHSIE-HZPDHXFCSA-N 0 0 307.413 3.175 20 10 DGCDRN COc1ccc(N(Cc2ccccc2)C[C@@H]2CCC(=O)O2)cc1 ZINC000821391560 628363336 /nfs/dbraw/zinc/36/33/36/628363336.db2.gz OGHHPSRTHLIWGO-SFHVURJKSA-N 0 0 311.381 3.407 20 10 DGCDRN C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC(C)(C)C1 ZINC000821852295 628403743 /nfs/dbraw/zinc/40/37/43/628403743.db2.gz JSGPIBFJVKVSLL-LLVKDONJSA-N 0 0 302.378 3.357 20 10 DGCDRN CC(C)c1ncsc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000822226724 628431201 /nfs/dbraw/zinc/43/12/01/628431201.db2.gz DVAUBJBVOACBCM-UHFFFAOYSA-N 0 0 303.431 3.263 20 10 DGCDRN Cc1ccc(F)c(CC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000822264926 628433949 /nfs/dbraw/zinc/43/39/49/628433949.db2.gz GORSGAMJZKTCGA-UHFFFAOYSA-N 0 0 314.404 3.401 20 10 DGCDRN C[N@H+](Cc1cccc(Cl)c1[O-])C[C@@](C)(O)c1ccccc1 ZINC000822516952 628459853 /nfs/dbraw/zinc/45/98/53/628459853.db2.gz RLOFKANCJDYURL-QGZVFWFLSA-N 0 0 305.805 3.385 20 10 DGCDRN O=C(NCc1ccc(N2CCSCC2)cc1)C1CC2(CC2)C1 ZINC000822554563 628463295 /nfs/dbraw/zinc/46/32/95/628463295.db2.gz ZJLHIAKDRQDETC-UHFFFAOYSA-N 0 0 316.470 3.046 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Cc2occc2C)cc1 ZINC000822608902 628470989 /nfs/dbraw/zinc/47/09/89/628470989.db2.gz ZGDJHLLCYMKCIR-UHFFFAOYSA-N 0 0 300.402 3.293 20 10 DGCDRN C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000823180860 628534154 /nfs/dbraw/zinc/53/41/54/628534154.db2.gz GQGHGQCUIIUSHT-RAEVTNRLSA-N 0 0 310.397 3.239 20 10 DGCDRN Cc1cc(C(=O)NCCCSc2nccs2)nn1C(C)C ZINC000823297832 628547607 /nfs/dbraw/zinc/54/76/07/628547607.db2.gz ISLURZIJXZCKDF-UHFFFAOYSA-N 0 0 324.475 3.141 20 10 DGCDRN CCn1nc(C)c(C[N@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000823448067 628563727 /nfs/dbraw/zinc/56/37/27/628563727.db2.gz SSRDQBHGJGLMNX-UHFFFAOYSA-N 0 0 314.433 3.257 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC[C@@H]1C ZINC000840480555 628575023 /nfs/dbraw/zinc/57/50/23/628575023.db2.gz WXNSHCZFFFMUNR-GJZGRUSLSA-N 0 0 303.450 3.186 20 10 DGCDRN CCN(C(=O)c1ccc(N=NC(N)=O)cc1)C1CC(C)(C)C1 ZINC000823604954 628579304 /nfs/dbraw/zinc/57/93/04/628579304.db2.gz KPBOQXNIZLGIBH-UHFFFAOYSA-N 0 0 302.378 3.500 20 10 DGCDRN CCC[C@@H](CC)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000823776141 628595711 /nfs/dbraw/zinc/59/57/11/628595711.db2.gz KVAHRPLWHOUILC-JKSUJKDBSA-N 0 0 318.461 3.464 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NOCC1CCC1 ZINC000824021959 628619179 /nfs/dbraw/zinc/61/91/79/628619179.db2.gz FTRSEPXYPVBVQH-UHFFFAOYSA-N 0 0 305.422 3.016 20 10 DGCDRN CCn1nnc(C)c1CN1CCCc2cc(OC(F)F)ccc21 ZINC000824161231 628633353 /nfs/dbraw/zinc/63/33/53/628633353.db2.gz LFEWHLTYHMJROJ-UHFFFAOYSA-N 0 0 322.359 3.161 20 10 DGCDRN COc1cc(F)cc(CN(C)c2ccc(OC)c(OC)c2)c1 ZINC000824161298 628633560 /nfs/dbraw/zinc/63/35/60/628633560.db2.gz MZPCMQWEVDSKOX-UHFFFAOYSA-N 0 0 305.349 3.488 20 10 DGCDRN C[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CC[N@@H+](C2CC2)C1 ZINC000824445613 628661584 /nfs/dbraw/zinc/66/15/84/628661584.db2.gz HNYDUCDEDMTPQX-LLVKDONJSA-N 0 0 312.816 3.101 20 10 DGCDRN Cc1cc(NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)no1 ZINC000840487691 628663352 /nfs/dbraw/zinc/66/33/52/628663352.db2.gz HOOKAPCNSFQSBW-GFCCVEGCSA-N 0 0 316.405 3.110 20 10 DGCDRN CC[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000824581524 628673328 /nfs/dbraw/zinc/67/33/28/628673328.db2.gz UNDYRKMSQNMQRA-VXGBXAGGSA-N 0 0 302.378 3.500 20 10 DGCDRN CCC(C)(C)NC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000824685485 628683964 /nfs/dbraw/zinc/68/39/64/628683964.db2.gz FKKXRCHXKQTUMQ-AWEZNQCLSA-N 0 0 319.449 3.009 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cc(F)ccn1 ZINC000824828715 628698201 /nfs/dbraw/zinc/69/82/01/628698201.db2.gz DNMPCYIXSOVJHH-UHFFFAOYSA-N 0 0 303.337 3.370 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCCC(F)(F)CC2)cc1 ZINC000824898878 628703957 /nfs/dbraw/zinc/70/39/57/628703957.db2.gz RIPQOIMCIWRLTJ-UHFFFAOYSA-N 0 0 310.304 3.110 20 10 DGCDRN CCOCc1cc(CN[C@@H]2C[C@@H](C)n3ccnc32)ccc1OC ZINC000825016715 628716441 /nfs/dbraw/zinc/71/64/41/628716441.db2.gz GOADLZWJXKLTIU-CZUORRHYSA-N 0 0 315.417 3.224 20 10 DGCDRN C[C@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2[O-])c2nccn21 ZINC000825017678 628716702 /nfs/dbraw/zinc/71/67/02/628716702.db2.gz XDBWVJZTRWCUSP-JOYOIKCWSA-N 0 0 322.206 3.147 20 10 DGCDRN Cc1cc(Cl)cc(CN2CC[S@](=O)C(C)(C)CC2)c1O ZINC000825025190 628717325 /nfs/dbraw/zinc/71/73/25/628717325.db2.gz ZJQKTGSQEBFDCD-FQEVSTJZSA-N 0 0 315.866 3.087 20 10 DGCDRN CCN(CC)c1ccc(CN2CC[S@](=O)C(C)(C)CC2)cc1 ZINC000825025188 628717329 /nfs/dbraw/zinc/71/73/29/628717329.db2.gz ZIIKSJBSXCYEJP-QFIPXVFZSA-N 0 0 322.518 3.266 20 10 DGCDRN COc1cccc(CN2CCOC[C@@H]2c2ccc(F)cc2)c1O ZINC000825046806 628720436 /nfs/dbraw/zinc/72/04/36/628720436.db2.gz YBEANNYNOHPRBK-MRXNPFEDSA-N 0 0 317.360 3.113 20 10 DGCDRN CC[C@@H]1CC[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000825207357 628737687 /nfs/dbraw/zinc/73/76/87/628737687.db2.gz JBOCISPBTHIRPX-NWDGAFQWSA-N 0 0 308.378 3.320 20 10 DGCDRN CC(C)[N@@H+]1CC[C@H](N(C)Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000825337984 628751488 /nfs/dbraw/zinc/75/14/88/628751488.db2.gz KFMGIDWJMRNWIR-LBPRGKRZSA-N 0 0 300.805 3.099 20 10 DGCDRN C[C@@H]1CCN(Cc2ccc(Br)cc2O)C[C@@H]1F ZINC000825440815 628762180 /nfs/dbraw/zinc/76/21/80/628762180.db2.gz LDOORQMCGDKLGI-SKDRFNHKSA-N 0 0 302.187 3.335 20 10 DGCDRN O=C(NC[C@@H]1CC=CC[C@H]1C(F)(F)F)C1=CC(=O)CS1 ZINC000825487470 628767166 /nfs/dbraw/zinc/76/71/66/628767166.db2.gz KNBGMLDALBCWPJ-WCBMZHEXSA-N 0 0 305.321 3.328 20 10 DGCDRN CCCn1nccc1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000825709805 628788664 /nfs/dbraw/zinc/78/86/64/628788664.db2.gz BGLLTLNZWLIILO-UHFFFAOYSA-N 0 0 324.222 3.051 20 10 DGCDRN C/C(=C\C[N@H+](Cc1ccco1)Cc1ccccc1O)C(=O)[O-] ZINC000825730390 628792075 /nfs/dbraw/zinc/79/20/75/628792075.db2.gz WAZNZLLMKSOEDA-MDWZMJQESA-N 0 0 301.342 3.018 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2cccc3c2CCCC3)c1 ZINC000825841094 628802414 /nfs/dbraw/zinc/80/24/14/628802414.db2.gz ZFGOSRJPLMOLNO-UHFFFAOYSA-N 0 0 311.381 3.210 20 10 DGCDRN Cc1noc([C@H]2CC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)n1 ZINC000825875013 628806159 /nfs/dbraw/zinc/80/61/59/628806159.db2.gz XBVSWOKPUHKIFR-NSHDSACASA-N 0 0 307.781 3.035 20 10 DGCDRN CCC[C@H](OC)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000825904451 628809226 /nfs/dbraw/zinc/80/92/26/628809226.db2.gz AXNWWFGSUXYUGD-KRWDZBQOSA-N 0 0 317.385 3.329 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1cc2n(n1)CCC2 ZINC000825940411 628812342 /nfs/dbraw/zinc/81/23/42/628812342.db2.gz WLSUXPLHWUBNRY-UHFFFAOYSA-N 0 0 312.200 3.132 20 10 DGCDRN CO[C@H]1CC[N@H+](Cc2ccc(Br)cc2O)C[C@@H]1C ZINC000826062199 628824516 /nfs/dbraw/zinc/82/45/16/628824516.db2.gz NBSVXSYEXWBLAF-HZMBPMFUSA-N 0 0 314.223 3.012 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cncc(Cl)c1 ZINC000826137371 628830704 /nfs/dbraw/zinc/83/07/04/628830704.db2.gz QEDYQBYKFSAUAN-UHFFFAOYSA-N 0 0 316.788 3.249 20 10 DGCDRN CC(C)O[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000826530296 628856689 /nfs/dbraw/zinc/85/66/89/628856689.db2.gz DKAGWGRPFNIYLK-WMLDXEAASA-N 0 0 319.449 3.023 20 10 DGCDRN CC[C@@H]1CN(C(=O)/C=C(\C)c2cnccn2)c2ccccc2O1 ZINC000826559231 628859309 /nfs/dbraw/zinc/85/93/09/628859309.db2.gz IJFUMAPCYRDXRK-JWAFFJSPSA-N 0 0 309.369 3.084 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C=C/c1cccnc1C)C[C@@H](C)O2 ZINC000826562395 628859834 /nfs/dbraw/zinc/85/98/34/628859834.db2.gz LONOACGZPHRAPE-YSKGHYERSA-N 0 0 324.380 3.226 20 10 DGCDRN O=C(NCCCSc1nccs1)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000826693154 628874181 /nfs/dbraw/zinc/87/41/81/628874181.db2.gz RPPRXPVOQYAZIM-GRYCIOLGSA-N 0 0 311.476 3.113 20 10 DGCDRN Cc1cc(CC(=O)N(C)Cc2ncc[nH]2)c(C)n1-c1ccccc1 ZINC000826833248 628893298 /nfs/dbraw/zinc/89/32/98/628893298.db2.gz AJZSCGRKYWLSPT-UHFFFAOYSA-N 0 0 322.412 3.018 20 10 DGCDRN C[C@@H]1C[NH+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H](C)C1O ZINC000827152052 628928832 /nfs/dbraw/zinc/92/88/32/628928832.db2.gz PTTAZDSYLSVNCY-RKDXNWHRSA-N 0 0 304.217 3.148 20 10 DGCDRN C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)C1=CC(=O)CS1 ZINC000827223498 628938380 /nfs/dbraw/zinc/93/83/80/628938380.db2.gz HXOFNELFBNMPJN-HSMVNMDESA-N 0 0 317.410 3.444 20 10 DGCDRN COCC[NH+](CCOC)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000827316422 628948461 /nfs/dbraw/zinc/94/84/61/628948461.db2.gz ALZICEPJRJYBOZ-UHFFFAOYSA-N 0 0 320.477 3.080 20 10 DGCDRN CN(Cc1nnc(C2CC2)s1)Cc1ccc(N(C)C)cc1 ZINC000827368156 628953220 /nfs/dbraw/zinc/95/32/20/628953220.db2.gz KJXZZKQNYLVJQJ-UHFFFAOYSA-N 0 0 302.447 3.114 20 10 DGCDRN C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000827733815 628986836 /nfs/dbraw/zinc/98/68/36/628986836.db2.gz OZWKTSNCRWWWPW-APPDUMDISA-N 0 0 323.795 3.439 20 10 DGCDRN C[C@@H]1CN(Cc2cc(F)ccc2O)C[C@H](CC(F)(F)F)O1 ZINC000827787115 628991153 /nfs/dbraw/zinc/99/11/53/628991153.db2.gz MIOJUKQUNMDJQU-SKDRFNHKSA-N 0 0 307.287 3.073 20 10 DGCDRN Cc1ccc([C@@H]2C[C@H]2NC(=O)N(C)Cc2ccccc2O)cc1 ZINC000827789187 628991455 /nfs/dbraw/zinc/99/14/55/628991455.db2.gz ZQEKJSALLMRKJN-DLBZAZTESA-N 0 0 310.397 3.398 20 10 DGCDRN C[C@@H](NC(=O)CCc1ccc(N(C)C)cc1)c1ccccc1O ZINC000827923441 629003599 /nfs/dbraw/zinc/00/35/99/629003599.db2.gz QDQKGBXDAOTNQE-CQSZACIVSA-N 0 0 312.413 3.268 20 10 DGCDRN CCSc1ccc(C(=O)N[C@H](C)c2ccccc2O)cn1 ZINC000827930124 629004694 /nfs/dbraw/zinc/00/46/94/629004694.db2.gz BYZBNJCRTIJSBR-LLVKDONJSA-N 0 0 302.399 3.390 20 10 DGCDRN CC(C)Oc1ccc(C(=O)N[C@H](C)c2ccccc2O)cn1 ZINC000827930187 629004789 /nfs/dbraw/zinc/00/47/89/629004789.db2.gz FACVAMWZXUCQPV-GFCCVEGCSA-N 0 0 300.358 3.065 20 10 DGCDRN CC(C)c1ncc(Cl)c(C(=O)N[C@H](C)c2ccccc2O)n1 ZINC000827930911 629004801 /nfs/dbraw/zinc/00/48/01/629004801.db2.gz URTRQSFBXWUMNR-SNVBAGLBSA-N 0 0 319.792 3.450 20 10 DGCDRN CC(C)[C@H]1C[C@H](CC(=O)N[C@H](C)c2ccccc2O)CCO1 ZINC000827941741 629006061 /nfs/dbraw/zinc/00/60/61/629006061.db2.gz XNUSRGLPZITQHY-CKEIUWERSA-N 0 0 305.418 3.411 20 10 DGCDRN C[C@@H](NC(=O)[C@H]1CCC(=O)[C@@H](C)C1(C)C)c1ccccc1O ZINC000827940486 629006193 /nfs/dbraw/zinc/00/61/93/629006193.db2.gz DPGVMFGVVPHELE-YRGRVCCFSA-N 0 0 303.402 3.211 20 10 DGCDRN C[C@@H](NC(=O)C1(c2cccnc2)CCCC1)c1ccccc1O ZINC000827946494 629006394 /nfs/dbraw/zinc/00/63/94/629006394.db2.gz KAHVNRBFCAPEFZ-CQSZACIVSA-N 0 0 310.397 3.476 20 10 DGCDRN C[C@H](CC(=O)N[C@H](C)c1ccccc1O)N1CCc2ccccc21 ZINC000827952333 629007237 /nfs/dbraw/zinc/00/72/37/629007237.db2.gz OILSHOTUOWQUOF-HUUCEWRRSA-N 0 0 324.424 3.411 20 10 DGCDRN COc1ccc2c(c1)[C@@H](C(=O)N[C@@H](C)c1ccccc1O)CC2 ZINC000827969853 629009774 /nfs/dbraw/zinc/00/97/74/629009774.db2.gz SKFAGRIOHVCNTC-LRDDRELGSA-N 0 0 311.381 3.308 20 10 DGCDRN COc1ccc(OCCC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000827986811 629012042 /nfs/dbraw/zinc/01/20/42/629012042.db2.gz RZHRRWSSISWKMK-ZDUSSCGKSA-N 0 0 315.369 3.047 20 10 DGCDRN CCOC(=O)c1ccc(CN(CC)c2ccc(OC)cc2)nc1 ZINC000828172609 629030231 /nfs/dbraw/zinc/03/02/31/629030231.db2.gz LLVPUHZVJKMTGO-UHFFFAOYSA-N 0 0 314.385 3.293 20 10 DGCDRN COc1ccc(N(Cc2ccnc(OC)n2)C(C)C)cc1F ZINC000828267663 629040037 /nfs/dbraw/zinc/04/00/37/629040037.db2.gz LANUDOMKKAXWJM-UHFFFAOYSA-N 0 0 305.353 3.048 20 10 DGCDRN C[C@H](NC(=O)[C@]1(C)CCOc2ccccc21)c1ccccc1O ZINC000828539301 629064510 /nfs/dbraw/zinc/06/45/10/629064510.db2.gz KQCOOWXYILVIFD-ORAYPTAESA-N 0 0 311.381 3.310 20 10 DGCDRN C[C@H](NCc1nnc(C2CC2)s1)c1ccc(N(C)C)cc1 ZINC000828959599 629113816 /nfs/dbraw/zinc/11/38/16/629113816.db2.gz NSBUCAMSBMSFQM-NSHDSACASA-N 0 0 302.447 3.332 20 10 DGCDRN COC(=O)c1cnc(SCCCCn2ccnc2C)s1 ZINC000829681038 629182146 /nfs/dbraw/zinc/18/21/46/629182146.db2.gz MGXHGIAEFPBLIY-UHFFFAOYSA-N 0 0 311.432 3.007 20 10 DGCDRN Cc1cc(O)ccc1NS(=O)(=O)c1ccc(OC2CC2)cc1 ZINC000829863724 629202893 /nfs/dbraw/zinc/20/28/93/629202893.db2.gz AFXYGQUZADQJHH-UHFFFAOYSA-N 0 0 319.382 3.043 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)OC3CCCC3)CC2)cc1 ZINC000830124782 629228193 /nfs/dbraw/zinc/22/81/93/629228193.db2.gz PKOQQVBCQKZEMM-UHFFFAOYSA-N 0 0 318.417 3.287 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](OC)C1CCCC1 ZINC000830141118 629229792 /nfs/dbraw/zinc/22/97/92/629229792.db2.gz NDOMOWTUFROEMU-KRWDZBQOSA-N 0 0 305.418 3.336 20 10 DGCDRN CN(C)c1ccc(C[N@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1F ZINC000830636094 629290369 /nfs/dbraw/zinc/29/03/69/629290369.db2.gz VFPYCYJIEKGUMF-KMFMINBZSA-N 0 0 320.408 3.109 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2C[C@H](C)OC3(CCC3)C2)c1O ZINC000830716578 629297860 /nfs/dbraw/zinc/29/78/60/629297860.db2.gz WYNIMUGNKARGNY-NSHDSACASA-N 0 0 323.820 3.392 20 10 DGCDRN Nc1ccc(CC(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000831133200 629341921 /nfs/dbraw/zinc/34/19/21/629341921.db2.gz SSSNOMDGOBHQKT-STQMWFEESA-N 0 0 314.351 3.296 20 10 DGCDRN Cc1cc(CC(=O)NCc2ncoc2C)c(C)n1-c1ccccc1 ZINC000831392590 629372520 /nfs/dbraw/zinc/37/25/20/629372520.db2.gz DZQIHBBWCVNFJZ-UHFFFAOYSA-N 0 0 323.396 3.249 20 10 DGCDRN O=C(NCc1cc(Br)ccc1O)OC1CCCC1 ZINC000831521834 629385110 /nfs/dbraw/zinc/38/51/10/629385110.db2.gz PKDNRQAEOXWBOK-UHFFFAOYSA-N 0 0 314.179 3.324 20 10 DGCDRN COc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccccc2F)cc1C ZINC000832340312 629469429 /nfs/dbraw/zinc/46/94/29/629469429.db2.gz CLMUKTSUITXBPG-MRXNPFEDSA-N 0 0 303.333 3.058 20 10 DGCDRN C[C@H](NC(=O)c1onc2c1CCCC2)c1ccc(N(C)C)cc1 ZINC000832431861 629479618 /nfs/dbraw/zinc/47/96/18/629479618.db2.gz WWBBASQQOQEYFF-LBPRGKRZSA-N 0 0 313.401 3.110 20 10 DGCDRN CCOC[C@H](C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000832532645 629494334 /nfs/dbraw/zinc/49/43/34/629494334.db2.gz VHZKWUYFFJNOEA-AWEZNQCLSA-N 0 0 314.429 3.178 20 10 DGCDRN CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000832571264 629497254 /nfs/dbraw/zinc/49/72/54/629497254.db2.gz ZSTZCPJQQUIBAA-HUUCEWRRSA-N 0 0 311.809 3.295 20 10 DGCDRN CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000833420427 629602294 /nfs/dbraw/zinc/60/22/94/629602294.db2.gz ROMWRYLSHMLUSA-MRXNPFEDSA-N 0 0 317.429 3.204 20 10 DGCDRN C[N@H+](Cc1cc(Cl)ccc1O)[C@H](C(=O)[O-])c1ccccc1 ZINC000833694153 629641484 /nfs/dbraw/zinc/64/14/84/629641484.db2.gz BQYONMASPAVBAN-HNNXBMFYSA-N 0 0 305.761 3.303 20 10 DGCDRN COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2cc(C)c(C(=O)[O-])o2)c1 ZINC000833733969 629644127 /nfs/dbraw/zinc/64/41/27/629644127.db2.gz XDRUYMJIRQMTRK-GHMZBOCLSA-N 0 0 319.357 3.412 20 10 DGCDRN COc1ccc(F)c(/C=C2\SC(N3CCCCC3)=NC2=O)c1 ZINC000834408926 629706681 /nfs/dbraw/zinc/70/66/81/629706681.db2.gz OVTDWYKJVUQGIH-UVTDQMKNSA-N 0 0 320.389 3.291 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000101645687 629766559 /nfs/dbraw/zinc/76/65/59/629766559.db2.gz JKNXZEVSLDLEOA-UHFFFAOYSA-N 0 0 312.344 3.214 20 10 DGCDRN CC(C)[C@@H](N[C@@H]1CCc2cccc(O)c21)C(=O)OC(C)(C)C ZINC000834737307 629770460 /nfs/dbraw/zinc/77/04/60/629770460.db2.gz NBORWRAPCCCXNB-CZUORRHYSA-N 0 0 305.418 3.335 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCn2ccnc21)c1cccc(C(F)(F)F)c1[O-] ZINC000834831538 629785896 /nfs/dbraw/zinc/78/58/96/629785896.db2.gz JUXLDMKATUXMNN-CABZTGNLSA-N 0 0 311.307 3.403 20 10 DGCDRN C[C@H](CCO)CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000834829948 629786027 /nfs/dbraw/zinc/78/60/27/629786027.db2.gz AGIJUFUEFBIGSR-QWRGUYRKSA-N 0 0 305.340 3.470 20 10 DGCDRN C[C@H]([NH2+]CC1=CCOCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000834861297 629792873 /nfs/dbraw/zinc/79/28/73/629792873.db2.gz YZSQLEVAJNKTDH-JTQLQIEISA-N 0 0 301.308 3.408 20 10 DGCDRN CC[C@@H]([NH2+]C(COC)COC)c1cc(Cl)cc(Cl)c1[O-] ZINC000834891049 629798789 /nfs/dbraw/zinc/79/87/89/629798789.db2.gz LSQAPOSLLGWACV-CYBMUJFWSA-N 0 0 322.232 3.401 20 10 DGCDRN Cc1ccc([C@H](C)Nc2ccc(O[C@H]3CC(=O)N3)cc2)c(O)c1 ZINC000834898918 629802155 /nfs/dbraw/zinc/80/21/55/629802155.db2.gz SSFIXYKARJVKFA-SGTLLEGYSA-N 0 0 312.369 3.099 20 10 DGCDRN CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000834903225 629803740 /nfs/dbraw/zinc/80/37/40/629803740.db2.gz GOWPRQOZCQJJGL-GGZOMVNGSA-N 0 0 320.216 3.154 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000834907554 629805542 /nfs/dbraw/zinc/80/55/42/629805542.db2.gz WNLZAQQURBQKHG-HRDYMLBCSA-N 0 0 317.216 3.004 20 10 DGCDRN CN(C)c1ccc(/C=C\CN2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000835025875 629827593 /nfs/dbraw/zinc/82/75/93/629827593.db2.gz MICGULCIEYDTHJ-ABCZVMIZSA-N 0 0 314.351 3.029 20 10 DGCDRN COC(=O)[C@@H](NC/C=C/c1ccc(N(C)C)cc1)c1ccccc1 ZINC000835047745 629835310 /nfs/dbraw/zinc/83/53/10/629835310.db2.gz VQYMSDSVMVRNLX-UCFODXPJSA-N 0 0 324.424 3.270 20 10 DGCDRN CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000835070479 629843541 /nfs/dbraw/zinc/84/35/41/629843541.db2.gz OMGRUZQYOZERPP-KRWDZBQOSA-N 0 0 309.381 3.085 20 10 DGCDRN COC(=O)c1cccc2c1CC[N@H+](Cc1cc(C)ccc1O)C2 ZINC000835070820 629843962 /nfs/dbraw/zinc/84/39/62/629843962.db2.gz XHAKKQWEMIGBDW-UHFFFAOYSA-N 0 0 311.381 3.046 20 10 DGCDRN CS[C@@H](C)COC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000835678488 629981260 /nfs/dbraw/zinc/98/12/60/629981260.db2.gz TUYQYXMWZCTRFK-LBPRGKRZSA-N 0 0 304.415 3.397 20 10 DGCDRN Cc1cc(C(=O)O[C@H]2CCOC[C@@H]2C)c(C)n1-c1ccccn1 ZINC000835782194 630001842 /nfs/dbraw/zinc/00/18/42/630001842.db2.gz ITRFMEJFZBFISH-LRDDRELGSA-N 0 0 314.385 3.071 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@@H](C2CC2)C2CCC2)cc1 ZINC000836250359 630089740 /nfs/dbraw/zinc/08/97/40/630089740.db2.gz NIDFLRWVZUAZSX-QGZVFWFLSA-N 0 0 301.434 3.131 20 10 DGCDRN CC[C@H](C)[C@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)OC ZINC000836407465 630110822 /nfs/dbraw/zinc/11/08/22/630110822.db2.gz ZXMRPXJRTDCKKJ-ZQIUZPCESA-N 0 0 321.465 3.174 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCC2=CCCCC2)c1 ZINC000836521576 630127105 /nfs/dbraw/zinc/12/71/05/630127105.db2.gz YDNWVNPMFGUNJE-LBPRGKRZSA-N 0 0 304.390 3.261 20 10 DGCDRN CC[C@H](NC(=O)NCc1ccc(OC)cc1O)C1CCCC1 ZINC000836643636 630145176 /nfs/dbraw/zinc/14/51/76/630145176.db2.gz GTLONSSFTCPWPY-HNNXBMFYSA-N 0 0 306.406 3.169 20 10 DGCDRN CC(C)[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1C(C)C ZINC000836888013 630180214 /nfs/dbraw/zinc/18/02/14/630180214.db2.gz IGJAKXPARQKEHI-YPWKKJFASA-N 0 0 303.402 3.250 20 10 DGCDRN C[C@@H](CC(F)(F)F)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000837342354 630244003 /nfs/dbraw/zinc/24/40/03/630244003.db2.gz SKVGEIXHAJVXPO-LBPRGKRZSA-N 0 0 314.351 3.492 20 10 DGCDRN C[C@@H](NC(=O)[C@@H](C)C1CCC1)c1ccc(N2CCOCC2)cc1 ZINC000837367904 630248784 /nfs/dbraw/zinc/24/87/84/630248784.db2.gz LFGSPXLYKIYNQB-LSDHHAIUSA-N 0 0 316.445 3.137 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Cc2cccc(C(C)C)c2)c1 ZINC000837484528 630265062 /nfs/dbraw/zinc/26/50/62/630265062.db2.gz HFNOLJLRYAUVCJ-UHFFFAOYSA-N 0 0 313.397 3.383 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OC[C@H]1CCCCC1(F)F ZINC000837586926 630280042 /nfs/dbraw/zinc/28/00/42/630280042.db2.gz HLLGGHHFQBFQCP-SMYYYNMVSA-N 0 0 312.312 3.480 20 10 DGCDRN Cc1cc(N(C)C)ccc1[C@@H]1NC2(CC2)C(=O)N1c1ccccc1 ZINC000840828882 630363105 /nfs/dbraw/zinc/36/31/05/630363105.db2.gz SHPSJXVKUCOOSO-GOSISDBHSA-N 0 0 321.424 3.229 20 10 DGCDRN Cc1cc(O)c(CN2CCN(c3ccccn3)CC2)c(Cl)c1 ZINC000840907997 630375960 /nfs/dbraw/zinc/37/59/60/630375960.db2.gz LUZAIRNEBJBLGT-UHFFFAOYSA-N 0 0 317.820 3.071 20 10 DGCDRN Cc1cc(O)c(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)c(Cl)c1 ZINC000840912031 630376598 /nfs/dbraw/zinc/37/65/98/630376598.db2.gz YGLWYDIUMLBILL-CYBMUJFWSA-N 0 0 319.836 3.467 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN[C@@H](CO)c1c(F)cccc1F ZINC000840934363 630380101 /nfs/dbraw/zinc/38/01/01/630380101.db2.gz POGZPESIJOQJKK-KRWDZBQOSA-N 0 0 320.383 3.162 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1cnn(Cc2ccncc2)c1 ZINC000840937792 630380740 /nfs/dbraw/zinc/38/07/40/630380740.db2.gz XYROFCPDZTZYSY-UHFFFAOYSA-N 0 0 321.428 3.313 20 10 DGCDRN CC[C@H]([NH2+]Cc1cccc(Br)c1[O-])[C@@H](O)C(C)C ZINC000840966468 630388102 /nfs/dbraw/zinc/38/81/02/630388102.db2.gz FYGVANRZJIEZPT-STQMWFEESA-N 0 0 316.239 3.040 20 10 DGCDRN CC[C@@H]([NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)C(=O)[O-] ZINC000840996548 630392481 /nfs/dbraw/zinc/39/24/81/630392481.db2.gz ZPGOVYPTCGOYOL-GOSISDBHSA-N 0 0 324.424 3.202 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCOCC(F)(F)F ZINC000104154202 630402307 /nfs/dbraw/zinc/40/23/07/630402307.db2.gz DMZCRMYYTGBWFI-UHFFFAOYSA-N 0 0 318.122 3.368 20 10 DGCDRN CCO[C@H](CC)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000841141727 630411359 /nfs/dbraw/zinc/41/13/59/630411359.db2.gz IUGNPNJLCUDSRY-CQSZACIVSA-N 0 0 324.384 3.150 20 10 DGCDRN C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(N)cc1 ZINC000841296611 630424017 /nfs/dbraw/zinc/42/40/17/630424017.db2.gz WFOWTSCGVAMELE-SKDRFNHKSA-N 0 0 301.312 3.464 20 10 DGCDRN Nc1ccc(NC(=O)N2CCC(Cc3cccnc3)CC2)cc1 ZINC000841295795 630424100 /nfs/dbraw/zinc/42/41/00/630424100.db2.gz GPIWUBUNCGETAN-UHFFFAOYSA-N 0 0 310.401 3.150 20 10 DGCDRN CCC1(CC)[C@H](NC(=O)Nc2ccc(N)cc2)[C@H](C)[C@H]1OC ZINC000841295581 630424102 /nfs/dbraw/zinc/42/41/02/630424102.db2.gz BVCYYYKCXICKHD-NILFDRSVSA-N 0 0 305.422 3.230 20 10 DGCDRN C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(N)cc1 ZINC000841296609 630424118 /nfs/dbraw/zinc/42/41/18/630424118.db2.gz WFOWTSCGVAMELE-JOYOIKCWSA-N 0 0 301.312 3.464 20 10 DGCDRN CCC[C@H](NC(=O)Nc1ccc(N)cc1)[C@H](O)c1ccccc1 ZINC000841296622 630424255 /nfs/dbraw/zinc/42/42/55/630424255.db2.gz GPQNGLXJBVHSAD-DLBZAZTESA-N 0 0 313.401 3.293 20 10 DGCDRN C[C@H](NC(=O)Nc1ccc(N)cc1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000841298749 630424450 /nfs/dbraw/zinc/42/44/50/630424450.db2.gz DDBUAQFIZOHRSQ-BWACUDIHSA-N 0 0 311.385 3.344 20 10 DGCDRN C[C@@]1(CCNC(=O)Nc2ccc(N)cc2)CC1(Cl)Cl ZINC000841297133 630424506 /nfs/dbraw/zinc/42/45/06/630424506.db2.gz APASZHNJDRVMKU-GFCCVEGCSA-N 0 0 302.205 3.364 20 10 DGCDRN C[C@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@@H](c2ccsc2)O1 ZINC000841300911 630425065 /nfs/dbraw/zinc/42/50/65/630425065.db2.gz WORJLHXRMQEWGS-NHYWBVRUSA-N 0 0 317.414 3.324 20 10 DGCDRN CO[C@H](CC(C)C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000841347373 630431616 /nfs/dbraw/zinc/43/16/16/630431616.db2.gz RNIFJVHNQJQGAL-CRAIPNDOSA-N 0 0 320.477 3.169 20 10 DGCDRN Cc1cc(N(C)C)ccc1/C=C1\SC(=S)N(C2CC2)C1=O ZINC000841497393 630442392 /nfs/dbraw/zinc/44/23/92/630442392.db2.gz WPBGLSOSKXZRSL-ZROIWOOFSA-N 0 0 318.467 3.425 20 10 DGCDRN CC[C@@H](CNC(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC000841645644 630451164 /nfs/dbraw/zinc/45/11/64/630451164.db2.gz DYHXYCHQFBCRIW-INIZCTEOSA-N 0 0 311.429 3.304 20 10 DGCDRN Nc1ccc(CCNC(=O)N[C@H](c2cccs2)C2CC2)cc1 ZINC000841673479 630453928 /nfs/dbraw/zinc/45/39/28/630453928.db2.gz RODXXILPHQGNJT-INIZCTEOSA-N 0 0 315.442 3.323 20 10 DGCDRN Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCCc1ccc(N)cc1 ZINC000841734796 630460525 /nfs/dbraw/zinc/46/05/25/630460525.db2.gz NNJZFZMRRNSMDT-SFHVURJKSA-N 0 0 309.413 3.106 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]C[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000841815696 630468124 /nfs/dbraw/zinc/46/81/24/630468124.db2.gz JHFOQVWWETYKLB-INIZCTEOSA-N 0 0 306.450 3.369 20 10 DGCDRN C[C@H](CNC(=O)NCCc1ccc(N)cc1)Cc1cccs1 ZINC000841836645 630470636 /nfs/dbraw/zinc/47/06/36/630470636.db2.gz XSOIVCRNFQIXNH-ZDUSSCGKSA-N 0 0 317.458 3.051 20 10 DGCDRN CC(C)(CNC(=O)NCCc1ccc(N)cc1)C1CCCC1 ZINC000841865023 630472114 /nfs/dbraw/zinc/47/21/14/630472114.db2.gz YRCNBTMYXDYBRN-UHFFFAOYSA-N 0 0 303.450 3.327 20 10 DGCDRN C[C@@H]1CCc2ccccc2[C@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841869851 630472575 /nfs/dbraw/zinc/47/25/75/630472575.db2.gz QZHHDHNQMKOXSG-KUHUBIRLSA-N 0 0 323.440 3.434 20 10 DGCDRN CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@@H]1CC1(C)C ZINC000841890742 630473408 /nfs/dbraw/zinc/47/34/08/630473408.db2.gz KAZUZURKVHMNSG-NWDGAFQWSA-N 0 0 308.378 3.223 20 10 DGCDRN Nc1ccc(CCNC(=O)NCC[C@@H]2CCc3ccccc32)cc1 ZINC000841907936 630475114 /nfs/dbraw/zinc/47/51/14/630475114.db2.gz UFWBTZMZPGROKR-KRWDZBQOSA-N 0 0 323.440 3.231 20 10 DGCDRN C[C@H]1[C@H](c2ccccc2)CCN1C(=O)NCCc1ccc(N)cc1 ZINC000841957328 630476897 /nfs/dbraw/zinc/47/68/97/630476897.db2.gz HTLSPSKLVLYYOS-HNAYVOBHSA-N 0 0 323.440 3.399 20 10 DGCDRN CC1(C2CC2)CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841956322 630477003 /nfs/dbraw/zinc/47/70/03/630477003.db2.gz CFKWYTHVMZKIKC-UHFFFAOYSA-N 0 0 301.434 3.033 20 10 DGCDRN Cc1cccc([C@@H]2CCCN2C(=O)NCCc2ccc(N)cc2)n1 ZINC000841960301 630477165 /nfs/dbraw/zinc/47/71/65/630477165.db2.gz LJIDHWVIMTZDGE-SFHVURJKSA-N 0 0 324.428 3.061 20 10 DGCDRN Cc1cccc([C@H]2CCCN2C(=O)NCCc2ccc(N)cc2)n1 ZINC000841960300 630477194 /nfs/dbraw/zinc/47/71/94/630477194.db2.gz LJIDHWVIMTZDGE-GOSISDBHSA-N 0 0 324.428 3.061 20 10 DGCDRN CCc1ccc(CN(C)C(=O)NCCc2ccc(N)cc2)cc1 ZINC000841962749 630477303 /nfs/dbraw/zinc/47/73/03/630477303.db2.gz QVVQGEWWWZSJNQ-UHFFFAOYSA-N 0 0 311.429 3.215 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CCC[C@H]2c2cccs2)cc1 ZINC000841963365 630477948 /nfs/dbraw/zinc/47/79/48/630477948.db2.gz ZUJYDHVATWMQRD-HNNXBMFYSA-N 0 0 315.442 3.420 20 10 DGCDRN Cc1cc(C(=O)CSCCO)c(C)n1-c1ccc(Cl)cn1 ZINC000842023899 630479783 /nfs/dbraw/zinc/47/97/83/630479783.db2.gz JGOJGLDUUAPBNO-UHFFFAOYSA-N 0 0 324.833 3.051 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)c3cn(C4CCC4)nn3)cc12 ZINC000842820919 630578945 /nfs/dbraw/zinc/57/89/45/630578945.db2.gz KYTLZBWISRPLBS-UHFFFAOYSA-N 0 0 324.384 3.331 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)[C@@H](C)C(C)C)C2)cc1 ZINC000842880279 630588574 /nfs/dbraw/zinc/58/85/74/630588574.db2.gz WCGXWEMAHDXKPN-GJZGRUSLSA-N 0 0 305.418 3.357 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)[C@@H]3CC34CCC4)C2)cc1 ZINC000842878085 630588650 /nfs/dbraw/zinc/58/86/50/630588650.db2.gz HAMRQKYAAOCTAC-PBHICJAKSA-N 0 0 315.413 3.255 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000843041559 630607028 /nfs/dbraw/zinc/60/70/28/630607028.db2.gz SFJGTWOMZFIAEZ-RHSMWYFYSA-N 0 0 304.434 3.075 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1CN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000843047969 630608004 /nfs/dbraw/zinc/60/80/04/630608004.db2.gz FSQDJFUDZIFOBW-CABCVRRESA-N 0 0 312.816 3.291 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000843048029 630608272 /nfs/dbraw/zinc/60/82/72/630608272.db2.gz JOJXUOCTUHQDSY-ZIAGYGMSSA-N 0 0 312.816 3.291 20 10 DGCDRN C[C@@]1(c2nc(Cc3ccc(N)cc3)no2)CCc2ccccc21 ZINC000843159720 630623499 /nfs/dbraw/zinc/62/34/99/630623499.db2.gz AHDUIPTZCGBKOJ-LJQANCHMSA-N 0 0 305.381 3.495 20 10 DGCDRN Nc1ccc(Cc2nc(-c3ccc(OCC4CC4)nc3)no2)cc1 ZINC000843182800 630628912 /nfs/dbraw/zinc/62/89/12/630628912.db2.gz IEWCPYHFGHSYBF-UHFFFAOYSA-N 0 0 322.368 3.093 20 10 DGCDRN O=C([O-])[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843304032 630644256 /nfs/dbraw/zinc/64/42/56/630644256.db2.gz RNAREHSOLMALJU-SJORKVTESA-N 0 0 316.445 3.410 20 10 DGCDRN CCn1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000843527114 630666059 /nfs/dbraw/zinc/66/60/59/630666059.db2.gz HRGYFGHUBJOFNZ-UHFFFAOYSA-N 0 0 314.433 3.020 20 10 DGCDRN CSc1cccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000843581269 630674592 /nfs/dbraw/zinc/67/45/92/630674592.db2.gz QVRMEFIXBJZJQP-GFCCVEGCSA-N 0 0 315.442 3.361 20 10 DGCDRN COc1cccc(CNC(=O)[C@H]2CCCC[C@@H]2C2CC2)c1O ZINC000843831891 630701785 /nfs/dbraw/zinc/70/17/85/630701785.db2.gz SIQVVXZESQWRLB-CABCVRRESA-N 0 0 303.402 3.233 20 10 DGCDRN COC[C@H]1CCN1C(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC000843893410 630702908 /nfs/dbraw/zinc/70/29/08/630702908.db2.gz OBIHUUAEJCYWEZ-MRXNPFEDSA-N 0 0 312.413 3.263 20 10 DGCDRN COc1ccc(N(C)C[C@@H](O)COc2ccccc2Cl)cc1 ZINC000844353041 630720643 /nfs/dbraw/zinc/72/06/43/630720643.db2.gz DPLVLDDSVHEIRB-CQSZACIVSA-N 0 0 321.804 3.225 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)OCC23CCC3)c1O ZINC000844422781 630727801 /nfs/dbraw/zinc/72/78/01/630727801.db2.gz PFFBMXFDWLWZCL-LLVKDONJSA-N 0 0 323.820 3.392 20 10 DGCDRN CSCC1(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000844484349 630734115 /nfs/dbraw/zinc/73/41/15/630734115.db2.gz DERZTYIQGLOFIM-ZDUSSCGKSA-N 0 0 306.475 3.463 20 10 DGCDRN CCCC(C)(C)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000844601688 630742295 /nfs/dbraw/zinc/74/22/95/630742295.db2.gz HMXJRHMXOAUQDP-HNNXBMFYSA-N 0 0 318.461 3.464 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)C(C)(C)C2CC2)cc1 ZINC000844857076 630947192 /nfs/dbraw/zinc/94/71/92/630947192.db2.gz PMJBLVVJMUXPGI-UHFFFAOYSA-N 0 0 304.434 3.026 20 10 DGCDRN COc1cccc(CNC(=O)c2ccc3c(c2)CCCC3)c1O ZINC000105652288 630950859 /nfs/dbraw/zinc/95/08/59/630950859.db2.gz SWOZMGORXUIVCZ-UHFFFAOYSA-N 0 0 311.381 3.210 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CNc2ccccc2C1 ZINC000844904566 630972774 /nfs/dbraw/zinc/97/27/74/630972774.db2.gz CQGOJIQRQZOOCR-NSHDSACASA-N 0 0 306.768 3.311 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CNc2ccccc2C1)c1cc(F)cc(F)c1[O-] ZINC000844920868 630983129 /nfs/dbraw/zinc/98/31/29/630983129.db2.gz NQVCRIWQRDKKSU-ZWNOBZJWSA-N 0 0 304.340 3.358 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CCCCCO2)cc1F ZINC000844965389 631012654 /nfs/dbraw/zinc/01/26/54/631012654.db2.gz RHSVGZPFZWQNQO-UHFFFAOYSA-N 0 0 323.412 3.299 20 10 DGCDRN COC(C)(C)C[C@@H](C)NC(=O)NCc1cc(Cl)ccc1O ZINC000845012427 631035393 /nfs/dbraw/zinc/03/53/93/631035393.db2.gz CZNVHJJHAFOOKI-SNVBAGLBSA-N 0 0 314.813 3.048 20 10 DGCDRN COc1ccc(O)c([C@@H](C)Nc2nnc(C(F)(F)F)s2)c1 ZINC000845486503 631178182 /nfs/dbraw/zinc/17/81/82/631178182.db2.gz QHBBVGPXPOUJRY-ZCFIWIBFSA-N 0 0 319.308 3.444 20 10 DGCDRN Oc1ccc(Cl)cc1CNc1cc(N2CCCCC2)ncn1 ZINC000845709039 631190670 /nfs/dbraw/zinc/19/06/70/631190670.db2.gz LOCITSVEGWPVOA-UHFFFAOYSA-N 0 0 318.808 3.438 20 10 DGCDRN COc1ccc(N(C)Cc2cc(OC)c(OC)cc2F)cc1 ZINC000845997957 631205180 /nfs/dbraw/zinc/20/51/80/631205180.db2.gz GTMLTZFLRURNKC-UHFFFAOYSA-N 0 0 305.349 3.488 20 10 DGCDRN COc1ccc(N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000845999660 631205254 /nfs/dbraw/zinc/20/52/54/631205254.db2.gz XGTOOPKFRDSNHU-UHFFFAOYSA-N 0 0 312.413 3.168 20 10 DGCDRN COc1cccc(CN2CCCCN2C(=O)OC(C)(C)C)c1O ZINC000846070871 631209281 /nfs/dbraw/zinc/20/92/81/631209281.db2.gz ZMPWGKKVIKPAJZ-UHFFFAOYSA-N 0 0 322.405 3.149 20 10 DGCDRN COCc1ccnc(NCc2cc(Cl)cc(OC)c2O)c1 ZINC000846117366 631210624 /nfs/dbraw/zinc/21/06/24/631210624.db2.gz NYSOTJUSMLPUEL-UHFFFAOYSA-N 0 0 308.765 3.208 20 10 DGCDRN COc1cc(Br)cc(CN2CCC[C@H](F)C2)c1O ZINC000846119173 631210852 /nfs/dbraw/zinc/21/08/52/631210852.db2.gz BOSIHHYWZZBTCC-NSHDSACASA-N 0 0 318.186 3.097 20 10 DGCDRN [O-]c1c(Br)cccc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000846118176 631210891 /nfs/dbraw/zinc/21/08/91/631210891.db2.gz UZXPNFZBMBDMQP-GFCCVEGCSA-N 0 0 318.161 3.386 20 10 DGCDRN COc1cccc([C@H](C)Nc2ccc3c(c2)N(C)CCO3)c1O ZINC000846161895 631212940 /nfs/dbraw/zinc/21/29/40/631212940.db2.gz HALIAQGODIRCOB-LBPRGKRZSA-N 0 0 314.385 3.403 20 10 DGCDRN COc1cccc([C@@H](C)N[C@H]2COc3cc(F)cc(F)c32)c1O ZINC000846162069 631213059 /nfs/dbraw/zinc/21/30/59/631213059.db2.gz GHBRTNKMEZBPQD-RNCFNFMXSA-N 0 0 321.323 3.463 20 10 DGCDRN COc1cccc([C@H](C)Nc2cccc(CCCO)c2)c1O ZINC000846162384 631213111 /nfs/dbraw/zinc/21/31/11/631213111.db2.gz GSNFUWWRNIZEMD-ZDUSSCGKSA-N 0 0 301.386 3.499 20 10 DGCDRN COCCc1ccnc(N[C@H](C)c2cccc(OC)c2O)c1 ZINC000846173574 631213464 /nfs/dbraw/zinc/21/34/64/631213464.db2.gz TULXIUGPQGGQCE-GFCCVEGCSA-N 0 0 302.374 3.158 20 10 DGCDRN Cc1cc(C[N@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)ccc1N(C)C ZINC000846265608 631218405 /nfs/dbraw/zinc/21/84/05/631218405.db2.gz NGAJROZYFLUSHT-NJAFHUGGSA-N 0 0 316.445 3.279 20 10 DGCDRN CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000846281900 631220790 /nfs/dbraw/zinc/22/07/90/631220790.db2.gz RUWHRXCGIJEZGY-HNNXBMFYSA-N 0 0 304.434 3.220 20 10 DGCDRN Cc1cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]2C)ccc1N1CCCCC1 ZINC000846282724 631221127 /nfs/dbraw/zinc/22/11/27/631221127.db2.gz ASGAHTDIMMJNNF-RDJZCZTQSA-N 0 0 316.445 3.280 20 10 DGCDRN CC(C)(C(=O)NCc1cc(Cl)ccc1O)c1ccccn1 ZINC000846473547 631249459 /nfs/dbraw/zinc/24/94/59/631249459.db2.gz MUQBQJYTYHNWGZ-UHFFFAOYSA-N 0 0 304.777 3.035 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1coc(C2CCC2)n1 ZINC000846473954 631249712 /nfs/dbraw/zinc/24/97/12/631249712.db2.gz OSRMPKDRGXLCPM-UHFFFAOYSA-N 0 0 306.749 3.231 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)C1CCC(F)(F)CC1 ZINC000846475212 631250406 /nfs/dbraw/zinc/25/04/06/631250406.db2.gz DJFAPVZDRKLNJD-UHFFFAOYSA-N 0 0 303.736 3.487 20 10 DGCDRN C[C@@H]1CCCC[C@H]1OCC(=O)NCc1cc(Cl)ccc1O ZINC000846476343 631250614 /nfs/dbraw/zinc/25/06/14/631250614.db2.gz NQZPGTBSSPIVNT-IAQYHMDHSA-N 0 0 311.809 3.257 20 10 DGCDRN C[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCc2ccccc21 ZINC000846515849 631254625 /nfs/dbraw/zinc/25/46/25/631254625.db2.gz FHLVKLNGXKCWHK-KGXGESDWSA-N 0 0 323.392 3.299 20 10 DGCDRN CC[C@H](OCCNC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000846687799 631284874 /nfs/dbraw/zinc/28/48/74/631284874.db2.gz GEQAYQDAMKNOPQ-SFHVURJKSA-N 0 0 312.413 3.095 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(OC)o2)cc1 ZINC000846826234 631319015 /nfs/dbraw/zinc/31/90/15/631319015.db2.gz QKWAWFMILZUDAF-UHFFFAOYSA-N 0 0 302.374 3.064 20 10 DGCDRN C/C(=C/c1ccccn1)C(=O)NCc1ccc(N(C)C)cc1C ZINC000846876649 631336856 /nfs/dbraw/zinc/33/68/56/631336856.db2.gz WGQSIHJSDJRTLA-PTNGSMBKSA-N 0 0 309.413 3.176 20 10 DGCDRN COc1ccc(CNC(=O)C2[C@@H]3CCCCCC[C@@H]23)c(O)c1 ZINC000846951539 631363428 /nfs/dbraw/zinc/36/34/28/631363428.db2.gz WRFQOFZLDZGCJE-HUUCEWRRSA-N 0 0 303.402 3.233 20 10 DGCDRN CN(CCOC[C@@H]1CCCO1)c1ccc(-c2nccs2)cc1 ZINC000846992713 631376203 /nfs/dbraw/zinc/37/62/03/631376203.db2.gz LZGIFQMQZMKSBG-INIZCTEOSA-N 0 0 318.442 3.442 20 10 DGCDRN CC(C)COC[C@H](O)CN(C)c1ccc(-c2nccs2)cc1 ZINC000846995264 631377240 /nfs/dbraw/zinc/37/72/40/631377240.db2.gz ZGDIFNBUMNCCEX-MRXNPFEDSA-N 0 0 320.458 3.280 20 10 DGCDRN C/C(=C/c1ccccn1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000847304067 631456855 /nfs/dbraw/zinc/45/68/55/631456855.db2.gz FVRBCFQAISUDAB-SQFISAMPSA-N 0 0 309.413 3.210 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(F)ccnc1F ZINC000847400100 631472326 /nfs/dbraw/zinc/47/23/26/631472326.db2.gz YESQMLLIPNMQMJ-UHFFFAOYSA-N 0 0 319.355 3.088 20 10 DGCDRN C/C(=C\c1ccco1)C(=O)NCCCSc1nccs1 ZINC000847487697 631481405 /nfs/dbraw/zinc/48/14/05/631481405.db2.gz IAJSNSPLWKJVQM-ZHACJKMWSA-N 0 0 308.428 3.438 20 10 DGCDRN C[C@@H](CC(=O)N(C)Cc1ccccc1O)N1CCc2ccccc21 ZINC000847570442 631491207 /nfs/dbraw/zinc/49/12/07/631491207.db2.gz PCTXKZXGMGALMD-HNNXBMFYSA-N 0 0 324.424 3.192 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccn(C(C)(C)C)n1 ZINC000847571695 631492347 /nfs/dbraw/zinc/49/23/47/631492347.db2.gz FMCJNQSFIRXQNB-UHFFFAOYSA-N 0 0 315.417 3.396 20 10 DGCDRN CCCCNc1ccccc1C(=O)NCc1ccc(O)c(O)c1 ZINC000847590753 631493940 /nfs/dbraw/zinc/49/39/40/631493940.db2.gz GMTGSNOPKHIQGA-UHFFFAOYSA-N 0 0 314.385 3.240 20 10 DGCDRN C/C(=C\c1cccnc1)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000847590569 631494064 /nfs/dbraw/zinc/49/40/64/631494064.db2.gz ATGOPCAYRSTJGZ-SDNWHVSQSA-N 0 0 322.408 3.386 20 10 DGCDRN Cc1cnc2cc(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)ccn12 ZINC000847760588 631534140 /nfs/dbraw/zinc/53/41/40/631534140.db2.gz MDPMPLILRUIDPH-AWEZNQCLSA-N 0 0 322.412 3.200 20 10 DGCDRN COc1cccc(CNC(=O)c2sccc2SC)c1O ZINC000107352502 631603447 /nfs/dbraw/zinc/60/34/47/631603447.db2.gz AVZIWMAMTLRRQQ-UHFFFAOYSA-N 0 0 309.412 3.114 20 10 DGCDRN CC[C@@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1ccc(F)cc1[O-] ZINC000848566249 631695413 /nfs/dbraw/zinc/69/54/13/631695413.db2.gz SFFAQBSMZAUJMB-NJAFHUGGSA-N 0 0 301.361 3.230 20 10 DGCDRN CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCCO1 ZINC000848567910 631696002 /nfs/dbraw/zinc/69/60/02/631696002.db2.gz SLJGDGWLBLJDSX-WPGHFRTFSA-N 0 0 308.378 3.299 20 10 DGCDRN COC(=O)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000848573569 631699070 /nfs/dbraw/zinc/69/90/70/631699070.db2.gz VOWFEXQGDFGNHK-LBPRGKRZSA-N 0 0 317.360 3.098 20 10 DGCDRN CC(C)c1ccccc1/C=C1\SC(N2CCOCC2)=NC1=O ZINC000848639452 631715716 /nfs/dbraw/zinc/71/57/16/631715716.db2.gz VDXPBCAFNKMUAX-PTNGSMBKSA-N 0 0 316.426 3.113 20 10 DGCDRN CCc1cccc(CN2C[C@H](C)NC(=O)c3ccccc32)c1O ZINC000848913103 631784283 /nfs/dbraw/zinc/78/42/83/631784283.db2.gz OEJMYMFIGZJJKQ-ZDUSSCGKSA-N 0 0 310.397 3.093 20 10 DGCDRN CN(C)c1ccc(/C=C\CN2Cc3ccccc3NC(=O)C2)cc1 ZINC000848925262 631789934 /nfs/dbraw/zinc/78/99/34/631789934.db2.gz APFHSMQSLSIFCK-WAYWQWQTSA-N 0 0 321.424 3.220 20 10 DGCDRN Cc1cccc(CN(CC(=O)OC(C)(C)C)C2CCC2)c1O ZINC000848927543 631790675 /nfs/dbraw/zinc/79/06/75/631790675.db2.gz HIMHAAITBYQEBF-UHFFFAOYSA-N 0 0 305.418 3.397 20 10 DGCDRN C[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])C(=O)OC(C)(C)C ZINC000848926142 631790998 /nfs/dbraw/zinc/79/09/98/631790998.db2.gz LRBXRSMOBISMKO-VIFPVBQESA-N 0 0 317.788 3.252 20 10 DGCDRN Cc1cccc(CN[C@@H](C[C@H]2CCCO2)C(F)(F)F)c1O ZINC000848927784 631791163 /nfs/dbraw/zinc/79/11/63/631791163.db2.gz NQBKXXUZDAJCFP-OLZOCXBDSA-N 0 0 303.324 3.290 20 10 DGCDRN Oc1ccc(F)cc1CN[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000848928191 631792417 /nfs/dbraw/zinc/79/24/17/631792417.db2.gz WWZZJEVBOBYFAM-DGCLKSJQSA-N 0 0 307.287 3.121 20 10 DGCDRN COc1ccnc(CNC(=S)Nc2ccc(C)cc2C)c1F ZINC000849296249 631883223 /nfs/dbraw/zinc/88/32/23/631883223.db2.gz BRLVNTXTISOEKQ-UHFFFAOYSA-N 0 0 319.405 3.333 20 10 DGCDRN CC[C@H](C)Oc1cccc(S(=O)(=O)Nc2ccc(O)cc2)c1 ZINC000849305478 631886786 /nfs/dbraw/zinc/88/67/86/631886786.db2.gz NAAWKYRXXCYPLL-LBPRGKRZSA-N 0 0 321.398 3.370 20 10 DGCDRN Cc1cc(C(=O)O[C@@H]2COC(C)(C)C2)c(C)n1-c1ccccn1 ZINC000849679574 631934317 /nfs/dbraw/zinc/93/43/17/631934317.db2.gz JZTLKACLOZARLL-AWEZNQCLSA-N 0 0 314.385 3.213 20 10 DGCDRN CC[C@@H](COCC1CC1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000850351662 632121706 /nfs/dbraw/zinc/12/17/06/632121706.db2.gz QVJISFNNHYOKCJ-NSHDSACASA-N 0 0 301.789 3.480 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000850373177 632129884 /nfs/dbraw/zinc/12/98/84/632129884.db2.gz DHGBBTYOSHMBKS-HIFRSBDPSA-N 0 0 307.752 3.453 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000850379941 632133403 /nfs/dbraw/zinc/13/34/03/632133403.db2.gz JQJDJWJQMNYZDK-YPMHNXCESA-N 0 0 321.726 3.089 20 10 DGCDRN CN(C)c1ccc(CNc2ccn(C3CCOCC3)n2)cc1F ZINC000850384808 632134959 /nfs/dbraw/zinc/13/49/59/632134959.db2.gz QXOHEGHVTZLUCE-UHFFFAOYSA-N 0 0 318.396 3.052 20 10 DGCDRN COc1cccc(CNCC(F)(F)c2ccc(F)cc2)c1O ZINC000850400459 632139633 /nfs/dbraw/zinc/13/96/33/632139633.db2.gz FGLUULLDTRIQOH-UHFFFAOYSA-N 0 0 311.303 3.422 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCC1SCCS1 ZINC000850407199 632142442 /nfs/dbraw/zinc/14/24/42/632142442.db2.gz SLVBNPSOBFJTIO-UHFFFAOYSA-N 0 0 307.843 3.471 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](COC)C1CCOCC1)c1ccc(F)cc1[O-] ZINC000850494862 632170641 /nfs/dbraw/zinc/17/06/41/632170641.db2.gz YNDVJKJXDWFPRB-CVEARBPZSA-N 0 0 311.397 3.014 20 10 DGCDRN CC[C@H](COCC1CC1)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000850494621 632170893 /nfs/dbraw/zinc/17/08/93/632170893.db2.gz RDLCDGKDFTWRRA-SWLSCSKDSA-N 0 0 321.417 3.035 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC[C@@]2(C)CC2(F)F)c1 ZINC000850535766 632184718 /nfs/dbraw/zinc/18/47/18/632184718.db2.gz BEXUXLAUHMKTKM-BMIGLBTASA-N 0 0 313.344 3.265 20 10 DGCDRN C[C@H]([NH2+]CC[C@]1(C)CC1(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850536902 632186195 /nfs/dbraw/zinc/18/61/95/632186195.db2.gz OWAJJKFSTJJGKI-TVQRCGJNSA-N 0 0 300.305 3.386 20 10 DGCDRN C[C@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1cc(F)cc(F)c1[O-] ZINC000850565940 632196474 /nfs/dbraw/zinc/19/64/74/632196474.db2.gz HYLPDLWPLJNBQD-VIFPVBQESA-N 0 0 321.314 3.261 20 10 DGCDRN C[C@@H]([NH2+]CCC1SCCS1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850571333 632198435 /nfs/dbraw/zinc/19/84/35/632198435.db2.gz UIONMRGISKJCBP-SECBINFHSA-N 0 0 314.432 3.147 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](O)[C@@H](C)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000850574645 632199306 /nfs/dbraw/zinc/19/93/06/632199306.db2.gz ZXQDAALQVVJWIR-NVGCLXPQSA-N 0 0 321.367 3.486 20 10 DGCDRN CN(c1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000850751274 632214656 /nfs/dbraw/zinc/21/46/56/632214656.db2.gz ZDSOWBJESZBUDZ-KRWDZBQOSA-N 0 0 310.401 3.011 20 10 DGCDRN Cc1ccc(C(=O)OCCCOc2ccc(F)cc2)c(O)c1O ZINC000109999932 632406636 /nfs/dbraw/zinc/40/66/36/632406636.db2.gz QMDDTJVFWDFHLA-UHFFFAOYSA-N 0 0 320.316 3.171 20 10 DGCDRN CC[C@H](C)[C@H](C)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852007331 632538455 /nfs/dbraw/zinc/53/84/55/632538455.db2.gz ADJNSGRLCKZIFG-SOUVJXGZSA-N 0 0 319.449 3.008 20 10 DGCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@@H]1CCC(=O)O1 ZINC000852187273 632568233 /nfs/dbraw/zinc/56/82/33/632568233.db2.gz NGCLYEWEEUAFAV-HOCLYGCPSA-N 0 0 303.402 3.036 20 10 DGCDRN COc1ccc(N(C)C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cc1 ZINC000852210050 632571768 /nfs/dbraw/zinc/57/17/68/632571768.db2.gz WUKXEWJQBODSJV-HNNXBMFYSA-N 0 0 318.461 3.416 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H](C)c1cscn1)c1ccc(N(C)C)cc1 ZINC000852261388 632578354 /nfs/dbraw/zinc/57/83/54/632578354.db2.gz RCFQHZKWAPMMLA-NEPJUHHUSA-N 0 0 318.446 3.331 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)c1cscn1 ZINC000852514655 632616420 /nfs/dbraw/zinc/61/64/20/632616420.db2.gz KEBYTPJYHUTDRA-GFCCVEGCSA-N 0 0 318.446 3.078 20 10 DGCDRN C[C@@H]([NH2+]CCN(C)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000185111402 660202079 /nfs/dbraw/zinc/20/20/79/660202079.db2.gz AJIVYVHCPXMZHG-CQSZACIVSA-N 0 0 302.393 3.314 20 10 DGCDRN Cc1ccc(C(=O)Nc2cc(C)c(O)c(C)c2C)c(O)c1O ZINC000185691047 660236910 /nfs/dbraw/zinc/23/69/10/660236910.db2.gz XNQGBTGFIJGBBH-UHFFFAOYSA-N 0 0 301.342 3.289 20 10 DGCDRN Cc1[nH]c2ccccc2c1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186376399 660378594 /nfs/dbraw/zinc/37/85/94/660378594.db2.gz SNEHZPFMERWQTH-NSHDSACASA-N 0 0 324.380 3.249 20 10 DGCDRN C[C@@H]([NH2+]CCc1nn(C)c2ccccc12)c1ccc(F)cc1[O-] ZINC000186487959 660447352 /nfs/dbraw/zinc/44/73/52/660447352.db2.gz QXORYQVRWIDFNL-GFCCVEGCSA-N 0 0 313.376 3.311 20 10 DGCDRN C/C(=C/C(=O)NCc1ccc(N2CCSCC2)cc1)C1CC1 ZINC000132510876 660499918 /nfs/dbraw/zinc/49/99/18/660499918.db2.gz XBMYPPFAYZWJBW-OWBHPGMISA-N 0 0 316.470 3.212 20 10 DGCDRN COc1cccc(CNC(=O)NC[C@H]2CCC[C@H](C)C2)c1O ZINC000073831899 660565222 /nfs/dbraw/zinc/56/52/22/660565222.db2.gz XYXPZPWCWYQTQR-STQMWFEESA-N 0 0 306.406 3.026 20 10 DGCDRN C[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)[C@H]1C ZINC000073915409 660574890 /nfs/dbraw/zinc/57/48/90/660574890.db2.gz WXEVLDLZPVIOLR-OLZOCXBDSA-N 0 0 307.413 3.222 20 10 DGCDRN CN(C)c1ccc(CNCc2ccncc2Br)cc1 ZINC000703788096 660791505 /nfs/dbraw/zinc/79/15/05/660791505.db2.gz QQQHAIISRUCGSG-UHFFFAOYSA-N 0 0 320.234 3.200 20 10 DGCDRN Oc1cccc(Br)c1CNCC(F)(F)C(F)F ZINC000706828605 660874086 /nfs/dbraw/zinc/87/40/86/660874086.db2.gz JGWMMOYKXLLXGI-UHFFFAOYSA-N 0 0 316.092 3.145 20 10 DGCDRN CC[C@H]1CN(Cc2c(O)cccc2Br)[C@H](C)CO1 ZINC000707143453 660888016 /nfs/dbraw/zinc/88/80/16/660888016.db2.gz SHQUEZHEJBJJKV-MNOVXSKESA-N 0 0 314.223 3.154 20 10 DGCDRN CC[C@](C)(O)C[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708098246 660918063 /nfs/dbraw/zinc/91/80/63/660918063.db2.gz FWZRNTKTHYSANU-LBPRGKRZSA-N 0 0 322.630 3.059 20 10 DGCDRN COCC[C@@H](C)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708099529 660918097 /nfs/dbraw/zinc/91/80/97/660918097.db2.gz QAVCSCPMSPPINJ-MRVPVSSYSA-N 0 0 322.630 3.323 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709993521 660931777 /nfs/dbraw/zinc/93/17/77/660931777.db2.gz ZPMZWPLUFSSHPE-OAHLLOKOSA-N 0 0 315.244 3.275 20 10 DGCDRN COc1ccc(CNC(=O)NCCC2=CCCCC2)c(O)c1 ZINC000792761791 660983201 /nfs/dbraw/zinc/98/32/01/660983201.db2.gz HJLJJKZKSIWGQY-UHFFFAOYSA-N 0 0 304.390 3.091 20 10 DGCDRN COc1ccc(CNC(=O)NC[C@@H]2CCCC[C@@H]2C)c(O)c1 ZINC000792918530 660993839 /nfs/dbraw/zinc/99/38/39/660993839.db2.gz UFKTYSXEGJMAJT-STQMWFEESA-N 0 0 306.406 3.026 20 10 DGCDRN COc1ccc(CNC(=O)NC2C[C@@H](C)C[C@H](C)C2)c(O)c1 ZINC000792954536 660996856 /nfs/dbraw/zinc/99/68/56/660996856.db2.gz LCGLZRFPYGJGJP-RYUDHWBXSA-N 0 0 306.406 3.025 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)c(O)c1 ZINC000793151284 661007636 /nfs/dbraw/zinc/00/76/36/661007636.db2.gz UKFLCEWPKKVXKA-SGMGOOAPSA-N 0 0 306.406 3.025 20 10 DGCDRN COc1cc(NCc2ccccc2O)c(OC)c(C)c1OC ZINC000793389936 661029184 /nfs/dbraw/zinc/02/91/84/661029184.db2.gz HCYHIMXYHPZXGL-UHFFFAOYSA-N 0 0 303.358 3.339 20 10 DGCDRN CC1(C)CC[C@@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000806018582 661037156 /nfs/dbraw/zinc/03/71/56/661037156.db2.gz HBGTZVWCVDKBSC-INIZCTEOSA-N 0 0 302.418 3.259 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCCCC[C@H]1CCO ZINC000793610321 661049766 /nfs/dbraw/zinc/04/97/66/661049766.db2.gz TVGXHBFIHXQUCD-NSHDSACASA-N 0 0 301.789 3.312 20 10 DGCDRN C[C@H](NC(=O)[C@H]1Cc2ccc(F)cc21)c1ccc(N(C)C)cc1 ZINC000793857230 661060859 /nfs/dbraw/zinc/06/08/59/661060859.db2.gz TXCBJVODGULNPB-SGTLLEGYSA-N 0 0 312.388 3.409 20 10 DGCDRN CSCCONC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000794180503 661070657 /nfs/dbraw/zinc/07/06/57/661070657.db2.gz KMOGBNLEDAESBH-UHFFFAOYSA-N 0 0 322.405 3.258 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cnc3c(F)cccc3c2)cc1 ZINC000794212841 661072858 /nfs/dbraw/zinc/07/28/58/661072858.db2.gz VIGQKSAQPTYWJM-UHFFFAOYSA-N 0 0 323.371 3.370 20 10 DGCDRN CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)c1ccc(C)c(O)c1O ZINC000794326123 661078729 /nfs/dbraw/zinc/07/87/29/661078729.db2.gz FYTUPRWDIYSACZ-DGCLKSJQSA-N 0 0 307.390 3.236 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(Cl)ccn2)c1 ZINC000794354379 661080407 /nfs/dbraw/zinc/08/04/07/661080407.db2.gz SRTAJOSNNIIKLB-SECBINFHSA-N 0 0 321.764 3.332 20 10 DGCDRN COc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)c(C)cc1C ZINC000794365427 661081017 /nfs/dbraw/zinc/08/10/17/661081017.db2.gz MIQRCIHCUJARLI-FNORWQNLSA-N 0 0 313.353 3.375 20 10 DGCDRN COc1ccc(CNC(=O)Cc2cccc(C)c2Cl)c(O)c1 ZINC000794376223 661081318 /nfs/dbraw/zinc/08/13/18/661081318.db2.gz DVWZCJTWIXGHFX-UHFFFAOYSA-N 0 0 319.788 3.222 20 10 DGCDRN COc1ccc(CNC(=O)Cc2c[nH]c3cc(C)ccc23)c(O)c1 ZINC000794380415 661081770 /nfs/dbraw/zinc/08/17/70/661081770.db2.gz BXVLFDCEELUHBV-UHFFFAOYSA-N 0 0 324.380 3.049 20 10 DGCDRN COc1ccc(CNC(=O)c2oc3ccccc3c2C)c(O)c1 ZINC000794386828 661082071 /nfs/dbraw/zinc/08/20/71/661082071.db2.gz BXFZTMLYJQOKRS-UHFFFAOYSA-N 0 0 311.337 3.385 20 10 DGCDRN COc1ccc(CNC(=O)c2csc(C(C)(C)C)n2)c(O)c1 ZINC000794383393 661082075 /nfs/dbraw/zinc/08/20/75/661082075.db2.gz LYXYPTOIMLKJJV-UHFFFAOYSA-N 0 0 320.414 3.085 20 10 DGCDRN COc1ccc(CNC(=O)c2ccc(C)c(Cl)c2)c(O)c1 ZINC000794389690 661082473 /nfs/dbraw/zinc/08/24/73/661082473.db2.gz CIAAYUPFQMDQSX-UHFFFAOYSA-N 0 0 305.761 3.293 20 10 DGCDRN COc1ccc(CNC(=O)[C@@H](C)c2cccc(Cl)c2)c(O)c1 ZINC000794387710 661082597 /nfs/dbraw/zinc/08/25/97/661082597.db2.gz KDLFJZXHWHPDIR-NSHDSACASA-N 0 0 319.788 3.474 20 10 DGCDRN COc1ccc(CNC(=O)c2cc3cccc(F)c3o2)c(O)c1 ZINC000794390580 661082638 /nfs/dbraw/zinc/08/26/38/661082638.db2.gz MCFWBWSMWZNRCK-UHFFFAOYSA-N 0 0 315.300 3.216 20 10 DGCDRN COc1ccc(N(C)CCN2CCc3ccccc32)cc1OC ZINC000794290730 661077172 /nfs/dbraw/zinc/07/71/72/661077172.db2.gz OVXKNMOFUNRTQW-UHFFFAOYSA-N 0 0 312.413 3.203 20 10 DGCDRN COc1ccc(CNC(=S)N[C@H](C)c2ccccc2)c(O)c1 ZINC000795032252 661122873 /nfs/dbraw/zinc/12/28/73/661122873.db2.gz RZZGHUOPBRBBKL-GFCCVEGCSA-N 0 0 316.426 3.126 20 10 DGCDRN O=C(NCCCSc1nccs1)[C@H]1CCC(F)(F)C1 ZINC000795093927 661126282 /nfs/dbraw/zinc/12/62/82/661126282.db2.gz AZPYQUFSRFKOSV-VIFPVBQESA-N 0 0 306.403 3.177 20 10 DGCDRN COc1ccc(CNc2ccc(Br)c(C)n2)c(O)c1 ZINC000795284030 661138419 /nfs/dbraw/zinc/13/84/19/661138419.db2.gz GPJRNZIPPMWVIR-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN O=S(=O)(Nc1ccc(O)cc1)c1ccc(Cl)c(Cl)c1 ZINC000036961340 655557303 /nfs/dbraw/zinc/55/73/03/655557303.db2.gz UCRNTJSABCKOGM-UHFFFAOYSA-N 0 0 318.181 3.500 20 10 DGCDRN Cc1cc(C)c(O)c(CN2C[C@@H](C(F)(F)F)OC[C@H]2C)c1 ZINC000795689838 661167902 /nfs/dbraw/zinc/16/79/02/661167902.db2.gz GOTXJUATXSPTBY-YPMHNXCESA-N 0 0 303.324 3.161 20 10 DGCDRN CCn1cc(N2C(=O)/C(=C\c3cccs3)SC2=S)cn1 ZINC000255306166 655695930 /nfs/dbraw/zinc/69/59/30/655695930.db2.gz JVZVGIPTOUCSAU-IZZDOVSWSA-N 0 0 321.452 3.370 20 10 DGCDRN C[C@](NC(=O)NCc1c(O)cccc1F)(C1CC1)C(F)(F)F ZINC000933558270 655720120 /nfs/dbraw/zinc/72/01/20/655720120.db2.gz FWKJYWQZZYVTBZ-ZDUSSCGKSA-N 0 0 320.286 3.062 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NC2[C@@H](C)CCC[C@@H]2C)c1 ZINC000176078511 655732278 /nfs/dbraw/zinc/73/22/78/655732278.db2.gz GRVKHYUCQPRCJL-RYUDHWBXSA-N 0 0 306.406 3.025 20 10 DGCDRN C[C@H](NC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C(N)=O ZINC000255426442 655747106 /nfs/dbraw/zinc/74/71/06/655747106.db2.gz LFJMWNJDLXDDSU-NSHDSACASA-N 0 0 311.345 3.097 20 10 DGCDRN COc1ccc(N(C)Cc2nc(CCC(C)C)no2)cc1OC ZINC000064517146 655859566 /nfs/dbraw/zinc/85/95/66/655859566.db2.gz WBQKMQTYQSOVHO-UHFFFAOYSA-N 0 0 319.405 3.312 20 10 DGCDRN Cc1ccc(C(=O)NCCCc2c[nH]c3ccccc23)c(O)c1O ZINC000179486921 655893999 /nfs/dbraw/zinc/89/39/99/655893999.db2.gz YVUAIOJFUBVCTD-UHFFFAOYSA-N 0 0 324.380 3.250 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cnn(C)c1C ZINC000177256691 655918558 /nfs/dbraw/zinc/91/85/58/655918558.db2.gz VDDYBYQEGPGLNE-UHFFFAOYSA-N 0 0 314.414 3.450 20 10 DGCDRN Cc1cc(C(=O)N(C)C[C@H](C)O)c(C)n1-c1cccc(Cl)c1 ZINC000177431584 655924962 /nfs/dbraw/zinc/92/49/62/655924962.db2.gz KKZXNJWPELHZOU-LBPRGKRZSA-N 0 0 320.820 3.200 20 10 DGCDRN CN1C(=O)/C(=C/c2ccc(OC(F)F)c(F)c2)SC1=S ZINC000162508066 655966596 /nfs/dbraw/zinc/96/65/96/655966596.db2.gz XPYBXPLGIRIEBI-UITAMQMPSA-N 0 0 319.329 3.258 20 10 DGCDRN CN(C)c1ccc(CNc2cccc(-c3nc[nH]n3)c2)cc1F ZINC000168747702 656009177 /nfs/dbraw/zinc/00/91/77/656009177.db2.gz CWHYSJULIRBDOT-UHFFFAOYSA-N 0 0 311.364 3.289 20 10 DGCDRN O=C(Cc1cccc2ccccc21)NCCc1ccc(O)c(O)c1 ZINC000098074430 656012433 /nfs/dbraw/zinc/01/24/33/656012433.db2.gz NOTVWPQBLHGAMI-UHFFFAOYSA-N 0 0 321.376 3.152 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[NH2+][C@@H]1CCCSC1 ZINC000715786954 661214586 /nfs/dbraw/zinc/21/45/86/661214586.db2.gz BYHZFTWEOLPSPU-SNVBAGLBSA-N 0 0 320.227 3.279 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N(Cc1cccs1)C1CC1 ZINC000180631158 656094172 /nfs/dbraw/zinc/09/41/72/656094172.db2.gz UXHHKKUICUKWEM-XBXARRHUSA-N 0 0 315.394 3.364 20 10 DGCDRN CCOc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1F ZINC000180959418 656095799 /nfs/dbraw/zinc/09/57/99/656095799.db2.gz QFHILUSMLRSUQA-XBXARRHUSA-N 0 0 317.316 3.288 20 10 DGCDRN Cc1ccc(CN(C)C(=O)/C=C/c2ccc(O)c(O)c2)s1 ZINC000181032505 656097178 /nfs/dbraw/zinc/09/71/78/656097178.db2.gz SPYOBVHHVWAQCY-VMPITWQZSA-N 0 0 303.383 3.140 20 10 DGCDRN CCCc1cnc(NC(=O)N2Cc3cccc(O)c3C2)s1 ZINC000930729479 656130860 /nfs/dbraw/zinc/13/08/60/656130860.db2.gz ISOWEZNSDMMCBC-UHFFFAOYSA-N 0 0 303.387 3.349 20 10 DGCDRN Cc1nc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)co1 ZINC000186801066 656133476 /nfs/dbraw/zinc/13/34/76/656133476.db2.gz TYKMVBKSUINEQO-UHFFFAOYSA-N 0 0 313.401 3.246 20 10 DGCDRN CC[C@@H]1[C@@H](C)CCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000188553764 656147203 /nfs/dbraw/zinc/14/72/03/656147203.db2.gz RITAOGBMYIREOS-SWLSCSKDSA-N 0 0 307.413 3.222 20 10 DGCDRN CCOc1cc(CN(C)c2ccc3c(c2)OCO3)ccc1OC ZINC000514252119 661229450 /nfs/dbraw/zinc/22/94/50/661229450.db2.gz LEKZOHOBSYLAGI-UHFFFAOYSA-N 0 0 315.369 3.459 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C)c(N)c1 ZINC000319321786 656173047 /nfs/dbraw/zinc/17/30/47/656173047.db2.gz ZSYVZDXSAKPVHV-UHFFFAOYSA-N 0 0 311.429 3.306 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2coc(C3CCC3)n2)cc1F ZINC000194180373 656198460 /nfs/dbraw/zinc/19/84/60/656198460.db2.gz NBWOEMVFFVRTKH-UHFFFAOYSA-N 0 0 317.364 3.077 20 10 DGCDRN Cn1c2cccc(F)c2nc1-c1ccc(N2CCOCC2)cc1 ZINC000123943360 656200488 /nfs/dbraw/zinc/20/04/88/656200488.db2.gz PPEIDUUEAGIXQJ-UHFFFAOYSA-N 0 0 311.360 3.216 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NCC2(SC)CC2)cc1 ZINC000194911307 656206314 /nfs/dbraw/zinc/20/63/14/656206314.db2.gz KUIXNZMQPIWONX-UHFFFAOYSA-N 0 0 321.490 3.228 20 10 DGCDRN COC(=O)C(C)(C)c1csc(-c2ccc(N(C)C)cc2)n1 ZINC000314233858 656424172 /nfs/dbraw/zinc/42/41/72/656424172.db2.gz TYYUUWOQQGGRDA-UHFFFAOYSA-N 0 0 304.415 3.327 20 10 DGCDRN CCOc1ccccc1NC[C@@H](O)COc1ccccc1F ZINC000314442694 656463419 /nfs/dbraw/zinc/46/34/19/656463419.db2.gz BZSFNMWBJBZORT-CYBMUJFWSA-N 0 0 305.349 3.076 20 10 DGCDRN COc1cccc(CNC(=O)N[C@@H](C)CCC(C)(C)C)c1O ZINC000074326620 661278398 /nfs/dbraw/zinc/27/83/98/661278398.db2.gz ZOYSAJGYTKQHLC-LBPRGKRZSA-N 0 0 308.422 3.415 20 10 DGCDRN COc1ccc(N(C)Cc2cc(OC)c(O)c(OC)c2)cc1 ZINC000317368122 656612832 /nfs/dbraw/zinc/61/28/32/656612832.db2.gz JPJGAGKTNYPKTQ-UHFFFAOYSA-N 0 0 303.358 3.054 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000320301018 657491899 /nfs/dbraw/zinc/49/18/99/657491899.db2.gz SPWJNUPAJQZKSI-SFHVURJKSA-N 0 0 312.413 3.448 20 10 DGCDRN C[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])[C@H]1C[NH3+] ZINC000252101689 657556017 /nfs/dbraw/zinc/55/60/17/657556017.db2.gz GJHIXPPGJTXDGU-ZANVPECISA-N 0 0 303.233 3.258 20 10 DGCDRN Cc1cc(C(=O)NCCCO)c(C)n1-c1ccc(C(C)C)cc1 ZINC000097176142 657609120 /nfs/dbraw/zinc/60/91/20/657609120.db2.gz PMNQMQRRQQEZFV-UHFFFAOYSA-N 0 0 314.429 3.330 20 10 DGCDRN Cc1cc(C(=O)NC[C@H](C)O)c(C)n1-c1cccc(C(C)C)c1 ZINC000097478044 657641273 /nfs/dbraw/zinc/64/12/73/657641273.db2.gz YSBLWVIFBILWMZ-AWEZNQCLSA-N 0 0 314.429 3.328 20 10 DGCDRN C[C@@H]1CCC[C@@H](NC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000303034203 657659538 /nfs/dbraw/zinc/65/95/38/657659538.db2.gz YBRAJDXEDPCICB-RHSMWYFYSA-N 0 0 315.461 3.447 20 10 DGCDRN CCn1cc(C(=O)NCCc2ccc(O)c(O)c2)c2ccccc21 ZINC000179090856 657694164 /nfs/dbraw/zinc/69/41/64/657694164.db2.gz VGTGVAOWCWVLTM-UHFFFAOYSA-N 0 0 324.380 3.045 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCOc3ccccc3C2)c1O ZINC000321307006 658146905 /nfs/dbraw/zinc/14/69/05/658146905.db2.gz CJBBYUNUPDWMNB-UHFFFAOYSA-N 0 0 315.344 3.129 20 10 DGCDRN C[C@@H]1CCN(C(=O)NCCCSc2nccs2)C[C@@H]1C ZINC000163409713 658317955 /nfs/dbraw/zinc/31/79/55/658317955.db2.gz DQSUJOTXLUUEPD-NEPJUHHUSA-N 0 0 313.492 3.313 20 10 DGCDRN C[C@@H]1CCN(C(=O)NCCCSc2nccs2)C[C@H]1C ZINC000163409941 658318243 /nfs/dbraw/zinc/31/82/43/658318243.db2.gz DQSUJOTXLUUEPD-VXGBXAGGSA-N 0 0 313.492 3.313 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cncc2nc[nH]c21 ZINC000897683961 658482743 /nfs/dbraw/zinc/48/27/43/658482743.db2.gz WHTPEBNFWYBAOL-UHFFFAOYSA-N 0 0 324.384 3.106 20 10 DGCDRN CCOc1cccc([C@H]2Nc3ccccc3C(=O)N2CC)c1O ZINC000030542561 658712881 /nfs/dbraw/zinc/71/28/81/658712881.db2.gz PYVPJIAFVIXFMO-KRWDZBQOSA-N 0 0 312.369 3.377 20 10 DGCDRN O=C(NC1CCCC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000042115146 658742385 /nfs/dbraw/zinc/74/23/85/658742385.db2.gz JHRSSSVBKRWOEN-MRXNPFEDSA-N 0 0 318.417 3.025 20 10 DGCDRN [O-]c1c(Br)cccc1C[NH2+]CCCOCC1CC1 ZINC000042411831 658772472 /nfs/dbraw/zinc/77/24/72/658772472.db2.gz ICPZVHABPCOMGX-UHFFFAOYSA-N 0 0 314.223 3.061 20 10 DGCDRN Cc1ncc(C[NH2+]Cc2cccc(Br)c2[O-])s1 ZINC000042412607 658773742 /nfs/dbraw/zinc/77/37/42/658773742.db2.gz NBGQNTXCMYRYIE-UHFFFAOYSA-N 0 0 313.220 3.209 20 10 DGCDRN Cc1csc(NC(=O)NCc2ccc(N3CCCC3)cc2)n1 ZINC000043240389 658818818 /nfs/dbraw/zinc/81/88/18/658818818.db2.gz UDVLEERSNMZILZ-UHFFFAOYSA-N 0 0 316.430 3.373 20 10 DGCDRN O=C(/C=C/c1ccc(Cl)cc1)NCCc1ccc(O)c(O)c1 ZINC000156588750 658927407 /nfs/dbraw/zinc/92/74/07/658927407.db2.gz CTIJJPLBUABFMW-XBXARRHUSA-N 0 0 317.772 3.123 20 10 DGCDRN CC(C)c1ccsc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000156664799 658933060 /nfs/dbraw/zinc/93/30/60/658933060.db2.gz GCOIVALWVDPHCQ-UHFFFAOYSA-N 0 0 305.399 3.255 20 10 DGCDRN COc1cc(CN2CCO[C@@H](C)[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000164515477 658936950 /nfs/dbraw/zinc/93/69/50/658936950.db2.gz GJXFCEFTUKWARW-OLZOCXBDSA-N 0 0 307.434 3.308 20 10 DGCDRN C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000058556215 659087847 /nfs/dbraw/zinc/08/78/47/659087847.db2.gz DIZZAMNLWYXZPI-CYBMUJFWSA-N 0 0 315.392 3.452 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2c(F)cccc2F)cc1F ZINC000058604668 659090821 /nfs/dbraw/zinc/09/08/21/659090821.db2.gz JLPZFYIJVLXVNO-UHFFFAOYSA-N 0 0 323.318 3.492 20 10 DGCDRN O=C1CSc2ccc(NCc3cc(F)ccc3O)cc2N1 ZINC000226581825 659127052 /nfs/dbraw/zinc/12/70/52/659127052.db2.gz ZTSZIYYWXWPICZ-UHFFFAOYSA-N 0 0 304.346 3.188 20 10 DGCDRN CN(CC1CCC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000171836460 659300807 /nfs/dbraw/zinc/30/08/07/659300807.db2.gz WJICBJMZHAIYFX-UHFFFAOYSA-N 0 0 301.434 3.228 20 10 DGCDRN COc1cccc(CNC(=O)c2ccc(-c3ccccc3)[nH]2)c1O ZINC000171869399 659305209 /nfs/dbraw/zinc/30/52/09/659305209.db2.gz DSARPZNNWJNBCG-UHFFFAOYSA-N 0 0 322.364 3.326 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NC[C@H]2CCCC[C@@H]2C)c1 ZINC000172072406 659315392 /nfs/dbraw/zinc/31/53/92/659315392.db2.gz PNSWSNWLGFNOTN-QWHCGFSZSA-N 0 0 306.406 3.026 20 10 DGCDRN CCCc1ncc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)s1 ZINC000173131042 659375005 /nfs/dbraw/zinc/37/50/05/659375005.db2.gz TVMRKLAXZMPQFF-JTQLQIEISA-N 0 0 320.414 3.301 20 10 DGCDRN C[C@H]1CC[C@@H](CCC(=O)NCCCSc2nccs2)O1 ZINC000173561533 659393350 /nfs/dbraw/zinc/39/33/50/659393350.db2.gz JGCKMVVMSXJLHM-RYUDHWBXSA-N 0 0 314.476 3.089 20 10 DGCDRN Cc1cc(C(=O)Nc2c(C)n[nH]c2C)c(C)n1-c1ccccn1 ZINC000063838129 659414562 /nfs/dbraw/zinc/41/45/62/659414562.db2.gz UWSOKILPPHNUCX-UHFFFAOYSA-N 0 0 309.373 3.081 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1=CCCCO1 ZINC000174472745 659436034 /nfs/dbraw/zinc/43/60/34/659436034.db2.gz OJZOGSFVBVRJHN-UHFFFAOYSA-N 0 0 314.429 3.330 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C)cc2F)c1 ZINC000175263471 659918131 /nfs/dbraw/zinc/91/81/31/659918131.db2.gz DKOGPPBMYWHXGI-LLVKDONJSA-N 0 0 303.333 3.339 20 10 DGCDRN CC(=O)c1cc(F)cc(CN(C[C@@H](C)O)c2ccccc2)c1O ZINC000175626549 659926743 /nfs/dbraw/zinc/92/67/43/659926743.db2.gz KCIZKKSQLNYPQS-GFCCVEGCSA-N 0 0 317.360 3.121 20 10 DGCDRN C[C@@H](NC(=O)Cc1ccc(N)cc1)c1cccc(OC(F)F)c1 ZINC000237639822 659933627 /nfs/dbraw/zinc/93/36/27/659933627.db2.gz PNYHLTXSXIVQDM-LLVKDONJSA-N 0 0 320.339 3.290 20 10 DGCDRN C[C@H](NC(=O)Cc1ccc(N)cc1)c1cccc(OC(F)F)c1 ZINC000237659374 659935299 /nfs/dbraw/zinc/93/52/99/659935299.db2.gz PNYHLTXSXIVQDM-NSHDSACASA-N 0 0 320.339 3.290 20 10 DGCDRN COc1cccc(CNC(=O)Nc2cccc(C)c2F)c1O ZINC000179962239 659947590 /nfs/dbraw/zinc/94/75/90/659947590.db2.gz WNPBYRSLJOAMDW-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN Nc1ccc(CCNC(=O)c2ccc(OCC3CC3)cc2)cc1 ZINC000237957861 659950644 /nfs/dbraw/zinc/95/06/44/659950644.db2.gz KBWKHBJASJKBRG-UHFFFAOYSA-N 0 0 310.397 3.030 20 10 DGCDRN COc1cccc(CNC(=O)c2oc3ccccc3c2C)c1O ZINC000068488879 659954673 /nfs/dbraw/zinc/95/46/73/659954673.db2.gz ZGKGSSMXSCACIE-UHFFFAOYSA-N 0 0 311.337 3.385 20 10 DGCDRN C[C@@H]1CN(Cc2cc(F)ccc2O)[C@H](c2ccccc2)CO1 ZINC000180198920 659955305 /nfs/dbraw/zinc/95/53/05/659955305.db2.gz XSUDRRDKMNUFOU-DYVFJYSZSA-N 0 0 301.361 3.493 20 10 DGCDRN CC[C@@H](C)N(C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000068549183 659957251 /nfs/dbraw/zinc/95/72/51/659957251.db2.gz QHDNKFXIMRQOEX-CABCVRRESA-N 0 0 319.449 3.024 20 10 DGCDRN CCc1nn(C)c(CC)c1CN(C)c1ccc(OC)c(F)c1 ZINC000180774743 659970581 /nfs/dbraw/zinc/97/05/81/659970581.db2.gz BXEZBCJRVISMJN-UHFFFAOYSA-N 0 0 305.397 3.329 20 10 DGCDRN CC(C)c1cnc(NC(=O)/C=C/c2ccc(O)c(O)c2)s1 ZINC000180819061 659971896 /nfs/dbraw/zinc/97/18/96/659971896.db2.gz SNTAHGCJBFTINK-GQCTYLIASA-N 0 0 304.371 3.330 20 10 DGCDRN Cc1ccccc1C[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180949855 659975386 /nfs/dbraw/zinc/97/53/86/659975386.db2.gz HIGRXCFKUSIQEN-QSYFUGGGSA-N 0 0 311.381 3.167 20 10 DGCDRN Cc1ccccc1C[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180949871 659975437 /nfs/dbraw/zinc/97/54/37/659975437.db2.gz HIGRXCFKUSIQEN-PLWJUESGSA-N 0 0 311.381 3.167 20 10 DGCDRN CC(C)(C)C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000181092376 659978616 /nfs/dbraw/zinc/97/86/16/659978616.db2.gz SAFUQQXELYKLIU-FNORWQNLSA-N 0 0 303.402 3.396 20 10 DGCDRN CC(C)COC(=O)CN(Cc1ccco1)Cc1ccccc1O ZINC000181484729 660002850 /nfs/dbraw/zinc/00/28/50/660002850.db2.gz NXOURRFCSDZGRG-UHFFFAOYSA-N 0 0 317.385 3.187 20 10 DGCDRN C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1ccccn1 ZINC000069718399 660017199 /nfs/dbraw/zinc/01/71/99/660017199.db2.gz UUKMYOXHYDOVGX-AWEZNQCLSA-N 0 0 324.428 3.024 20 10 DGCDRN Cc1ccc2[nH]c(C(=O)NCc3ccc(O)c(O)c3)cc2c1C ZINC000182531794 660060043 /nfs/dbraw/zinc/06/00/43/660060043.db2.gz PMXVEYGPUHFEQS-UHFFFAOYSA-N 0 0 310.353 3.126 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H](C)c2cccc(F)c2F)c(O)c1O ZINC000182965367 660096083 /nfs/dbraw/zinc/09/60/83/660096083.db2.gz WXMXEBJOKBMKAP-VIFPVBQESA-N 0 0 307.296 3.175 20 10 DGCDRN CNC(=O)c1ccc(Cl)c(NCc2cc(C)ccc2O)c1 ZINC000071407652 660122625 /nfs/dbraw/zinc/12/26/25/660122625.db2.gz SUXDZSMKYMSZKG-UHFFFAOYSA-N 0 0 304.777 3.326 20 10 DGCDRN Cc1ccnc(NC(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000184042392 660153654 /nfs/dbraw/zinc/15/36/54/660153654.db2.gz DBRDACREJGTKKY-UHFFFAOYSA-N 0 0 311.385 3.296 20 10 DGCDRN CCOc1ccc(N(CC)Cc2nc(COC(C)C)no2)cc1 ZINC000929914246 661350223 /nfs/dbraw/zinc/35/02/23/661350223.db2.gz XXGPHNXJEIQKCD-UHFFFAOYSA-N 0 0 319.405 3.420 20 10 DGCDRN CN(C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(-c2nccs2)cc1 ZINC000930709817 661423336 /nfs/dbraw/zinc/42/33/36/661423336.db2.gz IJDPOEDNKYMSGC-KBMXLJTQSA-N 0 0 316.426 3.050 20 10 DGCDRN CC(C)(C)[C@@H](NC(=O)N1Cc2cccc(O)c2C1)C(F)(F)F ZINC000930904361 661438151 /nfs/dbraw/zinc/43/81/51/661438151.db2.gz UEJPJPWJILHGCJ-GFCCVEGCSA-N 0 0 316.323 3.394 20 10 DGCDRN CC(C)(C)[C@@H](NC(=O)NCc1c(O)cccc1F)C(F)(F)F ZINC000930905302 661438506 /nfs/dbraw/zinc/43/85/06/661438506.db2.gz RBGNTEKPYDEGDS-LLVKDONJSA-N 0 0 322.302 3.308 20 10 DGCDRN COc1ccc2c(c1NC(=O)N1Cc3cccc(O)c3C1)CCC2 ZINC000931067955 661449088 /nfs/dbraw/zinc/44/90/88/661449088.db2.gz SXEQXTPDJMUJCS-UHFFFAOYSA-N 0 0 324.380 3.437 20 10 DGCDRN CC[C@@H](C)n1ncc(NC(=O)NCc2c(O)cccc2F)c1C ZINC000931070086 661449353 /nfs/dbraw/zinc/44/93/53/661449353.db2.gz ODDUMXSXXPPOQP-SNVBAGLBSA-N 0 0 320.368 3.329 20 10 DGCDRN Cc1cc(NC(=O)NCc2cccc(Cl)c2O)nn1C(C)C ZINC000931782380 661508053 /nfs/dbraw/zinc/50/80/53/661508053.db2.gz TTWGDJLWTHDRCM-UHFFFAOYSA-N 0 0 322.796 3.453 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)N1CCCCC1 ZINC000931785184 661508134 /nfs/dbraw/zinc/50/81/34/661508134.db2.gz PPDNPGOEPWQZIS-UHFFFAOYSA-N 0 0 321.384 3.414 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)c1cccc(O)c1 ZINC000932943784 661611311 /nfs/dbraw/zinc/61/13/11/661611311.db2.gz OOFRFWHNHRKSFM-AWEZNQCLSA-N 0 0 312.413 3.187 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[NH2+]C2([C@@H]3CCCCO3)CC2)c1[O-] ZINC000933380009 661631424 /nfs/dbraw/zinc/63/14/24/661631424.db2.gz XUXMFJQVLOHPKB-HNNXBMFYSA-N 0 0 323.820 3.440 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)cc(Cl)n2)c1 ZINC000934940329 661750174 /nfs/dbraw/zinc/75/01/74/661750174.db2.gz LMXLKZARLBLIEP-SNVBAGLBSA-N 0 0 320.776 3.249 20 10 DGCDRN CC1(CCC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000935033657 661755607 /nfs/dbraw/zinc/75/56/07/661755607.db2.gz GBZSROSWPQUUBS-INIZCTEOSA-N 0 0 317.429 3.480 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)c2ncon2)c(C)n1-c1cccc(C)c1 ZINC000155462017 661847327 /nfs/dbraw/zinc/84/73/27/661847327.db2.gz QAVZSGZIZHOKKK-CYBMUJFWSA-N 0 0 324.384 3.277 20 10 DGCDRN C[C@@H](NC(=O)N(C)Cc1ccccc1O)c1nc2ccccc2[nH]1 ZINC000043832394 661850273 /nfs/dbraw/zinc/85/02/73/661850273.db2.gz CZLCRWKDCHJSEU-GFCCVEGCSA-N 0 0 324.384 3.171 20 10 DGCDRN Oc1c(Cl)cccc1CNc1ccc(-n2nccn2)cc1 ZINC000158061334 661870097 /nfs/dbraw/zinc/87/00/97/661870097.db2.gz PUUBIHQGYUPYBG-UHFFFAOYSA-N 0 0 300.749 3.238 20 10 DGCDRN C[C@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000046983834 661871044 /nfs/dbraw/zinc/87/10/44/661871044.db2.gz NWIUSZCRESKOOV-HNNXBMFYSA-N 0 0 301.434 3.228 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1cc(Cl)ccc1Cl ZINC000158965234 661881033 /nfs/dbraw/zinc/88/10/33/661881033.db2.gz OLXHECCBNGEYAI-UHFFFAOYSA-N 0 0 312.152 3.335 20 10 DGCDRN C[C@H](CC(=O)NCc1ccc(O)c(O)c1)c1ccccc1F ZINC000158994374 661881051 /nfs/dbraw/zinc/88/10/51/661881051.db2.gz XCOMCXKANVEXIE-LLVKDONJSA-N 0 0 303.333 3.047 20 10 DGCDRN COCCN(Cc1cc2c(cc1O)CCCC2)CC(F)(F)F ZINC000159992752 661899235 /nfs/dbraw/zinc/89/92/35/661899235.db2.gz UIPVNDQLYNRZLL-UHFFFAOYSA-N 0 0 317.351 3.282 20 10 DGCDRN Cc1cc(F)c(C(=O)NCc2ccc(N(C)C)cc2)cc1F ZINC000160122468 661901388 /nfs/dbraw/zinc/90/13/88/661901388.db2.gz QAVUAPGJTUFKPS-UHFFFAOYSA-N 0 0 304.340 3.269 20 10 DGCDRN Cc1cc(C(=O)Nc2cnns2)c(C)n1-c1ccc(C#N)cc1 ZINC000188201243 661921055 /nfs/dbraw/zinc/92/10/55/661921055.db2.gz PTXWMCVZFPOORB-UHFFFAOYSA-N 0 0 323.381 3.070 20 10 DGCDRN CCOC[C@H]([NH2+]Cc1cccc(Br)c1[O-])C(C)C ZINC000188869078 661950277 /nfs/dbraw/zinc/95/02/77/661950277.db2.gz VUKISLAXCIGOHA-ZDUSSCGKSA-N 0 0 316.239 3.305 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C=C/c2scnc2C)c1 ZINC000189006413 661958533 /nfs/dbraw/zinc/95/85/33/661958533.db2.gz JAZALMAKLDZMRS-VQCYPWCPSA-N 0 0 318.398 3.056 20 10 DGCDRN CCC1=C(C(=O)N[C@@H](C)c2cc(OC)ccc2O)CCCO1 ZINC000189553389 661981472 /nfs/dbraw/zinc/98/14/72/661981472.db2.gz YANWIIFYYLUKEK-NSHDSACASA-N 0 0 305.374 3.053 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)c2ccccn2)c(C)n1-c1ccccn1 ZINC000077658075 662035568 /nfs/dbraw/zinc/03/55/68/662035568.db2.gz MVTGMSISEYJDHV-AWEZNQCLSA-N 0 0 320.396 3.375 20 10 DGCDRN CN1C(=O)/C(=C\c2cc(Br)cs2)SC1=S ZINC000078269145 662057713 /nfs/dbraw/zinc/05/77/13/662057713.db2.gz GMYCFKFAFPEQDD-XVNBXDOJSA-N 0 0 320.258 3.342 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccc(-n3cccn3)cc2C)c(O)c1O ZINC000191461204 662067909 /nfs/dbraw/zinc/06/79/09/662067909.db2.gz VDFOIVSNIOMTEU-UHFFFAOYSA-N 0 0 323.352 3.153 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccc(F)c2)c1 ZINC000078493390 662071115 /nfs/dbraw/zinc/07/11/15/662071115.db2.gz LKJKDYHSMUOKQY-SNVBAGLBSA-N 0 0 304.321 3.423 20 10 DGCDRN CC(C)Cn1ncnc1CN(C)c1ccc(OC(C)C)cc1 ZINC000191582187 662073067 /nfs/dbraw/zinc/07/30/67/662073067.db2.gz CHSMLFXEEWCCDB-UHFFFAOYSA-N 0 0 302.422 3.358 20 10 DGCDRN COc1cccc(CNC(=O)Nc2c(C)cccc2C)c1O ZINC000078521960 662073246 /nfs/dbraw/zinc/07/32/46/662073246.db2.gz MEORLZHCUWKZDA-UHFFFAOYSA-N 0 0 300.358 3.339 20 10 DGCDRN CNC(=O)c1cc(C)n(-c2ccccc2Br)c1C ZINC000079481537 662111423 /nfs/dbraw/zinc/11/14/23/662111423.db2.gz QIGLFROYIVAIRN-UHFFFAOYSA-N 0 0 307.191 3.216 20 10 DGCDRN C=Cn1cc(CN(Cc2ccco2)Cc2ccccc2O)cn1 ZINC000193576900 662140258 /nfs/dbraw/zinc/14/02/58/662140258.db2.gz DLVVHFQEMQHAOZ-UHFFFAOYSA-N 0 0 309.369 3.485 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2Cc3ccccc3O2)cc1 ZINC000193747111 662147133 /nfs/dbraw/zinc/14/71/33/662147133.db2.gz ZJBSIZZGWPCURU-LJQANCHMSA-N 0 0 324.424 3.153 20 10 DGCDRN COc1cccc(CNC(=O)NCC(C(C)C)C(C)C)c1O ZINC000194355246 662164205 /nfs/dbraw/zinc/16/42/05/662164205.db2.gz UNDNJEVQENTBMN-UHFFFAOYSA-N 0 0 308.422 3.128 20 10 DGCDRN COc1cccc([C@@H](C)C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000194389740 662164609 /nfs/dbraw/zinc/16/46/09/662164609.db2.gz ODANDTPOPHGWPK-CQSZACIVSA-N 0 0 312.413 3.181 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2nccc(C)n2)cc1 ZINC000194402305 662164893 /nfs/dbraw/zinc/16/48/93/662164893.db2.gz DLUMTWSNDRNHCE-UHFFFAOYSA-N 0 0 306.369 3.445 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NCc2ccoc2)cc1 ZINC000194517580 662167247 /nfs/dbraw/zinc/16/72/47/662167247.db2.gz GTCWRNLEZZUAFV-UHFFFAOYSA-N 0 0 301.390 3.125 20 10 DGCDRN CC[C@@H](C(=O)OC)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000194565147 662168822 /nfs/dbraw/zinc/16/88/22/662168822.db2.gz DMXOVZRWOTUMLY-KRWDZBQOSA-N 0 0 304.434 3.060 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CCc2cscn2)cc1 ZINC000195301244 662183680 /nfs/dbraw/zinc/18/36/80/662183680.db2.gz LPTZOPOPDPPABK-UHFFFAOYSA-N 0 0 317.458 3.238 20 10 DGCDRN Cc1c(NCc2cc3c(cc2O)OCO3)cnn1C1CCCC1 ZINC000195455440 662189906 /nfs/dbraw/zinc/18/99/06/662189906.db2.gz ZAULWKUYABZDHS-UHFFFAOYSA-N 0 0 315.373 3.353 20 10 DGCDRN CN(C)c1ccc(CNC(=O)/C=C/SCc2ccco2)cc1 ZINC000084921071 662205294 /nfs/dbraw/zinc/20/52/94/662205294.db2.gz CNVBKHIYKXCPBF-PKNBQFBNSA-N 0 0 316.426 3.409 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)Cc2cccc(F)c2F)c1 ZINC000088360171 662230950 /nfs/dbraw/zinc/23/09/50/662230950.db2.gz AMFBECZIWYFNMW-JTQLQIEISA-N 0 0 321.323 3.099 20 10 DGCDRN C[N@@H+](Cc1cccc(Br)c1[O-])Cc1ccccc1O ZINC000091974442 662325928 /nfs/dbraw/zinc/32/59/28/662325928.db2.gz INXGQPGUPKFALY-UHFFFAOYSA-N 0 0 322.202 3.492 20 10 DGCDRN O=C(c1cccs1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000247903717 662329492 /nfs/dbraw/zinc/32/94/92/662329492.db2.gz LIQZDPHJVNBJLQ-CQSZACIVSA-N 0 0 317.410 3.275 20 10 DGCDRN Oc1ccc(Br)cc1CN(CC(F)F)C1CC1 ZINC000093276232 662350150 /nfs/dbraw/zinc/35/01/50/662350150.db2.gz RMFQUONESPXFRE-UHFFFAOYSA-N 0 0 306.150 3.384 20 10 DGCDRN COc1ccc(N(C)Cc2cc(C#N)ccc2F)cc1OC ZINC000140317884 685077318 /nfs/dbraw/zinc/07/73/18/685077318.db2.gz UNJWQHOZYDDWSE-UHFFFAOYSA-N 0 0 300.333 3.351 20 10 DGCDRN C=CCCOCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000143609746 685083064 /nfs/dbraw/zinc/08/30/64/685083064.db2.gz VGRLHTRUHQXNFF-UHFFFAOYSA-N 0 0 316.445 3.228 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ccc(C(F)(F)F)cn1 ZINC000383717428 685168471 /nfs/dbraw/zinc/16/84/71/685168471.db2.gz JLQXCLCMOUMGED-UHFFFAOYSA-N 0 0 310.275 3.078 20 10 DGCDRN CC1(C)C[N@H+](Cc2cccc(Br)c2[O-])CCCO1 ZINC000386597431 685179268 /nfs/dbraw/zinc/17/92/68/685179268.db2.gz KLUFRGKQOGWDLH-UHFFFAOYSA-N 0 0 314.223 3.156 20 10 DGCDRN CC(C)(COCc1ccccc1)NC(=O)Nc1ccc(N)cc1 ZINC000390043801 685198822 /nfs/dbraw/zinc/19/88/22/685198822.db2.gz GJPUODPTWCZKDH-UHFFFAOYSA-N 0 0 313.401 3.386 20 10 DGCDRN Cc1ccc(-n2cccn2)cc1NC(=O)NCc1ccc(N)cc1 ZINC001579655750 1191984724 /nfs/dbraw/zinc/98/47/24/1191984724.db2.gz JZYIZNXXAZQXNO-UHFFFAOYSA-N 0 0 321.384 3.085 20 10 DGCDRN Nc1ccc(CNc2cc(Cl)nc([C@@H]3CCCO3)n2)cc1 ZINC001580447125 1192027352 /nfs/dbraw/zinc/02/73/52/1192027352.db2.gz QNDFZYBZOCGRNH-LBPRGKRZSA-N 0 0 304.781 3.176 20 10 DGCDRN Cc1ccc(Cl)c2c1N(C(=O)/C=C\c1cnn(C)c1)CCC2 ZINC001584450234 1192198575 /nfs/dbraw/zinc/19/85/75/1192198575.db2.gz JWIKLKWUHBJXRB-VURMDHGXSA-N 0 0 315.804 3.375 20 10 DGCDRN COc1cc(NC(=O)c2sccc2-n2c(C)ccc2C)[nH]n1 ZINC001584680105 1192213027 /nfs/dbraw/zinc/21/30/27/1192213027.db2.gz JPGKSAZIMBFUOW-UHFFFAOYSA-N 0 0 316.386 3.140 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)C(C)(C)C)cc1 ZINC001585449040 1192261890 /nfs/dbraw/zinc/26/18/90/1192261890.db2.gz DLPINVKIPTUMAN-CQSZACIVSA-N 0 0 306.450 3.272 20 10 DGCDRN CC(C)(C)[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001586086522 1192307062 /nfs/dbraw/zinc/30/70/62/1192307062.db2.gz OYEFLQQMRBNDQC-AWEZNQCLSA-N 0 0 305.418 3.315 20 10 DGCDRN CC(C)(C)[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001586086523 1192307459 /nfs/dbraw/zinc/30/74/59/1192307459.db2.gz OYEFLQQMRBNDQC-CQSZACIVSA-N 0 0 305.418 3.315 20 10 DGCDRN CN(Cc1c(F)cccc1Cl)C(=O)Cc1ccc(O)c(O)c1 ZINC001586973469 1192360878 /nfs/dbraw/zinc/36/08/78/1192360878.db2.gz MFAHFPWRBLCFHH-UHFFFAOYSA-N 0 0 323.751 3.091 20 10 DGCDRN C[C@H](NC(=O)CNc1ccccc1Cl)c1ccccc1O ZINC001587450977 1192400641 /nfs/dbraw/zinc/40/06/41/1192400641.db2.gz CNNVDUQSDRZPAG-NSHDSACASA-N 0 0 304.777 3.335 20 10 DGCDRN CCCCC[C@H](O)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001587551963 1192406204 /nfs/dbraw/zinc/40/62/04/1192406204.db2.gz JLGBPXBPHMAWJQ-SFHVURJKSA-N 0 0 318.461 3.186 20 10 DGCDRN C[C@@H](CSc1ccccc1)C(=O)NCc1cccc(O)c1O ZINC001593739547 1192640416 /nfs/dbraw/zinc/64/04/16/1192640416.db2.gz PVUMHJAJKSIBDC-LBPRGKRZSA-N 0 0 317.410 3.142 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1ccc(-c2ccccc2)o1 ZINC001593739341 1192640425 /nfs/dbraw/zinc/64/04/25/1192640425.db2.gz LDOBFDPWSRWCIY-UHFFFAOYSA-N 0 0 309.321 3.288 20 10 DGCDRN C[C@H](CCCc1ccccc1)C(=O)NCc1cc(O)ccc1O ZINC001593873496 1192640723 /nfs/dbraw/zinc/64/07/23/1192640723.db2.gz QTZMCKRTWAXFGC-CQSZACIVSA-N 0 0 313.397 3.373 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2ncsc2C2CC2)cc1 ZINC001593869382 1192640747 /nfs/dbraw/zinc/64/07/47/1192640747.db2.gz ULJWYHAYUVOMPN-UHFFFAOYSA-N 0 0 315.358 3.435 20 10 DGCDRN O=C(NCc1ccccc1O)c1ccc(OC(F)F)cc1F ZINC001595800186 1192670761 /nfs/dbraw/zinc/67/07/61/1192670761.db2.gz RXTZOZYRDDYQAK-UHFFFAOYSA-N 0 0 311.259 3.063 20 10 DGCDRN Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C(C)C)c(O)c1O ZINC001596073085 1192680201 /nfs/dbraw/zinc/68/02/01/1192680201.db2.gz OHFVZBQKOIYZAV-MRXNPFEDSA-N 0 0 313.397 3.403 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2c(C)cccc2O)cc1 ZINC001596578678 1192697897 /nfs/dbraw/zinc/69/78/97/1192697897.db2.gz KMMRUWWJTLPDQN-UHFFFAOYSA-N 0 0 312.413 3.477 20 10 DGCDRN Cc1ccc(Cl)c(OCC(=O)NCc2c(O)cccc2F)c1 ZINC001596907452 1192710542 /nfs/dbraw/zinc/71/05/42/1192710542.db2.gz XYZLUMKMGXPBQS-UHFFFAOYSA-N 0 0 323.751 3.188 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC001596911006 1192710551 /nfs/dbraw/zinc/71/05/51/1192710551.db2.gz CIFWHPLMMGRSAC-MNOVXSKESA-N 0 0 321.298 3.229 20 10 DGCDRN O=C(NCc1c(O)cccc1F)N[C@H](CF)c1ccc(F)cc1 ZINC001687379878 1176841017 /nfs/dbraw/zinc/84/10/17/1176841017.db2.gz BXAGZSSODABLEW-CQSZACIVSA-N 0 0 324.302 3.180 20 10 DGCDRN C[C@H](NS(=O)(=O)CC1(C)CCCCC1)c1ccccc1O ZINC001670952535 1177552641 /nfs/dbraw/zinc/55/26/41/1177552641.db2.gz WATFTDFJGRLRQK-ZDUSSCGKSA-N 0 0 311.447 3.343 20 10 DGCDRN Cc1cc(O)c(C[NH2+][C@@H](C(=O)[O-])c2cccs2)cc1Cl ZINC001600286820 1192827542 /nfs/dbraw/zinc/82/75/42/1192827542.db2.gz WUZUZTMPFSBRIT-CYBMUJFWSA-N 0 0 311.790 3.331 20 10 DGCDRN Cc1ccc(O)c(C[NH2+]Cc2c3ccccc3[nH]c2C(=O)[O-])c1 ZINC001600464488 1192857860 /nfs/dbraw/zinc/85/78/60/1192857860.db2.gz DIPQCGLZCSIMRW-UHFFFAOYSA-N 0 0 310.353 3.170 20 10 DGCDRN Cc1ccc(O)c(C[NH2+][C@H](C(=O)[O-])c2ccc(F)c(C)c2)c1 ZINC001600464729 1192858029 /nfs/dbraw/zinc/85/80/29/1192858029.db2.gz JROMMPNMDRXDBD-INIZCTEOSA-N 0 0 303.333 3.064 20 10 DGCDRN CN(C)c1cc(F)c(CNc2cccc3c2OCO3)cc1F ZINC001331277860 1178172188 /nfs/dbraw/zinc/17/21/88/1178172188.db2.gz TULANDUZJAFYDK-UHFFFAOYSA-N 0 0 306.312 3.372 20 10 DGCDRN CCn1nc(C(C)C)cc1C(=O)N[C@@H](C)c1ccccc1O ZINC001332382018 1178431813 /nfs/dbraw/zinc/43/18/13/1178431813.db2.gz VTVMIURNOXZPAL-LBPRGKRZSA-N 0 0 301.390 3.223 20 10 DGCDRN Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001600808648 1192900182 /nfs/dbraw/zinc/90/01/82/1192900182.db2.gz WTFRGMPSDHZFEH-IUCAKERBSA-N 0 0 304.346 3.107 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1CCc2cc(N)ccc21)c1ccccc1O ZINC001334212072 1178736159 /nfs/dbraw/zinc/73/61/59/1178736159.db2.gz IMEOOQJMPBANML-ZBEGNZNMSA-N 0 0 311.385 3.022 20 10 DGCDRN CN(Cc1nc(C(F)(F)F)cs1)Cc1ccc(N)cc1 ZINC001334775130 1178795151 /nfs/dbraw/zinc/79/51/51/1178795151.db2.gz SIODSFHDRQZMRQ-UHFFFAOYSA-N 0 0 301.337 3.376 20 10 DGCDRN Cn1c2ccc(F)cc2c(C[NH2+]C2CCSCC2)c1C(=O)[O-] ZINC001600902482 1192910010 /nfs/dbraw/zinc/91/00/10/1192910010.db2.gz VJYFYNRINYOWMY-UHFFFAOYSA-N 0 0 322.405 3.001 20 10 DGCDRN C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)NCc1ccc(N)cc1 ZINC001335736682 1178947177 /nfs/dbraw/zinc/94/71/77/1178947177.db2.gz FSHGTIHRQCTKSH-WMLDXEAASA-N 0 0 309.413 3.356 20 10 DGCDRN CC[C@@H](NC(=O)NCc1ccc(N)cc1)c1ccc(OC)cc1 ZINC001335910950 1178970687 /nfs/dbraw/zinc/97/06/87/1178970687.db2.gz LXNWYPBMDQZWIL-QGZVFWFLSA-N 0 0 313.401 3.228 20 10 DGCDRN COc1cccc(F)c1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC001336082907 1178990943 /nfs/dbraw/zinc/99/09/43/1178990943.db2.gz GKQWKIASYHDJPM-JTQLQIEISA-N 0 0 320.320 3.299 20 10 DGCDRN Nc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)cc1 ZINC001336117996 1178995664 /nfs/dbraw/zinc/99/56/64/1178995664.db2.gz UJVCCYSJIDEEKG-IBGZPJMESA-N 0 0 323.440 3.053 20 10 DGCDRN O=C(c1cccc2c1CCN2)N1C[C@@H]2CCCN2c2ccccc21 ZINC001341569857 1179030559 /nfs/dbraw/zinc/03/05/59/1179030559.db2.gz AAHNKIZIDLGKCD-AWEZNQCLSA-N 0 0 319.408 3.284 20 10 DGCDRN CCCN(Cc1ccccc1O)c1cc(C)nc(COCC)n1 ZINC001342947728 1179215194 /nfs/dbraw/zinc/21/51/94/1179215194.db2.gz QURIPURRFNTAMK-UHFFFAOYSA-N 0 0 315.417 3.444 20 10 DGCDRN C[C@H](Nc1nc(Cl)nc2nc[nH]c21)c1ccc(N(C)C)cc1 ZINC001343001301 1179222799 /nfs/dbraw/zinc/22/27/99/1179222799.db2.gz NYCGEFVRHVXYSW-VIFPVBQESA-N 0 0 316.796 3.245 20 10 DGCDRN COc1ccc(CNC(=O)c2cc(C)n(C3CC3)c2C)c(O)c1 ZINC001344406055 1179427998 /nfs/dbraw/zinc/42/79/98/1179427998.db2.gz MZLUJCTWWXJAMV-UHFFFAOYSA-N 0 0 314.385 3.084 20 10 DGCDRN CC1(C)CC[C@@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])OC1 ZINC001621047887 1192960135 /nfs/dbraw/zinc/96/01/35/1192960135.db2.gz IOXGLMBLJSZUEW-LBPRGKRZSA-N 0 0 301.789 3.480 20 10 DGCDRN Nc1ccc(CC(=O)NC2(Cc3ccccc3)CCCC2)cc1 ZINC001346180119 1179667123 /nfs/dbraw/zinc/66/71/23/1179667123.db2.gz XTHHVIRZCDOYKH-UHFFFAOYSA-N 0 0 308.425 3.483 20 10 DGCDRN CC(C)(C)[C@H]1CCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC001346222370 1179672055 /nfs/dbraw/zinc/67/20/55/1179672055.db2.gz SGURFBVASPHNBK-QGZVFWFLSA-N 0 0 313.445 3.393 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)[C@@H](C)C3CCC3)CC2)cc1 ZINC001348039135 1179826028 /nfs/dbraw/zinc/82/60/28/1179826028.db2.gz SWELALUCIKHQGS-HNNXBMFYSA-N 0 0 316.445 3.170 20 10 DGCDRN CC1(C)CCC[C@H](COC(=O)/C=C/c2ccc(O)c(O)c2)O1 ZINC001349982646 1179991594 /nfs/dbraw/zinc/99/15/94/1179991594.db2.gz NHAOUERIYBCEBF-STMXVASLSA-N 0 0 306.358 3.002 20 10 DGCDRN COc1ccc(-n2c(C)cc(C(=O)NCCC(F)F)c2C)cc1 ZINC001351036516 1180161422 /nfs/dbraw/zinc/16/14/22/1180161422.db2.gz JQSXHEWJBHEGQM-UHFFFAOYSA-N 0 0 322.355 3.488 20 10 DGCDRN COc1cccc(CNC(=O)C23CCC(CC2)C3(C)C)c1O ZINC001351665702 1180234844 /nfs/dbraw/zinc/23/48/44/1180234844.db2.gz FZCFVYIBCREOAC-UHFFFAOYSA-N 0 0 303.402 3.233 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)Cc1ccccc1 ZINC001351673576 1180236727 /nfs/dbraw/zinc/23/67/27/1180236727.db2.gz KKWSPMXBGQSOHQ-UHFFFAOYSA-N 0 0 308.425 3.488 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)[C@@]3(C)C=CCC3)CC2)cc1 ZINC001351768559 1180246249 /nfs/dbraw/zinc/24/62/49/1180246249.db2.gz KGMDBKLQCPHLEW-IBGZPJMESA-N 0 0 314.429 3.090 20 10 DGCDRN CC(C)Oc1ccc(N(C)Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC001603363681 1193016765 /nfs/dbraw/zinc/01/67/65/1193016765.db2.gz GBPISKUOCZCEJA-UHFFFAOYSA-N 0 0 323.400 3.290 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1C[C@H](C)CC[C@H]1C ZINC001352321439 1180320993 /nfs/dbraw/zinc/32/09/93/1180320993.db2.gz PKLRIYPAUWAOEZ-GHMZBOCLSA-N 0 0 306.435 3.357 20 10 DGCDRN CCCCCNC(=S)NCc1ccc(N2CCCC2)cc1 ZINC001200062048 1180356659 /nfs/dbraw/zinc/35/66/59/1180356659.db2.gz PGDMOJAZTFPTQD-UHFFFAOYSA-N 0 0 305.491 3.441 20 10 DGCDRN O=C(NCc1cccc(O)c1O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001352657284 1180375986 /nfs/dbraw/zinc/37/59/86/1180375986.db2.gz BUJMCKFORFOVPU-GXSJLCMTSA-N 0 0 317.307 3.083 20 10 DGCDRN CC(C)C1(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)CC1 ZINC001603748964 1193029482 /nfs/dbraw/zinc/02/94/82/1193029482.db2.gz NVVFVPASVYFZLX-UHFFFAOYSA-N 0 0 311.809 3.368 20 10 DGCDRN CC[C@H](C)CNC(=S)N(CC)Cc1ccc(N(C)C)cc1 ZINC001200263704 1180492828 /nfs/dbraw/zinc/49/28/28/1180492828.db2.gz YVLFIRAVSARKTP-AWEZNQCLSA-N 0 0 307.507 3.495 20 10 DGCDRN Cc1cc(Cl)nc(C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC001353505299 1180573452 /nfs/dbraw/zinc/57/34/52/1180573452.db2.gz YHJZUEFEESRUSJ-UHFFFAOYSA-N 0 0 303.793 3.039 20 10 DGCDRN CN(C)c1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001300399693 1180641272 /nfs/dbraw/zinc/64/12/72/1180641272.db2.gz MFNBINSRWGXCSR-UHFFFAOYSA-N 0 0 304.777 3.042 20 10 DGCDRN CCO[C@H](C(=O)NCc1cc(Cl)ccc1O)c1ccccc1 ZINC001300402271 1180643711 /nfs/dbraw/zinc/64/37/11/1180643711.db2.gz XQVDPNUZDVUISP-INIZCTEOSA-N 0 0 319.788 3.440 20 10 DGCDRN CC[C@H](C)NC(=S)NCc1ccc(N2CCCCC2)cc1 ZINC001200493710 1180680893 /nfs/dbraw/zinc/68/08/93/1180680893.db2.gz KAHROGXABATLHO-AWEZNQCLSA-N 0 0 305.491 3.440 20 10 DGCDRN C[C@@H]1C[C@@H](C)[C@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)O1 ZINC001353912291 1180681844 /nfs/dbraw/zinc/68/18/44/1180681844.db2.gz WGKHCEKYUWOIOI-IIDMSEBBSA-N 0 0 316.445 3.059 20 10 DGCDRN CCOc1ccnc(CNC(=S)Nc2ccc(F)c(F)c2)c1 ZINC001200706980 1180840713 /nfs/dbraw/zinc/84/07/13/1180840713.db2.gz YDKOWIHSDIIGHG-UHFFFAOYSA-N 0 0 323.368 3.245 20 10 DGCDRN C[C@@](C[NH2+]Cc1c(O)cccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001604185787 1193058610 /nfs/dbraw/zinc/05/86/10/1193058610.db2.gz SONPDZQJQOZXIM-KRWDZBQOSA-N 0 0 319.788 3.178 20 10 DGCDRN C[C@H](C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O)c1nccs1 ZINC001604186069 1193059045 /nfs/dbraw/zinc/05/90/45/1193059045.db2.gz VVUCWVQTGNUWKT-NXEZZACHSA-N 0 0 306.387 3.001 20 10 DGCDRN C/C(=C/c1ccncc1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001356251885 1181164528 /nfs/dbraw/zinc/16/45/28/1181164528.db2.gz XSAXNJGHVTZYEL-RAXLEYEMSA-N 0 0 313.376 3.006 20 10 DGCDRN CO[C@@H]1CCC[C@H]1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001356267181 1181166536 /nfs/dbraw/zinc/16/65/36/1181166536.db2.gz NMLCENKTTDDLSD-QZTJIDSGSA-N 0 0 316.445 3.060 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1CCSC(C)(C)C1 ZINC001356278724 1181169720 /nfs/dbraw/zinc/16/97/20/1181169720.db2.gz RDKXWJTWRRYFJL-UHFFFAOYSA-N 0 0 324.475 3.064 20 10 DGCDRN C[C@H]1CN(C(=O)NCc2ccc(N)cc2)CCc2ccccc21 ZINC001357790640 1181427314 /nfs/dbraw/zinc/42/73/14/1181427314.db2.gz FIRGPCAKRKEWAV-AWEZNQCLSA-N 0 0 309.413 3.140 20 10 DGCDRN Nc1ccc(CNC(=O)N(Cc2ccccc2F)C2CC2)cc1 ZINC001357792177 1181427926 /nfs/dbraw/zinc/42/79/26/1181427926.db2.gz UIOUHTODIYYXBK-UHFFFAOYSA-N 0 0 313.376 3.282 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@H]2C[C@H]2C2CCCC2)cc1F ZINC001434913429 1181779093 /nfs/dbraw/zinc/77/90/93/1181779093.db2.gz AIYOPOLTWQIVGV-GJZGRUSLSA-N 0 0 304.409 3.334 20 10 DGCDRN C[C@H](NC(=O)C[C@@H]1Cc2ccccc2O1)c1ccc(N(C)C)cc1 ZINC001435954431 1181857325 /nfs/dbraw/zinc/85/73/25/1181857325.db2.gz XNEMHYQWDOHKBS-KSSFIOAISA-N 0 0 324.424 3.324 20 10 DGCDRN COCCN(C(=O)/C=C/c1ccc(Cl)nc1)c1ccccc1 ZINC001436261366 1181879542 /nfs/dbraw/zinc/87/95/42/1181879542.db2.gz PPSOIYIGHHFDCJ-CSKARUKUSA-N 0 0 316.788 3.428 20 10 DGCDRN CCCCC[C@@H](O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC001441911619 1182071503 /nfs/dbraw/zinc/07/15/03/1182071503.db2.gz GGANKFJKXCUCNU-GOSISDBHSA-N 0 0 320.477 3.431 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N(CC1CCC1)c1ccccc1 ZINC001445217212 1182140670 /nfs/dbraw/zinc/14/06/70/1182140670.db2.gz DHVJIFFDOGTQMZ-UHFFFAOYSA-N 0 0 311.381 3.474 20 10 DGCDRN CCCN(Cc1cc(C(=O)[O-])oc1C)c1ccc(C[NH3+])cc1 ZINC001605317196 1193142767 /nfs/dbraw/zinc/14/27/67/1193142767.db2.gz GUSIQLCBAAPNMT-UHFFFAOYSA-N 0 0 302.374 3.162 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(F)c(F)cc1N ZINC001445659730 1182152664 /nfs/dbraw/zinc/15/26/64/1182152664.db2.gz YCIGKRTVLOFWIA-UHFFFAOYSA-N 0 0 320.339 3.305 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C(C)=C/c2ccccn2)c1 ZINC001445971230 1182158769 /nfs/dbraw/zinc/15/87/69/1182158769.db2.gz ULDSCMFVZAYXMD-RSKUSDAESA-N 0 0 312.369 3.077 20 10 DGCDRN CCOc1ccc(Cl)c(NC(=O)c2cccc(O)c2O)c1 ZINC001449930083 1182236572 /nfs/dbraw/zinc/23/65/72/1182236572.db2.gz HMXWOHLZIWQYMS-UHFFFAOYSA-N 0 0 307.733 3.402 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1ccc(C(F)F)c(F)c1 ZINC001451746741 1182274680 /nfs/dbraw/zinc/27/46/80/1182274680.db2.gz FADDBUAHNSPWFD-UHFFFAOYSA-N 0 0 311.259 3.105 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1ccc2c(c1)CCOC2 ZINC001452936994 1182305295 /nfs/dbraw/zinc/30/52/95/1182305295.db2.gz UCQJEDKMPXDHDR-UHFFFAOYSA-N 0 0 317.772 3.048 20 10 DGCDRN COc1cc(Cl)cc(C(=O)NCc2cc(C)ccc2O)c1 ZINC001453648524 1182322030 /nfs/dbraw/zinc/32/20/30/1182322030.db2.gz JMTLJVXLNXACKL-UHFFFAOYSA-N 0 0 305.761 3.293 20 10 DGCDRN O=C(Nc1cc(F)cc(OC(F)F)c1)c1cccc(O)c1O ZINC001455008087 1182356760 /nfs/dbraw/zinc/35/67/60/1182356760.db2.gz ZQTVKVOFTDZROC-UHFFFAOYSA-N 0 0 313.231 3.091 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001455354317 1182367233 /nfs/dbraw/zinc/36/72/33/1182367233.db2.gz MDMMIHLCVUGEBT-LSDHHAIUSA-N 0 0 317.772 3.171 20 10 DGCDRN COc1cc(NC(=O)Cc2ccc(O)c(O)c2)cc2ccccc21 ZINC001456177741 1182404157 /nfs/dbraw/zinc/40/41/57/1182404157.db2.gz MWDGGAUUWOAAIH-UHFFFAOYSA-N 0 0 323.348 3.441 20 10 DGCDRN C[C@@H](CSc1ccccc1)C(=O)NCc1c(O)cccc1O ZINC001456236830 1182406970 /nfs/dbraw/zinc/40/69/70/1182406970.db2.gz QXKAUHWESMCHTJ-LBPRGKRZSA-N 0 0 317.410 3.142 20 10 DGCDRN CC(C)c1ccc(CCC(=O)NCc2c(O)cccc2O)cc1 ZINC001456235855 1182407434 /nfs/dbraw/zinc/40/74/34/1182407434.db2.gz PASCLYMIXKHZOW-UHFFFAOYSA-N 0 0 313.397 3.470 20 10 DGCDRN O=C(CSC(F)(F)F)NCc1c(O)ccc2ccccc21 ZINC001456307278 1182409533 /nfs/dbraw/zinc/40/95/33/1182409533.db2.gz ARIAPVQGFRLBRN-UHFFFAOYSA-N 0 0 315.316 3.415 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(=O)[nH]c2)cc1 ZINC001457805567 1182482434 /nfs/dbraw/zinc/48/24/34/1182482434.db2.gz ZRMXMOHDIVSSGX-UHFFFAOYSA-N 0 0 307.353 3.447 20 10 DGCDRN COC(=O)c1cnc(Sc2ncnc3sccc32)s1 ZINC001458392081 1182520134 /nfs/dbraw/zinc/52/01/34/1182520134.db2.gz OZKFQKDDBLUCTH-UHFFFAOYSA-N 0 0 309.397 3.086 20 10 DGCDRN COc1ccc(N(C)C[C@H]2CCC3(CCC3)CO2)cc1OC ZINC001459391371 1182585380 /nfs/dbraw/zinc/58/53/80/1182585380.db2.gz GACGNLUCXVUCMR-OAHLLOKOSA-N 0 0 305.418 3.489 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2CCc1ccccc1F ZINC001459875584 1182625403 /nfs/dbraw/zinc/62/54/03/1182625403.db2.gz MAEZKVHDGMRISU-UHFFFAOYSA-N 0 0 300.377 3.333 20 10 DGCDRN COc1cc2c(c(OC)c1)N(CC(F)(F)C(F)F)CCC2 ZINC001460249168 1182667670 /nfs/dbraw/zinc/66/76/70/1182667670.db2.gz SECZYOGCSSVQLP-UHFFFAOYSA-N 0 0 307.287 3.357 20 10 DGCDRN C[C@H](NCc1nc(-c2ccccc2F)no1)c1ccccc1O ZINC001460635840 1182702606 /nfs/dbraw/zinc/70/26/06/1182702606.db2.gz FPWPOOXMYXZAAB-NSHDSACASA-N 0 0 313.332 3.432 20 10 DGCDRN CC[C@@H](C)[C@@H](C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001461336854 1182795717 /nfs/dbraw/zinc/79/57/17/1182795717.db2.gz IULAGHYVSXKDHP-HUUCEWRRSA-N 0 0 306.450 3.272 20 10 DGCDRN Oc1c(F)cc(Br)cc1CNc1cc(F)ccn1 ZINC001461743400 1182848972 /nfs/dbraw/zinc/84/89/72/1182848972.db2.gz KNORXXDCGDCIDQ-UHFFFAOYSA-N 0 0 315.117 3.440 20 10 DGCDRN Cc1c(NCc2cc(C(C)C)ccc2O)cccc1-n1cnnn1 ZINC001461955126 1182885648 /nfs/dbraw/zinc/88/56/48/1182885648.db2.gz LWHALYXYHNMDKV-UHFFFAOYSA-N 0 0 323.400 3.412 20 10 DGCDRN CCC[N@H+](CCN1CCCCC1)Cc1cc(F)c(F)cc1[O-] ZINC001462223812 1182926138 /nfs/dbraw/zinc/92/61/38/1182926138.db2.gz USHPEIUQJFLIJV-UHFFFAOYSA-N 0 0 312.404 3.368 20 10 DGCDRN Cn1c2ccc(F)cc2c(C[N@H+](C)C[C@@H]2CC2(C)C)c1C(=O)[O-] ZINC001606143378 1193191680 /nfs/dbraw/zinc/19/16/80/1193191680.db2.gz KNLDQSBTGCHPIW-NSHDSACASA-N 0 0 318.392 3.494 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc(Cl)nn1 ZINC001462314040 1182938145 /nfs/dbraw/zinc/93/81/45/1182938145.db2.gz MLQMCJRBUWRGEP-UHFFFAOYSA-N 0 0 318.591 3.432 20 10 DGCDRN Fc1cc(-c2nn[nH]n2)ccc1Sc1ncc(Cl)s1 ZINC001606307703 1193196310 /nfs/dbraw/zinc/19/63/10/1193196310.db2.gz NBVOPGNNKLSDDS-UHFFFAOYSA-N 0 0 313.770 3.267 20 10 DGCDRN O=C(Cn1ccc2ccccc21)NCc1cccc(Cl)c1O ZINC001606860144 1193206271 /nfs/dbraw/zinc/20/62/71/1193206271.db2.gz GIHKZXHTOFNFMT-UHFFFAOYSA-N 0 0 314.772 3.317 20 10 DGCDRN CNc1cc(Cl)ccc1C(=O)NCc1cccc(OC)c1O ZINC001465993946 1183182185 /nfs/dbraw/zinc/18/21/85/1183182185.db2.gz ZGEFBZKPRKBUQD-UHFFFAOYSA-N 0 0 320.776 3.026 20 10 DGCDRN O=C(Nc1ccccc1[C@@H](O)C(F)(F)F)C1=CC(=O)CS1 ZINC001466471103 1183207621 /nfs/dbraw/zinc/20/76/21/1183207621.db2.gz PKCKQRHHBCRBKH-LLVKDONJSA-N 0 0 317.288 3.302 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccn(C(C)C)c1C ZINC001467841552 1183292919 /nfs/dbraw/zinc/29/29/19/1183292919.db2.gz YKIXRDJEFBVZER-UHFFFAOYSA-N 0 0 321.417 3.499 20 10 DGCDRN Cc1ccc(C(=O)N[C@H]2c3ccccc3CC[C@H]2C)c(O)c1O ZINC001546172271 1183383347 /nfs/dbraw/zinc/38/33/47/1183383347.db2.gz RSZCGXLCHDDPAM-BDJLRTHQSA-N 0 0 311.381 3.460 20 10 DGCDRN C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001546172186 1183383614 /nfs/dbraw/zinc/38/36/14/1183383614.db2.gz PFAJOSRXSYWNBQ-CWTRNNRKSA-N 0 0 311.381 3.080 20 10 DGCDRN C[C@@H](C(=O)NCc1ccc2cccnc2c1O)c1ccccc1 ZINC001469248523 1183394075 /nfs/dbraw/zinc/39/40/75/1183394075.db2.gz ITVKWXNOJJGWMK-CYBMUJFWSA-N 0 0 306.365 3.360 20 10 DGCDRN COc1ccc(O)c([C@@H](C)[NH2+]Cc2csc(C(=O)[O-])c2)c1 ZINC001607277048 1193221994 /nfs/dbraw/zinc/22/19/94/1193221994.db2.gz NEZCRCLCWJUFQU-SECBINFHSA-N 0 0 307.371 3.011 20 10 DGCDRN CC(C)=CCNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001469786459 1183438022 /nfs/dbraw/zinc/43/80/22/1183438022.db2.gz VOQKBBZHZABXNH-OAHLLOKOSA-N 0 0 303.450 3.257 20 10 DGCDRN COc1cccc(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)c1C ZINC001607323196 1193224571 /nfs/dbraw/zinc/22/45/71/1193224571.db2.gz CDMIUFQNVXZDCF-LBPRGKRZSA-N 0 0 315.369 3.258 20 10 DGCDRN C[C@@H](NC(=O)CCOc1ccccc1F)c1ccccc1O ZINC001471193565 1183545487 /nfs/dbraw/zinc/54/54/87/1183545487.db2.gz FXQQZGPQWIDYKJ-GFCCVEGCSA-N 0 0 303.333 3.178 20 10 DGCDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccccc1O ZINC001471194583 1183545679 /nfs/dbraw/zinc/54/56/79/1183545679.db2.gz LEQXLCJOKITKAV-NSHDSACASA-N 0 0 300.314 3.100 20 10 DGCDRN CC(C)COc1cccc(C(=O)NCc2cc(O)ccc2O)c1 ZINC001471660907 1183580799 /nfs/dbraw/zinc/58/07/99/1183580799.db2.gz MUTUIBTXNYJCQZ-UHFFFAOYSA-N 0 0 315.369 3.063 20 10 DGCDRN C[C@H](Cn1ccc2ccccc21)C(=O)NCc1c(O)cccc1O ZINC001472063664 1183612434 /nfs/dbraw/zinc/61/24/34/1183612434.db2.gz QCRFYKRMCDOQIY-CYBMUJFWSA-N 0 0 324.380 3.005 20 10 DGCDRN O=C(CC(F)(F)C(F)F)NCc1c(O)ccc2ccccc21 ZINC001472085305 1183614143 /nfs/dbraw/zinc/61/41/43/1183614143.db2.gz PKQMHCUORMBQGQ-UHFFFAOYSA-N 0 0 315.266 3.452 20 10 DGCDRN CC(=O)c1ccc(C(=O)NCc2cccc(Cl)c2O)s1 ZINC001472316057 1183634600 /nfs/dbraw/zinc/63/46/00/1183634600.db2.gz JYZMVEXNQWCUJY-UHFFFAOYSA-N 0 0 309.774 3.240 20 10 DGCDRN CSc1ccc([C@@H](C)NC(=O)c2c(F)ccc(O)c2O)cc1 ZINC001472550925 1183651470 /nfs/dbraw/zinc/65/14/70/1183651470.db2.gz NRUMNQSWHDEZKV-SECBINFHSA-N 0 0 321.373 3.450 20 10 DGCDRN Oc1ccc(CCNc2cnc3cc(Cl)ccc3n2)cc1O ZINC001472716407 1183671245 /nfs/dbraw/zinc/67/12/45/1183671245.db2.gz QADRUPUSRDXAQX-UHFFFAOYSA-N 0 0 315.760 3.349 20 10 DGCDRN Cc1cc(CN2CCOCC(F)(F)C2)ccc1N1CCCCC1 ZINC001473526455 1183770537 /nfs/dbraw/zinc/77/05/37/1183770537.db2.gz GHEKMGIVCHNZDY-UHFFFAOYSA-N 0 0 324.415 3.453 20 10 DGCDRN Cc1cc(Cl)cc(C[NH+]2CCC3(C[C@H]3C(=O)[O-])CC2)c1O ZINC001607655731 1193245421 /nfs/dbraw/zinc/24/54/21/1193245421.db2.gz HGEQKDJIQHYDKH-ZDUSSCGKSA-N 0 0 309.793 3.041 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])C(=O)Nc1ccccc1 ZINC001473996809 1183847383 /nfs/dbraw/zinc/84/73/83/1183847383.db2.gz ZSVASHBBVPKIFE-JTQLQIEISA-N 0 0 322.767 3.302 20 10 DGCDRN CNC(=O)N(C)c1ccc(NCc2cc(F)cc(F)c2O)cc1 ZINC001474250198 1183889546 /nfs/dbraw/zinc/88/95/46/1183889546.db2.gz LEOSZUFIKSBPAU-UHFFFAOYSA-N 0 0 321.327 3.058 20 10 DGCDRN Cc1cc(O)c(C[NH2+]Cc2ccc(C(=O)[O-])cc2F)cc1C ZINC001607699999 1193249350 /nfs/dbraw/zinc/24/93/50/1193249350.db2.gz PVGCUYRUWZVETA-UHFFFAOYSA-N 0 0 303.333 3.136 20 10 DGCDRN Cc1cc(O)c(C[NH2+]Cc2ccc(Cl)c(C(=O)[O-])n2)cc1C ZINC001607699886 1193249761 /nfs/dbraw/zinc/24/97/61/1193249761.db2.gz OFXRDPYZQVTUKG-UHFFFAOYSA-N 0 0 320.776 3.045 20 10 DGCDRN Cc1cc(O)c(CNc2ccc3c(c2)OCC(=O)N3)cc1Cl ZINC001474433640 1183920710 /nfs/dbraw/zinc/92/07/10/1183920710.db2.gz SNJGLSMJVRQQBE-UHFFFAOYSA-N 0 0 318.760 3.297 20 10 DGCDRN Oc1cc(F)c(F)cc1CN1CCOc2cccc(F)c2C1 ZINC001474472904 1183927799 /nfs/dbraw/zinc/92/77/99/1183927799.db2.gz HONORDBBONOWJQ-UHFFFAOYSA-N 0 0 309.287 3.204 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2C[C@@H](C(C)C)[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC001474521470 1183934878 /nfs/dbraw/zinc/93/48/78/1183934878.db2.gz MJBWEGSUOYQMRD-DZGCQCFKSA-N 0 0 322.405 3.421 20 10 DGCDRN Oc1ccc2c(c1)C1(CC1)CN(Cc1cc(F)c(F)cc1O)C2 ZINC001474543628 1183938595 /nfs/dbraw/zinc/93/85/95/1183938595.db2.gz YZHNNESCIBEGHP-UHFFFAOYSA-N 0 0 317.335 3.423 20 10 DGCDRN CC(C)c1ccc(O)c(CNCc2nnc(C(C)(C)C)[nH]2)c1 ZINC001474572816 1183943202 /nfs/dbraw/zinc/94/32/02/1183943202.db2.gz JGQXXHAQBSZMEV-UHFFFAOYSA-N 0 0 302.422 3.221 20 10 DGCDRN Cc1cc(O)c(CN2Cc3ccccc3NC(=O)C2)c(Cl)c1 ZINC001474599392 1183947255 /nfs/dbraw/zinc/94/72/55/1183947255.db2.gz UIPKATBCGUEKDL-UHFFFAOYSA-N 0 0 316.788 3.308 20 10 DGCDRN Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(F)cc(F)c3[O-])C2)nc1 ZINC001474649697 1183956362 /nfs/dbraw/zinc/95/63/62/1183956362.db2.gz GBJIZBJXELKVPH-CQSZACIVSA-N 0 0 320.339 3.027 20 10 DGCDRN O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001474658114 1183957353 /nfs/dbraw/zinc/95/73/53/1183957353.db2.gz JGFJNQZDHLADAQ-OAHLLOKOSA-N 0 0 322.836 3.023 20 10 DGCDRN [O-]c1c(F)cccc1C[NH2+][C@@H](Cn1ccnc1)c1ccccc1 ZINC001474683270 1183960976 /nfs/dbraw/zinc/96/09/76/1183960976.db2.gz WTWYSZKXVQGZQC-KRWDZBQOSA-N 0 0 311.360 3.259 20 10 DGCDRN C[N@H+](CCc1ccc2c(c1)OCO2)Cc1cc(F)cc(F)c1[O-] ZINC001474711061 1183966922 /nfs/dbraw/zinc/96/69/22/1183966922.db2.gz ZJEYJMZFBHTLJN-UHFFFAOYSA-N 0 0 321.323 3.074 20 10 DGCDRN CCOc1ccc(NC(=O)N2Cc3cccc(O)c3C2)cc1F ZINC001476014025 1184025598 /nfs/dbraw/zinc/02/55/98/1184025598.db2.gz IQSVZFDYGJFCNK-UHFFFAOYSA-N 0 0 316.332 3.478 20 10 DGCDRN COc1cc(NC(=O)N[C@H](C)c2ccccc2O)ccc1F ZINC001476417372 1184038933 /nfs/dbraw/zinc/03/89/33/1184038933.db2.gz NDQOLXUVOPDFSR-SNVBAGLBSA-N 0 0 304.321 3.423 20 10 DGCDRN CSc1cccc(NC(=O)NCc2cc(Cl)ccc2O)n1 ZINC001476561538 1184043115 /nfs/dbraw/zinc/04/31/15/1184043115.db2.gz VFEXLPHTAMZACO-UHFFFAOYSA-N 0 0 323.805 3.484 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)Nc1ccc(F)nc1F ZINC001476645653 1184046603 /nfs/dbraw/zinc/04/66/03/1184046603.db2.gz KGVYYRXNHFUKJM-UHFFFAOYSA-N 0 0 313.691 3.041 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NCC2CC(C)C2)cc1 ZINC001477533389 1184094896 /nfs/dbraw/zinc/09/48/96/1184094896.db2.gz FGFCIMUGZQEGOQ-UHFFFAOYSA-N 0 0 303.450 3.378 20 10 DGCDRN CCCCCCN(O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001477652712 1184104623 /nfs/dbraw/zinc/10/46/23/1184104623.db2.gz HFJDWMYHNZTUGF-UHFFFAOYSA-N 0 0 311.401 3.373 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H]1CC12CCC2 ZINC001478841406 1184180050 /nfs/dbraw/zinc/18/00/50/1184180050.db2.gz VTAKBDXIJMWPFX-RHSMWYFYSA-N 0 0 315.461 3.234 20 10 DGCDRN Cc1ccc2c(c1)[C@H](NC(=O)NCc1c(O)cccc1F)CC2 ZINC001478912047 1184186457 /nfs/dbraw/zinc/18/64/57/1184186457.db2.gz IZPOSTKQGMBYMK-MRXNPFEDSA-N 0 0 314.360 3.326 20 10 DGCDRN COc1cccc(CNC(=O)NCC[C@H]2CCCC2(C)C)c1O ZINC001479016676 1184194225 /nfs/dbraw/zinc/19/42/25/1184194225.db2.gz DEEBWFDSEXPUKD-CQSZACIVSA-N 0 0 320.433 3.416 20 10 DGCDRN COc1ccc(F)c(CNC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001479015208 1184194612 /nfs/dbraw/zinc/19/46/12/1184194612.db2.gz MDWWALCQYOPPCT-NSHDSACASA-N 0 0 318.348 3.100 20 10 DGCDRN O=C([O-])[C@H](CC(F)F)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC001608529797 1193291338 /nfs/dbraw/zinc/29/13/38/1193291338.db2.gz GLNYVQRUARMGMB-AWEZNQCLSA-N 0 0 321.323 3.257 20 10 DGCDRN C[C@H]([NH2+]CCc1cccc(F)c1F)c1cc(C(=O)[O-])ccc1O ZINC001609776638 1193355742 /nfs/dbraw/zinc/35/57/42/1193355742.db2.gz BSPDMAPTSHEJLO-JTQLQIEISA-N 0 0 321.323 3.262 20 10 DGCDRN CCC(CC)[C@@H](C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O)N(C)C ZINC001609916449 1193364449 /nfs/dbraw/zinc/36/44/49/1193364449.db2.gz AGAGKIWBMQLYJT-MLGOLLRUSA-N 0 0 322.449 3.107 20 10 DGCDRN COC[C@@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)c1ccc(C)o1 ZINC001610249628 1193379901 /nfs/dbraw/zinc/37/99/01/1193379901.db2.gz RJVCKQFVZWPTCT-SMDDNHRTSA-N 0 0 319.357 3.030 20 10 DGCDRN Cc1cc(C)cc([C@@H]([NH2+]Cc2cc(F)ccc2O)C(=O)[O-])c1 ZINC001610456235 1193390212 /nfs/dbraw/zinc/39/02/12/1193390212.db2.gz SMPNFHOCNIQPAF-MRXNPFEDSA-N 0 0 303.333 3.064 20 10 DGCDRN Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001610537071 1193397137 /nfs/dbraw/zinc/39/71/37/1193397137.db2.gz WTLFYBHOLYARPJ-NWDGAFQWSA-N 0 0 300.358 3.206 20 10 DGCDRN O=C([O-])[C@H]1[C@@H]2C[N@H+](Cc3cc4oc5ccccc5c4cc3O)C[C@@H]21 ZINC001610803609 1193409136 /nfs/dbraw/zinc/40/91/36/1193409136.db2.gz GWZPVDIBCZEAAD-UOIKSKOESA-N 0 0 323.348 3.054 20 10 DGCDRN CC(C)c1nnc(N(C)Cc2ccccc2O)n1[C@H]1C[C@H]1C ZINC001508915375 1186526230 /nfs/dbraw/zinc/52/62/30/1186526230.db2.gz LNHBPDGHXWOMFL-OCCSQVGLSA-N 0 0 300.406 3.324 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccsc1Cl ZINC001611431104 1193433210 /nfs/dbraw/zinc/43/32/10/1193433210.db2.gz KHKWDLYHIQRRGA-MRVPVSSYSA-N 0 0 311.790 3.174 20 10 DGCDRN C[C@@H]1CCN(c2nnc(C3SC=CC3=O)n2CC2CC2)[C@@H]1C ZINC001518345887 1186838150 /nfs/dbraw/zinc/83/81/50/1186838150.db2.gz RVOBBGOLVHHGDJ-GHMZBOCLSA-N 0 0 318.446 3.357 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)c(F)c1F ZINC001519265776 1186871280 /nfs/dbraw/zinc/87/12/80/1186871280.db2.gz MOTQICQTCZWCMA-UHFFFAOYSA-N 0 0 322.330 3.408 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C\c2cccnc2C)c(OC)c1 ZINC001519543872 1186881130 /nfs/dbraw/zinc/88/11/30/1186881130.db2.gz QCBFUINFHAZQEL-YFHOEESVSA-N 0 0 312.369 3.083 20 10 DGCDRN COC(=O)c1cnc(NCc2cc(C)ccc2O)c(Cl)c1 ZINC001612628251 1193457866 /nfs/dbraw/zinc/45/78/66/1193457866.db2.gz TYAQXPLWNYONHU-UHFFFAOYSA-N 0 0 306.749 3.148 20 10 DGCDRN Cc1ccc(O)c(CNc2ncnc3ccc([N+](=O)[O-])cc32)c1 ZINC001612628075 1193458005 /nfs/dbraw/zinc/45/80/05/1193458005.db2.gz LWKNHVQGYZKBJG-UHFFFAOYSA-N 0 0 310.313 3.164 20 10 DGCDRN O=C(NC[C@H]1C[C@@H]1Cc1ccccc1)N1Cc2cccc(O)c2C1 ZINC001521519168 1187027588 /nfs/dbraw/zinc/02/75/88/1187027588.db2.gz PGJBZVXPJIYMGM-DLBZAZTESA-N 0 0 322.408 3.296 20 10 DGCDRN CC(C)(C)Cc1ncc(C(=O)NCc2cccc(O)c2O)s1 ZINC001521851289 1187052545 /nfs/dbraw/zinc/05/25/45/1187052545.db2.gz JMJPXKSRMWWLST-UHFFFAOYSA-N 0 0 320.414 3.073 20 10 DGCDRN Cc1cc(C(=O)NCCc2cc[nH]n2)c(C)n1-c1cccc(C)c1 ZINC001521851273 1187052653 /nfs/dbraw/zinc/05/26/53/1187052653.db2.gz JDZJNAOMNIMJDJ-UHFFFAOYSA-N 0 0 322.412 3.098 20 10 DGCDRN O=C(NCc1cccc(O)c1O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC001521851084 1187052739 /nfs/dbraw/zinc/05/27/39/1187052739.db2.gz GAAVVYHBURMZPP-LSDHHAIUSA-N 0 0 315.344 3.047 20 10 DGCDRN Oc1ccc(O)c(CNc2cc(Cl)nc([C@H]3CCCO3)n2)c1 ZINC001612844932 1193462440 /nfs/dbraw/zinc/46/24/40/1193462440.db2.gz RXEJORIKHUFNRA-GFCCVEGCSA-N 0 0 321.764 3.005 20 10 DGCDRN C[C@@H](NC(=O)c1cnc2cc[nH]c2c1)c1ccc(N(C)C)cc1 ZINC001523640101 1187177497 /nfs/dbraw/zinc/17/74/97/1187177497.db2.gz YGRKVZIVQNMLQD-GFCCVEGCSA-N 0 0 308.385 3.120 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cnc(F)c(C)c2)cc1 ZINC001525918188 1187340676 /nfs/dbraw/zinc/34/06/76/1187340676.db2.gz BWXMQORONBJKPG-UHFFFAOYSA-N 0 0 315.392 3.305 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)C[C@H]2CC[C@@H](C)C2)cc1 ZINC001530908080 1187652683 /nfs/dbraw/zinc/65/26/83/1187652683.db2.gz XHEHTSZVSXNJJS-CVEARBPZSA-N 0 0 318.461 3.416 20 10 DGCDRN NC(=O)[C@H](Cc1ccc(F)cc1)Sc1ncc(Cl)s1 ZINC001614768448 1193505905 /nfs/dbraw/zinc/50/59/05/1193505905.db2.gz JKJSINVIKFHKFU-VIFPVBQESA-N 0 0 316.810 3.124 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2)c(F)c1F ZINC001531321110 1187679578 /nfs/dbraw/zinc/67/95/78/1187679578.db2.gz NHDNPLZJTZISHP-UHFFFAOYSA-N 0 0 304.340 3.269 20 10 DGCDRN CCCc1cc(C(=O)Nc2c3nonc3ccc2Cl)no1 ZINC001531533503 1187695545 /nfs/dbraw/zinc/69/55/45/1187695545.db2.gz MLUQIOCXMDWKHF-UHFFFAOYSA-N 0 0 306.709 3.069 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2COC[C@H]2C2CC2)cc1 ZINC001537611186 1188086170 /nfs/dbraw/zinc/08/61/70/1188086170.db2.gz QEXRNKAOGSBERQ-RBUKOAKNSA-N 0 0 324.424 3.249 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C[C@@H]2CCCC[C@H]2O)cc1 ZINC001542089636 1188275888 /nfs/dbraw/zinc/27/58/88/1188275888.db2.gz WFMOWADQILTEPI-FUHWJXTLSA-N 0 0 318.461 3.090 20 10 DGCDRN CCC[C@H](OCC)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC001616925349 1193551690 /nfs/dbraw/zinc/55/16/90/1193551690.db2.gz WOYDWHCSHRRCKY-KRWDZBQOSA-N 0 0 324.440 3.493 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C(=O)C(C)(C)CC)cc1 ZINC001543179749 1188317475 /nfs/dbraw/zinc/31/74/75/1188317475.db2.gz UVFNCGPCJRUWQB-UHFFFAOYSA-N 0 0 304.434 3.154 20 10 DGCDRN CN(Cc1ccoc1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001543511015 1188338052 /nfs/dbraw/zinc/33/80/52/1188338052.db2.gz GRJOEXBAHICMMN-UHFFFAOYSA-N 0 0 303.339 3.178 20 10 DGCDRN Cn1cc(/C=C/C(=O)N2CC(C)(C)c3cc(Cl)ccc32)cn1 ZINC001543950440 1188371493 /nfs/dbraw/zinc/37/14/93/1188371493.db2.gz FAAOOHCRYWGXRN-QPJJXVBHSA-N 0 0 315.804 3.411 20 10 DGCDRN Cc1cc(CNC(=O)c2nccnc2C)c(C)n1-c1ccccc1 ZINC001544086197 1188376540 /nfs/dbraw/zinc/37/65/40/1188376540.db2.gz FOCDQZZNHWDGOT-UHFFFAOYSA-N 0 0 320.396 3.123 20 10 DGCDRN Nc1c(F)cc(F)cc1C(=O)Nc1cccc(N2CCCC2)c1 ZINC001544687694 1188406288 /nfs/dbraw/zinc/40/62/88/1188406288.db2.gz PVDOYFXBWILYRM-UHFFFAOYSA-N 0 0 317.339 3.400 20 10 DGCDRN Cc1cnn(C)c1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001617343781 1193566276 /nfs/dbraw/zinc/56/62/76/1193566276.db2.gz BAUOVNNIJBHBDP-UHFFFAOYSA-N 0 0 308.385 3.388 20 10 DGCDRN COc1ccc(N(CCC(C)C)C[C@@H]2C[C@H]3COC[C@@H]3O2)cc1 ZINC001617720636 1193578561 /nfs/dbraw/zinc/57/85/61/1193578561.db2.gz WTGXOEJIMXORGU-SNRMKQJTSA-N 0 0 319.445 3.352 20 10 DGCDRN Cc1ccc2occ(CC(=O)NCc3ccc(O)cc3O)c2c1 ZINC001557085153 1189040017 /nfs/dbraw/zinc/04/00/17/1189040017.db2.gz CPHRQSBUGFKDCP-UHFFFAOYSA-N 0 0 311.337 3.011 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1CCOc2ccccc21 ZINC001557386131 1189060943 /nfs/dbraw/zinc/06/09/43/1189060943.db2.gz OUJDVBHBDBZBAV-AWEZNQCLSA-N 0 0 317.772 3.228 20 10 DGCDRN COc1ccccc1/C(C)=C\C(=O)NCc1cc(C)ccc1O ZINC001557554393 1189071463 /nfs/dbraw/zinc/07/14/63/1189071463.db2.gz YITANFLYPADPMA-KAMYIIQDSA-N 0 0 311.381 3.429 20 10 DGCDRN Cc1nnc(-c2cccc(C(=O)N[C@H](C)c3ccccc3O)c2)o1 ZINC001557967181 1189094957 /nfs/dbraw/zinc/09/49/57/1189094957.db2.gz WQXSCKYAJSIAMC-LLVKDONJSA-N 0 0 323.352 3.242 20 10 DGCDRN C[C@@H](NC(=O)[C@@H]1CCOc2c(F)cccc21)c1ccccc1O ZINC001557967653 1189095538 /nfs/dbraw/zinc/09/55/38/1189095538.db2.gz IPCZHQVQJIJQPH-BXUZGUMPSA-N 0 0 315.344 3.275 20 10 DGCDRN COc1ccc(C(F)(F)C(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC001557968439 1189095981 /nfs/dbraw/zinc/09/59/81/1189095981.db2.gz ZFDJHJLRXOFOPL-NSHDSACASA-N 0 0 321.323 3.370 20 10 DGCDRN O=C(c1ncc(Cl)cc1Cl)N1Cc2cccc(O)c2C1 ZINC001558035010 1189100791 /nfs/dbraw/zinc/10/07/91/1189100791.db2.gz CJNGMPOXRBLYTP-UHFFFAOYSA-N 0 0 309.152 3.250 20 10 DGCDRN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1Cc2cccc(O)c2C1 ZINC001558036043 1189100927 /nfs/dbraw/zinc/10/09/27/1189100927.db2.gz SAEUKADQMTXTFH-UHFFFAOYSA-N 0 0 318.716 3.110 20 10 DGCDRN Cc1oc2ccccc2c1CC(=O)NCc1c(O)cccc1F ZINC001558454162 1189126428 /nfs/dbraw/zinc/12/64/28/1189126428.db2.gz AOKLFCXNBDBSCQ-UHFFFAOYSA-N 0 0 313.328 3.445 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cnoc1C1CC1 ZINC001558554350 1189133065 /nfs/dbraw/zinc/13/30/65/1189133065.db2.gz POTFBQZHPQFOOF-UHFFFAOYSA-N 0 0 308.337 3.341 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1onc2ccccc21 ZINC001558757808 1189146490 /nfs/dbraw/zinc/14/64/90/1189146490.db2.gz TZFZWZOONQXADE-UHFFFAOYSA-N 0 0 302.717 3.117 20 10 DGCDRN CC[C@H](CCc1ccccc1)NC(=O)c1c(F)ccc(O)c1O ZINC001559014402 1189162629 /nfs/dbraw/zinc/16/26/29/1189162629.db2.gz BXBQALYLOSSMSF-CYBMUJFWSA-N 0 0 317.360 3.378 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)c1ncncc1Cl ZINC001559060427 1189166923 /nfs/dbraw/zinc/16/69/23/1189166923.db2.gz MNFXFHDXQJYIHP-UHFFFAOYSA-N 0 0 302.809 3.367 20 10 DGCDRN Oc1cccc2c1CN(c1ncc(Br)cc1F)C2 ZINC001559263582 1189188814 /nfs/dbraw/zinc/18/88/14/1189188814.db2.gz YRVYIROKKACCEH-UHFFFAOYSA-N 0 0 309.138 3.209 20 10 DGCDRN FC(F)Oc1ccc2c(c1)CCCN2C[C@H]1C[C@@]12CCOC2 ZINC001559605499 1189222787 /nfs/dbraw/zinc/22/27/87/1189222787.db2.gz UJKBZWHBUXVBNO-CXAGYDPISA-N 0 0 309.356 3.467 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CC[C@@H]3[C@H](C2)C3(F)F)c1O ZINC001559665905 1189228086 /nfs/dbraw/zinc/22/80/86/1189228086.db2.gz UGBDQWBEJWXWFC-OLZOCXBDSA-N 0 0 315.747 3.335 20 10 DGCDRN Cc1cc(C)c(CN2CCOc3cc(N(C)C)ccc32)c(C)n1 ZINC001559714042 1189233871 /nfs/dbraw/zinc/23/38/71/1189233871.db2.gz IJIOMWNGGJNYLC-UHFFFAOYSA-N 0 0 311.429 3.472 20 10 DGCDRN FC(F)n1ccnc1CNCc1ccc(N2CCCC2)cc1 ZINC001560294997 1189307341 /nfs/dbraw/zinc/30/73/41/1189307341.db2.gz FWMCXDNAFCUQHJ-UHFFFAOYSA-N 0 0 306.360 3.168 20 10 DGCDRN CCN(CC)c1ccc(CNCc2nccn2CC)cc1F ZINC001560326558 1189312360 /nfs/dbraw/zinc/31/23/60/1189312360.db2.gz CZWLMCOMEUJNHW-UHFFFAOYSA-N 0 0 304.413 3.178 20 10 DGCDRN C[C@@]1(C[NH2+]Cc2cc(F)cc(F)c2[O-])OCCc2ccccc21 ZINC001560570971 1189343009 /nfs/dbraw/zinc/34/30/09/1189343009.db2.gz BITQCRAIWCCOEL-SFHVURJKSA-N 0 0 319.351 3.248 20 10 DGCDRN C[C@@H](c1ccccc1)[N@H+](CCO)Cc1cc(F)c(F)cc1[O-] ZINC001560654582 1189355749 /nfs/dbraw/zinc/35/57/49/1189355749.db2.gz UFXVITJCZPLHLK-LBPRGKRZSA-N 0 0 307.340 3.226 20 10 DGCDRN CC1=CC[N@H+](Cc2cc(Br)cc(F)c2[O-])CC1 ZINC001560684858 1189360448 /nfs/dbraw/zinc/36/04/48/1189360448.db2.gz BVBBNNKKWVDPIB-UHFFFAOYSA-N 0 0 300.171 3.446 20 10 DGCDRN CCCC[C@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)OC ZINC001560737696 1189370442 /nfs/dbraw/zinc/37/04/42/1189370442.db2.gz CUAKGUMDNHRXCR-OZSKJFCKSA-N 0 0 304.434 3.087 20 10 DGCDRN Cc1noc(-c2ccc(NCc3cccc(Cl)c3O)cn2)n1 ZINC001560840850 1189392482 /nfs/dbraw/zinc/39/24/82/1189392482.db2.gz CBLKNJJRTCQFKJ-UHFFFAOYSA-N 0 0 316.748 3.411 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC001560900669 1189402208 /nfs/dbraw/zinc/40/22/08/1189402208.db2.gz UAYUZAMSWXQZQK-CXAGYDPISA-N 0 0 320.339 3.075 20 10 DGCDRN CCOC(=O)[C@]12CCC[C@@H]1C[C@@H]([NH2+]Cc1c([O-])cccc1F)C2 ZINC001561016010 1189421434 /nfs/dbraw/zinc/42/14/34/1189421434.db2.gz MKEBYOSQOANZGM-VFVRVIDISA-N 0 0 321.392 3.133 20 10 DGCDRN COCCn1c2ccccc2nc1NCc1ccc(C)cc1O ZINC001561044503 1189425894 /nfs/dbraw/zinc/42/58/94/1189425894.db2.gz FDHHBXJIZOOTOS-UHFFFAOYSA-N 0 0 311.385 3.309 20 10 DGCDRN CCC(C)(C)CCS(=O)(=O)NCc1cc(Cl)ccc1O ZINC001561725373 1189457910 /nfs/dbraw/zinc/45/79/10/1189457910.db2.gz VMEHFKLDQCPYCS-UHFFFAOYSA-N 0 0 319.854 3.291 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Nc2ccns2)cc1F ZINC001563175668 1189498481 /nfs/dbraw/zinc/49/84/81/1189498481.db2.gz ZLSWIPXUVOVIRM-UHFFFAOYSA-N 0 0 322.409 3.450 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)C(C)(C)OC)cc1 ZINC001563693164 1189527455 /nfs/dbraw/zinc/52/74/55/1189527455.db2.gz HDNPBBZGBBUPRJ-AWEZNQCLSA-N 0 0 321.465 3.146 20 10 DGCDRN CC[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC001563792624 1189534654 /nfs/dbraw/zinc/53/46/54/1189534654.db2.gz SXUYHEZEUQNVNA-WBVHZDCISA-N 0 0 315.461 3.447 20 10 DGCDRN C[C@@H](NC(=O)NCc1ccccc1O)c1ccc2c(c1)CCC2 ZINC001564504643 1189580216 /nfs/dbraw/zinc/58/02/16/1189580216.db2.gz ZZEUDPIAGGNLAR-CYBMUJFWSA-N 0 0 310.397 3.441 20 10 DGCDRN Cc1ccc([C@@H]2C[C@H]2NC(=O)NCc2c(O)cccc2F)cc1 ZINC001564969432 1189611542 /nfs/dbraw/zinc/61/15/42/1189611542.db2.gz VGUMIQDINVCQCZ-XJKSGUPXSA-N 0 0 314.360 3.195 20 10 DGCDRN C[C@H]1CC(CNC(=O)N2Cc3cccc(O)c3C2)C[C@H](C)C1 ZINC001565044303 1189616865 /nfs/dbraw/zinc/61/68/65/1189616865.db2.gz KMKWTGXXNMITHU-CHWSQXEVSA-N 0 0 302.418 3.490 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC[C@H]2C[C@H]2Cc2ccccc2)c1 ZINC001565473622 1189648418 /nfs/dbraw/zinc/64/84/18/1189648418.db2.gz LJXOFRLURLZDRP-IAGOWNOFSA-N 0 0 324.424 3.379 20 10 DGCDRN C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1c(F)cccc1Cl ZINC001566233419 1189755733 /nfs/dbraw/zinc/75/57/33/1189755733.db2.gz CDJBITNDOYHWIO-SECBINFHSA-N 0 0 323.751 3.310 20 10 DGCDRN Cc1cc(C(=O)N(C)Cc2ccccc2O)oc1Br ZINC001566304495 1189760882 /nfs/dbraw/zinc/76/08/82/1189760882.db2.gz IXTHBCRRCJMFGO-UHFFFAOYSA-N 0 0 324.174 3.328 20 10 DGCDRN Cc1nc2cc(NC(=O)c3ccc(N=NC(N)=O)cc3)ccc2[nH]1 ZINC001566328962 1189762444 /nfs/dbraw/zinc/76/24/44/1189762444.db2.gz JVZYODOUTABAHE-UHFFFAOYSA-N 0 0 322.328 3.286 20 10 DGCDRN Cc1cc2cc(C(=O)NCc3ccc(O)cc3O)oc2cc1C ZINC001570462481 1190863933 /nfs/dbraw/zinc/86/39/33/1190863933.db2.gz VJOFVDNCGRKNHE-UHFFFAOYSA-N 0 0 311.337 3.391 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)c1cc2ccccc2[nH]1 ZINC001570531431 1190877538 /nfs/dbraw/zinc/87/75/38/1190877538.db2.gz GJYDSHQGRXESKD-UHFFFAOYSA-N 0 0 317.348 3.352 20 10 DGCDRN Cc1ccc(C[C@@H](C)N(C)C(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001618023277 1193721474 /nfs/dbraw/zinc/72/14/74/1193721474.db2.gz BKYWCYMIXKJUAL-CQSZACIVSA-N 0 0 313.397 3.038 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1cnc2onc(C)c2c1 ZINC001621236614 1193820718 /nfs/dbraw/zinc/82/07/18/1193820718.db2.gz LWHRGRZMHCWYHH-UHFFFAOYSA-N 0 0 309.369 3.493 20 10 DGCDRN CNC(=O)Oc1cccc(NCc2cc(F)c(F)cc2O)c1 ZINC001621354047 1193832013 /nfs/dbraw/zinc/83/20/13/1193832013.db2.gz IURKDWAMRMXTOU-UHFFFAOYSA-N 0 0 308.284 3.001 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]Cc1cc(F)cnc1Cl ZINC001621353162 1193832072 /nfs/dbraw/zinc/83/20/72/1193832072.db2.gz IHLFUFWUTIQJMK-UHFFFAOYSA-N 0 0 302.683 3.148 20 10 DGCDRN CC(C)OC(=O)C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C(C)C ZINC001621413564 1193839612 /nfs/dbraw/zinc/83/96/12/1193839612.db2.gz PIKAWSPYJGZPIU-AWEZNQCLSA-N 0 0 315.360 3.126 20 10 DGCDRN CN1CCc2cc(NCc3cccc(Cl)c3O)ccc2C1=O ZINC001621429272 1193842359 /nfs/dbraw/zinc/84/23/59/1193842359.db2.gz SSDCVKZQPSEDEB-UHFFFAOYSA-N 0 0 316.788 3.286 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ccc(F)c2ccncc12 ZINC001622312250 1193894968 /nfs/dbraw/zinc/89/49/68/1193894968.db2.gz CUJXPZMFVYVHBM-UHFFFAOYSA-N 0 0 310.328 3.352 20 10 DGCDRN O=C(NCc1ccccc1O)c1ccn(Cc2ccccc2)c1 ZINC001622772722 1193911238 /nfs/dbraw/zinc/91/12/38/1193911238.db2.gz DCAJEQMUTBQDGX-UHFFFAOYSA-N 0 0 306.365 3.172 20 10 DGCDRN CCc1ncsc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001623353480 1193929135 /nfs/dbraw/zinc/92/91/35/1193929135.db2.gz UHOAIPNGXCIQTH-UHFFFAOYSA-N 0 0 303.347 3.120 20 10 DGCDRN CN(C)c1ccccc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001624363837 1193995054 /nfs/dbraw/zinc/99/50/54/1193995054.db2.gz PNXIASULOBLBOU-UHFFFAOYSA-N 0 0 311.345 3.167 20 10 DGCDRN Oc1ccccc1CN(Cc1ccccn1)Cc1ccccn1 ZINC000038856313 1194040980 /nfs/dbraw/zinc/04/09/80/1194040980.db2.gz ZHCPSCUNNDGMSS-UHFFFAOYSA-N 0 0 305.381 3.385 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1ccccc1-c1ncco1 ZINC001626512935 1194080688 /nfs/dbraw/zinc/08/06/88/1194080688.db2.gz FDTPAIZAOLEWPK-UHFFFAOYSA-N 0 0 309.325 3.369 20 10 DGCDRN Cc1c2cccc(F)c2oc1C(=O)NCc1ccc(O)cc1O ZINC001626837952 1194097448 /nfs/dbraw/zinc/09/74/48/1194097448.db2.gz LEGWYXXKMIRGLE-UHFFFAOYSA-N 0 0 315.300 3.222 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N[C@@H](c1ccccc1)C1CCC1 ZINC001627374453 1194125100 /nfs/dbraw/zinc/12/51/00/1194125100.db2.gz OIBLOBPHSFJRDV-IBGZPJMESA-N 0 0 311.381 3.298 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1ccnc(Cl)c1F ZINC001628680564 1194191291 /nfs/dbraw/zinc/19/12/91/1194191291.db2.gz MXXCWNTWDKJPCP-UHFFFAOYSA-N 0 0 315.131 3.163 20 10 DGCDRN CC(=O)c1cccc(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC001628681007 1194191847 /nfs/dbraw/zinc/19/18/47/1194191847.db2.gz RUGRXZCVUCMOSA-UHFFFAOYSA-N 0 0 303.745 3.178 20 10 DGCDRN CCC[C@H](C)NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001629298389 1194224767 /nfs/dbraw/zinc/22/47/67/1194224767.db2.gz ONYFSGIKXXLMJR-LSDHHAIUSA-N 0 0 305.466 3.480 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC[C@@H]2CC3CCC2CC3)cc1 ZINC001629377445 1194230702 /nfs/dbraw/zinc/23/07/02/1194230702.db2.gz XJGPPCWEUQNUCL-PREGVCBESA-N 0 0 315.461 3.378 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)COc2cccc(Cl)c2)c1 ZINC001629736175 1194250367 /nfs/dbraw/zinc/25/03/67/1194250367.db2.gz CTARAHNTOXCCOH-UHFFFAOYSA-N 0 0 305.761 3.049 20 10 DGCDRN CCSc1ccc(CC(=O)NCc2ccc(O)cc2O)cc1 ZINC001630302357 1194279313 /nfs/dbraw/zinc/27/93/13/1194279313.db2.gz ZAFFHJQUQQYZJB-UHFFFAOYSA-N 0 0 317.410 3.069 20 10 DGCDRN O=C(NCC1CCc2ccccc2CC1)c1cccc(O)c1O ZINC001630344513 1194281509 /nfs/dbraw/zinc/28/15/09/1194281509.db2.gz QKSIIJZACPSHAQ-UHFFFAOYSA-N 0 0 311.381 3.023 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nc1ccc[n+]([O-])c1 ZINC001630548406 1194290692 /nfs/dbraw/zinc/29/06/92/1194290692.db2.gz OSHJUACJEIXEDT-UHFFFAOYSA-N 0 0 321.380 3.288 20 10 DGCDRN Cc1cc(C(=O)Nc2n[nH]nc2C)c(C)n1-c1cc(C)cc(C)c1 ZINC001630641538 1194295288 /nfs/dbraw/zinc/29/52/88/1194295288.db2.gz DFPIEHRUDLIMOU-UHFFFAOYSA-N 0 0 323.400 3.390 20 10 DGCDRN O=C(NC1(c2ccccc2Cl)CC1)c1cccc(O)c1O ZINC001630783341 1194304244 /nfs/dbraw/zinc/30/42/44/1194304244.db2.gz SFWZWFJFMJVPGQ-UHFFFAOYSA-N 0 0 303.745 3.170 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](C)[C@H](C)[C@@H]1C ZINC001631505573 1194338260 /nfs/dbraw/zinc/33/82/60/1194338260.db2.gz GMVNCQOULUULPM-KKUMJFAQSA-N 0 0 303.450 3.247 20 10 DGCDRN C[C@H](NC(=O)NCc1cc(Cl)ccc1O)c1cccnc1 ZINC001631616726 1194345583 /nfs/dbraw/zinc/34/55/83/1194345583.db2.gz CBPVUIZPFRTATJ-JTQLQIEISA-N 0 0 305.765 3.001 20 10 DGCDRN O=C(NCc1c(O)cccc1F)N[C@H]1CSc2ccccc21 ZINC001632076325 1194370283 /nfs/dbraw/zinc/37/02/83/1194370283.db2.gz HMBPJDJBKVHJEA-ZDUSSCGKSA-N 0 0 318.373 3.178 20 10 DGCDRN Cc1cccc(C)c1OCC(=O)NCc1cc(Cl)ccc1O ZINC001632223736 1194378026 /nfs/dbraw/zinc/37/80/26/1194378026.db2.gz OKKJEJUEKOYMDU-UHFFFAOYSA-N 0 0 319.788 3.358 20 10 DGCDRN CC[S@](=O)c1ccccc1C(=O)N[C@H](C)c1ccccc1O ZINC001632246452 1194378772 /nfs/dbraw/zinc/37/87/72/1194378772.db2.gz JCCZWLQJIXBUMI-IPQOISQHSA-N 0 0 317.410 3.011 20 10 DGCDRN C[C@H](NC(=O)[C@H](C)Oc1ccccc1F)c1ccccc1O ZINC001632250154 1194379130 /nfs/dbraw/zinc/37/91/30/1194379130.db2.gz LNWORMDUIQYZPY-RYUDHWBXSA-N 0 0 303.333 3.176 20 10 DGCDRN C[C@@H](NC(=O)c1ncccc1-c1ccccn1)c1ccccc1O ZINC001632250568 1194379349 /nfs/dbraw/zinc/37/93/49/1194379349.db2.gz WNKFPDSCNOQQSN-CYBMUJFWSA-N 0 0 319.364 3.340 20 10 DGCDRN Cc1cc(C)c2c(c1)N(C(=O)Cc1ccc(O)c(O)c1)CCC2 ZINC001632385651 1194385537 /nfs/dbraw/zinc/38/55/37/1194385537.db2.gz BJFZWPWKKNHPHD-UHFFFAOYSA-N 0 0 311.381 3.237 20 10 DGCDRN O=C(c1cc(-c2ccccc2)no1)N1Cc2cccc(O)c2C1 ZINC001632704131 1194402805 /nfs/dbraw/zinc/40/28/05/1194402805.db2.gz WTXKEOLLGPWJGW-UHFFFAOYSA-N 0 0 306.321 3.203 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cnc3ccc(F)cc3c2)c1 ZINC001633283216 1194429895 /nfs/dbraw/zinc/42/98/95/1194429895.db2.gz XNPBCUUOOQWOAO-UHFFFAOYSA-N 0 0 310.328 3.318 20 10 DGCDRN C[C@H](CC(=O)NCc1cccc(O)c1O)c1ccccc1F ZINC001633509751 1194440473 /nfs/dbraw/zinc/44/04/73/1194440473.db2.gz WMMLHQDTGUHDCC-LLVKDONJSA-N 0 0 303.333 3.047 20 10 DGCDRN C[C@@H](C(=O)NCc1cc(O)ccc1O)c1cn(C)c2ccccc12 ZINC001633599144 1194444865 /nfs/dbraw/zinc/44/48/65/1194444865.db2.gz PXYCICHWQIDHTR-GFCCVEGCSA-N 0 0 324.380 3.009 20 10 DGCDRN COc1ccc(CNC(=O)c2sccc2C(F)F)c(O)c1 ZINC001633927487 1194464600 /nfs/dbraw/zinc/46/46/00/1194464600.db2.gz XAYBNEUVUBCZPZ-UHFFFAOYSA-N 0 0 313.325 3.330 20 10 DGCDRN C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1cc2ccccc2o1 ZINC001634110674 1194474029 /nfs/dbraw/zinc/47/40/29/1194474029.db2.gz DTAXARYIOIKAFM-LLVKDONJSA-N 0 0 311.337 3.264 20 10 DGCDRN CSc1ccc([C@@H](C)NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001634807885 1194516709 /nfs/dbraw/zinc/51/67/09/1194516709.db2.gz JPFFIPLKVFRTGF-LLVKDONJSA-N 0 0 317.410 3.240 20 10 DGCDRN CC(C)c1nc([C@@H]2CCCCN2C(=O)C2=CC(=O)CS2)no1 ZINC001634995594 1194527078 /nfs/dbraw/zinc/52/70/78/1194527078.db2.gz ZJFVMHAMYYGQMG-NSHDSACASA-N 0 0 321.402 3.328 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cccc2cc(O)ccc21 ZINC001635367110 1194547651 /nfs/dbraw/zinc/54/76/51/1194547651.db2.gz ZEIBGCAFQMOGBA-UHFFFAOYSA-N 0 0 311.312 3.320 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(C=O)ccc1F ZINC001635663659 1194564968 /nfs/dbraw/zinc/56/49/68/1194564968.db2.gz VJZGPEKHVNZPFH-UHFFFAOYSA-N 0 0 315.344 3.396 20 10 DGCDRN C[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1O ZINC001635793769 1194572552 /nfs/dbraw/zinc/57/25/52/1194572552.db2.gz HOIHHOKADJKKJO-SECBINFHSA-N 0 0 320.732 3.445 20 10 DGCDRN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)c1ccccc1O ZINC001635799041 1194572635 /nfs/dbraw/zinc/57/26/35/1194572635.db2.gz MZKPDVKCOYNLMF-GFCCVEGCSA-N 0 0 314.341 3.408 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)cc1)c1ccccc1O ZINC001635799043 1194572670 /nfs/dbraw/zinc/57/26/70/1194572670.db2.gz NAYXNUYNBNHAPJ-GFCCVEGCSA-N 0 0 307.353 3.273 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1ccc(-c2ccccc2)[nH]1 ZINC001635847910 1194575925 /nfs/dbraw/zinc/57/59/25/1194575925.db2.gz WIDPPVRWTSLWEX-UHFFFAOYSA-N 0 0 308.337 3.023 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1ccsc1C(F)(F)F ZINC001635959795 1194581255 /nfs/dbraw/zinc/58/12/55/1194581255.db2.gz OJSDJDJDSDAUPX-UHFFFAOYSA-N 0 0 317.288 3.108 20 10 DGCDRN COCCC[C@@H](C)C(=O)NCc1c(O)ccc2ccccc21 ZINC001635965041 1194582032 /nfs/dbraw/zinc/58/20/32/1194582032.db2.gz JUWITYBTBSWZKE-CYBMUJFWSA-N 0 0 301.386 3.224 20 10 DGCDRN CCn1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)c1C ZINC001635964138 1194582168 /nfs/dbraw/zinc/58/21/68/1194582168.db2.gz JTFOKMRNHAVQOV-UHFFFAOYSA-N 0 0 312.413 3.331 20 10 DGCDRN C/C(=C/C(=O)NCc1c(O)ccc2ccccc21)c1cnccn1 ZINC001635968992 1194583167 /nfs/dbraw/zinc/58/31/67/1194583167.db2.gz LGIJKBOIVIWKBN-RAXLEYEMSA-N 0 0 319.364 3.055 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2nccc3occc32)c1 ZINC001636066692 1194590953 /nfs/dbraw/zinc/59/09/53/1194590953.db2.gz RRZNKYLGZAGHDJ-JTQLQIEISA-N 0 0 312.325 3.033 20 10 DGCDRN Cc1cccc2c(CC(=O)N3Cc4cccc(O)c4C3)c[nH]c21 ZINC001636231159 1194601465 /nfs/dbraw/zinc/60/14/65/1194601465.db2.gz TXDBYUFRYXEJFS-UHFFFAOYSA-N 0 0 306.365 3.267 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@@H](C)C[C@@H]1C ZINC001636263934 1194603092 /nfs/dbraw/zinc/60/30/92/1194603092.db2.gz VVNJWKJFQGEOSH-BPUTZDHNSA-N 0 0 317.477 3.432 20 10 DGCDRN C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001636974091 1194643305 /nfs/dbraw/zinc/64/33/05/1194643305.db2.gz QAUZRERZJRHXIV-GXTWGEPZSA-N 0 0 305.418 3.314 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1ccc(Cl)cc1Cl ZINC001637035280 1194647208 /nfs/dbraw/zinc/64/72/08/1194647208.db2.gz QALAKUFNJTXIBU-UHFFFAOYSA-N 0 0 312.152 3.335 20 10 DGCDRN CCc1nc(C(C)C)ccc1C(=O)NCc1cc(O)ccc1O ZINC001637126251 1194651650 /nfs/dbraw/zinc/65/16/50/1194651650.db2.gz PWGJUJUCWBGWJE-UHFFFAOYSA-N 0 0 314.385 3.109 20 10 DGCDRN O=C(CC[C@H]1CCc2ccccc21)NCc1cc(O)ccc1O ZINC001637130035 1194651934 /nfs/dbraw/zinc/65/19/34/1194651934.db2.gz VKNBCFKZCMEALG-CQSZACIVSA-N 0 0 311.381 3.224 20 10 DGCDRN CC(C)Oc1ncccc1C(=O)NCc1cccc(Cl)c1O ZINC001637227306 1194657803 /nfs/dbraw/zinc/65/78/03/1194657803.db2.gz WDXGLXQPKOCGEQ-UHFFFAOYSA-N 0 0 320.776 3.158 20 10 DGCDRN O=C(Cc1cccc(F)c1F)NCc1cccc(Cl)c1O ZINC001637226916 1194657939 /nfs/dbraw/zinc/65/79/39/1194657939.db2.gz FJQKAAHCRXAHDV-UHFFFAOYSA-N 0 0 311.715 3.183 20 10 DGCDRN CCSc1cc(C(=O)NCc2cccc(Cl)c2O)ccn1 ZINC001637227143 1194658011 /nfs/dbraw/zinc/65/80/11/1194658011.db2.gz PDTYLXYLGHRSEO-UHFFFAOYSA-N 0 0 322.817 3.483 20 10 DGCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@H](C)C(F)F)c2C)cc1 ZINC001637657099 1194680719 /nfs/dbraw/zinc/68/07/19/1194680719.db2.gz NOOSAVLWCQBQNK-LLVKDONJSA-N 0 0 322.355 3.486 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CC3CCC2CC3)cc1 ZINC001638804575 1194738203 /nfs/dbraw/zinc/73/82/03/1194738203.db2.gz WBVJASMSFHYNTD-ORHYLEIMSA-N 0 0 314.389 3.405 20 10 DGCDRN COc1cc(NC(=O)C2=CC(=O)CS2)cc(OC)c1Cl ZINC001638796800 1194738619 /nfs/dbraw/zinc/73/86/19/1194738619.db2.gz CNAXHQHAUCSLIZ-UHFFFAOYSA-N 0 0 313.762 3.377 20 10 DGCDRN COc1ccccc1/C(C)=C/C(=O)NCc1c(O)cccc1F ZINC001638864359 1194741583 /nfs/dbraw/zinc/74/15/83/1194741583.db2.gz XTXWHBQFDRICBQ-ZRDIBKRKSA-N 0 0 315.344 3.260 20 10 DGCDRN CCOc1cccc(/C=C/C(=O)NCc2c(O)cccc2F)c1 ZINC001638866659 1194741855 /nfs/dbraw/zinc/74/18/55/1194741855.db2.gz IGPGWKLSVDZZNX-MDZDMXLPSA-N 0 0 315.344 3.260 20 10 DGCDRN C/C(=C/C1CCC(C)CC1)C(=O)NCc1c(O)cccc1O ZINC001639292411 1194758947 /nfs/dbraw/zinc/75/89/47/1194758947.db2.gz ASKMSSKHPTZENX-RAXLEYEMSA-N 0 0 303.402 3.487 20 10 DGCDRN C[C@@H](CC(=O)NCc1ccc(O)cc1O)c1cccc(F)c1 ZINC001639444185 1194766473 /nfs/dbraw/zinc/76/64/73/1194766473.db2.gz ADOQVXJMMXJRFC-NSHDSACASA-N 0 0 303.333 3.047 20 10 DGCDRN C[C@H](CC(=O)NCc1ccc(O)cc1O)c1cccc(F)c1 ZINC001639444184 1194766790 /nfs/dbraw/zinc/76/67/90/1194766790.db2.gz ADOQVXJMMXJRFC-LLVKDONJSA-N 0 0 303.333 3.047 20 10 DGCDRN COCc1sccc1C(=O)NCc1cc(Cl)ccc1O ZINC001639965905 1194789468 /nfs/dbraw/zinc/78/94/68/1194789468.db2.gz SWHLPROQYZPCNC-UHFFFAOYSA-N 0 0 311.790 3.184 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1CC[C@H]1C ZINC001640279438 1194805382 /nfs/dbraw/zinc/80/53/82/1194805382.db2.gz XHVKGJKJTMFMIX-PXAZEXFGSA-N 0 0 310.397 3.435 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1ccc(Cl)nc1F ZINC001640405250 1194811575 /nfs/dbraw/zinc/81/15/75/1194811575.db2.gz OAFJGCVJOQSCLY-UHFFFAOYSA-N 0 0 315.131 3.163 20 10 DGCDRN Cc1ccc(C(=O)Nc2nnc(CCC(C)C)s2)c(O)c1O ZINC001640420241 1194812660 /nfs/dbraw/zinc/81/26/60/1194812660.db2.gz VVRSMOOZLUDXCB-UHFFFAOYSA-N 0 0 321.402 3.099 20 10 DGCDRN Cc1ccc(C(=O)N2CCC[C@H](C3CCCC3)C2)c(O)c1O ZINC001640658622 1194824341 /nfs/dbraw/zinc/82/43/41/1194824341.db2.gz IOAREEJEYFRHCV-AWEZNQCLSA-N 0 0 303.402 3.449 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)COc2cc(C)ccc2Cl)c1 ZINC001640796791 1194828344 /nfs/dbraw/zinc/82/83/44/1194828344.db2.gz PHWIRCWHJXLILJ-UHFFFAOYSA-N 0 0 319.788 3.358 20 10 DGCDRN C/C(=C/c1ccccn1)C(=O)NCc1cc(Cl)ccc1O ZINC001640924628 1194832982 /nfs/dbraw/zinc/83/29/82/1194832982.db2.gz QADKPDIIULCZFZ-FLIBITNWSA-N 0 0 302.761 3.160 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1nc(C2CC2)cs1 ZINC001640924939 1194833018 /nfs/dbraw/zinc/83/30/18/1194833018.db2.gz XGKVHIWXXRPKDZ-UHFFFAOYSA-N 0 0 308.790 3.310 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H]1c1ccc(F)cc1 ZINC001641050220 1194836950 /nfs/dbraw/zinc/83/69/50/1194836950.db2.gz VPGZSMYTRKGXKY-FTPZRKARSA-N 0 0 313.328 3.224 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2c(F)ccc(O)c2O)c(C)c1 ZINC001641146859 1194841409 /nfs/dbraw/zinc/84/14/09/1194841409.db2.gz RSJTVSXDIWSORW-UHFFFAOYSA-N 0 0 303.333 3.092 20 10 DGCDRN O=C(Nc1cccc(N2CCCC2)c1)c1c([O-])c(O)ccc1F ZINC001641173593 1194842937 /nfs/dbraw/zinc/84/29/37/1194842937.db2.gz IFGCWACAAAWTNS-UHFFFAOYSA-N 0 0 316.332 3.089 20 10 DGCDRN COC(=O)c1cc(OCc2ccnc(Cl)c2)ccc1N(C)C ZINC001641368600 1194850457 /nfs/dbraw/zinc/85/04/57/1194850457.db2.gz NKESEMHKSHSZRO-UHFFFAOYSA-N 0 0 320.776 3.167 20 10 DGCDRN COC(=O)c1cc(OC[C@@H]2CC[C@@H]3C[C@@H]3C2)ccc1N(C)C ZINC001641368746 1194850708 /nfs/dbraw/zinc/85/07/08/1194850708.db2.gz TYBISABBDXSEKC-MCIONIFRSA-N 0 0 303.402 3.354 20 10 DGCDRN Cc1cn(-c2ccccc2)nc1C(=O)NCc1cc(C)ccc1O ZINC001641732405 1194868593 /nfs/dbraw/zinc/86/85/93/1194868593.db2.gz AEKROSYQNFILKH-UHFFFAOYSA-N 0 0 321.380 3.125 20 10 DGCDRN CCOc1ccc(N(CC)Cc2cc(=O)[nH]c(C3CC3)n2)cc1 ZINC001642199360 1194893472 /nfs/dbraw/zinc/89/34/72/1194893472.db2.gz DBPXBCILNBQJTR-UHFFFAOYSA-N 0 0 313.401 3.485 20 10 DGCDRN O=C(Nc1nccn1C1CC1)c1cc2cc(O)c(O)cc2s1 ZINC001642545642 1194918818 /nfs/dbraw/zinc/91/88/18/1194918818.db2.gz TWPHWEIEOSJLNK-UHFFFAOYSA-N 0 0 315.354 3.096 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C[C@@H]1CCCC(C)(C)O1 ZINC001642567454 1194919855 /nfs/dbraw/zinc/91/98/55/1194919855.db2.gz PUPOUKKXDPGONH-HNNXBMFYSA-N 0 0 304.434 3.299 20 10 DGCDRN C[C@@H](NC(=O)Cc1cn(C)c2ccccc12)c1ccccc1O ZINC001642824493 1194943807 /nfs/dbraw/zinc/94/38/07/1194943807.db2.gz XTCMMEXWWBIOEM-CYBMUJFWSA-N 0 0 308.381 3.304 20 10 DGCDRN C[C@@H](NC(=O)[C@H](O)C1CCCCCCC1)c1ccccc1O ZINC001642827898 1194944398 /nfs/dbraw/zinc/94/43/98/1194944398.db2.gz VGAZMQFAMXWOIP-CXAGYDPISA-N 0 0 305.418 3.291 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1ccc(Cl)c(Cl)c1 ZINC001643101123 1194987771 /nfs/dbraw/zinc/98/77/71/1194987771.db2.gz WBPVGMDREWMBBZ-UHFFFAOYSA-N 0 0 312.152 3.335 20 10 DGCDRN Cc1ccc(C(=O)N[C@H]2c3ccccc3CC[C@H]2F)c(O)c1O ZINC001643473422 1195027418 /nfs/dbraw/zinc/02/74/18/1195027418.db2.gz QDCNIDPBMDLXLH-CABCVRRESA-N 0 0 315.344 3.162 20 10 DGCDRN CCOC(=O)CN(CCCC1CCC1)Cc1ccccc1O ZINC001643519444 1195031388 /nfs/dbraw/zinc/03/13/88/1195031388.db2.gz STFKCROIXYNTPD-UHFFFAOYSA-N 0 0 305.418 3.338 20 10 DGCDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1O ZINC001643742256 1195051684 /nfs/dbraw/zinc/05/16/84/1195051684.db2.gz WCCIXLNFQYRAAK-VIFPVBQESA-N 0 0 320.732 3.445 20 10 DGCDRN C/C(=C/c1cccc(Cl)c1)C(=O)NCc1cc(O)ccc1O ZINC001643881941 1195060242 /nfs/dbraw/zinc/06/02/42/1195060242.db2.gz LJJGYGUKXPDUHU-XFFZJAGNSA-N 0 0 317.772 3.471 20 10 DGCDRN C/C(=C\C1CCC(C)CC1)C(=O)NCc1cc(O)ccc1O ZINC001643881792 1195060350 /nfs/dbraw/zinc/06/03/50/1195060350.db2.gz FWDKQAPCFMHOMB-UKTHLTGXSA-N 0 0 303.402 3.487 20 10 DGCDRN Cc1ccc(C(=O)NCc2cc(O)ccc2O)c(Cl)c1C ZINC001643881755 1195060403 /nfs/dbraw/zinc/06/04/03/1195060403.db2.gz DFPWIJLHTFRDKZ-UHFFFAOYSA-N 0 0 305.761 3.298 20 10 DGCDRN O=C(CCc1cccc(Cl)c1)NCc1cc(O)ccc1O ZINC001643879427 1195060470 /nfs/dbraw/zinc/06/04/70/1195060470.db2.gz PDGJKTHEYCOPOE-UHFFFAOYSA-N 0 0 305.761 3.000 20 10 DGCDRN COC(=O)c1cnc(SCc2cccnc2Cl)s1 ZINC001643951669 1195066605 /nfs/dbraw/zinc/06/66/05/1195066605.db2.gz DAUBXJRLGSBLFK-UHFFFAOYSA-N 0 0 300.792 3.270 20 10 DGCDRN CSc1cc(C(=O)N2Cc3cccc(O)c3C2)ccc1F ZINC001644088127 1195080283 /nfs/dbraw/zinc/08/02/83/1195080283.db2.gz GLUUYWDGXAUJJN-UHFFFAOYSA-N 0 0 303.358 3.409 20 10 DGCDRN CC(=O)c1cc(C(=O)NCc2cc(Cl)ccc2O)cs1 ZINC001644590844 1195118812 /nfs/dbraw/zinc/11/88/12/1195118812.db2.gz RDVROUKTMIQAPX-UHFFFAOYSA-N 0 0 309.774 3.240 20 10 DGCDRN COCc1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1F ZINC001644590516 1195118965 /nfs/dbraw/zinc/11/89/65/1195118965.db2.gz CTODFJSAJFQDPS-UHFFFAOYSA-N 0 0 323.751 3.261 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1cc2ccc(Cl)cc2[nH]1 ZINC001644707971 1195128238 /nfs/dbraw/zinc/12/82/38/1195128238.db2.gz COCXLMHYNUAZMH-UHFFFAOYSA-N 0 0 316.744 3.163 20 10 DGCDRN FC(F)(F)Oc1ccc2c(c1)CCCN2Cc1cnsn1 ZINC001644823886 1195136741 /nfs/dbraw/zinc/13/67/41/1195136741.db2.gz XCRQKUADZGNNQM-UHFFFAOYSA-N 0 0 315.320 3.390 20 10 DGCDRN CCC1CCC(NCc2ccc(N(C)C)cc2)(C(=O)OC)CC1 ZINC001644867014 1195139491 /nfs/dbraw/zinc/13/94/91/1195139491.db2.gz IMGHCWSGWDWSAF-UHFFFAOYSA-N 0 0 318.461 3.354 20 10 DGCDRN Cc1cc(F)ccc1[C@@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001645006476 1195149792 /nfs/dbraw/zinc/14/97/92/1195149792.db2.gz FHEJJPKRQMCBBK-HXUAIIEXSA-N 0 0 315.344 3.436 20 10 DGCDRN Cc1ccc(CC(=O)NCc2c(O)cccc2F)cc1Cl ZINC001646035268 1195211710 /nfs/dbraw/zinc/21/17/10/1195211710.db2.gz VBMQCIPMFKPSHU-UHFFFAOYSA-N 0 0 307.752 3.352 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCCC[C@@H]1CC1CCC1 ZINC001646257423 1195219143 /nfs/dbraw/zinc/21/91/43/1195219143.db2.gz GNQAZMCBLUTSBP-OAHLLOKOSA-N 0 0 303.402 3.212 20 10 DGCDRN O=C(CCc1ccc(C(F)F)cc1)NCc1c(O)cccc1O ZINC001647289729 1195247234 /nfs/dbraw/zinc/24/72/34/1195247234.db2.gz IQJJBLPOLSCVRG-UHFFFAOYSA-N 0 0 321.323 3.284 20 10 DGCDRN O=C(NCc1c(O)cccc1O)C1(CCc2ccccc2)CC1 ZINC001647289697 1195247668 /nfs/dbraw/zinc/24/76/68/1195247668.db2.gz HLMHEGIWDIAZIH-UHFFFAOYSA-N 0 0 311.381 3.127 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N(Cc2ccoc2)C2CC2)cc1 ZINC001647776136 1195252336 /nfs/dbraw/zinc/25/23/36/1195252336.db2.gz QARGPAUKJQFSLL-UHFFFAOYSA-N 0 0 312.329 3.247 20 10 DGCDRN CO[C@@H](C(=O)NCc1c(O)ccc2ccccc21)C1CCCC1 ZINC001647794868 1195253481 /nfs/dbraw/zinc/25/34/81/1195253481.db2.gz RHDJBXBANPMHLU-GOSISDBHSA-N 0 0 313.397 3.367 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1onc2c1CCCC2 ZINC001647791799 1195253526 /nfs/dbraw/zinc/25/35/26/1195253526.db2.gz UOSZLMLLNFSMPG-UHFFFAOYSA-N 0 0 322.364 3.342 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001647858698 1195260308 /nfs/dbraw/zinc/26/03/08/1195260308.db2.gz GZMSGQAYHGPDFJ-CYBMUJFWSA-N 0 0 317.410 3.397 20 10 DGCDRN CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)C1=CC(=O)CS1 ZINC001648529200 1195307454 /nfs/dbraw/zinc/30/74/54/1195307454.db2.gz HABZJJZSDFXOPJ-UHFFFAOYSA-N 0 0 313.382 3.116 20 10 DGCDRN C[C@H](NC(=O)c1c(F)ccc(O)c1O)c1cccc(F)c1F ZINC001648669819 1195320620 /nfs/dbraw/zinc/32/06/20/1195320620.db2.gz UCUADGAVJBXWFG-ZETCQYMHSA-N 0 0 311.259 3.006 20 10 DGCDRN C[C@H](CCNC(=O)c1c(F)ccc(O)c1O)c1ccccc1 ZINC001648745805 1195327798 /nfs/dbraw/zinc/32/77/98/1195327798.db2.gz VPYBXULCNNIYDY-LLVKDONJSA-N 0 0 303.333 3.161 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCc2ccc3occc3c2)c1 ZINC001649421189 1195335257 /nfs/dbraw/zinc/33/52/57/1195335257.db2.gz CARRGDAILDTZGW-UHFFFAOYSA-N 0 0 310.353 3.446 20 10 DGCDRN Cc1cc(C(=O)Nc2c[nH]nc2Cl)c(C)n1-c1ccccn1 ZINC001650969203 1195400504 /nfs/dbraw/zinc/40/05/04/1195400504.db2.gz VMKUJABNKFIVGX-UHFFFAOYSA-N 0 0 315.764 3.118 20 10 DGCDRN Cc1cc(O)c(CNc2ccc3c(c2)nnn3C)c(Cl)c1 ZINC001651255637 1195432762 /nfs/dbraw/zinc/43/27/62/1195432762.db2.gz ILNDETRHFVVTLZ-UHFFFAOYSA-N 0 0 302.765 3.248 20 10 DGCDRN O=c1[nH]ccc2cc(NCc3cc(F)cc(F)c3O)ccc21 ZINC001651306424 1195441676 /nfs/dbraw/zinc/44/16/76/1195441676.db2.gz UOSGAAOAQLVEKG-UHFFFAOYSA-N 0 0 302.280 3.124 20 10 DGCDRN O=[N+]([O-])c1ccc2c(c1)CN(Cc1ccc(Cl)cc1O)C2 ZINC001651857483 1195517330 /nfs/dbraw/zinc/51/73/30/1195517330.db2.gz ICIUYVWWYRCOKG-UHFFFAOYSA-N 0 0 304.733 3.470 20 10 DGCDRN COC(=O)c1cnc(SCc2cc(Cl)ccn2)s1 ZINC001652002787 1195534419 /nfs/dbraw/zinc/53/44/19/1195534419.db2.gz TXAAKKKXVUPBTL-UHFFFAOYSA-N 0 0 300.792 3.270 20 10 DGCDRN Cc1nc(-c2ccncc2)nc(N2Cc3cccc(O)c3C2)c1C ZINC001652152947 1195554163 /nfs/dbraw/zinc/55/41/63/1195554163.db2.gz NOWSICXSXNREFC-UHFFFAOYSA-N 0 0 318.380 3.381 20 10 DGCDRN OCCN(Cc1ccc(Br)cc1O)c1ccccc1 ZINC001652230334 1195566786 /nfs/dbraw/zinc/56/67/86/1195566786.db2.gz UKPXPNLXOMFWBY-UHFFFAOYSA-N 0 0 322.202 3.154 20 10 DGCDRN CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1cc(F)c(F)cc1[O-] ZINC001652244355 1195568785 /nfs/dbraw/zinc/56/87/85/1195568785.db2.gz JPYHFQZDOMJHNG-HNNXBMFYSA-N 0 0 321.367 3.444 20 10 DGCDRN Oc1cccc(O)c1CNc1cc(Cl)nc([C@@H]2CCCO2)n1 ZINC001652267325 1195573375 /nfs/dbraw/zinc/57/33/75/1195573375.db2.gz NRRVMNHCXCOGTD-LBPRGKRZSA-N 0 0 321.764 3.005 20 10 DGCDRN C[C@]1(C(=O)NCc2c(O)cccc2O)CCCc2ccccc21 ZINC001652625800 1195629220 /nfs/dbraw/zinc/62/92/20/1195629220.db2.gz MLUKAVBHNBHLAR-IBGZPJMESA-N 0 0 311.381 3.008 20 10 DGCDRN CO[C@H](CC(C)C)C(=O)NCc1c(O)ccc2ccccc21 ZINC001652709019 1195639084 /nfs/dbraw/zinc/63/90/84/1195639084.db2.gz SFUZJPPBDICJLY-QGZVFWFLSA-N 0 0 301.386 3.223 20 10 DGCDRN CN(C)c1c(CN2Cc3cccc(O)c3C2)ccc(F)c1F ZINC001653000116 1195678987 /nfs/dbraw/zinc/67/89/87/1195678987.db2.gz JYWPVYOSBNASJT-UHFFFAOYSA-N 0 0 304.340 3.252 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN[C@H](CO)c1cc(F)ccc1F ZINC001653249382 1195703481 /nfs/dbraw/zinc/70/34/81/1195703481.db2.gz MJVQNLWUYANRQI-GOSISDBHSA-N 0 0 320.383 3.162 20 10 DGCDRN CCN(CC)c1ccc(CNS(=O)(=O)C2(C(C)C)CC2)cc1 ZINC001653680907 1195743783 /nfs/dbraw/zinc/74/37/83/1195743783.db2.gz PMVHKTDPXJQAEL-UHFFFAOYSA-N 0 0 324.490 3.141 20 10 DGCDRN CCN(C[C@@H]1CC[C@@H](C2CC2)O1)c1ccc(OC)c(OC)c1 ZINC001653749374 1195748278 /nfs/dbraw/zinc/74/82/78/1195748278.db2.gz LZXPKRLTQKXXLE-HOTGVXAUSA-N 0 0 305.418 3.488 20 10 DGCDRN Cc1[nH]nc(NC(=O)c2cccc(O)c2O)c1-c1cccc(C)c1 ZINC001654080727 1195773063 /nfs/dbraw/zinc/77/30/63/1195773063.db2.gz PWTFFMDXFJKBAO-UHFFFAOYSA-N 0 0 323.352 3.357 20 10 DGCDRN Oc1ccc(CCNc2cc(Cl)nc(C3CCC3)n2)cc1O ZINC001655216803 1195892719 /nfs/dbraw/zinc/89/27/19/1195892719.db2.gz DBHGWGUQAZCZEH-UHFFFAOYSA-N 0 0 319.792 3.463 20 10 DGCDRN CN(C)c1ccc(CC[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC001655482276 1195922095 /nfs/dbraw/zinc/92/20/95/1195922095.db2.gz HPUKUYYTMLXKMW-UHFFFAOYSA-N 0 0 306.356 3.069 20 10 DGCDRN COc1cc(NCc2c(O)ccc(Cl)c2F)cnc1OC ZINC001656647499 1196057400 /nfs/dbraw/zinc/05/74/00/1196057400.db2.gz IUXHNPKKMBPQAK-UHFFFAOYSA-N 0 0 312.728 3.209 20 10 DGCDRN COCC[C@H]([NH2+]Cc1cc(F)c(F)cc1[O-])c1ccc(C)o1 ZINC001657545762 1196153727 /nfs/dbraw/zinc/15/37/27/1196153727.db2.gz GLFCMYUBOFYSMB-AWEZNQCLSA-N 0 0 311.328 3.439 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@@H](c1ccccc1)N(C)C ZINC001657843721 1196183870 /nfs/dbraw/zinc/18/38/70/1196183870.db2.gz KMODOHWILSFSAY-SJCJKPOMSA-N 0 0 320.383 3.451 20 10 DGCDRN Cc1cc(F)c(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])c(F)c1 ZINC001658055244 1196207471 /nfs/dbraw/zinc/20/74/71/1196207471.db2.gz BYXYRQCQWWLBFQ-UHFFFAOYSA-N 0 0 308.284 3.177 20 10 DGCDRN CCc1cccc(C[N@@H+]2CCN(C)C[C@H]2c2ccccc2)c1O ZINC001658202091 1196225064 /nfs/dbraw/zinc/22/50/64/1196225064.db2.gz LOBWAQWDOBGWKG-IBGZPJMESA-N 0 0 310.441 3.443 20 10 DGCDRN CCOc1cc(F)ccc1NC(=O)NCc1c(O)cccc1F ZINC001658357869 1196246446 /nfs/dbraw/zinc/24/64/46/1196246446.db2.gz VIOLQENSJDUOTQ-UHFFFAOYSA-N 0 0 322.311 3.391 20 10 DGCDRN CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(F)cc(F)c2[O-])C12CCC2 ZINC001658434745 1196255914 /nfs/dbraw/zinc/25/59/14/1196255914.db2.gz OBJFKXKPLGMNOB-LSDHHAIUSA-N 0 0 311.372 3.450 20 10 DGCDRN COc1cc(C)c(CN(C)c2ccc(OC)c(OC)c2)c(O)c1 ZINC001658440366 1196256384 /nfs/dbraw/zinc/25/63/84/1196256384.db2.gz FEWVXRUEQPLWJI-UHFFFAOYSA-N 0 0 317.385 3.363 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC001658592305 1196277971 /nfs/dbraw/zinc/27/79/71/1196277971.db2.gz ZVGAOUPXGSUJEG-DYVFJYSZSA-N 0 0 312.404 3.306 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC[C@@H](O)C1CCCC1 ZINC001658757572 1196296764 /nfs/dbraw/zinc/29/67/64/1196296764.db2.gz WMLKCZIJGPAUJF-CQSZACIVSA-N 0 0 301.789 3.216 20 10 DGCDRN CCc1[nH]c(CN(C)c2ccc(OC)c(F)c2)cc1C(=O)OC ZINC001658807663 1196303830 /nfs/dbraw/zinc/30/38/30/1196303830.db2.gz WNFPDSWYQUSFEV-UHFFFAOYSA-N 0 0 320.364 3.148 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC001658960140 1196324391 /nfs/dbraw/zinc/32/43/91/1196324391.db2.gz PCCOFMZFECAWHO-CYBMUJFWSA-N 0 0 311.372 3.309 20 10 DGCDRN COc1cc(C)cc(CNc2ccc3ccc(=O)n(C)c3c2)c1O ZINC001659019067 1196334001 /nfs/dbraw/zinc/33/40/01/1196334001.db2.gz YSIBLVCRBSQTFL-UHFFFAOYSA-N 0 0 324.380 3.173 20 10 DGCDRN COC[C@@H]([NH2+]Cc1cc(F)c(F)cc1[O-])c1ccc(F)cc1 ZINC001659082332 1196341887 /nfs/dbraw/zinc/34/18/87/1196341887.db2.gz VUPGYBKKSUWQID-OAHLLOKOSA-N 0 0 311.303 3.287 20 10 DGCDRN CC(C)[C@@H](CO)[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])C(C)C ZINC001659259588 1196364595 /nfs/dbraw/zinc/36/45/95/1196364595.db2.gz UOBOUFPLBWRVOR-IUODEOHRSA-N 0 0 301.377 3.049 20 10 DGCDRN COc1cc(C)c(CNc2cccc3c2OCC[C@@H]3O)c(O)c1 ZINC001659358107 1196374914 /nfs/dbraw/zinc/37/49/14/1196374914.db2.gz LVWYERNXMIYREN-INIZCTEOSA-N 0 0 315.369 3.137 20 10 DGCDRN C[C@@H](O)[C@H]([NH2+]Cc1cc(F)c(F)cc1[O-])c1ccccc1F ZINC001659585946 1196397964 /nfs/dbraw/zinc/39/79/64/1196397964.db2.gz FYMDOMFYAUCWPE-ABKXIKBNSA-N 0 0 311.303 3.021 20 10 DGCDRN CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2[O-])C1 ZINC001659855321 1196422387 /nfs/dbraw/zinc/42/23/87/1196422387.db2.gz HRZNYQPSWFBVAU-BJHJDKERSA-N 0 0 311.809 3.256 20 10 DGCDRN COC1CN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC001659974063 1196433724 /nfs/dbraw/zinc/43/37/24/1196433724.db2.gz WSSZEONTGPSVQR-UHFFFAOYSA-N 0 0 308.425 3.080 20 10 DGCDRN CN(C)c1ccc(/C=C/CNc2ccccc2-n2nccn2)cc1 ZINC001660026430 1196438705 /nfs/dbraw/zinc/43/87/05/1196438705.db2.gz ZQTXUVFXBZMACT-AATRIKPKSA-N 0 0 319.412 3.459 20 10 DGCDRN CN(C)c1cc(F)c(CNCc2nc3ccccc3o2)cc1F ZINC001660043411 1196439873 /nfs/dbraw/zinc/43/98/73/1196439873.db2.gz PINBSJWISPBDDP-UHFFFAOYSA-N 0 0 317.339 3.462 20 10 DGCDRN C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001661421080 1196604024 /nfs/dbraw/zinc/60/40/24/1196604024.db2.gz SQWYDWLDAJYQDO-BDJLRTHQSA-N 0 0 323.795 3.439 20 10 DGCDRN CC(C)[C@@H](O)C(C)(C)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001662129667 1196684368 /nfs/dbraw/zinc/68/43/68/1196684368.db2.gz XJNQYNKXGYNMIH-CQSZACIVSA-N 0 0 303.805 3.317 20 10 DGCDRN COc1ccc(N2CCN(C(=O)O[C@@H](C)CC(C)C)CC2)cc1 ZINC001662306736 1196705216 /nfs/dbraw/zinc/70/52/16/1196705216.db2.gz RGYUXLSZGSNZIG-HNNXBMFYSA-N 0 0 320.433 3.388 20 10 DGCDRN COc1cccc(CNC(=O)Nc2cncc(C(F)F)c2)c1O ZINC001664216234 1196981026 /nfs/dbraw/zinc/98/10/26/1196981026.db2.gz IWTDFRGGZYASJR-UHFFFAOYSA-N 0 0 323.299 3.055 20 10 DGCDRN C[C@](O)(CC[NH2+]Cc1cc(F)c(F)cc1[O-])c1ccccc1 ZINC001664410429 1196995800 /nfs/dbraw/zinc/99/58/00/1196995800.db2.gz ZGVPRRCOVJKVBZ-KRWDZBQOSA-N 0 0 307.340 3.058 20 10 DGCDRN O=C(Nc1cnc(F)c(Cl)c1)N1Cc2cccc(O)c2C1 ZINC001664869803 1197073889 /nfs/dbraw/zinc/07/38/89/1197073889.db2.gz YXZSQSHJLWNFFN-UHFFFAOYSA-N 0 0 307.712 3.127 20 10 DGCDRN Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2ccc(Cl)cc2[O-])cn1 ZINC001665269857 1197116779 /nfs/dbraw/zinc/11/67/79/1197116779.db2.gz NJFVNISZZQXTMO-CZUORRHYSA-N 0 0 319.836 3.280 20 10 DGCDRN Oc1cccc2c1CN(Cc1conc1Cc1ccccc1)C2 ZINC001665506219 1197145710 /nfs/dbraw/zinc/14/57/10/1197145710.db2.gz IHVIEKQZHNNXQQ-UHFFFAOYSA-N 0 0 306.365 3.487 20 10 DGCDRN O=C(NCCc1c[nH]c2ccccc12)N1Cc2cccc(O)c2C1 ZINC001665620948 1197159648 /nfs/dbraw/zinc/15/96/48/1197159648.db2.gz XJSPUVFWBIUTSJ-UHFFFAOYSA-N 0 0 321.380 3.141 20 10 DGCDRN O=C(NCCc1ccccc1Cl)N1Cc2cccc(O)c2C1 ZINC001667614039 1197368214 /nfs/dbraw/zinc/36/82/14/1197368214.db2.gz HNQDUZLMJOPGTQ-UHFFFAOYSA-N 0 0 316.788 3.314 20 10 DGCDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1c(O)cccc1F ZINC001667717916 1197382506 /nfs/dbraw/zinc/38/25/06/1197382506.db2.gz OKHJXKPRCKZQLI-UHFFFAOYSA-N 0 0 319.292 3.070 20 10 DGCDRN CCOc1cccc(NC(=O)NCc2cc(C)ccc2O)c1 ZINC001668104278 1197400292 /nfs/dbraw/zinc/40/02/92/1197400292.db2.gz XTXKXNTVKNGXBA-UHFFFAOYSA-N 0 0 300.358 3.421 20 10 DGCDRN COc1cc(F)c(NC(=O)N2Cc3cccc(O)c3C2)cc1F ZINC001669404934 1197453420 /nfs/dbraw/zinc/45/34/20/1197453420.db2.gz IWKIMFMYTGSRIQ-UHFFFAOYSA-N 0 0 320.295 3.227 20 10 DGCDRN COc1nccc2cc(NC(=O)NCc3ccccc3O)ccc21 ZINC001670150622 1197522642 /nfs/dbraw/zinc/52/26/42/1197522642.db2.gz LZUPJALETFBOSC-UHFFFAOYSA-N 0 0 323.352 3.271 20 10 DGCDRN O=C(NCc1c(O)cccc1F)Nc1cncc(C(F)F)c1 ZINC001672568379 1197617874 /nfs/dbraw/zinc/61/78/74/1197617874.db2.gz IPFVJUDVMHCADH-UHFFFAOYSA-N 0 0 311.263 3.186 20 10 DGCDRN Cc1cc(CNC(=O)Nc2ccnnc2)c(C)n1-c1ccccc1 ZINC001672621055 1197618998 /nfs/dbraw/zinc/61/89/98/1197618998.db2.gz XQJNRKHUGFELFX-UHFFFAOYSA-N 0 0 321.384 3.206 20 10 DGCDRN Cc1ccc(CCNC(=O)NCc2cc(C)ccc2O)c(C)c1 ZINC001677512885 1198544485 /nfs/dbraw/zinc/54/44/85/1198544485.db2.gz KKINEPAERFMXHX-UHFFFAOYSA-N 0 0 312.413 3.359 20 10 DGCDRN C[C@@H]1C[C@H]1CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001677786809 1198587904 /nfs/dbraw/zinc/58/79/04/1198587904.db2.gz BEPZHDTZSXQQQI-ZBFHGGJFSA-N 0 0 301.434 3.084 20 10 DGCDRN CC[C@H](C)Oc1cccc(NC(=O)NCc2ccccc2O)n1 ZINC001680031748 1198850204 /nfs/dbraw/zinc/85/02/04/1198850204.db2.gz KORWPXJQHPTJFF-LBPRGKRZSA-N 0 0 315.373 3.286 20 10 DGCDRN Cc1csc(CNC(=O)NCc2cccc(Cl)c2O)c1 ZINC001682658721 1199180739 /nfs/dbraw/zinc/18/07/39/1199180739.db2.gz CPIYQMCYWVWSPA-UHFFFAOYSA-N 0 0 310.806 3.415 20 10 DGCDRN O=C(NCc1ccccc1O)NCC(F)(F)c1ccc(F)cc1 ZINC001683019717 1199227161 /nfs/dbraw/zinc/22/71/61/1199227161.db2.gz QQHCRLFVGFXFLT-UHFFFAOYSA-N 0 0 324.302 3.123 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC1CCC1 ZINC001683185462 1199244368 /nfs/dbraw/zinc/24/43/68/1199244368.db2.gz IZHSTOXZKNWRBE-AWEZNQCLSA-N 0 0 303.450 3.091 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2c(C)n[nH]c2C)cc1 ZINC000103271260 1199488102 /nfs/dbraw/zinc/48/81/02/1199488102.db2.gz XIYOVBLLXZFTHS-UHFFFAOYSA-N 0 0 322.412 3.364 20 10 DGCDRN CCCCN(O)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001686826348 1199592492 /nfs/dbraw/zinc/59/24/92/1199592492.db2.gz GHCVMDZUPLHJMY-CQSZACIVSA-N 0 0 307.438 3.193 20 10 DGCDRN Cc1nnc(N(C)CC(C)C)n1Cc1ccc(N(C)C)cc1C ZINC001693003280 1201061050 /nfs/dbraw/zinc/06/10/50/1201061050.db2.gz IVVGAUHQMIDHPK-UHFFFAOYSA-N 0 0 315.465 3.101 20 10 DGCDRN CCN(C)c1ccc(C[N@@H+]2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC001589715615 950378733 /nfs/dbraw/zinc/37/87/33/950378733.db2.gz XAAWOHDTJRYFDU-KRWDZBQOSA-N 0 0 304.434 3.362 20 10 DGCDRN C[C@H]1C[C@H]([NH2+]C2CCC(C(=O)[O-])CC2)c2c1c(F)ccc2O ZINC001589291461 953604497 /nfs/dbraw/zinc/60/44/97/953604497.db2.gz IVFRCODADDSPPC-YUVKLTJASA-N 0 0 307.365 3.313 20 10 DGCDRN O=C([O-])c1cccc(C[NH2+]Cc2ccc(N3CCCC3)cc2)c1 ZINC001332420133 961565178 /nfs/dbraw/zinc/56/51/78/961565178.db2.gz KMYBNORFEPCVAK-UHFFFAOYSA-N 0 0 310.397 3.275 20 10 DGCDRN C[C@@](C[NH2+]Cc1cc(Cl)ccc1O)(C(=O)[O-])c1ccccc1 ZINC001592710869 979198855 /nfs/dbraw/zinc/19/88/55/979198855.db2.gz YFFYIQUFZVZSTP-KRWDZBQOSA-N 0 0 319.788 3.178 20 10 DGCDRN C[C@@H](COc1ccccc1)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001592782809 979420152 /nfs/dbraw/zinc/42/01/52/979420152.db2.gz MBPSHKDUXAPRPV-STQMWFEESA-N 0 0 315.369 3.209 20 10 DGCDRN C[C@@H](Cc1cccs1)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001592902827 979829486 /nfs/dbraw/zinc/82/94/86/979829486.db2.gz ORKYNMDQICQBDR-QWRGUYRKSA-N 0 0 305.399 3.434 20 10 DGCDRN CC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C1(C(=O)[O-])CCC1 ZINC001595300014 980432859 /nfs/dbraw/zinc/43/28/59/980432859.db2.gz MNZKCBJLSGVERQ-HNNXBMFYSA-N 0 0 308.397 3.015 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CC[C@H](CC(=O)[O-])C1)c1ccc(N(C)C)cc1 ZINC001595317078 980488623 /nfs/dbraw/zinc/48/86/23/980488623.db2.gz MNAGLQXAOIELEE-LXZKKBNFSA-N 0 0 304.434 3.437 20 10 DGCDRN CCCC[N@H+](Cc1ccccc1O)[C@@H](C(=O)[O-])C1(OC)CCC1 ZINC001595747668 982414586 /nfs/dbraw/zinc/41/45/86/982414586.db2.gz IKHOXPXDCFFCLI-INIZCTEOSA-N 0 0 321.417 3.017 20 10 DGCDRN C=C/C=C/CC[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001588721640 983972973 /nfs/dbraw/zinc/97/29/73/983972973.db2.gz QXDRNXFRQJIIBW-SNAWJCMRSA-N 0 0 302.349 3.238 20 10 DGCDRN C[C@@H]([NH2+]CCC[C@@H]1CCCCO1)c1cc(C(=O)[O-])ccc1O ZINC001593264427 994566190 /nfs/dbraw/zinc/56/61/90/994566190.db2.gz KIHFAABAYPMXHY-OCCSQVGLSA-N 0 0 307.390 3.090 20 10 DGCDRN C[C@@H]([NH2+]CCc1ccccc1F)c1cc(C(=O)[O-])ccc1O ZINC001593273702 994620708 /nfs/dbraw/zinc/62/07/08/994620708.db2.gz GDRJMHAZSNYMTB-LLVKDONJSA-N 0 0 303.333 3.123 20 10 DGCDRN Oc1cc(CN2CCCC[C@H](F)C2)c(O)cc1Br ZINC001236769563 1099775260 /nfs/dbraw/zinc/77/52/60/1099775260.db2.gz WAZIGOFOFPLKOE-JTQLQIEISA-N 0 0 318.186 3.184 20 10 DGCDRN CC(C)CCOC(=O)NCc1ccc(Br)cc1O ZINC001194900969 1101033159 /nfs/dbraw/zinc/03/31/59/1101033159.db2.gz QPKIGHSTEZOKDH-UHFFFAOYSA-N 0 0 316.195 3.427 20 10 DGCDRN COC(OC)c1cc(Cl)cnc1NCc1ccc(O)c(O)c1 ZINC001169990104 1081792202 /nfs/dbraw/zinc/79/22/02/1081792202.db2.gz APPGTFPMRYOXNQ-UHFFFAOYSA-N 0 0 324.764 3.050 20 10 DGCDRN Cc1nc(-c2cccnc2)nc(NCc2ccc(O)c(O)c2)c1C ZINC001169993438 1081801544 /nfs/dbraw/zinc/80/15/44/1081801544.db2.gz WGESOBHFOPIFIS-UHFFFAOYSA-N 0 0 322.368 3.179 20 10 DGCDRN Oc1ccc(CNc2ccc(OCC3CCC3)nc2)cc1O ZINC001169995263 1081818469 /nfs/dbraw/zinc/81/84/69/1081818469.db2.gz WPIMRXGKVIVRKV-UHFFFAOYSA-N 0 0 300.358 3.284 20 10 DGCDRN CNC(=O)c1ccc2cc(NCc3ccc(O)c(O)c3)ccc2c1 ZINC001169995289 1081819161 /nfs/dbraw/zinc/81/91/61/1081819161.db2.gz XRGUCARDBVPAMC-UHFFFAOYSA-N 0 0 322.364 3.223 20 10 DGCDRN Cc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)c1ccccc1O ZINC001648889726 1081954467 /nfs/dbraw/zinc/95/44/67/1081954467.db2.gz JGKRKXBCVYSBSY-CQSZACIVSA-N 0 0 321.380 3.377 20 10 DGCDRN Nc1ccc(N(CCO)c2cc(Cl)c(O)c(Cl)c2)cc1 ZINC001210926482 1082047060 /nfs/dbraw/zinc/04/70/60/1082047060.db2.gz BFJWEQPMCQZKGX-UHFFFAOYSA-N 0 0 313.184 3.412 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCc1cccc(Cl)c1 ZINC000588403679 1082147508 /nfs/dbraw/zinc/14/75/08/1082147508.db2.gz UYLXYLUZLNAYGJ-ALCCZGGFSA-N 0 0 303.745 3.081 20 10 DGCDRN C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(F)cc1F ZINC000588403768 1082147535 /nfs/dbraw/zinc/14/75/35/1082147535.db2.gz OQHGNBZXPCRYLO-NXSJDDFASA-N 0 0 319.307 3.267 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCc2c1cccc2Cl ZINC000588404776 1082149385 /nfs/dbraw/zinc/14/93/85/1082149385.db2.gz HEZCNPCCYOETSU-ALCCZGGFSA-N 0 0 315.756 3.354 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1nc(C2CC2)cs1 ZINC000588405772 1082151824 /nfs/dbraw/zinc/15/18/24/1082151824.db2.gz USKYFFKSSFKAQJ-KXFIGUGUSA-N 0 0 302.355 3.084 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc2scnc2c1 ZINC000588406211 1082152524 /nfs/dbraw/zinc/15/25/24/1082152524.db2.gz NIPRWMLUROEYOP-KXFIGUGUSA-N 0 0 312.350 3.359 20 10 DGCDRN Cc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)cnc1Cl ZINC000588406814 1082153073 /nfs/dbraw/zinc/15/30/73/1082153073.db2.gz QQPONGDWDQUZJO-HYXAFXHYSA-N 0 0 304.733 3.107 20 10 DGCDRN C[C@@H](c1cccc(O)c1)N(C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588407482 1082160691 /nfs/dbraw/zinc/16/06/91/1082160691.db2.gz WLSBKIGIRAUXJH-UPZNUWHASA-N 0 0 313.353 3.036 20 10 DGCDRN CC[C@H](Cc1ccccc1)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588408260 1082162969 /nfs/dbraw/zinc/16/29/69/1082162969.db2.gz YYYISXAENWROLV-HGPCXVNDSA-N 0 0 311.381 3.249 20 10 DGCDRN Oc1cc(Cl)ccc1CN1CC2(C1)CC(F)(F)CS2 ZINC001140466139 1082278884 /nfs/dbraw/zinc/27/88/84/1082278884.db2.gz YNADLPMEWYULLE-UHFFFAOYSA-N 0 0 305.777 3.372 20 10 DGCDRN O=C(C1CCN(Cc2ccc(Cl)cc2O)CC1)C(F)(F)F ZINC001140466451 1082287212 /nfs/dbraw/zinc/28/72/12/1082287212.db2.gz GDNNFZIKYHFVTQ-UHFFFAOYSA-N 0 0 321.726 3.389 20 10 DGCDRN C[C@@H]1C[C@H](c2cccnc2)N(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000588449296 1082322310 /nfs/dbraw/zinc/32/23/10/1082322310.db2.gz UEYZXSBWAZRAHW-TZDXQJPWSA-N 0 0 324.380 3.116 20 10 DGCDRN Cc1ncsc1/C=C\C(=O)N1C[C@@H](C)Oc2cc(F)ccc21 ZINC000588519128 1082540201 /nfs/dbraw/zinc/54/02/01/1082540201.db2.gz NACPUFIZDGNMRQ-WWQCOOJYSA-N 0 0 318.373 3.418 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc(Cl)cc1F ZINC000588529001 1082565428 /nfs/dbraw/zinc/56/54/28/1082565428.db2.gz AQSPAMDHRVOYHH-KXFIGUGUSA-N 0 0 321.735 3.220 20 10 DGCDRN Cc1cc(C)c2c(c1)N(C(=O)/C=C\c1ccc(C)nc1)CCO2 ZINC001130699704 1082607778 /nfs/dbraw/zinc/60/77/78/1082607778.db2.gz JQPVQCZFESLLQO-SREVYHEPSA-N 0 0 308.381 3.446 20 10 DGCDRN Cc1cc(CNC(=O)c2cnc(C)cn2)c(C)n1-c1ccccc1 ZINC001132264642 1082861898 /nfs/dbraw/zinc/86/18/98/1082861898.db2.gz YWUWNWSUADMJJT-UHFFFAOYSA-N 0 0 320.396 3.123 20 10 DGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)C[C@H]2CCOC2)cc1 ZINC001180922747 1083368817 /nfs/dbraw/zinc/36/88/17/1083368817.db2.gz WZVOGOSXHKSYRL-MRXNPFEDSA-N 0 0 310.397 3.229 20 10 DGCDRN CC(=O)C[C@@H](C)C(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001181259377 1083436956 /nfs/dbraw/zinc/43/69/56/1083436956.db2.gz YJGWHJFNJKIUBI-PXAZEXFGSA-N 0 0 317.429 3.364 20 10 DGCDRN C/C=C\C[C@H](NCc1cc(Cl)c(C)cc1O)C(=O)OCC ZINC001181457989 1083469852 /nfs/dbraw/zinc/46/98/52/1083469852.db2.gz SNRLGQZPEZWUBW-SDQPKGBYSA-N 0 0 311.809 3.342 20 10 DGCDRN CO[C@H](C)CC(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001181551828 1083489574 /nfs/dbraw/zinc/48/95/74/1083489574.db2.gz BPZKFVZLSPYEPT-FISYYPPISA-N 0 0 313.361 3.030 20 10 DGCDRN CN(C)CC[N@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1[O-] ZINC001181556451 1083490844 /nfs/dbraw/zinc/49/08/44/1083490844.db2.gz XASUQCZIRSPYCI-UHFFFAOYSA-N 0 0 320.383 3.234 20 10 DGCDRN C[C@H]1C[C@H](NC(=O)CCc2ccc(O)c(O)c2)c2ccccc21 ZINC001182155838 1083634859 /nfs/dbraw/zinc/63/48/59/1083634859.db2.gz RWGAQCHOSMWSKS-LRDDRELGSA-N 0 0 311.381 3.395 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCOCC1CCCC1 ZINC001182204267 1083643641 /nfs/dbraw/zinc/64/36/41/1083643641.db2.gz OWFHNKKSWWUEGT-UHFFFAOYSA-N 0 0 301.789 3.481 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)COCC1CC1 ZINC001182481495 1083740183 /nfs/dbraw/zinc/74/01/83/1083740183.db2.gz BICWXBXEWBIBGY-SFHVURJKSA-N 0 0 317.429 3.175 20 10 DGCDRN O=C(NCc1ccccc1O)[C@@H]1CCc2c3ccccc3[nH]c2C1 ZINC001182716075 1083786274 /nfs/dbraw/zinc/78/62/74/1083786274.db2.gz NXPHKWKIMQUDCR-CYBMUJFWSA-N 0 0 320.392 3.295 20 10 DGCDRN Cc1cc(C)c(CNC(=O)C2(c3ccc(O)cc3)CC2)c(O)c1 ZINC001183343960 1083931975 /nfs/dbraw/zinc/93/19/75/1083931975.db2.gz RQEZZBBPZHDNHW-UHFFFAOYSA-N 0 0 311.381 3.063 20 10 DGCDRN C[C@@]1(c2cccc(NCc3cc(F)ccc3O)c2)COC(=O)N1 ZINC001183549337 1083969052 /nfs/dbraw/zinc/96/90/52/1083969052.db2.gz BBCKBKHUZWFTPW-KRWDZBQOSA-N 0 0 316.332 3.098 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@@H]1O ZINC001203574486 1084000563 /nfs/dbraw/zinc/00/05/63/1084000563.db2.gz YEYMGQDYJYDBCN-RNCFNFMXSA-N 0 0 304.217 3.292 20 10 DGCDRN O=C(C1=Cc2ccccc2C1)N1CCCc2cc(O)c(O)cc2C1 ZINC001183976371 1084078807 /nfs/dbraw/zinc/07/88/07/1084078807.db2.gz LQMUNLAGNBHAFA-UHFFFAOYSA-N 0 0 321.376 3.012 20 10 DGCDRN C[C@@]12CSC[C@@H]1C[N@H+](Cc1c([O-])ccc(Cl)c1F)C2 ZINC001184189322 1084114663 /nfs/dbraw/zinc/11/46/63/1084114663.db2.gz UWGWORYIUNQYBF-LKFCYVNXSA-N 0 0 301.814 3.370 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@]1(C)CCOC1 ZINC001184418684 1084179664 /nfs/dbraw/zinc/17/96/64/1084179664.db2.gz MRSXALXXLYWDEY-APWZRJJASA-N 0 0 317.429 3.175 20 10 DGCDRN Cc1cccc(Cl)c1NC(=O)NCc1cccc(O)c1O ZINC001184560711 1084211828 /nfs/dbraw/zinc/21/18/28/1084211828.db2.gz FHXNSOJRLKLSIQ-UHFFFAOYSA-N 0 0 306.749 3.381 20 10 DGCDRN CC(=O)c1c(C)c(C)[nH]c1C(=O)NCc1c(C)cc(C)cc1O ZINC001184760781 1084255130 /nfs/dbraw/zinc/25/51/30/1084255130.db2.gz HPEGYAVVIUPRQB-UHFFFAOYSA-N 0 0 314.385 3.087 20 10 DGCDRN CC1(C)CCC(CC(=O)NCC(=O)c2ccc(O)c(O)c2)CC1 ZINC001185980692 1084563770 /nfs/dbraw/zinc/56/37/70/1084563770.db2.gz MVWAVYHXEJRXHR-UHFFFAOYSA-N 0 0 319.401 3.003 20 10 DGCDRN CC1(C)CCC(CC(=O)NCCc2cc(O)c(O)cc2O)CC1 ZINC001185981001 1084566051 /nfs/dbraw/zinc/56/60/51/1084566051.db2.gz YFJKPCXIQPNLFF-UHFFFAOYSA-N 0 0 321.417 3.069 20 10 DGCDRN COc1ccc(Nc2nc(-c3ccncc3)cs2)c(CO)c1 ZINC001211733927 1084624879 /nfs/dbraw/zinc/62/48/79/1084624879.db2.gz URHOXEOVMIHREX-UHFFFAOYSA-N 0 0 313.382 3.450 20 10 DGCDRN CCn1cc(NC(=O)c2cc(-n3c(C)ccc3C)ccc2O)cn1 ZINC001186829884 1084711030 /nfs/dbraw/zinc/71/10/30/1084711030.db2.gz PUZBETHXECGICX-UHFFFAOYSA-N 0 0 324.384 3.268 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(O)c(C(=O)Nc2c(C)ncn2C)c1 ZINC001186830435 1084711444 /nfs/dbraw/zinc/71/14/44/1084711444.db2.gz RNDGDXVQTYIRIE-UHFFFAOYSA-N 0 0 324.384 3.094 20 10 DGCDRN Oc1cc(O)c(CCNc2cccc3[nH]cc(F)c32)cc1O ZINC001168013543 1086253677 /nfs/dbraw/zinc/25/36/77/1086253677.db2.gz HBSVQZRKQFMAPT-UHFFFAOYSA-N 0 0 302.305 3.078 20 10 DGCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c3cccnc3c2[O-])CCO1 ZINC001168079081 1086746615 /nfs/dbraw/zinc/74/66/15/1086746615.db2.gz OLAVPZSHPSEZTN-PWSUYJOCSA-N 0 0 306.793 3.251 20 10 DGCDRN O=C(CCc1ccc(Cl)s1)NCc1ccc(O)cc1O ZINC001142533626 1087278884 /nfs/dbraw/zinc/27/88/84/1087278884.db2.gz OEDXHJLHJPSUHY-UHFFFAOYSA-N 0 0 311.790 3.062 20 10 DGCDRN COC(=O)c1cc(Cl)cc(Nc2ccncc2Cl)c1O ZINC001212157687 1087549667 /nfs/dbraw/zinc/54/96/67/1087549667.db2.gz YKMMPHDCGCUAOE-UHFFFAOYSA-N 0 0 313.140 3.046 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2cc3ccccc3cn2)c(O)c1 ZINC001151699093 1087762396 /nfs/dbraw/zinc/76/23/96/1087762396.db2.gz JBBNFUYANPUCFH-UHFFFAOYSA-N 0 0 306.365 3.487 20 10 DGCDRN CCOc1ccc2ncnc(NCc3ccc(O)c(O)c3)c2c1 ZINC001158996188 1088124924 /nfs/dbraw/zinc/12/49/24/1088124924.db2.gz ZGFMFHDXEBILPA-UHFFFAOYSA-N 0 0 311.341 3.052 20 10 DGCDRN O=[N+]([O-])c1cccc2ccc(NCc3ccc(O)c(O)c3)nc21 ZINC001158995480 1088125378 /nfs/dbraw/zinc/12/53/78/1088125378.db2.gz GEZXYIXIAHEAIE-UHFFFAOYSA-N 0 0 311.297 3.166 20 10 DGCDRN Cc1cccc(-c2ccc(NCc3ccc(O)c(O)c3)nn2)c1 ZINC001158997807 1088126873 /nfs/dbraw/zinc/12/68/73/1088126873.db2.gz OZQMMQSTDPBPKN-UHFFFAOYSA-N 0 0 307.353 3.475 20 10 DGCDRN CC[C@@H](C)c1nc2[nH]ccc2c(NCc2ccc(O)c(O)c2)n1 ZINC001159004082 1088133154 /nfs/dbraw/zinc/13/31/54/1088133154.db2.gz CYXBLPPSCGNTOJ-SNVBAGLBSA-N 0 0 312.373 3.495 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ncn2ccccc12 ZINC001153037481 1088149732 /nfs/dbraw/zinc/14/97/32/1088149732.db2.gz AHKHTWRXKCWSSK-UHFFFAOYSA-N 0 0 322.412 3.063 20 10 DGCDRN CO[C@](C)(C(=O)NCc1cccc(Cl)c1O)c1ccccc1 ZINC001159034364 1088152991 /nfs/dbraw/zinc/15/29/91/1088152991.db2.gz SJCQLNOEVVTZEX-KRWDZBQOSA-N 0 0 319.788 3.224 20 10 DGCDRN Cc1ncc(/C=C/C(=O)NCc2cccc(Cl)c2O)s1 ZINC001159041433 1088155464 /nfs/dbraw/zinc/15/54/64/1088155464.db2.gz MSZJDHJEBXSOOW-AATRIKPKSA-N 0 0 308.790 3.140 20 10 DGCDRN CC(C)(C)OC(=O)Nc1cc(Nc2ccc(N)cc2)ncn1 ZINC001159180788 1088223729 /nfs/dbraw/zinc/22/37/29/1088223729.db2.gz GJGZZLDTFLKQIR-UHFFFAOYSA-N 0 0 301.350 3.149 20 10 DGCDRN Cc1ccc2c(CCC(=O)NCc3cccc(O)c3O)c[nH]c2c1 ZINC001153798345 1088363057 /nfs/dbraw/zinc/36/30/57/1088363057.db2.gz PPPPZCODWDOWKO-UHFFFAOYSA-N 0 0 324.380 3.137 20 10 DGCDRN CCSc1ccccc1C(=O)NCc1cc(O)ccc1O ZINC001153879898 1088395437 /nfs/dbraw/zinc/39/54/37/1088395437.db2.gz YXTOVFDICJWPPJ-UHFFFAOYSA-N 0 0 303.383 3.140 20 10 DGCDRN C[C@@H](NCc1ccc(Br)cc1O)c1cscn1 ZINC000691439031 1088457803 /nfs/dbraw/zinc/45/78/03/1088457803.db2.gz AHZXPMOBQAVZAA-MRVPVSSYSA-N 0 0 313.220 3.462 20 10 DGCDRN Cc1c[nH]c2cccc(C(=O)N3CCc4cccc(O)c4C3)c12 ZINC001154081702 1088465220 /nfs/dbraw/zinc/46/52/20/1088465220.db2.gz VJQXQRSQESCGDO-UHFFFAOYSA-N 0 0 306.365 3.380 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2cccc3cnncc32)cc1 ZINC001154271029 1088542933 /nfs/dbraw/zinc/54/29/33/1088542933.db2.gz IAVMEAVOJXGUAT-UHFFFAOYSA-N 0 0 320.312 3.045 20 10 DGCDRN Cc1cc(NCc2cc(Cl)c3cccnc3c2O)ncn1 ZINC001168523309 1088560225 /nfs/dbraw/zinc/56/02/25/1088560225.db2.gz NDEKNPYPSURLLY-UHFFFAOYSA-N 0 0 300.749 3.304 20 10 DGCDRN Cc1cc(CC(=O)NC[C@H]2CCCC2=O)c(C)n1-c1ccccc1 ZINC001154560713 1088655587 /nfs/dbraw/zinc/65/55/87/1088655587.db2.gz UDEULLYDWCMVPA-MRXNPFEDSA-N 0 0 324.424 3.122 20 10 DGCDRN Nc1nc(Cl)cc(NCc2cc3ccccc3cc2O)n1 ZINC001160206084 1088697805 /nfs/dbraw/zinc/69/78/05/1088697805.db2.gz JZVVJQDYOUFUNM-UHFFFAOYSA-N 0 0 300.749 3.183 20 10 DGCDRN CCN(Cc1ccccc1O)c1ncc([N+](=O)[O-])c(C)c1C ZINC001154888919 1088810575 /nfs/dbraw/zinc/81/05/75/1088810575.db2.gz KHVXXFZUMSYUKL-UHFFFAOYSA-N 0 0 301.346 3.339 20 10 DGCDRN COC(=O)c1ccc(Cl)nc1NCc1cccc(C)c1O ZINC001160765272 1088947675 /nfs/dbraw/zinc/94/76/75/1088947675.db2.gz YPSBYFYYKQBNNR-UHFFFAOYSA-N 0 0 306.749 3.148 20 10 DGCDRN Cc1cccc(CNc2nc(Cl)nc3ncccc32)c1O ZINC001160764808 1088948459 /nfs/dbraw/zinc/94/84/59/1088948459.db2.gz NIGOSXWYYQIMMT-UHFFFAOYSA-N 0 0 300.749 3.304 20 10 DGCDRN COC(OC)c1cc(C)cnc1NCc1cccc(C)c1O ZINC001160769947 1088951577 /nfs/dbraw/zinc/95/15/77/1088951577.db2.gz NJJUOGDLBCHFHT-UHFFFAOYSA-N 0 0 302.374 3.308 20 10 DGCDRN CCOC(=O)c1ccnc(NCc2c(C)cc(C)cc2O)c1 ZINC001160807747 1088972225 /nfs/dbraw/zinc/97/22/25/1088972225.db2.gz BNOWYBPCGOPGPG-UHFFFAOYSA-N 0 0 300.358 3.193 20 10 DGCDRN Cc1cc(C)c(CNc2c[nH]c3ncnc(Cl)c23)c(O)c1 ZINC001160808480 1088972965 /nfs/dbraw/zinc/97/29/65/1088972965.db2.gz SOUBXOHWZOXBJQ-UHFFFAOYSA-N 0 0 302.765 3.497 20 10 DGCDRN Cc1cc(C)c(CNc2nc(C)nc(Cl)c2[N+](=O)[O-])c(O)c1 ZINC001160808684 1088973840 /nfs/dbraw/zinc/97/38/40/1088973840.db2.gz YGVUCTKWJJAWRW-UHFFFAOYSA-N 0 0 322.752 3.281 20 10 DGCDRN COC(=O)c1cnc(NCc2c(C)cc(C)cc2O)c(C)c1 ZINC001160808669 1088974564 /nfs/dbraw/zinc/97/45/64/1088974564.db2.gz XWNVHPBXGZYRCC-UHFFFAOYSA-N 0 0 300.358 3.111 20 10 DGCDRN Cc1cc(C)c(CNc2ncc3ncn(C(C)C)c3n2)c(O)c1 ZINC001160810960 1088974858 /nfs/dbraw/zinc/97/48/58/1088974858.db2.gz AOBCWVIVLLXODF-UHFFFAOYSA-N 0 0 311.389 3.342 20 10 DGCDRN Cc1cc(C)c(CNc2nccnc2OCC(C)C)c(O)c1 ZINC001160811271 1088977229 /nfs/dbraw/zinc/97/72/29/1088977229.db2.gz IYOZXJQUJIRKEI-UHFFFAOYSA-N 0 0 301.390 3.446 20 10 DGCDRN Cc1ccc(C(=O)N[C@H](C)COCC2CCCCC2)c(O)c1O ZINC001156148175 1089407373 /nfs/dbraw/zinc/40/73/73/1089407373.db2.gz PVWWKBDENVPZFS-CYBMUJFWSA-N 0 0 321.417 3.121 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC001156206091 1089432615 /nfs/dbraw/zinc/43/26/15/1089432615.db2.gz NETSDZUYDJMCCT-LSDHHAIUSA-N 0 0 308.341 3.135 20 10 DGCDRN O=C(Nc1cccc(-c2ccon2)c1)c1c(F)ccc(O)c1[O-] ZINC001161853831 1089443657 /nfs/dbraw/zinc/44/36/57/1089443657.db2.gz AMIIIPIFNADYRQ-UHFFFAOYSA-N 0 0 314.272 3.144 20 10 DGCDRN CC(C)Oc1cccc(N(CCO)c2ccc(N)cc2)c1F ZINC001212321455 1089494492 /nfs/dbraw/zinc/49/44/92/1089494492.db2.gz GCCJCBWXPWJENX-UHFFFAOYSA-N 0 0 304.365 3.326 20 10 DGCDRN CCCCCC(=O)NCCC1=CCN(c2ccc(C)nn2)CC1 ZINC001089803315 1089520266 /nfs/dbraw/zinc/52/02/66/1089520266.db2.gz ITBXRCXOLPTDOX-UHFFFAOYSA-N 0 0 316.449 3.008 20 10 DGCDRN CCCC(=O)NCCC1=CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001089804450 1089522826 /nfs/dbraw/zinc/52/28/26/1089522826.db2.gz IOLPVFOIWIGDAX-UHFFFAOYSA-N 0 0 317.389 3.038 20 10 DGCDRN CCc1c(Cl)ncnc1N(C)Cc1ccc(N(C)C)cc1 ZINC001156920397 1089743999 /nfs/dbraw/zinc/74/39/99/1089743999.db2.gz CKPFVGVJZUJWOL-UHFFFAOYSA-N 0 0 304.825 3.395 20 10 DGCDRN CN(C)c1ccc(CN(C)c2nc(Cl)cnc2Cl)cc1 ZINC001156924270 1089745397 /nfs/dbraw/zinc/74/53/97/1089745397.db2.gz UXTXOWPLVUYGQB-UHFFFAOYSA-N 0 0 311.216 3.486 20 10 DGCDRN COc1ccc2nc(N(C)Cc3ccc(N(C)C)cc3)ncc2c1 ZINC001156921368 1089745433 /nfs/dbraw/zinc/74/54/33/1089745433.db2.gz YUZXBFXJYJQAST-UHFFFAOYSA-N 0 0 322.412 3.341 20 10 DGCDRN C[C@H](C(=O)NCc1c(O)ccc2ccccc21)c1ccccn1 ZINC001157041676 1089795898 /nfs/dbraw/zinc/79/58/98/1089795898.db2.gz KYKNGGXACPUODY-ZDUSSCGKSA-N 0 0 306.365 3.360 20 10 DGCDRN CO[C@H]1CCC[C@@H](C(=O)NCc2c(O)ccc3ccccc32)C1 ZINC001157041870 1089797505 /nfs/dbraw/zinc/79/75/05/1089797505.db2.gz QKWMHFPMLASNRO-CABCVRRESA-N 0 0 313.397 3.367 20 10 DGCDRN Oc1cc(Cl)c(Cl)cc1CN1CCc2ncncc2C1 ZINC001236797233 1089910595 /nfs/dbraw/zinc/91/05/95/1089910595.db2.gz WANYWFJVUWQBDK-UHFFFAOYSA-N 0 0 310.184 3.047 20 10 DGCDRN COc1cccc2c(NCc3ccc(N)cc3)nc(Cl)nc12 ZINC001162785542 1089954949 /nfs/dbraw/zinc/95/49/49/1089954949.db2.gz FXWUEEHEJNAVMG-UHFFFAOYSA-N 0 0 314.776 3.486 20 10 DGCDRN COC(=O)c1cccc2nc(NCc3ccc(N)cc3)ccc21 ZINC001162787140 1089956163 /nfs/dbraw/zinc/95/61/63/1089956163.db2.gz GIPLQXMDUDBPCR-UHFFFAOYSA-N 0 0 307.353 3.216 20 10 DGCDRN COc1cc2nc(NCc3ccc(N)cc3)ccc2c(OC)c1 ZINC001162789663 1089957096 /nfs/dbraw/zinc/95/70/96/1089957096.db2.gz JVRKIXHTWZHWDC-UHFFFAOYSA-N 0 0 309.369 3.446 20 10 DGCDRN Cc1cnnc(NCc2cc(Cl)c3cccnc3c2O)c1 ZINC001157723998 1090088459 /nfs/dbraw/zinc/08/84/59/1090088459.db2.gz ILILOUGMNVAOHR-UHFFFAOYSA-N 0 0 300.749 3.304 20 10 DGCDRN O=C(N[C@@H](Cc1ccccc1)c1ncco1)C1=CC(=O)CS1 ZINC001163390595 1090173115 /nfs/dbraw/zinc/17/31/15/1090173115.db2.gz HRDCFVVIXYVKRR-ZDUSSCGKSA-N 0 0 314.366 3.156 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)CC[C@@H]1O ZINC001237078151 1090283580 /nfs/dbraw/zinc/28/35/80/1090283580.db2.gz OLDVRVQBZXJYPI-SKDRFNHKSA-N 0 0 304.217 3.292 20 10 DGCDRN Cc1cc[n+]([O-])c(NCc2cc(Cl)c3cccnc3c2O)c1 ZINC001168527439 1090349006 /nfs/dbraw/zinc/34/90/06/1090349006.db2.gz IEEZSWSHWVUMDK-UHFFFAOYSA-N 0 0 315.760 3.148 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)/C(F)=C(/C)C2CC2)cc1 ZINC001164597936 1090445462 /nfs/dbraw/zinc/44/54/62/1090445462.db2.gz WTWFPJRYCNRCFK-GHRIWEEISA-N 0 0 320.408 3.243 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)/C(F)=C(\C)C2CC2)cc1 ZINC001164597937 1090445655 /nfs/dbraw/zinc/44/56/55/1090445655.db2.gz WTWFPJRYCNRCFK-LGMDPLHJSA-N 0 0 320.408 3.243 20 10 DGCDRN COC(=O)C(C)(C)CSc1ncc(-c2ccccc2)n1C ZINC001165274570 1090494972 /nfs/dbraw/zinc/49/49/72/1090494972.db2.gz DKMNHVCZOSKWHL-UHFFFAOYSA-N 0 0 304.415 3.378 20 10 DGCDRN C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1cc(Cl)ccc1O ZINC001165497868 1090525284 /nfs/dbraw/zinc/52/52/84/1090525284.db2.gz IVSMVLRWKHGDJQ-SNVBAGLBSA-N 0 0 323.751 3.268 20 10 DGCDRN CSc1cc(F)c(-c2noc(-c3csnn3)n2)cc1F ZINC001212364605 1090578879 /nfs/dbraw/zinc/57/88/79/1090578879.db2.gz VJJZGGMNSVNVQY-UHFFFAOYSA-N 0 0 312.326 3.255 20 10 DGCDRN Cc1snnc1-c1nc(-c2ccc(N3CCCC3)cc2)no1 ZINC001212405015 1090626529 /nfs/dbraw/zinc/62/65/29/1090626529.db2.gz DQEWBLMIJWABGK-UHFFFAOYSA-N 0 0 313.386 3.164 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2cccc(OC)n2)C1 ZINC001166815820 1090661502 /nfs/dbraw/zinc/66/15/02/1090661502.db2.gz KHIIGUURSKMSSB-UHFFFAOYSA-N 0 0 323.396 3.153 20 10 DGCDRN COc1cc(OC)cc(N(C)C(=O)/C(C)=C/c2cccnc2)c1 ZINC001128115366 1090669583 /nfs/dbraw/zinc/66/95/83/1090669583.db2.gz BLPQDTDNYFLPDC-MDWZMJQESA-N 0 0 312.369 3.165 20 10 DGCDRN COc1ncc(Nc2ccccc2C(=O)c2ccncc2)cc1N ZINC001203515180 1090746441 /nfs/dbraw/zinc/74/64/41/1090746441.db2.gz ZXYLKEOROMUSSW-UHFFFAOYSA-N 0 0 320.352 3.042 20 10 DGCDRN COC(C[N@H+](Cc1ccccc1)Cc1ccccc1O)OC ZINC001203550566 1090753219 /nfs/dbraw/zinc/75/32/19/1090753219.db2.gz ZXOCVPMBOJWQHH-UHFFFAOYSA-N 0 0 301.386 3.013 20 10 DGCDRN COc1ccccc1OC1CC[NH+](Cc2ccccc2O)CC1 ZINC001203556007 1090753938 /nfs/dbraw/zinc/75/39/38/1090753938.db2.gz ILVUQKSXSIUWNJ-UHFFFAOYSA-N 0 0 313.397 3.444 20 10 DGCDRN C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1[N+](=O)[O-] ZINC001203559071 1090755889 /nfs/dbraw/zinc/75/58/89/1090755889.db2.gz AYADMCFTHDDKOT-JTQLQIEISA-N 0 0 317.301 3.059 20 10 DGCDRN C[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@]1(C)O ZINC001203574226 1090759351 /nfs/dbraw/zinc/75/93/51/1090759351.db2.gz QHMWEPMDDUFVDC-XPTSAGLGSA-N 0 0 304.217 3.292 20 10 DGCDRN COC(=O)CC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1CC1 ZINC001203584539 1090761419 /nfs/dbraw/zinc/76/14/19/1090761419.db2.gz BVNFBDDZFVVGCP-UHFFFAOYSA-N 0 0 318.200 3.227 20 10 DGCDRN Oc1ccc(Br)cc1CN1CC2(C1)CC(F)(F)C2 ZINC001203636663 1090771162 /nfs/dbraw/zinc/77/11/62/1090771162.db2.gz ZKERHUPWRVTRQH-UHFFFAOYSA-N 0 0 318.161 3.386 20 10 DGCDRN Cc1nc([C@H]2COCCN2Cc2cc(Cl)ccc2O)cs1 ZINC001203656087 1090774470 /nfs/dbraw/zinc/77/44/70/1090774470.db2.gz HEPAZKPCEAGGHK-CQSZACIVSA-N 0 0 324.833 3.384 20 10 DGCDRN CCOCc1noc2c1CN(Cc1cc(Cl)ccc1O)CC2 ZINC001203658477 1090774675 /nfs/dbraw/zinc/77/46/75/1090774675.db2.gz XJMVUDRIALVIRS-UHFFFAOYSA-N 0 0 322.792 3.128 20 10 DGCDRN COc1ccc(O)c(CN2CCc3nc(Cl)ccc3C2)c1 ZINC001203679067 1090779149 /nfs/dbraw/zinc/77/91/49/1090779149.db2.gz ZBWBABFSDZKPOH-UHFFFAOYSA-N 0 0 304.777 3.008 20 10 DGCDRN CCN(CC)c1ccc(CN2CC(F)(F)C[C@]2(C)CO)cc1 ZINC001203940486 1090843808 /nfs/dbraw/zinc/84/38/08/1090843808.db2.gz NQTSXBPJFFHOEJ-MRXNPFEDSA-N 0 0 312.404 3.125 20 10 DGCDRN CN(C)c1ccc(CN2CC[C@@H](N3CCCC3)C(F)(F)C2)cc1 ZINC001203937283 1090844042 /nfs/dbraw/zinc/84/40/42/1090844042.db2.gz TVEASHAQMGSCTG-QGZVFWFLSA-N 0 0 323.431 3.058 20 10 DGCDRN COC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCCCCC1 ZINC001203968444 1090854767 /nfs/dbraw/zinc/85/47/67/1090854767.db2.gz OHEVMLLZUCUIGN-UHFFFAOYSA-N 0 0 308.378 3.129 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2ccncc2)C1 ZINC001204080792 1090894422 /nfs/dbraw/zinc/89/44/22/1090894422.db2.gz VCKSLMWFWYVFEU-UHFFFAOYSA-N 0 0 307.397 3.140 20 10 DGCDRN CCOC(=O)[C@H]1CCCCN1Cc1ccc(N2CCCC2)cc1 ZINC001204323018 1090949055 /nfs/dbraw/zinc/94/90/55/1090949055.db2.gz ZBRXLLMZJQBHIH-GOSISDBHSA-N 0 0 316.445 3.204 20 10 DGCDRN CCc1ccc([C@H]2COCCN2Cc2cc(F)c(F)cc2O)o1 ZINC001204346956 1090953224 /nfs/dbraw/zinc/95/32/24/1090953224.db2.gz FMDPPJIOQIELFH-OAHLLOKOSA-N 0 0 323.339 3.399 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC000715806057 1091009532 /nfs/dbraw/zinc/00/95/32/1091009532.db2.gz PHWWRFQAFLOSQS-VIFPVBQESA-N 0 0 320.177 3.475 20 10 DGCDRN COc1ccc(CN2CCCc3cc(O)c(O)cc3C2)c(F)c1 ZINC001204933886 1091066734 /nfs/dbraw/zinc/06/67/34/1091066734.db2.gz HNQPFJQIZJLNPB-UHFFFAOYSA-N 0 0 317.360 3.194 20 10 DGCDRN O=C1CCCN(Cc2ccc(N3CCCCC3)cc2)C[C@H]1F ZINC001138215658 1091118370 /nfs/dbraw/zinc/11/83/70/1091118370.db2.gz NCBKFVVLBXUDKW-QGZVFWFLSA-N 0 0 304.409 3.180 20 10 DGCDRN COC(=O)[C@H](C(C)C)N(C)Cc1c(C)n(C)c2ccccc12 ZINC001138257961 1091126774 /nfs/dbraw/zinc/12/67/74/1091126774.db2.gz FSKXWPMUZZMDTD-KRWDZBQOSA-N 0 0 302.418 3.116 20 10 DGCDRN Cc1c(CN2CCN(C)c3ncccc3C2)c2ccccc2n1C ZINC001138255304 1091126951 /nfs/dbraw/zinc/12/69/51/1091126951.db2.gz BBCDOEHBXWPDOZ-UHFFFAOYSA-N 0 0 320.440 3.334 20 10 DGCDRN CCCN(CC(=O)OCC)Cc1c(C)n(C)c2ccccc21 ZINC001138258453 1091128242 /nfs/dbraw/zinc/12/82/42/1091128242.db2.gz SJJGJHANWUGIKJ-UHFFFAOYSA-N 0 0 302.418 3.262 20 10 DGCDRN CCCCN(CC(=O)OCC)Cc1ccc2c(c1)CCCN2C ZINC001138359038 1091151595 /nfs/dbraw/zinc/15/15/95/1091151595.db2.gz IIEQJPKQGDHRFR-UHFFFAOYSA-N 0 0 318.461 3.234 20 10 DGCDRN CN1CCCc2cc(CN3CCC[C@@H]3c3ncccn3)ccc21 ZINC001138359508 1091152115 /nfs/dbraw/zinc/15/21/15/1091152115.db2.gz CKEBYYPTSTUMJI-GOSISDBHSA-N 0 0 308.429 3.196 20 10 DGCDRN CCc1nnc(N(C)Cc2ccccc2O)n1CCC(C)C ZINC001292840272 1091186266 /nfs/dbraw/zinc/18/62/66/1091186266.db2.gz GTPAKDKUOQNCEM-UHFFFAOYSA-N 0 0 302.422 3.229 20 10 DGCDRN COC(=O)c1cnc([C@@H](C)N(C)c2ccc(OC)c(F)c2)s1 ZINC001205359799 1091199287 /nfs/dbraw/zinc/19/92/87/1091199287.db2.gz HBBVPWHEFBQFPC-SECBINFHSA-N 0 0 324.377 3.275 20 10 DGCDRN COC(=O)[C@H](C)[N@H+](Cc1cc(C(C)C)ccc1O)C1CCC1 ZINC001205403117 1091212202 /nfs/dbraw/zinc/21/22/02/1091212202.db2.gz REIABYAUZXYESN-ZDUSSCGKSA-N 0 0 305.418 3.432 20 10 DGCDRN [O-]c1cccc(F)c1C[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001137841644 1091226255 /nfs/dbraw/zinc/22/62/55/1091226255.db2.gz NYQARODNIAVBFO-CQSZACIVSA-N 0 0 305.324 3.324 20 10 DGCDRN C[C@H](Cc1cccs1)N(C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001294431576 1091393515 /nfs/dbraw/zinc/39/35/15/1091393515.db2.gz MRRYWGMRNJJXHO-XYLWRLHESA-N 0 0 317.410 3.262 20 10 DGCDRN Nc1ccc(N(c2cnn3cccnc23)c2ccc(N)cc2)cc1 ZINC001205997285 1091443968 /nfs/dbraw/zinc/44/39/68/1091443968.db2.gz JEHMESIRPVTRQZ-UHFFFAOYSA-N 0 0 316.368 3.364 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC001139123828 1091456557 /nfs/dbraw/zinc/45/65/57/1091456557.db2.gz KZRIGLLTLKAWCV-INIZCTEOSA-N 0 0 318.461 3.394 20 10 DGCDRN CCC[N@@H+](Cc1c([O-])ccc2c(C)cc(=O)oc21)CC1CC1 ZINC001139126224 1091456709 /nfs/dbraw/zinc/45/67/09/1091456709.db2.gz BGAWRJAUPTZPFQ-UHFFFAOYSA-N 0 0 301.386 3.429 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCC[C@H](F)CC1 ZINC001139126686 1091456901 /nfs/dbraw/zinc/45/69/01/1091456901.db2.gz MSSXJOGOMCNSHI-LBPRGKRZSA-N 0 0 305.349 3.131 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc3cccnc3c2)c1 ZINC001294936365 1091473467 /nfs/dbraw/zinc/47/34/67/1091473467.db2.gz GDBSCSCPHLKPBZ-LBPRGKRZSA-N 0 0 322.364 3.440 20 10 DGCDRN CO[C@@H]1CCC[C@H]1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001273240927 1091610603 /nfs/dbraw/zinc/61/06/03/1091610603.db2.gz ZFPPPKBOVCETPP-QZTJIDSGSA-N 0 0 312.413 3.391 20 10 DGCDRN CC[C@H](C)C[C@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)OC ZINC001206440445 1091631680 /nfs/dbraw/zinc/63/16/80/1091631680.db2.gz OREUFCKYERVTHE-KJTGTQQJSA-N 0 0 318.461 3.333 20 10 DGCDRN Cc1cc(CN2CCO[C@@H](c3ccncc3)C2)ccc1N(C)C ZINC001139673422 1091639126 /nfs/dbraw/zinc/63/91/26/1091639126.db2.gz GPEIEGZJHRVILQ-LJQANCHMSA-N 0 0 311.429 3.030 20 10 DGCDRN C[N@H+](Cc1ccc2c(c1)OCO2)Cc1c(F)ccc(F)c1[O-] ZINC001139685962 1091641208 /nfs/dbraw/zinc/64/12/08/1091641208.db2.gz HVKRJNGJHNICCH-UHFFFAOYSA-N 0 0 307.296 3.031 20 10 DGCDRN Oc1ccc(F)cc1CN1Cc2cc(Br)cnc2C1 ZINC001140055052 1091749826 /nfs/dbraw/zinc/74/98/26/1091749826.db2.gz FUEHTZIAXMHZNQ-UHFFFAOYSA-N 0 0 323.165 3.205 20 10 DGCDRN CCCc1noc([C@@H]2CCC[N@H+](Cc3cc(F)ccc3O)C2)n1 ZINC001140058488 1091752751 /nfs/dbraw/zinc/75/27/51/1091752751.db2.gz CPOGFZWEQKGDBD-GFCCVEGCSA-N 0 0 319.380 3.246 20 10 DGCDRN Oc1cccc(Br)c1CN1CCC(F)(F)[C@H](F)C1 ZINC001140098970 1091766855 /nfs/dbraw/zinc/76/68/55/1091766855.db2.gz VOLFROCBWHSJFT-LLVKDONJSA-N 0 0 324.140 3.334 20 10 DGCDRN Cc1nc2c(o1)CCN(Cc1c(O)cccc1Br)C2 ZINC001140101841 1091769698 /nfs/dbraw/zinc/76/96/98/1091769698.db2.gz BNDVUEYFZMOLDD-UHFFFAOYSA-N 0 0 323.190 3.009 20 10 DGCDRN COc1ccc(N2CCN(Cc3cc(C)ccn3)CC2)c(C)c1 ZINC001206853694 1091770700 /nfs/dbraw/zinc/77/07/00/1091770700.db2.gz WXDSKTIGASRMOI-UHFFFAOYSA-N 0 0 311.429 3.029 20 10 DGCDRN CC[C@@H]1[N@H+](Cc2c(O)cccc2Cl)CCC[C@]12CCC(=O)N2 ZINC001140339269 1091832362 /nfs/dbraw/zinc/83/23/62/1091832362.db2.gz HEKKNUUSOQQXDZ-RDJZCZTQSA-N 0 0 322.836 3.069 20 10 DGCDRN Cc1nc([C@H]2COCCN2Cc2c(O)cccc2Cl)cs1 ZINC001140339445 1091833608 /nfs/dbraw/zinc/83/36/08/1091833608.db2.gz UZVSHTNFTMYWCJ-CQSZACIVSA-N 0 0 324.833 3.384 20 10 DGCDRN O=[N+]([O-])c1c(NCc2cccc(Cl)c2O)nc2sccn21 ZINC001307229669 1091847753 /nfs/dbraw/zinc/84/77/53/1091847753.db2.gz LSJIHMGYGMGWLM-UHFFFAOYSA-N 0 0 324.749 3.275 20 10 DGCDRN C[C@H]1C(=O)Nc2ccccc2CN1Cc1ccc(Cl)cc1O ZINC001207195851 1091882803 /nfs/dbraw/zinc/88/28/03/1091882803.db2.gz FOOVMFBTHGPAPE-NSHDSACASA-N 0 0 316.788 3.388 20 10 DGCDRN Fc1cc(N2CCOCC2)ccc1C[NH+]1CC2(C1)CCCCC2 ZINC001140664411 1091952483 /nfs/dbraw/zinc/95/24/83/1091952483.db2.gz IWZDAQDKIZTEFG-UHFFFAOYSA-N 0 0 318.436 3.428 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001207549185 1092017806 /nfs/dbraw/zinc/01/78/06/1092017806.db2.gz RMJGUSYGXYXDPP-KBXCAEBGSA-N 0 0 301.336 3.444 20 10 DGCDRN CN(C)c1ccc(CN(C)Cc2ccc(O)c(F)c2F)cc1 ZINC001140892119 1092052593 /nfs/dbraw/zinc/05/25/93/1092052593.db2.gz AYTKDLXQOCMATJ-UHFFFAOYSA-N 0 0 306.356 3.368 20 10 DGCDRN CN(C)c1ccc(CN2CCc3cccnc3C2)c(Cl)c1 ZINC001140924336 1092064800 /nfs/dbraw/zinc/06/48/00/1092064800.db2.gz FUCOAFNUJSPFCL-UHFFFAOYSA-N 0 0 301.821 3.359 20 10 DGCDRN C[N@H+](CCCC(=O)OC(C)(C)C)Cc1cc(F)c(F)cc1[O-] ZINC001207732268 1092084161 /nfs/dbraw/zinc/08/41/61/1092084161.db2.gz FWYVLKNHSFCJJR-UHFFFAOYSA-N 0 0 315.360 3.224 20 10 DGCDRN CN(Cc1nccs1)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141077822 1092129502 /nfs/dbraw/zinc/12/95/02/1092129502.db2.gz AVLKCYQDQJMUAP-UHFFFAOYSA-N 0 0 313.470 3.474 20 10 DGCDRN CN(Cc1cc(O)ccc1O)Cc1ccccc1Br ZINC001141156332 1092156203 /nfs/dbraw/zinc/15/62/03/1092156203.db2.gz JRVIDHIUPJTRJB-UHFFFAOYSA-N 0 0 322.202 3.492 20 10 DGCDRN Oc1ccc(O)c(CN2CCOC[C@@H]2c2ccccc2Cl)c1 ZINC001141162351 1092157874 /nfs/dbraw/zinc/15/78/74/1092157874.db2.gz QJRQNZFPVZZNIH-MRXNPFEDSA-N 0 0 319.788 3.325 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NOCc2ccccn2)cc1 ZINC001299113801 1092159002 /nfs/dbraw/zinc/15/90/02/1092159002.db2.gz HZAKXYVKYUJXGK-UHFFFAOYSA-N 0 0 321.380 3.351 20 10 DGCDRN COc1ccc(N2CCN(Cc3ccc(C)cc3F)CC2)cc1 ZINC001141191229 1092168437 /nfs/dbraw/zinc/16/84/37/1092168437.db2.gz FDZHGBCYIZSMMZ-UHFFFAOYSA-N 0 0 314.404 3.465 20 10 DGCDRN Oc1cc(F)c(F)cc1CN1CC(OCc2ccccc2)C1 ZINC001142520921 1092493270 /nfs/dbraw/zinc/49/32/70/1092493270.db2.gz RLBUXGVAQVKCED-UHFFFAOYSA-N 0 0 305.324 3.071 20 10 DGCDRN O=C(N[C@H](CCc1ccccc1)C(F)F)c1cccc(O)c1O ZINC001300878991 1092525964 /nfs/dbraw/zinc/52/59/64/1092525964.db2.gz SWQQBUUQZXGFBQ-CYBMUJFWSA-N 0 0 321.323 3.094 20 10 DGCDRN CN1CC=C(Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 ZINC001208838191 1092537486 /nfs/dbraw/zinc/53/74/86/1092537486.db2.gz POBUGUHUKQSKKJ-UHFFFAOYSA-N 0 0 318.376 3.093 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001149880541 1092738964 /nfs/dbraw/zinc/73/89/64/1092738964.db2.gz KGVBCJLFZVBIPB-DLBZAZTESA-N 0 0 310.397 3.330 20 10 DGCDRN COc1cccc(CNC(=O)/C=C\CCc2ccccc2)c1O ZINC001150543966 1092791875 /nfs/dbraw/zinc/79/18/75/1092791875.db2.gz VXKINXZBAJFEIL-MLPAPPSSSA-N 0 0 311.381 3.206 20 10 DGCDRN Cc1cccc2[nH]c(C(=O)N3CCc4cccc(O)c4C3)cc21 ZINC001151078697 1092861345 /nfs/dbraw/zinc/86/13/45/1092861345.db2.gz ZRXALTTZCYBIEG-UHFFFAOYSA-N 0 0 306.365 3.380 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2c[nH]c(=O)c3ccccc23)c(O)c1 ZINC001151163606 1092872217 /nfs/dbraw/zinc/87/22/17/1092872217.db2.gz WXPIAYJZLQUZCO-UHFFFAOYSA-N 0 0 322.364 3.193 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2cc3ccccc3[nH]c2=O)c(O)c1 ZINC001151239121 1092878683 /nfs/dbraw/zinc/87/86/83/1092878683.db2.gz MLBXLXDHMQHXIF-UHFFFAOYSA-N 0 0 322.364 3.193 20 10 DGCDRN COC(=O)c1cc(Nc2ccc3c(c2)OCCN3)ccc1OC ZINC001209767025 1092911953 /nfs/dbraw/zinc/91/19/53/1092911953.db2.gz HQEDNLHVGYPWQM-UHFFFAOYSA-N 0 0 314.341 3.030 20 10 DGCDRN COC(=O)[C@@H]1Cc2cccc(Nc3ccc4c(c3)OCCN4)c2C1 ZINC001209792314 1092926280 /nfs/dbraw/zinc/92/62/80/1092926280.db2.gz MMEREOOYJQGUNT-CYBMUJFWSA-N 0 0 324.380 3.122 20 10 DGCDRN COc1ccc(C(=O)c2ccccc2Nc2ccncn2)cc1 ZINC001211030765 1093357477 /nfs/dbraw/zinc/35/74/77/1093357477.db2.gz SUUAAKMYGMVTCK-UHFFFAOYSA-N 0 0 305.337 3.460 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2noc(-c3cnc(N)o3)n2)cc1 ZINC001213962350 1093687749 /nfs/dbraw/zinc/68/77/49/1093687749.db2.gz QGEINHNQNXKJRV-UHFFFAOYSA-N 0 0 321.340 3.381 20 10 DGCDRN Cc1ccc(N(CCO)c2ccc(N)cc2)cc1OC(C)C ZINC001214334699 1093757260 /nfs/dbraw/zinc/75/72/60/1093757260.db2.gz VXOOZHNMEAUPCL-UHFFFAOYSA-N 0 0 300.402 3.495 20 10 DGCDRN Cc1cc(F)c(-c2noc(-c3ccc(O)c(O)c3)n2)cc1F ZINC001215303995 1093954776 /nfs/dbraw/zinc/95/47/76/1093954776.db2.gz ARBCHZQTZYTQOR-UHFFFAOYSA-N 0 0 304.252 3.401 20 10 DGCDRN Oc1ccc(-c2nc(-c3cccc(OC4CC4)c3)no2)cc1O ZINC001215304163 1093956043 /nfs/dbraw/zinc/95/60/43/1093956043.db2.gz GJXVGDHQZWAULL-UHFFFAOYSA-N 0 0 310.309 3.356 20 10 DGCDRN CC(=O)c1ccc(-c2noc(-c3ccc(O)c(O)c3)n2)c(F)c1 ZINC001215304782 1093956115 /nfs/dbraw/zinc/95/61/15/1093956115.db2.gz ZFIIQKQXPFCYJL-UHFFFAOYSA-N 0 0 314.272 3.157 20 10 DGCDRN Oc1ccc(-c2nc(-c3ccccc3-n3ccnc3)no2)cc1O ZINC001215304771 1093956148 /nfs/dbraw/zinc/95/61/48/1093956148.db2.gz YNPKQNATTSHAKF-UHFFFAOYSA-N 0 0 320.308 3.001 20 10 DGCDRN Oc1ccc(-c2nc(-c3ccc4ncccc4c3)no2)c(O)c1O ZINC001215325231 1093960649 /nfs/dbraw/zinc/96/06/49/1093960649.db2.gz HOBVZFHFGMWOBQ-UHFFFAOYSA-N 0 0 321.292 3.069 20 10 DGCDRN Oc1cc(-c2nc(-c3cncc4ccccc43)no2)cc(O)c1O ZINC001215328970 1093961883 /nfs/dbraw/zinc/96/18/83/1093961883.db2.gz WQVFXHODHHGFEW-UHFFFAOYSA-N 0 0 321.292 3.069 20 10 DGCDRN CON(C)C(=O)c1ccc(Nc2ccc(N)cc2)c(Cl)c1 ZINC001215901994 1094083691 /nfs/dbraw/zinc/08/36/91/1094083691.db2.gz GBCKJAOOXLGRIF-UHFFFAOYSA-N 0 0 305.765 3.299 20 10 DGCDRN COCn1cc(Nc2cccc3c2C(=O)c2ccccc2-3)cn1 ZINC001216577743 1094223254 /nfs/dbraw/zinc/22/32/54/1094223254.db2.gz IVVLEKNERWHYLN-UHFFFAOYSA-N 0 0 305.337 3.442 20 10 DGCDRN COc1cc(-c2nc(-c3cccc(F)c3C)no2)cc(O)c1O ZINC001216943839 1094282714 /nfs/dbraw/zinc/28/27/14/1094282714.db2.gz DRLXUCJNWFHBGP-UHFFFAOYSA-N 0 0 316.288 3.271 20 10 DGCDRN COC(=O)c1sccc1CNCc1ccc(N(C)C)cc1C ZINC001119947479 1094318584 /nfs/dbraw/zinc/31/85/84/1094318584.db2.gz SXUVCDMBMQHFIM-UHFFFAOYSA-N 0 0 318.442 3.199 20 10 DGCDRN C[C@@H](Nc1ccc(OC(F)F)nn1)c1ccc(N(C)C)cc1 ZINC001119954459 1094321112 /nfs/dbraw/zinc/32/11/12/1094321112.db2.gz ZKBWNKIEEWWWJU-SNVBAGLBSA-N 0 0 308.332 3.317 20 10 DGCDRN Nc1ccc(CCNC(=O)N2C[C@H](C3CC3)C[C@@H]2C2CC2)cc1 ZINC001120542119 1094450970 /nfs/dbraw/zinc/45/09/70/1094450970.db2.gz HRPCFEBTCQLBPO-SJLPKXTDSA-N 0 0 313.445 3.031 20 10 DGCDRN Nc1ccc(CNC(=O)NC[C@H]2CCCc3ccccc32)cc1 ZINC001120569904 1094458681 /nfs/dbraw/zinc/45/86/81/1094458681.db2.gz LWXIZDNMDWMPCP-MRXNPFEDSA-N 0 0 309.413 3.188 20 10 DGCDRN Cc1ccccc1C(C)(C)CNC(=O)NCc1ccc(N)cc1 ZINC001120589336 1094464347 /nfs/dbraw/zinc/46/43/47/1094464347.db2.gz BNXKYNOITBBZQL-UHFFFAOYSA-N 0 0 311.429 3.354 20 10 DGCDRN CCS[C@H]1CC[C@@H](N(C)C(=O)NCc2ccc(N)cc2)C1 ZINC001120676850 1094488207 /nfs/dbraw/zinc/48/82/07/1094488207.db2.gz DXQMYLICLMUBKX-CABCVRRESA-N 0 0 307.463 3.084 20 10 DGCDRN Cc1noc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1 ZINC001120812286 1094530293 /nfs/dbraw/zinc/53/02/93/1094530293.db2.gz PQZNGMLNKIFUPH-UHFFFAOYSA-N 0 0 324.331 3.060 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cc(Cl)cc(F)c2N)cc1 ZINC001135642396 1094616443 /nfs/dbraw/zinc/61/64/43/1094616443.db2.gz FZVRSQRYGBTEQX-UHFFFAOYSA-N 0 0 321.783 3.057 20 10 DGCDRN CCO[C@@H]1C[C@@H](NC(=O)N[C@H](C)c2ccccc2O)C12CCC2 ZINC001336448341 1094651173 /nfs/dbraw/zinc/65/11/73/1094651173.db2.gz ARIMIEZGUOLXTC-DAXOMENPSA-N 0 0 318.417 3.100 20 10 DGCDRN C[C@@H]1CCC(F)(F)CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC001336686572 1094695582 /nfs/dbraw/zinc/69/55/82/1094695582.db2.gz FQORAVXBZPATKJ-GFCCVEGCSA-N 0 0 311.376 3.082 20 10 DGCDRN Nc1ccc(CNC(=O)N[C@H](c2cccs2)C2CC2)cc1 ZINC001336720306 1094708842 /nfs/dbraw/zinc/70/88/42/1094708842.db2.gz DXHYNWBMCDXTIZ-HNNXBMFYSA-N 0 0 301.415 3.281 20 10 DGCDRN Nc1ccc(CNC(=O)NCc2ccc(C3CC3)cc2F)cc1 ZINC001336876441 1094769080 /nfs/dbraw/zinc/76/90/80/1094769080.db2.gz INRTVUSYARFKTH-UHFFFAOYSA-N 0 0 313.376 3.285 20 10 DGCDRN Cc1cc(NC(=O)c2cc(-n3c(C)ccc3C)ccc2O)n[nH]1 ZINC001218495715 1094823018 /nfs/dbraw/zinc/82/30/18/1094823018.db2.gz HZONFPVWXOPHAL-UHFFFAOYSA-N 0 0 310.357 3.084 20 10 DGCDRN c1coc([C@H]2CN(Cc3ccc(N4CCCC4)cc3)CCO2)c1 ZINC001337042238 1094827957 /nfs/dbraw/zinc/82/79/57/1094827957.db2.gz IEPIHXQQRWOQGD-LJQANCHMSA-N 0 0 312.413 3.453 20 10 DGCDRN Cc1ccc(C(=O)NC[C@H]2CCCc3ccccc32)c(O)c1O ZINC001136167533 1094922415 /nfs/dbraw/zinc/92/24/15/1094922415.db2.gz SXPSFWJHTCTQDY-CQSZACIVSA-N 0 0 311.381 3.256 20 10 DGCDRN COc1ccc(CNC(=O)Cc2ccc(N)cc2)c2ccccc12 ZINC001220814611 1095158368 /nfs/dbraw/zinc/15/83/68/1095158368.db2.gz IGCJSHORSOHKSJ-UHFFFAOYSA-N 0 0 320.392 3.290 20 10 DGCDRN CC(C)C[C@H]1CCN(c2nnc(C3SC=CC3=O)n2C)C1 ZINC001338085661 1095184357 /nfs/dbraw/zinc/18/43/57/1095184357.db2.gz AQPLNUPHXZHGBO-LLVKDONJSA-N 0 0 306.435 3.122 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CC(CC3CC3)C2)cc1 ZINC001221229520 1095217931 /nfs/dbraw/zinc/21/79/31/1095217931.db2.gz GQHUPWGJKGEVEW-UHFFFAOYSA-N 0 0 315.461 3.474 20 10 DGCDRN COc1cc(C)cc(CNc2ccc([S@@](C)=O)cc2)c1O ZINC001338235040 1095230519 /nfs/dbraw/zinc/23/05/19/1095230519.db2.gz QUGULTSFBMGHSY-OAQYLSRUSA-N 0 0 305.399 3.059 20 10 DGCDRN CC(C)(C)[C@H]1CCN1C(=O)NCCCSc1nccs1 ZINC001123517325 1095328939 /nfs/dbraw/zinc/32/89/39/1095328939.db2.gz LNDZNJCFKFKNKT-LLVKDONJSA-N 0 0 313.492 3.455 20 10 DGCDRN Nc1ccc(CNC(=O)N[C@H](c2ccccn2)C2CCC2)cc1 ZINC001338660176 1095354474 /nfs/dbraw/zinc/35/44/74/1095354474.db2.gz MIVNJKBMNOFIJO-KRWDZBQOSA-N 0 0 310.401 3.004 20 10 DGCDRN Nc1ccc(CNC(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC001338797739 1095392557 /nfs/dbraw/zinc/39/25/57/1095392557.db2.gz GOSGWYOKMAOOSO-KRWDZBQOSA-N 0 0 313.376 3.455 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1CN1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222277372 1095525684 /nfs/dbraw/zinc/52/56/84/1095525684.db2.gz MLPGUKAHGJBXEB-MRXNPFEDSA-N 0 0 312.816 3.150 20 10 DGCDRN CO[C@@](C)(C(=O)N(C)Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001124622013 1095610205 /nfs/dbraw/zinc/61/02/05/1095610205.db2.gz ASVGVMBPNYCTQS-LJQANCHMSA-N 0 0 316.445 3.060 20 10 DGCDRN C[C@@H]1C[C@@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001124621116 1095610312 /nfs/dbraw/zinc/61/03/12/1095610312.db2.gz CAZKKVGFEJBIGA-WBVHZDCISA-N 0 0 316.445 3.060 20 10 DGCDRN C=Cc1ncc(NCc2cc(Br)ccc2O)cn1 ZINC001171176538 1095645096 /nfs/dbraw/zinc/64/50/96/1095645096.db2.gz QYWKDCNURDXUPQ-UHFFFAOYSA-N 0 0 306.163 3.200 20 10 DGCDRN CCCN(Cc1ccccc1O)c1nnc(CC)c(CC)n1 ZINC001116779084 1095656236 /nfs/dbraw/zinc/65/62/36/1095656236.db2.gz GWJDBZSSNXVGEK-UHFFFAOYSA-N 0 0 300.406 3.119 20 10 DGCDRN C[C@@H](c1ccccc1)N(C)c1nnc(C2SC=CC2=O)n1C ZINC001339574285 1095662395 /nfs/dbraw/zinc/66/23/95/1095662395.db2.gz TXFAJSLHSRXDGA-NSHDSACASA-N 0 0 314.414 3.447 20 10 DGCDRN CC[C@H]([NH2+]CCC(=O)N1CCC[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC001117140075 1095719696 /nfs/dbraw/zinc/71/96/96/1095719696.db2.gz YXLVUPTVDQCHMP-CJNGLKHVSA-N 0 0 322.424 3.221 20 10 DGCDRN CN(Cc1ccccc1O)Cc1cccnc1Br ZINC001137800479 1095744793 /nfs/dbraw/zinc/74/47/93/1095744793.db2.gz LNOJIQDVQUBKSJ-UHFFFAOYSA-N 0 0 307.191 3.182 20 10 DGCDRN CN1CCC([N@H+](Cc2c([O-])cccc2F)C2CCCC2)CC1 ZINC001137841438 1095758527 /nfs/dbraw/zinc/75/85/27/1095758527.db2.gz DYXYAQWXMNFQKB-UHFFFAOYSA-N 0 0 306.425 3.370 20 10 DGCDRN CCCc1noc(C2CC[NH+](Cc3c([O-])cccc3F)CC2)n1 ZINC001137838443 1095758588 /nfs/dbraw/zinc/75/85/88/1095758588.db2.gz ACJIJIKKEVJDHG-UHFFFAOYSA-N 0 0 319.380 3.246 20 10 DGCDRN Oc1cccc(F)c1CN1CCc2c(cnn2-c2ccccc2)C1 ZINC001137837804 1095759975 /nfs/dbraw/zinc/75/99/75/1095759975.db2.gz VIHTTZTXCWQIOJ-UHFFFAOYSA-N 0 0 323.371 3.275 20 10 DGCDRN Cc1cccc(O[C@@H]2CCC[N@H+](Cc3c([O-])cccc3F)C2)n1 ZINC001137841460 1095760071 /nfs/dbraw/zinc/76/00/71/1095760071.db2.gz FRCOHEPLLXJZCQ-CQSZACIVSA-N 0 0 316.376 3.278 20 10 DGCDRN Cc1cc(CN2CC[C@@H](O)C(F)(F)C2)c(C)n1-c1ccccc1 ZINC001137857679 1095769254 /nfs/dbraw/zinc/76/92/54/1095769254.db2.gz KHPJZIBGDQFZCA-QGZVFWFLSA-N 0 0 320.383 3.296 20 10 DGCDRN O=C(Cc1c(F)cccc1F)Nc1c2nonc2ccc1Cl ZINC001117547013 1095781485 /nfs/dbraw/zinc/78/14/85/1095781485.db2.gz FQABVYYMECXUDD-UHFFFAOYSA-N 0 0 323.686 3.336 20 10 DGCDRN CNC(=O)Cc1ccccc1NC/C=C/c1ccc(N(C)C)cc1 ZINC001117830557 1095883846 /nfs/dbraw/zinc/88/38/46/1095883846.db2.gz FEOSHFQODHOITN-VOTSOKGWSA-N 0 0 323.440 3.166 20 10 DGCDRN COc1ccc(CC[N@H+](C)Cc2cccc(F)c2[O-])cc1OC ZINC001138122511 1095896459 /nfs/dbraw/zinc/89/64/59/1095896459.db2.gz JYZXGPRODPGCJM-UHFFFAOYSA-N 0 0 319.376 3.223 20 10 DGCDRN C[C@H]([NH2+]CCC(=O)N1CCC[C@@H](C)C1)c1ccc(Cl)cc1[O-] ZINC001118027233 1095924226 /nfs/dbraw/zinc/92/42/26/1095924226.db2.gz VPPKZFKUQRDIFK-OLZOCXBDSA-N 0 0 324.852 3.345 20 10 DGCDRN O=C(CCC(=O)c1ccccc1)NCc1cc(Cl)ccc1O ZINC001146221759 1096005761 /nfs/dbraw/zinc/00/57/61/1096005761.db2.gz SXMNIOVNSCHKIM-UHFFFAOYSA-N 0 0 317.772 3.325 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1c(F)ccnc1Cl ZINC001146233001 1096008191 /nfs/dbraw/zinc/00/81/91/1096008191.db2.gz OYUOBKBWRWREIY-UHFFFAOYSA-N 0 0 315.131 3.163 20 10 DGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cnc(C2CC2)[nH]1 ZINC001118798120 1096078873 /nfs/dbraw/zinc/07/88/73/1096078873.db2.gz XIBWBJYPJLXQDT-UHFFFAOYSA-N 0 0 324.428 3.207 20 10 DGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C12CC(C1)C2 ZINC001118905623 1096102241 /nfs/dbraw/zinc/10/22/41/1096102241.db2.gz CGHPQOSKBPHEBH-UHFFFAOYSA-N 0 0 324.218 3.303 20 10 DGCDRN C[C@@H](NC(=O)CCc1ccc2c(c1)CCO2)c1ccccc1O ZINC001119108501 1096134252 /nfs/dbraw/zinc/13/42/52/1096134252.db2.gz FCAMBVYQNMZXAC-CYBMUJFWSA-N 0 0 311.381 3.137 20 10 DGCDRN C[C@@H](NC(=O)NCc1ccc2c(c1)CCC2)c1ccccc1O ZINC001119154322 1096137617 /nfs/dbraw/zinc/13/76/17/1096137617.db2.gz JYYNWKKVBDUZRM-CYBMUJFWSA-N 0 0 310.397 3.441 20 10 DGCDRN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H](CCO)C(F)(F)F ZINC001119376003 1096181562 /nfs/dbraw/zinc/18/15/62/1096181562.db2.gz KOKDQJGUHRCBOM-SCVCMEIPSA-N 0 0 303.324 3.152 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2cncc3c2CCCC3)cc1 ZINC001147247888 1096186093 /nfs/dbraw/zinc/18/60/93/1096186093.db2.gz BERSPNUPLOGIJI-UHFFFAOYSA-N 0 0 323.356 3.375 20 10 DGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(=O)oc2)cc1 ZINC001147592508 1096244376 /nfs/dbraw/zinc/24/43/76/1096244376.db2.gz YRAHCEHDQKRMHL-UHFFFAOYSA-N 0 0 320.348 3.069 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2cn(C)c3ccccc23)c(O)c1 ZINC001148194777 1096319548 /nfs/dbraw/zinc/31/95/48/1096319548.db2.gz OCSWXTHVABHVEA-UHFFFAOYSA-N 0 0 308.381 3.431 20 10 DGCDRN O=C(Nc1ccccc1-c1ccncc1)c1cccc(O)c1O ZINC001148219412 1096327382 /nfs/dbraw/zinc/32/73/82/1096327382.db2.gz YOWLGQMZOUOBIX-UHFFFAOYSA-N 0 0 306.321 3.412 20 10 DGCDRN CCCC[C@@H](CC)COCCCNC(=O)c1cccc(O)c1O ZINC001148220057 1096328109 /nfs/dbraw/zinc/32/81/09/1096328109.db2.gz NODXMKWNPIVUJZ-CQSZACIVSA-N 0 0 323.433 3.451 20 10 DGCDRN CC(C)N(CC1CC1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC001225137853 1096352532 /nfs/dbraw/zinc/35/25/32/1096352532.db2.gz AUUFEZDDPKKOSV-UHFFFAOYSA-N 0 0 315.461 3.399 20 10 DGCDRN O=C(NCCCCC1CCCCC1)c1cc(O)c(O)c(O)c1 ZINC001148590820 1096408581 /nfs/dbraw/zinc/40/85/81/1096408581.db2.gz QXSUXDFFCMUJPM-UHFFFAOYSA-N 0 0 307.390 3.284 20 10 DGCDRN Nc1c(Cl)ncnc1NCc1cc2ccccc2cc1O ZINC001171398293 1096662114 /nfs/dbraw/zinc/66/21/14/1096662114.db2.gz SYTIDCQHIZHQCE-UHFFFAOYSA-N 0 0 300.749 3.183 20 10 DGCDRN CN(C)C(=O)c1cncc(NCc2cc3ccccc3cc2O)c1 ZINC001171404682 1096674896 /nfs/dbraw/zinc/67/48/96/1096674896.db2.gz IOOBNYRBGRCCEZ-UHFFFAOYSA-N 0 0 321.380 3.254 20 10 DGCDRN CCC[C@H](Oc1c(O)c(O)c(O)c(O)c1O)C1CCCCC1 ZINC001226464724 1096696086 /nfs/dbraw/zinc/69/60/86/1096696086.db2.gz LGYUSSFGYTWTOI-JTQLQIEISA-N 0 0 312.362 3.342 20 10 DGCDRN Cc1cc(-c2nc(C(=O)N[C@@H](C)c3ccccc3O)co2)ccn1 ZINC001171729453 1096956583 /nfs/dbraw/zinc/95/65/83/1096956583.db2.gz CWKUXEKYXQUUMP-LBPRGKRZSA-N 0 0 323.352 3.242 20 10 DGCDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccccc2O)c1C ZINC001171730537 1096956687 /nfs/dbraw/zinc/95/66/87/1096956687.db2.gz NKXVURABORGLFR-LBPRGKRZSA-N 0 0 314.341 3.408 20 10 DGCDRN C[C@H](NC(=O)c1cc(-n2cccc2)ccn1)c1ccccc1O ZINC001171730574 1096956728 /nfs/dbraw/zinc/95/67/28/1096956728.db2.gz PBYKKPZCNXGMOR-ZDUSSCGKSA-N 0 0 307.353 3.069 20 10 DGCDRN C[C@H](NC(=O)NCCOC1CCCCCC1)c1ccccc1O ZINC001227851646 1097000459 /nfs/dbraw/zinc/00/04/59/1097000459.db2.gz ALKYNLYPJQUFKQ-AWEZNQCLSA-N 0 0 320.433 3.492 20 10 DGCDRN CCOCC[C@H](C)[NH2+]Cc1cc(Cl)c2cccnc2c1[O-] ZINC001172409881 1097131758 /nfs/dbraw/zinc/13/17/58/1097131758.db2.gz ARWIWWZKQLWGEP-NSHDSACASA-N 0 0 308.809 3.499 20 10 DGCDRN COc1cc(C)cc(-c2noc(-c3nnsc3C3CC3)n2)c1 ZINC001212679574 1097227305 /nfs/dbraw/zinc/22/73/05/1097227305.db2.gz KEJABZVAQNVKAK-UHFFFAOYSA-N 0 0 314.370 3.450 20 10 DGCDRN Fc1ccc(-c2noc(-c3nnsc3C3CC3)n2)c(F)c1 ZINC001212679716 1097228103 /nfs/dbraw/zinc/22/81/03/1097228103.db2.gz QKMAUHZHAFMVOT-UHFFFAOYSA-N 0 0 306.297 3.411 20 10 DGCDRN COc1cnc(-c2noc(-c3nnsc3C(C)C)n2)c(C)c1 ZINC001212687562 1097260456 /nfs/dbraw/zinc/26/04/56/1097260456.db2.gz ZTIUIOMLFRNHIN-UHFFFAOYSA-N 0 0 317.374 3.091 20 10 DGCDRN CC(=O)N1CC(OC2=CC(=O)C=CC2=NNc2ccccc2)C1 ZINC001229815996 1097391950 /nfs/dbraw/zinc/39/19/50/1097391950.db2.gz OOJYOTFCMNQSLO-VHEBQXMUSA-N 0 0 311.341 3.417 20 10 DGCDRN Cc1nocc1Nc1c(N)ccc2c1C(=O)c1ccccc1C2=O ZINC001212724105 1097433767 /nfs/dbraw/zinc/43/37/67/1097433767.db2.gz YUMDLWSNXOMJHJ-UHFFFAOYSA-N 0 0 319.320 3.084 20 10 DGCDRN COc1ncccc1-n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001174041683 1097597809 /nfs/dbraw/zinc/59/78/09/1097597809.db2.gz WFUKTMQUMYEMJK-XSRZAUOLSA-N 0 0 320.356 3.358 20 10 DGCDRN CC(C)Oc1cccc(N(c2ccc(N)cc2)S(C)(=O)=O)c1 ZINC001174113383 1097606426 /nfs/dbraw/zinc/60/64/26/1097606426.db2.gz DOWFEVBIRUVLTJ-UHFFFAOYSA-N 0 0 320.414 3.154 20 10 DGCDRN Cc1nn(C)cc1Nc1ccc(C(=O)Oc2ccc(N)cc2)cc1 ZINC001174336778 1097680902 /nfs/dbraw/zinc/68/09/02/1097680902.db2.gz WWOFEDZWMMYMSN-UHFFFAOYSA-N 0 0 322.368 3.274 20 10 DGCDRN O=C([O-])c1ccc(O)c(C[NH+]2CCC3(CC(F)(F)C3)CC2)c1 ZINC001231560802 1097779191 /nfs/dbraw/zinc/77/91/91/1097779191.db2.gz NHGDWYNCTHQGEB-UHFFFAOYSA-N 0 0 311.328 3.102 20 10 DGCDRN O=C([O-])c1ccc(O)c(C[NH+]2CCC(c3ccccc3)CC2)c1 ZINC001231563918 1097780547 /nfs/dbraw/zinc/78/05/47/1097780547.db2.gz TURVQDAWWCHCPY-UHFFFAOYSA-N 0 0 311.381 3.470 20 10 DGCDRN Cc1cccc(CN2CC[C@@H](N3CCCCC3)C(F)(F)C2)c1O ZINC001231594581 1097788716 /nfs/dbraw/zinc/78/87/16/1097788716.db2.gz IKEGQABMYBROLG-MRXNPFEDSA-N 0 0 324.415 3.396 20 10 DGCDRN CCOC(=O)c1coc2c1CN(Cc1c(C)cc(C)cc1O)C2 ZINC001231848733 1097864021 /nfs/dbraw/zinc/86/40/21/1097864021.db2.gz KLCANXPPAXRTEE-UHFFFAOYSA-N 0 0 315.369 3.295 20 10 DGCDRN COc1cc(N(C)C)ccc1C[NH+]1CCC(OC(C)C)CC1 ZINC001231853964 1097865822 /nfs/dbraw/zinc/86/58/22/1097865822.db2.gz VJIQYJKSOHCSPZ-UHFFFAOYSA-N 0 0 306.450 3.151 20 10 DGCDRN C[N@@H+](Cc1cccc(Cl)c1[O-])C[C@@H]1Cc2ccccc2O1 ZINC001231913571 1097891794 /nfs/dbraw/zinc/89/17/94/1097891794.db2.gz NIANNWFEFRLFEL-AWEZNQCLSA-N 0 0 303.789 3.481 20 10 DGCDRN CCOC(=O)[C@@]1(C)CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001231914591 1097892496 /nfs/dbraw/zinc/89/24/96/1097892496.db2.gz PRDWBNLMCSYDBL-INIZCTEOSA-N 0 0 311.809 3.211 20 10 DGCDRN Cc1ccn(-c2cccc(C(=O)N3Cc4cccc(O)c4C3)c2)n1 ZINC001175029958 1097924070 /nfs/dbraw/zinc/92/40/70/1097924070.db2.gz NXZDGHARYALMMG-UHFFFAOYSA-N 0 0 319.364 3.042 20 10 DGCDRN Cc1oc(Br)cc1C(=O)N1Cc2cccc(O)c2C1 ZINC001175037350 1097926204 /nfs/dbraw/zinc/92/62/04/1097926204.db2.gz FUXYOVZEASRTJD-UHFFFAOYSA-N 0 0 322.158 3.212 20 10 DGCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1-c1ccncc1F ZINC001175197176 1097963387 /nfs/dbraw/zinc/96/33/87/1097963387.db2.gz LSFBPFDWJTYWSL-XSRZAUOLSA-N 0 0 308.320 3.488 20 10 DGCDRN F[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232202955 1097963353 /nfs/dbraw/zinc/96/33/53/1097963353.db2.gz JRYGTZLPKTYRNV-CQSZACIVSA-N 0 0 312.816 3.111 20 10 DGCDRN CN(CC(=O)c1ccccc1)Cc1cc(Cl)c(O)cc1O ZINC001232262143 1097984405 /nfs/dbraw/zinc/98/44/05/1097984405.db2.gz ARWVEEYRKILQQR-UHFFFAOYSA-N 0 0 305.761 3.066 20 10 DGCDRN Oc1cc(O)c(CN2CCOc3ccccc3C2)cc1Cl ZINC001232261872 1097985568 /nfs/dbraw/zinc/98/55/68/1097985568.db2.gz SAAMTJAQOYLESN-UHFFFAOYSA-N 0 0 305.761 3.146 20 10 DGCDRN COc1cc(O)c(CN2CCC(=O)[C@@H]3CCCC[C@H]32)cc1Cl ZINC001232266960 1097986843 /nfs/dbraw/zinc/98/68/43/1097986843.db2.gz TWDYVTAGRBOMHC-TZMCWYRMSA-N 0 0 323.820 3.388 20 10 DGCDRN CSc1cccc(N(c2ccc(N)cc2)S(C)(=O)=O)c1 ZINC001175287884 1097990403 /nfs/dbraw/zinc/99/04/03/1097990403.db2.gz SHCQUCKLKVMHTN-UHFFFAOYSA-N 0 0 308.428 3.088 20 10 DGCDRN Nc1cccc2c1C(=O)c1cccc(Nc3cncs3)c1C2=O ZINC001175498492 1098068036 /nfs/dbraw/zinc/06/80/36/1098068036.db2.gz ZCOLCYBJBLHIGA-UHFFFAOYSA-N 0 0 321.361 3.244 20 10 DGCDRN CCCn1cnc(CN(CC)Cc2ccc(N(C)C)cc2)c1 ZINC001232800127 1098140628 /nfs/dbraw/zinc/14/06/28/1098140628.db2.gz LVSUFQXPTMQKNC-UHFFFAOYSA-N 0 0 300.450 3.381 20 10 DGCDRN CN(C)c1ccc(CN2CCCC[C@H]2C(F)(F)F)c(O)c1 ZINC001232839989 1098149442 /nfs/dbraw/zinc/14/94/42/1098149442.db2.gz ZKUPHIASVSNKKH-AWEZNQCLSA-N 0 0 302.340 3.375 20 10 DGCDRN CC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(N(C)C)cc1O)CC2 ZINC001232840801 1098150833 /nfs/dbraw/zinc/15/08/33/1098150833.db2.gz JQMQQHXVURQHIB-UHFFFAOYSA-N 0 0 324.424 3.219 20 10 DGCDRN Nc1ccc(N(CCO)c2ccc(-c3cccnc3)cc2)cc1 ZINC001175888473 1098188265 /nfs/dbraw/zinc/18/82/65/1098188265.db2.gz DNSAWYDBCNACBU-UHFFFAOYSA-N 0 0 305.381 3.461 20 10 DGCDRN COc1ccc(N2CCN(Cc3cnc(C)cc3C)CC2)cc1 ZINC001233006974 1098200690 /nfs/dbraw/zinc/20/06/90/1098200690.db2.gz FRFUHAVTPBAEDG-UHFFFAOYSA-N 0 0 311.429 3.029 20 10 DGCDRN COc1ccccc1[C@H](C)N(C)Cc1cc(O)c(O)c(O)c1 ZINC001233017425 1098204405 /nfs/dbraw/zinc/20/44/05/1098204405.db2.gz UYSSTTVPSLPSAF-NSHDSACASA-N 0 0 303.358 3.005 20 10 DGCDRN [O-]c1c(CN2CC[NH+](CC3CCCCC3)CC2)ccc(F)c1F ZINC001233074316 1098219685 /nfs/dbraw/zinc/21/96/85/1098219685.db2.gz MRUAFWRWGZBBMT-UHFFFAOYSA-N 0 0 324.415 3.368 20 10 DGCDRN [O-]c1c(C[N@@H+]2CCC[C@H](Oc3cccnc3)C2)ccc(F)c1F ZINC001233077409 1098220678 /nfs/dbraw/zinc/22/06/78/1098220678.db2.gz MQAXLQQZXUFQOO-AWEZNQCLSA-N 0 0 320.339 3.109 20 10 DGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)CCc2cn[nH]c2)cc1 ZINC001175949134 1098223096 /nfs/dbraw/zinc/22/30/96/1098223096.db2.gz MSQNQUSBKUOQHP-UHFFFAOYSA-N 0 0 320.396 3.158 20 10 DGCDRN COc1ccc(N2CCN(Cc3cnc(C)c(C)c3)CC2)cc1 ZINC001233155482 1098238402 /nfs/dbraw/zinc/23/84/02/1098238402.db2.gz DACBJVTWYJZFCT-UHFFFAOYSA-N 0 0 311.429 3.029 20 10 DGCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001233334898 1098291283 /nfs/dbraw/zinc/29/12/83/1098291283.db2.gz YOIMFNGVVTYKOA-ZDUSSCGKSA-N 0 0 320.339 3.109 20 10 DGCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CCC[C@H]1Cc1ccccn1 ZINC001233334650 1098292192 /nfs/dbraw/zinc/29/21/92/1098292192.db2.gz OQLKXZROBKJQOQ-ZDUSSCGKSA-N 0 0 304.340 3.273 20 10 DGCDRN Oc1cccc2c1CN(Cc1cn3ccc(Cl)cc3n1)CC2 ZINC001233391922 1098313113 /nfs/dbraw/zinc/31/31/13/1098313113.db2.gz CSQVCTYCVCJBSQ-UHFFFAOYSA-N 0 0 313.788 3.252 20 10 DGCDRN C[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CC[C@H]1O ZINC001233415606 1098322356 /nfs/dbraw/zinc/32/23/56/1098322356.db2.gz CGEWHDOSHOLAMX-GXFFZTMASA-N 0 0 303.324 3.004 20 10 DGCDRN [O-]c1c(C[N@H+]2CCC[C@@](O)(CF)CC2)cccc1C(F)(F)F ZINC001233415972 1098322978 /nfs/dbraw/zinc/32/29/78/1098322978.db2.gz QIDKXJWUUIWILJ-AWEZNQCLSA-N 0 0 321.314 3.098 20 10 DGCDRN Oc1c(CN2CCOCC23CCC3)cccc1C(F)(F)F ZINC001233418784 1098325193 /nfs/dbraw/zinc/32/51/93/1098325193.db2.gz WMUYRJVXWCDFLA-UHFFFAOYSA-N 0 0 301.308 3.166 20 10 DGCDRN C[C@@H]1c2sccc2CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001176441450 1098344041 /nfs/dbraw/zinc/34/40/41/1098344041.db2.gz QPDPKJUNBRHBJY-JOAKQRRISA-N 0 0 315.394 3.318 20 10 DGCDRN C[C@H]1c2sccc2CCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001176441451 1098344674 /nfs/dbraw/zinc/34/46/74/1098344674.db2.gz QPDPKJUNBRHBJY-MZBZXASESA-N 0 0 315.394 3.318 20 10 DGCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@H](C)c1cn(C)nc1C ZINC001233495789 1098350315 /nfs/dbraw/zinc/35/03/15/1098350315.db2.gz RUPTZOUIEZCRSK-LLVKDONJSA-N 0 0 318.373 3.263 20 10 DGCDRN C[C@@H](CC(=O)NCc1cccc(O)c1O)c1cccc(F)c1 ZINC001176564507 1098387663 /nfs/dbraw/zinc/38/76/63/1098387663.db2.gz BJEOAYLLNPJTNX-NSHDSACASA-N 0 0 303.333 3.047 20 10 DGCDRN Cc1cnc(F)c([C@@H](C)Oc2nc[nH]c3cc(=O)c(O)cc2-3)c1 ZINC001233948234 1098465020 /nfs/dbraw/zinc/46/50/20/1098465020.db2.gz DKGBRWPDQPVGJP-SECBINFHSA-N 0 0 315.304 3.024 20 10 DGCDRN C[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])N(C)c1ccccc1 ZINC001177262231 1098509139 /nfs/dbraw/zinc/50/91/39/1098509139.db2.gz QXTYVXUHDNJZEH-GFCCVEGCSA-N 0 0 306.356 3.285 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3C[C@@H]4C[C@@H]4[C@@H](F)C3)c2c1 ZINC001234526352 1098581258 /nfs/dbraw/zinc/58/12/58/1098581258.db2.gz UDUCONZQCOWICA-NUTKFTJISA-N 0 0 301.361 3.344 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3CCCC[C@H]3C(C)=O)c2c1 ZINC001234562516 1098601687 /nfs/dbraw/zinc/60/16/87/1098601687.db2.gz OWDDDVYSJVIDQA-SFHVURJKSA-N 0 0 313.397 3.498 20 10 DGCDRN Cc1conc1CNC(=O)c1sccc1-n1c(C)ccc1C ZINC001177843377 1098630389 /nfs/dbraw/zinc/63/03/89/1098630389.db2.gz CHLBNHWBBWOSBG-UHFFFAOYSA-N 0 0 315.398 3.382 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1ccc(F)c2ccncc12 ZINC001178413686 1098828562 /nfs/dbraw/zinc/82/85/62/1098828562.db2.gz WFDNLLJVHWRBDG-UHFFFAOYSA-N 0 0 314.291 3.149 20 10 DGCDRN [O-]c1c(Cl)cc(F)cc1CN1CCCC[C@]12CCC[NH2+]C2 ZINC001235178529 1098859282 /nfs/dbraw/zinc/85/92/82/1098859282.db2.gz VTUGKDALRSIMFY-MRXNPFEDSA-N 0 0 312.816 3.293 20 10 DGCDRN O=C([C@H]1CCC(=O)c2ccccc21)N1CCc2cccc(O)c2C1 ZINC001178924847 1098964276 /nfs/dbraw/zinc/96/42/76/1098964276.db2.gz NBYVGDDWQPZMJE-INIZCTEOSA-N 0 0 321.376 3.037 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1CSc2ccccc2O1 ZINC001179028053 1099005376 /nfs/dbraw/zinc/00/53/76/1099005376.db2.gz JHRVZAJXIAQPRI-GFCCVEGCSA-N 0 0 323.364 3.313 20 10 DGCDRN CN(C)c1ccc(/C=C/CNc2cccc3c2NC(=O)CO3)cc1 ZINC001179430284 1099091428 /nfs/dbraw/zinc/09/14/28/1099091428.db2.gz VNNUBQCQMBMJJZ-SNAWJCMRSA-N 0 0 323.396 3.209 20 10 DGCDRN Cc1cc(C(N)=O)ccc1NCc1cc(Cl)cc(F)c1O ZINC001179707023 1099180671 /nfs/dbraw/zinc/18/06/71/1099180671.db2.gz YDLIELJCPUSLJP-UHFFFAOYSA-N 0 0 308.740 3.204 20 10 DGCDRN CCOC(=O)[C@H]1CCCCN1Cc1cc(Cl)c(C)cc1O ZINC001180086729 1099307508 /nfs/dbraw/zinc/30/75/08/1099307508.db2.gz LSMOLUPILZYXDX-CQSZACIVSA-N 0 0 311.809 3.272 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)N2CC(Oc3ccccc3)C2)cc1 ZINC001180125765 1099322732 /nfs/dbraw/zinc/32/27/32/1099322732.db2.gz PALHQYUOIGDQLC-JLHYYAGUSA-N 0 0 322.408 3.056 20 10 DGCDRN Cc1cc(C(=O)NCc2cccc(Cl)c2O)ccc1[N+](=O)[O-] ZINC001180409530 1099410997 /nfs/dbraw/zinc/41/09/97/1099410997.db2.gz AAPCDRCQHFLSRY-UHFFFAOYSA-N 0 0 320.732 3.192 20 10 DGCDRN Cc1ccc2[nH]cc(CCNC(=O)C3=CC(=O)CS3)c2c1 ZINC001180616987 1099461822 /nfs/dbraw/zinc/46/18/22/1099461822.db2.gz LYTSBMZBEPYIRU-UHFFFAOYSA-N 0 0 300.383 3.216 20 10 DGCDRN COC(=O)[C@@H](C)Cc1ccc(NCc2cccc(F)c2O)cc1 ZINC001180655683 1099485233 /nfs/dbraw/zinc/48/52/33/1099485233.db2.gz ZUDDZECWCZHDTH-LBPRGKRZSA-N 0 0 317.360 3.495 20 10 DGCDRN Oc1ccc(CN2CCOC[C@@H]2c2ccc(Cl)cc2)c(O)c1 ZINC001204278157 1099491373 /nfs/dbraw/zinc/49/13/73/1099491373.db2.gz VQRSUUBIQBWNIC-MRXNPFEDSA-N 0 0 319.788 3.325 20 10 DGCDRN C[C@@H](NC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1O ZINC001187881019 1099633043 /nfs/dbraw/zinc/63/30/43/1099633043.db2.gz GREFMDSOMLXKFY-SNVBAGLBSA-N 0 0 300.314 3.004 20 10 DGCDRN CSc1ccc(NC(=O)NCc2ccc(O)c(O)c2)cc1 ZINC001188126619 1099691076 /nfs/dbraw/zinc/69/10/76/1099691076.db2.gz DFYBVKKDHHSIPQ-UHFFFAOYSA-N 0 0 304.371 3.141 20 10 DGCDRN Cc1[nH]ccc1C(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001188151592 1099699209 /nfs/dbraw/zinc/69/92/09/1099699209.db2.gz LNXYBFAMSHMIFD-XSRZAUOLSA-N 0 0 320.356 3.290 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NS(=O)(=O)C1CCC1 ZINC001188168468 1099701637 /nfs/dbraw/zinc/70/16/37/1099701637.db2.gz YVIOLCUVKLVPDA-MRXNPFEDSA-N 0 0 323.458 3.104 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)Cc1nccnc1Cl ZINC001236615023 1099705146 /nfs/dbraw/zinc/70/51/46/1099705146.db2.gz MXJGFLSTLAUROE-UHFFFAOYSA-N 0 0 316.836 3.362 20 10 DGCDRN [O-]c1c(F)ccc(F)c1CN([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236650698 1099720545 /nfs/dbraw/zinc/72/05/45/1099720545.db2.gz DFEWLOMCPBAPBX-CYBMUJFWSA-N 0 0 310.388 3.167 20 10 DGCDRN Cc1cc(Br)c(O)c(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1 ZINC001236665008 1099731674 /nfs/dbraw/zinc/73/16/74/1099731674.db2.gz ZZOMXQMGTWXHMU-GAFUQQFSSA-N 0 0 314.198 3.253 20 10 DGCDRN C[C@@]1(O)CCCC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236794963 1099789822 /nfs/dbraw/zinc/78/98/22/1099789822.db2.gz YJBPKQKGERGBGK-CQSZACIVSA-N 0 0 304.217 3.436 20 10 DGCDRN O=C1CCN(Cc2cc(OCc3ccccc3)ccc2O)CC1 ZINC001236778892 1099780843 /nfs/dbraw/zinc/78/08/43/1099780843.db2.gz NEJCAKSYAIYHOU-UHFFFAOYSA-N 0 0 311.381 3.136 20 10 DGCDRN CCc1ccc(CN2CC(N(C)C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001236784716 1099783474 /nfs/dbraw/zinc/78/34/74/1099783474.db2.gz ZFFJYPMZVCVCOC-UHFFFAOYSA-N 0 0 320.433 3.006 20 10 DGCDRN CCc1ccc(C[N@@H+]2CCC[C@H](Oc3ccncc3)C2)c(O)c1 ZINC001236787936 1099785992 /nfs/dbraw/zinc/78/59/92/1099785992.db2.gz MGTCBBKLQAFXIU-SFHVURJKSA-N 0 0 312.413 3.393 20 10 DGCDRN COc1cc(O)c(CN2CCC(=O)[C@@H]3CCCC[C@@H]32)c(Cl)c1 ZINC001236797715 1099791552 /nfs/dbraw/zinc/79/15/52/1099791552.db2.gz INNNKGCCZWUWFW-DOMZBBRYSA-N 0 0 323.820 3.388 20 10 DGCDRN COc1ccc(C[N@@H+]2CCC[C@](C)(CO)CC2)c([O-])c1Cl ZINC001236801157 1099794574 /nfs/dbraw/zinc/79/45/74/1099794574.db2.gz GGUOFQHNEOBWPE-INIZCTEOSA-N 0 0 313.825 3.039 20 10 DGCDRN COc1ccc(C[N@H+](CCCCCO)C(C)C)c([O-])c1Cl ZINC001236809903 1099800442 /nfs/dbraw/zinc/80/04/42/1099800442.db2.gz OVRWYIRXJOUXDP-UHFFFAOYSA-N 0 0 315.841 3.427 20 10 DGCDRN COc1cc(C)c(C[N@H+](C)C[C@H]2Cc3ccccc3O2)c(O)c1 ZINC001236815896 1099803244 /nfs/dbraw/zinc/80/32/44/1099803244.db2.gz PGSFYTVAFRKICK-MRXNPFEDSA-N 0 0 313.397 3.145 20 10 DGCDRN [NH3+]C[C@@H]1Cc2ccccc2CN1Cc1cc(F)cc(Cl)c1[O-] ZINC001237028597 1099934428 /nfs/dbraw/zinc/93/44/28/1099934428.db2.gz QGWQANNVJXSYQN-HNNXBMFYSA-N 0 0 320.795 3.070 20 10 DGCDRN CC(C)CC(=O)N1CCN(Cc2ccc(C(C)C)cc2O)CC1 ZINC001237048043 1099941045 /nfs/dbraw/zinc/94/10/45/1099941045.db2.gz CBIFQFQRCSWMRJ-UHFFFAOYSA-N 0 0 318.461 3.206 20 10 DGCDRN COc1cc(O)c(CN2CCC[C@@H]2CF)c(Br)c1 ZINC001237068368 1099954000 /nfs/dbraw/zinc/95/40/00/1099954000.db2.gz PDOHUIIZHBAFIX-SECBINFHSA-N 0 0 318.186 3.097 20 10 DGCDRN COC(=O)[C@@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237078415 1099959464 /nfs/dbraw/zinc/95/94/64/1099959464.db2.gz SLZDDTUOSGOPOU-SECBINFHSA-N 0 0 318.200 3.084 20 10 DGCDRN [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC001237084885 1099965349 /nfs/dbraw/zinc/96/53/49/1099965349.db2.gz QAWHTEMIYCTYFL-UWVGGRQHSA-N 0 0 302.201 3.167 20 10 DGCDRN C[C@]1(CO)CCC[N@H+](Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237122328 1099981026 /nfs/dbraw/zinc/98/10/26/1099981026.db2.gz TXVHZWSMBDLJIJ-HNNXBMFYSA-N 0 0 301.789 3.169 20 10 DGCDRN CO[C@@H]1CCC[N@H+](Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237122017 1099982349 /nfs/dbraw/zinc/98/23/49/1099982349.db2.gz DLOUVCWKCXSIAV-LLVKDONJSA-N 0 0 319.323 3.292 20 10 DGCDRN C[C@@H]1CCN(Cc2c(O)cccc2OC(F)(F)F)CCC1=O ZINC001237120796 1099982870 /nfs/dbraw/zinc/98/28/70/1099982870.db2.gz SEETYGFBAMOCPX-SNVBAGLBSA-N 0 0 317.307 3.092 20 10 DGCDRN CCCn1ccc(C(=O)N(CC)Cc2ccc(N(C)C)cc2)n1 ZINC001189824051 1100137261 /nfs/dbraw/zinc/13/72/61/1100137261.db2.gz VCEBAIUSEHAMMK-UHFFFAOYSA-N 0 0 314.433 3.021 20 10 DGCDRN Cc1cccc(O)c1C[N@H+]1CCCN(c2ncccc2C)CC1 ZINC001237489513 1100141553 /nfs/dbraw/zinc/14/15/53/1100141553.db2.gz IFSHUSLDTPKEAW-UHFFFAOYSA-N 0 0 311.429 3.116 20 10 DGCDRN C[C@H]1C[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C[C@@H]1O ZINC001237642136 1100199154 /nfs/dbraw/zinc/19/91/54/1100199154.db2.gz ZXBRRNODPHSBSK-SGTLLEGYSA-N 0 0 301.361 3.011 20 10 DGCDRN Cc1cc(O)c(CN2CCSCC2)cc1Br ZINC001237679232 1100210919 /nfs/dbraw/zinc/21/09/19/1100210919.db2.gz GMCAPYNVLJYMQD-UHFFFAOYSA-N 0 0 302.237 3.012 20 10 DGCDRN Cc1cc(Cl)cc(CN2CC(Oc3cccnc3)C2)c1O ZINC001237686389 1100215275 /nfs/dbraw/zinc/21/52/75/1100215275.db2.gz IOGRIPQOLYDHNO-UHFFFAOYSA-N 0 0 304.777 3.012 20 10 DGCDRN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001237806370 1100254276 /nfs/dbraw/zinc/25/42/76/1100254276.db2.gz VBIRCVAOAJCXQT-CYBMUJFWSA-N 0 0 321.726 3.185 20 10 DGCDRN C[C@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2[O-])CC[C@@]1(C)O ZINC001237935740 1100297155 /nfs/dbraw/zinc/29/71/55/1100297155.db2.gz YJLLZCIMYIEKBG-ZUZCIYMTSA-N 0 0 301.789 3.168 20 10 DGCDRN Oc1cc(Cl)c(F)cc1CN1CCO[C@H](c2ccncc2)C1 ZINC001237949464 1100302126 /nfs/dbraw/zinc/30/21/26/1100302126.db2.gz MPFHTOCVALBKDA-INIZCTEOSA-N 0 0 322.767 3.153 20 10 DGCDRN Cc1cc(F)cc(C[N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c1O ZINC001238059061 1100346201 /nfs/dbraw/zinc/34/62/01/1100346201.db2.gz ZRRRVRSKQREAGG-ZYHUDNBSSA-N 0 0 309.278 3.420 20 10 DGCDRN Cc1c[nH]c(C(=O)N[C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)n1 ZINC001191109572 1100402376 /nfs/dbraw/zinc/40/23/76/1100402376.db2.gz AKFHCVOITPPFTM-HNNXBMFYSA-N 0 0 313.401 3.094 20 10 DGCDRN O=C(NC1CCCCCC1)N1CCCc2cc(O)c(O)cc2C1 ZINC001191262892 1100431066 /nfs/dbraw/zinc/43/10/66/1100431066.db2.gz OCQFXDHDJLSCLO-UHFFFAOYSA-N 0 0 318.417 3.278 20 10 DGCDRN O=C(NCc1ccccc1O)c1cncc(-c2cccs2)c1 ZINC001191825807 1100530190 /nfs/dbraw/zinc/53/01/90/1100530190.db2.gz FUBXEZRXOVBLTI-UHFFFAOYSA-N 0 0 310.378 3.446 20 10 DGCDRN CCN(CC(=O)N(C)[C@@H](C)CC(C)C)c1ccc(OC)cc1 ZINC001191837907 1100531785 /nfs/dbraw/zinc/53/17/85/1100531785.db2.gz GHBLRCKVGQMMEP-HNNXBMFYSA-N 0 0 306.450 3.415 20 10 DGCDRN O=c1cc(-c2ccc(C3CC3)nc2)ccn1Cc1ccncc1 ZINC001238856628 1100545935 /nfs/dbraw/zinc/54/59/35/1100545935.db2.gz QGBVRBNZMCDNPH-UHFFFAOYSA-N 0 0 303.365 3.231 20 10 DGCDRN CCOc1cc(C)c(-c2ccn(Cc3ccncc3)c(=O)c2)cn1 ZINC001238978321 1100567545 /nfs/dbraw/zinc/56/75/45/1100567545.db2.gz FCLQGWAJYOWCMJ-UHFFFAOYSA-N 0 0 321.380 3.061 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)O[C@@H](C)CC(C)C)C2)cc1 ZINC001192415415 1100614940 /nfs/dbraw/zinc/61/49/40/1100614940.db2.gz DGCOPFGCDRREGE-LSDHHAIUSA-N 0 0 320.433 3.435 20 10 DGCDRN Cc1ccc(/C=C/S(=O)(=O)NCc2cc(C)ccc2O)cc1 ZINC001192732614 1100654583 /nfs/dbraw/zinc/65/45/83/1100654583.db2.gz IIOFXBWZEPDRRI-MDZDMXLPSA-N 0 0 317.410 3.099 20 10 DGCDRN COc1ncc(-c2cc(N3CCc4ccccc43)ncn2)cc1F ZINC001239505084 1100679205 /nfs/dbraw/zinc/67/92/05/1100679205.db2.gz ZHWZAZMQYCTMNC-UHFFFAOYSA-N 0 0 322.343 3.381 20 10 DGCDRN Cc1cc2c(cccc2-c2ccc(CN3CCOCC3)nc2)n1C ZINC001239597089 1100698789 /nfs/dbraw/zinc/69/87/89/1100698789.db2.gz CRDKRMDUWGUANB-UHFFFAOYSA-N 0 0 321.424 3.381 20 10 DGCDRN O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccc(O)c(O)c1Cl ZINC001193246729 1100720398 /nfs/dbraw/zinc/72/03/98/1100720398.db2.gz ASEIICSYQUOEFT-NWDGAFQWSA-N 0 0 321.735 3.176 20 10 DGCDRN COc1ccc(-c2ccn(Cc3ccccc3F)c(=O)c2)cn1 ZINC001239727433 1100735059 /nfs/dbraw/zinc/73/50/59/1100735059.db2.gz CNCHJSGIKWMACN-UHFFFAOYSA-N 0 0 310.328 3.106 20 10 DGCDRN COC(=O)C1=C(C)O[C@@H](CN(C)c2ccc(OC(C)C)cc2)C1 ZINC001193384765 1100736880 /nfs/dbraw/zinc/73/68/80/1100736880.db2.gz MLQSNZBFLDVENZ-MRXNPFEDSA-N 0 0 319.401 3.146 20 10 DGCDRN CCCCOC(=O)NCc1ccc(Br)cc1O ZINC001193722298 1100793447 /nfs/dbraw/zinc/79/34/47/1100793447.db2.gz NNANSAFJFACBOZ-UHFFFAOYSA-N 0 0 302.168 3.181 20 10 DGCDRN CCOC(=O)c1cc2c(cc(C)nc2-c2cncc(F)c2)n1C ZINC001240232943 1100903577 /nfs/dbraw/zinc/90/35/77/1100903577.db2.gz DRZNIJXZAWOENF-UHFFFAOYSA-N 0 0 313.332 3.260 20 10 DGCDRN Cc1cccc(C)c1S(=O)(=O)Nc1ccc(O)c(F)c1F ZINC001194633635 1100977813 /nfs/dbraw/zinc/97/78/13/1100977813.db2.gz BXNFMNKNIHHWIO-UHFFFAOYSA-N 0 0 313.325 3.088 20 10 DGCDRN CC(=O)c1cc(NS(=O)(=O)c2c(C)cccc2C)ccc1O ZINC001194639424 1100979242 /nfs/dbraw/zinc/97/92/42/1100979242.db2.gz RUIKESZZVWCRBL-UHFFFAOYSA-N 0 0 319.382 3.012 20 10 DGCDRN COc1ccc(N2CCN(C(=O)OCCC(C)C)CC2)c(C)c1 ZINC001194870081 1101027501 /nfs/dbraw/zinc/02/75/01/1101027501.db2.gz KBJNTPUMBODBPR-UHFFFAOYSA-N 0 0 320.433 3.308 20 10 DGCDRN CCN(Cc1ccccc1O)C(=O)Oc1ccccc1OC ZINC001195253099 1101106962 /nfs/dbraw/zinc/10/69/62/1101106962.db2.gz IRRRZBRWKBDIAN-UHFFFAOYSA-N 0 0 301.342 3.422 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2nc(-c3ccccc3)c[nH]2)c(O)c1 ZINC001195351209 1101123729 /nfs/dbraw/zinc/12/37/29/1101123729.db2.gz QFIIAKDDDDOLBS-UHFFFAOYSA-N 0 0 321.380 3.329 20 10 DGCDRN COc1ccc(NC(=S)NCc2cc(Cl)ccn2)cc1 ZINC001195666932 1101180070 /nfs/dbraw/zinc/18/00/70/1101180070.db2.gz LEEBEJRRQASTQQ-UHFFFAOYSA-N 0 0 307.806 3.230 20 10 DGCDRN COc1ccc(NC(=S)N2CCc3cccc(O)c3C2)cc1 ZINC001195696665 1101182591 /nfs/dbraw/zinc/18/25/91/1101182591.db2.gz YKDZWBMMYHZETA-UHFFFAOYSA-N 0 0 314.410 3.156 20 10 DGCDRN Cn1ccc(-c2cnc3cc(C(F)(F)F)ccc3n2)cc1=O ZINC001240975139 1101205023 /nfs/dbraw/zinc/20/50/23/1101205023.db2.gz YKCGNDCLBYUHSS-UHFFFAOYSA-N 0 0 305.259 3.014 20 10 DGCDRN Cn1ccc(-c2ccc(OCc3ccccc3F)nc2)cc1=O ZINC001240996418 1101213868 /nfs/dbraw/zinc/21/38/68/1101213868.db2.gz ZUBYIWVJLMVANA-UHFFFAOYSA-N 0 0 310.328 3.165 20 10 DGCDRN Cn1ccc(-c2ccc(OCc3cccc(F)c3)nc2)cc1=O ZINC001240998470 1101215933 /nfs/dbraw/zinc/21/59/33/1101215933.db2.gz VUMTUHZTTAUCLM-UHFFFAOYSA-N 0 0 310.328 3.165 20 10 DGCDRN COc1ccccc1NC(=S)NCc1cccc(C)c1O ZINC001196277625 1101279088 /nfs/dbraw/zinc/27/90/88/1101279088.db2.gz BBYDTHSIEFIQBA-UHFFFAOYSA-N 0 0 302.399 3.196 20 10 DGCDRN CN(C)c1ccc(-c2ccn(Cc3ccc(F)cc3)c(=O)c2)cn1 ZINC001241372226 1101410478 /nfs/dbraw/zinc/41/04/78/1101410478.db2.gz JGXIZYQLCHNZJL-UHFFFAOYSA-N 0 0 323.371 3.164 20 10 DGCDRN O=c1cc(-c2ccc(N3CCCC3)nc2)ccn1CC(F)(F)F ZINC001241377533 1101416680 /nfs/dbraw/zinc/41/66/80/1101416680.db2.gz BWVAYTFMLOAPBN-UHFFFAOYSA-N 0 0 323.318 3.073 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2cc(Cl)c(C)cn2)c(O)c1 ZINC001197298804 1101520148 /nfs/dbraw/zinc/52/01/48/1101520148.db2.gz SOUGYKODZXQTMQ-UHFFFAOYSA-N 0 0 304.777 3.296 20 10 DGCDRN COc1cccnc1CNC(=S)Nc1ccc(Cl)cc1 ZINC001197346207 1101533891 /nfs/dbraw/zinc/53/38/91/1101533891.db2.gz CUGZRLPYANTQNW-UHFFFAOYSA-N 0 0 307.806 3.230 20 10 DGCDRN Cn1c2ccccc2c(-c2cnc(N)cc2C(F)(F)F)cc1=O ZINC001241684336 1101633841 /nfs/dbraw/zinc/63/38/41/1101633841.db2.gz GEHNARHTEHKRTK-UHFFFAOYSA-N 0 0 319.286 3.202 20 10 DGCDRN Cn1ccc2c1cccc2-c1ccccc1N1C(=O)C=CC1=O ZINC001241823227 1101728802 /nfs/dbraw/zinc/72/88/02/1101728802.db2.gz YUEIVZTWJBPPBF-UHFFFAOYSA-N 0 0 302.333 3.275 20 10 DGCDRN Cn1ccc2c1cccc2-c1ccc(=O)n(Cc2cccnc2)c1 ZINC001241823679 1101729732 /nfs/dbraw/zinc/72/97/32/1101729732.db2.gz BNBMSTFLLCSMSA-UHFFFAOYSA-N 0 0 315.376 3.450 20 10 DGCDRN Cn1ccc2c1cccc2-c1ccc(=O)n(-c2ccncc2)c1 ZINC001241824537 1101731026 /nfs/dbraw/zinc/73/10/26/1101731026.db2.gz QEGVCRIQUHJWMU-UHFFFAOYSA-N 0 0 301.349 3.391 20 10 DGCDRN Cn1ccc2c1cccc2-c1ccc(=O)n(-c2ccccn2)c1 ZINC001241823686 1101731041 /nfs/dbraw/zinc/73/10/41/1101731041.db2.gz BVENHXGLHMOHKY-UHFFFAOYSA-N 0 0 301.349 3.391 20 10 DGCDRN COc1ccnc(CNC(=S)Nc2c(C)cccc2C)c1 ZINC001198373353 1101836105 /nfs/dbraw/zinc/83/61/05/1101836105.db2.gz OTYVOJIJBOECBX-UHFFFAOYSA-N 0 0 301.415 3.194 20 10 DGCDRN Cc1c(C)n(Cc2ccco2)c2ncnc(-c3ccnnc3)c12 ZINC001242046342 1101876685 /nfs/dbraw/zinc/87/66/85/1101876685.db2.gz DPYZWLVWPDEWDD-UHFFFAOYSA-N 0 0 305.341 3.146 20 10 DGCDRN Fc1ccccc1Cn1ccc2c1ncnc2-c1ccnnc1 ZINC001242046140 1101877042 /nfs/dbraw/zinc/87/70/42/1101877042.db2.gz HRHZBZCUBUVYRS-UHFFFAOYSA-N 0 0 305.316 3.076 20 10 DGCDRN CCOc1ccnc(CNC(=S)Nc2cccc(C)c2)c1 ZINC001198711367 1101969765 /nfs/dbraw/zinc/96/97/65/1101969765.db2.gz QYDDEWCDENJSRL-UHFFFAOYSA-N 0 0 301.415 3.275 20 10 DGCDRN O=c1cc(-c2ccc(OCC3CC3)nc2)ccn1CC(F)(F)F ZINC001242215190 1101986732 /nfs/dbraw/zinc/98/67/32/1101986732.db2.gz LMTKSVUDKNIHGK-UHFFFAOYSA-N 0 0 324.302 3.261 20 10 DGCDRN Nc1cncc(-c2ncnc3c2ccn3Cc2ccc(F)cc2)c1 ZINC001242497771 1102172583 /nfs/dbraw/zinc/17/25/83/1102172583.db2.gz UYZURQYNAKIZRQ-UHFFFAOYSA-N 0 0 319.343 3.263 20 10 DGCDRN CN(C)c1ccc(CNC(=S)NCC2CCCCC2)cc1 ZINC001199932863 1102254594 /nfs/dbraw/zinc/25/45/94/1102254594.db2.gz NUGZISKWYRUJEP-UHFFFAOYSA-N 0 0 305.491 3.297 20 10 DGCDRN CCOc1cncc(-c2ccn(Cc3ccccc3F)c(=O)c2)c1 ZINC001242659545 1102268968 /nfs/dbraw/zinc/26/89/68/1102268968.db2.gz PANWRZARTCCQIP-UHFFFAOYSA-N 0 0 324.355 3.496 20 10 DGCDRN CC(C)(C)NC(=S)Nc1ccccc1C(=O)c1ccncc1 ZINC001200913962 1102433703 /nfs/dbraw/zinc/43/37/03/1102433703.db2.gz MWZKUTYZQULTCJ-UHFFFAOYSA-N 0 0 313.426 3.398 20 10 DGCDRN CCOc1cccc(CNC(=S)Nc2ccc(F)c(C)c2)n1 ZINC001201049950 1102484000 /nfs/dbraw/zinc/48/40/00/1102484000.db2.gz UVBICNJAJUHAMQ-UHFFFAOYSA-N 0 0 319.405 3.414 20 10 DGCDRN Fc1cnc(CNC(=S)Nc2cccc(Cl)c2)c(F)c1 ZINC001201107524 1102488799 /nfs/dbraw/zinc/48/87/99/1102488799.db2.gz YKEIWCRIPMSXDK-UHFFFAOYSA-N 0 0 313.760 3.500 20 10 DGCDRN COC(=O)c1cncc(-c2cc(N(C)c3ccccc3)ncn2)c1 ZINC001243145113 1102551492 /nfs/dbraw/zinc/55/14/92/1102551492.db2.gz DTAAPNYPLYDSMX-UHFFFAOYSA-N 0 0 320.352 3.093 20 10 DGCDRN CSc1ncc(-c2nnc(C)cc2-c2nccn2C)cc1C ZINC001243143290 1102551646 /nfs/dbraw/zinc/55/16/46/1102551646.db2.gz FMBYSHWBKSLFGH-UHFFFAOYSA-N 0 0 311.414 3.278 20 10 DGCDRN CC(C)[C@@H](O)C1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001201684211 1102703557 /nfs/dbraw/zinc/70/35/57/1102703557.db2.gz GDRBUTFAXVFWLF-CQSZACIVSA-N 0 0 301.789 3.071 20 10 DGCDRN Cc1ccc(NCc2cc(F)c(N(C)C)cc2F)c(N(C)C)n1 ZINC001201795214 1102729802 /nfs/dbraw/zinc/72/98/02/1102729802.db2.gz SKLZPYGSUZBLDW-UHFFFAOYSA-N 0 0 320.387 3.412 20 10 DGCDRN CN(C)c1ccc(CN[C@@H]2COc3cc(F)cc(F)c32)cc1F ZINC001201962918 1102774202 /nfs/dbraw/zinc/77/42/02/1102774202.db2.gz IQLDJOUJVBPIBE-CQSZACIVSA-N 0 0 322.330 3.393 20 10 DGCDRN CCN(Cc1ccccc1O)C(=O)Nc1ccccc1OC ZINC001202124636 1102843980 /nfs/dbraw/zinc/84/39/80/1102843980.db2.gz JSCAOUAUBKRPIR-UHFFFAOYSA-N 0 0 300.358 3.455 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H](CO)CC1CCCC1 ZINC001202159861 1102864474 /nfs/dbraw/zinc/86/44/74/1102864474.db2.gz WJNLRTAOIQZTCD-LLVKDONJSA-N 0 0 301.789 3.216 20 10 DGCDRN Cc1cc(NC(=O)N2Cc3cccc(O)c3C2)cc2n[nH]cc21 ZINC001202188635 1102881632 /nfs/dbraw/zinc/88/16/32/1102881632.db2.gz QAMSDCYKNWHQFC-UHFFFAOYSA-N 0 0 308.341 3.125 20 10 DGCDRN COc1nccc(SC)c1-c1nc(C)nc2c1ccn2C ZINC001243703256 1102926263 /nfs/dbraw/zinc/92/62/63/1102926263.db2.gz JMBVDGNPGSMAPD-UHFFFAOYSA-N 0 0 300.387 3.069 20 10 DGCDRN COc1ncc(-c2nc(C)nc3c2ccn3C)cc1C(F)(F)F ZINC001243740627 1102950708 /nfs/dbraw/zinc/95/07/08/1102950708.db2.gz GYIYGKURZQBJDU-UHFFFAOYSA-N 0 0 322.290 3.366 20 10 DGCDRN O=c1cc(-c2cc(C3CC3)cnc2F)ccn1Cc1ccncc1 ZINC001243874736 1103022964 /nfs/dbraw/zinc/02/29/64/1103022964.db2.gz QUTOXXFOUSKULQ-UHFFFAOYSA-N 0 0 321.355 3.370 20 10 DGCDRN C[C@@H]1C[C@H](C[NH2+]Cc2cccc(Br)c2[O-])[C@H](C)O1 ZINC000686514134 1103048578 /nfs/dbraw/zinc/04/85/78/1103048578.db2.gz XMLMVTDIUWWHNG-JFGNBEQYSA-N 0 0 314.223 3.058 20 10 DGCDRN COc1cc(CN2CCOc3cc(N(C)C)ccc32)ccc1F ZINC001325555711 1103063946 /nfs/dbraw/zinc/06/39/46/1103063946.db2.gz WFMVGPRBKOSMIT-UHFFFAOYSA-N 0 0 316.376 3.299 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Cc1ccccc1 ZINC001325556056 1103065318 /nfs/dbraw/zinc/06/53/18/1103065318.db2.gz RMSSXIXHZPWRRX-MRXNPFEDSA-N 0 0 310.441 3.351 20 10 DGCDRN O=C(NCCCSc1nccs1)[C@@H]1CCC[C@@H](F)C1 ZINC001325877742 1103144770 /nfs/dbraw/zinc/14/47/70/1103144770.db2.gz GYSZGUMJAYCFLN-GHMZBOCLSA-N 0 0 302.440 3.270 20 10 DGCDRN Cc1cc(-c2nccn2C)c(-c2cc(C3CC3)cnc2C)nn1 ZINC001244141233 1103231864 /nfs/dbraw/zinc/23/18/64/1103231864.db2.gz SDBDOBDBTFVIRO-UHFFFAOYSA-N 0 0 305.385 3.433 20 10 DGCDRN O=C(Cc1cccc(F)c1F)Nc1c2nonc2ccc1Cl ZINC001327167595 1103564117 /nfs/dbraw/zinc/56/41/17/1103564117.db2.gz SFJXDAXZWJWDKJ-UHFFFAOYSA-N 0 0 323.686 3.336 20 10 DGCDRN CC(C)CCO[C@@H](C)C(=O)Nc1c2nonc2ccc1Cl ZINC001327167984 1103564567 /nfs/dbraw/zinc/56/45/67/1103564567.db2.gz VMZIXYWKNYITGM-VIFPVBQESA-N 0 0 311.769 3.266 20 10 DGCDRN Cc1ncc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])n1C ZINC000689225694 1103855325 /nfs/dbraw/zinc/85/53/25/1103855325.db2.gz JOMWWAVCSOHKNO-UHFFFAOYSA-N 0 0 300.189 3.031 20 10 DGCDRN Cc1nc2c(ccn2C)c(-c2cncn2Cc2ccccc2)n1 ZINC001245194720 1103900947 /nfs/dbraw/zinc/90/09/47/1103900947.db2.gz VFFFLXDRMIGNFF-UHFFFAOYSA-N 0 0 303.369 3.189 20 10 DGCDRN CC(C)Oc1ncc(-c2cc(N(C)c3ccccc3)ncn2)cn1 ZINC001245259874 1103944866 /nfs/dbraw/zinc/94/48/66/1103944866.db2.gz ZYWFDQTZATXYTP-UHFFFAOYSA-N 0 0 321.384 3.489 20 10 DGCDRN C[C@H](NC(=S)NCCc1ccccc1)c1ccccc1O ZINC001245343964 1103995022 /nfs/dbraw/zinc/99/50/22/1103995022.db2.gz UZOOLJQTSGKZCS-ZDUSSCGKSA-N 0 0 300.427 3.160 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2ccc3c(c2)OCC(=O)N3)cn1 ZINC001245454725 1104068193 /nfs/dbraw/zinc/06/81/93/1104068193.db2.gz WUQVKJLSABLZSQ-UHFFFAOYSA-N 0 0 319.364 3.487 20 10 DGCDRN COC(=O)c1cc2ccc(-c3cnc(N)c(Cl)c3)cc2n1C ZINC001245566040 1104127299 /nfs/dbraw/zinc/12/72/99/1104127299.db2.gz GEPVAUBVTVETDY-UHFFFAOYSA-N 0 0 315.760 3.263 20 10 DGCDRN C[C@@H](CC(=O)NCc1ccc2c(c1)CCCN2C)c1ccco1 ZINC001329207825 1104188987 /nfs/dbraw/zinc/18/89/87/1104188987.db2.gz BKDIBYKLPRMGBR-AWEZNQCLSA-N 0 0 312.413 3.472 20 10 DGCDRN Cc1cccnc1/C=C\C(=O)Nc1c2nonc2ccc1Cl ZINC001329519021 1104296442 /nfs/dbraw/zinc/29/64/42/1104296442.db2.gz PQDZZBJPISQJCQ-SREVYHEPSA-N 0 0 314.732 3.232 20 10 DGCDRN CC[C@H](C)N1C[C@]2(CC1=O)CCCCN2c1ccc(OC)cc1 ZINC001274790858 1104490293 /nfs/dbraw/zinc/49/02/93/1104490293.db2.gz MIOXXLIZCMSXEP-HNAYVOBHSA-N 0 0 316.445 3.455 20 10 DGCDRN CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2c1ccc(OC)cc1 ZINC001274790815 1104490366 /nfs/dbraw/zinc/49/03/66/1104490366.db2.gz LZWOOJNHGICPPC-IAOVAPTHSA-N 0 0 302.418 3.063 20 10 DGCDRN CCOc1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC(C)C)cc1 ZINC001274799787 1104494839 /nfs/dbraw/zinc/49/48/39/1104494839.db2.gz VAZBBWAXOBFPCK-QZTJIDSGSA-N 0 0 316.445 3.311 20 10 DGCDRN CC[C@H](C)N1CC[C@@]2(CCCN2c2ccc(OC)cc2)C1=O ZINC001274792015 1104497952 /nfs/dbraw/zinc/49/79/52/1104497952.db2.gz XXJUPSFMIJOFCT-KSSFIOAISA-N 0 0 302.418 3.065 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC000718242608 1104548262 /nfs/dbraw/zinc/54/82/62/1104548262.db2.gz IPXHGYRSHIGURI-VWUVDNNOSA-N 0 0 314.212 3.308 20 10 DGCDRN Cc1cc(O)c(CNCc2nnc(C(C)(C)C)[nH]2)cc1Cl ZINC001330807684 1104651243 /nfs/dbraw/zinc/65/12/43/1104651243.db2.gz GGPQYJAESDSZBK-UHFFFAOYSA-N 0 0 308.813 3.059 20 10 DGCDRN CS[C@H]1CC[C@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001330852347 1104662299 /nfs/dbraw/zinc/66/22/99/1104662299.db2.gz DBKKBCYDRDWHSC-STQMWFEESA-N 0 0 320.418 3.205 20 10 DGCDRN [O-]c1c(F)ccc(F)c1CN1CC[C@H]2[C@@H]1CC[N@@H+]2C1CCCC1 ZINC001275362005 1104736443 /nfs/dbraw/zinc/73/64/43/1104736443.db2.gz CSMHSBKHUFORHW-IRXDYDNUSA-N 0 0 322.399 3.262 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2noc(Cn3cccn3)n2)cc1 ZINC001247064003 1104791103 /nfs/dbraw/zinc/79/11/03/1104791103.db2.gz HRAGAOPOXOXDEO-UHFFFAOYSA-N 0 0 319.368 3.389 20 10 DGCDRN Cc1ccc(CNC(=S)Nc2c(F)cc(F)cc2F)nc1 ZINC001247437412 1104902138 /nfs/dbraw/zinc/90/21/38/1104902138.db2.gz ACUKSNBVXSXGNV-UHFFFAOYSA-N 0 0 311.332 3.294 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2noc(CC(C)(C)O)n2)cc1 ZINC001247436077 1104902423 /nfs/dbraw/zinc/90/24/23/1104902423.db2.gz YXHPATXHVAZCLA-UHFFFAOYSA-N 0 0 311.385 3.458 20 10 DGCDRN CCOC(=O)[C@]1(C)CCCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001138123926 1105001437 /nfs/dbraw/zinc/00/14/37/1105001437.db2.gz RUHWYESBKYEFOP-QGZVFWFLSA-N 0 0 309.381 3.087 20 10 DGCDRN Cc1c(F)cccc1-c1noc(Cc2ccc(O)c(O)c2)n1 ZINC001247959822 1105021327 /nfs/dbraw/zinc/02/13/27/1105021327.db2.gz ZRGKZUQOTBXIRS-UHFFFAOYSA-N 0 0 300.289 3.186 20 10 DGCDRN Oc1ccc(Cc2nc(-c3ccc(F)cc3F)no2)cc1O ZINC001247959532 1105021827 /nfs/dbraw/zinc/02/18/27/1105021827.db2.gz SVITUCBKEGONKF-UHFFFAOYSA-N 0 0 304.252 3.017 20 10 DGCDRN Oc1ccc(Cc2nc(-c3cncc4ccccc43)no2)cc1O ZINC001247960295 1105022024 /nfs/dbraw/zinc/02/20/24/1105022024.db2.gz AQMRORLCOSCPNX-UHFFFAOYSA-N 0 0 319.320 3.287 20 10 DGCDRN CC(C)Oc1ccc(-c2noc(Cc3ccc(N)cc3)n2)cn1 ZINC001248184179 1105062329 /nfs/dbraw/zinc/06/23/29/1105062329.db2.gz PVKQQLMWEFLSHW-UHFFFAOYSA-N 0 0 310.357 3.092 20 10 DGCDRN Cc1cc(F)cc(-c2noc(Cc3ccc(N)cc3)n2)c1F ZINC001248184071 1105062393 /nfs/dbraw/zinc/06/23/93/1105062393.db2.gz MMEUQPUEBNWNMI-UHFFFAOYSA-N 0 0 301.296 3.496 20 10 DGCDRN Nc1ccc(Cc2nc(-c3cccc(C(F)(F)F)n3)no2)cc1 ZINC001248184183 1105062812 /nfs/dbraw/zinc/06/28/12/1105062812.db2.gz PXCXLUHERJNVFV-UHFFFAOYSA-N 0 0 320.274 3.323 20 10 DGCDRN Nc1ccc(Cc2nc(-c3ccnc4ccccc43)no2)cc1 ZINC001248184191 1105063067 /nfs/dbraw/zinc/06/30/67/1105063067.db2.gz QCQXVROLEJNHMP-UHFFFAOYSA-N 0 0 302.337 3.458 20 10 DGCDRN Cc1nc(CN2CCCc3cc(O)c(O)cc3C2)ccc1Cl ZINC001248875445 1105183425 /nfs/dbraw/zinc/18/34/25/1105183425.db2.gz DCDWVCPMZRAIII-UHFFFAOYSA-N 0 0 318.804 3.403 20 10 DGCDRN Cc1ccc(F)cc1-c1noc(CCc2ccc(O)c(O)c2)n1 ZINC001248984091 1105209295 /nfs/dbraw/zinc/20/92/95/1105209295.db2.gz MENPRCQGMTYPOX-UHFFFAOYSA-N 0 0 314.316 3.381 20 10 DGCDRN CC1(C)C=Cc2c(O)c(CN3Cc4cccnc4C3)ccc2O1 ZINC001249223443 1105249603 /nfs/dbraw/zinc/24/96/03/1105249603.db2.gz GNAXTKRYMCAAQP-UHFFFAOYSA-N 0 0 308.381 3.487 20 10 DGCDRN CCCOC1CN(Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249244790 1105256761 /nfs/dbraw/zinc/25/67/61/1105256761.db2.gz NBXPFDFSYXCPFC-UHFFFAOYSA-N 0 0 303.402 3.187 20 10 DGCDRN Cc1cc(CN2CC(C(F)F)C2)c(O)cc1Br ZINC001250135483 1105451075 /nfs/dbraw/zinc/45/10/75/1105451075.db2.gz BCTJSYJLGSPATM-UHFFFAOYSA-N 0 0 306.150 3.160 20 10 DGCDRN COc1cc(-c2nc3c(cc(F)c(F)c3F)[nH]2)cc(O)c1O ZINC001250488173 1105523063 /nfs/dbraw/zinc/52/30/63/1105523063.db2.gz FOXYYUNJSNWCKS-UHFFFAOYSA-N 0 0 310.231 3.067 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(C)c(C=O)s2)c1 ZINC001137473585 1105529002 /nfs/dbraw/zinc/52/90/02/1105529002.db2.gz OKAQHRYJGZCZAH-JTQLQIEISA-N 0 0 319.382 3.074 20 10 DGCDRN COc1ccc2[nH]c(-c3ccc(N4CCOCC4)cc3)nc2c1 ZINC001250702908 1105563376 /nfs/dbraw/zinc/56/33/76/1105563376.db2.gz QDFXOIWWEAGTPH-UHFFFAOYSA-N 0 0 309.369 3.075 20 10 DGCDRN CCOc1ccc2[nH]c(-c3ccc(N4CCOCC4)cc3)nc2c1 ZINC001250702712 1105563746 /nfs/dbraw/zinc/56/37/46/1105563746.db2.gz IIUKGRJVHHPNOG-UHFFFAOYSA-N 0 0 323.396 3.465 20 10 DGCDRN COc1ccc(-c2nnc(-c3ccc(O)c(O)c3Cl)o2)cc1 ZINC001252029907 1105728513 /nfs/dbraw/zinc/72/85/13/1105728513.db2.gz YLAXFMVOJUNTCS-UHFFFAOYSA-N 0 0 318.716 3.477 20 10 DGCDRN COc1cccc(-c2nnc(-c3cc4cc(O)c(O)cc4[nH]3)o2)c1 ZINC001253270781 1105916814 /nfs/dbraw/zinc/91/68/14/1105916814.db2.gz MNNLPBWSTJIOMI-UHFFFAOYSA-N 0 0 323.308 3.305 20 10 DGCDRN CC(C)[C@@H](O)CNc1ccccc1C(=O)c1ccc(F)cc1 ZINC001253752149 1105980145 /nfs/dbraw/zinc/98/01/45/1105980145.db2.gz ICOPEAGGCPFCBQ-KRWDZBQOSA-N 0 0 301.361 3.486 20 10 DGCDRN CC(C)[C@@H](O)CNc1ccc(Cl)cc1C(=O)c1ccccn1 ZINC001253772938 1105983644 /nfs/dbraw/zinc/98/36/44/1105983644.db2.gz CDTCNCYLATWMNF-INIZCTEOSA-N 0 0 318.804 3.395 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)CCC3CCC3)CC2)cc1 ZINC001253863032 1105997462 /nfs/dbraw/zinc/99/74/62/1105997462.db2.gz ATVMPGXWKWVBIZ-UHFFFAOYSA-N 0 0 316.445 3.314 20 10 DGCDRN CCOc1ccc(CN2Cc3ccc([N+](=O)[O-])cc3C2)c(O)c1 ZINC001254018279 1106010510 /nfs/dbraw/zinc/01/05/10/1106010510.db2.gz GXTBNBVCIDGQJQ-UHFFFAOYSA-N 0 0 314.341 3.215 20 10 DGCDRN COc1cc(-c2nnc([C@H]3C[C@@H]3c3ccccc3)o2)cc(O)c1O ZINC001254699637 1106134746 /nfs/dbraw/zinc/13/47/46/1106134746.db2.gz YXEOWRRBQJLEIW-OLZOCXBDSA-N 0 0 324.336 3.428 20 10 DGCDRN Cc1ccc(C)c(S(=O)(=O)Nc2cc(F)c(O)c(F)c2)c1 ZINC001254786381 1106141959 /nfs/dbraw/zinc/14/19/59/1106141959.db2.gz KTOMTMWTZRXKSZ-UHFFFAOYSA-N 0 0 313.325 3.088 20 10 DGCDRN Cc1ccc(C)c(S(=O)(=O)Nc2c(C)cc(O)cc2C)c1 ZINC001254794505 1106142739 /nfs/dbraw/zinc/14/27/39/1106142739.db2.gz SHYWCSZOWMVGQH-UHFFFAOYSA-N 0 0 305.399 3.427 20 10 DGCDRN CCCc1ccc(S(=O)(=O)NCc2cccc(C)c2O)cc1 ZINC001255252978 1106210606 /nfs/dbraw/zinc/21/06/06/1106210606.db2.gz VGRMZILQWLAFJI-UHFFFAOYSA-N 0 0 319.426 3.132 20 10 DGCDRN COC[C@H](C)n1ccc(NCc2ccc(N3CCCC3)cc2)n1 ZINC001255272793 1106213386 /nfs/dbraw/zinc/21/33/86/1106213386.db2.gz LCEWAZTXOGNQTO-HNNXBMFYSA-N 0 0 314.433 3.303 20 10 DGCDRN CCCCC[C@H](CC)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OC ZINC001258430539 1106741213 /nfs/dbraw/zinc/74/12/13/1106741213.db2.gz PETZZZCEISKWGC-GJZGRUSLSA-N 0 0 323.433 3.130 20 10 DGCDRN Cc1ccccc1Cc1nnc([C@@H](O)c2ccc(N(C)C)cc2)o1 ZINC001258429708 1106741731 /nfs/dbraw/zinc/74/17/31/1106741731.db2.gz MXNCOBWZFFTDLA-SFHVURJKSA-N 0 0 323.396 3.117 20 10 DGCDRN CC(C)CNC(=O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC001320130431 1106891258 /nfs/dbraw/zinc/89/12/58/1106891258.db2.gz KSNSVLRCAMMBBF-VIFPVBQESA-N 0 0 319.232 3.122 20 10 DGCDRN CCCC[C@@H](CCC)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OC ZINC001258753352 1106955393 /nfs/dbraw/zinc/95/53/93/1106955393.db2.gz JCYYYVCTMNNGRP-CABCVRRESA-N 0 0 323.433 3.130 20 10 DGCDRN Cc1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2C)cc1C ZINC001259167439 1107087800 /nfs/dbraw/zinc/08/78/00/1107087800.db2.gz WNMUVAXYUAQCAX-UHFFFAOYSA-N 0 0 305.399 3.427 20 10 DGCDRN Cc1c(C)c(NS(=O)(=O)Cc2ccc(F)cc2)ccc1O ZINC001259253270 1107105459 /nfs/dbraw/zinc/10/54/59/1107105459.db2.gz RPIWPFAPCGGZCU-UHFFFAOYSA-N 0 0 309.362 3.090 20 10 DGCDRN CCCCC[C@H](NCc1ccc(N2CCCC2)cc1)C(=O)OC ZINC001320795130 1107141371 /nfs/dbraw/zinc/14/13/71/1107141371.db2.gz QACBVPVLTRZQAU-SFHVURJKSA-N 0 0 318.461 3.498 20 10 DGCDRN Cc1cccc(CS(=O)(=O)Nc2ccc(O)c(Cl)c2)c1 ZINC001259748388 1107189390 /nfs/dbraw/zinc/18/93/90/1107189390.db2.gz LOXQGLHCFOYZSY-UHFFFAOYSA-N 0 0 311.790 3.296 20 10 DGCDRN CC(C)CS(=O)(=O)Nc1cccc2c1C(=O)c1ccccc1-2 ZINC001259886469 1107219865 /nfs/dbraw/zinc/21/98/65/1107219865.db2.gz COJCEYWUDDSHSI-UHFFFAOYSA-N 0 0 315.394 3.296 20 10 DGCDRN CCN(Cc1ccccc1O)S(=O)(=O)Cc1ccccc1C ZINC001260020111 1107238377 /nfs/dbraw/zinc/23/83/77/1107238377.db2.gz DJSMRHUENCPPDU-UHFFFAOYSA-N 0 0 319.426 3.053 20 10 DGCDRN Cc1ccccc1/N=N/c1ccc(NS(N)(=O)=O)c(C)c1 ZINC001260080546 1107248390 /nfs/dbraw/zinc/24/83/90/1107248390.db2.gz GZFXOEZNFRSWRS-WUKNDPDISA-N 0 0 304.375 3.334 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccnc(OC)c1 ZINC001321424477 1107346514 /nfs/dbraw/zinc/34/65/14/1107346514.db2.gz YCWKRPGSTGYQNE-UHFFFAOYSA-N 0 0 314.385 3.238 20 10 DGCDRN CCOC(=O)C[C@H]1CCC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC001321863031 1107451673 /nfs/dbraw/zinc/45/16/73/1107451673.db2.gz HKEKNXYNVNDGAP-SNVBAGLBSA-N 0 0 315.772 3.102 20 10 DGCDRN CCCOc1ccc(C[NH2+]C[C@H](CC(=O)[O-])C(F)F)cc1C ZINC001261890111 1107557408 /nfs/dbraw/zinc/55/74/08/1107557408.db2.gz USIDHHSZFBHFJG-ZDUSSCGKSA-N 0 0 315.360 3.229 20 10 DGCDRN CSC1CCN(C(=O)NCc2ccc(N(C)C)cc2C)CC1 ZINC001261960902 1107563397 /nfs/dbraw/zinc/56/33/97/1107563397.db2.gz KNKXBQYXGCWTAJ-UHFFFAOYSA-N 0 0 321.490 3.098 20 10 DGCDRN Cc1ncc(C)c(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC001262018425 1107578002 /nfs/dbraw/zinc/57/80/02/1107578002.db2.gz HXQRFOBIKIMDJH-LBPRGKRZSA-N 0 0 313.405 3.042 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)C(C)(C)C(F)(F)F)cc1 ZINC001263703202 1108164336 /nfs/dbraw/zinc/16/43/36/1108164336.db2.gz MMCOSONDVRHRKR-UHFFFAOYSA-N 0 0 302.340 3.300 20 10 DGCDRN Cc1cccc2nc(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)cn21 ZINC001324138620 1108187400 /nfs/dbraw/zinc/18/74/00/1108187400.db2.gz HUQAVGSDWHWDRZ-CQSZACIVSA-N 0 0 322.412 3.200 20 10 DGCDRN CCCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cc(O)ccc1O ZINC001318851706 1108217327 /nfs/dbraw/zinc/21/73/27/1108217327.db2.gz VNXWRTLWJFOBLX-INIZCTEOSA-N 0 0 318.417 3.031 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1Cc2cccnc2C1 ZINC001263819933 1108232947 /nfs/dbraw/zinc/23/29/47/1108232947.db2.gz HHEHQZAYTZWYIG-KRWDZBQOSA-N 0 0 324.424 3.331 20 10 DGCDRN C[C@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccc(F)c(F)c1 ZINC001319077285 1108303798 /nfs/dbraw/zinc/30/37/98/1108303798.db2.gz AZOKQCVLQXMBNS-LBPRGKRZSA-N 0 0 318.367 3.451 20 10 DGCDRN CN(C)c1ccc(CNC(=O)/C=C\COc2ccccc2)cc1 ZINC001264262221 1108449750 /nfs/dbraw/zinc/44/97/50/1108449750.db2.gz XQGLNEZODOKKIT-TWGQIWQCSA-N 0 0 310.397 3.004 20 10 DGCDRN O=C1NCCc2ccc(NCc3ccc(N4CCCC4)cc3)cc21 ZINC001319619323 1108558254 /nfs/dbraw/zinc/55/82/54/1108558254.db2.gz WCXQXIFRYKCWAZ-UHFFFAOYSA-N 0 0 321.424 3.185 20 10 DGCDRN Cc1ccc(/C=C\C(=O)Nc2c3nonc3ccc2Cl)cn1 ZINC001325345191 1108628408 /nfs/dbraw/zinc/62/84/08/1108628408.db2.gz LGSJUWIROOTGMI-DAXSKMNVSA-N 0 0 314.732 3.232 20 10 DGCDRN C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1cccnc1 ZINC001290219800 1110238212 /nfs/dbraw/zinc/23/82/12/1110238212.db2.gz PJNKJKOKAASWDN-SECBINFHSA-N 0 0 314.366 3.199 20 10 DGCDRN Cc1ccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)c(C)c1 ZINC001290744824 1110256465 /nfs/dbraw/zinc/25/64/65/1110256465.db2.gz YWSYSIXVMJHHDN-UHFFFAOYSA-N 0 0 310.357 3.396 20 10 DGCDRN CCN(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001290758489 1110257912 /nfs/dbraw/zinc/25/79/12/1110257912.db2.gz VKEFVBZECGVUGL-UHFFFAOYSA-N 0 0 319.788 3.342 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@@H]1C[C@@H]1C ZINC001290932209 1110263153 /nfs/dbraw/zinc/26/31/53/1110263153.db2.gz ZNNCOCMPJQFOFO-WFASDCNBSA-N 0 0 310.397 3.292 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)NC1CCC(C2CCC2)CC1 ZINC001301094486 1111081739 /nfs/dbraw/zinc/08/17/39/1111081739.db2.gz OAUPHYMMLSWKFU-UHFFFAOYSA-N 0 0 303.402 3.115 20 10 DGCDRN CC(C)Cc1cc(C(=O)N[C@@H](C)c2ccccc2O)cc(=O)[nH]1 ZINC001302537994 1111117090 /nfs/dbraw/zinc/11/70/90/1111117090.db2.gz CLVYHURQUBCMEN-LBPRGKRZSA-N 0 0 314.385 3.182 20 10 DGCDRN C[C@@H](NC(=O)c1oc2ccccc2c1CO)c1ccccc1O ZINC001302532578 1111117407 /nfs/dbraw/zinc/11/74/07/1111117407.db2.gz JRUSYHCLWQQPOQ-LLVKDONJSA-N 0 0 311.337 3.122 20 10 DGCDRN O=C(Cc1ccc(F)cc1Cl)N1Cc2cccc(O)c2C1 ZINC001302786895 1111125540 /nfs/dbraw/zinc/12/55/40/1111125540.db2.gz KNPAWSDLXPQLEM-UHFFFAOYSA-N 0 0 305.736 3.270 20 10 DGCDRN O=C(CCc1ccc(Cl)s1)NCc1cc(O)ccc1O ZINC001303223558 1111137414 /nfs/dbraw/zinc/13/74/14/1111137414.db2.gz VCDLXFFVCLZBEH-UHFFFAOYSA-N 0 0 311.790 3.062 20 10 DGCDRN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001303661248 1111150900 /nfs/dbraw/zinc/15/09/00/1111150900.db2.gz WBLWOKNWTVZHLA-QTKMDUPCSA-N 0 0 317.410 3.334 20 10 DGCDRN COc1ccc(C(=O)NCc2c(O)cccc2O)c2ccccc12 ZINC001304051640 1111164004 /nfs/dbraw/zinc/16/40/04/1111164004.db2.gz ZNXKBYYPIHNNEW-UHFFFAOYSA-N 0 0 323.348 3.190 20 10 DGCDRN CC(C)(C)O[C@@H]1C[C@H]1C(=O)NCc1c(O)ccc2ccccc21 ZINC001304090902 1111165835 /nfs/dbraw/zinc/16/58/35/1111165835.db2.gz SMEKOEWBSYHYPQ-RHSMWYFYSA-N 0 0 313.397 3.365 20 10 DGCDRN C[C@@H]1C[C@H]1n1c(C2CCC2)nnc1N(C)Cc1ccccc1O ZINC001304960756 1111189928 /nfs/dbraw/zinc/18/99/28/1111189928.db2.gz LTQPCQGZACHDLD-IUODEOHRSA-N 0 0 312.417 3.469 20 10 DGCDRN COC(=O)c1cnc(Sc2ncnc3ccc(C)cc32)s1 ZINC001307126966 1111269276 /nfs/dbraw/zinc/26/92/76/1111269276.db2.gz IWSVJVNOVBQUIK-UHFFFAOYSA-N 0 0 317.395 3.333 20 10 DGCDRN O=[N+]([O-])c1c(NCc2c(O)cccc2O)ccc2ncccc21 ZINC001307215239 1111279631 /nfs/dbraw/zinc/27/96/31/1111279631.db2.gz FIZATJOHJUVBFH-UHFFFAOYSA-N 0 0 311.297 3.166 20 10 DGCDRN C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)cc1F ZINC001308285550 1111410634 /nfs/dbraw/zinc/41/06/34/1111410634.db2.gz IXSBXOQCHISQKY-JTQLQIEISA-N 0 0 322.311 3.472 20 10 DGCDRN CC[C@@H](NC/C=C/c1ccc(N(C)C)cc1)c1noc(C)n1 ZINC001308304412 1111414255 /nfs/dbraw/zinc/41/42/55/1111414255.db2.gz ZCTAFRWEYIPFPK-FYCOFBDGSA-N 0 0 300.406 3.198 20 10 DGCDRN CNC(=O)c1ccc(C)c(NCc2ccc(N(C)C)c(F)c2)c1 ZINC001308319590 1111415681 /nfs/dbraw/zinc/41/56/81/1111415681.db2.gz IGKRKACSTAVLAR-UHFFFAOYSA-N 0 0 315.392 3.172 20 10 DGCDRN COc1ccc(C)nc1NCc1c(O)cccc1Br ZINC001308320976 1111416297 /nfs/dbraw/zinc/41/62/97/1111416297.db2.gz HAEILUSAXLPRJS-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1CCN1C1CCCCC1 ZINC001308466098 1111431918 /nfs/dbraw/zinc/43/19/18/1111431918.db2.gz GZHWUSYYMJLJLM-OAHLLOKOSA-N 0 0 310.388 3.167 20 10 DGCDRN CN(C)c1cccc(C[N@H+](C)Cc2cc(F)c(F)cc2[O-])c1 ZINC001308607315 1111450506 /nfs/dbraw/zinc/45/05/06/1111450506.db2.gz MJRYZUOHJKPDAE-UHFFFAOYSA-N 0 0 306.356 3.368 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ccc(F)c(NC(N)=O)c1 ZINC001308788456 1111475661 /nfs/dbraw/zinc/47/56/61/1111475661.db2.gz IHXUVFMHDPYNSG-UHFFFAOYSA-N 0 0 316.380 3.303 20 10 DGCDRN CN(c1ccccc1)[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001308884885 1111488864 /nfs/dbraw/zinc/48/88/64/1111488864.db2.gz YFYSMLYOJVRLHQ-OAHLLOKOSA-N 0 0 318.367 3.381 20 10 DGCDRN Cc1cc(CO)cc(C)c1C[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001308947169 1111497764 /nfs/dbraw/zinc/49/77/64/1111497764.db2.gz GULYVBDJMVYEOD-UHFFFAOYSA-N 0 0 307.340 3.069 20 10 DGCDRN C[C@@H]1CC[C@@](CO)([NH2+]Cc2cccc(F)c2[O-])c2ccccc21 ZINC001308984022 1111505221 /nfs/dbraw/zinc/50/52/21/1111505221.db2.gz DOYHUCWORPQPMB-YJYMSZOUSA-N 0 0 315.388 3.406 20 10 DGCDRN Cc1ccc(/C=C/S(=O)(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC001309768776 1111540052 /nfs/dbraw/zinc/54/00/52/1111540052.db2.gz INBFGOGQGKNHPV-GETOMWPZSA-N 0 0 317.410 3.352 20 10 DGCDRN CSc1ccccc1S(=O)(=O)N[C@H](C)c1ccccc1O ZINC001309769225 1111540172 /nfs/dbraw/zinc/54/01/72/1111540172.db2.gz RTMXOQQDQFEERO-LLVKDONJSA-N 0 0 323.439 3.154 20 10 DGCDRN COc1c(F)cc(NC(=O)NCc2cc(C)ccc2O)cc1F ZINC001310167924 1111553009 /nfs/dbraw/zinc/55/30/09/1111553009.db2.gz ATZGDXQSVYDYLN-UHFFFAOYSA-N 0 0 322.311 3.309 20 10 DGCDRN CCCCCNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001311363172 1111596578 /nfs/dbraw/zinc/59/65/78/1111596578.db2.gz GFPTUFUKBQNZOL-OAHLLOKOSA-N 0 0 305.466 3.481 20 10 DGCDRN CC(C)CC1(NC(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC001311730151 1111616360 /nfs/dbraw/zinc/61/63/60/1111616360.db2.gz XHRBHVIDNLNZEY-UHFFFAOYSA-N 0 0 315.461 3.447 20 10 DGCDRN Cc1cc(CNC(=O)NOCC2CC2)c(C)n1-c1ccccc1 ZINC001312760868 1111671595 /nfs/dbraw/zinc/67/15/95/1111671595.db2.gz ATQRMLXFUZCJEA-UHFFFAOYSA-N 0 0 313.401 3.235 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@]2(C)CC2(C)C)c1 ZINC001313225216 1111702342 /nfs/dbraw/zinc/70/23/42/1111702342.db2.gz PCWNHKNVQVYOEZ-GTNSWQLSSA-N 0 0 306.406 3.197 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)CCc2ccc(F)cc2)cc1 ZINC000078953494 185135189 /nfs/dbraw/zinc/13/51/89/185135189.db2.gz DUSSMAYLKCIKEJ-UHFFFAOYSA-N 0 0 314.404 3.483 20 10 DGCDRN CC(=O)c1cc(F)cc(CNC(C)(C)c2nccs2)c1O ZINC000079437223 185171478 /nfs/dbraw/zinc/17/14/78/185171478.db2.gz ZYJVSSWHXDQZGS-UHFFFAOYSA-N 0 0 308.378 3.215 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccccc1F ZINC000181220158 529786276 /nfs/dbraw/zinc/78/62/76/529786276.db2.gz HZISTCDQRAVMCB-UHFFFAOYSA-N 0 0 315.348 3.323 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCCCC1(F)F ZINC000450050996 282295166 /nfs/dbraw/zinc/29/51/66/282295166.db2.gz VHWNCIYSKCKSBB-ZDUSSCGKSA-N 0 0 324.371 3.304 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1c(C)nn(C)c1C ZINC000282362324 282791114 /nfs/dbraw/zinc/79/11/14/282791114.db2.gz BMMJKJLNXYYSNQ-UHFFFAOYSA-N 0 0 315.417 3.185 20 10 DGCDRN COc1cccc(CNC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c1O ZINC000073439969 191316602 /nfs/dbraw/zinc/31/66/02/191316602.db2.gz IPEAMEICJYAWLN-OUCADQQQSA-N 0 0 306.406 3.025 20 10 DGCDRN COc1cc(C)cc(CNC(=O)N(C)Cc2ccccc2O)c1 ZINC000132940357 432055658 /nfs/dbraw/zinc/05/56/58/432055658.db2.gz CWGLRPYKFKEZLS-UHFFFAOYSA-N 0 0 314.385 3.051 20 10 DGCDRN CCOc1ccccc1OCCCC(=O)Nc1ccc(N)cc1 ZINC000236969595 202101293 /nfs/dbraw/zinc/10/12/93/202101293.db2.gz OVOUVVDMDIZSGZ-UHFFFAOYSA-N 0 0 314.385 3.465 20 10 DGCDRN CC[C@@](C)(NC(=O)c1ccc(C)c(O)c1O)c1nc(C)cs1 ZINC000179516446 432061168 /nfs/dbraw/zinc/06/11/68/432061168.db2.gz HAQFKFADNQZUCR-MRXNPFEDSA-N 0 0 320.414 3.226 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC(=O)C[C@H]1C ZINC000130414406 283296336 /nfs/dbraw/zinc/29/63/36/283296336.db2.gz SQVXDMYGPLFQAJ-CJNGLKHVSA-N 0 0 303.402 3.136 20 10 DGCDRN CC(C)COC[C@H](O)CSc1ncc(-c2ccccc2)n1C ZINC000170697919 432077775 /nfs/dbraw/zinc/07/77/75/432077775.db2.gz HMSAWQMDPANHAF-HNNXBMFYSA-N 0 0 320.458 3.213 20 10 DGCDRN C[C@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1ccc(F)c(F)c1[O-] ZINC000187804660 299313767 /nfs/dbraw/zinc/31/37/67/299313767.db2.gz GEEJYFPIUNLUDC-VOJFVSQTSA-N 0 0 319.351 3.155 20 10 DGCDRN CCOCCC1(CNC(=O)NCc2ccccc2O)CCCC1 ZINC000268520784 432099219 /nfs/dbraw/zinc/09/92/19/432099219.db2.gz BQSPQXCLSONCSG-UHFFFAOYSA-N 0 0 320.433 3.178 20 10 DGCDRN O=C(/C=C/c1cnccn1)N1CCSc2ccc(Cl)cc21 ZINC000491150873 283726254 /nfs/dbraw/zinc/72/62/54/283726254.db2.gz ITQYRZOEOLORCR-DUXPYHPUSA-N 0 0 317.801 3.282 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCS[C@H](C)C1 ZINC000472289739 244295427 /nfs/dbraw/zinc/29/54/27/244295427.db2.gz CUPZWRNRHFREPK-GFCCVEGCSA-N 0 0 317.458 3.134 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1ccc(F)c(F)c1[O-] ZINC000282552665 296164179 /nfs/dbraw/zinc/16/41/79/296164179.db2.gz XIZHIDGLKOVDGZ-RNCFNFMXSA-N 0 0 307.344 3.132 20 10 DGCDRN C[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(F)c(F)c1[O-] ZINC000187828068 296166293 /nfs/dbraw/zinc/16/62/93/296166293.db2.gz QPBFPMJBRLWMGG-JUTNTEDWSA-N 0 0 309.356 3.279 20 10 DGCDRN CCN1CCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000020563259 182232395 /nfs/dbraw/zinc/23/23/95/182232395.db2.gz KLLFQUNMXCWJGK-GFCCVEGCSA-N 0 0 303.233 3.273 20 10 DGCDRN O=C(/C=C/c1cncs1)N(Cc1ccccn1)c1cccnc1 ZINC000493561479 246010241 /nfs/dbraw/zinc/01/02/41/246010241.db2.gz SOOCSKZLEHSMLE-VOTSOKGWSA-N 0 0 322.393 3.180 20 10 DGCDRN Cc1ccc(N(C)C(=O)/C=C/c2cnn(-c3ccccc3)c2)nc1 ZINC000493854820 246085100 /nfs/dbraw/zinc/08/51/00/246085100.db2.gz XTDHILACKLLDPL-PKNBQFBNSA-N 0 0 318.380 3.252 20 10 DGCDRN Cc1ccccc1S(=O)(=O)Nc1cccc(N2CCCC2)c1 ZINC000041371898 183187394 /nfs/dbraw/zinc/18/73/94/183187394.db2.gz OKRZPKCBLKQHAP-UHFFFAOYSA-N 0 0 316.426 3.396 20 10 DGCDRN CC(=O)c1csc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000106637968 194239080 /nfs/dbraw/zinc/23/90/80/194239080.db2.gz IINDKLDFXABVTM-UHFFFAOYSA-N 0 0 320.389 3.086 20 10 DGCDRN CCCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000071794244 184843280 /nfs/dbraw/zinc/84/32/80/184843280.db2.gz GOAHDBJQDNDZSY-KRWDZBQOSA-N 0 0 304.434 3.060 20 10 DGCDRN COCC[C@H]([NH2+]Cc1cccc(OC)c1O)c1ccc(C)o1 ZINC000272378690 130024651 /nfs/dbraw/zinc/02/46/51/130024651.db2.gz YEDAXPQTNLVPHE-AWEZNQCLSA-N 0 0 305.374 3.170 20 10 DGCDRN Cc1ccc(C(=O)N2CC[C@H](c3cccc(F)c3)C2)c(O)c1O ZINC000272717724 130057418 /nfs/dbraw/zinc/05/74/18/130057418.db2.gz DRLXXYOAYWBVHC-ZDUSSCGKSA-N 0 0 315.344 3.175 20 10 DGCDRN Cc1ccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)C2)c(O)c1O ZINC000272773375 130062574 /nfs/dbraw/zinc/06/25/74/130062574.db2.gz SWGVDGKZKWRRSO-CYBMUJFWSA-N 0 0 315.344 3.175 20 10 DGCDRN C[C@@H](Nc1ccc(CS(C)(=O)=O)cc1)c1ccccc1O ZINC000272874281 130071523 /nfs/dbraw/zinc/07/15/23/130071523.db2.gz PKWAPZYIANDPDX-GFCCVEGCSA-N 0 0 305.399 3.110 20 10 DGCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc(N(C)C)cc2)c1 ZINC000273456961 130123534 /nfs/dbraw/zinc/12/35/34/130123534.db2.gz PTSSWTVRCNJUCF-GFCCVEGCSA-N 0 0 314.385 3.418 20 10 DGCDRN C[C@@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273501953 130129383 /nfs/dbraw/zinc/12/93/83/130129383.db2.gz QFLRMNIPQGJKTF-QWHCGFSZSA-N 0 0 322.405 3.140 20 10 DGCDRN COc1ccc(O)c([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000273516690 130130239 /nfs/dbraw/zinc/13/02/39/130130239.db2.gz SPANMGQDCXYVSB-GFCCVEGCSA-N 0 0 316.357 3.202 20 10 DGCDRN Cc1ccc(O)c([C@H](C)N[C@@H](CO)c2c(F)cccc2F)c1 ZINC000273526990 130132181 /nfs/dbraw/zinc/13/21/81/130132181.db2.gz VMCJIAPVSVZCJJ-NHYWBVRUSA-N 0 0 307.340 3.363 20 10 DGCDRN COc1ccc(O)c([C@H](C)N[C@@H](CO)c2c(F)cccc2F)c1 ZINC000273540895 130133680 /nfs/dbraw/zinc/13/36/80/130133680.db2.gz YFYZTQXERCCUQI-BONVTDFDSA-N 0 0 323.339 3.063 20 10 DGCDRN COCCC1(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])CCC1 ZINC000273556271 130137285 /nfs/dbraw/zinc/13/72/85/130137285.db2.gz GXAQBDABHVNFIY-ZDUSSCGKSA-N 0 0 321.417 3.036 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-])c1ccncc1 ZINC000273587981 130140189 /nfs/dbraw/zinc/14/01/89/130140189.db2.gz OJKGYCIYYHIGNX-LRDDRELGSA-N 0 0 314.385 3.376 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@]2(C)CCCS2)c1 ZINC000273610411 130143908 /nfs/dbraw/zinc/14/39/08/130143908.db2.gz VQWDXPTZMNEXCJ-BZNIZROVSA-N 0 0 309.431 3.115 20 10 DGCDRN C[C@@H]([NH2+]CCC[C@@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000274081285 130203724 /nfs/dbraw/zinc/20/37/24/130203724.db2.gz WFEQQYQEKLLUJE-OCCSQVGLSA-N 0 0 308.378 3.300 20 10 DGCDRN Cc1cc(C(=O)N(C)c2ccn(C)n2)c(C)n1-c1cccc(C)c1 ZINC000274760529 130258680 /nfs/dbraw/zinc/25/86/80/130258680.db2.gz IAMLMGJXBSFPRY-UHFFFAOYSA-N 0 0 322.412 3.413 20 10 DGCDRN COCCC1(CNC(=O)NCc2ccccc2O)CCCCC1 ZINC000274962838 130277929 /nfs/dbraw/zinc/27/79/29/130277929.db2.gz UJMWLNQHWJEIQW-UHFFFAOYSA-N 0 0 320.433 3.178 20 10 DGCDRN CCOc1cc2c(cc1NCc1cccc(F)c1O)OCCO2 ZINC000275111326 130291370 /nfs/dbraw/zinc/29/13/70/130291370.db2.gz DAWDQBRWDBKQMW-UHFFFAOYSA-N 0 0 319.332 3.313 20 10 DGCDRN COc1cc(/C=C2/SC(=S)N(C3CC3)C2=O)ccc1C ZINC000278238722 130674825 /nfs/dbraw/zinc/67/48/25/130674825.db2.gz VTVCWYXRQIKQNA-MDWZMJQESA-N 0 0 305.424 3.367 20 10 DGCDRN O=C(NCc1ccccc1O)c1cc(C2CC2)cnc1Cl ZINC000279711700 130759303 /nfs/dbraw/zinc/75/93/03/130759303.db2.gz ATKOSAMLIITOHY-UHFFFAOYSA-N 0 0 302.761 3.248 20 10 DGCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(F)F)cc1 ZINC000279815610 130764958 /nfs/dbraw/zinc/76/49/58/130764958.db2.gz XUBNUOVPIVJDCB-UHFFFAOYSA-N 0 0 308.328 3.140 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1conc1C1CC1 ZINC000280835962 130820807 /nfs/dbraw/zinc/82/08/07/130820807.db2.gz UGQGCHCUMFQHDU-UHFFFAOYSA-N 0 0 311.385 3.082 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1nnc(C)s1 ZINC000283124847 130961920 /nfs/dbraw/zinc/96/19/20/130961920.db2.gz ZHLKNKSIZXYIOP-UHFFFAOYSA-N 0 0 320.418 3.386 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@@H](OC)C(C)C ZINC000283549185 131002376 /nfs/dbraw/zinc/00/23/76/131002376.db2.gz DSAWKKJEIZZYGQ-QGZVFWFLSA-N 0 0 322.449 3.375 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000283809705 131025503 /nfs/dbraw/zinc/02/55/03/131025503.db2.gz OPWUVZAGMBJFBJ-GFCCVEGCSA-N 0 0 312.360 3.359 20 10 DGCDRN Cc1noc([C@@H]2CCCCN2Cc2ccc(N(C)C)cc2)n1 ZINC000285879296 131207399 /nfs/dbraw/zinc/20/73/99/131207399.db2.gz ZJZLYEPOPOVHJW-INIZCTEOSA-N 0 0 300.406 3.171 20 10 DGCDRN CCc1nn(C)c(OC)c1C[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000286055489 131217925 /nfs/dbraw/zinc/21/79/25/131217925.db2.gz LFOIFFZMWKGMAU-CQSZACIVSA-N 0 0 321.396 3.077 20 10 DGCDRN CC[C@@H]([NH2+]Cc1ccc(NC(C)=O)nc1)c1ccc(F)cc1[O-] ZINC000286378517 131234105 /nfs/dbraw/zinc/23/41/05/131234105.db2.gz ANULGXYTOXFJAU-OAHLLOKOSA-N 0 0 317.364 3.126 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000286686933 131246345 /nfs/dbraw/zinc/24/63/45/131246345.db2.gz GKMXXWGWTZMWLJ-SOUVJXGZSA-N 0 0 303.402 3.321 20 10 DGCDRN C[C@H](CF)NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000287510271 131283843 /nfs/dbraw/zinc/28/38/43/131283843.db2.gz FJCZRBVJSJZXEF-CQSZACIVSA-N 0 0 307.413 3.080 20 10 DGCDRN CC[C@H]([NH2+]CCCOCCO)c1cc(Cl)cc(Cl)c1[O-] ZINC000287601317 131288944 /nfs/dbraw/zinc/28/89/44/131288944.db2.gz IPGJJEWAFGCUHL-ZDUSSCGKSA-N 0 0 322.232 3.139 20 10 DGCDRN Cc1cccc(CN(C)Cc2nc(-c3cccs3)no2)c1O ZINC000289383226 131380819 /nfs/dbraw/zinc/38/08/19/131380819.db2.gz MQOFYXHMJPIAAF-UHFFFAOYSA-N 0 0 315.398 3.444 20 10 DGCDRN CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NCc1ccc(N)cc1 ZINC000297118234 132000494 /nfs/dbraw/zinc/00/04/94/132000494.db2.gz GHXVNHWTFRMYLJ-COXVUDFISA-N 0 0 304.434 3.259 20 10 DGCDRN CC(C)c1cccc(O[C@H](C)C(=O)NCc2ccc(N)cc2)c1 ZINC000297183867 132003115 /nfs/dbraw/zinc/00/31/15/132003115.db2.gz LLCFICZBRVTMPO-CQSZACIVSA-N 0 0 312.413 3.476 20 10 DGCDRN C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2O)c2ccccc2O1 ZINC000297795169 132034549 /nfs/dbraw/zinc/03/45/49/132034549.db2.gz MXXJMVMJVLVHMT-IUODEOHRSA-N 0 0 312.369 3.104 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)c2cc(C3CC3)n[nH]2)C2CC2)cc1 ZINC000298378751 132059508 /nfs/dbraw/zinc/05/95/08/132059508.db2.gz OGESMIKSCYWYAP-UHFFFAOYSA-N 0 0 324.428 3.158 20 10 DGCDRN Cc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n1C ZINC000298390491 132060323 /nfs/dbraw/zinc/06/03/23/132060323.db2.gz QPQCOXHLVDYOMZ-UHFFFAOYSA-N 0 0 311.429 3.204 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)Nc2cccnc2)C2CC2)cc1 ZINC000298847771 132079788 /nfs/dbraw/zinc/07/97/88/132079788.db2.gz LNPQVFOCKTXLSV-UHFFFAOYSA-N 0 0 310.401 3.344 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cc1ccncc1 ZINC000299237402 132094835 /nfs/dbraw/zinc/09/48/35/132094835.db2.gz KQQFJAYQLZEGFF-UHFFFAOYSA-N 0 0 323.440 3.273 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CCc2cccc(F)c2F)cc1 ZINC000299518408 132109150 /nfs/dbraw/zinc/10/91/50/132109150.db2.gz INFZJEDZVLHIJB-UHFFFAOYSA-N 0 0 318.367 3.280 20 10 DGCDRN O=C(NCc1ccccc1O)NCC1(c2ccc(F)cc2)CC1 ZINC000299552442 132111016 /nfs/dbraw/zinc/11/10/16/132111016.db2.gz XUVHNIXUYHBESK-UHFFFAOYSA-N 0 0 314.360 3.062 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1ccc(OC)cc1 ZINC000299660371 132115238 /nfs/dbraw/zinc/11/52/38/132115238.db2.gz PCBLCUWZWXLXMO-UHFFFAOYSA-N 0 0 313.397 3.382 20 10 DGCDRN COCCOc1cc(C)ccc1NCc1cccc(OC)c1O ZINC000119781166 132137195 /nfs/dbraw/zinc/13/71/95/132137195.db2.gz BEMHHDNIBBGCDB-UHFFFAOYSA-N 0 0 317.385 3.347 20 10 DGCDRN CCNC(=O)c1ccc(C)c(NCc2cccc(OC)c2O)c1 ZINC000122516566 132165948 /nfs/dbraw/zinc/16/59/48/132165948.db2.gz TVJFPCBGLKECIC-UHFFFAOYSA-N 0 0 314.385 3.071 20 10 DGCDRN COC(=O)c1ccc(O)c([C@H](C)N[C@H](C2CC2)C(F)(F)F)c1 ZINC000287231340 292014394 /nfs/dbraw/zinc/01/43/94/292014394.db2.gz GQWXBFYLIZYQLZ-ISVAXAHUSA-N 0 0 317.307 3.170 20 10 DGCDRN Cc1cc(O)ccc1NS(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000091017950 400087837 /nfs/dbraw/zinc/08/78/37/400087837.db2.gz GWDMECGNUWGQQZ-UHFFFAOYSA-N 0 0 321.398 3.289 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(N(C)C)cc2)cc1 ZINC000018150473 400181801 /nfs/dbraw/zinc/18/18/01/400181801.db2.gz QOIDUEFPALXPML-UHFFFAOYSA-N 0 0 311.429 3.091 20 10 DGCDRN COc1cccc(CNc2ccc(C(C)=O)cc2[N+](=O)[O-])c1O ZINC000066812761 400120705 /nfs/dbraw/zinc/12/07/05/400120705.db2.gz ODYLVZNFGSRTPY-UHFFFAOYSA-N 0 0 316.313 3.124 20 10 DGCDRN O=C(/C=C/c1cnccn1)N1CCCc2c(Cl)ccc(F)c21 ZINC000067171753 400151242 /nfs/dbraw/zinc/15/12/42/400151242.db2.gz NKZATOYXLAFVFS-ZZXKWVIFSA-N 0 0 317.751 3.262 20 10 DGCDRN Oc1ccccc1CN(C[C@@H]1CCCO1)c1ncc(Cl)cn1 ZINC000092925755 400212228 /nfs/dbraw/zinc/21/22/28/400212228.db2.gz OFYMVYRWUIWEMM-AWEZNQCLSA-N 0 0 319.792 3.021 20 10 DGCDRN Cc1cccc(N(C)C(=O)c2cn(C)nc2-c2cccnc2)c1 ZINC000589126815 400262677 /nfs/dbraw/zinc/26/26/77/400262677.db2.gz WOBVNNUGESYXIK-UHFFFAOYSA-N 0 0 306.369 3.067 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NCc2ccc(F)cc2)cc1 ZINC000030990535 400336338 /nfs/dbraw/zinc/33/63/38/400336338.db2.gz IBWKVEYCXMWMDU-UHFFFAOYSA-N 0 0 315.392 3.233 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)NCC(C)(F)F)ccc21 ZINC000579392133 400337970 /nfs/dbraw/zinc/33/79/70/400337970.db2.gz XMCKXKNNUOEFIN-UHFFFAOYSA-N 0 0 324.371 3.290 20 10 DGCDRN O=[N+]([O-])c1ccccc1NCc1ccc(N2CCOCC2)cc1 ZINC000042796607 400442458 /nfs/dbraw/zinc/44/24/58/400442458.db2.gz DUAVFZJTNWYMBI-UHFFFAOYSA-N 0 0 313.357 3.044 20 10 DGCDRN C[C@H](Sc1nccs1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000052913873 400754933 /nfs/dbraw/zinc/75/49/33/400754933.db2.gz XVTBTZJOLVIPSV-VIFPVBQESA-N 0 0 322.411 3.034 20 10 DGCDRN FC(F)Oc1ccc(N2CCC[C@H](Nc3ncccn3)C2)cc1 ZINC000078512987 400807146 /nfs/dbraw/zinc/80/71/46/400807146.db2.gz FVMBANHVFKRFQA-LBPRGKRZSA-N 0 0 320.343 3.159 20 10 DGCDRN c1ccc2nc(NCc3ccc(N4CCOCC4)cc3)cnc2c1 ZINC000053583211 400792854 /nfs/dbraw/zinc/79/28/54/400792854.db2.gz CIETYNQELQOYFF-UHFFFAOYSA-N 0 0 320.396 3.079 20 10 DGCDRN CCC[C@@H](C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000055877655 400898472 /nfs/dbraw/zinc/89/84/72/400898472.db2.gz JFSYCLFTZOKHEK-OAHLLOKOSA-N 0 0 304.434 3.170 20 10 DGCDRN CN1CCCc2cc(CNc3nccc(C(F)(F)F)n3)ccc21 ZINC000058555568 401059904 /nfs/dbraw/zinc/05/99/04/401059904.db2.gz QZPQKSQTFZUZKV-UHFFFAOYSA-N 0 0 322.334 3.490 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)Cc2cccc(F)c2F)cc1 ZINC000087024006 401182247 /nfs/dbraw/zinc/18/22/47/401182247.db2.gz FRXHJVVLIMALEV-UHFFFAOYSA-N 0 0 318.367 3.232 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)COc1ccccc1F ZINC000066096742 401291768 /nfs/dbraw/zinc/29/17/68/401291768.db2.gz IIDSBUTXWSIWLV-UHFFFAOYSA-N 0 0 317.360 3.349 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1CCC=CCC1 ZINC000635628676 401464677 /nfs/dbraw/zinc/46/46/77/401464677.db2.gz POPSUHHFZSBYBU-UHFFFAOYSA-N 0 0 300.402 3.224 20 10 DGCDRN CC[C@@H]([NH2+][C@H]1CC(=O)N(C(C)C)C1)c1cccc(Cl)c1[O-] ZINC000287724847 286931155 /nfs/dbraw/zinc/93/11/55/286931155.db2.gz OSZUXXUOGSQDHH-SMDDNHRTSA-N 0 0 310.825 3.096 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2CCOC3(CCCCC3)C2)c1 ZINC000136749579 432161561 /nfs/dbraw/zinc/16/15/61/432161561.db2.gz LZMCKSHEOSZUSL-AWEZNQCLSA-N 0 0 320.389 3.272 20 10 DGCDRN CCc1cccc2c1OCC[C@@H]2NC(=O)Cc1ccc(N)cc1 ZINC000269210257 432155369 /nfs/dbraw/zinc/15/53/69/432155369.db2.gz BUIDTBLAYCGVIB-KRWDZBQOSA-N 0 0 310.397 3.014 20 10 DGCDRN COc1ccc2c(c1)CCC[C@@H]2NC(=O)Cc1ccc(N)cc1 ZINC000269232856 432155620 /nfs/dbraw/zinc/15/56/20/432155620.db2.gz PYZXUJPBLKYQNZ-SFHVURJKSA-N 0 0 310.397 3.014 20 10 DGCDRN COc1ccsc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000171708124 432164126 /nfs/dbraw/zinc/16/41/26/432164126.db2.gz JHAATFAVUDIMSG-UHFFFAOYSA-N 0 0 316.426 3.287 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1nc(C)sc1C ZINC000137071012 432169366 /nfs/dbraw/zinc/16/93/66/432169366.db2.gz RETUQRRDYABQIU-UHFFFAOYSA-N 0 0 318.442 3.447 20 10 DGCDRN CCn1c(C)nnc1CN(c1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000171937961 432183870 /nfs/dbraw/zinc/18/38/70/432183870.db2.gz KKALVKITCZLVBT-CYBMUJFWSA-N 0 0 314.433 3.420 20 10 DGCDRN COc1ccc(N(C)C[C@@H](O)c2ccccc2F)c(OC)c1 ZINC000269847129 432212972 /nfs/dbraw/zinc/21/29/72/432212972.db2.gz WYMFNVWKWPKHLH-MRXNPFEDSA-N 0 0 305.349 3.013 20 10 DGCDRN CS[C@H](C)CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000269957335 432226370 /nfs/dbraw/zinc/22/63/70/432226370.db2.gz ZPIDOTANBDWYLU-CYBMUJFWSA-N 0 0 321.490 3.178 20 10 DGCDRN C[C@H]1Oc2ccc(NCc3ccc(N(C)C)cc3)cc2NC1=O ZINC000121694397 226970926 /nfs/dbraw/zinc/97/09/26/226970926.db2.gz LQFAOFFVEWCOAM-GFCCVEGCSA-N 0 0 311.385 3.084 20 10 DGCDRN Cc1ccc(CCCC(=O)NCCc2ccc(N)cc2)s1 ZINC000152576246 227073712 /nfs/dbraw/zinc/07/37/12/227073712.db2.gz QNSZUCYHRCENPN-UHFFFAOYSA-N 0 0 302.443 3.320 20 10 DGCDRN Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)c(C)n1C(C)C ZINC000156611394 227127154 /nfs/dbraw/zinc/12/71/54/227127154.db2.gz IPQQQOBOGPEBEO-UHFFFAOYSA-N 0 0 316.401 3.070 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000182636185 228369039 /nfs/dbraw/zinc/36/90/39/228369039.db2.gz USYZMBOXLJPGEE-WFASDCNBSA-N 0 0 313.850 3.190 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCC1(C(F)F)CC1 ZINC000350079985 229219253 /nfs/dbraw/zinc/21/92/53/229219253.db2.gz NSPLPKQMCKMAPO-UHFFFAOYSA-N 0 0 321.371 3.331 20 10 DGCDRN COCc1ccc(C(=O)NCc2c(C)c3ccccc3n2C)o1 ZINC000352112837 229243942 /nfs/dbraw/zinc/24/39/42/229243942.db2.gz WTBJBJOVUNLMPL-UHFFFAOYSA-N 0 0 312.369 3.156 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCc1ccncc1 ZINC000352112660 229244102 /nfs/dbraw/zinc/24/41/02/229244102.db2.gz VPQRSTBYJHXJBS-UHFFFAOYSA-N 0 0 307.397 3.131 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CC([C@H]2CCOC2)C1 ZINC000373466362 229555608 /nfs/dbraw/zinc/55/56/08/229555608.db2.gz OERDXGTYLAFFHH-VIFPVBQESA-N 0 0 302.201 3.167 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2c(c1)CCC2 ZINC000437013273 276885261 /nfs/dbraw/zinc/88/52/61/276885261.db2.gz ABWYDCWNYMKPBS-UHFFFAOYSA-N 0 0 322.408 3.281 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2ccncc2)c1O ZINC000153841432 277105975 /nfs/dbraw/zinc/10/59/75/277105975.db2.gz JVURZQRSENETBP-QGZVFWFLSA-N 0 0 314.360 3.466 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@]2(C)CCCS2)c1 ZINC000273610413 277160998 /nfs/dbraw/zinc/16/09/98/277160998.db2.gz VQWDXPTZMNEXCJ-MEDUHNTESA-N 0 0 309.431 3.115 20 10 DGCDRN COc1cc2c(cc1N[C@H]1CCc3cccc(O)c31)NC(=O)CC2 ZINC000296247045 277393285 /nfs/dbraw/zinc/39/32/85/277393285.db2.gz BAYVPBHAYSVGKJ-ZDUSSCGKSA-N 0 0 324.380 3.385 20 10 DGCDRN CC(C)[C@]1(C)C[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000186200411 277992204 /nfs/dbraw/zinc/99/22/04/277992204.db2.gz ZRNUNENGKJJBTP-KSSFIOAISA-N 0 0 302.418 3.160 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cccc(Cl)c1[O-] ZINC000376861889 288072525 /nfs/dbraw/zinc/07/25/25/288072525.db2.gz VKPWYYGIFNNLNK-RISCZKNCSA-N 0 0 305.809 3.367 20 10 DGCDRN CC[C@H]([NH2+][C@H](C)CC[S@](C)=O)c1cccc(Cl)c1[O-] ZINC000287667141 288077523 /nfs/dbraw/zinc/07/75/23/288077523.db2.gz LZPSPIFARNIJHB-KRDDEPHXSA-N 0 0 303.855 3.243 20 10 DGCDRN CCOCCCC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108294593 431133790 /nfs/dbraw/zinc/13/37/90/431133790.db2.gz PKKPFDZEABUTON-UHFFFAOYSA-N 0 0 318.461 3.356 20 10 DGCDRN Cc1csc(C(C)(C)[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000116382789 431506478 /nfs/dbraw/zinc/50/64/78/431506478.db2.gz AONDGTMHRYAPOT-UHFFFAOYSA-N 0 0 307.375 3.090 20 10 DGCDRN COc1ccc(C(C)(C)C(=O)N(C)Cc2ccccc2O)cc1 ZINC000120772537 431735321 /nfs/dbraw/zinc/73/53/21/431735321.db2.gz QZFVFSLQAQZRQY-UHFFFAOYSA-N 0 0 313.397 3.337 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCN2CCCC[C@H]12 ZINC000036996932 431842659 /nfs/dbraw/zinc/84/26/59/431842659.db2.gz MYDSITRPJURHJA-UONOGXRCSA-N 0 0 315.244 3.415 20 10 DGCDRN CCOc1ccc(O)c(CN(C)Cc2ncc(CC)s2)c1 ZINC000093807701 431917967 /nfs/dbraw/zinc/91/79/67/431917967.db2.gz MZVOPXLNDUPTRZ-UHFFFAOYSA-N 0 0 306.431 3.442 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)c1cc2c(s1)CCCC2 ZINC000098074602 431977886 /nfs/dbraw/zinc/97/78/86/431977886.db2.gz UPHRYOWDMLLIMU-UHFFFAOYSA-N 0 0 317.410 3.011 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)CCCOc1ccc(F)cc1 ZINC000097362926 431967766 /nfs/dbraw/zinc/96/77/66/431967766.db2.gz WGUGICPSDSXLIQ-UHFFFAOYSA-N 0 0 317.360 3.349 20 10 DGCDRN CC(C)c1nc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cs1 ZINC000183420888 432291600 /nfs/dbraw/zinc/29/16/00/432291600.db2.gz UWGKAKUPSZVTQG-JTQLQIEISA-N 0 0 320.414 3.039 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CCc2ccc(F)cc2F)cc1 ZINC000151958919 432291871 /nfs/dbraw/zinc/29/18/71/432291871.db2.gz BJGRLEXSUDTTHF-UHFFFAOYSA-N 0 0 318.367 3.280 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)CC1CCCC1 ZINC000183488564 432297548 /nfs/dbraw/zinc/29/75/48/432297548.db2.gz DRMJWRMBDCGDNN-CHWSQXEVSA-N 0 0 305.418 3.361 20 10 DGCDRN CC(C)Oc1ccc(N(C)Cc2ccc(C(=O)N(C)C)[nH]2)cc1 ZINC000192037164 432327091 /nfs/dbraw/zinc/32/70/91/432327091.db2.gz MONRBTTWBHQBAY-UHFFFAOYSA-N 0 0 315.417 3.140 20 10 DGCDRN CC[C@H](Sc1ccccc1)C(=O)NCCc1ccc(N)cc1 ZINC000152531932 432337515 /nfs/dbraw/zinc/33/75/15/432337515.db2.gz AKENBOHNKFHCHX-KRWDZBQOSA-N 0 0 314.454 3.498 20 10 DGCDRN Nc1ccc(CCNC(=O)c2ccccc2OCC2CC2)cc1 ZINC000152540977 432338749 /nfs/dbraw/zinc/33/87/49/432338749.db2.gz FDDNKICOKLSZKD-UHFFFAOYSA-N 0 0 310.397 3.030 20 10 DGCDRN CC[C@H]1C[C@@H](C(=O)NCc2c(O)ccc3c2CCCC3)CCO1 ZINC000184058570 432350933 /nfs/dbraw/zinc/35/09/33/432350933.db2.gz ITCCMSSJLIQIKD-GJZGRUSLSA-N 0 0 317.429 3.092 20 10 DGCDRN O=C(Cc1ccsc1)NCc1c(O)ccc2c1CCCC2 ZINC000174518628 432353746 /nfs/dbraw/zinc/35/37/46/432353746.db2.gz JUWGJFUEILSUKF-UHFFFAOYSA-N 0 0 301.411 3.191 20 10 DGCDRN CCc1nnc([C@H](C)N[C@H](CC)c2ccc(N(C)C)cc2)[nH]1 ZINC000271443600 432397319 /nfs/dbraw/zinc/39/73/19/432397319.db2.gz FKTXFCXTMJXBLY-SWLSCSKDSA-N 0 0 301.438 3.235 20 10 DGCDRN COC[C@@H](NCc1cc(Cl)cc(C(C)=O)c1O)c1ccco1 ZINC000184561364 432406352 /nfs/dbraw/zinc/40/63/52/432406352.db2.gz NDMVYEUGSFUXDR-CQSZACIVSA-N 0 0 323.776 3.319 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C[C@@H]1n1ccnc1 ZINC000271228098 432357624 /nfs/dbraw/zinc/35/76/24/432357624.db2.gz BFMFKLMMCFFXLN-DOMZBBRYSA-N 0 0 305.809 3.325 20 10 DGCDRN Cc1cnc(N2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)s1 ZINC000271884873 432428440 /nfs/dbraw/zinc/42/84/40/432428440.db2.gz VUWPWPGVOLMMMZ-UHFFFAOYSA-N 0 0 323.849 3.133 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CCCC(C)=O)cc1F ZINC000184767417 432431214 /nfs/dbraw/zinc/43/12/14/432431214.db2.gz WIUFELYXUNEVCA-UHFFFAOYSA-N 0 0 308.397 3.047 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1SCCc2sccc21 ZINC000175507282 432443588 /nfs/dbraw/zinc/44/35/88/432443588.db2.gz NDXGTNDWPSJPOJ-OAHLLOKOSA-N 0 0 319.451 3.443 20 10 DGCDRN Cc1cc(C(=O)N2C[C@@H]3CCC[C@H]3C2)c(C)n1-c1ccccn1 ZINC000153952631 432459541 /nfs/dbraw/zinc/45/95/41/432459541.db2.gz HHKJNOQAUMNCOD-HOTGVXAUSA-N 0 0 309.413 3.361 20 10 DGCDRN C[C@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1ccc(F)cc1[O-] ZINC000184973210 432451479 /nfs/dbraw/zinc/45/14/79/432451479.db2.gz OQLXNUQSWQXFPP-ZDUSSCGKSA-N 0 0 315.392 3.377 20 10 DGCDRN CN(C(=O)/C=C\c1ccc(Cl)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000255862484 432414118 /nfs/dbraw/zinc/41/41/18/432414118.db2.gz RKHPKWRYLNRJIQ-OQFOIZHKSA-N 0 0 317.732 3.319 20 10 DGCDRN CC(C)CC(=O)N1CCC([NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185214985 432478264 /nfs/dbraw/zinc/47/82/64/432478264.db2.gz JGVJGIDMNABFRN-ZDUSSCGKSA-N 0 0 322.424 3.219 20 10 DGCDRN C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)Cc1ccc(N)cc1 ZINC000262626937 432495212 /nfs/dbraw/zinc/49/52/12/432495212.db2.gz LKHKAXYQBQOUTG-CRAIPNDOSA-N 0 0 308.425 3.291 20 10 DGCDRN Cc1ccc(O)c([C@@H](C)[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000185464121 432502264 /nfs/dbraw/zinc/50/22/64/432502264.db2.gz BWUFORWYRUTNCC-ZBFHGGJFSA-N 0 0 324.424 3.436 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ccc(F)cc1[O-] ZINC000185525334 432508569 /nfs/dbraw/zinc/50/85/69/432508569.db2.gz ANUYZHYPJAYBSM-UKRRQHHQSA-N 0 0 303.377 3.348 20 10 DGCDRN CCCC1(CNC(=O)NCc2cccc(OC)c2O)CCC1 ZINC000155335040 432550247 /nfs/dbraw/zinc/55/02/47/432550247.db2.gz FKBPUTONGWBEPK-UHFFFAOYSA-N 0 0 306.406 3.170 20 10 DGCDRN COc1ccc(N2CCN(C(=O)CC3CCCC3)CC2)cc1F ZINC000177282791 432607306 /nfs/dbraw/zinc/60/73/06/432607306.db2.gz PGHQGJYWRSAEGU-UHFFFAOYSA-N 0 0 320.408 3.063 20 10 DGCDRN CCC[C@]1(COC)CCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000195198051 432610745 /nfs/dbraw/zinc/61/07/45/432610745.db2.gz KSPMADURAZGFIH-GOSISDBHSA-N 0 0 323.433 3.191 20 10 DGCDRN O=C(c1c[nH]nc1-c1cccnc1)N1CCc2c1cccc2Cl ZINC000155659449 432565922 /nfs/dbraw/zinc/56/59/22/432565922.db2.gz YGUPPKQEVCHBDW-UHFFFAOYSA-N 0 0 324.771 3.328 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Nc2c(C)noc2C)cc1 ZINC000264123252 432616860 /nfs/dbraw/zinc/61/68/60/432616860.db2.gz XFYHNEMVUOAGOG-UHFFFAOYSA-N 0 0 316.405 3.459 20 10 DGCDRN Cc1ccc(O)c([C@@H](C)Nc2cccc(N3CCNC3=O)c2)c1 ZINC000273346933 432586692 /nfs/dbraw/zinc/58/66/92/432586692.db2.gz AVCNEMMWAONCAL-CYBMUJFWSA-N 0 0 311.385 3.403 20 10 DGCDRN COc1cc(N(C)Cc2cc(O)cc(F)c2)cc(OC)c1OC ZINC000186410723 432592130 /nfs/dbraw/zinc/59/21/30/432592130.db2.gz TXXWSRAJOWFFKH-UHFFFAOYSA-N 0 0 321.348 3.194 20 10 DGCDRN C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1[O-] ZINC000273467098 432602673 /nfs/dbraw/zinc/60/26/73/432602673.db2.gz DYVZOYUDAIGQAS-LLVKDONJSA-N 0 0 304.321 3.333 20 10 DGCDRN C[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000264340009 432637621 /nfs/dbraw/zinc/63/76/21/432637621.db2.gz WEZXDMDZPWSXMW-RHSMWYFYSA-N 0 0 301.434 3.275 20 10 DGCDRN Cc1ccc(C(=O)N(Cc2cccs2)C2CC2)c(O)c1O ZINC000177670300 432648255 /nfs/dbraw/zinc/64/82/55/432648255.db2.gz DGATVYVCTYTTTG-UHFFFAOYSA-N 0 0 303.383 3.273 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1=COCCC1 ZINC000264399868 432643236 /nfs/dbraw/zinc/64/32/36/432643236.db2.gz ASIDCBCSLDLPKE-UHFFFAOYSA-N 0 0 302.418 3.184 20 10 DGCDRN COCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185467968 292659049 /nfs/dbraw/zinc/65/90/49/292659049.db2.gz UCOQDIBQYRGDGB-YMTOWFKASA-N 0 0 322.232 3.137 20 10 DGCDRN C[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1ccc(F)c(F)c1[O-] ZINC000187730403 432680420 /nfs/dbraw/zinc/68/04/20/432680420.db2.gz UVGPZCGVVMTWKU-PSLIRLAXSA-N 0 0 313.369 3.290 20 10 DGCDRN COc1cccc([C@H](O)C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])c1 ZINC000187714419 432680522 /nfs/dbraw/zinc/68/05/22/432680522.db2.gz HPKSQDURIGXTTG-MEBBXXQBSA-N 0 0 323.339 3.063 20 10 DGCDRN Cc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187716628 432680649 /nfs/dbraw/zinc/68/06/49/432680649.db2.gz WJDQYGZUEIBVEQ-NHYWBVRUSA-N 0 0 307.340 3.363 20 10 DGCDRN CC[C@H](C)[C@H](NC(=O)NCc1ccccc1O)C(F)(F)F ZINC000278446447 432895436 /nfs/dbraw/zinc/89/54/36/432895436.db2.gz FWDZNLVICMYWPZ-CABZTGNLSA-N 0 0 304.312 3.168 20 10 DGCDRN CC[C@@H](C)CC(=O)NCc1cccc(Br)c1O ZINC000277651620 432867198 /nfs/dbraw/zinc/86/71/98/432867198.db2.gz ZAEJCFRMMWSUAZ-SECBINFHSA-N 0 0 300.196 3.207 20 10 DGCDRN CCC(=CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)CC ZINC000268407645 432869543 /nfs/dbraw/zinc/86/95/43/432869543.db2.gz HSAJCZSRNXFQML-UHFFFAOYSA-N 0 0 316.445 3.228 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000278332580 432892061 /nfs/dbraw/zinc/89/20/61/432892061.db2.gz WNZYDVOJKAGDLS-XUOSJQGZSA-N 0 0 318.122 3.273 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2(SC)CCC2)c1 ZINC000279027852 432926670 /nfs/dbraw/zinc/92/66/70/432926670.db2.gz IECXRJOAHFRSJE-LLVKDONJSA-N 0 0 309.431 3.115 20 10 DGCDRN C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cccc(O)c1O ZINC000279255620 432950365 /nfs/dbraw/zinc/95/03/65/432950365.db2.gz IRDIDQALHSYHTN-DZGCQCFKSA-N 0 0 311.381 3.191 20 10 DGCDRN C[C@](O)(C[NH2+][C@@H]1CCc2cccc(O)c21)c1ccc(F)cc1 ZINC000296877234 432935121 /nfs/dbraw/zinc/93/51/21/432935121.db2.gz OBRHNVPBDITBLP-QAPCUYQASA-N 0 0 301.361 3.016 20 10 DGCDRN Cc1cc(O)c(CNc2ccc3c(c2)N(C(N)=O)CC3)cc1C ZINC000278809301 432903621 /nfs/dbraw/zinc/90/36/21/432903621.db2.gz SEMVMFLRZQSJKK-UHFFFAOYSA-N 0 0 311.385 3.062 20 10 DGCDRN CCOc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)cc1 ZINC000278897094 432914159 /nfs/dbraw/zinc/91/41/59/432914159.db2.gz QLZQAIAYFVWQMO-UHFFFAOYSA-N 0 0 318.329 3.320 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278917833 432916341 /nfs/dbraw/zinc/91/63/41/432916341.db2.gz ULQKVFKAKGWORG-LLVKDONJSA-N 0 0 302.330 3.160 20 10 DGCDRN Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3cccc(O)c3O)C2)cc1 ZINC000278916140 432916876 /nfs/dbraw/zinc/91/68/76/432916876.db2.gz JYXHWADYQHVJAZ-ZFWWWQNUSA-N 0 0 311.381 3.424 20 10 DGCDRN COc1c([O-])c(C[NH2+]C(C)(C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278939765 432920013 /nfs/dbraw/zinc/92/00/13/432920013.db2.gz XLDOROHSUSJVNW-UHFFFAOYSA-N 0 0 316.357 3.334 20 10 DGCDRN CC(=O)c1cc(Cl)cc(Cn2cnc3c2CCCC3)c1O ZINC000296562129 432921798 /nfs/dbraw/zinc/92/17/98/432921798.db2.gz COZMPXKOPPLDRA-UHFFFAOYSA-N 0 0 304.777 3.372 20 10 DGCDRN COc1cc(Cl)cc(CN2CCC[C@@H]2c2nc(C)no2)c1O ZINC000289818746 432974789 /nfs/dbraw/zinc/97/47/89/432974789.db2.gz NZYAHKSWIHXMBO-GFCCVEGCSA-N 0 0 323.780 3.083 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C[C@@H]2CCC(=O)[C@H]2C)cc1 ZINC000280037491 432999062 /nfs/dbraw/zinc/99/90/62/432999062.db2.gz WKPSXTBOQSDYBB-HOCLYGCPSA-N 0 0 316.445 3.154 20 10 DGCDRN CN(C)c1ccc(CNc2cccc(N3CCC3=O)c2)cc1F ZINC000280169837 433008341 /nfs/dbraw/zinc/00/83/41/433008341.db2.gz SSSJBNAEIUPRNG-UHFFFAOYSA-N 0 0 313.376 3.241 20 10 DGCDRN CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000290241662 433019348 /nfs/dbraw/zinc/01/93/48/433019348.db2.gz SQDHVNMUEZVCEK-KXUCPTDWSA-N 0 0 302.212 3.229 20 10 DGCDRN COc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)c1O ZINC000280487445 433060938 /nfs/dbraw/zinc/06/09/38/433060938.db2.gz ONCJRFICLFRQMY-FZMZJTMJSA-N 0 0 313.825 3.180 20 10 DGCDRN Cc1ccc2c(c1)/C(=C/c1nccn1CC(F)(F)F)C(=O)N2C ZINC000290492472 433067058 /nfs/dbraw/zinc/06/70/58/433067058.db2.gz JKFIASRLVJQMJD-WQLSENKSSA-N 0 0 321.302 3.271 20 10 DGCDRN OC[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCC1(F)F ZINC000291317089 433234387 /nfs/dbraw/zinc/23/43/87/433234387.db2.gz SGADJDFJIVMZTN-MRXNPFEDSA-N 0 0 324.415 3.126 20 10 DGCDRN CCn1ccnc1[C@H]1CCCCN1Cc1cc(OC)ccc1O ZINC000281188447 433268804 /nfs/dbraw/zinc/26/88/04/433268804.db2.gz RYPFJMXFJBYULA-MRXNPFEDSA-N 0 0 315.417 3.344 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNc1ccnc2cccnc21 ZINC000338710593 433314551 /nfs/dbraw/zinc/31/45/51/433314551.db2.gz WYAJUVKCNFCHBG-UHFFFAOYSA-N 0 0 302.381 3.464 20 10 DGCDRN CCN(CC)c1ccc(CNc2nccc(OC)n2)cc1F ZINC000301193708 433447022 /nfs/dbraw/zinc/44/70/22/433447022.db2.gz IRYPTJFXBXKHLN-UHFFFAOYSA-N 0 0 304.369 3.083 20 10 DGCDRN Cc1ccnc(NCc2ccc3c(c2)CCCN3C)c1[N+](=O)[O-] ZINC000301263731 433477736 /nfs/dbraw/zinc/47/77/36/433477736.db2.gz FXOIQANOGYFSIQ-UHFFFAOYSA-N 0 0 312.373 3.293 20 10 DGCDRN CCCc1occc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000282363211 433581169 /nfs/dbraw/zinc/58/11/69/433581169.db2.gz OKLLSQLJCCWIFZ-LLVKDONJSA-N 0 0 303.358 3.004 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C/c1cncs1 ZINC000282246591 433543628 /nfs/dbraw/zinc/54/36/28/433543628.db2.gz GGAMUIBYIYAYLU-MDZDMXLPSA-N 0 0 315.442 3.271 20 10 DGCDRN CO[C@@H]1Cc2ccccc2N(Cc2c[nH]nc2-c2cccnc2)C1 ZINC000282264170 433548358 /nfs/dbraw/zinc/54/83/58/433548358.db2.gz CAWOQBOJTBCUNJ-QGZVFWFLSA-N 0 0 320.396 3.049 20 10 DGCDRN CCCc1nc(C)c(C(=O)NCc2ccc(N(C)C)c(F)c2)o1 ZINC000292785703 433594783 /nfs/dbraw/zinc/59/47/83/433594783.db2.gz UZOROIVMTXUKAL-UHFFFAOYSA-N 0 0 319.380 3.071 20 10 DGCDRN CCCOc1ccc(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)c(O)c1 ZINC000282411435 433598977 /nfs/dbraw/zinc/59/89/77/433598977.db2.gz ZCNWNIVPQFDKIZ-KBPBESRZSA-N 0 0 307.434 3.474 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cc(C2CC2)n[nH]1 ZINC000282464819 433608992 /nfs/dbraw/zinc/60/89/92/433608992.db2.gz KCGCPFFLAMLJOV-UHFFFAOYSA-N 0 0 313.401 3.435 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1cncnc1 ZINC000283195192 433688569 /nfs/dbraw/zinc/68/85/69/433688569.db2.gz MTHRQBYZRLZOGE-UHFFFAOYSA-N 0 0 300.362 3.016 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)c1ccc([N+](=O)[O-])c(C)n1 ZINC000301755041 433707153 /nfs/dbraw/zinc/70/71/53/433707153.db2.gz KGZWIFCBMYXNFG-UHFFFAOYSA-N 0 0 314.389 3.391 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1ncoc1C ZINC000283390698 433716676 /nfs/dbraw/zinc/71/66/76/433716676.db2.gz DUOCKBUVSMVTEP-UHFFFAOYSA-N 0 0 317.389 3.201 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CSCCS1 ZINC000293511465 433767246 /nfs/dbraw/zinc/76/72/46/433767246.db2.gz CFMBKUNWZZBTGF-VIFPVBQESA-N 0 0 307.843 3.123 20 10 DGCDRN Cc1noc([C@@H]2CCCN2Cc2ccc(N(C)C)c(C)c2)n1 ZINC000293635709 433812766 /nfs/dbraw/zinc/81/27/66/433812766.db2.gz RJSAFRRFAOTFON-INIZCTEOSA-N 0 0 300.406 3.090 20 10 DGCDRN Clc1cncnc1NCc1ccc(N2CCSCC2)cc1 ZINC000302520726 433825861 /nfs/dbraw/zinc/82/58/61/433825861.db2.gz BROHYYIPXHKNHV-UHFFFAOYSA-N 0 0 320.849 3.295 20 10 DGCDRN Cc1cc(C(=O)N2CCCOCC2)c(C)n1-c1ccccc1C ZINC000363127100 433976774 /nfs/dbraw/zinc/97/67/74/433976774.db2.gz UGWFTAYTDMDUKA-UHFFFAOYSA-N 0 0 312.413 3.265 20 10 DGCDRN COc1ccc2c(c1)CCCCN2Cc1cnc2cnccn12 ZINC000378125319 434087616 /nfs/dbraw/zinc/08/76/16/434087616.db2.gz DBAYQQABAJSAEM-UHFFFAOYSA-N 0 0 308.385 3.081 20 10 DGCDRN CCc1cccc(N(C)C(=O)c2c[nH]nc2-c2cnn(CC)c2)c1 ZINC000457327036 434104152 /nfs/dbraw/zinc/10/41/52/434104152.db2.gz NAZSXVIVKMFKPH-UHFFFAOYSA-N 0 0 323.400 3.132 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@H]1n1ccnc1 ZINC000294434603 434111874 /nfs/dbraw/zinc/11/18/74/434111874.db2.gz XNEGPKNLIXEQKY-IAQYHMDHSA-N 0 0 323.799 3.464 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CSC(F)F)cc1 ZINC000294484200 434117096 /nfs/dbraw/zinc/11/70/96/434117096.db2.gz OFFAVQVONPYHEX-UHFFFAOYSA-N 0 0 302.390 3.105 20 10 DGCDRN CCCc1cc(C(=O)N(CC)Cc2ccc(N(C)C)cc2)no1 ZINC000294580097 434120555 /nfs/dbraw/zinc/12/05/55/434120555.db2.gz BOVAOOGSKJWXJQ-UHFFFAOYSA-N 0 0 315.417 3.355 20 10 DGCDRN COc1cc(N(C)CC2CC(F)(F)C2)cc(OC)c1OC ZINC000294827084 434145707 /nfs/dbraw/zinc/14/57/07/434145707.db2.gz AHJFRFVUEVRZJO-UHFFFAOYSA-N 0 0 301.333 3.194 20 10 DGCDRN COC(=O)c1cnc(SCCCCCn2cccn2)s1 ZINC000295299794 434296765 /nfs/dbraw/zinc/29/67/65/434296765.db2.gz MDIKMLIGEDNMSL-UHFFFAOYSA-N 0 0 311.432 3.089 20 10 DGCDRN Cn1ccnc1[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000365821338 434310967 /nfs/dbraw/zinc/31/09/67/434310967.db2.gz PYOZXPUFEBSEFA-ZDUSSCGKSA-N 0 0 305.809 3.159 20 10 DGCDRN Cc1cc(O)c(CNc2nnc(C3CCOCC3)s2)cc1C ZINC000295936196 434444980 /nfs/dbraw/zinc/44/49/80/434444980.db2.gz KPRPZFXEJZLXNZ-UHFFFAOYSA-N 0 0 319.430 3.367 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cnn(C)c1Cl ZINC000296121453 434516019 /nfs/dbraw/zinc/51/60/19/434516019.db2.gz RXDMBOFGIYIFBY-UHFFFAOYSA-N 0 0 321.808 3.222 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)c1ccc(F)cc1[O-] ZINC000367602263 434553306 /nfs/dbraw/zinc/55/33/06/434553306.db2.gz SFFAQBSMZAUJMB-CGTJXYLNSA-N 0 0 301.361 3.230 20 10 DGCDRN COc1cc(O)c(CN(CC(C)C)CC(F)(F)F)cc1OC ZINC000159833304 295003484 /nfs/dbraw/zinc/00/34/84/295003484.db2.gz RRPUDMJWZYYZAW-UHFFFAOYSA-N 0 0 321.339 3.430 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000367974600 434563620 /nfs/dbraw/zinc/56/36/20/434563620.db2.gz SWZUYCHNIKVBRX-XYJFISCASA-N 0 0 317.429 3.336 20 10 DGCDRN Cc1ccc(-c2ncco2)cc1NC(=O)c1cccc(O)c1O ZINC000369077801 434587303 /nfs/dbraw/zinc/58/73/03/434587303.db2.gz NESZGYQUUMPOGH-UHFFFAOYSA-N 0 0 310.309 3.314 20 10 DGCDRN CCc1nc([C@@H]2CCCCN2Cc2cccc(OC)c2O)no1 ZINC000371405076 434692439 /nfs/dbraw/zinc/69/24/39/434692439.db2.gz XWEUCTYMESQTGW-ZDUSSCGKSA-N 0 0 317.389 3.073 20 10 DGCDRN C[C@@H]1CCN(C(=O)/C=C\c2cncc(F)c2)c2c(O)cccc21 ZINC000492613106 435021308 /nfs/dbraw/zinc/02/13/08/435021308.db2.gz CEMQBGOWOXHRQK-FOQNGQEVSA-N 0 0 312.344 3.480 20 10 DGCDRN Cc1scnc1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000529146432 435033027 /nfs/dbraw/zinc/03/30/27/435033027.db2.gz YSEQXJJGKWCYIX-UHFFFAOYSA-N 0 0 317.414 3.358 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C\c2cnccc2C)cc1F ZINC000492532734 435005005 /nfs/dbraw/zinc/00/50/05/435005005.db2.gz MBJVMBVNJHIBNW-DAXSKMNVSA-N 0 0 300.333 3.214 20 10 DGCDRN CCN(C(=O)/C=C\c1cnn(C)c1C)c1ccccc1Cl ZINC000492871068 435065048 /nfs/dbraw/zinc/06/50/48/435065048.db2.gz SXGUVUPWYSLPQD-KTKRTIGZSA-N 0 0 303.793 3.448 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H]3C)ccc21 ZINC000641243550 435721589 /nfs/dbraw/zinc/72/15/89/435721589.db2.gz QTCAJFIVEPHCGU-LBPRGKRZSA-N 0 0 300.402 3.139 20 10 DGCDRN Cc1cc(C)cc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000173191528 301218879 /nfs/dbraw/zinc/21/88/79/301218879.db2.gz XHDPOUUAWCNUBM-UHFFFAOYSA-N 0 0 310.397 3.409 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCO[C@@H](C)C1 ZINC000283536147 334140437 /nfs/dbraw/zinc/14/04/37/334140437.db2.gz GTGDNVUEUVRHAA-GOEBONIOSA-N 0 0 320.433 3.271 20 10 DGCDRN Cc1nc(C2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)no1 ZINC000375011436 337001452 /nfs/dbraw/zinc/00/14/52/337001452.db2.gz FTRJDJKTWDGADC-UHFFFAOYSA-N 0 0 307.781 3.117 20 10 DGCDRN CS[C@@H](C)CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000349805548 533912609 /nfs/dbraw/zinc/91/26/09/533912609.db2.gz WIUYDWKMHSEXRZ-NSHDSACASA-N 0 0 305.447 3.037 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cc(C2CC2)n(C)n1 ZINC000348663737 533970779 /nfs/dbraw/zinc/97/07/79/533970779.db2.gz FEFCIDUHAMWJCM-UHFFFAOYSA-N 0 0 322.412 3.028 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cc(C(C)C)nn1C ZINC000348637298 533970929 /nfs/dbraw/zinc/97/09/29/533970929.db2.gz VLDRVCHPOYZHLI-UHFFFAOYSA-N 0 0 324.428 3.274 20 10 DGCDRN COc1ccc(N(C)Cc2cc(OC)c(O)c(OC)c2)cc1F ZINC000290477972 533982983 /nfs/dbraw/zinc/98/29/83/533982983.db2.gz VDEKNARFABLBND-UHFFFAOYSA-N 0 0 321.348 3.194 20 10 DGCDRN CC(C(=O)NCc1ccc(N2CCOCC2)cc1)=C1CCCC1 ZINC000267826911 518502930 /nfs/dbraw/zinc/50/29/30/518502930.db2.gz BOKIHVJOTOOQRO-UHFFFAOYSA-N 0 0 314.429 3.030 20 10 DGCDRN CC(C)(C(=O)NCCc1ccc(N)cc1)c1cccc(F)c1 ZINC000236709996 518524011 /nfs/dbraw/zinc/52/40/11/518524011.db2.gz UTUWFZYISZEVKP-UHFFFAOYSA-N 0 0 300.377 3.044 20 10 DGCDRN CC(C)(C)OCc1cc(CNCc2cc(F)ccc2O)no1 ZINC000188659217 518884316 /nfs/dbraw/zinc/88/43/16/518884316.db2.gz OEFBTLLQHRKPLT-UHFFFAOYSA-N 0 0 308.353 3.124 20 10 DGCDRN CC(=O)C[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000128688386 519433345 /nfs/dbraw/zinc/43/33/45/519433345.db2.gz HVLNDOSDAHVCCJ-LLVKDONJSA-N 0 0 316.376 3.331 20 10 DGCDRN CC(C)[C@H](C(=O)NCCc1ccc(O)c(O)c1)c1ccccc1 ZINC000130127726 519809605 /nfs/dbraw/zinc/80/96/05/519809605.db2.gz HXZKOTORLUCGBD-SFHVURJKSA-N 0 0 313.397 3.196 20 10 DGCDRN CCCCOCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000265396097 520730880 /nfs/dbraw/zinc/73/08/80/520730880.db2.gz QTHCPYHQRRCSGK-UHFFFAOYSA-N 0 0 304.434 3.060 20 10 DGCDRN CCC[C@H]1C[C@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000182904123 521241060 /nfs/dbraw/zinc/24/10/60/521241060.db2.gz NAHBLUDYVDRUDE-AEFFLSMTSA-N 0 0 318.461 3.306 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cccc(O)c1 ZINC000171239595 521318426 /nfs/dbraw/zinc/31/84/26/521318426.db2.gz MREWKXWEBDROJB-UHFFFAOYSA-N 0 0 312.413 3.049 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C2CC2)on1 ZINC000248108844 521320311 /nfs/dbraw/zinc/32/03/11/521320311.db2.gz JLQDOZXQLOBNCN-UHFFFAOYSA-N 0 0 313.401 3.280 20 10 DGCDRN CC[C@@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC000183474599 521860498 /nfs/dbraw/zinc/86/04/98/521860498.db2.gz NLSNQIPKVQZWHU-CZUORRHYSA-N 0 0 313.397 3.339 20 10 DGCDRN COc1cc(C(=O)NCc2c(C)c3ccccc3n2C)cc(C)n1 ZINC000337089813 522123243 /nfs/dbraw/zinc/12/32/43/522123243.db2.gz KBXAMQOQTJNMFU-UHFFFAOYSA-N 0 0 323.396 3.129 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)CC2CCOCC2)C2CC2)cc1 ZINC000265339539 522158734 /nfs/dbraw/zinc/15/87/34/522158734.db2.gz RBRXNXIRPYKRMZ-UHFFFAOYSA-N 0 0 316.445 3.060 20 10 DGCDRN CC[C@H](NC(=O)NCc1ccccc1O)c1nc(C)cs1 ZINC000264248449 522454907 /nfs/dbraw/zinc/45/49/07/522454907.db2.gz BBULNERGWWIJNM-LBPRGKRZSA-N 0 0 305.403 3.108 20 10 DGCDRN CC[C@@H](CC(=O)NCCc1ccc(O)c(O)c1)c1ccccc1 ZINC000156684706 522475289 /nfs/dbraw/zinc/47/52/89/522475289.db2.gz WIZWHGVAQZGREZ-HNNXBMFYSA-N 0 0 313.397 3.340 20 10 DGCDRN COc1cc(N(C)Cc2sc(C)nc2C)cc(OC)c1OC ZINC000172895976 522622867 /nfs/dbraw/zinc/62/28/67/522622867.db2.gz CKLFSOLCHQDYTI-UHFFFAOYSA-N 0 0 322.430 3.422 20 10 DGCDRN COCC(C)(C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000160767905 522790647 /nfs/dbraw/zinc/79/06/47/522790647.db2.gz OEABPAGIDMYWMJ-UHFFFAOYSA-N 0 0 318.461 3.308 20 10 DGCDRN CCc1ocnc1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000265701632 523021981 /nfs/dbraw/zinc/02/19/81/523021981.db2.gz KJCNBDCGPHXUOQ-UHFFFAOYSA-N 0 0 315.417 3.354 20 10 DGCDRN CC[C@@H](SC)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000269477134 523066609 /nfs/dbraw/zinc/06/66/09/523066609.db2.gz KUAZCUYGAUJINZ-MRXNPFEDSA-N 0 0 306.475 3.385 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)C(C)(C)C ZINC000265067749 523263389 /nfs/dbraw/zinc/26/33/89/523263389.db2.gz SOGPDSUHJXDRBN-UHFFFAOYSA-N 0 0 316.445 3.251 20 10 DGCDRN CO[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000182904181 523307367 /nfs/dbraw/zinc/30/73/67/523307367.db2.gz BVDFSYUPQUUHFJ-GOSISDBHSA-N 0 0 312.413 3.099 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)c2cnn(C)c2)c(C)n1-c1ccccc1 ZINC000124860583 524122921 /nfs/dbraw/zinc/12/29/21/524122921.db2.gz KNCPFXDUKRRGLM-AWEZNQCLSA-N 0 0 322.412 3.319 20 10 DGCDRN Cc1cccc(C)c1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000190920849 524291433 /nfs/dbraw/zinc/29/14/33/524291433.db2.gz GDXYBBMIPKPOQC-ZDUSSCGKSA-N 0 0 314.385 3.467 20 10 DGCDRN COc1ccc(N(C)CCCOCC(F)(F)F)c(OC)c1 ZINC000132252339 524350736 /nfs/dbraw/zinc/35/07/36/524350736.db2.gz OCNBJQHBUTWULP-UHFFFAOYSA-N 0 0 307.312 3.109 20 10 DGCDRN COc1ccc(N(CCC2OCCCO2)[C@H](C)C2CC2)cc1 ZINC000267903134 524367043 /nfs/dbraw/zinc/36/70/43/524367043.db2.gz CHHIGCXKJUMBQJ-CQSZACIVSA-N 0 0 305.418 3.453 20 10 DGCDRN COc1ccc(N2CCN(C(=O)[C@@H](C)C(C)(C)C)CC2)cc1 ZINC000265192315 524414396 /nfs/dbraw/zinc/41/43/96/524414396.db2.gz AYSWWUYVEXEOHN-CQSZACIVSA-N 0 0 304.434 3.026 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C[C@@H]1n1ccnc1 ZINC000180720054 524512493 /nfs/dbraw/zinc/51/24/93/524512493.db2.gz PNIDRYUWTMGIGT-DOMZBBRYSA-N 0 0 305.809 3.325 20 10 DGCDRN C[C@@H](CCc1ccccc1F)C(=O)NCc1ccccc1O ZINC000266543618 524540062 /nfs/dbraw/zinc/54/00/62/524540062.db2.gz LPLUSQZAIXHEKE-ZDUSSCGKSA-N 0 0 301.361 3.416 20 10 DGCDRN Cc1cccc(NC(=O)CN(C)Cc2cc(F)ccc2O)c1C ZINC000179885449 524590745 /nfs/dbraw/zinc/59/07/45/524590745.db2.gz GTZRPIVGTBZUNR-UHFFFAOYSA-N 0 0 316.376 3.219 20 10 DGCDRN Cc1cccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1C ZINC000152977959 524639298 /nfs/dbraw/zinc/63/92/98/524639298.db2.gz AXWFMWAESQZYTG-GFCCVEGCSA-N 0 0 314.385 3.467 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)c1cccc(F)c1 ZINC000183452777 524698729 /nfs/dbraw/zinc/69/87/29/524698729.db2.gz DOKRJZCVCKJPQA-VXGBXAGGSA-N 0 0 317.360 3.088 20 10 DGCDRN COc1ccc(O)c(CN2C[C@@H](C)OC[C@H]2c2ccccc2)c1 ZINC000180443453 524747478 /nfs/dbraw/zinc/74/74/78/524747478.db2.gz PVBMZKRVASENFX-KDOFPFPSSA-N 0 0 313.397 3.363 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NCc2csc([C@H](C)OC)n2)c1 ZINC000182393125 524766472 /nfs/dbraw/zinc/76/64/72/524766472.db2.gz XVPMLCAXGDENGD-MNOVXSKESA-N 0 0 322.430 3.416 20 10 DGCDRN COc1ccc(OC(C)C)c(NC(=O)Cc2ccc(N)cc2)c1 ZINC000237209377 524785256 /nfs/dbraw/zinc/78/52/56/524785256.db2.gz WOBOLZOFVVQIID-UHFFFAOYSA-N 0 0 314.385 3.246 20 10 DGCDRN C[C@H]([NH2+]CC[C@@](C)(O)c1ccccc1)c1ccc(F)cc1[O-] ZINC000187927198 525363836 /nfs/dbraw/zinc/36/38/36/525363836.db2.gz BNFNMBDRVCYIMU-SCLBCKFNSA-N 0 0 303.377 3.480 20 10 DGCDRN CSc1ccccc1N(C)C(=O)/C=C/c1cnn(C)c1C ZINC000127085306 526163266 /nfs/dbraw/zinc/16/32/66/526163266.db2.gz IGXVXYWGETYYFC-MDZDMXLPSA-N 0 0 301.415 3.127 20 10 DGCDRN Cc1cc(C(=O)N2C[C@@H]3[C@H](C2)C3(C)C)c(C)n1-c1ccccn1 ZINC000174254918 526262232 /nfs/dbraw/zinc/26/22/32/526262232.db2.gz JWBYNINQLFUSOT-IYBDPMFKSA-N 0 0 309.413 3.217 20 10 DGCDRN O=C(NCCCOc1ccc(N2CCCC2)cc1)C1CCCC1 ZINC000190100199 526267862 /nfs/dbraw/zinc/26/78/62/526267862.db2.gz BTRWZDLDTXDHLN-UHFFFAOYSA-N 0 0 316.445 3.362 20 10 DGCDRN Cc1nc(CC(C)C)c(C(=O)NCc2ccccc2O)s1 ZINC000268052009 526796242 /nfs/dbraw/zinc/79/62/42/526796242.db2.gz PNCIGQBGOQDQSI-UHFFFAOYSA-N 0 0 304.415 3.286 20 10 DGCDRN O=C1CCCCN1C1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000180522682 526970311 /nfs/dbraw/zinc/97/03/11/526970311.db2.gz LDVOLAJTLUPHJV-UHFFFAOYSA-N 0 0 322.836 3.023 20 10 DGCDRN Nc1ccc(CC(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)cc1 ZINC000237904515 527477275 /nfs/dbraw/zinc/47/72/75/527477275.db2.gz VPCJXLBTOSMEKU-XLIONFOSSA-N 0 0 324.424 3.095 20 10 DGCDRN CCCN(CC(F)F)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000128013340 527932991 /nfs/dbraw/zinc/93/29/91/527932991.db2.gz KFTYFRXRKPIBFK-UHFFFAOYSA-N 0 0 323.387 3.250 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cccnc1OC ZINC000299654501 528147570 /nfs/dbraw/zinc/14/75/70/528147570.db2.gz ODAGHJJALDEDST-UHFFFAOYSA-N 0 0 315.373 3.240 20 10 DGCDRN CC(C)N(Cc1ccco1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000299421793 535112863 /nfs/dbraw/zinc/11/28/63/535112863.db2.gz RPWWVELEGDCHET-UHFFFAOYSA-N 0 0 315.417 3.466 20 10 DGCDRN CC1(CCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC1 ZINC000286476679 535115797 /nfs/dbraw/zinc/11/57/97/535115797.db2.gz VYFYCXJBODWAFX-UHFFFAOYSA-N 0 0 322.792 3.000 20 10 DGCDRN CCOc1cccc(CNc2ccc(OCCCO)cc2)c1O ZINC000285532646 535463906 /nfs/dbraw/zinc/46/39/06/535463906.db2.gz PWWZVUOKQGBSAQ-UHFFFAOYSA-N 0 0 317.385 3.164 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]CCCCCC(=O)[O-])cc1F ZINC000276946087 535687063 /nfs/dbraw/zinc/68/70/63/535687063.db2.gz DDNMRUAXESGNCY-UHFFFAOYSA-N 0 0 310.413 3.407 20 10 DGCDRN CC[C@@H]([NH2+]CCC(=O)NC1CCCCC1)c1ccc(F)cc1[O-] ZINC000286034361 535803391 /nfs/dbraw/zinc/80/33/91/535803391.db2.gz KGIVZDADAXDDJP-MRXNPFEDSA-N 0 0 322.424 3.411 20 10 DGCDRN CC[C@@H]([NH2+]CCCC(=O)N(CC)CC)c1ccc(F)cc1[O-] ZINC000285887351 535803515 /nfs/dbraw/zinc/80/35/15/535803515.db2.gz ZVWYSKGYVCVVPF-OAHLLOKOSA-N 0 0 310.413 3.221 20 10 DGCDRN CC[C@@H]1C[C@@H](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000272912252 535871310 /nfs/dbraw/zinc/87/13/10/535871310.db2.gz LDBWPWMYPRJGEL-FUHWJXTLSA-N 0 0 318.461 3.306 20 10 DGCDRN COc1cccc(CC(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000298398562 537103821 /nfs/dbraw/zinc/10/38/21/537103821.db2.gz NCHQMTSYULXAMZ-UHFFFAOYSA-N 0 0 324.424 3.154 20 10 DGCDRN CCOC1CC(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000294750150 546424289 /nfs/dbraw/zinc/42/42/89/546424289.db2.gz RKFMVPWWUGVHKT-UHFFFAOYSA-N 0 0 301.789 3.480 20 10 DGCDRN CCc1cccc(NC(=S)NCCc2ccc(O)c(O)c2)c1 ZINC000730591112 574532416 /nfs/dbraw/zinc/53/24/16/574532416.db2.gz JWGDNPMGDHXZFQ-UHFFFAOYSA-N 0 0 316.426 3.189 20 10 DGCDRN CCOc1ccc(N(CC)Cc2ccc(C(=O)NC)cc2)cc1 ZINC000731354169 574547719 /nfs/dbraw/zinc/54/77/19/574547719.db2.gz ATBCCIWHMYWCCZ-UHFFFAOYSA-N 0 0 312.413 3.471 20 10 DGCDRN CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C1=CC(=O)CS1 ZINC000731869875 574560627 /nfs/dbraw/zinc/56/06/27/574560627.db2.gz PZFZCWFQVOEPPX-UHFFFAOYSA-N 0 0 318.442 3.224 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000731870861 574560747 /nfs/dbraw/zinc/56/07/47/574560747.db2.gz PFMQRDMVHBPKQA-CYBMUJFWSA-N 0 0 323.801 3.321 20 10 DGCDRN O=C(Nc1nc(CN2CCCCC2)cs1)C1=CC(=O)CS1 ZINC000731866957 574561175 /nfs/dbraw/zinc/56/11/75/574561175.db2.gz LTJVICZHRPAPAF-UHFFFAOYSA-N 0 0 323.443 3.148 20 10 DGCDRN O=C(OCc1coc(-c2ccccc2)n1)C1=CC(=O)CS1 ZINC000731909810 574561813 /nfs/dbraw/zinc/56/18/13/574561813.db2.gz LBXSOCQHUPZIBG-UHFFFAOYSA-N 0 0 301.323 3.466 20 10 DGCDRN Cc1cccc(C)c1OC[C@H](C)NC(=O)C1=CC(=O)CS1 ZINC000732277322 574570223 /nfs/dbraw/zinc/57/02/23/574570223.db2.gz DVXAEROGEOTICK-LBPRGKRZSA-N 0 0 305.399 3.268 20 10 DGCDRN CC(C)COC[C@H](NC(=O)C1=CC(=O)CS1)c1ccco1 ZINC000732283173 574570339 /nfs/dbraw/zinc/57/03/39/574570339.db2.gz DSGRDGDRULQGHO-LBPRGKRZSA-N 0 0 309.387 3.190 20 10 DGCDRN Cc1[nH]c2ccccc2c1CCNC(=O)C1=CC(=O)CS1 ZINC000732282216 574570553 /nfs/dbraw/zinc/57/05/53/574570553.db2.gz AOGWACFTPLOCNU-UHFFFAOYSA-N 0 0 300.383 3.216 20 10 DGCDRN Cc1cc(C)c(C(=O)COC(=O)C2=CC(=O)CS2)c(C)c1 ZINC000732352954 574572091 /nfs/dbraw/zinc/57/20/91/574572091.db2.gz IRGDSOKQVPQIJE-UHFFFAOYSA-N 0 0 304.367 3.419 20 10 DGCDRN Cc1ccc(F)cc1NC(=O)[C@H](C)OC(=O)C1=CC(=O)CS1 ZINC000732353705 574572120 /nfs/dbraw/zinc/57/21/20/574572120.db2.gz LDNFTLQPBYVUNE-VIFPVBQESA-N 0 0 323.345 3.085 20 10 DGCDRN O=C(OCc1ccccc1OC(F)F)C1=CC(=O)CS1 ZINC000732352959 574572132 /nfs/dbraw/zinc/57/21/32/574572132.db2.gz ISVMFSNATYPMGT-UHFFFAOYSA-N 0 0 300.282 3.412 20 10 DGCDRN CCOc1ccc(OCCOC(=O)C2=CC(=O)CS2)cc1 ZINC000732353810 574572256 /nfs/dbraw/zinc/57/22/56/574572256.db2.gz WLGFBHNQCFDQDQ-UHFFFAOYSA-N 0 0 308.355 3.088 20 10 DGCDRN O=C(OCc1cc(-c2ccccc2)no1)C1=CC(=O)CS1 ZINC000732355001 574572323 /nfs/dbraw/zinc/57/23/23/574572323.db2.gz ZHOPCBORZUPGMF-UHFFFAOYSA-N 0 0 301.323 3.466 20 10 DGCDRN CCN(C(=O)[C@H](C)OC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000732354561 574572328 /nfs/dbraw/zinc/57/23/28/574572328.db2.gz VTPVKSYPDBDNAN-NSHDSACASA-N 0 0 319.382 3.052 20 10 DGCDRN C[C@H](CC(=O)N(C)Cc1ccccc1O)C(=O)c1ccccc1 ZINC000732827132 574584235 /nfs/dbraw/zinc/58/42/35/574584235.db2.gz AIGSMZMLRUHNDR-CQSZACIVSA-N 0 0 311.381 3.260 20 10 DGCDRN CC[C@H](Cc1ccccc1)C(=O)NCc1cccc(OC)c1O ZINC000732829581 574584468 /nfs/dbraw/zinc/58/44/68/574584468.db2.gz AXZOPRBEHQMDIO-OAHLLOKOSA-N 0 0 313.397 3.286 20 10 DGCDRN C[C@@H]1CCC[C@@H](OCC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000732954386 574589421 /nfs/dbraw/zinc/58/94/21/574589421.db2.gz ZGNFMOCXTHNICV-CRAIPNDOSA-N 0 0 318.461 3.306 20 10 DGCDRN COc1ccc(N2CCN(Cc3ncc(C(C)C)o3)CC2)cc1 ZINC000733305103 574612970 /nfs/dbraw/zinc/61/29/70/574612970.db2.gz YMLAGZKUQWOYBY-UHFFFAOYSA-N 0 0 315.417 3.129 20 10 DGCDRN Cc1cc(NC(=O)c2sccc2-n2c(C)ccc2C)n[nH]1 ZINC000733358906 574617932 /nfs/dbraw/zinc/61/79/32/574617932.db2.gz QJUXHZVYWBTDTJ-UHFFFAOYSA-N 0 0 300.387 3.439 20 10 DGCDRN COC[C@@H](C)OC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000733705990 574635024 /nfs/dbraw/zinc/63/50/24/574635024.db2.gz DEABLRLTULFCCF-CYBMUJFWSA-N 0 0 317.385 3.294 20 10 DGCDRN CNC(=O)c1cccc(CN2CCCc3cc(OC)ccc32)c1 ZINC000733793707 574637709 /nfs/dbraw/zinc/63/77/09/574637709.db2.gz SAYBSZYAPIQIOR-UHFFFAOYSA-N 0 0 310.397 3.008 20 10 DGCDRN O=C(NCCCSc1nccs1)c1cc(Cl)ccn1 ZINC000733974890 574645327 /nfs/dbraw/zinc/64/53/27/574645327.db2.gz OUNUWCNNUNPBNN-UHFFFAOYSA-N 0 0 313.835 3.104 20 10 DGCDRN CCCC[C@@H](CC)CNC(=O)NCc1cc(OC)ccc1O ZINC000734063528 574649152 /nfs/dbraw/zinc/64/91/52/574649152.db2.gz ICSMQJMUCWKCQA-CYBMUJFWSA-N 0 0 308.422 3.416 20 10 DGCDRN CCc1nc(C)c(C(=O)NCc2ccc(N(C)C)cc2C)s1 ZINC000734404058 574659555 /nfs/dbraw/zinc/65/95/55/574659555.db2.gz DTVVARBGHNXGEJ-UHFFFAOYSA-N 0 0 317.458 3.318 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CO[C@H]1CCCC[C@@H]1C ZINC000734406242 574660034 /nfs/dbraw/zinc/66/00/34/574660034.db2.gz OFIQJAGJZWVLPO-KSSFIOAISA-N 0 0 318.461 3.273 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(C)(C)CC1 ZINC000734687798 574672402 /nfs/dbraw/zinc/67/24/02/574672402.db2.gz USTMNSKGTOZQFC-UHFFFAOYSA-N 0 0 303.450 3.393 20 10 DGCDRN Brc1ccoc1CNCc1ccc2c(c1)CCO2 ZINC000735323096 574698139 /nfs/dbraw/zinc/69/81/39/574698139.db2.gz QRVPMZCCFGXNER-UHFFFAOYSA-N 0 0 308.175 3.267 20 10 DGCDRN CC(C)(CNC(=O)NCc1ccccc1O)Cc1ccccc1 ZINC000735382946 574700351 /nfs/dbraw/zinc/70/03/51/574700351.db2.gz LGNHNQKVVFVFOX-UHFFFAOYSA-N 0 0 312.413 3.460 20 10 DGCDRN CCCCOCC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000735630928 574709303 /nfs/dbraw/zinc/70/93/03/574709303.db2.gz FWENHKRVGXLNRX-UHFFFAOYSA-N 0 0 306.450 3.308 20 10 DGCDRN Cc1cc(C(=O)NCc2nonc2C)c(C)n1-c1cccc(C)c1 ZINC000735818355 574717250 /nfs/dbraw/zinc/71/72/50/574717250.db2.gz JUDNZJQZZOVKKX-UHFFFAOYSA-N 0 0 324.384 3.024 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H](O)C(C)(C)C ZINC000735836908 574717464 /nfs/dbraw/zinc/71/74/64/574717464.db2.gz NPVMZBHNZFGDDM-KRWDZBQOSA-N 0 0 318.461 3.042 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cnc(-c3ccccc3)[nH]2)cc1 ZINC000736067099 574730177 /nfs/dbraw/zinc/73/01/77/574730177.db2.gz DQLRIDMPVBSSQG-UHFFFAOYSA-N 0 0 320.396 3.073 20 10 DGCDRN Cc1cc(O)c(CN2CC[S@](=O)[C@H](C)[C@H]2C)cc1C(C)C ZINC000736599207 574760333 /nfs/dbraw/zinc/76/03/33/574760333.db2.gz PJQSLLAWTGTZQY-LKBUQDJMSA-N 0 0 309.475 3.165 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2cc3occc3s2)c1 ZINC000736680868 574802562 /nfs/dbraw/zinc/80/25/62/574802562.db2.gz YSCBMTKLVOXAKV-UHFFFAOYSA-N 0 0 303.339 3.139 20 10 DGCDRN Cc1ccc(C(=O)OCc2ccc3ccccc3n2)c(O)c1O ZINC000736807918 574806911 /nfs/dbraw/zinc/80/69/11/574806911.db2.gz AXQSCCUPJABMQG-UHFFFAOYSA-N 0 0 309.321 3.311 20 10 DGCDRN CC[C@H](COC)NC(=O)c1sccc1-n1c(C)ccc1C ZINC000737980442 574857892 /nfs/dbraw/zinc/85/78/92/574857892.db2.gz QPQYCJUQSQWCFB-CYBMUJFWSA-N 0 0 306.431 3.310 20 10 DGCDRN CCN(Cc1cccc(OC)n1)c1ccc(OC)c(OC)c1 ZINC000738309332 574865481 /nfs/dbraw/zinc/86/54/81/574865481.db2.gz NFGBPRNLOPGPFY-UHFFFAOYSA-N 0 0 302.374 3.134 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)[C@@H](C)C(=O)OC(C)(C)C ZINC000738877043 574885339 /nfs/dbraw/zinc/88/53/39/574885339.db2.gz NZEKHLGLVQWTJJ-AWEZNQCLSA-N 0 0 306.450 3.305 20 10 DGCDRN O=C([O-])[C@@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000739597951 574908829 /nfs/dbraw/zinc/90/88/29/574908829.db2.gz IGZWTUZADKSYKT-LLVKDONJSA-N 0 0 311.337 3.198 20 10 DGCDRN COc1ccc(N(Cc2ccco2)C[C@@H]2CCOC2)cc1F ZINC000739926061 574916252 /nfs/dbraw/zinc/91/62/52/574916252.db2.gz HKGWDHUNONAPJK-ZDUSSCGKSA-N 0 0 305.349 3.470 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)N(CC(C)C)C2CC2)cc1 ZINC000739927300 574916294 /nfs/dbraw/zinc/91/62/94/574916294.db2.gz TZSJIRNAYQVIPX-UHFFFAOYSA-N 0 0 304.434 3.169 20 10 DGCDRN CCc1ccccc1CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000740678862 574938866 /nfs/dbraw/zinc/93/88/66/574938866.db2.gz YAWVLCDBASGWDN-UHFFFAOYSA-N 0 0 311.429 3.314 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1nc(C)n2ccccc12 ZINC000740745444 574941435 /nfs/dbraw/zinc/94/14/35/574941435.db2.gz YLVZTGQTCFAPCI-UHFFFAOYSA-N 0 0 323.396 3.401 20 10 DGCDRN CCN(C)c1ccc(Cn2c(=O)onc2-c2cccs2)cc1 ZINC000741733261 574968245 /nfs/dbraw/zinc/96/82/45/574968245.db2.gz FWJDDLOLVXEUIT-UHFFFAOYSA-N 0 0 315.398 3.069 20 10 DGCDRN COc1ccc(N2CCC(Nc3ccc(F)cn3)CC2)cc1 ZINC000741751081 574968809 /nfs/dbraw/zinc/96/88/09/574968809.db2.gz QFESNDLXDAWCQD-UHFFFAOYSA-N 0 0 301.365 3.310 20 10 DGCDRN Cc1ccncc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000741899823 574975684 /nfs/dbraw/zinc/97/56/84/574975684.db2.gz JRCVIOMELBDEMB-UHFFFAOYSA-N 0 0 309.413 3.261 20 10 DGCDRN Cc1cc(C(=O)NCc2c[nH]cn2)c(C)n1-c1cccc(C)c1 ZINC000742179055 574983929 /nfs/dbraw/zinc/98/39/29/574983929.db2.gz RMYATIUBKOTVHH-UHFFFAOYSA-N 0 0 308.385 3.056 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1c[nH]cn1 ZINC000742179777 574983979 /nfs/dbraw/zinc/98/39/79/574983979.db2.gz LDXVBOVVDXHDJX-UHFFFAOYSA-N 0 0 308.385 3.056 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC1(O)CCCC1 ZINC000742245132 574987670 /nfs/dbraw/zinc/98/76/70/574987670.db2.gz BOSKWBZEMZYJLD-UHFFFAOYSA-N 0 0 318.461 3.185 20 10 DGCDRN C[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)C(F)(F)F ZINC000742589538 575007901 /nfs/dbraw/zinc/00/79/01/575007901.db2.gz QCTJLXLMYZSCLW-GFCCVEGCSA-N 0 0 314.351 3.492 20 10 DGCDRN Cc1ccc([C@@H](C)C(=O)NCc2ccc(N(C)C)c(F)c2)o1 ZINC000742597033 575008345 /nfs/dbraw/zinc/00/83/45/575008345.db2.gz JHUFLCPYPWWODQ-GFCCVEGCSA-N 0 0 304.365 3.213 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C\c1ccccc1 ZINC000742952573 575025642 /nfs/dbraw/zinc/02/56/42/575025642.db2.gz MCSOENRPQPTLKO-FLIBITNWSA-N 0 0 308.381 3.191 20 10 DGCDRN C/C(=C\C(=O)N1CCOc2cc(N(C)C)ccc21)C(C)(C)C ZINC000742951935 575025753 /nfs/dbraw/zinc/02/57/53/575025753.db2.gz BMZOVGTUYYUXSK-ACCUITESSA-N 0 0 302.418 3.470 20 10 DGCDRN CCOc1cccc(NC(=S)NCc2ccccc2O)c1 ZINC000742995409 575027970 /nfs/dbraw/zinc/02/79/70/575027970.db2.gz XVUGXHQIXFFYEN-UHFFFAOYSA-N 0 0 302.399 3.278 20 10 DGCDRN O=C(NCc1ccccc1O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000743326685 575043326 /nfs/dbraw/zinc/04/33/26/575043326.db2.gz GRZNAFCRFJMDDT-YLJYHZDGSA-N 0 0 307.393 3.303 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CC[C@H]1CC[C@H](C)O1 ZINC000743415571 575049881 /nfs/dbraw/zinc/04/98/81/575049881.db2.gz GHVXUIPWQCIRPW-WMLDXEAASA-N 0 0 304.434 3.025 20 10 DGCDRN CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1cccc(Br)c1[O-] ZINC000743499198 575054735 /nfs/dbraw/zinc/05/47/35/575054735.db2.gz JJMGGZFPIOEQIX-PWSUYJOCSA-N 0 0 316.239 3.041 20 10 DGCDRN COc1cccc(F)c1[C@@H](C)NC(=O)NCc1ccccc1O ZINC000743658869 575060199 /nfs/dbraw/zinc/06/01/99/575060199.db2.gz BHKWPNMRQWJUBA-LLVKDONJSA-N 0 0 318.348 3.100 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)Cc2ccccc2Cl)c1 ZINC000728980585 575199084 /nfs/dbraw/zinc/19/90/84/575199084.db2.gz LCECHBAOBMTDQH-NSHDSACASA-N 0 0 319.788 3.474 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCc2cccs2)c1 ZINC000728983746 575199326 /nfs/dbraw/zinc/19/93/26/575199326.db2.gz DWDOJJJDLWQJSF-LLVKDONJSA-N 0 0 305.399 3.272 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3ccccc3n2)c1 ZINC000728984379 575199358 /nfs/dbraw/zinc/19/93/58/575199358.db2.gz PAZWZOZOBWYLDD-GFCCVEGCSA-N 0 0 322.364 3.440 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(F)ccc2F)c1 ZINC000728985360 575199691 /nfs/dbraw/zinc/19/96/91/575199691.db2.gz WPBGSOUHQVOWRW-VIFPVBQESA-N 0 0 307.296 3.170 20 10 DGCDRN CCOc1ccccc1C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000729280976 575231920 /nfs/dbraw/zinc/23/19/20/575231920.db2.gz YGHDNLNHGPYREE-GFCCVEGCSA-N 0 0 315.369 3.291 20 10 DGCDRN CC[C@H](CC(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C ZINC000729297978 575233679 /nfs/dbraw/zinc/23/36/79/575233679.db2.gz MDJWTODMHUMPNL-MRXNPFEDSA-N 0 0 318.461 3.416 20 10 DGCDRN CC[C@@H](CC(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C ZINC000729297977 575233683 /nfs/dbraw/zinc/23/36/83/575233683.db2.gz MDJWTODMHUMPNL-INIZCTEOSA-N 0 0 318.461 3.416 20 10 DGCDRN COCc1nc(CN2CCCc3cc(OC)ccc32)cs1 ZINC000744384016 575339578 /nfs/dbraw/zinc/33/95/78/575339578.db2.gz COTJJWXTEIJXDU-UHFFFAOYSA-N 0 0 304.415 3.251 20 10 DGCDRN C[C@H]1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)[C@H]1C ZINC000745788194 575417630 /nfs/dbraw/zinc/41/76/30/575417630.db2.gz GUHOPGQVKRBEOJ-GJZGRUSLSA-N 0 0 315.461 3.399 20 10 DGCDRN C[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)[C@@H]1C ZINC000745788196 575417846 /nfs/dbraw/zinc/41/78/46/575417846.db2.gz GUHOPGQVKRBEOJ-HUUCEWRRSA-N 0 0 315.461 3.399 20 10 DGCDRN C[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)[C@H]1C ZINC000745788192 575417941 /nfs/dbraw/zinc/41/79/41/575417941.db2.gz GUHOPGQVKRBEOJ-CABCVRRESA-N 0 0 315.461 3.399 20 10 DGCDRN COc1cccc(CNC(=O)NCC[C@@H]2CCC[C@@H](C)C2)c1O ZINC000745826696 575419392 /nfs/dbraw/zinc/41/93/92/575419392.db2.gz CFJVFFSTMBOGRT-KGLIPLIRSA-N 0 0 320.433 3.416 20 10 DGCDRN Cc1ccc(CC[C@@H](C)NC(=O)N(C)Cc2ccccc2O)o1 ZINC000745884254 575420908 /nfs/dbraw/zinc/42/09/08/575420908.db2.gz ZGSWHMNRRLEKBT-CYBMUJFWSA-N 0 0 316.401 3.456 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)C2CCC(=O)CC2)cc1 ZINC000746104906 575432720 /nfs/dbraw/zinc/43/27/20/575432720.db2.gz INBJJESVCZIACE-UHFFFAOYSA-N 0 0 316.445 3.251 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)CC2(O)CCCC2)cc1 ZINC000746105509 575432853 /nfs/dbraw/zinc/43/28/53/575432853.db2.gz XZCOACQWZREYCN-UHFFFAOYSA-N 0 0 318.461 3.186 20 10 DGCDRN CCN(CC(=O)N1CCc2ccccc2C1)c1ccc(OC)cc1 ZINC000746109969 575433182 /nfs/dbraw/zinc/43/31/82/575433182.db2.gz YFORZVSLMGMVNQ-UHFFFAOYSA-N 0 0 324.424 3.106 20 10 DGCDRN CCN(CC(=O)N[C@@H]1CCCC[C@@H]1C)c1ccc(OC)cc1 ZINC000746109774 575433188 /nfs/dbraw/zinc/43/31/88/575433188.db2.gz VLIICXSQRWKNHS-WMLDXEAASA-N 0 0 304.434 3.216 20 10 DGCDRN CCOc1ccc(N(CC)Cc2cc(=O)n3ccccc3n2)cc1 ZINC000746159493 575436702 /nfs/dbraw/zinc/43/67/02/575436702.db2.gz UIKQYXNIYPFMDM-UHFFFAOYSA-N 0 0 323.396 3.120 20 10 DGCDRN COc1ccc(N(CC(=O)N(C)CC2CC2)CC(C)C)cc1 ZINC000746170428 575437430 /nfs/dbraw/zinc/43/74/30/575437430.db2.gz SHRMHZXYHDBDDI-UHFFFAOYSA-N 0 0 304.434 3.026 20 10 DGCDRN Cc1cc(CCNC(=O)c2cccn2C)c(C)n1-c1ccccc1 ZINC000746427942 575452618 /nfs/dbraw/zinc/45/26/18/575452618.db2.gz ZYQMBEDIBQDXPQ-UHFFFAOYSA-N 0 0 321.424 3.405 20 10 DGCDRN Cc1cc(CCNC(=O)c2ccc[nH]2)c(C)n1-c1ccccc1 ZINC000746426073 575452639 /nfs/dbraw/zinc/45/26/39/575452639.db2.gz XUWACTRELWCXFB-UHFFFAOYSA-N 0 0 307.397 3.395 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1ncc(C(C)(C)C)o1 ZINC000746497819 575456231 /nfs/dbraw/zinc/45/62/31/575456231.db2.gz RSZJRKANMOLAIP-UHFFFAOYSA-N 0 0 315.417 3.437 20 10 DGCDRN Cc1ccc(OCCCC(=O)NCc2ccccc2O)cc1C ZINC000746688971 575469979 /nfs/dbraw/zinc/46/99/79/575469979.db2.gz MMTIWMAGAJYCSN-UHFFFAOYSA-N 0 0 313.397 3.484 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)cc1F ZINC000746811934 575476028 /nfs/dbraw/zinc/47/60/28/575476028.db2.gz UQTDRCUYGOMGSE-UHFFFAOYSA-N 0 0 312.388 3.447 20 10 DGCDRN CC[C@H](SC)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000746840046 575478310 /nfs/dbraw/zinc/47/83/10/575478310.db2.gz XSLVGLZBIILTKL-INIZCTEOSA-N 0 0 306.475 3.435 20 10 DGCDRN COC(=O)/C=C/c1ccc(N2C[C@H](C)CC2(C)C)c([N+](=O)[O-])c1 ZINC000747227042 575507477 /nfs/dbraw/zinc/50/74/77/575507477.db2.gz WPKYKDFBNDSUPW-WAFBPQNNSA-N 0 0 318.373 3.406 20 10 DGCDRN CCN(C)c1ccc(Cn2ncc(Cl)c(Cl)c2=O)cc1 ZINC000747805063 575542588 /nfs/dbraw/zinc/54/25/88/575542588.db2.gz NGYGNINRMZFQIQ-UHFFFAOYSA-N 0 0 312.200 3.055 20 10 DGCDRN COc1ccc(N(Cc2nc([C@@H](C)OC)no2)CC(C)C)cc1 ZINC000747840888 575545458 /nfs/dbraw/zinc/54/54/58/575545458.db2.gz ZVUOLHXRSXARJR-CYBMUJFWSA-N 0 0 319.405 3.448 20 10 DGCDRN COc1ccc2c(c1)CCN2Cc1ccc([N+](=O)[O-])cc1F ZINC000747840861 575545702 /nfs/dbraw/zinc/54/57/02/575545702.db2.gz XMPSRDUKLOQJGQ-UHFFFAOYSA-N 0 0 302.305 3.305 20 10 DGCDRN C[C@@H]1CCC[C@@H](C)C1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000747864260 575546988 /nfs/dbraw/zinc/54/69/88/575546988.db2.gz MIIIUCXFRZRWLJ-ZIAGYGMSSA-N 0 0 303.450 3.377 20 10 DGCDRN COc1ccccc1C[C@H](NC(=O)C1=CC(=O)CS1)C(C)C ZINC000747943350 575552816 /nfs/dbraw/zinc/55/28/16/575552816.db2.gz GJWTYOKPUQWXIN-AWEZNQCLSA-N 0 0 319.426 3.459 20 10 DGCDRN Cc1nc2ccccc2c(C)c1CC(=O)NCc1ccccc1O ZINC000748347422 575581172 /nfs/dbraw/zinc/58/11/72/575581172.db2.gz ZTXIZHINZUKSMM-UHFFFAOYSA-N 0 0 320.392 3.416 20 10 DGCDRN O=C(NCc1ccccc1O)c1cccn1Cc1cccs1 ZINC000748346288 575581771 /nfs/dbraw/zinc/58/17/71/575581771.db2.gz UXTLZRSELMSJNN-UHFFFAOYSA-N 0 0 312.394 3.234 20 10 DGCDRN Cc1cccc(CSCC(=O)NCc2ccccc2O)c1 ZINC000748354330 575583148 /nfs/dbraw/zinc/58/31/48/575583148.db2.gz JZTKZKWJWSDDIU-UHFFFAOYSA-N 0 0 301.411 3.250 20 10 DGCDRN C[C@@H](NC(=O)NCc1ccccc1O)c1c(F)cccc1F ZINC000748460321 575588118 /nfs/dbraw/zinc/58/81/18/575588118.db2.gz NXUDPUNMILQBIP-SNVBAGLBSA-N 0 0 306.312 3.231 20 10 DGCDRN Cc1ccc(CCCNC(=O)NCc2ccccc2O)c(C)c1 ZINC000748463554 575588707 /nfs/dbraw/zinc/58/87/07/575588707.db2.gz WFZHEACZXNXSMX-UHFFFAOYSA-N 0 0 312.413 3.441 20 10 DGCDRN CN(C)c1ccc(CNc2nccc3c2C(=O)OC3(C)C)cc1 ZINC000749096974 575626590 /nfs/dbraw/zinc/62/65/90/575626590.db2.gz BYSNZDWSFNPHER-UHFFFAOYSA-N 0 0 311.385 3.165 20 10 DGCDRN COc1cccnc1NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000749269886 575640839 /nfs/dbraw/zinc/64/08/39/575640839.db2.gz MFCUNLFBDLHWHB-UHFFFAOYSA-N 0 0 322.368 3.145 20 10 DGCDRN Cn1c(C(=O)NCc2ccccc2O)ccc1-c1ccc(F)cc1 ZINC000749267144 575640848 /nfs/dbraw/zinc/64/08/48/575640848.db2.gz FGLRDDYTWSPEJL-UHFFFAOYSA-N 0 0 324.355 3.467 20 10 DGCDRN Oc1ccc(CCNc2ccnc(-c3ccccc3)n2)cc1O ZINC000749286938 575642790 /nfs/dbraw/zinc/64/27/90/575642790.db2.gz DCCZJEWKLRMNOY-UHFFFAOYSA-N 0 0 307.353 3.209 20 10 DGCDRN CCO[C@H]1C[C@@H](NC(=O)NCc2ccccc2O)C1(CC)CC ZINC000749559404 575664957 /nfs/dbraw/zinc/66/49/57/575664957.db2.gz RYISOFVFQDVPHG-CVEARBPZSA-N 0 0 320.433 3.175 20 10 DGCDRN CCCCN1CC(=O)N[C@H]1c1cc(-c2ccccc2)ccc1O ZINC000749699682 575673249 /nfs/dbraw/zinc/67/32/49/575673249.db2.gz HWFZPGSBBOJZFA-LJQANCHMSA-N 0 0 310.397 3.290 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@H]2CCCC2(C)C)cc1F ZINC000750295335 575716971 /nfs/dbraw/zinc/71/69/71/575716971.db2.gz AJTVONSGNWTQLA-HNNXBMFYSA-N 0 0 307.413 3.270 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1n[nH]c2ccccc21 ZINC000750861473 575756485 /nfs/dbraw/zinc/75/64/85/575756485.db2.gz GEEAAOUABGXAIF-UHFFFAOYSA-N 0 0 309.369 3.321 20 10 DGCDRN Cc1ccc(N2C(=O)/C(=C/c3cn[nH]c3)SC2=S)cc1 ZINC000751527001 575788916 /nfs/dbraw/zinc/78/89/16/575788916.db2.gz QLXHWSPQVMHDRE-SDQBBNPISA-N 0 0 301.396 3.124 20 10 DGCDRN CCOc1ccc(CN(C)C(=O)c2ccc(C)c(O)c2O)cc1 ZINC000751529300 575788923 /nfs/dbraw/zinc/78/89/23/575788923.db2.gz AWEANFYSDFEQDD-UHFFFAOYSA-N 0 0 315.369 3.077 20 10 DGCDRN CCSCCOC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000751930185 575812773 /nfs/dbraw/zinc/81/27/73/575812773.db2.gz BBEILLGFURJYIN-UHFFFAOYSA-N 0 0 322.455 3.226 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C)[C@H](C)C2)cc1 ZINC000752005458 575817486 /nfs/dbraw/zinc/81/74/86/575817486.db2.gz QOINQFPAPWLRJI-HUUCEWRRSA-N 0 0 303.450 3.330 20 10 DGCDRN COc1ccc(N(C)Cc2cccc3nsnc32)c(OC)c1 ZINC000752112592 575823781 /nfs/dbraw/zinc/82/37/81/575823781.db2.gz IWAAJERQNDIQTA-UHFFFAOYSA-N 0 0 315.398 3.345 20 10 DGCDRN COc1ccc(CCN(C)c2ccc(OC)cc2OC)cc1 ZINC000752123660 575823935 /nfs/dbraw/zinc/82/39/35/575823935.db2.gz VJPDOENHTCLHBK-UHFFFAOYSA-N 0 0 301.386 3.391 20 10 DGCDRN Cc1ccncc1/C=C\C(=O)NCCCSc1nccs1 ZINC000752352610 575833340 /nfs/dbraw/zinc/83/33/40/575833340.db2.gz UQVVWOPHRGWIBK-ARJAWSKDSA-N 0 0 319.455 3.158 20 10 DGCDRN COc1ccc(Cl)c(NC(=S)NCc2cccn2C)c1 ZINC000743062185 575908343 /nfs/dbraw/zinc/90/83/43/575908343.db2.gz UMYDEEWNIBDHKM-UHFFFAOYSA-N 0 0 309.822 3.174 20 10 DGCDRN COc1ccc(OC)c(NC(=S)NNc2ccccc2)c1 ZINC000726434391 576022140 /nfs/dbraw/zinc/02/21/40/576022140.db2.gz NGEFVAHTLJTBRO-UHFFFAOYSA-N 0 0 303.387 3.017 20 10 DGCDRN COc1ccc(OC)c(NC(=S)NNc2cccc(F)c2)c1 ZINC000726478044 576026507 /nfs/dbraw/zinc/02/65/07/576026507.db2.gz FJBMWAFLFVYKPX-UHFFFAOYSA-N 0 0 321.377 3.156 20 10 DGCDRN COC(=O)c1coc(CN2CCCc3cc(OC)ccc32)c1 ZINC000726596357 576032306 /nfs/dbraw/zinc/03/23/06/576032306.db2.gz IHYNNJLOZHGPGQ-UHFFFAOYSA-N 0 0 301.342 3.028 20 10 DGCDRN CCOc1ccc(N(C)Cc2nc(-c3ccccn3)no2)cc1 ZINC000739923164 576052005 /nfs/dbraw/zinc/05/20/05/576052005.db2.gz YOODZOIUVQNMMS-UHFFFAOYSA-N 0 0 310.357 3.167 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)N[C@H]2CCCC[C@H]2C)cc1 ZINC000739926603 576053144 /nfs/dbraw/zinc/05/31/44/576053144.db2.gz IJSMXBSOGKRPSI-PBHICJAKSA-N 0 0 304.434 3.216 20 10 DGCDRN COc1ccc(OCC[N@H+](C)Cc2ccc(N(C)C)cc2)cc1 ZINC000726980657 576091439 /nfs/dbraw/zinc/09/14/39/576091439.db2.gz DQAVZJBCDIAQBO-UHFFFAOYSA-N 0 0 314.429 3.272 20 10 DGCDRN Cc1ccc(F)c(C(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000727090677 576106863 /nfs/dbraw/zinc/10/68/63/576106863.db2.gz CMHBMQZVALTLQJ-UHFFFAOYSA-N 0 0 304.340 3.269 20 10 DGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cscn1 ZINC000728518379 576186975 /nfs/dbraw/zinc/18/69/75/576186975.db2.gz HGRNFZIFKXSYBE-UHFFFAOYSA-N 0 0 301.415 3.063 20 10 DGCDRN CCOC(=O)COC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000916587490 620637356 /nfs/dbraw/zinc/63/73/56/620637356.db2.gz SEVWXRSUVCICTQ-UHFFFAOYSA-N 0 0 315.369 3.122 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C(C)C)C2CC2)c1 ZINC000852649641 620637514 /nfs/dbraw/zinc/63/75/14/620637514.db2.gz RDCLKFLHFFQNHR-BDJLRTHQSA-N 0 0 306.406 3.196 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)NCc2ccoc2)cc1 ZINC000916636126 620640551 /nfs/dbraw/zinc/64/05/51/620640551.db2.gz WNAQMWLJFPOLHM-UHFFFAOYSA-N 0 0 315.417 3.467 20 10 DGCDRN Cc1cc(CN[C@H](CO)c2ccc(F)cc2F)ccc1N(C)C ZINC000852713945 620641938 /nfs/dbraw/zinc/64/19/38/620641938.db2.gz RSLZLTJUEGCGGA-QGZVFWFLSA-N 0 0 320.383 3.162 20 10 DGCDRN CC1(C)CN(C(=O)Cc2ccc(N)cc2)[C@@H]1c1cccs1 ZINC000852872352 620653345 /nfs/dbraw/zinc/65/33/45/620653345.db2.gz DZEWENJVYOOSMD-MRXNPFEDSA-N 0 0 300.427 3.483 20 10 DGCDRN CCc1cc(NCc2ccc(N(CC)CC)cc2)n2ncnc2n1 ZINC000917085144 620655607 /nfs/dbraw/zinc/65/56/07/620655607.db2.gz BBJKKUYHQZVDOU-UHFFFAOYSA-N 0 0 324.432 3.145 20 10 DGCDRN CCOC(=O)c1cnc(SC(=S)N(CC)CC)s1 ZINC000853085593 620666818 /nfs/dbraw/zinc/66/68/18/620666818.db2.gz RJFARZBGPFQCFO-UHFFFAOYSA-N 0 0 304.462 3.039 20 10 DGCDRN Cc1cc2nc(Cl)cc(NCc3ccc(N(C)C)cc3)n2n1 ZINC000853093725 620668160 /nfs/dbraw/zinc/66/81/60/620668160.db2.gz JQVMTCGLFWLLNL-UHFFFAOYSA-N 0 0 315.808 3.369 20 10 DGCDRN Cc1cc(CC(=O)OC2CCOCC2)c(C)n1-c1ccccc1 ZINC000853112494 620670037 /nfs/dbraw/zinc/67/00/37/620670037.db2.gz CVSXWKDLNNSZKO-UHFFFAOYSA-N 0 0 313.397 3.359 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000917504038 620671303 /nfs/dbraw/zinc/67/13/03/620671303.db2.gz ZPJHXWRILCNQKE-UKRRQHHQSA-N 0 0 318.442 3.453 20 10 DGCDRN CCCN(CCC)c1ccc([C@H]2NC(=O)CN2CC(C)C)cc1 ZINC000917505719 620672117 /nfs/dbraw/zinc/67/21/17/620672117.db2.gz DDDZCISBQZUCPE-IBGZPJMESA-N 0 0 317.477 3.399 20 10 DGCDRN Cc1cc(C(=O)O[C@H](C)c2nc[nH]n2)c(C)n1-c1cccc(C)c1 ZINC000853214163 620677820 /nfs/dbraw/zinc/67/78/20/620677820.db2.gz NGIJKWSMAHFZMJ-CQSZACIVSA-N 0 0 324.384 3.439 20 10 DGCDRN CN(C(=O)/C=C/c1cnc2ccccc2n1)c1ccc(F)cc1 ZINC000917778509 620683903 /nfs/dbraw/zinc/68/39/03/620683903.db2.gz XEVMHKZXOBIWRE-DHZHZOJOSA-N 0 0 307.328 3.445 20 10 DGCDRN CC(C)CCC[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1O ZINC000111235922 620685182 /nfs/dbraw/zinc/68/51/82/620685182.db2.gz PSGIKSVSMWDVLY-HNNXBMFYSA-N 0 0 306.450 3.155 20 10 DGCDRN CC[C@@H](C)CN(C)C(=O)NCCCSc1nccs1 ZINC000154677507 620703007 /nfs/dbraw/zinc/70/30/07/620703007.db2.gz BDQWNYBQLIXRAQ-LLVKDONJSA-N 0 0 301.481 3.313 20 10 DGCDRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccccc1O ZINC000111393502 620706137 /nfs/dbraw/zinc/70/61/37/620706137.db2.gz NMMKIFZAPMXREH-OAHLLOKOSA-N 0 0 322.449 3.421 20 10 DGCDRN COc1cc(O)c(CN2CC[C@H]2c2ccc(F)cc2)cc1OC ZINC000853544804 620709007 /nfs/dbraw/zinc/70/90/07/620709007.db2.gz KGOXJOVSISFWGY-HNNXBMFYSA-N 0 0 317.360 3.496 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1nncs1 ZINC000918541215 620714060 /nfs/dbraw/zinc/71/40/60/620714060.db2.gz AZHKLHATBFIWPQ-UHFFFAOYSA-N 0 0 319.434 3.047 20 10 DGCDRN COCCN(C)C(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000918671082 620718251 /nfs/dbraw/zinc/71/82/51/620718251.db2.gz AHSQZYCIYNOIHA-UHFFFAOYSA-N 0 0 300.402 3.121 20 10 DGCDRN COC(=O)c1cnc(Sc2cc(C(C)(C)C)ncn2)s1 ZINC000853651759 620720475 /nfs/dbraw/zinc/72/04/75/620720475.db2.gz OCFZFRWLOXYJER-UHFFFAOYSA-N 0 0 309.416 3.168 20 10 DGCDRN CC(C)(C)n1cc(COc2ccc(N3CCCC3)cc2)nn1 ZINC000853675094 620723568 /nfs/dbraw/zinc/72/35/68/620723568.db2.gz NDKFSXVKBMVPRP-UHFFFAOYSA-N 0 0 300.406 3.212 20 10 DGCDRN COc1ccc(N2CC[C@@H](Nc3ccnc(C(C)C)n3)C2)cc1 ZINC000853759079 620734468 /nfs/dbraw/zinc/73/44/68/620734468.db2.gz ORFGDPFWJSQHNS-CQSZACIVSA-N 0 0 312.417 3.299 20 10 DGCDRN COc1ccc(N2CC[C@H](Nc3nnc(C4CC4)s3)C2)cc1 ZINC000853758148 620734520 /nfs/dbraw/zinc/73/45/20/620734520.db2.gz APQDSDLDLVUWMX-LBPRGKRZSA-N 0 0 316.430 3.115 20 10 DGCDRN COc1ccc(N2CC[C@@H](Nc3ncccc3Cl)C2)cc1 ZINC000853758804 620734528 /nfs/dbraw/zinc/73/45/28/620734528.db2.gz KRWRSNRWSMAWBA-GFCCVEGCSA-N 0 0 303.793 3.434 20 10 DGCDRN CCc1csc(N[C@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000853758618 620734571 /nfs/dbraw/zinc/73/45/71/620734571.db2.gz IKDSMUAFNKUHIO-ZDUSSCGKSA-N 0 0 303.431 3.405 20 10 DGCDRN COc1ccc(N2CC[C@H](Nc3cnc4ccccc4n3)C2)cc1 ZINC000853758601 620734264 /nfs/dbraw/zinc/73/42/64/620734264.db2.gz IDVSFWCUJXXSAJ-AWEZNQCLSA-N 0 0 320.396 3.329 20 10 DGCDRN CCCc1nsc(N[C@@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000853760612 620735006 /nfs/dbraw/zinc/73/50/06/620735006.db2.gz LGUVXBWBPVLLPW-GFCCVEGCSA-N 0 0 318.446 3.190 20 10 DGCDRN CC[C@](C)(NC(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1 ZINC000853776794 620736784 /nfs/dbraw/zinc/73/67/84/620736784.db2.gz WGMONVVHPNIQKP-IBGZPJMESA-N 0 0 313.445 3.441 20 10 DGCDRN Cc1ncc(/C=C/C(=O)N2CC3(CC3)Oc3ccccc32)s1 ZINC000890618435 617626775 /nfs/dbraw/zinc/62/67/75/617626775.db2.gz OGEAHTMKCIALKW-VOTSOKGWSA-N 0 0 312.394 3.423 20 10 DGCDRN Cc1noc(C(C)C)c1C(=O)NCc1cccc(Cl)c1O ZINC000890758431 617656327 /nfs/dbraw/zinc/65/63/27/617656327.db2.gz YDQMBBCNEYGINF-UHFFFAOYSA-N 0 0 308.765 3.395 20 10 DGCDRN CC(C)(C(=O)NCc1cccc(Cl)c1O)C1CCOCC1 ZINC000890759375 617656470 /nfs/dbraw/zinc/65/64/70/617656470.db2.gz KKAASEIXNVXIQR-UHFFFAOYSA-N 0 0 311.809 3.115 20 10 DGCDRN Cc1csc([C@H](C)C(=O)NCc2cccc(Cl)c2O)n1 ZINC000890759488 617656541 /nfs/dbraw/zinc/65/65/41/617656541.db2.gz LJAZADOAUBXMDY-SECBINFHSA-N 0 0 310.806 3.230 20 10 DGCDRN Cc1csc(CCCC(=O)NCc2cccc(Cl)c2O)n1 ZINC000890759239 617656561 /nfs/dbraw/zinc/65/65/61/617656561.db2.gz IBAUFXHADVPDEE-UHFFFAOYSA-N 0 0 324.833 3.450 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1CCc2ccccc2C1 ZINC000890760916 617657013 /nfs/dbraw/zinc/65/70/13/617657013.db2.gz DTUZFHHHPPHSMB-CQSZACIVSA-N 0 0 315.800 3.467 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1cnc(NC2CC2)s1 ZINC000890763032 617658436 /nfs/dbraw/zinc/65/84/36/617658436.db2.gz NEIYRBGECQHWFZ-UHFFFAOYSA-N 0 0 323.805 3.006 20 10 DGCDRN CC1(C)CC[C@H](CC(=O)NCc2cccc(Cl)c2O)OC1 ZINC000890763118 617658488 /nfs/dbraw/zinc/65/84/88/617658488.db2.gz NSRXZIIDDQHVOR-GFCCVEGCSA-N 0 0 311.809 3.257 20 10 DGCDRN CC(C)[C@@H]1C[C@H]1C(=O)NCc1cc(Br)ccc1O ZINC000804738640 617661960 /nfs/dbraw/zinc/66/19/60/617661960.db2.gz YFDKQPUXFYTRNL-NWDGAFQWSA-N 0 0 312.207 3.063 20 10 DGCDRN O=C(NCc1cc(Br)ccc1O)c1cccc(F)c1 ZINC000804738087 617662417 /nfs/dbraw/zinc/66/24/17/617662417.db2.gz BLNWELZPMJTYCJ-UHFFFAOYSA-N 0 0 324.149 3.224 20 10 DGCDRN C[C@H]1CC[C@H](C(=O)NCc2cc(Br)ccc2O)C1 ZINC000804738329 617662702 /nfs/dbraw/zinc/66/27/02/617662702.db2.gz MCWVHKQOTUQCEX-UWVGGRQHSA-N 0 0 312.207 3.207 20 10 DGCDRN CO[C@@H](C)CN(C)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000804840692 617699124 /nfs/dbraw/zinc/69/91/24/617699124.db2.gz OARMYQKDLOFFBU-ZDUSSCGKSA-N 0 0 318.392 3.340 20 10 DGCDRN CC(C)CCNC(=O)NCc1cc(Br)ccc1O ZINC000804858407 617759297 /nfs/dbraw/zinc/75/92/97/617759297.db2.gz VSKLUNZDZOPYNF-UHFFFAOYSA-N 0 0 315.211 3.000 20 10 DGCDRN COc1ccc(CN(C)Cc2ccc(F)cc2F)c(O)c1OC ZINC000891559107 617834673 /nfs/dbraw/zinc/83/46/73/617834673.db2.gz IZCDGHMAOFXBQX-UHFFFAOYSA-N 0 0 323.339 3.320 20 10 DGCDRN CCn1c(C)nc([N+](=O)[O-])c1Sc1ncc(Cl)s1 ZINC000853964460 620756781 /nfs/dbraw/zinc/75/67/81/620756781.db2.gz NNEXFXPUJHLPHS-UHFFFAOYSA-N 0 0 304.784 3.381 20 10 DGCDRN CCOc1ccc(NCc2ccc(OC)c(OC)c2O)cc1 ZINC000892252932 617995612 /nfs/dbraw/zinc/99/56/12/617995612.db2.gz SRHJFWKOQFBHMX-UHFFFAOYSA-N 0 0 303.358 3.420 20 10 DGCDRN Nc1ccc(Cc2noc([C@H]3COC[C@@H]3c3ccccc3)n2)cc1 ZINC000854134639 620772348 /nfs/dbraw/zinc/77/23/48/620772348.db2.gz RPFJZGPMBARXRO-SJORKVTESA-N 0 0 321.380 3.140 20 10 DGCDRN COc1ccc(CNc2cccc(N(C)C)c2C)c(O)c1OC ZINC000892403678 618057942 /nfs/dbraw/zinc/05/79/42/618057942.db2.gz QIZRTUMQNYEMOY-UHFFFAOYSA-N 0 0 316.401 3.396 20 10 DGCDRN Cc1cc(C(=O)N(C)Cc2ccccn2)c(C)n1-c1ccccn1 ZINC000919985806 620776137 /nfs/dbraw/zinc/77/61/37/620776137.db2.gz KNANMJOSIWLACC-UHFFFAOYSA-N 0 0 320.396 3.156 20 10 DGCDRN CCN(CC)c1ccc(CN(C)Cc2nnc(C3CC3)o2)cc1 ZINC000920206515 620789500 /nfs/dbraw/zinc/78/95/00/620789500.db2.gz LQSZKIKSRHXSFR-UHFFFAOYSA-N 0 0 314.433 3.425 20 10 DGCDRN CCOc1ccc([C@@H]2NC(=O)c3cc(Cl)ccc3N2)c(O)c1 ZINC000920408192 620799187 /nfs/dbraw/zinc/79/91/87/620799187.db2.gz ZACSFOWEVVIDST-HNNXBMFYSA-N 0 0 318.760 3.298 20 10 DGCDRN Cc1nn(C)c2nc(N(C)Cc3ccccc3O)cc(Cl)c12 ZINC000893019555 618393492 /nfs/dbraw/zinc/39/34/92/618393492.db2.gz VQFPZROFSWEFSK-UHFFFAOYSA-N 0 0 316.792 3.272 20 10 DGCDRN CCc1c(C)nc2ncnn2c1Sc1ncc(Cl)s1 ZINC000894624172 618404138 /nfs/dbraw/zinc/40/41/38/618404138.db2.gz TZLQRVOZKDDPLJ-UHFFFAOYSA-N 0 0 311.823 3.256 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCCSC[C@H]1C ZINC000893052223 618405141 /nfs/dbraw/zinc/40/51/41/618405141.db2.gz DLGHPSTWRGZVKH-CQSZACIVSA-N 0 0 321.490 3.098 20 10 DGCDRN COc1ccc(CNc2ccccc2OCCF)c(O)c1OC ZINC000894669252 618417547 /nfs/dbraw/zinc/41/75/47/618417547.db2.gz XVNKATQKVATCDQ-UHFFFAOYSA-N 0 0 321.348 3.370 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cn2c(n1)CCCC2 ZINC000925077444 618418300 /nfs/dbraw/zinc/41/83/00/618418300.db2.gz ALWWGJVMEFFELO-OAHLLOKOSA-N 0 0 312.461 3.445 20 10 DGCDRN CS[C@@H]1CC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894881255 618486275 /nfs/dbraw/zinc/48/62/75/618486275.db2.gz UUHUACSHTXIOPN-SNVBAGLBSA-N 0 0 320.227 3.231 20 10 DGCDRN C[C@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)cc(F)c2[O-])CCN1C ZINC000775717188 618517052 /nfs/dbraw/zinc/51/70/52/618517052.db2.gz NOHBLMFXBGAEGZ-GWCFXTLKSA-N 0 0 300.805 3.099 20 10 DGCDRN CCN1C(=O)/C(=C/c2nc3c(s2)CCCC3)SC1=S ZINC000776263303 618523165 /nfs/dbraw/zinc/52/31/65/618523165.db2.gz RJKHGXMPVRVFGH-YFHOEESVSA-N 0 0 310.469 3.243 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)N[C@H](C1CC1)C1CCC1 ZINC000895289568 618588621 /nfs/dbraw/zinc/58/86/21/618588621.db2.gz YRUCNGJWOHUDLF-AWEZNQCLSA-N 0 0 308.809 3.424 20 10 DGCDRN COc1ccc(N(C)Cc2cnn(C3CCC3)c2)cc1OC ZINC000893572363 618609761 /nfs/dbraw/zinc/60/97/61/618609761.db2.gz GOTJTWFNWSDUAD-UHFFFAOYSA-N 0 0 301.390 3.262 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000840958115 618634500 /nfs/dbraw/zinc/63/45/00/618634500.db2.gz NOCJKOSOCYOZGS-ZBFHGGJFSA-N 0 0 303.789 3.354 20 10 DGCDRN CO[C@@](C)([C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC000840961313 618639155 /nfs/dbraw/zinc/63/91/55/618639155.db2.gz VBLOALCKTZHCMD-PSLIRLAXSA-N 0 0 301.789 3.478 20 10 DGCDRN CO[C@@](C)([C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC000840961317 618639228 /nfs/dbraw/zinc/63/92/28/618639228.db2.gz VBLOALCKTZHCMD-VFZGTOFNSA-N 0 0 301.789 3.478 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)NC1CCC(F)(F)CC1 ZINC000893903545 618672461 /nfs/dbraw/zinc/67/24/61/618672461.db2.gz XHOUFPAXDNTVTI-UHFFFAOYSA-N 0 0 318.751 3.423 20 10 DGCDRN COc1ccc(C[N@H+](C)Cc2cc(F)cc(F)c2[O-])cc1O ZINC000893974265 618685983 /nfs/dbraw/zinc/68/59/83/618685983.db2.gz RFPSTRQITUAOJT-UHFFFAOYSA-N 0 0 309.312 3.017 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000894096677 618709230 /nfs/dbraw/zinc/70/92/30/618709230.db2.gz WEBMHVWOZDPGJI-ZFWWWQNUSA-N 0 0 323.339 3.352 20 10 DGCDRN C[C@H](NC(=O)N1CC[C@@H]2CCC[C@@H]21)c1ccc(N(C)C)cc1 ZINC000894287563 618752724 /nfs/dbraw/zinc/75/27/24/618752724.db2.gz VVNKBSIYSSCOFG-QRTARXTBSA-N 0 0 301.434 3.398 20 10 DGCDRN C[C@@H](NC(=O)N1CC[C@@H]2CCC[C@@H]21)c1ccc(N(C)C)cc1 ZINC000894287561 618752729 /nfs/dbraw/zinc/75/27/29/618752729.db2.gz VVNKBSIYSSCOFG-KMFMINBZSA-N 0 0 301.434 3.398 20 10 DGCDRN CN=[S@](C)(=O)c1cccc(NCc2c(C)cccc2O)c1 ZINC000895731946 618824717 /nfs/dbraw/zinc/82/47/17/618824717.db2.gz SZGYWWDEACQCGE-OAQYLSRUSA-N 0 0 304.415 3.399 20 10 DGCDRN CN(C)c1ccc([S@@](C)(=O)=NCc2ccccc2O)cc1 ZINC000895734926 618825995 /nfs/dbraw/zinc/82/59/95/618825995.db2.gz BCBMWOYNLHBFJL-OAQYLSRUSA-N 0 0 304.415 3.115 20 10 DGCDRN O=C(OCc1ncc(Br)s1)C1=CC(=O)CS1 ZINC000788943087 625298741 /nfs/dbraw/zinc/29/87/41/625298741.db2.gz UDDLADHIVLLJRN-UHFFFAOYSA-N 0 0 320.189 3.030 20 10 DGCDRN CC1(CNC(=O)NCc2cccc(Cl)c2O)CC(F)(F)C1 ZINC000896423499 618911100 /nfs/dbraw/zinc/91/11/00/618911100.db2.gz SLPBZRRTCMYAHA-UHFFFAOYSA-N 0 0 318.751 3.280 20 10 DGCDRN Cn1ccc([C@@H]2CCC[N@H+](Cc3cccc(Cl)c3[O-])C2)n1 ZINC000896492544 618918369 /nfs/dbraw/zinc/91/83/69/618918369.db2.gz FCHJIHIZHLLZOI-GFCCVEGCSA-N 0 0 305.809 3.159 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCC(=O)C1CCCCCC1 ZINC000788958868 625302918 /nfs/dbraw/zinc/30/29/18/625302918.db2.gz WYFSVKXCPMIOFZ-CSKARUKUSA-N 0 0 318.369 3.194 20 10 DGCDRN [O-]c1cccc(F)c1C[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000896636577 618939496 /nfs/dbraw/zinc/93/94/96/618939496.db2.gz FYZJMJKZBVVCEL-UHFFFAOYSA-N 0 0 307.752 3.409 20 10 DGCDRN CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1c([O-])cccc1F ZINC000896637522 618939968 /nfs/dbraw/zinc/93/99/68/618939968.db2.gz JWFKQHJDGUWZIG-GIPWTMENSA-N 0 0 303.314 3.344 20 10 DGCDRN COC(=O)c1cc(C[NH2+]Cc2c([O-])cccc2F)[nH]c1C(C)C ZINC000896641148 618940360 /nfs/dbraw/zinc/94/03/60/618940360.db2.gz LIWKKUJPAGDNGE-UHFFFAOYSA-N 0 0 320.364 3.059 20 10 DGCDRN CS[C@@H]1CC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896697673 618947475 /nfs/dbraw/zinc/94/74/75/618947475.db2.gz WYEBSSBKSYYUQM-NXEZZACHSA-N 0 0 323.439 3.326 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CCCN1CC(F)(F)F ZINC000896841421 618967370 /nfs/dbraw/zinc/96/73/70/618967370.db2.gz YRHYAPABOGDSOK-NSHDSACASA-N 0 0 322.758 3.162 20 10 DGCDRN CN(C)[C@@H](CC[NH2+]Cc1cccc(Cl)c1[O-])C(F)(F)F ZINC000896877864 618974070 /nfs/dbraw/zinc/97/40/70/618974070.db2.gz FWVDKPGUPQEEMD-NSHDSACASA-N 0 0 310.747 3.018 20 10 DGCDRN C[C@@]1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCCS1 ZINC000896964190 618994607 /nfs/dbraw/zinc/99/46/07/618994607.db2.gz QFOKOLBUBRRXAJ-HNNXBMFYSA-N 0 0 323.439 3.328 20 10 DGCDRN [O-]c1c(C[NH2+]C[C@]2(c3ccccc3)CCCO2)ccc(F)c1F ZINC000897233295 619034123 /nfs/dbraw/zinc/03/41/23/619034123.db2.gz KXONDRNCZBNOKE-SFHVURJKSA-N 0 0 319.351 3.466 20 10 DGCDRN COc1cccc([C@H](C)CC(=O)NCc2c(O)cccc2F)c1 ZINC000928705628 619058839 /nfs/dbraw/zinc/05/88/39/619058839.db2.gz MKAYJHAXSVYKGD-GFCCVEGCSA-N 0 0 317.360 3.350 20 10 DGCDRN O=C(NC[C@@H]1CCCCS1)c1cc2cc(O)c(O)cc2s1 ZINC000897368692 619093385 /nfs/dbraw/zinc/09/33/85/619093385.db2.gz SFVDTZHWFTUYIE-JTQLQIEISA-N 0 0 323.439 3.328 20 10 DGCDRN CCC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C(=O)[O-] ZINC000840996850 619107741 /nfs/dbraw/zinc/10/77/41/619107741.db2.gz HBBGPMYEMLEWJO-CYBMUJFWSA-N 0 0 318.339 3.114 20 10 DGCDRN Cc1nn(C)c(C)c1CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841745528 619136237 /nfs/dbraw/zinc/13/62/37/619136237.db2.gz ZTLABDFIYQJYAX-JTQLQIEISA-N 0 0 307.825 3.289 20 10 DGCDRN C[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CCS1 ZINC000897563444 619160703 /nfs/dbraw/zinc/16/07/03/619160703.db2.gz MJEGKQZIKUQXQP-VIFPVBQESA-N 0 0 323.439 3.280 20 10 DGCDRN CCN(C)c1ccc(Cn2cc([C@H]3CCCCO3)nn2)cc1 ZINC000881313852 625324237 /nfs/dbraw/zinc/32/42/37/625324237.db2.gz VFDYFYFLASVBSJ-QGZVFWFLSA-N 0 0 300.406 3.024 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCCC3(CC3)C2)c1 ZINC000897783681 619182551 /nfs/dbraw/zinc/18/25/51/619182551.db2.gz HXPNXQOGJAMLKP-CHWSQXEVSA-N 0 0 318.417 3.484 20 10 DGCDRN CC1(C)C[C@H](NC(=O)NCc2c(O)cccc2F)CCS1 ZINC000897852975 619188696 /nfs/dbraw/zinc/18/86/96/619188696.db2.gz QTPOTVIVBBCIQH-SNVBAGLBSA-N 0 0 312.410 3.005 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1CCSC(C)(C)C1)c1ccccc1O ZINC000897854304 619188953 /nfs/dbraw/zinc/18/89/53/619188953.db2.gz DEDFRPKCKGARHP-VXGBXAGGSA-N 0 0 308.447 3.427 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1CCSC(C)(C)C1)c1ccccc1O ZINC000897854302 619189066 /nfs/dbraw/zinc/18/90/66/619189066.db2.gz DEDFRPKCKGARHP-NWDGAFQWSA-N 0 0 308.447 3.427 20 10 DGCDRN CCN(C)c1ccc(Cn2cc(-c3csc(C)n3)nn2)cc1 ZINC000881316923 625327498 /nfs/dbraw/zinc/32/74/98/625327498.db2.gz YCZYDSUOQNTGJC-UHFFFAOYSA-N 0 0 313.430 3.214 20 10 DGCDRN COc1cc(C)c(C[NH2+]Cc2cccc(Cl)c2[O-])c(C)n1 ZINC000898218712 619222915 /nfs/dbraw/zinc/22/29/15/619222915.db2.gz NLMMRVRONHGVEA-UHFFFAOYSA-N 0 0 306.793 3.356 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cnn(CC2CCC2)c1 ZINC000898177131 619223307 /nfs/dbraw/zinc/22/33/07/619223307.db2.gz LLZCQUQTJJQPNI-CQSZACIVSA-N 0 0 311.429 3.469 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CCN1C(=O)OC(C)(C)C)c1c([O-])cccc1F ZINC000927002617 619256150 /nfs/dbraw/zinc/25/61/50/619256150.db2.gz WJWRTZXLQJEWAB-RYUDHWBXSA-N 0 0 324.396 3.191 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCOC1CCSCC1 ZINC000898438603 619275156 /nfs/dbraw/zinc/27/51/56/619275156.db2.gz CWWIYIWYJAYSSA-UHFFFAOYSA-N 0 0 319.829 3.187 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCC[C@H]2CCC(F)(F)C2)c1 ZINC000898493339 619279718 /nfs/dbraw/zinc/27/97/18/619279718.db2.gz QHSVQMDCPPAVLZ-GFCCVEGCSA-N 0 0 312.360 3.325 20 10 DGCDRN C[C@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927161171 619306420 /nfs/dbraw/zinc/30/64/20/619306420.db2.gz PGLJVIFFPPSKFU-XHDPSFHLSA-N 0 0 306.362 3.053 20 10 DGCDRN CCN1C(=O)/C(=C/c2ccc3c(c2)CCCO3)SC1=S ZINC000899332857 619327260 /nfs/dbraw/zinc/32/72/60/619327260.db2.gz KFVFRAUWUVRKHV-LCYFTJDESA-N 0 0 305.424 3.233 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C\c1ccnn1C1CCC1 ZINC000899342012 619327265 /nfs/dbraw/zinc/32/72/65/619327265.db2.gz OWUGBHBJWJHOLW-KAMYIIQDSA-N 0 0 316.430 3.064 20 10 DGCDRN CN1C(=O)/C(=C/c2cnn(C3CCC3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000899381397 619335077 /nfs/dbraw/zinc/33/50/77/619335077.db2.gz PUNAFINFJZNKDC-VIZOYTHASA-N 0 0 324.340 3.033 20 10 DGCDRN Cc1csc(C[C@@H]2CCCN(C(=O)C3=CC(=O)CS3)C2)n1 ZINC000899538737 619352531 /nfs/dbraw/zinc/35/25/31/619352531.db2.gz ACFQXMBODFZMJO-NSHDSACASA-N 0 0 322.455 3.314 20 10 DGCDRN CCN1C(=O)/C(=C\c2cn(C)nc2C2CCCC2)SC1=S ZINC000901415359 619498028 /nfs/dbraw/zinc/49/80/28/619498028.db2.gz IKZFYBXSYRCOPU-XYOKQWHBSA-N 0 0 321.471 3.299 20 10 DGCDRN Cc1cccc(-c2cn(Cc3ccc(N(C)C)c(C)c3)nn2)n1 ZINC000881379107 625356551 /nfs/dbraw/zinc/35/65/51/625356551.db2.gz YJZNUYJSQIXELY-UHFFFAOYSA-N 0 0 307.401 3.071 20 10 DGCDRN CC[C@H](O)c1cn(Cc2ccc(N3CCCCC3)c(C)c2)nn1 ZINC000881383732 625358149 /nfs/dbraw/zinc/35/81/49/625358149.db2.gz XOEGIOMBWUAZAF-SFHVURJKSA-N 0 0 314.433 3.069 20 10 DGCDRN Cc1cc(NCc2ccc(N3CCCCC3)cc2)c(=O)n(C)c1 ZINC000902255782 619607615 /nfs/dbraw/zinc/60/76/15/619607615.db2.gz MSMXLYRESJCDMZ-UHFFFAOYSA-N 0 0 311.429 3.296 20 10 DGCDRN Cc1cc(O)c(CNc2nnn(C)c2C(F)F)c(Cl)c1 ZINC000902710811 619664963 /nfs/dbraw/zinc/66/49/63/619664963.db2.gz UFHMFHDKJCSCKU-UHFFFAOYSA-N 0 0 302.712 3.032 20 10 DGCDRN CCN(CC)c1ccc(CNc2nnn(C)c2C(F)F)cc1 ZINC000902714620 619665225 /nfs/dbraw/zinc/66/52/25/619665225.db2.gz PKGSJXQBVBQKLE-UHFFFAOYSA-N 0 0 309.364 3.211 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)NCC2CSC2)cc1 ZINC000923814478 619665235 /nfs/dbraw/zinc/66/52/35/619665235.db2.gz FLGOZJZNNDDKCF-UHFFFAOYSA-N 0 0 321.490 3.037 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](c1nncn1C)C(C)C)c1ccc(F)cc1[O-] ZINC000903063017 619708499 /nfs/dbraw/zinc/70/84/99/619708499.db2.gz AXTIGQCOPZPVFJ-UKRRQHHQSA-N 0 0 306.385 3.098 20 10 DGCDRN Cn1cnc(/C=C/C(=O)N2CCCc3cccc(Cl)c32)c1 ZINC000903051931 619711115 /nfs/dbraw/zinc/71/11/15/619711115.db2.gz CDQLWFFEBSGQMM-BQYQJAHWSA-N 0 0 301.777 3.066 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1)c1ccc(F)cc1[O-] ZINC000903179566 619731368 /nfs/dbraw/zinc/73/13/68/619731368.db2.gz QRKWEUKMYXKFHD-GMOODISLSA-N 0 0 307.287 3.292 20 10 DGCDRN C[C@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1c([O-])cccc1F ZINC000903240622 619742860 /nfs/dbraw/zinc/74/28/60/619742860.db2.gz VUSXYZULLFTVIW-LBPRGKRZSA-N 0 0 303.381 3.379 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CCCN2CCSC[C@@H]12)c1ccc(F)cc1[O-] ZINC000903271662 619750192 /nfs/dbraw/zinc/75/01/92/619750192.db2.gz JZSGKFFHLVYRCR-XHSDSOJGSA-N 0 0 324.465 3.152 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H]1CCN1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000903318792 619755056 /nfs/dbraw/zinc/75/50/56/619755056.db2.gz SYOVOOOZQGTZJS-GXFFZTMASA-N 0 0 303.233 3.444 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)c2cncs2)c1 ZINC000903309340 619756966 /nfs/dbraw/zinc/75/69/66/619756966.db2.gz DOXQEMSNBDQEGX-VHSXEESVSA-N 0 0 306.387 3.047 20 10 DGCDRN C[C@H]([NH2+]C[C@@](C)(O)c1cccc(F)c1)c1c([O-])cccc1F ZINC000903310561 619757506 /nfs/dbraw/zinc/75/75/06/619757506.db2.gz ZJHORLBYZAUXGK-APPDUMDISA-N 0 0 307.340 3.229 20 10 DGCDRN C[C@@H](NCc1cc(C(F)(F)F)n(C)n1)c1c(O)cccc1F ZINC000903336438 619759841 /nfs/dbraw/zinc/75/98/41/619759841.db2.gz NZLHIJNLOGSORX-MRVPVSSYSA-N 0 0 317.286 3.134 20 10 DGCDRN CC[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1ccc(F)cc1[O-] ZINC000903440798 619775763 /nfs/dbraw/zinc/77/57/63/619775763.db2.gz UGKMKYOJKXGZFQ-JFIYKMOQSA-N 0 0 301.361 3.230 20 10 DGCDRN Cc1cc([C@H](C)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)no1 ZINC000903449641 619778536 /nfs/dbraw/zinc/77/85/36/619778536.db2.gz YYANMBCZEXWNKR-KBXCAEBGSA-N 0 0 316.449 3.003 20 10 DGCDRN Cc1nc(C(C)C)ncc1-c1nc(Cc2ccc(N)cc2)no1 ZINC000904077126 619871314 /nfs/dbraw/zinc/87/13/14/619871314.db2.gz PQLKGMUBXVVRAV-UHFFFAOYSA-N 0 0 309.373 3.131 20 10 DGCDRN CCn1ncc(-c2nc(Cc3ccc(N)cc3)no2)c1C1CC1 ZINC000904076495 619871450 /nfs/dbraw/zinc/87/14/50/619871450.db2.gz CGFLYOOIEZQCRT-UHFFFAOYSA-N 0 0 309.373 3.003 20 10 DGCDRN Cn1cnc(/C=C\C(=O)N2CCCSc3ccc(F)cc32)c1 ZINC000904809664 619950727 /nfs/dbraw/zinc/95/07/27/619950727.db2.gz WKLHRVJQXGDOHK-XQRVVYSFSA-N 0 0 317.389 3.101 20 10 DGCDRN CCOc1ccccc1NC[C@H](O)CC[C@@H](O)c1ccccc1 ZINC000905296120 619984357 /nfs/dbraw/zinc/98/43/57/619984357.db2.gz YKWWKOKUIYKWAA-SJLPKXTDSA-N 0 0 315.413 3.372 20 10 DGCDRN O[C@@H](CNc1ccccc1OCC1CC1)CC1(O)CCCCC1 ZINC000905325379 619987451 /nfs/dbraw/zinc/98/74/51/619987451.db2.gz QCGWEHHFLDTIER-MRXNPFEDSA-N 0 0 319.445 3.334 20 10 DGCDRN CCCCN(C(=O)/C=C/c1cn(C)cn1)c1ccc(Cl)nc1 ZINC000906108017 620058432 /nfs/dbraw/zinc/05/84/32/620058432.db2.gz HPGPUJMKXTZQMY-VMPITWQZSA-N 0 0 318.808 3.315 20 10 DGCDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1cn(C2CC2)nn1 ZINC000906278195 620079739 /nfs/dbraw/zinc/07/97/39/620079739.db2.gz SNNYOMRURVBBGT-UHFFFAOYSA-N 0 0 320.343 3.167 20 10 DGCDRN CC[C@@H]1CCC[C@@]1(C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000907276181 620146495 /nfs/dbraw/zinc/14/64/95/620146495.db2.gz ZTBKCDCYMNZBFK-WPKBUWHJSA-N 0 0 305.418 3.361 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC=CCCC1 ZINC000907274076 620146619 /nfs/dbraw/zinc/14/66/19/620146619.db2.gz OJTGVWDHGHFUKW-ZFWWWQNUSA-N 0 0 303.402 3.282 20 10 DGCDRN CCc1csc([C@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)n1 ZINC000910729127 620307277 /nfs/dbraw/zinc/30/72/77/620307277.db2.gz IZUJXDMLGOHQKW-STUBTGCMSA-N 0 0 318.398 3.007 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)C1(c2ccccc2)CCCC1 ZINC000910952193 620318466 /nfs/dbraw/zinc/31/84/66/620318466.db2.gz SCYGPDXINMVCQY-UHFFFAOYSA-N 0 0 311.381 3.226 20 10 DGCDRN C[C@]1(C(=O)NCc2ccc(O)cc2O)CCCc2ccccc21 ZINC000910954736 620318577 /nfs/dbraw/zinc/31/85/77/620318577.db2.gz MJKMUHNKKBKSFF-IBGZPJMESA-N 0 0 311.381 3.008 20 10 DGCDRN COCCCOc1cccc(C(=O)Nc2ccc(N)cc2)c1C ZINC000911660244 620339433 /nfs/dbraw/zinc/33/94/33/620339433.db2.gz INUBUSAWBOBTNI-UHFFFAOYSA-N 0 0 314.385 3.245 20 10 DGCDRN Cc1cccnc1[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000911762181 620345022 /nfs/dbraw/zinc/34/50/22/620345022.db2.gz WTDCZUGZMACURX-AWEZNQCLSA-N 0 0 312.417 3.016 20 10 DGCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CCF)cc1 ZINC000912111795 620366116 /nfs/dbraw/zinc/36/61/16/620366116.db2.gz ZEQPMFBOMOCIFP-UHFFFAOYSA-N 0 0 306.303 3.003 20 10 DGCDRN CCOc1ccc(N(C)Cc2nc([C@@H](C)OCC)no2)cc1 ZINC000150733408 620388167 /nfs/dbraw/zinc/38/81/67/620388167.db2.gz KJQDSWRFCUOJAV-GFCCVEGCSA-N 0 0 305.378 3.202 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)CC(F)(F)F)cc1 ZINC000912905596 620413803 /nfs/dbraw/zinc/41/38/03/620413803.db2.gz WUKLJFAQXJZGAD-UHFFFAOYSA-N 0 0 302.340 3.444 20 10 DGCDRN Cc1cc(C(=O)N2CCn3ccnc32)c(C)n1-c1ccccc1C ZINC000913672896 620470195 /nfs/dbraw/zinc/47/01/95/620470195.db2.gz IZBALHAWFQSJGH-UHFFFAOYSA-N 0 0 320.396 3.259 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)O[C@@H]1CCOC1 ZINC000913868846 620488310 /nfs/dbraw/zinc/48/83/10/620488310.db2.gz WGVIADHIRFQILY-QGZVFWFLSA-N 0 0 318.417 3.034 20 10 DGCDRN Cc1ccc(C=C2SC(=S)NC2=O)c(Br)c1 ZINC000152131103 620493923 /nfs/dbraw/zinc/49/39/23/620493923.db2.gz VXIPVZGQISAEOG-WEVVVXLNSA-N 0 0 314.229 3.246 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(C)nc2C)c1 ZINC000152416870 620505743 /nfs/dbraw/zinc/50/57/43/620505743.db2.gz AIRZYBNGAYDONR-LLVKDONJSA-N 0 0 315.373 3.295 20 10 DGCDRN CSC[C@H]1CCCN1C(=O)NCc1ccc(N(C)C)cc1C ZINC000152515273 620511041 /nfs/dbraw/zinc/51/10/41/620511041.db2.gz HTBWSJJSYJCWNP-MRXNPFEDSA-N 0 0 321.490 3.098 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(F)c(F)c1 ZINC000152981977 620530406 /nfs/dbraw/zinc/53/04/06/620530406.db2.gz ANTOGGKWPOUONV-SECBINFHSA-N 0 0 322.311 3.129 20 10 DGCDRN C[C@@H]1Cc2ccccc2N1C(=O)NCc1ccc(N(C)C)cc1 ZINC000914689132 620548582 /nfs/dbraw/zinc/54/85/82/620548582.db2.gz CTFMQHZLCZAUTA-CQSZACIVSA-N 0 0 309.413 3.413 20 10 DGCDRN c1cc(N(C[C@H]2CCCO2)C[C@@H]2CCCO2)cc2c1CCC2 ZINC000914867436 620558492 /nfs/dbraw/zinc/55/84/92/620558492.db2.gz WFIYHTZKNGWMOT-KDURUIRLSA-N 0 0 301.430 3.340 20 10 DGCDRN Cc1cc(COC(=O)c2cc(C)n(-c3ccccn3)c2C)no1 ZINC000914906668 620560345 /nfs/dbraw/zinc/56/03/45/620560345.db2.gz PSXMWIGSMOBHKD-UHFFFAOYSA-N 0 0 311.341 3.143 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H](C)C[C@@H](C)O ZINC000153858484 620618262 /nfs/dbraw/zinc/61/82/62/620618262.db2.gz HRJYCMFQSBNPMT-BXUZGUMPSA-N 0 0 320.458 3.292 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)/C=C/c2cccs2)c1 ZINC000153903617 620621785 /nfs/dbraw/zinc/62/17/85/620621785.db2.gz NDLFVEXVCGNJMH-IOCXFXADSA-N 0 0 303.383 3.353 20 10 DGCDRN CCN(Cc1nnsc1Cl)c1ccc(OC)c(OC)c1 ZINC000921062347 620835889 /nfs/dbraw/zinc/83/58/89/620835889.db2.gz XEVKGORVDHFTJP-UHFFFAOYSA-N 0 0 313.810 3.235 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC12COC2 ZINC000854837535 620845128 /nfs/dbraw/zinc/84/51/28/620845128.db2.gz KIRNILPZSRVTHS-UHFFFAOYSA-N 0 0 310.397 3.017 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1CC2(CC2)C1 ZINC000854948139 620856779 /nfs/dbraw/zinc/85/67/79/620856779.db2.gz LIOSXSUQXFVKQT-AWEZNQCLSA-N 0 0 300.446 3.298 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1CC2(CC2)C1 ZINC000854948140 620856790 /nfs/dbraw/zinc/85/67/90/620856790.db2.gz LIOSXSUQXFVKQT-CQSZACIVSA-N 0 0 300.446 3.298 20 10 DGCDRN CC(C)(/C=C/Cl)NC(=O)NCCCSc1nccs1 ZINC000921447729 620857652 /nfs/dbraw/zinc/85/76/52/620857652.db2.gz QYHVJOLHHZPPOZ-SNAWJCMRSA-N 0 0 319.883 3.456 20 10 DGCDRN C[C@@H]1CCCC[C@H]1OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000112856711 620859034 /nfs/dbraw/zinc/85/90/34/620859034.db2.gz VTFZSQHCSJCSCQ-CRAIPNDOSA-N 0 0 318.461 3.306 20 10 DGCDRN O=C(CCCc1cccnc1)NCc1cc(Cl)ccc1O ZINC000855022794 620863406 /nfs/dbraw/zinc/86/34/06/620863406.db2.gz JMUSBEMVJFJMGU-UHFFFAOYSA-N 0 0 304.777 3.080 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)C(C)(C)CC(C)C)C2)cc1 ZINC000855233586 620882246 /nfs/dbraw/zinc/88/22/46/620882246.db2.gz ISOAINOBHFBENO-HNNXBMFYSA-N 0 0 318.461 3.462 20 10 DGCDRN CCC(CC)[C@@H](C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855233534 620882299 /nfs/dbraw/zinc/88/22/99/620882299.db2.gz IFBSXNPLTQTJNP-GDBMZVCRSA-N 0 0 318.461 3.462 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)C(C)(C)C(C)C)C2)cc1 ZINC000855228220 620882444 /nfs/dbraw/zinc/88/24/44/620882444.db2.gz XTQAQEAIGPYPMP-CQSZACIVSA-N 0 0 304.434 3.072 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)C3CCCCCC3)C2)cc1 ZINC000855229361 620882489 /nfs/dbraw/zinc/88/24/89/620882489.db2.gz JHVDJTVVCFTIIV-INIZCTEOSA-N 0 0 316.445 3.361 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)C[C@@H]3CC[C@@H](C)C3)C2)cc1 ZINC000855233997 620882962 /nfs/dbraw/zinc/88/29/62/620882962.db2.gz QKBXQBKMPHHQGH-OAGGEKHMSA-N 0 0 316.445 3.216 20 10 DGCDRN C[C@H]([NH2+][C@H]1CC12CC2)c1cc(Br)c(F)cc1[O-] ZINC000818357167 620899926 /nfs/dbraw/zinc/89/99/26/620899926.db2.gz VUVFASOGPJOLQD-MADCSZMMSA-N 0 0 300.171 3.497 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CC2(CCCC2)[C@H]1c1ccco1 ZINC000855487966 620907431 /nfs/dbraw/zinc/90/74/31/620907431.db2.gz BURWXOXNUYRPQX-MRXNPFEDSA-N 0 0 313.353 3.448 20 10 DGCDRN C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C1CCC(F)CC1 ZINC000856080567 620959172 /nfs/dbraw/zinc/95/91/72/620959172.db2.gz LBJSCIAIDSSKCH-BQVJRQDLSA-N 0 0 307.365 3.144 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1CCCO1)c1cc(Br)c(F)cc1[O-] ZINC000756354391 620959934 /nfs/dbraw/zinc/95/99/34/620959934.db2.gz AAWFCEJQEUXFDM-RKDXNWHRSA-N 0 0 318.186 3.123 20 10 DGCDRN CCC/C(C)=C/C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856210465 620972579 /nfs/dbraw/zinc/97/25/79/620972579.db2.gz CTNODJCTXWEYTN-FYWRMAATSA-N 0 0 316.445 3.010 20 10 DGCDRN O=C(NCc1c(O)cccc1F)N[C@@H]1CCCc2sccc21 ZINC000922014052 620980541 /nfs/dbraw/zinc/98/05/41/620980541.db2.gz FIMZFUZRRVGEIK-CYBMUJFWSA-N 0 0 320.389 3.470 20 10 DGCDRN CN(C[C@H]1CCc2ccccc21)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000856305104 620982927 /nfs/dbraw/zinc/98/29/27/620982927.db2.gz LYIOFAALTGBUAG-AYAUWGRQSA-N 0 0 323.392 3.299 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CC2(CCC2)[C@H]1c1ccncc1 ZINC000856495831 620999865 /nfs/dbraw/zinc/99/98/65/620999865.db2.gz STJIVKRUXXMFKE-CQSZACIVSA-N 0 0 300.383 3.216 20 10 DGCDRN Cn1cc(Cl)cc1C(=O)NCCCSc1nccs1 ZINC000114375190 621003269 /nfs/dbraw/zinc/00/32/69/621003269.db2.gz LKNSHKIIBUSCCE-UHFFFAOYSA-N 0 0 315.851 3.047 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2ccc3[nH]ccc3c2)c1 ZINC000114575950 621016135 /nfs/dbraw/zinc/01/61/35/621016135.db2.gz HVWBIOYLQZHTBO-UHFFFAOYSA-N 0 0 311.341 3.204 20 10 DGCDRN O=C(NCCCSc1nccs1)N1CC(CC2CC2)C1 ZINC000856877934 621030451 /nfs/dbraw/zinc/03/04/51/621030451.db2.gz IYDIKIUXCYZVAP-UHFFFAOYSA-N 0 0 311.476 3.067 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCC[C@@H]1CC1(Cl)Cl ZINC000856948571 621037950 /nfs/dbraw/zinc/03/79/50/621037950.db2.gz RJXMPLIWBAKCNN-LLVKDONJSA-N 0 0 317.216 3.118 20 10 DGCDRN Cc1nccnc1CN1CCCc2cc(OC(F)F)ccc21 ZINC000857039023 621049371 /nfs/dbraw/zinc/04/93/71/621049371.db2.gz KSYYCTBDWPZZHZ-UHFFFAOYSA-N 0 0 305.328 3.339 20 10 DGCDRN CN(C)c1ccc(/C=C/CN[C@@H](c2ncccn2)C2CC2)cc1 ZINC000922577267 621060069 /nfs/dbraw/zinc/06/00/69/621060069.db2.gz PNVZGCDMGIQABJ-YWPBOTNQSA-N 0 0 308.429 3.297 20 10 DGCDRN Cc1ncc(/C=C/C(=O)NCc2ccc(N(C)C)cc2C)s1 ZINC000115280112 621093111 /nfs/dbraw/zinc/09/31/11/621093111.db2.gz RASUHKRWGFZBKX-BQYQJAHWSA-N 0 0 315.442 3.156 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1c(F)cccc1F ZINC000115282228 621094380 /nfs/dbraw/zinc/09/43/80/621094380.db2.gz DUMKBPHCAZDKNY-UHFFFAOYSA-N 0 0 304.340 3.269 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(F)c1F ZINC000115280561 621094596 /nfs/dbraw/zinc/09/45/96/621094596.db2.gz AFPFPNKJZHQPGY-UHFFFAOYSA-N 0 0 304.340 3.269 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(F)cc1F ZINC000115281106 621094663 /nfs/dbraw/zinc/09/46/63/621094663.db2.gz LSZRREVZGBAFBA-UHFFFAOYSA-N 0 0 304.340 3.269 20 10 DGCDRN Cc1ccccc1NCCC(=O)NCc1cc(Cl)ccc1O ZINC000857547749 621095142 /nfs/dbraw/zinc/09/51/42/621095142.db2.gz RXOHKSSBOAGAQZ-UHFFFAOYSA-N 0 0 318.804 3.472 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1cccnc1Cl ZINC000115640495 621120946 /nfs/dbraw/zinc/12/09/46/621120946.db2.gz UTGAAADCOOZOHM-UHFFFAOYSA-N 0 0 318.808 3.431 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000115710048 621128701 /nfs/dbraw/zinc/12/87/01/621128701.db2.gz NIYIZAQYULBRPB-UHFFFAOYSA-N 0 0 312.344 3.214 20 10 DGCDRN Cc1cc(O)c(CNCc2cc(C3CC3)n(C)n2)c(Cl)c1 ZINC000922953243 621135122 /nfs/dbraw/zinc/13/51/22/621135122.db2.gz PIGOFFSJCSGNHM-UHFFFAOYSA-N 0 0 305.809 3.255 20 10 DGCDRN CCOc1ccc(C[NH2+]C[C@H]2CC(C)(C)OC2(C)C)c(O)c1 ZINC000922951454 621136576 /nfs/dbraw/zinc/13/65/76/621136576.db2.gz OIFNSUFRMQRTOE-CQSZACIVSA-N 0 0 307.434 3.474 20 10 DGCDRN CN(C)c1ccc(/C=C/C[NH2+]Cc2cc(C3CC3)n(C)n2)cc1 ZINC000922953711 621136938 /nfs/dbraw/zinc/13/69/38/621136938.db2.gz SARYBCIJEWAACJ-SNAWJCMRSA-N 0 0 310.445 3.167 20 10 DGCDRN CCCN(CC1CC1)C(=O)NCc1ccc(N(C)C)cc1C ZINC000115853925 621152387 /nfs/dbraw/zinc/15/23/87/621152387.db2.gz JKZRWMUIDVOFJE-UHFFFAOYSA-N 0 0 303.450 3.393 20 10 DGCDRN CN(C)c1cc(F)c(CNCc2ccc(Cl)nc2)cc1F ZINC000858100952 621152909 /nfs/dbraw/zinc/15/29/09/621152909.db2.gz UFSBYEJZHWPPPQ-UHFFFAOYSA-N 0 0 311.763 3.369 20 10 DGCDRN COC[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1ccc(C)o1 ZINC000858148443 621158925 /nfs/dbraw/zinc/15/89/25/621158925.db2.gz XFVYPHUNBBBEFJ-OAHLLOKOSA-N 0 0 324.371 3.410 20 10 DGCDRN COC[C@H](NCc1cc(F)c(N(C)C)cc1F)c1ccc(C)o1 ZINC000858148442 621158961 /nfs/dbraw/zinc/15/89/61/621158961.db2.gz XFVYPHUNBBBEFJ-HNNXBMFYSA-N 0 0 324.371 3.410 20 10 DGCDRN Cc1ccc(O)c(CNCc2cnn(-c3cc(C)cc(C)c3)n2)c1 ZINC000858239910 621167024 /nfs/dbraw/zinc/16/70/24/621167024.db2.gz WJTPGIBZDLIMOP-UHFFFAOYSA-N 0 0 322.412 3.188 20 10 DGCDRN CCC(F)(F)CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000858507986 621200323 /nfs/dbraw/zinc/20/03/23/621200323.db2.gz LJDRWYNASYBEJQ-GFCCVEGCSA-N 0 0 316.367 3.358 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC2(C3(C)CC3)CC2)cc1F ZINC000838029409 621203165 /nfs/dbraw/zinc/20/31/65/621203165.db2.gz MJKLXCXIGFSCOI-UHFFFAOYSA-N 0 0 305.397 3.024 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)c2ccns2)c1 ZINC000858577052 621206203 /nfs/dbraw/zinc/20/62/03/621206203.db2.gz OIRPFNXGDPJSKS-UWVGGRQHSA-N 0 0 306.387 3.047 20 10 DGCDRN CSCC1(CCNC(=O)NCc2cc(C)ccc2O)CC1 ZINC000858606942 621209366 /nfs/dbraw/zinc/20/93/66/621209366.db2.gz QTNCTPCFEVTOSE-UHFFFAOYSA-N 0 0 308.447 3.033 20 10 DGCDRN C[C@@H]1[C@@H](C)CN1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000838375186 621239490 /nfs/dbraw/zinc/23/94/90/621239490.db2.gz DBEQUIONOBDHIP-JKSUJKDBSA-N 0 0 315.461 3.473 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C)[C@@H]2C)cc1F ZINC000838392316 621244591 /nfs/dbraw/zinc/24/45/91/621244591.db2.gz SWFFVXYYKUMDHJ-OLZOCXBDSA-N 0 0 307.413 3.222 20 10 DGCDRN CC[C@@H]1CCC[C@@H]1CNC(=O)NCc1cccc(OC)c1O ZINC000838648309 621269026 /nfs/dbraw/zinc/26/90/26/621269026.db2.gz HFUXKVLRGXDRMV-CHWSQXEVSA-N 0 0 306.406 3.026 20 10 DGCDRN C[C@@H]1C[C@@H]1COC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000859633302 621301978 /nfs/dbraw/zinc/30/19/78/621301978.db2.gz XNCRRLPULXGBIA-ZYHUDNBSSA-N 0 0 302.399 3.129 20 10 DGCDRN CCOc1cc(C[NH2+]Cc2ccc(N(C)C)cc2C)ccc1O ZINC000838948125 621302154 /nfs/dbraw/zinc/30/21/54/621302154.db2.gz DCKGWQIISGPSTJ-UHFFFAOYSA-N 0 0 314.429 3.455 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CC2(C1)CCOCC2 ZINC000839141490 621340300 /nfs/dbraw/zinc/34/03/00/621340300.db2.gz QSDPXHGTRHMANO-UHFFFAOYSA-N 0 0 302.201 3.311 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C1(CO)CCSCC1 ZINC000839173851 621342525 /nfs/dbraw/zinc/34/25/25/621342525.db2.gz ADJABSSYPQROTN-UHFFFAOYSA-N 0 0 322.257 3.047 20 10 DGCDRN CO[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(C(C)=O)c2[O-])C12CCC2 ZINC000839189652 621346248 /nfs/dbraw/zinc/34/62/48/621346248.db2.gz BHAKAHVSWZGGGG-CABCVRRESA-N 0 0 323.820 3.295 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H](C)c2ccn(C)n2)c1 ZINC000839193160 621347478 /nfs/dbraw/zinc/34/74/78/621347478.db2.gz ZCYLQKBDLPWABS-JTQLQIEISA-N 0 0 324.222 3.047 20 10 DGCDRN COc1ccnc(CN[C@@H](C)c2ccc(N(C)C)cc2)c1OC ZINC000789385704 625482147 /nfs/dbraw/zinc/48/21/47/625482147.db2.gz DYYHUESWYXVMAD-ZDUSSCGKSA-N 0 0 315.417 3.016 20 10 DGCDRN CCc1cccc2c1N(C(=O)/C=C(\C)c1cnccn1)CCC2 ZINC000839277332 621354080 /nfs/dbraw/zinc/35/40/80/621354080.db2.gz DQHOJGYGQBTXSG-WYMLVPIESA-N 0 0 307.397 3.422 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@H]2C[C@@]2(F)c2ccccc2)cc1 ZINC000839469547 621379100 /nfs/dbraw/zinc/37/91/00/621379100.db2.gz LEHUDWXZPWXQJF-IEBWSBKVSA-N 0 0 312.388 3.254 20 10 DGCDRN CCC[C@H](C)NC(=O)NCc1cc(Br)ccc1O ZINC000804871622 621384943 /nfs/dbraw/zinc/38/49/43/621384943.db2.gz OTPNIOJRZDIUDF-VIFPVBQESA-N 0 0 315.211 3.143 20 10 DGCDRN O=C(CC(C1CCC1)C1CCC1)NCc1ccc(O)c(O)c1 ZINC000860243603 621385864 /nfs/dbraw/zinc/38/58/64/621385864.db2.gz RHGIMCYKOXPOFA-UHFFFAOYSA-N 0 0 303.402 3.321 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H](C)C(F)(F)F)c1 ZINC000860242085 621385881 /nfs/dbraw/zinc/38/58/81/621385881.db2.gz OWMLQHKWIVYRCB-RKDXNWHRSA-N 0 0 305.296 3.167 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2cnc(C(C)(C)C)nc2)c1 ZINC000860529344 621415228 /nfs/dbraw/zinc/41/52/28/621415228.db2.gz DVNIDXYKBNPEEC-UHFFFAOYSA-N 0 0 314.389 3.110 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CCCCS2)c1 ZINC000753261448 621434374 /nfs/dbraw/zinc/43/43/74/621434374.db2.gz IBWKYHDKWUPEER-YPMHNXCESA-N 0 0 324.446 3.047 20 10 DGCDRN Cc1cc(NC(=O)C2=CC(=O)CS2)cnc1Br ZINC000753468878 621441695 /nfs/dbraw/zinc/44/16/95/621441695.db2.gz XTUBCSVRBCDYMJ-UHFFFAOYSA-N 0 0 313.176 3.172 20 10 DGCDRN Cn1cc(NCc2cc3c(cc2O)OCO3)c(-c2ccccc2)n1 ZINC000753567940 621449183 /nfs/dbraw/zinc/44/91/83/621449183.db2.gz KAMSLYZMBZGFLB-UHFFFAOYSA-N 0 0 323.352 3.134 20 10 DGCDRN COC(=O)COc1ccc(N(C)Cc2cc(F)ccc2C)cc1 ZINC000753592066 621452120 /nfs/dbraw/zinc/45/21/20/621452120.db2.gz QMNDWBNBEUBCQO-UHFFFAOYSA-N 0 0 317.360 3.322 20 10 DGCDRN COC(=O)COc1ccc(N(C)Cc2cc(F)cc(F)c2)cc1 ZINC000753592189 621452265 /nfs/dbraw/zinc/45/22/65/621452265.db2.gz RWQYIJXVNSXIMZ-UHFFFAOYSA-N 0 0 321.323 3.153 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000753596039 621452708 /nfs/dbraw/zinc/45/27/08/621452708.db2.gz QWLQTHZPHZUBAP-HNNXBMFYSA-N 0 0 323.795 3.268 20 10 DGCDRN COc1cc(N(C)CC[C@H]2CCCCO2)cc(OC)c1OC ZINC000754050023 621482605 /nfs/dbraw/zinc/48/26/05/621482605.db2.gz NHHPKPBFEGGRRT-CQSZACIVSA-N 0 0 309.406 3.108 20 10 DGCDRN Cc1ccc(/C=C/C(=O)N2CCc3cc(F)c(F)cc32)cn1 ZINC000754119856 621489321 /nfs/dbraw/zinc/48/93/21/621489321.db2.gz WONHROBFXDCUEX-SNAWJCMRSA-N 0 0 300.308 3.271 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC(C)(C)C1 ZINC000861406198 621512821 /nfs/dbraw/zinc/51/28/21/621512821.db2.gz ZNNDXCXYHNTCDT-UHFFFAOYSA-N 0 0 310.397 3.389 20 10 DGCDRN C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C1CC1 ZINC000754549446 621515927 /nfs/dbraw/zinc/51/59/27/621515927.db2.gz DACPOXFMTFJSRR-LLVKDONJSA-N 0 0 319.360 3.447 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)[C@H]2CCCOC2)c1[O-] ZINC000754566977 621517210 /nfs/dbraw/zinc/51/72/10/621517210.db2.gz NCWLZBDHPMJWMW-JQWIXIFHSA-N 0 0 311.809 3.153 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCOC(C)C)cc1 ZINC000754678946 621524036 /nfs/dbraw/zinc/52/40/36/621524036.db2.gz LUYMTLCGBOZKGO-UHFFFAOYSA-N 0 0 300.402 3.249 20 10 DGCDRN Cc1ccc(C)c(NC(=S)NCc2cccc(N(C)C)n2)c1 ZINC000754691163 621524808 /nfs/dbraw/zinc/52/48/08/621524808.db2.gz GZUCCUHUSCQCEU-UHFFFAOYSA-N 0 0 314.458 3.251 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(F)cc1Cl ZINC000755013945 621546660 /nfs/dbraw/zinc/54/66/60/621546660.db2.gz SRSZIGAFRRLITI-UHFFFAOYSA-N 0 0 324.739 3.255 20 10 DGCDRN CCC1CN(C(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)C1 ZINC000861944102 621547420 /nfs/dbraw/zinc/54/74/20/621547420.db2.gz NDXNEGFMZCUABU-UHFFFAOYSA-N 0 0 310.397 3.389 20 10 DGCDRN Cc1oc(C2CC2)nc1C(=O)NCc1ccc2cccnc2c1O ZINC000862026201 621551082 /nfs/dbraw/zinc/55/10/82/621551082.db2.gz ILGHELGZMGATNL-UHFFFAOYSA-N 0 0 323.352 3.044 20 10 DGCDRN CCCCS[C@H](C)C(=O)NCc1ccc2cccnc2c1O ZINC000862027842 621551186 /nfs/dbraw/zinc/55/11/86/621551186.db2.gz HRBVCBPCCIJYAJ-GFCCVEGCSA-N 0 0 318.442 3.478 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)[C@@H]1C[C@@H]1C1CCCC1 ZINC000862025504 621551270 /nfs/dbraw/zinc/55/12/70/621551270.db2.gz WPPJYPAZTWDEGQ-HZPDHXFCSA-N 0 0 310.397 3.383 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000862130040 621556971 /nfs/dbraw/zinc/55/69/71/621556971.db2.gz ACQFUJGVOCNPCN-HYVNUMGLSA-N 0 0 313.784 3.248 20 10 DGCDRN CN(C)c1cc(F)c(C[N@H+](C[C@H]2CCOC2)C2CC2)cc1F ZINC000862218377 621562808 /nfs/dbraw/zinc/56/28/08/621562808.db2.gz KSLXAHPMUYCUIE-GFCCVEGCSA-N 0 0 310.388 3.032 20 10 DGCDRN Cc1cc(O)ccc1NS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000755412916 621571778 /nfs/dbraw/zinc/57/17/78/621571778.db2.gz QDAQJWAOEGHSSQ-UHFFFAOYSA-N 0 0 315.753 3.294 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@]2(C)CCCO2)cc1 ZINC000755440198 621573381 /nfs/dbraw/zinc/57/33/81/621573381.db2.gz LIEWVOPBXMBKOT-LJQANCHMSA-N 0 0 312.413 3.393 20 10 DGCDRN C[C@H]1CN(Cc2cc(F)c(N(C)C)cc2F)C[C@@H](C2CC2)O1 ZINC000862352110 621576944 /nfs/dbraw/zinc/57/69/44/621576944.db2.gz ZFGVUZYHTNJTKQ-GTNSWQLSSA-N 0 0 310.388 3.030 20 10 DGCDRN CN(C)c1cc(F)c(CN2CCC(c3ccon3)CC2)cc1F ZINC000862419962 621587970 /nfs/dbraw/zinc/58/79/70/621587970.db2.gz VIBNLVNIPNFMMR-UHFFFAOYSA-N 0 0 321.371 3.398 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCS[C@@H](C)CC1 ZINC000755719546 621588109 /nfs/dbraw/zinc/58/81/09/621588109.db2.gz JOXKVZAESODNGX-AWEZNQCLSA-N 0 0 321.490 3.098 20 10 DGCDRN COc1c([O-])c(C[NH2+]CC[C@H]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000862498473 621596078 /nfs/dbraw/zinc/59/60/78/621596078.db2.gz JSEJCYSKXUATLI-LBPRGKRZSA-N 0 0 306.362 3.145 20 10 DGCDRN COCCOCc1ccc(NCc2cc(F)ccc2O)cc1 ZINC000862531250 621597298 /nfs/dbraw/zinc/59/72/98/621597298.db2.gz FDEGTUSXZBXEOV-UHFFFAOYSA-N 0 0 305.349 3.306 20 10 DGCDRN COc1ccc(N2CCN(C(=O)[C@H](C)c3ccccc3)CC2)cc1 ZINC000119036333 621608756 /nfs/dbraw/zinc/60/87/56/621608756.db2.gz NLBSNEQBTWFWMX-MRXNPFEDSA-N 0 0 324.424 3.148 20 10 DGCDRN C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C1CCC1 ZINC000756055741 621612587 /nfs/dbraw/zinc/61/25/87/621612587.db2.gz HZBWGTNYJJUUEF-AWEZNQCLSA-N 0 0 301.434 3.275 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H](C)OCc2ccccc2C)c1 ZINC000862754503 621613710 /nfs/dbraw/zinc/61/37/10/621613710.db2.gz ZRMYWQPTUBJTBZ-OAHLLOKOSA-N 0 0 313.397 3.231 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@H](C)OCc2ccccc2C)c1 ZINC000862754502 621613828 /nfs/dbraw/zinc/61/38/28/621613828.db2.gz ZRMYWQPTUBJTBZ-HNNXBMFYSA-N 0 0 313.397 3.231 20 10 DGCDRN COc1ccc(C[C@H](C)C(=O)NCc2cc(C)ccc2O)cc1 ZINC000862757989 621614289 /nfs/dbraw/zinc/61/42/89/621614289.db2.gz LDZLVXGXSVOLTN-AWEZNQCLSA-N 0 0 313.397 3.204 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Cc2csc(C(C)(C)C)n2)c1 ZINC000862758831 621614298 /nfs/dbraw/zinc/61/42/98/621614298.db2.gz NAEWAKOPKJRZPT-UHFFFAOYSA-N 0 0 318.442 3.314 20 10 DGCDRN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCc1cc(C)ccc1O ZINC000862757901 621614339 /nfs/dbraw/zinc/61/43/39/621614339.db2.gz HYYBTKMAPULPMO-KGLIPLIRSA-N 0 0 301.411 3.490 20 10 DGCDRN CC[C@@H](Oc1ccccc1F)C(=O)NCc1cc(C)ccc1O ZINC000862758152 621614359 /nfs/dbraw/zinc/61/43/59/621614359.db2.gz QJDQTNHPHOGREB-MRXNPFEDSA-N 0 0 317.360 3.314 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cccc([C@H]3CCOC3)c2)c1 ZINC000862757803 621614362 /nfs/dbraw/zinc/61/43/62/621614362.db2.gz DRKAJRGFONYBDX-INIZCTEOSA-N 0 0 311.381 3.135 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)C[C@H]2OCCc3ccccc32)c1 ZINC000862759590 621614394 /nfs/dbraw/zinc/61/43/94/621614394.db2.gz GVNFLVNDSUGILG-GOSISDBHSA-N 0 0 311.381 3.021 20 10 DGCDRN Cc1ccc(OCCCC(=O)NCc2cc(C)ccc2O)cc1 ZINC000862761778 621614707 /nfs/dbraw/zinc/61/47/07/621614707.db2.gz XMHGVWSANASEDH-UHFFFAOYSA-N 0 0 313.397 3.484 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@]23CCc2ccccc23)c1 ZINC000862760527 621614763 /nfs/dbraw/zinc/61/47/63/621614763.db2.gz UBVAPPAZRIZMTG-PXNSSMCTSA-N 0 0 307.393 3.221 20 10 DGCDRN CC[C@H]1CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000756135125 621617521 /nfs/dbraw/zinc/61/75/21/621617521.db2.gz VZVYLGJLGADULP-HWPRWLFBSA-N 0 0 304.346 3.017 20 10 DGCDRN CC(C)c1nnc(CNCc2ccc(N(C)C)c(F)c2)s1 ZINC000756139841 621617940 /nfs/dbraw/zinc/61/79/40/621617940.db2.gz NYBNUPLTMZRFNS-UHFFFAOYSA-N 0 0 308.426 3.156 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC2(C1)CCCO2 ZINC000862821550 621620428 /nfs/dbraw/zinc/62/04/28/621620428.db2.gz RXEZEORKVSBEJF-UHFFFAOYSA-N 0 0 316.426 3.161 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)N(C)C)c1ccc(F)cc1[O-] ZINC000756340346 621629115 /nfs/dbraw/zinc/62/91/15/621629115.db2.gz DWWUSEKJJQTFQI-RHSMWYFYSA-N 0 0 316.420 3.355 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCc2ccccc2C)c1 ZINC000756356455 621630461 /nfs/dbraw/zinc/63/04/61/621630461.db2.gz DFMAVKCYKDYMQA-CQSZACIVSA-N 0 0 313.397 3.381 20 10 DGCDRN C[C@@H]([NH2+]CCc1ccccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756357906 621631084 /nfs/dbraw/zinc/63/10/84/621631084.db2.gz QZAXJZJFPRRFOA-LLVKDONJSA-N 0 0 304.321 3.333 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1cc(F)cc(F)c1[O-] ZINC000756402726 621635663 /nfs/dbraw/zinc/63/56/63/621635663.db2.gz OFJXHUCIQTWUCA-YMTOWFKASA-N 0 0 307.344 3.132 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CCCN(C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756442619 621639190 /nfs/dbraw/zinc/63/91/90/621639190.db2.gz FLHNXJKSNWTHJS-ZJUUUORDSA-N 0 0 303.233 3.444 20 10 DGCDRN COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756459493 621639894 /nfs/dbraw/zinc/63/98/94/621639894.db2.gz NWJIRRQZJCSGHS-BMIGLBTASA-N 0 0 323.339 3.063 20 10 DGCDRN C[C@H]([NH2+]C1CCN(C2CCC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756489242 621641500 /nfs/dbraw/zinc/64/15/00/621641500.db2.gz HKVODXIQUGIXAP-NSHDSACASA-N 0 0 310.388 3.338 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(F)cc2F)c1 ZINC000756494484 621641983 /nfs/dbraw/zinc/64/19/83/621641983.db2.gz FKSRZVJERYWICG-SNVBAGLBSA-N 0 0 321.323 3.308 20 10 DGCDRN COC/C=C\C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC000863161801 621643728 /nfs/dbraw/zinc/64/37/28/621643728.db2.gz KHGDGNLWQZOESM-TWGQIWQCSA-N 0 0 312.413 3.221 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCc2cccc(C)c2)c1 ZINC000756511212 621643898 /nfs/dbraw/zinc/64/38/98/621643898.db2.gz MIKBCDLZWTWLFC-AWEZNQCLSA-N 0 0 313.397 3.381 20 10 DGCDRN Cc1cc(CNC(=O)/C=C/[C@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000863163638 621644201 /nfs/dbraw/zinc/64/42/01/621644201.db2.gz LCHHEVUSHABYTK-IJDCCNJMSA-N 0 0 324.424 3.303 20 10 DGCDRN CO[C@@H](C)CC[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756525388 621645100 /nfs/dbraw/zinc/64/51/00/621645100.db2.gz BMDMUQLHOXXHDF-DTWKUNHWSA-N 0 0 320.202 3.369 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)c2nc(C)cs2)c1 ZINC000756533759 621645842 /nfs/dbraw/zinc/64/58/42/621645842.db2.gz IBQFUOSITGUTAB-MNOVXSKESA-N 0 0 320.414 3.356 20 10 DGCDRN C[C@H]([NH2+]CCN1[C@@H](C)CCC[C@@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756555694 621647945 /nfs/dbraw/zinc/64/79/45/621647945.db2.gz UVHLGHRHYCDPEM-IHRRRGAJSA-N 0 0 321.421 3.214 20 10 DGCDRN COc1cccc([C@H](O)C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756563011 621649113 /nfs/dbraw/zinc/64/91/13/621649113.db2.gz KXGMJTGNTKLQFY-MGPLVRAMSA-N 0 0 323.339 3.063 20 10 DGCDRN C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cc(F)cc(F)c1[O-] ZINC000756608155 621652558 /nfs/dbraw/zinc/65/25/58/621652558.db2.gz JELYVQCUAZHLMC-SNVBAGLBSA-N 0 0 322.311 3.472 20 10 DGCDRN CC(C)C[C@H](CCO)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756624899 621653570 /nfs/dbraw/zinc/65/35/70/621653570.db2.gz HGOFDJFZZMWOQJ-NEPJUHHUSA-N 0 0 301.377 3.366 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-])C1CCOCC1 ZINC000756628513 621654125 /nfs/dbraw/zinc/65/41/25/621654125.db2.gz NKSOGWOSFKRRDD-LRDDRELGSA-N 0 0 321.417 3.035 20 10 DGCDRN C[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccncc1 ZINC000756633235 621654759 /nfs/dbraw/zinc/65/47/59/621654759.db2.gz GUYPLBAMPLLNGJ-NEPJUHHUSA-N 0 0 301.346 3.150 20 10 DGCDRN Cc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756638662 621655225 /nfs/dbraw/zinc/65/52/25/621655225.db2.gz VQOUDIIREAYHGU-MEDUHNTESA-N 0 0 307.340 3.363 20 10 DGCDRN C[C@@H](CCCO)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756647994 621655535 /nfs/dbraw/zinc/65/55/35/621655535.db2.gz VFWMNSJZZUZZMC-IUCAKERBSA-N 0 0 320.202 3.105 20 10 DGCDRN Cn1c(-c2ccccc2)cnc1SCCOC1CCOCC1 ZINC000863267578 621657238 /nfs/dbraw/zinc/65/72/38/621657238.db2.gz FGODVFLWRYJSCZ-UHFFFAOYSA-N 0 0 318.442 3.375 20 10 DGCDRN COc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(F)c1 ZINC000756756287 621662335 /nfs/dbraw/zinc/66/23/35/621662335.db2.gz HCVZXUODFLPNDI-SNVBAGLBSA-N 0 0 320.320 3.299 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCC(F)(F)C2)c1 ZINC000756764356 621662586 /nfs/dbraw/zinc/66/25/86/621662586.db2.gz HATXSAUPVMBEHE-ZYHUDNBSSA-N 0 0 313.344 3.407 20 10 DGCDRN CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756768194 621663436 /nfs/dbraw/zinc/66/34/36/621663436.db2.gz BCUUXFKPHZWBEZ-SNVBAGLBSA-N 0 0 323.387 3.380 20 10 DGCDRN CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756768191 621663562 /nfs/dbraw/zinc/66/35/62/621663562.db2.gz BCUUXFKPHZWBEZ-JTQLQIEISA-N 0 0 323.387 3.380 20 10 DGCDRN C[C@H](Nc1ccc2c(c1)NC(=O)CO2)c1cc(F)cc(F)c1O ZINC000756797143 621665300 /nfs/dbraw/zinc/66/53/00/621665300.db2.gz OQIQPYCFPKRBSW-QMMMGPOBSA-N 0 0 320.295 3.174 20 10 DGCDRN CC[C@@H]1CC[C@@H](C(=O)N(C)Cc2ccc(N(CC)CC)cc2)O1 ZINC000756906772 621672033 /nfs/dbraw/zinc/67/20/33/621672033.db2.gz ASJAYFGGDVLABB-MSOLQXFVSA-N 0 0 318.461 3.449 20 10 DGCDRN OCc1ccc(F)c(COc2ccc(N3CCCC3)cc2)c1 ZINC000863459728 621675245 /nfs/dbraw/zinc/67/52/45/621675245.db2.gz RKXCAOZHAVVHMS-UHFFFAOYSA-N 0 0 301.361 3.497 20 10 DGCDRN CCc1csc(NCc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000756958394 621675466 /nfs/dbraw/zinc/67/54/66/621675466.db2.gz AOYBERHLXMXSIF-UHFFFAOYSA-N 0 0 321.421 3.293 20 10 DGCDRN Cc1cc(C[N@H+]2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)ccc1N(C)C ZINC000863476394 621676603 /nfs/dbraw/zinc/67/66/03/621676603.db2.gz COEWTUNMBQDZDN-MIFYACCESA-N 0 0 304.434 3.135 20 10 DGCDRN CCc1ccc([C@H](C)NC(=O)CN(C)c2ccc(N)cc2)cc1 ZINC000863556672 621683049 /nfs/dbraw/zinc/68/30/49/621683049.db2.gz CEZWHXNKEOGEJR-AWEZNQCLSA-N 0 0 311.429 3.145 20 10 DGCDRN CC[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000863547724 621683225 /nfs/dbraw/zinc/68/32/25/621683225.db2.gz WQGGQLHOTVELIB-KPXOXKRLSA-N 0 0 303.233 3.490 20 10 DGCDRN Cc1ccc(N(CC2CC2)C(=O)/C=C\c2cnn(C)c2)cc1F ZINC000863598423 621686717 /nfs/dbraw/zinc/68/67/17/621686717.db2.gz SZKZVSBMYPCTMJ-VURMDHGXSA-N 0 0 313.376 3.324 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(Cl)nc2)c1 ZINC000103503203 621697264 /nfs/dbraw/zinc/69/72/64/621697264.db2.gz WWDMGMDXNQFIAV-VIFPVBQESA-N 0 0 321.764 3.332 20 10 DGCDRN O=C(C[C@H](c1ccc(O)cc1)C1CC1)NCc1ccccc1O ZINC000839612272 621703292 /nfs/dbraw/zinc/70/32/92/621703292.db2.gz OWCDCKLXLAKUKF-KRWDZBQOSA-N 0 0 311.381 3.298 20 10 DGCDRN CO[C@H]1C[C@@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000863773679 621707190 /nfs/dbraw/zinc/70/71/90/621707190.db2.gz FNFBRIVIMAPEIU-RHNCMZPLSA-N 0 0 312.413 3.249 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3ncccc3c2)c1 ZINC000103529117 621711758 /nfs/dbraw/zinc/71/17/58/621711758.db2.gz RAPRJDKYQIYJNF-GFCCVEGCSA-N 0 0 322.364 3.440 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000839682387 621711765 /nfs/dbraw/zinc/71/17/65/621711765.db2.gz DCMXAYCDQUQXJY-MOPGFXCFSA-N 0 0 308.425 3.481 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000839707138 621713233 /nfs/dbraw/zinc/71/32/33/621713233.db2.gz SUBUMQKTIIXNQU-PWSUYJOCSA-N 0 0 323.439 3.244 20 10 DGCDRN CC[C@@H](C(=O)NCc1cc(C)n(-c2ccccc2)c1C)[C@@H](C)O ZINC000863940952 621720097 /nfs/dbraw/zinc/72/00/97/621720097.db2.gz RFODZNXTXFGOQG-CRAIPNDOSA-N 0 0 314.429 3.117 20 10 DGCDRN O=C(N[C@@H]1CCO[C@@H](c2cccs2)C1)C1=CC(=O)CS1 ZINC000839787878 621724670 /nfs/dbraw/zinc/72/46/70/621724670.db2.gz UMWWECWXPZPFSE-MWLCHTKSSA-N 0 0 309.412 3.165 20 10 DGCDRN CC(=O)NCc1ccc(N[C@H](C)c2cc(F)cc(F)c2O)cc1 ZINC000757605188 621727699 /nfs/dbraw/zinc/72/76/99/621727699.db2.gz UNIMBVRGWJJAOT-SNVBAGLBSA-N 0 0 320.339 3.480 20 10 DGCDRN COc1ccc(N(C)Cc2cccc3c2CCOC3)c(OC)c1 ZINC000864020388 621727927 /nfs/dbraw/zinc/72/79/27/621727927.db2.gz WRWRUHXWFFDROQ-UHFFFAOYSA-N 0 0 313.397 3.413 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000757629702 621729772 /nfs/dbraw/zinc/72/97/72/621729772.db2.gz FSKGFSNVQRZTEW-IINYFYTJSA-N 0 0 308.378 3.297 20 10 DGCDRN Cc1nnc(CN[C@H](C)c2cc3c(cc2O)CCCC3)s1 ZINC000757636962 621730047 /nfs/dbraw/zinc/73/00/47/621730047.db2.gz FUAOVCVQGOTBQQ-SNVBAGLBSA-N 0 0 303.431 3.282 20 10 DGCDRN [O-]c1c(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)ccc(F)c1F ZINC000864049348 621731573 /nfs/dbraw/zinc/73/15/73/621731573.db2.gz FVZKLUZQGVXPEB-WFASDCNBSA-N 0 0 311.372 3.452 20 10 DGCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2cccc3c2OCO3)c1 ZINC000757659863 621732010 /nfs/dbraw/zinc/73/20/10/621732010.db2.gz SNGSNICTRREWHZ-SNVBAGLBSA-N 0 0 315.325 3.081 20 10 DGCDRN C[C@H](C[C@H](C)O)[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000757659031 621732059 /nfs/dbraw/zinc/73/20/59/621732059.db2.gz XGWXQKNRNPXZSQ-HRDYMLBCSA-N 0 0 320.202 3.104 20 10 DGCDRN COc1cccc(CNC(=O)NCC2(C)CCCCC2)c1O ZINC000757742506 621737016 /nfs/dbraw/zinc/73/70/16/621737016.db2.gz QAWCRSINTBREEF-UHFFFAOYSA-N 0 0 306.406 3.170 20 10 DGCDRN CN(C)c1ccc(CN2CCN(Cc3cccs3)CC2)cc1 ZINC000119884937 621746902 /nfs/dbraw/zinc/74/69/02/621746902.db2.gz RMLKKYLYLARRNV-UHFFFAOYSA-N 0 0 315.486 3.132 20 10 DGCDRN CCCN(CCO)C(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC000757942656 621748127 /nfs/dbraw/zinc/74/81/27/621748127.db2.gz RMWXNLBRMBKEQJ-UHFFFAOYSA-N 0 0 314.429 3.247 20 10 DGCDRN O=C(NCc1ccccc1O)c1cncc(-c2ccccc2)c1 ZINC000758279594 621772957 /nfs/dbraw/zinc/77/29/57/621772957.db2.gz MOKICULWVJNZSP-UHFFFAOYSA-N 0 0 304.349 3.384 20 10 DGCDRN CN(C)c1ccc(C[NH2+]Cc2cccc(CCC(=O)[O-])c2)cc1 ZINC000864517696 621776919 /nfs/dbraw/zinc/77/69/19/621776919.db2.gz KWMUBBGUSBINAQ-UHFFFAOYSA-N 0 0 312.413 3.060 20 10 DGCDRN C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)cc1F ZINC000120094493 621781308 /nfs/dbraw/zinc/78/13/08/621781308.db2.gz JXVDXUQSZNNVHH-VIFPVBQESA-N 0 0 308.284 3.429 20 10 DGCDRN COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000120100854 621781925 /nfs/dbraw/zinc/78/19/25/621781925.db2.gz FWYKHGVEVPRXNV-LBPRGKRZSA-N 0 0 316.357 3.468 20 10 DGCDRN C[C@H](OC(=O)c1cccc(O)c1O)c1ncc(C(C)(C)C)o1 ZINC000758581947 621790408 /nfs/dbraw/zinc/79/04/08/621790408.db2.gz QMQRCBBOWSQNBB-VIFPVBQESA-N 0 0 305.330 3.301 20 10 DGCDRN Nc1ccc(-n2cc(CN[C@H]3CCCc4ccccc43)nn2)cc1 ZINC000864619185 621792443 /nfs/dbraw/zinc/79/24/43/621792443.db2.gz AROKPTQLMDSNIK-IBGZPJMESA-N 0 0 319.412 3.017 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CC12CCCC2 ZINC000758790767 621801271 /nfs/dbraw/zinc/80/12/71/621801271.db2.gz OGGFSNIQJYPOPX-INIZCTEOSA-N 0 0 301.434 3.193 20 10 DGCDRN CN(c1ccc(CNC(=O)c2cnco2)cc1)C1CCCCC1 ZINC000758784183 621801481 /nfs/dbraw/zinc/80/14/81/621801481.db2.gz FFUVOOIZLNBOSM-UHFFFAOYSA-N 0 0 313.401 3.374 20 10 DGCDRN CC[C@]1(C)CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000758802084 621801997 /nfs/dbraw/zinc/80/19/97/621801997.db2.gz IYPFTWYUMJDDGG-LJQANCHMSA-N 0 0 313.445 3.394 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C2CC3(CSC3)C2)cc1 ZINC000864926072 621831205 /nfs/dbraw/zinc/83/12/05/621831205.db2.gz AFAOYBGECUVXJC-UHFFFAOYSA-N 0 0 318.486 3.292 20 10 DGCDRN CCOCCCCCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000865050105 621852729 /nfs/dbraw/zinc/85/27/29/621852729.db2.gz APFQFXRBSIYHJX-UHFFFAOYSA-N 0 0 310.413 3.105 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCc1ccc(F)cc1F ZINC000759581942 621873142 /nfs/dbraw/zinc/87/31/42/621873142.db2.gz XMCYYUSEUWFYKG-QHHAFSJGSA-N 0 0 306.264 3.133 20 10 DGCDRN CC(C)[C@H]1CCN(C(=O)NCCCSc2nccs2)C1 ZINC000759584771 621873644 /nfs/dbraw/zinc/87/36/44/621873644.db2.gz DBNGSDVLYOQINU-LBPRGKRZSA-N 0 0 313.492 3.313 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCc1ccc(F)c(F)c1 ZINC000759596941 621874025 /nfs/dbraw/zinc/87/40/25/621874025.db2.gz WUYQXZNXUNSDCB-ZZXKWVIFSA-N 0 0 306.264 3.133 20 10 DGCDRN COc1cccc(CNC(=O)NCC2CCC(C)(C)CC2)c1O ZINC000759684183 621883095 /nfs/dbraw/zinc/88/30/95/621883095.db2.gz RINMTLOAMIULJW-UHFFFAOYSA-N 0 0 320.433 3.416 20 10 DGCDRN c1cc(N2CCCCC2)ccc1CNc1ncc2c(n1)CCOC2 ZINC000865294624 621892171 /nfs/dbraw/zinc/89/21/71/621892171.db2.gz QTOJLVXTJRMWBG-UHFFFAOYSA-N 0 0 324.428 3.152 20 10 DGCDRN COC(=O)c1cnc(SC[C@@H]2CCC(C)(C)CO2)s1 ZINC000865369298 621903260 /nfs/dbraw/zinc/90/32/60/621903260.db2.gz QLMRNRZNSFLBIP-VIFPVBQESA-N 0 0 301.433 3.227 20 10 DGCDRN C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1ccc[nH]1 ZINC000760346078 621933684 /nfs/dbraw/zinc/93/36/84/621933684.db2.gz IRNRYPFSUIWUPW-GFCCVEGCSA-N 0 0 313.401 3.160 20 10 DGCDRN CCCC1(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)CC1 ZINC000760377852 621936429 /nfs/dbraw/zinc/93/64/29/621936429.db2.gz JSZBASQIEMXWPA-UHFFFAOYSA-N 0 0 316.445 3.314 20 10 DGCDRN CCOc1ccc(C[C@H](C)CNC(=O)C2=CC(=O)CS2)cc1 ZINC000839792138 621941289 /nfs/dbraw/zinc/94/12/89/621941289.db2.gz NOUDMKRTWGFPRD-LBPRGKRZSA-N 0 0 319.426 3.461 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)c1ccc[nH]1 ZINC000760875719 621970650 /nfs/dbraw/zinc/97/06/50/621970650.db2.gz YLIUYTAUUPUVNT-CYBMUJFWSA-N 0 0 301.390 3.403 20 10 DGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)C1SCCS1 ZINC000761147971 621990846 /nfs/dbraw/zinc/99/08/46/621990846.db2.gz ZVBJAFFOEYZXCE-UHFFFAOYSA-N 0 0 322.499 3.099 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000865783056 621995004 /nfs/dbraw/zinc/99/50/04/621995004.db2.gz FTJZUFSVGGKGTB-RYUDHWBXSA-N 0 0 313.800 3.337 20 10 DGCDRN CN(C)c1ccc(/C=C/CNCc2nn(C)cc2C(F)F)cc1 ZINC000865806521 621998489 /nfs/dbraw/zinc/99/84/89/621998489.db2.gz BINWHSBNBAFYCU-SNAWJCMRSA-N 0 0 320.387 3.227 20 10 DGCDRN CCC(CC)[C@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000761386577 622004798 /nfs/dbraw/zinc/00/47/98/622004798.db2.gz ZMVALRXICSZMRI-HNNXBMFYSA-N 0 0 318.461 3.212 20 10 DGCDRN FCCn1ccc(NCc2ccc(N3CCCCC3)cc2)n1 ZINC000865838148 622005103 /nfs/dbraw/zinc/00/51/03/622005103.db2.gz QGHHLCHNCISLLR-UHFFFAOYSA-N 0 0 302.397 3.455 20 10 DGCDRN CCCCC[C@H]1NC(=O)N([C@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000761573615 622018458 /nfs/dbraw/zinc/01/84/58/622018458.db2.gz DBKLYLMLQGGSKI-CZUORRHYSA-N 0 0 317.433 3.314 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)CCOc1ccccc1Cl ZINC000761746135 622027379 /nfs/dbraw/zinc/02/73/79/622027379.db2.gz PWGLIVKJKMLHKM-UHFFFAOYSA-N 0 0 319.788 3.473 20 10 DGCDRN CC[C@H]([NH2+][C@H](C)CC(N)=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000806142817 622031727 /nfs/dbraw/zinc/03/17/27/622031727.db2.gz GBZCKEKJYIQFDQ-HQJQHLMTSA-N 0 0 305.205 3.004 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)[C@H]3CCSC3)cc2)CC1 ZINC000762179636 622060390 /nfs/dbraw/zinc/06/03/90/622060390.db2.gz VMQZYXVAACQOBG-INIZCTEOSA-N 0 0 318.486 3.292 20 10 DGCDRN Cc1ccc(C(=O)N(C)Cc2ccc(F)c(Cl)c2)c(O)c1O ZINC000762370456 622071224 /nfs/dbraw/zinc/07/12/24/622071224.db2.gz WQGROPHVHXOWTE-UHFFFAOYSA-N 0 0 323.751 3.471 20 10 DGCDRN CCC[C@@H](O)CNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000762431476 622074825 /nfs/dbraw/zinc/07/48/25/622074825.db2.gz SRKNPSTZADSUDM-QGZVFWFLSA-N 0 0 314.429 3.293 20 10 DGCDRN CCC[C@H](O)CNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000762431475 622074898 /nfs/dbraw/zinc/07/48/98/622074898.db2.gz SRKNPSTZADSUDM-KRWDZBQOSA-N 0 0 314.429 3.293 20 10 DGCDRN COC(=O)CCC(C)(C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000762788164 622098484 /nfs/dbraw/zinc/09/84/84/622098484.db2.gz VMLZVYJAQRETDM-UHFFFAOYSA-N 0 0 303.761 3.006 20 10 DGCDRN Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C)Cc2ccc(O)c(O)c2)n1 ZINC000762800212 622099457 /nfs/dbraw/zinc/09/94/57/622099457.db2.gz NOUOWMDMMJSUNN-LLVKDONJSA-N 0 0 317.345 3.061 20 10 DGCDRN C[C@H]([NH2+][C@@H](C1CCC1)[C@H]1CCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866491477 622126755 /nfs/dbraw/zinc/12/67/55/622126755.db2.gz RWRQYOXYVRRDJA-JECHBYEQSA-N 0 0 320.389 3.299 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccnc(CO)c2)cc1 ZINC000763241091 622132585 /nfs/dbraw/zinc/13/25/85/622132585.db2.gz HCEWIAXCBQZLNI-UHFFFAOYSA-N 0 0 321.380 3.234 20 10 DGCDRN CCN(CC)c1ccc(CNc2nnc(COC)s2)cc1 ZINC000763330146 622138506 /nfs/dbraw/zinc/13/85/06/622138506.db2.gz QDQDZAQMVICBFJ-UHFFFAOYSA-N 0 0 306.435 3.143 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1c2ccccc2CN1C)c1ccc(F)cc1[O-] ZINC000866563004 622138910 /nfs/dbraw/zinc/13/89/10/622138910.db2.gz IMNVLWLHCNVZJX-PXAZEXFGSA-N 0 0 300.377 3.369 20 10 DGCDRN C[C@@H](Nc1cccc2c1NC(=O)CO2)c1ccc(N(C)C)cc1 ZINC000866631051 622150357 /nfs/dbraw/zinc/15/03/57/622150357.db2.gz CTSFSTCLXZLQDE-GFCCVEGCSA-N 0 0 311.385 3.257 20 10 DGCDRN Cc1cc(F)ncc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000866770674 622163305 /nfs/dbraw/zinc/16/33/05/622163305.db2.gz BDWOYKHRUZQHKF-UHFFFAOYSA-N 0 0 314.360 3.044 20 10 DGCDRN C[C@H](NC(=O)Cc1cccnc1Cl)c1ccc(N(C)C)cc1 ZINC000867502863 622169168 /nfs/dbraw/zinc/16/91/68/622169168.db2.gz CPDZDOJBULWTND-LBPRGKRZSA-N 0 0 317.820 3.221 20 10 DGCDRN COc1ccc(N(C)C[C@H](O)c2ccc(F)cc2F)cc1F ZINC000121693430 622174239 /nfs/dbraw/zinc/17/42/39/622174239.db2.gz FLOZNWWRNPXVFO-HNNXBMFYSA-N 0 0 311.303 3.282 20 10 DGCDRN C[C@@H](NC(=O)[C@H]1CC(=O)c2ccccc21)c1ccc(N(C)C)cc1 ZINC000789665180 625547058 /nfs/dbraw/zinc/54/70/58/625547058.db2.gz BABPTTDTBJSSCK-ACJLOTCBSA-N 0 0 322.408 3.300 20 10 DGCDRN C[C@@H](NC(=O)NCCCOC1CCCCC1)c1ccccc1O ZINC000867985537 622200447 /nfs/dbraw/zinc/20/04/47/622200447.db2.gz GUPYLVPOXGSCLE-CQSZACIVSA-N 0 0 320.433 3.492 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CCC=C(F)C2)cc1F ZINC000764727045 622216258 /nfs/dbraw/zinc/21/62/58/622216258.db2.gz XGRGSXKIBKBRQX-UHFFFAOYSA-N 0 0 323.387 3.441 20 10 DGCDRN Nc1ccc(NC(=O)NCC2([C@@H]3CCCCO3)CCC2)cc1 ZINC000868162060 622220096 /nfs/dbraw/zinc/22/00/96/622220096.db2.gz CGEPCMACCLZYCT-HNNXBMFYSA-N 0 0 303.406 3.130 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1)c1ccccc1O ZINC000868165219 622221230 /nfs/dbraw/zinc/22/12/30/622221230.db2.gz ZYEJTECMRHLWQG-KNXALSJPSA-N 0 0 314.360 3.448 20 10 DGCDRN CCc1cc(NCc2cccc(Br)c2O)ncn1 ZINC000764933104 622234075 /nfs/dbraw/zinc/23/40/75/622234075.db2.gz CBXXKUJWTVZSJU-UHFFFAOYSA-N 0 0 308.179 3.119 20 10 DGCDRN COC[C@@H](NC(=O)N[C@H](C)c1ccccc1O)c1ccccc1 ZINC000868470048 622246329 /nfs/dbraw/zinc/24/63/29/622246329.db2.gz PVAVBFGIDANZDT-CZUORRHYSA-N 0 0 314.385 3.140 20 10 DGCDRN C[C@@H](NC(=O)N[C@H]1CC(C)(C)OC1(C)C)c1ccccc1O ZINC000868483621 622248376 /nfs/dbraw/zinc/24/83/76/622248376.db2.gz ZIJIXZMTYLGBCH-RISCZKNCSA-N 0 0 306.406 3.099 20 10 DGCDRN CC(C)C[C@H]1OCCC[C@@H]1NC(=O)N[C@H](C)c1ccccc1O ZINC000868516450 622253269 /nfs/dbraw/zinc/25/32/69/622253269.db2.gz IIOXAAYWRDRPBI-UKPHBRMFSA-N 0 0 320.433 3.346 20 10 DGCDRN CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N[C@H](C)c1ccccc1O ZINC000868516447 622253314 /nfs/dbraw/zinc/25/33/14/622253314.db2.gz IIOXAAYWRDRPBI-KMFMINBZSA-N 0 0 320.433 3.346 20 10 DGCDRN CC(C)[C@H]1C[C@H](CNC(=O)N[C@@H](C)c2ccccc2O)CCO1 ZINC000868671725 622271460 /nfs/dbraw/zinc/27/14/60/622271460.db2.gz CMIOCPSQIUXEAU-JJRVBVJISA-N 0 0 320.433 3.204 20 10 DGCDRN CC(=O)c1cccc(C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000765568522 622273926 /nfs/dbraw/zinc/27/39/26/622273926.db2.gz TYRMZFLSEWLWGL-UHFFFAOYSA-N 0 0 310.397 3.194 20 10 DGCDRN CC[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CC[C@@H]1[NH3+] ZINC000122269084 622275185 /nfs/dbraw/zinc/27/51/85/622275185.db2.gz RMBLKQAFSIOOPO-ZANVPECISA-N 0 0 303.233 3.258 20 10 DGCDRN C[C@@H](NC(=O)N[C@H]1C[C@]1(F)c1ccccc1)c1ccccc1O ZINC000868725802 622277801 /nfs/dbraw/zinc/27/78/01/622277801.db2.gz PHNSGVLNJHYQML-PUECVXPYSA-N 0 0 314.360 3.390 20 10 DGCDRN Cc1cnc(CCNC(=O)N[C@@H](C)c2ccccc2O)c(C)c1 ZINC000868752028 622281084 /nfs/dbraw/zinc/28/10/84/622281084.db2.gz SEZANKHLKXJSGA-AWEZNQCLSA-N 0 0 313.401 3.007 20 10 DGCDRN COC[C@H](CC(C)(C)C)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868752532 622281145 /nfs/dbraw/zinc/28/11/45/622281145.db2.gz POCJLYRQPXXYOS-STQMWFEESA-N 0 0 308.422 3.204 20 10 DGCDRN CC[C@H](NC(=O)N[C@H](C)c1ccccc1O)[C@H]1CCCCO1 ZINC000868754255 622281590 /nfs/dbraw/zinc/28/15/90/622281590.db2.gz HLIQCOPCJIGJTJ-IVMMDQJWSA-N 0 0 306.406 3.100 20 10 DGCDRN C[C@H](C(=O)NCc1cccc(Br)c1O)c1ccco1 ZINC000765732045 622284596 /nfs/dbraw/zinc/28/45/96/622284596.db2.gz OTOZMOLKEABITM-VIFPVBQESA-N 0 0 324.174 3.168 20 10 DGCDRN C[C@@H](NC(=O)NCC[C@H]1CC1(Cl)Cl)c1ccccc1O ZINC000868796980 622286172 /nfs/dbraw/zinc/28/61/72/622286172.db2.gz ZNXDVGALXWXOTN-ZJUUUORDSA-N 0 0 317.216 3.336 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](CCO)C(C)C ZINC000765851664 622291427 /nfs/dbraw/zinc/29/14/27/622291427.db2.gz PMLRLYULNPACCI-CQSZACIVSA-N 0 0 320.458 3.292 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCCC[C@@H]2F)c1 ZINC000868919120 622299354 /nfs/dbraw/zinc/29/93/54/622299354.db2.gz XOBJHBCLQLDTTH-LEWSCRJBSA-N 0 0 310.369 3.042 20 10 DGCDRN COc1ccc2c(c1)CCCCN2CCn1c(C)csc1=O ZINC000766269421 622316355 /nfs/dbraw/zinc/31/63/55/622316355.db2.gz KCQSDOOJWOXPFW-UHFFFAOYSA-N 0 0 318.442 3.070 20 10 DGCDRN Cc1scc(CNC(=O)NCc2c(O)cccc2F)c1C ZINC000923605671 622316513 /nfs/dbraw/zinc/31/65/13/622316513.db2.gz HHWDWTASUWFUFA-UHFFFAOYSA-N 0 0 308.378 3.209 20 10 DGCDRN COc1ccc(CNC(=S)Nc2cc(C)ccc2C)nc1 ZINC000766512588 622335432 /nfs/dbraw/zinc/33/54/32/622335432.db2.gz NSJKLAKCEFQQDS-UHFFFAOYSA-N 0 0 301.415 3.194 20 10 DGCDRN Cc1c(CN(Cc2ccco2)Cc2ccccc2O)cnn1C ZINC000766885845 622359171 /nfs/dbraw/zinc/35/91/71/622359171.db2.gz XOIXUKNXIKLQKN-UHFFFAOYSA-N 0 0 311.385 3.230 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Nc1cccc(OCCF)c1 ZINC000122684301 622386019 /nfs/dbraw/zinc/38/60/19/622386019.db2.gz HCJVONKGNLOAKR-UHFFFAOYSA-N 0 0 318.348 3.404 20 10 DGCDRN COC(=O)c1oc([C@H](C)OC(=O)C2=CC(=O)CS2)cc1C ZINC000767345013 622391576 /nfs/dbraw/zinc/39/15/76/622391576.db2.gz INZLAQONAPXITM-QMMMGPOBSA-N 0 0 310.327 3.060 20 10 DGCDRN Cc1cc(CN2CCCc3cc(OC(F)F)ccc32)nn1C ZINC000767889383 622426539 /nfs/dbraw/zinc/42/65/39/622426539.db2.gz IOXCERCQLSVNSA-UHFFFAOYSA-N 0 0 307.344 3.283 20 10 DGCDRN CSc1cc(NC(=O)NCc2ccc(N(C)C)cc2)ccn1 ZINC000767954954 622429934 /nfs/dbraw/zinc/42/99/34/622429934.db2.gz SEPIILYOCFVUIO-UHFFFAOYSA-N 0 0 316.430 3.191 20 10 DGCDRN Cc1ccc(C(=O)N2CCC3(CCSCC3)CC2)c(O)c1O ZINC000870250525 622447315 /nfs/dbraw/zinc/44/73/15/622447315.db2.gz OJUSYRKCUWUFMR-UHFFFAOYSA-N 0 0 321.442 3.156 20 10 DGCDRN CN(CC(=O)N(C)C1CCCCC1)Cc1cc(Cl)ccc1O ZINC000768303479 622449272 /nfs/dbraw/zinc/44/92/72/622449272.db2.gz RZTWQTBUDFGKEC-UHFFFAOYSA-N 0 0 324.852 3.269 20 10 DGCDRN CCC(=O)CNC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000768366701 622452478 /nfs/dbraw/zinc/45/24/78/622452478.db2.gz CLMIZMGXBIMMRZ-UHFFFAOYSA-N 0 0 318.804 3.456 20 10 DGCDRN Cc1oc2ccccc2c1CCNC(=O)C1=CC(=O)CS1 ZINC000768731141 622473417 /nfs/dbraw/zinc/47/34/17/622473417.db2.gz XLEAIHLNUGGTQT-UHFFFAOYSA-N 0 0 301.367 3.481 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCC(C)(C)C2)cc1 ZINC000768775306 622476470 /nfs/dbraw/zinc/47/64/70/622476470.db2.gz ZIELHHVIHRWLGC-OAHLLOKOSA-N 0 0 303.450 3.473 20 10 DGCDRN C[C@H](CCC1CC1)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000768940558 622487079 /nfs/dbraw/zinc/48/70/79/622487079.db2.gz KLWXGZJEMTWWBS-OAHLLOKOSA-N 0 0 313.445 3.441 20 10 DGCDRN C[C@H](CC(=O)NCc1ccc(N2CCCC2)cc1)c1ccncc1 ZINC000768950742 622487525 /nfs/dbraw/zinc/48/75/25/622487525.db2.gz SFWYTHOURHFJNR-MRXNPFEDSA-N 0 0 323.440 3.492 20 10 DGCDRN CCc1nc([C@H]2CCCCN2Cc2c(O)cccc2OC)no1 ZINC000768969359 622488991 /nfs/dbraw/zinc/48/89/91/622488991.db2.gz ZCCWZKDNFRCXCZ-CYBMUJFWSA-N 0 0 317.389 3.073 20 10 DGCDRN COc1cccc(O)c1CN1CCO[C@H](c2cccc(F)c2)C1 ZINC000769306818 622516222 /nfs/dbraw/zinc/51/62/22/622516222.db2.gz CTPCZRDZFBLTLL-SFHVURJKSA-N 0 0 317.360 3.113 20 10 DGCDRN COc1cccc(CN(Cc2cc[nH]n2)Cc2ccccc2)c1O ZINC000769326802 622518045 /nfs/dbraw/zinc/51/80/45/622518045.db2.gz HLOZJQYCHHRQLD-UHFFFAOYSA-N 0 0 323.396 3.326 20 10 DGCDRN COc1ccc(SCCC(=O)NCc2ccccc2O)cc1 ZINC000769365675 622520545 /nfs/dbraw/zinc/52/05/45/622520545.db2.gz QXVWVMGFFTVHHL-UHFFFAOYSA-N 0 0 317.410 3.199 20 10 DGCDRN O=C(/C=C\c1ccnc2ccccc12)NCc1ccccc1O ZINC000769365682 622520596 /nfs/dbraw/zinc/52/05/96/622520596.db2.gz RFJRVKWCEGRURC-KTKRTIGZSA-N 0 0 304.349 3.270 20 10 DGCDRN COc1ccc(NCc2cc(Br)ccc2O)nc1 ZINC000769406025 622525323 /nfs/dbraw/zinc/52/53/23/622525323.db2.gz KAOWTNKKKVJOPN-UHFFFAOYSA-N 0 0 309.163 3.170 20 10 DGCDRN CCn1cc(C[N@H+](C)Cc2cccc(Br)c2[O-])cn1 ZINC000769426745 622527366 /nfs/dbraw/zinc/52/73/66/622527366.db2.gz HOFDMPNZSAVOJQ-UHFFFAOYSA-N 0 0 324.222 3.003 20 10 DGCDRN CN(C)c1ccc(CN2CCC[C@@H]2C(=O)OC(C)(C)C)cc1F ZINC000769497883 622534191 /nfs/dbraw/zinc/53/41/91/622534191.db2.gz GYWATQUGACKCLK-MRXNPFEDSA-N 0 0 322.424 3.198 20 10 DGCDRN CCOc1cccc(CN2CCC[C@@H]2C(=O)OC(C)(C)C)c1O ZINC000769498590 622534498 /nfs/dbraw/zinc/53/44/98/622534498.db2.gz MGTOGTAVNRPRIX-CQSZACIVSA-N 0 0 321.417 3.097 20 10 DGCDRN COc1cccc(O)c1CN1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000769514404 622536793 /nfs/dbraw/zinc/53/67/93/622536793.db2.gz LYDOOKOLZRLEST-SJCJKPOMSA-N 0 0 319.426 3.424 20 10 DGCDRN CCc1noc(C)c1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000769558454 622540653 /nfs/dbraw/zinc/54/06/53/622540653.db2.gz RVVXOVPZSAWYRQ-UHFFFAOYSA-N 0 0 314.385 3.060 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cccc2n[nH]cc21 ZINC000769561895 622541253 /nfs/dbraw/zinc/54/12/53/622541253.db2.gz FTODYGPRMRHLRG-UHFFFAOYSA-N 0 0 321.380 3.077 20 10 DGCDRN COc1cccc(CNC(=O)c2cccc(C)c2Cl)c1O ZINC000123508701 622553922 /nfs/dbraw/zinc/55/39/22/622553922.db2.gz FPUUWEDSNHVSGK-UHFFFAOYSA-N 0 0 305.761 3.293 20 10 DGCDRN C[C@@H](CCOc1ccccc1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871202483 622566497 /nfs/dbraw/zinc/56/64/97/622566497.db2.gz JCDQTAMMFFUSTO-AWEZNQCLSA-N 0 0 311.381 3.340 20 10 DGCDRN COc1cccc([C@@H](C)CC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871202579 622567166 /nfs/dbraw/zinc/56/71/66/622567166.db2.gz BDUJLUQVUIAEHW-ZDUSSCGKSA-N 0 0 311.381 3.437 20 10 DGCDRN Cc1cc2c(cc1C)[C@H](C(=O)N1Cc3cccc(O)c3C1)CO2 ZINC000871204409 622567901 /nfs/dbraw/zinc/56/79/01/622567901.db2.gz HZPGODYRRFKGPW-MRXNPFEDSA-N 0 0 309.365 3.027 20 10 DGCDRN CCc1ccccc1OCCC(=O)N1Cc2cccc(O)c2C1 ZINC000871205813 622568124 /nfs/dbraw/zinc/56/81/24/622568124.db2.gz YWGWHFPWSIAZHO-UHFFFAOYSA-N 0 0 311.381 3.266 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N3CCCC34CCC4)ccc21 ZINC000770444004 622634398 /nfs/dbraw/zinc/63/43/98/622634398.db2.gz CSNVGEPCUWYPNR-UHFFFAOYSA-N 0 0 313.445 3.297 20 10 DGCDRN C[C@@H]1C[C@H](C)N1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000888586118 622685771 /nfs/dbraw/zinc/68/57/71/622685771.db2.gz WGJXZLDCTJJBIB-BETUJISGSA-N 0 0 321.384 3.411 20 10 DGCDRN CC(C)Nc1ccccc1NCc1ccc(S(C)(=O)=O)o1 ZINC000871846317 622714007 /nfs/dbraw/zinc/71/40/07/622714007.db2.gz WHHLXSXMGIWGCC-UHFFFAOYSA-N 0 0 308.403 3.116 20 10 DGCDRN CO[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C(C)C ZINC000771105427 622714030 /nfs/dbraw/zinc/71/40/30/622714030.db2.gz UQYZHKYUYVXXBU-GOSISDBHSA-N 0 0 318.461 3.306 20 10 DGCDRN O=C(N[C@H]1CCc2c1cccc2Cl)c1c(F)ccc(O)c1O ZINC000789963124 625588690 /nfs/dbraw/zinc/58/86/90/625588690.db2.gz IDAZQEOQHRZCQF-LBPRGKRZSA-N 0 0 321.735 3.308 20 10 DGCDRN CCc1nnc(CN(Cc2ccccc2O)C2CCCC2)[nH]1 ZINC000771759835 622794927 /nfs/dbraw/zinc/79/49/27/622794927.db2.gz BOJGCGFEEXXNDZ-UHFFFAOYSA-N 0 0 300.406 3.018 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cc(F)c(F)cc2F)cc1 ZINC000123952842 622804466 /nfs/dbraw/zinc/80/44/66/622804466.db2.gz CHHMZUNXRVHHHX-UHFFFAOYSA-N 0 0 308.303 3.100 20 10 DGCDRN COc1ccc(N2CCN(C(=O)[C@H](C)CC(C)(C)C)CC2)cc1 ZINC000771869814 622806950 /nfs/dbraw/zinc/80/69/50/622806950.db2.gz YOBPASMNTQUMGV-OAHLLOKOSA-N 0 0 318.461 3.416 20 10 DGCDRN Cc1nonc1CN[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000872135705 622827784 /nfs/dbraw/zinc/82/77/84/622827784.db2.gz HWJOKRXAJNLOOC-CYBMUJFWSA-N 0 0 300.406 3.219 20 10 DGCDRN CC1(C)CCc2onc(-c3nc(Cc4ccc(N)cc4)no3)c2C1 ZINC000872171326 622850104 /nfs/dbraw/zinc/85/01/04/622850104.db2.gz RRAIPICUECBACM-UHFFFAOYSA-N 0 0 324.384 3.413 20 10 DGCDRN O=C(NCc1ccc(N2CCSCC2)cc1)C1(F)CCCC1 ZINC000772237673 622871019 /nfs/dbraw/zinc/87/10/19/622871019.db2.gz POWJGUVLEDEZJS-UHFFFAOYSA-N 0 0 322.449 3.138 20 10 DGCDRN C[C@@H](Nc1ncncc1Br)c1ccc(N(C)C)cc1 ZINC000772301944 622882585 /nfs/dbraw/zinc/88/25/85/622882585.db2.gz XWDCJXAAZLFWBT-SNVBAGLBSA-N 0 0 321.222 3.478 20 10 DGCDRN C[C@H](CC(C)(C)C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000772348108 622887456 /nfs/dbraw/zinc/88/74/56/622887456.db2.gz BIWGQQUPMJRWJV-OAHLLOKOSA-N 0 0 318.461 3.212 20 10 DGCDRN CCC(C)(C)CCS(=O)(=O)Nc1ccc(O)c(F)c1F ZINC000872373789 622899662 /nfs/dbraw/zinc/89/96/62/622899662.db2.gz QEOYRUWHZUHZSH-UHFFFAOYSA-N 0 0 307.362 3.238 20 10 DGCDRN Cc1ccccc1OCCOC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000772777649 622937885 /nfs/dbraw/zinc/93/78/85/622937885.db2.gz WUVGOPTURPLCHU-CLFYSBASSA-N 0 0 314.337 3.042 20 10 DGCDRN CCN1C(=O)/C(=C/c2cncc3ccccc23)SC1=S ZINC000772802114 622942358 /nfs/dbraw/zinc/94/23/58/622942358.db2.gz KVPISWDVFPHFDM-QPEQYQDCSA-N 0 0 300.408 3.456 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)COC2(C)CCC2)C2CC2)cc1 ZINC000772993760 622962554 /nfs/dbraw/zinc/96/25/54/622962554.db2.gz NXYNPPZVOBKJRM-UHFFFAOYSA-N 0 0 316.445 3.203 20 10 DGCDRN Cc1noc(C2CC2)c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000772996387 622963182 /nfs/dbraw/zinc/96/31/82/622963182.db2.gz DLVJAERHASUSGR-LLVKDONJSA-N 0 0 313.401 3.417 20 10 DGCDRN C[C@H](NC(=O)CSCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773013175 622966885 /nfs/dbraw/zinc/96/68/85/622966885.db2.gz JGRSAKCYIGXAAF-JTQLQIEISA-N 0 0 320.380 3.225 20 10 DGCDRN C[C@H](NC(=O)Cc1cccc(F)c1F)c1ccc(N(C)C)cc1 ZINC000773014936 622967004 /nfs/dbraw/zinc/96/70/04/622967004.db2.gz NQQIZLATKLTWTF-LBPRGKRZSA-N 0 0 318.367 3.451 20 10 DGCDRN CCOc1ncccc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773017663 622968390 /nfs/dbraw/zinc/96/83/90/622968390.db2.gz URDKUPDLELVWMR-ZDUSSCGKSA-N 0 0 313.401 3.037 20 10 DGCDRN COc1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(F)c1 ZINC000773020764 622968647 /nfs/dbraw/zinc/96/86/47/622968647.db2.gz VNWISJNALMWKRH-GFCCVEGCSA-N 0 0 316.376 3.391 20 10 DGCDRN C[C@@H](NS(=O)(=O)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000773085997 622981135 /nfs/dbraw/zinc/98/11/35/622981135.db2.gz BAQMKKYJSQZFNK-CYBMUJFWSA-N 0 0 310.463 3.066 20 10 DGCDRN C[C@@H](NC(=O)NCc1ccsc1)c1ccc(N(C)C)cc1 ZINC000773185138 622996901 /nfs/dbraw/zinc/99/69/01/622996901.db2.gz NCEBCWJWHCEEDK-GFCCVEGCSA-N 0 0 303.431 3.375 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1ccc(-c2ccccc2)nn1 ZINC000773276300 623007834 /nfs/dbraw/zinc/00/78/34/623007834.db2.gz UUVRISGDRYGESR-UHFFFAOYSA-N 0 0 320.352 3.171 20 10 DGCDRN CCCC[C@H](COC)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773305961 623011146 /nfs/dbraw/zinc/01/11/46/623011146.db2.gz LSSGIPWECQPHIX-GDBMZVCRSA-N 0 0 321.465 3.318 20 10 DGCDRN CSC(C)(C)CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773347420 623015483 /nfs/dbraw/zinc/01/54/83/623015483.db2.gz VNDFAUHZGPCAFU-GFCCVEGCSA-N 0 0 309.479 3.254 20 10 DGCDRN C[C@@H](NC(=O)NC[C@@H]1CCCS1)c1ccc(N(C)C)cc1 ZINC000773375800 623018911 /nfs/dbraw/zinc/01/89/11/623018911.db2.gz MDMUKFQWLMEGGH-DOMZBBRYSA-N 0 0 307.463 3.008 20 10 DGCDRN C[C@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccc[nH]1 ZINC000773425466 623025848 /nfs/dbraw/zinc/02/58/48/623025848.db2.gz UWYDLLQRTKHMRP-STQMWFEESA-N 0 0 300.406 3.202 20 10 DGCDRN C[C@H](NC(=O)N1CC[C@H](C)[C@@H](F)C1)c1ccc(N(C)C)cc1 ZINC000773616380 623051340 /nfs/dbraw/zinc/05/13/40/623051340.db2.gz JUYDCYOSXOEWSS-XEZPLFJOSA-N 0 0 307.413 3.203 20 10 DGCDRN C[C@H](NC(=O)N1CC[C@@H](C)[C@H](F)C1)c1ccc(N(C)C)cc1 ZINC000773616376 623051542 /nfs/dbraw/zinc/05/15/42/623051542.db2.gz JUYDCYOSXOEWSS-DVOMOZLQSA-N 0 0 307.413 3.203 20 10 DGCDRN C[C@H](NC(=O)N1CCS[C@@H](C)[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000773614956 623051953 /nfs/dbraw/zinc/05/19/53/623051953.db2.gz VHKKQDSWSOYRPP-IHRRRGAJSA-N 0 0 321.490 3.349 20 10 DGCDRN CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C[C@@H](C)O1 ZINC000773623372 623052097 /nfs/dbraw/zinc/05/20/97/623052097.db2.gz HUTYISRCBOIGKP-JKIFEVAISA-N 0 0 319.449 3.023 20 10 DGCDRN Cc1cccc([C@@H](C)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000773748294 623066651 /nfs/dbraw/zinc/06/66/51/623066651.db2.gz JLUXKJWPLAJLHL-UONOGXRCSA-N 0 0 313.397 3.257 20 10 DGCDRN CCN(C)c1ccc(CN2Cc3ccc(C(=O)OC)cc3C2)cc1 ZINC000773754476 623069134 /nfs/dbraw/zinc/06/91/34/623069134.db2.gz FXFAJUGAEWPHEJ-UHFFFAOYSA-N 0 0 324.424 3.445 20 10 DGCDRN C[C@@H](NC(=O)c1nc(Cl)ccc1F)c1ccc(N(C)C)cc1 ZINC000773991449 623097309 /nfs/dbraw/zinc/09/73/09/623097309.db2.gz XYPIZNVUJIWEKS-SNVBAGLBSA-N 0 0 321.783 3.431 20 10 DGCDRN C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000773991381 623097768 /nfs/dbraw/zinc/09/77/68/623097768.db2.gz ALUJYXJMPRELQC-GFCCVEGCSA-N 0 0 313.357 3.152 20 10 DGCDRN Cc1nn(C)c2ncc(NCc3c(O)ccc(Cl)c3F)cc12 ZINC000790242807 625621201 /nfs/dbraw/zinc/62/12/01/625621201.db2.gz LDZFGRAHTJIYJD-UHFFFAOYSA-N 0 0 320.755 3.387 20 10 DGCDRN CC1(C)CCc2onc(CNC(=O)Nc3ccc(N)cc3)c2C1 ZINC000873328726 623113000 /nfs/dbraw/zinc/11/30/00/623113000.db2.gz SSWRHQMSXPYCJI-UHFFFAOYSA-N 0 0 314.389 3.093 20 10 DGCDRN CCC(C)(C)NC(=S)NCc1ccc(N2CCCC2)cc1 ZINC000774165963 623115163 /nfs/dbraw/zinc/11/51/63/623115163.db2.gz RWUZQCWOMKCCNQ-UHFFFAOYSA-N 0 0 305.491 3.440 20 10 DGCDRN CCC(C)(C)NC(=S)NCc1ccc2c(c1)CCCN2C ZINC000774173519 623116019 /nfs/dbraw/zinc/11/60/19/623116019.db2.gz MXFHQYSZDBZFMZ-UHFFFAOYSA-N 0 0 305.491 3.222 20 10 DGCDRN COCCOC[C@@H](C)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774254824 623124902 /nfs/dbraw/zinc/12/49/02/623124902.db2.gz RDVSQGHNURNERI-NXEZZACHSA-N 0 0 322.232 3.401 20 10 DGCDRN COCCOC[C@H](C)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774254828 623124958 /nfs/dbraw/zinc/12/49/58/623124958.db2.gz RDVSQGHNURNERI-VHSXEESVSA-N 0 0 322.232 3.401 20 10 DGCDRN COc1cccc(CNc2cc(C(F)(F)F)nc(C)n2)c1O ZINC000774524368 623155592 /nfs/dbraw/zinc/15/55/92/623155592.db2.gz PHQUGYKIQJKQDN-UHFFFAOYSA-N 0 0 313.279 3.130 20 10 DGCDRN Cc1cccc2nc(CN3CCOc4cc(N(C)C)ccc43)cn21 ZINC000774752833 623187349 /nfs/dbraw/zinc/18/73/49/623187349.db2.gz MTYSBKOINQHAMV-UHFFFAOYSA-N 0 0 322.412 3.108 20 10 DGCDRN COc1c([O-])c(C[NH+](CC(C)C)CC(C)C)ccc1[N+](=O)[O-] ZINC000774822495 623196698 /nfs/dbraw/zinc/19/66/98/623196698.db2.gz YUGXPVIIDYLZFG-UHFFFAOYSA-N 0 0 310.394 3.423 20 10 DGCDRN CC[C@H]1CCCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774904293 623207027 /nfs/dbraw/zinc/20/70/27/623207027.db2.gz GIFKSIMDKDOQSE-ZDUSSCGKSA-N 0 0 308.378 3.464 20 10 DGCDRN COc1cc(C)ccc1NCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774933894 623209759 /nfs/dbraw/zinc/20/97/59/623209759.db2.gz RBXXRWGHSHDRLK-UHFFFAOYSA-N 0 0 318.329 3.238 20 10 DGCDRN COc1c([O-])c(C[NH2+]C[C@H]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000774982977 623213740 /nfs/dbraw/zinc/21/37/40/623213740.db2.gz HHJHRSUXMNYVDV-VXGBXAGGSA-N 0 0 308.378 3.225 20 10 DGCDRN CCOc1ccc(CNc2cc(C)cc(OCCO)c2)c(O)c1 ZINC000775035236 623219012 /nfs/dbraw/zinc/21/90/12/623219012.db2.gz XLGUXEHVXJDGKL-UHFFFAOYSA-N 0 0 317.385 3.083 20 10 DGCDRN COc1c(O)c(CNc2ccc(SC)cn2)ccc1[N+](=O)[O-] ZINC000775038709 623219332 /nfs/dbraw/zinc/21/93/32/623219332.db2.gz ZXSFELAOSHQOKD-UHFFFAOYSA-N 0 0 321.358 3.038 20 10 DGCDRN CCC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775058977 623223300 /nfs/dbraw/zinc/22/33/00/623223300.db2.gz FYOVGQBVOQCXGE-CYBMUJFWSA-N 0 0 308.378 3.464 20 10 DGCDRN COC(=O)c1cnc(Sc2ncc(C(C)(C)C)s2)cn1 ZINC000882090321 625631292 /nfs/dbraw/zinc/63/12/92/625631292.db2.gz QQKZQTWIYVKHMU-UHFFFAOYSA-N 0 0 309.416 3.168 20 10 DGCDRN CC1(C(=O)NCc2ccc(N3CCCC3)cc2)CC(F)(F)C1 ZINC000874001399 623227864 /nfs/dbraw/zinc/22/78/64/623227864.db2.gz DXCZQYZMCFBUCM-UHFFFAOYSA-N 0 0 308.372 3.338 20 10 DGCDRN CC(C)[C@@H](C)N(C(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC000874178003 623246554 /nfs/dbraw/zinc/24/65/54/623246554.db2.gz KHRDGLRTOVSWKW-LLVKDONJSA-N 0 0 302.378 3.498 20 10 DGCDRN C[C@@H](NCC(F)(F)C(F)F)c1ccc(N2CCOCC2)cc1 ZINC000775254510 623246798 /nfs/dbraw/zinc/24/67/98/623246798.db2.gz JRRWAVUKGIWQNM-LLVKDONJSA-N 0 0 320.330 3.074 20 10 DGCDRN CCCn1ncnc1CN(CC(C)C)c1ccc(OC)cc1 ZINC000790312208 625634343 /nfs/dbraw/zinc/63/43/43/625634343.db2.gz YQKGXUCUZDLSQW-UHFFFAOYSA-N 0 0 302.422 3.359 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(O)cc1F)c1ccc(N(C)C)cc1 ZINC000775406899 623270458 /nfs/dbraw/zinc/27/04/58/623270458.db2.gz PZDKEECXJILIFP-LLVKDONJSA-N 0 0 302.349 3.088 20 10 DGCDRN C[C@@H](NC(=O)c1csc(C=O)c1)c1ccc(N(C)C)cc1 ZINC000775406881 623270470 /nfs/dbraw/zinc/27/04/70/623270470.db2.gz PRUHAPIAEIILBU-LLVKDONJSA-N 0 0 302.399 3.118 20 10 DGCDRN C[C@H](NC(=O)C(C)(C)c1cccnc1)c1ccc(N(C)C)cc1 ZINC000775411974 623271291 /nfs/dbraw/zinc/27/12/91/623271291.db2.gz SUNQADNRGYMPSG-AWEZNQCLSA-N 0 0 311.429 3.303 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ccncc1Br ZINC000775476853 623278231 /nfs/dbraw/zinc/27/82/31/623278231.db2.gz IOMLCPAZQMNNJZ-UHFFFAOYSA-N 0 0 320.234 3.253 20 10 DGCDRN CC[C@H]([NH2+][C@H]1CCCNC1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000775500700 623281849 /nfs/dbraw/zinc/28/18/49/623281849.db2.gz XDHKOKYYPCMZGD-QWRGUYRKSA-N 0 0 317.216 3.018 20 10 DGCDRN CC[C@@H](Nc1cccc(C(N)=O)c1OC)c1ccccc1O ZINC000775551431 623288670 /nfs/dbraw/zinc/28/86/70/623288670.db2.gz MPZZWAHSSRBDRS-CYBMUJFWSA-N 0 0 300.358 3.063 20 10 DGCDRN [O-]c1c(Cl)cccc1CN1CC[NH+](C2CCCCC2)CC1 ZINC000775647932 623304103 /nfs/dbraw/zinc/30/41/03/623304103.db2.gz IDFGJOWHAWRATA-UHFFFAOYSA-N 0 0 308.853 3.496 20 10 DGCDRN C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cccc(Cl)c1[O-] ZINC000775659457 623306964 /nfs/dbraw/zinc/30/69/64/623306964.db2.gz WZHZTJYULCFJGO-CYBMUJFWSA-N 0 0 305.805 3.429 20 10 DGCDRN CCc1noc(C)c1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775693066 623314786 /nfs/dbraw/zinc/31/47/86/623314786.db2.gz PXMVEACYOLGPDC-NSHDSACASA-N 0 0 316.405 3.494 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000775714439 623318649 /nfs/dbraw/zinc/31/86/49/623318649.db2.gz PGFQVEHPRBKJFQ-LBPRGKRZSA-N 0 0 312.816 3.102 20 10 DGCDRN CCN(C(=O)/C=C\c1cnc(OC)nc1)c1ccc(C)cc1C ZINC000775805513 623334702 /nfs/dbraw/zinc/33/47/02/623334702.db2.gz DAXAUZCDWRQGHP-CLFYSBASSA-N 0 0 311.385 3.168 20 10 DGCDRN CCN(C(=O)/C=C\c1cnc(OC)nc1)c1cccc(C)c1C ZINC000775817605 623336749 /nfs/dbraw/zinc/33/67/49/623336749.db2.gz GPCAPJHAQALWQR-KTKRTIGZSA-N 0 0 311.385 3.168 20 10 DGCDRN COc1ncc(/C=C\C(=O)N2CCC[C@H](C)c3ccccc32)cn1 ZINC000775898443 623347728 /nfs/dbraw/zinc/34/77/28/623347728.db2.gz WRKCHLNNWXYAFL-CMUBDUJZSA-N 0 0 323.396 3.429 20 10 DGCDRN C[C@H]1CN(Cc2cc3c(cc2O)OCO3)c2cccc(F)c2O1 ZINC000776008616 623363848 /nfs/dbraw/zinc/36/38/48/623363848.db2.gz UKALTKVBNFXAMM-JTQLQIEISA-N 0 0 317.316 3.048 20 10 DGCDRN CCOc1ccc(CNc2ccc(N3CCCC3)cn2)c(O)c1 ZINC000776036246 623368259 /nfs/dbraw/zinc/36/82/59/623368259.db2.gz IDWVVMPSIBWHEY-UHFFFAOYSA-N 0 0 313.401 3.398 20 10 DGCDRN COc1cc(Cl)ccc1NC(=O)NCc1ccccc1O ZINC000776077555 623372848 /nfs/dbraw/zinc/37/28/48/623372848.db2.gz JGLRQYJNMYBXMA-UHFFFAOYSA-N 0 0 306.749 3.376 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H](C)c1cccnc1)c1ccc(N(C)C)cc1 ZINC000776101366 623377411 /nfs/dbraw/zinc/37/74/11/623377411.db2.gz XHCJYGYZOARSAF-KGLIPLIRSA-N 0 0 312.417 3.269 20 10 DGCDRN C[C@H]1CCCCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000776126395 623381668 /nfs/dbraw/zinc/38/16/68/623381668.db2.gz BXRFLACNCWDVRA-HNNXBMFYSA-N 0 0 315.461 3.401 20 10 DGCDRN CC[C@H]1[C@H](C)CCN1C(=O)NCc1ccc(N(C)C)cc1C ZINC000776149619 623383123 /nfs/dbraw/zinc/38/31/23/623383123.db2.gz ISGICXBRGBHHDO-DYVFJYSZSA-N 0 0 303.450 3.391 20 10 DGCDRN CCOC(=O)c1ccc(CNCc2ccc(OC)c(C)c2)o1 ZINC000776153905 623383811 /nfs/dbraw/zinc/38/38/11/623383811.db2.gz IUROUAQLXCZTBO-UHFFFAOYSA-N 0 0 303.358 3.063 20 10 DGCDRN CC1(C)[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])[C@@H]2CCCO[C@H]21 ZINC000776223538 623399465 /nfs/dbraw/zinc/39/94/65/623399465.db2.gz JJGPEYWKCSFTOZ-NILFDRSVSA-N 0 0 313.800 3.478 20 10 DGCDRN CC(=O)Nc1ccccc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776222401 623399656 /nfs/dbraw/zinc/39/96/56/623399656.db2.gz LAFSBHYFEHKSIN-UHFFFAOYSA-N 0 0 304.777 3.294 20 10 DGCDRN COC1CCC(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000776232009 623400346 /nfs/dbraw/zinc/40/03/46/623400346.db2.gz NJHBPEVMBHWBKR-UHFFFAOYSA-N 0 0 301.789 3.480 20 10 DGCDRN CCCCN(CCOC)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776244117 623400775 /nfs/dbraw/zinc/40/07/75/623400775.db2.gz FIBWNDRZMNAJOK-OAHLLOKOSA-N 0 0 321.465 3.272 20 10 DGCDRN CO[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000776240411 623400961 /nfs/dbraw/zinc/40/09/61/623400961.db2.gz VNXCJMHPXKSCNV-WMLDXEAASA-N 0 0 319.449 3.024 20 10 DGCDRN CO[C@@H](C)CN(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000776237579 623401035 /nfs/dbraw/zinc/40/10/35/623401035.db2.gz CFQYQBUFBWKKNL-GJZGRUSLSA-N 0 0 321.465 3.269 20 10 DGCDRN CN1Cc2ccccc2[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000776254414 623401894 /nfs/dbraw/zinc/40/18/94/623401894.db2.gz UZXXDLAYVWWIHG-MRXNPFEDSA-N 0 0 320.795 3.461 20 10 DGCDRN C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776253327 623401978 /nfs/dbraw/zinc/40/19/78/623401978.db2.gz MFVUBJUKLSMPKG-NOZJJQNGSA-N 0 0 313.756 3.380 20 10 DGCDRN C[C@@H]1CCCC[C@H]1OCCNC(=O)N1Cc2cccc(O)c2C1 ZINC000875081664 623414156 /nfs/dbraw/zinc/41/41/56/623414156.db2.gz KBXMECSMHYCWLU-CXAGYDPISA-N 0 0 318.417 3.013 20 10 DGCDRN O=C(N[C@@H]1CCc2c1cccc2Cl)c1cccc(O)c1O ZINC000776338122 623414450 /nfs/dbraw/zinc/41/44/50/623414450.db2.gz FHQFDQSWRQJCIO-CYBMUJFWSA-N 0 0 303.745 3.169 20 10 DGCDRN CC1(NC(=O)NCc2ccc(N3CCCC3)cc2)CC(F)(F)C1 ZINC000875098871 623416528 /nfs/dbraw/zinc/41/65/28/623416528.db2.gz CKNQFFVKQFXUDS-UHFFFAOYSA-N 0 0 323.387 3.274 20 10 DGCDRN C[C@@H]1C[C@H]1c1ccc(CNC(=O)N2Cc3cccc(O)c3C2)o1 ZINC000875117984 623418159 /nfs/dbraw/zinc/41/81/59/623418159.db2.gz PDCYXGADSQPTHF-BXUZGUMPSA-N 0 0 312.369 3.334 20 10 DGCDRN C[C@@H](CNC(=O)N1Cc2cccc(O)c2C1)c1ccc(F)cc1 ZINC000875149522 623422193 /nfs/dbraw/zinc/42/21/93/623422193.db2.gz XKTMNEIXKNZVLW-LBPRGKRZSA-N 0 0 314.360 3.360 20 10 DGCDRN O=C(N[C@H]1C[C@@H]1c1cccc(F)c1)N1Cc2cccc(O)c2C1 ZINC000875173818 623424329 /nfs/dbraw/zinc/42/43/29/623424329.db2.gz WRNLWPNJNNNNMS-ZBFHGGJFSA-N 0 0 312.344 3.113 20 10 DGCDRN C[C@@H]1CC[C@@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000776474965 623434164 /nfs/dbraw/zinc/43/41/64/623434164.db2.gz JZALLIBCZKQDHF-BFYDXBDKSA-N 0 0 317.429 3.336 20 10 DGCDRN O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)N1Cc2cccc(O)c2C1 ZINC000875315456 623436674 /nfs/dbraw/zinc/43/66/74/623436674.db2.gz UBTNALRASDOZDJ-VNHYZAJKSA-N 0 0 300.402 3.386 20 10 DGCDRN CC(C)OC1CCC(NC(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC000875413204 623447730 /nfs/dbraw/zinc/44/77/30/623447730.db2.gz NJQNIIIGNASEBA-NFOMZHRRSA-N 0 0 320.433 3.489 20 10 DGCDRN CC(C)(C)[C@@H]1C[C@@H](NC(=O)N2Cc3cccc(O)c3C2)CCO1 ZINC000875439636 623450941 /nfs/dbraw/zinc/45/09/41/623450941.db2.gz ZDRGXVFLMWUVEJ-BBRMVZONSA-N 0 0 318.417 3.011 20 10 DGCDRN COc1cc(C)c(S(=O)(=O)Nc2ccc(O)c(C)c2)c(C)c1 ZINC000776747314 623458904 /nfs/dbraw/zinc/45/89/04/623458904.db2.gz AJHIKVFSQAZFQG-UHFFFAOYSA-N 0 0 321.398 3.127 20 10 DGCDRN CCC[C@@](C)(O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000125514050 623471916 /nfs/dbraw/zinc/47/19/16/623471916.db2.gz LIEUPOILEQGFBW-LJQANCHMSA-N 0 0 318.461 3.090 20 10 DGCDRN C[C@H](CNC(=O)N1Cc2cccc(O)c2C1)CC(F)(F)F ZINC000875668225 623477746 /nfs/dbraw/zinc/47/77/46/623477746.db2.gz WXCRJNAAEONNNN-VIFPVBQESA-N 0 0 302.296 3.006 20 10 DGCDRN CC[C@@](C)(CO)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000125527019 623479469 /nfs/dbraw/zinc/47/94/69/623479469.db2.gz VRNPTITWUGQIOB-SFHVURJKSA-N 0 0 318.392 3.124 20 10 DGCDRN O=C(NCC[C@@H]1CC1(Cl)Cl)N1Cc2cccc(O)c2C1 ZINC000875758703 623489568 /nfs/dbraw/zinc/48/95/68/623489568.db2.gz PDKOFRSXGPXJCS-SNVBAGLBSA-N 0 0 315.200 3.001 20 10 DGCDRN CCCC1(CNC(=O)N[C@H](C)c2cc(OC)ccc2O)CC1 ZINC000125579597 623490693 /nfs/dbraw/zinc/49/06/93/623490693.db2.gz XPDKMQPRYBNBPL-GFCCVEGCSA-N 0 0 306.406 3.341 20 10 DGCDRN CN(C)c1ccc(CN[C@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000125582025 623491622 /nfs/dbraw/zinc/49/16/22/623491622.db2.gz FSKSAKNESNZZBC-SFHVURJKSA-N 0 0 306.413 3.355 20 10 DGCDRN Cc1scc(CNC(=O)N(C)Cc2ccccc2O)c1C ZINC000875980571 623518969 /nfs/dbraw/zinc/51/89/69/623518969.db2.gz AWIOVNRCIKNEIZ-UHFFFAOYSA-N 0 0 304.415 3.412 20 10 DGCDRN COc1cc(N(C)Cc2ccc(F)cc2)cc(OC)c1OC ZINC000125693080 623521202 /nfs/dbraw/zinc/52/12/02/623521202.db2.gz OKWNJDKBYCBIOY-UHFFFAOYSA-N 0 0 305.349 3.488 20 10 DGCDRN Cc1ncc([C@H](C)NC(=O)N(C)Cc2ccccc2O)s1 ZINC000876014569 623524117 /nfs/dbraw/zinc/52/41/17/623524117.db2.gz KZIKQUHTTCHTHC-JTQLQIEISA-N 0 0 305.403 3.060 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1ccc(-c2ncco2)cc1 ZINC000777609348 623548289 /nfs/dbraw/zinc/54/82/89/623548289.db2.gz NRHWEKZVAVVROX-UHFFFAOYSA-N 0 0 309.325 3.369 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@H]2CCSC2)c1 ZINC000790486275 625660801 /nfs/dbraw/zinc/66/08/01/625660801.db2.gz UXEKCZRKJZEYPB-SNVBAGLBSA-N 0 0 316.264 3.306 20 10 DGCDRN CCCCN(C(=O)/C=C/c1cnccn1)c1ccc(Cl)nc1 ZINC000876317129 623583317 /nfs/dbraw/zinc/58/33/17/623583317.db2.gz YGNCOSGQRFUZMY-QPJJXVBHSA-N 0 0 316.792 3.372 20 10 DGCDRN C[C@H](NC(=O)N1CCSCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000790503798 625662218 /nfs/dbraw/zinc/66/22/18/625662218.db2.gz XRQPSWXAZSEPPJ-KBPBESRZSA-N 0 0 321.490 3.351 20 10 DGCDRN C[C@@H](NC(=O)N1CCSCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000790503803 625662364 /nfs/dbraw/zinc/66/23/64/625662364.db2.gz XRQPSWXAZSEPPJ-UONOGXRCSA-N 0 0 321.490 3.351 20 10 DGCDRN Cc1cc(C(=O)Nc2ccc(N)cc2)c(C)n1[C@@H]1CCCOC1 ZINC000876503760 623629096 /nfs/dbraw/zinc/62/90/96/623629096.db2.gz FATVWBSSRLKUJB-MRXNPFEDSA-N 0 0 313.401 3.291 20 10 DGCDRN Cc1cncc(/C=C/C(=O)N2CCN(C3CC3)c3ccccc32)c1 ZINC000778258066 623633273 /nfs/dbraw/zinc/63/32/73/623633273.db2.gz FXLYYSHKBOIOJM-RMKNXTFCSA-N 0 0 319.408 3.419 20 10 DGCDRN C[C@H](Nc1ccc(-c2ccnn2C)nn1)c1ccc(N(C)C)cc1 ZINC000882203081 625666133 /nfs/dbraw/zinc/66/61/33/625666133.db2.gz NLMNJKLDKLUPTK-ZDUSSCGKSA-N 0 0 322.416 3.116 20 10 DGCDRN C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1[O-] ZINC000876619462 623661132 /nfs/dbraw/zinc/66/11/32/623661132.db2.gz YGYVUBUXLSNNME-GFCCVEGCSA-N 0 0 307.340 3.053 20 10 DGCDRN CCC1(CC)CN(CN(C)Cc2ccc(N(C)C)cc2)C(=O)O1 ZINC000778568057 623670814 /nfs/dbraw/zinc/67/08/14/623670814.db2.gz WNAWWXUCVDLVBL-UHFFFAOYSA-N 0 0 319.449 3.153 20 10 DGCDRN CNc1cccc(C(=O)NCCCSc2nccs2)c1 ZINC000876663022 623674246 /nfs/dbraw/zinc/67/42/46/623674246.db2.gz VRZSKAMQNDJQFI-UHFFFAOYSA-N 0 0 307.444 3.097 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000126145013 623698141 /nfs/dbraw/zinc/69/81/41/623698141.db2.gz SUJZKFMHJQYPNZ-UHFFFAOYSA-N 0 0 320.732 3.226 20 10 DGCDRN CCSc1ccccc1C(=O)NCc1ccc(O)c(O)c1 ZINC000778914350 623711359 /nfs/dbraw/zinc/71/13/59/623711359.db2.gz ITQKCESEXUNQMZ-UHFFFAOYSA-N 0 0 303.383 3.140 20 10 DGCDRN Cc1cccc(O)c1CNc1cccc(-c2nnnn2C2CC2)c1 ZINC000876839226 623725270 /nfs/dbraw/zinc/72/52/70/623725270.db2.gz RNQGNZXMZHKCBS-UHFFFAOYSA-N 0 0 321.384 3.301 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OCc1cnns1 ZINC000779251377 623747328 /nfs/dbraw/zinc/74/73/28/623747328.db2.gz FDGWAXLUROEKMM-UHFFFAOYSA-N 0 0 319.411 3.364 20 10 DGCDRN Cn1cc(/C=C\C(=O)N(Cc2ccccc2)c2ccncc2)cn1 ZINC000779363447 623763210 /nfs/dbraw/zinc/76/32/10/623763210.db2.gz IXLUHHHFLLBKTQ-FPLPWBNLSA-N 0 0 318.380 3.062 20 10 DGCDRN Nc1ccc(Cc2nc(C(=O)N(C3CC3)C3CC3)cs2)cc1 ZINC000877023692 623768239 /nfs/dbraw/zinc/76/82/39/623768239.db2.gz ARWMKRSJROFKKU-UHFFFAOYSA-N 0 0 313.426 3.083 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000779486384 623774160 /nfs/dbraw/zinc/77/41/60/623774160.db2.gz WQDCPFNMKZABGD-VIGJRRFGSA-N 0 0 301.386 3.196 20 10 DGCDRN CCC1CCC(CNC(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000779480360 623774212 /nfs/dbraw/zinc/77/42/12/623774212.db2.gz SPPJWEOZBWAPPV-NTMALXAHSA-N 0 0 303.402 3.444 20 10 DGCDRN O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000779488680 623774223 /nfs/dbraw/zinc/77/42/23/623774223.db2.gz HSCWSGCYZDTPCD-KRXBUXKQSA-N 0 0 321.336 3.140 20 10 DGCDRN Cc1ccc2c(c1)CC[C@@H]2NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779499610 623775310 /nfs/dbraw/zinc/77/53/10/623775310.db2.gz NPUHDFFYRGQPBQ-SGNXQUTQSA-N 0 0 309.365 3.223 20 10 DGCDRN COc1ccc(Cl)c(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000779503375 623776011 /nfs/dbraw/zinc/77/60/11/623776011.db2.gz NALKZZIWGFRKLN-XVNBXDOJSA-N 0 0 319.744 3.412 20 10 DGCDRN CC(C)C1CCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000779530832 623777498 /nfs/dbraw/zinc/77/74/98/623777498.db2.gz ATXZCDFQZOCIBG-ONNFQVAWSA-N 0 0 303.402 3.442 20 10 DGCDRN COc1c(F)cc(F)cc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779533006 623777608 /nfs/dbraw/zinc/77/76/08/623777608.db2.gz VJMYVQPOWAAQEK-HYXAFXHYSA-N 0 0 321.279 3.037 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N(CC(F)F)CC1CCC1 ZINC000779539718 623777932 /nfs/dbraw/zinc/77/79/32/623777932.db2.gz KDALKWGHRITOLP-ALCCZGGFSA-N 0 0 311.328 3.005 20 10 DGCDRN CCC(CC)[C@@H](CCNC(=O)/C=C/c1ccc(O)c(O)c1)OC ZINC000779535976 623778395 /nfs/dbraw/zinc/77/83/95/623778395.db2.gz GHGOJVLBGUQDIK-UGAXZCSASA-N 0 0 321.417 3.069 20 10 DGCDRN Cc1cc(NC(=O)NCc2ccc(N(C)C)cc2)cc2n[nH]cc21 ZINC000779623928 623782755 /nfs/dbraw/zinc/78/27/55/623782755.db2.gz XLUGSJSWWAPGDU-UHFFFAOYSA-N 0 0 323.400 3.259 20 10 DGCDRN Cc1ccc(C2(C(=O)N(C)c3ccc(N)cc3)CCOCC2)cc1 ZINC000877078468 623785930 /nfs/dbraw/zinc/78/59/30/623785930.db2.gz QPUOZMJURRRGDT-UHFFFAOYSA-N 0 0 324.424 3.288 20 10 DGCDRN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N(C)c2ccc(N)cc2)cc1 ZINC000877080965 623786708 /nfs/dbraw/zinc/78/67/08/623786708.db2.gz SFTMLRUQGQHHEF-SJCJKPOMSA-N 0 0 323.396 3.140 20 10 DGCDRN C[C@@H](O)C[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])c1ccccc1 ZINC000877093583 623789726 /nfs/dbraw/zinc/78/97/26/623789726.db2.gz JYNJSBMSAXFILB-DOMZBBRYSA-N 0 0 321.367 3.315 20 10 DGCDRN C[C@H](C[C@@H](O)c1cccs1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877127766 623797647 /nfs/dbraw/zinc/79/76/47/623797647.db2.gz ATRYZKNHHGHWQO-BXKDBHETSA-N 0 0 313.369 3.334 20 10 DGCDRN CC[C@](C)(NC(=O)Cc1ccc(N)cc1)c1ccc(F)cc1 ZINC000877132965 623799823 /nfs/dbraw/zinc/79/98/23/623799823.db2.gz SEULLCLQDMVOTQ-SFHVURJKSA-N 0 0 300.377 3.392 20 10 DGCDRN Cc1ccc(CNc2ccccc2N2CCC(O)CC2)c(O)c1 ZINC000877166811 623813771 /nfs/dbraw/zinc/81/37/71/623813771.db2.gz ZHHKCQFHWKONOG-UHFFFAOYSA-N 0 0 312.413 3.274 20 10 DGCDRN COc1cccc2c1OCCC[C@H]2NC(=O)C1=CC(=O)CS1 ZINC000882260362 625678024 /nfs/dbraw/zinc/67/80/24/625678024.db2.gz GEQCPOJQTVJPKL-GFCCVEGCSA-N 0 0 319.382 3.106 20 10 DGCDRN CC[C@H](C)[C@H](CN(C)c1cc(OC)c(OC)c(OC)c1)OC ZINC000877179990 623819419 /nfs/dbraw/zinc/81/94/19/623819419.db2.gz MILMPWWKOVJASG-LRDDRELGSA-N 0 0 311.422 3.210 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1cccn(C(F)F)c1=O ZINC000877179879 623819491 /nfs/dbraw/zinc/81/94/91/623819491.db2.gz APIUKVGHNQLPAS-UHFFFAOYSA-N 0 0 320.339 3.205 20 10 DGCDRN CC[C@@H](C)[C@@H](CN(C)c1cc(OC)c(OC)c(OC)c1)OC ZINC000877179991 623819678 /nfs/dbraw/zinc/81/96/78/623819678.db2.gz MILMPWWKOVJASG-MLGOLLRUSA-N 0 0 311.422 3.210 20 10 DGCDRN COC(=O)[C@H](NCc1ccc(C)cc1O)c1ccc(F)c(C)c1 ZINC000877427353 623876536 /nfs/dbraw/zinc/87/65/36/623876536.db2.gz JVJYUCCSWLCSEN-QGZVFWFLSA-N 0 0 317.360 3.152 20 10 DGCDRN CCSc1cc(C[NH2+]Cc2ccc(F)c(F)c2[O-])ccn1 ZINC000877438800 623881854 /nfs/dbraw/zinc/88/18/54/623881854.db2.gz QYKGLDGWKSMOKZ-UHFFFAOYSA-N 0 0 310.369 3.467 20 10 DGCDRN Cc1ccc(N2CCOCC2)cc1NCc1c(C)cccc1O ZINC000877494222 623910947 /nfs/dbraw/zinc/91/09/47/623910947.db2.gz MJBQZYYGAOSNGV-UHFFFAOYSA-N 0 0 312.413 3.458 20 10 DGCDRN Cc1ccc(CNc2cc(N3CCOCC3)ccc2C)c(O)c1 ZINC000877494116 623910962 /nfs/dbraw/zinc/91/09/62/623910962.db2.gz KWDDMQIUFHWZMO-UHFFFAOYSA-N 0 0 312.413 3.458 20 10 DGCDRN Cc1n[nH]cc1C1CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877507644 623917546 /nfs/dbraw/zinc/91/75/46/623917546.db2.gz JGTWTPOMJWTQAV-UHFFFAOYSA-N 0 0 307.344 3.082 20 10 DGCDRN Cc1ccc([C@H](O)[C@@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])cc1 ZINC000877516910 623919724 /nfs/dbraw/zinc/91/97/24/623919724.db2.gz GJBFUOAPZMRJOU-BDJLRTHQSA-N 0 0 307.340 3.191 20 10 DGCDRN C[C@@H]([NH2+]C[C@@](C)(O)C1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000790703840 625688109 /nfs/dbraw/zinc/68/81/09/625688109.db2.gz UQIUGPIBIKKEMV-SJKOYZFVSA-N 0 0 322.405 3.282 20 10 DGCDRN CCOc1ccc(CNc2ccc(OC3COC3)cc2)c(O)c1 ZINC000780580798 623955364 /nfs/dbraw/zinc/95/53/64/623955364.db2.gz MRXLWAHKOBHLLA-UHFFFAOYSA-N 0 0 315.369 3.181 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)ccc(F)c1F ZINC000877599456 623957674 /nfs/dbraw/zinc/95/76/74/623957674.db2.gz AITYFGPXMGYZIF-KRWDZBQOSA-N 0 0 323.383 3.452 20 10 DGCDRN COC(=O)c1ccccc1CN(C)c1ccc(OC)c(F)c1 ZINC000780779544 623982385 /nfs/dbraw/zinc/98/23/85/623982385.db2.gz KZVCDAPPRGUBFU-UHFFFAOYSA-N 0 0 303.333 3.257 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccc(-c3c[nH]cn3)cc2)c(O)c1O ZINC000780859554 623990664 /nfs/dbraw/zinc/99/06/64/623990664.db2.gz GCJYEDTYMSPJCY-UHFFFAOYSA-N 0 0 309.325 3.049 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)[C@H]1CCCOC1 ZINC000780861661 623990966 /nfs/dbraw/zinc/99/09/66/623990966.db2.gz UFSMYTKYDOVCSI-ZBFHGGJFSA-N 0 0 320.433 3.129 20 10 DGCDRN Cc1ccc(C(=O)N[C@H](c2cccs2)C2CC2)c(O)c1O ZINC000780863568 623991769 /nfs/dbraw/zinc/99/17/69/623991769.db2.gz RUZGRMUQEXCGNL-ZDUSSCGKSA-N 0 0 303.383 3.349 20 10 DGCDRN CC[C@H](NC(=O)c1ccc(C)c(O)c1O)c1ccccc1OC ZINC000780883432 623993263 /nfs/dbraw/zinc/99/32/63/623993263.db2.gz RWTQKJYNBBMMPF-AWEZNQCLSA-N 0 0 315.369 3.296 20 10 DGCDRN CC(C)n1cc2cc(NC(=O)c3cccc(O)c3O)ccc2n1 ZINC000790730457 625690942 /nfs/dbraw/zinc/69/09/42/625690942.db2.gz QFBFPGIEEYNTLC-UHFFFAOYSA-N 0 0 311.341 3.281 20 10 DGCDRN Clc1cnc(Sc2nnc(N3CCCC3)s2)s1 ZINC000780912562 623997045 /nfs/dbraw/zinc/99/70/45/623997045.db2.gz ZCFIKESICXCQCT-UHFFFAOYSA-N 0 0 304.853 3.399 20 10 DGCDRN Cc1ccc(C(=O)Nc2cc(-c3ccccc3C)[nH]n2)c(O)c1O ZINC000781012877 624010000 /nfs/dbraw/zinc/01/00/00/624010000.db2.gz IPHNBTYVXOGBTF-UHFFFAOYSA-N 0 0 323.352 3.357 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000877739352 624011921 /nfs/dbraw/zinc/01/19/21/624011921.db2.gz RUIMFLLEYRWRAT-MWLCHTKSSA-N 0 0 301.814 3.370 20 10 DGCDRN CC(=O)[C@@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1(C)C ZINC000781035663 624012344 /nfs/dbraw/zinc/01/23/44/624012344.db2.gz GMDOGDQEQNLABP-AFAVFJNCSA-N 0 0 316.445 3.181 20 10 DGCDRN Cc1ccc(C(=O)N2C[C@@H](C(F)(F)F)CC[C@@H]2C)c(O)c1O ZINC000781048273 624013812 /nfs/dbraw/zinc/01/38/12/624013812.db2.gz HHLIHKWVVUQLKO-UWVGGRQHSA-N 0 0 317.307 3.209 20 10 DGCDRN CN(C)c1ccc(CN2CCO[C@@H](C(F)(F)F)CC2)cc1F ZINC000877820784 624051648 /nfs/dbraw/zinc/05/16/48/624051648.db2.gz SLGJOZXMLCZQOO-CQSZACIVSA-N 0 0 320.330 3.045 20 10 DGCDRN Cc1cc(O)c([C@H]2NC(=O)c3ccccc3N2C)cc1Cl ZINC000877842528 624065885 /nfs/dbraw/zinc/06/58/85/624065885.db2.gz ICMDFGALOVNOQJ-HNNXBMFYSA-N 0 0 302.761 3.232 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2scc(C)c2Cl)c1 ZINC000790787615 625697680 /nfs/dbraw/zinc/69/76/80/625697680.db2.gz JSPRUYDNENKGQS-UHFFFAOYSA-N 0 0 311.790 3.354 20 10 DGCDRN Cc1cccc2c1C(=O)N[C@H](c1cc(Cl)c(F)cc1O)N2 ZINC000877848598 624068210 /nfs/dbraw/zinc/06/82/10/624068210.db2.gz TYOKDPBDQIDAIB-CQSZACIVSA-N 0 0 306.724 3.347 20 10 DGCDRN Cc1cc(N(C)C)ccc1[C@@H]1NC(C)(C)C(=O)N1c1ccccc1 ZINC000877857429 624071510 /nfs/dbraw/zinc/07/15/10/624071510.db2.gz RAKXZIYVUKIWRG-GOSISDBHSA-N 0 0 323.440 3.475 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)C2(OC)CCC2)cc1 ZINC000781571975 624095331 /nfs/dbraw/zinc/09/53/31/624095331.db2.gz MOVIHUFZNHRJEI-UHFFFAOYSA-N 0 0 304.434 3.060 20 10 DGCDRN CCC[C@@](C)(O)C[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000781630962 624109967 /nfs/dbraw/zinc/10/99/67/624109967.db2.gz YRXBRXXGQMZTOA-CQSZACIVSA-N 0 0 316.239 3.104 20 10 DGCDRN COc1ncccc1NCc1cc(C)cc(Br)c1O ZINC000781634860 624111716 /nfs/dbraw/zinc/11/17/16/624111716.db2.gz BLBSRALBIVLGIU-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN CC(C)(C)c1cccc2c1OCCN2C(=O)/C=C/c1cnccn1 ZINC000781642374 624113388 /nfs/dbraw/zinc/11/33/88/624113388.db2.gz GULMOLLQQMXOLF-BQYQJAHWSA-N 0 0 323.396 3.213 20 10 DGCDRN C[C@@H](NC(=O)C1=CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000126862383 624144127 /nfs/dbraw/zinc/14/41/27/624144127.db2.gz UJUGBVIRFROIGA-OAHLLOKOSA-N 0 0 314.429 3.201 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2csc(Cl)n2)c1 ZINC000781924265 624171627 /nfs/dbraw/zinc/17/16/27/624171627.db2.gz AUTSTNMAIKSEAU-SSDOTTSWSA-N 0 0 312.778 3.002 20 10 DGCDRN COc1cc(C)c(CN(C)c2ccc(OC)c(F)c2)c(C)n1 ZINC000781922364 624171828 /nfs/dbraw/zinc/17/18/28/624171828.db2.gz XVANYGASWGWYSJ-UHFFFAOYSA-N 0 0 304.365 3.491 20 10 DGCDRN CCN(Cc1cn(C)nn1)Cc1cc(-c2ccccc2)ccc1O ZINC000781928784 624173315 /nfs/dbraw/zinc/17/33/15/624173315.db2.gz DLPWVUASWRTVRY-UHFFFAOYSA-N 0 0 322.412 3.210 20 10 DGCDRN CCCN(Cc1nc(CC2CC2)no1)Cc1ccccc1O ZINC000878151381 624190252 /nfs/dbraw/zinc/19/02/52/624190252.db2.gz PVNBPPHLSCDZDI-UHFFFAOYSA-N 0 0 301.390 3.140 20 10 DGCDRN Cc1ccc(F)cc1COC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000782296497 624235205 /nfs/dbraw/zinc/23/52/05/624235205.db2.gz SCEYHUPKQBEZGZ-QPJJXVBHSA-N 0 0 302.301 3.302 20 10 DGCDRN Fc1ccc([C@H](NCc2ccc3c(c2)CCO3)c2ncc[nH]2)cc1 ZINC000783236870 624328313 /nfs/dbraw/zinc/32/83/13/624328313.db2.gz KGRQGNYTMKFYFQ-SFHVURJKSA-N 0 0 323.371 3.363 20 10 DGCDRN COc1cnccc1[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000783331288 624338331 /nfs/dbraw/zinc/33/83/31/624338331.db2.gz PJKFWSUUGNSRRU-GHMZBOCLSA-N 0 0 317.345 3.116 20 10 DGCDRN COc1ccc(N(C)C[C@H]2CCC3(CCOCC3)CO2)cc1 ZINC000878801089 624362650 /nfs/dbraw/zinc/36/26/50/624362650.db2.gz FYBQGRUWAFWMGC-QGZVFWFLSA-N 0 0 305.418 3.107 20 10 DGCDRN Cc1ccc(C[N@H+](CCO)Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC000783602130 624373393 /nfs/dbraw/zinc/37/33/93/624373393.db2.gz AIAQQRHJGGFULV-UHFFFAOYSA-N 0 0 323.795 3.488 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](O)C1CCCCC1 ZINC000783666095 624380968 /nfs/dbraw/zinc/38/09/68/624380968.db2.gz GQXPMBWNYXIDJT-QGZVFWFLSA-N 0 0 305.418 3.072 20 10 DGCDRN C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000790934285 625717766 /nfs/dbraw/zinc/71/77/66/625717766.db2.gz JTQPVNNUOFFOIO-MNOVXSKESA-N 0 0 301.789 3.310 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)N(CC(F)(F)F)c1ccccn1 ZINC000783928934 624409744 /nfs/dbraw/zinc/40/97/44/624409744.db2.gz UXSBFTAORVTUNI-AATRIKPKSA-N 0 0 321.302 3.394 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CC[C@@H](C(C)(C)C)C2)cc1 ZINC000783939540 624410795 /nfs/dbraw/zinc/41/07/95/624410795.db2.gz MYZOXVCKARRTPK-OAHLLOKOSA-N 0 0 303.450 3.330 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)N1CCN(C)c2cc(F)ccc21 ZINC000784057184 624429928 /nfs/dbraw/zinc/42/99/28/624429928.db2.gz ZCOWXXUEEMSZCL-ZZXKWVIFSA-N 0 0 311.360 3.025 20 10 DGCDRN CCOc1ccc(N(Cc2ccn(C)c(=O)c2)CC2CC2)cc1 ZINC000879120020 624430892 /nfs/dbraw/zinc/43/08/92/624430892.db2.gz WNGJLPWANQIVJD-UHFFFAOYSA-N 0 0 312.413 3.201 20 10 DGCDRN CCOc1ccc(N(CC2CC2)C[C@H]2CCNC(=O)CC2)cc1 ZINC000879117460 624430971 /nfs/dbraw/zinc/43/09/71/624430971.db2.gz SNGSOYLFGVWLHB-MRXNPFEDSA-N 0 0 316.445 3.218 20 10 DGCDRN CCOc1ccc(N(C[C@H](OC)[C@@H]2CCOC2)CC2CC2)cc1 ZINC000879117061 624431268 /nfs/dbraw/zinc/43/12/68/624431268.db2.gz IJURXKFFRCBSCJ-APWZRJJASA-N 0 0 319.445 3.353 20 10 DGCDRN CC[C@H](C(=O)NCc1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000127534935 624436957 /nfs/dbraw/zinc/43/69/57/624436957.db2.gz LXDZFXLLBAJKEL-AWEZNQCLSA-N 0 0 303.333 3.047 20 10 DGCDRN COc1ccc(N(C)CCCC(=O)OC(C)(C)C)cc1OC ZINC000784139970 624443205 /nfs/dbraw/zinc/44/32/05/624443205.db2.gz ZTGCFVSSTYADSQ-UHFFFAOYSA-N 0 0 309.406 3.262 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CC[C@H](C(C)(C)C)C2)cc1OC ZINC000784227877 624458287 /nfs/dbraw/zinc/45/82/87/624458287.db2.gz XYXFHINSQPTDLI-NSHDSACASA-N 0 0 308.378 3.484 20 10 DGCDRN COc1cccc([C@H](C)OC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000784285803 624480873 /nfs/dbraw/zinc/48/08/73/624480873.db2.gz DSHXJAMGVRABTD-UPZNUWHASA-N 0 0 314.337 3.424 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OC[C@@H]1CCC2(CCCC2)O1 ZINC000784286760 624482506 /nfs/dbraw/zinc/48/25/06/624482506.db2.gz NCOIGHFRWZYGPO-YVZNUBBCSA-N 0 0 318.369 3.146 20 10 DGCDRN CC1(C)CCC[C@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)C1 ZINC000784365323 624511483 /nfs/dbraw/zinc/51/14/83/624511483.db2.gz JYCFAEZTOFHFPD-LBPRGKRZSA-N 0 0 306.358 3.040 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(CCO)C2CCC2)cc1 ZINC000784700359 624574282 /nfs/dbraw/zinc/57/42/82/624574282.db2.gz SJUSVPZTJSZHNE-UHFFFAOYSA-N 0 0 312.413 3.081 20 10 DGCDRN COC(=O)c1ccc(OC)c(C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879650174 624623100 /nfs/dbraw/zinc/62/31/00/624623100.db2.gz NCZGWCUBFOCYEL-GFCCVEGCSA-N 0 0 315.369 3.038 20 10 DGCDRN COc1ccc(NCc2c(O)cccc2Cl)cc1NC(N)=O ZINC000785565567 624688494 /nfs/dbraw/zinc/68/84/94/624688494.db2.gz ZDBDCGNLSKDZND-UHFFFAOYSA-N 0 0 321.764 3.157 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCc2cccc3cc[nH]c32)cc1 ZINC000786176206 624820719 /nfs/dbraw/zinc/82/07/19/624820719.db2.gz YBQDXEBAOPCKNH-UHFFFAOYSA-N 0 0 322.412 3.233 20 10 DGCDRN O=C(COC(=O)c1ccc2c(c1)CCC=C2)c1ccc(O)c(O)c1 ZINC000786542916 624916679 /nfs/dbraw/zinc/91/66/79/624916679.db2.gz QVQNXYYTSBPPPE-UHFFFAOYSA-N 0 0 324.332 3.097 20 10 DGCDRN Cc1cccc(C[C@H](CO)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000786574817 624923732 /nfs/dbraw/zinc/92/37/32/624923732.db2.gz GHFLOTRIPIAMNS-IUODEOHRSA-N 0 0 321.367 3.233 20 10 DGCDRN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc(Cl)cc(C)c1O ZINC000786578119 624924932 /nfs/dbraw/zinc/92/49/32/624924932.db2.gz HUNXIVUBPUAPET-CQDKDKBSSA-N 0 0 323.820 3.128 20 10 DGCDRN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cc(Cl)cc(C)c1O ZINC000786578122 624925321 /nfs/dbraw/zinc/92/53/21/624925321.db2.gz HUNXIVUBPUAPET-UGFHNGPFSA-N 0 0 323.820 3.128 20 10 DGCDRN COc1cc(OC)cc(N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000786578762 624925452 /nfs/dbraw/zinc/92/54/52/624925452.db2.gz IMZMUSLZTFFZJY-UHFFFAOYSA-N 0 0 300.402 3.406 20 10 DGCDRN Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000786584826 624926323 /nfs/dbraw/zinc/92/63/23/624926323.db2.gz UXAGJHWVQLOEAK-DOMZBBRYSA-N 0 0 321.367 3.233 20 10 DGCDRN CC[C@H](N[C@@H](C)c1cc(C(=O)OC)ccc1O)C(F)(F)F ZINC000786972325 624968818 /nfs/dbraw/zinc/96/88/18/624968818.db2.gz CCVPORRNROFWGX-UFBFGSQYSA-N 0 0 305.296 3.170 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(Cl)cc1F ZINC000128506564 624980939 /nfs/dbraw/zinc/98/09/39/624980939.db2.gz WTBZQLWNEQGXPI-UHFFFAOYSA-N 0 0 324.739 3.255 20 10 DGCDRN CCc1ccc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)c(O)c1 ZINC000787130932 624982265 /nfs/dbraw/zinc/98/22/65/624982265.db2.gz CSLVMMFQSZHRSE-NSHDSACASA-N 0 0 315.369 3.160 20 10 DGCDRN Oc1ccc(-c2ccccc2)cc1CN1C[C@@H](O)CC(F)(F)C1 ZINC000787438850 625010703 /nfs/dbraw/zinc/01/07/03/625010703.db2.gz XDATUTHWBSFJOU-INIZCTEOSA-N 0 0 319.351 3.261 20 10 DGCDRN CC(=O)C[C@H](C)NC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000128620741 625055715 /nfs/dbraw/zinc/05/57/15/625055715.db2.gz GUVFLFQJLLOZQR-ZDUSSCGKSA-N 0 0 312.413 3.500 20 10 DGCDRN COC[C@@H](NC(=O)C1=CC(=O)CS1)c1ccc(Cl)cc1 ZINC000787927414 625075370 /nfs/dbraw/zinc/07/53/70/625075370.db2.gz FIKFYKAVMCHOTO-GFCCVEGCSA-N 0 0 311.790 3.225 20 10 DGCDRN COCCN(C/C(Cl)=C/Cl)c1ccc(OC)c(OC)c1 ZINC000128752713 625197721 /nfs/dbraw/zinc/19/77/21/625197721.db2.gz IPVHEGKMUZSMPC-LUAWRHEFSA-N 0 0 320.216 3.476 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000788530341 625207564 /nfs/dbraw/zinc/20/75/64/625207564.db2.gz YKDPJYAXIORBMZ-UHFFFAOYSA-N 0 0 313.800 3.217 20 10 DGCDRN C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000788690284 625245456 /nfs/dbraw/zinc/24/54/56/625245456.db2.gz HYTKCSUDOSMQSI-RBSFLKMASA-N 0 0 303.450 3.329 20 10 DGCDRN C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000788763487 625261672 /nfs/dbraw/zinc/26/16/72/625261672.db2.gz IZICROYZVQVTHX-XXILOJSOSA-N 0 0 303.324 3.221 20 10 DGCDRN C[C@H](NC(=O)c1nc(Cl)cs1)c1ccc(N(C)C)cc1 ZINC000788767795 625262511 /nfs/dbraw/zinc/26/25/11/625262511.db2.gz AQXZVQVTXBGMDA-VIFPVBQESA-N 0 0 309.822 3.354 20 10 DGCDRN C[C@H](NC(=O)Nc1nn(C)cc1Cl)c1ccc(N(C)C)cc1 ZINC000881176513 625269990 /nfs/dbraw/zinc/26/99/90/625269990.db2.gz DKRPQKPPCNHOCZ-JTQLQIEISA-N 0 0 321.812 3.022 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000790966246 625724313 /nfs/dbraw/zinc/72/43/13/625724313.db2.gz CMIMSDNYABIGGI-CYBMUJFWSA-N 0 0 313.731 3.147 20 10 DGCDRN Cn1c(=O)oc2c1cccc2NCc1c(O)ccc(Cl)c1F ZINC000790983223 625729527 /nfs/dbraw/zinc/72/95/27/625729527.db2.gz OMSKRLFCTCKOLC-UHFFFAOYSA-N 0 0 322.723 3.242 20 10 DGCDRN Cc1ccc2c(c1)CCN(C(=O)/C=C\c1ccc(O)c(O)c1)C2 ZINC000790989111 625732524 /nfs/dbraw/zinc/73/25/24/625732524.db2.gz XXSTUVPQWKIFAR-DAXSKMNVSA-N 0 0 309.365 3.004 20 10 DGCDRN COc1ccc(N2CC[C@H](CNc3cc(C4CC4)ncn3)C2)cc1 ZINC000882480140 625737496 /nfs/dbraw/zinc/73/74/96/625737496.db2.gz NHUAOTIHUVXRHJ-CQSZACIVSA-N 0 0 324.428 3.301 20 10 DGCDRN COc1ccc(N2CC[C@H](Nc3cc(C4CC4)ncn3)C2)cc1 ZINC000882578314 625758886 /nfs/dbraw/zinc/75/88/86/625758886.db2.gz ORAMWWHEZOAEIT-AWEZNQCLSA-N 0 0 310.401 3.053 20 10 DGCDRN Cc1cc(NS(=O)(=O)[C@H]2C[C@@H]2c2cccc(F)c2)ccc1O ZINC000882709708 625794610 /nfs/dbraw/zinc/79/46/10/625794610.db2.gz UDBUCBDEHHWIKZ-ZBFHGGJFSA-N 0 0 321.373 3.138 20 10 DGCDRN Oc1c(F)cc(F)cc1CNc1ccc(N2CCCC2)cn1 ZINC000882908381 625854092 /nfs/dbraw/zinc/85/40/92/625854092.db2.gz PAEVYXJXCHFLGL-UHFFFAOYSA-N 0 0 305.328 3.278 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCCC[C@H](C2CCOCC2)C1 ZINC000882911192 625856077 /nfs/dbraw/zinc/85/60/77/625856077.db2.gz MZBFYOSCQKGLQJ-ZDUSSCGKSA-N 0 0 309.431 3.123 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H](CCCO)c1ccccc1 ZINC000883016655 625898444 /nfs/dbraw/zinc/89/84/44/625898444.db2.gz HJXIKSFUXVHFLS-INIZCTEOSA-N 0 0 307.340 3.274 20 10 DGCDRN Cn1cc([C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C(C)(C)C)cn1 ZINC000883027986 625901923 /nfs/dbraw/zinc/90/19/23/625901923.db2.gz WSAHGMUSLXRVKY-OAHLLOKOSA-N 0 0 309.360 3.281 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1cccc2c1OCCCO2 ZINC000883051202 625910355 /nfs/dbraw/zinc/91/03/55/625910355.db2.gz QWECMVNPNIJTFT-UHFFFAOYSA-N 0 0 321.323 3.122 20 10 DGCDRN CC[N@@H+]1CC[C@@H](N(C)Cc2c([O-])ccc(Cl)c2F)C[C@@H]1C ZINC000792164631 625917091 /nfs/dbraw/zinc/91/70/91/625917091.db2.gz AVSOHJBHSCFREJ-NWDGAFQWSA-N 0 0 314.832 3.489 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+](CCO)C1CCCCC1 ZINC000792161366 625917488 /nfs/dbraw/zinc/91/74/88/625917488.db2.gz FTWLCCAXNDJBLE-UHFFFAOYSA-N 0 0 301.789 3.312 20 10 DGCDRN C[C@H](C[C@@H](O)c1cccs1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883079618 625919361 /nfs/dbraw/zinc/91/93/61/625919361.db2.gz YMXXLJDSTMAOSX-NOZJJQNGSA-N 0 0 313.369 3.334 20 10 DGCDRN C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@H](C)[S@@]1=O ZINC000792192352 625923149 /nfs/dbraw/zinc/92/31/49/625923149.db2.gz NCCOALCTKZPMIG-MFKICJERSA-N 0 0 320.502 3.018 20 10 DGCDRN CC1(CCNC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000792197342 625924346 /nfs/dbraw/zinc/92/43/46/625924346.db2.gz UOYOHHPIQVHHJW-UHFFFAOYSA-N 0 0 302.418 3.260 20 10 DGCDRN CO[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])Cc1ccccc1 ZINC000883132022 625938103 /nfs/dbraw/zinc/93/81/03/625938103.db2.gz CSHIJIHAUNGCBH-OAHLLOKOSA-N 0 0 307.340 3.018 20 10 DGCDRN COCC[C@H](C)C[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000883146042 625942925 /nfs/dbraw/zinc/94/29/25/625942925.db2.gz XOKXGEIILOXMBD-VIFPVBQESA-N 0 0 320.202 3.056 20 10 DGCDRN CC[C@@H]1CCCC[C@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000796318284 626037964 /nfs/dbraw/zinc/03/79/64/626037964.db2.gz AHHXCGOWOHJBJS-DGCLKSJQSA-N 0 0 306.358 3.040 20 10 DGCDRN CNC(=O)Nc1cc(NCc2cc(C)ccc2O)ccc1F ZINC000796471745 626053337 /nfs/dbraw/zinc/05/33/37/626053337.db2.gz PODGSUROWIYTCQ-UHFFFAOYSA-N 0 0 303.337 3.203 20 10 DGCDRN COc1ccc(N(CCC(C)C)C[C@H](O)C(F)(F)F)cc1 ZINC000796502093 626056494 /nfs/dbraw/zinc/05/64/94/626056494.db2.gz AXXKRHPEWCIQEG-AWEZNQCLSA-N 0 0 305.340 3.471 20 10 DGCDRN COc1ccc(CNC(=O)NC[C@@H]2CCC[C@H](C)[C@H]2C)c(O)c1 ZINC000796629710 626067575 /nfs/dbraw/zinc/06/75/75/626067575.db2.gz IUBKJIYPCPSNPU-MJBXVCDLSA-N 0 0 320.433 3.272 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H](O)COc1ccccc1)c1ccc(F)cc1[O-] ZINC000796680637 626073306 /nfs/dbraw/zinc/07/33/06/626073306.db2.gz XJZHWQYZCNCHJB-WMLDXEAASA-N 0 0 319.376 3.012 20 10 DGCDRN CC[C@@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1[O-] ZINC000796791792 626083765 /nfs/dbraw/zinc/08/37/65/626083765.db2.gz CNCOKMSXDRZETD-CQSZACIVSA-N 0 0 324.396 3.191 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H]1CSCCS1)c1ccc(F)cc1[O-] ZINC000796792328 626083814 /nfs/dbraw/zinc/08/38/14/626083814.db2.gz GSNGEZHYDYMVES-DGCLKSJQSA-N 0 0 301.452 3.421 20 10 DGCDRN CC[C@H]([NH2+][C@H](CO)Cc1ccccc1C)c1ccc(F)cc1[O-] ZINC000796959209 626099868 /nfs/dbraw/zinc/09/98/68/626099868.db2.gz LVPHIPBKPZRZGX-WMZOPIPTSA-N 0 0 317.404 3.484 20 10 DGCDRN CC[C@H]([NH2+]CC1CCN(C(=O)OC)CC1)c1ccc(F)cc1[O-] ZINC000797089316 626111692 /nfs/dbraw/zinc/11/16/92/626111692.db2.gz CBPGYNOJELXQDH-HNNXBMFYSA-N 0 0 324.396 3.050 20 10 DGCDRN CC1=C[C@H](C)CN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000797429720 626142637 /nfs/dbraw/zinc/14/26/37/626142637.db2.gz WLGXVKFIQBATQP-HNNXBMFYSA-N 0 0 313.445 3.394 20 10 DGCDRN COc1ccc(CNC(=O)Nc2cc(C)ccc2C)c(O)c1 ZINC000797606543 626159610 /nfs/dbraw/zinc/15/96/10/626159610.db2.gz GYQWSPQNNGQKIR-UHFFFAOYSA-N 0 0 300.358 3.339 20 10 DGCDRN COc1ccc(CNC(=O)Nc2ccccc2SC)c(O)c1 ZINC000797607422 626159693 /nfs/dbraw/zinc/15/96/93/626159693.db2.gz XAGHHCSKXMUYSU-UHFFFAOYSA-N 0 0 318.398 3.444 20 10 DGCDRN CCOc1cccc(NC(=O)NCc2ccc(OC)cc2O)c1 ZINC000797617517 626160575 /nfs/dbraw/zinc/16/05/75/626160575.db2.gz YPXYCVNYZXITPT-UHFFFAOYSA-N 0 0 316.357 3.121 20 10 DGCDRN COc1ccc2c(c1)CCCN2C[C@H]1COc2ccccc2O1 ZINC000797720754 626166200 /nfs/dbraw/zinc/16/62/00/626166200.db2.gz NHFJJQDCZSKBRO-INIZCTEOSA-N 0 0 311.381 3.288 20 10 DGCDRN CCc1ccnc(CNC(=S)Nc2ccc(F)cc2F)c1 ZINC000797792827 626169441 /nfs/dbraw/zinc/16/94/41/626169441.db2.gz IPKAUEVIBZZJIE-UHFFFAOYSA-N 0 0 307.369 3.409 20 10 DGCDRN Cc1cc[nH]c1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000797931490 626181925 /nfs/dbraw/zinc/18/19/25/626181925.db2.gz IZQTVQILIDQFOS-UHFFFAOYSA-N 0 0 310.353 3.464 20 10 DGCDRN O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1cccc(O)c1O ZINC000798016963 626189593 /nfs/dbraw/zinc/18/95/93/626189593.db2.gz CVSGKEHJNVMRNW-QWHCGFSZSA-N 0 0 303.745 3.037 20 10 DGCDRN Cc1ccc(C(=O)N2CCCCc3sccc32)c(O)c1O ZINC000798047345 626191144 /nfs/dbraw/zinc/19/11/44/626191144.db2.gz SCPOTRIKUWCRRV-UHFFFAOYSA-N 0 0 303.383 3.451 20 10 DGCDRN O=C(/C=C\c1cncc(O)c1)N1CCCCc2sccc21 ZINC000798047790 626191302 /nfs/dbraw/zinc/19/13/02/626191302.db2.gz QVJDICDZDIYMGE-PLNGDYQASA-N 0 0 300.383 3.231 20 10 DGCDRN CSc1ccc(CCNC(=O)NCc2ccccc2O)cc1 ZINC000798096874 626194205 /nfs/dbraw/zinc/19/42/05/626194205.db2.gz ITOGRJYAOAAIPK-UHFFFAOYSA-N 0 0 316.426 3.156 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cccc2ncn(C)c21 ZINC000798167570 626199158 /nfs/dbraw/zinc/19/91/58/626199158.db2.gz NITSOQROUIBOKI-UHFFFAOYSA-N 0 0 323.396 3.331 20 10 DGCDRN COc1ccc(N(CC[S@](C)=O)Cc2ccccc2)cc1 ZINC000798198255 626201387 /nfs/dbraw/zinc/20/13/87/626201387.db2.gz XNLQAQKQYVQUIU-NRFANRHFSA-N 0 0 303.427 3.080 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)CC1(C)CCC1 ZINC000798224202 626203402 /nfs/dbraw/zinc/20/34/02/626203402.db2.gz AVGGDBYTGRWRKQ-UHFFFAOYSA-N 0 0 324.490 3.095 20 10 DGCDRN CN1C(=O)COc2cc(NCc3cc(Cl)ccc3O)ccc21 ZINC000798503294 626222218 /nfs/dbraw/zinc/22/22/18/626222218.db2.gz HIDMIUJMAJJBBH-UHFFFAOYSA-N 0 0 318.760 3.013 20 10 DGCDRN Cc1cc(C(=O)O[C@H](C)C(=O)C2CC2)c(C)n1-c1ccccn1 ZINC000798591798 626229983 /nfs/dbraw/zinc/22/99/83/626229983.db2.gz YFYRTKHSOQWDRB-CYBMUJFWSA-N 0 0 312.369 3.014 20 10 DGCDRN Cc1ccncc1N1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000798962772 626263309 /nfs/dbraw/zinc/26/33/09/626263309.db2.gz YZRPQXMDPCSXEX-UHFFFAOYSA-N 0 0 317.820 3.071 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCCC2CCOCC2)c1 ZINC000798980088 626264825 /nfs/dbraw/zinc/26/48/25/626264825.db2.gz DAWHAWLQRDSZQC-CYBMUJFWSA-N 0 0 321.417 3.175 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccoc2C2CC2)c1 ZINC000798981181 626264885 /nfs/dbraw/zinc/26/48/85/626264885.db2.gz KIQKTYKBWAKMPZ-JTQLQIEISA-N 0 0 301.342 3.362 20 10 DGCDRN Cc1ccccc1[C@H]1C[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000799035685 626266263 /nfs/dbraw/zinc/26/62/63/626266263.db2.gz HZFKKXGQXKDEDA-RNEQHYDGSA-N 0 0 323.392 3.482 20 10 DGCDRN CCc1nn(C)cc1/C=C1\c2cc(Cl)ccc2N(C)C1=O ZINC000799501550 626306415 /nfs/dbraw/zinc/30/64/15/626306415.db2.gz HHDYPHURXOBXOI-NTUHNPAUSA-N 0 0 301.777 3.153 20 10 DGCDRN C[C@@H](NC1(C(F)F)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000800503276 626365163 /nfs/dbraw/zinc/36/51/63/626365163.db2.gz QTZOFEDYRISKFO-LLVKDONJSA-N 0 0 314.351 3.111 20 10 DGCDRN Cc1cc([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)no1 ZINC000800502360 626365213 /nfs/dbraw/zinc/36/52/13/626365213.db2.gz AQKNIYYCGVNEIH-CABCVRRESA-N 0 0 315.417 3.231 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)o1 ZINC000839912218 626369405 /nfs/dbraw/zinc/36/94/05/626369405.db2.gz CMNRYDMMEKQRBF-ZDUSSCGKSA-N 0 0 300.402 3.323 20 10 DGCDRN Cc1ccoc1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839915856 626370489 /nfs/dbraw/zinc/37/04/89/626370489.db2.gz LVDOKCOJBHDREE-AWEZNQCLSA-N 0 0 300.402 3.323 20 10 DGCDRN Cc1ccn(C)c1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839920804 626373503 /nfs/dbraw/zinc/37/35/03/626373503.db2.gz FBOZLWSDTXEEAQ-HNNXBMFYSA-N 0 0 313.445 3.069 20 10 DGCDRN CSCC(C)(C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839921015 626373529 /nfs/dbraw/zinc/37/35/29/626373529.db2.gz GFZKMSBRKPUXEG-CQSZACIVSA-N 0 0 322.518 3.497 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC000839921017 626373746 /nfs/dbraw/zinc/37/37/46/626373746.db2.gz GHSIFWYEGXXZTH-UGFHNGPFSA-N 0 0 310.388 3.009 20 10 DGCDRN CO[C@H](C)c1nsc(NCc2ccc3c(c2)CCCN3C)n1 ZINC000800848657 626379305 /nfs/dbraw/zinc/37/93/05/626379305.db2.gz WQLSTVFAOHRGCT-LLVKDONJSA-N 0 0 318.446 3.240 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CCCSC1 ZINC000839922665 626379642 /nfs/dbraw/zinc/37/96/42/626379642.db2.gz XWAQRHMYFGTLMM-GOEBONIOSA-N 0 0 320.502 3.251 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)ns1 ZINC000839922804 626381111 /nfs/dbraw/zinc/38/11/11/626381111.db2.gz ZFCCXERZNHOUCQ-GFCCVEGCSA-N 0 0 317.458 3.187 20 10 DGCDRN CCC(CC)(CCO)[NH2+]Cc1cccc(Br)c1[O-] ZINC000800894845 626383345 /nfs/dbraw/zinc/38/33/45/626383345.db2.gz NJFUIYXLDNMBAQ-UHFFFAOYSA-N 0 0 316.239 3.186 20 10 DGCDRN O=C(NCc1ccccc1O)c1nc(-c2ccccc2)cs1 ZINC000801173030 626396430 /nfs/dbraw/zinc/39/64/30/626396430.db2.gz JAZOBLVGYBRICX-UHFFFAOYSA-N 0 0 310.378 3.446 20 10 DGCDRN CCn1ncnc1COC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000801210617 626397298 /nfs/dbraw/zinc/39/72/98/626397298.db2.gz QLGGFARVBAVLJP-UHFFFAOYSA-N 0 0 324.384 3.063 20 10 DGCDRN COc1ccc2c(c1)CCCCN2Cc1ncnn1C(C)(C)C ZINC000801526262 626407688 /nfs/dbraw/zinc/40/76/88/626407688.db2.gz HBQTUUPTUHJARB-UHFFFAOYSA-N 0 0 314.433 3.385 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cnc2[nH]cnc2c1 ZINC000801546724 626409198 /nfs/dbraw/zinc/40/91/98/626409198.db2.gz XAMOWVOMBCOBAN-UHFFFAOYSA-N 0 0 324.384 3.106 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ncc(C)cc1O ZINC000801549930 626409619 /nfs/dbraw/zinc/40/96/19/626409619.db2.gz HMDTUUONYHCBPI-UHFFFAOYSA-N 0 0 314.385 3.244 20 10 DGCDRN Cc1nc(C(=O)N(Cc2ccco2)Cc2ccccc2O)co1 ZINC000801622046 626412564 /nfs/dbraw/zinc/41/25/64/626412564.db2.gz SULBGHGJFIJREJ-UHFFFAOYSA-N 0 0 312.325 3.124 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1cc(C)n(C)n1 ZINC000801639893 626412929 /nfs/dbraw/zinc/41/29/29/626412929.db2.gz GKBYSPJXIIRXBU-UHFFFAOYSA-N 0 0 316.405 3.268 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1CSC1(C)C)c1ccc(N(C)C)cc1 ZINC000801764196 626417110 /nfs/dbraw/zinc/41/71/10/626417110.db2.gz SSFPCTDSQZRZTF-BXUZGUMPSA-N 0 0 307.463 3.007 20 10 DGCDRN Cc1nc2c(cccc2C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)[nH]1 ZINC000801953590 626428095 /nfs/dbraw/zinc/42/80/95/626428095.db2.gz RLYLEQUVTTVAML-LBPRGKRZSA-N 0 0 322.412 3.428 20 10 DGCDRN COc1ccc2c(c1)OCCN(Cc1ccc(N(C)C)cc1)C2 ZINC000801966850 626428380 /nfs/dbraw/zinc/42/83/80/626428380.db2.gz YVDMBONGYXCVTF-UHFFFAOYSA-N 0 0 312.413 3.156 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1cc(C)no1 ZINC000802061704 626430121 /nfs/dbraw/zinc/43/01/21/626430121.db2.gz RFUMTMRBMREMOL-UHFFFAOYSA-N 0 0 317.389 3.201 20 10 DGCDRN O=C(Nc1ccc(OC(F)F)cc1F)C1=CC(=O)CS1 ZINC000802657666 626565371 /nfs/dbraw/zinc/56/53/71/626565371.db2.gz NAXBKPPCTBRQRV-UHFFFAOYSA-N 0 0 303.261 3.447 20 10 DGCDRN COc1cccc(CNC(=O)c2ccc3c(c2)CCC=C3)c1O ZINC000802782789 626571355 /nfs/dbraw/zinc/57/13/55/626571355.db2.gz SOJNJSWAPAJCAL-UHFFFAOYSA-N 0 0 309.365 3.290 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2nc(C(C)C)oc2C)c1 ZINC000802781746 626571537 /nfs/dbraw/zinc/57/15/37/626571537.db2.gz GDHJOLQBACZCGK-JTQLQIEISA-N 0 0 318.373 3.312 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@H]1c2ccccc2CC[C@H]1F ZINC000883250118 626624426 /nfs/dbraw/zinc/62/44/26/626624426.db2.gz BKIQIDDMJABHKU-WBVHZDCISA-N 0 0 314.360 3.217 20 10 DGCDRN CC[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)[C@@H]1CCCOC1 ZINC000883353485 626657331 /nfs/dbraw/zinc/65/73/31/626657331.db2.gz VNGVJCXMOPWURR-MFKMUULPSA-N 0 0 301.789 3.480 20 10 DGCDRN COc1cc(Br)cc([C@H](C)N[C@@H](C)C(F)F)c1O ZINC000883400011 626673229 /nfs/dbraw/zinc/67/32/29/626673229.db2.gz BKZMZZXMOBHRCB-BQBZGAKWSA-N 0 0 324.165 3.468 20 10 DGCDRN Oc1ccccc1CNc1cncc(NCc2ccccc2O)n1 ZINC000804398881 626676603 /nfs/dbraw/zinc/67/66/03/626676603.db2.gz VNWAIOGKVDLYLN-UHFFFAOYSA-N 0 0 322.368 3.112 20 10 DGCDRN COc1ccc(N(C)CC(=O)N(C)[C@H](C)CC(C)C)c(OC)c1 ZINC000131801060 626680719 /nfs/dbraw/zinc/68/07/19/626680719.db2.gz PJUJCHHWHYNANE-CQSZACIVSA-N 0 0 322.449 3.033 20 10 DGCDRN Cn1ncc2c1nccc2NCCCSc1nccs1 ZINC000804451989 626681104 /nfs/dbraw/zinc/68/11/04/626681104.db2.gz BSSXNSVZQBHOHE-UHFFFAOYSA-N 0 0 305.432 3.019 20 10 DGCDRN C[C@H](CC(=O)NCCCSc1nccs1)c1ccncc1 ZINC000132292877 626712977 /nfs/dbraw/zinc/71/29/77/626712977.db2.gz ZGXIXUQTXRNNKC-GFCCVEGCSA-N 0 0 321.471 3.330 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]3C[C@H]32)cc1 ZINC000806465377 626717370 /nfs/dbraw/zinc/71/73/70/626717370.db2.gz VKPFBJZQYDWIQQ-DOTOQJQBSA-N 0 0 301.434 3.227 20 10 DGCDRN CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2C)SC1=S ZINC000806554450 626720117 /nfs/dbraw/zinc/72/01/17/626720117.db2.gz UFUDOWOABJGVBP-XYOKQWHBSA-N 0 0 323.439 3.233 20 10 DGCDRN CCc1cc(NC(=O)NCc2cccc(OC)c2O)ccc1F ZINC000806558074 626720747 /nfs/dbraw/zinc/72/07/47/626720747.db2.gz RBSWAIROYIPPTJ-UHFFFAOYSA-N 0 0 318.348 3.424 20 10 DGCDRN Cc1noc(C2CC2)c1C(=O)NCCCSc1nccs1 ZINC000132730433 626737205 /nfs/dbraw/zinc/73/72/05/626737205.db2.gz YIFRFYMTDIAONX-UHFFFAOYSA-N 0 0 323.443 3.229 20 10 DGCDRN C[C@H](NC(=O)N[C@@H](C)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000807139265 626747367 /nfs/dbraw/zinc/74/73/67/626747367.db2.gz AVONNNLMCMUHRE-UWVGGRQHSA-N 0 0 303.328 3.064 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CSC[C@@H]1C ZINC000807477657 626758469 /nfs/dbraw/zinc/75/84/69/626758469.db2.gz VRWPPKZJHOZGST-XJKSGUPXSA-N 0 0 321.490 3.036 20 10 DGCDRN C[C@H]1CN(Cc2cc(Br)ccc2O)CC(C)(C)O1 ZINC000133113157 626766245 /nfs/dbraw/zinc/76/62/45/626766245.db2.gz IXIKTUDKRFRJLJ-JTQLQIEISA-N 0 0 314.223 3.154 20 10 DGCDRN COc1cc(CN2CC(C)(C)[C@H]2c2nccn2C)c(O)cc1C ZINC000840111821 626766426 /nfs/dbraw/zinc/76/64/26/626766426.db2.gz ZKELPXYMZOGHKF-MRXNPFEDSA-N 0 0 315.417 3.026 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C2(c3cccnc3)CCCC2)cc1 ZINC000808027210 626788077 /nfs/dbraw/zinc/78/80/77/626788077.db2.gz HLWFSTVZJRGBNU-UHFFFAOYSA-N 0 0 323.440 3.276 20 10 DGCDRN COc1ccc2ccc(O)c(CN3CCOCC(F)(F)C3)c2c1 ZINC000808234727 626807965 /nfs/dbraw/zinc/80/79/65/626807965.db2.gz ODRKHSUOCTVSRI-UHFFFAOYSA-N 0 0 323.339 3.022 20 10 DGCDRN O=C1NCc2c1cccc2NCc1c(O)ccc(Cl)c1F ZINC000808419495 626822118 /nfs/dbraw/zinc/82/21/18/626822118.db2.gz IONWYUOIODJNPC-UHFFFAOYSA-N 0 0 306.724 3.040 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000808450794 626826093 /nfs/dbraw/zinc/82/60/93/626826093.db2.gz AMQDXXBFWYTEDQ-SNVBAGLBSA-N 0 0 307.752 3.451 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@H](C3CC3)C2)cc1 ZINC000808487880 626831776 /nfs/dbraw/zinc/83/17/76/626831776.db2.gz KLMQYPHWGQQGPH-MRXNPFEDSA-N 0 0 301.434 3.084 20 10 DGCDRN CC(=O)C(=O)COC(=O)c1ccccc1Sc1ccccc1 ZINC000808522283 626835853 /nfs/dbraw/zinc/83/58/53/626835853.db2.gz QHJQONDRPFDUBV-UHFFFAOYSA-N 0 0 314.362 3.153 20 10 DGCDRN CC(=O)C(=O)COC(=O)C1(Sc2ccc(C)cc2)CCCC1 ZINC000808525034 626836174 /nfs/dbraw/zinc/83/61/74/626836174.db2.gz PHHKKNFWSDVLNN-UHFFFAOYSA-N 0 0 320.410 3.101 20 10 DGCDRN CC(=O)C(=O)COC(=O)CC(C)(C)Cc1ccc(Cl)cc1 ZINC000808539832 626837829 /nfs/dbraw/zinc/83/78/29/626837829.db2.gz ICLKNOVJWQRGQX-UHFFFAOYSA-N 0 0 310.777 3.000 20 10 DGCDRN O=C(NCc1ccccc1O)c1ccc(F)cc1Br ZINC000133773085 626838140 /nfs/dbraw/zinc/83/81/40/626838140.db2.gz WNRODFBWCDSUMF-UHFFFAOYSA-N 0 0 324.149 3.224 20 10 DGCDRN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCc3c[nH]nc3C2)c1O ZINC000808701789 626851027 /nfs/dbraw/zinc/85/10/27/626851027.db2.gz IRFJNAOPXYMFIN-GWCFXTLKSA-N 0 0 305.809 3.285 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1COc2ccc(F)cc2C1)c1ccc(F)cc1[O-] ZINC000808729139 626854797 /nfs/dbraw/zinc/85/47/97/626854797.db2.gz HPZXXGLOIMUARK-YGRLFVJLSA-N 0 0 305.324 3.325 20 10 DGCDRN Oc1ccc2c(c1)OCCN(Cc1c(O)cccc1Cl)C2 ZINC000809704997 626939374 /nfs/dbraw/zinc/93/93/74/626939374.db2.gz KQWSSBKNTXVYAS-UHFFFAOYSA-N 0 0 305.761 3.146 20 10 DGCDRN C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1c([O-])ccc(Cl)c1F ZINC000809724113 626941961 /nfs/dbraw/zinc/94/19/61/626941961.db2.gz DYZXHTPPQUKPCV-BXUZGUMPSA-N 0 0 312.816 3.243 20 10 DGCDRN CCOC1CC([N@H+](C)Cc2cccc(Br)c2[O-])C1 ZINC000809774571 626951185 /nfs/dbraw/zinc/95/11/85/626951185.db2.gz UUNULMBIPROHPI-UHFFFAOYSA-N 0 0 314.223 3.154 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1noc2c1CCCC2 ZINC000809783904 626952428 /nfs/dbraw/zinc/95/24/28/626952428.db2.gz GCUUTBXTDQUGHF-UHFFFAOYSA-N 0 0 310.756 3.341 20 10 DGCDRN Cc1ccc(O)c(CN2C[C@@H](C)C(=O)N(C)c3ccccc32)c1 ZINC000809786373 626953000 /nfs/dbraw/zinc/95/30/00/626953000.db2.gz ZKNISKPLQYDDNM-CQSZACIVSA-N 0 0 310.397 3.320 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCSC1 ZINC000809986802 626965999 /nfs/dbraw/zinc/96/59/99/626965999.db2.gz ORVICUQTHYOJHV-OAHLLOKOSA-N 0 0 306.475 3.244 20 10 DGCDRN CCCCN(C)C[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000810245211 626991682 /nfs/dbraw/zinc/99/16/82/626991682.db2.gz UVGCPXRGMUKAOK-CHWSQXEVSA-N 0 0 309.410 3.071 20 10 DGCDRN CCc1nnc(CN[C@H](CC)c2ccc(N(C)C)cc2)s1 ZINC000810259125 626994226 /nfs/dbraw/zinc/99/42/26/626994226.db2.gz BSNSSXXBUKQYTL-CQSZACIVSA-N 0 0 304.463 3.407 20 10 DGCDRN COc1ccccc1SCC(=O)N(C)Cc1ccccc1O ZINC000136460886 627081138 /nfs/dbraw/zinc/08/11/38/627081138.db2.gz JLBGZGOHAIINKL-UHFFFAOYSA-N 0 0 317.410 3.152 20 10 DGCDRN COc1cc(N(C)C[C@H]2CC[C@@H](C3CC3)O2)cc(OC)c1OC ZINC000886021013 627086385 /nfs/dbraw/zinc/08/63/85/627086385.db2.gz MVYAYDDKVJLCHB-CABCVRRESA-N 0 0 321.417 3.106 20 10 DGCDRN CCN(CC)c1ccc(CN[C@H](CCO)C(F)(F)F)cc1F ZINC000886371979 627144616 /nfs/dbraw/zinc/14/46/16/627144616.db2.gz ZKYNMMDQURIJNQ-CQSZACIVSA-N 0 0 322.346 3.075 20 10 DGCDRN C[C@H](N[C@@H](C)c1c(O)cccc1F)c1nnc2n1CCCCC2 ZINC000886500453 627153685 /nfs/dbraw/zinc/15/36/85/627153685.db2.gz WPOVCNZZINCYFJ-RYUDHWBXSA-N 0 0 318.396 3.261 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1c([O-])cccc1F ZINC000886506205 627154582 /nfs/dbraw/zinc/15/45/82/627154582.db2.gz GWLWJIHJLSOFNY-QWRGUYRKSA-N 0 0 320.330 3.066 20 10 DGCDRN C[C@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)c1c([O-])cccc1F ZINC000886509030 627154588 /nfs/dbraw/zinc/15/45/88/627154588.db2.gz XWCOPKKRIAKOCZ-SWLSCSKDSA-N 0 0 305.397 3.493 20 10 DGCDRN COc1cccc(CC[NH2+][C@@H](C)c2c([O-])cccc2F)c1OC ZINC000886507779 627154688 /nfs/dbraw/zinc/15/46/88/627154688.db2.gz YDWASZYMHYJEGN-LBPRGKRZSA-N 0 0 319.376 3.442 20 10 DGCDRN C[C@@H](N[C@@H](CO)c1c(F)cccc1F)c1c(O)cccc1F ZINC000886547885 627160751 /nfs/dbraw/zinc/16/07/51/627160751.db2.gz SZDWDYZZULCIBA-RNCFNFMXSA-N 0 0 311.303 3.194 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1c([O-])cccc1F ZINC000886556726 627162507 /nfs/dbraw/zinc/16/25/07/627162507.db2.gz JAMMURQHAOBKMI-MLGOLLRUSA-N 0 0 300.377 3.369 20 10 DGCDRN CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886557123 627162680 /nfs/dbraw/zinc/16/26/80/627162680.db2.gz TUOAJIJRGFXKIJ-LLVKDONJSA-N 0 0 305.397 3.240 20 10 DGCDRN Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886561975 627164146 /nfs/dbraw/zinc/16/41/46/627164146.db2.gz NWQFBCXOPVQHCV-GFCCVEGCSA-N 0 0 305.397 3.165 20 10 DGCDRN C[C@H](Nc1ccc(CS(C)(=O)=O)cc1)c1c(O)cccc1F ZINC000886574030 627165794 /nfs/dbraw/zinc/16/57/94/627165794.db2.gz KSNKKPDRBRGGIF-NSHDSACASA-N 0 0 323.389 3.249 20 10 DGCDRN C[C@@H](Nc1ccc(CS(C)(=O)=O)cc1)c1c(O)cccc1F ZINC000886574029 627166131 /nfs/dbraw/zinc/16/61/31/627166131.db2.gz KSNKKPDRBRGGIF-LLVKDONJSA-N 0 0 323.389 3.249 20 10 DGCDRN Cc1cccc(C[C@H](CO)[NH2+][C@H](C)c2c([O-])cccc2F)c1 ZINC000886596535 627169780 /nfs/dbraw/zinc/16/97/80/627169780.db2.gz HOCDMLQXECUSJM-UKRRQHHQSA-N 0 0 303.377 3.094 20 10 DGCDRN C[C@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)NC(=O)OC(C)(C)C ZINC000886603111 627171260 /nfs/dbraw/zinc/17/12/60/627171260.db2.gz HKHZKOXYYANVLT-MNOVXSKESA-N 0 0 312.385 3.095 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1c([O-])cccc1F ZINC000886631105 627176639 /nfs/dbraw/zinc/17/66/39/627176639.db2.gz CJMSTNKOUMCJHN-MRRJBJDNSA-N 0 0 316.376 3.497 20 10 DGCDRN C[C@@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1c([O-])cccc1F ZINC000886637949 627177916 /nfs/dbraw/zinc/17/79/16/627177916.db2.gz ISSQWIICGJGPSN-LLVKDONJSA-N 0 0 303.381 3.383 20 10 DGCDRN C[C@@H]([NH2+]CCc1cn(C)c2ncccc12)c1c([O-])cccc1F ZINC000886648473 627180116 /nfs/dbraw/zinc/18/01/16/627180116.db2.gz UVCPPHISGKBNSH-GFCCVEGCSA-N 0 0 313.376 3.311 20 10 DGCDRN CN(C)c1ccc(CN2CCC(=O)Nc3ccccc32)cc1F ZINC000811508460 627283566 /nfs/dbraw/zinc/28/35/66/627283566.db2.gz REQZLHOPSNTHLR-UHFFFAOYSA-N 0 0 313.376 3.241 20 10 DGCDRN O=C1CCN(Cc2cccc(Cl)c2O)c2ccccc2N1 ZINC000811508392 627283691 /nfs/dbraw/zinc/28/36/91/627283691.db2.gz OFPCCEXXHZZDPR-UHFFFAOYSA-N 0 0 302.761 3.394 20 10 DGCDRN CC[C@@H](NCc1nonc1C)c1ccc(C(F)(F)F)cc1O ZINC000811506774 627283713 /nfs/dbraw/zinc/28/37/13/627283713.db2.gz FGQQHCGXZFEMHW-LLVKDONJSA-N 0 0 315.295 3.343 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000811606985 627294929 /nfs/dbraw/zinc/29/49/29/627294929.db2.gz BMXXSPDNNFTBSX-QGZVFWFLSA-N 0 0 315.394 3.064 20 10 DGCDRN Cc1ccc(NC(=S)NCc2ncccc2N(C)C)c(C)c1 ZINC000811709910 627309183 /nfs/dbraw/zinc/30/91/83/627309183.db2.gz RSVGLLYYTGIGQM-UHFFFAOYSA-N 0 0 314.458 3.251 20 10 DGCDRN COc1ccc(O)c(CNc2cc(C)c(Br)cn2)c1 ZINC000811805827 627323160 /nfs/dbraw/zinc/32/31/60/627323160.db2.gz BKTPBYPQNNXCHQ-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN COc1ccc(O)c(CNc2nccc(C)c2Br)c1 ZINC000811805534 627323416 /nfs/dbraw/zinc/32/34/16/627323416.db2.gz WDWXCFSTDWCIQJ-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN CCc1nnc(N(C)Cc2ccccc2O)n1Cc1ccccc1 ZINC000812051011 627350112 /nfs/dbraw/zinc/35/01/12/627350112.db2.gz GGPYRARDGPCYBY-UHFFFAOYSA-N 0 0 322.412 3.231 20 10 DGCDRN O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)C1=CC(=O)CS1 ZINC000812253469 627364912 /nfs/dbraw/zinc/36/49/12/627364912.db2.gz UPRVNJGJRXUQHB-KGLIPLIRSA-N 0 0 303.383 3.104 20 10 DGCDRN O=C(CCCC1CC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000812504531 627393377 /nfs/dbraw/zinc/39/33/77/627393377.db2.gz ZMKCHPYZNFMUDE-QGZVFWFLSA-N 0 0 317.429 3.480 20 10 DGCDRN COc1cccc(CN2CCn3c(cc4ccccc43)C2)c1O ZINC000812800428 627422410 /nfs/dbraw/zinc/42/24/10/627422410.db2.gz VFQVQMALJIGEFV-UHFFFAOYSA-N 0 0 308.381 3.371 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NCCCCF)cc1F ZINC000812884802 627432807 /nfs/dbraw/zinc/43/28/07/627432807.db2.gz BAYATBYODSZANA-UHFFFAOYSA-N 0 0 313.392 3.221 20 10 DGCDRN CCc1cc(C(=O)NCc2ccc(N(C)C)cc2C)ccc1O ZINC000813455029 627490583 /nfs/dbraw/zinc/49/05/83/627490583.db2.gz HCLJDJCGVXWOBF-UHFFFAOYSA-N 0 0 312.413 3.259 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCCCCC(=O)C1 ZINC000813454897 627490714 /nfs/dbraw/zinc/49/07/14/627490714.db2.gz DIHUOWPTTYFOSP-OAHLLOKOSA-N 0 0 316.445 3.217 20 10 DGCDRN CCc1cc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)ccc1O ZINC000813489289 627493881 /nfs/dbraw/zinc/49/38/81/627493881.db2.gz UWUJFOXMSMTTSO-NSHDSACASA-N 0 0 315.369 3.160 20 10 DGCDRN CC(C)Cn1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000890031103 627495427 /nfs/dbraw/zinc/49/54/27/627495427.db2.gz QALMOSPSBMNWKW-CQSZACIVSA-N 0 0 314.433 3.096 20 10 DGCDRN COc1ccc(CNc2cnc(-c3ccccc3)cn2)c(O)c1 ZINC000813605072 627502945 /nfs/dbraw/zinc/50/29/45/627502945.db2.gz ILYMJLOOORPICV-UHFFFAOYSA-N 0 0 307.353 3.470 20 10 DGCDRN Cc1ccoc1CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000813720529 627508762 /nfs/dbraw/zinc/50/87/62/627508762.db2.gz VBTSQGWQGICOEL-ZDUSSCGKSA-N 0 0 301.390 3.214 20 10 DGCDRN Cc1nsc(C)c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000814125325 627543446 /nfs/dbraw/zinc/54/34/46/627543446.db2.gz YIGDDYIXRZURSV-SNVBAGLBSA-N 0 0 303.431 3.317 20 10 DGCDRN CC1(C)CN(Cc2cc(F)ccc2O)C[C@@H](C(F)(F)F)O1 ZINC000814176619 627546795 /nfs/dbraw/zinc/54/67/95/627546795.db2.gz SJMCIMHPZCNIPY-LBPRGKRZSA-N 0 0 307.287 3.073 20 10 DGCDRN COc1cc(C)nc(/C=C2/SC(=S)N(C3CCC3)C2=O)c1 ZINC000814186087 627547972 /nfs/dbraw/zinc/54/79/72/627547972.db2.gz VKZKWMQOYZCZPW-MDWZMJQESA-N 0 0 320.439 3.152 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=S)NC1CCC1 ZINC000814194257 627549266 /nfs/dbraw/zinc/54/92/66/627549266.db2.gz QRTWDRCZYAMTED-UHFFFAOYSA-N 0 0 305.491 3.390 20 10 DGCDRN CCc1noc(NCc2ccc(N(C)C)cc2C(F)(F)F)n1 ZINC000814255480 627554893 /nfs/dbraw/zinc/55/48/93/627554893.db2.gz PSGPSAHPOMMTLJ-UHFFFAOYSA-N 0 0 314.311 3.329 20 10 DGCDRN O=C1/C(=C\c2cc(Cl)ccc2O)SC(=S)N1C1CC1 ZINC000814283948 627556636 /nfs/dbraw/zinc/55/66/36/627556636.db2.gz BAGFNSBIYSKKHC-IZZDOVSWSA-N 0 0 311.815 3.409 20 10 DGCDRN CCOC(=O)CN(Cc1ccc(N(C)C)c(C)c1)C(C)(C)C ZINC000815063185 627621624 /nfs/dbraw/zinc/62/16/24/627621624.db2.gz HOGWRGZEKHSACH-UHFFFAOYSA-N 0 0 306.450 3.225 20 10 DGCDRN CCN(CC)c1ccc(CNCc2cnn(C)c2Cl)cc1F ZINC000815123778 627631737 /nfs/dbraw/zinc/63/17/37/627631737.db2.gz IGCLQMAZDWJOLM-UHFFFAOYSA-N 0 0 324.831 3.349 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3sccc3F)ccc21 ZINC000815151722 627637850 /nfs/dbraw/zinc/63/78/50/627637850.db2.gz SHIAEAOAABJXIE-UHFFFAOYSA-N 0 0 304.390 3.200 20 10 DGCDRN CC[C@H](CCO)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815587449 627688620 /nfs/dbraw/zinc/68/86/20/627688620.db2.gz JWNPCQSVCALHQA-WDEREUQCSA-N 0 0 305.340 3.470 20 10 DGCDRN C[C@@H]([NH2+]CC[C@@H]1CCOC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815615701 627691246 /nfs/dbraw/zinc/69/12/46/627691246.db2.gz VLLAQYQHTGLUNV-GHMZBOCLSA-N 0 0 303.324 3.488 20 10 DGCDRN C[C@@H]([NH2+]CC1(CCO)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815618323 627691630 /nfs/dbraw/zinc/69/16/30/627691630.db2.gz JIICJZQBGRWWIL-SNVBAGLBSA-N 0 0 303.324 3.224 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)CCc1cncs1 ZINC000815797539 627704444 /nfs/dbraw/zinc/70/44/44/627704444.db2.gz TYNPNBNYUHYBMT-UHFFFAOYSA-N 0 0 304.415 3.220 20 10 DGCDRN C[C@H](NC(=O)N[C@@H](c1ccccn1)C1CC1)c1ccccc1O ZINC000925570508 627756159 /nfs/dbraw/zinc/75/61/59/627756159.db2.gz JSQPJCPACWXGCT-YVEFUNNKSA-N 0 0 311.385 3.299 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000816503613 627798209 /nfs/dbraw/zinc/79/82/09/627798209.db2.gz FMROMRPKADGELF-ZDUSSCGKSA-N 0 0 312.816 3.245 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000816512772 627799104 /nfs/dbraw/zinc/79/91/04/627799104.db2.gz UNFJKODFHNMRRJ-UHFFFAOYSA-N 0 0 309.772 3.287 20 10 DGCDRN CCC[N@H+](C)C[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816516838 627800207 /nfs/dbraw/zinc/80/02/07/627800207.db2.gz SPZMDXBDFIUMED-GFCCVEGCSA-N 0 0 314.832 3.348 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C(=O)Nc1ccccc1 ZINC000816549011 627805690 /nfs/dbraw/zinc/80/56/90/627805690.db2.gz ADWWJRMFGSICPZ-SNVBAGLBSA-N 0 0 322.767 3.302 20 10 DGCDRN CC(C)C[C@H](CCO)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816554420 627806611 /nfs/dbraw/zinc/80/66/11/627806611.db2.gz YCTWIAKAEXIDLZ-NSHDSACASA-N 0 0 303.805 3.319 20 10 DGCDRN C[C@]1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCCC[C@@H]1O ZINC000816555870 627806770 /nfs/dbraw/zinc/80/67/70/627806770.db2.gz SCPRMSNQFSFDJC-LSDHHAIUSA-N 0 0 301.789 3.216 20 10 DGCDRN CC[S@@](C)(=O)=NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000925860390 627807910 /nfs/dbraw/zinc/80/79/10/627807910.db2.gz YBSPGNUOZQUNAL-OAQYLSRUSA-N 0 0 304.415 3.352 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H](O)CCc1ccccc1 ZINC000816568464 627808986 /nfs/dbraw/zinc/80/89/86/627808986.db2.gz HNDQJYCDDULVJC-CQSZACIVSA-N 0 0 323.795 3.268 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2cnn(C3CCCC3)c2)c1 ZINC000925872325 627809639 /nfs/dbraw/zinc/80/96/39/627809639.db2.gz SKEWUOJGKRRXPF-UHFFFAOYSA-N 0 0 314.389 3.334 20 10 DGCDRN Oc1c(CNc2ccc(-n3cncn3)cn2)ccc2ccccc21 ZINC000816590993 627811906 /nfs/dbraw/zinc/81/19/06/627811906.db2.gz QMMRNCWFVOEWNS-UHFFFAOYSA-N 0 0 317.352 3.133 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000816592395 627812255 /nfs/dbraw/zinc/81/22/55/627812255.db2.gz IYGKSBSIJWRICK-CYBMUJFWSA-N 0 0 312.816 3.291 20 10 DGCDRN CC(C)([NH2+]Cc1cc(Cl)c(F)cc1[O-])C1CCOCC1 ZINC000816594048 627812792 /nfs/dbraw/zinc/81/27/92/627812792.db2.gz NKGQJOHFKBTVPJ-UHFFFAOYSA-N 0 0 301.789 3.480 20 10 DGCDRN Cn1ccnc1[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816593409 627812813 /nfs/dbraw/zinc/81/28/13/627812813.db2.gz QTVZEZNNFKXJNP-NSHDSACASA-N 0 0 323.799 3.298 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000816649750 627820323 /nfs/dbraw/zinc/82/03/23/627820323.db2.gz JJQWAQKHLPSBMM-ZDUSSCGKSA-N 0 0 315.816 3.463 20 10 DGCDRN CN(C)c1ccc(CN2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1F ZINC000816665979 627822638 /nfs/dbraw/zinc/82/26/38/627822638.db2.gz BHWGZONPNIWUKC-MSOLQXFVSA-N 0 0 304.409 3.035 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCc2cccnc21 ZINC000816866650 627836197 /nfs/dbraw/zinc/83/61/97/627836197.db2.gz ULDCKSALJQOJBG-SFHVURJKSA-N 0 0 321.424 3.028 20 10 DGCDRN CS[C@H](C)CNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840334441 627856353 /nfs/dbraw/zinc/85/63/53/627856353.db2.gz NHYVXGIZNXBWEW-UONOGXRCSA-N 0 0 323.506 3.043 20 10 DGCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1noc(C)n1 ZINC000817299088 627879602 /nfs/dbraw/zinc/87/96/02/627879602.db2.gz UYLGLSKYSZDBRH-CQSZACIVSA-N 0 0 301.390 3.222 20 10 DGCDRN CCn1ncnc1CN1C[C@H](C(C)C)Cc2cc(OC)ccc21 ZINC000817299170 627879653 /nfs/dbraw/zinc/87/96/53/627879653.db2.gz WEIRUBIMPSBSBC-OAHLLOKOSA-N 0 0 314.433 3.142 20 10 DGCDRN Cn1ncnc1COc1ccc(N2CCCCC2)c(Cl)c1 ZINC000817382129 627891833 /nfs/dbraw/zinc/89/18/33/627891833.db2.gz QGHFOGISFYVFSZ-UHFFFAOYSA-N 0 0 306.797 3.038 20 10 DGCDRN O=C(NCc1ccccc1O)C1(c2c(F)cccc2F)CCC1 ZINC000817550710 627918400 /nfs/dbraw/zinc/91/84/00/627918400.db2.gz YOHRKLDAOWOUJW-UHFFFAOYSA-N 0 0 317.335 3.409 20 10 DGCDRN Cc1cc(NCc2ccc(N3CCOCC3)cc2)nn1C(C)C ZINC000817710364 627937386 /nfs/dbraw/zinc/93/73/86/627937386.db2.gz LXODCUREEAIRQQ-UHFFFAOYSA-N 0 0 314.433 3.221 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)CCc3cnn(C)c3)cc12 ZINC000817761963 627947066 /nfs/dbraw/zinc/94/70/66/627947066.db2.gz QMRPJLGHDSHXKM-UHFFFAOYSA-N 0 0 311.385 3.067 20 10 DGCDRN Cc1cc(CN[C@@H]2C[C@H](C)n3ncnc32)c(C)n1-c1ccccc1 ZINC000926765515 627949412 /nfs/dbraw/zinc/94/94/12/627949412.db2.gz WXCBZVQBQDFYBW-KBXCAEBGSA-N 0 0 321.428 3.481 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1 ZINC000817881156 627952447 /nfs/dbraw/zinc/95/24/47/627952447.db2.gz PEYMUBSSQYOOBA-HOCLYGCPSA-N 0 0 304.434 3.218 20 10 DGCDRN Nc1ccc(CNC(=O)C2(c3c(F)cccc3F)CCC2)cc1 ZINC000817877452 627952583 /nfs/dbraw/zinc/95/25/83/627952583.db2.gz KWLMZYIEDGRCDG-UHFFFAOYSA-N 0 0 316.351 3.285 20 10 DGCDRN CC(C)[C@@H](C)CNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817950378 627972794 /nfs/dbraw/zinc/97/27/94/627972794.db2.gz UYBMOLFSSQYVFL-LBPRGKRZSA-N 0 0 317.458 3.338 20 10 DGCDRN Cc1ccc(O)c([C@H](C)[NH2+]Cc2cc(C(F)(F)F)nn2C)c1 ZINC000926929638 627984004 /nfs/dbraw/zinc/98/40/04/627984004.db2.gz YHVCKHZBFNYVHR-JTQLQIEISA-N 0 0 313.323 3.304 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCCc2cccnc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927060336 628004728 /nfs/dbraw/zinc/00/47/28/628004728.db2.gz ABXLOVQLQHPAQQ-IAQYHMDHSA-N 0 0 313.357 3.424 20 10 DGCDRN COC1([C@@H](C)NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC000840355163 628007739 /nfs/dbraw/zinc/00/77/39/628007739.db2.gz XZJXRPMCHAAFQC-UONOGXRCSA-N 0 0 319.449 3.070 20 10 DGCDRN COC(=O)c1cnc([C@H](C)N[C@H](C)c2ccc(C)cc2O)s1 ZINC000818357038 628017917 /nfs/dbraw/zinc/01/79/17/628017917.db2.gz UUWCWMHQCBWRPC-MNOVXSKESA-N 0 0 320.414 3.356 20 10 DGCDRN COC(=O)c1cnc([C@@H](C)N[C@H](C)c2ccccc2O)s1 ZINC000818358306 628018288 /nfs/dbraw/zinc/01/82/88/628018288.db2.gz UDBUAKNICLKOEJ-NXEZZACHSA-N 0 0 306.387 3.047 20 10 DGCDRN CC[C@H]([NH2+]Cc1nc2c(s1)COCC2)c1ccc(F)cc1[O-] ZINC000927119770 628020990 /nfs/dbraw/zinc/02/09/90/628020990.db2.gz ZYBWOXPGJWDFAX-LBPRGKRZSA-N 0 0 322.405 3.301 20 10 DGCDRN CO[C@@H](CNC(=O)c1ccc(-n2c(C)ccc2C)cc1)C1CC1 ZINC000818536577 628032912 /nfs/dbraw/zinc/03/29/12/628032912.db2.gz NUJMZMYWZADUSD-SFHVURJKSA-N 0 0 312.413 3.249 20 10 DGCDRN C[C@H](Cc1cccc(Cl)c1)C(=O)NCCc1ccc(N)cc1 ZINC000818544575 628033716 /nfs/dbraw/zinc/03/37/16/628033716.db2.gz CMIKPZKRKYVISZ-CYBMUJFWSA-N 0 0 316.832 3.460 20 10 DGCDRN COc1ccc(C(=O)Nc2ccc(N)cc2)c(OCC2CC2)c1 ZINC000818556229 628035522 /nfs/dbraw/zinc/03/55/22/628035522.db2.gz BWURDYDEXDHSMZ-UHFFFAOYSA-N 0 0 312.369 3.319 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(N)c1 ZINC000818608301 628041322 /nfs/dbraw/zinc/04/13/22/628041322.db2.gz YTWUYDINIJTSMA-UHFFFAOYSA-N 0 0 311.429 3.386 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])cc1F ZINC000818631093 628045386 /nfs/dbraw/zinc/04/53/86/628045386.db2.gz CDUFEHMWMZILSC-CXAGYDPISA-N 0 0 322.424 3.357 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCCC1(c2ccccc2)CC1 ZINC000927544016 628076122 /nfs/dbraw/zinc/07/61/22/628076122.db2.gz CMEPCDCMKFLRRC-VQHVLOKHSA-N 0 0 323.392 3.349 20 10 DGCDRN O=C1CN(Cc2ccccc2O)C(=O)N1c1ccc(C2CC2)cc1 ZINC000819010035 628077374 /nfs/dbraw/zinc/07/73/74/628077374.db2.gz YGONQPNRADXIMK-UHFFFAOYSA-N 0 0 322.364 3.238 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)C(F)=C3CCC3)CC2)cc1 ZINC000819139343 628098924 /nfs/dbraw/zinc/09/89/24/628098924.db2.gz CPELYKIERLKFCA-UHFFFAOYSA-N 0 0 318.392 3.141 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@@H]2CC[C@H](C(=O)[O-])C2)cc1F ZINC000819161239 628103332 /nfs/dbraw/zinc/10/33/32/628103332.db2.gz CVRBTNNHDLGSGV-UONOGXRCSA-N 0 0 308.397 3.015 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCCCF ZINC000840377828 628119568 /nfs/dbraw/zinc/11/95/68/628119568.db2.gz KCDJYIPJRWLHHP-CQSZACIVSA-N 0 0 309.429 3.041 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1nnc(C(F)F)o1 ZINC000840384014 628153694 /nfs/dbraw/zinc/15/36/94/628153694.db2.gz DFBUAWLRKLQBJE-SNVBAGLBSA-N 0 0 310.348 3.425 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)C[C@H](C)n1cccn1 ZINC000819523789 628166877 /nfs/dbraw/zinc/16/68/77/628166877.db2.gz BEZXQUPRJUHGML-HNNXBMFYSA-N 0 0 315.417 3.369 20 10 DGCDRN O=C(NCc1cc(Br)ccc1O)C(F)=C1CCC1 ZINC000819531212 628167658 /nfs/dbraw/zinc/16/76/58/628167658.db2.gz UOCWLTGGTXHIJD-UHFFFAOYSA-N 0 0 314.154 3.178 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)/C=C/C(C)(C)C)C2)cc1 ZINC000819582124 628171384 /nfs/dbraw/zinc/17/13/84/628171384.db2.gz IFMOYTJBDADOQS-SLZMIMFISA-N 0 0 316.445 3.240 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CC[C@@H](C3CCC3)C2)cc1OC ZINC000840391749 628173768 /nfs/dbraw/zinc/17/37/68/628173768.db2.gz NPHKWLDDZZTIJZ-GFCCVEGCSA-N 0 0 306.362 3.238 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CC[C@H](C3CCC3)C2)cc1OC ZINC000840391750 628174002 /nfs/dbraw/zinc/17/40/02/628174002.db2.gz NPHKWLDDZZTIJZ-LBPRGKRZSA-N 0 0 306.362 3.238 20 10 DGCDRN O=C(NCc1c(O)cccc1F)C1(c2cccnc2)CCCC1 ZINC000928706858 628179615 /nfs/dbraw/zinc/17/96/15/628179615.db2.gz XPEHEAQYASWMLL-UHFFFAOYSA-N 0 0 314.360 3.055 20 10 DGCDRN CC(C)(C)c1cnc(CCC(=O)NCc2c(O)cccc2F)o1 ZINC000928708242 628179976 /nfs/dbraw/zinc/17/99/76/628179976.db2.gz JGXGGTMSFXLXFD-UHFFFAOYSA-N 0 0 320.364 3.066 20 10 DGCDRN CC[C@@H](C(=O)NCc1c(O)cccc1F)c1ccc(OC)cc1 ZINC000928709000 628179993 /nfs/dbraw/zinc/17/99/93/628179993.db2.gz VAFHRELJXQZFEI-CQSZACIVSA-N 0 0 317.360 3.350 20 10 DGCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)/C(C)=C(\C)CC ZINC000819697022 628180454 /nfs/dbraw/zinc/18/04/54/628180454.db2.gz LWHFKOOPEASPAX-BUHFOSPRSA-N 0 0 319.401 3.030 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccoc1C1CC1 ZINC000819760936 628186588 /nfs/dbraw/zinc/18/65/88/628186588.db2.gz KJTRVUKJDVQTCH-UHFFFAOYSA-N 0 0 306.358 3.278 20 10 DGCDRN Cc1ccc(CN2CCc3c(ncn3-c3ccccc3)C2)c(O)c1 ZINC000929067772 628207185 /nfs/dbraw/zinc/20/71/85/628207185.db2.gz GFEKEFFLCQNJNE-UHFFFAOYSA-N 0 0 319.408 3.445 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000820295009 628243580 /nfs/dbraw/zinc/24/35/80/628243580.db2.gz GDARMZACFKJJOH-FZMZJTMJSA-N 0 0 300.362 3.254 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NCC(C2CC2)C2CC2)cc1 ZINC000820367613 628250524 /nfs/dbraw/zinc/25/05/24/628250524.db2.gz RIIHYJFVADIHMH-UHFFFAOYSA-N 0 0 300.362 3.015 20 10 DGCDRN O=C(N[C@H]1C=CCC1)N(Cc1ccco1)Cc1ccccc1O ZINC000821085183 628335751 /nfs/dbraw/zinc/33/57/51/628335751.db2.gz CSYAXNCDACKNDX-HNNXBMFYSA-N 0 0 312.369 3.416 20 10 DGCDRN COc1ccc(N(Cc2ccco2)C[C@H]2CCC(=O)O2)cc1F ZINC000821397032 628363810 /nfs/dbraw/zinc/36/38/10/628363810.db2.gz YIVOTQIBXGELNU-CQSZACIVSA-N 0 0 319.332 3.140 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC23CCCCC3)cc1 ZINC000821516562 628378993 /nfs/dbraw/zinc/37/89/93/628378993.db2.gz NIZDIXUSNPWMEJ-CYBMUJFWSA-N 0 0 300.362 3.302 20 10 DGCDRN C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]2CCCC[C@@H]21 ZINC000821824443 628400287 /nfs/dbraw/zinc/40/02/87/628400287.db2.gz UFWYLFYIVPEOJY-KCPJHIHWSA-N 0 0 314.389 3.500 20 10 DGCDRN C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H]2CCCC[C@H]12 ZINC000821824441 628400465 /nfs/dbraw/zinc/40/04/65/628400465.db2.gz UFWYLFYIVPEOJY-DFBGVHRSSA-N 0 0 314.389 3.500 20 10 DGCDRN C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC(C)(C)C1 ZINC000821852296 628403620 /nfs/dbraw/zinc/40/36/20/628403620.db2.gz JSGPIBFJVKVSLL-NSHDSACASA-N 0 0 302.378 3.357 20 10 DGCDRN C[C@@H]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC000821911709 628409806 /nfs/dbraw/zinc/40/98/06/628409806.db2.gz BYCAJZMUMWTZFC-SUNKGSAMSA-N 0 0 302.378 3.404 20 10 DGCDRN CNc1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000822083081 628420570 /nfs/dbraw/zinc/42/05/70/628420570.db2.gz SAYJFIKRMCTCFU-LBPRGKRZSA-N 0 0 315.392 3.424 20 10 DGCDRN CC[C@H]1CCC[C@@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000822197214 628429048 /nfs/dbraw/zinc/42/90/48/628429048.db2.gz QGFVVDXERRSVIY-YJBOKZPZSA-N 0 0 316.445 3.170 20 10 DGCDRN COc1cc(N(C)Cc2cncn2C(C)C)cc(OC)c1OC ZINC000822469649 628454993 /nfs/dbraw/zinc/45/49/93/628454993.db2.gz BVFIENNGMCDRIE-UHFFFAOYSA-N 0 0 319.405 3.126 20 10 DGCDRN CN(C)c1ccc(CN(Cc2nc(C(F)F)no2)C2CC2)cc1 ZINC000822583424 628467475 /nfs/dbraw/zinc/46/74/75/628467475.db2.gz NRFSMHOAIVFGRH-UHFFFAOYSA-N 0 0 322.359 3.238 20 10 DGCDRN CCC(=O)C1(C(=O)NCc2ccc(N3CCCCC3)cc2)CC1 ZINC000822819228 628498449 /nfs/dbraw/zinc/49/84/49/628498449.db2.gz OPIMVGGYHHQXGX-UHFFFAOYSA-N 0 0 314.429 3.052 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1cc(C2CC2)oc1C1CC1 ZINC000822972662 628514465 /nfs/dbraw/zinc/51/44/65/628514465.db2.gz WRZLSEPZXJMDRC-UHFFFAOYSA-N 0 0 313.353 3.376 20 10 DGCDRN CC(C)(CCNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC000823203614 628536720 /nfs/dbraw/zinc/53/67/20/628536720.db2.gz WOHGZVNSPYHIBD-UHFFFAOYSA-N 0 0 302.378 3.405 20 10 DGCDRN CC(F)(F)C(C)(C)C(=O)NCCCSc1nccs1 ZINC000823297727 628547508 /nfs/dbraw/zinc/54/75/08/628547508.db2.gz IHILWWCZSNRQPN-UHFFFAOYSA-N 0 0 308.419 3.423 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)C1CCC1 ZINC000840478986 628555331 /nfs/dbraw/zinc/55/53/31/628555331.db2.gz KWIGLRIUIMFYQV-AWEZNQCLSA-N 0 0 303.450 3.186 20 10 DGCDRN CC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CC1(C)C ZINC000823683034 628586731 /nfs/dbraw/zinc/58/67/31/628586731.db2.gz PPJNJLAPQCHKON-QWHCGFSZSA-N 0 0 302.378 3.404 20 10 DGCDRN C[C@@H](NC(=O)[C@@H]1CCC1(C)C)c1ccc(N2CCOCC2)cc1 ZINC000823835343 628600910 /nfs/dbraw/zinc/60/09/10/628600910.db2.gz XRYVEXDHYIICTC-PBHICJAKSA-N 0 0 316.445 3.137 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NOCC1CCC1 ZINC000824111769 628628829 /nfs/dbraw/zinc/62/88/29/628628829.db2.gz MLGFGRWZJVRIDQ-AWEZNQCLSA-N 0 0 319.449 3.023 20 10 DGCDRN CC(C)(C)c1nc(C(=O)NCc2cc(Cl)ccc2O)co1 ZINC000824212955 628637442 /nfs/dbraw/zinc/63/74/42/628637442.db2.gz DJZJIKDTEMEAFM-UHFFFAOYSA-N 0 0 308.765 3.261 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H](C)[C@H]1CCCO1 ZINC000824234181 628641204 /nfs/dbraw/zinc/64/12/04/628641204.db2.gz FWPHLLHOZFEVRU-CRAIPNDOSA-N 0 0 318.461 3.306 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000824245985 628642285 /nfs/dbraw/zinc/64/22/85/628642285.db2.gz GAAQARKUWJXDNQ-AWEZNQCLSA-N 0 0 322.315 3.110 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1cccnc1 ZINC000840487729 628663987 /nfs/dbraw/zinc/66/39/87/628663987.db2.gz HSDZJDVMEFRJBA-CQSZACIVSA-N 0 0 312.417 3.209 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)CC(C)C ZINC000840488274 628669374 /nfs/dbraw/zinc/66/93/74/628669374.db2.gz KYVDGIHTEQNRFH-OAHLLOKOSA-N 0 0 305.466 3.289 20 10 DGCDRN Cn1ccnc1[C@@H]1N(Cc2cc(Cl)ccc2O)CC1(C)C ZINC000824620361 628678357 /nfs/dbraw/zinc/67/83/57/628678357.db2.gz LOEIWGKDWBPWTH-AWEZNQCLSA-N 0 0 305.809 3.362 20 10 DGCDRN Cc1cc(O)c(CN(C)Cc2nnc3ccccn32)cc1Cl ZINC000824649535 628679716 /nfs/dbraw/zinc/67/97/16/628679716.db2.gz DDXUMUFJFYYCLD-UHFFFAOYSA-N 0 0 316.792 3.029 20 10 DGCDRN COCc1csc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000824669597 628682311 /nfs/dbraw/zinc/68/23/11/628682311.db2.gz NXMMKGQPVVBALP-UHFFFAOYSA-N 0 0 322.405 3.030 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)C[C@H]3CC=CCC3)C2)cc1 ZINC000824729528 628687720 /nfs/dbraw/zinc/68/77/20/628687720.db2.gz WUBWWIHZBBYFJI-HOTGVXAUSA-N 0 0 314.429 3.137 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000824723079 628687794 /nfs/dbraw/zinc/68/77/94/628687794.db2.gz ZYGCZFHAPFBVLG-NILFDRSVSA-N 0 0 313.800 3.310 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000824845140 628699471 /nfs/dbraw/zinc/69/94/71/628699471.db2.gz IFLVDCFZXAGYFA-HIFRSBDPSA-N 0 0 313.800 3.071 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000824845138 628699541 /nfs/dbraw/zinc/69/95/41/628699541.db2.gz IFLVDCFZXAGYFA-DZGCQCFKSA-N 0 0 313.800 3.071 20 10 DGCDRN COc1ccc(O)c([C@H](C)N[C@H](C(=O)OC(C)C)C(C)C)c1 ZINC000824846630 628700064 /nfs/dbraw/zinc/70/00/64/628700064.db2.gz UTEZTZWYKSNWFZ-LRDDRELGSA-N 0 0 309.406 3.028 20 10 DGCDRN CCOc1ccc(CN(CCOC)c2ccccc2)c(O)c1 ZINC000825035053 628718932 /nfs/dbraw/zinc/71/89/32/628718932.db2.gz AUYXEWKUTWOUDF-UHFFFAOYSA-N 0 0 301.386 3.444 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1c(C)cnn1CC ZINC000825159460 628733456 /nfs/dbraw/zinc/73/34/56/628733456.db2.gz BVXCPIFNRIPQOQ-UHFFFAOYSA-N 0 0 316.405 3.361 20 10 DGCDRN COC[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000825321638 628749079 /nfs/dbraw/zinc/74/90/79/628749079.db2.gz JRXXSLJWCWSVDH-NSHDSACASA-N 0 0 301.789 3.433 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1)c1ccc(N(C)C)cc1 ZINC000825464028 628763991 /nfs/dbraw/zinc/76/39/91/628763991.db2.gz BJJXXGWNANFZLQ-OFQRWUPVSA-N 0 0 319.449 3.182 20 10 DGCDRN C/C(=C/C(=O)N1CC2(CCC2)c2c1cccc2F)c1cnccn1 ZINC000825589007 628775415 /nfs/dbraw/zinc/77/54/15/628775415.db2.gz RMUJDSFSMFDWPS-RAXLEYEMSA-N 0 0 323.371 3.488 20 10 DGCDRN CC(C)(C)OC(=O)c1cccnc1NCc1ccccc1O ZINC000825667846 628783922 /nfs/dbraw/zinc/78/39/22/628783922.db2.gz IKHLUACEOAMIGZ-UHFFFAOYSA-N 0 0 300.358 3.355 20 10 DGCDRN CC(=O)c1cc(F)cc(C[NH2+]C2(CC(=O)[O-])CCCCC2)c1O ZINC000825946769 628813540 /nfs/dbraw/zinc/81/35/40/628813540.db2.gz PENAIYXPENMMQJ-UHFFFAOYSA-N 0 0 323.364 3.001 20 10 DGCDRN CO[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)C[C@@H]1C ZINC000826062201 628824237 /nfs/dbraw/zinc/82/42/37/628824237.db2.gz NBSVXSYEXWBLAF-IINYFYTJSA-N 0 0 314.223 3.012 20 10 DGCDRN Cc1cc(O)c(C[NH+]2CC(CO)(c3ccccc3)C2)cc1Cl ZINC000826123949 628830088 /nfs/dbraw/zinc/83/00/88/628830088.db2.gz XOWOFDNYPGNXNX-UHFFFAOYSA-N 0 0 317.816 3.100 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1CCS[C@H]1C)c1ccc(N(C)C)cc1 ZINC000826532602 628856517 /nfs/dbraw/zinc/85/65/17/628856517.db2.gz WJIMSYFMCWUCHN-SLEUVZQESA-N 0 0 307.463 3.007 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(N(C)C)cc1 ZINC000826532611 628856601 /nfs/dbraw/zinc/85/66/01/628856601.db2.gz WOORKAOKVVWIBW-LCGIIJARSA-N 0 0 301.434 3.301 20 10 DGCDRN CC(C)(C)N1CC[C@H]1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000826791202 628887909 /nfs/dbraw/zinc/88/79/09/628887909.db2.gz TWXHBIUJRVOVPQ-LBPRGKRZSA-N 0 0 300.805 3.147 20 10 DGCDRN COc1c([O-])c(C[NH+]2CCC(C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000826947080 628906282 /nfs/dbraw/zinc/90/62/82/628906282.db2.gz NCGACDAQTRNAQB-UHFFFAOYSA-N 0 0 320.389 3.321 20 10 DGCDRN COCC[N@H+](CCF)Cc1cc(-c2ccccc2)ccc1O ZINC000827053997 628917062 /nfs/dbraw/zinc/91/70/62/628917062.db2.gz KNOYBEGLWLZCKA-UHFFFAOYSA-N 0 0 303.377 3.477 20 10 DGCDRN C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1C(=O)C1=CC(=O)CS1 ZINC000827223496 628938341 /nfs/dbraw/zinc/93/83/41/628938341.db2.gz HXOFNELFBNMPJN-BFQNTYOBSA-N 0 0 317.410 3.444 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000827243978 628940888 /nfs/dbraw/zinc/94/08/88/628940888.db2.gz QAJSEHSJLLBCSC-YPMHNXCESA-N 0 0 321.726 3.089 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1nnc(C2CC2)s1 ZINC000827378806 628954507 /nfs/dbraw/zinc/95/45/07/628954507.db2.gz YDAFODGASJHZRT-UHFFFAOYSA-N 0 0 301.415 3.377 20 10 DGCDRN Cn1ncc(C2CCC2)c1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000827401319 628955766 /nfs/dbraw/zinc/95/57/66/628955766.db2.gz RKHGNJVMIJFUHL-UHFFFAOYSA-N 0 0 323.799 3.476 20 10 DGCDRN Cn1ncc(C2CCC2)c1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000827401041 628955882 /nfs/dbraw/zinc/95/58/82/628955882.db2.gz LGEWEURCEABWJI-UHFFFAOYSA-N 0 0 305.809 3.336 20 10 DGCDRN CCCN(C)CC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000827583859 628973217 /nfs/dbraw/zinc/97/32/17/628973217.db2.gz MWJZMHFLZFLBNY-UHFFFAOYSA-N 0 0 303.381 3.153 20 10 DGCDRN COc1c([O-])c(C[N@H+](CCC2CC2)CC2CC2)ccc1[N+](=O)[O-] ZINC000827729481 628986372 /nfs/dbraw/zinc/98/63/72/628986372.db2.gz VNIAJHPFEDMWNE-UHFFFAOYSA-N 0 0 320.389 3.321 20 10 DGCDRN Cc1noc(C(F)(F)F)c1C(=O)N[C@H](C)c1ccccc1O ZINC000827936887 629005176 /nfs/dbraw/zinc/00/51/76/629005176.db2.gz FHETVRHGYXGINT-SSDOTTSWSA-N 0 0 314.263 3.198 20 10 DGCDRN Cc1nc(CCCC(=O)N[C@H](C)c2ccccc2O)cs1 ZINC000827937187 629005459 /nfs/dbraw/zinc/00/54/59/629005459.db2.gz NUQXBUYGZFCLOM-LLVKDONJSA-N 0 0 304.415 3.357 20 10 DGCDRN Cc1nc(Cl)ccc1CC(=O)N[C@H](C)c1ccccc1O ZINC000827941499 629005989 /nfs/dbraw/zinc/00/59/89/629005989.db2.gz SQFCZWDSDDMQJQ-LLVKDONJSA-N 0 0 304.777 3.169 20 10 DGCDRN C[C@@H](NC(=O)[C@H]1CCCc2c(O)cccc21)c1ccccc1O ZINC000827946570 629006713 /nfs/dbraw/zinc/00/67/13/629006713.db2.gz MJNDDSSLIRTSMU-WBMJQRKESA-N 0 0 311.381 3.395 20 10 DGCDRN C[C@@H](NC(=O)C1(C(=O)OC(C)(C)C)CCC1)c1ccccc1O ZINC000827952353 629006846 /nfs/dbraw/zinc/00/68/46/629006846.db2.gz OXIQZFGSFRAOLY-GFCCVEGCSA-N 0 0 319.401 3.081 20 10 DGCDRN C[C@H](NC(=O)C1([C@@H]2CCCCO2)CCC1)c1ccccc1O ZINC000827957869 629008006 /nfs/dbraw/zinc/00/80/06/629008006.db2.gz ZPVWKHVOQWWRJF-BBRMVZONSA-N 0 0 303.402 3.309 20 10 DGCDRN C[C@@H](COCC(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 ZINC000827960513 629008048 /nfs/dbraw/zinc/00/80/48/629008048.db2.gz QDUZRLLILNXAFK-GJZGRUSLSA-N 0 0 313.397 3.390 20 10 DGCDRN CC(C)[C@H](C(=O)N[C@@H](C)c1ccccc1O)C(=O)OC(C)(C)C ZINC000827960537 629008344 /nfs/dbraw/zinc/00/83/44/629008344.db2.gz QTEWSYGSSUCRMQ-SWLSCSKDSA-N 0 0 321.417 3.183 20 10 DGCDRN CCOc1ccc(O)c(CN2C[C@H](C)O[C@](C)(C(F)F)C2)c1 ZINC000827962816 629008917 /nfs/dbraw/zinc/00/89/17/629008917.db2.gz UECNFNVPISEDAO-ZBEGNZNMSA-N 0 0 315.360 3.035 20 10 DGCDRN Cc1nc2ccccc2n1CCC(=O)N[C@@H](C)c1ccccc1O ZINC000827968965 629009198 /nfs/dbraw/zinc/00/91/98/629009198.db2.gz DGEHLBKZGLFIMJ-ZDUSSCGKSA-N 0 0 323.396 3.318 20 10 DGCDRN CC[C@H](C)n1nc(C(=O)N[C@@H](C)c2ccccc2O)cc1C ZINC000827968992 629009446 /nfs/dbraw/zinc/00/94/46/629009446.db2.gz DQNCCVDBDARFDE-AAEUAGOBSA-N 0 0 301.390 3.359 20 10 DGCDRN C[C@H](NC(=O)[C@H]1CCN(c2ccccc2)C1)c1ccccc1O ZINC000827964899 629009518 /nfs/dbraw/zinc/00/95/18/629009518.db2.gz ZOAUBNRYYDDIRT-GJZGRUSLSA-N 0 0 310.397 3.096 20 10 DGCDRN CC(C)[C@H]1C[C@H](CC(=O)N[C@@H](C)c2ccccc2O)CCO1 ZINC000827970139 629009694 /nfs/dbraw/zinc/00/96/94/629009694.db2.gz XNUSRGLPZITQHY-JJRVBVJISA-N 0 0 305.418 3.411 20 10 DGCDRN C[C@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1O ZINC000827985049 629011357 /nfs/dbraw/zinc/01/13/57/629011357.db2.gz HLLSPLROIAHLCK-ZDUSSCGKSA-N 0 0 324.380 3.010 20 10 DGCDRN COc1ccc(N(CC[S@@](C)=O)Cc2cccs2)cc1 ZINC000828273515 629040762 /nfs/dbraw/zinc/04/07/62/629040762.db2.gz MDIHFTBUHBCZBM-HXUWFJFHSA-N 0 0 309.456 3.142 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCC2CCC(F)CC2)c1 ZINC000828389099 629049880 /nfs/dbraw/zinc/04/98/80/629049880.db2.gz FBGVAUDSQDMOFI-PNESKVBLSA-N 0 0 324.396 3.289 20 10 DGCDRN Cc1cc(CC(=O)Nc2cn(C)nc2C)c(C)n1-c1ccccc1 ZINC000828530251 629063439 /nfs/dbraw/zinc/06/34/39/629063439.db2.gz HKUJOGLXYMPOBJ-UHFFFAOYSA-N 0 0 322.412 3.317 20 10 DGCDRN C[C@@H](NC(=O)[C@]1(c2ccccc2)CCCO1)c1ccccc1O ZINC000828539913 629064744 /nfs/dbraw/zinc/06/47/44/629064744.db2.gz WGFCYMFSIIEQKG-AUUYWEPGSA-N 0 0 311.381 3.275 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCS[C@H]1C ZINC000828541435 629064813 /nfs/dbraw/zinc/06/48/13/629064813.db2.gz IBOJLCDINJTQOZ-JSGCOSHPSA-N 0 0 308.447 3.208 20 10 DGCDRN O=C(N[C@@H](Cc1cccnc1)C1CCCC1)C1=CC(=O)CS1 ZINC000828598531 629073401 /nfs/dbraw/zinc/07/34/01/629073401.db2.gz HNKMPIATVLOJCU-HNNXBMFYSA-N 0 0 316.426 3.380 20 10 DGCDRN Cc1cc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)ccc1N1CCCCC1 ZINC000828785140 629091812 /nfs/dbraw/zinc/09/18/12/629091812.db2.gz CLMKNTQHTFUVHB-AOMKIAJQSA-N 0 0 322.518 3.184 20 10 DGCDRN O=C(NC1(c2cccc(F)c2)CCOCC1)C1=CC(=O)CS1 ZINC000829176169 629137761 /nfs/dbraw/zinc/13/77/61/629137761.db2.gz RVOLFFYPUJDDML-UHFFFAOYSA-N 0 0 321.373 3.029 20 10 DGCDRN Cc1cc(C(=O)CN2[C@H](C)C[C@@H]2C)c(C)n1-c1ccc(F)cn1 ZINC000829335279 629150792 /nfs/dbraw/zinc/15/07/92/629150792.db2.gz DWWRWJRUOVTJBN-TXEJJXNPSA-N 0 0 315.392 3.294 20 10 DGCDRN CCOc1cccc(CSc2ncc(C(=O)OC)s2)n1 ZINC000829681122 629181860 /nfs/dbraw/zinc/18/18/60/629181860.db2.gz OETZJCOCCBHZIR-UHFFFAOYSA-N 0 0 310.400 3.016 20 10 DGCDRN Cc1cncc([C@@H]2CCCN2C(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000830465521 629272967 /nfs/dbraw/zinc/27/29/67/629272967.db2.gz RPIPOZJQHYDFLV-YERXGYGTSA-N 0 0 324.380 3.178 20 10 DGCDRN CN(Cc1ccccc1O)c1nnc(-c2ccc[nH]2)n1CC1CC1 ZINC000830511741 629279420 /nfs/dbraw/zinc/27/94/20/629279420.db2.gz WVWATZJOXAPOQP-UHFFFAOYSA-N 0 0 323.400 3.025 20 10 DGCDRN COc1cccc(CNC(=O)C2CC3(C2)CCCCC3)c1O ZINC000830536938 629281828 /nfs/dbraw/zinc/28/18/28/629281828.db2.gz YGNZXIPOJPARPU-UHFFFAOYSA-N 0 0 303.402 3.378 20 10 DGCDRN CN(C)c1ccc(C[N@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1F ZINC000830636098 629290635 /nfs/dbraw/zinc/29/06/35/629290635.db2.gz VFPYCYJIEKGUMF-QRTARXTBSA-N 0 0 320.408 3.109 20 10 DGCDRN C/C(=C\C(=O)N1CC2(CCC2)c2ccccc21)c1cnccn1 ZINC000830940180 629322555 /nfs/dbraw/zinc/32/25/55/629322555.db2.gz NIEQIHPPSLSMGP-SDNWHVSQSA-N 0 0 305.381 3.348 20 10 DGCDRN C/C(=C/C(=O)N(C)c1ccc(OC(C)C)cc1)c1cnccn1 ZINC000831115722 629340109 /nfs/dbraw/zinc/34/01/09/629340109.db2.gz LFFVLFXXZXSVEW-KAMYIIQDSA-N 0 0 311.385 3.330 20 10 DGCDRN CCCn1ncnc1CN(CC1CC1)c1ccc(OC)cc1 ZINC000831588019 629394114 /nfs/dbraw/zinc/39/41/14/629394114.db2.gz RGNFOLDGODRWFB-UHFFFAOYSA-N 0 0 300.406 3.113 20 10 DGCDRN C[C@@H](NC(=O)Nc1cccnc1F)c1ccc(N(C)C)cc1 ZINC000832064572 629439330 /nfs/dbraw/zinc/43/93/30/629439330.db2.gz RLEUWBSQPDUJHY-LLVKDONJSA-N 0 0 302.353 3.169 20 10 DGCDRN COc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccccc2F)cc1C ZINC000832340309 629469237 /nfs/dbraw/zinc/46/92/37/629469237.db2.gz CLMUKTSUITXBPG-INIZCTEOSA-N 0 0 303.333 3.058 20 10 DGCDRN Cc1ccn([C@@H](C)CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000832437108 629480118 /nfs/dbraw/zinc/48/01/18/629480118.db2.gz XDEHZOYEBIKRGY-LSDHHAIUSA-N 0 0 314.433 3.086 20 10 DGCDRN CO[C@@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CCCC1 ZINC000832437313 629480282 /nfs/dbraw/zinc/48/02/82/629480282.db2.gz ZDAGJDHXZYAIKJ-SUMWQHHRSA-N 0 0 304.434 3.135 20 10 DGCDRN Nc1ccc(CCNC(=O)c2cc(C3CCCCC3)n[nH]2)cc1 ZINC000832658890 629502972 /nfs/dbraw/zinc/50/29/72/629502972.db2.gz GEYUKDCNKXYZQZ-UHFFFAOYSA-N 0 0 312.417 3.012 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[NH2+]C(C)(C)CN2CCCC2)c1[O-] ZINC000832756261 629510534 /nfs/dbraw/zinc/51/05/34/629510534.db2.gz LLCHYWHWZMZXPK-UHFFFAOYSA-N 0 0 324.852 3.212 20 10 DGCDRN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000833420425 629602414 /nfs/dbraw/zinc/60/24/14/629602414.db2.gz ROMWRYLSHMLUSA-INIZCTEOSA-N 0 0 317.429 3.204 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCC(C)(C)CO ZINC000833633907 629633724 /nfs/dbraw/zinc/63/37/24/629633724.db2.gz MTKGAYJUTAFGKJ-UHFFFAOYSA-N 0 0 320.458 3.294 20 10 DGCDRN CCOc1ccc(O)c(C[N@H+](C)[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000833662969 629637607 /nfs/dbraw/zinc/63/76/07/629637607.db2.gz PGPABXUATVHFAZ-KRWDZBQOSA-N 0 0 315.369 3.049 20 10 DGCDRN COc1cccc(C)c1/C=C1\SC(N2CCCCC2)=NC1=O ZINC000834408822 629706612 /nfs/dbraw/zinc/70/66/12/629706612.db2.gz NDYOBIMGVLTEQE-PTNGSMBKSA-N 0 0 316.426 3.460 20 10 DGCDRN COc1cc(F)cc(/C=C2\SC(N3CCCCC3)=NC2=O)c1 ZINC000834409280 629706752 /nfs/dbraw/zinc/70/67/52/629706752.db2.gz SYCLZYKGSXTKJZ-ZROIWOOFSA-N 0 0 320.389 3.291 20 10 DGCDRN Cc1cnc(NCc2ccc(N(C)C)cc2C(F)(F)F)nc1 ZINC000834478593 629716265 /nfs/dbraw/zinc/71/62/65/629716265.db2.gz LYIGLRHJXLFHTA-UHFFFAOYSA-N 0 0 310.323 3.482 20 10 DGCDRN C[C@@H](CCCO)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000834870810 629794193 /nfs/dbraw/zinc/79/41/93/629794193.db2.gz KNWHJIDBWLSEEQ-QWRGUYRKSA-N 0 0 305.340 3.470 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](O)C1CCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000834906674 629805159 /nfs/dbraw/zinc/80/51/59/629805159.db2.gz RTMNJWGRXZEFAJ-NOZJJQNGSA-N 0 0 303.324 3.223 20 10 DGCDRN CC[C@H]([NH2+]CCc1cnc(C)cn1)c1cccc(Cl)c1[O-] ZINC000834910710 629806637 /nfs/dbraw/zinc/80/66/37/629806637.db2.gz YFIQRZPVHWTESC-HNNXBMFYSA-N 0 0 305.809 3.427 20 10 DGCDRN CC(C)c1nnc([C@H](C)NCC=Cc2ccc(N(C)C)cc2)[nH]1 ZINC000835042394 629832620 /nfs/dbraw/zinc/83/26/20/629832620.db2.gz UXFCWJXEJUYTRC-UZYOAWRESA-N 0 0 313.449 3.358 20 10 DGCDRN CN(C)c1ccc(/C=C/CNc2cnc3c(c2)COCC3)cc1 ZINC000835042764 629833068 /nfs/dbraw/zinc/83/30/68/629833068.db2.gz LKXSANRODOXYHT-ONEGZZNKSA-N 0 0 309.413 3.346 20 10 DGCDRN CN(C)c1ccc(/C=C/CN(C)Cc2ncc(Cl)n2C)cc1 ZINC000835045374 629833676 /nfs/dbraw/zinc/83/36/76/629833676.db2.gz VJZUBIILEQPFOO-AATRIKPKSA-N 0 0 318.852 3.285 20 10 DGCDRN CC1(C)C[C@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC000835058711 629839367 /nfs/dbraw/zinc/83/93/67/629839367.db2.gz BNQICZFCXFXOFH-SNVBAGLBSA-N 0 0 301.789 3.480 20 10 DGCDRN CN(C)c1ccc(/C=C/CN2C[C@]3(CCCO3)[C@H]2C2CC2)cc1 ZINC000835055878 629839793 /nfs/dbraw/zinc/83/97/93/629839793.db2.gz OQPWUWCUJFEKFV-YGXGPUHLSA-N 0 0 312.457 3.409 20 10 DGCDRN CC1(C)C[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000835060594 629840606 /nfs/dbraw/zinc/84/06/06/629840606.db2.gz RVWXCURQYCGVFO-SNVBAGLBSA-N 0 0 301.789 3.480 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@@]2(C)CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000835075314 629844373 /nfs/dbraw/zinc/84/43/73/629844373.db2.gz XKZGFDFNOSOIBL-ZBEGNZNMSA-N 0 0 308.378 3.367 20 10 DGCDRN Cc1ccc2c(CC(=O)N(C)Cc3ccccc3O)c[nH]c2c1 ZINC000101948895 629861542 /nfs/dbraw/zinc/86/15/42/629861542.db2.gz UYFICMQFROHALX-UHFFFAOYSA-N 0 0 308.381 3.383 20 10 DGCDRN Cc1cnc(OC(C)C)c(NC(=O)NCc2ccccc2O)c1 ZINC000836708333 630153813 /nfs/dbraw/zinc/15/38/13/630153813.db2.gz YHIYGDVLZNCIIY-UHFFFAOYSA-N 0 0 315.373 3.205 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2scnc2C(C)C)c1 ZINC000836739785 630157694 /nfs/dbraw/zinc/15/76/94/630157694.db2.gz DZAHKHOLORVQPT-UHFFFAOYSA-N 0 0 321.402 3.302 20 10 DGCDRN COc1ccc(CNC(=O)Nc2scnc2C(C)C)c(O)c1 ZINC000836743109 630158259 /nfs/dbraw/zinc/15/82/59/630158259.db2.gz PMGBIDIJWBEGRQ-UHFFFAOYSA-N 0 0 321.402 3.302 20 10 DGCDRN COC1CCC(CC(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000121466308 630160306 /nfs/dbraw/zinc/16/03/06/630160306.db2.gz NLNSDISEFRSJHK-UHFFFAOYSA-N 0 0 322.424 3.103 20 10 DGCDRN C[C@H](NC(=O)COCC1CCCC1)c1ccc(N(C)C)cc1 ZINC000836783096 630162547 /nfs/dbraw/zinc/16/25/47/630162547.db2.gz QGEFQEJHFIRTBR-AWEZNQCLSA-N 0 0 304.434 3.137 20 10 DGCDRN COc1ccc(N(CC2CC2)C(=O)/C=C\c2cncc(O)c2)cc1 ZINC000836840787 630172250 /nfs/dbraw/zinc/17/22/50/630172250.db2.gz RZZWZJNQKXSHHH-WTKPLQERSA-N 0 0 324.380 3.252 20 10 DGCDRN Cc1ccc(C(=O)N2CC3(CCCC3)[C@H]2C(C)C)c(O)c1O ZINC000837192037 630225551 /nfs/dbraw/zinc/22/55/51/630225551.db2.gz QGYLDWMUIYYHSK-MRXNPFEDSA-N 0 0 303.402 3.447 20 10 DGCDRN Cc1cc(C)c(C)c(OCCC(=O)NCc2ccc(N)cc2)c1 ZINC000837302686 630237177 /nfs/dbraw/zinc/23/71/77/630237177.db2.gz CEIRNMAVOZPXKK-UHFFFAOYSA-N 0 0 312.413 3.279 20 10 DGCDRN C[C@H]1CCc2sc(C(=O)NCc3ccc(N)cc3)cc2C1 ZINC000837303554 630237586 /nfs/dbraw/zinc/23/75/86/630237586.db2.gz XNAAHQYTUXXTGK-NSHDSACASA-N 0 0 300.427 3.385 20 10 DGCDRN Nc1ccc(CNC(=O)[C@H]2C[C@]23CCCc2ccccc23)cc1 ZINC000837302765 630237604 /nfs/dbraw/zinc/23/76/04/630237604.db2.gz FWRDYZFXTPXDPE-QUCCMNQESA-N 0 0 306.409 3.179 20 10 DGCDRN CC[C@H](CC(F)F)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000837485958 630265763 /nfs/dbraw/zinc/26/57/63/630265763.db2.gz SIEBGBPIWVHERH-VHSXEESVSA-N 0 0 301.333 3.259 20 10 DGCDRN CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2C)SC1=S ZINC000840713643 630351389 /nfs/dbraw/zinc/35/13/89/630351389.db2.gz TZKPYDKJMZHXIT-UKTHLTGXSA-N 0 0 306.456 3.282 20 10 DGCDRN COc1cccnc1CNC(=S)Nc1cc(C)ccc1C ZINC000840825802 630362896 /nfs/dbraw/zinc/36/28/96/630362896.db2.gz MFWJLGYMHCHMTN-UHFFFAOYSA-N 0 0 301.415 3.194 20 10 DGCDRN CCNC(=O)c1cccc(NCc2ccc(N(C)C)cc2C)c1 ZINC000840921919 630379009 /nfs/dbraw/zinc/37/90/09/630379009.db2.gz AUPBTNRWOZDOMH-UHFFFAOYSA-N 0 0 311.429 3.423 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN[C@H](C)c1nnc(C(C)C)[nH]1 ZINC000840936306 630380584 /nfs/dbraw/zinc/38/05/84/630380584.db2.gz JADADXQPZVDUDA-CYBMUJFWSA-N 0 0 301.438 3.153 20 10 DGCDRN COc1c([O-])c(C[NH2+]C[C@H]2CCC[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000840954824 630384138 /nfs/dbraw/zinc/38/41/38/630384138.db2.gz OQQTYWXDTGRUEQ-TZMCWYRMSA-N 0 0 320.389 3.225 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cccc(Br)c1[O-])[C@H](O)C(C)C ZINC000840966465 630388387 /nfs/dbraw/zinc/38/83/87/630388387.db2.gz FYGVANRZJIEZPT-CHWSQXEVSA-N 0 0 316.239 3.040 20 10 DGCDRN CN(C)c1ccc(/C=C/C[NH2+][C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000840995943 630392638 /nfs/dbraw/zinc/39/26/38/630392638.db2.gz XCMWEVWULYJASG-MBNRZODZSA-N 0 0 324.424 3.051 20 10 DGCDRN Cc1ccc(O)c(C[NH2+][C@@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000840998348 630393429 /nfs/dbraw/zinc/39/34/29/630393429.db2.gz AIMGQGNNVSBLNC-KRWDZBQOSA-N 0 0 313.397 3.266 20 10 DGCDRN CCCCC1CCC(NC(=O)C(=O)Nc2ccc(N)cc2)CC1 ZINC000841020131 630396322 /nfs/dbraw/zinc/39/63/22/630396322.db2.gz KAQUSDATZQDESL-UHFFFAOYSA-N 0 0 317.433 3.073 20 10 DGCDRN CO[C@H](C)c1cccc(NC(=O)NCCc2ccc(N)cc2)c1 ZINC000841099109 630407431 /nfs/dbraw/zinc/40/74/31/630407431.db2.gz CXTHGCOQYKXJBP-CYBMUJFWSA-N 0 0 313.401 3.340 20 10 DGCDRN CCc1c(NC(=O)Nc2ccc(N)cc2)cnn1CC(C)C ZINC000841297132 630424601 /nfs/dbraw/zinc/42/46/01/630424601.db2.gz ANAXLHIPGJZNOL-UHFFFAOYSA-N 0 0 301.394 3.328 20 10 DGCDRN CC(C)(C)OC1CC(CCNC(=O)Nc2ccc(N)cc2)C1 ZINC000841297795 630424653 /nfs/dbraw/zinc/42/46/53/630424653.db2.gz VJNLFUBOHKIPOG-UHFFFAOYSA-N 0 0 305.422 3.374 20 10 DGCDRN COc1ccccc1[C@@H]1CCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000841300195 630424904 /nfs/dbraw/zinc/42/49/04/630424904.db2.gz MMJPDXGLCRVCDU-CYBMUJFWSA-N 0 0 311.385 3.299 20 10 DGCDRN C[C@H](NC(=O)Nc1ccc(N)cc1)[C@H]1OCCc2sccc21 ZINC000841299298 630425021 /nfs/dbraw/zinc/42/50/21/630425021.db2.gz IUNDGNQFWVRFSY-ZUZCIYMTSA-N 0 0 317.414 3.154 20 10 DGCDRN COc1ccccc1CC(C)(C)NC(=O)Nc1ccc(N)cc1 ZINC000841299612 630425081 /nfs/dbraw/zinc/42/50/81/630425081.db2.gz GGDNLOBMSOPRNX-UHFFFAOYSA-N 0 0 313.401 3.420 20 10 DGCDRN Nc1ccc(NC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)cc1 ZINC000841301526 630425337 /nfs/dbraw/zinc/42/53/37/630425337.db2.gz SICWRTKUUHSOIL-INIZCTEOSA-N 0 0 315.373 3.075 20 10 DGCDRN C[C@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@@H](c2ccccc2)O1 ZINC000841301250 630425449 /nfs/dbraw/zinc/42/54/49/630425449.db2.gz HDQLFEVMUMDOSY-GUYCJALGSA-N 0 0 311.385 3.263 20 10 DGCDRN COc1ccccc1CN(C(=O)Nc1ccc(N)cc1)C1CC1 ZINC000841301256 630425535 /nfs/dbraw/zinc/42/55/35/630425535.db2.gz HGQABHAKBSOYLR-UHFFFAOYSA-N 0 0 311.385 3.474 20 10 DGCDRN Cc1cccc2c1NC(=O)/C2=C\c1ccc(N2CCOCC2)cc1 ZINC000841488261 630441905 /nfs/dbraw/zinc/44/19/05/630441905.db2.gz KWSLLHXGSHUZBZ-AQTBWJFISA-N 0 0 320.392 3.324 20 10 DGCDRN Cc1nccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)n1 ZINC000841494402 630442114 /nfs/dbraw/zinc/44/21/14/630442114.db2.gz AVLWLOYYCOIFCI-UKTHLTGXSA-N 0 0 319.455 3.319 20 10 DGCDRN C[C@H](NC(=O)N1C[C@H](C)[C@@H](C)[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000841581958 630446215 /nfs/dbraw/zinc/44/62/15/630446215.db2.gz LUBOWNMUEAOWDO-XGUBFFRZSA-N 0 0 303.450 3.500 20 10 DGCDRN CO[C@@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)CC(C)C ZINC000841583997 630446516 /nfs/dbraw/zinc/44/65/16/630446516.db2.gz WTZJLOYXDMMTOS-RHSMWYFYSA-N 0 0 321.465 3.174 20 10 DGCDRN COCc1nc(CN[C@@H](C)c2ccc(Cl)cc2O)cs1 ZINC000841753264 630462214 /nfs/dbraw/zinc/46/22/14/630462214.db2.gz FTHMWFXUDLAAKF-VIFPVBQESA-N 0 0 312.822 3.499 20 10 DGCDRN C[C@H]([NH2+]CCCN1CCCCC1=O)c1ccc(Cl)cc1[O-] ZINC000841763961 630463243 /nfs/dbraw/zinc/46/32/43/630463243.db2.gz OPIMBRVHHTZHKJ-LBPRGKRZSA-N 0 0 310.825 3.099 20 10 DGCDRN C[C@H]([NH2+][C@H]1COCc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000841761658 630463280 /nfs/dbraw/zinc/46/32/80/630463280.db2.gz QQNQVGWETGHRSH-ZBEGNZNMSA-N 0 0 314.341 3.223 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccc(Cl)cc1[O-] ZINC000841765068 630463303 /nfs/dbraw/zinc/46/33/03/630463303.db2.gz UPTNFXOHLFGIGP-OBJOEFQTSA-N 0 0 324.852 3.343 20 10 DGCDRN COc1ccc(C[NH2+][C@@H](CC(=O)[O-])c2ccsc2)cc1C ZINC000841795420 630465561 /nfs/dbraw/zinc/46/55/61/630465561.db2.gz QTOAKCYIKMWRKK-AWEZNQCLSA-N 0 0 305.399 3.371 20 10 DGCDRN CN(C)c1ccc(C[NH2+][C@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000841804856 630466131 /nfs/dbraw/zinc/46/61/31/630466131.db2.gz HITSHURZMAYZSM-GOSISDBHSA-N 0 0 312.413 3.448 20 10 DGCDRN Cc1cccc([C@@H](C)NC(=O)NCCc2ccc(N)cc2)c1C ZINC000841826229 630469413 /nfs/dbraw/zinc/46/94/13/630469413.db2.gz FIEDSYILGYFONN-OAHLLOKOSA-N 0 0 311.429 3.489 20 10 DGCDRN CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@@H]1CC1(C)C ZINC000841890746 630473633 /nfs/dbraw/zinc/47/36/33/630473633.db2.gz KAZUZURKVHMNSG-RYUDHWBXSA-N 0 0 308.378 3.223 20 10 DGCDRN CC(C)[C@@H]1N(C(=O)NCCc2ccc(N)cc2)CC12CCCC2 ZINC000841955674 630476834 /nfs/dbraw/zinc/47/68/34/630476834.db2.gz JRCDWCHLWZYDKM-KRWDZBQOSA-N 0 0 315.461 3.422 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CCCc3sccc3C2)cc1 ZINC000841957042 630476881 /nfs/dbraw/zinc/47/68/81/630476881.db2.gz LZPWGJYAVLNTNN-UHFFFAOYSA-N 0 0 315.442 3.031 20 10 DGCDRN CCOC(=O)c1coc(NCc2ccc(N(CC)CC)cc2)n1 ZINC000842024303 630479675 /nfs/dbraw/zinc/47/96/75/630479675.db2.gz NTBVSRXHTDZQLI-UHFFFAOYSA-N 0 0 317.389 3.310 20 10 DGCDRN CCCNC(=O)c1ccc(NCc2c(O)cccc2OC)cc1 ZINC000842214657 630505717 /nfs/dbraw/zinc/50/57/17/630505717.db2.gz OCMVLDCQEYPPLI-UHFFFAOYSA-N 0 0 314.385 3.153 20 10 DGCDRN Cc1cc(C)c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)s1 ZINC000867302535 630563771 /nfs/dbraw/zinc/56/37/71/630563771.db2.gz QUNSTOXUSKRFMW-JTQLQIEISA-N 0 0 305.399 3.137 20 10 DGCDRN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1cc2n(n1)CCCC2 ZINC000842836028 630583007 /nfs/dbraw/zinc/58/30/07/630583007.db2.gz MDRGWWXGTJIGFF-CYBMUJFWSA-N 0 0 316.424 3.275 20 10 DGCDRN CC/C(C)=C/C(=O)OC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000842873759 630588072 /nfs/dbraw/zinc/58/80/72/630588072.db2.gz JJPWMHUPBZUZIM-GOFCXVBSSA-N 0 0 303.402 3.421 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)C3(C)CCC3)C2)cc1 ZINC000842880536 630589148 /nfs/dbraw/zinc/58/91/48/630589148.db2.gz ZEJNGJFLMLZAGY-CQSZACIVSA-N 0 0 303.402 3.255 20 10 DGCDRN CCOc1ccccc1NC(=O)NCc1cccc(OC)c1O ZINC000104976347 630600888 /nfs/dbraw/zinc/60/08/88/630600888.db2.gz WEVAAHHCUTWQSQ-UHFFFAOYSA-N 0 0 316.357 3.121 20 10 DGCDRN COc1cccc(CNC(=O)Nc2ccc(F)cc2C)c1O ZINC000104979791 630600999 /nfs/dbraw/zinc/60/09/99/630600999.db2.gz CRTJSUIDCDHNSM-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN Cn1c2ccc(OC(=O)C[C@H]3CCOC3)cc2c2c1CCCC2 ZINC000843020266 630604256 /nfs/dbraw/zinc/60/42/56/630604256.db2.gz DLPDUYQRXISFHE-CYBMUJFWSA-N 0 0 313.397 3.389 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000843047970 630608225 /nfs/dbraw/zinc/60/82/25/630608225.db2.gz FSQDJFUDZIFOBW-GJZGRUSLSA-N 0 0 312.816 3.291 20 10 DGCDRN CCOc1cccc(NC(=O)NCc2cccc(OC)c2O)c1 ZINC000105009379 630613797 /nfs/dbraw/zinc/61/37/97/630613797.db2.gz BWFGKEXCIZYCBY-UHFFFAOYSA-N 0 0 316.357 3.121 20 10 DGCDRN COc1cccc(CNC(=O)Nc2ccc3[nH]ccc3c2)c1O ZINC000105028077 630615942 /nfs/dbraw/zinc/61/59/42/630615942.db2.gz ANNVIMHUIUXHBT-UHFFFAOYSA-N 0 0 311.341 3.204 20 10 DGCDRN Cc1noc(C)c1[C@H](C)Cc1nc(Cc2ccc(N)cc2)no1 ZINC000843160161 630623427 /nfs/dbraw/zinc/62/34/27/630623427.db2.gz WFENNIZAMNVQOW-SNVBAGLBSA-N 0 0 312.373 3.194 20 10 DGCDRN Cc1nc(CC(C)C)oc1-c1nc(Cc2ccc(N)cc2)no1 ZINC000843160322 630623472 /nfs/dbraw/zinc/62/34/72/630623472.db2.gz HRJGBKVKMCYPFA-UHFFFAOYSA-N 0 0 312.373 3.405 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2cc(F)c(F)cc2F)cc1 ZINC000105047004 630634537 /nfs/dbraw/zinc/63/45/37/630634537.db2.gz UHPZPQFBAHBFSF-UHFFFAOYSA-N 0 0 323.318 3.492 20 10 DGCDRN Oc1cccc(Cl)c1CN1CCc2cc(Cl)nnc2C1 ZINC000843417891 630654256 /nfs/dbraw/zinc/65/42/56/630654256.db2.gz GAEGTNBXRVGAHH-UHFFFAOYSA-N 0 0 310.184 3.047 20 10 DGCDRN COc1cc(Cl)cc(CN2C[C@@H](C)OC3(CCC3)C2)c1O ZINC000843432596 630658351 /nfs/dbraw/zinc/65/83/51/630658351.db2.gz NZMNRKWWYZRAHN-LLVKDONJSA-N 0 0 311.809 3.198 20 10 DGCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)C2(F)CC2)cc1 ZINC000843527160 630666110 /nfs/dbraw/zinc/66/61/10/630666110.db2.gz INPKZARZKKUVSR-UHFFFAOYSA-N 0 0 316.376 3.377 20 10 DGCDRN COCC1(CC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CC1 ZINC000843527328 630666147 /nfs/dbraw/zinc/66/61/47/630666147.db2.gz IWYBXWIAKDAFKT-UHFFFAOYSA-N 0 0 318.461 3.306 20 10 DGCDRN COc1cccc(CNC(=O)[C@@H]2CCCC[C@@H]2C2CC2)c1O ZINC000843831895 630701808 /nfs/dbraw/zinc/70/18/08/630701808.db2.gz SIQVVXZESQWRLB-HUUCEWRRSA-N 0 0 303.402 3.233 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@@H]2CCCC[C@H]2C2CC2)c1 ZINC000843830284 630701814 /nfs/dbraw/zinc/70/18/14/630701814.db2.gz FMHPWJSQZSOETN-JKSUJKDBSA-N 0 0 303.402 3.233 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCC[C@@H]1C1CC1 ZINC000843851883 630701966 /nfs/dbraw/zinc/70/19/66/630701966.db2.gz SVIYKVGPTXQDKY-WQVCFCJDSA-N 0 0 317.429 3.361 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CO[C@H](C)C1 ZINC000844104070 630709389 /nfs/dbraw/zinc/70/93/89/630709389.db2.gz CNAHQYNAVGXZEU-OLZOCXBDSA-N 0 0 304.415 3.063 20 10 DGCDRN Cc1cc(C(=O)N[C@H]2CCS[C@H]2C)c(C)n1-c1ccccn1 ZINC000844115878 630709953 /nfs/dbraw/zinc/70/99/53/630709953.db2.gz PPOJCPMYZAQDPT-ZFWWWQNUSA-N 0 0 315.442 3.113 20 10 DGCDRN C[C@@H](C(=O)[O-])C1([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000844292057 630716070 /nfs/dbraw/zinc/71/60/70/630716070.db2.gz CRCXSDMFAZZZBM-AWEZNQCLSA-N 0 0 302.418 3.020 20 10 DGCDRN O=C([O-])[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)CC1CC1 ZINC000844291700 630716190 /nfs/dbraw/zinc/71/61/90/630716190.db2.gz YCXGNSJCVWYCJH-KRWDZBQOSA-N 0 0 316.445 3.267 20 10 DGCDRN C[C@H](NC(=O)Nc1ccc(F)nc1F)c1ccc(N(C)C)cc1 ZINC000844680800 630769884 /nfs/dbraw/zinc/76/98/84/630769884.db2.gz ZCAZNMRVZQQWNJ-JTQLQIEISA-N 0 0 320.343 3.309 20 10 DGCDRN CC[C@H](C(=O)OC(C)(C)C)N(C)Cc1cc(C)cc(OC)c1O ZINC000844759733 630845572 /nfs/dbraw/zinc/84/55/72/630845572.db2.gz RLWICUOKTYTZJT-CQSZACIVSA-N 0 0 323.433 3.261 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)c2sccc2C)cc1 ZINC000844852152 630943002 /nfs/dbraw/zinc/94/30/02/630943002.db2.gz MCWLCFDDUYMZIV-UHFFFAOYSA-N 0 0 318.442 3.274 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCCC(F)(F)C1 ZINC000844887751 630965481 /nfs/dbraw/zinc/96/54/81/630965481.db2.gz LRUBFEWNGSBAAR-UHFFFAOYSA-N 0 0 323.387 3.228 20 10 DGCDRN CS[C@@H]1CC[C@H](NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000845011606 631033575 /nfs/dbraw/zinc/03/35/75/631033575.db2.gz DWCOECUOSWYSIA-NWDGAFQWSA-N 0 0 314.838 3.129 20 10 DGCDRN CC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)[C@@H](C)CO1 ZINC000845125039 631086817 /nfs/dbraw/zinc/08/68/17/631086817.db2.gz KPUGBDOOLHZRDQ-JJRVBVJISA-N 0 0 319.449 3.023 20 10 DGCDRN CC(C)(CNC(=O)NCc1cc(Cl)ccc1O)C(F)(F)F ZINC000845178300 631126181 /nfs/dbraw/zinc/12/61/81/631126181.db2.gz OHUQTEPSCPYSSQ-UHFFFAOYSA-N 0 0 324.730 3.433 20 10 DGCDRN Cc1cc(CC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)on1 ZINC000845254129 631156343 /nfs/dbraw/zinc/15/63/43/631156343.db2.gz OTUSEECZZCOMGH-UHFFFAOYSA-N 0 0 315.417 3.029 20 10 DGCDRN CCCc1cc(NCc2cc(Cl)ccc2O)n2ncnc2n1 ZINC000845709076 631190571 /nfs/dbraw/zinc/19/05/71/631190571.db2.gz LWLCWNXEVCNMHU-UHFFFAOYSA-N 0 0 317.780 3.048 20 10 DGCDRN O=C(NCc1ccccc1O)[C@@H]1CSC[C@H]1c1ccccc1 ZINC000845833267 631198233 /nfs/dbraw/zinc/19/82/33/631198233.db2.gz JDKARWHETPXHDX-JKSUJKDBSA-N 0 0 313.422 3.155 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[C@H]2C2CCCC2)c1 ZINC000845834344 631198248 /nfs/dbraw/zinc/19/82/48/631198248.db2.gz SLRVMJDGJJKXGW-UVBJJODRSA-N 0 0 303.402 3.404 20 10 DGCDRN CCCNC(=O)c1ccc(NCc2cc(OC)ccc2O)cc1 ZINC000845991481 631204980 /nfs/dbraw/zinc/20/49/80/631204980.db2.gz TZZWZBJBPQAWGQ-UHFFFAOYSA-N 0 0 314.385 3.153 20 10 DGCDRN CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1cccc(Br)c1[O-] ZINC000846017137 631206242 /nfs/dbraw/zinc/20/62/42/631206242.db2.gz LJVPFQDTPUQZSJ-ZWNOBZJWSA-N 0 0 316.239 3.041 20 10 DGCDRN COc1cccc([C@@H](C)N[C@@H](CO)c2c(F)cccc2F)c1O ZINC000846151699 631212301 /nfs/dbraw/zinc/21/23/01/631212301.db2.gz DWNKRUIXENPILP-YGRLFVJLSA-N 0 0 323.339 3.063 20 10 DGCDRN CC[C@H]([NH2+][C@H](CO)CCF)c1ccc(Cl)c(Cl)c1[O-] ZINC000846208015 631214964 /nfs/dbraw/zinc/21/49/64/631214964.db2.gz FHLAAPMCHSIXRH-KWQFWETISA-N 0 0 310.196 3.460 20 10 DGCDRN CC(C)(C(=O)NCc1cc(Cl)ccc1O)c1cccnc1 ZINC000846473995 631249472 /nfs/dbraw/zinc/24/94/72/631249472.db2.gz PSVNLGGNLWQJEN-UHFFFAOYSA-N 0 0 304.777 3.035 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1noc2c1CCCCC2 ZINC000846473937 631249591 /nfs/dbraw/zinc/24/95/91/631249591.db2.gz ONGWKIUPEQSGQP-UHFFFAOYSA-N 0 0 320.776 3.233 20 10 DGCDRN CC[C@H]1C[C@@H](CC(=O)NCc2cc(Cl)ccc2O)CCO1 ZINC000846473056 631249867 /nfs/dbraw/zinc/24/98/67/631249867.db2.gz IBBCKTJQPNIDFW-FZMZJTMJSA-N 0 0 311.809 3.257 20 10 DGCDRN CC(C)c1ccc(C(=O)NCc2cc(Cl)ccc2O)cn1 ZINC000846477291 631250591 /nfs/dbraw/zinc/25/05/91/631250591.db2.gz RRLSMBWQFWPFSL-UHFFFAOYSA-N 0 0 304.777 3.494 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1CCCCCC(=O)C1 ZINC000846475670 631250760 /nfs/dbraw/zinc/25/07/60/631250760.db2.gz FALKFRBPKYDEKH-NSHDSACASA-N 0 0 309.793 3.201 20 10 DGCDRN Cc1oc(C2CC2)nc1C(=O)NCc1cc(Cl)ccc1O ZINC000846475262 631250763 /nfs/dbraw/zinc/25/07/63/631250763.db2.gz BDFWOPCKTUDUAK-UHFFFAOYSA-N 0 0 306.749 3.149 20 10 DGCDRN Cc1nc(C(C)C)oc1C(=O)NCc1cc(Cl)ccc1O ZINC000846476039 631250775 /nfs/dbraw/zinc/25/07/75/631250775.db2.gz IJHJPLDNKIISKM-UHFFFAOYSA-N 0 0 308.765 3.395 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1CCCC(F)(F)C1 ZINC000846475944 631250864 /nfs/dbraw/zinc/25/08/64/631250864.db2.gz HDCKITAPMYRWKH-VIFPVBQESA-N 0 0 303.736 3.487 20 10 DGCDRN CC(C)Oc1ncccc1C(=O)NCc1cc(Cl)ccc1O ZINC000846477669 631251137 /nfs/dbraw/zinc/25/11/37/631251137.db2.gz UXLZFHMZSHPTNE-UHFFFAOYSA-N 0 0 320.776 3.158 20 10 DGCDRN Cc1cc(C(=O)N(C)[C@@H](C)CCO)c(C)n1-c1ccccc1C ZINC000846602812 631273204 /nfs/dbraw/zinc/27/32/04/631273204.db2.gz WPHDUEHOSCOGQG-AWEZNQCLSA-N 0 0 314.429 3.245 20 10 DGCDRN COc1ccccc1CC(C)(C)NC(=O)C1=CC(=O)CS1 ZINC000846654061 631279103 /nfs/dbraw/zinc/27/91/03/631279103.db2.gz CZYBQSTTXBTMJX-UHFFFAOYSA-N 0 0 305.399 3.213 20 10 DGCDRN CC[C@H](OCCNC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000846657778 631280350 /nfs/dbraw/zinc/28/03/50/631280350.db2.gz GGDZLEPWTSEXML-AWEZNQCLSA-N 0 0 305.399 3.351 20 10 DGCDRN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2C(=O)C2=CC(=O)CS2)C1 ZINC000846972127 631370240 /nfs/dbraw/zinc/37/02/40/631370240.db2.gz MATNVXCITVQLSD-BEAPCOKYSA-N 0 0 323.458 3.246 20 10 DGCDRN CN(Cc1ncnn1CCF)c1ccc(-c2nccs2)cc1 ZINC000846990866 631375304 /nfs/dbraw/zinc/37/53/04/631375304.db2.gz CSXXYMPXFJTYRL-UHFFFAOYSA-N 0 0 317.393 3.008 20 10 DGCDRN CN(CC(=O)NCC1CCC1)c1ccc(-c2nccs2)cc1 ZINC000846996357 631376893 /nfs/dbraw/zinc/37/68/93/631376893.db2.gz RILKXJCAYCHJPA-UHFFFAOYSA-N 0 0 315.442 3.163 20 10 DGCDRN C/C(=C/c1ccccn1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000847338557 631462818 /nfs/dbraw/zinc/46/28/18/631462818.db2.gz JQFNNOHIXQYFHN-PEZBUJJGSA-N 0 0 321.424 3.402 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C(C)=O)cs2)c1 ZINC000106917596 631483310 /nfs/dbraw/zinc/48/33/10/631483310.db2.gz BNAANBLKILZINK-SECBINFHSA-N 0 0 319.382 3.156 20 10 DGCDRN O=C(NCc1ccccc1O)c1cc(Cl)nc(C2CC2)c1 ZINC000847590073 631494038 /nfs/dbraw/zinc/49/40/38/631494038.db2.gz UGLVRNMQFXVXDH-UHFFFAOYSA-N 0 0 302.761 3.248 20 10 DGCDRN C[C@H](Cc1ccccn1)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000848567386 631695879 /nfs/dbraw/zinc/69/58/79/631695879.db2.gz TXONUPWHSWAYQK-SNVBAGLBSA-N 0 0 321.764 3.070 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(Cl)ccc1O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848640648 631715419 /nfs/dbraw/zinc/71/54/19/631715419.db2.gz TUVUIQIOCSDIQR-TVYUQYBPSA-N 0 0 311.809 3.271 20 10 DGCDRN CCOc1ccc(C[NH2+][C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c(O)c1 ZINC000848640908 631715539 /nfs/dbraw/zinc/71/55/39/631715539.db2.gz VXLREZMVCZESBA-BYCMXARLSA-N 0 0 321.417 3.016 20 10 DGCDRN O=C([O-])C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)C1CCC1 ZINC000848639770 631715840 /nfs/dbraw/zinc/71/58/40/631715840.db2.gz LHEVBZPZADCVMW-UHFFFAOYSA-N 0 0 311.381 3.498 20 10 DGCDRN CCc1cccc(CN2CCN([C@@H](C)C(F)(F)F)CC2)c1O ZINC000848890611 631774138 /nfs/dbraw/zinc/77/41/38/631774138.db2.gz SPKPTSNYFDHROO-LBPRGKRZSA-N 0 0 316.367 3.023 20 10 DGCDRN CCc1cccc(CNc2ccc(OCCO)c(C)c2)c1O ZINC000848901917 631779407 /nfs/dbraw/zinc/77/94/07/631779407.db2.gz GGIPTQXGAXEVLZ-UHFFFAOYSA-N 0 0 301.386 3.246 20 10 DGCDRN CCc1cccc(CNc2ccc(NC(=O)C3CC3)nc2)c1O ZINC000848900643 631780147 /nfs/dbraw/zinc/78/01/47/631780147.db2.gz IMIIPURUTOJKSV-UHFFFAOYSA-N 0 0 311.385 3.310 20 10 DGCDRN CCOC(=O)[C@H](NCc1cccc(CC)c1O)c1ccccc1 ZINC000848903792 631780416 /nfs/dbraw/zinc/78/04/16/631780416.db2.gz DMSRDOVNGSGHKU-QGZVFWFLSA-N 0 0 313.397 3.349 20 10 DGCDRN CCc1cccc(CN2C[C@@H](C)NC(=O)c3ccccc32)c1O ZINC000848913102 631784167 /nfs/dbraw/zinc/78/41/67/631784167.db2.gz OEJMYMFIGZJJKQ-CYBMUJFWSA-N 0 0 310.397 3.093 20 10 DGCDRN C[C@H](c1ccccc1)[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C(=O)[O-] ZINC000849230163 631859705 /nfs/dbraw/zinc/85/97/05/631859705.db2.gz CGBKMBUSHVGMOX-KDOFPFPSSA-N 0 0 312.413 3.099 20 10 DGCDRN CN1C(=O)/C(=C/c2cn(C3CCC3)nn2)c2cc(Cl)ccc21 ZINC000849247581 631864353 /nfs/dbraw/zinc/86/43/53/631864353.db2.gz CXXMLQQWULKNJN-RIYZIHGNSA-N 0 0 314.776 3.174 20 10 DGCDRN CCCCS(=O)(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108403633 631867793 /nfs/dbraw/zinc/86/77/93/631867793.db2.gz IQJDPGHYNBPQKH-UHFFFAOYSA-N 0 0 324.490 3.142 20 10 DGCDRN CC[C@H](C)CCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000849359493 631902591 /nfs/dbraw/zinc/90/25/91/631902591.db2.gz QZWSRXSGGBRVKB-NSHDSACASA-N 0 0 324.808 3.246 20 10 DGCDRN CC(C)CCOCCNC(=O)CSc1ncc(Cl)s1 ZINC000849999827 632025414 /nfs/dbraw/zinc/02/54/14/632025414.db2.gz ZIUBPTCEXVTAHU-UHFFFAOYSA-N 0 0 322.883 3.068 20 10 DGCDRN CCC(CC)(C(=O)CSc1ncc(Cl)s1)C(=O)OC ZINC000850000066 632025749 /nfs/dbraw/zinc/02/57/49/632025749.db2.gz ICBFOFAZBQDMFF-UHFFFAOYSA-N 0 0 321.851 3.437 20 10 DGCDRN COc1cc(CN[C@@H](C)c2csnn2)c(O)c(C(C)(C)C)c1 ZINC000850326823 632114144 /nfs/dbraw/zinc/11/41/44/632114144.db2.gz CNOJMVCHCBSJCB-JTQLQIEISA-N 0 0 321.446 3.401 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2COC(C)(C)C2)c1 ZINC000850342589 632119468 /nfs/dbraw/zinc/11/94/68/632119468.db2.gz TZBCCPKMMKHHMA-NSHDSACASA-N 0 0 314.223 3.120 20 10 DGCDRN COc1cccc(O)c1CNCC(F)(F)c1cccc(F)c1 ZINC000850354513 632123004 /nfs/dbraw/zinc/12/30/04/632123004.db2.gz LOGCWZHLMFLHII-UHFFFAOYSA-N 0 0 311.303 3.422 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000850373178 632130105 /nfs/dbraw/zinc/13/01/05/632130105.db2.gz DHGBBTYOSHMBKS-UKRRQHHQSA-N 0 0 307.752 3.453 20 10 DGCDRN C[C@@]1(CC[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1(F)F ZINC000850381048 632133356 /nfs/dbraw/zinc/13/33/56/632133356.db2.gz VAJPQVLTCDSJPP-GFCCVEGCSA-N 0 0 320.723 3.479 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])C1(CO)CC1 ZINC000850515421 632176685 /nfs/dbraw/zinc/17/66/85/632176685.db2.gz KUIIDNMLKAZXLM-VHSXEESVSA-N 0 0 303.324 3.223 20 10 DGCDRN C[C@H]([NH2+][C@@H]1C[C@H](O)c2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000850529135 632181611 /nfs/dbraw/zinc/18/16/11/632181611.db2.gz PJHSBVYEFXXIGC-OBPXBXINSA-N 0 0 305.324 3.499 20 10 DGCDRN CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000850569739 632197537 /nfs/dbraw/zinc/19/75/37/632197537.db2.gz AKTMIAGCRCSJMT-CQOUMUIBSA-N 0 0 318.186 3.122 20 10 DGCDRN C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000850574646 632199525 /nfs/dbraw/zinc/19/95/25/632199525.db2.gz ZXQDAALQVVJWIR-PEBVRCNWSA-N 0 0 321.367 3.486 20 10 DGCDRN Nc1ccc(NC(=O)N2CCC([C@H]3CCCCO3)CC2)cc1 ZINC000850750777 632214811 /nfs/dbraw/zinc/21/48/11/632214811.db2.gz OQESRWNMSKLGGO-MRXNPFEDSA-N 0 0 303.406 3.082 20 10 DGCDRN Nc1ccc(CCNC(=O)C[C@]23CCCC[C@H]2C3(F)F)cc1 ZINC000851632522 632462503 /nfs/dbraw/zinc/46/25/03/632462503.db2.gz RHVYAZJNUWLQNK-GDBMZVCRSA-N 0 0 308.372 3.143 20 10 DGCDRN Cc1cc(F)ccc1C[C@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000851641655 632465259 /nfs/dbraw/zinc/46/52/59/632465259.db2.gz ODTYQKVGKGVHSP-ZDUSSCGKSA-N 0 0 300.377 3.006 20 10 DGCDRN CCCN(Cc1ccccc1F)C(=O)Cc1ccc(N)cc1 ZINC000851645260 632465903 /nfs/dbraw/zinc/46/59/03/632465903.db2.gz BATYZNJLUIMFBN-UHFFFAOYSA-N 0 0 300.377 3.389 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CCC(C3CCC3)CC2)cc1 ZINC000851662634 632468116 /nfs/dbraw/zinc/46/81/16/632468116.db2.gz GGSMYKSTLHCXNU-UHFFFAOYSA-N 0 0 301.434 3.033 20 10 DGCDRN Cc1cc(C[N@@H+]2[C@H](C)CC[C@H](C(=O)[O-])[C@@H]2C)ccc1N(C)C ZINC000851708610 632471528 /nfs/dbraw/zinc/47/15/28/632471528.db2.gz JPPAKLZTBBOVQB-YCPHGPKFSA-N 0 0 304.434 3.135 20 10 DGCDRN Oc1ccccc1C[N@@H+](C[C@H]1CCCO1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000851841367 632506469 /nfs/dbraw/zinc/50/64/69/632506469.db2.gz PUKGCEFSOLFVSS-BZZMCLGOSA-N 0 0 301.430 3.419 20 10 DGCDRN COCCN(Cc1ccsc1)c1ccc(OC)c(OC)c1 ZINC000851847001 632507708 /nfs/dbraw/zinc/50/77/08/632507708.db2.gz MXFLLTGAFSLANK-UHFFFAOYSA-N 0 0 307.415 3.418 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CCn2ccc3ccccc32)cc1 ZINC000008171701 632545626 /nfs/dbraw/zinc/54/56/26/632545626.db2.gz HGJQKXULXXARGQ-UHFFFAOYSA-N 0 0 321.424 3.414 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1C=CCC1 ZINC000852385427 632598050 /nfs/dbraw/zinc/59/80/50/632598050.db2.gz PQQSQAUBWUQWLN-GOEBONIOSA-N 0 0 301.434 3.010 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1C=CCC1 ZINC000852385428 632598348 /nfs/dbraw/zinc/59/83/48/632598348.db2.gz PQQSQAUBWUQWLN-HOCLYGCPSA-N 0 0 301.434 3.010 20 10 DGCDRN Cc1nnc(CN(C)Cc2ccc(N3CCCCC3)c(C)c2)o1 ZINC000852471312 632607992 /nfs/dbraw/zinc/60/79/92/632607992.db2.gz KJTXCZYJJMTUOM-UHFFFAOYSA-N 0 0 314.433 3.309 20 10 DGCDRN C[C@H]1c2ccccc2C[C@H]1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000852527094 632618363 /nfs/dbraw/zinc/61/83/63/632618363.db2.gz BSUSHSXQZLBNDG-IFXJQAMLSA-N 0 0 323.440 3.280 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21 ZINC000058769498 659106083 /nfs/dbraw/zinc/10/60/83/659106083.db2.gz IAUVZDJDHWCFIU-UHFFFAOYSA-N 0 0 319.408 3.480 20 10 DGCDRN CCOc1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2)c(C)c1 ZINC000182476626 660056696 /nfs/dbraw/zinc/05/66/96/660056696.db2.gz FEKYPDMEACWHQI-UHFFFAOYSA-N 0 0 321.398 3.209 20 10 DGCDRN C[C@H]1CCCCN(C(=O)NCCCSc2nccs2)C1 ZINC000185648775 660235420 /nfs/dbraw/zinc/23/54/20/660235420.db2.gz QKEPRYQXDNZYIV-LBPRGKRZSA-N 0 0 313.492 3.457 20 10 DGCDRN CCn1c(C)cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1C ZINC000073092321 660240126 /nfs/dbraw/zinc/24/01/26/660240126.db2.gz LMUUWIROHDKVPX-UHFFFAOYSA-N 0 0 313.445 3.463 20 10 DGCDRN COc1cccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)O2)c1 ZINC000000176372 660314478 /nfs/dbraw/zinc/31/44/78/660314478.db2.gz RLBRMSLPHMHLMC-GZTJUZNOSA-N 0 0 322.364 3.106 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/C1CCCCC1 ZINC000186440839 660436224 /nfs/dbraw/zinc/43/62/24/660436224.db2.gz GLLGDACHCYRQKI-FROQITRMSA-N 0 0 303.402 3.282 20 10 DGCDRN O=C(/C=C/c1cccnc1)N1CCN(C2CC2)c2ccccc21 ZINC000186812474 660575801 /nfs/dbraw/zinc/57/58/01/660575801.db2.gz OXKGWIAJDZNKIG-JXMROGBWSA-N 0 0 305.381 3.110 20 10 DGCDRN C[C@H](NC(=O)c1cccc(O)c1O)c1cccc(OC(F)F)c1 ZINC000186940789 660593529 /nfs/dbraw/zinc/59/35/29/660593529.db2.gz HZSGBTQQHPETQL-VIFPVBQESA-N 0 0 323.295 3.190 20 10 DGCDRN CC[C@@]1(C)COCCN1Cc1c(O)cccc1Br ZINC000707129705 660889696 /nfs/dbraw/zinc/88/96/96/660889696.db2.gz LLHLUCPAEBHIHP-AWEZNQCLSA-N 0 0 314.223 3.156 20 10 DGCDRN CC[C@H]1CO[C@@H](C)CN1Cc1c(O)cccc1Br ZINC000707146665 660893558 /nfs/dbraw/zinc/89/35/58/660893558.db2.gz QDPJWOLCPRYMHV-QWRGUYRKSA-N 0 0 314.223 3.154 20 10 DGCDRN C[C@@H](O)C[C@H](C)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708097939 660918123 /nfs/dbraw/zinc/91/81/23/660918123.db2.gz ATUDMRWGGNALMD-JGVFFNPUSA-N 0 0 322.630 3.057 20 10 DGCDRN O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)c1cccc(O)c1O ZINC000187209260 660968338 /nfs/dbraw/zinc/96/83/38/660968338.db2.gz BKEPUSPZUQHEJB-UHFFFAOYSA-N 0 0 319.267 3.164 20 10 DGCDRN CCc1ccc(S(=O)(=O)Nc2ccc(O)cc2SC)cc1 ZINC000792703549 660980449 /nfs/dbraw/zinc/98/04/49/660980449.db2.gz ZEEDYCQFOSMWDJ-UHFFFAOYSA-N 0 0 323.439 3.477 20 10 DGCDRN CC(C)C[C@H](C)n1nccc1NC(=O)c1cccc(O)c1O ZINC000792803778 660985532 /nfs/dbraw/zinc/98/55/32/660985532.db2.gz WLBSZIUELOPPGK-NSHDSACASA-N 0 0 303.362 3.154 20 10 DGCDRN COc1ccc(CNC(=O)NC[C@H]2CCCC[C@@H]2C)c(O)c1 ZINC000792918528 660993621 /nfs/dbraw/zinc/99/36/21/660993621.db2.gz UFKTYSXEGJMAJT-QWHCGFSZSA-N 0 0 306.406 3.026 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CC(C3CCCC3)C2)cc1F ZINC000792951485 660996631 /nfs/dbraw/zinc/99/66/31/660996631.db2.gz GPDVABWZGZWPCG-UHFFFAOYSA-N 0 0 319.424 3.223 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC(F)(F)CC1 ZINC000792955953 660996809 /nfs/dbraw/zinc/99/68/09/660996809.db2.gz COPGQFNGXLADRZ-UHFFFAOYSA-N 0 0 321.371 3.004 20 10 DGCDRN CC[C@H](C)[C@@H](OC)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000792989103 660998825 /nfs/dbraw/zinc/99/88/25/660998825.db2.gz YYZCTWVMNYGRAF-KBXCAEBGSA-N 0 0 318.461 3.305 20 10 DGCDRN COc1ccc(CNC(=O)NCC(C)(C)C2CCCC2)c(O)c1 ZINC000793019930 661000442 /nfs/dbraw/zinc/00/04/42/661000442.db2.gz WAWNAEYCJKJGFT-UHFFFAOYSA-N 0 0 320.433 3.416 20 10 DGCDRN C[C@@H](NC(=O)N1CCC(F)(F)CC1)c1ccc(N(C)C)cc1 ZINC000793061377 661003126 /nfs/dbraw/zinc/00/31/26/661003126.db2.gz HNJZAWIFCVLICV-GFCCVEGCSA-N 0 0 311.376 3.254 20 10 DGCDRN CC[C@H](C)[C@@H](OC)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000793241370 661016927 /nfs/dbraw/zinc/01/69/27/661016927.db2.gz NIKSZCCKMRFGAX-MAUKXSAKSA-N 0 0 318.461 3.354 20 10 DGCDRN O=C(C[C@H]1CCCOC1)NCc1ccc(N2CCCCC2)cc1 ZINC000793243826 661017341 /nfs/dbraw/zinc/01/73/41/661017341.db2.gz YHOAPVLQXLGZSY-QGZVFWFLSA-N 0 0 316.445 3.110 20 10 DGCDRN Cc1cccc(CNc2ccc(F)c(N3CCOC3=O)c2)c1O ZINC000793321199 661023988 /nfs/dbraw/zinc/02/39/88/661023988.db2.gz WRWHVDRPXZGPDC-UHFFFAOYSA-N 0 0 316.332 3.408 20 10 DGCDRN COc1c([O-])c(C[N@H+](CC2CC2)C2CCC2)ccc1[N+](=O)[O-] ZINC000793393122 661029614 /nfs/dbraw/zinc/02/96/14/661029614.db2.gz CQXZYDOATKZXIH-UHFFFAOYSA-N 0 0 306.362 3.074 20 10 DGCDRN CC[C@H](C)CC[C@H](O)CC(=O)NCc1ccc(N(C)C)cc1C ZINC000793517956 661040458 /nfs/dbraw/zinc/04/04/58/661040458.db2.gz YLBUCLWAVRSDPW-KSSFIOAISA-N 0 0 320.477 3.255 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)C(F)(F)Cc1ccccc1 ZINC000793658399 661052359 /nfs/dbraw/zinc/05/23/59/661052359.db2.gz TXBTUFOFDVJFNC-UHFFFAOYSA-N 0 0 305.324 3.229 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@H](F)CC2CCCCC2)c1 ZINC000793688387 661053215 /nfs/dbraw/zinc/05/32/15/661053215.db2.gz FUJLPZNHBHYJDL-OAHLLOKOSA-N 0 0 309.381 3.326 20 10 DGCDRN O=C(NCc1ccccc1O)c1cc(O)ccc1C(F)(F)F ZINC000793682043 661053337 /nfs/dbraw/zinc/05/33/37/661053337.db2.gz RIKBRGPSDLZCKA-UHFFFAOYSA-N 0 0 311.259 3.047 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2[nH]ccc2s1 ZINC000793795491 661057430 /nfs/dbraw/zinc/05/74/30/661057430.db2.gz DZIDPDGQULIHRM-VIFPVBQESA-N 0 0 316.382 3.002 20 10 DGCDRN O=C(NCCC1(F)CCC1)NCc1c(O)ccc2c1CCCC2 ZINC000806042364 661071352 /nfs/dbraw/zinc/07/13/52/661071352.db2.gz ULMVMAKHNFOQQS-UHFFFAOYSA-N 0 0 320.408 3.353 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ncccc1Cl ZINC000794220466 661073249 /nfs/dbraw/zinc/07/32/49/661073249.db2.gz GAODFIWRPCSUKI-UHFFFAOYSA-N 0 0 315.804 3.265 20 10 DGCDRN COc1ccc(CNC(=O)/C=C\c2ccc(Cl)s2)c(O)c1 ZINC000794378052 661081731 /nfs/dbraw/zinc/08/17/31/661081731.db2.gz XBNDJAOCWJFMEF-ALCCZGGFSA-N 0 0 323.801 3.445 20 10 DGCDRN COc1ccc(CNC(=O)Cc2c[nH]c3c2cccc3C)c(O)c1 ZINC000794379540 661081803 /nfs/dbraw/zinc/08/18/03/661081803.db2.gz PHYUSYAEAIMXHB-UHFFFAOYSA-N 0 0 324.380 3.049 20 10 DGCDRN COc1ccc(CNC(=O)/C(C)=C/c2ccc(F)cc2)c(O)c1 ZINC000794381116 661081847 /nfs/dbraw/zinc/08/18/47/661081847.db2.gz LCPVQMXDYHBZKG-FMIVXFBMSA-N 0 0 315.344 3.260 20 10 DGCDRN COc1ccc(CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)c(O)c1 ZINC000794381806 661081957 /nfs/dbraw/zinc/08/19/57/661081957.db2.gz OKRZQFFBMZMLGE-UHFFFAOYSA-N 0 0 324.380 3.429 20 10 DGCDRN COc1ccc(CNC(=O)C2C3CC4CC(C3)CC2C4)c(O)c1 ZINC000794382837 661082116 /nfs/dbraw/zinc/08/21/16/661082116.db2.gz JGZNBDYYEMKSBG-UHFFFAOYSA-N 0 0 315.413 3.089 20 10 DGCDRN COc1ccc(CNC(=O)c2cc(F)cc(Cl)c2)c(O)c1 ZINC000794387697 661082518 /nfs/dbraw/zinc/08/25/18/661082518.db2.gz JUWJKUFMOLKWMD-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN COc1ccc(CNC(=O)c2ccc(CSC)cc2)c(O)c1 ZINC000794389434 661082712 /nfs/dbraw/zinc/08/27/12/661082712.db2.gz OAZPBFOFZWXXOR-UHFFFAOYSA-N 0 0 317.410 3.194 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3ncccc3Cl)ccc21 ZINC000794260964 661075129 /nfs/dbraw/zinc/07/51/29/661075129.db2.gz JTJWMPCXOUOBHB-UHFFFAOYSA-N 0 0 315.804 3.047 20 10 DGCDRN CN1C(=O)/C(=C/c2cscc2Br)SC1=S ZINC000794681532 661098855 /nfs/dbraw/zinc/09/88/55/661098855.db2.gz SKHRZNVBVPPMNT-UQCOIBPSSA-N 0 0 320.258 3.342 20 10 DGCDRN COc1ccc(CNC(=O)Nc2ccc(F)c(F)c2)c(O)c1 ZINC000794762230 661104425 /nfs/dbraw/zinc/10/44/25/661104425.db2.gz OVJWBOGABASRLS-UHFFFAOYSA-N 0 0 308.284 3.001 20 10 DGCDRN CC[C@@H]1OCC[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000795396702 661145573 /nfs/dbraw/zinc/14/55/73/661145573.db2.gz OZOPUVKIBHKFIW-MSOLQXFVSA-N 0 0 318.461 3.305 20 10 DGCDRN Cc1cc(C(=O)OCc2ccccn2)c(C)n1-c1ccccn1 ZINC000120088677 655525164 /nfs/dbraw/zinc/52/51/64/655525164.db2.gz MQFMKSJWNBGCSU-UHFFFAOYSA-N 0 0 307.353 3.241 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)/C=C/c2ccc[nH]2)cc1F ZINC000187834627 655528308 /nfs/dbraw/zinc/52/83/08/655528308.db2.gz JEQDLMPOPVIELE-CSKARUKUSA-N 0 0 315.392 3.330 20 10 DGCDRN Cc1c2ccccc2oc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000120425771 655546739 /nfs/dbraw/zinc/54/67/39/655546739.db2.gz BSXCVCUWXOQWIZ-UHFFFAOYSA-N 0 0 311.337 3.125 20 10 DGCDRN C[C@H](CC(=O)NCc1ccc2c(c1)CCCN2C)c1ccncc1 ZINC000160277706 655582923 /nfs/dbraw/zinc/58/29/23/655582923.db2.gz MHJNYFUKIGVWAC-OAHLLOKOSA-N 0 0 323.440 3.274 20 10 DGCDRN Cc1ccc(-c2nc(C=C3SC(=S)NC3=O)co2)cc1 ZINC000255119946 655604191 /nfs/dbraw/zinc/60/41/91/655604191.db2.gz JMROUNREERKKMK-WDZFZDKYSA-N 0 0 302.380 3.139 20 10 DGCDRN Cc1cc(CN[C@H]([C@@H]2CCOC2)C(F)(F)F)ccc1N(C)C ZINC000933007277 655670319 /nfs/dbraw/zinc/67/03/19/655670319.db2.gz JHFDITVWYUQJAB-UKRRQHHQSA-N 0 0 316.367 3.118 20 10 DGCDRN Oc1ccccc1CNc1ncnc2c1cnn2-c1ccccc1 ZINC000325961321 655674549 /nfs/dbraw/zinc/67/45/49/655674549.db2.gz RJXRTRHMNAAFMR-UHFFFAOYSA-N 0 0 317.352 3.133 20 10 DGCDRN COc1ccc(N(CC(=O)N2CCCC2)Cc2ccccc2)cc1 ZINC000096982110 655698982 /nfs/dbraw/zinc/69/89/82/655698982.db2.gz WFLHPADOWPCYSU-UHFFFAOYSA-N 0 0 324.424 3.324 20 10 DGCDRN COc1ccc(C)c2c1N(C(=O)/C=C\c1cccnc1)CCC2 ZINC000255374977 655720649 /nfs/dbraw/zinc/72/06/49/655720649.db2.gz MMZWGGWLWFVJIV-NTMALXAHSA-N 0 0 308.381 3.391 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cccc3[nH]ccc32)c1 ZINC000176152278 655737937 /nfs/dbraw/zinc/73/79/37/655737937.db2.gz LEDBYJCZXRAGDL-NSHDSACASA-N 0 0 310.353 3.373 20 10 DGCDRN COc1ccc(O)c(CNC(=O)C2(Cc3ccccc3)CC2)c1 ZINC000176295642 655747204 /nfs/dbraw/zinc/74/72/04/655747204.db2.gz BHAOTIHFJMVLNJ-UHFFFAOYSA-N 0 0 311.381 3.040 20 10 DGCDRN Oc1cccc(Cl)c1CNCC(F)(F)Br ZINC000308923853 655759538 /nfs/dbraw/zinc/75/95/38/655759538.db2.gz JUBKJHNDIRYSLV-UHFFFAOYSA-N 0 0 300.530 3.123 20 10 DGCDRN O=C(/C=C\c1ccc(Cl)nc1)N1CCOc2ccc(F)cc21 ZINC000255470644 655757438 /nfs/dbraw/zinc/75/74/38/655757438.db2.gz FDZGUHHTJWQXRT-KXFIGUGUSA-N 0 0 318.735 3.313 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)C3CC(C)(C)C3)CC2)cc1 ZINC000795995867 661183968 /nfs/dbraw/zinc/18/39/68/661183968.db2.gz YNGFBZGSMQRONG-UHFFFAOYSA-N 0 0 316.445 3.216 20 10 DGCDRN C[C@@H](NC(=O)Nc1ccnn1C1CC1)c1ccc(N(C)C)cc1 ZINC000934525708 655783772 /nfs/dbraw/zinc/78/37/72/655783772.db2.gz BVNDCAAYSXBYBB-GFCCVEGCSA-N 0 0 313.405 3.167 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@]1(C)CCOc2ccccc21 ZINC000934705409 655796260 /nfs/dbraw/zinc/79/62/60/655796260.db2.gz ZXXMBJJLPDIRMH-LJQANCHMSA-N 0 0 311.381 3.091 20 10 DGCDRN O=C(Nc1cccc(N2CCOCC2)c1)c1ccc2cc[nH]c2c1 ZINC000131843517 655833409 /nfs/dbraw/zinc/83/34/09/655833409.db2.gz ZKXAQJCPOVJGAQ-UHFFFAOYSA-N 0 0 321.380 3.257 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(Cl)nc2C)c1 ZINC000162190104 655850998 /nfs/dbraw/zinc/85/09/98/655850998.db2.gz PAMBVZKGKLHYHK-SNVBAGLBSA-N 0 0 320.776 3.249 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1ccc(Cl)cc1Cl ZINC000158902772 655861823 /nfs/dbraw/zinc/86/18/23/655861823.db2.gz VOHLTCQVBFCQBM-UHFFFAOYSA-N 0 0 312.152 3.335 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)/C=C\c2cnc(C)s2)c1 ZINC000255613102 655870543 /nfs/dbraw/zinc/87/05/43/655870543.db2.gz VDCTXGJFJPOAEP-BXKUYDPTSA-N 0 0 318.398 3.056 20 10 DGCDRN C[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1cc(F)ccc1O ZINC000176980635 655885502 /nfs/dbraw/zinc/88/55/02/655885502.db2.gz XZXDLEGXZSFYGM-GFCCVEGCSA-N 0 0 317.360 3.196 20 10 DGCDRN O=C(/C=C\c1ccc(Cl)nc1)N1CCOc2cccc(F)c21 ZINC000255831811 655908498 /nfs/dbraw/zinc/90/84/98/655908498.db2.gz MODKNTDDSRACHQ-ALCCZGGFSA-N 0 0 318.735 3.313 20 10 DGCDRN CC1(CCC(=O)NCc2cccc(Br)c2O)CC1 ZINC000935662197 655949542 /nfs/dbraw/zinc/94/95/42/655949542.db2.gz AEIBTPPMIGBLCO-UHFFFAOYSA-N 0 0 312.207 3.351 20 10 DGCDRN C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccc(N2CCCC2)cc1 ZINC000178196450 655959841 /nfs/dbraw/zinc/95/98/41/655959841.db2.gz SWHMMVNUPHVHHQ-QAPCUYQASA-N 0 0 316.445 3.361 20 10 DGCDRN O=C(/C=C\c1cccnc1)N1CCOc2ccc(Cl)cc21 ZINC000255904371 655963953 /nfs/dbraw/zinc/96/39/53/655963953.db2.gz TWAHLNOFFCSXKD-UTCJRWHESA-N 0 0 300.745 3.174 20 10 DGCDRN Cc1ccc(NC(=O)NCCCSc2nccs2)cn1 ZINC000162049459 655964993 /nfs/dbraw/zinc/96/49/93/655964993.db2.gz IVHZINZTUQGVJN-UHFFFAOYSA-N 0 0 308.432 3.150 20 10 DGCDRN CC(=O)CCCCCCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000162499034 655966569 /nfs/dbraw/zinc/96/65/69/655966569.db2.gz SLOFGRFVWRKWMR-UHFFFAOYSA-N 0 0 322.424 3.438 20 10 DGCDRN Cc1ccc2c(c1)O[C@H](C)CN2C(=O)/C=C/c1cncc(F)c1 ZINC000178228125 655983273 /nfs/dbraw/zinc/98/32/73/655983273.db2.gz YCMDNZMEDUQGCJ-DIECRNLCSA-N 0 0 312.344 3.356 20 10 DGCDRN COCC(C)(C)[N@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000715726556 661214084 /nfs/dbraw/zinc/21/40/84/661214084.db2.gz UTEIMSUIOZZQPG-UHFFFAOYSA-N 0 0 320.202 3.151 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[NH2+][C@H]1CCCSC1 ZINC000715786950 661214415 /nfs/dbraw/zinc/21/44/15/661214415.db2.gz BYHZFTWEOLPSPU-JTQLQIEISA-N 0 0 320.227 3.279 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CCN1Cc1ccccc1 ZINC000716237817 661220284 /nfs/dbraw/zinc/22/02/84/661220284.db2.gz LTJZQMLUFYKEOS-INIZCTEOSA-N 0 0 316.832 3.410 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2cccc(C)c2F)c1 ZINC000179999385 656089636 /nfs/dbraw/zinc/08/96/36/656089636.db2.gz MZYSKJLLYNUONM-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN Cc1ccc(CCNC(=O)/C=C/c2ccc(O)c(O)c2)c(C)c1 ZINC000180982332 656096099 /nfs/dbraw/zinc/09/60/99/656096099.db2.gz CMIKSJPDPYNHBL-VMPITWQZSA-N 0 0 311.381 3.087 20 10 DGCDRN COc1cccc2c1OC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])C2 ZINC000185334449 656125624 /nfs/dbraw/zinc/12/56/24/656125624.db2.gz DRKXQJFMCSPDFW-SMDDNHRTSA-N 0 0 317.360 3.194 20 10 DGCDRN O=C(c1cccc(O)c1O)N(Cc1ccccc1F)C1CC1 ZINC000186791537 656133462 /nfs/dbraw/zinc/13/34/62/656133462.db2.gz UMRBLIKCZMMJFR-UHFFFAOYSA-N 0 0 301.317 3.042 20 10 DGCDRN O=C(N[C@H]1CCSc2ccccc21)c1cccc(O)c1O ZINC000186785476 656133504 /nfs/dbraw/zinc/13/35/04/656133504.db2.gz QYZXYPZSCMXEOR-LBPRGKRZSA-N 0 0 301.367 3.065 20 10 DGCDRN CC(C)c1nn(C)cc1NC(=O)NCc1cccc(Cl)c1O ZINC000931246359 656193217 /nfs/dbraw/zinc/19/32/17/656193217.db2.gz HAALDOBPQWPCAE-UHFFFAOYSA-N 0 0 322.796 3.224 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C(=O)c2ccccc2)cc1 ZINC000194133070 656197978 /nfs/dbraw/zinc/19/79/78/656197978.db2.gz ZDGXYIQCGCWFTN-UHFFFAOYSA-N 0 0 310.397 3.032 20 10 DGCDRN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(Cl)cn1 ZINC000194696724 656203983 /nfs/dbraw/zinc/20/39/83/656203983.db2.gz DTWBLZAFPVYPAA-HTZNOQTFSA-N 0 0 318.760 3.037 20 10 DGCDRN CC(=O)CCCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000194522954 656225782 /nfs/dbraw/zinc/22/57/82/656225782.db2.gz IJUORCPZWGIOTQ-UHFFFAOYSA-N 0 0 316.445 3.395 20 10 DGCDRN COc1ccc(NCc2cc(Br)ccc2O)cn1 ZINC000162820102 656365849 /nfs/dbraw/zinc/36/58/49/656365849.db2.gz ITNDVDJBHACRSY-UHFFFAOYSA-N 0 0 309.163 3.170 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCC2(C3CC3)CCC2)c1 ZINC000162881709 656423369 /nfs/dbraw/zinc/42/33/69/656423369.db2.gz FEABRHBPDNERNZ-GFCCVEGCSA-N 0 0 318.417 3.341 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1CCN1C(=O)OC(C)(C)C)c1ccc(F)cc1[O-] ZINC000724927928 656530496 /nfs/dbraw/zinc/53/04/96/656530496.db2.gz YHOJPXKCGLTMBD-YPMHNXCESA-N 0 0 324.396 3.191 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C)C2)cc1F ZINC000261393222 656768151 /nfs/dbraw/zinc/76/81/51/656768151.db2.gz HFYVIZTUBLTDKR-ZDUSSCGKSA-N 0 0 307.413 3.223 20 10 DGCDRN O=C(NCc1ccccc1O)c1ccc(OC(F)(F)F)cc1 ZINC000319132558 656908322 /nfs/dbraw/zinc/90/83/22/656908322.db2.gz DYTPBPTXELFYGS-UHFFFAOYSA-N 0 0 311.259 3.221 20 10 DGCDRN C[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000302991443 657506140 /nfs/dbraw/zinc/50/61/40/657506140.db2.gz MNQWOFWXAOPCDP-OCCSQVGLSA-N 0 0 307.413 3.270 20 10 DGCDRN C[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000302991444 657506533 /nfs/dbraw/zinc/50/65/33/657506533.db2.gz MNQWOFWXAOPCDP-TZMCWYRMSA-N 0 0 307.413 3.270 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000302992390 657506756 /nfs/dbraw/zinc/50/67/56/657506756.db2.gz FGSXZEIUWKYGCG-WMLDXEAASA-N 0 0 314.404 3.456 20 10 DGCDRN CCOc1ccc(N(C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000305197892 657723522 /nfs/dbraw/zinc/72/35/22/657723522.db2.gz USTFYGYIYOQESK-KRWDZBQOSA-N 0 0 316.357 3.163 20 10 DGCDRN CCc1onc(C)c1NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000089418551 658433794 /nfs/dbraw/zinc/43/37/94/658433794.db2.gz AYIJBFKOGOHRSS-SECBINFHSA-N 0 0 319.361 3.142 20 10 DGCDRN COc1cc(C)ccc1CNC(=O)N(C)Cc1ccccc1O ZINC000155628099 658834714 /nfs/dbraw/zinc/83/47/14/658834714.db2.gz YACPSPMSUQDGJS-UHFFFAOYSA-N 0 0 314.385 3.051 20 10 DGCDRN C[C@@H]1CCC[C@@H](N(C)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000031731396 658844547 /nfs/dbraw/zinc/84/45/47/658844547.db2.gz RRSKXKFLGWKHER-RHSMWYFYSA-N 0 0 303.450 3.473 20 10 DGCDRN O=C(CC/C=C/c1ccccc1)NCCc1ccc(O)c(O)c1 ZINC000156663984 658932697 /nfs/dbraw/zinc/93/26/97/658932697.db2.gz ILZXNEFRRWVDRG-XBXARRHUSA-N 0 0 311.381 3.250 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C2CC2)n[nH]1 ZINC000045056069 658941045 /nfs/dbraw/zinc/94/10/45/658941045.db2.gz JVXRTIHDAUTDOZ-UHFFFAOYSA-N 0 0 312.417 3.015 20 10 DGCDRN CCC(C)(C)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000164915316 658957426 /nfs/dbraw/zinc/95/74/26/658957426.db2.gz LTPQFZFRUFGJAQ-CQSZACIVSA-N 0 0 319.449 3.072 20 10 DGCDRN CN1CCCc2cc(CNC(=O)NC(C3CC3)C3CC3)ccc21 ZINC000057660829 659021978 /nfs/dbraw/zinc/02/19/78/659021978.db2.gz VSNZCCPOUCEEJF-UHFFFAOYSA-N 0 0 313.445 3.057 20 10 DGCDRN CC[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000057647179 659023132 /nfs/dbraw/zinc/02/31/32/659023132.db2.gz PZEFUHVBHIEUQU-CYBMUJFWSA-N 0 0 307.413 3.223 20 10 DGCDRN Cc1cc(C(=O)NC[C@@H]2CCCO2)c(C)n1-c1cccc(C)c1 ZINC000046467316 659123243 /nfs/dbraw/zinc/12/32/43/659123243.db2.gz QLBVYISFUDIVHN-KRWDZBQOSA-N 0 0 312.413 3.311 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCc2c1cccc2C(F)(F)F ZINC000189922999 659184872 /nfs/dbraw/zinc/18/48/72/659184872.db2.gz GGHAVNVNQBAIMZ-UHFFFAOYSA-N 0 0 323.270 3.320 20 10 DGCDRN Cc1ccc(C[NH2+]Cc2cccc(Br)c2[O-])cn1 ZINC000060942083 659218485 /nfs/dbraw/zinc/21/84/85/659218485.db2.gz CDCLSCFDAAIEST-UHFFFAOYSA-N 0 0 307.191 3.148 20 10 DGCDRN Cc1nn(C)c(Cl)c1CN(C)Cc1ccc(N(C)C)cc1 ZINC000170748510 659234873 /nfs/dbraw/zinc/23/48/73/659234873.db2.gz BCOISCQJSNKHMW-UHFFFAOYSA-N 0 0 306.841 3.080 20 10 DGCDRN CSc1ccc(NC(=O)CN(C)Cc2ccccc2O)cc1 ZINC000171937299 659307154 /nfs/dbraw/zinc/30/71/54/659307154.db2.gz VCEQYRLQFOKUAS-UHFFFAOYSA-N 0 0 316.426 3.185 20 10 DGCDRN CCN(CC1CC1)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000171977038 659308779 /nfs/dbraw/zinc/30/87/79/659308779.db2.gz BWOUBQRLWVMSLB-UHFFFAOYSA-N 0 0 303.450 3.474 20 10 DGCDRN CS[C@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000172363682 659332525 /nfs/dbraw/zinc/33/25/25/659332525.db2.gz DUANBWYXXQUVQR-KRWDZBQOSA-N 0 0 314.454 3.473 20 10 DGCDRN CC(=O)c1ccccc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000172720965 659351676 /nfs/dbraw/zinc/35/16/76/659351676.db2.gz JUGLYWOAZXIKTQ-UHFFFAOYSA-N 0 0 314.360 3.024 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2cccc(F)c2Cl)c1 ZINC000173579209 659392945 /nfs/dbraw/zinc/39/29/45/659392945.db2.gz HSWYHUYCHXIMMW-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2cc3c(ccc(C)c3C)[nH]2)c1 ZINC000173580682 659393406 /nfs/dbraw/zinc/39/34/06/659393406.db2.gz YJXOHPMKTVSLCZ-UHFFFAOYSA-N 0 0 324.380 3.429 20 10 DGCDRN COc1ccccc1OCCN(C)c1ccc(OC)c(OC)c1 ZINC000063617957 659400764 /nfs/dbraw/zinc/40/07/64/659400764.db2.gz WRGPFJBYUCMDTA-UHFFFAOYSA-N 0 0 317.385 3.228 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H](C)c1nc[nH]n1 ZINC000174558218 659438646 /nfs/dbraw/zinc/43/86/46/659438646.db2.gz QMBBAYCZIFRRLT-AWEZNQCLSA-N 0 0 323.400 3.012 20 10 DGCDRN Cc1cc(C(=O)NCC(C)(C)O)c(C)n1-c1cccc(Cl)c1 ZINC000174823968 659821474 /nfs/dbraw/zinc/82/14/74/659821474.db2.gz HIHSPRNNBRNQRM-UHFFFAOYSA-N 0 0 320.820 3.248 20 10 DGCDRN CC(C)C1(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000175625554 659926636 /nfs/dbraw/zinc/92/66/36/659926636.db2.gz DAXLJKDVTPOKRQ-UHFFFAOYSA-N 0 0 313.445 3.298 20 10 DGCDRN C[C@H](c1ccccc1)N(Cc1nncn1C)Cc1ccccc1O ZINC000179642000 659936236 /nfs/dbraw/zinc/93/62/36/659936236.db2.gz YKYDUVVGCGVGJR-OAHLLOKOSA-N 0 0 322.412 3.284 20 10 DGCDRN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(N)cc3)cc2)n1 ZINC000237690960 659936668 /nfs/dbraw/zinc/93/66/68/659936668.db2.gz VTKSRGGZLCPMKC-UHFFFAOYSA-N 0 0 306.369 3.324 20 10 DGCDRN Fc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1F ZINC000237854655 659945403 /nfs/dbraw/zinc/94/54/03/659945403.db2.gz LVOAGRDDHVNOQW-UHFFFAOYSA-N 0 0 304.340 3.414 20 10 DGCDRN CCCCC[C@@H](C)NC(=O)CN(C)c1ccc(OC)c(OC)c1 ZINC000068300969 659948407 /nfs/dbraw/zinc/94/84/07/659948407.db2.gz IDCAPPJGTUEIRY-CQSZACIVSA-N 0 0 322.449 3.225 20 10 DGCDRN Nc1ccc(CC(=O)N(C2CC2)[C@@H]2CCc3ccccc32)cc1 ZINC000238067979 659956110 /nfs/dbraw/zinc/95/61/10/659956110.db2.gz GXYQOGOGEMTRCZ-LJQANCHMSA-N 0 0 306.409 3.490 20 10 DGCDRN CC[C@H](C)N(C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000068549185 659957196 /nfs/dbraw/zinc/95/71/96/659957196.db2.gz QHDNKFXIMRQOEX-GJZGRUSLSA-N 0 0 319.449 3.024 20 10 DGCDRN Cc1cc(Br)cc(CN2CCO[C@H](C)[C@@H]2C)c1O ZINC000180256903 659957530 /nfs/dbraw/zinc/95/75/30/659957530.db2.gz NHSBITOGBUUBSP-WDEREUQCSA-N 0 0 314.223 3.072 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CC23CCCCC3)c1 ZINC000180565136 659965440 /nfs/dbraw/zinc/96/54/40/659965440.db2.gz AXIJARABQDEPPR-MLGOLLRUSA-N 0 0 318.417 3.484 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CC23CCCCC3)c1 ZINC000180565154 659965619 /nfs/dbraw/zinc/96/56/19/659965619.db2.gz AXIJARABQDEPPR-LRDDRELGSA-N 0 0 318.417 3.484 20 10 DGCDRN CC(C)(CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000180641540 659967278 /nfs/dbraw/zinc/96/72/78/659967278.db2.gz JKSDBQLPTQDXRI-PKNBQFBNSA-N 0 0 311.381 3.205 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCc2ccccc2C1 ZINC000181052227 659977772 /nfs/dbraw/zinc/97/77/72/659977772.db2.gz YBGACJDBCBZJKB-CSKARUKUSA-N 0 0 309.365 3.086 20 10 DGCDRN CN1CCCc2cc(NC(=O)/C=C/c3ccc(O)c(O)c3)ccc21 ZINC000181062666 659977963 /nfs/dbraw/zinc/97/79/63/659977963.db2.gz CRKNHCCNNPRCDN-WEVVVXLNSA-N 0 0 324.380 3.132 20 10 DGCDRN CCc1ccnc(C(=O)NCCCSc2nccs2)c1 ZINC000181341934 659994920 /nfs/dbraw/zinc/99/49/20/659994920.db2.gz JQRKFWJLZYTYNI-UHFFFAOYSA-N 0 0 307.444 3.013 20 10 DGCDRN O=S(=O)(Nc1ccc(O)cc1F)c1ccc2c(c1)CCCC2 ZINC000181626114 660012934 /nfs/dbraw/zinc/01/29/34/660012934.db2.gz KNNJDWQDGCDHME-UHFFFAOYSA-N 0 0 321.373 3.211 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(O)cc1F ZINC000181919320 660026197 /nfs/dbraw/zinc/02/61/97/660026197.db2.gz ZHKCFUWSQJUKEM-UHFFFAOYSA-N 0 0 316.376 3.260 20 10 DGCDRN COc1ccc(O)c([C@H](C)N[C@H](C)c2nc(C(C)C)no2)c1 ZINC000182431972 660051910 /nfs/dbraw/zinc/05/19/10/660051910.db2.gz LEOVLLKSAJRRHR-WDEREUQCSA-N 0 0 305.378 3.319 20 10 DGCDRN Cc1ccc(C(=O)NC[C@H](C)Cc2cccs2)c(O)c1O ZINC000182506282 660058811 /nfs/dbraw/zinc/05/88/11/660058811.db2.gz NCYKCCDQZPDEEI-SNVBAGLBSA-N 0 0 305.399 3.076 20 10 DGCDRN CC(C)(CCC(=O)NCc1ccc(O)c(O)c1)c1ccccc1 ZINC000182520296 660060716 /nfs/dbraw/zinc/06/07/16/660060716.db2.gz NMZHVFXOSMWKDN-UHFFFAOYSA-N 0 0 313.397 3.472 20 10 DGCDRN C[C@H]([NH2+]CC1(N2CCSCC2)CCCC1)c1ccccc1O ZINC000183415204 660109831 /nfs/dbraw/zinc/10/98/31/660109831.db2.gz QTJVLLNPYCAVJV-HNNXBMFYSA-N 0 0 320.502 3.404 20 10 DGCDRN CC[C@H]([NH2+]Cc1nccn1C)c1cc(Br)ccc1O ZINC000071273040 660109861 /nfs/dbraw/zinc/10/98/61/660109861.db2.gz VHRLWHRNSFHFQD-LBPRGKRZSA-N 0 0 324.222 3.129 20 10 DGCDRN Cc1ccc(C)c(CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000183429860 660110471 /nfs/dbraw/zinc/11/04/71/660110471.db2.gz JBDQNQBPFCELLN-AWEZNQCLSA-N 0 0 313.397 3.005 20 10 DGCDRN CO[C@@H](C)CCC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000183915156 660147368 /nfs/dbraw/zinc/14/73/68/660147368.db2.gz QNUVJKCYPVOMGT-AWEZNQCLSA-N 0 0 317.385 3.329 20 10 DGCDRN Cc1ccc([N+](=O)[O-])c(N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000184146662 660156644 /nfs/dbraw/zinc/15/66/44/660156644.db2.gz SLEMKUJGESWQSS-LLVKDONJSA-N 0 0 302.330 3.358 20 10 DGCDRN Cc1cc(C(=O)OCc2cncs2)c(C)n1-c1ccccn1 ZINC000184618403 660177400 /nfs/dbraw/zinc/17/74/00/660177400.db2.gz SBUGCLLZEXUIAC-UHFFFAOYSA-N 0 0 313.382 3.303 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccnn1C1CCC1 ZINC000930205894 661377720 /nfs/dbraw/zinc/37/77/20/661377720.db2.gz PWOWPAUBMGQQTC-UHFFFAOYSA-N 0 0 324.428 3.138 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)Nc1ccc(C2CC2)nn1 ZINC000930403588 661395493 /nfs/dbraw/zinc/39/54/93/661395493.db2.gz QXJKFCAVMCFRQN-UHFFFAOYSA-N 0 0 318.764 3.035 20 10 DGCDRN CN(CCO[C@H]1CCOC1)c1ccc(-c2nccs2)cc1 ZINC000930710070 661423353 /nfs/dbraw/zinc/42/33/53/661423353.db2.gz OFBYMBYQSRZWNY-HNNXBMFYSA-N 0 0 304.415 3.052 20 10 DGCDRN COc1cccc(N(CC(C)C)C(=O)/C=C/c2cn(C)cn2)c1 ZINC000931106217 661452413 /nfs/dbraw/zinc/45/24/13/661452413.db2.gz AWMFTYBIUXBJMI-CMDGGOBGSA-N 0 0 313.401 3.131 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000931268861 661463439 /nfs/dbraw/zinc/46/34/39/661463439.db2.gz GLGTVTIMPRXPMS-WFMXKNRHSA-N 0 0 318.373 3.263 20 10 DGCDRN O=C(Nc1ccc2c(c1)CCCC2=O)N1Cc2cccc(O)c2C1 ZINC000931583725 661490910 /nfs/dbraw/zinc/49/09/10/661490910.db2.gz HLUNTBTVESNBMK-UHFFFAOYSA-N 0 0 322.364 3.459 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000934940662 661750263 /nfs/dbraw/zinc/75/02/63/661750263.db2.gz SVGHHLGYPGCLOM-GDZNZVCISA-N 0 0 321.417 3.029 20 10 DGCDRN CCCc1ccccc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000935311948 661776083 /nfs/dbraw/zinc/77/60/83/661776083.db2.gz SZQXTCZNQYVCNX-CYBMUJFWSA-N 0 0 313.397 3.411 20 10 DGCDRN Cc1ccc(N2C(=O)/C(=C\c3csnn3)SC2=S)cc1 ZINC000044024115 661852990 /nfs/dbraw/zinc/85/29/90/661852990.db2.gz HXLZXJHTQBNCQP-IZZDOVSWSA-N 0 0 319.436 3.252 20 10 DGCDRN C[C@@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000046983833 661870681 /nfs/dbraw/zinc/87/06/81/661870681.db2.gz NWIUSZCRESKOOV-OAHLLOKOSA-N 0 0 301.434 3.228 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2c[nH]c(=O)c(C)c2)cc1 ZINC000159601184 661891180 /nfs/dbraw/zinc/89/11/80/661891180.db2.gz DPAYVFBKJBEJCE-UHFFFAOYSA-N 0 0 321.380 3.343 20 10 DGCDRN C[C@H](Sc1nccs1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000048874182 661896607 /nfs/dbraw/zinc/89/66/07/661896607.db2.gz QLBDPMYFFCZSKJ-QMMMGPOBSA-N 0 0 309.372 3.171 20 10 DGCDRN CCN(CC)c1ccc(CNc2c([N+](=O)[O-])c(C)nn2C)cc1 ZINC000076844932 662002027 /nfs/dbraw/zinc/00/20/27/662002027.db2.gz RFRXYLIWLVPHNG-UHFFFAOYSA-N 0 0 317.393 3.095 20 10 DGCDRN CSCC[C@@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000077997906 662049235 /nfs/dbraw/zinc/04/92/35/662049235.db2.gz HNPFAYVXBVMZDZ-CYBMUJFWSA-N 0 0 321.490 3.010 20 10 DGCDRN Cc1ncc(/C=C/C(=O)N2CCCN(C)c3ccccc32)s1 ZINC000078150004 662053788 /nfs/dbraw/zinc/05/37/88/662053788.db2.gz MDGIEPQUDSPXOS-CMDGGOBGSA-N 0 0 313.426 3.338 20 10 DGCDRN C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])NC(=O)OC(C)(C)C ZINC000192689072 662108318 /nfs/dbraw/zinc/10/83/18/662108318.db2.gz IAXFMPLXHXSMSP-MNOVXSKESA-N 0 0 312.385 3.095 20 10 DGCDRN O=C(Nc1cc(C(F)(F)F)ccc1O)c1cccc(O)c1O ZINC000192991261 662119896 /nfs/dbraw/zinc/11/98/96/662119896.db2.gz RMQHWJBXIVTYCX-UHFFFAOYSA-N 0 0 313.231 3.075 20 10 DGCDRN CC[C@H](C(=O)OC)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000194565162 662168860 /nfs/dbraw/zinc/16/88/60/662168860.db2.gz DMXOVZRWOTUMLY-QGZVFWFLSA-N 0 0 304.434 3.060 20 10 DGCDRN CN(c1ccc(CNC(=O)c2cn[nH]c2)cc1)C1CCCCC1 ZINC000195077115 662177833 /nfs/dbraw/zinc/17/78/33/662177833.db2.gz BHNLVHTUCQPQQC-UHFFFAOYSA-N 0 0 312.417 3.109 20 10 DGCDRN Cc1nccc(-c2cccc(NC(=O)Cc3ccc(N)cc3)c2)n1 ZINC000195184573 662179921 /nfs/dbraw/zinc/17/99/21/662179921.db2.gz XIANWHFFCXSDFI-UHFFFAOYSA-N 0 0 318.380 3.215 20 10 DGCDRN C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1cccnc1 ZINC000195208328 662180371 /nfs/dbraw/zinc/18/03/71/662180371.db2.gz MZTPRRKMEZULLR-CQSZACIVSA-N 0 0 324.428 3.024 20 10 DGCDRN COc1ccc(N2CCN(Cc3cccnc3Cl)CC2)cc1 ZINC000195524206 662191326 /nfs/dbraw/zinc/19/13/26/662191326.db2.gz DDNZAGICCPYFRD-UHFFFAOYSA-N 0 0 317.820 3.066 20 10 DGCDRN Cc1ccc(O)c([C@@H](C)NCc2n[nH]cc2Br)c1 ZINC000718126928 662230016 /nfs/dbraw/zinc/23/00/16/662230016.db2.gz RLDNYHCJRJBJME-SECBINFHSA-N 0 0 310.195 3.037 20 10 DGCDRN Cc1cc(Br)cc(CN2CCO[C@H](C)[C@H]2C)c1O ZINC000245855381 662242893 /nfs/dbraw/zinc/24/28/93/662242893.db2.gz NHSBITOGBUUBSP-GHMZBOCLSA-N 0 0 314.223 3.072 20 10 DGCDRN COc1cc(CN2C[C@H](C)OC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000246042695 662246519 /nfs/dbraw/zinc/24/65/19/662246519.db2.gz AMFCHNWXRIXEEB-STQMWFEESA-N 0 0 307.434 3.308 20 10 DGCDRN CC[C@H]1CN(Cc2cc(Br)ccc2O)C[C@H](C)O1 ZINC000092486740 662331933 /nfs/dbraw/zinc/33/19/33/662331933.db2.gz LJWNGPQPPDATNA-GWCFXTLKSA-N 0 0 314.223 3.154 20 10 DGCDRN COC(=O)[C@]1(C)CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000093813770 662359797 /nfs/dbraw/zinc/35/97/97/662359797.db2.gz SGZBUUOLIWXKHV-CQSZACIVSA-N 0 0 318.200 3.084 20 10 DGCDRN CN(c1ccc(CNC(=O)N2CCC2)cc1)C1CCCCC1 ZINC000065486129 685054667 /nfs/dbraw/zinc/05/46/67/685054667.db2.gz XGKRQBRUDAODDV-UHFFFAOYSA-N 0 0 301.434 3.371 20 10 DGCDRN C[C@@H](NC(=O)CC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000145465018 685086358 /nfs/dbraw/zinc/08/63/58/685086358.db2.gz ASPBUFQXNNOYTO-CQSZACIVSA-N 0 0 304.434 3.137 20 10 DGCDRN CC(C)CCC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000145530337 685087070 /nfs/dbraw/zinc/08/70/70/685087070.db2.gz SCKFBIVAEITXPK-OAHLLOKOSA-N 0 0 304.434 3.137 20 10 DGCDRN CN(C(=O)COc1ccc2c(c1)CCCC2)c1ccc(N)cc1 ZINC000390708294 685204565 /nfs/dbraw/zinc/20/45/65/685204565.db2.gz HVNHWAOIKWJNIJ-UHFFFAOYSA-N 0 0 310.397 3.189 20 10 DGCDRN CO[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])C1CCCC1 ZINC001659730019 1196408740 /nfs/dbraw/zinc/40/87/40/1196408740.db2.gz QORHDTZLNUOSBI-OAHLLOKOSA-N 0 0 301.789 3.480 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CNc3ccccc32)cc1 ZINC001577697506 1191912807 /nfs/dbraw/zinc/91/28/07/1191912807.db2.gz LWRVUKZATLTKFB-SFHVURJKSA-N 0 0 323.440 3.358 20 10 DGCDRN [O-]c1c(C[N@H+](Cc2cnn[nH]2)C2CCCCC2)ccc(F)c1F ZINC001578051444 1191921317 /nfs/dbraw/zinc/92/13/17/1191921317.db2.gz MSQAZPYLRHFIQO-UHFFFAOYSA-N 0 0 322.359 3.123 20 10 DGCDRN COC(=O)c1cc(NC(=O)N(C)c2ccc(N)cc2)ccc1C ZINC001578859571 1191958933 /nfs/dbraw/zinc/95/89/33/1191958933.db2.gz XELUPPXBEZVHJH-UHFFFAOYSA-N 0 0 313.357 3.032 20 10 DGCDRN COc1cccc(-c2cc(C(=O)N(C)c3ccc(N)cc3)on2)c1 ZINC001579257363 1191970681 /nfs/dbraw/zinc/97/06/81/1191970681.db2.gz CRTWFOPTNZDFTI-UHFFFAOYSA-N 0 0 323.352 3.209 20 10 DGCDRN Cc1ccc(N)c2c1N(C(=O)/C=C/c1cncc(F)c1)CCC2 ZINC001579708959 1191988409 /nfs/dbraw/zinc/98/84/09/1191988409.db2.gz LMKNXJCRVDTNRY-FNORWQNLSA-N 0 0 311.360 3.104 20 10 DGCDRN Nc1ccc(CCNC(=O)Nc2ccc3ccccc3n2)cc1 ZINC001580443528 1192027209 /nfs/dbraw/zinc/02/72/09/1192027209.db2.gz NSVZKZOXVHLSKT-UHFFFAOYSA-N 0 0 306.369 3.181 20 10 DGCDRN Nc1ccc(CNc2cc(Cl)nc([C@H]3CCCO3)n2)cc1 ZINC001580447124 1192027212 /nfs/dbraw/zinc/02/72/12/1192027212.db2.gz QNDFZYBZOCGRNH-GFCCVEGCSA-N 0 0 304.781 3.176 20 10 DGCDRN Nc1ccc(CNC(=O)c2cc(Cl)c(Cl)cc2N)cc1 ZINC001580445759 1192027325 /nfs/dbraw/zinc/02/73/25/1192027325.db2.gz UHWFCPQQWBAONS-UHFFFAOYSA-N 0 0 310.184 3.088 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H](O)c1ccsc1 ZINC001620807296 1192086618 /nfs/dbraw/zinc/08/66/18/1192086618.db2.gz SMJCHFITFJULLY-GFCCVEGCSA-N 0 0 301.770 3.069 20 10 DGCDRN Cc1cc(C(=O)NC/C=C/CO)c(C)n1-c1cccc(Cl)c1 ZINC001584108131 1192178139 /nfs/dbraw/zinc/17/81/39/1192178139.db2.gz OYUORFVRCJNWHD-ONEGZZNKSA-N 0 0 318.804 3.026 20 10 DGCDRN Cc1cc(CNC(=O)c2ccc(O)cn2)c(C)n1-c1ccccc1 ZINC001587026605 1192363394 /nfs/dbraw/zinc/36/33/94/1192363394.db2.gz JEYOTNXZRPTKSD-UHFFFAOYSA-N 0 0 321.380 3.125 20 10 DGCDRN CCC[C@H](O)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001587025898 1192363767 /nfs/dbraw/zinc/36/37/67/1192363767.db2.gz FHPLHBDXCBPVAE-SFHVURJKSA-N 0 0 314.429 3.180 20 10 DGCDRN Cc1cc(N(C)C(=O)/C=C\c2ccc(Cl)nc2)ccc1O ZINC001587082014 1192367280 /nfs/dbraw/zinc/36/72/80/1192367280.db2.gz ALNZRAMLKJRJDI-YWEYNIOJSA-N 0 0 302.761 3.425 20 10 DGCDRN Cc1cccc([C@@H](O)C[NH2+]Cc2cc(Cl)cc(F)c2[O-])c1 ZINC001620854389 1192461373 /nfs/dbraw/zinc/46/13/73/1192461373.db2.gz DVDQVVQDGPAGQP-HNNXBMFYSA-N 0 0 309.768 3.316 20 10 DGCDRN Cn1c2cccc(NCc3ccc(N4CCCC4)cc3)c2oc1=O ZINC001620861853 1192474310 /nfs/dbraw/zinc/47/43/10/1192474310.db2.gz UGQHZANVQWUKAX-UHFFFAOYSA-N 0 0 323.396 3.344 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1cc2cccc(Cl)c2o1 ZINC001593873437 1192640728 /nfs/dbraw/zinc/64/07/28/1192640728.db2.gz PFDVKCFUNQJHHE-UHFFFAOYSA-N 0 0 317.728 3.427 20 10 DGCDRN C[C@@H](CC(=O)NCc1cc(O)ccc1O)c1ccc(F)cc1 ZINC001593873284 1192640754 /nfs/dbraw/zinc/64/07/54/1192640754.db2.gz NLKWDFCPCFZIDW-NSHDSACASA-N 0 0 303.333 3.047 20 10 DGCDRN CC(C)(CNC(=O)NCCCSc1nccs1)C1CC1 ZINC001670372579 1176121667 /nfs/dbraw/zinc/12/16/67/1176121667.db2.gz QUPWPWXGBNXBDM-UHFFFAOYSA-N 0 0 313.492 3.361 20 10 DGCDRN CCOc1ncc(C)cc1NC(=O)NCc1cc(C)ccc1O ZINC001670457972 1176142669 /nfs/dbraw/zinc/14/26/69/1176142669.db2.gz GPWYYDCBMCXYBE-UHFFFAOYSA-N 0 0 315.373 3.124 20 10 DGCDRN Cc1cc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)oc1C ZINC001204534637 1176181827 /nfs/dbraw/zinc/18/18/27/1176181827.db2.gz KXEZDQLZDOIREK-UHFFFAOYSA-N 0 0 314.429 3.365 20 10 DGCDRN Cc1nccc(NC(=O)N[C@@H](C)c2ccccc2O)c1Cl ZINC001670637077 1176197884 /nfs/dbraw/zinc/19/78/84/1176197884.db2.gz ZFWJKXVXVFXDKS-VIFPVBQESA-N 0 0 305.765 3.054 20 10 DGCDRN C[C@@H](C(=O)NCc1c(O)cccc1O)c1ccc(Cl)s1 ZINC001597574952 1192738654 /nfs/dbraw/zinc/73/86/54/1192738654.db2.gz WCSIXQNMHIKZCY-MRVPVSSYSA-N 0 0 311.790 3.233 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cc(C(F)F)n[nH]1 ZINC001597742151 1192745453 /nfs/dbraw/zinc/74/54/53/1192745453.db2.gz GYVQWMABEJPAQP-UHFFFAOYSA-N 0 0 317.295 3.136 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CC(Cc3ccccc3)C2)cc1 ZINC001598007842 1192758338 /nfs/dbraw/zinc/75/83/38/1192758338.db2.gz UJHPKWUSOVVUJB-UHFFFAOYSA-N 0 0 322.368 3.164 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2cc(C)cnc2Cl)c1 ZINC001670776107 1176813797 /nfs/dbraw/zinc/81/37/97/1176813797.db2.gz BHIUUBQHEGXQFU-UHFFFAOYSA-N 0 0 305.765 3.379 20 10 DGCDRN CC(C)c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1C[C@@H]1C ZINC001598420785 1192773528 /nfs/dbraw/zinc/77/35/28/1192773528.db2.gz YEZJIOBYYGNMGD-DZGCQCFKSA-N 0 0 314.433 3.400 20 10 DGCDRN Cc1cc(C[NH2+]Cc2ccc3c(c2)CCCN3C)ccc1C(=O)[O-] ZINC001600209546 1192808666 /nfs/dbraw/zinc/80/86/66/1192808666.db2.gz NYRJALTXYQXSFC-UHFFFAOYSA-N 0 0 324.424 3.365 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[N@@H+]1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC001600237227 1192817224 /nfs/dbraw/zinc/81/72/24/1192817224.db2.gz VEWVEVLPUBKUFV-LJQANCHMSA-N 0 0 324.424 3.245 20 10 DGCDRN CN(C)c1cc(F)c(CNc2ccc(OCCO)cc2)cc1F ZINC001331270257 1178169870 /nfs/dbraw/zinc/16/98/70/1178169870.db2.gz DPJVXKWQKIUUOU-UHFFFAOYSA-N 0 0 322.355 3.014 20 10 DGCDRN Cc1ccc(C[N@H+](C)Cc2nc(=O)c3sccc3[n-]2)c(O)c1 ZINC001331728512 1178274907 /nfs/dbraw/zinc/27/49/07/1178274907.db2.gz OBLUPAIZRQHBSJ-UHFFFAOYSA-N 0 0 315.398 3.043 20 10 DGCDRN Cc1cc([C@@H](C)NC(=O)N2Cc3cccc(O)c3C2)c(C)o1 ZINC001332585646 1178464503 /nfs/dbraw/zinc/46/45/03/1178464503.db2.gz LNTKNIOFBDHZSG-LLVKDONJSA-N 0 0 300.358 3.388 20 10 DGCDRN COc1ccc([C@H](C)NC(=O)NCc2cc(C)ccc2O)cc1 ZINC001332650139 1178467785 /nfs/dbraw/zinc/46/77/85/1178467785.db2.gz MZHUVSMVSTXPHJ-ZDUSSCGKSA-N 0 0 314.385 3.270 20 10 DGCDRN C[C@H](NC(=O)NC[C@@H]1CCc2ccccc21)c1ccccc1O ZINC001332897769 1178517690 /nfs/dbraw/zinc/51/76/90/1178517690.db2.gz BANRFSROILSTEC-ZFWWWQNUSA-N 0 0 310.397 3.482 20 10 DGCDRN C[C@H](NC(=O)NC[C@H]1CCc2ccccc21)c1ccccc1O ZINC001332897768 1178518142 /nfs/dbraw/zinc/51/81/42/1178518142.db2.gz BANRFSROILSTEC-DZGCQCFKSA-N 0 0 310.397 3.482 20 10 DGCDRN CC(=O)C1(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1 ZINC001333350484 1178592726 /nfs/dbraw/zinc/59/27/26/1178592726.db2.gz MVRRNGDTKYZDIS-UHFFFAOYSA-N 0 0 310.397 3.254 20 10 DGCDRN C[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H]1C ZINC001333749192 1178667013 /nfs/dbraw/zinc/66/70/13/1178667013.db2.gz QNDFTXRXHLSUIR-VHSXEESVSA-N 0 0 305.399 3.431 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OC[C@H]1CCC2(CCC2)CO1 ZINC001333882690 1178690107 /nfs/dbraw/zinc/69/01/07/1178690107.db2.gz FMBRTRWNOFVMOJ-PKXJPQMGSA-N 0 0 318.369 3.004 20 10 DGCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CC2CCC1CC2 ZINC001334763168 1178794190 /nfs/dbraw/zinc/79/41/90/1178794190.db2.gz GMOIOQXFVSVRDX-UHFFFAOYSA-N 0 0 303.383 3.327 20 10 DGCDRN Nc1ccc(CNC(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)cc1 ZINC001335452189 1178912645 /nfs/dbraw/zinc/91/26/45/1178912645.db2.gz OVCBRNVJOGOFHF-HKUYNNGSSA-N 0 0 323.440 3.479 20 10 DGCDRN C[C@H]1c2sccc2CCN1C(=O)NCc1ccc(N)cc1 ZINC001335737752 1178946834 /nfs/dbraw/zinc/94/68/34/1178946834.db2.gz UMIRACKNSFNTCR-NSHDSACASA-N 0 0 301.415 3.159 20 10 DGCDRN CCc1nc(NC(=O)N2Cc3cccc(O)c3C2)sc1C ZINC001335911569 1178970546 /nfs/dbraw/zinc/97/05/46/1178970546.db2.gz JBHBKACZSTYOHO-UHFFFAOYSA-N 0 0 303.387 3.267 20 10 DGCDRN Cc1cnc(C(=O)Nc2c3nonc3ccc2Cl)c(C)c1 ZINC001336039806 1178984961 /nfs/dbraw/zinc/98/49/61/1178984961.db2.gz UBHNTBDCSQMASO-UHFFFAOYSA-N 0 0 302.721 3.140 20 10 DGCDRN CCOc1cccc(CN2Cc3ccc([N+](=O)[O-])cc3C2)c1O ZINC001341570208 1179030373 /nfs/dbraw/zinc/03/03/73/1179030373.db2.gz VSXMRHRWPNEUQJ-UHFFFAOYSA-N 0 0 314.341 3.215 20 10 DGCDRN O=C([O-])[C@H](C[NH2+]Cc1ccc(Cl)cc1O)C1CCCCC1 ZINC001601653961 1192935926 /nfs/dbraw/zinc/93/59/26/1192935926.db2.gz UXBKSGVMYZYDFY-CQSZACIVSA-N 0 0 311.809 3.416 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1C[C@H](C)[C@@H](C)[C@@H]1C ZINC001342569380 1179154616 /nfs/dbraw/zinc/15/46/16/1179154616.db2.gz MEELZKOCGUVNCA-AXFHLTTASA-N 0 0 306.435 3.213 20 10 DGCDRN CO[C@H]1CCC[C@H](CC(=O)Nc2c3nonc3ccc2Cl)C1 ZINC001342953724 1179214510 /nfs/dbraw/zinc/21/45/10/1179214510.db2.gz ZITHKAWSDVIPQV-UWVGGRQHSA-N 0 0 323.780 3.410 20 10 DGCDRN C[C@H]1CCC[C@@H](OCC(=O)Nc2c3nonc3ccc2Cl)C1 ZINC001342950598 1179214785 /nfs/dbraw/zinc/21/47/85/1179214785.db2.gz HLIMKWBZXMECBR-VHSXEESVSA-N 0 0 323.780 3.410 20 10 DGCDRN C[C@@H]1CCC[C@@H](OCC(=O)Nc2c3nonc3ccc2Cl)C1 ZINC001342950596 1179214833 /nfs/dbraw/zinc/21/48/33/1179214833.db2.gz HLIMKWBZXMECBR-NXEZZACHSA-N 0 0 323.780 3.410 20 10 DGCDRN O=C(CC[C@H]1CCCCO1)Nc1c2nonc2ccc1Cl ZINC001342949440 1179215351 /nfs/dbraw/zinc/21/53/51/1179215351.db2.gz BYLXCZCAZYKERX-SECBINFHSA-N 0 0 309.753 3.164 20 10 DGCDRN CC(C)Cn1c(C2SC=CC2=O)nnc1N1CCC(F)CC1 ZINC001343024773 1179225531 /nfs/dbraw/zinc/22/55/31/1179225531.db2.gz DEWCBMDZVBJLDD-UHFFFAOYSA-N 0 0 324.425 3.307 20 10 DGCDRN CCC(CC)[C@@H]1C[C@@H](NC(=O)NCc2ccc(N)cc2)CCO1 ZINC001346406533 1179695696 /nfs/dbraw/zinc/69/56/96/1179695696.db2.gz XVKZAZIEALRNFR-IRXDYDNUSA-N 0 0 319.449 3.052 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)/C=C\c1nccs1 ZINC001346622088 1179727022 /nfs/dbraw/zinc/72/70/22/1179727022.db2.gz BMHGQQMFHPNSFV-FPLPWBNLSA-N 0 0 302.399 3.301 20 10 DGCDRN COC(=O)c1cnc(SCc2cnn(C(C)(C)C)c2)s1 ZINC001346827059 1179752967 /nfs/dbraw/zinc/75/29/67/1179752967.db2.gz CQCUPTRTQMGZIV-UHFFFAOYSA-N 0 0 311.432 3.174 20 10 DGCDRN CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NCc1cccc(O)c1O ZINC001349078502 1179873599 /nfs/dbraw/zinc/87/35/99/1179873599.db2.gz HPIPAIHKDLOKJI-BJJXKVORSA-N 0 0 321.417 3.088 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@]1(C)CCCCO1 ZINC001349119107 1179875254 /nfs/dbraw/zinc/87/52/54/1179875254.db2.gz QSQRYQHQPZZNBF-LJQANCHMSA-N 0 0 316.445 3.204 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1c(F)cc(F)cc1F ZINC001621061366 1192998239 /nfs/dbraw/zinc/99/82/39/1192998239.db2.gz KLFIFHRQJGBWQU-UHFFFAOYSA-N 0 0 303.230 3.378 20 10 DGCDRN Cc1cccc(N(CC(C)(C)C)C(=O)/C=C\c2cnn(C)c2)n1 ZINC001350181145 1180031744 /nfs/dbraw/zinc/03/17/44/1180031744.db2.gz XIRCFTGQUXTHFV-KTKRTIGZSA-N 0 0 312.417 3.216 20 10 DGCDRN CC(C)Cc1ccc(C(=O)NCc2cccc(O)c2O)s1 ZINC001350315004 1180051388 /nfs/dbraw/zinc/05/13/88/1180051388.db2.gz IZYRKVKDUKYPAL-UHFFFAOYSA-N 0 0 305.399 3.288 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H]1C(F)F ZINC001350928308 1180145112 /nfs/dbraw/zinc/14/51/12/1180145112.db2.gz CYYVNUVLHJUDRP-AWEZNQCLSA-N 0 0 311.376 3.000 20 10 DGCDRN COc1ccc2c(c1)c1c(n2CC(=O)NCC(C)C)CCCC1 ZINC001351551365 1180223303 /nfs/dbraw/zinc/22/33/03/1180223303.db2.gz DPEOYOCUEBTTJQ-UHFFFAOYSA-N 0 0 314.429 3.301 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1(CF)CCC1 ZINC001351672731 1180236268 /nfs/dbraw/zinc/23/62/68/1180236268.db2.gz GUTBSKPAQMJKRC-UHFFFAOYSA-N 0 0 304.409 3.385 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001352321158 1180321009 /nfs/dbraw/zinc/32/10/09/1180321009.db2.gz NSWHWSYHAKSQFU-WDEREUQCSA-N 0 0 306.435 3.214 20 10 DGCDRN Cn1cnc(/C=C\C(=O)N(Cc2ccccc2)c2ccccn2)c1 ZINC001354340997 1180772833 /nfs/dbraw/zinc/77/28/33/1180772833.db2.gz BDAIDHIGTVFZHC-KHPPLWFESA-N 0 0 318.380 3.062 20 10 DGCDRN Oc1cc2c(cc1O)CN(C(=S)NC1CCCCC1)CCC2 ZINC001200645994 1180782569 /nfs/dbraw/zinc/78/25/69/1180782569.db2.gz AVLUPRXXFWSXCC-UHFFFAOYSA-N 0 0 320.458 3.053 20 10 DGCDRN Cc1ccc(F)c(CNC(=S)Nc2ccc(F)c(F)c2)n1 ZINC001200704780 1180839017 /nfs/dbraw/zinc/83/90/17/1180839017.db2.gz SLJZBEHJXRJSLR-UHFFFAOYSA-N 0 0 311.332 3.294 20 10 DGCDRN Fc1ccc(NC(=S)NCc2cccc3ccnn32)cc1F ZINC001200707218 1180841313 /nfs/dbraw/zinc/84/13/13/1180841313.db2.gz HPOCIWICQSRRCX-UHFFFAOYSA-N 0 0 318.352 3.099 20 10 DGCDRN CC[C@@H](O)CCC[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC001200724072 1180854628 /nfs/dbraw/zinc/85/46/28/1180854628.db2.gz QNOARLRYSUMPAJ-GFCCVEGCSA-N 0 0 316.239 3.104 20 10 DGCDRN CCO[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1(CC)CC ZINC001200822065 1180940050 /nfs/dbraw/zinc/94/00/50/1180940050.db2.gz QQUBNNOCKNRERF-JKSUJKDBSA-N 0 0 322.405 3.374 20 10 DGCDRN CC(C)C1CCN(c2nnc(C3SC=CC3=O)n2C)CC1 ZINC001355344541 1181040476 /nfs/dbraw/zinc/04/04/76/1181040476.db2.gz MPCFSLFYKYSYQN-UHFFFAOYSA-N 0 0 306.435 3.122 20 10 DGCDRN CN(Cc1ccccc1O)c1nnc([C@@H]2CCCC2(F)F)n1C ZINC001355456455 1181059885 /nfs/dbraw/zinc/05/98/85/1181059885.db2.gz MMTZLQALIWXSRV-LBPRGKRZSA-N 0 0 322.359 3.060 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc3ccn(C)c3c2)cc1 ZINC001355879148 1181109170 /nfs/dbraw/zinc/10/91/70/1181109170.db2.gz SHESSBAQUVQHMW-UHFFFAOYSA-N 0 0 307.397 3.174 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)cc1F ZINC001357201410 1181368721 /nfs/dbraw/zinc/36/87/21/1181368721.db2.gz XZBUCRHHFOERDS-SOUVJXGZSA-N 0 0 304.409 3.334 20 10 DGCDRN COc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)cc1C ZINC001358004777 1181444633 /nfs/dbraw/zinc/44/46/33/1181444633.db2.gz ZYMAUPMIJAJZFC-UHFFFAOYSA-N 0 0 316.376 3.139 20 10 DGCDRN CN(C)c1ccc(/C=C\C[N@@H+]2CCO[C@@](C)(C3CC3)C2)cc1 ZINC001474626061 1181595310 /nfs/dbraw/zinc/59/53/10/1181595310.db2.gz RYFCNWOIRKCHEI-PHWHVTFISA-N 0 0 300.446 3.267 20 10 DGCDRN O=S(=O)(Nc1ccc(O)c(F)c1)c1ccc2ccccc2c1 ZINC000200213149 1181615383 /nfs/dbraw/zinc/61/53/83/1181615383.db2.gz JSOBJOOYCMPTDY-UHFFFAOYSA-N 0 0 317.341 3.485 20 10 DGCDRN CO[C@@H](C(=O)NCc1ccc(N(C)C)cc1C)C1CCCCC1 ZINC001360273207 1181618153 /nfs/dbraw/zinc/61/81/53/1181618153.db2.gz GVEGSARFLOOBEV-GOSISDBHSA-N 0 0 318.461 3.273 20 10 DGCDRN C/C(=C\c1cccnc1)C(=O)N1C[C@@H](C)C(=O)Nc2ccccc21 ZINC001360533733 1181625881 /nfs/dbraw/zinc/62/58/81/1181625881.db2.gz JFCWAOHUTXCKDC-JWAFFJSPSA-N 0 0 321.380 3.106 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H]1c1cccs1 ZINC001440365635 1182037015 /nfs/dbraw/zinc/03/70/15/1182037015.db2.gz ASHGIUUGJPEDDQ-LBPRGKRZSA-N 0 0 303.383 3.066 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@H](O)C2CCCCCCC2)cc1 ZINC001440649740 1182044209 /nfs/dbraw/zinc/04/42/09/1182044209.db2.gz XHGAURYCSQWMQA-SFHVURJKSA-N 0 0 318.461 3.090 20 10 DGCDRN CCCC[N@H+](Cc1ccc(C(=O)[O-])n1C)Cc1ccccc1O ZINC001605278138 1193139733 /nfs/dbraw/zinc/13/97/33/1193139733.db2.gz NLTRQPOXWMCXIW-UHFFFAOYSA-N 0 0 316.401 3.231 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H](C)O[C@H]2C)cc1F ZINC001443764440 1182108933 /nfs/dbraw/zinc/10/89/33/1182108933.db2.gz AQYYCGKOCXJIBM-KCQAQPDRSA-N 0 0 322.424 3.102 20 10 DGCDRN Cc1ccnc(-c2ccc(NC(=O)C3=CC(=O)CS3)cc2)n1 ZINC001443857404 1182110452 /nfs/dbraw/zinc/11/04/52/1182110452.db2.gz DAYRORFFCYWRMY-UHFFFAOYSA-N 0 0 311.366 3.471 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NCCCc2cccs2)cc1 ZINC001446181152 1182163808 /nfs/dbraw/zinc/16/38/08/1182163808.db2.gz GJXHPOFNDLLBHO-UHFFFAOYSA-N 0 0 316.386 3.273 20 10 DGCDRN COc1c(OC(=O)c2cccc(O)c2O)ccc2ccccc21 ZINC001449795943 1182235692 /nfs/dbraw/zinc/23/56/92/1182235692.db2.gz UEKZBXHOJQUJNM-UHFFFAOYSA-N 0 0 310.305 3.479 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2Cc3cncnc3C2)cc1 ZINC001450311532 1182246164 /nfs/dbraw/zinc/24/61/64/1182246164.db2.gz HLPOZGLAQLKEPR-UHFFFAOYSA-N 0 0 318.380 3.040 20 10 DGCDRN CCCCCCC(=O)N(CC(=O)OCC)Cc1ccccc1O ZINC001451912531 1182278149 /nfs/dbraw/zinc/27/81/49/1182278149.db2.gz GSSRYDKSMWBMSO-UHFFFAOYSA-N 0 0 321.417 3.254 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CC2CCC1CC2 ZINC001452140650 1182282212 /nfs/dbraw/zinc/28/22/12/1182282212.db2.gz NGOWPJWSXRCHMX-OTZRUECQSA-N 0 0 301.386 3.054 20 10 DGCDRN COc1c[nH]nc1NC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001452683878 1182297172 /nfs/dbraw/zinc/29/71/72/1182297172.db2.gz BAQKVKSTNLJRJQ-UHFFFAOYSA-N 0 0 324.384 3.387 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cnnc(-c3ccccc3)c2)c1 ZINC001453653193 1182321518 /nfs/dbraw/zinc/32/15/18/1182321518.db2.gz USQOYGLGYXZLGY-UHFFFAOYSA-N 0 0 319.364 3.088 20 10 DGCDRN Cc1cc(F)c(CC(=O)N[C@H](C)c2ccccc2O)cc1F ZINC001454806863 1182353555 /nfs/dbraw/zinc/35/35/55/1182353555.db2.gz OVZFGDBWYQQPRR-LLVKDONJSA-N 0 0 305.324 3.399 20 10 DGCDRN C[C@H](NC(=O)c1sc2ncccc2c1N)c1ccccc1O ZINC001454812493 1182353904 /nfs/dbraw/zinc/35/39/04/1182353904.db2.gz ALULUJWWKOFMSR-VIFPVBQESA-N 0 0 313.382 3.075 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cncc(C(F)F)c1 ZINC001455007151 1182356987 /nfs/dbraw/zinc/35/69/87/1182356987.db2.gz SLZTZCGTMJFPOR-RQOWECAXSA-N 0 0 306.268 3.082 20 10 DGCDRN Cc1cn(-c2ccccc2)nc1C(=O)N1Cc2cccc(O)c2C1 ZINC001455037709 1182358907 /nfs/dbraw/zinc/35/89/07/1182358907.db2.gz UBFRHVBKYZQWCZ-UHFFFAOYSA-N 0 0 319.364 3.042 20 10 DGCDRN Cc1ccc(NC2CC2)c(C(=O)NCc2c(O)cccc2F)c1 ZINC001456030961 1182394848 /nfs/dbraw/zinc/39/48/48/1182394848.db2.gz UHJLVXQTQBYWND-UHFFFAOYSA-N 0 0 314.360 3.344 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1ccc(OC(F)F)cc1 ZINC001456093714 1182397206 /nfs/dbraw/zinc/39/72/06/1182397206.db2.gz NOYCNOBLJZAUKW-UHFFFAOYSA-N 0 0 311.259 3.063 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1cc(-c2ccccc2)ccn1 ZINC001456323450 1182409566 /nfs/dbraw/zinc/40/95/66/1182409566.db2.gz RWCQTWVMDZONSM-UHFFFAOYSA-N 0 0 320.348 3.090 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cc(Cl)c[nH]1 ZINC001456310606 1182409972 /nfs/dbraw/zinc/40/99/72/1182409972.db2.gz LAWFJKBCEIWJCS-UHFFFAOYSA-N 0 0 300.745 3.457 20 10 DGCDRN CCC[C@](C)(NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001457123712 1182445711 /nfs/dbraw/zinc/44/57/11/1182445711.db2.gz IEGBBRLEWQWYHL-IBGZPJMESA-N 0 0 313.397 3.472 20 10 DGCDRN CC[C@@H](CC(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC001458039141 1182491436 /nfs/dbraw/zinc/49/14/36/1182491436.db2.gz HSPNCRPPQCSIIQ-INIZCTEOSA-N 0 0 318.461 3.416 20 10 DGCDRN COC(=O)c1cc(OCc2ccc(F)cc2F)ccc1N(C)C ZINC001459233345 1182575330 /nfs/dbraw/zinc/57/53/30/1182575330.db2.gz DPZOJJAKFJXYSF-UHFFFAOYSA-N 0 0 321.323 3.396 20 10 DGCDRN COc1ccc(N(CCNC(=O)OC(C)(C)C)CC2CC2)cc1 ZINC001460133157 1182655448 /nfs/dbraw/zinc/65/54/48/1182655448.db2.gz WSCMYIDZEDLGOV-UHFFFAOYSA-N 0 0 320.433 3.436 20 10 DGCDRN CCc1cccc(C[NH2+]CCCCC2(C(=O)[O-])CCC2)c1O ZINC001605829089 1193176763 /nfs/dbraw/zinc/17/67/63/1193176763.db2.gz YCXNWJIYMCFSSR-UHFFFAOYSA-N 0 0 305.418 3.469 20 10 DGCDRN CN(C)[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])C1CCCCC1 ZINC001461050026 1182761022 /nfs/dbraw/zinc/76/10/22/1182761022.db2.gz JQZLKQIXHOOXHR-INIZCTEOSA-N 0 0 312.404 3.271 20 10 DGCDRN Cc1ccc(O[C@H](C)C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC001461247341 1182785584 /nfs/dbraw/zinc/78/55/84/1182785584.db2.gz ZOEPODNTSFKCMN-CYBMUJFWSA-N 0 0 316.357 3.166 20 10 DGCDRN Cc1cc(O)c(CNc2ccc(C)c(C(N)=O)c2)c(Cl)c1 ZINC001461316295 1182795009 /nfs/dbraw/zinc/79/50/09/1182795009.db2.gz OHMYBOMPXTVHFX-UHFFFAOYSA-N 0 0 304.777 3.373 20 10 DGCDRN CC[C@@H](C)[C@H](C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001461336852 1182796284 /nfs/dbraw/zinc/79/62/84/1182796284.db2.gz IULAGHYVSXKDHP-CABCVRRESA-N 0 0 306.450 3.272 20 10 DGCDRN CC[C@H](C)[C@@H](C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001461336855 1182796380 /nfs/dbraw/zinc/79/63/80/1182796380.db2.gz IULAGHYVSXKDHP-LSDHHAIUSA-N 0 0 306.450 3.272 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)C2CCC=CCC2)cc1 ZINC001461340144 1182797124 /nfs/dbraw/zinc/79/71/24/1182797124.db2.gz WEYXAAIMFZPPJN-UHFFFAOYSA-N 0 0 316.445 3.336 20 10 DGCDRN Cc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c(O)c1 ZINC001461903754 1182872323 /nfs/dbraw/zinc/87/23/23/1182872323.db2.gz ZXSKQJBURSWDDC-CQSZACIVSA-N 0 0 320.433 3.142 20 10 DGCDRN COCC[N@H+](Cc1ccc(C)o1)Cc1cc(F)c(F)cc1[O-] ZINC001461905912 1182873999 /nfs/dbraw/zinc/87/39/99/1182873999.db2.gz IMXXTTQVLLEJBN-UHFFFAOYSA-N 0 0 311.328 3.220 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1n[nH]cc1Br ZINC001462066433 1182903684 /nfs/dbraw/zinc/90/36/84/1182903684.db2.gz VXAPGCGTAAQAKD-UHFFFAOYSA-N 0 0 322.206 3.134 20 10 DGCDRN COC(=O)c1[nH]c(CN(C)c2ccc(OC)c(Cl)c2)cc1C ZINC001462072256 1182905059 /nfs/dbraw/zinc/90/50/59/1182905059.db2.gz DTSOCROZZPFXQT-UHFFFAOYSA-N 0 0 322.792 3.408 20 10 DGCDRN CC[C@@H]1CN(Cc2cc(C(C)C)ccc2O)C[C@H](C)[S@@]1=O ZINC001462218843 1182925463 /nfs/dbraw/zinc/92/54/63/1182925463.db2.gz HQWBGUAQKYGPLS-QSZISKGPSA-N 0 0 309.475 3.247 20 10 DGCDRN CC[C@@H]1CN(Cc2cc(F)c(N(C)C)cc2F)C[C@H](CC)O1 ZINC001462358745 1182942208 /nfs/dbraw/zinc/94/22/08/1182942208.db2.gz XTBYTLNPLZGJBC-OKILXGFUSA-N 0 0 312.404 3.420 20 10 DGCDRN COC(=O)c1c[nH]c(CN(C)c2ccc(OC)cc2)c1C1CC1 ZINC001462411454 1182949301 /nfs/dbraw/zinc/94/93/01/1182949301.db2.gz OFIAAQNBHVXKPM-UHFFFAOYSA-N 0 0 314.385 3.324 20 10 DGCDRN Cc1cc(C(N)=O)ccc1NCc1cc(Cl)c(F)cc1O ZINC001462622551 1182976102 /nfs/dbraw/zinc/97/61/02/1182976102.db2.gz NUAAOCPUPGAOTK-UHFFFAOYSA-N 0 0 308.740 3.204 20 10 DGCDRN COCC1(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)CCCCC1 ZINC001606840785 1193205957 /nfs/dbraw/zinc/20/59/57/1193205957.db2.gz KTZWNXJAUZFHLV-ZDUSSCGKSA-N 0 0 321.417 3.338 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)/C(C)=C/c2cccnc2)c1 ZINC001465992803 1183182332 /nfs/dbraw/zinc/18/23/32/1183182332.db2.gz MUDFQXKTTYHIHS-SRXBQZRASA-N 0 0 312.369 3.077 20 10 DGCDRN CCC[C@@H]1C[C@H]1C(=O)N1CCN(c2ccc(OCC)cc2)CC1 ZINC001466210712 1183193201 /nfs/dbraw/zinc/19/32/01/1183193201.db2.gz OUOAUQIISORMTD-CRAIPNDOSA-N 0 0 316.445 3.170 20 10 DGCDRN CCn1c2ccc(C)cc2nc1NC(=O)c1cccc(O)c1O ZINC001466404291 1183202572 /nfs/dbraw/zinc/20/25/72/1183202572.db2.gz NEASAAQYRZOPLP-UHFFFAOYSA-N 0 0 311.341 3.028 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@H](C3CCC3)C2)cc1 ZINC001467969234 1183300926 /nfs/dbraw/zinc/30/09/26/1183300926.db2.gz VEQZYBBZGRUDLC-QGZVFWFLSA-N 0 0 315.461 3.474 20 10 DGCDRN COc1cc(C)c(C[N@@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c(O)c1 ZINC001607148600 1193215615 /nfs/dbraw/zinc/21/56/15/1193215615.db2.gz KFWSPWVDZCLHSD-ZDUSSCGKSA-N 0 0 321.417 3.032 20 10 DGCDRN CC1(C)[C@@H](CNC(=O)c2cccc(O)c2O)[C@@H]1c1ccccc1 ZINC001468836019 1183363266 /nfs/dbraw/zinc/36/32/66/1183363266.db2.gz COROLWDIXJJJMO-HOCLYGCPSA-N 0 0 311.381 3.267 20 10 DGCDRN O=C(NCCOC1CCCCCC1)NCc1c(O)cccc1F ZINC001468838910 1183363714 /nfs/dbraw/zinc/36/37/14/1183363714.db2.gz YGCWKHCIGXWCJD-UHFFFAOYSA-N 0 0 324.396 3.070 20 10 DGCDRN CCON(CC1CCCCC1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001468868660 1183364353 /nfs/dbraw/zinc/36/43/53/1183364353.db2.gz GGFNCKXLTTYEDI-PKNBQFBNSA-N 0 0 319.401 3.471 20 10 DGCDRN C[C@@H]1CCc2ccccc2[C@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001546172184 1183384025 /nfs/dbraw/zinc/38/40/25/1183384025.db2.gz PFAJOSRXSYWNBQ-BLVKFPJESA-N 0 0 311.381 3.080 20 10 DGCDRN O=C(CCCc1c(F)cccc1F)NCc1ccc(O)cc1O ZINC001469161352 1183387021 /nfs/dbraw/zinc/38/70/21/1183387021.db2.gz YSFSPUYXNROKFJ-UHFFFAOYSA-N 0 0 321.323 3.015 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)c1sccc1F ZINC001469247741 1183393795 /nfs/dbraw/zinc/39/37/95/1183393795.db2.gz FNDUUKXFYHYHAJ-UHFFFAOYSA-N 0 0 302.330 3.071 20 10 DGCDRN CC1(C)CCC[C@H]1[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001469337974 1183401669 /nfs/dbraw/zinc/40/16/69/1183401669.db2.gz JHYRXBFCNKIVTO-GJZGRUSLSA-N 0 0 317.429 3.315 20 10 DGCDRN Cc1ccc([C@@H](NC(=O)c2cccc(O)c2O)C(F)(F)F)o1 ZINC001469541560 1183416338 /nfs/dbraw/zinc/41/63/38/1183416338.db2.gz GCSZBAXVQRSMLT-GFCCVEGCSA-N 0 0 315.247 3.033 20 10 DGCDRN C[C@@H](NC(=O)NCCc1ccc(F)c(F)c1)c1ccccc1O ZINC001469808545 1183440248 /nfs/dbraw/zinc/44/02/48/1183440248.db2.gz BGBQRMHNJSKALM-LLVKDONJSA-N 0 0 320.339 3.273 20 10 DGCDRN Cc1nc(NC(=O)c2cc3cc(O)c(O)cc3s2)oc1C ZINC001470257910 1183473708 /nfs/dbraw/zinc/47/37/08/1183473708.db2.gz ZUHMDPMRHRFPED-UHFFFAOYSA-N 0 0 304.327 3.170 20 10 DGCDRN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)NCc1cccc(Cl)c1O ZINC001471348767 1183557305 /nfs/dbraw/zinc/55/73/05/1183557305.db2.gz BDNCKNWUUYZAGI-XEZLXBQYSA-N 0 0 308.809 3.137 20 10 DGCDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)NCc1cccc(Cl)c1O ZINC001471348765 1183557515 /nfs/dbraw/zinc/55/75/15/1183557515.db2.gz BDNCKNWUUYZAGI-LPTSXCQYSA-N 0 0 308.809 3.137 20 10 DGCDRN O=C(NCc1cscc1Cl)NCc1c(O)cccc1F ZINC001471357593 1183558280 /nfs/dbraw/zinc/55/82/80/1183558280.db2.gz FJJZKGCILFBHRH-UHFFFAOYSA-N 0 0 314.769 3.246 20 10 DGCDRN O=C(c1c[nH]cc1Cc1ccccc1)N1Cc2cccc(O)c2C1 ZINC001471355542 1183558315 /nfs/dbraw/zinc/55/83/15/1183558315.db2.gz KEABGWCJAJGRDL-UHFFFAOYSA-N 0 0 318.376 3.467 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1ccc(C(F)(F)F)s1 ZINC001471661047 1183580470 /nfs/dbraw/zinc/58/04/70/1183580470.db2.gz FQOJJXXNEKCKFL-UHFFFAOYSA-N 0 0 317.288 3.108 20 10 DGCDRN COC(=O)c1cc(NC(=O)C2=CC(=O)CS2)ccc1SC ZINC001471945362 1183601134 /nfs/dbraw/zinc/60/11/34/1183601134.db2.gz MWOOHLGOLBGSRO-UHFFFAOYSA-N 0 0 323.395 3.215 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC001471975799 1183604350 /nfs/dbraw/zinc/60/43/50/1183604350.db2.gz HXHJRZAJCAXQPF-CMPLNLGQSA-N 0 0 321.298 3.229 20 10 DGCDRN CN(C)C(=O)Nc1cccc(NCc2cccc(F)c2O)c1 ZINC001621341702 1193232000 /nfs/dbraw/zinc/23/20/00/1193232000.db2.gz WMZYXFUENVOJNO-UHFFFAOYSA-N 0 0 303.337 3.237 20 10 DGCDRN C[C@]1(C(=O)NCc2c(O)cccc2F)CCc2ccccc2C1 ZINC001471975823 1183604457 /nfs/dbraw/zinc/60/44/57/1183604457.db2.gz ISGSCAAHPJGAPY-IBGZPJMESA-N 0 0 313.372 3.343 20 10 DGCDRN C[C@H](CC(=O)NCc1c(O)cccc1F)c1ccccc1F ZINC001471974628 1183604541 /nfs/dbraw/zinc/60/45/41/1183604541.db2.gz IHMQQDLTKUJEJQ-LLVKDONJSA-N 0 0 305.324 3.480 20 10 DGCDRN CCc1nnc(C)cc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001472084983 1183614583 /nfs/dbraw/zinc/61/45/83/1183614583.db2.gz JFZLPUWLJJQWJI-UHFFFAOYSA-N 0 0 321.380 3.136 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1C[C@H]1c1cccc(O)c1 ZINC001472317194 1183634163 /nfs/dbraw/zinc/63/41/63/1183634163.db2.gz ZCHJYPJSDPGYMM-UONOGXRCSA-N 0 0 317.772 3.171 20 10 DGCDRN CSCc1cccnc1C(=O)NCc1cccc(Cl)c1O ZINC001472316760 1183634413 /nfs/dbraw/zinc/63/44/13/1183634413.db2.gz GIDKSVSUHRGLFR-UHFFFAOYSA-N 0 0 322.817 3.234 20 10 DGCDRN Cn1c(=O)c([N+](=O)[O-])c(Sc2nccs2)c2ccccc21 ZINC001472666642 1183664018 /nfs/dbraw/zinc/66/40/18/1183664018.db2.gz RDHBOQUDBCYFBZ-UHFFFAOYSA-N 0 0 319.367 3.054 20 10 DGCDRN COC(=O)/C(C)=C\CN1C[C@@H](C(C)C)Cc2cc(OC)ccc21 ZINC001473570262 1183774811 /nfs/dbraw/zinc/77/48/11/1183774811.db2.gz ZXNZEQQAMPNMOS-VCHSTOLQSA-N 0 0 317.429 3.449 20 10 DGCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2CCc1ccnn1C ZINC001473570291 1183775442 /nfs/dbraw/zinc/77/54/42/1183775442.db2.gz QVFLLZDMZOTJCH-MRXNPFEDSA-N 0 0 313.445 3.306 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CC(F)(F)CC[C@@H]2C)c1O ZINC001473880190 1183817887 /nfs/dbraw/zinc/81/78/87/1183817887.db2.gz SXRJFSSEQRDVIE-VIFPVBQESA-N 0 0 301.308 3.354 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1[O-])c1ccc[nH]1 ZINC001474099338 1183867366 /nfs/dbraw/zinc/86/73/66/1183867366.db2.gz MGYPFKIRYDOQKA-MRVPVSSYSA-N 0 0 313.170 3.473 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC001474100692 1183867527 /nfs/dbraw/zinc/86/75/27/1183867527.db2.gz SXWCWBWEYZWQFH-DFBGVHRSSA-N 0 0 311.784 3.232 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H](CO)c1ccc(Cl)cc1 ZINC001474227275 1183885419 /nfs/dbraw/zinc/88/54/19/1183885419.db2.gz SIVLRQCKVCJVMQ-AWEZNQCLSA-N 0 0 313.731 3.147 20 10 DGCDRN Cn1cnc(-c2ccc(NCc3cccc(Cl)c3O)cc2)n1 ZINC001474428704 1183920701 /nfs/dbraw/zinc/92/07/01/1183920701.db2.gz NUHCXCKLEQFMAJ-UHFFFAOYSA-N 0 0 314.776 3.453 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)Nc1ccc(Cl)cn1 ZINC001476438177 1184039321 /nfs/dbraw/zinc/03/93/21/1184039321.db2.gz HAGJITNKJAVLNU-UHFFFAOYSA-N 0 0 312.156 3.416 20 10 DGCDRN C[C@@H](NC(=O)N(C)Cc1ccc(N2CCCC2)cc1)C(F)F ZINC001477035071 1184064263 /nfs/dbraw/zinc/06/42/63/1184064263.db2.gz DSLSGJNBGQBTQT-GFCCVEGCSA-N 0 0 311.376 3.082 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H]2CC3CCC2CC3)c1 ZINC001478863542 1184181077 /nfs/dbraw/zinc/18/10/77/1184181077.db2.gz ACOJYPLACLTLMF-NRXISQOPSA-N 0 0 302.418 3.326 20 10 DGCDRN C[C@H]1[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CC[C@H]1CC(=O)[O-] ZINC001609839051 1193359722 /nfs/dbraw/zinc/35/97/22/1193359722.db2.gz HJHAYZBKHAWMCS-UWWQBHOKSA-N 0 0 316.445 3.266 20 10 DGCDRN CCc1cc(C[N@H+]2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC001610058630 1193373774 /nfs/dbraw/zinc/37/37/74/1193373774.db2.gz LLPZTNRMHVGOLA-FOLVSLTJSA-N 0 0 317.429 3.015 20 10 DGCDRN CCc1oc(C[NH2+]Cc2ccc(N(C)C)cc2C)cc1C(=O)[O-] ZINC001610081694 1193375822 /nfs/dbraw/zinc/37/58/22/1193375822.db2.gz ROWRRPBRWHOXBK-UHFFFAOYSA-N 0 0 316.401 3.204 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cncc(F)c2Cl)c1 ZINC001610393174 1193385922 /nfs/dbraw/zinc/38/59/22/1193385922.db2.gz TUWYQNRUNWNSMC-QMMMGPOBSA-N 0 0 324.739 3.079 20 10 DGCDRN CC(C)(CCc1ccccc1)NC(=O)Cc1ccc(O)c(O)c1 ZINC001546294824 1186119245 /nfs/dbraw/zinc/11/92/45/1186119245.db2.gz URWJKSAUVHJEJQ-UHFFFAOYSA-N 0 0 313.397 3.168 20 10 DGCDRN C/C(=C/C(=O)N1CCCc2ccc(F)c(F)c21)c1cnccn1 ZINC001518262609 1186836733 /nfs/dbraw/zinc/83/67/33/1186836733.db2.gz NBSIFZHKIODYPO-LUAWRHEFSA-N 0 0 315.323 3.138 20 10 DGCDRN C[C@H]1CCCN(c2nnc(C3SC=CC3=O)n2CC2CC2)C1 ZINC001518342451 1186837868 /nfs/dbraw/zinc/83/78/68/1186837868.db2.gz AURCVPOOUVWVFL-NSHDSACASA-N 0 0 318.446 3.359 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)C1(C)CC1 ZINC001519811608 1186896958 /nfs/dbraw/zinc/89/69/58/1186896958.db2.gz GPKNLJXBUYKXIZ-AWEZNQCLSA-N 0 0 303.450 3.473 20 10 DGCDRN CC[C@@H]1[C@H](C)CCN1c1nnc(C2SC=CC2=O)n1CC ZINC001520737653 1186964554 /nfs/dbraw/zinc/96/45/54/1186964554.db2.gz ANCZPWNABZGGSH-GHMZBOCLSA-N 0 0 306.435 3.357 20 10 DGCDRN Cc1cc(CC(=O)Nc2ccnc(C)c2)c(C)n1-c1ccccc1 ZINC001521203112 1187004338 /nfs/dbraw/zinc/00/43/38/1187004338.db2.gz OURHDDGUIYSCSV-UHFFFAOYSA-N 0 0 319.408 3.401 20 10 DGCDRN C[C@H]1CCc2c(C(=O)NCc3cccc(O)c3O)csc2C1 ZINC001521851647 1187052680 /nfs/dbraw/zinc/05/26/80/1187052680.db2.gz OYAXAMCKSIGUNQ-JTQLQIEISA-N 0 0 317.410 3.214 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccsn1 ZINC001523554303 1187171372 /nfs/dbraw/zinc/17/13/72/1187171372.db2.gz SZKDBWGPUGHZSK-UHFFFAOYSA-N 0 0 301.415 3.016 20 10 DGCDRN CCCNC(=S)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000013811824 1193485011 /nfs/dbraw/zinc/48/50/11/1193485011.db2.gz OEFSKHCLSHJDMB-UHFFFAOYSA-N 0 0 324.405 3.158 20 10 DGCDRN CCCCN(C)c1nnc(C)n1Cc1ccc(N(C)C)cc1C ZINC001614486404 1193486837 /nfs/dbraw/zinc/48/68/37/1193486837.db2.gz ZCNQUNYAZBKOMC-UHFFFAOYSA-N 0 0 315.465 3.246 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)CCC2(C)CC2)cc1 ZINC001527596251 1187438157 /nfs/dbraw/zinc/43/81/57/1187438157.db2.gz SSRZNLLMGXOZRK-UHFFFAOYSA-N 0 0 304.434 3.170 20 10 DGCDRN Cc1cc(CC(=O)Nc2ccncc2F)c(C)n1-c1ccccc1 ZINC001527655123 1187440995 /nfs/dbraw/zinc/44/09/95/1187440995.db2.gz HJVTXDLOOIJFPQ-UHFFFAOYSA-N 0 0 323.371 3.231 20 10 DGCDRN COC(=O)c1cccnc1CSc1ncc(Cl)s1 ZINC001614769232 1193505698 /nfs/dbraw/zinc/50/56/98/1193505698.db2.gz ZMDDQHSKDYPEMU-UHFFFAOYSA-N 0 0 300.792 3.270 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2C[C@]2(C)C(C)C)cc1 ZINC001531374427 1187682997 /nfs/dbraw/zinc/68/29/97/1187682997.db2.gz CCCWVSDRUQWYMB-PKOBYXMFSA-N 0 0 318.461 3.272 20 10 DGCDRN C/C(=C/c1cccnc1)C(=O)N1CCOc2c(F)ccc(F)c21 ZINC001531417401 1187686830 /nfs/dbraw/zinc/68/68/30/1187686830.db2.gz UQXMVNGWRFKCLQ-LUAWRHEFSA-N 0 0 316.307 3.189 20 10 DGCDRN C/C(=C/C(C)(C)C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001532654967 1187775023 /nfs/dbraw/zinc/77/50/23/1187775023.db2.gz HFWQRDZTUHXLGZ-SEYXRHQNSA-N 0 0 302.418 3.470 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C(/C)c2cnccn2)cc1Cl ZINC001534783010 1187921529 /nfs/dbraw/zinc/92/15/29/1187921529.db2.gz VIIYJYFFMYVMTF-FLIBITNWSA-N 0 0 317.776 3.205 20 10 DGCDRN C=C/C=C\CCN(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC001615936008 1193531106 /nfs/dbraw/zinc/53/11/06/1193531106.db2.gz YLVDFCWAHIUBSS-PLNGDYQASA-N 0 0 309.793 3.153 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@H]1CCC(C)(C)CO1 ZINC001537803545 1188100616 /nfs/dbraw/zinc/10/06/16/1188100616.db2.gz SMRRKPWDOQJEJB-QGZVFWFLSA-N 0 0 318.461 3.273 20 10 DGCDRN Cc1ncccc1CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001539467858 1188191803 /nfs/dbraw/zinc/19/18/03/1188191803.db2.gz GIESHQCIHMCCDQ-UHFFFAOYSA-N 0 0 323.440 3.191 20 10 DGCDRN CO[C@@H]1CC[C@@H]1N(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001539778411 1188203381 /nfs/dbraw/zinc/20/33/81/1188203381.db2.gz SBBRCHHTSOQIEA-ZWKOTPCHSA-N 0 0 312.413 3.344 20 10 DGCDRN CNc1ccc(Cl)c(C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC001540417219 1188238551 /nfs/dbraw/zinc/23/85/51/1188238551.db2.gz CNBOJMICXLWGET-UHFFFAOYSA-N 0 0 317.820 3.378 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCc3sccc3C2)cc1 ZINC001540558630 1188246400 /nfs/dbraw/zinc/24/64/00/1188246400.db2.gz UHOOFFDGZHOYEY-UHFFFAOYSA-N 0 0 314.370 3.109 20 10 DGCDRN CC(C)N(Cc1ccc(F)cc1)C(=O)c1cccc(O)c1O ZINC001542391799 1188283655 /nfs/dbraw/zinc/28/36/55/1188283655.db2.gz OQIANMDMGNLUOS-UHFFFAOYSA-N 0 0 303.333 3.288 20 10 DGCDRN O=C(CSC1CC1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001543447719 1188334498 /nfs/dbraw/zinc/33/44/98/1188334498.db2.gz SOHGGASACYVVCK-UHFFFAOYSA-N 0 0 324.409 3.230 20 10 DGCDRN O=C(Nc1cc2c(cc1Cl)OCCO2)C1=CC(=O)CS1 ZINC001543782599 1188363379 /nfs/dbraw/zinc/36/33/79/1188363379.db2.gz RIVDYMDLFGRPCS-UHFFFAOYSA-N 0 0 311.746 3.131 20 10 DGCDRN CCC/C=C\[C@@H](O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC001544884436 1188413439 /nfs/dbraw/zinc/41/34/39/1188413439.db2.gz FTMMRKLCKLTSRE-CNZFZVQHSA-N 0 0 318.461 3.207 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CC2(CCCC2)c2ccccc21 ZINC001545275443 1188426856 /nfs/dbraw/zinc/42/68/56/1188426856.db2.gz KIDNLORHJSRAJY-UHFFFAOYSA-N 0 0 323.392 3.499 20 10 DGCDRN Cc1cc(C(=O)Nc2nccn2C)c(C)n1-c1ccccc1C ZINC001557042038 1189037698 /nfs/dbraw/zinc/03/76/98/1189037698.db2.gz WTGWMBLFNLNTEQ-UHFFFAOYSA-N 0 0 308.385 3.388 20 10 DGCDRN C[C@H]1[C@H](c2cccc(F)c2)OCCN1C(=O)C1=CC(=O)CS1 ZINC001557159293 1189046171 /nfs/dbraw/zinc/04/61/71/1189046171.db2.gz HMKHHTASDJDWQB-ZUZCIYMTSA-N 0 0 321.373 3.195 20 10 DGCDRN COCc1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001557385418 1189060968 /nfs/dbraw/zinc/06/09/68/1189060968.db2.gz CHJCCSLOAKAZOX-UHFFFAOYSA-N 0 0 305.761 3.122 20 10 DGCDRN Cc1cc(C(=O)NC/C=C/CO)c(C)n1-c1ccc(Cl)cc1 ZINC001557427428 1189064276 /nfs/dbraw/zinc/06/42/76/1189064276.db2.gz CPJCWYFXSAKOPY-ONEGZZNKSA-N 0 0 318.804 3.026 20 10 DGCDRN COc1cc(C)c(C)cc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001557462392 1189065971 /nfs/dbraw/zinc/06/59/71/1189065971.db2.gz SAZFQKXZASOYQA-FNORWQNLSA-N 0 0 313.353 3.375 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2nc(Cl)sc2Cl)c1 ZINC001557552748 1189071811 /nfs/dbraw/zinc/07/18/11/1189071811.db2.gz MOWPYNXAQAFOTD-UHFFFAOYSA-N 0 0 317.197 3.394 20 10 DGCDRN COc1ccc(F)c(C(=O)N[C@H](C)c2ccccc2O)c1OC ZINC001557967278 1189094882 /nfs/dbraw/zinc/09/48/82/1189094882.db2.gz YZUZWGAGHIMMHB-SNVBAGLBSA-N 0 0 319.332 3.040 20 10 DGCDRN O=C(c1c(Cl)cncc1Cl)N1Cc2cccc(O)c2C1 ZINC001558035279 1189100744 /nfs/dbraw/zinc/10/07/44/1189100744.db2.gz FMMNVYMDBPXATB-UHFFFAOYSA-N 0 0 309.152 3.250 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cnc(-c2ccco2)s1 ZINC001558454788 1189126137 /nfs/dbraw/zinc/12/61/37/1189126137.db2.gz MGDLGMVICSCAMA-UHFFFAOYSA-N 0 0 318.329 3.178 20 10 DGCDRN C[C@H](CCc1cccc(F)c1)C(=O)NCc1c(O)cccc1O ZINC001558533850 1189131843 /nfs/dbraw/zinc/13/18/43/1189131843.db2.gz LQPDPNKNSMXLMR-GFCCVEGCSA-N 0 0 317.360 3.122 20 10 DGCDRN CC(C)Cn1nccc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001558553815 1189133251 /nfs/dbraw/zinc/13/32/51/1189133251.db2.gz BIDNCPNEWQRUAJ-UHFFFAOYSA-N 0 0 323.396 3.328 20 10 DGCDRN Cc1ccc([N+](=O)[O-])c(NCc2ccc3cccnc3c2O)n1 ZINC001559216868 1189181654 /nfs/dbraw/zinc/18/16/54/1189181654.db2.gz QQVNRYABSOFDSW-UHFFFAOYSA-N 0 0 310.313 3.164 20 10 DGCDRN COC(=O)c1cnc(SCc2csc([N+](=O)[O-])c2)s1 ZINC001559416221 1189203001 /nfs/dbraw/zinc/20/30/01/1189203001.db2.gz AQPYCWCGDPHHAM-UHFFFAOYSA-N 0 0 316.385 3.192 20 10 DGCDRN Oc1ccccc1CN(Cc1ccco1)Cc1cnns1 ZINC001559634048 1189224943 /nfs/dbraw/zinc/22/49/43/1189224943.db2.gz IBBUIZJZFGKMOZ-UHFFFAOYSA-N 0 0 301.371 3.039 20 10 DGCDRN C[C@@H](COc1cccc(F)c1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001560286371 1189305268 /nfs/dbraw/zinc/30/52/68/1189305268.db2.gz FVTMHBPLNKFRDL-JTQLQIEISA-N 0 0 311.303 3.367 20 10 DGCDRN Cn1c2ccccc2nc1CNCc1c(O)cccc1Cl ZINC001560313130 1189309786 /nfs/dbraw/zinc/30/97/86/1189309786.db2.gz IQSIOZOAAIMUJQ-UHFFFAOYSA-N 0 0 301.777 3.222 20 10 DGCDRN CCN(CC)c1ccc(CNc2ccc(NC(C)=O)cn2)cc1 ZINC001560436780 1189328448 /nfs/dbraw/zinc/32/84/48/1189328448.db2.gz QPZLKADMLJHSKF-UHFFFAOYSA-N 0 0 312.417 3.498 20 10 DGCDRN [O-]c1cc(Cl)ccc1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC001560869394 1189397258 /nfs/dbraw/zinc/39/72/58/1189397258.db2.gz GGGMJIBTJILFRN-UHFFFAOYSA-N 0 0 322.758 3.162 20 10 DGCDRN CC(C)[C@H]([NH2+]Cc1cc(F)c(F)cc1[O-])C1(CO)CCCC1 ZINC001560874246 1189397874 /nfs/dbraw/zinc/39/78/74/1189397874.db2.gz REAVQDAMCZODKP-INIZCTEOSA-N 0 0 313.388 3.337 20 10 DGCDRN COc1cc(C(N)=O)ccc1NCc1cc(C(C)C)ccc1O ZINC001560883516 1189400035 /nfs/dbraw/zinc/40/00/35/1189400035.db2.gz XRQHZYQEAZYPIB-UHFFFAOYSA-N 0 0 314.385 3.235 20 10 DGCDRN Oc1cc(F)c(F)cc1CN1CCS[C@@H](C(F)(F)F)C1 ZINC001561008769 1189419620 /nfs/dbraw/zinc/41/96/20/1189419620.db2.gz IVAMXGSJVMXUFJ-LLVKDONJSA-N 0 0 313.291 3.150 20 10 DGCDRN COCCOC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC001561178666 1189433593 /nfs/dbraw/zinc/43/35/93/1189433593.db2.gz GBTWJRRUULNBAJ-UHFFFAOYSA-N 0 0 320.433 3.328 20 10 DGCDRN C=Cc1ccc(S(=O)(=O)NCc2cccc(Cl)c2O)cc1 ZINC001562008626 1189470238 /nfs/dbraw/zinc/47/02/38/1189470238.db2.gz VUZICRPPJPTUNG-UHFFFAOYSA-N 0 0 323.801 3.167 20 10 DGCDRN CCOCc1cccc(NC(=O)NCc2c(O)cccc2F)c1 ZINC001562315000 1189479606 /nfs/dbraw/zinc/47/96/06/1189479606.db2.gz ZMZWGZRGBMWGJS-UHFFFAOYSA-N 0 0 318.348 3.390 20 10 DGCDRN COc1ccc(F)c(NC(=O)N2Cc3cccc(O)c3C2)c1 ZINC001562479274 1189482831 /nfs/dbraw/zinc/48/28/31/1189482831.db2.gz GTZWIKWTVZNRNM-UHFFFAOYSA-N 0 0 302.305 3.088 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCCc2cc(F)ccc2F)c1 ZINC001564219342 1189558605 /nfs/dbraw/zinc/55/86/05/1189558605.db2.gz VUNRADIFDNQSQJ-UHFFFAOYSA-N 0 0 320.339 3.021 20 10 DGCDRN COc1cccc(F)c1CNC(=O)N[C@@H](C)c1ccccc1O ZINC001565410829 1189643775 /nfs/dbraw/zinc/64/37/75/1189643775.db2.gz AXWWDAHVVGMZEB-NSHDSACASA-N 0 0 318.348 3.100 20 10 DGCDRN O=C(NCc1c(O)cccc1F)NC[C@H]1C[C@H]1C1CCCC1 ZINC001565481154 1189649033 /nfs/dbraw/zinc/64/90/33/1189649033.db2.gz HWFWONKZMARMBR-OLZOCXBDSA-N 0 0 306.381 3.157 20 10 DGCDRN CCOC(=O)Nc1ccc(OC(=O)C2=CC(=O)CS2)cc1 ZINC001565646038 1189660787 /nfs/dbraw/zinc/66/07/87/1189660787.db2.gz ZZFBESWCXXDQPT-UHFFFAOYSA-N 0 0 307.327 3.241 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC2(C)CC2)c1 ZINC001566203118 1189751892 /nfs/dbraw/zinc/75/18/92/1189751892.db2.gz LLFPBEQGHBBVSN-UHFFFAOYSA-N 0 0 310.397 3.437 20 10 DGCDRN CCc1ccc(C(C)(C)NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001566216285 1189753796 /nfs/dbraw/zinc/75/37/96/1189753796.db2.gz JFCFHDMWAJRAFB-UHFFFAOYSA-N 0 0 313.397 3.254 20 10 DGCDRN Cc1c2ccccc2c(=O)oc1C(=O)N(C)Cc1ccccc1O ZINC001566303842 1189760716 /nfs/dbraw/zinc/76/07/16/1189760716.db2.gz GUMHTBKTSQSYBH-UHFFFAOYSA-N 0 0 323.348 3.079 20 10 DGCDRN C[C@H](NC(=O)c1onc2ccccc21)c1ccc(N(C)C)cc1 ZINC001567778890 1190296152 /nfs/dbraw/zinc/29/61/52/1190296152.db2.gz LDTUDNQRDIQLTI-LBPRGKRZSA-N 0 0 309.369 3.385 20 10 DGCDRN Cc1ccc(F)c(N)c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001567778728 1190296490 /nfs/dbraw/zinc/29/64/90/1190296490.db2.gz JXCVTJFWUFJLGZ-GFCCVEGCSA-N 0 0 315.392 3.273 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)sc1C=O ZINC001567777405 1190296558 /nfs/dbraw/zinc/29/65/58/1190296558.db2.gz VVDCURCGNBMZMH-LBPRGKRZSA-N 0 0 316.426 3.426 20 10 DGCDRN C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1cccc(O)c1 ZINC001568279624 1190471392 /nfs/dbraw/zinc/47/13/92/1190471392.db2.gz FPSHUNQMNJTAQR-JTQLQIEISA-N 0 0 312.329 3.046 20 10 DGCDRN O=C(N[C@@H]1CCCc2c(F)cccc21)c1cccc(O)c1O ZINC001569845975 1190762537 /nfs/dbraw/zinc/76/25/37/1190762537.db2.gz LWZFMMFLSFXTIZ-CQSZACIVSA-N 0 0 301.317 3.044 20 10 DGCDRN CC(C)[C@H]1N(C(=O)Cc2ccc(O)c(O)c2)CC12CCCC2 ZINC001570309120 1190837521 /nfs/dbraw/zinc/83/75/21/1190837521.db2.gz MAWBLIJYGAQCMW-QGZVFWFLSA-N 0 0 303.402 3.068 20 10 DGCDRN Cc1ccc(CN(C)C(=O)/C=C\c2ccc(O)c(O)c2)cc1C ZINC001570328337 1190839038 /nfs/dbraw/zinc/83/90/38/1190839038.db2.gz OWNXWEZDAGHQOH-CLFYSBASSA-N 0 0 311.381 3.386 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCc2sc(Cl)cc2C1 ZINC001570695703 1190919940 /nfs/dbraw/zinc/91/99/40/1190919940.db2.gz VVKZMRRFOVUDIJ-UHFFFAOYSA-N 0 0 309.774 3.011 20 10 DGCDRN O=C(NCC=C(Cl)Cl)c1cc2cc(O)c(O)cc2s1 ZINC001570869615 1190968938 /nfs/dbraw/zinc/96/89/38/1190968938.db2.gz QTERVGFUNAQZGQ-UHFFFAOYSA-N 0 0 318.181 3.361 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@H]2[C@@H]2CCCO2)cc1 ZINC001570898335 1190972571 /nfs/dbraw/zinc/97/25/71/1190972571.db2.gz QLMBTJUVXUUUDL-QRVBRYPASA-N 0 0 324.424 3.391 20 10 DGCDRN C[C@H](Cc1ccsc1)N(C)C(=O)NCc1ccc(N)cc1 ZINC001576065350 1191525844 /nfs/dbraw/zinc/52/58/44/1191525844.db2.gz CCBMDCSNOLDUEO-GFCCVEGCSA-N 0 0 303.431 3.103 20 10 DGCDRN COCc1nc(CNCc2cc(C(C)C)ccc2O)cs1 ZINC001621364628 1193833846 /nfs/dbraw/zinc/83/38/46/1193833846.db2.gz PTFGGPTXIUAEQX-UHFFFAOYSA-N 0 0 306.431 3.408 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH+]1CC(Cc2ccc(F)cc2)C1 ZINC001621379706 1193836067 /nfs/dbraw/zinc/83/60/67/1193836067.db2.gz DJKIBFAJHAKIOY-UHFFFAOYSA-N 0 0 307.315 3.484 20 10 DGCDRN Cc1cc(O)c(CN2c3ccccc3C[C@@H]2CO)cc1Cl ZINC001621411996 1193839593 /nfs/dbraw/zinc/83/95/93/1193839593.db2.gz ASHAPUZHBHSUDM-CQSZACIVSA-N 0 0 303.789 3.278 20 10 DGCDRN Cn1cc(NCc2cc(F)c(F)cc2O)c(-c2ccco2)n1 ZINC001621444538 1193843628 /nfs/dbraw/zinc/84/36/28/1193843628.db2.gz QRLUAGKGUOIHEZ-UHFFFAOYSA-N 0 0 305.284 3.276 20 10 DGCDRN C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001621496398 1193850151 /nfs/dbraw/zinc/85/01/51/1193850151.db2.gz GPCGAFBHTHZVQE-BBRMVZONSA-N 0 0 311.381 3.045 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)C2(C(C)C)COC2)cc1 ZINC001623451661 1193933300 /nfs/dbraw/zinc/93/33/00/1193933300.db2.gz LWCIRWHZAMHIBY-UHFFFAOYSA-N 0 0 318.461 3.164 20 10 DGCDRN CC[C@H](NC(=O)c1cccc(O)c1O)c1ccc(C)c(F)c1 ZINC001624238583 1193988245 /nfs/dbraw/zinc/98/82/45/1193988245.db2.gz HMIXEEICXVBOAT-AWEZNQCLSA-N 0 0 303.333 3.426 20 10 DGCDRN COc1ccc(-n2c(C)cc(C(=O)NOC3CCC3)c2C)cc1 ZINC001624399231 1193995355 /nfs/dbraw/zinc/99/53/55/1193995355.db2.gz REOXAXICABGISD-UHFFFAOYSA-N 0 0 314.385 3.317 20 10 DGCDRN Cc1ccccc1[C@@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001625179149 1194036488 /nfs/dbraw/zinc/03/64/88/1194036488.db2.gz KVMRWKFQQWTFCZ-INIZCTEOSA-N 0 0 311.381 3.312 20 10 DGCDRN CCO[C@H]1[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)[C@@H]1C ZINC001625240820 1194039820 /nfs/dbraw/zinc/03/98/20/1194039820.db2.gz SMNXQFWQUXNLED-BMGDILEWSA-N 0 0 318.461 3.161 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)Nc1cnn2ccccc12 ZINC001626586481 1194084091 /nfs/dbraw/zinc/08/40/91/1194084091.db2.gz NOQYKKJNUXZYQE-UHFFFAOYSA-N 0 0 316.748 3.015 20 10 DGCDRN C[C@@H]1CCC[C@H](C2CN(C(=O)/C=C\c3ccc(O)c(O)c3)C2)C1 ZINC001649210821 1194107184 /nfs/dbraw/zinc/10/71/84/1194107184.db2.gz ABKMZKPBFTZULJ-HYWNAFCQSA-N 0 0 315.413 3.396 20 10 DGCDRN O=C(/C=C\c1ccsc1)NCc1ccc2cccnc2c1O ZINC001627072662 1194110638 /nfs/dbraw/zinc/11/06/38/1194110638.db2.gz DCMLIFMBSLBSPI-UTCJRWHESA-N 0 0 310.378 3.332 20 10 DGCDRN CC(C)c1nc2ccccn2c1NC(=O)NCc1ccccc1O ZINC001627646028 1194138315 /nfs/dbraw/zinc/13/83/15/1194138315.db2.gz KJNFWIIACKCRRA-UHFFFAOYSA-N 0 0 324.384 3.485 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCc2ccco2)c1 ZINC001628444588 1194179048 /nfs/dbraw/zinc/17/90/48/1194179048.db2.gz IICIAISSBZYNPF-UHFFFAOYSA-N 0 0 322.364 3.430 20 10 DGCDRN O=C(Cc1ccc(F)cc1F)NCc1cc(Cl)ccc1O ZINC001628667626 1194190823 /nfs/dbraw/zinc/19/08/23/1194190823.db2.gz YPWZTQFZKAZWDO-UHFFFAOYSA-N 0 0 311.715 3.183 20 10 DGCDRN Cc1ccc2c(c1)CN(C(=O)/C=C/c1ccc(O)c(O)c1)CC2 ZINC001628748501 1194194824 /nfs/dbraw/zinc/19/48/24/1194194824.db2.gz YWLNSKLCNRKSJV-QPJJXVBHSA-N 0 0 309.365 3.004 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)/C=C\c2ccc(C=O)cc2)cc1 ZINC001628793481 1194196965 /nfs/dbraw/zinc/19/69/65/1194196965.db2.gz LJTNGUWUWMLARU-RAXLEYEMSA-N 0 0 322.408 3.237 20 10 DGCDRN CCC(C)(C)[C@H](O)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001628954953 1194205521 /nfs/dbraw/zinc/20/55/21/1194205521.db2.gz UZCXIPPWXGOIFZ-QGZVFWFLSA-N 0 0 318.461 3.042 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCCC(C)(C)C2CC2)cc1 ZINC001629377177 1194230218 /nfs/dbraw/zinc/23/02/18/1194230218.db2.gz RTDYPQUPFSXPGN-UHFFFAOYSA-N 0 0 303.450 3.378 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC[C@H]2C[C@H]2C2CCCC2)cc1 ZINC001629377229 1194230561 /nfs/dbraw/zinc/23/05/61/1194230561.db2.gz UBUFAHYWIGQSEV-AEFFLSMTSA-N 0 0 315.461 3.378 20 10 DGCDRN CO[C@@H](C)CN(C(=O)c1cc2cc(O)c(O)cc2s1)C(C)C ZINC001629483022 1194236285 /nfs/dbraw/zinc/23/62/85/1194236285.db2.gz FZSUKMKWWBYEKO-JTQLQIEISA-N 0 0 323.414 3.198 20 10 DGCDRN COc1ccc(C(=O)NCc2cc(C)ccc2O)c(Cl)c1 ZINC001629740838 1194250544 /nfs/dbraw/zinc/25/05/44/1194250544.db2.gz QLGHBTWUWFNBQQ-UHFFFAOYSA-N 0 0 305.761 3.293 20 10 DGCDRN C=C/C=C\CCNC(=O)NCc1ccc(N(CC)CC)cc1 ZINC001629811984 1194253472 /nfs/dbraw/zinc/25/34/72/1194253472.db2.gz MPYBNXUBAYNKON-FPLPWBNLSA-N 0 0 301.434 3.464 20 10 DGCDRN C=C/C=C/CCNC(=O)NCc1ccc(N(CC)CC)cc1 ZINC001629811983 1194253497 /nfs/dbraw/zinc/25/34/97/1194253497.db2.gz MPYBNXUBAYNKON-BQYQJAHWSA-N 0 0 301.434 3.464 20 10 DGCDRN CC[C@@H](C)[C@@H](O)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001629989652 1194263258 /nfs/dbraw/zinc/26/32/58/1194263258.db2.gz CLEHKYDGJZENAF-ACJLOTCBSA-N 0 0 314.429 3.231 20 10 DGCDRN CC(C)N(Cc1cccs1)C(=O)Cc1ccc(O)c(O)c1 ZINC001631209287 1194325388 /nfs/dbraw/zinc/32/53/88/1194325388.db2.gz VGCVYTDBSCGLSY-UHFFFAOYSA-N 0 0 305.399 3.139 20 10 DGCDRN Cc1ccc(/C=C/C(=O)NCc2c(O)ccc3c2CCCC3)cn1 ZINC001631439067 1194335229 /nfs/dbraw/zinc/33/52/29/1194335229.db2.gz UBNLCSVXYATDSZ-DHZHZOJOSA-N 0 0 322.408 3.304 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001631505584 1194338281 /nfs/dbraw/zinc/33/82/81/1194338281.db2.gz GPGZSYPWJDMFJP-HDMKZQKVSA-N 0 0 315.461 3.296 20 10 DGCDRN Cc1cc(CNC(=O)c2ncccc2N)c(C)n1-c1ccccc1 ZINC001631793739 1194355549 /nfs/dbraw/zinc/35/55/49/1194355549.db2.gz FCYRSNHANIGWDJ-UHFFFAOYSA-N 0 0 320.396 3.001 20 10 DGCDRN Cc1ccc(COCC(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001632228049 1194377742 /nfs/dbraw/zinc/37/77/42/1194377742.db2.gz JZBIJHWQHRMIME-UHFFFAOYSA-N 0 0 319.788 3.187 20 10 DGCDRN Cc1ccc2cccc(C(=O)N3Cc4cccc(O)c4C3)c2n1 ZINC001632709168 1194402701 /nfs/dbraw/zinc/40/27/01/1194402701.db2.gz NGEAHDOFQNSGFF-UHFFFAOYSA-N 0 0 304.349 3.405 20 10 DGCDRN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1Cc2cccc(O)c2C1 ZINC001632703738 1194402990 /nfs/dbraw/zinc/40/29/90/1194402990.db2.gz OVMWPJDTXVGJFW-UHFFFAOYSA-N 0 0 318.716 3.110 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCCC2(CCCC2)CC1 ZINC001632735987 1194404942 /nfs/dbraw/zinc/40/49/42/1194404942.db2.gz IHUAGODZFCYYAK-UHFFFAOYSA-N 0 0 303.402 3.213 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccns2)cc1F ZINC001633263538 1194428528 /nfs/dbraw/zinc/42/85/28/1194428528.db2.gz JGCICJLTBQGDFC-UHFFFAOYSA-N 0 0 307.394 3.058 20 10 DGCDRN CCNc1ncc(C(=O)NCc2cc(C)ccc2O)cc1Cl ZINC001633286542 1194429884 /nfs/dbraw/zinc/42/98/84/1194429884.db2.gz HDMQYXRZVVULGK-UHFFFAOYSA-N 0 0 319.792 3.111 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CCOc2ccccc2Cl)c1 ZINC001633282100 1194430092 /nfs/dbraw/zinc/43/00/92/1194430092.db2.gz CXTJHMHGFAMHHO-UHFFFAOYSA-N 0 0 319.788 3.439 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCc3ccccc32)cc1 ZINC001633602800 1194445152 /nfs/dbraw/zinc/44/51/52/1194445152.db2.gz BMIKDICOVHUPFR-CQSZACIVSA-N 0 0 322.368 3.309 20 10 DGCDRN CC(C)COc1ccccc1C(=O)NCc1cc(O)ccc1O ZINC001633595092 1194445189 /nfs/dbraw/zinc/44/51/89/1194445189.db2.gz HYXMWBCFJILERA-UHFFFAOYSA-N 0 0 315.369 3.063 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)NC1Cc2ccccc2C1 ZINC001634049698 1194471564 /nfs/dbraw/zinc/47/15/64/1194471564.db2.gz NVVXLSNXEOKGMI-UHFFFAOYSA-N 0 0 316.788 3.012 20 10 DGCDRN CSc1ccc([C@H](C)NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001634127982 1194474787 /nfs/dbraw/zinc/47/47/87/1194474787.db2.gz JPFFIPLKVFRTGF-NSHDSACASA-N 0 0 317.410 3.240 20 10 DGCDRN CC(C)[C@H]1CCC[C@@H](NC(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001634581798 1194503556 /nfs/dbraw/zinc/50/35/56/1194503556.db2.gz FKVPHUSFJSOLHP-LSDHHAIUSA-N 0 0 305.418 3.361 20 10 DGCDRN O=C(NCc1c(O)cccc1F)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001634725104 1194512007 /nfs/dbraw/zinc/51/20/07/1194512007.db2.gz NWQRQMZRXCLPKL-DOMZBBRYSA-N 0 0 318.323 3.026 20 10 DGCDRN CC[C@@H](C)c1ncc(NC(=O)/C=C\c2ccc(O)c(O)c2)cn1 ZINC001635030332 1194528709 /nfs/dbraw/zinc/52/87/09/1194528709.db2.gz SOJWHXVSXCLDTI-JPVGGKMYSA-N 0 0 313.357 3.053 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cc(F)c(F)cc1Cl ZINC001635360923 1194546781 /nfs/dbraw/zinc/54/67/81/1194546781.db2.gz UJJVMFIXVFLKRD-UHFFFAOYSA-N 0 0 315.678 3.393 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cc(F)c(F)c(F)c1F ZINC001635360971 1194547004 /nfs/dbraw/zinc/54/70/04/1194547004.db2.gz URDCTHUOHBNFTB-UHFFFAOYSA-N 0 0 317.213 3.018 20 10 DGCDRN C[C@H](NC(=O)c1cnn2cccc(Cl)c12)c1ccccc1O ZINC001635803597 1194573663 /nfs/dbraw/zinc/57/36/63/1194573663.db2.gz HCOCLOAHALGZLL-JTQLQIEISA-N 0 0 315.760 3.184 20 10 DGCDRN CC(C)COc1ccc(C(=O)NCc2c(O)cccc2O)cc1 ZINC001635843505 1194575128 /nfs/dbraw/zinc/57/51/28/1194575128.db2.gz VIEYGWWYPNDLIN-UHFFFAOYSA-N 0 0 315.369 3.063 20 10 DGCDRN COc1cccc(O)c1C(=O)NCc1c(O)ccc2ccccc21 ZINC001635969422 1194583304 /nfs/dbraw/zinc/58/33/04/1194583304.db2.gz QAHDMCISDXSIIN-UHFFFAOYSA-N 0 0 323.348 3.190 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2nccc3occc32)c1 ZINC001636066693 1194591376 /nfs/dbraw/zinc/59/13/76/1194591376.db2.gz RRZNKYLGZAGHDJ-SNVBAGLBSA-N 0 0 312.325 3.033 20 10 DGCDRN CC(C)(C)Oc1ccc(C(=O)NCc2cc(O)ccc2O)cc1 ZINC001637126200 1194651708 /nfs/dbraw/zinc/65/17/08/1194651708.db2.gz OEFZAXZHVPGDJM-UHFFFAOYSA-N 0 0 315.369 3.205 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1)N1Cc2cccc(O)c2C1 ZINC001637616754 1194678426 /nfs/dbraw/zinc/67/84/26/1194678426.db2.gz VUVIPRYFNBJPIV-UHFFFAOYSA-N 0 0 319.364 3.166 20 10 DGCDRN C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)C1(C)CC1 ZINC001638814097 1194739150 /nfs/dbraw/zinc/73/91/50/1194739150.db2.gz JOHXIPVKEAAOFI-GFCCVEGCSA-N 0 0 302.418 3.259 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1ccc2ccccc2c1O ZINC001638864117 1194741234 /nfs/dbraw/zinc/74/12/34/1194741234.db2.gz WACQFVQVFIRLJS-UHFFFAOYSA-N 0 0 311.312 3.320 20 10 DGCDRN O=C(CCCc1ccc(F)c(F)c1)NCc1c(O)cccc1F ZINC001638864390 1194741377 /nfs/dbraw/zinc/74/13/77/1194741377.db2.gz ZDOFQLWZPPRUKJ-UHFFFAOYSA-N 0 0 323.314 3.449 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1cc(C2CC2)[nH]c1C1CC1 ZINC001639292580 1194759196 /nfs/dbraw/zinc/75/91/96/1194759196.db2.gz IUMVQQFKKFJIIK-UHFFFAOYSA-N 0 0 312.369 3.111 20 10 DGCDRN CCOc1nc(NCc2ccc(N(C)C)c(F)c2)ncc1Cl ZINC001639364466 1194761855 /nfs/dbraw/zinc/76/18/55/1194761855.db2.gz ZUPGTBARJSJFLA-UHFFFAOYSA-N 0 0 324.787 3.346 20 10 DGCDRN C[C@H]1C[C@H](C(=O)NCc2c(O)ccc3ccccc32)CCC1=O ZINC001639384442 1194762510 /nfs/dbraw/zinc/76/25/10/1194762510.db2.gz KMANOLLMULSCHE-GXTWGEPZSA-N 0 0 311.381 3.167 20 10 DGCDRN O=C(Nc1nc2ccc(Cl)nc2s1)C1=CC(=O)CS1 ZINC001639818078 1194783082 /nfs/dbraw/zinc/78/30/82/1194783082.db2.gz ZXNNSISTMULJNZ-UHFFFAOYSA-N 0 0 311.775 3.364 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1c(F)cc(F)cc1F ZINC001639965267 1194789215 /nfs/dbraw/zinc/78/92/15/1194789215.db2.gz INOONCOTWPROHG-UHFFFAOYSA-N 0 0 315.678 3.393 20 10 DGCDRN Cc1ccc2oc(C(=O)NCc3cc(Cl)ccc3O)cc2n1 ZINC001639965096 1194789539 /nfs/dbraw/zinc/78/95/39/1194789539.db2.gz CIFUWSVAUWAGRA-UHFFFAOYSA-N 0 0 316.744 3.425 20 10 DGCDRN Cc1ccc(O)c(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)c1 ZINC001640178811 1194800425 /nfs/dbraw/zinc/80/04/25/1194800425.db2.gz XPWCPUMBYHQPSP-UHFFFAOYSA-N 0 0 313.357 3.495 20 10 DGCDRN C[C@@H](Oc1cccc(F)c1)C(=O)NCc1cccc(Cl)c1O ZINC001640402355 1194811099 /nfs/dbraw/zinc/81/10/99/1194811099.db2.gz RCFBHEDLSNIANW-SNVBAGLBSA-N 0 0 323.751 3.268 20 10 DGCDRN Cc1ccc2[nH]cc(CCNC(=O)c3ccc(C)c(O)c3O)c2c1 ZINC001640491976 1194816487 /nfs/dbraw/zinc/81/64/87/1194816487.db2.gz HTTWJQDSXZQGQU-UHFFFAOYSA-N 0 0 324.380 3.168 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2[nH]nc3ccc(Cl)cc32)c1 ZINC001640797153 1194828072 /nfs/dbraw/zinc/82/80/72/1194828072.db2.gz ZFUOISBLOOFYFZ-UHFFFAOYSA-N 0 0 315.760 3.160 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccccc2-c2cn[nH]c2)c1 ZINC001640797182 1194828140 /nfs/dbraw/zinc/82/81/40/1194828140.db2.gz ZZCQGXDBZKSFJM-UHFFFAOYSA-N 0 0 307.353 3.021 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CCc2cnc3ccccc3c2)c1 ZINC001641733475 1194868696 /nfs/dbraw/zinc/86/86/96/1194868696.db2.gz XRFTTZPTEAEAGJ-UHFFFAOYSA-N 0 0 320.392 3.498 20 10 DGCDRN CCOc1ccc(N(CC)C[C@H]2CC(C(=O)OC)=C(C)O2)cc1 ZINC001642199750 1194893468 /nfs/dbraw/zinc/89/34/68/1194893468.db2.gz NAOOOUKPXYQVEA-MRXNPFEDSA-N 0 0 319.401 3.148 20 10 DGCDRN Cc1c[nH]nc1C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001642459659 1194911898 /nfs/dbraw/zinc/91/18/98/1194911898.db2.gz SFBFMTGDSSITDS-UHFFFAOYSA-N 0 0 308.385 3.056 20 10 DGCDRN C[C@H](NC(=O)c1ccc(-c2cn[nH]c2)cc1)c1ccccc1O ZINC001642830988 1194944304 /nfs/dbraw/zinc/94/43/04/1194944304.db2.gz NAYXNUYNBNHAPJ-LBPRGKRZSA-N 0 0 307.353 3.273 20 10 DGCDRN C[C@H](NC(=O)[C@H](C)Oc1ccc(F)c(F)c1)c1ccccc1O ZINC001642830991 1194944358 /nfs/dbraw/zinc/94/43/58/1194944358.db2.gz NNETYRORSJLSNZ-QWRGUYRKSA-N 0 0 321.323 3.315 20 10 DGCDRN COc1ccc(SCC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC001642827765 1194944555 /nfs/dbraw/zinc/94/45/55/1194944555.db2.gz QOXCZWOTOVBHJT-LBPRGKRZSA-N 0 0 317.410 3.370 20 10 DGCDRN CS(=O)(=O)c1cccc(Sc2ncc(Cl)s2)c1 ZINC001643102831 1194988859 /nfs/dbraw/zinc/98/88/59/1194988859.db2.gz YOJRQOLAPFKWSM-UHFFFAOYSA-N 0 0 305.833 3.351 20 10 DGCDRN COC(=O)c1cnc(SCc2ccncc2Cl)s1 ZINC001643952937 1195066504 /nfs/dbraw/zinc/06/65/04/1195066504.db2.gz VDNDPEWGYVKPTR-UHFFFAOYSA-N 0 0 300.792 3.270 20 10 DGCDRN COc1ccc(C(=O)N2Cc3cccc(O)c3C2)c(Cl)c1 ZINC001643169485 1195000311 /nfs/dbraw/zinc/00/03/11/1195000311.db2.gz RPKZTKGVTYTDOS-UHFFFAOYSA-N 0 0 303.745 3.210 20 10 DGCDRN COCc1c2ccccc2oc1C(=O)N1Cc2cccc(O)c2C1 ZINC001643169029 1195000519 /nfs/dbraw/zinc/00/05/19/1195000519.db2.gz MUBJTMOBDUJZRL-UHFFFAOYSA-N 0 0 323.348 3.441 20 10 DGCDRN COc1cc(F)c(C(=O)N2Cc3cccc(O)c3C2)c(Cl)c1 ZINC001643173734 1195000745 /nfs/dbraw/zinc/00/07/45/1195000745.db2.gz RONZSHAMGZILPR-UHFFFAOYSA-N 0 0 321.735 3.349 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)c1ccoc1C1CC1 ZINC001643283387 1195010838 /nfs/dbraw/zinc/01/08/38/1195010838.db2.gz SVCAOXVOQMWBSA-UHFFFAOYSA-N 0 0 308.337 3.341 20 10 DGCDRN Cc1cc(CNC(=O)c2c[nH]nc2C)c(C)n1-c1cccc(C)c1 ZINC001643366695 1195018519 /nfs/dbraw/zinc/01/85/19/1195018519.db2.gz RXJAFJILJXLQTF-UHFFFAOYSA-N 0 0 322.412 3.364 20 10 DGCDRN C[C@@H](Cn1ccc2ccccc21)C(=O)NCc1cc(O)ccc1O ZINC001643882315 1195060371 /nfs/dbraw/zinc/06/03/71/1195060371.db2.gz SSWQGBVIVKMYEH-ZDUSSCGKSA-N 0 0 324.380 3.005 20 10 DGCDRN C[C@H](Sc1ncc(Cl)s1)C(=O)Nc1nccs1 ZINC001644122378 1195083470 /nfs/dbraw/zinc/08/34/70/1195083470.db2.gz BYQOIGDUKQAXJF-YFKPBYRVSA-N 0 0 305.837 3.372 20 10 DGCDRN CC(=O)c1ccc(C(=O)NCc2cc(Cl)ccc2O)s1 ZINC001644590876 1195118822 /nfs/dbraw/zinc/11/88/22/1195118822.db2.gz SGVZBYZZWLTEMT-UHFFFAOYSA-N 0 0 309.774 3.240 20 10 DGCDRN CC(C)(C)c1ccc(C(=O)NCc2cc(O)ccc2O)s1 ZINC001644753774 1195131741 /nfs/dbraw/zinc/13/17/41/1195131741.db2.gz JJXJTWKZLPLBMO-UHFFFAOYSA-N 0 0 305.399 3.387 20 10 DGCDRN O=C(Cc1ccc2ccccc2c1)NCc1cc(O)ccc1O ZINC001644752867 1195132268 /nfs/dbraw/zinc/13/22/68/1195132268.db2.gz YOVHLXVOGVSKIK-UHFFFAOYSA-N 0 0 307.349 3.110 20 10 DGCDRN Cc1cc(C)c(/C=C/C(=O)NCc2c(O)cccc2O)cc1C ZINC001645363132 1195178412 /nfs/dbraw/zinc/17/84/12/1195178412.db2.gz NLANJUSANIDQSU-BQYQJAHWSA-N 0 0 311.381 3.353 20 10 DGCDRN Cc1cc(C(=O)NCc2c(O)ccc3ccccc32)c(C)n1C ZINC001645440450 1195183223 /nfs/dbraw/zinc/18/32/23/1195183223.db2.gz DORNMAFQRNVUBR-UHFFFAOYSA-N 0 0 308.381 3.431 20 10 DGCDRN CCNc1cccnc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001645442826 1195184189 /nfs/dbraw/zinc/18/41/89/1195184189.db2.gz AKVFNAFWYDEJRF-UHFFFAOYSA-N 0 0 321.380 3.302 20 10 DGCDRN CSC1CCC(CNC(=O)c2ccc(C)c(O)c2O)CC1 ZINC001645512590 1195190860 /nfs/dbraw/zinc/19/08/60/1195190860.db2.gz NXWMGIGAGANJCX-UHFFFAOYSA-N 0 0 309.431 3.058 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccc(-n3cccc3)cc2)c1 ZINC001645801010 1195201674 /nfs/dbraw/zinc/20/16/74/1195201674.db2.gz ZJRVTTRIUVQSQS-UHFFFAOYSA-N 0 0 306.365 3.421 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cc(-c2ccccc2)on1 ZINC001646028355 1195211765 /nfs/dbraw/zinc/21/17/65/1195211765.db2.gz GPHKNPUZLZGMFS-UHFFFAOYSA-N 0 0 312.300 3.116 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCCC[C@H]1CC1CCC1 ZINC001646257422 1195219439 /nfs/dbraw/zinc/21/94/39/1195219439.db2.gz GNQAZMCBLUTSBP-HNNXBMFYSA-N 0 0 303.402 3.212 20 10 DGCDRN Cc1ccc(C(=O)NCc2c(O)ccc3ccccc32)c(O)c1O ZINC001647791983 1195253038 /nfs/dbraw/zinc/25/30/38/1195253038.db2.gz YKQFSAGMQUFZHG-UHFFFAOYSA-N 0 0 323.348 3.195 20 10 DGCDRN C[C@@H](C(=O)NCc1cccc(Cl)c1O)c1cccc(O)c1 ZINC001647830421 1195256772 /nfs/dbraw/zinc/25/67/72/1195256772.db2.gz VXHYHFZUWJBJQA-SNVBAGLBSA-N 0 0 305.761 3.171 20 10 DGCDRN C[C@@H]1CCCN1CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC001650630678 1195367692 /nfs/dbraw/zinc/36/76/92/1195367692.db2.gz WOEOKOJFYJRUTK-SNVBAGLBSA-N 0 0 303.233 3.273 20 10 DGCDRN COc1cc(OC)c(NCc2cc(F)cc(F)c2O)cc1F ZINC001650707727 1195374475 /nfs/dbraw/zinc/37/44/75/1195374475.db2.gz MCDITDRMULEHSG-UHFFFAOYSA-N 0 0 313.275 3.439 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1ccc(SC2CC2)cc1 ZINC001651176006 1195422954 /nfs/dbraw/zinc/42/29/54/1195422954.db2.gz WJQXTWLPWZDEDJ-UHFFFAOYSA-N 0 0 315.394 3.282 20 10 DGCDRN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NCc1cc[nH]n1 ZINC001651379547 1195452764 /nfs/dbraw/zinc/45/27/64/1195452764.db2.gz NPWUIUFJWGWZSR-UHFFFAOYSA-N 0 0 322.324 3.161 20 10 DGCDRN Cc1nc2c(cccc2CC[NH2+]Cc2cc(F)cc(F)c2[O-])o1 ZINC001651523672 1195475434 /nfs/dbraw/zinc/47/54/34/1195475434.db2.gz NMDQGSXAXBOARY-UHFFFAOYSA-N 0 0 318.323 3.452 20 10 DGCDRN CC[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])C(=O)OC(C)(C)C ZINC001651591834 1195484525 /nfs/dbraw/zinc/48/45/25/1195484525.db2.gz GEECAVKDJMODBG-JTQLQIEISA-N 0 0 315.360 3.128 20 10 DGCDRN Nc1nc(Br)ccc1CSc1nccs1 ZINC001651774916 1195507371 /nfs/dbraw/zinc/50/73/71/1195507371.db2.gz QKPSIASBWSOKLU-UHFFFAOYSA-N 0 0 302.222 3.175 20 10 DGCDRN COc1cc(C[N@H+](C)Cc2cc(F)cc(F)c2[O-])cc(OC)c1 ZINC001651810345 1195512393 /nfs/dbraw/zinc/51/23/93/1195512393.db2.gz AGWSMMFDFBVWEA-UHFFFAOYSA-N 0 0 323.339 3.320 20 10 DGCDRN C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2O)C[C@H](C)S1 ZINC001651827547 1195514148 /nfs/dbraw/zinc/51/41/48/1195514148.db2.gz DWTRZQXVJITXAI-AOOOYVTPSA-N 0 0 316.264 3.481 20 10 DGCDRN CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(F)c(F)cc2[O-])C12CCC2 ZINC001651894754 1195521343 /nfs/dbraw/zinc/52/13/43/1195521343.db2.gz UGUAOANDSAFFPA-JKSUJKDBSA-N 0 0 311.372 3.450 20 10 DGCDRN COc1ccc2c(c1)CCN2Cc1cc2ccccc2n(C)c1=O ZINC001651997600 1195534555 /nfs/dbraw/zinc/53/45/55/1195534555.db2.gz RQPVSIGVZWNIBB-UHFFFAOYSA-N 0 0 320.392 3.110 20 10 DGCDRN Oc1cc(Cl)ccc1CNc1c[nH]nc1-c1ccccn1 ZINC001652077466 1195544822 /nfs/dbraw/zinc/54/48/22/1195544822.db2.gz PLBCQWREYDHAMV-UHFFFAOYSA-N 0 0 300.749 3.443 20 10 DGCDRN C[C@H](CSC(F)(F)F)C(=O)NCc1c(O)cccc1F ZINC001652298992 1195577825 /nfs/dbraw/zinc/57/78/25/1195577825.db2.gz XPJAERGZTSIXNB-SSDOTTSWSA-N 0 0 311.300 3.037 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CC[C@H]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC001652330368 1195583022 /nfs/dbraw/zinc/58/30/22/1195583022.db2.gz RRLPRQODIZGZKL-LYASGUKUSA-N 0 0 318.373 3.406 20 10 DGCDRN CC[C@@H](Cc1cccc(C)c1)C(=O)NCc1c(O)cccc1O ZINC001652625521 1195627674 /nfs/dbraw/zinc/62/76/74/1195627674.db2.gz HBAFQPRUQFITLM-HNNXBMFYSA-N 0 0 313.397 3.291 20 10 DGCDRN Cc1cc(C(=O)NCc2c(O)ccc3ccccc32)ccc1O ZINC001652708903 1195638658 /nfs/dbraw/zinc/63/86/58/1195638658.db2.gz PAHQKYPTGUNONR-UHFFFAOYSA-N 0 0 307.349 3.489 20 10 DGCDRN OC[C@H]1Cc2ccccc2N1Cc1cc(Cl)c(F)cc1O ZINC001652737200 1195643502 /nfs/dbraw/zinc/64/35/02/1195643502.db2.gz QBYWYDOVGATLCK-GFCCVEGCSA-N 0 0 307.752 3.108 20 10 DGCDRN C[C@H](NCc1cccc(Cl)c1[O-])C(=O)OCc1ccccc1 ZINC001652741864 1195644083 /nfs/dbraw/zinc/64/40/83/1195644083.db2.gz ACGOASBXDMKTBC-LBPRGKRZSA-N 0 0 319.788 3.267 20 10 DGCDRN C[C@H]1Cc2cc(NC(=O)/C=C\c3ccc(O)c(O)c3)ccc2O1 ZINC001652972584 1195676251 /nfs/dbraw/zinc/67/62/51/1195676251.db2.gz JITQIVHHXJNASV-UFVHFEBBSA-N 0 0 311.337 3.073 20 10 DGCDRN C[C@@H]1Cc2cc(NC(=O)/C=C/c3ccc(O)c(O)c3)ccc2O1 ZINC001652972581 1195676760 /nfs/dbraw/zinc/67/67/60/1195676760.db2.gz JITQIVHHXJNASV-CGAJTASUSA-N 0 0 311.337 3.073 20 10 DGCDRN Clc1cnc(SCCc2nnnn2-c2ccccc2)s1 ZINC001652984343 1195677561 /nfs/dbraw/zinc/67/75/61/1195677561.db2.gz BXLMERSBYROCJK-UHFFFAOYSA-N 0 0 323.834 3.107 20 10 DGCDRN COC(=O)c1cc(C)cc(NCc2cc(OC)ccc2O)c1 ZINC001653177877 1195695489 /nfs/dbraw/zinc/69/54/89/1195695489.db2.gz JZTYUTALHKCXRT-UHFFFAOYSA-N 0 0 301.342 3.108 20 10 DGCDRN CCc1c[nH]c2ncnc(NCc3ccc(N4CC=CC4)cc3)c12 ZINC001655173843 1195885445 /nfs/dbraw/zinc/88/54/45/1195885445.db2.gz PENLPZUUXBGWRB-UHFFFAOYSA-N 0 0 319.412 3.460 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CCC(OC(C)C)CC2)cc1OC ZINC001655195312 1195889295 /nfs/dbraw/zinc/88/92/95/1195889295.db2.gz FYPKVJLELUZEOO-UHFFFAOYSA-N 0 0 324.377 3.006 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC001655243745 1195895321 /nfs/dbraw/zinc/89/53/21/1195895321.db2.gz KBDAKNHLCCDYOJ-UHFFFAOYSA-N 0 0 315.323 3.146 20 10 DGCDRN O=c1cc[nH]c2cc(NCc3c(O)cccc3Cl)ccc12 ZINC001656221625 1196019759 /nfs/dbraw/zinc/01/97/59/1196019759.db2.gz VUUAJORSUMJBBH-UHFFFAOYSA-N 0 0 300.745 3.499 20 10 DGCDRN CCc1nc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cs1 ZINC001656520011 1196046686 /nfs/dbraw/zinc/04/66/86/1196046686.db2.gz GDIFMEIGYSBZDP-VIFPVBQESA-N 0 0 307.375 3.170 20 10 DGCDRN CN(C)c1ccc(/C=C\CNc2ccc3oc(=O)n(C)c3c2)cc1 ZINC001656784903 1196071023 /nfs/dbraw/zinc/07/10/23/1196071023.db2.gz DENYAISMANPLDO-PLNGDYQASA-N 0 0 323.396 3.323 20 10 DGCDRN O=C1Cc2ccc(NCc3c(O)ccc(Cl)c3F)cc2N1 ZINC001656948889 1196086477 /nfs/dbraw/zinc/08/64/77/1196086477.db2.gz FQEWZFFTKDIVGO-UHFFFAOYSA-N 0 0 306.724 3.291 20 10 DGCDRN OCCOc1ccc(NCc2cc(Cl)cc(F)c2O)cc1 ZINC001657422575 1196139971 /nfs/dbraw/zinc/13/99/71/1196139971.db2.gz SQYJHAOJSBRXGA-UHFFFAOYSA-N 0 0 311.740 3.168 20 10 DGCDRN CN(C)c1ccc(/C=C\CNc2ccc3c(c2)oc(=O)n3C)cc1 ZINC001657485378 1196148064 /nfs/dbraw/zinc/14/80/64/1196148064.db2.gz WAXYMEIWYZOBRB-PLNGDYQASA-N 0 0 323.396 3.323 20 10 DGCDRN O=C1Cc2ccc(NCc3cc(Cl)cc(F)c3O)cc2N1 ZINC001657980606 1196198225 /nfs/dbraw/zinc/19/82/25/1196198225.db2.gz KUOBBSWBSFAJST-UHFFFAOYSA-N 0 0 306.724 3.291 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC001658572557 1196274341 /nfs/dbraw/zinc/27/43/41/1196274341.db2.gz YXAGDIHVGCDMIZ-QGZVFWFLSA-N 0 0 311.372 3.452 20 10 DGCDRN COc1ccc2c(c1)CCN2Cc1sc(N(C)C)nc1Cl ZINC001658573448 1196275893 /nfs/dbraw/zinc/27/58/93/1196275893.db2.gz IQBKLCRLHZPGJQ-UHFFFAOYSA-N 0 0 323.849 3.434 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC001658592304 1196277299 /nfs/dbraw/zinc/27/72/99/1196277299.db2.gz ZVGAOUPXGSUJEG-CXAGYDPISA-N 0 0 312.404 3.306 20 10 DGCDRN OC[C@H](NCc1ccc2c(c1)CCCO2)c1cc(F)ccc1F ZINC001658761604 1196297261 /nfs/dbraw/zinc/29/72/61/1196297261.db2.gz WELOTGYWRXJNCL-KRWDZBQOSA-N 0 0 319.351 3.113 20 10 DGCDRN COC(=O)Cc1cccc(NCc2cc(C(C)C)ccc2O)n1 ZINC001659447368 1196383424 /nfs/dbraw/zinc/38/34/24/1196383424.db2.gz WLRNICBANNUAIC-UHFFFAOYSA-N 0 0 314.385 3.238 20 10 DGCDRN C[C@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccc(Cl)cc1O ZINC001659756722 1196411737 /nfs/dbraw/zinc/41/17/37/1196411737.db2.gz ZIIIYNULHKZYFI-QPUJVOFHSA-N 0 0 309.715 3.197 20 10 DGCDRN CCOC(=O)C1CCC([NH2+]Cc2ccc(Cl)cc2[O-])CC1 ZINC001660500546 1196492031 /nfs/dbraw/zinc/49/20/31/1196492031.db2.gz MUGAEZCBSDECFO-UHFFFAOYSA-N 0 0 311.809 3.257 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC001660652892 1196509241 /nfs/dbraw/zinc/50/92/41/1196509241.db2.gz HHWGKEMLDGZFGG-XFHMXUHZSA-N 0 0 321.779 3.325 20 10 DGCDRN COc1cc(C[NH2+]Cc2c([O-])cccc2F)c(Cl)cc1O ZINC001660742906 1196518309 /nfs/dbraw/zinc/51/83/09/1196518309.db2.gz VDMZKPXCQWIFIU-UHFFFAOYSA-N 0 0 311.740 3.189 20 10 DGCDRN COc1ccc(O)c(CNc2cnc(C)c(Br)c2)c1 ZINC001660932846 1196543968 /nfs/dbraw/zinc/54/39/68/1196543968.db2.gz CYICVVUHBKYVJR-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN CCn1cnc(Cl)c1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC001663442144 1196868737 /nfs/dbraw/zinc/86/87/37/1196868737.db2.gz KROKIZZEUWLNIL-UHFFFAOYSA-N 0 0 300.189 3.205 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC001663441815 1196869039 /nfs/dbraw/zinc/86/90/39/1196869039.db2.gz FQJZQFJBGVTWJR-UHFFFAOYSA-N 0 0 314.776 3.121 20 10 DGCDRN COc1cc(N(C)Cc2cc(C)nc(C)c2)cc(OC)c1OC ZINC001664238296 1196982310 /nfs/dbraw/zinc/98/23/10/1196982310.db2.gz KGNZRBXFRPSMSG-UHFFFAOYSA-N 0 0 316.401 3.361 20 10 DGCDRN Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)c(C)c(C)n3C)o1 ZINC001664507656 1197008282 /nfs/dbraw/zinc/00/82/82/1197008282.db2.gz VVLFFXAZYNPETL-UHFFFAOYSA-N 0 0 319.382 3.464 20 10 DGCDRN CCc1nnc(CN(C)Cc2ccc(N3CCCC3)cc2)s1 ZINC001664626725 1197023492 /nfs/dbraw/zinc/02/34/92/1197023492.db2.gz GORDVVDGZRSBPS-UHFFFAOYSA-N 0 0 316.474 3.333 20 10 DGCDRN Cn1ccnc1[C@H]1N(Cc2ccc(Cl)cc2O)CC1(C)C ZINC001664780472 1197056065 /nfs/dbraw/zinc/05/60/65/1197056065.db2.gz DWQCRSFJNLNWFR-CQSZACIVSA-N 0 0 305.809 3.362 20 10 DGCDRN C[C@H]1CN(Cc2ccc(Cl)cc2O)c2ccccc2C(=O)N1 ZINC001664905968 1197078768 /nfs/dbraw/zinc/07/87/68/1197078768.db2.gz KLAOBWZQEHGQKM-NSHDSACASA-N 0 0 316.788 3.184 20 10 DGCDRN OC[C@H]1Cc2ccccc2N1Cc1cc(Cl)cc(F)c1O ZINC001665101381 1197097943 /nfs/dbraw/zinc/09/79/43/1197097943.db2.gz CTXSKZYVMZVNDG-CYBMUJFWSA-N 0 0 307.752 3.108 20 10 DGCDRN CN(C)[C@@H](CC[NH2+]Cc1ccc(Cl)cc1[O-])C(F)(F)F ZINC001665623740 1197160113 /nfs/dbraw/zinc/16/01/13/1197160113.db2.gz NLGDKHAZGUOXLT-LBPRGKRZSA-N 0 0 310.747 3.018 20 10 DGCDRN CN(C)[C@H](CC[NH2+]Cc1ccc(Cl)cc1[O-])C(F)(F)F ZINC001665623739 1197160391 /nfs/dbraw/zinc/16/03/91/1197160391.db2.gz NLGDKHAZGUOXLT-GFCCVEGCSA-N 0 0 310.747 3.018 20 10 DGCDRN COC(=O)c1cccc(NC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001667251080 1197332691 /nfs/dbraw/zinc/33/26/91/1197332691.db2.gz QEFHAZSSGZFQGK-NSHDSACASA-N 0 0 314.341 3.062 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)cc1F ZINC001667685668 1197379388 /nfs/dbraw/zinc/37/93/88/1197379388.db2.gz BEOMAOILZSJMDL-OFQRWUPVSA-N 0 0 319.424 3.270 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)Nc1ccnc(Cl)c1 ZINC001668106906 1197400184 /nfs/dbraw/zinc/40/01/84/1197400184.db2.gz GBGVCQHNYLQTSC-UHFFFAOYSA-N 0 0 312.156 3.416 20 10 DGCDRN COc1cc(NC(=O)NCc2cc(C)ccc2O)ccc1F ZINC001668842511 1197432429 /nfs/dbraw/zinc/43/24/29/1197432429.db2.gz NUUOZTBKBOGKHB-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc(F)c(F)c2F)c1 ZINC001672412739 1197610216 /nfs/dbraw/zinc/61/02/16/1197610216.db2.gz VFZHTBGIMJELMA-UHFFFAOYSA-N 0 0 310.275 3.440 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)Nc1ccns1 ZINC001672428288 1197611566 /nfs/dbraw/zinc/61/15/66/1197611566.db2.gz YINWADSWRLCYIW-UHFFFAOYSA-N 0 0 316.430 3.407 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CC[C@H](C)C1 ZINC001673745654 1197689304 /nfs/dbraw/zinc/68/93/04/1197689304.db2.gz VPBGJFBUOPFBBV-QRTARXTBSA-N 0 0 317.477 3.480 20 10 DGCDRN C[C@@H](NC(=O)Nc1ccc(N(C)C)c(F)c1)c1ccccc1O ZINC001674409213 1197769392 /nfs/dbraw/zinc/76/93/92/1197769392.db2.gz BTWPROWMNHOMFP-LLVKDONJSA-N 0 0 317.364 3.480 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NCC(F)(F)CC)cc1 ZINC001677039575 1198468983 /nfs/dbraw/zinc/46/89/83/1198468983.db2.gz QSAFBBOFBYYCBS-UHFFFAOYSA-N 0 0 313.392 3.377 20 10 DGCDRN O=C(NCc1c(O)cccc1F)N[C@H]1CCc2cc(F)ccc21 ZINC001677311641 1198514078 /nfs/dbraw/zinc/51/40/78/1198514078.db2.gz JUAVHDJMTBCURT-HNNXBMFYSA-N 0 0 318.323 3.157 20 10 DGCDRN CC[C@](C)(NC(=O)NCc1ccc2c(c1)CCCN2C)C1CC1 ZINC001677536031 1198548128 /nfs/dbraw/zinc/54/81/28/1198548128.db2.gz SYWORCDOPOOEDH-IBGZPJMESA-N 0 0 315.461 3.447 20 10 DGCDRN Cc1nc2c(cccc2NC(=O)NCc2cc(C)ccc2O)o1 ZINC001677570246 1198553814 /nfs/dbraw/zinc/55/38/14/1198553814.db2.gz PEWDGDBBHKSWRO-UHFFFAOYSA-N 0 0 311.341 3.472 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CC23CCC3)cc1F ZINC001678606631 1198709657 /nfs/dbraw/zinc/70/96/57/1198709657.db2.gz OIAYUVNLHCFLIJ-INIZCTEOSA-N 0 0 319.424 3.414 20 10 DGCDRN CC1(C)C[C@@]1(C)CNC(=O)NCCCSc1nccs1 ZINC001678876435 1198736019 /nfs/dbraw/zinc/73/60/19/1198736019.db2.gz PTHCTQUHSORDKQ-AWEZNQCLSA-N 0 0 313.492 3.361 20 10 DGCDRN CC1CC(NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001679842794 1198830173 /nfs/dbraw/zinc/83/01/73/1198830173.db2.gz JBFJYVCMBHPNKG-UHFFFAOYSA-N 0 0 301.434 3.227 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1cccc(-c2ccon2)c1 ZINC001680692988 1198908320 /nfs/dbraw/zinc/90/83/20/1198908320.db2.gz HWNISRJUWYQKKT-UHFFFAOYSA-N 0 0 309.325 3.369 20 10 DGCDRN CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)NCc1cc(C)ccc1O ZINC001680882769 1198921539 /nfs/dbraw/zinc/92/15/39/1198921539.db2.gz SIAGCMHQFXEBSP-JKSUJKDBSA-N 0 0 320.433 3.094 20 10 DGCDRN CC[C@@H]1CCCC[C@H]1CNC(=O)NCc1cccc(OC)c1O ZINC001681591788 1199040287 /nfs/dbraw/zinc/04/02/87/1199040287.db2.gz KNURERYNUPDXRR-KGLIPLIRSA-N 0 0 320.433 3.416 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)NCc1ccccc1F ZINC001681717813 1199070076 /nfs/dbraw/zinc/07/00/76/1199070076.db2.gz PNTXTWKEBAQJFL-UHFFFAOYSA-N 0 0 308.740 3.184 20 10 DGCDRN C[C@H](NC(=O)NC[C@]12C[C@H]1CCC2)c1ccc(N(C)C)cc1 ZINC001686173136 1199538353 /nfs/dbraw/zinc/53/83/53/1199538353.db2.gz CDUBUMLUESEMJU-JOQOYGCGSA-N 0 0 301.434 3.303 20 10 DGCDRN O=C(NCc1c(O)cccc1F)NCC(F)(F)c1ccccc1 ZINC001686688693 1199581498 /nfs/dbraw/zinc/58/14/98/1199581498.db2.gz HHPSKJQFDLEIQO-UHFFFAOYSA-N 0 0 324.302 3.123 20 10 DGCDRN O=C(NCc1c(O)cccc1F)NC[C@@H]1CC2CCC1CC2 ZINC001686863620 1199594734 /nfs/dbraw/zinc/59/47/34/1199594734.db2.gz RSQHKDAKYHIQCH-BPCQOVAHSA-N 0 0 306.381 3.157 20 10 DGCDRN Nc1ccc(Cc2nc(-c3ccc4ccccc4n3)no2)cc1 ZINC000320604981 1199848167 /nfs/dbraw/zinc/84/81/67/1199848167.db2.gz YQGONEOONKVFOX-UHFFFAOYSA-N 0 0 302.337 3.458 20 10 DGCDRN CCc1[nH]nc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1C ZINC000153734017 1202596710 /nfs/dbraw/zinc/59/67/10/1202596710.db2.gz KKGKEEFDROOZGN-UHFFFAOYSA-N 0 0 323.400 3.335 20 10 DGCDRN Cc1cc(NS(=O)(=O)c2ccc(F)c(F)c2)c(C)cc1O ZINC000235895320 1202604943 /nfs/dbraw/zinc/60/49/43/1202604943.db2.gz IPOMYNKYNFXMNW-UHFFFAOYSA-N 0 0 313.325 3.088 20 10 DGCDRN COc1ccc(C[NH2+][C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1C ZINC001594094376 958387562 /nfs/dbraw/zinc/38/75/62/958387562.db2.gz IZMAGBPSZVEUCA-IRXDYDNUSA-N 0 0 311.381 3.406 20 10 DGCDRN Cc1cc(C[N@@H+](CC(=O)[O-])CC2CC2)ccc1N1CCCCC1 ZINC001574326817 960864853 /nfs/dbraw/zinc/86/48/53/960864853.db2.gz YCKPYULMPQMTCB-UHFFFAOYSA-N 0 0 316.445 3.282 20 10 DGCDRN CC[C@@H]([NH2+]Cc1ccc(Cl)c(C(=O)[O-])n1)c1ccccc1O ZINC001595301400 980437672 /nfs/dbraw/zinc/43/76/72/980437672.db2.gz ZDXYOECDIMXGHY-CYBMUJFWSA-N 0 0 320.776 3.380 20 10 DGCDRN CCCN(Cc1cc(C(=O)[O-])c(C)o1)c1ccc(C[NH3+])cc1 ZINC001595885940 982911726 /nfs/dbraw/zinc/91/17/26/982911726.db2.gz NQEXVLDOWLDQBB-UHFFFAOYSA-N 0 0 302.374 3.162 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])[C@@H](C)[C@H]1C ZINC001594536405 986152265 /nfs/dbraw/zinc/15/22/65/986152265.db2.gz QGECZEJZVOMTBD-WOPDTQHZSA-N 0 0 318.392 3.492 20 10 DGCDRN CCOc1ccc(C[N@H+](C)C2(C(=O)[O-])CCCCC2)c(O)c1 ZINC001597100370 986704494 /nfs/dbraw/zinc/70/44/94/986704494.db2.gz ICQKQXSJOYLSRS-UHFFFAOYSA-N 0 0 307.390 3.010 20 10 DGCDRN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001589616120 987474882 /nfs/dbraw/zinc/47/48/82/987474882.db2.gz HAPAWRRZEWBLRP-LBPRGKRZSA-N 0 0 311.809 3.368 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(C(=O)[O-])c2n1CCCC2)c1ccccc1O ZINC001599841596 988846637 /nfs/dbraw/zinc/84/66/37/988846637.db2.gz UWUQMCVKYGGERW-GFCCVEGCSA-N 0 0 314.385 3.079 20 10 DGCDRN CC(C)C[N@H+](CCC(=O)[O-])Cc1ccc2ccccc2c1O ZINC001591332552 992312962 /nfs/dbraw/zinc/31/29/62/992312962.db2.gz JMVIACDMWBFUAS-UHFFFAOYSA-N 0 0 301.386 3.478 20 10 DGCDRN CC(C)n1cc([C@@H](C)[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)cn1 ZINC001593197407 994162372 /nfs/dbraw/zinc/16/23/72/994162372.db2.gz JVPVOMOMWSTOBB-VXGBXAGGSA-N 0 0 317.389 3.280 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ncc(C(=O)[O-])s1 ZINC001593198720 994174497 /nfs/dbraw/zinc/17/44/97/994174497.db2.gz UVHRBLDPVJEQPU-JGVFFNPUSA-N 0 0 310.350 3.098 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CCCC12CCOCC2)c1cc(C(=O)[O-])ccc1O ZINC001593225809 994350292 /nfs/dbraw/zinc/35/02/92/994350292.db2.gz YJQAKCYUCLTLPA-WBMJQRKESA-N 0 0 319.401 3.090 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1cc(C(=O)[O-])ccc1O ZINC001593234436 994402036 /nfs/dbraw/zinc/40/20/36/994402036.db2.gz ZZOUCERNYWKKEK-QLJPJBMISA-N 0 0 312.369 3.011 20 10 DGCDRN C[C@H]([NH2+]CC(C)(C)c1ccccn1)c1cc(C(=O)[O-])ccc1O ZINC001593239605 994423432 /nfs/dbraw/zinc/42/34/32/994423432.db2.gz GRAPMOMELXVXAM-LBPRGKRZSA-N 0 0 314.385 3.114 20 10 DGCDRN C[C@H]([NH2+]C[C@@](C)(O)C1CCCCC1)c1cc(C(=O)[O-])ccc1O ZINC001593240705 994430929 /nfs/dbraw/zinc/43/09/29/994430929.db2.gz ROKYGDGTACLLSJ-KPZWWZAWSA-N 0 0 321.417 3.072 20 10 DGCDRN COc1ccc(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)cc1F ZINC001599571301 998369067 /nfs/dbraw/zinc/36/90/67/998369067.db2.gz OIWRUCQKBYMGKW-SNVBAGLBSA-N 0 0 319.332 3.089 20 10 DGCDRN C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1[NH2+]CCCSc1nccs1 ZINC001594182710 998702667 /nfs/dbraw/zinc/70/26/67/998702667.db2.gz FYKXJXHNXIJDMD-IJLUTSLNSA-N 0 0 314.476 3.104 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001594434226 999612762 /nfs/dbraw/zinc/61/27/62/999612762.db2.gz HMJGOMTZLCZBBR-JLSDUUJJSA-N 0 0 316.445 3.122 20 10 DGCDRN [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC001236799483 1099792684 /nfs/dbraw/zinc/79/26/84/1099792684.db2.gz OYAHVAWWTKQHOV-AWEZNQCLSA-N 0 0 302.201 3.454 20 10 DGCDRN CNc1ccccc1NC[C@H]1CC(=O)Nc2cc(OC)ccc21 ZINC001169924541 1081681777 /nfs/dbraw/zinc/68/17/77/1081681777.db2.gz NFRNLOFLELPXMO-GFCCVEGCSA-N 0 0 311.385 3.275 20 10 DGCDRN Oc1ccc(CNc2ncc(Cl)c(C(F)(F)F)n2)cc1O ZINC001169993145 1081798680 /nfs/dbraw/zinc/79/86/80/1081798680.db2.gz GUMYROOHPJXYPW-UHFFFAOYSA-N 0 0 319.670 3.172 20 10 DGCDRN Oc1ccc(CNc2nnc(Cl)c3cccc(F)c32)cc1O ZINC001169993448 1081801278 /nfs/dbraw/zinc/80/12/78/1081801278.db2.gz PIKLGIZHGURMNJ-UHFFFAOYSA-N 0 0 319.723 3.446 20 10 DGCDRN CSc1nc(NCc2ccc(O)c(O)c2)cc(C(F)F)n1 ZINC001169993339 1081805960 /nfs/dbraw/zinc/80/59/60/1081805960.db2.gz UKFBIZINJCTGHO-UHFFFAOYSA-N 0 0 313.329 3.159 20 10 DGCDRN Oc1ccc(CNc2ccc3ccc(Cl)nc3n2)cc1O ZINC001169994071 1081811139 /nfs/dbraw/zinc/81/11/39/1081811139.db2.gz YJEZFCOYVRWYKJ-UHFFFAOYSA-N 0 0 301.733 3.307 20 10 DGCDRN Cc1ccc(C(=O)NC[C@@H]2C[C@@H]2Cc2ccccc2)c(O)c1O ZINC001648797932 1081817917 /nfs/dbraw/zinc/81/79/17/1081817917.db2.gz KWMUCMTUTDUORY-GJZGRUSLSA-N 0 0 311.381 3.015 20 10 DGCDRN Oc1ccc(CNc2cncc(OC(F)(F)F)c2)cc1O ZINC001169996739 1081819946 /nfs/dbraw/zinc/81/99/46/1081819946.db2.gz JCLHAMVEFNSECS-UHFFFAOYSA-N 0 0 300.236 3.004 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000691476188 1081867579 /nfs/dbraw/zinc/86/75/79/1081867579.db2.gz IKTZASICDGLRLA-YPMHNXCESA-N 0 0 302.201 3.356 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)c2ncc[nH]2)cc1 ZINC001648807211 1081910947 /nfs/dbraw/zinc/91/09/47/1081910947.db2.gz ZNMUWTALGOWXFU-AWEZNQCLSA-N 0 0 308.385 3.308 20 10 DGCDRN C[C@@H](NC(=O)c1ccnc(-n2cccc2)c1)c1ccccc1O ZINC001648891788 1081955646 /nfs/dbraw/zinc/95/56/46/1081955646.db2.gz HLCBZIUDVYVTGC-CYBMUJFWSA-N 0 0 307.353 3.069 20 10 DGCDRN O=C(Nc1cc(-c2cccs2)on1)c1cccc(O)c1O ZINC001648900387 1081956794 /nfs/dbraw/zinc/95/67/94/1081956794.db2.gz UJDKVLQNNUSJHH-UHFFFAOYSA-N 0 0 302.311 3.067 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc(Cl)cc1 ZINC000588403566 1082147525 /nfs/dbraw/zinc/14/75/25/1082147525.db2.gz QFFWLRIBDNKYBP-YWEYNIOJSA-N 0 0 303.745 3.081 20 10 DGCDRN C[C@@H](CCc1ccccc1)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403513 1082147637 /nfs/dbraw/zinc/14/76/37/1082147637.db2.gz MIZUXGAPHCZFJQ-HCYCVZQXSA-N 0 0 311.381 3.249 20 10 DGCDRN O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc2c(c1)C(=O)CCC2 ZINC000588405237 1082149891 /nfs/dbraw/zinc/14/98/91/1082149891.db2.gz VJHVVKHDHZZWDS-UITAMQMPSA-N 0 0 323.348 3.269 20 10 DGCDRN CC[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC000588405343 1082150134 /nfs/dbraw/zinc/15/01/34/1082150134.db2.gz BKJMGGLCTQJNSB-ZHUYAKLQSA-N 0 0 311.381 3.421 20 10 DGCDRN C[C@H](c1ccccc1)[C@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588405169 1082150338 /nfs/dbraw/zinc/15/03/38/1082150338.db2.gz NTXSPAHZFBFRGY-HOMNVKPHSA-N 0 0 311.381 3.419 20 10 DGCDRN CCS[C@@H]1CC[C@@H](N(C)C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000588405665 1082151641 /nfs/dbraw/zinc/15/16/41/1082151641.db2.gz HLIWZMDKTPQLOF-RFGQWYDFSA-N 0 0 321.442 3.244 20 10 DGCDRN CN(CCCc1ccccc1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588406279 1082152322 /nfs/dbraw/zinc/15/23/22/1082152322.db2.gz DEMZUVPZDYKOHV-BENRWUELSA-N 0 0 311.381 3.202 20 10 DGCDRN C[C@H]1c2ccccc2CCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588406420 1082152735 /nfs/dbraw/zinc/15/27/35/1082152735.db2.gz RMEUDRBCPKCYCK-JWJUJFCLSA-N 0 0 309.365 3.257 20 10 DGCDRN Cc1nc([C@@H]2CCCCN2Cc2ccc(Cl)cc2O)no1 ZINC001140466450 1082286736 /nfs/dbraw/zinc/28/67/36/1082286736.db2.gz GDEZCILHNRFPRT-ZDUSSCGKSA-N 0 0 307.781 3.464 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(NCC2(O)CCOCC2)cc1 ZINC001167548487 1082497962 /nfs/dbraw/zinc/49/79/62/1082497962.db2.gz YXKJMIKMESOZGU-UHFFFAOYSA-N 0 0 300.402 3.048 20 10 DGCDRN O=C(/C=C\c1cccnc1)N1CCN(C2CC2)c2ccc(F)cc21 ZINC000588512593 1082521299 /nfs/dbraw/zinc/52/12/99/1082521299.db2.gz WYIUGLYCCDGEPD-BAQGIRSFSA-N 0 0 323.371 3.250 20 10 DGCDRN COc1cncc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n1 ZINC001130076586 1082523424 /nfs/dbraw/zinc/52/34/24/1082523424.db2.gz RYVQGMLFLRNIKD-UHFFFAOYSA-N 0 0 322.368 3.145 20 10 DGCDRN Cc1ncsc1/C=C\C(=O)N1C[C@H](C)Oc2cc(F)ccc21 ZINC000588519126 1082540308 /nfs/dbraw/zinc/54/03/08/1082540308.db2.gz NACPUFIZDGNMRQ-OMMCCPJFSA-N 0 0 318.373 3.418 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCCC2(C)C)cc1 ZINC001130744529 1082610606 /nfs/dbraw/zinc/61/06/06/1082610606.db2.gz CQQIZIVEWKBCBI-QGZVFWFLSA-N 0 0 318.461 3.416 20 10 DGCDRN CCn1nc(C)cc1NC(=O)c1ccc(C2=S=CC=C2)s1 ZINC001131736759 1082713120 /nfs/dbraw/zinc/71/31/20/1082713120.db2.gz CNEZRSXXZSMOMQ-UHFFFAOYSA-N 0 0 317.439 3.151 20 10 DGCDRN Cc1cc(CNC(=O)[C@H]2C[C@H]2F)c(C)n1-c1cccc(C)c1 ZINC001132043733 1082800503 /nfs/dbraw/zinc/80/05/03/1082800503.db2.gz LVUYQOZUPQEWNT-DLBZAZTESA-N 0 0 300.377 3.377 20 10 DGCDRN Oc1ccc(F)cc1CN1CCN(c2ccc(F)cc2F)CC1 ZINC000139744920 1082853484 /nfs/dbraw/zinc/85/34/84/1082853484.db2.gz CJOXTYDZWYLFLC-UHFFFAOYSA-N 0 0 322.330 3.132 20 10 DGCDRN CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1[O-] ZINC001181021694 1083385782 /nfs/dbraw/zinc/38/57/82/1083385782.db2.gz IGQDUPXIWGSLJF-HNNXBMFYSA-N 0 0 321.367 3.444 20 10 DGCDRN CCOC(=O)N1CCC(C)(CN(C)c2ccc(OC)cc2)CC1 ZINC001182734696 1083792844 /nfs/dbraw/zinc/79/28/44/1083792844.db2.gz ZWRINRHEDLRELC-UHFFFAOYSA-N 0 0 320.433 3.390 20 10 DGCDRN C[C@@H](NC(=O)c1c(F)ccc(O)c1O)c1ccc2c(c1)CCC2 ZINC001183113594 1083880116 /nfs/dbraw/zinc/88/01/16/1083880116.db2.gz XMCJRAAYKRQAFJ-SNVBAGLBSA-N 0 0 315.344 3.217 20 10 DGCDRN Cc1cc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c(O)cc1Br ZINC001250120527 1083992443 /nfs/dbraw/zinc/99/24/43/1083992443.db2.gz HDOHMAAWWATPCB-XHVZSJERSA-N 0 0 314.198 3.253 20 10 DGCDRN O=C(NCc1cc(Cl)c2cccnc2c1O)C1(C2CC2)CC1 ZINC001183803401 1084036607 /nfs/dbraw/zinc/03/66/07/1084036607.db2.gz AMRTYOSDRWCSCJ-UHFFFAOYSA-N 0 0 316.788 3.400 20 10 DGCDRN CC[S@@](C)(=O)=NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001626290170 1084063885 /nfs/dbraw/zinc/06/38/85/1084063885.db2.gz VQVHURFGRPLVIG-JOCHJYFZSA-N 0 0 318.442 3.281 20 10 DGCDRN CC[C@@](C)(O)CC(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001184259982 1084138348 /nfs/dbraw/zinc/13/83/48/1084138348.db2.gz BHRBJQIBVPHGOC-LJQANCHMSA-N 0 0 312.413 3.353 20 10 DGCDRN Cn1c2ccccc2nc1NC(=O)Nc1ccc(F)c(F)c1 ZINC001185056622 1084324251 /nfs/dbraw/zinc/32/42/51/1084324251.db2.gz CKYIGDBKHOTYOD-UHFFFAOYSA-N 0 0 302.284 3.496 20 10 DGCDRN CC(C)(CC1CCOCC1)C(=O)N1CCc2cccc(O)c2C1 ZINC001185317978 1084401109 /nfs/dbraw/zinc/40/11/09/1084401109.db2.gz CEIMHXUQHOSUGX-UHFFFAOYSA-N 0 0 317.429 3.120 20 10 DGCDRN COc1ccc2[nH]cc(/C=C/C(=O)NCc3ccccc3O)c2c1 ZINC001185755486 1084518662 /nfs/dbraw/zinc/51/86/62/1084518662.db2.gz OJOAOXFMCCDKIU-RMKNXTFCSA-N 0 0 322.364 3.212 20 10 DGCDRN Cc1cc(NS(=O)(=O)c2cccc(F)c2C)c(C)cc1O ZINC001185824879 1084540120 /nfs/dbraw/zinc/54/01/20/1084540120.db2.gz WROKOQQSZJFUCN-UHFFFAOYSA-N 0 0 309.362 3.257 20 10 DGCDRN CCCCN(Cc1ccccc1O)c1nc(C)cc(OC)n1 ZINC001186258579 1084627099 /nfs/dbraw/zinc/62/70/99/1084627099.db2.gz JCIUYTWRQSCKMH-UHFFFAOYSA-N 0 0 301.390 3.306 20 10 DGCDRN COc1cccc(CC(=O)NCc2c(C)cc(C)cc2O)c1C ZINC001186477413 1084652574 /nfs/dbraw/zinc/65/25/74/1084652574.db2.gz WDKJVTOSILMZTM-UHFFFAOYSA-N 0 0 313.397 3.185 20 10 DGCDRN O=C(NCc1ccccc1O)c1ccc(C(=O)C(F)(F)F)cc1 ZINC001186575943 1084668150 /nfs/dbraw/zinc/66/81/50/1084668150.db2.gz AMTMNDZLDRYTSF-UHFFFAOYSA-N 0 0 323.270 3.067 20 10 DGCDRN CC(C)Oc1cccc(F)c1N(CCO)c1ccc(N)cc1 ZINC001211777822 1084739512 /nfs/dbraw/zinc/73/95/12/1084739512.db2.gz HWMSQWPWMOOPQC-UHFFFAOYSA-N 0 0 304.365 3.326 20 10 DGCDRN CCOCc1ccc(C(=O)N2CCc3cccc(O)c3C2)cc1 ZINC001187097202 1084757958 /nfs/dbraw/zinc/75/79/58/1084757958.db2.gz GCVDYOQXOYWRJL-UHFFFAOYSA-N 0 0 311.381 3.127 20 10 DGCDRN Oc1cc(O)c(CCNc2cc(F)cc3cc[nH]c32)cc1O ZINC001168005316 1086147144 /nfs/dbraw/zinc/14/71/44/1086147144.db2.gz FIGMGRGNURFIHA-UHFFFAOYSA-N 0 0 302.305 3.078 20 10 DGCDRN Oc1cc(O)c(CCNc2cc(F)cc3cccnc32)cc1O ZINC001168005603 1086148182 /nfs/dbraw/zinc/14/81/82/1086148182.db2.gz KOLIVSQVHVWZCT-UHFFFAOYSA-N 0 0 314.316 3.145 20 10 DGCDRN CC(C)(C)c1ccc(NCCc2cc(O)c(O)cc2O)cn1 ZINC001168014009 1086261557 /nfs/dbraw/zinc/26/15/57/1086261557.db2.gz NJPCZOOFLFRBIU-UHFFFAOYSA-N 0 0 302.374 3.151 20 10 DGCDRN Oc1cc(O)c(CCNc2cncc3c(F)cccc23)cc1O ZINC001168013997 1086261569 /nfs/dbraw/zinc/26/15/69/1086261569.db2.gz NHPPXPKMEVARHC-UHFFFAOYSA-N 0 0 314.316 3.145 20 10 DGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)CC2(O)CCC2)cc1 ZINC001142619291 1087381720 /nfs/dbraw/zinc/38/17/20/1087381720.db2.gz LFRHXPQXHLJBFT-UHFFFAOYSA-N 0 0 310.397 3.107 20 10 DGCDRN C[C@@H](NC(=O)c1cc(C=O)sc1Cl)c1ccccc1O ZINC001151892404 1087816813 /nfs/dbraw/zinc/81/68/13/1087816813.db2.gz QNQVFGRCFWVLKM-MRVPVSSYSA-N 0 0 309.774 3.411 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nccc2cc[nH]c21 ZINC001152251951 1087931087 /nfs/dbraw/zinc/93/10/87/1087931087.db2.gz MSZSDXWRRXDUGW-UHFFFAOYSA-N 0 0 322.412 3.291 20 10 DGCDRN O=C(CSc1ccc(F)cc1)N1Cc2cccc(O)c2C1 ZINC001152565626 1088004945 /nfs/dbraw/zinc/00/49/45/1088004945.db2.gz PGZAJQDSYVYOBW-UHFFFAOYSA-N 0 0 303.358 3.166 20 10 DGCDRN Oc1ccc(CNc2ncnc3sc4c(c32)CCC4)cc1O ZINC001158997327 1088126651 /nfs/dbraw/zinc/12/66/51/1088126651.db2.gz CPJMXUMEGYIVIN-UHFFFAOYSA-N 0 0 313.382 3.203 20 10 DGCDRN Oc1ccc(CNc2cnc3ccc(Cl)cc3n2)cc1O ZINC001158995552 1088126719 /nfs/dbraw/zinc/12/67/19/1088126719.db2.gz JSCHFQDMDAISSR-UHFFFAOYSA-N 0 0 301.733 3.307 20 10 DGCDRN COc1cccc(-c2ccc(NCc3ccc(O)c(O)c3)nn2)c1 ZINC001158997722 1088126822 /nfs/dbraw/zinc/12/68/22/1088126822.db2.gz OMFIBDRJYFRHJX-UHFFFAOYSA-N 0 0 323.352 3.176 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@H]1CCOc2ccccc21 ZINC001159034067 1088153003 /nfs/dbraw/zinc/15/30/03/1088153003.db2.gz QLCDZOTZUALMOM-ZDUSSCGKSA-N 0 0 317.772 3.228 20 10 DGCDRN Nc1ccc(Nc2cnc3ccc(Br)cn23)cc1 ZINC001159203422 1088233459 /nfs/dbraw/zinc/23/34/59/1088233459.db2.gz CWVPPZCFRSNYGO-UHFFFAOYSA-N 0 0 303.163 3.423 20 10 DGCDRN Cc1cccc2c1ccnc2NCC(=O)c1ccc(O)c(O)c1 ZINC001159277691 1088264978 /nfs/dbraw/zinc/26/49/78/1088264978.db2.gz VDVQEUCLEANLHJ-UHFFFAOYSA-N 0 0 308.337 3.249 20 10 DGCDRN O=C(CNc1nccc2ccsc21)c1ccc(O)c(O)c1 ZINC001159276450 1088265959 /nfs/dbraw/zinc/26/59/59/1088265959.db2.gz IQYIWQOLSCMICD-UHFFFAOYSA-N 0 0 300.339 3.002 20 10 DGCDRN O=C(CNc1nccc2c(F)cccc21)c1ccc(O)c(O)c1 ZINC001159279053 1088268203 /nfs/dbraw/zinc/26/82/03/1088268203.db2.gz JGZFOCGYTBBDTF-UHFFFAOYSA-N 0 0 312.300 3.080 20 10 DGCDRN O=C(NCc1cccc(O)c1O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001153798063 1088362879 /nfs/dbraw/zinc/36/28/79/1088362879.db2.gz JYYMKLNKWFRCMZ-MNOVXSKESA-N 0 0 317.307 3.083 20 10 DGCDRN Cc1ccc(SCCC(=O)NCc2cc(O)ccc2O)cc1 ZINC001153879149 1088391784 /nfs/dbraw/zinc/39/17/84/1088391784.db2.gz HDLDLRFHNNUFQG-UHFFFAOYSA-N 0 0 317.410 3.205 20 10 DGCDRN C/C(=C/c1ccccc1Cl)C(=O)NCc1cc(O)ccc1O ZINC001153884688 1088395121 /nfs/dbraw/zinc/39/51/21/1088395121.db2.gz FQMXFZJKMKOVEZ-FLIBITNWSA-N 0 0 317.772 3.471 20 10 DGCDRN COC(=O)c1cc(Nc2ccc(N)cc2)c(OC)cc1Cl ZINC001159735793 1088466477 /nfs/dbraw/zinc/46/64/77/1088466477.db2.gz GNAJTNFQEGJISV-UHFFFAOYSA-N 0 0 306.749 3.461 20 10 DGCDRN Oc1cc2ccccc2cc1CNc1cc2c(nn1)CCOC2 ZINC001160207337 1088697014 /nfs/dbraw/zinc/69/70/14/1088697014.db2.gz YDJHJRZFGBQJAR-UHFFFAOYSA-N 0 0 307.353 3.020 20 10 DGCDRN COC(=O)c1cccnc1NCc1cc2ccccc2cc1O ZINC001160205852 1088697205 /nfs/dbraw/zinc/69/72/05/1088697205.db2.gz HYIBFGUEOXXNHN-UHFFFAOYSA-N 0 0 308.337 3.339 20 10 DGCDRN COc1cccc2c(C(=O)NCc3c(C)cc(C)cc3O)c[nH]c21 ZINC001154882091 1088808308 /nfs/dbraw/zinc/80/83/08/1088808308.db2.gz LMOHSFWORRJOAK-UHFFFAOYSA-N 0 0 324.380 3.429 20 10 DGCDRN CCOc1nc(N(CC)Cc2ccccc2O)ccc1[N+](=O)[O-] ZINC001154889342 1088812595 /nfs/dbraw/zinc/81/25/95/1088812595.db2.gz WRKFWCDOKJIKBQ-UHFFFAOYSA-N 0 0 317.345 3.121 20 10 DGCDRN COC(=O)c1c(Cl)ccnc1NCc1cccc(C)c1O ZINC001160765032 1088947457 /nfs/dbraw/zinc/94/74/57/1088947457.db2.gz QONGDQGQLPXLRA-UHFFFAOYSA-N 0 0 306.749 3.148 20 10 DGCDRN Cc1cc(Cl)nc(C(F)(F)NCc2cccc(C)c2O)n1 ZINC001160765099 1088947649 /nfs/dbraw/zinc/94/76/49/1088947649.db2.gz RZGZQHOFBRYGGC-UHFFFAOYSA-N 0 0 313.735 3.292 20 10 DGCDRN Cc1cccc(CNc2nccc(-c3cccnc3F)n2)c1O ZINC001160770099 1088951000 /nfs/dbraw/zinc/95/10/00/1088951000.db2.gz QIZXNLIGYLOKSP-UHFFFAOYSA-N 0 0 310.332 3.304 20 10 DGCDRN CCOC(=O)/C=C/c1ccc(NCc2cccc(C)c2O)nc1 ZINC001160769525 1088951985 /nfs/dbraw/zinc/95/19/85/1088951985.db2.gz HQUZTXJKTGEHLP-CSKARUKUSA-N 0 0 312.369 3.284 20 10 DGCDRN COc1cnc(NCc2c(C)cc(C)cc2O)nc1NC(C)C ZINC001160808149 1088971529 /nfs/dbraw/zinc/97/15/29/1088971529.db2.gz MHCFYEYZHQJCEY-UHFFFAOYSA-N 0 0 316.405 3.240 20 10 DGCDRN Cc1cc(C)c(CNc2cnc3ccc([N+](=O)[O-])cc3n2)c(O)c1 ZINC001160808116 1088971669 /nfs/dbraw/zinc/97/16/69/1088971669.db2.gz KQVJNHUIVKYSEQ-UHFFFAOYSA-N 0 0 324.340 3.473 20 10 DGCDRN COC(=O)c1cc(Cl)cnc1NCc1c(C)cc(C)cc1O ZINC001160808047 1088972122 /nfs/dbraw/zinc/97/21/22/1088972122.db2.gz HDTDBTSMXDDPGH-UHFFFAOYSA-N 0 0 320.776 3.456 20 10 DGCDRN COc1ccc(CNC(=O)[C@H](C)c2ccc(Cl)cc2)c(O)c1 ZINC001155574208 1089172485 /nfs/dbraw/zinc/17/24/85/1089172485.db2.gz GXVTXYJTNBFBCL-LLVKDONJSA-N 0 0 319.788 3.474 20 10 DGCDRN COc1cnc(N2CCCc3cc(O)c(O)cc3C2)c(Cl)c1 ZINC001155944555 1089308171 /nfs/dbraw/zinc/30/81/71/1089308171.db2.gz HBIBGGBHWWLBEU-UHFFFAOYSA-N 0 0 320.776 3.108 20 10 DGCDRN Cc1cc(C(=O)N[C@H]2COC[C@H]2C)c(C)n1-c1cccc(C)c1 ZINC001156327072 1089478450 /nfs/dbraw/zinc/47/84/50/1089478450.db2.gz VDUZNLPGZNLUEN-ACJLOTCBSA-N 0 0 312.413 3.167 20 10 DGCDRN O=C(c1cccc2cnsc21)N1CCc2cccc(O)c2C1 ZINC001156662862 1089630159 /nfs/dbraw/zinc/63/01/59/1089630159.db2.gz BCXVOLKBWKPHQJ-UHFFFAOYSA-N 0 0 310.378 3.200 20 10 DGCDRN CC(C)[C@H](C(=O)NCc1ccc(O)cc1O)c1ccc(F)cc1 ZINC001162278345 1089650927 /nfs/dbraw/zinc/65/09/27/1089650927.db2.gz HJTJCUQMRUFMGL-KRWDZBQOSA-N 0 0 317.360 3.293 20 10 DGCDRN COc1ccc2ncnc(N(C)Cc3ccc(N(C)C)cc3)c2c1 ZINC001156923415 1089745699 /nfs/dbraw/zinc/74/56/99/1089745699.db2.gz BFKZWWBREKJHRH-UHFFFAOYSA-N 0 0 322.412 3.341 20 10 DGCDRN CO[C@H]1CCC[C@H](C(=O)NCc2c(O)ccc3ccccc32)C1 ZINC001157041872 1089796384 /nfs/dbraw/zinc/79/63/84/1089796384.db2.gz QKWMHFPMLASNRO-GJZGRUSLSA-N 0 0 313.397 3.367 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)[C@@H]1C[C@H]1c1cccnc1 ZINC001157041554 1089797301 /nfs/dbraw/zinc/79/73/01/1089797301.db2.gz JDCUZVSUYQJXIH-DLBZAZTESA-N 0 0 318.376 3.360 20 10 DGCDRN C[C@H]1CC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])CC[C@@H]1O ZINC001236793096 1089873639 /nfs/dbraw/zinc/87/36/39/1089873639.db2.gz HMGIMXSZKOYFHU-ZANVPECISA-N 0 0 304.217 3.292 20 10 DGCDRN Oc1cc(O)c(CCNc2c(Cl)ccnc2Cl)cc1O ZINC001157245525 1089890583 /nfs/dbraw/zinc/89/05/83/1089890583.db2.gz FQBABGBFBHTDRI-UHFFFAOYSA-N 0 0 315.156 3.160 20 10 DGCDRN Oc1cc(O)c(CCNc2ccc3cccc(F)c3n2)cc1O ZINC001157245023 1089890714 /nfs/dbraw/zinc/89/07/14/1089890714.db2.gz GKERJUGSQKNEKC-UHFFFAOYSA-N 0 0 314.316 3.145 20 10 DGCDRN COc1ccc2nc(NCc3ccc(N)cc3)c(Cl)nc2c1 ZINC001162786437 1089955496 /nfs/dbraw/zinc/95/54/96/1089955496.db2.gz VWKRQPQGTNLSOE-UHFFFAOYSA-N 0 0 314.776 3.486 20 10 DGCDRN Cc1ccc(C(=O)NC2(c3cccc(F)c3)CCC2)c(O)c1O ZINC001162868396 1089997783 /nfs/dbraw/zinc/99/77/83/1089997783.db2.gz WJJODCYUMYMYHL-UHFFFAOYSA-N 0 0 315.344 3.355 20 10 DGCDRN COC(=O)c1cnc(Sc2ccc(F)cc2[N+](=O)[O-])s1 ZINC001163384155 1090171016 /nfs/dbraw/zinc/17/10/16/1090171016.db2.gz WNRFIZCJWCJWAK-UHFFFAOYSA-N 0 0 314.319 3.128 20 10 DGCDRN COC(=O)/C=C/c1ccc(N(C)C2CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001163459583 1090190368 /nfs/dbraw/zinc/19/03/68/1090190368.db2.gz IBAKSYBJMMCIIT-SOFGYWHQSA-N 0 0 318.373 3.406 20 10 DGCDRN O=[N+]([O-])c1ccc(NCc2cc(O)ccc2O)c2ccncc21 ZINC001164046846 1090326094 /nfs/dbraw/zinc/32/60/94/1090326094.db2.gz RMLZFKPLODFRFC-UHFFFAOYSA-N 0 0 311.297 3.166 20 10 DGCDRN O=[N+]([O-])c1cnc2ccccc2c1NCc1c(O)cccc1F ZINC001164185610 1090366813 /nfs/dbraw/zinc/36/68/13/1090366813.db2.gz NUAZEFCWWYEPHJ-UHFFFAOYSA-N 0 0 313.288 3.022 20 10 DGCDRN CC1(C)CN(C(=O)Cc2ccc(O)c(O)c2)c2cc(F)ccc21 ZINC001164464207 1090427631 /nfs/dbraw/zinc/42/76/31/1090427631.db2.gz DATHPRANOPGYNN-UHFFFAOYSA-N 0 0 315.344 3.104 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1nccc(Cl)c1F ZINC001165497642 1090525630 /nfs/dbraw/zinc/52/56/30/1090525630.db2.gz HLEQELHDBDYYJW-UHFFFAOYSA-N 0 0 315.131 3.163 20 10 DGCDRN Fc1ccc(-c2noc(-c3csnn3)n2)c(F)c1Cl ZINC001212361798 1090574862 /nfs/dbraw/zinc/57/48/62/1090574862.db2.gz GNXVRJQHYZIOLH-UHFFFAOYSA-N 0 0 300.677 3.187 20 10 DGCDRN COC(=O)c1cnc(SCc2ccc3nccnc3c2)s1 ZINC001166234456 1090591208 /nfs/dbraw/zinc/59/12/08/1090591208.db2.gz LVMRJAQIKZKIID-UHFFFAOYSA-N 0 0 317.395 3.165 20 10 DGCDRN COC(=O)c1cc(OCc2ccc(C)nc2C)ccc1N(C)C ZINC001166713840 1090646013 /nfs/dbraw/zinc/64/60/13/1090646013.db2.gz KNKBMUMRQUDOAD-UHFFFAOYSA-N 0 0 314.385 3.130 20 10 DGCDRN Oc1ccc(Br)cc1CN1Cc2ccncc2C1 ZINC001203642422 1090771754 /nfs/dbraw/zinc/77/17/54/1090771754.db2.gz GWYGJSWCOLXOLJ-UHFFFAOYSA-N 0 0 305.175 3.066 20 10 DGCDRN Oc1ccccc1CN1CCn2c(-c3ccccc3)cnc2C1 ZINC001203560516 1090756854 /nfs/dbraw/zinc/75/68/54/1090756854.db2.gz BLODNNJXIYRPQP-UHFFFAOYSA-N 0 0 305.381 3.272 20 10 DGCDRN CCOc1cccc(CN2CCCC(F)(F)[C@H](F)C2)c1O ZINC001203602444 1090765757 /nfs/dbraw/zinc/76/57/57/1090765757.db2.gz XMAFTRSCSKSMMI-CYBMUJFWSA-N 0 0 303.324 3.360 20 10 DGCDRN Oc1ccc(Br)cc1CN1Cc2cccnc2C1 ZINC001203635794 1090771384 /nfs/dbraw/zinc/77/13/84/1090771384.db2.gz GSHJERFZERKUHZ-UHFFFAOYSA-N 0 0 305.175 3.066 20 10 DGCDRN CCCCOC1CN(Cc2cc(Br)ccc2O)C1 ZINC001203642487 1090771961 /nfs/dbraw/zinc/77/19/61/1090771961.db2.gz JVRYYTDHVZYSJO-UHFFFAOYSA-N 0 0 314.223 3.156 20 10 DGCDRN COc1ccc(O)c(CN2CC(=O)c3cc(Cl)ccc3C2)c1 ZINC001203684429 1090780197 /nfs/dbraw/zinc/78/01/97/1090780197.db2.gz WHILRRIFCLJTLK-UHFFFAOYSA-N 0 0 317.772 3.253 20 10 DGCDRN Cc1nc([C@H]2COCCN2Cc2ccc(N(C)C)cc2)cs1 ZINC001203932200 1090842543 /nfs/dbraw/zinc/84/25/43/1090842543.db2.gz VWLYXYOSNHCGDS-QGZVFWFLSA-N 0 0 317.458 3.091 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1cccc(F)c1F)CCC2 ZINC001204203239 1090920968 /nfs/dbraw/zinc/92/09/68/1090920968.db2.gz VRBFISBAILPHPN-UHFFFAOYSA-N 0 0 305.324 3.324 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1ccc(F)cc1F)CCC2 ZINC001204213021 1090923808 /nfs/dbraw/zinc/92/38/08/1090923808.db2.gz XPFWRHYRUSJOPS-UHFFFAOYSA-N 0 0 305.324 3.324 20 10 DGCDRN C[C@@H](NC(=O)c1nccc2occc21)c1ccc(N(C)C)cc1 ZINC001128247908 1090924938 /nfs/dbraw/zinc/92/49/38/1090924938.db2.gz WGZCEHIIJKDXQO-GFCCVEGCSA-N 0 0 309.369 3.385 20 10 DGCDRN CN(C)c1ccc(CN2CCn3nccc3C2)c2ccccc21 ZINC001204239741 1090931743 /nfs/dbraw/zinc/93/17/43/1090931743.db2.gz DTFAPSVWQMXXAO-UHFFFAOYSA-N 0 0 306.413 3.118 20 10 DGCDRN c1cc([C@@H]2CN(Cc3ccc(N4CCCC4)cc3)CCO2)ccn1 ZINC001204329110 1090950813 /nfs/dbraw/zinc/95/08/13/1090950813.db2.gz XHMGBGOQMXMIFM-FQEVSTJZSA-N 0 0 323.440 3.255 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC001204852007 1091048469 /nfs/dbraw/zinc/04/84/69/1091048469.db2.gz UNNLAHQAIZODKV-NSHDSACASA-N 0 0 321.783 3.354 20 10 DGCDRN CO[C@@H](C(=O)Nc1c2nonc2ccc1Cl)c1ccccc1 ZINC001128704559 1091079648 /nfs/dbraw/zinc/07/96/48/1091079648.db2.gz PEXBTDAOQUGDMS-CQSZACIVSA-N 0 0 317.732 3.202 20 10 DGCDRN CCOC(=O)[C@@]12C[C@@H]1CCN2Cc1c(C)n(C)c2ccccc21 ZINC001138253687 1091126728 /nfs/dbraw/zinc/12/67/28/1091126728.db2.gz CFVYADAUSQTZLI-IFXJQAMLSA-N 0 0 312.413 3.014 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2cn[nH]n2)c1 ZINC001138326115 1091141738 /nfs/dbraw/zinc/14/17/38/1091141738.db2.gz SXLCTEJLAGTSHA-UHFFFAOYSA-N 0 0 315.764 3.118 20 10 DGCDRN CCOC(=O)CN(C/C=C\c1ccc(N(C)C)cc1)C1CCC1 ZINC001205276793 1091161193 /nfs/dbraw/zinc/16/11/93/1091161193.db2.gz MCIFAXJLDDAXFQ-SREVYHEPSA-N 0 0 316.445 3.183 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ccc([S@](C)=O)cc1 ZINC001118010382 1091171695 /nfs/dbraw/zinc/17/16/95/1091171695.db2.gz CHXTUOJCFABGFD-NRFANRHFSA-N 0 0 302.443 3.411 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2noc(CCCCO)n2)cc1 ZINC001205336038 1091191536 /nfs/dbraw/zinc/19/15/36/1091191536.db2.gz UEGNUOUYGZBWGI-UHFFFAOYSA-N 0 0 311.385 3.459 20 10 DGCDRN COC(=O)Cc1cccc(NCc2ccc(Cl)cc2O)c1 ZINC001205380541 1091206373 /nfs/dbraw/zinc/20/63/73/1091206373.db2.gz UOYIDVBDDIKART-UHFFFAOYSA-N 0 0 305.761 3.373 20 10 DGCDRN Nc1ccc(CNC(F)(F)c2cnc(Cl)c(F)c2)cc1 ZINC001162785544 1091217172 /nfs/dbraw/zinc/21/71/72/1091217172.db2.gz GBTJOYPRNCIYKV-UHFFFAOYSA-N 0 0 301.699 3.295 20 10 DGCDRN CCOC(=O)[C@H](C)N(Cc1cc(C(C)C)ccc1O)C1CC1 ZINC001205426391 1091217901 /nfs/dbraw/zinc/21/79/01/1091217901.db2.gz LECLUTMNSOAENG-ZDUSSCGKSA-N 0 0 305.418 3.432 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Nc1ccccc1OCCF ZINC001205491374 1091234988 /nfs/dbraw/zinc/23/49/88/1091234988.db2.gz USNFIQQDZFFQBL-UHFFFAOYSA-N 0 0 318.348 3.404 20 10 DGCDRN C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)c2ccccc2O1 ZINC001293577648 1091259433 /nfs/dbraw/zinc/25/94/33/1091259433.db2.gz NTQQJVPINIJOLD-NSHDSACASA-N 0 0 324.340 3.277 20 10 DGCDRN Cc1cc(C)cc(CCNC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001293729626 1091289656 /nfs/dbraw/zinc/28/96/56/1091289656.db2.gz KROCVFVPCXKVRR-UHFFFAOYSA-N 0 0 324.384 3.438 20 10 DGCDRN C[C@H]1CC=C(C(=O)N2CCOc3cc(N(C)C)ccc32)CC1 ZINC001293955330 1091330430 /nfs/dbraw/zinc/33/04/30/1091330430.db2.gz GKJXOMGQXXZQPD-ZDUSSCGKSA-N 0 0 300.402 3.224 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2ncccc2C)C1 ZINC001205800555 1091353789 /nfs/dbraw/zinc/35/37/89/1091353789.db2.gz YCOVECVLDXQCFK-UHFFFAOYSA-N 0 0 321.424 3.449 20 10 DGCDRN COc1ccc(CNC(=O)c2c(C)cccc2Cl)c(O)c1 ZINC001139031615 1091424853 /nfs/dbraw/zinc/42/48/53/1091424853.db2.gz CIFXYHBLVSKJAR-UHFFFAOYSA-N 0 0 305.761 3.293 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc2cccn2cn1 ZINC001294681897 1091428099 /nfs/dbraw/zinc/42/80/99/1091428099.db2.gz YEUFJULCPAPSSE-UHFFFAOYSA-N 0 0 309.369 3.092 20 10 DGCDRN O=C(c1ccncc1)c1ccccc1Nc1cnn2cccnc12 ZINC001206016492 1091451368 /nfs/dbraw/zinc/45/13/68/1091451368.db2.gz NGQVDXMWXZCCTE-UHFFFAOYSA-N 0 0 315.336 3.099 20 10 DGCDRN CC[N@H+](Cc1ccncc1)Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139126274 1091456879 /nfs/dbraw/zinc/45/68/79/1091456879.db2.gz DFGPDJRWGUQYER-UHFFFAOYSA-N 0 0 324.380 3.224 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCC[C@H](C)CC1 ZINC001139125110 1091456945 /nfs/dbraw/zinc/45/69/45/1091456945.db2.gz MCLDWCXWDILATL-LBPRGKRZSA-N 0 0 301.386 3.429 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2CN1CCn2cccc2[C@@H]1C ZINC001139131538 1091459085 /nfs/dbraw/zinc/45/90/85/1091459085.db2.gz OSXJZUVDWFBTBG-ZDUSSCGKSA-N 0 0 324.380 3.185 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CCC(C)(F)CC1 ZINC001139126811 1091459164 /nfs/dbraw/zinc/45/91/64/1091459164.db2.gz QUCFMYVMTKCWSI-UHFFFAOYSA-N 0 0 305.349 3.131 20 10 DGCDRN CC[C@H](CCO)NC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001295003643 1091486632 /nfs/dbraw/zinc/48/66/32/1091486632.db2.gz DQBKLDIZBVFAKC-MRXNPFEDSA-N 0 0 314.429 3.293 20 10 DGCDRN COc1nc2ccc(NC(=O)C3=CC(=O)CS3)cc2s1 ZINC001139214855 1091492757 /nfs/dbraw/zinc/49/27/57/1091492757.db2.gz QCHHLFLRJURTKB-UHFFFAOYSA-N 0 0 306.368 3.324 20 10 DGCDRN Cc1cnnn1-c1ccc(NCc2cc(F)c(F)cc2O)cc1 ZINC001206430005 1091628660 /nfs/dbraw/zinc/62/86/60/1091628660.db2.gz OOHWQMSYPFLRTO-UHFFFAOYSA-N 0 0 316.311 3.172 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC/C=C\c2ccccc2)cc1 ZINC001295767580 1091632636 /nfs/dbraw/zinc/63/26/36/1091632636.db2.gz LWQBHDZRJNCEDP-MOADIGBWSA-N 0 0 308.341 3.292 20 10 DGCDRN Cc1cc(CN2CCN(C(=O)OC(C)(C)C)C2)ccc1N(C)C ZINC001139674073 1091639570 /nfs/dbraw/zinc/63/95/70/1091639570.db2.gz MPZYQXQGCSVHPW-UHFFFAOYSA-N 0 0 319.449 3.071 20 10 DGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC001139683652 1091641948 /nfs/dbraw/zinc/64/19/48/1091641948.db2.gz PQRUIJCEUUIJEV-LBPRGKRZSA-N 0 0 304.340 3.445 20 10 DGCDRN COc1ncc(CN(C)Cc2ccc(N3CCCC3)cc2)s1 ZINC001139817445 1091677520 /nfs/dbraw/zinc/67/75/20/1091677520.db2.gz QDFDSHUIQZSIGC-UHFFFAOYSA-N 0 0 317.458 3.384 20 10 DGCDRN COc1cc(C)ccc1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001206782642 1091737814 /nfs/dbraw/zinc/73/78/14/1091737814.db2.gz CTOQXWJIQPQMID-UHFFFAOYSA-N 0 0 313.397 3.363 20 10 DGCDRN Oc1ccc(F)cc1CN1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001140060004 1091754321 /nfs/dbraw/zinc/75/43/21/1091754321.db2.gz FXLRNKRUHPJICB-ZDUSSCGKSA-N 0 0 315.270 3.388 20 10 DGCDRN CN(Cc1c(O)cccc1Br)C1CC(F)(F)C1 ZINC001140098577 1091766628 /nfs/dbraw/zinc/76/66/28/1091766628.db2.gz FXJNVUHSCKSOTJ-UHFFFAOYSA-N 0 0 306.150 3.384 20 10 DGCDRN C[C@@H]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1(F)F ZINC001140282733 1091814787 /nfs/dbraw/zinc/81/47/87/1091814787.db2.gz IQPRWDZNOCSFSF-CQSZACIVSA-N 0 0 324.415 3.125 20 10 DGCDRN COC(=O)c1cccc2c1CN(Cc1c(O)cccc1Cl)C2 ZINC001140341405 1091835659 /nfs/dbraw/zinc/83/56/59/1091835659.db2.gz MNZUHFHBOOLBIP-UHFFFAOYSA-N 0 0 317.772 3.348 20 10 DGCDRN COC(=O)CCN(Cc1ccco1)Cc1c(O)cccc1Cl ZINC001140345818 1091837398 /nfs/dbraw/zinc/83/73/98/1091837398.db2.gz ZHRMDYFQUGIQSC-UHFFFAOYSA-N 0 0 323.776 3.204 20 10 DGCDRN Oc1cc(Cl)ccc1C[NH+]1CCC(Oc2cccnc2)CC1 ZINC001140466920 1091879351 /nfs/dbraw/zinc/87/93/51/1091879351.db2.gz MFMLKRNADFQDIP-UHFFFAOYSA-N 0 0 318.804 3.484 20 10 DGCDRN CCCCOc1ncc(N(CCO)c2ccc(N)cc2)cc1C ZINC001203041007 1091880469 /nfs/dbraw/zinc/88/04/69/1091880469.db2.gz LBAQIIIAVPGPNN-UHFFFAOYSA-N 0 0 315.417 3.282 20 10 DGCDRN C[C@@H]1C(=O)Nc2ccccc2CN1Cc1cc(F)c(F)cc1O ZINC001207198876 1091885567 /nfs/dbraw/zinc/88/55/67/1091885567.db2.gz XIVNOUAILJXMTK-SNVBAGLBSA-N 0 0 318.323 3.013 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1c(F)cc(F)cc1F)CCC2 ZINC001140536614 1091900814 /nfs/dbraw/zinc/90/08/14/1091900814.db2.gz SMWMSHUIFVBFRJ-UHFFFAOYSA-N 0 0 323.314 3.464 20 10 DGCDRN CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1c([O-])cc(F)cc1F)C2 ZINC001140581490 1091919798 /nfs/dbraw/zinc/91/97/98/1091919798.db2.gz TVLOQNYSVZXAJB-PXAZEXFGSA-N 0 0 311.372 3.309 20 10 DGCDRN CN(CC[N@H+](C)Cc1ccccc1)Cc1c([O-])cc(F)cc1F ZINC001140585709 1091921359 /nfs/dbraw/zinc/92/13/59/1091921359.db2.gz RORJBNIIFLSSHD-UHFFFAOYSA-N 0 0 320.383 3.234 20 10 DGCDRN CCN(CC)c1ccc(CN2Cc3ncsc3C2)c(O)c1 ZINC001140857749 1092032252 /nfs/dbraw/zinc/03/22/52/1092032252.db2.gz YTGBZTDCZYZRNH-UHFFFAOYSA-N 0 0 303.431 3.211 20 10 DGCDRN COc1cc(CN(C)Cc2cc(Cl)c(C)cc2O)sn1 ZINC001207664816 1092062096 /nfs/dbraw/zinc/06/20/96/1092062096.db2.gz AKYRXTJNXLDOLH-UHFFFAOYSA-N 0 0 312.822 3.451 20 10 DGCDRN C[N@H+](Cc1cccc(-c2ncccn2)c1)Cc1ccccc1O ZINC001140980770 1092093816 /nfs/dbraw/zinc/09/38/16/1092093816.db2.gz KDNOVVLBPAEGTB-UHFFFAOYSA-N 0 0 305.381 3.481 20 10 DGCDRN COc1ccc(CNc2cnc3[nH]ccc3c2C)c(O)c1OC ZINC001207858263 1092122187 /nfs/dbraw/zinc/12/21/87/1092122187.db2.gz JJLKHUJMMHHAJF-UHFFFAOYSA-N 0 0 313.357 3.158 20 10 DGCDRN CC(C)[C@@H]1C[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CCO1 ZINC001141078066 1092129189 /nfs/dbraw/zinc/12/91/89/1092129189.db2.gz JJHTYEOEJIAABN-IBGZPJMESA-N 0 0 314.473 3.242 20 10 DGCDRN Cc1cc([C@@H]2CCCN2Cc2ccc3c(c2)OCCN3C)no1 ZINC001141140044 1092148803 /nfs/dbraw/zinc/14/88/03/1092148803.db2.gz HHTCKDMXMKWBKF-INIZCTEOSA-N 0 0 313.401 3.149 20 10 DGCDRN CN(Cc1cnc(Cl)s1)Cc1ccc2c(c1)OCCN2C ZINC001141139988 1092149132 /nfs/dbraw/zinc/14/91/32/1092149132.db2.gz GVRUSRHQJOFBPD-UHFFFAOYSA-N 0 0 323.849 3.257 20 10 DGCDRN CC[N@H+](Cc1ccc2c(c1)OCCN2C)Cc1ccccc1O ZINC001141144810 1092150436 /nfs/dbraw/zinc/15/04/36/1092150436.db2.gz LJYCXOBJVUVHOM-UHFFFAOYSA-N 0 0 312.413 3.243 20 10 DGCDRN CN1CCOc2cc(C[N@H+](C)CCC(=O)c3ccccc3)ccc21 ZINC001141144069 1092150709 /nfs/dbraw/zinc/15/07/09/1092150709.db2.gz VNDRVMZFJHIRIR-UHFFFAOYSA-N 0 0 324.424 3.220 20 10 DGCDRN Oc1ccc(O)c(CN2Cc3cccc(Br)c3C2)c1 ZINC001141160195 1092156126 /nfs/dbraw/zinc/15/61/26/1092156126.db2.gz SZLCVWJZJHLRFA-UHFFFAOYSA-N 0 0 320.186 3.376 20 10 DGCDRN C[C@H](NC(=O)Nc1cnn2ccccc12)c1ccc(N(C)C)cc1 ZINC001207972315 1092163806 /nfs/dbraw/zinc/16/38/06/1092163806.db2.gz ZJBQTUKSBHCKQW-ZDUSSCGKSA-N 0 0 323.400 3.283 20 10 DGCDRN CCC[C@@H](C)c1cc(NC(=O)c2ccc(C)c(O)c2O)n[nH]1 ZINC001299914854 1092176484 /nfs/dbraw/zinc/17/64/84/1092176484.db2.gz FRQYRQFRUYFOIV-SECBINFHSA-N 0 0 303.362 3.285 20 10 DGCDRN Cc1ccccc1CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001141437263 1092244334 /nfs/dbraw/zinc/24/43/34/1092244334.db2.gz QXEVHHLJEQAFQV-UHFFFAOYSA-N 0 0 324.384 3.472 20 10 DGCDRN C[C@@H](Sc1ccc(F)cc1)C(=O)NCc1ccccc1O ZINC001545681791 1092265448 /nfs/dbraw/zinc/26/54/48/1092265448.db2.gz CLERNKWOKOWKSZ-LLVKDONJSA-N 0 0 305.374 3.328 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cccc(F)c2N)cc1 ZINC001141868789 1092352674 /nfs/dbraw/zinc/35/26/74/1092352674.db2.gz JJCBYBCKBPOQIU-UHFFFAOYSA-N 0 0 315.392 3.184 20 10 DGCDRN CC(C)CC(=O)Nc1c(N)ccc2c1C(=O)c1ccccc1C2=O ZINC001142710410 1092535545 /nfs/dbraw/zinc/53/55/45/1092535545.db2.gz UNPKNWQMYTWKSA-UHFFFAOYSA-N 0 0 322.364 3.029 20 10 DGCDRN O=C(c1ccc2cc[nH]c2c1)N1CCCc2cc(O)c(O)cc2C1 ZINC001149212352 1092670881 /nfs/dbraw/zinc/67/08/81/1092670881.db2.gz PIIQTYRSWPGNGI-UHFFFAOYSA-N 0 0 322.364 3.168 20 10 DGCDRN Cc1ccc2[nH]c(C(=O)N3CCc4cccc(O)c4C3)cc2c1 ZINC001149487760 1092698112 /nfs/dbraw/zinc/69/81/12/1092698112.db2.gz KPQQCMXHGPIRTC-UHFFFAOYSA-N 0 0 306.365 3.380 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2cc3cc(O)ccc3[nH]2)c(O)c1 ZINC001149511148 1092702642 /nfs/dbraw/zinc/70/26/42/1092702642.db2.gz XQAVVFUJRIANRU-UHFFFAOYSA-N 0 0 310.353 3.126 20 10 DGCDRN CC(C)(C)CC[NH+]1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001204375379 1092727547 /nfs/dbraw/zinc/72/75/47/1092727547.db2.gz RIWLUQSQUJTURH-UHFFFAOYSA-N 0 0 312.404 3.224 20 10 DGCDRN COc1cccc2c(C(=O)N(C)Cc3ccccc3O)coc21 ZINC001149872225 1092739184 /nfs/dbraw/zinc/73/91/84/1092739184.db2.gz VAUADXFYZKEYBN-UHFFFAOYSA-N 0 0 311.337 3.419 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(F)c(O)c1 ZINC001150386879 1092777211 /nfs/dbraw/zinc/77/72/11/1092777211.db2.gz NDCBALZDHOIVGT-UHFFFAOYSA-N 0 0 315.344 3.046 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(CN2Cc3cnn(C)c3C2)cc1 ZINC001209518847 1092805537 /nfs/dbraw/zinc/80/55/37/1092805537.db2.gz URXLRHVJKKFOSE-UHFFFAOYSA-N 0 0 306.413 3.343 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(CN2CCn3cncc3C2)cc1 ZINC001209520519 1092807155 /nfs/dbraw/zinc/80/71/55/1092807155.db2.gz ZWLBPARPFJMJMU-UHFFFAOYSA-N 0 0 306.413 3.306 20 10 DGCDRN COC(=O)c1cc(OC)ccc1Nc1ccc2c(c1)OCCN2 ZINC001209728918 1092894633 /nfs/dbraw/zinc/89/46/33/1092894633.db2.gz VQAWCFKYMUZHQZ-UHFFFAOYSA-N 0 0 314.341 3.030 20 10 DGCDRN COC(=O)c1cccc(OC)c1Nc1ccc2c(c1)OCCN2 ZINC001209766486 1092911846 /nfs/dbraw/zinc/91/18/46/1092911846.db2.gz APUZDZSCMDCPIB-UHFFFAOYSA-N 0 0 314.341 3.030 20 10 DGCDRN COc1ccc(Nc2ccc3c(c2)OCCN3)c(OC)c1F ZINC001209790236 1092923312 /nfs/dbraw/zinc/92/33/12/1092923312.db2.gz XAAYHWMAJGDJJM-UHFFFAOYSA-N 0 0 304.321 3.391 20 10 DGCDRN CC1(C)NC(=O)c2cc(Nc3ccc4c(c3)OCCN4)ccc21 ZINC001209791558 1092924107 /nfs/dbraw/zinc/92/41/07/1092924107.db2.gz AZYSIBFBCZYEPS-UHFFFAOYSA-N 0 0 309.369 3.213 20 10 DGCDRN COCCOc1c(F)cccc1Nc1ccc2c(c1)OCCN2 ZINC001209788864 1092924254 /nfs/dbraw/zinc/92/42/54/1092924254.db2.gz IRFBLEGPXNPKCC-UHFFFAOYSA-N 0 0 318.348 3.399 20 10 DGCDRN Cc1oncc1Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001210581557 1093218244 /nfs/dbraw/zinc/21/82/44/1093218244.db2.gz VMFMEKPXQUWNLQ-UHFFFAOYSA-N 0 0 320.304 3.208 20 10 DGCDRN Nc1ccc(OC(=O)c2ccc(Nc3ccncn3)cc2)cc1 ZINC001211028962 1093356644 /nfs/dbraw/zinc/35/66/44/1093356644.db2.gz XBOAGMGJMGHWSW-UHFFFAOYSA-N 0 0 306.325 3.022 20 10 DGCDRN Nc1ccc(N(c2ccc(N)cc2)c2cncc(CO)c2)cc1 ZINC001211107290 1093381517 /nfs/dbraw/zinc/38/15/17/1093381517.db2.gz QGWJBCHYMXKXHE-UHFFFAOYSA-N 0 0 306.369 3.208 20 10 DGCDRN Nc1ccc(N(CCO)c2ccc(OCC(F)F)cc2)cc1 ZINC001213305283 1093561824 /nfs/dbraw/zinc/56/18/24/1093561824.db2.gz VFAZMYWDIAZAIS-UHFFFAOYSA-N 0 0 308.328 3.043 20 10 DGCDRN C[C@@H](NS(=O)(=O)c1cccc(Cl)c1)c1ccccc1O ZINC001213415566 1093582075 /nfs/dbraw/zinc/58/20/75/1093582075.db2.gz UXCLEIJMGVWSIH-SNVBAGLBSA-N 0 0 311.790 3.085 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)Nc1ccc(Cl)nc1 ZINC001214897686 1093873651 /nfs/dbraw/zinc/87/36/51/1093873651.db2.gz FMPIRVRBOIXTLO-UHFFFAOYSA-N 0 0 312.156 3.416 20 10 DGCDRN CCCOc1ccc(F)c(N(CCO)c2ccc(N)cc2)c1F ZINC001215568106 1094002828 /nfs/dbraw/zinc/00/28/28/1094002828.db2.gz GFTHOZPWQKYVEO-UHFFFAOYSA-N 0 0 322.355 3.466 20 10 DGCDRN Oc1ccc(Br)cc1CN1CCCC(F)(F)C1 ZINC000404960927 1094277171 /nfs/dbraw/zinc/27/71/71/1094277171.db2.gz VGGQSKZTSCWIBZ-UHFFFAOYSA-N 0 0 306.150 3.386 20 10 DGCDRN Cc1cnccc1-c1noc(-c2ccc(O)c(O)c2Cl)n1 ZINC001216952071 1094283571 /nfs/dbraw/zinc/28/35/71/1094283571.db2.gz SGHRAPRQWVYTCQ-UHFFFAOYSA-N 0 0 303.705 3.172 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)NC1(C(F)(F)F)CCC1 ZINC001119811410 1094291679 /nfs/dbraw/zinc/29/16/79/1094291679.db2.gz JHAJMADPCPJWCJ-UHFFFAOYSA-N 0 0 322.714 3.330 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@H]1OC ZINC001120734543 1094507620 /nfs/dbraw/zinc/50/76/20/1094507620.db2.gz MENFJPANSZQPIL-NVXWUHKLSA-N 0 0 305.418 3.336 20 10 DGCDRN Nc1ccc(CNC(=O)N2CCC[C@H]2c2ccsc2)cc1 ZINC001336289899 1094615892 /nfs/dbraw/zinc/61/58/92/1094615892.db2.gz CPAXQLVAEMLUPV-HNNXBMFYSA-N 0 0 301.415 3.377 20 10 DGCDRN Nc1ccc(CNC(=O)N2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)cc1 ZINC001336289868 1094616438 /nfs/dbraw/zinc/61/64/38/1094616438.db2.gz BHRAAUCRDZKRIY-YTQUADARSA-N 0 0 321.424 3.214 20 10 DGCDRN CCO[C@@H]1C[C@H](NC(=O)N[C@H](C)c2ccccc2O)C12CCC2 ZINC001336448345 1094651663 /nfs/dbraw/zinc/65/16/63/1094651663.db2.gz ARIMIEZGUOLXTC-UHOFOFEASA-N 0 0 318.417 3.100 20 10 DGCDRN CCC/C=C\[C@@H](O)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC001135732847 1094655917 /nfs/dbraw/zinc/65/59/17/1094655917.db2.gz ISSLNFRYGXYAPS-HJCTWCACSA-N 0 0 318.461 3.208 20 10 DGCDRN O=C1c2ccccc2C(=O)c2c(OC3CCC(O)CC3)cccc21 ZINC001218364851 1094737146 /nfs/dbraw/zinc/73/71/46/1094737146.db2.gz MFWDIORYCBIJIV-UHFFFAOYSA-N 0 0 322.360 3.144 20 10 DGCDRN Cc1ccc(C2CCN(C(=O)NCc3ccc(N)cc3)CC2)cn1 ZINC001337070851 1094842044 /nfs/dbraw/zinc/84/20/44/1094842044.db2.gz YFUYQGXFQICJKK-UHFFFAOYSA-N 0 0 324.428 3.061 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CNc2ccccc21 ZINC001121957675 1094844141 /nfs/dbraw/zinc/84/41/41/1094844141.db2.gz ZUKVWJPODWXBBD-QGZVFWFLSA-N 0 0 322.408 3.097 20 10 DGCDRN COc1cc(C(F)(F)F)ccc1NC(=O)Cc1ccc(N)cc1 ZINC001218936743 1094907737 /nfs/dbraw/zinc/90/77/37/1094907737.db2.gz ZQRAIDLJOJAHHX-UHFFFAOYSA-N 0 0 324.302 3.477 20 10 DGCDRN C[C@@H](NCc1cc(Br)ccc1O)c1cscn1 ZINC000697935121 1095052437 /nfs/dbraw/zinc/05/24/37/1095052437.db2.gz IKINGCNWOSKJPR-MRVPVSSYSA-N 0 0 313.220 3.462 20 10 DGCDRN CCCCCCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001220544821 1095110008 /nfs/dbraw/zinc/11/00/08/1095110008.db2.gz BPDGFULAYMLSHF-OAHLLOKOSA-N 0 0 319.449 3.153 20 10 DGCDRN C[C@H](Nc1ccc2c(c1)NC(=O)CO2)c1ccc(F)cc1O ZINC000316072257 1095156616 /nfs/dbraw/zinc/15/66/16/1095156616.db2.gz HPTQYJHBTKGKFX-VIFPVBQESA-N 0 0 302.305 3.035 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC[C@H]2CCC[C@H]2C2CC2)cc1 ZINC001221011762 1095186614 /nfs/dbraw/zinc/18/66/14/1095186614.db2.gz WPUXNCVAQQNCET-AEFFLSMTSA-N 0 0 315.461 3.378 20 10 DGCDRN CC[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)[C@H]1C ZINC001221545867 1095298402 /nfs/dbraw/zinc/29/84/02/1095298402.db2.gz XVMZYWLBVXYEOE-GXTWGEPZSA-N 0 0 307.413 3.222 20 10 DGCDRN Nc1ccc(CNC(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC001338730534 1095374392 /nfs/dbraw/zinc/37/43/92/1095374392.db2.gz BKSYPNTUUWPEIM-PKOBYXMFSA-N 0 0 323.440 3.479 20 10 DGCDRN C[C@H]1CCN(c2nnc(C3SC=CC3=O)n2C)CC1(C)C ZINC001338750648 1095379703 /nfs/dbraw/zinc/37/97/03/1095379703.db2.gz MZRDBRYFVIIZLK-JTQLQIEISA-N 0 0 306.435 3.122 20 10 DGCDRN CCOc1ccc(-c2ccn(Cc3ccccn3)c(=O)c2)c(C)n1 ZINC001222117030 1095442741 /nfs/dbraw/zinc/44/27/41/1095442741.db2.gz WOVHOTHHLKEAQJ-UHFFFAOYSA-N 0 0 321.380 3.061 20 10 DGCDRN COc1ccc(F)c(CN2CCc3cccc(O)c3C2)c1F ZINC001143980228 1095460215 /nfs/dbraw/zinc/46/02/15/1095460215.db2.gz FZCAOSGQQPRNDF-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN CCc1nnc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]1 ZINC001116290225 1095506064 /nfs/dbraw/zinc/50/60/64/1095506064.db2.gz DFHAHTJCIUGLSU-UHFFFAOYSA-N 0 0 309.373 3.027 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)C=C(CC)CC)CC2)cc1 ZINC001116421776 1095545554 /nfs/dbraw/zinc/54/55/54/1095545554.db2.gz WEKRMYBBDNKQTI-UHFFFAOYSA-N 0 0 316.445 3.480 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N3CC4CCC3CC4)ccc21 ZINC001116463476 1095564804 /nfs/dbraw/zinc/56/48/04/1095564804.db2.gz BKMUTYUSBVTEPI-UHFFFAOYSA-N 0 0 313.445 3.153 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1CN1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222395272 1095590477 /nfs/dbraw/zinc/59/04/77/1095590477.db2.gz JRLWBBJWPMQOQR-INIZCTEOSA-N 0 0 312.816 3.293 20 10 DGCDRN [O-]c1cc(F)c(Br)cc1C[NH+]1CC2CC(C2)C1 ZINC001144307574 1095602322 /nfs/dbraw/zinc/60/23/22/1095602322.db2.gz AISOREOKGHTRDV-UHFFFAOYSA-N 0 0 300.171 3.136 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCC(C)(C)O1 ZINC001124550031 1095603762 /nfs/dbraw/zinc/60/37/62/1095603762.db2.gz VXEAFUWASDSGAZ-KRWDZBQOSA-N 0 0 316.445 3.203 20 10 DGCDRN Cc1ccc(OCC(=O)Nc2c3nonc3ccc2Cl)cc1 ZINC001339438888 1095624241 /nfs/dbraw/zinc/62/42/41/1095624241.db2.gz SHBGSNWPNTWLMR-UHFFFAOYSA-N 0 0 317.732 3.202 20 10 DGCDRN CCO[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C(C)C ZINC001124905477 1095642550 /nfs/dbraw/zinc/64/25/50/1095642550.db2.gz LATDFOKAHLBPGR-SFHVURJKSA-N 0 0 318.461 3.305 20 10 DGCDRN COc1cccc(O)c1CN(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC001116826874 1095672708 /nfs/dbraw/zinc/67/27/08/1095672708.db2.gz PONHUZJRAGHCBB-UHFFFAOYSA-N 0 0 303.406 3.053 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ncc(Cl)s1 ZINC001116861456 1095683996 /nfs/dbraw/zinc/68/39/96/1095683996.db2.gz RYAIEZLRBOEXAJ-UHFFFAOYSA-N 0 0 322.817 3.311 20 10 DGCDRN Cc1ccc(N2C(=O)/C(=C/c3csnn3)SC2=S)cc1 ZINC000209182395 1095713931 /nfs/dbraw/zinc/71/39/31/1095713931.db2.gz HXLZXJHTQBNCQP-WDZFZDKYSA-N 0 0 319.436 3.252 20 10 DGCDRN CC[C@@H]([NH2+]CCC(=O)N1CCC[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC001117140076 1095720251 /nfs/dbraw/zinc/72/02/51/1095720251.db2.gz YXLVUPTVDQCHMP-CZUORRHYSA-N 0 0 322.424 3.221 20 10 DGCDRN Cc1coc(C(=O)NCc2cc(Br)ccc2O)c1C ZINC001117269424 1095752960 /nfs/dbraw/zinc/75/29/60/1095752960.db2.gz MVRDUIUMYHPLGB-UHFFFAOYSA-N 0 0 324.174 3.295 20 10 DGCDRN O=C1NC(=S)S/C1=C/c1ccc(OCC(F)(F)F)cc1 ZINC000209250701 1095898792 /nfs/dbraw/zinc/89/87/92/1095898792.db2.gz PMPXKQGGSHEKPQ-WEVVVXLNSA-N 0 0 319.329 3.117 20 10 DGCDRN Cc1cc(C)c(CNc2nc(Cl)nc3c2COC3)c(O)c1 ZINC001160808685 1095966629 /nfs/dbraw/zinc/96/66/29/1095966629.db2.gz YIBXQZHYMRWTQD-UHFFFAOYSA-N 0 0 305.765 3.095 20 10 DGCDRN COc1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1C ZINC001146248176 1096003999 /nfs/dbraw/zinc/00/39/99/1096003999.db2.gz UKVSJXULNGQASH-UHFFFAOYSA-N 0 0 305.761 3.293 20 10 DGCDRN COc1ccc(N2CC[C@H](Nc3nccnc3C(F)F)C2)cc1 ZINC001118537609 1096028809 /nfs/dbraw/zinc/02/88/09/1096028809.db2.gz PWIPYIJSWSAVSU-NSHDSACASA-N 0 0 320.343 3.114 20 10 DGCDRN COc1ccc(N2CCCC3(CN(Cc4ccc[nH]4)C3)C2)cc1 ZINC001276924256 1096078246 /nfs/dbraw/zinc/07/82/46/1096078246.db2.gz GLEPLANQYSGICD-UHFFFAOYSA-N 0 0 311.429 3.126 20 10 DGCDRN COC[C@H](C)n1ccc(NCc2cc(F)c(N(C)C)cc2F)n1 ZINC001118804494 1096080844 /nfs/dbraw/zinc/08/08/44/1096080844.db2.gz LXDXRILUXNCZQC-NSHDSACASA-N 0 0 324.375 3.047 20 10 DGCDRN COc1ccccc1C1(C(=O)N(C)c2ccc(N)cc2)CCC1 ZINC001119242721 1096143603 /nfs/dbraw/zinc/14/36/03/1096143603.db2.gz GODREPCZGFRMAO-UHFFFAOYSA-N 0 0 310.397 3.362 20 10 DGCDRN O=C(NCCCC(F)F)NCc1c(O)ccc2c1CCCC2 ZINC001119687907 1096245542 /nfs/dbraw/zinc/24/55/42/1096245542.db2.gz OCDYAAQXMBQAOA-UHFFFAOYSA-N 0 0 312.360 3.116 20 10 DGCDRN O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)c1cc2cc(O)c(O)cc2s1 ZINC001147563681 1096246306 /nfs/dbraw/zinc/24/63/06/1096246306.db2.gz IMICCDGVOCUDPS-JBLDHEPKSA-N 0 0 317.410 3.479 20 10 DGCDRN CCc1cc(C(=O)N2CCCc3cc(O)c(O)cc3C2)cs1 ZINC001147710830 1096259720 /nfs/dbraw/zinc/25/97/20/1096259720.db2.gz ROKOGFRXWNESOQ-UHFFFAOYSA-N 0 0 317.410 3.310 20 10 DGCDRN O=C(Nc1ccc(C2CCOCC2)cc1)c1cccc(O)c1O ZINC001148219071 1096328693 /nfs/dbraw/zinc/32/86/93/1096328693.db2.gz QTVONBSJQWTWFY-UHFFFAOYSA-N 0 0 313.353 3.244 20 10 DGCDRN COc1ccc(CNC(=O)c2cccc(O)c2O)c2ccccc12 ZINC001148224806 1096329924 /nfs/dbraw/zinc/32/99/24/1096329924.db2.gz VSJUERIGSNSECT-UHFFFAOYSA-N 0 0 323.348 3.190 20 10 DGCDRN C[C@@H]1CC[C@@H](CNC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC001225138375 1096352333 /nfs/dbraw/zinc/35/23/33/1096352333.db2.gz HFPDONBGTLCUDJ-HUUCEWRRSA-N 0 0 315.461 3.304 20 10 DGCDRN O=C(Nc1ccc2cc(F)ccc2c1)c1cc(O)c(O)c(O)c1 ZINC001148585922 1096407044 /nfs/dbraw/zinc/40/70/44/1096407044.db2.gz FAMTYMYUUVDCST-UHFFFAOYSA-N 0 0 313.284 3.348 20 10 DGCDRN NC(=S)c1cccnc1NCc1cc2ccccc2cc1O ZINC001171401958 1096668738 /nfs/dbraw/zinc/66/87/38/1096668738.db2.gz DFAOXCPDPGAWMK-UHFFFAOYSA-N 0 0 309.394 3.187 20 10 DGCDRN Cn1cnc2cc(NCc3cc4ccccc4cc3O)cnc21 ZINC001171404735 1096675228 /nfs/dbraw/zinc/67/52/28/1096675228.db2.gz LDQYMUBXIMFMLZ-UHFFFAOYSA-N 0 0 304.353 3.439 20 10 DGCDRN O=c1c(NCc2cc3ccccc3cc2O)ccnn1CC1CC1 ZINC001171406715 1096676420 /nfs/dbraw/zinc/67/64/20/1096676420.db2.gz DCUPDLUVGRERAB-UHFFFAOYSA-N 0 0 321.380 3.124 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@@H]1CC1(C)C ZINC001227301171 1096914060 /nfs/dbraw/zinc/91/40/60/1096914060.db2.gz HURMTHDRRJBFFP-INIZCTEOSA-N 0 0 315.461 3.474 20 10 DGCDRN C[C@H](NC(=O)c1cccc(-c2cnn(C)c2)c1)c1ccccc1O ZINC001171731000 1096956653 /nfs/dbraw/zinc/95/66/53/1096956653.db2.gz WFRSOGYMFONRAI-ZDUSSCGKSA-N 0 0 321.380 3.284 20 10 DGCDRN C[C@@H]1[C@@H](Oc2ccc(N(C)C)cc2)CN1C(=O)OC(C)(C)C ZINC001227939038 1097017154 /nfs/dbraw/zinc/01/71/54/1097017154.db2.gz IXAXMCURVSKZSD-DOMZBBRYSA-N 0 0 306.406 3.139 20 10 DGCDRN COC(=O)[C@H](Oc1ccc(N(C)C)cc1)c1cccc(F)c1 ZINC001227939535 1097017294 /nfs/dbraw/zinc/01/72/94/1097017294.db2.gz YIGSBBDSPFDFIT-MRXNPFEDSA-N 0 0 303.333 3.185 20 10 DGCDRN COC(=O)[C@@H](Cc1ccc(F)cc1)Oc1ccc(N(C)C)cc1 ZINC001227938988 1097017536 /nfs/dbraw/zinc/01/75/36/1097017536.db2.gz AWGJRMHOUQPHFL-QGZVFWFLSA-N 0 0 317.360 3.055 20 10 DGCDRN O=C1c2ccccc2C(=O)c2c(OC3CCOCC3)cccc21 ZINC001228074667 1097045593 /nfs/dbraw/zinc/04/55/93/1097045593.db2.gz SUAJHUGAZPUMHW-UHFFFAOYSA-N 0 0 308.333 3.020 20 10 DGCDRN O=C(c1ccc(O)cc1)c1ccc(O)c(O)c1O[C@H]1C=CCC1 ZINC001228111536 1097052259 /nfs/dbraw/zinc/05/22/59/1097052259.db2.gz VHIRPXQYUXNSPG-ZDUSSCGKSA-N 0 0 312.321 3.132 20 10 DGCDRN O=C1c2ccccc2C(=O)c2c(O[C@@H]3C=CCC3)ccc(O)c21 ZINC001228217655 1097076451 /nfs/dbraw/zinc/07/64/51/1097076451.db2.gz YVDLLXWXOVHPCH-LLVKDONJSA-N 0 0 306.317 3.265 20 10 DGCDRN CC1(C)C[C@H]([NH2+]Cc2cc(Cl)c3cccnc3c2[O-])CO1 ZINC001172274696 1097087346 /nfs/dbraw/zinc/08/73/46/1097087346.db2.gz APLFLKMEFMMVNV-NSHDSACASA-N 0 0 306.793 3.251 20 10 DGCDRN CN(C)c1ccccc1-c1noc(-c2nnsc2C2CC2)n1 ZINC001212679765 1097227894 /nfs/dbraw/zinc/22/78/94/1097227894.db2.gz SORPNOAXWKBOFB-UHFFFAOYSA-N 0 0 313.386 3.199 20 10 DGCDRN O=C(NCc1c(O)cccc1F)N[C@@H]1C[C@H]1C1CCCCC1 ZINC001229184407 1097272813 /nfs/dbraw/zinc/27/28/13/1097272813.db2.gz FDNCLHRUOCISCY-SWLSCSKDSA-N 0 0 306.381 3.299 20 10 DGCDRN CC(C)CNC(=O)c1cccc(Nc2cccc(O)c2O)c1 ZINC001174194896 1097640512 /nfs/dbraw/zinc/64/05/12/1097640512.db2.gz OJWMLHLYGYXDIT-UHFFFAOYSA-N 0 0 300.358 3.227 20 10 DGCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1-c1cncc(F)c1 ZINC001174289802 1097657911 /nfs/dbraw/zinc/65/79/11/1097657911.db2.gz QIPIIRKKOFRLCM-XSRZAUOLSA-N 0 0 308.320 3.488 20 10 DGCDRN Nc1ccc(NC(=O)Nc2ccc(Nc3cn[nH]c3)cc2)cc1 ZINC001174300246 1097660423 /nfs/dbraw/zinc/66/04/23/1097660423.db2.gz UOQUXEKUCBGCRY-UHFFFAOYSA-N 0 0 308.345 3.380 20 10 DGCDRN Nc1ccc(NC(=O)Nc2ccc(Nc3cncnc3)cc2)cc1 ZINC001174389138 1097706536 /nfs/dbraw/zinc/70/65/36/1097706536.db2.gz KBEUNZDPBIKXPT-UHFFFAOYSA-N 0 0 320.356 3.446 20 10 DGCDRN CC[C@H](COC)Oc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001231266505 1097708078 /nfs/dbraw/zinc/70/80/78/1097708078.db2.gz WGZBTERHXUVRAB-GFCCVEGCSA-N 0 0 310.349 3.266 20 10 DGCDRN CC[C@@H](COc1ccc2c(c1)C(=O)c1ccccc1C2=O)OC ZINC001231266287 1097708107 /nfs/dbraw/zinc/70/81/07/1097708107.db2.gz REZHJNJOVZFQQD-LBPRGKRZSA-N 0 0 310.349 3.266 20 10 DGCDRN COc1ccc(Cn2cc(N(C)c3ccc(N)cc3)cn2)cc1 ZINC001174439053 1097714548 /nfs/dbraw/zinc/71/45/48/1097714548.db2.gz XVPPZOSYJNBUNG-UHFFFAOYSA-N 0 0 308.385 3.290 20 10 DGCDRN CN(C)c1ccc(C[N@H+](C)Cc2cc(C(=O)[O-])ccc2F)cc1 ZINC001231460577 1097752873 /nfs/dbraw/zinc/75/28/73/1097752873.db2.gz MLEJIIMKXPAZRR-UHFFFAOYSA-N 0 0 316.376 3.222 20 10 DGCDRN C[N@H+](Cc1cccc(Cl)c1)Cc1cc(C(=O)[O-])ccc1O ZINC001231563719 1097780408 /nfs/dbraw/zinc/78/04/08/1097780408.db2.gz KOQBOENPZCZVNV-UHFFFAOYSA-N 0 0 305.761 3.376 20 10 DGCDRN Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(C(=O)[O-])ccc2O)cn1 ZINC001231565577 1097780812 /nfs/dbraw/zinc/78/08/12/1097780812.db2.gz GZJXMQOSCPXZKS-INIZCTEOSA-N 0 0 312.369 3.131 20 10 DGCDRN Oc1cccc2c1CN(Cc1cc(Br)c[nH]1)CC2 ZINC001231580288 1097784106 /nfs/dbraw/zinc/78/41/06/1097784106.db2.gz QEWCDSLGYKTIAQ-UHFFFAOYSA-N 0 0 307.191 3.041 20 10 DGCDRN Cc1cc2n(n1)c(=O)cc(C)n2Cc1c(O)ccc2ccccc21 ZINC001231590094 1097785672 /nfs/dbraw/zinc/78/56/72/1097785672.db2.gz JDJHOOWEFWIQIF-UHFFFAOYSA-N 0 0 319.364 3.020 20 10 DGCDRN COc1cc(CN2Cc3cccc(Cl)c3C2)c(O)cc1O ZINC001231639541 1097798947 /nfs/dbraw/zinc/79/89/47/1097798947.db2.gz SJPWCKLVPDEEHK-UHFFFAOYSA-N 0 0 305.761 3.276 20 10 DGCDRN Cc1cc(C)c(CN2CC(C)(NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001231847086 1097861475 /nfs/dbraw/zinc/86/14/75/1097861475.db2.gz VLSXXIBZRNKJDU-UHFFFAOYSA-N 0 0 320.433 3.108 20 10 DGCDRN COC(=O)CN(Cc1ccccc1)Cc1c(C)cc(C)cc1O ZINC001231846779 1097862136 /nfs/dbraw/zinc/86/21/36/1097862136.db2.gz OXOGLNMXQIYHTE-UHFFFAOYSA-N 0 0 313.397 3.184 20 10 DGCDRN Cc1cc(C)c(CN2CC[C@@H]2N(C)C(=O)OC(C)(C)C)c(O)c1 ZINC001231848777 1097864207 /nfs/dbraw/zinc/86/42/07/1097864207.db2.gz LZHZXUPABYRYQC-MRXNPFEDSA-N 0 0 320.433 3.408 20 10 DGCDRN COc1cc(N(C)C)ccc1C[NH+]1CCC(OC2CCC2)CC1 ZINC001231851477 1097865112 /nfs/dbraw/zinc/86/51/12/1097865112.db2.gz HYBLYLOXCULZRD-UHFFFAOYSA-N 0 0 318.461 3.295 20 10 DGCDRN Cc1cccc(O[C@H]2CC[N@H+](Cc3cccc(Cl)c3[O-])C2)n1 ZINC001231913012 1097890220 /nfs/dbraw/zinc/89/02/20/1097890220.db2.gz CRIZYKDSISMLPL-AWEZNQCLSA-N 0 0 318.804 3.402 20 10 DGCDRN [O-]c1c(Cl)cccc1CN1CCOC[C@H]1c1cccnc1 ZINC001231914894 1097891498 /nfs/dbraw/zinc/89/14/98/1097891498.db2.gz VMQNKJPKSKHZOM-HNNXBMFYSA-N 0 0 304.777 3.014 20 10 DGCDRN COc1cc2c(cn1)CCN(Cc1cccc(Cl)c1[O-])C2 ZINC001231914164 1097892260 /nfs/dbraw/zinc/89/22/60/1097892260.db2.gz ZTDOOOOZVIVFMW-UHFFFAOYSA-N 0 0 304.777 3.008 20 10 DGCDRN O=C(c1ccc(F)c(Cl)c1F)N1Cc2cccc(O)c2C1 ZINC001175037405 1097925571 /nfs/dbraw/zinc/92/55/71/1097925571.db2.gz HDBSZDGITIZTNX-UHFFFAOYSA-N 0 0 309.699 3.480 20 10 DGCDRN Cc1ccc2cc(C(=O)N3Cc4cccc(O)c4C3)ccc2n1 ZINC001175037109 1097925834 /nfs/dbraw/zinc/92/58/34/1097925834.db2.gz CPQBIECNKDIULI-UHFFFAOYSA-N 0 0 304.349 3.405 20 10 DGCDRN C[C@@H]1C[C@@H](F)CN1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232195379 1097961598 /nfs/dbraw/zinc/96/15/98/1097961598.db2.gz SXSNOTUYSLPXHG-TZMCWYRMSA-N 0 0 312.816 3.109 20 10 DGCDRN Nc1ccc(OC(=O)c2ccc(Nc3ccncc3F)cc2)cc1 ZINC001175201436 1097964297 /nfs/dbraw/zinc/96/42/97/1097964297.db2.gz ADWAVRVSBDOMCG-UHFFFAOYSA-N 0 0 323.327 3.188 20 10 DGCDRN COc1cc(O)c(C[N@@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)cc1Cl ZINC001232267887 1097989140 /nfs/dbraw/zinc/98/91/40/1097989140.db2.gz KQRAJTNVQWGGDC-ITDIGPHOSA-N 0 0 311.809 3.054 20 10 DGCDRN CS(=O)(=O)N(c1ccc(N)cc1)c1cc(Cl)ccc1F ZINC001175299463 1097993301 /nfs/dbraw/zinc/99/33/01/1097993301.db2.gz CEHOAGPMUFGTMJ-UHFFFAOYSA-N 0 0 314.769 3.159 20 10 DGCDRN CCN(C)c1ccc(CNC(C)(C)C(=O)OC(C)(C)C)cc1 ZINC001175260111 1097995182 /nfs/dbraw/zinc/99/51/82/1097995182.db2.gz KJPSILSJQKQKLA-UHFFFAOYSA-N 0 0 306.450 3.353 20 10 DGCDRN COC(=O)c1c(CN2CCc3occc3C2)c2ccccc2n1C ZINC001232406385 1098030420 /nfs/dbraw/zinc/03/04/20/1098030420.db2.gz VRRPSBFDKIDGKK-UHFFFAOYSA-N 0 0 324.380 3.116 20 10 DGCDRN Cc1nc(N)ncc1Nc1ccccc1C(=O)c1ccccc1 ZINC001175670180 1098132932 /nfs/dbraw/zinc/13/29/32/1098132932.db2.gz XMGZOWVJERJGDR-UHFFFAOYSA-N 0 0 304.353 3.342 20 10 DGCDRN Nc1ccc(N(CCO)c2cnn(C3CCCCC3)c2)cc1 ZINC001175878897 1098185771 /nfs/dbraw/zinc/18/57/71/1098185771.db2.gz VKSJKJKSDRBSNO-UHFFFAOYSA-N 0 0 300.406 3.101 20 10 DGCDRN COc1ccccc1[C@@H](C)N(C)Cc1cc(O)c(O)c(O)c1 ZINC001233017424 1098204210 /nfs/dbraw/zinc/20/42/10/1098204210.db2.gz UYSSTTVPSLPSAF-LLVKDONJSA-N 0 0 303.358 3.005 20 10 DGCDRN [O-]c1cc(Br)cc(F)c1C[N@@H+]1CCC[C@@H](CF)C1 ZINC001233032307 1098208387 /nfs/dbraw/zinc/20/83/87/1098208387.db2.gz ZDNPWSHSGDGPKE-VIFPVBQESA-N 0 0 320.177 3.475 20 10 DGCDRN CN1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C[C@@H]1c1ccccc1 ZINC001233077690 1098220826 /nfs/dbraw/zinc/22/08/26/1098220826.db2.gz WPSLSHNTCDAVID-MRXNPFEDSA-N 0 0 318.367 3.159 20 10 DGCDRN Cc1cc(Br)cc(CN2C[C@@H](F)C[C@H]2CF)c1O ZINC001233106827 1098228693 /nfs/dbraw/zinc/22/86/93/1098228693.db2.gz PMVYNEMDUAOOQA-RYUDHWBXSA-N 0 0 320.177 3.345 20 10 DGCDRN Oc1ccc2cc(Br)ccc2c1CN1CC(F)C1 ZINC001233194441 1098249757 /nfs/dbraw/zinc/24/97/57/1098249757.db2.gz UAHZQKWWFKHVHQ-UHFFFAOYSA-N 0 0 310.166 3.462 20 10 DGCDRN CCOC(=O)c1c(CN2CC3(CCC3)C2)c2ccccc2n1C ZINC001233270755 1098270020 /nfs/dbraw/zinc/27/00/20/1098270020.db2.gz ZLTLDUXKMUPUCS-UHFFFAOYSA-N 0 0 312.413 3.341 20 10 DGCDRN CCOC(=O)[C@@H]1CCCN1Cc1cc(C(C)(C)C)ccc1O ZINC001233286000 1098274307 /nfs/dbraw/zinc/27/43/07/1098274307.db2.gz AJRTYBIYTGDXKA-HNNXBMFYSA-N 0 0 305.418 3.217 20 10 DGCDRN CC(C)(C)c1ccc(O)c(CN2CC(F)(F)C[C@]2(C)CO)c1 ZINC001233284580 1098275004 /nfs/dbraw/zinc/27/50/04/1098275004.db2.gz ZTTVZCHTVXCVRB-MRXNPFEDSA-N 0 0 313.388 3.282 20 10 DGCDRN COc1cc(Cl)cc(CN2CCC(=O)[C@@H]3CCCC[C@@H]32)c1O ZINC001233287272 1098276613 /nfs/dbraw/zinc/27/66/13/1098276613.db2.gz FPIMMAJXRRRSNK-KGLIPLIRSA-N 0 0 323.820 3.388 20 10 DGCDRN COc1ccccc1CC[N@H+](C)Cc1c([O-])ccc(F)c1F ZINC001233335184 1098292525 /nfs/dbraw/zinc/29/25/25/1098292525.db2.gz KPDMSKJDBRNWBC-UHFFFAOYSA-N 0 0 307.340 3.354 20 10 DGCDRN Cc1ccnn1C1CC[NH+](Cc2c([O-])ccc(F)c2F)CC1 ZINC001233336256 1098294709 /nfs/dbraw/zinc/29/47/09/1098294709.db2.gz FOFXMGHQVGOBTR-UHFFFAOYSA-N 0 0 307.344 3.012 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CC[C@@]1(C)O ZINC001233415726 1098322130 /nfs/dbraw/zinc/32/21/30/1098322130.db2.gz GWVOGADFCMXJGU-IAQYHMDHSA-N 0 0 317.351 3.394 20 10 DGCDRN C[C@@]1(O)CCC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233415644 1098322304 /nfs/dbraw/zinc/32/23/04/1098322304.db2.gz DGHVVVDJZOGZKL-CQSZACIVSA-N 0 0 303.324 3.148 20 10 DGCDRN Cc1cc(C[N@H+](C)Cc2cccc(C(F)(F)F)c2[O-])n(C)n1 ZINC001233418084 1098323897 /nfs/dbraw/zinc/32/38/97/1098323897.db2.gz SMFUJUADHFEBPH-UHFFFAOYSA-N 0 0 313.323 3.085 20 10 DGCDRN [O-]c1c(C[NH+]2CC3(C2)C[C@@H](F)CS3)cccc1C(F)(F)F ZINC001233419319 1098325027 /nfs/dbraw/zinc/32/50/27/1098325027.db2.gz TVMYPBJSCXKWJP-SNVBAGLBSA-N 0 0 321.339 3.440 20 10 DGCDRN [O-]c1c(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)cccc1C(F)(F)F ZINC001233418395 1098325250 /nfs/dbraw/zinc/32/52/50/1098325250.db2.gz FRGHCPVJPSPVIA-VWUVDNNOSA-N 0 0 313.319 3.020 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)cccc1C(F)(F)F ZINC001233419360 1098325788 /nfs/dbraw/zinc/32/57/88/1098325788.db2.gz VCPPWGXCYMWKNO-ZWNOBZJWSA-N 0 0 301.308 3.022 20 10 DGCDRN CC1(C)CN(Cc2ccc(C(F)(F)F)cc2O)CCC1=O ZINC001233454610 1098341743 /nfs/dbraw/zinc/34/17/43/1098341743.db2.gz BVJZXSBLFOCTPA-UHFFFAOYSA-N 0 0 301.308 3.212 20 10 DGCDRN Cc1ncc(Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cn1 ZINC001176394897 1098344932 /nfs/dbraw/zinc/34/49/32/1098344932.db2.gz CARFBBVEYNMXBH-UHFFFAOYSA-N 0 0 315.332 3.304 20 10 DGCDRN Oc1cc(O)c(CN2CCc3c(Cl)cccc3C2)cc1O ZINC001233486454 1098348034 /nfs/dbraw/zinc/34/80/34/1098348034.db2.gz NQJGAPDNYIJEKP-UHFFFAOYSA-N 0 0 305.761 3.015 20 10 DGCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@@H](CCC)CC(=O)OC ZINC001233497769 1098351805 /nfs/dbraw/zinc/35/18/05/1098351805.db2.gz RKGIRPZGTUXEBO-NSHDSACASA-N 0 0 324.373 3.191 20 10 DGCDRN CCCC(=O)c1cc(O)c(O)cc1OCCOC1CCCC1 ZINC001233499498 1098352769 /nfs/dbraw/zinc/35/27/69/1098352769.db2.gz ZLXXTBFWPSEOKT-UHFFFAOYSA-N 0 0 308.374 3.419 20 10 DGCDRN CCN1CCc2cc(O[C@@H]3CCC[C@@H](C(=O)OC)C3)ccc21 ZINC001233601018 1098386349 /nfs/dbraw/zinc/38/63/49/1098386349.db2.gz FJFFCSQPSNXUKO-HUUCEWRRSA-N 0 0 303.402 3.180 20 10 DGCDRN CC1(C)CN(Cc2cccc(OC(F)(F)F)c2O)CCC1=O ZINC001233761396 1098425085 /nfs/dbraw/zinc/42/50/85/1098425085.db2.gz UYXLSIJTCGBFCH-UHFFFAOYSA-N 0 0 317.307 3.092 20 10 DGCDRN COc1c(OC2CC2)c(C)cc2c1C(=O)c1c(O)cccc1C2=O ZINC001234131234 1098501162 /nfs/dbraw/zinc/50/11/62/1098501162.db2.gz MYVVSXLEVRAAHU-UHFFFAOYSA-N 0 0 324.332 3.026 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC001177548264 1098554504 /nfs/dbraw/zinc/55/45/04/1098554504.db2.gz CTIIMDGUDZMXPO-CQSZACIVSA-N 0 0 313.731 3.147 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1ccnc(OCC2CC2)c1 ZINC001177674120 1098575335 /nfs/dbraw/zinc/57/53/35/1098575335.db2.gz MLWAOYAKNGFWQV-UHFFFAOYSA-N 0 0 320.339 3.144 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCc2cccc3cccnc32)c1 ZINC001177679462 1098576621 /nfs/dbraw/zinc/57/66/21/1098576621.db2.gz PVQMQDUSBDRROD-UHFFFAOYSA-N 0 0 323.352 3.181 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@](C)(O)[C@H](C)C3)c2c1 ZINC001234526247 1098580018 /nfs/dbraw/zinc/58/00/18/1098580018.db2.gz RMXBERSNCNWRHF-BFUOFWGJSA-N 0 0 315.413 3.147 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@H]1CCSc2ccccc21 ZINC001178413082 1098828368 /nfs/dbraw/zinc/82/83/68/1098828368.db2.gz NKTWOFMJSQUIHO-LBPRGKRZSA-N 0 0 317.385 3.427 20 10 DGCDRN O=C(NCc1c(O)cccc1O)C1(c2ccccc2)CCCC1 ZINC001178905692 1098967690 /nfs/dbraw/zinc/96/76/90/1098967690.db2.gz QQVYNAMDVCEUTO-UHFFFAOYSA-N 0 0 311.381 3.226 20 10 DGCDRN C[C@H](Cc1ccccc1Cl)C(=O)NCc1c(O)cccc1O ZINC001178912921 1098970842 /nfs/dbraw/zinc/97/08/42/1098970842.db2.gz ZGOZZDXWKCELKT-LLVKDONJSA-N 0 0 319.788 3.246 20 10 DGCDRN Cn1nc(C(=O)NCc2c(O)ccc3ccccc32)cc1C1CC1 ZINC001179029027 1099005166 /nfs/dbraw/zinc/00/51/66/1099005166.db2.gz HJRWZHYCYBEWKG-UHFFFAOYSA-N 0 0 321.380 3.086 20 10 DGCDRN CCCCC[C@H](O)C(=O)NCc1c(O)ccc2ccccc21 ZINC001179033553 1099006244 /nfs/dbraw/zinc/00/62/44/1099006244.db2.gz YFXGVNDECKHODN-KRWDZBQOSA-N 0 0 301.386 3.103 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1c(F)ccnc1F ZINC001179032866 1099006856 /nfs/dbraw/zinc/00/68/56/1099006856.db2.gz PIVJZUAACRBSTN-UHFFFAOYSA-N 0 0 314.291 3.149 20 10 DGCDRN Nc1ccc(F)cc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001179037206 1099008598 /nfs/dbraw/zinc/00/85/98/1099008598.db2.gz RIOULMCURKVVKR-UHFFFAOYSA-N 0 0 310.328 3.197 20 10 DGCDRN Cc1oc(NC(=O)c2ccc(N=NC(N)=O)cc2)nc1C1CC1 ZINC001179412543 1099099903 /nfs/dbraw/zinc/09/99/03/1099099903.db2.gz BDAGVQVARXZWGI-UHFFFAOYSA-N 0 0 313.317 3.275 20 10 DGCDRN Cn1c2cc(F)ccc2nc1NCc1cc(F)cc(F)c1O ZINC001179811466 1099210609 /nfs/dbraw/zinc/21/06/09/1099210609.db2.gz WLIXGBAQCQEDOQ-UHFFFAOYSA-N 0 0 307.275 3.308 20 10 DGCDRN COC(=O)c1ccc(C[N@H+](C)Cc2cc(F)c(F)cc2[O-])cc1 ZINC001180035009 1099287929 /nfs/dbraw/zinc/28/79/29/1099287929.db2.gz PIURPVDACUCBNG-UHFFFAOYSA-N 0 0 321.323 3.089 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)N2CC[C@](C)(F)[C@H](F)C2)cc1 ZINC001180122887 1099322081 /nfs/dbraw/zinc/32/20/81/1099322081.db2.gz INWZMBVTBOBLGX-QDTKCAEZSA-N 0 0 308.372 3.064 20 10 DGCDRN COc1c(O)cccc1NC(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180128085 1099323543 /nfs/dbraw/zinc/32/35/43/1099323543.db2.gz ALXNHCVFBKRNKU-FMIVXFBMSA-N 0 0 312.369 3.119 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@]1(C)CCCO1 ZINC001180476900 1099418361 /nfs/dbraw/zinc/41/83/61/1099418361.db2.gz BBSNLSYFFJAZCU-VQIMIIECSA-N 0 0 317.429 3.318 20 10 DGCDRN Cc1ccccc1O[C@H](C)C(=O)N1CCc2cccc(O)c2C1 ZINC001180520016 1099436598 /nfs/dbraw/zinc/43/65/98/1099436598.db2.gz DFHMCUPEIVZVAY-CQSZACIVSA-N 0 0 311.381 3.053 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236216063 1099472064 /nfs/dbraw/zinc/47/20/64/1099472064.db2.gz HUCJMXPKGBRJHV-ZDUSSCGKSA-N 0 0 315.244 3.415 20 10 DGCDRN CC(=O)[C@@H]1CCCN1Cc1cc(C)cc(Br)c1O ZINC001236669056 1099734104 /nfs/dbraw/zinc/73/41/04/1099734104.db2.gz GBDLALOVRDVTSN-ZDUSSCGKSA-N 0 0 312.207 3.017 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c1 ZINC001236670125 1099735871 /nfs/dbraw/zinc/73/58/71/1099735871.db2.gz UPGDYJJROGVPST-GAFUQQFSSA-N 0 0 314.198 3.395 20 10 DGCDRN CC[C@H](C)[N@H+](C)Cc1cc(OC)c(Br)cc1O ZINC001236744678 1099766984 /nfs/dbraw/zinc/76/69/84/1099766984.db2.gz AUOBGBOPXBTNMA-VIFPVBQESA-N 0 0 302.212 3.394 20 10 DGCDRN COC[C@@H]1CC[N@@H+]1Cc1cc(OCc2ccccc2)ccc1O ZINC001236782049 1099780812 /nfs/dbraw/zinc/78/08/12/1099780812.db2.gz IHYWAICAYITASJ-KRWDZBQOSA-N 0 0 313.397 3.192 20 10 DGCDRN CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(CC)cc1O)C2 ZINC001236788152 1099785484 /nfs/dbraw/zinc/78/54/84/1099785484.db2.gz SFWLEEABPOVRNZ-PKOBYXMFSA-N 0 0 319.445 3.115 20 10 DGCDRN CCN(Cc1cc(OCc2ccccc2)ccc1O)C1COC1 ZINC001236790669 1099787434 /nfs/dbraw/zinc/78/74/34/1099787434.db2.gz ZJHJCMPCYNODNT-UHFFFAOYSA-N 0 0 313.397 3.192 20 10 DGCDRN Oc1ccc(OCc2ccccc2)cc1CN1CC(F)(F)C1 ZINC001236793145 1099788572 /nfs/dbraw/zinc/78/85/72/1099788572.db2.gz RQHQIMGRFOCCDO-UHFFFAOYSA-N 0 0 305.324 3.422 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])C[C@@]1(C)O ZINC001236792029 1099788995 /nfs/dbraw/zinc/78/89/95/1099788995.db2.gz AKIGPRQDPCLQOS-YMTOWFKASA-N 0 0 304.217 3.292 20 10 DGCDRN CCOC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236797052 1099789919 /nfs/dbraw/zinc/78/99/19/1099789919.db2.gz UAGHXZNPYMXCTC-VIFPVBQESA-N 0 0 318.200 3.084 20 10 DGCDRN [O-]c1cc(Cl)c(Cl)cc1C[N@H+]1CCC[C@](O)(CF)CC1 ZINC001236794494 1099790149 /nfs/dbraw/zinc/79/01/49/1099790149.db2.gz SFFGYKSWBRAODA-CQSZACIVSA-N 0 0 322.207 3.386 20 10 DGCDRN COc1cc(O)c(CN2CCOc3ccccc3C2)c(Cl)c1 ZINC001236800383 1099793107 /nfs/dbraw/zinc/79/31/07/1099793107.db2.gz VZNARDGUGUDOIM-UHFFFAOYSA-N 0 0 319.788 3.449 20 10 DGCDRN COc1ccc(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)c([O-])c1Cl ZINC001236802240 1099796857 /nfs/dbraw/zinc/79/68/57/1099796857.db2.gz PXIODCLSMGPLNB-ZJUUUORDSA-N 0 0 303.736 3.141 20 10 DGCDRN COc1ccc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c([O-])c1Cl ZINC001236802307 1099797058 /nfs/dbraw/zinc/79/70/58/1099797058.db2.gz SGINBOPVIJSBOA-MRXNPFEDSA-N 0 0 311.809 3.057 20 10 DGCDRN COc1cc(C)c(C[N@H+](C2CCC2)C2CCOCC2)c(O)c1 ZINC001236815434 1099804065 /nfs/dbraw/zinc/80/40/65/1099804065.db2.gz LLRMOBNXYXYYGJ-UHFFFAOYSA-N 0 0 305.418 3.243 20 10 DGCDRN COc1ccc(CN2CCC[C@@H]2C[NH+]2CCCC2)c([O-])c1Cl ZINC001236812499 1099804194 /nfs/dbraw/zinc/80/41/94/1099804194.db2.gz XZJGUNAEUSHRRF-CQSZACIVSA-N 0 0 324.852 3.114 20 10 DGCDRN COc1ccc(CN2CC[N@H+](C)CC23CCCC3)c([O-])c1Cl ZINC001236818588 1099806419 /nfs/dbraw/zinc/80/64/19/1099806419.db2.gz OWGSRYFIRIAYSH-UHFFFAOYSA-N 0 0 324.852 3.114 20 10 DGCDRN Oc1cc2ccccc2cc1CN1CCn2c(nnc2C2CC2)C1 ZINC001236840018 1099826495 /nfs/dbraw/zinc/82/64/95/1099826495.db2.gz HFAXADAAYWKWNN-UHFFFAOYSA-N 0 0 320.396 3.030 20 10 DGCDRN CCOc1ccc(CN2CC[C@H](CF)C(F)(F)C2)c(O)c1 ZINC001237050152 1099944921 /nfs/dbraw/zinc/94/49/21/1099944921.db2.gz QROFWUJTYQHFFM-GFCCVEGCSA-N 0 0 303.324 3.218 20 10 DGCDRN CCOC(=O)[C@]12C[C@H]1CCN2Cc1ccc(C(C)C)cc1O ZINC001237050541 1099945970 /nfs/dbraw/zinc/94/59/70/1099945970.db2.gz FQDGHVKXOZNFON-QAPCUYQASA-N 0 0 303.402 3.043 20 10 DGCDRN Oc1cc(OCC(F)(F)F)ccc1CN1CC(F)(C2CC2)C1 ZINC001237054062 1099948853 /nfs/dbraw/zinc/94/88/53/1099948853.db2.gz USAGYOFPMHLKCB-UHFFFAOYSA-N 0 0 319.298 3.267 20 10 DGCDRN [O-]c1ccc(Cl)c(Cl)c1C[NH+]1CCC2(CC1)OCCO2 ZINC001237079356 1099958558 /nfs/dbraw/zinc/95/85/58/1099958558.db2.gz KDSYFJNNWLOIBG-UHFFFAOYSA-N 0 0 318.200 3.038 20 10 DGCDRN O=C1C[C@H]2CC[C@@H](C1)N2Cc1c(O)ccc(Cl)c1Cl ZINC001237080612 1099958592 /nfs/dbraw/zinc/95/85/92/1099958592.db2.gz URWUOWLUTAIMEM-DTORHVGOSA-N 0 0 300.185 3.395 20 10 DGCDRN CC[N@H+](CCn1ccnc1)Cc1c([O-])ccc(Cl)c1Cl ZINC001237086844 1099963120 /nfs/dbraw/zinc/96/31/20/1099963120.db2.gz PEGDIBRVCPIRDZ-UHFFFAOYSA-N 0 0 314.216 3.418 20 10 DGCDRN COCCC1CC[NH+](Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237124238 1099984606 /nfs/dbraw/zinc/98/46/06/1099984606.db2.gz KYJOBAYPBDUNIV-UHFFFAOYSA-N 0 0 301.789 3.433 20 10 DGCDRN Oc1ccc(C(F)(F)F)cc1CN1CCc2ncccc2C1 ZINC001237139439 1099988276 /nfs/dbraw/zinc/98/82/76/1099988276.db2.gz FXVGYAFALNKUCF-UHFFFAOYSA-N 0 0 308.303 3.364 20 10 DGCDRN Oc1ccc(C(F)(F)F)cc1CN1Cc2ncsc2C1 ZINC001237143323 1099991631 /nfs/dbraw/zinc/99/16/31/1099991631.db2.gz KYCGTSYVJVNOCS-UHFFFAOYSA-N 0 0 300.305 3.383 20 10 DGCDRN COc1nc(Cl)ccc1CN1CCc2cccc(O)c2C1 ZINC001237254166 1100050606 /nfs/dbraw/zinc/05/06/06/1100050606.db2.gz ZWTRIGDFORUIBT-UHFFFAOYSA-N 0 0 304.777 3.008 20 10 DGCDRN CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])C1CCN(C)CC1 ZINC001237620059 1100189648 /nfs/dbraw/zinc/18/96/48/1100189648.db2.gz INWZGDVFURPCOH-UHFFFAOYSA-N 0 0 300.805 3.101 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1CN1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001237617680 1100189709 /nfs/dbraw/zinc/18/97/09/1100189709.db2.gz BVYXMNOXWKBQLG-UHFFFAOYSA-N 0 0 324.827 3.102 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC2(C[C@H]2CCO)CC1 ZINC001237618332 1100190330 /nfs/dbraw/zinc/19/03/30/1100190330.db2.gz YXYYEKHMFLDJQK-GFCCVEGCSA-N 0 0 313.800 3.169 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC2(C[C@H](F)CO2)CC1 ZINC001237621609 1100192411 /nfs/dbraw/zinc/19/24/11/1100192411.db2.gz CWSIAYVBHGEMBP-LBPRGKRZSA-N 0 0 317.763 3.278 20 10 DGCDRN CC(C)[N@H+](C)[C@H]1CCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237804979 1100252100 /nfs/dbraw/zinc/25/21/00/1100252100.db2.gz IYCPMDLMTIXQGM-ZDUSSCGKSA-N 0 0 300.805 3.099 20 10 DGCDRN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CC[C@@H](COCC2CC2)C1 ZINC001237806414 1100253397 /nfs/dbraw/zinc/25/33/97/1100253397.db2.gz VMGDQHTZORTUNW-GFCCVEGCSA-N 0 0 313.800 3.433 20 10 DGCDRN C[C@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2[O-])CC[C@]1(C)O ZINC001237935737 1100296842 /nfs/dbraw/zinc/29/68/42/1100296842.db2.gz YJLLZCIMYIEKBG-BONVTDFDSA-N 0 0 301.789 3.168 20 10 DGCDRN CC1(C)C[N@H+](Cc2cc(F)c(Cl)cc2[O-])[C@](C)(CO)C1 ZINC001237934250 1100297236 /nfs/dbraw/zinc/29/72/36/1100297236.db2.gz JTDJFOPIVIHNNF-HNNXBMFYSA-N 0 0 301.789 3.168 20 10 DGCDRN COCCC1CC[NH+](Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237935297 1100297505 /nfs/dbraw/zinc/29/75/05/1100297505.db2.gz BZPWCVTWFIMQKS-UHFFFAOYSA-N 0 0 301.789 3.433 20 10 DGCDRN COc1c(CN2CCc3cccc(O)c3C2)ccc(F)c1F ZINC001238469848 1100452358 /nfs/dbraw/zinc/45/23/58/1100452358.db2.gz QSTVKNNHNDVZFH-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN CCN(Cc1ccccc1O)Cc1ncc(OC)cc1Cl ZINC001238488646 1100456360 /nfs/dbraw/zinc/45/63/60/1100456360.db2.gz BMIKRQHDLVDPDH-UHFFFAOYSA-N 0 0 306.793 3.471 20 10 DGCDRN Cc1cc(NC(=O)NCCc2ccc(O)c(O)c2)ccc1Cl ZINC001191775899 1100510335 /nfs/dbraw/zinc/51/03/35/1100510335.db2.gz FJHFKZJELAACNN-UHFFFAOYSA-N 0 0 320.776 3.424 20 10 DGCDRN CCOc1cc(CN(C)Cc2ccc(N(C)C)cc2)c(F)cn1 ZINC001238734001 1100515434 /nfs/dbraw/zinc/51/54/34/1100515434.db2.gz HGDWVPLXLGBCRM-UHFFFAOYSA-N 0 0 317.408 3.317 20 10 DGCDRN Cn1c(=O)ccc2ccc(-c3cc4ccccc4[nH]c3=O)cc21 ZINC001238883614 1100551534 /nfs/dbraw/zinc/55/15/34/1100551534.db2.gz ITQYFVUFHYBMAK-UHFFFAOYSA-N 0 0 302.333 3.459 20 10 DGCDRN COc1cccc([C@H](C)NC(=O)NCc2cccc(C)c2O)c1 ZINC001192908731 1100676217 /nfs/dbraw/zinc/67/62/17/1100676217.db2.gz XFYDRZXCVAZTTF-ZDUSSCGKSA-N 0 0 314.385 3.270 20 10 DGCDRN COC(=O)c1cc2ccc(-c3cnc(OC)c(F)c3)cc2n1C ZINC001239511208 1100679930 /nfs/dbraw/zinc/67/99/30/1100679930.db2.gz AINWCLOQFHOAMH-UHFFFAOYSA-N 0 0 314.316 3.175 20 10 DGCDRN COc1cc(C(=O)N2CCC(C(C)(C)C)CC2)cc(O)c1O ZINC001193081425 1100700386 /nfs/dbraw/zinc/70/03/86/1100700386.db2.gz LQJCWSULBDLITD-UHFFFAOYSA-N 0 0 307.390 3.005 20 10 DGCDRN COc1cc(C(=O)N[C@@H]2C[C@@H](C)c3ccccc32)cc(O)c1O ZINC001193113750 1100708401 /nfs/dbraw/zinc/70/84/01/1100708401.db2.gz AVSQIYAEWRSTMX-QMTHXVAHSA-N 0 0 313.353 3.085 20 10 DGCDRN O=C(NCc1ccc2c(c1)CCC2)c1ccc(O)c(O)c1Cl ZINC001193208989 1100717399 /nfs/dbraw/zinc/71/73/99/1100717399.db2.gz DNAZITBJRXZYFE-UHFFFAOYSA-N 0 0 317.772 3.170 20 10 DGCDRN O=C(Nc1cccc2c1COC2)c1ccc(O)c(O)c1Cl ZINC001193229816 1100722610 /nfs/dbraw/zinc/72/26/10/1100722610.db2.gz NYXDGTCJMDSQKI-UHFFFAOYSA-N 0 0 305.717 3.034 20 10 DGCDRN Nc1ccc(-c2ncnc3c2ccn3Cc2ccccc2)c(F)n1 ZINC001239815037 1100764647 /nfs/dbraw/zinc/76/46/47/1100764647.db2.gz SQOIJPKAHUMVNM-UHFFFAOYSA-N 0 0 319.343 3.263 20 10 DGCDRN COc1ncccc1-c1ccn(Cc2ccc(F)cc2)c(=O)c1 ZINC001239859887 1100777634 /nfs/dbraw/zinc/77/76/34/1100777634.db2.gz BAGMCYDJFDTXRA-UHFFFAOYSA-N 0 0 310.328 3.106 20 10 DGCDRN CCCn1cc(-c2ccn(Cc3cccc(F)c3)c(=O)c2)cn1 ZINC001240134259 1100875820 /nfs/dbraw/zinc/87/58/20/1100875820.db2.gz NNGFHTRIZDYXBG-UHFFFAOYSA-N 0 0 311.360 3.309 20 10 DGCDRN Cc1ccc(-c2ncnc3c2ccn3COC(=O)C(C)(C)C)cn1 ZINC001240221384 1100901181 /nfs/dbraw/zinc/90/11/81/1100901181.db2.gz ROMQYMWWRFTHOF-UHFFFAOYSA-N 0 0 324.384 3.349 20 10 DGCDRN Cc1c(C)n(Cc2ccco2)c2ncnc(-c3cnn(C)c3C)c12 ZINC001240380460 1100967053 /nfs/dbraw/zinc/96/70/53/1100967053.db2.gz OIYDPEKTFTWWNP-UHFFFAOYSA-N 0 0 321.384 3.398 20 10 DGCDRN CCC(CC)COC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001194714309 1100998866 /nfs/dbraw/zinc/99/88/66/1100998866.db2.gz CNKASXQHKSMZBM-UHFFFAOYSA-N 0 0 320.433 3.186 20 10 DGCDRN CCOc1ncccc1-c1ccn(Cc2ccc(F)cc2)c(=O)c1 ZINC001240496942 1101021837 /nfs/dbraw/zinc/02/18/37/1101021837.db2.gz GYFVBYUFCYCMNS-UHFFFAOYSA-N 0 0 324.355 3.496 20 10 DGCDRN c1nn(CC2CC2)cc1-c1cc(N2CCc3ccccc32)ncn1 ZINC001240511590 1101029355 /nfs/dbraw/zinc/02/93/55/1101029355.db2.gz JCVDXRNONZNDSG-UHFFFAOYSA-N 0 0 317.396 3.444 20 10 DGCDRN CCn1ccc(-c2cnc(Cl)n2[C@@H]2CCCCO2)cc1=O ZINC001240551486 1101045415 /nfs/dbraw/zinc/04/54/15/1101045415.db2.gz HMLLFSDZXWJTFZ-AWEZNQCLSA-N 0 0 307.781 3.084 20 10 DGCDRN CC[C@@H](C)OC(=O)N1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001195104881 1101083046 /nfs/dbraw/zinc/08/30/46/1101083046.db2.gz NYOWZBQAJJBVLY-GFCCVEGCSA-N 0 0 316.401 3.480 20 10 DGCDRN CC[C@@H](C)OC(=O)NCc1ccc(Br)cc1O ZINC001195149977 1101086691 /nfs/dbraw/zinc/08/66/91/1101086691.db2.gz DMKGXMSLNAOZAI-MRVPVSSYSA-N 0 0 302.168 3.179 20 10 DGCDRN COc1cccnc1CNC(=S)Nc1cc(F)ccc1C ZINC001195932477 1101223894 /nfs/dbraw/zinc/22/38/94/1101223894.db2.gz VFIDJZBBAVHMQC-UHFFFAOYSA-N 0 0 305.378 3.024 20 10 DGCDRN Cc1cc(-c2nc3ccccc3n2C)c(-c2ccc[nH]c2=O)nn1 ZINC001241107557 1101256851 /nfs/dbraw/zinc/25/68/51/1101256851.db2.gz XGMMPBONSANPAG-UHFFFAOYSA-N 0 0 317.352 3.106 20 10 DGCDRN O=c1[nH]cccc1-c1ncnc2c1ccn2Cc1ccc(F)cc1 ZINC001241106701 1101256956 /nfs/dbraw/zinc/25/69/56/1101256956.db2.gz ORIFFPBCGITAHJ-UHFFFAOYSA-N 0 0 320.327 3.386 20 10 DGCDRN COc1ncc(C)cc1-c1ccn(Cc2ccc(F)cc2)c(=O)c1 ZINC001241366814 1101407532 /nfs/dbraw/zinc/40/75/32/1101407532.db2.gz VVGVLVSIIZHQRM-UHFFFAOYSA-N 0 0 324.355 3.415 20 10 DGCDRN Oc1cccc(CNC(=S)Nc2ccc(Cl)cc2)c1O ZINC001197354255 1101537787 /nfs/dbraw/zinc/53/77/87/1101537787.db2.gz KCEGDCZNGKHUHI-UHFFFAOYSA-N 0 0 308.790 3.238 20 10 DGCDRN Cn1ccc2c1nccc2-c1ccc(OC2CCOCC2)nc1 ZINC001241700124 1101644842 /nfs/dbraw/zinc/64/48/42/1101644842.db2.gz FXGQETLLACWOFY-UHFFFAOYSA-N 0 0 309.369 3.193 20 10 DGCDRN O=c1cc(-c2cnn(-c3ccccc3)c2)ccn1CC(F)(F)F ZINC001241757008 1101687277 /nfs/dbraw/zinc/68/72/77/1101687277.db2.gz BRDXHFDAZCIPBF-UHFFFAOYSA-N 0 0 319.286 3.263 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2cc(F)cc(N(C)C)c2)c(O)c1 ZINC001198137943 1101759975 /nfs/dbraw/zinc/75/99/75/1101759975.db2.gz MJRWMLJCFGGYSA-UHFFFAOYSA-N 0 0 316.376 3.144 20 10 DGCDRN O=c1ccc(-c2ncnc3c2ccn3Cc2cccc(F)c2)c[nH]1 ZINC001242061189 1101887439 /nfs/dbraw/zinc/88/74/39/1101887439.db2.gz RENDWVCBRCTJOK-UHFFFAOYSA-N 0 0 320.327 3.386 20 10 DGCDRN Cc1c(C)n(Cc2ccco2)c2ncnc(-c3ccc(=O)[nH]c3)c12 ZINC001242062396 1101888351 /nfs/dbraw/zinc/88/83/51/1101888351.db2.gz KWQQNKRIVYBYMK-UHFFFAOYSA-N 0 0 320.352 3.457 20 10 DGCDRN CCOc1cccc(CNC(=S)Nc2cccc(C)c2)n1 ZINC001198711830 1101970045 /nfs/dbraw/zinc/97/00/45/1101970045.db2.gz YCKGYZLZRIMJEQ-UHFFFAOYSA-N 0 0 301.415 3.275 20 10 DGCDRN O=S(=O)(Nc1ccc(O)cc1F)c1ccc2occc2c1 ZINC001198857383 1102004692 /nfs/dbraw/zinc/00/46/92/1102004692.db2.gz YCRQEIIMTBVXPQ-UHFFFAOYSA-N 0 0 307.302 3.078 20 10 DGCDRN C[C@H](NS(=O)(=O)c1ccc2occc2c1)c1ccccc1O ZINC001198883666 1102021916 /nfs/dbraw/zinc/02/19/16/1102021916.db2.gz ZZUJQKJFFNJXSC-NSHDSACASA-N 0 0 317.366 3.178 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2cccc(OC(C)C)n2)c(O)c1 ZINC001199046071 1102053969 /nfs/dbraw/zinc/05/39/69/1102053969.db2.gz KBISRMWBBAPQTL-UHFFFAOYSA-N 0 0 314.385 3.121 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2ccc3c(c2)CCNC3=O)cn1 ZINC001242325211 1102055265 /nfs/dbraw/zinc/05/52/65/1102055265.db2.gz YNTPCPAQJLFSOJ-UHFFFAOYSA-N 0 0 317.392 3.442 20 10 DGCDRN CCCN(CCC)c1ccc(CNCc2nncn2CC)cc1 ZINC001199328572 1102115622 /nfs/dbraw/zinc/11/56/22/1102115622.db2.gz BQQBFLJYTAAGJN-UHFFFAOYSA-N 0 0 315.465 3.214 20 10 DGCDRN Cc1oncc1-c1nnc(C)cc1-c1nc2ccccc2n1C ZINC001242600277 1102236031 /nfs/dbraw/zinc/23/60/31/1102236031.db2.gz CWJIBUVJGHXBNX-UHFFFAOYSA-N 0 0 305.341 3.302 20 10 DGCDRN Cn1c(=O)ccc2ccc(-c3cccnc3OC(F)F)cc21 ZINC001242630963 1102253637 /nfs/dbraw/zinc/25/36/37/1102253637.db2.gz AUDLFAWERJCWKT-UHFFFAOYSA-N 0 0 302.280 3.202 20 10 DGCDRN CCOc1cncc(-c2ccc3cc(C(=O)OC)n(C)c3c2)c1 ZINC001242657206 1102267138 /nfs/dbraw/zinc/26/71/38/1102267138.db2.gz KJVXZIOZSKLXKR-UHFFFAOYSA-N 0 0 310.353 3.426 20 10 DGCDRN COC(=O)c1ncc(-c2ccc(-n3c(C)ccc3C)cc2)cn1 ZINC001243010833 1102470425 /nfs/dbraw/zinc/47/04/25/1102470425.db2.gz UOCKUIWZJGQGQN-UHFFFAOYSA-N 0 0 307.353 3.338 20 10 DGCDRN Cc1cc(NC(=S)NCc2ncc(F)cc2F)ccc1F ZINC001201045441 1102482653 /nfs/dbraw/zinc/48/26/53/1102482653.db2.gz ZQYJQTZMMGGLEM-UHFFFAOYSA-N 0 0 311.332 3.294 20 10 DGCDRN Oc1cccc(CNC(=S)Nc2cccc(Cl)c2)c1O ZINC001201110751 1102488621 /nfs/dbraw/zinc/48/86/21/1102488621.db2.gz IVILUAJKDUIUFN-UHFFFAOYSA-N 0 0 308.790 3.238 20 10 DGCDRN CN(C)c1ccc(/C=C\CNc2ccc(-n3cncn3)cc2)cc1 ZINC001201141001 1102498825 /nfs/dbraw/zinc/49/88/25/1102498825.db2.gz STYIOLUCOUDWHI-ARJAWSKDSA-N 0 0 319.412 3.459 20 10 DGCDRN CSc1ccc(NC(=S)NCc2cc(F)ccn2)cc1 ZINC001201193564 1102515428 /nfs/dbraw/zinc/51/54/28/1102515428.db2.gz SSKQCMOKROQVBD-UHFFFAOYSA-N 0 0 307.419 3.429 20 10 DGCDRN COCCn1ccc2c1ncnc2-c1cnc(SC)c(C)c1 ZINC001243135308 1102545887 /nfs/dbraw/zinc/54/58/87/1102545887.db2.gz ACBFYQXFZZGADE-UHFFFAOYSA-N 0 0 314.414 3.170 20 10 DGCDRN CCOc1ccc(-c2cc(=O)n(C)c3ccccc23)c(OCC)n1 ZINC001243155194 1102559009 /nfs/dbraw/zinc/55/90/09/1102559009.db2.gz GWPVRGAFVOSFDM-UHFFFAOYSA-N 0 0 324.380 3.398 20 10 DGCDRN O=C1c2ccccc2C(=O)c2cc(Nc3cncc(O)c3)ccc21 ZINC001201635752 1102667234 /nfs/dbraw/zinc/66/72/34/1102667234.db2.gz ISWJITNLZBAFHG-UHFFFAOYSA-N 0 0 316.316 3.306 20 10 DGCDRN Nc1ccc(OC(=O)c2ccc(Nc3cncc(O)c3)cc2)cc1 ZINC001201641205 1102682652 /nfs/dbraw/zinc/68/26/52/1102682652.db2.gz CBVDAIFDPNUWCY-UHFFFAOYSA-N 0 0 321.336 3.332 20 10 DGCDRN CC(C)(C)CC[C@@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001202160649 1102865623 /nfs/dbraw/zinc/86/56/23/1102865623.db2.gz YGNXMAFQSJQZFV-LBPRGKRZSA-N 0 0 303.805 3.462 20 10 DGCDRN COc1ccc(NC(=O)NCc2c(C)cc(C)cc2O)cc1 ZINC001202404497 1102970454 /nfs/dbraw/zinc/97/04/54/1102970454.db2.gz ZTLYIEWWVMIVGF-UHFFFAOYSA-N 0 0 300.358 3.339 20 10 DGCDRN CCOc1ncc(-c2ccn(Cc3ccccc3)c(=O)c2)cc1F ZINC001243777449 1102973421 /nfs/dbraw/zinc/97/34/21/1102973421.db2.gz VPKKTEXLSNPPPR-UHFFFAOYSA-N 0 0 324.355 3.496 20 10 DGCDRN Fc1ccc(Cn2ccc3c2ncnc3C2=CNCCC2)cc1 ZINC001243949446 1103075610 /nfs/dbraw/zinc/07/56/10/1103075610.db2.gz LQEMBWZXVKZHGB-UHFFFAOYSA-N 0 0 308.360 3.343 20 10 DGCDRN Oc1ccc(Cl)cc1CN1CCO[C@@H](C(F)(F)F)CC1 ZINC000687289370 1103092382 /nfs/dbraw/zinc/09/23/82/1103092382.db2.gz SAEQVYGQVDMKBQ-GFCCVEGCSA-N 0 0 309.715 3.199 20 10 DGCDRN Fc1ccccc1Cn1ccc2c1ncnc2C1=CNCCC1 ZINC001243949479 1103077487 /nfs/dbraw/zinc/07/74/87/1103077487.db2.gz NDCCZLSMBBBCTA-UHFFFAOYSA-N 0 0 308.360 3.343 20 10 DGCDRN CO[C@H]1CC[C@@H](C)[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000687217328 1103083744 /nfs/dbraw/zinc/08/37/44/1103083744.db2.gz RHTGBGQYNYEDIA-PWSUYJOCSA-N 0 0 314.223 3.154 20 10 DGCDRN COC(=O)c1cnc(-c2cnccc2C2CC2)c2ccn(C)c21 ZINC001244276014 1103329426 /nfs/dbraw/zinc/32/94/26/1103329426.db2.gz AJYHNYSMYSWGAA-UHFFFAOYSA-N 0 0 307.353 3.299 20 10 DGCDRN CCn1cc(Nc2ccccc2C(=O)c2ccncc2)ccc1=O ZINC001212917624 1103354581 /nfs/dbraw/zinc/35/45/81/1103354581.db2.gz TZBMSOAMKMLNIH-UHFFFAOYSA-N 0 0 319.364 3.238 20 10 DGCDRN CCCOc1cc(N(CCO)c2ccc(N)cc2)c(Cl)cn1 ZINC001214734502 1103372018 /nfs/dbraw/zinc/37/20/18/1103372018.db2.gz SVYAUCGJMBEOAM-UHFFFAOYSA-N 0 0 321.808 3.236 20 10 DGCDRN Nc1ccc(F)cc1-c1ccn(Cc2ccc(F)cc2)c(=O)c1 ZINC001244400484 1103410271 /nfs/dbraw/zinc/41/02/71/1103410271.db2.gz KAORKWCYOAPCGO-UHFFFAOYSA-N 0 0 312.319 3.424 20 10 DGCDRN CCN1CCN(C(=O)/C(C)=C/c2cccnc2)c2ccccc21 ZINC001326767265 1103434535 /nfs/dbraw/zinc/43/45/35/1103434535.db2.gz BWVYONIIIKUAFI-FYWRMAATSA-N 0 0 307.397 3.358 20 10 DGCDRN Cc1cnc(C)nc1NCc1ccc(N2CCSCC2)cc1 ZINC001327181732 1103572118 /nfs/dbraw/zinc/57/21/18/1103572118.db2.gz HCZBHZCRCYAZKI-UHFFFAOYSA-N 0 0 314.458 3.259 20 10 DGCDRN FC(F)(F)c1nnc(NCc2ccc(N3CCCC3)cc2)o1 ZINC001327599744 1103690034 /nfs/dbraw/zinc/69/00/34/1103690034.db2.gz BHLHHZRSOFQHKM-UHFFFAOYSA-N 0 0 312.295 3.301 20 10 DGCDRN CSc1ncc(C)cc1-c1ccn(Cc2ccccn2)c(=O)c1 ZINC001244885069 1103742156 /nfs/dbraw/zinc/74/21/56/1103742156.db2.gz NIKOXLUYGGERTE-UHFFFAOYSA-N 0 0 323.421 3.384 20 10 DGCDRN O=c1cc(-c2cnc(Br)s2)ccn1CC1CC1 ZINC001244908289 1103754806 /nfs/dbraw/zinc/75/48/06/1103754806.db2.gz VQXOVYJQTCBFAW-UHFFFAOYSA-N 0 0 311.204 3.144 20 10 DGCDRN CN1CCCc2cc(CNc3ncnc4scnc43)ccc21 ZINC001328491771 1103966784 /nfs/dbraw/zinc/96/67/84/1103966784.db2.gz MQRQVIIVDXZRAI-UHFFFAOYSA-N 0 0 311.414 3.081 20 10 DGCDRN CCOC(=O)[C@H](C)n1cc(-c2cccc3c2cc(C)n3C)cn1 ZINC001245337564 1103992033 /nfs/dbraw/zinc/99/20/33/1103992033.db2.gz MLQKNXKXHGBPEN-ZDUSSCGKSA-N 0 0 311.385 3.474 20 10 DGCDRN Cc1cncc(NC(=O)c2cc3cc(O)c(O)cc3s2)c1 ZINC001137144299 1104010017 /nfs/dbraw/zinc/01/00/17/1104010017.db2.gz QLEPRZYHAREFGR-UHFFFAOYSA-N 0 0 300.339 3.268 20 10 DGCDRN CCN(CC)C(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC001328757735 1104057053 /nfs/dbraw/zinc/05/70/53/1104057053.db2.gz PMPKXQSQHGZHCP-UHFFFAOYSA-N 0 0 312.413 3.318 20 10 DGCDRN COC(=O)c1ccccc1NC(=O)N[C@@H](C)c1ccccc1O ZINC001202688705 1104119656 /nfs/dbraw/zinc/11/96/56/1104119656.db2.gz SIFYOIBILWXUTR-NSHDSACASA-N 0 0 314.341 3.062 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CC1(C(F)(F)F)CC1 ZINC001329030853 1104131301 /nfs/dbraw/zinc/13/13/01/1104131301.db2.gz OASPCCQTGZDURM-UHFFFAOYSA-N 0 0 314.351 3.410 20 10 DGCDRN O=C(NCCCSc1nccs1)N[C@@H]1CCC[C@@H](F)C1 ZINC001329253950 1104201008 /nfs/dbraw/zinc/20/10/08/1104201008.db2.gz QDKIZMKPASCYHK-GHMZBOCLSA-N 0 0 317.455 3.205 20 10 DGCDRN COCCn1ccc2c1ncnc2-c1ccc(Cl)nc1C ZINC001245768788 1104228912 /nfs/dbraw/zinc/22/89/12/1104228912.db2.gz QWEXHOILQGIOSS-UHFFFAOYSA-N 0 0 302.765 3.102 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CCCC(F)(F)CC2)cc1OC ZINC001329758027 1104380959 /nfs/dbraw/zinc/38/09/59/1104380959.db2.gz CJCADGWIKBURJZ-UHFFFAOYSA-N 0 0 316.304 3.238 20 10 DGCDRN CCCCN1CC[C@@]2(CCN(c3ccc(OC)c(F)c3)C2)C1=O ZINC001274861480 1104523262 /nfs/dbraw/zinc/52/32/62/1104523262.db2.gz KCIIAPUCFLSICB-SFHVURJKSA-N 0 0 320.408 3.063 20 10 DGCDRN Cc1cc(C)cc(CCNC(=O)N2Cc3cccc(O)c3C2)c1 ZINC001330277200 1104528125 /nfs/dbraw/zinc/52/81/25/1104528125.db2.gz IDVIREBUWPXNHH-UHFFFAOYSA-N 0 0 310.397 3.277 20 10 DGCDRN CC[C@H](C)N1CC[C@@]2(CCCN2c2ccc(OC)cc2C)C1=O ZINC001274875448 1104528182 /nfs/dbraw/zinc/52/81/82/1104528182.db2.gz WEICTWQUGMITSU-KXBFYZLASA-N 0 0 316.445 3.373 20 10 DGCDRN Cc1cc(CN2Cc3ccc([N+](=O)[O-])cc3C2)ccc1N(C)C ZINC001330326255 1104539241 /nfs/dbraw/zinc/53/92/41/1104539241.db2.gz CNRSFTTWJRAWSH-UHFFFAOYSA-N 0 0 311.385 3.485 20 10 DGCDRN CC(C)(C)[NH+]1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC001330415554 1104550166 /nfs/dbraw/zinc/55/01/66/1104550166.db2.gz ZYYVAWFQKUJMNY-UHFFFAOYSA-N 0 0 300.805 3.101 20 10 DGCDRN O=C(NC[C@@H]1CCc2ccccc2C1)N1Cc2cccc(O)c2C1 ZINC001330681729 1104615869 /nfs/dbraw/zinc/61/58/69/1104615869.db2.gz KTDPYKCHIAGOKL-CQSZACIVSA-N 0 0 322.408 3.223 20 10 DGCDRN Cc1ccnc(CNC(=S)Nc2c(F)cc(F)cc2F)c1 ZINC001247369203 1104882481 /nfs/dbraw/zinc/88/24/81/1104882481.db2.gz GQRWTJPCSOYNRQ-UHFFFAOYSA-N 0 0 311.332 3.294 20 10 DGCDRN Fc1cc(F)c(NC(=S)NCc2cccc(F)n2)c(F)c1 ZINC001247436325 1104902167 /nfs/dbraw/zinc/90/21/67/1104902167.db2.gz LZRHTHCUOPQFPU-UHFFFAOYSA-N 0 0 315.295 3.125 20 10 DGCDRN C[C@H](NS(=O)(=O)c1cccc(Cl)c1)c1ccccc1O ZINC001256833253 1105078977 /nfs/dbraw/zinc/07/89/77/1105078977.db2.gz UXCLEIJMGVWSIH-JTQLQIEISA-N 0 0 311.790 3.085 20 10 DGCDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC001248715136 1105150462 /nfs/dbraw/zinc/15/04/62/1105150462.db2.gz HHMWQJWOOHKPTO-XXSPCDMZSA-N 0 0 308.809 3.137 20 10 DGCDRN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC001248715134 1105150473 /nfs/dbraw/zinc/15/04/73/1105150473.db2.gz HHMWQJWOOHKPTO-JYILRKAJSA-N 0 0 308.809 3.137 20 10 DGCDRN CC1(C)C=Cc2c(O)c(CN3CCCC(=O)[C@@H](F)C3)ccc2O1 ZINC001249224032 1105249414 /nfs/dbraw/zinc/24/94/14/1105249414.db2.gz RGPMQQVMNCMOJN-AWEZNQCLSA-N 0 0 319.376 3.079 20 10 DGCDRN CCOC(=O)CCCCc1ccc(N2CCOCC2)cc1C ZINC001249980959 1105420794 /nfs/dbraw/zinc/42/07/94/1105420794.db2.gz BELRXSAATAXWBF-UHFFFAOYSA-N 0 0 305.418 3.108 20 10 DGCDRN O=C(c1ccncc1)c1ccccc1Nc1ccc2nncn2c1 ZINC001250012234 1105427539 /nfs/dbraw/zinc/42/75/39/1105427539.db2.gz LATWIFHOHPEFFA-UHFFFAOYSA-N 0 0 315.336 3.099 20 10 DGCDRN Cc1cc(CN2Cc3cccnc3C2)c(O)cc1Br ZINC001250120605 1105446477 /nfs/dbraw/zinc/44/64/77/1105446477.db2.gz KMEOHNQQCVYPKQ-UHFFFAOYSA-N 0 0 319.202 3.374 20 10 DGCDRN Cc1cc(CN2CC(OC(C)C)C2)c(O)cc1Br ZINC001250133680 1105450179 /nfs/dbraw/zinc/45/01/79/1105450179.db2.gz PHHGVULUHRIHTL-UHFFFAOYSA-N 0 0 314.223 3.072 20 10 DGCDRN Cc1cc(CN2CC3(CSC3)C2)c(O)cc1Br ZINC001250135705 1105450999 /nfs/dbraw/zinc/45/09/99/1105450999.db2.gz ILBKEFJNGQZSRV-UHFFFAOYSA-N 0 0 314.248 3.012 20 10 DGCDRN CN(C)c1ccc(CC2=CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001250434253 1105514785 /nfs/dbraw/zinc/51/47/85/1105514785.db2.gz JQSSELGVFAOOOZ-UHFFFAOYSA-N 0 0 302.418 3.472 20 10 DGCDRN CCOc1cc2nc(-c3ccc(O)c(O)c3)[nH]c2cc1OCC ZINC001250465058 1105518123 /nfs/dbraw/zinc/51/81/23/1105518123.db2.gz VPACIHVTBKTJJT-UHFFFAOYSA-N 0 0 314.341 3.439 20 10 DGCDRN CCOc1cccc2[nH]c(-c3cc(O)c(O)c(OC)c3)nc21 ZINC001250488219 1105523633 /nfs/dbraw/zinc/52/36/33/1105523633.db2.gz GGKFFHPXBRNLDA-UHFFFAOYSA-N 0 0 300.314 3.048 20 10 DGCDRN [O-]c1c(Cl)cccc1CN1CC2(C1)C[NH+](C1CCCC1)C2 ZINC001276380387 1105538825 /nfs/dbraw/zinc/53/88/25/1105538825.db2.gz RSGXMQLKXAFRMF-UHFFFAOYSA-N 0 0 306.837 3.106 20 10 DGCDRN CC(C)c1ccc(OC[C@H](O)CNc2cccc(O)c2O)cc1 ZINC001250763540 1105578876 /nfs/dbraw/zinc/57/88/76/1105578876.db2.gz JQZBCUNPZZXFFS-CQSZACIVSA-N 0 0 317.385 3.073 20 10 DGCDRN O=S(=O)(NCc1cc2ccccc2cc1O)c1cccs1 ZINC001250942799 1105608511 /nfs/dbraw/zinc/60/85/11/1105608511.db2.gz DIPIJRSWTOWXPQ-UHFFFAOYSA-N 0 0 319.407 3.085 20 10 DGCDRN Oc1cc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc(O)c1O ZINC001251244791 1105643703 /nfs/dbraw/zinc/64/37/03/1105643703.db2.gz ZYGHTFHGYLOVQK-UHFFFAOYSA-N 0 0 310.231 3.366 20 10 DGCDRN Oc1cc(-c2nc3ccc(F)cc3n2C2CC2)cc(O)c1O ZINC001251248352 1105643820 /nfs/dbraw/zinc/64/38/20/1105643820.db2.gz MSMIWLDAHYUGCB-UHFFFAOYSA-N 0 0 300.289 3.294 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CCNc1ccccc1 ZINC001251886007 1105706065 /nfs/dbraw/zinc/70/60/65/1105706065.db2.gz LNVRDYNOOPVCBV-UHFFFAOYSA-N 0 0 311.429 3.179 20 10 DGCDRN CCCC[C@@H](O)CNc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001252078678 1105734040 /nfs/dbraw/zinc/73/40/40/1105734040.db2.gz XKHFEZQMFFHBBE-CQSZACIVSA-N 0 0 323.392 3.425 20 10 DGCDRN CCCONC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001252323896 1105767330 /nfs/dbraw/zinc/76/73/30/1105767330.db2.gz HMZVPHFNJBUCOU-UHFFFAOYSA-N 0 0 301.390 3.235 20 10 DGCDRN CC(C)S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC001252508431 1105786239 /nfs/dbraw/zinc/78/62/39/1105786239.db2.gz QHJRLKDARWJUMH-UHFFFAOYSA-N 0 0 303.383 3.068 20 10 DGCDRN CCC[C@@H](O)CNc1cccc2c1C(=O)c1ccccc1C2=O ZINC001252771811 1105828651 /nfs/dbraw/zinc/82/86/51/1105828651.db2.gz VLQCGTKAHKDAIQ-GFCCVEGCSA-N 0 0 309.365 3.035 20 10 DGCDRN C[C@@H](COCC(F)(F)F)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001308250421 1105843368 /nfs/dbraw/zinc/84/33/68/1105843368.db2.gz RTLHKTNQVPVXHO-ZETCQYMHSA-N 0 0 315.694 3.242 20 10 DGCDRN CN(C)c1ccc([C@@H](O)c2nnc(-c3cccc(F)c3)o2)cc1 ZINC001254180051 1106030350 /nfs/dbraw/zinc/03/03/50/1106030350.db2.gz IVCJHOMHFNNTQP-OAHLLOKOSA-N 0 0 313.332 3.023 20 10 DGCDRN COc1cc(-c2nnc([C@H]3C[C@H]3c3ccccc3)o2)cc(O)c1O ZINC001254699641 1106134380 /nfs/dbraw/zinc/13/43/80/1106134380.db2.gz YXEOWRRBQJLEIW-STQMWFEESA-N 0 0 324.336 3.428 20 10 DGCDRN C(=Cc1nnc(-c2ccc(-n3cccc3)cc2)o1)c1c[nH]cn1 ZINC001256930929 1106513773 /nfs/dbraw/zinc/51/37/73/1106513773.db2.gz OMNRALISPBWTFD-VMPITWQZSA-N 0 0 303.325 3.421 20 10 DGCDRN O=c1ccoc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)c1 ZINC001256940909 1106514474 /nfs/dbraw/zinc/51/44/74/1106514474.db2.gz OCYSASRBTKUEDO-UHFFFAOYSA-N 0 0 305.293 3.148 20 10 DGCDRN Cc1cc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)n(C)n1 ZINC001256941120 1106514598 /nfs/dbraw/zinc/51/45/98/1106514598.db2.gz QIBDHPYGHALRNW-UHFFFAOYSA-N 0 0 305.341 3.236 20 10 DGCDRN O=c1ccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)co1 ZINC001256940480 1106514609 /nfs/dbraw/zinc/51/46/09/1106514609.db2.gz FYVDIZXAWVKALW-UHFFFAOYSA-N 0 0 305.293 3.148 20 10 DGCDRN COC(=O)CC[C@H](C)[NH2+]Cc1cc(Cl)c2cccnc2c1[O-] ZINC001258355967 1106722144 /nfs/dbraw/zinc/72/21/44/1106722144.db2.gz MXMKEOUVIHWJJH-JTQLQIEISA-N 0 0 322.792 3.025 20 10 DGCDRN Oc1ccc(/C=C/c2nnc(Cc3cccc(F)c3)o2)cc1O ZINC001258509300 1106787987 /nfs/dbraw/zinc/78/79/87/1106787987.db2.gz YWKUZEOHPIYMTL-FNORWQNLSA-N 0 0 312.300 3.381 20 10 DGCDRN CC(C)CNC(=O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC001320130430 1106890820 /nfs/dbraw/zinc/89/08/20/1106890820.db2.gz KSNSVLRCAMMBBF-SECBINFHSA-N 0 0 319.232 3.122 20 10 DGCDRN O=S(=O)(Cc1ccc(F)cc1)Nc1ccc(O)c(Cl)c1 ZINC001259253262 1107106242 /nfs/dbraw/zinc/10/62/42/1107106242.db2.gz SBRBZSIZYJEUCE-UHFFFAOYSA-N 0 0 315.753 3.127 20 10 DGCDRN CC(C)C1(O)CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001474749501 1107116488 /nfs/dbraw/zinc/11/64/88/1107116488.db2.gz MCLJQNHEJOIVKA-UHFFFAOYSA-N 0 0 301.789 3.168 20 10 DGCDRN O=C(CCc1ccc(Cl)c(F)c1)NCc1ccc(O)cc1O ZINC001299572138 1107120973 /nfs/dbraw/zinc/12/09/73/1107120973.db2.gz BVXCTPRVEWGMGK-UHFFFAOYSA-N 0 0 323.751 3.139 20 10 DGCDRN Cc1cc2occ(C(=O)NCc3ccc(O)cc3O)c2cc1C ZINC001299575250 1107122854 /nfs/dbraw/zinc/12/28/54/1107122854.db2.gz YLCOWKSKNQEAAF-UHFFFAOYSA-N 0 0 311.337 3.391 20 10 DGCDRN O=C(CCc1cccc(Cl)c1)NCc1ccc(O)cc1O ZINC001299573565 1107123599 /nfs/dbraw/zinc/12/35/99/1107123599.db2.gz LEZMHHLGXNAVRR-UHFFFAOYSA-N 0 0 305.761 3.000 20 10 DGCDRN CCOc1ccc(CNc2ccc(C(C)(C)C)nn2)c(O)c1 ZINC001320774041 1107133508 /nfs/dbraw/zinc/13/35/08/1107133508.db2.gz VHRJQAIINLOFNJ-UHFFFAOYSA-N 0 0 301.390 3.491 20 10 DGCDRN Cc1cccc(CS(=O)(=O)Nc2cc(C)c(O)cc2C)c1 ZINC001259748927 1107189407 /nfs/dbraw/zinc/18/94/07/1107189407.db2.gz VFKMHBQQHIGIEY-UHFFFAOYSA-N 0 0 305.399 3.259 20 10 DGCDRN COc1cccc(CC(=O)Nc2c3nonc3ccc2Cl)c1 ZINC001320946249 1107198784 /nfs/dbraw/zinc/19/87/84/1107198784.db2.gz FDIQMQGPCZDNQM-UHFFFAOYSA-N 0 0 317.732 3.066 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)c1ccc(Cl)nc1 ZINC001320978446 1107211530 /nfs/dbraw/zinc/21/15/30/1107211530.db2.gz MCAHLTLLINQGEW-UHFFFAOYSA-N 0 0 309.112 3.177 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ncc(Cl)s1 ZINC001321018833 1107224091 /nfs/dbraw/zinc/22/40/91/1107224091.db2.gz YDQLRAGYIAQCOU-UHFFFAOYSA-N 0 0 309.822 3.101 20 10 DGCDRN C[C@@H](Sc1ncc(Cl)s1)C(=O)NCc1ccco1 ZINC001261599440 1107484863 /nfs/dbraw/zinc/48/48/63/1107484863.db2.gz XTHQSRSPCNLHHS-SSDOTTSWSA-N 0 0 302.808 3.187 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@@H](C)c2cc(C)oc2C)ccc1[N+](=O)[O-] ZINC001322149843 1107545385 /nfs/dbraw/zinc/54/53/85/1107545385.db2.gz PAMXPVGRRUKXIT-JTQLQIEISA-N 0 0 320.345 3.370 20 10 DGCDRN CC(C)[C@@H]1C[C@H](C(=O)Nc2c3nonc3ccc2Cl)CCO1 ZINC001262487841 1107718371 /nfs/dbraw/zinc/71/83/71/1107718371.db2.gz HPZYWBDWAUDWGW-SKDRFNHKSA-N 0 0 323.780 3.266 20 10 DGCDRN Cc1cc(CC(=O)NCCC(F)F)c(C)n1-c1ccccc1 ZINC001262827520 1107832409 /nfs/dbraw/zinc/83/24/09/1107832409.db2.gz KHDJPMVGXFYIPO-UHFFFAOYSA-N 0 0 306.356 3.408 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1CC[C@@](C)(CC)C1 ZINC001263011276 1107904373 /nfs/dbraw/zinc/90/43/73/1107904373.db2.gz WVASQCGRDBJZOR-OAHLLOKOSA-N 0 0 306.435 3.359 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1CC[C@@H](C)C[C@H]1C ZINC001263011347 1107904934 /nfs/dbraw/zinc/90/49/34/1107904934.db2.gz YZGKNGLTPKGZOX-GHMZBOCLSA-N 0 0 306.435 3.357 20 10 DGCDRN CCO[C@@H](CC(=O)Nc1c2nonc2ccc1Cl)C(C)C ZINC001323481581 1107985063 /nfs/dbraw/zinc/98/50/63/1107985063.db2.gz BVZDGKZPJAPIHR-NSHDSACASA-N 0 0 311.769 3.266 20 10 DGCDRN CC[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)C[C@@H](C)[S@]1=O ZINC001323981253 1108136178 /nfs/dbraw/zinc/13/61/78/1108136178.db2.gz LDIYOIIELUWXLT-YBOAYWMSSA-N 0 0 320.502 3.018 20 10 DGCDRN CC(C)c1oncc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001263703126 1108164277 /nfs/dbraw/zinc/16/42/77/1108164277.db2.gz KADOYFBCLYWMMA-UHFFFAOYSA-N 0 0 301.390 3.136 20 10 DGCDRN CCOC(=O)C[C@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1O ZINC001324337615 1108256316 /nfs/dbraw/zinc/25/63/16/1108256316.db2.gz SVUXVCJNZLPUDM-MRXNPFEDSA-N 0 0 313.397 3.463 20 10 DGCDRN Cc1conc1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001319316357 1108412710 /nfs/dbraw/zinc/41/27/10/1108412710.db2.gz IVCIJVQUIYICFN-UHFFFAOYSA-N 0 0 314.389 3.246 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)/C=C/C(C)(C)C)CC2)cc1 ZINC001319397485 1108446280 /nfs/dbraw/zinc/44/62/80/1108446280.db2.gz PPMNPBSSARRZAR-ZHACJKMWSA-N 0 0 316.445 3.336 20 10 DGCDRN COc1cc(C)cc(CN2Cc3ccc([N+](=O)[O-])cc3C2)c1O ZINC001319468418 1108482823 /nfs/dbraw/zinc/48/28/23/1108482823.db2.gz XOEUNVSRJNSKBA-UHFFFAOYSA-N 0 0 314.341 3.133 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ncc(Cl)s2)c1 ZINC001324954358 1108532511 /nfs/dbraw/zinc/53/25/11/1108532511.db2.gz NPJYUVYHFQQMGR-ZETCQYMHSA-N 0 0 312.778 3.002 20 10 DGCDRN COc1ccc(N(CC(=O)OC(C)C)Cc2ccco2)cc1F ZINC001319604121 1108549982 /nfs/dbraw/zinc/54/99/82/1108549982.db2.gz RTZXSTFBPKVFNK-UHFFFAOYSA-N 0 0 321.348 3.386 20 10 DGCDRN Cc1cc(C(=O)NCC2=CCOCC2)c(C)n1-c1ccccc1C ZINC001325233187 1108602876 /nfs/dbraw/zinc/60/28/76/1108602876.db2.gz UKJHMJDZTRDVRO-UHFFFAOYSA-N 0 0 324.424 3.479 20 10 DGCDRN COc1ccc2cc(C(=O)NCc3ccc(O)c(O)c3)ccc2c1 ZINC001319902426 1108687936 /nfs/dbraw/zinc/68/79/36/1108687936.db2.gz AVTKPTKKQMOVEI-UHFFFAOYSA-N 0 0 323.348 3.190 20 10 DGCDRN Cc1cccc2sc(NC(=O)Cc3ccc(O)c(O)c3)nc21 ZINC001290284412 1110240898 /nfs/dbraw/zinc/24/08/98/1110240898.db2.gz NSVFBSWTZGILQG-UHFFFAOYSA-N 0 0 314.366 3.197 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C(F)(F)C(F)F ZINC001290374121 1110243815 /nfs/dbraw/zinc/24/38/15/1110243815.db2.gz GYCMMRPGWLMRIT-UHFFFAOYSA-N 0 0 318.314 3.146 20 10 DGCDRN COc1ccc2cc(C(=O)NCc3cc(C)ccc3O)[nH]c2c1 ZINC001301046483 1111079882 /nfs/dbraw/zinc/07/98/82/1111079882.db2.gz CKDPDPNZKKYDGC-UHFFFAOYSA-N 0 0 310.353 3.121 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Cc2cc(-c3ccccc3)on2)c1 ZINC001301047415 1111079895 /nfs/dbraw/zinc/07/98/95/1111079895.db2.gz XCKGGQCQRKXZAT-UHFFFAOYSA-N 0 0 322.364 3.215 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cc(C(F)(F)F)ccn2)c1 ZINC001301047271 1111080017 /nfs/dbraw/zinc/08/00/17/1111080017.db2.gz VDUHIEHUYMWDJH-UHFFFAOYSA-N 0 0 310.275 3.044 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Cc2cccc(C(F)F)c2)c1 ZINC001301046763 1111080137 /nfs/dbraw/zinc/08/01/37/1111080137.db2.gz KECOCZFBYGZOLN-UHFFFAOYSA-N 0 0 305.324 3.497 20 10 DGCDRN C[C@H](NC(=O)c1cc(Cl)c(F)cc1N)c1ccccc1O ZINC001302538289 1111117323 /nfs/dbraw/zinc/11/73/23/1111117323.db2.gz MDRBIZZXRMTDFW-QMMMGPOBSA-N 0 0 308.740 3.258 20 10 DGCDRN C[C@H](NC(=O)Cc1c[nH]c2ccc(F)cc12)c1ccccc1O ZINC001302532650 1111117489 /nfs/dbraw/zinc/11/74/89/1111117489.db2.gz MXDAIHKSPVWDHG-NSHDSACASA-N 0 0 312.344 3.433 20 10 DGCDRN CCOc1cccc(/C=C/C(=O)N2Cc3cccc(O)c3C2)c1 ZINC001302786903 1111125528 /nfs/dbraw/zinc/12/55/28/1111125528.db2.gz KXEGAQUNVUPPGU-MDZDMXLPSA-N 0 0 309.365 3.347 20 10 DGCDRN O=C(c1cc2sccc2c(O)c1)N1Cc2cccc(O)c2C1 ZINC001302785963 1111125533 /nfs/dbraw/zinc/12/55/33/1111125533.db2.gz BPYYUFOIRUBWKD-UHFFFAOYSA-N 0 0 311.362 3.469 20 10 DGCDRN Cc1ccc2c(CC(=O)NCc3cccc(O)c3O)coc2c1 ZINC001303193728 1111136783 /nfs/dbraw/zinc/13/67/83/1111136783.db2.gz QXOLMXYYWHGNQI-UHFFFAOYSA-N 0 0 311.337 3.011 20 10 DGCDRN Cc1ccc(CCC(=O)NCc2cc(O)ccc2O)cc1Cl ZINC001303223254 1111137267 /nfs/dbraw/zinc/13/72/67/1111137267.db2.gz HNNSWJUMFQSHOZ-UHFFFAOYSA-N 0 0 319.788 3.309 20 10 DGCDRN CC(C)c1nsc(NC(=O)c2ccc(N=NC(N)=O)cc2)n1 ZINC001303338907 1111140700 /nfs/dbraw/zinc/14/07/00/1111140700.db2.gz VKGILTZQBZTEQM-UHFFFAOYSA-N 0 0 318.362 3.076 20 10 DGCDRN O=C(Cc1cccc(C(F)F)c1)NCc1c(O)cccc1F ZINC001303875358 1111156378 /nfs/dbraw/zinc/15/63/78/1111156378.db2.gz FPMQFJCHIWHHFB-UHFFFAOYSA-N 0 0 309.287 3.328 20 10 DGCDRN CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NCc1c(O)cccc1O ZINC001304053462 1111163881 /nfs/dbraw/zinc/16/38/81/1111163881.db2.gz LOBGSPHTZKWDKV-DCGLDWPTSA-N 0 0 321.417 3.088 20 10 DGCDRN CC(C)(C(=O)NCc1c(O)cccc1O)c1cccc(Cl)c1 ZINC001304053661 1111163975 /nfs/dbraw/zinc/16/39/75/1111163975.db2.gz QLELSNHUSWCLNY-UHFFFAOYSA-N 0 0 319.788 3.345 20 10 DGCDRN COCC1(C(=O)NCc2c(O)ccc3ccccc32)CCCC1 ZINC001304091202 1111166010 /nfs/dbraw/zinc/16/60/10/1111166010.db2.gz ZEAAVVQELDHLLS-UHFFFAOYSA-N 0 0 313.397 3.368 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCCc2ccccc2C1 ZINC001304316077 1111173141 /nfs/dbraw/zinc/17/31/41/1111173141.db2.gz FRWXDMOUQCMKFR-KAMXEHQASA-N 0 0 323.392 3.175 20 10 DGCDRN Cn1ccc2ccc(C(=O)NCc3cccc(Cl)c3O)cc21 ZINC001305085160 1111193020 /nfs/dbraw/zinc/19/30/20/1111193020.db2.gz RDCRAFRUTVJJRZ-UHFFFAOYSA-N 0 0 314.772 3.467 20 10 DGCDRN CCCCn1c(C2CC2)nnc1N(C)Cc1ccccc1O ZINC001306706439 1111237375 /nfs/dbraw/zinc/23/73/75/1111237375.db2.gz PJLRCWAYJWVMAN-UHFFFAOYSA-N 0 0 300.406 3.298 20 10 DGCDRN CCN(C[C@@H]1CC2(CCC2)CO1)c1ccc(OC)c(OC)c1 ZINC001307573345 1111314948 /nfs/dbraw/zinc/31/49/48/1111314948.db2.gz GTQWHPNLMZBQNX-HNNXBMFYSA-N 0 0 305.418 3.489 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CCOC[C@@]2(C)C2CC2)c1O ZINC001308143689 1111384291 /nfs/dbraw/zinc/38/42/91/1111384291.db2.gz VNZMLQWHVLCKFM-KRWDZBQOSA-N 0 0 323.820 3.249 20 10 DGCDRN CNC(=O)Cc1ccc(NCc2cc(Cl)cc(F)c2O)cc1 ZINC001308209802 1111398068 /nfs/dbraw/zinc/39/80/68/1111398068.db2.gz ZFEPETYETGIFQV-UHFFFAOYSA-N 0 0 322.767 3.085 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H](C)c2cnn(C)c2)c1 ZINC001308282042 1111409879 /nfs/dbraw/zinc/40/98/79/1111409879.db2.gz CUIHNWNHZDCGRU-JTQLQIEISA-N 0 0 324.222 3.047 20 10 DGCDRN Cn1cnc2cc(NCc3cccc4c3OCCCO4)ccc21 ZINC001308313001 1111415063 /nfs/dbraw/zinc/41/50/63/1111415063.db2.gz DCCRPEKGVFJLKY-UHFFFAOYSA-N 0 0 309.369 3.347 20 10 DGCDRN COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(-c3cc[nH]n3)o2)c1 ZINC001308449749 1111429980 /nfs/dbraw/zinc/42/99/80/1111429980.db2.gz AXZICBQALXYJMT-LLVKDONJSA-N 0 0 313.357 3.235 20 10 DGCDRN CN(C)c1ccc(CNc2ccc3c(cc[nH]c3=O)c2)cc1F ZINC001308460215 1111431439 /nfs/dbraw/zinc/43/14/39/1111431439.db2.gz UPERZXYJILGZMS-UHFFFAOYSA-N 0 0 311.360 3.345 20 10 DGCDRN C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1cccc(Br)c1[O-] ZINC001308741888 1111468297 /nfs/dbraw/zinc/46/82/97/1111468297.db2.gz KOHQXWQGHDJOGY-MNOVXSKESA-N 0 0 314.223 3.059 20 10 DGCDRN COC(=O)CCc1ccc(NCc2cc(F)c(F)cc2O)cc1 ZINC001308679619 1111459496 /nfs/dbraw/zinc/45/94/96/1111459496.db2.gz KAESTJWUCZALNH-UHFFFAOYSA-N 0 0 321.323 3.388 20 10 DGCDRN C[C@H](C[C@H]1CCOC1)[NH2+]Cc1cccc(Br)c1[O-] ZINC001308741887 1111468403 /nfs/dbraw/zinc/46/84/03/1111468403.db2.gz KOHQXWQGHDJOGY-GHMZBOCLSA-N 0 0 314.223 3.059 20 10 DGCDRN OC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)CC[C@@H]1C(F)(F)F ZINC001308755145 1111470711 /nfs/dbraw/zinc/47/07/11/1111470711.db2.gz FFFVCTGWRJNUNZ-JQWIXIFHSA-N 0 0 323.742 3.038 20 10 DGCDRN Oc1cc(F)c(F)cc1CN1CCOC[C@@H]1c1ccc(F)cc1 ZINC001308770482 1111472265 /nfs/dbraw/zinc/47/22/65/1111472265.db2.gz XEXKTDMSWNHTJA-MRXNPFEDSA-N 0 0 323.314 3.383 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cc(F)c(F)cc1[O-])[C@@H](O)c1ccccc1 ZINC001308931841 1111495522 /nfs/dbraw/zinc/49/55/22/1111495522.db2.gz VQIDDMLZZZFJHG-WBVHZDCISA-N 0 0 307.340 3.272 20 10 DGCDRN Oc1cccc(Br)c1C[NH+]1CC(Cc2ccoc2)C1 ZINC001308969333 1111502002 /nfs/dbraw/zinc/50/20/02/1111502002.db2.gz RQGYCRONJSERPH-UHFFFAOYSA-N 0 0 322.202 3.422 20 10 DGCDRN C[C@H]1CC[C@@](CO)([NH2+]Cc2cccc(F)c2[O-])c2ccccc21 ZINC001308984020 1111505232 /nfs/dbraw/zinc/50/52/32/1111505232.db2.gz DOYHUCWORPQPMB-DJJJIMSYSA-N 0 0 315.388 3.406 20 10 DGCDRN CSc1ccccc1S(=O)(=O)N[C@@H](C)c1ccccc1O ZINC001309769226 1111540081 /nfs/dbraw/zinc/54/00/81/1111540081.db2.gz RTMXOQQDQFEERO-NSHDSACASA-N 0 0 323.439 3.154 20 10 DGCDRN COc1ccc(F)c(NC(=O)N[C@H](C)c2ccccc2O)c1 ZINC001310411695 1111558979 /nfs/dbraw/zinc/55/89/79/1111558979.db2.gz HVSUCWWFLRVFGC-SNVBAGLBSA-N 0 0 304.321 3.423 20 10 DGCDRN COc1cc(F)c(F)cc1NC(=O)N1Cc2cccc(O)c2C1 ZINC001310845270 1111572724 /nfs/dbraw/zinc/57/27/24/1111572724.db2.gz PEHXYFPHBBJXFP-UHFFFAOYSA-N 0 0 320.295 3.227 20 10 DGCDRN CSc1cc(NC(=O)N2Cc3cccc(O)c3C2)ccn1 ZINC001311018109 1111579563 /nfs/dbraw/zinc/57/95/63/1111579563.db2.gz KRWVLKPHQVBVQU-UHFFFAOYSA-N 0 0 301.371 3.057 20 10 DGCDRN COc1ccc(CNC(=O)NC[C@H]2C[C@H](C)C[C@H](C)C2)c(O)c1 ZINC001312985260 1111686400 /nfs/dbraw/zinc/68/64/00/1111686400.db2.gz WCUUDSMJSMSSRY-WDNDVIMCSA-N 0 0 320.433 3.272 20 10 DGCDRN C[C@H](NC(=O)NCc1cc(Cl)ccc1O)c1ccns1 ZINC001313107429 1111695503 /nfs/dbraw/zinc/69/55/03/1111695503.db2.gz TUPNNCAJCIOPTN-QMMMGPOBSA-N 0 0 311.794 3.063 20 10 DGCDRN Cc1cc(CNC(=O)N2CC[C@H](F)C2)c(C)n1-c1ccccc1 ZINC001313133643 1111696640 /nfs/dbraw/zinc/69/66/40/1111696640.db2.gz URACKKFVQBBFRI-INIZCTEOSA-N 0 0 315.392 3.348 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCCc3ccccc3C2)c1 ZINC001313365012 1111711520 /nfs/dbraw/zinc/71/15/20/1111711520.db2.gz AYIPGABHWAKAGR-GOSISDBHSA-N 0 0 324.424 3.447 20 10 DGCDRN CC[C@@H](C)[C@H](C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000183257184 529409626 /nfs/dbraw/zinc/40/96/26/529409626.db2.gz SRGIHZBUSMVFPD-CVEARBPZSA-N 0 0 318.461 3.416 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccnc1C1CC1 ZINC000356033513 529786099 /nfs/dbraw/zinc/78/60/99/529786099.db2.gz GPRFVXUIUJAHDY-UHFFFAOYSA-N 0 0 323.396 3.064 20 10 DGCDRN CN(CCC1CC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000179070234 529876085 /nfs/dbraw/zinc/87/60/85/529876085.db2.gz QHEMVXMWIVBQBW-UHFFFAOYSA-N 0 0 301.434 3.228 20 10 DGCDRN Cc1ccc(O)c(CNc2ccc(CN3CCOCC3)cc2)c1 ZINC000103855130 432013362 /nfs/dbraw/zinc/01/33/62/432013362.db2.gz JBKDGGPUWYHLCU-UHFFFAOYSA-N 0 0 312.413 3.145 20 10 DGCDRN CCCCN1C(=O)C2(CCCCC2)N[C@H]1c1ccc(O)c(O)c1 ZINC000078768914 282794385 /nfs/dbraw/zinc/79/43/85/282794385.db2.gz QFLIRBDFFVOCSE-MRXNPFEDSA-N 0 0 318.417 3.031 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccncc1Cl ZINC000072910561 191250661 /nfs/dbraw/zinc/25/06/61/191250661.db2.gz KDLMOUZWUSHMEI-UHFFFAOYSA-N 0 0 304.777 3.493 20 10 DGCDRN Cc1nc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)cs1 ZINC000072952780 191255071 /nfs/dbraw/zinc/25/50/71/191255071.db2.gz FMUPWKWGLSGMPP-INIZCTEOSA-N 0 0 318.442 3.338 20 10 DGCDRN Cc1cc(Cl)cc(CN2CCN(C(=O)C(C)(C)C)CC2)c1O ZINC000179672097 432066613 /nfs/dbraw/zinc/06/66/13/432066613.db2.gz ITGNCHVARGRTTA-UHFFFAOYSA-N 0 0 324.852 3.044 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)/C=C/c1ccnn1CC ZINC000134209131 432074435 /nfs/dbraw/zinc/07/44/35/432074435.db2.gz OAGOGBRFCDWFNO-MDZDMXLPSA-N 0 0 313.401 3.061 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000187748064 299302287 /nfs/dbraw/zinc/30/22/87/299302287.db2.gz IPZQRMZOZMTSEF-AAEUAGOBSA-N 0 0 307.340 3.097 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1ccc(F)c(F)c1[O-] ZINC000278479062 299317854 /nfs/dbraw/zinc/31/78/54/299317854.db2.gz OOZFMGWXYZYGDI-WCQYABFASA-N 0 0 310.388 3.338 20 10 DGCDRN Nc1ccc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)cc1 ZINC000195308855 283664604 /nfs/dbraw/zinc/66/46/04/283664604.db2.gz MVHIVFVAKOZGQJ-LLVKDONJSA-N 0 0 302.761 3.112 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1C[C@H]1C1CC1 ZINC000454878540 242054760 /nfs/dbraw/zinc/05/47/60/242054760.db2.gz SZEZFWHUPOUGGU-HOCLYGCPSA-N 0 0 311.429 3.332 20 10 DGCDRN CCc1ccccc1CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000468029365 244016304 /nfs/dbraw/zinc/01/63/04/244016304.db2.gz YRTISKISNXXFBC-UHFFFAOYSA-N 0 0 324.424 3.283 20 10 DGCDRN CSCCCNC(=O)NCc1c(C)c2ccccc2n1C ZINC000471907897 244265631 /nfs/dbraw/zinc/26/56/31/244265631.db2.gz BBHVFPDPKSPPMZ-UHFFFAOYSA-N 0 0 305.447 3.039 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CCCc3occc32)cc1 ZINC000097358645 193709959 /nfs/dbraw/zinc/70/99/59/193709959.db2.gz LJAUXLVOSWIRMG-MRXNPFEDSA-N 0 0 313.401 3.222 20 10 DGCDRN C[C@@H](N[C@@H](C)c1ccc(N2CCCCC2)cc1)c1nncn1C ZINC000268824467 432143164 /nfs/dbraw/zinc/14/31/64/432143164.db2.gz AWCBTEOUTUQMLL-LSDHHAIUSA-N 0 0 313.449 3.217 20 10 DGCDRN Cc1cc(C(=O)NC2=NCCS2)c(C)n1-c1ccc(F)cc1 ZINC000061470248 184171246 /nfs/dbraw/zinc/17/12/46/184171246.db2.gz DZINFTSXPFTPQW-UHFFFAOYSA-N 0 0 317.389 3.066 20 10 DGCDRN COc1cccc(CNC(=O)NC[C@H]2CCCC2(C)C)c1O ZINC000297457027 533499308 /nfs/dbraw/zinc/49/93/08/533499308.db2.gz KILRDLGVBOYNBO-CYBMUJFWSA-N 0 0 306.406 3.026 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccc([S@@](C)=O)cc1 ZINC000272421165 130029456 /nfs/dbraw/zinc/02/94/56/130029456.db2.gz LZCQUHNYOGHGAQ-WSVYEEACSA-N 0 0 307.390 3.120 20 10 DGCDRN CC[C@@H]1C[C@H](C(=O)N(CC)Cc2ccc(N(C)C)cc2)CCO1 ZINC000272578588 130043701 /nfs/dbraw/zinc/04/37/01/130043701.db2.gz KTNPHWOBRRIQMM-SJLPKXTDSA-N 0 0 318.461 3.306 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000273116094 130090674 /nfs/dbraw/zinc/09/06/74/130090674.db2.gz NXBOHSATVQYDOZ-JXMROGBWSA-N 0 0 309.413 3.128 20 10 DGCDRN COc1cc(C)cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273502017 130128841 /nfs/dbraw/zinc/12/88/41/130128841.db2.gz QGNFCWKFVCEKRI-GFCCVEGCSA-N 0 0 316.357 3.468 20 10 DGCDRN Cc1ccc(O)c([C@@H](C)N[C@@H](CO)c2c(F)cccc2F)c1 ZINC000273526981 130132266 /nfs/dbraw/zinc/13/22/66/130132266.db2.gz VMCJIAPVSVZCJJ-ABAIWWIYSA-N 0 0 307.340 3.363 20 10 DGCDRN COCc1cccc(N[C@H](C)c2cc(C(=O)OC)ccc2O)c1 ZINC000273540921 130133219 /nfs/dbraw/zinc/13/32/19/130133219.db2.gz YHLYNGOXCIYOPI-GFCCVEGCSA-N 0 0 315.369 3.498 20 10 DGCDRN Cc1nc(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])sc1C ZINC000273609596 130143702 /nfs/dbraw/zinc/14/37/02/130143702.db2.gz VIBVOGCRIBGFKA-JTQLQIEISA-N 0 0 321.402 3.267 20 10 DGCDRN Cc1ccc(O)c(CNc2ccc(OC(C)C)c(C(N)=O)c2)c1 ZINC000280135757 130784996 /nfs/dbraw/zinc/78/49/96/130784996.db2.gz CRCZDJCJLBWMAM-UHFFFAOYSA-N 0 0 314.385 3.199 20 10 DGCDRN CO[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000280786555 130817647 /nfs/dbraw/zinc/81/76/47/130817647.db2.gz KRKCGASPXYUWHY-GOSISDBHSA-N 0 0 316.445 3.060 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H](CC)COC ZINC000283626532 131009030 /nfs/dbraw/zinc/00/90/30/131009030.db2.gz HTGDWSKRYNKUMM-HNNXBMFYSA-N 0 0 308.422 3.129 20 10 DGCDRN OCCCOc1ccc(NCc2c(O)cccc2Cl)cc1 ZINC000285550507 131180769 /nfs/dbraw/zinc/18/07/69/131180769.db2.gz RKQNGQFICBPOSR-UHFFFAOYSA-N 0 0 307.777 3.419 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H](O)c1ccc(OC)cc1)c1ccc(F)cc1[O-] ZINC000285811589 131203408 /nfs/dbraw/zinc/20/34/08/131203408.db2.gz VVSITTMKXJSASW-SJLPKXTDSA-N 0 0 319.376 3.314 20 10 DGCDRN CC[C@@H](C)N1CC(=O)N(c2cc(Cl)c(N)c(Cl)c2)C1=O ZINC000285880208 131207123 /nfs/dbraw/zinc/20/71/23/131207123.db2.gz GFWWUFOTNBDSOU-SSDOTTSWSA-N 0 0 316.188 3.143 20 10 DGCDRN CC[C@H](C)N1CC(=O)N(c2cc(Cl)c(N)c(Cl)c2)C1=O ZINC000285880213 131207345 /nfs/dbraw/zinc/20/73/45/131207345.db2.gz GFWWUFOTNBDSOU-ZETCQYMHSA-N 0 0 316.188 3.143 20 10 DGCDRN C[C@H]([NH2+]CC(C)(C)OCCO)c1cc(Cl)c(Cl)cc1[O-] ZINC000287421148 131280154 /nfs/dbraw/zinc/28/01/54/131280154.db2.gz SGDHRERYJJVDPK-VIFPVBQESA-N 0 0 322.232 3.137 20 10 DGCDRN CCn1ccnc1CNC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000295727503 131918003 /nfs/dbraw/zinc/91/80/03/131918003.db2.gz LELJLVHXZKWANQ-UHFFFAOYSA-N 0 0 322.412 3.241 20 10 DGCDRN Cc1noc2nc(C(C)C)cc(C(=O)NCc3ccc(N)cc3)c12 ZINC000297193311 132003847 /nfs/dbraw/zinc/00/38/47/132003847.db2.gz LZJLZUWIFOIPED-UHFFFAOYSA-N 0 0 324.384 3.167 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H](OC)[C@@H](C)CC ZINC000297985357 132043615 /nfs/dbraw/zinc/04/36/15/132043615.db2.gz CCTKCVHZCBOCFS-WMLDXEAASA-N 0 0 322.449 3.375 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)Nc2ccncc2)C2CC2)cc1 ZINC000299124328 132090255 /nfs/dbraw/zinc/09/02/55/132090255.db2.gz FNNSCDLGQWUUDA-UHFFFAOYSA-N 0 0 310.401 3.344 20 10 DGCDRN CCN(Cc1nc(CC(C)C)no1)c1ccc(OC)c(OC)c1 ZINC000299295512 132096911 /nfs/dbraw/zinc/09/69/11/132096911.db2.gz WDQOEERZDBPNNJ-UHFFFAOYSA-N 0 0 319.405 3.312 20 10 DGCDRN COCCOc1ccc(NCc2cccc(OC)c2O)cc1 ZINC000122466890 132166879 /nfs/dbraw/zinc/16/68/79/132166879.db2.gz MXLDWPOFIXMSAB-UHFFFAOYSA-N 0 0 303.358 3.038 20 10 DGCDRN CO[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000273363680 285607685 /nfs/dbraw/zinc/60/76/85/285607685.db2.gz DKNZAFLFKAKLSH-SJCJKPOMSA-N 0 0 316.357 3.339 20 10 DGCDRN COC(C)(C)C[C@H](C)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000174557403 292075842 /nfs/dbraw/zinc/07/58/42/292075842.db2.gz FQCCEAFETANHRY-VIFPVBQESA-N 0 0 316.785 3.247 20 10 DGCDRN CCOc1cc(N(C)Cc2ccccc2O)ccc1[N+](=O)[O-] ZINC000092689343 400196338 /nfs/dbraw/zinc/19/63/38/400196338.db2.gz AKTOXJIZXFIGPY-UHFFFAOYSA-N 0 0 302.330 3.336 20 10 DGCDRN C[C@@H]1CN(C(=O)c2c[nH]nc2-c2cccnc2)c2ccccc21 ZINC000107047179 400333788 /nfs/dbraw/zinc/33/37/88/400333788.db2.gz QQMNJQOQGXNQLQ-GFCCVEGCSA-N 0 0 304.353 3.236 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cccc2n[nH]cc21 ZINC000042059937 400421499 /nfs/dbraw/zinc/42/14/99/400421499.db2.gz WRXYZZHNDUEQJF-UHFFFAOYSA-N 0 0 320.396 3.093 20 10 DGCDRN CCOc1cccc(CNC(=O)N(C)Cc2ccccc2O)c1 ZINC000045883315 400539769 /nfs/dbraw/zinc/53/97/69/400539769.db2.gz JDPIEFWQIHKUDS-UHFFFAOYSA-N 0 0 314.385 3.133 20 10 DGCDRN COCCCCNC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000047020200 400595910 /nfs/dbraw/zinc/59/59/10/400595910.db2.gz RWOYQUTUZXPPIP-UHFFFAOYSA-N 0 0 300.402 3.251 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@H](Cc1ccccc1)C1CC1 ZINC000076987828 400683762 /nfs/dbraw/zinc/68/37/62/400683762.db2.gz DCEZDGJIKJTLLM-QGZVFWFLSA-N 0 0 310.397 3.213 20 10 DGCDRN CCOC(=O)c1[nH]c(C)c(C(=O)CSc2nccs2)c1C ZINC000052914282 400754872 /nfs/dbraw/zinc/75/48/72/400754872.db2.gz LGROUOPXXOYUSL-UHFFFAOYSA-N 0 0 324.427 3.240 20 10 DGCDRN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nccs2)c1C ZINC000052913974 400754969 /nfs/dbraw/zinc/75/49/69/400754969.db2.gz PGBIVBYBXHRRGX-VIFPVBQESA-N 0 0 324.427 3.238 20 10 DGCDRN Cc1cnc(NCCCSc2nccs2)c([N+](=O)[O-])c1 ZINC000078663137 400817522 /nfs/dbraw/zinc/81/75/22/400817522.db2.gz OKUCHXYCGUIIQQ-UHFFFAOYSA-N 0 0 310.404 3.349 20 10 DGCDRN CC(C)=CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000055530411 400876000 /nfs/dbraw/zinc/87/60/00/400876000.db2.gz PWFHZTPOSSSQCJ-KBPBESRZSA-N 0 0 320.408 3.022 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CC[C@@H]2CCCO2)cc1 ZINC000079391444 400863095 /nfs/dbraw/zinc/86/30/95/400863095.db2.gz QIFZTLZBKNXZFU-KRWDZBQOSA-N 0 0 304.434 3.108 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2ccc[nH]2)c1O ZINC000079400262 400863570 /nfs/dbraw/zinc/86/35/70/400863570.db2.gz XJHMJQAAMQPDTH-INIZCTEOSA-N 0 0 302.349 3.399 20 10 DGCDRN CCCCCC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000055877520 400898169 /nfs/dbraw/zinc/89/81/69/400898169.db2.gz QNUCVTOUMCBMGN-UHFFFAOYSA-N 0 0 304.434 3.314 20 10 DGCDRN C[C@@H]1CN(C(=O)c2cn(C)nc2-c2cccnc2)c2ccccc21 ZINC000620892016 401003988 /nfs/dbraw/zinc/00/39/88/401003988.db2.gz MBZMXOQABWNNOG-CYBMUJFWSA-N 0 0 318.380 3.246 20 10 DGCDRN COCc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000060678827 401132856 /nfs/dbraw/zinc/13/28/56/401132856.db2.gz FMKOFSZUQIQNCK-UHFFFAOYSA-N 0 0 312.413 3.171 20 10 DGCDRN Cc1cc(C)cc(N(C)C(=O)c2cn(C)nc2-c2cccnc2)c1 ZINC000065874558 401282981 /nfs/dbraw/zinc/28/29/81/401282981.db2.gz DNMOELRILOKMOA-UHFFFAOYSA-N 0 0 320.396 3.376 20 10 DGCDRN CC[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1cccc(Cl)c1[O-] ZINC000287599350 286913958 /nfs/dbraw/zinc/91/39/58/286913958.db2.gz INJZDIOLWBNJPK-CYBMUJFWSA-N 0 0 320.824 3.214 20 10 DGCDRN O=C(CC[C@H]1CCCCO1)NCc1ccc(N2CCCC2)cc1 ZINC000171958643 432186373 /nfs/dbraw/zinc/18/63/73/432186373.db2.gz COMYTVLBASURPQ-GOSISDBHSA-N 0 0 316.445 3.252 20 10 DGCDRN CCN(C[C@@H](O)COCc1cccs1)c1ccc(OC)cc1 ZINC000269653699 432192541 /nfs/dbraw/zinc/19/25/41/432192541.db2.gz VSXYDLRIXUDIGD-OAHLLOKOSA-N 0 0 321.442 3.161 20 10 DGCDRN Cc1ccc(CC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000173201230 228279140 /nfs/dbraw/zinc/27/91/40/228279140.db2.gz CSOJLLRJTBHGPV-UHFFFAOYSA-N 0 0 310.397 3.029 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000179621338 228352577 /nfs/dbraw/zinc/35/25/77/228352577.db2.gz PAWXITJXJSSBFS-UHFFFAOYSA-N 0 0 318.804 3.073 20 10 DGCDRN FC(F)Oc1ccc2c(c1)CCCN2CCCn1ccnc1 ZINC000182878128 228370063 /nfs/dbraw/zinc/37/00/63/228370063.db2.gz RHWDROPCQQFXJT-UHFFFAOYSA-N 0 0 307.344 3.327 20 10 DGCDRN Cc1cc2c(NCc3ccc(N4CCCC4)cc3)nccn2n1 ZINC000185752263 228397012 /nfs/dbraw/zinc/39/70/12/228397012.db2.gz XDJVEISCDRQJQM-UHFFFAOYSA-N 0 0 307.401 3.250 20 10 DGCDRN COc1ccc(O)c(CNc2cc(C(=O)N(C)C)ccc2C)c1 ZINC000237206528 228615629 /nfs/dbraw/zinc/61/56/29/228615629.db2.gz DQSBOBOEQANVDB-UHFFFAOYSA-N 0 0 314.385 3.023 20 10 DGCDRN Cc1cc(-c2nc([C@H]3CCCO3)no2)c(C)n1-c1ccccn1 ZINC000274166970 228699074 /nfs/dbraw/zinc/69/90/74/228699074.db2.gz OJQWYHBIJDFGQY-CQSZACIVSA-N 0 0 310.357 3.391 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCc1cscn1 ZINC000348661579 229204827 /nfs/dbraw/zinc/20/48/27/229204827.db2.gz OSIVMVROSBDIDJ-UHFFFAOYSA-N 0 0 313.426 3.192 20 10 DGCDRN Cc1onc(-c2cccnc2)c1C(=O)N1CCc2cccc(F)c21 ZINC000355014649 229301806 /nfs/dbraw/zinc/30/18/06/229301806.db2.gz JTMDSRQAXNGEQY-UHFFFAOYSA-N 0 0 323.327 3.387 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNc1cc(N2CCCC2)ncn1 ZINC000359837521 229384293 /nfs/dbraw/zinc/38/42/93/229384293.db2.gz OGMMQFVHPFHYJL-UHFFFAOYSA-N 0 0 321.428 3.489 20 10 DGCDRN CCOc1ncc(C(=O)N(C)Cc2ccccc2O)cc1Cl ZINC000112393229 431273108 /nfs/dbraw/zinc/27/31/08/431273108.db2.gz UEMULOGHSDHMNK-UHFFFAOYSA-N 0 0 320.776 3.112 20 10 DGCDRN Cc1nc(CN(Cc2ccccc2O)C[C@H]2CCCO2)cs1 ZINC000072952781 431359121 /nfs/dbraw/zinc/35/91/21/431359121.db2.gz FMUPWKWGLSGMPP-MRXNPFEDSA-N 0 0 318.442 3.338 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000116443164 431512602 /nfs/dbraw/zinc/51/26/02/431512602.db2.gz GCRYKMFFQJDCCN-OLZOCXBDSA-N 0 0 317.335 3.433 20 10 DGCDRN CC(C)[C@@]1(C)C[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000186200392 280121501 /nfs/dbraw/zinc/12/15/01/280121501.db2.gz ZRNUNENGKJJBTP-RDTXWAMCSA-N 0 0 302.418 3.160 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000018150454 431620386 /nfs/dbraw/zinc/62/03/86/431620386.db2.gz MQHMMNCZFRVLBA-UHFFFAOYSA-N 0 0 321.424 3.435 20 10 DGCDRN C[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)c1cccs1 ZINC000078091895 431639354 /nfs/dbraw/zinc/63/93/54/431639354.db2.gz UDDJHGKAKIAKAD-NSHDSACASA-N 0 0 306.406 3.373 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2ccnc(Cl)c2F)cc1 ZINC000120500710 431731869 /nfs/dbraw/zinc/73/18/69/431731869.db2.gz ZRNBOJBSBPAQCT-UHFFFAOYSA-N 0 0 321.783 3.212 20 10 DGCDRN CNc1c(Cl)ncnc1NCCCSc1nccs1 ZINC000124957930 431908891 /nfs/dbraw/zinc/90/88/91/431908891.db2.gz GOAYQISWDWEHGU-UHFFFAOYSA-N 0 0 315.855 3.223 20 10 DGCDRN Cc1cc(F)ccc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000125398048 431923535 /nfs/dbraw/zinc/92/35/35/431923535.db2.gz RCEBKQZQYYIPNL-UHFFFAOYSA-N 0 0 314.360 3.239 20 10 DGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)C1CCCCCC1 ZINC000101858521 431989095 /nfs/dbraw/zinc/98/90/95/431989095.db2.gz SYNGSYDLJQORLF-UHFFFAOYSA-N 0 0 316.445 3.110 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000191479890 432269057 /nfs/dbraw/zinc/26/90/57/432269057.db2.gz NIWMHTPQCKCTHB-ZWZTZDBGSA-N 0 0 311.784 3.232 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2c(s1)CCC2 ZINC000183483275 432297226 /nfs/dbraw/zinc/29/72/26/432297226.db2.gz HNZFYEVOAVQASI-JTQLQIEISA-N 0 0 317.410 3.009 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)CC1CCCC1 ZINC000183488530 432297354 /nfs/dbraw/zinc/29/73/54/432297354.db2.gz DRMJWRMBDCGDNN-QWHCGFSZSA-N 0 0 305.418 3.361 20 10 DGCDRN CCCn1c(C)nnc1CN1CCCCc2cc(OC)ccc21 ZINC000270857658 432297922 /nfs/dbraw/zinc/29/79/22/432297922.db2.gz JHOJAZWEVYECQN-UHFFFAOYSA-N 0 0 314.433 3.348 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)OCC(F)(F)F ZINC000173258843 432266582 /nfs/dbraw/zinc/26/65/82/432266582.db2.gz LZJHSYKGJVXMSS-UHFFFAOYSA-N 0 0 303.280 3.060 20 10 DGCDRN COc1cccc(CNc2cc(Cl)nc(C3CC3)n2)c1O ZINC000271176976 432344785 /nfs/dbraw/zinc/34/47/85/432344785.db2.gz LKRPOBJVXAAYQO-UHFFFAOYSA-N 0 0 305.765 3.334 20 10 DGCDRN C[C@@H](NCc1nncn1-c1ccccc1)c1ccc(N(C)C)cc1 ZINC000152642610 432345146 /nfs/dbraw/zinc/34/51/46/432345146.db2.gz XESVLEMQZOHSAN-OAHLLOKOSA-N 0 0 321.428 3.184 20 10 DGCDRN Cc1cc(C)cc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000152980403 432374241 /nfs/dbraw/zinc/37/42/41/432374241.db2.gz VTLDHYFAQIYIGG-CYBMUJFWSA-N 0 0 314.385 3.467 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000174953898 432384078 /nfs/dbraw/zinc/38/40/78/432384078.db2.gz VRFWQTWWCQEFEA-UHFFFAOYSA-N 0 0 315.417 3.465 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000253352175 432391518 /nfs/dbraw/zinc/39/15/18/432391518.db2.gz NIWMHTPQCKCTHB-TZTCFGBESA-N 0 0 311.784 3.232 20 10 DGCDRN CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000271233938 432359078 /nfs/dbraw/zinc/35/90/78/432359078.db2.gz CWHZSMZKBOQJGL-QZTJIDSGSA-N 0 0 314.429 3.434 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)CCC1CC1 ZINC000271282736 432368004 /nfs/dbraw/zinc/36/80/04/432368004.db2.gz QVFOKXAKIZKMFA-UHFFFAOYSA-N 0 0 324.490 3.093 20 10 DGCDRN COc1ccc(O)c(CNc2ccc(OCC(C)(C)O)cc2)c1 ZINC000271912517 432428057 /nfs/dbraw/zinc/42/80/57/432428057.db2.gz MQDQFQHPZLYZCZ-UHFFFAOYSA-N 0 0 317.385 3.163 20 10 DGCDRN COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(OC)c(OC)c2)c1 ZINC000192915725 432428843 /nfs/dbraw/zinc/42/88/43/432428843.db2.gz GPVSWCFIUBZTAX-LBPRGKRZSA-N 0 0 317.385 3.269 20 10 DGCDRN c1ccn2c(c1)nnc2NCc1ccc(N2CCCCC2)cc1 ZINC000271964727 432432935 /nfs/dbraw/zinc/43/29/35/432432935.db2.gz UYRSZALHZIOXNA-UHFFFAOYSA-N 0 0 307.401 3.332 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1SCCc2sccc21 ZINC000175507262 432443168 /nfs/dbraw/zinc/44/31/68/432443168.db2.gz NDXGTNDWPSJPOJ-HNNXBMFYSA-N 0 0 319.451 3.443 20 10 DGCDRN CCN(C(=O)c1cccc(O)c1O)[C@@H](C)c1cccc(OC)c1 ZINC000193094055 432448286 /nfs/dbraw/zinc/44/82/86/432448286.db2.gz ADVJFHOGMRHLNZ-LBPRGKRZSA-N 0 0 315.369 3.330 20 10 DGCDRN CC[C@@H]1CCCC[C@@H]1OCC(=O)NCc1cccc(OC)c1O ZINC000184714738 432425153 /nfs/dbraw/zinc/42/51/53/432425153.db2.gz URWJUNXSLMVQPC-HIFRSBDPSA-N 0 0 321.417 3.002 20 10 DGCDRN COc1ccc(O)c(C[NH2+][C@@H](C)[C@@H](OC)c2ccc(F)cc2)c1 ZINC000271850131 432425898 /nfs/dbraw/zinc/42/58/98/432425898.db2.gz SWSOWQVVIZJRFY-KPZWWZAWSA-N 0 0 319.376 3.406 20 10 DGCDRN Nc1ccc(CCNC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000262139176 432477580 /nfs/dbraw/zinc/47/75/80/432477580.db2.gz MFZZSFPOBNLRFO-STQMWFEESA-N 0 0 314.351 3.296 20 10 DGCDRN COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000193502704 432478217 /nfs/dbraw/zinc/47/82/17/432478217.db2.gz ZRSQCUWWVFOMBE-GZMMTYOYSA-N 0 0 318.200 3.130 20 10 DGCDRN CC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000185338020 432492199 /nfs/dbraw/zinc/49/21/99/432492199.db2.gz CSIVZOCMIVJCGM-LBPRGKRZSA-N 0 0 316.376 3.383 20 10 DGCDRN Cc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000185464171 432502100 /nfs/dbraw/zinc/50/21/00/432502100.db2.gz BWUFORWYRUTNCC-GOEBONIOSA-N 0 0 324.424 3.436 20 10 DGCDRN C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ccc(F)cc1[O-] ZINC000185525355 432508552 /nfs/dbraw/zinc/50/85/52/432508552.db2.gz ANUYZHYPJAYBSM-ZFWWWQNUSA-N 0 0 303.377 3.348 20 10 DGCDRN COc1cccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1O ZINC000155181690 432542367 /nfs/dbraw/zinc/54/23/67/432542367.db2.gz BAFKNCAAUMSJGW-UHFFFAOYSA-N 0 0 300.402 3.099 20 10 DGCDRN CN(C)c1ccc(C[N@H+](C)Cc2cnn(C(C)(C)C)c2)cc1 ZINC000155199230 432544487 /nfs/dbraw/zinc/54/44/87/432544487.db2.gz OURNBXKEJOLQBQ-UHFFFAOYSA-N 0 0 300.450 3.336 20 10 DGCDRN Cc1nc(Cl)ccc1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000194688055 432568952 /nfs/dbraw/zinc/56/89/52/432568952.db2.gz KWOYVCMKXTZHQG-UHFFFAOYSA-N 0 0 318.808 3.431 20 10 DGCDRN CCn1cnnc1C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000273435793 432599497 /nfs/dbraw/zinc/59/94/97/432599497.db2.gz WZGBFDDPXDOTDW-MRVPVSSYSA-N 0 0 315.204 3.161 20 10 DGCDRN CCOc1cccc(CNc2ccc(OC3COC3)cc2)c1O ZINC000186504256 432602898 /nfs/dbraw/zinc/60/28/98/432602898.db2.gz CSENZIHACNOHMU-UHFFFAOYSA-N 0 0 315.369 3.181 20 10 DGCDRN CSC1(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)CCC1 ZINC000195105098 432604640 /nfs/dbraw/zinc/60/46/40/432604640.db2.gz FGBNQHOMRGQCLD-UHFFFAOYSA-N 0 0 321.490 3.180 20 10 DGCDRN Cc1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2)c(O)c1O ZINC000177667042 432647949 /nfs/dbraw/zinc/64/79/49/432647949.db2.gz ZDBSOZGLJQAJKZ-OAHLLOKOSA-N 0 0 311.381 3.254 20 10 DGCDRN COc1cccc(CNC(=O)C2(c3cccc(C)c3)CC2)c1O ZINC000264260411 432631485 /nfs/dbraw/zinc/63/14/85/432631485.db2.gz JEEAMWBGLVQZKH-UHFFFAOYSA-N 0 0 311.381 3.057 20 10 DGCDRN C=Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000274166475 432637234 /nfs/dbraw/zinc/63/72/34/432637234.db2.gz IFTQSSSYTBXORW-UHFFFAOYSA-N 0 0 322.408 3.096 20 10 DGCDRN C[C@H]1CCN(C(=O)c2cccc(O)c2O)[C@@H](c2ccco2)C1 ZINC000187157597 432650068 /nfs/dbraw/zinc/65/00/68/432650068.db2.gz JWBDRVNOCFDWHH-WCQYABFASA-N 0 0 301.342 3.304 20 10 DGCDRN COc1cc(Cl)cc(CNc2ccc(CCO)cc2)c1O ZINC000228668186 432719104 /nfs/dbraw/zinc/71/91/04/432719104.db2.gz NJXJTQKCBONUAE-UHFFFAOYSA-N 0 0 307.777 3.201 20 10 DGCDRN Cc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])c1 ZINC000187798197 432686522 /nfs/dbraw/zinc/68/65/22/432686522.db2.gz HFQZIYWHHRVICV-XHDPSFHLSA-N 0 0 307.340 3.363 20 10 DGCDRN CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187806207 432686573 /nfs/dbraw/zinc/68/65/73/432686573.db2.gz GNOBSLMEPCDPTE-SNVBAGLBSA-N 0 0 323.387 3.380 20 10 DGCDRN CC(C)[C@H]1CCCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000265954137 432749831 /nfs/dbraw/zinc/74/98/31/432749831.db2.gz VDCKFFXPGVNQLH-GOSISDBHSA-N 0 0 313.445 3.393 20 10 DGCDRN CCS[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)C(C)C ZINC000188908048 432752659 /nfs/dbraw/zinc/75/26/59/432752659.db2.gz PLZBEEWRKYINKV-MRXNPFEDSA-N 0 0 322.474 3.256 20 10 DGCDRN CC[C@H](C)CC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000189147525 432766768 /nfs/dbraw/zinc/76/67/68/432766768.db2.gz CTVDHAPBEVSIKE-HNNXBMFYSA-N 0 0 304.434 3.170 20 10 DGCDRN COc1ccccc1CN(C(=O)Cc1ccc(N)cc1)C1CC1 ZINC000237159482 432779082 /nfs/dbraw/zinc/77/90/82/432779082.db2.gz OCKYSPCIWJSUBI-UHFFFAOYSA-N 0 0 310.397 3.011 20 10 DGCDRN CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187754890 288634407 /nfs/dbraw/zinc/63/44/07/288634407.db2.gz DDANUTCSZLZXBW-CABZTGNLSA-N 0 0 322.359 3.010 20 10 DGCDRN CCN(C[C@@H]1CC2(CCC2)C(=O)O1)c1ccc(OC)c(OC)c1 ZINC000277010909 432829349 /nfs/dbraw/zinc/82/93/49/432829349.db2.gz POVFGYBIPSKQPA-AWEZNQCLSA-N 0 0 319.401 3.016 20 10 DGCDRN C[C@H](CCc1ccccc1F)C(=O)NCCc1ccc(N)cc1 ZINC000237523792 432790613 /nfs/dbraw/zinc/79/06/13/432790613.db2.gz HGANKXAODZBADT-CQSZACIVSA-N 0 0 314.404 3.336 20 10 DGCDRN CC(C)[C@H](C)CC(=O)NCc1cccc(Br)c1O ZINC000277558615 432860319 /nfs/dbraw/zinc/86/03/19/432860319.db2.gz PCRLBIQHGJKROC-SNVBAGLBSA-N 0 0 314.223 3.453 20 10 DGCDRN CC[C@H]1CC[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)O1 ZINC000268328170 432863875 /nfs/dbraw/zinc/86/38/75/432863875.db2.gz MNEJWQSOZTVIGS-ZWKOTPCHSA-N 0 0 316.445 3.201 20 10 DGCDRN CN(C)c1ccc(CNCc2nnc(C(C)(C)C)s2)cc1F ZINC000268150062 432850358 /nfs/dbraw/zinc/85/03/58/432850358.db2.gz AWXWYFWCNGHTHC-UHFFFAOYSA-N 0 0 322.453 3.331 20 10 DGCDRN CC[C@@H](C)c1nnc([C@@H](C)NCc2ccc(OC)c(C)c2)[nH]1 ZINC000277489533 432854651 /nfs/dbraw/zinc/85/46/51/432854651.db2.gz UCYXNTCDEPXISY-DGCLKSJQSA-N 0 0 302.422 3.486 20 10 DGCDRN O=C(N[C@@H]1CCCc2sccc21)c1c(F)ccc(O)c1O ZINC000296432731 432907288 /nfs/dbraw/zinc/90/72/88/432907288.db2.gz YOYVTNYXVHVPKV-SNVBAGLBSA-N 0 0 307.346 3.106 20 10 DGCDRN Oc1ccccc1CN(C[C@H]1CCCO1)c1cncc(Cl)n1 ZINC000278850052 432907797 /nfs/dbraw/zinc/90/77/97/432907797.db2.gz LSSLNSCRDLLWRJ-CYBMUJFWSA-N 0 0 319.792 3.021 20 10 DGCDRN Cc1nnc(NCc2ccc(N(C)C)cc2C(F)(F)F)o1 ZINC000280025928 432999071 /nfs/dbraw/zinc/99/90/71/432999071.db2.gz KJUFISOBLBXDEL-UHFFFAOYSA-N 0 0 300.284 3.075 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCCc3n[nH]cc32)cc1 ZINC000279990658 432999386 /nfs/dbraw/zinc/99/93/86/432999386.db2.gz ARKFJIPXIIZLGT-UHFFFAOYSA-N 0 0 320.396 3.410 20 10 DGCDRN CCCOc1ccc(CNc2cccc3c2COC3=O)c(O)c1 ZINC000290181961 433007125 /nfs/dbraw/zinc/00/71/25/433007125.db2.gz NWENNOCAYZRDFV-UHFFFAOYSA-N 0 0 313.353 3.464 20 10 DGCDRN CCCc1ccc(S(=O)(=O)Nc2ccc(O)c(OC)c2)cc1 ZINC000280662866 433128764 /nfs/dbraw/zinc/12/87/64/433128764.db2.gz XPUSAJZCONXROI-UHFFFAOYSA-N 0 0 321.398 3.154 20 10 DGCDRN C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000290587009 433106343 /nfs/dbraw/zinc/10/63/43/433106343.db2.gz VAXYGNJOAAFNHZ-HZMBPMFUSA-N 0 0 317.260 3.471 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)C(C)(C)C(C)C)CC2)cc1 ZINC000373688742 433160091 /nfs/dbraw/zinc/16/00/91/433160091.db2.gz WHSQLEOAYXEAJM-UHFFFAOYSA-N 0 0 318.461 3.416 20 10 DGCDRN CC(C)c1occc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000280759888 433163174 /nfs/dbraw/zinc/16/31/74/433163174.db2.gz HYRYXCICEHYPNQ-NSHDSACASA-N 0 0 303.358 3.175 20 10 DGCDRN COCCCCc1cccnc1NCc1cccc(OC)c1O ZINC000291040283 433216051 /nfs/dbraw/zinc/21/60/51/433216051.db2.gz GMDOIUNEHODYKB-UHFFFAOYSA-N 0 0 316.401 3.377 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000291692061 433317078 /nfs/dbraw/zinc/31/70/78/433317078.db2.gz YFFMVJNLVLWSHH-MAUKXSAKSA-N 0 0 317.816 3.301 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)NCC1CC(F)(F)C1 ZINC000291576275 433274063 /nfs/dbraw/zinc/27/40/63/433274063.db2.gz FMOKHXICORRVRC-UHFFFAOYSA-N 0 0 323.387 3.131 20 10 DGCDRN CCCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC ZINC000281222330 433275973 /nfs/dbraw/zinc/27/59/73/433275973.db2.gz BMTMBEQYHPOQPU-UKTHLTGXSA-N 0 0 323.439 3.315 20 10 DGCDRN CC(=O)CCCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000299230587 433350646 /nfs/dbraw/zinc/35/06/46/433350646.db2.gz DKIUQMSIQRJUID-UHFFFAOYSA-N 0 0 302.418 3.003 20 10 DGCDRN C[C@H]1CC=CC[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000341345775 290366261 /nfs/dbraw/zinc/36/62/61/290366261.db2.gz AYNOAXULRLYTSY-DZGCQCFKSA-N 0 0 300.402 3.080 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1occ2c1CCC2 ZINC000355446344 433546365 /nfs/dbraw/zinc/54/63/65/433546365.db2.gz YFKCCTKLRRZTNU-UHFFFAOYSA-N 0 0 308.381 3.498 20 10 DGCDRN COc1ccc(O)c([C@@H](C)Nc2ccc([N+](=O)[O-])c(C)n2)c1 ZINC000301625630 433645740 /nfs/dbraw/zinc/64/57/40/433645740.db2.gz HCGZBYAUBNVPJE-SECBINFHSA-N 0 0 303.318 3.186 20 10 DGCDRN Cc1nccnc1CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000292967547 433604687 /nfs/dbraw/zinc/60/46/87/433604687.db2.gz KAKAAAAPQUCFBB-UHFFFAOYSA-N 0 0 312.200 3.130 20 10 DGCDRN C[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000282464060 433610088 /nfs/dbraw/zinc/61/00/88/433610088.db2.gz VTNMDWSXHBWEAS-WPCRTTGESA-N 0 0 322.257 3.261 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1ccc(F)c(F)c1[O-] ZINC000282552663 433616316 /nfs/dbraw/zinc/61/63/16/433616316.db2.gz XIZHIDGLKOVDGZ-NOZJJQNGSA-N 0 0 307.344 3.132 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1oc(CC)nc1C ZINC000293407406 433727707 /nfs/dbraw/zinc/72/77/07/433727707.db2.gz OQXXDZMAWPIYAS-UHFFFAOYSA-N 0 0 302.374 3.303 20 10 DGCDRN c1csc(Sc2ccc3nnc(-c4ccsc4)n3n2)n1 ZINC000302277375 433821352 /nfs/dbraw/zinc/82/13/52/433821352.db2.gz ICFBGKYTUTWTLD-UHFFFAOYSA-N 0 0 317.424 3.461 20 10 DGCDRN CN(Cc1ccccc1O)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000302610446 433827744 /nfs/dbraw/zinc/82/77/44/433827744.db2.gz DWVLIXYSSUVHST-UHFFFAOYSA-N 0 0 309.325 3.485 20 10 DGCDRN CCN(Cc1ccc(-n2ccnc2)nc1)c1ccc(OC)cc1 ZINC000363315892 434019591 /nfs/dbraw/zinc/01/95/91/434019591.db2.gz ATQATOBIWIITSV-UHFFFAOYSA-N 0 0 308.385 3.302 20 10 DGCDRN CN1CCCc2cc(CNCc3c(F)ccc(O)c3F)ccc21 ZINC000294440006 434114957 /nfs/dbraw/zinc/11/49/57/434114957.db2.gz XTJHROAUUHNDOZ-UHFFFAOYSA-N 0 0 318.367 3.343 20 10 DGCDRN Cc1cc(C)c([C@@H](C)Nc2ccc(OCC(N)=O)cc2)c(O)c1 ZINC000294590782 434124558 /nfs/dbraw/zinc/12/45/58/434124558.db2.gz CUDQZMBIXFFCPG-CYBMUJFWSA-N 0 0 314.385 3.046 20 10 DGCDRN COc1ccc(C(=O)NCc2c(C)c3ccccc3n2C)c(O)c1 ZINC000436846630 434136399 /nfs/dbraw/zinc/13/63/99/434136399.db2.gz IELAHTHBQIWJPS-UHFFFAOYSA-N 0 0 324.380 3.131 20 10 DGCDRN COc1cc(O)c(CNc2cncc(Cl)c2C)cc1OC ZINC000295104624 434200334 /nfs/dbraw/zinc/20/03/34/434200334.db2.gz KTYKTATZSPCRIJ-UHFFFAOYSA-N 0 0 308.765 3.378 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC1CC(c2ccccc2)C1 ZINC000378546768 434217420 /nfs/dbraw/zinc/21/74/20/434217420.db2.gz HTDVFBIFSBXYBE-VQHVLOKHSA-N 0 0 309.365 3.173 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000365260152 434296762 /nfs/dbraw/zinc/29/67/62/434296762.db2.gz SNJAXTBBISBYLG-JTQLQIEISA-N 0 0 309.772 3.287 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CCCN1c1ccccc1 ZINC000365506407 434298799 /nfs/dbraw/zinc/29/87/99/434298799.db2.gz HSHOUSASRQRYMN-QGZVFWFLSA-N 0 0 310.397 3.020 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCC[C@H](Cc2ccccc2)C1 ZINC000366150889 434343726 /nfs/dbraw/zinc/34/37/26/434343726.db2.gz GCLFOKKAMYHLER-OAHLLOKOSA-N 0 0 311.381 3.193 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)CCCCO)c(C)n1-c1ccccc1 ZINC000295419523 434352132 /nfs/dbraw/zinc/35/21/32/434352132.db2.gz IQKQZWMJMTYRHR-CQSZACIVSA-N 0 0 314.429 3.375 20 10 DGCDRN COc1ccc(CNC(=O)[C@@H]2C[C@@H]2c2sccc2C)c(O)c1 ZINC000366543039 434445796 /nfs/dbraw/zinc/44/57/96/434445796.db2.gz ZDVXPFIYWUWFCK-UONOGXRCSA-N 0 0 317.410 3.191 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1ccc(F)cc1[O-] ZINC000287675883 434423869 /nfs/dbraw/zinc/42/38/69/434423869.db2.gz VZPUOQPYEZOQOV-SWLSCSKDSA-N 0 0 303.381 3.031 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCn2nccc21 ZINC000367509006 434550712 /nfs/dbraw/zinc/55/07/12/434550712.db2.gz XQIFFUBQYZAZHB-UHFFFAOYSA-N 0 0 312.398 3.013 20 10 DGCDRN C[C@H]1CCN(C(=O)/C=C\c2cncc(F)c2)c2c(O)cccc21 ZINC000492613105 299912966 /nfs/dbraw/zinc/91/29/66/299912966.db2.gz CEMQBGOWOXHRQK-FJOGCWAESA-N 0 0 312.344 3.480 20 10 DGCDRN Cc1nc([C@H]2CCCCN2Cc2ccc(N(C)C)cc2)no1 ZINC000371404286 434692492 /nfs/dbraw/zinc/69/24/92/434692492.db2.gz KUTNQRVXAPMFNX-MRXNPFEDSA-N 0 0 300.406 3.171 20 10 DGCDRN COc1cc(C)cnc1C(=O)NCc1c(C)c2ccccc2n1C ZINC000348697222 533694047 /nfs/dbraw/zinc/69/40/47/533694047.db2.gz HMOFIFCTBIBBRY-UHFFFAOYSA-N 0 0 323.396 3.129 20 10 DGCDRN Cc1cccnc1N(C)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000491981456 434893991 /nfs/dbraw/zinc/89/39/91/434893991.db2.gz HYXZSBCQQKLZPI-SOFGYWHQSA-N 0 0 315.304 3.114 20 10 DGCDRN CN(C(=O)/C=C\c1ccccc1-n1cccn1)c1ncccc1F ZINC000492047517 434905866 /nfs/dbraw/zinc/90/58/66/434905866.db2.gz QKTBUFFRQNFTBK-KTKRTIGZSA-N 0 0 322.343 3.083 20 10 DGCDRN O=C(/C=C\c1cnccn1)N1CC2(CCCC2)c2ccccc21 ZINC000492057257 434906573 /nfs/dbraw/zinc/90/65/73/434906573.db2.gz KZUJQORMQVSSMH-FPLPWBNLSA-N 0 0 305.381 3.348 20 10 DGCDRN O=C(/C=C\c1cnccn1)N(CC1CCCCC1)c1ccccn1 ZINC000492239521 434941742 /nfs/dbraw/zinc/94/17/42/434941742.db2.gz OHEIYABZBNCTAI-KTKRTIGZSA-N 0 0 322.412 3.498 20 10 DGCDRN CN(C(=O)/C=C/c1cnccn1)c1c(Cl)cccc1Cl ZINC000492325305 434962028 /nfs/dbraw/zinc/96/20/28/434962028.db2.gz UNSBACKPQJVRFT-AATRIKPKSA-N 0 0 308.168 3.460 20 10 DGCDRN CCN(C(=O)/C=C/c1c(C)nn(C)c1Cl)c1ncccc1C ZINC000492563859 435013619 /nfs/dbraw/zinc/01/36/19/435013619.db2.gz JBXYCGYNVVLIOM-CMDGGOBGSA-N 0 0 318.808 3.152 20 10 DGCDRN Cc1cocc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000528881709 435030530 /nfs/dbraw/zinc/03/05/30/435030530.db2.gz JJHWIWAMANUNSE-OAHLLOKOSA-N 0 0 315.369 3.115 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C\c2scnc2C)c(OC)c1 ZINC000492653729 435031182 /nfs/dbraw/zinc/03/11/82/435031182.db2.gz RWDBGBXNFFCJJB-FPLPWBNLSA-N 0 0 318.398 3.145 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)N(C[C@H]1CCCO1)c1ccncc1 ZINC000492496091 434996185 /nfs/dbraw/zinc/99/61/85/434996185.db2.gz ZTQXBVUFBLENDA-SHCNBLLESA-N 0 0 323.396 3.010 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@@H]1C(F)F ZINC000574882263 435003814 /nfs/dbraw/zinc/00/38/14/435003814.db2.gz NNYTZBVMRVYXIE-CQSZACIVSA-N 0 0 321.371 3.426 20 10 DGCDRN CO[C@H]1Cc2ccccc2N(C(=O)/C=C/c2ccc(C)nc2)C1 ZINC000492763804 435046231 /nfs/dbraw/zinc/04/62/31/435046231.db2.gz JNIALBWDNZGAKW-FVNWOWOISA-N 0 0 308.381 3.008 20 10 DGCDRN CO[C@H]1Cc2ccccc2N(C(=O)/C=C\c2ccc(C)nc2)C1 ZINC000492763805 435046454 /nfs/dbraw/zinc/04/64/54/435046454.db2.gz JNIALBWDNZGAKW-IBSYWUHOSA-N 0 0 308.381 3.008 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)N(C)c1cnc2ccccc2n1 ZINC000493074693 435103580 /nfs/dbraw/zinc/10/35/80/435103580.db2.gz VJDXMSKJQBXXIF-BQYQJAHWSA-N 0 0 304.353 3.009 20 10 DGCDRN CCOc1nccnc1N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000540970822 435631106 /nfs/dbraw/zinc/63/11/06/435631106.db2.gz RXPCAQMSRPFVIY-UHFFFAOYSA-N 0 0 321.384 3.045 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC000649788740 435703999 /nfs/dbraw/zinc/70/39/99/435703999.db2.gz DWWCSNMSDYMBPV-HZPDHXFCSA-N 0 0 314.429 3.304 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000649788898 435704735 /nfs/dbraw/zinc/70/47/35/435704735.db2.gz GZQXXJFPYWPMPW-IJEWVQPXSA-N 0 0 312.413 3.080 20 10 DGCDRN O=C(c1cccc2c1CC[NH2+]C2)N(CC1CC1)c1ccccc1 ZINC000662639699 436373179 /nfs/dbraw/zinc/37/31/79/436373179.db2.gz KUCGRHKWRHGMFW-UHFFFAOYSA-N 0 0 306.409 3.389 20 10 DGCDRN Cn1nccc1[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000368591825 303074418 /nfs/dbraw/zinc/07/44/18/303074418.db2.gz NACZGARUVJILCT-GFCCVEGCSA-N 0 0 305.809 3.159 20 10 DGCDRN CCOC1(C(=O)NCc2c(C)c3ccccc3n2C)CCCC1 ZINC000556438300 331704555 /nfs/dbraw/zinc/70/45/55/331704555.db2.gz XIAHEFUZYSTVRD-UHFFFAOYSA-N 0 0 314.429 3.452 20 10 DGCDRN C[C@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccc(F)c(F)c1[O-] ZINC000187733867 333237009 /nfs/dbraw/zinc/23/70/09/333237009.db2.gz XLQPATHLVOZNRW-VIFPVBQESA-N 0 0 301.333 3.053 20 10 DGCDRN COc1cc(OC)cc(N(C)C(=O)/C=C/c2cncc(C)c2)c1 ZINC000188233390 333361193 /nfs/dbraw/zinc/36/11/93/333361193.db2.gz MPMFCQVQRMBLPH-AATRIKPKSA-N 0 0 312.369 3.083 20 10 DGCDRN CN(C(=O)/C=C/c1cnc2ccccc2n1)c1ccccc1F ZINC000102253288 334717087 /nfs/dbraw/zinc/71/70/87/334717087.db2.gz YDNGZHWAHGGJRC-ZHACJKMWSA-N 0 0 307.328 3.445 20 10 DGCDRN CC(C)OC(=O)c1cccnc1NCc1ccc(N(C)C)cc1 ZINC000302227798 336355050 /nfs/dbraw/zinc/35/50/50/336355050.db2.gz QLDMVKRPLZUJFQ-UHFFFAOYSA-N 0 0 313.401 3.325 20 10 DGCDRN CCN(CC)c1ccc(CNc2nccn3nc(C)cc23)cc1 ZINC000302266320 336356464 /nfs/dbraw/zinc/35/64/64/336356464.db2.gz FQFLDZKDRQPKBP-UHFFFAOYSA-N 0 0 309.417 3.496 20 10 DGCDRN CC1(C)COc2cc(NCc3cc4c(cc3O)OCO4)ccc21 ZINC000527741783 337760707 /nfs/dbraw/zinc/76/07/07/337760707.db2.gz AZLSVZGEXBBBLJ-UHFFFAOYSA-N 0 0 313.353 3.403 20 10 DGCDRN Cc1ncccc1/C=C\C(=O)N1C[C@@H]2CCCN2c2ccccc21 ZINC000492952272 339913315 /nfs/dbraw/zinc/91/33/15/339913315.db2.gz GSHNADNNBCWNOL-MQNTZWLQSA-N 0 0 319.408 3.419 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C(C)(C)c1ccccc1 ZINC000188904141 340523264 /nfs/dbraw/zinc/52/32/64/340523264.db2.gz VDQDLTZQZRAFBR-UHFFFAOYSA-N 0 0 324.424 3.456 20 10 DGCDRN COc1ccc(O)c(CNC(=O)CC2(c3ccccc3)CC2)c1 ZINC000528861244 340737379 /nfs/dbraw/zinc/73/73/79/340737379.db2.gz JRJKTMSHSMRQJL-UHFFFAOYSA-N 0 0 311.381 3.139 20 10 DGCDRN CCN(C(=O)/C=C/c1cnn(-c2ccccc2)c1)c1cccnc1 ZINC000068303954 340899116 /nfs/dbraw/zinc/89/91/16/340899116.db2.gz IIEKVDOZQZIZIH-ZHACJKMWSA-N 0 0 318.380 3.334 20 10 DGCDRN CCc1ccccc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000133257297 341167055 /nfs/dbraw/zinc/16/70/55/341167055.db2.gz GRDAOKYIVZUCAS-UHFFFAOYSA-N 0 0 310.397 3.354 20 10 DGCDRN Cc1ccc(CN(C)C(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000076405019 533856845 /nfs/dbraw/zinc/85/68/45/533856845.db2.gz XYGGYXWPTNEWAC-UHFFFAOYSA-N 0 0 317.458 3.464 20 10 DGCDRN C[C@H]1CN(C(=O)c2cccc(O)c2O)CC[C@@H]1c1ccccc1 ZINC000185737806 533882893 /nfs/dbraw/zinc/88/28/93/533882893.db2.gz LWIFLQVGEYJTTD-ZFWWWQNUSA-N 0 0 311.381 3.364 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1c(C)cc(C)[nH]c1=O ZINC000348660540 533970955 /nfs/dbraw/zinc/97/09/55/533970955.db2.gz MGOGQKPIXDJTCC-UHFFFAOYSA-N 0 0 323.396 3.134 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1CCCSC1 ZINC000355305324 533971055 /nfs/dbraw/zinc/97/10/55/533971055.db2.gz ZDQXUOJWOJPKAQ-ZDUSSCGKSA-N 0 0 302.443 3.246 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CSC[C@H]1C ZINC000346315770 533971090 /nfs/dbraw/zinc/97/10/90/533971090.db2.gz IPXGXFGNMOYXTD-RISCZKNCSA-N 0 0 317.458 3.037 20 10 DGCDRN Cc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c(C)c1 ZINC000173200851 534262008 /nfs/dbraw/zinc/26/20/08/534262008.db2.gz ACUZTIPWZSHIMA-UHFFFAOYSA-N 0 0 310.397 3.409 20 10 DGCDRN CC(C)[C@H](Cc1ccccc1)C(=O)NCc1ccc(O)c(O)c1 ZINC000158928555 519816751 /nfs/dbraw/zinc/81/67/51/519816751.db2.gz YIXOQKVFGBCFDX-INIZCTEOSA-N 0 0 313.397 3.229 20 10 DGCDRN CCCOCc1ccccc1CNC(=O)Cc1ccc(N)cc1 ZINC000236887866 520258504 /nfs/dbraw/zinc/25/85/04/520258504.db2.gz DPIMZHZWXIDVNQ-UHFFFAOYSA-N 0 0 312.413 3.054 20 10 DGCDRN CC1(C)CCC(=CC(=O)NCCc2ccc(O)c(O)c2)CC1 ZINC000157818325 520290182 /nfs/dbraw/zinc/29/01/82/520290182.db2.gz DXEGCJRLWVBWKI-UHFFFAOYSA-N 0 0 303.402 3.283 20 10 DGCDRN CC1CC(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000268054992 520903331 /nfs/dbraw/zinc/90/33/31/520903331.db2.gz RKYSZDPOIUIIDL-UHFFFAOYSA-N 0 0 301.434 3.225 20 10 DGCDRN CCCCc1nc(CN(C)c2ccc(OC)cc2OC)no1 ZINC000131857803 521289870 /nfs/dbraw/zinc/28/98/70/521289870.db2.gz LNIHVXIGJHDWQZ-UHFFFAOYSA-N 0 0 305.378 3.066 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC(=O)C[C@@H]1C ZINC000270658264 521318799 /nfs/dbraw/zinc/31/87/99/521318799.db2.gz SJUUBVDHHHMRBY-KBXCAEBGSA-N 0 0 316.445 3.106 20 10 DGCDRN CCN(Cc1csc(NC(C)=O)n1)c1ccc(OC)cc1 ZINC000266718074 521446712 /nfs/dbraw/zinc/44/67/12/521446712.db2.gz GSNUTVQSTWUKPP-UHFFFAOYSA-N 0 0 305.403 3.137 20 10 DGCDRN CCOC(C)(C)CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000188382495 521625637 /nfs/dbraw/zinc/62/56/37/521625637.db2.gz ZCDYJJZTMBULFO-UHFFFAOYSA-N 0 0 315.417 3.034 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC(=O)C[C@@H]1C ZINC000130413799 521689160 /nfs/dbraw/zinc/68/91/60/521689160.db2.gz SQVXDMYGPLFQAJ-XJKSGUPXSA-N 0 0 303.402 3.136 20 10 DGCDRN Cc1cnc(N[C@H](C)c2ccc(N3CCOCC3)cc2)nc1C ZINC000301858747 534591626 /nfs/dbraw/zinc/59/16/26/534591626.db2.gz DSHDQUSIYPUOJA-OAHLLOKOSA-N 0 0 312.417 3.103 20 10 DGCDRN COc1cc(N(C)Cc2nccn2C(C)C)cc(OC)c1OC ZINC000265976753 522621332 /nfs/dbraw/zinc/62/13/32/522621332.db2.gz BYYVMASWMSLSDY-UHFFFAOYSA-N 0 0 319.405 3.126 20 10 DGCDRN CN(CC1CCCC1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000127922872 522644226 /nfs/dbraw/zinc/64/42/26/522644226.db2.gz VQMNQZDNUGECRJ-UHFFFAOYSA-N 0 0 313.445 3.394 20 10 DGCDRN CC[C@@H](NC(=O)NCc1cccc(OC)c1O)c1ccccc1 ZINC000266669611 522732379 /nfs/dbraw/zinc/73/23/79/522732379.db2.gz AFNFMABBYVWYNE-OAHLLOKOSA-N 0 0 314.385 3.351 20 10 DGCDRN COC[C@H]1CCN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000266008141 522844677 /nfs/dbraw/zinc/84/46/77/522844677.db2.gz OOSQLIYCHJNPSF-AWEZNQCLSA-N 0 0 318.442 3.264 20 10 DGCDRN CCc1ocnc1C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000265695100 523027659 /nfs/dbraw/zinc/02/76/59/523027659.db2.gz BQOPCZYPRATOLW-UHFFFAOYSA-N 0 0 301.390 3.013 20 10 DGCDRN CC[C@@H]1CCCC[C@H]1OCC(=O)NCc1cccc(OC)c1O ZINC000184714775 523227467 /nfs/dbraw/zinc/22/74/67/523227467.db2.gz URWJUNXSLMVQPC-UKRRQHHQSA-N 0 0 321.417 3.002 20 10 DGCDRN CCn1cc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC000265530736 523385913 /nfs/dbraw/zinc/38/59/13/523385913.db2.gz PRBFFVMLEZVSLB-UHFFFAOYSA-N 0 0 300.189 3.205 20 10 DGCDRN CC[C@H](C)CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000189695769 523842620 /nfs/dbraw/zinc/84/26/20/523842620.db2.gz IWVCVXZERXKJRC-GOEBONIOSA-N 0 0 305.418 3.336 20 10 DGCDRN Cc1cc(C(=O)N[C@H]2CCCSC2)c(C)n1-c1ccccn1 ZINC000267196980 524151444 /nfs/dbraw/zinc/15/14/44/524151444.db2.gz CKQKYLUJSOGOTP-AWEZNQCLSA-N 0 0 315.442 3.115 20 10 DGCDRN C[C@@H](C(=O)NCCc1ccc(N)cc1)c1ccc(Cl)s1 ZINC000237471235 524191787 /nfs/dbraw/zinc/19/17/87/524191787.db2.gz YIRDISOMQLUFKD-SNVBAGLBSA-N 0 0 308.834 3.446 20 10 DGCDRN Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000191612113 524469991 /nfs/dbraw/zinc/46/99/91/524469991.db2.gz QGXZKQDQEJJSGE-XJKSGUPXSA-N 0 0 303.377 3.094 20 10 DGCDRN C[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])Cn1ccnc1 ZINC000237532679 524488032 /nfs/dbraw/zinc/48/80/32/524488032.db2.gz DKAKBZKBGUAUEN-SNVBAGLBSA-N 0 0 314.216 3.321 20 10 DGCDRN C[C@@H](NC(=O)Cc1ccc(N)cc1)c1cccc(N2CCCC2)c1 ZINC000237641459 525136342 /nfs/dbraw/zinc/13/63/42/525136342.db2.gz YLPNQIIZRLXYTG-OAHLLOKOSA-N 0 0 323.440 3.289 20 10 DGCDRN Cc1ccccc1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000127970491 525156340 /nfs/dbraw/zinc/15/63/40/525156340.db2.gz CJBVWWYDFAZXFL-UHFFFAOYSA-N 0 0 321.424 3.371 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccc(F)c(F)c1[O-] ZINC000191212816 525380363 /nfs/dbraw/zinc/38/03/63/525380363.db2.gz FNOLIBIMLKDDMQ-LKFCYVNXSA-N 0 0 311.303 3.194 20 10 DGCDRN CSC[C@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000265558710 525685944 /nfs/dbraw/zinc/68/59/44/525685944.db2.gz LCXNDMFGIZEDSU-ZDUSSCGKSA-N 0 0 321.490 3.178 20 10 DGCDRN Fc1cc(CNc2ccncc2Cl)ccc1N1CCOCC1 ZINC000176821522 526298827 /nfs/dbraw/zinc/29/88/27/526298827.db2.gz YJSZUUBBRTUJDP-UHFFFAOYSA-N 0 0 321.783 3.323 20 10 DGCDRN Oc1c(Br)cccc1CNc1nnc(C2CC2)o1 ZINC000181512265 526323820 /nfs/dbraw/zinc/32/38/20/526323820.db2.gz FDFLUNIFGLKYJP-UHFFFAOYSA-N 0 0 310.151 3.027 20 10 DGCDRN O=C(CC1CC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000266369642 526344952 /nfs/dbraw/zinc/34/49/52/526344952.db2.gz INAXKVKGXXIPQM-ZDUSSCGKSA-N 0 0 324.371 3.173 20 10 DGCDRN Cc1csc([C@H](C)CNC(=O)N(C)Cc2ccccc2O)n1 ZINC000186816053 526428170 /nfs/dbraw/zinc/42/81/70/526428170.db2.gz WNEQOBYIUBTTBB-LLVKDONJSA-N 0 0 319.430 3.102 20 10 DGCDRN Cc1csc([C@H]2COCCN2Cc2cc(C)ccc2O)n1 ZINC000190413386 526446676 /nfs/dbraw/zinc/44/66/76/526446676.db2.gz UOAJKQBLLQVYEX-CQSZACIVSA-N 0 0 304.415 3.039 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000182516367 526686496 /nfs/dbraw/zinc/68/64/96/526686496.db2.gz YXPOYPCNDYMSDO-ZNMIVQPWSA-N 0 0 303.402 3.321 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000182516406 526687138 /nfs/dbraw/zinc/68/71/38/526687138.db2.gz YXPOYPCNDYMSDO-KFWWJZLASA-N 0 0 303.402 3.321 20 10 DGCDRN Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(C)c(O)c2O)s1 ZINC000179485883 526741232 /nfs/dbraw/zinc/74/12/32/526741232.db2.gz BICAIUDSZFLONO-SNVBAGLBSA-N 0 0 320.414 3.313 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CCOCC23CCC3)c1O ZINC000135546595 527206456 /nfs/dbraw/zinc/20/64/56/527206456.db2.gz XJJRVCMSHFRCGQ-UHFFFAOYSA-N 0 0 309.793 3.003 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCC1(Cc2ccccc2)CC1 ZINC000181234859 527614408 /nfs/dbraw/zinc/61/44/08/527614408.db2.gz IWLRAHSPLSJTBI-VQHVLOKHSA-N 0 0 323.392 3.250 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ncc(F)cc1F ZINC000277203309 528147364 /nfs/dbraw/zinc/14/73/64/528147364.db2.gz WZQXWUZANHHHAZ-UHFFFAOYSA-N 0 0 306.312 3.118 20 10 DGCDRN CC(C)COc1ccc(CC(=O)NCc2ccc(N)cc2)cc1 ZINC000297148263 535223913 /nfs/dbraw/zinc/22/39/13/535223913.db2.gz INKTYIWVTXOOHM-UHFFFAOYSA-N 0 0 312.413 3.163 20 10 DGCDRN CCN(C(=O)/C=C/c1cncs1)c1ccc(OC)c(OC)c1 ZINC000281504870 535654859 /nfs/dbraw/zinc/65/48/59/535654859.db2.gz RVGGUDNNCFTXTG-SOFGYWHQSA-N 0 0 318.398 3.227 20 10 DGCDRN CCOC(=O)N1CCC([NH2+][C@@H](CC)c2ccc(F)cc2[O-])CC1 ZINC000285820297 535770140 /nfs/dbraw/zinc/77/01/40/535770140.db2.gz WHPYLQAWDJJBJP-HNNXBMFYSA-N 0 0 324.396 3.193 20 10 DGCDRN CC[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccc(F)cc1[O-] ZINC000286157931 535911230 /nfs/dbraw/zinc/91/12/30/535911230.db2.gz PSUYSWDNOOZUPU-RDJZCZTQSA-N 0 0 307.340 3.445 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccc(F)cc1[O-] ZINC000285524861 535934929 /nfs/dbraw/zinc/93/49/29/535934929.db2.gz BHIWLCYARCEWNN-XPKDYRNWSA-N 0 0 322.424 3.219 20 10 DGCDRN C[N@@H+]1CC[C@@H]2CCN(Cc3cc(Cl)cc(Cl)c3[O-])[C@@H]2C1 ZINC000272589085 536464575 /nfs/dbraw/zinc/46/45/75/536464575.db2.gz HQLLOZACRFTKTM-QMTHXVAHSA-N 0 0 315.244 3.225 20 10 DGCDRN COc1ccccc1CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273394859 537040238 /nfs/dbraw/zinc/04/02/38/537040238.db2.gz LPLLOTLZPUANIN-LBPRGKRZSA-N 0 0 316.357 3.202 20 10 DGCDRN Cc1ccc2c(c1)N(Cc1cn(C)nc1-c1cccnc1)CC2 ZINC000679581959 548922107 /nfs/dbraw/zinc/92/21/07/548922107.db2.gz BSVOXWLJNMFOLD-UHFFFAOYSA-N 0 0 304.397 3.353 20 10 DGCDRN CCc1cccc(CNCC(F)(F)C2(O)CCCCC2)c1O ZINC001659082404 1196342131 /nfs/dbraw/zinc/34/21/31/1196342131.db2.gz YDOFJAHNYINBRE-UHFFFAOYSA-N 0 0 313.388 3.375 20 10 DGCDRN O=C(NCCCc1c[nH]c2ccccc12)NCc1ccccc1O ZINC000730908582 574538231 /nfs/dbraw/zinc/53/82/31/574538231.db2.gz VKEHXVAGCNPEMA-UHFFFAOYSA-N 0 0 323.396 3.306 20 10 DGCDRN CCCNC(=S)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000730953440 574539214 /nfs/dbraw/zinc/53/92/14/574539214.db2.gz ZKZIGRFDUFRGNN-UHFFFAOYSA-N 0 0 305.491 3.297 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)COC2CCCC2)cc1F ZINC000731347509 574547585 /nfs/dbraw/zinc/54/75/85/574547585.db2.gz ZSWJYZSJWJFNLT-UHFFFAOYSA-N 0 0 322.424 3.247 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)C2CC2)cc1F ZINC000731364894 574547851 /nfs/dbraw/zinc/54/78/51/574547851.db2.gz RPSSAQYRYSEQDT-LBPRGKRZSA-N 0 0 307.413 3.270 20 10 DGCDRN COc1ccc2nc(NC(=O)C3=CC(=O)CS3)sc2c1 ZINC000731866635 574561162 /nfs/dbraw/zinc/56/11/62/574561162.db2.gz UXTYSHKVIGDPGR-UHFFFAOYSA-N 0 0 306.368 3.324 20 10 DGCDRN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000732275828 574569988 /nfs/dbraw/zinc/56/99/88/574569988.db2.gz CJCQNSZZZFFSDW-TZMCWYRMSA-N 0 0 316.426 3.019 20 10 DGCDRN O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)C1=CC(=O)CS1 ZINC000732276931 574570200 /nfs/dbraw/zinc/57/02/00/574570200.db2.gz WYWGROKRXWWGLC-DZGCQCFKSA-N 0 0 321.373 3.243 20 10 DGCDRN O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)C1=CC(=O)CS1 ZINC000732277528 574570254 /nfs/dbraw/zinc/57/02/54/574570254.db2.gz JQWFQISGTDXCLQ-CZUORRHYSA-N 0 0 317.410 3.351 20 10 DGCDRN CC(C)COC[C@@H](NC(=O)C1=CC(=O)CS1)c1ccco1 ZINC000732283172 574570573 /nfs/dbraw/zinc/57/05/73/574570573.db2.gz DSGRDGDRULQGHO-GFCCVEGCSA-N 0 0 309.387 3.190 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCCO[C@@H](c2ccccc2)C1 ZINC000732288358 574570721 /nfs/dbraw/zinc/57/07/21/574570721.db2.gz QNTKCJYKECPUOX-CQSZACIVSA-N 0 0 303.383 3.058 20 10 DGCDRN O=C(NC[C@H](O)c1ccc2ccccc2c1)C1=CC(=O)CS1 ZINC000732290785 574571165 /nfs/dbraw/zinc/57/11/65/574571165.db2.gz AYPTULDOSPMILM-HNNXBMFYSA-N 0 0 313.378 3.070 20 10 DGCDRN CCOc1ccc(C(C)=O)cc1COC(=O)C1=CC(=O)CS1 ZINC000732355017 574572346 /nfs/dbraw/zinc/57/23/46/574572346.db2.gz ZXDRVEAKTWBOJE-UHFFFAOYSA-N 0 0 320.366 3.412 20 10 DGCDRN Cc1cc(C)c2c(N)c(C(=O)OCC3CCOCC3)sc2n1 ZINC000733006724 574591521 /nfs/dbraw/zinc/59/15/21/574591521.db2.gz LEKJTTPVRKIRAS-UHFFFAOYSA-N 0 0 320.414 3.079 20 10 DGCDRN CC[C@H](OC1CCCC1)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000733362199 574617851 /nfs/dbraw/zinc/61/78/51/574617851.db2.gz IGKOKPWLHZZDKR-PXAZEXFGSA-N 0 0 321.417 3.316 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)Cc2cc(C)on2)cc1 ZINC000733915462 574643181 /nfs/dbraw/zinc/64/31/81/574643181.db2.gz NTWKSEQHDOEENN-UHFFFAOYSA-N 0 0 315.417 3.030 20 10 DGCDRN CCOc1ccc(N(CC)CC(=O)N(C)Cc2ccco2)cc1 ZINC000734147399 574651618 /nfs/dbraw/zinc/65/16/18/574651618.db2.gz PDYXEXJMAKLYML-UHFFFAOYSA-N 0 0 316.401 3.163 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2ccc3ccccc3c2O)c1 ZINC000734018684 574648142 /nfs/dbraw/zinc/64/81/42/574648142.db2.gz CAFSOLXNXUSZGH-UHFFFAOYSA-N 0 0 323.348 3.190 20 10 DGCDRN CC[C@@H]1CCCC[C@H]1NC(=O)NCc1cc(OC)ccc1O ZINC000734066464 574649637 /nfs/dbraw/zinc/64/96/37/574649637.db2.gz OQKCAFUXCKFRTA-IUODEOHRSA-N 0 0 306.406 3.169 20 10 DGCDRN COc1cc(C(=O)NCc2ccc(N(C)C)cc2C)ccc1C ZINC000734405065 574659531 /nfs/dbraw/zinc/65/95/31/574659531.db2.gz AGGWECOJLQQODN-UHFFFAOYSA-N 0 0 312.413 3.308 20 10 DGCDRN CCc1ncc(C(=O)NCc2ccc(N(C)C)cc2C)s1 ZINC000734404473 574659575 /nfs/dbraw/zinc/65/95/75/574659575.db2.gz GQDAEZOJZJQIHP-UHFFFAOYSA-N 0 0 303.431 3.010 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cccc2c1ccn2C ZINC000734471927 574663863 /nfs/dbraw/zinc/66/38/63/574663863.db2.gz WUBPDVPNOUEOCC-UHFFFAOYSA-N 0 0 321.424 3.483 20 10 DGCDRN CC[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000734687485 574672482 /nfs/dbraw/zinc/67/24/82/574672482.db2.gz DENNPEOACPPUGI-OAHLLOKOSA-N 0 0 303.450 3.393 20 10 DGCDRN COCCCCCOC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000735129846 574689731 /nfs/dbraw/zinc/68/97/31/574689731.db2.gz RJNQIQJQNDIOSL-UHFFFAOYSA-N 0 0 322.430 3.469 20 10 DGCDRN CCN1C(=O)/C(=C\c2occc2Br)SC1=S ZINC000735304033 574696338 /nfs/dbraw/zinc/69/63/38/574696338.db2.gz DEKGDSXXTNLPLA-VMPITWQZSA-N 0 0 318.217 3.263 20 10 DGCDRN CCN1C(=O)/C(=C/c2occc2Br)SC1=S ZINC000735304036 574696353 /nfs/dbraw/zinc/69/63/53/574696353.db2.gz DEKGDSXXTNLPLA-YVMONPNESA-N 0 0 318.217 3.263 20 10 DGCDRN Fc1cc(F)cc(NNC(=S)Nc2ccc3c(c2)OCO3)c1 ZINC000735237730 574693758 /nfs/dbraw/zinc/69/37/58/574693758.db2.gz GSJHWSGJEUOPML-UHFFFAOYSA-N 0 0 323.324 3.007 20 10 DGCDRN CCCC[N@H+](C)CC1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000735519512 574706095 /nfs/dbraw/zinc/70/60/95/574706095.db2.gz ASANVYWWIKSLDD-UHFFFAOYSA-N 0 0 310.463 3.038 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3ccc(Cl)cn3)ccc21 ZINC000736009638 574727108 /nfs/dbraw/zinc/72/71/08/574727108.db2.gz WGMBQBBGUPZZGT-UHFFFAOYSA-N 0 0 315.804 3.047 20 10 DGCDRN Cc1c(Cl)ccc2c1N(C(=O)/C=C\c1cnn(C)c1)CCC2 ZINC000736063707 574730296 /nfs/dbraw/zinc/73/02/96/574730296.db2.gz UJJQXZOPGGTZQN-YVMONPNESA-N 0 0 315.804 3.375 20 10 DGCDRN CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCCC[C@H]2CC(=O)[O-])c1 ZINC000736294684 574740356 /nfs/dbraw/zinc/74/03/56/574740356.db2.gz NWAIHJOWBNMLMQ-AWEZNQCLSA-N 0 0 321.417 3.225 20 10 DGCDRN Oc1ccccc1CN(C[C@H]1CCCO1)CC(F)(F)C(F)F ZINC000736618514 574760199 /nfs/dbraw/zinc/76/01/99/574760199.db2.gz FUHYZXFWJAWBQD-GFCCVEGCSA-N 0 0 321.314 3.274 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000736723867 574804032 /nfs/dbraw/zinc/80/40/32/574804032.db2.gz BKILABHFKKRACS-GFCCVEGCSA-N 0 0 305.374 3.298 20 10 DGCDRN CC[C@@H](COC)NC(=O)c1sccc1-n1c(C)ccc1C ZINC000737980445 574857888 /nfs/dbraw/zinc/85/78/88/574857888.db2.gz QPQYCJUQSQWCFB-ZDUSSCGKSA-N 0 0 306.431 3.310 20 10 DGCDRN CCN(CC)c1ccc(CN(C)[C@@H](C)c2nc(C)no2)cc1 ZINC000738299317 574864852 /nfs/dbraw/zinc/86/48/52/574864852.db2.gz NNKWIEGXEFFXFU-ZDUSSCGKSA-N 0 0 302.422 3.417 20 10 DGCDRN CCc1ocnc1C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000739722708 574911512 /nfs/dbraw/zinc/91/15/12/574911512.db2.gz WVRNFGCBMUQYCE-UHFFFAOYSA-N 0 0 319.380 3.152 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)N2c3ccccc3C[C@@H]2C)cc1 ZINC000739922921 574915954 /nfs/dbraw/zinc/91/59/54/574915954.db2.gz RCBJTRNVOVNZEQ-HNNXBMFYSA-N 0 0 324.424 3.499 20 10 DGCDRN O=C([O-])C[N@@H+](CCc1ccccc1)Cc1cc(Cl)ccc1O ZINC000739793600 574912298 /nfs/dbraw/zinc/91/22/98/574912298.db2.gz HVVKPKOSOANVQQ-UHFFFAOYSA-N 0 0 319.788 3.175 20 10 DGCDRN COc1cc(C)c(S(=O)(=O)Nc2ccc(O)cc2C)c(C)c1 ZINC000740701104 574939741 /nfs/dbraw/zinc/93/97/41/574939741.db2.gz RWHCYIGCIVSZMI-UHFFFAOYSA-N 0 0 321.398 3.127 20 10 DGCDRN O=C(Nc1cc(CCc2ccccc2)[nH]n1)C1=CC(=O)CS1 ZINC000740928578 574945930 /nfs/dbraw/zinc/94/59/30/574945930.db2.gz OWAMEPYQZPLQQL-UHFFFAOYSA-N 0 0 313.382 3.214 20 10 DGCDRN COc1ccc(N(CCOC[C@H]2CCCO2)CC(C)C)cc1 ZINC000741244563 574954354 /nfs/dbraw/zinc/95/43/54/574954354.db2.gz GUOMNFSSYAENPJ-GOSISDBHSA-N 0 0 307.434 3.353 20 10 DGCDRN CCOc1ccc([C@H]2Nc3ccc(C)cc3C(=O)N2C)c(O)c1 ZINC000741257323 574954612 /nfs/dbraw/zinc/95/46/12/574954612.db2.gz ITQJCAFOJFQJDV-KRWDZBQOSA-N 0 0 312.369 3.296 20 10 DGCDRN CCCOC(=O)[C@@H](C)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000741774398 574969285 /nfs/dbraw/zinc/96/92/85/574969285.db2.gz BGGMHAUFKKXMMN-MRXNPFEDSA-N 0 0 318.461 3.450 20 10 DGCDRN CN1CCCc2cc(CNC(=O)[C@H]3Cc4ccccc43)ccc21 ZINC000741914747 574976237 /nfs/dbraw/zinc/97/62/37/574976237.db2.gz KOIQUBBHECULPM-SFHVURJKSA-N 0 0 306.409 3.025 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1=CCCCO1 ZINC000742246503 574987513 /nfs/dbraw/zinc/98/75/13/574987513.db2.gz ZKQVIJNRFLCAEC-UHFFFAOYSA-N 0 0 302.418 3.184 20 10 DGCDRN CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1ccc(N(C)C)cc1 ZINC000742442984 575000563 /nfs/dbraw/zinc/00/05/63/575000563.db2.gz SCCIJXQWNWRRLA-KRWDZBQOSA-N 0 0 315.461 3.296 20 10 DGCDRN C[C@H](OCC1CC1)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000742468297 575001716 /nfs/dbraw/zinc/00/17/16/575001716.db2.gz BGYLBUUZDOHGLA-HNNXBMFYSA-N 0 0 316.445 3.108 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCC1CCOCC1 ZINC000742589210 575007950 /nfs/dbraw/zinc/00/79/50/575007950.db2.gz HEVCTCFQKBRTOF-UHFFFAOYSA-N 0 0 318.461 3.308 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C/c1cccs1 ZINC000742951939 575025543 /nfs/dbraw/zinc/02/55/43/575025543.db2.gz BRCABKQYQHQHOK-SOFGYWHQSA-N 0 0 314.410 3.253 20 10 DGCDRN C[C@H](CC(=O)c1ccccc1F)C(=O)NCc1ccccc1O ZINC000743328851 575043696 /nfs/dbraw/zinc/04/36/96/575043696.db2.gz WAOYTQRNEPUZEP-GFCCVEGCSA-N 0 0 315.344 3.057 20 10 DGCDRN O=C(NCc1ccccc1O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000743328811 575043779 /nfs/dbraw/zinc/04/37/79/575043779.db2.gz VPUMGGMPOSLVIV-STQMWFEESA-N 0 0 303.308 3.090 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2C[C@H](C)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000743461271 575053294 /nfs/dbraw/zinc/05/32/94/575053294.db2.gz XFFIAMGFYYJTHT-JKOXKOMZSA-N 0 0 318.373 3.406 20 10 DGCDRN Cc1cccc2c(CCNC(=O)C3=CC(=O)CS3)c[nH]c21 ZINC000743549353 575056655 /nfs/dbraw/zinc/05/66/55/575056655.db2.gz PLPBOHFQYBQQPE-UHFFFAOYSA-N 0 0 300.383 3.216 20 10 DGCDRN C[C@@H](NC(=O)C1=CC(=O)CS1)c1ccc(-n2cccn2)cc1 ZINC000743814850 575064471 /nfs/dbraw/zinc/06/44/71/575064471.db2.gz IGACHPIHSMUOAL-LLVKDONJSA-N 0 0 313.382 3.130 20 10 DGCDRN Cc1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)c(O)c1 ZINC000743716542 575062096 /nfs/dbraw/zinc/06/20/96/575062096.db2.gz RLLDXTSRAAEJHW-UHFFFAOYSA-N 0 0 311.381 3.215 20 10 DGCDRN CCc1nnc(-c2ccc(NC(=O)C3=CC(=O)CS3)cc2)o1 ZINC000743806307 575064148 /nfs/dbraw/zinc/06/41/48/575064148.db2.gz NSSIFKYURVWQLS-UHFFFAOYSA-N 0 0 315.354 3.318 20 10 DGCDRN COCc1cccc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000728983588 575199177 /nfs/dbraw/zinc/19/91/77/575199177.db2.gz BPFMKYJVTNARBF-LBPRGKRZSA-N 0 0 315.369 3.038 20 10 DGCDRN COCc1ccc(C(=O)N[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000728983722 575199216 /nfs/dbraw/zinc/19/92/16/575199216.db2.gz CZBYEGUMTGHFMS-GFCCVEGCSA-N 0 0 315.369 3.038 20 10 DGCDRN CCOc1ccc(C(=O)N[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000728984377 575199274 /nfs/dbraw/zinc/19/92/74/575199274.db2.gz PAAZUVZDAFXXLU-GFCCVEGCSA-N 0 0 315.369 3.291 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(F)c2F)c1 ZINC000728979525 575198844 /nfs/dbraw/zinc/19/88/44/575198844.db2.gz XWSWLORAGYHECL-SECBINFHSA-N 0 0 307.296 3.170 20 10 DGCDRN COc1ccc2c(c1)CCCN2C(=O)/C=C\c1cncc(F)c1 ZINC000729308004 575233338 /nfs/dbraw/zinc/23/33/38/575233338.db2.gz AQOVNLQPDJGGMP-DAXSKMNVSA-N 0 0 312.344 3.222 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C)c(C)c2O)c1 ZINC000729534774 575254844 /nfs/dbraw/zinc/25/48/44/575254844.db2.gz CVQFAVRGBRWEBJ-LBPRGKRZSA-N 0 0 315.369 3.214 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CCC[C@@H](C)CC2)c([N+](=O)[O-])c1 ZINC000745170379 575382042 /nfs/dbraw/zinc/38/20/42/575382042.db2.gz IJAMHUYATGLLNG-FWPCIQOSSA-N 0 0 318.373 3.407 20 10 DGCDRN CC[C@H]1C[C@@H](C)CN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000745839300 575420385 /nfs/dbraw/zinc/42/03/85/575420385.db2.gz WLPZWRCDENILFE-WBVHZDCISA-N 0 0 313.445 3.393 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCC1CC1 ZINC000745899117 575422004 /nfs/dbraw/zinc/42/20/04/575422004.db2.gz HODNZTGIRNSJHU-UHFFFAOYSA-N 0 0 303.450 3.473 20 10 DGCDRN CCN(CC(=O)N(C1CC1)C1CCCC1)c1ccc(OC)cc1 ZINC000746107705 575432714 /nfs/dbraw/zinc/43/27/14/575432714.db2.gz MBEJCYSCPATMEJ-UHFFFAOYSA-N 0 0 316.445 3.455 20 10 DGCDRN CCN(CC(=O)N1CCc2ccccc21)c1ccc(OC)cc1 ZINC000746109454 575433144 /nfs/dbraw/zinc/43/31/44/575433144.db2.gz OZRCADVFDILLDQ-UHFFFAOYSA-N 0 0 310.397 3.111 20 10 DGCDRN CCN(CC(=O)N1C[C@H](C)C[C@H](C)C1)c1ccc(OC)cc1 ZINC000746109006 575433223 /nfs/dbraw/zinc/43/32/23/575433223.db2.gz HLCHHNRZGUHYIZ-GASCZTMLSA-N 0 0 304.434 3.026 20 10 DGCDRN CCN(CC(=O)Nc1cccc(F)c1)c1ccc(OC)cc1 ZINC000746109733 575433225 /nfs/dbraw/zinc/43/32/25/575433225.db2.gz VAWWIEQNYOKVHU-UHFFFAOYSA-N 0 0 302.349 3.299 20 10 DGCDRN CCN(CC(=O)NCc1ccc(C)cc1)c1ccc(OC)cc1 ZINC000746109295 575433252 /nfs/dbraw/zinc/43/32/52/575433252.db2.gz OLFUQEPFEAAXBT-UHFFFAOYSA-N 0 0 312.413 3.146 20 10 DGCDRN COc1ccc(N(CC(=O)NCc2ccco2)CC(C)C)cc1 ZINC000746171178 575437260 /nfs/dbraw/zinc/43/72/60/575437260.db2.gz TUAQCPYPQOBVKJ-UHFFFAOYSA-N 0 0 316.401 3.067 20 10 DGCDRN CSCC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000746425926 575452497 /nfs/dbraw/zinc/45/24/97/575452497.db2.gz KHXSYWOZBADPPO-UHFFFAOYSA-N 0 0 302.443 3.116 20 10 DGCDRN CC(C)n1cc(NCc2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000746469897 575453834 /nfs/dbraw/zinc/45/38/34/575453834.db2.gz PDQHGGYVRSZLSW-UHFFFAOYSA-N 0 0 318.396 3.052 20 10 DGCDRN C[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000746718436 575471893 /nfs/dbraw/zinc/47/18/93/575471893.db2.gz GTLQCNLCAAKVSK-WFASDCNBSA-N 0 0 307.413 3.270 20 10 DGCDRN Cc1ncoc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000747201474 575505481 /nfs/dbraw/zinc/50/54/81/575505481.db2.gz FIAATXBGOCELDU-UHFFFAOYSA-N 0 0 313.401 3.246 20 10 DGCDRN Cn1c(-c2ccccc2)cnc1SCCn1ccccc1=O ZINC000747317833 575511606 /nfs/dbraw/zinc/51/16/06/575511606.db2.gz ACUMOXOFFCOKPN-UHFFFAOYSA-N 0 0 311.410 3.041 20 10 DGCDRN Cc1cc(C(=O)NCc2ccon2)c(C)n1-c1cccc(C)c1 ZINC000747434163 575517473 /nfs/dbraw/zinc/51/74/73/575517473.db2.gz GBTAILKORXXOFU-UHFFFAOYSA-N 0 0 309.369 3.321 20 10 DGCDRN Cc1nnc(-c2ccc(NC(=O)NCc3ccccc3O)cc2)o1 ZINC000747571161 575525370 /nfs/dbraw/zinc/52/53/70/575525370.db2.gz IVRSZEPKOYCRKS-UHFFFAOYSA-N 0 0 324.340 3.072 20 10 DGCDRN CCOc1ccc(N(CC)Cc2nc([C@H](C)OC)no2)cc1 ZINC000747840315 575545789 /nfs/dbraw/zinc/54/57/89/575545789.db2.gz NMYCALVPMAIJRF-LBPRGKRZSA-N 0 0 305.378 3.202 20 10 DGCDRN Cc1ccc2c(c1)N(C(=O)/C=C/c1cncc(F)c1)C[C@@H](C)O2 ZINC000747896793 575549677 /nfs/dbraw/zinc/54/96/77/575549677.db2.gz XUELAJUPZIJLQM-DIECRNLCSA-N 0 0 312.344 3.356 20 10 DGCDRN COc1cccc(CNC(=S)Nc2cc(C)cc(C)c2)n1 ZINC000748044966 575558190 /nfs/dbraw/zinc/55/81/90/575558190.db2.gz RTRLOCOYRLZWTM-UHFFFAOYSA-N 0 0 301.415 3.194 20 10 DGCDRN O=C(CCc1ncc(-c2ccccc2)o1)NCc1ccccc1O ZINC000748349969 575582015 /nfs/dbraw/zinc/58/20/15/575582015.db2.gz NXMJLCRBEREULE-UHFFFAOYSA-N 0 0 322.364 3.296 20 10 DGCDRN Cc1cc(C)n(-c2ccc(C(=O)NCc3ccccc3O)cc2)n1 ZINC000748354172 575583032 /nfs/dbraw/zinc/58/30/32/575583032.db2.gz GIVHANDGKXFEDO-UHFFFAOYSA-N 0 0 321.380 3.125 20 10 DGCDRN Cc1cc(C(=O)COC(=O)C2=CC(=O)CS2)c(F)cc1F ZINC000748892823 575613839 /nfs/dbraw/zinc/61/38/39/575613839.db2.gz IRNDJHGVBPOVGM-UHFFFAOYSA-N 0 0 312.293 3.080 20 10 DGCDRN CCCC(O)(CCC)CC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000749237925 575638271 /nfs/dbraw/zinc/63/82/71/575638271.db2.gz CTGJREWPINMXKN-CYBMUJFWSA-N 0 0 323.433 3.299 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CCc3ccccc3C2)cc1 ZINC000749415633 575655124 /nfs/dbraw/zinc/65/51/24/575655124.db2.gz FPEDFCVCDMKJNE-GOSISDBHSA-N 0 0 323.440 3.109 20 10 DGCDRN CCC[C@@H](O)CC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000750317374 575718446 /nfs/dbraw/zinc/71/84/46/575718446.db2.gz WZAKXJDDRGFKEX-GOSISDBHSA-N 0 0 318.461 3.090 20 10 DGCDRN Cc1ccc(C(=O)O[C@@H](C)c2nc(C(C)(C)C)no2)c(O)c1O ZINC000750619378 575742340 /nfs/dbraw/zinc/74/23/40/575742340.db2.gz OKLVJJXCMFIDFC-VIFPVBQESA-N 0 0 320.345 3.005 20 10 DGCDRN Cc1ccc(C(=O)O[C@H](C)c2nc(C(C)(C)C)no2)c(O)c1O ZINC000750619375 575742356 /nfs/dbraw/zinc/74/23/56/575742356.db2.gz OKLVJJXCMFIDFC-SECBINFHSA-N 0 0 320.345 3.005 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cc2occc2[nH]1 ZINC000750844739 575755257 /nfs/dbraw/zinc/75/52/57/575755257.db2.gz CKHVWOLFLVPUQF-UHFFFAOYSA-N 0 0 309.369 3.291 20 10 DGCDRN CCn1c2cccc(F)c2nc1/C(Cl)=C\c1cnnn1C ZINC000751031977 575768227 /nfs/dbraw/zinc/76/82/27/575768227.db2.gz MQAAEBCSPAFLDK-JXMROGBWSA-N 0 0 305.744 3.061 20 10 DGCDRN C/C=C/C=C/C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000751306000 575779485 /nfs/dbraw/zinc/77/94/85/575779485.db2.gz NSDREJLQBMLBKT-TTWWKFCBSA-N 0 0 304.353 3.467 20 10 DGCDRN CC[C@@H](C)OCC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000751753575 575802716 /nfs/dbraw/zinc/80/27/16/575802716.db2.gz FIVOLCIZDRZCSI-OAHLLOKOSA-N 0 0 304.434 3.108 20 10 DGCDRN Nc1ccc(Cc2nc(C(=O)OC/C=C/Cl)cs2)cc1 ZINC000751930009 575812752 /nfs/dbraw/zinc/81/27/52/575812752.db2.gz FQLCULXWQMCHAK-LZCJLJQNSA-N 0 0 308.790 3.225 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NCC2(C)CC2)cc1F ZINC000752011064 575817935 /nfs/dbraw/zinc/81/79/35/575817935.db2.gz WNEVDMOPCJEUAA-UHFFFAOYSA-N 0 0 307.413 3.271 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)NCC2(C)CC2)cc1 ZINC000752018801 575818403 /nfs/dbraw/zinc/81/84/03/575818403.db2.gz DKJOJPBWAQCTRB-UHFFFAOYSA-N 0 0 303.450 3.474 20 10 DGCDRN Cc1ccc(C(=O)OCCO[C@@H]2CCCC[C@H]2C)c(O)c1O ZINC000727004060 576093801 /nfs/dbraw/zinc/09/38/01/576093801.db2.gz MBUFOYVZWIXESH-BXUZGUMPSA-N 0 0 308.374 3.158 20 10 DGCDRN Cc1ccc(C(=O)OCc2ccccc2OC(F)F)c(O)c1O ZINC000727005659 576093851 /nfs/dbraw/zinc/09/38/51/576093851.db2.gz URHXEKFGPRVFQE-UHFFFAOYSA-N 0 0 324.279 3.365 20 10 DGCDRN COc1ccc(N2CCN(C(=O)C[C@@H](C)CC(C)C)CC2)cc1 ZINC000727661855 576137846 /nfs/dbraw/zinc/13/78/46/576137846.db2.gz HKDWUBCMXDRSIX-INIZCTEOSA-N 0 0 318.461 3.416 20 10 DGCDRN CN(Cc1ccccc1O)C(=S)NCCc1cccs1 ZINC000727697111 576139957 /nfs/dbraw/zinc/13/99/57/576139957.db2.gz ZLHYOFJUECXJGD-UHFFFAOYSA-N 0 0 306.456 3.003 20 10 DGCDRN COc1ccc(N2CCC(Nc3ncnc4c3CCC4)CC2)cc1 ZINC000728200791 576168943 /nfs/dbraw/zinc/16/89/43/576168943.db2.gz GEUUFLFPCQKROZ-UHFFFAOYSA-N 0 0 324.428 3.055 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cc(C)no2)cc1 ZINC000728221430 576169663 /nfs/dbraw/zinc/16/96/63/576169663.db2.gz UJVKGBNXOXBFJL-UHFFFAOYSA-N 0 0 301.390 3.101 20 10 DGCDRN CN(C)c1ccc(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)cc1 ZINC000852648767 620637167 /nfs/dbraw/zinc/63/71/67/620637167.db2.gz DIZHPHMSVQWMPV-UHFFFAOYSA-N 0 0 300.446 3.144 20 10 DGCDRN C[C@@H]1C[C@H](C)CN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000916587454 620637405 /nfs/dbraw/zinc/63/74/05/620637405.db2.gz IAQIONZDMKNOTK-IYBDPMFKSA-N 0 0 315.461 3.474 20 10 DGCDRN CC[C@@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)c1ccccc1 ZINC000916617642 620639315 /nfs/dbraw/zinc/63/93/15/620639315.db2.gz QXOODBUNMKFCBR-CQSZACIVSA-N 0 0 314.337 3.018 20 10 DGCDRN C[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H](CC(F)(F)F)O1 ZINC000852741121 620644567 /nfs/dbraw/zinc/64/45/67/620644567.db2.gz FPWMMPDSKIOZMH-WFASDCNBSA-N 0 0 316.367 3.294 20 10 DGCDRN C[C@@]1(Cc2ccccc2)CCCN1C(=O)Cc1ccc(N)cc1 ZINC000852899288 620654631 /nfs/dbraw/zinc/65/46/31/620654631.db2.gz GLOJZGFELNCTBK-FQEVSTJZSA-N 0 0 308.425 3.435 20 10 DGCDRN CC1(C)C[C@@]1(CNC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000852931038 620655782 /nfs/dbraw/zinc/65/57/82/620655782.db2.gz RDGBTJNJWGRDBC-HXUWFJFHSA-N 0 0 308.425 3.295 20 10 DGCDRN CC(C)c1cccc(/C=C2/SC(N3CCOCC3)=NC2=O)c1 ZINC000853001905 620658940 /nfs/dbraw/zinc/65/89/40/620658940.db2.gz CKDGRWMDKHMEFF-RVDMUPIBSA-N 0 0 316.426 3.113 20 10 DGCDRN CCOC(=O)c1cnc(N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000853094005 620668192 /nfs/dbraw/zinc/66/81/92/620668192.db2.gz WDXNAXZACXHYSY-UHFFFAOYSA-N 0 0 319.430 3.022 20 10 DGCDRN Cc1cc(CC(=O)OCCc2cn[nH]c2)c(C)n1-c1ccccc1 ZINC000853110937 620669707 /nfs/dbraw/zinc/66/97/07/620669707.db2.gz MJWWDHRHKPWVJT-UHFFFAOYSA-N 0 0 323.396 3.146 20 10 DGCDRN Cc1cc(CC(=O)OCc2ccn(C)n2)c(C)n1-c1ccccc1 ZINC000853113869 620670081 /nfs/dbraw/zinc/67/00/81/620670081.db2.gz HIMAOWVPCXLWLJ-UHFFFAOYSA-N 0 0 323.396 3.114 20 10 DGCDRN O=c1nc(-c2cccc(O)c2O)[nH]c2sc3c(c21)CCCC3 ZINC000917503709 620671200 /nfs/dbraw/zinc/67/12/00/620671200.db2.gz FSHZXKSZWKJDEF-UHFFFAOYSA-N 0 0 314.366 3.354 20 10 DGCDRN CCN(Cc1cc(Br)ccc1O)c1ccc(C)nn1 ZINC000853452131 620696012 /nfs/dbraw/zinc/69/60/12/620696012.db2.gz QZBFUJFVSCQNQX-UHFFFAOYSA-N 0 0 322.206 3.280 20 10 DGCDRN CCNc1nccnc1N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000853467911 620698180 /nfs/dbraw/zinc/69/81/80/620698180.db2.gz KOFACWBMLHXDQY-UHFFFAOYSA-N 0 0 315.808 3.251 20 10 DGCDRN CCCN(CCC)C(=O)NCCCSc1nccs1 ZINC000154658961 620699597 /nfs/dbraw/zinc/69/95/97/620699597.db2.gz PQKWZRGECSMOMO-UHFFFAOYSA-N 0 0 301.481 3.457 20 10 DGCDRN CN(CC1CCCC1)C(=O)NCCCSc1nccs1 ZINC000154669560 620702827 /nfs/dbraw/zinc/70/28/27/620702827.db2.gz VDNMXGWOUOTKRO-UHFFFAOYSA-N 0 0 313.492 3.457 20 10 DGCDRN Cc1cc(O)c(CN2CCO[C@@H](C(F)(F)F)[C@H]2C)cc1C ZINC000853573316 620710649 /nfs/dbraw/zinc/71/06/49/620710649.db2.gz WGGSLQLXDLUJCX-BXUZGUMPSA-N 0 0 303.324 3.161 20 10 DGCDRN COc1ccc(N2CC[C@@H](Nc3cc(C)nc(C4CC4)n3)C2)cc1 ZINC000853758746 620734464 /nfs/dbraw/zinc/73/44/64/620734464.db2.gz JYSNMFHGKJQVNK-OAHLLOKOSA-N 0 0 324.428 3.362 20 10 DGCDRN COC[C@@H](COc1ccc(N2CCCCC2)c(Cl)c1)OC ZINC000853725376 620729632 /nfs/dbraw/zinc/72/96/32/620729632.db2.gz PNYXOADWSBARLG-AWEZNQCLSA-N 0 0 313.825 3.371 20 10 DGCDRN C[C@@H](NCc1cnn(C)n1)c1ccc(N2CCCCCC2)cc1 ZINC000806168309 617648869 /nfs/dbraw/zinc/64/88/69/617648869.db2.gz IIWLGIPIICMKRK-OAHLLOKOSA-N 0 0 313.449 3.046 20 10 DGCDRN COc1ccc(CNc2nccc(C)c2Br)c(O)c1 ZINC000804682008 617649708 /nfs/dbraw/zinc/64/97/08/617649708.db2.gz IXDQNSVITUDCOU-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN CCn1c(C)cc(C(=O)NCc2cccc(Cl)c2O)c1C ZINC000890758086 617655889 /nfs/dbraw/zinc/65/58/89/617655889.db2.gz RAELKCOMTDZSHH-UHFFFAOYSA-N 0 0 306.793 3.414 20 10 DGCDRN CC[C@@H]1C[C@@H](CC(=O)NCc2cccc(Cl)c2O)CCO1 ZINC000890759725 617656330 /nfs/dbraw/zinc/65/63/30/617656330.db2.gz PHEUGXHCZYJTPI-WCQYABFASA-N 0 0 311.809 3.257 20 10 DGCDRN CC[C@H]1C[C@@H](CC(=O)NCc2cccc(Cl)c2O)CCO1 ZINC000890759723 617656351 /nfs/dbraw/zinc/65/63/51/617656351.db2.gz PHEUGXHCZYJTPI-AAEUAGOBSA-N 0 0 311.809 3.257 20 10 DGCDRN Cc1n[nH]c(C)c1[C@H](C)CC(=O)NCc1cccc(Cl)c1O ZINC000890759454 617656354 /nfs/dbraw/zinc/65/63/54/617656354.db2.gz CBXJDIDWGDUWQR-SECBINFHSA-N 0 0 321.808 3.196 20 10 DGCDRN CCOc1nccc(C)c1C(=O)NCc1cccc(Cl)c1O ZINC000890759681 617656390 /nfs/dbraw/zinc/65/63/90/617656390.db2.gz OOZRMAUFXQRZOD-UHFFFAOYSA-N 0 0 320.776 3.078 20 10 DGCDRN CC(C)[C@H]1C[C@@H]1C(=O)NCc1cc(Br)ccc1O ZINC000804738639 617661901 /nfs/dbraw/zinc/66/19/01/617661901.db2.gz YFDKQPUXFYTRNL-NEPJUHHUSA-N 0 0 312.207 3.063 20 10 DGCDRN O=C(NCc1cc(Br)ccc1O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000804739642 617662436 /nfs/dbraw/zinc/66/24/36/617662436.db2.gz MZSOARXOYUTLAW-IMRBUKKESA-N 0 0 324.218 3.207 20 10 DGCDRN CCc1cc(C)nc(NCc2cc(Br)ccc2O)n1 ZINC000804827360 617680300 /nfs/dbraw/zinc/68/03/00/617680300.db2.gz PKPYNDAKDMMJNA-UHFFFAOYSA-N 0 0 322.206 3.428 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@@H](CCF)C2)cc1OC ZINC000853855668 620746296 /nfs/dbraw/zinc/74/62/96/620746296.db2.gz ZSZQFMRFEQVDRW-NSHDSACASA-N 0 0 312.341 3.188 20 10 DGCDRN CC(C)c1nc(Sc2ncc(Cl)s2)nc(N(C)C)n1 ZINC000853964022 620757978 /nfs/dbraw/zinc/75/79/78/620757978.db2.gz FZYZNWSAZKBKIH-UHFFFAOYSA-N 0 0 315.855 3.322 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCC[C@@H]2CC[C@@H]3C[C@@H]32)c1 ZINC000924387972 617923541 /nfs/dbraw/zinc/92/35/41/617923541.db2.gz NURSYXOBATVTPP-BCUIYNNISA-N 0 0 318.417 3.197 20 10 DGCDRN COc1ccccc1NC(=S)NCc1ccc(C)c(C)n1 ZINC000840844367 617940258 /nfs/dbraw/zinc/94/02/58/617940258.db2.gz QAPDUYHXCVBYJZ-UHFFFAOYSA-N 0 0 301.415 3.194 20 10 DGCDRN CC[C@@H](C)CN(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000111845464 620764170 /nfs/dbraw/zinc/76/41/70/620764170.db2.gz TUIVXACCGMZCHS-CQSZACIVSA-N 0 0 303.450 3.257 20 10 DGCDRN C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)Cc2ccccc21 ZINC000892038440 617948733 /nfs/dbraw/zinc/94/87/33/617948733.db2.gz FIRMFLIVQVFEIY-CQSZACIVSA-N 0 0 309.413 3.140 20 10 DGCDRN Cc1cncc([C@H]2CCCN2C(=O)NCCc2ccc(N)cc2)c1 ZINC000892038441 617949068 /nfs/dbraw/zinc/94/90/68/617949068.db2.gz FJAKKBUAQSZFOJ-GOSISDBHSA-N 0 0 324.428 3.061 20 10 DGCDRN Nc1ccc2c(c1)CCC[C@H]2NC(=O)N1Cc2cccc(O)c2C1 ZINC000892071867 617956608 /nfs/dbraw/zinc/95/66/08/617956608.db2.gz SMOGWCPIGQZSQU-QGZVFWFLSA-N 0 0 323.396 3.077 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(F)(F)C(F)F ZINC000840556411 618033829 /nfs/dbraw/zinc/03/38/29/618033829.db2.gz LJJGEFRPOOYAAG-SNVBAGLBSA-N 0 0 320.330 3.009 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=S)NC1(C)CC1 ZINC000840868038 618037384 /nfs/dbraw/zinc/03/73/84/618037384.db2.gz AZUBPNVPCPPVIT-ZDUSSCGKSA-N 0 0 305.491 3.009 20 10 DGCDRN C[C@@H](NCc1nccc(C(F)(F)F)n1)c1ccc(F)cc1O ZINC000840869643 618041886 /nfs/dbraw/zinc/04/18/86/618041886.db2.gz NIXHURPUZBDYMK-MRVPVSSYSA-N 0 0 315.270 3.191 20 10 DGCDRN CCO[C@H](CC)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000919976955 620774353 /nfs/dbraw/zinc/77/43/53/620774353.db2.gz XISAUTNZXPPVMA-QGZVFWFLSA-N 0 0 306.450 3.306 20 10 DGCDRN CN1CCCc2cc(CNCc3nnc(C4CC4)s3)ccc21 ZINC000892733232 618150512 /nfs/dbraw/zinc/15/05/12/618150512.db2.gz QOHFDQYCFWOQNH-UHFFFAOYSA-N 0 0 314.458 3.088 20 10 DGCDRN C[C@@H](Cc1ccccc1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000112009592 620785270 /nfs/dbraw/zinc/78/52/70/620785270.db2.gz USCPKNAAGVHYAF-AWEZNQCLSA-N 0 0 314.404 3.387 20 10 DGCDRN Cc1noc(C)c1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000112017522 620785573 /nfs/dbraw/zinc/78/55/73/620785573.db2.gz JDONUGJKQHPWQA-UHFFFAOYSA-N 0 0 311.179 3.049 20 10 DGCDRN CSCCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000854251401 620788343 /nfs/dbraw/zinc/78/83/43/620788343.db2.gz BLZYGDYXWAXRJT-UHFFFAOYSA-N 0 0 302.443 3.116 20 10 DGCDRN C[C@@H]1CCCC[C@@H]1CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000920232371 620790363 /nfs/dbraw/zinc/79/03/63/620790363.db2.gz QAHMDRZPPPVPNH-GDBMZVCRSA-N 0 0 303.450 3.378 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccnn1C(F)F ZINC000854373877 620798781 /nfs/dbraw/zinc/79/87/81/620798781.db2.gz LYFMGSCTKKCNCP-UHFFFAOYSA-N 0 0 323.343 3.426 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@@H](OC)C1 ZINC000854374868 620799029 /nfs/dbraw/zinc/79/90/29/620799029.db2.gz ZNTSDHKCQLLJEM-GDBMZVCRSA-N 0 0 305.418 3.336 20 10 DGCDRN O=C1/C(=C/c2csc(C3CC3)n2)SC(=S)N1C1CC1 ZINC000920471510 620805002 /nfs/dbraw/zinc/80/50/02/620805002.db2.gz CAFNUEYADKSPPL-YHYXMXQVSA-N 0 0 308.453 3.384 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@H]2CCC[C@@H]21 ZINC000893136042 618440164 /nfs/dbraw/zinc/44/01/64/618440164.db2.gz SNKNZAMQJARPOB-WMZOPIPTSA-N 0 0 311.429 3.147 20 10 DGCDRN CC(C)(C)OC(=O)c1ccnc(N2Cc3cccc(O)c3C2)c1 ZINC000894991892 618507016 /nfs/dbraw/zinc/50/70/16/618507016.db2.gz UHCOEVQMHJSHGW-UHFFFAOYSA-N 0 0 312.369 3.263 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000895280742 618586324 /nfs/dbraw/zinc/58/63/24/618586324.db2.gz ZSWVOFIGTMJENT-WBMJQRKESA-N 0 0 311.372 3.452 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)N[C@@H]1CCC(F)(F)C1 ZINC000893706539 618646530 /nfs/dbraw/zinc/64/65/30/618646530.db2.gz GUAAUYGSNWMDJS-SECBINFHSA-N 0 0 304.724 3.033 20 10 DGCDRN C[C@H](NC(=O)N1CCCSC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000894284984 618752084 /nfs/dbraw/zinc/75/20/84/618752084.db2.gz IEWXBOMZTMKNBB-KBPBESRZSA-N 0 0 321.490 3.351 20 10 DGCDRN C[C@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1cncs1 ZINC000894288059 618752918 /nfs/dbraw/zinc/75/29/18/618752918.db2.gz ZSABCRASTBQRSV-RYUDHWBXSA-N 0 0 318.446 3.331 20 10 DGCDRN COc1cc(C)cc(CNCc2csc([C@H](C)OC)n2)c1O ZINC000894319786 618763606 /nfs/dbraw/zinc/76/36/06/618763606.db2.gz FOLOZELDPKXFTK-NSHDSACASA-N 0 0 322.430 3.163 20 10 DGCDRN CCN(CC)c1ccc(CN[C@H](C)c2nonc2C)cc1F ZINC000925013183 618764023 /nfs/dbraw/zinc/76/40/23/618764023.db2.gz KTRGPEOBQRHVPG-LLVKDONJSA-N 0 0 306.385 3.214 20 10 DGCDRN COc1cccc(C[N@@H+]2CCC[C@@]2(C)C(=O)OC(C)(C)C)c1O ZINC000895408504 618780080 /nfs/dbraw/zinc/78/00/80/618780080.db2.gz CXKJCZQYQUUGAZ-SFHVURJKSA-N 0 0 321.417 3.097 20 10 DGCDRN CCN(Cc1ccc(OC)c(OC)c1O)c1cccc(O)c1 ZINC000895475637 618789367 /nfs/dbraw/zinc/78/93/67/618789367.db2.gz ITTQNZDFUINYQB-UHFFFAOYSA-N 0 0 303.358 3.142 20 10 DGCDRN Cc1ccc(CNc2cccc([C@@]3(C)COC(=O)N3)c2)c(O)c1 ZINC000895638335 618811158 /nfs/dbraw/zinc/81/11/58/618811158.db2.gz TYFVTEQQVLKSMS-GOSISDBHSA-N 0 0 312.369 3.268 20 10 DGCDRN Cc1ccc(CN=[S@](C)(=O)c2ccc(N(C)C)cc2)c(O)c1 ZINC000895730406 618824535 /nfs/dbraw/zinc/82/45/35/618824535.db2.gz SEGQQHGDFGTDIJ-JOCHJYFZSA-N 0 0 318.442 3.424 20 10 DGCDRN Oc1cccc2c1CN(Cc1cnc(CC(F)(F)F)s1)C2 ZINC000895784607 618830642 /nfs/dbraw/zinc/83/06/42/618830642.db2.gz JSNYOXDNPDGPHK-UHFFFAOYSA-N 0 0 314.332 3.469 20 10 DGCDRN CN(C)c1cc(F)c(C[NH2+]Cc2c([O-])cccc2F)cc1F ZINC000896642395 618937903 /nfs/dbraw/zinc/93/79/03/618937903.db2.gz QQUARWWGHYFNOZ-UHFFFAOYSA-N 0 0 310.319 3.165 20 10 DGCDRN COc1cc2c(c(C[NH2+]Cc3c([O-])cccc3F)c1)O[C@@H](C)C2 ZINC000896642460 618938115 /nfs/dbraw/zinc/93/81/15/618938115.db2.gz WYWYDDMPERCSOZ-NSHDSACASA-N 0 0 317.360 3.153 20 10 DGCDRN COC(C)(C)C[C@@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896678350 618945285 /nfs/dbraw/zinc/94/52/85/618945285.db2.gz AOEGKKBYSNTEOT-SECBINFHSA-N 0 0 323.414 3.246 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC(CO)(C(F)(F)F)CC1 ZINC000897037517 619005136 /nfs/dbraw/zinc/00/51/36/619005136.db2.gz PFCXSWPVTUOTLD-UHFFFAOYSA-N 0 0 323.742 3.182 20 10 DGCDRN CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3cccc(Cl)c3[O-])C2)n1 ZINC000897046449 619006260 /nfs/dbraw/zinc/00/62/60/619006260.db2.gz ZEZLPBXOFIHSKW-PWSUYJOCSA-N 0 0 321.808 3.417 20 10 DGCDRN [O-]c1c(C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)ccc(F)c1F ZINC000897270871 619040597 /nfs/dbraw/zinc/04/05/97/619040597.db2.gz CTWYARUWNZYCPV-CYBMUJFWSA-N 0 0 311.372 3.309 20 10 DGCDRN CN(Cc1c(F)cccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000121300744 619042043 /nfs/dbraw/zinc/04/20/43/619042043.db2.gz UTLMBYAHAPKECS-UHFFFAOYSA-N 0 0 304.277 3.099 20 10 DGCDRN Cc1csc(C[C@@H]2CC[N@H+](Cc3cc(F)cc(F)c3[O-])C2)n1 ZINC000897301854 619049193 /nfs/dbraw/zinc/04/91/93/619049193.db2.gz WBCNDCPDPQEVEE-NSHDSACASA-N 0 0 324.396 3.500 20 10 DGCDRN C[C@]1([NH2+]Cc2ccc(F)c(F)c2[O-])CCOc2ccccc21 ZINC000897386387 619100947 /nfs/dbraw/zinc/10/09/47/619100947.db2.gz VWQVUWDGFPKRMZ-KRWDZBQOSA-N 0 0 305.324 3.458 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1CCCc2ccccc2C1 ZINC000897616710 619167768 /nfs/dbraw/zinc/16/77/68/619167768.db2.gz WSEQMBLXHCYPQW-SFHVURJKSA-N 0 0 324.424 3.481 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1CCOC12CCCCC2)c1ccccc1O ZINC000897643622 619170132 /nfs/dbraw/zinc/17/01/32/619170132.db2.gz XFKNVGKZHGKBTM-XJKSGUPXSA-N 0 0 318.417 3.244 20 10 DGCDRN CCSCCCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897669331 619172068 /nfs/dbraw/zinc/17/20/68/619172068.db2.gz QZUWDRCROVCWRO-UHFFFAOYSA-N 0 0 311.428 3.186 20 10 DGCDRN O=C(NCC1CC(F)(F)C1)c1cc2cc(O)c(O)cc2s1 ZINC000897820353 619185235 /nfs/dbraw/zinc/18/52/35/619185235.db2.gz PUWJTTQSKTWZNZ-UHFFFAOYSA-N 0 0 313.325 3.088 20 10 DGCDRN CC1(C)C[C@@H](NC(=O)N2Cc3cccc(O)c3C2)CCS1 ZINC000897854265 619188847 /nfs/dbraw/zinc/18/88/47/619188847.db2.gz CRJVNCQWLLSHFU-LBPRGKRZSA-N 0 0 306.431 3.092 20 10 DGCDRN CC[C@@H](C)[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)OC ZINC000897880241 619190856 /nfs/dbraw/zinc/19/08/56/619190856.db2.gz KPKRGSJSBMWFBR-RNCFNFMXSA-N 0 0 323.414 3.103 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CC[C@H]2CCC(F)(F)C2)c1 ZINC000898019600 619206605 /nfs/dbraw/zinc/20/66/05/619206605.db2.gz OWOBFIDLCHNDHL-SNVBAGLBSA-N 0 0 300.305 3.216 20 10 DGCDRN C[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)CC(F)F ZINC000898080001 619214156 /nfs/dbraw/zinc/21/41/56/619214156.db2.gz AZYAHNPWYCWZRG-ZETCQYMHSA-N 0 0 315.341 3.334 20 10 DGCDRN CCc1oc(C[NH2+]Cc2cccc(Cl)c2[O-])cc1C(=O)OC ZINC000898218498 619222507 /nfs/dbraw/zinc/22/25/07/619222507.db2.gz IEDPGCHFYNIERC-UHFFFAOYSA-N 0 0 323.776 3.277 20 10 DGCDRN CC(C)[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])c1cnn(C)c1 ZINC000927069170 619261950 /nfs/dbraw/zinc/26/19/50/619261950.db2.gz LKKLJLGBNNQOSW-MEBBXXQBSA-N 0 0 309.360 3.452 20 10 DGCDRN CC[C@@H]([NH2+]CCOC1CCOCC1)c1cccc(Cl)c1[O-] ZINC000927076375 619262483 /nfs/dbraw/zinc/26/24/83/619262483.db2.gz GPTYPEBNNKCYGH-OAHLLOKOSA-N 0 0 313.825 3.282 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CC2(CCC2)[C@@H]1c1cccnc1 ZINC000898410822 619271686 /nfs/dbraw/zinc/27/16/86/619271686.db2.gz QLTOQQAHBXCFIX-AWEZNQCLSA-N 0 0 300.383 3.216 20 10 DGCDRN C[C@H](NC(=O)NC[C@H]1CCCC(C)(C)O1)c1ccccc1O ZINC000898638077 619288708 /nfs/dbraw/zinc/28/87/08/619288708.db2.gz XMCCNXWJIBRLQJ-QWHCGFSZSA-N 0 0 306.406 3.100 20 10 DGCDRN O=C(N[C@@]12C[C@@H]1CCCC2)c1cc2cc(O)c(O)cc2s1 ZINC000899163429 619315703 /nfs/dbraw/zinc/31/57/03/619315703.db2.gz HHYPRABTXNKTQL-QFYYESIMSA-N 0 0 303.383 3.375 20 10 DGCDRN CC1(F)CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000899170358 619316276 /nfs/dbraw/zinc/31/62/76/619316276.db2.gz PQOLMDYBELDJOA-UHFFFAOYSA-N 0 0 309.362 3.277 20 10 DGCDRN O=C(Nc1cccc([C@@H]2CCCC(=O)N2)c1)C1=CC(=O)CS1 ZINC000899803915 619374298 /nfs/dbraw/zinc/37/42/98/619374298.db2.gz WWSVXPPURBHVCM-ZDUSSCGKSA-N 0 0 316.382 3.047 20 10 DGCDRN COCc1c(C)cc(C)c(C=C2SC(=S)NC2=O)c1C ZINC000901415840 619498082 /nfs/dbraw/zinc/49/80/82/619498082.db2.gz ALKBKZFJGAQYMY-AWNIVKPZSA-N 0 0 307.440 3.247 20 10 DGCDRN CCc1cc(O)ccc1NS(=O)(=O)c1c(C)csc1C ZINC000901916438 619560709 /nfs/dbraw/zinc/56/07/09/619560709.db2.gz KOJGIXUBTHKQEA-UHFFFAOYSA-N 0 0 311.428 3.434 20 10 DGCDRN C[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(Cl)c(Cl)c1[O-] ZINC000902478410 619638811 /nfs/dbraw/zinc/63/88/11/619638811.db2.gz WMMMXWPBOXYUQX-VZJNWSLWSA-N 0 0 301.217 3.243 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1)c1c([O-])cccc1F ZINC000903176582 619730307 /nfs/dbraw/zinc/73/03/07/619730307.db2.gz QOKTVZBHBKXICI-AUTRQRHGSA-N 0 0 307.287 3.292 20 10 DGCDRN CCN(C(=O)C[NH2+][C@H](C)c1ccc(F)cc1[O-])c1ccccc1 ZINC000903197484 619734472 /nfs/dbraw/zinc/73/44/72/619734472.db2.gz PIQMDZHPYQQDCB-CYBMUJFWSA-N 0 0 316.376 3.235 20 10 DGCDRN C[C@H]([NH2+]C1CC(CC(N)=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000903261603 619747062 /nfs/dbraw/zinc/74/70/62/619747062.db2.gz YRVOZFJVLCUSEC-UEJVZZJDSA-N 0 0 317.216 3.004 20 10 DGCDRN C[C@@H]([NH2+]C[C@@]1(c2ccccc2)C[C@@H](O)C1)c1c([O-])cccc1F ZINC000903272638 619750168 /nfs/dbraw/zinc/75/01/68/619750168.db2.gz WHQNGZHHURFBTB-ZXYWRSMDSA-N 0 0 315.388 3.275 20 10 DGCDRN CC[C@@H](NCc1ncc(Br)cn1)c1ccccc1O ZINC000903320636 619755580 /nfs/dbraw/zinc/75/55/80/619755580.db2.gz MVICBHUYEQTVCO-GFCCVEGCSA-N 0 0 322.206 3.186 20 10 DGCDRN C[C@H]([NH2+]C[C@@](C)(O)c1cccc(F)c1)c1ccc(F)cc1[O-] ZINC000903307755 619756645 /nfs/dbraw/zinc/75/66/45/619756645.db2.gz FANQGEYSOALKET-APPDUMDISA-N 0 0 307.340 3.229 20 10 DGCDRN CC[C@H]([NH2+]C[C@@]1(OC(C)C)CCOC1)c1ccc(F)cc1[O-] ZINC000903357220 619764591 /nfs/dbraw/zinc/76/45/91/619764591.db2.gz LAYQGZCJHPZDLD-RDJZCZTQSA-N 0 0 311.397 3.156 20 10 DGCDRN CC[C@@H]([NH2+]CCOC1CCSCC1)c1ccc(F)cc1[O-] ZINC000903444414 619777857 /nfs/dbraw/zinc/77/78/57/619777857.db2.gz ANPSJUBFKXFSLE-OAHLLOKOSA-N 0 0 313.438 3.484 20 10 DGCDRN CC(C)[C@H]1C[C@H](c2nc(Cc3ccc(N)cc3)no2)CCO1 ZINC000904504724 619925916 /nfs/dbraw/zinc/92/59/16/619925916.db2.gz SBWHEMGJRHJOPF-UKRRQHHQSA-N 0 0 301.390 3.161 20 10 DGCDRN CCCCOc1ccccc1NC[C@H](O)CCC1(O)CCC1 ZINC000905312238 619985870 /nfs/dbraw/zinc/98/58/70/619985870.db2.gz CZSSOZJYTFTEIC-OAHLLOKOSA-N 0 0 307.434 3.334 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)[C@@H]1CCCO1 ZINC000906345778 620088279 /nfs/dbraw/zinc/08/82/79/620088279.db2.gz VUTQNHKIRXAIRH-QAPCUYQASA-N 0 0 318.461 3.305 20 10 DGCDRN CC[C@@H]1CCC[C@]1(C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000907276182 620146576 /nfs/dbraw/zinc/14/65/76/620146576.db2.gz ZTBKCDCYMNZBFK-WRSAYESZSA-N 0 0 305.418 3.361 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)c1cnccn1 ZINC000908045753 620187696 /nfs/dbraw/zinc/18/76/96/620187696.db2.gz SIKCCUJFGKUTAO-AWEZNQCLSA-N 0 0 313.401 3.115 20 10 DGCDRN COc1ccc2c(c1)CCCN2CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000027579251 620228264 /nfs/dbraw/zinc/22/82/64/620228264.db2.gz LCAXKPWWBAKAFE-YOEHRIQHSA-N 0 0 316.445 3.143 20 10 DGCDRN COC(=O)c1occc1CN1CCCc2cc(OC)ccc21 ZINC000027959891 620264231 /nfs/dbraw/zinc/26/42/31/620264231.db2.gz MVBOTPYEYUUPPS-UHFFFAOYSA-N 0 0 301.342 3.028 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000910951644 620318571 /nfs/dbraw/zinc/31/85/71/620318571.db2.gz JZWNERZHMZUYCY-KOLCDFICSA-N 0 0 317.307 3.083 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1cc2c(s1)CCCCC2 ZINC000910957188 620318885 /nfs/dbraw/zinc/31/88/85/620318885.db2.gz LZGRPUKOXAYINI-UHFFFAOYSA-N 0 0 317.410 3.358 20 10 DGCDRN CCCCOc1ccc(C(=O)NCc2ccc(O)cc2O)cc1 ZINC000910958842 620318917 /nfs/dbraw/zinc/31/89/17/620318917.db2.gz XEUNYUXKJUDQEO-UHFFFAOYSA-N 0 0 315.369 3.207 20 10 DGCDRN Nc1ccc(CCNC(=O)C2(CCc3ccccc3)CC2)cc1 ZINC000911783202 620346015 /nfs/dbraw/zinc/34/60/15/620346015.db2.gz QUZQTLOTHYRJSH-UHFFFAOYSA-N 0 0 308.425 3.341 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CCOC3(CCCC3)C2)c1 ZINC000913000564 620418923 /nfs/dbraw/zinc/41/89/23/620418923.db2.gz NPBXEWSJYJBSRN-AWEZNQCLSA-N 0 0 303.402 3.056 20 10 DGCDRN CCCS(=O)(=O)Nc1cccc(NCc2ccccc2O)c1 ZINC000151103196 620423306 /nfs/dbraw/zinc/42/33/06/620423306.db2.gz FNCNGTLEXPXXCS-UHFFFAOYSA-N 0 0 320.414 3.156 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc(C)n(C)n2)cc1 ZINC000151120143 620424357 /nfs/dbraw/zinc/42/43/57/620424357.db2.gz PDHHUZWRAANTGN-UHFFFAOYSA-N 0 0 308.385 3.388 20 10 DGCDRN O=C(CCCC(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000913726245 620474922 /nfs/dbraw/zinc/47/49/22/620474922.db2.gz KUGVEOIVFAYJRA-UHFFFAOYSA-N 0 0 309.365 3.288 20 10 DGCDRN Cc1ccc(C2=NO[C@@H](C(=O)N[C@@H](C)c3ccccc3O)C2)cc1 ZINC000913763403 620477946 /nfs/dbraw/zinc/47/79/46/620477946.db2.gz FSHYEKGHAIKVFV-SCLBCKFNSA-N 0 0 324.380 3.071 20 10 DGCDRN COc1cccc(CN[C@H](CC(C)C)C(=O)OC(C)(C)C)c1O ZINC000152102509 620492225 /nfs/dbraw/zinc/49/22/25/620492225.db2.gz GHGYSAKHJCVQCI-CQSZACIVSA-N 0 0 323.433 3.247 20 10 DGCDRN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1nccs1 ZINC000153301252 620547417 /nfs/dbraw/zinc/54/74/17/620547417.db2.gz ZJEWSIXKBZEAAJ-KBPBESRZSA-N 0 0 317.458 3.392 20 10 DGCDRN CCOc1ccc([C@@H]2NC(=O)c3ccc(Cl)cc3N2)c(O)c1 ZINC000914796277 620554895 /nfs/dbraw/zinc/55/48/95/620554895.db2.gz UVTAVATXYMBTKZ-HNNXBMFYSA-N 0 0 318.760 3.298 20 10 DGCDRN CCO[C@@H]1C[C@@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000916114589 620618621 /nfs/dbraw/zinc/61/86/21/620618621.db2.gz GUQQSLRRMQKWFK-ZWKOTPCHSA-N 0 0 316.445 3.060 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000852562407 620629739 /nfs/dbraw/zinc/62/97/39/620629739.db2.gz AUNMVXXLTPWPKZ-WFGGJUAMSA-N 0 0 318.417 3.197 20 10 DGCDRN C[C@H]1CCCC[C@H]1OCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000112803351 620855503 /nfs/dbraw/zinc/85/55/03/620855503.db2.gz RJAIEJIGUGKRSH-SUMWQHHRSA-N 0 0 322.424 3.103 20 10 DGCDRN CCOc1cccc(NC(=S)NCc2cc(C)ccn2)c1 ZINC000840758407 620862162 /nfs/dbraw/zinc/86/21/62/620862162.db2.gz OYDNLZBRWBVJAG-UHFFFAOYSA-N 0 0 301.415 3.275 20 10 DGCDRN O=C(N[C@@H](c1cccs1)C1(CO)CCC1)C1=CC(=O)CS1 ZINC000855117997 620871001 /nfs/dbraw/zinc/87/10/01/620871001.db2.gz LDTFVGCSMKRKAE-ZDUSSCGKSA-N 0 0 323.439 3.149 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)[C@]3(C)CC=CCC3)C2)cc1 ZINC000855222819 620881359 /nfs/dbraw/zinc/88/13/59/620881359.db2.gz AZNGIKDQTGVCOK-DNVCBOLYSA-N 0 0 314.429 3.137 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)/C=C(/C)C(C)(C)C)C2)cc1 ZINC000855226375 620881836 /nfs/dbraw/zinc/88/18/36/620881836.db2.gz RMOXSUNOJHLEQJ-IKESIWSLSA-N 0 0 316.445 3.383 20 10 DGCDRN CC[C@H](C)CCC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855223264 620881960 /nfs/dbraw/zinc/88/19/60/620881960.db2.gz FBFUQCMCLLAIAX-LSDHHAIUSA-N 0 0 304.434 3.216 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)C[C@@H]3C=CCCC3)C2)cc1 ZINC000855228195 620882266 /nfs/dbraw/zinc/88/22/66/620882266.db2.gz XFIKLFSTHOXMPC-CVEARBPZSA-N 0 0 314.429 3.137 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)[C@H](C)c3ccccc3)C2)cc1 ZINC000855228082 620882402 /nfs/dbraw/zinc/88/24/02/620882402.db2.gz UXEFZUNJYUBXJQ-WBVHZDCISA-N 0 0 324.424 3.194 20 10 DGCDRN CCCC[C@H](C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855227625 620882475 /nfs/dbraw/zinc/88/24/75/620882475.db2.gz ZLZKPOODRIPEDH-LSDHHAIUSA-N 0 0 304.434 3.216 20 10 DGCDRN c1cn(-c2ccccc2)nc1CNCc1ccc2c(c1)CCCO2 ZINC000921610578 620913823 /nfs/dbraw/zinc/91/38/23/620913823.db2.gz VFRWLNYVYTZALQ-UHFFFAOYSA-N 0 0 319.408 3.487 20 10 DGCDRN Cc1nc(C2(NCc3ccc4c(c3)CCCO4)CCCC2)no1 ZINC000921644589 620926426 /nfs/dbraw/zinc/92/64/26/620926426.db2.gz WFVFLTUHZQIZTJ-UHFFFAOYSA-N 0 0 313.401 3.262 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H]3COC[C@]3(C)C2)cc1 ZINC000855841255 620941161 /nfs/dbraw/zinc/94/11/61/620941161.db2.gz KHLUOQHZBKUUAP-PXNSSMCTSA-N 0 0 324.424 3.203 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H](C2CCC2)C1 ZINC000856171857 620968466 /nfs/dbraw/zinc/96/84/66/620968466.db2.gz BBVBSVPJAZZOIW-HEWZJLJBSA-N 0 0 301.386 3.150 20 10 DGCDRN Cc1cn(C)nc1NC(=O)c1sccc1-n1c(C)ccc1C ZINC000856411013 620993302 /nfs/dbraw/zinc/99/33/02/620993302.db2.gz HIIKNHXNHPYSBQ-UHFFFAOYSA-N 0 0 314.414 3.450 20 10 DGCDRN CCn1nccc1CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000856479763 620997591 /nfs/dbraw/zinc/99/75/91/620997591.db2.gz SQINGMLBKZSSMW-UHFFFAOYSA-N 0 0 322.412 3.241 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@H](C)Cc2ccc(F)cc2)c1 ZINC000114543532 621009379 /nfs/dbraw/zinc/00/93/79/621009379.db2.gz AEOZWLUNDWSHPY-GFCCVEGCSA-N 0 0 317.360 3.035 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2ccccc2SC)c1 ZINC000114565635 621015405 /nfs/dbraw/zinc/01/54/05/621015405.db2.gz OWCJYIOCRPEXKB-UHFFFAOYSA-N 0 0 318.398 3.444 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NC2CCCCCCC2)c1 ZINC000114582058 621016481 /nfs/dbraw/zinc/01/64/81/621016481.db2.gz UCJZGJQZLZTJSG-UHFFFAOYSA-N 0 0 306.406 3.313 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)c1 ZINC000114599548 621016581 /nfs/dbraw/zinc/01/65/81/621016581.db2.gz PAMLVYSFKQWLRC-YWPYICTPSA-N 0 0 306.406 3.025 20 10 DGCDRN COC(=O)/C=C/c1ccc(N2CC(CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000856789773 621022447 /nfs/dbraw/zinc/02/24/47/621022447.db2.gz KTAVCVDJMCIRAE-FNORWQNLSA-N 0 0 316.357 3.017 20 10 DGCDRN C[C@@H](NC(=O)NCC[C@H]1CC1(F)F)c1ccc(N(C)C)cc1 ZINC000856847974 621028513 /nfs/dbraw/zinc/02/85/13/621028513.db2.gz AANVTZLNCYWQAO-YPMHNXCESA-N 0 0 311.376 3.158 20 10 DGCDRN Cc1ccc(NC(=S)NNc2ccc3c(cc[nH]c3=O)c2)cc1 ZINC000789320407 625459159 /nfs/dbraw/zinc/45/91/59/625459159.db2.gz SWPITRQUMSFNFT-UHFFFAOYSA-N 0 0 324.409 3.150 20 10 DGCDRN Oc1cc2c(cc1CNc1cnn(C3CCCC3)c1)OCO2 ZINC000922625175 621070704 /nfs/dbraw/zinc/07/07/04/621070704.db2.gz JGYGBPLDVXXJAT-UHFFFAOYSA-N 0 0 301.346 3.045 20 10 DGCDRN CCc1ccccc1CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000857442841 621088522 /nfs/dbraw/zinc/08/85/22/621088522.db2.gz WULANHZWGIOTTH-UHFFFAOYSA-N 0 0 322.452 3.490 20 10 DGCDRN COc1cc(Cl)c(F)c(C(=O)N(C)Cc2ccccc2O)c1 ZINC000857466925 621089683 /nfs/dbraw/zinc/08/96/83/621089683.db2.gz LUGYUBKGFNSLFC-UHFFFAOYSA-N 0 0 323.751 3.466 20 10 DGCDRN CCc1cccc(C(=O)NCc2c(O)ccc3c2CCCC3)n1 ZINC000857472998 621090378 /nfs/dbraw/zinc/09/03/78/621090378.db2.gz QONNBPMBJDCIDI-UHFFFAOYSA-N 0 0 310.397 3.158 20 10 DGCDRN CC(C)Oc1cccc(C(=O)NCc2cc(Cl)ccc2O)n1 ZINC000857547501 621094902 /nfs/dbraw/zinc/09/49/02/621094902.db2.gz HKTZJDZWTMBOQH-UHFFFAOYSA-N 0 0 320.776 3.158 20 10 DGCDRN COCc1cccc(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC000857547795 621094951 /nfs/dbraw/zinc/09/49/51/621094951.db2.gz UJEUGAIOMDMPRF-UHFFFAOYSA-N 0 0 305.761 3.122 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1nc(Cl)cs1 ZINC000857548164 621095398 /nfs/dbraw/zinc/09/53/98/621095398.db2.gz GNOAJTFZTJGHIR-UHFFFAOYSA-N 0 0 303.170 3.086 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2CCSC3(CCC3)C2)c1 ZINC000922842319 621107041 /nfs/dbraw/zinc/10/70/41/621107041.db2.gz LKGIRPVRMXGMNI-LBPRGKRZSA-N 0 0 308.403 3.208 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2Cc3ccncc3C2)c1O ZINC000857875820 621126453 /nfs/dbraw/zinc/12/64/53/621126453.db2.gz CXTBQMAIBNFLKB-UHFFFAOYSA-N 0 0 302.761 3.159 20 10 DGCDRN CCOc1ccc(C[NH2+]C[C@@H]2CC(C)(C)OC2(C)C)c(O)c1 ZINC000922951453 621136421 /nfs/dbraw/zinc/13/64/21/621136421.db2.gz OIFNSUFRMQRTOE-AWEZNQCLSA-N 0 0 307.434 3.474 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC[C@H]1OCCc2ccccc21 ZINC000922958013 621138129 /nfs/dbraw/zinc/13/81/29/621138129.db2.gz MQWGYSAWGQRPLZ-QGZVFWFLSA-N 0 0 319.351 3.464 20 10 DGCDRN CN(C)c1cc(F)c(CNCc2ccccc2[N+](=O)[O-])cc1F ZINC000858097972 621152423 /nfs/dbraw/zinc/15/24/23/621152423.db2.gz CFOBYKBZTZHKSZ-UHFFFAOYSA-N 0 0 321.327 3.229 20 10 DGCDRN CCc1ccc(CNC(=O)NCc2cc(C)ccc2O)s1 ZINC000858141194 621157155 /nfs/dbraw/zinc/15/71/55/621157155.db2.gz MKEJCBJEYIYSDL-UHFFFAOYSA-N 0 0 304.415 3.324 20 10 DGCDRN CC[C@@H](C)C(=O)NCc1cc(NC(=O)[C@@H](C)CC)ccc1O ZINC000923125288 621160187 /nfs/dbraw/zinc/16/01/87/621160187.db2.gz BWLMCKOAKLBOTJ-NEPJUHHUSA-N 0 0 306.406 3.039 20 10 DGCDRN C[C@H](CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccco1 ZINC000858199310 621164395 /nfs/dbraw/zinc/16/43/95/621164395.db2.gz IGWZOCZWLNTYJT-CQSZACIVSA-N 0 0 300.402 3.498 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H]2Cc2ccccc2)c1 ZINC000858249284 621168286 /nfs/dbraw/zinc/16/82/86/621168286.db2.gz NNGNKGHNCBBZNK-NVXWUHKLSA-N 0 0 310.397 3.131 20 10 DGCDRN COc1cc(C)ccc1CNC(=O)NCc1cc(C)ccc1O ZINC000858294591 621172556 /nfs/dbraw/zinc/17/25/56/621172556.db2.gz JPGGGJVMWMVUSW-UHFFFAOYSA-N 0 0 314.385 3.017 20 10 DGCDRN Cc1cnc([C@H](C)CNC(=O)NCc2cc(C)ccc2O)s1 ZINC000858359863 621180836 /nfs/dbraw/zinc/18/08/36/621180836.db2.gz JTYROXIVQZMTPF-LLVKDONJSA-N 0 0 319.430 3.068 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2c3ccccc3O[C@@H]2C)c1 ZINC000858460927 621193704 /nfs/dbraw/zinc/19/37/04/621193704.db2.gz FHVUNFYQWUBARX-PXAZEXFGSA-N 0 0 312.369 3.022 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2c3ccccc3O[C@H]2C)c1 ZINC000858460935 621194026 /nfs/dbraw/zinc/19/40/26/621194026.db2.gz FHVUNFYQWUBARX-YVEFUNNKSA-N 0 0 312.369 3.022 20 10 DGCDRN CC[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000858494122 621197567 /nfs/dbraw/zinc/19/75/67/621197567.db2.gz CXAUSYPRKCYQON-SOCHQFKDSA-N 0 0 317.216 3.004 20 10 DGCDRN CC[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000858494121 621197574 /nfs/dbraw/zinc/19/75/74/621197574.db2.gz CXAUSYPRKCYQON-LAEOZQHASA-N 0 0 317.216 3.004 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(C)c(C)n2)c1 ZINC000840783990 621198923 /nfs/dbraw/zinc/19/89/23/621198923.db2.gz OLFZFCFIYHWRMH-CYBMUJFWSA-N 0 0 314.385 3.041 20 10 DGCDRN CC[C@@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1ccc(F)cc1[O-] ZINC000858541096 621203026 /nfs/dbraw/zinc/20/30/26/621203026.db2.gz RWOFXKJWFVQVFF-OAHLLOKOSA-N 0 0 322.424 3.221 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC(C)(C)C2CCC2)cc1F ZINC000838029456 621203202 /nfs/dbraw/zinc/20/32/02/621203202.db2.gz NQNHUHDJKWSPSC-UHFFFAOYSA-N 0 0 307.413 3.270 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)c2ccn(C)n2)cc1 ZINC000838246888 621227243 /nfs/dbraw/zinc/22/72/43/621227243.db2.gz GJJUBQMQKIHAKU-OAHLLOKOSA-N 0 0 322.412 3.319 20 10 DGCDRN Cc1cc(C(=O)Nc2ccc(F)cn2)c(C)n1-c1ccccn1 ZINC000103071956 621239819 /nfs/dbraw/zinc/23/98/19/621239819.db2.gz HRKXPRVBAZESLR-UHFFFAOYSA-N 0 0 310.332 3.276 20 10 DGCDRN CC(C)[C@@]1(C)C[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000838485000 621259044 /nfs/dbraw/zinc/25/90/44/621259044.db2.gz ALKLRBAFZDYHDU-IEBWSBKVSA-N 0 0 313.445 3.297 20 10 DGCDRN C[C@@H](NC(=O)NC1(C2(C)CC2)CC1)c1ccc(N(C)C)cc1 ZINC000838559150 621262934 /nfs/dbraw/zinc/26/29/34/621262934.db2.gz KREYHGRXYUQMCT-CYBMUJFWSA-N 0 0 301.434 3.446 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCc1cnccc1C ZINC000838675637 621271864 /nfs/dbraw/zinc/27/18/64/621271864.db2.gz HHSSWBPSGUIAFG-UHFFFAOYSA-N 0 0 313.401 3.217 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CC[C@H](C)O1 ZINC000838743660 621274657 /nfs/dbraw/zinc/27/46/57/621274657.db2.gz YBEJLOLXAGUABM-GOEBONIOSA-N 0 0 320.433 3.271 20 10 DGCDRN CC(C)[C@@H]1C[C@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000838761678 621275700 /nfs/dbraw/zinc/27/57/00/621275700.db2.gz WXPABUQPVOWULG-ZWKOTPCHSA-N 0 0 315.461 3.471 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2C[C@]2(C)C(C)C)c1 ZINC000838766090 621276455 /nfs/dbraw/zinc/27/64/55/621276455.db2.gz STCYJQAWGIEFES-UXEPBGEESA-N 0 0 306.406 3.196 20 10 DGCDRN CCn1nncc1CN(c1ccc(OC)cc1)[C@@H](C)C1CC1 ZINC000838895937 621300327 /nfs/dbraw/zinc/30/03/27/621300327.db2.gz QJXXJEAWKNDKGA-ZDUSSCGKSA-N 0 0 300.406 3.112 20 10 DGCDRN CCOc1cc(CN(C)c2ccc3c(c2)OCO3)ccc1O ZINC000839004066 621313189 /nfs/dbraw/zinc/31/31/89/621313189.db2.gz NNFBTHIHIPYAJQ-UHFFFAOYSA-N 0 0 301.342 3.156 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC[C@H]2C)cc1 ZINC000859728083 621314806 /nfs/dbraw/zinc/31/48/06/621314806.db2.gz UUSXALCWCWCVLS-CQSZACIVSA-N 0 0 324.424 3.460 20 10 DGCDRN Cc1cc(Br)cc(CN2CC3(CC(F)C3)C2)c1O ZINC000839140510 621340559 /nfs/dbraw/zinc/34/05/59/621340559.db2.gz RJEOMPRXDSCRFI-UHFFFAOYSA-N 0 0 314.198 3.397 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c1 ZINC000839192366 621347774 /nfs/dbraw/zinc/34/77/74/621347774.db2.gz OCYBFBBZFRCJBD-QWRGUYRKSA-N 0 0 314.248 3.153 20 10 DGCDRN C/C(=C\C(=O)N1CCCc2ccc(C)c(C)c21)c1cnccn1 ZINC000839438651 621374428 /nfs/dbraw/zinc/37/44/28/621374428.db2.gz QKZWYOMXJABWQT-SDNWHVSQSA-N 0 0 307.397 3.476 20 10 DGCDRN O=C(CC(C1CCC1)C1CCC1)NCCc1ccc(O)c(O)c1 ZINC000860236702 621385271 /nfs/dbraw/zinc/38/52/71/621385271.db2.gz KZRKIFIHVSCXEM-UHFFFAOYSA-N 0 0 317.429 3.363 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2coc(C(F)F)c2)c1 ZINC000860242984 621385802 /nfs/dbraw/zinc/38/58/02/621385802.db2.gz XVRUSWJDRXFNAY-MRVPVSSYSA-N 0 0 311.284 3.422 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@H](C)C(F)(F)F)c1 ZINC000860242082 621385836 /nfs/dbraw/zinc/38/58/36/621385836.db2.gz OWMLQHKWIVYRCB-IUCAKERBSA-N 0 0 305.296 3.167 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CSC[C@H]2C)cc1 ZINC000804967333 621391134 /nfs/dbraw/zinc/39/11/34/621391134.db2.gz OJFLDSKOCWHQIS-CJNGLKHVSA-N 0 0 321.490 3.084 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NCCSC(C)C)cc1 ZINC000804967397 621391376 /nfs/dbraw/zinc/39/13/76/621391376.db2.gz QLTZWZGXHZVJNZ-UHFFFAOYSA-N 0 0 323.506 3.474 20 10 DGCDRN CC[C@H]([NH2+]CCOC[C@@H]1CCCO1)c1cccc(Cl)c1[O-] ZINC000806139913 621393342 /nfs/dbraw/zinc/39/33/42/621393342.db2.gz SHJBMRTVBSBTEF-WFASDCNBSA-N 0 0 313.825 3.282 20 10 DGCDRN CO[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000752473924 621394473 /nfs/dbraw/zinc/39/44/73/621394473.db2.gz NYFQBKFOYJBZDB-MRXNPFEDSA-N 0 0 316.376 3.094 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000752645004 621402865 /nfs/dbraw/zinc/40/28/65/621402865.db2.gz JTTVQCKWPGVBJQ-LLVKDONJSA-N 0 0 323.801 3.401 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCc2ccccc2C1 ZINC000117499103 621406433 /nfs/dbraw/zinc/40/64/33/621406433.db2.gz PZQJWMZYAWQYFH-OAHLLOKOSA-N 0 0 324.424 3.339 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2cccnc2OC(C)C)c1 ZINC000860466287 621408071 /nfs/dbraw/zinc/40/80/71/621408071.db2.gz RLXGZFQAOFALTJ-UHFFFAOYSA-N 0 0 315.373 3.205 20 10 DGCDRN CC[C@H](C)c1nnc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)[nH]1 ZINC000752924594 621416120 /nfs/dbraw/zinc/41/61/20/621416120.db2.gz HTYTWOZOCSUMII-NWDGAFQWSA-N 0 0 319.428 3.374 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](c1ccccc1)C1CC1 ZINC000117570573 621416414 /nfs/dbraw/zinc/41/64/14/621416414.db2.gz TWYZUOLUXKDAPS-SSVWKNEZSA-N 0 0 309.365 3.379 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC12CCC(CC1)C2 ZINC000753191123 621430345 /nfs/dbraw/zinc/43/03/45/621430345.db2.gz ODLPPJZXQXMXIX-UHFFFAOYSA-N 0 0 301.434 3.193 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCCCS2)c1 ZINC000753261436 621434326 /nfs/dbraw/zinc/43/43/26/621434326.db2.gz IBWKYHDKWUPEER-AAEUAGOBSA-N 0 0 324.446 3.047 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H](C(C)(C)C)C(F)(F)F)c1 ZINC000860966336 621463585 /nfs/dbraw/zinc/46/35/85/621463585.db2.gz VSAZFJHEHVADTA-LBPRGKRZSA-N 0 0 318.339 3.477 20 10 DGCDRN Cc1ccccc1NNC(=S)Nc1ccc2c(c1)OCCO2 ZINC000753789311 621464962 /nfs/dbraw/zinc/46/49/62/621464962.db2.gz MNYCEDWZXZJTPN-UHFFFAOYSA-N 0 0 315.398 3.080 20 10 DGCDRN COc1ccc2c(c1)CCCN2C[C@H](O)CCc1ccccc1 ZINC000754008973 621479561 /nfs/dbraw/zinc/47/95/61/621479561.db2.gz JJQIXAJEKDUZHE-GOSISDBHSA-N 0 0 311.425 3.442 20 10 DGCDRN CCN(Cc1ccnc(N(C)C)c1)c1ccc(OC)c(OC)c1 ZINC000754058072 621483349 /nfs/dbraw/zinc/48/33/49/621483349.db2.gz CYEFRLWYJWZGLW-UHFFFAOYSA-N 0 0 315.417 3.191 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2cc3c(cn2)CCCC3)c1 ZINC000861137573 621486593 /nfs/dbraw/zinc/48/65/93/621486593.db2.gz RZFMGCAZSXQKGW-UHFFFAOYSA-N 0 0 311.385 3.296 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@]1(C)CCOC1 ZINC000754359292 621505545 /nfs/dbraw/zinc/50/55/45/621505545.db2.gz RTFJUAJUFFHPMN-LJQANCHMSA-N 0 0 316.445 3.062 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CC(C)C2)ccc1C ZINC000861333394 621506144 /nfs/dbraw/zinc/50/61/44/621506144.db2.gz APRPBOCFZJPPFO-UHFFFAOYSA-N 0 0 310.397 3.307 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cnn(CCF)c1 ZINC000861486108 621517651 /nfs/dbraw/zinc/51/76/51/621517651.db2.gz CTZYRVLVYWKHRG-UHFFFAOYSA-N 0 0 320.368 3.002 20 10 DGCDRN COC(=O)c1ccc2c(c1)CN(Cc1cc(C)cc(C)c1O)C2 ZINC000754727464 621528550 /nfs/dbraw/zinc/52/85/50/621528550.db2.gz XHNJMKSLFNKSPD-UHFFFAOYSA-N 0 0 311.381 3.311 20 10 DGCDRN Cc1cc(C)c(O)c(CN2C[C@H](C)O[C@H](C(F)(F)F)C2)c1 ZINC000754736839 621529401 /nfs/dbraw/zinc/52/94/01/621529401.db2.gz NWLNAILVGIYEDQ-AAEUAGOBSA-N 0 0 303.324 3.161 20 10 DGCDRN CSc1cc(O)ccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000754746675 621530600 /nfs/dbraw/zinc/53/06/00/621530600.db2.gz JWMNMEFNPYXOAA-XVNBXDOJSA-N 0 0 317.366 3.177 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCS[C@H](C)[C@@H]1C ZINC000118581813 621539660 /nfs/dbraw/zinc/53/96/60/621539660.db2.gz QUOVEJMMOPHHDO-UONOGXRCSA-N 0 0 321.490 3.096 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2csc(C=O)c2)cc1 ZINC000754991321 621545420 /nfs/dbraw/zinc/54/54/20/621545420.db2.gz UFTYTPSERSZHFF-UHFFFAOYSA-N 0 0 316.426 3.337 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)C[C@H](C)COC)cc1 ZINC000755080411 621550864 /nfs/dbraw/zinc/55/08/64/621550864.db2.gz AGHDLBHYHQFHQJ-HNNXBMFYSA-N 0 0 306.450 3.164 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@H]2CC23CC3)ccc1C ZINC000862036120 621551460 /nfs/dbraw/zinc/55/14/60/621551460.db2.gz PCIKTEPCHVUYOM-SFHVURJKSA-N 0 0 322.408 3.497 20 10 DGCDRN Cc1cccc(CN(C)Cc2cc(F)c(N(C)C)cc2F)n1 ZINC000862248864 621567204 /nfs/dbraw/zinc/56/72/04/621567204.db2.gz SXJOWWJNIWZLIU-UHFFFAOYSA-N 0 0 305.372 3.366 20 10 DGCDRN C[C@@H]1CN(Cc2cc(F)c(N(C)C)cc2F)C[C@@H](C2CC2)O1 ZINC000862352109 621576814 /nfs/dbraw/zinc/57/68/14/621576814.db2.gz ZFGVUZYHTNJTKQ-DIFFPNOSSA-N 0 0 310.388 3.030 20 10 DGCDRN COC[C@H](C)CC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000755811474 621595036 /nfs/dbraw/zinc/59/50/36/621595036.db2.gz YWGMCTCDURZPOC-CQSZACIVSA-N 0 0 317.385 3.187 20 10 DGCDRN CCCCCc1cc(C(=O)NCc2cc(C)ccc2O)[nH]n1 ZINC000862753916 621613113 /nfs/dbraw/zinc/61/31/13/621613113.db2.gz LEZYBUDEWATOKZ-UHFFFAOYSA-N 0 0 301.390 3.086 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)C[C@H](C)N2CCc3ccccc32)c1 ZINC000862754180 621613159 /nfs/dbraw/zinc/61/31/59/621613159.db2.gz TXUZFIQDZRPOGZ-HNNXBMFYSA-N 0 0 324.424 3.158 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2SCCc3ccccc32)c1 ZINC000862759611 621614266 /nfs/dbraw/zinc/61/42/66/621614266.db2.gz HDYDULJAFMZORL-KRWDZBQOSA-N 0 0 313.422 3.347 20 10 DGCDRN Cc1nc2ccccc2n1CCC(=O)NCc1cc(C)ccc1O ZINC000862757574 621614322 /nfs/dbraw/zinc/61/43/22/621614322.db2.gz YWSIUQICKQNMGY-UHFFFAOYSA-N 0 0 323.396 3.065 20 10 DGCDRN CO[C@@H](C)c1nc(C)c(C(=O)NCc2cc(C)ccc2O)s1 ZINC000862758473 621614366 /nfs/dbraw/zinc/61/43/66/621614366.db2.gz ZVYPZKHKBUTSQJ-NSHDSACASA-N 0 0 320.414 3.103 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H](C)CCOc2ccccc2)c1 ZINC000862760226 621614678 /nfs/dbraw/zinc/61/46/78/621614678.db2.gz OBDKQBKWNWRABP-HNNXBMFYSA-N 0 0 313.397 3.422 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CCOc2ccc(C)c(C)c2)c1 ZINC000862760702 621614714 /nfs/dbraw/zinc/61/47/14/621614714.db2.gz URZCTTSPPPROMD-UHFFFAOYSA-N 0 0 313.397 3.403 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2C[C@@]23CCc2ccccc23)c1 ZINC000862760529 621614792 /nfs/dbraw/zinc/61/47/92/621614792.db2.gz UBVAPPAZRIZMTG-YLJYHZDGSA-N 0 0 307.393 3.221 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CC[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000756141822 621618016 /nfs/dbraw/zinc/61/80/16/621618016.db2.gz ZAULWCNYPQQALG-BRLPQQTGSA-N 0 0 318.373 3.263 20 10 DGCDRN O=C(N[C@@H](CCc1ccccc1)C(F)F)C1=CC(=O)CS1 ZINC000862807376 621619351 /nfs/dbraw/zinc/61/93/51/621619351.db2.gz JGURCTIZCGXGEA-LBPRGKRZSA-N 0 0 311.353 3.450 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(C)c(F)c2)c1 ZINC000756366504 621631908 /nfs/dbraw/zinc/63/19/08/621631908.db2.gz SYRSMJVUHTWULF-LBPRGKRZSA-N 0 0 317.360 3.477 20 10 DGCDRN CC(C)N(CC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C(C)C ZINC000756369617 621632236 /nfs/dbraw/zinc/63/22/36/621632236.db2.gz CRZZVZMKGRFYBL-GFCCVEGCSA-N 0 0 300.393 3.440 20 10 DGCDRN CC[C@@H](C)C(=O)COC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000756372039 621632336 /nfs/dbraw/zinc/63/23/36/621632336.db2.gz PAWXUVZEYQSOMX-GFCCVEGCSA-N 0 0 314.385 3.261 20 10 DGCDRN Cc1cc(CC(=O)NCc2cc(C)n(-c3ccccc3)c2C)no1 ZINC000863166252 621644441 /nfs/dbraw/zinc/64/44/41/621644441.db2.gz VEWZGOKWBVKASW-UHFFFAOYSA-N 0 0 323.396 3.249 20 10 DGCDRN Cc1cc(CNC(=O)CCC(C)(C)O)c(C)n1-c1ccccc1 ZINC000863165799 621644599 /nfs/dbraw/zinc/64/45/99/621644599.db2.gz OFOWYVLLDOFLPP-UHFFFAOYSA-N 0 0 314.429 3.261 20 10 DGCDRN COCC1(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000863166373 621644705 /nfs/dbraw/zinc/64/47/05/621644705.db2.gz YZUXKHJSJSTLHB-UHFFFAOYSA-N 0 0 312.413 3.137 20 10 DGCDRN Cc1cc(CNC(=O)[C@@H]2CCO[C@H]2C)c(C)n1-c1ccccc1 ZINC000863165736 621644740 /nfs/dbraw/zinc/64/47/40/621644740.db2.gz MLSGPVJVYBPAKV-MAUKXSAKSA-N 0 0 312.413 3.135 20 10 DGCDRN CO[C@@H](C)CC[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756526982 621644948 /nfs/dbraw/zinc/64/49/48/621644948.db2.gz IPHCPXLLRDQBMP-IUCAKERBSA-N 0 0 320.202 3.369 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2Cc3ccccc32)c1 ZINC000756535846 621645766 /nfs/dbraw/zinc/64/57/66/621645766.db2.gz RUDPWPCKIPNHIK-SWLSCSKDSA-N 0 0 311.381 3.169 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000119321052 621647248 /nfs/dbraw/zinc/64/72/48/621647248.db2.gz MZTIONWZQMFERY-UHFFFAOYSA-N 0 0 310.275 3.473 20 10 DGCDRN COC1CCN(C(C)(C)C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000756549317 621647357 /nfs/dbraw/zinc/64/73/57/621647357.db2.gz DVTWMWKJJKOAAT-ZDUSSCGKSA-N 0 0 324.440 3.071 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cc(C(C)C)no2)c1 ZINC000756573879 621650138 /nfs/dbraw/zinc/65/01/38/621650138.db2.gz SOIWPIZMBFTLMR-NSHDSACASA-N 0 0 318.373 3.141 20 10 DGCDRN C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756571685 621650405 /nfs/dbraw/zinc/65/04/05/621650405.db2.gz IYGPHZSLOPCROJ-PIGZYNQJSA-N 0 0 307.340 3.229 20 10 DGCDRN Cc1ccccc1[C@H](O)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756576277 621650830 /nfs/dbraw/zinc/65/08/30/621650830.db2.gz LXPPJZWTGVGGIF-BDJLRTHQSA-N 0 0 307.340 3.363 20 10 DGCDRN CCSCC[C@@H](C)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756618425 621653282 /nfs/dbraw/zinc/65/32/82/621653282.db2.gz PXNGTRYJTVLFFP-VXGBXAGGSA-N 0 0 311.447 3.361 20 10 DGCDRN COC(C)(C)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756644536 621655605 /nfs/dbraw/zinc/65/56/05/621655605.db2.gz BAZFCOUEVHDRDN-QMMMGPOBSA-N 0 0 320.202 3.369 20 10 DGCDRN C[C@H](CCCO)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756647992 621655685 /nfs/dbraw/zinc/65/56/85/621655685.db2.gz VFWMNSJZZUZZMC-BDAKNGLRSA-N 0 0 320.202 3.105 20 10 DGCDRN C[C@H](CCCO)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756647995 621655735 /nfs/dbraw/zinc/65/57/35/621655735.db2.gz VFWMNSJZZUZZMC-RKDXNWHRSA-N 0 0 320.202 3.105 20 10 DGCDRN COC(C)(C)C[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756648138 621655868 /nfs/dbraw/zinc/65/58/68/621655868.db2.gz YWMWCFKUHDICNS-MRVPVSSYSA-N 0 0 320.202 3.369 20 10 DGCDRN Cc1ccc(-c2noc(CN(C)c3ccc4c(c3)OCO4)n2)cc1 ZINC000756654440 621656702 /nfs/dbraw/zinc/65/67/02/621656702.db2.gz UFYLRWASLZGNMC-UHFFFAOYSA-N 0 0 323.352 3.410 20 10 DGCDRN COc1ccc(C)cc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756672829 621657887 /nfs/dbraw/zinc/65/78/87/621657887.db2.gz TXKBCHUAICCSIJ-LBPRGKRZSA-N 0 0 316.357 3.468 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756687465 621658211 /nfs/dbraw/zinc/65/82/11/621658211.db2.gz UTLAHFZRYYFXSR-JTQLQIEISA-N 0 0 317.301 3.059 20 10 DGCDRN Cc1ccncc1[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756674935 621658400 /nfs/dbraw/zinc/65/84/00/621658400.db2.gz DOHVXYLZDKJKSN-VXGBXAGGSA-N 0 0 301.346 3.416 20 10 DGCDRN C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756677178 621658554 /nfs/dbraw/zinc/65/85/54/621658554.db2.gz PZVGMFOMHLEBCX-GPCCPHFNSA-N 0 0 311.328 3.426 20 10 DGCDRN C[C@@H]([NH2+]Cc1cccc2c1OCCO2)c1ccc(F)cc1[O-] ZINC000756705823 621658812 /nfs/dbraw/zinc/65/88/12/621658812.db2.gz VSORQHXGVVBKDI-LLVKDONJSA-N 0 0 303.333 3.153 20 10 DGCDRN C[C@@H]([NH2+]CC1Cc2ccccc2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756711047 621659586 /nfs/dbraw/zinc/65/95/86/621659586.db2.gz HTUSBGHUVYNICM-GFCCVEGCSA-N 0 0 312.369 3.366 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCOC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756770562 621663384 /nfs/dbraw/zinc/66/33/84/621663384.db2.gz WBYOGRWHQFVEQA-IONNQARKSA-N 0 0 320.614 3.248 20 10 DGCDRN CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756768979 621663481 /nfs/dbraw/zinc/66/34/81/621663481.db2.gz CGQRPFFYBUEEQF-ZUZCIYMTSA-N 0 0 301.377 3.364 20 10 DGCDRN CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1(C)C ZINC000756788829 621664744 /nfs/dbraw/zinc/66/47/44/621664744.db2.gz DBHIUPVRDSPCRE-ANGCBRKESA-N 0 0 308.378 3.011 20 10 DGCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2ccc3c(c2)OCO3)c1 ZINC000756795244 621665308 /nfs/dbraw/zinc/66/53/08/621665308.db2.gz JZHANXSZFRGRNS-JTQLQIEISA-N 0 0 315.325 3.081 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CSC[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000863355229 621666963 /nfs/dbraw/zinc/66/69/63/621666963.db2.gz NOTCYXAIVSFIMY-MUJYYYPQSA-N 0 0 318.486 3.148 20 10 DGCDRN COc1ccc(O)c([C@@H](C)Nc2cnn(-c3ccccn3)c2)c1 ZINC000756856837 621668805 /nfs/dbraw/zinc/66/88/05/621668805.db2.gz LRBLGLIBFKEQMX-GFCCVEGCSA-N 0 0 310.357 3.155 20 10 DGCDRN Cc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccccc3)[n-]2)c(O)c1 ZINC000756866814 621669326 /nfs/dbraw/zinc/66/93/26/621669326.db2.gz DPLVLNDTXZOGPT-ZDUSSCGKSA-N 0 0 308.385 3.337 20 10 DGCDRN CC[C@H]1CC[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)O1 ZINC000756916354 621672840 /nfs/dbraw/zinc/67/28/40/621672840.db2.gz LWNYURVRYYSAPX-ZWKOTPCHSA-N 0 0 318.461 3.447 20 10 DGCDRN CS[C@@H](C)CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000756946617 621674479 /nfs/dbraw/zinc/67/44/79/621674479.db2.gz OPKQFJUNUMPAHT-AWEZNQCLSA-N 0 0 306.475 3.435 20 10 DGCDRN CSc1cc(C)ccc1CNC(=O)NCc1ccccc1O ZINC000756970509 621676786 /nfs/dbraw/zinc/67/67/86/621676786.db2.gz SGDRNZUMUXIWCB-UHFFFAOYSA-N 0 0 316.426 3.422 20 10 DGCDRN C[C@@H]1CC(F)(F)CCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000863506579 621679016 /nfs/dbraw/zinc/67/90/16/621679016.db2.gz DOBDDYBRMDABFU-GFCCVEGCSA-N 0 0 311.376 3.082 20 10 DGCDRN CCc1cccc(CC)c1NC(=O)CN(C)c1ccc(N)cc1 ZINC000863555653 621682826 /nfs/dbraw/zinc/68/28/26/621682826.db2.gz GPRCLDFDFCOOKQ-UHFFFAOYSA-N 0 0 311.429 3.469 20 10 DGCDRN C[C@H]1CCc2ccccc2N1C(=O)CN(C)c1ccc(N)cc1 ZINC000863557095 621683465 /nfs/dbraw/zinc/68/34/65/621683465.db2.gz ICUYWVWQJJGHAT-AWEZNQCLSA-N 0 0 309.413 3.073 20 10 DGCDRN Cc1ccc(CN(C(=O)CN(C)c2ccc(N)cc2)C2CC2)cc1 ZINC000863557425 621683471 /nfs/dbraw/zinc/68/34/71/621683471.db2.gz OLYHLUCGNORRFZ-UHFFFAOYSA-N 0 0 323.440 3.205 20 10 DGCDRN CN(Cc1ccc(Cl)s1)C(=O)CN(C)c1ccc(N)cc1 ZINC000863557482 621683499 /nfs/dbraw/zinc/68/34/99/621683499.db2.gz PIQCNKKMNSVKSU-UHFFFAOYSA-N 0 0 323.849 3.079 20 10 DGCDRN C[C@@H]1CCc2ccccc2N1C(=O)CN(C)c1ccc(N)cc1 ZINC000863557096 621683645 /nfs/dbraw/zinc/68/36/45/621683645.db2.gz ICUYWVWQJJGHAT-CQSZACIVSA-N 0 0 309.413 3.073 20 10 DGCDRN [NH3+]C[C@@H]1CN(Cc2cccc(Cl)c2[O-])CC[C@@H]1C(F)(F)F ZINC000863645975 621693273 /nfs/dbraw/zinc/69/32/73/621693273.db2.gz OZHJDYCLPVBECJ-MNOVXSKESA-N 0 0 322.758 3.005 20 10 DGCDRN COc1cc2c(c(OC)c1)N(Cc1ccc(CO)cc1)CCC2 ZINC000839656432 621704151 /nfs/dbraw/zinc/70/41/51/621704151.db2.gz KUQIAAHLGZECKC-UHFFFAOYSA-N 0 0 313.397 3.149 20 10 DGCDRN COc1cc2c(c(OC)c1)N(CCC1CCOCC1)CCC2 ZINC000839654543 621704390 /nfs/dbraw/zinc/70/43/90/621704390.db2.gz IWCVRMMSULPHSN-UHFFFAOYSA-N 0 0 305.418 3.273 20 10 DGCDRN COc1cccc(CNC(=O)Cc2ccc(F)cc2Cl)c1O ZINC000119646874 621711454 /nfs/dbraw/zinc/71/14/54/621711454.db2.gz NPHOSCCRJAAFIM-UHFFFAOYSA-N 0 0 323.751 3.052 20 10 DGCDRN C[C@H](NC(=O)[C@@H]1CCc2ccccc2O1)c1ccc(N(C)C)cc1 ZINC000839727651 621717392 /nfs/dbraw/zinc/71/73/92/621717392.db2.gz AEBIMXZXKMKHFQ-LIRRHRJNSA-N 0 0 324.424 3.324 20 10 DGCDRN COc1ccc(CNC(=O)Cc2cccc(C3CC3)c2)c(O)c1 ZINC000839747444 621719880 /nfs/dbraw/zinc/71/98/80/621719880.db2.gz JNJNSNKMYGIRTE-UHFFFAOYSA-N 0 0 311.381 3.137 20 10 DGCDRN Cc1cc(NCc2cc(F)c(N(C)C)cc2F)ccc1C(N)=O ZINC000864004038 621726272 /nfs/dbraw/zinc/72/62/72/621726272.db2.gz DJLBCIWXEQLAII-UHFFFAOYSA-N 0 0 319.355 3.050 20 10 DGCDRN CN=[S@](C)(=O)c1cccc(NCc2cc(C)ccc2O)c1 ZINC000864014892 621727379 /nfs/dbraw/zinc/72/73/79/621727379.db2.gz ZCZHZHRSSHJUGX-OAQYLSRUSA-N 0 0 304.415 3.399 20 10 DGCDRN CN=[S@@](C)(=O)c1cccc(NCc2cccc(C)c2O)c1 ZINC000864014233 621727496 /nfs/dbraw/zinc/72/74/96/621727496.db2.gz NEQYAVXQJBSPHZ-NRFANRHFSA-N 0 0 304.415 3.399 20 10 DGCDRN C[C@H](Nc1cccc([C@@H]2CNC(=O)C2)c1)c1ccc(F)cc1O ZINC000757619069 621728936 /nfs/dbraw/zinc/72/89/36/621728936.db2.gz KJXQLDIWIPQJRV-AAEUAGOBSA-N 0 0 314.360 3.308 20 10 DGCDRN C[C@@H](Nc1cccc([C@@H]2CNC(=O)C2)c1)c1cc(F)ccc1O ZINC000757619857 621729077 /nfs/dbraw/zinc/72/90/77/621729077.db2.gz UZAILAULKKJYCO-YPMHNXCESA-N 0 0 314.360 3.308 20 10 DGCDRN Cc1[nH+]c2cc(NCc3ccc(F)c(F)c3[O-])ccc2n1C ZINC000864031015 621729145 /nfs/dbraw/zinc/72/91/45/621729145.db2.gz SPDHICYHBHSZOM-UHFFFAOYSA-N 0 0 303.312 3.478 20 10 DGCDRN [O-]c1c(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)ccc(F)c1F ZINC000864049346 621731839 /nfs/dbraw/zinc/73/18/39/621731839.db2.gz FVZKLUZQGVXPEB-IUODEOHRSA-N 0 0 311.372 3.452 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCCCS2)c1 ZINC000757659772 621731953 /nfs/dbraw/zinc/73/19/53/621731953.db2.gz ZJGGVUCOAFGFFP-AAEUAGOBSA-N 0 0 309.431 3.115 20 10 DGCDRN CN(C)c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 ZINC000757718359 621735700 /nfs/dbraw/zinc/73/57/00/621735700.db2.gz REWQGSNLIBYKHX-UHFFFAOYSA-N 0 0 304.777 3.424 20 10 DGCDRN COc1ccc(N(C)CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)cc1F ZINC000757852646 621743329 /nfs/dbraw/zinc/74/33/29/621743329.db2.gz PVWODBAQPSVSOU-XJKSGUPXSA-N 0 0 322.424 3.308 20 10 DGCDRN COc1ccc(N(C)C[C@H](O)Cc2ccccc2)cc1Cl ZINC000757856878 621743420 /nfs/dbraw/zinc/74/34/20/621743420.db2.gz IFJUYNJASBOLRP-OAHLLOKOSA-N 0 0 305.805 3.388 20 10 DGCDRN COc1ccc(N(C)C[C@@H]2COc3ccccc3O2)cc1F ZINC000758143365 621761479 /nfs/dbraw/zinc/76/14/79/621761479.db2.gz UZGFKNBNGWQGLG-CYBMUJFWSA-N 0 0 303.333 3.111 20 10 DGCDRN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc2ccccc2s1 ZINC000758433280 621781830 /nfs/dbraw/zinc/78/18/30/621781830.db2.gz GXROUZDWTSUCOI-PTNGSMBKSA-N 0 0 320.373 3.363 20 10 DGCDRN CC[C@@]1(C)CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000758485939 621784654 /nfs/dbraw/zinc/78/46/54/621784654.db2.gz KSINVOHEDYTAIY-QLBOMPFWSA-N 0 0 318.373 3.407 20 10 DGCDRN CCCCc1nc(COC(=O)c2cccc(O)c2O)cs1 ZINC000758545836 621787946 /nfs/dbraw/zinc/78/79/46/621787946.db2.gz DRFZKNZGHXVPIT-UHFFFAOYSA-N 0 0 307.371 3.254 20 10 DGCDRN C[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)c1ccncc1 ZINC000864861485 621823412 /nfs/dbraw/zinc/82/34/12/621823412.db2.gz BMEBKQNTJDODQO-OAHLLOKOSA-N 0 0 309.413 3.102 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CC23CCCC3)c1 ZINC000759304558 621844645 /nfs/dbraw/zinc/84/46/45/621844645.db2.gz IDLUHWVOQSMWRT-NHYWBVRUSA-N 0 0 304.390 3.094 20 10 DGCDRN C[C@@H]1C[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)[C@H](C)O1 ZINC000865030632 621848497 /nfs/dbraw/zinc/84/84/97/621848497.db2.gz BCAZJRRYDAHIJU-VKJFTORMSA-N 0 0 316.445 3.107 20 10 DGCDRN CCOCCCCCC(=O)NCc1ccc2c(c1)CCCN2C ZINC000865052294 621852617 /nfs/dbraw/zinc/85/26/17/621852617.db2.gz AKFQDJLEVKPRHW-UHFFFAOYSA-N 0 0 318.461 3.282 20 10 DGCDRN COCc1sccc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000865051684 621852661 /nfs/dbraw/zinc/85/26/61/621852661.db2.gz SAXRBEOQGLMMQS-UHFFFAOYSA-N 0 0 322.405 3.030 20 10 DGCDRN CCOc1ccccc1COC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000759592863 621873493 /nfs/dbraw/zinc/87/34/93/621873493.db2.gz AVGHLIBGYRXCFW-NTMALXAHSA-N 0 0 314.337 3.253 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCc1c(F)cccc1F ZINC000759587633 621873626 /nfs/dbraw/zinc/87/36/26/621873626.db2.gz BOSXXTRBWZMKBC-ALCCZGGFSA-N 0 0 306.264 3.133 20 10 DGCDRN CC[C@]1(C)CCN(C(=O)NCCCSc2nccs2)C1 ZINC000759591082 621873638 /nfs/dbraw/zinc/87/36/38/621873638.db2.gz UOHXDODYQCYHCB-CQSZACIVSA-N 0 0 313.492 3.457 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCCCCC(F)(F)F ZINC000759598981 621874402 /nfs/dbraw/zinc/87/44/02/621874402.db2.gz ZZNPZIOLCCHARS-GQCTYLIASA-N 0 0 304.264 3.387 20 10 DGCDRN COC(=O)c1coc(CN(C)c2ccc(OC(C)C)cc2)c1 ZINC000759934444 621903920 /nfs/dbraw/zinc/90/39/20/621903920.db2.gz VKMFITYWAYYJML-UHFFFAOYSA-N 0 0 303.358 3.490 20 10 DGCDRN COC(C)(C)c1nsc(N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000865414313 621914453 /nfs/dbraw/zinc/91/44/53/621914453.db2.gz PFZPHJZAZFPYRW-UHFFFAOYSA-N 0 0 320.462 3.122 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)C[C@@H]1CCOC1 ZINC000760192112 621920008 /nfs/dbraw/zinc/92/00/08/621920008.db2.gz FYIAHBGKJXYSHF-CABCVRRESA-N 0 0 320.433 3.129 20 10 DGCDRN CCCC1(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)CC1 ZINC000760735857 621962520 /nfs/dbraw/zinc/96/25/20/621962520.db2.gz XSWBLUREVCGNAW-UHFFFAOYSA-N 0 0 320.408 3.063 20 10 DGCDRN C[C@@H]([NH2+]CCc1ccn(C)n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000760895719 621972280 /nfs/dbraw/zinc/97/22/80/621972280.db2.gz COKNZVKVGWSZTO-SECBINFHSA-N 0 0 314.216 3.326 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)c2ccc[nH]2)c(C)n1-c1ccccn1 ZINC000760956666 621976630 /nfs/dbraw/zinc/97/66/30/621976630.db2.gz GTQSZONBPRKSAK-CYBMUJFWSA-N 0 0 308.385 3.308 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[C@H](O)C(F)(F)F ZINC000865711830 621981806 /nfs/dbraw/zinc/98/18/06/621981806.db2.gz RNWKCTLATMRRRI-RRAGMBSWSA-N 0 0 318.122 3.100 20 10 DGCDRN CCN(CC)c1ccc(CN2C(=O)NC(CC)(CC)C2=O)cc1 ZINC000761090352 621985260 /nfs/dbraw/zinc/98/52/60/621985260.db2.gz JHVGRUDIHGCBRL-UHFFFAOYSA-N 0 0 317.433 3.143 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CCC12CCOCC2 ZINC000865777008 621993237 /nfs/dbraw/zinc/99/32/37/621993237.db2.gz BMJNWOZGODECDC-LLVKDONJSA-N 0 0 313.800 3.481 20 10 DGCDRN COc1cc(Cl)cc(CN2CC(C)(C)OCC2(C)C)c1O ZINC000761202815 621993937 /nfs/dbraw/zinc/99/39/37/621993937.db2.gz MVFMYECLLHMPSD-UHFFFAOYSA-N 0 0 313.825 3.444 20 10 DGCDRN CC(C)(C)C(=O)N1CCN(Cc2cc(F)ccc2O)C(C)(C)C1 ZINC000761214287 621994863 /nfs/dbraw/zinc/99/48/63/621994863.db2.gz BWXFJJUJVWLJMB-UHFFFAOYSA-N 0 0 322.424 3.000 20 10 DGCDRN COc1ccc(N(C)Cc2cn3cccc(F)c3n2)cc1OC ZINC000761220549 621995106 /nfs/dbraw/zinc/99/51/06/621995106.db2.gz GRUKJOWDPDTCJW-UHFFFAOYSA-N 0 0 315.348 3.127 20 10 DGCDRN COCc1ccc(CN(C)c2ccc(OC)c(OC)c2)cc1 ZINC000761221355 621995231 /nfs/dbraw/zinc/99/52/31/621995231.db2.gz JHXIBHOJNGVLHC-UHFFFAOYSA-N 0 0 301.386 3.487 20 10 DGCDRN Cn1cc(C(F)F)c(CNCc2c(O)cccc2Cl)n1 ZINC000865808715 621999215 /nfs/dbraw/zinc/99/92/15/621999215.db2.gz BFBKCFIJCRHRGC-UHFFFAOYSA-N 0 0 301.724 3.007 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)NC3CC=CC3)cc2)CC1 ZINC000120786685 622011733 /nfs/dbraw/zinc/01/17/33/622011733.db2.gz FAFNNBBBEWJTSQ-UHFFFAOYSA-N 0 0 313.445 3.441 20 10 DGCDRN CC[C@@H](C[C@@H](C)O)[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000865873738 622013276 /nfs/dbraw/zinc/01/32/76/622013276.db2.gz HNBGHGNLDCAHBQ-PWSUYJOCSA-N 0 0 316.239 3.102 20 10 DGCDRN CCCN1C(=O)N([C@@H](C)c2ccc(N(C)C)cc2)C(=O)[C@H]1CC ZINC000761577309 622019029 /nfs/dbraw/zinc/01/90/29/622019029.db2.gz GBIMFAPVUSMQFR-XJKSGUPXSA-N 0 0 317.433 3.266 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CCC(CCF)CC2)cc1OC ZINC000866023066 622034620 /nfs/dbraw/zinc/03/46/20/622034620.db2.gz HGJDFOSQQULWQV-UHFFFAOYSA-N 0 0 312.341 3.188 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C=C\c2ccccc2F)c1 ZINC000761974198 622042928 /nfs/dbraw/zinc/04/29/28/622042928.db2.gz VASUPBMWBRCTRR-MQGYJPLLSA-N 0 0 315.344 3.431 20 10 DGCDRN CC(C)(C)OC(=O)c1cccnc1N1Cc2cccc(O)c2C1 ZINC000866116663 622047959 /nfs/dbraw/zinc/04/79/59/622047959.db2.gz ALAAUBZFRGMTBJ-UHFFFAOYSA-N 0 0 312.369 3.263 20 10 DGCDRN CSc1nc(C(F)F)cc(N2Cc3cccc(O)c3C2)n1 ZINC000866116856 622048130 /nfs/dbraw/zinc/04/81/30/622048130.db2.gz CNLOQEIQYXRXFW-UHFFFAOYSA-N 0 0 309.341 3.362 20 10 DGCDRN C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1O ZINC000866160759 622056713 /nfs/dbraw/zinc/05/67/13/622056713.db2.gz GDUDDAJZNSRYTM-CYBMUJFWSA-N 0 0 313.401 3.019 20 10 DGCDRN C[C@@H](NC(=O)Nc1nnc(C2CC2)s1)c1ccccc1O ZINC000866161835 622056988 /nfs/dbraw/zinc/05/69/88/622056988.db2.gz YBNUVXDQHXDEKL-MRVPVSSYSA-N 0 0 304.375 3.004 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2cncc(C(F)F)c2)cc1 ZINC000866179378 622059760 /nfs/dbraw/zinc/05/97/60/622059760.db2.gz QDIKYTZBKPIJNR-UHFFFAOYSA-N 0 0 320.343 3.407 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccc(C(F)F)cc1 ZINC000762268442 622067169 /nfs/dbraw/zinc/06/71/69/622067169.db2.gz GGQQNOMROXDOCM-UHFFFAOYSA-N 0 0 307.296 3.008 20 10 DGCDRN CN(C)c1ccc(CN[C@@H]2c3ccccc3OC[C@H]2F)cc1 ZINC000866218644 622068266 /nfs/dbraw/zinc/06/82/66/622068266.db2.gz UXLIISBHLLJVOS-SJLPKXTDSA-N 0 0 300.377 3.314 20 10 DGCDRN CC(=O)c1c(NCc2ccc(N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000763207799 622129842 /nfs/dbraw/zinc/12/98/42/622129842.db2.gz ZCZMGVUMVWLWAK-UHFFFAOYSA-N 0 0 313.357 3.476 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866538440 622134669 /nfs/dbraw/zinc/13/46/69/622134669.db2.gz SDBVOLSDGDFFEI-RBOXIYTFSA-N 0 0 320.389 3.014 20 10 DGCDRN CN1CCCc2cc(CNc3ncnc4c3CCCC4)ccc21 ZINC000763344526 622139626 /nfs/dbraw/zinc/13/96/26/622139626.db2.gz DYAKXGOUZMAVDQ-UHFFFAOYSA-N 0 0 308.429 3.350 20 10 DGCDRN Cc1cccc(CO[C@H](C)C(=O)N(C)Cc2ccccc2O)c1 ZINC000866596930 622144025 /nfs/dbraw/zinc/14/40/25/622144025.db2.gz KTFKDXACIAAIGG-OAHLLOKOSA-N 0 0 313.397 3.264 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cnn(C(F)F)c1 ZINC000866598404 622144530 /nfs/dbraw/zinc/14/45/30/622144530.db2.gz BTPRVLFPUBLMSM-UHFFFAOYSA-N 0 0 309.316 3.036 20 10 DGCDRN CC(C)CONC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000121147015 622146353 /nfs/dbraw/zinc/14/63/53/622146353.db2.gz RKAIVTMPMPHRST-UHFFFAOYSA-N 0 0 318.373 3.285 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC(=O)[C@H](C)C1 ZINC000763477288 622147577 /nfs/dbraw/zinc/14/75/77/622147577.db2.gz FSEFLHOTVZKHBC-GDBMZVCRSA-N 0 0 316.445 3.106 20 10 DGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H]2CCC(F)(F)C2)c1[O-] ZINC000763523002 622149972 /nfs/dbraw/zinc/14/99/72/622149972.db2.gz TYKRZECFCHYMHW-SECBINFHSA-N 0 0 306.696 3.231 20 10 DGCDRN CCN(C(=O)CN(C)c1ccc(OC)c(F)c1)c1ccccc1 ZINC000121740420 622176922 /nfs/dbraw/zinc/17/69/22/622176922.db2.gz FFVMPOHKEIHPSA-UHFFFAOYSA-N 0 0 316.376 3.324 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC(=O)[C@@H](C)C1 ZINC000764083585 622178135 /nfs/dbraw/zinc/17/81/35/622178135.db2.gz CZHFACQQPKKUMS-KBPBESRZSA-N 0 0 303.402 3.136 20 10 DGCDRN C[C@@H](NC(=O)[C@@H]1CC(=O)c2ccccc21)c1ccc(N(C)C)cc1 ZINC000789665181 625546776 /nfs/dbraw/zinc/54/67/76/625546776.db2.gz BABPTTDTBJSSCK-FZKQIMNGSA-N 0 0 322.408 3.300 20 10 DGCDRN C[C@H](Cc1ccsc1)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868127190 622216620 /nfs/dbraw/zinc/21/66/20/622216620.db2.gz ZLPXODAROSYODK-NEPJUHHUSA-N 0 0 304.415 3.445 20 10 DGCDRN Nc1ccc(NC(=O)NCC2([C@H]3CCCCO3)CCC2)cc1 ZINC000868162061 622220306 /nfs/dbraw/zinc/22/03/06/622220306.db2.gz CGEPCMACCLZYCT-OAHLLOKOSA-N 0 0 303.406 3.130 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1C[C@@H]1Cc1ccccc1)c1ccccc1O ZINC000868309319 622232940 /nfs/dbraw/zinc/23/29/40/622232940.db2.gz UBJPAHOYOYCGHS-QRTARXTBSA-N 0 0 310.397 3.384 20 10 DGCDRN Cc1nc(C)c(CNC(=O)N[C@@H](C)c2ccccc2O)s1 ZINC000868313334 622233299 /nfs/dbraw/zinc/23/32/99/622233299.db2.gz JQSPWBFZQDJESW-VIFPVBQESA-N 0 0 305.403 3.026 20 10 DGCDRN CCc1cc(NCc2cccc(Br)c2O)nc(C)n1 ZINC000764935307 622234027 /nfs/dbraw/zinc/23/40/27/622234027.db2.gz RFOVEKPOWUDWOE-UHFFFAOYSA-N 0 0 322.206 3.428 20 10 DGCDRN CC(C)C[C@@H](C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000764999632 622238668 /nfs/dbraw/zinc/23/86/68/622238668.db2.gz COQIGAIHKIFTLM-CVEARBPZSA-N 0 0 318.461 3.383 20 10 DGCDRN CC(C)C[C@H](C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000764999635 622238747 /nfs/dbraw/zinc/23/87/47/622238747.db2.gz COQIGAIHKIFTLM-HOTGVXAUSA-N 0 0 318.461 3.383 20 10 DGCDRN C[C@@H](NC(=O)NCCCc1cccs1)c1ccccc1O ZINC000868467976 622246489 /nfs/dbraw/zinc/24/64/89/622246489.db2.gz RTQKJFBOKPKQLO-GFCCVEGCSA-N 0 0 304.415 3.447 20 10 DGCDRN C[C@@H](NC(=O)NCCC1C[C@@H](C)O[C@H](C)C1)c1ccccc1O ZINC000868585480 622260792 /nfs/dbraw/zinc/26/07/92/622260792.db2.gz FPFWLLYUBNVGLT-MGPQQGTHSA-N 0 0 320.433 3.346 20 10 DGCDRN COCC(C)(C)CCCNC(=O)N[C@@H](C)c1ccccc1O ZINC000868611886 622264042 /nfs/dbraw/zinc/26/40/42/622264042.db2.gz NDPVPSLYCWEMEF-ZDUSSCGKSA-N 0 0 308.422 3.205 20 10 DGCDRN COCC1(CNC(=O)N[C@@H](C)c2ccccc2O)CCCCC1 ZINC000868631412 622265872 /nfs/dbraw/zinc/26/58/72/622265872.db2.gz SEFGDQBIBINEKM-AWEZNQCLSA-N 0 0 320.433 3.349 20 10 DGCDRN CCOC1(CNC(=O)N[C@@H](C)c2ccccc2O)CCCC1 ZINC000868650372 622268241 /nfs/dbraw/zinc/26/82/41/622268241.db2.gz GXHBBTZXZLORCM-ZDUSSCGKSA-N 0 0 306.406 3.102 20 10 DGCDRN COC[C@@H](CC(C)(C)C)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868752531 622281105 /nfs/dbraw/zinc/28/11/05/622281105.db2.gz POCJLYRQPXXYOS-QWHCGFSZSA-N 0 0 308.422 3.204 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1Cc2ccccc2[C@@H]1C)c1ccccc1O ZINC000868766717 622282957 /nfs/dbraw/zinc/28/29/57/622282957.db2.gz CSGXAYQITPIFQV-OGHNNQOOSA-N 0 0 310.397 3.481 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCC[C@@H]1CCSC1 ZINC000868831052 622291040 /nfs/dbraw/zinc/29/10/40/622291040.db2.gz QGCADHTZXRGORD-CQSZACIVSA-N 0 0 321.490 3.003 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@H](C)[C@H]2C)cc1 ZINC000765982724 622298414 /nfs/dbraw/zinc/29/84/14/622298414.db2.gz IKQAILGMDONVMP-CVEARBPZSA-N 0 0 312.413 3.344 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCCC[C@@H]2F)c1 ZINC000868919119 622299089 /nfs/dbraw/zinc/29/90/89/622299089.db2.gz XOBJHBCLQLDTTH-DDTOSNHZSA-N 0 0 310.369 3.042 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)CC2CCC2)c1 ZINC000868983469 622306219 /nfs/dbraw/zinc/30/62/19/622306219.db2.gz DXFRVSJITLUVRW-NWDGAFQWSA-N 0 0 306.406 3.340 20 10 DGCDRN CC[C@@H]1CCCC[C@@H]1OCC(=O)NCc1ccc(N(C)C)cc1 ZINC000766332366 622322173 /nfs/dbraw/zinc/32/21/73/622322173.db2.gz NJPOYBRVSHLWKG-AEFFLSMTSA-N 0 0 318.461 3.354 20 10 DGCDRN COc1cc(O)c(C[N@H+](C)Cc2cc(C)ccc2F)cc1OC ZINC000766629492 622343201 /nfs/dbraw/zinc/34/32/01/622343201.db2.gz CBYLBPBJDAOBNG-UHFFFAOYSA-N 0 0 319.376 3.489 20 10 DGCDRN Cc1oc2ccccc2c1CCNC(=O)NCc1ccccc1O ZINC000766661498 622345152 /nfs/dbraw/zinc/34/51/52/622345152.db2.gz YEUKNVPINZURCS-UHFFFAOYSA-N 0 0 324.380 3.489 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](C)[C@@H](C)C1 ZINC000766800486 622353875 /nfs/dbraw/zinc/35/38/75/622353875.db2.gz MWLVYQXKTLVQTG-ZFWWWQNUSA-N 0 0 303.450 3.249 20 10 DGCDRN Cc1csc(CCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000766909965 622360749 /nfs/dbraw/zinc/36/07/49/622360749.db2.gz KVRVFHKJAQHXCP-ZDUSSCGKSA-N 0 0 317.458 3.328 20 10 DGCDRN CCc1cccnc1C(=O)NCCCSc1nccs1 ZINC000766979051 622365756 /nfs/dbraw/zinc/36/57/56/622365756.db2.gz MIKLXVHLFAMDPB-UHFFFAOYSA-N 0 0 307.444 3.013 20 10 DGCDRN CC(C)c1ncc(C(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000122740374 622397785 /nfs/dbraw/zinc/39/77/85/622397785.db2.gz MSAQBLCZLMAWNT-UHFFFAOYSA-N 0 0 303.431 3.263 20 10 DGCDRN CCOc1cncc(NCc2ccc(N3CCCCC3)cc2)n1 ZINC000767806606 622423038 /nfs/dbraw/zinc/42/30/38/622423038.db2.gz HBFHDLZSMYPRRF-UHFFFAOYSA-N 0 0 312.417 3.478 20 10 DGCDRN CC(=O)C(=O)COC(=O)[C@@H]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000870025255 622426752 /nfs/dbraw/zinc/42/67/52/622426752.db2.gz OSHZVUUOACPDNY-LSDHHAIUSA-N 0 0 322.788 3.315 20 10 DGCDRN Oc1ccc(Cl)cc1CN1CCN(Cc2cccs2)CC1 ZINC000768198285 622445008 /nfs/dbraw/zinc/44/50/08/622445008.db2.gz RNPOCZUJQXVGNT-UHFFFAOYSA-N 0 0 322.861 3.425 20 10 DGCDRN Cc1cccc2c1N[C@@H](c1cc(Cl)cc(F)c1O)NC2=O ZINC000768266301 622448098 /nfs/dbraw/zinc/44/80/98/622448098.db2.gz OZSJMLZIFATTLP-CQSZACIVSA-N 0 0 306.724 3.347 20 10 DGCDRN CC(C)(C)Oc1cccc(COC(=O)C2=CC(=O)CS2)n1 ZINC000768568066 622465149 /nfs/dbraw/zinc/46/51/49/622465149.db2.gz VNWQUTUCNVZLAV-UHFFFAOYSA-N 0 0 307.371 3.383 20 10 DGCDRN O=C(/C=C\c1cnc2ccccc2n1)N1CCc2cccc(F)c21 ZINC000768585527 622465777 /nfs/dbraw/zinc/46/57/77/622465777.db2.gz FLJXCEUOFNCBPK-HJWRWDBZSA-N 0 0 319.339 3.371 20 10 DGCDRN Oc1cccc(Cl)c1CNCc1nc(-c2ccccc2)no1 ZINC000768662477 622469777 /nfs/dbraw/zinc/46/97/77/622469777.db2.gz AJFHKLUIZSTFHR-UHFFFAOYSA-N 0 0 315.760 3.385 20 10 DGCDRN COC(=O)CN(Cc1ccccc1)Cc1c(O)cccc1Cl ZINC000768683053 622471144 /nfs/dbraw/zinc/47/11/44/622471144.db2.gz KMLJOXXASBULPG-UHFFFAOYSA-N 0 0 319.788 3.221 20 10 DGCDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)N[C@H]1CNC(=O)C1 ZINC000789833873 625569237 /nfs/dbraw/zinc/56/92/37/625569237.db2.gz NWKRFJDTOUZMIO-OAHLLOKOSA-N 0 0 323.356 3.112 20 10 DGCDRN COc1cccc(CN(C)Cc2ccn(-c3ccccc3)n2)c1O ZINC000768917843 622485297 /nfs/dbraw/zinc/48/52/97/622485297.db2.gz AGAVIVZZIGKTPM-UHFFFAOYSA-N 0 0 323.396 3.219 20 10 DGCDRN CCOc1ccc(CN2CCO[C@H](c3cccs3)C2)c(O)c1 ZINC000769146519 622502056 /nfs/dbraw/zinc/50/20/56/622502056.db2.gz IIRIGYFPKQBCNO-INIZCTEOSA-N 0 0 319.426 3.426 20 10 DGCDRN C[C@@H](NCc1ccc(N2CCCCC2)cc1)C(=O)OC(C)(C)C ZINC000123282003 622506155 /nfs/dbraw/zinc/50/61/55/622506155.db2.gz BQEHCUCIJRWYNH-OAHLLOKOSA-N 0 0 318.461 3.497 20 10 DGCDRN CC[C@H](NC(=O)N(C)Cc1ccccc1O)c1c(C)noc1C ZINC000123328004 622516248 /nfs/dbraw/zinc/51/62/48/622516248.db2.gz AODPFODZVYBNMS-AWEZNQCLSA-N 0 0 317.389 3.290 20 10 DGCDRN COC(=O)[C@@H](c1ccccc1)N(C)Cc1cc(C)c(C)cc1O ZINC000769421415 622526407 /nfs/dbraw/zinc/52/64/07/622526407.db2.gz BQHFGKSXIJHKTA-GOSISDBHSA-N 0 0 313.397 3.355 20 10 DGCDRN CC1(C)C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCS1 ZINC000769446844 622528699 /nfs/dbraw/zinc/52/86/99/622528699.db2.gz CLCJNYLUNHQPTJ-UHFFFAOYSA-N 0 0 316.810 3.281 20 10 DGCDRN CCN(CC)c1ccc(CN2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000769466390 622529956 /nfs/dbraw/zinc/52/99/56/622529956.db2.gz MSMUIYBWJSRGHK-OAHLLOKOSA-N 0 0 316.367 3.296 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(F)c(F)c1 ZINC000769563182 622541419 /nfs/dbraw/zinc/54/14/19/622541419.db2.gz YNBQMMKINSQUBK-UHFFFAOYSA-N 0 0 317.335 3.479 20 10 DGCDRN Cc1cc(C(=O)NCc2c(O)ccc3c2CCCC3)c(C)n1C ZINC000769563922 622541572 /nfs/dbraw/zinc/54/15/72/622541572.db2.gz OBZDDRZHRJBAKH-UHFFFAOYSA-N 0 0 312.413 3.156 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000769656417 622547047 /nfs/dbraw/zinc/54/70/47/622547047.db2.gz GDZFTDATBWGQPT-VIFPVBQESA-N 0 0 309.337 3.362 20 10 DGCDRN Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)ccn1 ZINC000789892865 625576484 /nfs/dbraw/zinc/57/64/84/625576484.db2.gz VFSZTQUNBLYUTH-UHFFFAOYSA-N 0 0 309.413 3.261 20 10 DGCDRN COc1ccccc1NC(=S)NNc1c(C)cccc1F ZINC000769763624 622558312 /nfs/dbraw/zinc/55/83/12/622558312.db2.gz NBNRZWBJDVDSFH-UHFFFAOYSA-N 0 0 305.378 3.456 20 10 DGCDRN Cc1cccc(OCCCC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871197352 622565513 /nfs/dbraw/zinc/56/55/13/622565513.db2.gz AIOFNBJZCDWMFD-UHFFFAOYSA-N 0 0 311.381 3.402 20 10 DGCDRN O=C([C@@H]1C[C@H]1c1cc(F)ccc1F)N1Cc2cccc(O)c2C1 ZINC000871202476 622566529 /nfs/dbraw/zinc/56/65/29/622566529.db2.gz IMYHXWHEODKGCG-GXTWGEPZSA-N 0 0 315.319 3.316 20 10 DGCDRN O=C([C@H]1C[C@@H]1c1cccc(F)c1F)N1Cc2cccc(O)c2C1 ZINC000871202876 622567371 /nfs/dbraw/zinc/56/73/71/622567371.db2.gz NWQYTOIBBDDYPB-OLZOCXBDSA-N 0 0 315.319 3.316 20 10 DGCDRN Cc1cc(C(=O)NC(C)(C)[C@@H](C)O)c(C)n1-c1cccc(C)c1 ZINC000770439332 622634102 /nfs/dbraw/zinc/63/41/02/622634102.db2.gz BTJZBHSLWWOXQM-OAHLLOKOSA-N 0 0 314.429 3.292 20 10 DGCDRN COc1cc(NCc2ccccc2O)ccc1N1CCCC1=O ZINC000770518644 622641200 /nfs/dbraw/zinc/64/12/00/622641200.db2.gz YCFDUBYLFFRJQG-UHFFFAOYSA-N 0 0 312.369 3.140 20 10 DGCDRN COc1c(F)cc(F)cc1NCc1cc2c(cc1O)OCO2 ZINC000770562162 622645629 /nfs/dbraw/zinc/64/56/29/622645629.db2.gz ACNNLAGMBBLBGV-UHFFFAOYSA-N 0 0 309.268 3.020 20 10 DGCDRN CC1(C)CN(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC000888585904 622684015 /nfs/dbraw/zinc/68/40/15/622684015.db2.gz RLCDDCUJWZRFBA-UHFFFAOYSA-N 0 0 321.384 3.270 20 10 DGCDRN CCC1CN(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC000888586092 622685612 /nfs/dbraw/zinc/68/56/12/622685612.db2.gz VIXQTEMCAHDKFE-UHFFFAOYSA-N 0 0 321.384 3.270 20 10 DGCDRN CCCOc1ccc(C[NH2+]Cc2cc(C(=O)[O-])co2)cc1C ZINC000871877587 622726185 /nfs/dbraw/zinc/72/61/85/622726185.db2.gz OPKDORDJKQSSIN-UHFFFAOYSA-N 0 0 303.358 3.365 20 10 DGCDRN CC(=O)C[C@@H](C)NC(=O)c1sccc1-n1c(C)ccc1C ZINC000129341370 625592956 /nfs/dbraw/zinc/59/29/56/625592956.db2.gz JNHVCTCLYVNJCJ-SNVBAGLBSA-N 0 0 304.415 3.253 20 10 DGCDRN C/C=C/C[C@H](CO)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000771611493 622780395 /nfs/dbraw/zinc/78/03/95/622780395.db2.gz LVMVQOAZDBFRHG-LAQIPUCWSA-N 0 0 312.413 3.151 20 10 DGCDRN CC[C@H]([NH2+]CCC[C@H]1CCOC1=O)c1cccc(Cl)c1[O-] ZINC000872112334 622814201 /nfs/dbraw/zinc/81/42/01/622814201.db2.gz JCHTWLFMBCFYCX-FZMZJTMJSA-N 0 0 311.809 3.430 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2(OC(C)C)CCC2)c1 ZINC000872117142 622817941 /nfs/dbraw/zinc/81/79/41/622817941.db2.gz ZAMSECDIVZHLBV-CYBMUJFWSA-N 0 0 321.417 3.177 20 10 DGCDRN CC1CCN(c2ccc(CNc3cc(CO)ccn3)cc2)CC1 ZINC000881960518 625595760 /nfs/dbraw/zinc/59/57/60/625595760.db2.gz LGFGIMYDIYZYTQ-UHFFFAOYSA-N 0 0 311.429 3.422 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@]23CCC[C@H]2OCC3)c1[O-] ZINC000872313917 622889297 /nfs/dbraw/zinc/88/92/97/622889297.db2.gz SYBFEYVFIDJHHO-ZBFHGGJFSA-N 0 0 309.793 3.049 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCCCOc1ccccc1 ZINC000772767312 622936499 /nfs/dbraw/zinc/93/64/99/622936499.db2.gz ADMLRLWKZZHJCJ-CSKARUKUSA-N 0 0 314.337 3.123 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)COC2(C)CCC2)cc1 ZINC000772973652 622959275 /nfs/dbraw/zinc/95/92/75/622959275.db2.gz BWLAHQUZXYORBJ-UHFFFAOYSA-N 0 0 318.461 3.450 20 10 DGCDRN CO[C@@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000772992766 622962041 /nfs/dbraw/zinc/96/20/41/622962041.db2.gz AOTKCCPVLZAKKV-KBXCAEBGSA-N 0 0 312.413 3.318 20 10 DGCDRN CC(C)c1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)[nH]n1 ZINC000773008606 622965002 /nfs/dbraw/zinc/96/50/02/622965002.db2.gz HFTYMCAACYKHMU-LBPRGKRZSA-N 0 0 300.406 3.090 20 10 DGCDRN C[C@H](NC(=O)[C@H]1CC1(Cl)Cl)c1ccc(N(C)C)cc1 ZINC000773008894 622965369 /nfs/dbraw/zinc/96/53/69/622965369.db2.gz HYTOZXRMKCYDGS-JOYOIKCWSA-N 0 0 301.217 3.124 20 10 DGCDRN C[C@@H](NC(=O)Cc1cccc(F)c1F)c1ccc(N(C)C)cc1 ZINC000773014935 622967299 /nfs/dbraw/zinc/96/72/99/622967299.db2.gz NQQIZLATKLTWTF-GFCCVEGCSA-N 0 0 318.367 3.451 20 10 DGCDRN C[C@H](NC(=O)[C@H]1COc2ccccc21)c1ccc(N(C)C)cc1 ZINC000773015008 622968092 /nfs/dbraw/zinc/96/80/92/622968092.db2.gz MXQYWGGQNLKQLO-GUYCJALGSA-N 0 0 310.397 3.106 20 10 DGCDRN C[C@@H](NC(=O)Cc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000773016276 622968194 /nfs/dbraw/zinc/96/81/94/622968194.db2.gz ATRUTIRNKMOPLB-CYBMUJFWSA-N 0 0 300.377 3.312 20 10 DGCDRN C[C@@H](NC(=O)C1=Cc2ccccc2OC1)c1ccc(N(C)C)cc1 ZINC000773017970 622968202 /nfs/dbraw/zinc/96/82/02/622968202.db2.gz JPUCFKKZOUEVBP-CQSZACIVSA-N 0 0 322.408 3.406 20 10 DGCDRN C[C@@H](NC(=O)CCCc1ccccn1)c1ccc(N(C)C)cc1 ZINC000773016721 622968277 /nfs/dbraw/zinc/96/82/77/622968277.db2.gz ATRQLBMCFUGKMD-OAHLLOKOSA-N 0 0 311.429 3.348 20 10 DGCDRN COCc1cccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773018202 622969113 /nfs/dbraw/zinc/96/91/13/622969113.db2.gz IFRBBSLEDYZPQL-CQSZACIVSA-N 0 0 312.413 3.390 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)COC2(C)CCC2)cc1 ZINC000773037243 622971627 /nfs/dbraw/zinc/97/16/27/622971627.db2.gz NNJPDSAXEIDPPG-UHFFFAOYSA-N 0 0 304.434 3.108 20 10 DGCDRN C[C@H](NC(=O)N[C@@H](C)c1ccccn1)c1ccc(N(C)C)cc1 ZINC000773152507 622992117 /nfs/dbraw/zinc/99/21/17/622992117.db2.gz XSJARLLJVUICCP-KBPBESRZSA-N 0 0 312.417 3.269 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccn1 ZINC000773152511 622992616 /nfs/dbraw/zinc/99/26/16/622992616.db2.gz XSJARLLJVUICCP-UONOGXRCSA-N 0 0 312.417 3.269 20 10 DGCDRN Cc1cnc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000773324321 623012432 /nfs/dbraw/zinc/01/24/32/623012432.db2.gz HUJQTYAQLXTJFQ-GFCCVEGCSA-N 0 0 318.446 3.078 20 10 DGCDRN COC(C)(C)C[C@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773327264 623012832 /nfs/dbraw/zinc/01/28/32/623012832.db2.gz WULWCHVFOSQRSH-UONOGXRCSA-N 0 0 321.465 3.316 20 10 DGCDRN COC(C)(C)C[C@@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773327265 623012976 /nfs/dbraw/zinc/01/29/76/623012976.db2.gz WULWCHVFOSQRSH-ZIAGYGMSSA-N 0 0 321.465 3.316 20 10 DGCDRN CSC(C)(C)CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773347421 623015447 /nfs/dbraw/zinc/01/54/47/623015447.db2.gz VNDFAUHZGPCAFU-LBPRGKRZSA-N 0 0 309.479 3.254 20 10 DGCDRN C[C@@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccc[nH]1 ZINC000773425454 623025942 /nfs/dbraw/zinc/02/59/42/623025942.db2.gz UWYDLLQRTKHMRP-CHWSQXEVSA-N 0 0 300.406 3.202 20 10 DGCDRN COc1ccc(CNC(C)(C)C(F)F)cc1Cn1cccn1 ZINC000873118686 623040057 /nfs/dbraw/zinc/04/00/57/623040057.db2.gz QNWNHZKVMGMNBE-UHFFFAOYSA-N 0 0 309.360 3.073 20 10 DGCDRN CCCOc1ccc(CNCc2nnc(CC)s2)cc1C ZINC000873127048 623042438 /nfs/dbraw/zinc/04/24/38/623042438.db2.gz GTADBFOEVWAPLJ-UHFFFAOYSA-N 0 0 305.447 3.488 20 10 DGCDRN CSC[C@@H]1CCCN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773613336 623051132 /nfs/dbraw/zinc/05/11/32/623051132.db2.gz QBEVTCMUDPOANC-CJNGLKHVSA-N 0 0 321.490 3.351 20 10 DGCDRN C[C@H]([NH2+]CCc1cncn1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774365300 623136892 /nfs/dbraw/zinc/13/68/92/623136892.db2.gz XJUSSXXTRBLWEJ-VIFPVBQESA-N 0 0 314.216 3.326 20 10 DGCDRN C[C@H]([NH2+]CCN1CCCC(C)(C)C1)c1cc(F)cc(F)c1[O-] ZINC000774484609 623151393 /nfs/dbraw/zinc/15/13/93/623151393.db2.gz BSFMUNDVLJKTGI-LBPRGKRZSA-N 0 0 312.404 3.443 20 10 DGCDRN CC[C@@H]1COCCN1Cc1cc(Br)cc(C)c1O ZINC000124553706 623158727 /nfs/dbraw/zinc/15/87/27/623158727.db2.gz KJISWNQMXAFCGQ-CYBMUJFWSA-N 0 0 314.223 3.074 20 10 DGCDRN Oc1ccc(CCNc2ncncc2-c2ccccc2)cc1O ZINC000774681700 623175698 /nfs/dbraw/zinc/17/56/98/623175698.db2.gz BKASAEGOKBPYEV-UHFFFAOYSA-N 0 0 307.353 3.209 20 10 DGCDRN CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774963995 623211926 /nfs/dbraw/zinc/21/19/26/623211926.db2.gz MOWITFDTXHGWTB-AAEUAGOBSA-N 0 0 308.378 3.367 20 10 DGCDRN CC1CCC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000873841382 623215556 /nfs/dbraw/zinc/21/55/56/623215556.db2.gz PEBWCGWBYYMSJO-UHFFFAOYSA-N 0 0 302.378 3.500 20 10 DGCDRN Cc1cc(NCc2ccc(N(C)C)cc2)cc(OCCO)c1 ZINC000775031082 623218227 /nfs/dbraw/zinc/21/82/27/623218227.db2.gz AQEDNGRNWOLMQU-UHFFFAOYSA-N 0 0 300.402 3.044 20 10 DGCDRN CCOc1cccc(CNc2cc(C)cc(OCCO)c2)c1O ZINC000775034535 623219092 /nfs/dbraw/zinc/21/90/92/623219092.db2.gz ULGRLSCTIBBASX-UHFFFAOYSA-N 0 0 317.385 3.083 20 10 DGCDRN COc1c([O-])c(C[NH2+]Cc2c(C)cccc2C)ccc1[N+](=O)[O-] ZINC000775037151 623219231 /nfs/dbraw/zinc/21/92/31/623219231.db2.gz LQISIICHRPUHHX-UHFFFAOYSA-N 0 0 316.357 3.216 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000775056109 623222199 /nfs/dbraw/zinc/22/21/99/623222199.db2.gz VTWMANYEGBFTAV-FPMFFAJLSA-N 0 0 320.389 3.320 20 10 DGCDRN CSc1ccc(OCCOC(=O)c2cccc(O)c2O)cc1 ZINC000805532788 623230601 /nfs/dbraw/zinc/23/06/01/623230601.db2.gz SIVRYBDQWNZZKG-UHFFFAOYSA-N 0 0 320.366 3.056 20 10 DGCDRN Cc1cccnc1/C=C\C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775404307 623269479 /nfs/dbraw/zinc/26/94/79/623269479.db2.gz MOAMTPVXLRVSOA-SSCKCOOKSA-N 0 0 309.413 3.347 20 10 DGCDRN CC(=O)C(C)(C)CCC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775404213 623269780 /nfs/dbraw/zinc/26/97/80/623269780.db2.gz MAKFULSVZZRPFU-CYBMUJFWSA-N 0 0 304.434 3.325 20 10 DGCDRN C[C@@H](NC(=O)c1cccc(Cl)n1)c1ccc(N(C)C)cc1 ZINC000775407729 623270629 /nfs/dbraw/zinc/27/06/29/623270629.db2.gz UNJUIJRCNFFNEE-LLVKDONJSA-N 0 0 303.793 3.292 20 10 DGCDRN C[C@@H](NC(=O)c1cc2ccccn2c1)c1ccc(N(C)C)cc1 ZINC000775412217 623271649 /nfs/dbraw/zinc/27/16/49/623271649.db2.gz VDQHORIUFXOQRD-CQSZACIVSA-N 0 0 307.397 3.496 20 10 DGCDRN COc1ncccc1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775432555 623274397 /nfs/dbraw/zinc/27/43/97/623274397.db2.gz ILEQTNCMGPSVFB-LBPRGKRZSA-N 0 0 314.389 3.039 20 10 DGCDRN Cc1cnc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000775432624 623274547 /nfs/dbraw/zinc/27/45/47/623274547.db2.gz KHGWIQXQMMSTNS-LLVKDONJSA-N 0 0 304.419 3.400 20 10 DGCDRN CCn1ccc(C(=O)NCCCSc2nccs2)c1C ZINC000874466237 623274931 /nfs/dbraw/zinc/27/49/31/623274931.db2.gz IZTANAUEJQJLFE-UHFFFAOYSA-N 0 0 309.460 3.185 20 10 DGCDRN C[C@@H]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](C)C1 ZINC000874472051 623276201 /nfs/dbraw/zinc/27/62/01/623276201.db2.gz UVMDUJQQLPFXRG-SUNKGSAMSA-N 0 0 302.378 3.404 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000775665089 623308348 /nfs/dbraw/zinc/30/83/48/623308348.db2.gz XJOAQZHFJHABBE-AWEZNQCLSA-N 0 0 312.816 3.245 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000775663630 623308428 /nfs/dbraw/zinc/30/84/28/623308428.db2.gz PXHYYVUMQOQZHS-UHFFFAOYSA-N 0 0 309.772 3.287 20 10 DGCDRN C[C@@H](NC(=O)Nc1ccc(F)nc1)c1ccc(N(C)C)cc1 ZINC000775680769 623312489 /nfs/dbraw/zinc/31/24/89/623312489.db2.gz GGTVYIAWPDPUQS-LLVKDONJSA-N 0 0 302.353 3.169 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@H+](CCO)CCc1ccccc1 ZINC000775695852 623315679 /nfs/dbraw/zinc/31/56/79/623315679.db2.gz DTBJWRJLTCHSRK-UHFFFAOYSA-N 0 0 323.795 3.222 20 10 DGCDRN C[C@H](NC(=O)Nc1cnn(C(F)F)c1)c1ccc(N(C)C)cc1 ZINC000775706773 623316885 /nfs/dbraw/zinc/31/68/85/623316885.db2.gz DUPCPJVUDAWZPR-JTQLQIEISA-N 0 0 323.347 3.227 20 10 DGCDRN C[N@H+](CCc1nccs1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775733496 623320875 /nfs/dbraw/zinc/32/08/75/623320875.db2.gz FFHCRASAVXJDGK-UHFFFAOYSA-N 0 0 300.786 3.316 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1cccc(C(F)(F)F)n1 ZINC000775741884 623323352 /nfs/dbraw/zinc/32/33/52/623323352.db2.gz MCOTXCWOSROTKM-UHFFFAOYSA-N 0 0 311.263 3.128 20 10 DGCDRN CNC(=O)c1cccc(NCc2cc(Cl)cc(C)c2O)c1 ZINC000775749289 623325191 /nfs/dbraw/zinc/32/51/91/623325191.db2.gz GFVAMTADJWFKNF-UHFFFAOYSA-N 0 0 304.777 3.326 20 10 DGCDRN CCN(C(=O)/C=C/c1cnc(OC)nc1)c1cc(C)ccc1C ZINC000775807669 623335084 /nfs/dbraw/zinc/33/50/84/623335084.db2.gz UYKOJTZGFRHFFG-CMDGGOBGSA-N 0 0 311.385 3.168 20 10 DGCDRN COC(=O)c1sccc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775829241 623338727 /nfs/dbraw/zinc/33/87/27/623338727.db2.gz XTSXEGFPVFTGTD-GFCCVEGCSA-N 0 0 318.442 3.452 20 10 DGCDRN COc1ncc(/C=C/C(=O)N(C)c2ccc(C(C)C)cc2)cn1 ZINC000775875500 623345456 /nfs/dbraw/zinc/34/54/56/623345456.db2.gz CIMZHTFDKKFJCX-BJMVGYQFSA-N 0 0 311.385 3.285 20 10 DGCDRN CCCCOc1ccc(NC(=O)NCc2ccccc2O)cn1 ZINC000776064306 623370994 /nfs/dbraw/zinc/37/09/94/623370994.db2.gz DDTODUYAQQMCMF-UHFFFAOYSA-N 0 0 315.373 3.288 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]CCN1CCc2ccccc21 ZINC000776088602 623374730 /nfs/dbraw/zinc/37/47/30/623374730.db2.gz MGBYRDMZOLNCDS-UHFFFAOYSA-N 0 0 302.805 3.198 20 10 DGCDRN CC[C@@H]1CO[C@@H](C)CN1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776250595 623401712 /nfs/dbraw/zinc/40/17/12/623401712.db2.gz WBUNSRXRRUWJPP-OFQRWUPVSA-N 0 0 319.449 3.023 20 10 DGCDRN CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)C1=CC(=O)CS1 ZINC000776251053 623401767 /nfs/dbraw/zinc/40/17/67/623401767.db2.gz OZZMDRGUCGGESY-LKFCYVNXSA-N 0 0 309.362 3.099 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCO[C@H](C)C2)cc1 ZINC000776294006 623408512 /nfs/dbraw/zinc/40/85/12/623408512.db2.gz LSSFPRSQTKSFHU-NVXWUHKLSA-N 0 0 318.461 3.306 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCO[C@H](C)C1 ZINC000776300976 623409017 /nfs/dbraw/zinc/40/90/17/623409017.db2.gz IZUPQKUSXHHOOI-NVXWUHKLSA-N 0 0 318.461 3.305 20 10 DGCDRN CCc1cccc2c1N(C(=O)/C=C\c1cnc(OC)nc1)CCC2 ZINC000776313376 623410435 /nfs/dbraw/zinc/41/04/35/623410435.db2.gz FATUMBKNTIMVTJ-KTKRTIGZSA-N 0 0 323.396 3.040 20 10 DGCDRN CCOC1(C(=O)NCc2ccc3c(c2)CCCN3C)CCCC1 ZINC000790374650 625645579 /nfs/dbraw/zinc/64/55/79/625645579.db2.gz AWPUUCXJSYZCQB-UHFFFAOYSA-N 0 0 316.445 3.035 20 10 DGCDRN C[C@@H]1C[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)CCO1 ZINC000776342434 623414341 /nfs/dbraw/zinc/41/43/41/623414341.db2.gz GPRNRJWSGKQXHA-WBVHZDCISA-N 0 0 316.445 3.108 20 10 DGCDRN O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1cccc(O)c1O ZINC000776350096 623415146 /nfs/dbraw/zinc/41/51/46/623415146.db2.gz IFZZLTBJQXBZRZ-ZDUSSCGKSA-N 0 0 311.259 3.131 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@H](C)[C@]23C[C@H]2CCCC3)c1 ZINC000875289220 623434496 /nfs/dbraw/zinc/43/44/96/623434496.db2.gz ASDIAKWQMDCWMA-DFHBCGBQSA-N 0 0 318.417 3.169 20 10 DGCDRN Cc1cc(NC(=O)C2=CC(=O)CS2)nn1-c1cccc(F)c1 ZINC000776494726 623435083 /nfs/dbraw/zinc/43/50/83/623435083.db2.gz MDQUSUAUJNKYJU-UHFFFAOYSA-N 0 0 317.345 3.339 20 10 DGCDRN CCS[C@@H]1CCCC[C@@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000875354088 623440715 /nfs/dbraw/zinc/44/07/15/623440715.db2.gz XRDSMUIUAJYKMO-GOEBONIOSA-N 0 0 320.458 3.482 20 10 DGCDRN Oc1cccc(Cl)c1CN1CCO[C@@H](Cc2ccccc2)C1 ZINC000776693464 623452536 /nfs/dbraw/zinc/45/25/36/623452536.db2.gz UCTGGDVYPTZGLG-HNNXBMFYSA-N 0 0 317.816 3.489 20 10 DGCDRN Oc1cccc(Cl)c1CN1CCO[C@H](Cc2ccccc2)C1 ZINC000776693466 623452551 /nfs/dbraw/zinc/45/25/51/623452551.db2.gz UCTGGDVYPTZGLG-OAHLLOKOSA-N 0 0 317.816 3.489 20 10 DGCDRN CC(C)(C)c1ccccc1S(=O)(=O)Nc1ccc(O)cc1 ZINC000776744117 623458185 /nfs/dbraw/zinc/45/81/85/623458185.db2.gz DXJJVVCDXNLFHI-UHFFFAOYSA-N 0 0 305.399 3.491 20 10 DGCDRN CCCOc1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2)cc1 ZINC000776748029 623459054 /nfs/dbraw/zinc/45/90/54/623459054.db2.gz SCDFNTSZTXVGMV-UHFFFAOYSA-N 0 0 321.398 3.290 20 10 DGCDRN CC(C)[C@H](CC(F)(F)F)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875520844 623459666 /nfs/dbraw/zinc/45/96/66/623459666.db2.gz KGVZQBQPMJJVQJ-LBPRGKRZSA-N 0 0 316.323 3.394 20 10 DGCDRN CC[C@@H](CCO)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000125447443 623459690 /nfs/dbraw/zinc/45/96/90/623459690.db2.gz WQDMQOKMBWVCRB-INIZCTEOSA-N 0 0 314.429 3.233 20 10 DGCDRN Cc1ncsc1/C=C/C(=O)N1C[C@@H](C)Oc2ccccc21 ZINC000776839130 623470163 /nfs/dbraw/zinc/47/01/63/623470163.db2.gz OVWVLZOCZJWBDO-WSKFYRRCSA-N 0 0 300.383 3.279 20 10 DGCDRN CCCC1(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000125546185 623481438 /nfs/dbraw/zinc/48/14/38/623481438.db2.gz BCGWKCBWRHCYMP-UHFFFAOYSA-N 0 0 303.450 3.474 20 10 DGCDRN COc1ccc(N2CCC(Nc3ncccc3OC)CC2)cc1 ZINC000777292472 623510197 /nfs/dbraw/zinc/51/01/97/623510197.db2.gz YJNLYBIEWITCNZ-UHFFFAOYSA-N 0 0 313.401 3.180 20 10 DGCDRN COc1ccc(O)c(CN2CCc3cc(OC)c(F)cc3C2)c1 ZINC000777440597 623526166 /nfs/dbraw/zinc/52/61/66/623526166.db2.gz MMAFMSNMWRCZTQ-UHFFFAOYSA-N 0 0 317.360 3.107 20 10 DGCDRN COc1cccc(O)c1CNc1ccc2c(c1)CCCC(=O)N2 ZINC000777496679 623532495 /nfs/dbraw/zinc/53/24/95/623532495.db2.gz RDNOHZPBKAVWBI-UHFFFAOYSA-N 0 0 312.369 3.288 20 10 DGCDRN C[C@H]([NH2+]CCCCCO)c1cc(Br)c(F)cc1[O-] ZINC000790496622 625661124 /nfs/dbraw/zinc/66/11/24/625661124.db2.gz WYCDNGHHAHGELM-VIFPVBQESA-N 0 0 320.202 3.107 20 10 DGCDRN O=C1CCN1c1cccc(NCc2c(O)cccc2Cl)c1 ZINC000790496907 625661163 /nfs/dbraw/zinc/66/11/63/625661163.db2.gz QTYBOTUGBYGZCH-UHFFFAOYSA-N 0 0 302.761 3.394 20 10 DGCDRN C[C@H](NC(=O)N1CCSCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000790503801 625662022 /nfs/dbraw/zinc/66/20/22/625662022.db2.gz XRQPSWXAZSEPPJ-KGLIPLIRSA-N 0 0 321.490 3.351 20 10 DGCDRN Cc1cc(C(=O)N(C)C[C@H](C)O)c(C)n1-c1cc(C)cc(C)c1 ZINC000125997798 623629423 /nfs/dbraw/zinc/62/94/23/623629423.db2.gz OJYIKJYGVHKIGB-HNNXBMFYSA-N 0 0 314.429 3.164 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CCO[C@H](C(C)C)C2)c1O ZINC000778242046 623631450 /nfs/dbraw/zinc/63/14/50/623631450.db2.gz QTGQPXXEOGHXOB-HNNXBMFYSA-N 0 0 311.809 3.105 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccnc(Cl)c1 ZINC000778280265 623635448 /nfs/dbraw/zinc/63/54/48/623635448.db2.gz NBEIWBMOSJRZDZ-UHFFFAOYSA-N 0 0 318.808 3.431 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(C)(C)c1cccnc1 ZINC000778283510 623635736 /nfs/dbraw/zinc/63/57/36/623635736.db2.gz IAISDDMLHZZLDO-UHFFFAOYSA-N 0 0 311.429 3.050 20 10 DGCDRN Cc1cc(C(=O)N2CC[C@H](C)[C@H](F)C2)c(C)n1-c1ccccn1 ZINC000778466866 623659059 /nfs/dbraw/zinc/65/90/59/623659059.db2.gz IJALCKKRCBSBFE-BLLLJJGKSA-N 0 0 315.392 3.309 20 10 DGCDRN COCC1(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000778556228 623669151 /nfs/dbraw/zinc/66/91/51/623669151.db2.gz HQBZGPCMYAABRS-UHFFFAOYSA-N 0 0 316.445 3.062 20 10 DGCDRN [O-]c1c(CN2CCCC[C@@H]([NH+]3CCCC3)C2)ccc(F)c1F ZINC000876662463 623673028 /nfs/dbraw/zinc/67/30/28/623673028.db2.gz LNWHQUMGSREOCL-CQSZACIVSA-N 0 0 310.388 3.121 20 10 DGCDRN CC(C)Cn1ncnc1COc1ccc(N2CCCC2)cc1 ZINC000778598177 623675067 /nfs/dbraw/zinc/67/50/67/623675067.db2.gz RDDCYNQPOBHLQT-UHFFFAOYSA-N 0 0 300.406 3.113 20 10 DGCDRN Cc1ccc(CN2CCO[C@@H](c3ccccc3F)C2)c(O)c1 ZINC000876682784 623681065 /nfs/dbraw/zinc/68/10/65/623681065.db2.gz OGYGLXSVHMBTCB-GOSISDBHSA-N 0 0 301.361 3.413 20 10 DGCDRN Cc1ccc(CN2CCO[C@@H](c3cccc(F)c3)C2)c(O)c1 ZINC000876681874 623681291 /nfs/dbraw/zinc/68/12/91/623681291.db2.gz AVHKOHIZTVDWGX-GOSISDBHSA-N 0 0 301.361 3.413 20 10 DGCDRN CNc1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000876728199 623691112 /nfs/dbraw/zinc/69/11/12/623691112.db2.gz ICYDHVZPIYBJRP-UHFFFAOYSA-N 0 0 309.413 3.259 20 10 DGCDRN COCc1ccsc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000778755381 623691895 /nfs/dbraw/zinc/69/18/95/623691895.db2.gz AFXQNOCYCOCOBE-UHFFFAOYSA-N 0 0 318.442 3.199 20 10 DGCDRN Cc1ccc(CCC(=O)NCc2ccc(O)c(O)c2)cc1Cl ZINC000778919847 623711066 /nfs/dbraw/zinc/71/10/66/623711066.db2.gz NXAXSQCGLMCRHH-UHFFFAOYSA-N 0 0 319.788 3.309 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1cc2c(cccc2F)s1 ZINC000778919205 623711321 /nfs/dbraw/zinc/71/13/21/623711321.db2.gz WNANTYPIAVUHCL-UHFFFAOYSA-N 0 0 317.341 3.382 20 10 DGCDRN C/C(=C/C(=O)NCc1ccc(O)c(O)c1)c1cccc(Cl)c1 ZINC000778918485 623711336 /nfs/dbraw/zinc/71/13/36/623711336.db2.gz QTJCDQUQGYAZBH-XFFZJAGNSA-N 0 0 317.772 3.471 20 10 DGCDRN OC1CCN(c2ccc(CN3CCc4ccccc43)cc2)CC1 ZINC000876879200 623733953 /nfs/dbraw/zinc/73/39/53/623733953.db2.gz OTYYKTCCPOQJLN-UHFFFAOYSA-N 0 0 308.425 3.210 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccc2c(c1)OCCO2 ZINC000876907605 623741989 /nfs/dbraw/zinc/74/19/89/623741989.db2.gz GZDPKLFHRHOROB-JTQLQIEISA-N 0 0 321.323 3.292 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@H]2CCO)cc1 ZINC000779283727 623754607 /nfs/dbraw/zinc/75/46/07/623754607.db2.gz JLSVQHODOIQPFB-KRWDZBQOSA-N 0 0 312.413 3.081 20 10 DGCDRN CC[C@@]1(O)CCN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000779339930 623760900 /nfs/dbraw/zinc/76/09/00/623760900.db2.gz PVXYBRIGZGQBGF-QGZVFWFLSA-N 0 0 318.442 3.143 20 10 DGCDRN COc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877031797 623770201 /nfs/dbraw/zinc/77/02/01/623770201.db2.gz BKFWUOBJZVJLAU-CYBMUJFWSA-N 0 0 321.323 3.292 20 10 DGCDRN CCN1C(=O)/C(=C/c2ccnn2-c2ccccc2)SC1=S ZINC000790597529 625674985 /nfs/dbraw/zinc/67/49/85/625674985.db2.gz DKLHVNQQUJWHDO-RAXLEYEMSA-N 0 0 315.423 3.093 20 10 DGCDRN C[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000779499607 623775155 /nfs/dbraw/zinc/77/51/55/623775155.db2.gz NNKDXTOKZJBZIN-KNVNGTOESA-N 0 0 315.344 3.170 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(O)c(C)c2)cc1 ZINC000779497948 623775198 /nfs/dbraw/zinc/77/51/98/623775198.db2.gz DROKBVKHWMBPNL-UHFFFAOYSA-N 0 0 312.413 3.477 20 10 DGCDRN C[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000779499606 623775221 /nfs/dbraw/zinc/77/52/21/623775221.db2.gz NNKDXTOKZJBZIN-KBNZMGLGSA-N 0 0 315.344 3.170 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCc2ccc(F)cc21 ZINC000779513118 623775820 /nfs/dbraw/zinc/77/58/20/623775820.db2.gz DTJGPTLSYMBETO-GBVWOXPPSA-N 0 0 313.328 3.054 20 10 DGCDRN C[C@H](CCNC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC000779510760 623775979 /nfs/dbraw/zinc/77/59/79/623775979.db2.gz QSWUVWLZBCFVBR-QQBNSCQMSA-N 0 0 311.381 3.421 20 10 DGCDRN O=C(C=Cc1ccc(O)c(O)c1)Nc1cc(C2CCCC2)[nH]n1 ZINC000779519087 623776833 /nfs/dbraw/zinc/77/68/33/623776833.db2.gz NPZULTXZQQUNAW-VURMDHGXSA-N 0 0 313.357 3.130 20 10 DGCDRN C[C@@]1(c2ccccc2)CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000779527436 623777425 /nfs/dbraw/zinc/77/74/25/623777425.db2.gz LFWUQIQBORVYMI-CIGMURNLSA-N 0 0 323.392 3.301 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc2ccncc21 ZINC000779529228 623777617 /nfs/dbraw/zinc/77/76/17/623777617.db2.gz SDAWJZMGWHIJJN-FNORWQNLSA-N 0 0 306.321 3.298 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc2ccncc21 ZINC000779529227 623777642 /nfs/dbraw/zinc/77/76/42/623777642.db2.gz SDAWJZMGWHIJJN-ALCCZGGFSA-N 0 0 306.321 3.298 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCCC12CCCCC2 ZINC000779544006 623777913 /nfs/dbraw/zinc/77/79/13/623777913.db2.gz ZMKVCIHRHJLREJ-VURMDHGXSA-N 0 0 301.386 3.436 20 10 DGCDRN CC[C@@H](C)n1nc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC000779543819 623777962 /nfs/dbraw/zinc/77/79/62/623777962.db2.gz FVEQORYVUVMLKF-LXSSAFMLSA-N 0 0 315.373 3.226 20 10 DGCDRN Cn1cc(NC(=O)NCc2ccccc2O)c(-c2ccccc2)n1 ZINC000779626022 623782698 /nfs/dbraw/zinc/78/26/98/623782698.db2.gz FEDGQHKGLDOHAX-UHFFFAOYSA-N 0 0 322.368 3.114 20 10 DGCDRN COc1ccc2c(c1)[C@@H](C(=O)N(C)c1ccc(N)cc1)CCC2 ZINC000877074397 623785273 /nfs/dbraw/zinc/78/52/73/623785273.db2.gz IXVWIKLHTZTJQO-KRWDZBQOSA-N 0 0 310.397 3.360 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C=C/c1cncc(O)c1)CCCC2 ZINC000779671283 623786185 /nfs/dbraw/zinc/78/61/85/623786185.db2.gz XUVJUWQRMWTXTJ-VMPITWQZSA-N 0 0 324.380 3.179 20 10 DGCDRN [O-]c1c(C[NH2+]Cc2cccc3c2OCCCO3)ccc(F)c1F ZINC000877097796 623791884 /nfs/dbraw/zinc/79/18/84/623791884.db2.gz JWGIHOIOBVOESA-UHFFFAOYSA-N 0 0 321.323 3.122 20 10 DGCDRN [O-]c1c(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)ccc(F)c1F ZINC000877117826 623795085 /nfs/dbraw/zinc/79/50/85/623795085.db2.gz YIENXIBCIORMEB-XZJROXQQSA-N 0 0 309.356 3.108 20 10 DGCDRN CN(C)[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])c1ccccc1 ZINC000877142779 623806778 /nfs/dbraw/zinc/80/67/78/623806778.db2.gz WBXFNMBQZDYAGH-OAHLLOKOSA-N 0 0 306.356 3.063 20 10 DGCDRN COCC[C@@H](Cc1ccco1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877305529 623847063 /nfs/dbraw/zinc/84/70/63/623847063.db2.gz TXFDBDBTLNDTEH-LBPRGKRZSA-N 0 0 311.328 3.001 20 10 DGCDRN COc1ccc(Cn2cc(NCc3ccccc3O)cn2)cc1 ZINC000790652211 625683592 /nfs/dbraw/zinc/68/35/92/625683592.db2.gz IETFODKVUSBWOS-UHFFFAOYSA-N 0 0 309.369 3.258 20 10 DGCDRN CSc1ccccc1S(=O)(=O)Nc1ccc(O)cc1F ZINC000780401114 623923572 /nfs/dbraw/zinc/92/35/72/623923572.db2.gz BQXLVPMMJUITFG-UHFFFAOYSA-N 0 0 313.375 3.054 20 10 DGCDRN CCCn1ccnc1CCC[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877528872 623926336 /nfs/dbraw/zinc/92/63/36/623926336.db2.gz NAXPKNOKFMUHJK-UHFFFAOYSA-N 0 0 323.387 3.342 20 10 DGCDRN C[C@H]([NH2+]C[C@](C)(O)C1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000790703839 625688049 /nfs/dbraw/zinc/68/80/49/625688049.db2.gz UQIUGPIBIKKEMV-SJCJKPOMSA-N 0 0 322.405 3.282 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1cnc(N2CCCC2)nc1 ZINC000780766493 623981383 /nfs/dbraw/zinc/98/13/83/623981383.db2.gz IBOHKQWTXVACLN-UHFFFAOYSA-N 0 0 324.428 3.038 20 10 DGCDRN CN(Cc1cccc(-n2cccn2)c1)c1ccc2c(c1)OCO2 ZINC000780778463 623982237 /nfs/dbraw/zinc/98/22/37/623982237.db2.gz KZJWCBAFHXASBA-UHFFFAOYSA-N 0 0 307.353 3.237 20 10 DGCDRN Oc1c(Cl)cccc1CN1CCN2CCOc3cccc1c32 ZINC000780781060 623983369 /nfs/dbraw/zinc/98/33/69/623983369.db2.gz GDPVMGVQQDZCLX-UHFFFAOYSA-N 0 0 316.788 3.265 20 10 DGCDRN COc1c([O-])c(C[NH2+]Cc2csc(C)c2C)ccc1[N+](=O)[O-] ZINC000877675081 623987961 /nfs/dbraw/zinc/98/79/61/623987961.db2.gz VLOGQMVANIGEIR-UHFFFAOYSA-N 0 0 322.386 3.277 20 10 DGCDRN CCC1([NH+](C)C)CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000877690283 623994110 /nfs/dbraw/zinc/99/41/10/623994110.db2.gz PLVGXPZVRKVUNN-UHFFFAOYSA-N 0 0 314.832 3.491 20 10 DGCDRN Cc1ccc(C(=O)N2CCc3cccc(F)c3[C@H]2C)c(O)c1O ZINC000780947014 624002001 /nfs/dbraw/zinc/00/20/01/624002001.db2.gz HUVRTTZIAQQDEE-LLVKDONJSA-N 0 0 315.344 3.305 20 10 DGCDRN Cc1ccc(CC[C@H](C)NC(=O)c2ccc(C)c(O)c2O)o1 ZINC000780954020 624003667 /nfs/dbraw/zinc/00/36/67/624003667.db2.gz LKOJEQRQHBMGLT-NSHDSACASA-N 0 0 303.358 3.059 20 10 DGCDRN Cc1ccc(C(=O)N[C@H](C2CCCC2)C(F)(F)F)c(O)c1O ZINC000780966297 624005957 /nfs/dbraw/zinc/00/59/57/624005957.db2.gz YXTYNBMTWVWJOE-CYBMUJFWSA-N 0 0 317.307 3.257 20 10 DGCDRN Cc1ccc(C(=O)Nc2cc(Cl)cc(C)c2O)c(O)c1O ZINC000780992580 624008330 /nfs/dbraw/zinc/00/83/30/624008330.db2.gz CDJZHEKSIXKVRX-UHFFFAOYSA-N 0 0 307.733 3.326 20 10 DGCDRN Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000781153597 624030464 /nfs/dbraw/zinc/03/04/64/624030464.db2.gz XUWOWYWHGXJQPI-LBPRGKRZSA-N 0 0 308.328 3.144 20 10 DGCDRN CCOc1nccnc1N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000781390610 624065009 /nfs/dbraw/zinc/06/50/09/624065009.db2.gz WBRJUAWMPQEBNM-UHFFFAOYSA-N 0 0 316.792 3.217 20 10 DGCDRN Cc1cc(N(C)C)ccc1[C@@H]1Nc2cc(F)c(F)cc2C(=O)N1 ZINC000877859730 624072657 /nfs/dbraw/zinc/07/26/57/624072657.db2.gz IFMSWBSHDLVAAY-MRXNPFEDSA-N 0 0 317.339 3.193 20 10 DGCDRN Cc1ccc2c(c1)N[C@@H](c1cc(F)c(N(C)C)cc1F)NC2=O ZINC000877865923 624074931 /nfs/dbraw/zinc/07/49/31/624074931.db2.gz LZNCEWYMVLDVOF-MRXNPFEDSA-N 0 0 317.339 3.193 20 10 DGCDRN C[C@@H](c1ccccn1)N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000126768655 624080820 /nfs/dbraw/zinc/08/08/20/624080820.db2.gz RJEITSYANCAMQY-AWEZNQCLSA-N 0 0 312.417 3.050 20 10 DGCDRN COc1ccc2c(c1)CCCN2C[C@H]1CC2(CO1)CCOCC2 ZINC000877944149 624104408 /nfs/dbraw/zinc/10/44/08/624104408.db2.gz LKBDDHQXFSQOBZ-QGZVFWFLSA-N 0 0 317.429 3.034 20 10 DGCDRN CO[C@@H](C[NH2+]Cc1cc(C)cc(Br)c1[O-])C(C)C ZINC000781632119 624110312 /nfs/dbraw/zinc/11/03/12/624110312.db2.gz HCUPSBXBHBRAGW-ZDUSSCGKSA-N 0 0 316.239 3.224 20 10 DGCDRN CC(C)Cc1nnc(NC(=O)N[C@H](C)c2ccccc2O)s1 ZINC000877964575 624114295 /nfs/dbraw/zinc/11/42/95/624114295.db2.gz IGEIRXZNXSEAGG-SNVBAGLBSA-N 0 0 320.418 3.325 20 10 DGCDRN Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000781663205 624119715 /nfs/dbraw/zinc/11/97/15/624119715.db2.gz ZBOLZLQMBRXDRB-UHFFFAOYSA-N 0 0 318.352 3.424 20 10 DGCDRN COc1ccc(N(C)CC[C@@H](O)c2ccccc2)cc1OC ZINC000877995843 624130313 /nfs/dbraw/zinc/13/03/13/624130313.db2.gz KYIRIZVXTIGLJT-MRXNPFEDSA-N 0 0 301.386 3.264 20 10 DGCDRN Cc1cc(Br)c(O)c(CN2CCO[C@@H](C)[C@@H]2C)c1 ZINC000781908687 624170343 /nfs/dbraw/zinc/17/03/43/624170343.db2.gz KXKKEUVQFXMZSF-QWRGUYRKSA-N 0 0 314.223 3.072 20 10 DGCDRN CCOc1ccc(N(C)CCCS(=O)(=O)C(C)(C)C)cc1 ZINC000878126217 624179851 /nfs/dbraw/zinc/17/98/51/624179851.db2.gz UZZIBILTXVNMCF-UHFFFAOYSA-N 0 0 313.463 3.125 20 10 DGCDRN COc1cc(N(C)C[C@@H]2C[C@@H]3CCC[C@H]3O2)cc(OC)c1OC ZINC000878128538 624181138 /nfs/dbraw/zinc/18/11/38/624181138.db2.gz FRCGOPAZUPXFMY-AEGPPILISA-N 0 0 321.417 3.106 20 10 DGCDRN CC[C@](C)(CO)NC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000782024875 624190251 /nfs/dbraw/zinc/19/02/51/624190251.db2.gz GCSQONMIKNVYNS-LJQANCHMSA-N 0 0 314.429 3.293 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCC(C)(C)O2)cc1 ZINC000782073497 624199238 /nfs/dbraw/zinc/19/92/38/624199238.db2.gz ZKMWDDZWAIHJQH-KRWDZBQOSA-N 0 0 318.461 3.449 20 10 DGCDRN COc1ccc(N(C)C[C@@H]2CCC3(CCOCC3)CO2)cc1F ZINC000878186505 624206069 /nfs/dbraw/zinc/20/60/69/624206069.db2.gz KERVCXLCDBQKMO-HNNXBMFYSA-N 0 0 323.408 3.246 20 10 DGCDRN COc1ccc(O)c([C@H](C)NCc2nc3c(o2)CCCC3)c1 ZINC000878359906 624255536 /nfs/dbraw/zinc/25/55/36/624255536.db2.gz DLABLNSVFBELFU-NSHDSACASA-N 0 0 302.374 3.118 20 10 DGCDRN CCN(Cc1nnc(C2CCC2)n1C)c1ccc(OC)cc1 ZINC000782947854 624293363 /nfs/dbraw/zinc/29/33/63/624293363.db2.gz MRTIWRQKJOIBAN-UHFFFAOYSA-N 0 0 300.406 3.118 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCCS2)cc1 ZINC000783036537 624303035 /nfs/dbraw/zinc/30/30/35/624303035.db2.gz DDTYCHWROOIVIE-INIZCTEOSA-N 0 0 306.475 3.435 20 10 DGCDRN O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(O)c1O ZINC000790874344 625711312 /nfs/dbraw/zinc/71/13/12/625711312.db2.gz COXKDKFASWNREZ-ZJUUUORDSA-N 0 0 317.307 3.196 20 10 DGCDRN CN(C[C@@H]1CCc2ncnn21)c1ccc(-c2nccs2)cc1 ZINC000878706863 624345478 /nfs/dbraw/zinc/34/54/78/624345478.db2.gz MUTIQUSGUOLAJL-AWEZNQCLSA-N 0 0 311.414 3.025 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCS1 ZINC000127293584 624346608 /nfs/dbraw/zinc/34/66/08/624346608.db2.gz BLHRUKFTDCKYCE-AWEZNQCLSA-N 0 0 308.447 3.209 20 10 DGCDRN NC(=O)c1ccc(NCc2c(O)cccc2Cl)cc1Cl ZINC000127293114 624346874 /nfs/dbraw/zinc/34/68/74/624346874.db2.gz KZVFSNAOECTJAQ-UHFFFAOYSA-N 0 0 311.168 3.410 20 10 DGCDRN Cc1ccc(C(=O)NCCc2ccc(O)c(O)c2)c(Cl)c1C ZINC000783590694 624371740 /nfs/dbraw/zinc/37/17/40/624371740.db2.gz XSSQYYKKVXHKDW-UHFFFAOYSA-N 0 0 319.788 3.341 20 10 DGCDRN COc1cccc(CNC(=O)CCCc2ccsc2)c1O ZINC000783589299 624371762 /nfs/dbraw/zinc/37/17/62/624371762.db2.gz PEIBRFIZIGEPKD-UHFFFAOYSA-N 0 0 305.399 3.101 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)C[C@@H](C)O)c(C)n1-c1ccccc1C ZINC000783628248 624376730 /nfs/dbraw/zinc/37/67/30/624376730.db2.gz APEKNOVFTJWZKR-UKRRQHHQSA-N 0 0 314.429 3.292 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2c2cn[nH]c2)c1O ZINC000878877996 624378036 /nfs/dbraw/zinc/37/80/36/624378036.db2.gz NFJLAOOVKARHGI-OAHLLOKOSA-N 0 0 319.792 3.308 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)N1CCOc2ccc(Cl)cc21 ZINC000784048934 624428287 /nfs/dbraw/zinc/42/82/87/624428287.db2.gz HLYQVSXUMQVMJH-GORDUTHDSA-N 0 0 314.772 3.482 20 10 DGCDRN Cc1ccncc1/C=C\C(=O)N1CCN(C)c2cc(F)ccc21 ZINC000784057183 624429941 /nfs/dbraw/zinc/42/99/41/624429941.db2.gz ZCOWXXUEEMSZCL-UTCJRWHESA-N 0 0 311.360 3.025 20 10 DGCDRN CCc1nnc(CN(Cc2ccc(N(C)C)cc2)C2CC2)s1 ZINC000784135017 624442416 /nfs/dbraw/zinc/44/24/16/624442416.db2.gz RODGHANTPINQOV-UHFFFAOYSA-N 0 0 316.474 3.331 20 10 DGCDRN CCCCCCC(=O)COC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000784236393 624459709 /nfs/dbraw/zinc/45/97/09/624459709.db2.gz FKRBOHOXTJCAEV-NTMALXAHSA-N 0 0 306.358 3.194 20 10 DGCDRN CCc1nnc(CN2CCCCc3cc(OC)ccc32)s1 ZINC000784244693 624464018 /nfs/dbraw/zinc/46/40/18/624464018.db2.gz QJAMWWNVLCRRCO-UHFFFAOYSA-N 0 0 303.431 3.452 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OC[C@H]1CCC2(CCCC2)O1 ZINC000784286755 624482698 /nfs/dbraw/zinc/48/26/98/624482698.db2.gz NCOIGHFRWZYGPO-KXQLTZBTSA-N 0 0 318.369 3.146 20 10 DGCDRN COCCc1ccccc1NC(=O)N[C@@H](C)c1ccccc1O ZINC000879331502 624509237 /nfs/dbraw/zinc/50/92/37/624509237.db2.gz IEAQQDXWGMZPND-ZDUSSCGKSA-N 0 0 314.385 3.464 20 10 DGCDRN COC(=O)COc1ccc(N(C)CCCc2ccsc2)cc1 ZINC000784560776 624547593 /nfs/dbraw/zinc/54/75/93/624547593.db2.gz NKOOKAYIPMACAL-UHFFFAOYSA-N 0 0 319.426 3.369 20 10 DGCDRN CC(C)Cc1ncc(NC(=O)N[C@@H](C)c2ccccc2O)cn1 ZINC000879436887 624547712 /nfs/dbraw/zinc/54/77/12/624547712.db2.gz BASBOOZOBNNSRL-LBPRGKRZSA-N 0 0 314.389 3.263 20 10 DGCDRN CC1(C(=O)OCC(=O)c2ccc(O)c(O)c2)CCCCCC1 ZINC000784630101 624562674 /nfs/dbraw/zinc/56/26/74/624562674.db2.gz PAWJUKSAUNXCNQ-UHFFFAOYSA-N 0 0 306.358 3.184 20 10 DGCDRN CC1(C)CC[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)O1 ZINC000784936498 624599885 /nfs/dbraw/zinc/59/98/85/624599885.db2.gz GCVZAWWGWHIAJR-QGZVFWFLSA-N 0 0 316.445 3.251 20 10 DGCDRN C[C@H](NCc1nnc(C(F)(F)F)s1)c1ccccc1O ZINC000879650140 624623096 /nfs/dbraw/zinc/62/30/96/624623096.db2.gz LGPGVJIGFADXSJ-ZETCQYMHSA-N 0 0 303.309 3.113 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cccnc1C1CC1 ZINC000785234059 624642653 /nfs/dbraw/zinc/64/26/53/624642653.db2.gz QLMVAFBDDCQDDJ-UHFFFAOYSA-N 0 0 321.424 3.489 20 10 DGCDRN CO[C@@H](C)C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000785571870 624682824 /nfs/dbraw/zinc/68/28/24/624682824.db2.gz BWQUZEAMCFGEJS-YUMQZZPRSA-N 0 0 322.630 3.494 20 10 DGCDRN CC[C@@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000128031352 624691857 /nfs/dbraw/zinc/69/18/57/624691857.db2.gz FSVJNOPSABMAFA-MRXNPFEDSA-N 0 0 313.445 3.394 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OCCC1(O)CC1 ZINC000785665546 624709217 /nfs/dbraw/zinc/70/92/17/624709217.db2.gz AYPXECIYUFPHNB-UHFFFAOYSA-N 0 0 305.399 3.227 20 10 DGCDRN CSC(C)(C)C[NH2+]Cc1cccc(Br)c1[O-] ZINC000128203599 624796156 /nfs/dbraw/zinc/79/61/56/624796156.db2.gz ZSTSRRMJLBXGFW-UHFFFAOYSA-N 0 0 304.253 3.386 20 10 DGCDRN C[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC[C@@H]1C ZINC000128345830 624908870 /nfs/dbraw/zinc/90/88/70/624908870.db2.gz YGHCBCRHEIGYCY-HOTGVXAUSA-N 0 0 313.445 3.250 20 10 DGCDRN COC(=O)CCc1cccc(NCc2c(O)cccc2OC)c1 ZINC000786580061 624925153 /nfs/dbraw/zinc/92/51/53/624925153.db2.gz XDNZCUOTHIDVFT-UHFFFAOYSA-N 0 0 315.369 3.119 20 10 DGCDRN Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000786584850 624926521 /nfs/dbraw/zinc/92/65/21/624926521.db2.gz UXAGJHWVQLOEAK-SWLSCSKDSA-N 0 0 321.367 3.233 20 10 DGCDRN Cc1sccc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000880400044 624949907 /nfs/dbraw/zinc/94/99/07/624949907.db2.gz BXGRDAPVVLEFFH-VIFPVBQESA-N 0 0 306.387 3.220 20 10 DGCDRN CCc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000128512019 624983131 /nfs/dbraw/zinc/98/31/31/624983131.db2.gz HKFGXQLRGDWZAZ-UHFFFAOYSA-N 0 0 300.358 3.024 20 10 DGCDRN CO[C@H](C)[C@H](C)NC(=O)c1sccc1-n1c(C)ccc1C ZINC000787412653 625007390 /nfs/dbraw/zinc/00/73/90/625007390.db2.gz JVYLYUMSTRRNPU-QWHCGFSZSA-N 0 0 306.431 3.309 20 10 DGCDRN CCOC(=O)[C@H](CC)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000787441749 625010682 /nfs/dbraw/zinc/01/06/82/625010682.db2.gz ZVRPTESEBLIBII-KRWDZBQOSA-N 0 0 304.434 3.059 20 10 DGCDRN C[C@@H](CC(=O)NCc1ccc(O)c(O)c1)c1c[nH]c2ccccc21 ZINC000787448247 625011898 /nfs/dbraw/zinc/01/18/98/625011898.db2.gz COGABDJEKJEVDA-LBPRGKRZSA-N 0 0 324.380 3.389 20 10 DGCDRN CSC1(C(=O)NCc2c(O)ccc3c2CCCC3)CCC1 ZINC000787448225 625012064 /nfs/dbraw/zinc/01/20/64/625012064.db2.gz CEHYMJRCQRARTM-UHFFFAOYSA-N 0 0 305.443 3.173 20 10 DGCDRN Cc1cc(C(=O)N2CCC(=O)[C@@H](C)C2)c(C)n1-c1ccccc1C ZINC000787908733 625073729 /nfs/dbraw/zinc/07/37/29/625073729.db2.gz PNUQZQOIVGXQIC-AWEZNQCLSA-N 0 0 324.424 3.454 20 10 DGCDRN COc1cc(-c2nc3ccc(Cl)cc3n2C)cc(O)c1O ZINC000788333780 625128177 /nfs/dbraw/zinc/12/81/77/625128177.db2.gz QENSWGOGTUFHRJ-UHFFFAOYSA-N 0 0 304.733 3.314 20 10 DGCDRN CSCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000134907993 626891304 /nfs/dbraw/zinc/89/13/04/626891304.db2.gz GRYDWOVCUFXEQV-ZETCQYMHSA-N 0 0 308.216 3.307 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Nc1ncsc1C1CC1 ZINC000881040214 625217987 /nfs/dbraw/zinc/21/79/87/625217987.db2.gz GFQLFMMHXNCBFN-UHFFFAOYSA-N 0 0 303.387 3.390 20 10 DGCDRN C[C@@H]([NH2+]CCC[C@H](C)O)c1cc(Br)c(F)cc1[O-] ZINC000788603774 625225839 /nfs/dbraw/zinc/22/58/39/625225839.db2.gz DRZCYNAUPRZOPQ-DTWKUNHWSA-N 0 0 320.202 3.105 20 10 DGCDRN C[C@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000788610413 625226699 /nfs/dbraw/zinc/22/66/99/625226699.db2.gz LOLZXCZTHDKOOO-NSHDSACASA-N 0 0 311.372 3.264 20 10 DGCDRN Cc1cc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])n(C)n1 ZINC000788815517 625274036 /nfs/dbraw/zinc/27/40/36/625274036.db2.gz CJIIDFNBRGUZII-JTQLQIEISA-N 0 0 313.323 3.304 20 10 DGCDRN C[C@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)N1CCCCC1 ZINC000790954784 625722086 /nfs/dbraw/zinc/72/20/86/625722086.db2.gz YJHMZUCCBSUWAR-LLVKDONJSA-N 0 0 300.805 3.149 20 10 DGCDRN CCn1nc(C)c(C[NH2+]Cc2c([O-])ccc(Cl)c2F)c1C ZINC000790955517 625722309 /nfs/dbraw/zinc/72/23/09/625722309.db2.gz RRJNCIJLDVNHQH-UHFFFAOYSA-N 0 0 311.788 3.308 20 10 DGCDRN COC1CCC(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000790974433 625726961 /nfs/dbraw/zinc/72/69/61/625726961.db2.gz VOHITNUINYIMPZ-UHFFFAOYSA-N 0 0 301.789 3.480 20 10 DGCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)C(C)C ZINC000791250540 625765494 /nfs/dbraw/zinc/76/54/94/625765494.db2.gz RUVFNBLHMVVYGE-UHFFFAOYSA-N 0 0 320.433 3.031 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2C[C@@H](C3CC3)O[C@@H](C)C2)c1O ZINC000791560427 625824782 /nfs/dbraw/zinc/82/47/82/625824782.db2.gz VYBPPLHZWBLOOR-QFYYESIMSA-N 0 0 323.820 3.248 20 10 DGCDRN CC(C)Oc1ccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])cn1 ZINC000882895843 625849124 /nfs/dbraw/zinc/84/91/24/625849124.db2.gz VUUZXNMGBYXOND-UHFFFAOYSA-N 0 0 308.328 3.142 20 10 DGCDRN COCc1cc(C[NH2+]Cc2cc(F)cc(F)c2[O-])ccc1F ZINC000882989076 625886687 /nfs/dbraw/zinc/88/66/87/625886687.db2.gz YTDKXXFUXVMFMM-UHFFFAOYSA-N 0 0 311.303 3.246 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCc1nc2c(s1)CCCC2 ZINC000882997110 625890866 /nfs/dbraw/zinc/89/08/66/625890866.db2.gz XOKFLYOLRSVQQZ-UHFFFAOYSA-N 0 0 324.396 3.338 20 10 DGCDRN CCOC(=O)C1(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CCC1 ZINC000792173703 625919812 /nfs/dbraw/zinc/91/98/12/625919812.db2.gz IWEUCIZXEMGBDT-UHFFFAOYSA-N 0 0 315.772 3.008 20 10 DGCDRN COC(=O)[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000792204467 625925755 /nfs/dbraw/zinc/92/57/55/625925755.db2.gz ZRSQCUWWVFOMBE-KWQFWETISA-N 0 0 318.200 3.130 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000883192497 625964075 /nfs/dbraw/zinc/96/40/75/625964075.db2.gz AKSPFCYCHBBNAL-WBVHZDCISA-N 0 0 305.324 3.290 20 10 DGCDRN COc1ccc2c(c1)CCCN2CC(=O)NCc1ccccc1C ZINC000796325518 626038775 /nfs/dbraw/zinc/03/87/75/626038775.db2.gz JZYBMWLFNKIRGT-UHFFFAOYSA-N 0 0 324.424 3.073 20 10 DGCDRN COc1ccc(N(CCC(C)C)Cc2ccn(C)c(=O)c2)cc1 ZINC000796503767 626056610 /nfs/dbraw/zinc/05/66/10/626056610.db2.gz JOJZADMMNMSGHN-UHFFFAOYSA-N 0 0 314.429 3.447 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CCCOC(C)(C)C ZINC000796502492 626056685 /nfs/dbraw/zinc/05/66/85/626056685.db2.gz TZNXNTUHXGGUMV-UHFFFAOYSA-N 0 0 306.450 3.273 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1ccc(F)cc1[O-] ZINC000796665699 626071194 /nfs/dbraw/zinc/07/11/94/626071194.db2.gz KONHLIJPNJECLI-HIFRSBDPSA-N 0 0 317.360 3.412 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000796704158 626074986 /nfs/dbraw/zinc/07/49/86/626074986.db2.gz XKFXLMYXBSCMFZ-YJBOKZPZSA-N 0 0 317.404 3.423 20 10 DGCDRN CC[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1[O-] ZINC000796735946 626077904 /nfs/dbraw/zinc/07/79/04/626077904.db2.gz BCHONCGTRYXNIP-AAEUAGOBSA-N 0 0 320.330 3.209 20 10 DGCDRN CC[C@@H]([NH2+][C@H](CO)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000796780343 626081489 /nfs/dbraw/zinc/08/14/89/626081489.db2.gz RAUHJRUXKGZQTN-DOTOQJQBSA-N 0 0 303.377 3.176 20 10 DGCDRN CC[C@@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccc(F)cc1[O-] ZINC000796837321 626088055 /nfs/dbraw/zinc/08/80/55/626088055.db2.gz WOFGEKQBNWATDA-GDBMZVCRSA-N 0 0 323.408 3.300 20 10 DGCDRN CC1=C[C@@H](C)CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000797518581 626150709 /nfs/dbraw/zinc/15/07/09/626150709.db2.gz CJMRGILIJRFJLL-UKRRQHHQSA-N 0 0 301.434 3.421 20 10 DGCDRN COc1ccc2c(c1)CCCN2CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000797726047 626166203 /nfs/dbraw/zinc/16/62/03/626166203.db2.gz YXBXWVYDEBVFBS-GASCZTMLSA-N 0 0 316.445 3.237 20 10 DGCDRN COc1ccc(CNC(=O)[C@@H]2[C@H](C)[C@@H]2c2ccccc2)c(O)c1 ZINC000797762287 626167502 /nfs/dbraw/zinc/16/75/02/626167502.db2.gz WGWAYTDDPLYIPR-NXOUGTEYSA-N 0 0 311.381 3.067 20 10 DGCDRN O=C(NCCF)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000798062114 626191682 /nfs/dbraw/zinc/19/16/82/626191682.db2.gz UTKPZWBDNCQSAC-UHFFFAOYSA-N 0 0 314.320 3.126 20 10 DGCDRN CC[C@@H]1C[C@H]1NC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000798106123 626194488 /nfs/dbraw/zinc/19/44/88/626194488.db2.gz SSXHXTOBUVGVMK-NVXWUHKLSA-N 0 0 303.450 3.473 20 10 DGCDRN CC[C@@H]1C[C@H]1NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000798120617 626195412 /nfs/dbraw/zinc/19/54/12/626195412.db2.gz OHGUOCIXHKJRRE-CZUORRHYSA-N 0 0 314.385 3.496 20 10 DGCDRN CCC(=O)OCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C ZINC000798121663 626195467 /nfs/dbraw/zinc/19/54/67/626195467.db2.gz DFMJVAHBNWASFS-UHFFFAOYSA-N 0 0 303.333 3.369 20 10 DGCDRN Cc1ccc(O)c(CNc2ncc(-c3cncc(F)c3)cn2)c1 ZINC000798188953 626201140 /nfs/dbraw/zinc/20/11/40/626201140.db2.gz NHUSZDVKKMSYDU-UHFFFAOYSA-N 0 0 310.332 3.304 20 10 DGCDRN C[C@H]1CCC[C@@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000798420242 626217418 /nfs/dbraw/zinc/21/74/18/626217418.db2.gz MTWBNPOLJQOLCL-DOTOQJQBSA-N 0 0 313.445 3.298 20 10 DGCDRN C[C@@H]1CCC[C@@H]1CNC(=O)NCCCSc1nccs1 ZINC000798437525 626218048 /nfs/dbraw/zinc/21/80/48/626218048.db2.gz JPLPTNBBEDUNRK-VXGBXAGGSA-N 0 0 313.492 3.361 20 10 DGCDRN Cc1cc(C(=O)O[C@@H](C)C(=O)C2CC2)c(C)n1-c1ccccn1 ZINC000798591799 626229857 /nfs/dbraw/zinc/22/98/57/626229857.db2.gz YFYRTKHSOQWDRB-ZDUSSCGKSA-N 0 0 312.369 3.014 20 10 DGCDRN CN(CCC[NH+]1CCCC1)Cc1c([O-])ccc(Cl)c1F ZINC000798958247 626262433 /nfs/dbraw/zinc/26/24/33/626262433.db2.gz RAHJAVKCTNRVDP-UHFFFAOYSA-N 0 0 300.805 3.102 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2c(F)cccc2SC)c1 ZINC000798980872 626264824 /nfs/dbraw/zinc/26/48/24/626264824.db2.gz CHXDMZMTOLXUJF-UHFFFAOYSA-N 0 0 321.373 3.192 20 10 DGCDRN CCOc1ccc(N(CC)Cc2cnc(OC)nc2C)cc1 ZINC000799129285 626275491 /nfs/dbraw/zinc/27/54/91/626275491.db2.gz OUALVXZIZDFMOZ-UHFFFAOYSA-N 0 0 301.390 3.219 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1O[C@H](C)C[C@@H]1C ZINC000799881386 626333131 /nfs/dbraw/zinc/33/31/31/626333131.db2.gz LNWAJYMVMQWBOV-DAYGRLMNSA-N 0 0 318.461 3.303 20 10 DGCDRN Cc1cc(O)ccc1NS(=O)(=O)/C=C\c1ccccc1F ZINC000799920405 626336153 /nfs/dbraw/zinc/33/61/53/626336153.db2.gz BVUBXBZGMSVLGX-HJWRWDBZSA-N 0 0 307.346 3.252 20 10 DGCDRN Cc1cc(Br)c(O)c(CNC2(C(F)F)CC2)c1 ZINC000800310733 626350440 /nfs/dbraw/zinc/35/04/40/626350440.db2.gz JHEXPSWVYFXENW-UHFFFAOYSA-N 0 0 306.150 3.350 20 10 DGCDRN CCN(CC1CN(C(=O)OC(C)(C)C)C1)c1ccc(OC)cc1 ZINC000800357778 626353665 /nfs/dbraw/zinc/35/36/65/626353665.db2.gz WUQOVEOYBNCOPR-UHFFFAOYSA-N 0 0 320.433 3.388 20 10 DGCDRN Cc1cc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)no1 ZINC000800502362 626365371 /nfs/dbraw/zinc/36/53/71/626365371.db2.gz AQKNIYYCGVNEIH-HUUCEWRRSA-N 0 0 315.417 3.231 20 10 DGCDRN CSc1ccccc1[C@@H](C)NC(=O)c1cccc(O)c1O ZINC000800578092 626368423 /nfs/dbraw/zinc/36/84/23/626368423.db2.gz LWFVMFCUNRZOSJ-SNVBAGLBSA-N 0 0 303.383 3.311 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Cc1ccsc1 ZINC000839914178 626369694 /nfs/dbraw/zinc/36/96/94/626369694.db2.gz RMQVEXOTUSYVIZ-AWEZNQCLSA-N 0 0 316.470 3.412 20 10 DGCDRN CCc1nnc(N(C)Cc2ccc(N3CCCCC3)cc2)n1C ZINC000800742410 626372992 /nfs/dbraw/zinc/37/29/92/626372992.db2.gz LNDSMERFIGMEOJ-UHFFFAOYSA-N 0 0 313.449 3.004 20 10 DGCDRN CC[C@H](C)[C@@H](OC)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839921150 626373592 /nfs/dbraw/zinc/37/35/92/626373592.db2.gz IBQJCXRBCIYKQF-JCKWVBRZSA-N 0 0 320.477 3.169 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1(CCF)CC1 ZINC000839920817 626373595 /nfs/dbraw/zinc/37/35/95/626373595.db2.gz FGPAOOLICXOOIR-AWEZNQCLSA-N 0 0 306.425 3.248 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCCOC(C)C ZINC000839920697 626373607 /nfs/dbraw/zinc/37/36/07/626373607.db2.gz SJRHPYJWUMAJHR-MRXNPFEDSA-N 0 0 320.477 3.313 20 10 DGCDRN CC[C@@H]1CC[C@H](C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)O1 ZINC000839921058 626373732 /nfs/dbraw/zinc/37/37/32/626373732.db2.gz WREYJVXOEPYKIN-BMGDILEWSA-N 0 0 318.461 3.066 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CCCCS1 ZINC000839921269 626373977 /nfs/dbraw/zinc/37/39/77/626373977.db2.gz YGCQMCGRQQGCKN-YOEHRIQHSA-N 0 0 320.502 3.394 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CCCCS1 ZINC000839921268 626374017 /nfs/dbraw/zinc/37/40/17/626374017.db2.gz YGCQMCGRQQGCKN-WMLDXEAASA-N 0 0 320.502 3.394 20 10 DGCDRN CSC1(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CCC1 ZINC000839921325 626374189 /nfs/dbraw/zinc/37/41/89/626374189.db2.gz JIEZPNRRRLJGTQ-CQSZACIVSA-N 0 0 320.502 3.394 20 10 DGCDRN COc1ccc(O)c([C@@H](C)Nc2nc([C@H](C)OC)ns2)c1 ZINC000800848774 626379021 /nfs/dbraw/zinc/37/90/21/626379021.db2.gz CHOSZWZBBXMQTI-BDAKNGLRSA-N 0 0 309.391 3.133 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000839922691 626380238 /nfs/dbraw/zinc/38/02/38/626380238.db2.gz YICSTAPOCHTQRB-XWIAVFTESA-N 0 0 300.446 3.154 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+]CCCOC(F)F)c1 ZINC000800895653 626383393 /nfs/dbraw/zinc/38/33/93/626383393.db2.gz SRFRHGNXOVTYFC-UHFFFAOYSA-N 0 0 324.165 3.182 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cc(C(C)=O)c[nH]1 ZINC000800913484 626384808 /nfs/dbraw/zinc/38/48/08/626384808.db2.gz HVIUJCSGPAYLKB-UHFFFAOYSA-N 0 0 314.385 3.365 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)CCn1cc(C)cn1 ZINC000801549665 626409603 /nfs/dbraw/zinc/40/96/03/626409603.db2.gz VOKIIVLVFWMLLT-UHFFFAOYSA-N 0 0 315.417 3.116 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1ncc(C(F)(F)F)s1 ZINC000801753467 626417164 /nfs/dbraw/zinc/41/71/64/626417164.db2.gz UAJJRKRZSWMPPC-UHFFFAOYSA-N 0 0 317.292 3.189 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCCOCC1CC1 ZINC000802129706 626432607 /nfs/dbraw/zinc/43/26/07/626432607.db2.gz DTUGIQMQTXDXAC-UHFFFAOYSA-N 0 0 320.433 3.131 20 10 DGCDRN CCOc1ccc(O)c(CN2CCOc3cccc(F)c3C2)c1 ZINC000802655791 626565376 /nfs/dbraw/zinc/56/53/76/626565376.db2.gz CPFZYAAHHIITIB-UHFFFAOYSA-N 0 0 317.360 3.325 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2nc(C3CC3)oc2C)c1 ZINC000802781552 626571495 /nfs/dbraw/zinc/57/14/95/626571495.db2.gz ARSSDZHBDSCFDL-SECBINFHSA-N 0 0 316.357 3.066 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1ccc(C(F)(F)F)s1 ZINC000802784218 626571711 /nfs/dbraw/zinc/57/17/11/626571711.db2.gz LARPRTZIYKXDNB-UHFFFAOYSA-N 0 0 317.288 3.108 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1sccc1Cl ZINC000803089454 626594007 /nfs/dbraw/zinc/59/40/07/626594007.db2.gz ASYICOKEADFESM-MRVPVSSYSA-N 0 0 311.790 3.174 20 10 DGCDRN CCc1nc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C)o1 ZINC000803119978 626595365 /nfs/dbraw/zinc/59/53/65/626595365.db2.gz CXBHIOYFPNDEHT-LLVKDONJSA-N 0 0 301.390 3.102 20 10 DGCDRN Cc1coc(C)c1C(=O)NCc1cccc(Br)c1O ZINC000803213973 626597839 /nfs/dbraw/zinc/59/78/39/626597839.db2.gz JRQSWDSWQOFWEC-UHFFFAOYSA-N 0 0 324.174 3.295 20 10 DGCDRN COCCCCOC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000803260818 626600497 /nfs/dbraw/zinc/60/04/97/626600497.db2.gz URHVIOKLHSGZLB-UHFFFAOYSA-N 0 0 308.403 3.079 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C=C/c1cncc(C)c1)C[C@@H](C)O2 ZINC000131242246 626615203 /nfs/dbraw/zinc/61/52/03/626615203.db2.gz LWZDJAGUYKLCML-BTKRWWFXSA-N 0 0 324.380 3.226 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2(C)CC(F)(F)C2)c1 ZINC000883256050 626625566 /nfs/dbraw/zinc/62/55/66/626625566.db2.gz MHNGGHKUOYKJEN-SNVBAGLBSA-N 0 0 313.344 3.265 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CC[C@H]2CCCC2(F)F)c1 ZINC000883266601 626629789 /nfs/dbraw/zinc/62/97/89/626629789.db2.gz FCGUACLLMFGQMI-LLVKDONJSA-N 0 0 300.305 3.216 20 10 DGCDRN COc1ccc(N(C)Cc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000131955625 626689443 /nfs/dbraw/zinc/68/94/43/626689443.db2.gz LYGWICISDBRNGH-UHFFFAOYSA-N 0 0 302.330 3.248 20 10 DGCDRN C[C@@H](Nc1nnc(-c2ccon2)s1)c1ccc(N(C)C)cc1 ZINC000804621814 626698711 /nfs/dbraw/zinc/69/87/11/626698711.db2.gz HPRZPEFUKOCLEF-SNVBAGLBSA-N 0 0 315.402 3.432 20 10 DGCDRN CC[C@H]([NH2+][C@@H](CCO)CSC)c1cccc(Cl)c1[O-] ZINC000806139440 626701285 /nfs/dbraw/zinc/70/12/85/626701285.db2.gz AOHCBJOULBEIHJ-GWCFXTLKSA-N 0 0 303.855 3.200 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCCC1(F)F ZINC000806432480 626716001 /nfs/dbraw/zinc/71/60/01/626716001.db2.gz MSCCXEMQRJAISU-HNNXBMFYSA-N 0 0 323.387 3.274 20 10 DGCDRN CCC[C@@]1(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCOC1 ZINC000807141843 626747503 /nfs/dbraw/zinc/74/75/03/626747503.db2.gz WPXTVEHVYNVFSD-KBXCAEBGSA-N 0 0 319.449 3.072 20 10 DGCDRN CC1(CNC(=O)NCc2cc(Cl)ccc2O)CC(F)(F)C1 ZINC000883810036 626748591 /nfs/dbraw/zinc/74/85/91/626748591.db2.gz YHSORJOWWRPDGC-UHFFFAOYSA-N 0 0 318.751 3.280 20 10 DGCDRN COc1cc(C[N@@H+]2CCOC[C@@H]2CC2CCC2)c(O)cc1C ZINC000840093744 626755706 /nfs/dbraw/zinc/75/57/06/626755706.db2.gz JWGSBOHEFODGTC-INIZCTEOSA-N 0 0 305.418 3.100 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[C@H]1C ZINC000807557093 626759993 /nfs/dbraw/zinc/75/99/93/626759993.db2.gz UVMHLCJIFOEYDX-PBHICJAKSA-N 0 0 303.450 3.471 20 10 DGCDRN Cn1ccnc1[C@H]1N(Cc2c(O)ccc3ccncc32)CC1(C)C ZINC000840110655 626765413 /nfs/dbraw/zinc/76/54/13/626765413.db2.gz SFNIIKAPOBDUEE-QGZVFWFLSA-N 0 0 322.412 3.257 20 10 DGCDRN CC(C)Oc1ccc(NC(=O)c2cccc(O)c2O)c(F)c1 ZINC000807701968 626765433 /nfs/dbraw/zinc/76/54/33/626765433.db2.gz NYUGJVYJQNKBGB-UHFFFAOYSA-N 0 0 305.305 3.276 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2c(C)noc2C2CC2)c1 ZINC000133294024 626780295 /nfs/dbraw/zinc/78/02/95/626780295.db2.gz FIKYXTZCGXJAPZ-VIFPVBQESA-N 0 0 316.357 3.066 20 10 DGCDRN Nc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)OC23CCC3)cc1 ZINC000884008991 626788074 /nfs/dbraw/zinc/78/80/74/626788074.db2.gz IDWIRFXVRDFLSF-INIZCTEOSA-N 0 0 322.364 3.084 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1sccc1CC ZINC000808093237 626792037 /nfs/dbraw/zinc/79/20/37/626792037.db2.gz KSQKVYLNWPREAQ-UHFFFAOYSA-N 0 0 310.415 3.432 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(F)cc1C ZINC000808094936 626792585 /nfs/dbraw/zinc/79/25/85/626792585.db2.gz KPDSBKUDJFBWEY-UHFFFAOYSA-N 0 0 308.349 3.255 20 10 DGCDRN Cc1cc(C(=O)N2Cc3ccncc3C2)c(C)n1-c1ccccn1 ZINC000808101678 626793153 /nfs/dbraw/zinc/79/31/53/626793153.db2.gz KJRSEYSAUUEONC-UHFFFAOYSA-N 0 0 318.380 3.040 20 10 DGCDRN Cc1cc(C(=O)OCC(=O)C(F)F)c(C)n1-c1cccc(C)c1 ZINC000800087896 626804444 /nfs/dbraw/zinc/80/44/44/626804444.db2.gz KRTZUGPTYGMNFN-UHFFFAOYSA-N 0 0 321.323 3.394 20 10 DGCDRN C[C@@H](NC(=O)N(C)CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000800113589 626809310 /nfs/dbraw/zinc/80/93/10/626809310.db2.gz GGDIFXISMGNLHY-SNVBAGLBSA-N 0 0 303.328 3.017 20 10 DGCDRN COc1ccc(O)c(CNC(=O)CCCc2sccc2C)c1 ZINC000133598576 626818807 /nfs/dbraw/zinc/81/88/07/626818807.db2.gz USXDXJSYTLQLND-UHFFFAOYSA-N 0 0 319.426 3.410 20 10 DGCDRN CC(=O)C(=O)COC(=O)CC1CCC(c2ccccc2)CC1 ZINC000808516806 626835334 /nfs/dbraw/zinc/83/53/34/626835334.db2.gz QMZUYUNDUGJXMS-UHFFFAOYSA-N 0 0 302.370 3.052 20 10 DGCDRN O=C(NCc1ccccc1O)c1cccc(Br)c1 ZINC000133789060 626838553 /nfs/dbraw/zinc/83/85/53/626838553.db2.gz DKBAISMBWFHMCK-UHFFFAOYSA-N 0 0 306.159 3.085 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])[C@H](O)c1ccccc1 ZINC000808721087 626853689 /nfs/dbraw/zinc/85/36/89/626853689.db2.gz HORBHWMZJKWCLH-USBNGQNGSA-N 0 0 307.340 3.443 20 10 DGCDRN O=C(Cc1cccc(Br)c1)NCc1ccccc1O ZINC000134240897 626866790 /nfs/dbraw/zinc/86/67/90/626866790.db2.gz NYYIGVSBROJSPT-UHFFFAOYSA-N 0 0 320.186 3.014 20 10 DGCDRN COc1ccc(CN(C)c2ccc3c(c2)OCO3)c(C)c1OC ZINC000809636805 626930279 /nfs/dbraw/zinc/93/02/79/626930279.db2.gz FTMDDJLONUPCAW-UHFFFAOYSA-N 0 0 315.369 3.377 20 10 DGCDRN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1c([O-])ccc(Cl)c1F ZINC000809696974 626937788 /nfs/dbraw/zinc/93/77/88/626937788.db2.gz BDTDPWLFGRLDII-DJEXJWGGSA-N 0 0 311.784 3.040 20 10 DGCDRN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1c([O-])ccc(Cl)c1F ZINC000809696979 626938254 /nfs/dbraw/zinc/93/82/54/626938254.db2.gz BDTDPWLFGRLDII-SEFSZJDBSA-N 0 0 311.784 3.040 20 10 DGCDRN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1cc(Cl)cc(F)c1[O-] ZINC000809698248 626938273 /nfs/dbraw/zinc/93/82/73/626938273.db2.gz WRJGPBGQFTXCCA-PYJLPLTJSA-N 0 0 311.784 3.040 20 10 DGCDRN C[C@@]1(CCCO)CCC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000809757723 626948284 /nfs/dbraw/zinc/94/82/84/626948284.db2.gz SFBWHSRPVWYWAZ-HNNXBMFYSA-N 0 0 301.789 3.312 20 10 DGCDRN O=C1OCc2c1cccc2NCc1cc(Cl)cc(F)c1O ZINC000809791128 626954307 /nfs/dbraw/zinc/95/43/07/626954307.db2.gz VAMXJSYCURZZCA-UHFFFAOYSA-N 0 0 307.708 3.467 20 10 DGCDRN CN(C)c1ccc(OCCOCC(F)(F)C(F)(F)F)cc1 ZINC000810001159 626967564 /nfs/dbraw/zinc/96/75/64/626967564.db2.gz YVYPECTUVMTSRH-UHFFFAOYSA-N 0 0 313.266 3.346 20 10 DGCDRN COc1cc(COc2ccc(N(C)C)cc2)c([N+](=O)[O-])cc1F ZINC000810001196 626967574 /nfs/dbraw/zinc/96/75/74/626967574.db2.gz ZZPUJZZCUZXYIX-UHFFFAOYSA-N 0 0 320.320 3.388 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccn2ccnc2c1 ZINC000810228088 626990358 /nfs/dbraw/zinc/99/03/58/626990358.db2.gz ARLCROFMWYVBQT-UHFFFAOYSA-N 0 0 323.400 3.030 20 10 DGCDRN Cc1cccc(C)c1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000137465261 627126471 /nfs/dbraw/zinc/12/64/71/627126471.db2.gz OEUOYGUSNVBYRO-UHFFFAOYSA-N 0 0 324.424 3.070 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1COc2ccccc2C1)c1c([O-])cccc1F ZINC000886513089 627155407 /nfs/dbraw/zinc/15/54/07/627155407.db2.gz SZKVYMZGBJYEDG-QWHCGFSZSA-N 0 0 301.361 3.433 20 10 DGCDRN COc1ccc(C[NH2+][C@H](C)c2c([O-])cccc2F)cc1[N+](=O)[O-] ZINC000886516478 627155642 /nfs/dbraw/zinc/15/56/42/627155642.db2.gz JKAWWBZVLMHRPB-SNVBAGLBSA-N 0 0 320.320 3.299 20 10 DGCDRN COC1CCN(C(C)(C)C[NH2+][C@@H](C)c2c([O-])cccc2F)CC1 ZINC000886524824 627156861 /nfs/dbraw/zinc/15/68/61/627156861.db2.gz RRTUDXZELARYOO-ZDUSSCGKSA-N 0 0 324.440 3.071 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1c([O-])cccc1F ZINC000886530519 627157932 /nfs/dbraw/zinc/15/79/32/627157932.db2.gz LWLCOXQIUXBYTG-HIFRSBDPSA-N 0 0 303.377 3.348 20 10 DGCDRN C[C@@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1c([O-])cccc1F ZINC000886555238 627162401 /nfs/dbraw/zinc/16/24/01/627162401.db2.gz NYEDAIMXKTXIBH-XIKOKIGWSA-N 0 0 301.361 3.016 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1c([O-])cccc1F ZINC000886553895 627162548 /nfs/dbraw/zinc/16/25/48/627162548.db2.gz XRDBRDPSOHHGOL-MKBNYLNASA-N 0 0 311.422 3.237 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccncc2)C1)c1c([O-])cccc1F ZINC000886620134 627174953 /nfs/dbraw/zinc/17/49/53/627174953.db2.gz CJMSTNKOUMCJHN-RVSPLBMKSA-N 0 0 316.376 3.497 20 10 DGCDRN C[C@H]([NH2+]C[C@H](O)[C@@H](C)c1ccccc1)c1c([O-])cccc1F ZINC000886640100 627178586 /nfs/dbraw/zinc/17/85/86/627178586.db2.gz RJJGCBZDOOJLRJ-DCGLDWPTSA-N 0 0 303.377 3.347 20 10 DGCDRN CC[C@H]([NH2+][C@H](CO)C[C@H]1CCCO1)c1cccc(Cl)c1[O-] ZINC000886670389 627185686 /nfs/dbraw/zinc/18/56/86/627185686.db2.gz NWTLAAHDIXNGIK-ZOWXZIJZSA-N 0 0 313.825 3.016 20 10 DGCDRN CCN1C(=O)c2ccccc2N[C@H]1c1cc(C)cc(OC)c1O ZINC000887324063 627243982 /nfs/dbraw/zinc/24/39/82/627243982.db2.gz QCFXZWXYZDIOLT-QGZVFWFLSA-N 0 0 312.369 3.296 20 10 DGCDRN COc1cc(C)cc([C@H]2Nc3ccc(C)cc3C(=O)N2C)c1O ZINC000887328006 627244578 /nfs/dbraw/zinc/24/45/78/627244578.db2.gz HOCSQCUTQPLWMY-KRWDZBQOSA-N 0 0 312.369 3.214 20 10 DGCDRN O=[N+]([O-])c1cncc(Br)c1NCc1ccccc1O ZINC000223229959 627282627 /nfs/dbraw/zinc/28/26/27/627282627.db2.gz APHXVKVZEHVGCB-UHFFFAOYSA-N 0 0 324.134 3.070 20 10 DGCDRN CCN(CC)c1ccc(CN(C)Cc2cn3cccnc3n2)cc1 ZINC000887567999 627286576 /nfs/dbraw/zinc/28/65/76/627286576.db2.gz OQMGQOGLQOQNCA-UHFFFAOYSA-N 0 0 323.444 3.208 20 10 DGCDRN O=S(=O)(CCc1cccs1)Nc1ccc(O)c(Cl)c1 ZINC000811694990 627306603 /nfs/dbraw/zinc/30/66/03/627306603.db2.gz VQUHDOBEOZUICG-UHFFFAOYSA-N 0 0 317.819 3.092 20 10 DGCDRN Cc1ccc2c(c1)/C(=C\c1cn3cc(C)ccc3n1)C(=O)N2C ZINC000811700208 627308005 /nfs/dbraw/zinc/30/80/05/627308005.db2.gz IKQQXAJMQFQSNG-CXUHLZMHSA-N 0 0 303.365 3.468 20 10 DGCDRN Cc1cccc(C)c1NC(=S)NCc1ncccc1N(C)C ZINC000811709940 627309106 /nfs/dbraw/zinc/30/91/06/627309106.db2.gz UCACHUYCIUVHGI-UHFFFAOYSA-N 0 0 314.458 3.251 20 10 DGCDRN Cc1ccc(NC(=S)NCc2ncccc2N(C)C)cc1F ZINC000811709583 627309396 /nfs/dbraw/zinc/30/93/96/627309396.db2.gz BNIBBCLSSSBZGS-UHFFFAOYSA-N 0 0 318.421 3.082 20 10 DGCDRN Cc1cc2c(NCc3c(O)ccc4c3CCCC4)nccn2n1 ZINC000811808830 627323784 /nfs/dbraw/zinc/32/37/84/627323784.db2.gz QCAYCLIINBOVHD-UHFFFAOYSA-N 0 0 308.385 3.234 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C)[C@@H](C)OC)cc1 ZINC000811958021 627340829 /nfs/dbraw/zinc/34/08/29/627340829.db2.gz PXWTWZZZBWUVBY-HUUCEWRRSA-N 0 0 321.465 3.098 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CC[C@H](C3CCC3)C2)cc1 ZINC000840244532 627342642 /nfs/dbraw/zinc/34/26/42/627342642.db2.gz OVBWZQRRSIXADG-INIZCTEOSA-N 0 0 301.434 3.084 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@H](C3CC3)C2)cc1F ZINC000812018567 627347866 /nfs/dbraw/zinc/34/78/66/627347866.db2.gz SEJMSWQJNXSBAW-HNNXBMFYSA-N 0 0 319.424 3.223 20 10 DGCDRN Cc1ncn(-c2ccc(NC(=O)c3cccc(O)c3O)cc2)c1C ZINC000812739334 627414381 /nfs/dbraw/zinc/41/43/81/627414381.db2.gz CBGGDFVHBVACDN-UHFFFAOYSA-N 0 0 323.352 3.153 20 10 DGCDRN CC[N@H+](Cc1cc(C)cc(Br)c1[O-])[C@@H]1CCOC1 ZINC000812780718 627419672 /nfs/dbraw/zinc/41/96/72/627419672.db2.gz PCHDBWJLTCPLRG-GFCCVEGCSA-N 0 0 314.223 3.074 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CC(C)(CC)C2)cc1 ZINC000813043770 627443647 /nfs/dbraw/zinc/44/36/47/627443647.db2.gz QBMJAUGSKJXWPA-UHFFFAOYSA-N 0 0 303.450 3.474 20 10 DGCDRN C[C@@H](NC(=O)CC(F)(F)C(F)F)c1ccc(N(C)C)cc1 ZINC000890031545 627495703 /nfs/dbraw/zinc/49/57/03/627495703.db2.gz YRPLEYJCHCQAMI-SECBINFHSA-N 0 0 306.303 3.220 20 10 DGCDRN Oc1ccccc1CNc1cc(N2CCc3ccccc32)ncn1 ZINC000813591501 627500511 /nfs/dbraw/zinc/50/05/11/627500511.db2.gz YJJSFLKLMJJHNV-UHFFFAOYSA-N 0 0 318.380 3.489 20 10 DGCDRN CNC(=O)Oc1cccc(NCc2cc(Cl)ccc2O)c1 ZINC000813791302 627512106 /nfs/dbraw/zinc/51/21/06/627512106.db2.gz FGDAVLSVNWFLBQ-UHFFFAOYSA-N 0 0 306.749 3.376 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ncc(C)o2)cc1 ZINC000813798365 627512622 /nfs/dbraw/zinc/51/26/22/627512622.db2.gz BRDQRDQGKIHWIT-UHFFFAOYSA-N 0 0 301.390 3.101 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NC[C@H]2CCC[C@@H]2C2CC2)c1 ZINC000840298388 627512690 /nfs/dbraw/zinc/51/26/90/627512690.db2.gz SYBVDUZMZVXMPV-CZUORRHYSA-N 0 0 318.417 3.026 20 10 DGCDRN Cc1nsc(C)c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000814125324 627543577 /nfs/dbraw/zinc/54/35/77/627543577.db2.gz YIGDDYIXRZURSV-JTQLQIEISA-N 0 0 303.431 3.317 20 10 DGCDRN CCN(CC)c1ccc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000106958318 627545424 /nfs/dbraw/zinc/54/54/24/627545424.db2.gz GOPSSCVXUCGGGX-UHFFFAOYSA-N 0 0 310.401 3.315 20 10 DGCDRN OC[C@H]1Cc2ccccc2N(Cc2c(O)cccc2Cl)C1 ZINC000814169941 627546059 /nfs/dbraw/zinc/54/60/59/627546059.db2.gz PSWPSUAVZMHJLR-LBPRGKRZSA-N 0 0 303.789 3.217 20 10 DGCDRN Cc1cccc(CN2C[C@@H](C(F)(F)F)OC(C)(C)C2)c1O ZINC000814176832 627546189 /nfs/dbraw/zinc/54/61/89/627546189.db2.gz VVXMVWURBJTHFM-LBPRGKRZSA-N 0 0 303.324 3.242 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000814178490 627546866 /nfs/dbraw/zinc/54/68/66/627546866.db2.gz RUMYWJKGADEFSU-GFCCVEGCSA-N 0 0 313.800 3.433 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000814178491 627547072 /nfs/dbraw/zinc/54/70/72/627547072.db2.gz RUMYWJKGADEFSU-LBPRGKRZSA-N 0 0 313.800 3.433 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)c1 ZINC000814301499 627557998 /nfs/dbraw/zinc/55/79/98/627557998.db2.gz VGFGTUHUFGMZJU-NNUKFRKNSA-N 0 0 316.332 3.475 20 10 DGCDRN C[C@@H](NC(=O)CCc1cncs1)c1ccc(N(C)C)cc1 ZINC000814415576 627563661 /nfs/dbraw/zinc/56/36/61/627563661.db2.gz WGDBDHSVIQIVGW-GFCCVEGCSA-N 0 0 303.431 3.019 20 10 DGCDRN Cc1ccc(-c2n[nH]cc2C=C2SC(=S)NC2=O)cc1 ZINC000006607483 627566402 /nfs/dbraw/zinc/56/64/02/627566402.db2.gz OZDBJHSJBUENRB-IZZDOVSWSA-N 0 0 301.396 3.285 20 10 DGCDRN CCN(Cc1nn(C)cc1Br)c1ccc(OC)cc1 ZINC000814624777 627580494 /nfs/dbraw/zinc/58/04/94/627580494.db2.gz AGKWXUSIPGAXKY-UHFFFAOYSA-N 0 0 324.222 3.218 20 10 DGCDRN CSC1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CCCCC1 ZINC000924238554 627616678 /nfs/dbraw/zinc/61/66/78/627616678.db2.gz MICVQGQXKGZHRX-SOFGYWHQSA-N 0 0 321.442 3.293 20 10 DGCDRN CCC1(CC)CN(Cc2ccc(N(C)C)c(C)c2)CC[S@@]1=O ZINC000815094929 627626003 /nfs/dbraw/zinc/62/60/03/627626003.db2.gz PTJQREQDHWOIIO-QFIPXVFZSA-N 0 0 322.518 3.184 20 10 DGCDRN Cc1cc(CN2C[C@H](C(F)(F)F)OC[C@H]2C)ccc1N(C)C ZINC000815116356 627628879 /nfs/dbraw/zinc/62/88/79/627628879.db2.gz KFYPVJSQTMTCSA-IUODEOHRSA-N 0 0 316.367 3.213 20 10 DGCDRN CCN(C)c1ccc(CN2CCOc3cc(O)ccc3C2)cc1 ZINC000815118277 627629721 /nfs/dbraw/zinc/62/97/21/627629721.db2.gz USDPHQPJTAVTRE-UHFFFAOYSA-N 0 0 312.413 3.243 20 10 DGCDRN C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815558676 627684930 /nfs/dbraw/zinc/68/49/30/627684930.db2.gz KTIVULZTFOEDJG-QWRGUYRKSA-N 0 0 313.323 3.347 20 10 DGCDRN C[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815577977 627686390 /nfs/dbraw/zinc/68/63/90/627686390.db2.gz DYSJEFQHBDEJPU-YMTOWFKASA-N 0 0 303.324 3.223 20 10 DGCDRN CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815583040 627687860 /nfs/dbraw/zinc/68/78/60/627687860.db2.gz VNHUGXZMNCUXPU-VDDIYKPWSA-N 0 0 323.380 3.174 20 10 DGCDRN C[C@H]([NH2+][C@@H](CCO)C1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815594763 627689195 /nfs/dbraw/zinc/68/91/95/627689195.db2.gz XMWNUPAIEKBQCQ-ZANVPECISA-N 0 0 303.324 3.223 20 10 DGCDRN CC(C)[C@H](CO)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815626249 627692451 /nfs/dbraw/zinc/69/24/51/627692451.db2.gz ZHYBNXQFEMRASP-QWRGUYRKSA-N 0 0 305.340 3.326 20 10 DGCDRN CCOC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCCC1 ZINC000815644823 627693920 /nfs/dbraw/zinc/69/39/20/627693920.db2.gz MYVGPACDOHOEFS-GFCCVEGCSA-N 0 0 308.378 3.300 20 10 DGCDRN CO[C@@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])C1CC1 ZINC000815651680 627694870 /nfs/dbraw/zinc/69/48/70/627694870.db2.gz ZUHLJBFQFUPDGC-ZANVPECISA-N 0 0 303.324 3.487 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@@H](OC)C1 ZINC000815797294 627704822 /nfs/dbraw/zinc/70/48/22/627704822.db2.gz KJJFUFHNCHCZQW-GOEBONIOSA-N 0 0 305.418 3.336 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2ccn(C(C)C)c2C)c1 ZINC000815835528 627707079 /nfs/dbraw/zinc/70/70/79/627707079.db2.gz WWKXZWDJQFSIAN-UHFFFAOYSA-N 0 0 302.374 3.022 20 10 DGCDRN CO[C@@H]1CCCC[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000815835831 627707176 /nfs/dbraw/zinc/70/71/76/627707176.db2.gz HAXWFLKPJTVQND-MAUKXSAKSA-N 0 0 317.429 3.092 20 10 DGCDRN CNC(=O)c1cccc(NCc2cc(Cl)c(F)cc2O)c1C ZINC000816522206 627802013 /nfs/dbraw/zinc/80/20/13/627802013.db2.gz OPLLVRPOIGZLLN-UHFFFAOYSA-N 0 0 322.767 3.465 20 10 DGCDRN C[C@@H](CN1CCC[C@H](C)C1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816538218 627804440 /nfs/dbraw/zinc/80/44/40/627804440.db2.gz JJCPUWWQDWKWGT-RYUDHWBXSA-N 0 0 314.832 3.395 20 10 DGCDRN C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816550440 627805699 /nfs/dbraw/zinc/80/56/99/627805699.db2.gz RCUXXEIFFLTUPY-BDJLRTHQSA-N 0 0 323.795 3.439 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC1(O)CCCCCC1 ZINC000816552094 627806061 /nfs/dbraw/zinc/80/60/61/627806061.db2.gz APIFZQBXRQEBBF-UHFFFAOYSA-N 0 0 301.789 3.360 20 10 DGCDRN CC1(C)[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])[C@H]2CCCO[C@H]21 ZINC000816555145 627806885 /nfs/dbraw/zinc/80/68/85/627806885.db2.gz VJZZNZPZNUWYFT-VCTAVGKDSA-N 0 0 313.800 3.478 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000816557824 627807319 /nfs/dbraw/zinc/80/73/19/627807319.db2.gz CEWLNDKILIGVCQ-QGZVFWFLSA-N 0 0 321.779 3.108 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000816557823 627807684 /nfs/dbraw/zinc/80/76/84/627807684.db2.gz CEWLNDKILIGVCQ-KRWDZBQOSA-N 0 0 321.779 3.108 20 10 DGCDRN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@H]1CCCC[C@@H]1O ZINC000816564440 627808299 /nfs/dbraw/zinc/80/82/99/627808299.db2.gz GFKFHRYIXDOZEO-YGRLFVJLSA-N 0 0 301.789 3.168 20 10 DGCDRN C[C@]1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCO[C@H]1C1CC1 ZINC000816570775 627810078 /nfs/dbraw/zinc/81/00/78/627810078.db2.gz HDYWWVKFYIQLJU-JKSUJKDBSA-N 0 0 313.800 3.480 20 10 DGCDRN C[C@]1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCO[C@@H]1C1CC1 ZINC000816570774 627810233 /nfs/dbraw/zinc/81/02/33/627810233.db2.gz HDYWWVKFYIQLJU-HZPDHXFCSA-N 0 0 313.800 3.480 20 10 DGCDRN CC(C)n1cnnc1CN(C)Cc1ccc2ccccc2c1O ZINC000816616701 627815645 /nfs/dbraw/zinc/81/56/45/627815645.db2.gz CRVNZFXJSMAEOW-UHFFFAOYSA-N 0 0 310.401 3.350 20 10 DGCDRN CC[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000816625139 627816560 /nfs/dbraw/zinc/81/65/60/627816560.db2.gz TWPMLYCQYPYJCX-AULYBMBSSA-N 0 0 308.378 3.367 20 10 DGCDRN OC[C@H]1CN(Cc2c(O)ccc(Cl)c2F)c2ccccc21 ZINC000816637304 627817421 /nfs/dbraw/zinc/81/74/21/627817421.db2.gz ZGKZIMIZTFUMRJ-SNVBAGLBSA-N 0 0 307.752 3.281 20 10 DGCDRN Cc1cc(Cl)cc(CN2C[C@]3(CCCO3)[C@@H]2C2CC2)c1O ZINC000816665999 627822692 /nfs/dbraw/zinc/82/26/92/627822692.db2.gz BPDCOODJUAGWLO-DLBZAZTESA-N 0 0 307.821 3.497 20 10 DGCDRN COc1cccc(O)c1CN1Cc2cnn(-c3ccccc3)c2C1 ZINC000816667997 627823137 /nfs/dbraw/zinc/82/31/37/627823137.db2.gz BTNURAXDZUCKGH-UHFFFAOYSA-N 0 0 321.380 3.102 20 10 DGCDRN Cc1ccc(C(=O)NC[C@@H]2CCCCC(F)(F)C2)c(O)c1O ZINC000816789536 627830831 /nfs/dbraw/zinc/83/08/31/627830831.db2.gz QSLOLVGXYYMKEN-LLVKDONJSA-N 0 0 313.344 3.352 20 10 DGCDRN Cc1cc(C(=O)N2CCO[C@H]3C[C@H]32)c(C)n1-c1ccccc1C ZINC000816896911 627837646 /nfs/dbraw/zinc/83/76/46/627837646.db2.gz UUHYVYKPWJROFB-MSOLQXFVSA-N 0 0 310.397 3.016 20 10 DGCDRN COc1ccc(N(C)Cc2nn(C)cc2Cl)cc1Cl ZINC000817274094 627875728 /nfs/dbraw/zinc/87/57/28/627875728.db2.gz BHKQBVATENTJGA-UHFFFAOYSA-N 0 0 300.189 3.372 20 10 DGCDRN CCc1nnc(CN2C[C@@H](C(C)C)Cc3cc(OC)ccc32)o1 ZINC000817298121 627879568 /nfs/dbraw/zinc/87/95/68/627879568.db2.gz FXTHGILEJAMLIN-AWEZNQCLSA-N 0 0 315.417 3.476 20 10 DGCDRN CC[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1 ZINC000817414486 627896826 /nfs/dbraw/zinc/89/68/26/627896826.db2.gz GEVCVRFAKYFNOR-NEPJUHHUSA-N 0 0 314.769 3.001 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H](CCO)CC1 ZINC000817419202 627897767 /nfs/dbraw/zinc/89/77/67/627897767.db2.gz QYFUSGFIQZLFNC-NSHDSACASA-N 0 0 301.789 3.169 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)[C@H]1CC12CC2 ZINC000817438419 627901458 /nfs/dbraw/zinc/90/14/58/627901458.db2.gz GHZIJYHTRXVVBG-GFCCVEGCSA-N 0 0 304.353 3.135 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@]2(C)CC2(F)F)cc1F ZINC000817531574 627916479 /nfs/dbraw/zinc/91/64/79/627916479.db2.gz RGHJCQDFNSFTPD-OAHLLOKOSA-N 0 0 314.351 3.333 20 10 DGCDRN CCCN1C[C@H](C[NH2+][C@H](CC)c2cccc(Cl)c2[O-])CC1=O ZINC000817588998 627927374 /nfs/dbraw/zinc/92/73/74/627927374.db2.gz KQIBZEQHIDCJEZ-SWLSCSKDSA-N 0 0 324.852 3.345 20 10 DGCDRN O=C(NCc1cc(Br)ccc1O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000817601544 627928491 /nfs/dbraw/zinc/92/84/91/627928491.db2.gz ARAYBIWGXUPFMZ-GMTAPVOTSA-N 0 0 324.218 3.207 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NCCC2CC=CC2)cc1 ZINC000926708443 627937506 /nfs/dbraw/zinc/93/75/06/627937506.db2.gz IACHTDVEYUMLEO-UHFFFAOYSA-N 0 0 301.434 3.250 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCCCC1(O)CCC1 ZINC000817789667 627949428 /nfs/dbraw/zinc/94/94/28/627949428.db2.gz QMZOAIAIBUHRSJ-UHFFFAOYSA-N 0 0 320.433 3.009 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1F ZINC000817881423 627952840 /nfs/dbraw/zinc/95/28/40/627952840.db2.gz RRPAVWBKWIJEAY-HIFRSBDPSA-N 0 0 322.424 3.357 20 10 DGCDRN CC[C@@H](C)[C@H](C)NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817923515 627962681 /nfs/dbraw/zinc/96/26/81/627962681.db2.gz LFCWLLCZTMMHKN-NEPJUHHUSA-N 0 0 317.458 3.481 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CCCNC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817940847 627968400 /nfs/dbraw/zinc/96/84/00/627968400.db2.gz LGBILDZLUCIXJL-SKDRFNHKSA-N 0 0 303.233 3.492 20 10 DGCDRN CC[NH2+]CCN[C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817951578 627972453 /nfs/dbraw/zinc/97/24/53/627972453.db2.gz GTNFUYXCBYRQQL-QMMMGPOBSA-N 0 0 321.646 3.068 20 10 DGCDRN CC[C@H](N[C@@H]1C[NH2+]CCC1(F)F)c1cccc(Cl)c1[O-] ZINC000817979776 627981976 /nfs/dbraw/zinc/98/19/76/627981976.db2.gz FDNSNBMUPKRNKY-NWDGAFQWSA-N 0 0 304.768 3.084 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCS[C@H](C)C2)c1 ZINC000927032413 628000474 /nfs/dbraw/zinc/00/04/74/628000474.db2.gz MZKIGKDHMQUKIG-NTZNESFSSA-N 0 0 309.431 3.114 20 10 DGCDRN CN(C)c1ccc(CNc2ccc(COCCO)cc2)cc1F ZINC000818233088 628007628 /nfs/dbraw/zinc/00/76/28/628007628.db2.gz ATFVBXJBXVYRHH-UHFFFAOYSA-N 0 0 318.392 3.013 20 10 DGCDRN C[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@H]1C(=O)[O-] ZINC000818631805 628045003 /nfs/dbraw/zinc/04/50/03/628045003.db2.gz QSDSHUFRZLKUBY-MAUKXSAKSA-N 0 0 316.445 3.362 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])cc1F ZINC000818631094 628045231 /nfs/dbraw/zinc/04/52/31/628045231.db2.gz CDUFEHMWMZILSC-DYVFJYSZSA-N 0 0 322.424 3.357 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H](COC)C(C)C ZINC000927583857 628079872 /nfs/dbraw/zinc/07/98/72/628079872.db2.gz DNLMOMRWTCURLL-INIZCTEOSA-N 0 0 322.449 3.232 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CC[C@@H]1C ZINC000840372447 628083070 /nfs/dbraw/zinc/08/30/70/628083070.db2.gz DOHWWRUTSODRJI-RVSPLBMKSA-N 0 0 303.450 3.090 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)/C=C\[C@@H]1CCCO1 ZINC000819137676 628098383 /nfs/dbraw/zinc/09/83/83/628098383.db2.gz HBLCKNUEXMBJQQ-JYBLJSLWSA-N 0 0 316.445 3.225 20 10 DGCDRN CC[C@@H]1CCCC[C@@H]1N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819165235 628104129 /nfs/dbraw/zinc/10/41/29/628104129.db2.gz RAVNKIZFHNMDST-HIFRSBDPSA-N 0 0 316.401 3.125 20 10 DGCDRN CCCC[C@H](CC)CN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819166515 628104641 /nfs/dbraw/zinc/10/46/41/628104641.db2.gz WRUYFGAFLUAMKZ-AWEZNQCLSA-N 0 0 318.417 3.373 20 10 DGCDRN O=C(/C=C/[C@@H]1CCCO1)NCc1ccc(N2CCCCC2)cc1 ZINC000819183169 628108157 /nfs/dbraw/zinc/10/81/57/628108157.db2.gz AJMUZNAJQXCTRK-ZGKFYVQTSA-N 0 0 314.429 3.028 20 10 DGCDRN COC[C@H](O)CNc1cc2oc3ccccc3c2cc1OC ZINC000819399765 628147818 /nfs/dbraw/zinc/14/78/18/628147818.db2.gz XEAFGFFTXHKJOA-LLVKDONJSA-N 0 0 301.342 3.014 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@H](C)CC2)cc1 ZINC000928532621 628160128 /nfs/dbraw/zinc/16/01/28/628160128.db2.gz YQINMXGDRCDRFB-INIZCTEOSA-N 0 0 312.413 3.345 20 10 DGCDRN O[C@@H](CNc1ccccc1OCCF)COc1ccc(F)cc1 ZINC000819489406 628162940 /nfs/dbraw/zinc/16/29/40/628162940.db2.gz UQYMKMFMBIWETE-AWEZNQCLSA-N 0 0 323.339 3.026 20 10 DGCDRN O[C@H](CNc1ccccc1OCCF)COc1ccc(F)cc1 ZINC000819489408 628163007 /nfs/dbraw/zinc/16/30/07/628163007.db2.gz UQYMKMFMBIWETE-CQSZACIVSA-N 0 0 323.339 3.026 20 10 DGCDRN CCC(CC)CC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819584420 628171404 /nfs/dbraw/zinc/17/14/04/628171404.db2.gz JFOLKZVJMWLWNA-MRXNPFEDSA-N 0 0 318.461 3.464 20 10 DGCDRN CCC[C@H](C)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819583702 628171439 /nfs/dbraw/zinc/17/14/39/628171439.db2.gz ZCINYRDAAXMHTA-GJZGRUSLSA-N 0 0 304.434 3.074 20 10 DGCDRN CCC[C@H](C)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819583704 628171561 /nfs/dbraw/zinc/17/15/61/628171561.db2.gz ZCINYRDAAXMHTA-LSDHHAIUSA-N 0 0 304.434 3.074 20 10 DGCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CC34CC4)c2C)cc1 ZINC000819625118 628173686 /nfs/dbraw/zinc/17/36/86/628173686.db2.gz MXVGIGDSXQBKMP-KRWDZBQOSA-N 0 0 310.397 3.385 20 10 DGCDRN CCC(CC)n1ccc(C(=O)NCc2c(O)cccc2F)n1 ZINC000928704812 628179577 /nfs/dbraw/zinc/17/95/77/628179577.db2.gz DJUDJBHEWLQOPX-UHFFFAOYSA-N 0 0 305.353 3.019 20 10 DGCDRN CCC[C@H](C)CC(=O)N(CC(=O)OCC)Cc1ccccc1O ZINC000819696109 628180030 /nfs/dbraw/zinc/18/00/30/628180030.db2.gz LPPVVJRUEAJKJE-AWEZNQCLSA-N 0 0 321.417 3.110 20 10 DGCDRN CCC/C(C)=C\C(=O)N(CC(=O)OCC)Cc1ccccc1O ZINC000819696345 628180401 /nfs/dbraw/zinc/18/04/01/628180401.db2.gz QLSFOWUJIDDKHX-KAMYIIQDSA-N 0 0 319.401 3.030 20 10 DGCDRN C[C@@H](NC(=O)[C@@H]1CCc2cccnc21)c1ccc(N(C)C)cc1 ZINC000819931748 628201462 /nfs/dbraw/zinc/20/14/62/628201462.db2.gz SWKUQYISBQHNHK-CXAGYDPISA-N 0 0 309.413 3.055 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N(CC2CC2)CC2CC2)cc1 ZINC000820035057 628215597 /nfs/dbraw/zinc/21/55/97/628215597.db2.gz CTRAZDDGEXWMFM-UHFFFAOYSA-N 0 0 300.362 3.111 20 10 DGCDRN Cc1cc(C(=O)N2Cc3c[nH]nc3C2)c(C)n1-c1ccc(F)cc1 ZINC000820213600 628235629 /nfs/dbraw/zinc/23/56/29/628235629.db2.gz NWPPQKIAFOZDKZ-UHFFFAOYSA-N 0 0 324.359 3.112 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCC[C@H]1CC1(Cl)Cl ZINC000820450610 628259763 /nfs/dbraw/zinc/25/97/63/628259763.db2.gz LCJAJQJMDMNQQV-YWNRKNDBSA-N 0 0 317.168 3.238 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1noc2c1CC(C)(C)CC2 ZINC000820878902 628308194 /nfs/dbraw/zinc/30/81/94/628308194.db2.gz LYWKTBFNXFNLPI-UHFFFAOYSA-N 0 0 314.385 3.167 20 10 DGCDRN Cc1ccncc1CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000821033568 628328896 /nfs/dbraw/zinc/32/88/96/628328896.db2.gz WKAMHRDBCVVCAA-UHFFFAOYSA-N 0 0 323.440 3.190 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC1(C)C ZINC000840409202 628336332 /nfs/dbraw/zinc/33/63/32/628336332.db2.gz CZHNFPKRRLGFRK-INIZCTEOSA-N 0 0 303.450 3.471 20 10 DGCDRN CCCCCCO[C@H](C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000840415753 628343327 /nfs/dbraw/zinc/34/33/27/628343327.db2.gz HVJXUUWVQUVINZ-UONOGXRCSA-N 0 0 323.433 3.130 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)C1(OC)CCC1 ZINC000840455350 628352837 /nfs/dbraw/zinc/35/28/37/628352837.db2.gz YNHVSRGCKWGZGT-CQSZACIVSA-N 0 0 320.433 3.271 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1nccc2[nH]ccc21 ZINC000821841958 628402502 /nfs/dbraw/zinc/40/25/02/628402502.db2.gz HUASSNRBXKNGDT-UHFFFAOYSA-N 0 0 320.396 3.093 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1COC2(CCC2)C1 ZINC000821901892 628409453 /nfs/dbraw/zinc/40/94/53/628409453.db2.gz KPGHYJWAHMHFBY-OAHLLOKOSA-N 0 0 318.417 3.025 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C[C@]2(C)CC2(Cl)Cl)cc1 ZINC000822226983 628431410 /nfs/dbraw/zinc/43/14/10/628431410.db2.gz PSPNSKHOBRLAII-CQSZACIVSA-N 0 0 315.244 3.343 20 10 DGCDRN CCC(=O)C1(C(=O)N(C)Cc2ccc(N(CC)CC)cc2)CC1 ZINC000822268475 628434541 /nfs/dbraw/zinc/43/45/41/628434541.db2.gz BPDQUGKCZMYHMC-UHFFFAOYSA-N 0 0 316.445 3.251 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCC[C@@H](C)O1 ZINC000822411894 628448566 /nfs/dbraw/zinc/44/85/66/628448566.db2.gz QNVFUENYRNMANZ-GDBMZVCRSA-N 0 0 320.433 3.271 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCC[C@H](C)O1 ZINC000822411895 628448793 /nfs/dbraw/zinc/44/87/93/628448793.db2.gz QNVFUENYRNMANZ-GOEBONIOSA-N 0 0 320.433 3.271 20 10 DGCDRN CCC[C@@H](OC)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000822653135 628475419 /nfs/dbraw/zinc/47/54/19/628475419.db2.gz ZKASFZNCAJMSCC-QGZVFWFLSA-N 0 0 306.450 3.305 20 10 DGCDRN Cc1cnccc1/C=C/C(=O)NCc1ccc2c(c1)CCCN2C ZINC000822867518 628504209 /nfs/dbraw/zinc/50/42/09/628504209.db2.gz AHPXRHFAGPKKON-SOFGYWHQSA-N 0 0 321.424 3.102 20 10 DGCDRN CC1(C)CN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C1CC1 ZINC000823023658 628519761 /nfs/dbraw/zinc/51/97/61/628519761.db2.gz JFIGBCIXVVDSTI-CYBMUJFWSA-N 0 0 300.362 3.110 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCCCC2(F)F)cc1 ZINC000823243223 628541447 /nfs/dbraw/zinc/54/14/47/628541447.db2.gz UDAPGWFYRORENR-LLVKDONJSA-N 0 0 324.331 3.404 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2C[C@@H](C3CC3)[C@H]2C2CC2)cc1 ZINC000823376164 628554225 /nfs/dbraw/zinc/55/42/25/628554225.db2.gz CLIXIDGHEKAKMH-LSDHHAIUSA-N 0 0 312.373 3.110 20 10 DGCDRN CCn1cc(N(CC(C)C)C(=O)/C=C\c2ccc(C)nc2)cn1 ZINC000823430669 628561296 /nfs/dbraw/zinc/56/12/96/628561296.db2.gz RJMFAHFEVKXOEU-HJWRWDBZSA-N 0 0 312.417 3.309 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1[C@H](C)C[C@@H]1C ZINC000840481405 628583249 /nfs/dbraw/zinc/58/32/49/628583249.db2.gz DMBLHILGLPJQFH-KFWWJZLASA-N 0 0 303.450 3.184 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC=C(C)CC1 ZINC000840482054 628590692 /nfs/dbraw/zinc/59/06/92/628590692.db2.gz RPWHJHSVRGQHQO-MRXNPFEDSA-N 0 0 315.461 3.354 20 10 DGCDRN CCC[C@H](CC)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000823776138 628595715 /nfs/dbraw/zinc/59/57/15/628595715.db2.gz KVAHRPLWHOUILC-CVEARBPZSA-N 0 0 318.461 3.464 20 10 DGCDRN O=C(C[C@@H]1CC[C@@H](C2CC2)O1)NCc1cc(Cl)ccc1O ZINC000823985820 628616150 /nfs/dbraw/zinc/61/61/50/628616150.db2.gz CVOLQRFHTNLDIT-ZFWWWQNUSA-N 0 0 309.793 3.010 20 10 DGCDRN COc1cc(N(C)Cc2cc(F)ncc2F)cc(OC)c1OC ZINC000824131076 628629934 /nfs/dbraw/zinc/62/99/34/628629934.db2.gz NIYOSEWBDSWPDV-UHFFFAOYSA-N 0 0 324.327 3.022 20 10 DGCDRN CCc1nocc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000824261397 628645356 /nfs/dbraw/zinc/64/53/56/628645356.db2.gz CJFRCHVQYYYOKQ-UHFFFAOYSA-N 0 0 313.401 3.157 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)C3CCC=CCC3)C2)cc1 ZINC000824374500 628656271 /nfs/dbraw/zinc/65/62/71/628656271.db2.gz WUPGEGOCGMPZQL-MRXNPFEDSA-N 0 0 314.429 3.137 20 10 DGCDRN COC1(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCCC1 ZINC000824445596 628661321 /nfs/dbraw/zinc/66/13/21/628661321.db2.gz GPSXLPIQHSBUOK-UHFFFAOYSA-N 0 0 314.769 3.003 20 10 DGCDRN C[C@]1(CCNC(=O)c2ccc(N=NC(N)=O)cc2)CC1(F)F ZINC000824552217 628669974 /nfs/dbraw/zinc/66/99/74/628669974.db2.gz WHLNXWSXXKUKHS-ZDUSSCGKSA-N 0 0 310.304 3.014 20 10 DGCDRN CO[C@@H](C[NH2+]Cc1cccc(Cl)c1[O-])Cc1ccccc1 ZINC000824590194 628674401 /nfs/dbraw/zinc/67/44/01/628674401.db2.gz LXVOYTPXQPJRBO-OAHLLOKOSA-N 0 0 305.805 3.393 20 10 DGCDRN CC[C@@H](C)N(C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840488743 628676052 /nfs/dbraw/zinc/67/60/52/628676052.db2.gz NGSUBGYADBFRRE-HUUCEWRRSA-N 0 0 305.466 3.432 20 10 DGCDRN CC[C@H](C)N(C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840488742 628676061 /nfs/dbraw/zinc/67/60/61/628676061.db2.gz NGSUBGYADBFRRE-GJZGRUSLSA-N 0 0 305.466 3.432 20 10 DGCDRN CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000824636049 628679467 /nfs/dbraw/zinc/67/94/67/628679467.db2.gz LHGIMQRHMYQDEZ-NOZJJQNGSA-N 0 0 304.217 3.292 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H](C)CCCCO)c1 ZINC000824653841 628680488 /nfs/dbraw/zinc/68/04/88/628680488.db2.gz INFBNRJMUMAZKY-LLVKDONJSA-N 0 0 316.239 3.104 20 10 DGCDRN CN1CCCc2cc(CNC(=O)C3CC4(CC4(F)F)C3)ccc21 ZINC000824676866 628682687 /nfs/dbraw/zinc/68/26/87/628682687.db2.gz UKDCMJNONIXJEM-UHFFFAOYSA-N 0 0 320.383 3.121 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000824716376 628687198 /nfs/dbraw/zinc/68/71/98/628687198.db2.gz SZMAHFNHAMQRBC-CFVMTHIKSA-N 0 0 313.800 3.310 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000824723077 628687733 /nfs/dbraw/zinc/68/77/33/628687733.db2.gz ZYGCZFHAPFBVLG-KCPJHIHWSA-N 0 0 313.800 3.310 20 10 DGCDRN C[C@H]1CSCCN1Cc1ccc(Br)cc1O ZINC000824808967 628696103 /nfs/dbraw/zinc/69/61/03/628696103.db2.gz OKUHHBUBBARWOG-VIFPVBQESA-N 0 0 302.237 3.092 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000824845144 628699155 /nfs/dbraw/zinc/69/91/55/628699155.db2.gz IFLVDCFZXAGYFA-ZFWWWQNUSA-N 0 0 313.800 3.071 20 10 DGCDRN CCOCc1cc(CN[C@@H]2C[C@H](C)n3ccnc32)ccc1OC ZINC000825016716 628716339 /nfs/dbraw/zinc/71/63/39/628716339.db2.gz GOADLZWJXKLTIU-XJKSGUPXSA-N 0 0 315.417 3.224 20 10 DGCDRN CCOCc1cc(CN[C@H]2C[C@H](C)n3ccnc32)ccc1OC ZINC000825016713 628716783 /nfs/dbraw/zinc/71/67/83/628716783.db2.gz GOADLZWJXKLTIU-BBRMVZONSA-N 0 0 315.417 3.224 20 10 DGCDRN Cc1ccc(O)c(CN2CCOC[C@H]2c2ccc(F)cc2)c1 ZINC000825046363 628720626 /nfs/dbraw/zinc/72/06/26/628720626.db2.gz SIKDOSWWZSMERF-KRWDZBQOSA-N 0 0 301.361 3.413 20 10 DGCDRN COC[C@@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000825321684 628749301 /nfs/dbraw/zinc/74/93/01/628749301.db2.gz LBSLLDRNUZIRMO-LLVKDONJSA-N 0 0 301.789 3.433 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)/C=C(/C)c2cnccn2)cc1 ZINC000825327101 628749766 /nfs/dbraw/zinc/74/97/66/628749766.db2.gz RBUAWHIHEBIOCP-QINSGFPZSA-N 0 0 324.428 3.043 20 10 DGCDRN C[C@H]1CCN(Cc2ccc(Br)cc2O)C[C@H]1F ZINC000825440813 628761833 /nfs/dbraw/zinc/76/18/33/628761833.db2.gz LDOORQMCGDKLGI-JOYOIKCWSA-N 0 0 302.187 3.335 20 10 DGCDRN C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccc(N(C)C)cc1 ZINC000825473060 628764583 /nfs/dbraw/zinc/76/45/83/628764583.db2.gz MWGQGVINSSJJPT-JATKITJMSA-N 0 0 317.433 3.077 20 10 DGCDRN COc1ccc(N(C)Cc2cn(C3CCC3)nn2)cc1Cl ZINC000825469443 628764704 /nfs/dbraw/zinc/76/47/04/628764704.db2.gz YCDSLDUBEGVHBK-UHFFFAOYSA-N 0 0 306.797 3.302 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CC23CCSCC3)c1 ZINC000825736914 628793258 /nfs/dbraw/zinc/79/32/58/628793258.db2.gz NCEFORWLWJFYQC-RISCZKNCSA-N 0 0 321.442 3.111 20 10 DGCDRN CCOc1ccc(NC(=O)N(C)Cc2ccccc2O)nc1C ZINC000825892718 628807738 /nfs/dbraw/zinc/80/77/38/628807738.db2.gz HRALKJMUIMSUGT-UHFFFAOYSA-N 0 0 315.373 3.158 20 10 DGCDRN CCCc1cc(C(=O)NCc2c(O)ccc3c2CCCC3)no1 ZINC000826136778 628830826 /nfs/dbraw/zinc/83/08/26/628830826.db2.gz HGEGQJKNMMMCCW-UHFFFAOYSA-N 0 0 314.385 3.142 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](C)CC(F)F)c1 ZINC000827160175 628930441 /nfs/dbraw/zinc/93/04/41/628930441.db2.gz LWXLGIDEEOQJMY-VHSXEESVSA-N 0 0 316.348 3.052 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@]2(C)CCOc3ccccc32)c1 ZINC000827167132 628930864 /nfs/dbraw/zinc/93/08/64/628930864.db2.gz OEZZWDSHNNMVGK-LJQANCHMSA-N 0 0 311.381 3.057 20 10 DGCDRN COc1cc(Cl)cc(C[NH2+][C@H]2C[C@@H](O)c3ccccc32)c1O ZINC000827179389 628932753 /nfs/dbraw/zinc/93/27/53/628932753.db2.gz WLPYBWTVORZCEQ-LSDHHAIUSA-N 0 0 319.788 3.322 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NC[C@H]1CC2CCC1CC2 ZINC000827454848 628960890 /nfs/dbraw/zinc/96/08/90/628960890.db2.gz UORKYXVDWUINEO-ZBCRRDGASA-N 0 0 302.418 3.360 20 10 DGCDRN C/C(=C/C(=O)NCCCSc1nccs1)c1ccco1 ZINC000827475147 628962334 /nfs/dbraw/zinc/96/23/34/628962334.db2.gz TXVVKRPSEBOBPQ-KHPPLWFESA-N 0 0 308.428 3.438 20 10 DGCDRN CC(C)[C@H](O)[C@@H]([NH2+]Cc1cccc(F)c1[O-])c1ccccc1 ZINC000827526505 628968144 /nfs/dbraw/zinc/96/81/44/628968144.db2.gz MKTDYLXUPWSHIM-IRXDYDNUSA-N 0 0 303.377 3.379 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCC1SCCS1 ZINC000827668799 628981587 /nfs/dbraw/zinc/98/15/87/628981587.db2.gz QACQOVBBQUVQFA-UHFFFAOYSA-N 0 0 307.843 3.471 20 10 DGCDRN COc1cc(O)c(CNCC(F)(F)C(C)(C)C)cc1OC ZINC000827722531 628985575 /nfs/dbraw/zinc/98/55/75/628985575.db2.gz LWEHUZAZYUTJIF-UHFFFAOYSA-N 0 0 303.349 3.180 20 10 DGCDRN CCc1cccc(CN2CCO[C@@H](CC(F)(F)F)C2)c1O ZINC000827786052 628990954 /nfs/dbraw/zinc/99/09/54/628990954.db2.gz HAZSZINEFGGUJB-ZDUSSCGKSA-N 0 0 303.324 3.108 20 10 DGCDRN C[C@@H](O)[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccccc1 ZINC000827855457 628997684 /nfs/dbraw/zinc/99/76/84/628997684.db2.gz DIMBBWYAQSXKTH-HWPZZCPQSA-N 0 0 309.768 3.396 20 10 DGCDRN CCOc1ccc(N(C)Cc2nc(-c3cc(C)ccn3)no2)cc1 ZINC000827873527 628999324 /nfs/dbraw/zinc/99/93/24/628999324.db2.gz WWDIHIWTNDZZLG-UHFFFAOYSA-N 0 0 324.384 3.475 20 10 DGCDRN COc1cc(C(=O)N[C@H](C)c2ccccc2O)cc(OC)c1C ZINC000827923439 629003519 /nfs/dbraw/zinc/00/35/19/629003519.db2.gz PXHLMJGUVOOJSK-GFCCVEGCSA-N 0 0 315.369 3.209 20 10 DGCDRN Cc1cc(C)n([C@@H](C)CC(=O)N[C@H](C)c2ccccc2O)n1 ZINC000827930393 629004970 /nfs/dbraw/zinc/00/49/70/629004970.db2.gz JEBWVANKROJQFJ-UONOGXRCSA-N 0 0 301.390 3.034 20 10 DGCDRN C[C@@H](NC(=O)[C@H]1C[C@@]12CCc1ccccc12)c1ccccc1O ZINC000827936929 629005419 /nfs/dbraw/zinc/00/54/19/629005419.db2.gz GVJBVTJWEPYDJL-YXKFXFPPSA-N 0 0 307.393 3.474 20 10 DGCDRN C[C@@H](NC(=O)c1cc(COC(C)(C)C)on1)c1ccccc1O ZINC000827941735 629005888 /nfs/dbraw/zinc/00/58/88/629005888.db2.gz XMWRRGZRYBVOFA-LLVKDONJSA-N 0 0 318.373 3.186 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(NCC2CC2)nc1)c1ccccc1O ZINC000827946810 629006372 /nfs/dbraw/zinc/00/63/72/629006372.db2.gz SGFFUMRMIGDSFK-GFCCVEGCSA-N 0 0 311.385 3.100 20 10 DGCDRN C[C@@H](NC(=O)[C@H]1CCCN1c1ccccc1)c1ccccc1O ZINC000827946454 629006377 /nfs/dbraw/zinc/00/63/77/629006377.db2.gz IKGMAFDYQRZBKU-RHSMWYFYSA-N 0 0 310.397 3.238 20 10 DGCDRN C[C@H](CC(=O)N[C@@H](C)c1ccccc1O)N1CCc2ccccc21 ZINC000827960368 629008392 /nfs/dbraw/zinc/00/83/92/629008392.db2.gz OILSHOTUOWQUOF-CABCVRRESA-N 0 0 324.424 3.411 20 10 DGCDRN C[C@H](OCc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccccc1O ZINC000827964349 629008908 /nfs/dbraw/zinc/00/89/08/629008908.db2.gz LMWTWNAAXRZUNV-STQMWFEESA-N 0 0 317.360 3.314 20 10 DGCDRN C[C@H](NC(=O)[C@H]1CCCN1c1ccccc1)c1ccccc1O ZINC000827969147 629009459 /nfs/dbraw/zinc/00/94/59/629009459.db2.gz IKGMAFDYQRZBKU-WMLDXEAASA-N 0 0 310.397 3.238 20 10 DGCDRN CO[C@H](C)c1nc(C)c(C(=O)N[C@@H](C)c2ccccc2O)s1 ZINC000827972921 629009822 /nfs/dbraw/zinc/00/98/22/629009822.db2.gz DFNYRFOIMHYFCW-GXSJLCMTSA-N 0 0 320.414 3.356 20 10 DGCDRN Cc1c(C(=O)N[C@@H](C)c2ccccc2O)cnn1CC(C)C ZINC000827970176 629009847 /nfs/dbraw/zinc/00/98/47/629009847.db2.gz YTGOFJYHEPBPAB-LBPRGKRZSA-N 0 0 301.390 3.044 20 10 DGCDRN C[C@H](NC(=O)c1csc([C@@H]2CCCO2)n1)c1ccccc1O ZINC000827972872 629009981 /nfs/dbraw/zinc/00/99/81/629009981.db2.gz BSCFJCIGFQEXAD-HZMBPMFUSA-N 0 0 318.398 3.191 20 10 DGCDRN C[C@H](NC(=O)[C@H](C)N1CCc2ccccc2C1)c1ccccc1O ZINC000827978374 629010296 /nfs/dbraw/zinc/01/02/96/629010296.db2.gz RBSNOXPBGJAAMH-GJZGRUSLSA-N 0 0 324.424 3.016 20 10 DGCDRN C[C@H](NC(=O)CCc1ccc(N(C)C)cc1)c1ccccc1O ZINC000827982259 629010791 /nfs/dbraw/zinc/01/07/91/629010791.db2.gz QDQKGBXDAOTNQE-AWEZNQCLSA-N 0 0 312.413 3.268 20 10 DGCDRN COc1cccc(C2CCN(C(=O)Cc3ccc(N)cc3)CC2)c1 ZINC000828011495 629014027 /nfs/dbraw/zinc/01/40/27/629014027.db2.gz JEQMXXSJPDQUOF-UHFFFAOYSA-N 0 0 324.424 3.226 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000828014016 629014611 /nfs/dbraw/zinc/01/46/11/629014611.db2.gz QWVKTIILJZBHAL-UHFFFAOYSA-N 0 0 312.461 3.369 20 10 DGCDRN COc1cncc(/C=C/CCN(C)c2ccc3c(c2)OCO3)c1 ZINC000828098286 629022872 /nfs/dbraw/zinc/02/28/72/629022872.db2.gz KUJSFUJTUKFZTE-HWKANZROSA-N 0 0 312.369 3.359 20 10 DGCDRN CCn1nnc(C)c1CN(CC(C)C)c1ccc(OC)cc1 ZINC000828206488 629032884 /nfs/dbraw/zinc/03/28/84/629032884.db2.gz XFCPVGGMZXIGOT-UHFFFAOYSA-N 0 0 302.422 3.278 20 10 DGCDRN COC(=O)c1cnc(Sc2nc(C(C)C)ns2)s1 ZINC000828429471 629053290 /nfs/dbraw/zinc/05/32/90/629053290.db2.gz WQEYCGGRTRODAQ-UHFFFAOYSA-N 0 0 301.418 3.056 20 10 DGCDRN COc1ccc(N(C)C[C@H](O)[C@H](C)c2ccccc2)c(OC)c1 ZINC000828474177 629057926 /nfs/dbraw/zinc/05/79/26/629057926.db2.gz CQYXTHLVJSYKCE-KDOFPFPSSA-N 0 0 315.413 3.305 20 10 DGCDRN C[C@@H](NC(=O)[C@@]1(C)CCOc2ccccc21)c1ccccc1O ZINC000828539302 629064181 /nfs/dbraw/zinc/06/41/81/629064181.db2.gz KQCOOWXYILVIFD-YJYMSZOUSA-N 0 0 311.381 3.310 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCS[C@@H]1C ZINC000828541437 629064870 /nfs/dbraw/zinc/06/48/70/629064870.db2.gz IBOJLCDINJTQOZ-OCCSQVGLSA-N 0 0 308.447 3.208 20 10 DGCDRN COc1ccc(N(Cc2nc(C3CC3)nn2C)CC2CC2)cc1 ZINC000828592462 629072265 /nfs/dbraw/zinc/07/22/65/629072265.db2.gz HWVVJEUVXURYPW-UHFFFAOYSA-N 0 0 312.417 3.118 20 10 DGCDRN CC(C)CCc1noc(CN(C)c2ccc3c(c2)OCO3)n1 ZINC000121378723 629101065 /nfs/dbraw/zinc/10/10/65/629101065.db2.gz ZGXBLYPDQRLWGY-UHFFFAOYSA-N 0 0 303.362 3.023 20 10 DGCDRN CC[C@@H](CC(F)(F)F)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000828884363 629104817 /nfs/dbraw/zinc/10/48/17/629104817.db2.gz AIQREVDXKCPABK-ONGXEEELSA-N 0 0 319.323 3.124 20 10 DGCDRN CCc1cc(CCCSc2ncc(C(=O)OC)s2)on1 ZINC000829677810 629181429 /nfs/dbraw/zinc/18/14/29/629181429.db2.gz MOEWANTVRFSXCX-UHFFFAOYSA-N 0 0 312.416 3.205 20 10 DGCDRN COC(=O)c1cnc(SCc2ccccc2N(C)C)s1 ZINC000829680535 629182153 /nfs/dbraw/zinc/18/21/53/629182153.db2.gz ADDOKJSVPFTFEK-UHFFFAOYSA-N 0 0 308.428 3.288 20 10 DGCDRN CN(C)c1ccc(CN(C)S(=O)(=O)CCC2CCCC2)cc1 ZINC000829768463 629190215 /nfs/dbraw/zinc/19/02/15/629190215.db2.gz VYTLSXUJXOALIT-UHFFFAOYSA-N 0 0 324.490 3.095 20 10 DGCDRN C[C@H](NC(=O)/C=C/C1(C)CCOCC1)c1ccc(N(C)C)cc1 ZINC000829818692 629198282 /nfs/dbraw/zinc/19/82/82/629198282.db2.gz ZWWNEKGCCWBHLY-FEAKQIBJSA-N 0 0 316.445 3.303 20 10 DGCDRN Cc1cc(CC(=O)Nc2cnn(C)c2C)c(C)n1-c1ccccc1 ZINC000829999500 629216008 /nfs/dbraw/zinc/21/60/08/629216008.db2.gz HNACWTFITPQIFA-UHFFFAOYSA-N 0 0 322.412 3.317 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccnn1C(F)F ZINC000830141896 629229703 /nfs/dbraw/zinc/22/97/03/629229703.db2.gz ZXKRGGVSNSZHNL-UHFFFAOYSA-N 0 0 309.316 3.036 20 10 DGCDRN C[C@@H](CCCC(F)(F)F)NC(=O)c1c(F)ccc(O)c1O ZINC000830418655 629267500 /nfs/dbraw/zinc/26/75/00/629267500.db2.gz JLMONFQWTJSABE-ZETCQYMHSA-N 0 0 309.259 3.088 20 10 DGCDRN COCc1csc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000830540233 629281942 /nfs/dbraw/zinc/28/19/42/629281942.db2.gz HNJNRGYGRXFRQV-JTQLQIEISA-N 0 0 321.398 3.100 20 10 DGCDRN Cc1cc(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)nn1C ZINC000830852451 629311824 /nfs/dbraw/zinc/31/18/24/629311824.db2.gz MCPZSGQZRQYFTA-UHFFFAOYSA-N 0 0 322.412 3.317 20 10 DGCDRN COc1ccc(CNC(=O)/C(F)=C/C2CCCCC2)c(O)c1 ZINC000831038743 629333172 /nfs/dbraw/zinc/33/31/72/629333172.db2.gz OSUPCQSXVXVEJB-DHDCSXOGSA-N 0 0 307.365 3.451 20 10 DGCDRN Nc1ccc(CC(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000831133199 629342005 /nfs/dbraw/zinc/34/20/05/629342005.db2.gz SSSNOMDGOBHQKT-QWHCGFSZSA-N 0 0 314.351 3.296 20 10 DGCDRN Nc1ccc(CC(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000831447633 629378335 /nfs/dbraw/zinc/37/83/35/629378335.db2.gz AVFUNFGQJADSRN-APWZRJJASA-N 0 0 324.424 3.095 20 10 DGCDRN Cn1c2ccc(NC(=O)Cc3ccc(N)cc3)cc2nc1C1CC1 ZINC000831470862 629380648 /nfs/dbraw/zinc/38/06/48/629380648.db2.gz RARFWTIAFSNQTI-UHFFFAOYSA-N 0 0 320.396 3.214 20 10 DGCDRN COc1ccc(N(Cc2ncc(Cl)n2C)CC2CC2)cc1 ZINC000831582659 629393356 /nfs/dbraw/zinc/39/33/56/629393356.db2.gz BIUVKLZTSSINJC-UHFFFAOYSA-N 0 0 305.809 3.499 20 10 DGCDRN COc1ccc(N(CCO[C@@H]2CCCCO2)CC2CC2)cc1 ZINC000831588284 629394023 /nfs/dbraw/zinc/39/40/23/629394023.db2.gz WXWMEWNHEQJGQF-GOSISDBHSA-N 0 0 305.418 3.455 20 10 DGCDRN COc1ccc(N(Cc2nnc(C(C)C)[nH]2)CC2CC2)cc1 ZINC000831594804 629394538 /nfs/dbraw/zinc/39/45/38/629394538.db2.gz ZSQGKWNMMVFZAQ-UHFFFAOYSA-N 0 0 300.406 3.353 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCC(C2CC2)CC1 ZINC000831924972 629428456 /nfs/dbraw/zinc/42/84/56/629428456.db2.gz PWHIQIKKFZOFTB-UWTIGNOOSA-N 0 0 317.429 3.361 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC000831925180 629428523 /nfs/dbraw/zinc/42/85/23/629428523.db2.gz SKSBKYLXADFCDO-BPLDGKMQSA-N 0 0 317.429 3.361 20 10 DGCDRN Nc1ccc(CC(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)cc1 ZINC000831959924 629431226 /nfs/dbraw/zinc/43/12/26/629431226.db2.gz BZZWVNIDSXJYCJ-YJBOKZPZSA-N 0 0 312.388 3.403 20 10 DGCDRN Nc1ccc(CC(=O)N2CCC(c3ccsc3)CC2)cc1 ZINC000831975513 629432684 /nfs/dbraw/zinc/43/26/84/629432684.db2.gz OKIUBTUGOJCCDT-UHFFFAOYSA-N 0 0 300.427 3.279 20 10 DGCDRN CC(=O)N1CCC[C@@H]1c1noc(-c2ccc(-n3cccc3)cc2)n1 ZINC000867075931 629446810 /nfs/dbraw/zinc/44/68/10/629446810.db2.gz PZKAMYDHNRNYNN-MRXNPFEDSA-N 0 0 322.368 3.211 20 10 DGCDRN C[C@H](NC(=O)C1CC2(CC2(F)F)C1)c1ccc(N(C)C)cc1 ZINC000832436686 629479938 /nfs/dbraw/zinc/47/99/38/629479938.db2.gz NNHGDQXVUGSYMH-XOMBGVMMSA-N 0 0 308.372 3.365 20 10 DGCDRN Cc1cc(CC(=O)N2CCC(=O)[C@H](C)C2)c(C)n1-c1ccccc1 ZINC000832462081 629483711 /nfs/dbraw/zinc/48/37/11/629483711.db2.gz YDDOYRNYSXYVSR-CQSZACIVSA-N 0 0 324.424 3.074 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC[C@@H](C)CCO)cc1 ZINC000833224022 629572381 /nfs/dbraw/zinc/57/23/81/629572381.db2.gz ZIDWJVPWXJIDFF-CQSZACIVSA-N 0 0 314.429 3.233 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]Cc2ccoc2C(=O)[O-])cc1F ZINC000833654204 629636236 /nfs/dbraw/zinc/63/62/36/629636236.db2.gz GUWFSIUKHPIELI-UHFFFAOYSA-N 0 0 320.364 3.253 20 10 DGCDRN COc1cc(C)ccc1/C=C1/SC(N2CCCCC2)=NC1=O ZINC000834408987 629706543 /nfs/dbraw/zinc/70/65/43/629706543.db2.gz PIBSTADXZLWHNA-RVDMUPIBSA-N 0 0 316.426 3.460 20 10 DGCDRN Cc1cc(Cl)cc([C@H](C)NCc2nnc(C3CC3)[nH]2)c1O ZINC000834870874 629794225 /nfs/dbraw/zinc/79/42/25/629794225.db2.gz LFNYXRCBFAHYLI-VIFPVBQESA-N 0 0 306.797 3.200 20 10 DGCDRN CC[C@H]([NH2+]C(COC)COC)c1ccc(Cl)c(Cl)c1[O-] ZINC000834891100 629799169 /nfs/dbraw/zinc/79/91/69/629799169.db2.gz MXROXMVNTYDMOU-LBPRGKRZSA-N 0 0 322.232 3.401 20 10 DGCDRN Cc1ccc(O)c([C@@H](C)Nc2ccc(O[C@H]3CC(=O)N3)cc2)c1 ZINC000834895273 629799981 /nfs/dbraw/zinc/79/99/81/629799981.db2.gz HDMPSZSNQRJDFO-XIKOKIGWSA-N 0 0 312.369 3.099 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCOC(C)(C)C2)c1 ZINC000834913048 629807538 /nfs/dbraw/zinc/80/75/38/629807538.db2.gz YXQVEDUPUMRXLJ-CHWSQXEVSA-N 0 0 321.417 3.035 20 10 DGCDRN CN(C)c1ccc(/C=C\CN2CCOC[C@H]2CC(F)F)cc1 ZINC000835053544 629837381 /nfs/dbraw/zinc/83/73/81/629837381.db2.gz NWKVJINSAHYGNP-MJSXRHKHSA-N 0 0 310.388 3.122 20 10 DGCDRN CCn1cc(N2C(=O)/C(=C/c3ccc(C)o3)SC2=S)cn1 ZINC000101960244 629882258 /nfs/dbraw/zinc/88/22/58/629882258.db2.gz VTOJNQUJVOWGLX-SDQBBNPISA-N 0 0 319.411 3.210 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC23CCC(CC2)CC3)cc1 ZINC000836235731 630087949 /nfs/dbraw/zinc/08/79/49/630087949.db2.gz OGPUISVUTODUCV-UHFFFAOYSA-N 0 0 301.434 3.275 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC[C@@](C)(CC)OC)cc1 ZINC000836242445 630089120 /nfs/dbraw/zinc/08/91/20/630089120.db2.gz NKWSCGYSLNQGTR-GOSISDBHSA-N 0 0 321.465 3.147 20 10 DGCDRN COc1ccc2c(c1)C(=O)N(C)[C@@H](c1cccc(Cl)c1O)N2 ZINC000102417651 630103778 /nfs/dbraw/zinc/10/37/78/630103778.db2.gz BXKYXOYZBFXJMQ-HNNXBMFYSA-N 0 0 318.760 3.251 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)NCC[C@H](C)F)cc1 ZINC000836483737 630120648 /nfs/dbraw/zinc/12/06/48/630120648.db2.gz WAWJXMIXYPZPSX-AWEZNQCLSA-N 0 0 309.429 3.422 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)NCC[C@@H](C)F)cc1 ZINC000836483739 630120675 /nfs/dbraw/zinc/12/06/75/630120675.db2.gz WAWJXMIXYPZPSX-CQSZACIVSA-N 0 0 309.429 3.422 20 10 DGCDRN CCC[C@@H](NC(=O)NCc1ccc(OC)cc1O)C(C)(C)C ZINC000836577365 630136217 /nfs/dbraw/zinc/13/62/17/630136217.db2.gz WVBPAACFJCREFL-OAHLLOKOSA-N 0 0 308.422 3.415 20 10 DGCDRN CC(C)c1ncsc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000836742955 630158166 /nfs/dbraw/zinc/15/81/66/630158166.db2.gz UPALUZGVWUOEJY-UHFFFAOYSA-N 0 0 321.402 3.042 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@]1(C)CCCCO1 ZINC000837368242 630248710 /nfs/dbraw/zinc/24/87/10/630248710.db2.gz FUHADNZKDQRPFH-SFHVURJKSA-N 0 0 304.434 3.060 20 10 DGCDRN C[C@]1(C(=O)NCc2ccc(N3CCCCC3)cc2)CCCCO1 ZINC000837374403 630250029 /nfs/dbraw/zinc/25/00/29/630250029.db2.gz VZWPYEKWAXSVQI-LJQANCHMSA-N 0 0 316.445 3.252 20 10 DGCDRN C[C@H](CC(F)(F)F)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000837377054 630250049 /nfs/dbraw/zinc/25/00/49/630250049.db2.gz HTZLRUWKPVDDQX-LLVKDONJSA-N 0 0 314.351 3.274 20 10 DGCDRN C[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)C1CCCCC1 ZINC000837589233 630280645 /nfs/dbraw/zinc/28/06/45/630280645.db2.gz XLXPFYSAEMZASM-CUZBXDDWSA-N 0 0 318.369 3.192 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2C2CCC2)cc1F ZINC000102905181 630307391 /nfs/dbraw/zinc/30/73/91/630307391.db2.gz UXYUPBWCWLQMFW-MRXNPFEDSA-N 0 0 319.424 3.366 20 10 DGCDRN CCN(CC)c1ccc(CNC(=S)NC2(C)CCC2)cc1 ZINC000840718091 630351926 /nfs/dbraw/zinc/35/19/26/630351926.db2.gz WLTHGGRSIKDCHN-UHFFFAOYSA-N 0 0 305.491 3.440 20 10 DGCDRN COCC1CCC([NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000840874741 630370016 /nfs/dbraw/zinc/37/00/16/630370016.db2.gz CVXZHCIUQSHWIQ-DNOWBOINSA-N 0 0 321.417 3.035 20 10 DGCDRN COCC1CCC([NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000840874742 630370272 /nfs/dbraw/zinc/37/02/72/630370272.db2.gz CVXZHCIUQSHWIQ-OPFPJEHXSA-N 0 0 321.417 3.035 20 10 DGCDRN Cc1nn(C)c2ncc(NCc3ccc(N(C)C)cc3C)cc12 ZINC000840882371 630371803 /nfs/dbraw/zinc/37/18/03/630371803.db2.gz OYFFIVWGXKMABZ-UHFFFAOYSA-N 0 0 309.417 3.263 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ccn(CC(F)(F)F)n1 ZINC000840937439 630380664 /nfs/dbraw/zinc/38/06/64/630380664.db2.gz SYJQAQVMLNXUIY-UHFFFAOYSA-N 0 0 312.339 3.432 20 10 DGCDRN C[C@H]([NH2+]Cc1cccc(Br)c1[O-])[C@@H]1CC1(F)F ZINC000840967874 630388328 /nfs/dbraw/zinc/38/83/28/630388328.db2.gz KNGVXQUYWXSXBA-CBAPKCEASA-N 0 0 306.150 3.288 20 10 DGCDRN CN(C)c1ccc(/C=C\CNc2cccc3c2CCNC3=O)cc1 ZINC000840973924 630389391 /nfs/dbraw/zinc/38/93/91/630389391.db2.gz RUIFGLCFVLBSTP-PLNGDYQASA-N 0 0 321.424 3.164 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000841085714 630405993 /nfs/dbraw/zinc/40/59/93/630405993.db2.gz BJIFPAYFKQCFMY-FZMZJTMJSA-N 0 0 312.816 3.149 20 10 DGCDRN CN1CCCc2cc(NC(=O)NCCc3ccc(N)cc3)ccc21 ZINC000841083459 630406160 /nfs/dbraw/zinc/40/61/60/630406160.db2.gz QHJSMNWFSAARSP-UHFFFAOYSA-N 0 0 324.428 3.015 20 10 DGCDRN C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(N)cc1 ZINC000841296606 630424056 /nfs/dbraw/zinc/42/40/56/630424056.db2.gz WFOWTSCGVAMELE-BXKDBHETSA-N 0 0 301.312 3.464 20 10 DGCDRN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)Nc1ccc(N)cc1 ZINC000841297303 630424540 /nfs/dbraw/zinc/42/45/40/630424540.db2.gz DTVWDEPBKNOUMZ-PXAZEXFGSA-N 0 0 311.385 3.125 20 10 DGCDRN CC[C@@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc(N)cc1 ZINC000841297201 630424657 /nfs/dbraw/zinc/42/46/57/630424657.db2.gz CEZTXERISNEDMN-QGZVFWFLSA-N 0 0 313.401 3.074 20 10 DGCDRN COc1ccc(CC[C@H](C)NC(=O)Nc2ccc(N)cc2)cc1 ZINC000841301189 630424945 /nfs/dbraw/zinc/42/49/45/630424945.db2.gz FIXAFACIEAMAMD-ZDUSSCGKSA-N 0 0 313.401 3.420 20 10 DGCDRN CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)Nc1ccc(N)cc1 ZINC000841299856 630424998 /nfs/dbraw/zinc/42/49/98/630424998.db2.gz IYCLLCMDJORMSC-WFASDCNBSA-N 0 0 305.422 3.232 20 10 DGCDRN CN(C(=O)Nc1ccc(N)cc1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000841299401 630425076 /nfs/dbraw/zinc/42/50/76/630425076.db2.gz CEWOLECUMOHLPG-GOSISDBHSA-N 0 0 324.428 3.402 20 10 DGCDRN C[C@]1(c2ccccc2)CN(C(=O)Nc2ccc(N)cc2)CCO1 ZINC000841300866 630425095 /nfs/dbraw/zinc/42/50/95/630425095.db2.gz UZFHUNZKVVRTPQ-GOSISDBHSA-N 0 0 311.385 3.048 20 10 DGCDRN CCN(CC)C(=O)CCC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841743720 630461200 /nfs/dbraw/zinc/46/12/00/630461200.db2.gz BXVMOUWPITUZFV-GFCCVEGCSA-N 0 0 312.841 3.345 20 10 DGCDRN C[C@H]([NH2+]CCCN1CCCCCC1=O)c1ccc(Cl)cc1[O-] ZINC000841745348 630461257 /nfs/dbraw/zinc/46/12/57/630461257.db2.gz YFBPPCCGYFLABJ-ZDUSSCGKSA-N 0 0 324.852 3.489 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccc(Cl)cc1[O-] ZINC000841765071 630463251 /nfs/dbraw/zinc/46/32/51/630463251.db2.gz UPTNFXOHLFGIGP-SGMGOOAPSA-N 0 0 324.852 3.343 20 10 DGCDRN C[C@H](CCNC(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC000841773085 630464356 /nfs/dbraw/zinc/46/43/56/630464356.db2.gz VSDWUXQHXDJDSQ-OAHLLOKOSA-N 0 0 311.429 3.304 20 10 DGCDRN CCCC[C@H]1CCC[C@@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841786057 630464715 /nfs/dbraw/zinc/46/47/15/630464715.db2.gz NIPXRYCCODVFGV-RDJZCZTQSA-N 0 0 303.450 3.469 20 10 DGCDRN CC(C)[C@H]1CCC[C@@H](NC(=O)NCCc2ccc(N)cc2)C1 ZINC000841788206 630465142 /nfs/dbraw/zinc/46/51/42/630465142.db2.gz DPELOVWKVPZHPZ-DOTOQJQBSA-N 0 0 303.450 3.325 20 10 DGCDRN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841809511 630466754 /nfs/dbraw/zinc/46/67/54/630466754.db2.gz ZWYZSNVEYIFMKA-ACJLOTCBSA-N 0 0 309.413 3.044 20 10 DGCDRN Nc1ccc(CCNC(=O)N[C@H](Cc2ccccc2)C2CC2)cc1 ZINC000841829571 630470125 /nfs/dbraw/zinc/47/01/25/630470125.db2.gz RABDMQLUENECAE-LJQANCHMSA-N 0 0 323.440 3.132 20 10 DGCDRN C[C@H](NC(=O)NCCc1ccc(N)cc1)[C@@H]1CCC[C@@H](C)C1 ZINC000841915618 630475199 /nfs/dbraw/zinc/47/51/99/630475199.db2.gz SDFCDFGBZSCGFY-IJEWVQPXSA-N 0 0 303.450 3.325 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CCCc3ccccc3CC2)cc1 ZINC000841955881 630476857 /nfs/dbraw/zinc/47/68/57/630476857.db2.gz QKNZURDKCNHBGX-UHFFFAOYSA-N 0 0 323.440 3.012 20 10 DGCDRN CN(CCC1CCCCC1)C(=O)NCCc1ccc(N)cc1 ZINC000841957233 630477001 /nfs/dbraw/zinc/47/70/01/630477001.db2.gz PSGONAUTWFRJCP-UHFFFAOYSA-N 0 0 303.450 3.423 20 10 DGCDRN CN(C(=O)NCCc1ccc(N)cc1)[C@H]1CCc2ccccc21 ZINC000841962005 630477168 /nfs/dbraw/zinc/47/71/68/630477168.db2.gz KEKIFKZWAUPBGD-SFHVURJKSA-N 0 0 309.413 3.140 20 10 DGCDRN CC1(C)CN(C(=O)NCCc2ccc(N)cc2)Cc2ccccc21 ZINC000841960453 630477171 /nfs/dbraw/zinc/47/71/71/630477171.db2.gz QXKFTRUJVJBFSE-UHFFFAOYSA-N 0 0 323.440 3.314 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CCC[C@H]2c2ccsc2)cc1 ZINC000841963345 630477244 /nfs/dbraw/zinc/47/72/44/630477244.db2.gz ZEMRURSGGKVJRP-INIZCTEOSA-N 0 0 315.442 3.420 20 10 DGCDRN CCN(Cc1ccccc1C)C(=O)NCCc1ccc(N)cc1 ZINC000841961663 630477292 /nfs/dbraw/zinc/47/72/92/630477292.db2.gz GMIMTBSDZQWCLY-UHFFFAOYSA-N 0 0 311.429 3.351 20 10 DGCDRN CCS(=O)(=O)c1ccc(COc2ccc(N(C)C)cc2)cc1 ZINC000842043827 630481771 /nfs/dbraw/zinc/48/17/71/630481771.db2.gz ONMOUWMOULOCRT-UHFFFAOYSA-N 0 0 319.426 3.125 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](CN)C2CCCCC2)c1[O-] ZINC000842475785 630539629 /nfs/dbraw/zinc/53/96/29/630539629.db2.gz CMLKUYGDTOBPEQ-INIZCTEOSA-N 0 0 324.852 3.245 20 10 DGCDRN Cc1ccc(-c2nn(C)cc2C[NH2+]Cc2ccc3c(c2)CCO3)o1 ZINC000842673487 630561612 /nfs/dbraw/zinc/56/16/12/630561612.db2.gz NENNAJAHZMQUEW-UHFFFAOYSA-N 0 0 323.396 3.213 20 10 DGCDRN CCN(CC)c1ccc(CNc2ccc3c(c2)nnn3C)cc1 ZINC000842741221 630570002 /nfs/dbraw/zinc/57/00/02/630570002.db2.gz VUVMHRZILQEBPX-UHFFFAOYSA-N 0 0 309.417 3.427 20 10 DGCDRN CCOc1ccc(CN[C@@H](CC)C(=O)OC(C)(C)C)c(O)c1 ZINC000842772377 630574477 /nfs/dbraw/zinc/57/44/77/630574477.db2.gz XWXCDWJPTKZTEK-AWEZNQCLSA-N 0 0 309.406 3.001 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)C3(F)CCCC3)C2)cc1 ZINC000842875426 630587975 /nfs/dbraw/zinc/58/79/75/630587975.db2.gz LYZWWXQAUOYCRE-AWEZNQCLSA-N 0 0 321.392 3.347 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)C(F)=C3CCC3)C2)cc1 ZINC000842874134 630588157 /nfs/dbraw/zinc/58/81/57/630588157.db2.gz KPGRYEKZFOMPHX-ZDUSSCGKSA-N 0 0 319.376 3.472 20 10 DGCDRN CC[C@@H](C)Oc1cc(-c2nc(Cc3ccc(N)cc3)no2)ccn1 ZINC000843158636 630623031 /nfs/dbraw/zinc/62/30/31/630623031.db2.gz FAMXYTXQKWXPEN-GFCCVEGCSA-N 0 0 324.384 3.482 20 10 DGCDRN Nc1ccc(Cc2noc(Cc3ccc4c(c3)CCCO4)n2)cc1 ZINC000843160033 630623321 /nfs/dbraw/zinc/62/33/21/630623321.db2.gz FFMLRIZYFHNVBI-UHFFFAOYSA-N 0 0 321.380 3.158 20 10 DGCDRN COc1ccc(N(C)Cc2ccnn2CC(C)C)cc1OC ZINC000843403378 630652620 /nfs/dbraw/zinc/65/26/20/630652620.db2.gz DETSTGDWAKYRLQ-UHFFFAOYSA-N 0 0 303.406 3.193 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(N)cc1 ZINC000843484975 630661967 /nfs/dbraw/zinc/66/19/67/630661967.db2.gz FWPXMZGJAAZNLH-UHFFFAOYSA-N 0 0 311.429 3.386 20 10 DGCDRN Cc1cc(CCNC(=O)C2(F)CC2)c(C)n1-c1ccccc1 ZINC000843758098 630698256 /nfs/dbraw/zinc/69/82/56/630698256.db2.gz ISQDBCKZIMMEIM-UHFFFAOYSA-N 0 0 300.377 3.255 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1cnn2ccccc12 ZINC000843820287 630701576 /nfs/dbraw/zinc/70/15/76/630701576.db2.gz QKDWHOOSHRQHKF-UHFFFAOYSA-N 0 0 323.396 3.021 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccnn1CC(C)C ZINC000843819415 630701600 /nfs/dbraw/zinc/70/16/00/630701600.db2.gz CGILJHMVJXFYOH-UHFFFAOYSA-N 0 0 315.417 3.297 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@@H]2CCCC[C@@H]2C2CC2)c1 ZINC000843830282 630701727 /nfs/dbraw/zinc/70/17/27/630701727.db2.gz FMHPWJSQZSOETN-HZPDHXFCSA-N 0 0 303.402 3.233 20 10 DGCDRN COc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C2CC2)c(O)c1 ZINC000843874434 630702339 /nfs/dbraw/zinc/70/23/39/630702339.db2.gz KKEDGRZGHNPHIC-JKSUJKDBSA-N 0 0 303.402 3.233 20 10 DGCDRN O=C(/C=C/c1cncc(F)c1)N1CCCc2cccc(F)c21 ZINC000105366937 630703998 /nfs/dbraw/zinc/70/39/98/630703998.db2.gz QVPVSWKAMFCPIT-VOTSOKGWSA-N 0 0 300.308 3.352 20 10 DGCDRN COc1ccc(N(C)C[C@H]2CCN(C(=O)c3ccccc3)C2)cc1 ZINC000844355743 630720707 /nfs/dbraw/zinc/72/07/07/630720707.db2.gz SBYGWMPOQZRVGU-MRXNPFEDSA-N 0 0 324.424 3.294 20 10 DGCDRN CCC[C@@H](C)[C@H](CO)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000844378701 630722924 /nfs/dbraw/zinc/72/29/24/630722924.db2.gz LUZQAJNOBXRZQM-BMIGLBTASA-N 0 0 313.825 3.135 20 10 DGCDRN CCc1nc(CN(C)CCN(C)c2ccc(OC)cc2)cs1 ZINC000844399159 630724620 /nfs/dbraw/zinc/72/46/20/630724620.db2.gz HPKKXAAQVWXJPB-UHFFFAOYSA-N 0 0 319.474 3.282 20 10 DGCDRN COc1ccc(N(C)CCN(C)Cc2nc(C)c(C)s2)cc1 ZINC000844401181 630724817 /nfs/dbraw/zinc/72/48/17/630724817.db2.gz KUNQNGZCFDNEAG-UHFFFAOYSA-N 0 0 319.474 3.337 20 10 DGCDRN C/C(=C/C(=O)N(CC(C)C)c1ccc(F)cn1)c1cnccn1 ZINC000844640655 630746299 /nfs/dbraw/zinc/74/62/99/630746299.db2.gz FXQSJNUZOKYBHK-JYRVWZFOSA-N 0 0 314.364 3.103 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)N[C@H](C1CC1)C(F)(F)F ZINC000844661981 630762620 /nfs/dbraw/zinc/76/26/20/630762620.db2.gz CNENVVGDDLJPSC-LLVKDONJSA-N 0 0 322.714 3.186 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)C2CC3(CCC3)C2)cc1 ZINC000844856680 630945453 /nfs/dbraw/zinc/94/54/53/630945453.db2.gz MICYYUVALSXFFG-UHFFFAOYSA-N 0 0 316.445 3.170 20 10 DGCDRN COc1cccc(CNC(=O)Cc2c[nH]c3cccc(C)c23)c1O ZINC000105650305 630950421 /nfs/dbraw/zinc/95/04/21/630950421.db2.gz KTSWKWLBWYCNGO-UHFFFAOYSA-N 0 0 324.380 3.049 20 10 DGCDRN COC[C@@H](C)Cc1noc(-c2ccc(-n3cccc3)c(F)c2)n1 ZINC000844880702 630960889 /nfs/dbraw/zinc/96/08/89/630960889.db2.gz LZMOUOODVKILIR-LBPRGKRZSA-N 0 0 315.348 3.491 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N3CCC34CCCC4)ccc21 ZINC000844936372 630992088 /nfs/dbraw/zinc/99/20/88/630992088.db2.gz XSSAFSBIFPMNEO-UHFFFAOYSA-N 0 0 313.445 3.297 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H]2CC(C)(C)C)c1 ZINC000844973615 631017413 /nfs/dbraw/zinc/01/74/13/631017413.db2.gz LAUMPHONARIBMG-SMDDNHRTSA-N 0 0 306.406 3.025 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC1(C2CCC2)CC1 ZINC000845004299 631030421 /nfs/dbraw/zinc/03/04/21/631030421.db2.gz YPCVAQOQRAXSAI-UHFFFAOYSA-N 0 0 311.429 3.195 20 10 DGCDRN CCSCC[C@H](C)NC(=O)NCc1cc(Cl)ccc1O ZINC000845019055 631038999 /nfs/dbraw/zinc/03/89/99/631038999.db2.gz HYNKLHZBRUDMIP-JTQLQIEISA-N 0 0 316.854 3.377 20 10 DGCDRN CC(C)CSCCNC(=O)NCc1cc(Cl)ccc1O ZINC000845077404 631067422 /nfs/dbraw/zinc/06/74/22/631067422.db2.gz KJQWVIKHTFKDEJ-UHFFFAOYSA-N 0 0 316.854 3.234 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCCC1(F)F ZINC000845197919 631131417 /nfs/dbraw/zinc/13/14/17/631131417.db2.gz RYDPRPFMILVRMV-LLVKDONJSA-N 0 0 304.724 3.033 20 10 DGCDRN CC(C)(C)OC(=O)N1CCCCN1Cc1cccc(F)c1O ZINC000846069818 631209126 /nfs/dbraw/zinc/20/91/26/631209126.db2.gz NUJRRJFFRUYJLF-UHFFFAOYSA-N 0 0 310.369 3.279 20 10 DGCDRN COc1cc(Cl)cc(CN2C[C@H](C)OCC23CCC3)c1O ZINC000846067664 631209138 /nfs/dbraw/zinc/20/91/38/631209138.db2.gz VWYFLEMEYYINRT-NSHDSACASA-N 0 0 311.809 3.198 20 10 DGCDRN C[C@@H]([NH2+]C[C@@]1(CO)CCc2ccccc21)c1ccc(F)cc1[O-] ZINC000846177314 631213461 /nfs/dbraw/zinc/21/34/61/631213461.db2.gz AAKDTNCQUSDXOZ-BFUOFWGJSA-N 0 0 315.388 3.058 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)[C@@](C)(O)c1ccccc1)c1ccc(F)cc1[O-] ZINC000846186136 631214105 /nfs/dbraw/zinc/21/41/05/631214105.db2.gz DSIJUMRTTBUIIL-ZJNRKIDTSA-N 0 0 303.377 3.478 20 10 DGCDRN CC[C@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1cccc(Cl)c1[O-] ZINC000846206269 631214744 /nfs/dbraw/zinc/21/47/44/631214744.db2.gz OYXNBHSREYCYJM-ABAIWWIYSA-N 0 0 322.836 3.097 20 10 DGCDRN Cc1cc(C[N@@H+]2CCCC[C@H]2C(=O)[O-])ccc1N1CCCCC1 ZINC000846225673 631215741 /nfs/dbraw/zinc/21/57/41/631215741.db2.gz QFAWFAVSVRHOFS-SFHVURJKSA-N 0 0 316.445 3.424 20 10 DGCDRN Cc1nn(C(C)(C)C)cc1C(=O)NCc1cc(Cl)ccc1O ZINC000846473928 631249480 /nfs/dbraw/zinc/24/94/80/631249480.db2.gz OLXHNMCZLRFPER-UHFFFAOYSA-N 0 0 321.808 3.236 20 10 DGCDRN C[C@H]1C(=O)CC[C@H](C(=O)NCc2cc(Cl)ccc2O)C1(C)C ZINC000846474164 631249541 /nfs/dbraw/zinc/24/95/41/631249541.db2.gz RREGISBYVHWQJY-GXFFZTMASA-N 0 0 323.820 3.303 20 10 DGCDRN CC(C)Nc1ccc(C(=O)NCc2cc(Cl)ccc2O)cn1 ZINC000846474321 631249704 /nfs/dbraw/zinc/24/97/04/631249704.db2.gz UPLIXWIYZURLKL-UHFFFAOYSA-N 0 0 319.792 3.191 20 10 DGCDRN CC[C@@H](C)n1ncc(C(=O)NCc2cc(Cl)ccc2O)c1C ZINC000846474010 631249816 /nfs/dbraw/zinc/24/98/16/631249816.db2.gz QDBKOAMHBDJFKN-SNVBAGLBSA-N 0 0 321.808 3.452 20 10 DGCDRN O=C(CCCC1CCOCC1)NCc1cc(Cl)ccc1O ZINC000846472624 631249884 /nfs/dbraw/zinc/24/98/84/631249884.db2.gz CFFMZULRABSKHL-UHFFFAOYSA-N 0 0 311.809 3.259 20 10 DGCDRN Cn1nc(C(C)(C)C)cc1C(=O)NCc1cc(Cl)ccc1O ZINC000846474096 631249889 /nfs/dbraw/zinc/24/98/89/631249889.db2.gz YYQWEXUNHBBKOQ-UHFFFAOYSA-N 0 0 321.808 3.007 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1CCCc2cccnc21 ZINC000846474694 631250556 /nfs/dbraw/zinc/25/05/56/631250556.db2.gz ZSIQJWWLCWFDOX-AWEZNQCLSA-N 0 0 316.788 3.177 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCc2ccccc2C1 ZINC000846475227 631250671 /nfs/dbraw/zinc/25/06/71/631250671.db2.gz AGPZOVKZLIGRAC-CQSZACIVSA-N 0 0 315.800 3.467 20 10 DGCDRN CC(=O)[C@H](C)CCCCC(=O)NCc1cc(Cl)ccc1O ZINC000846477923 631251388 /nfs/dbraw/zinc/25/13/88/631251388.db2.gz XRLNMLLJCWFYFB-LLVKDONJSA-N 0 0 311.809 3.447 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1ccn(C2CCCC2)n1 ZINC000846477364 631251459 /nfs/dbraw/zinc/25/14/59/631251459.db2.gz SINGUHILFMXILG-UHFFFAOYSA-N 0 0 319.792 3.287 20 10 DGCDRN Cc1cccc2c(CCC(=O)NCCc3ccc(N)cc3)c[nH]c21 ZINC000846665476 631282289 /nfs/dbraw/zinc/28/22/89/631282289.db2.gz KUIMJCIVQPQXTB-UHFFFAOYSA-N 0 0 321.424 3.350 20 10 DGCDRN CC(=O)c1cc(CN(Cc2ccc(N(C)C)cc2)C(C)C)on1 ZINC000846776242 631301920 /nfs/dbraw/zinc/30/19/20/631301920.db2.gz NIMFEBYFZMOHAL-UHFFFAOYSA-N 0 0 315.417 3.354 20 10 DGCDRN C/C(=C\c1ccccn1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000846976992 631372022 /nfs/dbraw/zinc/37/20/22/631372022.db2.gz HWTCSSXUOPIGMD-SZGUKTLCSA-N 0 0 309.413 3.428 20 10 DGCDRN CN(CCOC[C@H]1CCCO1)c1ccc(-c2nccs2)cc1 ZINC000846992717 631375590 /nfs/dbraw/zinc/37/55/90/631375590.db2.gz LZGIFQMQZMKSBG-MRXNPFEDSA-N 0 0 318.442 3.442 20 10 DGCDRN CCn1nnc(C)c1CN(C)c1ccc(-c2nccs2)cc1 ZINC000846992056 631376101 /nfs/dbraw/zinc/37/61/01/631376101.db2.gz IONPIGKBNVXEHH-UHFFFAOYSA-N 0 0 313.430 3.366 20 10 DGCDRN CC(C)CNC(=O)CN(C)c1ccc(-c2nccs2)cc1 ZINC000846995311 631377254 /nfs/dbraw/zinc/37/72/54/631377254.db2.gz ZODJHNQSTZSDQJ-UHFFFAOYSA-N 0 0 303.431 3.019 20 10 DGCDRN CN(C[C@@H]1CCNC(=O)CC1)c1ccc(-c2nccs2)cc1 ZINC000846997743 631377694 /nfs/dbraw/zinc/37/76/94/631377694.db2.gz YFVQFGSKEMXMNW-ZDUSSCGKSA-N 0 0 315.442 3.163 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[N@H+](C)CC2CCOCC2)c1[O-] ZINC000107064855 631518045 /nfs/dbraw/zinc/51/80/45/631518045.db2.gz FTMQGYQPIYWSAS-UHFFFAOYSA-N 0 0 311.809 3.107 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@](C)(CO)OC)c1cc(Cl)cc(Cl)c1[O-] ZINC000848556400 631690318 /nfs/dbraw/zinc/69/03/18/631690318.db2.gz WRULUBMYRATZON-OCCSQVGLSA-N 0 0 322.232 3.137 20 10 DGCDRN COC[C@@H](CC(C)(C)C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000848564916 631694946 /nfs/dbraw/zinc/69/49/46/631694946.db2.gz RWVJVUIAJQLREW-NWDGAFQWSA-N 0 0 310.394 3.402 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000848570264 631698336 /nfs/dbraw/zinc/69/83/36/631698336.db2.gz JSWJMTUUYVJOOT-OCCSQVGLSA-N 0 0 320.389 3.443 20 10 DGCDRN FC(F)(F)[C@@H](C[C@H]1CCCO1)NCc1ccc2c(c1)CCO2 ZINC000848573856 631699827 /nfs/dbraw/zinc/69/98/27/631699827.db2.gz KLEPEIODGUBHMR-UKRRQHHQSA-N 0 0 315.335 3.211 20 10 DGCDRN CCc1cccc(CN2C[C@H](C)O[C@H](C(F)(F)F)C2)c1O ZINC000848888110 631773383 /nfs/dbraw/zinc/77/33/83/631773383.db2.gz MFWUULZCCXDRKK-GWCFXTLKSA-N 0 0 303.324 3.106 20 10 DGCDRN CCc1cccc(CNc2cccc(-c3nnnn3CC)c2)c1O ZINC000848891705 631774484 /nfs/dbraw/zinc/77/44/84/631774484.db2.gz YKTUKGYPIKHTMB-UHFFFAOYSA-N 0 0 323.400 3.240 20 10 DGCDRN CCc1cccc(CNC2(c3noc(C)n3)CCCC2)c1O ZINC000848895705 631776553 /nfs/dbraw/zinc/77/65/53/631776553.db2.gz WHAHSHYZGAHFQP-UHFFFAOYSA-N 0 0 301.390 3.205 20 10 DGCDRN CCc1cccc(CNc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1O ZINC000848895406 631776594 /nfs/dbraw/zinc/77/65/94/631776594.db2.gz UFGYCWDYRKYTLQ-LLVKDONJSA-N 0 0 312.369 3.286 20 10 DGCDRN CCc1cccc(CN2CCCC[C@H]2c2nc(C)no2)c1O ZINC000848911826 631783918 /nfs/dbraw/zinc/78/39/18/631783918.db2.gz ZSDPGNJORTYQCM-HNNXBMFYSA-N 0 0 301.390 3.373 20 10 DGCDRN CCc1cccc(CNc2ccc(C(=O)N(C)OC)cc2)c1O ZINC000848919867 631787552 /nfs/dbraw/zinc/78/75/52/631787552.db2.gz UECYOSJVUUWZJN-UHFFFAOYSA-N 0 0 314.385 3.200 20 10 DGCDRN CCOc1ccc(C[N@@H+]2CCC[C@H](OC3CCC3)C2)c(O)c1 ZINC000848924974 631789492 /nfs/dbraw/zinc/78/94/92/631789492.db2.gz JFGUJHPQPSLOTN-KRWDZBQOSA-N 0 0 305.418 3.324 20 10 DGCDRN CN(C)c1ccc(CN(C(=S)NCC2CC2)C2CC2)cc1 ZINC000849255021 631868687 /nfs/dbraw/zinc/86/86/87/631868687.db2.gz TZFMTTMPHODIKW-UHFFFAOYSA-N 0 0 303.475 3.002 20 10 DGCDRN CCc1ccc(NC(=S)NCc2nccc(OC)c2F)cc1 ZINC000849296485 631882843 /nfs/dbraw/zinc/88/28/43/631882843.db2.gz HALFRLDIJHVMNY-UHFFFAOYSA-N 0 0 319.405 3.278 20 10 DGCDRN CC[C@@H](COC(=O)/C=C\c1ccc(O)c(O)c1)CC(F)F ZINC000849744677 631956780 /nfs/dbraw/zinc/95/67/80/631956780.db2.gz FSQAQRKOBZIMHL-AYYIZTPMSA-N 0 0 300.301 3.336 20 10 DGCDRN O=C1N[C@@H]2CCCC[C@H]2C[C@@H]1Sc1ncc(Cl)s1 ZINC000850002132 632025388 /nfs/dbraw/zinc/02/53/88/632025388.db2.gz UIRLCKUTYRVUBP-YIZRAAEISA-N 0 0 302.852 3.336 20 10 DGCDRN CN(C)c1ccc(CNC(=S)Nc2ccc(F)cc2)cc1 ZINC000007371522 632118951 /nfs/dbraw/zinc/11/89/51/632118951.db2.gz AMVJBONMMCRZSY-UHFFFAOYSA-N 0 0 303.406 3.378 20 10 DGCDRN CN(C)c1ccc(/C=C\CNc2ccc3c(c2)CCNC3=O)cc1 ZINC000850346108 632120307 /nfs/dbraw/zinc/12/03/07/632120307.db2.gz BEPDETXYAIWVIX-ARJAWSKDSA-N 0 0 321.424 3.164 20 10 DGCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])c2ncnn21 ZINC000850352281 632122860 /nfs/dbraw/zinc/12/28/60/632122860.db2.gz QYXZYWBWEHEYAH-RDDDGLTNSA-N 0 0 313.188 3.086 20 10 DGCDRN C[C@@H]1CCC[C@H](C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])O1 ZINC000850379800 632133189 /nfs/dbraw/zinc/13/31/89/632133189.db2.gz YFRFNKYCFXIVRL-BXKDBHETSA-N 0 0 314.769 3.001 20 10 DGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]CCCc2ccco2)c1[O-] ZINC000850407470 632142617 /nfs/dbraw/zinc/14/26/17/632142617.db2.gz JLGORVUNCWNJGC-UHFFFAOYSA-N 0 0 310.737 3.269 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1nccn1C ZINC000850409630 632143357 /nfs/dbraw/zinc/14/33/57/632143357.db2.gz DUXDSXXAWSRALV-QMMMGPOBSA-N 0 0 300.189 3.283 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1nccn1C ZINC000850409629 632143420 /nfs/dbraw/zinc/14/34/20/632143420.db2.gz DUXDSXXAWSRALV-MRVPVSSYSA-N 0 0 300.189 3.283 20 10 DGCDRN CC[C@H]([NH2+]C[C@H](OC)[C@H]1CCOC1)c1cccc(Cl)c1[O-] ZINC000850485213 632167004 /nfs/dbraw/zinc/16/70/04/632167004.db2.gz ZAZKYQOSPFDZAO-CQDKDKBSSA-N 0 0 313.825 3.138 20 10 DGCDRN COC[C@@H](CC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-])OC ZINC000850485373 632167208 /nfs/dbraw/zinc/16/72/08/632167208.db2.gz GOWMLXSDYWSEOU-NXEZZACHSA-N 0 0 322.232 3.401 20 10 DGCDRN CC[C@H]([NH2+][C@@H](COC)C1CCOCC1)c1ccc(F)cc1[O-] ZINC000850494863 632170899 /nfs/dbraw/zinc/17/08/99/632170899.db2.gz YNDVJKJXDWFPRB-HOTGVXAUSA-N 0 0 311.397 3.014 20 10 DGCDRN CCn1cc(C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])nn1 ZINC000850522338 632178184 /nfs/dbraw/zinc/17/81/84/632178184.db2.gz OUOMQJSIRVXWDP-MRVPVSSYSA-N 0 0 315.204 3.161 20 10 DGCDRN CC[C@@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000850527841 632181699 /nfs/dbraw/zinc/18/16/99/632181699.db2.gz CCIPYUOIGDMHHN-IONNQARKSA-N 0 0 322.630 3.230 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)CN1CCC(C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850542951 632187979 /nfs/dbraw/zinc/18/79/79/632187979.db2.gz DIEZKVGGCXKTMY-UONOGXRCSA-N 0 0 321.421 3.071 20 10 DGCDRN C[C@@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1ccc(F)cc1[O-] ZINC000850548852 632189209 /nfs/dbraw/zinc/18/92/09/632189209.db2.gz APCOVSJBEYXRPW-LLVKDONJSA-N 0 0 303.381 3.383 20 10 DGCDRN Cc1cc(Br)cc([C@H](C)NCc2ncccn2)c1O ZINC000850551581 632190064 /nfs/dbraw/zinc/19/00/64/632190064.db2.gz HXQGGGVUQPXREN-JTQLQIEISA-N 0 0 322.206 3.104 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)cc1 ZINC000851098946 632309619 /nfs/dbraw/zinc/30/96/19/632309619.db2.gz MFZOHDVGWDHECW-CAOSSQGBSA-N 0 0 315.413 3.111 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)C3CC4(CC4)C3)C2)cc1 ZINC000851098939 632310036 /nfs/dbraw/zinc/31/00/36/632310036.db2.gz LYLZYZMUBGTXKR-AWEZNQCLSA-N 0 0 315.413 3.255 20 10 DGCDRN Nc1ccc(CCNC(=O)C2(C(F)(F)F)CCCCC2)cc1 ZINC000851631395 632462431 /nfs/dbraw/zinc/46/24/31/632462431.db2.gz AOEDXIYSVCXTLU-UHFFFAOYSA-N 0 0 314.351 3.440 20 10 DGCDRN CC(C)[C@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1F ZINC000851642036 632465388 /nfs/dbraw/zinc/46/53/88/632465388.db2.gz PGFRKTJSZLLNEW-SFHVURJKSA-N 0 0 300.377 3.464 20 10 DGCDRN CN(C[C@@H]1CCc2ccccc21)C(=O)NCCc1ccc(N)cc1 ZINC000851664518 632468107 /nfs/dbraw/zinc/46/81/07/632468107.db2.gz DDWSEHRYNYNLJV-KRWDZBQOSA-N 0 0 323.440 3.183 20 10 DGCDRN Cc1cc(C[N@H+](CC(=O)[O-])C2CCC2)ccc1N1CCCCC1 ZINC000851706730 632470766 /nfs/dbraw/zinc/47/07/66/632470766.db2.gz GPYPWLQTKQSWLE-UHFFFAOYSA-N 0 0 316.445 3.424 20 10 DGCDRN COc1cc(CN(C)Cc2ccc(N3CCCCC3)cc2)on1 ZINC000851715725 632473093 /nfs/dbraw/zinc/47/30/93/632473093.db2.gz BXYAVYDBQWXQPV-UHFFFAOYSA-N 0 0 315.417 3.306 20 10 DGCDRN COc1ccc(N(C[C@@H](OC)[C@H]2CCOC2)C(C)C)cc1F ZINC000851835669 632505995 /nfs/dbraw/zinc/50/59/95/632505995.db2.gz DGEDLVHHFGOVGI-SUMWQHHRSA-N 0 0 311.397 3.101 20 10 DGCDRN COC[C@H](CN(Cc1cccs1)c1ccc(OC)cc1)OC ZINC000851835959 632506065 /nfs/dbraw/zinc/50/60/65/632506065.db2.gz JMVNRTPGUXACDI-INIZCTEOSA-N 0 0 321.442 3.425 20 10 DGCDRN COC[C@@H](CN(Cc1ccco1)c1ccc(OC)c(F)c1)OC ZINC000851848468 632507825 /nfs/dbraw/zinc/50/78/25/632507825.db2.gz LYEYDZKCVZEOQU-OAHLLOKOSA-N 0 0 323.364 3.095 20 10 DGCDRN CC[C@H](CC(F)F)CN(C)c1ccc(OCC(=O)OC)cc1 ZINC000851924310 632522343 /nfs/dbraw/zinc/52/23/43/632522343.db2.gz NAKRCJOMAZHPOY-GFCCVEGCSA-N 0 0 315.360 3.356 20 10 DGCDRN C[C@H](NC(=O)NCCCc1ccco1)c1ccc(N(C)C)cc1 ZINC000852261731 632578283 /nfs/dbraw/zinc/57/82/83/632578283.db2.gz USBSVVJIMCQGCX-AWEZNQCLSA-N 0 0 315.417 3.339 20 10 DGCDRN Cc1ccc(C(=O)OCc2nc3ccccc3s2)c(O)c1O ZINC000110523657 632584063 /nfs/dbraw/zinc/58/40/63/632584063.db2.gz WLLFZKCFRFOCSU-UHFFFAOYSA-N 0 0 315.350 3.373 20 10 DGCDRN CCCN(CCC)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852452815 632606091 /nfs/dbraw/zinc/60/60/91/632606091.db2.gz GRJPMHNWIGKFRO-HNNXBMFYSA-N 0 0 319.449 3.106 20 10 DGCDRN Cc1ncc(/C=C/C(=O)N2C[C@@H](C)Oc3c(F)cccc32)s1 ZINC000185555318 660229693 /nfs/dbraw/zinc/22/96/93/660229693.db2.gz CINRGTNIEOBDCR-VQCYPWCPSA-N 0 0 318.373 3.418 20 10 DGCDRN CN1CCCc2cc(CNC(=O)Cc3cccc(F)c3)ccc21 ZINC000058768825 659106485 /nfs/dbraw/zinc/10/64/85/659106485.db2.gz WFCNSQDCSVAIME-UHFFFAOYSA-N 0 0 312.388 3.067 20 10 DGCDRN Cc1cncc(/C=C/C(=O)N2C[C@H](C)Oc3c(F)cccc32)c1 ZINC000185589881 660231999 /nfs/dbraw/zinc/23/19/99/660231999.db2.gz YTMXYVKHGONMPU-YBJDMEARSA-N 0 0 312.344 3.356 20 10 DGCDRN COCCn1c2ccccc2nc1NCc1ccc(N(C)C)cc1 ZINC000185845826 660248368 /nfs/dbraw/zinc/24/83/68/660248368.db2.gz LGBFUBNFANYBMC-UHFFFAOYSA-N 0 0 324.428 3.361 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@H](O)Cc1ccccc1 ZINC000186147529 660270227 /nfs/dbraw/zinc/27/02/27/660270227.db2.gz HAHLJPCXWLSRIU-OGHNNQOOSA-N 0 0 303.377 3.174 20 10 DGCDRN Cc1cc2occ(C(=O)NCc3ccc(O)c(O)c3)c2cc1C ZINC000186178954 660331666 /nfs/dbraw/zinc/33/16/66/660331666.db2.gz UZTKACGQIPNLNV-UHFFFAOYSA-N 0 0 311.337 3.391 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccnc2ccccc21 ZINC000186400567 660382004 /nfs/dbraw/zinc/38/20/04/660382004.db2.gz AIJGQXSSKGWBNU-LBPRGKRZSA-N 0 0 322.364 3.007 20 10 DGCDRN CC[C@@]1(C)COCCN1Cc1ccc(Br)cc1O ZINC000707691501 660916700 /nfs/dbraw/zinc/91/67/00/660916700.db2.gz QZUWPTHICNYMIQ-AWEZNQCLSA-N 0 0 314.223 3.156 20 10 DGCDRN CC(C)OCC[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708100910 660918023 /nfs/dbraw/zinc/91/80/23/660918023.db2.gz XCYDBJJGPKEYQP-UHFFFAOYSA-N 0 0 322.630 3.323 20 10 DGCDRN C[N@H+](Cc1cc(Cl)cc(Br)c1[O-])[C@H]1CCOC1 ZINC000708133572 660918345 /nfs/dbraw/zinc/91/83/45/660918345.db2.gz MCBOMNFHNGNPBB-JTQLQIEISA-N 0 0 320.614 3.029 20 10 DGCDRN CC(C)[C@H]1CN(Cc2ccc(Br)cc2O)CCO1 ZINC000709000158 660923546 /nfs/dbraw/zinc/92/35/46/660923546.db2.gz KTOWUXXDIRPULP-CQSZACIVSA-N 0 0 314.223 3.012 20 10 DGCDRN O=C(NCCCSc1nccs1)c1c(F)cccc1F ZINC000074136461 660946356 /nfs/dbraw/zinc/94/63/56/660946356.db2.gz JEGIPTOIQCKVCB-UHFFFAOYSA-N 0 0 314.382 3.334 20 10 DGCDRN CCCOc1cc(F)ccc1NC(=O)c1cccc(O)c1O ZINC000187188846 660965645 /nfs/dbraw/zinc/96/56/45/660965645.db2.gz POSGWUUODPIDEL-UHFFFAOYSA-N 0 0 305.305 3.278 20 10 DGCDRN CC[C@](C)(C[NH2+]Cc1cccc(Br)c1[O-])OC ZINC000322922268 660967954 /nfs/dbraw/zinc/96/79/54/660967954.db2.gz LIXDITUFVJJJBF-CYBMUJFWSA-N 0 0 302.212 3.059 20 10 DGCDRN COc1ccc(CNC(=O)NCc2cccc(Cl)c2)c(O)c1 ZINC000792764387 660983426 /nfs/dbraw/zinc/98/34/26/660983426.db2.gz XXUFRPIKHNIWRA-UHFFFAOYSA-N 0 0 320.776 3.054 20 10 DGCDRN COc1ccc(CNC(=O)NC[C@@H](C)c2ccccc2)c(O)c1 ZINC000792794735 660985061 /nfs/dbraw/zinc/98/50/61/660985061.db2.gz LQBMZMXZOWXUEA-CYBMUJFWSA-N 0 0 314.385 3.004 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2Cc3ccc(F)cc32)cc1 ZINC000792878551 660990851 /nfs/dbraw/zinc/99/08/51/660990851.db2.gz UAOFDVVSPDGKIM-SFHVURJKSA-N 0 0 312.388 3.190 20 10 DGCDRN CC[C@H](C)CC[C@H](O)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000792878350 660990917 /nfs/dbraw/zinc/99/09/17/660990917.db2.gz QJSDBBFASOBZPC-YJBOKZPZSA-N 0 0 320.477 3.288 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H]2CCC[C@@H](C(C)C)C2)c(O)c1 ZINC000792983959 660998424 /nfs/dbraw/zinc/99/84/24/660998424.db2.gz GTZJAGLAUDPVBG-UKRRQHHQSA-N 0 0 320.433 3.415 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CC[C@@H](C)C1 ZINC000793023990 661000823 /nfs/dbraw/zinc/00/08/23/661000823.db2.gz IIXYKNCKLWMBBP-UKRRQHHQSA-N 0 0 303.450 3.296 20 10 DGCDRN COc1ccc(CNC(=O)NC2CCC(C)(C)CC2)c(O)c1 ZINC000793043615 661001985 /nfs/dbraw/zinc/00/19/85/661001985.db2.gz BETDMKLGODRXDB-UHFFFAOYSA-N 0 0 306.406 3.169 20 10 DGCDRN COc1ccc(CNC(=O)N[C@H]2CCC[C@@H](C)CC2)c(O)c1 ZINC000793171118 661009588 /nfs/dbraw/zinc/00/95/88/661009588.db2.gz MNGQZEQMBMACEI-OCCSQVGLSA-N 0 0 306.406 3.169 20 10 DGCDRN COc1c([O-])c(C[N@H+](C)[C@H]2CCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000793351570 661026284 /nfs/dbraw/zinc/02/62/84/661026284.db2.gz JNOVDCUWJUACBP-LBPRGKRZSA-N 0 0 308.378 3.320 20 10 DGCDRN COc1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])c(O)c1 ZINC000793388729 661029287 /nfs/dbraw/zinc/02/92/87/661029287.db2.gz SFJXVBYJIRGYSC-UHFFFAOYSA-N 0 0 311.740 3.189 20 10 DGCDRN Cc1cc(C(=O)OC[C@H]2CCO[C@H]2C)c(C)n1-c1ccccn1 ZINC000793418521 661032407 /nfs/dbraw/zinc/03/24/07/661032407.db2.gz CDQVSCGXJNOBCS-LSDHHAIUSA-N 0 0 314.385 3.071 20 10 DGCDRN O=C(NCCCSc1nccs1)[C@H]1Cc2ccc(F)cc21 ZINC000793496955 661038821 /nfs/dbraw/zinc/03/88/21/661038821.db2.gz QPHJMUNFPIANPK-ZDUSSCGKSA-N 0 0 322.430 3.221 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@@H](F)CC2CCCCC2)c1 ZINC000793688385 661053355 /nfs/dbraw/zinc/05/33/55/661053355.db2.gz FUJLPZNHBHYJDL-HNNXBMFYSA-N 0 0 309.381 3.326 20 10 DGCDRN CC[C@H]1CC[N@@H+]1Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000793823987 661059140 /nfs/dbraw/zinc/05/91/40/661059140.db2.gz QXGOICCFOBHSTH-AWEZNQCLSA-N 0 0 311.381 3.313 20 10 DGCDRN C[C@H](NC(=O)Cc1ccc2n[nH]cc2c1)c1ccc(N(C)C)cc1 ZINC000793855975 661060566 /nfs/dbraw/zinc/06/05/66/661060566.db2.gz NLIREEIJVNHXOQ-ZDUSSCGKSA-N 0 0 322.412 3.049 20 10 DGCDRN Cc1nc(C(C)C)oc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000794335100 661079111 /nfs/dbraw/zinc/07/91/11/661079111.db2.gz BQSSFNKCJPLBMZ-UHFFFAOYSA-N 0 0 315.417 3.411 20 10 DGCDRN COc1ccc(CNC(=O)c2ccc(Cl)c(F)c2)c(O)c1 ZINC000794377052 661081743 /nfs/dbraw/zinc/08/17/43/661081743.db2.gz FFWWFEHYKHCQLY-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN COc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)c(O)c1 ZINC000794381341 661081821 /nfs/dbraw/zinc/08/18/21/661081821.db2.gz LADWHLKFZRZXJD-UHFFFAOYSA-N 0 0 315.413 3.233 20 10 DGCDRN CCn1cc(C(=O)NCc2ccc(OC)cc2O)c2ccccc21 ZINC000794377252 661081843 /nfs/dbraw/zinc/08/18/43/661081843.db2.gz QJBZXLYMSBVYLV-UHFFFAOYSA-N 0 0 324.380 3.305 20 10 DGCDRN COc1ccc(CNC(=O)c2cnc(C(C)(C)C)s2)c(O)c1 ZINC000794379928 661081880 /nfs/dbraw/zinc/08/18/80/661081880.db2.gz UTTDTDGGQCFZGG-UHFFFAOYSA-N 0 0 320.414 3.085 20 10 DGCDRN COc1ccc(CNC(=O)/C=C/c2ccc3[nH]ccc3c2)c(O)c1 ZINC000794381668 661081908 /nfs/dbraw/zinc/08/19/08/661081908.db2.gz QTYOQYLAYVIUNG-XVNBXDOJSA-N 0 0 322.364 3.212 20 10 DGCDRN COc1ccc(CNC(=O)C[C@H]2CCc3ccccc32)c(O)c1 ZINC000794388077 661082662 /nfs/dbraw/zinc/08/26/62/661082662.db2.gz OPILVANWKJFWEQ-CQSZACIVSA-N 0 0 311.381 3.137 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CC(C3CCCC3)C2)cc1OC ZINC000795261943 661137157 /nfs/dbraw/zinc/13/71/57/661137157.db2.gz WYKUQSNNIPFZFM-UHFFFAOYSA-N 0 0 306.362 3.238 20 10 DGCDRN CCOc1cccc(NCc2ccc(OC)cc2O)c1[N+](=O)[O-] ZINC000795284136 661138271 /nfs/dbraw/zinc/13/82/71/661138271.db2.gz IPBMFBPNZOHXCF-UHFFFAOYSA-N 0 0 318.329 3.320 20 10 DGCDRN COc1ccc(CNc2ccc(C(C)=O)cc2[N+](=O)[O-])c(O)c1 ZINC000795292078 661138720 /nfs/dbraw/zinc/13/87/20/661138720.db2.gz LJCYTHJHFFGZJI-UHFFFAOYSA-N 0 0 316.313 3.124 20 10 DGCDRN Cc1cc(C(=O)OCC(=O)C2(C)CC2)c(C)n1-c1ccccn1 ZINC000795426911 661149512 /nfs/dbraw/zinc/14/95/12/661149512.db2.gz VPOSYRCPPPHIMK-UHFFFAOYSA-N 0 0 312.369 3.015 20 10 DGCDRN O=C(/C=C\c1ccccc1)NCCCSc1nccs1 ZINC000254987079 655554439 /nfs/dbraw/zinc/55/44/39/655554439.db2.gz XCLGZKAWKPHOPY-FPLPWBNLSA-N 0 0 304.440 3.455 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC(C1CC1)C1CC1 ZINC000048444994 655604470 /nfs/dbraw/zinc/60/44/70/655604470.db2.gz RCHOPNIMVLWZBQ-UHFFFAOYSA-N 0 0 313.445 3.275 20 10 DGCDRN Cc1ccc(C(=O)Nc2cccc(OC(F)F)c2)c(O)c1O ZINC000177672631 655614511 /nfs/dbraw/zinc/61/45/11/655614511.db2.gz UCMUCOAUVFIGOD-UHFFFAOYSA-N 0 0 309.268 3.260 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC(C1CC1)C1CC1 ZINC000045438930 655625745 /nfs/dbraw/zinc/62/57/45/655625745.db2.gz BELMBVIFWGXYIK-UHFFFAOYSA-N 0 0 315.461 3.473 20 10 DGCDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)N1CCNC(=O)C1 ZINC000255171934 655627643 /nfs/dbraw/zinc/62/76/43/655627643.db2.gz WTXLMRWLUILUHS-UHFFFAOYSA-N 0 0 323.356 3.066 20 10 DGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1C[C@@H]1C ZINC000175842310 655660523 /nfs/dbraw/zinc/66/05/23/655660523.db2.gz JOSFSOIDAKIMDN-CABZTGNLSA-N 0 0 312.207 3.159 20 10 DGCDRN CCC(CC)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000068549068 655688015 /nfs/dbraw/zinc/68/80/15/655688015.db2.gz SMSKQIAOFKYQQL-CQSZACIVSA-N 0 0 319.449 3.072 20 10 DGCDRN COCCc1ccnc(NCc2c(O)ccc(Cl)c2F)c1 ZINC000795808140 661173637 /nfs/dbraw/zinc/17/36/37/661173637.db2.gz LUQJHLDNBSACBM-UHFFFAOYSA-N 0 0 310.756 3.381 20 10 DGCDRN O=C(/C=C\c1cncc(F)c1)N1CCOc2ccc(Cl)cc21 ZINC000255339609 655703737 /nfs/dbraw/zinc/70/37/37/655703737.db2.gz YYRGEDSCIQGNMR-RJRFIUFISA-N 0 0 318.735 3.313 20 10 DGCDRN COc1c([O-])c(C[NH2+]C[C@@H]2CCC[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000795999120 661184332 /nfs/dbraw/zinc/18/43/32/661184332.db2.gz HAFJZVBPOQZKRJ-AGIUHOORSA-N 0 0 322.405 3.471 20 10 DGCDRN COc1ccc(O)c(CNC(=O)/C=C\SCc2ccco2)c1 ZINC000255499113 655773015 /nfs/dbraw/zinc/77/30/15/655773015.db2.gz KWXWPXXAOKYGNS-VURMDHGXSA-N 0 0 319.382 3.057 20 10 DGCDRN O=C1NC(=S)S/C1=C/c1ncc(-c2ccccc2)s1 ZINC000255505381 655775367 /nfs/dbraw/zinc/77/53/67/655775367.db2.gz UTBHPAJSXMIVII-RMKNXTFCSA-N 0 0 304.421 3.299 20 10 DGCDRN COc1ccc(-n2c(C)cc(C(=O)NCCCF)c2C)cc1 ZINC000161574533 655806484 /nfs/dbraw/zinc/80/64/84/655806484.db2.gz BUAJLMDVRVYSPT-UHFFFAOYSA-N 0 0 304.365 3.192 20 10 DGCDRN CN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cc(F)ccc1O ZINC000077472453 655824471 /nfs/dbraw/zinc/82/44/71/655824471.db2.gz YJQFEMWRWBZXGU-AWEZNQCLSA-N 0 0 306.724 3.381 20 10 DGCDRN CC(=O)Nc1cccc(NC(=O)[C@H](C)Sc2nccs2)c1 ZINC000052914314 655846818 /nfs/dbraw/zinc/84/68/18/655846818.db2.gz JLIKZFBPNBNCFP-VIFPVBQESA-N 0 0 321.427 3.221 20 10 DGCDRN CC(C)CCO[C@@H](C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000075159968 655852091 /nfs/dbraw/zinc/85/20/91/655852091.db2.gz INKRTSRMNWGPMT-AWEZNQCLSA-N 0 0 319.445 3.338 20 10 DGCDRN Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000065560687 655859804 /nfs/dbraw/zinc/85/98/04/655859804.db2.gz FRMIAFIIVMWMIG-MRXNPFEDSA-N 0 0 324.424 3.323 20 10 DGCDRN COc1cccc(CNC(=O)/C=C\c2ccc(Cl)s2)c1O ZINC000255602805 655862529 /nfs/dbraw/zinc/86/25/29/655862529.db2.gz DHKHGAUWJQKJCD-VURMDHGXSA-N 0 0 323.801 3.445 20 10 DGCDRN CN(C)c1ccc(CN(C)Cn2ccc(C(F)(F)F)n2)cc1 ZINC000065940913 655920356 /nfs/dbraw/zinc/92/03/56/655920356.db2.gz INFQODLHBYIARQ-UHFFFAOYSA-N 0 0 312.339 3.057 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)COC1CCCCC1 ZINC000066096277 655931698 /nfs/dbraw/zinc/93/16/98/655931698.db2.gz FCIVXXPCERPPKO-UHFFFAOYSA-N 0 0 305.418 3.480 20 10 DGCDRN Cc1ccc(C(=O)N(C)Cc2cccc(Cl)c2)c(O)c1O ZINC000177659793 655937531 /nfs/dbraw/zinc/93/75/31/655937531.db2.gz CLBCDEVWBQXZQL-UHFFFAOYSA-N 0 0 305.761 3.332 20 10 DGCDRN CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccccc1O ZINC000177676167 655938574 /nfs/dbraw/zinc/93/85/74/655938574.db2.gz SRHSUJZIFKQJFR-UHFFFAOYSA-N 0 0 316.357 3.331 20 10 DGCDRN Cc1ccc(C(=O)Nc2cnc(-c3ccccc3)nc2)c(O)c1O ZINC000177668009 655938797 /nfs/dbraw/zinc/93/87/97/655938797.db2.gz TVMVYQCMPJGYOS-UHFFFAOYSA-N 0 0 321.336 3.116 20 10 DGCDRN C[C@H]1CCCC[C@@H]1NC(=O)COc1ccc(N2CCCC2)cc1 ZINC000178196468 655959720 /nfs/dbraw/zinc/95/97/20/655959720.db2.gz SWHMMVNUPHVHHQ-YJBOKZPZSA-N 0 0 316.445 3.361 20 10 DGCDRN C[C@@H]1CCCC[C@H]1NC(=O)COc1ccc(N2CCCC2)cc1 ZINC000178196483 655960152 /nfs/dbraw/zinc/96/01/52/655960152.db2.gz SWHMMVNUPHVHHQ-CRAIPNDOSA-N 0 0 316.445 3.361 20 10 DGCDRN COc1ncccc1NCc1cc(Br)ccc1O ZINC000163294288 655968896 /nfs/dbraw/zinc/96/88/96/655968896.db2.gz SNXZSYFPUOZSCA-UHFFFAOYSA-N 0 0 309.163 3.170 20 10 DGCDRN C[C@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)c1cc(F)ccc1O ZINC000176982916 655970749 /nfs/dbraw/zinc/97/07/49/655970749.db2.gz NRIWZRLSKLVOSX-VHSXEESVSA-N 0 0 316.332 3.424 20 10 DGCDRN CC[C@@H](CSC)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000181451311 655998889 /nfs/dbraw/zinc/99/88/89/655998889.db2.gz DQPVQLRATWNHDM-ZDUSSCGKSA-N 0 0 322.474 3.212 20 10 DGCDRN CO[C@@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000179749499 656087605 /nfs/dbraw/zinc/08/76/05/656087605.db2.gz STKGHUWMGOQUKX-CYBMUJFWSA-N 0 0 314.223 3.074 20 10 DGCDRN CCCc1cnc(NC(=O)NCc2cc(OC)ccc2O)s1 ZINC000180796657 656094791 /nfs/dbraw/zinc/09/47/91/656094791.db2.gz KAUXGURYSKEIPY-UHFFFAOYSA-N 0 0 321.402 3.132 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc2scnc2c1 ZINC000181011727 656096660 /nfs/dbraw/zinc/09/66/60/656096660.db2.gz NIPRWMLUROEYOP-QHHAFSJGSA-N 0 0 312.350 3.359 20 10 DGCDRN CCc1nnc(NCc2cccc(Br)c2O)s1 ZINC000181473859 656099278 /nfs/dbraw/zinc/09/92/78/656099278.db2.gz AKCGHPFRJVHZOY-UHFFFAOYSA-N 0 0 314.208 3.181 20 10 DGCDRN COc1ccccc1C(C)(C)NC(=O)c1ccc(C)c(O)c1O ZINC000182356095 656105430 /nfs/dbraw/zinc/10/54/30/656105430.db2.gz GHQOGCZPHUXXOS-UHFFFAOYSA-N 0 0 315.369 3.080 20 10 DGCDRN Cc1ccc(C(=O)N[C@H](C)c2cccc(F)c2F)c(O)c1O ZINC000182965387 656109520 /nfs/dbraw/zinc/10/95/20/656109520.db2.gz WXMXEBJOKBMKAP-SECBINFHSA-N 0 0 307.296 3.175 20 10 DGCDRN Cc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(c3ccccc3)C2)c(O)c1 ZINC000185164425 656124418 /nfs/dbraw/zinc/12/44/18/656124418.db2.gz YFHVFKAGILHVRG-CABCVRRESA-N 0 0 310.397 3.157 20 10 DGCDRN C[C@H]([NH2+]CCc1ccc2c(c1)CCO2)c1ccc(F)cc1[O-] ZINC000185451888 656126507 /nfs/dbraw/zinc/12/65/07/656126507.db2.gz ZXUPLWJYGLRAIZ-LBPRGKRZSA-N 0 0 301.361 3.360 20 10 DGCDRN Cc1csc2ncnc(N[C@H](C)Cc3ccc(O)c(O)c3)c12 ZINC000840283939 661231648 /nfs/dbraw/zinc/23/16/48/661231648.db2.gz CNEDBTYBWWFHCT-SNVBAGLBSA-N 0 0 315.398 3.454 20 10 DGCDRN Cc1ccn2ncc(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)c2c1 ZINC000828860535 661232931 /nfs/dbraw/zinc/23/29/31/661232931.db2.gz DTSSWSZLVUHEJD-AWEZNQCLSA-N 0 0 322.412 3.200 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2Cc3ccccc32)cc1 ZINC000194203139 656223959 /nfs/dbraw/zinc/22/39/59/656223959.db2.gz CFYIARXGVMQMAX-KRWDZBQOSA-N 0 0 323.440 3.234 20 10 DGCDRN CCCN(C(=O)Cc1ccc(N)cc1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000236740385 656315598 /nfs/dbraw/zinc/31/55/98/656315598.db2.gz DFRKJOPWXFIGKJ-IAGOWNOFSA-N 0 0 318.461 3.254 20 10 DGCDRN CCCN(C(=O)Cc1ccc(N)cc1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000236743072 656316560 /nfs/dbraw/zinc/31/65/60/656316560.db2.gz DFRKJOPWXFIGKJ-SJORKVTESA-N 0 0 318.461 3.254 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)CCCc1nc2ccccc2[nH]1 ZINC000053916153 656454354 /nfs/dbraw/zinc/45/43/54/656454354.db2.gz ZMPXDMSTXUMBLI-UHFFFAOYSA-N 0 0 323.396 3.250 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CCN1C(=O)OC(C)(C)C)c1ccc(F)cc1[O-] ZINC000724927927 656530381 /nfs/dbraw/zinc/53/03/81/656530381.db2.gz YHOJPXKCGLTMBD-WCQYABFASA-N 0 0 324.396 3.191 20 10 DGCDRN CCCCN(Cc1nnc(OC)s1)Cc1ccccc1O ZINC000930351265 661274208 /nfs/dbraw/zinc/27/42/08/661274208.db2.gz NJEVEXVPIJTOFN-UHFFFAOYSA-N 0 0 307.419 3.055 20 10 DGCDRN CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000317323519 656607813 /nfs/dbraw/zinc/60/78/13/656607813.db2.gz FRZMNKYJLYSNNY-CHWSQXEVSA-N 0 0 300.402 3.109 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(N)ccc1C ZINC000320287940 656947424 /nfs/dbraw/zinc/94/74/24/656947424.db2.gz XXSFSNLKOZFKKA-UHFFFAOYSA-N 0 0 311.429 3.306 20 10 DGCDRN CCCn1c2ccccc2nc1NC(=O)Cc1ccc(N)cc1 ZINC000237037278 657059118 /nfs/dbraw/zinc/05/91/18/657059118.db2.gz AQXALYNVIYQSCF-UHFFFAOYSA-N 0 0 308.385 3.210 20 10 DGCDRN CN(Cc1ccc(Br)cn1)c1ccc2c(c1)OCO2 ZINC000178882589 657094997 /nfs/dbraw/zinc/09/49/97/657094997.db2.gz YKXZOCSEPSECCF-UHFFFAOYSA-N 0 0 321.174 3.209 20 10 DGCDRN Cc1sc2ncnc(NCc3ccc(O)c(O)c3)c2c1C ZINC000178904865 657192832 /nfs/dbraw/zinc/19/28/32/657192832.db2.gz YNKLRWRAFCQMHM-UHFFFAOYSA-N 0 0 301.371 3.331 20 10 DGCDRN CC(C)(C)C1CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841953530 658120776 /nfs/dbraw/zinc/12/07/76/658120776.db2.gz ACJNISZVUFUPMH-UHFFFAOYSA-N 0 0 303.450 3.279 20 10 DGCDRN COc1ccc(Cl)cc1CC(=O)N(C)Cc1ccccc1O ZINC000119971494 658724467 /nfs/dbraw/zinc/72/44/67/658724467.db2.gz SLUOUKBGTAMIJF-UHFFFAOYSA-N 0 0 319.788 3.255 20 10 DGCDRN CC(=O)c1cc(F)cc(C[N@H+]2CCCCC[C@@H]2C[C@@H](C)O)c1[O-] ZINC000323673761 658783323 /nfs/dbraw/zinc/78/33/23/658783323.db2.gz XHUVWLFQJKJCMI-MLGOLLRUSA-N 0 0 323.408 3.249 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2c2ccncc2)cc1 ZINC000031728840 658844945 /nfs/dbraw/zinc/84/49/45/658844945.db2.gz ITUVGFGOTHALGO-GOSISDBHSA-N 0 0 324.428 3.194 20 10 DGCDRN C[C@H]1CCC[C@@H](N(C)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000031731399 658845105 /nfs/dbraw/zinc/84/51/05/658845105.db2.gz RRSKXKFLGWKHER-WMLDXEAASA-N 0 0 303.450 3.473 20 10 DGCDRN CC(C)(C)c1cnc(SCCCN2CCOCC2)s1 ZINC000164036297 658913562 /nfs/dbraw/zinc/91/35/62/658913562.db2.gz AJVQFIMQYOAERD-UHFFFAOYSA-N 0 0 300.493 3.255 20 10 DGCDRN Cc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1Cl ZINC000156612580 658931269 /nfs/dbraw/zinc/93/12/69/658931269.db2.gz APYROSYBOXZUTJ-UHFFFAOYSA-N 0 0 305.761 3.032 20 10 DGCDRN CC[C@@H](Nc1ccc(N2CCOCC2)cn1)c1ccccc1O ZINC000157132426 658990662 /nfs/dbraw/zinc/99/06/62/658990662.db2.gz BWCUMFJKYXLBMI-MRXNPFEDSA-N 0 0 313.401 3.187 20 10 DGCDRN CCCN(CC1CC1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000057650241 659022364 /nfs/dbraw/zinc/02/23/64/659022364.db2.gz DPHKFXGFBPEJID-UHFFFAOYSA-N 0 0 315.461 3.401 20 10 DGCDRN Cc1cc(C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccccc1C ZINC000046467645 659123390 /nfs/dbraw/zinc/12/33/90/659123390.db2.gz CKMQKZZUIXOBCF-INIZCTEOSA-N 0 0 312.413 3.311 20 10 DGCDRN CCN(Cc1c(C)nn(C)c1Cl)Cc1ccc(N(C)C)cc1 ZINC000170748511 659234328 /nfs/dbraw/zinc/23/43/28/659234328.db2.gz OADGDCASUPAJOS-UHFFFAOYSA-N 0 0 320.868 3.470 20 10 DGCDRN C[C@@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)c1ccc(F)cc1O ZINC000170789145 659237159 /nfs/dbraw/zinc/23/71/59/659237159.db2.gz NIGUAWNZCTWVJJ-NXEZZACHSA-N 0 0 316.332 3.424 20 10 DGCDRN Cc1cc(C(=O)OC[C@H]2CCCCO2)c(C)n1-c1ccccn1 ZINC000171374786 659276685 /nfs/dbraw/zinc/27/66/85/659276685.db2.gz WUGHMRHQHQQFOR-OAHLLOKOSA-N 0 0 314.385 3.215 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(F)cc2)c1 ZINC000171720574 659295901 /nfs/dbraw/zinc/29/59/01/659295901.db2.gz JWROSJAABDAMJA-LLVKDONJSA-N 0 0 318.348 3.100 20 10 DGCDRN COc1cccc(CNC(=O)/C=C(\C)c2cccc(F)c2)c1O ZINC000171869403 659304795 /nfs/dbraw/zinc/30/47/95/659304795.db2.gz SSSIVNXBPMULLR-FMIVXFBMSA-N 0 0 315.344 3.260 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@@H](SC)c2ccccc2)c1 ZINC000172404512 659333661 /nfs/dbraw/zinc/33/36/61/659333661.db2.gz UBKIJNUQNSAOBN-INIZCTEOSA-N 0 0 317.410 3.121 20 10 DGCDRN C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)c1cccc(F)c1 ZINC000172697157 659349902 /nfs/dbraw/zinc/34/99/02/659349902.db2.gz LEWPMKMHENRUSV-CYBMUJFWSA-N 0 0 300.377 3.312 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cnc(C(C)(C)C)s1 ZINC000063094267 659364495 /nfs/dbraw/zinc/36/44/95/659364495.db2.gz VTHNHQAHNLYPTA-UHFFFAOYSA-N 0 0 304.415 3.418 20 10 DGCDRN CN(Cc1cscn1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000063127385 659369448 /nfs/dbraw/zinc/36/94/48/659369448.db2.gz NNASLLZLDJOPBS-UHFFFAOYSA-N 0 0 306.431 3.484 20 10 DGCDRN Cc1cc(C=C2SC(=S)NC2=O)ccc1Br ZINC000173956282 659406303 /nfs/dbraw/zinc/40/63/03/659406303.db2.gz VEHAUACVJNUMNZ-WEVVVXLNSA-N 0 0 314.229 3.246 20 10 DGCDRN CC(C)Cc1nc(C(=O)N(C)Cc2ccccc2O)cs1 ZINC000063810600 659412954 /nfs/dbraw/zinc/41/29/54/659412954.db2.gz LJOTWBBOJJPJMV-UHFFFAOYSA-N 0 0 304.415 3.319 20 10 DGCDRN COc1cccc(CNC(=O)NC[C@@H]2CCCC[C@H]2C)c1O ZINC000174339602 659428278 /nfs/dbraw/zinc/42/82/78/659428278.db2.gz ZLNOZVLTFNCGSP-OLZOCXBDSA-N 0 0 306.406 3.026 20 10 DGCDRN O=C(NCc1ccccc1)NCc1c(O)ccc2c1CCCC2 ZINC000174476435 659435470 /nfs/dbraw/zinc/43/54/70/659435470.db2.gz DMSALEZCBDWVRZ-UHFFFAOYSA-N 0 0 310.397 3.270 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccccc2OCC2CC2)c(O)c1O ZINC000179513811 659932009 /nfs/dbraw/zinc/93/20/09/659932009.db2.gz BHXQKLIJXLHTKD-UHFFFAOYSA-N 0 0 313.353 3.447 20 10 DGCDRN Cc1cnc([C@@H](NC(=O)c2ccc(C)c(O)c2O)C2CC2)s1 ZINC000179517988 659932072 /nfs/dbraw/zinc/93/20/72/659932072.db2.gz LCEZSLMIIZWQBE-LBPRGKRZSA-N 0 0 318.398 3.052 20 10 DGCDRN COc1ccc(N(C)C[C@H](O)c2ccc(F)cc2F)cc1OC ZINC000067984665 659933808 /nfs/dbraw/zinc/93/38/08/659933808.db2.gz QKEOTHZJTBDLNA-HNNXBMFYSA-N 0 0 323.339 3.152 20 10 DGCDRN C[C@@H](c1ccccc1)N(Cc1nncn1C)Cc1ccccc1O ZINC000179641986 659936088 /nfs/dbraw/zinc/93/60/88/659936088.db2.gz YKYDUVVGCGVGJR-HNNXBMFYSA-N 0 0 322.412 3.284 20 10 DGCDRN Cc1cc(NC(=O)Cc2ccc(N)cc2)n(Cc2ccccc2)n1 ZINC000237808269 659942860 /nfs/dbraw/zinc/94/28/60/659942860.db2.gz LRNZJPYIBDJKEE-UHFFFAOYSA-N 0 0 320.396 3.003 20 10 DGCDRN CC[C@H](CSC)NC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000179978620 659948216 /nfs/dbraw/zinc/94/82/16/659948216.db2.gz WQYQZXJIHLYPHW-OAHLLOKOSA-N 0 0 323.506 3.426 20 10 DGCDRN Nc1ccc(CC(=O)NCCc2ccc(C(F)(F)F)cc2)cc1 ZINC000238114273 659958245 /nfs/dbraw/zinc/95/82/45/659958245.db2.gz RSVFTUHXNJZYAY-UHFFFAOYSA-N 0 0 322.330 3.189 20 10 DGCDRN COc1cc(N(C)Cc2cccc(O)c2)cc(OC)c1OC ZINC000180757618 659969712 /nfs/dbraw/zinc/96/97/12/659969712.db2.gz UZDNXSDIVAPRKT-UHFFFAOYSA-N 0 0 303.358 3.054 20 10 DGCDRN CCS[C@@H]1CC[C@H](N(C)C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180827703 659972080 /nfs/dbraw/zinc/97/20/80/659972080.db2.gz HLIWZMDKTPQLOF-DBMMHUENSA-N 0 0 321.442 3.244 20 10 DGCDRN CC[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000180894609 659973805 /nfs/dbraw/zinc/97/38/05/659973805.db2.gz BKJMGGLCTQJNSB-SLZMIMFISA-N 0 0 311.381 3.421 20 10 DGCDRN Cc1cccc([C@H](C)CNC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000181116816 659980844 /nfs/dbraw/zinc/98/08/44/659980844.db2.gz WNGGNDWYJLGINM-RCQQVGEISA-N 0 0 311.381 3.339 20 10 DGCDRN C[C@@H](c1cccc(O)c1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181198081 659986339 /nfs/dbraw/zinc/98/63/39/659986339.db2.gz WLSBKIGIRAUXJH-CRALRDPISA-N 0 0 313.353 3.036 20 10 DGCDRN CCn1cc(C(=O)NCc2ccc(O)c(O)c2)c2ccccc21 ZINC000182549200 660061292 /nfs/dbraw/zinc/06/12/92/660061292.db2.gz KBRHRTVDMKHZAX-UHFFFAOYSA-N 0 0 310.353 3.002 20 10 DGCDRN C[C@@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)CCO1 ZINC000182971828 660094615 /nfs/dbraw/zinc/09/46/15/660094615.db2.gz FJNRAFXBADWDQD-OAHLLOKOSA-N 0 0 313.397 3.192 20 10 DGCDRN CCn1cc(N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000183374203 660109285 /nfs/dbraw/zinc/10/92/85/660109285.db2.gz OQSWBQZYWPUBLY-ZDUSSCGKSA-N 0 0 318.396 3.052 20 10 DGCDRN CC[C@H]1CCCC[C@H]1OCC(=O)NCc1cc(OC)ccc1O ZINC000184718133 660182856 /nfs/dbraw/zinc/18/28/56/660182856.db2.gz IZHVLBNIWYPWQV-SUMWQHHRSA-N 0 0 321.417 3.002 20 10 DGCDRN Cc1cc(Cl)nc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000929532975 661315599 /nfs/dbraw/zinc/31/55/99/661315599.db2.gz PSCLDGMIIBEFEN-UHFFFAOYSA-N 0 0 317.820 3.382 20 10 DGCDRN COc1nnc(CN(c2ccc(OC)c(F)c2)C(C)C)s1 ZINC000929951855 661353134 /nfs/dbraw/zinc/35/31/34/661353134.db2.gz VCLHYCMNJWAMPE-UHFFFAOYSA-N 0 0 311.382 3.109 20 10 DGCDRN Cc1c(NC(=O)N2Cc3cccc(O)c3C2)cnn1CC(C)C ZINC000930613800 661415702 /nfs/dbraw/zinc/41/57/02/661415702.db2.gz NXKWHWHDHJLWDY-UHFFFAOYSA-N 0 0 314.389 3.101 20 10 DGCDRN CO[C@@H]1Cc2ccc(NC(=O)N3Cc4cccc(O)c4C3)cc2C1 ZINC000930798161 661431012 /nfs/dbraw/zinc/43/10/12/661431012.db2.gz WKBFWSLKWZKAFY-MRXNPFEDSA-N 0 0 324.380 3.054 20 10 DGCDRN CO[C@H]1Cc2ccc(NC(=O)N3Cc4cccc(O)c4C3)cc2C1 ZINC000930798160 661431023 /nfs/dbraw/zinc/43/10/23/661431023.db2.gz WKBFWSLKWZKAFY-INIZCTEOSA-N 0 0 324.380 3.054 20 10 DGCDRN O=C(Nc1ccc([C@H]2CCOC2)cc1)N1Cc2cccc(O)c2C1 ZINC000931563172 661489134 /nfs/dbraw/zinc/48/91/34/661489134.db2.gz SLOIPRIYZMNAFR-HNNXBMFYSA-N 0 0 324.380 3.444 20 10 DGCDRN Cc1cc(Nc2nc(-c3ccc(O)c(O)c3)cs2)n(C)n1 ZINC000932728766 661593828 /nfs/dbraw/zinc/59/38/28/661593828.db2.gz QEKFBCSUHBWVBK-UHFFFAOYSA-N 0 0 302.359 3.007 20 10 DGCDRN COc1cccc(CNC(=O)Nc2c(C)noc2C(C)C)c1O ZINC000932867008 661603987 /nfs/dbraw/zinc/60/39/87/661603987.db2.gz FAWGCBMVOXAIRC-UHFFFAOYSA-N 0 0 319.361 3.142 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2c(C)noc2C(C)C)c1 ZINC000932872793 661604789 /nfs/dbraw/zinc/60/47/89/661604789.db2.gz IKGUDMITWMHSQE-UHFFFAOYSA-N 0 0 319.361 3.142 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@H]1CC[C@H](C2CC2)O1 ZINC000932943234 661611226 /nfs/dbraw/zinc/61/12/26/661611226.db2.gz JSVCQPATGHVCSY-QZTJIDSGSA-N 0 0 316.445 3.025 20 10 DGCDRN CCc1nc(OC)ccc1NC(=O)N(C)Cc1ccccc1O ZINC000933943027 661667678 /nfs/dbraw/zinc/66/76/78/661667678.db2.gz CCILOHAUSWRODP-UHFFFAOYSA-N 0 0 315.373 3.022 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)Nc1ccnn1C1CCC1 ZINC000934729433 661730688 /nfs/dbraw/zinc/73/06/88/661730688.db2.gz YQIZBSMCSCHACI-UHFFFAOYSA-N 0 0 320.780 3.289 20 10 DGCDRN COc1cccc(CNC(=O)N[C@H](C)C2CCCCC2)c1O ZINC000074505327 661746689 /nfs/dbraw/zinc/74/66/89/661746689.db2.gz PGNRUXXEHAAREZ-GFCCVEGCSA-N 0 0 306.406 3.169 20 10 DGCDRN Cc1oc(C(C)(C)C)cc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000934939768 661750107 /nfs/dbraw/zinc/75/01/07/661750107.db2.gz VTWHUWCNTOBESB-UHFFFAOYSA-N 0 0 317.385 3.269 20 10 DGCDRN C[C@]1(C(=O)NCc2cccc(Br)c2O)C=CCC1 ZINC000935662435 661800494 /nfs/dbraw/zinc/80/04/94/661800494.db2.gz FKVCYHQLMCTCQK-AWEZNQCLSA-N 0 0 310.191 3.127 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(F)cc2C)c1 ZINC000155478239 661847547 /nfs/dbraw/zinc/84/75/47/661847547.db2.gz UWWXYSLUZOQASC-NSHDSACASA-N 0 0 303.333 3.339 20 10 DGCDRN COc1cc(F)c(NC(=O)N(C)Cc2ccccc2O)cc1F ZINC000155629261 661849895 /nfs/dbraw/zinc/84/98/95/661849895.db2.gz ARVQNIDEMRVHIA-UHFFFAOYSA-N 0 0 322.311 3.343 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)CCc1cccc(F)c1F ZINC000155929463 661855072 /nfs/dbraw/zinc/85/50/72/661855072.db2.gz SZBVTEPJBDWLRN-UHFFFAOYSA-N 0 0 305.324 3.262 20 10 DGCDRN COc1cccc(CNC(=O)Cc2c[nH]c3c2cccc3C)c1O ZINC000156156930 661859028 /nfs/dbraw/zinc/85/90/28/661859028.db2.gz YLHXAYJUMGGGDM-UHFFFAOYSA-N 0 0 324.380 3.049 20 10 DGCDRN CCSCc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000158973258 661881114 /nfs/dbraw/zinc/88/11/14/661881114.db2.gz HQFNFQAVVPFOLU-UHFFFAOYSA-N 0 0 317.410 3.281 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCCc1cscn1 ZINC000159612312 661891620 /nfs/dbraw/zinc/89/16/20/661891620.db2.gz UVZOEVSRPAZFAA-UHFFFAOYSA-N 0 0 319.430 3.013 20 10 DGCDRN O=C1NC(=S)S/C1=C\c1ccc(OCC(F)(F)F)cc1 ZINC000049391055 661901472 /nfs/dbraw/zinc/90/14/72/661901472.db2.gz PMPXKQGGSHEKPQ-UITAMQMPSA-N 0 0 319.329 3.117 20 10 DGCDRN COc1ccc(N(Cc2cccs2)C[C@@H](O)CSC)cc1 ZINC000188050290 661912836 /nfs/dbraw/zinc/91/28/36/661912836.db2.gz NAUZRYOLFQZTMX-CQSZACIVSA-N 0 0 323.483 3.487 20 10 DGCDRN Cn1ccc2cccc(NC(=O)/C=C/c3ccc(O)c(O)c3)c21 ZINC000188132468 661916877 /nfs/dbraw/zinc/91/68/77/661916877.db2.gz HMXQHSGEUMSQOU-SOFGYWHQSA-N 0 0 308.337 3.241 20 10 DGCDRN CC(C)c1cc(C(=O)NCc2c(O)ccc3c2CCCC3)[nH]n1 ZINC000075159556 661918196 /nfs/dbraw/zinc/91/81/96/661918196.db2.gz UEWVTFKUFNQAEF-UHFFFAOYSA-N 0 0 313.401 3.048 20 10 DGCDRN C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1cccc(O)c1O ZINC000188154350 661918763 /nfs/dbraw/zinc/91/87/63/661918763.db2.gz CIBUXQAOXMXLKX-SECBINFHSA-N 0 0 307.296 3.209 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1c[nH]nc1-c1ccsc1 ZINC000188503912 661933284 /nfs/dbraw/zinc/93/32/84/661933284.db2.gz SHGNJQOSHCUDRV-UHFFFAOYSA-N 0 0 313.382 3.116 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000075499352 661933576 /nfs/dbraw/zinc/93/35/76/661933576.db2.gz YQMLAWXGSZZGBB-WBVHZDCISA-N 0 0 301.434 3.227 20 10 DGCDRN COc1cccc2cc(C(=O)N(C)Cc3ccccc3O)oc21 ZINC000077258396 662018376 /nfs/dbraw/zinc/01/83/76/662018376.db2.gz TWQCXEKTEPETIT-UHFFFAOYSA-N 0 0 311.337 3.419 20 10 DGCDRN CO[C@@H](C)[C@H](C)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000190340001 662028853 /nfs/dbraw/zinc/02/88/53/662028853.db2.gz PFNZCSAQFNVQRV-JSGCOSHPSA-N 0 0 318.392 3.386 20 10 DGCDRN CC(C)Oc1ccc(N(C)CC(=O)NCc2ccccc2)cc1 ZINC000191596348 662073701 /nfs/dbraw/zinc/07/37/01/662073701.db2.gz LOPZFKZXXXSSMD-UHFFFAOYSA-N 0 0 312.413 3.226 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C\c1cccc(F)c1F ZINC000078561229 662075581 /nfs/dbraw/zinc/07/55/81/662075581.db2.gz ICCSBFQUMXTJFV-XFXZXTDPSA-N 0 0 308.353 3.421 20 10 DGCDRN O=C(Nc1cccc(CC(F)(F)F)c1)c1cccc(O)c1O ZINC000193106266 662123263 /nfs/dbraw/zinc/12/32/63/662123263.db2.gz QAKWOZRRPOMECV-UHFFFAOYSA-N 0 0 311.259 3.455 20 10 DGCDRN COc1ccc2ccc(O)c(CN3CCO[C@@H](C(F)F)C3)c2c1 ZINC000193441978 662134211 /nfs/dbraw/zinc/13/42/11/662134211.db2.gz UMWKRCOIKNCXCU-MRXNPFEDSA-N 0 0 323.339 3.020 20 10 DGCDRN CC(=O)c1ccccc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000081305664 662164511 /nfs/dbraw/zinc/16/45/11/662164511.db2.gz ICNQGHFURQXLJR-UHFFFAOYSA-N 0 0 322.408 3.202 20 10 DGCDRN COC[C@H](C)CNC(=O)c1sccc1-n1c(C)ccc1C ZINC000195698865 662192748 /nfs/dbraw/zinc/19/27/48/662192748.db2.gz XIBAHLLKUDPYFK-LLVKDONJSA-N 0 0 306.431 3.168 20 10 DGCDRN COCCN(Cc1ccccc1)c1ccc(OC)c(OC)c1 ZINC000083212136 662194423 /nfs/dbraw/zinc/19/44/23/662194423.db2.gz RRGBPYHDAHOEET-UHFFFAOYSA-N 0 0 301.386 3.357 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C[C@H]2CCCCO2)cc1F ZINC000087334494 662225686 /nfs/dbraw/zinc/22/56/86/662225686.db2.gz DBFCWLFYTLPPQN-OAHLLOKOSA-N 0 0 322.424 3.247 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000245505003 662233848 /nfs/dbraw/zinc/23/38/48/662233848.db2.gz LIRHKOLVWPPFIB-MIFYACCESA-N 0 0 320.433 3.270 20 10 DGCDRN CC[C@H]1CN(Cc2cc(Br)ccc2O)C[C@@H](C)O1 ZINC000245559171 662235987 /nfs/dbraw/zinc/23/59/87/662235987.db2.gz LJWNGPQPPDATNA-MFKMUULPSA-N 0 0 314.223 3.154 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2CCC(F)(F)CC2)c1 ZINC000089487136 662243985 /nfs/dbraw/zinc/24/39/85/662243985.db2.gz QEKNRUZXXOFEHG-SNVBAGLBSA-N 0 0 313.344 3.404 20 10 DGCDRN O=C(c1cccs1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000247903715 662329607 /nfs/dbraw/zinc/32/96/07/662329607.db2.gz LIQZDPHJVNBJLQ-AWEZNQCLSA-N 0 0 317.410 3.275 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@@H](C)[C@H](C)C2)c1 ZINC000248651150 662356509 /nfs/dbraw/zinc/35/65/09/662356509.db2.gz UVPMVIQJSLLUAB-YRGRVCCFSA-N 0 0 306.406 3.025 20 10 DGCDRN CC/C=C(/C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000145631168 685087214 /nfs/dbraw/zinc/08/72/14/685087214.db2.gz SZBKSBMBIHSHBO-AGKVCYSUSA-N 0 0 302.418 3.057 20 10 DGCDRN O=C1Nc2ccc(F)cc2/C1=C/c1ccc(N2CCOCC2)cc1 ZINC000255108512 685120703 /nfs/dbraw/zinc/12/07/03/685120703.db2.gz SQNFVEJULQSIHN-BOPFTXTBSA-N 0 0 324.355 3.155 20 10 DGCDRN C[C@H](CN(C)Cc1ccccc1)[NH2+]Cc1cc(F)ccc1O ZINC000381075803 685154928 /nfs/dbraw/zinc/15/49/28/685154928.db2.gz RAFZWXORZUEIDM-CQSZACIVSA-N 0 0 302.393 3.141 20 10 DGCDRN [O-]c1c(Br)cccc1C[NH2+]C[C@@H]1CCCSC1 ZINC000384174720 685171047 /nfs/dbraw/zinc/17/10/47/685171047.db2.gz VDXOJAOEMFUHRK-JTQLQIEISA-N 0 0 316.264 3.388 20 10 DGCDRN COc1ccccc1NC[C@@H](O)COCc1ccc(Cl)cc1 ZINC000386773039 685180048 /nfs/dbraw/zinc/18/00/48/685180048.db2.gz HZKNIRJBVDMCKJ-OAHLLOKOSA-N 0 0 321.804 3.338 20 10 DGCDRN C[C@H](CCOCc1ccccc1)NC(=O)Nc1ccc(N)cc1 ZINC000390116262 685198713 /nfs/dbraw/zinc/19/87/13/685198713.db2.gz CMEKDWRPJFAIPL-CQSZACIVSA-N 0 0 313.401 3.386 20 10 DGCDRN C[C@@H](CNC(=O)Nc1ccc(N)cc1)COCc1ccccc1 ZINC000390140211 685199822 /nfs/dbraw/zinc/19/98/22/685199822.db2.gz OFLAYMQYNVXYGM-AWEZNQCLSA-N 0 0 313.401 3.243 20 10 DGCDRN C[C@H](CNC(=O)Nc1ccc(N)cc1)COCc1ccccc1 ZINC000390140212 685200094 /nfs/dbraw/zinc/20/00/94/685200094.db2.gz OFLAYMQYNVXYGM-CQSZACIVSA-N 0 0 313.401 3.243 20 10 DGCDRN CCN(CCCCCCc1c[nH]nn1)c1ccc(OC)cc1 ZINC001576521874 1191838015 /nfs/dbraw/zinc/83/80/15/1191838015.db2.gz JFVZDXIAYKJUNK-UHFFFAOYSA-N 0 0 302.422 3.443 20 10 DGCDRN CCc1ccccc1[C@@H](N)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001578275298 1191936687 /nfs/dbraw/zinc/93/66/87/1191936687.db2.gz HLOXUUDQJADQTK-INIZCTEOSA-N 0 0 306.356 3.022 20 10 DGCDRN Cc1nn(-c2cccc(F)c2)cc1C(=O)Nc1ccc(N)cc1 ZINC001579886219 1191998068 /nfs/dbraw/zinc/99/80/68/1191998068.db2.gz HPTWJWOQAKGQLN-UHFFFAOYSA-N 0 0 310.332 3.154 20 10 DGCDRN Nc1ccc(CC(=O)Nc2ccc(-c3ccccc3F)nn2)cc1 ZINC001580443342 1192027239 /nfs/dbraw/zinc/02/72/39/1192027239.db2.gz YLGMUUPVPXSYQS-UHFFFAOYSA-N 0 0 322.343 3.046 20 10 DGCDRN CCc1ccc(N(CC2CC2)C(=O)/C=C/c2cn(C)cn2)cc1 ZINC001583189313 1192137603 /nfs/dbraw/zinc/13/76/03/1192137603.db2.gz WNVFQNSZYWQJKK-DHZHZOJOSA-N 0 0 309.413 3.439 20 10 DGCDRN COC(=O)C1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCCC1 ZINC001661892076 1196659754 /nfs/dbraw/zinc/65/97/54/1196659754.db2.gz SXIDEJDLVYXMQR-UHFFFAOYSA-N 0 0 315.772 3.008 20 10 DGCDRN Cn1cc(C(=O)NCc2cc(Cl)ccc2O)c2ccccc21 ZINC001583817378 1192161317 /nfs/dbraw/zinc/16/13/17/1192161317.db2.gz RYFHATKAMZYMEV-UHFFFAOYSA-N 0 0 314.772 3.467 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC001584094302 1192177626 /nfs/dbraw/zinc/17/76/26/1192177626.db2.gz FGOJOSHLMIJDNU-YFYRFGBOSA-N 0 0 314.473 3.400 20 10 DGCDRN CCCCCC[C@@H](O)CCC(=O)NCc1cc(C)ccc1O ZINC001584989089 1192234347 /nfs/dbraw/zinc/23/43/47/1192234347.db2.gz PIVORGWJYIVUPG-MRXNPFEDSA-N 0 0 307.434 3.428 20 10 DGCDRN COCC[C@@H](C)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001585074140 1192239524 /nfs/dbraw/zinc/23/95/24/1192239524.db2.gz JTXZLIHKQDNXMB-CQSZACIVSA-N 0 0 314.429 3.497 20 10 DGCDRN Cc1ncccc1/C=C/C(=O)Nc1c2nonc2ccc1Cl ZINC001586677220 1192343281 /nfs/dbraw/zinc/34/32/81/1192343281.db2.gz PETRAUIRLOAQDJ-QPJJXVBHSA-N 0 0 314.732 3.232 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(Cn2cccn2)cc1)c1ccccc1O ZINC001587444748 1192399994 /nfs/dbraw/zinc/39/99/94/1192399994.db2.gz NRLKYIGEIJVWEA-CQSZACIVSA-N 0 0 321.380 3.128 20 10 DGCDRN COc1cc(C(=O)N[C@@H](C)c2ccccc2O)c2ccccc2n1 ZINC001587451264 1192400541 /nfs/dbraw/zinc/40/05/41/1192400541.db2.gz NXRBLKZFSCMAFG-LBPRGKRZSA-N 0 0 322.364 3.440 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccc(CO)cc1 ZINC001587547623 1192406201 /nfs/dbraw/zinc/40/62/01/1192406201.db2.gz OPTYHBRWRYYSEZ-UHFFFAOYSA-N 0 0 324.424 3.051 20 10 DGCDRN O=C(c1ncsc1C(F)(F)F)N1Cc2cccc(O)c2C1 ZINC001587927810 1192425698 /nfs/dbraw/zinc/42/56/98/1192425698.db2.gz BSBLPHQHZAANSC-UHFFFAOYSA-N 0 0 314.288 3.024 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC001593872968 1192641081 /nfs/dbraw/zinc/64/10/81/1192641081.db2.gz IOSQOZICKDGRTF-DAXOMENPSA-N 0 0 303.402 3.321 20 10 DGCDRN CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001595332134 1192655231 /nfs/dbraw/zinc/65/52/31/1192655231.db2.gz AKJXNWFPOYOGMX-ZIAGYGMSSA-N 0 0 305.418 3.361 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001596906785 1192710043 /nfs/dbraw/zinc/71/00/43/1192710043.db2.gz JYSCKTKTBQESNC-UHFFFAOYSA-N 0 0 324.695 3.023 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1ccc(OC2CCC2)cc1 ZINC001596912657 1192710226 /nfs/dbraw/zinc/71/02/26/1192710226.db2.gz QKBKYTLNKRNNCR-UHFFFAOYSA-N 0 0 315.344 3.393 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@H]1C[C@H]1c1cccc(F)c1F ZINC001596911008 1192710286 /nfs/dbraw/zinc/71/02/86/1192710286.db2.gz CIFWHPLMMGRSAC-QWRGUYRKSA-N 0 0 321.298 3.229 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H]1COC[C@@H]1C ZINC001597046182 1192717180 /nfs/dbraw/zinc/71/71/80/1192717180.db2.gz XYUOVKOVZRDNIM-SUMWQHHRSA-N 0 0 312.413 3.167 20 10 DGCDRN O=C(Nc1nc2c(s1)CCCCCC2)c1cccc(O)c1O ZINC001597458575 1192734018 /nfs/dbraw/zinc/73/40/18/1192734018.db2.gz BPBLKQMSZTVHKJ-UHFFFAOYSA-N 0 0 318.398 3.466 20 10 DGCDRN O=C(NCc1c(O)cccc1O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001597568900 1192738114 /nfs/dbraw/zinc/73/81/14/1192738114.db2.gz KEGUFMOPBPINCA-UWVGGRQHSA-N 0 0 317.307 3.083 20 10 DGCDRN CC(C)c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1C[C@H]1C ZINC001598420786 1192773409 /nfs/dbraw/zinc/77/34/09/1192773409.db2.gz YEZJIOBYYGNMGD-HIFRSBDPSA-N 0 0 314.433 3.400 20 10 DGCDRN CCCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1O ZINC001745666852 1176955806 /nfs/dbraw/zinc/95/58/06/1176955806.db2.gz UJBSADXRFTVASM-UHFFFAOYSA-N 0 0 311.389 3.025 20 10 DGCDRN Cc1cc([C@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)c(C)o1 ZINC000588404596 1177220338 /nfs/dbraw/zinc/22/03/38/1177220338.db2.gz DGPAWKHTPNBZKL-XOIDGJRKSA-N 0 0 301.342 3.198 20 10 DGCDRN Cc1cc(C[NH2+]C(C)(C)CC(=O)[O-])ccc1N1CCCCC1 ZINC001600206386 1192808845 /nfs/dbraw/zinc/80/88/45/1192808845.db2.gz VBSLQGHEILAQQL-UHFFFAOYSA-N 0 0 304.434 3.328 20 10 DGCDRN CC[C@@H](CC(F)F)C(=O)Nc1c2nonc2ccc1Cl ZINC001331138595 1178141878 /nfs/dbraw/zinc/14/18/78/1178141878.db2.gz JGFDWGDTMBIHCS-LURJTMIESA-N 0 0 303.696 3.496 20 10 DGCDRN CCOc1ccc(N2CCN(c3cc(C4CC4)ncn3)CC2)cc1 ZINC001331323005 1178184735 /nfs/dbraw/zinc/18/47/35/1178184735.db2.gz XAFBTGVQHPZPTB-UHFFFAOYSA-N 0 0 324.428 3.079 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2coc(C(F)F)c2)cc1F ZINC001331334966 1178188682 /nfs/dbraw/zinc/18/86/82/1178188682.db2.gz RXZMXALSISHFMQ-UHFFFAOYSA-N 0 0 312.291 3.352 20 10 DGCDRN COc1cc(C)cc(CNc2ccc(C(=O)N(C)C)cc2)c1O ZINC001331549019 1178243312 /nfs/dbraw/zinc/24/33/12/1178243312.db2.gz MZFTZQUYTKRTLP-UHFFFAOYSA-N 0 0 314.385 3.023 20 10 DGCDRN C[C@@H](NC(=O)N[C@H]1CCc2cc(N)ccc21)c1ccccc1O ZINC001332542101 1178461988 /nfs/dbraw/zinc/46/19/88/1178461988.db2.gz IMEOOQJMPBANML-BZNIZROVSA-N 0 0 311.385 3.022 20 10 DGCDRN Nc1ccc(CN2CCO[C@H](c3cccc(Cl)c3)C2)cc1 ZINC001334774788 1178794788 /nfs/dbraw/zinc/79/47/88/1178794788.db2.gz OCPLWFMMERIERK-KRWDZBQOSA-N 0 0 302.805 3.496 20 10 DGCDRN O=C(NCCCSc1nccs1)c1cccc2c1CCN2 ZINC001341454467 1179011445 /nfs/dbraw/zinc/01/14/45/1179011445.db2.gz VPRBEEGTHCJFOS-UHFFFAOYSA-N 0 0 319.455 3.023 20 10 DGCDRN CC(C)Cn1c(C2SC=CC2=O)nnc1N(C)CCCF ZINC001342943386 1179213757 /nfs/dbraw/zinc/21/37/57/1179213757.db2.gz SHZVAHDNTKOHOF-UHFFFAOYSA-N 0 0 312.414 3.164 20 10 DGCDRN CCn1nc(C(C)C)cc1C(=O)NCc1cccc(Cl)c1O ZINC001343498595 1179286069 /nfs/dbraw/zinc/28/60/69/1179286069.db2.gz RIXLFJGIINBRHN-UHFFFAOYSA-N 0 0 321.808 3.315 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)c1c(F)cccc1F ZINC001344042968 1179368434 /nfs/dbraw/zinc/36/84/34/1179368434.db2.gz SLYXZBCXZKXMIK-UHFFFAOYSA-N 0 0 309.659 3.407 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1C[C@H]1c1ccncc1 ZINC001346273247 1179678586 /nfs/dbraw/zinc/67/85/86/1179678586.db2.gz QJMYLCCTVSGKMB-RBUKOAKNSA-N 0 0 321.424 3.102 20 10 DGCDRN CC(C)Oc1ccccc1CNC(=O)NCc1ccc(N)cc1 ZINC001346632082 1179728589 /nfs/dbraw/zinc/72/85/89/1179728589.db2.gz ACAMFERKQWUKTL-UHFFFAOYSA-N 0 0 313.401 3.055 20 10 DGCDRN C[C@H]1[C@H](c2ccccc2)CCN1C(=O)NCc1ccc(N)cc1 ZINC001346738261 1179741335 /nfs/dbraw/zinc/74/13/35/1179741335.db2.gz FSZDHQRVCSNAEQ-KBXCAEBGSA-N 0 0 309.413 3.356 20 10 DGCDRN O=C([O-])c1ccc2c(c1)C[N@H+](Cc1cc(Cl)ccc1O)CC2 ZINC001602421992 1192978744 /nfs/dbraw/zinc/97/87/44/1192978744.db2.gz QIBSCGGGCDGFMD-UHFFFAOYSA-N 0 0 317.772 3.302 20 10 DGCDRN CCc1ccc(F)cc1C(=O)NCc1ccc(N(C)C)cc1 ZINC001348912196 1179849985 /nfs/dbraw/zinc/84/99/85/1179849985.db2.gz VLFQCXYOTNZPSB-UHFFFAOYSA-N 0 0 300.377 3.384 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCC[C@H](F)C1 ZINC001348976923 1179859629 /nfs/dbraw/zinc/85/96/29/1179859629.db2.gz CICAMTFGIITISI-KBPBESRZSA-N 0 0 305.393 3.416 20 10 DGCDRN CCOC(=O)[C@H](CC1CC1)NCc1ccc(N2CCCC2)cc1 ZINC001349624827 1179924092 /nfs/dbraw/zinc/92/40/92/1179924092.db2.gz LLDOAMLZQYFRPI-SFHVURJKSA-N 0 0 316.445 3.108 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)C(C)(C)C(F)(F)F ZINC001349835949 1179960921 /nfs/dbraw/zinc/96/09/21/1179960921.db2.gz ROIOTWAYKHTOSS-UHFFFAOYSA-N 0 0 310.312 3.083 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cnoc2C(C)C)c1 ZINC001351666641 1180235283 /nfs/dbraw/zinc/23/52/83/1180235283.db2.gz MWHQBTCDLZQGTJ-JTQLQIEISA-N 0 0 304.346 3.003 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc3cnccc3c2)cc1 ZINC001353502582 1180573464 /nfs/dbraw/zinc/57/34/64/1180573464.db2.gz AGBWFGUQIBHOEZ-UHFFFAOYSA-N 0 0 305.381 3.231 20 10 DGCDRN Nc1ccc(CNC(=O)N2CCC[C@@H](C3CCC3)CC2)cc1 ZINC001353531312 1180580965 /nfs/dbraw/zinc/58/09/65/1180580965.db2.gz CYHYBJBHHFJWNU-MRXNPFEDSA-N 0 0 301.434 3.381 20 10 DGCDRN CSc1cccnc1C(=O)NCc1cc(Cl)ccc1O ZINC001300395771 1180639496 /nfs/dbraw/zinc/63/94/96/1180639496.db2.gz DIZMMWVDMVRFEX-UHFFFAOYSA-N 0 0 308.790 3.093 20 10 DGCDRN CC(C)c1ccc(O)c(C[NH2+]Cc2ccc(CC(=O)[O-])cc2)c1 ZINC001604002584 1193043354 /nfs/dbraw/zinc/04/33/54/1193043354.db2.gz HDOVLXOBQCQEGE-UHFFFAOYSA-N 0 0 313.397 3.433 20 10 DGCDRN CC(C)[C@H](NC(=O)c1cccc(O)c1O)c1ccccc1F ZINC001300454916 1180688988 /nfs/dbraw/zinc/68/89/88/1180688988.db2.gz DSBHJBQFWFFDNL-HNNXBMFYSA-N 0 0 303.333 3.364 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](C)c1nccs1)c1cc(C(=O)[O-])ccc1O ZINC001604186072 1193058622 /nfs/dbraw/zinc/05/86/22/1193058622.db2.gz VVUCWVQTGNUWKT-VHSXEESVSA-N 0 0 306.387 3.001 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)c1c(F)cncc1F ZINC001604322982 1193064772 /nfs/dbraw/zinc/06/47/72/1193064772.db2.gz STGCDZMNSBTXAE-DTWKUNHWSA-N 0 0 322.311 3.175 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc2ccccc2n1)c1cc(C(=O)[O-])ccc1O ZINC001604347014 1193067558 /nfs/dbraw/zinc/06/75/58/1193067558.db2.gz XGAPGWGTIDFSCD-GFCCVEGCSA-N 0 0 322.364 3.489 20 10 DGCDRN CCC1(CC)CCN(c2nnc(C3SC=CC3=O)n2C)C1 ZINC001355344766 1181040630 /nfs/dbraw/zinc/04/06/30/1181040630.db2.gz OXWCSPCROAEBEL-UHFFFAOYSA-N 0 0 306.435 3.266 20 10 DGCDRN C[C@@H](NC(=O)N[C@H]1CCOCC12CCCC2)c1ccccc1O ZINC001355853582 1181104136 /nfs/dbraw/zinc/10/41/36/1181104136.db2.gz RZIIDTOCTCSMNU-CJNGLKHVSA-N 0 0 318.417 3.102 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Cc2ccc(F)c(Cl)c2)cc1 ZINC001355878898 1181109076 /nfs/dbraw/zinc/10/90/76/1181109076.db2.gz NJKIORJHRNKFCD-UHFFFAOYSA-N 0 0 320.795 3.404 20 10 DGCDRN CC(C)CO[C@H](C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001356266059 1181166655 /nfs/dbraw/zinc/16/66/55/1181166655.db2.gz IMXCPKWVHJQOTG-MRXNPFEDSA-N 0 0 318.461 3.306 20 10 DGCDRN CC1(C)C[C@@H]1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001357322737 1181387618 /nfs/dbraw/zinc/38/76/18/1181387618.db2.gz FRDOEAJSXFENBL-MRXNPFEDSA-N 0 0 319.360 3.447 20 10 DGCDRN CC1(C)C[C@@H](NC(=O)NCc2ccc(N)cc2)c2ccccc21 ZINC001357667240 1181417160 /nfs/dbraw/zinc/41/71/60/1181417160.db2.gz BMZUGWPMUAAJBD-QGZVFWFLSA-N 0 0 309.413 3.491 20 10 DGCDRN Cc1cc(F)ccc1C[C@H](C)NC(=O)NCc1ccc(N)cc1 ZINC001357791433 1181428115 /nfs/dbraw/zinc/42/81/15/1181428115.db2.gz MBDFDIWWQHNIIP-ZDUSSCGKSA-N 0 0 315.392 3.147 20 10 DGCDRN CC(C)Cn1c(C(F)F)nnc1N(C)Cc1ccccc1O ZINC001358066546 1181452470 /nfs/dbraw/zinc/45/24/70/1181452470.db2.gz HQHPJNXOSBMJJG-UHFFFAOYSA-N 0 0 310.348 3.214 20 10 DGCDRN CCO[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)C1CCCC1 ZINC001434913865 1181778392 /nfs/dbraw/zinc/77/83/92/1181778392.db2.gz CNHSUDVEHGPITN-QGZVFWFLSA-N 0 0 322.424 3.103 20 10 DGCDRN CCCC[C@H](O)CCC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC001442341293 1182080700 /nfs/dbraw/zinc/08/07/00/1182080700.db2.gz GSVXYLBBVBUDGU-SFHVURJKSA-N 0 0 320.477 3.432 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cc(C=O)sc1Cl ZINC001445648172 1182152439 /nfs/dbraw/zinc/15/24/39/1182152439.db2.gz LNZDXQZXDJDTKX-UHFFFAOYSA-N 0 0 309.774 3.192 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)C1(c2cccnc2)CC1 ZINC001445899475 1182157717 /nfs/dbraw/zinc/15/77/17/1182157717.db2.gz FGNAEOXTKIFZEB-UHFFFAOYSA-N 0 0 322.408 3.014 20 10 DGCDRN CCc1c2ccccc2oc1C(=O)NCc1ccc(O)c(O)c1 ZINC001445901285 1182157858 /nfs/dbraw/zinc/15/78/58/1182157858.db2.gz MASGLMHARULULC-UHFFFAOYSA-N 0 0 311.337 3.336 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)/C(C)=C/c2ccccn2)c1 ZINC001445971232 1182158480 /nfs/dbraw/zinc/15/84/80/1182158480.db2.gz ULDSCMFVZAYXMD-XSNHNAGMSA-N 0 0 312.369 3.077 20 10 DGCDRN CC[C@@H]1CCCC[C@@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001450416431 1182249365 /nfs/dbraw/zinc/24/93/65/1182249365.db2.gz ULCMPXCTXFXOEE-QSTFCLMHSA-N 0 0 303.402 3.444 20 10 DGCDRN C[C@H](C(=O)NCc1ccc2cccnc2c1O)c1ccccc1 ZINC001451952452 1182277685 /nfs/dbraw/zinc/27/76/85/1182277685.db2.gz ITVKWXNOJJGWMK-ZDUSSCGKSA-N 0 0 306.365 3.360 20 10 DGCDRN Cc1cc(C)cc(-c2cc(NC(=O)c3cccc(O)c3O)n[nH]2)c1 ZINC001452321258 1182286235 /nfs/dbraw/zinc/28/62/35/1182286235.db2.gz PXUJPXGNNVTHPE-UHFFFAOYSA-N 0 0 323.352 3.357 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)C(C)=C2CCCC2)cc1 ZINC001452834935 1182302718 /nfs/dbraw/zinc/30/27/18/1182302718.db2.gz KOIWTTNBUQPIAP-UHFFFAOYSA-N 0 0 316.445 3.480 20 10 DGCDRN CO/C(=C\c1ccccc1)C(=O)NCc1cc(Cl)ccc1O ZINC001452934732 1182305653 /nfs/dbraw/zinc/30/56/53/1182305653.db2.gz DCNQJEISRLUDIK-SXGWCWSVSA-N 0 0 317.772 3.349 20 10 DGCDRN CC[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(C)c(O)c1O ZINC001453231979 1182312270 /nfs/dbraw/zinc/31/22/70/1182312270.db2.gz UCPBHMCXOADVQE-CQSZACIVSA-N 0 0 317.360 3.296 20 10 DGCDRN C[C@H](NC(=O)c1cnn(-c2ccccc2)c1)c1ccccc1O ZINC001454817800 1182353279 /nfs/dbraw/zinc/35/32/79/1182353279.db2.gz MAERXDAMBRGQOB-ZDUSSCGKSA-N 0 0 307.353 3.069 20 10 DGCDRN COc1ccc2cc(C(=O)N[C@@H](C)c3ccccc3O)cnc2c1 ZINC001454819294 1182353630 /nfs/dbraw/zinc/35/36/30/1182353630.db2.gz QEJMMGRWXVLXNN-LBPRGKRZSA-N 0 0 322.364 3.440 20 10 DGCDRN O=C(c1csc(-c2ccoc2)n1)N1Cc2cccc(O)c2C1 ZINC001455037370 1182358690 /nfs/dbraw/zinc/35/86/90/1182358690.db2.gz QKJPUDUDTOEWFI-UHFFFAOYSA-N 0 0 312.350 3.265 20 10 DGCDRN O=C(Cc1coc2cc(F)ccc12)N1Cc2cccc(O)c2C1 ZINC001455036584 1182359091 /nfs/dbraw/zinc/35/90/91/1182359091.db2.gz HOGDRJMBOFRWSA-UHFFFAOYSA-N 0 0 311.312 3.362 20 10 DGCDRN O=C(CCCc1ccc(F)c(F)c1)NCc1cc(O)ccc1O ZINC001455356042 1182367344 /nfs/dbraw/zinc/36/73/44/1182367344.db2.gz GRHZKRKGLANTNS-UHFFFAOYSA-N 0 0 321.323 3.015 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001455355571 1182367453 /nfs/dbraw/zinc/36/74/53/1182367453.db2.gz CWOQOUCLMHAYPD-MWLCHTKSSA-N 0 0 317.307 3.083 20 10 DGCDRN O=C(NCC[C@@H]1CC[C@H]2C[C@H]21)c1cc2cc(O)c(O)cc2s1 ZINC001455845385 1182386409 /nfs/dbraw/zinc/38/64/09/1182386409.db2.gz AFJCYCSINDXFFG-NHCYSSNCSA-N 0 0 317.410 3.479 20 10 DGCDRN C[C@@H]1CCc2sc(C(=O)NCc3c(O)cccc3O)cc2C1 ZINC001456238138 1182406967 /nfs/dbraw/zinc/40/69/67/1182406967.db2.gz YDRUGFBTHYUSNR-SNVBAGLBSA-N 0 0 317.410 3.214 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cc(F)c(O)cc1Cl ZINC001456603883 1182425016 /nfs/dbraw/zinc/42/50/16/1182425016.db2.gz FRMYWGPMLJWFHP-DUXPYHPUSA-N 0 0 323.707 3.248 20 10 DGCDRN CCCCC1(C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC001458040320 1182491139 /nfs/dbraw/zinc/49/11/39/1182491139.db2.gz JEPASKQUFYVCDR-UHFFFAOYSA-N 0 0 316.445 3.314 20 10 DGCDRN COC(=O)COc1ccc(N(C)C[C@H]2CCCC(C)(C)O2)cc1 ZINC001459939666 1182631234 /nfs/dbraw/zinc/63/12/34/1182631234.db2.gz YRRDEHOCIFHNGC-MRXNPFEDSA-N 0 0 321.417 3.022 20 10 DGCDRN COc1cc2c(c(OC)c1)N(C[C@H]1CC(C)(C)CO1)CCC2 ZINC001460245962 1182667903 /nfs/dbraw/zinc/66/79/03/1182667903.db2.gz BRLQPAIIBIAPAJ-OAHLLOKOSA-N 0 0 305.418 3.272 20 10 DGCDRN COC(=O)CCCN1C[C@@H](C(C)C)Cc2cc(OC)ccc21 ZINC001460285735 1182672982 /nfs/dbraw/zinc/67/29/82/1182672982.db2.gz OLLRULBVRSEECS-HNNXBMFYSA-N 0 0 305.418 3.283 20 10 DGCDRN CCc1cccc(C[NH2+][C@](C)(C(=O)[O-])c2ccc(F)cc2)c1O ZINC001605828804 1193176945 /nfs/dbraw/zinc/17/69/45/1193176945.db2.gz NLNHKDOKKMSYAH-SFHVURJKSA-N 0 0 317.360 3.183 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCCOCC(F)(F)F ZINC001461161639 1182776637 /nfs/dbraw/zinc/77/66/37/1182776637.db2.gz QRIDYOJOXAYSOP-UHFFFAOYSA-N 0 0 315.694 3.243 20 10 DGCDRN Cc1ccc(O[C@@H](C)C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC001461247343 1182786270 /nfs/dbraw/zinc/78/62/70/1182786270.db2.gz ZOEPODNTSFKCMN-ZDUSSCGKSA-N 0 0 316.357 3.166 20 10 DGCDRN Cc1ccc2[nH]c(C[NH2+]Cc3cc(F)cc(F)c3[O-])nc2c1 ZINC001461268517 1182790039 /nfs/dbraw/zinc/79/00/39/1182790039.db2.gz YUVQHOHVGYZFDK-UHFFFAOYSA-N 0 0 303.312 3.145 20 10 DGCDRN Cn1cc(/C=C/C(=O)N2CCCCc3cc(Cl)ccc32)cn1 ZINC001461611630 1182835121 /nfs/dbraw/zinc/83/51/21/1182835121.db2.gz KGZHTPNOPUPPIO-VMPITWQZSA-N 0 0 315.804 3.456 20 10 DGCDRN Cc1ccccc1N1CC[NH+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC001461875205 1182869332 /nfs/dbraw/zinc/86/93/32/1182869332.db2.gz NZWZLXCTAPTHRP-UHFFFAOYSA-N 0 0 318.367 3.301 20 10 DGCDRN CN(Cc1nccn1C(F)F)Cc1ccc(Cl)cc1O ZINC001461920965 1182876333 /nfs/dbraw/zinc/87/63/33/1182876333.db2.gz RLCLREUIEKYTLN-UHFFFAOYSA-N 0 0 301.724 3.269 20 10 DGCDRN Cc1cc(CNC(=O)Cc2cccnc2)c(C)n1-c1ccccc1 ZINC001462088467 1182905615 /nfs/dbraw/zinc/90/56/15/1182905615.db2.gz WOXNURCLIRVSHM-UHFFFAOYSA-N 0 0 319.408 3.348 20 10 DGCDRN CN(C)c1ccc(C[N@H+](CCC(C)(C)C(=O)[O-])C2CC2)cc1 ZINC001606054063 1193188151 /nfs/dbraw/zinc/18/81/51/1193188151.db2.gz KLASCBUOHHHCKC-UHFFFAOYSA-N 0 0 304.434 3.218 20 10 DGCDRN COc1cc(C)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c(O)c1 ZINC001462169564 1182917711 /nfs/dbraw/zinc/91/77/11/1182917711.db2.gz KNCHRXVJWNQNKR-MFKMUULPSA-N 0 0 303.324 3.482 20 10 DGCDRN COc1ccc2c(c1)CN(Cc1ccc(Cl)cc1O)CCO2 ZINC001462275497 1182932660 /nfs/dbraw/zinc/93/26/60/1182932660.db2.gz ZDXBZAFOAZLEBY-UHFFFAOYSA-N 0 0 319.788 3.449 20 10 DGCDRN CCC(C)(C)[NH+]1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001462387459 1182945304 /nfs/dbraw/zinc/94/53/04/1182945304.db2.gz PRKYNZVOWBKFNV-UHFFFAOYSA-N 0 0 314.832 3.491 20 10 DGCDRN C[NH+](C)[C@@H]1CCc2ccccc2N(Cc2cccc(F)c2O)C1 ZINC001462425361 1182950606 /nfs/dbraw/zinc/95/06/06/1182950606.db2.gz JGTBFOPDCORZFX-MRXNPFEDSA-N 0 0 314.404 3.414 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]C[C@@H]1CCN1C1CCCCC1 ZINC001462434065 1182952328 /nfs/dbraw/zinc/95/23/28/1182952328.db2.gz BFHQRIBBTGWEOL-AWEZNQCLSA-N 0 0 310.388 3.167 20 10 DGCDRN CCc1cccc(CN2Cc3ccccc3NC(=O)[C@H]2C)c1O ZINC001462520417 1182963553 /nfs/dbraw/zinc/96/35/53/1182963553.db2.gz ZMDACYIQWNBXPU-CYBMUJFWSA-N 0 0 310.397 3.297 20 10 DGCDRN Oc1cccc2c1CN(Cc1cccc(O)c1Br)C2 ZINC001462522682 1182963740 /nfs/dbraw/zinc/96/37/40/1182963740.db2.gz YUGNUQMLGZPPCP-UHFFFAOYSA-N 0 0 320.186 3.376 20 10 DGCDRN CN1C(=O)COc2cccc(NCc3ccc(Cl)cc3O)c21 ZINC001462528911 1182964905 /nfs/dbraw/zinc/96/49/05/1182964905.db2.gz OLRDEVROEMRDSL-UHFFFAOYSA-N 0 0 318.760 3.013 20 10 DGCDRN O=[N+]([O-])c1ccc(C[NH2+]Cc2c([O-])cccc2F)cc1Cl ZINC001462594307 1182973403 /nfs/dbraw/zinc/97/34/03/1182973403.db2.gz UGCNDTCDNOHSAA-UHFFFAOYSA-N 0 0 310.712 3.383 20 10 DGCDRN COc1cc(CC[NH2+]Cc2ccc(F)c(F)c2[O-])cc(OC)c1 ZINC001462673369 1182984171 /nfs/dbraw/zinc/98/41/71/1182984171.db2.gz WZIKCBNCRNXWFV-UHFFFAOYSA-N 0 0 323.339 3.020 20 10 DGCDRN Cc1ccc(/C=C\C(=O)N(C)Cc2ccc(N(C)C)cc2)cn1 ZINC001463771568 1183046361 /nfs/dbraw/zinc/04/63/61/1183046361.db2.gz ZSONMAKRVGHJQS-XFXZXTDPSA-N 0 0 309.413 3.128 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)NCCc1ccc2ccccc2c1 ZINC001464083520 1183069901 /nfs/dbraw/zinc/06/99/01/1183069901.db2.gz VRMRLHPLOHDJHG-UHFFFAOYSA-N 0 0 321.376 3.152 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cc(Cl)no2)cc1 ZINC001464304414 1183083014 /nfs/dbraw/zinc/08/30/14/1183083014.db2.gz ZXHNIZVGPCJVAK-UHFFFAOYSA-N 0 0 307.781 3.104 20 10 DGCDRN O=C(CCC(=O)c1cccs1)NCc1cccc(Cl)c1O ZINC001606859975 1193206322 /nfs/dbraw/zinc/20/63/22/1193206322.db2.gz CPWGNOAVTBKWTN-UHFFFAOYSA-N 0 0 323.801 3.386 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(Cl)cc2N)c1 ZINC001465992318 1183181785 /nfs/dbraw/zinc/18/17/85/1183181785.db2.gz JHJCHGQJSOFDGT-VIFPVBQESA-N 0 0 320.776 3.127 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(-c2ccc[nH]2)cc1 ZINC001466411300 1183203048 /nfs/dbraw/zinc/20/30/48/1183203048.db2.gz WTFMIRSSURNOAE-UHFFFAOYSA-N 0 0 308.337 3.274 20 10 DGCDRN C[S@@](=O)(=NC(=O)C1=CC(=O)CS1)c1ccc(Cl)cc1 ZINC001607005497 1193209950 /nfs/dbraw/zinc/20/99/50/1193209950.db2.gz MYEIULWUEKUVKP-IBGZPJMESA-N 0 0 315.803 3.404 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC[C@@H]2CCCC2(C)C)cc1 ZINC001467968291 1183300715 /nfs/dbraw/zinc/30/07/15/1183300715.db2.gz KTTGIWDNZWRQGK-HNNXBMFYSA-N 0 0 303.450 3.378 20 10 DGCDRN CN1CCCc2cc(CNC(=O)NCCCC3CCC3)ccc21 ZINC001468318629 1183325473 /nfs/dbraw/zinc/32/54/73/1183325473.db2.gz DYGSXNUGIQVVAF-UHFFFAOYSA-N 0 0 315.461 3.449 20 10 DGCDRN CCC[C@@H](CC)NC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001468435892 1183333862 /nfs/dbraw/zinc/33/38/62/1183333862.db2.gz VICVMENGAXXWFS-OAHLLOKOSA-N 0 0 321.465 3.352 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCCc2cc(C)cc(C)c2)c1 ZINC001468908043 1183367499 /nfs/dbraw/zinc/36/74/99/1183367499.db2.gz LNVNRYOQXIFNKE-UHFFFAOYSA-N 0 0 312.413 3.359 20 10 DGCDRN C[C@@H](C(=O)NCc1ccc(O)cc1O)c1ccc(Cl)cc1 ZINC001469160210 1183387084 /nfs/dbraw/zinc/38/70/84/1183387084.db2.gz CXXNCKLPURMNTP-SNVBAGLBSA-N 0 0 305.761 3.171 20 10 DGCDRN CCCONC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC001469427935 1183408010 /nfs/dbraw/zinc/40/80/10/1183408010.db2.gz DLHPVKYYYKIWOZ-UHFFFAOYSA-N 0 0 314.385 3.286 20 10 DGCDRN Cc1cc(C)cc(OCC(=O)NCc2cc(Cl)ccc2O)c1 ZINC001469875091 1183443361 /nfs/dbraw/zinc/44/33/61/1183443361.db2.gz UATMUYYDYCGTGV-UHFFFAOYSA-N 0 0 319.788 3.358 20 10 DGCDRN CC(=O)c1ccc(CC(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001469875135 1183443761 /nfs/dbraw/zinc/44/37/61/1183443761.db2.gz VCRGBRBYJYIFCE-UHFFFAOYSA-N 0 0 317.772 3.107 20 10 DGCDRN Cc1cc(N(C)C(=O)/C=C\c2cnc3ccccc3n2)ccc1O ZINC001471035752 1183532316 /nfs/dbraw/zinc/53/23/16/1183532316.db2.gz GBPLZFSQIQHCFS-YFHOEESVSA-N 0 0 319.364 3.320 20 10 DGCDRN O=C(c1ccc(C(F)(F)F)cc1O)N1Cc2cccc(O)c2C1 ZINC001471355711 1183558712 /nfs/dbraw/zinc/55/87/12/1183558712.db2.gz RXZLMXIXJVTTTD-UHFFFAOYSA-N 0 0 323.270 3.273 20 10 DGCDRN O=C(c1cccn1Cc1cccs1)N1Cc2cccc(O)c2C1 ZINC001471355325 1183558761 /nfs/dbraw/zinc/55/87/61/1183558761.db2.gz GALZXULQTDHELZ-UHFFFAOYSA-N 0 0 324.405 3.460 20 10 DGCDRN CC(C)(C)Oc1ccc(C(=O)NCc2c(O)cccc2O)cc1 ZINC001472064123 1183613820 /nfs/dbraw/zinc/61/38/20/1183613820.db2.gz TYRCKSXNYRQQIG-UHFFFAOYSA-N 0 0 315.369 3.205 20 10 DGCDRN COc1cc(C)cnc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001472085169 1183614609 /nfs/dbraw/zinc/61/46/09/1183614609.db2.gz LWKNGPCNWMKQDY-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1cncc(F)c1Cl ZINC001472593856 1183655879 /nfs/dbraw/zinc/65/58/79/1183655879.db2.gz DGLWFOPCBZZNAS-UHFFFAOYSA-N 0 0 315.131 3.163 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1O ZINC001472610645 1183656535 /nfs/dbraw/zinc/65/65/35/1183656535.db2.gz CVWJGXZJFURLGX-SECBINFHSA-N 0 0 320.732 3.445 20 10 DGCDRN O=C(c1c(F)ccc(O)c1O)N1Cc2cccc(Cl)c2C1 ZINC001472628102 1183658154 /nfs/dbraw/zinc/65/81/54/1183658154.db2.gz CQNGHKVXSWAYLF-UHFFFAOYSA-N 0 0 307.708 3.046 20 10 DGCDRN COc1ccc(N(C)CCN(C)c2cc(Cl)nc(C)n2)cc1 ZINC001472824185 1183686480 /nfs/dbraw/zinc/68/64/80/1183686480.db2.gz QQLZOIWMVTYQTF-UHFFFAOYSA-N 0 0 320.824 3.020 20 10 DGCDRN COc1ccc(N(C)C[C@@H]2CN(C3CCCCC3)C(=O)O2)cc1 ZINC001473612945 1183780932 /nfs/dbraw/zinc/78/09/32/1183780932.db2.gz CLTSOSRMHVOOQP-QGZVFWFLSA-N 0 0 318.417 3.285 20 10 DGCDRN CCOC[C@@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-])C(C)C ZINC001653554306 1195733515 /nfs/dbraw/zinc/73/35/15/1195733515.db2.gz CVJAORINKDPHQF-OAHLLOKOSA-N 0 0 313.825 3.399 20 10 DGCDRN Cc1cc(Cl)cc(C[NH2+]Cc2ccc(CC(=O)[O-])cc2)c1O ZINC001607655760 1193245559 /nfs/dbraw/zinc/24/55/59/1193245559.db2.gz ILVZHWBWVQVLNK-UHFFFAOYSA-N 0 0 319.788 3.271 20 10 DGCDRN COc1cc(C)c(CNc2ccc(Br)nc2)c(O)c1 ZINC001474408948 1183916750 /nfs/dbraw/zinc/91/67/50/1183916750.db2.gz ZQMAKOKDHFNHNK-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN C[C@@H]1CN(Cc2cc(F)c(F)cc2O)c2ccccc2NC1=O ZINC001474522268 1183934920 /nfs/dbraw/zinc/93/49/20/1183934920.db2.gz KLMPQDHYTZYLJS-SNVBAGLBSA-N 0 0 318.323 3.265 20 10 DGCDRN Cc1cc2cc(NCc3cccc(F)c3O)ccc2n(C)c1=O ZINC001474543760 1183938542 /nfs/dbraw/zinc/93/85/42/1183938542.db2.gz CWSZIXUXVASEKW-UHFFFAOYSA-N 0 0 312.344 3.304 20 10 DGCDRN CCNC(=O)c1ccc(NCc2ccc(Cl)cc2O)cc1 ZINC001474604973 1183948805 /nfs/dbraw/zinc/94/88/05/1183948805.db2.gz GCQDWMCIJYIZIX-UHFFFAOYSA-N 0 0 304.777 3.407 20 10 DGCDRN COC(=O)c1c[nH]c2cc(NCc3cccc(F)c3O)ccc21 ZINC001474632410 1183952300 /nfs/dbraw/zinc/95/23/00/1183952300.db2.gz NNFABMNTQCMPCJ-UHFFFAOYSA-N 0 0 314.316 3.411 20 10 DGCDRN CN(C)c1cncc(NCc2ccc(Br)cc2O)c1 ZINC001474660702 1183956956 /nfs/dbraw/zinc/95/69/56/1183956956.db2.gz SMPVXFWAZSVHKZ-UHFFFAOYSA-N 0 0 322.206 3.228 20 10 DGCDRN COC1(C(F)(F)F)CN(Cc2ccc3ccccc3c2O)C1 ZINC001474725800 1183969236 /nfs/dbraw/zinc/96/92/36/1183969236.db2.gz MVCVYMNGWXGRQD-UHFFFAOYSA-N 0 0 311.303 3.309 20 10 DGCDRN Cc1cccc(CNC(=O)NCc2cccc(Cl)c2O)c1 ZINC001477376624 1184086711 /nfs/dbraw/zinc/08/67/11/1184086711.db2.gz CUUNMHNEXFZHNH-UHFFFAOYSA-N 0 0 304.777 3.353 20 10 DGCDRN Cn1c2ccc(F)cc2c(C[N@@H+]2CCC[C@@H](CF)C2)c1C(=O)[O-] ZINC001608079280 1193278429 /nfs/dbraw/zinc/27/84/29/1193278429.db2.gz NQSMFSYTQDYQFX-NSHDSACASA-N 0 0 322.355 3.197 20 10 DGCDRN O=C([O-])C1=CC[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC001608585860 1193294641 /nfs/dbraw/zinc/29/46/41/1193294641.db2.gz FYPBEALXFJNWQR-KRWDZBQOSA-N 0 0 309.365 3.322 20 10 DGCDRN CCCCOC(=O)C(C)(C)NCc1ccc(N(C)C)c(C)c1 ZINC001654883113 1195851300 /nfs/dbraw/zinc/85/13/00/1195851300.db2.gz JOYAGYOHLZWZHH-UHFFFAOYSA-N 0 0 306.450 3.273 20 10 DGCDRN C[C@@H]([NH2+]CCc1cccc(F)c1F)c1cc(C(=O)[O-])ccc1O ZINC001609776641 1193355650 /nfs/dbraw/zinc/35/56/50/1193355650.db2.gz BSPDMAPTSHEJLO-SNVBAGLBSA-N 0 0 321.323 3.262 20 10 DGCDRN C[C@@H]1[C@@H](C(=O)[O-])CC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC001609833670 1193359329 /nfs/dbraw/zinc/35/93/29/1193359329.db2.gz LSQYKYHAYUGHEQ-DYVFJYSZSA-N 0 0 311.381 3.354 20 10 DGCDRN CCC(CC)[C@H](C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O)N(C)C ZINC001609916450 1193364416 /nfs/dbraw/zinc/36/44/16/1193364416.db2.gz AGAGKIWBMQLYJT-WBMJQRKESA-N 0 0 322.449 3.107 20 10 DGCDRN CCCC[N@H+](Cc1cc(C(=O)[O-])n(C)c1)Cc1ccccc1O ZINC001609970569 1193369572 /nfs/dbraw/zinc/36/95/72/1193369572.db2.gz JJXXBPDBLZZDTK-UHFFFAOYSA-N 0 0 316.401 3.231 20 10 DGCDRN Cc1cc(Cl)cc(C[NH2+][C@H](C(=O)[O-])c2cccs2)c1O ZINC001610462637 1193390687 /nfs/dbraw/zinc/39/06/87/1193390687.db2.gz PKLDEWSPAUAAGR-LBPRGKRZSA-N 0 0 311.790 3.331 20 10 DGCDRN Cc1ccc(O)c(C[N@@H+]2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1 ZINC001610509276 1193394809 /nfs/dbraw/zinc/39/48/09/1193394809.db2.gz DYPFNPNODGNXET-IAGOWNOFSA-N 0 0 311.381 3.001 20 10 DGCDRN O=C([O-])[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1ccccc1O ZINC001610736679 1193406116 /nfs/dbraw/zinc/40/61/16/1193406116.db2.gz YOCJOGPZRURKAE-HZPDHXFCSA-N 0 0 303.402 3.248 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccsc1Cl ZINC001611431105 1193433522 /nfs/dbraw/zinc/43/35/22/1193433522.db2.gz KHKWDLYHIQRRGA-QMMMGPOBSA-N 0 0 311.790 3.174 20 10 DGCDRN C[C@@H]1[C@@H](C)CCN1c1nnc(C2SC=CC2=O)n1CC1CC1 ZINC001518345893 1186837971 /nfs/dbraw/zinc/83/79/71/1186837971.db2.gz RVOBBGOLVHHGDJ-WDEREUQCSA-N 0 0 318.446 3.357 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C(C)(C)C(F)(F)F ZINC001519165439 1186867872 /nfs/dbraw/zinc/86/78/72/1186867872.db2.gz UFEANTHDSXRARK-UHFFFAOYSA-N 0 0 316.323 3.067 20 10 DGCDRN C[C@H]1CN(c2nnc(C3SC=CC3=O)n2CC2CC2)C[C@H]1C ZINC001520580898 1186954445 /nfs/dbraw/zinc/95/44/45/1186954445.db2.gz MWTAERFUSHVVKA-PHIMTYICSA-N 0 0 318.446 3.214 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC001520739526 1186964536 /nfs/dbraw/zinc/96/45/36/1186964536.db2.gz ZQJQSUVHTVPPSX-TXEJJXNPSA-N 0 0 316.430 3.135 20 10 DGCDRN COC(=O)/C=C\c1ccc(N(C)C[C@@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC001612651460 1193458915 /nfs/dbraw/zinc/45/89/15/1193458915.db2.gz ZKKMOQKLHXSHOR-WOLRVDTOSA-N 0 0 318.373 3.263 20 10 DGCDRN Cc1cc(C)c(CNC(=O)NCc2cccc(Cl)c2O)cn1 ZINC001521210035 1187004231 /nfs/dbraw/zinc/00/42/31/1187004231.db2.gz UWXBDQZEEGKFLZ-UHFFFAOYSA-N 0 0 319.792 3.057 20 10 DGCDRN O=C(NC[C@@H]1C[C@H]1Cc1ccccc1)N1Cc2cccc(O)c2C1 ZINC001521519173 1187027442 /nfs/dbraw/zinc/02/74/42/1187027442.db2.gz PGJBZVXPJIYMGM-SJORKVTESA-N 0 0 322.408 3.296 20 10 DGCDRN Cc1ncccc1/C=C/C(=O)N1C[C@@H](C)Oc2cc(F)ccc21 ZINC001523588043 1187174514 /nfs/dbraw/zinc/17/45/14/1187174514.db2.gz VGMREMYJIHRYBB-FZKGZDJFSA-N 0 0 312.344 3.356 20 10 DGCDRN CCC[C@@H](OC)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001525113984 1187296843 /nfs/dbraw/zinc/29/68/43/1187296843.db2.gz SKZOUFFDIWFZGL-QGZVFWFLSA-N 0 0 304.434 3.060 20 10 DGCDRN Cc1cc(CC(=O)Nc2nccn2C)c(C)n1-c1ccccc1 ZINC001525569667 1187321783 /nfs/dbraw/zinc/32/17/83/1187321783.db2.gz KBGSRVOCRIPMAS-UHFFFAOYSA-N 0 0 308.385 3.009 20 10 DGCDRN CCN(C(=O)/C=C(/C)c1cnccn1)c1ccc(F)c(F)c1 ZINC001526158349 1187355586 /nfs/dbraw/zinc/35/55/86/1187355586.db2.gz AZQKBLUWPKNODS-FLIBITNWSA-N 0 0 303.312 3.211 20 10 DGCDRN CC(C)NC(=S)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000013811830 1193485051 /nfs/dbraw/zinc/48/50/51/1193485051.db2.gz NCGHFNKIYLBZNQ-UHFFFAOYSA-N 0 0 324.405 3.157 20 10 DGCDRN Cc1cncc(/C=C/C(=O)N2CCOc3c(F)ccc(F)c32)c1 ZINC001527646019 1187440457 /nfs/dbraw/zinc/44/04/57/1187440457.db2.gz AULYJMWQCNKZOI-GORDUTHDSA-N 0 0 316.307 3.107 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@]1(C)C=CCC1 ZINC001529277411 1187546271 /nfs/dbraw/zinc/54/62/71/1187546271.db2.gz GNTYAJZVIPFPJS-DNVCBOLYSA-N 0 0 300.446 3.465 20 10 DGCDRN C[C@@H](NC(=O)c1cccc2c1OCC2)c1ccc(N(C)C)cc1 ZINC001529478219 1187561587 /nfs/dbraw/zinc/56/15/87/1187561587.db2.gz AKGHEQNLYTYRRD-CYBMUJFWSA-N 0 0 310.397 3.179 20 10 DGCDRN COc1ccc(C(=O)Nc2c3nonc3ccc2Cl)cc1C ZINC001531533455 1187695506 /nfs/dbraw/zinc/69/55/06/1187695506.db2.gz LCMUQDXMQLGOCE-UHFFFAOYSA-N 0 0 317.732 3.446 20 10 DGCDRN Cc1cc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)ccn1 ZINC001531693862 1187705288 /nfs/dbraw/zinc/70/52/88/1187705288.db2.gz LXZIWOHFDSCQGG-UHFFFAOYSA-N 0 0 309.413 3.262 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)cc1 ZINC001534246035 1187884770 /nfs/dbraw/zinc/88/47/70/1187884770.db2.gz RCNDOYILPKZRDA-OKDNKWQNSA-N 0 0 300.446 3.441 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C[C@@H]2CCC(C)(C)CO2)cc1F ZINC001535620123 1187971131 /nfs/dbraw/zinc/97/11/31/1187971131.db2.gz VZUPOUKARXNOQL-AWEZNQCLSA-N 0 0 322.424 3.103 20 10 DGCDRN CCOC(=O)CCCCN(CC)c1ccc(OC)c(OC)c1 ZINC001616266226 1193534186 /nfs/dbraw/zinc/53/41/86/1193534186.db2.gz SHBJYAJHURJJDT-UHFFFAOYSA-N 0 0 309.406 3.264 20 10 DGCDRN Cc1cc(CC(=O)N[C@@H](C)C(F)F)c(C)n1-c1ccccc1 ZINC001536726351 1188028067 /nfs/dbraw/zinc/02/80/67/1188028067.db2.gz IVKCQARDEFHHAE-LBPRGKRZSA-N 0 0 306.356 3.406 20 10 DGCDRN Cc1ccc(CN(C)C(=O)c2cc3cc(O)c(O)cc3s2)o1 ZINC001540404744 1188237774 /nfs/dbraw/zinc/23/77/74/1188237774.db2.gz CTPJSDPKWCSMFY-UHFFFAOYSA-N 0 0 317.366 3.486 20 10 DGCDRN CCN(Cc1ccc(Cl)cc1)C(=O)c1cccc(O)c1O ZINC001540718258 1188257013 /nfs/dbraw/zinc/25/70/13/1188257013.db2.gz MVWGFKNXMHGKDK-UHFFFAOYSA-N 0 0 305.761 3.414 20 10 DGCDRN Cc1ncc(CNC(=O)c2cc3cc(O)c(O)cc3s2)s1 ZINC001542369134 1188283188 /nfs/dbraw/zinc/28/31/88/1188283188.db2.gz HUFXBCMVNDOHTL-UHFFFAOYSA-N 0 0 320.395 3.007 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC2(c3ccccc3)CC2)cc1 ZINC001542705653 1188303096 /nfs/dbraw/zinc/30/30/96/1188303096.db2.gz SQCWMIUQAFJNPC-UHFFFAOYSA-N 0 0 308.341 3.268 20 10 DGCDRN CCC/C=C/[C@H](O)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC001543251359 1188323935 /nfs/dbraw/zinc/32/39/35/1188323935.db2.gz LMUJXHWIVQEEEU-IJDCCNJMSA-N 0 0 322.424 3.005 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1nccc(Cl)c1F ZINC001543310137 1188327164 /nfs/dbraw/zinc/32/71/64/1188327164.db2.gz PWLXFUNHWHZBIA-UHFFFAOYSA-N 0 0 321.783 3.179 20 10 DGCDRN CN(C)C(=O)c1ccc(NC(=O)C2=CC(=O)CS2)cc1Cl ZINC001543708896 1188359574 /nfs/dbraw/zinc/35/95/74/1188359574.db2.gz OJCNSHQUJGICOH-UHFFFAOYSA-N 0 0 324.789 3.061 20 10 DGCDRN Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1-c1ncco1 ZINC001545438980 1188430561 /nfs/dbraw/zinc/43/05/61/1188430561.db2.gz CUUDFALGIMCARU-UHFFFAOYSA-N 0 0 324.336 3.242 20 10 DGCDRN CCNc1ccc(Cl)cc1C(=O)NCc1ccc(O)cc1O ZINC001557085287 1189040318 /nfs/dbraw/zinc/04/03/18/1189040318.db2.gz HOSMVSIMBMKBCH-UHFFFAOYSA-N 0 0 320.776 3.113 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1ccc(-c2ccccc2)[nH]1 ZINC001557084899 1189040433 /nfs/dbraw/zinc/04/04/33/1189040433.db2.gz SFORQNTVHXGLSG-UHFFFAOYSA-N 0 0 308.337 3.023 20 10 DGCDRN Cc1cc(C)c(C(=O)NCc2ccc3cccnc3c2O)c(C)n1 ZINC001557123341 1189042228 /nfs/dbraw/zinc/04/22/28/1189042228.db2.gz NRIBYHIYQTVBMM-UHFFFAOYSA-N 0 0 321.380 3.191 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H]1CO[C@@H](C)C1 ZINC001557342038 1189057794 /nfs/dbraw/zinc/05/77/94/1189057794.db2.gz XQTJVBOUVVMCJG-HOTGVXAUSA-N 0 0 312.413 3.310 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H]1CO[C@H](C)C1 ZINC001557342035 1189057851 /nfs/dbraw/zinc/05/78/51/1189057851.db2.gz XQTJVBOUVVMCJG-CVEARBPZSA-N 0 0 312.413 3.310 20 10 DGCDRN Cc1nnc(-c2ccc(C(=O)N[C@H](C)c3ccccc3O)cc2)o1 ZINC001557967086 1189094951 /nfs/dbraw/zinc/09/49/51/1189094951.db2.gz VIBASRHSONADRH-LLVKDONJSA-N 0 0 323.352 3.242 20 10 DGCDRN C[C@H](CC(=O)NCc1cccc(O)c1O)c1ccc(F)cc1 ZINC001558159589 1189108336 /nfs/dbraw/zinc/10/83/36/1189108336.db2.gz IKRMGIISOJWNCR-LLVKDONJSA-N 0 0 303.333 3.047 20 10 DGCDRN Cc1ccccc1C[C@@H](C)C(=O)NCc1c(O)cccc1F ZINC001558454225 1189126292 /nfs/dbraw/zinc/12/62/92/1189126292.db2.gz BXOYFVLDPMDUIJ-CYBMUJFWSA-N 0 0 301.361 3.335 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1ncoc1C1CC1 ZINC001558554976 1189133134 /nfs/dbraw/zinc/13/31/34/1189133134.db2.gz YOQRWWKYASIKSU-UHFFFAOYSA-N 0 0 308.337 3.341 20 10 DGCDRN Brc1ccc2nnc(Sc3nccs3)n2c1 ZINC001559197550 1189179795 /nfs/dbraw/zinc/17/97/95/1189179795.db2.gz HBNUMIHXFNVMFW-UHFFFAOYSA-N 0 0 313.205 3.100 20 10 DGCDRN Oc1ccccc1CN(Cc1ccco1)Cc1nncs1 ZINC001559634569 1189224622 /nfs/dbraw/zinc/22/46/22/1189224622.db2.gz SIWNBABQINQXBI-UHFFFAOYSA-N 0 0 301.371 3.039 20 10 DGCDRN COC(=O)COc1ccc(N(C)Cc2ccccc2CF)cc1 ZINC001559742651 1189237112 /nfs/dbraw/zinc/23/71/12/1189237112.db2.gz RYVSECAHTUWLLZ-UHFFFAOYSA-N 0 0 317.360 3.344 20 10 DGCDRN CCN(C)c1ccc(CN2C[C@@H](C)O[C@@](C)(C(F)F)C2)cc1 ZINC001560014160 1189268736 /nfs/dbraw/zinc/26/87/36/1189268736.db2.gz LWDUNWXOOGIJSN-CXAGYDPISA-N 0 0 312.404 3.387 20 10 DGCDRN C[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])N1CCCCC1 ZINC001560284265 1189305137 /nfs/dbraw/zinc/30/51/37/1189305137.db2.gz KUBPYGFJPNQOBM-NSHDSACASA-N 0 0 300.805 3.149 20 10 DGCDRN COc1cccc2[nH]c(NCc3ccc(N(C)C)c(F)c3)nc21 ZINC001560576466 1189343310 /nfs/dbraw/zinc/34/33/10/1189343310.db2.gz DBCXCQITSUDCOQ-UHFFFAOYSA-N 0 0 314.364 3.389 20 10 DGCDRN Cn1cc(NCc2ccc(Cl)cc2O)c(-c2ccccn2)n1 ZINC001560751239 1189373876 /nfs/dbraw/zinc/37/38/76/1189373876.db2.gz JYDPAMRFPHVSNR-UHFFFAOYSA-N 0 0 314.776 3.453 20 10 DGCDRN CC[C@@H](C)[NH+]1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC001560834138 1189389886 /nfs/dbraw/zinc/38/98/86/1189389886.db2.gz FNPFFRDKRLOFOD-LLVKDONJSA-N 0 0 300.805 3.101 20 10 DGCDRN CCOC(=O)C(CC)(CC)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC001560957729 1189411663 /nfs/dbraw/zinc/41/16/63/1189411663.db2.gz FOFJUPSTQODGPV-UHFFFAOYSA-N 0 0 315.360 3.130 20 10 DGCDRN C[C@@H](NS(=O)(=O)c1coc2ccccc21)c1ccccc1O ZINC001561838186 1189462807 /nfs/dbraw/zinc/46/28/07/1189462807.db2.gz RGFBTRWLROQFQD-LLVKDONJSA-N 0 0 317.366 3.178 20 10 DGCDRN COc1cccc(CNC(=O)Nc2cscc2Cl)c1O ZINC001563245354 1189502799 /nfs/dbraw/zinc/50/27/99/1189502799.db2.gz RDSZNEVMPLTXHP-UHFFFAOYSA-N 0 0 312.778 3.437 20 10 DGCDRN CN1CCCc2cc(CNC(=O)NC[C@@]3(C)CC3(C)C)ccc21 ZINC001563791492 1189534636 /nfs/dbraw/zinc/53/46/36/1189534636.db2.gz AOFRBMNERYJXEK-LJQANCHMSA-N 0 0 315.461 3.304 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCC23CCC(CC2)C3)cc1F ZINC001563811107 1189535966 /nfs/dbraw/zinc/53/59/66/1189535966.db2.gz XVAILTRGFXVFEB-UHFFFAOYSA-N 0 0 319.424 3.271 20 10 DGCDRN CCC1(CC)CN(C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC001564006724 1189545186 /nfs/dbraw/zinc/54/51/86/1189545186.db2.gz PGIJHVADVYXDIU-UHFFFAOYSA-N 0 0 303.450 3.393 20 10 DGCDRN CCC1(CC)[C@@H](NC(=O)N[C@H](C)c2ccccc2O)C[C@@H]1OC ZINC001564411063 1189573598 /nfs/dbraw/zinc/57/35/98/1189573598.db2.gz CFTHRYDYTIROAV-KCXAZCMYSA-N 0 0 320.433 3.346 20 10 DGCDRN O=C(NCc1ccccc1O)NC[C@H]1CSc2ccccc21 ZINC001564813396 1189598491 /nfs/dbraw/zinc/59/84/91/1189598491.db2.gz JQLGYRDRJJLYDN-ZDUSSCGKSA-N 0 0 314.410 3.081 20 10 DGCDRN O=C(NCC(F)(F)c1ccccc1)N1Cc2cccc(O)c2C1 ZINC001564877451 1189602380 /nfs/dbraw/zinc/60/23/80/1189602380.db2.gz QHWRIVLVCGWDFX-UHFFFAOYSA-N 0 0 318.323 3.209 20 10 DGCDRN C[C@@H]1CC(CNC(=O)N2Cc3cccc(O)c3C2)C[C@@H](C)C1 ZINC001565044304 1189616972 /nfs/dbraw/zinc/61/69/72/1189616972.db2.gz KMKWTGXXNMITHU-STQMWFEESA-N 0 0 302.418 3.490 20 10 DGCDRN CNc1ccc(C(=O)NCc2cccc(OC)c2O)c(Cl)c1 ZINC001566374315 1189765806 /nfs/dbraw/zinc/76/58/06/1189765806.db2.gz CTUPMLSJKQDKOM-UHFFFAOYSA-N 0 0 320.776 3.026 20 10 DGCDRN O=C(Cc1coc2c1ccc(F)c2F)NCc1ccccc1O ZINC001566373868 1189766049 /nfs/dbraw/zinc/76/60/49/1189766049.db2.gz JEBIXOHOXSDGFW-UHFFFAOYSA-N 0 0 317.291 3.276 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2onc3ccccc32)c1 ZINC001566374607 1189766076 /nfs/dbraw/zinc/76/60/76/1189766076.db2.gz NZRPUNQSHIFJDV-SNVBAGLBSA-N 0 0 312.325 3.033 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2CC2(C)C)c1 ZINC001570265941 1190832500 /nfs/dbraw/zinc/83/25/00/1190832500.db2.gz DQRHZDZCGNTXSR-KRWDZBQOSA-N 0 0 310.397 3.435 20 10 DGCDRN Cc1ccc(F)c(CC(=O)NCc2ccc3cccnc3c2O)c1 ZINC001570533936 1190879131 /nfs/dbraw/zinc/87/91/31/1190879131.db2.gz XJZLKDBGLJXBJT-UHFFFAOYSA-N 0 0 324.355 3.247 20 10 DGCDRN O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc2c(c1)CCCC2=O ZINC001570652006 1190910933 /nfs/dbraw/zinc/91/09/33/1190910933.db2.gz WJKGLIGHTHVSFT-UITAMQMPSA-N 0 0 323.348 3.269 20 10 DGCDRN Cc1cc(C(=O)NCc2ccc(C)cn2)c(C)n1-c1ccccn1 ZINC001570688537 1190917584 /nfs/dbraw/zinc/91/75/84/1190917584.db2.gz MJPLZGYUBJIVIQ-UHFFFAOYSA-N 0 0 320.396 3.123 20 10 DGCDRN C[C@@H](CC(=O)c1ccc(F)cc1)C(=O)Oc1ccc(N)cc1 ZINC001575923865 1191516599 /nfs/dbraw/zinc/51/65/99/1191516599.db2.gz PGULHKGPOOGUTE-NSHDSACASA-N 0 0 301.317 3.222 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cncnc2C)cc1 ZINC001618414463 1193738011 /nfs/dbraw/zinc/73/80/11/1193738011.db2.gz DZIZSHPDXHWKAU-UHFFFAOYSA-N 0 0 306.369 3.445 20 10 DGCDRN COc1cc2c(c(OC)c1)N(C[C@H]1CC3(CCC3)CO1)CCC2 ZINC001618568501 1193743882 /nfs/dbraw/zinc/74/38/82/1193743882.db2.gz LPNQBTABHSJZBQ-MRXNPFEDSA-N 0 0 317.429 3.416 20 10 DGCDRN COc1cc2c(c(OC)c1)N(Cc1cccc(OC)n1)CCC2 ZINC001618570546 1193744013 /nfs/dbraw/zinc/74/40/13/1193744013.db2.gz YLLCNKUAXQSEET-UHFFFAOYSA-N 0 0 314.385 3.060 20 10 DGCDRN COC(=O)c1cc(CN2CCCc3cc(OC)ccc32)cs1 ZINC001621236362 1193763642 /nfs/dbraw/zinc/76/36/42/1193763642.db2.gz FCVWVWZLHLLOAI-UHFFFAOYSA-N 0 0 317.410 3.496 20 10 DGCDRN CCc1nc([C@@H]2CCCCN2Cc2cc(F)c(F)cc2O)no1 ZINC001621185483 1193814293 /nfs/dbraw/zinc/81/42/93/1193814293.db2.gz GWVKKZONAABWKK-ZDUSSCGKSA-N 0 0 323.343 3.343 20 10 DGCDRN COC(=O)c1ccc2c(c1)CCN2Cc1cc(F)c(F)cc1O ZINC001621271131 1193825811 /nfs/dbraw/zinc/82/58/11/1193825811.db2.gz PBAJANDHQDSOHA-UHFFFAOYSA-N 0 0 319.307 3.020 20 10 DGCDRN COc1cc(C)c(CNc2cccc([S@@](C)=O)c2)c(O)c1 ZINC001621349126 1193830936 /nfs/dbraw/zinc/83/09/36/1193830936.db2.gz XUAYTKCIWMBOEG-OAQYLSRUSA-N 0 0 305.399 3.059 20 10 DGCDRN Oc1cc(F)c(F)cc1CN1CCOc2cc(F)c(F)cc21 ZINC001621418396 1193840444 /nfs/dbraw/zinc/84/04/44/1193840444.db2.gz JRMKGXNFUYVYFL-UHFFFAOYSA-N 0 0 313.250 3.348 20 10 DGCDRN CC1(C)CCC[C@](O)(C[NH2+]Cc2cc(F)c(F)cc2[O-])CC1 ZINC001621477274 1193848165 /nfs/dbraw/zinc/84/81/65/1193848165.db2.gz KKYFBEZQYORZHJ-QGZVFWFLSA-N 0 0 313.388 3.481 20 10 DGCDRN CC(C)OC(=O)C(C)(C)NC/C=C/c1ccc(N(C)C)cc1 ZINC001621558252 1193858568 /nfs/dbraw/zinc/85/85/68/1193858568.db2.gz IBDFKJILJSAARQ-BQYQJAHWSA-N 0 0 304.434 3.086 20 10 DGCDRN Cc1cnc([C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)s1 ZINC001621756225 1193869067 /nfs/dbraw/zinc/86/90/67/1193869067.db2.gz OEOWGOUZDPMAMR-SECBINFHSA-N 0 0 317.374 3.105 20 10 DGCDRN Cc1cccc(Cl)c1S(=O)(=O)N1Cc2cccc(O)c2C1 ZINC001622483545 1193902438 /nfs/dbraw/zinc/90/24/38/1193902438.db2.gz QFPNSIOFSYVYSA-UHFFFAOYSA-N 0 0 323.801 3.059 20 10 DGCDRN O=C(NCc1ccccc1O)C(=O)c1cc(Cl)cc(Cl)c1 ZINC001622773146 1193911601 /nfs/dbraw/zinc/91/16/01/1193911601.db2.gz XQKYGLSXOLFFAQ-UHFFFAOYSA-N 0 0 324.163 3.198 20 10 DGCDRN Cc1cc(CNC(=O)[C@H]2C[C@@H](C)CO2)c(C)n1-c1ccccc1 ZINC001624075622 1193979557 /nfs/dbraw/zinc/97/95/57/1193979557.db2.gz WHFAUPIOWMVYNK-FZKQIMNGSA-N 0 0 312.413 3.135 20 10 DGCDRN CCCC[C@H](O)CCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC001624321668 1193992594 /nfs/dbraw/zinc/99/25/94/1193992594.db2.gz GHSOWGUGIDJHDJ-SFHVURJKSA-N 0 0 318.461 3.234 20 10 DGCDRN CCC1(CC)CCCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001625256603 1194040638 /nfs/dbraw/zinc/04/06/38/1194040638.db2.gz DOCSRUHYDRNABJ-UHFFFAOYSA-N 0 0 305.418 3.459 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H](O)C1CCC1 ZINC001626544238 1194081937 /nfs/dbraw/zinc/08/19/37/1194081937.db2.gz YACVWRSWEFUMBR-HNNXBMFYSA-N 0 0 318.442 3.046 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1nc(C2CC2)cs1 ZINC001627690129 1194139844 /nfs/dbraw/zinc/13/98/44/1194139844.db2.gz WTKPRQVKCISFCE-UHFFFAOYSA-N 0 0 315.442 3.325 20 10 DGCDRN CN(C[Si](C)(C)C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001628189480 1194165986 /nfs/dbraw/zinc/16/59/86/1194165986.db2.gz ZFJYIOVHWJWNJV-UHFFFAOYSA-N 0 0 309.463 3.262 20 10 DGCDRN Cc1cccc(C)c1NCC(=O)NCc1cc(Cl)ccc1O ZINC001628667210 1194190592 /nfs/dbraw/zinc/19/05/92/1194190592.db2.gz RYIYKFGGTBTOBL-UHFFFAOYSA-N 0 0 318.804 3.391 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cc(F)cc(Cl)c2N)cc1 ZINC001628708391 1194192825 /nfs/dbraw/zinc/19/28/25/1194192825.db2.gz KYLAKMGZRCEZJX-UHFFFAOYSA-N 0 0 321.783 3.057 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CC[C@H](C3CCCC3)C2)cc1 ZINC001629376359 1194229763 /nfs/dbraw/zinc/22/97/63/1194229763.db2.gz HFCXGUNAOKFEGV-KRWDZBQOSA-N 0 0 315.461 3.474 20 10 DGCDRN Cc1ccc([C@H](C)N(C)C(=O)Cc2ccc(O)c(O)c2)c(C)c1 ZINC001629737778 1194250703 /nfs/dbraw/zinc/25/07/03/1194250703.db2.gz OIYUUJAOZSWUKS-AWEZNQCLSA-N 0 0 313.397 3.477 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@H](O)C(C)C ZINC001629995777 1194264199 /nfs/dbraw/zinc/26/41/99/1194264199.db2.gz KLLLXCUAIILBPT-SFHVURJKSA-N 0 0 314.429 3.149 20 10 DGCDRN Cc1ccc(SCCC(=O)NCc2ccc(O)cc2O)cc1 ZINC001630296982 1194278880 /nfs/dbraw/zinc/27/88/80/1194278880.db2.gz VHDVWWBSHNTQIZ-UHFFFAOYSA-N 0 0 317.410 3.205 20 10 DGCDRN CC(C)[C@@H]1C[C@H]1CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC001630356150 1194282416 /nfs/dbraw/zinc/28/24/16/1194282416.db2.gz YZVLDVVLJBYMJE-IRXDYDNUSA-N 0 0 315.461 3.160 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(O)cc2F)cc1 ZINC001630469827 1194287751 /nfs/dbraw/zinc/28/77/51/1194287751.db2.gz MKYDVZOPVLMDRX-UHFFFAOYSA-N 0 0 316.376 3.308 20 10 DGCDRN C[C@H](C(=O)NCc1ccc2cccnc2c1O)c1cccs1 ZINC001630533188 1194290303 /nfs/dbraw/zinc/29/03/03/1194290303.db2.gz XNJVMLWZBKSQNE-NSHDSACASA-N 0 0 312.394 3.422 20 10 DGCDRN COc1cccc(CNC(=O)Cc2ccc(F)c(Cl)c2)c1O ZINC001631540254 1194340779 /nfs/dbraw/zinc/34/07/79/1194340779.db2.gz QQCQMQPJBMCGEP-UHFFFAOYSA-N 0 0 323.751 3.052 20 10 DGCDRN Nc1cc(Cl)c(Cl)cc1C(=O)NCc1ccccc1O ZINC001631540645 1194340792 /nfs/dbraw/zinc/34/07/92/1194340792.db2.gz ZTNULPOYPGYMJD-UHFFFAOYSA-N 0 0 311.168 3.211 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc3ncccc3o2)c1 ZINC001631541938 1194341004 /nfs/dbraw/zinc/34/10/04/1194341004.db2.gz CKHLYYYZXJAMAX-SNVBAGLBSA-N 0 0 312.325 3.033 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC001631628026 1194345824 /nfs/dbraw/zinc/34/58/24/1194345824.db2.gz QQKIJAUPANWCEQ-OFQRWUPVSA-N 0 0 302.418 3.469 20 10 DGCDRN C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1cccc(O)c1O ZINC001631953745 1194363446 /nfs/dbraw/zinc/36/34/46/1194363446.db2.gz HVAVAACVYXSOIL-MNOVXSKESA-N 0 0 315.344 3.385 20 10 DGCDRN C[C@@H](CC1CCC1)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC001632110626 1194372199 /nfs/dbraw/zinc/37/21/99/1194372199.db2.gz QUMVVTNKVWZLST-HNNXBMFYSA-N 0 0 313.445 3.441 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCc2cccc(O)c21 ZINC001632228213 1194378077 /nfs/dbraw/zinc/37/80/77/1194378077.db2.gz MPUPJQBRTJYDLA-CYBMUJFWSA-N 0 0 317.772 3.097 20 10 DGCDRN CC[S@](=O)c1ccccc1C(=O)N[C@@H](C)c1ccccc1O ZINC001632250044 1194379190 /nfs/dbraw/zinc/37/91/90/1194379190.db2.gz JCCZWLQJIXBUMI-YTEVENLXSA-N 0 0 317.410 3.011 20 10 DGCDRN CC[S@@](=O)c1ccccc1C(=O)N[C@@H](C)c1ccccc1O ZINC001632250043 1194379289 /nfs/dbraw/zinc/37/92/89/1194379289.db2.gz JCCZWLQJIXBUMI-AMXDTQDGSA-N 0 0 317.410 3.011 20 10 DGCDRN Cc1cccn2cc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cc12 ZINC001632681796 1194402299 /nfs/dbraw/zinc/40/22/99/1194402299.db2.gz VJGVHQAHRZKGCY-ZDUSSCGKSA-N 0 0 324.380 3.020 20 10 DGCDRN Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)c(O)c1O ZINC001633236450 1194427962 /nfs/dbraw/zinc/42/79/62/1194427962.db2.gz HUMPVTXMGLXFOT-GFCCVEGCSA-N 0 0 311.381 3.386 20 10 DGCDRN COc1cccc(/C(C)=C\C(=O)NCc2cc(C)ccc2O)c1 ZINC001633282446 1194429905 /nfs/dbraw/zinc/42/99/05/1194429905.db2.gz JMUCZNLTPFKHRC-UVTDQMKNSA-N 0 0 311.381 3.429 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ncc(Cl)cc2Cl)c1 ZINC001633286514 1194429861 /nfs/dbraw/zinc/42/98/61/1194429861.db2.gz FNDYUWCFRSOUIM-UHFFFAOYSA-N 0 0 311.168 3.332 20 10 DGCDRN Cc1ccccc1C1(C(=O)NCc2cc(O)ccc2O)CCC1 ZINC001633598836 1194445160 /nfs/dbraw/zinc/44/51/60/1194445160.db2.gz DBLILVSYVAUVJZ-UHFFFAOYSA-N 0 0 311.381 3.144 20 10 DGCDRN COc1cccc(C)c1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001634256129 1194482821 /nfs/dbraw/zinc/48/28/21/1194482821.db2.gz GORNHUOTJAYZKX-UHFFFAOYSA-N 0 0 312.329 3.418 20 10 DGCDRN CC[C@H](NC(=O)c1cc(C)ccc1-n1c(C)ccc1C)[C@H](C)O ZINC001635346958 1194546210 /nfs/dbraw/zinc/54/62/10/1194546210.db2.gz VTNPMNDMBUYGCT-RDJZCZTQSA-N 0 0 314.429 3.292 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC001635657862 1194564988 /nfs/dbraw/zinc/56/49/88/1194564988.db2.gz DGSVOYMPLYXWHR-OAHLLOKOSA-N 0 0 301.773 3.344 20 10 DGCDRN Cc1c[nH]c(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)n1 ZINC001635667895 1194565091 /nfs/dbraw/zinc/56/50/91/1194565091.db2.gz WWFRJJWHBJOFPE-UHFFFAOYSA-N 0 0 308.385 3.307 20 10 DGCDRN C[C@@H](NC(=O)c1ncc2cc(Cl)ccn21)c1ccccc1O ZINC001635793737 1194572706 /nfs/dbraw/zinc/57/27/06/1194572706.db2.gz FWQUTGFSXAHXKK-SNVBAGLBSA-N 0 0 315.760 3.184 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1O ZINC001635793740 1194572707 /nfs/dbraw/zinc/57/27/07/1194572707.db2.gz GLHHQAMZQZZGQI-SECBINFHSA-N 0 0 320.732 3.445 20 10 DGCDRN C[C@H](NC(=O)c1ccc(Br)nc1)c1ccccc1O ZINC001635799308 1194572717 /nfs/dbraw/zinc/57/27/17/1194572717.db2.gz XWGGVYHMTCHEFH-VIFPVBQESA-N 0 0 321.174 3.041 20 10 DGCDRN C[C@@H](NC(=O)[C@@H](C)Oc1cccc(F)c1)c1ccccc1O ZINC001635793879 1194572742 /nfs/dbraw/zinc/57/27/42/1194572742.db2.gz MASYXKKCIVSBQB-VXGBXAGGSA-N 0 0 303.333 3.176 20 10 DGCDRN COc1cc2ccccc2cc1C(=O)NCc1c(O)cccc1O ZINC001635843305 1194574866 /nfs/dbraw/zinc/57/48/66/1194574866.db2.gz LHFJGCNIZZUPGG-UHFFFAOYSA-N 0 0 323.348 3.190 20 10 DGCDRN C[C@H](C(=O)NCc1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC001635958859 1194581587 /nfs/dbraw/zinc/58/15/87/1194581587.db2.gz BCEZTVACEAZASN-JTQLQIEISA-N 0 0 305.761 3.171 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H](CO)C(C)C ZINC001636579390 1194622370 /nfs/dbraw/zinc/62/23/70/1194622370.db2.gz NDCXBSNDDSVZMO-QGZVFWFLSA-N 0 0 314.429 3.149 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2ccc(O)c(Cl)c2)cc1 ZINC001636759389 1194632154 /nfs/dbraw/zinc/63/21/54/1194632154.db2.gz SCHAUABASPHHKK-UHFFFAOYSA-N 0 0 318.720 3.460 20 10 DGCDRN CC(C)c1scnc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001636884627 1194638217 /nfs/dbraw/zinc/63/82/17/1194638217.db2.gz LEPFXDJDDSIWDC-XQRVVYSFSA-N 0 0 304.371 3.330 20 10 DGCDRN O=C(CCCc1c(F)cccc1F)NCc1cccc(O)c1O ZINC001637045607 1194647961 /nfs/dbraw/zinc/64/79/61/1194647961.db2.gz IHLYEWANENSWAO-UHFFFAOYSA-N 0 0 321.323 3.015 20 10 DGCDRN O=C(CC(C1CCC1)C1CCC1)NCc1cc(O)ccc1O ZINC001637126009 1194651674 /nfs/dbraw/zinc/65/16/74/1194651674.db2.gz JZDKDDLMEVKFPT-UHFFFAOYSA-N 0 0 303.402 3.321 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001637125999 1194651716 /nfs/dbraw/zinc/65/17/16/1194651716.db2.gz JXODZZYEPXKULR-DLBZAZTESA-N 0 0 311.381 3.298 20 10 DGCDRN CC1CC(CNC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC001637220249 1194658037 /nfs/dbraw/zinc/65/80/37/1194658037.db2.gz FNACHZQBIFOXHG-UHFFFAOYSA-N 0 0 302.418 3.116 20 10 DGCDRN CC(C)Oc1cc(F)ccc1NC(=O)c1cccc(O)c1O ZINC001637461073 1194670909 /nfs/dbraw/zinc/67/09/09/1194670909.db2.gz TYJIYMCABSNTCQ-UHFFFAOYSA-N 0 0 305.305 3.276 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1Cc2ccc(Cl)cc2C1 ZINC001638818952 1194739261 /nfs/dbraw/zinc/73/92/61/1194739261.db2.gz MDNYMHVLGNNOKX-QHHAFSJGSA-N 0 0 315.756 3.307 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1Cc2ccc(Cl)cc2C1 ZINC001638818951 1194739405 /nfs/dbraw/zinc/73/94/05/1194739405.db2.gz MDNYMHVLGNNOKX-KXFIGUGUSA-N 0 0 315.756 3.307 20 10 DGCDRN COC1(CNC(=O)NCc2c(O)cccc2F)CCCCCC1 ZINC001638913263 1194743416 /nfs/dbraw/zinc/74/34/16/1194743416.db2.gz UBUHWFXMRVJKMV-UHFFFAOYSA-N 0 0 324.396 3.070 20 10 DGCDRN Cc1noc(-c2ccc(C(=O)N(C)Cc3ccccc3O)cc2)n1 ZINC000053915575 1194747019 /nfs/dbraw/zinc/74/70/19/1194747019.db2.gz FEYVSXGHCWCSTA-UHFFFAOYSA-N 0 0 323.352 3.023 20 10 DGCDRN CC(=O)c1cc(NC(=O)C=Cc2ccc(O)c(O)c2)ccc1C ZINC001639244110 1194756890 /nfs/dbraw/zinc/75/68/90/1194756890.db2.gz IPJROQBHWVDDKK-VMPITWQZSA-N 0 0 311.337 3.261 20 10 DGCDRN C[C@@H](Sc1ccc(F)cc1)C(=O)NCc1ccc(O)cc1O ZINC001639444728 1194766469 /nfs/dbraw/zinc/76/64/69/1194766469.db2.gz XLNZTKJAKSNKER-SNVBAGLBSA-N 0 0 321.373 3.034 20 10 DGCDRN Cc1c(NC(=O)c2cccc(O)c2O)cnn1-c1ccc(C)cc1 ZINC001639669819 1194776496 /nfs/dbraw/zinc/77/64/96/1194776496.db2.gz VWDIQUMHYZSQNP-UHFFFAOYSA-N 0 0 323.352 3.153 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)NCCCc1cccc(Cl)c1 ZINC001639919787 1194787110 /nfs/dbraw/zinc/78/71/10/1194787110.db2.gz HEULJAGPEORCAO-UHFFFAOYSA-N 0 0 319.788 3.043 20 10 DGCDRN Cc1ccc(O)c(CNc2c3ccccc3ncc2[N+](=O)[O-])c1 ZINC001640177754 1194800263 /nfs/dbraw/zinc/80/02/63/1194800263.db2.gz HMSRJIZTQYGHOB-UHFFFAOYSA-N 0 0 309.325 3.191 20 10 DGCDRN CCOc1cc(NCc2cc(O)ccc2O)ccc1[N+](=O)[O-] ZINC001640355307 1194808175 /nfs/dbraw/zinc/80/81/75/1194808175.db2.gz WJHVHDQSNQIMPI-UHFFFAOYSA-N 0 0 304.302 3.017 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CCc2cc(F)ccc2F)c1 ZINC001640796672 1194828337 /nfs/dbraw/zinc/82/83/37/1194828337.db2.gz KLMMNUFBSAFQSB-UHFFFAOYSA-N 0 0 305.324 3.228 20 10 DGCDRN CCOC(=O)CC(=O)[C@H](C)Sc1ncc(C(C)(C)C)s1 ZINC001640985236 1194835230 /nfs/dbraw/zinc/83/52/30/1194835230.db2.gz CKVMDDFJXFLUOJ-VIFPVBQESA-N 0 0 315.460 3.444 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@H]1c1ccc(F)cc1 ZINC001641050222 1194837335 /nfs/dbraw/zinc/83/73/35/1194837335.db2.gz VPGZSMYTRKGXKY-HTUWBFOXSA-N 0 0 313.328 3.224 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)COc2cc(Cl)ccc2C)c1 ZINC001641732941 1194868651 /nfs/dbraw/zinc/86/86/51/1194868651.db2.gz HHEHDMIXETWHIE-UHFFFAOYSA-N 0 0 319.788 3.358 20 10 DGCDRN CCOc1cc(NCc2ccc3c(c2)CCCN3C)nc(C)n1 ZINC001642147912 1194890052 /nfs/dbraw/zinc/89/00/52/1194890052.db2.gz GHRPTIZFJIXHKG-UHFFFAOYSA-N 0 0 312.417 3.178 20 10 DGCDRN Cc1ccc2c(c1)C=C(C(=O)N[C@H](C)c1ccccc1O)CO2 ZINC001642827234 1194943661 /nfs/dbraw/zinc/94/36/61/1194943661.db2.gz CWZGEFLWZROZAD-CYBMUJFWSA-N 0 0 309.365 3.354 20 10 DGCDRN C[C@@H](NC(=O)c1ccnn1-c1ccccc1)c1ccccc1O ZINC001642827165 1194943949 /nfs/dbraw/zinc/94/39/49/1194943949.db2.gz AISWPQMXAJYSIW-CYBMUJFWSA-N 0 0 307.353 3.069 20 10 DGCDRN CO[C@H](C(=O)N[C@@H](C)c1ccccc1O)c1ccc(F)cc1 ZINC001642830895 1194944505 /nfs/dbraw/zinc/94/45/05/1194944505.db2.gz KWRQJZCZHSIDLP-ZBEGNZNMSA-N 0 0 303.333 3.096 20 10 DGCDRN O=C(/C=C/c1ccc2[nH]ccc2c1)N1Cc2cccc(O)c2C1 ZINC001643174061 1195000253 /nfs/dbraw/zinc/00/02/53/1195000253.db2.gz WKECCHYNXCDTBE-FNORWQNLSA-N 0 0 304.349 3.429 20 10 DGCDRN C/C(=C/c1cccnc1)C(=O)NCc1ccc2cccnc2c1O ZINC001643284763 1195010466 /nfs/dbraw/zinc/01/04/66/1195010466.db2.gz KPAKCSLTYCJUBL-RAXLEYEMSA-N 0 0 319.364 3.055 20 10 DGCDRN C[C@@H](NC(=O)c1ncc2ccccc2c1O)c1ccccc1O ZINC001643738605 1195050349 /nfs/dbraw/zinc/05/03/49/1195050349.db2.gz IXOWPQMACWIBBI-LLVKDONJSA-N 0 0 308.337 3.137 20 10 DGCDRN CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NCc1cc(O)ccc1O ZINC001643882187 1195060161 /nfs/dbraw/zinc/06/01/61/1195060161.db2.gz PVAYOMBIWUOXHI-NUTKFTJISA-N 0 0 321.417 3.088 20 10 DGCDRN COC(=O)c1cnc(SCCc2noc3ccccc32)s1 ZINC001643951695 1195067074 /nfs/dbraw/zinc/06/70/74/1195067074.db2.gz DPPREBYYEIUXQV-UHFFFAOYSA-N 0 0 320.395 3.406 20 10 DGCDRN O=C(c1cnc2c(F)cccc2c1)N1Cc2cccc(O)c2C1 ZINC001644088054 1195080095 /nfs/dbraw/zinc/08/00/95/1195080095.db2.gz CYPHYGKYBDGUBA-UHFFFAOYSA-N 0 0 308.312 3.236 20 10 DGCDRN Cc1ccc2nc(CSc3ncc(Cl)s3)cc(=O)n2c1 ZINC001644123270 1195083193 /nfs/dbraw/zinc/08/31/93/1195083193.db2.gz ZFASGIXQIMYXCI-UHFFFAOYSA-N 0 0 323.830 3.405 20 10 DGCDRN Cc1ccccc1C1(NC(=O)Cc2ccc(O)c(O)c2)CCC1 ZINC001644354775 1195102908 /nfs/dbraw/zinc/10/29/08/1195102908.db2.gz FUMMMTBYBUBAKE-UHFFFAOYSA-N 0 0 311.381 3.144 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)[C@H]1C[C@]12CCCc1ccccc12 ZINC001644754027 1195131681 /nfs/dbraw/zinc/13/16/81/1195131681.db2.gz OIAUGLWDCTVLOT-XLIONFOSSA-N 0 0 323.392 3.008 20 10 DGCDRN CC(C)(C)Oc1cccc(C(=O)NCc2c(O)cccc2F)n1 ZINC001645050163 1195153096 /nfs/dbraw/zinc/15/30/96/1195153096.db2.gz FLIWUJLRTBIROS-UHFFFAOYSA-N 0 0 318.348 3.034 20 10 DGCDRN O=C(COCc1cccc(Cl)c1)NCc1c(O)cccc1F ZINC001645051086 1195153491 /nfs/dbraw/zinc/15/34/91/1195153491.db2.gz VPMPUCXZZRWOHN-UHFFFAOYSA-N 0 0 323.751 3.018 20 10 DGCDRN CCN(C(=O)Cc1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC001645197730 1195164878 /nfs/dbraw/zinc/16/48/78/1195164878.db2.gz DPVJTISCZDTQKR-UHFFFAOYSA-N 0 0 305.761 3.347 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Cc2coc3cc(F)ccc23)c1 ZINC001645800643 1195201879 /nfs/dbraw/zinc/20/18/79/1195201879.db2.gz NNWVDOXMESQTIS-UHFFFAOYSA-N 0 0 313.328 3.445 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cc3c(c(Cl)c2)OCO3)c1 ZINC001645800816 1195202103 /nfs/dbraw/zinc/20/21/03/1195202103.db2.gz VAQQCMPTFNQDAM-UHFFFAOYSA-N 0 0 319.744 3.013 20 10 DGCDRN Cc1cc(C(=O)NCc2cc(C)ccc2O)nn1-c1ccccc1 ZINC001645800975 1195202176 /nfs/dbraw/zinc/20/21/76/1195202176.db2.gz XNWMFHXQGRTKPB-UHFFFAOYSA-N 0 0 321.380 3.125 20 10 DGCDRN COc1ccc(O[C@H](C)C[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC001647036000 1195242975 /nfs/dbraw/zinc/24/29/75/1195242975.db2.gz OBFSHMJEKVEOFT-LLVKDONJSA-N 0 0 323.339 3.236 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1cc2c(cccc2F)s1 ZINC001647268975 1195247492 /nfs/dbraw/zinc/24/74/92/1195247492.db2.gz FGOYSNIIUSXDHD-UHFFFAOYSA-N 0 0 317.341 3.382 20 10 DGCDRN Cc1cc(C(=O)NCc2cccc(Cl)c2O)cc([N+](=O)[O-])c1 ZINC001647826651 1195256404 /nfs/dbraw/zinc/25/64/04/1195256404.db2.gz DEGZYKSBIBSACQ-UHFFFAOYSA-N 0 0 320.732 3.192 20 10 DGCDRN COc1cccc(C(=O)NCc2cccc(Cl)c2O)c1C ZINC001647830256 1195257311 /nfs/dbraw/zinc/25/73/11/1195257311.db2.gz PGXNJCQPJRPOIM-UHFFFAOYSA-N 0 0 305.761 3.293 20 10 DGCDRN COc1ccc(F)cc1CC(=O)NCc1cccc(Cl)c1O ZINC001647830415 1195257319 /nfs/dbraw/zinc/25/73/19/1195257319.db2.gz VWKFIZYCNQUNAK-UHFFFAOYSA-N 0 0 323.751 3.052 20 10 DGCDRN O=C(Nc1nn(CC(F)F)c2ccccc21)C1=CC(=O)CS1 ZINC001648220154 1195284476 /nfs/dbraw/zinc/28/44/76/1195284476.db2.gz OUNPSXWJYBNXRU-UHFFFAOYSA-N 0 0 323.324 3.321 20 10 DGCDRN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(Cl)c2O)c1 ZINC001648606091 1195312805 /nfs/dbraw/zinc/31/28/05/1195312805.db2.gz HQKMAFGXRDGFMY-UHFFFAOYSA-N 0 0 320.732 3.192 20 10 DGCDRN C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])Oc1cccc(F)c1 ZINC001650621513 1195365485 /nfs/dbraw/zinc/36/54/85/1195365485.db2.gz OBWNXDAECZZASD-JTQLQIEISA-N 0 0 311.303 3.367 20 10 DGCDRN C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC001650733879 1195376844 /nfs/dbraw/zinc/37/68/44/1195376844.db2.gz SJYNCUIBURMQBH-XPTSAGLGSA-N 0 0 315.244 3.271 20 10 DGCDRN O=[N+]([O-])c1ccc(NCc2cc(Cl)ccc2O)c([N+](=O)[O-])c1 ZINC001651218947 1195427726 /nfs/dbraw/zinc/42/77/26/1195427726.db2.gz DQOGXBLSJWZGOF-UHFFFAOYSA-N 0 0 323.692 3.474 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC001651225582 1195429425 /nfs/dbraw/zinc/42/94/25/1195429425.db2.gz PPVQQKKVALEJQA-HZSPNIEDSA-N 0 0 303.402 3.321 20 10 DGCDRN Oc1ccc(O)c(CNc2ncnc3cc(Cl)ccc32)c1 ZINC001651380800 1195451956 /nfs/dbraw/zinc/45/19/56/1195451956.db2.gz KLZCBQCVTWYKIJ-UHFFFAOYSA-N 0 0 301.733 3.307 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1ccccc1OCC1CC1 ZINC001652295479 1195577397 /nfs/dbraw/zinc/57/73/97/1195577397.db2.gz LDTCDIISFMZPLL-UHFFFAOYSA-N 0 0 315.344 3.250 20 10 DGCDRN COC(=O)/C=C/c1ccc(N2CC[C@@H]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC001652330369 1195583649 /nfs/dbraw/zinc/58/36/49/1195583649.db2.gz RRLPRQODIZGZKL-PMGBHYCQSA-N 0 0 318.373 3.406 20 10 DGCDRN COCCC1(C(=O)NCc2c(O)ccc3ccccc32)CCC1 ZINC001652708572 1195638572 /nfs/dbraw/zinc/63/85/72/1195638572.db2.gz IGTJTEUOAYKYEI-UHFFFAOYSA-N 0 0 313.397 3.368 20 10 DGCDRN OC[C@@H]1CCCN(Cc2ccc(Cl)cc2O)[C@@H]1C(F)(F)F ZINC001652731656 1195642939 /nfs/dbraw/zinc/64/29/39/1195642939.db2.gz OARVIPYCEGUJKJ-GWCFXTLKSA-N 0 0 323.742 3.181 20 10 DGCDRN COc1ccc(N(C)Cc2ccc(C)c(OC)n2)cc1OC ZINC001652737207 1195643420 /nfs/dbraw/zinc/64/34/20/1195643420.db2.gz QDYPURXAHRNUSO-UHFFFAOYSA-N 0 0 302.374 3.052 20 10 DGCDRN COC(=O)c1cnc(SCc2cccc3nsnc32)s1 ZINC001652853301 1195660961 /nfs/dbraw/zinc/66/09/61/1195660961.db2.gz GMXHNBGXYMJSTR-UHFFFAOYSA-N 0 0 323.424 3.227 20 10 DGCDRN Oc1cc(Cl)ccc1C[N@@H+]1CC[C@H](OCc2ccccn2)C1 ZINC001652878984 1195664623 /nfs/dbraw/zinc/66/46/23/1195664623.db2.gz YPAFKYLJVBNJGB-INIZCTEOSA-N 0 0 318.804 3.232 20 10 DGCDRN COc1ccc(N(C)C[C@@H]2CC[C@@H](C(F)(F)F)O2)c(OC)c1 ZINC001652957670 1195674967 /nfs/dbraw/zinc/67/49/67/1195674967.db2.gz NDKVNVLTXZSKHA-FZMZJTMJSA-N 0 0 319.323 3.250 20 10 DGCDRN COc1ccc(N(C)C[C@@H]2CC[C@H](C(F)(F)F)O2)c(OC)c1 ZINC001652957672 1195675016 /nfs/dbraw/zinc/67/50/16/1195675016.db2.gz NDKVNVLTXZSKHA-SMDDNHRTSA-N 0 0 319.323 3.250 20 10 DGCDRN COc1ccc(N(C)C[C@H]2CC[C@@H](C(F)(F)F)O2)c(OC)c1 ZINC001652957671 1195675068 /nfs/dbraw/zinc/67/50/68/1195675068.db2.gz NDKVNVLTXZSKHA-RISCZKNCSA-N 0 0 319.323 3.250 20 10 DGCDRN CNC(=O)N(C)c1ccc(NCc2ccc(Cl)cc2O)cc1 ZINC001653028428 1195681368 /nfs/dbraw/zinc/68/13/68/1195681368.db2.gz LXRASXGYSMJKKE-UHFFFAOYSA-N 0 0 319.792 3.433 20 10 DGCDRN Cc1ccc(C(=O)NCc2cccc(Cl)c2O)c(O)c1C ZINC001653567378 1195735381 /nfs/dbraw/zinc/73/53/81/1195735381.db2.gz WVUZPSAPYBNPLE-UHFFFAOYSA-N 0 0 305.761 3.298 20 10 DGCDRN Cc1cc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)c(C)n1-c1ccccc1 ZINC001653997223 1195766218 /nfs/dbraw/zinc/76/62/18/1195766218.db2.gz LBLLOUQKBVEMMD-IPMKNSEASA-N 0 0 324.424 3.073 20 10 DGCDRN Cc1ccc(CCCNC(=O)c2c(F)ccc(O)c2O)c(C)c1 ZINC001654126421 1195777540 /nfs/dbraw/zinc/77/75/40/1195777540.db2.gz KQRBCMIWAORWBO-UHFFFAOYSA-N 0 0 317.360 3.216 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2nccc3ccncc32)cc1 ZINC001654546495 1195816115 /nfs/dbraw/zinc/81/61/15/1195816115.db2.gz SITLETLZOQSKIM-UHFFFAOYSA-N 0 0 320.312 3.045 20 10 DGCDRN COc1ccc(N(CC[C@H](C)O)Cc2ccccc2)cc1OC ZINC001655149146 1195882922 /nfs/dbraw/zinc/88/29/22/1195882922.db2.gz YQWIOWXHRFLMAW-HNNXBMFYSA-N 0 0 315.413 3.481 20 10 DGCDRN CCOc1ccc(N(CC2CC2)C[C@@H]2CN(CC)C(=O)O2)cc1 ZINC001655333242 1195904411 /nfs/dbraw/zinc/90/44/11/1195904411.db2.gz JQXUPTVXLVOCEX-KRWDZBQOSA-N 0 0 318.417 3.142 20 10 DGCDRN COc1ccc(N(C)CCN(C)c2ccccc2[N+](=O)[O-])cc1 ZINC001655639423 1195943876 /nfs/dbraw/zinc/94/38/76/1195943876.db2.gz RHXKLPKPXJWLPJ-UHFFFAOYSA-N 0 0 315.373 3.176 20 10 DGCDRN CN(C)C(=O)c1cccc(NCc2cc(Cl)cc(F)c2O)c1 ZINC001655827054 1195967909 /nfs/dbraw/zinc/96/79/09/1195967909.db2.gz RRTMWIXZKLNNLW-UHFFFAOYSA-N 0 0 322.767 3.499 20 10 DGCDRN CCOc1cccc(CC[NH2+]Cc2cc(F)cc(F)c2[O-])c1 ZINC001655947651 1195981149 /nfs/dbraw/zinc/98/11/49/1195981149.db2.gz KNJVORCWCIMHAZ-UHFFFAOYSA-N 0 0 307.340 3.401 20 10 DGCDRN Nc1ccc(CC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 ZINC000071700265 1195982094 /nfs/dbraw/zinc/98/20/94/1195982094.db2.gz IKOITCSZBGIMIS-UHFFFAOYSA-N 0 0 317.392 3.436 20 10 DGCDRN COC(=O)c1cnc(S[C@H](C(C)=O)c2ccccc2)s1 ZINC001656581269 1196052284 /nfs/dbraw/zinc/05/22/84/1196052284.db2.gz XMLIWHHABMPBFE-GFCCVEGCSA-N 0 0 307.396 3.352 20 10 DGCDRN Cc1cccc(OCCC[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC001656676763 1196060646 /nfs/dbraw/zinc/06/06/46/1196060646.db2.gz IYTPAWWHYXSRBN-UHFFFAOYSA-N 0 0 316.357 3.168 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1nnc2ccccn21 ZINC001656703540 1196063667 /nfs/dbraw/zinc/06/36/67/1196063667.db2.gz ZLWKEYMVUCERND-SECBINFHSA-N 0 0 320.755 3.078 20 10 DGCDRN CC(C)c1ccc(O)c(CN2CCO[C@H](C(F)(F)F)C2)c1 ZINC001657297100 1196128549 /nfs/dbraw/zinc/12/85/49/1196128549.db2.gz KOJGXTVSWXXGBY-AWEZNQCLSA-N 0 0 303.324 3.279 20 10 DGCDRN CCCCO[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1(C)C ZINC001657377413 1196135793 /nfs/dbraw/zinc/13/57/93/1196135793.db2.gz ZYOKNAJDMBBKEV-HOTGVXAUSA-N 0 0 322.405 3.374 20 10 DGCDRN [O-]c1c(C[NH2+]CCc2ccc(F)c(F)c2F)ccc(F)c1F ZINC001657526244 1196151561 /nfs/dbraw/zinc/15/15/61/1196151561.db2.gz IXFCDHKQTZHSNH-UHFFFAOYSA-N 0 0 317.257 3.420 20 10 DGCDRN Oc1cc(F)c(F)cc1CNc1ccc(Br)nc1 ZINC001657610678 1196159088 /nfs/dbraw/zinc/15/90/88/1196159088.db2.gz XHPBGVNDKHILIL-UHFFFAOYSA-N 0 0 315.117 3.440 20 10 DGCDRN COc1ccc(NCc2ccc(N3CCCC3)cc2)c(OC)n1 ZINC001657612165 1196161093 /nfs/dbraw/zinc/16/10/93/1196161093.db2.gz BNLGOYIQJVGPOW-UHFFFAOYSA-N 0 0 313.401 3.311 20 10 DGCDRN COC(=O)c1csc(CN(C)c2ccc(OC)cc2OC)c1 ZINC001657869057 1196188614 /nfs/dbraw/zinc/18/86/14/1196188614.db2.gz JCTZZDGVMNWCEF-UHFFFAOYSA-N 0 0 321.398 3.188 20 10 DGCDRN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H](CO)CC(C)(C)C ZINC001658117495 1196213545 /nfs/dbraw/zinc/21/35/45/1196213545.db2.gz XNVALYHJPLZKRN-LLVKDONJSA-N 0 0 303.805 3.414 20 10 DGCDRN COC(=O)[C@H](CC(C)(C)C)NCc1cc(Cl)c(C)cc1O ZINC001658417756 1196254633 /nfs/dbraw/zinc/25/46/33/1196254633.db2.gz AQAIODFYMAIPFY-ZDUSSCGKSA-N 0 0 313.825 3.421 20 10 DGCDRN COc1cc(C[N@H+](C)Cc2cc(F)c(F)cc2[O-])ccc1O ZINC001658715311 1196292429 /nfs/dbraw/zinc/29/24/29/1196292429.db2.gz AIFAHGNMDMZIOM-UHFFFAOYSA-N 0 0 309.312 3.017 20 10 DGCDRN COc1cc(C)c(C[N@@H+]2CCS[C@H](C(F)(F)F)C2)c(O)c1 ZINC001658908711 1196318246 /nfs/dbraw/zinc/31/82/46/1196318246.db2.gz LZVMUTZGHZEYMP-ZDUSSCGKSA-N 0 0 321.364 3.189 20 10 DGCDRN Cn1c(=O)ccc2ccc(NCc3cc(F)c(F)cc3O)cc21 ZINC001659018876 1196332180 /nfs/dbraw/zinc/33/21/80/1196332180.db2.gz VYCNMFJGPATPRN-UHFFFAOYSA-N 0 0 316.307 3.134 20 10 DGCDRN COc1ccc(N(C)CC(=O)NC2(c3ccccc3)CCC2)cc1 ZINC001659288384 1196368301 /nfs/dbraw/zinc/36/83/01/1196368301.db2.gz MJIYMCWWUWQUIE-UHFFFAOYSA-N 0 0 324.424 3.327 20 10 DGCDRN CCC1(C)CN(Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1 ZINC001659410640 1196380597 /nfs/dbraw/zinc/38/05/97/1196380597.db2.gz BSBPTMVJKXRJGN-UHFFFAOYSA-N 0 0 318.392 3.336 20 10 DGCDRN CCOC(=O)C[C@@](C)([NH2+]Cc1ccc(F)c(F)c1[O-])C(C)C ZINC001659552246 1196394539 /nfs/dbraw/zinc/39/45/39/1196394539.db2.gz ZUFPRHDBDVEVQB-MRXNPFEDSA-N 0 0 315.360 3.128 20 10 DGCDRN COc1cc(C)c(CNc2ccc3c(c2)COC(=O)N3)c(O)c1 ZINC001659659603 1196403742 /nfs/dbraw/zinc/40/37/42/1196403742.db2.gz BRLUXJLXRBPELF-UHFFFAOYSA-N 0 0 314.341 3.383 20 10 DGCDRN Cc1cc(O)c(CN2C[C@@H](CO)c3ccccc32)c(Cl)c1 ZINC001659846885 1196421473 /nfs/dbraw/zinc/42/14/73/1196421473.db2.gz KWBPYCLPGJLMEM-LBPRGKRZSA-N 0 0 303.789 3.450 20 10 DGCDRN COC(C)(C)[C@@H](C)[NH2+]Cc1cc(Br)cc(C)c1O ZINC001660051043 1196441262 /nfs/dbraw/zinc/44/12/62/1196441262.db2.gz DEFVWIQDDYIHLO-SNVBAGLBSA-N 0 0 316.239 3.366 20 10 DGCDRN COc1cc(C)c(CNc2ccc(N3CCCC3)cn2)c(O)c1 ZINC001660090615 1196444316 /nfs/dbraw/zinc/44/43/16/1196444316.db2.gz JDXDREJBTFWBFB-UHFFFAOYSA-N 0 0 313.401 3.317 20 10 DGCDRN COc1cc(CC[NH2+]Cc2cccc(Cl)c2[O-])cc(OC)c1 ZINC001660249614 1196461707 /nfs/dbraw/zinc/46/17/07/1196461707.db2.gz FMZDFAPJIACZSZ-UHFFFAOYSA-N 0 0 321.804 3.395 20 10 DGCDRN CN(C)c1ccc(/C=C\C[NH2+]Cc2c([O-])cccc2F)cc1 ZINC001660743142 1196518143 /nfs/dbraw/zinc/51/81/43/1196518143.db2.gz XBGZNKQDUPPKCV-PLNGDYQASA-N 0 0 300.377 3.400 20 10 DGCDRN Cc1cc(CN2NC(=O)C[C@@H]2c2ccccc2)ccc1N(C)C ZINC001660743517 1196518434 /nfs/dbraw/zinc/51/84/34/1196518434.db2.gz IEAMZBCMTKVBDM-GOSISDBHSA-N 0 0 309.413 3.039 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCCCc2ccccc2)c1 ZINC001660820887 1196529571 /nfs/dbraw/zinc/52/95/71/1196529571.db2.gz RGKXPPDCTUVSJY-UHFFFAOYSA-N 0 0 300.358 3.413 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC001662539953 1196728890 /nfs/dbraw/zinc/72/88/90/1196728890.db2.gz GIWMUCGBYMFWSS-AWEZNQCLSA-N 0 0 313.731 3.147 20 10 DGCDRN COC(=O)c1c(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c2cc(F)ccc2n1C ZINC001663591961 1196910020 /nfs/dbraw/zinc/91/00/20/1196910020.db2.gz YCJNATRBAMNENZ-RYUDHWBXSA-N 0 0 318.392 3.334 20 10 DGCDRN COC[C@@H]([NH2+]Cc1cc(F)c(F)cc1[O-])c1cccc(OC)c1 ZINC001665189931 1197107117 /nfs/dbraw/zinc/10/71/17/1197107117.db2.gz NOTOSTJHORVSBH-MRXNPFEDSA-N 0 0 323.339 3.156 20 10 DGCDRN Oc1ccc2c(c1)CN(Cc1c(O)cccc1Br)C2 ZINC001665281957 1197118747 /nfs/dbraw/zinc/11/87/47/1197118747.db2.gz UJCPNMUNIQWSGD-UHFFFAOYSA-N 0 0 320.186 3.376 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2cc(C)cc([N+](=O)[O-])c2)c1 ZINC001665333281 1197124252 /nfs/dbraw/zinc/12/42/52/1197124252.db2.gz NYQISMZSMHFZID-UHFFFAOYSA-N 0 0 315.329 3.239 20 10 DGCDRN Cc1cccc(F)c1CNC(=O)NCc1cccc(Cl)c1O ZINC001669535738 1197461472 /nfs/dbraw/zinc/46/14/72/1197461472.db2.gz FSMQBFWYYLDQEV-UHFFFAOYSA-N 0 0 322.767 3.493 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H](C)C1CCC1 ZINC001671294995 1197534662 /nfs/dbraw/zinc/53/46/62/1197534662.db2.gz ZPTLQQIUXFPGBF-CABCVRRESA-N 0 0 317.477 3.480 20 10 DGCDRN C[C@H](NC(=O)NC[C@@H]1C[C@@H]1[C@H]1C[C@H]1C)c1ccc(N(C)C)cc1 ZINC001671852160 1197575666 /nfs/dbraw/zinc/57/56/66/1197575666.db2.gz RYGCXMBOOOHKAB-KDDMCQSNSA-N 0 0 315.461 3.405 20 10 DGCDRN Cc1cn2ccc(NC(=O)N[C@@H](C)c3ccccc3O)cc2n1 ZINC001671914936 1197585081 /nfs/dbraw/zinc/58/50/81/1197585081.db2.gz XIOOQKZELVFTHN-LBPRGKRZSA-N 0 0 310.357 3.231 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Nc1cnc(F)c(Cl)c1 ZINC001673230918 1197645656 /nfs/dbraw/zinc/64/56/56/1197645656.db2.gz PYAZGTWUSPPNRZ-UHFFFAOYSA-N 0 0 309.728 3.244 20 10 DGCDRN Cc1cc(CNC(=O)Nc2ncccn2)c(C)n1-c1ccccc1 ZINC001673249159 1197646931 /nfs/dbraw/zinc/64/69/31/1197646931.db2.gz YJFFYMBGPHQUBC-UHFFFAOYSA-N 0 0 321.384 3.206 20 10 DGCDRN C[C@H](NC(=O)Nc1ccn(-c2ccccc2)n1)c1ccccc1O ZINC001673723610 1197687669 /nfs/dbraw/zinc/68/76/69/1197687669.db2.gz SVTHAVYWYYFALQ-ZDUSSCGKSA-N 0 0 322.368 3.461 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC[C@H](C)C1 ZINC001673738102 1197688515 /nfs/dbraw/zinc/68/85/15/1197688515.db2.gz UYHINURUDMNYPD-GOEBONIOSA-N 0 0 317.477 3.434 20 10 DGCDRN CCn1ncc2ccc(NC(=O)NCc3cc(C)ccc3O)cc21 ZINC001674016007 1197721374 /nfs/dbraw/zinc/72/13/74/1197721374.db2.gz SZYLNNQHPPEWFZ-UHFFFAOYSA-N 0 0 324.384 3.392 20 10 DGCDRN COc1nscc1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001674176069 1197743238 /nfs/dbraw/zinc/74/32/38/1197743238.db2.gz VXZZELAAQCJLJB-SNVBAGLBSA-N 0 0 320.418 3.100 20 10 DGCDRN CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)NCc1ccccc1O ZINC001674643747 1197817969 /nfs/dbraw/zinc/81/79/69/1197817969.db2.gz JTMWPHZWVMQYLB-IRXDYDNUSA-N 0 0 310.397 3.384 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1cnccc1C(F)(F)F ZINC001674719260 1197847610 /nfs/dbraw/zinc/84/76/10/1197847610.db2.gz AZUJVEDQYLROTP-UHFFFAOYSA-N 0 0 311.263 3.128 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)cc1 ZINC001675052708 1197978225 /nfs/dbraw/zinc/97/82/25/1197978225.db2.gz KUTHAXDENGIJRE-DLBZAZTESA-N 0 0 315.461 3.473 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CC23CCC3)cc1 ZINC001675533068 1198086401 /nfs/dbraw/zinc/08/64/01/1198086401.db2.gz UUUBTHTUDFSCRC-INIZCTEOSA-N 0 0 301.434 3.275 20 10 DGCDRN Cc1cc(NC(=O)N2Cc3cccc(O)c3C2)ccc1[N+](=O)[O-] ZINC001675850114 1198157256 /nfs/dbraw/zinc/15/72/56/1198157256.db2.gz IJPXUXMQCABRBZ-UHFFFAOYSA-N 0 0 313.313 3.157 20 10 DGCDRN C[C@H]1CC(C)(C)CN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC001676134940 1198234064 /nfs/dbraw/zinc/23/40/64/1198234064.db2.gz GZGJOAQFQZYJEO-AWEZNQCLSA-N 0 0 315.461 3.399 20 10 DGCDRN Cc1ccccc1C[C@H](C)NC(=O)NCc1c(O)cccc1F ZINC001676478054 1198332503 /nfs/dbraw/zinc/33/25/03/1198332503.db2.gz UOJXZZYNAMTTOF-ZDUSSCGKSA-N 0 0 316.376 3.270 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC[C@]23C[C@H]2CCCC3)cc1 ZINC001676943510 1198439497 /nfs/dbraw/zinc/43/94/97/1198439497.db2.gz PUNHZHQEBVWFOH-QAPCUYQASA-N 0 0 301.434 3.132 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC23CCC3)cc1F ZINC001678606632 1198709436 /nfs/dbraw/zinc/70/94/36/1198709436.db2.gz OIAYUVNLHCFLIJ-MRXNPFEDSA-N 0 0 319.424 3.414 20 10 DGCDRN CC[C@@](C)(NC(=O)NCc1ccc(N(C)C)cc1C)C1CC1 ZINC001678957362 1198743614 /nfs/dbraw/zinc/74/36/14/1198743614.db2.gz YAYRHACKTVUOAZ-GOSISDBHSA-N 0 0 303.450 3.439 20 10 DGCDRN COc1cccc(Cl)c1NC(=O)NCc1ccccc1O ZINC001680054281 1198852230 /nfs/dbraw/zinc/85/22/30/1198852230.db2.gz NDSCPIFGAYNWFM-UHFFFAOYSA-N 0 0 306.749 3.376 20 10 DGCDRN CCC1(CC)[C@H](NC(=O)N2Cc3cccc(O)c3C2)C[C@H]1OC ZINC001680882286 1198921465 /nfs/dbraw/zinc/92/14/65/1198921465.db2.gz KTLGIZXBYZZHOG-HZPDHXFCSA-N 0 0 318.417 3.011 20 10 DGCDRN C[C@H](NC(=O)NCc1cccc(Cl)c1O)c1cncc(F)c1 ZINC001681884411 1199095156 /nfs/dbraw/zinc/09/51/56/1199095156.db2.gz OTTPMHUFMSJJRQ-VIFPVBQESA-N 0 0 323.755 3.140 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c1 ZINC001683303963 1199256768 /nfs/dbraw/zinc/25/67/68/1199256768.db2.gz SXZVMXZNQKFJKB-LBPRGKRZSA-N 0 0 324.384 3.137 20 10 DGCDRN CCC[C@H]1CCCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001683336665 1199260930 /nfs/dbraw/zinc/26/09/30/1199260930.db2.gz ODULCKZQAUGUQW-AWEZNQCLSA-N 0 0 307.413 3.366 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H](C)C1(C)CC1 ZINC001683426284 1199270153 /nfs/dbraw/zinc/27/01/53/1199270153.db2.gz WPQPUFNFBOAPQB-LSDHHAIUSA-N 0 0 317.477 3.480 20 10 DGCDRN Cc1cccc(F)c1CNC(=O)N[C@H](C)c1ccccc1O ZINC001684937072 1199428175 /nfs/dbraw/zinc/42/81/75/1199428175.db2.gz WVAAXIWOLSQABP-GFCCVEGCSA-N 0 0 302.349 3.400 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC[C@H]2C[C@H]2C2CCCC2)c1 ZINC001685785174 1199507651 /nfs/dbraw/zinc/50/76/51/1199507651.db2.gz HGJMUYGMJIMMIL-ZBFHGGJFSA-N 0 0 302.418 3.326 20 10 DGCDRN CC/C=C\CNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001686574019 1199573147 /nfs/dbraw/zinc/57/31/47/1199573147.db2.gz LWSUUBSRYLAGGN-LZNQSLFOSA-N 0 0 303.450 3.257 20 10 DGCDRN Cc1cc(NS(=O)(=O)c2ccc3c(c2)CCC3)c(C)cc1O ZINC000319770095 1199841373 /nfs/dbraw/zinc/84/13/73/1199841373.db2.gz QWDFQXSWCHXRJA-UHFFFAOYSA-N 0 0 317.410 3.299 20 10 DGCDRN CCc1nnc(NCc2ccc(N3CCCC3)cc2)nc1CC ZINC000192062425 1203287140 /nfs/dbraw/zinc/28/71/40/1203287140.db2.gz DPNAETUNKQUBEJ-UHFFFAOYSA-N 0 0 311.433 3.209 20 10 DGCDRN C[C@H]1C[C@@H]1n1c(N(C)Cc2ccccc2O)nnc1C(C)(C)C ZINC001726494327 1204297542 /nfs/dbraw/zinc/29/75/42/1204297542.db2.gz FBJMEOGFGYCDOQ-JSGCOSHPSA-N 0 0 314.433 3.499 20 10 DGCDRN CCN(CC)c1ccc(CNc2ncnc3nc(N)ccc32)cc1 ZINC000179507992 1204315781 /nfs/dbraw/zinc/31/57/81/1204315781.db2.gz YRALAOMSGURZBN-UHFFFAOYSA-N 0 0 322.416 3.065 20 10 DGCDRN O=C([O-])[C@H]([NH2+]Cc1ccc(Cl)cc1O)c1ccc(F)cc1 ZINC001594842245 954089411 /nfs/dbraw/zinc/08/94/11/954089411.db2.gz BGLYTVNAYOAPQC-CQSZACIVSA-N 0 0 309.724 3.100 20 10 DGCDRN Cc1cc(C[NH2+][C@H](C(=O)[O-])C(C)C)ccc1N1CCCCC1 ZINC001594303729 957937120 /nfs/dbraw/zinc/93/71/20/957937120.db2.gz DILQTOLURSYARM-KRWDZBQOSA-N 0 0 304.434 3.184 20 10 DGCDRN COc1cc(Cl)cc(C[NH2+]Cc2cccc(C(=O)[O-])c2)c1O ZINC001594058867 958070805 /nfs/dbraw/zinc/07/08/05/958070805.db2.gz LYZLACCSIKGGOF-UHFFFAOYSA-N 0 0 321.760 3.042 20 10 DGCDRN COc1ccc(C[NH2+][C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1C ZINC001594094379 958386309 /nfs/dbraw/zinc/38/63/09/958386309.db2.gz IZMAGBPSZVEUCA-SJORKVTESA-N 0 0 311.381 3.406 20 10 DGCDRN CC[C@]1(C(=O)[O-])CCC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001603609387 973875275 /nfs/dbraw/zinc/87/52/75/973875275.db2.gz JJDMAIABLHLDLR-INIZCTEOSA-N 0 0 311.809 3.431 20 10 DGCDRN CCN(C)c1ccc(C[N@@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])cc1 ZINC001603724155 974159127 /nfs/dbraw/zinc/15/91/27/974159127.db2.gz NGXUVRIJCNVRMR-LJQANCHMSA-N 0 0 324.424 3.327 20 10 DGCDRN CN(C)c1ccc(C[N@H+](CCC(=O)[O-])Cc2ccccc2)cc1 ZINC000692428634 976467956 /nfs/dbraw/zinc/46/79/56/976467956.db2.gz OOMMZHKBIUJJAU-UHFFFAOYSA-N 0 0 312.413 3.230 20 10 DGCDRN CC(C)c1ccc(O)c(C[NH2+][C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC001591974085 976585237 /nfs/dbraw/zinc/58/52/37/976585237.db2.gz MTCUCSFSVCSWIQ-KRWDZBQOSA-N 0 0 313.397 3.301 20 10 DGCDRN C[C@](C[NH2+]Cc1cc(Cl)ccc1O)(C(=O)[O-])c1ccccc1 ZINC001592710870 979199178 /nfs/dbraw/zinc/19/91/78/979199178.db2.gz YFFYIQUFZVZSTP-QGZVFWFLSA-N 0 0 319.788 3.178 20 10 DGCDRN CCc1cccc(C[NH2+]Cc2ccc(C(=O)[O-])cc2F)c1O ZINC001597586844 988406183 /nfs/dbraw/zinc/40/61/83/988406183.db2.gz MCYXASFQQLXVPV-UHFFFAOYSA-N 0 0 303.333 3.082 20 10 DGCDRN CCc1cnc(CC[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)s1 ZINC001597627057 988580676 /nfs/dbraw/zinc/58/06/76/988580676.db2.gz ANTAMDHOYCBMJO-JTQLQIEISA-N 0 0 320.414 3.003 20 10 DGCDRN C[N@H+](Cc1ccc(C(=O)[O-])cc1)Cc1cc2c(cc1O)CCC2 ZINC001598513286 992587928 /nfs/dbraw/zinc/58/79/28/992587928.db2.gz SHNRBXVWRLHSOG-UHFFFAOYSA-N 0 0 311.381 3.211 20 10 DGCDRN COc1ccc(O)c([C@H](C)[NH2+][C@H](C)CC(C)(C)CC(=O)[O-])c1 ZINC001599598279 993777745 /nfs/dbraw/zinc/77/77/45/993777745.db2.gz KKKNBHDZBSUPNJ-NEPJUHHUSA-N 0 0 309.406 3.331 20 10 DGCDRN COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CC(C)(C)CC(=O)[O-])c1 ZINC001599598285 993777937 /nfs/dbraw/zinc/77/79/37/993777937.db2.gz KKKNBHDZBSUPNJ-VXGBXAGGSA-N 0 0 309.406 3.331 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCCC12CCOCC2)c1cc(C(=O)[O-])ccc1O ZINC001593225808 994349757 /nfs/dbraw/zinc/34/97/57/994349757.db2.gz YJQAKCYUCLTLPA-MLGOLLRUSA-N 0 0 319.401 3.090 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)c1cc(C(=O)[O-])ccc1O ZINC001593230044 994357016 /nfs/dbraw/zinc/35/70/16/994357016.db2.gz BFEUYJSZAGBQHV-DETPVDSQSA-N 0 0 321.417 3.335 20 10 DGCDRN C[C@@H]([NH2+]CC(C)(C)C(C)(F)F)c1cc(C(=O)[O-])ccc1O ZINC001593241197 994436151 /nfs/dbraw/zinc/43/61/51/994436151.db2.gz XHRHFKRBJNSCFO-SECBINFHSA-N 0 0 301.333 3.422 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1cc(C(=O)[O-])ccc1O ZINC001593251726 994499367 /nfs/dbraw/zinc/49/93/67/994499367.db2.gz KSFDAOGGPFAFCW-GIYVSIDVSA-N 0 0 323.392 3.327 20 10 DGCDRN C[C@@H]([NH2+]CC1Cc2ccccc2C1)c1cc(C(=O)[O-])ccc1O ZINC001593258219 994539656 /nfs/dbraw/zinc/53/96/56/994539656.db2.gz XURNFRJLNGUWPY-GFCCVEGCSA-N 0 0 311.381 3.156 20 10 DGCDRN C[C@@H]([NH2+]CCC[C@H]1CCCCO1)c1cc(C(=O)[O-])ccc1O ZINC001593264428 994565759 /nfs/dbraw/zinc/56/57/59/994565759.db2.gz KIHFAABAYPMXHY-TZMCWYRMSA-N 0 0 307.390 3.090 20 10 DGCDRN C[C@H]([NH2+]CCCNc1ccccc1)c1cc(C(=O)[O-])ccc1O ZINC001593267130 994586815 /nfs/dbraw/zinc/58/68/15/994586815.db2.gz LJLAUIYTZBKOMC-ZDUSSCGKSA-N 0 0 314.385 3.243 20 10 DGCDRN C[C@H]1CC[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C[C@@H]1F ZINC001594422727 999575293 /nfs/dbraw/zinc/57/52/93/999575293.db2.gz IQVCOBSOOIDZHT-HZMBPMFUSA-N 0 0 322.355 3.196 20 10 DGCDRN [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC001236798757 1099792610 /nfs/dbraw/zinc/79/26/10/1099792610.db2.gz LPLCBZHOGRDYGA-ONGXEEELSA-N 0 0 302.201 3.167 20 10 DGCDRN CCOC(=O)CN(CC)Cc1c(O)ccc(Cl)c1Cl ZINC001237084572 1099962383 /nfs/dbraw/zinc/96/23/83/1099962383.db2.gz KQAPMDJDACVGAY-UHFFFAOYSA-N 0 0 306.189 3.084 20 10 DGCDRN CC[NH+]1CCC(N(C)Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237127257 1099983460 /nfs/dbraw/zinc/98/34/60/1099983460.db2.gz XYFWIZLYOMJOBH-UHFFFAOYSA-N 0 0 300.805 3.101 20 10 DGCDRN COC(=O)c1cccc2cnc(NCc3ccc(O)c(O)c3)cc21 ZINC001169990322 1081792292 /nfs/dbraw/zinc/79/22/92/1081792292.db2.gz FMADOSGMCFWXFZ-UHFFFAOYSA-N 0 0 324.336 3.045 20 10 DGCDRN CN(c1ccccc1)c1cc(NCc2ccc(O)c(O)c2)ncn1 ZINC001169993156 1081798165 /nfs/dbraw/zinc/79/81/65/1081798165.db2.gz OWABREWEBHBRLO-UHFFFAOYSA-N 0 0 322.368 3.268 20 10 DGCDRN CC(C)(C)c1cc(Cl)nnc1NCc1ccc(O)c(O)c1 ZINC001169993766 1081807365 /nfs/dbraw/zinc/80/73/65/1081807365.db2.gz RBOIEHHAWMIXLR-UHFFFAOYSA-N 0 0 307.781 3.451 20 10 DGCDRN Cc1cc(NCc2ccc(O)c(O)c2)nc(-c2ccccc2)n1 ZINC001169994082 1081811034 /nfs/dbraw/zinc/81/10/34/1081811034.db2.gz YOPIUNVBAJJOHO-UHFFFAOYSA-N 0 0 307.353 3.475 20 10 DGCDRN COC(=O)c1ccc(NCc2ccc(O)c(O)c2)c2cccnc12 ZINC001169994839 1081816683 /nfs/dbraw/zinc/81/66/83/1081816683.db2.gz JYNVNTDBERWKIA-UHFFFAOYSA-N 0 0 324.336 3.045 20 10 DGCDRN CC1(C)OCC[C@@H]1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000693067610 1081904252 /nfs/dbraw/zinc/90/42/52/1081904252.db2.gz XFQVOUSOCPKXLG-LLVKDONJSA-N 0 0 314.223 3.059 20 10 DGCDRN Nc1ccnc(-c2cc(Nc3cccc(Cl)c3O)ccn2)c1 ZINC001210219529 1081923363 /nfs/dbraw/zinc/92/33/63/1081923363.db2.gz QVXVFQYTSQZZLY-UHFFFAOYSA-N 0 0 312.760 3.250 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)COC(C)C ZINC001143379547 1081930606 /nfs/dbraw/zinc/93/06/06/1081930606.db2.gz AGFKTXFPGFCPCI-QGZVFWFLSA-N 0 0 305.418 3.174 20 10 DGCDRN C[C@@H](NC(=O)c1ccccc1OC(F)F)c1ccccc1O ZINC001648889656 1081953965 /nfs/dbraw/zinc/95/39/65/1081953965.db2.gz GRQGEYNLGYBPJL-SNVBAGLBSA-N 0 0 307.296 3.485 20 10 DGCDRN CC(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2O)c(F)c1 ZINC001648889578 1081954142 /nfs/dbraw/zinc/95/41/42/1081954142.db2.gz BYGAULDZJRBFMA-SNVBAGLBSA-N 0 0 301.317 3.225 20 10 DGCDRN COc1ccc2[nH]cc(CC(=O)N[C@H](C)c3ccccc3O)c2c1 ZINC001648889648 1081954149 /nfs/dbraw/zinc/95/41/49/1081954149.db2.gz GGYBFIGALFRHLP-GFCCVEGCSA-N 0 0 324.380 3.302 20 10 DGCDRN COc1ccccc1SCC(=O)N[C@H](C)c1ccccc1O ZINC001648889615 1081954406 /nfs/dbraw/zinc/95/44/06/1081954406.db2.gz DTQOQTZOLAFJPK-GFCCVEGCSA-N 0 0 317.410 3.370 20 10 DGCDRN C[C@@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccccc1O ZINC001648892250 1081955909 /nfs/dbraw/zinc/95/59/09/1081955909.db2.gz SIINHHXECCUURS-YPUOHESYSA-N 0 0 311.337 3.012 20 10 DGCDRN C[C@@H](NC(=O)c1ccc2c(C=O)c[nH]c2c1)c1ccccc1O ZINC001648892294 1081955966 /nfs/dbraw/zinc/95/59/66/1081955966.db2.gz URSKFFSLQGCVRJ-LLVKDONJSA-N 0 0 308.337 3.177 20 10 DGCDRN Oc1cccc(Cl)c1CN1CCOC[C@H]1c1cccnc1 ZINC001140342185 1082145343 /nfs/dbraw/zinc/14/53/43/1082145343.db2.gz WILOBLFLWHPDCB-HNNXBMFYSA-N 0 0 304.777 3.014 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCc1cc2ccccc2o1 ZINC000588403251 1082146911 /nfs/dbraw/zinc/14/69/11/1082146911.db2.gz BEEYGILUQCAMLM-VURMDHGXSA-N 0 0 309.321 3.174 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc2ncccc2c1 ZINC000588403629 1082147517 /nfs/dbraw/zinc/14/75/17/1082147517.db2.gz RLJVQUHPRILFOW-YWEYNIOJSA-N 0 0 306.321 3.298 20 10 DGCDRN Cc1ccc(CCNC(=O)/C=C\c2ccc(O)c(O)c2)c(C)c1 ZINC000588406062 1082151910 /nfs/dbraw/zinc/15/19/10/1082151910.db2.gz CMIKSJPDPYNHBL-YVMONPNESA-N 0 0 311.381 3.087 20 10 DGCDRN COc1c(C)ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1C ZINC000588406340 1082152516 /nfs/dbraw/zinc/15/25/16/1082152516.db2.gz RWQIAQJMJRTFIX-TWGQIWQCSA-N 0 0 313.353 3.375 20 10 DGCDRN Cc1cccc(C(C)(C)NC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000588407034 1082154974 /nfs/dbraw/zinc/15/49/74/1082154974.db2.gz NBXSBUGCFLEBCS-NTMALXAHSA-N 0 0 311.381 3.471 20 10 DGCDRN CC(C)C[C@@H]1CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000588407821 1082162143 /nfs/dbraw/zinc/16/21/43/1082162143.db2.gz ZNJAPRMTMOGTQX-LYASGUKUSA-N 0 0 303.402 3.396 20 10 DGCDRN CC(C)(CNC(=O)/C=C\c1ccc(O)c(O)c1)C1CCCC1 ZINC000588408555 1082163751 /nfs/dbraw/zinc/16/37/51/1082163751.db2.gz ABNFBOGEILVOAF-NTMALXAHSA-N 0 0 303.402 3.444 20 10 DGCDRN CCOC(=O)[C@H]1CCCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140465365 1082273831 /nfs/dbraw/zinc/27/38/31/1082273831.db2.gz KNVUMJGBNLVGKK-ZDUSSCGKSA-N 0 0 311.809 3.211 20 10 DGCDRN CCCOc1ccc(C)c(NCC(=O)c2ccc(O)c(O)c2)c1 ZINC001170321199 1082344822 /nfs/dbraw/zinc/34/48/22/1082344822.db2.gz WUGIXRJCVUVCMR-UHFFFAOYSA-N 0 0 315.369 3.490 20 10 DGCDRN CCn1ccc2cc(NCC(=O)c3ccc(O)c(O)c3)ccc21 ZINC001170320466 1082345099 /nfs/dbraw/zinc/34/50/99/1082345099.db2.gz BRHLBNCKIFCNHF-UHFFFAOYSA-N 0 0 310.353 3.367 20 10 DGCDRN CN1C(=O)/C(=C\c2sccc2Br)SC1=S ZINC000588467652 1082399078 /nfs/dbraw/zinc/39/90/78/1082399078.db2.gz KJBCHEIDBNAZRZ-QPJJXVBHSA-N 0 0 320.258 3.342 20 10 DGCDRN CC[C@H]1Cc2ccccc2CN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588479719 1082428401 /nfs/dbraw/zinc/42/84/01/1082428401.db2.gz AAIGUJGACKAVFZ-PXAMLJHWSA-N 0 0 323.392 3.475 20 10 DGCDRN CC(C)(C)NS(=O)(=O)c1ccc(Nc2ccc(N)cc2)cc1 ZINC001203205062 1082534274 /nfs/dbraw/zinc/53/42/74/1082534274.db2.gz NVCJXEWKUZXUQH-UHFFFAOYSA-N 0 0 319.430 3.089 20 10 DGCDRN Cn1c(=O)cc(-c2cnc(Br)s2)c2ccccc21 ZINC001244908075 1083104144 /nfs/dbraw/zinc/10/41/44/1083104144.db2.gz YVQZALQDTBXGHN-UHFFFAOYSA-N 0 0 321.199 3.425 20 10 DGCDRN CCC1(CC)C[C@H]1C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001181882270 1083556991 /nfs/dbraw/zinc/55/69/91/1083556991.db2.gz HBEDVBMBDOKBDZ-AWEZNQCLSA-N 0 0 303.402 3.199 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCOC(C)(C)C1 ZINC001182025809 1083607746 /nfs/dbraw/zinc/60/77/46/1083607746.db2.gz PSVCVOZZNMMXMN-MRXNPFEDSA-N 0 0 318.461 3.306 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222345585 1083630445 /nfs/dbraw/zinc/63/04/45/1083630445.db2.gz LUGFXHVSUORIEK-OAHLLOKOSA-N 0 0 315.244 3.417 20 10 DGCDRN O=C(CCc1ccc(O)c(O)c1)Nc1csc2cnccc12 ZINC001182153834 1083634184 /nfs/dbraw/zinc/63/41/84/1083634184.db2.gz MDIFWFOZVQZCCT-UHFFFAOYSA-N 0 0 314.366 3.279 20 10 DGCDRN COc1cccc(NCc2ccc(Br)cc2O)n1 ZINC001182833720 1083816697 /nfs/dbraw/zinc/81/66/97/1083816697.db2.gz DOQROTZGGFZCLN-UHFFFAOYSA-N 0 0 309.163 3.170 20 10 DGCDRN C[C@@]1(C[NH2+]Cc2cc(F)c(F)cc2[O-])OCCc2ccccc21 ZINC001183519886 1083957718 /nfs/dbraw/zinc/95/77/18/1083957718.db2.gz GZLCZLPUUDDPSW-SFHVURJKSA-N 0 0 319.351 3.248 20 10 DGCDRN Cc1cc(C)c(CNC(=O)C2CC3(C2)CC(F)(F)C3)c(O)c1 ZINC001184205207 1084124109 /nfs/dbraw/zinc/12/41/09/1084124109.db2.gz UWYLLXFOUZDVQT-UHFFFAOYSA-N 0 0 309.356 3.451 20 10 DGCDRN CC[C@@H](C)C(=O)C(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001184323419 1084158418 /nfs/dbraw/zinc/15/84/18/1084158418.db2.gz AQWGZBAILDTCAY-QGHHPUGFSA-N 0 0 317.429 3.364 20 10 DGCDRN CC[C@@H](Nc1ccccc1)C(=O)NCc1c(O)cccc1F ZINC001184348701 1084165984 /nfs/dbraw/zinc/16/59/84/1084165984.db2.gz RCPZAKVKJZWOKG-OAHLLOKOSA-N 0 0 302.349 3.038 20 10 DGCDRN C[C@@H]1CCC[C@H](C(=O)N2CCCc3cc(O)c(O)cc3C2)C1 ZINC001184508763 1084205690 /nfs/dbraw/zinc/20/56/90/1084205690.db2.gz QYRQICBYZNCXNO-OCCSQVGLSA-N 0 0 303.402 3.199 20 10 DGCDRN COC(=O)c1cnc(S[C@@H]2CCCc3cccnc32)s1 ZINC001307348122 1084233341 /nfs/dbraw/zinc/23/33/41/1084233341.db2.gz HEVDBPSTUCPVHL-SNVBAGLBSA-N 0 0 306.412 3.494 20 10 DGCDRN CCc1cc(NCc2ccc(N(C)C)c(F)c2)nc(CC)n1 ZINC001185089406 1084335762 /nfs/dbraw/zinc/33/57/62/1084335762.db2.gz WTVHFLISNJQLFD-UHFFFAOYSA-N 0 0 302.397 3.419 20 10 DGCDRN Cc1c(F)cccc1S(=O)(=O)Nc1cccc(N(C)C)c1 ZINC001185836750 1084536142 /nfs/dbraw/zinc/53/61/42/1084536142.db2.gz WJAZXJOGXXIJGF-UHFFFAOYSA-N 0 0 308.378 3.001 20 10 DGCDRN CCCOc1cccc(F)c1N(CCO)c1ccc(N)cc1 ZINC001211787832 1084748810 /nfs/dbraw/zinc/74/88/10/1084748810.db2.gz KKULJFLQEDHCTF-UHFFFAOYSA-N 0 0 304.365 3.327 20 10 DGCDRN CCOCc1ccc(C(=O)NCc2c(C)cc(C)cc2O)cc1 ZINC001187110847 1084752061 /nfs/dbraw/zinc/75/20/61/1084752061.db2.gz CBIADDOAPCGHHE-UHFFFAOYSA-N 0 0 313.397 3.476 20 10 DGCDRN CN(C)c1ccc(CN(C)Cc2cnc(C(F)(F)F)nc2)cc1 ZINC001141468564 1084878951 /nfs/dbraw/zinc/87/89/51/1084878951.db2.gz NLYLNFCKQRUCQJ-UHFFFAOYSA-N 0 0 324.350 3.193 20 10 DGCDRN Oc1cc(O)c(CCNc2ccccc2-c2cnco2)cc1O ZINC001168005774 1086150650 /nfs/dbraw/zinc/15/06/50/1086150650.db2.gz NSKGQWHMBAFYEG-UHFFFAOYSA-N 0 0 312.325 3.113 20 10 DGCDRN Oc1cc(O)c(CCNc2cc(F)cc3[nH]ccc32)cc1O ZINC001168005933 1086154195 /nfs/dbraw/zinc/15/41/95/1086154195.db2.gz PJWZLDGSQNAZBF-UHFFFAOYSA-N 0 0 302.305 3.078 20 10 DGCDRN Oc1cc(O)c(CCNc2ccccc2-c2ncco2)cc1O ZINC001168006587 1086156902 /nfs/dbraw/zinc/15/69/02/1086156902.db2.gz ZFMNIOCYFVSCMP-UHFFFAOYSA-N 0 0 312.325 3.113 20 10 DGCDRN Cc1ncccc1/C=C\C(=O)N1CCN(C)c2ccc(F)cc21 ZINC001126643000 1086992978 /nfs/dbraw/zinc/99/29/78/1086992978.db2.gz ODTOOYXAKUKNGL-YVMONPNESA-N 0 0 311.360 3.025 20 10 DGCDRN COc1cccc2c1CN(Cc1cc(F)c(F)cc1O)CC2 ZINC001142508817 1087274705 /nfs/dbraw/zinc/27/47/05/1087274705.db2.gz MNUSZJIHVGNKNE-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH+]1CCC2(CC(F)(F)CO2)CC1 ZINC001142508959 1087274940 /nfs/dbraw/zinc/27/49/40/1087274940.db2.gz QVWQDSNSYLNZQC-UHFFFAOYSA-N 0 0 319.298 3.061 20 10 DGCDRN CCOCCC(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001142518833 1087276206 /nfs/dbraw/zinc/27/62/06/1087276206.db2.gz JANNNJZALFMVBU-XJLOQFNLSA-N 0 0 313.361 3.032 20 10 DGCDRN COc1ncc(/C=C/C(=O)N(CC2CC2)c2ccc(C)cc2)cn1 ZINC001625992216 1087276218 /nfs/dbraw/zinc/27/62/18/1087276218.db2.gz VUOSNNVUIVCSNN-JXMROGBWSA-N 0 0 323.396 3.250 20 10 DGCDRN CCOCCC(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001142527706 1087277922 /nfs/dbraw/zinc/27/79/22/1087277922.db2.gz MXSPPHLFFYRPDO-QGZVFWFLSA-N 0 0 305.418 3.175 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001142527540 1087278054 /nfs/dbraw/zinc/27/80/54/1087278054.db2.gz YJXAFMUEPNRGGX-UHFFFAOYSA-N 0 0 321.323 3.030 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1cc2c(cccc2C2CC2)[nH]1 ZINC001142533227 1087278582 /nfs/dbraw/zinc/27/85/82/1087278582.db2.gz HRHLGVSLCNECNJ-UHFFFAOYSA-N 0 0 322.364 3.387 20 10 DGCDRN CC1(C)OCCC12CC[NH+](Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142530326 1087278931 /nfs/dbraw/zinc/27/89/31/1087278931.db2.gz DHISGGGWPVZJTQ-UHFFFAOYSA-N 0 0 311.372 3.452 20 10 DGCDRN C/C(=C\C(=O)N1C[C@H](C)Sc2ccccc21)c1cnccn1 ZINC001126993799 1087435230 /nfs/dbraw/zinc/43/52/30/1087435230.db2.gz ZVTFXHRDRLHERZ-SRXBQZRASA-N 0 0 311.410 3.407 20 10 DGCDRN COc1cc(O)c(CN2CC[C@@](C)(F)[C@@H](F)C2)cc1Cl ZINC001232267105 1087588629 /nfs/dbraw/zinc/58/86/29/1087588629.db2.gz WJGINZJBLOHJAD-UONOGXRCSA-N 0 0 305.752 3.326 20 10 DGCDRN C[C@@H](NC(=O)c1cnn(C)c1-c1ccccc1)c1ccccc1O ZINC001151886185 1087810446 /nfs/dbraw/zinc/81/04/46/1087810446.db2.gz YRXNYIUQUWGCHD-CYBMUJFWSA-N 0 0 321.380 3.284 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCCCc2ccsc2)c1 ZINC001122366758 1087925466 /nfs/dbraw/zinc/92/54/66/1087925466.db2.gz WDWBBSYTWAIKPW-UHFFFAOYSA-N 0 0 304.415 3.194 20 10 DGCDRN Cc1cccc(CC(=O)N2Cc3cccc(O)c3C2)c1Cl ZINC001152574055 1088006513 /nfs/dbraw/zinc/00/65/13/1088006513.db2.gz QVQVNHXWSFBPSW-UHFFFAOYSA-N 0 0 301.773 3.439 20 10 DGCDRN O=C(/C=C/SCc1ccco1)N1Cc2cccc(O)c2C1 ZINC001152574050 1088006757 /nfs/dbraw/zinc/00/67/57/1088006757.db2.gz QPWQMRDBJCWFBT-SOFGYWHQSA-N 0 0 301.367 3.275 20 10 DGCDRN Oc1ccc(CNc2ncc3ccc(Cl)cc3n2)cc1O ZINC001158995259 1088123590 /nfs/dbraw/zinc/12/35/90/1088123590.db2.gz ARQGQBIHVQRBEZ-UHFFFAOYSA-N 0 0 301.733 3.307 20 10 DGCDRN Oc1ccc(CNc2nnc(Cl)c3ccc(F)cc32)cc1O ZINC001159003897 1088132319 /nfs/dbraw/zinc/13/23/19/1088132319.db2.gz BDJJAYDWZWOPMX-UHFFFAOYSA-N 0 0 319.723 3.446 20 10 DGCDRN CSc1ccc2ncnc(NCc3ccc(O)c(O)c3)c2c1 ZINC001159005758 1088135909 /nfs/dbraw/zinc/13/59/09/1088135909.db2.gz PQIVJKPWJSXROT-UHFFFAOYSA-N 0 0 313.382 3.375 20 10 DGCDRN Cc1ccc(C(=O)NCc2cccc(Cl)c2O)cc1[N+](=O)[O-] ZINC001159033165 1088152673 /nfs/dbraw/zinc/15/26/73/1088152673.db2.gz CMQWCJZGVGCXBZ-UHFFFAOYSA-N 0 0 320.732 3.192 20 10 DGCDRN Cc1cccnc1/C=C\C(=O)NCc1cccc(Cl)c1O ZINC001159041312 1088156071 /nfs/dbraw/zinc/15/60/71/1088156071.db2.gz HSNUUCBPMARBFF-FPLPWBNLSA-N 0 0 302.761 3.079 20 10 DGCDRN O=C(CNc1ncc(Cl)cc1Cl)c1ccc(O)c(O)c1 ZINC001159273153 1088266139 /nfs/dbraw/zinc/26/61/39/1088266139.db2.gz SVKRUFPEHIJETC-UHFFFAOYSA-N 0 0 313.140 3.094 20 10 DGCDRN O=C(CNc1cc2ccc(F)cc2cn1)c1ccc(O)c(O)c1 ZINC001159280351 1088267252 /nfs/dbraw/zinc/26/72/52/1088267252.db2.gz MHQHEVONSZYHOE-UHFFFAOYSA-N 0 0 312.300 3.080 20 10 DGCDRN CCc1ccc2occ(C(=O)NCc3cccc(O)c3O)c2c1 ZINC001153798661 1088363102 /nfs/dbraw/zinc/36/31/02/1088363102.db2.gz VAJOESBKTPLFGU-UHFFFAOYSA-N 0 0 311.337 3.336 20 10 DGCDRN CC(C)n1nc(C(=O)NCc2ccccc2O)c2ccccc21 ZINC001153925816 1088409018 /nfs/dbraw/zinc/40/90/18/1088409018.db2.gz RSQMFVWGUWNDAE-UHFFFAOYSA-N 0 0 309.369 3.253 20 10 DGCDRN Cc1nc2nc(NCc3cc4ccccc4cc3O)ncc2[nH]1 ZINC001160207281 1088696908 /nfs/dbraw/zinc/69/69/08/1088696908.db2.gz WAEIRXYGAUQPGQ-UHFFFAOYSA-N 0 0 305.341 3.084 20 10 DGCDRN Nc1cc([N+](=O)[O-])cnc1NCc1cc2ccccc2cc1O ZINC001160206626 1088697703 /nfs/dbraw/zinc/69/77/03/1088697703.db2.gz NNSHULKLCQRPLA-UHFFFAOYSA-N 0 0 310.313 3.043 20 10 DGCDRN Oc1cc2ccccc2cc1CNc1ncnc2cccnc21 ZINC001160207686 1088697872 /nfs/dbraw/zinc/69/78/72/1088697872.db2.gz WESKCIWQTMRVFT-UHFFFAOYSA-N 0 0 302.337 3.496 20 10 DGCDRN Oc1c(CNc2ncncc2F)cc(Cl)c2cccnc12 ZINC001168525342 1088780136 /nfs/dbraw/zinc/78/01/36/1088780136.db2.gz BCSPZHMYRBXRMO-UHFFFAOYSA-N 0 0 304.712 3.135 20 10 DGCDRN CCN(Cc1ccccc1O)C(F)(F)c1nccnc1Cl ZINC001154888708 1088811767 /nfs/dbraw/zinc/81/17/67/1088811767.db2.gz ITOKPTQTHAWYRE-UHFFFAOYSA-N 0 0 313.735 3.407 20 10 DGCDRN CCN(Cc1ccccc1O)c1nc2ccccc2nc1OC ZINC001154889713 1088813908 /nfs/dbraw/zinc/81/39/08/1088813908.db2.gz FSWZVSKUVIHRSH-UHFFFAOYSA-N 0 0 309.369 3.371 20 10 DGCDRN CCN(Cc1ccccc1O)c1ccc(-c2ccccn2)nn1 ZINC001154890637 1088814818 /nfs/dbraw/zinc/81/48/18/1088814818.db2.gz HDWYPSNAZAXNAM-UHFFFAOYSA-N 0 0 306.369 3.271 20 10 DGCDRN COC(=O)c1ccc(Cl)c(NCc2cccc(C)c2O)n1 ZINC001160770378 1088950903 /nfs/dbraw/zinc/95/09/03/1088950903.db2.gz ZAAGDXBXNROISC-UHFFFAOYSA-N 0 0 306.749 3.148 20 10 DGCDRN Cc1cccc(CNc2ncnc3cccc([N+](=O)[O-])c32)c1O ZINC001160771221 1088951161 /nfs/dbraw/zinc/95/11/61/1088951161.db2.gz ONCVLXUCOKOSLX-UHFFFAOYSA-N 0 0 310.313 3.164 20 10 DGCDRN Cc1cccc(CNc2cc(N3CCC[C@@H](C)C3)ncn2)c1O ZINC001160771432 1088951615 /nfs/dbraw/zinc/95/16/15/1088951615.db2.gz VDXZRYMRHYAZNU-CYBMUJFWSA-N 0 0 312.417 3.339 20 10 DGCDRN COC(=O)/C=C/c1cc(C)cnc1NCc1cccc(C)c1O ZINC001160769643 1088951722 /nfs/dbraw/zinc/95/17/22/1088951722.db2.gz KCPLKPMRMJOWGL-BQYQJAHWSA-N 0 0 312.369 3.202 20 10 DGCDRN Cc1cc(C)c(CNc2nc(Cl)cc(N(C)C)n2)c(O)c1 ZINC001160810013 1088973413 /nfs/dbraw/zinc/97/34/13/1088973413.db2.gz HQTBRSQKICUYFZ-UHFFFAOYSA-N 0 0 306.797 3.131 20 10 DGCDRN Cc1cc(C)c(CN[C@H](F)Oc2ccc(Cl)nc2)c(O)c1 ZINC001160810987 1088974142 /nfs/dbraw/zinc/97/41/42/1088974142.db2.gz YQUOOSCOFALBRL-HNNXBMFYSA-N 0 0 310.756 3.479 20 10 DGCDRN Cc1cc(C)c(CNc2ccnc(-c3cccnc3)n2)c(O)c1 ZINC001160810925 1088974309 /nfs/dbraw/zinc/97/43/09/1088974309.db2.gz WNSUYCKUSIPVJD-UHFFFAOYSA-N 0 0 306.369 3.473 20 10 DGCDRN COC(=O)c1ccc(NCc2c(C)cc(C)cc2O)nc1C ZINC001160810209 1088974683 /nfs/dbraw/zinc/97/46/83/1088974683.db2.gz NDLSOKDEMPJZLK-UHFFFAOYSA-N 0 0 300.358 3.111 20 10 DGCDRN COc1cc(NCc2c(C)cc(C)cc2O)nc(SC)n1 ZINC001160810464 1088974836 /nfs/dbraw/zinc/97/48/36/1088974836.db2.gz QUSJUSGAPMDDQD-UHFFFAOYSA-N 0 0 305.403 3.142 20 10 DGCDRN Cc1cc(C)c(CNC(F)(F)c2nccnc2Cl)c(O)c1 ZINC001160811849 1088977781 /nfs/dbraw/zinc/97/77/81/1088977781.db2.gz ZLDWICJVKDGWDE-UHFFFAOYSA-N 0 0 313.735 3.292 20 10 DGCDRN Cc1ccccc1C1=CCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC001161056122 1089093753 /nfs/dbraw/zinc/09/37/53/1089093753.db2.gz HMAFYRRFMMQFJA-UHFFFAOYSA-N 0 0 313.328 3.085 20 10 DGCDRN O=C(c1c(F)ccc(O)c1O)N1CCc2cccc(Cl)c2C1 ZINC001161449491 1089250697 /nfs/dbraw/zinc/25/06/97/1089250697.db2.gz XZJABCNIVOYVQH-UHFFFAOYSA-N 0 0 321.735 3.089 20 10 DGCDRN Cc1nc(N2CCCc3cc(O)c(O)cc3C2)ccc1Cl ZINC001155940982 1089305898 /nfs/dbraw/zinc/30/58/98/1089305898.db2.gz DZACWBSPMDAJAR-UHFFFAOYSA-N 0 0 304.777 3.407 20 10 DGCDRN CC(C)COc1ccc(N(CCO)c2ccc(N)cc2)cc1 ZINC001212285878 1089337423 /nfs/dbraw/zinc/33/74/23/1089337423.db2.gz SYTJYZSIWJXJPA-UHFFFAOYSA-N 0 0 300.402 3.434 20 10 DGCDRN CC[C@@H](Cc1ccccc1)C(=O)NCc1c(O)cccc1F ZINC001156170473 1089416897 /nfs/dbraw/zinc/41/68/97/1089416897.db2.gz NUTZXQVIZIIMEC-AWEZNQCLSA-N 0 0 301.361 3.416 20 10 DGCDRN CC1(C)COc2ccc(C(=O)NCc3c(O)cccc3F)cc21 ZINC001156170281 1089417206 /nfs/dbraw/zinc/41/72/06/1089417206.db2.gz JTFYYMRMEDSSCI-UHFFFAOYSA-N 0 0 315.344 3.131 20 10 DGCDRN CCCCCC(=O)NCCC1=CCN(c2cccc(F)n2)CC1 ZINC001089803703 1089522872 /nfs/dbraw/zinc/52/28/72/1089522872.db2.gz QYZWNLNPPIHTNR-UHFFFAOYSA-N 0 0 319.424 3.444 20 10 DGCDRN CCC[C@H](C)C(=O)NCCC1=CCN(c2cccc(F)n2)CC1 ZINC001089817076 1089706048 /nfs/dbraw/zinc/70/60/48/1089706048.db2.gz HUHFXLGVYBAEPQ-AWEZNQCLSA-N 0 0 319.424 3.300 20 10 DGCDRN CN(C)c1ccc(CN(C)c2cnc3ccc(F)cc3n2)cc1 ZINC001156923475 1089745150 /nfs/dbraw/zinc/74/51/50/1089745150.db2.gz DYEPNGQPMZPOAJ-UHFFFAOYSA-N 0 0 310.376 3.471 20 10 DGCDRN CCc1ncnc(Cl)c1N(C)Cc1ccc(N(C)C)cc1 ZINC001156923409 1089746371 /nfs/dbraw/zinc/74/63/71/1089746371.db2.gz BDELKEAUODFXLQ-UHFFFAOYSA-N 0 0 304.825 3.395 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1ccnc(C2CC2)n1 ZINC001157041330 1089797952 /nfs/dbraw/zinc/79/79/52/1089797952.db2.gz DNCXNAVFIOFSEZ-UHFFFAOYSA-N 0 0 319.364 3.143 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2CC[C@@H]2C)c1 ZINC001157137999 1089837003 /nfs/dbraw/zinc/83/70/03/1089837003.db2.gz VSVQOOXXTRQMOA-SGTLLEGYSA-N 0 0 310.397 3.435 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])CC[C@@]1(C)O ZINC001236792627 1089866377 /nfs/dbraw/zinc/86/63/77/1089866377.db2.gz GEJONENKFSAQHU-YMTOWFKASA-N 0 0 304.217 3.292 20 10 DGCDRN Oc1cc(O)c(CCNc2nc(Cl)ccc2Cl)cc1O ZINC001157240342 1089891910 /nfs/dbraw/zinc/89/19/10/1089891910.db2.gz WIOBQBOTGZJGPI-UHFFFAOYSA-N 0 0 315.156 3.160 20 10 DGCDRN COc1ccc(-c2ccc(NCc3ccc(N)cc3)nn2)cc1 ZINC001162787854 1089957752 /nfs/dbraw/zinc/95/77/52/1089957752.db2.gz SIJYPWPNVNSYRS-UHFFFAOYSA-N 0 0 306.369 3.347 20 10 DGCDRN CSc1nc2c(c(NCc3ccc(N)cc3)n1)CCCC2 ZINC001162786521 1089957851 /nfs/dbraw/zinc/95/78/51/1089957851.db2.gz ZXJFKCKNFDSTGR-UHFFFAOYSA-N 0 0 300.431 3.272 20 10 DGCDRN CC(=O)CCCCCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001163323384 1090150066 /nfs/dbraw/zinc/15/00/66/1090150066.db2.gz LLVDGZIJEYZBQG-UHFFFAOYSA-N 0 0 318.377 3.118 20 10 DGCDRN O=C(N[C@H](Cc1ccccc1)c1ncco1)C1=CC(=O)CS1 ZINC001163390594 1090173584 /nfs/dbraw/zinc/17/35/84/1090173584.db2.gz HRDCFVVIXYVKRR-CYBMUJFWSA-N 0 0 314.366 3.156 20 10 DGCDRN CC1(C(=O)NCCC2=CCN(c3cccc(F)n3)CC2)CCC1 ZINC001089856346 1090205858 /nfs/dbraw/zinc/20/58/58/1090205858.db2.gz ZQQDQLJWJYILIS-UHFFFAOYSA-N 0 0 317.408 3.054 20 10 DGCDRN [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CCCC[C@@](O)(CF)C1 ZINC001237078370 1090283303 /nfs/dbraw/zinc/28/33/03/1090283303.db2.gz QETHAXVSCKVHDA-CQSZACIVSA-N 0 0 322.207 3.386 20 10 DGCDRN COc1ccc(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001165216524 1090481710 /nfs/dbraw/zinc/48/17/10/1090481710.db2.gz GKVLDLCRZILSBQ-UHFFFAOYSA-N 0 0 312.329 3.134 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)C1(c2ccccc2)CC1 ZINC001165498620 1090525663 /nfs/dbraw/zinc/52/56/63/1090525663.db2.gz PNQAIDHFNUMPLE-UHFFFAOYSA-N 0 0 301.773 3.394 20 10 DGCDRN Cc1cnc(Cl)cc1C(=O)NCc1cc(Cl)ccc1O ZINC001165508862 1090527670 /nfs/dbraw/zinc/52/76/70/1090527670.db2.gz XDUPRTZHIOKQKB-UHFFFAOYSA-N 0 0 311.168 3.332 20 10 DGCDRN Fc1cc(-c2noc(-c3csnn3)n2)c(F)cc1Cl ZINC001212361873 1090575091 /nfs/dbraw/zinc/57/50/91/1090575091.db2.gz HXJDBNNNHGZBQA-UHFFFAOYSA-N 0 0 300.677 3.187 20 10 DGCDRN CCOc1ccc(-c2noc(-c3csnn3)n2)cc1Cl ZINC001212362187 1090574916 /nfs/dbraw/zinc/57/49/16/1090574916.db2.gz PXNOLYIBAGLEHE-UHFFFAOYSA-N 0 0 308.750 3.307 20 10 DGCDRN Cc1snnc1-c1nc(-c2ccc3c(c2)CCCC3=O)no1 ZINC001212405247 1090626312 /nfs/dbraw/zinc/62/63/12/1090626312.db2.gz JXILSGXMTRJOPS-UHFFFAOYSA-N 0 0 312.354 3.083 20 10 DGCDRN CCN(CC)c1ccc(-c2noc(-c3nnsc3C)n2)cc1 ZINC001212405090 1090626645 /nfs/dbraw/zinc/62/66/45/1090626645.db2.gz GZSKMXGDQURKER-UHFFFAOYSA-N 0 0 315.402 3.410 20 10 DGCDRN C[C@@H](NC(=O)c1nccc2cccnc21)c1ccc(N(C)C)cc1 ZINC001128136183 1090679426 /nfs/dbraw/zinc/67/94/26/1090679426.db2.gz NFJHTJNYIUBPCY-CYBMUJFWSA-N 0 0 320.396 3.187 20 10 DGCDRN O=C1Nc2ccccc2C2(CC[NH+](Cc3ccccc3O)CC2)N1 ZINC001203555993 1090754304 /nfs/dbraw/zinc/75/43/04/1090754304.db2.gz IGOPOGLJNQCBQW-UHFFFAOYSA-N 0 0 323.396 3.019 20 10 DGCDRN COc1ccc(CN2CCc3ccc(C(C)=O)cc3C2)c(O)c1 ZINC001203629369 1090768808 /nfs/dbraw/zinc/76/88/08/1090768808.db2.gz YLFYMIDUEFKAOM-UHFFFAOYSA-N 0 0 311.381 3.162 20 10 DGCDRN Oc1ccc(Cl)cc1CN1CCO[C@H](c2ccncc2)C1 ZINC001203664504 1090776332 /nfs/dbraw/zinc/77/63/32/1090776332.db2.gz HYEAQLFYHIZRKK-INIZCTEOSA-N 0 0 304.777 3.014 20 10 DGCDRN COc1ccc(O)c(CN2CCc3ccc(C(C)=O)cc3C2)c1 ZINC001203680170 1090778920 /nfs/dbraw/zinc/77/89/20/1090778920.db2.gz HWBSOLXFFBATHH-UHFFFAOYSA-N 0 0 311.381 3.162 20 10 DGCDRN Oc1ccc(CN2CCc3ncc(C(F)(F)F)cc3C2)cc1O ZINC001203882915 1090825906 /nfs/dbraw/zinc/82/59/06/1090825906.db2.gz XBPDRUGBULJRHX-UHFFFAOYSA-N 0 0 324.302 3.070 20 10 DGCDRN Oc1ccc(CN2CCOC[C@@H]2c2ccc(Cl)cc2)cc1O ZINC001203881935 1090826569 /nfs/dbraw/zinc/82/65/69/1090826569.db2.gz YMUYHUKDGYCCAR-OAHLLOKOSA-N 0 0 319.788 3.325 20 10 DGCDRN CN(C)c1ccc(CN2CCCC[C@@H]2C(=O)OC(C)(C)C)cc1 ZINC001203933586 1090842490 /nfs/dbraw/zinc/84/24/90/1090842490.db2.gz APXLJBJIUFIRFD-QGZVFWFLSA-N 0 0 318.461 3.449 20 10 DGCDRN Cc1nc(CN(C)Cc2ccc(N(C)C)c3ccccc23)no1 ZINC001204236935 1090931125 /nfs/dbraw/zinc/93/11/25/1090931125.db2.gz YFKMEHGPXXMMDU-UHFFFAOYSA-N 0 0 310.401 3.229 20 10 DGCDRN Oc1ccc(CN(Cc2cccnc2)Cc2cccnc2)c(O)c1 ZINC001204274713 1090937960 /nfs/dbraw/zinc/93/79/60/1090937960.db2.gz HGFHHWLLNBNNRJ-UHFFFAOYSA-N 0 0 321.380 3.090 20 10 DGCDRN COc1cc(CN2CCSc3ccccc3C2)cc(O)c1O ZINC001204348682 1090953249 /nfs/dbraw/zinc/95/32/49/1090953249.db2.gz IDFBAXXSWIFNSD-UHFFFAOYSA-N 0 0 317.410 3.214 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@H+](CCCO)Cc1ccccc1 ZINC001204749935 1091030065 /nfs/dbraw/zinc/03/00/65/1091030065.db2.gz OUCMOCQJZYTVNZ-UHFFFAOYSA-N 0 0 307.340 3.055 20 10 DGCDRN COC(=O)[C@H](C(C)C)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC001138220626 1091120427 /nfs/dbraw/zinc/12/04/27/1091120427.db2.gz JFNUUXTUWYPKCD-SFHVURJKSA-N 0 0 318.461 3.306 20 10 DGCDRN COc1ccc(C(N)=O)cc1-c1ccc(-n2c(C)ccc2C)nc1 ZINC001205213742 1091133923 /nfs/dbraw/zinc/13/39/23/1091133923.db2.gz FQCKJUOOYCOXHI-UHFFFAOYSA-N 0 0 321.380 3.264 20 10 DGCDRN CCn1nccc1-n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001205275036 1091160179 /nfs/dbraw/zinc/16/01/79/1091160179.db2.gz YUIOVXHTNKREJV-ZDHCPWPQSA-N 0 0 307.361 3.171 20 10 DGCDRN CCN(CC)c1ccc(CN(C)Cc2ccon2)c(OC)c1 ZINC001138390399 1091164914 /nfs/dbraw/zinc/16/49/14/1091164914.db2.gz VNAWDJCIJHZPPT-UHFFFAOYSA-N 0 0 303.406 3.161 20 10 DGCDRN CCN(CC)c1ccc(CN(C)Cc2ccno2)c(OC)c1 ZINC001138391075 1091166120 /nfs/dbraw/zinc/16/61/20/1091166120.db2.gz BPJPXGNWZFBNQU-UHFFFAOYSA-N 0 0 303.406 3.161 20 10 DGCDRN CCn1nccc1Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001205295686 1091169097 /nfs/dbraw/zinc/16/90/97/1091169097.db2.gz XOFLPFMFNUORFX-UHFFFAOYSA-N 0 0 317.348 3.422 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1c(Cl)c(C)nn1C ZINC001205327485 1091187203 /nfs/dbraw/zinc/18/72/03/1091187203.db2.gz MALYLMJJDRCSAD-UHFFFAOYSA-N 0 0 305.809 3.343 20 10 DGCDRN COc1cc2c(cc1OC)CN(Cc1c(O)cccc1F)C2 ZINC001137841662 1091225955 /nfs/dbraw/zinc/22/59/55/1091225955.db2.gz ORNYBVZNMWVWLG-UHFFFAOYSA-N 0 0 303.333 3.064 20 10 DGCDRN CCc1ccc([C@H](O)C[NH2+]Cc2cc(F)c(F)cc2[O-])cc1 ZINC001205747485 1091331075 /nfs/dbraw/zinc/33/10/75/1091331075.db2.gz KIADVVWBLRCXPV-QGZVFWFLSA-N 0 0 307.340 3.056 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cc(F)cc(Cl)c1N ZINC001294678727 1091428591 /nfs/dbraw/zinc/42/85/91/1091428591.db2.gz NFHQUORCFVSTNA-UHFFFAOYSA-N 0 0 308.740 3.039 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCCC[C@H](C)C1 ZINC001139126243 1091456441 /nfs/dbraw/zinc/45/64/41/1091456441.db2.gz CKDPCBOKYUEXDU-LBPRGKRZSA-N 0 0 301.386 3.429 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CCC(F)(F)CC1 ZINC001139126581 1091457100 /nfs/dbraw/zinc/45/71/00/1091457100.db2.gz LIAZRUGLXITHNF-UHFFFAOYSA-N 0 0 309.312 3.038 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CC[C@@](C)(F)[C@@H](F)C1 ZINC001139126577 1091457712 /nfs/dbraw/zinc/45/77/12/1091457712.db2.gz LGUQNNQHFJTSOQ-WMLDXEAASA-N 0 0 323.339 3.079 20 10 DGCDRN O=C(NCc1ccccc1O)C1(c2ccncc2)CC2(CCC2)C1 ZINC001294924699 1091472103 /nfs/dbraw/zinc/47/21/03/1091472103.db2.gz HJVPFEHQMLLTBF-UHFFFAOYSA-N 0 0 322.408 3.306 20 10 DGCDRN Cc1cc(CN2CC(Oc3ccc(F)cc3)C2)ccc1N(C)C ZINC001139673031 1091639188 /nfs/dbraw/zinc/63/91/88/1091639188.db2.gz PCAAUOUZPOSRAX-UHFFFAOYSA-N 0 0 314.404 3.463 20 10 DGCDRN COc1cc(C)cc(CNc2ccc3c(c2)COC(=O)N3)c1O ZINC001206672021 1091698766 /nfs/dbraw/zinc/69/87/66/1091698766.db2.gz IEUTZMZILBXJRR-UHFFFAOYSA-N 0 0 314.341 3.383 20 10 DGCDRN C[C@@]1(F)CCN(Cc2c(O)cccc2Br)C[C@H]1F ZINC001140098604 1091767344 /nfs/dbraw/zinc/76/73/44/1091767344.db2.gz HNOQUSOEDFXYBZ-CHWSQXEVSA-N 0 0 320.177 3.427 20 10 DGCDRN COc1ccc(CC[N@H+](C)Cc2cc(F)ccc2O)cc1OC ZINC001140057863 1091751012 /nfs/dbraw/zinc/75/10/12/1091751012.db2.gz QMAIHOVNKCVJSB-UHFFFAOYSA-N 0 0 319.376 3.223 20 10 DGCDRN COc1cc2c(cc1OC)CN(Cc1cc(F)ccc1O)C2 ZINC001140056123 1091752731 /nfs/dbraw/zinc/75/27/31/1091752731.db2.gz ITXPMJLVPWOYDA-UHFFFAOYSA-N 0 0 303.333 3.064 20 10 DGCDRN CN(Cc1ccncc1)Cc1c(O)cccc1Br ZINC001140098975 1091767122 /nfs/dbraw/zinc/76/71/22/1091767122.db2.gz VPVKSPFNKUGGRU-UHFFFAOYSA-N 0 0 307.191 3.182 20 10 DGCDRN Oc1cccc(Br)c1CN1Cc2ncsc2C1 ZINC001140103644 1091769620 /nfs/dbraw/zinc/76/96/20/1091769620.db2.gz RMDUZWTWMXHJSR-UHFFFAOYSA-N 0 0 311.204 3.127 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000827720951 1091777931 /nfs/dbraw/zinc/77/79/31/1091777931.db2.gz XOQCWTJYFRHRCI-SJORKVTESA-N 0 0 311.381 3.298 20 10 DGCDRN Cc1cc(N(CCO)c2ccc(N)cc2)cnc1OCC(C)C ZINC001203010751 1091794528 /nfs/dbraw/zinc/79/45/28/1091794528.db2.gz RLEFJWSGNGQFHP-UHFFFAOYSA-N 0 0 315.417 3.137 20 10 DGCDRN Cc1ccc(C)c(CN2CC[C@H](N3CCCC3)C(F)(F)C2)c1O ZINC001140184769 1091794728 /nfs/dbraw/zinc/79/47/28/1091794728.db2.gz HKEDRMOUDHDGCL-INIZCTEOSA-N 0 0 324.415 3.314 20 10 DGCDRN Cc1ccc(C)c(CN2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC001140184993 1091795523 /nfs/dbraw/zinc/79/55/23/1091795523.db2.gz NNRYEVSEIBTESA-UHFFFAOYSA-N 0 0 306.406 3.019 20 10 DGCDRN COc1cccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1F ZINC001296798070 1091795975 /nfs/dbraw/zinc/79/59/75/1091795975.db2.gz URYYVEVFTUUKTP-UHFFFAOYSA-N 0 0 316.292 3.249 20 10 DGCDRN OC[C@H]1CCC[C@@H](C(F)(F)F)N1Cc1c(O)cccc1Cl ZINC001140337786 1091832478 /nfs/dbraw/zinc/83/24/78/1091832478.db2.gz DYUYTJRSIDYQQW-RNCFNFMXSA-N 0 0 323.742 3.323 20 10 DGCDRN OC[C@@H]1CCC[C@H](C(F)(F)F)N1Cc1c(O)cccc1Cl ZINC001140337787 1091833206 /nfs/dbraw/zinc/83/32/06/1091833206.db2.gz DYUYTJRSIDYQQW-TVQRCGJNSA-N 0 0 323.742 3.323 20 10 DGCDRN Oc1cccc(Cl)c1C[N@@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001140341903 1091835537 /nfs/dbraw/zinc/83/55/37/1091835537.db2.gz JWVFRMKFEIBUOR-CYBMUJFWSA-N 0 0 303.736 3.046 20 10 DGCDRN CN(Cc1cccc2c1OCO2)Cc1c(O)cccc1Cl ZINC001140342714 1091836050 /nfs/dbraw/zinc/83/60/50/1091836050.db2.gz VNPPBSIVAAQBFJ-UHFFFAOYSA-N 0 0 305.761 3.406 20 10 DGCDRN Oc1cccc(Cl)c1CN1CCc2nc(Cl)ncc2C1 ZINC001140341330 1091836211 /nfs/dbraw/zinc/83/62/11/1091836211.db2.gz HREDHUCLLMFMLR-UHFFFAOYSA-N 0 0 310.184 3.047 20 10 DGCDRN COc1ccc2cc(NC(=O)Cc3ccc(O)c(O)c3)ccc2c1 ZINC001140350553 1091836579 /nfs/dbraw/zinc/83/65/79/1091836579.db2.gz MIIJHEDQWMBZRY-UHFFFAOYSA-N 0 0 323.348 3.441 20 10 DGCDRN COCCOCc1ccc(NCc2cc(F)c(F)cc2O)cc1 ZINC001207083875 1091841346 /nfs/dbraw/zinc/84/13/46/1091841346.db2.gz UAUQCNLKEXPMSY-UHFFFAOYSA-N 0 0 323.339 3.446 20 10 DGCDRN CCOc1ccc(N2CCN(Cc3cncc(C)c3)CC2)cc1 ZINC001207160803 1091870247 /nfs/dbraw/zinc/87/02/47/1091870247.db2.gz DRMQRAKPHXAVSO-UHFFFAOYSA-N 0 0 311.429 3.111 20 10 DGCDRN CC(C)(C)CC(=O)N1CCN(Cc2ccc(Cl)cc2O)CC1 ZINC001140464452 1091876352 /nfs/dbraw/zinc/87/63/52/1091876352.db2.gz QMAKGZLSESIYIW-UHFFFAOYSA-N 0 0 324.852 3.126 20 10 DGCDRN Oc1cc(Cl)ccc1CN1CCO[C@@H](Cc2ccccc2)C1 ZINC001140465413 1091877110 /nfs/dbraw/zinc/87/71/10/1091877110.db2.gz MLCFUNDMQYVYTI-KRWDZBQOSA-N 0 0 317.816 3.489 20 10 DGCDRN Oc1cc(Cl)ccc1CN1CCc2cc3c(cc2C1)OCO3 ZINC001140463005 1091877344 /nfs/dbraw/zinc/87/73/44/1091877344.db2.gz RREWXYJSZZFQAK-UHFFFAOYSA-N 0 0 317.772 3.333 20 10 DGCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001140583291 1091920512 /nfs/dbraw/zinc/92/05/12/1091920512.db2.gz CVUKAFJXYRRLIX-CQSZACIVSA-N 0 0 304.340 3.273 20 10 DGCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCOC[C@H]1C1CCCCC1 ZINC001140585302 1091921209 /nfs/dbraw/zinc/92/12/09/1091921209.db2.gz DOKOTBHCRNDULM-INIZCTEOSA-N 0 0 311.372 3.452 20 10 DGCDRN CC1(C)OCCC12CC[NH+](Cc1c([O-])cc(F)cc1F)CC2 ZINC001140585534 1091921940 /nfs/dbraw/zinc/92/19/40/1091921940.db2.gz MPKWVQQEUGVQLK-UHFFFAOYSA-N 0 0 311.372 3.452 20 10 DGCDRN CC(C)c1coc(NC(=O)c2ccc(N=NC(N)=O)cc2)n1 ZINC001298162216 1092039475 /nfs/dbraw/zinc/03/94/75/1092039475.db2.gz ADDMESSARWTQAA-UHFFFAOYSA-N 0 0 301.306 3.213 20 10 DGCDRN CCOC(=O)C1CCN(Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140922681 1092064093 /nfs/dbraw/zinc/06/40/93/1092064093.db2.gz ZBEODPDMTOAOFK-UHFFFAOYSA-N 0 0 324.852 3.181 20 10 DGCDRN COC(=O)CC[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140926015 1092064604 /nfs/dbraw/zinc/06/46/04/1092064604.db2.gz XMWSNINMBQOZME-CYBMUJFWSA-N 0 0 324.852 3.181 20 10 DGCDRN CN(C)c1ccc(C[NH+]2CCC3(CCC(=O)O3)CC2)c(Cl)c1 ZINC001140924411 1092064894 /nfs/dbraw/zinc/06/48/94/1092064894.db2.gz JARDZKCMVKMHIA-UHFFFAOYSA-N 0 0 322.836 3.078 20 10 DGCDRN CC1(C)CN(C(=O)Cc2ccc(O)c(O)c2)[C@H]1c1cccs1 ZINC001298860307 1092116118 /nfs/dbraw/zinc/11/61/18/1092116118.db2.gz PZPOGIIXNNKVTQ-INIZCTEOSA-N 0 0 317.410 3.312 20 10 DGCDRN Cc1ccc2c(c1)CC[N@@H+](Cc1ccc3c(c1)OCCN3C)C2 ZINC001141146170 1092150272 /nfs/dbraw/zinc/15/02/72/1092150272.db2.gz MSVRHVNGFNCYAL-UHFFFAOYSA-N 0 0 308.425 3.382 20 10 DGCDRN Oc1ccc(O)c(CN(Cc2cccnc2)Cc2cccnc2)c1 ZINC001141158518 1092155593 /nfs/dbraw/zinc/15/55/93/1092155593.db2.gz CHHVRFSBOSVICF-UHFFFAOYSA-N 0 0 321.380 3.090 20 10 DGCDRN COc1cccc(CNC(=O)c2c(C)cccc2Cl)c1O ZINC001545682139 1092300928 /nfs/dbraw/zinc/30/09/28/1092300928.db2.gz SKUAMIRQDCAFJF-UHFFFAOYSA-N 0 0 305.761 3.293 20 10 DGCDRN COc1cccc(O)c1C(=O)Nc1cccc(N2CCCC2)c1 ZINC001141903650 1092357862 /nfs/dbraw/zinc/35/78/62/1092357862.db2.gz PBDXUJWAESJMNL-UHFFFAOYSA-N 0 0 312.369 3.253 20 10 DGCDRN Cc1cc(C)c(CNC(=O)CCC(=O)c2cccs2)c(O)c1 ZINC001142104118 1092409672 /nfs/dbraw/zinc/40/96/72/1092409672.db2.gz IHDGKYGVILWKEI-UHFFFAOYSA-N 0 0 317.410 3.350 20 10 DGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)C=Cc2c[nH]cn2)cc1 ZINC001142272462 1092454607 /nfs/dbraw/zinc/45/46/07/1092454607.db2.gz ICXXQGZGMDCFPY-DHZHZOJOSA-N 0 0 318.380 3.239 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC001142416879 1092478636 /nfs/dbraw/zinc/47/86/36/1092478636.db2.gz JCYMEWZKTRYIHO-BNEJOLLZSA-N 0 0 300.446 3.393 20 10 DGCDRN CSc1ncc(CN2CCc3cccc(O)c3C2)c(Cl)n1 ZINC001142435067 1092481075 /nfs/dbraw/zinc/48/10/75/1092481075.db2.gz DSOSDAJZLWQCBV-UHFFFAOYSA-N 0 0 321.833 3.116 20 10 DGCDRN C/C(=C\C(=O)NCc1ccc2cccnc2c1O)c1ccco1 ZINC001142731324 1092538821 /nfs/dbraw/zinc/53/88/21/1092538821.db2.gz UMWOSMBIIBKSRK-ZRDIBKRKSA-N 0 0 308.337 3.253 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)[C@H]1C[C@@H]1c1ccccc1 ZINC001142731187 1092539288 /nfs/dbraw/zinc/53/92/88/1092539288.db2.gz NSGKEJVZZWFBLK-SJORKVTESA-N 0 0 318.376 3.360 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C[N@@H+](C)Cc2cnn(C)c2)cc1 ZINC001209519004 1092805417 /nfs/dbraw/zinc/80/54/17/1092805417.db2.gz PMCJMJYAMVDEKW-UHFFFAOYSA-N 0 0 308.429 3.460 20 10 DGCDRN CC1(C)c2ccc(Nc3ccc4c(c3)OCCN4)cc2CNC1=O ZINC001209790306 1092923004 /nfs/dbraw/zinc/92/30/04/1092923004.db2.gz ZJIAETFNNIBRJQ-UHFFFAOYSA-N 0 0 323.396 3.142 20 10 DGCDRN COCCNc1cccc(F)c1Nc1ccc2c(c1)OCCN2 ZINC001209788794 1092923661 /nfs/dbraw/zinc/92/36/61/1092923661.db2.gz HPIVAYGSJVEYQT-UHFFFAOYSA-N 0 0 317.364 3.432 20 10 DGCDRN Cc1cc(C)c(N(c2ccc(N)cc2)S(C)(=O)=O)cc1C ZINC001209832893 1092940844 /nfs/dbraw/zinc/94/08/44/1092940844.db2.gz OSVGSFFRZJIIBS-UHFFFAOYSA-N 0 0 304.415 3.292 20 10 DGCDRN Nc1cccc2c1C(=O)c1cccc(Nc3nccs3)c1C2=O ZINC001210996422 1093349516 /nfs/dbraw/zinc/34/95/16/1093349516.db2.gz AHQZCOQIGWLAJM-UHFFFAOYSA-N 0 0 321.361 3.244 20 10 DGCDRN CCCOc1ccccc1N(c1ccc(N)cc1)S(C)(=O)=O ZINC001211382842 1093476396 /nfs/dbraw/zinc/47/63/96/1093476396.db2.gz HZDWQJMVUPIQSE-UHFFFAOYSA-N 0 0 320.414 3.155 20 10 DGCDRN Cc1ccc(NC(=O)N[C@@H](C)c2ccccc2O)cc1[N+](=O)[O-] ZINC001214560438 1093799155 /nfs/dbraw/zinc/79/91/55/1093799155.db2.gz QCFFQHYMFUHKII-NSHDSACASA-N 0 0 315.329 3.492 20 10 DGCDRN Cc1cc(F)c(F)c(-c2noc(-c3ccc(O)c(O)c3)n2)c1 ZINC001215304018 1093954959 /nfs/dbraw/zinc/95/49/59/1093954959.db2.gz BIHCLFYPBNFXFJ-UHFFFAOYSA-N 0 0 304.252 3.401 20 10 DGCDRN COc1c(C)cc(-c2noc(-c3ccc(O)c(O)c3)n2)cc1C ZINC001215304046 1093955227 /nfs/dbraw/zinc/95/52/27/1093955227.db2.gz BUHOJZABCFNJOE-UHFFFAOYSA-N 0 0 312.325 3.440 20 10 DGCDRN Oc1ccc(-c2nc(-c3ccc(F)cc3Cl)no2)c(O)c1O ZINC001215325147 1093960377 /nfs/dbraw/zinc/96/03/77/1093960377.db2.gz DJKIPNKPQLZBLA-UHFFFAOYSA-N 0 0 322.679 3.313 20 10 DGCDRN Oc1ccc(-c2nc(-c3cccc4cccnc43)no2)c(O)c1O ZINC001215325148 1093960421 /nfs/dbraw/zinc/96/04/21/1093960421.db2.gz DLDKLHNOSKQGAD-UHFFFAOYSA-N 0 0 321.292 3.069 20 10 DGCDRN CSc1cc(F)c(N(CCO)c2ccc(N)cc2)cc1F ZINC001215967561 1094096609 /nfs/dbraw/zinc/09/66/09/1094096609.db2.gz GVHCPXPPWYPSHG-UHFFFAOYSA-N 0 0 310.369 3.399 20 10 DGCDRN CCN(CC)c1cc(F)cc(N(CCO)c2ccc(N)cc2)c1 ZINC001216182919 1094140492 /nfs/dbraw/zinc/14/04/92/1094140492.db2.gz INKHXPVVZXMUDU-UHFFFAOYSA-N 0 0 317.408 3.385 20 10 DGCDRN COc1ncc(Nc2ccccc2C(=O)c2ccncc2)cc1O ZINC001216210439 1094147678 /nfs/dbraw/zinc/14/76/78/1094147678.db2.gz HRZVUHXDPQASLW-UHFFFAOYSA-N 0 0 321.336 3.165 20 10 DGCDRN COc1cc(N(CCO)c2ccc(N)cc2)ccc1OC(C)C ZINC001216249625 1094158356 /nfs/dbraw/zinc/15/83/56/1094158356.db2.gz OLIZAABBQQVXCC-UHFFFAOYSA-N 0 0 316.401 3.195 20 10 DGCDRN Cc1c(Cl)cccc1N(c1ccc(N)cc1)S(C)(=O)=O ZINC001216325349 1094174924 /nfs/dbraw/zinc/17/49/24/1094174924.db2.gz QBZVJCKHIGTGAE-UHFFFAOYSA-N 0 0 310.806 3.328 20 10 DGCDRN CCCNc1ccc(CNC(=O)NCc2ccc(N)cc2)cc1 ZINC001120617933 1094471705 /nfs/dbraw/zinc/47/17/05/1094471705.db2.gz JPTKQZQXAVHPLY-UHFFFAOYSA-N 0 0 312.417 3.090 20 10 DGCDRN CCS[C@H]1CC[C@H](N(C)C(=O)NCc2ccc(N)cc2)C1 ZINC001120676851 1094488124 /nfs/dbraw/zinc/48/81/24/1094488124.db2.gz DXQMYLICLMUBKX-GJZGRUSLSA-N 0 0 307.463 3.084 20 10 DGCDRN Cc1cncc(/C=C/C(=O)N(C)c2cccc3c2CCCN3)c1 ZINC001120731376 1094507046 /nfs/dbraw/zinc/50/70/46/1094507046.db2.gz XJNWBNVBMVWUQP-CMDGGOBGSA-N 0 0 307.397 3.424 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@H]1OC ZINC001120734541 1094507841 /nfs/dbraw/zinc/50/78/41/1094507841.db2.gz MENFJPANSZQPIL-DOTOQJQBSA-N 0 0 305.418 3.336 20 10 DGCDRN O=C(NCCc1cccs1)c1cc2cc(O)c(O)cc2s1 ZINC001135461260 1094544259 /nfs/dbraw/zinc/54/42/59/1094544259.db2.gz CCAQLDOOAFGDHO-UHFFFAOYSA-N 0 0 319.407 3.347 20 10 DGCDRN CC[C@@]1(C)CCCN(c2nnc(C3SC=CC3=O)n2C)C1 ZINC001121273778 1094638266 /nfs/dbraw/zinc/63/82/66/1094638266.db2.gz KUGULHLWOPJRQX-HNNXBMFYSA-N 0 0 306.435 3.266 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC001135797916 1094683539 /nfs/dbraw/zinc/68/35/39/1094683539.db2.gz WINPHICLVGYMON-SOUVJXGZSA-N 0 0 303.402 3.115 20 10 DGCDRN CN(C)c1ccc(/N=N/c2ccccn2)c(O[C@H]2C[C@@H](O)C2)c1 ZINC001218421889 1094766721 /nfs/dbraw/zinc/76/67/21/1094766721.db2.gz DFLUTFRUWHUGJI-GLAOQKLNSA-N 0 0 312.373 3.465 20 10 DGCDRN CS[C@@H](C)CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001136025242 1094803527 /nfs/dbraw/zinc/80/35/27/1094803527.db2.gz BTDSXLGANFJFRE-AWEZNQCLSA-N 0 0 306.475 3.387 20 10 DGCDRN Nc1ccc(CC(=O)Nc2ccc(OCC3CCC3)nc2)cc1 ZINC001218591333 1094839684 /nfs/dbraw/zinc/83/96/84/1094839684.db2.gz DFEPPZHMQQYBJD-UHFFFAOYSA-N 0 0 311.385 3.024 20 10 DGCDRN CC1(C)Nc2ccccc2[C@@H]1NC(=O)NCc1ccc(N)cc1 ZINC001337070050 1094841714 /nfs/dbraw/zinc/84/17/14/1094841714.db2.gz HKKQZDDBNQDGHZ-INIZCTEOSA-N 0 0 310.401 3.013 20 10 DGCDRN CC[C@H](F)C(=O)N(CC)Cc1cc(Br)ccc1O ZINC001337132454 1094865044 /nfs/dbraw/zinc/86/50/44/1094865044.db2.gz JKBIZBTURBAPAZ-NSHDSACASA-N 0 0 318.186 3.251 20 10 DGCDRN N=C(NC(=O)Cc1ccc(N)cc1)C12CC3CC(CC(C3)C1)C2 ZINC001219920748 1095033826 /nfs/dbraw/zinc/03/38/26/1095033826.db2.gz KFUAYQYYPFDFFW-UHFFFAOYSA-N 0 0 311.429 3.121 20 10 DGCDRN Nc1ccc(CC(=O)NCc2cc3cc(Cl)ccc3[nH]2)cc1 ZINC001219929762 1095035793 /nfs/dbraw/zinc/03/57/93/1095035793.db2.gz RIXAARIQBFFAOS-UHFFFAOYSA-N 0 0 313.788 3.262 20 10 DGCDRN CC(C)Cn1c(C2SC=CC2=O)nnc1N1CCC[C@H]1C ZINC001122741968 1095056569 /nfs/dbraw/zinc/05/65/69/1095056569.db2.gz CSVKYGAVEWLFPQ-LLVKDONJSA-N 0 0 306.435 3.357 20 10 DGCDRN Cc1cc(C(=O)OCc2nccn2C)c(C)n1-c1cccc(C)c1 ZINC001122859970 1095081398 /nfs/dbraw/zinc/08/13/98/1095081398.db2.gz UMWHRQLXOJJFCR-UHFFFAOYSA-N 0 0 323.396 3.493 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC2CCC=CCC2)c1 ZINC001337771783 1095089783 /nfs/dbraw/zinc/08/97/83/1095089783.db2.gz YLCPRGRCCKUMLI-GFCCVEGCSA-N 0 0 304.390 3.260 20 10 DGCDRN CCCCCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001220544820 1095109957 /nfs/dbraw/zinc/10/99/57/1095109957.db2.gz BPDGFULAYMLSHF-HNNXBMFYSA-N 0 0 319.449 3.153 20 10 DGCDRN Cc1cccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1F ZINC000316875456 1095197776 /nfs/dbraw/zinc/19/77/76/1095197776.db2.gz QLXUYVXMLHCGTB-UHFFFAOYSA-N 0 0 300.377 3.472 20 10 DGCDRN CC[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)[C@@H]1C ZINC001221545870 1095298500 /nfs/dbraw/zinc/29/85/00/1095298500.db2.gz XVMZYWLBVXYEOE-TZMCWYRMSA-N 0 0 307.413 3.222 20 10 DGCDRN CC(C)[C@]1(C)C[C@@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001221545517 1095299737 /nfs/dbraw/zinc/29/97/37/1095299737.db2.gz LNCYRXIKHNVPIW-RDJZCZTQSA-N 0 0 307.413 3.126 20 10 DGCDRN CN(Cc1ccccc1O)c1nnc([C@H]2[C@@H]3CCCC[C@@H]32)n1C ZINC001338596203 1095342889 /nfs/dbraw/zinc/34/28/89/1095342889.db2.gz BSEUALXWRDRWJD-FOLVSLTJSA-N 0 0 312.417 3.061 20 10 DGCDRN C[C@H](NC(=O)/C=C/c1nccs1)c1ccc(N(C)C)cc1 ZINC001123737356 1095415498 /nfs/dbraw/zinc/41/54/98/1095415498.db2.gz AYDWFVLRJAZCRK-BCPZQOPPSA-N 0 0 301.415 3.100 20 10 DGCDRN C[C@H](c1nnc(N(C)Cc2ccccc2O)n1C)C1CCC1 ZINC001338884261 1095424395 /nfs/dbraw/zinc/42/43/95/1095424395.db2.gz XECGTGRJNUFJLU-LBPRGKRZSA-N 0 0 300.406 3.061 20 10 DGCDRN COc1ccccc1CNC(=O)NCc1cccc(Cl)c1O ZINC001222089809 1095429167 /nfs/dbraw/zinc/42/91/67/1095429167.db2.gz LAQXDPXUMSNALQ-UHFFFAOYSA-N 0 0 320.776 3.054 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)CC(C2CC2)C2CC2)c1 ZINC001115990062 1095431883 /nfs/dbraw/zinc/43/18/83/1095431883.db2.gz OOBHDVYLOCFJMZ-NSHDSACASA-N 0 0 303.402 3.404 20 10 DGCDRN CC(C)n1cc(NC(=O)c2cc3cc(O)c(O)cc3s2)cn1 ZINC001144006304 1095464851 /nfs/dbraw/zinc/46/48/51/1095464851.db2.gz MDVCWFTYFOANBY-UHFFFAOYSA-N 0 0 317.370 3.342 20 10 DGCDRN CCc1ccc(C(C)(C)C(=O)NCc2cccc(O)c2O)cc1 ZINC001123889789 1095473361 /nfs/dbraw/zinc/47/33/61/1095473361.db2.gz QIWSGBZODURBGA-UHFFFAOYSA-N 0 0 313.397 3.254 20 10 DGCDRN CCCC(=O)C(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001144046013 1095484026 /nfs/dbraw/zinc/48/40/26/1095484026.db2.gz CDTRBUJOAMRPRJ-MRXNPFEDSA-N 0 0 303.402 3.118 20 10 DGCDRN CC[C@H](F)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC001339064844 1095484982 /nfs/dbraw/zinc/48/49/82/1095484982.db2.gz BDDZKTDIPSVFDC-ZDUSSCGKSA-N 0 0 320.330 3.392 20 10 DGCDRN CS[C@@H]1CC[C@H]([N@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC001116211568 1095485369 /nfs/dbraw/zinc/48/53/69/1095485369.db2.gz JQLOPLNBDYCZRJ-UONOGXRCSA-N 0 0 311.422 3.450 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@@]12CCC[NH2+]C2 ZINC001222236854 1095502882 /nfs/dbraw/zinc/50/28/82/1095502882.db2.gz BYYMXCVXJFOOHY-OAHLLOKOSA-N 0 0 315.244 3.417 20 10 DGCDRN [O-]c1cc(F)c(Br)cc1C[N@@H+]1CCCC12CC2 ZINC001144298768 1095590321 /nfs/dbraw/zinc/59/03/21/1095590321.db2.gz IPDJRPWBIXZOLW-UHFFFAOYSA-N 0 0 300.171 3.422 20 10 DGCDRN CSCC[N@H+](C)Cc1cc(Br)c(F)cc1[O-] ZINC001144307857 1095602159 /nfs/dbraw/zinc/60/21/59/1095602159.db2.gz JGTQGJVJYJKWDU-UHFFFAOYSA-N 0 0 308.216 3.089 20 10 DGCDRN Cc1cc(F)c(C(=O)NCc2ccc(N(C)C)cc2)c(F)c1 ZINC001124553603 1095603026 /nfs/dbraw/zinc/60/30/26/1095603026.db2.gz SNEJPQYFAFJMOH-UHFFFAOYSA-N 0 0 304.340 3.269 20 10 DGCDRN CC[C@@H]1CCCN(c2nnc(C3SC=CC3=O)n2CC)C1 ZINC001339366061 1095603130 /nfs/dbraw/zinc/60/31/30/1095603130.db2.gz AZHSVJLOTULLCV-LLVKDONJSA-N 0 0 306.435 3.359 20 10 DGCDRN CO[C@@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)C1CCC1 ZINC001124549100 1095603625 /nfs/dbraw/zinc/60/36/25/1095603625.db2.gz CESGMXFPBASTJD-GOSISDBHSA-N 0 0 316.445 3.060 20 10 DGCDRN Cc1nc(CN2CCCc3cc(O)c(O)cc3C2)sc1C ZINC001144375587 1095627643 /nfs/dbraw/zinc/62/76/43/1095627643.db2.gz ROWFUBPXORIHMG-UHFFFAOYSA-N 0 0 304.415 3.120 20 10 DGCDRN CN(C[C@H]1CC=CCC1)c1nnc(C2SC=CC2=O)n1C ZINC001339459703 1095630257 /nfs/dbraw/zinc/63/02/57/1095630257.db2.gz ZIDPKKGPXQZOPF-NSHDSACASA-N 0 0 304.419 3.042 20 10 DGCDRN C[C@@H](NC(=O)c1nccc(Cl)c1F)c1ccc(N(C)C)cc1 ZINC001116701609 1095639078 /nfs/dbraw/zinc/63/90/78/1095639078.db2.gz CLTBKCJOQACQEM-SNVBAGLBSA-N 0 0 321.783 3.431 20 10 DGCDRN CCc1ccnc(NCc2cc(Br)ccc2O)n1 ZINC001171174176 1095639651 /nfs/dbraw/zinc/63/96/51/1095639651.db2.gz LINAZNHRWUBQAF-UHFFFAOYSA-N 0 0 308.179 3.119 20 10 DGCDRN COc1cccc(CNC(=O)[C@H](C)c2ccc(F)cc2F)c1O ZINC001339604191 1095672098 /nfs/dbraw/zinc/67/20/98/1095672098.db2.gz JRWZGOWXVJFMJV-SNVBAGLBSA-N 0 0 321.323 3.099 20 10 DGCDRN CN1CC[N@H+](Cc2c([O-])cccc2F)C[C@H]1c1ccccc1 ZINC001137837713 1095759767 /nfs/dbraw/zinc/75/97/67/1095759767.db2.gz RQCAPKTZZJZDDE-KRWDZBQOSA-N 0 0 300.377 3.020 20 10 DGCDRN CCOC(=O)CN(C)Cc1cc(C)n(-c2ccccc2)c1C ZINC001137855834 1095767206 /nfs/dbraw/zinc/76/72/06/1095767206.db2.gz HLHFOAUWEPBHIJ-UHFFFAOYSA-N 0 0 300.402 3.089 20 10 DGCDRN Cc1cc(CN2CCc3cnn(C)c3C2)c(C)n1-c1ccccc1 ZINC001137859246 1095770639 /nfs/dbraw/zinc/77/06/39/1095770639.db2.gz PYEKNZWMKAUTTB-UHFFFAOYSA-N 0 0 320.440 3.386 20 10 DGCDRN CCOC1CC(CC(=O)Nc2c3nonc3ccc2Cl)C1 ZINC001117548841 1095780765 /nfs/dbraw/zinc/78/07/65/1095780765.db2.gz WUBVOYOIOAKUMF-UHFFFAOYSA-N 0 0 309.753 3.020 20 10 DGCDRN COc1ccc(O)c(CNc2ccc3c(cc(C)c(=O)n3C)c2)c1 ZINC001117686212 1095802364 /nfs/dbraw/zinc/80/23/64/1095802364.db2.gz GRSOTTMEMWQLQJ-UHFFFAOYSA-N 0 0 324.380 3.173 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001340026813 1095823117 /nfs/dbraw/zinc/82/31/17/1095823117.db2.gz TZAKARUFRXSRPH-NXEZZACHSA-N 0 0 324.475 3.062 20 10 DGCDRN COc1cc(N(C)Cc2cccn2C2CC2)cc(OC)c1OC ZINC001117744708 1095826449 /nfs/dbraw/zinc/82/64/49/1095826449.db2.gz UDCQYVTUKMIUCS-UHFFFAOYSA-N 0 0 316.401 3.485 20 10 DGCDRN C[C@H]1C[N@H+](Cc2cccc(F)c2[O-])CCC[C@@]1(O)C(F)(F)F ZINC001138122676 1095896625 /nfs/dbraw/zinc/89/66/25/1095896625.db2.gz UMUHVDMDANYVIL-HZMBPMFUSA-N 0 0 321.314 3.057 20 10 DGCDRN C[C@@]1(c2ccc(F)cc2)CN(Cc2cccc(F)c2O)CCO1 ZINC001138128729 1095897646 /nfs/dbraw/zinc/89/76/46/1095897646.db2.gz WKKYMPQDJGKBMW-SFHVURJKSA-N 0 0 319.351 3.418 20 10 DGCDRN Oc1c(F)cccc1CN1CCN(c2ccc(F)cc2F)CC1 ZINC001138128658 1095900974 /nfs/dbraw/zinc/90/09/74/1095900974.db2.gz SSFGICLGLRRKRI-UHFFFAOYSA-N 0 0 322.330 3.132 20 10 DGCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@H](OCc2ccccc2)C1 ZINC001138127935 1095901373 /nfs/dbraw/zinc/90/13/73/1095901373.db2.gz XBGNUKALYGUAAQ-INIZCTEOSA-N 0 0 301.361 3.322 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@]12CCOC2 ZINC001117996856 1095917633 /nfs/dbraw/zinc/91/76/33/1095917633.db2.gz GIBRIQUDSSNKRK-QGZVFWFLSA-N 0 0 316.426 3.161 20 10 DGCDRN Oc1ccc2c(c1)CN(Cc1ccc(N3CCCC3)cc1)CCO2 ZINC001118630939 1096050204 /nfs/dbraw/zinc/05/02/04/1096050204.db2.gz PUYKWAPXUUUZBN-UHFFFAOYSA-N 0 0 324.424 3.387 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)[C@@H]3CCC3(C)C)CC2)cc1 ZINC001118690038 1096054196 /nfs/dbraw/zinc/05/41/96/1096054196.db2.gz QPPCBVWMPIWYPA-KRWDZBQOSA-N 0 0 316.445 3.170 20 10 DGCDRN COc1ccc(N2CC3(CCN3C(=O)[C@H]3C=CCC=C3C)C2)cc1 ZINC001276923984 1096074608 /nfs/dbraw/zinc/07/46/08/1096074608.db2.gz APRBTBBWTLCJMJ-SFHVURJKSA-N 0 0 324.424 3.009 20 10 DGCDRN COCC[C@@H]1CCN(C(=O)/C=C/c2cnccn2)c2ccccc21 ZINC001341077439 1096111626 /nfs/dbraw/zinc/11/16/26/1096111626.db2.gz BEFWKHONOVCIIW-LFAOLKIESA-N 0 0 323.396 3.047 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)/C=C(/C)C3CC3)CC2)cc1 ZINC001341089848 1096113729 /nfs/dbraw/zinc/11/37/29/1096113729.db2.gz HGUPSQDUYVWNPB-PFONDFGASA-N 0 0 314.429 3.090 20 10 DGCDRN C[C@H](NC(=O)CCCC(=O)OC(C)(C)C)c1ccccc1O ZINC001119049505 1096126149 /nfs/dbraw/zinc/12/61/49/1096126149.db2.gz NTSMDBUPALZOOR-LBPRGKRZSA-N 0 0 307.390 3.081 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(F)ncc1F ZINC001146968916 1096147508 /nfs/dbraw/zinc/14/75/08/1096147508.db2.gz QKBKKZFGPYLABR-UHFFFAOYSA-N 0 0 319.355 3.088 20 10 DGCDRN Nc1ccc(NC(=O)c2cccc(C(=O)N3CCCCC3)c2)cc1 ZINC001341343591 1096159287 /nfs/dbraw/zinc/15/92/87/1096159287.db2.gz MGSICZRJNSXDAS-UHFFFAOYSA-N 0 0 323.396 3.147 20 10 DGCDRN O=C(c1cnccc1C(F)(F)F)N1CCc2cccc(O)c2C1 ZINC001147267579 1096197005 /nfs/dbraw/zinc/19/70/05/1096197005.db2.gz NYFZMYVUKRTHCA-UHFFFAOYSA-N 0 0 322.286 3.005 20 10 DGCDRN O=C(NCc1cc2cc(Cl)ccc2[nH]1)c1cccc(O)c1O ZINC001148220117 1096328507 /nfs/dbraw/zinc/32/85/07/1096328507.db2.gz RNQFAPONJBSSFH-UHFFFAOYSA-N 0 0 316.744 3.163 20 10 DGCDRN O=C(N[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1)c1cccc(O)c1O ZINC001148224448 1096329374 /nfs/dbraw/zinc/32/93/74/1096329374.db2.gz MDEKODIBGCUTOK-DACLVMHWSA-N 0 0 323.392 3.410 20 10 DGCDRN O=C(Nc1ncccc1-c1ccccc1)c1cc(O)c(O)c(O)c1 ZINC001148579845 1096407680 /nfs/dbraw/zinc/40/76/80/1096407680.db2.gz BYADUDDOPHJMDW-UHFFFAOYSA-N 0 0 322.320 3.118 20 10 DGCDRN CC(C)(C)c1ccc(CNC(=O)c2cc(O)c(O)c(O)c2)cc1 ZINC001148589821 1096408382 /nfs/dbraw/zinc/40/83/82/1096408382.db2.gz MNDFBVDTXKLYEB-UHFFFAOYSA-N 0 0 315.369 3.031 20 10 DGCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@@H]1COC(C)(C)O1 ZINC001171353546 1096526617 /nfs/dbraw/zinc/52/66/17/1096526617.db2.gz NDRUHDWWEYYMEC-DOTOQJQBSA-N 0 0 319.445 3.481 20 10 DGCDRN O=c1ccnc2c(NCc3cc4ccccc4cc3O)cccn12 ZINC001171406795 1096676178 /nfs/dbraw/zinc/67/61/78/1096676178.db2.gz FVSVMGSTMBURDT-UHFFFAOYSA-N 0 0 317.348 3.165 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2cc3[nH]ccc3s2)c(O)c1 ZINC001149867611 1096772675 /nfs/dbraw/zinc/77/26/75/1096772675.db2.gz FHWWLMXQWCVSJO-UHFFFAOYSA-N 0 0 300.383 3.482 20 10 DGCDRN O=C1C=CC(=NNc2ccccn2)C(O[C@@H]2CCCOC2=O)=C1 ZINC001227488359 1096940107 /nfs/dbraw/zinc/94/01/07/1096940107.db2.gz GQITXRRIKMESFX-NIVDNSEKSA-N 0 0 313.313 3.287 20 10 DGCDRN O=C1C=CC(=NNc2ccccn2)C(O[C@@H]2COC[C@H]2F)=C1 ZINC001227486425 1096940267 /nfs/dbraw/zinc/94/02/67/1096940267.db2.gz HSYKXNWCFBJBHQ-HNZIZMLZSA-N 0 0 303.293 3.318 20 10 DGCDRN Cc1ccc(F)c(OCC(=O)N[C@H](C)c2ccccc2O)c1 ZINC001171723691 1096954817 /nfs/dbraw/zinc/95/48/17/1096954817.db2.gz XLBCHMUDGQSEGD-GFCCVEGCSA-N 0 0 303.333 3.096 20 10 DGCDRN C[C@H](NC(=O)c1ccnc(Br)c1)c1ccccc1O ZINC001171730560 1096956821 /nfs/dbraw/zinc/95/68/21/1096956821.db2.gz OJNOXIQADKOUSK-VIFPVBQESA-N 0 0 321.174 3.041 20 10 DGCDRN O=C1c2ccccc2C(=O)c2c(OC[C@H]3CCCCO3)cccc21 ZINC001228074064 1097044689 /nfs/dbraw/zinc/04/46/89/1097044689.db2.gz NXLZCVOUEIRHQP-CYBMUJFWSA-N 0 0 322.360 3.410 20 10 DGCDRN C=Cc1ccc(CCNC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC001228840253 1097201081 /nfs/dbraw/zinc/20/10/81/1097201081.db2.gz TZGLXUDIANKZCW-UHFFFAOYSA-N 0 0 308.381 3.303 20 10 DGCDRN COc1ccc(-c2noc(-c3nnsc3C3CC3)n2)c(F)c1 ZINC001212679563 1097227110 /nfs/dbraw/zinc/22/71/10/1097227110.db2.gz JWFUQFHOFINADI-UHFFFAOYSA-N 0 0 318.333 3.280 20 10 DGCDRN Fc1cc(F)cc(-c2noc(-c3nnsc3C3CC3)n2)c1 ZINC001212679542 1097227234 /nfs/dbraw/zinc/22/72/34/1097227234.db2.gz ITDRWUAHQKSDEI-UHFFFAOYSA-N 0 0 306.297 3.411 20 10 DGCDRN CN(C)c1ccc(-c2noc(-c3nnsc3C3CC3)n2)cc1 ZINC001212679738 1097228249 /nfs/dbraw/zinc/22/82/49/1097228249.db2.gz ROUQYVVLUTUNFZ-UHFFFAOYSA-N 0 0 313.386 3.199 20 10 DGCDRN O=C1CCc2cc(-c3noc(-c4nnsc4C4CC4)n3)ccc21 ZINC001212679751 1097228285 /nfs/dbraw/zinc/22/82/85/1097228285.db2.gz SBIQCVIALSYDLD-UHFFFAOYSA-N 0 0 324.365 3.261 20 10 DGCDRN CC(C)c1snnc1-c1nc(-c2ccc3c(c2)OCO3)no1 ZINC001212687489 1097260681 /nfs/dbraw/zinc/26/06/81/1097260681.db2.gz WMJAUSBBUSVBNX-UHFFFAOYSA-N 0 0 316.342 3.107 20 10 DGCDRN CC[C@@H](O)C(=O)OC1=CC(=O)C=CC1=NNc1ccccc1 ZINC001229816849 1097392250 /nfs/dbraw/zinc/39/22/50/1097392250.db2.gz VIDGYGYCYRMHIZ-IAFNSTAXSA-N 0 0 300.314 3.484 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2[nH]cnc2c1 ZINC000324624570 1097437269 /nfs/dbraw/zinc/43/72/69/1097437269.db2.gz OWIVQOJFQONAAO-UHFFFAOYSA-N 0 0 322.412 3.291 20 10 DGCDRN CC(C)c1ccc(N(c2ccc(N)cc2)S(C)(=O)=O)cc1 ZINC001173895815 1097531538 /nfs/dbraw/zinc/53/15/38/1097531538.db2.gz QEVIJRSNLPWMTN-UHFFFAOYSA-N 0 0 304.415 3.490 20 10 DGCDRN COc1ncc(N(Cc2ccccc2)c2ccc(N)cc2)cn1 ZINC001174034747 1097594520 /nfs/dbraw/zinc/59/45/20/1097594520.db2.gz AQEMSQQOZAOEBB-UHFFFAOYSA-N 0 0 306.369 3.406 20 10 DGCDRN O=C(NCc1ccco1)c1cccc(Nc2cccc(O)c2O)c1 ZINC001174200944 1097642577 /nfs/dbraw/zinc/64/25/77/1097642577.db2.gz FHTQKJZYODDKBY-UHFFFAOYSA-N 0 0 324.336 3.364 20 10 DGCDRN C[C@H]1C[C@H](Oc2ccc3c(c2)C(=O)c2ccccc2C3=O)CCO1 ZINC001231266396 1097708034 /nfs/dbraw/zinc/70/80/34/1097708034.db2.gz TZXBUOJDMDWCNI-GXTWGEPZSA-N 0 0 322.360 3.408 20 10 DGCDRN O=C([O-])c1ccc(C[N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c(O)c1 ZINC001231455106 1097753583 /nfs/dbraw/zinc/75/35/83/1097753583.db2.gz WOOIFSRFJHVWOF-GASCZTMLSA-N 0 0 309.365 3.177 20 10 DGCDRN COCCn1cc(Nc2cccc3c2C(=O)c2ccccc2-3)cn1 ZINC001174552661 1097775633 /nfs/dbraw/zinc/77/56/33/1097775633.db2.gz VBCKOPDIEWIHGH-UHFFFAOYSA-N 0 0 319.364 3.485 20 10 DGCDRN CCn1cc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cn1 ZINC001174567901 1097780655 /nfs/dbraw/zinc/78/06/55/1097780655.db2.gz JOWQRGTYORKXRJ-UHFFFAOYSA-N 0 0 317.348 3.422 20 10 DGCDRN Cc1cccc(C[N@H+](C)Cc2cncc(Br)c2)c1O ZINC001231592897 1097787159 /nfs/dbraw/zinc/78/71/59/1097787159.db2.gz WAPCUYQLJHPGTJ-UHFFFAOYSA-N 0 0 321.218 3.490 20 10 DGCDRN COC(=O)C[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001231591213 1097787428 /nfs/dbraw/zinc/78/74/28/1097787428.db2.gz YSDZEZZTICJSJK-AWEZNQCLSA-N 0 0 313.397 3.321 20 10 DGCDRN CCOCc1cnc2n1CCN(Cc1cccc(C)c1O)[C@@H]2C ZINC001231593269 1097787496 /nfs/dbraw/zinc/78/74/96/1097787496.db2.gz TYBSZLFJAVDBLX-CQSZACIVSA-N 0 0 315.417 3.010 20 10 DGCDRN Cc1cccc(CN2CC[C@H]2N(C)C(=O)OC(C)(C)C)c1O ZINC001231595072 1097788347 /nfs/dbraw/zinc/78/83/47/1097788347.db2.gz RQCFJVBPVKCNLZ-AWEZNQCLSA-N 0 0 306.406 3.099 20 10 DGCDRN COc1cc(CN(C)Cc2csc(C(C)C)n2)c(O)cc1O ZINC001231637597 1097798942 /nfs/dbraw/zinc/79/89/42/1097798942.db2.gz NRCDOHDHWKKVGC-UHFFFAOYSA-N 0 0 322.430 3.318 20 10 DGCDRN Cc1cc(Nc2cccc3c2C(=O)c2ccccc2C3=O)n(C)n1 ZINC001174823920 1097848215 /nfs/dbraw/zinc/84/82/15/1097848215.db2.gz SKGCRGKQIOAZHZ-UHFFFAOYSA-N 0 0 317.348 3.248 20 10 DGCDRN CCOC(=O)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])[C@@H]1C ZINC001231912426 1097889453 /nfs/dbraw/zinc/88/94/53/1097889453.db2.gz FTTDYJIMHOHQHB-YPMHNXCESA-N 0 0 311.809 3.209 20 10 DGCDRN C[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CC[C@@]1(O)C(F)(F)F ZINC001231910674 1097890107 /nfs/dbraw/zinc/89/01/07/1097890107.db2.gz QESBFNGUVAUBAN-ZANVPECISA-N 0 0 323.742 3.181 20 10 DGCDRN CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001231910147 1097890727 /nfs/dbraw/zinc/89/07/27/1097890727.db2.gz WHSCWBQOLFWVID-AWEZNQCLSA-N 0 0 324.852 3.126 20 10 DGCDRN O=C(c1ncoc1-c1ccc(F)cc1)N1Cc2cccc(O)c2C1 ZINC001175038708 1097927008 /nfs/dbraw/zinc/92/70/08/1097927008.db2.gz UATKEKBJLJHALA-UHFFFAOYSA-N 0 0 324.311 3.342 20 10 DGCDRN C[C@@H]1C[C@H](F)CN1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232195377 1097962791 /nfs/dbraw/zinc/96/27/91/1097962791.db2.gz SXSNOTUYSLPXHG-OCCSQVGLSA-N 0 0 312.816 3.109 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1c(Cl)ccnc1F)CCC2 ZINC001232618813 1098096690 /nfs/dbraw/zinc/09/66/90/1098096690.db2.gz GFWJLCNVBBEGOV-UHFFFAOYSA-N 0 0 322.767 3.234 20 10 DGCDRN Cc1nc(N)ncc1N(Cc1ccccc1)c1ccc(N)cc1 ZINC001175671658 1098132761 /nfs/dbraw/zinc/13/27/61/1098132761.db2.gz WBKGMXPVEBPLFH-UHFFFAOYSA-N 0 0 305.385 3.288 20 10 DGCDRN CN(C)c1ccc(C[N@@H+]2CCc3cc(F)c(F)cc3C2)c(O)c1 ZINC001232841542 1098150805 /nfs/dbraw/zinc/15/08/05/1098150805.db2.gz IYXUZJUUIBURJN-UHFFFAOYSA-N 0 0 318.367 3.295 20 10 DGCDRN Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(F)c(F)c3[O-])C2)nc1 ZINC001233079945 1098221598 /nfs/dbraw/zinc/22/15/98/1098221598.db2.gz OCRHUSDQURLWBA-ZDUSSCGKSA-N 0 0 320.339 3.027 20 10 DGCDRN Cc1cc(Br)cc(CN2CCCC(=O)CC2)c1O ZINC001233108330 1098228590 /nfs/dbraw/zinc/22/85/90/1098228590.db2.gz KZAIWJCYNNSAKM-UHFFFAOYSA-N 0 0 312.207 3.018 20 10 DGCDRN CC(=O)N1CC=C(N(c2ccc(N)cc2)c2ccc(N)cc2)CC1 ZINC001176037695 1098239921 /nfs/dbraw/zinc/23/99/21/1098239921.db2.gz YZTFNBGNXNOSNO-UHFFFAOYSA-N 0 0 322.412 3.125 20 10 DGCDRN Oc1ccc2cc(Br)ccc2c1CN1CCCO1 ZINC001233194585 1098248976 /nfs/dbraw/zinc/24/89/76/1098248976.db2.gz YQPKUCBDWQPLHK-UHFFFAOYSA-N 0 0 308.175 3.445 20 10 DGCDRN Nc1ccc(OC(=O)c2ccc(Nc3ccc(=O)[nH]c3)cc2)cc1 ZINC001176131307 1098269279 /nfs/dbraw/zinc/26/92/79/1098269279.db2.gz PUWRTHOYSSPSJW-UHFFFAOYSA-N 0 0 321.336 3.332 20 10 DGCDRN CC(C)(C)c1ccc(O)c(CN2CC(N3CCC(F)(F)C3)C2)c1 ZINC001233286022 1098274971 /nfs/dbraw/zinc/27/49/71/1098274971.db2.gz BGTWIBHMHKHJGL-UHFFFAOYSA-N 0 0 324.415 3.215 20 10 DGCDRN Oc1ccc(F)c(F)c1CN1CCOC[C@H]1Cc1ccccc1 ZINC001233335984 1098291923 /nfs/dbraw/zinc/29/19/23/1098291923.db2.gz TZGHIBWMQQSTSH-CQSZACIVSA-N 0 0 319.351 3.114 20 10 DGCDRN C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1c([O-])ccc(F)c1F ZINC001233331588 1098292087 /nfs/dbraw/zinc/29/20/87/1098292087.db2.gz CMAPOTXZPKQJGT-UHFFFAOYSA-N 0 0 321.323 3.074 20 10 DGCDRN Oc1ccc(F)c(F)c1CN1CCOC[C@@H]1C1CCCCC1 ZINC001233336692 1098293607 /nfs/dbraw/zinc/29/36/07/1098293607.db2.gz VVCKFARQEOGICB-OAHLLOKOSA-N 0 0 311.372 3.452 20 10 DGCDRN O=C(c1ccccc1)[C@@H]1CC[N@@H+](Cc2c([O-])ccc(F)c2F)C1 ZINC001233336462 1098294562 /nfs/dbraw/zinc/29/45/62/1098294562.db2.gz MIQOLVQMXDHABI-CYBMUJFWSA-N 0 0 317.335 3.375 20 10 DGCDRN C[C@@H]1CCN(Cc2cccc(C(F)(F)F)c2O)CCC1=O ZINC001233415801 1098322274 /nfs/dbraw/zinc/32/22/74/1098322274.db2.gz ITCJEFUFGWXWAO-SNVBAGLBSA-N 0 0 301.308 3.212 20 10 DGCDRN C[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])[C@@H]1CO ZINC001233415734 1098322331 /nfs/dbraw/zinc/32/23/31/1098322331.db2.gz HEJVRDLRNGQHJW-GXFFZTMASA-N 0 0 303.324 3.004 20 10 DGCDRN C[C@@]1(CO)CCC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233415690 1098323338 /nfs/dbraw/zinc/32/33/38/1098323338.db2.gz FTSNPVBJLYFEAT-OAHLLOKOSA-N 0 0 317.351 3.396 20 10 DGCDRN [O-]c1c(C[NH+]2CCC3(COC3)CC2)cccc1C(F)(F)F ZINC001233415995 1098323825 /nfs/dbraw/zinc/32/38/25/1098323825.db2.gz RUWSTQAJPFNNIB-UHFFFAOYSA-N 0 0 301.308 3.023 20 10 DGCDRN CCCO[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233417987 1098324825 /nfs/dbraw/zinc/32/48/25/1098324825.db2.gz PDBHSQRPZHJOCN-LBPRGKRZSA-N 0 0 303.324 3.412 20 10 DGCDRN CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233419363 1098325717 /nfs/dbraw/zinc/32/57/17/1098325717.db2.gz VEHOITYMAIKTKX-GFCCVEGCSA-N 0 0 303.324 3.146 20 10 DGCDRN Oc1c(CN2CCc3ccncc3C2)cccc1C(F)(F)F ZINC001233418348 1098326094 /nfs/dbraw/zinc/32/60/94/1098326094.db2.gz CNJHDLSSLTZQJY-UHFFFAOYSA-N 0 0 308.303 3.364 20 10 DGCDRN CN(Cc1cn2cccc(Cl)c2n1)Cc1ccccc1O ZINC001233423878 1098327740 /nfs/dbraw/zinc/32/77/40/1098327740.db2.gz PJRIAGXFMWMHPB-UHFFFAOYSA-N 0 0 301.777 3.325 20 10 DGCDRN Oc1cc(C(F)(F)F)ccc1CN1Cc2ncsc2C1 ZINC001233455209 1098339993 /nfs/dbraw/zinc/33/99/93/1098339993.db2.gz ASAPZOYJZFTOMY-UHFFFAOYSA-N 0 0 300.305 3.383 20 10 DGCDRN CCCC(=O)c1cc(O)c(O)cc1OC1=C(C)[C@@H](CC)OC1=O ZINC001233497828 1098351726 /nfs/dbraw/zinc/35/17/26/1098351726.db2.gz RUIJCIVLJPFXTG-CQSZACIVSA-N 0 0 320.341 3.069 20 10 DGCDRN CN(c1ccc(N)cc1)c1ccc(CN2CCOCC2)cc1F ZINC001176489702 1098365664 /nfs/dbraw/zinc/36/56/64/1098365664.db2.gz ALNZQSVTZAIEFH-UHFFFAOYSA-N 0 0 315.392 3.008 20 10 DGCDRN Nc1ccc(N(c2ccc(N)cc2)c2cnc3nonc3c2)cc1 ZINC001176695265 1098408581 /nfs/dbraw/zinc/40/85/81/1098408581.db2.gz ISVWHGFKMNWJBX-UHFFFAOYSA-N 0 0 318.340 3.252 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1cc2ccc(F)cc2s1 ZINC001176748408 1098419114 /nfs/dbraw/zinc/41/91/14/1098419114.db2.gz RQCKFMNYIHFDDJ-UHFFFAOYSA-N 0 0 317.341 3.382 20 10 DGCDRN Oc1c(CN2CCn3cccc3C2)cccc1OC(F)(F)F ZINC001233754446 1098422302 /nfs/dbraw/zinc/42/23/02/1098422302.db2.gz FUFDIBXKONCMAX-UHFFFAOYSA-N 0 0 312.291 3.108 20 10 DGCDRN CN(C)c1ccnc(Cl)c1CN(C)Cc1ccccc1O ZINC001234142631 1098504116 /nfs/dbraw/zinc/50/41/16/1098504116.db2.gz KYPWAXYZVWHZMA-UHFFFAOYSA-N 0 0 305.809 3.139 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1OCc1ccc(OC(C)C)nc1 ZINC001234473901 1098564281 /nfs/dbraw/zinc/56/42/81/1098564281.db2.gz LVTVSLSRBUGTGQ-UHFFFAOYSA-N 0 0 317.341 3.062 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1O[C@H](C)COc1ccccc1 ZINC001234473597 1098564549 /nfs/dbraw/zinc/56/45/49/1098564549.db2.gz IPGINFYTOYOIHK-LLVKDONJSA-N 0 0 302.326 3.147 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1O[C@H]1CCOc2ccccc21 ZINC001234474722 1098564710 /nfs/dbraw/zinc/56/47/10/1098564710.db2.gz WNXMXNNBKNZKDV-INIZCTEOSA-N 0 0 300.310 3.203 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3CCCC[C@@](C)(O)C3)c2c1 ZINC001234526460 1098580149 /nfs/dbraw/zinc/58/01/49/1098580149.db2.gz WALJYEVQKHSIJC-LJQANCHMSA-N 0 0 315.413 3.291 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3C[C@@H](CO)CC[C@@H]3C)c2c1 ZINC001234525965 1098580807 /nfs/dbraw/zinc/58/08/07/1098580807.db2.gz OKSMFTQEKGDZFP-KBPBESRZSA-N 0 0 315.413 3.147 20 10 DGCDRN COc1ccc2ccc(O)c(CN3CCC[C@H](F)C(=O)C3)c2c1 ZINC001234526503 1098582397 /nfs/dbraw/zinc/58/23/97/1098582397.db2.gz WRAOREGYKJUHJE-INIZCTEOSA-N 0 0 317.360 3.057 20 10 DGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)Cc2ccc[nH]2)cc1 ZINC001177870111 1098624913 /nfs/dbraw/zinc/62/49/13/1098624913.db2.gz LNSOTYABBYUSOW-UHFFFAOYSA-N 0 0 305.381 3.373 20 10 DGCDRN Oc1c(CN2CCn3nccc3C2)cccc1-c1ccccc1 ZINC001234998304 1098740853 /nfs/dbraw/zinc/74/08/53/1098740853.db2.gz JDEPSWYVMJNXKG-UHFFFAOYSA-N 0 0 305.381 3.272 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001235066121 1098781357 /nfs/dbraw/zinc/78/13/57/1098781357.db2.gz WBIVEAWXBQVEBT-BKDNQFJXSA-N 0 0 318.161 3.226 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cccc(-c2cnco2)c1 ZINC001178413668 1098827553 /nfs/dbraw/zinc/82/75/53/1098827553.db2.gz VSCRMALDGOACOB-UHFFFAOYSA-N 0 0 312.300 3.116 20 10 DGCDRN Cc1ccc2snc(C(=O)NCc3c(O)cccc3F)c2c1 ZINC001178412568 1098827739 /nfs/dbraw/zinc/82/77/39/1098827739.db2.gz AKVLBTUMCSFJRM-UHFFFAOYSA-N 0 0 316.357 3.379 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1CN1CCCC[C@@]12CCC[NH2+]C2 ZINC001235177371 1098858269 /nfs/dbraw/zinc/85/82/69/1098858269.db2.gz PNIJERCXZWNVLO-INIZCTEOSA-N 0 0 312.816 3.293 20 10 DGCDRN C/C(=C\C(=O)NCc1c(O)cccc1O)c1cccc(Cl)c1 ZINC001178910530 1098969635 /nfs/dbraw/zinc/96/96/35/1098969635.db2.gz FVBCKPBCXBKABI-DHZHZOJOSA-N 0 0 317.772 3.471 20 10 DGCDRN CCN(CC)c1ccc(CNc2ccc3nc(C)nn3c2)cc1 ZINC001179011678 1098996991 /nfs/dbraw/zinc/99/69/91/1098996991.db2.gz OKVPZUKKDOWVRG-UHFFFAOYSA-N 0 0 309.417 3.496 20 10 DGCDRN Cc1cccc(C(=O)NCc2c(O)ccc3ccccc32)c1O ZINC001179030017 1099004779 /nfs/dbraw/zinc/00/47/79/1099004779.db2.gz WSKLDPUXEXCFLN-UHFFFAOYSA-N 0 0 307.349 3.489 20 10 DGCDRN Cn1cc(-c2cccc(NCc3c(O)cccc3Cl)c2)nn1 ZINC001179204603 1099036906 /nfs/dbraw/zinc/03/69/06/1099036906.db2.gz BFJXIUZKIHMIPM-UHFFFAOYSA-N 0 0 314.776 3.453 20 10 DGCDRN CC(C)(C)c1ccc(CN2CCO[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001235678673 1099121524 /nfs/dbraw/zinc/12/15/24/1099121524.db2.gz KMTDXQXZAIOLDC-CQSZACIVSA-N 0 0 317.351 3.453 20 10 DGCDRN Cc1cccc(C2(NC(=O)/C=C/c3ccc(O)c(O)c3)CC2)c1 ZINC001179691419 1099165085 /nfs/dbraw/zinc/16/50/85/1099165085.db2.gz NNOYAAZZGGVSKO-SOFGYWHQSA-N 0 0 309.365 3.225 20 10 DGCDRN Cc1cc(C)c(CNC(=O)Cc2cc(F)cc(F)c2F)c(O)c1 ZINC001179846305 1099220033 /nfs/dbraw/zinc/22/00/33/1099220033.db2.gz ZMQLYVRMTGYXMH-UHFFFAOYSA-N 0 0 323.314 3.285 20 10 DGCDRN O=C(CSc1ccc2ccccc2n1)NCc1ccccc1O ZINC001180036129 1099287754 /nfs/dbraw/zinc/28/77/54/1099287754.db2.gz DXLRILVWMQZOBV-UHFFFAOYSA-N 0 0 324.405 3.349 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)N[C@H]2CCCC(F)(F)C2)cc1 ZINC001180129715 1099307554 /nfs/dbraw/zinc/30/75/54/1099307554.db2.gz DAMZJVKLGBPIAD-RNVIBTMRSA-N 0 0 308.372 3.460 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)Nc2ccc(F)c(O)c2)cc1 ZINC001180128941 1099307901 /nfs/dbraw/zinc/30/79/01/1099307901.db2.gz YRJIIJAJIVYQBT-BJMVGYQFSA-N 0 0 300.333 3.249 20 10 DGCDRN CCOC(=O)[C@@H]1CCCCN1Cc1cc(Cl)c(C)cc1O ZINC001180086728 1099308198 /nfs/dbraw/zinc/30/81/98/1099308198.db2.gz LSMOLUPILZYXDX-AWEZNQCLSA-N 0 0 311.809 3.272 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)Nc2ncnc3sccc32)cc1 ZINC001180122026 1099321454 /nfs/dbraw/zinc/32/14/54/1099321454.db2.gz DMYNZXHBEGNLDT-VMPITWQZSA-N 0 0 324.409 3.409 20 10 DGCDRN CC(C)Cn1cnc(NC(=O)/C=C/c2ccc(N(C)C)cc2)c1 ZINC001180123295 1099322203 /nfs/dbraw/zinc/32/22/03/1099322203.db2.gz NVHUCCJHXXVLFN-JXMROGBWSA-N 0 0 312.417 3.257 20 10 DGCDRN Oc1cc(Cl)ccc1CN1CCO[C@H](Cc2ccccc2)C1 ZINC001180349501 1099380840 /nfs/dbraw/zinc/38/08/40/1099380840.db2.gz MLCFUNDMQYVYTI-QGZVFWFLSA-N 0 0 317.816 3.489 20 10 DGCDRN COc1c(O)c(CN2c3ccccc3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001180480283 1099419726 /nfs/dbraw/zinc/41/97/26/1099419726.db2.gz ZNQZASQZWDSGGH-NSHDSACASA-N 0 0 314.341 3.260 20 10 DGCDRN Cn1c(=O)cc(-c2cccnc2N2CCCC2)c2ccccc21 ZINC001236134674 1099421686 /nfs/dbraw/zinc/42/16/86/1099421686.db2.gz AZBIYEYBJGMVAA-UHFFFAOYSA-N 0 0 305.381 3.201 20 10 DGCDRN CCOc1ncc(Cl)cc1-c1nc(C)nc2c1ccn2C ZINC001236493203 1099643481 /nfs/dbraw/zinc/64/34/81/1099643481.db2.gz XADYLLIMKDCQEL-UHFFFAOYSA-N 0 0 302.765 3.391 20 10 DGCDRN CC(C)Oc1cncc(-c2ccn(Cc3ccncc3)c(=O)c2)c1 ZINC001236522962 1099659126 /nfs/dbraw/zinc/65/91/26/1099659126.db2.gz GMTYJGIAZOHJMX-UHFFFAOYSA-N 0 0 321.380 3.141 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c1 ZINC001236662887 1099730234 /nfs/dbraw/zinc/73/02/34/1099730234.db2.gz IZXQRNPSCMDQET-TXEJJXNPSA-N 0 0 324.218 3.159 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c1 ZINC001236670099 1099735147 /nfs/dbraw/zinc/73/51/47/1099735147.db2.gz UMQFQGHPAGTKJQ-CNDDSTCGSA-N 0 0 314.198 3.110 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)Nc1cccc(Cl)c1F ZINC001188417046 1099758091 /nfs/dbraw/zinc/75/80/91/1099758091.db2.gz WLIXFNWPZRKSAB-UHFFFAOYSA-N 0 0 310.712 3.212 20 10 DGCDRN COc1cc(CN2CCC[C@@H]2CF)c(O)cc1Br ZINC001236751282 1099772746 /nfs/dbraw/zinc/77/27/46/1099772746.db2.gz SHZIHBGQQQTMOT-SNVBAGLBSA-N 0 0 318.186 3.097 20 10 DGCDRN C[C@H]1C[C@@H](CF)N(Cc2cc(O)c(Br)cc2O)C1 ZINC001236766484 1099775512 /nfs/dbraw/zinc/77/55/12/1099775512.db2.gz HJQVWDNUXFFPJL-WPRPVWTQSA-N 0 0 318.186 3.040 20 10 DGCDRN O=C1CCN(Cc2cc(Cl)c(Cl)cc2O)CC[C@H]1F ZINC001236794842 1099789900 /nfs/dbraw/zinc/78/99/00/1099789900.db2.gz VQXRMAFFOMUZAQ-LLVKDONJSA-N 0 0 306.164 3.202 20 10 DGCDRN COC(=O)C1CCN(Cc2cc(Cl)c(Cl)cc2O)CC1 ZINC001236790147 1099785961 /nfs/dbraw/zinc/78/59/61/1099785961.db2.gz LKSFYKKBZHIISH-UHFFFAOYSA-N 0 0 318.200 3.084 20 10 DGCDRN CCc1ccc(CN2CC[C@H]2N(C)C(=O)OC(C)(C)C)c(O)c1 ZINC001236791313 1099786982 /nfs/dbraw/zinc/78/69/82/1099786982.db2.gz GMTKSPIKIGLRAT-INIZCTEOSA-N 0 0 320.433 3.353 20 10 DGCDRN CCc1ccc(CN2CCCC[C@@H]2c2noc(C)n2)c(O)c1 ZINC001236793786 1099787114 /nfs/dbraw/zinc/78/71/14/1099787114.db2.gz FJJCUEOSDVLRNE-OAHLLOKOSA-N 0 0 301.390 3.373 20 10 DGCDRN COc1cc(O)c(CN2CCc3cc(O)ccc3C2)c(Cl)c1 ZINC001236794501 1099790011 /nfs/dbraw/zinc/79/00/11/1099790011.db2.gz ADIAWWQOFVXYNY-UHFFFAOYSA-N 0 0 319.788 3.318 20 10 DGCDRN CCOC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236797050 1099790204 /nfs/dbraw/zinc/79/02/04/1099790204.db2.gz UAGHXZNPYMXCTC-SECBINFHSA-N 0 0 318.200 3.084 20 10 DGCDRN CCc1ccc(CN2CC(C)(NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001236794393 1099791701 /nfs/dbraw/zinc/79/17/01/1099791701.db2.gz LOFNTEBYJOMDGJ-UHFFFAOYSA-N 0 0 320.433 3.054 20 10 DGCDRN Oc1cc(Cl)c(Cl)cc1CN1CCOC[C@@H]1C1CC1 ZINC001236800578 1099793382 /nfs/dbraw/zinc/79/33/82/1099793382.db2.gz WHIPNUZQCZQGKU-CYBMUJFWSA-N 0 0 302.201 3.310 20 10 DGCDRN COc1ccc(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)c([O-])c1Cl ZINC001236801383 1099796942 /nfs/dbraw/zinc/79/69/42/1099796942.db2.gz IICHUNVCTYOTGF-BXUZGUMPSA-N 0 0 311.809 3.055 20 10 DGCDRN COc1ccc(C[NH+]2CC3(C2)C[C@@H](F)CS3)c([O-])c1Cl ZINC001236805605 1099799853 /nfs/dbraw/zinc/79/98/53/1099799853.db2.gz BZYNACMGKYYHQP-SNVBAGLBSA-N 0 0 317.813 3.084 20 10 DGCDRN COc1cc(C)c(CN(C)Cc2cnc(Cl)s2)c(O)c1 ZINC001236807690 1099800937 /nfs/dbraw/zinc/80/09/37/1099800937.db2.gz JDLXVCILUXCCEE-UHFFFAOYSA-N 0 0 312.822 3.451 20 10 DGCDRN COc1cc(C)c(CN2CC(OCc3ccccc3)C2)c(O)c1 ZINC001236812293 1099802951 /nfs/dbraw/zinc/80/29/51/1099802951.db2.gz BQTHJOILCQPZKE-UHFFFAOYSA-N 0 0 313.397 3.110 20 10 DGCDRN Oc1cc2ccccc2cc1CN1CC2(C1)CC(F)(F)CO2 ZINC001236833884 1099819866 /nfs/dbraw/zinc/81/98/66/1099819866.db2.gz QTSRKJQLIIHDID-UHFFFAOYSA-N 0 0 305.324 3.155 20 10 DGCDRN CCCCN(CCCC)c1ccc(CN2CC[NH2+]C2)c(O)c1 ZINC001236851520 1099834508 /nfs/dbraw/zinc/83/45/08/1099834508.db2.gz UHEGISVGOWMLCS-UHFFFAOYSA-N 0 0 305.466 3.162 20 10 DGCDRN Clc1cc(N2CCOCC2)ccc1CN1CC2(CCC2)C1 ZINC001236921444 1099879834 /nfs/dbraw/zinc/87/98/34/1099879834.db2.gz HHRZEQUFRCFUSZ-UHFFFAOYSA-N 0 0 306.837 3.163 20 10 DGCDRN COC(=O)c1ccc(NCc2cc(F)c(F)cc2O)c(OC)c1 ZINC001205422962 1099946441 /nfs/dbraw/zinc/94/64/41/1099946441.db2.gz ACAJBYGERIYIOM-UHFFFAOYSA-N 0 0 323.295 3.078 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2Cl)CCC[C@@H]1O ZINC001237077557 1099957723 /nfs/dbraw/zinc/95/77/23/1099957723.db2.gz IQDATMLPEFALAA-SKDRFNHKSA-N 0 0 304.217 3.292 20 10 DGCDRN O=C1CCN(Cc2c(O)ccc(Cl)c2Cl)CC[C@H]1F ZINC001237078400 1099957912 /nfs/dbraw/zinc/95/79/12/1099957912.db2.gz RRWKSLUIBZEDEN-SNVBAGLBSA-N 0 0 306.164 3.202 20 10 DGCDRN Oc1ccc(Cl)c(Cl)c1CN1CCOCC12CCC2 ZINC001237084858 1099961445 /nfs/dbraw/zinc/96/14/45/1099961445.db2.gz PDOWUKLWKNVOQM-UHFFFAOYSA-N 0 0 302.201 3.454 20 10 DGCDRN Oc1ccc(F)c(Cl)c1CN1CCN(Cc2ccco2)CC1 ZINC001237123277 1099981256 /nfs/dbraw/zinc/98/12/56/1099981256.db2.gz BMRNFCVJOIMGIV-UHFFFAOYSA-N 0 0 324.783 3.096 20 10 DGCDRN CCN(CC[NH+]1CCCC1)Cc1c(O)ccc(F)c1Cl ZINC001237126094 1099985195 /nfs/dbraw/zinc/98/51/95/1099985195.db2.gz IQAXRZIUFYWRBG-UHFFFAOYSA-N 0 0 300.805 3.102 20 10 DGCDRN O=c1[nH]ccc2c1CC[N@@H+](Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001237143955 1099991413 /nfs/dbraw/zinc/99/14/13/1099991413.db2.gz NOEWIMZPDPFIKB-UHFFFAOYSA-N 0 0 324.302 3.070 20 10 DGCDRN COC(=O)[C@H](C(C)C)N(C)Cc1cc(C(F)(F)F)ccc1O ZINC001237141970 1099992920 /nfs/dbraw/zinc/99/29/20/1099992920.db2.gz DUBMMPQYXDSUDX-ZDUSSCGKSA-N 0 0 319.323 3.040 20 10 DGCDRN Cc1cc(C(=O)NCc2ccccc2O)c(-n2cccc2)s1 ZINC001189312742 1100020352 /nfs/dbraw/zinc/02/03/52/1100020352.db2.gz SYAQKEMONGYQHA-UHFFFAOYSA-N 0 0 312.394 3.483 20 10 DGCDRN COc1nc(Cl)ccc1CN(C)Cc1ccc(N(C)C)cc1 ZINC001237248697 1100048384 /nfs/dbraw/zinc/04/83/84/1100048384.db2.gz MTCUPKSTORHDFY-UHFFFAOYSA-N 0 0 319.836 3.442 20 10 DGCDRN Oc1cccc2c1CN(Cc1cnccc1Br)CC2 ZINC001237391871 1100106263 /nfs/dbraw/zinc/10/62/63/1100106263.db2.gz GRTXTXVLQLZPTA-UHFFFAOYSA-N 0 0 319.202 3.108 20 10 DGCDRN Cc1cccc(O)c1C[N@@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001237489867 1100141361 /nfs/dbraw/zinc/14/13/61/1100141361.db2.gz LSAYQPKIBNLZIJ-MRXNPFEDSA-N 0 0 301.361 3.493 20 10 DGCDRN Cc1cccc(O)c1CN1Cc2cc(Br)cnc2C1 ZINC001237488032 1100141442 /nfs/dbraw/zinc/14/14/42/1100141442.db2.gz PRCFKUAMKBKHAF-UHFFFAOYSA-N 0 0 319.202 3.374 20 10 DGCDRN COc1ccccc1O[C@H]1CC[N@H+](Cc2c(C)cccc2O)C1 ZINC001237490502 1100141470 /nfs/dbraw/zinc/14/14/70/1100141470.db2.gz VJSGOMQLWKNYRI-HNNXBMFYSA-N 0 0 313.397 3.363 20 10 DGCDRN CCCNC(=O)[C@@H]1CCCCN1Cc1cc(Cl)cc(C)c1O ZINC001237685513 1100213913 /nfs/dbraw/zinc/21/39/13/1100213913.db2.gz FAGFRMDNYOOYCP-HNNXBMFYSA-N 0 0 324.852 3.235 20 10 DGCDRN COC[C@@]12CCC[C@@H]1C[N@H+](Cc1cc(F)cc(Cl)c1[O-])C2 ZINC001237799915 1100251201 /nfs/dbraw/zinc/25/12/01/1100251201.db2.gz KBQSDGIIGCBAHO-WBMJQRKESA-N 0 0 313.800 3.433 20 10 DGCDRN [O-]c1c(Cl)cc(F)cc1C[NH+]1CCC(n2cccn2)CC1 ZINC001237804625 1100252195 /nfs/dbraw/zinc/25/21/95/1100252195.db2.gz FHSGYBVOILYDPQ-UHFFFAOYSA-N 0 0 309.772 3.218 20 10 DGCDRN CC1(C)C[N@H+](Cc2cc(F)cc(Cl)c2[O-])[C@@](C)(CO)C1 ZINC001237808169 1100253006 /nfs/dbraw/zinc/25/30/06/1100253006.db2.gz RQZOFVCRKAVFEJ-OAHLLOKOSA-N 0 0 301.789 3.168 20 10 DGCDRN CO[C@H]1CCC[C@@H]2C[N@H+](Cc3cc(F)cc(Cl)c3[O-])C[C@@H]21 ZINC001237815488 1100255546 /nfs/dbraw/zinc/25/55/46/1100255546.db2.gz YVAYRGHGGSWUEC-DGFSRKRXSA-N 0 0 313.800 3.432 20 10 DGCDRN CCCCC[NH+]1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237815117 1100256317 /nfs/dbraw/zinc/25/63/17/1100256317.db2.gz VYUHMEDHSVBEGH-UHFFFAOYSA-N 0 0 314.832 3.493 20 10 DGCDRN O=S(=O)(Nc1ccc(O)cc1F)c1ccc(C2CC2)cc1 ZINC001190501033 1100281135 /nfs/dbraw/zinc/28/11/35/1100281135.db2.gz UWVSNBXMTUBNHB-UHFFFAOYSA-N 0 0 307.346 3.210 20 10 DGCDRN C[C@]1(CO)CCC[N@H+](Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237935760 1100296299 /nfs/dbraw/zinc/29/62/99/1100296299.db2.gz YQPRWFVHXMUZDV-HNNXBMFYSA-N 0 0 301.789 3.169 20 10 DGCDRN Cc1cc(F)cc(CN2CC(Oc3ccccc3F)C2)c1O ZINC001238071312 1100350158 /nfs/dbraw/zinc/35/01/58/1100350158.db2.gz VLZDQMKWBGTIQJ-UHFFFAOYSA-N 0 0 305.324 3.242 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2cncc(C(F)(F)F)c2)c(O)c1 ZINC001190941752 1100363117 /nfs/dbraw/zinc/36/31/17/1100363117.db2.gz ZBTYXTQOIXZGGV-UHFFFAOYSA-N 0 0 324.302 3.353 20 10 DGCDRN Cc1cc(NC(=O)NCc2ccc(O)c(O)c2)ccc1Cl ZINC001191779348 1100518449 /nfs/dbraw/zinc/51/84/49/1100518449.db2.gz SZHLEAUGZBMBBR-UHFFFAOYSA-N 0 0 306.749 3.381 20 10 DGCDRN CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(O)c(C)c1 ZINC001191820617 1100527527 /nfs/dbraw/zinc/52/75/27/1100527527.db2.gz CZJZZWONQCDSPX-UHFFFAOYSA-N 0 0 321.398 3.209 20 10 DGCDRN Cc1cc(-c2ccc3ncc(=O)n(C)c3c2)cnc1OCC(C)C ZINC001238924122 1100558076 /nfs/dbraw/zinc/55/80/76/1100558076.db2.gz WBFJCXAPHLDGAG-UHFFFAOYSA-N 0 0 323.396 3.339 20 10 DGCDRN CCC(CC)CC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001278289168 1100590579 /nfs/dbraw/zinc/59/05/79/1100590579.db2.gz VKJXWUFKZQPLDR-UHFFFAOYSA-N 0 0 306.450 3.416 20 10 DGCDRN Cn1cc(-c2ccn(Cc3ccccn3)c(=O)c2)c2ccccc21 ZINC001239541190 1100686186 /nfs/dbraw/zinc/68/61/86/1100686186.db2.gz DSWHKYNALPTUOT-UHFFFAOYSA-N 0 0 315.376 3.450 20 10 DGCDRN COc1cc(C(=O)N[C@H]2C[C@H](C)CC(C)(C)C2)cc(O)c1O ZINC001193113755 1100708265 /nfs/dbraw/zinc/70/82/65/1100708265.db2.gz BCHUYWQTGQBENM-JQWIXIFHSA-N 0 0 307.390 3.051 20 10 DGCDRN Cc1nc2c(cccc2NC(=O)c2ccc(O)c(O)c2Cl)o1 ZINC001193232366 1100719489 /nfs/dbraw/zinc/71/94/89/1100719489.db2.gz IRKANGQYIHDKMD-UHFFFAOYSA-N 0 0 318.716 3.453 20 10 DGCDRN O=C(NCc1cccc2cc[nH]c21)c1ccc(O)c(O)c1Cl ZINC001193246848 1100720689 /nfs/dbraw/zinc/72/06/89/1100720689.db2.gz CVPNVPDYTDRCIH-UHFFFAOYSA-N 0 0 316.744 3.163 20 10 DGCDRN CCCCCNC(=O)NCc1ccc(Br)cc1O ZINC001193356001 1100731973 /nfs/dbraw/zinc/73/19/73/1100731973.db2.gz GMDRGCGBMXOMFO-UHFFFAOYSA-N 0 0 315.211 3.144 20 10 DGCDRN COCCn1ccc2c1ncnc2-c1cnc2ccccc2c1 ZINC001239791167 1100757163 /nfs/dbraw/zinc/75/71/63/1100757163.db2.gz CPZHCGFLDBTHOX-UHFFFAOYSA-N 0 0 304.353 3.293 20 10 DGCDRN O=C(NCc1ccccc1O)c1cc(-c2ccccc2)c[nH]c1=O ZINC001194219908 1100896839 /nfs/dbraw/zinc/89/68/39/1100896839.db2.gz URQJLUWXYOUFJZ-UHFFFAOYSA-N 0 0 320.348 3.090 20 10 DGCDRN CC[C@H](C)COC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC001194789081 1101002962 /nfs/dbraw/zinc/00/29/62/1101002962.db2.gz YUHCBNYQPLWVHY-HNNXBMFYSA-N 0 0 320.433 3.138 20 10 DGCDRN CCOC(=O)c1c[nH]c2c1ncnc2-c1ccc2ccn(C)c2c1 ZINC001240571480 1101054762 /nfs/dbraw/zinc/05/47/62/1101054762.db2.gz YEEQCOYXGPKQNA-UHFFFAOYSA-N 0 0 320.352 3.293 20 10 DGCDRN Cc1c(C)c(NS(=O)(=O)CC[Si](C)(C)C)ccc1O ZINC001195074208 1101064148 /nfs/dbraw/zinc/06/41/48/1101064148.db2.gz YBTAKWQYWBPNBB-UHFFFAOYSA-N 0 0 301.484 3.089 20 10 DGCDRN CC(C)Cn1ccc(-c2cnn([C@@H]3CCCCO3)c2)cc1=O ZINC001240679776 1101094605 /nfs/dbraw/zinc/09/46/05/1101094605.db2.gz HGBNAQVAXIVDKT-KRWDZBQOSA-N 0 0 301.390 3.067 20 10 DGCDRN O=c1cc(-c2cnc(C3CC3)nc2)ccn1Cc1ccc(F)cc1 ZINC001240686567 1101096944 /nfs/dbraw/zinc/09/69/44/1101096944.db2.gz DWJYRQNZZZOTJN-UHFFFAOYSA-N 0 0 321.355 3.370 20 10 DGCDRN Nc1nonc1NC(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195262684 1101107872 /nfs/dbraw/zinc/10/78/72/1101107872.db2.gz SKMBJNGBMLMPTE-VHEBQXMUSA-N 0 0 324.300 3.025 20 10 DGCDRN CCO[C@@H](C)n1cc(-c2ccn(Cc3ccccc3)c(=O)c2)cn1 ZINC001240758412 1101125048 /nfs/dbraw/zinc/12/50/48/1101125048.db2.gz HAYNWPCMIBMMFF-HNNXBMFYSA-N 0 0 323.396 3.315 20 10 DGCDRN Cc1cc(F)ccc1NC(=S)NCc1ccc(O)cc1O ZINC001196143571 1101256038 /nfs/dbraw/zinc/25/60/38/1101256038.db2.gz VILSNRVZZXNWGG-UHFFFAOYSA-N 0 0 306.362 3.032 20 10 DGCDRN CC(=O)c1ccc(NC(=S)NCc2nc(C)ccc2F)cc1 ZINC001196577977 1101348677 /nfs/dbraw/zinc/34/86/77/1101348677.db2.gz UWBKIOUJNCUOPP-UHFFFAOYSA-N 0 0 317.389 3.218 20 10 DGCDRN Cc1c(F)ccc(F)c1C(=O)N1CCc2cccc(O)c2C1 ZINC001196732942 1101378181 /nfs/dbraw/zinc/37/81/81/1101378181.db2.gz BUYOPJQALBJQGU-UHFFFAOYSA-N 0 0 303.308 3.177 20 10 DGCDRN COC(=O)c1cc(C2=CCN(c3ccccc3)CC2)cnc1OC ZINC001241352454 1101397595 /nfs/dbraw/zinc/39/75/95/1101397595.db2.gz VLHKVFOPYJTHDG-UHFFFAOYSA-N 0 0 324.380 3.171 20 10 DGCDRN COCCOc1ccc(C2=CCN(c3ccccc3)CC2)cn1 ZINC001241354264 1101397696 /nfs/dbraw/zinc/39/76/96/1101397696.db2.gz GWVDTJJCIUUTND-UHFFFAOYSA-N 0 0 310.397 3.401 20 10 DGCDRN COC(=O)c1cc(C2=CCN(c3ccccc3)CC2)cnc1C ZINC001241354358 1101398735 /nfs/dbraw/zinc/39/87/35/1101398735.db2.gz AHCSIBQIFPILSA-UHFFFAOYSA-N 0 0 308.381 3.470 20 10 DGCDRN CCOc1cccc(CNC(=S)Nc2ccc(F)cc2)n1 ZINC001196966804 1101433844 /nfs/dbraw/zinc/43/38/44/1101433844.db2.gz JTPMZZYNFQRJMH-UHFFFAOYSA-N 0 0 305.378 3.106 20 10 DGCDRN CC(C)Oc1ccnc(CNC(=S)Nc2ccc(F)cc2)c1 ZINC001196964271 1101447754 /nfs/dbraw/zinc/44/77/54/1101447754.db2.gz OLHNLTJINZLHMW-UHFFFAOYSA-N 0 0 319.405 3.495 20 10 DGCDRN Oc1ccc(CN(Cc2ccccn2)Cc2ccccn2)cc1O ZINC001203873266 1101500358 /nfs/dbraw/zinc/50/03/58/1101500358.db2.gz AJBYLPUQDVMCPN-UHFFFAOYSA-N 0 0 321.380 3.090 20 10 DGCDRN C[C@H]1CC[C@H](C[NH3+])N(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001205804632 1101561715 /nfs/dbraw/zinc/56/17/15/1101561715.db2.gz NZPLBTOGHMRPNN-JOYOIKCWSA-N 0 0 303.233 3.258 20 10 DGCDRN CSc1ccc(-c2ccn(CC(F)(F)F)c(=O)c2)cn1 ZINC001241637540 1101597683 /nfs/dbraw/zinc/59/76/83/1101597683.db2.gz ZOXMPXOOIBZQAO-UHFFFAOYSA-N 0 0 300.305 3.195 20 10 DGCDRN Cn1c2cc(-c3cnc(N)cc3C(F)(F)F)ccc2ccc1=O ZINC001241684377 1101634761 /nfs/dbraw/zinc/63/47/61/1101634761.db2.gz HYTRTSSPPCPOMJ-UHFFFAOYSA-N 0 0 319.286 3.202 20 10 DGCDRN CCOc1ccc(-c2ccn(Cc3ccc(F)cc3)c(=O)c2)cn1 ZINC001241705828 1101650257 /nfs/dbraw/zinc/65/02/57/1101650257.db2.gz GYLVGBXIONYENS-UHFFFAOYSA-N 0 0 324.355 3.496 20 10 DGCDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1ccccc1O ZINC001197822976 1101683962 /nfs/dbraw/zinc/68/39/62/1101683962.db2.gz CODXURYNEZFUQW-LLVKDONJSA-N 0 0 315.329 3.492 20 10 DGCDRN CSc1ncc2ncnc(-c3cccc4c3ccn4C)c2n1 ZINC001241819169 1101725708 /nfs/dbraw/zinc/72/57/08/1101725708.db2.gz DZGKHHWQQPLEGI-UHFFFAOYSA-N 0 0 307.382 3.300 20 10 DGCDRN Cc1ccc(NC(=S)NCc2ncc(F)cc2F)c(C)c1 ZINC001198012964 1101729286 /nfs/dbraw/zinc/72/92/86/1101729286.db2.gz RLNIOOHICXWELD-UHFFFAOYSA-N 0 0 307.369 3.463 20 10 DGCDRN O=c1ccc(-c2ncnc3c2ccn3Cc2ccc(F)cc2)c[nH]1 ZINC001242061202 1101888316 /nfs/dbraw/zinc/88/83/16/1101888316.db2.gz RNGBOZMZBDORHD-UHFFFAOYSA-N 0 0 320.327 3.386 20 10 DGCDRN Cc1cccc(CNC(=S)Nc2ccc(N(C)C)cc2)c1O ZINC001198785523 1101975050 /nfs/dbraw/zinc/97/50/50/1101975050.db2.gz AJFQITCGSDMKNZ-UHFFFAOYSA-N 0 0 315.442 3.253 20 10 DGCDRN O=C(c1ccc2c(c1)CCC2)N1CCCc2cc(O)c(O)cc2C1 ZINC001198774307 1101983678 /nfs/dbraw/zinc/98/36/78/1101983678.db2.gz GFLUURZLUSUULY-UHFFFAOYSA-N 0 0 323.392 3.175 20 10 DGCDRN Cn1ccc2cccc(C(=O)N3CCc4cccc(O)c4C3)c21 ZINC001199008609 1102049910 /nfs/dbraw/zinc/04/99/10/1102049910.db2.gz VHDCDSWKFJHVIN-UHFFFAOYSA-N 0 0 306.365 3.082 20 10 DGCDRN COC(=O)c1cc2ccc(-c3ccc(C(C)=O)nc3)cc2n1C ZINC001242401018 1102106305 /nfs/dbraw/zinc/10/63/05/1102106305.db2.gz JIGGKIMODHIIGY-UHFFFAOYSA-N 0 0 308.337 3.230 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1cccc([N+](=O)[O-])c1 ZINC001199414261 1102136784 /nfs/dbraw/zinc/13/67/84/1102136784.db2.gz WYVJJGWVYAODNT-SECBINFHSA-N 0 0 308.284 3.429 20 10 DGCDRN COc1ncc(Cl)cc1-c1ccc2ccc(=O)n(C)c2c1 ZINC001242509537 1102178708 /nfs/dbraw/zinc/17/87/08/1102178708.db2.gz MLTKWDWOFCBNJJ-UHFFFAOYSA-N 0 0 300.745 3.263 20 10 DGCDRN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001199678584 1102181102 /nfs/dbraw/zinc/18/11/02/1102181102.db2.gz ORDUXJGIOKVSKK-XQQFMLRXSA-N 0 0 312.404 3.126 20 10 DGCDRN CN(C)c1cncc(-c2ccn(Cc3ccccc3F)c(=O)c2)c1 ZINC001242529029 1102190367 /nfs/dbraw/zinc/19/03/67/1102190367.db2.gz RMPRLYYTDTVGFT-UHFFFAOYSA-N 0 0 323.371 3.164 20 10 DGCDRN C[C@H]1CCCN(C(C)(C)C[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC001199743158 1102202616 /nfs/dbraw/zinc/20/26/16/1102202616.db2.gz QTVVBQJUBUVWGY-LBPRGKRZSA-N 0 0 312.404 3.271 20 10 DGCDRN C[C@@H]1CCCN(C(C)(C)C[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC001199743155 1102203167 /nfs/dbraw/zinc/20/31/67/1102203167.db2.gz QTVVBQJUBUVWGY-GFCCVEGCSA-N 0 0 312.404 3.271 20 10 DGCDRN Cn1ccc2c1cccc2-c1cnn(CC(=O)OC(C)(C)C)c1 ZINC001242788756 1102343791 /nfs/dbraw/zinc/34/37/91/1102343791.db2.gz FARBVADEDRXCMS-UHFFFAOYSA-N 0 0 311.385 3.384 20 10 DGCDRN Fc1ccc(NC(=S)NCc2cc(Cl)ccn2)c(F)c1 ZINC001200923807 1102438731 /nfs/dbraw/zinc/43/87/31/1102438731.db2.gz UZOHLHWYPVLNNB-UHFFFAOYSA-N 0 0 313.760 3.500 20 10 DGCDRN CCc1ccccc1NC(=S)NCc1cc(OC)ccn1 ZINC001201152676 1102501832 /nfs/dbraw/zinc/50/18/32/1102501832.db2.gz PACMOZMTVFWYKL-UHFFFAOYSA-N 0 0 301.415 3.139 20 10 DGCDRN COc1ccc(CNC(=S)Nc2ccc(SC)cc2)nc1 ZINC001201193419 1102513437 /nfs/dbraw/zinc/51/34/37/1102513437.db2.gz QLOZBUCUCMKXHH-UHFFFAOYSA-N 0 0 319.455 3.299 20 10 DGCDRN CCOc1ccc(-c2nc(C)nc3c2ccn3C)c(OCC)n1 ZINC001243153098 1102558015 /nfs/dbraw/zinc/55/80/15/1102558015.db2.gz TVADLCWZJLZTBD-UHFFFAOYSA-N 0 0 312.373 3.136 20 10 DGCDRN CSc1ccc(-c2ccn(Cc3ccccn3)c(=O)c2)c(C)n1 ZINC001243594043 1102837169 /nfs/dbraw/zinc/83/71/69/1102837169.db2.gz QWZLKZZQSVMNNK-UHFFFAOYSA-N 0 0 323.421 3.384 20 10 DGCDRN Cc1c(C)n(Cc2ccco2)c2ncnc(C3=CNCCC3)c12 ZINC001243948893 1103077278 /nfs/dbraw/zinc/07/72/78/1103077278.db2.gz ONLGIGRFBGEWGI-UHFFFAOYSA-N 0 0 308.385 3.414 20 10 DGCDRN CC(C)n1ncc2c1[C@H](NC(=O)Nc1ccc(N)cc1)CCC2 ZINC001326087886 1103203494 /nfs/dbraw/zinc/20/34/94/1103203494.db2.gz FLRVDFJSGQNXRF-OAHLLOKOSA-N 0 0 313.405 3.245 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]23CCOC3)cc1 ZINC001326242424 1103244907 /nfs/dbraw/zinc/24/49/07/1103244907.db2.gz JHVFPSJJKQTXMA-IBGZPJMESA-N 0 0 310.397 3.099 20 10 DGCDRN CCOC(=O)c1cnc(S[C@H](C)C(=O)OC(C)(C)C)s1 ZINC001327660394 1103316969 /nfs/dbraw/zinc/31/69/69/1103316969.db2.gz IVIPGTTVYYNCSM-MRVPVSSYSA-N 0 0 317.432 3.142 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CC[C@H]2C)cc1 ZINC001326882383 1103469643 /nfs/dbraw/zinc/46/96/43/1103469643.db2.gz LBYKLOYMJQUXCD-PBHICJAKSA-N 0 0 303.450 3.473 20 10 DGCDRN CCN(CC)c1ccc(CNC(=S)NCC2CCC2)cc1F ZINC001327152871 1103556805 /nfs/dbraw/zinc/55/68/05/1103556805.db2.gz JMRMETUWZYEJNK-UHFFFAOYSA-N 0 0 323.481 3.436 20 10 DGCDRN COC(=O)Cc1cccc(NCc2cc(Cl)c(C)cc2O)n1 ZINC001327825055 1103732450 /nfs/dbraw/zinc/73/24/50/1103732450.db2.gz WLTHVWIGQXELBI-UHFFFAOYSA-N 0 0 320.776 3.077 20 10 DGCDRN Cc1cc2c(cccc2-c2cncc(CN3CCOCC3)c2)n1C ZINC001245249454 1103936229 /nfs/dbraw/zinc/93/62/29/1103936229.db2.gz DKTBFWCXXBNROO-UHFFFAOYSA-N 0 0 321.424 3.381 20 10 DGCDRN CCOC(=O)c1cc(CN(C)c2ccc(OC(C)C)cc2)[nH]n1 ZINC001328511074 1103973253 /nfs/dbraw/zinc/97/32/53/1103973253.db2.gz FLVGGKLTFVCING-UHFFFAOYSA-N 0 0 317.389 3.010 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCC(Nc2ccccc2)CC1 ZINC001328655245 1104013309 /nfs/dbraw/zinc/01/33/09/1104013309.db2.gz KXZOOJALANHCEV-UHFFFAOYSA-N 0 0 302.399 3.170 20 10 DGCDRN C[C@@H](NC(=O)c1cccc2c1COCC2)c1ccc(N(C)C)cc1 ZINC001328667103 1104015620 /nfs/dbraw/zinc/01/56/20/1104015620.db2.gz RGGUJHZEPLBOCU-CQSZACIVSA-N 0 0 324.424 3.316 20 10 DGCDRN COc1ccc(NC(=O)N2CCc3cccc(O)c3C2)c(C)c1 ZINC001202722402 1104139394 /nfs/dbraw/zinc/13/93/94/1104139394.db2.gz GRRVPEDXMAVHTK-UHFFFAOYSA-N 0 0 312.369 3.299 20 10 DGCDRN Cc1cc(NCc2cc(F)cc(F)c2O)ccc1C(=O)N(C)C ZINC001202723866 1104142253 /nfs/dbraw/zinc/14/22/53/1104142253.db2.gz NRHDIUBLVRRSGM-UHFFFAOYSA-N 0 0 320.339 3.293 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NOC2CCC2)c1 ZINC001329107795 1104156367 /nfs/dbraw/zinc/15/63/67/1104156367.db2.gz LPSXNVFZTCLNMS-UHFFFAOYSA-N 0 0 312.369 3.121 20 10 DGCDRN CC(C)n1ncc2c1[C@H](NC(=O)C1=CC(=O)CS1)CCC2 ZINC001329211740 1104189931 /nfs/dbraw/zinc/18/99/31/1104189931.db2.gz YVVCUWAVFFBZAK-GFCCVEGCSA-N 0 0 305.403 3.039 20 10 DGCDRN CN(C)c1cc(F)c(CNc2cccc([S@](C)=O)c2)cc1F ZINC001329722691 1104372487 /nfs/dbraw/zinc/37/24/87/1104372487.db2.gz NVUMCESZBGCJPY-QFIPXVFZSA-N 0 0 324.396 3.380 20 10 DGCDRN NC(=O)c1ccc(NCc2ccc(N3CCCC3)cc2)cc1F ZINC001330057895 1104467272 /nfs/dbraw/zinc/46/72/72/1104467272.db2.gz KYQNWAMPUVEAMD-UHFFFAOYSA-N 0 0 313.376 3.137 20 10 DGCDRN O=C(CC(C1CC1)C1CC1)NCc1ccc2cccnc2c1O ZINC001330071845 1104471747 /nfs/dbraw/zinc/47/17/47/1104471747.db2.gz REBXQLZNIKJKJP-UHFFFAOYSA-N 0 0 310.397 3.383 20 10 DGCDRN CCOc1ccc(N2CC[C@@]3(CCN([C@H](C)CC)C3=O)C2)cc1 ZINC001274790495 1104490509 /nfs/dbraw/zinc/49/05/09/1104490509.db2.gz JHYZHEULYBUXOE-DNVCBOLYSA-N 0 0 316.445 3.313 20 10 DGCDRN COc1ccc(N2CCC3(CC2)c2ccccc2N(C)C3=O)cc1 ZINC001274791291 1104491562 /nfs/dbraw/zinc/49/15/62/1104491562.db2.gz RTEZUHDWBWHMTA-UHFFFAOYSA-N 0 0 322.408 3.210 20 10 DGCDRN CCCCN1CC[C@]2(CCCN2c2ccc(OCC)cc2)C1=O ZINC001274793765 1104499883 /nfs/dbraw/zinc/49/98/83/1104499883.db2.gz JSTHMLQIXWTYBT-LJQANCHMSA-N 0 0 316.445 3.457 20 10 DGCDRN CSCCCNC(=S)NCc1cc2ccccc2cc1O ZINC001247910230 1105010790 /nfs/dbraw/zinc/01/07/90/1105010790.db2.gz WKQNVADOHRLAKP-UHFFFAOYSA-N 0 0 320.483 3.263 20 10 DGCDRN Oc1ccc(Cc2nc(-c3ccc(OC4CC4)cc3)no2)cc1O ZINC001247959188 1105021646 /nfs/dbraw/zinc/02/16/46/1105021646.db2.gz LNZHMWFWHLECGM-UHFFFAOYSA-N 0 0 324.336 3.280 20 10 DGCDRN COc1cc(C)ccc1-c1noc(Cc2ccc(O)c(O)c2)n1 ZINC001247958757 1105021660 /nfs/dbraw/zinc/02/16/60/1105021660.db2.gz BXKQHRVIGPGDPQ-UHFFFAOYSA-N 0 0 312.325 3.056 20 10 DGCDRN CCc1cc(-c2noc(Cc3ccc(O)c(O)c3)n2)ccc1F ZINC001247959783 1105021705 /nfs/dbraw/zinc/02/17/05/1105021705.db2.gz XMNCPIXPGXUXGK-UHFFFAOYSA-N 0 0 314.316 3.440 20 10 DGCDRN Cc1cc(F)c(F)cc1-c1noc(Cc2ccc(O)c(O)c2)n1 ZINC001247959781 1105021712 /nfs/dbraw/zinc/02/17/12/1105021712.db2.gz XKYJRBJKEOOTGC-UHFFFAOYSA-N 0 0 318.279 3.325 20 10 DGCDRN Cc1noc2ccc(-c3noc(Cc4ccc(N)cc4)n3)cc12 ZINC001248183717 1105062421 /nfs/dbraw/zinc/06/24/21/1105062421.db2.gz LOAYJOZILAKIKK-UHFFFAOYSA-N 0 0 306.325 3.359 20 10 DGCDRN COc1c(F)ccc(-c2noc(Cc3ccc(N)cc3)n2)c1F ZINC001248184561 1105062447 /nfs/dbraw/zinc/06/24/47/1105062447.db2.gz YYSIKCZGJAGIQS-UHFFFAOYSA-N 0 0 317.295 3.196 20 10 DGCDRN Nc1ccc(Cc2nc(-c3ccc(OC4CC4)cc3)no2)cc1 ZINC001248183058 1105062943 /nfs/dbraw/zinc/06/29/43/1105062943.db2.gz CDXNLEHLWPKHAZ-UHFFFAOYSA-N 0 0 307.353 3.451 20 10 DGCDRN Fc1ccc(F)c(NC(=S)NCc2cc(Cl)ccn2)c1 ZINC001248543143 1105125602 /nfs/dbraw/zinc/12/56/02/1105125602.db2.gz CHSMDBQWKZKYFR-UHFFFAOYSA-N 0 0 313.760 3.500 20 10 DGCDRN CC(=O)N1CCN(Cc2cc(Cl)c(C(C)(C)C)cc2O)CC1 ZINC001248881267 1105185910 /nfs/dbraw/zinc/18/59/10/1105185910.db2.gz VRGHQFJXFDBDMM-UHFFFAOYSA-N 0 0 324.852 3.007 20 10 DGCDRN Cc1cc(C)nc(CN(C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001248965878 1105206545 /nfs/dbraw/zinc/20/65/45/1105206545.db2.gz MMFTUOBPRUWOTG-UHFFFAOYSA-N 0 0 310.445 3.326 20 10 DGCDRN Cc1cc(Cc2ccc(N(C)C)cc2)ccc1N1CCOCC1 ZINC001250434200 1105514752 /nfs/dbraw/zinc/51/47/52/1105514752.db2.gz ISKKPHFERDMYPT-UHFFFAOYSA-N 0 0 310.441 3.488 20 10 DGCDRN COCCCn1c2cccc(F)c2nc1-c1ccc(O)c(O)c1 ZINC001250465082 1105518486 /nfs/dbraw/zinc/51/84/86/1105518486.db2.gz XJKKHWHLWMYZQK-UHFFFAOYSA-N 0 0 316.332 3.290 20 10 DGCDRN COc1cc(-c2nc3c(cc(Cl)cc3F)[nH]2)cc(O)c1O ZINC001250488840 1105523455 /nfs/dbraw/zinc/52/34/55/1105523455.db2.gz PFWAXXJCXLJNTI-UHFFFAOYSA-N 0 0 308.696 3.442 20 10 DGCDRN CCn1c2cc(OC)ccc2nc1-c1cc(O)c(O)c(OC)c1 ZINC001250488484 1105524113 /nfs/dbraw/zinc/52/41/13/1105524113.db2.gz IIPQXYLHOUVDJZ-UHFFFAOYSA-N 0 0 314.341 3.152 20 10 DGCDRN Cc1cccc(Cl)c1C(=O)NCCc1ccc(O)c(O)c1 ZINC001137464603 1105526481 /nfs/dbraw/zinc/52/64/81/1105526481.db2.gz HOQRHEQVAVWKBN-UHFFFAOYSA-N 0 0 305.761 3.032 20 10 DGCDRN COc1cccc(CNC(=O)c2[nH]ccc2-c2ccccc2)c1O ZINC001137473882 1105529356 /nfs/dbraw/zinc/52/93/56/1105529356.db2.gz ZRMQXZNWDKZIPU-UHFFFAOYSA-N 0 0 322.364 3.326 20 10 DGCDRN O=C(NCc1coc2ccccc12)N1Cc2cccc(O)c2C1 ZINC001251327048 1105649918 /nfs/dbraw/zinc/64/99/18/1105649918.db2.gz HOLKULMMVJZFEA-UHFFFAOYSA-N 0 0 308.337 3.364 20 10 DGCDRN Oc1cc(O)c(-c2nc3c(cccc3C(F)(F)F)[nH]2)cc1O ZINC001251355265 1105652757 /nfs/dbraw/zinc/65/27/57/1105652757.db2.gz BCDATYCNUKGMRU-UHFFFAOYSA-N 0 0 310.231 3.366 20 10 DGCDRN Cn1c2ccc(C(F)(F)F)cc2nc1-c1cc(O)c(O)cc1O ZINC001251355415 1105652768 /nfs/dbraw/zinc/65/27/68/1105652768.db2.gz KAACCOFYWLLLFA-UHFFFAOYSA-N 0 0 324.258 3.376 20 10 DGCDRN COc1cccc(-c2nnc(-c3ccc(O)c(O)c3Cl)o2)c1 ZINC001253356076 1105927138 /nfs/dbraw/zinc/92/71/38/1105927138.db2.gz DENSBQMKGHZGNR-UHFFFAOYSA-N 0 0 318.716 3.477 20 10 DGCDRN CC(C)(C)OC[C@@H](O)CNc1ccccc1OCC(F)(F)F ZINC001253467053 1105943271 /nfs/dbraw/zinc/94/32/71/1105943271.db2.gz KWVXQDMATUUTPX-NSHDSACASA-N 0 0 321.339 3.216 20 10 DGCDRN CC(C)[C@H](O)CNc1ccc(Cl)cc1C(=O)c1ccccn1 ZINC001253772940 1105983839 /nfs/dbraw/zinc/98/38/39/1105983839.db2.gz CDTCNCYLATWMNF-MRXNPFEDSA-N 0 0 318.804 3.395 20 10 DGCDRN Nc1ccc(-n2cc(-c3ccc(Br)s3)nn2)cc1 ZINC001254080759 1106015434 /nfs/dbraw/zinc/01/54/34/1106015434.db2.gz SAJDVFCIQACPBP-UHFFFAOYSA-N 0 0 321.203 3.341 20 10 DGCDRN Nc1ccc(CCn2cc(-c3ccnc4ccccc43)nn2)cc1 ZINC001254081070 1106015586 /nfs/dbraw/zinc/01/55/86/1106015586.db2.gz JZLQMROYQNKVSE-UHFFFAOYSA-N 0 0 315.380 3.318 20 10 DGCDRN O=S(=O)(Nc1ccc(O)c(F)c1)c1ccc(F)c(Cl)c1 ZINC001254942039 1106157700 /nfs/dbraw/zinc/15/77/00/1106157700.db2.gz VUHXGETVKNSREZ-UHFFFAOYSA-N 0 0 319.716 3.125 20 10 DGCDRN CCCCCCc1nnc([C@H](O)c2ccc(N(C)C)cc2)o1 ZINC001256375806 1106413632 /nfs/dbraw/zinc/41/36/32/1106413632.db2.gz WOCOAHWBLKXJSZ-MRXNPFEDSA-N 0 0 303.406 3.340 20 10 DGCDRN OC[C@@H](c1nnc(-c2ccc(-n3cccc3)cc2)o1)C(F)(F)F ZINC001256965488 1106517613 /nfs/dbraw/zinc/51/76/13/1106517613.db2.gz CWAUHXDIHVXNTB-LBPRGKRZSA-N 0 0 323.274 3.166 20 10 DGCDRN Cc1c(=O)cc[nH]c1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256981453 1106520352 /nfs/dbraw/zinc/52/03/52/1106520352.db2.gz NRJYKQGDPQVHLN-UHFFFAOYSA-N 0 0 318.336 3.191 20 10 DGCDRN Cc1[nH]nc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)c1F ZINC001256987661 1106521838 /nfs/dbraw/zinc/52/18/38/1106521838.db2.gz GTOOQJTYYHSIJZ-UHFFFAOYSA-N 0 0 309.304 3.365 20 10 DGCDRN O=[N+]([O-])c1ccccc1NNC(=S)Nc1cccc(F)c1F ZINC001320114550 1106880413 /nfs/dbraw/zinc/88/04/13/1106880413.db2.gz AGAHFFAVGRCZGM-UHFFFAOYSA-N 0 0 324.312 3.187 20 10 DGCDRN COc1ccc(O)c([C@@H](C)Nc2cnn(Cc3cccnc3)c2)c1 ZINC001320129723 1106890896 /nfs/dbraw/zinc/89/08/96/1106890896.db2.gz GDXIAQQTJAAMIN-CYBMUJFWSA-N 0 0 324.384 3.214 20 10 DGCDRN Cc1ccc(-c2nnc(Cc3ccc(O)c(O)c3)o2)cc1F ZINC001258748033 1106950382 /nfs/dbraw/zinc/95/03/82/1106950382.db2.gz KYIUNRRONMKOMQ-UHFFFAOYSA-N 0 0 300.289 3.186 20 10 DGCDRN COC(=O)/C=C/c1ccc(N2CC3CCC2CC3)c([N+](=O)[O-])c1 ZINC001320558009 1107053481 /nfs/dbraw/zinc/05/34/81/1107053481.db2.gz UEEDBBJIPKIECC-WEVVVXLNSA-N 0 0 316.357 3.160 20 10 DGCDRN Cc1ccc(CS(=O)(=O)Nc2ccc(O)c(C)c2C)cc1 ZINC001259264995 1107111290 /nfs/dbraw/zinc/11/12/90/1107111290.db2.gz ZIMCIPDOLIMDPK-UHFFFAOYSA-N 0 0 305.399 3.259 20 10 DGCDRN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(O)c(C)c1C ZINC001259490304 1107150941 /nfs/dbraw/zinc/15/09/41/1107150941.db2.gz IVPCGRSRMLDLSD-UHFFFAOYSA-N 0 0 309.362 3.257 20 10 DGCDRN CN(Cc1cc(F)cc(F)c1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001320917350 1107186794 /nfs/dbraw/zinc/18/67/94/1107186794.db2.gz ICIFKHSMCBCOAK-HWKANZROSA-N 0 0 319.307 3.048 20 10 DGCDRN CC(=O)Nc1ccc(N[C@H](C)c2cc(F)cc(F)c2O)nc1 ZINC001321037572 1107230274 /nfs/dbraw/zinc/23/02/74/1107230274.db2.gz NXWZVMYVCASLCP-MRVPVSSYSA-N 0 0 307.300 3.197 20 10 DGCDRN CCOC(=O)[C@@H](NCc1ccc(N2CCCC2)cc1)C(C)(C)C ZINC001321230122 1107295284 /nfs/dbraw/zinc/29/52/84/1107295284.db2.gz XQTKSPVRMRMESC-QGZVFWFLSA-N 0 0 318.461 3.354 20 10 DGCDRN CCN(CC)c1ccc(CN(C)Cc2nc(C3CC3)no2)cc1 ZINC001321578427 1107386396 /nfs/dbraw/zinc/38/63/96/1107386396.db2.gz CJWACSQBTGQVIJ-UHFFFAOYSA-N 0 0 314.433 3.425 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N[C@@H]3CCC[C@@H](F)C3)ccc21 ZINC001261452201 1107437986 /nfs/dbraw/zinc/43/79/86/1107437986.db2.gz WLYYYPOSFRGUOE-HZPDHXFCSA-N 0 0 319.424 3.149 20 10 DGCDRN CC[C@@H](Nc1ccc(NC(C)=O)cn1)c1ccc(F)cc1O ZINC001322451270 1107676494 /nfs/dbraw/zinc/67/64/94/1107676494.db2.gz GEEXJIKNPQBIQX-CQSZACIVSA-N 0 0 303.337 3.448 20 10 DGCDRN CC[C@H](CO)NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl ZINC001317800081 1107677837 /nfs/dbraw/zinc/67/78/37/1107677837.db2.gz JINZTJVEKNYDDY-CYBMUJFWSA-N 0 0 320.820 3.248 20 10 DGCDRN CC[C@@H](CO)NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl ZINC001317800082 1107678758 /nfs/dbraw/zinc/67/87/58/1107678758.db2.gz JINZTJVEKNYDDY-ZDUSSCGKSA-N 0 0 320.820 3.248 20 10 DGCDRN Cc1cncc([C@@H]2CCCN2C(=O)NCc2ccc(N)cc2)c1 ZINC001262603205 1107735559 /nfs/dbraw/zinc/73/55/59/1107735559.db2.gz AQQQXNPODONXMT-KRWDZBQOSA-N 0 0 310.401 3.019 20 10 DGCDRN Cc1cncc([C@H]2CCCN2C(=O)NCc2ccc(N)cc2)c1 ZINC001262603206 1107735861 /nfs/dbraw/zinc/73/58/61/1107735861.db2.gz AQQQXNPODONXMT-QGZVFWFLSA-N 0 0 310.401 3.019 20 10 DGCDRN C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NCc1ccc(N)cc1 ZINC001262603219 1107736155 /nfs/dbraw/zinc/73/61/55/1107736155.db2.gz BCXMJDDFOHZNLQ-GWCFXTLKSA-N 0 0 315.339 3.141 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCC[C@@H](C)O)c1 ZINC001322708310 1107740808 /nfs/dbraw/zinc/74/08/08/1107740808.db2.gz CVXXXBZKEBPOAJ-CYBMUJFWSA-N 0 0 320.820 3.248 20 10 DGCDRN CCO[C@H](CC(=O)Nc1c2nonc2ccc1Cl)C(C)C ZINC001323481579 1107985752 /nfs/dbraw/zinc/98/57/52/1107985752.db2.gz BVZDGKZPJAPIHR-LLVKDONJSA-N 0 0 311.769 3.266 20 10 DGCDRN CCn1nc(C(C)C)cc1C(=O)NCc1ccc(N(C)C)cc1 ZINC001318594722 1108114876 /nfs/dbraw/zinc/11/48/76/1108114876.db2.gz DUUJWMBEIGXGDN-UHFFFAOYSA-N 0 0 314.433 3.022 20 10 DGCDRN CC[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)C[C@@H](C)[S@@]1=O ZINC001323981257 1108136903 /nfs/dbraw/zinc/13/69/03/1108136903.db2.gz LDIYOIIELUWXLT-LDJQZATESA-N 0 0 320.502 3.018 20 10 DGCDRN CCc1nnc(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)[nH]1 ZINC001319180583 1108352758 /nfs/dbraw/zinc/35/27/58/1108352758.db2.gz SCUCGIGNQFIDFA-UHFFFAOYSA-N 0 0 323.400 3.335 20 10 DGCDRN O=C(CC1CC(F)(F)C1)Nc1c2nonc2ccc1Cl ZINC001325024163 1108558856 /nfs/dbraw/zinc/55/88/56/1108558856.db2.gz WNLGYTHHESXKJA-UHFFFAOYSA-N 0 0 301.680 3.250 20 10 DGCDRN Cc1ccc(C(=O)NCCc2c(F)cccc2Cl)c(O)c1O ZINC001319842230 1108660607 /nfs/dbraw/zinc/66/06/07/1108660607.db2.gz GZYDWHRINDOBCU-UHFFFAOYSA-N 0 0 323.751 3.171 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cnc3ccccc3c2)cc1F ZINC001264827121 1108664096 /nfs/dbraw/zinc/66/40/96/1108664096.db2.gz ORVUXJLHTBJBPV-UHFFFAOYSA-N 0 0 323.371 3.370 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)c1ncc[nH]1 ZINC001306847657 1110245116 /nfs/dbraw/zinc/24/51/16/1110245116.db2.gz RIOIIJJRIQEJKJ-LBPRGKRZSA-N 0 0 314.414 3.370 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCCSc2ccccc21 ZINC001290606644 1110251325 /nfs/dbraw/zinc/25/13/25/1110251325.db2.gz POYCNOVHUMMVOC-UHFFFAOYSA-N 0 0 315.394 3.169 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cc(O)c3ccccc3c2)c1 ZINC001301046741 1111079959 /nfs/dbraw/zinc/07/99/59/1111079959.db2.gz JLTZAYCQXMVWBF-UHFFFAOYSA-N 0 0 307.349 3.489 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cccc(-c3cnco3)c2)c1 ZINC001301046591 1111080090 /nfs/dbraw/zinc/08/00/90/1111080090.db2.gz GDKPCQKYFYPTRG-UHFFFAOYSA-N 0 0 308.337 3.286 20 10 DGCDRN C[C@@H](NC(=O)Cc1cccc2cccnc21)c1ccccc1O ZINC001302530149 1111117107 /nfs/dbraw/zinc/11/71/07/1111117107.db2.gz BSOYUHZKWRWFSC-CYBMUJFWSA-N 0 0 306.365 3.360 20 10 DGCDRN Cc1c2ccccc2c(=O)[nH]c1C(=O)N[C@H](C)c1ccccc1O ZINC001302533039 1111117257 /nfs/dbraw/zinc/11/72/57/1111117257.db2.gz ZAQAORYQHPNSLX-GFCCVEGCSA-N 0 0 322.364 3.445 20 10 DGCDRN C[C@H](NC(=O)c1ccc2ccc(O)cc2c1O)c1ccccc1O ZINC001302537943 1111117338 /nfs/dbraw/zinc/11/73/38/1111117338.db2.gz BBPFPMXDYGHPJQ-NSHDSACASA-N 0 0 323.348 3.448 20 10 DGCDRN C[C@@H]1CC(C)(C)C[C@](C)(NC(=O)Cc2ccc(O)c(O)c2)C1 ZINC001303326686 1111139977 /nfs/dbraw/zinc/13/99/77/1111139977.db2.gz AHXUZNFYPVDYGS-KZULUSFZSA-N 0 0 305.418 3.361 20 10 DGCDRN CSc1ccccc1CC(=O)NCc1c(O)cccc1F ZINC001303876057 1111156120 /nfs/dbraw/zinc/15/61/20/1111156120.db2.gz UAEGWVIZJRNTTJ-UHFFFAOYSA-N 0 0 305.374 3.112 20 10 DGCDRN CC[C@H](Sc1ccccc1)C(=O)NCc1c(O)cccc1O ZINC001304053573 1111164106 /nfs/dbraw/zinc/16/41/06/1111164106.db2.gz OGXIYXRYEVGETF-INIZCTEOSA-N 0 0 317.410 3.285 20 10 DGCDRN Cc1ccc([C@H](C)CNC(=O)c2c(F)ccc(O)c2O)cc1 ZINC001306607585 1111234328 /nfs/dbraw/zinc/23/43/28/1111234328.db2.gz BADIWTCBAYBOAE-LLVKDONJSA-N 0 0 303.333 3.079 20 10 DGCDRN CCN1C[C@H](CN(CCC(C)C)c2ccc(OC)cc2)OC1=O ZINC001307740500 1111333915 /nfs/dbraw/zinc/33/39/15/1111333915.db2.gz QFUDKHBZJBYICK-QGZVFWFLSA-N 0 0 320.433 3.388 20 10 DGCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2CCO[C@H]1CCOC1 ZINC001307864338 1111347928 /nfs/dbraw/zinc/34/79/28/1111347928.db2.gz UVABWUFOZLEUIJ-WMZOPIPTSA-N 0 0 319.445 3.135 20 10 DGCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2CCO[C@@H]1CCOC1 ZINC001307864336 1111348210 /nfs/dbraw/zinc/34/82/10/1111348210.db2.gz UVABWUFOZLEUIJ-FUHWJXTLSA-N 0 0 319.445 3.135 20 10 DGCDRN Cc1ccc(C(N)=O)cc1NCc1cc(Cl)cc(F)c1O ZINC001308314902 1111415724 /nfs/dbraw/zinc/41/57/24/1111415724.db2.gz ISFXQMOVRHJYSH-UHFFFAOYSA-N 0 0 308.740 3.204 20 10 DGCDRN CN(C)c1ccc(/C=C\CNc2ccc3[nH]c(=O)n(C)c3c2)cc1 ZINC001308430149 1111427779 /nfs/dbraw/zinc/42/77/79/1111427779.db2.gz GEPWGAYZQRNFJY-PLNGDYQASA-N 0 0 322.412 3.470 20 10 DGCDRN Cc1cc(O)c(CNc2ccc3c(c2)CCNC3=O)c(Cl)c1 ZINC001308460576 1111431403 /nfs/dbraw/zinc/43/14/03/1111431403.db2.gz DIGJMHMEKZSHGE-UHFFFAOYSA-N 0 0 316.788 3.252 20 10 DGCDRN Cc1cccc2c1C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])CO2 ZINC001308473623 1111432875 /nfs/dbraw/zinc/43/28/75/1111432875.db2.gz LKICSVWALFBPJE-CYBMUJFWSA-N 0 0 305.324 3.072 20 10 DGCDRN CN(C)c1ccc(/C=C\CN2CCOCC23CCCC3)cc1 ZINC001308622218 1111452012 /nfs/dbraw/zinc/45/20/12/1111452012.db2.gz KELXKGCFRBLSPZ-WAYWQWQTSA-N 0 0 300.446 3.411 20 10 DGCDRN COC1(c2ccccc2)CN(Cc2ccc(Cl)cc2O)C1 ZINC001308746880 1111468928 /nfs/dbraw/zinc/46/89/28/1111468928.db2.gz JFDRYCWVRVKTEN-UHFFFAOYSA-N 0 0 303.789 3.403 20 10 DGCDRN Cc1ccc(CN2CC[C@H]([NH2+]Cc3cccc(F)c3[O-])C2)cc1 ZINC001308911641 1111492987 /nfs/dbraw/zinc/49/29/87/1111492987.db2.gz JARQRXONOBIVAK-KRWDZBQOSA-N 0 0 314.404 3.204 20 10 DGCDRN CCOC(=O)[C@@H](CCCC(C)C)NCc1cc(OC)ccc1O ZINC001308935189 1111496469 /nfs/dbraw/zinc/49/64/69/1111496469.db2.gz MZTMWDVXWUMZML-MRXNPFEDSA-N 0 0 323.433 3.248 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)Nc1cccnc1Cl ZINC001310192291 1111552988 /nfs/dbraw/zinc/55/29/88/1111552988.db2.gz SHWJDJLBOFBSPR-UHFFFAOYSA-N 0 0 312.156 3.416 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2cc(Cl)ccn2)cc1F ZINC001310717939 1111569155 /nfs/dbraw/zinc/56/91/55/1111569155.db2.gz NRMBMADDSJISSB-UHFFFAOYSA-N 0 0 322.771 3.262 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(C(F)F)cc1 ZINC001311253898 1111591959 /nfs/dbraw/zinc/59/19/59/1111591959.db2.gz YONXTXYEKPVXEI-UHFFFAOYSA-N 0 0 322.311 3.400 20 10 DGCDRN CN1CCCc2cc(CNC(=O)NCCC3CC=CC3)ccc21 ZINC001311729006 1111616095 /nfs/dbraw/zinc/61/60/95/1111616095.db2.gz VQHUDUQNHUZPDQ-UHFFFAOYSA-N 0 0 313.445 3.225 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCCc2cc3ccccc3o2)c1 ZINC001312043748 1111632300 /nfs/dbraw/zinc/63/23/00/1111632300.db2.gz FGLZLTJDBWEZKL-UHFFFAOYSA-N 0 0 324.380 3.489 20 10 DGCDRN CC(=O)c1cc(F)cc(CN(C)Cc2cnc(C)s2)c1O ZINC000079400400 185169166 /nfs/dbraw/zinc/16/91/66/185169166.db2.gz AAQNOASUVQSULO-UHFFFAOYSA-N 0 0 308.378 3.131 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1CCCCCC1 ZINC000173196864 282295260 /nfs/dbraw/zinc/29/52/60/282295260.db2.gz QLYYITBCWQCHAL-UHFFFAOYSA-N 0 0 302.418 3.448 20 10 DGCDRN Cn1nccc1CCN1CCCc2cc(OC(F)F)ccc21 ZINC000374828124 229570445 /nfs/dbraw/zinc/57/04/45/229570445.db2.gz JKIVKTWEXWMQHO-UHFFFAOYSA-N 0 0 307.344 3.017 20 10 DGCDRN COc1cc(C)sc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000072647498 191208618 /nfs/dbraw/zinc/20/86/18/191208618.db2.gz OMIKNGJLSWNBRO-UHFFFAOYSA-N 0 0 304.415 3.061 20 10 DGCDRN CC(F)(F)CCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000297144272 535201417 /nfs/dbraw/zinc/20/14/17/535201417.db2.gz JXSPEPIDIOYBPQ-UHFFFAOYSA-N 0 0 312.360 3.116 20 10 DGCDRN CCOc1cccc(CNc2ccc(N3CCCC3)nc2)c1O ZINC000236939600 202083472 /nfs/dbraw/zinc/08/34/72/202083472.db2.gz ANDQGFMNCJEJMV-UHFFFAOYSA-N 0 0 313.401 3.398 20 10 DGCDRN O=[N+]([O-])c1ccccc1/C=C\CN1C[C@@H](O)Cc2ccccc21 ZINC000435041337 238267931 /nfs/dbraw/zinc/26/79/31/238267931.db2.gz PJXWIJBMOXABRC-SBSDFTTDSA-N 0 0 310.353 3.032 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1ccc(F)c(F)c1[O-] ZINC000278479065 296129146 /nfs/dbraw/zinc/12/91/46/296129146.db2.gz OOZFMGWXYZYGDI-YPMHNXCESA-N 0 0 310.388 3.338 20 10 DGCDRN CCCCO[C@@H](C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000471233787 244210874 /nfs/dbraw/zinc/21/08/74/244210874.db2.gz LTEYYSMHSMBGAT-AWEZNQCLSA-N 0 0 302.418 3.308 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@](C)(F)C1 ZINC000472220735 244288957 /nfs/dbraw/zinc/28/89/57/244288957.db2.gz JJKYRNKROXPVDD-QGZVFWFLSA-N 0 0 303.381 3.130 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H](C2CC2)C1 ZINC000472224453 244289577 /nfs/dbraw/zinc/28/95/77/244289577.db2.gz QDRCOGLEVJQINU-HNNXBMFYSA-N 0 0 311.429 3.428 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000472234992 244291138 /nfs/dbraw/zinc/29/11/38/244291138.db2.gz ZLMSCPLYZKZALX-GJZGRUSLSA-N 0 0 311.429 3.428 20 10 DGCDRN C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093482718 193258930 /nfs/dbraw/zinc/25/89/30/193258930.db2.gz SLONEWKVEHVKPV-BXKDBHETSA-N 0 0 304.217 3.434 20 10 DGCDRN CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000268716624 432125088 /nfs/dbraw/zinc/12/50/88/432125088.db2.gz IUYOVVOHGCPEIQ-CVEARBPZSA-N 0 0 317.477 3.242 20 10 DGCDRN COc1cc(OC)cc(N(C)C(=O)/C=C\c2ccc(C)nc2)c1 ZINC000492035286 245617994 /nfs/dbraw/zinc/61/79/94/245617994.db2.gz WFXCONIFRNOHJJ-FPLPWBNLSA-N 0 0 312.369 3.083 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C\c2cnccc2C)cc1OC ZINC000492533050 245732096 /nfs/dbraw/zinc/73/20/96/245732096.db2.gz MDYBTRQSSPZZGZ-YVMONPNESA-N 0 0 312.369 3.083 20 10 DGCDRN O=C(C=Cc1cccnc1)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000492622082 245761094 /nfs/dbraw/zinc/76/10/94/245761094.db2.gz WOQURMJHOSFACK-PIZKADEWSA-N 0 0 304.349 3.202 20 10 DGCDRN Nc1ccc(NC(=O)COc2ccccc2Br)cc1 ZINC000019475294 182124227 /nfs/dbraw/zinc/12/42/27/182124227.db2.gz BJKIZMWEOWFUSZ-UHFFFAOYSA-N 0 0 321.174 3.049 20 10 DGCDRN C[C@@H](O)c1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273379227 296204651 /nfs/dbraw/zinc/20/46/51/296204651.db2.gz HUJWQENDLBJLKT-NWDGAFQWSA-N 0 0 316.357 3.205 20 10 DGCDRN CCN(C(=O)/C=C\c1c(C)nn(C)c1Cl)c1cccnc1C ZINC000493749379 246058575 /nfs/dbraw/zinc/05/85/75/246058575.db2.gz SDNDYTVPTPBOSX-HJWRWDBZSA-N 0 0 318.808 3.152 20 10 DGCDRN O=C(C=Cc1cncs1)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000493731653 246054026 /nfs/dbraw/zinc/05/40/26/246054026.db2.gz YTIYFUGLGDZFFR-XOIDGJRKSA-N 0 0 310.378 3.263 20 10 DGCDRN O=C(C=Cc1cncs1)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000493731652 246054077 /nfs/dbraw/zinc/05/40/77/246054077.db2.gz YTIYFUGLGDZFFR-OKPNEXGHSA-N 0 0 310.378 3.263 20 10 DGCDRN Cc1ncc(/C=C\C(=O)N(C)c2cnc3ccccc3n2)s1 ZINC000493803524 246072505 /nfs/dbraw/zinc/07/25/05/246072505.db2.gz OYXUXNZVEMSGAV-FPLPWBNLSA-N 0 0 310.382 3.071 20 10 DGCDRN Cc1ncsc1/C=C\C(=O)N1CCCc2cccc(O)c21 ZINC000493817208 246075030 /nfs/dbraw/zinc/07/50/30/246075030.db2.gz HZNGIUKQEJULGI-FPLPWBNLSA-N 0 0 300.383 3.150 20 10 DGCDRN COc1cccc(CNC(=O)C[C@H](C)c2ccccc2F)c1O ZINC000105650643 194117818 /nfs/dbraw/zinc/11/78/18/194117818.db2.gz MNRAFAGENQNHQN-LBPRGKRZSA-N 0 0 317.360 3.350 20 10 DGCDRN CO[C@H](C)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000266765271 533066405 /nfs/dbraw/zinc/06/64/05/533066405.db2.gz DXLODPIZGNXJKX-OAHLLOKOSA-N 0 0 321.465 3.098 20 10 DGCDRN CO[C@H](CC(C)C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000415556664 533138036 /nfs/dbraw/zinc/13/80/36/533138036.db2.gz GWLNJBVOLDCHSD-QGZVFWFLSA-N 0 0 302.418 3.164 20 10 DGCDRN COCCCCN(C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000416709231 533243840 /nfs/dbraw/zinc/24/38/40/533243840.db2.gz FRGUKUUNOKDHAN-UHFFFAOYSA-N 0 0 317.433 3.055 20 10 DGCDRN COc1cccc(CNc2cccc(N3CCCC3=O)c2)c1O ZINC000074336589 533519322 /nfs/dbraw/zinc/51/93/22/533519322.db2.gz IDYIUHVOAKAUST-UHFFFAOYSA-N 0 0 312.369 3.140 20 10 DGCDRN COc1ccc(O)c(C[NH2+][C@H](C)[C@H](OC)c2ccccc2F)c1 ZINC000272378540 130024125 /nfs/dbraw/zinc/02/41/25/130024125.db2.gz DGEGLXYOKCUWKB-XIKOKIGWSA-N 0 0 319.376 3.406 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccc([S@@](C)=O)cc1 ZINC000272421162 130029167 /nfs/dbraw/zinc/02/91/67/130029167.db2.gz LZCQUHNYOGHGAQ-WIUDPPPLSA-N 0 0 307.390 3.120 20 10 DGCDRN CN(Cc1ncc(Cl)n1C)Cc1c(O)cccc1Cl ZINC000272582618 130044140 /nfs/dbraw/zinc/04/41/40/130044140.db2.gz GXNMTTNKYRSRIP-UHFFFAOYSA-N 0 0 300.189 3.065 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCOC(C)C ZINC000273114860 130090927 /nfs/dbraw/zinc/09/09/27/130090927.db2.gz LRVHKIDWPBXXKA-UHFFFAOYSA-N 0 0 306.450 3.306 20 10 DGCDRN COc1ccc(O)c([C@H](C)N[C@H](C)c2nnc(C(C)C)[nH]2)c1 ZINC000273343755 130109137 /nfs/dbraw/zinc/10/91/37/130109137.db2.gz AFIGOOHEDGDIKT-WDEREUQCSA-N 0 0 304.394 3.054 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(OC)cc2)c1 ZINC000273367264 130112312 /nfs/dbraw/zinc/11/23/12/130112312.db2.gz FIJFVOPJNWVHIH-GFCCVEGCSA-N 0 0 315.369 3.038 20 10 DGCDRN C[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273388108 130115292 /nfs/dbraw/zinc/11/52/92/130115292.db2.gz DELXEWBNAAUWLU-FRRDWIJNSA-N 0 0 308.378 3.156 20 10 DGCDRN COc1ccc(O)c([C@H](C)Nc2cccc(C(=O)N(C)C)c2)c1 ZINC000273419872 130119055 /nfs/dbraw/zinc/11/90/55/130119055.db2.gz JEWULGJLCMTMDU-LBPRGKRZSA-N 0 0 314.385 3.276 20 10 DGCDRN C[C@H](Nc1ccc(CS(C)(=O)=O)cc1)c1cc(F)ccc1O ZINC000273447763 130123914 /nfs/dbraw/zinc/12/39/14/130123914.db2.gz FKQFEWSWFPLVEN-NSHDSACASA-N 0 0 323.389 3.249 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCO[C@H](C(C)C)C2)c1 ZINC000273482396 130126601 /nfs/dbraw/zinc/12/66/01/130126601.db2.gz MFKGBYUPMIJIIT-QEORTHHSSA-N 0 0 321.417 3.033 20 10 DGCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2cnn(CC(C)C)c2)c1 ZINC000273510385 130130592 /nfs/dbraw/zinc/13/05/92/130130592.db2.gz RSAWIBKCVAMCMJ-GFCCVEGCSA-N 0 0 317.389 3.204 20 10 DGCDRN Cc1ccc(O)c([C@H](C)N[C@H](CO)c2c(F)cccc2F)c1 ZINC000273526994 130132848 /nfs/dbraw/zinc/13/28/48/130132848.db2.gz VMCJIAPVSVZCJJ-XHDPSFHLSA-N 0 0 307.340 3.363 20 10 DGCDRN Cc1ccc([C@@H](C)N[C@H](CO)c2c(F)cccc2F)c(O)c1 ZINC000273537013 130133360 /nfs/dbraw/zinc/13/33/60/130133360.db2.gz XPYYPFUAFJEDBV-IAQYHMDHSA-N 0 0 307.340 3.363 20 10 DGCDRN Cc1ccc([C@H](C)Nc2ccc3c(c2)n(C)c(=O)n3C)c(O)c1 ZINC000273543008 130134899 /nfs/dbraw/zinc/13/48/99/130134899.db2.gz YUGUICXUJGYOJB-LBPRGKRZSA-N 0 0 311.385 3.064 20 10 DGCDRN C[C@@H]([NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-])c1nncn1C ZINC000273568649 130138377 /nfs/dbraw/zinc/13/83/77/130138377.db2.gz KDSLJHUWDRDUCR-HTQZYQBOSA-N 0 0 315.204 3.239 20 10 DGCDRN C[C@H]([NH2+]CCOCC1CC1)c1ccc(Br)cc1O ZINC000273577992 130139735 /nfs/dbraw/zinc/13/97/35/130139735.db2.gz MCNDQUUYBRSJGJ-JTQLQIEISA-N 0 0 314.223 3.232 20 10 DGCDRN CC(C)OC1CC([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000274411921 130232752 /nfs/dbraw/zinc/23/27/52/130232752.db2.gz DSFHFGZUFWOAPN-UHFFFAOYSA-N 0 0 314.223 3.200 20 10 DGCDRN C[C@H](N[C@@H](C)c1ccc(N2CCCCC2)cc1)c1ncn(C)n1 ZINC000275789628 130386084 /nfs/dbraw/zinc/38/60/84/130386084.db2.gz XANCGFKWSWPGCP-GJZGRUSLSA-N 0 0 313.449 3.217 20 10 DGCDRN CCC[C@]1(C)NC(=O)N(c2cc(Cl)c(N)c(Cl)c2)C1=O ZINC000277960627 130652513 /nfs/dbraw/zinc/65/25/13/130652513.db2.gz HXLCQZSIUZZVQH-ZDUSSCGKSA-N 0 0 316.188 3.191 20 10 DGCDRN CN(C)C(=O)c1ccc(NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000278816442 130720669 /nfs/dbraw/zinc/72/06/69/130720669.db2.gz ZBIMTAYLGQUAJX-UHFFFAOYSA-N 0 0 315.392 3.206 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](F)CC1CCCCC1 ZINC000281333945 130853799 /nfs/dbraw/zinc/85/37/99/130853799.db2.gz VPRIRXSYPRIGFZ-IUODEOHRSA-N 0 0 323.408 3.454 20 10 DGCDRN CCCC[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000282114085 130901663 /nfs/dbraw/zinc/90/16/63/130901663.db2.gz KAULSNHGSWESOF-CQSZACIVSA-N 0 0 322.424 3.105 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CCCC(F)(F)C1 ZINC000282304317 130913219 /nfs/dbraw/zinc/91/32/19/130913219.db2.gz SPKOLJDQJABSTK-FUEXJSSKSA-N 0 0 311.328 3.053 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1ccco1 ZINC000282739495 130938124 /nfs/dbraw/zinc/93/81/24/130938124.db2.gz XVVJZFMHVDJONE-UHFFFAOYSA-N 0 0 302.374 3.497 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1ccc(F)cc1[O-] ZINC000284370280 131074897 /nfs/dbraw/zinc/07/48/97/131074897.db2.gz NQGGKQLIFDYTRM-SECBINFHSA-N 0 0 312.291 3.379 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCC(=O)c3ccccc32)cc1 ZINC000284505191 131087764 /nfs/dbraw/zinc/08/77/64/131087764.db2.gz MHGRKIPUNDKYKA-GOSISDBHSA-N 0 0 322.408 3.129 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N1CCSCC1 ZINC000285285958 131154726 /nfs/dbraw/zinc/15/47/26/131154726.db2.gz SPHQSTHHLNWFOU-UHFFFAOYSA-N 0 0 321.490 3.132 20 10 DGCDRN CCCOc1ccc(CNc2cc(CCOC)ccn2)c(O)c1 ZINC000285291828 131155365 /nfs/dbraw/zinc/15/53/65/131155365.db2.gz SZBNOSOEPBQGDF-UHFFFAOYSA-N 0 0 316.401 3.377 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cnc(COC)s1 ZINC000285527992 131177404 /nfs/dbraw/zinc/17/74/04/131177404.db2.gz CJAUTIXQJRQQCY-UHFFFAOYSA-N 0 0 320.414 3.048 20 10 DGCDRN CC[C@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000286002652 131214946 /nfs/dbraw/zinc/21/49/46/131214946.db2.gz HPUCNSFUTCHBLS-WBVHZDCISA-N 0 0 321.367 3.315 20 10 DGCDRN COc1cccc(CNC(=O)c2cc(C(C)C)oc2C)c1O ZINC000286758625 131249329 /nfs/dbraw/zinc/24/93/29/131249329.db2.gz MNBMYEOYLAKVKA-UHFFFAOYSA-N 0 0 303.358 3.356 20 10 DGCDRN C[C@@H](CF)NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000287510252 131284355 /nfs/dbraw/zinc/28/43/55/131284355.db2.gz FJCZRBVJSJZXEF-AWEZNQCLSA-N 0 0 307.413 3.080 20 10 DGCDRN Cc1ccnc(C)c1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000287612585 131290129 /nfs/dbraw/zinc/29/01/29/131290129.db2.gz SVLZRYMHROWKRW-UHFFFAOYSA-N 0 0 324.428 3.403 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1ccc(F)cc1[O-] ZINC000287675888 131294793 /nfs/dbraw/zinc/29/47/93/131294793.db2.gz VZPUOQPYEZOQOV-WFASDCNBSA-N 0 0 303.381 3.031 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC2=CCCOC2)cc1 ZINC000288050151 131310801 /nfs/dbraw/zinc/31/08/01/131310801.db2.gz MOZNCNAMLVLPEW-UHFFFAOYSA-N 0 0 310.397 3.171 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NC[C@H]2CCCSC2)cc1 ZINC000288066678 131311630 /nfs/dbraw/zinc/31/16/30/131311630.db2.gz SZLUFBXLESISRR-OAHLLOKOSA-N 0 0 321.490 3.037 20 10 DGCDRN Cc1cc(C(=O)NCC2=CCCOC2)c(C)n1-c1cccc(C)c1 ZINC000288159137 131314811 /nfs/dbraw/zinc/31/48/11/131314811.db2.gz YWGVUFNZJMBZGP-UHFFFAOYSA-N 0 0 324.424 3.479 20 10 DGCDRN C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1)c1ccc(F)cc1[O-] ZINC000289673082 131406473 /nfs/dbraw/zinc/40/64/73/131406473.db2.gz HIHNDBQICZQGGE-SOVGHPHASA-N 0 0 315.388 3.348 20 10 DGCDRN COC(=O)c1cnc(SCCc2scnc2C)s1 ZINC000295315530 131896505 /nfs/dbraw/zinc/89/65/05/131896505.db2.gz NPSPWCGDYNWAPP-UHFFFAOYSA-N 0 0 300.430 3.029 20 10 DGCDRN CC[C@@H](CC(=O)NCc1ccc(N)cc1)c1ccc(OC)cc1 ZINC000297131689 132001270 /nfs/dbraw/zinc/00/12/70/132001270.db2.gz HJAIIEGIJCLXAJ-HNNXBMFYSA-N 0 0 312.413 3.478 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)CC[C@@H]2CCCO2)C2CC2)cc1 ZINC000298305794 132054896 /nfs/dbraw/zinc/05/48/96/132054896.db2.gz CCAWXSIOLVHSMT-SFHVURJKSA-N 0 0 316.445 3.203 20 10 DGCDRN Cc1occc1SCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000298433774 132062357 /nfs/dbraw/zinc/06/23/57/132062357.db2.gz XEDVAEXSHFOPIJ-UHFFFAOYSA-N 0 0 318.442 3.405 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CCCO1 ZINC000298628462 132071025 /nfs/dbraw/zinc/07/10/25/132071025.db2.gz UJWJQTUQGHNMTP-KRWDZBQOSA-N 0 0 304.434 3.059 20 10 DGCDRN CN(C)c1ccc(CN(Cc2nc(C3CC3)no2)C2CC2)cc1 ZINC000298733401 132075797 /nfs/dbraw/zinc/07/57/97/132075797.db2.gz UDJHUSUBQFLRCF-UHFFFAOYSA-N 0 0 312.417 3.178 20 10 DGCDRN Cc1cc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)no1 ZINC000298847624 132079558 /nfs/dbraw/zinc/07/95/58/132079558.db2.gz KYDVLCOIHVVZDJ-UHFFFAOYSA-N 0 0 316.405 3.492 20 10 DGCDRN CC[C@H](NC(=O)NCc1ccccc1O)c1ccc(OC)cc1 ZINC000299549710 132110250 /nfs/dbraw/zinc/11/02/50/132110250.db2.gz XGFRKHWCJGMGSC-INIZCTEOSA-N 0 0 314.385 3.351 20 10 DGCDRN CC[C@@H](NC(=O)NCc1ccccc1O)c1ccc(OC)cc1 ZINC000299549714 132110554 /nfs/dbraw/zinc/11/05/54/132110554.db2.gz XGFRKHWCJGMGSC-MRXNPFEDSA-N 0 0 314.385 3.351 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1ccccc1OC ZINC000299595850 132112611 /nfs/dbraw/zinc/11/26/11/132112611.db2.gz FNSXFRRKRVCUKN-UHFFFAOYSA-N 0 0 313.397 3.382 20 10 DGCDRN Cc1nc(C2(NCc3ccc4c(c3)CCO4)CCCCC2)no1 ZINC000299669552 132115320 /nfs/dbraw/zinc/11/53/20/132115320.db2.gz ZXTPPDDVIUHONI-UHFFFAOYSA-N 0 0 313.401 3.262 20 10 DGCDRN Cc1ccc(C(=O)N2CCSC3(CCCCC3)C2)c(O)c1O ZINC000179539796 292060661 /nfs/dbraw/zinc/06/06/61/292060661.db2.gz NPHFFHXGDGRPIZ-UHFFFAOYSA-N 0 0 321.442 3.298 20 10 DGCDRN CC[C@H](C)NC(=O)CSc1ncc(-c2ccccc2)n1C ZINC000005263778 400087657 /nfs/dbraw/zinc/08/76/57/400087657.db2.gz WCPLCKMGPXEQHT-LBPRGKRZSA-N 0 0 303.431 3.094 20 10 DGCDRN COc1ccc(O)c([C@H](C)Nc2ncc(Br)cn2)c1 ZINC000067371996 400165822 /nfs/dbraw/zinc/16/58/22/400165822.db2.gz XDBWGSCCYSWBKZ-QMMMGPOBSA-N 0 0 324.178 3.126 20 10 DGCDRN O=C(Cc1cccc(F)c1)NCc1ccc(N2CCCC2)cc1 ZINC000028046830 400286246 /nfs/dbraw/zinc/28/62/46/400286246.db2.gz LPQLBVWTUBKTSG-UHFFFAOYSA-N 0 0 312.388 3.285 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2ccc3c(c2)CCO3)cc1 ZINC000031730270 400352645 /nfs/dbraw/zinc/35/26/45/400352645.db2.gz WLKMNOWJHITJBG-UHFFFAOYSA-N 0 0 311.385 3.009 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N(C)C(C2CC2)C2CC2)cc1 ZINC000051191587 400696385 /nfs/dbraw/zinc/69/63/85/400696385.db2.gz YRKOGINFGBDDMY-UHFFFAOYSA-N 0 0 301.434 3.083 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccnc1Cl ZINC000078579261 400811829 /nfs/dbraw/zinc/81/18/29/400811829.db2.gz XMRVUUMIFUWUOX-UHFFFAOYSA-N 0 0 317.820 3.463 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CCc2nccs2)cc1 ZINC000055288622 400861612 /nfs/dbraw/zinc/86/16/12/400861612.db2.gz YPCXQMJDYBBWPD-UHFFFAOYSA-N 0 0 317.458 3.238 20 10 DGCDRN O=C(C=C1CCCCC1)NCc1ccc(N2CCOCC2)cc1 ZINC000056199839 400914610 /nfs/dbraw/zinc/91/46/10/400914610.db2.gz NIFDSZOSOUUNNH-UHFFFAOYSA-N 0 0 314.429 3.030 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)Cc2c(F)cccc2F)cc1 ZINC000087024010 401182337 /nfs/dbraw/zinc/18/23/37/401182337.db2.gz WUUVBWMLZHTGOT-UHFFFAOYSA-N 0 0 318.367 3.232 20 10 DGCDRN O=C(NC1CC1)[C@H](Sc1nccs1)c1ccc(F)cc1 ZINC000064661501 401246994 /nfs/dbraw/zinc/24/69/94/401246994.db2.gz XEQBKZFFMMTYFH-GFCCVEGCSA-N 0 0 308.403 3.394 20 10 DGCDRN CC[C@@H]([NH2+]CCC(=O)N[C@@H](C)CC)c1cccc(Cl)c1[O-] ZINC000287687597 286905540 /nfs/dbraw/zinc/90/55/40/286905540.db2.gz MYPZPNFQZKPCAP-SMDDNHRTSA-N 0 0 312.841 3.391 20 10 DGCDRN CC[C@@H]([NH2+][C@@H]1CCN(C(C)C)C1=O)c1cccc(Cl)c1[O-] ZINC000287314467 286926160 /nfs/dbraw/zinc/92/61/60/286926160.db2.gz DAZQVOGYGKCYFH-ZIAGYGMSSA-N 0 0 310.825 3.096 20 10 DGCDRN CN(C(=O)/C=C/c1c(Cl)nc2sccn12)c1cccnc1 ZINC000172021013 432191391 /nfs/dbraw/zinc/19/13/91/432191391.db2.gz MGTSAAQNWITAFH-SNAWJCMRSA-N 0 0 318.789 3.120 20 10 DGCDRN COc1ccc(N(C)C[C@H](O)c2ccccc2F)c(OC)c1 ZINC000269847126 432213383 /nfs/dbraw/zinc/21/33/83/432213383.db2.gz WYMFNVWKWPKHLH-INIZCTEOSA-N 0 0 305.349 3.013 20 10 DGCDRN Cc1cncc(/C=C/C(=O)N2C[C@@H](C)C(=O)Nc3ccccc32)c1 ZINC000130288794 227018039 /nfs/dbraw/zinc/01/80/39/227018039.db2.gz ZVTOWBKICIJPDH-HSBSLETESA-N 0 0 321.380 3.025 20 10 DGCDRN CCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccccc1O ZINC000291104717 228817837 /nfs/dbraw/zinc/81/78/37/228817837.db2.gz WOZIQSDLHVDKNH-UHFFFAOYSA-N 0 0 323.400 3.010 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)CC[C@@H]1CCCCO1 ZINC000348659324 229205404 /nfs/dbraw/zinc/20/54/04/229205404.db2.gz IPBCXWSIKIJBFU-HNNXBMFYSA-N 0 0 314.429 3.452 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNc1nc(C)nc2c1cnn2C ZINC000359836067 229384675 /nfs/dbraw/zinc/38/46/75/229384675.db2.gz KYVKMKGRQJSXPX-UHFFFAOYSA-N 0 0 320.400 3.084 20 10 DGCDRN CCN(C(=O)Cc1ccc(N)cc1)[C@H](C)c1cccc(OC)c1 ZINC000237043330 276299493 /nfs/dbraw/zinc/29/94/93/276299493.db2.gz STZSOSSAGPDKJN-CQSZACIVSA-N 0 0 312.413 3.430 20 10 DGCDRN CCN(CC)c1ccc(CNCc2ncnn2C(C)(C)C)cc1 ZINC000282677311 276341599 /nfs/dbraw/zinc/34/15/99/276341599.db2.gz NFSSCLSTCKECJQ-UHFFFAOYSA-N 0 0 315.465 3.169 20 10 DGCDRN COc1cccc2c1CCCN2C(=O)/C=C\c1cncs1 ZINC000492942223 278025913 /nfs/dbraw/zinc/02/59/13/278025913.db2.gz VCBJUCBUPIPSFH-FPLPWBNLSA-N 0 0 300.383 3.144 20 10 DGCDRN CC[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccc(F)cc1[O-] ZINC000287486634 288051217 /nfs/dbraw/zinc/05/12/17/288051217.db2.gz NBKBDMARTBAQAM-ZDUSSCGKSA-N 0 0 306.385 3.119 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C)CC[S@@](C)=O)c1cccc(Cl)c1[O-] ZINC000287667150 288058765 /nfs/dbraw/zinc/05/87/65/288058765.db2.gz LZPSPIFARNIJHB-WSHAHDTKSA-N 0 0 303.855 3.243 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)CC[C@H]1CCCCO1 ZINC000111592983 431228520 /nfs/dbraw/zinc/22/85/20/431228520.db2.gz PQXBMXITEDODCI-MRXNPFEDSA-N 0 0 305.418 3.480 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC2(C1)CCCCC2 ZINC000180816495 279719628 /nfs/dbraw/zinc/71/96/28/279719628.db2.gz YVHFMFQEKOYVEV-FNORWQNLSA-N 0 0 301.386 3.294 20 10 DGCDRN COc1cc(N(C)Cc2cccc(Cl)n2)cc(OC)c1OC ZINC000075767494 431495101 /nfs/dbraw/zinc/49/51/01/431495101.db2.gz UFUPXVREXFYIQC-UHFFFAOYSA-N 0 0 322.792 3.397 20 10 DGCDRN Oc1cccc(Cl)c1CNc1ccn(CC(F)(F)F)n1 ZINC000120667744 431730854 /nfs/dbraw/zinc/73/08/54/431730854.db2.gz FYCYCTBCFWUDHS-UHFFFAOYSA-N 0 0 305.687 3.417 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000079602999 431735726 /nfs/dbraw/zinc/73/57/26/431735726.db2.gz WNCAYTCJMQYXAC-QGZVFWFLSA-N 0 0 312.417 3.127 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000122566905 431837290 /nfs/dbraw/zinc/83/72/90/431837290.db2.gz ANKLZPFJQRYAFO-BZUAXINKSA-N 0 0 317.429 3.363 20 10 DGCDRN CC(C)(C)SCCCC(=O)NCCc1ccc(O)c(O)c1 ZINC000122564331 431837502 /nfs/dbraw/zinc/83/75/02/431837502.db2.gz KDHMPMXMNWKZMV-UHFFFAOYSA-N 0 0 311.447 3.068 20 10 DGCDRN CCOCc1ccc(CNC(=O)CSc2nccs2)cc1 ZINC000055277402 431979562 /nfs/dbraw/zinc/97/95/62/431979562.db2.gz NFNGTHKOVQUVFS-UHFFFAOYSA-N 0 0 322.455 3.088 20 10 DGCDRN Oc1ccc(CCNc2nc(-c3ccccc3)ns2)cc1O ZINC000126367222 431948240 /nfs/dbraw/zinc/94/82/40/431948240.db2.gz ZYTPAMGIPAOMPW-UHFFFAOYSA-N 0 0 313.382 3.271 20 10 DGCDRN CCc1c(C(=O)N(C)Cc2ccccc2O)[nH]c(C)c1C(C)=O ZINC000053916577 431966071 /nfs/dbraw/zinc/96/60/71/431966071.db2.gz OLCQYZMWRNUVFQ-UHFFFAOYSA-N 0 0 314.385 3.066 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)CCC(=O)c1cccs1 ZINC000053914745 431966391 /nfs/dbraw/zinc/96/63/91/431966391.db2.gz CWGRJARPUNXUBP-UHFFFAOYSA-N 0 0 303.383 3.075 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@H]2CCCc3occc32)cc1 ZINC000097358646 431967839 /nfs/dbraw/zinc/96/78/39/431967839.db2.gz LJAUXLVOSWIRMG-INIZCTEOSA-N 0 0 313.401 3.222 20 10 DGCDRN CC[C@@H]1C[C@@H](C(=O)NCc2ccc(N(CC)CC)cc2)CCO1 ZINC000183211169 432269101 /nfs/dbraw/zinc/26/91/01/432269101.db2.gz PTELHEHZJFVNOO-FUHWJXTLSA-N 0 0 318.461 3.354 20 10 DGCDRN CSc1ccsc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183488103 432296969 /nfs/dbraw/zinc/29/69/69/432296969.db2.gz VINBXLOUBHFMRC-VIFPVBQESA-N 0 0 323.439 3.242 20 10 DGCDRN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCCOC ZINC000057884934 431994104 /nfs/dbraw/zinc/99/41/04/431994104.db2.gz RSEAOCHNSPLBAN-UHFFFAOYSA-N 0 0 320.414 3.080 20 10 DGCDRN COCc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)cc1 ZINC000058768730 431998357 /nfs/dbraw/zinc/99/83/57/431998357.db2.gz INOXFNNKYVNGPB-UHFFFAOYSA-N 0 0 324.424 3.145 20 10 DGCDRN CC(C)[N@H+](Cc1ccc(CO)o1)Cc1ccc(N(C)C)cc1 ZINC000271094960 432328978 /nfs/dbraw/zinc/32/89/78/432328978.db2.gz YIGQKRXEGKRTOM-UHFFFAOYSA-N 0 0 302.418 3.249 20 10 DGCDRN CC[C@H](C)OCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000152655077 432347619 /nfs/dbraw/zinc/34/76/19/432347619.db2.gz WBLWZZFDXORHMT-INIZCTEOSA-N 0 0 318.461 3.450 20 10 DGCDRN CCNC(=O)COc1ccc(N[C@@H](C)c2ccccc2O)cc1 ZINC000183649020 432313196 /nfs/dbraw/zinc/31/31/96/432313196.db2.gz MJSNAKPJERHECE-ZDUSSCGKSA-N 0 0 314.385 3.080 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](CCO)C(C)(C)C)c1[O-] ZINC000183673081 432314649 /nfs/dbraw/zinc/31/46/49/432314649.db2.gz OYLHQPGYSAOJPX-AWEZNQCLSA-N 0 0 313.825 3.135 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NC[C@]2(C)CCCS2)cc1 ZINC000153259115 432396428 /nfs/dbraw/zinc/39/64/28/432396428.db2.gz OZPRHWUZGXIZHQ-KRWDZBQOSA-N 0 0 321.490 3.180 20 10 DGCDRN CN(C)c1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000271233940 432360162 /nfs/dbraw/zinc/36/01/62/432360162.db2.gz CWHZSMZKBOQJGL-ZWKOTPCHSA-N 0 0 314.429 3.434 20 10 DGCDRN C[C@H](Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccc(N(C)C)cc1 ZINC000271966301 432433143 /nfs/dbraw/zinc/43/31/43/432433143.db2.gz CZWZPYIRTKBGEN-ZDUSSCGKSA-N 0 0 324.428 3.116 20 10 DGCDRN Cc1cccc(C2=CCN(C(=O)c3cccc(O)c3O)CC2)c1 ZINC000193151944 432453586 /nfs/dbraw/zinc/45/35/86/432453586.db2.gz APNHRPHNLXXKRB-UHFFFAOYSA-N 0 0 309.365 3.336 20 10 DGCDRN C[C@]1(Cc2ccccc2)CCCN1C(=O)c1cccc(O)c1O ZINC000193166126 432456272 /nfs/dbraw/zinc/45/62/72/432456272.db2.gz XZFHHUCMEUASRR-LJQANCHMSA-N 0 0 311.381 3.335 20 10 DGCDRN CC(C)c1nnc([C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)[nH]1 ZINC000271586604 432420647 /nfs/dbraw/zinc/42/06/47/432420647.db2.gz XOUQQNOJPFVACF-CHWSQXEVSA-N 0 0 301.438 3.406 20 10 DGCDRN Cc1cc(Br)cc(CN(C)Cc2ccon2)c1O ZINC000271817258 432427194 /nfs/dbraw/zinc/42/71/94/432427194.db2.gz MUZUOQOKOIFSOD-UHFFFAOYSA-N 0 0 311.179 3.083 20 10 DGCDRN CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NCCc1ccc(N)cc1 ZINC000262573446 432490830 /nfs/dbraw/zinc/49/08/30/432490830.db2.gz GRPYEHLLYMGRRW-JLSDUUJJSA-N 0 0 318.461 3.301 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ccc(F)cc1[O-] ZINC000185525376 432508966 /nfs/dbraw/zinc/50/89/66/432508966.db2.gz ANUYZHYPJAYBSM-HIFRSBDPSA-N 0 0 303.377 3.348 20 10 DGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCC1CCC1 ZINC000175812377 432468557 /nfs/dbraw/zinc/46/85/57/432468557.db2.gz LOLAEDSDQQYKAV-UHFFFAOYSA-N 0 0 316.445 3.062 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCCC1(C)C ZINC000194470290 432553572 /nfs/dbraw/zinc/55/35/72/432553572.db2.gz CLIZGMVCXMGZAY-OCCSQVGLSA-N 0 0 305.418 3.361 20 10 DGCDRN CSCCCCCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000186175593 432565164 /nfs/dbraw/zinc/56/51/64/432565164.db2.gz XOOQNIGPOHPLDT-UHFFFAOYSA-N 0 0 309.479 3.085 20 10 DGCDRN COc1ccc(N2CCN(C(=O)C[C@@H]3C=CCCC3)CC2)cc1 ZINC000186058482 432555466 /nfs/dbraw/zinc/55/54/66/432555466.db2.gz SOEPXTDTIHLGRJ-MRXNPFEDSA-N 0 0 314.429 3.090 20 10 DGCDRN COc1cccc(CNC(=O)[C@@H]2CCCc3sccc32)c1O ZINC000155450108 432555576 /nfs/dbraw/zinc/55/55/76/432555576.db2.gz KXYUSFCIYBDVAS-CYBMUJFWSA-N 0 0 317.410 3.199 20 10 DGCDRN Cc1cnc([C@@H](C)NC(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000176361384 432514725 /nfs/dbraw/zinc/51/47/25/432514725.db2.gz KBOCVRGVEABHDF-GFCCVEGCSA-N 0 0 318.446 3.078 20 10 DGCDRN COc1ccc([C@@H](CCO)[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000185825978 432536330 /nfs/dbraw/zinc/53/63/30/432536330.db2.gz UEUOLYVCIRWIAQ-YVEFUNNKSA-N 0 0 319.376 3.314 20 10 DGCDRN COc1ccc2c(c1)CCN2C(=O)/C=C/c1scnc1C ZINC000186342791 432584671 /nfs/dbraw/zinc/58/46/71/432584671.db2.gz ZIQWOBLSNUIJCI-AATRIKPKSA-N 0 0 300.383 3.063 20 10 DGCDRN CN(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000186444362 432596164 /nfs/dbraw/zinc/59/61/64/432596164.db2.gz QLKHUOLCHHCVPA-FQEVSTJZSA-N 0 0 308.425 3.384 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)CC(C)(C)OC)c1 ZINC000273465326 432603023 /nfs/dbraw/zinc/60/30/23/432603023.db2.gz DQNJCAONSXECKN-NWDGAFQWSA-N 0 0 309.406 3.033 20 10 DGCDRN C[C@H]1CCC[C@@H]1CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000186833476 432633517 /nfs/dbraw/zinc/63/35/17/432633517.db2.gz IJWFERDTKIXRBR-UONOGXRCSA-N 0 0 302.418 3.304 20 10 DGCDRN CSc1ccccc1C(=O)N1CCSC2(CCOCC2)C1 ZINC000186843932 432634039 /nfs/dbraw/zinc/63/40/39/432634039.db2.gz WFHOVYHHVXZNNW-UHFFFAOYSA-N 0 0 323.483 3.147 20 10 DGCDRN Cc1ccc(C(=O)N(Cc2ccccc2F)C2CC2)c(O)c1O ZINC000177663299 432646890 /nfs/dbraw/zinc/64/68/90/432646890.db2.gz FIIKGQNSZHYTEK-UHFFFAOYSA-N 0 0 315.344 3.350 20 10 DGCDRN COc1cc(C)c(NCc2cc3c(cc2O)OCO3)cc1F ZINC000187488900 432668057 /nfs/dbraw/zinc/66/80/57/432668057.db2.gz SLTFJTYCCVYOPC-UHFFFAOYSA-N 0 0 305.305 3.189 20 10 DGCDRN CN(C)[C@@H](C[NH2+]Cc1cccc(Cl)c1[O-])c1cccs1 ZINC000159730625 432694490 /nfs/dbraw/zinc/69/44/90/432694490.db2.gz MDYMCBGSKMZUNK-ZDUSSCGKSA-N 0 0 310.850 3.500 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1ccc(F)cc1[O-] ZINC000227689473 432713518 /nfs/dbraw/zinc/71/35/18/432713518.db2.gz OZIQXJSTGMAOHJ-WDEREUQCSA-N 0 0 312.385 3.095 20 10 DGCDRN CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187754925 432683342 /nfs/dbraw/zinc/68/33/42/432683342.db2.gz DDANUTCSZLZXBW-SKDRFNHKSA-N 0 0 322.359 3.010 20 10 DGCDRN Cc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])c1 ZINC000187798255 432686491 /nfs/dbraw/zinc/68/64/91/432686491.db2.gz HFQZIYWHHRVICV-ABAIWWIYSA-N 0 0 307.340 3.363 20 10 DGCDRN CC[C@@H](C)c1nnc([C@@H](C)NCc2ccc(N(C)C)cc2)[nH]1 ZINC000276761889 432824222 /nfs/dbraw/zinc/82/42/22/432824222.db2.gz AJBJELKEGXWRSW-CHWSQXEVSA-N 0 0 301.438 3.235 20 10 DGCDRN C[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1ccc(F)c(F)c1[O-] ZINC000276901129 432826736 /nfs/dbraw/zinc/82/67/36/432826736.db2.gz JBMBRIBERQDIAX-YMTOWFKASA-N 0 0 311.303 3.194 20 10 DGCDRN C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000276904112 432827230 /nfs/dbraw/zinc/82/72/30/432827230.db2.gz JMNAULHAZZTKPP-GXTWGEPZSA-N 0 0 321.367 3.315 20 10 DGCDRN CC[C@H](C)[C@H]([NH2+]Cc1ccc(N(CC)CC)c(F)c1)C(=O)[O-] ZINC000277242792 432831238 /nfs/dbraw/zinc/83/12/38/432831238.db2.gz JHKXRRXNCYETOB-LRDDRELGSA-N 0 0 310.413 3.261 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]CC(C)(C)CC(=O)[O-])cc1F ZINC000277312841 432836638 /nfs/dbraw/zinc/83/66/38/432836638.db2.gz NOXRMRNVEIHMKF-UHFFFAOYSA-N 0 0 310.413 3.262 20 10 DGCDRN CC(=O)CCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000267813222 432836989 /nfs/dbraw/zinc/83/69/89/432836989.db2.gz FZIKOLRGRKTGBH-UHFFFAOYSA-N 0 0 302.418 3.005 20 10 DGCDRN CCS(=O)(=O)c1ccccc1NCc1ccc(N(C)C)cc1 ZINC000276344465 432799648 /nfs/dbraw/zinc/79/96/48/432799648.db2.gz SRGHFQHUGBHHFN-UHFFFAOYSA-N 0 0 318.442 3.158 20 10 DGCDRN Nc1ccc(CC(=O)N(Cc2ccc(F)cc2F)C2CC2)cc1 ZINC000237881307 432802892 /nfs/dbraw/zinc/80/28/92/432802892.db2.gz WYDGABYWNXGGTC-UHFFFAOYSA-N 0 0 316.351 3.281 20 10 DGCDRN Nc1ccc(CC(=O)N[C@@H](c2ccccc2)c2ccncc2)cc1 ZINC000237911460 432803842 /nfs/dbraw/zinc/80/38/42/432803842.db2.gz LGQMKQVNUUPJFN-FQEVSTJZSA-N 0 0 317.392 3.112 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cncc(F)c1 ZINC000268420166 432869670 /nfs/dbraw/zinc/86/96/70/432869670.db2.gz KXNRHKKHBUVBHT-UHFFFAOYSA-N 0 0 315.392 3.338 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000278240748 432889804 /nfs/dbraw/zinc/88/98/04/432889804.db2.gz NUADWDQMXDEXNV-YPMHNXCESA-N 0 0 306.362 3.074 20 10 DGCDRN C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000278332577 432891538 /nfs/dbraw/zinc/89/15/38/432891538.db2.gz WNZYDVOJKAGDLS-RRAGMBSWSA-N 0 0 318.122 3.273 20 10 DGCDRN C[C@H](CCCC(=O)[O-])[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000277380589 432843760 /nfs/dbraw/zinc/84/37/60/432843760.db2.gz QUYQWEAGYCGRMT-OAHLLOKOSA-N 0 0 304.434 3.410 20 10 DGCDRN CC(C)(C)CNC(=O)NCc1cccc(Br)c1O ZINC000277421408 432847873 /nfs/dbraw/zinc/84/78/73/432847873.db2.gz LEPKPRUOCFQFQE-UHFFFAOYSA-N 0 0 315.211 3.000 20 10 DGCDRN O=C(CC1CCCC1)NCc1cccc(Br)c1O ZINC000277458018 432850971 /nfs/dbraw/zinc/85/09/71/432850971.db2.gz GRWUDYXGIIPUHX-UHFFFAOYSA-N 0 0 312.207 3.351 20 10 DGCDRN CC[C@H](C)c1nnc([C@@H](C)NCc2ccc(OC)c(C)c2)[nH]1 ZINC000277489537 432854555 /nfs/dbraw/zinc/85/45/55/432854555.db2.gz UCYXNTCDEPXISY-WCQYABFASA-N 0 0 302.422 3.486 20 10 DGCDRN C[C@H](NCc1ncc(C(F)(F)F)cn1)c1ccc(N(C)C)cc1 ZINC000296584776 432922951 /nfs/dbraw/zinc/92/29/51/432922951.db2.gz UPZQEZGNQPVYKB-NSHDSACASA-N 0 0 324.350 3.412 20 10 DGCDRN CCn1nccc1C1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC000279169828 432942391 /nfs/dbraw/zinc/94/23/91/432942391.db2.gz BQAVYTSFNRTASM-UHFFFAOYSA-N 0 0 303.381 3.127 20 10 DGCDRN C[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1ccc(F)cc1[O-] ZINC000289673068 432971030 /nfs/dbraw/zinc/97/10/30/432971030.db2.gz HIHNDBQICZQGGE-BOFPYLFWSA-N 0 0 315.388 3.348 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCCc3occc3C2)cc1 ZINC000289655899 432971078 /nfs/dbraw/zinc/97/10/78/432971078.db2.gz FEMSTAUIOKBDOG-UHFFFAOYSA-N 0 0 313.401 3.004 20 10 DGCDRN CC(C)(C)c1ncc(/C=C/C(=O)NCc2ccc(N)cc2)s1 ZINC000297193626 432971863 /nfs/dbraw/zinc/97/18/63/432971863.db2.gz MDNZZJLJFVNXJH-CMDGGOBGSA-N 0 0 315.442 3.352 20 10 DGCDRN Cc1noc([C@@H]2CCCN2Cc2cc(Cl)cc(C)c2O)n1 ZINC000289717686 432973353 /nfs/dbraw/zinc/97/33/53/432973353.db2.gz GYVOYGUGEGBEMV-ZDUSSCGKSA-N 0 0 307.781 3.383 20 10 DGCDRN COCc1nc(C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])cs1 ZINC000289911012 432978791 /nfs/dbraw/zinc/97/87/91/432978791.db2.gz UJAPVNRXZLDMLD-MRVPVSSYSA-N 0 0 314.357 3.124 20 10 DGCDRN Cc1cc(C(=O)N(C)CCCCCO)c(C)n1-c1ccccc1 ZINC000279355237 432958094 /nfs/dbraw/zinc/95/80/94/432958094.db2.gz CJNCBCQIABFDIP-UHFFFAOYSA-N 0 0 314.429 3.329 20 10 DGCDRN CCOCc1nc([C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)no1 ZINC000290214348 433013958 /nfs/dbraw/zinc/01/39/58/433013958.db2.gz QEKMQCDAIICULP-STQMWFEESA-N 0 0 318.421 3.084 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1COc2ccccc2[C@H]1O)c1ccc(F)cc1[O-] ZINC000290243976 433019822 /nfs/dbraw/zinc/01/98/22/433019822.db2.gz JIZUDAIZFAKBNX-HDMKZQKVSA-N 0 0 317.360 3.067 20 10 DGCDRN C[C@H]1c2nnc(C3CCCC3)n2CCN1Cc1ccccc1O ZINC000290458356 433056535 /nfs/dbraw/zinc/05/65/35/433056535.db2.gz MXESQPKIABMPCL-ZDUSSCGKSA-N 0 0 312.417 3.218 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)C[C@H]1CCCC[C@@H]1O ZINC000280734578 433156369 /nfs/dbraw/zinc/15/63/69/433156369.db2.gz IVJDLGHLISTGHN-ZBFHGGJFSA-N 0 0 305.418 3.072 20 10 DGCDRN Cc1cc(O)c(CNc2ccc(-c3cncnc3)cn2)cc1C ZINC000373960254 433169293 /nfs/dbraw/zinc/16/92/93/433169293.db2.gz ZOGKSCZLYQIVKY-UHFFFAOYSA-N 0 0 306.369 3.473 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1=C(C)OCCS1 ZINC000280939891 433232399 /nfs/dbraw/zinc/23/23/99/433232399.db2.gz LGXNHMREOCPMAI-UHFFFAOYSA-N 0 0 320.458 3.096 20 10 DGCDRN COc1cccc(CN2CCC(C)=C(Br)C2)c1O ZINC000281087661 433263043 /nfs/dbraw/zinc/26/30/43/433263043.db2.gz JVYBRDFFTRGJSA-UHFFFAOYSA-N 0 0 312.207 3.275 20 10 DGCDRN Cc1noc(C2(C)CC[NH+](Cc3cccc(Cl)c3[O-])CC2)n1 ZINC000374738760 433267684 /nfs/dbraw/zinc/26/76/84/433267684.db2.gz WIQALUTZAVAIHY-UHFFFAOYSA-N 0 0 321.808 3.291 20 10 DGCDRN Cc1ccoc1CN(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000291889256 433383207 /nfs/dbraw/zinc/38/32/07/433383207.db2.gz OZOYDHBKHFKLJI-UHFFFAOYSA-N 0 0 319.380 3.135 20 10 DGCDRN CC1CCN(c2ccc(CNc3ncnc4n[nH]cc43)cc2)CC1 ZINC000301210556 433457205 /nfs/dbraw/zinc/45/72/05/433457205.db2.gz TUBQVPXIKUTXTN-UHFFFAOYSA-N 0 0 322.416 3.201 20 10 DGCDRN CC(=O)C1(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000292664242 433586418 /nfs/dbraw/zinc/58/64/18/433586418.db2.gz DEOGBPQDBPWZFB-UHFFFAOYSA-N 0 0 314.429 3.005 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)C[C@H]1CCCCO1 ZINC000282388652 433587663 /nfs/dbraw/zinc/58/76/63/433587663.db2.gz DKMHIPBDOKSLML-MRXNPFEDSA-N 0 0 305.418 3.480 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1ccc(F)c(F)c1[O-] ZINC000282552670 433614004 /nfs/dbraw/zinc/61/40/04/433614004.db2.gz XIZHIDGLKOVDGZ-ZANVPECISA-N 0 0 307.344 3.132 20 10 DGCDRN CCc1cc2c(ncnc2NCCc2ccc(O)c(O)c2)s1 ZINC000301576916 433617562 /nfs/dbraw/zinc/61/75/62/433617562.db2.gz MOKBQHVOZJUAHS-UHFFFAOYSA-N 0 0 315.398 3.320 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ccc2c(c1)CCCC2=O ZINC000293356899 433710883 /nfs/dbraw/zinc/71/08/83/433710883.db2.gz LFHSMHUEBWIEJH-UHFFFAOYSA-N 0 0 309.365 3.183 20 10 DGCDRN Oc1ccc(CCNc2nc(C(F)(F)F)cs2)cc1O ZINC000301777091 433719451 /nfs/dbraw/zinc/71/94/51/433719451.db2.gz RIUKOJOBEDTVEK-UHFFFAOYSA-N 0 0 304.293 3.228 20 10 DGCDRN O=c1[nH]c(NCCCSc2nccs2)nc2ccccc21 ZINC000301794043 433727944 /nfs/dbraw/zinc/72/79/44/433727944.db2.gz SENFQGYHCMGFHG-UHFFFAOYSA-N 0 0 318.427 3.386 20 10 DGCDRN CCc1nc(C)c(C(=O)N(CC)Cc2ccc(N(C)C)cc2)o1 ZINC000293494585 433756893 /nfs/dbraw/zinc/75/68/93/433756893.db2.gz ZGVXCOGBBFFZAM-UHFFFAOYSA-N 0 0 315.417 3.274 20 10 DGCDRN Cc1cnc(NCc2ccc(N3CCC(O)CC3)c(F)c2)s1 ZINC000302099596 433813748 /nfs/dbraw/zinc/81/37/48/433813748.db2.gz KSCPJJLCFRGZKW-UHFFFAOYSA-N 0 0 321.421 3.164 20 10 DGCDRN CC1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1c1cccnc1 ZINC000293896889 433914475 /nfs/dbraw/zinc/91/44/75/433914475.db2.gz QXLMFXMHIZELGZ-IWHGQQBYSA-N 0 0 324.380 3.116 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@H](O)c1ccccc1 ZINC000293966681 433943830 /nfs/dbraw/zinc/94/38/30/433943830.db2.gz QHRIYNIWLGROMM-QFYYESIMSA-N 0 0 309.768 3.396 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)[C@@H](C)C(C)(C)C)CC2)cc1 ZINC000363224199 433998566 /nfs/dbraw/zinc/99/85/66/433998566.db2.gz RZJNYJVOIZSLIV-OAHLLOKOSA-N 0 0 318.461 3.416 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000378142739 434094080 /nfs/dbraw/zinc/09/40/80/434094080.db2.gz URIIXQFWHHFEEW-MRXNPFEDSA-N 0 0 318.373 3.074 20 10 DGCDRN CCc1ccc([C@H]2CCN(C(=O)c3cccc(O)c3O)C2)cc1 ZINC000294408371 434111032 /nfs/dbraw/zinc/11/10/32/434111032.db2.gz FDTMLKKLHDEUSH-HNNXBMFYSA-N 0 0 311.381 3.290 20 10 DGCDRN CCc1ccc([C@@H]2CCN(C(=O)c3cccc(O)c3O)C2)cc1 ZINC000294408376 434111680 /nfs/dbraw/zinc/11/16/80/434111680.db2.gz FDTMLKKLHDEUSH-OAHLLOKOSA-N 0 0 311.381 3.290 20 10 DGCDRN CC1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]2CCC[C@H]21 ZINC000294874448 434151350 /nfs/dbraw/zinc/15/13/50/434151350.db2.gz UBWJWWZCJDOVHR-BIYBCCJYSA-N 0 0 301.386 3.148 20 10 DGCDRN Oc1ccc(Br)cc1C[NH+]1CCC(CF)CC1 ZINC000295039761 434163496 /nfs/dbraw/zinc/16/34/96/434163496.db2.gz MMUUUJSJDSIQSS-UHFFFAOYSA-N 0 0 302.187 3.336 20 10 DGCDRN Cc1ccc(C)c(CC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000437025996 434206759 /nfs/dbraw/zinc/20/67/59/434206759.db2.gz NCFIJGSUSJEYLL-UHFFFAOYSA-N 0 0 324.424 3.338 20 10 DGCDRN C[C@H](C(=O)NCc1cccc(Br)c1O)C(C)(F)F ZINC000295232200 434268075 /nfs/dbraw/zinc/26/80/75/434268075.db2.gz CYDOUJJDNNAOPC-SSDOTTSWSA-N 0 0 322.149 3.062 20 10 DGCDRN COC(=O)c1cnc(SCCCC2CCOCC2)s1 ZINC000295355127 434324300 /nfs/dbraw/zinc/32/43/00/434324300.db2.gz RCZJVCANKBTNEQ-UHFFFAOYSA-N 0 0 301.433 3.229 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000366757335 434503000 /nfs/dbraw/zinc/50/30/00/434503000.db2.gz RTEXWOOQTXOZMS-AYJWMTRPSA-N 0 0 309.365 3.416 20 10 DGCDRN Cc1ccc(O)c(CNc2nnc(C3CCOCC3)s2)c1 ZINC000295954969 434453013 /nfs/dbraw/zinc/45/30/13/434453013.db2.gz LTTRDHZVJSVKLI-UHFFFAOYSA-N 0 0 305.403 3.058 20 10 DGCDRN CCCc1nccn1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000296160802 434529539 /nfs/dbraw/zinc/52/95/39/434529539.db2.gz YQMZEVUADKHPBM-UHFFFAOYSA-N 0 0 313.445 3.499 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC000367047489 434535244 /nfs/dbraw/zinc/53/52/44/434535244.db2.gz JWDIECWFONOARZ-AWEZNQCLSA-N 0 0 302.201 3.454 20 10 DGCDRN COc1ccc(O)c(CN2CCSC[C@H]2c2nccs2)c1 ZINC000186639635 295166090 /nfs/dbraw/zinc/16/60/90/295166090.db2.gz AREZOJDVTZKRLU-ZDUSSCGKSA-N 0 0 322.455 3.147 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@](O)(C3CC3)C2)cc1 ZINC000368473016 434574735 /nfs/dbraw/zinc/57/47/35/434574735.db2.gz CMLDMLLOASVBSK-HXUWFJFHSA-N 0 0 324.424 3.081 20 10 DGCDRN CSCC(C)(C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000410071452 434632284 /nfs/dbraw/zinc/63/22/84/434632284.db2.gz CNHWNTSAULUQCZ-UHFFFAOYSA-N 0 0 304.459 3.492 20 10 DGCDRN Cc1nc([C@@H]2CCCCN2Cc2ccc(N(C)C)c(F)c2)no1 ZINC000372435619 434828259 /nfs/dbraw/zinc/82/82/59/434828259.db2.gz MILVFOJFWAFQFB-INIZCTEOSA-N 0 0 318.396 3.310 20 10 DGCDRN CCN(C(=O)/C=C\c1ccccc1-n1cccn1)c1ccncc1 ZINC000492028053 434902818 /nfs/dbraw/zinc/90/28/18/434902818.db2.gz CGFOFTDFMOQSTI-HJWRWDBZSA-N 0 0 318.380 3.334 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+]Cc2cccnc2C)c1 ZINC000527794056 435015066 /nfs/dbraw/zinc/01/50/66/435015066.db2.gz RVCQBSSMXIXOBZ-UHFFFAOYSA-N 0 0 321.218 3.456 20 10 DGCDRN CCn1nncc1C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000527917256 435017613 /nfs/dbraw/zinc/01/76/13/435017613.db2.gz SLADISDCXIKBIB-QMMMGPOBSA-N 0 0 315.204 3.161 20 10 DGCDRN Cc1ccncc1/C=C\C(=O)N1C[C@@H](C)C(=O)Nc2ccccc21 ZINC000492527871 435003635 /nfs/dbraw/zinc/00/36/35/435003635.db2.gz GJRKTYYQZFNJJK-WBTMPAOCSA-N 0 0 321.380 3.025 20 10 DGCDRN CCN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])c1cccnc1C ZINC000492999281 435088262 /nfs/dbraw/zinc/08/82/62/435088262.db2.gz ZYVPERIUBVUTAI-ZHACJKMWSA-N 0 0 311.341 3.365 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C\c2cncs2)cc1Cl ZINC000493084545 435105286 /nfs/dbraw/zinc/10/52/86/435105286.db2.gz LIMIELNGFBWUKY-XQRVVYSFSA-N 0 0 308.790 3.481 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC12CCCCC2 ZINC000476989083 435251235 /nfs/dbraw/zinc/25/12/35/435251235.db2.gz WXIBJASUKYZLFS-OAHLLOKOSA-N 0 0 314.429 3.448 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1ccc(C)cn1 ZINC000564894971 435275451 /nfs/dbraw/zinc/27/54/51/435275451.db2.gz ATZWFEAFNKQGJS-UHFFFAOYSA-N 0 0 322.412 3.190 20 10 DGCDRN CCC[C@@H](NCc1c(C)c2ccccc2n1C)C(=O)OCC ZINC000481569131 435432648 /nfs/dbraw/zinc/43/26/48/435432648.db2.gz DCJMOUHKCUUBBL-OAHLLOKOSA-N 0 0 302.418 3.308 20 10 DGCDRN CCN(C(=O)/C=C\c1cncc(F)c1)c1cccc(OC)c1 ZINC000491518328 435763343 /nfs/dbraw/zinc/76/33/43/435763343.db2.gz BRWAIAHUYKGNLY-FPLPWBNLSA-N 0 0 300.333 3.296 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C/c2cccnc2)cc1Cl ZINC000160119696 332762995 /nfs/dbraw/zinc/76/29/95/332762995.db2.gz WVMKBKCBKTUSGF-VMPITWQZSA-N 0 0 302.761 3.420 20 10 DGCDRN CCN(C(=O)/C=C\c1cnn(-c2ccccc2)c1)c1cccnc1 ZINC000255363690 331735154 /nfs/dbraw/zinc/73/51/54/331735154.db2.gz IIEKVDOZQZIZIH-KHPPLWFESA-N 0 0 318.380 3.334 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@@H]1C1CC1 ZINC000363474211 332096090 /nfs/dbraw/zinc/09/60/90/332096090.db2.gz KABYREVROJFEJD-GOSISDBHSA-N 0 0 313.445 3.371 20 10 DGCDRN COCC1(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000293597732 335109704 /nfs/dbraw/zinc/10/97/04/335109704.db2.gz DDVCPZULJITCDI-GFCCVEGCSA-N 0 0 308.378 3.158 20 10 DGCDRN C[C@@H]1CN(C(=O)c2cccc(O)c2O)CC[C@@H]1c1ccccc1 ZINC000185737785 337251017 /nfs/dbraw/zinc/25/10/17/337251017.db2.gz LWIFLQVGEYJTTD-HIFRSBDPSA-N 0 0 311.381 3.364 20 10 DGCDRN CCN(C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])c1ccncc1 ZINC000117663051 337848446 /nfs/dbraw/zinc/84/84/46/337848446.db2.gz HVNIKUQIBGDNHW-GQCTYLIASA-N 0 0 315.304 3.195 20 10 DGCDRN Cc1ncsc1/C=C/C(=O)N1CCOc2cccc(F)c21 ZINC000186798517 340515991 /nfs/dbraw/zinc/51/59/91/340515991.db2.gz YLDBWHPSSNENHS-AATRIKPKSA-N 0 0 304.346 3.029 20 10 DGCDRN C[C@@H]1CCC[C@@H]1CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000186833456 340516260 /nfs/dbraw/zinc/51/62/60/340516260.db2.gz IJWFERDTKIXRBR-ZIAGYGMSSA-N 0 0 302.418 3.304 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@@H](C)c2ccco2)c1 ZINC000528859013 340737141 /nfs/dbraw/zinc/73/71/41/340737141.db2.gz FUEOKLSJDFVDRD-NEPJUHHUSA-N 0 0 303.358 3.365 20 10 DGCDRN C[C@@H]1CC[C@H](CC(=O)N2CCOc3cc(N(C)C)ccc32)C1 ZINC000132481948 341124316 /nfs/dbraw/zinc/12/43/16/341124316.db2.gz FOMLPAOJANRBLM-KGLIPLIRSA-N 0 0 302.418 3.304 20 10 DGCDRN CN(C(=O)/C=C/c1c(Cl)nc2ccccn21)c1ccccn1 ZINC000134577572 341218791 /nfs/dbraw/zinc/21/87/91/341218791.db2.gz AMUXBDIWJQAFPN-CMDGGOBGSA-N 0 0 312.760 3.059 20 10 DGCDRN CC(C)C[C@@H](CCO)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001474021053 1183851130 /nfs/dbraw/zinc/85/11/30/1183851130.db2.gz JMVXURDWJLWAPW-LLVKDONJSA-N 0 0 303.805 3.319 20 10 DGCDRN COC(=O)c1occc1CNCc1c(C)c2ccccc2n1C ZINC000355124175 534387639 /nfs/dbraw/zinc/38/76/39/534387639.db2.gz KRXHFHKYDQXHOT-UHFFFAOYSA-N 0 0 312.369 3.156 20 10 DGCDRN CC(C)=CCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000190567750 519429773 /nfs/dbraw/zinc/42/97/73/519429773.db2.gz SELKXXHDZYPKKH-INIZCTEOSA-N 0 0 318.417 3.049 20 10 DGCDRN CC(C)COc1ccc(CNC(=O)Cc2ccc(N)cc2)cc1 ZINC000236675530 519762943 /nfs/dbraw/zinc/76/29/43/519762943.db2.gz LJXUORZZJFPZKI-UHFFFAOYSA-N 0 0 312.413 3.163 20 10 DGCDRN CC(C)Oc1ccc(N(C)CCCS(=O)(=O)C(C)C)cc1 ZINC000191578845 519780330 /nfs/dbraw/zinc/78/03/30/519780330.db2.gz ONGLJBQUKURUAZ-UHFFFAOYSA-N 0 0 313.463 3.123 20 10 DGCDRN CC(Cl)(Cl)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000179883775 520155275 /nfs/dbraw/zinc/15/52/75/520155275.db2.gz ALFVMSDVDOFLHX-UHFFFAOYSA-N 0 0 301.217 3.097 20 10 DGCDRN CCO[C@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)C12CCCCC2 ZINC000236983221 520570016 /nfs/dbraw/zinc/57/00/16/520570016.db2.gz VRQVVAZDYYZDHC-IRXDYDNUSA-N 0 0 316.445 3.055 20 10 DGCDRN CCN(Cc1cn(C(C)(C)C)nn1)Cc1ccc(N(C)C)cc1 ZINC000191156475 521427840 /nfs/dbraw/zinc/42/78/40/521427840.db2.gz YJXVUDQUTOHKIZ-UHFFFAOYSA-N 0 0 315.465 3.121 20 10 DGCDRN CCCN(CCC)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000264775343 521630383 /nfs/dbraw/zinc/63/03/83/521630383.db2.gz SOOSWWATQMMHPW-JXMROGBWSA-N 0 0 316.445 3.185 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2ccc3c(c2)N(C)CC3)cc1 ZINC000180271384 522199968 /nfs/dbraw/zinc/19/99/68/522199968.db2.gz DORQCBPSWJIXNR-UHFFFAOYSA-N 0 0 324.428 3.067 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cccc([C@H]3CCOC3)c2)cc1 ZINC000270546067 522206262 /nfs/dbraw/zinc/20/62/62/522206262.db2.gz ZJAYRHNCDPVVAC-SFHVURJKSA-N 0 0 324.424 3.187 20 10 DGCDRN CCc1nc([C@@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)cs1 ZINC000181069873 522411137 /nfs/dbraw/zinc/41/11/37/522411137.db2.gz QIZDOBPHOOTVPW-BREXMAIKSA-N 0 0 318.398 3.007 20 10 DGCDRN CC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1nc(C)cs1 ZINC000180757275 522658132 /nfs/dbraw/zinc/65/81/32/522658132.db2.gz PHEUJMXYDBZGQO-HOSRBBHYSA-N 0 0 318.398 3.143 20 10 DGCDRN C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1cccc(Cl)c1[O-] ZINC000180503286 523277307 /nfs/dbraw/zinc/27/73/07/523277307.db2.gz DNMSKUYSJSQCEE-NRFANRHFSA-N 0 0 323.845 3.415 20 10 DGCDRN CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CCc2ccccc2C1 ZINC000180781899 523771635 /nfs/dbraw/zinc/77/16/35/523771635.db2.gz ABTMRDKXSZZKOB-VDZSZVPASA-N 0 0 323.392 3.127 20 10 DGCDRN CN1Cc2ccccc2[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000365170597 524029738 /nfs/dbraw/zinc/02/97/38/524029738.db2.gz LMXQYLQMTXSLNB-OAHLLOKOSA-N 0 0 320.795 3.461 20 10 DGCDRN COc1ccc(CNCc2csc([C@@H](C)OC)n2)cc1C ZINC000267638623 524073274 /nfs/dbraw/zinc/07/32/74/524073274.db2.gz QDEJAMJCKNSXQB-GFCCVEGCSA-N 0 0 306.431 3.457 20 10 DGCDRN COc1ccc(C[C@@H](C)C(=O)N(C)Cc2ccccc2O)cc1 ZINC000129611441 524129249 /nfs/dbraw/zinc/12/92/49/524129249.db2.gz AZGHWHPNUIPGRD-CQSZACIVSA-N 0 0 313.397 3.238 20 10 DGCDRN Cc1ccc(C)c(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000190905027 524149319 /nfs/dbraw/zinc/14/93/19/524149319.db2.gz MQAJPKRVQYKQPD-CYBMUJFWSA-N 0 0 314.385 3.467 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC2(C)CCOCC2)cc1 ZINC000129987649 524217912 /nfs/dbraw/zinc/21/79/12/524217912.db2.gz JASIWFXXKFVHPO-UHFFFAOYSA-N 0 0 312.413 3.393 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)CCCO ZINC000123397479 524220088 /nfs/dbraw/zinc/22/00/88/524220088.db2.gz NBMNCYZJHZQHNZ-NSHDSACASA-N 0 0 306.431 3.046 20 10 DGCDRN Cc1cc(C)c(NC(=O)NCCc2ccc(O)c(O)c2)c(C)c1 ZINC000128441482 524296195 /nfs/dbraw/zinc/29/61/95/524296195.db2.gz YJNMOWOTXNIJSV-UHFFFAOYSA-N 0 0 314.385 3.387 20 10 DGCDRN C[C@@H](CC(=O)NCCc1ccc(N)cc1)c1ccc(F)cc1 ZINC000269150911 524371741 /nfs/dbraw/zinc/37/17/41/524371741.db2.gz RCENSDZWYLOXIA-ZDUSSCGKSA-N 0 0 300.377 3.260 20 10 DGCDRN Cc1cccc(CNc2ccccc2N2CCC(O)CC2)c1O ZINC000180052785 524443754 /nfs/dbraw/zinc/44/37/54/524443754.db2.gz JSGBHWOWRCDGQV-UHFFFAOYSA-N 0 0 312.413 3.274 20 10 DGCDRN Cc1cccc(C[C@H](CO)[NH2+]Cc2cccc(Cl)c2[O-])c1 ZINC000191683817 524469049 /nfs/dbraw/zinc/46/90/49/524469049.db2.gz OLYXUPPLRAWTGK-OAHLLOKOSA-N 0 0 305.805 3.047 20 10 DGCDRN C[C@@H]1CCc2c(C(=O)NCc3ccc(O)c(O)c3)csc2C1 ZINC000159115469 524720669 /nfs/dbraw/zinc/72/06/69/524720669.db2.gz AQWOGMRHMNCAHO-SNVBAGLBSA-N 0 0 317.410 3.214 20 10 DGCDRN Cc1cccc(OCCCC(=O)NCCc2ccc(N)cc2)c1 ZINC000237705878 524730822 /nfs/dbraw/zinc/73/08/22/524730822.db2.gz UHOCLJUAWCEETL-UHFFFAOYSA-N 0 0 312.413 3.095 20 10 DGCDRN Cc1nc(C)c(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)o1 ZINC000266183904 534880673 /nfs/dbraw/zinc/88/06/73/534880673.db2.gz VPNGHGAMNDLCFD-UHFFFAOYSA-N 0 0 315.417 3.408 20 10 DGCDRN CS[C@@H](C)CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000152875841 525787612 /nfs/dbraw/zinc/78/76/12/525787612.db2.gz XDMOSKQDGQTBDF-DZGCQCFKSA-N 0 0 323.458 3.041 20 10 DGCDRN COc1cccc(CNC(=O)Nc2ncc(C(C)C)s2)c1O ZINC000192387587 525993692 /nfs/dbraw/zinc/99/36/92/525993692.db2.gz JRFGGOFKRDFWBL-UHFFFAOYSA-N 0 0 321.402 3.302 20 10 DGCDRN COc1cccc(CNC(=O)[C@@H](c2ccccc2)C2CC2)c1O ZINC000158643599 525994457 /nfs/dbraw/zinc/99/44/57/525994457.db2.gz WSODJQWHMYRFFE-KRWDZBQOSA-N 0 0 311.381 3.211 20 10 DGCDRN COc1cccc(CNC(=O)[C@H](C)Cc2ccccc2F)c1O ZINC000131033239 525998787 /nfs/dbraw/zinc/99/87/87/525998787.db2.gz DQXBKIDRIIUKPH-GFCCVEGCSA-N 0 0 317.360 3.035 20 10 DGCDRN Cc1ccc(C(=O)N2CCC(c3ccsc3)CC2)c(O)c1O ZINC000189256111 526086989 /nfs/dbraw/zinc/08/69/89/526086989.db2.gz GMBSXNGPAAKOIV-UHFFFAOYSA-N 0 0 317.410 3.488 20 10 DGCDRN Cc1ccc(C)c(C(=O)CCC(=O)NCCc2ccc(N)cc2)c1 ZINC000237639944 526258560 /nfs/dbraw/zinc/25/85/60/526258560.db2.gz IXWDBYBOAWFFPJ-UHFFFAOYSA-N 0 0 324.424 3.207 20 10 DGCDRN O=C(CC1CCCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000248004952 526353333 /nfs/dbraw/zinc/35/33/33/526353333.db2.gz SPLTYZJOUGQXAY-KRWDZBQOSA-N 0 0 317.429 3.480 20 10 DGCDRN Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc(O)c2O)s1 ZINC000188436487 526740283 /nfs/dbraw/zinc/74/02/83/526740283.db2.gz GHQHBCUCALQUCP-SECBINFHSA-N 0 0 306.387 3.004 20 10 DGCDRN CC(C)(C)c1cnc(SCCn2ccc([N+](=O)[O-])n2)s1 ZINC000164037378 526828015 /nfs/dbraw/zinc/82/80/15/526828015.db2.gz LTBMZYXLXVHWCL-UHFFFAOYSA-N 0 0 312.420 3.338 20 10 DGCDRN Cn1c(-c2ccccc2)cnc1SC[C@H](O)CC(F)(F)F ZINC000189331913 527017045 /nfs/dbraw/zinc/01/70/45/527017045.db2.gz BQBMHBIKYUFAPP-LLVKDONJSA-N 0 0 316.348 3.493 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2CCOc3c(F)cccc32)c1 ZINC000191120610 527371338 /nfs/dbraw/zinc/37/13/38/527371338.db2.gz BDXVXUHADWDXGE-AWEZNQCLSA-N 0 0 318.304 3.053 20 10 DGCDRN CCOc1ccc(O)c(CNc2ccc(C(=O)N(C)C)cc2)c1 ZINC000284205830 535753053 /nfs/dbraw/zinc/75/30/53/535753053.db2.gz BWZBYQFPSIRUOI-UHFFFAOYSA-N 0 0 314.385 3.105 20 10 DGCDRN CC[C@@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)c1cccc(Cl)c1[O-] ZINC000286866573 535808118 /nfs/dbraw/zinc/80/81/18/535808118.db2.gz BLZWRRRPOOJURA-ZIAGYGMSSA-N 0 0 322.836 3.288 20 10 DGCDRN CC[C@H]([NH2+]Cc1nncn1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000287285990 535923178 /nfs/dbraw/zinc/92/31/78/535923178.db2.gz BTEHWCJTONNGJJ-NSHDSACASA-N 0 0 315.204 3.068 20 10 DGCDRN CN(C(=O)/C=C\c1cnn(-c2ccccc2)c1)c1cccc(F)n1 ZINC000493856302 535939392 /nfs/dbraw/zinc/93/93/92/535939392.db2.gz LPNWVEJVPFPVPX-KHPPLWFESA-N 0 0 322.343 3.083 20 10 DGCDRN CN1C(=O)/C(=C/c2cn(C(C)(C)C)nn2)c2cc(Cl)ccc21 ZINC000282948790 536305494 /nfs/dbraw/zinc/30/54/94/536305494.db2.gz HLXYPXOZVVTDND-MDWZMJQESA-N 0 0 316.792 3.204 20 10 DGCDRN COC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(C)o1 ZINC000273610909 536877797 /nfs/dbraw/zinc/87/77/97/536877797.db2.gz VTVFBHRIDKKGAY-FZMZJTMJSA-N 0 0 320.345 3.240 20 10 DGCDRN COc1cc2c(c(OC)c1)N(C(=O)/C=C/c1cccnc1)CCC2 ZINC000493594607 536888217 /nfs/dbraw/zinc/88/82/17/536888217.db2.gz ZUQUCYRWKSTIGA-BQYQJAHWSA-N 0 0 324.380 3.091 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccoc1Cl ZINC000192410302 546231001 /nfs/dbraw/zinc/23/10/01/546231001.db2.gz HZXGRZWIQNOXOC-UHFFFAOYSA-N 0 0 304.777 3.463 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2CCCc3cccnc32)cc1 ZINC000195345900 546254834 /nfs/dbraw/zinc/25/48/34/546254834.db2.gz KQWCERARUIWWEO-SFHVURJKSA-N 0 0 323.440 3.226 20 10 DGCDRN Cc1cc(C(=O)O[C@H]2CCOC2)c(C)n1-c1ccc(F)cc1 ZINC000730400687 574528706 /nfs/dbraw/zinc/52/87/06/574528706.db2.gz NHQGFLRPEGEDCO-HNNXBMFYSA-N 0 0 303.333 3.179 20 10 DGCDRN CNC(=O)c1ccc(CN2CCCc3cc(OC)ccc32)cc1 ZINC000731354381 574547651 /nfs/dbraw/zinc/54/76/51/574547651.db2.gz KKVZNAQEXFCOPU-UHFFFAOYSA-N 0 0 310.397 3.008 20 10 DGCDRN C[C@H]1CCN1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000731121308 574544041 /nfs/dbraw/zinc/54/40/41/574544041.db2.gz QOZWJEQVSNTMIH-HNNXBMFYSA-N 0 0 301.434 3.227 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H](C)C2CC2)cc1F ZINC000731364893 574547890 /nfs/dbraw/zinc/54/78/90/574547890.db2.gz RPSSAQYRYSEQDT-GFCCVEGCSA-N 0 0 307.413 3.270 20 10 DGCDRN Cc1cc(C)c(C(=O)COC(=O)C2=CC(=O)CS2)cc1C ZINC000731911887 574561857 /nfs/dbraw/zinc/56/18/57/574561857.db2.gz MWSXUCTZXDJUKO-UHFFFAOYSA-N 0 0 304.367 3.419 20 10 DGCDRN O=C(Nc1nnc(Cc2ccccc2)s1)C1=CC(=O)CS1 ZINC000732266603 574569700 /nfs/dbraw/zinc/56/97/00/574569700.db2.gz GQRQWRCGIUZATJ-UHFFFAOYSA-N 0 0 317.395 3.148 20 10 DGCDRN CN(C)c1ccc2cc(NC(=O)C3=CC(=O)CS3)ccc2n1 ZINC000732277884 574570131 /nfs/dbraw/zinc/57/01/31/574570131.db2.gz VFTNPENYHOQVRF-UHFFFAOYSA-N 0 0 313.382 3.320 20 10 DGCDRN O=C(NCCc1c[nH]c2cc(F)ccc12)C1=CC(=O)CS1 ZINC000732279341 574570633 /nfs/dbraw/zinc/57/06/33/574570633.db2.gz JQZRLQJWRIBJLT-UHFFFAOYSA-N 0 0 304.346 3.047 20 10 DGCDRN C[C@@H](NC(=O)C1=CC(=O)CS1)c1nc2cc(Cl)ccc2[nH]1 ZINC000732580218 574576232 /nfs/dbraw/zinc/57/62/32/574576232.db2.gz YSFUJXJXVSRDQA-SSDOTTSWSA-N 0 0 321.789 3.474 20 10 DGCDRN Cc1ccn2cc(CNCc3c(O)cccc3Cl)nc2c1 ZINC000733326858 574616295 /nfs/dbraw/zinc/61/62/95/574616295.db2.gz GOTSQZCRALYYAR-UHFFFAOYSA-N 0 0 301.777 3.292 20 10 DGCDRN CCn1cc(C[N@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)cn1 ZINC000733790067 574637826 /nfs/dbraw/zinc/63/78/26/574637826.db2.gz BOXFKYDSWLNBGS-UHFFFAOYSA-N 0 0 317.433 3.244 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CO[C@@H]1CCCC[C@H]1C ZINC000734406244 574660046 /nfs/dbraw/zinc/66/00/46/574660046.db2.gz OFIQJAGJZWVLPO-RDTXWAMCSA-N 0 0 318.461 3.273 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1nc2ccsc2s1 ZINC000735577729 574706710 /nfs/dbraw/zinc/70/67/10/574706710.db2.gz XDPNVBHACVPMIX-UHFFFAOYSA-N 0 0 305.384 3.385 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)/C=C\C1CCOCC1 ZINC000735858433 574718191 /nfs/dbraw/zinc/71/81/91/574718191.db2.gz ZPKKCDMYZDHEPV-FPLPWBNLSA-N 0 0 303.402 3.114 20 10 DGCDRN C[C@H]1C[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)CCS1 ZINC000736807270 574806828 /nfs/dbraw/zinc/80/68/28/574806828.db2.gz GKQZTPMWSINNIP-NSHDSACASA-N 0 0 317.410 3.181 20 10 DGCDRN CN(C)c1ccc(NC(=O)NCc2ccccc2O)cc1Cl ZINC000738936482 574886858 /nfs/dbraw/zinc/88/68/58/574886858.db2.gz SVNAZMVQQBRIRQ-UHFFFAOYSA-N 0 0 319.792 3.433 20 10 DGCDRN COC[C@@H]1CC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000739867354 574913898 /nfs/dbraw/zinc/91/38/98/574913898.db2.gz BAASFIHCKQEALJ-CYBMUJFWSA-N 0 0 315.413 3.486 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)N2c3ccccc3C[C@H]2C)cc1 ZINC000739922922 574915940 /nfs/dbraw/zinc/91/59/40/574915940.db2.gz RCBJTRNVOVNZEQ-OAHLLOKOSA-N 0 0 324.424 3.499 20 10 DGCDRN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCCF ZINC000742220173 574985477 /nfs/dbraw/zinc/98/54/77/574985477.db2.gz JYWMHZWJUHLGLL-UHFFFAOYSA-N 0 0 308.378 3.403 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)c2ccc(C)nn2)cc1 ZINC000742224361 574985788 /nfs/dbraw/zinc/98/57/88/574985788.db2.gz SYLKRQJHPGFDAR-UHFFFAOYSA-N 0 0 320.396 3.469 20 10 DGCDRN Cc1noc(-c2ccc(NCc3ccc(N(C)C)cc3C)nc2)n1 ZINC000742407389 574997205 /nfs/dbraw/zinc/99/72/05/574997205.db2.gz BKYQKBUNKITZKU-UHFFFAOYSA-N 0 0 323.400 3.427 20 10 DGCDRN COc1ccc(N2CCN(C(=O)/C=C(/C)C(C)(C)C)CC2)cc1 ZINC000742470140 575001672 /nfs/dbraw/zinc/00/16/72/575001672.db2.gz AALBUIZXMSALNP-PFONDFGASA-N 0 0 316.445 3.336 20 10 DGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cc(C2CC2)n[nH]1 ZINC000742475815 575002119 /nfs/dbraw/zinc/00/21/19/575002119.db2.gz ZMZVHSSJSIYDNZ-UHFFFAOYSA-N 0 0 324.428 3.207 20 10 DGCDRN COc1ccc(Cl)c(NC(=S)NCc2ccccn2)c1 ZINC000742975489 575026627 /nfs/dbraw/zinc/02/66/27/575026627.db2.gz LFMZIKHIBKFITF-UHFFFAOYSA-N 0 0 307.806 3.230 20 10 DGCDRN CCc1csc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)n1 ZINC000743224292 575039561 /nfs/dbraw/zinc/03/95/61/575039561.db2.gz FYHYJAYHTHBQEH-VIFPVBQESA-N 0 0 321.402 3.302 20 10 DGCDRN CC[C@H](C[C@@H](C)CO)[NH2+]Cc1cccc(Br)c1[O-] ZINC000743499199 575054906 /nfs/dbraw/zinc/05/49/06/575054906.db2.gz JJMGGZFPIOEQIX-ZYHUDNBSSA-N 0 0 316.239 3.041 20 10 DGCDRN Cc1ccccc1[C@@H]1CN(C(=O)C2=CC(=O)CS2)[C@@H](C)CO1 ZINC000743710843 575061982 /nfs/dbraw/zinc/06/19/82/575061982.db2.gz WKRCMZVWOROPEC-WFASDCNBSA-N 0 0 317.410 3.364 20 10 DGCDRN Cc1ccc(CC(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000743718532 575062120 /nfs/dbraw/zinc/06/21/20/575062120.db2.gz FTUUBAUREVUSCF-UHFFFAOYSA-N 0 0 309.409 3.438 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CC[C@H](COCc2ccccc2)C1 ZINC000743718365 575062162 /nfs/dbraw/zinc/06/21/62/575062162.db2.gz NMJUSGDMZLQUKV-AWEZNQCLSA-N 0 0 317.410 3.133 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc3ccccc3n2C)c1 ZINC000728983092 575199064 /nfs/dbraw/zinc/19/90/64/575199064.db2.gz UKMSQKPQNOLKNJ-LBPRGKRZSA-N 0 0 324.380 3.384 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(Cl)ccc2O)c1 ZINC000729277586 575231541 /nfs/dbraw/zinc/23/15/41/575231541.db2.gz BRNYGVHXHISBPE-SECBINFHSA-N 0 0 321.760 3.251 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cccc3c2ccn3C)c1 ZINC000729534969 575254880 /nfs/dbraw/zinc/25/48/80/575254880.db2.gz GUDBOBJBJUHVCR-LBPRGKRZSA-N 0 0 324.380 3.384 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cccc3cccnc32)c1 ZINC000729535461 575254913 /nfs/dbraw/zinc/25/49/13/575254913.db2.gz RDZNKBCHVXAMRH-LBPRGKRZSA-N 0 0 322.364 3.440 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc3cccnc32)c1 ZINC000729535460 575254919 /nfs/dbraw/zinc/25/49/19/575254919.db2.gz RDZNKBCHVXAMRH-GFCCVEGCSA-N 0 0 322.364 3.440 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C2(c3ccc(F)cc3)CC2)c1 ZINC000729685995 575260406 /nfs/dbraw/zinc/26/04/06/575260406.db2.gz ZLXMBNQCLLVDDZ-UHFFFAOYSA-N 0 0 302.305 3.218 20 10 DGCDRN CCC(C)(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000744465765 575344901 /nfs/dbraw/zinc/34/49/01/575344901.db2.gz YLCZRNMCSPQHAB-UHFFFAOYSA-N 0 0 322.424 3.105 20 10 DGCDRN CO[C@@H](CNC(=O)c1ccc(-n2c(C)ccc2C)cc1)C(C)C ZINC000744686322 575352345 /nfs/dbraw/zinc/35/23/45/575352345.db2.gz AGFMHBQCOBPGCZ-SFHVURJKSA-N 0 0 314.429 3.495 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CCC[C@H](C)CC2)c([N+](=O)[O-])c1 ZINC000745170380 575382297 /nfs/dbraw/zinc/38/22/97/575382297.db2.gz IJAMHUYATGLLNG-WOLRVDTOSA-N 0 0 318.373 3.407 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)c1 ZINC000745819503 575418763 /nfs/dbraw/zinc/41/87/63/575418763.db2.gz DXSIMCAQQYGRHD-VNHYZAJKSA-N 0 0 318.417 3.169 20 10 DGCDRN CC[C@@H]1C[C@@H](C)CN1C(=O)NCc1ccc(N(C)C)cc1C ZINC000745828750 575419344 /nfs/dbraw/zinc/41/93/44/575419344.db2.gz VCCRAYAUWOVVQE-CZUORRHYSA-N 0 0 303.450 3.391 20 10 DGCDRN COc1cccc(CNC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)c1O ZINC000745876739 575420992 /nfs/dbraw/zinc/42/09/92/575420992.db2.gz UTHIGBHMDPPZMI-VNHYZAJKSA-N 0 0 318.417 3.169 20 10 DGCDRN CCN(CC(=O)Nc1ccc(F)cc1F)c1ccc(OC)cc1 ZINC000746109524 575433256 /nfs/dbraw/zinc/43/32/56/575433256.db2.gz RYUNEHRLAPQRMZ-UHFFFAOYSA-N 0 0 320.339 3.438 20 10 DGCDRN COc1ccc(N(CC(=O)Nc2cc(C)on2)CC(C)C)cc1 ZINC000746171266 575437702 /nfs/dbraw/zinc/43/77/02/575437702.db2.gz XQACTRJBWTZWPB-UHFFFAOYSA-N 0 0 317.389 3.093 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)C(=O)C(C)(C)C)cc2)CC1 ZINC000746237519 575441463 /nfs/dbraw/zinc/44/14/63/575441463.db2.gz NIXZSHDZWCIDED-UHFFFAOYSA-N 0 0 316.445 3.154 20 10 DGCDRN CC[C@H](C)[C@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000746724439 575472430 /nfs/dbraw/zinc/47/24/30/575472430.db2.gz GCFKIYHHWUAOGV-KBPBESRZSA-N 0 0 303.450 3.303 20 10 DGCDRN Cc1ccc(CC(=O)NCc2ccc(N(C)C)c(F)c2)cc1C ZINC000746799083 575476002 /nfs/dbraw/zinc/47/60/02/575476002.db2.gz ZOCINOVTAVMRPU-UHFFFAOYSA-N 0 0 314.404 3.367 20 10 DGCDRN CN(C)c1ccc(CNC(=O)/C=C\c2ccccc2F)cc1F ZINC000746798677 575476012 /nfs/dbraw/zinc/47/60/12/575476012.db2.gz OHMOZVKGDLOQEP-NTMALXAHSA-N 0 0 316.351 3.360 20 10 DGCDRN CCC1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000746978612 575487454 /nfs/dbraw/zinc/48/74/54/575487454.db2.gz WYCQDFDYHSBGIM-UHFFFAOYSA-N 0 0 307.413 3.223 20 10 DGCDRN CCN(C[C@@H](O)COc1cccc(C)c1)c1ccc(OC)cc1 ZINC000747681544 575531878 /nfs/dbraw/zinc/53/18/78/575531878.db2.gz AXZSCWCMNGBBTA-QGZVFWFLSA-N 0 0 315.413 3.270 20 10 DGCDRN Cc1cc(C(=O)N(C)c2cn[nH]c2)c(C)n1-c1ccccc1C ZINC000747999881 575555903 /nfs/dbraw/zinc/55/59/03/575555903.db2.gz SXNQCFWIUXNXDR-UHFFFAOYSA-N 0 0 308.385 3.402 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Cn1cc2ccccc2n1 ZINC000748042459 575558413 /nfs/dbraw/zinc/55/84/13/575558413.db2.gz SUBNFWLHKGYRKU-UHFFFAOYSA-N 0 0 323.396 3.181 20 10 DGCDRN CC[C@@H](Oc1ccccc1F)C(=O)NCc1ccccc1O ZINC000748300163 575579548 /nfs/dbraw/zinc/57/95/48/575579548.db2.gz PDUWEOIFGLHUGQ-OAHLLOKOSA-N 0 0 303.333 3.005 20 10 DGCDRN Cc1cc(O[C@H](C)C(=O)NCc2ccccc2O)ccc1Cl ZINC000748344865 575581713 /nfs/dbraw/zinc/58/17/13/575581713.db2.gz DPLVVNIAIPLTLD-GFCCVEGCSA-N 0 0 319.788 3.438 20 10 DGCDRN C[C@@H](SCc1ccccc1)C(=O)NCc1ccccc1O ZINC000748344989 575581725 /nfs/dbraw/zinc/58/17/25/575581725.db2.gz FMDXYVYUVWKHMN-CYBMUJFWSA-N 0 0 301.411 3.330 20 10 DGCDRN COc1ccc([C@H](C)NC(=O)NCc2ccccc2O)cc1F ZINC000748462189 575588726 /nfs/dbraw/zinc/58/87/26/575588726.db2.gz ARPLFCQDEAFCJC-NSHDSACASA-N 0 0 318.348 3.100 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1ccc(OCC(F)F)cc1 ZINC000748621694 575598420 /nfs/dbraw/zinc/59/84/20/575598420.db2.gz BWIRRIISEKYVNF-UHFFFAOYSA-N 0 0 322.311 3.358 20 10 DGCDRN COc1ccc(C2(C(=O)NCc3ccccc3O)CCC2)cc1 ZINC000749531863 575663666 /nfs/dbraw/zinc/66/36/66/575663666.db2.gz VHONTSJMXZRNIC-UHFFFAOYSA-N 0 0 311.381 3.139 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@@H]1CCCO1 ZINC000749561346 575664935 /nfs/dbraw/zinc/66/49/35/575664935.db2.gz HXQHBDJGWRSGHE-INIZCTEOSA-N 0 0 312.413 3.311 20 10 DGCDRN CC(C)CN1CC(=O)N[C@@H]1c1cc(-c2ccccc2)ccc1O ZINC000749698897 575673209 /nfs/dbraw/zinc/67/32/09/575673209.db2.gz BCXUKZHHSRQQLR-IBGZPJMESA-N 0 0 310.397 3.146 20 10 DGCDRN Cc1cc(C(=O)COC(=O)c2cc[nH]c2)c(C)n1-c1ccccc1 ZINC000750499621 575733417 /nfs/dbraw/zinc/73/34/17/575733417.db2.gz WEWYRBJNPIAOOK-UHFFFAOYSA-N 0 0 322.364 3.462 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCOc3cc(F)ccc32)c1O ZINC000750819607 575754166 /nfs/dbraw/zinc/75/41/66/575754166.db2.gz CYXWMOTUKBOMCM-UHFFFAOYSA-N 0 0 319.307 3.272 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)COCc1ccccc1 ZINC000750861797 575756650 /nfs/dbraw/zinc/75/66/50/575756650.db2.gz HXUORWWDVBGYJJ-UHFFFAOYSA-N 0 0 313.397 3.348 20 10 DGCDRN CCN(CC)c1ccc(CNC(=S)NCC(F)(F)F)cc1 ZINC000750995805 575766507 /nfs/dbraw/zinc/76/65/07/575766507.db2.gz RHHUSGLRRSRWOM-UHFFFAOYSA-N 0 0 319.396 3.059 20 10 DGCDRN COc1ccc(N(Cc2cccs2)C[C@@H]2COCCO2)cc1 ZINC000751030722 575767860 /nfs/dbraw/zinc/76/78/60/575767860.db2.gz RDKNRXODTSXMMT-MRXNPFEDSA-N 0 0 319.426 3.179 20 10 DGCDRN O=S(=O)(/C=C\c1ccc(Cl)cc1)NCc1ccccc1O ZINC000751149239 575771888 /nfs/dbraw/zinc/77/18/88/575771888.db2.gz OWUJASSJVFONSO-KTKRTIGZSA-N 0 0 323.801 3.136 20 10 DGCDRN CS[C@H](C)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000751299933 575778809 /nfs/dbraw/zinc/77/88/09/575778809.db2.gz RULNTBFRDBWORC-LLVKDONJSA-N 0 0 312.398 3.086 20 10 DGCDRN CCc1cccc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)c1O ZINC000751388178 575783416 /nfs/dbraw/zinc/78/34/16/575783416.db2.gz CPZDXTKWWZZUKH-NSHDSACASA-N 0 0 315.369 3.160 20 10 DGCDRN CCC1(CNC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000752028698 575818794 /nfs/dbraw/zinc/81/87/94/575818794.db2.gz HTLZOJHLYUGRNF-UHFFFAOYSA-N 0 0 302.418 3.260 20 10 DGCDRN CS/C=C\C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000752087903 575822636 /nfs/dbraw/zinc/82/26/36/575822636.db2.gz HGYDZSPYGCNVDD-NTMALXAHSA-N 0 0 303.383 3.391 20 10 DGCDRN C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C(F)(F)F ZINC000742523966 575842442 /nfs/dbraw/zinc/84/24/42/575842442.db2.gz IQPKVYVEXTYHFG-NSHDSACASA-N 0 0 314.351 3.442 20 10 DGCDRN COc1ccc(N(CC(=O)N2CCCCCC2)C(C)C)cc1F ZINC000725815366 575919595 /nfs/dbraw/zinc/91/95/95/575919595.db2.gz DBZBPXHGMJLILR-UHFFFAOYSA-N 0 0 322.424 3.452 20 10 DGCDRN C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000725847310 575929265 /nfs/dbraw/zinc/92/92/65/575929265.db2.gz ZQHVJGXOARJMGG-YGRLFVJLSA-N 0 0 302.330 3.307 20 10 DGCDRN CSCCNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000726278458 576014966 /nfs/dbraw/zinc/01/49/66/576014966.db2.gz HWMGKCLXQDQJEA-UHFFFAOYSA-N 0 0 320.414 3.060 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)NCCSC)cc1 ZINC000726278918 576015050 /nfs/dbraw/zinc/01/50/50/576015050.db2.gz NZLVDHFFHYABPE-UHFFFAOYSA-N 0 0 309.479 3.037 20 10 DGCDRN CCOc1ccc(N(CC)Cc2cc(C(=O)OC)co2)cc1 ZINC000726597496 576032554 /nfs/dbraw/zinc/03/25/54/576032554.db2.gz RJRSTHKKTGWSFJ-UHFFFAOYSA-N 0 0 303.358 3.491 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)NCC[C@@H](C)OC)cc1 ZINC000726713545 576038117 /nfs/dbraw/zinc/03/81/17/576038117.db2.gz GQDUDLBXXRGBOJ-OAHLLOKOSA-N 0 0 321.465 3.099 20 10 DGCDRN CN(CC(C)(C)C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000727032252 576096710 /nfs/dbraw/zinc/09/67/10/576096710.db2.gz HHCYYZHDESHUNR-UHFFFAOYSA-N 0 0 303.450 3.257 20 10 DGCDRN CCN(C)C(=O)CN(Cc1cccs1)c1ccc(OC)cc1 ZINC000727140129 576109619 /nfs/dbraw/zinc/10/96/19/576109619.db2.gz VTAWYASOGNTJHL-UHFFFAOYSA-N 0 0 318.442 3.242 20 10 DGCDRN CN(C)c1ccc(/C=C2\N=C(c3cccs3)OC2=O)cc1F ZINC000727658647 576137384 /nfs/dbraw/zinc/13/73/84/576137384.db2.gz ILWMLRWAVISMSB-XFXZXTDPSA-N 0 0 316.357 3.298 20 10 DGCDRN O=C1NN(c2ccccc2)C(=O)/C1=C\c1csc2ccccc12 ZINC000728700228 576195747 /nfs/dbraw/zinc/19/57/47/576195747.db2.gz ZPONXTGJQWELRJ-GDNBJRDFSA-N 0 0 320.373 3.363 20 10 DGCDRN C[C@H](CC(=O)OCC(=O)c1ccc(O)c(O)c1)c1ccccc1 ZINC000916590773 620637380 /nfs/dbraw/zinc/63/73/80/620637380.db2.gz NVMFZHRILGMIHG-GFCCVEGCSA-N 0 0 314.337 3.018 20 10 DGCDRN CC[C@@H](NC(=O)NCc1c(O)cccc1F)c1nc(C)cs1 ZINC000917023479 620652448 /nfs/dbraw/zinc/65/24/48/620652448.db2.gz FPQXKTYSBDKVAQ-GFCCVEGCSA-N 0 0 323.393 3.247 20 10 DGCDRN COc1ccc2c(c1)CCCN2CC(=O)NCCC(C)(C)C ZINC000917077317 620654965 /nfs/dbraw/zinc/65/49/65/620654965.db2.gz IWDILAGMKKAFBG-UHFFFAOYSA-N 0 0 304.434 3.000 20 10 DGCDRN C[C@](Cc1ccccc1)(NC(=O)Cc1ccc(N)cc1)C1CC1 ZINC000852914359 620655186 /nfs/dbraw/zinc/65/51/86/620655186.db2.gz UISPJLXCEGTGFI-HXUWFJFHSA-N 0 0 308.425 3.339 20 10 DGCDRN CC1(C)CC(NC(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000852921967 620655560 /nfs/dbraw/zinc/65/55/60/620655560.db2.gz PIWDDBBLOMIPRD-UHFFFAOYSA-N 0 0 315.442 3.235 20 10 DGCDRN Cc1cc(C(=O)CSCCO)c(C)n1-c1ccccc1C ZINC000917400146 620667135 /nfs/dbraw/zinc/66/71/35/620667135.db2.gz GWPZLIHSBGPTCF-UHFFFAOYSA-N 0 0 303.427 3.311 20 10 DGCDRN O=C([O-])[C@H]1Cc2ccccc2C[N@H+]1Cc1cc(Cl)ccc1O ZINC000315901362 604465155 /nfs/dbraw/zinc/46/51/55/604465155.db2.gz NIACTNSDRCKMHC-OAHLLOKOSA-N 0 0 317.772 3.057 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CC3CC2(C)C3)cc1 ZINC000853456821 620697041 /nfs/dbraw/zinc/69/70/41/620697041.db2.gz PUVPJERFWJMRMN-UHFFFAOYSA-N 0 0 301.434 3.227 20 10 DGCDRN COC(=O)Cc1ccnc(N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000853484888 620700358 /nfs/dbraw/zinc/70/03/58/620700358.db2.gz WXRJMHJSLZHTIF-ZDUSSCGKSA-N 0 0 313.401 3.036 20 10 DGCDRN Cc1cc(C(=O)N(C)Cc2ccoc2)c(C)n1-c1ccccn1 ZINC000918391543 620707011 /nfs/dbraw/zinc/70/70/11/620707011.db2.gz ARTDZVUTVHTNKF-UHFFFAOYSA-N 0 0 309.369 3.354 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC[C@H]2CCc3ccccc32)cc1 ZINC000111419577 620710768 /nfs/dbraw/zinc/71/07/68/620710768.db2.gz FBHQCDHTIXODDR-QGZVFWFLSA-N 0 0 323.440 3.282 20 10 DGCDRN Cc1cc(O)c(CN2CCO[C@@H](CC(F)(F)F)C2)cc1C ZINC000853611440 620716407 /nfs/dbraw/zinc/71/64/07/620716407.db2.gz NGOUQUKRJAHJKS-ZDUSSCGKSA-N 0 0 303.324 3.162 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCS[C@@H](C)C1 ZINC000919080726 620735728 /nfs/dbraw/zinc/73/57/28/620735728.db2.gz FVPJLMBFADMULF-DZGCQCFKSA-N 0 0 321.490 3.144 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)OCCC(F)(F)F)c1 ZINC000866841824 617604456 /nfs/dbraw/zinc/60/44/56/617604456.db2.gz NTVMASLBXRVCBT-QMMMGPOBSA-N 0 0 307.268 3.140 20 10 DGCDRN COc1ccc(CNc2ncccc2Br)c(O)c1 ZINC000804682588 617650243 /nfs/dbraw/zinc/65/02/43/617650243.db2.gz QQNRBKXNMUAOAK-UHFFFAOYSA-N 0 0 309.163 3.170 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1cccnc1C1CC1 ZINC000890759742 617656382 /nfs/dbraw/zinc/65/63/82/617656382.db2.gz QGBVAPLFMBFLTD-UHFFFAOYSA-N 0 0 302.761 3.248 20 10 DGCDRN CC[C@@H](OC1CCCC1)C(=O)NCc1cccc(Cl)c1O ZINC000890759343 617656477 /nfs/dbraw/zinc/65/64/77/617656477.db2.gz ADFFJMIJOZUQSO-CQSZACIVSA-N 0 0 311.809 3.400 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@H]1CCCC(F)(F)C1 ZINC000890759980 617656950 /nfs/dbraw/zinc/65/69/50/617656950.db2.gz XTKCJGMISDSAEP-VIFPVBQESA-N 0 0 303.736 3.487 20 10 DGCDRN CCCCn1cc(C(=O)NCc2cccc(Cl)c2O)c(C)n1 ZINC000890759954 617656996 /nfs/dbraw/zinc/65/69/96/617656996.db2.gz XBWXFSDDGYISBJ-UHFFFAOYSA-N 0 0 321.808 3.281 20 10 DGCDRN Cc1cc(C(=O)NCc2cccc(Cl)c2O)nn1C(C)C ZINC000890761689 617657239 /nfs/dbraw/zinc/65/72/39/617657239.db2.gz VSRQNOBOEJNVIS-UHFFFAOYSA-N 0 0 307.781 3.061 20 10 DGCDRN Cc1nc(CCCC(=O)NCc2cccc(Cl)c2O)cs1 ZINC000890760270 617657361 /nfs/dbraw/zinc/65/73/61/617657361.db2.gz MQXPMCFALHLDRM-UHFFFAOYSA-N 0 0 324.833 3.450 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)C1([C@@H]2CCCCO2)CCC1 ZINC000890762584 617657762 /nfs/dbraw/zinc/65/77/62/617657762.db2.gz GRNNWBFVOJPXPQ-AWEZNQCLSA-N 0 0 323.820 3.401 20 10 DGCDRN O=C(C[C@H]1CC[C@@H](C2CC2)O1)NCc1cccc(Cl)c1O ZINC000890762982 617658356 /nfs/dbraw/zinc/65/83/56/617658356.db2.gz LVTCMWNXMAIDEQ-OCCSQVGLSA-N 0 0 309.793 3.010 20 10 DGCDRN O=C(C[C@@H]1CC[C@H](C2CC2)O1)NCc1cccc(Cl)c1O ZINC000890762980 617658470 /nfs/dbraw/zinc/65/84/70/617658470.db2.gz LVTCMWNXMAIDEQ-GXTWGEPZSA-N 0 0 309.793 3.010 20 10 DGCDRN Oc1ccc(Br)cc1CNc1ccnc(C2CC2)n1 ZINC000804828645 617680736 /nfs/dbraw/zinc/68/07/36/617680736.db2.gz UXCRMSCPZPINCC-UHFFFAOYSA-N 0 0 320.190 3.434 20 10 DGCDRN OC1CCN(c2ccc(CNc3ccc(Cl)cn3)cc2)CC1 ZINC000853955773 620756898 /nfs/dbraw/zinc/75/68/98/620756898.db2.gz JNRQGZBXBLHFBP-UHFFFAOYSA-N 0 0 317.820 3.308 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@@H](c2ccncc2)C2CC2)cc1 ZINC000891606835 617850679 /nfs/dbraw/zinc/85/06/79/617850679.db2.gz LXVHYMBAKQLGQO-GOSISDBHSA-N 0 0 324.428 3.098 20 10 DGCDRN Cc1nc(NCc2ccc(N3CCC(O)CC3)cc2)sc1C ZINC000853955962 620757008 /nfs/dbraw/zinc/75/70/08/620757008.db2.gz MKIKCJWSQDOWEP-UHFFFAOYSA-N 0 0 317.458 3.333 20 10 DGCDRN C[C@H](O)c1cccc(N2CC=C(c3c[nH]c4ncccc34)CC2)n1 ZINC000891661624 617862902 /nfs/dbraw/zinc/86/29/02/617862902.db2.gz HPZDIXBXDPFJSQ-ZDUSSCGKSA-N 0 0 320.396 3.305 20 10 DGCDRN COCC1(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCCC1 ZINC000854005035 620761081 /nfs/dbraw/zinc/76/10/81/620761081.db2.gz YKKMHUPFNBFHNF-AWEZNQCLSA-N 0 0 319.449 3.072 20 10 DGCDRN O=C1NC(=S)S/C1=C/c1cc(C(F)(F)F)ccc1F ZINC000206403757 617946632 /nfs/dbraw/zinc/94/66/32/617946632.db2.gz HKUFAQZZHBRPMH-XBXARRHUSA-N 0 0 307.293 3.333 20 10 DGCDRN CSC1(CNC(=O)NCCc2ccc(N)cc2)CCCCC1 ZINC000892039100 617949359 /nfs/dbraw/zinc/94/93/59/617949359.db2.gz PATQIACNGRNRLT-UHFFFAOYSA-N 0 0 321.490 3.176 20 10 DGCDRN COc1ccc(CNc2ccccc2N(C)C)c(O)c1OC ZINC000892293561 618011482 /nfs/dbraw/zinc/01/14/82/618011482.db2.gz TWKHLRFUTQAVQM-UHFFFAOYSA-N 0 0 302.374 3.088 20 10 DGCDRN O=C(NCCC1CC=CC1)NCc1ccc(N2CC=CC2)cc1 ZINC000919918506 620771582 /nfs/dbraw/zinc/77/15/82/620771582.db2.gz NFSLFKOFPSGSKS-UHFFFAOYSA-N 0 0 311.429 3.218 20 10 DGCDRN Nc1ccc(Cc2noc([C@@H]3COC[C@H]3c3ccccc3)n2)cc1 ZINC000854134636 620772169 /nfs/dbraw/zinc/77/21/69/620772169.db2.gz RPFJZGPMBARXRO-DLBZAZTESA-N 0 0 321.380 3.140 20 10 DGCDRN C[C@@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1CC1 ZINC000920053453 620780250 /nfs/dbraw/zinc/78/02/50/620780250.db2.gz DWNRCVVXVUPDFA-AWEZNQCLSA-N 0 0 315.461 3.473 20 10 DGCDRN CCn1cc(C=C2SC(Nc3cccc(C)c3)=NC2=O)cn1 ZINC000111998249 620778948 /nfs/dbraw/zinc/77/89/48/620778948.db2.gz HCMUEONQGDXJRL-ZSOIEALJSA-N 0 0 312.398 3.294 20 10 DGCDRN CCCC[C@](C)(F)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000854199281 620782054 /nfs/dbraw/zinc/78/20/54/620782054.db2.gz ZIYRTBCBJNOENF-SFHVURJKSA-N 0 0 322.424 3.262 20 10 DGCDRN CN(C)c1ccc(/C=C\C[N@H+](CC(=O)[O-])CC(C)(C)C)cc1 ZINC000854244086 620787752 /nfs/dbraw/zinc/78/77/52/620787752.db2.gz PAUPLXHHPGJJMK-SREVYHEPSA-N 0 0 304.434 3.199 20 10 DGCDRN CC(C)C[C@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)CC(=O)[O-] ZINC000854244847 620787841 /nfs/dbraw/zinc/78/78/41/620787841.db2.gz VSEUNEGUGCIGNE-RTRPANQVSA-N 0 0 318.461 3.492 20 10 DGCDRN CCC/C(C)=C/C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000920286523 620794898 /nfs/dbraw/zinc/79/48/98/620794898.db2.gz ZLSWGAYERWPWLK-JQIJEIRASA-N 0 0 316.445 3.228 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CCCSCC1 ZINC000894422601 618327158 /nfs/dbraw/zinc/32/71/58/618327158.db2.gz JXMVFDQLHDMGFW-UHFFFAOYSA-N 0 0 320.227 3.233 20 10 DGCDRN COc1cc(C)cc(CNc2cccc3c2OCC[C@@H]3O)c1O ZINC000894469999 618344851 /nfs/dbraw/zinc/34/48/51/618344851.db2.gz LJUYVZWCSRKXEG-HNNXBMFYSA-N 0 0 315.369 3.137 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000894480887 618350174 /nfs/dbraw/zinc/35/01/74/618350174.db2.gz RIIZBOXJTOJWFQ-SFHVURJKSA-N 0 0 317.335 3.302 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H](OC)C1CCC1 ZINC000854374099 620798849 /nfs/dbraw/zinc/79/88/49/620798849.db2.gz PJWFIRSBENYHQU-KRWDZBQOSA-N 0 0 305.418 3.336 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCCc1ccc(F)cc1F ZINC000112216893 620800852 /nfs/dbraw/zinc/80/08/52/620800852.db2.gz DDVCJAXJJYLEBT-UHFFFAOYSA-N 0 0 320.339 3.055 20 10 DGCDRN C[C@H](CN(C(=O)C1=CC(=O)CS1)[C@@H](C)CO)c1ccccc1 ZINC000854475948 620807352 /nfs/dbraw/zinc/80/73/52/620807352.db2.gz YMZQAUXKFOXZAJ-OLZOCXBDSA-N 0 0 319.426 3.080 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000894793797 618462060 /nfs/dbraw/zinc/46/20/60/618462060.db2.gz IWQQSMGBEFODSE-HOCLYGCPSA-N 0 0 309.356 3.204 20 10 DGCDRN COc1ccc(CNc2ccc3c(c2)COC3)c(O)c1OC ZINC000893223913 618480628 /nfs/dbraw/zinc/48/06/28/618480628.db2.gz QBOMCZGELKXUAR-UHFFFAOYSA-N 0 0 301.342 3.052 20 10 DGCDRN CS[C@H]1CC[C@H](NC(=O)NCc2cccc(Cl)c2O)C1 ZINC000893288578 618498273 /nfs/dbraw/zinc/49/82/73/618498273.db2.gz AQTJSCJOSRUEMM-QWRGUYRKSA-N 0 0 314.838 3.129 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000895056743 618521364 /nfs/dbraw/zinc/52/13/64/618521364.db2.gz ASXRCOXTMLUZSO-KRWDZBQOSA-N 0 0 323.383 3.452 20 10 DGCDRN CN(C)c1ccc(CN2CCc3nc[nH]c3C23CCC3)cc1F ZINC000895068351 618525636 /nfs/dbraw/zinc/52/56/36/618525636.db2.gz VJWFVWALHAHFIV-UHFFFAOYSA-N 0 0 314.408 3.052 20 10 DGCDRN COc1ccc2c(c1)CCCN2[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000893451593 618560293 /nfs/dbraw/zinc/56/02/93/618560293.db2.gz RVIGZLQHYMFALY-NVXWUHKLSA-N 0 0 321.392 3.082 20 10 DGCDRN COC1([C@H](C)[NH2+]Cc2cccc(Br)c2[O-])CCC1 ZINC000840970142 618646373 /nfs/dbraw/zinc/64/63/73/618646373.db2.gz QMAMDQZEBMEPTA-JTQLQIEISA-N 0 0 314.223 3.202 20 10 DGCDRN COCCOc1cccc(NCc2cc(C)cc(OC)c2O)c1 ZINC000894103744 618711251 /nfs/dbraw/zinc/71/12/51/618711251.db2.gz DLQKOXXQDHVGSL-UHFFFAOYSA-N 0 0 317.385 3.347 20 10 DGCDRN COc1cc(C)cc(CNc2ccc([S@](C)=O)c(F)c2)c1O ZINC000894132156 618717031 /nfs/dbraw/zinc/71/70/31/618717031.db2.gz URKWSLGZROILMX-QFIPXVFZSA-N 0 0 323.389 3.198 20 10 DGCDRN C[C@H](NC(=O)N1C[C@@H]2CCC[C@@H]2C1)c1ccc(N(C)C)cc1 ZINC000894284485 618751871 /nfs/dbraw/zinc/75/18/71/618751871.db2.gz FRBADBRQAYNOEN-CWRNSKLLSA-N 0 0 301.434 3.255 20 10 DGCDRN CCN(CC)c1ccc(CN[C@H](C)c2cn(C)cn2)cc1F ZINC000925014417 618764313 /nfs/dbraw/zinc/76/43/13/618764313.db2.gz QFHUSZYFOPNKFJ-CYBMUJFWSA-N 0 0 304.413 3.256 20 10 DGCDRN COCc1cc(NCc2cc(C)cc(OC)c2O)ccc1OC ZINC000895449999 618786254 /nfs/dbraw/zinc/78/62/54/618786254.db2.gz RKVPKDXTFMGZEK-UHFFFAOYSA-N 0 0 317.385 3.476 20 10 DGCDRN C[C@@H](CNC(=O)NCc1cccc(Cl)c1O)CC(F)F ZINC000895492859 618791067 /nfs/dbraw/zinc/79/10/67/618791067.db2.gz GZLUZXOFICVHHA-MRVPVSSYSA-N 0 0 306.740 3.136 20 10 DGCDRN Cc1cccc(O)c1C[NH2+]CC[C@@H]1CCC2(CCOCC2)CO1 ZINC000895799059 618833247 /nfs/dbraw/zinc/83/32/47/618833247.db2.gz GRGYTRGZVNUBRR-INIZCTEOSA-N 0 0 319.445 3.156 20 10 DGCDRN O=C1CCC[C@H](c2cccc(NCc3cc(F)ccc3O)c2)N1 ZINC000895891361 618846534 /nfs/dbraw/zinc/84/65/34/618846534.db2.gz BZNUJYYBTDEFCD-MRXNPFEDSA-N 0 0 314.360 3.485 20 10 DGCDRN [O-]c1c(C[NH2+]Cc2nccc3c2CCCC3)ccc(F)c1F ZINC000896280839 618896352 /nfs/dbraw/zinc/89/63/52/618896352.db2.gz LXMPIERWAYYDPK-UHFFFAOYSA-N 0 0 304.340 3.234 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H](CO)CCc1ccccc1 ZINC000896524945 618925024 /nfs/dbraw/zinc/92/50/24/618925024.db2.gz ZTWDNODMZLXZDQ-HNNXBMFYSA-N 0 0 305.805 3.129 20 10 DGCDRN COc1cc(C)cc(C[NH2+]Cc2c([O-])cccc2F)c1OC ZINC000896638462 618939770 /nfs/dbraw/zinc/93/97/70/618939770.db2.gz BVYKLPUVTUWRQQ-UHFFFAOYSA-N 0 0 305.349 3.147 20 10 DGCDRN Oc1cccc(F)c1CNCc1ncc(C(F)(F)F)s1 ZINC000896638979 618940013 /nfs/dbraw/zinc/94/00/13/618940013.db2.gz SGVOWSRELBBUKZ-UHFFFAOYSA-N 0 0 306.284 3.296 20 10 DGCDRN CS[C@@H]1CC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896697675 618947407 /nfs/dbraw/zinc/94/74/07/618947407.db2.gz WYEBSSBKSYYUQM-VHSXEESVSA-N 0 0 323.439 3.326 20 10 DGCDRN COc1nn(C)cc1NCc1cc(-c2ccccc2)ccc1O ZINC000788971854 625308664 /nfs/dbraw/zinc/30/86/64/625308664.db2.gz QQIWRJDMBMIAKT-UHFFFAOYSA-N 0 0 309.369 3.413 20 10 DGCDRN CN(C)c1ccc(/C=C/CN2CCn3nc(C4CC4)cc3C2)cc1 ZINC000896938037 618989141 /nfs/dbraw/zinc/98/91/41/618989141.db2.gz GXNCUPSKHRTIHA-ONEGZZNKSA-N 0 0 322.456 3.356 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000897083340 619012281 /nfs/dbraw/zinc/01/22/81/619012281.db2.gz XVYSDTXSIOIHAR-NHYWBVRUSA-N 0 0 313.800 3.480 20 10 DGCDRN COc1cc(O)c(CNc2ccc3c(c2)C[C@H](C)O3)cc1OC ZINC000897114658 619019449 /nfs/dbraw/zinc/01/94/49/619019449.db2.gz QXEZREHJKMBTMS-NSHDSACASA-N 0 0 315.369 3.345 20 10 DGCDRN COC(=O)c1cnc(/C=C\c2ccc(N(C)C)cc2C)s1 ZINC000840717238 619036839 /nfs/dbraw/zinc/03/68/39/619036839.db2.gz OUUQZXXGGSFIOK-VURMDHGXSA-N 0 0 302.399 3.475 20 10 DGCDRN COc1cccc(C[N@@H+]2CCC[C@H](C3CCOCC3)C2)c1O ZINC000897269735 619039859 /nfs/dbraw/zinc/03/98/59/619039859.db2.gz OBSFEOREEFVWNX-HNNXBMFYSA-N 0 0 305.418 3.039 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000897271254 619040422 /nfs/dbraw/zinc/04/04/22/619040422.db2.gz JOQWLNLYSPCUDV-CYBMUJFWSA-N 0 0 311.372 3.309 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@@]1(c2ccccc2)C[C@H](F)C1 ZINC000928709915 619059561 /nfs/dbraw/zinc/05/95/61/619059561.db2.gz ISVNNGSBSDUHKR-KTXOBNNYSA-N 0 0 317.335 3.217 20 10 DGCDRN CCCNC(=O)CN(Cc1ccccc1)c1ccc(OC)cc1 ZINC000144117719 619065562 /nfs/dbraw/zinc/06/55/62/619065562.db2.gz AHOPTNFWLJHIPQ-UHFFFAOYSA-N 0 0 312.413 3.228 20 10 DGCDRN CCN1C(=O)/C(=C\c2ccc(-n3cccn3)cc2)SC1=S ZINC000026132957 619080463 /nfs/dbraw/zinc/08/04/63/619080463.db2.gz BOGKWMBEZFNPSF-JLHYYAGUSA-N 0 0 315.423 3.093 20 10 DGCDRN CCC[N@H+](CC(=O)[O-])Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000840997778 619110231 /nfs/dbraw/zinc/11/02/31/619110231.db2.gz AHLGOSKHCJASMG-UHFFFAOYSA-N 0 0 318.339 3.068 20 10 DGCDRN O=C(N[C@H]1CC12CCCC2)c1cc2cc(O)c(O)cc2s1 ZINC000897566042 619161598 /nfs/dbraw/zinc/16/15/98/619161598.db2.gz DVSKKZLAJPCALL-AWEZNQCLSA-N 0 0 303.383 3.375 20 10 DGCDRN C[C@H](NCc1nn(C)cc1Cl)c1ccc(Cl)cc1O ZINC000841757975 619163424 /nfs/dbraw/zinc/16/34/24/619163424.db2.gz QMGGDYOOSKJHMX-QMMMGPOBSA-N 0 0 300.189 3.283 20 10 DGCDRN CCN(C)c1ccc(Cn2cc([C@H]3CCCC(=O)C3)nn2)cc1 ZINC000881313206 625324508 /nfs/dbraw/zinc/32/45/08/625324508.db2.gz DBKWIXQIJHTSGV-HNNXBMFYSA-N 0 0 312.417 3.009 20 10 DGCDRN CCOCC(C)(C)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897783174 619182414 /nfs/dbraw/zinc/18/24/14/619182414.db2.gz KXULGQGDIZGKSX-UHFFFAOYSA-N 0 0 323.414 3.105 20 10 DGCDRN CC1(C)C[C@@H](NC(=O)NCc2c(O)cccc2F)CCS1 ZINC000897852974 619188671 /nfs/dbraw/zinc/18/86/71/619188671.db2.gz QTPOTVIVBBCIQH-JTQLQIEISA-N 0 0 312.410 3.005 20 10 DGCDRN CCOc1ccc(CNCc2nc(C(C)(C)C)co2)c(O)c1 ZINC000897945178 619197726 /nfs/dbraw/zinc/19/77/26/619197726.db2.gz WJXZPQBNIMSCFB-UHFFFAOYSA-N 0 0 304.390 3.366 20 10 DGCDRN O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1cc2cc(O)c(O)cc2s1 ZINC000897963418 619199618 /nfs/dbraw/zinc/19/96/18/619199618.db2.gz ZCCWEDMWKOJKGS-MIMYLULJSA-N 0 0 303.383 3.231 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1CN1CCC([NH2+]C2CCC2)CC1 ZINC000897980632 619202491 /nfs/dbraw/zinc/20/24/91/619202491.db2.gz AWUSUYFRZCXKRE-UHFFFAOYSA-N 0 0 312.816 3.291 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1ccc(CCO)cc1 ZINC000898171056 619220568 /nfs/dbraw/zinc/22/05/68/619220568.db2.gz PMFLAEDRRCBKEQ-UHFFFAOYSA-N 0 0 309.768 3.009 20 10 DGCDRN CCc1[nH]c(C[NH2+]Cc2cccc(Cl)c2[O-])cc1C(=O)OC ZINC000898214720 619222168 /nfs/dbraw/zinc/22/21/68/619222168.db2.gz GMBKEAJRINRXRN-UHFFFAOYSA-N 0 0 322.792 3.013 20 10 DGCDRN COc1c(C)cnc(C[NH2+]Cc2cccc(Cl)c2[O-])c1C ZINC000898215329 619222270 /nfs/dbraw/zinc/22/22/70/619222270.db2.gz LNBCTPNEKTZPCS-UHFFFAOYSA-N 0 0 306.793 3.356 20 10 DGCDRN COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])[C@@H]1C ZINC000898218804 619222782 /nfs/dbraw/zinc/22/27/82/619222782.db2.gz PRPQGFOJXJCGQH-UHIISALHSA-N 0 0 311.809 3.113 20 10 DGCDRN CCOCCOCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000927087340 619264297 /nfs/dbraw/zinc/26/42/97/619264297.db2.gz MOEYAPWUUIULMU-SNVBAGLBSA-N 0 0 322.232 3.403 20 10 DGCDRN CCOCc1cc(CNC(C)(C)C(=O)OC(C)C)ccc1OC ZINC000898508384 619281572 /nfs/dbraw/zinc/28/15/72/619281572.db2.gz FEUSNFKFIVYJAT-UHFFFAOYSA-N 0 0 323.433 3.052 20 10 DGCDRN C[C@@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927161163 619306133 /nfs/dbraw/zinc/30/61/33/619306133.db2.gz PGLJVIFFPPSKFU-ABAIWWIYSA-N 0 0 306.362 3.053 20 10 DGCDRN COCC(C)(C)CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000899193706 619317236 /nfs/dbraw/zinc/31/72/36/619317236.db2.gz VUOINBUPBLTCTH-UHFFFAOYSA-N 0 0 323.414 3.105 20 10 DGCDRN O=C1/C(=C/c2cn3ccnc3s2)SC(=S)N1C1CCC1 ZINC000899260364 619323689 /nfs/dbraw/zinc/32/36/89/619323689.db2.gz DLWYPJLUVUGPOG-POHAHGRESA-N 0 0 321.452 3.150 20 10 DGCDRN CCN1C(=O)/C(=C\c2csc(C(F)(F)F)n2)SC1=S ZINC000899333386 619326499 /nfs/dbraw/zinc/32/64/99/619326499.db2.gz OPMMMMCBJXMEGY-ZZXKWVIFSA-N 0 0 324.374 3.383 20 10 DGCDRN O=C(Nc1cccc([C@H]2CCCC(=O)N2)c1)C1=CC(=O)CS1 ZINC000899803895 619374422 /nfs/dbraw/zinc/37/44/22/619374422.db2.gz WWSVXPPURBHVCM-CYBMUJFWSA-N 0 0 316.382 3.047 20 10 DGCDRN CC[C@H](O)[C@@H](C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000900029234 619393386 /nfs/dbraw/zinc/39/33/86/619393386.db2.gz SZPCXBWEBTUIHF-QAPCUYQASA-N 0 0 318.461 3.042 20 10 DGCDRN CC(=O)c1cc(Cl)cc(Cn2cc(C3CCC3)nn2)c1O ZINC000900495640 619432264 /nfs/dbraw/zinc/43/22/64/619432264.db2.gz KWUXNFQSPMQYKL-UHFFFAOYSA-N 0 0 305.765 3.156 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2CCSC3(CCC3)C2)c1 ZINC000927282391 619498835 /nfs/dbraw/zinc/49/88/35/619498835.db2.gz XYEHYRMKXWHINB-AWEZNQCLSA-N 0 0 320.458 3.318 20 10 DGCDRN CC[C@@H](O)c1cn(Cc2ccc(N3CCCCC3)c(C)c2)nn1 ZINC000881383731 625358262 /nfs/dbraw/zinc/35/82/62/625358262.db2.gz XOEGIOMBWUAZAF-GOSISDBHSA-N 0 0 314.433 3.069 20 10 DGCDRN CC[C@@H](CC(F)F)Cn1cc(COc2ccc(N)cc2)nn1 ZINC000881384906 625358712 /nfs/dbraw/zinc/35/87/12/625358712.db2.gz HPDHTBHZBJYERL-NSHDSACASA-N 0 0 310.348 3.121 20 10 DGCDRN C[C@@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CC1)c1ccc(F)cc1[O-] ZINC000903238948 619742166 /nfs/dbraw/zinc/74/21/66/619742166.db2.gz CDYCWWUSRCEWIU-LLVKDONJSA-N 0 0 324.396 3.239 20 10 DGCDRN C[C@H]([NH2+]C[C@@]1(c2ccccc2)C[C@@H](O)C1)c1c([O-])cccc1F ZINC000903272635 619750146 /nfs/dbraw/zinc/75/01/46/619750146.db2.gz WHQNGZHHURFBTB-RFUYNDQBSA-N 0 0 315.388 3.275 20 10 DGCDRN Cc1cc(CO)cc(C)c1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000903303024 619753888 /nfs/dbraw/zinc/75/38/88/619753888.db2.gz JDQYDZOPZQPUKT-ZDUSSCGKSA-N 0 0 303.377 3.491 20 10 DGCDRN C[C@H]([NH2+][C@H]1COC[C@H]1C1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000903438375 619775108 /nfs/dbraw/zinc/77/51/08/619775108.db2.gz UMNSQAUVHVLQKP-WFBYXXMGSA-N 0 0 315.335 3.487 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CC[C@H](CC(=O)OC)C1)c1ccc(F)cc1[O-] ZINC000903451786 619778970 /nfs/dbraw/zinc/77/89/70/619778970.db2.gz YMCWHMOZAGSJIV-LNSITVRQSA-N 0 0 309.381 3.304 20 10 DGCDRN Nc1ccc(Cc2noc(C3C[C@H]4CC[C@@H](C3)S4)n2)cc1 ZINC000904078090 619871295 /nfs/dbraw/zinc/87/12/95/619871295.db2.gz QVADNZTVUMXQQD-QXMXGUDHSA-N 0 0 301.415 3.384 20 10 DGCDRN CCOc1ccccc1NC[C@@H](O)CC[C@H](O)c1ccccc1 ZINC000905296121 619984236 /nfs/dbraw/zinc/98/42/36/619984236.db2.gz YKWWKOKUIYKWAA-WMZOPIPTSA-N 0 0 315.413 3.372 20 10 DGCDRN CC(C)COc1ccccc1NC[C@@H](O)CCC1(O)CCC1 ZINC000905309670 619989241 /nfs/dbraw/zinc/98/92/41/619989241.db2.gz XAFPPCFQCNDEDA-HNNXBMFYSA-N 0 0 307.434 3.189 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CCOC2(CCCC2)C1 ZINC000906990143 620132119 /nfs/dbraw/zinc/13/21/19/620132119.db2.gz APDZZEBEDRDGIQ-AWEZNQCLSA-N 0 0 303.402 3.090 20 10 DGCDRN NC[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C1CCCC1 ZINC000841087441 620233986 /nfs/dbraw/zinc/23/39/86/620233986.db2.gz NNDRJYQDQWQMBR-CYBMUJFWSA-N 0 0 303.233 3.306 20 10 DGCDRN NC[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C1CCCC1 ZINC000841087442 620234141 /nfs/dbraw/zinc/23/41/41/620234141.db2.gz NNDRJYQDQWQMBR-ZDUSSCGKSA-N 0 0 303.233 3.306 20 10 DGCDRN COc1ccc(N(CC(=O)NCC2CC2)Cc2ccccc2)cc1 ZINC000028244136 620302220 /nfs/dbraw/zinc/30/22/20/620302220.db2.gz PUBWKDAGEUARHR-UHFFFAOYSA-N 0 0 324.424 3.228 20 10 DGCDRN C[C@H](CCCc1ccccc1)C(=O)NCc1ccc(O)cc1O ZINC000910949060 620318220 /nfs/dbraw/zinc/31/82/20/620318220.db2.gz DRZMMTZKNMXMNC-CQSZACIVSA-N 0 0 313.397 3.373 20 10 DGCDRN C[C@@H](CCCc1ccccc1)C(=O)NCc1ccc(O)cc1O ZINC000910949058 620318257 /nfs/dbraw/zinc/31/82/57/620318257.db2.gz DRZMMTZKNMXMNC-AWEZNQCLSA-N 0 0 313.397 3.373 20 10 DGCDRN CCCCc1ccc(CC(=O)NCc2ccc(O)cc2O)cc1 ZINC000910957882 620318873 /nfs/dbraw/zinc/31/88/73/620318873.db2.gz OXQDMJAGCYLTQU-UHFFFAOYSA-N 0 0 313.397 3.299 20 10 DGCDRN C/C(=C\C1CCC(C)CC1)C(=O)NCc1ccc(O)cc1O ZINC000910945745 620319920 /nfs/dbraw/zinc/31/99/20/620319920.db2.gz XFYACLONHQGMNN-UKTHLTGXSA-N 0 0 303.402 3.487 20 10 DGCDRN CC(C)(C(=O)NCc1cc(Cl)ccc1O)c1nccs1 ZINC000911898288 620351682 /nfs/dbraw/zinc/35/16/82/620351682.db2.gz ONPUTLMUUSUNFO-UHFFFAOYSA-N 0 0 310.806 3.096 20 10 DGCDRN Cc1ccc(C(=O)N2CC3(CCC3)[C@@H]2c2cccnc2)c(O)c1O ZINC000912040807 620361806 /nfs/dbraw/zinc/36/18/06/620361806.db2.gz JHAOBSCWLRLOFV-KRWDZBQOSA-N 0 0 324.380 3.169 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)NCc2sccc2C)cc1 ZINC000150727820 620387793 /nfs/dbraw/zinc/38/77/93/620387793.db2.gz YFHRBTUVVMHMDB-UHFFFAOYSA-N 0 0 318.442 3.208 20 10 DGCDRN Cc1cncc(/C=C/C(=O)NCCCSc2nccs2)c1 ZINC000151662880 620469087 /nfs/dbraw/zinc/46/90/87/620469087.db2.gz BZHKTIJWTIYBPY-ONEGZZNKSA-N 0 0 319.455 3.158 20 10 DGCDRN Cc1cc(O)ccc1NS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000151873818 620478946 /nfs/dbraw/zinc/47/89/46/620478946.db2.gz ITMCTLMUYZSYEQ-UHFFFAOYSA-N 0 0 315.753 3.294 20 10 DGCDRN Cc1cccc(CNC(=O)NCCCSc2nccs2)c1 ZINC000152020003 620488193 /nfs/dbraw/zinc/48/81/93/620488193.db2.gz RJPGWPLREKJJBQ-UHFFFAOYSA-N 0 0 321.471 3.433 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@]12C[C@H]1CCC2 ZINC000914180640 620511540 /nfs/dbraw/zinc/51/15/40/620511540.db2.gz SYVYEJGNSAYAOR-APWZRJJASA-N 0 0 313.445 3.276 20 10 DGCDRN O=C(NCCCSc1nccs1)NC[C@H]1CC=CCC1 ZINC000152829929 620525351 /nfs/dbraw/zinc/52/53/51/620525351.db2.gz WREHKBLUNMHVNE-LBPRGKRZSA-N 0 0 311.476 3.281 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCC[C@H]1CCCC1(F)F ZINC000914417950 620527598 /nfs/dbraw/zinc/52/75/98/620527598.db2.gz YCBHWUCKZJFMGI-TXNVCOODSA-N 0 0 311.328 3.053 20 10 DGCDRN COc1ccccc1NC[C@@H](O)COc1c(C)cccc1C ZINC000032186286 620552945 /nfs/dbraw/zinc/55/29/45/620552945.db2.gz BOOFVXDYCUDPOO-OAHLLOKOSA-N 0 0 301.386 3.164 20 10 DGCDRN COc1ccccc1NC[C@H](O)COc1c(C)cccc1C ZINC000032186288 620553206 /nfs/dbraw/zinc/55/32/06/620553206.db2.gz BOOFVXDYCUDPOO-HNNXBMFYSA-N 0 0 301.386 3.164 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC[C@@H]2CCCO2)cc1 ZINC000914833860 620556431 /nfs/dbraw/zinc/55/64/31/620556431.db2.gz RHJAMTSQTBODGW-SFHVURJKSA-N 0 0 312.413 3.393 20 10 DGCDRN CCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2CC)c(O)c1 ZINC000915227541 620574696 /nfs/dbraw/zinc/57/46/96/620574696.db2.gz VWFPRWBCUDEUJD-QGZVFWFLSA-N 0 0 312.369 3.377 20 10 DGCDRN Cc1ccc2c(c1)C(=O)N(C)[C@H](c1ccc(N(C)C)c(F)c1)N2 ZINC000153706015 620595572 /nfs/dbraw/zinc/59/55/72/620595572.db2.gz QVKHGVRUZOJTJC-QGZVFWFLSA-N 0 0 313.376 3.396 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)c2cccnc2)c(C)n1-c1ccccn1 ZINC000916121947 620618269 /nfs/dbraw/zinc/61/82/69/620618269.db2.gz HGAKLPISPBJFFV-CQSZACIVSA-N 0 0 320.396 3.375 20 10 DGCDRN CCO[C@H]1C[C@@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000916114588 620618684 /nfs/dbraw/zinc/61/86/84/620618684.db2.gz GUQQSLRRMQKWFK-ROUUACIJSA-N 0 0 316.445 3.060 20 10 DGCDRN CCCN1C(=O)c2ccccc2N[C@H]1c1cc(OC)ccc1O ZINC000916232028 620621822 /nfs/dbraw/zinc/62/18/22/620621822.db2.gz FFUMPRMHCDRAFF-QGZVFWFLSA-N 0 0 312.369 3.377 20 10 DGCDRN CC(C)(F)CCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000852552334 620628378 /nfs/dbraw/zinc/62/83/78/620628378.db2.gz QXZMFCQFUFIFPG-UHFFFAOYSA-N 0 0 308.397 3.208 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NCCCC2CCC2)cc1 ZINC000852584987 620631886 /nfs/dbraw/zinc/63/18/86/620631886.db2.gz VZMICCZSBSWBEP-UHFFFAOYSA-N 0 0 303.450 3.474 20 10 DGCDRN C/C(=C\C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C1CC1 ZINC000920881629 620826425 /nfs/dbraw/zinc/82/64/25/620826425.db2.gz JBLAZTJAUYJEPY-BUYIWHAFSA-N 0 0 314.429 3.057 20 10 DGCDRN Cc1ccc(C(=O)N2CCc3ccsc3[C@H]2C)c(O)c1O ZINC000921510482 620879225 /nfs/dbraw/zinc/87/92/25/620879225.db2.gz WMVSRFQQXWDIQS-SNVBAGLBSA-N 0 0 303.383 3.227 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)C3=CC[C@@H](C)CC3)C2)cc1 ZINC000855226790 620881875 /nfs/dbraw/zinc/88/18/75/620881875.db2.gz UESRWFCGQDETGD-ZBFHGGJFSA-N 0 0 314.429 3.137 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)/C(C)=C\C(C)(C)C)C2)cc1 ZINC000855224995 620881884 /nfs/dbraw/zinc/88/18/84/620881884.db2.gz HGXISPZKKFMCBE-IKESIWSLSA-N 0 0 316.445 3.383 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cc(C)cs3)C2)cc1 ZINC000855227814 620882359 /nfs/dbraw/zinc/88/23/59/620882359.db2.gz ZNYXHKCLEDBWPY-CYBMUJFWSA-N 0 0 316.426 3.074 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3C=CCC3)ccc21 ZINC000855423106 620901667 /nfs/dbraw/zinc/90/16/67/620901667.db2.gz DVYIGLYSNXMBNN-MRXNPFEDSA-N 0 0 312.413 3.353 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000855487965 620907531 /nfs/dbraw/zinc/90/75/31/620907531.db2.gz BURWXOXNUYRPQX-INIZCTEOSA-N 0 0 313.353 3.448 20 10 DGCDRN CN(C[C@@H]1CCc2ccccc21)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000856305105 620982923 /nfs/dbraw/zinc/98/29/23/620982923.db2.gz LYIOFAALTGBUAG-BPLPYTOXSA-N 0 0 323.392 3.299 20 10 DGCDRN C[C@H](NC(=O)NC[C@]1(C)CCCCO1)c1ccc(N(C)C)cc1 ZINC000922056248 620984255 /nfs/dbraw/zinc/98/42/55/620984255.db2.gz WYUAJCOPZPMRLP-KSSFIOAISA-N 0 0 319.449 3.072 20 10 DGCDRN Cc1cc(C(=O)NCc2ncc[nH]2)c(C)n1-c1cccc(C)c1 ZINC000114124326 620985318 /nfs/dbraw/zinc/98/53/18/620985318.db2.gz JACLOLUTODDGTN-UHFFFAOYSA-N 0 0 308.385 3.056 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2ccc(-n3cccc3)cc2)c1 ZINC000114543761 621009284 /nfs/dbraw/zinc/00/92/84/621009284.db2.gz YINIYPXVNYBFOO-UHFFFAOYSA-N 0 0 322.364 3.122 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Cc2ccc3ccccc3c2)c1 ZINC000114543822 621009864 /nfs/dbraw/zinc/00/98/64/621009864.db2.gz LQXOVPKEVXCCCW-UHFFFAOYSA-N 0 0 321.376 3.413 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2cc(F)cc(F)c2)c1 ZINC000114568070 621015969 /nfs/dbraw/zinc/01/59/69/621015969.db2.gz XNNGZJWLIWPMBN-UHFFFAOYSA-N 0 0 308.284 3.001 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N3CC(CC4CC4)C3)ccc21 ZINC000856850903 621028474 /nfs/dbraw/zinc/02/84/74/621028474.db2.gz FBARDUYIAGRZLN-UHFFFAOYSA-N 0 0 313.445 3.011 20 10 DGCDRN CCOc1cccc(CN[C@@H]2c3ccccc3OC[C@@H]2F)c1O ZINC000922523998 621050815 /nfs/dbraw/zinc/05/08/15/621050815.db2.gz ANUJINWNGPLOGA-WMLDXEAASA-N 0 0 317.360 3.352 20 10 DGCDRN CCOc1ccc(O)c(CN[C@@H]2c3ccccc3OC[C@@H]2F)c1 ZINC000922527439 621051096 /nfs/dbraw/zinc/05/10/96/621051096.db2.gz ZNCVLKMAFGYGQI-MAUKXSAKSA-N 0 0 317.360 3.352 20 10 DGCDRN OC[C@H](CCc1ccccc1)[NH2+]Cc1cc(Cl)ccc1O ZINC000922544736 621054571 /nfs/dbraw/zinc/05/45/71/621054571.db2.gz UHJJXGLXTYJRRG-INIZCTEOSA-N 0 0 305.805 3.129 20 10 DGCDRN CN(C)c1ccc(/C=C\CN[C@H](c2ncccn2)C2CC2)cc1 ZINC000922577265 621059957 /nfs/dbraw/zinc/05/99/57/621059957.db2.gz PNVZGCDMGIQABJ-AJNOYIKESA-N 0 0 308.429 3.297 20 10 DGCDRN O=C(c1c(F)ccc(O)c1O)N1CC[C@@H](C2CCCCC2)C1 ZINC000857316351 621079744 /nfs/dbraw/zinc/07/97/44/621079744.db2.gz VKDWNKUNXGGKKE-GFCCVEGCSA-N 0 0 307.365 3.279 20 10 DGCDRN Cc1cc(C(=O)N2CC(CC3CC3)C2)c(C)n1-c1ccccn1 ZINC000857409905 621086533 /nfs/dbraw/zinc/08/65/33/621086533.db2.gz ZLAZRKWSSMQYKE-UHFFFAOYSA-N 0 0 309.413 3.361 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1scnc1Cl ZINC000857547511 621094911 /nfs/dbraw/zinc/09/49/11/621094911.db2.gz HYIMLZUUHOMJJN-UHFFFAOYSA-N 0 0 303.170 3.086 20 10 DGCDRN COc1ccc(C(=O)NCc2cc(Cl)ccc2O)c(C)c1 ZINC000857547694 621095077 /nfs/dbraw/zinc/09/50/77/621095077.db2.gz PWGOEYCQHGJIEQ-UHFFFAOYSA-N 0 0 305.761 3.293 20 10 DGCDRN CCN(CCCCCS(=O)(=O)CC)c1ccc(OC)cc1 ZINC000789340695 625463761 /nfs/dbraw/zinc/46/37/61/625463761.db2.gz COFHKTPNJFIUNB-UHFFFAOYSA-N 0 0 313.463 3.127 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCCc1cccs1 ZINC000115642627 621120991 /nfs/dbraw/zinc/12/09/91/621120991.db2.gz ZOGMYZIYXCDYHJ-UHFFFAOYSA-N 0 0 317.458 3.164 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C)CC1CCCC1 ZINC000115856215 621152797 /nfs/dbraw/zinc/15/27/97/621152797.db2.gz GAWGKKAJLYSPNX-UHFFFAOYSA-N 0 0 303.450 3.393 20 10 DGCDRN CN(C)c1cc(F)c(CNCc2cccc3c2OCO3)cc1F ZINC000858105860 621153312 /nfs/dbraw/zinc/15/33/12/621153312.db2.gz UNFHVSYNYPBMHM-UHFFFAOYSA-N 0 0 320.339 3.049 20 10 DGCDRN CCc1cc(NCc2c(O)cccc2Br)nn1C ZINC000858180358 621162155 /nfs/dbraw/zinc/16/21/55/621162155.db2.gz SAFSLHRHNPDNRF-UHFFFAOYSA-N 0 0 310.195 3.063 20 10 DGCDRN CN(C)c1cc(F)c(CN[C@@H]2C[C@H](O)c3ccccc32)cc1F ZINC000858190004 621163420 /nfs/dbraw/zinc/16/34/20/621163420.db2.gz XWWXVPBSJRNJDQ-AEFFLSMTSA-N 0 0 318.367 3.299 20 10 DGCDRN CN(C)c1cc(F)c(CN[C@H]2C[C@@H](O)c3ccccc32)cc1F ZINC000858190005 621163453 /nfs/dbraw/zinc/16/34/53/621163453.db2.gz XWWXVPBSJRNJDQ-FUHWJXTLSA-N 0 0 318.367 3.299 20 10 DGCDRN C[C@@H](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C(F)(F)F ZINC000858200208 621164130 /nfs/dbraw/zinc/16/41/30/621164130.db2.gz QHSYTKFJYAPPMU-NSHDSACASA-N 0 0 302.340 3.300 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CC(C)(C)OC2(C)C)cc1 ZINC000858199724 621164192 /nfs/dbraw/zinc/16/41/92/621164192.db2.gz PRZIBMWZFBCNBD-INIZCTEOSA-N 0 0 318.461 3.305 20 10 DGCDRN Cc1ccc(C(C)(C)C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])nc1 ZINC000858241881 621167576 /nfs/dbraw/zinc/16/75/76/621167576.db2.gz IFOXAIKHDRJNDT-UHFFFAOYSA-N 0 0 315.373 3.071 20 10 DGCDRN CC(C)(CNC(=O)NCc1c(O)cccc1F)CC(F)(F)F ZINC000923362503 621179662 /nfs/dbraw/zinc/17/96/62/621179662.db2.gz NVTSRGRQTZWNSH-UHFFFAOYSA-N 0 0 322.302 3.309 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1cc(F)cc(F)c1[O-] ZINC000858453940 621193479 /nfs/dbraw/zinc/19/34/79/621193479.db2.gz QXVATFBFFCOZAG-NHYWBVRUSA-N 0 0 319.351 3.463 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@H]2C[C@@H]2C)cc1 ZINC000858486609 621197307 /nfs/dbraw/zinc/19/73/07/621197307.db2.gz WWJMYQULQUUKCS-SUMWQHHRSA-N 0 0 324.424 3.221 20 10 DGCDRN CCC(O)(CC)C(C)(C)CNC(=O)NCc1cc(C)ccc1O ZINC000858603255 621208856 /nfs/dbraw/zinc/20/88/56/621208856.db2.gz VHZDITLYWNGQGG-UHFFFAOYSA-N 0 0 322.449 3.077 20 10 DGCDRN CCC[C@@H](CNC(=O)NCc1ccc(N(C)C)cc1C)OCC ZINC000858681940 621214248 /nfs/dbraw/zinc/21/42/48/621214248.db2.gz KTCZLFRQGPECAC-KRWDZBQOSA-N 0 0 321.465 3.065 20 10 DGCDRN Cc1cc(CNc2cc(=O)n(C)cn2)c(C)n1-c1cccc(C)c1 ZINC000858800465 621221743 /nfs/dbraw/zinc/22/17/43/621221743.db2.gz LCBROOXOCNVQNX-UHFFFAOYSA-N 0 0 322.412 3.108 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc(C=O)cc1 ZINC000858826759 621223315 /nfs/dbraw/zinc/22/33/15/621223315.db2.gz OLDYABMVADKUGA-UHFFFAOYSA-N 0 0 324.424 3.156 20 10 DGCDRN CCO[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000858835211 621224176 /nfs/dbraw/zinc/22/41/76/621224176.db2.gz CWXBCHWWCPKEOJ-GOSISDBHSA-N 0 0 316.445 3.108 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@]2(C)C[C@H]3C[C@H]3C2)c1 ZINC000858890475 621229099 /nfs/dbraw/zinc/22/90/99/621229099.db2.gz KDNYQFBZSSSZDU-ZIVKBKJYSA-N 0 0 318.417 3.197 20 10 DGCDRN CCCOC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000858910808 621230751 /nfs/dbraw/zinc/23/07/51/621230751.db2.gz ZIZDYRGFAPRWHT-CHWSQXEVSA-N 0 0 324.396 3.076 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)OCCc2ccccc2)c1 ZINC000859007308 621238684 /nfs/dbraw/zinc/23/86/84/621238684.db2.gz ZLCTYJMJMLHOJE-ZDUSSCGKSA-N 0 0 315.369 3.431 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC[C@@H](C)C2)cc1 ZINC000859048462 621242882 /nfs/dbraw/zinc/24/28/82/621242882.db2.gz KGMRSDRYPSZOMB-CQSZACIVSA-N 0 0 324.424 3.318 20 10 DGCDRN COc1cncc(CN(c2ccc(OC)c(F)c2)C(C)C)n1 ZINC000859184995 621258284 /nfs/dbraw/zinc/25/82/84/621258284.db2.gz JBCYXKQHRWHYBA-UHFFFAOYSA-N 0 0 305.353 3.048 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000838485083 621259370 /nfs/dbraw/zinc/25/93/70/621259370.db2.gz BOZDFMYBDYFLSJ-BPQIPLTHSA-N 0 0 311.429 3.051 20 10 DGCDRN C[C@H](NC(=O)NC1(C2(C)CC2)CC1)c1ccc(N(C)C)cc1 ZINC000838559152 621263053 /nfs/dbraw/zinc/26/30/53/621263053.db2.gz KREYHGRXYUQMCT-ZDUSSCGKSA-N 0 0 301.434 3.446 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC2CCC2)cc1 ZINC000859267402 621266267 /nfs/dbraw/zinc/26/62/67/621266267.db2.gz XSURDHGARWHNRE-UHFFFAOYSA-N 0 0 310.397 3.118 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NC[C@]1(C)CC1(Cl)Cl ZINC000838667638 621270929 /nfs/dbraw/zinc/27/09/29/621270929.db2.gz IKZJOMRKQZEPHU-ZDUSSCGKSA-N 0 0 317.216 3.118 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2C[C@@H](C)C(F)(F)[C@@H](C)C2)c1O ZINC000859411806 621275471 /nfs/dbraw/zinc/27/54/71/621275471.db2.gz NHERVUJFKZDDMG-AOOOYVTPSA-N 0 0 315.335 3.457 20 10 DGCDRN CC(C)[C@]1(C)C[C@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000838767093 621276165 /nfs/dbraw/zinc/27/61/65/621276165.db2.gz WIJBOUGZTHBDQO-AEFFLSMTSA-N 0 0 303.450 3.329 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000838775412 621279224 /nfs/dbraw/zinc/27/92/24/621279224.db2.gz XNONWWDPDPOJKR-NJAFHUGGSA-N 0 0 315.461 3.473 20 10 DGCDRN C[C@@H]1C[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000103413691 621363114 /nfs/dbraw/zinc/36/31/14/621363114.db2.gz YCGOJFXJJQVXCL-BXUZGUMPSA-N 0 0 314.351 3.300 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CC2CCOCC2)cc1F ZINC000117256471 621374947 /nfs/dbraw/zinc/37/49/47/621374947.db2.gz WWKJPQQWCKMQOR-UHFFFAOYSA-N 0 0 322.424 3.105 20 10 DGCDRN COc1cccc(CNC(=O)c2oc(C(F)F)cc2C)c1O ZINC000860240657 621385826 /nfs/dbraw/zinc/38/58/26/621385826.db2.gz JRLRTLNFMJOPBN-UHFFFAOYSA-N 0 0 311.284 3.170 20 10 DGCDRN COC(=O)c1cc(CN(C)c2ccc(OC)cc2OC)cs1 ZINC000839529109 621387919 /nfs/dbraw/zinc/38/79/19/621387919.db2.gz XPHVETWNFVJNDU-UHFFFAOYSA-N 0 0 321.398 3.188 20 10 DGCDRN C/C(=C\C(=O)NCc1ccccc1O)c1ccc([N+](=O)[O-])cc1 ZINC000752596418 621401648 /nfs/dbraw/zinc/40/16/48/621401648.db2.gz MLNPVPPNHILMHY-ZRDIBKRKSA-N 0 0 312.325 3.020 20 10 DGCDRN CCOc1cccc(NC(=S)NCc2ncccc2F)c1 ZINC000752765770 621409261 /nfs/dbraw/zinc/40/92/61/621409261.db2.gz DMJMYNNXISWSAJ-UHFFFAOYSA-N 0 0 305.378 3.106 20 10 DGCDRN C[C@H](NC(=O)C1=CC(=O)CS1)[C@H]1Oc2ccccc2[C@H]1C ZINC000752824819 621412407 /nfs/dbraw/zinc/41/24/07/621412407.db2.gz ZUPOJUXKVUSTLM-FTGAXOIBSA-N 0 0 303.383 3.137 20 10 DGCDRN CS[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)C(C)(C)C ZINC000752879348 621413970 /nfs/dbraw/zinc/41/39/70/621413970.db2.gz XRJNPDHHMUWICK-IZPAUZPXSA-N 0 0 309.431 3.005 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@H](C)C1(C)CC1 ZINC000752976760 621418477 /nfs/dbraw/zinc/41/84/77/621418477.db2.gz LXDPSPZYUBWYOE-CQSZACIVSA-N 0 0 303.450 3.391 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC1(C)CC1 ZINC000753026384 621420681 /nfs/dbraw/zinc/42/06/81/621420681.db2.gz WAJMGNIMIOFIJK-UHFFFAOYSA-N 0 0 303.450 3.473 20 10 DGCDRN C[C@H](NC(=O)N1CCSC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000753203863 621430830 /nfs/dbraw/zinc/43/08/30/621430830.db2.gz KWRSAGBFDZHDQS-KGLIPLIRSA-N 0 0 321.490 3.208 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CCCCS2)c1 ZINC000753261440 621434453 /nfs/dbraw/zinc/43/44/53/621434453.db2.gz IBWKYHDKWUPEER-DGCLKSJQSA-N 0 0 324.446 3.047 20 10 DGCDRN COc1ccc(O)c(CNc2cn(C)nc2-c2ccccc2)c1 ZINC000753569679 621449681 /nfs/dbraw/zinc/44/96/81/621449681.db2.gz SWODNCIOYFFNKL-UHFFFAOYSA-N 0 0 309.369 3.413 20 10 DGCDRN CCc1ccc(CN(C)c2ccc(OCC(=O)OC)cc2)s1 ZINC000753592100 621452334 /nfs/dbraw/zinc/45/23/34/621452334.db2.gz QPCMRVOIRSBUSM-UHFFFAOYSA-N 0 0 319.426 3.499 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2cccc(N(C)C)c2C)c1 ZINC000860882390 621454880 /nfs/dbraw/zinc/45/48/80/621454880.db2.gz BTZPXJWRQFOOJY-UHFFFAOYSA-N 0 0 313.401 3.397 20 10 DGCDRN CC[C@@H](C)n1ncc(NC(=O)NCc2cc(C)ccc2O)c1C ZINC000861014604 621467486 /nfs/dbraw/zinc/46/74/86/621467486.db2.gz PCSAQGSYJNEEOY-GFCCVEGCSA-N 0 0 316.405 3.498 20 10 DGCDRN Cc1ccc(CC(=O)NCc2ccc(N3CCCCC3)cc2)o1 ZINC000753960541 621474282 /nfs/dbraw/zinc/47/42/82/621474282.db2.gz CPHOPULQHGJSID-UHFFFAOYSA-N 0 0 312.413 3.437 20 10 DGCDRN Cc1ccc(/C=C/C(=O)N2C[C@@H](C)Oc3cc(F)ccc32)cn1 ZINC000754308181 621502361 /nfs/dbraw/zinc/50/23/61/621502361.db2.gz NOSNWRWCJVUQGL-OQHXTRMZSA-N 0 0 312.344 3.356 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](OCC)C1CC1 ZINC000861561500 621521713 /nfs/dbraw/zinc/52/17/13/621521713.db2.gz HRWCLJFZJIZZFZ-QGZVFWFLSA-N 0 0 305.418 3.336 20 10 DGCDRN COc1ccc(N(C)CCN(C)c2ccccc2)cc1OC ZINC000754641278 621522055 /nfs/dbraw/zinc/52/20/55/621522055.db2.gz RQLPOHVRYJBNGI-UHFFFAOYSA-N 0 0 300.402 3.276 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1nn(C)cc1Cl ZINC000861562017 621522132 /nfs/dbraw/zinc/52/21/32/621522132.db2.gz RGWPITHJQRTEMA-UHFFFAOYSA-N 0 0 321.808 3.222 20 10 DGCDRN Cc1cc(C(=O)CN(C)CC(F)F)c(C)n1-c1ccccc1 ZINC000754667639 621523607 /nfs/dbraw/zinc/52/36/07/621523607.db2.gz DSZXISADLKONOB-UHFFFAOYSA-N 0 0 306.356 3.474 20 10 DGCDRN Oc1cc2c(cc1CN1CCCc3cc(F)ccc31)OCO2 ZINC000754746404 621530505 /nfs/dbraw/zinc/53/05/05/621530505.db2.gz YFMAPZOQJYYCFT-UHFFFAOYSA-N 0 0 301.317 3.213 20 10 DGCDRN CCC(NC(=O)NCCc1ccc(N)cc1)(C1CC1)C1CC1 ZINC000861641177 621530746 /nfs/dbraw/zinc/53/07/46/621530746.db2.gz QEWMYIALQDEYQI-UHFFFAOYSA-N 0 0 301.434 3.079 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1C[C@H](C)[C@H]1C ZINC000861836920 621540160 /nfs/dbraw/zinc/54/01/60/621540160.db2.gz NOTQFGLFESJLDC-GXTWGEPZSA-N 0 0 310.397 3.387 20 10 DGCDRN C[C@H]1CN(C(=O)C2=CC(=O)CS2)[C@@H](c2ccccc2)CO1 ZINC000754907765 621540906 /nfs/dbraw/zinc/54/09/06/621540906.db2.gz PCOFYEPJLPPLKY-SMDDNHRTSA-N 0 0 303.383 3.056 20 10 DGCDRN O=C(CCCC(F)(F)F)NCc1ccc2cccnc2c1O ZINC000862027434 621551076 /nfs/dbraw/zinc/55/10/76/621551076.db2.gz RXUOLKLCORUJKS-UHFFFAOYSA-N 0 0 312.291 3.289 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)[C@H]1C[C@H]1C1CCCC1 ZINC000862025503 621551146 /nfs/dbraw/zinc/55/11/46/621551146.db2.gz WPPJYPAZTWDEGQ-HOTGVXAUSA-N 0 0 310.397 3.383 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2CC23CC3)c1 ZINC000862036552 621551543 /nfs/dbraw/zinc/55/15/43/621551543.db2.gz ZEGPDHURVVSRMT-KRWDZBQOSA-N 0 0 308.381 3.189 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H]2CC23CC3)cc1 ZINC000862035690 621551732 /nfs/dbraw/zinc/55/17/32/621551732.db2.gz CJYGIIQYAAWFRO-SFHVURJKSA-N 0 0 322.408 3.118 20 10 DGCDRN CC(C)[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000755127212 621553748 /nfs/dbraw/zinc/55/37/48/621553748.db2.gz OCEYAVOTIFPQHA-QGZVFWFLSA-N 0 0 315.461 3.474 20 10 DGCDRN C[C@H](CCCC(F)(F)F)NC(=O)NCc1ccccc1O ZINC000755295536 621563521 /nfs/dbraw/zinc/56/35/21/621563521.db2.gz FGEIDJFRVOZFHT-SNVBAGLBSA-N 0 0 304.312 3.313 20 10 DGCDRN CN(Cc1cscn1)Cc1c(O)cccc1Br ZINC000862234648 621565024 /nfs/dbraw/zinc/56/50/24/621565024.db2.gz WJRIHEVKTZZQID-UHFFFAOYSA-N 0 0 313.220 3.243 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)C[C@@H]2CCO[C@H](C(C)C)C2)c1 ZINC000862756905 621613676 /nfs/dbraw/zinc/61/36/76/621613676.db2.gz AEGIGFLDISBZMS-PBHICJAKSA-N 0 0 305.418 3.158 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CCC(=O)c3ccccc32)c1 ZINC000862755115 621613760 /nfs/dbraw/zinc/61/37/60/621613760.db2.gz DJTLCUFGVZMEMX-MRXNPFEDSA-N 0 0 309.365 3.077 20 10 DGCDRN COc1cccc2c1[C@@H](C(=O)NCc1cc(C)ccc1O)CC2 ZINC000862755829 621613863 /nfs/dbraw/zinc/61/38/63/621613863.db2.gz ZGJFZWMRIZCWAN-HNNXBMFYSA-N 0 0 311.381 3.055 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CCOc2cc(C)ccc2C)c1 ZINC000862761150 621614720 /nfs/dbraw/zinc/61/47/20/621614720.db2.gz GQDRWRMQKZPQTF-UHFFFAOYSA-N 0 0 313.397 3.403 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)c1 ZINC000862760342 621614768 /nfs/dbraw/zinc/61/47/68/621614768.db2.gz QMGXCSJJXDJZBM-UKRRQHHQSA-N 0 0 317.335 3.399 20 10 DGCDRN Cc1ccc(C(=O)CCC(=O)NCc2cc(C)ccc2O)s1 ZINC000862761239 621614786 /nfs/dbraw/zinc/61/47/86/621614786.db2.gz KSAGVCBDIGBZIH-UHFFFAOYSA-N 0 0 317.410 3.350 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[C@H]2C)cc1F ZINC000805094029 621615293 /nfs/dbraw/zinc/61/52/93/621615293.db2.gz GKAAJAYKXUDWDG-DOMZBBRYSA-N 0 0 307.413 3.270 20 10 DGCDRN COC(=O)[C@@H](CC1CCCCC1)NCc1cccc(C)c1O ZINC000756147148 621618784 /nfs/dbraw/zinc/61/87/84/621618784.db2.gz NKPWUVCMGGZZMG-MRXNPFEDSA-N 0 0 305.418 3.302 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](Cc1ccccc1)N(C)C)c1ccc(F)cc1[O-] ZINC000756340345 621629243 /nfs/dbraw/zinc/62/92/43/621629243.db2.gz DWWUSEKJJQTFQI-PBHICJAKSA-N 0 0 316.420 3.355 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCc2cccc(F)c2)c1 ZINC000756360356 621630977 /nfs/dbraw/zinc/63/09/77/621630977.db2.gz RXVGHSGHOJDTDU-LBPRGKRZSA-N 0 0 317.360 3.211 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@H](CC(=O)[O-])C(C)C)cc1F ZINC000756363169 621631567 /nfs/dbraw/zinc/63/15/67/621631567.db2.gz UWTXTILYGBSCND-OAHLLOKOSA-N 0 0 310.413 3.261 20 10 DGCDRN CC(C)N(CC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C(C)C ZINC000756369673 621632327 /nfs/dbraw/zinc/63/23/27/621632327.db2.gz CRZZVZMKGRFYBL-LBPRGKRZSA-N 0 0 300.393 3.440 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)Cc2ccco2)c1 ZINC000756381167 621633343 /nfs/dbraw/zinc/63/33/43/621633343.db2.gz XTRSYBXELXKYOX-NWDGAFQWSA-N 0 0 303.358 3.054 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@@]2(C)C(=O)[O-])cc1 ZINC000756390690 621634701 /nfs/dbraw/zinc/63/47/01/621634701.db2.gz VVCWHUXXCAYVFN-SJLPKXTDSA-N 0 0 304.434 3.266 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1cc(F)cc(F)c1[O-] ZINC000756402723 621635647 /nfs/dbraw/zinc/63/56/47/621635647.db2.gz OFJXHUCIQTWUCA-XPTSAGLGSA-N 0 0 307.344 3.132 20 10 DGCDRN C[C@@H]([NH2+]CCN(C)Cc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756448631 621639116 /nfs/dbraw/zinc/63/91/16/621639116.db2.gz DMDGHRNDIADNOR-CYBMUJFWSA-N 0 0 320.383 3.453 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756442611 621639173 /nfs/dbraw/zinc/63/91/73/621639173.db2.gz FLHNXJKSNWTHJS-NXEZZACHSA-N 0 0 303.233 3.444 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2)c1 ZINC000756459812 621640192 /nfs/dbraw/zinc/64/01/92/621640192.db2.gz XNHLUGRTQHCALG-SNVBAGLBSA-N 0 0 321.323 3.308 20 10 DGCDRN C[C@@H]([NH2+]CCN1Cc2ccccc2C1)c1cc(F)cc(F)c1[O-] ZINC000756479421 621640871 /nfs/dbraw/zinc/64/08/71/621640871.db2.gz MWKCVBJKUHADHM-GFCCVEGCSA-N 0 0 318.367 3.337 20 10 DGCDRN C[C@@H]([NH2+]CCn1cnc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000756481942 621641126 /nfs/dbraw/zinc/64/11/26/621641126.db2.gz HBHIVBYAWCPNOH-LLVKDONJSA-N 0 0 317.339 3.371 20 10 DGCDRN Cc1cc(CNC(=O)/C=C\[C@@H]2CCCO2)c(C)n1-c1ccccc1 ZINC000863163903 621644074 /nfs/dbraw/zinc/64/40/74/621644074.db2.gz SSRZUFWYVIYGIU-GDWUOILNSA-N 0 0 324.424 3.446 20 10 DGCDRN Cc1cc(CNC(=O)CCc2ccon2)c(C)n1-c1ccccc1 ZINC000863164561 621644335 /nfs/dbraw/zinc/64/43/35/621644335.db2.gz NROCMYTZHQDBGV-UHFFFAOYSA-N 0 0 323.396 3.331 20 10 DGCDRN Cc1cc(CNC(=O)[C@H]2CCC=CO2)c(C)n1-c1ccccc1 ZINC000863165774 621644606 /nfs/dbraw/zinc/64/46/06/621644606.db2.gz NRDNPEKMDSKKIY-GOSISDBHSA-N 0 0 310.397 3.403 20 10 DGCDRN CCOCCC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000863165269 621644759 /nfs/dbraw/zinc/64/47/59/621644759.db2.gz QPIPHNKGLOFYMD-UHFFFAOYSA-N 0 0 300.402 3.137 20 10 DGCDRN CO[C@H](C)CC[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756525387 621644862 /nfs/dbraw/zinc/64/48/62/621644862.db2.gz BMDMUQLHOXXHDF-BDAKNGLRSA-N 0 0 320.202 3.369 20 10 DGCDRN CO[C@H](C)CC[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756525394 621644891 /nfs/dbraw/zinc/64/48/91/621644891.db2.gz BMDMUQLHOXXHDF-RKDXNWHRSA-N 0 0 320.202 3.369 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)c2nc(C)cs2)c1 ZINC000756533761 621645919 /nfs/dbraw/zinc/64/59/19/621645919.db2.gz IBQFUOSITGUTAB-QWRGUYRKSA-N 0 0 320.414 3.356 20 10 DGCDRN C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc(F)cc(F)c1[O-] ZINC000756536934 621646082 /nfs/dbraw/zinc/64/60/82/621646082.db2.gz XINVFMYAPQVYJR-JTQLQIEISA-N 0 0 322.311 3.472 20 10 DGCDRN COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756563013 621649215 /nfs/dbraw/zinc/64/92/15/621649215.db2.gz KXGMJTGNTKLQFY-QFYYESIMSA-N 0 0 323.339 3.063 20 10 DGCDRN Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756570319 621650248 /nfs/dbraw/zinc/65/02/48/621650248.db2.gz AMIYDXSZHNHNQK-RKDXNWHRSA-N 0 0 305.334 3.317 20 10 DGCDRN CC[S@@](=O)CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756576157 621650530 /nfs/dbraw/zinc/65/05/30/621650530.db2.gz LFXBDDZPKPAUMX-DCXZOGHSSA-N 0 0 310.246 3.118 20 10 DGCDRN Cc1ccc([C@@H](C)NCc2n[nH]cc2Br)c(O)c1C ZINC000756585060 621651063 /nfs/dbraw/zinc/65/10/63/621651063.db2.gz JQBXAVKBVBCZBK-SNVBAGLBSA-N 0 0 324.222 3.345 20 10 DGCDRN CCCC(O)(CCC)C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756591418 621651613 /nfs/dbraw/zinc/65/16/13/621651613.db2.gz GKPLLZLRQXJSQR-CYBMUJFWSA-N 0 0 323.433 3.161 20 10 DGCDRN C[C@H]([NH2+]C[C@](C)(O)c1cccs1)c1cc(F)cc(F)c1[O-] ZINC000756593025 621651765 /nfs/dbraw/zinc/65/17/65/621651765.db2.gz LCSBISQCLLOSSG-VFZGTOFNSA-N 0 0 313.369 3.290 20 10 DGCDRN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C12CCC2 ZINC000756615095 621653224 /nfs/dbraw/zinc/65/32/24/621653224.db2.gz VSFPVORDWWUSAF-XFBWCDHKSA-N 0 0 320.389 3.299 20 10 DGCDRN Cc1cccn2cc(CC[NH2+][C@@H](C)c3ccc(F)cc3[O-])nc12 ZINC000756628357 621653628 /nfs/dbraw/zinc/65/36/28/621653628.db2.gz LPSOOYFIIGQQNG-ZDUSSCGKSA-N 0 0 313.376 3.381 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)c2ccncc2)c1 ZINC000756632964 621654699 /nfs/dbraw/zinc/65/46/99/621654699.db2.gz GCWNCGXXWBRDFF-CHWSQXEVSA-N 0 0 314.385 3.028 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2CCC(OC)CC2)c1 ZINC000756640897 621655317 /nfs/dbraw/zinc/65/53/17/621655317.db2.gz DMOUCWKWRKSQSA-DNOWBOINSA-N 0 0 321.417 3.035 20 10 DGCDRN Cc1c(CN(C)c2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000756653190 621656061 /nfs/dbraw/zinc/65/60/61/621656061.db2.gz CZXJQGADRNWEQS-UHFFFAOYSA-N 0 0 300.314 3.268 20 10 DGCDRN C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756678105 621658261 /nfs/dbraw/zinc/65/82/61/621658261.db2.gz UWHLHIGWZHVGGI-HFAKWTLXSA-N 0 0 320.345 3.056 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)c2cnccc2C)c1 ZINC000756675957 621658446 /nfs/dbraw/zinc/65/84/46/621658446.db2.gz JHBFXPRCHGSITI-OLZOCXBDSA-N 0 0 314.385 3.294 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)c2cnccc2C)c1 ZINC000756675959 621658563 /nfs/dbraw/zinc/65/85/63/621658563.db2.gz JHBFXPRCHGSITI-STQMWFEESA-N 0 0 314.385 3.294 20 10 DGCDRN CC(C)[C@H]1OCCC[C@@H]1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756736367 621661800 /nfs/dbraw/zinc/66/18/00/621661800.db2.gz MZBOTCYMNMUVDP-OGHNNQOOSA-N 0 0 322.405 3.402 20 10 DGCDRN Cc1ccsc1[C@H](CO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756736929 621661869 /nfs/dbraw/zinc/66/18/69/621661869.db2.gz PXUVVWWBMSKBTA-MFKMUULPSA-N 0 0 322.386 3.055 20 10 DGCDRN Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756735695 621661894 /nfs/dbraw/zinc/66/18/94/621661894.db2.gz GYTCIEMOMLXBQD-ZANVPECISA-N 0 0 313.369 3.425 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc2c(c1)COC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756757299 621662217 /nfs/dbraw/zinc/66/22/17/621662217.db2.gz CQORKRINFQLMJP-LLVKDONJSA-N 0 0 314.341 3.181 20 10 DGCDRN Cc1cccc([C@@H](O)C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756762750 621662763 /nfs/dbraw/zinc/66/27/63/621662763.db2.gz RAHWXZPBWGQJSC-BZNIZROVSA-N 0 0 307.340 3.363 20 10 DGCDRN Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])CO2 ZINC000756760399 621662862 /nfs/dbraw/zinc/66/28/62/621662862.db2.gz ONSHIRXUYFIQDY-XHDPSFHLSA-N 0 0 314.341 3.393 20 10 DGCDRN Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])CO2 ZINC000756760394 621662874 /nfs/dbraw/zinc/66/28/74/621662874.db2.gz ONSHIRXUYFIQDY-IAQYHMDHSA-N 0 0 314.341 3.393 20 10 DGCDRN C[C@H]([NH2+]CCc1cnc(C2CC2)nc1)c1ccc(F)cc1[O-] ZINC000756770473 621663229 /nfs/dbraw/zinc/66/32/29/621663229.db2.gz XPCPNIAJPKYQIF-NSHDSACASA-N 0 0 301.365 3.092 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCc2sccc2C)c1 ZINC000756788959 621664764 /nfs/dbraw/zinc/66/47/64/621664764.db2.gz ZLBJWKVRYPMKSV-GFCCVEGCSA-N 0 0 319.426 3.442 20 10 DGCDRN C[C@H](Nc1cccc(OCC(N)=O)c1)c1cc(Cl)ccc1O ZINC000756802628 621665755 /nfs/dbraw/zinc/66/57/55/621665755.db2.gz SWWBAKGCUDRBPR-JTQLQIEISA-N 0 0 320.776 3.083 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)C(C)(C)O)c1cc(Br)c(F)cc1[O-] ZINC000756820573 621666648 /nfs/dbraw/zinc/66/66/48/621666648.db2.gz YHHUJONALKALBM-YUMQZZPRSA-N 0 0 320.202 3.104 20 10 DGCDRN C[C@H](Nc1ccc(CS(C)(=O)=O)cc1)c1ccc(F)cc1O ZINC000756833380 621667062 /nfs/dbraw/zinc/66/70/62/621667062.db2.gz ZDULENFMIGTOOO-NSHDSACASA-N 0 0 323.389 3.249 20 10 DGCDRN C[C@@H](Nc1cnn(CC(F)F)c1)c1cc(F)cc(F)c1O ZINC000756843405 621667684 /nfs/dbraw/zinc/66/76/84/621667684.db2.gz DXLKBMCIXRQXSQ-SSDOTTSWSA-N 0 0 303.259 3.305 20 10 DGCDRN CC[C@H]1CC[C@H](C(=O)N(C)Cc2ccc(N(CC)CC)cc2)O1 ZINC000756906775 621671898 /nfs/dbraw/zinc/67/18/98/621671898.db2.gz ASJAYFGGDVLABB-ZWKOTPCHSA-N 0 0 318.461 3.449 20 10 DGCDRN CC[C@H]1CC[C@H](C(=O)NCc2ccc(N(CC)CC)cc2)O1 ZINC000756916763 621672819 /nfs/dbraw/zinc/67/28/19/621672819.db2.gz INVNFPNITXXKEF-DLBZAZTESA-N 0 0 304.434 3.107 20 10 DGCDRN CCc1csc(N(C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000756955795 621674999 /nfs/dbraw/zinc/67/49/99/621674999.db2.gz CNUFXIVREVWJSZ-UHFFFAOYSA-N 0 0 317.458 3.179 20 10 DGCDRN CC[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(N(C)C)cc1C ZINC000756984103 621677563 /nfs/dbraw/zinc/67/75/63/621677563.db2.gz CRLSMFBXLKCURB-PBHICJAKSA-N 0 0 303.450 3.439 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC(C)(C)CCOC)cc1 ZINC000757171706 621691665 /nfs/dbraw/zinc/69/16/65/621691665.db2.gz LYVXKPCSBVRCDL-UHFFFAOYSA-N 0 0 321.465 3.147 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2cccs2)c1 ZINC000103505074 621697807 /nfs/dbraw/zinc/69/78/07/621697807.db2.gz QXZKGEOCJUOWNM-JTQLQIEISA-N 0 0 306.387 3.023 20 10 DGCDRN CC1(C)C[C@H](C(=O)NCc2ccccc2O)c2ccccc2O1 ZINC000839612484 621703568 /nfs/dbraw/zinc/70/35/68/621703568.db2.gz PXBMSQKIKXQFFP-HNNXBMFYSA-N 0 0 311.381 3.353 20 10 DGCDRN COc1cc2c(c(OC)c1)N(C[C@H]1CCO[C@@H](C)C1)CCC2 ZINC000839656408 621704393 /nfs/dbraw/zinc/70/43/93/621704393.db2.gz KFJXJHAVPAAOPP-KBPBESRZSA-N 0 0 305.418 3.272 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC000863738657 621705785 /nfs/dbraw/zinc/70/57/85/621705785.db2.gz DAHJLSVPVKJHJT-WMLDXEAASA-N 0 0 304.434 3.075 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2)c1 ZINC000103530452 621707466 /nfs/dbraw/zinc/70/74/66/621707466.db2.gz PVUMGILHKJYZGW-CHWSQXEVSA-N 0 0 315.369 3.046 20 10 DGCDRN CCn1c(C)cc(C(=O)N[C@H](C)c2cc(OC)ccc2O)c1C ZINC000103528966 621711759 /nfs/dbraw/zinc/71/17/59/621711759.db2.gz REBFHMFVWUDQMY-GFCCVEGCSA-N 0 0 316.401 3.330 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](C)c1cncnc1 ZINC000863913663 621718381 /nfs/dbraw/zinc/71/83/81/621718381.db2.gz XUWMKEAVKLGBDU-CQSZACIVSA-N 0 0 313.401 3.115 20 10 DGCDRN CCOc1ccc(CNc2ccc(C(=O)OC)c(F)c2)c(O)c1 ZINC000864008432 621726699 /nfs/dbraw/zinc/72/66/99/621726699.db2.gz FBYAVMPGTFWKGZ-UHFFFAOYSA-N 0 0 319.332 3.329 20 10 DGCDRN Cc1ccc([C@H](C)Nc2cccc([C@H]3CNC(=O)C3)c2)c(O)c1 ZINC000757619050 621728820 /nfs/dbraw/zinc/72/88/20/621728820.db2.gz KDWPHTDXSDTKBX-DZGCQCFKSA-N 0 0 310.397 3.477 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1cccc(-n2nccn2)c1 ZINC000864042921 621730962 /nfs/dbraw/zinc/73/09/62/621730962.db2.gz DIDGZXSUKHDXCQ-UHFFFAOYSA-N 0 0 307.401 3.254 20 10 DGCDRN COc1ccc(N(C)CC(=O)N(C)CC2CCCCC2)cc1F ZINC000757851950 621742970 /nfs/dbraw/zinc/74/29/70/621742970.db2.gz HXRLXUMIVLWKJV-UHFFFAOYSA-N 0 0 322.424 3.309 20 10 DGCDRN COc1ccc(N(C)CCOCCOc2ccccc2)cc1F ZINC000757851569 621743040 /nfs/dbraw/zinc/74/30/40/621743040.db2.gz MLNXJKVZTSVUBV-UHFFFAOYSA-N 0 0 319.376 3.366 20 10 DGCDRN Cc1cc(S(=O)(=O)Nc2ccc(O)cc2F)sc1C ZINC000758169352 621762924 /nfs/dbraw/zinc/76/29/24/621762924.db2.gz PXHVPUSHLCWNLL-UHFFFAOYSA-N 0 0 301.364 3.010 20 10 DGCDRN CCN1CCC([N@H+](C)Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000120035510 621763283 /nfs/dbraw/zinc/76/32/83/621763283.db2.gz WFHZSDXSFZNQAC-UHFFFAOYSA-N 0 0 324.852 3.164 20 10 DGCDRN O=C([O-])[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000864526319 621778840 /nfs/dbraw/zinc/77/88/40/621778840.db2.gz XXBSORYWUDFNDF-QAQDUYKDSA-N 0 0 316.445 3.410 20 10 DGCDRN CN(C)c1ccc(NCc2cc3c(cc2O)OCO3)cc1Cl ZINC000120139504 621790944 /nfs/dbraw/zinc/79/09/44/621790944.db2.gz GSLZHDQCGUWNGN-UHFFFAOYSA-N 0 0 320.776 3.452 20 10 DGCDRN Nc1ccc(-n2cc(CN[C@@H]3CCCc4ccccc43)nn2)cc1 ZINC000864619187 621792194 /nfs/dbraw/zinc/79/21/94/621792194.db2.gz AROKPTQLMDSNIK-LJQANCHMSA-N 0 0 319.412 3.017 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)Cc2cccnc2Cl)cc1 ZINC000864634986 621794561 /nfs/dbraw/zinc/79/45/61/621794561.db2.gz VUEZNRRCZWLNJS-UHFFFAOYSA-N 0 0 317.820 3.002 20 10 DGCDRN Nc1ccc(OCc2cn(C[C@H]3CCCCC3(F)F)nn2)cc1 ZINC000864633066 621794639 /nfs/dbraw/zinc/79/46/39/621794639.db2.gz YFUIPRYTEALOBD-GFCCVEGCSA-N 0 0 322.359 3.265 20 10 DGCDRN Nc1ccc(OCc2cn(C[C@@H]3CCCCC3(F)F)nn2)cc1 ZINC000864633067 621794777 /nfs/dbraw/zinc/79/47/77/621794777.db2.gz YFUIPRYTEALOBD-LBPRGKRZSA-N 0 0 322.359 3.265 20 10 DGCDRN Cc1nocc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000864638244 621795169 /nfs/dbraw/zinc/79/51/69/621795169.db2.gz VSRSXFNDXBYCQX-UHFFFAOYSA-N 0 0 313.401 3.246 20 10 DGCDRN CCCCCS(=O)(=O)NCc1ccc(N(CC)CC)cc1 ZINC000759002748 621818145 /nfs/dbraw/zinc/81/81/45/621818145.db2.gz FATXQONZIZQWJB-UHFFFAOYSA-N 0 0 312.479 3.142 20 10 DGCDRN CCCC1(C(=O)N2CCN(c3ccc(OC)cc3)CC2)CCC1 ZINC000759112621 621825643 /nfs/dbraw/zinc/82/56/43/621825643.db2.gz XRLXNWKDFJFGOA-UHFFFAOYSA-N 0 0 316.445 3.314 20 10 DGCDRN C[C@@H](NC(=O)N[C@H]1CC12CCCC2)c1ccc(N(C)C)cc1 ZINC000759166417 621831328 /nfs/dbraw/zinc/83/13/28/621831328.db2.gz JKSDGSBBDHYWKU-CJNGLKHVSA-N 0 0 301.434 3.446 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CC12CCCC2 ZINC000759324692 621845629 /nfs/dbraw/zinc/84/56/29/621845629.db2.gz XYECWOMPYPOSAD-QGZVFWFLSA-N 0 0 314.429 3.403 20 10 DGCDRN C[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)c1ccncc1 ZINC000865031320 621848961 /nfs/dbraw/zinc/84/89/61/621848961.db2.gz LTYDSBWNHUCJAR-MRXNPFEDSA-N 0 0 323.440 3.492 20 10 DGCDRN CC/C=C(\F)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000865115230 621861059 /nfs/dbraw/zinc/86/10/59/621861059.db2.gz HFQADXPWFAGMTJ-XRVIQIRUSA-N 0 0 306.381 3.044 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCc1ccc2c(c1)CCC2 ZINC000759589797 621873483 /nfs/dbraw/zinc/87/34/83/621873483.db2.gz SZGJIVCVMQHYCN-TWGQIWQCSA-N 0 0 310.349 3.343 20 10 DGCDRN CC(C)[C@H]1CCCN1C(=O)NCCCSc1nccs1 ZINC000759591613 621873508 /nfs/dbraw/zinc/87/35/08/621873508.db2.gz YHKRKMDQWQDLOU-GFCCVEGCSA-N 0 0 313.492 3.455 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccc(F)c(F)c1 ZINC000759595718 621874130 /nfs/dbraw/zinc/87/41/30/621874130.db2.gz LJAGXKPCUHZROS-ZZXKWVIFSA-N 0 0 320.291 3.175 20 10 DGCDRN CC[C@@H]1C[C@@H](C)CN1C(=O)NCCCSc1nccs1 ZINC000759602499 621874764 /nfs/dbraw/zinc/87/47/64/621874764.db2.gz VYNAKAULFNUVFB-VXGBXAGGSA-N 0 0 313.492 3.455 20 10 DGCDRN C[C@@H](NC(=S)N1Cc2cccc(O)c2C1)c1cccs1 ZINC000865258364 621882664 /nfs/dbraw/zinc/88/26/64/621882664.db2.gz DGRAZXUPEWXEQE-SNVBAGLBSA-N 0 0 304.440 3.405 20 10 DGCDRN CC(C)(C)c1cnc(SCCCN2CCOC2=O)s1 ZINC000759718270 621885851 /nfs/dbraw/zinc/88/58/51/621885851.db2.gz LXNNCZQGXWJCKZ-UHFFFAOYSA-N 0 0 300.449 3.375 20 10 DGCDRN C[C@H]1C[C@@H]1c1nnc(NCc2cc(F)c(N(C)C)cc2F)o1 ZINC000865294854 621892065 /nfs/dbraw/zinc/89/20/65/621892065.db2.gz VBPUDCGHOAVDMM-WPRPVWTQSA-N 0 0 308.332 3.149 20 10 DGCDRN CC(C)Oc1ccc(N(C)Cc2ccc3c(c2)nnn3C)cc1 ZINC000759933073 621903741 /nfs/dbraw/zinc/90/37/41/621903741.db2.gz IRVSGHJGUZUYRA-UHFFFAOYSA-N 0 0 310.401 3.392 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(CC)nnc1C ZINC000759933358 621903767 /nfs/dbraw/zinc/90/37/67/621903767.db2.gz VBYLBHODGPDUSS-UHFFFAOYSA-N 0 0 313.401 3.105 20 10 DGCDRN C[C@H](NC(=O)C1=CC(=O)CS1)c1ccccc1-n1cccn1 ZINC000760150530 621918341 /nfs/dbraw/zinc/91/83/41/621918341.db2.gz UERYQNNMHXKEEA-NSHDSACASA-N 0 0 313.382 3.130 20 10 DGCDRN Oc1ccccc1CNc1nccc(OCc2ccccc2)n1 ZINC000760232334 621923164 /nfs/dbraw/zinc/92/31/64/621923164.db2.gz RBZRWRUIYZGDJY-UHFFFAOYSA-N 0 0 307.353 3.373 20 10 DGCDRN CCOC(=O)/C(=C\c1cnc(C2CCC2)s1)c1nccn1C ZINC000760265512 621926066 /nfs/dbraw/zinc/92/60/66/621926066.db2.gz PCNAYCGMXMFPMV-LCYFTJDESA-N 0 0 317.414 3.248 20 10 DGCDRN O=[N+]([O-])c1cc(F)cnc1NCCCSc1nccs1 ZINC000865536808 621945901 /nfs/dbraw/zinc/94/59/01/621945901.db2.gz LVOSZBIDZGVVNW-UHFFFAOYSA-N 0 0 314.367 3.180 20 10 DGCDRN Cc1nocc1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000865603323 621960255 /nfs/dbraw/zinc/96/02/55/621960255.db2.gz DZDAEDPHELRPBE-UHFFFAOYSA-N 0 0 313.401 3.149 20 10 DGCDRN Cc1conc1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000865603877 621960258 /nfs/dbraw/zinc/96/02/58/621960258.db2.gz OETORFZXECVFCE-UHFFFAOYSA-N 0 0 313.401 3.149 20 10 DGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]CC[C@H]2CCSC2)c1[O-] ZINC000865653988 621972118 /nfs/dbraw/zinc/97/21/18/621972118.db2.gz DRPVAZLDVFBMPO-VIFPVBQESA-N 0 0 316.810 3.187 20 10 DGCDRN C[C@@H](Nc1nccc(-c2ccnn2C)n1)c1ccc(N(C)C)cc1 ZINC000865685154 621977607 /nfs/dbraw/zinc/97/76/07/621977607.db2.gz UGADEECQRGUHDW-CYBMUJFWSA-N 0 0 322.416 3.116 20 10 DGCDRN CC(C)COC(=O)[C@H](C)NCc1ccc(N2CCCCC2)cc1 ZINC000789577112 625529192 /nfs/dbraw/zinc/52/91/92/625529192.db2.gz OCSOPPGRFXIIIS-INIZCTEOSA-N 0 0 318.461 3.354 20 10 DGCDRN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)[C@@H]2CCCCCN2C1=O ZINC000761582016 622019031 /nfs/dbraw/zinc/01/90/31/622019031.db2.gz YWVBMRJFYUPOQS-CJNGLKHVSA-N 0 0 315.417 3.020 20 10 DGCDRN COc1c(F)cc(F)cc1NC(=O)N(C)Cc1ccccc1O ZINC000761683267 622023998 /nfs/dbraw/zinc/02/39/98/622023998.db2.gz SDYPUBKOCLHMLJ-UHFFFAOYSA-N 0 0 322.311 3.343 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCSC1 ZINC000762013730 622045935 /nfs/dbraw/zinc/04/59/35/622045935.db2.gz LBGXZNUDQTYFQM-HNNXBMFYSA-N 0 0 306.475 3.243 20 10 DGCDRN CC1(C)OCc2c1nc(Cl)nc2N1Cc2cccc(O)c2C1 ZINC000866117838 622048654 /nfs/dbraw/zinc/04/86/54/622048654.db2.gz SCPGPXNJKHJQOL-UHFFFAOYSA-N 0 0 317.776 3.121 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)C1Cc2ccccc2C1 ZINC000762100717 622053195 /nfs/dbraw/zinc/05/31/95/622053195.db2.gz SJBHEEKITMIUIW-UHFFFAOYSA-N 0 0 321.420 3.302 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@]12C[C@@H]1CCCC2 ZINC000866203663 622065725 /nfs/dbraw/zinc/06/57/25/622065725.db2.gz PRIIGGPLSIRGBL-UGSOOPFHSA-N 0 0 300.402 3.058 20 10 DGCDRN Cc1ccc(C(=O)NCCC2CC(OC(C)(C)C)C2)c(O)c1O ZINC000762402290 622073382 /nfs/dbraw/zinc/07/33/82/622073382.db2.gz YYEDCCPNYBMCOV-UHFFFAOYSA-N 0 0 321.417 3.120 20 10 DGCDRN COc1cccc(CNC(=O)Cc2ccc(C)cc2Cl)c1O ZINC000762523134 622081683 /nfs/dbraw/zinc/08/16/83/622081683.db2.gz DDRCVNYAYJBGFE-UHFFFAOYSA-N 0 0 319.788 3.222 20 10 DGCDRN Cc1sc(Cl)nc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000762838972 622104569 /nfs/dbraw/zinc/10/45/69/622104569.db2.gz WWRYGLGUPUGTRH-UHFFFAOYSA-N 0 0 323.849 3.443 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2scnc2C2CC2)c1 ZINC000762977284 622114337 /nfs/dbraw/zinc/11/43/37/622114337.db2.gz NWGXQROOGKIKBQ-UHFFFAOYSA-N 0 0 319.386 3.056 20 10 DGCDRN C[C@H]([NH2+]CC[C@@H](O)C(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000866442104 622118781 /nfs/dbraw/zinc/11/87/81/622118781.db2.gz DRIXSWIYLRIYPJ-IMTBSYHQSA-N 0 0 314.159 3.366 20 10 DGCDRN CC[C@H]([NH2+][C@H](C)[C@@H](O)C(F)(F)F)c1cccc(Cl)c1[O-] ZINC000866463948 622122440 /nfs/dbraw/zinc/12/24/40/622122440.db2.gz REZLSYOKJFSGQM-INNHCVQGSA-N 0 0 311.731 3.398 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866528966 622132449 /nfs/dbraw/zinc/13/24/49/622132449.db2.gz LFSQUEDTKFZJOI-OLZOCXBDSA-N 0 0 320.389 3.158 20 10 DGCDRN C[C@H](NCc1nn(C)cc1C(F)F)c1ccc(N(C)C)cc1 ZINC000866563751 622139542 /nfs/dbraw/zinc/13/95/42/622139542.db2.gz QGGARJBFTSZWSQ-NSHDSACASA-N 0 0 308.376 3.275 20 10 DGCDRN C[C@@H]([NH2+]CCc1cn(C)c2ncccc12)c1cc(F)ccc1O ZINC000866574706 622141421 /nfs/dbraw/zinc/14/14/21/622141421.db2.gz ZNTRGWIKPVFZMY-GFCCVEGCSA-N 0 0 313.376 3.311 20 10 DGCDRN CO[C@@]1(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])CCOC1 ZINC000763575590 622153151 /nfs/dbraw/zinc/15/31/51/622153151.db2.gz YJFVLWSWOQXUAN-YMTOWFKASA-N 0 0 320.216 3.155 20 10 DGCDRN C[C@@H](NC(=O)C1(c2ccccn2)CC1)c1ccc(N(C)C)cc1 ZINC000867504574 622169502 /nfs/dbraw/zinc/16/95/02/622169502.db2.gz YAFARTPUVDSZDZ-CQSZACIVSA-N 0 0 309.413 3.057 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cc(O)ccc2Cl)cc1 ZINC000763955079 622170855 /nfs/dbraw/zinc/17/08/55/622170855.db2.gz VAZQIVUDUUWFAL-UHFFFAOYSA-N 0 0 304.777 3.042 20 10 DGCDRN C[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000121676336 622171395 /nfs/dbraw/zinc/17/13/95/622171395.db2.gz MHSZMYTVOAPRLA-ZDUSSCGKSA-N 0 0 300.377 3.312 20 10 DGCDRN COc1ccc(N(C)C[C@@H](O)c2ccc(F)cc2F)cc1F ZINC000121693598 622174247 /nfs/dbraw/zinc/17/42/47/622174247.db2.gz FLOZNWWRNPXVFO-OAHLLOKOSA-N 0 0 311.303 3.282 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC(=O)[C@H](C)C1 ZINC000764083587 622177986 /nfs/dbraw/zinc/17/79/86/622177986.db2.gz CZHFACQQPKKUMS-KGLIPLIRSA-N 0 0 303.402 3.136 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC(=O)[C@H](C)C1 ZINC000764083590 622178019 /nfs/dbraw/zinc/17/80/19/622178019.db2.gz CZHFACQQPKKUMS-ZIAGYGMSSA-N 0 0 303.402 3.136 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cc(Cl)ncc2Cl)cc1 ZINC000121786751 622181328 /nfs/dbraw/zinc/18/13/28/622181328.db2.gz TZFUXPMUIOSNJG-UHFFFAOYSA-N 0 0 324.211 3.384 20 10 DGCDRN COc1ccc(N(C)Cc2cccc(NC(C)=O)c2)cc1F ZINC000121786182 622181438 /nfs/dbraw/zinc/18/14/38/622181438.db2.gz SXYHPDMKLHMIPU-UHFFFAOYSA-N 0 0 302.349 3.429 20 10 DGCDRN COC(=O)/C=C/c1ccc(N2CC[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000764186564 622183586 /nfs/dbraw/zinc/18/35/86/622183586.db2.gz HQOOGWKOKNHMSN-UFZAZABTSA-N 0 0 316.357 3.017 20 10 DGCDRN CS/C=C\C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000764270973 622186733 /nfs/dbraw/zinc/18/67/33/622186733.db2.gz CNULKUMKYIQNPX-FLIBITNWSA-N 0 0 310.382 3.212 20 10 DGCDRN COc1cc(C)c(NC(=O)c2cccc(O)c2O)c(C)c1C ZINC000805295503 622229372 /nfs/dbraw/zinc/22/93/72/622229372.db2.gz HUCOFEWWPSZWQD-UHFFFAOYSA-N 0 0 301.342 3.284 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCCC[C@H]1F ZINC000868298847 622231930 /nfs/dbraw/zinc/23/19/30/622231930.db2.gz XCBNFOUWTPLJLG-SJORKVTESA-N 0 0 317.408 3.143 20 10 DGCDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCc1cc(Br)ccc1O ZINC000868307141 622232271 /nfs/dbraw/zinc/23/22/71/622232271.db2.gz PTSIHNUGICJHEI-YJRXYDGGSA-N 0 0 324.218 3.063 20 10 DGCDRN C[C@H](CCc1cccn1C)NC(=O)N[C@H](C)c1ccccc1O ZINC000868317403 622233853 /nfs/dbraw/zinc/23/38/53/622233853.db2.gz IFLRBIRXDOPKQI-ZIAGYGMSSA-N 0 0 315.417 3.112 20 10 DGCDRN CC(C)[C@H]1OCCC[C@@H]1CNC(=O)N[C@@H](C)c1ccccc1O ZINC000868343112 622236735 /nfs/dbraw/zinc/23/67/35/622236735.db2.gz MGXSZSTYAIBCRV-JJRVBVJISA-N 0 0 320.433 3.204 20 10 DGCDRN Cn1c(Sc2ncc(Cl)s2)nnc1-c1ccncc1 ZINC000764998587 622238795 /nfs/dbraw/zinc/23/87/95/622238795.db2.gz GJFMRTGDRVCQJD-UHFFFAOYSA-N 0 0 309.807 3.138 20 10 DGCDRN CCc1noc(CC)c1CNC(=O)N[C@@H](C)c1ccccc1O ZINC000868385299 622239400 /nfs/dbraw/zinc/23/94/00/622239400.db2.gz OVTMBEUUACKAKD-NSHDSACASA-N 0 0 317.389 3.065 20 10 DGCDRN C[C@@H](NC(=O)NCCc1ccc(Cl)nc1)c1ccccc1O ZINC000868400560 622240220 /nfs/dbraw/zinc/24/02/20/622240220.db2.gz KKJWPRAZQMFKDP-LLVKDONJSA-N 0 0 319.792 3.044 20 10 DGCDRN C[C@@H](NC(=O)NCCSCC(F)(F)F)c1ccccc1O ZINC000868467831 622246435 /nfs/dbraw/zinc/24/64/35/622246435.db2.gz PZWJIUXTSMKCMY-SECBINFHSA-N 0 0 322.352 3.048 20 10 DGCDRN CC(C)C[C@@H]1C[C@H](NC(=O)N[C@H](C)c2ccccc2O)CCO1 ZINC000868479848 622247824 /nfs/dbraw/zinc/24/78/24/622247824.db2.gz LKCUIUHFTXQGDW-RBSFLKMASA-N 0 0 320.433 3.346 20 10 DGCDRN CC(C)C[C@H]1C[C@@H](NC(=O)N[C@@H](C)c2ccccc2O)CCO1 ZINC000868479846 622248025 /nfs/dbraw/zinc/24/80/25/622248025.db2.gz LKCUIUHFTXQGDW-KKUMJFAQSA-N 0 0 320.433 3.346 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1CC(C)(C)OC1(C)C)c1ccccc1O ZINC000868483623 622248389 /nfs/dbraw/zinc/24/83/89/622248389.db2.gz ZIJIXZMTYLGBCH-SMDDNHRTSA-N 0 0 306.406 3.099 20 10 DGCDRN Cc1cnc([C@H](C)CNC(=O)N[C@H](C)c2ccccc2O)s1 ZINC000868498788 622250321 /nfs/dbraw/zinc/25/03/21/622250321.db2.gz AEYVAGZEYIRIML-ZYHUDNBSSA-N 0 0 319.430 3.321 20 10 DGCDRN CC(C)C[C@H]1OCCC[C@H]1NC(=O)N[C@@H](C)c1ccccc1O ZINC000868516452 622253226 /nfs/dbraw/zinc/25/32/26/622253226.db2.gz IIOXAAYWRDRPBI-YSVLISHTSA-N 0 0 320.433 3.346 20 10 DGCDRN CCN1C(=O)/C(=C/c2ncccc2C(F)(F)F)SC1=S ZINC000765499373 622268491 /nfs/dbraw/zinc/26/84/91/622268491.db2.gz INWNGBHQYPRHEL-TWGQIWQCSA-N 0 0 318.345 3.322 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccccc1F)c1ccccc1O ZINC000868696145 622274165 /nfs/dbraw/zinc/27/41/65/622274165.db2.gz LGWNYUOIALYTHR-DIOULYMOSA-N 0 0 314.360 3.448 20 10 DGCDRN C[C@@H](CNC(=O)N[C@H](C)c1ccccc1O)CC(F)(F)F ZINC000868706598 622275742 /nfs/dbraw/zinc/27/57/42/622275742.db2.gz YQUHIMYWYHLLOQ-NXEZZACHSA-N 0 0 304.312 3.341 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1C[C@@]1(F)c1ccccc1)c1ccccc1O ZINC000868725797 622277883 /nfs/dbraw/zinc/27/78/83/622277883.db2.gz PHNSGVLNJHYQML-BJOOFOGMSA-N 0 0 314.360 3.390 20 10 DGCDRN Cc1cccc2ncc(CN3CCOc4cc(N(C)C)ccc43)n21 ZINC000765655097 622279823 /nfs/dbraw/zinc/27/98/23/622279823.db2.gz KIZSECDIRZCFAA-UHFFFAOYSA-N 0 0 322.412 3.108 20 10 DGCDRN COc1c(C)cccc1CNC(=O)N[C@@H](C)c1ccccc1O ZINC000868751950 622281015 /nfs/dbraw/zinc/28/10/15/622281015.db2.gz RMVQSQSRNRTLGG-ZDUSSCGKSA-N 0 0 314.385 3.270 20 10 DGCDRN CC[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)[C@@H]1CCCCO1 ZINC000868754252 622281650 /nfs/dbraw/zinc/28/16/50/622281650.db2.gz HLIQCOPCJIGJTJ-BJJXKVORSA-N 0 0 306.406 3.100 20 10 DGCDRN C[C@@H]1CC[C@@H](C(=O)NCc2cccc(Br)c2O)C1 ZINC000765770962 622286531 /nfs/dbraw/zinc/28/65/31/622286531.db2.gz UGFRFIIDNWRBIY-NXEZZACHSA-N 0 0 312.207 3.207 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](CCO)C(C)C)cc1 ZINC000765850422 622291461 /nfs/dbraw/zinc/29/14/61/622291461.db2.gz VGFWZDVLBICOOQ-SFHVURJKSA-N 0 0 314.429 3.231 20 10 DGCDRN COc1ccc(O)c(CNC(=O)/C=C/c2ccc3[nH]ccc3c2)c1 ZINC000765863696 622291615 /nfs/dbraw/zinc/29/16/15/622291615.db2.gz JKUPUNPGJLGVOY-XVNBXDOJSA-N 0 0 322.364 3.212 20 10 DGCDRN COc1ccc(N(C)Cc2cccc3nsnc32)cc1OC ZINC000766023258 622300681 /nfs/dbraw/zinc/30/06/81/622300681.db2.gz LZBMAXSHZDAASV-UHFFFAOYSA-N 0 0 315.398 3.345 20 10 DGCDRN Cc1ncc([C@@H](C)NC(=O)N[C@@H](C)c2ccccc2O)s1 ZINC000868934946 622301398 /nfs/dbraw/zinc/30/13/98/622301398.db2.gz YOUYOLZXWRANNF-VHSXEESVSA-N 0 0 305.403 3.279 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H](C1CCC1)[C@@H]1CCCO1)c1ccccc1O ZINC000868988698 622306571 /nfs/dbraw/zinc/30/65/71/622306571.db2.gz AZIIZEGSKZSRHV-DQYPLSBCSA-N 0 0 318.417 3.100 20 10 DGCDRN COc1ccc2c(c1)CCCCN2CCOC[C@H]1CCCO1 ZINC000766270833 622316083 /nfs/dbraw/zinc/31/60/83/622316083.db2.gz UYRJNATUVXBERR-QGZVFWFLSA-N 0 0 305.418 3.034 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCC(C)(C)C(C)(F)F)c1 ZINC000869071867 622316474 /nfs/dbraw/zinc/31/64/74/622316474.db2.gz OLNUPERRWVROBY-UHFFFAOYSA-N 0 0 300.349 3.181 20 10 DGCDRN COc1ccc2c(c1)CCCN2CN1C(=O)C(C)(C)C1(C)C ZINC000766340299 622323097 /nfs/dbraw/zinc/32/30/97/622323097.db2.gz GFBWUXOJPWNVGS-UHFFFAOYSA-N 0 0 302.418 3.052 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCCc2cccnc21 ZINC000766684556 622346703 /nfs/dbraw/zinc/34/67/03/622346703.db2.gz MWKBFDUBWXNXEM-GOSISDBHSA-N 0 0 323.440 3.192 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](C)[C@@H](C)C1 ZINC000766800483 622353346 /nfs/dbraw/zinc/35/33/46/622353346.db2.gz MWLVYQXKTLVQTG-HIFRSBDPSA-N 0 0 303.450 3.249 20 10 DGCDRN C[C@@H](NC(=O)c1coc(C2CCC2)n1)c1ccc(N(C)C)cc1 ZINC000766910000 622360908 /nfs/dbraw/zinc/36/09/08/622360908.db2.gz MRICGYSFHXVVOJ-GFCCVEGCSA-N 0 0 313.401 3.499 20 10 DGCDRN CCc1cccnc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000767085608 622374554 /nfs/dbraw/zinc/37/45/54/622374554.db2.gz BKZJJDDPWPMQOH-UHFFFAOYSA-N 0 0 310.397 3.158 20 10 DGCDRN CC(C)Cc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000122809952 622412196 /nfs/dbraw/zinc/41/21/96/622412196.db2.gz RQTCJAXBSNJDTC-UHFFFAOYSA-N 0 0 313.397 3.269 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000767814197 622423544 /nfs/dbraw/zinc/42/35/44/622423544.db2.gz GXACNWNCZJEJQV-UHFFFAOYSA-N 0 0 306.768 3.475 20 10 DGCDRN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)c1cscn1 ZINC000768099070 622438469 /nfs/dbraw/zinc/43/84/69/622438469.db2.gz WBHJMZQVYZHAHM-ZIAGYGMSSA-N 0 0 317.458 3.392 20 10 DGCDRN C[C@@H](N[C@@H](C)c1cscn1)c1ccc(N2CCOCC2)cc1 ZINC000768099058 622438478 /nfs/dbraw/zinc/43/84/78/622438478.db2.gz WBHJMZQVYZHAHM-KGLIPLIRSA-N 0 0 317.458 3.392 20 10 DGCDRN Cc1ncnc(NCc2ccc(N3CCSCC3)cc2)c1C ZINC000881819660 625569605 /nfs/dbraw/zinc/56/96/05/625569605.db2.gz DDPZQLOHDWGHNH-UHFFFAOYSA-N 0 0 314.458 3.259 20 10 DGCDRN CCCN(CC(=O)OCC)Cc1cc2c(cc1O)CCCC2 ZINC000768442725 622456189 /nfs/dbraw/zinc/45/61/89/622456189.db2.gz NFKYOFZDDUIHHS-UHFFFAOYSA-N 0 0 305.418 3.046 20 10 DGCDRN COc1cc(CN2CCC[C@H]2c2cc(C)on2)c(O)cc1C ZINC000768441369 622456450 /nfs/dbraw/zinc/45/64/50/622456450.db2.gz KFLXVAGMHVFHRO-HNNXBMFYSA-N 0 0 302.374 3.343 20 10 DGCDRN COc1cc(CN2CCOC[C@H]2c2ccccc2)c(O)cc1C ZINC000768466512 622458767 /nfs/dbraw/zinc/45/87/67/622458767.db2.gz QYZDHGSBEKJSTK-KRWDZBQOSA-N 0 0 313.397 3.283 20 10 DGCDRN COC(=O)CN(Cc1cc(-c2ccccc2)ccc1O)C(C)C ZINC000768687314 622471166 /nfs/dbraw/zinc/47/11/66/622471166.db2.gz MFKUSVUVLSIUQI-UHFFFAOYSA-N 0 0 313.397 3.443 20 10 DGCDRN CCOc1ccc(CN2CCCC[C@H]2c2noc(C)n2)c(O)c1 ZINC000768962782 622488181 /nfs/dbraw/zinc/48/81/81/622488181.db2.gz JOKKXNNNUAVCPU-HNNXBMFYSA-N 0 0 317.389 3.210 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)CCC1CC1 ZINC000768970089 622488989 /nfs/dbraw/zinc/48/89/89/622488989.db2.gz SMNKIKUCHGFWAJ-AWEZNQCLSA-N 0 0 303.450 3.439 20 10 DGCDRN CN1CCCc2cc(CNC(=O)[C@@H](F)c3ccccc3)ccc21 ZINC000768990745 622490523 /nfs/dbraw/zinc/49/05/23/622490523.db2.gz ZYWIWOQQYJOFLF-SFHVURJKSA-N 0 0 312.388 3.396 20 10 DGCDRN C[C@H]1C[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000768996932 622491107 /nfs/dbraw/zinc/49/11/07/622491107.db2.gz RVFYVBUIMCTLQI-HUBLWGQQSA-N 0 0 324.371 3.029 20 10 DGCDRN CCN(CC)c1ccc(CN(C)Cc2nnc3ccccn32)cc1 ZINC000769204892 622507758 /nfs/dbraw/zinc/50/77/58/622507758.db2.gz VVRHXIGRMTYCKT-UHFFFAOYSA-N 0 0 323.444 3.208 20 10 DGCDRN COc1cccc(O)c1CN(Cc1cc[nH]n1)Cc1ccccc1 ZINC000769328494 622518379 /nfs/dbraw/zinc/51/83/79/622518379.db2.gz PUZOKULRNAQLPG-UHFFFAOYSA-N 0 0 323.396 3.326 20 10 DGCDRN Cc1c(C(=O)NCc2ccccc2O)cnn1-c1ccccc1C ZINC000769366182 622521234 /nfs/dbraw/zinc/52/12/34/622521234.db2.gz VBWAXQKSYPGANW-UHFFFAOYSA-N 0 0 321.380 3.125 20 10 DGCDRN C[C@H]1CN(Cc2cc(Cl)ccc2O)C[C@H](C(F)(F)F)O1 ZINC000769498220 622533953 /nfs/dbraw/zinc/53/39/53/622533953.db2.gz SCWKDSQNQIFSAW-QPUJVOFHSA-N 0 0 309.715 3.197 20 10 DGCDRN C[N@H+](CCOC(C)(C)C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769517308 622537057 /nfs/dbraw/zinc/53/70/57/622537057.db2.gz TWCHFCGRYVQONF-UHFFFAOYSA-N 0 0 316.785 3.201 20 10 DGCDRN COc1ccc2c(c1)CCCCN2CCO[C@@H]1CCCCO1 ZINC000769767368 622558583 /nfs/dbraw/zinc/55/85/83/622558583.db2.gz UNZGIGJWEIPNFO-GOSISDBHSA-N 0 0 305.418 3.381 20 10 DGCDRN C[C@H](Nc1cc(C2CC2)ncn1)c1ccc(N2CCOCC2)cc1 ZINC000881848423 625576964 /nfs/dbraw/zinc/57/69/64/625576964.db2.gz WTKHDUPRTDVFIO-AWEZNQCLSA-N 0 0 324.428 3.364 20 10 DGCDRN CCc1ccc(C(=O)CCC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871198198 622565770 /nfs/dbraw/zinc/56/57/70/622565770.db2.gz HFMNHNPKUSGRRQ-UHFFFAOYSA-N 0 0 323.392 3.460 20 10 DGCDRN CC(C)Oc1cccc(CC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871201168 622566320 /nfs/dbraw/zinc/56/63/20/622566320.db2.gz RAYJWWVRACKQMK-UHFFFAOYSA-N 0 0 311.381 3.264 20 10 DGCDRN C[C@H](OC1CCCCCC1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871203511 622567417 /nfs/dbraw/zinc/56/74/17/622567417.db2.gz MSNKFKLQGJQAGE-ZDUSSCGKSA-N 0 0 303.402 3.362 20 10 DGCDRN CC(C)(C)c1cnc(SC[C@@H]2CCCS(=O)(=O)C2)s1 ZINC000789929041 625581337 /nfs/dbraw/zinc/58/13/37/625581337.db2.gz ISWZCAVKOQASPU-JTQLQIEISA-N 0 0 319.517 3.358 20 10 DGCDRN Cc1ccc(N(C)C(=O)/C=C/c2cncc(O)c2)cc1Cl ZINC000770490722 622639065 /nfs/dbraw/zinc/63/90/65/622639065.db2.gz MFQYHGVVYYYCFF-GQCTYLIASA-N 0 0 302.761 3.425 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C\c1ccc2nccnc2c1 ZINC000871600891 622645835 /nfs/dbraw/zinc/64/58/35/622645835.db2.gz YPIVZWJJRYQVOZ-PTNGSMBKSA-N 0 0 324.409 3.086 20 10 DGCDRN COc1cc(Cl)cc(CNc2cnn(C)c2C2CC2)c1O ZINC000770666357 622658877 /nfs/dbraw/zinc/65/88/77/622658877.db2.gz VGJMUYKLZXOIJW-UHFFFAOYSA-N 0 0 307.781 3.277 20 10 DGCDRN Cc1cccc(C(C)(C)CNC(=O)c2c(F)ccc(O)c2O)c1 ZINC000789963478 625588497 /nfs/dbraw/zinc/58/84/97/625588497.db2.gz JLWBWDDBVYSRLV-UHFFFAOYSA-N 0 0 317.360 3.253 20 10 DGCDRN COc1ccc(NC(=O)NCc2ccccc2O)c2ncccc12 ZINC000771276044 622736542 /nfs/dbraw/zinc/73/65/42/622736542.db2.gz FSDDQVNPKUFGJZ-UHFFFAOYSA-N 0 0 323.352 3.271 20 10 DGCDRN CN(CC1CC1)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000888591646 622748926 /nfs/dbraw/zinc/74/89/26/622748926.db2.gz BCNTXWYAHGGLPF-UHFFFAOYSA-N 0 0 321.384 3.270 20 10 DGCDRN C[C@@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1ccc(F)cc1[O-] ZINC000872110573 622812519 /nfs/dbraw/zinc/81/25/19/622812519.db2.gz ZMUCNABYWFTIQT-SECBINFHSA-N 0 0 317.286 3.097 20 10 DGCDRN CC(C)OC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000872114848 622815757 /nfs/dbraw/zinc/81/57/57/622815757.db2.gz CTZMACVLNWZAKM-LBPRGKRZSA-N 0 0 308.378 3.299 20 10 DGCDRN Cc1nonc1CN[C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000872135001 622827349 /nfs/dbraw/zinc/82/73/49/622827349.db2.gz BQZRFZKVQWMRAW-ZCFIWIBFSA-N 0 0 302.161 3.241 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)C3(F)CCCC3)CC2)cc1 ZINC000772015840 622834082 /nfs/dbraw/zinc/83/40/82/622834082.db2.gz KLGQLIJKEFTJLQ-UHFFFAOYSA-N 0 0 320.408 3.063 20 10 DGCDRN CCC1(CC)NC(=O)N(c2cc(Cl)c(N)c(Cl)c2)C1=O ZINC000772120606 622849749 /nfs/dbraw/zinc/84/97/49/622849749.db2.gz GYKDICXPQRAMEY-UHFFFAOYSA-N 0 0 316.188 3.191 20 10 DGCDRN Cc1cncc(/C=C\C(=O)N2CCOc3ccc(Cl)cc32)c1 ZINC000772152439 622857103 /nfs/dbraw/zinc/85/71/03/622857103.db2.gz QXDFRSRBSDAWRP-DJWKRKHSSA-N 0 0 314.772 3.482 20 10 DGCDRN CCCCOc1ccccc1NC[C@H](O)C[C@@](C)(O)C1CC1 ZINC000872210490 622857905 /nfs/dbraw/zinc/85/79/05/622857905.db2.gz BMWRFVTWXGFUIW-CRAIPNDOSA-N 0 0 307.434 3.189 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CCCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000772210529 622867315 /nfs/dbraw/zinc/86/73/15/622867315.db2.gz CEXKHQAVAIKHMP-JWJUJFCLSA-N 0 0 318.373 3.407 20 10 DGCDRN CC[C@@H]1[C@H](C)CCN1c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000772258981 622874793 /nfs/dbraw/zinc/87/47/93/622874793.db2.gz WEVLMXIXGDZQPI-QJUZWUIZSA-N 0 0 318.373 3.406 20 10 DGCDRN CCN(CC)c1ccc(CNc2cc(Cl)n[nH]c2=O)cc1F ZINC000872450678 622917666 /nfs/dbraw/zinc/91/76/66/622917666.db2.gz YXJGZDWKCMGQDY-UHFFFAOYSA-N 0 0 324.787 3.433 20 10 DGCDRN COc1ccc(COC(=O)/C=C/c2ccc(O)c(O)c2)cc1F ZINC000772764376 622936511 /nfs/dbraw/zinc/93/65/11/622936511.db2.gz FUXMKMBNFCICLU-QPJJXVBHSA-N 0 0 318.300 3.002 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCC(C)(C)C(C)=O ZINC000772783355 622938855 /nfs/dbraw/zinc/93/88/55/622938855.db2.gz BLMZZRAHZJJGND-UHFFFAOYSA-N 0 0 318.461 3.497 20 10 DGCDRN COc1ccc(N2CC[C@@H](Nc3ccnc4ncccc34)C2)cc1 ZINC000872594212 622940227 /nfs/dbraw/zinc/94/02/27/622940227.db2.gz NQAHJRWVFACQPE-CQSZACIVSA-N 0 0 320.396 3.329 20 10 DGCDRN C[C@H](NC(=O)c1ccc2nccnc2c1)c1ccc(N(C)C)cc1 ZINC000773000346 622963812 /nfs/dbraw/zinc/96/38/12/622963812.db2.gz OQJYMCNKYNXFRH-ZDUSSCGKSA-N 0 0 320.396 3.187 20 10 DGCDRN C[C@H](NC(=O)COc1ccccc1F)c1ccc(N(C)C)cc1 ZINC000773001573 622963863 /nfs/dbraw/zinc/96/38/63/622963863.db2.gz VAPIHZPPJNNWEF-ZDUSSCGKSA-N 0 0 316.376 3.148 20 10 DGCDRN Cc1nc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C)s1 ZINC000773008099 622964985 /nfs/dbraw/zinc/96/49/85/622964985.db2.gz CEHKRVNUBQQKMF-SNVBAGLBSA-N 0 0 303.431 3.317 20 10 DGCDRN Cc1cc(C)n([C@@H](C)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000773009096 622965087 /nfs/dbraw/zinc/96/50/87/622965087.db2.gz PDBHXQWPIPKNBW-CABCVRRESA-N 0 0 314.433 3.004 20 10 DGCDRN C[C@H](NC(=O)c1cccc2nccnc21)c1ccc(N(C)C)cc1 ZINC000773017263 622968237 /nfs/dbraw/zinc/96/82/37/622968237.db2.gz VCGYLTHRVSUKQE-ZDUSSCGKSA-N 0 0 320.396 3.187 20 10 DGCDRN C[C@@H](NC(=O)Cc1ccc2c(c1)CCO2)c1ccc(N(C)C)cc1 ZINC000773018692 622969249 /nfs/dbraw/zinc/96/92/49/622969249.db2.gz ZOHSWGJDMDPXQM-CQSZACIVSA-N 0 0 324.424 3.107 20 10 DGCDRN FC(F)Oc1ccc(CNC(=S)Nc2ccccc2)nc1 ZINC000773194238 622997722 /nfs/dbraw/zinc/99/77/22/622997722.db2.gz CDERXVPAQACKEJ-UHFFFAOYSA-N 0 0 309.341 3.170 20 10 DGCDRN O=[N+]([O-])c1ncccc1N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773254617 623005070 /nfs/dbraw/zinc/00/50/70/623005070.db2.gz LLDIWTSDCRZFME-UHFFFAOYSA-N 0 0 316.748 3.332 20 10 DGCDRN CSCCCCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773305120 623010369 /nfs/dbraw/zinc/01/03/69/623010369.db2.gz HNGVWCVDZAMJFU-ZDUSSCGKSA-N 0 0 309.479 3.256 20 10 DGCDRN CO[C@@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(C)(C)C ZINC000773348673 623015771 /nfs/dbraw/zinc/01/57/71/623015771.db2.gz XTTDWAGQIYCROX-CJNGLKHVSA-N 0 0 321.465 3.174 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773428299 623025965 /nfs/dbraw/zinc/02/59/65/623025965.db2.gz LMAQTHDGZMZYLX-HLPPOEQASA-N 0 0 319.449 3.069 20 10 DGCDRN C[C@@H](NC(=O)NCC1CCSCC1)c1ccc(N(C)C)cc1 ZINC000773611713 623050595 /nfs/dbraw/zinc/05/05/95/623050595.db2.gz JONNBSFSDHHOEU-CYBMUJFWSA-N 0 0 321.490 3.256 20 10 DGCDRN C[C@H](NC(=O)NC[C@H]1Cc2ccccc21)c1ccc(N(C)C)cc1 ZINC000773614265 623050705 /nfs/dbraw/zinc/05/07/05/623050705.db2.gz SUQRUIGSCUVFQD-WMLDXEAASA-N 0 0 323.440 3.453 20 10 DGCDRN CSC[C@H]1CCCN1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773613340 623051094 /nfs/dbraw/zinc/05/10/94/623051094.db2.gz QBEVTCMUDPOANC-XJKSGUPXSA-N 0 0 321.490 3.351 20 10 DGCDRN C[C@H](NC(=O)N1CCS[C@H](C)[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000773614957 623051534 /nfs/dbraw/zinc/05/15/34/623051534.db2.gz VHKKQDSWSOYRPP-MELADBBJSA-N 0 0 321.490 3.349 20 10 DGCDRN C[C@H](NC(=O)N1CCS[C@H](C)[C@H]1C)c1ccc(N(C)C)cc1 ZINC000773614955 623051877 /nfs/dbraw/zinc/05/18/77/623051877.db2.gz VHKKQDSWSOYRPP-BFHYXJOUSA-N 0 0 321.490 3.349 20 10 DGCDRN CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000773623368 623052693 /nfs/dbraw/zinc/05/26/93/623052693.db2.gz HUTYISRCBOIGKP-GRDNDAEWSA-N 0 0 319.449 3.023 20 10 DGCDRN CSCCCCCNC(=O)NCc1ccc(N(C)C)cc1C ZINC000773646727 623055369 /nfs/dbraw/zinc/05/53/69/623055369.db2.gz YISFKYFLUDJRFQ-UHFFFAOYSA-N 0 0 323.506 3.394 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(C(F)F)cc1 ZINC000773739521 623065185 /nfs/dbraw/zinc/06/51/85/623065185.db2.gz BDNJGXCEVHEFCY-JTQLQIEISA-N 0 0 321.323 3.396 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc2cnccc21 ZINC000773751694 623067005 /nfs/dbraw/zinc/06/70/05/623067005.db2.gz UGYWLWZMPDDXBT-GFCCVEGCSA-N 0 0 322.364 3.007 20 10 DGCDRN Cc1nccnc1[C@@H](C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000873187710 623067947 /nfs/dbraw/zinc/06/79/47/623067947.db2.gz ARRXPACKXLBVBK-SNVBAGLBSA-N 0 0 322.206 3.104 20 10 DGCDRN CCN(C)c1ccc(CN2CCO[C@@H](c3ccco3)C2)cc1 ZINC000773765803 623070912 /nfs/dbraw/zinc/07/09/12/623070912.db2.gz NNNAZBRTMNHRIS-GOSISDBHSA-N 0 0 300.402 3.309 20 10 DGCDRN C[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)c1ccccn1 ZINC000773785985 623073482 /nfs/dbraw/zinc/07/34/82/623073482.db2.gz GALKNSRUQURVOZ-HNNXBMFYSA-N 0 0 309.413 3.102 20 10 DGCDRN CCN(C)c1ccc(CN[C@@H](CO)c2c(F)cccc2F)cc1 ZINC000773829333 623076243 /nfs/dbraw/zinc/07/62/43/623076243.db2.gz BFPDISWPJZSDTH-KRWDZBQOSA-N 0 0 320.383 3.244 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)c1ccccn1 ZINC000773886970 623085181 /nfs/dbraw/zinc/08/51/81/623085181.db2.gz XJXJYVFCPDSEJS-HNNXBMFYSA-N 0 0 311.429 3.300 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1Cc2ccccc2CN1)c1cc(F)cc(F)c1[O-] ZINC000873294270 623106611 /nfs/dbraw/zinc/10/66/11/623106611.db2.gz RKNXCPCNVQIDGD-NHYWBVRUSA-N 0 0 318.367 3.036 20 10 DGCDRN Nc1ccc(CNC(=O)Cc2csc(C3CCCC3)n2)cc1 ZINC000873297825 623107797 /nfs/dbraw/zinc/10/77/97/623107797.db2.gz BLYHMEQZCJPXDM-UHFFFAOYSA-N 0 0 315.442 3.242 20 10 DGCDRN C[C@@H]([NH2+]CCCn1cncn1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774300262 623128547 /nfs/dbraw/zinc/12/85/47/623128547.db2.gz ZHOYWOFQJMPYPR-SECBINFHSA-N 0 0 315.204 3.031 20 10 DGCDRN COc1ccc(NCc2c(O)ccc(Cl)c2F)c(OC)n1 ZINC000790245198 625622578 /nfs/dbraw/zinc/62/25/78/625622578.db2.gz HRVGLYLDJRWBDJ-UHFFFAOYSA-N 0 0 312.728 3.209 20 10 DGCDRN COc1ccc(F)c(NCc2ccc([N+](=O)[O-])c(OC)c2O)c1 ZINC000774928632 623208731 /nfs/dbraw/zinc/20/87/31/623208731.db2.gz ABZOERKEHBRKHX-UHFFFAOYSA-N 0 0 322.292 3.069 20 10 DGCDRN COc1c([O-])c(C[NH2+]C[C@H]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774982973 623213610 /nfs/dbraw/zinc/21/36/10/623213610.db2.gz HHJHRSUXMNYVDV-NWDGAFQWSA-N 0 0 308.378 3.225 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)C2(Nc3ccccc3)CC2)cc1 ZINC000873860190 623216737 /nfs/dbraw/zinc/21/67/37/623216737.db2.gz DHQLFWRQJQMMSC-UHFFFAOYSA-N 0 0 323.440 3.356 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@H](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000775022886 623217326 /nfs/dbraw/zinc/21/73/26/623217326.db2.gz HMOFQOFRJGGCPY-LLVKDONJSA-N 0 0 308.378 3.367 20 10 DGCDRN CCOc1ccc(O)c(CNc2cc(C)cc(OCCO)c2)c1 ZINC000775032662 623219051 /nfs/dbraw/zinc/21/90/51/623219051.db2.gz JLGHDMOJAQNDPC-UHFFFAOYSA-N 0 0 317.385 3.083 20 10 DGCDRN CCOc1ccc(N(C)CCCNC(=O)OC(C)(C)C)cc1 ZINC000775056886 623222778 /nfs/dbraw/zinc/22/27/78/623222778.db2.gz NZKFHFHRRIOWKG-UHFFFAOYSA-N 0 0 308.422 3.436 20 10 DGCDRN FC(F)(F)Oc1ccc2c(c1)CCCN2CCC1OCCO1 ZINC000124783402 623230453 /nfs/dbraw/zinc/23/04/53/623230453.db2.gz ZORLHZRNQJYYHG-UHFFFAOYSA-N 0 0 317.307 3.101 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@@H]2CCC[C@@H](C)CC2)ccc1[N+](=O)[O-] ZINC000775106816 623232445 /nfs/dbraw/zinc/23/24/45/623232445.db2.gz KHWKKYZRDXMAEG-DGCLKSJQSA-N 0 0 308.378 3.367 20 10 DGCDRN CC(C)C[C@@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874260466 623254253 /nfs/dbraw/zinc/25/42/53/623254253.db2.gz XYRFDCILZJZHHU-AWEZNQCLSA-N 0 0 302.378 3.500 20 10 DGCDRN COc1cc(Cl)ccc1NCc1cc2c(cc1O)OCO2 ZINC000775344497 623257351 /nfs/dbraw/zinc/25/73/51/623257351.db2.gz IPIMDFDNRFSLIK-UHFFFAOYSA-N 0 0 307.733 3.395 20 10 DGCDRN C[C@@H](NC(=O)CC1(O)CCCCC1)c1ccc(N(C)C)cc1 ZINC000775402785 623269561 /nfs/dbraw/zinc/26/95/61/623269561.db2.gz CMNOCRIRQFKVHM-CQSZACIVSA-N 0 0 304.434 3.015 20 10 DGCDRN Cc1ccncc1/C=C\C(=O)N1C[C@@H](C)Oc2c(F)cccc21 ZINC000775414860 623272674 /nfs/dbraw/zinc/27/26/74/623272674.db2.gz MJOWPTMNMIOFFE-FMFIFOJESA-N 0 0 312.344 3.356 20 10 DGCDRN C[C@@H]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 ZINC000874472050 623275863 /nfs/dbraw/zinc/27/58/63/623275863.db2.gz UVMDUJQQLPFXRG-JTNHKYCSSA-N 0 0 302.378 3.404 20 10 DGCDRN Cc1cc2c(N(Cc3ccc(N(C)C)cc3)C3CC3)nccn2n1 ZINC000775447693 623275966 /nfs/dbraw/zinc/27/59/66/623275966.db2.gz BGCVXALMBCOAHD-UHFFFAOYSA-N 0 0 321.428 3.273 20 10 DGCDRN COC[C@H]1C[C@@H](NC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000882104967 625635835 /nfs/dbraw/zinc/63/58/35/625635835.db2.gz OEJZVEGYKQWNRH-WOVMCDHWSA-N 0 0 312.413 3.249 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cn(C)nn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775552024 623288600 /nfs/dbraw/zinc/28/86/00/623288600.db2.gz RQJKRQPDYGRUPG-LLVKDONJSA-N 0 0 315.204 3.068 20 10 DGCDRN COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])C1 ZINC000775582695 623293520 /nfs/dbraw/zinc/29/35/20/623293520.db2.gz XPBLAHUDKHBNBZ-XQQFMLRXSA-N 0 0 324.396 3.049 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000775665662 623308936 /nfs/dbraw/zinc/30/89/36/623308936.db2.gz HXIWUBMQWJICFZ-UHFFFAOYSA-N 0 0 309.772 3.287 20 10 DGCDRN CC(C)[NH2+]C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775670069 623310210 /nfs/dbraw/zinc/31/02/10/623310210.db2.gz HMDYEIMWXDNYSY-UHFFFAOYSA-N 0 0 300.805 3.147 20 10 DGCDRN CCc1onc(C)c1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775688908 623314466 /nfs/dbraw/zinc/31/44/66/623314466.db2.gz SFLULNJQVJLXBJ-NSHDSACASA-N 0 0 316.405 3.494 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000775697486 623316100 /nfs/dbraw/zinc/31/61/00/623316100.db2.gz FAEYHYNAJLGZJY-UHFFFAOYSA-N 0 0 309.772 3.287 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000775740315 623322419 /nfs/dbraw/zinc/32/24/19/623322419.db2.gz UOZUCRCNKUMEIE-NWDGAFQWSA-N 0 0 313.800 3.433 20 10 DGCDRN COc1ncc(/C=C\C(=O)N2CCCc3c(C)cc(C)cc32)cn1 ZINC000775826581 623337505 /nfs/dbraw/zinc/33/75/05/623337505.db2.gz DPEBSMYWTSCJBT-SREVYHEPSA-N 0 0 323.396 3.095 20 10 DGCDRN COc1ncc(/C=C\C(=O)N2CCC[C@@H](C)c3ccccc32)cn1 ZINC000775898442 623347761 /nfs/dbraw/zinc/34/77/61/623347761.db2.gz WRKCHLNNWXYAFL-CFYYFVFUSA-N 0 0 323.396 3.429 20 10 DGCDRN COc1ccc(CN[C@H](c2nc[nH]n2)c2ccccc2)cc1C ZINC000775971311 623358875 /nfs/dbraw/zinc/35/88/75/623358875.db2.gz NJLLZOHNSVEEHD-KRWDZBQOSA-N 0 0 308.385 3.001 20 10 DGCDRN COCCOc1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000775983295 623360373 /nfs/dbraw/zinc/36/03/73/623360373.db2.gz COMQOJDVBKAADD-UHFFFAOYSA-N 0 0 321.804 3.361 20 10 DGCDRN C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)c2cccc(F)c2O1 ZINC000776008643 623363447 /nfs/dbraw/zinc/36/34/47/623363447.db2.gz UKALTKVBNFXAMM-SNVBAGLBSA-N 0 0 317.316 3.048 20 10 DGCDRN COc1ccc(O)c(CN2C[C@@H](C)Oc3c(F)cccc32)c1 ZINC000776009920 623363619 /nfs/dbraw/zinc/36/36/19/623363619.db2.gz YZLCAKSBSBTQOY-LLVKDONJSA-N 0 0 303.333 3.327 20 10 DGCDRN CC(C)CC[C@](C)(O)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776209559 623397078 /nfs/dbraw/zinc/39/70/78/623397078.db2.gz ZQIVNCOIFFIZRE-HNNXBMFYSA-N 0 0 303.805 3.462 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])C1CCOCC1 ZINC000776231907 623400385 /nfs/dbraw/zinc/40/03/85/623400385.db2.gz KPAQICLTCKFCBY-CQSZACIVSA-N 0 0 301.789 3.480 20 10 DGCDRN O=C1[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CCN1C1CCCCC1 ZINC000776253896 623401632 /nfs/dbraw/zinc/40/16/32/623401632.db2.gz WQAJNRTYKKHOFN-HNNXBMFYSA-N 0 0 322.836 3.069 20 10 DGCDRN CC(C)[C@@H](NCc1ccc2c(c1)CCO2)C(=O)OC(C)(C)C ZINC000776257393 623402476 /nfs/dbraw/zinc/40/24/76/623402476.db2.gz MNIUBEMDRPCSJY-MRXNPFEDSA-N 0 0 305.418 3.077 20 10 DGCDRN O=C(NCCCCc1ccccc1)N1Cc2cccc(O)c2C1 ZINC000875033595 623409923 /nfs/dbraw/zinc/40/99/23/623409923.db2.gz HAJCOBFXOJKNEI-UHFFFAOYSA-N 0 0 310.397 3.440 20 10 DGCDRN CCC(=O)Nc1ccc(C)c(NC(=O)c2cccc(O)c2O)c1 ZINC000776336678 623413466 /nfs/dbraw/zinc/41/34/66/623413466.db2.gz NAXVONNAYWENNB-UHFFFAOYSA-N 0 0 314.341 3.007 20 10 DGCDRN C[C@H]1CC[C@H](C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000776339901 623414036 /nfs/dbraw/zinc/41/40/36/623414036.db2.gz RDCSYQVMZYITJE-HOCLYGCPSA-N 0 0 318.486 3.292 20 10 DGCDRN O=C(N[C@H]1CCc2c1cccc2F)N1Cc2cccc(O)c2C1 ZINC000875146735 623421345 /nfs/dbraw/zinc/42/13/45/623421345.db2.gz ZWNZFCHLZLCTOS-INIZCTEOSA-N 0 0 312.344 3.244 20 10 DGCDRN O=C(NCC1(Cc2ccccc2)CC1)N1Cc2cccc(O)c2C1 ZINC000875404424 623447272 /nfs/dbraw/zinc/44/72/72/623447272.db2.gz ZPIQJPBORRGJIS-UHFFFAOYSA-N 0 0 322.408 3.440 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H](c2cccnc2)C2CC2)c1 ZINC000875432021 623450243 /nfs/dbraw/zinc/45/02/43/623450243.db2.gz QOQSOWVAFHTBMH-QGZVFWFLSA-N 0 0 311.385 3.046 20 10 DGCDRN Oc1ccc(Cl)cc1CN1CCO[C@H](Cc2ccccc2)C1 ZINC000776691758 623451997 /nfs/dbraw/zinc/45/19/97/623451997.db2.gz MMOQVAFXJJWZSZ-QGZVFWFLSA-N 0 0 317.816 3.489 20 10 DGCDRN CC(C)(C)c1cc(O)c(O)c(CN2CCO[C@H](C3CC3)C2)c1 ZINC000776767372 623461739 /nfs/dbraw/zinc/46/17/39/623461739.db2.gz GUWGIEMHQNBWGF-INIZCTEOSA-N 0 0 305.418 3.006 20 10 DGCDRN O=C(NC[C@@H]1CCCC(F)(F)C1)N1Cc2cccc(O)c2C1 ZINC000875559634 623465121 /nfs/dbraw/zinc/46/51/21/623465121.db2.gz NEOVLOPWPLJOTL-LLVKDONJSA-N 0 0 310.344 3.243 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CC=C(c3ccccc3)C2)cc1 ZINC000776966225 623479936 /nfs/dbraw/zinc/47/99/36/623479936.db2.gz NCDXNEWSGKWMSP-UHFFFAOYSA-N 0 0 321.424 3.361 20 10 DGCDRN O=C(N[C@@H]1CCC[C@H](C2CC2)C1)N1Cc2cccc(O)c2C1 ZINC000875684195 623480244 /nfs/dbraw/zinc/48/02/44/623480244.db2.gz QSKPKSWNUMXDPX-DZGCQCFKSA-N 0 0 300.402 3.386 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC(C)(C)F ZINC000875944774 623512542 /nfs/dbraw/zinc/51/25/42/623512542.db2.gz NVTZOJVJCWETMS-UHFFFAOYSA-N 0 0 309.429 3.421 20 10 DGCDRN Cc1ncc(C(=O)NCc2ccc(N3CCCCC3)cc2)c(C)n1 ZINC000777372071 623517257 /nfs/dbraw/zinc/51/72/57/623517257.db2.gz BAJBVNYYAGCIDZ-UHFFFAOYSA-N 0 0 324.428 3.014 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000875988300 623520156 /nfs/dbraw/zinc/52/01/56/623520156.db2.gz FROXZGWKXUWKIT-IIAWOOMASA-N 0 0 320.433 3.270 20 10 DGCDRN Cc1cccc(NCC[NH2+]Cc2cc(Cl)cc(F)c2[O-])n1 ZINC000777483260 623531022 /nfs/dbraw/zinc/53/10/22/623531022.db2.gz KLYFRXJUIIOJKP-UHFFFAOYSA-N 0 0 309.772 3.090 20 10 DGCDRN CCOc1ccc(CNc2nnc(CC(C)(C)C)o2)c(O)c1 ZINC000777516320 623534864 /nfs/dbraw/zinc/53/48/64/623534864.db2.gz WQKUCGNPEPTCAZ-UHFFFAOYSA-N 0 0 305.378 3.375 20 10 DGCDRN O=C(Nc1cccc(N2CCCCC2)c1)c1c(O)cccc1O ZINC000125721661 623535797 /nfs/dbraw/zinc/53/57/97/623535797.db2.gz DEVVASDMITZJBH-UHFFFAOYSA-N 0 0 312.369 3.340 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1C[C@H](SC)C1 ZINC000876064514 623537603 /nfs/dbraw/zinc/53/76/03/623537603.db2.gz PRZBBXDJJKZKGL-HDJSIYSDSA-N 0 0 308.447 3.208 20 10 DGCDRN CCN(CC(=O)c1cc(C)[nH]c1C)c1ccc(OC)c(OC)c1 ZINC000777606513 623547215 /nfs/dbraw/zinc/54/72/15/623547215.db2.gz DMRMFGFKAXSOPY-UHFFFAOYSA-N 0 0 316.401 3.358 20 10 DGCDRN CCOc1ccc(CNc2nncn2Cc2ccccc2)c(O)c1 ZINC000777740618 623563996 /nfs/dbraw/zinc/56/39/96/623563996.db2.gz ZBKOAIVWBBRBGV-UHFFFAOYSA-N 0 0 324.384 3.043 20 10 DGCDRN O=C(Nc1cccc(N2CCCC2)c1)c1ccc(O)cc1F ZINC000777797211 623569349 /nfs/dbraw/zinc/56/93/49/623569349.db2.gz PMBPXVIMUJDJQI-UHFFFAOYSA-N 0 0 300.333 3.384 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2cccnn21 ZINC000777854076 623576387 /nfs/dbraw/zinc/57/63/87/623576387.db2.gz WDFSORXESJPLPB-UHFFFAOYSA-N 0 0 322.412 3.063 20 10 DGCDRN Cc1ccc(/C=C\C(=O)NCCCSc2nccs2)cn1 ZINC000777860478 623577238 /nfs/dbraw/zinc/57/72/38/623577238.db2.gz NYRPCSDOTCQGCY-WAYWQWQTSA-N 0 0 319.455 3.158 20 10 DGCDRN C/C(=C/C(=O)N1C[C@@H](C)Cc2cccc(F)c21)c1cnccn1 ZINC000876417827 623604868 /nfs/dbraw/zinc/60/48/68/623604868.db2.gz QCNGNXRJNYEVNH-VWLVURMCSA-N 0 0 311.360 3.244 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC12CCC2 ZINC000876425382 623607328 /nfs/dbraw/zinc/60/73/28/623607328.db2.gz ATYLMSYRMLSPDJ-MRXNPFEDSA-N 0 0 301.434 3.227 20 10 DGCDRN Nc1ccc(CCNC(=O)C2CCc3ccccc3CC2)cc1 ZINC000876527457 623633639 /nfs/dbraw/zinc/63/36/39/623633639.db2.gz GBVHQLHPNRZXTE-UHFFFAOYSA-N 0 0 308.425 3.123 20 10 DGCDRN Nc1ccc(CCNC(=O)CCc2ccc(C(F)F)cc2)cc1 ZINC000876527909 623634507 /nfs/dbraw/zinc/63/45/07/623634507.db2.gz HDRJWOHRLFWPCA-UHFFFAOYSA-N 0 0 318.367 3.498 20 10 DGCDRN COc1ccc(C[N@H+](C)Cc2ccc(F)c(F)c2[O-])cc1F ZINC000876546489 623639737 /nfs/dbraw/zinc/63/97/37/623639737.db2.gz KZFSTUNEYJUHSY-UHFFFAOYSA-N 0 0 311.303 3.450 20 10 DGCDRN CC[C@H](C)n1nc(C(=O)N(C)Cc2ccccc2O)cc1C ZINC000778324068 623639781 /nfs/dbraw/zinc/63/97/81/623639781.db2.gz BMHRISJJOQUNDB-LBPRGKRZSA-N 0 0 301.390 3.140 20 10 DGCDRN CC[C@@](C)(CCO)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000778433216 623657783 /nfs/dbraw/zinc/65/77/83/623657783.db2.gz JJYBXYWZSGXPAC-IBGZPJMESA-N 0 0 314.429 3.375 20 10 DGCDRN COc1ccc2c(c1)CCCN2CN1CC2(CCCC2)OC1=O ZINC000778574729 623671782 /nfs/dbraw/zinc/67/17/82/623671782.db2.gz KVOYBUCEXFZEFP-UHFFFAOYSA-N 0 0 316.401 3.170 20 10 DGCDRN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CC=CCC2)c1[O-] ZINC000778577816 623672881 /nfs/dbraw/zinc/67/28/81/623672881.db2.gz YIIQHXOFILOKKP-UHFFFAOYSA-N 0 0 309.365 3.091 20 10 DGCDRN Cc1cccc(O)c1CN(C)Cc1nccn1CC(F)(F)F ZINC000876685334 623680888 /nfs/dbraw/zinc/68/08/88/623680888.db2.gz OZWNBWQCDBYUIE-UHFFFAOYSA-N 0 0 313.323 3.091 20 10 DGCDRN [O-]c1c(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)ccc(F)c1F ZINC000876807426 623710635 /nfs/dbraw/zinc/71/06/35/623710635.db2.gz DHOHSNVILXEOQE-GXTWGEPZSA-N 0 0 323.339 3.352 20 10 DGCDRN Cc1ccc(CNc2ccc(CN3CCCC3=O)cc2)c(O)c1 ZINC000876821166 623718082 /nfs/dbraw/zinc/71/80/82/623718082.db2.gz BLESYPFSXHFMBB-UHFFFAOYSA-N 0 0 310.397 3.435 20 10 DGCDRN CO[C@@H](C)C(=O)Nc1cccc(NCc2ccc(C)cc2O)c1 ZINC000876826148 623720313 /nfs/dbraw/zinc/72/03/13/623720313.db2.gz IATLBIVSEDALSX-ZDUSSCGKSA-N 0 0 314.385 3.286 20 10 DGCDRN CO[C@H](C)C(=O)Nc1cccc(NCc2ccc(C)cc2O)c1 ZINC000876826147 623720410 /nfs/dbraw/zinc/72/04/10/623720410.db2.gz IATLBIVSEDALSX-CYBMUJFWSA-N 0 0 314.385 3.286 20 10 DGCDRN Cc1ccc(CNc2ccccc2CN2CCOCC2)c(O)c1 ZINC000876848853 623727083 /nfs/dbraw/zinc/72/70/83/623727083.db2.gz MWOJFTOKRMLFQC-UHFFFAOYSA-N 0 0 312.413 3.145 20 10 DGCDRN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H]1CCCC[C@@H]1O ZINC000779154987 623735018 /nfs/dbraw/zinc/73/50/18/623735018.db2.gz XVRDFQAPQLYSJS-HZMBPMFUSA-N 0 0 301.789 3.168 20 10 DGCDRN CC(C)C[C@@H](NCc1cc(F)ccc1O)C(=O)OC(C)(C)C ZINC000779156391 623736548 /nfs/dbraw/zinc/73/65/48/623736548.db2.gz NJLJXHAPUIXAKI-CQSZACIVSA-N 0 0 311.397 3.377 20 10 DGCDRN [O-]c1c(C[NH2+]C[C@H]2CCN(c3ccccc3)C2)ccc(F)c1F ZINC000876928778 623747162 /nfs/dbraw/zinc/74/71/62/623747162.db2.gz CRSDPRWIGSQYJP-CYBMUJFWSA-N 0 0 318.367 3.287 20 10 DGCDRN CCCOc1ccc(C[NH2+]Cc2ccc(F)c(F)c2[O-])cn1 ZINC000876938883 623749462 /nfs/dbraw/zinc/74/94/62/623749462.db2.gz CZDKTGPCSBUJMA-UHFFFAOYSA-N 0 0 308.328 3.144 20 10 DGCDRN CC(C)CCO[C@H]1CC[C@H](NC(=O)Cc2ccc(N)cc2)CC1 ZINC000877031094 623769700 /nfs/dbraw/zinc/76/97/00/623769700.db2.gz MFLWEGOSLNOWFE-IYARVYRRSA-N 0 0 318.461 3.301 20 10 DGCDRN COc1cccc2c1N(C(=O)/C=C/c1ccc(C)nc1)CCC2 ZINC000779471105 623773533 /nfs/dbraw/zinc/77/35/33/623773533.db2.gz ALLRBTXMRJCWIC-ZHACJKMWSA-N 0 0 308.381 3.391 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000779486378 623774094 /nfs/dbraw/zinc/77/40/94/623774094.db2.gz WQDCPFNMKZABGD-LPXAQJHASA-N 0 0 301.386 3.196 20 10 DGCDRN CCN1C(=O)/C(=C\c2ccnn2-c2ccccc2)SC1=S ZINC000790597525 625675138 /nfs/dbraw/zinc/67/51/38/625675138.db2.gz DKLHVNQQUJWHDO-JLHYYAGUSA-N 0 0 315.423 3.093 20 10 DGCDRN OC1CCN(c2ccc(CNc3ccc4c(c3)CCO4)cc2)CC1 ZINC000877045992 623775438 /nfs/dbraw/zinc/77/54/38/623775438.db2.gz IFWMOGVMRZWROQ-UHFFFAOYSA-N 0 0 324.424 3.195 20 10 DGCDRN C[C@@H]1CCC[C@H](CCNC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000779517632 623776658 /nfs/dbraw/zinc/77/66/58/623776658.db2.gz CGEAABCNJQCRLH-JFDUVMPXSA-N 0 0 303.402 3.444 20 10 DGCDRN COc1c(F)cc(F)cc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779533004 623777257 /nfs/dbraw/zinc/77/72/57/623777257.db2.gz VJMYVQPOWAAQEK-HWKANZROSA-N 0 0 321.279 3.037 20 10 DGCDRN Cc1ccc(CC[C@@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)o1 ZINC000779523446 623777427 /nfs/dbraw/zinc/77/74/27/623777427.db2.gz BZJIUMWYNHOWEP-GCZGVDRJSA-N 0 0 315.369 3.150 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N3CC4(C3)CCCC4)ccc21 ZINC000779548876 623778001 /nfs/dbraw/zinc/77/80/01/623778001.db2.gz BNSIJPNCFKHOQQ-UHFFFAOYSA-N 0 0 313.445 3.155 20 10 DGCDRN CC1(C)CCC(CNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000779540705 623778140 /nfs/dbraw/zinc/77/81/40/623778140.db2.gz CNGAXINXBNPDQP-GQCTYLIASA-N 0 0 303.402 3.444 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cncc2ccccc21 ZINC000779543228 623778162 /nfs/dbraw/zinc/77/81/62/623778162.db2.gz VYSSQMVMDKZXRE-SOFGYWHQSA-N 0 0 306.321 3.298 20 10 DGCDRN CSc1ccc(N(C)C(=O)/C=C/c2cncc(O)c2)cc1 ZINC000779665017 623785568 /nfs/dbraw/zinc/78/55/68/623785568.db2.gz OGRQDIXRHAQUFW-FPYGCLRLSA-N 0 0 300.383 3.185 20 10 DGCDRN Cc1ccccc1C1(C(=O)N(C)c2ccc(N)cc2)CCOCC1 ZINC000877078218 623786019 /nfs/dbraw/zinc/78/60/19/623786019.db2.gz IHWAWDNWVOLIQU-UHFFFAOYSA-N 0 0 324.424 3.288 20 10 DGCDRN CC[C@@H](C)[C@H](CN(C)c1cc(OC)c(OC)c(OC)c1)OC ZINC000877179992 623819320 /nfs/dbraw/zinc/81/93/20/623819320.db2.gz MILMPWWKOVJASG-WBMJQRKESA-N 0 0 311.422 3.210 20 10 DGCDRN COc1ccc(N(C)Cc2cccn(C(F)F)c2=O)cc1F ZINC000877180955 623819786 /nfs/dbraw/zinc/81/97/86/623819786.db2.gz CMWGSZORJZEBIB-UHFFFAOYSA-N 0 0 312.291 3.028 20 10 DGCDRN CCC1=C(C(=O)NCCCSc2nccs2)CCCO1 ZINC000790637424 625681061 /nfs/dbraw/zinc/68/10/61/625681061.db2.gz QBNSRTWKVKEVHG-UHFFFAOYSA-N 0 0 312.460 3.216 20 10 DGCDRN Cc1cccc(O)c1CNc1cccc(N2CCNC2=O)c1C ZINC000877483668 623905429 /nfs/dbraw/zinc/90/54/29/623905429.db2.gz PBAPKYYJCFGYDT-UHFFFAOYSA-N 0 0 311.385 3.151 20 10 DGCDRN C[C@@H]1CC[C@@H](NC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000780360688 623916277 /nfs/dbraw/zinc/91/62/77/623916277.db2.gz ZWOTWMDSKQATKA-CZUORRHYSA-N 0 0 301.434 3.057 20 10 DGCDRN O=S(=O)(Nc1ccc(O)cc1F)c1cccc(C(F)F)c1 ZINC000780401767 623923878 /nfs/dbraw/zinc/92/38/78/623923878.db2.gz KIXIKEDDYPKHCN-UHFFFAOYSA-N 0 0 317.288 3.270 20 10 DGCDRN Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877532693 623928835 /nfs/dbraw/zinc/92/88/35/623928835.db2.gz WQBSHHJPTAZRIU-ZDUSSCGKSA-N 0 0 307.344 3.347 20 10 DGCDRN COc1ccc2c(c1)CCCCN2Cc1ccc(Cl)nn1 ZINC000877537163 623931825 /nfs/dbraw/zinc/93/18/25/623931825.db2.gz HMLQMJGUUUMSRE-UHFFFAOYSA-N 0 0 303.793 3.482 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)ccc(F)c1F ZINC000877541521 623934062 /nfs/dbraw/zinc/93/40/62/623934062.db2.gz PKAGPYXRTBZAFF-BBRMVZONSA-N 0 0 309.356 3.204 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)ccc(F)c1F ZINC000877553474 623939701 /nfs/dbraw/zinc/93/97/01/623939701.db2.gz SYBXACPMMPTTGD-INIZCTEOSA-N 0 0 309.356 3.061 20 10 DGCDRN Cc1c(NCc2ccc(C)cc2O)cnn1C1CCOCC1 ZINC000877557114 623940083 /nfs/dbraw/zinc/94/00/83/623940083.db2.gz NTMRSDWJKNANMC-UHFFFAOYSA-N 0 0 301.390 3.169 20 10 DGCDRN CCOC(C)(C)C[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000780583411 623955260 /nfs/dbraw/zinc/95/52/60/623955260.db2.gz PPFZACUFNREKCR-UHFFFAOYSA-N 0 0 316.239 3.368 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Cc2cccc(C(F)F)c2)c1 ZINC000790713589 625688928 /nfs/dbraw/zinc/68/89/28/625688928.db2.gz SKZWSBOZJOTVFE-UHFFFAOYSA-N 0 0 321.323 3.197 20 10 DGCDRN Cc1ccc(CN2C[C@H](C)O[C@@H](CC(F)(F)F)C2)c(O)c1 ZINC000877639673 623973528 /nfs/dbraw/zinc/97/35/28/623973528.db2.gz OLFUOSRBBDBRLY-AAEUAGOBSA-N 0 0 303.324 3.242 20 10 DGCDRN c1ccc2c(c1)CCCN2Cc1ccc(N2CCOCC2)cc1 ZINC000780755430 623979604 /nfs/dbraw/zinc/97/96/04/623979604.db2.gz VBYFOILQXZCDCK-UHFFFAOYSA-N 0 0 308.425 3.476 20 10 DGCDRN COC(=O)C[C@H]1CN(Cc2ccc(N(C)C)cc2)c2ccccc21 ZINC000780774167 623982364 /nfs/dbraw/zinc/98/23/64/623982364.db2.gz JWRXRAVHFYVZCS-INIZCTEOSA-N 0 0 324.424 3.420 20 10 DGCDRN COC(=O)[C@](C)(NCc1cccc(C)c1O)c1ccc(F)cc1 ZINC000877675725 623987904 /nfs/dbraw/zinc/98/79/04/623987904.db2.gz OXIXHXYTJFRCGK-GOSISDBHSA-N 0 0 317.360 3.018 20 10 DGCDRN C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000877697615 623995361 /nfs/dbraw/zinc/99/53/61/623995361.db2.gz PEPITCGZVVYZON-KRWDZBQOSA-N 0 0 323.795 3.268 20 10 DGCDRN COC(=O)c1coc(CNCc2c(O)cc(C)cc2Cl)c1 ZINC000877699223 623995587 /nfs/dbraw/zinc/99/55/87/623995587.db2.gz BVNVMOUENJAPLB-UHFFFAOYSA-N 0 0 309.749 3.023 20 10 DGCDRN Cc1ccc(-n2nnnc2Sc2ncc(Cl)s2)cc1 ZINC000780906947 623995943 /nfs/dbraw/zinc/99/59/43/623995943.db2.gz RVOQWCQLPWLZDG-UHFFFAOYSA-N 0 0 309.807 3.232 20 10 DGCDRN COc1cc(Br)cc(CN2CC(C)(C)C2)c1O ZINC000877718183 624000801 /nfs/dbraw/zinc/00/08/01/624000801.db2.gz YZZSPJQEMNXYLA-UHFFFAOYSA-N 0 0 300.196 3.005 20 10 DGCDRN Cc1ccccc1CC1CN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000780966259 624005622 /nfs/dbraw/zinc/00/56/22/624005622.db2.gz YKBDRXJWCSUDCD-UHFFFAOYSA-N 0 0 311.381 3.029 20 10 DGCDRN Cc1cc(NC(=O)c2ccc(C)c(O)c2O)nn1-c1ccccc1 ZINC000781012539 624009574 /nfs/dbraw/zinc/00/95/74/624009574.db2.gz GCEJNGTUTVLKPO-UHFFFAOYSA-N 0 0 323.352 3.153 20 10 DGCDRN Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000781153596 624030565 /nfs/dbraw/zinc/03/05/65/624030565.db2.gz XUWOWYWHGXJQPI-GFCCVEGCSA-N 0 0 308.328 3.144 20 10 DGCDRN CCC(CC)CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000126741553 624062673 /nfs/dbraw/zinc/06/26/73/624062673.db2.gz ISBKOFTUFFSROK-UHFFFAOYSA-N 0 0 301.434 3.298 20 10 DGCDRN O=C1N[C@H](c2ccc(Br)cc2O)Nc2ccccc21 ZINC000877842195 624065799 /nfs/dbraw/zinc/06/57/99/624065799.db2.gz ASMQCRLILOEVOL-CYBMUJFWSA-N 0 0 319.158 3.009 20 10 DGCDRN Cc1ccc2c(c1)N[C@H](c1cc(Cl)cc(F)c1O)NC2=O ZINC000877864619 624073935 /nfs/dbraw/zinc/07/39/35/624073935.db2.gz OYJNORUPTCIGQG-AWEZNQCLSA-N 0 0 306.724 3.347 20 10 DGCDRN Cc1ccc2c(c1)N[C@H](c1cc(Cl)c(F)cc1O)NC2=O ZINC000877864657 624074069 /nfs/dbraw/zinc/07/40/69/624074069.db2.gz PYJVTFHJRAPPSL-AWEZNQCLSA-N 0 0 306.724 3.347 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H](C)c2cn[nH]c2)c1 ZINC000781636238 624111695 /nfs/dbraw/zinc/11/16/95/624111695.db2.gz PPQQCZVJYNQXAS-SECBINFHSA-N 0 0 310.195 3.037 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)Cc2cnc(C)o2)cc1 ZINC000877989651 624128225 /nfs/dbraw/zinc/12/82/25/624128225.db2.gz ACRGAVSRYQUYEK-UHFFFAOYSA-N 0 0 315.417 3.030 20 10 DGCDRN CCOc1c(Cl)cccc1CC(=O)NCc1ccccc1O ZINC000790794800 625699484 /nfs/dbraw/zinc/69/94/84/625699484.db2.gz SCURPGBOOYKZCC-UHFFFAOYSA-N 0 0 319.788 3.303 20 10 DGCDRN C[C@@H](NC(=O)c1csc(Cl)n1)c1ccc(N(C)C)cc1 ZINC000781993144 624185529 /nfs/dbraw/zinc/18/55/29/624185529.db2.gz BCGMCRDXMSNXTD-SECBINFHSA-N 0 0 309.822 3.354 20 10 DGCDRN CCCN(Cc1nc(C2CCC2)no1)Cc1ccccc1O ZINC000878150617 624190494 /nfs/dbraw/zinc/19/04/94/624190494.db2.gz FWIHVULRYZQMEC-UHFFFAOYSA-N 0 0 301.390 3.455 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1ncnc2sccc21 ZINC000782041078 624193311 /nfs/dbraw/zinc/19/33/11/624193311.db2.gz FUEPFUZXMQEDMJ-VIFPVBQESA-N 0 0 301.371 3.146 20 10 DGCDRN CCN(C[C@H]1CC2(CO1)CCOCC2)c1ccc(OC)cc1 ZINC000878218857 624219364 /nfs/dbraw/zinc/21/93/64/624219364.db2.gz AMSDJTCBROBVID-QGZVFWFLSA-N 0 0 305.418 3.107 20 10 DGCDRN CCN(C[C@@H]1CCC2(CCOCC2)CO1)c1ccc(OC)cc1 ZINC000878219922 624219591 /nfs/dbraw/zinc/21/95/91/624219591.db2.gz USAAKFSDXAXOBO-SFHVURJKSA-N 0 0 319.445 3.497 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C/c1scnc1C1CC1 ZINC000782304467 624236537 /nfs/dbraw/zinc/23/65/37/624236537.db2.gz CDABDBMLIZCWMN-XYOKQWHBSA-N 0 0 319.455 3.477 20 10 DGCDRN CO[C@H](C)CCC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000782608296 624266530 /nfs/dbraw/zinc/26/65/30/624266530.db2.gz NTOUXCTUNXZFFT-OAHLLOKOSA-N 0 0 304.434 3.108 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2C[C@H](C)O[C@@H](C)[C@H]2C)c1O ZINC000782630228 624268997 /nfs/dbraw/zinc/26/89/97/624268997.db2.gz ZAKQSBGVDKLPPN-UMNHJUIQSA-N 0 0 311.809 3.246 20 10 DGCDRN COc1cccc2ncnc(N(C)Cc3ccc(N(C)C)cc3)c21 ZINC000782944998 624293203 /nfs/dbraw/zinc/29/32/03/624293203.db2.gz MEAANWXUMDCGML-UHFFFAOYSA-N 0 0 322.412 3.341 20 10 DGCDRN Cc1ccc(C(=O)OC[C@H]2CCC3(CCCC3)O2)c(O)c1O ZINC000783342699 624339064 /nfs/dbraw/zinc/33/90/64/624339064.db2.gz DAHNBBLYRJJTPI-GFCCVEGCSA-N 0 0 306.358 3.055 20 10 DGCDRN C[C@H]1CCC[C@H](CC(=O)OCC(=O)c2ccc(O)c(O)c2)C1 ZINC000783339252 624339085 /nfs/dbraw/zinc/33/90/85/624339085.db2.gz BRZYAVAQGNGZHU-RYUDHWBXSA-N 0 0 306.358 3.040 20 10 DGCDRN C[C@@H](NC(=O)Nc1cnn(C(C)(C)C)c1)c1ccccc1O ZINC000878828237 624367973 /nfs/dbraw/zinc/36/79/73/624367973.db2.gz LGCPOLHTTSOCMD-LLVKDONJSA-N 0 0 302.378 3.226 20 10 DGCDRN O=C(NCCCSc1nccs1)[C@@H]1CCCCS1 ZINC000783576416 624368293 /nfs/dbraw/zinc/36/82/93/624368293.db2.gz LZRIQYSKWHDIHM-JTQLQIEISA-N 0 0 302.490 3.027 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccnc(C2CC2)c1 ZINC000783590096 624371587 /nfs/dbraw/zinc/37/15/87/624371587.db2.gz UTEQRMXMWQZHTA-UHFFFAOYSA-N 0 0 322.408 3.473 20 10 DGCDRN COc1cccc(O)c1C[NH+]1CCC(c2ccc(C)nc2)CC1 ZINC000783603785 624374242 /nfs/dbraw/zinc/37/42/42/624374242.db2.gz YJESENIFSMLNPK-UHFFFAOYSA-N 0 0 312.413 3.484 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)C[C@@H](C)O ZINC000783630837 624377235 /nfs/dbraw/zinc/37/72/35/624377235.db2.gz KZURZIXLLWKUJX-GXFFZTMASA-N 0 0 306.431 3.045 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](O)C1CCCCC1 ZINC000783666094 624381019 /nfs/dbraw/zinc/38/10/19/624381019.db2.gz GQXPMBWNYXIDJT-KRWDZBQOSA-N 0 0 305.418 3.072 20 10 DGCDRN O=C(NCc1ccccc1O)c1ncsc1-c1ccccc1 ZINC000783676109 624382936 /nfs/dbraw/zinc/38/29/36/624382936.db2.gz BLFWZSVKEPMISV-UHFFFAOYSA-N 0 0 310.378 3.446 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccc(F)cn2)cc1 ZINC000783803530 624397514 /nfs/dbraw/zinc/39/75/14/624397514.db2.gz AAXIMZFHOMRPPI-UHFFFAOYSA-N 0 0 315.392 3.339 20 10 DGCDRN Cc1ccc(NC(=O)N[C@@H](C)c2ccccc2O)c(N(C)C)n1 ZINC000879001909 624405893 /nfs/dbraw/zinc/40/58/93/624405893.db2.gz MLXLNVUMTHWSOO-LBPRGKRZSA-N 0 0 314.389 3.044 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)N1CCc2cc(F)c(F)cc21 ZINC000783907276 624407490 /nfs/dbraw/zinc/40/74/90/624407490.db2.gz QRCCNJOMPJVUQC-NSCUHMNNSA-N 0 0 300.308 3.271 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)c1cccc(Cl)c1[O-] ZINC000806149441 624411477 /nfs/dbraw/zinc/41/14/77/624411477.db2.gz SNCXOXWMWMEBDA-LDYMZIIASA-N 0 0 311.731 3.400 20 10 DGCDRN CCOC(=O)c1ccccc1N(C)C(=O)/C=C\c1cnccc1C ZINC000783959837 624413438 /nfs/dbraw/zinc/41/34/38/624413438.db2.gz ROQIOQIHFGXFKG-KTKRTIGZSA-N 0 0 324.380 3.243 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)NCc1ccc(N(C)C)cc1C ZINC000784005264 624419614 /nfs/dbraw/zinc/41/96/14/624419614.db2.gz KBXLZPUDEDCXEZ-SOFGYWHQSA-N 0 0 309.413 3.094 20 10 DGCDRN C[C@@H](NC(=O)c1cccc(O)c1O)c1ccc2ncsc2c1 ZINC000790945309 625718696 /nfs/dbraw/zinc/71/86/96/625718696.db2.gz JLXWFFGARXVASR-SECBINFHSA-N 0 0 314.366 3.199 20 10 DGCDRN Cc1ccncc1/C=C\C(=O)N1CCCN(C)c2ccccc21 ZINC000784027058 624425026 /nfs/dbraw/zinc/42/50/26/624425026.db2.gz UHYDADSOUVVGLT-HJWRWDBZSA-N 0 0 307.397 3.276 20 10 DGCDRN CC(C)[C@H](F)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000784130820 624441623 /nfs/dbraw/zinc/44/16/23/624441623.db2.gz YCLNYEXNDTVQGX-AWEZNQCLSA-N 0 0 312.348 3.329 20 10 DGCDRN CN(CCCCC(=O)OC(C)(C)C)c1ccc2c(c1)OCO2 ZINC000784203787 624454308 /nfs/dbraw/zinc/45/43/08/624454308.db2.gz FBWVAGJULLLXKT-UHFFFAOYSA-N 0 0 307.390 3.364 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1CCC2(CCCC2)O1 ZINC000784286758 624482705 /nfs/dbraw/zinc/48/27/05/624482705.db2.gz NCOIGHFRWZYGPO-YVARQFDVSA-N 0 0 318.369 3.146 20 10 DGCDRN Cc1cc(NCc2cc([N+](=O)[O-])ccc2[O-])nn1[C@@H](C)C1CC1 ZINC000784613176 624557980 /nfs/dbraw/zinc/55/79/80/624557980.db2.gz TWGXKEKHGKMPJO-NSHDSACASA-N 0 0 316.361 3.388 20 10 DGCDRN Cn1c(=O)oc2cc(NCc3c(O)cccc3Cl)ccc21 ZINC000127869687 624600631 /nfs/dbraw/zinc/60/06/31/624600631.db2.gz SPQIPTINWALIQQ-UHFFFAOYSA-N 0 0 304.733 3.103 20 10 DGCDRN C[C@@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@H](C)C1 ZINC000127912545 624620299 /nfs/dbraw/zinc/62/02/99/624620299.db2.gz LGXMXCXFHLMADI-HZPDHXFCSA-N 0 0 313.445 3.393 20 10 DGCDRN CC[C@@]1(C)CN(Cc2cc(Cl)cc(C(C)=O)c2O)CCO1 ZINC000785492369 624676432 /nfs/dbraw/zinc/67/64/32/624676432.db2.gz AXDNWNLKCZRTSS-INIZCTEOSA-N 0 0 311.809 3.249 20 10 DGCDRN CC[C@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000128031535 624691770 /nfs/dbraw/zinc/69/17/70/624691770.db2.gz FSVJNOPSABMAFA-INIZCTEOSA-N 0 0 313.445 3.394 20 10 DGCDRN CC[C@@]1(C)CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000785585957 624691780 /nfs/dbraw/zinc/69/17/80/624691780.db2.gz SQQLQOWJIUELFM-KSSFIOAISA-N 0 0 319.449 3.024 20 10 DGCDRN Cc1cncc(/C=C/C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000128051189 624707873 /nfs/dbraw/zinc/70/78/73/624707873.db2.gz XNLDFTGIOVXNNC-QPJJXVBHSA-N 0 0 323.352 3.291 20 10 DGCDRN CN(C)c1ccc(CN2CCC(=O)N(C)c3ccccc32)cc1 ZINC000785754375 624725121 /nfs/dbraw/zinc/72/51/21/624725121.db2.gz ASLHXOBNQNRGGJ-UHFFFAOYSA-N 0 0 309.413 3.126 20 10 DGCDRN COc1ccc(N(C)Cc2ccc(N(C)C)cc2)c(OC)c1 ZINC000785764194 624729187 /nfs/dbraw/zinc/72/91/87/624729187.db2.gz QYBQSMNPYYNIPF-UHFFFAOYSA-N 0 0 300.402 3.406 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cc(Cl)c(Cl)[nH]2)cc1 ZINC000023694857 624774886 /nfs/dbraw/zinc/77/48/86/624774886.db2.gz MGWQHKZTUHDDIO-UHFFFAOYSA-N 0 0 312.200 3.318 20 10 DGCDRN CCOc1ccc(NC(=O)N[C@@H](C)c2ccccc2O)nc1C ZINC000880151662 624810359 /nfs/dbraw/zinc/81/03/59/624810359.db2.gz TXTXUYDWCZTUBH-NSHDSACASA-N 0 0 315.373 3.377 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc[nH]c2C2CC2)c1 ZINC000786410254 624873816 /nfs/dbraw/zinc/87/38/16/624873816.db2.gz SFBXWSMFJXAJPY-SNVBAGLBSA-N 0 0 300.358 3.097 20 10 DGCDRN CC[C@H]([NH2+]Cc1ccnc(N(C)C)n1)c1cccc(Cl)c1[O-] ZINC000806150259 624911600 /nfs/dbraw/zinc/91/16/00/624911600.db2.gz OMHJJJYEJCHRBC-AWEZNQCLSA-N 0 0 320.824 3.143 20 10 DGCDRN Cc1ccc(C[C@H](CO)[NH2+]Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC000786578829 624925014 /nfs/dbraw/zinc/92/50/14/624925014.db2.gz JHSUWIDLAOYBNZ-OAHLLOKOSA-N 0 0 323.795 3.186 20 10 DGCDRN Cc1ccc(C[C@@H](CO)[NH2+]Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC000786578825 624925167 /nfs/dbraw/zinc/92/51/67/624925167.db2.gz JHSUWIDLAOYBNZ-HNNXBMFYSA-N 0 0 323.795 3.186 20 10 DGCDRN COC(=O)CCc1cccc(NCc2cccc(OC)c2O)c1 ZINC000786577910 624925424 /nfs/dbraw/zinc/92/54/24/624925424.db2.gz SJDNYTDHJKXJOG-UHFFFAOYSA-N 0 0 315.369 3.119 20 10 DGCDRN Cc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1C ZINC000128430690 624957170 /nfs/dbraw/zinc/95/71/70/624957170.db2.gz VVZXDWCVWBEKLN-UHFFFAOYSA-N 0 0 300.358 3.079 20 10 DGCDRN Cc1cc(CN2CCc3ncncc3C2)ccc1N1CCCCC1 ZINC000880598868 624985430 /nfs/dbraw/zinc/98/54/30/624985430.db2.gz BCGAGMNECSZSSF-UHFFFAOYSA-N 0 0 322.456 3.334 20 10 DGCDRN Oc1ccccc1C[N@H+](CCOCC(F)F)Cc1ccco1 ZINC000787261231 624992722 /nfs/dbraw/zinc/99/27/22/624992722.db2.gz RVKYMPYPYHXXTJ-UHFFFAOYSA-N 0 0 311.328 3.269 20 10 DGCDRN CC(=O)C[C@H](C)NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000128544381 624993546 /nfs/dbraw/zinc/99/35/46/624993546.db2.gz JDRKKCOWIRCDFM-ZDUSSCGKSA-N 0 0 312.413 3.500 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000787405092 625007546 /nfs/dbraw/zinc/00/75/46/625007546.db2.gz CXDNZTWOJPBOTR-PIIMJCKOSA-N 0 0 315.461 3.471 20 10 DGCDRN CCOC(=O)[C@H](CC)N(Cc1cc(C)c(C)cc1O)C1CC1 ZINC000787438578 625010885 /nfs/dbraw/zinc/01/08/85/625010885.db2.gz CMSLZGPBKNWUAJ-INIZCTEOSA-N 0 0 305.418 3.315 20 10 DGCDRN C[C@H](CC(=O)NCc1ccc(O)c(O)c1)c1c[nH]c2ccccc21 ZINC000787448246 625012013 /nfs/dbraw/zinc/01/20/13/625012013.db2.gz COGABDJEKJEVDA-GFCCVEGCSA-N 0 0 324.380 3.389 20 10 DGCDRN Cn1c(=O)oc2ccc(NCc3c(O)cccc3Cl)cc21 ZINC000128601840 625047290 /nfs/dbraw/zinc/04/72/90/625047290.db2.gz SHGPKVHKEUCUKU-UHFFFAOYSA-N 0 0 304.733 3.103 20 10 DGCDRN Cc1cc(C(=O)N2CCC(=O)[C@H](C)C2)c(C)n1-c1ccccc1C ZINC000787908736 625073817 /nfs/dbraw/zinc/07/38/17/625073817.db2.gz PNUQZQOIVGXQIC-CQSZACIVSA-N 0 0 324.424 3.454 20 10 DGCDRN CC(C)[C@@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])c1ccnn1C ZINC000788258780 625105509 /nfs/dbraw/zinc/10/55/09/625105509.db2.gz IWXVWLPOVCYDNC-BXUZGUMPSA-N 0 0 323.387 3.494 20 10 DGCDRN Cc1ccnc(-c2noc(-c3ccc(-n4cccc4)cc3)n2)n1 ZINC000788479371 625193623 /nfs/dbraw/zinc/19/36/23/625193623.db2.gz XHMGCDYBPSDBFR-UHFFFAOYSA-N 0 0 303.325 3.293 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000788593223 625222169 /nfs/dbraw/zinc/22/21/69/625222169.db2.gz GXPKGCVVBJZZEY-QWRGUYRKSA-N 0 0 314.351 3.298 20 10 DGCDRN C[C@@H]([NH2+]CC(C)(C)CCO)c1cccc(C(F)(F)F)c1[O-] ZINC000788608330 625227545 /nfs/dbraw/zinc/22/75/45/625227545.db2.gz FJKRGUNSECQKGB-SNVBAGLBSA-N 0 0 305.340 3.470 20 10 DGCDRN C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000788763486 625261430 /nfs/dbraw/zinc/26/14/30/625261430.db2.gz IZICROYZVQVTHX-UWJYBYFXSA-N 0 0 303.324 3.221 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000788774366 625262704 /nfs/dbraw/zinc/26/27/04/625262704.db2.gz CREUKYHKKZBQJP-AXFHLTTASA-N 0 0 303.324 3.223 20 10 DGCDRN C[C@@H](NC(=O)c1nc(Cl)cs1)c1ccc(N(C)C)cc1 ZINC000788767792 625263264 /nfs/dbraw/zinc/26/32/64/625263264.db2.gz AQXZVQVTXBGMDA-SECBINFHSA-N 0 0 309.822 3.354 20 10 DGCDRN CCOC[C@@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000788834730 625278676 /nfs/dbraw/zinc/27/86/76/625278676.db2.gz YCHKGLAAEASJPN-RHSMWYFYSA-N 0 0 321.465 3.174 20 10 DGCDRN CC(C)[NH+](CCNCc1c([O-])ccc(Cl)c1F)C(C)C ZINC000790946492 625719392 /nfs/dbraw/zinc/71/93/92/625719392.db2.gz CFVDPLOYTFQBJT-UHFFFAOYSA-N 0 0 302.821 3.393 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCc1ccc2c(c1)CCO2 ZINC000790964238 625724572 /nfs/dbraw/zinc/72/45/72/625724572.db2.gz WLKCTYKRIBVBPA-UHFFFAOYSA-N 0 0 321.779 3.452 20 10 DGCDRN CCNc1cc(C)ccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000790977737 625727390 /nfs/dbraw/zinc/72/73/90/625727390.db2.gz ROBUVSSQNLOLDZ-TWGQIWQCSA-N 0 0 312.369 3.490 20 10 DGCDRN COC[C@@H](C)n1ccc(NCc2c(O)ccc(Cl)c2F)n1 ZINC000790988404 625731296 /nfs/dbraw/zinc/73/12/96/625731296.db2.gz OYDFDBLYVHDXCY-SECBINFHSA-N 0 0 313.760 3.201 20 10 DGCDRN O=C(c1cccc(O)c1O)N(Cc1c(F)cccc1F)C1CC1 ZINC000791027448 625741798 /nfs/dbraw/zinc/74/17/98/625741798.db2.gz SFNKNJZVBUDNNZ-UHFFFAOYSA-N 0 0 319.307 3.181 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1c[nH]c2cccnc12 ZINC000791218659 625764084 /nfs/dbraw/zinc/76/40/84/625764084.db2.gz JVNDKRGUSZCORZ-UHFFFAOYSA-N 0 0 309.369 3.321 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)OCc2ncccn2)cc1 ZINC000791292620 625771811 /nfs/dbraw/zinc/77/18/11/625771811.db2.gz WQDJAEYWBTVHSG-UHFFFAOYSA-N 0 0 307.353 3.241 20 10 DGCDRN Cc1cc(-n2ccnc2)ccc1COC(=O)C1=CC(=O)CS1 ZINC000791380817 625787866 /nfs/dbraw/zinc/78/78/66/625787866.db2.gz CHWMNMZKOFBLRB-UHFFFAOYSA-N 0 0 314.366 3.305 20 10 DGCDRN C[C@H](Cc1ccccc1F)C(=O)N(C)Cc1ccccc1O ZINC000130525180 625867669 /nfs/dbraw/zinc/86/76/69/625867669.db2.gz NGOKDUQPMWHFCR-CYBMUJFWSA-N 0 0 301.361 3.369 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)C2CCC(O)CC2)cc1 ZINC000792034332 625902478 /nfs/dbraw/zinc/90/24/78/625902478.db2.gz FMWJFOZPVWYYFF-UHFFFAOYSA-N 0 0 318.461 3.042 20 10 DGCDRN CN1CCCc2cc(CNC(=O)NCCC3(C)CC3)ccc21 ZINC000792057341 625905662 /nfs/dbraw/zinc/90/56/62/625905662.db2.gz BRBSDLBLRFOXQO-UHFFFAOYSA-N 0 0 301.434 3.058 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2[C@@H](C)C[C@@H]2C)cc1F ZINC000792079280 625907724 /nfs/dbraw/zinc/90/77/24/625907724.db2.gz IYMPVRZKZLJVSL-STQMWFEESA-N 0 0 307.413 3.364 20 10 DGCDRN C[C@H](O)C[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000883041394 625908232 /nfs/dbraw/zinc/90/82/32/625908232.db2.gz LDUYVTKOAIICJY-GXTWGEPZSA-N 0 0 321.367 3.315 20 10 DGCDRN CC(C)C[C@@H](C)NC(=O)NCCCSc1nccs1 ZINC000130867952 625912147 /nfs/dbraw/zinc/91/21/47/625912147.db2.gz OBEOHBVIOXKGJW-LLVKDONJSA-N 0 0 301.481 3.359 20 10 DGCDRN Oc1c(F)cc(F)cc1CNc1cccc2c1OCC[C@H]2O ZINC000883088303 625923409 /nfs/dbraw/zinc/92/34/09/625923409.db2.gz AHPHDQQDYOJTRB-CQSZACIVSA-N 0 0 307.296 3.098 20 10 DGCDRN CCOC(=O)C1(C[NH2+]Cc2cccc(Cl)c2[O-])CCCC1 ZINC000792195397 625923772 /nfs/dbraw/zinc/92/37/72/625923772.db2.gz MCHWHZJGGAQSRJ-UHFFFAOYSA-N 0 0 311.809 3.259 20 10 DGCDRN CC(C)(NCc1cc(Br)cc(F)c1[O-])C(F)F ZINC000883106853 625929420 /nfs/dbraw/zinc/92/94/20/625929420.db2.gz GVHOYIQQJRAURB-UHFFFAOYSA-N 0 0 312.129 3.427 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CCO[C@H](c2ccncc2)C1 ZINC000883136083 625939642 /nfs/dbraw/zinc/93/96/42/625939642.db2.gz ULTGOXJRTQYQMS-HOCLYGCPSA-N 0 0 320.339 3.075 20 10 DGCDRN C[C@@]1(c2ccc(F)cc2)CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000796511138 626057372 /nfs/dbraw/zinc/05/73/72/626057372.db2.gz QLYGCHBFWVQFIU-MRXNPFEDSA-N 0 0 305.374 3.397 20 10 DGCDRN Cc1cc2cc(C[NH2+]Cc3cc([N+](=O)[O-])ccc3[O-])ccc2[nH]1 ZINC000796528011 626059273 /nfs/dbraw/zinc/05/92/73/626059273.db2.gz NMOBJTSPRAZFGW-UHFFFAOYSA-N 0 0 311.341 3.380 20 10 DGCDRN CC[C@H]([NH2+]C[C@H]1COc2ccccc2O1)c1ccc(F)cc1[O-] ZINC000796665701 626071533 /nfs/dbraw/zinc/07/15/33/626071533.db2.gz KONHLIJPNJECLI-ZFWWWQNUSA-N 0 0 317.360 3.412 20 10 DGCDRN CC[C@H]([NH2+]C[C@H]1CSCCS1)c1ccc(F)cc1[O-] ZINC000796792327 626083634 /nfs/dbraw/zinc/08/36/34/626083634.db2.gz GSNGEZHYDYMVES-AAEUAGOBSA-N 0 0 301.452 3.421 20 10 DGCDRN CC[C@H]([NH2+][C@H](CO)c1cccc(F)c1)c1ccc(F)cc1[O-] ZINC000796819443 626086423 /nfs/dbraw/zinc/08/64/23/626086423.db2.gz XNGJNFIXYZURFW-JKSUJKDBSA-N 0 0 307.340 3.445 20 10 DGCDRN CC[C@H](C)CCC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000797075034 626110281 /nfs/dbraw/zinc/11/02/81/626110281.db2.gz SFEHLWUPZLUWAW-AWEZNQCLSA-N 0 0 322.424 3.309 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000797190963 626124114 /nfs/dbraw/zinc/12/41/14/626124114.db2.gz SIDRNSLTQMVOFQ-CMPLNLGQSA-N 0 0 301.308 3.329 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1nc(CC)oc1C ZINC000797195258 626125028 /nfs/dbraw/zinc/12/50/28/626125028.db2.gz WTWPIKMPQVMCRN-UHFFFAOYSA-N 0 0 302.374 3.303 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NC[C@@H]2CCC[C@H](C)[C@H]2C)c1 ZINC000797458519 626144355 /nfs/dbraw/zinc/14/43/55/626144355.db2.gz NCGVOTJBXBGOET-MJBXVCDLSA-N 0 0 320.433 3.272 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCC(F)(F)C2)c1 ZINC000797586977 626155846 /nfs/dbraw/zinc/15/58/46/626155846.db2.gz OJFJRTZIXDJXBI-WDEREUQCSA-N 0 0 313.344 3.265 20 10 DGCDRN CCc1ccc(NC(=O)NCc2ccc(OC)cc2O)cc1F ZINC000797637443 626161280 /nfs/dbraw/zinc/16/12/80/626161280.db2.gz SLCUJDPPBFMUFB-UHFFFAOYSA-N 0 0 318.348 3.424 20 10 DGCDRN CCCN(CCC)C(=O)CN1CCCc2cc(OC)ccc21 ZINC000797719726 626165761 /nfs/dbraw/zinc/16/57/61/626165761.db2.gz QQMMRWVTTJUFOD-UHFFFAOYSA-N 0 0 304.434 3.096 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC(C)(C)C(F)(F)F ZINC000797751150 626167138 /nfs/dbraw/zinc/16/71/38/626167138.db2.gz RHKXSAPLKRSMNH-VIFPVBQESA-N 0 0 319.323 3.124 20 10 DGCDRN COc1ccc(CNC(=O)[C@@H]2[C@H](C)[C@H]2c2ccccc2)c(O)c1 ZINC000797762289 626167399 /nfs/dbraw/zinc/16/73/99/626167399.db2.gz WGWAYTDDPLYIPR-OCBCSQNSSA-N 0 0 311.381 3.067 20 10 DGCDRN Cc1cc(NCc2c(O)ccc(Cl)c2F)ccc1C(N)=O ZINC000798085680 626192932 /nfs/dbraw/zinc/19/29/32/626192932.db2.gz UEUUMHDJKVNUFF-UHFFFAOYSA-N 0 0 308.740 3.204 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2F)c(C)n1-c1ccccn1 ZINC000839848649 626194149 /nfs/dbraw/zinc/19/41/49/626194149.db2.gz NDWUAXOEOKNNDT-HZPDHXFCSA-N 0 0 315.392 3.500 20 10 DGCDRN CCOc1ccc([C@@H]2C[C@H]2NC(=O)C2=CC(=O)CS2)cc1 ZINC000798121703 626195229 /nfs/dbraw/zinc/19/52/29/626195229.db2.gz DMENPBBYJXXYJQ-UONOGXRCSA-N 0 0 303.383 3.138 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2c(F)ccc(O)c2F)cc1 ZINC000798152681 626197500 /nfs/dbraw/zinc/19/75/00/626197500.db2.gz CLSMTQCNDQWFAX-UHFFFAOYSA-N 0 0 320.339 3.009 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)/C(F)=C\C1CCCCC1 ZINC000798176098 626199588 /nfs/dbraw/zinc/19/95/88/626199588.db2.gz YDOACWDTZVJYNF-GXDHUFHOSA-N 0 0 307.365 3.190 20 10 DGCDRN COc1cccc(CNc2nc3c(cccc3F)n2C)c1O ZINC000798391484 626214785 /nfs/dbraw/zinc/21/47/85/626214785.db2.gz FWVKMSOJKDDDFN-UHFFFAOYSA-N 0 0 301.321 3.039 20 10 DGCDRN CCCc1occc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000798413701 626216536 /nfs/dbraw/zinc/21/65/36/626216536.db2.gz WCIGREDYOWWAOM-UHFFFAOYSA-N 0 0 304.365 3.367 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CCC[C@@H]1C ZINC000798416748 626216953 /nfs/dbraw/zinc/21/69/53/626216953.db2.gz PTJUFQWUQSJKSH-ZFWWWQNUSA-N 0 0 303.450 3.296 20 10 DGCDRN COc1ccc(N(Cc2cnc(OC)nc2C)C(C)C)cc1F ZINC000799130325 626275601 /nfs/dbraw/zinc/27/56/01/626275601.db2.gz CZOPRTUIICEAEZ-UHFFFAOYSA-N 0 0 319.380 3.356 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C2CCC(C(F)F)CC2)c1 ZINC000799717439 626324134 /nfs/dbraw/zinc/32/41/34/626324134.db2.gz FGULEIIIJVIMST-UHFFFAOYSA-N 0 0 300.305 3.214 20 10 DGCDRN Cn1c(=O)[nH]c2ccc(NCc3c(O)ccc(Cl)c3F)cc21 ZINC000799740461 626327017 /nfs/dbraw/zinc/32/70/17/626327017.db2.gz ONQVDQWSHQIREL-UHFFFAOYSA-N 0 0 321.739 3.389 20 10 DGCDRN CCCC[C@@H](C)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000800333270 626352231 /nfs/dbraw/zinc/35/22/31/626352231.db2.gz QQLLRRRMMFHXGQ-CQSZACIVSA-N 0 0 322.424 3.309 20 10 DGCDRN CC(=O)CCC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000800397371 626356402 /nfs/dbraw/zinc/35/64/02/626356402.db2.gz QXLATMXRKRKUJG-UHFFFAOYSA-N 0 0 312.413 3.122 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CC[C@@H]1CCCO1 ZINC000839914813 626370076 /nfs/dbraw/zinc/37/00/76/626370076.db2.gz BWFSJILERMIOLJ-QAPCUYQASA-N 0 0 318.461 3.067 20 10 DGCDRN Cc1ccoc1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839915857 626370546 /nfs/dbraw/zinc/37/05/46/626370546.db2.gz LVDOKCOJBHDREE-CQSZACIVSA-N 0 0 300.402 3.323 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCCc1cccc2[nH]ccc21 ZINC000800743044 626373405 /nfs/dbraw/zinc/37/34/05/626373405.db2.gz BXSJYWWTKUVVQN-UHFFFAOYSA-N 0 0 323.396 3.258 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1=CC(=O)CS1 ZINC000839920033 626373410 /nfs/dbraw/zinc/37/34/10/626373410.db2.gz ZURLCBNVGUCKFY-LBPRGKRZSA-N 0 0 318.442 3.189 20 10 DGCDRN CO[C@@H](C)c1nsc(NCc2ccc(N3CCCC3)cc2)n1 ZINC000800847275 626379038 /nfs/dbraw/zinc/37/90/38/626379038.db2.gz WEUKFHKQHNZLMG-LBPRGKRZSA-N 0 0 318.446 3.458 20 10 DGCDRN CO[C@H](C)c1nsc(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000800848471 626379273 /nfs/dbraw/zinc/37/92/73/626379273.db2.gz PLFJRJAASRMBDC-SECBINFHSA-N 0 0 310.398 3.063 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1O[C@H](C)C[C@H]1C ZINC000801549368 626409221 /nfs/dbraw/zinc/40/92/21/626409221.db2.gz LPNSAGIFRNINAG-CKEIUWERSA-N 0 0 305.418 3.334 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCOC[C@@H]1C ZINC000801549472 626409252 /nfs/dbraw/zinc/40/92/52/626409252.db2.gz PGPFJLRRRWFLFZ-HOCLYGCPSA-N 0 0 305.418 3.194 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)CCn1cccc1 ZINC000801549879 626409583 /nfs/dbraw/zinc/40/95/83/626409583.db2.gz DXKDMIQBYLAEAN-UHFFFAOYSA-N 0 0 300.402 3.413 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1ccnnc1C ZINC000801709407 626415648 /nfs/dbraw/zinc/41/56/48/626415648.db2.gz OWQULNJQUOSBDB-UHFFFAOYSA-N 0 0 314.389 3.325 20 10 DGCDRN Cc1cc(C(=O)Nc2nnn(C)c2C)c(C)n1-c1ccccc1C ZINC000839942667 626416114 /nfs/dbraw/zinc/41/61/14/626416114.db2.gz JMDJSLFVMHSKKD-UHFFFAOYSA-N 0 0 323.400 3.092 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CSC2(C)C)cc1 ZINC000801745447 626416941 /nfs/dbraw/zinc/41/69/41/626416941.db2.gz JOAANDNGUVURHV-HNNXBMFYSA-N 0 0 321.490 3.226 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCCCCOC ZINC000801983127 626428619 /nfs/dbraw/zinc/42/86/19/626428619.db2.gz FSIRANJOJXHDOA-UHFFFAOYSA-N 0 0 308.422 3.131 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCC1(OC)CCC1 ZINC000802285501 626557821 /nfs/dbraw/zinc/55/78/21/626557821.db2.gz HLHADDIHBXITJE-UHFFFAOYSA-N 0 0 320.433 3.273 20 10 DGCDRN COc1cc2c(cc1F)CC[C@H]2NC(=O)C1=CC(=O)CS1 ZINC000802659613 626565853 /nfs/dbraw/zinc/56/58/53/626565853.db2.gz XDTRKFMXTNLFCB-GFCCVEGCSA-N 0 0 307.346 3.019 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc[nH]c2C(C)C)c1 ZINC000802782327 626571503 /nfs/dbraw/zinc/57/15/03/626571503.db2.gz SCUIIRJXZYPJSK-LLVKDONJSA-N 0 0 302.374 3.343 20 10 DGCDRN COc1cccc(CNC(=O)c2ccc3nccc(C)c3c2)c1O ZINC000802781712 626571506 /nfs/dbraw/zinc/57/15/06/626571506.db2.gz DSMCZHXIQWUOAR-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN CC[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@@H](O)c1ccccc1 ZINC000883203704 626607749 /nfs/dbraw/zinc/60/77/49/626607749.db2.gz JJIUJPQTYSDDNW-RDJZCZTQSA-N 0 0 307.340 3.272 20 10 DGCDRN COc1cccc(CNC(=O)C(C)(C)c2ccc(F)cc2)c1O ZINC000131292320 626622458 /nfs/dbraw/zinc/62/24/58/626622458.db2.gz IZBDCNSDLMEPGQ-UHFFFAOYSA-N 0 0 317.360 3.134 20 10 DGCDRN CCC(=O)N(C)c1ccc(NCc2cccc(OC)c2O)cc1 ZINC000883310433 626642313 /nfs/dbraw/zinc/64/23/13/626642313.db2.gz MRXCCVREIXAEJV-UHFFFAOYSA-N 0 0 314.385 3.386 20 10 DGCDRN O=C1[C@@H]2CCC[C@@H]2N1CN1CCCc2cc(OC(F)F)ccc21 ZINC000840034626 626664409 /nfs/dbraw/zinc/66/44/09/626664409.db2.gz DBECIDSPSSZXKV-HIFRSBDPSA-N 0 0 322.355 3.009 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2F)c1 ZINC000883382199 626667559 /nfs/dbraw/zinc/66/75/59/626667559.db2.gz BGBGYBDFZBFJDL-DOTOQJQBSA-N 0 0 316.332 3.416 20 10 DGCDRN CC(=O)c1cc(NCc2ccc(N(C)C)cc2)ccc1[N+](=O)[O-] ZINC000804330011 626669958 /nfs/dbraw/zinc/66/99/58/626669958.db2.gz HIAMYHRUOZBQCX-UHFFFAOYSA-N 0 0 313.357 3.476 20 10 DGCDRN CSc1cnc(NCc2ccc3c(c2)CCCN3C)nc1 ZINC000804392545 626675868 /nfs/dbraw/zinc/67/58/68/626675868.db2.gz OXBKGKWTOROLJD-UHFFFAOYSA-N 0 0 300.431 3.193 20 10 DGCDRN CN(C)c1ccc(CNc2nnc(-c3ccon3)s2)cc1F ZINC000804393174 626676015 /nfs/dbraw/zinc/67/60/15/626676015.db2.gz XAEYITCJDMMMLB-UHFFFAOYSA-N 0 0 319.365 3.010 20 10 DGCDRN C[NH+](C)C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000132200070 626705712 /nfs/dbraw/zinc/70/57/12/626705712.db2.gz UPPFZLDQXVCYHW-UHFFFAOYSA-N 0 0 303.233 3.225 20 10 DGCDRN COC(=O)c1sccc1CN(C)c1ccc(OC)cc1OC ZINC000132237974 626709129 /nfs/dbraw/zinc/70/91/29/626709129.db2.gz CXQXGTWUXHKEOZ-UHFFFAOYSA-N 0 0 321.398 3.188 20 10 DGCDRN CCC[C@@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccccn1 ZINC000806317581 626710085 /nfs/dbraw/zinc/71/00/85/626710085.db2.gz JVLIAFFBWMEREG-QGZVFWFLSA-N 0 0 311.429 3.348 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(C)nc(Cl)c2)c1 ZINC000132321253 626713909 /nfs/dbraw/zinc/71/39/09/626713909.db2.gz JIJKCRBLNVLIRR-JTQLQIEISA-N 0 0 320.776 3.249 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ncccc1F ZINC000132517668 626722607 /nfs/dbraw/zinc/72/26/07/626722607.db2.gz UPOTYEDATQYJAN-UHFFFAOYSA-N 0 0 317.364 3.048 20 10 DGCDRN CCN(CC)c1ccc(CNc2nnc(OC)s2)cc1F ZINC000806668997 626730017 /nfs/dbraw/zinc/73/00/17/626730017.db2.gz JCDRSKKFQCXDID-UHFFFAOYSA-N 0 0 310.398 3.144 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)CC(C)(C)C(=O)OCC ZINC000806734587 626731897 /nfs/dbraw/zinc/73/18/97/626731897.db2.gz AISBEEWDJWHHHW-UHFFFAOYSA-N 0 0 321.417 3.110 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC2(Cc3ccccc3)CC2)c1 ZINC000883751701 626737647 /nfs/dbraw/zinc/73/76/47/626737647.db2.gz SPGRMVZOCCIUHN-UHFFFAOYSA-N 0 0 310.397 3.275 20 10 DGCDRN C[C@@H](NC(=O)NC[C@@H]1CCCSC1)c1ccc(N(C)C)cc1 ZINC000807141359 626747295 /nfs/dbraw/zinc/74/72/95/626747295.db2.gz RTRISJMNAXXUMW-KGLIPLIRSA-N 0 0 321.490 3.256 20 10 DGCDRN C[C@@H]1C[C@H]1NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000807258952 626751862 /nfs/dbraw/zinc/75/18/62/626751862.db2.gz ASEXPHXKQCBQQW-RHSMWYFYSA-N 0 0 301.434 3.227 20 10 DGCDRN CC[C@H]1CCC[C@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000132990183 626757066 /nfs/dbraw/zinc/75/70/66/626757066.db2.gz MCKDXLWCCSJZPO-DOTOQJQBSA-N 0 0 303.450 3.473 20 10 DGCDRN Cn1ccnc1[C@H]1N(Cc2cc3c(cc2O)CCC3)CC1(C)C ZINC000840106781 626764201 /nfs/dbraw/zinc/76/42/01/626764201.db2.gz HOGAKQGQLKTSKL-QGZVFWFLSA-N 0 0 311.429 3.198 20 10 DGCDRN CC(C)Cn1ncc(NC(=O)C2=CC(=O)CS2)c1C1CC1 ZINC000807855774 626772372 /nfs/dbraw/zinc/77/23/72/626772372.db2.gz QSBZDIZHTWQEBC-UHFFFAOYSA-N 0 0 305.403 3.436 20 10 DGCDRN CC(=O)c1ccc([N+](=O)[O-])cc1NCc1ccc(N(C)C)cc1 ZINC000807918132 626777591 /nfs/dbraw/zinc/77/75/91/626777591.db2.gz JCRGKIROWCGFHP-UHFFFAOYSA-N 0 0 313.357 3.476 20 10 DGCDRN Cc1cc(C(=O)NN2CCCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000808010221 626787208 /nfs/dbraw/zinc/78/72/08/626787208.db2.gz OXYJNKSAZVAFSR-UHFFFAOYSA-N 0 0 317.820 3.488 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)C(F)F)cc1 ZINC000800108965 626808641 /nfs/dbraw/zinc/80/86/41/626808641.db2.gz LPUQZVXJVQHWRZ-UHFFFAOYSA-N 0 0 307.296 3.085 20 10 DGCDRN CCOCC(C)(C)CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000808291309 626813242 /nfs/dbraw/zinc/81/32/42/626813242.db2.gz ILYWNJPMCSHMBG-CQSZACIVSA-N 0 0 321.465 3.176 20 10 DGCDRN O=C(OCc1ccc(Cl)nc1Cl)c1cccc(O)c1O ZINC000800203333 626824640 /nfs/dbraw/zinc/82/46/40/626824640.db2.gz LLSLNRZQUMTSCW-UHFFFAOYSA-N 0 0 314.124 3.157 20 10 DGCDRN CC(=O)C(=O)COC(=O)Cc1coc2cc(C)c(C(C)C)cc12 ZINC000808489047 626832294 /nfs/dbraw/zinc/83/22/94/626832294.db2.gz ANJNRIRYOYZJRK-UHFFFAOYSA-N 0 0 316.353 3.108 20 10 DGCDRN CC(=O)C(=O)COC(=O)CCCCc1ccc(C(C)(C)C)cc1 ZINC000808513242 626834853 /nfs/dbraw/zinc/83/48/53/626834853.db2.gz YQMXFPMOAVMRIR-UHFFFAOYSA-N 0 0 318.413 3.398 20 10 DGCDRN CN(C(=O)C[C@H]1CCc2sccc2C1=O)c1ccc(N)cc1 ZINC000884441185 626880493 /nfs/dbraw/zinc/88/04/93/626880493.db2.gz BMMGYWOCSWMEKG-LLVKDONJSA-N 0 0 314.410 3.129 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cc[nH]c2C2CCC2)cc1F ZINC000809148812 626886794 /nfs/dbraw/zinc/88/67/94/626886794.db2.gz IBBSRZDXUIPCGQ-UHFFFAOYSA-N 0 0 315.392 3.417 20 10 DGCDRN Cc1ccc(N2C(=O)/C(=C/c3cnccn3)SC2=S)cc1 ZINC000809153610 626886926 /nfs/dbraw/zinc/88/69/26/626886926.db2.gz ZCFNMVRGRBORSG-JYRVWZFOSA-N 0 0 313.407 3.191 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1cc(F)ccc1Cl ZINC000134918024 626891345 /nfs/dbraw/zinc/89/13/45/626891345.db2.gz QDFKUDNCIDAIAS-UHFFFAOYSA-N 0 0 324.739 3.255 20 10 DGCDRN Oc1cccc2c1CN(c1cc(Cl)nc([C@H]3CCCO3)n1)C2 ZINC000884572647 626906885 /nfs/dbraw/zinc/90/68/85/626906885.db2.gz SDVJWYAQYHZXJP-CYBMUJFWSA-N 0 0 317.776 3.207 20 10 DGCDRN Oc1ccc2oc3c(c2c1CN1CCO[C@@H](CF)C1)CCCC3 ZINC000840172187 626907224 /nfs/dbraw/zinc/90/72/24/626907224.db2.gz NEBCRIKAAPXWST-LBPRGKRZSA-N 0 0 319.376 3.188 20 10 DGCDRN O=C(/C=C/c1ccc(Cl)nc1)N1CCOc2cc(F)ccc21 ZINC000135171372 626914376 /nfs/dbraw/zinc/91/43/76/626914376.db2.gz QJAOZYYKAFUQMJ-QHHAFSJGSA-N 0 0 318.735 3.313 20 10 DGCDRN COc1cccc(CN2C[C@H](C)CN(C)c3ccccc32)c1O ZINC000809665508 626934702 /nfs/dbraw/zinc/93/47/02/626934702.db2.gz VECOVSZUNWVASQ-CQSZACIVSA-N 0 0 312.413 3.493 20 10 DGCDRN C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1c([O-])ccc(Cl)c1F ZINC000809703680 626939195 /nfs/dbraw/zinc/93/91/95/626939195.db2.gz OIFZJOHYJQCPCE-VXGBXAGGSA-N 0 0 312.816 3.243 20 10 DGCDRN CCN(C)C(=O)c1cccc(NCc2cccc(F)c2O)c1 ZINC000809726081 626941705 /nfs/dbraw/zinc/94/17/05/626941705.db2.gz IDYKVVJBTYBZLN-UHFFFAOYSA-N 0 0 302.349 3.235 20 10 DGCDRN O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000809728621 626942735 /nfs/dbraw/zinc/94/27/35/626942735.db2.gz DBFMMZFBNGNKEA-ZDUSSCGKSA-N 0 0 322.767 3.453 20 10 DGCDRN COC(=O)c1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC000809733442 626942900 /nfs/dbraw/zinc/94/29/00/626942900.db2.gz WRFAJCWCRLLWEX-UHFFFAOYSA-N 0 0 323.751 3.261 20 10 DGCDRN CCCN(CCC)c1ccc(CNCc2nonc2C)cc1 ZINC000809744793 626945410 /nfs/dbraw/zinc/94/54/10/626945410.db2.gz DDLIUSXQGSONJX-UHFFFAOYSA-N 0 0 302.422 3.294 20 10 DGCDRN CCOC(=O)c1cc(NCc2cc(Cl)cc(C)c2O)cn1C ZINC000809756909 626947280 /nfs/dbraw/zinc/94/72/80/626947280.db2.gz VCGADBSDGBENOM-UHFFFAOYSA-N 0 0 322.792 3.481 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc(CO)o1 ZINC000809775411 626951266 /nfs/dbraw/zinc/95/12/66/626951266.db2.gz ASGSBFBQYBEQJT-UHFFFAOYSA-N 0 0 302.157 3.074 20 10 DGCDRN C[C@H]1CN(Cc2cc(F)ccc2O)c2ccccc2N(C)C1=O ZINC000809785845 626952962 /nfs/dbraw/zinc/95/29/62/626952962.db2.gz DUNUCVBRKLRZQC-LBPRGKRZSA-N 0 0 314.360 3.150 20 10 DGCDRN CN(C)c1ccc(OCc2csc(-c3cnn(C)c3)n2)cc1 ZINC000810000717 626967198 /nfs/dbraw/zinc/96/71/98/626967198.db2.gz KZNZPNBEWKNFTN-UHFFFAOYSA-N 0 0 314.414 3.189 20 10 DGCDRN COc1cc(F)c(F)cc1NCc1cc2c(cc1O)OCO2 ZINC000810165044 626983211 /nfs/dbraw/zinc/98/32/11/626983211.db2.gz TXQPBUIGPREPHG-UHFFFAOYSA-N 0 0 309.268 3.020 20 10 DGCDRN C[C@@H](NC(=O)Nc1ccn2ccnc2c1)c1ccc(N(C)C)cc1 ZINC000810229073 626990099 /nfs/dbraw/zinc/99/00/99/626990099.db2.gz RJBPJYOBQGPMTD-CYBMUJFWSA-N 0 0 323.400 3.283 20 10 DGCDRN CCCCN(C)C[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000810245060 626991738 /nfs/dbraw/zinc/99/17/38/626991738.db2.gz PAXWTPNVXVMLJS-VXGBXAGGSA-N 0 0 300.393 3.441 20 10 DGCDRN COCC[C@@H](COC)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000810258025 626993777 /nfs/dbraw/zinc/99/37/77/626993777.db2.gz XZXNVVJQFKYACQ-ZJUUUORDSA-N 0 0 322.232 3.401 20 10 DGCDRN COCC[C@H](COC)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000810256878 626993849 /nfs/dbraw/zinc/99/38/49/626993849.db2.gz IDXONKDRVZBQQP-VHSXEESVSA-N 0 0 322.232 3.401 20 10 DGCDRN COCC[C@H](COC)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000810256875 626993939 /nfs/dbraw/zinc/99/39/39/626993939.db2.gz IDXONKDRVZBQQP-NXEZZACHSA-N 0 0 322.232 3.401 20 10 DGCDRN CCO[C@H]1CCN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000885347923 627000493 /nfs/dbraw/zinc/00/04/93/627000493.db2.gz SSQADKVGGVWPDK-AWEZNQCLSA-N 0 0 318.442 3.407 20 10 DGCDRN COC(=O)c1cnc(SCCOCC2CCCC2)s1 ZINC000840210359 627048933 /nfs/dbraw/zinc/04/89/33/627048933.db2.gz XYOLKXKMIMDNOK-UHFFFAOYSA-N 0 0 301.433 3.229 20 10 DGCDRN COC(=O)[C@@H](NCc1ccc(N2CCCCC2)cc1)C(C)(C)C ZINC000136869711 627104170 /nfs/dbraw/zinc/10/41/70/627104170.db2.gz XGMZCVFTWBFOPP-QGZVFWFLSA-N 0 0 318.461 3.354 20 10 DGCDRN c1cc(N2CCCCC2)ccc1CNc1n[nH]c2c1COCC2 ZINC000886207413 627120898 /nfs/dbraw/zinc/12/08/98/627120898.db2.gz BNLYRAGPOCRQPH-UHFFFAOYSA-N 0 0 312.417 3.085 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2CCc3c2cccc3F)c1 ZINC000886364092 627143676 /nfs/dbraw/zinc/14/36/76/627143676.db2.gz OKVANCNHVYGEPX-OAHLLOKOSA-N 0 0 302.305 3.217 20 10 DGCDRN C[C@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1c([O-])cccc1F ZINC000886550436 627161303 /nfs/dbraw/zinc/16/13/03/627161303.db2.gz ZTVASUZNRBXMMG-XPTSAGLGSA-N 0 0 311.303 3.194 20 10 DGCDRN C[C@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1c([O-])cccc1F ZINC000886556938 627162939 /nfs/dbraw/zinc/16/29/39/627162939.db2.gz NOHHCYSUANTGTP-GTNSWQLSSA-N 0 0 307.340 3.229 20 10 DGCDRN C[C@@H]([NH2+]CCc1nn(C)c2ccccc12)c1c([O-])cccc1F ZINC000886594656 627169760 /nfs/dbraw/zinc/16/97/60/627169760.db2.gz REHCHZNFCMXBCX-GFCCVEGCSA-N 0 0 313.376 3.311 20 10 DGCDRN C[C@@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1c([O-])cccc1F ZINC000886649464 627180517 /nfs/dbraw/zinc/18/05/17/627180517.db2.gz BFVRFUQWVJRQCU-SECBINFHSA-N 0 0 317.286 3.097 20 10 DGCDRN CC[C@H]([NH2+][C@@H](CO)C[C@H]1CCCO1)c1cccc(Cl)c1[O-] ZINC000886670387 627185671 /nfs/dbraw/zinc/18/56/71/627185671.db2.gz NWTLAAHDIXNGIK-JMSVASOKSA-N 0 0 313.825 3.016 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)[C@@H]2C)O1)c1ccc(F)cc1[O-] ZINC000886771734 627202947 /nfs/dbraw/zinc/20/29/47/627202947.db2.gz MQANDXYOKKCDJF-FRTWLMODSA-N 0 0 323.408 3.155 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NCc2c(C)cccc2C)c1 ZINC000140595171 627240534 /nfs/dbraw/zinc/24/05/34/627240534.db2.gz UVRIJLBGHCLHOM-UHFFFAOYSA-N 0 0 314.385 3.017 20 10 DGCDRN Nc1ccc(OCc2cn(CC[C@@H]3CCCC3(F)F)nn2)cc1 ZINC000887425484 627260851 /nfs/dbraw/zinc/26/08/51/627260851.db2.gz YVQTWGYVHNZZMH-LBPRGKRZSA-N 0 0 322.359 3.265 20 10 DGCDRN COc1ncc(Cl)c(NCc2c(O)ccc3c2CCCC3)n1 ZINC000811808283 627324031 /nfs/dbraw/zinc/32/40/31/627324031.db2.gz BYTURTBJALRHDY-UHFFFAOYSA-N 0 0 319.792 3.335 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)[C@@H](C)COC ZINC000812455044 627388013 /nfs/dbraw/zinc/38/80/13/627388013.db2.gz VPQPZMLSKQRALA-LSDHHAIUSA-N 0 0 306.450 3.020 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@](C)(OC)C2CC2)cc1 ZINC000812453883 627388265 /nfs/dbraw/zinc/38/82/65/627388265.db2.gz WRQOLLSXAYDENP-IBGZPJMESA-N 0 0 318.461 3.306 20 10 DGCDRN CO[C@](C)(C(=O)NCc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000812486083 627391442 /nfs/dbraw/zinc/39/14/42/627391442.db2.gz CYJCWGKODJZBQU-IBGZPJMESA-N 0 0 316.445 3.108 20 10 DGCDRN Cc1cc(C(=O)OC[C@H](C)[N+](=O)[O-])c(C)n1-c1ccc(F)cc1 ZINC000813108572 627450544 /nfs/dbraw/zinc/45/05/44/627450544.db2.gz HQJDIYIQCJPSCQ-NSHDSACASA-N 0 0 320.320 3.055 20 10 DGCDRN C[C@H](NC(=O)[C@H]1CCOC2(CCC2)C1)c1ccc(N(C)C)cc1 ZINC000890030496 627495343 /nfs/dbraw/zinc/49/53/43/627495343.db2.gz FJQPYXCJIZUGIB-HOCLYGCPSA-N 0 0 316.445 3.279 20 10 DGCDRN Cc1nc(C)c(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000890030256 627495421 /nfs/dbraw/zinc/49/54/21/627495421.db2.gz BCPPXQHNMRHANX-LLVKDONJSA-N 0 0 317.458 3.246 20 10 DGCDRN C[C@H](NC(=O)C[C@@H]1CC(C)(C)CO1)c1ccc(N(C)C)cc1 ZINC000890031579 627495532 /nfs/dbraw/zinc/49/55/32/627495532.db2.gz ZCZJMDPYTQURPG-XJKSGUPXSA-N 0 0 304.434 3.135 20 10 DGCDRN Cc1c[nH]nc1NC(=O)c1sccc1-n1c(C)ccc1C ZINC000813538557 627496592 /nfs/dbraw/zinc/49/65/92/627496592.db2.gz FTZMMOGFHQAWCR-UHFFFAOYSA-N 0 0 300.387 3.439 20 10 DGCDRN CC[C@H]([NH2+]C1COCCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000813878718 627518124 /nfs/dbraw/zinc/51/81/24/627518124.db2.gz FQDJOENIRHCMEU-LBPRGKRZSA-N 0 0 320.216 3.155 20 10 DGCDRN C[C@@H]1CC(C)(C)CN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000840303844 627519832 /nfs/dbraw/zinc/51/98/32/627519832.db2.gz DQWDAGBMZRZARB-OAHLLOKOSA-N 0 0 313.445 3.393 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1C[C@H]1c1ccco1 ZINC000840305264 627522497 /nfs/dbraw/zinc/52/24/97/627522497.db2.gz PTMQJEWGEMOFBG-IAGOWNOFSA-N 0 0 323.396 3.011 20 10 DGCDRN CCOc1cccc(/C=C2/SC(=S)N(C3CCC3)C2=O)n1 ZINC000814186079 627547837 /nfs/dbraw/zinc/54/78/37/627547837.db2.gz VKVNAOMQYWGFKK-FMIVXFBMSA-N 0 0 320.439 3.234 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2nc(C)oc2C)cc1 ZINC000814259576 627555597 /nfs/dbraw/zinc/55/55/97/627555597.db2.gz SEJTXOBHXOLVQC-UHFFFAOYSA-N 0 0 315.417 3.410 20 10 DGCDRN CO[C@@H]1CCC[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000814405514 627563081 /nfs/dbraw/zinc/56/30/81/627563081.db2.gz MRWNQDUVFKMNKD-SJLPKXTDSA-N 0 0 316.445 3.108 20 10 DGCDRN CC(=O)C1(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000814831218 627596181 /nfs/dbraw/zinc/59/61/81/627596181.db2.gz SDSMYKIMDULYFT-UHFFFAOYSA-N 0 0 324.424 3.122 20 10 DGCDRN Cc1nc([C@@H]2CCCCN2Cc2ccc(N(C)C)c(C)c2)no1 ZINC000815018763 627617052 /nfs/dbraw/zinc/61/70/52/627617052.db2.gz ANBVPWAHFCELDQ-KRWDZBQOSA-N 0 0 314.433 3.480 20 10 DGCDRN CCOc1ccc(N(C)C[C@H](O)Cc2ccc(F)cc2)cc1 ZINC000815052539 627619446 /nfs/dbraw/zinc/61/94/46/627619446.db2.gz RWQRFBCAWGKFOW-QGZVFWFLSA-N 0 0 303.377 3.264 20 10 DGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cc(F)c[nH]1 ZINC000815135050 627634933 /nfs/dbraw/zinc/63/49/33/627634933.db2.gz HXSBUTULTFAPIN-UHFFFAOYSA-N 0 0 301.365 3.074 20 10 DGCDRN COCc1ccc(COC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000815222085 627646753 /nfs/dbraw/zinc/64/67/53/627646753.db2.gz LWAUOORGHAVMAW-CLFYSBASSA-N 0 0 314.337 3.001 20 10 DGCDRN C[C@H](Cn1ccnc1)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815558675 627684705 /nfs/dbraw/zinc/68/47/05/627684705.db2.gz KTIVULZTFOEDJG-MNOVXSKESA-N 0 0 313.323 3.347 20 10 DGCDRN Cc1cc(C)c([C@@H](C)Nc2ccc3c(c2)C(=O)NCC3)c(O)c1 ZINC000815613101 627690923 /nfs/dbraw/zinc/69/09/23/627690923.db2.gz GGVZSPYXRNZSBP-CYBMUJFWSA-N 0 0 310.397 3.468 20 10 DGCDRN C[C@H](Nc1ccc(F)c(NC(N)=O)c1)c1cc(F)ccc1O ZINC000815631694 627693029 /nfs/dbraw/zinc/69/30/29/627693029.db2.gz NVAWKRXRYQZANF-QMMMGPOBSA-N 0 0 307.300 3.334 20 10 DGCDRN Cc1c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)ccn1C(C)C ZINC000816028793 627728247 /nfs/dbraw/zinc/72/82/47/627728247.db2.gz OJXDDYKVDNFGDJ-LBPRGKRZSA-N 0 0 316.401 3.150 20 10 DGCDRN Cc1cc(C(=O)OCCCc2cn[nH]c2)c(C)n1-c1ccccn1 ZINC000816160678 627747470 /nfs/dbraw/zinc/74/74/70/627747470.db2.gz NJFIVMDNEVWWRC-UHFFFAOYSA-N 0 0 324.384 3.002 20 10 DGCDRN CCc1nc(C)c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000816180706 627749836 /nfs/dbraw/zinc/74/98/36/627749836.db2.gz YZLMZRBDTKEVFJ-NSHDSACASA-N 0 0 301.390 3.102 20 10 DGCDRN COC(=O)CC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])CC(C)C ZINC000816492457 627796231 /nfs/dbraw/zinc/79/62/31/627796231.db2.gz SUYPDTCPUIWARU-UHFFFAOYSA-N 0 0 317.788 3.206 20 10 DGCDRN NC(=O)Cc1ccc(NCc2ccc3ccccc3c2O)cc1 ZINC000816522806 627802287 /nfs/dbraw/zinc/80/22/87/627802287.db2.gz OTYOROULCLHAQY-UHFFFAOYSA-N 0 0 306.365 3.185 20 10 DGCDRN C[C@H](CN1CCCCC1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816534729 627802930 /nfs/dbraw/zinc/80/29/30/627802930.db2.gz SFJIUZWKUQNSQN-LLVKDONJSA-N 0 0 300.805 3.149 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCN1CCCCCC1 ZINC000816532619 627803270 /nfs/dbraw/zinc/80/32/70/627803270.db2.gz OUQPYWPYLYJHER-UHFFFAOYSA-N 0 0 300.805 3.150 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1COc2ccccc2C1 ZINC000816541834 627804305 /nfs/dbraw/zinc/80/43/05/627804305.db2.gz VWXDNMFUVCYWCY-LBPRGKRZSA-N 0 0 307.752 3.278 20 10 DGCDRN C[C@](CO)([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccccc1 ZINC000816550076 627805559 /nfs/dbraw/zinc/80/55/59/627805559.db2.gz HTIVMHFHGJKBFE-MRXNPFEDSA-N 0 0 309.768 3.182 20 10 DGCDRN O=C1NCCc2ccc(NCc3ccc4ccccc4c3O)cc21 ZINC000816563670 627808433 /nfs/dbraw/zinc/80/84/33/627808433.db2.gz GJSLIOWIZSQHOW-UHFFFAOYSA-N 0 0 318.376 3.443 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000816613094 627814836 /nfs/dbraw/zinc/81/48/36/627814836.db2.gz IUSYAKAVDJIUML-LLVKDONJSA-N 0 0 307.752 3.451 20 10 DGCDRN Oc1c(F)cccc1CN1Cc2cnn(-c3ccccc3)c2C1 ZINC000816668217 627823404 /nfs/dbraw/zinc/82/34/04/627823404.db2.gz IVFJERUSYNRULP-UHFFFAOYSA-N 0 0 309.344 3.233 20 10 DGCDRN Cc1ccc(O)c(CN2Cc3cnn(-c4ccccc4)c3C2)c1 ZINC000816668663 627823692 /nfs/dbraw/zinc/82/36/92/627823692.db2.gz UQYXRRKGGJXMPC-UHFFFAOYSA-N 0 0 305.381 3.402 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCc2cccnc21 ZINC000816866649 627836641 /nfs/dbraw/zinc/83/66/41/627836641.db2.gz ULDCKSALJQOJBG-GOSISDBHSA-N 0 0 321.424 3.028 20 10 DGCDRN Cc1ccc(C(=O)NC[C@@H](c2ccccc2)C2CC2)c(O)c1O ZINC000817090115 627852805 /nfs/dbraw/zinc/85/28/05/627852805.db2.gz ZYMXQANTCCIZLM-INIZCTEOSA-N 0 0 311.381 3.330 20 10 DGCDRN Cc1cc(C(=O)NC2(CCO)CC2)c(C)n1-c1cccc(C)c1 ZINC000817138294 627858858 /nfs/dbraw/zinc/85/88/58/627858858.db2.gz YLRIVHNPYKEJEO-UHFFFAOYSA-N 0 0 312.413 3.047 20 10 DGCDRN CCCNC(=O)COc1ccc(N2CCCCC2)c(Cl)c1 ZINC000817381669 627891880 /nfs/dbraw/zinc/89/18/80/627891880.db2.gz IVUDSMYHFKSZQS-UHFFFAOYSA-N 0 0 310.825 3.235 20 10 DGCDRN C[C@@H]1COCCN1c1ccc(NCc2cc(F)ccc2O)cc1 ZINC000817406506 627893838 /nfs/dbraw/zinc/89/38/38/627893838.db2.gz UKPOGXJGQQDKOD-CYBMUJFWSA-N 0 0 316.376 3.369 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CC[C@H](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000817415649 627896786 /nfs/dbraw/zinc/89/67/86/627896786.db2.gz WDOYKRIAQSCPSG-ZDUSSCGKSA-N 0 0 320.389 3.321 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H](C2CCCC2)C1 ZINC000817636849 627932135 /nfs/dbraw/zinc/93/21/35/627932135.db2.gz TZYPLKDCBOFVJW-VFADXPBXSA-N 0 0 301.386 3.150 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@H](C)c3cncnc3)cc12 ZINC000817760957 627947087 /nfs/dbraw/zinc/94/70/87/627947087.db2.gz GFRXPBBAATZCQC-GFCCVEGCSA-N 0 0 309.369 3.294 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)CCc3cncnc3)cc12 ZINC000817762338 627947428 /nfs/dbraw/zinc/94/74/28/627947428.db2.gz SOUNJUZTYODOLR-UHFFFAOYSA-N 0 0 309.369 3.123 20 10 DGCDRN O=C(c1c(F)ccc(O)c1O)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000817766748 627947664 /nfs/dbraw/zinc/94/76/64/627947664.db2.gz PAHVYSLASLJRRT-QMMMGPOBSA-N 0 0 321.270 3.042 20 10 DGCDRN Nc1ccc(Cc2nc(C(=O)NC3CCCCC3)cs2)cc1 ZINC000817903201 627957201 /nfs/dbraw/zinc/95/72/01/627957201.db2.gz JZWSRANZRPXYGC-UHFFFAOYSA-N 0 0 315.442 3.379 20 10 DGCDRN CCCN(CC)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817910653 627959670 /nfs/dbraw/zinc/95/96/70/627959670.db2.gz XOAWMGBPSUPOFT-UHFFFAOYSA-N 0 0 303.431 3.188 20 10 DGCDRN CC(C)CN(C)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817910520 627959673 /nfs/dbraw/zinc/95/96/73/627959673.db2.gz URTDHJHMBMJAGI-UHFFFAOYSA-N 0 0 303.431 3.044 20 10 DGCDRN CC[C@@H](C)CN(C)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817935025 627966843 /nfs/dbraw/zinc/96/68/43/627966843.db2.gz SYJUKRIZOPXDDY-GFCCVEGCSA-N 0 0 317.458 3.434 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](CN)C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817961223 627975616 /nfs/dbraw/zinc/97/56/16/627975616.db2.gz VOKZYOFCBJWJSA-NEPJUHHUSA-N 0 0 303.233 3.477 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1NCCc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000817972957 627980286 /nfs/dbraw/zinc/98/02/86/627980286.db2.gz ACDYAHKBPCIMKR-PIGZYNQJSA-N 0 0 318.367 3.208 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)c1c([O-])cccc1F ZINC000926922206 627982130 /nfs/dbraw/zinc/98/21/30/627982130.db2.gz IOQXFTMSTQSTTM-GHMZBOCLSA-N 0 0 320.330 3.209 20 10 DGCDRN COc1ccc(-n2c(C)cc(C(=O)NCC(C)(F)F)c2C)cc1 ZINC000818258028 628008556 /nfs/dbraw/zinc/00/85/56/628008556.db2.gz XIZPNUBNNZLYEE-UHFFFAOYSA-N 0 0 322.355 3.488 20 10 DGCDRN C[C@@H](Cc1ccccc1Cl)C(=O)NCCc1ccc(N)cc1 ZINC000818544764 628033512 /nfs/dbraw/zinc/03/35/12/628033512.db2.gz MUWJUDKRUKOLIN-ZDUSSCGKSA-N 0 0 316.832 3.460 20 10 DGCDRN COc1ccc(C2(C(=O)NCCc3ccc(N)cc3)CCC2)cc1 ZINC000818544826 628033571 /nfs/dbraw/zinc/03/35/71/628033571.db2.gz QZZDXHXBEQUNDH-UHFFFAOYSA-N 0 0 324.424 3.058 20 10 DGCDRN COc1ccc(C[C@@H](C)C(=O)Nc2ccc(N)cc2)cc1OC ZINC000818556249 628035307 /nfs/dbraw/zinc/03/53/07/628035307.db2.gz DVSMCMDBTJVQTB-GFCCVEGCSA-N 0 0 314.385 3.103 20 10 DGCDRN COc1ccc(CCCC(=O)Nc2ccc(N)cc2)c(OC)c1 ZINC000818556209 628035479 /nfs/dbraw/zinc/03/54/79/628035479.db2.gz AUESPBHZEUEGKN-UHFFFAOYSA-N 0 0 314.385 3.247 20 10 DGCDRN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2ccc(N)cc2)c1 ZINC000818556265 628035610 /nfs/dbraw/zinc/03/56/10/628035610.db2.gz GIYYMMMGHYNMJQ-GOEBONIOSA-N 0 0 312.369 3.028 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CC[C@@H]1C ZINC000840372445 628083427 /nfs/dbraw/zinc/08/34/27/628083427.db2.gz DOHWWRUTSODRJI-JDFRZJQESA-N 0 0 303.450 3.090 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NC[C@@H]1CC(C)(C)OC1(C)C ZINC000927616453 628083513 /nfs/dbraw/zinc/08/35/13/628083513.db2.gz SJLWSYDBDCNIET-AWEZNQCLSA-N 0 0 320.433 3.127 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000927625464 628084234 /nfs/dbraw/zinc/08/42/34/628084234.db2.gz CETZUVUYVGVWRZ-AWEZNQCLSA-N 0 0 320.433 3.094 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@]12C[C@H]1CCC2 ZINC000927697908 628091924 /nfs/dbraw/zinc/09/19/24/628091924.db2.gz POVPFRMUHAYJSD-APWZRJJASA-N 0 0 315.461 3.474 20 10 DGCDRN C[C@@H](NC(=O)C(F)=C1CCC1)c1ccc(N2CCOCC2)cc1 ZINC000819165961 628103716 /nfs/dbraw/zinc/10/37/16/628103716.db2.gz IRIWGKOJWSZUES-CYBMUJFWSA-N 0 0 318.392 3.108 20 10 DGCDRN CCOCc1cc(C[NH2+][C@H](C)[C@@H](C(=O)[O-])C(C)C)ccc1OC ZINC000819163511 628103941 /nfs/dbraw/zinc/10/39/41/628103941.db2.gz KINYDQJXTNPAPB-DYVFJYSZSA-N 0 0 323.433 3.067 20 10 DGCDRN CCCCC[C@@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819166374 628104145 /nfs/dbraw/zinc/10/41/45/628104145.db2.gz VPQAIYCCMNNJST-CYBMUJFWSA-N 0 0 304.390 3.125 20 10 DGCDRN CC[C@H]1CC[C@H](N2C(=O)CN(Cc3ccccc3O)C2=O)CC1 ZINC000819170145 628104984 /nfs/dbraw/zinc/10/49/84/628104984.db2.gz XCDVIKAJKCKTNW-CTYIDZIISA-N 0 0 316.401 3.125 20 10 DGCDRN C[C@H](CNc1ccc(Nc2ccccc2)cc1)S(C)(=O)=O ZINC000819396212 628147408 /nfs/dbraw/zinc/14/74/08/628147408.db2.gz ZUSUYYZPMWJWRZ-CYBMUJFWSA-N 0 0 304.415 3.275 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNC(=O)C[C@@H](C)C3CC3)C2)cc1 ZINC000819582094 628171473 /nfs/dbraw/zinc/17/14/73/628171473.db2.gz HQLDJOURHGBCPZ-CABCVRRESA-N 0 0 316.445 3.074 20 10 DGCDRN CC/C(C)=C(\C)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819586336 628171510 /nfs/dbraw/zinc/17/15/10/628171510.db2.gz NPLAGBOCSVNPTA-UTZKEFOASA-N 0 0 316.445 3.384 20 10 DGCDRN CCC(CC)CC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819584419 628171626 /nfs/dbraw/zinc/17/16/26/628171626.db2.gz JFOLKZVJMWLWNA-INIZCTEOSA-N 0 0 318.461 3.464 20 10 DGCDRN CCCC[C@H](C)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819591496 628172014 /nfs/dbraw/zinc/17/20/14/628172014.db2.gz SNSCOLOOUXAYCL-JKSUJKDBSA-N 0 0 318.461 3.464 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@@H](C)CC(C)C)C2)cc1 ZINC000819589006 628172148 /nfs/dbraw/zinc/17/21/48/628172148.db2.gz PTHQSSBJDWHDAS-JKSUJKDBSA-N 0 0 318.461 3.320 20 10 DGCDRN CC[C@H](C)CC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819589951 628172244 /nfs/dbraw/zinc/17/22/44/628172244.db2.gz UWIUFFBEHAKVGM-LSDHHAIUSA-N 0 0 304.434 3.074 20 10 DGCDRN CCC(CC)n1nc(C)cc1C(=O)NCc1c(O)cccc1F ZINC000928707138 628179650 /nfs/dbraw/zinc/17/96/50/628179650.db2.gz ATQKAQRVCOXGFY-UHFFFAOYSA-N 0 0 319.380 3.327 20 10 DGCDRN CCCCn1ncc(C(=O)NCc2c(O)cccc2F)c1CC ZINC000928709175 628180163 /nfs/dbraw/zinc/18/01/63/628180163.db2.gz XOIJQKXMIIPCJC-UHFFFAOYSA-N 0 0 319.380 3.020 20 10 DGCDRN CCOc1ccc(CCC(=O)NCc2c(O)cccc2F)cc1 ZINC000928711130 628180204 /nfs/dbraw/zinc/18/02/04/628180204.db2.gz DVOBRPWEUQHOEE-UHFFFAOYSA-N 0 0 317.360 3.179 20 10 DGCDRN CC[C@](O)(CC(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000840394527 628183385 /nfs/dbraw/zinc/18/33/85/628183385.db2.gz HCKBVXGMSIUDRV-IBGZPJMESA-N 0 0 313.397 3.039 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cnn(C2CCCC2)c1 ZINC000928793178 628189928 /nfs/dbraw/zinc/18/99/28/628189928.db2.gz KNRQPEXHBWRDAN-SOFGYWHQSA-N 0 0 313.357 3.061 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNc3nc(C)cnc3C)C2)cc1 ZINC000819935494 628201501 /nfs/dbraw/zinc/20/15/01/628201501.db2.gz MNRHVHUVICSJBT-HNNXBMFYSA-N 0 0 312.417 3.040 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2C3CCCC2CCC3)cc1 ZINC000820303563 628244765 /nfs/dbraw/zinc/24/47/65/628244765.db2.gz RTBFPGWXCHMYTQ-UHFFFAOYSA-N 0 0 300.362 3.396 20 10 DGCDRN Cc1cc(CC(=O)NCC(F)(F)F)c(C)n1-c1ccccc1 ZINC000820764797 628295961 /nfs/dbraw/zinc/29/59/61/628295961.db2.gz GWNBVOLAEULICT-UHFFFAOYSA-N 0 0 310.319 3.315 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCCC[C@H]2F)c1 ZINC000840442360 628350865 /nfs/dbraw/zinc/35/08/65/628350865.db2.gz XOBJHBCLQLDTTH-LERXQTSPSA-N 0 0 310.369 3.042 20 10 DGCDRN O=C([O-])C1CCC([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC000821504417 628377473 /nfs/dbraw/zinc/37/74/73/628377473.db2.gz WFAPKDVMKBRPKV-UHFFFAOYSA-N 0 0 302.418 3.020 20 10 DGCDRN C[C@@H]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC000821911707 628409817 /nfs/dbraw/zinc/40/98/17/628409817.db2.gz BYCAJZMUMWTZFC-GYSYKLTISA-N 0 0 302.378 3.404 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCCc1ccoc1 ZINC000822261575 628434105 /nfs/dbraw/zinc/43/41/05/628434105.db2.gz BWQVFFHDRXTBPB-UHFFFAOYSA-N 0 0 302.374 3.150 20 10 DGCDRN Cc1cnccc1/C=C\C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000822265059 628434417 /nfs/dbraw/zinc/43/44/17/628434417.db2.gz HYRIARJIVUTBSE-YFHOEESVSA-N 0 0 309.413 3.128 20 10 DGCDRN Cc1cnccc1/C=C/C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000822495368 628457625 /nfs/dbraw/zinc/45/76/25/628457625.db2.gz HAGRNEQEZWFHNQ-RMKNXTFCSA-N 0 0 321.424 3.320 20 10 DGCDRN CCCn1nccc1C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000822607759 628470372 /nfs/dbraw/zinc/47/03/72/628470372.db2.gz MSZGMJCVIGEDEN-UHFFFAOYSA-N 0 0 314.433 3.069 20 10 DGCDRN CC/C(C)=C\C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000822656072 628475676 /nfs/dbraw/zinc/47/56/76/628475676.db2.gz KBQLSENOYVDQLD-PFONDFGASA-N 0 0 302.418 3.090 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cnc(Cl)n1C ZINC000822757371 628490094 /nfs/dbraw/zinc/49/00/94/628490094.db2.gz YWPQMBYWKMRNGL-UHFFFAOYSA-N 0 0 321.808 3.222 20 10 DGCDRN CC[C@@H](CC(F)(F)F)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000822862604 628503961 /nfs/dbraw/zinc/50/39/61/628503961.db2.gz IPRFQRUULPVWAM-NSHDSACASA-N 0 0 320.330 3.487 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCC3(CCC3)CC2)cc1 ZINC000822890727 628506698 /nfs/dbraw/zinc/50/66/98/628506698.db2.gz OJHMQOWWKUVRRT-UHFFFAOYSA-N 0 0 300.362 3.255 20 10 DGCDRN CC(C)[C@H]1N(C(=O)c2ccc(N=NC(N)=O)cc2)CC12CCC2 ZINC000823090373 628525500 /nfs/dbraw/zinc/52/55/00/628525500.db2.gz OICRVOXPPWBBGD-CQSZACIVSA-N 0 0 314.389 3.500 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2C[C@H]2C2CCC2)cc1 ZINC000823776353 628595900 /nfs/dbraw/zinc/59/59/00/628595900.db2.gz NZHFGZWVZHPSKI-JSGCOSHPSA-N 0 0 300.362 3.015 20 10 DGCDRN Cc1cc(CNC(=O)Cc2cc(C)n(-c3ccccc3)c2C)on1 ZINC000823823445 628599367 /nfs/dbraw/zinc/59/93/67/628599367.db2.gz SCAQYWIGLKMKRQ-UHFFFAOYSA-N 0 0 323.396 3.249 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1ccnc(Cl)c1F ZINC000824171450 628634058 /nfs/dbraw/zinc/63/40/58/628634058.db2.gz CQVYNMYCLHESLZ-UHFFFAOYSA-N 0 0 321.783 3.339 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H](C)[C@@H]1CCCO1 ZINC000824234183 628641062 /nfs/dbraw/zinc/64/10/62/628641062.db2.gz FWPHLLHOZFEVRU-QAPCUYQASA-N 0 0 318.461 3.306 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[N@@H+](C(C)C)C2COC2)c1 ZINC000824472686 628663855 /nfs/dbraw/zinc/66/38/55/628663855.db2.gz XEMNBIIBNRRFQX-UHFFFAOYSA-N 0 0 314.223 3.072 20 10 DGCDRN Oc1ccccc1CN(Cc1ccco1)Cc1cnn2c1CCC2 ZINC000824474805 628663900 /nfs/dbraw/zinc/66/39/00/628663900.db2.gz UABXDSRCJVZESW-UHFFFAOYSA-N 0 0 323.396 3.330 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCCC1CCOCC1 ZINC000824477782 628664469 /nfs/dbraw/zinc/66/44/69/628664469.db2.gz XJWPMCJDVVQKLK-UHFFFAOYSA-N 0 0 301.789 3.481 20 10 DGCDRN CN(Cc1cscn1)Cc1ccc(Br)cc1O ZINC000824627628 628678928 /nfs/dbraw/zinc/67/89/28/628678928.db2.gz QWRBONHSCYYALO-UHFFFAOYSA-N 0 0 313.220 3.243 20 10 DGCDRN CSc1cc(C)c(C(=O)NCc2ccc(N(C)C)c(F)c2)o1 ZINC000824670207 628682498 /nfs/dbraw/zinc/68/24/98/628682498.db2.gz WFEMPGHRSNMPQV-UHFFFAOYSA-N 0 0 322.405 3.445 20 10 DGCDRN CS[C@@H]1CC[N@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000824683587 628683243 /nfs/dbraw/zinc/68/32/43/628683243.db2.gz RCWIXHLKKDIDSD-LLVKDONJSA-N 0 0 316.264 3.400 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3nccc4occc43)ccc21 ZINC000824682701 628683386 /nfs/dbraw/zinc/68/33/86/628683386.db2.gz JCTXYYTUCYCPMD-UHFFFAOYSA-N 0 0 321.380 3.140 20 10 DGCDRN COC(=O)C(C)(C)N(C)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000824689112 628683905 /nfs/dbraw/zinc/68/39/05/628683905.db2.gz KBQXUALOAJLQPC-UHFFFAOYSA-N 0 0 323.433 3.082 20 10 DGCDRN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H](CO)c1ccccc1 ZINC000824696745 628684621 /nfs/dbraw/zinc/68/46/21/628684621.db2.gz RJTQONOKUDDNNT-HNNXBMFYSA-N 0 0 309.768 3.350 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000824721719 628687748 /nfs/dbraw/zinc/68/77/48/628687748.db2.gz IFSFWLMHAOSDKQ-GDLCADMTSA-N 0 0 313.800 3.310 20 10 DGCDRN CCOc1ccc(N(CC)C(=O)/C=C(/C)c2cnccn2)cc1 ZINC000824815774 628697700 /nfs/dbraw/zinc/69/77/00/628697700.db2.gz ZDCMERZFXHETBV-OWBHPGMISA-N 0 0 311.385 3.332 20 10 DGCDRN COc1cc(CN2CCOCC23CCC3)c(O)c(C(C)(C)C)c1 ZINC000824828396 628698254 /nfs/dbraw/zinc/69/82/54/628698254.db2.gz ASSVUKXKSIDNLE-UHFFFAOYSA-N 0 0 319.445 3.453 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000824845090 628699379 /nfs/dbraw/zinc/69/93/79/628699379.db2.gz HNXBHQFEEQAMJC-WBMJQRKESA-N 0 0 313.800 3.071 20 10 DGCDRN Cc1cc(O)c(CN2CCO[C@@H](C(F)(F)F)C2)cc1Cl ZINC000824850738 628699898 /nfs/dbraw/zinc/69/98/98/628699898.db2.gz PNDQZOLQMMEDON-GFCCVEGCSA-N 0 0 309.715 3.117 20 10 DGCDRN CC[C@H](Nc1ccc(O[C@H]2CC(=O)N2)cc1)c1ccccc1O ZINC000825000053 628715561 /nfs/dbraw/zinc/71/55/61/628715561.db2.gz VLTHWRNTCUNHLO-YJBOKZPZSA-N 0 0 312.369 3.180 20 10 DGCDRN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])[C@H](CO)CC(C)(C)C ZINC000825041018 628720138 /nfs/dbraw/zinc/72/01/38/628720138.db2.gz YOQQZGJRSOATLO-LBPRGKRZSA-N 0 0 303.805 3.414 20 10 DGCDRN Oc1ccc(F)cc1CN1CCOC[C@H]1c1ccc(F)cc1 ZINC000825046083 628720557 /nfs/dbraw/zinc/72/05/57/628720557.db2.gz PUNXNEGBDYUKPQ-INIZCTEOSA-N 0 0 305.324 3.244 20 10 DGCDRN CC(C)OC(=O)[C@H](C)NCc1cc(-c2ccccc2)ccc1O ZINC000825118047 628730069 /nfs/dbraw/zinc/73/00/69/628730069.db2.gz OGRLIDNIFWCTFP-AWEZNQCLSA-N 0 0 313.397 3.489 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCN(C(=O)[O-])C1)c1ccc(N2CCCCC2)cc1 ZINC000825480286 628765745 /nfs/dbraw/zinc/76/57/45/628765745.db2.gz VPJMILZODCFCIV-GDBMZVCRSA-N 0 0 317.433 3.080 20 10 DGCDRN CCN(CCSC)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000825722383 628790789 /nfs/dbraw/zinc/79/07/89/628790789.db2.gz YAEOJSLQGQLGPF-UHFFFAOYSA-N 0 0 323.506 3.427 20 10 DGCDRN COC(=O)c1nccnc1Sc1ncc(C(C)(C)C)s1 ZINC000825832326 628801646 /nfs/dbraw/zinc/80/16/46/628801646.db2.gz NXOWOUOCZHRJLX-UHFFFAOYSA-N 0 0 309.416 3.168 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cncc(Cl)c1 ZINC000825872850 628805724 /nfs/dbraw/zinc/80/57/24/628805724.db2.gz CIEBJGSGYGMAFW-UHFFFAOYSA-N 0 0 303.793 3.039 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1nn(C)cc1C ZINC000826036368 628821929 /nfs/dbraw/zinc/82/19/29/628821929.db2.gz HJHXLAMNQLXBAV-UHFFFAOYSA-N 0 0 316.405 3.268 20 10 DGCDRN Cc1cc(C[NH2+]Cc2ccc(Br)cc2O)cc(C)n1 ZINC000826129908 628830169 /nfs/dbraw/zinc/83/01/69/628830169.db2.gz BMFQKJLIVXUNIL-UHFFFAOYSA-N 0 0 321.218 3.456 20 10 DGCDRN c1cc(COc2ccc(N3CCCC3)cc2)cc(-c2nn[nH]n2)c1 ZINC000826516425 628854220 /nfs/dbraw/zinc/85/42/20/628854220.db2.gz KPSZSBJZFLWSEO-UHFFFAOYSA-N 0 0 321.384 3.046 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CC[C@H](OC)C2)cc1F ZINC000826941432 628905594 /nfs/dbraw/zinc/90/55/94/628905594.db2.gz JHUDNLPNGBSWMC-CABCVRRESA-N 0 0 322.424 3.103 20 10 DGCDRN C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C(=O)C1=CC(=O)CS1 ZINC000827223500 628938542 /nfs/dbraw/zinc/93/85/42/628938542.db2.gz HXOFNELFBNMPJN-WQGACYEGSA-N 0 0 317.410 3.444 20 10 DGCDRN CCN(CC)CC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000827349420 628952106 /nfs/dbraw/zinc/95/21/06/628952106.db2.gz ILJAUTGXNQTHQQ-UHFFFAOYSA-N 0 0 303.381 3.153 20 10 DGCDRN Cc1csc(C2(NC(=O)C3=CC(=O)CS3)CCCC2)n1 ZINC000827463621 628961706 /nfs/dbraw/zinc/96/17/06/628961706.db2.gz YXTLONAZKPBBOU-UHFFFAOYSA-N 0 0 308.428 3.418 20 10 DGCDRN Cc1cccc(CN2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)c1O ZINC000827786749 628991056 /nfs/dbraw/zinc/99/10/56/628991056.db2.gz LKMPLEFQFWTQSZ-WCQYABFASA-N 0 0 303.324 3.242 20 10 DGCDRN C[C@@H](NC(=O)[C@H]1C[C@]12CCc1ccccc12)c1ccccc1O ZINC000827936927 629005445 /nfs/dbraw/zinc/00/54/45/629005445.db2.gz GVJBVTJWEPYDJL-DUXSXAKTSA-N 0 0 307.393 3.474 20 10 DGCDRN COc1cccc2c1[C@@H](C(=O)N[C@H](C)c1ccccc1O)CC2 ZINC000827946821 629006584 /nfs/dbraw/zinc/00/65/84/629006584.db2.gz SLFQZZCCWSLXKG-DOMZBBRYSA-N 0 0 311.381 3.308 20 10 DGCDRN Cc1nn(C(C)C)c(C)c1CC(=O)N[C@H](C)c1ccccc1O ZINC000827946392 629006689 /nfs/dbraw/zinc/00/66/89/629006689.db2.gz GRIOBBJLIFTPSJ-GFCCVEGCSA-N 0 0 315.417 3.206 20 10 DGCDRN C[C@@H](NC(=O)CCC[C@@H](O)c1ccccc1)c1ccccc1O ZINC000827952161 629007358 /nfs/dbraw/zinc/00/73/58/629007358.db2.gz HYGLDDJMBZBXPX-RHSMWYFYSA-N 0 0 313.397 3.473 20 10 DGCDRN CC1CCC(O)(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000827949279 629007363 /nfs/dbraw/zinc/00/73/63/629007363.db2.gz LSJPRBIGOQECBQ-UHFFFAOYSA-N 0 0 301.789 3.216 20 10 DGCDRN C[C@@H](NC(=O)[C@]1(C)CC(c2ccccc2)=NO1)c1ccccc1O ZINC000827952585 629007658 /nfs/dbraw/zinc/00/76/58/629007658.db2.gz XXYBEAJBPVEKAJ-YJYMSZOUSA-N 0 0 324.380 3.153 20 10 DGCDRN C[C@@H](NC(=O)c1cccc(N2CCCC2)c1)c1ccccc1O ZINC000827956896 629007761 /nfs/dbraw/zinc/00/77/61/629007761.db2.gz PYPYMALKIQHPNH-CQSZACIVSA-N 0 0 310.397 3.483 20 10 DGCDRN CC[C@@](O)(CC(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 ZINC000827960590 629008336 /nfs/dbraw/zinc/00/83/36/629008336.db2.gz RNGFOCCZDKADDF-IFXJQAMLSA-N 0 0 313.397 3.257 20 10 DGCDRN C[C@H](NC(=O)CCC[C@H](O)c1ccccc1)c1ccccc1O ZINC000827960047 629008380 /nfs/dbraw/zinc/00/83/80/629008380.db2.gz HYGLDDJMBZBXPX-YOEHRIQHSA-N 0 0 313.397 3.473 20 10 DGCDRN C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@](C)(C(F)F)O1 ZINC000827962087 629008854 /nfs/dbraw/zinc/00/88/54/629008854.db2.gz FSCPUMZUXPYIBU-BDJLRTHQSA-N 0 0 316.367 3.136 20 10 DGCDRN CCOc1ccc(O)c(CN2C[C@@H](C)O[C@](C)(C(F)F)C2)c1 ZINC000827962814 629008925 /nfs/dbraw/zinc/00/89/25/629008925.db2.gz UECNFNVPISEDAO-BZNIZROVSA-N 0 0 315.360 3.035 20 10 DGCDRN Cc1nn(C(C)(C)C)cc1C(=O)N[C@@H](C)c1ccccc1O ZINC000827969193 629009157 /nfs/dbraw/zinc/00/91/57/629009157.db2.gz JRIMPPVDNQQEMP-NSHDSACASA-N 0 0 301.390 3.143 20 10 DGCDRN Cc1ccc([C@@H](C)[C@@H](O)C(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000827969640 629009243 /nfs/dbraw/zinc/00/92/43/629009243.db2.gz QFNBNZCUQTWZIP-QWQRMKEZSA-N 0 0 313.397 3.042 20 10 DGCDRN C[C@H](NC(=O)[C@@H]1CCC(=O)c2ccccc21)c1ccccc1O ZINC000827964590 629009466 /nfs/dbraw/zinc/00/94/66/629009466.db2.gz RLPZBEAXXSCIAQ-BLLLJJGKSA-N 0 0 309.365 3.330 20 10 DGCDRN C[C@H](NC(=O)CCc1cccc(N(C)C)c1)c1ccccc1O ZINC000827970152 629010051 /nfs/dbraw/zinc/01/00/51/629010051.db2.gz XSPSOKGGRPYJCU-AWEZNQCLSA-N 0 0 312.413 3.268 20 10 DGCDRN C[C@H](C(=O)N[C@@H](C)c1ccccc1O)N1CCc2ccccc21 ZINC000827973357 629010545 /nfs/dbraw/zinc/01/05/45/629010545.db2.gz MJYMQNFATWYQQZ-UONOGXRCSA-N 0 0 310.397 3.021 20 10 DGCDRN COc1ccc(CCC(=O)N[C@@H](C)c2ccccc2O)cc1F ZINC000827981622 629011060 /nfs/dbraw/zinc/01/10/60/629011060.db2.gz BCJRCAJQVWJZIM-LBPRGKRZSA-N 0 0 317.360 3.350 20 10 DGCDRN C[C@H](NC(=O)CCC(=O)c1cccs1)c1ccccc1O ZINC000827984661 629011091 /nfs/dbraw/zinc/01/10/91/629011091.db2.gz CVYGEEXJIGRBGP-NSHDSACASA-N 0 0 303.383 3.294 20 10 DGCDRN CC(C)Oc1ccc(C(=O)N[C@@H](C)c2ccccc2O)cn1 ZINC000827981687 629011161 /nfs/dbraw/zinc/01/11/61/629011161.db2.gz FACVAMWZXUCQPV-LBPRGKRZSA-N 0 0 300.358 3.065 20 10 DGCDRN CCOc1ccccc1OCC(=O)N[C@@H](C)c1ccccc1O ZINC000827987018 629011881 /nfs/dbraw/zinc/01/18/81/629011881.db2.gz WUFXNBWFZYQKPM-ZDUSSCGKSA-N 0 0 315.369 3.047 20 10 DGCDRN CCN(Cc1nnc(C2CC2)s1)c1ccc(OC)c(OC)c1 ZINC000828162777 629029749 /nfs/dbraw/zinc/02/97/49/629029749.db2.gz NNHMNHUQIVOROA-UHFFFAOYSA-N 0 0 319.430 3.459 20 10 DGCDRN Cc1cc(CC(=O)N(C)c2cnn(C)c2)c(C)n1-c1ccccc1 ZINC000828523779 629062847 /nfs/dbraw/zinc/06/28/47/629062847.db2.gz UVUGXUUUCJGXHX-UHFFFAOYSA-N 0 0 322.412 3.033 20 10 DGCDRN C[C@@H](NC(=O)C[C@@H]1CC(=O)Nc2ccccc21)c1ccccc1O ZINC000828535107 629064068 /nfs/dbraw/zinc/06/40/68/629064068.db2.gz OQYLIPIJXGPYDO-CHWSQXEVSA-N 0 0 324.380 3.086 20 10 DGCDRN Cc1cc(C[N@@H+](C)[C@H](C)C[S@](C)=O)ccc1N1CCCCC1 ZINC000828785153 629092035 /nfs/dbraw/zinc/09/20/35/629092035.db2.gz CLMKNTQHTFUVHB-ZHRRBRCNSA-N 0 0 322.518 3.184 20 10 DGCDRN Cc1cc(C)c2c(c1)CN(C(=O)c1c(F)ccc(O)c1O)CC2 ZINC000828959571 629113846 /nfs/dbraw/zinc/11/38/46/629113846.db2.gz NIWZGNHGAJSINQ-UHFFFAOYSA-N 0 0 315.344 3.052 20 10 DGCDRN O=C1COc2cc([N+](=O)[O-])c(N3CCCCCCCC3)cc2N1 ZINC000829078221 629127108 /nfs/dbraw/zinc/12/71/08/629127108.db2.gz YVZYTHKULPBMMD-UHFFFAOYSA-N 0 0 319.361 3.086 20 10 DGCDRN CC(=O)CSCC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000829244193 629143954 /nfs/dbraw/zinc/14/39/54/629143954.db2.gz RRHRIXMPJBTFKY-UHFFFAOYSA-N 0 0 320.389 3.133 20 10 DGCDRN COC(=O)c1cnc(SCCCOc2ccccc2)s1 ZINC000829680629 629181904 /nfs/dbraw/zinc/18/19/04/629181904.db2.gz CBQVGSGRLCQKGO-UHFFFAOYSA-N 0 0 309.412 3.491 20 10 DGCDRN COc1ccc([C@@H]2C[C@H]2C(=O)N(C)Cc2ccccc2O)cc1 ZINC000830141411 629229808 /nfs/dbraw/zinc/22/98/08/629229808.db2.gz SPIYHFPWUQAILQ-DLBZAZTESA-N 0 0 311.381 3.163 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000830532215 629281257 /nfs/dbraw/zinc/28/12/57/629281257.db2.gz SVICPBMQRWLVPW-WKILWMFISA-N 0 0 317.429 3.363 20 10 DGCDRN C[C@H](CC(=O)NCc1c(O)ccc2c1CCCC2)[C@@H]1CCCO1 ZINC000830559323 629284112 /nfs/dbraw/zinc/28/41/12/629284112.db2.gz MWMIVCLLSDTZGC-ACJLOTCBSA-N 0 0 317.429 3.092 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)C1CC2(CC2(F)F)C1 ZINC000830559030 629284230 /nfs/dbraw/zinc/28/42/30/629284230.db2.gz HCAVFXSFRAOGGC-UHFFFAOYSA-N 0 0 321.367 3.323 20 10 DGCDRN CC(=O)c1cc(F)cc(Cn2cnc3c2C[C@H](C)[C@H](C)C3)c1O ZINC000830919318 629320969 /nfs/dbraw/zinc/32/09/69/629320969.db2.gz ZLVPASHDTSZCBX-MNOVXSKESA-N 0 0 316.376 3.350 20 10 DGCDRN CC(=O)c1cc(F)cc(Cn2cnc3c2C[C@@H](C)[C@@H](C)C3)c1O ZINC000830919320 629321104 /nfs/dbraw/zinc/32/11/04/629321104.db2.gz ZLVPASHDTSZCBX-WDEREUQCSA-N 0 0 316.376 3.350 20 10 DGCDRN C[C@H](NS(=O)(=O)CCC1CCCC1)c1ccc(N(C)C)cc1 ZINC000831141044 629343111 /nfs/dbraw/zinc/34/31/11/629343111.db2.gz QWYCOEFCDXUBGC-AWEZNQCLSA-N 0 0 324.490 3.313 20 10 DGCDRN CC[C@@H](CSc1ccccc1)NC(=O)Cc1ccc(N)cc1 ZINC000831443303 629377737 /nfs/dbraw/zinc/37/77/37/629377737.db2.gz IIGNGPOYLXTXRB-INIZCTEOSA-N 0 0 314.454 3.498 20 10 DGCDRN CC1=CC[C@](C)(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CC1 ZINC000831931812 629429453 /nfs/dbraw/zinc/42/94/53/629429453.db2.gz VCNIIUYYHZNBDF-ACJLOTCBSA-N 0 0 303.402 3.282 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)CC(F)(F)F ZINC000831931946 629429524 /nfs/dbraw/zinc/42/95/24/629429524.db2.gz VUNFLMJYSVJLGM-SECBINFHSA-N 0 0 319.323 3.124 20 10 DGCDRN Nc1ccc(CC(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)cc1 ZINC000831959922 629431456 /nfs/dbraw/zinc/43/14/56/629431456.db2.gz BZZWVNIDSXJYCJ-MAUKXSAKSA-N 0 0 312.388 3.403 20 10 DGCDRN Nc1ccc(CC(=O)N[C@H]2CC[C@H](Cc3ccccc3)C2)cc1 ZINC000832108338 629442431 /nfs/dbraw/zinc/44/24/31/629442431.db2.gz AZDJMONFNXQRMZ-MJGOQNOKSA-N 0 0 308.425 3.339 20 10 DGCDRN CC1(C)CN(C(=O)Cc2ccc(N)cc2)CC[C@H]1C(F)(F)F ZINC000832173260 629448281 /nfs/dbraw/zinc/44/82/81/629448281.db2.gz PWZKIWHOFCLLAS-CYBMUJFWSA-N 0 0 314.351 3.248 20 10 DGCDRN CO[C@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1CCCC1 ZINC000832437310 629480310 /nfs/dbraw/zinc/48/03/10/629480310.db2.gz ZDAGJDHXZYAIKJ-DYVFJYSZSA-N 0 0 304.434 3.135 20 10 DGCDRN CCc1oc(C(=O)[O-])cc1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000833680949 629640688 /nfs/dbraw/zinc/64/06/88/629640688.db2.gz RFNAVHWXOZGVHV-JTQLQIEISA-N 0 0 319.357 3.105 20 10 DGCDRN Cc1cc(O)c(C[N@@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])cc1C ZINC000833747243 629645959 /nfs/dbraw/zinc/64/59/59/629645959.db2.gz UIIQGXYXKAMKRO-GOSISDBHSA-N 0 0 311.381 3.193 20 10 DGCDRN COC(=O)c1cnc(SC[C@@H](O)c2cc(C)cc(C)c2)s1 ZINC000834382565 629702262 /nfs/dbraw/zinc/70/22/62/629702262.db2.gz NUQZQNJIWXTYNF-GFCCVEGCSA-N 0 0 323.439 3.372 20 10 DGCDRN COc1ccc(N(CC(=O)N2CCCCC2)C(C)C)cc1F ZINC000101567551 629741027 /nfs/dbraw/zinc/74/10/27/629741027.db2.gz MHJGXEPXUWQTOZ-UHFFFAOYSA-N 0 0 308.397 3.062 20 10 DGCDRN Cc1ccc(N[C@@H]2CCc3cccc(O)c32)cc1N1CCNC1=O ZINC000834787525 629780317 /nfs/dbraw/zinc/78/03/17/629780317.db2.gz OULHRBOCNYYANJ-OAHLLOKOSA-N 0 0 323.396 3.330 20 10 DGCDRN COC[C@@](C)(O)CC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000834844723 629789110 /nfs/dbraw/zinc/78/91/10/629789110.db2.gz UFVFYHIFYCECMF-OTYXRUKQSA-N 0 0 322.232 3.137 20 10 DGCDRN C[C@H](NCc1nn(C)cc1Cl)c1cc(Cl)ccc1O ZINC000834881873 629795943 /nfs/dbraw/zinc/79/59/43/629795943.db2.gz CRYLXSXPSDQZLE-QMMMGPOBSA-N 0 0 300.189 3.283 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CCOC2(CCC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834881838 629796385 /nfs/dbraw/zinc/79/63/85/629796385.db2.gz BQCWQSQYYQOYLE-STQMWFEESA-N 0 0 320.389 3.300 20 10 DGCDRN Cc1ccc(O)c([C@H](C)Nc2ccc(O[C@H]3CC(=O)N3)cc2)c1 ZINC000834895266 629799971 /nfs/dbraw/zinc/79/99/71/629799971.db2.gz HDMPSZSNQRJDFO-SGTLLEGYSA-N 0 0 312.369 3.099 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1ccc(F)cc1[O-] ZINC000834894728 629800412 /nfs/dbraw/zinc/80/04/12/629800412.db2.gz UHPSUMMCWPZGME-PNPHSEOMSA-N 0 0 316.376 3.497 20 10 DGCDRN C[C@H]([NH2+]CCC1CC(F)(F)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834910316 629806789 /nfs/dbraw/zinc/80/67/89/629806789.db2.gz WJAABRZIYSXJCL-VIFPVBQESA-N 0 0 300.305 3.386 20 10 DGCDRN CC[C@H]([NH2+][C@H]1C[C@H]2CCCCN2C1=O)c1cccc(Cl)c1[O-] ZINC000834916442 629808432 /nfs/dbraw/zinc/80/84/32/629808432.db2.gz YTHMCLPTDVPVSS-UGFHNGPFSA-N 0 0 322.836 3.240 20 10 DGCDRN COc1ccc(NC/C=C\c2ccc(N(C)C)cc2)cc1CO ZINC000835029971 629829811 /nfs/dbraw/zinc/82/98/11/629829811.db2.gz AAHJWBRPQXSWRP-PLNGDYQASA-N 0 0 312.413 3.379 20 10 DGCDRN CN(C)c1ccc(/C=C/CNc2ccn(CC(F)F)n2)cc1 ZINC000835042891 629833122 /nfs/dbraw/zinc/83/31/22/629833122.db2.gz LEGNSWQXISKCAR-ONEGZZNKSA-N 0 0 306.360 3.340 20 10 DGCDRN COC[C@H](C)n1ccc(NC/C=C/c2ccc(N(C)C)cc2)n1 ZINC000835047190 629834681 /nfs/dbraw/zinc/83/46/81/629834681.db2.gz ZZSZCTDNJZKLNO-NFAHFFEMSA-N 0 0 314.433 3.282 20 10 DGCDRN CCN(CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C1CC1 ZINC000101931776 629859013 /nfs/dbraw/zinc/85/90/13/629859013.db2.gz DGKDKGTXAALRAD-UHFFFAOYSA-N 0 0 303.233 3.273 20 10 DGCDRN O=C(Nc1cccc(N2CCOCC2)c1)c1cccc(F)c1F ZINC000102336050 630074643 /nfs/dbraw/zinc/07/46/43/630074643.db2.gz ONVZBASKTAXUOM-UHFFFAOYSA-N 0 0 318.323 3.054 20 10 DGCDRN Cc1csc(CNC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000836233309 630087170 /nfs/dbraw/zinc/08/71/70/630087170.db2.gz HTKXJXRKYWBOLQ-UHFFFAOYSA-N 0 0 303.431 3.122 20 10 DGCDRN Cc1ccc(C(=O)N2CCCc3ccccc3CC2)c(O)c1O ZINC000836921290 630187215 /nfs/dbraw/zinc/18/72/15/630187215.db2.gz WGBGPTVPXXZCBZ-UHFFFAOYSA-N 0 0 311.381 3.037 20 10 DGCDRN CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(N)cc2)c1C(C)C ZINC000837303196 630237600 /nfs/dbraw/zinc/23/76/00/630237600.db2.gz YGCZVNLTKWHOGG-UHFFFAOYSA-N 0 0 313.401 3.161 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nc1nnn(C)c1C ZINC000840570572 630338184 /nfs/dbraw/zinc/33/81/84/630338184.db2.gz CLIGAKZXNXLEPA-UHFFFAOYSA-N 0 0 323.400 3.092 20 10 DGCDRN CCN1C(=O)/C(=C/c2ccc(N(C)C)cc2C)SC1=S ZINC000840713642 630351343 /nfs/dbraw/zinc/35/13/43/630351343.db2.gz TZKPYDKJMZHXIT-LCYFTJDESA-N 0 0 306.456 3.282 20 10 DGCDRN COc1cccnc1CNC(=S)Nc1ccc(C)cc1C ZINC000840825938 630362850 /nfs/dbraw/zinc/36/28/50/630362850.db2.gz NJEXHPLEZOIAJR-UHFFFAOYSA-N 0 0 301.415 3.194 20 10 DGCDRN Cc1cc(O)c(CNc2nnc(C(F)(F)F)o2)c(Cl)c1 ZINC000840883812 630371531 /nfs/dbraw/zinc/37/15/31/630371531.db2.gz XYFOVORUVUWDJU-UHFFFAOYSA-N 0 0 307.659 3.368 20 10 DGCDRN Cc1cc(O)c(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c(Cl)c1 ZINC000840911136 630376319 /nfs/dbraw/zinc/37/63/19/630376319.db2.gz QQTLBSURCCPKNF-GFCCVEGCSA-N 0 0 305.809 3.457 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1cccc(N2CCNC2=O)c1 ZINC000840908664 630376481 /nfs/dbraw/zinc/37/64/81/630376481.db2.gz WIGKWVNYSBRKHT-UHFFFAOYSA-N 0 0 324.428 3.203 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN[C@H](CO)c1c(F)cccc1F ZINC000840934364 630380173 /nfs/dbraw/zinc/38/01/73/630380173.db2.gz POGZPESIJOQJKK-QGZVFWFLSA-N 0 0 320.383 3.162 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNCc1nc(-c2ccccc2)no1 ZINC000840940267 630381282 /nfs/dbraw/zinc/38/12/82/630381282.db2.gz YCUMRZDORLFQGN-UHFFFAOYSA-N 0 0 322.412 3.401 20 10 DGCDRN Cc1cc(O)c(CNc2ccc(C3(O)COC3)cc2)c(Cl)c1 ZINC000840945790 630382053 /nfs/dbraw/zinc/38/20/53/630382053.db2.gz XTZVZPMGNWFRTK-UHFFFAOYSA-N 0 0 319.788 3.184 20 10 DGCDRN COCC1CCC([NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000840962771 630387298 /nfs/dbraw/zinc/38/72/98/630387298.db2.gz NDFMEFXGAYOLSG-UHFFFAOYSA-N 0 0 301.789 3.480 20 10 DGCDRN O=C([O-])CCC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000840995442 630392461 /nfs/dbraw/zinc/39/24/61/630392461.db2.gz MXYIKCKQYLDCIJ-UHFFFAOYSA-N 0 0 324.424 3.204 20 10 DGCDRN C[C@@H](CCC1CCCCC1)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841038908 630400501 /nfs/dbraw/zinc/40/05/01/630400501.db2.gz UIDBXVJCBCUJSO-ZDUSSCGKSA-N 0 0 317.433 3.073 20 10 DGCDRN COc1cc(CNc2ccc(N)cc2)ccc1OC(=O)C1CC1 ZINC000841040172 630400795 /nfs/dbraw/zinc/40/07/95/630400795.db2.gz KXFOLIBVWYUTKJ-UHFFFAOYSA-N 0 0 312.369 3.205 20 10 DGCDRN COc1cc(C)cc(NC(=O)NCCc2ccc(N)cc2)c1C ZINC000841218865 630417234 /nfs/dbraw/zinc/41/72/34/630417234.db2.gz WFFMPKMRAIHNLV-UHFFFAOYSA-N 0 0 313.401 3.258 20 10 DGCDRN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)Nc2ccc(N)cc2)C1 ZINC000841295555 630424071 /nfs/dbraw/zinc/42/40/71/630424071.db2.gz BENYLJSHOOGAGC-ZFVVBOAOSA-N 0 0 317.433 3.062 20 10 DGCDRN CC[C@@H]1CN(c2ccccc2)CCN1C(=O)Nc1ccc(N)cc1 ZINC000841295551 630424141 /nfs/dbraw/zinc/42/41/41/630424141.db2.gz BDEQFHMAZUDPAM-QGZVFWFLSA-N 0 0 324.428 3.402 20 10 DGCDRN CC[C@@](C)(NC(=O)Nc1ccc(N)cc1)c1nc(C)cs1 ZINC000841298638 630424466 /nfs/dbraw/zinc/42/44/66/630424466.db2.gz CJNAACJYOACAQO-OAHLLOKOSA-N 0 0 304.419 3.481 20 10 DGCDRN CCOc1cccc([C@@H]2C[C@H]2NC(=O)Nc2ccc(N)cc2)c1 ZINC000841298280 630424486 /nfs/dbraw/zinc/42/44/86/630424486.db2.gz ZCZZIXXKXPDTQW-DLBZAZTESA-N 0 0 311.385 3.345 20 10 DGCDRN Cc1ccccc1[C@@H]1CN(C(=O)Nc2ccc(N)cc2)CCO1 ZINC000841301061 630424914 /nfs/dbraw/zinc/42/49/14/630424914.db2.gz YPDKNQKDVYKQGY-KRWDZBQOSA-N 0 0 311.385 3.183 20 10 DGCDRN COc1ccc([C@@H]2CCN(C(=O)Nc3ccc(N)cc3)C2)cc1 ZINC000841301561 630425475 /nfs/dbraw/zinc/42/54/75/630425475.db2.gz UNWRYRUZZHWJOY-CQSZACIVSA-N 0 0 311.385 3.299 20 10 DGCDRN COc1ccc(CNC(=O)C2(C(F)(F)F)CCCC2)c(O)c1 ZINC000841430644 630437161 /nfs/dbraw/zinc/43/71/61/630437161.db2.gz BAMFWGADQMPXDF-UHFFFAOYSA-N 0 0 317.307 3.140 20 10 DGCDRN CN1C(=O)/C(=C/c2ccc3c(c2)OCCCCO3)SC1=S ZINC000841495456 630442109 /nfs/dbraw/zinc/44/21/09/630442109.db2.gz JHXILCBGNXMBTB-LCYFTJDESA-N 0 0 321.423 3.069 20 10 DGCDRN CC(C)(CNC(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC000841701525 630457081 /nfs/dbraw/zinc/45/70/81/630457081.db2.gz ZOMJUHRSWNFFRA-UHFFFAOYSA-N 0 0 311.429 3.088 20 10 DGCDRN C[C@H]([NH2+]C[C@H](CO)Cc1ccco1)c1ccc(Cl)cc1[O-] ZINC000841756862 630462982 /nfs/dbraw/zinc/46/29/82/630462982.db2.gz CTOBWSCSYYYTDE-NWDGAFQWSA-N 0 0 309.793 3.140 20 10 DGCDRN Cc1ccccc1C1(CNC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841778787 630464129 /nfs/dbraw/zinc/46/41/29/630464129.db2.gz HKPCSGFZNZZQFK-UHFFFAOYSA-N 0 0 323.440 3.151 20 10 DGCDRN CC(C)[C@H]1CCC[C@H](NC(=O)NCCc2ccc(N)cc2)C1 ZINC000841788208 630465125 /nfs/dbraw/zinc/46/51/25/630465125.db2.gz DPELOVWKVPZHPZ-RDJZCZTQSA-N 0 0 303.450 3.325 20 10 DGCDRN COc1ccc(C[NH2+]C[C@H](Cc2ccccc2)C(=O)[O-])cc1C ZINC000841795254 630465817 /nfs/dbraw/zinc/46/58/17/630465817.db2.gz PHRNPBVRWIXTAQ-KRWDZBQOSA-N 0 0 313.397 3.037 20 10 DGCDRN Cc1ccc(C[C@H](C)NC(=O)NCCc2ccc(N)cc2)s1 ZINC000841831565 630469949 /nfs/dbraw/zinc/46/99/49/630469949.db2.gz WKLRHIVEQYJBMT-LBPRGKRZSA-N 0 0 317.458 3.112 20 10 DGCDRN Cc1ccc(CC[C@@H](C)NC(=O)NCCc2ccc(N)cc2)o1 ZINC000841838608 630470289 /nfs/dbraw/zinc/47/02/89/630470289.db2.gz DNYTXUQCXJYRHG-CYBMUJFWSA-N 0 0 315.417 3.033 20 10 DGCDRN C[C@@H](CCCC(F)(F)F)NC(=O)NCCc1ccc(N)cc1 ZINC000841886594 630473032 /nfs/dbraw/zinc/47/30/32/630473032.db2.gz UGGVIVORMOWYCO-NSHDSACASA-N 0 0 317.355 3.232 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]CC[C@H]1COc2ccccc2O1 ZINC000841888874 630473708 /nfs/dbraw/zinc/47/37/08/630473708.db2.gz UEILUGZWQJGKJD-ZDUSSCGKSA-N 0 0 319.788 3.365 20 10 DGCDRN CCC[C@H](NC(=O)NCCc1ccc(N)cc1)C1CCCC1 ZINC000841914900 630475202 /nfs/dbraw/zinc/47/52/02/630475202.db2.gz AITJPMWMURKQMN-KRWDZBQOSA-N 0 0 303.450 3.469 20 10 DGCDRN C[C@H](NC(=O)NCCc1ccc(N)cc1)[C@H]1CCC[C@H](C)C1 ZINC000841915616 630475261 /nfs/dbraw/zinc/47/52/61/630475261.db2.gz SDFCDFGBZSCGFY-DZKIICNBSA-N 0 0 303.450 3.325 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC000841954726 630476159 /nfs/dbraw/zinc/47/61/59/630476159.db2.gz OMBFHOXTCSPWHW-SFHVURJKSA-N 0 0 323.440 3.086 20 10 DGCDRN CCC[C@H](C)[C@@H]1CCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841956398 630476829 /nfs/dbraw/zinc/47/68/29/630476829.db2.gz ALVUXXCMVGNPJJ-YOEHRIQHSA-N 0 0 303.450 3.422 20 10 DGCDRN CC(C)[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)[C@@H]1C(C)C ZINC000841956120 630476855 /nfs/dbraw/zinc/47/68/55/630476855.db2.gz VWWYTVJOXUPHCE-DLBZAZTESA-N 0 0 303.450 3.133 20 10 DGCDRN CC[C@H](C)[C@@H](C)N(C(=O)NCCc1ccc(N)cc1)C1CC1 ZINC000841957148 630476870 /nfs/dbraw/zinc/47/68/70/630476870.db2.gz FRYJNDZLNFNMLW-UONOGXRCSA-N 0 0 303.450 3.420 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CCC[C@H]2C2CCCC2)cc1 ZINC000841957061 630476878 /nfs/dbraw/zinc/47/68/78/630476878.db2.gz MNBXLSLXEVUFTD-KRWDZBQOSA-N 0 0 301.434 3.176 20 10 DGCDRN C[C@H](CN(C)C(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC000841958321 630477266 /nfs/dbraw/zinc/47/72/66/630477266.db2.gz ZIBCNGQCWUNTGC-OAHLLOKOSA-N 0 0 311.429 3.256 20 10 DGCDRN CCOC(=O)c1coc(N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000842035196 630481161 /nfs/dbraw/zinc/48/11/61/630481161.db2.gz JEGWVAIVXDMVAY-LLVKDONJSA-N 0 0 303.362 3.090 20 10 DGCDRN Cc1c(NCc2ccc(N3CCOCC3)cc2)n[nH]c1C(C)C ZINC000842749659 630570911 /nfs/dbraw/zinc/57/09/11/630570911.db2.gz PYVYNEQGCWPOGV-UHFFFAOYSA-N 0 0 314.433 3.290 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CCS[C@@H]2C)c1 ZINC000842778893 630575398 /nfs/dbraw/zinc/57/53/98/630575398.db2.gz ONDFGJYDJFBRCC-BXKDBHETSA-N 0 0 316.264 3.447 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)CC3CCC3)C2)cc1 ZINC000842877542 630588432 /nfs/dbraw/zinc/58/84/32/630588432.db2.gz CLSAKTUOAKIKKE-OAHLLOKOSA-N 0 0 303.402 3.255 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)CCC3CC3)C2)cc1 ZINC000842880341 630588468 /nfs/dbraw/zinc/58/84/68/630588468.db2.gz XCNRXAYLRMPVCP-OAHLLOKOSA-N 0 0 303.402 3.255 20 10 DGCDRN CCC1(C(=O)OC[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000842877744 630588496 /nfs/dbraw/zinc/58/84/96/630588496.db2.gz CTISYDJWHIEBPF-AWEZNQCLSA-N 0 0 303.402 3.255 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)CC3CCC3)C2)cc1 ZINC000842877540 630588634 /nfs/dbraw/zinc/58/86/34/630588634.db2.gz CLSAKTUOAKIKKE-HNNXBMFYSA-N 0 0 303.402 3.255 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)/C=C(/C)C3CC3)C2)cc1 ZINC000842877249 630588682 /nfs/dbraw/zinc/58/86/82/630588682.db2.gz BIMSOHDOQNOAIX-SZGZABIGSA-N 0 0 315.413 3.421 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)C[C@@H]3C=CCC3)C2)cc1 ZINC000842881763 630589158 /nfs/dbraw/zinc/58/91/58/630589158.db2.gz RKXNAIGUIVWIRG-CVEARBPZSA-N 0 0 315.413 3.421 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1cccc(Cl)c1[O-] ZINC000842886591 630589810 /nfs/dbraw/zinc/58/98/10/630589810.db2.gz SQBMXTRIQKZHOL-UONOGXRCSA-N 0 0 324.852 3.486 20 10 DGCDRN CC[C@H]([NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)C(=O)[O-] ZINC000843040853 630607229 /nfs/dbraw/zinc/60/72/29/630607229.db2.gz ZPGOVYPTCGOYOL-SFHVURJKSA-N 0 0 324.424 3.202 20 10 DGCDRN Nc1ccc(Cc2noc(-c3cccc([C@@H]4CCOC4)c3)n2)cc1 ZINC000843158243 630622804 /nfs/dbraw/zinc/62/28/04/630622804.db2.gz AJIANSUTYHUYSM-MRXNPFEDSA-N 0 0 321.380 3.414 20 10 DGCDRN Nc1ccc(Cc2noc(CCCOCc3ccccc3)n2)cc1 ZINC000843158523 630622869 /nfs/dbraw/zinc/62/28/69/630622869.db2.gz DXELFIQWSOGLBG-UHFFFAOYSA-N 0 0 323.396 3.392 20 10 DGCDRN C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@H](CC(C)(C)C)C1=O ZINC000843309485 630644628 /nfs/dbraw/zinc/64/46/28/630644628.db2.gz ZIRHFNADRQJJKV-SWLSCSKDSA-N 0 0 317.433 3.170 20 10 DGCDRN Cc1cc(CCNC(=O)[C@@H]2CCC(=O)C2)c(C)n1-c1ccccc1 ZINC000843758573 630698239 /nfs/dbraw/zinc/69/82/39/630698239.db2.gz UGRSLBBMVLVCQM-QGZVFWFLSA-N 0 0 324.424 3.122 20 10 DGCDRN CC1=C(C)C[C@@H](C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CC1 ZINC000843851874 630701994 /nfs/dbraw/zinc/70/19/94/630701994.db2.gz SLFIXYFDODRJIP-HIFRSBDPSA-N 0 0 303.402 3.282 20 10 DGCDRN O=C(/C=C/c1cncc(F)c1)N1CCSc2ccccc21 ZINC000105364283 630703811 /nfs/dbraw/zinc/70/38/11/630703811.db2.gz LXMXEBBQHCSIRR-AATRIKPKSA-N 0 0 300.358 3.373 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2CO[C@@H](C)C2)c(C)n1-c1ccccc1C ZINC000844106274 630709474 /nfs/dbraw/zinc/70/94/74/630709474.db2.gz MLFVNSPYFCREQU-HOCLYGCPSA-N 0 0 312.413 3.310 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)c(C)n1-c1ccccn1 ZINC000844108131 630709728 /nfs/dbraw/zinc/70/97/28/630709728.db2.gz RWUXSRXOZYKUNE-HRCADAONSA-N 0 0 309.413 3.408 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2CCS[C@H]2C)c(C)n1-c1ccccn1 ZINC000844115875 630709935 /nfs/dbraw/zinc/70/99/35/630709935.db2.gz PPOJCPMYZAQDPT-DZGCQCFKSA-N 0 0 315.442 3.113 20 10 DGCDRN Cc1nnsc1CN1CCCc2cc(OC(F)F)ccc21 ZINC000844305149 630717631 /nfs/dbraw/zinc/71/76/31/630717631.db2.gz OYHWYFNHNUBFID-UHFFFAOYSA-N 0 0 311.357 3.401 20 10 DGCDRN COc1ccc(N(C)CC(=O)Nc2cc(C(C)(C)C)no2)cc1 ZINC000844353403 630720660 /nfs/dbraw/zinc/72/06/60/630720660.db2.gz VYQATEZQHGQLIO-UHFFFAOYSA-N 0 0 317.389 3.056 20 10 DGCDRN COc1ccc(N(C)CCN(C)Cc2csc(C)n2)cc1 ZINC000844398749 630724614 /nfs/dbraw/zinc/72/46/14/630724614.db2.gz BJPJILHUGKNABW-UHFFFAOYSA-N 0 0 305.447 3.028 20 10 DGCDRN CO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000844404776 630725041 /nfs/dbraw/zinc/72/50/41/630725041.db2.gz HCKBTFHJOOGHJR-HUUCEWRRSA-N 0 0 311.809 3.295 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)Nc1ccc(C2CC2)nn1 ZINC000844558301 630739237 /nfs/dbraw/zinc/73/92/37/630739237.db2.gz MDRGXFTUINLAJC-UHFFFAOYSA-N 0 0 318.764 3.035 20 10 DGCDRN CC[C@H](C(=O)OC(C)(C)C)N(C)Cc1cc(OC)c(C)cc1O ZINC000844759040 630845447 /nfs/dbraw/zinc/84/54/47/630845447.db2.gz OZCNTXOBGSUWLL-CQSZACIVSA-N 0 0 323.433 3.261 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)c2csc(C)c2)cc1 ZINC000844855910 630945199 /nfs/dbraw/zinc/94/51/99/630945199.db2.gz JDUIBSYKCYJBFN-UHFFFAOYSA-N 0 0 318.442 3.274 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)C2CCC2)cc1 ZINC000844857180 630947203 /nfs/dbraw/zinc/94/72/03/630947203.db2.gz RGEDHXAPNXPCPZ-AWEZNQCLSA-N 0 0 304.434 3.026 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)c2cc(C)cs2)cc1 ZINC000844857299 630947280 /nfs/dbraw/zinc/94/72/80/630947280.db2.gz SLYNRXWPLDTTLD-UHFFFAOYSA-N 0 0 318.442 3.274 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@]2(CC2(F)F)C1 ZINC000844994343 631028837 /nfs/dbraw/zinc/02/88/37/631028837.db2.gz ZNICICSVUNDHPI-INIZCTEOSA-N 0 0 323.387 3.002 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000844996225 631028869 /nfs/dbraw/zinc/02/88/69/631028869.db2.gz URNKUAVLFZJJAA-IYBDPMFKSA-N 0 0 316.351 3.431 20 10 DGCDRN CC[C@@H](NC(=O)NCc1cc(Cl)ccc1O)c1ccncc1 ZINC000845007289 631031682 /nfs/dbraw/zinc/03/16/82/631031682.db2.gz GBDYXAPUMZJHFD-CQSZACIVSA-N 0 0 319.792 3.391 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)NCC1(C2CC2)CCC1 ZINC000845067964 631064639 /nfs/dbraw/zinc/06/46/39/631064639.db2.gz INNNFWWCPBUYFA-UHFFFAOYSA-N 0 0 308.809 3.425 20 10 DGCDRN CCn1ccc(COC(=O)c2cc(C)n(-c3ccccn3)c2C)n1 ZINC000845091704 631071208 /nfs/dbraw/zinc/07/12/08/631071208.db2.gz UTEWQVXRNDIYEX-UHFFFAOYSA-N 0 0 324.384 3.063 20 10 DGCDRN COC/C(C)=C/C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000845461156 631176501 /nfs/dbraw/zinc/17/65/01/631176501.db2.gz ZWAOFICVZODJHK-FOWTUZBSSA-N 0 0 316.445 3.132 20 10 DGCDRN CCC[C@H](C)S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000845824738 631197833 /nfs/dbraw/zinc/19/78/33/631197833.db2.gz FFDPKKUPHIVSCN-AWEZNQCLSA-N 0 0 324.490 3.235 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ncccc2SC)c1 ZINC000845834017 631198176 /nfs/dbraw/zinc/19/81/76/631198176.db2.gz PLAFTDZHWJFELM-JTQLQIEISA-N 0 0 318.398 3.009 20 10 DGCDRN COc1ccc(N(C)Cc2ccc(C(=O)NC3CC3)cc2)cc1 ZINC000845997940 631205207 /nfs/dbraw/zinc/20/52/07/631205207.db2.gz FZMZSGZOZCAGBW-UHFFFAOYSA-N 0 0 310.397 3.224 20 10 DGCDRN C[C@@H](O)[C@H]([NH2+]Cc1cccc(Cl)c1[O-])c1ccccc1F ZINC000846017760 631206394 /nfs/dbraw/zinc/20/63/94/631206394.db2.gz PVDXCXIJOOMNQU-BMIGLBTASA-N 0 0 309.768 3.396 20 10 DGCDRN Cc1cccc(CN2CCCCN2C(=O)OC(C)(C)C)c1O ZINC000846070275 631209148 /nfs/dbraw/zinc/20/91/48/631209148.db2.gz QPQKWKJOOLRWNC-UHFFFAOYSA-N 0 0 306.406 3.449 20 10 DGCDRN [O-]c1c(Br)cccc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000846118178 631210781 /nfs/dbraw/zinc/21/07/81/631210781.db2.gz UZXPNFZBMBDMQP-LBPRGKRZSA-N 0 0 318.161 3.386 20 10 DGCDRN CCNC(=O)c1cccc(N[C@@H](C)c2cccc(OC)c2O)c1 ZINC000846159997 631212716 /nfs/dbraw/zinc/21/27/16/631212716.db2.gz OWPKPSOWXHJEIZ-LBPRGKRZSA-N 0 0 314.385 3.324 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1cccc(Cl)c1[O-] ZINC000846206271 631214749 /nfs/dbraw/zinc/21/47/49/631214749.db2.gz OYXNBHSREYCYJM-NHYWBVRUSA-N 0 0 322.836 3.097 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1cccc(Cl)c1[O-] ZINC000846206272 631214777 /nfs/dbraw/zinc/21/47/77/631214777.db2.gz OYXNBHSREYCYJM-XHDPSFHLSA-N 0 0 322.836 3.097 20 10 DGCDRN Cc1cc(C[NH2+][C@H](C)[C@@H](C)C(=O)[O-])ccc1N1CCCCC1 ZINC000846228779 631215909 /nfs/dbraw/zinc/21/59/09/631215909.db2.gz OTQDKNNAUDQAGD-HUUCEWRRSA-N 0 0 304.434 3.184 20 10 DGCDRN CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000846284803 631220916 /nfs/dbraw/zinc/22/09/16/631220916.db2.gz ORDKVRCLXSIVCQ-MRXNPFEDSA-N 0 0 318.461 3.466 20 10 DGCDRN Cc1nc(CC(C)C)oc1C(=O)NCc1cc(Cl)ccc1O ZINC000846474038 631249618 /nfs/dbraw/zinc/24/96/18/631249618.db2.gz RAGFYCQBOHCNPW-UHFFFAOYSA-N 0 0 322.792 3.471 20 10 DGCDRN Cc1cc(C)n([C@H](C)CC(=O)NCc2cc(Cl)ccc2O)n1 ZINC000846474069 631249672 /nfs/dbraw/zinc/24/96/72/631249672.db2.gz XOCYFQZOQCFQGA-GFCCVEGCSA-N 0 0 321.808 3.126 20 10 DGCDRN C[C@H]1C(=O)CC[C@@H](C(=O)NCc2cc(Cl)ccc2O)C1(C)C ZINC000846474163 631249894 /nfs/dbraw/zinc/24/98/94/631249894.db2.gz RREGISBYVHWQJY-GWCFXTLKSA-N 0 0 323.820 3.303 20 10 DGCDRN C[C@H]1CCCC[C@@H]1OCC(=O)NCc1cc(Cl)ccc1O ZINC000846476348 631250382 /nfs/dbraw/zinc/25/03/82/631250382.db2.gz NQZPGTBSSPIVNT-NHYWBVRUSA-N 0 0 311.809 3.257 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1ccnn1C1CCCC1 ZINC000846478127 631251202 /nfs/dbraw/zinc/25/12/02/631251202.db2.gz ZTYRJGROIRUQRU-UHFFFAOYSA-N 0 0 319.792 3.287 20 10 DGCDRN Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NCc1cc(Cl)ccc1O ZINC000846477919 631251488 /nfs/dbraw/zinc/25/14/88/631251488.db2.gz XOMGRBVLAQYOTB-VIFPVBQESA-N 0 0 321.808 3.196 20 10 DGCDRN Cc1ccc(C(=O)NCCC[C@H]2CC2(Cl)Cl)c(O)c1O ZINC000846585906 631270301 /nfs/dbraw/zinc/27/03/01/631270301.db2.gz AMDNQZHCSLWBOA-VIFPVBQESA-N 0 0 318.200 3.110 20 10 DGCDRN O=C(NCCCC(F)(F)F)NCc1cc(Cl)ccc1O ZINC000846712048 631291161 /nfs/dbraw/zinc/29/11/61/631291161.db2.gz FUQHKTYXYKKYDQ-UHFFFAOYSA-N 0 0 310.703 3.187 20 10 DGCDRN C/C(=C/c1ccccn1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000846843190 631324955 /nfs/dbraw/zinc/32/49/55/631324955.db2.gz MSFFKTPWSPIQMX-QINSGFPZSA-N 0 0 321.424 3.184 20 10 DGCDRN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2C(=O)C2=CC(=O)CS2)C1 ZINC000846972136 631370884 /nfs/dbraw/zinc/37/08/84/631370884.db2.gz MATNVXCITVQLSD-UNQGMJICSA-N 0 0 323.458 3.246 20 10 DGCDRN COC[C@@H](C)Nc1ccccc1NC(=O)C1=CC(=O)CS1 ZINC000847043513 631389842 /nfs/dbraw/zinc/38/98/42/631389842.db2.gz BCEOUCMIQIZJBX-SNVBAGLBSA-N 0 0 306.387 3.153 20 10 DGCDRN O=S(=O)(Nc1ccc(O)cc1F)c1ccc(F)cc1Cl ZINC000107218631 631570048 /nfs/dbraw/zinc/57/00/48/631570048.db2.gz KREXBPAOQDSEKB-UHFFFAOYSA-N 0 0 319.716 3.125 20 10 DGCDRN Cc1ccc([C@@H](NC(=O)C2=CC(=O)CS2)C(F)(F)F)o1 ZINC000848391711 631652504 /nfs/dbraw/zinc/65/25/04/631652504.db2.gz OBFVIQJVDZEIMB-SNVBAGLBSA-N 0 0 305.277 3.389 20 10 DGCDRN C[C@H](NC(=O)c1c(F)ccc(O)c1O)C1CCC(F)(F)CC1 ZINC000848391743 631652707 /nfs/dbraw/zinc/65/27/07/631652707.db2.gz OPGXTEHBHKSXHA-QMMMGPOBSA-N 0 0 317.307 3.181 20 10 DGCDRN COc1ccc2c(c1)[C@H](C(=O)NCCc1ccc(N)cc1)CCC2 ZINC000848395860 631653687 /nfs/dbraw/zinc/65/36/87/631653687.db2.gz XEFZWGXLYNLZRJ-GOSISDBHSA-N 0 0 324.424 3.056 20 10 DGCDRN CCN1C[C@H](CSc2ncc(C(C)(C)C)s2)OC1=O ZINC000848432724 631661126 /nfs/dbraw/zinc/66/11/26/631661126.db2.gz QABPQHIINPZVSF-SECBINFHSA-N 0 0 300.449 3.373 20 10 DGCDRN C[C@@H]([NH2+][C@H]1C[C@H](OC(C)(C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000848565321 631694837 /nfs/dbraw/zinc/69/48/37/631694837.db2.gz JCZSXNZVJRFTMB-NQBHXWOUSA-N 0 0 308.378 3.297 20 10 DGCDRN CCOc1ccc(O)c(C[NH2+][C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000848639701 631715335 /nfs/dbraw/zinc/71/53/35/631715335.db2.gz JMTFAEFYZYXLET-TUKIKUTGSA-N 0 0 321.417 3.016 20 10 DGCDRN CCc1cccc(CN2CCN([C@H](C)C(F)(F)F)CC2)c1O ZINC000848890609 631774664 /nfs/dbraw/zinc/77/46/64/631774664.db2.gz SPKPTSNYFDHROO-GFCCVEGCSA-N 0 0 316.367 3.023 20 10 DGCDRN CCc1cccc(CNc2cc(CSCCO)ccn2)c1O ZINC000848900615 631779372 /nfs/dbraw/zinc/77/93/72/631779372.db2.gz OOLWFQLBOVWLFA-UHFFFAOYSA-N 0 0 318.442 3.187 20 10 DGCDRN CCc1cccc(CN2CCC(=O)N(C)c3ccccc32)c1O ZINC000848912585 631783964 /nfs/dbraw/zinc/78/39/64/631783964.db2.gz SKCVZIZSYWDMTA-UHFFFAOYSA-N 0 0 310.397 3.328 20 10 DGCDRN Oc1ccc(F)cc1CN[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000848928193 631792088 /nfs/dbraw/zinc/79/20/88/631792088.db2.gz WWZZJEVBOBYFAM-WCQYABFASA-N 0 0 307.287 3.121 20 10 DGCDRN COCCNc1nnc(-c2cc(C)n(-c3ccccc3)c2C)o1 ZINC000849157136 631844457 /nfs/dbraw/zinc/84/44/57/631844457.db2.gz QKGFEFDHYNSBCV-UHFFFAOYSA-N 0 0 312.373 3.202 20 10 DGCDRN COC(=O)CSCC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000849191615 631855102 /nfs/dbraw/zinc/85/51/02/631855102.db2.gz RATZZMBYGNJXGQ-UHFFFAOYSA-N 0 0 317.410 3.183 20 10 DGCDRN CN(C)c1ccc(C[NH2+][C@H]2C[C@@H](CCC(=O)[O-])C2(C)C)cc1 ZINC000849231920 631859872 /nfs/dbraw/zinc/85/98/72/631859872.db2.gz LBTTYTXZDWLRHJ-ZBFHGGJFSA-N 0 0 304.434 3.122 20 10 DGCDRN CCOc1ccc(CNc2nc(CC(C)C)ns2)c(O)c1 ZINC000849348012 631899209 /nfs/dbraw/zinc/89/92/09/631899209.db2.gz XCLDFHULNLAVIV-UHFFFAOYSA-N 0 0 307.419 3.453 20 10 DGCDRN CC(=O)[C@H](C)CCOC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000849680167 631934481 /nfs/dbraw/zinc/93/44/81/631934481.db2.gz OFHRFFGTZFAZCJ-GFCCVEGCSA-N 0 0 314.385 3.261 20 10 DGCDRN O=C(NCCSc1ncc(Cl)s1)OCC(F)(F)F ZINC000849999568 632024357 /nfs/dbraw/zinc/02/43/57/632024357.db2.gz UJPRDFIOLCLCCI-UHFFFAOYSA-N 0 0 320.745 3.177 20 10 DGCDRN CCN(CC)c1ccc(CN[C@@H]2C[C@@H](C)n3ncnc32)cc1F ZINC000850351655 632121981 /nfs/dbraw/zinc/12/19/81/632121981.db2.gz GLIBISCRTYDPEO-IUODEOHRSA-N 0 0 317.412 3.059 20 10 DGCDRN CCn1cc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)nn1 ZINC000850522174 632177950 /nfs/dbraw/zinc/17/79/50/632177950.db2.gz GNDHBTKEIYXVGH-HNNXBMFYSA-N 0 0 313.449 3.139 20 10 DGCDRN C[C@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1cc(F)cc(F)c1[O-] ZINC000850533011 632183516 /nfs/dbraw/zinc/18/35/16/632183516.db2.gz QXJBZCQWGQUDTO-PELMWDNLSA-N 0 0 319.298 3.135 20 10 DGCDRN COCc1csc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000850533487 632184259 /nfs/dbraw/zinc/18/42/59/632184259.db2.gz ZTDOBAJJAUXQHK-JTQLQIEISA-N 0 0 322.386 3.359 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)CN1CCC(C)CC1)c1cc(F)cc(F)c1[O-] ZINC000850544118 632187830 /nfs/dbraw/zinc/18/78/30/632187830.db2.gz TUPRETARZZTSTJ-QWHCGFSZSA-N 0 0 312.404 3.441 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850544607 632187940 /nfs/dbraw/zinc/18/79/40/632187940.db2.gz YSLZWTUQKILWHL-HWPZZCPQSA-N 0 0 314.341 3.344 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](CO)CC1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000850545596 632188255 /nfs/dbraw/zinc/18/82/55/632188255.db2.gz QILOCBJKGJJWDP-PWSUYJOCSA-N 0 0 317.351 3.470 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850544608 632188462 /nfs/dbraw/zinc/18/84/62/632188462.db2.gz YSLZWTUQKILWHL-MGPLVRAMSA-N 0 0 314.341 3.344 20 10 DGCDRN C[C@H]([NH2+]CCC1SCCS1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850571334 632198339 /nfs/dbraw/zinc/19/83/39/632198339.db2.gz UIONMRGISKJCBP-VIFPVBQESA-N 0 0 314.432 3.147 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](O)[C@@H](C)c1ccccc1)c1ccc(F)cc1[O-] ZINC000850573482 632199203 /nfs/dbraw/zinc/19/92/03/632199203.db2.gz MQUJONXAZGUTOW-ZJNRKIDTSA-N 0 0 303.377 3.347 20 10 DGCDRN Nc1ccc(CNC(=O)C2(C(F)(F)F)CCCCC2)cc1 ZINC000850711179 632207455 /nfs/dbraw/zinc/20/74/55/632207455.db2.gz LMLJIORYEUXUGI-UHFFFAOYSA-N 0 0 300.324 3.398 20 10 DGCDRN CC[C@H](Cc1ccc(F)cc1)NC(=O)Cc1ccc(N)cc1 ZINC000851640487 632464246 /nfs/dbraw/zinc/46/42/46/632464246.db2.gz VZYAMUJMLQVWHH-QGZVFWFLSA-N 0 0 300.377 3.088 20 10 DGCDRN COc1ccc(O)c([C@H](C)NCC(F)(F)Br)c1 ZINC000851899767 632518535 /nfs/dbraw/zinc/51/85/35/632518535.db2.gz FOCZZHZEZWZERK-ZETCQYMHSA-N 0 0 310.138 3.039 20 10 DGCDRN Cc1cc(CN2CCn3cncc3C2)ccc1N1CCCCC1 ZINC000852062808 632547741 /nfs/dbraw/zinc/54/77/41/632547741.db2.gz BLRFEBFVECJZGM-UHFFFAOYSA-N 0 0 310.445 3.198 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@H]3C[C@H]3C2)cc1F ZINC000852084191 632550699 /nfs/dbraw/zinc/55/06/99/632550699.db2.gz LWZURCBBQWZAGV-GJZGRUSLSA-N 0 0 319.424 3.223 20 10 DGCDRN CO[C@@H](CN(C)c1ccc(-c2nccs2)cc1)[C@H]1CCOC1 ZINC000852165247 632565476 /nfs/dbraw/zinc/56/54/76/632565476.db2.gz AHUUXXRVNYAMGS-HOCLYGCPSA-N 0 0 318.442 3.298 20 10 DGCDRN C[C@@H](NC(=O)NCCCOC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000852261145 632578023 /nfs/dbraw/zinc/57/80/23/632578023.db2.gz LRDVOHVCVVXYGW-CQSZACIVSA-N 0 0 321.465 3.318 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CC2(O)CCCCC2)cc1 ZINC000072985171 660234321 /nfs/dbraw/zinc/23/43/21/660234321.db2.gz HFCZWIHZALLGID-UHFFFAOYSA-N 0 0 318.461 3.234 20 10 DGCDRN Cc1ccnc(-c2ccc(NC(=O)c3cccc(O)c3O)cc2)n1 ZINC000185669368 660235996 /nfs/dbraw/zinc/23/59/96/660235996.db2.gz VYPCBZADVVPQBK-UHFFFAOYSA-N 0 0 321.336 3.116 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1c(O)cccc1F ZINC000185711591 660237635 /nfs/dbraw/zinc/23/76/35/660237635.db2.gz ZLDQKZZZYHEULA-UHFFFAOYSA-N 0 0 314.360 3.062 20 10 DGCDRN O=C(Nc1ccc2nc(C3CC3)oc2c1)c1cccc(O)c1O ZINC000185812008 660243914 /nfs/dbraw/zinc/24/39/14/660243914.db2.gz SUZRUOXWUAIORX-UHFFFAOYSA-N 0 0 310.309 3.369 20 10 DGCDRN COCCn1c2ccccc2nc1NCc1cc(C)ccc1O ZINC000185850182 660248506 /nfs/dbraw/zinc/24/85/06/660248506.db2.gz GIFSNMFTDCLSQU-UHFFFAOYSA-N 0 0 311.385 3.309 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1ccc(F)cc1[O-] ZINC000186094689 660266175 /nfs/dbraw/zinc/26/61/75/660266175.db2.gz YBUVGPXLCIWQDP-FIKIJFGZSA-N 0 0 307.390 3.120 20 10 DGCDRN C[C@H]1CCN(C(=O)/C=C/c2cncc(O)c2)c2c(O)cccc21 ZINC000186322227 660368796 /nfs/dbraw/zinc/36/87/96/660368796.db2.gz XFACJFDZJRHANN-FYJFLYSWSA-N 0 0 310.353 3.046 20 10 DGCDRN O=C1N=C(NC2CCCCC2)SC1=Cc1ccc(F)nc1 ZINC000186388685 660379940 /nfs/dbraw/zinc/37/99/40/660379940.db2.gz LITHQRHWZZQDFY-XYOKQWHBSA-N 0 0 305.378 3.113 20 10 DGCDRN Cc1ccc2cc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)[nH]c2c1 ZINC000186411261 660383883 /nfs/dbraw/zinc/38/38/83/660383883.db2.gz RUXRQRDYMUYDEE-GFCCVEGCSA-N 0 0 324.380 3.249 20 10 DGCDRN CCOc1ccccc1N(C)Cc1cc2c(cc1O)OCO2 ZINC000188693523 660535916 /nfs/dbraw/zinc/53/59/16/660535916.db2.gz SVCPAUSCBUKPFS-UHFFFAOYSA-N 0 0 301.342 3.156 20 10 DGCDRN O=C(c1cccc(O)c1O)N(Cc1ccc(F)cc1)C1CC1 ZINC000186832741 660576637 /nfs/dbraw/zinc/57/66/37/660576637.db2.gz VZZVUWWAKGFLGY-UHFFFAOYSA-N 0 0 301.317 3.042 20 10 DGCDRN CC[C@@H]1CN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CCO1 ZINC000030852169 660597254 /nfs/dbraw/zinc/59/72/54/660597254.db2.gz BINRYUNFIRNANS-GOSISDBHSA-N 0 0 312.413 3.345 20 10 DGCDRN C[C@@H]1N(Cc2c(O)cccc2Br)CCOC1(C)C ZINC000707128014 660889686 /nfs/dbraw/zinc/88/96/86/660889686.db2.gz QQYYJFAOWKWJAM-JTQLQIEISA-N 0 0 314.223 3.154 20 10 DGCDRN C[C@H](C[C@H](C)O)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708097941 660918041 /nfs/dbraw/zinc/91/80/41/660918041.db2.gz ATUDMRWGGNALMD-SFYZADRCSA-N 0 0 322.630 3.057 20 10 DGCDRN CCC[C@@H]1CN(Cc2ccc(Br)cc2O)CCO1 ZINC000709022280 660923501 /nfs/dbraw/zinc/92/35/01/660923501.db2.gz UWASKAPDQDUIEZ-CYBMUJFWSA-N 0 0 314.223 3.156 20 10 DGCDRN Cc1cc(NS(=O)(=O)c2ccc(F)cc2)c(C)c(C)c1O ZINC000187061902 660943840 /nfs/dbraw/zinc/94/38/40/660943840.db2.gz RLOUIRZJWRKHNT-UHFFFAOYSA-N 0 0 309.362 3.257 20 10 DGCDRN Cc1cc(O)c(C(C)C)cc1NC(=O)c1cccc(O)c1O ZINC000187181655 660965031 /nfs/dbraw/zinc/96/50/31/660965031.db2.gz ONQYNBWCMQPUFH-UHFFFAOYSA-N 0 0 301.342 3.488 20 10 DGCDRN COc1ccc(CNC(=O)NCc2ccccc2Cl)c(O)c1 ZINC000792776338 660983840 /nfs/dbraw/zinc/98/38/40/660983840.db2.gz DDDKTXRHEYZDQL-UHFFFAOYSA-N 0 0 320.776 3.054 20 10 DGCDRN CC(C)C[C@@H](C)n1nccc1NC(=O)c1cccc(O)c1O ZINC000792803774 660985498 /nfs/dbraw/zinc/98/54/98/660985498.db2.gz WLBSZIUELOPPGK-LLVKDONJSA-N 0 0 303.362 3.154 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)c(O)c1 ZINC000792934980 660995091 /nfs/dbraw/zinc/99/50/91/660995091.db2.gz BJFIMYPRNCAJIH-TYNCELHUSA-N 0 0 306.406 3.025 20 10 DGCDRN C[C@H]1CC[C@H](CNC(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000792953085 660996466 /nfs/dbraw/zinc/99/64/66/660996466.db2.gz XJNQXTDQRVPMRU-STQMWFEESA-N 0 0 307.413 3.127 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CC[C@H](C)C1 ZINC000793023985 661000740 /nfs/dbraw/zinc/00/07/40/661000740.db2.gz IIXYKNCKLWMBBP-DZGCQCFKSA-N 0 0 303.450 3.296 20 10 DGCDRN CN(C)c1ccc(CNCC(F)(F)F)c(C(F)(F)F)c1 ZINC000793166166 661009222 /nfs/dbraw/zinc/00/92/22/661009222.db2.gz ANLCJOCXCDGZEF-UHFFFAOYSA-N 0 0 300.246 3.423 20 10 DGCDRN CCOCc1cc(CNCc2cccnc2F)ccc1OC ZINC000793283913 661021299 /nfs/dbraw/zinc/02/12/99/661021299.db2.gz BIVRRRQFIDEGAH-UHFFFAOYSA-N 0 0 304.365 3.056 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CCC(F)F)cc1F ZINC000793468371 661037289 /nfs/dbraw/zinc/03/72/89/661037289.db2.gz LNPWIOWBNBGJSL-UHFFFAOYSA-N 0 0 302.340 3.333 20 10 DGCDRN COc1cc(Cl)cc(C[N@@H+]2CCCCC[C@@H]2CCO)c1O ZINC000793608061 661049236 /nfs/dbraw/zinc/04/92/36/661049236.db2.gz HMZPOQSOIRYUNT-CQSZACIVSA-N 0 0 313.825 3.181 20 10 DGCDRN COc1ccc(CNC(=O)c2ccc(F)c(Cl)c2)c(O)c1 ZINC000794374397 661081592 /nfs/dbraw/zinc/08/15/92/661081592.db2.gz RPPGLEAKRNHHDN-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN COc1ccc(CNC(=O)c2sc(C(C)C)nc2C)c(O)c1 ZINC000794377245 661081749 /nfs/dbraw/zinc/08/17/49/661081749.db2.gz PXLKDPOXKSYUAO-UHFFFAOYSA-N 0 0 320.414 3.219 20 10 DGCDRN COc1ccc(CNC(=O)/C(C)=C\c2ccc(F)cc2)c(O)c1 ZINC000794381117 661081891 /nfs/dbraw/zinc/08/18/91/661081891.db2.gz LCPVQMXDYHBZKG-XFXZXTDPSA-N 0 0 315.344 3.260 20 10 DGCDRN COc1ccc(CNC(=O)c2cccc(C(F)F)c2)c(O)c1 ZINC000794379067 661081971 /nfs/dbraw/zinc/08/19/71/661081971.db2.gz JCNLSGMWJYKYIS-UHFFFAOYSA-N 0 0 307.296 3.268 20 10 DGCDRN COc1ccc(CNC(=O)c2c(F)cccc2Cl)c(O)c1 ZINC000794382626 661082069 /nfs/dbraw/zinc/08/20/69/661082069.db2.gz ZJFJUEYVIJDFPQ-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN COc1ccc(CNC(=O)/C(C)=C/c2ccc(C)cc2)c(O)c1 ZINC000794389677 661082655 /nfs/dbraw/zinc/08/26/55/661082655.db2.gz CDKANJNPFCRYOA-GXDHUFHOSA-N 0 0 311.381 3.429 20 10 DGCDRN C[C@@H](NC(=O)c1ncccc1Cl)c1ccc(N(C)C)cc1 ZINC000794431491 661084488 /nfs/dbraw/zinc/08/44/88/661084488.db2.gz BQNTWRBYARAYMZ-LLVKDONJSA-N 0 0 303.793 3.292 20 10 DGCDRN CCN(Cc1cc(OC)c(OC)cc1O)[C@@H](C)C(F)(F)F ZINC000794676238 661097944 /nfs/dbraw/zinc/09/79/44/661097944.db2.gz FPXLRDIQNQMNJO-VIFPVBQESA-N 0 0 307.312 3.182 20 10 DGCDRN COC(=O)c1ccc(NCc2c(O)cccc2Cl)cc1OC ZINC000794969168 661117741 /nfs/dbraw/zinc/11/77/41/661117741.db2.gz GRAUGZINAMEFBR-UHFFFAOYSA-N 0 0 321.760 3.453 20 10 DGCDRN CCOC(=O)c1cc(NCc2ccccc2O)ncc1Cl ZINC000795079450 661125409 /nfs/dbraw/zinc/12/54/09/661125409.db2.gz ATKHLPJFGCXNQM-UHFFFAOYSA-N 0 0 306.749 3.229 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OCCC[C@@H](C)O ZINC000795465249 661153270 /nfs/dbraw/zinc/15/32/70/661153270.db2.gz PYWGNQNUHCJLQA-CYBMUJFWSA-N 0 0 307.415 3.473 20 10 DGCDRN CC(C)CCOCC[NH2+]Cc1cccc(Br)c1[O-] ZINC000045094408 655624600 /nfs/dbraw/zinc/62/46/00/655624600.db2.gz URUIXDGXBUGDRN-UHFFFAOYSA-N 0 0 316.239 3.307 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cncn1C)c1cc(Br)ccc1O ZINC000289627980 655643473 /nfs/dbraw/zinc/64/34/73/655643473.db2.gz FBPOODFQQXIOQF-CYBMUJFWSA-N 0 0 324.222 3.129 20 10 DGCDRN COc1ccc(CN[C@@H]([C@@H]2CCOC2)C(F)(F)F)cc1C ZINC000933004326 655670075 /nfs/dbraw/zinc/67/00/75/655670075.db2.gz UKADAVBMXKYADI-OCCSQVGLSA-N 0 0 303.324 3.061 20 10 DGCDRN CCOC1(C(=O)N(CC)Cc2ccc(N(C)C)cc2)CCCC1 ZINC000795752204 661171714 /nfs/dbraw/zinc/17/17/14/661171714.db2.gz HZQGBQKGYWJGRI-UHFFFAOYSA-N 0 0 318.461 3.450 20 10 DGCDRN Cc1cncc(/C=C\C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000255283889 655681538 /nfs/dbraw/zinc/68/15/38/655681538.db2.gz XNLDFTGIOVXNNC-DAXSKMNVSA-N 0 0 323.352 3.291 20 10 DGCDRN COc1ccccc1C/C(C)=C\C(=O)NCCc1ccc(N)cc1 ZINC000255297868 655689361 /nfs/dbraw/zinc/68/93/61/655689361.db2.gz PPXVPGZIZYLHCM-PFONDFGASA-N 0 0 324.424 3.125 20 10 DGCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2ccsc2)cc1 ZINC000795805098 661173820 /nfs/dbraw/zinc/17/38/20/661173820.db2.gz CBXPUGMAWGSRAX-UHFFFAOYSA-N 0 0 324.471 3.073 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)Cc2cc(F)ccc2F)c1 ZINC000176007498 655699977 /nfs/dbraw/zinc/69/99/77/655699977.db2.gz LRGVOVRKXOBJKE-JTQLQIEISA-N 0 0 321.323 3.099 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc3cc[nH]c32)c1 ZINC000176007471 655699997 /nfs/dbraw/zinc/69/99/97/655699997.db2.gz YWVYNVOGWICJGZ-LLVKDONJSA-N 0 0 310.353 3.373 20 10 DGCDRN C[C@@](NC(=O)NCc1c(O)cccc1F)(C1CC1)C(F)(F)F ZINC000933558268 655720086 /nfs/dbraw/zinc/72/00/86/655720086.db2.gz FWKJYWQZZYVTBZ-CYBMUJFWSA-N 0 0 320.286 3.062 20 10 DGCDRN Cc1cc(O)c(CN2CCN([C@@H](C)C(F)(F)F)CC2)cc1C ZINC000176068451 655731087 /nfs/dbraw/zinc/73/10/87/655731087.db2.gz LARQRAXNVMMICU-ZDUSSCGKSA-N 0 0 316.367 3.077 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@H+](C)C[C@H]3CCOC3)c2c1 ZINC000176101750 655734198 /nfs/dbraw/zinc/73/41/98/655734198.db2.gz ZODTXXWNRKVKJX-CYBMUJFWSA-N 0 0 301.386 3.022 20 10 DGCDRN CN(C)c1ccc2cc(NC(=O)/C=C\c3cccnc3)ccc2n1 ZINC000255426086 655746951 /nfs/dbraw/zinc/74/69/51/655746951.db2.gz LPZZHPOPPMSHHU-YHYXMXQVSA-N 0 0 318.380 3.348 20 10 DGCDRN CCOCCCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000068956329 655770872 /nfs/dbraw/zinc/77/08/72/655770872.db2.gz IQBJHJXUDMAGMS-UHFFFAOYSA-N 0 0 318.392 3.390 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)OC(C)(C)C2)c1O ZINC000045698593 655776388 /nfs/dbraw/zinc/77/63/88/655776388.db2.gz RGYHXLXTSIVVCM-SNVBAGLBSA-N 0 0 311.809 3.248 20 10 DGCDRN CNC(=O)C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])c1ccccc1 ZINC000796035998 661186462 /nfs/dbraw/zinc/18/64/62/661186462.db2.gz FKHBXJQUAXGFMU-HNNXBMFYSA-N 0 0 318.804 3.013 20 10 DGCDRN CCn1cc(N2C(=O)/C(=C\c3ccccc3)SC2=S)cn1 ZINC000255540390 655793053 /nfs/dbraw/zinc/79/30/53/655793053.db2.gz CNJXITXZNPSEOJ-MDWZMJQESA-N 0 0 315.423 3.309 20 10 DGCDRN Cc1ccc(C(=O)N(C)Cc2cc3ccccc3o2)c(O)c1O ZINC000179533477 655908088 /nfs/dbraw/zinc/90/80/88/655908088.db2.gz YDAFMPVIKFQQDK-UHFFFAOYSA-N 0 0 311.337 3.425 20 10 DGCDRN O=C(/C=C/c1cncc(O)c1)N1CCc2ccc(Cl)cc21 ZINC000179533971 655908318 /nfs/dbraw/zinc/90/83/18/655908318.db2.gz WZDFFZJQOUDSSC-DAFODLJHSA-N 0 0 300.745 3.043 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C=C\c2cccc(F)c2)c1 ZINC000255868056 655920937 /nfs/dbraw/zinc/92/09/37/655920937.db2.gz OYVMKAMKKBGULV-OJIASSBASA-N 0 0 315.344 3.431 20 10 DGCDRN COCCCN(C)C(=O)c1sccc1-n1c(C)ccc1C ZINC000066338718 655947684 /nfs/dbraw/zinc/94/76/84/655947684.db2.gz MQTVJHKCLHFDTH-UHFFFAOYSA-N 0 0 306.431 3.264 20 10 DGCDRN Cc1cccc(/C=C2\SC(=S)N(Cc3ccon3)C2=O)c1 ZINC000178017929 655952544 /nfs/dbraw/zinc/95/25/44/655952544.db2.gz CFEXDUQXPOCHRG-JYRVWZFOSA-N 0 0 316.407 3.384 20 10 DGCDRN O=C1/C(=C\c2cccs2)SC(=S)N1Cc1ccon1 ZINC000178017990 655952560 /nfs/dbraw/zinc/95/25/60/655952560.db2.gz OCQJLKNXKPJBGR-UXBLZVDNSA-N 0 0 308.409 3.138 20 10 DGCDRN O=C1/C(=C/c2ccccc2F)SC(=S)N1Cc1ccon1 ZINC000178018114 655952564 /nfs/dbraw/zinc/95/25/64/655952564.db2.gz PBDNWTMUIZDKAH-GHXNOFRVSA-N 0 0 320.370 3.215 20 10 DGCDRN CNC(=O)c1cccc(COc2ccc(N3CCCC3)cc2)c1 ZINC000178193426 655958907 /nfs/dbraw/zinc/95/89/07/655958907.db2.gz RFJDAGUYBBGACH-UHFFFAOYSA-N 0 0 310.397 3.225 20 10 DGCDRN COc1ccc(-c2nnc(NCc3ccc(N(C)C)cc3)o2)cc1 ZINC000161926349 655964607 /nfs/dbraw/zinc/96/46/07/655964607.db2.gz ZPFFSGMFOCWXFR-UHFFFAOYSA-N 0 0 324.384 3.423 20 10 DGCDRN CC[C@H](CSC)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000181449320 655998916 /nfs/dbraw/zinc/99/89/16/655998916.db2.gz UFODAYOMUAARAM-OAHLLOKOSA-N 0 0 321.490 3.010 20 10 DGCDRN CCOCC(C)(C)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715804091 661214538 /nfs/dbraw/zinc/21/45/38/661214538.db2.gz MFBBSJIWNYJGON-UHFFFAOYSA-N 0 0 320.202 3.199 20 10 DGCDRN CN(C)C(=O)c1cccc(NCc2cc(Cl)ccc2O)c1 ZINC000037084521 661214811 /nfs/dbraw/zinc/21/48/11/661214811.db2.gz CLHCHGQABZJVEA-UHFFFAOYSA-N 0 0 304.777 3.360 20 10 DGCDRN COCCCC[N@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000715807879 661214894 /nfs/dbraw/zinc/21/48/94/661214894.db2.gz XEWLPIGBGOVEBT-UHFFFAOYSA-N 0 0 320.202 3.152 20 10 DGCDRN C[C@H]1SCC[C@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000309783731 656054646 /nfs/dbraw/zinc/05/46/46/656054646.db2.gz NNFCAUUVYBYZOY-LDYMZIIASA-N 0 0 302.237 3.138 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1N1CCCC1 ZINC000180622335 656094304 /nfs/dbraw/zinc/09/43/04/656094304.db2.gz RUZMKSILQGDJRA-CSKARUKUSA-N 0 0 324.380 3.350 20 10 DGCDRN O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc2c(c1)C(=O)CCC2 ZINC000180846704 656095226 /nfs/dbraw/zinc/09/52/26/656095226.db2.gz VJHVVKHDHZZWDS-WEVVVXLNSA-N 0 0 323.348 3.269 20 10 DGCDRN C[C@H]1c2ccccc2CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181051207 656097141 /nfs/dbraw/zinc/09/71/41/656097141.db2.gz RMEUDRBCPKCYCK-XOVSCCBYSA-N 0 0 309.365 3.257 20 10 DGCDRN CCCc1cnc(NC(=O)/C=C/c2ccc(O)c(O)c2)s1 ZINC000181320466 656098479 /nfs/dbraw/zinc/09/84/79/656098479.db2.gz FCXCMYUZLGNEIW-FNORWQNLSA-N 0 0 304.371 3.159 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](C)OCC2CC2)cc1F ZINC000066841143 656146600 /nfs/dbraw/zinc/14/66/00/656146600.db2.gz WDYPZKXOBZUJAU-CYBMUJFWSA-N 0 0 322.424 3.103 20 10 DGCDRN Cc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(F)c1 ZINC000190919139 656164396 /nfs/dbraw/zinc/16/43/96/656164396.db2.gz QIOVKHWMLIMYTD-LLVKDONJSA-N 0 0 318.348 3.298 20 10 DGCDRN C[C@H](NC(=O)[C@@H]1C[C@H]1C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000828861379 661232947 /nfs/dbraw/zinc/23/29/47/661232947.db2.gz OUSGLZGFBMKOCS-ZWKOPEQDSA-N 0 0 300.324 3.128 20 10 DGCDRN C[C@@H](NC(=O)[C@H]1CC12CCSCC2)c1ccc(N(C)C)cc1 ZINC000828862749 661233093 /nfs/dbraw/zinc/23/30/93/661233093.db2.gz YGPZPVFSAMWYNW-CZUORRHYSA-N 0 0 318.486 3.463 20 10 DGCDRN CCOC(=O)[C@H](C)OC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000725919201 656226853 /nfs/dbraw/zinc/22/68/53/656226853.db2.gz QKRHKJNZWGNLBW-AWEZNQCLSA-N 0 0 315.369 3.203 20 10 DGCDRN CCCN(C(=O)Cc1ccc(N)cc1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000236751955 656357760 /nfs/dbraw/zinc/35/77/60/656357760.db2.gz DFRKJOPWXFIGKJ-DLBZAZTESA-N 0 0 318.461 3.254 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Nc2ccncc2)cc1F ZINC000066906886 656361185 /nfs/dbraw/zinc/36/11/85/656361185.db2.gz SFLRFGFFABBFII-UHFFFAOYSA-N 0 0 316.380 3.389 20 10 DGCDRN NC(=O)Cc1ccc(NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000122195010 656523435 /nfs/dbraw/zinc/52/34/35/656523435.db2.gz JBEVDHWLUKOBNY-UHFFFAOYSA-N 0 0 323.440 3.317 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2c(F)cccc2F)cc1 ZINC000053984091 656566203 /nfs/dbraw/zinc/56/62/03/656566203.db2.gz IQGRNLKLQJMHKL-UHFFFAOYSA-N 0 0 305.328 3.353 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1cccc(Cl)c1 ZINC000006471391 656745183 /nfs/dbraw/zinc/74/51/83/656745183.db2.gz ZJNARJSPRSPNDN-UHFFFAOYSA-N 0 0 306.749 3.115 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1ccncc1 ZINC000054125758 656863938 /nfs/dbraw/zinc/86/39/38/656863938.db2.gz WXXNILFOHVNNKP-UHFFFAOYSA-N 0 0 311.410 3.481 20 10 DGCDRN CCOc1ccc(O)c(CN[C@@H](C)c2nc(C(C)(C)C)no2)c1 ZINC000236847226 656958783 /nfs/dbraw/zinc/95/87/83/656958783.db2.gz OBNUCSRANKWZJF-NSHDSACASA-N 0 0 319.405 3.322 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)/C=C/c2cccs2)cc1 ZINC000028335924 657062831 /nfs/dbraw/zinc/06/28/31/657062831.db2.gz OQFUEXFKEQXQFH-ZHACJKMWSA-N 0 0 300.427 3.486 20 10 DGCDRN COC(=O)Nc1cccc(NCc2cc(OC)ccc2O)c1 ZINC000237057135 657077262 /nfs/dbraw/zinc/07/72/62/657077262.db2.gz PNHSLQOFQAQGSI-UHFFFAOYSA-N 0 0 302.330 3.191 20 10 DGCDRN CN(c1ccc(CNC(=O)c2ccn[nH]2)cc1)C1CCCCC1 ZINC000067299546 657093272 /nfs/dbraw/zinc/09/32/72/657093272.db2.gz ZPVQEPLOKZZFOV-UHFFFAOYSA-N 0 0 312.417 3.109 20 10 DGCDRN Cc1ccc(NC(=O)CN(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000007360922 657501222 /nfs/dbraw/zinc/50/12/22/657501222.db2.gz FKJCVUGDIZWKRO-UHFFFAOYSA-N 0 0 311.429 3.132 20 10 DGCDRN Cc1cc(C(=O)NC[C@H](C)O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000097178139 657610910 /nfs/dbraw/zinc/61/09/10/657610910.db2.gz LZESYZKXHXLEEA-AWEZNQCLSA-N 0 0 314.429 3.328 20 10 DGCDRN C[C@@H](Sc1nccs1)C(=O)c1ccc2c(c1)CC(=O)N2C ZINC000163267644 657754703 /nfs/dbraw/zinc/75/47/03/657754703.db2.gz RKTKHMCXNXWRNE-SECBINFHSA-N 0 0 318.423 3.026 20 10 DGCDRN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@@H]1CCC[C@H]1O ZINC000305743466 657996103 /nfs/dbraw/zinc/99/61/03/657996103.db2.gz KAKGMIGYFIHDAY-TVQRCGJNSA-N 0 0 304.217 3.292 20 10 DGCDRN COc1ccc([C@H]2Nc3cc(Cl)ccc3C(=O)N2C)c(O)c1 ZINC000054441464 658313691 /nfs/dbraw/zinc/31/36/91/658313691.db2.gz TUVVSINAINHVKT-HNNXBMFYSA-N 0 0 318.760 3.251 20 10 DGCDRN CC(C)COCCC[NH2+]Cc1cccc(Br)c1[O-] ZINC000042411811 658772488 /nfs/dbraw/zinc/77/24/88/658772488.db2.gz NHECCDMFSRGTEW-UHFFFAOYSA-N 0 0 316.239 3.307 20 10 DGCDRN C[C@@H]([NH2+]Cc1cccc(Br)c1[O-])c1cccnc1 ZINC000042411780 658772496 /nfs/dbraw/zinc/77/24/96/658772496.db2.gz WYVUQCLNZKUDAS-SNVBAGLBSA-N 0 0 307.191 3.401 20 10 DGCDRN Cc1cc(C(=O)CSc2cn[nH]n2)c(C)n1-c1ccccc1 ZINC000155959115 658865792 /nfs/dbraw/zinc/86/57/92/658865792.db2.gz KLJIQCHICSCYEK-UHFFFAOYSA-N 0 0 312.398 3.187 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2C[C@H](C)OC(C)(C)C2)c1O ZINC000045698596 659030354 /nfs/dbraw/zinc/03/03/54/659030354.db2.gz RGYHXLXTSIVVCM-JTQLQIEISA-N 0 0 311.809 3.248 20 10 DGCDRN Cc1cc(C(=O)NC[C@H]2CCCO2)c(C)n1-c1cccc(C)c1 ZINC000046467319 659123229 /nfs/dbraw/zinc/12/32/29/659123229.db2.gz QLBVYISFUDIVHN-QGZVFWFLSA-N 0 0 312.413 3.311 20 10 DGCDRN NC(=O)CSc1ccccc1NCc1cccc(Cl)c1O ZINC000158055811 659134672 /nfs/dbraw/zinc/13/46/72/659134672.db2.gz QQBNOYGQYJIGEQ-UHFFFAOYSA-N 0 0 322.817 3.235 20 10 DGCDRN CCN(CC)c1ccc(CNc2ncccc2[N+](=O)[O-])cc1 ZINC000076844859 659303858 /nfs/dbraw/zinc/30/38/58/659303858.db2.gz LEVDIINNGXXHJO-UHFFFAOYSA-N 0 0 300.362 3.448 20 10 DGCDRN CS[C@H](C(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000172402333 659333371 /nfs/dbraw/zinc/33/33/71/659333371.db2.gz QZPXXQYBZZCTRD-INIZCTEOSA-N 0 0 301.411 3.455 20 10 DGCDRN CCC[N@H+](CC(=O)N1[C@H](C)CCC[C@@H]1C)Cc1ccccc1O ZINC000174372382 659429828 /nfs/dbraw/zinc/42/98/28/659429828.db2.gz SEXOQRJURNCEKB-IYBDPMFKSA-N 0 0 318.461 3.394 20 10 DGCDRN Cc1csc(NC(=O)NCc2c(O)ccc3c2CCCC3)n1 ZINC000174353761 659430780 /nfs/dbraw/zinc/43/07/80/659430780.db2.gz QKDJUXGMTFSDNY-UHFFFAOYSA-N 0 0 317.414 3.358 20 10 DGCDRN Cc1cnc(NC(=O)NCc2c(O)ccc3c2CCCC3)s1 ZINC000174517361 659437238 /nfs/dbraw/zinc/43/72/38/659437238.db2.gz DVJGVQFTUNKHQJ-UHFFFAOYSA-N 0 0 317.414 3.358 20 10 DGCDRN CCc1onc(C)c1CN1CCOc2cc(N(C)C)ccc21 ZINC000930124004 659911146 /nfs/dbraw/zinc/91/11/46/659911146.db2.gz DVRSVIVQHXQCNX-UHFFFAOYSA-N 0 0 301.390 3.010 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@H]2C[C@]23CCc2ccccc23)cc1 ZINC000175012838 659915105 /nfs/dbraw/zinc/91/51/05/659915105.db2.gz GMOQLPMIKZEAHY-CTNGQTDRSA-N 0 0 320.436 3.273 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C)cc2F)c1 ZINC000175263448 659918147 /nfs/dbraw/zinc/91/81/47/659918147.db2.gz DKOGPPBMYWHXGI-NSHDSACASA-N 0 0 303.333 3.339 20 10 DGCDRN CC(=O)c1cc(F)cc(CN(C[C@H](C)O)c2ccccc2)c1O ZINC000175626531 659926591 /nfs/dbraw/zinc/92/65/91/659926591.db2.gz KCIZKKSQLNYPQS-LBPRGKRZSA-N 0 0 317.360 3.121 20 10 DGCDRN Cc1c(C(=O)N(C)Cc2ccc(N(C)C)cc2)cnn1C(C)C ZINC000179784009 659941851 /nfs/dbraw/zinc/94/18/51/659941851.db2.gz PCXGUWMVSHDPDS-UHFFFAOYSA-N 0 0 314.433 3.111 20 10 DGCDRN COC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000179892589 659944915 /nfs/dbraw/zinc/94/49/15/659944915.db2.gz XAWOFLQSFXIKTF-LLVKDONJSA-N 0 0 318.200 3.227 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CC23CCCCC3)cc1 ZINC000180031262 659949639 /nfs/dbraw/zinc/94/96/39/659949639.db2.gz UAWPQSHAGWCXIX-MRXNPFEDSA-N 0 0 301.434 3.275 20 10 DGCDRN CCc1ccc([C@H]2COCCN2Cc2cccc(C)c2O)o1 ZINC000180289375 659958054 /nfs/dbraw/zinc/95/80/54/659958054.db2.gz YZZHKDLCFIHFMH-MRXNPFEDSA-N 0 0 301.386 3.430 20 10 DGCDRN C[C@H](c1ccc(F)cc1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180612243 659966254 /nfs/dbraw/zinc/96/62/54/659966254.db2.gz LZMUWIGFKXUZPG-LHJMJDNXSA-N 0 0 315.344 3.470 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCc1cccc2cccnc21 ZINC000068885676 659967320 /nfs/dbraw/zinc/96/73/20/659967320.db2.gz OBCJYABIZMAAIZ-UHFFFAOYSA-N 0 0 321.380 3.282 20 10 DGCDRN Cc1cccc(C(C)(C)NC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000180796663 659970560 /nfs/dbraw/zinc/97/05/60/659970560.db2.gz NBXSBUGCFLEBCS-CSKARUKUSA-N 0 0 311.381 3.471 20 10 DGCDRN Cc1ccc(C[C@@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)s1 ZINC000180799353 659970868 /nfs/dbraw/zinc/97/08/68/659970868.db2.gz HVKCYHHRFSTIFN-AYLMVEPYSA-N 0 0 317.410 3.228 20 10 DGCDRN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@@H](C)c1ccccc1 ZINC000180839881 659972743 /nfs/dbraw/zinc/97/27/43/659972743.db2.gz NTXSPAHZFBFRGY-CACDNMLQSA-N 0 0 311.381 3.419 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1ccnc(Cl)c1 ZINC000181125900 659981796 /nfs/dbraw/zinc/98/17/96/659981796.db2.gz GJUMAMDOUKTFBE-UHFFFAOYSA-N 0 0 303.793 3.200 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)CCc1ccc2[nH]ccc2c1 ZINC000181301547 659992728 /nfs/dbraw/zinc/99/27/28/659992728.db2.gz DAJUSQQHELEEAU-UHFFFAOYSA-N 0 0 308.381 3.465 20 10 DGCDRN Cc1csc([C@@H](C)NC(=O)N(C)Cc2ccccc2O)n1 ZINC000069829096 660024633 /nfs/dbraw/zinc/02/46/33/660024633.db2.gz GYMLDAQUHBYFPF-LLVKDONJSA-N 0 0 305.403 3.060 20 10 DGCDRN COc1ccc(F)cc1[C@H](C)NC(=O)c1ccc(C)c(O)c1O ZINC000182118932 660035045 /nfs/dbraw/zinc/03/50/45/660035045.db2.gz DJAOFKRZYTVJDO-JTQLQIEISA-N 0 0 319.332 3.045 20 10 DGCDRN COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)c1 ZINC000182361071 660045734 /nfs/dbraw/zinc/04/57/34/660045734.db2.gz RPUCGTLPABGKMK-LLVKDONJSA-N 0 0 300.333 3.262 20 10 DGCDRN CCN(CC)c1ccc(CN[C@@H](C)c2nccn2C)cc1F ZINC000182918774 660090721 /nfs/dbraw/zinc/09/07/21/660090721.db2.gz KGVZPBBRMUZPGS-ZDUSSCGKSA-N 0 0 304.413 3.256 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(F)cc1F ZINC000183418019 660109869 /nfs/dbraw/zinc/10/98/69/660109869.db2.gz UJPCFPZACJTXFG-JTQLQIEISA-N 0 0 321.323 3.045 20 10 DGCDRN Cc1ccc(C)c(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000183429880 660110605 /nfs/dbraw/zinc/11/06/05/660110605.db2.gz JBDQNQBPFCELLN-CQSZACIVSA-N 0 0 313.397 3.005 20 10 DGCDRN Cc1ccnc(NC(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000184088028 660154237 /nfs/dbraw/zinc/15/42/37/660154237.db2.gz GHKGCGPZWGSTTI-UHFFFAOYSA-N 0 0 310.401 3.094 20 10 DGCDRN Cc1cccc2ncnc(N[C@H](C)Cc3ccc(O)c(O)c3)c12 ZINC000184147041 660156740 /nfs/dbraw/zinc/15/67/40/660156740.db2.gz LAEBZYQZTDZFLT-GFCCVEGCSA-N 0 0 309.369 3.393 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2cnc(F)c(Cl)c2)cc1 ZINC000929527975 661315555 /nfs/dbraw/zinc/31/55/55/661315555.db2.gz ZKRJXRQZKURDLA-UHFFFAOYSA-N 0 0 321.783 3.212 20 10 DGCDRN C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000929531896 661315639 /nfs/dbraw/zinc/31/56/39/661315639.db2.gz JWMWMEVDOJTUAM-IIVZCXTMSA-N 0 0 300.446 3.393 20 10 DGCDRN CCC1(CC(=O)NCc2ccc(N3CCCCC3)cc2)COC1 ZINC000930936181 661440460 /nfs/dbraw/zinc/44/04/60/661440460.db2.gz ZHDTZLGXLKOKCD-UHFFFAOYSA-N 0 0 316.445 3.110 20 10 DGCDRN Cn1cnc(/C=C/C(=O)N2CC3(CCC3)c3c2cccc3F)c1 ZINC000931526608 661485043 /nfs/dbraw/zinc/48/50/43/661485043.db2.gz AGOLDEWQKYYOPZ-VOTSOKGWSA-N 0 0 311.360 3.041 20 10 DGCDRN CC(C)c1ncsc1NC(=O)NCc1c(O)cccc1F ZINC000931666203 661495733 /nfs/dbraw/zinc/49/57/33/661495733.db2.gz LQAJYFWSNNKAFK-UHFFFAOYSA-N 0 0 309.366 3.433 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CCn3cccc3C2)c1O ZINC000932532171 661576139 /nfs/dbraw/zinc/57/61/39/661576139.db2.gz JWNOMQFDWZPKCO-UHFFFAOYSA-N 0 0 304.777 3.066 20 10 DGCDRN Cc1cnc(C(=O)NCCCSc2nccs2)cc1C ZINC000932686925 661591406 /nfs/dbraw/zinc/59/14/06/661591406.db2.gz NNJNAHVTFXMUHV-UHFFFAOYSA-N 0 0 307.444 3.067 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@]12CCO[C@@H]1CCCC2 ZINC000932943638 661611225 /nfs/dbraw/zinc/61/12/25/661611225.db2.gz ODHCDZKFNDOISY-MJGOQNOKSA-N 0 0 316.445 3.027 20 10 DGCDRN COCCC1(CNC(=O)c2ccc(C)c(O)c2O)CCCCC1 ZINC000187477310 661683335 /nfs/dbraw/zinc/68/33/35/661683335.db2.gz IALZWLLRHJCSCI-UHFFFAOYSA-N 0 0 321.417 3.123 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)Nc1noc2c1CCCC2 ZINC000934342700 661699484 /nfs/dbraw/zinc/69/94/84/661699484.db2.gz BGAVAIKJBNMABJ-UHFFFAOYSA-N 0 0 321.764 3.234 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)Nc1noc2c1CCCC2 ZINC000934347616 661700728 /nfs/dbraw/zinc/70/07/28/661700728.db2.gz VJMUDJIDHCQRHO-UHFFFAOYSA-N 0 0 321.764 3.234 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cccc2c1OCC2 ZINC000934706918 661728404 /nfs/dbraw/zinc/72/84/04/661728404.db2.gz UJHGDMFJAZFQEM-UHFFFAOYSA-N 0 0 311.381 3.380 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)c2cccc(O)c2)c1 ZINC000934941020 661750392 /nfs/dbraw/zinc/75/03/92/661750392.db2.gz VDGQBASLCOBBCW-VXGBXAGGSA-N 0 0 315.369 3.087 20 10 DGCDRN Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1C ZINC000041374020 661833995 /nfs/dbraw/zinc/83/39/95/661833995.db2.gz UHDBHXWPENVBPK-UHFFFAOYSA-N 0 0 310.397 3.392 20 10 DGCDRN Cc1cc(C(=O)Nc2ccn(C)n2)c(C)n1-c1ccc(F)cc1 ZINC000041998120 661837562 /nfs/dbraw/zinc/83/75/62/661837562.db2.gz RXGDMACZAXFXKV-UHFFFAOYSA-N 0 0 312.348 3.219 20 10 DGCDRN CCOc1ccc(O)c([C@H]2Nc3ccccc3C(=O)N2CC)c1 ZINC000042186096 661838657 /nfs/dbraw/zinc/83/86/57/661838657.db2.gz KMQQJDOCKWBSKW-KRWDZBQOSA-N 0 0 312.369 3.377 20 10 DGCDRN COCCN(C)C(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000155220145 661843994 /nfs/dbraw/zinc/84/39/94/661843994.db2.gz BOLOWVMEPUAJJJ-UHFFFAOYSA-N 0 0 300.402 3.121 20 10 DGCDRN COc1ccc(C(F)(F)C(=O)N(C)Cc2ccccc2O)cc1 ZINC000156822726 661864915 /nfs/dbraw/zinc/86/49/15/661864915.db2.gz BEXBRXZXSSCBSN-UHFFFAOYSA-N 0 0 321.323 3.151 20 10 DGCDRN C[C@@H]1CCC[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000047036093 661871055 /nfs/dbraw/zinc/87/10/55/661871055.db2.gz JCXYGTZWFHFQAT-ZBFHGGJFSA-N 0 0 303.450 3.473 20 10 DGCDRN Cc1cc(C(=O)Cn2nccc2[N+](=O)[O-])c(C)n1-c1ccccc1 ZINC000047169448 661872337 /nfs/dbraw/zinc/87/23/37/661872337.db2.gz XRJCQFNFZZOBER-UHFFFAOYSA-N 0 0 324.340 3.082 20 10 DGCDRN Cc1c2cccc(C)c2oc1C(=O)NCc1ccc(O)c(O)c1 ZINC000158919521 661880346 /nfs/dbraw/zinc/88/03/46/661880346.db2.gz JCHVNAXOHDSAIZ-UHFFFAOYSA-N 0 0 311.337 3.391 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2cc(C)cc(Cl)c2)c1 ZINC000159764772 661894971 /nfs/dbraw/zinc/89/49/71/661894971.db2.gz DTKXSJHVNGGBDK-UHFFFAOYSA-N 0 0 305.761 3.293 20 10 DGCDRN O=C(CSc1nccs1)c1ccc2c(c1)CCC(=O)N2 ZINC000048874850 661896770 /nfs/dbraw/zinc/89/67/70/661896770.db2.gz DLIVGCGYDAKQSU-UHFFFAOYSA-N 0 0 304.396 3.003 20 10 DGCDRN CCOC(C)(C)CNC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000187638160 661901665 /nfs/dbraw/zinc/90/16/65/661901665.db2.gz WBCZECYLRYGSAD-UHFFFAOYSA-N 0 0 321.465 3.147 20 10 DGCDRN Cc1c(Cl)cccc1OCC(=O)N(C)Cc1ccccc1O ZINC000076991057 662014496 /nfs/dbraw/zinc/01/44/96/662014496.db2.gz YIQWBAXBBIOBKZ-UHFFFAOYSA-N 0 0 319.788 3.391 20 10 DGCDRN CC(C)C1(C)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000190317587 662028046 /nfs/dbraw/zinc/02/80/46/662028046.db2.gz DQUFDCJIEYNQJO-FNORWQNLSA-N 0 0 303.402 3.396 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NCCCSC)cc1 ZINC000077667806 662035991 /nfs/dbraw/zinc/03/59/91/662035991.db2.gz DEOGTYKCHUVRLV-UHFFFAOYSA-N 0 0 309.479 3.085 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1c(F)cccc1F ZINC000190916695 662049320 /nfs/dbraw/zinc/04/93/20/662049320.db2.gz RLBUWGQWHMKWIN-SECBINFHSA-N 0 0 322.311 3.129 20 10 DGCDRN Cc1cc(F)ccc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000190922621 662049369 /nfs/dbraw/zinc/04/93/69/662049369.db2.gz HFXREGQFFJWNGE-NSHDSACASA-N 0 0 318.348 3.298 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2coc(-c3ccccc3)n2)cc1 ZINC000078041066 662050600 /nfs/dbraw/zinc/05/06/00/662050600.db2.gz CZFFFFGZAQXLQU-UHFFFAOYSA-N 0 0 321.380 3.338 20 10 DGCDRN Cc1noc2ncnc(NCc3c(O)ccc4c3CCCC4)c12 ZINC000192467781 662099459 /nfs/dbraw/zinc/09/94/59/662099459.db2.gz FPOORJVNQULSSV-UHFFFAOYSA-N 0 0 310.357 3.123 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)Oc1cnn(C)c1 ZINC000192884901 662114550 /nfs/dbraw/zinc/11/45/50/662114550.db2.gz MZNNWJOCPWJGQX-UHFFFAOYSA-N 0 0 301.371 3.108 20 10 DGCDRN CCO[C@@H]1C[C@H](N(C)C(=O)c2cccc(O)c2O)C1(CC)CC ZINC000193129732 662123682 /nfs/dbraw/zinc/12/36/82/662123682.db2.gz IDASIWHHACTCOG-LSDHHAIUSA-N 0 0 321.417 3.154 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCCOC(F)F ZINC000193663895 662144532 /nfs/dbraw/zinc/14/45/32/662144532.db2.gz RRSLWSCLFBEWBG-UHFFFAOYSA-N 0 0 300.132 3.418 20 10 DGCDRN Cn1cccc1C(=O)CN1CCCc2cc(OC(F)F)ccc21 ZINC000193988891 662154228 /nfs/dbraw/zinc/15/42/28/662154228.db2.gz JXOLEABPKWGBPP-UHFFFAOYSA-N 0 0 320.339 3.262 20 10 DGCDRN Cc1nc(Cl)ccc1NC(=O)N(C)Cc1ccccc1O ZINC000194663521 662170853 /nfs/dbraw/zinc/17/08/53/662170853.db2.gz QZKHSPDVPSBLGH-UHFFFAOYSA-N 0 0 305.765 3.413 20 10 DGCDRN Cc1ncc(-c2ccc(NC(=O)Cc3ccc(N)cc3)cc2)o1 ZINC000195184153 662179841 /nfs/dbraw/zinc/17/98/41/662179841.db2.gz MHLNASURIXWWLE-UHFFFAOYSA-N 0 0 307.353 3.413 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CCSCC1 ZINC000195475069 662190686 /nfs/dbraw/zinc/19/06/86/662190686.db2.gz ISCLPKRYEZKZQV-UHFFFAOYSA-N 0 0 321.490 3.180 20 10 DGCDRN COC[C@H](C)CNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000195698541 662192940 /nfs/dbraw/zinc/19/29/40/662192940.db2.gz MIFVMQRDIYTCGH-CYBMUJFWSA-N 0 0 314.429 3.415 20 10 DGCDRN CC(C)C[C@@H](C)OCCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000087209981 662224406 /nfs/dbraw/zinc/22/44/06/662224406.db2.gz IDWFSBFHJZYZOJ-CQSZACIVSA-N 0 0 324.440 3.349 20 10 DGCDRN COc1cccc(CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)c1O ZINC000245556413 662236075 /nfs/dbraw/zinc/23/60/75/662236075.db2.gz SBMASLCXTGGMMQ-HDJSIYSDSA-N 0 0 305.418 3.479 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)c1 ZINC000246773940 662278195 /nfs/dbraw/zinc/27/81/95/662278195.db2.gz PAMLVYSFKQWLRC-TYNCELHUSA-N 0 0 306.406 3.025 20 10 DGCDRN COCCCN(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000247826093 662328535 /nfs/dbraw/zinc/32/85/35/662328535.db2.gz FVAJHTBNCNVLNK-UHFFFAOYSA-N 0 0 300.402 3.203 20 10 DGCDRN c1cc(N2CCCCC2)ccc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000093645257 662358095 /nfs/dbraw/zinc/35/80/95/662358095.db2.gz JWBGAPRFTYGPAT-LJQANCHMSA-N 0 0 300.446 3.288 20 10 DGCDRN CCc1c[nH]c2ncnc(N[C@H](C)c3cc(OC)ccc3O)c12 ZINC000892331638 685303291 /nfs/dbraw/zinc/30/32/91/685303291.db2.gz XZVUZAGUQUOBSQ-SNVBAGLBSA-N 0 0 312.373 3.408 20 10 DGCDRN CC(C)(C)c1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000012019923 685046690 /nfs/dbraw/zinc/04/66/90/685046690.db2.gz OBVHTLHDSMLLRG-UHFFFAOYSA-N 0 0 313.397 3.368 20 10 DGCDRN O=C1N[C@@H](c2cc(Br)ccc2O)Nc2ccccc21 ZINC000041863646 685048093 /nfs/dbraw/zinc/04/80/93/685048093.db2.gz MIQLMOQOXGVYAG-ZDUSSCGKSA-N 0 0 319.158 3.009 20 10 DGCDRN CCO[C@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000140397932 685077331 /nfs/dbraw/zinc/07/73/31/685077331.db2.gz IWVLPACCZRIYKZ-SFHVURJKSA-N 0 0 312.413 3.147 20 10 DGCDRN CCNC(=O)c1ccc(NCc2cc(F)ccc2O)c(C)c1 ZINC000389564996 685194490 /nfs/dbraw/zinc/19/44/90/685194490.db2.gz YRGHLBJIMWTJST-UHFFFAOYSA-N 0 0 302.349 3.202 20 10 DGCDRN C[C@H]1CC[C@H]([NH2+]Cc2ccccc2O)CN1C(=O)OC(C)(C)C ZINC000399181851 685240056 /nfs/dbraw/zinc/24/00/56/685240056.db2.gz LWKFJBOEJGBVLO-ZFWWWQNUSA-N 0 0 320.433 3.270 20 10 DGCDRN Cc1cccc(CC(=O)NCCc2ccc(N)cc2)c1Cl ZINC001579759655 1191991466 /nfs/dbraw/zinc/99/14/66/1191991466.db2.gz QRAFXLWLNKUYAL-UHFFFAOYSA-N 0 0 302.805 3.132 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCCN(c2ccccc2)C1 ZINC001620801409 1192083213 /nfs/dbraw/zinc/08/32/13/1192083213.db2.gz BMYJACVJAIACOZ-OAHLLOKOSA-N 0 0 318.367 3.429 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2cnc(C)o2)cc1 ZINC001584771096 1192219957 /nfs/dbraw/zinc/21/99/57/1192219957.db2.gz OHYOUXKFVUZFET-UHFFFAOYSA-N 0 0 309.369 3.321 20 10 DGCDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccccc1O ZINC001587446928 1192400340 /nfs/dbraw/zinc/40/03/40/1192400340.db2.gz CLRDWYDWERTQGF-GFCCVEGCSA-N 0 0 314.341 3.408 20 10 DGCDRN COc1ccccc1C(F)(F)C(=O)N[C@@H](C)c1ccccc1O ZINC001587451172 1192400893 /nfs/dbraw/zinc/40/08/93/1192400893.db2.gz KPGFOCANFYZQLY-NSHDSACASA-N 0 0 321.323 3.370 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)c2ccccc2O)cc(NC2CC2)n1 ZINC001587450959 1192401022 /nfs/dbraw/zinc/40/10/22/1192401022.db2.gz BXFQSTVGUQNKGL-LBPRGKRZSA-N 0 0 311.385 3.161 20 10 DGCDRN O=C(c1cc2ccccc2cc1O)N1Cc2cccc(O)c2C1 ZINC001587928736 1192425577 /nfs/dbraw/zinc/42/55/77/1192425577.db2.gz RXVICAGMKQDFRB-UHFFFAOYSA-N 0 0 305.333 3.407 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC001593872970 1192640801 /nfs/dbraw/zinc/64/08/01/1192640801.db2.gz IOSQOZICKDGRTF-VBNZEHGJSA-N 0 0 303.402 3.321 20 10 DGCDRN Cc1oc(C(C)(C)C)cc1C(=O)NCc1cc(O)ccc1O ZINC001593882572 1192640895 /nfs/dbraw/zinc/64/08/95/1192640895.db2.gz YZPUJGDGOPNDSU-UHFFFAOYSA-N 0 0 303.358 3.227 20 10 DGCDRN Cc1[nH]c2ccc(C(=O)NCc3cc(O)ccc3O)cc2c1C ZINC001593873569 1192641069 /nfs/dbraw/zinc/64/10/69/1192641069.db2.gz RVWRIXQLMDAYDC-UHFFFAOYSA-N 0 0 310.353 3.126 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccsc1C(F)F ZINC001595752990 1192669374 /nfs/dbraw/zinc/66/93/74/1192669374.db2.gz VWILERHLHOQXDJ-UHFFFAOYSA-N 0 0 313.325 3.069 20 10 DGCDRN Cn1cnc(/C=C/C(=O)N2CC(C)(C)c3cc(Cl)ccc32)c1 ZINC001596344234 1192690675 /nfs/dbraw/zinc/69/06/75/1192690675.db2.gz HEQNXWZSPZVITL-FNORWQNLSA-N 0 0 315.804 3.411 20 10 DGCDRN Cc1cc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)no1 ZINC001596483089 1192694475 /nfs/dbraw/zinc/69/44/75/1192694475.db2.gz RPBHBOLGNVKMGW-UHFFFAOYSA-N 0 0 309.369 3.321 20 10 DGCDRN CO[C@@H]1C[C@H]1C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001596481823 1192694889 /nfs/dbraw/zinc/69/48/89/1192694889.db2.gz GXQPCJKADGYZTO-QZTJIDSGSA-N 0 0 312.413 3.054 20 10 DGCDRN CC(C)COc1cccc(C(=O)NCc2c(O)cccc2F)c1 ZINC001596906605 1192710139 /nfs/dbraw/zinc/71/01/39/1192710139.db2.gz HISCTFWMENWVRC-UHFFFAOYSA-N 0 0 317.360 3.496 20 10 DGCDRN Cc1cc(C)cc(CNC(=O)NCc2c(O)cccc2F)c1 ZINC001687145334 1176032058 /nfs/dbraw/zinc/03/20/58/1176032058.db2.gz OVZRIYGFQVLZKZ-UHFFFAOYSA-N 0 0 302.349 3.148 20 10 DGCDRN CSc1ccc(NC(=O)NCc2cc(C)ccc2O)nc1 ZINC001670658799 1176206178 /nfs/dbraw/zinc/20/61/78/1176206178.db2.gz ZUAJYFZOGJGQLT-UHFFFAOYSA-N 0 0 303.387 3.139 20 10 DGCDRN O=C(NCc1c(O)cccc1O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC001597574507 1192739112 /nfs/dbraw/zinc/73/91/12/1192739112.db2.gz OEHLKPHDBRVHTR-BFHYXJOUSA-N 0 0 303.402 3.321 20 10 DGCDRN Cc1cc(C(=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC001600116862 1192791285 /nfs/dbraw/zinc/79/12/85/1192791285.db2.gz MZCWYKHKQSKNNA-CYBMUJFWSA-N 0 0 311.381 3.479 20 10 DGCDRN Cc1cc(Cl)cc(C[NH2+][C@@H](C(=O)[O-])c2ccccc2F)c1O ZINC001600218890 1192812178 /nfs/dbraw/zinc/81/21/78/1192812178.db2.gz DZGICPIRHGIUNS-CQSZACIVSA-N 0 0 323.751 3.409 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[N@@H+]1CCc2ccccc2[C@H]1C(=O)[O-] ZINC001600237226 1192816445 /nfs/dbraw/zinc/81/64/45/1192816445.db2.gz VEWVEVLPUBKUFV-IBGZPJMESA-N 0 0 324.424 3.245 20 10 DGCDRN O=C(C=Cc1ccc(O)c(O)c1)Nc1cccc2c1C(=O)CCC2 ZINC001179687513 1177804332 /nfs/dbraw/zinc/80/43/32/1177804332.db2.gz MEYIFAZCXVGLMM-CSKARUKUSA-N 0 0 323.348 3.269 20 10 DGCDRN C[C@H]1C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)c2ccccc21 ZINC001179689569 1177804823 /nfs/dbraw/zinc/80/48/23/1177804823.db2.gz SLMMFGWYYPVLML-BUCOOAGHSA-N 0 0 309.365 3.476 20 10 DGCDRN Nc1cccc2cccc(NC(=O)/C=C/c3ccc(O)c(O)c3)c12 ZINC001179687537 1177805099 /nfs/dbraw/zinc/80/50/99/1177805099.db2.gz NQGGVYKGTRDOMU-CSKARUKUSA-N 0 0 320.348 3.485 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1ccccc1O ZINC001330925447 1178093799 /nfs/dbraw/zinc/09/37/99/1178093799.db2.gz XAMFGBMYUUFLFY-WFFHOREQSA-N 0 0 310.344 3.186 20 10 DGCDRN Cc1ccc(O)c(C[NH2+][C@H](C)[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC001600464646 1192858412 /nfs/dbraw/zinc/85/84/12/1192858412.db2.gz HIGUMJXUHQMHIJ-PBHICJAKSA-N 0 0 313.397 3.122 20 10 DGCDRN Cc1cc(CN2CCc3ncncc3C2)c(O)c(C(C)(C)C)c1 ZINC001331508338 1178231480 /nfs/dbraw/zinc/23/14/80/1178231480.db2.gz IASBEQYMHIXABI-UHFFFAOYSA-N 0 0 311.429 3.346 20 10 DGCDRN C[C@@H](NC(=O)c1cn(C)cc1C(F)(F)F)c1ccccc1O ZINC001333517462 1178618628 /nfs/dbraw/zinc/61/86/28/1178618628.db2.gz AEWYYDKFGFEJRY-SECBINFHSA-N 0 0 312.291 3.241 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCC[C@@H]1CCC(F)(F)C1 ZINC001333619992 1178640361 /nfs/dbraw/zinc/64/03/61/1178640361.db2.gz YUBIKQGIUDZXFC-QQHVMHFCSA-N 0 0 311.328 3.053 20 10 DGCDRN COc1ccc(CN2CCc3cc(F)ccc32)c(O)c1OC ZINC001333761949 1178669334 /nfs/dbraw/zinc/66/93/34/1178669334.db2.gz JFLAKXCOGRYPAT-UHFFFAOYSA-N 0 0 303.333 3.111 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC1(C(F)(F)F)CC1 ZINC001333850027 1178684546 /nfs/dbraw/zinc/68/45/46/1178684546.db2.gz VJDIVUDFXWRICL-UHFFFAOYSA-N 0 0 316.323 3.409 20 10 DGCDRN [O-]c1cccc(F)c1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001334319920 1178748572 /nfs/dbraw/zinc/74/85/72/1178748572.db2.gz RKUALHGTIVWHMH-UHFFFAOYSA-N 0 0 300.377 3.421 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC1(C2CCCCC2)CC1 ZINC001335372634 1178901276 /nfs/dbraw/zinc/90/12/76/1178901276.db2.gz DPHMAQQXHZHMOD-VQHVLOKHSA-N 0 0 301.386 3.340 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccsc2)cc1 ZINC001335402286 1178904998 /nfs/dbraw/zinc/90/49/98/1178904998.db2.gz ZGJSQAURCICQJF-JKSUJKDBSA-N 0 0 300.427 3.234 20 10 DGCDRN Cc1cccnc1[C@@H](NC(=O)NCc1ccc(N)cc1)C(C)C ZINC001335502004 1178923175 /nfs/dbraw/zinc/92/31/75/1178923175.db2.gz XATAXOPNIRXMBR-INIZCTEOSA-N 0 0 312.417 3.169 20 10 DGCDRN CCCN(CCc1cccs1)C(=O)NCc1ccc(N)cc1 ZINC001335723815 1178944998 /nfs/dbraw/zinc/94/49/98/1178944998.db2.gz BVPDSYTXXBXEIK-UHFFFAOYSA-N 0 0 317.458 3.495 20 10 DGCDRN C[C@@H]1c2sccc2CCN1C(=O)NCc1ccc(N)cc1 ZINC001335737751 1178946691 /nfs/dbraw/zinc/94/66/91/1178946691.db2.gz UMIRACKNSFNTCR-LLVKDONJSA-N 0 0 301.415 3.159 20 10 DGCDRN CCN(C(=O)NCc1ccc(N)cc1)[C@H](C)Cc1ccsc1 ZINC001335737379 1178946954 /nfs/dbraw/zinc/94/69/54/1178946954.db2.gz OQXUKVHNTHWGTG-CYBMUJFWSA-N 0 0 317.458 3.493 20 10 DGCDRN Nc1ccc(CNC(=O)N2CC[C@@H](c3ccccc3F)C2)cc1 ZINC001335737258 1178947071 /nfs/dbraw/zinc/94/70/71/1178947071.db2.gz NRBZRQMQEDJODX-CQSZACIVSA-N 0 0 313.376 3.107 20 10 DGCDRN Cc1nc(CC(=O)Nc2c3nonc3ccc2Cl)c(C)s1 ZINC001342949888 1179214998 /nfs/dbraw/zinc/21/49/98/1179214998.db2.gz DIMYBHYCVGKWQJ-UHFFFAOYSA-N 0 0 322.777 3.131 20 10 DGCDRN C[C@@H](Nc1nc(Cl)nc2nc[nH]c21)c1ccc(N(C)C)cc1 ZINC001343001297 1179223165 /nfs/dbraw/zinc/22/31/65/1179223165.db2.gz NYCGEFVRHVXYSW-SECBINFHSA-N 0 0 316.796 3.245 20 10 DGCDRN O=C(NCCC1CC(F)(F)C1)NCc1cccc(Cl)c1O ZINC001343204199 1179244519 /nfs/dbraw/zinc/24/45/19/1179244519.db2.gz JEBMHKNZEJXJTO-UHFFFAOYSA-N 0 0 318.751 3.280 20 10 DGCDRN CO[C@@H]1CC[C@H]([NH2+]Cc2cc(C)cc(Br)c2[O-])C1 ZINC001343464729 1179280675 /nfs/dbraw/zinc/28/06/75/1179280675.db2.gz QFOALMBNSKIEIM-NWDGAFQWSA-N 0 0 314.223 3.120 20 10 DGCDRN Nc1ccc(CNC(=O)c2oc(C3CC3)nc2C(F)F)cc1 ZINC001343495267 1179285103 /nfs/dbraw/zinc/28/51/03/1179285103.db2.gz NZBYCPNKVOMKCZ-UHFFFAOYSA-N 0 0 307.300 3.002 20 10 DGCDRN O=C([O-])[C@@H]1CCC[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC001601808770 1192946604 /nfs/dbraw/zinc/94/66/04/1192946604.db2.gz OFKFFPMTVMDASK-IAGOWNOFSA-N 0 0 311.381 3.402 20 10 DGCDRN CC(C)Cn1c(C2SC=CC2=O)nnc1N1CC=CCC1 ZINC001344502605 1179442837 /nfs/dbraw/zinc/44/28/37/1179442837.db2.gz QCKHSQJQAYXUIL-UHFFFAOYSA-N 0 0 304.419 3.135 20 10 DGCDRN CC(=O)N[C@H](C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)o1 ZINC001345623639 1179581401 /nfs/dbraw/zinc/58/14/01/1179581401.db2.gz DTFIRCDWFCHMBA-GFCCVEGCSA-N 0 0 324.384 3.341 20 10 DGCDRN Nc1ccc(CNC(=O)NC[C@@H]2CCCCC(F)(F)C2)cc1 ZINC001346439489 1179702070 /nfs/dbraw/zinc/70/20/70/1179702070.db2.gz AENPGBIDYMCUSK-CYBMUJFWSA-N 0 0 311.376 3.284 20 10 DGCDRN C[C@H](CCc1cccc(F)c1)C(=O)NCc1cccc(O)c1O ZINC001347234879 1179785807 /nfs/dbraw/zinc/78/58/07/1179785807.db2.gz RKTNHTQWCXYPCG-GFCCVEGCSA-N 0 0 317.360 3.122 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCCS1 ZINC001349116561 1179874648 /nfs/dbraw/zinc/87/46/48/1179874648.db2.gz BGLQGLNPGFMLPE-MRXNPFEDSA-N 0 0 304.459 3.141 20 10 DGCDRN CCc1ccc(CCNC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC001349334056 1179894835 /nfs/dbraw/zinc/89/48/35/1179894835.db2.gz FRHKSZDPEAWHJW-UHFFFAOYSA-N 0 0 310.397 3.223 20 10 DGCDRN CN(Cc1ccccc1O)c1nnc(C2CCCCC2)n1C ZINC001350519345 1180081787 /nfs/dbraw/zinc/08/17/87/1180081787.db2.gz UPKRMVFWHCZHRT-UHFFFAOYSA-N 0 0 300.406 3.205 20 10 DGCDRN CCN(c1nnc(C2Sc3ncccc3C2=O)n1C)C(C)C ZINC001351382282 1180207574 /nfs/dbraw/zinc/20/75/74/1180207574.db2.gz DSLZNHCPADQHHY-UHFFFAOYSA-N 0 0 317.418 3.032 20 10 DGCDRN Cc1ncc(/C=C\C(=O)Nc2c3nonc3ccc2Cl)s1 ZINC001352345012 1180322285 /nfs/dbraw/zinc/32/22/85/1180322285.db2.gz MUGSOMACFFCZFZ-DJWKRKHSSA-N 0 0 320.761 3.293 20 10 DGCDRN O=C(c1ncccc1NCC1CCC1)N1Cc2cccc(O)c2C1 ZINC001352496862 1180351771 /nfs/dbraw/zinc/35/17/71/1180351771.db2.gz XQTXQGNMXBUQQI-UHFFFAOYSA-N 0 0 323.396 3.155 20 10 DGCDRN O=C(NCc1cccc(O)c1O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001352657287 1180375733 /nfs/dbraw/zinc/37/57/33/1180375733.db2.gz BUJMCKFORFOVPU-MWLCHTKSSA-N 0 0 317.307 3.083 20 10 DGCDRN Oc1cccnc1CNC(=S)Nc1cccc2ccccc21 ZINC001200116755 1180388047 /nfs/dbraw/zinc/38/80/47/1180388047.db2.gz USMJKDOSWCJGIP-UHFFFAOYSA-N 0 0 309.394 3.427 20 10 DGCDRN Nc1ccc(CNC(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC001353261979 1180512417 /nfs/dbraw/zinc/51/24/17/1180512417.db2.gz TYIWJHRFWWPVRA-ZMSDIMECSA-N 0 0 301.434 3.427 20 10 DGCDRN Cc1ccc(CNC(=S)NCc2c(C)cc(C)cc2O)cc1 ZINC001200320325 1180542609 /nfs/dbraw/zinc/54/26/09/1180542609.db2.gz IDBKGIMKBTVLJN-UHFFFAOYSA-N 0 0 314.454 3.482 20 10 DGCDRN Cc1ncccc1/C=C/C(=O)N1C[C@H](C)C(=O)Nc2ccccc21 ZINC001353942691 1180690009 /nfs/dbraw/zinc/69/00/09/1180690009.db2.gz PCTUHUFRDQRZFF-LXKVQUBZSA-N 0 0 321.380 3.025 20 10 DGCDRN Fc1cc(F)cc(NC(=S)NCc2cccc(Cl)n2)c1 ZINC001200677580 1180808789 /nfs/dbraw/zinc/80/87/89/1180808789.db2.gz UCNDJMOEAYKEAO-UHFFFAOYSA-N 0 0 313.760 3.500 20 10 DGCDRN CCN(Cc1ccccc1O)S(=O)(=O)c1cccc(C)c1F ZINC001200753017 1180878086 /nfs/dbraw/zinc/87/80/86/1180878086.db2.gz CZYCADHYVMTVAR-UHFFFAOYSA-N 0 0 323.389 3.051 20 10 DGCDRN C[C@@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)CC(F)(F)F ZINC001604184174 1193059195 /nfs/dbraw/zinc/05/91/95/1193059195.db2.gz HTBMFJNLTKKYHV-BDAKNGLRSA-N 0 0 305.296 3.330 20 10 DGCDRN C[C@H]([NH2+]CC1(N(C)C)CCCCC1)c1cc(C(=O)[O-])ccc1O ZINC001604336521 1193066107 /nfs/dbraw/zinc/06/61/07/1193066107.db2.gz GNODKSQWKWMIAO-ZDUSSCGKSA-N 0 0 320.433 3.006 20 10 DGCDRN S=C(NCc1cc(Br)ccn1)Nc1ccccc1 ZINC001200842071 1180961494 /nfs/dbraw/zinc/96/14/94/1180961494.db2.gz KZHRUOATXXRNSE-UHFFFAOYSA-N 0 0 322.231 3.331 20 10 DGCDRN CCOc1ccc(N(CC)Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC001604459974 1193073466 /nfs/dbraw/zinc/07/34/66/1193073466.db2.gz IXTSTGHUTHKILJ-UHFFFAOYSA-N 0 0 323.400 3.292 20 10 DGCDRN COc1ccc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)o1 ZINC001356265996 1181166544 /nfs/dbraw/zinc/16/65/44/1181166544.db2.gz GKTMUHIRLWWVKY-UHFFFAOYSA-N 0 0 314.385 3.161 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1CC[C@@H](C(C)C)C1 ZINC001356276234 1181168156 /nfs/dbraw/zinc/16/81/56/1181168156.db2.gz DWOKUHVVTMFHAF-LLVKDONJSA-N 0 0 306.435 3.214 20 10 DGCDRN C[C@@H]1C[C@H](C)[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C1 ZINC001604664194 1193086679 /nfs/dbraw/zinc/08/66/79/1193086679.db2.gz DOMYCHVJFGQPCC-MNOVXSKESA-N 0 0 304.365 3.246 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])[C@@H]1C ZINC001604753560 1193092415 /nfs/dbraw/zinc/09/24/15/1193092415.db2.gz DFZPWINLUVAGAX-GHMZBOCLSA-N 0 0 304.365 3.246 20 10 DGCDRN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cccc3c1CCN3)CC2 ZINC001357588635 1181411672 /nfs/dbraw/zinc/41/16/72/1181411672.db2.gz UBWHXGUZZGQBED-UHFFFAOYSA-N 0 0 323.352 3.074 20 10 DGCDRN Cc1cc(CC(=O)Nc2ccnn2C)c(C)n1-c1ccccc1 ZINC001358193680 1181467172 /nfs/dbraw/zinc/46/71/72/1181467172.db2.gz PNSPCQFETQUJEN-UHFFFAOYSA-N 0 0 308.385 3.009 20 10 DGCDRN CCN1CCN(C(=O)/C=C\c2cccnc2C)c2ccccc21 ZINC001435045720 1181786412 /nfs/dbraw/zinc/78/64/12/1181786412.db2.gz RJOZEWKRGYWODW-KHPPLWFESA-N 0 0 307.397 3.276 20 10 DGCDRN Cc1cc(CNC(=O)c2ccc(N=NC(N)=O)cc2)ccc1F ZINC001440770964 1182048548 /nfs/dbraw/zinc/04/85/48/1182048548.db2.gz XRIVJBRKYIYSDL-UHFFFAOYSA-N 0 0 314.320 3.227 20 10 DGCDRN C/C=C/[C@H](O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC001442442994 1182082916 /nfs/dbraw/zinc/08/29/16/1182082916.db2.gz BKNAIVDWQIHHET-JGIVAVPZSA-N 0 0 316.445 3.009 20 10 DGCDRN O=Cc1cc(C(=O)NCCCSc2nccs2)ccc1F ZINC001443487669 1182101913 /nfs/dbraw/zinc/10/19/13/1182101913.db2.gz IFDZJLWDFHVNOK-UHFFFAOYSA-N 0 0 324.402 3.007 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NCc2cc(F)ccc2F)cc1 ZINC001443734886 1182107731 /nfs/dbraw/zinc/10/77/31/1182107731.db2.gz ZCQQLGSJZUPLNA-UHFFFAOYSA-N 0 0 318.283 3.057 20 10 DGCDRN O=C(C[C@@H]1OCc2cc(Cl)ccc21)NCc1ccccc1O ZINC001445967588 1182158315 /nfs/dbraw/zinc/15/83/15/1182158315.db2.gz CQSJGDLSPVCEED-INIZCTEOSA-N 0 0 317.772 3.323 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc3c(C)cccn3c2)c1 ZINC001445964173 1182158502 /nfs/dbraw/zinc/15/85/02/1182158502.db2.gz CDMSYHTUINESOU-ZDUSSCGKSA-N 0 0 324.380 3.453 20 10 DGCDRN CN(C)c1ccc(C(=O)NCc2cc(Cl)ccc2O)c(F)c1 ZINC001452938345 1182305784 /nfs/dbraw/zinc/30/57/84/1182305784.db2.gz XAJLQABWEMHXJQ-UHFFFAOYSA-N 0 0 322.767 3.181 20 10 DGCDRN Cc1ccc(CCNC(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC001453039939 1182309260 /nfs/dbraw/zinc/30/92/60/1182309260.db2.gz CFJYAGRTXCTSCL-SOFGYWHQSA-N 0 0 311.381 3.087 20 10 DGCDRN Cc1oc(Br)cc1C(=O)NCc1cc(C)ccc1O ZINC001453648367 1182322046 /nfs/dbraw/zinc/32/20/46/1182322046.db2.gz GYJZPEJASIXUBU-UHFFFAOYSA-N 0 0 324.174 3.295 20 10 DGCDRN C[C@@H](Cc1cccc(F)c1)C(=O)NCc1c(O)cccc1F ZINC001456109428 1182398020 /nfs/dbraw/zinc/39/80/20/1182398020.db2.gz YMPLIDZJARHOBH-NSHDSACASA-N 0 0 305.324 3.165 20 10 DGCDRN Cc1ccc(C)c(OCCC(=O)NCc2c(O)cccc2F)c1 ZINC001456100308 1182398083 /nfs/dbraw/zinc/39/80/83/1182398083.db2.gz RSKCOQCIYXGHSX-UHFFFAOYSA-N 0 0 317.360 3.233 20 10 DGCDRN O=C(/C=C/c1ccc(Cl)cc1)NCc1c(O)cccc1O ZINC001456313771 1182409918 /nfs/dbraw/zinc/40/99/18/1182409918.db2.gz HJYFOQVPBOJFCE-RMKNXTFCSA-N 0 0 303.745 3.081 20 10 DGCDRN COC1CCC(C(=O)NCc2c(O)ccc3ccccc32)CC1 ZINC001456308278 1182409958 /nfs/dbraw/zinc/40/99/58/1182409958.db2.gz INEBUKHFODKDKE-UHFFFAOYSA-N 0 0 313.397 3.367 20 10 DGCDRN CCSc1cccc(CNC(=O)c2c(F)ccc(O)c2O)c1 ZINC001457851679 1182483752 /nfs/dbraw/zinc/48/37/52/1182483752.db2.gz GKCJYZIBAAMNSS-UHFFFAOYSA-N 0 0 321.373 3.279 20 10 DGCDRN O=C(c1c(F)ccc(O)c1O)N1CC[C@@H](c2ccccc2F)C1 ZINC001457832976 1182483817 /nfs/dbraw/zinc/48/38/17/1182483817.db2.gz JFYZSOBJWFTCQK-SNVBAGLBSA-N 0 0 319.307 3.006 20 10 DGCDRN COC(=O)c1cnc(Sc2ncnc3sc(C)cc32)s1 ZINC001458394043 1182520559 /nfs/dbraw/zinc/52/05/59/1182520559.db2.gz XWKJEWHKJDOFQS-UHFFFAOYSA-N 0 0 323.424 3.394 20 10 DGCDRN CCc1nc(COc2ccc(N(C)C)c(C(=O)OC)c2)cs1 ZINC001459244395 1182575762 /nfs/dbraw/zinc/57/57/62/1182575762.db2.gz WJMUUOCISGSIIP-UHFFFAOYSA-N 0 0 320.414 3.137 20 10 DGCDRN CC1(C)CC[C@@H](CC(=O)Nc2c3nonc3ccc2Cl)OC1 ZINC001459789348 1182616396 /nfs/dbraw/zinc/61/63/96/1182616396.db2.gz QYGCDMUEFAOQOA-VIFPVBQESA-N 0 0 323.780 3.410 20 10 DGCDRN CC1(C)CC[C@H](CC(=O)Nc2c3nonc3ccc2Cl)OC1 ZINC001459789343 1182616807 /nfs/dbraw/zinc/61/68/07/1182616807.db2.gz QYGCDMUEFAOQOA-SECBINFHSA-N 0 0 323.780 3.410 20 10 DGCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@H](O)CSC ZINC001460282101 1182671561 /nfs/dbraw/zinc/67/15/61/1182671561.db2.gz CQXIXAJBXDAJJV-GJZGRUSLSA-N 0 0 309.475 3.054 20 10 DGCDRN CCc1nc(CC[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)cs1 ZINC001605851544 1193179922 /nfs/dbraw/zinc/17/99/22/1193179922.db2.gz HSRXZILQCLNRSJ-JTQLQIEISA-N 0 0 320.414 3.003 20 10 DGCDRN OC1(C(F)(F)CNCc2ccc3c(c2)CCO3)CCCCC1 ZINC001461820321 1182861130 /nfs/dbraw/zinc/86/11/30/1182861130.db2.gz WXLYVQWLLXROQN-UHFFFAOYSA-N 0 0 311.372 3.042 20 10 DGCDRN Cc1cc(O)c(CNc2ccc(CNC(N)=O)cc2)c(Cl)c1 ZINC001462004013 1182894359 /nfs/dbraw/zinc/89/43/59/1182894359.db2.gz YCDVXGGLCWDJFV-UHFFFAOYSA-N 0 0 319.792 3.134 20 10 DGCDRN CN(C)c1ccc(F)cc1CN(C)c1ccc2c(c1)OCO2 ZINC001462072110 1182905023 /nfs/dbraw/zinc/90/50/23/1182905023.db2.gz BUMNUMCBCWPRSO-UHFFFAOYSA-N 0 0 302.349 3.257 20 10 DGCDRN Cn1cc(C[NH2+]Cc2cccc(F)c2[O-])c(-c2ccccc2)n1 ZINC001462086271 1182906142 /nfs/dbraw/zinc/90/61/42/1182906142.db2.gz POWCFNGVHOIDFU-UHFFFAOYSA-N 0 0 311.360 3.222 20 10 DGCDRN CN(C)c1ccc(C[NH2+]Cc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001606055444 1193188264 /nfs/dbraw/zinc/18/82/64/1193188264.db2.gz JMUNCHMOHYOZQJ-UHFFFAOYSA-N 0 0 318.804 3.394 20 10 DGCDRN COC(=O)[C@H](CC(C)(C)C)NCc1ccc2c(c1)CCCO2 ZINC001462371826 1182943670 /nfs/dbraw/zinc/94/36/70/1182943670.db2.gz OLBXDGUMUMJNEM-HNNXBMFYSA-N 0 0 305.418 3.079 20 10 DGCDRN CN(Cc1cc(Cl)cc(F)c1[O-])C(C)(C)C[NH+]1CCCC1 ZINC001462382617 1182944639 /nfs/dbraw/zinc/94/46/39/1182944639.db2.gz HZHKENYEOFOCBF-UHFFFAOYSA-N 0 0 314.832 3.491 20 10 DGCDRN CC(C)CCN(C(=O)Cc1ccc(O)c(O)c1)C1CCCC1 ZINC001464538361 1183098553 /nfs/dbraw/zinc/09/85/53/1183098553.db2.gz GAOQIQBLMPZDDI-UHFFFAOYSA-N 0 0 305.418 3.458 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)Nc1nc2c(s1)CCCCC2 ZINC001464646659 1183105208 /nfs/dbraw/zinc/10/52/08/1183105208.db2.gz GARRMCAHBPUDJY-UHFFFAOYSA-N 0 0 318.398 3.004 20 10 DGCDRN Cc1ccc(/C=C/C(=O)NCc2cccc(Cl)c2O)cn1 ZINC001606859976 1193206254 /nfs/dbraw/zinc/20/62/54/1193206254.db2.gz CRCSBUMVMYDFAS-BQYQJAHWSA-N 0 0 302.761 3.079 20 10 DGCDRN Cc1ccc(Cl)cc1OCC(=O)N(C)Cc1ccccc1O ZINC001465844223 1183172587 /nfs/dbraw/zinc/17/25/87/1183172587.db2.gz JFBVCMNQVDSXBL-UHFFFAOYSA-N 0 0 319.788 3.391 20 10 DGCDRN Cn1ccc(C(=O)NCc2ccccc2O)c1-c1ccccc1 ZINC001465990104 1183181154 /nfs/dbraw/zinc/18/11/54/1183181154.db2.gz BCGDPJZSUSCJKF-UHFFFAOYSA-N 0 0 306.365 3.328 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cccc3ccncc32)c1 ZINC001465993781 1183182209 /nfs/dbraw/zinc/18/22/09/1183182209.db2.gz WUEQHKNBKFYXKD-LBPRGKRZSA-N 0 0 322.364 3.440 20 10 DGCDRN C[C@H](NC(=O)C1(c2cccnc2)CC1)c1ccc(N(C)C)cc1 ZINC001467260422 1183250040 /nfs/dbraw/zinc/25/00/40/1183250040.db2.gz RRXDOUDCXHBJSF-AWEZNQCLSA-N 0 0 309.413 3.057 20 10 DGCDRN Cc1cc(NC(=O)N2Cc3cccc(O)c3C2)cc([N+](=O)[O-])c1 ZINC001467528858 1183267528 /nfs/dbraw/zinc/26/75/28/1183267528.db2.gz GRJBFWXCMPSWFO-UHFFFAOYSA-N 0 0 313.313 3.157 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc2c(o1)CCCC2 ZINC001467841617 1183293157 /nfs/dbraw/zinc/29/31/57/1183293157.db2.gz ZFOZKBANZGUMSW-UHFFFAOYSA-N 0 0 320.385 3.280 20 10 DGCDRN CC(C)[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)C1CC1 ZINC001468318626 1183325990 /nfs/dbraw/zinc/32/59/90/1183325990.db2.gz DVQLJWPVVBEQLB-SFHVURJKSA-N 0 0 315.461 3.303 20 10 DGCDRN Cc1ccsc1CNC(=O)NCc1cccc(Cl)c1O ZINC001468331419 1183326452 /nfs/dbraw/zinc/32/64/52/1183326452.db2.gz FXDPHDGMSWWGOM-UHFFFAOYSA-N 0 0 310.806 3.415 20 10 DGCDRN COc1ccc(C[NH2+]Cc2ccc(Cl)c(C(=O)[O-])n2)cc1C ZINC001607260211 1193221521 /nfs/dbraw/zinc/22/15/21/1193221521.db2.gz BGRJTWRCFATUHM-UHFFFAOYSA-N 0 0 320.776 3.040 20 10 DGCDRN CSc1ccc(CNC(=O)NCc2cc(C)ccc2O)cc1 ZINC001469841186 1183442456 /nfs/dbraw/zinc/44/24/56/1183442456.db2.gz POFBJMJZCRVPMW-UHFFFAOYSA-N 0 0 316.426 3.422 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1CCc2ccccc2O1 ZINC001469877438 1183443265 /nfs/dbraw/zinc/44/32/65/1183443265.db2.gz OGUDZFGYYXDZIV-MRXNPFEDSA-N 0 0 317.772 3.056 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC001470254357 1183472713 /nfs/dbraw/zinc/47/27/13/1183472713.db2.gz FMWAUNQAOXCNPF-GFCCVEGCSA-N 0 0 314.341 3.029 20 10 DGCDRN O=C(/C=C\c1ccnc2ccccc12)N1Cc2cccc(O)c2C1 ZINC001471355160 1183558747 /nfs/dbraw/zinc/55/87/47/1183558747.db2.gz CXCOBFPMYCXHDX-HJWRWDBZSA-N 0 0 316.360 3.496 20 10 DGCDRN C[C@H](C(=O)NCc1cc(O)ccc1O)c1ccc(Cl)s1 ZINC001471660809 1183580637 /nfs/dbraw/zinc/58/06/37/1183580637.db2.gz AEWWXYRAPLRPQE-QMMMGPOBSA-N 0 0 311.790 3.233 20 10 DGCDRN CC1(C)[C@H](C(=O)NCc2cc(O)ccc2O)[C@H]1c1ccccc1 ZINC001471662207 1183580768 /nfs/dbraw/zinc/58/07/68/1183580768.db2.gz TXXPSZLIKRNAAT-SJORKVTESA-N 0 0 311.381 3.154 20 10 DGCDRN COC(=O)c1c(C)c(C)ccc1NC(=O)C1=CC(=O)CS1 ZINC001471700427 1183582598 /nfs/dbraw/zinc/58/25/98/1183582598.db2.gz VOONGFMHBQHKGF-UHFFFAOYSA-N 0 0 305.355 3.109 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC001471975712 1183604058 /nfs/dbraw/zinc/60/40/58/1183604058.db2.gz DSQKBLCLALNFBB-OLZOCXBDSA-N 0 0 303.308 3.090 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1ncc(Cl)cc1Cl ZINC001471975707 1183604463 /nfs/dbraw/zinc/60/44/63/1183604463.db2.gz DOLYXXRRFONTQL-UHFFFAOYSA-N 0 0 315.131 3.163 20 10 DGCDRN CCCc1cc(C(=O)NCc2c(O)cccc2O)sc1C ZINC001472063019 1183612167 /nfs/dbraw/zinc/61/21/67/1183612167.db2.gz BZUKHKOZHUZLSS-UHFFFAOYSA-N 0 0 305.399 3.350 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1cc2ccc(Cl)cc2[nH]1 ZINC001472063744 1183612202 /nfs/dbraw/zinc/61/22/02/1183612202.db2.gz PKVWQDWDUZHGGK-UHFFFAOYSA-N 0 0 316.744 3.163 20 10 DGCDRN O=C(NCc1c(O)cccc1O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC001472064340 1183613560 /nfs/dbraw/zinc/61/35/60/1183613560.db2.gz VDJQFMUNGRGNMC-OXJNMPFZSA-N 0 0 323.392 3.008 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1ccc2c(c1)CCC2 ZINC001472316370 1183634012 /nfs/dbraw/zinc/63/40/12/1183634012.db2.gz ORVUDPLOJQAYMK-UHFFFAOYSA-N 0 0 301.773 3.464 20 10 DGCDRN Oc1cccc2c1CN(c1ccnc(Cc3ccc(F)cc3)n1)C2 ZINC001472859671 1183691209 /nfs/dbraw/zinc/69/12/09/1183691209.db2.gz CEFPJVCSVLEHHE-UHFFFAOYSA-N 0 0 321.355 3.432 20 10 DGCDRN O=[N+]([O-])c1c(NCc2cccc(Cl)c2O)nc2ccccn21 ZINC001472899077 1183698204 /nfs/dbraw/zinc/69/82/04/1183698204.db2.gz OIUOPIYNLJHCSZ-UHFFFAOYSA-N 0 0 318.720 3.214 20 10 DGCDRN CCN(C)c1ccc(CN2CCO[C@@](C)(C(F)(F)F)C2)cc1 ZINC001473731695 1183794522 /nfs/dbraw/zinc/79/45/22/1183794522.db2.gz YRVZNYKYZDWTFR-OAHLLOKOSA-N 0 0 316.367 3.296 20 10 DGCDRN CCC(CC)[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])N(C)C ZINC001473925956 1183830369 /nfs/dbraw/zinc/83/03/69/1183830369.db2.gz HTOVOXQGKVGPTH-OAHLLOKOSA-N 0 0 300.393 3.126 20 10 DGCDRN CN(CC[NH2+]Cc1cc(Cl)cc(F)c1[O-])C1CCCC1 ZINC001473992514 1183846104 /nfs/dbraw/zinc/84/61/04/1183846104.db2.gz DKFYZAPKAPJHHU-UHFFFAOYSA-N 0 0 300.805 3.149 20 10 DGCDRN CC(=O)N1CCc2c1cccc2NCc1cc(F)c(F)cc1O ZINC001474464455 1183925725 /nfs/dbraw/zinc/92/57/25/1183925725.db2.gz BFPQQLUDXORETP-UHFFFAOYSA-N 0 0 318.323 3.192 20 10 DGCDRN Cc1ccc(NC(=O)N[C@@H](C)c2ccccc2O)c2n[nH]cc21 ZINC001476123785 1184029117 /nfs/dbraw/zinc/02/91/17/1184029117.db2.gz NPLIOQZKLDRROV-NSHDSACASA-N 0 0 310.357 3.460 20 10 DGCDRN CC[C@@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)[C@H]1C ZINC001477635000 1184103432 /nfs/dbraw/zinc/10/34/32/1184103432.db2.gz OSIVTVGCXVRBLS-GOEBONIOSA-N 0 0 315.461 3.399 20 10 DGCDRN C[C@H](NC(=O)NCc1cccc(Cl)c1O)c1ccccn1 ZINC001477679388 1184106140 /nfs/dbraw/zinc/10/61/40/1184106140.db2.gz XRMDRMUWAYPXEM-JTQLQIEISA-N 0 0 305.765 3.001 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCc2cccc3[nH]ccc32)c1 ZINC001479169060 1184206427 /nfs/dbraw/zinc/20/64/27/1184206427.db2.gz ZXABSTDINKNAQL-UHFFFAOYSA-N 0 0 309.369 3.181 20 10 DGCDRN O=C(NCc1c(O)cccc1F)NC[C@H]1CCC=CCCC1 ZINC001479551343 1184267156 /nfs/dbraw/zinc/26/71/56/1184267156.db2.gz NTAAIOFABJGGMV-ZDUSSCGKSA-N 0 0 306.381 3.467 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NN2C[C@@H]3CCC[C@H]3C2)cc1 ZINC001608153583 1193280498 /nfs/dbraw/zinc/28/04/98/1193280498.db2.gz HNOCULYMJMJKKX-ROUUACIJSA-N 0 0 323.440 3.471 20 10 DGCDRN C[C@H](C[N@H+](Cc1ccccc1)Cc1cc(F)ccc1O)C(=O)[O-] ZINC001609742430 1193353515 /nfs/dbraw/zinc/35/35/15/1193353515.db2.gz RBCPKPSEWVLPBP-CYBMUJFWSA-N 0 0 317.360 3.254 20 10 DGCDRN C[C@H]1[C@H]([NH2+]Cc2ccc3c(c2)CCCN3C)CC[C@H]1CC(=O)[O-] ZINC001609840459 1193360102 /nfs/dbraw/zinc/36/01/02/1193360102.db2.gz KNIBMKVNZBNJMW-UKPHBRMFSA-N 0 0 316.445 3.048 20 10 DGCDRN CCCCC[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C(=O)[O-] ZINC001609967280 1193369818 /nfs/dbraw/zinc/36/98/18/1193369818.db2.gz OZWYYINJCQEGDO-KRWDZBQOSA-N 0 0 304.434 3.410 20 10 DGCDRN CCCC[N@H+](Cc1ccoc1C(=O)[O-])Cc1ccccc1O ZINC001609970203 1193369963 /nfs/dbraw/zinc/36/99/63/1193369963.db2.gz DTRFCFZTERMSCH-UHFFFAOYSA-N 0 0 303.358 3.486 20 10 DGCDRN COc1cc(C[N@@H+]2CCC[C@@H]2CC(=O)[O-])c(O)c(C(C)(C)C)c1 ZINC001610298387 1193381663 /nfs/dbraw/zinc/38/16/63/1193381663.db2.gz PACUYEUGDWVHDR-CYBMUJFWSA-N 0 0 321.417 3.137 20 10 DGCDRN Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ncc(C(=O)[O-])s2)c(O)c1 ZINC001610490631 1193392641 /nfs/dbraw/zinc/39/26/41/1193392641.db2.gz IVUSDTSHSROQRM-NXEZZACHSA-N 0 0 306.387 3.267 20 10 DGCDRN COc1cccc2c1CCC[C@@H](NC(=O)C1=CC(=O)CS1)C2 ZINC001514905300 1186735863 /nfs/dbraw/zinc/73/58/63/1186735863.db2.gz GMVKDARKIMDFPE-GFCCVEGCSA-N 0 0 317.410 3.140 20 10 DGCDRN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CC[C@H](C)C1 ZINC001612537268 1193454271 /nfs/dbraw/zinc/45/42/71/1193454271.db2.gz AUESHYQKWAJDKV-ZFWWWQNUSA-N 0 0 314.433 3.365 20 10 DGCDRN CC[C@@H]1[C@@H](C)CCN1c1nnc(C2SC=CC2=O)n1CC ZINC001520737656 1186964670 /nfs/dbraw/zinc/96/46/70/1186964670.db2.gz ANCZPWNABZGGSH-WDEREUQCSA-N 0 0 306.435 3.357 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2C[C@@H]2C2CCCC2)cc1 ZINC001520906661 1186978611 /nfs/dbraw/zinc/97/86/11/1186978611.db2.gz TWCZHMAZKOFAJJ-DZGCQCFKSA-N 0 0 314.389 3.405 20 10 DGCDRN Cc1cnc(Cl)cc1C(=O)NCc1ccc(N(C)C)cc1C ZINC001521374018 1187018617 /nfs/dbraw/zinc/01/86/17/1187018617.db2.gz BXLLNHBNCPAROX-UHFFFAOYSA-N 0 0 317.820 3.348 20 10 DGCDRN CCn1cc(OC(=O)Cc2cc(C)n(-c3ccccc3)c2C)cn1 ZINC001522498705 1187085771 /nfs/dbraw/zinc/08/57/71/1187085771.db2.gz FZKKYDHKARXSQA-UHFFFAOYSA-N 0 0 323.396 3.459 20 10 DGCDRN Cn1cnc(/C=C/C(=O)N2CCc3cc(C(C)(C)C)ccc32)c1 ZINC001524070810 1187212978 /nfs/dbraw/zinc/21/29/78/1187212978.db2.gz ZDYUOEVOHHDUCW-SOFGYWHQSA-N 0 0 309.413 3.320 20 10 DGCDRN CSc1cccc(C(=O)Nc2c3nonc3ccc2Cl)n1 ZINC001525080500 1187295235 /nfs/dbraw/zinc/29/52/35/1187295235.db2.gz DWZRCZSCHBSIGY-UHFFFAOYSA-N 0 0 320.761 3.245 20 10 DGCDRN Cn1cnc(/C=C/C(=O)N(Cc2ccsc2)c2cccnc2)c1 ZINC001527388953 1187425792 /nfs/dbraw/zinc/42/57/92/1187425792.db2.gz HRMVTBRZBRPUKQ-SNAWJCMRSA-N 0 0 324.409 3.123 20 10 DGCDRN Cc1cc(F)c(C(=O)NCc2ccc(N(C)C)c(F)c2)c(F)c1 ZINC001528620152 1187502609 /nfs/dbraw/zinc/50/26/09/1187502609.db2.gz SPDLLDZNVSVFCH-UHFFFAOYSA-N 0 0 322.330 3.408 20 10 DGCDRN Cc1conc1CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001528870759 1187517855 /nfs/dbraw/zinc/51/78/55/1187517855.db2.gz QOWIEWCRTGPWNM-UHFFFAOYSA-N 0 0 323.396 3.249 20 10 DGCDRN Cn1cnc(/C=C/C(=O)N2CCCCc3cc(Cl)ccc32)c1 ZINC001529003164 1187524990 /nfs/dbraw/zinc/52/49/90/1187524990.db2.gz IYFNEZHEIHRCHI-SOFGYWHQSA-N 0 0 315.804 3.456 20 10 DGCDRN Cc1cc(Cl)nc(C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC001530833708 1187648480 /nfs/dbraw/zinc/64/84/80/1187648480.db2.gz RTNZNSCYQQEMEC-UHFFFAOYSA-N 0 0 317.820 3.348 20 10 DGCDRN C[C@H](CSC(F)(F)F)C(=O)NCc1ccc(N(C)C)cc1 ZINC001531322619 1187679396 /nfs/dbraw/zinc/67/93/96/1187679396.db2.gz ZXTSGMNHYJUBQO-SNVBAGLBSA-N 0 0 320.380 3.258 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H]2C[C@]2(C)C(C)C)cc1 ZINC001531374425 1187682570 /nfs/dbraw/zinc/68/25/70/1187682570.db2.gz CCCWVSDRUQWYMB-IEBWSBKVSA-N 0 0 318.461 3.272 20 10 DGCDRN CC[C@@H]1CCC[C@@H]1C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001531375043 1187682573 /nfs/dbraw/zinc/68/25/73/1187682573.db2.gz PSBNBUSIHPNKLI-QAPCUYQASA-N 0 0 318.461 3.416 20 10 DGCDRN CCCN(C(=O)/C=C/c1cnc(OC)nc1)c1ccccc1F ZINC001532603957 1187770325 /nfs/dbraw/zinc/77/03/25/1187770325.db2.gz NVQIUDOFAFNDCZ-CMDGGOBGSA-N 0 0 315.348 3.081 20 10 DGCDRN C[C@H]1CC/C(=C\C(=O)N2CCOc3cc(N(C)C)ccc32)C1 ZINC001532657168 1187774704 /nfs/dbraw/zinc/77/47/04/1187774704.db2.gz UXUUWJRFHCBSCE-UQRISPGASA-N 0 0 300.402 3.224 20 10 DGCDRN CCO[C@H](C(=O)Nc1c2nonc2ccc1Cl)C1CCCC1 ZINC001539053862 1188175489 /nfs/dbraw/zinc/17/54/89/1188175489.db2.gz CVCOLQNJMMAIHG-AWEZNQCLSA-N 0 0 323.780 3.410 20 10 DGCDRN C[C@@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)c1ccncc1 ZINC001540488079 1188242326 /nfs/dbraw/zinc/24/23/26/1188242326.db2.gz COQZNYIWMKWEEQ-MRXNPFEDSA-N 0 0 323.440 3.444 20 10 DGCDRN C[C@H](NC(=O)c1ccc(Cl)cc1N)c1ccc(N(C)C)cc1 ZINC001616834965 1193549054 /nfs/dbraw/zinc/54/90/54/1193549054.db2.gz PEBZLQHFFOGURB-NSHDSACASA-N 0 0 317.820 3.479 20 10 DGCDRN Cc1nnc(N(C)Cc2ccccc2O)n1CCSC(C)C ZINC001543151066 1188315849 /nfs/dbraw/zinc/31/58/49/1188315849.db2.gz UVUUINZHFPOBGI-UHFFFAOYSA-N 0 0 320.462 3.070 20 10 DGCDRN Cc1ccc2n[nH]cc2c1C(=O)NCc1ccc(N(C)C)cc1C ZINC001617046907 1193555755 /nfs/dbraw/zinc/55/57/55/1193555755.db2.gz HXDOXYPFMXVGSY-UHFFFAOYSA-N 0 0 322.412 3.176 20 10 DGCDRN CSc1cc(C(=O)Nc2c3nonc3ccc2Cl)co1 ZINC001543805924 1188364097 /nfs/dbraw/zinc/36/40/97/1188364097.db2.gz PRKDIGXJKGACBV-UHFFFAOYSA-N 0 0 309.734 3.443 20 10 DGCDRN C/C(=C\c1cccnc1)C(=O)Nc1c2nonc2ccc1Cl ZINC001543805535 1188364390 /nfs/dbraw/zinc/36/43/90/1188364390.db2.gz GDUNHPWSQJYGAX-VQHVLOKHSA-N 0 0 314.732 3.313 20 10 DGCDRN Cc1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)cnc1Cl ZINC001545189839 1188425083 /nfs/dbraw/zinc/42/50/83/1188425083.db2.gz LUNGJNXOLVEBOH-UHFFFAOYSA-N 0 0 317.736 3.458 20 10 DGCDRN Cc1cc(O)c(C(C)C)cc1C(=O)NCc1cccc(O)c1O ZINC001548791641 1188463070 /nfs/dbraw/zinc/46/30/70/1188463070.db2.gz VCAOPCYWOSJNNP-UHFFFAOYSA-N 0 0 315.369 3.165 20 10 DGCDRN O=C(NCc1cccc(O)c1O)[C@@H]1CCCCc2ccccc21 ZINC001548791564 1188463202 /nfs/dbraw/zinc/46/32/02/1188463202.db2.gz UGRJZYFSQRJGCC-MRXNPFEDSA-N 0 0 311.381 3.224 20 10 DGCDRN COc1ccc(CNC(=O)Cc2ccc(F)c(Cl)c2)c(O)c1 ZINC001617754046 1193580169 /nfs/dbraw/zinc/58/01/69/1193580169.db2.gz WZDCFNNDUNHRBY-UHFFFAOYSA-N 0 0 323.751 3.052 20 10 DGCDRN CSc1ccccc1CN(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001556451779 1189002111 /nfs/dbraw/zinc/00/21/11/1189002111.db2.gz VSXAPEKAHNPKIE-UHFFFAOYSA-N 0 0 317.410 3.021 20 10 DGCDRN Cc1ccc(SCC(=O)NCc2ccc(O)cc2O)c(C)c1 ZINC001557084582 1189040198 /nfs/dbraw/zinc/04/01/98/1189040198.db2.gz GKGCUOAVTAFRCR-UHFFFAOYSA-N 0 0 317.410 3.123 20 10 DGCDRN Cc1ccncc1/C=C\C(=O)NCc1cc(Cl)ccc1O ZINC001557387499 1189061244 /nfs/dbraw/zinc/06/12/44/1189061244.db2.gz UMUNDQHQRBKIIB-DJWKRKHSSA-N 0 0 302.761 3.079 20 10 DGCDRN COc1ccccc1/C(C)=C/C(=O)NCc1cc(C)ccc1O ZINC001557554394 1189071640 /nfs/dbraw/zinc/07/16/40/1189071640.db2.gz YITANFLYPADPMA-SDNWHVSQSA-N 0 0 311.381 3.429 20 10 DGCDRN C[C@@H](NC(=O)c1cncc(Br)c1)c1ccccc1O ZINC001557966197 1189095151 /nfs/dbraw/zinc/09/51/51/1189095151.db2.gz WELZCWPFGVQLPM-SECBINFHSA-N 0 0 321.174 3.041 20 10 DGCDRN C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1cc2cnccc2o1 ZINC001558067999 1189102480 /nfs/dbraw/zinc/10/24/80/1189102480.db2.gz JSWSFBSVLKVIRQ-MZBZXASESA-N 0 0 324.336 3.130 20 10 DGCDRN O=C(/C=C/Sc1ccccc1)NCc1cccc(O)c1O ZINC001558160909 1189108518 /nfs/dbraw/zinc/10/85/18/1189108518.db2.gz DHSIFQJPIZRWEG-MDZDMXLPSA-N 0 0 301.367 3.020 20 10 DGCDRN CCN(CC)c1ccc(C(=O)NCc2c(O)cccc2F)cc1 ZINC001558454929 1189126513 /nfs/dbraw/zinc/12/65/13/1189126513.db2.gz HUCHNRHBWPHJLW-UHFFFAOYSA-N 0 0 316.376 3.308 20 10 DGCDRN CC(C)(CC(=O)NCc1c(O)cccc1O)CC(F)(F)F ZINC001558536162 1189131886 /nfs/dbraw/zinc/13/18/86/1189131886.db2.gz VEFLIZIIXYFLGL-UHFFFAOYSA-N 0 0 305.296 3.083 20 10 DGCDRN CCOC1CC(CC(=O)NCc2c(O)ccc3ccccc32)C1 ZINC001558554550 1189132792 /nfs/dbraw/zinc/13/27/92/1189132792.db2.gz SCNRWYZHCQWUAA-UHFFFAOYSA-N 0 0 313.397 3.367 20 10 DGCDRN COC(=O)c1cnc(Sc2nc3cccc(F)c3o2)s1 ZINC001559198385 1189179908 /nfs/dbraw/zinc/17/99/08/1189179908.db2.gz NJUMWLDXCLOZHT-UHFFFAOYSA-N 0 0 310.331 3.361 20 10 DGCDRN Oc1cccc(F)c1CNc1nnc(-c2ccccn2)s1 ZINC001559285020 1189191803 /nfs/dbraw/zinc/19/18/03/1189191803.db2.gz ZZDVBAIONNINJL-UHFFFAOYSA-N 0 0 302.334 3.057 20 10 DGCDRN CN(C)c1ccc(CN2CCOc3cc(F)c(F)cc32)cc1 ZINC001559959847 1189262589 /nfs/dbraw/zinc/26/25/89/1189262589.db2.gz LDXMQMQMRIUWCU-UHFFFAOYSA-N 0 0 304.340 3.430 20 10 DGCDRN COc1ccc(N(C)CCOCCOc2ccccc2)cc1 ZINC001559969497 1189264056 /nfs/dbraw/zinc/26/40/56/1189264056.db2.gz HDQKOHJYEVRNNR-UHFFFAOYSA-N 0 0 301.386 3.227 20 10 DGCDRN COc1ccc(N(C)CC(=O)N(C)CC2CCCCC2)cc1 ZINC001559969607 1189264339 /nfs/dbraw/zinc/26/43/39/1189264339.db2.gz KPUQTOYNCGOPHB-UHFFFAOYSA-N 0 0 304.434 3.170 20 10 DGCDRN COC(=O)[C@@]1(NCc2ccc(N(C)C)cc2)CCCC(C)(C)C1 ZINC001560009805 1189268692 /nfs/dbraw/zinc/26/86/92/1189268692.db2.gz FIFXQTOUYPBUDS-LJQANCHMSA-N 0 0 318.461 3.354 20 10 DGCDRN CN1CCN(c2ccc(CNc3ccc(F)cc3)cc2F)CC1 ZINC001560278158 1189304198 /nfs/dbraw/zinc/30/41/98/1189304198.db2.gz BVECFPUZBNYEOT-UHFFFAOYSA-N 0 0 317.383 3.329 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC001560671118 1189357764 /nfs/dbraw/zinc/35/77/64/1189357764.db2.gz SNIUBYAPODOCQA-WBMJQRKESA-N 0 0 323.339 3.352 20 10 DGCDRN Cc1csc(N2CCN(Cc3ccc(Cl)cc3O)CC2)n1 ZINC001560673397 1189358142 /nfs/dbraw/zinc/35/81/42/1189358142.db2.gz OMJDTXZWCDCEBK-UHFFFAOYSA-N 0 0 323.849 3.133 20 10 DGCDRN COc1cc(C)cc(CNc2cccc(-c3ncn(C)n3)c2)c1O ZINC001560742856 1189372501 /nfs/dbraw/zinc/37/25/01/1189372501.db2.gz RMJIJURMEXMNMM-UHFFFAOYSA-N 0 0 324.384 3.117 20 10 DGCDRN COc1ccc2c(c1)N(Cc1cc(F)cc(F)c1O)C[C@H](C)O2 ZINC001560775727 1189379663 /nfs/dbraw/zinc/37/96/63/1189379663.db2.gz RYAOMSIIPFXZDQ-JTQLQIEISA-N 0 0 321.323 3.467 20 10 DGCDRN C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(F)c(F)cc1[O-] ZINC001560825264 1189388750 /nfs/dbraw/zinc/38/87/50/1189388750.db2.gz HCWDQNRQMSHULQ-UHFFFAOYSA-N 0 0 322.311 3.253 20 10 DGCDRN CCOC(=O)[C@]12CCC[C@H]1C[C@@H]([NH2+]Cc1c([O-])cccc1F)C2 ZINC001561016007 1189420704 /nfs/dbraw/zinc/42/07/04/1189420704.db2.gz MKEBYOSQOANZGM-JCGVRSQUSA-N 0 0 321.392 3.133 20 10 DGCDRN Cc1csc(C[C@@H]2CC[N@H+](Cc3cc(F)c(F)cc3[O-])C2)n1 ZINC001561020805 1189421253 /nfs/dbraw/zinc/42/12/53/1189421253.db2.gz RGHSKHIZKWABLN-NSHDSACASA-N 0 0 324.396 3.500 20 10 DGCDRN Cc1ccnc(C2CC[NH+](Cc3cc(F)c(F)cc3[O-])CC2)n1 ZINC001561037062 1189424741 /nfs/dbraw/zinc/42/47/41/1189424741.db2.gz UUYBPOPJCXETPA-UHFFFAOYSA-N 0 0 319.355 3.148 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)Nc1cnc2[nH]ccc2c1 ZINC001563262085 1189503296 /nfs/dbraw/zinc/50/32/96/1189503296.db2.gz RVJLFDFSOCVZIP-UHFFFAOYSA-N 0 0 316.748 3.195 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NCc2ccc(C)o2)cc1 ZINC001563693202 1189527762 /nfs/dbraw/zinc/52/77/62/1189527762.db2.gz IQEMHYDKEREMOM-UHFFFAOYSA-N 0 0 315.417 3.434 20 10 DGCDRN CN1CCCc2cc(CNC(=O)NC[C@]3(C)CC3(C)C)ccc21 ZINC001563791491 1189534426 /nfs/dbraw/zinc/53/44/26/1189534426.db2.gz AOFRBMNERYJXEK-IBGZPJMESA-N 0 0 315.461 3.304 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCc2cccc3cccnc32)c1 ZINC001563819207 1189536256 /nfs/dbraw/zinc/53/62/56/1189536256.db2.gz LDKQEKGGXMATTD-UHFFFAOYSA-N 0 0 321.380 3.248 20 10 DGCDRN C/C=C(/C=C/C(=O)N1CCOc2cc(N(C)C)ccc21)CC ZINC001566008619 1189714705 /nfs/dbraw/zinc/71/47/05/1189714705.db2.gz WWWDFJYTJRTHFB-KQANTMRISA-N 0 0 300.402 3.391 20 10 DGCDRN O=C(CCc1cccc(OC(F)F)c1)NCc1ccccc1O ZINC001566373956 1189765643 /nfs/dbraw/zinc/76/56/43/1189765643.db2.gz NSMOIOBGJQSIRA-UHFFFAOYSA-N 0 0 321.323 3.243 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C(C)=C/c2ccco2)c1 ZINC001566374911 1189766101 /nfs/dbraw/zinc/76/61/01/1189766101.db2.gz YKHWANBKXLIYCF-LMMOQWNQSA-N 0 0 301.342 3.275 20 10 DGCDRN Cc1ccc(F)c(N)c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001567778729 1190295748 /nfs/dbraw/zinc/29/57/48/1190295748.db2.gz JXCVTJFWUFJLGZ-LBPRGKRZSA-N 0 0 315.392 3.273 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)CC(C1CC1)C1CC1 ZINC001568735886 1190584282 /nfs/dbraw/zinc/58/42/82/1190584282.db2.gz MOKODGNZSIUMQP-UHFFFAOYSA-N 0 0 308.418 3.320 20 10 DGCDRN O=C(Nc1c2c(cc3c1CCC3)CCC2)c1cccc(O)c1O ZINC001569983140 1190778551 /nfs/dbraw/zinc/77/85/51/1190778551.db2.gz PZLSPHJSQZQLIE-UHFFFAOYSA-N 0 0 309.365 3.328 20 10 DGCDRN Cc1c[nH]cc1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001570018176 1190781952 /nfs/dbraw/zinc/78/19/52/1190781952.db2.gz YOTKQPNUDYYQQC-UHFFFAOYSA-N 0 0 317.352 3.285 20 10 DGCDRN CC(C)[C@@H]1N(C(=O)Cc2ccc(O)c(O)c2)CC12CCCC2 ZINC001570309119 1190836989 /nfs/dbraw/zinc/83/69/89/1190836989.db2.gz MAWBLIJYGAQCMW-KRWDZBQOSA-N 0 0 303.402 3.068 20 10 DGCDRN O=C(N[C@@H]1C[C@H]1c1ccco1)c1cc2cc(O)c(O)cc2s1 ZINC001570301778 1190837543 /nfs/dbraw/zinc/83/75/43/1190837543.db2.gz HBBBTAGYTPMROO-NXEZZACHSA-N 0 0 315.350 3.191 20 10 DGCDRN O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc2c(c1)CCCC2=O ZINC001570652007 1190910762 /nfs/dbraw/zinc/91/07/62/1190910762.db2.gz WJKGLIGHTHVSFT-WEVVVXLNSA-N 0 0 323.348 3.269 20 10 DGCDRN COC(=O)c1cc(OCCCC(C)(F)F)ccc1N(C)C ZINC001614868623 1191290163 /nfs/dbraw/zinc/29/01/63/1191290163.db2.gz CMUZKHHHJRWBEE-UHFFFAOYSA-N 0 0 301.333 3.353 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)Nc1nc(C2CCC2)cs1 ZINC001618197960 1193728582 /nfs/dbraw/zinc/72/85/82/1193728582.db2.gz KKPQGOVLJXUTSK-UHFFFAOYSA-N 0 0 304.371 3.003 20 10 DGCDRN CC(C)(O)c1ccc(C[NH2+]Cc2cc(F)c(F)cc2[O-])cc1 ZINC001621262826 1193824382 /nfs/dbraw/zinc/82/43/82/1193824382.db2.gz HLUMPTGKZAPTNB-UHFFFAOYSA-N 0 0 307.340 3.188 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H](C)C(=O)OC(C)(C)C ZINC001621396550 1193837541 /nfs/dbraw/zinc/83/75/41/1193837541.db2.gz MSGZBXLVQLCBBC-LSDHHAIUSA-N 0 0 320.477 3.312 20 10 DGCDRN COc1ccc(N(C)Cc2ccc(O)c(F)c2F)cc1OC ZINC001621412941 1193839168 /nfs/dbraw/zinc/83/91/68/1193839168.db2.gz XWQZOEZEUSMCDU-UHFFFAOYSA-N 0 0 309.312 3.324 20 10 DGCDRN Cc1ccc([C@H](O)[C@H](C)[NH2+]Cc2cc(F)c(F)cc2[O-])cc1 ZINC001621411039 1193839506 /nfs/dbraw/zinc/83/95/06/1193839506.db2.gz PGVXTAMNYJHCCO-APPDUMDISA-N 0 0 307.340 3.191 20 10 DGCDRN CCNC(=O)c1ccc(NCc2c(C)cc(OC)cc2O)cc1 ZINC001621417099 1193840386 /nfs/dbraw/zinc/84/03/86/1193840386.db2.gz XJFUXHZRKFULSX-UHFFFAOYSA-N 0 0 314.385 3.071 20 10 DGCDRN O=C1Nc2ccc(NCc3cc(F)c(F)cc3O)cc2CO1 ZINC001621438941 1193843128 /nfs/dbraw/zinc/84/31/28/1193843128.db2.gz DASPFFYJRQIMJD-UHFFFAOYSA-N 0 0 306.268 3.345 20 10 DGCDRN Cc1nc(-c2ccc(C)c(NC(=O)C3=CC(=O)CS3)c2)n[nH]1 ZINC001621533378 1193855169 /nfs/dbraw/zinc/85/51/69/1193855169.db2.gz KVUXZQSWEGMLNQ-UHFFFAOYSA-N 0 0 314.370 3.108 20 10 DGCDRN CN(C)c1ccc(CNS(=O)(=O)CCC2CCCCC2)cc1 ZINC001621607062 1193863375 /nfs/dbraw/zinc/86/33/75/1193863375.db2.gz XDHITARXXPADKA-UHFFFAOYSA-N 0 0 324.490 3.142 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCc1ccco1 ZINC001624133008 1193982581 /nfs/dbraw/zinc/98/25/81/1193982581.db2.gz RMRGFKLBWUVHQT-UHFFFAOYSA-N 0 0 322.364 3.430 20 10 DGCDRN C/C(=C\C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1cccs1 ZINC001624954860 1194023445 /nfs/dbraw/zinc/02/34/45/1194023445.db2.gz LVYHKODHZJVTDA-OBIHZWKSSA-N 0 0 317.410 3.310 20 10 DGCDRN C[C@@H](NC(=O)c1ccc2[nH]ccc2n1)c1ccc(N(C)C)cc1 ZINC001625543399 1194057301 /nfs/dbraw/zinc/05/73/01/1194057301.db2.gz FSBRDJCIYPIDQP-GFCCVEGCSA-N 0 0 308.385 3.120 20 10 DGCDRN CCCCOc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001626452210 1194078016 /nfs/dbraw/zinc/07/80/16/1194078016.db2.gz YBXQQPXOGCLSNU-UHFFFAOYSA-N 0 0 315.369 3.458 20 10 DGCDRN COc1cc2ccccc2cc1C(=O)NCc1ccc(O)cc1O ZINC001626838266 1194098397 /nfs/dbraw/zinc/09/83/97/1194098397.db2.gz URPCZVHBVPBBET-UHFFFAOYSA-N 0 0 323.348 3.190 20 10 DGCDRN CCn1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)c1C ZINC001626941072 1194103260 /nfs/dbraw/zinc/10/32/60/1194103260.db2.gz SNZNLXUUJKFRKI-UHFFFAOYSA-N 0 0 311.429 3.129 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)NCc1cccc2ccccc21 ZINC001627451464 1194129816 /nfs/dbraw/zinc/12/98/16/1194129816.db2.gz KWDYIAWROULYJM-UHFFFAOYSA-N 0 0 307.349 3.110 20 10 DGCDRN Cc1ccc2nc(NC(=O)NCc3ccccc3O)sc2n1 ZINC001627531156 1194133317 /nfs/dbraw/zinc/13/33/17/1194133317.db2.gz FUNKNWPAUNJZQE-UHFFFAOYSA-N 0 0 314.370 3.027 20 10 DGCDRN COC[C@H](CC(C)(C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001627751863 1194142488 /nfs/dbraw/zinc/14/24/88/1194142488.db2.gz MUSXTIPSUNRYTF-ZDUSSCGKSA-N 0 0 320.393 3.030 20 10 DGCDRN CO[C@H](C)CN(C(=O)c1cc2cc(O)c(O)cc2s1)C(C)C ZINC001629483023 1194236612 /nfs/dbraw/zinc/23/66/12/1194236612.db2.gz FZSUKMKWWBYEKO-SNVBAGLBSA-N 0 0 323.414 3.198 20 10 DGCDRN COc1cc(NC(=O)c2cccc(O)c2O)cc(OC)c1Cl ZINC001629589488 1194242685 /nfs/dbraw/zinc/24/26/85/1194242685.db2.gz NVYXAXOUDLGASO-UHFFFAOYSA-N 0 0 323.732 3.021 20 10 DGCDRN C[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@H](c2ccco2)C1 ZINC001629953457 1194261602 /nfs/dbraw/zinc/26/16/02/1194261602.db2.gz AFGMZQQYALFLML-JSGCOSHPSA-N 0 0 315.369 3.233 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@H](O)C1CCCCCCC1 ZINC001629955008 1194262144 /nfs/dbraw/zinc/26/21/44/1194262144.db2.gz NLKFIZVGWPDQFL-QGZVFWFLSA-N 0 0 305.418 3.072 20 10 DGCDRN CC1(C)CCC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC001630021399 1194264870 /nfs/dbraw/zinc/26/48/70/1194264870.db2.gz DFTLZOXJMIQQSA-IZPAUZPXSA-N 0 0 303.402 3.444 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1CCc2c1cccc2Cl ZINC001630302318 1194279277 /nfs/dbraw/zinc/27/92/77/1194279277.db2.gz XOGHEYLNMHWHGN-CQSZACIVSA-N 0 0 317.772 3.097 20 10 DGCDRN CCC(C)(C)C(=O)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001630697860 1194298373 /nfs/dbraw/zinc/29/83/73/1194298373.db2.gz FVLHLPHPNHBXFE-UHFFFAOYSA-N 0 0 316.445 3.298 20 10 DGCDRN O=C(c1ccsn1)N(Cc1ccco1)Cc1ccccc1O ZINC001631143563 1194321371 /nfs/dbraw/zinc/32/13/71/1194321371.db2.gz UNWDGQJDKRSATA-UHFFFAOYSA-N 0 0 314.366 3.284 20 10 DGCDRN CCCN(C)c1ccccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001631397775 1194333327 /nfs/dbraw/zinc/33/33/27/1194333327.db2.gz HKCJMKFLVRSQED-UHFFFAOYSA-N 0 0 314.385 3.125 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@@H]1CC1(C)C ZINC001631482072 1194337174 /nfs/dbraw/zinc/33/71/74/1194337174.db2.gz RAVQNOAJNJPADA-HOCLYGCPSA-N 0 0 317.477 3.337 20 10 DGCDRN COc1cccc(CNC(=O)c2ccccc2C(F)F)c1O ZINC001631541850 1194340757 /nfs/dbraw/zinc/34/07/57/1194340757.db2.gz BHSJDNKVUQHEEH-UHFFFAOYSA-N 0 0 307.296 3.268 20 10 DGCDRN Cc1cc(CNC(=O)c2coc(C=O)c2)c(C)n1-c1ccccc1 ZINC001631794584 1194355487 /nfs/dbraw/zinc/35/54/87/1194355487.db2.gz VRFPRHSHNCLJMH-UHFFFAOYSA-N 0 0 322.364 3.430 20 10 DGCDRN CC1(C)CN(C(=O)c2cccc(O)c2O)c2cc(F)ccc21 ZINC001631910722 1194362419 /nfs/dbraw/zinc/36/24/19/1194362419.db2.gz XHPFYDZKYRXTRI-UHFFFAOYSA-N 0 0 301.317 3.175 20 10 DGCDRN O=C(NCc1c(O)cccc1F)N[C@@H]1CSc2ccccc21 ZINC001632076324 1194369952 /nfs/dbraw/zinc/36/99/52/1194369952.db2.gz HMBPJDJBKVHJEA-CYBMUJFWSA-N 0 0 318.373 3.178 20 10 DGCDRN C[C@@H](Oc1ccccc1F)C(=O)NCc1cc(Cl)ccc1O ZINC001632224217 1194377731 /nfs/dbraw/zinc/37/77/31/1194377731.db2.gz WYEFVMJQTNEXJZ-SNVBAGLBSA-N 0 0 323.751 3.268 20 10 DGCDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccccc1O ZINC001632246689 1194378953 /nfs/dbraw/zinc/37/89/53/1194378953.db2.gz LEQXLCJOKITKAV-LLVKDONJSA-N 0 0 300.314 3.100 20 10 DGCDRN Cc1noc(-c2ccc(C(=O)N[C@@H](C)c3ccccc3O)cc2)n1 ZINC001632250636 1194379058 /nfs/dbraw/zinc/37/90/58/1194379058.db2.gz ZPSQBDWVBXOXKR-NSHDSACASA-N 0 0 323.352 3.242 20 10 DGCDRN O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1Cc2cccc(O)c2C1 ZINC001632704104 1194402846 /nfs/dbraw/zinc/40/28/46/1194402846.db2.gz WOMIPWVJOONTNJ-UHFFFAOYSA-N 0 0 323.327 3.077 20 10 DGCDRN CC(C)(C)C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(F)(F)F ZINC001632939311 1194412889 /nfs/dbraw/zinc/41/28/89/1194412889.db2.gz BQVPOLJURATOLU-GFCCVEGCSA-N 0 0 319.323 3.124 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)[C@@H](C)C(C)(C)C ZINC001633817802 1194457140 /nfs/dbraw/zinc/45/71/40/1194457140.db2.gz BAIZIOLPABGBRV-JHJVBQTASA-N 0 0 307.434 3.463 20 10 DGCDRN C[C@H](NC(=O)C1=CC(=O)CS1)c1ccc(C(F)(F)F)nc1 ZINC001633876583 1194461338 /nfs/dbraw/zinc/46/13/38/1194461338.db2.gz LKQLHJHTFDKXBY-ZETCQYMHSA-N 0 0 316.304 3.359 20 10 DGCDRN CC(C)n1ccc(NC(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC001634169085 1194477731 /nfs/dbraw/zinc/47/77/31/1194477731.db2.gz WFBGMXWGORHJQK-UHFFFAOYSA-N 0 0 317.370 3.342 20 10 DGCDRN C[C@H](NC(=O)c1cc2ccccc2[nH]c1=O)c1ccccc1O ZINC001635798878 1194572733 /nfs/dbraw/zinc/57/27/33/1194572733.db2.gz GHPKZXADHRLVCT-NSHDSACASA-N 0 0 308.337 3.137 20 10 DGCDRN C[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1O ZINC001635794089 1194572765 /nfs/dbraw/zinc/57/27/65/1194572765.db2.gz VQMLWHFNAGIUEW-SECBINFHSA-N 0 0 320.732 3.445 20 10 DGCDRN CC(C)[C@H](Cc1ccccc1)C(=O)NCc1c(O)cccc1O ZINC001635847367 1194575901 /nfs/dbraw/zinc/57/59/01/1194575901.db2.gz MUZNTCPLJMWDSP-HNNXBMFYSA-N 0 0 313.397 3.229 20 10 DGCDRN Cc1ccc(F)c2oc(C(=O)NCc3c(O)cccc3O)cc21 ZINC001635850079 1194575973 /nfs/dbraw/zinc/57/59/73/1194575973.db2.gz HIRWTAQNUJHQLG-UHFFFAOYSA-N 0 0 315.300 3.222 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1cccc(-c2ccoc2)c1 ZINC001635847666 1194576006 /nfs/dbraw/zinc/57/60/06/1194576006.db2.gz RDXVETPKGNFDPK-UHFFFAOYSA-N 0 0 309.321 3.288 20 10 DGCDRN CC[C@@H](C(=O)NCc1c(O)cccc1O)c1ccc(F)cc1 ZINC001635847179 1194576105 /nfs/dbraw/zinc/57/61/05/1194576105.db2.gz JQJUOBDTFZGAFT-CYBMUJFWSA-N 0 0 303.333 3.047 20 10 DGCDRN O=C(Cc1noc2ccccc21)NCc1cccc(Cl)c1O ZINC001637227326 1194658156 /nfs/dbraw/zinc/65/81/56/1194658156.db2.gz XCSFEBJGMWBLDW-UHFFFAOYSA-N 0 0 316.744 3.046 20 10 DGCDRN CSc1cccnc1C(=O)NCc1cccc(Cl)c1O ZINC001637232592 1194658835 /nfs/dbraw/zinc/65/88/35/1194658835.db2.gz UUBSIQJAEDTRGN-UHFFFAOYSA-N 0 0 308.790 3.093 20 10 DGCDRN O=C(c1c(F)ccc(O)c1O)N1CC(c2ccc(Cl)cc2)C1 ZINC001638699063 1194733006 /nfs/dbraw/zinc/73/30/06/1194733006.db2.gz GSEKGCAHXHRKCK-UHFFFAOYSA-N 0 0 321.735 3.130 20 10 DGCDRN O=C(/C=C/C1CCOCC1)NCc1c(O)ccc2ccccc21 ZINC001639384475 1194762905 /nfs/dbraw/zinc/76/29/05/1194762905.db2.gz LQSYKVKYSYCDIY-VMPITWQZSA-N 0 0 311.381 3.144 20 10 DGCDRN COc1ccc(CNC(=O)c2ccccc2C(F)F)c(O)c1 ZINC001639458653 1194767635 /nfs/dbraw/zinc/76/76/35/1194767635.db2.gz BFOAVJRJKBGNQW-UHFFFAOYSA-N 0 0 307.296 3.268 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)c1cc(F)ccc1F ZINC001639621556 1194774195 /nfs/dbraw/zinc/77/41/95/1194774195.db2.gz KOSDPWPYBVESKS-UHFFFAOYSA-N 0 0 314.291 3.149 20 10 DGCDRN Cc1ccc(C(=O)N[C@H]2CCCc3ccccc3C2)c(O)c1O ZINC001639850832 1194784698 /nfs/dbraw/zinc/78/46/98/1194784698.db2.gz ZEPDZYZATYWWGR-HNNXBMFYSA-N 0 0 311.381 3.084 20 10 DGCDRN CCc1cc(C(=O)NCc2cc(Cl)ccc2O)ccc1O ZINC001639965873 1194789243 /nfs/dbraw/zinc/78/92/43/1194789243.db2.gz SLBFPZCGYNHIGM-UHFFFAOYSA-N 0 0 305.761 3.244 20 10 DGCDRN COc1cc(C)nc(N[C@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC001640043529 1194793592 /nfs/dbraw/zinc/79/35/92/1194793592.db2.gz VPQVVWIPWDNYJO-CYBMUJFWSA-N 0 0 314.433 3.211 20 10 DGCDRN Cc1cc(C(=O)N2CCCCN2)c(C)n1-c1cc(C)cc(C)c1 ZINC001640262841 1194804471 /nfs/dbraw/zinc/80/44/71/1194804471.db2.gz MEGQZTDXOGRPKN-UHFFFAOYSA-N 0 0 311.429 3.452 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1CC[C@@H]1C ZINC001640279441 1194805498 /nfs/dbraw/zinc/80/54/98/1194805498.db2.gz XHVKGJKJTMFMIX-YVEFUNNKSA-N 0 0 310.397 3.435 20 10 DGCDRN COc1ccc(-c2nccc(N3Cc4cccc(O)c4C3)n2)cc1 ZINC001640308081 1194806183 /nfs/dbraw/zinc/80/61/83/1194806183.db2.gz XKLBNLYSKKVXGG-UHFFFAOYSA-N 0 0 319.364 3.378 20 10 DGCDRN Cc1ccc(F)c(CC(=O)NCc2cccc(Cl)c2O)c1 ZINC001640404507 1194811544 /nfs/dbraw/zinc/81/15/44/1194811544.db2.gz BSGUVOUFHDQAHL-UHFFFAOYSA-N 0 0 307.752 3.352 20 10 DGCDRN Cn1c(-c2ccccc2)cnc1SCOC(=O)N1CCCC1 ZINC001640759381 1194826719 /nfs/dbraw/zinc/82/67/19/1194826719.db2.gz RUBPDTFSOKUYBP-UHFFFAOYSA-N 0 0 317.414 3.369 20 10 DGCDRN C/C(=C\c1ccccn1)C(=O)NCc1cc(Cl)ccc1O ZINC001640924626 1194833126 /nfs/dbraw/zinc/83/31/26/1194833126.db2.gz QADKPDIIULCZFZ-DHZHZOJOSA-N 0 0 302.761 3.160 20 10 DGCDRN COc1cc(CCNC(=O)C2=CC(=O)CS2)ccc1Cl ZINC001641325799 1194848834 /nfs/dbraw/zinc/84/88/34/1194848834.db2.gz NFFOEGXMIJJSFT-UHFFFAOYSA-N 0 0 311.790 3.088 20 10 DGCDRN Cc1nc2ccc(Cl)cn2c1NC(=O)C1=CC(=O)CS1 ZINC001641480062 1194856138 /nfs/dbraw/zinc/85/61/38/1194856138.db2.gz QBEKDSZAXRUVPS-UHFFFAOYSA-N 0 0 307.762 3.316 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cc3c(ccnc3Cl)o2)c1 ZINC001641732893 1194868763 /nfs/dbraw/zinc/86/87/63/1194868763.db2.gz GPCHGCNRZNKONL-UHFFFAOYSA-N 0 0 316.744 3.425 20 10 DGCDRN O=C(Nc1nc2cc(F)c(Cl)cc2[nH]1)c1cccc(O)c1O ZINC001641771487 1194870492 /nfs/dbraw/zinc/87/04/92/1194870492.db2.gz UDTONOYHOINEQM-UHFFFAOYSA-N 0 0 321.695 3.019 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(Cl)c(F)c1N)c1ccccc1O ZINC001642827873 1194944532 /nfs/dbraw/zinc/94/45/32/1194944532.db2.gz UEPLQAYNGPZNFG-MRVPVSSYSA-N 0 0 308.740 3.258 20 10 DGCDRN COc1ccccc1/C(C)=C\C(=O)N1Cc2cccc(O)c2C1 ZINC001643168969 1195000169 /nfs/dbraw/zinc/00/01/69/1195000169.db2.gz LJWRCKQAEUNOLC-RAXLEYEMSA-N 0 0 309.365 3.347 20 10 DGCDRN CCOC(=O)c1cnc(NCc2cccc(Cl)c2O)s1 ZINC001643298778 1195012924 /nfs/dbraw/zinc/01/29/24/1195012924.db2.gz YWOFGNBFUYCVKB-UHFFFAOYSA-N 0 0 312.778 3.291 20 10 DGCDRN C[C@H](NC(=O)C[C@@H](O)c1ccc(Cl)cc1)c1ccccc1O ZINC001643745358 1195051648 /nfs/dbraw/zinc/05/16/48/1195051648.db2.gz MGTAEOHEAAUMPS-MEDUHNTESA-N 0 0 319.788 3.347 20 10 DGCDRN C/C(=C\c1cccc(Cl)c1)C(=O)NCc1cccc(O)c1O ZINC001643813206 1195056701 /nfs/dbraw/zinc/05/67/01/1195056701.db2.gz YYMHUXQQWAEKMQ-DHZHZOJOSA-N 0 0 317.772 3.471 20 10 DGCDRN CC[C@H](Sc1ccccc1)C(=O)NCc1cc(O)ccc1O ZINC001643881762 1195060220 /nfs/dbraw/zinc/06/02/20/1195060220.db2.gz DJSGVQGUNPLDKW-INIZCTEOSA-N 0 0 317.410 3.285 20 10 DGCDRN C[C@@H](CSc1ccccc1)C(=O)NCc1cc(O)ccc1O ZINC001643881820 1195060523 /nfs/dbraw/zinc/06/05/23/1195060523.db2.gz GRUPHZPMFJJQOY-LBPRGKRZSA-N 0 0 317.410 3.142 20 10 DGCDRN O=C(Cc1ccc(Cl)c(F)c1)N1Cc2cccc(O)c2C1 ZINC001644088298 1195080229 /nfs/dbraw/zinc/08/02/29/1195080229.db2.gz NTMCWGICKXPQJS-UHFFFAOYSA-N 0 0 305.736 3.270 20 10 DGCDRN O=C(Cn1ccc2ccc(F)cc21)N1Cc2cccc(O)c2C1 ZINC001644088228 1195080583 /nfs/dbraw/zinc/08/05/83/1195080583.db2.gz KUYAMAZZFBRDGO-UHFFFAOYSA-N 0 0 310.328 3.028 20 10 DGCDRN C[C@@H](Sc1ncc(Cl)s1)C(=O)Nc1nccs1 ZINC001644122377 1195083260 /nfs/dbraw/zinc/08/32/60/1195083260.db2.gz BYQOIGDUKQAXJF-RXMQYKEDSA-N 0 0 305.837 3.372 20 10 DGCDRN COC[C@H]1C[C@@H](NC(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC001644593493 1195119317 /nfs/dbraw/zinc/11/93/17/1195119317.db2.gz MEEPHLYSSGLSDJ-OKILXGFUSA-N 0 0 318.442 3.310 20 10 DGCDRN Cc1[nH]c2c(cccc2C(=O)NCc2cc(O)ccc2O)c1C ZINC001644752440 1195132271 /nfs/dbraw/zinc/13/22/71/1195132271.db2.gz FQUJYIZBKVYEIH-UHFFFAOYSA-N 0 0 310.353 3.126 20 10 DGCDRN CSc1ccc(CCC(=O)NCc2c(O)cccc2O)cc1 ZINC001645365864 1195178406 /nfs/dbraw/zinc/17/84/06/1195178406.db2.gz FHSRMDIPGDPCPB-UHFFFAOYSA-N 0 0 317.410 3.069 20 10 DGCDRN Cc1cnc(F)c(C(=O)NCc2c(O)ccc3ccccc32)c1 ZINC001645443297 1195184025 /nfs/dbraw/zinc/18/40/25/1195184025.db2.gz MEJZLBCLCHRWSX-UHFFFAOYSA-N 0 0 310.328 3.318 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)C1(c2ccccn2)CC1 ZINC001645443807 1195184279 /nfs/dbraw/zinc/18/42/79/1195184279.db2.gz VWJJKWYKQDJXHP-UHFFFAOYSA-N 0 0 318.376 3.288 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 ZINC001645800543 1195201680 /nfs/dbraw/zinc/20/16/80/1195201680.db2.gz IVBTWLSJJQMGEK-LBPRGKRZSA-N 0 0 319.788 3.438 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cn(C)c3ccc(F)cc23)c1 ZINC001645801011 1195201912 /nfs/dbraw/zinc/20/19/12/1195201912.db2.gz ZKHNMJHOMDMILG-UHFFFAOYSA-N 0 0 312.344 3.261 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cc(F)cc2ccncc21 ZINC001646035467 1195211875 /nfs/dbraw/zinc/21/18/75/1195211875.db2.gz WNGCUOPDLVKLGG-UHFFFAOYSA-N 0 0 314.291 3.149 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC(C)(C)[C@@H](C)O)cc1 ZINC001646336859 1195224287 /nfs/dbraw/zinc/22/42/87/1195224287.db2.gz IYLWWUGVYRNEOW-OAHLLOKOSA-N 0 0 314.429 3.231 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cc(C2CC2)on1 ZINC001647788937 1195253210 /nfs/dbraw/zinc/25/32/10/1195253210.db2.gz UVHVFMNGGHMZPU-UHFFFAOYSA-N 0 0 308.337 3.341 20 10 DGCDRN CC(C)c1cccc(C(=O)NCc2cccc(Cl)c2O)n1 ZINC001647830454 1195256854 /nfs/dbraw/zinc/25/68/54/1195256854.db2.gz XDTYRCFMNVELDN-UHFFFAOYSA-N 0 0 304.777 3.494 20 10 DGCDRN Cc1c[nH]c(CNC(=O)c2cc(C)ccc2-n2c(C)ccc2C)n1 ZINC001647988413 1195269456 /nfs/dbraw/zinc/26/94/56/1195269456.db2.gz AWGLYACZXYIHLT-UHFFFAOYSA-N 0 0 322.412 3.364 20 10 DGCDRN C[C@@H](N[C@@H](C)c1ccccc1O)c1nc(-c2cccnc2)no1 ZINC001648054287 1195274041 /nfs/dbraw/zinc/27/40/41/1195274041.db2.gz TUGPMXJSURWFLU-NWDGAFQWSA-N 0 0 310.357 3.249 20 10 DGCDRN Cc1noc(C(F)F)c1C(=O)NCc1cccc(Cl)c1O ZINC001648606298 1195312968 /nfs/dbraw/zinc/31/29/68/1195312968.db2.gz MVGJYFWYYUGYCS-UHFFFAOYSA-N 0 0 316.691 3.210 20 10 DGCDRN COc1ccc(N(CCCO)Cc2ccccc2)cc1OC ZINC001648667747 1195321012 /nfs/dbraw/zinc/32/10/12/1195321012.db2.gz CILMBGZKTLPTSP-UHFFFAOYSA-N 0 0 301.386 3.093 20 10 DGCDRN O=C(c1cnc2ccc(F)cc2c1)N1Cc2cccc(O)c2C1 ZINC001650674491 1195370211 /nfs/dbraw/zinc/37/02/11/1195370211.db2.gz FHZXBDZWDBIKIG-UHFFFAOYSA-N 0 0 308.312 3.236 20 10 DGCDRN COCCCn1ccc(NCc2cc(Cl)cc(F)c2O)n1 ZINC001650769190 1195380912 /nfs/dbraw/zinc/38/09/12/1195380912.db2.gz DFGUNCXXRQCQIN-UHFFFAOYSA-N 0 0 313.760 3.030 20 10 DGCDRN Cc1cc(C(=O)Nc2ccncc2O)c(C)n1-c1cccc(C)c1 ZINC001650783436 1195382520 /nfs/dbraw/zinc/38/25/20/1195382520.db2.gz MFTNYTSVSQUSKL-UHFFFAOYSA-N 0 0 321.380 3.177 20 10 DGCDRN CCSc1ccccc1C(=O)NCc1cccc(O)c1O ZINC001651173080 1195423717 /nfs/dbraw/zinc/42/37/17/1195423717.db2.gz PSTSOKODYIUKAO-UHFFFAOYSA-N 0 0 303.383 3.140 20 10 DGCDRN COc1cc2c(cc1NCc1cc(F)ccc1O)NC(=O)CC2 ZINC001652124787 1195550675 /nfs/dbraw/zinc/55/06/75/1195550675.db2.gz YULZEAFOCDGQNR-UHFFFAOYSA-N 0 0 316.332 3.037 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1c[nH]cc1Cc1ccccc1 ZINC001652298954 1195578031 /nfs/dbraw/zinc/57/80/31/1195578031.db2.gz WDINOHZELORCPA-UHFFFAOYSA-N 0 0 324.355 3.380 20 10 DGCDRN CC(C)[C@H](CO)[C@@H]([NH2+]Cc1cc(F)c(F)cc1[O-])C(C)C ZINC001652500219 1195607354 /nfs/dbraw/zinc/60/73/54/1195607354.db2.gz SZGCUUHUSVIGQG-LRDDRELGSA-N 0 0 301.377 3.049 20 10 DGCDRN CCOC(=O)[C@@H]1C2CCC(CC2)N1Cc1ccc(Cl)cc1O ZINC001652520143 1195610170 /nfs/dbraw/zinc/61/01/70/1195610170.db2.gz TTZMDVPJRJGSOP-INORYPFCSA-N 0 0 323.820 3.352 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1ccc(O)c(F)c1 ZINC001652708559 1195638643 /nfs/dbraw/zinc/63/86/43/1195638643.db2.gz HTBXVOJHAGUVKM-UHFFFAOYSA-N 0 0 311.312 3.320 20 10 DGCDRN COc1ccc(N(CCc2ccccc2)CC(OC)OC)cc1 ZINC001652802563 1195653815 /nfs/dbraw/zinc/65/38/15/1195653815.db2.gz RVKKPZDGVQXMCJ-UHFFFAOYSA-N 0 0 315.413 3.363 20 10 DGCDRN CN(Cc1ncccc1Br)c1ccc2c(c1)OCO2 ZINC001652925849 1195672539 /nfs/dbraw/zinc/67/25/39/1195672539.db2.gz QTVOMBHZKPDTEM-UHFFFAOYSA-N 0 0 321.174 3.209 20 10 DGCDRN COC(=O)c1cc(OCc2cc(Cl)ccn2)ccc1N(C)C ZINC001653037277 1195682373 /nfs/dbraw/zinc/68/23/73/1195682373.db2.gz VCFDEZZKXKQPQJ-UHFFFAOYSA-N 0 0 320.776 3.167 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H](CCO)C1CCCC1 ZINC001653162333 1195694067 /nfs/dbraw/zinc/69/40/67/1195694067.db2.gz SEJDRIWDGVEIFM-CQSZACIVSA-N 0 0 301.789 3.216 20 10 DGCDRN COc1ccc(N(CC[C@@H](C)O)Cc2ccccc2)cc1OC ZINC001655149147 1195882235 /nfs/dbraw/zinc/88/22/35/1195882235.db2.gz YQWIOWXHRFLMAW-OAHLLOKOSA-N 0 0 315.413 3.481 20 10 DGCDRN Cc1cc(NCc2c(O)cccc2F)nc(-c2ccccn2)n1 ZINC001655875966 1195972556 /nfs/dbraw/zinc/97/25/56/1195972556.db2.gz KQGGHSGVUQVBMN-UHFFFAOYSA-N 0 0 310.332 3.304 20 10 DGCDRN COC(=O)c1cnc(SCCOc2ccccc2F)s1 ZINC001656581263 1196052282 /nfs/dbraw/zinc/05/22/82/1196052282.db2.gz XEIXNBKVORMSET-UHFFFAOYSA-N 0 0 313.375 3.240 20 10 DGCDRN O=[N+]([O-])c1ccc(Cl)c(CNCc2ccc3c(c2)CCO3)c1 ZINC001656896126 1196081187 /nfs/dbraw/zinc/08/11/87/1196081187.db2.gz FYYGUJDLHQFKPO-UHFFFAOYSA-N 0 0 318.760 3.473 20 10 DGCDRN CNC(=O)Cc1ccccc1NCc1cc(Cl)cc(F)c1O ZINC001657493968 1196149073 /nfs/dbraw/zinc/14/90/73/1196149073.db2.gz NEYVNGKLPAAPNB-UHFFFAOYSA-N 0 0 322.767 3.085 20 10 DGCDRN CC(C)CNC(=O)C1([NH2+]Cc2cccc(Cl)c2[O-])CCCC1 ZINC001657834524 1196182756 /nfs/dbraw/zinc/18/27/56/1196182756.db2.gz WEXXZLFVMLXZCA-UHFFFAOYSA-N 0 0 324.852 3.220 20 10 DGCDRN COc1ccc(N(C)CCN(C)c2ccccc2)c(OC)c1 ZINC001657869883 1196189258 /nfs/dbraw/zinc/18/92/58/1196189258.db2.gz WWISRKSDCYMYFH-UHFFFAOYSA-N 0 0 300.402 3.276 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@H]1CCc2ccccc2OC1 ZINC001657898232 1196191443 /nfs/dbraw/zinc/19/14/43/1196191443.db2.gz ZZKLFBNEHAHOAZ-ZDUSSCGKSA-N 0 0 305.324 3.154 20 10 DGCDRN CC(C)(C)CC[C@@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC001657905060 1196192192 /nfs/dbraw/zinc/19/21/92/1196192192.db2.gz JMOZSYRLVFDVRP-NSHDSACASA-N 0 0 303.805 3.462 20 10 DGCDRN COc1cc(F)ccc1NC(=O)N1Cc2cccc(O)c2C1 ZINC001657934654 1196194979 /nfs/dbraw/zinc/19/49/79/1196194979.db2.gz GBWVQLMKNXJEJL-UHFFFAOYSA-N 0 0 302.305 3.088 20 10 DGCDRN CC(=O)c1ccc(NC(=O)NCc2c(O)cccc2F)cc1 ZINC001658120107 1196214053 /nfs/dbraw/zinc/21/40/53/1196214053.db2.gz RMXCPFMFXWRIKQ-UHFFFAOYSA-N 0 0 302.305 3.056 20 10 DGCDRN CN(c1ccccc1)[C@H]1CC[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001658641766 1196283237 /nfs/dbraw/zinc/28/32/37/1196283237.db2.gz HQWOHJZGXZGMSI-HNNXBMFYSA-N 0 0 318.367 3.381 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC[C@H](O)C1CCCC1 ZINC001658757571 1196296925 /nfs/dbraw/zinc/29/69/25/1196296925.db2.gz WMLKCZIJGPAUJF-AWEZNQCLSA-N 0 0 301.789 3.216 20 10 DGCDRN Cc1ccc([C@@H]2COCCN2Cc2cc(F)c(F)cc2O)o1 ZINC001658895127 1196315811 /nfs/dbraw/zinc/31/58/11/1196315811.db2.gz NGUWOUAHPZUDMP-AWEZNQCLSA-N 0 0 309.312 3.145 20 10 DGCDRN COC(=O)c1ccccc1CC[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001658970120 1196325935 /nfs/dbraw/zinc/32/59/35/1196325935.db2.gz UNNJYQLQTNOTED-UHFFFAOYSA-N 0 0 319.788 3.165 20 10 DGCDRN Oc1cc(F)c(F)cc1CN1CCO[C@H](Cc2ccccc2)C1 ZINC001659218776 1196360052 /nfs/dbraw/zinc/36/00/52/1196360052.db2.gz QYZPTXJYALRYJW-OAHLLOKOSA-N 0 0 319.351 3.114 20 10 DGCDRN Cc1cccc(N2CC[NH+](Cc3cc(F)cc(F)c3[O-])CC2)c1 ZINC001659280457 1196366758 /nfs/dbraw/zinc/36/67/58/1196366758.db2.gz KIONAFOEDDHHRH-UHFFFAOYSA-N 0 0 318.367 3.301 20 10 DGCDRN COc1ccc(N(C)CC(=O)Nc2cc(F)ccc2F)cc1 ZINC001659289173 1196368387 /nfs/dbraw/zinc/36/83/87/1196368387.db2.gz WXSZGSIFVSHFQO-UHFFFAOYSA-N 0 0 306.312 3.048 20 10 DGCDRN CN(C)c1cc(F)c(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1F ZINC001659373608 1196376671 /nfs/dbraw/zinc/37/66/71/1196376671.db2.gz SDWXUTVJCYOZGR-SJORKVTESA-N 0 0 324.415 3.420 20 10 DGCDRN CC[C@H](C)C[C@@H](NCc1cc(Cl)c(C)cc1O)C(=O)OC ZINC001659531603 1196392524 /nfs/dbraw/zinc/39/25/24/1196392524.db2.gz HZGXGZYRUKLVJY-IINYFYTJSA-N 0 0 313.825 3.421 20 10 DGCDRN Cc1ccc(CN(CC(=O)OC(C)(C)C)C2CCC2)c(O)c1 ZINC001659552798 1196394646 /nfs/dbraw/zinc/39/46/46/1196394646.db2.gz FQSNMVBJMATZLP-UHFFFAOYSA-N 0 0 305.418 3.397 20 10 DGCDRN O=C1CC[C@@H](c2cccc(NCc3cc(F)ccc3O)c2)N1 ZINC001660041604 1196440402 /nfs/dbraw/zinc/44/04/02/1196440402.db2.gz NIVCALGWMZIFQB-HNNXBMFYSA-N 0 0 300.333 3.095 20 10 DGCDRN C[C@@H]1CCC[C@@](C[NH2+]Cc2cc(F)cc(F)c2[O-])(N(C)C)C1 ZINC001661084465 1196563627 /nfs/dbraw/zinc/56/36/27/1196563627.db2.gz WDHRJTIBOUDSGC-SJKOYZFVSA-N 0 0 312.404 3.271 20 10 DGCDRN CCN1CCCC[C@H]1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001661412089 1196603611 /nfs/dbraw/zinc/60/36/11/1196603611.db2.gz YHQYRQYYUCIXJF-ZDUSSCGKSA-N 0 0 300.805 3.149 20 10 DGCDRN C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001661421083 1196604135 /nfs/dbraw/zinc/60/41/35/1196604135.db2.gz SQWYDWLDAJYQDO-ZBEGNZNMSA-N 0 0 323.795 3.439 20 10 DGCDRN CC(C)[C@@H](NCc1ccc2c(c1)CCCO2)C(=O)OC(C)(C)C ZINC001662048242 1196677098 /nfs/dbraw/zinc/67/70/98/1196677098.db2.gz QFMGKHHQOMSVIF-QGZVFWFLSA-N 0 0 319.445 3.468 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@@H](c1ccccc1)N(C)C ZINC001662266266 1196701198 /nfs/dbraw/zinc/70/11/98/1196701198.db2.gz LNGUTSDURLHIGH-PXAZEXFGSA-N 0 0 320.383 3.451 20 10 DGCDRN CC(C)N(C)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001662814621 1196754960 /nfs/dbraw/zinc/75/49/60/1196754960.db2.gz DHSUCLAMGJFFKD-UHFFFAOYSA-N 0 0 309.373 3.268 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2CCCc3ccccc3C2)c1 ZINC001663382630 1196851579 /nfs/dbraw/zinc/85/15/79/1196851579.db2.gz QFSOKIPLRRJZDA-MRXNPFEDSA-N 0 0 312.369 3.338 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2CCCc3ccccc3C2)c1 ZINC001663382629 1196851673 /nfs/dbraw/zinc/85/16/73/1196851673.db2.gz QFSOKIPLRRJZDA-INIZCTEOSA-N 0 0 312.369 3.338 20 10 DGCDRN CCn1cnc(Cl)c1CN(C)Cc1ccc(N(C)C)cc1 ZINC001663519891 1196893262 /nfs/dbraw/zinc/89/32/62/1196893262.db2.gz BPICAEYUUHMZDJ-UHFFFAOYSA-N 0 0 306.841 3.254 20 10 DGCDRN CCOC(=O)CN(C/C=C/c1ccc(N(C)C)cc1)C(C)C ZINC001663855276 1196951246 /nfs/dbraw/zinc/95/12/46/1196951246.db2.gz OTXFEVOLOYVPER-BQYQJAHWSA-N 0 0 304.434 3.039 20 10 DGCDRN Cc1cc(O)c(CNc2cc(C)cc(C(N)=O)c2)c(Cl)c1 ZINC001664781091 1197055958 /nfs/dbraw/zinc/05/59/58/1197055958.db2.gz YQGAYWORUFIWSX-UHFFFAOYSA-N 0 0 304.777 3.373 20 10 DGCDRN CCC(O)(CC)C(C)(C)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC001665233624 1197112268 /nfs/dbraw/zinc/11/22/68/1197112268.db2.gz PEQJZYLMJIBTOF-UHFFFAOYSA-N 0 0 301.377 3.337 20 10 DGCDRN Cn1cc(-c2ccc(C[NH2+]Cc3c([O-])cccc3F)cc2)cn1 ZINC001665711742 1197179358 /nfs/dbraw/zinc/17/93/58/1197179358.db2.gz DQEHWAWKLKGUEM-UHFFFAOYSA-N 0 0 311.360 3.222 20 10 DGCDRN O=C(NCc1c(O)cccc1F)Nc1nc2c(s1)CCCC2 ZINC001667730761 1197383345 /nfs/dbraw/zinc/38/33/45/1197383345.db2.gz DGPGWHLQNABKII-UHFFFAOYSA-N 0 0 321.377 3.188 20 10 DGCDRN COc1cc(C)ccc1NC(=O)NCc1c(O)cccc1F ZINC001668032690 1197396429 /nfs/dbraw/zinc/39/64/29/1197396429.db2.gz ODXAJRYVFHYLIF-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN C[C@H](NC(=O)Nc1ccc([S@](C)=O)cc1)c1ccccc1O ZINC001668527316 1197417865 /nfs/dbraw/zinc/41/78/65/1197417865.db2.gz NAKQFJYWXMOICN-SAHAZLINSA-N 0 0 318.398 3.012 20 10 DGCDRN CC(=O)c1ccc(NC(=O)NCc2c(O)cccc2F)cc1C ZINC001669450029 1197455394 /nfs/dbraw/zinc/45/53/94/1197455394.db2.gz KNPNSOZUHABJBU-UHFFFAOYSA-N 0 0 316.332 3.364 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCC(F)(F)c2ccccc2)c1 ZINC001673376931 1197653980 /nfs/dbraw/zinc/65/39/80/1197653980.db2.gz HWLPOTHHRPFZKV-UHFFFAOYSA-N 0 0 320.339 3.292 20 10 DGCDRN C[C@@H](NC(=O)Nc1ccc([S@@](C)=O)cc1)c1ccccc1O ZINC001674535867 1197794874 /nfs/dbraw/zinc/79/48/74/1197794874.db2.gz NAKQFJYWXMOICN-RKFFSXRUSA-N 0 0 318.398 3.012 20 10 DGCDRN O=C(NCC=C(Cl)Cl)NCc1cccc(Cl)c1O ZINC001674928067 1197923234 /nfs/dbraw/zinc/92/32/34/1197923234.db2.gz KLVXHYPEVQTSPR-UHFFFAOYSA-N 0 0 309.580 3.164 20 10 DGCDRN C[C@@H]1CCC(C)(C)N1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001676247019 1198260313 /nfs/dbraw/zinc/26/03/13/1198260313.db2.gz GYAREKZXWCEZNF-GFCCVEGCSA-N 0 0 307.413 3.364 20 10 DGCDRN CCCCC1(NC(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC001676247457 1198260747 /nfs/dbraw/zinc/26/07/47/1198260747.db2.gz SZUIKYIZTCPFCE-UHFFFAOYSA-N 0 0 307.413 3.414 20 10 DGCDRN Cc1cc(F)c(CNC(=O)NCc2c(O)cccc2F)c(F)c1 ZINC001676315770 1198287005 /nfs/dbraw/zinc/28/70/05/1198287005.db2.gz VWWACFCKHIOSJZ-UHFFFAOYSA-N 0 0 324.302 3.117 20 10 DGCDRN COc1cc(NC(=O)N2Cc3cccc(O)c3C2)ccc1F ZINC001676381972 1198306537 /nfs/dbraw/zinc/30/65/37/1198306537.db2.gz MFXKSUOXKRJTKU-UHFFFAOYSA-N 0 0 302.305 3.088 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H](C)c2ccccc2O)cc1F ZINC001677058839 1198471464 /nfs/dbraw/zinc/47/14/64/1198471464.db2.gz SXYSBYWJCSWNIH-NSHDSACASA-N 0 0 318.348 3.100 20 10 DGCDRN O=C(NCc1c(O)cccc1F)N[C@@H]1CCc2ccc(F)cc21 ZINC001677287535 1198509885 /nfs/dbraw/zinc/50/98/85/1198509885.db2.gz FFXIXOWDNYHPHC-OAHLLOKOSA-N 0 0 318.323 3.157 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC001677373737 1198524492 /nfs/dbraw/zinc/52/44/92/1198524492.db2.gz JPPKWVDMQQCWIZ-CALCHBBNSA-N 0 0 315.461 3.474 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001677378517 1198525623 /nfs/dbraw/zinc/52/56/23/1198525623.db2.gz YWUFPRDSAAFJQQ-HFTRVMKXSA-N 0 0 315.461 3.296 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC001677378519 1198525720 /nfs/dbraw/zinc/52/57/20/1198525720.db2.gz YWUFPRDSAAFJQQ-QILLFSRXSA-N 0 0 315.461 3.296 20 10 DGCDRN Cc1cccc(F)c1CNC(=O)NCc1cc(Cl)ccc1O ZINC001678053519 1198626786 /nfs/dbraw/zinc/62/67/86/1198626786.db2.gz KZJWBIUBDYROCL-UHFFFAOYSA-N 0 0 322.767 3.493 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CCC[C@H]1C ZINC001678493352 1198689888 /nfs/dbraw/zinc/68/98/88/1198689888.db2.gz KCDBMHXORJZYSM-QIIPPGSGSA-N 0 0 317.477 3.480 20 10 DGCDRN Cc1cc(NC(=O)NCc2ccccc2O)cnc1C(F)F ZINC001681082219 1198943591 /nfs/dbraw/zinc/94/35/91/1198943591.db2.gz FHQSRSXIROLIBS-UHFFFAOYSA-N 0 0 307.300 3.355 20 10 DGCDRN COC[C@@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC001681551016 1199032732 /nfs/dbraw/zinc/03/27/32/1199032732.db2.gz BOOJHGHZEXKCBE-GDBMZVCRSA-N 0 0 321.465 3.031 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC(C)(C)/C=C\Cl ZINC001684306125 1199374496 /nfs/dbraw/zinc/37/44/96/1199374496.db2.gz WBOPJMXUCQKPSZ-HJWRWDBZSA-N 0 0 309.841 3.391 20 10 DGCDRN Cc1cc(CCNC(=O)N[C@H]2CC23CC3)c(C)n1-c1ccccc1 ZINC001684322114 1199376639 /nfs/dbraw/zinc/37/66/39/1199376639.db2.gz ILRDOZVQGAFURZ-SFHVURJKSA-N 0 0 323.440 3.488 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@@H](CF)c1ccc(F)cc1 ZINC001684844308 1199418912 /nfs/dbraw/zinc/41/89/12/1199418912.db2.gz RLPVQWDYHULVBT-AWEZNQCLSA-N 0 0 306.312 3.041 20 10 DGCDRN O=C(NCc1cscc1Cl)N1Cc2cccc(O)c2C1 ZINC001685314048 1199465321 /nfs/dbraw/zinc/46/53/21/1199465321.db2.gz DEHCLHRRBZVAMV-UHFFFAOYSA-N 0 0 308.790 3.333 20 10 DGCDRN C[C@@H](NC(=O)N1Cc2cccc(O)c2C1)c1ccc(F)cc1 ZINC001685608507 1199494234 /nfs/dbraw/zinc/49/42/34/1199494234.db2.gz ZHAAYLZKYCWPLC-LLVKDONJSA-N 0 0 300.333 3.318 20 10 DGCDRN CC(C)C[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000112642520 1199649607 /nfs/dbraw/zinc/64/96/07/1199649607.db2.gz ZNYJABYMDXMRIU-UHFFFAOYSA-N 0 0 317.260 3.473 20 10 DGCDRN CCOc1ccccc1NC[C@@H](O)COc1ccc(F)cc1 ZINC000315087782 1199800180 /nfs/dbraw/zinc/80/01/80/1199800180.db2.gz LNLUHVKWCPSGKG-CQSZACIVSA-N 0 0 305.349 3.076 20 10 DGCDRN CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1[C@H]1C[C@@H]1C ZINC001692079818 1200923456 /nfs/dbraw/zinc/92/34/56/1200923456.db2.gz FZBZRZDRLKAYDN-ZFWWWQNUSA-N 0 0 314.433 3.400 20 10 DGCDRN CCCn1c(N(C)Cc2ccccc2O)nnc1C(C)(C)C ZINC001709756943 1202590759 /nfs/dbraw/zinc/59/07/59/1202590759.db2.gz IJZZNEGLUIJQDG-UHFFFAOYSA-N 0 0 302.422 3.328 20 10 DGCDRN COc1cccc(-c2noc(/C=C/c3ccc(O)c(O)c3)n2)c1 ZINC000185187576 1202844162 /nfs/dbraw/zinc/84/41/62/1202844162.db2.gz IYBHBKDQYSDUEP-SOFGYWHQSA-N 0 0 310.309 3.327 20 10 DGCDRN CCN(C)c1ccc(C[N@@H+]2CCC[C@](CC)(C(=O)[O-])C2)cc1 ZINC001589714726 950362237 /nfs/dbraw/zinc/36/22/37/950362237.db2.gz DDKZBUARZLRJHF-SFHVURJKSA-N 0 0 304.434 3.220 20 10 DGCDRN CN(C)c1ccc(/C=C/C[NH2+]Cc2ccc(C(=O)[O-])cc2)cc1 ZINC001593709016 954171274 /nfs/dbraw/zinc/17/12/74/954171274.db2.gz PCZGTJBHSBMQFP-ONEGZZNKSA-N 0 0 310.397 3.254 20 10 DGCDRN CN(C)c1cc(F)c(C[NH2+]Cc2ccccc2C(=O)[O-])cc1F ZINC001593711416 954190387 /nfs/dbraw/zinc/19/03/87/954190387.db2.gz WDQGNVWRORZBCL-UHFFFAOYSA-N 0 0 320.339 3.019 20 10 DGCDRN O=C([O-])[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)c2ccccc21 ZINC001594900417 954623773 /nfs/dbraw/zinc/62/37/73/954623773.db2.gz OBDKHNXVUHCFJQ-BZUAXINKSA-N 0 0 309.365 3.282 20 10 DGCDRN COc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccc(F)cc2)cc1C ZINC001574214622 962937666 /nfs/dbraw/zinc/93/76/66/962937666.db2.gz ZXNRMZBVMYAPHH-INIZCTEOSA-N 0 0 303.333 3.058 20 10 DGCDRN C[C@@H](CC(C)(C)CC(=O)[O-])[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001592446530 978125346 /nfs/dbraw/zinc/12/53/46/978125346.db2.gz ZDYSCKMULCMKCS-LBPRGKRZSA-N 0 0 310.413 3.261 20 10 DGCDRN CC[C@H]([NH2+]Cc1cccc(OCC(=O)[O-])c1)c1ccccc1O ZINC001595304850 980440529 /nfs/dbraw/zinc/44/05/29/980440529.db2.gz JKDRBIDXTZOASP-INIZCTEOSA-N 0 0 315.369 3.097 20 10 DGCDRN CCC[C@@](C)([NH2+]Cc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC001595560079 981445559 /nfs/dbraw/zinc/44/55/59/981445559.db2.gz SGDONYJEOLIWMP-GOSISDBHSA-N 0 0 304.434 3.410 20 10 DGCDRN CC[C@H](C)C[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)C(=O)[O-] ZINC001594954324 982685946 /nfs/dbraw/zinc/68/59/46/982685946.db2.gz XUQHDADMHXJFKP-JOYOIKCWSA-N 0 0 315.797 3.033 20 10 DGCDRN CC[N@H+](Cc1cc(C)c(C(=O)[O-])[nH]1)Cc1ccc(N(C)C)cc1 ZINC001596365025 983857230 /nfs/dbraw/zinc/85/72/30/983857230.db2.gz XBJICSXIVUTXNO-UHFFFAOYSA-N 0 0 315.417 3.109 20 10 DGCDRN CCOC1(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)CCCC1 ZINC001596796833 985294797 /nfs/dbraw/zinc/29/47/97/985294797.db2.gz OWELOPXETLRWIJ-GFCCVEGCSA-N 0 0 307.390 3.090 20 10 DGCDRN CCOC1(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)CCCC1 ZINC001596796834 985294887 /nfs/dbraw/zinc/29/48/87/985294887.db2.gz OWELOPXETLRWIJ-LBPRGKRZSA-N 0 0 307.390 3.090 20 10 DGCDRN C[C@@H]1C[NH+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C[C@H]1C ZINC001594533173 986136036 /nfs/dbraw/zinc/13/60/36/986136036.db2.gz BDCJTJACZFBABB-GHMZBOCLSA-N 0 0 304.365 3.103 20 10 DGCDRN C[C@H](C(=O)[O-])[N@H+](C/C=C/c1ccc(N(C)C)cc1)C1CCC1 ZINC001589485673 987018858 /nfs/dbraw/zinc/01/88/58/987018858.db2.gz BJZDHHDQLDTBPS-VBROQKIQSA-N 0 0 302.418 3.093 20 10 DGCDRN CCc1cccc(C[N@H+](CC2CC2)[C@](C)(CC)C(=O)[O-])c1O ZINC001597586534 988405035 /nfs/dbraw/zinc/40/50/35/988405035.db2.gz GLUFXJFCBGWGHX-GOSISDBHSA-N 0 0 305.418 3.420 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)c1cc(C(=O)[O-])ccc1O ZINC001593230047 994356499 /nfs/dbraw/zinc/35/64/99/994356499.db2.gz BFEUYJSZAGBQHV-RBOXIYTFSA-N 0 0 321.417 3.335 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)c1cc(C(=O)[O-])ccc1O ZINC001593230046 994357128 /nfs/dbraw/zinc/35/71/28/994357128.db2.gz BFEUYJSZAGBQHV-NORZTCDRSA-N 0 0 321.417 3.335 20 10 DGCDRN C[C@@H]([NH2+]CC(C)(C)c1cccnc1)c1cc(C(=O)[O-])ccc1O ZINC001593241265 994437158 /nfs/dbraw/zinc/43/71/58/994437158.db2.gz YYSYDKQNVNNNLE-GFCCVEGCSA-N 0 0 314.385 3.114 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(F)c(F)c1)c1cc(C(=O)[O-])ccc1O ZINC001593298508 994715078 /nfs/dbraw/zinc/71/50/78/994715078.db2.gz KAKPYOIWTGSYMN-VIFPVBQESA-N 0 0 307.296 3.219 20 10 DGCDRN COC1(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)CCC(C)CC1 ZINC001599091182 997194876 /nfs/dbraw/zinc/19/48/76/997194876.db2.gz LETPRSHPOQLEPO-XYEKJYRLSA-N 0 0 321.417 3.336 20 10 DGCDRN COc1ccc(C)cc1C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001599534720 997722174 /nfs/dbraw/zinc/72/21/74/997722174.db2.gz RYTRTFFIQQTRTF-LBPRGKRZSA-N 0 0 315.369 3.258 20 10 DGCDRN CCO/C=C/C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC001169944300 1081680930 /nfs/dbraw/zinc/68/09/30/1081680930.db2.gz QWHLZGPNJROZFW-ACCUITESSA-N 0 0 312.413 3.303 20 10 DGCDRN COC(=O)c1c(Cl)nccc1Nc1ccc2c(c1)OCCN2 ZINC001209713603 1081790724 /nfs/dbraw/zinc/79/07/24/1081790724.db2.gz DPHBKZUKDMZURT-UHFFFAOYSA-N 0 0 319.748 3.070 20 10 DGCDRN Oc1ccc(CNc2cc(Cl)nc3cccnc32)cc1O ZINC001169993658 1081802036 /nfs/dbraw/zinc/80/20/36/1081802036.db2.gz WWUUGZXZAIHARP-UHFFFAOYSA-N 0 0 301.733 3.307 20 10 DGCDRN CC(C)[S@](=O)c1ccc(NCc2ccc(O)c(O)c2)cc1 ZINC001169994464 1081814750 /nfs/dbraw/zinc/81/47/50/1081814750.db2.gz AYAVSFJTDXAEBC-NRFANRHFSA-N 0 0 305.399 3.226 20 10 DGCDRN Oc1ccc(CNc2cnc(Oc3ccccc3)nc2)cc1O ZINC001169994837 1081816673 /nfs/dbraw/zinc/81/66/73/1081816673.db2.gz JXIFXHUDCAVLHH-UHFFFAOYSA-N 0 0 309.325 3.292 20 10 DGCDRN Cc1ccc(C(=O)NC[C@@H]2C[C@H]2Cc2ccccc2)c(O)c1O ZINC001648797931 1081818213 /nfs/dbraw/zinc/81/82/13/1081818213.db2.gz KWMUCMTUTDUORY-CABCVRRESA-N 0 0 311.381 3.015 20 10 DGCDRN Oc1ccc(Br)c(NCc2ccc(O)c(O)c2)c1 ZINC001169996648 1081819743 /nfs/dbraw/zinc/81/97/43/1081819743.db2.gz FGSLZAVPUDWULA-UHFFFAOYSA-N 0 0 310.147 3.178 20 10 DGCDRN CC1(C)Cc2c(NCc3ccc(O)c(O)c3)cccc2NC1=O ZINC001169996792 1081820030 /nfs/dbraw/zinc/82/00/30/1081820030.db2.gz FQOOWVJKDSXVOU-UHFFFAOYSA-N 0 0 312.369 3.231 20 10 DGCDRN O=C1NCCC/C1=C\c1cccc(NCc2ccc(O)c(O)c2)c1 ZINC001169997141 1081822264 /nfs/dbraw/zinc/82/22/64/1081822264.db2.gz SINHGQDOQAOIDA-OQLLNIDSSA-N 0 0 324.380 3.003 20 10 DGCDRN C[C@H](NC(=O)c1cc(Br)co1)c1ccccc1O ZINC001648894905 1081954909 /nfs/dbraw/zinc/95/49/09/1081954909.db2.gz VVXJDOZBPULOFI-QMMMGPOBSA-N 0 0 310.147 3.239 20 10 DGCDRN CN(CCC[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1F ZINC001648891664 1081956096 /nfs/dbraw/zinc/95/60/96/1081956096.db2.gz NOCYARGBBZTJDU-UHFFFAOYSA-N 0 0 324.346 3.426 20 10 DGCDRN Cc1nc2ccc(NC(=O)/C=C\c3ccc(O)c(O)c3)cc2o1 ZINC000588403189 1082145374 /nfs/dbraw/zinc/14/53/74/1082145374.db2.gz AQFNWVUSBXRPLD-CLTKARDFSA-N 0 0 310.309 3.199 20 10 DGCDRN CSc1ccccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403669 1082147546 /nfs/dbraw/zinc/14/75/46/1082147546.db2.gz UUBTVXVPQJOYJH-CLFYSBASSA-N 0 0 301.367 3.472 20 10 DGCDRN CN(Cc1ccc(F)c(F)c1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588405440 1082150008 /nfs/dbraw/zinc/15/00/08/1082150008.db2.gz QYZOMOBRSYAFQP-DAXSKMNVSA-N 0 0 319.307 3.048 20 10 DGCDRN O=C(C=Cc1ccc(O)c(O)c1)Nc1cccc(-c2cc[nH]n2)c1 ZINC000588405507 1082150278 /nfs/dbraw/zinc/15/02/78/1082150278.db2.gz ZHJZJDCAABSCBO-ALCCZGGFSA-N 0 0 321.336 3.140 20 10 DGCDRN Nc1ccc(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1 ZINC000063063581 1082235457 /nfs/dbraw/zinc/23/54/57/1082235457.db2.gz QCZLVSQDAJMODL-UHFFFAOYSA-N 0 0 316.304 3.306 20 10 DGCDRN Cc1cccc(N2CCN(Cc3ccc(Cl)cc3O)CC2)n1 ZINC001140461816 1082258617 /nfs/dbraw/zinc/25/86/17/1082258617.db2.gz ULUAEURHYDDCPF-UHFFFAOYSA-N 0 0 317.820 3.071 20 10 DGCDRN O=C(CNc1ccc(-c2ccccc2)nc1)c1ccc(O)c(O)c1 ZINC001170315200 1082345008 /nfs/dbraw/zinc/34/50/08/1082345008.db2.gz UBCNYTOFJXCNON-UHFFFAOYSA-N 0 0 320.348 3.455 20 10 DGCDRN Cc1cc(C)c2c(c1)N(C(=O)/C=C/c1cnccc1C)CCO2 ZINC001130699524 1082607698 /nfs/dbraw/zinc/60/76/98/1082607698.db2.gz GXBVIEVXCZUEJF-SNAWJCMRSA-N 0 0 308.381 3.446 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)/C=C2\CC[C@@H](C)C2)cc1 ZINC001130745446 1082610513 /nfs/dbraw/zinc/61/05/13/1082610513.db2.gz WXSFWPKUNKTRNT-DPEHCCBOSA-N 0 0 316.445 3.336 20 10 DGCDRN Cc1cc(CNC(=O)c2ccccn2)c(C)n1-c1ccccc1 ZINC001132048151 1082806012 /nfs/dbraw/zinc/80/60/12/1082806012.db2.gz LDRDWEKQRURDIG-UHFFFAOYSA-N 0 0 305.381 3.419 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N=S2(=O)CCCC2)cc1 ZINC001132285090 1082866431 /nfs/dbraw/zinc/86/64/31/1082866431.db2.gz BZQZGBIVXKZUME-UHFFFAOYSA-N 0 0 316.426 3.496 20 10 DGCDRN COC(=O)[C@H](C(C)C)N(C)Cc1ccc(N(C)C)cc1Cl ZINC001140926697 1083188561 /nfs/dbraw/zinc/18/85/61/1083188561.db2.gz QQCAXVWTVQFQAU-HNNXBMFYSA-N 0 0 312.841 3.035 20 10 DGCDRN COc1ccc(CNC(=O)OCc2ccc(Cl)cc2)c(O)c1 ZINC001211648266 1083193384 /nfs/dbraw/zinc/19/33/84/1083193384.db2.gz IHWHYJTYPFZVLY-UHFFFAOYSA-N 0 0 321.760 3.481 20 10 DGCDRN CCCCN(Cc1nc(CO)cs1)Cc1ccccc1O ZINC001181184906 1083424424 /nfs/dbraw/zinc/42/44/24/1083424424.db2.gz KSBQCHIFDDXSBX-UHFFFAOYSA-N 0 0 306.431 3.143 20 10 DGCDRN O=C(Cc1cccc2[nH]ccc21)N1CCc2cccc(O)c2C1 ZINC001181723465 1083522459 /nfs/dbraw/zinc/52/24/59/1083522459.db2.gz NEFCIUDYDXSDIQ-UHFFFAOYSA-N 0 0 306.365 3.001 20 10 DGCDRN O=C(Cc1occ2ccccc21)N1CCc2cccc(O)c2C1 ZINC001182497963 1083734198 /nfs/dbraw/zinc/73/41/98/1083734198.db2.gz AHCWPMMHDUPALU-UHFFFAOYSA-N 0 0 307.349 3.266 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH+]1CCC(C2CCOCC2)CC1 ZINC001182522724 1083746438 /nfs/dbraw/zinc/74/64/38/1083746438.db2.gz VVYUBKRXVIIWAK-UHFFFAOYSA-N 0 0 311.372 3.309 20 10 DGCDRN CSc1ccccc1[C@@H](C)NC(=O)c1c(F)ccc(O)c1O ZINC001183268655 1083915710 /nfs/dbraw/zinc/91/57/10/1083915710.db2.gz RUABYFQTCVIJLG-SECBINFHSA-N 0 0 321.373 3.450 20 10 DGCDRN O=C(Cc1c[nH]c2ccc(F)cc12)N1CCc2cccc(O)c2C1 ZINC001183357982 1083925794 /nfs/dbraw/zinc/92/57/94/1083925794.db2.gz RPVFHFQZYMWYAE-UHFFFAOYSA-N 0 0 324.355 3.140 20 10 DGCDRN Oc1cccc2c1CN(Cc1cccc3c1OC(F)(F)O3)C2 ZINC001183454803 1083951611 /nfs/dbraw/zinc/95/16/11/1083951611.db2.gz OGNYTOXKSIRXEN-UHFFFAOYSA-N 0 0 305.280 3.230 20 10 DGCDRN CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2c([O-])cccc2F)C1 ZINC001183919738 1084066773 /nfs/dbraw/zinc/06/67/73/1084066773.db2.gz OMEOUCNZVJYCRB-LBPRGKRZSA-N 0 0 324.396 3.020 20 10 DGCDRN COC(=O)c1cc(C)cc(NCc2c(C)cc(OC)cc2O)c1 ZINC001184066969 1084090536 /nfs/dbraw/zinc/09/05/36/1084090536.db2.gz PHVCIUHMJIEQJT-UHFFFAOYSA-N 0 0 315.369 3.416 20 10 DGCDRN Cc1nccc(C(F)(F)F)c1C(=O)NCc1ccccc1O ZINC001185054504 1084323347 /nfs/dbraw/zinc/32/33/47/1084323347.db2.gz NVJKMIYTOTWNEW-UHFFFAOYSA-N 0 0 310.275 3.044 20 10 DGCDRN CCN(Cc1ccccc1O)C(=O)NCc1ccc(F)cc1 ZINC001185463582 1084448816 /nfs/dbraw/zinc/44/88/16/1084448816.db2.gz KQBAKKAVJUUVNR-UHFFFAOYSA-N 0 0 302.349 3.263 20 10 DGCDRN CSc1ccccc1NC(=O)NCc1cccc(O)c1O ZINC001186763640 1084697120 /nfs/dbraw/zinc/69/71/20/1084697120.db2.gz PLOTZEPXWMYLGP-UHFFFAOYSA-N 0 0 304.371 3.141 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(O)c(C(=O)N2CC(C(F)F)C2)c1 ZINC001186848022 1084707615 /nfs/dbraw/zinc/70/76/15/1084707615.db2.gz CBIUEZNPOYEFOP-UHFFFAOYSA-N 0 0 320.339 3.137 20 10 DGCDRN COc1cc(N2Cc3cccc(O)c3C2)c(Cl)cc1[N+](=O)[O-] ZINC001187403264 1084797053 /nfs/dbraw/zinc/79/70/53/1084797053.db2.gz ASNYZPPKQYIBFC-UHFFFAOYSA-N 0 0 320.732 3.483 20 10 DGCDRN O=[N+]([O-])c1cnc(N2Cc3cccc(O)c3C2)c2ccccc21 ZINC001187403899 1084797115 /nfs/dbraw/zinc/79/71/15/1084797115.db2.gz DZQNAXLKQGUVON-UHFFFAOYSA-N 0 0 307.309 3.369 20 10 DGCDRN CC(C)(O)C=CNc1cccc2c1C(=O)c1ccccc1C2=O ZINC001203217148 1086030901 /nfs/dbraw/zinc/03/09/01/1086030901.db2.gz HFOJJNQMNASIFS-ZHACJKMWSA-N 0 0 307.349 3.159 20 10 DGCDRN Cc1cc2ncccc2cc1NCCc1cc(O)c(O)cc1O ZINC001168013037 1086248683 /nfs/dbraw/zinc/24/86/83/1086248683.db2.gz ARJDLJCYRBZXAK-UHFFFAOYSA-N 0 0 310.353 3.315 20 10 DGCDRN CN(C)c1ccc(CNC(=O)/C=C/C=C(Cl)Cl)cc1F ZINC001625951469 1086848843 /nfs/dbraw/zinc/84/88/43/1086848843.db2.gz BXRDCCXLEFHURU-HWKANZROSA-N 0 0 317.191 3.383 20 10 DGCDRN COc1ccc2c(c1)CCCCN2Cc1ccnc(N(C)C)c1 ZINC001168243477 1087069417 /nfs/dbraw/zinc/06/94/17/1087069417.db2.gz FNQFZMXQVUMZSY-UHFFFAOYSA-N 0 0 311.429 3.499 20 10 DGCDRN Oc1cc(F)c(F)cc1CN1CCOC[C@@H]1c1ccccc1 ZINC001142509125 1087274968 /nfs/dbraw/zinc/27/49/68/1087274968.db2.gz XRJHWLPYCWHNSY-MRXNPFEDSA-N 0 0 305.324 3.244 20 10 DGCDRN C[C@@H](C(=O)NCc1ccc(O)cc1O)c1ccc(Cl)s1 ZINC001142533117 1087278789 /nfs/dbraw/zinc/27/87/89/1087278789.db2.gz DGOQQVQHNOHWQW-MRVPVSSYSA-N 0 0 311.790 3.233 20 10 DGCDRN Cn1cnc(/C=C/C(=O)N2CC(C)(C)Sc3ccccc32)c1 ZINC001126984368 1087431371 /nfs/dbraw/zinc/43/13/71/1087431371.db2.gz ZDKZAFCCSXOMFB-CMDGGOBGSA-N 0 0 313.426 3.351 20 10 DGCDRN CN(C)c1ccc(CN2CC(F)(F)C[C@@]2(C)CF)c(O)c1 ZINC001232835980 1087627126 /nfs/dbraw/zinc/62/71/26/1087627126.db2.gz JKRLVYOLCDFSST-AWEZNQCLSA-N 0 0 302.340 3.027 20 10 DGCDRN C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1O ZINC001151892050 1087813153 /nfs/dbraw/zinc/81/31/53/1087813153.db2.gz GLHHQAMZQZZGQI-VIFPVBQESA-N 0 0 320.732 3.445 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2cc3sccc3[nH]2)c(O)c1 ZINC001152274598 1087935726 /nfs/dbraw/zinc/93/57/26/1087935726.db2.gz MEBKXJQPKUXNPK-UHFFFAOYSA-N 0 0 300.383 3.482 20 10 DGCDRN Oc1ccc(CNc2cc(Cl)nc3ncccc23)cc1O ZINC001158995738 1088125037 /nfs/dbraw/zinc/12/50/37/1088125037.db2.gz NDFLRVRRPXCBNM-UHFFFAOYSA-N 0 0 301.733 3.307 20 10 DGCDRN Cc1nc(-c2ccccn2)nc(NCc2ccc(O)c(O)c2)c1C ZINC001158997668 1088125242 /nfs/dbraw/zinc/12/52/42/1088125242.db2.gz NHADDEAUWRNIHF-UHFFFAOYSA-N 0 0 322.368 3.179 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc2cc[nH]cc1-2 ZINC001152977672 1088125329 /nfs/dbraw/zinc/12/53/29/1088125329.db2.gz VFORFVULPLYTET-UHFFFAOYSA-N 0 0 322.412 3.291 20 10 DGCDRN COC(=O)c1ccc2cc(NCc3ccc(O)c(O)c3)ncc2c1 ZINC001158997405 1088126590 /nfs/dbraw/zinc/12/65/90/1088126590.db2.gz GXSMIKBFGFIJTR-UHFFFAOYSA-N 0 0 324.336 3.045 20 10 DGCDRN CCOC(=O)c1cc(Nc2ccc(N)cc2)cc([N+](=O)[O-])c1 ZINC001159484912 1088368924 /nfs/dbraw/zinc/36/89/24/1088368924.db2.gz GGPIFCCCQXHLMU-UHFFFAOYSA-N 0 0 301.302 3.097 20 10 DGCDRN Oc1ccc(Br)cc1CNc1cc(Cl)ncn1 ZINC001160012441 1088600702 /nfs/dbraw/zinc/60/07/02/1088600702.db2.gz LOHGIXVFGMEOMY-UHFFFAOYSA-N 0 0 314.570 3.210 20 10 DGCDRN COc1ccc2cc(O)c(C(=O)NCc3ccccc3O)cc2c1 ZINC001154755168 1088745566 /nfs/dbraw/zinc/74/55/66/1088745566.db2.gz YHCVCRXXGZHSGN-UHFFFAOYSA-N 0 0 323.348 3.190 20 10 DGCDRN CCN(Cc1ccccc1O)c1ccc(N2CCCCC2)nn1 ZINC001154881578 1088807295 /nfs/dbraw/zinc/80/72/95/1088807295.db2.gz KRLYWNPQAQUWCK-UHFFFAOYSA-N 0 0 312.417 3.199 20 10 DGCDRN CCN(Cc1ccccc1O)c1nc2ncccc2nc1Cl ZINC001154888706 1088811857 /nfs/dbraw/zinc/81/18/57/1088811857.db2.gz ISHKMGTWTDVEKR-UHFFFAOYSA-N 0 0 314.776 3.410 20 10 DGCDRN CCN(Cc1ccccc1O)c1ncnc2cccc(OC)c21 ZINC001154890537 1088813039 /nfs/dbraw/zinc/81/30/39/1088813039.db2.gz AYNDMJRLVVVZEP-UHFFFAOYSA-N 0 0 309.369 3.371 20 10 DGCDRN CCN(Cc1ccccc1O)c1nc(C)cc(OC)c1[N+](=O)[O-] ZINC001154889888 1088813605 /nfs/dbraw/zinc/81/36/05/1088813605.db2.gz KGNDPWYIKGPWGI-UHFFFAOYSA-N 0 0 317.345 3.039 20 10 DGCDRN COc1cc2c(cc1F)ncnc2NCc1cccc(C)c1O ZINC001160770173 1088949953 /nfs/dbraw/zinc/94/99/53/1088949953.db2.gz SNNYHQQEOAINQD-UHFFFAOYSA-N 0 0 313.332 3.404 20 10 DGCDRN Cc1cccc(CNc2cc(N3CCC[C@H](C)C3)ncn2)c1O ZINC001160771433 1088950546 /nfs/dbraw/zinc/95/05/46/1088950546.db2.gz VDXZRYMRHYAZNU-ZDUSSCGKSA-N 0 0 312.417 3.339 20 10 DGCDRN CN(C(=O)Cc1ccc(N)cc1)[C@@H](C1CCC1)C(F)(F)F ZINC001160773023 1088952619 /nfs/dbraw/zinc/95/26/19/1088952619.db2.gz CESDWNUXKSFOKV-AWEZNQCLSA-N 0 0 300.324 3.001 20 10 DGCDRN COC(=O)c1cnc(NCc2c(C)cc(C)cc2O)c(Cl)c1 ZINC001160808105 1088970645 /nfs/dbraw/zinc/97/06/45/1088970645.db2.gz KEXBKWMNNPDDEU-UHFFFAOYSA-N 0 0 320.776 3.456 20 10 DGCDRN CCOC(=O)c1ccc(NCc2c(C)cc(C)cc2O)nc1 ZINC001160808625 1088973644 /nfs/dbraw/zinc/97/36/44/1088973644.db2.gz VSCCYFHHQSVRRW-UHFFFAOYSA-N 0 0 300.358 3.193 20 10 DGCDRN COc1cnc(SC)nc1NCc1c(C)cc(C)cc1O ZINC001160808643 1088974031 /nfs/dbraw/zinc/97/40/31/1088974031.db2.gz WLHNJFYJRUEOHU-UHFFFAOYSA-N 0 0 305.403 3.142 20 10 DGCDRN Cc1c[nH]c2nc(N3CCCc4cc(O)c(O)cc4C3)ccc12 ZINC001155941134 1089306459 /nfs/dbraw/zinc/30/64/59/1089306459.db2.gz HHLJCMYHVJQNJN-UHFFFAOYSA-N 0 0 309.369 3.235 20 10 DGCDRN CCCCc1cc(N2CCCc3cc(O)c(O)cc3C2)ncn1 ZINC001155948368 1089309206 /nfs/dbraw/zinc/30/92/06/1089309206.db2.gz OZGVNTQBBXDWTQ-UHFFFAOYSA-N 0 0 313.401 3.183 20 10 DGCDRN O=C(C[C@@H]1C[C@H]1Cc1ccccc1)NCc1c(O)cccc1F ZINC001156177636 1089420560 /nfs/dbraw/zinc/42/05/60/1089420560.db2.gz LUNPLKRHWPKQHS-CABCVRRESA-N 0 0 313.372 3.416 20 10 DGCDRN Cc1cc(C(=O)N[C@H]2COC[C@@H]2C)c(C)n1-c1cccc(C)c1 ZINC001156327075 1089478467 /nfs/dbraw/zinc/47/84/67/1089478467.db2.gz VDUZNLPGZNLUEN-UGSOOPFHSA-N 0 0 312.413 3.167 20 10 DGCDRN CC(C)(C)CC(=O)NCCC1=CCN(c2cccc(F)n2)CC1 ZINC001089804728 1089528652 /nfs/dbraw/zinc/52/86/52/1089528652.db2.gz SASQHVLFQDQDLG-UHFFFAOYSA-N 0 0 319.424 3.300 20 10 DGCDRN C[C@@H](Sc1ccc(F)cc1)C(=O)NCc1c(O)cccc1O ZINC001156886284 1089731125 /nfs/dbraw/zinc/73/11/25/1089731125.db2.gz XMORDAUCHFIXNO-SNVBAGLBSA-N 0 0 321.373 3.034 20 10 DGCDRN CCSCc1ccccc1C(=O)NCc1c(O)cccc1O ZINC001156886348 1089731656 /nfs/dbraw/zinc/73/16/56/1089731656.db2.gz ZNODSSPEXDCWDN-UHFFFAOYSA-N 0 0 317.410 3.281 20 10 DGCDRN CCOc1nc(Cl)cc(N(C)Cc2ccc(N(C)C)cc2)n1 ZINC001156924041 1089746009 /nfs/dbraw/zinc/74/60/09/1089746009.db2.gz MHVNMFQMBRWSBA-UHFFFAOYSA-N 0 0 320.824 3.231 20 10 DGCDRN Cc1nc(C)c(N(C)Cc2ccc(N(C)C)cc2)c(Cl)n1 ZINC001156923817 1089746416 /nfs/dbraw/zinc/74/64/16/1089746416.db2.gz HFNXPSKKMUHDHF-UHFFFAOYSA-N 0 0 304.825 3.449 20 10 DGCDRN COc1cccc2c1ncnc2N(C)Cc1ccc(N(C)C)cc1 ZINC001156924216 1089746498 /nfs/dbraw/zinc/74/64/98/1089746498.db2.gz RRNPHYWTKLLADV-UHFFFAOYSA-N 0 0 322.412 3.341 20 10 DGCDRN C[C@H]1C[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])CCC[C@@H]1O ZINC001236794976 1089878164 /nfs/dbraw/zinc/87/81/64/1089878164.db2.gz YPIWLPXCKKNTPU-ZANVPECISA-N 0 0 304.217 3.292 20 10 DGCDRN COc1ccccc1-c1ccc(NCc2ccc(N)cc2)nn1 ZINC001162787068 1089956337 /nfs/dbraw/zinc/95/63/37/1089956337.db2.gz FYYAIUBBPWEZGB-UHFFFAOYSA-N 0 0 306.369 3.347 20 10 DGCDRN CC1CCN(C(=O)c2ccc(NCc3ccc(N)cc3)nc2)CC1 ZINC001162787422 1089956715 /nfs/dbraw/zinc/95/67/15/1089956715.db2.gz KKMZNNAICNZPLB-UHFFFAOYSA-N 0 0 324.428 3.148 20 10 DGCDRN CC(C)[C@H](C)C(=O)NCCC1=CCN(c2cccc(F)n2)CC1 ZINC001089844435 1090102593 /nfs/dbraw/zinc/10/25/93/1090102593.db2.gz BXNPUMKVJBZZIA-AWEZNQCLSA-N 0 0 319.424 3.156 20 10 DGCDRN Oc1c(CNc2cnc3ccccc3n2)ccc2cccnc21 ZINC001163537785 1090205981 /nfs/dbraw/zinc/20/59/81/1090205981.db2.gz DYKGYPKXPADDNW-UHFFFAOYSA-N 0 0 302.337 3.496 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)C2=CCCCCC2)cc1 ZINC001164597475 1090445302 /nfs/dbraw/zinc/44/53/02/1090445302.db2.gz OMGNCCKCCBVYQJ-UHFFFAOYSA-N 0 0 316.445 3.480 20 10 DGCDRN C[C@H](Oc1ccc(F)cc1)C(=O)NCc1cc(Cl)ccc1O ZINC001165497867 1090525615 /nfs/dbraw/zinc/52/56/15/1090525615.db2.gz IVSMVLRWKHGDJQ-JTQLQIEISA-N 0 0 323.751 3.268 20 10 DGCDRN Fc1c(-c2noc(-c3csnn3)n2)cccc1C(F)(F)F ZINC001212361955 1090574743 /nfs/dbraw/zinc/57/47/43/1090574743.db2.gz IXEXWLGAENSGRG-UHFFFAOYSA-N 0 0 316.239 3.413 20 10 DGCDRN Fc1cc(C(F)(F)F)ccc1-c1noc(-c2csnn2)n1 ZINC001212362179 1090575152 /nfs/dbraw/zinc/57/51/52/1090575152.db2.gz PTDMLKQARHZKPD-UHFFFAOYSA-N 0 0 316.239 3.413 20 10 DGCDRN Fc1cccc(-c2noc(-c3csnn3)n2)c1C(F)(F)F ZINC001212361977 1090575277 /nfs/dbraw/zinc/57/52/77/1090575277.db2.gz JHEOIZNMZNFQBK-UHFFFAOYSA-N 0 0 316.239 3.413 20 10 DGCDRN O=C(NCc1cc(Cl)cc(Cl)c1)c1cccc(O)c1O ZINC001166479305 1090609964 /nfs/dbraw/zinc/60/99/64/1090609964.db2.gz ZNVYELBYTYWWAI-UHFFFAOYSA-N 0 0 312.152 3.335 20 10 DGCDRN O=C(CSc1nc2cnccc2s1)c1ccc(O)c(O)c1 ZINC001166518090 1090613173 /nfs/dbraw/zinc/61/31/73/1090613173.db2.gz VMYNZCQDIWOCFL-UHFFFAOYSA-N 0 0 318.379 3.078 20 10 DGCDRN Cc1snnc1-c1nc(-c2ccc3scnc3c2)no1 ZINC001212405273 1090626392 /nfs/dbraw/zinc/62/63/92/1090626392.db2.gz LEZKEWBHCZFCPM-UHFFFAOYSA-N 0 0 301.356 3.173 20 10 DGCDRN Cc1snnc1-c1nc(-c2ccc(F)c(Cl)c2F)no1 ZINC001212405560 1090627293 /nfs/dbraw/zinc/62/72/93/1090627293.db2.gz WDLLIYQIBKGXGB-UHFFFAOYSA-N 0 0 314.704 3.495 20 10 DGCDRN COc1ccc(CN2CCc3ncc(Cl)cc3C2)c(O)c1 ZINC001203634520 1090770415 /nfs/dbraw/zinc/77/04/15/1090770415.db2.gz JZLDDNVPIWGEPD-UHFFFAOYSA-N 0 0 304.777 3.008 20 10 DGCDRN C[C@]1(F)CCN(Cc2cc(Br)ccc2O)C[C@H]1F ZINC001203636605 1090771006 /nfs/dbraw/zinc/77/10/06/1090771006.db2.gz YFYPSVCFFSSSLG-OLZOCXBDSA-N 0 0 320.177 3.427 20 10 DGCDRN CCCOc1ccc(N(CCO)c2ccc(N)cc2)c(F)c1F ZINC001203695191 1090782598 /nfs/dbraw/zinc/78/25/98/1090782598.db2.gz GMSSSJYRVPUWMN-UHFFFAOYSA-N 0 0 322.355 3.466 20 10 DGCDRN Cc1ccn2cnc(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)c2c1 ZINC001128241580 1090921590 /nfs/dbraw/zinc/92/15/90/1090921590.db2.gz JLIKFTXPOZDGLO-CQSZACIVSA-N 0 0 322.412 3.200 20 10 DGCDRN CC(C)(C)c1cccc(CN2CC(Oc3cccnc3)C2)c1O ZINC001143110544 1090937356 /nfs/dbraw/zinc/93/73/56/1090937356.db2.gz IQWQRVFOYSIOMF-UHFFFAOYSA-N 0 0 312.413 3.348 20 10 DGCDRN CCOC(=O)[C@@H]1CCCCN1Cc1ccc(N2CCCC2)cc1 ZINC001204323020 1090949142 /nfs/dbraw/zinc/94/91/42/1090949142.db2.gz ZBRXLLMZJQBHIH-SFHVURJKSA-N 0 0 316.445 3.204 20 10 DGCDRN c1ccc([C@H]2CN(Cc3ccc(N4CCCC4)cc3)CCO2)nc1 ZINC001204322578 1090949543 /nfs/dbraw/zinc/94/95/43/1090949543.db2.gz SMYWXZDCFACFMN-HXUWFJFHSA-N 0 0 323.440 3.255 20 10 DGCDRN C[N@H+](Cc1cc(F)c(F)cc1[O-])[C@@H](CCO)c1ccccc1 ZINC001204333310 1090950393 /nfs/dbraw/zinc/95/03/93/1090950393.db2.gz BJTFVGZPFZLOSR-INIZCTEOSA-N 0 0 307.340 3.226 20 10 DGCDRN C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001204328311 1090950958 /nfs/dbraw/zinc/95/09/58/1090950958.db2.gz GVUZTZZHIMRIJK-HNNXBMFYSA-N 0 0 318.461 3.449 20 10 DGCDRN COc1cc(CN2CC=C(c3ccccc3)CC2)cc(O)c1O ZINC001204346032 1090953048 /nfs/dbraw/zinc/95/30/48/1090953048.db2.gz JYSFMAPRQMYRJR-UHFFFAOYSA-N 0 0 311.381 3.396 20 10 DGCDRN COc1cc(CN2Cc3cccc(Cl)c3C2)cc(O)c1O ZINC001204346543 1090953162 /nfs/dbraw/zinc/95/31/62/1090953162.db2.gz UPWPTTYJHQTCGA-UHFFFAOYSA-N 0 0 305.761 3.276 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CCC[C@H](CF)C1 ZINC000715806055 1091009159 /nfs/dbraw/zinc/00/91/59/1091009159.db2.gz PHWWRFQAFLOSQS-SECBINFHSA-N 0 0 320.177 3.475 20 10 DGCDRN COc1ccc(C(=O)Nc2c3nonc3ccc2Cl)cc1 ZINC001117548408 1091017584 /nfs/dbraw/zinc/01/75/84/1091017584.db2.gz RFWGKKUEELMVSX-UHFFFAOYSA-N 0 0 303.705 3.137 20 10 DGCDRN CCc1cccc(C(=O)Nc2c3nonc3ccc2Cl)n1 ZINC001128607526 1091071311 /nfs/dbraw/zinc/07/13/11/1091071311.db2.gz ULBOSNJZSQNWOF-UHFFFAOYSA-N 0 0 302.721 3.086 20 10 DGCDRN Cc1c(CN2CC(N3CCC(F)(F)C3)C2)c2ccccc2n1C ZINC001138258137 1091126745 /nfs/dbraw/zinc/12/67/45/1091126745.db2.gz MTNNDKDXUFLBBE-UHFFFAOYSA-N 0 0 319.399 3.012 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c(OC)c1 ZINC001138386033 1091161416 /nfs/dbraw/zinc/16/14/16/1091161416.db2.gz FOMBMNUIMGFNCL-SJORKVTESA-N 0 0 318.461 3.010 20 10 DGCDRN CCN(CC)c1ccc(CN2CCOC[C@H]2C(C)C)c(OC)c1 ZINC001138389234 1091163001 /nfs/dbraw/zinc/16/30/01/1091163001.db2.gz GVFNKLSJVYAHDE-SFHVURJKSA-N 0 0 320.477 3.398 20 10 DGCDRN COC(=O)[C@H]1CCCCCN1C/C=C/c1ccc(N(C)C)cc1 ZINC001205346980 1091195011 /nfs/dbraw/zinc/19/50/11/1091195011.db2.gz INGLEUBEVIADAS-LKGOPFMKSA-N 0 0 316.445 3.183 20 10 DGCDRN Nc1ccc(CNC(F)(F)c2cc(Cl)nc(Cl)n2)cc1 ZINC001162783806 1091217436 /nfs/dbraw/zinc/21/74/36/1091217436.db2.gz ACPWZDYFGVKHHJ-UHFFFAOYSA-N 0 0 319.142 3.205 20 10 DGCDRN Oc1cccc(F)c1CN1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001137839756 1091220060 /nfs/dbraw/zinc/22/00/60/1091220060.db2.gz IKKARRXBEVMYKF-ZDUSSCGKSA-N 0 0 315.270 3.388 20 10 DGCDRN CCOC(=O)[C@H](NCc1cc(F)c(F)cc1O)c1ccccc1 ZINC001205450473 1091225575 /nfs/dbraw/zinc/22/55/75/1091225575.db2.gz JOKLSYJMSSOQQA-MRXNPFEDSA-N 0 0 321.323 3.064 20 10 DGCDRN C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)c2ccccc2O1 ZINC001293577647 1091259438 /nfs/dbraw/zinc/25/94/38/1091259438.db2.gz NTQQJVPINIJOLD-LLVKDONJSA-N 0 0 324.340 3.277 20 10 DGCDRN CCO[C@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001294375956 1091383538 /nfs/dbraw/zinc/38/35/38/1091383538.db2.gz ILORPHSGRJQISP-CQSZACIVSA-N 0 0 320.393 3.030 20 10 DGCDRN C[C@H]1[C@@H](C[NH3+])CCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC001205902236 1091399420 /nfs/dbraw/zinc/39/94/20/1091399420.db2.gz JCTYLNGZWTUOPD-VHSXEESVSA-N 0 0 303.233 3.258 20 10 DGCDRN C[C@@H]1[C@@H](C[NH3+])CCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC001205902234 1091399868 /nfs/dbraw/zinc/39/98/68/1091399868.db2.gz JCTYLNGZWTUOPD-NXEZZACHSA-N 0 0 303.233 3.258 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCC[C@H](C)[C@H]1C ZINC001139129130 1091459798 /nfs/dbraw/zinc/45/97/98/1091459798.db2.gz NTMWDGTZGQYQKB-WCQYABFASA-N 0 0 301.386 3.427 20 10 DGCDRN Cn1ccc(Nc2ccccc2C(=O)c2ccc(F)cc2)cc1=O ZINC001206098565 1091490972 /nfs/dbraw/zinc/49/09/72/1091490972.db2.gz UQGWQUHBZHYOCP-UHFFFAOYSA-N 0 0 322.339 3.499 20 10 DGCDRN Cn1ccc(Nc2ccccc2Cc2ccc(N)cc2)cc1=O ZINC001206123738 1091502584 /nfs/dbraw/zinc/50/25/84/1091502584.db2.gz YKAYYDWDFYKAGD-UHFFFAOYSA-N 0 0 305.381 3.302 20 10 DGCDRN CC[C@H](C)C[C@@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)OC ZINC001206440444 1091632024 /nfs/dbraw/zinc/63/20/24/1091632024.db2.gz OREUFCKYERVTHE-BUSQMGNYSA-N 0 0 318.461 3.333 20 10 DGCDRN CN1CC[N@H+](Cc2c(F)ccc(F)c2[O-])C[C@H]1c1ccccc1 ZINC001139685397 1091641432 /nfs/dbraw/zinc/64/14/32/1091641432.db2.gz XZUQUFPLCUOEFZ-KRWDZBQOSA-N 0 0 318.367 3.159 20 10 DGCDRN Oc1cccc(Br)c1CN1CCc2cnccc2C1 ZINC001140098930 1091767173 /nfs/dbraw/zinc/76/71/73/1091767173.db2.gz UESAKMBTDYAYHP-UHFFFAOYSA-N 0 0 319.202 3.108 20 10 DGCDRN Cc1cnccc1O[C@@H]1CC[N@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140586032 1091921569 /nfs/dbraw/zinc/92/15/69/1091921569.db2.gz ZTQBOZNOKNUYMY-CYBMUJFWSA-N 0 0 320.339 3.027 20 10 DGCDRN Fc1cc(N2CCOCC2)ccc1CN1Cc2ccccc2C1 ZINC001140662298 1091950105 /nfs/dbraw/zinc/95/01/05/1091950105.db2.gz NDEVUBSLCOPIHP-UHFFFAOYSA-N 0 0 312.388 3.178 20 10 DGCDRN CCN(CC)c1ccc(CN2Cc3cnc(C)cc3C2)c(O)c1 ZINC001140855492 1092031293 /nfs/dbraw/zinc/03/12/93/1092031293.db2.gz BJSIIRVBMBLLBW-UHFFFAOYSA-N 0 0 311.429 3.458 20 10 DGCDRN CCN(CC)c1ccc(CN2CCc3oc(C)nc3C2)c(O)c1 ZINC001140855981 1092031791 /nfs/dbraw/zinc/03/17/91/1092031791.db2.gz FXJWQIYMXYVYHW-UHFFFAOYSA-N 0 0 315.417 3.093 20 10 DGCDRN [O-]c1cccc(F)c1C[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC001207621804 1092046964 /nfs/dbraw/zinc/04/69/64/1092046964.db2.gz JYQLQPZUPXSXJH-UHFFFAOYSA-N 0 0 311.259 3.143 20 10 DGCDRN CCOC(=O)[C@H]1CCCCN1Cc1ccc(N(C)C)cc1Cl ZINC001140925137 1092065339 /nfs/dbraw/zinc/06/53/39/1092065339.db2.gz ONDXRSURQCEQGG-MRXNPFEDSA-N 0 0 324.852 3.324 20 10 DGCDRN O=C(NC[C@@H]1CCC[C@H]1c1ccccc1)c1cccc(O)c1O ZINC001298514748 1092067177 /nfs/dbraw/zinc/06/71/77/1092067177.db2.gz ZIURPFJMXNWWDH-GJZGRUSLSA-N 0 0 311.381 3.412 20 10 DGCDRN Oc1ccc(O)c(CN2CCOC[C@H]2c2ccccc2Cl)c1 ZINC001141162350 1092157758 /nfs/dbraw/zinc/15/77/58/1092157758.db2.gz QJRQNZFPVZZNIH-INIZCTEOSA-N 0 0 319.788 3.325 20 10 DGCDRN Oc1ccc(O)c(CN2CCOC[C@H]2c2ccc(Cl)cc2)c1 ZINC001141162105 1092158130 /nfs/dbraw/zinc/15/81/30/1092158130.db2.gz LKLUZYXBNBAAHI-INIZCTEOSA-N 0 0 319.788 3.325 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)O[C@H](C)COC)cc1 ZINC001208253501 1092292047 /nfs/dbraw/zinc/29/20/47/1092292047.db2.gz CSFZVPNZKAOGIG-CQSZACIVSA-N 0 0 308.422 3.136 20 10 DGCDRN Cc1ccc(CNC(=O)c2cccc(O)c2O)c2ccccc12 ZINC001142290030 1092459501 /nfs/dbraw/zinc/45/95/01/1092459501.db2.gz SMIYIXCSMZPJSF-UHFFFAOYSA-N 0 0 307.349 3.489 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001142530960 1092496117 /nfs/dbraw/zinc/49/61/17/1092496117.db2.gz MTBITJQVCPPXQQ-AWEZNQCLSA-N 0 0 320.339 3.109 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001142531338 1092497679 /nfs/dbraw/zinc/49/76/79/1092497679.db2.gz VFDZUZBTYRQRMB-CQSZACIVSA-N 0 0 323.314 3.463 20 10 DGCDRN CN(CC(=O)OC(C)(C)C)Cc1cccc(C(C)(C)C)c1O ZINC001143104070 1092615398 /nfs/dbraw/zinc/61/53/98/1092615398.db2.gz BDJNCPLMAGNODY-UHFFFAOYSA-N 0 0 307.434 3.463 20 10 DGCDRN CC(C)(C)c1cccc(CN(CCO)CC(F)(F)F)c1O ZINC001143112463 1092616892 /nfs/dbraw/zinc/61/68/92/1092616892.db2.gz ROSYTCMOAVDNIP-UHFFFAOYSA-N 0 0 305.340 3.046 20 10 DGCDRN Cc1cc(CCNC(=O)c2[nH]cnc2C)c(C)n1-c1ccccc1 ZINC001150450187 1092781694 /nfs/dbraw/zinc/78/16/94/1092781694.db2.gz UQCDGJFXFDYOCM-UHFFFAOYSA-N 0 0 322.412 3.098 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)CCC1CCCC1 ZINC001209529802 1092812104 /nfs/dbraw/zinc/81/21/04/1092812104.db2.gz WRDBPCZLIFLIEP-UHFFFAOYSA-N 0 0 324.490 3.061 20 10 DGCDRN c1cc(N2CCOCC2)ccc1Nc1ccc2c(c1)OCCN2 ZINC001209726824 1092892287 /nfs/dbraw/zinc/89/22/87/1092892287.db2.gz CZXDDVJEZLQALE-UHFFFAOYSA-N 0 0 311.385 3.071 20 10 DGCDRN COC(=O)c1ccc(OC)c(Nc2ccc3c(c2)OCCN3)c1 ZINC001209727404 1092895821 /nfs/dbraw/zinc/89/58/21/1092895821.db2.gz GTPYXZURTJPWFU-UHFFFAOYSA-N 0 0 314.341 3.030 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccn2ccnc12 ZINC001151475516 1092904504 /nfs/dbraw/zinc/90/45/04/1092904504.db2.gz DITQOBVQOAEKJZ-UHFFFAOYSA-N 0 0 322.412 3.063 20 10 DGCDRN COc1ccc(NC(C)=O)cc1Nc1ccc2c(c1)OCCN2 ZINC001209765840 1092909298 /nfs/dbraw/zinc/90/92/98/1092909298.db2.gz BFWWDGYADFJSHA-UHFFFAOYSA-N 0 0 313.357 3.202 20 10 DGCDRN CCN1Cc2cc(Nc3ccc4c(c3)OCCN4)ccc2C1=O ZINC001209767118 1092911176 /nfs/dbraw/zinc/91/11/76/1092911176.db2.gz KAFFXOSGYAPHKN-UHFFFAOYSA-N 0 0 309.369 3.210 20 10 DGCDRN c1cc(Nc2ccc3c(c2)OCCN3)cc(N2CCOCC2)c1 ZINC001209766258 1092911384 /nfs/dbraw/zinc/91/13/84/1092911384.db2.gz LERXRNXNDCYKKG-UHFFFAOYSA-N 0 0 311.385 3.071 20 10 DGCDRN COC(=O)c1ccc(F)c(Nc2ccc3c(c2)OCCN3)c1 ZINC001209766740 1092912123 /nfs/dbraw/zinc/91/21/23/1092912123.db2.gz FCHSYUWGCYFFGN-UHFFFAOYSA-N 0 0 302.305 3.160 20 10 DGCDRN Nc1cncc(Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 ZINC001210439437 1093166397 /nfs/dbraw/zinc/16/63/97/1093166397.db2.gz SDAWTGLGVMZZGF-UHFFFAOYSA-N 0 0 315.332 3.183 20 10 DGCDRN Nc1ccc(N(CCO)c2cc(O)cc(C(F)(F)F)c2)cc1 ZINC001210825780 1093294425 /nfs/dbraw/zinc/29/44/25/1093294425.db2.gz QNMDZTKLYCBRIX-UHFFFAOYSA-N 0 0 312.291 3.124 20 10 DGCDRN O=C1c2ccccc2C(=O)c2cc(Nc3nccs3)c(O)cc21 ZINC001210992877 1093346435 /nfs/dbraw/zinc/34/64/35/1093346435.db2.gz FKYSCQHJVCZJSM-UHFFFAOYSA-N 0 0 322.345 3.368 20 10 DGCDRN O=C(c1ccccn1)c1cc(Cl)ccc1Nc1ccncn1 ZINC001211030885 1093356604 /nfs/dbraw/zinc/35/66/04/1093356604.db2.gz VABPYDHPKMIIBI-UHFFFAOYSA-N 0 0 310.744 3.500 20 10 DGCDRN O=C(Nc1ccc(F)c(F)c1F)N1Cc2cccc(O)c2C1 ZINC001214157145 1093723834 /nfs/dbraw/zinc/72/38/34/1093723834.db2.gz YJVDXQOMRUXTNG-UHFFFAOYSA-N 0 0 308.259 3.357 20 10 DGCDRN CCOc1cc(N(c2ccc(N)cc2)S(C)(=O)=O)ccc1C ZINC001214328350 1093755608 /nfs/dbraw/zinc/75/56/08/1093755608.db2.gz ZOBDDCLIMFLNIW-UHFFFAOYSA-N 0 0 320.414 3.074 20 10 DGCDRN Oc1ccc(OC(F)(F)F)cc1Nc1ccnc2cccnc21 ZINC001214378566 1093763598 /nfs/dbraw/zinc/76/35/98/1093763598.db2.gz XSRLDANWMXLBHP-UHFFFAOYSA-N 0 0 321.258 3.400 20 10 DGCDRN Cc1c2cccc(-c3noc(-c4cccc(O)c4O)n3)c2nn1C ZINC001215145711 1093927105 /nfs/dbraw/zinc/92/71/05/1093927105.db2.gz DTHCPIXCWYZATF-UHFFFAOYSA-N 0 0 322.324 3.010 20 10 DGCDRN Oc1cccc(-c2nc(-c3ccc4ncsc4c3)no2)c1O ZINC001215145847 1093927111 /nfs/dbraw/zinc/92/71/11/1093927111.db2.gz MTUZVVOIYXGALV-UHFFFAOYSA-N 0 0 311.322 3.425 20 10 DGCDRN Cc1ncc(Cl)cc1-c1noc(-c2ccc(O)c(O)c2)n1 ZINC001215303998 1093954779 /nfs/dbraw/zinc/95/47/79/1093954779.db2.gz AXAKEJNMCYWNBY-UHFFFAOYSA-N 0 0 303.705 3.172 20 10 DGCDRN Cc1ccc(Cl)c(-c2noc(-c3ccc(O)c(O)c3O)n2)c1 ZINC001215325428 1093960266 /nfs/dbraw/zinc/96/02/66/1093960266.db2.gz SBBYGQNCIGKFFH-UHFFFAOYSA-N 0 0 318.716 3.482 20 10 DGCDRN Cc1cc(-c2noc(-c3ccc(O)c(O)c3O)n2)ccc1Cl ZINC001215325456 1093960540 /nfs/dbraw/zinc/96/05/40/1093960540.db2.gz UOVQDMRJWHPKTO-UHFFFAOYSA-N 0 0 318.716 3.482 20 10 DGCDRN Oc1ccc(-c2nc(-c3cccc4occc43)no2)c(O)c1O ZINC001215325408 1093960689 /nfs/dbraw/zinc/96/06/89/1093960689.db2.gz RDCUJYNOIXKFOG-UHFFFAOYSA-N 0 0 310.265 3.267 20 10 DGCDRN Oc1ccc(-c2nc(-c3ccccc3Cl)no2)c(O)c1O ZINC001215325155 1093961009 /nfs/dbraw/zinc/96/10/09/1093961009.db2.gz DTAFTLGKBMZHNM-UHFFFAOYSA-N 0 0 304.689 3.174 20 10 DGCDRN Oc1cc(-c2nc(-c3cc(F)cc(Cl)c3)no2)cc(O)c1O ZINC001215327738 1093961735 /nfs/dbraw/zinc/96/17/35/1093961735.db2.gz QLQSTKFUMIUGSW-UHFFFAOYSA-N 0 0 322.679 3.313 20 10 DGCDRN Cn1ccc2cc(-c3noc(-c4cc(O)c(O)c(O)c4)n3)ccc21 ZINC001215327672 1093961791 /nfs/dbraw/zinc/96/17/91/1093961791.db2.gz NOJPROXYHPPBQO-UHFFFAOYSA-N 0 0 323.308 3.012 20 10 DGCDRN Oc1cc(-c2nc(-c3cccc4c3CCCC4)no2)cc(O)c1O ZINC001215327452 1093961804 /nfs/dbraw/zinc/96/18/04/1093961804.db2.gz BJTQGKWBVMMZHT-UHFFFAOYSA-N 0 0 324.336 3.399 20 10 DGCDRN CCOc1ccc(Cl)cc1N(CCO)c1ccc(N)cc1 ZINC001216447739 1094200672 /nfs/dbraw/zinc/20/06/72/1094200672.db2.gz SVVURMHKVDUHBL-UHFFFAOYSA-N 0 0 306.793 3.451 20 10 DGCDRN COCn1cc(N(Cc2ccccc2)c2ccc(N)cc2)cn1 ZINC001216578395 1094223384 /nfs/dbraw/zinc/22/33/84/1094223384.db2.gz XKESEYBZIMCJBW-UHFFFAOYSA-N 0 0 308.385 3.408 20 10 DGCDRN COc1cc(-c2nc(-c3ccc(C)c(F)c3)no2)cc(O)c1O ZINC001216944506 1094282829 /nfs/dbraw/zinc/28/28/29/1094282829.db2.gz RUWBRMDTVPIQIU-UHFFFAOYSA-N 0 0 316.288 3.271 20 10 DGCDRN COc1cc(-c2nc(-c3cc(F)ccc3C)no2)cc(O)c1O ZINC001216944486 1094282889 /nfs/dbraw/zinc/28/28/89/1094282889.db2.gz QNRNPTWJZGNUSG-UHFFFAOYSA-N 0 0 316.288 3.271 20 10 DGCDRN Cc1ncccc1-c1noc(-c2ccc(O)c(O)c2Cl)n1 ZINC001216952056 1094283504 /nfs/dbraw/zinc/28/35/04/1094283504.db2.gz ROVMYCPGHPMVCA-UHFFFAOYSA-N 0 0 303.705 3.172 20 10 DGCDRN Cc1cc(-c2noc(-c3ccc(O)c(O)c3Cl)n2)cnc1C ZINC001216952387 1094283645 /nfs/dbraw/zinc/28/36/45/1094283645.db2.gz YCKLUAKSPODICU-UHFFFAOYSA-N 0 0 317.732 3.480 20 10 DGCDRN Cc1cnc(Cl)cc1C(=O)NCc1ccc(N(C)C)cc1 ZINC001119932654 1094312475 /nfs/dbraw/zinc/31/24/75/1094312475.db2.gz ZCJUOKRFHHXCIF-UHFFFAOYSA-N 0 0 303.793 3.039 20 10 DGCDRN C[C@H](Nc1ccc(Br)nn1)c1ccc(N(C)C)cc1 ZINC001120037133 1094360118 /nfs/dbraw/zinc/36/01/18/1094360118.db2.gz CQDSJLZLJDLVRZ-JTQLQIEISA-N 0 0 321.222 3.478 20 10 DGCDRN Nc1ccc(CN2CCO[C@@H](c3ccccc3Cl)C2)cc1 ZINC001120262863 1094396696 /nfs/dbraw/zinc/39/66/96/1094396696.db2.gz FUGYRIWLRFXXCW-QGZVFWFLSA-N 0 0 302.805 3.496 20 10 DGCDRN O=C(/C=C/c1cncc(F)c1)Nc1c2nonc2ccc1Cl ZINC001120344207 1094410084 /nfs/dbraw/zinc/41/00/84/1094410084.db2.gz MCESSSZDIFVNTJ-DAFODLJHSA-N 0 0 318.695 3.062 20 10 DGCDRN Cc1cc(-c2noc(-c3cc4cc(O)c(O)cc4[nH]3)n2)cnc1C ZINC001217471693 1094419488 /nfs/dbraw/zinc/41/94/88/1094419488.db2.gz QJBDZYGRCNSCBL-UHFFFAOYSA-N 0 0 322.324 3.308 20 10 DGCDRN CCCn1ncc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1C ZINC001120637503 1094478977 /nfs/dbraw/zinc/47/89/77/1094478977.db2.gz PKLAGEMIFFBMFO-ZDUSSCGKSA-N 0 0 314.433 3.159 20 10 DGCDRN Cc1ccc(CN(C)C(=O)c2ccc(N=NC(N)=O)cc2)o1 ZINC001135595242 1094587936 /nfs/dbraw/zinc/58/79/36/1094587936.db2.gz NOMVNMSPKLGABF-UHFFFAOYSA-N 0 0 300.318 3.023 20 10 DGCDRN CCC/C=C\[C@H](O)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC001135732848 1094656577 /nfs/dbraw/zinc/65/65/77/1094656577.db2.gz ISSLNFRYGXYAPS-LPADLIQXSA-N 0 0 318.461 3.208 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc(Cl)no1 ZINC001135800621 1094683157 /nfs/dbraw/zinc/68/31/57/1094683157.db2.gz JOBPRZCDVYJFPE-UHFFFAOYSA-N 0 0 319.792 3.200 20 10 DGCDRN Nc1ccc(CNC(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)cc1 ZINC001336866812 1094765115 /nfs/dbraw/zinc/76/51/15/1094765115.db2.gz NTBHDYJARUYTTO-CZIWCDLHSA-N 0 0 313.376 3.153 20 10 DGCDRN O=C(Nc1ccccc1OCCF)N1Cc2cccc(O)c2C1 ZINC001218422293 1094768661 /nfs/dbraw/zinc/76/86/61/1094768661.db2.gz YLWKEZVPPIIXFX-UHFFFAOYSA-N 0 0 316.332 3.288 20 10 DGCDRN Cc1ccc(C2(CNC(=O)NCc3ccc(N)cc3)CC2)c(C)c1 ZINC001336876767 1094769150 /nfs/dbraw/zinc/76/91/50/1094769150.db2.gz JTTJXFCBVLTPCJ-UHFFFAOYSA-N 0 0 323.440 3.417 20 10 DGCDRN Nc1ccc(Cc2nc(C(=O)NC[C@H]3C=CCC3)cs2)cc1 ZINC001337007832 1094813919 /nfs/dbraw/zinc/81/39/19/1094813919.db2.gz QWLRGAXAMBOIBV-ZDUSSCGKSA-N 0 0 313.426 3.012 20 10 DGCDRN C[C@@H](NC(=O)N1CCC[C@H]1C(F)F)c1ccc(N(C)C)cc1 ZINC001121997721 1094861977 /nfs/dbraw/zinc/86/19/77/1094861977.db2.gz YKVMITAZQHTZFJ-RISCZKNCSA-N 0 0 311.376 3.253 20 10 DGCDRN Nc1ccc(CC(=O)Nc2ccc(C3CCOCC3)cc2)cc1 ZINC001218898839 1094899367 /nfs/dbraw/zinc/89/93/67/1094899367.db2.gz SOLHGCSPTHIMNJ-UHFFFAOYSA-N 0 0 310.397 3.344 20 10 DGCDRN CC1(C)C[C@H](COC(=O)/C=C\c2ccc(O)c(O)c2)C(C)(C)O1 ZINC001337308981 1094927558 /nfs/dbraw/zinc/92/75/58/1094927558.db2.gz GRYJNZQSXWSPME-FWPCIQOSSA-N 0 0 320.385 3.248 20 10 DGCDRN COc1ccc2ccc(NC(=O)Cc3ccc(N)cc3)cc2n1 ZINC001219407124 1094973787 /nfs/dbraw/zinc/97/37/87/1094973787.db2.gz VKDFSHQWLXDBLJ-UHFFFAOYSA-N 0 0 307.353 3.007 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)c1 ZINC001337652711 1095051059 /nfs/dbraw/zinc/05/10/59/1095051059.db2.gz ZKKVRKLVTHANGP-HNRKBYSSSA-N 0 0 318.417 3.053 20 10 DGCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2C[C@H]2F)cc1 ZINC001337915522 1095137661 /nfs/dbraw/zinc/13/76/61/1095137661.db2.gz GYLFTOHQYMRTLH-DLBZAZTESA-N 0 0 316.376 3.232 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1cncc(Cl)c1)CCC2 ZINC001136996599 1095276704 /nfs/dbraw/zinc/27/67/04/1095276704.db2.gz RCNBZOINFDOCHW-UHFFFAOYSA-N 0 0 304.777 3.095 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCCc2cc(F)cc(F)c2)c1 ZINC001221710473 1095332982 /nfs/dbraw/zinc/33/29/82/1095332982.db2.gz WIQKKRPXKBRUAG-UHFFFAOYSA-N 0 0 320.339 3.021 20 10 DGCDRN C[C@@H](CCCC(F)(F)F)NC(=O)NCc1ccc(N)cc1 ZINC001338597917 1095343425 /nfs/dbraw/zinc/34/34/25/1095343425.db2.gz ZATTXUVGMMYMRX-JTQLQIEISA-N 0 0 303.328 3.189 20 10 DGCDRN C[C@H](CCCC(F)(F)F)NC(=O)NCc1ccc(N)cc1 ZINC001338597918 1095343458 /nfs/dbraw/zinc/34/34/58/1095343458.db2.gz ZATTXUVGMMYMRX-SNVBAGLBSA-N 0 0 303.328 3.189 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(C)(C)C(F)(F)F ZINC001338682638 1095360986 /nfs/dbraw/zinc/36/09/86/1095360986.db2.gz JANPFCYQMQRGGH-UHFFFAOYSA-N 0 0 302.340 3.266 20 10 DGCDRN CC/C=C/CNC(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC001221878486 1095381474 /nfs/dbraw/zinc/38/14/74/1095381474.db2.gz ACNVWEXWKDADQB-BQYQJAHWSA-N 0 0 307.413 3.437 20 10 DGCDRN Nc1ccc(CNC(=O)N2CCC[C@H](c3ccccc3)C2)cc1 ZINC001338793706 1095391349 /nfs/dbraw/zinc/39/13/49/1095391349.db2.gz SKTPNLHQGUSSOC-KRWDZBQOSA-N 0 0 309.413 3.358 20 10 DGCDRN COc1cccc2c1O[C@H](c1ccc(N3CCCC3)cc1)NC2=O ZINC001115862528 1095408232 /nfs/dbraw/zinc/40/82/32/1095408232.db2.gz VTMGLFUFAPJPCJ-LJQANCHMSA-N 0 0 324.380 3.116 20 10 DGCDRN C[C@H](NC(=O)NC[C@@H]1OCc2ccccc21)c1ccccc1O ZINC001123734063 1095415758 /nfs/dbraw/zinc/41/57/58/1095415758.db2.gz OBJODBFWIXSVES-SJCJKPOMSA-N 0 0 312.369 3.024 20 10 DGCDRN CN(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001338928170 1095439727 /nfs/dbraw/zinc/43/97/27/1095439727.db2.gz CCFZCXNOVOOZOM-QWHCGFSZSA-N 0 0 300.805 3.147 20 10 DGCDRN CCOc1ccc(-c2ccn(Cc3ccncc3)c(=O)c2)c(C)n1 ZINC001222121864 1095444628 /nfs/dbraw/zinc/44/46/28/1095444628.db2.gz KGFISUMFWYKYGY-UHFFFAOYSA-N 0 0 321.380 3.061 20 10 DGCDRN CCOc1ccc(-c2ccn(CC(F)(F)F)c(=O)c2)c(C)n1 ZINC001222122199 1095445354 /nfs/dbraw/zinc/44/53/54/1095445354.db2.gz SXPURZLLIURJLR-UHFFFAOYSA-N 0 0 312.291 3.180 20 10 DGCDRN O=[N+]([O-])c1ccc2c(c1)CN(Cc1c(O)ccc3ccncc31)C2 ZINC001116145587 1095469690 /nfs/dbraw/zinc/46/96/90/1095469690.db2.gz JLPDKTNUMCGZJB-UHFFFAOYSA-N 0 0 321.336 3.364 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)OC2CCCCC2)c1 ZINC001339096029 1095495151 /nfs/dbraw/zinc/49/51/51/1095495151.db2.gz XFILQBFMDWOOBT-QWHCGFSZSA-N 0 0 321.417 3.316 20 10 DGCDRN O=c1[nH]c(C=Cc2ccc(N3CCCC3)cc2)nc2cnccc12 ZINC001116327447 1095517452 /nfs/dbraw/zinc/51/74/52/1095517452.db2.gz STQYSSFUBRWXNO-YVMONPNESA-N 0 0 318.380 3.089 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1CCC2(CCC2)C1 ZINC001339246083 1095558474 /nfs/dbraw/zinc/55/84/74/1095558474.db2.gz FMZSEZUDJFUZHI-UHFFFAOYSA-N 0 0 304.419 3.113 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)[C@@H]3CC[C@H](C)C3)CC2)cc1 ZINC001116480352 1095571157 /nfs/dbraw/zinc/57/11/57/1095571157.db2.gz IWFNNCRAWGPREA-JKSUJKDBSA-N 0 0 316.445 3.170 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cn(C)cc1C(F)(F)F ZINC001116530532 1095589552 /nfs/dbraw/zinc/58/95/52/1095589552.db2.gz PEXBYHAWTRKWAQ-UHFFFAOYSA-N 0 0 312.291 3.022 20 10 DGCDRN C[C@H]1C[C@@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001124621111 1095609558 /nfs/dbraw/zinc/60/95/58/1095609558.db2.gz CAZKKVGFEJBIGA-RDJZCZTQSA-N 0 0 316.445 3.060 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1ccn(C2CCCCC2)n1 ZINC001116799381 1095662116 /nfs/dbraw/zinc/66/21/16/1095662116.db2.gz KHLRIVRBKMQGSJ-UHFFFAOYSA-N 0 0 314.389 3.416 20 10 DGCDRN Oc1cccc2c1CN(Cc1ccncc1Br)CC2 ZINC001137695996 1095714726 /nfs/dbraw/zinc/71/47/26/1095714726.db2.gz SMMBOMJINHXPNI-UHFFFAOYSA-N 0 0 319.202 3.108 20 10 DGCDRN Cc1cc(-c2nnc([C@@H]3CCC(=O)N3)o2)c(C)n1-c1ccccc1 ZINC001117178838 1095725687 /nfs/dbraw/zinc/72/56/87/1095725687.db2.gz MLDKCLVOLYVYJP-HNNXBMFYSA-N 0 0 322.368 3.095 20 10 DGCDRN CC(C)(C)CCCCCC(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001144685742 1095767710 /nfs/dbraw/zinc/76/77/10/1095767710.db2.gz LGDAPANPEKUWRD-UHFFFAOYSA-N 0 0 321.417 3.393 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2scnc2C2CC2)cc1 ZINC001138025582 1095841247 /nfs/dbraw/zinc/84/12/47/1095841247.db2.gz NIZUSEREULSLDZ-UHFFFAOYSA-N 0 0 315.358 3.435 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCC[C@@H](F)C1 ZINC001118124129 1095938596 /nfs/dbraw/zinc/93/85/96/1095938596.db2.gz VJYYFVZEQHLGPE-CVEARBPZSA-N 0 0 317.408 3.143 20 10 DGCDRN O=C(c1nccc2ccccc21)N1CCc2cccc(O)c2C1 ZINC001149151194 1095977662 /nfs/dbraw/zinc/97/76/62/1095977662.db2.gz FZYZWIGZBGCCSS-UHFFFAOYSA-N 0 0 304.349 3.139 20 10 DGCDRN O=C(CCC(=O)c1cccs1)NCc1cc(Cl)ccc1O ZINC001146221059 1096002240 /nfs/dbraw/zinc/00/22/40/1096002240.db2.gz MNVPTLSXIQPJGF-UHFFFAOYSA-N 0 0 323.801 3.386 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NC2CC3(CC3(F)F)C2)cc1 ZINC001118519853 1096026151 /nfs/dbraw/zinc/02/61/51/1096026151.db2.gz BRTXHZZVYWOFSP-UHFFFAOYSA-N 0 0 323.387 3.082 20 10 DGCDRN Cc1cc(CNC(=O)[C@@H](C)n2ccnc2)c(C)n1-c1ccccc1 ZINC001118953069 1096110377 /nfs/dbraw/zinc/11/03/77/1096110377.db2.gz MGFARNDUTCYCQG-MRXNPFEDSA-N 0 0 322.412 3.168 20 10 DGCDRN COCC[C@H]1CCN(C(=O)/C=C/c2cnccn2)c2ccccc21 ZINC001341077440 1096111771 /nfs/dbraw/zinc/11/17/71/1096111771.db2.gz BEFWKHONOVCIIW-LQYUOIDQSA-N 0 0 323.396 3.047 20 10 DGCDRN Cc1ncc(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)cn1 ZINC001146954637 1096141243 /nfs/dbraw/zinc/14/12/43/1096141243.db2.gz LCGSCVHISFRLFR-UHFFFAOYSA-N 0 0 318.380 3.214 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)c1ccn(C)c1 ZINC001147017094 1096155167 /nfs/dbraw/zinc/15/51/67/1096155167.db2.gz KHERQSJMPWUVHZ-KRWDZBQOSA-N 0 0 312.413 3.401 20 10 DGCDRN CC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1cc(F)ccc1F ZINC001147218958 1096189590 /nfs/dbraw/zinc/18/95/90/1096189590.db2.gz RXJTVRIARYDPLV-CQSZACIVSA-N 0 0 321.323 3.186 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@H](C)Oc2cccc(Cl)c2)c1 ZINC001147957857 1096296919 /nfs/dbraw/zinc/29/69/19/1096296919.db2.gz YVNOPZYOOGFKOJ-LBPRGKRZSA-N 0 0 319.788 3.438 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCC2(C=Cc3ccccc32)CC1 ZINC001148212255 1096327762 /nfs/dbraw/zinc/32/77/62/1096327762.db2.gz UBEKWMRWDINOSW-UHFFFAOYSA-N 0 0 321.376 3.299 20 10 DGCDRN O=C(N[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1)c1cccc(O)c1O ZINC001148224449 1096329842 /nfs/dbraw/zinc/32/98/42/1096329842.db2.gz MDEKODIBGCUTOK-IHETXDGRSA-N 0 0 323.392 3.410 20 10 DGCDRN O=C(c1cc(Cl)ccc1F)N1CCc2cccc(O)c2C1 ZINC001148425199 1096368999 /nfs/dbraw/zinc/36/89/99/1096368999.db2.gz QVHXBMGWHDNCOR-UHFFFAOYSA-N 0 0 305.736 3.383 20 10 DGCDRN CC(C)[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)c1ccc(F)cc1 ZINC001148589569 1096408984 /nfs/dbraw/zinc/40/89/84/1096408984.db2.gz CDWKBFCJZZRQKI-OAHLLOKOSA-N 0 0 319.332 3.070 20 10 DGCDRN Cc1c(F)c(C)c(F)c(C(=O)NCc2ccccc2O)c1F ZINC001148762402 1096443489 /nfs/dbraw/zinc/44/34/89/1096443489.db2.gz VNQZVTXLGAOQCP-UHFFFAOYSA-N 0 0 309.287 3.356 20 10 DGCDRN Oc1cc2ccccc2cc1CNc1nccc2nccnc21 ZINC001171399449 1096659474 /nfs/dbraw/zinc/65/94/74/1096659474.db2.gz GIBCLQKINXQXOU-UHFFFAOYSA-N 0 0 302.337 3.496 20 10 DGCDRN COCc1nc(C)cc(NCc2cc3ccccc3cc2O)n1 ZINC001171402441 1096671618 /nfs/dbraw/zinc/67/16/18/1096671618.db2.gz LRBUAWKMAVGWSP-UHFFFAOYSA-N 0 0 309.369 3.402 20 10 DGCDRN O=C1COc2cc(NCc3cc4ccccc4cc3O)ccc2N1 ZINC001171404981 1096676412 /nfs/dbraw/zinc/67/64/12/1096676412.db2.gz NWCJXOZIYBEGAK-UHFFFAOYSA-N 0 0 320.348 3.488 20 10 DGCDRN NC(=O)Cc1ccccc1NCc1cc2ccccc2cc1O ZINC001171407650 1096678928 /nfs/dbraw/zinc/67/89/28/1096678928.db2.gz RSPMULQNVCPTTC-UHFFFAOYSA-N 0 0 306.365 3.185 20 10 DGCDRN C[C@H](NC(=O)Cc1ccc(O)c(Cl)c1)c1ccccc1O ZINC001171730938 1096957191 /nfs/dbraw/zinc/95/71/91/1096957191.db2.gz SREZBYGRCKWMEP-JTQLQIEISA-N 0 0 305.761 3.171 20 10 DGCDRN COc1ccc(N(C)CC(=O)Nc2ccc(F)cc2F)cc1 ZINC001171746149 1096961661 /nfs/dbraw/zinc/96/16/61/1096961661.db2.gz PBNCLIOLACLBLX-UHFFFAOYSA-N 0 0 306.312 3.048 20 10 DGCDRN CN(C)c1ccc(O[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2F)cc1 ZINC001227940585 1097017429 /nfs/dbraw/zinc/01/74/29/1097017429.db2.gz MVWRUXLRQNUWQR-GJZGRUSLSA-N 0 0 324.396 3.089 20 10 DGCDRN O=C1c2ccccc2C(=O)c2c(OC3CC4(COC4)C3)cccc21 ZINC001228073681 1097044926 /nfs/dbraw/zinc/04/49/26/1097044926.db2.gz MCWUMDPRBMFOJC-UHFFFAOYSA-N 0 0 320.344 3.020 20 10 DGCDRN O=C1c2ccccc2C(=O)c2c(O[C@H]3C=CCC3)ccc(O)c21 ZINC001228217657 1097076210 /nfs/dbraw/zinc/07/62/10/1097076210.db2.gz YVDLLXWXOVHPCH-NSHDSACASA-N 0 0 306.317 3.265 20 10 DGCDRN COc1ccc(-c2noc(-c3nnsc3C3CC3)n2)cc1 ZINC001212679661 1097228084 /nfs/dbraw/zinc/22/80/84/1097228084.db2.gz NLXOYMWKPSZSHG-UHFFFAOYSA-N 0 0 300.343 3.141 20 10 DGCDRN COc1ncc(-c2noc(-c3nnsc3C(C)C)n2)cc1C ZINC001212687486 1097260370 /nfs/dbraw/zinc/26/03/70/1097260370.db2.gz WKBMSFCOZGKLNS-UHFFFAOYSA-N 0 0 317.374 3.091 20 10 DGCDRN C[C@@H](CCN(C)C(=O)OC(C)(C)C)[N@H+](C)Cc1ccccc1O ZINC001172971886 1097294750 /nfs/dbraw/zinc/29/47/50/1097294750.db2.gz RDTSXGPMRMSBNZ-AWEZNQCLSA-N 0 0 322.449 3.470 20 10 DGCDRN CC(C)c1ccc(N(C)S(=O)(=O)Cc2ccc(N)cc2)cc1 ZINC001173893744 1097531435 /nfs/dbraw/zinc/53/14/35/1097531435.db2.gz LLRJYHXJFQMRSV-UHFFFAOYSA-N 0 0 318.442 3.358 20 10 DGCDRN O=C(c1cccc(Nc2cccc(O)c2O)c1)N1CCCCC1 ZINC001174173729 1097633358 /nfs/dbraw/zinc/63/33/58/1097633358.db2.gz FJULFQIEBNMJIG-UHFFFAOYSA-N 0 0 312.369 3.468 20 10 DGCDRN COc1ccc(C(=O)c2ccccc2Nc2cncnc2)cc1 ZINC001174387823 1097705215 /nfs/dbraw/zinc/70/52/15/1097705215.db2.gz UOWUNOAQSUYJLZ-UHFFFAOYSA-N 0 0 305.337 3.460 20 10 DGCDRN O=C1c2ccccc2C(=O)c2cc(OC[C@H]3CCCCO3)ccc21 ZINC001231265243 1097708223 /nfs/dbraw/zinc/70/82/23/1097708223.db2.gz APEAWCXIGGVLTF-CQSZACIVSA-N 0 0 322.360 3.410 20 10 DGCDRN O=C1CCC(Oc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 ZINC001231265809 1097708356 /nfs/dbraw/zinc/70/83/56/1097708356.db2.gz JZGKNWOECNVEGB-UHFFFAOYSA-N 0 0 320.344 3.353 20 10 DGCDRN C[C@@H]1C[C@@H](Oc2ccc3c(c2)C(=O)c2ccccc2C3=O)CCO1 ZINC001231266398 1097708421 /nfs/dbraw/zinc/70/84/21/1097708421.db2.gz TZXBUOJDMDWCNI-OCCSQVGLSA-N 0 0 322.360 3.408 20 10 DGCDRN O=C(c1ccc(O)c(O)c1)c1ccc(O)cc1OC1CC=CC1 ZINC001231342637 1097726061 /nfs/dbraw/zinc/72/60/61/1097726061.db2.gz XAFZZFRTMFPSTQ-UHFFFAOYSA-N 0 0 312.321 3.132 20 10 DGCDRN Cc1n[nH]cc1Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001174473492 1097739314 /nfs/dbraw/zinc/73/93/14/1097739314.db2.gz KLBKFQXCGPBTBC-UHFFFAOYSA-N 0 0 303.321 3.237 20 10 DGCDRN O=C([O-])c1ccc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c(O)c1 ZINC001231452145 1097752184 /nfs/dbraw/zinc/75/21/84/1097752184.db2.gz FNVWRSKDKBXFJZ-CYBMUJFWSA-N 0 0 315.344 3.219 20 10 DGCDRN C[N@H+](Cc1ccc(C(=O)[O-])cc1O)Cc1cccc(F)c1F ZINC001231453892 1097753404 /nfs/dbraw/zinc/75/34/04/1097753404.db2.gz LXTSIMUFLLYTII-UHFFFAOYSA-N 0 0 307.296 3.001 20 10 DGCDRN O=C([O-])c1ccc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c(O)c1 ZINC001231453058 1097754048 /nfs/dbraw/zinc/75/40/48/1097754048.db2.gz DUYGDUPOXLLFJD-AWEZNQCLSA-N 0 0 315.344 3.219 20 10 DGCDRN COc1ccc(Br)c(CN2C[C@H](F)C[C@H]2C)c1O ZINC001231547855 1097777202 /nfs/dbraw/zinc/77/72/02/1097777202.db2.gz KMJISYDGKFBDJN-RKDXNWHRSA-N 0 0 318.186 3.096 20 10 DGCDRN COc1ccc(Br)c(CN2CCC[C@@H]2CF)c1O ZINC001231555748 1097779475 /nfs/dbraw/zinc/77/94/75/1097779475.db2.gz RUZKZUFODNACEP-SECBINFHSA-N 0 0 318.186 3.097 20 10 DGCDRN COc1cc(F)ccc1CN1CCCc2cc(O)c(O)cc2C1 ZINC001231608155 1097791704 /nfs/dbraw/zinc/79/17/04/1097791704.db2.gz IQZSQYXATJSWPZ-UHFFFAOYSA-N 0 0 317.360 3.194 20 10 DGCDRN COc1cc(CN2CCCC[C@@H]2C(F)(F)F)c(O)cc1O ZINC001231636441 1097797441 /nfs/dbraw/zinc/79/74/41/1097797441.db2.gz VTRVJJVEIRLDCA-CYBMUJFWSA-N 0 0 305.296 3.023 20 10 DGCDRN COc1cc(CN2CCc3cc(Cl)ccc3C2)c(O)cc1O ZINC001231637854 1097798081 /nfs/dbraw/zinc/79/80/81/1097798081.db2.gz TUEKIYBPXRFHKF-UHFFFAOYSA-N 0 0 319.788 3.318 20 10 DGCDRN Cc1cc(O)c(CN2CCN(C)c3ncccc3C2)cc1Cl ZINC001231869137 1097869963 /nfs/dbraw/zinc/86/99/63/1097869963.db2.gz JNOIDGCNVBZXMX-UHFFFAOYSA-N 0 0 317.820 3.201 20 10 DGCDRN CCc1noc([C@H]2CCC[N@H+](Cc3cccc(Cl)c3[O-])C2)n1 ZINC001231912706 1097890912 /nfs/dbraw/zinc/89/09/12/1097890912.db2.gz SWCVAZPBTAXBJU-LBPRGKRZSA-N 0 0 321.808 3.371 20 10 DGCDRN [O-]c1c(Cl)cccc1CN1CC[C@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001231913925 1097891877 /nfs/dbraw/zinc/89/18/77/1097891877.db2.gz UNSBRXREVJLWNC-GJZGRUSLSA-N 0 0 312.816 3.054 20 10 DGCDRN CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC001231915122 1097892071 /nfs/dbraw/zinc/89/20/71/1097892071.db2.gz ZKMFDSNFXVPQOE-WHOFXGATSA-N 0 0 323.820 3.209 20 10 DGCDRN Nc1cc(Cl)c(Cl)cc1C(=O)N1Cc2cccc(O)c2C1 ZINC001175037771 1097925499 /nfs/dbraw/zinc/92/54/99/1097925499.db2.gz LFTVRBXYZXARGX-UHFFFAOYSA-N 0 0 323.179 3.437 20 10 DGCDRN O=C(Cc1ccc2cccnc2c1)N1Cc2cccc(O)c2C1 ZINC001175037980 1097925614 /nfs/dbraw/zinc/92/56/14/1097925614.db2.gz NJVDDKHBLPVXMG-UHFFFAOYSA-N 0 0 304.349 3.025 20 10 DGCDRN Cc1nc([C@H]2CCCCN2Cc2cc(Cl)c(O)cc2O)no1 ZINC001232266890 1097986757 /nfs/dbraw/zinc/98/67/57/1097986757.db2.gz FKFJTOHAHHAGGP-GFCCVEGCSA-N 0 0 323.780 3.170 20 10 DGCDRN O=C1c2ccccc2C(=O)c2c(Nc3cncs3)ccc(O)c21 ZINC001175497684 1098064579 /nfs/dbraw/zinc/06/45/79/1098064579.db2.gz FMUVHUWAUORUMY-UHFFFAOYSA-N 0 0 322.345 3.368 20 10 DGCDRN C[C@H]1C(=O)CC[N@H+](Cc2ccc(N(C)C)cc2O)C12CCCC2 ZINC001232841675 1098150214 /nfs/dbraw/zinc/15/02/14/1098150214.db2.gz OCNXNJQLGDMESA-AWEZNQCLSA-N 0 0 316.445 3.182 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1ccc(F)c(O)c1F)CCC2 ZINC001232939229 1098177773 /nfs/dbraw/zinc/17/77/73/1098177773.db2.gz HWGUAFNTQKIYQV-UHFFFAOYSA-N 0 0 321.323 3.030 20 10 DGCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1-c1ccc(F)cn1 ZINC001175847365 1098180252 /nfs/dbraw/zinc/18/02/52/1098180252.db2.gz KWICYDGOQKDVOO-PXTJVOGYSA-N 0 0 308.320 3.488 20 10 DGCDRN COc1ccc([C@@H]2CCCN2Cc2cc(O)c(O)c(O)c2)cc1 ZINC001233013837 1098203690 /nfs/dbraw/zinc/20/36/90/1098203690.db2.gz VINPXFMMBMHNLN-HNNXBMFYSA-N 0 0 315.369 3.149 20 10 DGCDRN CSCC[N@H+](C)Cc1c([O-])cc(Br)cc1F ZINC001233030368 1098207126 /nfs/dbraw/zinc/20/71/26/1098207126.db2.gz QSILWBWUNTYPNS-UHFFFAOYSA-N 0 0 308.216 3.089 20 10 DGCDRN COc1ccc2c(c1)CC[N@@H+](Cc1ccc(F)c(F)c1[O-])C2 ZINC001233074179 1098219201 /nfs/dbraw/zinc/21/92/01/1098219201.db2.gz JSMGJFVPWHUNLU-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN O=C1c2ccccc2[C@@H]2C[N@H+](Cc3ccc(F)c(F)c3[O-])C[C@H]12 ZINC001233076923 1098219645 /nfs/dbraw/zinc/21/96/45/1098219645.db2.gz XZIWFNIVEZBQGK-KBPBESRZSA-N 0 0 315.319 3.082 20 10 DGCDRN C[C@H]1C(=O)CC[N@H+](Cc2ccc(F)c(F)c2[O-])C12CCCC2 ZINC001233079808 1098221502 /nfs/dbraw/zinc/22/15/02/1098221502.db2.gz LDAHLKGWCNEYAJ-NSHDSACASA-N 0 0 309.356 3.394 20 10 DGCDRN COc1cc(Cl)cc(CN2CC[C@@H](CF)C(F)(F)C2)c1O ZINC001233287695 1098277825 /nfs/dbraw/zinc/27/78/25/1098277825.db2.gz CTLHGVHMEWSYHE-JTQLQIEISA-N 0 0 323.742 3.481 20 10 DGCDRN [O-]c1ccc(F)c(F)c1C[NH+]1CCC(c2cccnc2)CC1 ZINC001233335596 1098293260 /nfs/dbraw/zinc/29/32/60/1098293260.db2.gz CODZWLSXJZNSJT-UHFFFAOYSA-N 0 0 304.340 3.445 20 10 DGCDRN Cc1cccc(O[C@H]2CC[N@H+](Cc3c([O-])ccc(F)c3F)C2)n1 ZINC001233336275 1098293701 /nfs/dbraw/zinc/29/37/01/1098293701.db2.gz GDHQIXMTVGECQY-LBPRGKRZSA-N 0 0 320.339 3.027 20 10 DGCDRN Oc1ccc(F)c(CN2CCCc3cc(O)c(O)cc3C2)c1F ZINC001233396519 1098314215 /nfs/dbraw/zinc/31/42/15/1098314215.db2.gz HFHDAANMFHGJSM-UHFFFAOYSA-N 0 0 321.323 3.030 20 10 DGCDRN C[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CCC[C@@]1(C)O ZINC001233415685 1098322557 /nfs/dbraw/zinc/32/25/57/1098322557.db2.gz FQLCKUBNFNJCOI-XHDPSFHLSA-N 0 0 317.351 3.394 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CCC[C@]1(C)O ZINC001233415682 1098322674 /nfs/dbraw/zinc/32/26/74/1098322674.db2.gz FQLCKUBNFNJCOI-ABAIWWIYSA-N 0 0 317.351 3.394 20 10 DGCDRN [O-]c1c(C[N@H+]2CCC[C@@H](CO)CC2)cccc1C(F)(F)F ZINC001233415754 1098322702 /nfs/dbraw/zinc/32/27/02/1098322702.db2.gz HTWKUGDGKJELHW-LLVKDONJSA-N 0 0 303.324 3.005 20 10 DGCDRN CC[N@H+](Cc1cccc(C(F)(F)F)c1[O-])C1CCN(C)CC1 ZINC001233417954 1098323362 /nfs/dbraw/zinc/32/33/62/1098323362.db2.gz NXZHWRLBQJBFKB-UHFFFAOYSA-N 0 0 316.367 3.327 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CC[C@]1(C)O ZINC001233415725 1098323867 /nfs/dbraw/zinc/32/38/67/1098323867.db2.gz GWVOGADFCMXJGU-ABAIWWIYSA-N 0 0 317.351 3.394 20 10 DGCDRN C[N@@H+](Cc1cccc(C(F)(F)F)c1[O-])C[C@@H]1CCCCO1 ZINC001233418692 1098325330 /nfs/dbraw/zinc/32/53/30/1098325330.db2.gz RGWADQGLTQIDAN-LBPRGKRZSA-N 0 0 303.324 3.412 20 10 DGCDRN Cc1ncc(-n2c(=N)ccc(/N=N/c3ccccc3)c2N)cn1 ZINC001176393608 1098335097 /nfs/dbraw/zinc/33/50/97/1098335097.db2.gz LRWXCZTYORUFCB-TYTWWTNTSA-N 0 0 305.345 3.053 20 10 DGCDRN Cc1ncc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cn1 ZINC001176395069 1098345210 /nfs/dbraw/zinc/34/52/10/1098345210.db2.gz IVJABVAFAPPHBI-UHFFFAOYSA-N 0 0 315.332 3.304 20 10 DGCDRN Oc1cc(O)c(C[NH+]2CCC(c3ccccc3F)CC2)cc1O ZINC001233485153 1098345545 /nfs/dbraw/zinc/34/55/45/1098345545.db2.gz KVDAGAHCFYZYLD-UHFFFAOYSA-N 0 0 317.360 3.322 20 10 DGCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@H](C)C1CCOCC1 ZINC001233495861 1098351369 /nfs/dbraw/zinc/35/13/69/1098351369.db2.gz SYQOZAZQUMETPB-LLVKDONJSA-N 0 0 308.374 3.275 20 10 DGCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@H](CCC)CC(=O)OC ZINC001233497766 1098351744 /nfs/dbraw/zinc/35/17/44/1098351744.db2.gz RKGIRPZGTUXEBO-LLVKDONJSA-N 0 0 324.373 3.191 20 10 DGCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@@H](C)c1cnccn1 ZINC001233496685 1098352203 /nfs/dbraw/zinc/35/22/03/1098352203.db2.gz ZFTRTSPHYPGUGL-JTQLQIEISA-N 0 0 302.330 3.011 20 10 DGCDRN CCOC(=O)[C@H]1CCC[C@H]1Oc1ccc2c(c1)CCN2CC ZINC001233608229 1098388714 /nfs/dbraw/zinc/38/87/14/1098388714.db2.gz SKAYJPQYTDTRQO-DOTOQJQBSA-N 0 0 303.402 3.180 20 10 DGCDRN CN(c1cccc(C2CC2)c1)S(=O)(=O)Cc1ccc(N)cc1 ZINC001176723528 1098413386 /nfs/dbraw/zinc/41/33/86/1098413386.db2.gz DZNPOOLOVXIZBH-UHFFFAOYSA-N 0 0 316.426 3.112 20 10 DGCDRN CC(C)COc1ccc(C(=O)NCc2cc(O)ccc2O)cc1 ZINC001176747821 1098419185 /nfs/dbraw/zinc/41/91/85/1098419185.db2.gz BTIAIZJKUWQEFB-UHFFFAOYSA-N 0 0 315.369 3.063 20 10 DGCDRN Cc1cccc2c1[C@H](Oc1nc[nH]c3cc(=O)c(O)cc1-3)CC2 ZINC001233949474 1098464656 /nfs/dbraw/zinc/46/46/56/1098464656.db2.gz INRWKMVNKQTRIZ-MRXNPFEDSA-N 0 0 308.337 3.416 20 10 DGCDRN C[C@H](Oc1nc[nH]c2cc(=O)c(O)cc1-2)c1cccc(F)c1F ZINC001233948784 1098465017 /nfs/dbraw/zinc/46/50/17/1098465017.db2.gz LPJHPPQQPNVJBH-QMMMGPOBSA-N 0 0 318.279 3.459 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNc1ccc2c(c1)OCC(=O)N2 ZINC001177391462 1098527442 /nfs/dbraw/zinc/52/74/42/1098527442.db2.gz JHRQAOCYOLRSDF-UHFFFAOYSA-N 0 0 321.380 3.430 20 10 DGCDRN Cc1cc(C)c(CNC(=O)[C@H]2C[C@H]2c2cccs2)c(O)c1 ZINC001177552804 1098547816 /nfs/dbraw/zinc/54/78/16/1098547816.db2.gz VKCOZIWHCHWIHX-OLZOCXBDSA-N 0 0 301.411 3.490 20 10 DGCDRN COc1ccc([C@H](C)Oc2cc(O)c(O)cc2C(C)=O)cc1 ZINC001234473346 1098564636 /nfs/dbraw/zinc/56/46/36/1098564636.db2.gz DQXWIINXYOARPI-NSHDSACASA-N 0 0 302.326 3.449 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1O[C@H](C)c1cc(C)cnc1F ZINC001234477102 1098566144 /nfs/dbraw/zinc/56/61/44/1098566144.db2.gz RFDRAPUCPPSSEJ-SNVBAGLBSA-N 0 0 305.305 3.283 20 10 DGCDRN COc1nc(C)cc(C)c1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001177641435 1098571293 /nfs/dbraw/zinc/57/12/93/1098571293.db2.gz CUYGMZHLDCNRPX-UHFFFAOYSA-N 0 0 324.783 3.495 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@]34CCOC4)c2c1 ZINC001234562968 1098602292 /nfs/dbraw/zinc/60/22/92/1098602292.db2.gz YZCIWPMETCJFLP-LJQANCHMSA-N 0 0 313.397 3.309 20 10 DGCDRN Cc1ccccc1[C@H](O)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001177800317 1098619355 /nfs/dbraw/zinc/61/93/55/1098619355.db2.gz YNUWAMVCJMBXQZ-OAHLLOKOSA-N 0 0 309.768 3.316 20 10 DGCDRN CO[C@]1(C)C[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1(C)C ZINC001177928320 1098657660 /nfs/dbraw/zinc/65/76/60/1098657660.db2.gz GWBDMKFONNYSIR-IUODEOHRSA-N 0 0 301.789 3.478 20 10 DGCDRN Cc1cc(C)c(CNC(=O)C(C)(C)Cc2ccccn2)c(O)c1 ZINC001178189975 1098741205 /nfs/dbraw/zinc/74/12/05/1098741205.db2.gz NDFBFZABICXNEK-UHFFFAOYSA-N 0 0 312.413 3.289 20 10 DGCDRN Cc1nn(C)c2cc(NCc3cc(F)cc(F)c3O)ccc12 ZINC001178775342 1098942093 /nfs/dbraw/zinc/94/20/93/1098942093.db2.gz SUJFPVASKPICMZ-UHFFFAOYSA-N 0 0 303.312 3.478 20 10 DGCDRN [O-]c1c(Br)cc(F)cc1C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001235305573 1098952555 /nfs/dbraw/zinc/95/25/55/1098952555.db2.gz NZMDUOZWYDREBH-QPUJVOFHSA-N 0 0 300.171 3.278 20 10 DGCDRN O=C(CCc1cccc(Cl)c1)NCc1c(O)cccc1O ZINC001178904926 1098968151 /nfs/dbraw/zinc/96/81/51/1098968151.db2.gz DBPJYKWGRFTMIG-UHFFFAOYSA-N 0 0 305.761 3.000 20 10 DGCDRN Cc1cccc2c(CCC(=O)NCc3c(O)cccc3O)c[nH]c21 ZINC001178912898 1098970308 /nfs/dbraw/zinc/97/03/08/1098970308.db2.gz YDBJCZDZQSPOQA-UHFFFAOYSA-N 0 0 324.380 3.137 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(C(F)F)cn1 ZINC001179683161 1099176487 /nfs/dbraw/zinc/17/64/87/1099176487.db2.gz JZPCKGAUNWPIAH-QHHAFSJGSA-N 0 0 306.268 3.082 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)NCc2ccc3ocnc3c2)cc1 ZINC001180129745 1099307331 /nfs/dbraw/zinc/30/73/31/1099307331.db2.gz FMCKFDOEAWAIHY-UXBLZVDNSA-N 0 0 321.380 3.223 20 10 DGCDRN Cc1nc(Cl)cc(NC(=O)/C=C/c2ccc(N(C)C)cc2)n1 ZINC001180122440 1099321234 /nfs/dbraw/zinc/32/12/34/1099321234.db2.gz XWLJHVBOAGKGLX-RMKNXTFCSA-N 0 0 316.792 3.156 20 10 DGCDRN CN(C)c1ccc(C=CC(=O)Nc2cc(Cl)c[nH]c2=O)cc1 ZINC001180124009 1099321531 /nfs/dbraw/zinc/32/15/31/1099321531.db2.gz WIOIUWOPWUHWGR-VMPITWQZSA-N 0 0 317.776 3.159 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)Nc2ccnn2CC2CC2)cc1 ZINC001180123987 1099321731 /nfs/dbraw/zinc/32/17/31/1099321731.db2.gz UYRSEHXEMODUQE-JXMROGBWSA-N 0 0 310.401 3.011 20 10 DGCDRN CCN(c1ccccc1)c1cc(-c2cnc3nonc3c2)ncn1 ZINC001236022655 1099338839 /nfs/dbraw/zinc/33/88/39/1099338839.db2.gz VJJPGJXVIFZPAL-UHFFFAOYSA-N 0 0 318.340 3.233 20 10 DGCDRN CN(C)c1cc(F)c(CN2CCc3ccc(O)cc3C2)cc1F ZINC001180275407 1099354251 /nfs/dbraw/zinc/35/42/51/1099354251.db2.gz PMWLVHYPLXGFEV-UHFFFAOYSA-N 0 0 318.367 3.295 20 10 DGCDRN Cc1ccccc1OCCC(=O)NCc1cccc(Cl)c1O ZINC001180410859 1099411511 /nfs/dbraw/zinc/41/15/11/1099411511.db2.gz SVUVGNMMRPJZMX-UHFFFAOYSA-N 0 0 319.788 3.439 20 10 DGCDRN COc1cc(C)cc(CNc2c[nH]nc2-c2ccccn2)c1O ZINC001180479254 1099419160 /nfs/dbraw/zinc/41/91/60/1099419160.db2.gz JDSXSNNAFXDAAC-UHFFFAOYSA-N 0 0 310.357 3.106 20 10 DGCDRN Cc1cc(C)cc(OCC(=O)NCc2c(C)cc(C)cc2O)c1 ZINC001180541324 1099451215 /nfs/dbraw/zinc/45/12/15/1099451215.db2.gz AQAHQUMQLVDXLQ-UHFFFAOYSA-N 0 0 313.397 3.321 20 10 DGCDRN COc1cncc(-c2ccn(Cc3ccccc3)c(=O)c2)c1C ZINC001236386327 1099568479 /nfs/dbraw/zinc/56/84/79/1099568479.db2.gz CFISTFFUCPKBPH-UHFFFAOYSA-N 0 0 306.365 3.276 20 10 DGCDRN CSc1ccc(NC(=O)NCc2ccc(O)cc2O)cc1 ZINC001188120230 1099690480 /nfs/dbraw/zinc/69/04/80/1099690480.db2.gz JDFSAWZRORQBDX-UHFFFAOYSA-N 0 0 304.371 3.141 20 10 DGCDRN Cc1cc(Br)c(O)c(CN2Cc3cccnc3C2)c1 ZINC001236665127 1099733054 /nfs/dbraw/zinc/73/30/54/1099733054.db2.gz AWLBIZBNCAOMCT-UHFFFAOYSA-N 0 0 319.202 3.374 20 10 DGCDRN CC[N@H+](Cc1cc(C)cc(Br)c1[O-])CC(C)(C)O ZINC001236670214 1099737565 /nfs/dbraw/zinc/73/75/65/1099737565.db2.gz XIDVVWVNRADHKO-UHFFFAOYSA-N 0 0 316.239 3.056 20 10 DGCDRN CCc1ccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c(O)c1 ZINC001236783551 1099780639 /nfs/dbraw/zinc/78/06/39/1099780639.db2.gz MFAGPKLDEVIZBF-HNNXBMFYSA-N 0 0 317.351 3.234 20 10 DGCDRN Oc1ccc(OCc2ccccc2)cc1CN1C[C@@H](F)[C@@H](F)C1 ZINC001236780228 1099781738 /nfs/dbraw/zinc/78/17/38/1099781738.db2.gz ZQZOMHUPZSLRKB-CALCHBBNSA-N 0 0 319.351 3.463 20 10 DGCDRN COc1cc(O)c(CN2CCC(=O)[C@H]3CCCC[C@@H]32)c(Cl)c1 ZINC001236797726 1099792230 /nfs/dbraw/zinc/79/22/30/1099792230.db2.gz INNNKGCCZWUWFW-WFASDCNBSA-N 0 0 323.820 3.388 20 10 DGCDRN CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236800520 1099793238 /nfs/dbraw/zinc/79/32/38/1099793238.db2.gz VMWOTPJAJVKPTC-CYBMUJFWSA-N 0 0 304.217 3.434 20 10 DGCDRN COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236801152 1099795771 /nfs/dbraw/zinc/79/57/71/1099795771.db2.gz AXTQLRKNCAIREK-AWEZNQCLSA-N 0 0 318.200 3.084 20 10 DGCDRN COC(=O)C[C@H]1CC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236802285 1099795862 /nfs/dbraw/zinc/79/58/62/1099795862.db2.gz ITAMSHSVYQMYCE-SECBINFHSA-N 0 0 318.200 3.084 20 10 DGCDRN COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCCO3)c([O-])c1Cl ZINC001236802074 1099796813 /nfs/dbraw/zinc/79/68/13/1099796813.db2.gz NUJBCFOUNZWPJG-MRXNPFEDSA-N 0 0 311.809 3.199 20 10 DGCDRN COc1ccc(C[N@H+](C)CCc2ccncc2)c([O-])c1Cl ZINC001236810991 1099799348 /nfs/dbraw/zinc/79/93/48/1099799348.db2.gz DFSNZUHBSIXMOV-UHFFFAOYSA-N 0 0 306.793 3.124 20 10 DGCDRN C[C@@]1(CO)CC(F)(F)CN1Cc1cc2ccccc2cc1O ZINC001236827132 1099810346 /nfs/dbraw/zinc/81/03/46/1099810346.db2.gz PSQUMXCWLIANFL-INIZCTEOSA-N 0 0 307.340 3.137 20 10 DGCDRN Oc1cc2ccccc2cc1CN1CC(Oc2cccnc2)C1 ZINC001236842088 1099825607 /nfs/dbraw/zinc/82/56/07/1099825607.db2.gz UHWYXSOVWDTVEG-UHFFFAOYSA-N 0 0 306.365 3.204 20 10 DGCDRN C[N@@H+](Cc1ccc(Br)cc1O)C[C@@H]1CCCOC1 ZINC000691677337 1099936228 /nfs/dbraw/zinc/93/62/28/1099936228.db2.gz NBEPOZDVTVAPBK-NSHDSACASA-N 0 0 314.223 3.013 20 10 DGCDRN CC(C)c1ccc(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c(O)c1 ZINC001237044362 1099942285 /nfs/dbraw/zinc/94/22/85/1099942285.db2.gz CHUUSWRRDWUEMR-OAHLLOKOSA-N 0 0 317.351 3.262 20 10 DGCDRN CCOc1ccc(C[N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c(O)c1 ZINC001237050058 1099944496 /nfs/dbraw/zinc/94/44/96/1099944496.db2.gz NVFVDSKJGNTYFV-DGCLKSJQSA-N 0 0 321.314 3.371 20 10 DGCDRN CCOc1ccc(CN2CC(F)(F)C[C@@]2(C)CF)c(O)c1 ZINC001237050746 1099945859 /nfs/dbraw/zinc/94/58/59/1099945859.db2.gz WRFKWKORYHALPH-AWEZNQCLSA-N 0 0 303.324 3.360 20 10 DGCDRN CC(C)c1ccc(CN2CCN(c3ccccc3)C(=O)C2)c(O)c1 ZINC001237053288 1099946517 /nfs/dbraw/zinc/94/65/17/1099946517.db2.gz IHPSRJXTEGKEGZ-UHFFFAOYSA-N 0 0 324.424 3.364 20 10 DGCDRN C[C@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2Cl)CC[C@]1(C)O ZINC001237078098 1099959012 /nfs/dbraw/zinc/95/90/12/1099959012.db2.gz NSPZCTIWJMDGPA-XPTSAGLGSA-N 0 0 304.217 3.292 20 10 DGCDRN C[N@@H+]1C[C@@H]2CCCN(Cc3c(O)ccc(Cl)c3Cl)[C@@H]2C1 ZINC001237081856 1099961347 /nfs/dbraw/zinc/96/13/47/1099961347.db2.gz NPCMUZVYYOPAIY-GXFFZTMASA-N 0 0 315.244 3.225 20 10 DGCDRN Oc1ccc(F)c(Cl)c1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC001237127183 1099984409 /nfs/dbraw/zinc/98/44/09/1099984409.db2.gz VAMNCVPAFALLHX-LBPRGKRZSA-N 0 0 312.816 3.245 20 10 DGCDRN C[N@@H+](Cc1cc(C(F)(F)F)ccc1O)C[C@@H]1CCCCO1 ZINC001237140092 1099989483 /nfs/dbraw/zinc/98/94/83/1099989483.db2.gz UOAGSQLDCYZNQH-ZDUSSCGKSA-N 0 0 303.324 3.412 20 10 DGCDRN CC(C)[C@@H]1CN(Cc2cc(C(F)(F)F)ccc2O)CCO1 ZINC001237138979 1099991046 /nfs/dbraw/zinc/99/10/46/1099991046.db2.gz ARXWDOQXDLSAKH-AWEZNQCLSA-N 0 0 303.324 3.268 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2cccc(-c3cn[nH]c3)c2)c(O)c1 ZINC001189256949 1099994636 /nfs/dbraw/zinc/99/46/36/1099994636.db2.gz OAZPCHDCXKUIGA-UHFFFAOYSA-N 0 0 321.380 3.329 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1CN(C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237160335 1100009230 /nfs/dbraw/zinc/00/92/30/1100009230.db2.gz JPNZPQHRIRFOIY-AWEZNQCLSA-N 0 0 312.816 3.291 20 10 DGCDRN Cc1nc([C@@H]2COCCN2Cc2c(C)cccc2O)cs1 ZINC001237485759 1100140006 /nfs/dbraw/zinc/14/00/06/1100140006.db2.gz LSRGCCVVIVSIAP-HNNXBMFYSA-N 0 0 304.415 3.039 20 10 DGCDRN Cc1cc(O)c(CN2CCC(F)(F)C2)cc1Br ZINC001237677310 1100211840 /nfs/dbraw/zinc/21/18/40/1100211840.db2.gz LJNAFTMJJUYNEA-UHFFFAOYSA-N 0 0 306.150 3.304 20 10 DGCDRN COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC001237682061 1100211877 /nfs/dbraw/zinc/21/18/77/1100211877.db2.gz WFEMNKQWEDPAEP-VXGBXAGGSA-N 0 0 311.809 3.128 20 10 DGCDRN Cn1ccc(C2CC[NH+](Cc3cc(F)c(Cl)cc3[O-])CC2)n1 ZINC001237940432 1100299564 /nfs/dbraw/zinc/29/95/64/1100299564.db2.gz KQDBXMMUQMIYFN-UHFFFAOYSA-N 0 0 323.799 3.298 20 10 DGCDRN CCOCC[NH+](CCOCC)Cc1cc(F)c(Cl)cc1[O-] ZINC001237950373 1100300604 /nfs/dbraw/zinc/30/06/04/1100300604.db2.gz SFSVFBDJYHDHDM-UHFFFAOYSA-N 0 0 319.804 3.060 20 10 DGCDRN CCOC(=O)C[C@@H]1CC[N@H+](Cc2cc(F)cc(C)c2O)C[C@H]1C ZINC001238067554 1100349431 /nfs/dbraw/zinc/34/94/31/1100349431.db2.gz UVKXOOZWYXPPST-KGLIPLIRSA-N 0 0 323.408 3.251 20 10 DGCDRN CC[N@H+](Cc1ccccc1O)Cc1ncc(C)c(OC)c1C ZINC001238175165 1100380761 /nfs/dbraw/zinc/38/07/61/1100380761.db2.gz MOQXTSMLCUNKKE-UHFFFAOYSA-N 0 0 300.402 3.435 20 10 DGCDRN O=C(c1ccccc1N1CCCC1)N1CCc2cccc(O)c2C1 ZINC001191221547 1100432073 /nfs/dbraw/zinc/43/20/73/1100432073.db2.gz DOZWNJFNCNRBPN-UHFFFAOYSA-N 0 0 322.408 3.191 20 10 DGCDRN O=c1cc(-c2cnn(C(F)F)c2)ccn1Cc1ccc(F)cc1 ZINC001238868682 1100547981 /nfs/dbraw/zinc/54/79/81/1100547981.db2.gz FILZCGPLHNQAPF-UHFFFAOYSA-N 0 0 319.286 3.294 20 10 DGCDRN Cc1cc(-c2nc3ccccc3n2C)c(-c2cccnc2)nn1 ZINC001239567220 1100690792 /nfs/dbraw/zinc/69/07/92/1100690792.db2.gz AATYYDYUKUJYKK-UHFFFAOYSA-N 0 0 301.353 3.401 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCc3c2cccc3F)c1O ZINC001193105359 1100705622 /nfs/dbraw/zinc/70/56/22/1100705622.db2.gz XXLBHYGINYDKCM-UHFFFAOYSA-N 0 0 303.308 3.436 20 10 DGCDRN COc1cc(NC(=O)c2ccc(O)c(O)c2Cl)cc(OC)c1 ZINC001193209900 1100717982 /nfs/dbraw/zinc/71/79/82/1100717982.db2.gz PULGLBDPGZXGFD-UHFFFAOYSA-N 0 0 323.732 3.021 20 10 DGCDRN O=C(Nc1ccc(C(F)F)nc1)c1ccc(O)c(O)c1Cl ZINC001193220903 1100718416 /nfs/dbraw/zinc/71/84/16/1100718416.db2.gz ZLPNJCSIXBIOKS-UHFFFAOYSA-N 0 0 314.675 3.336 20 10 DGCDRN CN(CCc1ccc(F)cc1)C(=O)c1ccc(O)c(O)c1Cl ZINC001193225119 1100721967 /nfs/dbraw/zinc/72/19/67/1100721967.db2.gz IHDOWNVHBUKUHE-UHFFFAOYSA-N 0 0 323.751 3.205 20 10 DGCDRN Cc1cc(-c2nccn2C)c(-c2cnc3ccccc3c2)nn1 ZINC001239793270 1100757418 /nfs/dbraw/zinc/75/74/18/1100757418.db2.gz BOOQZYGTUZRSJM-UHFFFAOYSA-N 0 0 301.353 3.401 20 10 DGCDRN COc1ncccc1-c1ccn(Cc2cccc(F)c2)c(=O)c1 ZINC001239859534 1100777893 /nfs/dbraw/zinc/77/78/93/1100777893.db2.gz SNVYPQPYCQKULQ-UHFFFAOYSA-N 0 0 310.328 3.106 20 10 DGCDRN COc1ccc(N2CCN(C(=O)OC3CCCCC3)CC2)cc1 ZINC001193597607 1100779942 /nfs/dbraw/zinc/77/99/42/1100779942.db2.gz RQPRYGYTICLDLH-UHFFFAOYSA-N 0 0 318.417 3.287 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(C(=O)OCC(C)C)C1 ZINC001193823868 1100818057 /nfs/dbraw/zinc/81/80/57/1100818057.db2.gz OGVIPXVYONOXSK-UHFFFAOYSA-N 0 0 316.401 3.338 20 10 DGCDRN CCN(Cc1ccccc1O)S(=O)(=O)c1c(C)cccc1C ZINC001194630869 1100977173 /nfs/dbraw/zinc/97/71/73/1100977173.db2.gz LIIRIQUOKLPGAQ-UHFFFAOYSA-N 0 0 319.426 3.220 20 10 DGCDRN Cc1cccc(C)c1S(=O)(=O)N[C@H](C)c1ccccc1O ZINC001194656298 1100982752 /nfs/dbraw/zinc/98/27/52/1100982752.db2.gz MXZZDVTUDRPZHP-CYBMUJFWSA-N 0 0 305.399 3.049 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)OC[C@@H](C)CC)CC2)cc1 ZINC001194796450 1101005949 /nfs/dbraw/zinc/00/59/49/1101005949.db2.gz ORTSMKXZQCYKDF-HNNXBMFYSA-N 0 0 320.433 3.390 20 10 DGCDRN Cc1cc2cc(-c3ccn(CC(F)(F)F)c(=O)c3)cnc2[nH]1 ZINC001240490521 1101019962 /nfs/dbraw/zinc/01/99/62/1101019962.db2.gz YJERBFQBGWWGAH-UHFFFAOYSA-N 0 0 307.275 3.262 20 10 DGCDRN O=c1cc(-c2cnn(CC3CC3)c2)ccn1Cc1ccccc1F ZINC001240515346 1101030883 /nfs/dbraw/zinc/03/08/83/1101030883.db2.gz MQXAPLQDCPGNSD-UHFFFAOYSA-N 0 0 323.371 3.309 20 10 DGCDRN CN(Cc1ccn(C)c(=O)c1)c1ccc(-c2nccs2)cc1 ZINC001194994630 1101050630 /nfs/dbraw/zinc/05/06/30/1101050630.db2.gz YVUZKTLZQIHNOZ-UHFFFAOYSA-N 0 0 311.410 3.145 20 10 DGCDRN COc1ccc(NC(=S)N[C@H](C)c2ccccc2O)cc1 ZINC001195720891 1101187626 /nfs/dbraw/zinc/18/76/26/1101187626.db2.gz QMPWFNGUZLTFFX-LLVKDONJSA-N 0 0 302.399 3.448 20 10 DGCDRN CCOc1ccnc(CNC(=S)Nc2ccccc2F)c1 ZINC001195801948 1101205043 /nfs/dbraw/zinc/20/50/43/1101205043.db2.gz UIXRBGSZETWJFF-UHFFFAOYSA-N 0 0 305.378 3.106 20 10 DGCDRN COc1ccnc(CNC(=S)Nc2cc(F)ccc2C)c1 ZINC001195925616 1101222469 /nfs/dbraw/zinc/22/24/69/1101222469.db2.gz FLROPGPAKMNSNX-UHFFFAOYSA-N 0 0 305.378 3.024 20 10 DGCDRN COc1cccc(NC(=S)NCc2nc(C)ccc2F)c1 ZINC001196068756 1101244048 /nfs/dbraw/zinc/24/40/48/1101244048.db2.gz ADTLBMGVPNGWIT-UHFFFAOYSA-N 0 0 305.378 3.024 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2ccc(C(F)F)nc2)c(O)c1 ZINC001196102662 1101250959 /nfs/dbraw/zinc/25/09/59/1101250959.db2.gz YCFQXEVCQFWQRG-UHFFFAOYSA-N 0 0 306.312 3.272 20 10 DGCDRN COc1ccnc(CNC(=S)Nc2ccc(F)cc2C)c1 ZINC001196137437 1101253766 /nfs/dbraw/zinc/25/37/66/1101253766.db2.gz VWZYWCCFBOHYHF-UHFFFAOYSA-N 0 0 305.378 3.024 20 10 DGCDRN Cc1c(C)n(Cc2ccco2)c2ncnc(-c3ccc[nH]c3=O)c12 ZINC001241107764 1101257204 /nfs/dbraw/zinc/25/72/04/1101257204.db2.gz ZTPDFLWFTNFZLD-UHFFFAOYSA-N 0 0 320.352 3.457 20 10 DGCDRN CCOC(=O)Cc1ccc(C2=CCN(c3ccccc3)CC2)cn1 ZINC001241352340 1101397677 /nfs/dbraw/zinc/39/76/77/1101397677.db2.gz RNCWSMUZZHJTRR-UHFFFAOYSA-N 0 0 322.408 3.481 20 10 DGCDRN COCCOc1cncc(C2=CCN(c3ccccc3)CC2)c1 ZINC001241359922 1101401436 /nfs/dbraw/zinc/40/14/36/1101401436.db2.gz GSALPDAYIRDVOS-UHFFFAOYSA-N 0 0 310.397 3.401 20 10 DGCDRN COC(=O)[C@@H](C)c1ncc(C2=CCN(c3ccccc3)CC2)cn1 ZINC001241360435 1101403339 /nfs/dbraw/zinc/40/33/39/1101403339.db2.gz PEVIRLCKAVKPNY-AWEZNQCLSA-N 0 0 323.396 3.047 20 10 DGCDRN COc1ncc(C)cc1-c1ccn(Cc2ccccc2)c(=O)c1 ZINC001241366496 1101407686 /nfs/dbraw/zinc/40/76/86/1101407686.db2.gz GDVRFFDYKRBBCB-UHFFFAOYSA-N 0 0 306.365 3.276 20 10 DGCDRN COc1ncc(-c2ccn(Cc3ccc(F)cc3)c(=O)c2)s1 ZINC001241418012 1101444279 /nfs/dbraw/zinc/44/42/79/1101444279.db2.gz RCIWCBUQHLIQEH-UHFFFAOYSA-N 0 0 316.357 3.168 20 10 DGCDRN COc1ccnc(CNC(=S)Nc2ccc(Cl)cc2)c1 ZINC001197344889 1101533966 /nfs/dbraw/zinc/53/39/66/1101533966.db2.gz VXGCCUUMKDCZAE-UHFFFAOYSA-N 0 0 307.806 3.230 20 10 DGCDRN Oc1ccc(CNC(=S)Nc2ccc(Cl)cc2)c(O)c1 ZINC001197346939 1101536830 /nfs/dbraw/zinc/53/68/30/1101536830.db2.gz ZGILOXXTOUYVND-UHFFFAOYSA-N 0 0 308.790 3.238 20 10 DGCDRN S=C(NCc1cccc2ccnn21)Nc1ccc(Cl)cc1 ZINC001197353997 1101539098 /nfs/dbraw/zinc/53/90/98/1101539098.db2.gz BKKPSBXHZCJGEU-UHFFFAOYSA-N 0 0 316.817 3.474 20 10 DGCDRN Cc1cccc(C)c1N1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203881866 1101624928 /nfs/dbraw/zinc/62/49/28/1101624928.db2.gz VYCWJJCLKRWVEG-UHFFFAOYSA-N 0 0 312.413 3.037 20 10 DGCDRN CCOC(=O)c1cnc2ncc(-c3cccc4c3ccn4C)cn12 ZINC001241822219 1101727958 /nfs/dbraw/zinc/72/79/58/1101727958.db2.gz TZWMRLONXRTQRP-UHFFFAOYSA-N 0 0 320.352 3.065 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2CC2CC2)c1O ZINC001198041431 1101748392 /nfs/dbraw/zinc/74/83/92/1101748392.db2.gz DXSRCVPKXBUMQF-HNNXBMFYSA-N 0 0 323.820 3.249 20 10 DGCDRN O=c1cc(-c2cnn(C3CC3)c2)ccn1Cc1cccc(F)c1 ZINC001241910245 1101776007 /nfs/dbraw/zinc/77/60/07/1101776007.db2.gz HJIJLUDIYGJTSD-UHFFFAOYSA-N 0 0 309.344 3.234 20 10 DGCDRN COCCn1ccc(-c2c(F)ccc3ccc(C)nc32)cc1=O ZINC001242053627 1101883873 /nfs/dbraw/zinc/88/38/73/1101883873.db2.gz IHPAIHAIFZNOCT-UHFFFAOYSA-N 0 0 312.344 3.157 20 10 DGCDRN Cc1cc2cccc(C(=O)N3CCc4cccc(O)c4C3)c2[nH]1 ZINC001198560212 1101905277 /nfs/dbraw/zinc/90/52/77/1101905277.db2.gz MBPGHDDTJXGXOA-UHFFFAOYSA-N 0 0 306.365 3.380 20 10 DGCDRN COc1c(F)cc(NC(=O)N2Cc3cccc(O)c3C2)cc1F ZINC001198717929 1101973046 /nfs/dbraw/zinc/97/30/46/1101973046.db2.gz GEBFCQWQSSTNAR-UHFFFAOYSA-N 0 0 320.295 3.227 20 10 DGCDRN CN(C)c1cccc(NS(=O)(=O)c2ccc3occc3c2)c1 ZINC001198867862 1102015794 /nfs/dbraw/zinc/01/57/94/1102015794.db2.gz CSZANSSZPXGRCF-UHFFFAOYSA-N 0 0 316.382 3.300 20 10 DGCDRN Cc1ccc(/C=C\C(=O)N2CCOc3c(F)ccc(F)c32)cn1 ZINC001278345338 1102067211 /nfs/dbraw/zinc/06/72/11/1102067211.db2.gz PCTCRSTVYIRKFA-DAXSKMNVSA-N 0 0 316.307 3.107 20 10 DGCDRN O=c1cc(-c2cccc3cc[nH]c32)ccn1Cc1ccncc1 ZINC001242362038 1102077741 /nfs/dbraw/zinc/07/77/41/1102077741.db2.gz VQHQFTITTZPYGL-UHFFFAOYSA-N 0 0 301.349 3.440 20 10 DGCDRN CC(=O)c1ccc(-c2ccn(Cc3ccccc3F)c(=O)c2)cn1 ZINC001242403859 1102107691 /nfs/dbraw/zinc/10/76/91/1102107691.db2.gz KHCZSSUPNBGMGU-UHFFFAOYSA-N 0 0 322.339 3.300 20 10 DGCDRN CC(=O)c1ccc(-c2ccn(Cc3ccccc3)c(=O)c2)cn1 ZINC001242402383 1102108498 /nfs/dbraw/zinc/10/84/98/1102108498.db2.gz YXCHMQWSEFYFHG-UHFFFAOYSA-N 0 0 304.349 3.161 20 10 DGCDRN COc1ncc(Cl)cc1-c1cc(=O)n(C)c2ccccc12 ZINC001242509852 1102179077 /nfs/dbraw/zinc/17/90/77/1102179077.db2.gz PUHQXLCHOZLQCA-UHFFFAOYSA-N 0 0 300.745 3.263 20 10 DGCDRN CCOc1cncc(-c2ccn(Cc3ccccc3)c(=O)c2)c1 ZINC001242659104 1102269434 /nfs/dbraw/zinc/26/94/34/1102269434.db2.gz FPDRMNUQTUEBTO-UHFFFAOYSA-N 0 0 306.365 3.357 20 10 DGCDRN O=c1cc(-c2ccccc2-n2cccn2)ccn1CC(F)(F)F ZINC001242712524 1102302064 /nfs/dbraw/zinc/30/20/64/1102302064.db2.gz CZZGHESTCYKRGJ-UHFFFAOYSA-N 0 0 319.286 3.263 20 10 DGCDRN COc1ncc(-c2ccn(CC(F)(F)F)c(=O)c2)cc1Cl ZINC001242934472 1102427040 /nfs/dbraw/zinc/42/70/40/1102427040.db2.gz UPUQDXMSWMYBKL-UHFFFAOYSA-N 0 0 318.682 3.135 20 10 DGCDRN Oc1ccc(CNC(=S)Nc2ccccc2Cl)c(O)c1 ZINC001200865408 1102427828 /nfs/dbraw/zinc/42/78/28/1102427828.db2.gz CSMWLJNNUYZREW-UHFFFAOYSA-N 0 0 308.790 3.238 20 10 DGCDRN CCOc1ccnc(CNC(=S)Nc2ccc(F)cc2F)c1 ZINC001200936317 1102441868 /nfs/dbraw/zinc/44/18/68/1102441868.db2.gz YXWHWHMOCOQSMT-UHFFFAOYSA-N 0 0 323.368 3.245 20 10 DGCDRN COC(=O)c1ccc(-c2ccc(C3=S=C(C)C=C3)nn2)cc1C ZINC001243020054 1102477708 /nfs/dbraw/zinc/47/77/08/1102477708.db2.gz XDMPPAUEMNLGMQ-UHFFFAOYSA-N 0 0 324.405 3.254 20 10 DGCDRN Oc1ccc(CNC(=S)Nc2cccc(Cl)c2)cc1O ZINC001201108213 1102488805 /nfs/dbraw/zinc/48/88/05/1102488805.db2.gz OEXSVOGHLZUIDK-UHFFFAOYSA-N 0 0 308.790 3.238 20 10 DGCDRN COc1cccc(CNC(=S)Nc2ccc(SC)cc2)n1 ZINC001201191850 1102513314 /nfs/dbraw/zinc/51/33/14/1102513314.db2.gz DSUYTWFHBLASJC-UHFFFAOYSA-N 0 0 319.455 3.299 20 10 DGCDRN Cc1cc(C)cc(NC(=S)NCc2ccc(O)cc2O)c1 ZINC001201213146 1102522309 /nfs/dbraw/zinc/52/23/09/1102522309.db2.gz VGNRIDZYSSGLBS-UHFFFAOYSA-N 0 0 302.399 3.201 20 10 DGCDRN COc1c(F)cc(F)cc1NC(=O)N1Cc2cccc(O)c2C1 ZINC001201616277 1102671950 /nfs/dbraw/zinc/67/19/50/1102671950.db2.gz FUVXFZXINFKDLC-UHFFFAOYSA-N 0 0 320.295 3.227 20 10 DGCDRN CCc1ncsc1NC(=O)NCc1cc(Cl)ccc1O ZINC001202285123 1102926275 /nfs/dbraw/zinc/92/62/75/1102926275.db2.gz BTCARSCASSSEJP-UHFFFAOYSA-N 0 0 311.794 3.386 20 10 DGCDRN O=c1cc(-c2cc(C3CC3)cnc2F)ccn1Cc1cccnc1 ZINC001243874792 1103024018 /nfs/dbraw/zinc/02/40/18/1103024018.db2.gz SWKHWNJBZRAJEQ-UHFFFAOYSA-N 0 0 321.355 3.370 20 10 DGCDRN COCCn1ccc(-c2cnc(F)c(-c3ccccc3)c2)cc1=O ZINC001243899781 1103038638 /nfs/dbraw/zinc/03/86/38/1103038638.db2.gz JUPUXZJHSXTYDD-UHFFFAOYSA-N 0 0 324.355 3.363 20 10 DGCDRN Nc1ccc(NC(=O)N2Cc3ccc(O)cc3C3(CC3)C2)cc1 ZINC001325637829 1103089514 /nfs/dbraw/zinc/08/95/14/1103089514.db2.gz AFWQVJKWOKKAIH-UHFFFAOYSA-N 0 0 309.369 3.054 20 10 DGCDRN Cc1conc1NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001325655249 1103093705 /nfs/dbraw/zinc/09/37/05/1103093705.db2.gz JFAQTBSQUCZNMG-CYBMUJFWSA-N 0 0 316.405 3.110 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1-c1nnc(CN(C)C)o1 ZINC001325780767 1103124987 /nfs/dbraw/zinc/12/49/87/1103124987.db2.gz VWGNRDXFAQOAHX-UHFFFAOYSA-N 0 0 302.403 3.267 20 10 DGCDRN CC(C)[C@@]1(CO)CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001325929361 1103166321 /nfs/dbraw/zinc/16/63/21/1103166321.db2.gz ZGZAQXAIAOTKEB-HNNXBMFYSA-N 0 0 301.789 3.025 20 10 DGCDRN CO[C@H]1CC[C@@H](NC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001326202941 1103232679 /nfs/dbraw/zinc/23/26/79/1103232679.db2.gz YDDOLDYAMSVDSO-AEFFLSMTSA-N 0 0 312.413 3.391 20 10 DGCDRN CSc1ncc(-c2ccc3ncc(=O)n(C)c3c2)cc1Cl ZINC001244247769 1103310231 /nfs/dbraw/zinc/31/02/31/1103310231.db2.gz QDEBBMJRYQOEKP-UHFFFAOYSA-N 0 0 317.801 3.371 20 10 DGCDRN O=C(CC1(C(F)(F)F)CC1)NCc1cc(Cl)ccc1O ZINC001327427530 1103640901 /nfs/dbraw/zinc/64/09/01/1103640901.db2.gz NDMUDGIJAUHHNJ-UHFFFAOYSA-N 0 0 307.699 3.394 20 10 DGCDRN CNC(=O)Cc1ccccc1NCc1cc(Cl)c(F)cc1O ZINC001327868874 1103747944 /nfs/dbraw/zinc/74/79/44/1103747944.db2.gz OVPLHICKVHQQOO-UHFFFAOYSA-N 0 0 322.767 3.085 20 10 DGCDRN CC[C@@H]([NH2+]CCc1nc(C(C)C)no1)c1ccc(F)cc1[O-] ZINC001327888922 1103757672 /nfs/dbraw/zinc/75/76/72/1103757672.db2.gz GXQUKQHJFHAQJQ-CYBMUJFWSA-N 0 0 307.369 3.321 20 10 DGCDRN Cc1cc(Cl)ncc1-c1ccn(CC(F)(F)F)c(=O)c1 ZINC001244915836 1103759528 /nfs/dbraw/zinc/75/95/28/1103759528.db2.gz DINSVRGTVIEHDB-UHFFFAOYSA-N 0 0 302.683 3.434 20 10 DGCDRN COC(=O)c1cc2ccc(-c3cnc(F)c(OC)c3)cc2n1C ZINC001245074995 1103842804 /nfs/dbraw/zinc/84/28/04/1103842804.db2.gz FNNDHOIQEPDNIV-UHFFFAOYSA-N 0 0 314.316 3.175 20 10 DGCDRN Oc1cc(Br)ccc1CN1CC(CC(F)F)C1 ZINC001328207861 1103874098 /nfs/dbraw/zinc/87/40/98/1103874098.db2.gz DPKCIXIQEWVFTH-UHFFFAOYSA-N 0 0 306.150 3.242 20 10 DGCDRN Cn1ccc(-c2ccc(-c3cc(=O)n(C)c4ccccc34)cn2)n1 ZINC001245207485 1103912291 /nfs/dbraw/zinc/91/22/91/1103912291.db2.gz WGOPTSNZDPSJRB-UHFFFAOYSA-N 0 0 316.364 3.001 20 10 DGCDRN CC(=O)CCN(C)C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001328653294 1104011925 /nfs/dbraw/zinc/01/19/25/1104011925.db2.gz QJPSCLBNAWJEFX-UHFFFAOYSA-N 0 0 312.413 3.074 20 10 DGCDRN O=C(Nc1cc(F)ccc1F)N1CCc2cccc(O)c2C1 ZINC001202651176 1104100043 /nfs/dbraw/zinc/10/00/43/1104100043.db2.gz DYCJVZLCHFHCBK-UHFFFAOYSA-N 0 0 304.296 3.261 20 10 DGCDRN Cc1cc(C(=O)NCc2cc(C)ccc2O)c(C)n1CC1CC1 ZINC001329087617 1104147234 /nfs/dbraw/zinc/14/72/34/1104147234.db2.gz UUMDUJPQPPTEIR-UHFFFAOYSA-N 0 0 312.413 3.459 20 10 DGCDRN Cc1cc(C(=O)Nc2c3nonc3ccc2Cl)cc(Cl)n1 ZINC001329520789 1104296005 /nfs/dbraw/zinc/29/60/05/1104296005.db2.gz XXTYOKGRBJNTBD-UHFFFAOYSA-N 0 0 323.139 3.485 20 10 DGCDRN CN(C)c1cc(F)c(CN[C@H](C2CC2)C(F)(F)F)cc1F ZINC001329729713 1104372190 /nfs/dbraw/zinc/37/21/90/1104372190.db2.gz AHJVSYPUOJYVRL-CYBMUJFWSA-N 0 0 308.294 3.461 20 10 DGCDRN COc1cc2c(c(OC)c1)N(Cc1ccnc(F)c1)CCC2 ZINC001329824068 1104394145 /nfs/dbraw/zinc/39/41/45/1104394145.db2.gz DKAFLGKNNMFVKL-UHFFFAOYSA-N 0 0 302.349 3.191 20 10 DGCDRN CCOc1ccc(N2CCC[C@]23CCN([C@H](C)CC)C3=O)cc1 ZINC001274789964 1104490067 /nfs/dbraw/zinc/49/00/67/1104490067.db2.gz FINJZTFIUWTVHJ-DNVCBOLYSA-N 0 0 316.445 3.455 20 10 DGCDRN C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001275270967 1104698974 /nfs/dbraw/zinc/69/89/74/1104698974.db2.gz ICMZCHPDSUCIIC-YHWZYXNKSA-N 0 0 315.244 3.414 20 10 DGCDRN Fc1cccc(F)c1NC(=S)NCc1cc(Cl)ccn1 ZINC001247032989 1104782296 /nfs/dbraw/zinc/78/22/96/1104782296.db2.gz WKVKRIGJKDLDMG-UHFFFAOYSA-N 0 0 313.760 3.500 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2noc(Cc3c[nH]cn3)n2)cc1 ZINC001247137377 1104811034 /nfs/dbraw/zinc/81/10/34/1104811034.db2.gz GTYMDDNFLRXDAE-UHFFFAOYSA-N 0 0 319.368 3.458 20 10 DGCDRN Oc1ccc(Cc2nc(-c3ccc4occc4c3)no2)cc1O ZINC001247958932 1105021826 /nfs/dbraw/zinc/02/18/26/1105021826.db2.gz JWOXUUXGIIDXJU-UHFFFAOYSA-N 0 0 308.293 3.485 20 10 DGCDRN Nc1ccc(Cc2nc(-c3ncccc3C(F)(F)F)no2)cc1 ZINC001248184600 1105062498 /nfs/dbraw/zinc/06/24/98/1105062498.db2.gz ZYTDKEKBFYSCQB-UHFFFAOYSA-N 0 0 320.274 3.323 20 10 DGCDRN Cc1cc(F)c(-c2noc(Cc3ccc(N)cc3)n2)cc1F ZINC001248184602 1105062845 /nfs/dbraw/zinc/06/28/45/1105062845.db2.gz ZZZLTFFJLRZJNY-UHFFFAOYSA-N 0 0 301.296 3.496 20 10 DGCDRN CC(C)(C)c1cc(O)c(CN2CCC(=O)[C@@H](F)C2)cc1Cl ZINC001248883915 1105186394 /nfs/dbraw/zinc/18/63/94/1105186394.db2.gz RUHWJTOJBAJPGU-ZDUSSCGKSA-N 0 0 313.800 3.456 20 10 DGCDRN CC(C)[C@@H]1COCC[N@@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249252176 1105256830 /nfs/dbraw/zinc/25/68/30/1105256830.db2.gz HSAYQNUMXKPKCL-INIZCTEOSA-N 0 0 317.429 3.433 20 10 DGCDRN Nc1ccc(N(CCO)c2ccc3c(c2)C(=O)CCCC3)cc1 ZINC001249893861 1105399846 /nfs/dbraw/zinc/39/98/46/1105399846.db2.gz PVZXLNBQHHRQOQ-UHFFFAOYSA-N 0 0 310.397 3.308 20 10 DGCDRN CC(=O)[C@@H]1CCCN1Cc1cc(C)c(Br)cc1O ZINC001250135597 1105450839 /nfs/dbraw/zinc/45/08/39/1105450839.db2.gz GBKWFOLKKMYCAT-ZDUSSCGKSA-N 0 0 312.207 3.017 20 10 DGCDRN COc1cc2nc(-c3cc(O)c(O)c(O)c3)[nH]c2cc1Cl ZINC001251244457 1105643778 /nfs/dbraw/zinc/64/37/78/1105643778.db2.gz GJLHVPMOTCCOSY-UHFFFAOYSA-N 0 0 306.705 3.009 20 10 DGCDRN CCC[C@H](O)CNc1cccc2c1C(=O)c1ccccc1C2=O ZINC001252771818 1105828126 /nfs/dbraw/zinc/82/81/26/1105828126.db2.gz VLQCGTKAHKDAIQ-LBPRGKRZSA-N 0 0 309.365 3.035 20 10 DGCDRN CCOc1ccccc1NC[C@@H](O)CCOCc1ccccc1 ZINC001253281766 1105918556 /nfs/dbraw/zinc/91/85/56/1105918556.db2.gz RSCIJUHUQIMGTB-KRWDZBQOSA-N 0 0 315.413 3.465 20 10 DGCDRN Oc1ccc(-c2nnc(Cc3ccccc3)o2)c(Cl)c1O ZINC001253588890 1105961791 /nfs/dbraw/zinc/96/17/91/1105961791.db2.gz MAIKZXOWVQJOJJ-UHFFFAOYSA-N 0 0 302.717 3.392 20 10 DGCDRN OC[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001254010454 1106009149 /nfs/dbraw/zinc/00/91/49/1106009149.db2.gz GAGFVUVIEFXAEB-OAQYLSRUSA-N 0 0 322.452 3.379 20 10 DGCDRN CC(=O)c1cc(NS(=O)(=O)c2cc(C)ccc2C)ccc1O ZINC001254786376 1106141770 /nfs/dbraw/zinc/14/17/70/1106141770.db2.gz KRBRZIOSKLLFKU-UHFFFAOYSA-N 0 0 319.382 3.012 20 10 DGCDRN O=S(=O)(Nc1c(F)cc(O)cc1F)c1cccc(Cl)c1 ZINC001256804234 1106487218 /nfs/dbraw/zinc/48/72/18/1106487218.db2.gz NFZJMOZFQLZVLE-UHFFFAOYSA-N 0 0 319.716 3.125 20 10 DGCDRN c1ccn(-c2ccc(-c3nnc(-c4cnn5c4CCC5)o3)cc2)c1 ZINC001256946659 1106514565 /nfs/dbraw/zinc/51/45/65/1106514565.db2.gz GCAMXJBZZZYANF-UHFFFAOYSA-N 0 0 317.352 3.337 20 10 DGCDRN O[C@@H](c1nnc(-c2ccc(-n3cccc3)cc2)o1)C(F)(F)F ZINC001256961121 1106516221 /nfs/dbraw/zinc/51/62/21/1106516221.db2.gz LAHSJLBSNPAYMA-NSHDSACASA-N 0 0 309.247 3.123 20 10 DGCDRN Cc1cc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)ncn1 ZINC001256978353 1106519781 /nfs/dbraw/zinc/51/97/81/1106519781.db2.gz GTICKDYGLYHKFP-UHFFFAOYSA-N 0 0 303.325 3.293 20 10 DGCDRN OCc1cc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)ccn1 ZINC001256980995 1106520367 /nfs/dbraw/zinc/52/03/67/1106520367.db2.gz HCFMZBKEWQCBFH-UHFFFAOYSA-N 0 0 318.336 3.082 20 10 DGCDRN Cc1ccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)nn1 ZINC001256981794 1106520944 /nfs/dbraw/zinc/52/09/44/1106520944.db2.gz QEDPGTAOJGAJSY-UHFFFAOYSA-N 0 0 303.325 3.293 20 10 DGCDRN Oc1ccc(CCc2nnc(CCCc3ccccc3)o2)cc1O ZINC001257777183 1106628529 /nfs/dbraw/zinc/62/85/29/1106628529.db2.gz NGSDDNLLIZKTRP-UHFFFAOYSA-N 0 0 324.380 3.441 20 10 DGCDRN COc1cc(/C=C/c2nnc(CC(C)(C)C)o2)cc(O)c1O ZINC001257881427 1106639508 /nfs/dbraw/zinc/63/95/08/1106639508.db2.gz YCEAHOXDYJLIOQ-AATRIKPKSA-N 0 0 304.346 3.248 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001320031952 1106799040 /nfs/dbraw/zinc/79/90/40/1106799040.db2.gz UMVDVDYBMPFVOJ-NEFCLYRVSA-N 0 0 301.386 3.150 20 10 DGCDRN COc1cc(Br)cc(C[NH2+]C(C)(C)CF)c1O ZINC001320466642 1107013090 /nfs/dbraw/zinc/01/30/90/1107013090.db2.gz OGDVMFNUQKHDFV-UHFFFAOYSA-N 0 0 306.175 3.001 20 10 DGCDRN Cc1ccc(S(=O)(=O)Nc2c(C)cc(O)cc2C)cc1C ZINC001259168261 1107089886 /nfs/dbraw/zinc/08/98/86/1107089886.db2.gz UJXVPOMAFULZRX-UHFFFAOYSA-N 0 0 305.399 3.427 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1ccsc1C(F)(F)F ZINC001299574317 1107123027 /nfs/dbraw/zinc/12/30/27/1107123027.db2.gz PIDCDMJGOWVNTE-UHFFFAOYSA-N 0 0 317.288 3.108 20 10 DGCDRN CCN(Cc1ccccc1O)S(=O)(=O)c1cc(C)ccc1F ZINC001259635876 1107178837 /nfs/dbraw/zinc/17/88/37/1107178837.db2.gz FTAVVPVFVCJDLU-UHFFFAOYSA-N 0 0 323.389 3.051 20 10 DGCDRN Cc1cc(NS(=O)(=O)CCc2ccccc2F)c(C)cc1O ZINC001259786088 1107198267 /nfs/dbraw/zinc/19/82/67/1107198267.db2.gz XHUARYDVIINJMA-UHFFFAOYSA-N 0 0 323.389 3.133 20 10 DGCDRN C/C=C/C[C@H](NCc1ccc(N2CCCC2)cc1)C(=O)OCC ZINC001321148877 1107264891 /nfs/dbraw/zinc/26/48/91/1107264891.db2.gz ODSVVDOWVSGNEF-YZTRRJNXSA-N 0 0 316.445 3.274 20 10 DGCDRN Cc1cc(O)cc(C)c1NS(=O)(=O)Cc1ccccc1F ZINC001260627110 1107286254 /nfs/dbraw/zinc/28/62/54/1107286254.db2.gz BSESTGHMZWBNJF-UHFFFAOYSA-N 0 0 309.362 3.090 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[C@H](OC)C1 ZINC001321309244 1107318940 /nfs/dbraw/zinc/31/89/40/1107318940.db2.gz BYPBXYFXXVCCJV-HOTGVXAUSA-N 0 0 320.433 3.271 20 10 DGCDRN COc1cc(O)c(CNc2cnc3[nH]ccc3c2C)cc1OC ZINC001474758064 1107353718 /nfs/dbraw/zinc/35/37/18/1107353718.db2.gz BJRLGHVLXYQZKZ-UHFFFAOYSA-N 0 0 313.357 3.158 20 10 DGCDRN COc1ccc(C[C@H](C)N(C)C(=O)Nc2ccc(N)cc2)cc1 ZINC001261371824 1107420022 /nfs/dbraw/zinc/42/00/22/1107420022.db2.gz ARGYDHMZGGZTQS-ZDUSSCGKSA-N 0 0 313.401 3.372 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC001261377029 1107424490 /nfs/dbraw/zinc/42/44/90/1107424490.db2.gz GEXAFTDNHBNLQK-HOTGVXAUSA-N 0 0 301.434 3.033 20 10 DGCDRN CC1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001261655230 1107494554 /nfs/dbraw/zinc/49/45/54/1107494554.db2.gz PXBDGQNQOGNBPG-LQDVMPOASA-N 0 0 319.424 3.364 20 10 DGCDRN O=C(CCc1nc2ccccc2s1)NCc1ccccc1O ZINC001322188490 1107560732 /nfs/dbraw/zinc/56/07/32/1107560732.db2.gz XNNFAWLMQKDSGP-UHFFFAOYSA-N 0 0 312.394 3.251 20 10 DGCDRN CS[C@@H]1CCC[C@@H](NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC001261962149 1107563801 /nfs/dbraw/zinc/56/38/01/1107563801.db2.gz MTRMBTXLAUSBAL-CHWSQXEVSA-N 0 0 306.431 3.092 20 10 DGCDRN CC[C@@H](NC(=O)NCc1cc(C)ccc1O)c1nccs1 ZINC001261963851 1107565215 /nfs/dbraw/zinc/56/52/15/1107565215.db2.gz ZUUCYAUVTAVJQR-GFCCVEGCSA-N 0 0 305.403 3.108 20 10 DGCDRN CC(=O)C1(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 ZINC001262178397 1107639572 /nfs/dbraw/zinc/63/95/72/1107639572.db2.gz AKXWODLSFQARND-UHFFFAOYSA-N 0 0 314.360 3.085 20 10 DGCDRN CC(C)(C)c1ccc(NC(=O)N2Cc3cccc(O)c3C2)nn1 ZINC001262280581 1107668998 /nfs/dbraw/zinc/66/89/98/1107668998.db2.gz CJSWYLUVOOGTKO-UHFFFAOYSA-N 0 0 312.373 3.027 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001262350495 1107683689 /nfs/dbraw/zinc/68/36/89/1107683689.db2.gz VJPSSVLWSGCEIZ-IEBDPFPHSA-N 0 0 315.747 3.343 20 10 DGCDRN CCc1ncoc1C(=O)NCc1ccc(N(CC)CC)cc1 ZINC001262603556 1107735509 /nfs/dbraw/zinc/73/55/09/1107735509.db2.gz MSABKABWQWZNPZ-UHFFFAOYSA-N 0 0 301.390 3.013 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)C(C)(C)CC)CC2)cc1 ZINC001322870380 1107772264 /nfs/dbraw/zinc/77/22/64/1107772264.db2.gz VAYXPYALLOXKOB-UHFFFAOYSA-N 0 0 304.434 3.170 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@@H]1CCOC1 ZINC001318043575 1107806699 /nfs/dbraw/zinc/80/66/99/1107806699.db2.gz YIAUEUFCIQOYGD-INIZCTEOSA-N 0 0 312.413 3.169 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001263010824 1107903998 /nfs/dbraw/zinc/90/39/98/1107903998.db2.gz JIPBPNTZPALOBK-VHSXEESVSA-N 0 0 324.475 3.062 20 10 DGCDRN CCN(CC)c1ccc(CNC(=S)NCC2CCC2)cc1 ZINC001318380557 1107970472 /nfs/dbraw/zinc/97/04/72/1107970472.db2.gz YLVXFKORDYQTIE-UHFFFAOYSA-N 0 0 305.491 3.297 20 10 DGCDRN O=C(NCc1ccccc1O)NC[C@H]1C[C@@H]1Cc1ccccc1 ZINC001263285456 1107997871 /nfs/dbraw/zinc/99/78/71/1107997871.db2.gz HMQKXPVBHDBNGW-DLBZAZTESA-N 0 0 310.397 3.070 20 10 DGCDRN C[C@H](Nc1cnn(Cc2cccnc2)c1)c1cc(F)ccc1O ZINC001323830745 1108098303 /nfs/dbraw/zinc/09/83/03/1108098303.db2.gz SSHNTSPGBNUCKO-LBPRGKRZSA-N 0 0 312.348 3.344 20 10 DGCDRN C[C@@H](Nc1ccc(CCC(N)=O)cc1)c1cc(F)cc(F)c1O ZINC001323829455 1108098402 /nfs/dbraw/zinc/09/84/02/1108098402.db2.gz JIJZRCLHUBFMPJ-SNVBAGLBSA-N 0 0 320.339 3.261 20 10 DGCDRN C[C@@H](C(=O)N(C)Cc1ccccc1O)c1ccc(F)cc1F ZINC001318895015 1108230441 /nfs/dbraw/zinc/23/04/41/1108230441.db2.gz VYHZFVYNUJJBDR-LLVKDONJSA-N 0 0 305.324 3.433 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)CC2(C(F)(F)F)CC2)c1 ZINC001324315313 1108247415 /nfs/dbraw/zinc/24/74/15/1108247415.db2.gz CCTYIBHIQJRUBQ-VIFPVBQESA-N 0 0 317.307 3.311 20 10 DGCDRN O=[N+]([O-])c1cccc(NNC(=S)Nc2cccc(F)c2F)c1 ZINC001324368053 1108266625 /nfs/dbraw/zinc/26/66/25/1108266625.db2.gz MJWYTTFVFHTMIL-UHFFFAOYSA-N 0 0 324.312 3.187 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)C[C@@H](C)C3CC3)CC2)cc1 ZINC001324627424 1108383048 /nfs/dbraw/zinc/38/30/48/1108383048.db2.gz RSUSSZRETVRGOX-OAHLLOKOSA-N 0 0 316.445 3.170 20 10 DGCDRN Cc1cc(C(=O)N2CC[C@@H](F)C2)c(C)n1-c1ccc(F)cc1 ZINC001324679129 1108420210 /nfs/dbraw/zinc/42/02/10/1108420210.db2.gz SZXJREWPHATWEQ-CQSZACIVSA-N 0 0 304.340 3.417 20 10 DGCDRN Cc1cc(CC(=O)Nc2nncs2)c(C)n1-c1ccccc1 ZINC001264294879 1108455858 /nfs/dbraw/zinc/45/58/58/1108455858.db2.gz KCNKONGVJWHQHT-UHFFFAOYSA-N 0 0 312.398 3.127 20 10 DGCDRN O=C(Cc1cccc(F)c1)Nc1c2nonc2ccc1Cl ZINC001324856761 1108488317 /nfs/dbraw/zinc/48/83/17/1108488317.db2.gz DXPFYCPRVNCQFN-UHFFFAOYSA-N 0 0 305.696 3.197 20 10 DGCDRN Cc1cc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc(C)n1 ZINC001319643054 1108571562 /nfs/dbraw/zinc/57/15/62/1108571562.db2.gz PMVUKBZGBBKODI-UHFFFAOYSA-N 0 0 324.428 3.042 20 10 DGCDRN Cc1cc(CNC(=O)c2ccc(C)nn2)c(C)n1-c1ccccc1 ZINC001287660332 1110128543 /nfs/dbraw/zinc/12/85/43/1110128543.db2.gz HOOOCEXXUUWYSO-UHFFFAOYSA-N 0 0 320.396 3.123 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H](C2CCCCC2)C1 ZINC001301408888 1111091025 /nfs/dbraw/zinc/09/10/25/1111091025.db2.gz YTPPMLJKNQIOKL-MRXNPFEDSA-N 0 0 317.429 3.459 20 10 DGCDRN Cn1ncc(NCc2c(O)cccc2Br)c1C1CC1 ZINC001336754505 1111098792 /nfs/dbraw/zinc/09/87/92/1111098792.db2.gz IMKOLFZUKLRLAH-UHFFFAOYSA-N 0 0 322.206 3.378 20 10 DGCDRN Cc1cc(F)cc(C(=O)N[C@H](C)c2ccccc2O)c1[N+](=O)[O-] ZINC001302530106 1111117044 /nfs/dbraw/zinc/11/70/44/1111117044.db2.gz ABVDGGOOTDOTBE-SNVBAGLBSA-N 0 0 318.304 3.239 20 10 DGCDRN C[C@H](NC(=O)c1ccc2[nH]cc(C=O)c2c1)c1ccccc1O ZINC001302538459 1111118014 /nfs/dbraw/zinc/11/80/14/1111118014.db2.gz RTRXTHVKHVPKRZ-NSHDSACASA-N 0 0 308.337 3.177 20 10 DGCDRN COc1cc(Cl)cc(C(=O)N2Cc3cccc(O)c3C2)c1 ZINC001302788421 1111125273 /nfs/dbraw/zinc/12/52/73/1111125273.db2.gz VTCDEXUIHDRFHH-UHFFFAOYSA-N 0 0 303.745 3.210 20 10 DGCDRN Cc1c2cccc(C)c2oc1C(=O)NCc1cccc(O)c1O ZINC001303193592 1111136624 /nfs/dbraw/zinc/13/66/24/1111136624.db2.gz ORALSIMJCVLZQQ-UHFFFAOYSA-N 0 0 311.337 3.391 20 10 DGCDRN Cc1ccc(CCCCC(=O)NCc2cc(O)ccc2O)cc1 ZINC001303223565 1111137506 /nfs/dbraw/zinc/13/75/06/1111137506.db2.gz VKJZUNSSNBHYCI-UHFFFAOYSA-N 0 0 313.397 3.435 20 10 DGCDRN Cc1ccc2nc(C(=O)NCc3c(O)cccc3F)ccc2c1 ZINC001303875211 1111156658 /nfs/dbraw/zinc/15/66/58/1111156658.db2.gz CYUYGJFLMKEQGI-UHFFFAOYSA-N 0 0 310.328 3.318 20 10 DGCDRN C[C@@H](C(=O)NCc1c(O)cccc1O)c1cn(C)c2ccccc12 ZINC001304053478 1111164077 /nfs/dbraw/zinc/16/40/77/1111164077.db2.gz LWCFFCLPCAXNBZ-GFCCVEGCSA-N 0 0 324.380 3.009 20 10 DGCDRN CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NCc1c(O)cccc1O ZINC001304053460 1111164102 /nfs/dbraw/zinc/16/41/02/1111164102.db2.gz LOBGSPHTZKWDKV-AHIWAGSCSA-N 0 0 321.417 3.088 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1cc2c([nH]1)CCCC2 ZINC001305085176 1111192945 /nfs/dbraw/zinc/19/29/45/1111192945.db2.gz RGXVOUYCWOLADK-UHFFFAOYSA-N 0 0 304.777 3.183 20 10 DGCDRN O=[N+]([O-])c1cnc2ccccc2c1N1Cc2cccc(O)c2C1 ZINC001307192879 1111277486 /nfs/dbraw/zinc/27/74/86/1111277486.db2.gz LLXNEJTWQGJJQK-UHFFFAOYSA-N 0 0 307.309 3.369 20 10 DGCDRN CN(Cc1ccc(F)cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001307585464 1111316807 /nfs/dbraw/zinc/31/68/07/1111316807.db2.gz MPFILOHDNSYVIB-UHFFFAOYSA-N 0 0 304.277 3.099 20 10 DGCDRN COc1ccc(N(C)CC(=O)Nc2cccc(Cl)c2)cc1 ZINC001307903936 1111354269 /nfs/dbraw/zinc/35/42/69/1111354269.db2.gz ABSVLNKCOCBNMF-UHFFFAOYSA-N 0 0 304.777 3.424 20 10 DGCDRN Cc1cnc([C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C2CC2)s1 ZINC001308291356 1111412292 /nfs/dbraw/zinc/41/22/92/1111412292.db2.gz XSYPOBYBWPHUOD-CQSZACIVSA-N 0 0 319.386 3.306 20 10 DGCDRN CC[C@@H](NC/C=C\c1ccc(N(C)C)cc1)c1noc(C)n1 ZINC001308304414 1111414314 /nfs/dbraw/zinc/41/43/14/1111414314.db2.gz ZCTAFRWEYIPFPK-MWWKQMNYSA-N 0 0 300.406 3.198 20 10 DGCDRN CCOC(OCC)[C@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001308558275 1111443994 /nfs/dbraw/zinc/44/39/94/1111443994.db2.gz HLCKJYYNXWKFFY-VIFPVBQESA-N 0 0 305.777 3.062 20 10 DGCDRN CN(Cc1cc(F)c(F)cc1O)Cc1ccccc1[N+](=O)[O-] ZINC001308587175 1111447424 /nfs/dbraw/zinc/44/74/24/1111447424.db2.gz DLYHSVCUKCFWCZ-UHFFFAOYSA-N 0 0 308.284 3.211 20 10 DGCDRN C[C@H]1CN(Cc2ccc(Cl)cc2O)CCN1CC(F)(F)F ZINC001308607836 1111449936 /nfs/dbraw/zinc/44/99/36/1111449936.db2.gz PMDWXHKDLZOBCA-JTQLQIEISA-N 0 0 322.758 3.114 20 10 DGCDRN Oc1c(F)cc(F)cc1CNc1c[nH]nc1-c1ccccn1 ZINC001308658161 1111457014 /nfs/dbraw/zinc/45/70/14/1111457014.db2.gz YDNCLIOHTBCYPH-UHFFFAOYSA-N 0 0 302.284 3.068 20 10 DGCDRN O=C1CC[C@@H](c2ccccc2NCc2cc(F)ccc2O)N1 ZINC001308923344 1111494594 /nfs/dbraw/zinc/49/45/94/1111494594.db2.gz UIJJREXLMJUQHM-HNNXBMFYSA-N 0 0 300.333 3.095 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(F)c(F)cc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC001308936067 1111496631 /nfs/dbraw/zinc/49/66/31/1111496631.db2.gz LMLWVCYVSYSEOD-SECBINFHSA-N 0 0 308.284 3.429 20 10 DGCDRN Cc1cc(CNC(=O)Nc2ccnn2C)c(C)n1-c1ccccc1 ZINC001310532964 1111562745 /nfs/dbraw/zinc/56/27/45/1111562745.db2.gz NXSPFCXQUGUSSB-UHFFFAOYSA-N 0 0 323.400 3.149 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)Nc1ccnc(F)c1F ZINC001311017404 1111579287 /nfs/dbraw/zinc/57/92/87/1111579287.db2.gz ZZCYZASBERKODC-UHFFFAOYSA-N 0 0 313.691 3.041 20 10 DGCDRN CN(C)c1ccc(NC(=O)NCc2c(O)cccc2F)cc1F ZINC001311138328 1111585836 /nfs/dbraw/zinc/58/58/36/1111585836.db2.gz TURRWYUUBYLCQS-UHFFFAOYSA-N 0 0 321.327 3.058 20 10 DGCDRN O=C(NCc1ccc(F)c(Cl)c1)N1Cc2cccc(O)c2C1 ZINC001311797877 1111620408 /nfs/dbraw/zinc/62/04/08/1111620408.db2.gz VBYXQKYEBBMSRH-UHFFFAOYSA-N 0 0 320.751 3.410 20 10 DGCDRN CC(C)OC1(CNC(=O)NCc2ccccc2O)CCCCC1 ZINC001312235348 1111643357 /nfs/dbraw/zinc/64/33/57/1111643357.db2.gz YVFLWJCLVGETBP-UHFFFAOYSA-N 0 0 320.433 3.319 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1CC=CC[C@H]1C)c1ccc(N(C)C)cc1 ZINC001312534693 1111659058 /nfs/dbraw/zinc/65/90/58/1111659058.db2.gz GTKQJSSWFRIPKO-JKIFEVAISA-N 0 0 301.434 3.468 20 10 DGCDRN Cc1ccc(F)c(CCNC(=O)NCc2c(O)cccc2F)c1 ZINC001312705145 1111667907 /nfs/dbraw/zinc/66/79/07/1111667907.db2.gz ITKNGRQQWNZLIF-UHFFFAOYSA-N 0 0 320.339 3.021 20 10 DGCDRN CC[C@H](NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)C1CC1 ZINC001312884991 1111679835 /nfs/dbraw/zinc/67/98/35/1111679835.db2.gz LGABQJUVNKWVAK-KDOFPFPSSA-N 0 0 317.477 3.480 20 10 DGCDRN O=C(c1ccccc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000078917817 185129188 /nfs/dbraw/zinc/12/91/88/185129188.db2.gz NGLOHARRFISSCH-QGZVFWFLSA-N 0 0 311.381 3.214 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2ccncc2Cl)cc1 ZINC000073847529 529779947 /nfs/dbraw/zinc/77/99/47/529779947.db2.gz BMQAJCBFTVGIPD-UHFFFAOYSA-N 0 0 303.793 3.073 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CC(C)(C)C1CC1 ZINC000341364957 529785964 /nfs/dbraw/zinc/78/59/64/529785964.db2.gz NBCOIVGASCFWEJ-UHFFFAOYSA-N 0 0 302.418 3.304 20 10 DGCDRN CNC(=O)c1ccc(NCc2c(C)c3ccccc3n2C)cc1 ZINC000336871568 529942629 /nfs/dbraw/zinc/94/26/29/529942629.db2.gz GUGFBNNFLVGRHI-UHFFFAOYSA-N 0 0 307.397 3.458 20 10 DGCDRN CN(Cc1ccccc1O)c1ccnc(Cc2ccccc2)n1 ZINC000167356457 530003734 /nfs/dbraw/zinc/00/37/34/530003734.db2.gz BLVBFHGFCWLYPD-UHFFFAOYSA-N 0 0 305.381 3.409 20 10 DGCDRN CC[C@@H](CC(=O)NCc1ccc(N2CCOCC2)cc1)C(C)C ZINC000104316178 432016114 /nfs/dbraw/zinc/01/61/14/432016114.db2.gz WVOASFAJPJJNEF-KRWDZBQOSA-N 0 0 318.461 3.212 20 10 DGCDRN CC(C)Oc1cccc([C@H](C)NC(=O)Cc2ccc(N)cc2)c1 ZINC000236774015 202003143 /nfs/dbraw/zinc/00/31/43/202003143.db2.gz YKNDBHMFPBRBCS-AWEZNQCLSA-N 0 0 312.413 3.476 20 10 DGCDRN Cc1cc(C)cc(CCNC(=O)N(C)Cc2ccccc2O)c1 ZINC000077874445 191788533 /nfs/dbraw/zinc/78/85/33/191788533.db2.gz SKLPCKMMNITGAG-UHFFFAOYSA-N 0 0 312.413 3.393 20 10 DGCDRN COc1ccc(CC[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1OC ZINC000170788735 432081456 /nfs/dbraw/zinc/08/14/56/432081456.db2.gz ZHGROXIAZHGACU-LBPRGKRZSA-N 0 0 319.376 3.442 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])c1ncnn1C ZINC000278387451 299344920 /nfs/dbraw/zinc/34/49/20/299344920.db2.gz DKYPTLCKWUYJIG-YUMQZZPRSA-N 0 0 315.204 3.239 20 10 DGCDRN CCC[C@@H](CNC(=O)NCc1c(C)c2ccccc2n1C)OC ZINC000454877473 242053895 /nfs/dbraw/zinc/05/38/95/242053895.db2.gz QUWXCFLWNYRGDQ-AWEZNQCLSA-N 0 0 317.433 3.101 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc(F)c(F)c1[O-] ZINC000276972981 296129781 /nfs/dbraw/zinc/12/97/81/296129781.db2.gz ULSZQIZZWAPDOX-GHMZBOCLSA-N 0 0 313.344 3.007 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc(F)c(F)c1[O-] ZINC000191193824 296132128 /nfs/dbraw/zinc/13/21/28/296132128.db2.gz TXGCWQURTGLOLX-OTYXRUKQSA-N 0 0 311.303 3.194 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC1CCSCC1 ZINC000471820987 244254766 /nfs/dbraw/zinc/25/47/66/244254766.db2.gz OZOQWCBFBUGGCU-UHFFFAOYSA-N 0 0 317.458 3.182 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@](C)(F)C1 ZINC000472220734 244289209 /nfs/dbraw/zinc/28/92/09/244289209.db2.gz JJKYRNKROXPVDD-KRWDZBQOSA-N 0 0 303.381 3.130 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC(F)(F)C1 ZINC000472227058 244291058 /nfs/dbraw/zinc/29/10/58/244291058.db2.gz UXPUJJQGDILXAE-UHFFFAOYSA-N 0 0 307.344 3.037 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1nncn1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278664984 296152632 /nfs/dbraw/zinc/15/26/32/296152632.db2.gz IXRGPURGAWVBAL-SFYZADRCSA-N 0 0 315.204 3.239 20 10 DGCDRN C[C@H]([NH2+][C@H]1COc2ccccc2C1)c1ccc(F)c(F)c1[O-] ZINC000187676340 299428298 /nfs/dbraw/zinc/42/82/98/299428298.db2.gz NOYCHGZSLQLJHW-CMPLNLGQSA-N 0 0 305.324 3.325 20 10 DGCDRN O=C(/C=C\c1cnccn1)N(Cc1ccccc1)c1ccccn1 ZINC000491186971 245473388 /nfs/dbraw/zinc/47/33/88/245473388.db2.gz QPQZVNFDVGHHOT-KTKRTIGZSA-N 0 0 316.364 3.118 20 10 DGCDRN COc1cc(OC)cc(N(C)C(=O)/C=C\c2cnccc2C)c1 ZINC000492030493 245616588 /nfs/dbraw/zinc/61/65/88/245616588.db2.gz JJTGUXJVGFUIIK-WAYWQWQTSA-N 0 0 312.369 3.083 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C\c2cnccc2C)c(OC)c1 ZINC000492452966 245710323 /nfs/dbraw/zinc/71/03/23/245710323.db2.gz CSEBHQVQOKQPQK-YVMONPNESA-N 0 0 312.369 3.083 20 10 DGCDRN Cc1ncsc1/C=C/C(=O)N1CCOCc2ccccc21 ZINC000492763174 245788351 /nfs/dbraw/zinc/78/83/51/245788351.db2.gz NTRIWPRUSFHNJA-VOTSOKGWSA-N 0 0 300.383 3.028 20 10 DGCDRN Cc1cc(C(=O)NC[C@@H](C)CCO)c(C)n1-c1cccc(C)c1 ZINC000268900439 432146619 /nfs/dbraw/zinc/14/66/19/432146619.db2.gz UEVYRGRUSJLDDJ-AWEZNQCLSA-N 0 0 314.429 3.151 20 10 DGCDRN CC[C@H](NC(=O)N(C)Cc1ccccc1O)c1nc(C)cs1 ZINC000105306283 194096079 /nfs/dbraw/zinc/09/60/79/194096079.db2.gz DLXURERNXBIIRK-ZDUSSCGKSA-N 0 0 319.430 3.450 20 10 DGCDRN C[C@@H](NCc1ccccc1O)c1nc(-c2cccc(F)c2)no1 ZINC000174668197 533459310 /nfs/dbraw/zinc/45/93/10/533459310.db2.gz RGQIFYAQXUTOIE-LLVKDONJSA-N 0 0 313.332 3.432 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)c1[O-] ZINC000273049015 130085707 /nfs/dbraw/zinc/08/57/07/130085707.db2.gz JZDIGYHKSYAKJN-IRXDYDNUSA-N 0 0 323.820 3.295 20 10 DGCDRN Cc1cc(C(=O)NCc2cn(C)nc2C)c(C)n1-c1ccccc1 ZINC000273136749 130091595 /nfs/dbraw/zinc/09/15/95/130091595.db2.gz CFEUVKMQDGXKOO-UHFFFAOYSA-N 0 0 322.412 3.066 20 10 DGCDRN COc1ccc(OC)c(C[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000273412823 130118945 /nfs/dbraw/zinc/11/89/45/130118945.db2.gz QDWXNNBCTVRHFZ-LLVKDONJSA-N 0 0 305.349 3.399 20 10 DGCDRN COc1ccc(O)c([C@@H](C)Nc2ccc(CNC(C)=O)cc2)c1 ZINC000273440109 130121874 /nfs/dbraw/zinc/12/18/74/130121874.db2.gz MTTWORLIOTYELR-GFCCVEGCSA-N 0 0 314.385 3.210 20 10 DGCDRN COC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000273447795 130123887 /nfs/dbraw/zinc/12/38/87/130123887.db2.gz FLNOIHAAEABZBF-WBMJQRKESA-N 0 0 316.357 3.339 20 10 DGCDRN C[C@H]([NH2+]CCCc1nccs1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273449201 130124477 /nfs/dbraw/zinc/12/44/77/130124477.db2.gz FPIXIKKEESZRNO-JTQLQIEISA-N 0 0 307.375 3.040 20 10 DGCDRN Cc1ccc([C@H](C)Nc2ccc(OCC(N)=O)cc2)c(O)c1C ZINC000273484319 130126073 /nfs/dbraw/zinc/12/60/73/130126073.db2.gz MWPJKKRFWMEZQO-ZDUSSCGKSA-N 0 0 314.385 3.046 20 10 DGCDRN CCc1noc(CC)c1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273604014 130144325 /nfs/dbraw/zinc/14/43/25/130144325.db2.gz SODYCJPMUAYXSF-SNVBAGLBSA-N 0 0 319.361 3.264 20 10 DGCDRN CC[C@H](Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccccc1O ZINC000274799399 130262349 /nfs/dbraw/zinc/26/23/49/130262349.db2.gz URMPZYJYPDVMBH-AWEZNQCLSA-N 0 0 311.385 3.146 20 10 DGCDRN CC[C@@H](C)[C@H]1NC(=O)N(c2cc(Cl)c(N)c(Cl)c2)C1=O ZINC000278157889 130667983 /nfs/dbraw/zinc/66/79/83/130667983.db2.gz OZRZMTVOHMZJJW-KSBSHMNSSA-N 0 0 316.188 3.047 20 10 DGCDRN CN(C)c1ccc(CN(C2CC2)S(=O)(=O)CC(C)(C)C)cc1 ZINC000282184727 130905424 /nfs/dbraw/zinc/90/54/24/130905424.db2.gz NJTDIESELJSMTD-UHFFFAOYSA-N 0 0 324.490 3.093 20 10 DGCDRN CN(C)c1ccc(CNc2ccc(OCCCO)cc2)cc1F ZINC000285391895 131163131 /nfs/dbraw/zinc/16/31/31/131163131.db2.gz DGYPENJQHNIWOP-UHFFFAOYSA-N 0 0 318.392 3.265 20 10 DGCDRN CC[C@H]([NH2+]CCCn1nc(C)cc1C)c1ccc(F)cc1[O-] ZINC000285494248 131174497 /nfs/dbraw/zinc/17/44/97/131174497.db2.gz CFHFOUKCWAIAPP-INIZCTEOSA-N 0 0 305.397 3.476 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)c2nnc(C)[nH]2)cc1 ZINC000286212572 131224705 /nfs/dbraw/zinc/22/47/05/131224705.db2.gz BPIABKGMKNZJIT-CYBMUJFWSA-N 0 0 323.400 3.012 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cnn(CCOC)c1)c1cccc(Cl)c1[O-] ZINC000286988568 131259236 /nfs/dbraw/zinc/25/92/36/131259236.db2.gz JLQKAFKQSPKKOF-OAHLLOKOSA-N 0 0 323.824 3.129 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNc1nnc([C@@H]2CCCO2)o1 ZINC000287703516 131295134 /nfs/dbraw/zinc/29/51/34/131295134.db2.gz MZHBGYQFWPURAK-HNNXBMFYSA-N 0 0 312.373 3.333 20 10 DGCDRN CC[C@@H]([NH2+][C@H](C)CN1CCCC1=O)c1cccc(Cl)c1[O-] ZINC000287847332 131303168 /nfs/dbraw/zinc/30/31/68/131303168.db2.gz WOVZGFHVUPUFOE-BXUZGUMPSA-N 0 0 310.825 3.097 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cnn(CCF)c1 ZINC000287859223 131304192 /nfs/dbraw/zinc/30/41/92/131304192.db2.gz MNYPRMJLJLXCJU-UHFFFAOYSA-N 0 0 319.380 3.001 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ocnc2C2CC2)cc1 ZINC000288917041 131344911 /nfs/dbraw/zinc/34/49/11/131344911.db2.gz RTOHKAYPBSQJEN-UHFFFAOYSA-N 0 0 313.401 3.328 20 10 DGCDRN Cc1nsc(C)c1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000292258477 131636900 /nfs/dbraw/zinc/63/69/00/131636900.db2.gz MWPVTDUVKDKYMO-UHFFFAOYSA-N 0 0 303.431 3.098 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCCC1(F)F ZINC000297563333 132022880 /nfs/dbraw/zinc/02/28/80/132022880.db2.gz KPVXHHKTKGSHEM-ZDUSSCGKSA-N 0 0 312.360 3.359 20 10 DGCDRN Cc1cc(C(=O)Nc2c(C)nn(C)c2C)c(C)n1-c1ccccn1 ZINC000298349861 132057658 /nfs/dbraw/zinc/05/76/58/132057658.db2.gz SYYMMFUJPWLBIV-UHFFFAOYSA-N 0 0 323.400 3.092 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)NCc2ccco2)C2CC2)cc1 ZINC000298846433 132079355 /nfs/dbraw/zinc/07/93/55/132079355.db2.gz IHGIDDPVROPVTN-UHFFFAOYSA-N 0 0 313.401 3.220 20 10 DGCDRN CCCC[C@H](CC)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000299137333 132090460 /nfs/dbraw/zinc/09/04/60/132090460.db2.gz NNOXYGXZNVSVNP-KRWDZBQOSA-N 0 0 318.461 3.356 20 10 DGCDRN Cc1cc(C(=O)NC[C@H]2CCCOC2)c(C)n1-c1ccccc1 ZINC000299171592 132092940 /nfs/dbraw/zinc/09/29/40/132092940.db2.gz VWJCWFUOMJHWHO-MRXNPFEDSA-N 0 0 312.413 3.251 20 10 DGCDRN CCN(CC(=O)Nc1ccccc1)c1ccc(OC)c(OC)c1 ZINC000299253128 132094636 /nfs/dbraw/zinc/09/46/36/132094636.db2.gz CBFGBPNAHMDZHO-UHFFFAOYSA-N 0 0 314.385 3.169 20 10 DGCDRN CN(C)c1cc(C(F)(F)F)nc(Sc2nccs2)n1 ZINC000301093909 132136452 /nfs/dbraw/zinc/13/64/52/132136452.db2.gz PCJYEHAMTCMZIA-UHFFFAOYSA-N 0 0 306.338 3.169 20 10 DGCDRN CCOc1cc(F)ccc1NCc1cc2c(cc1O)OCO2 ZINC000120134936 132139039 /nfs/dbraw/zinc/13/90/39/132139039.db2.gz XCZDASUUZBBRSY-UHFFFAOYSA-N 0 0 305.305 3.271 20 10 DGCDRN Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)C[C@@H]2C)c(O)c1O ZINC000182452993 292067656 /nfs/dbraw/zinc/06/76/56/292067656.db2.gz ZPJFBVKAUSVANG-ZFWWWQNUSA-N 0 0 311.381 3.424 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(C)(O)CC1 ZINC000177793335 292089029 /nfs/dbraw/zinc/08/90/29/292089029.db2.gz AIOGQDIGDZXKDP-UHFFFAOYSA-N 0 0 318.442 3.143 20 10 DGCDRN O=S(=O)(NCc1ccc(N2CCCC2)cc1)C1CCCCC1 ZINC000066575551 400100013 /nfs/dbraw/zinc/10/00/13/400100013.db2.gz XIATZTYNDIZOFZ-UHFFFAOYSA-N 0 0 322.474 3.039 20 10 DGCDRN Cc1ccc(C(=O)CCC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000015134667 400160352 /nfs/dbraw/zinc/16/03/52/400160352.db2.gz YWZGMNGQBPALNZ-UHFFFAOYSA-N 0 0 324.424 3.340 20 10 DGCDRN COc1ccc(O)c([C@@H](C)Nc2ncc(Br)cn2)c1 ZINC000067371997 400166105 /nfs/dbraw/zinc/16/61/05/400166105.db2.gz XDBWGSCCYSWBKZ-MRVPVSSYSA-N 0 0 324.178 3.126 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCc3ccccc3C2)cc1 ZINC000031726376 400352700 /nfs/dbraw/zinc/35/27/00/400352700.db2.gz AUYSJQUVTDXSKQ-UHFFFAOYSA-N 0 0 309.413 3.021 20 10 DGCDRN CC[C@@H]1CCCC[C@H]1NC(=O)NCc1cccc(OC)c1O ZINC000073748199 400467252 /nfs/dbraw/zinc/46/72/52/400467252.db2.gz CQTMCFSEBVSMJE-TZMCWYRMSA-N 0 0 306.406 3.169 20 10 DGCDRN CN(Cc1ccco1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000046983952 400591004 /nfs/dbraw/zinc/59/10/04/400591004.db2.gz XLUSCDCWSMAACJ-UHFFFAOYSA-N 0 0 313.401 3.221 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCOc3ccccc32)cc1 ZINC000076841543 400675957 /nfs/dbraw/zinc/67/59/57/400675957.db2.gz PQQRAOUCVAMFKI-GOSISDBHSA-N 0 0 324.424 3.277 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NC1CC(c2ccccc2)C1 ZINC000077533752 400724070 /nfs/dbraw/zinc/72/40/70/400724070.db2.gz POOXENIPAAKWQM-UHFFFAOYSA-N 0 0 310.397 3.480 20 10 DGCDRN CCc1nc(CN(C)Cc2ccc(N3CCCCC3)cc2)no1 ZINC000054316049 400819715 /nfs/dbraw/zinc/81/97/15/400819715.db2.gz BEDYECFHEXINBZ-UHFFFAOYSA-N 0 0 314.433 3.254 20 10 DGCDRN CC(C)=CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000055530409 400875881 /nfs/dbraw/zinc/87/58/81/400875881.db2.gz PWFHZTPOSSSQCJ-OKILXGFUSA-N 0 0 320.408 3.022 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N(C)C2Cc3ccccc3C2)cc1 ZINC000056514931 400932030 /nfs/dbraw/zinc/93/20/30/400932030.db2.gz UCHSMELDRLJLSM-UHFFFAOYSA-N 0 0 323.440 3.061 20 10 DGCDRN C[C@H]1CN(C(=O)c2cn(C)nc2-c2cccnc2)c2ccccc21 ZINC000065868035 401282881 /nfs/dbraw/zinc/28/28/81/401282881.db2.gz MBZMXOQABWNNOG-ZDUSSCGKSA-N 0 0 318.380 3.246 20 10 DGCDRN CCN(Cc1cc(Br)ccc1O)c1cc(C)ncn1 ZINC000089602651 401229996 /nfs/dbraw/zinc/22/99/96/401229996.db2.gz HVBQFAWKUJWUTR-UHFFFAOYSA-N 0 0 322.206 3.280 20 10 DGCDRN C[C@H](Nc1cncc(Cl)n1)c1ccc(N2CCOCC2)cc1 ZINC000065280504 401261975 /nfs/dbraw/zinc/26/19/75/401261975.db2.gz LCRZZMVMYUSRKV-LBPRGKRZSA-N 0 0 318.808 3.140 20 10 DGCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2C[C@@H]3C[C@@H]3C2)CCCC1 ZINC000628520385 401611111 /nfs/dbraw/zinc/61/11/11/401611111.db2.gz ONKXVWBCQBLHGG-OKILXGFUSA-N 0 0 324.424 3.007 20 10 DGCDRN O=C(NCC1=CCCC1)NCc1c(O)ccc2c1CCCC2 ZINC000852634393 620636185 /nfs/dbraw/zinc/63/61/85/620636185.db2.gz MWLARVUKBLPNFR-UHFFFAOYSA-N 0 0 300.402 3.181 20 10 DGCDRN C[C@@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1ccc(F)c(F)c1[O-] ZINC000187804677 287034678 /nfs/dbraw/zinc/03/46/78/287034678.db2.gz GEEJYFPIUNLUDC-ZMZPIMSZSA-N 0 0 319.351 3.155 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000269186707 432155537 /nfs/dbraw/zinc/15/55/37/432155537.db2.gz DENYZQRASRYDTN-OAHLLOKOSA-N 0 0 318.417 3.073 20 10 DGCDRN CCc1ncsc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000138461826 432181977 /nfs/dbraw/zinc/18/19/77/432181977.db2.gz WHEWMZGPJOTLJY-UHFFFAOYSA-N 0 0 315.442 3.018 20 10 DGCDRN COc1cccc(C2([NH2+]Cc3cc([N+](=O)[O-])ccc3[O-])CC2)c1 ZINC000150895868 432200431 /nfs/dbraw/zinc/20/04/31/432200431.db2.gz ROTVATWFBQAHQU-UHFFFAOYSA-N 0 0 314.341 3.088 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@@](C)(O)C1CC1 ZINC000270024672 432227255 /nfs/dbraw/zinc/22/72/55/432227255.db2.gz JZNRJYVQYPDKMY-LJQANCHMSA-N 0 0 318.461 3.041 20 10 DGCDRN Cn1cc(CN2CCc3c2cccc3F)c(-c2cccnc2)n1 ZINC000184428887 228384233 /nfs/dbraw/zinc/38/42/33/228384233.db2.gz YGCANXBESPFNRZ-UHFFFAOYSA-N 0 0 308.360 3.184 20 10 DGCDRN Nc1ccc(CCNC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)cc1 ZINC000262359848 228643286 /nfs/dbraw/zinc/64/32/86/228643286.db2.gz WFZXGJOHMWGKFC-KBPBESRZSA-N 0 0 314.351 3.296 20 10 DGCDRN CCOc1cccc(CNc2ccc(C(=O)N(C)C)cc2)c1O ZINC000284368793 228769052 /nfs/dbraw/zinc/76/90/52/228769052.db2.gz NPUHSUBFHNFZMU-UHFFFAOYSA-N 0 0 314.385 3.105 20 10 DGCDRN Cc1ccnc(NCc2ccc(N(C)C)cc2C)c1[N+](=O)[O-] ZINC000301298576 228895211 /nfs/dbraw/zinc/89/52/11/228895211.db2.gz QANVEAVDJBLDMK-UHFFFAOYSA-N 0 0 300.362 3.285 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)Cc1ccc[nH]1 ZINC000350064428 229219310 /nfs/dbraw/zinc/21/93/10/229219310.db2.gz AUNNHVYIUSTHAK-UHFFFAOYSA-N 0 0 310.401 3.156 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1C[C@H]1c1ccco1 ZINC000371791803 229534348 /nfs/dbraw/zinc/53/43/48/229534348.db2.gz CLGQVEBXFUPZLG-HUUCEWRRSA-N 0 0 311.381 3.284 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C)[C@H](CO)SC)c1cccc(Cl)c1[O-] ZINC000287880053 288060580 /nfs/dbraw/zinc/06/05/80/288060580.db2.gz YJJFFURRLZCOOZ-XDTLVQLUSA-N 0 0 303.855 3.199 20 10 DGCDRN Cc1ccc(C(=O)N2CCc3sccc3[C@H]2C)c(O)c1O ZINC000272569291 278788474 /nfs/dbraw/zinc/78/84/74/278788474.db2.gz HVOKOMFXAJFAGU-SNVBAGLBSA-N 0 0 303.383 3.227 20 10 DGCDRN CC[C@H]([NH2+][C@H](C)C(=O)NC(C)(C)C)c1cccc(Cl)c1[O-] ZINC000287559375 288076072 /nfs/dbraw/zinc/07/60/72/288076072.db2.gz GEJPOJXNICYJRW-MFKMUULPSA-N 0 0 312.841 3.390 20 10 DGCDRN CC(C)OCCC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108296313 431132459 /nfs/dbraw/zinc/13/24/59/431132459.db2.gz LXMKZULUZKELFF-UHFFFAOYSA-N 0 0 318.461 3.354 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)N3CCCC3)cc2)CC1 ZINC000108431364 431142149 /nfs/dbraw/zinc/14/21/49/431142149.db2.gz HNLOAZGCONZFQM-UHFFFAOYSA-N 0 0 301.434 3.228 20 10 DGCDRN CCSCC[C@H](C)N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000075546349 431484680 /nfs/dbraw/zinc/48/46/80/431484680.db2.gz HPWFWZDNBDXMNL-AWEZNQCLSA-N 0 0 323.506 3.426 20 10 DGCDRN Nc1ccc(CC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000020185826 431621726 /nfs/dbraw/zinc/62/17/26/431621726.db2.gz WHNVZPKVIZCGFY-UHFFFAOYSA-N 0 0 309.413 3.440 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)[C@H]1CCOC1 ZINC000119981499 431722246 /nfs/dbraw/zinc/72/22/46/431722246.db2.gz ZRCFATYDDZZEDU-KGLIPLIRSA-N 0 0 318.442 3.310 20 10 DGCDRN CCCc1ccc(S(=O)(=O)Nc2ccc(O)cc2C)cc1 ZINC000080357802 431766650 /nfs/dbraw/zinc/76/66/50/431766650.db2.gz MREBVLLMEQCVCE-UHFFFAOYSA-N 0 0 305.399 3.454 20 10 DGCDRN O=C1[C@H](Sc2nccs2)CCN1c1c(F)cccc1F ZINC000088499743 431858160 /nfs/dbraw/zinc/85/81/60/431858160.db2.gz MMHNIATZJQCITQ-SNVBAGLBSA-N 0 0 312.366 3.319 20 10 DGCDRN Cc1noc(C)c1[C@@H](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000125245139 431918139 /nfs/dbraw/zinc/91/81/39/431918139.db2.gz GMCKZVIEWNARFS-LBPRGKRZSA-N 0 0 315.417 3.167 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC1CC1 ZINC000045459273 431885481 /nfs/dbraw/zinc/88/54/81/431885481.db2.gz JYNPCACUPAHJML-UHFFFAOYSA-N 0 0 301.434 3.228 20 10 DGCDRN CCN(C)c1ccc([C@H](C)N[C@H](C(N)=O)c2ccccc2)cc1 ZINC000125996881 431940197 /nfs/dbraw/zinc/94/01/97/431940197.db2.gz LMILMFWHGZNEJL-KSSFIOAISA-N 0 0 311.429 3.020 20 10 DGCDRN Cc1cc(C)nc(NCc2ccc(N3CCSCC3)cc2)n1 ZINC000097476802 431969487 /nfs/dbraw/zinc/96/94/87/431969487.db2.gz MYADWIJFDPFDRO-UHFFFAOYSA-N 0 0 314.458 3.259 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH+]1CCN(c2ccccc2O)CC1 ZINC000183467559 432295787 /nfs/dbraw/zinc/29/57/87/432295787.db2.gz MPDSUBXQOMMJQV-UHFFFAOYSA-N 0 0 318.804 3.073 20 10 DGCDRN CC(C)c1ncc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)s1 ZINC000183470911 432296126 /nfs/dbraw/zinc/29/61/26/432296126.db2.gz RHIAMTNBFQISCV-JTQLQIEISA-N 0 0 320.414 3.039 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cc(CC)nn1C ZINC000173202246 432262719 /nfs/dbraw/zinc/26/27/19/432262719.db2.gz ZACTZFPDVWBKNM-UHFFFAOYSA-N 0 0 316.405 3.132 20 10 DGCDRN CCC1(O)CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000271169159 432343552 /nfs/dbraw/zinc/34/35/52/432343552.db2.gz DJOMLMZERMQLPW-UHFFFAOYSA-N 0 0 304.217 3.436 20 10 DGCDRN COc1cc(CN(C)Cc2ccccc2O)c([N+](=O)[O-])cc1F ZINC000184256817 432373128 /nfs/dbraw/zinc/37/31/28/432373128.db2.gz ITMQIYIGTUNTAN-UHFFFAOYSA-N 0 0 320.320 3.080 20 10 DGCDRN Cc1cc(C(=O)N[C@H]2CCO[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC000271397665 432387002 /nfs/dbraw/zinc/38/70/02/432387002.db2.gz JPQVWKNJWKVOIM-HOCLYGCPSA-N 0 0 312.413 3.391 20 10 DGCDRN C[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C[C@H]1n1ccnc1 ZINC000271228100 432358475 /nfs/dbraw/zinc/35/84/75/432358475.db2.gz BFMFKLMMCFFXLN-SWLSCSKDSA-N 0 0 305.809 3.325 20 10 DGCDRN COc1ccccc1[C@@H]1CCCN1C(=O)c1cccc(O)c1O ZINC000193015052 432439933 /nfs/dbraw/zinc/43/99/33/432439933.db2.gz YUXFEZLWPPAHTE-AWEZNQCLSA-N 0 0 313.353 3.084 20 10 DGCDRN C[C@]1(c2ccccc2)CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000193068809 432445547 /nfs/dbraw/zinc/44/55/47/432445547.db2.gz XBTHQMVMMATXNQ-IBGZPJMESA-N 0 0 311.381 3.292 20 10 DGCDRN Cn1cnc(-c2cccc(NCc3cccc(Cl)c3O)c2)n1 ZINC000153502602 432414981 /nfs/dbraw/zinc/41/49/81/432414981.db2.gz YLLJEQOBJVTXAA-UHFFFAOYSA-N 0 0 314.776 3.453 20 10 DGCDRN CC(C)c1nnc([C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)[nH]1 ZINC000271586611 432421286 /nfs/dbraw/zinc/42/12/86/432421286.db2.gz XOUQQNOJPFVACF-STQMWFEESA-N 0 0 301.438 3.406 20 10 DGCDRN Nc1ccc(CCNC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000262139167 432477288 /nfs/dbraw/zinc/47/72/88/432477288.db2.gz MFZZSFPOBNLRFO-CHWSQXEVSA-N 0 0 314.351 3.296 20 10 DGCDRN CC(C)[C@H](NC(=O)Cc1ccc(N)cc1)c1nc2ccccc2[nH]1 ZINC000262652317 432496598 /nfs/dbraw/zinc/49/65/98/432496598.db2.gz VUMMJGXTSNBZOE-SFHVURJKSA-N 0 0 322.412 3.201 20 10 DGCDRN CCO[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000194461554 432552464 /nfs/dbraw/zinc/55/24/64/432552464.db2.gz QKALXKOHOYHOOB-KRWDZBQOSA-N 0 0 316.357 3.168 20 10 DGCDRN CC(C)NC(=O)CC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000263643150 432560404 /nfs/dbraw/zinc/56/04/04/432560404.db2.gz AKNPVXIHBIJRQW-UHFFFAOYSA-N 0 0 312.413 3.064 20 10 DGCDRN Cc1cc(O)c(C[NH+]2CCC(O)(c3ccccc3)CC2)cc1C ZINC000185642421 432518790 /nfs/dbraw/zinc/51/87/90/432518790.db2.gz QTOLSGJGTMJOMW-UHFFFAOYSA-N 0 0 311.425 3.493 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1C[C@@H]2CCC[C@H]2C1 ZINC000176485985 432528020 /nfs/dbraw/zinc/52/80/20/432528020.db2.gz VSZMBFDAYQYZAW-IRXDYDNUSA-N 0 0 313.445 3.228 20 10 DGCDRN Cc1cc(C(=O)Nc2cc(C3CC3)[nH]n2)c(C)n1-c1ccccn1 ZINC000264035395 432606712 /nfs/dbraw/zinc/60/67/12/432606712.db2.gz NZFOQTNQBOABDT-UHFFFAOYSA-N 0 0 321.384 3.342 20 10 DGCDRN CCOC(=O)[C@H](NCc1cc(C)c(C)cc1O)c1ccccc1 ZINC000194743908 432573658 /nfs/dbraw/zinc/57/36/58/432573658.db2.gz WOEJZHHVOCBWAV-GOSISDBHSA-N 0 0 313.397 3.403 20 10 DGCDRN Cc1ccc([C@H](C)Nc2ccc3c(c2)N(C)C(=O)CO3)c(O)c1 ZINC000186326575 432582956 /nfs/dbraw/zinc/58/29/56/432582956.db2.gz YUKSULFBFCFJLS-LBPRGKRZSA-N 0 0 312.369 3.229 20 10 DGCDRN CC[C@@H](NC(=O)NCc1ccccc1O)c1nc(C)cs1 ZINC000264248448 432631960 /nfs/dbraw/zinc/63/19/60/432631960.db2.gz BBULNERGWWIJNM-GFCCVEGCSA-N 0 0 305.403 3.108 20 10 DGCDRN COc1ccc(N(Cc2nc([C@@H](C)OC)no2)C(C)C)cc1F ZINC000177668105 432648114 /nfs/dbraw/zinc/64/81/14/432648114.db2.gz YOLBNODWLXFIPK-LLVKDONJSA-N 0 0 323.368 3.340 20 10 DGCDRN CCN(CC)c1ccc(CNC(C)(C)c2noc(C)n2)cc1 ZINC000264381244 432641622 /nfs/dbraw/zinc/64/16/22/432641622.db2.gz KBCALPIPHIHMBB-UHFFFAOYSA-N 0 0 302.422 3.249 20 10 DGCDRN Cc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)cc1 ZINC000187062381 432644634 /nfs/dbraw/zinc/64/46/34/432644634.db2.gz NKHRYXZDQSXCEC-UHFFFAOYSA-N 0 0 305.399 3.427 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc(F)c(F)c1[O-] ZINC000187668319 432676359 /nfs/dbraw/zinc/67/63/59/432676359.db2.gz SLWAMUIRHJUYQT-YMTOWFKASA-N 0 0 311.303 3.194 20 10 DGCDRN C[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1ccc(F)c(F)c1[O-] ZINC000187730422 432679989 /nfs/dbraw/zinc/67/99/89/432679989.db2.gz UVGPZCGVVMTWKU-BJOHPYRUSA-N 0 0 313.369 3.290 20 10 DGCDRN C[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1ccc(F)c(F)c1[O-] ZINC000187730442 432680572 /nfs/dbraw/zinc/68/05/72/432680572.db2.gz UVGPZCGVVMTWKU-RFAUZJTJSA-N 0 0 313.369 3.290 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)[C@@H]2CCOC2)cc1 ZINC000266039733 432751330 /nfs/dbraw/zinc/75/13/30/432751330.db2.gz FWSJTUWDOJIVKJ-NVXWUHKLSA-N 0 0 312.413 3.249 20 10 DGCDRN COCCOc1ccc(NCc2cc(OC)ccc2O)cc1 ZINC000237165890 432779401 /nfs/dbraw/zinc/77/94/01/432779401.db2.gz VSVQZNQEXHLXJN-UHFFFAOYSA-N 0 0 303.358 3.038 20 10 DGCDRN CC(=O)c1c(C)oc2ncnc(NCc3ccc(N(C)C)cc3)c21 ZINC000178851461 432781988 /nfs/dbraw/zinc/78/19/88/432781988.db2.gz KSUQSKYCVUOSME-UHFFFAOYSA-N 0 0 324.384 3.412 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CC1(OC)CCC1 ZINC000276598188 432821853 /nfs/dbraw/zinc/82/18/53/432821853.db2.gz BURSWHOOAMICCK-UHFFFAOYSA-N 0 0 304.434 3.060 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])[C@@H](O)C(F)(F)F ZINC000276912646 432827703 /nfs/dbraw/zinc/82/77/03/432827703.db2.gz LANINZNLCJTYNB-ZKQGETEISA-N 0 0 313.266 3.023 20 10 DGCDRN CCc1c(NC(=O)c2cccc(O)c2O)cnn1CCC(C)C ZINC000276985683 432827991 /nfs/dbraw/zinc/82/79/91/432827991.db2.gz BPJAFSRQLXKFCV-UHFFFAOYSA-N 0 0 317.389 3.155 20 10 DGCDRN CCOc1cccc(CN[C@H](C)c2nnc([C@H](C)CC)[nH]2)c1O ZINC000277172845 432830101 /nfs/dbraw/zinc/83/01/01/432830101.db2.gz HXDAKGSNNFGYMG-VXGBXAGGSA-N 0 0 318.421 3.273 20 10 DGCDRN CCOc1cccc(CN[C@@H](C)c2nnc([C@H](C)CC)[nH]2)c1O ZINC000277172830 432830213 /nfs/dbraw/zinc/83/02/13/432830213.db2.gz HXDAKGSNNFGYMG-NEPJUHHUSA-N 0 0 318.421 3.273 20 10 DGCDRN CCS(=O)(=O)c1ccc(NCc2ccc(N(C)C)cc2)cc1 ZINC000276383820 432802957 /nfs/dbraw/zinc/80/29/57/432802957.db2.gz ZJPJRHDKZRTJJE-UHFFFAOYSA-N 0 0 318.442 3.158 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000278240742 432889556 /nfs/dbraw/zinc/88/95/56/432889556.db2.gz NUADWDQMXDEXNV-AAEUAGOBSA-N 0 0 306.362 3.074 20 10 DGCDRN COc1c(O)c(CN(C)Cc2ccccc2F)ccc1[N+](=O)[O-] ZINC000278309929 432891128 /nfs/dbraw/zinc/89/11/28/432891128.db2.gz WPJVSYFJGNJYTL-UHFFFAOYSA-N 0 0 320.320 3.080 20 10 DGCDRN O=C(NCc1ccccc1O)NCc1cc(C2CC2)ccc1F ZINC000296569179 432923075 /nfs/dbraw/zinc/92/30/75/432923075.db2.gz DJFIRHVLUPADMO-UHFFFAOYSA-N 0 0 314.360 3.408 20 10 DGCDRN C[N@H+](CCNC(=O)OC(C)(C)C)Cc1cccc(Cl)c1[O-] ZINC000296658494 432923799 /nfs/dbraw/zinc/92/37/99/432923799.db2.gz XECJHHHLIDTOTN-UHFFFAOYSA-N 0 0 314.813 3.002 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2CCOC[C@H]2C)c(C)n1-c1ccccc1 ZINC000278783503 432900835 /nfs/dbraw/zinc/90/08/35/432900835.db2.gz YLLXNQFVVDBSAW-FZKQIMNGSA-N 0 0 312.413 3.249 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2CCOC[C@@H]2C)c(C)n1-c1ccccc1 ZINC000278783506 432900847 /nfs/dbraw/zinc/90/08/47/432900847.db2.gz YLLXNQFVVDBSAW-SCLBCKFNSA-N 0 0 312.413 3.249 20 10 DGCDRN Cc1ccc(O)c([C@@H](C)NCc2ncc(C(F)(F)F)cn2)c1 ZINC000296417544 432905423 /nfs/dbraw/zinc/90/54/23/432905423.db2.gz LFCLDMQUZABWDQ-SNVBAGLBSA-N 0 0 311.307 3.360 20 10 DGCDRN CC[C@@H]([NH2+]Cc1ncccc1N(C)C)c1ccc(F)cc1[O-] ZINC000289749763 432973416 /nfs/dbraw/zinc/97/34/16/432973416.db2.gz LAVSRYCRNVMLPD-CQSZACIVSA-N 0 0 303.381 3.233 20 10 DGCDRN COCc1nc(CN[C@H](C)c2cc(Cl)ccc2O)cs1 ZINC000289776655 432975554 /nfs/dbraw/zinc/97/55/54/432975554.db2.gz MKZMWNCULIXNCC-SECBINFHSA-N 0 0 312.822 3.499 20 10 DGCDRN Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)Cc2cccc(F)c2)c(O)c1 ZINC000297216079 432975817 /nfs/dbraw/zinc/97/58/17/432975817.db2.gz GZVCBKSSCUFABA-WMLDXEAASA-N 0 0 317.404 3.402 20 10 DGCDRN COc1ccc(N2CCN(Cc3csc(Cl)n3)CC2)cc1 ZINC000290039738 432982547 /nfs/dbraw/zinc/98/25/47/432982547.db2.gz NYQVRZBRBZTFDV-UHFFFAOYSA-N 0 0 323.849 3.127 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCSC2)cc1 ZINC000279934244 432997094 /nfs/dbraw/zinc/99/70/94/432997094.db2.gz IYTUDRXCRSUMAS-HNNXBMFYSA-N 0 0 321.490 3.085 20 10 DGCDRN CCOCc1nc([C@H](C)N[C@@H](CC)c2ccccc2O)no1 ZINC000290140793 432999362 /nfs/dbraw/zinc/99/93/62/432999362.db2.gz KQIUWMQZFADWPY-AAEUAGOBSA-N 0 0 305.378 3.114 20 10 DGCDRN COc1ccc(N(Cc2ncnn2C(C)C)C(C)C)cc1F ZINC000280091245 433001384 /nfs/dbraw/zinc/00/13/84/433001384.db2.gz SATQBPWWHXDYLO-UHFFFAOYSA-N 0 0 306.385 3.422 20 10 DGCDRN CC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccc(C)cc1O ZINC000280282110 433028408 /nfs/dbraw/zinc/02/84/08/433028408.db2.gz YOWBVCIGUYRXBX-SFHVURJKSA-N 0 0 320.477 3.242 20 10 DGCDRN CCCn1ccnc1CCC[N@H+](C)Cc1cc(F)ccc1O ZINC000290328798 433031919 /nfs/dbraw/zinc/03/19/19/433031919.db2.gz DNWDSHQYTLRBDL-UHFFFAOYSA-N 0 0 305.397 3.202 20 10 DGCDRN CC[C@@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1ccccc1O ZINC000373212837 433128382 /nfs/dbraw/zinc/12/83/82/433128382.db2.gz VHUSGOPJWGSXIW-MRXNPFEDSA-N 0 0 308.385 3.214 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)C1=C(C)OCCS1 ZINC000280737557 433155793 /nfs/dbraw/zinc/15/57/93/433155793.db2.gz JEQJMYBZCYWBKG-UHFFFAOYSA-N 0 0 307.415 3.126 20 10 DGCDRN Cn1cc([C@@H](NCc2ccc3c(c2)CCO3)c2ccccc2)cn1 ZINC000374644290 433247587 /nfs/dbraw/zinc/24/75/87/433247587.db2.gz GXTFWWHKWPNXHA-FQEVSTJZSA-N 0 0 319.408 3.234 20 10 DGCDRN CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(F)c(F)c2[O-])C1 ZINC000281074563 433257140 /nfs/dbraw/zinc/25/71/40/433257140.db2.gz OMQJPUWXWOMCHC-MXWKQRLJSA-N 0 0 313.344 3.053 20 10 DGCDRN CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])C1 ZINC000281074560 433257429 /nfs/dbraw/zinc/25/74/29/433257429.db2.gz OMQJPUWXWOMCHC-AXFHLTTASA-N 0 0 313.344 3.053 20 10 DGCDRN CSCCCN(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000281053081 433258048 /nfs/dbraw/zinc/25/80/48/433258048.db2.gz SOXWWXLHBYSMCG-UHFFFAOYSA-N 0 0 321.490 3.181 20 10 DGCDRN COc1cccc(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)c1O ZINC000291655989 433302673 /nfs/dbraw/zinc/30/26/73/433302673.db2.gz UYOPLLQODPTOEU-KRWDZBQOSA-N 0 0 324.424 3.038 20 10 DGCDRN CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000186224074 290345575 /nfs/dbraw/zinc/34/55/75/290345575.db2.gz YFLSSZCBLFLHAS-QMMMGPOBSA-N 0 0 319.232 3.122 20 10 DGCDRN COCc1ccc(/C=C2\SC(=S)N(C3CCC3)C2=O)o1 ZINC000292243731 433519016 /nfs/dbraw/zinc/51/90/16/433519016.db2.gz CLZJNNZNWDEUQL-GHXNOFRVSA-N 0 0 309.412 3.180 20 10 DGCDRN Cc1nsc(NCc2ccc(N3CCSCC3)cc2)n1 ZINC000301357520 433523725 /nfs/dbraw/zinc/52/37/25/433523725.db2.gz MRRCJMWLTVOFMQ-UHFFFAOYSA-N 0 0 306.460 3.012 20 10 DGCDRN CC(C)c1noc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000301316927 433504997 /nfs/dbraw/zinc/50/49/97/433504997.db2.gz AJRUYZAAKAPJJI-ZDUSSCGKSA-N 0 0 316.405 3.203 20 10 DGCDRN COc1cccc(/C=C2\SC(=S)N(C3CCC3)C2=O)c1 ZINC000292385540 433560594 /nfs/dbraw/zinc/56/05/94/433560594.db2.gz UZZWFIJLCKFRNU-LCYFTJDESA-N 0 0 305.424 3.449 20 10 DGCDRN Cc1nc([C@@H]2CCC[N@H+](Cc3cccc(Cl)c3[O-])C2)no1 ZINC000375838186 433587164 /nfs/dbraw/zinc/58/71/64/433587164.db2.gz FCQVOXFFZQLVQO-GFCCVEGCSA-N 0 0 307.781 3.117 20 10 DGCDRN O=C(/C=C/c1cncs1)NCc1ccc(N2CCCC2)cc1 ZINC000282924263 433643390 /nfs/dbraw/zinc/64/33/90/433643390.db2.gz FCCJNSVSOGXZPM-BQYQJAHWSA-N 0 0 313.426 3.073 20 10 DGCDRN CN(C)c1ccc(CN[C@@H](c2nc[nH]n2)C2CCCCC2)cc1 ZINC000292900988 433605835 /nfs/dbraw/zinc/60/58/35/433605835.db2.gz DNLWDALQIKFURF-QGZVFWFLSA-N 0 0 313.449 3.282 20 10 DGCDRN CCCC[N@H+](Cc1ccccc1O)[C@H]1CCN(C(C)C)C1=O ZINC000282476239 433612304 /nfs/dbraw/zinc/61/23/04/433612304.db2.gz OIAXVYGWUYQABP-INIZCTEOSA-N 0 0 304.434 3.004 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Cc1cccc(O)c1 ZINC000282550061 433612464 /nfs/dbraw/zinc/61/24/64/433612464.db2.gz SGYRMVNBBJRUAS-UHFFFAOYSA-N 0 0 313.397 3.469 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@H](C2CC2)C1 ZINC000362397846 433691267 /nfs/dbraw/zinc/69/12/67/433691267.db2.gz URGYHSJGCAAANN-QGZVFWFLSA-N 0 0 311.429 3.004 20 10 DGCDRN CCN(CC)c1ccc(CNc2nccc(N(C)C)n2)cc1F ZINC000301722398 433696223 /nfs/dbraw/zinc/69/62/23/433696223.db2.gz KGDPSFCCCUFDSC-UHFFFAOYSA-N 0 0 317.412 3.140 20 10 DGCDRN COc1cccc(CNc2c(F)cc([N+](=O)[O-])cc2F)c1O ZINC000301804271 433731564 /nfs/dbraw/zinc/73/15/64/433731564.db2.gz VHWDCVZLWMSGSW-UHFFFAOYSA-N 0 0 310.256 3.199 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ncoc1C1CC1 ZINC000293479702 433751720 /nfs/dbraw/zinc/75/17/20/433751720.db2.gz MHALMYLZUKBQOL-UHFFFAOYSA-N 0 0 311.385 3.082 20 10 DGCDRN CN(C)c1ccc(CN2CC(C)(C)[C@@H]2c2nccn2C)cc1F ZINC000294706784 434126386 /nfs/dbraw/zinc/12/63/86/434126386.db2.gz DJBSFYQVUBBLJL-INIZCTEOSA-N 0 0 316.424 3.208 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CCO[C@@H]1c1cccnc1 ZINC000294711481 434129729 /nfs/dbraw/zinc/12/97/29/434129729.db2.gz OSOOLVIPKQHMPB-GOEBONIOSA-N 0 0 322.767 3.200 20 10 DGCDRN CCn1cc([C@@H](C)[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cn1 ZINC000294871929 434151495 /nfs/dbraw/zinc/15/14/95/434151495.db2.gz PFKZTPLDORVAFV-SECBINFHSA-N 0 0 324.768 3.021 20 10 DGCDRN Cc1c(NCc2ccc(N(C)C)cc2)cnn1C1CCOCC1 ZINC000295065493 434173991 /nfs/dbraw/zinc/17/39/91/434173991.db2.gz GVVODCXDCXMNFM-UHFFFAOYSA-N 0 0 314.433 3.221 20 10 DGCDRN C[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)c1ccsc1 ZINC000437002937 434202926 /nfs/dbraw/zinc/20/29/26/434202926.db2.gz ARGLSEBZXSZMAO-LBPRGKRZSA-N 0 0 316.426 3.343 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H]2CCCCC2(F)F)c1 ZINC000295110232 434205320 /nfs/dbraw/zinc/20/53/20/434205320.db2.gz LMRGIIGYHBFCRT-NSHDSACASA-N 0 0 300.305 3.216 20 10 DGCDRN Cc1ccc(C(=O)Nc2cccc(-c3cn[nH]c3)c2)c(O)c1O ZINC000378565403 434222950 /nfs/dbraw/zinc/22/29/50/434222950.db2.gz JNPOWFSPDIXBFA-UHFFFAOYSA-N 0 0 309.325 3.049 20 10 DGCDRN COC(=O)c1cnc(SCC[C@@H](O)c2ccccc2)s1 ZINC000295275302 434288282 /nfs/dbraw/zinc/28/82/82/434288282.db2.gz JZLKTOCOJKCRBN-LLVKDONJSA-N 0 0 309.412 3.146 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000295484378 434381097 /nfs/dbraw/zinc/38/10/97/434381097.db2.gz XHNYDJFLRFPGRV-UHFFFAOYSA-N 0 0 309.772 3.287 20 10 DGCDRN Cc1cc(C(=O)NCCC(C)(F)F)c(C)n1-c1ccccn1 ZINC000295601551 434423086 /nfs/dbraw/zinc/42/30/86/434423086.db2.gz PDRIWCFFBJIJOY-UHFFFAOYSA-N 0 0 307.344 3.264 20 10 DGCDRN CCC[C@@H]1CCC[C@H]1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000295656332 434426106 /nfs/dbraw/zinc/42/61/06/434426106.db2.gz DNPTUIBVKVHPHL-BPLDGKMQSA-N 0 0 305.418 3.361 20 10 DGCDRN COc1ncc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1Cl ZINC000295843757 434438600 /nfs/dbraw/zinc/43/86/00/434438600.db2.gz ARSKDJZBQGHVHX-SECBINFHSA-N 0 0 310.756 3.439 20 10 DGCDRN CCOc1cccc(C[NH2+]CC2(c3ccccn3)CCC2)c1O ZINC000368600177 434580871 /nfs/dbraw/zinc/58/08/71/434580871.db2.gz AYDRLNBGAULLSU-UHFFFAOYSA-N 0 0 312.413 3.397 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000369684255 434599269 /nfs/dbraw/zinc/59/92/69/434599269.db2.gz SWSIBGLLBMQOIO-AWEZNQCLSA-N 0 0 302.201 3.046 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1cc(F)ccc1O ZINC000371869753 434765131 /nfs/dbraw/zinc/76/51/31/434765131.db2.gz KEVJZJSOSWXRIO-XIKOKIGWSA-N 0 0 301.361 3.496 20 10 DGCDRN C[C@@H]1[C@@H](C(=O)NCc2cccc(Br)c2O)[C@H]1C1CC1 ZINC000529170897 435034004 /nfs/dbraw/zinc/03/40/04/435034004.db2.gz MAPQNCOENCBMRG-ZEGGKSINSA-N 0 0 324.218 3.063 20 10 DGCDRN Cn1cc(/C=C\C(=O)N2CCc3ccncc32)c2ccccc21 ZINC000492433268 434982444 /nfs/dbraw/zinc/98/24/44/434982444.db2.gz BMCXGQCMMHQQHJ-SREVYHEPSA-N 0 0 303.365 3.176 20 10 DGCDRN CCN(C(=O)C=Cc1c[nH]cn1)c1cccc(Br)c1 ZINC000492760451 435045324 /nfs/dbraw/zinc/04/53/24/435045324.db2.gz CNTLNQRPKZFPGV-SREVYHEPSA-N 0 0 320.190 3.239 20 10 DGCDRN Cn1ccc(/C=C\C(=O)N(Cc2ncc[nH]2)c2cccc(F)c2)c1 ZINC000493387510 435161869 /nfs/dbraw/zinc/16/18/69/435161869.db2.gz MNWQPFZUQFMNHL-WAYWQWQTSA-N 0 0 324.359 3.134 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC000649788741 435704589 /nfs/dbraw/zinc/70/45/89/435704589.db2.gz DWWCSNMSDYMBPV-JKSUJKDBSA-N 0 0 314.429 3.304 20 10 DGCDRN Cc1noc(C)c1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298376617 302835959 /nfs/dbraw/zinc/83/59/59/302835959.db2.gz OTEQZMRXRWJNCQ-UHFFFAOYSA-N 0 0 313.401 3.162 20 10 DGCDRN CC[C@@H](CSC)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000181000600 333166855 /nfs/dbraw/zinc/16/68/55/333166855.db2.gz INUHCYFVUNOKHL-HNNXBMFYSA-N 0 0 319.474 3.004 20 10 DGCDRN CCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])c1 ZINC000185177311 333205096 /nfs/dbraw/zinc/20/50/96/333205096.db2.gz WFRPNGCDGTWGES-GFCCVEGCSA-N 0 0 316.376 3.132 20 10 DGCDRN CC(C)C[C@H](CCO)C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187742418 333237146 /nfs/dbraw/zinc/23/71/46/333237146.db2.gz RJDVTBMTVBUYDT-NEPJUHHUSA-N 0 0 301.377 3.366 20 10 DGCDRN COc1cc(OC)cc(N(C)C(=O)/C=C/c2scnc2C)c1 ZINC000188236992 333361858 /nfs/dbraw/zinc/36/18/58/333361858.db2.gz XCXQTLYIAIIPLR-AATRIKPKSA-N 0 0 318.398 3.145 20 10 DGCDRN Cc1cc(O)ccc1NS(=O)(=O)c1ccc(C2CC2)cc1 ZINC000295698188 335137056 /nfs/dbraw/zinc/13/70/56/335137056.db2.gz DZEGINISUAFQTM-UHFFFAOYSA-N 0 0 303.383 3.379 20 10 DGCDRN CCN(CC)c1ccc(CNc2ncnc(N)c2Cl)cc1 ZINC000302805939 336369963 /nfs/dbraw/zinc/36/99/63/336369963.db2.gz WXAINKJUMYXGBP-UHFFFAOYSA-N 0 0 305.813 3.171 20 10 DGCDRN Cc1cnc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000302896275 336373701 /nfs/dbraw/zinc/37/37/01/336373701.db2.gz QYMNQBHZXHARQN-ZDUSSCGKSA-N 0 0 303.431 3.461 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC(C2CCC2)C1 ZINC000503359320 340126210 /nfs/dbraw/zinc/12/62/10/340126210.db2.gz XRDHMUYBNMTDDH-UHFFFAOYSA-N 0 0 311.429 3.428 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCC(C)(C)C1 ZINC000542865957 341024210 /nfs/dbraw/zinc/02/42/10/341024210.db2.gz IRITZZLKUOSAJD-CYBMUJFWSA-N 0 0 302.418 3.304 20 10 DGCDRN C[C@H]1CC[C@@H](CC(=O)N2CCOc3cc(N(C)C)ccc32)C1 ZINC000132482546 341124246 /nfs/dbraw/zinc/12/42/46/341124246.db2.gz FOMLPAOJANRBLM-UONOGXRCSA-N 0 0 302.418 3.304 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)C[C@@H]1CCOC1 ZINC000177348930 533720646 /nfs/dbraw/zinc/72/06/46/533720646.db2.gz GUPJOQKICFKLTE-AWEZNQCLSA-N 0 0 318.442 3.264 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CC(C)(C)CO ZINC000295770934 533720759 /nfs/dbraw/zinc/72/07/59/533720759.db2.gz COSUIBUGGIJCTM-UHFFFAOYSA-N 0 0 320.458 3.246 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1c[nH]nc1C1CC1 ZINC000352112801 533971332 /nfs/dbraw/zinc/97/13/32/533971332.db2.gz WODNGBXABDQRCJ-UHFFFAOYSA-N 0 0 308.385 3.017 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CSC[C@@H]1C ZINC000346315768 533971542 /nfs/dbraw/zinc/97/15/42/533971542.db2.gz IPXGXFGNMOYXTD-FZMZJTMJSA-N 0 0 317.458 3.037 20 10 DGCDRN COc1ccc(N2CCCN(Cc3csc(C)n3)CC2)cc1 ZINC000172319941 534002406 /nfs/dbraw/zinc/00/24/06/534002406.db2.gz DYOMPNFDCYJFBS-UHFFFAOYSA-N 0 0 317.458 3.172 20 10 DGCDRN COc1ccc(N2CCN(C(=O)Nc3ccsc3)CC2)cc1 ZINC000177706928 534010916 /nfs/dbraw/zinc/01/09/16/534010916.db2.gz NCUBCDQXDMUGDI-UHFFFAOYSA-N 0 0 317.414 3.111 20 10 DGCDRN C/C=C(\C)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000267514615 518479975 /nfs/dbraw/zinc/47/99/75/518479975.db2.gz LILADKPFSCNVEN-LUFMRPCYSA-N 0 0 316.445 3.226 20 10 DGCDRN CC(C)(C)c1ncc(/C=C/C(=O)N2CCCn3nccc32)s1 ZINC000266301148 519108453 /nfs/dbraw/zinc/10/84/53/519108453.db2.gz RANBBDGVFOFODQ-AATRIKPKSA-N 0 0 316.430 3.087 20 10 DGCDRN CC(C)(CNC(=O)Cc1ccc(N)cc1)c1cccc(F)c1 ZINC000236661860 519242902 /nfs/dbraw/zinc/24/29/02/519242902.db2.gz CYSPZTYQQVHTND-UHFFFAOYSA-N 0 0 300.377 3.044 20 10 DGCDRN CC(C)Cc1ccc(CC(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000159123057 519434322 /nfs/dbraw/zinc/43/43/22/519434322.db2.gz ATVBGHCDGQDJCZ-UHFFFAOYSA-N 0 0 313.397 3.155 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccncc1F ZINC000265866544 519655291 /nfs/dbraw/zinc/65/52/91/519655291.db2.gz OIYNJARQGHZUIA-UHFFFAOYSA-N 0 0 315.392 3.338 20 10 DGCDRN CC(C)COc1cccc(CNC(=O)Cc2ccc(N)cc2)c1 ZINC000236698680 519764218 /nfs/dbraw/zinc/76/42/18/519764218.db2.gz MSNJJSVLKYURGK-UHFFFAOYSA-N 0 0 312.413 3.163 20 10 DGCDRN CC(C)[C@@H](C)N(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000264758763 519790927 /nfs/dbraw/zinc/79/09/27/519790927.db2.gz PMYAYQPQDLHKMU-OJXHRBAXSA-N 0 0 316.445 3.039 20 10 DGCDRN CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)Cc1ccc(N)cc1 ZINC000236712330 519795909 /nfs/dbraw/zinc/79/59/09/519795909.db2.gz IRQFQKBZPBYHPG-GOSISDBHSA-N 0 0 314.404 3.334 20 10 DGCDRN CC(C)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(O)c(O)c1 ZINC000158928419 519795961 /nfs/dbraw/zinc/79/59/61/519795961.db2.gz YIXOQKVFGBCFDX-MRXNPFEDSA-N 0 0 313.397 3.229 20 10 DGCDRN CCO[C@@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)C12CCCCC2 ZINC000236886818 520412597 /nfs/dbraw/zinc/41/25/97/520412597.db2.gz VRQVVAZDYYZDHC-DLBZAZTESA-N 0 0 316.445 3.055 20 10 DGCDRN CCCCOCC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000267582721 520743214 /nfs/dbraw/zinc/74/32/14/520743214.db2.gz RMGYOYKZQNUWDB-UHFFFAOYSA-N 0 0 324.384 3.152 20 10 DGCDRN CCCCOc1cccc(CNC(=O)Cc2ccc(N)cc2)c1 ZINC000236711422 520900356 /nfs/dbraw/zinc/90/03/56/520900356.db2.gz CVHSTTYORFNXFM-UHFFFAOYSA-N 0 0 312.413 3.307 20 10 DGCDRN CCC[C@H]1C[C@@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000182904159 521225269 /nfs/dbraw/zinc/22/52/69/521225269.db2.gz NAHBLUDYVDRUDE-WMZOPIPTSA-N 0 0 318.461 3.306 20 10 DGCDRN CCCN(C(=O)NCc1ccc2c(c1)CCCN2C)C1CC1 ZINC000171435290 521428097 /nfs/dbraw/zinc/42/80/97/521428097.db2.gz POMYBKCXKSVFNU-UHFFFAOYSA-N 0 0 301.434 3.153 20 10 DGCDRN CCCn1c(C)nnc1CN(CC)c1ccc(OC)c(OC)c1 ZINC000270808046 521622047 /nfs/dbraw/zinc/62/20/47/521622047.db2.gz NNIWEMMKDDXOEO-UHFFFAOYSA-N 0 0 318.421 3.040 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1occ2c1CCOC2 ZINC000367696726 521689654 /nfs/dbraw/zinc/68/96/54/521689654.db2.gz JCYXFRCAOKWSDT-UHFFFAOYSA-N 0 0 315.369 3.110 20 10 DGCDRN CCOCCCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000266694733 521711467 /nfs/dbraw/zinc/71/14/67/521711467.db2.gz MVRALNVBMXXNQO-UHFFFAOYSA-N 0 0 321.465 3.099 20 10 DGCDRN CCS[C@H]1CCC[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180843770 521730802 /nfs/dbraw/zinc/73/08/02/521730802.db2.gz NKLLVTWWYUKHRX-QPJKDDTCSA-N 0 0 321.442 3.292 20 10 DGCDRN CCc1cccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000190920006 521763715 /nfs/dbraw/zinc/76/37/15/521763715.db2.gz FNJYLCJWUGTVKF-GFCCVEGCSA-N 0 0 314.385 3.413 20 10 DGCDRN CC[C@H](NC(=O)NCc1cccc(OC)c1O)c1ccccc1 ZINC000266669609 522453658 /nfs/dbraw/zinc/45/36/58/522453658.db2.gz AFNFMABBYVWYNE-HNNXBMFYSA-N 0 0 314.385 3.351 20 10 DGCDRN COc1cc(Cl)cc(CN2CCOC[C@H]2c2ccco2)c1O ZINC000368625330 522537473 /nfs/dbraw/zinc/53/74/73/522537473.db2.gz YQUATRXZNNEZNC-ZDUSSCGKSA-N 0 0 323.776 3.221 20 10 DGCDRN COCc1cc([N+](=O)[O-])ccc1NCc1ccc(N(C)C)cc1 ZINC000265974388 522940260 /nfs/dbraw/zinc/94/02/60/522940260.db2.gz CKXBNUZYGNSZAL-UHFFFAOYSA-N 0 0 315.373 3.419 20 10 DGCDRN COCc1cccc(/C=C2\SC(=S)N(C3CC3)C2=O)c1 ZINC000266557290 523025960 /nfs/dbraw/zinc/02/59/60/523025960.db2.gz JCPFIFQMJPZEAL-JYRVWZFOSA-N 0 0 305.424 3.197 20 10 DGCDRN CC[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000176328561 523323123 /nfs/dbraw/zinc/32/31/23/523323123.db2.gz VZCLRRVREQBRJE-OAHLLOKOSA-N 0 0 301.434 3.228 20 10 DGCDRN CO[C@@H](C)c1nc(CNCc2c(O)cccc2Cl)cs1 ZINC000267630889 523473203 /nfs/dbraw/zinc/47/32/03/523473203.db2.gz NUWRAMFAWKBXEQ-VIFPVBQESA-N 0 0 312.822 3.499 20 10 DGCDRN CN(Cc1csnn1)Cc1ccc(N2CCCCC2)cc1 ZINC000127774457 523543990 /nfs/dbraw/zinc/54/39/90/523543990.db2.gz PLBDWWRPMOFRDE-UHFFFAOYSA-N 0 0 302.447 3.160 20 10 DGCDRN CCc1cc(O)ccc1NS(=O)(=O)c1ccccc1CC ZINC000189432156 523830158 /nfs/dbraw/zinc/83/01/58/523830158.db2.gz ZKOSRKVBDQMSBM-UHFFFAOYSA-N 0 0 305.399 3.318 20 10 DGCDRN Cc1ccc(C2(C(=O)Nc3ccc(N)cc3)CCOCC2)cc1 ZINC000160372514 524228467 /nfs/dbraw/zinc/22/84/67/524228467.db2.gz WJNOMNGDHXWQJE-UHFFFAOYSA-N 0 0 310.397 3.264 20 10 DGCDRN C[C@@H](CC(=O)NCCc1ccc(O)c(O)c1)c1ccccc1F ZINC000156646084 524372060 /nfs/dbraw/zinc/37/20/60/524372060.db2.gz QWSOIQXTTKKBIB-LBPRGKRZSA-N 0 0 317.360 3.089 20 10 DGCDRN C[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]2CCCC[C@H]12 ZINC000180507676 524447715 /nfs/dbraw/zinc/44/77/15/524447715.db2.gz LQUBEQVKKWFFSM-WJLKLRMXSA-N 0 0 301.386 3.148 20 10 DGCDRN C[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H]2CCCC[C@H]12 ZINC000180507631 524447807 /nfs/dbraw/zinc/44/78/07/524447807.db2.gz LQUBEQVKKWFFSM-QVAQIGNMSA-N 0 0 301.386 3.148 20 10 DGCDRN COc1ccc(O)c([C@H](C)NCc2csc([C@@H](C)OC)n2)c1 ZINC000182393063 524771323 /nfs/dbraw/zinc/77/13/23/524771323.db2.gz XVPMLCAXGDENGD-WDEREUQCSA-N 0 0 322.430 3.416 20 10 DGCDRN Cc1cc(NS(=O)(=O)c2ccc(OC(C)C)cc2)ccc1O ZINC000182475714 525286654 /nfs/dbraw/zinc/28/66/54/525286654.db2.gz CCLHKGZDYPROIU-UHFFFAOYSA-N 0 0 321.398 3.289 20 10 DGCDRN COc1ccc([C@H](NC(=O)Cc2ccc(N)cc2)C2CC2)cc1 ZINC000237351673 525367547 /nfs/dbraw/zinc/36/75/47/525367547.db2.gz IHIAESISJFXJLT-LJQANCHMSA-N 0 0 310.397 3.087 20 10 DGCDRN Cc1cccnc1[C@H](NC(=O)NCc1ccccc1O)C(C)C ZINC000265240683 525553396 /nfs/dbraw/zinc/55/33/96/525553396.db2.gz OWBVCUWLVUMMSP-MRXNPFEDSA-N 0 0 313.401 3.292 20 10 DGCDRN C[C@@H](O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000193369314 525809847 /nfs/dbraw/zinc/80/98/47/525809847.db2.gz KRMBLZNCYQUMSF-UKRRQHHQSA-N 0 0 318.442 3.202 20 10 DGCDRN COc1cccc(CN2CCCC[C@@H]2C(=O)OC(C)(C)C)c1O ZINC000131871112 525936777 /nfs/dbraw/zinc/93/67/77/525936777.db2.gz YSVMYCQCSGPNNS-CQSZACIVSA-N 0 0 321.417 3.097 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CSC1(C)C ZINC000338479490 525974391 /nfs/dbraw/zinc/97/43/91/525974391.db2.gz RYJNQPGTUMABLD-HNNXBMFYSA-N 0 0 317.458 3.180 20 10 DGCDRN Cc1cnc(CN(Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000180582329 526009337 /nfs/dbraw/zinc/00/93/37/526009337.db2.gz WTJONCBINIDCOV-OAHLLOKOSA-N 0 0 318.442 3.338 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1C[C@H]2CCC[C@@H]2C1 ZINC000121504332 526679598 /nfs/dbraw/zinc/67/95/98/526679598.db2.gz KDJVETJNFOKAFQ-IAGOWNOFSA-N 0 0 311.429 3.004 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000182516350 526686402 /nfs/dbraw/zinc/68/64/02/526686402.db2.gz YXPOYPCNDYMSDO-RRFJBIMHSA-N 0 0 303.402 3.321 20 10 DGCDRN Nc1ccc(CC(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000237904482 527476991 /nfs/dbraw/zinc/47/69/91/527476991.db2.gz VPCJXLBTOSMEKU-YLJYHZDGSA-N 0 0 324.424 3.095 20 10 DGCDRN Nc1ccc(CC(=O)N[C@@H](C2CCCC2)C(F)(F)F)cc1 ZINC000238117289 527478212 /nfs/dbraw/zinc/47/82/12/527478212.db2.gz JNVBLHHTVZHDAH-AWEZNQCLSA-N 0 0 300.324 3.049 20 10 DGCDRN Nc1ccc(CCNC(=O)C2(c3ccccc3)CCCC2)cc1 ZINC000152565178 527479173 /nfs/dbraw/zinc/47/91/73/527479173.db2.gz PSROCKHZBBYHJC-UHFFFAOYSA-N 0 0 308.425 3.440 20 10 DGCDRN Nc1ccc(CCNC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)cc1 ZINC000152520889 527480893 /nfs/dbraw/zinc/48/08/93/527480893.db2.gz MICSEMYFWPJJEC-ZIAGYGMSSA-N 0 0 316.351 3.009 20 10 DGCDRN Nc1ccc(CCNC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)cc1 ZINC000152520780 527480993 /nfs/dbraw/zinc/48/09/93/527480993.db2.gz MICSEMYFWPJJEC-KBPBESRZSA-N 0 0 316.351 3.009 20 10 DGCDRN Nc1ccc(NC(=O)C2(c3cccc(F)c3)CCOCC2)cc1 ZINC000237967900 527491316 /nfs/dbraw/zinc/49/13/16/527491316.db2.gz GBPPUMKTNGXWJX-UHFFFAOYSA-N 0 0 314.360 3.095 20 10 DGCDRN COC1(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CCC1 ZINC000273065007 536534381 /nfs/dbraw/zinc/53/43/81/536534381.db2.gz YGMPWJRKUYOOLN-UHFFFAOYSA-N 0 0 316.445 3.108 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC(=O)C[C@@H]2C)cc1 ZINC000179547629 528305191 /nfs/dbraw/zinc/30/51/91/528305191.db2.gz MMBPZBSXESNPTN-KBXCAEBGSA-N 0 0 316.445 3.154 20 10 DGCDRN CCOc1ccc(NCc2cccc(OCC)c2O)cc1CO ZINC000132258580 528554076 /nfs/dbraw/zinc/55/40/76/528554076.db2.gz FXYAVLMWVSXJLA-UHFFFAOYSA-N 0 0 317.385 3.294 20 10 DGCDRN CCCCSCCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173205634 528733286 /nfs/dbraw/zinc/73/32/86/528733286.db2.gz DFCGQRRLBRMICP-UHFFFAOYSA-N 0 0 322.474 3.401 20 10 DGCDRN CCN1CCN(Cc2c[nH]nc2-c2cccnc2)c2ccccc21 ZINC000180750482 529148472 /nfs/dbraw/zinc/14/84/72/529148472.db2.gz OCLVIDIWJUXXFB-UHFFFAOYSA-N 0 0 319.412 3.318 20 10 DGCDRN CCOCCCCNC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000298969592 535508477 /nfs/dbraw/zinc/50/84/77/535508477.db2.gz NXTLKRLMZIZGCC-UHFFFAOYSA-N 0 0 321.465 3.149 20 10 DGCDRN CCCn1cc(C(=O)N(CC)Cc2ccc(N(C)C)cc2)cn1 ZINC000273012404 535596281 /nfs/dbraw/zinc/59/62/81/535596281.db2.gz VYMNPMPQXYYKAU-UHFFFAOYSA-N 0 0 314.433 3.021 20 10 DGCDRN CCn1nccc1/C=C/C(=O)NCc1c(C)c2ccccc2n1C ZINC000492705938 535845601 /nfs/dbraw/zinc/84/56/01/535845601.db2.gz MUWJXSNTLDCMRG-MDZDMXLPSA-N 0 0 322.412 3.033 20 10 DGCDRN CC[C@H]([NH2+][C@H](COC)[C@H]1CCCO1)c1cccc(Cl)c1[O-] ZINC000286972013 535944646 /nfs/dbraw/zinc/94/46/46/535944646.db2.gz IMJVGBIAAUGUTI-RRFJBIMHSA-N 0 0 313.825 3.280 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)/C=C/c2ccc[nH]2)C2CC2)cc1 ZINC000275646011 536146171 /nfs/dbraw/zinc/14/61/71/536146171.db2.gz BGBHCBHOUHOBNW-KPKJPENVSA-N 0 0 309.413 3.285 20 10 DGCDRN COCc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273391218 536781865 /nfs/dbraw/zinc/78/18/65/536781865.db2.gz KUSGNUZWGPOYED-GFCCVEGCSA-N 0 0 316.357 3.298 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@]2(C)CCCS2)c1 ZINC000273610415 536793475 /nfs/dbraw/zinc/79/34/75/536793475.db2.gz VQWDXPTZMNEXCJ-ZBEGNZNMSA-N 0 0 309.431 3.115 20 10 DGCDRN Cn1cc(-c2c[nH]cc2C(=O)N2CC(C)(C)c3ccccc32)cn1 ZINC000681736527 549246979 /nfs/dbraw/zinc/24/69/79/549246979.db2.gz BZBKXSRQBNXJJZ-UHFFFAOYSA-N 0 0 320.396 3.353 20 10 DGCDRN Cc1noc(OCC(=O)c2cc(C)n(-c3ccccc3)c2C)n1 ZINC000730730932 574534947 /nfs/dbraw/zinc/53/49/47/574534947.db2.gz BQEWWWDZPUUNFF-UHFFFAOYSA-N 0 0 311.341 3.047 20 10 DGCDRN Cn1cc(/C=C/C(=O)N(Cc2cscn2)c2ccccc2)cn1 ZINC000731178257 574544862 /nfs/dbraw/zinc/54/48/62/574544862.db2.gz OHSZOMVFWFTQIF-BQYQJAHWSA-N 0 0 324.409 3.123 20 10 DGCDRN CN(CCOc1ccc(Cl)cc1)C(=O)C1=CC(=O)CS1 ZINC000731863873 574560286 /nfs/dbraw/zinc/56/02/86/574560286.db2.gz IFKIDZVDWDSBOA-UHFFFAOYSA-N 0 0 311.790 3.258 20 10 DGCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)[C@H]1C=CCCC1 ZINC000731845052 574560350 /nfs/dbraw/zinc/56/03/50/574560350.db2.gz PSAXYCBCXSGCTE-AWEZNQCLSA-N 0 0 309.793 3.129 20 10 DGCDRN Cc1ccc(C(=O)[C@H](C)OC(=O)C2=CC(=O)CS2)cc1C ZINC000731912640 574561939 /nfs/dbraw/zinc/56/19/39/574561939.db2.gz WDCKXFLHJTXZCH-NSHDSACASA-N 0 0 304.367 3.499 20 10 DGCDRN O=C(NCc1ncc(-c2ccccc2)o1)C1=CC(=O)CS1 ZINC000732271763 574569859 /nfs/dbraw/zinc/56/98/59/574569859.db2.gz RLJVEPYWADBTTQ-UHFFFAOYSA-N 0 0 300.339 3.039 20 10 DGCDRN O=C(NCCc1ccccc1C(F)(F)F)C1=CC(=O)CS1 ZINC000732276998 574570160 /nfs/dbraw/zinc/57/01/60/574570160.db2.gz ZZWFKFUDQLPITD-UHFFFAOYSA-N 0 0 315.316 3.445 20 10 DGCDRN O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)C1=CC(=O)CS1 ZINC000732276932 574570301 /nfs/dbraw/zinc/57/03/01/574570301.db2.gz WYWGROKRXWWGLC-HIFRSBDPSA-N 0 0 321.373 3.243 20 10 DGCDRN COc1ccc(C(C)(C)CNC(=O)C2=CC(=O)CS2)cc1 ZINC000732279543 574570646 /nfs/dbraw/zinc/57/06/46/574570646.db2.gz UXOWTHFOAGFBAJ-UHFFFAOYSA-N 0 0 305.399 3.170 20 10 DGCDRN O=C(NCCCc1c[nH]c2ccccc12)C1=CC(=O)CS1 ZINC000732290547 574571214 /nfs/dbraw/zinc/57/12/14/574571214.db2.gz YZKOXVVNPUVZRW-UHFFFAOYSA-N 0 0 300.383 3.298 20 10 DGCDRN Cc1ccc(NC(=O)[C@H](C)OC(=O)C2=CC(=O)CS2)cc1C ZINC000732354620 574572354 /nfs/dbraw/zinc/57/23/54/574572354.db2.gz ORLBZEJIIHJNEB-NSHDSACASA-N 0 0 319.382 3.255 20 10 DGCDRN CC(C)c1cccc(NC(=O)COC(=O)C2=CC(=O)CS2)c1 ZINC000732354259 574572374 /nfs/dbraw/zinc/57/23/74/574572374.db2.gz IIHXHVPDQHTSOM-UHFFFAOYSA-N 0 0 319.382 3.373 20 10 DGCDRN C[C@@H](CC(=O)N(C)Cc1ccccc1O)C(=O)c1ccccc1 ZINC000732827131 574584328 /nfs/dbraw/zinc/58/43/28/574584328.db2.gz AIGSMZMLRUHNDR-AWEZNQCLSA-N 0 0 311.381 3.260 20 10 DGCDRN CC(C)n1cc([C@@H](C)NC(=O)N(C)Cc2ccccc2O)cn1 ZINC000732892298 574586826 /nfs/dbraw/zinc/58/68/26/574586826.db2.gz AKPXLVIZBLHYJS-CYBMUJFWSA-N 0 0 316.405 3.072 20 10 DGCDRN COc1ccc(O)c(CNC(=S)Nc2cccc(C)c2)c1 ZINC000733907101 574642524 /nfs/dbraw/zinc/64/25/24/574642524.db2.gz SRQSYWWFXLCVDB-UHFFFAOYSA-N 0 0 302.399 3.196 20 10 DGCDRN COc1ccc(O)c(CNC(=S)Nc2ccc(C)c(F)c2)c1 ZINC000733907454 574642675 /nfs/dbraw/zinc/64/26/75/574642675.db2.gz WFWUTBNDRXUQLM-UHFFFAOYSA-N 0 0 320.389 3.335 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)Cc1cn[nH]c1 ZINC000733983996 574646717 /nfs/dbraw/zinc/64/67/17/574646717.db2.gz UCORTUKKHWREDN-UHFFFAOYSA-N 0 0 314.414 3.151 20 10 DGCDRN CCOc1ccc(CN[C@@H](CC(C)C)C(=O)OC(C)C)c(O)c1 ZINC000734004685 574646747 /nfs/dbraw/zinc/64/67/47/574646747.db2.gz BQSOBQOGXGDHJS-INIZCTEOSA-N 0 0 323.433 3.247 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2c[nH]cc2-c2ccccc2)c1 ZINC000734016179 574648044 /nfs/dbraw/zinc/64/80/44/574648044.db2.gz FDOZVGLRQXZWNX-UHFFFAOYSA-N 0 0 322.364 3.326 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2ccc(C(F)F)cc2)c1 ZINC000734016798 574648073 /nfs/dbraw/zinc/64/80/73/574648073.db2.gz HIWRGOUQBQJWPL-UHFFFAOYSA-N 0 0 307.296 3.268 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NCC[C@@H]2CCCC[C@H]2C)c1 ZINC000734067053 574649811 /nfs/dbraw/zinc/64/98/11/574649811.db2.gz GGEJIVQOSKRNOJ-KGLIPLIRSA-N 0 0 320.433 3.416 20 10 DGCDRN COc1ccc(N2CCN(c3nc4cc(C)ccc4o3)CC2)cc1 ZINC000734141789 574651289 /nfs/dbraw/zinc/65/12/89/574651289.db2.gz NIDZBGUJGXHZOG-UHFFFAOYSA-N 0 0 323.396 3.471 20 10 DGCDRN Cc1ccccc1CNC(=O)NCc1ccc(N(C)C)cc1C ZINC000734653094 574671477 /nfs/dbraw/zinc/67/14/77/574671477.db2.gz AFLKQQQAIVTQPH-UHFFFAOYSA-N 0 0 311.429 3.369 20 10 DGCDRN Cc1occc1CN(C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000734688071 574672455 /nfs/dbraw/zinc/67/24/55/574672455.db2.gz FVCJLZBZEIXDFH-UHFFFAOYSA-N 0 0 315.417 3.304 20 10 DGCDRN COc1ccccc1NC(=S)NNc1c(F)cccc1F ZINC000735627112 574709267 /nfs/dbraw/zinc/70/92/67/574709267.db2.gz SHINXCQWDQZPBT-UHFFFAOYSA-N 0 0 309.341 3.287 20 10 DGCDRN CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)NCc1ccccc1O ZINC000735754725 574714426 /nfs/dbraw/zinc/71/44/26/574714426.db2.gz AFGYNHCHFOLFME-GOEBONIOSA-N 0 0 320.433 3.033 20 10 DGCDRN Cc1cc(C(=O)N(C)c2cccc(C)n2)c(C)n1-c1ccccn1 ZINC000735812689 574715013 /nfs/dbraw/zinc/71/50/13/574715013.db2.gz QHAXMOQEGDNXAR-UHFFFAOYSA-N 0 0 320.396 3.469 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cc3occc3s2)cc1 ZINC000735993099 574726250 /nfs/dbraw/zinc/72/62/50/574726250.db2.gz GAWLKZZUDIGIAY-UHFFFAOYSA-N 0 0 300.383 3.490 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)NCCCSC)cc1 ZINC000736393149 574746985 /nfs/dbraw/zinc/74/69/85/574746985.db2.gz ZKOHYYJDDRCDJX-UHFFFAOYSA-N 0 0 323.506 3.427 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1c[nH]c(-c2ccccc2)n1 ZINC000736673134 574802291 /nfs/dbraw/zinc/80/22/91/574802291.db2.gz PNPRYZWLHKGMBV-UHFFFAOYSA-N 0 0 307.353 3.055 20 10 DGCDRN CC[C@@]([NH2+]Cc1ccc2c(c1)CCO2)(C(=O)[O-])c1ccccc1 ZINC000736919526 574810851 /nfs/dbraw/zinc/81/08/51/574810851.db2.gz AZMZRKPRCABYMS-IBGZPJMESA-N 0 0 311.381 3.101 20 10 DGCDRN C[N@H+](Cc1ccccc1O)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737493656 574848243 /nfs/dbraw/zinc/84/82/43/574848243.db2.gz HEZQYDCNWSTRSR-OAHLLOKOSA-N 0 0 305.761 3.303 20 10 DGCDRN CCOc1ccc(N(C)C[C@H](O)COc2cccc(C)c2)cc1 ZINC000740423935 574933510 /nfs/dbraw/zinc/93/35/10/574933510.db2.gz WWFQAJPAFWNHIC-KRWDZBQOSA-N 0 0 315.413 3.270 20 10 DGCDRN Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2C)c(Cl)c1 ZINC000740701195 574939721 /nfs/dbraw/zinc/93/97/21/574939721.db2.gz ZICKFWCYRFKLHO-UHFFFAOYSA-N 0 0 311.790 3.463 20 10 DGCDRN CCN(CC)c1ccc(CNc2ccnc(N(C)C)n2)cc1F ZINC000740868820 574944230 /nfs/dbraw/zinc/94/42/30/574944230.db2.gz QPGNDUTXHZVKDQ-UHFFFAOYSA-N 0 0 317.412 3.140 20 10 DGCDRN C[C@H]1C[C@H](C)N(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000741082521 574950828 /nfs/dbraw/zinc/95/08/28/574950828.db2.gz KXTPFPRMEOEGJV-KBPBESRZSA-N 0 0 301.434 3.009 20 10 DGCDRN Cc1ccc([C@H](O)C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])o1 ZINC000741262236 574954625 /nfs/dbraw/zinc/95/46/25/574954625.db2.gz UWHKFWHQXXCXOL-GFCCVEGCSA-N 0 0 316.184 3.424 20 10 DGCDRN C[C@@H](OCC1CC1)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000742468299 575001777 /nfs/dbraw/zinc/00/17/77/575001777.db2.gz BGYLBUUZDOHGLA-OAHLLOKOSA-N 0 0 316.445 3.108 20 10 DGCDRN Cc1cc(C(=O)N[C@H]2CCSC2)c(C)n1-c1ccc(F)cc1 ZINC000742777831 575018908 /nfs/dbraw/zinc/01/89/08/575018908.db2.gz HGIVMQMDCGSNAZ-AWEZNQCLSA-N 0 0 318.417 3.469 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CC[C@H]1CC[C@H](C)O1 ZINC000743293414 575041998 /nfs/dbraw/zinc/04/19/98/575041998.db2.gz YSNWNTFJLZCCAH-MAUKXSAKSA-N 0 0 318.461 3.449 20 10 DGCDRN O=C(NCc1ccccc1O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000743328805 575043238 /nfs/dbraw/zinc/04/32/38/575043238.db2.gz VPUMGGMPOSLVIV-CHWSQXEVSA-N 0 0 303.308 3.090 20 10 DGCDRN O=C(NCc1ccccc1O)c1c[nH]cc1-c1ccc(F)cc1 ZINC000743326123 575043337 /nfs/dbraw/zinc/04/33/37/575043337.db2.gz BMUHMMINGBETSD-UHFFFAOYSA-N 0 0 310.328 3.456 20 10 DGCDRN CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NCc1ccccc1O ZINC000743328380 575043433 /nfs/dbraw/zinc/04/34/33/575043433.db2.gz SRIFVBUWUBWWOZ-KMFMINBZSA-N 0 0 305.418 3.382 20 10 DGCDRN COC(=O)[C@@H](NCc1ccc(OC)c(C)c1)c1ccccc1F ZINC000743475761 575053568 /nfs/dbraw/zinc/05/35/68/575053568.db2.gz YAAZCMHJBRCMHY-KRWDZBQOSA-N 0 0 317.360 3.147 20 10 DGCDRN C[C@@H]1CCC[C@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743590334 575057985 /nfs/dbraw/zinc/05/79/85/575057985.db2.gz FQJOVMULGYPRNW-MLGOLLRUSA-N 0 0 302.418 3.259 20 10 DGCDRN O=[N+]([O-])c1cc(CNCC(F)(F)F)ccc1N1CCCCC1 ZINC000743619106 575059045 /nfs/dbraw/zinc/05/90/45/575059045.db2.gz KECDZKVVQVZWFV-UHFFFAOYSA-N 0 0 317.311 3.237 20 10 DGCDRN O=C(NCCCC1CC1)NCc1c(O)ccc2c1CCCC2 ZINC000743622112 575059249 /nfs/dbraw/zinc/05/92/49/575059249.db2.gz WXPYWHFYXPSMKQ-UHFFFAOYSA-N 0 0 302.418 3.260 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)NCC(C)(C)OC)cc1 ZINC000743674654 575060405 /nfs/dbraw/zinc/06/04/05/575060405.db2.gz JXISSWXPZDSDNB-UHFFFAOYSA-N 0 0 321.465 3.099 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)C1(C(F)(F)F)CC1 ZINC000743718945 575062138 /nfs/dbraw/zinc/06/21/38/575062138.db2.gz PACMVTSUYIPJCF-UHFFFAOYSA-N 0 0 313.319 3.230 20 10 DGCDRN CCCCSCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743718868 575062197 /nfs/dbraw/zinc/06/21/97/575062197.db2.gz SPXPPPWPYKGIEJ-UHFFFAOYSA-N 0 0 307.459 3.421 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cc(F)cc(F)c1 ZINC000743719813 575062589 /nfs/dbraw/zinc/06/25/89/575062589.db2.gz VDVQBIRYXJZHPV-UHFFFAOYSA-N 0 0 317.335 3.479 20 10 DGCDRN CC[C@](C)(O)CNC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC000743759188 575062762 /nfs/dbraw/zinc/06/27/62/575062762.db2.gz QDMITCNMJDFVQD-IBGZPJMESA-N 0 0 314.429 3.293 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2scnc2Cl)c1 ZINC000728983363 575199188 /nfs/dbraw/zinc/19/91/88/575199188.db2.gz YQPLVAFYDNSBNM-ZETCQYMHSA-N 0 0 312.778 3.002 20 10 DGCDRN COCc1ccccc1C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000729277894 575231743 /nfs/dbraw/zinc/23/17/43/575231743.db2.gz ISHKNCMWRBSMGL-GFCCVEGCSA-N 0 0 315.369 3.038 20 10 DGCDRN CCC/C=C/C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000729359932 575237931 /nfs/dbraw/zinc/23/79/31/575237931.db2.gz MPDIGDGZFLQKGE-AATRIKPKSA-N 0 0 302.418 3.137 20 10 DGCDRN COc1ccc2c(c1)CCCN2CC[S@](=O)c1ccccc1 ZINC000729470406 575251277 /nfs/dbraw/zinc/25/12/77/575251277.db2.gz MSMUDNJKHGRDNM-QFIPXVFZSA-N 0 0 315.438 3.256 20 10 DGCDRN CCN(CC(=O)N[C@H]1CCCC[C@@H]1C)c1ccc(OC)cc1 ZINC000746109775 575433167 /nfs/dbraw/zinc/43/31/67/575433167.db2.gz VLIICXSQRWKNHS-YOEHRIQHSA-N 0 0 304.434 3.216 20 10 DGCDRN C[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)c1cccnc1 ZINC000746172306 575438366 /nfs/dbraw/zinc/43/83/66/575438366.db2.gz KCVVVHLRWLCRFU-INIZCTEOSA-N 0 0 323.440 3.492 20 10 DGCDRN COCCN(CCc1ccccc1)c1ccc(OC)c(OC)c1 ZINC000746478113 575454842 /nfs/dbraw/zinc/45/48/42/575454842.db2.gz NQQTTYQORZDNRR-UHFFFAOYSA-N 0 0 315.413 3.399 20 10 DGCDRN COc1ccc(N(CC(=O)N2CCCC[C@@H]2C)C(C)C)cc1F ZINC000746667062 575468329 /nfs/dbraw/zinc/46/83/29/575468329.db2.gz UWIYGAMZRSNEPX-AWEZNQCLSA-N 0 0 322.424 3.450 20 10 DGCDRN C[C@H](Oc1ccccc1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000746809349 575476005 /nfs/dbraw/zinc/47/60/05/575476005.db2.gz WFCMNWSXXNWSFR-HNNXBMFYSA-N 0 0 324.424 3.153 20 10 DGCDRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)C1=CC(=O)CS1 ZINC000746893565 575482775 /nfs/dbraw/zinc/48/27/75/575482775.db2.gz CMEHRMHHLJHYCC-CHNSCGDPSA-N 0 0 323.439 3.024 20 10 DGCDRN CC(C)OC(=O)c1ccc(COC(=O)C2=CC(=O)CS2)cc1 ZINC000747055572 575493443 /nfs/dbraw/zinc/49/34/43/575493443.db2.gz WANFPHMANDBMQQ-UHFFFAOYSA-N 0 0 320.366 3.376 20 10 DGCDRN CCc1ncsc1NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000747376283 575515267 /nfs/dbraw/zinc/51/52/67/575515267.db2.gz UGMBQRCXRWWCFJ-SECBINFHSA-N 0 0 321.402 3.302 20 10 DGCDRN Fc1cccc(CNC(=S)Nc2ccc(F)c(Cl)c2)n1 ZINC000747719702 575535616 /nfs/dbraw/zinc/53/56/16/575535616.db2.gz AYFJUIUHWALOAB-UHFFFAOYSA-N 0 0 313.760 3.500 20 10 DGCDRN CN1CCCc2cc([C@@H]3Nc4cc(F)ccc4C(=O)N3)ccc21 ZINC000748095296 575561041 /nfs/dbraw/zinc/56/10/41/575561041.db2.gz AAGKGQSUMKFJPQ-QGZVFWFLSA-N 0 0 311.360 3.062 20 10 DGCDRN O=C(NCc1ccccc1O)c1cc(-c2cccc(F)c2)no1 ZINC000748344841 575581491 /nfs/dbraw/zinc/58/14/91/575581491.db2.gz CYTHHZSRIRROPW-UHFFFAOYSA-N 0 0 312.300 3.116 20 10 DGCDRN O=C(NCc1ccccc1O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000748345383 575581752 /nfs/dbraw/zinc/58/17/52/575581752.db2.gz BEXUKTVUWBREDF-GJZGRUSLSA-N 0 0 301.773 3.466 20 10 DGCDRN CCc1c(C(=O)NCc2ccccc2O)cnn1-c1ccccc1 ZINC000748346658 575581760 /nfs/dbraw/zinc/58/17/60/575581760.db2.gz RJQOIJQATONRJD-UHFFFAOYSA-N 0 0 321.380 3.070 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1ccccc1Br ZINC000748439079 575586278 /nfs/dbraw/zinc/58/62/78/575586278.db2.gz UCLPVIDTCRQCAV-UHFFFAOYSA-N 0 0 321.174 3.476 20 10 DGCDRN CCOc1ccc(NC(=O)NCc2ccccc2O)cc1OC ZINC000748443506 575586886 /nfs/dbraw/zinc/58/68/86/575586886.db2.gz PYIFUSVSBYCVJW-UHFFFAOYSA-N 0 0 316.357 3.121 20 10 DGCDRN Cc1nc(-c2ccccc2NC(=O)NCc2ccccc2O)no1 ZINC000748446081 575586926 /nfs/dbraw/zinc/58/69/26/575586926.db2.gz CEHSZTAIDFYHIV-UHFFFAOYSA-N 0 0 324.340 3.072 20 10 DGCDRN Cc1ccc(SCCNC(=O)NCc2ccccc2O)cc1 ZINC000748459378 575587982 /nfs/dbraw/zinc/58/79/82/575587982.db2.gz GKDUEDYLELPFLU-UHFFFAOYSA-N 0 0 316.426 3.292 20 10 DGCDRN O=C(NCc1ccccc1O)NCC1(c2ccccc2)CCC1 ZINC000748463426 575588650 /nfs/dbraw/zinc/58/86/50/575588650.db2.gz PQTNQYIDQJHEMV-UHFFFAOYSA-N 0 0 310.397 3.313 20 10 DGCDRN Cc1nc(Cl)sc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000748541482 575592759 /nfs/dbraw/zinc/59/27/59/575592759.db2.gz JSFQNNVAPIHRKQ-UHFFFAOYSA-N 0 0 323.849 3.409 20 10 DGCDRN O=C(/C=C\c1cncc(F)c1)N1CCCc2c(F)cccc21 ZINC000748564461 575593996 /nfs/dbraw/zinc/59/39/96/575593996.db2.gz IQAWKYZKKIVLLC-SREVYHEPSA-N 0 0 300.308 3.352 20 10 DGCDRN CCC1(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000749351430 575646946 /nfs/dbraw/zinc/64/69/46/575646946.db2.gz WVPRAHXNPVZGCP-UHFFFAOYSA-N 0 0 304.459 3.046 20 10 DGCDRN COCCN(Cc1cnccc1C)c1ccc(OC)c(OC)c1 ZINC000749352731 575647069 /nfs/dbraw/zinc/64/70/69/575647069.db2.gz PCYSRDQLIFSCFH-UHFFFAOYSA-N 0 0 316.401 3.060 20 10 DGCDRN Cc1cc(C(=O)NCC[C@@H](C)O)c(C)n1-c1cc(C)cc(C)c1 ZINC000749393515 575651391 /nfs/dbraw/zinc/65/13/91/575651391.db2.gz MYPYNDVKHJJZCV-OAHLLOKOSA-N 0 0 314.429 3.212 20 10 DGCDRN c1ccc(-c2noc(COc3ccc(N4CCCC4)cc3)n2)nc1 ZINC000749789899 575678435 /nfs/dbraw/zinc/67/84/35/575678435.db2.gz DMLXHPGPBAZOLO-UHFFFAOYSA-N 0 0 322.368 3.311 20 10 DGCDRN COC[C@@H](NC(=O)c1sccc1-n1c(C)ccc1C)C1CC1 ZINC000750167601 575709846 /nfs/dbraw/zinc/70/98/46/575709846.db2.gz ZDHMNMBTPGXTBC-CQSZACIVSA-N 0 0 318.442 3.310 20 10 DGCDRN CCC[C@@H](O)CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000750234763 575712917 /nfs/dbraw/zinc/71/29/17/575712917.db2.gz WSKQGKZKSBUAEK-QGZVFWFLSA-N 0 0 306.450 3.041 20 10 DGCDRN CC(C)CONC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000750470625 575729563 /nfs/dbraw/zinc/72/95/63/575729563.db2.gz XTOLMXLWIPOUPY-UHFFFAOYSA-N 0 0 307.438 3.260 20 10 DGCDRN CC(C)=C(C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000751362334 575781548 /nfs/dbraw/zinc/78/15/48/575781548.db2.gz SXSOEUBXRVMQOL-HNNXBMFYSA-N 0 0 302.418 3.057 20 10 DGCDRN CCc1cccc(CC(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000751972486 575815788 /nfs/dbraw/zinc/81/57/88/575815788.db2.gz DDIBWXMGHSAJKM-UHFFFAOYSA-N 0 0 310.441 3.482 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@H](C)[C@H](C)C2)cc1 ZINC000752005456 575817535 /nfs/dbraw/zinc/81/75/35/575817535.db2.gz QOINQFPAPWLRJI-GASCZTMLSA-N 0 0 303.450 3.330 20 10 DGCDRN COC(=O)c1ccc(CN(C)c2ccc(OC)cc2OC)cc1 ZINC000752114836 575823794 /nfs/dbraw/zinc/82/37/94/575823794.db2.gz VGAYPKJDDAFVFM-UHFFFAOYSA-N 0 0 315.369 3.127 20 10 DGCDRN COc1ccc(N(C)Cc2ccccc2N(C)C)c(OC)c1 ZINC000752126469 575824284 /nfs/dbraw/zinc/82/42/84/575824284.db2.gz ZMCPOGIUNDVJAM-UHFFFAOYSA-N 0 0 300.402 3.406 20 10 DGCDRN CC(C)C[C@@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000752214828 575826706 /nfs/dbraw/zinc/82/67/06/575826706.db2.gz ZCQFAXLUVCEBOC-CQSZACIVSA-N 0 0 303.450 3.303 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nc1ccnn1C ZINC000726532741 576029697 /nfs/dbraw/zinc/02/96/97/576029697.db2.gz ISAOXUCCTUQYOU-UHFFFAOYSA-N 0 0 308.385 3.388 20 10 DGCDRN COC(=O)/C(C)=C\CN1CCCc2cc(OC(F)F)ccc21 ZINC000748814309 576084665 /nfs/dbraw/zinc/08/46/65/576084665.db2.gz ZBSKWYGINOXMQH-XFFZJAGNSA-N 0 0 311.328 3.160 20 10 DGCDRN O=C(NCc1ccccc1O)c1[nH]c2ccccc2c1Cl ZINC000748842121 576085117 /nfs/dbraw/zinc/08/51/17/576085117.db2.gz XLYYKBVKUMBGGG-UHFFFAOYSA-N 0 0 300.745 3.457 20 10 DGCDRN Cc1ccc(C(=O)OCc2cccc(OC(F)F)c2)c(O)c1O ZINC000727003945 576093144 /nfs/dbraw/zinc/09/31/44/576093144.db2.gz FYBOQYLYUAICFS-UHFFFAOYSA-N 0 0 324.279 3.365 20 10 DGCDRN Cc1ccc(C(=O)OCCO[C@H]2CCCC[C@@H]2C)c(O)c1O ZINC000727004061 576093794 /nfs/dbraw/zinc/09/37/94/576093794.db2.gz MBUFOYVZWIXESH-FZMZJTMJSA-N 0 0 308.374 3.158 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N3CCC(C)(C)CC3)ccc21 ZINC000727032617 576096712 /nfs/dbraw/zinc/09/67/12/576096712.db2.gz LTIBOGIXRGNRBE-UHFFFAOYSA-N 0 0 315.461 3.401 20 10 DGCDRN CCN(C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C(C)C ZINC000727239744 576115122 /nfs/dbraw/zinc/11/51/22/576115122.db2.gz LTJQFSCHURIGFV-OAHLLOKOSA-N 0 0 319.449 3.024 20 10 DGCDRN Cc1cc(O)c(C[N@@H+]2CCSC[C@H]2CC(=O)[O-])cc1C(C)C ZINC000738464053 576150733 /nfs/dbraw/zinc/15/07/33/576150733.db2.gz YWWMJCIBEUWZBQ-CQSZACIVSA-N 0 0 323.458 3.216 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000728196874 576167870 /nfs/dbraw/zinc/16/78/70/576167870.db2.gz PXCRECPCJSIPIV-CYBMUJFWSA-N 0 0 311.381 3.171 20 10 DGCDRN CC(=C\c1ccccc1)/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000728696738 576195624 /nfs/dbraw/zinc/19/56/24/576195624.db2.gz BPZSSABPRQNAQV-PZAFVPBJSA-N 0 0 304.349 3.094 20 10 DGCDRN CCNC(=S)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000728791311 576204130 /nfs/dbraw/zinc/20/41/30/576204130.db2.gz CDMXCXMFLUSRGY-UHFFFAOYSA-N 0 0 319.396 3.011 20 10 DGCDRN C[C@H]1C[C@H](C)CN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000916587451 620637369 /nfs/dbraw/zinc/63/73/69/620637369.db2.gz IAQIONZDMKNOTK-HOTGVXAUSA-N 0 0 315.461 3.474 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C(C)C)C2CC2)c1 ZINC000852649644 620637552 /nfs/dbraw/zinc/63/75/52/620637552.db2.gz RDCLKFLHFFQNHR-ZBEGNZNMSA-N 0 0 306.406 3.196 20 10 DGCDRN COC[C@@](C)(NCc1ccc(N(C)C)c(C)c1)C(F)(F)F ZINC000852717786 620642512 /nfs/dbraw/zinc/64/25/12/620642512.db2.gz JPOYOCRYGXCYQG-CQSZACIVSA-N 0 0 304.356 3.118 20 10 DGCDRN CCN(C)c1ccc(CN[C@@](C)(COC)C(F)(F)F)cc1 ZINC000852719263 620642567 /nfs/dbraw/zinc/64/25/67/620642567.db2.gz XYWPYSPSJMQPDN-AWEZNQCLSA-N 0 0 304.356 3.200 20 10 DGCDRN CC(C)CCC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000917386663 620667439 /nfs/dbraw/zinc/66/74/39/620667439.db2.gz RYTJZYUSAQFZEO-UHFFFAOYSA-N 0 0 306.475 3.292 20 10 DGCDRN C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+](C)Cc1ccccc1O ZINC000111235924 620684933 /nfs/dbraw/zinc/68/49/33/620684933.db2.gz OUVNTVASHQBXAA-HUUCEWRRSA-N 0 0 324.424 3.190 20 10 DGCDRN CCN(CC)c1ccc(CNc2cc(CO)c(F)cn2)cc1F ZINC000853302213 620685541 /nfs/dbraw/zinc/68/55/41/620685541.db2.gz ACMIAGNUNVUYRL-UHFFFAOYSA-N 0 0 321.371 3.310 20 10 DGCDRN COC(=O)c1ccc(Sc2ncc(C(C)(C)C)s2)nn1 ZINC000853447090 620695678 /nfs/dbraw/zinc/69/56/78/620695678.db2.gz QTIAOTAWZMVMCQ-UHFFFAOYSA-N 0 0 309.416 3.168 20 10 DGCDRN Cc1cc(Cn2ccnc2[N+](=O)[O-])ccc1N1CCCCC1 ZINC000918387317 620706690 /nfs/dbraw/zinc/70/66/90/620706690.db2.gz OCFFPFPWFFFWMY-UHFFFAOYSA-N 0 0 300.362 3.138 20 10 DGCDRN COc1ccc(N2CC[C@@H](Nc3cc(Cl)nc(C)n3)C2)cc1 ZINC000853759270 620734407 /nfs/dbraw/zinc/73/44/07/620734407.db2.gz QMTCWSCGZVJMDA-GFCCVEGCSA-N 0 0 318.808 3.138 20 10 DGCDRN COC[C@H](COc1ccc(N2CCCCC2)c(Cl)c1)OC ZINC000853725377 620729905 /nfs/dbraw/zinc/72/99/05/620729905.db2.gz PNYXOADWSBARLG-CQSZACIVSA-N 0 0 313.825 3.371 20 10 DGCDRN COc1ccc(N2CC[C@@H](Nc3ccsc3[N+](=O)[O-])C2)cc1 ZINC000853758854 620734523 /nfs/dbraw/zinc/73/45/23/620734523.db2.gz LGKOPDPMGZTNCJ-LLVKDONJSA-N 0 0 319.386 3.356 20 10 DGCDRN CCc1csc(N[C@@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000853758617 620734533 /nfs/dbraw/zinc/73/45/33/620734533.db2.gz IKDSMUAFNKUHIO-CYBMUJFWSA-N 0 0 303.431 3.405 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC(C)(C1CC1)C1CC1 ZINC000853748435 620732431 /nfs/dbraw/zinc/73/24/31/620732431.db2.gz FTCTVTBUHYYVAH-UHFFFAOYSA-N 0 0 315.461 3.439 20 10 DGCDRN COc1cc(O)c(CN2CCOc3cc(C)ccc32)cc1OC ZINC000154896807 620736168 /nfs/dbraw/zinc/73/61/68/620736168.db2.gz VDTQRGACYKCPIB-UHFFFAOYSA-N 0 0 315.369 3.117 20 10 DGCDRN Cc1ncccc1/C=C\C(=O)N1CC2(CC2)Oc2ccccc21 ZINC000890619337 617627307 /nfs/dbraw/zinc/62/73/07/617627307.db2.gz PZTLQMLRSRXSMT-HJWRWDBZSA-N 0 0 306.365 3.361 20 10 DGCDRN C[C@@H]1CCC[C@@H](OCC(=O)NCc2cccc(Cl)c2O)C1 ZINC000890760552 617657197 /nfs/dbraw/zinc/65/71/97/617657197.db2.gz SXMJHTNPLMYZPH-DGCLKSJQSA-N 0 0 311.809 3.257 20 10 DGCDRN CCc1noc(CC)c1CC(=O)NCc1cccc(Cl)c1O ZINC000890760806 617657245 /nfs/dbraw/zinc/65/72/45/617657245.db2.gz ZJVDQLBTCSPNQA-UHFFFAOYSA-N 0 0 322.792 3.017 20 10 DGCDRN CCc1nccn1[C@@H](C)CC(=O)NCc1cccc(Cl)c1O ZINC000890761667 617657797 /nfs/dbraw/zinc/65/77/97/617657797.db2.gz VKIONCLNNDZOGZ-NSHDSACASA-N 0 0 321.808 3.072 20 10 DGCDRN CCn1nc(C(=O)NCc2cccc(Cl)c2O)cc1C1CC1 ZINC000890762821 617658539 /nfs/dbraw/zinc/65/85/39/617658539.db2.gz JVWYCXRVKYQBMP-UHFFFAOYSA-N 0 0 319.792 3.069 20 10 DGCDRN CC(C)(C(=O)NCc1cc(Br)ccc1O)C(F)F ZINC000804735792 617662195 /nfs/dbraw/zinc/66/21/95/617662195.db2.gz IZMRHSHUBCQLNH-UHFFFAOYSA-N 0 0 322.149 3.062 20 10 DGCDRN CC[C@H](C)CC(=O)NCc1cc(Br)ccc1O ZINC000804738320 617662420 /nfs/dbraw/zinc/66/24/20/617662420.db2.gz LVKIREZOMCFKRF-VIFPVBQESA-N 0 0 300.196 3.207 20 10 DGCDRN C[C@@H]1CC[C@@H](C(=O)NCc2cc(Br)ccc2O)C1 ZINC000804738328 617662483 /nfs/dbraw/zinc/66/24/83/617662483.db2.gz MCWVHKQOTUQCEX-NXEZZACHSA-N 0 0 312.207 3.207 20 10 DGCDRN Cc1cc(C)nc(NCc2cc(Br)ccc2O)n1 ZINC000804827757 617679578 /nfs/dbraw/zinc/67/95/78/617679578.db2.gz DVVVOZGNHRMFCE-UHFFFAOYSA-N 0 0 308.179 3.174 20 10 DGCDRN CCc1cc(NCc2cc(Br)ccc2O)ncn1 ZINC000804828512 617680257 /nfs/dbraw/zinc/68/02/57/617680257.db2.gz QRQOTGMAAUKLJQ-UHFFFAOYSA-N 0 0 308.179 3.119 20 10 DGCDRN CCc1csc(NCc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000853955513 620756829 /nfs/dbraw/zinc/75/68/29/620756829.db2.gz PWKPIVRYQXUYAZ-UHFFFAOYSA-N 0 0 317.458 3.279 20 10 DGCDRN Cc1cnc(NCc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000853955047 620757020 /nfs/dbraw/zinc/75/70/20/620757020.db2.gz BXACFPUZZAAUST-UHFFFAOYSA-N 0 0 303.431 3.025 20 10 DGCDRN Cc1noc(C(C)C)c1NC(=O)NCCc1ccc(N)cc1 ZINC000926203030 617858793 /nfs/dbraw/zinc/85/87/93/617858793.db2.gz HSBAHJYLFWWGOH-UHFFFAOYSA-N 0 0 302.378 3.053 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000892004338 617943309 /nfs/dbraw/zinc/94/33/09/617943309.db2.gz HTUXEPJANKFWRL-CGTJXYLNSA-N 0 0 313.445 3.275 20 10 DGCDRN CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000840540685 618001442 /nfs/dbraw/zinc/00/14/42/618001442.db2.gz WFUOMFFEKXQOMA-VNAHCXKQSA-N 0 0 303.402 3.442 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2CC23CC(O)C3)c(C)n1-c1ccccc1C ZINC000888974578 618034138 /nfs/dbraw/zinc/03/41/38/618034138.db2.gz HHPCLPXIYWWWHY-RVSXGSNBSA-N 0 0 324.424 3.046 20 10 DGCDRN COc1ccc([C@@H](C)NC(=O)NCc2ccccc2O)cc1C ZINC000892527604 618099879 /nfs/dbraw/zinc/09/98/79/618099879.db2.gz SIQCTIVXQMQDMZ-CYBMUJFWSA-N 0 0 314.385 3.270 20 10 DGCDRN CN(C(=O)C1=CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccsc1 ZINC000892559702 618108788 /nfs/dbraw/zinc/10/87/88/618108788.db2.gz MJRDDFDOKMFGNZ-LBPRGKRZSA-N 0 0 322.430 3.324 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ccc(Br)nn1 ZINC000892563644 618109783 /nfs/dbraw/zinc/10/97/83/618109783.db2.gz FIYCLBVSDFIDCU-UHFFFAOYSA-N 0 0 321.222 3.226 20 10 DGCDRN CCOCCCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000854178750 620779870 /nfs/dbraw/zinc/77/98/70/620779870.db2.gz SGASDIQHTXTVIO-UHFFFAOYSA-N 0 0 314.429 3.179 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC[C@@H](C)C2CC2)cc1 ZINC000920053907 620780125 /nfs/dbraw/zinc/78/01/25/620780125.db2.gz KIHAOFSQPMBDAW-CQSZACIVSA-N 0 0 303.450 3.378 20 10 DGCDRN CN(C)c1ccc(/C=C/C[NH+]2CCC(CCC(=O)[O-])CC2)cc1 ZINC000854240967 620786890 /nfs/dbraw/zinc/78/68/90/620786890.db2.gz GEWPGVGISCSLNM-ONEGZZNKSA-N 0 0 316.445 3.343 20 10 DGCDRN C[NH2+]C[C@H](C)N[C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000854232448 620786905 /nfs/dbraw/zinc/78/69/05/620786905.db2.gz QDEZLMZXQQHKJK-JGVFFNPUSA-N 0 0 321.646 3.067 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCCC1CC(OC)C1 ZINC000854249783 620788349 /nfs/dbraw/zinc/78/83/49/620788349.db2.gz GZUKISBSDLFLCU-UHFFFAOYSA-N 0 0 320.433 3.129 20 10 DGCDRN CCCC(C)(C)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854300884 620792408 /nfs/dbraw/zinc/79/24/08/620792408.db2.gz CLKJDLXNHVQIGZ-CQSZACIVSA-N 0 0 319.449 3.152 20 10 DGCDRN CCOc1ccc(C[NH2+]C[C@H](CC(=O)[O-])CC(C)C)c(O)c1 ZINC000854244082 620787780 /nfs/dbraw/zinc/78/77/80/620787780.db2.gz OXSKCKLZXHJQHT-ZDUSSCGKSA-N 0 0 309.406 3.018 20 10 DGCDRN COc1ccc(N(C)Cc2cc(C)cc(OC)c2O)cc1OC ZINC000894461155 618341795 /nfs/dbraw/zinc/34/17/95/618341795.db2.gz BHQHEMRFLZXWQW-UHFFFAOYSA-N 0 0 317.385 3.363 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ncnc2[nH]ccc21 ZINC000854374389 620798648 /nfs/dbraw/zinc/79/86/48/620798648.db2.gz SKEJBQHOJJGSOP-UHFFFAOYSA-N 0 0 324.384 3.058 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Cc1cscn1 ZINC000854374461 620798759 /nfs/dbraw/zinc/79/87/59/620798759.db2.gz UTGUQFSNZRDAJL-UHFFFAOYSA-N 0 0 304.415 3.220 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H](OC)C1 ZINC000854374871 620798969 /nfs/dbraw/zinc/79/89/69/620798969.db2.gz ZNTSDHKCQLLJEM-ZBFHGGJFSA-N 0 0 305.418 3.336 20 10 DGCDRN COc1ccc(CNc2ccc3c(c2)CCCO3)c(O)c1OC ZINC000893374283 618535598 /nfs/dbraw/zinc/53/55/98/618535598.db2.gz NPGHUYXKIRESJV-UHFFFAOYSA-N 0 0 315.369 3.347 20 10 DGCDRN CCn1cc(C[N@H+](Cc2cc(F)cc(F)c2[O-])C(C)C)cn1 ZINC000895139258 618550099 /nfs/dbraw/zinc/55/00/99/618550099.db2.gz ACLZSXIVLLBNER-UHFFFAOYSA-N 0 0 309.360 3.297 20 10 DGCDRN Cc1cc(O)c(CN2C[C@@]3(CCCO3)[C@H]2C2CC2)c(Cl)c1 ZINC000840948963 618620982 /nfs/dbraw/zinc/62/09/82/618620982.db2.gz KEESNJOCOFMNKF-SJORKVTESA-N 0 0 307.821 3.497 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000840958107 618634392 /nfs/dbraw/zinc/63/43/92/618634392.db2.gz NOCJKOSOCYOZGS-GDBMZVCRSA-N 0 0 303.789 3.354 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CS[C@H](C)C2)c1 ZINC000840958060 618634451 /nfs/dbraw/zinc/63/44/51/618634451.db2.gz IDCOUISFCWWZPA-MWLCHTKSSA-N 0 0 316.264 3.447 20 10 DGCDRN Cc1ccc(O)c(CN([C@H](C)C(=O)OC(C)(C)C)C2CC2)c1 ZINC000840959178 618636506 /nfs/dbraw/zinc/63/65/06/618636506.db2.gz VMZCNTAZQHGCGD-CYBMUJFWSA-N 0 0 305.418 3.395 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)N[C@H]1CCC(F)(F)C1 ZINC000893706541 618646474 /nfs/dbraw/zinc/64/64/74/618646474.db2.gz GUAAUYGSNWMDJS-VIFPVBQESA-N 0 0 304.724 3.033 20 10 DGCDRN CCNC(=O)c1cccc(NCc2cc(C)cc(OC)c2O)c1 ZINC000894115871 618713560 /nfs/dbraw/zinc/71/35/60/618713560.db2.gz JCDOUBWQUNRAQK-UHFFFAOYSA-N 0 0 314.385 3.071 20 10 DGCDRN COc1cc(C)cc(CNc2ccc(N3CCCC3)cn2)c1O ZINC000894200350 618727566 /nfs/dbraw/zinc/72/75/66/618727566.db2.gz RBFKEWBTCZCRAZ-UHFFFAOYSA-N 0 0 313.401 3.317 20 10 DGCDRN C[C@@H](NC(=O)N1CCCSC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000894284988 618752052 /nfs/dbraw/zinc/75/20/52/618752052.db2.gz IEWXBOMZTMKNBB-ZIAGYGMSSA-N 0 0 321.490 3.351 20 10 DGCDRN C[C@@H]1C[C@H](C)CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000895464934 618788188 /nfs/dbraw/zinc/78/81/88/618788188.db2.gz KVCQORIEYQZOMS-AOOOYVTPSA-N 0 0 305.399 3.431 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH+]1CC(CC2CCOCC2)C1 ZINC000895615825 618807417 /nfs/dbraw/zinc/80/74/17/618807417.db2.gz PHPSKRXCINVTMF-UHFFFAOYSA-N 0 0 313.800 3.433 20 10 DGCDRN CCN(Cc1ccccc1)c1ccc(CN[C@H]2CCOC2=O)cc1 ZINC000895794076 618830436 /nfs/dbraw/zinc/83/04/36/618830436.db2.gz RRBUCNGEBYBHHL-IBGZPJMESA-N 0 0 324.424 3.118 20 10 DGCDRN Oc1cccc2c1CN(Cc1csc(C(F)(F)F)n1)C2 ZINC000895785028 618830539 /nfs/dbraw/zinc/83/05/39/618830539.db2.gz NYHXLWGGLQKZJG-UHFFFAOYSA-N 0 0 300.305 3.383 20 10 DGCDRN CCOC(=O)[C@](C)(NCc1cc(F)ccc1O)c1ccccc1 ZINC000895894677 618847197 /nfs/dbraw/zinc/84/71/97/618847197.db2.gz NYNCTTKIOOGEAD-GOSISDBHSA-N 0 0 317.360 3.099 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@H]2CCC3(CCC3)O2)c1 ZINC000896162430 618880299 /nfs/dbraw/zinc/88/02/99/618880299.db2.gz DRJBKJCXWKHORC-GXTWGEPZSA-N 0 0 319.401 3.070 20 10 DGCDRN CN(C)c1c(C[NH2+]Cc2c([O-])cccc2F)ccc(F)c1F ZINC000896642358 618937895 /nfs/dbraw/zinc/93/78/95/618937895.db2.gz QCIPGHALTQKJCN-UHFFFAOYSA-N 0 0 310.319 3.165 20 10 DGCDRN C[C@H]([NH2+]Cc1c([O-])cccc1F)[C@H]1COc2ccccc2C1 ZINC000896642923 618937940 /nfs/dbraw/zinc/93/79/40/618937940.db2.gz SJRRAFITFAELRT-GXTWGEPZSA-N 0 0 301.361 3.261 20 10 DGCDRN [O-]c1cccc(F)c1C[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000896642496 618938011 /nfs/dbraw/zinc/93/80/11/618938011.db2.gz YDQMRXVTVLWASV-AWEZNQCLSA-N 0 0 308.378 3.129 20 10 DGCDRN CCOCc1cc(C[NH2+]Cc2c([O-])cccc2F)ccc1OC ZINC000896639777 618939995 /nfs/dbraw/zinc/93/99/95/618939995.db2.gz GNEAVPXYGPEQNS-UHFFFAOYSA-N 0 0 319.376 3.366 20 10 DGCDRN COCCCOc1cccc(C[NH2+]Cc2c([O-])cccc2F)c1 ZINC000896640225 618940005 /nfs/dbraw/zinc/94/00/05/618940005.db2.gz HBGGBXQJNKMUGZ-UHFFFAOYSA-N 0 0 319.376 3.236 20 10 DGCDRN C[C@H]1C[C@H](NC(=O)NCc2cccc(Cl)c2O)CCS1 ZINC000896706557 618946657 /nfs/dbraw/zinc/94/66/57/618946657.db2.gz VDSBEXCLHRFPBY-GXSJLCMTSA-N 0 0 314.838 3.129 20 10 DGCDRN COc1nn(C)cc1NCc1ccc(N2CCCCC2)cc1 ZINC000788971080 625308371 /nfs/dbraw/zinc/30/83/71/625308371.db2.gz CPWQIWKXWVWPTJ-UHFFFAOYSA-N 0 0 300.406 3.031 20 10 DGCDRN CN(C)c1ccc(Cn2cc(CCOc3ccccc3)nn2)cc1 ZINC000881272324 625309880 /nfs/dbraw/zinc/30/98/80/625309880.db2.gz SQCJMDRYIGTCMP-UHFFFAOYSA-N 0 0 322.412 3.014 20 10 DGCDRN CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3ccc(F)c(F)c3[O-])C2)n1 ZINC000897043808 619007738 /nfs/dbraw/zinc/00/77/38/619007738.db2.gz MNVYSOCXIHCCFX-GXSJLCMTSA-N 0 0 323.343 3.042 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]CCc1cccc2c1OCCO2 ZINC000897209334 619029278 /nfs/dbraw/zinc/02/92/78/619029278.db2.gz BNIVNQOXCMMRIE-UHFFFAOYSA-N 0 0 319.788 3.149 20 10 DGCDRN COc1nn(C)cc1N[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000788985345 625313834 /nfs/dbraw/zinc/31/38/34/625313834.db2.gz QIDQPVUDJAOEEO-LLVKDONJSA-N 0 0 301.390 3.186 20 10 DGCDRN CCn1cnc2c1CCN(Cc1ccc3ccccc3c1O)C2 ZINC000897334108 619061782 /nfs/dbraw/zinc/06/17/82/619061782.db2.gz JNJSZRBHYYLWHW-UHFFFAOYSA-N 0 0 307.397 3.320 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CC(C)(C)C2)cc1F ZINC000788988852 625316305 /nfs/dbraw/zinc/31/63/05/625316305.db2.gz HNLCZIAWFDTGBD-UHFFFAOYSA-N 0 0 307.413 3.223 20 10 DGCDRN CCOc1ccc(NC(=S)NCc2ncccc2F)cc1 ZINC000752766310 619108263 /nfs/dbraw/zinc/10/82/63/619108263.db2.gz KMPWHILEJMJVQW-UHFFFAOYSA-N 0 0 305.378 3.106 20 10 DGCDRN Cc1nn(C)c(C)c1CC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841745531 619136160 /nfs/dbraw/zinc/13/61/60/619136160.db2.gz ZTLABDFIYQJYAX-SNVBAGLBSA-N 0 0 307.825 3.289 20 10 DGCDRN CC[C@@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1cccc(Cl)c1[O-] ZINC000841763019 619166527 /nfs/dbraw/zinc/16/65/27/619166527.db2.gz TUQFCZOXWIRHNU-GXFFZTMASA-N 0 0 318.795 3.426 20 10 DGCDRN CC1=C(C)CN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897631871 619169139 /nfs/dbraw/zinc/16/91/39/619169139.db2.gz HFAOUSDUEWOAPS-UHFFFAOYSA-N 0 0 303.383 3.495 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cncs1 ZINC000897934107 619194459 /nfs/dbraw/zinc/19/44/59/619194459.db2.gz DTFOKJDKKHGKNU-ZETCQYMHSA-N 0 0 313.766 3.261 20 10 DGCDRN CC(C)OCC(C)(C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897988710 619203265 /nfs/dbraw/zinc/20/32/65/619203265.db2.gz WHHCOGMAEWINDK-UHFFFAOYSA-N 0 0 323.414 3.246 20 10 DGCDRN C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@@H](C)[C@H]1C ZINC000897989713 619203776 /nfs/dbraw/zinc/20/37/76/619203776.db2.gz PORIVGVXTVYRMX-UTLUCORTSA-N 0 0 305.399 3.429 20 10 DGCDRN C[C@@]1(Br)C[C@@H]1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898215796 619222376 /nfs/dbraw/zinc/22/23/76/619222376.db2.gz QYAKPMISRWYEOD-BXKDBHETSA-N 0 0 304.615 3.309 20 10 DGCDRN COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])[C@@H]1C ZINC000898218803 619222706 /nfs/dbraw/zinc/22/27/06/619222706.db2.gz PRPQGFOJXJCGQH-SUNKGSAMSA-N 0 0 311.809 3.113 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2C[C@@H]3CCC[C@@H]23)cc1 ZINC000898288526 619232369 /nfs/dbraw/zinc/23/23/69/619232369.db2.gz LLBCELSLPFZXLC-USXIJHARSA-N 0 0 301.434 3.083 20 10 DGCDRN O=C(NC1CC2(CCC2)C1)c1cc2cc(O)c(O)cc2s1 ZINC000898293874 619233828 /nfs/dbraw/zinc/23/38/28/619233828.db2.gz CTVFZGIDJFKZBD-UHFFFAOYSA-N 0 0 303.383 3.375 20 10 DGCDRN CCOCCOCC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000927087381 619264097 /nfs/dbraw/zinc/26/40/97/619264097.db2.gz NEKFDDOGPPCDAU-SNVBAGLBSA-N 0 0 322.232 3.403 20 10 DGCDRN C[C@]1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1(F)F ZINC000898782468 619293416 /nfs/dbraw/zinc/29/34/16/619293416.db2.gz JAVNHCHIPBVIMQ-CYBMUJFWSA-N 0 0 313.325 3.088 20 10 DGCDRN C[C@@H]1CC=CC[C@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000898892891 619297545 /nfs/dbraw/zinc/29/75/45/619297545.db2.gz ZKKCRQODNBGOJJ-RHSMWYFYSA-N 0 0 301.434 3.249 20 10 DGCDRN CN(C[C@H]1CC1(C)C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000899019074 619307558 /nfs/dbraw/zinc/30/75/58/619307558.db2.gz DUTAXKVFOFBKHZ-SNVBAGLBSA-N 0 0 305.399 3.431 20 10 DGCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1OC2CCC1CC2 ZINC000899188526 619317779 /nfs/dbraw/zinc/31/77/79/619317779.db2.gz OXPXYJYCLGDWGW-UHFFFAOYSA-N 0 0 305.355 3.011 20 10 DGCDRN Cc1cc(/C=C2\SC(=S)N(C3CCC3)C2=O)cnc1F ZINC000899260939 619323678 /nfs/dbraw/zinc/32/36/78/619323678.db2.gz VKVRQRXPWWCXKS-WDZFZDKYSA-N 0 0 308.403 3.283 20 10 DGCDRN C/C(=C(/F)C(=O)NCCCSc1nccs1)C1CC1 ZINC000900681992 619445424 /nfs/dbraw/zinc/44/54/24/619445424.db2.gz DCCVLVTWLVQAEN-LUAWRHEFSA-N 0 0 300.424 3.395 20 10 DGCDRN Cc1cc(Cn2cc(-c3cnn(C(C)C)c3)nn2)ccc1N(C)C ZINC000881377165 625356836 /nfs/dbraw/zinc/35/68/36/625356836.db2.gz HCGHUWDYZZQZQC-UHFFFAOYSA-N 0 0 324.432 3.145 20 10 DGCDRN CC(=O)NCCCCCOc1ccc2c(c1)c(C)c(C)n2C ZINC000902445550 619637519 /nfs/dbraw/zinc/63/75/19/619637519.db2.gz PAPCXNOLLIJJEF-UHFFFAOYSA-N 0 0 302.418 3.480 20 10 DGCDRN CC[C@@H]([NH2+]Cc1nc(CN(C)C)cs1)c1ccc(F)cc1[O-] ZINC000903221372 619741553 /nfs/dbraw/zinc/74/15/53/619741553.db2.gz WAGBJOFBUVSSAC-CQSZACIVSA-N 0 0 323.437 3.290 20 10 DGCDRN CC[C@H]([NH2+][C@H]1CCCN2CCSC[C@@H]12)c1ccc(F)cc1[O-] ZINC000903271661 619750357 /nfs/dbraw/zinc/75/03/57/619750357.db2.gz JZSGKFFHLVYRCR-JYJNAYRXSA-N 0 0 324.465 3.152 20 10 DGCDRN C[C@H]1C[C@@H]([NH2+]Cc2cnn(CCF)c2)c2c1c(F)ccc2O ZINC000903274427 619750543 /nfs/dbraw/zinc/75/05/43/619750543.db2.gz MBTVXDJQHPNGBZ-GXFFZTMASA-N 0 0 307.344 3.035 20 10 DGCDRN C[C@H]([NH2+][C@H](CO)CCc1ccccc1)c1ccc(F)cc1[O-] ZINC000903289494 619754770 /nfs/dbraw/zinc/75/47/70/619754770.db2.gz KODBRKXWDVFGEG-BBRMVZONSA-N 0 0 303.377 3.176 20 10 DGCDRN Cc1cc(CO)cc(C)c1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000903307554 619756744 /nfs/dbraw/zinc/75/67/44/619756744.db2.gz KAIXNJBRZRUDJS-ZDUSSCGKSA-N 0 0 303.377 3.491 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)c2cncs2)c1 ZINC000903309341 619757084 /nfs/dbraw/zinc/75/70/84/619757084.db2.gz DOXQEMSNBDQEGX-ZJUUUORDSA-N 0 0 306.387 3.047 20 10 DGCDRN C[C@H]([NH2+]Cc1cn(C)cn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000903350694 619763111 /nfs/dbraw/zinc/76/31/11/619763111.db2.gz DSFQPPJRGSZDGS-QMMMGPOBSA-N 0 0 300.189 3.283 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CCCN(CC)C1=O)c1cccc(Cl)c1[O-] ZINC000903388225 619770327 /nfs/dbraw/zinc/77/03/27/619770327.db2.gz LYQLPJZYPUJOLT-UONOGXRCSA-N 0 0 310.825 3.097 20 10 DGCDRN C[C@H]1CCC[C@@H](C2CN(C(=O)c3c(F)ccc(O)c3O)C2)C1 ZINC000881442873 625377521 /nfs/dbraw/zinc/37/75/21/625377521.db2.gz QZWCBEBOUPVSLT-WDEREUQCSA-N 0 0 307.365 3.135 20 10 DGCDRN Cc1cc(-c2nc(N(C)C)no2)c(C)n1-c1ccc(F)cc1 ZINC000904660540 619941105 /nfs/dbraw/zinc/94/11/05/619941105.db2.gz BZIFIWZILRBCEL-UHFFFAOYSA-N 0 0 300.337 3.349 20 10 DGCDRN O=C1Oc2ccccc2/C1=C/c1ccc(N2CCC(O)CC2)cc1 ZINC000905071185 619970587 /nfs/dbraw/zinc/97/05/87/619970587.db2.gz QWABJPCVVHASNO-AQTBWJFISA-N 0 0 321.376 3.107 20 10 DGCDRN C[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)[C@H]1CCCO1 ZINC000906434597 620095178 /nfs/dbraw/zinc/09/51/78/620095178.db2.gz SNGQVGRAXXERTH-CRAIPNDOSA-N 0 0 316.445 3.108 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](C)[C@H]1CCCO1 ZINC000908044360 620187706 /nfs/dbraw/zinc/18/77/06/620187706.db2.gz AWKFVQRVBHVIDV-RHSMWYFYSA-N 0 0 305.418 3.336 20 10 DGCDRN O=C(OC[C@@H]1CCC[C@H](C(F)(F)F)O1)C1=CC(=O)CS1 ZINC000909004824 620234757 /nfs/dbraw/zinc/23/47/57/620234757.db2.gz YQAVRUQBCBLBIR-WCBMZHEXSA-N 0 0 310.293 3.111 20 10 DGCDRN CC(C)(CCC(=O)NCc1ccc(O)cc1O)c1ccccc1 ZINC000910949592 620318624 /nfs/dbraw/zinc/31/86/24/620318624.db2.gz LIVNDKMKJSWMOP-UHFFFAOYSA-N 0 0 313.397 3.472 20 10 DGCDRN Cc1ccc(CCCCC(=O)NCc2ccc(O)cc2O)cc1 ZINC000910954514 620318662 /nfs/dbraw/zinc/31/86/62/620318662.db2.gz KUPFKAYPHFMVPQ-UHFFFAOYSA-N 0 0 313.397 3.435 20 10 DGCDRN Cc1cc(C)cc(C2(C(=O)NCc3ccc(O)cc3O)CC2)c1 ZINC000910952480 620318665 /nfs/dbraw/zinc/31/86/65/620318665.db2.gz VFOOOCLQQGPWFD-UHFFFAOYSA-N 0 0 311.381 3.063 20 10 DGCDRN CC(C)(C)Oc1ccc(C(=O)NCc2ccc(O)cc2O)cc1 ZINC000910951317 620318688 /nfs/dbraw/zinc/31/86/88/620318688.db2.gz RSXASVBUOKWXHC-UHFFFAOYSA-N 0 0 315.369 3.205 20 10 DGCDRN CC(C)(CC(=O)NCc1ccc(O)cc1O)CC(F)(F)F ZINC000910956010 620318950 /nfs/dbraw/zinc/31/89/50/620318950.db2.gz JBQMSUSFIMDSFM-UHFFFAOYSA-N 0 0 305.296 3.083 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000910954966 620318977 /nfs/dbraw/zinc/31/89/77/620318977.db2.gz BNUJUJVBPPHHAU-JKSUJKDBSA-N 0 0 315.344 3.047 20 10 DGCDRN CC(=O)Nc1cccc(NC(=S)NNc2ccccc2F)c1 ZINC000913147821 620425520 /nfs/dbraw/zinc/42/55/20/620425520.db2.gz LKWDUWKJMOUOTL-UHFFFAOYSA-N 0 0 318.377 3.098 20 10 DGCDRN CCN(CC)c1ccc(C=Cc2nc3cnccc3c(=O)[nH]2)cc1 ZINC000151496978 620451058 /nfs/dbraw/zinc/45/10/58/620451058.db2.gz CRPPBXMNEARLOO-JXMROGBWSA-N 0 0 320.396 3.335 20 10 DGCDRN Cc1cc(C(=O)N=S(C)(C)=O)c(C)n1-c1cccc(C)c1 ZINC000913646581 620466892 /nfs/dbraw/zinc/46/68/92/620466892.db2.gz DMDBRPFVDMSHSP-UHFFFAOYSA-N 0 0 304.415 3.270 20 10 DGCDRN C[C@H](NC(=O)c1cn(C)nc1C1CCCC1)c1ccccc1O ZINC000913763919 620477926 /nfs/dbraw/zinc/47/79/26/620477926.db2.gz VSJIRBVYZHFJIS-LBPRGKRZSA-N 0 0 313.401 3.274 20 10 DGCDRN Cc1nc(Cl)ccc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000151957180 620483940 /nfs/dbraw/zinc/48/39/40/620483940.db2.gz VAELYFYWERFFOL-UHFFFAOYSA-N 0 0 303.793 3.039 20 10 DGCDRN CCC[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000152495326 620509698 /nfs/dbraw/zinc/50/96/98/620509698.db2.gz LHKUQSHTFTXXES-OAHLLOKOSA-N 0 0 307.434 3.396 20 10 DGCDRN CCOc1ccc([C@H]2NC(=O)c3ccc(Cl)cc3N2)c(O)c1 ZINC000914796278 620554800 /nfs/dbraw/zinc/55/48/00/620554800.db2.gz UVTAVATXYMBTKZ-OAHLLOKOSA-N 0 0 318.760 3.298 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H](C)C[C@H](C)O ZINC000153858580 620618278 /nfs/dbraw/zinc/61/82/78/620618278.db2.gz HRJYCMFQSBNPMT-FZMZJTMJSA-N 0 0 320.458 3.292 20 10 DGCDRN Cn1c(-c2ccccc2)cnc1SC[C@@H]1CCC2(COC2)O1 ZINC000916203203 620621555 /nfs/dbraw/zinc/62/15/55/620621555.db2.gz LYLPXIPGCPYQAE-AWEZNQCLSA-N 0 0 316.426 3.127 20 10 DGCDRN C[C@@]1(CNC(=O)NCc2c(O)ccc3c2CCCC3)CC1(F)F ZINC000852581402 620631715 /nfs/dbraw/zinc/63/17/15/620631715.db2.gz LZGAHYOQKREYRI-INIZCTEOSA-N 0 0 324.371 3.116 20 10 DGCDRN C[C@@H](NC(=O)CC1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000920879869 620826523 /nfs/dbraw/zinc/82/65/23/620826523.db2.gz XAIJQSQMZVLXBF-OAHLLOKOSA-N 0 0 316.445 3.281 20 10 DGCDRN CCCN(C(=O)c1ccnc2c1CC(=O)N2)c1ccc(CC)cc1 ZINC000854825093 620843955 /nfs/dbraw/zinc/84/39/55/620843955.db2.gz YMIYYPDTHGWFHU-UHFFFAOYSA-N 0 0 323.396 3.195 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)C1CC2(CC2(F)F)C1 ZINC000855022812 620863404 /nfs/dbraw/zinc/86/34/04/620863404.db2.gz JZQYZAWPMUBJPR-UHFFFAOYSA-N 0 0 301.720 3.097 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000855020046 620863418 /nfs/dbraw/zinc/86/34/18/620863418.db2.gz FDDOXVOLFODBCC-OLMNPRSZSA-N 0 0 316.445 3.026 20 10 DGCDRN CC(C)CNC(=O)c1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000855084715 620868571 /nfs/dbraw/zinc/86/85/71/620868571.db2.gz BRLUIJKFJPEFFW-UHFFFAOYSA-N 0 0 318.398 3.092 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)Cc1c[nH]cn1 ZINC000855134444 620873161 /nfs/dbraw/zinc/87/31/61/620873161.db2.gz OLWVPDUWKRTPRI-UHFFFAOYSA-N 0 0 314.414 3.151 20 10 DGCDRN CN(C(=O)/C=C/c1cnn(C)c1)c1cc(Cl)cc(Cl)c1 ZINC000113096797 620877644 /nfs/dbraw/zinc/87/76/44/620877644.db2.gz IHFLZSSENRMBKY-ONEGZZNKSA-N 0 0 310.184 3.403 20 10 DGCDRN CC[C@H](C)[C@@H](C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855224173 620881865 /nfs/dbraw/zinc/88/18/65/620881865.db2.gz FHLYIXRCSWOJAI-ZNMIVQPWSA-N 0 0 304.434 3.072 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)CC(C)(C)C)C2)cc1 ZINC000855225978 620881983 /nfs/dbraw/zinc/88/19/83/620881983.db2.gz MMCMGSPPHYXBAE-LSDHHAIUSA-N 0 0 318.461 3.462 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCC[C@H](C)C3)C2)cc1 ZINC000855230687 620882137 /nfs/dbraw/zinc/88/21/37/620882137.db2.gz HXMLKHUMAJLPFP-JYJNAYRXSA-N 0 0 316.445 3.216 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)c3cscc3C)C2)cc1 ZINC000855231402 620882171 /nfs/dbraw/zinc/88/21/71/620882171.db2.gz LQWZAPOZHXTNAW-ZDUSSCGKSA-N 0 0 316.426 3.074 20 10 DGCDRN CCC(CC)CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855233748 620882222 /nfs/dbraw/zinc/88/22/22/620882222.db2.gz MHXNFCQMQOWPBY-HNNXBMFYSA-N 0 0 304.434 3.216 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)C3CCCC3)C2)cc1 ZINC000855231078 620882289 /nfs/dbraw/zinc/88/22/89/620882289.db2.gz JGDVSXUBNACWAP-GOEBONIOSA-N 0 0 316.445 3.216 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)C[C@H](C)CC(C)C)C2)cc1 ZINC000855231607 620882387 /nfs/dbraw/zinc/88/23/87/620882387.db2.gz WXPMBQBNCJDKGN-CVEARBPZSA-N 0 0 318.461 3.462 20 10 DGCDRN C/C=C(/C=C/C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)CC ZINC000855233843 620882429 /nfs/dbraw/zinc/88/24/29/620882429.db2.gz NYLYEJYFNDCIGC-NAQJUFNLSA-N 0 0 314.429 3.303 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)CCC(C)(C)C)C2)cc1 ZINC000855231359 620882455 /nfs/dbraw/zinc/88/24/55/620882455.db2.gz LDRZPQFDTHWDCM-CQSZACIVSA-N 0 0 304.434 3.216 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)C(C)(C)C3CCC3)C2)cc1 ZINC000855227573 620882499 /nfs/dbraw/zinc/88/24/99/620882499.db2.gz YCTFJXUXRHBRBH-HNNXBMFYSA-N 0 0 316.445 3.216 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cccc(C)c3C)C2)cc1 ZINC000855234828 620882989 /nfs/dbraw/zinc/88/29/89/620882989.db2.gz NTRBYZXSMRKFLA-MRXNPFEDSA-N 0 0 324.424 3.321 20 10 DGCDRN C[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccco1 ZINC000840763882 620883172 /nfs/dbraw/zinc/88/31/72/620883172.db2.gz ZUMXVMGYDANNTM-GFCCVEGCSA-N 0 0 322.355 3.245 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC(c2ccco2)CC1 ZINC000855291383 620887765 /nfs/dbraw/zinc/88/77/65/620887765.db2.gz HVGDAHRYPXNZMK-XQRVVYSFSA-N 0 0 313.353 3.110 20 10 DGCDRN Cc1nc(C)c(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000890030257 620921239 /nfs/dbraw/zinc/92/12/39/620921239.db2.gz BCPPXQHNMRHANX-NSHDSACASA-N 0 0 317.458 3.246 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C=C/c1cncc(C)c1)CCC2 ZINC000856076957 620958455 /nfs/dbraw/zinc/95/84/55/620958455.db2.gz LXAFYBLSEUHBNZ-VMPITWQZSA-N 0 0 308.381 3.391 20 10 DGCDRN Cc1cc(C(=O)NC2([C@H](C)O)CC2)c(C)n1-c1ccccc1C ZINC000856130628 620963614 /nfs/dbraw/zinc/96/36/14/620963614.db2.gz GUNYVJAEBJSFEN-HNNXBMFYSA-N 0 0 312.413 3.046 20 10 DGCDRN CC/C(C)=C(/C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856213011 620972775 /nfs/dbraw/zinc/97/27/75/620972775.db2.gz URJPESRRFGZFIU-PFONDFGASA-N 0 0 316.445 3.010 20 10 DGCDRN C[C@@H](NC(=O)NC[C@]1(C)CCCCO1)c1ccc(N(C)C)cc1 ZINC000922056247 620984262 /nfs/dbraw/zinc/98/42/62/620984262.db2.gz WYUAJCOPZPMRLP-KDOFPFPSSA-N 0 0 319.449 3.072 20 10 DGCDRN Cc1ccc(N2CCN(C(=O)C3=CC(=O)CS3)CC2)c(C)c1 ZINC000856365118 620989230 /nfs/dbraw/zinc/98/92/30/620989230.db2.gz YMEATCGZZPJZPB-UHFFFAOYSA-N 0 0 316.426 3.033 20 10 DGCDRN FCCOc1ccccc1NCc1nc(Br)c[nH]1 ZINC000922155443 620997294 /nfs/dbraw/zinc/99/72/94/620997294.db2.gz ZWXVUGWFTHDEMM-UHFFFAOYSA-N 0 0 314.158 3.133 20 10 DGCDRN Cc1cc(C(=O)NCc2ncc[nH]2)c(C)n1-c1ccccc1C ZINC000114337269 621000761 /nfs/dbraw/zinc/00/07/61/621000761.db2.gz RAQKCBFWLITWHW-UHFFFAOYSA-N 0 0 308.385 3.056 20 10 DGCDRN COc1ccc(O)c(CNC(=O)C[C@H](C)c2ccc(F)cc2)c1 ZINC000114543016 621009093 /nfs/dbraw/zinc/00/90/93/621009093.db2.gz FLRXKDVOPCIJKH-LBPRGKRZSA-N 0 0 317.360 3.350 20 10 DGCDRN CCc1ccc([C@@H](C)C(=O)NCc2cc(OC)ccc2O)cc1 ZINC000114542420 621009318 /nfs/dbraw/zinc/00/93/18/621009318.db2.gz QLYYYHFMBBTHRJ-CYBMUJFWSA-N 0 0 313.397 3.383 20 10 DGCDRN COc1ccc(N2CCC(Nc3cnn4ccccc34)CC2)cc1 ZINC000922256214 621013770 /nfs/dbraw/zinc/01/37/70/621013770.db2.gz CASVKOVGSNKTLF-UHFFFAOYSA-N 0 0 322.412 3.424 20 10 DGCDRN COCC1(C(=O)N(C)Cc2ccc(N(C)C)cc2)CCCCC1 ZINC000856739590 621014471 /nfs/dbraw/zinc/01/44/71/621014471.db2.gz WWLRFSNYLBCFNL-UHFFFAOYSA-N 0 0 318.461 3.308 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2c(C)cccc2C)c1 ZINC000114566153 621015305 /nfs/dbraw/zinc/01/53/05/621015305.db2.gz ZIEBHFVTOINRHB-UHFFFAOYSA-N 0 0 300.358 3.339 20 10 DGCDRN CCc1cccc(NC(=O)NCc2cc(OC)ccc2O)c1 ZINC000114565883 621015462 /nfs/dbraw/zinc/01/54/62/621015462.db2.gz PAWPLLFVJDLWRG-UHFFFAOYSA-N 0 0 300.358 3.285 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@H](C)CCCC(C)C)c1 ZINC000114582034 621016588 /nfs/dbraw/zinc/01/65/88/621016588.db2.gz XABANVUTGRJREM-CYBMUJFWSA-N 0 0 308.422 3.415 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CC(CC2CC2)C1 ZINC000856840070 621027929 /nfs/dbraw/zinc/02/79/29/621027929.db2.gz NSKXIAHSCGKNGX-UHFFFAOYSA-N 0 0 313.445 3.228 20 10 DGCDRN Cc1ccc(C(=O)OCc2coc(C(C)(C)C)n2)c(O)c1O ZINC000922401124 621033611 /nfs/dbraw/zinc/03/36/11/621033611.db2.gz HCRIKUZSIXLKFJ-UHFFFAOYSA-N 0 0 305.330 3.049 20 10 DGCDRN COc1cc(CNc2nncn2C2CC2)c(O)c(C(C)(C)C)c1 ZINC000922659027 621074908 /nfs/dbraw/zinc/07/49/08/621074908.db2.gz JHNCKTCIUMMHCJ-UHFFFAOYSA-N 0 0 316.405 3.237 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000922722582 621090287 /nfs/dbraw/zinc/09/02/87/621090287.db2.gz GYKHNKNUPALONU-NDMJEZRESA-N 0 0 314.212 3.380 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(F)c(F)c1 ZINC000115279666 621093115 /nfs/dbraw/zinc/09/31/15/621093115.db2.gz HMLVMAWIRQTWMY-UHFFFAOYSA-N 0 0 304.340 3.269 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCOc2ccccc21 ZINC000115281309 621094621 /nfs/dbraw/zinc/09/46/21/621094621.db2.gz NIHHIEGHWXIFIS-GOSISDBHSA-N 0 0 324.424 3.244 20 10 DGCDRN COc1cccc([C@H](C)C(=O)NCc2cc(Cl)ccc2O)c1 ZINC000857547707 621094831 /nfs/dbraw/zinc/09/48/31/621094831.db2.gz QLJNPWSLFZFIGC-NSHDSACASA-N 0 0 319.788 3.474 20 10 DGCDRN CCc1ccc(O)c(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC000857548588 621095382 /nfs/dbraw/zinc/09/53/82/621095382.db2.gz PIBIUOOPGPENDJ-UHFFFAOYSA-N 0 0 305.761 3.244 20 10 DGCDRN CCc1cccc(C(=O)NCc2cc(Cl)ccc2O)c1O ZINC000857548024 621095494 /nfs/dbraw/zinc/09/54/94/621095494.db2.gz APYKDRDLYURTAZ-UHFFFAOYSA-N 0 0 305.761 3.244 20 10 DGCDRN CCc1ccccc1CC(=O)NCc1cc(Cl)ccc1O ZINC000857548043 621095545 /nfs/dbraw/zinc/09/55/45/621095545.db2.gz BCLLDXRSAZYPLC-UHFFFAOYSA-N 0 0 303.789 3.467 20 10 DGCDRN C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCS1 ZINC000922844439 621107511 /nfs/dbraw/zinc/10/75/11/621107511.db2.gz XFBSFTCEAOBCES-GZMMTYOYSA-N 0 0 316.810 3.328 20 10 DGCDRN CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3cc(F)cc(F)c3[O-])C2)n1 ZINC000922861180 621110042 /nfs/dbraw/zinc/11/00/42/621110042.db2.gz ASMYNWGPLPVZOK-BXKDBHETSA-N 0 0 323.343 3.042 20 10 DGCDRN CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3cc(F)cc(F)c3[O-])C2)n1 ZINC000922861182 621110206 /nfs/dbraw/zinc/11/02/06/621110206.db2.gz ASMYNWGPLPVZOK-JOYOIKCWSA-N 0 0 323.343 3.042 20 10 DGCDRN O=C(NCCCSc1nccs1)NCCc1ccccc1 ZINC000115633172 621119464 /nfs/dbraw/zinc/11/94/64/621119464.db2.gz IHLJZDQZXDFUDP-UHFFFAOYSA-N 0 0 321.471 3.167 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@]1(c2ccccc2)CCCO1 ZINC000922965645 621138543 /nfs/dbraw/zinc/13/85/43/621138543.db2.gz ZOJQXLALZSYVHS-GOSISDBHSA-N 0 0 319.351 3.466 20 10 DGCDRN CCCOc1ccc(CNCc2noc3c2COCC3)cc1C ZINC000923019251 621147909 /nfs/dbraw/zinc/14/79/09/621147909.db2.gz RLBYGKYVSVMREV-UHFFFAOYSA-N 0 0 316.401 3.134 20 10 DGCDRN CN(C)c1cc(F)c(CNCc2ccc(Cl)cn2)cc1F ZINC000858155847 621159836 /nfs/dbraw/zinc/15/98/36/621159836.db2.gz PXXVNMROYQRPIQ-UHFFFAOYSA-N 0 0 311.763 3.369 20 10 DGCDRN Cn1cc([C@@H](NCc2cc(Cl)ccc2O)C(F)(F)F)cn1 ZINC000858164739 621160647 /nfs/dbraw/zinc/16/06/47/621160647.db2.gz WXKDFHZRWWDZDL-GFCCVEGCSA-N 0 0 319.714 3.172 20 10 DGCDRN CCc1nc(C)c(CNCc2cc(F)c(N(C)C)cc2F)o1 ZINC000858168976 621161137 /nfs/dbraw/zinc/16/11/37/621161137.db2.gz SVABTNPHAGUTKM-UHFFFAOYSA-N 0 0 309.360 3.179 20 10 DGCDRN Cc1ccc2c(c1)[C@H](NC(=O)NCc1cc(C)ccc1O)CC2 ZINC000858201170 621164231 /nfs/dbraw/zinc/16/42/31/621164231.db2.gz IXKFZLSARMHWBJ-QGZVFWFLSA-N 0 0 310.397 3.496 20 10 DGCDRN COCc1ccc(NCc2cccc(OC)c2O)cc1OC ZINC000858309534 621174170 /nfs/dbraw/zinc/17/41/70/621174170.db2.gz DLCPKEBGSCQFEQ-UHFFFAOYSA-N 0 0 303.358 3.168 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCCCSCC(C)C)c1 ZINC000858321579 621175816 /nfs/dbraw/zinc/17/58/16/621175816.db2.gz AHKFNXNNVXHMGD-UHFFFAOYSA-N 0 0 310.463 3.279 20 10 DGCDRN Cc1ncccc1CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000858368294 621181956 /nfs/dbraw/zinc/18/19/56/621181956.db2.gz IIPIQYXXWQOFFN-AWEZNQCLSA-N 0 0 312.417 3.016 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCCCc2ccccc2F)c1 ZINC000858414243 621187271 /nfs/dbraw/zinc/18/72/71/621187271.db2.gz APGAKQKXBFYXTH-UHFFFAOYSA-N 0 0 316.376 3.272 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1ccc(F)cc1[O-] ZINC000858478974 621196205 /nfs/dbraw/zinc/19/62/05/621196205.db2.gz FYMSDDQVLFTDOQ-TZMCWYRMSA-N 0 0 316.367 3.302 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@H]2C[C@H]2C)cc1 ZINC000858486606 621197224 /nfs/dbraw/zinc/19/72/24/621197224.db2.gz WWJMYQULQUUKCS-CXAGYDPISA-N 0 0 324.424 3.221 20 10 DGCDRN CCON(C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000753500483 621198342 /nfs/dbraw/zinc/19/83/42/621198342.db2.gz YWZYRBZIXMVAJU-UHFFFAOYSA-N 0 0 305.422 3.016 20 10 DGCDRN Cc1ccc([C@@H]2C[C@H]2NC(=O)NCc2cc(C)ccc2O)cc1 ZINC000858571843 621205595 /nfs/dbraw/zinc/20/55/95/621205595.db2.gz HLPOTFGZIYQLFI-DLBZAZTESA-N 0 0 310.397 3.364 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)c2ccns2)c1 ZINC000858577054 621206030 /nfs/dbraw/zinc/20/60/30/621206030.db2.gz OIRPFNXGDPJSKS-ZJUUUORDSA-N 0 0 306.387 3.047 20 10 DGCDRN COc1ccc(N2CC[C@H](CNc3ncccc3OC)C2)cc1 ZINC000858582185 621206584 /nfs/dbraw/zinc/20/65/84/621206584.db2.gz NXVFYQNQWHEZPT-CQSZACIVSA-N 0 0 313.401 3.037 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCC(C)(C)CC(F)(F)F)c1 ZINC000858627654 621210750 /nfs/dbraw/zinc/21/07/50/621210750.db2.gz OEPNNRCUDFKRRG-UHFFFAOYSA-N 0 0 318.339 3.478 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N(C)CC1CC1 ZINC000858626204 621210880 /nfs/dbraw/zinc/21/08/80/621210880.db2.gz ULPBUKLWQNJVRN-UHFFFAOYSA-N 0 0 310.397 3.389 20 10 DGCDRN Cc1cc(CNC(=O)NOC(C)C)c(C)n1-c1ccccc1 ZINC000858906185 621230439 /nfs/dbraw/zinc/23/04/39/621230439.db2.gz KCSFIEVZFKYSFO-UHFFFAOYSA-N 0 0 301.390 3.233 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NC2CC(C(C)(C)C)C2)c1 ZINC000838475150 621258415 /nfs/dbraw/zinc/25/84/15/621258415.db2.gz XTAPBPNUPYKLRA-UHFFFAOYSA-N 0 0 306.406 3.025 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000838485086 621259171 /nfs/dbraw/zinc/25/91/71/621259171.db2.gz BOZDFMYBDYFLSJ-NJAFHUGGSA-N 0 0 311.429 3.051 20 10 DGCDRN O=C(NCCCSc1nccs1)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000838514579 621261895 /nfs/dbraw/zinc/26/18/95/621261895.db2.gz RPPRXPVOQYAZIM-WOPDTQHZSA-N 0 0 311.476 3.113 20 10 DGCDRN CC(C)O[C@H]1C[C@@H](NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000838559113 621262974 /nfs/dbraw/zinc/26/29/74/621262974.db2.gz KCUIDYXADAXMDZ-UNEWFSDZSA-N 0 0 319.449 3.069 20 10 DGCDRN C[C@@H](NC(=O)N[C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(N(C)C)cc1 ZINC000838559784 621263082 /nfs/dbraw/zinc/26/30/82/621263082.db2.gz QEGVYGRJTDYZOM-IRWJRLHMSA-N 0 0 301.434 3.301 20 10 DGCDRN C[C@@H](F)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000838619940 621265678 /nfs/dbraw/zinc/26/56/78/621265678.db2.gz PWNMAJYDDJRKSV-CYBMUJFWSA-N 0 0 307.413 3.175 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@](C)(CC)OC ZINC000838660187 621270610 /nfs/dbraw/zinc/27/06/10/621270610.db2.gz CRFAOZCKJPKBRK-SFHVURJKSA-N 0 0 321.465 3.099 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCCC[C@@H]1CCOC1 ZINC000838714881 621272952 /nfs/dbraw/zinc/27/29/52/621272952.db2.gz NYVVGLGUPOMHFC-OAHLLOKOSA-N 0 0 320.433 3.131 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2C[C@H](C)C(F)(F)[C@@H](C)C2)c1O ZINC000859411808 621275238 /nfs/dbraw/zinc/27/52/38/621275238.db2.gz NHERVUJFKZDDMG-UWVGGRQHSA-N 0 0 315.335 3.457 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000838773880 621279287 /nfs/dbraw/zinc/27/92/87/621279287.db2.gz DPZHPWWNWKUNJA-PVAVHDDUSA-N 0 0 301.434 3.083 20 10 DGCDRN Cc1cc(CN2CCc3nc(C4CC4)ncc3C2)ccc1N(C)C ZINC000859797802 621325612 /nfs/dbraw/zinc/32/56/12/621325612.db2.gz PESOJUTYDHXDHY-UHFFFAOYSA-N 0 0 322.456 3.287 20 10 DGCDRN CC[C@@H]1OCC[C@H]1[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000839191275 621347106 /nfs/dbraw/zinc/34/71/06/621347106.db2.gz GIYMSAGUNPAUKF-OLZOCXBDSA-N 0 0 314.223 3.120 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CC3CC2(C(F)(F)F)C3)c1O ZINC000839200349 621351147 /nfs/dbraw/zinc/35/11/47/621351147.db2.gz URFLUUBZOCDMDZ-UHFFFAOYSA-N 0 0 317.282 3.261 20 10 DGCDRN C/C(=C/C(=O)N1CCCc2cc(C)cc(F)c21)c1cnccn1 ZINC000839258351 621353188 /nfs/dbraw/zinc/35/31/88/621353188.db2.gz SWUUOWXMUUCAQB-RAXLEYEMSA-N 0 0 311.360 3.307 20 10 DGCDRN CCc1cccc2c1N(C(=O)/C=C(/C)c1cnccn1)CCC2 ZINC000839277323 621354014 /nfs/dbraw/zinc/35/40/14/621354014.db2.gz DQHOJGYGQBTXSG-OWBHPGMISA-N 0 0 307.397 3.422 20 10 DGCDRN C[C@H]1C[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000103413692 621362888 /nfs/dbraw/zinc/36/28/88/621362888.db2.gz YCGOJFXJJQVXCL-SMDDNHRTSA-N 0 0 314.351 3.300 20 10 DGCDRN Cn1cc(/C=C/C(=O)N2CCCc3c(F)ccc(Cl)c32)cn1 ZINC000839440884 621374228 /nfs/dbraw/zinc/37/42/28/621374228.db2.gz APYWQDYHZWLVQB-QPJJXVBHSA-N 0 0 319.767 3.205 20 10 DGCDRN COc1ccc(C2CC2)cc1CNC(=O)C1=CC(=O)CS1 ZINC000881559458 625484430 /nfs/dbraw/zinc/48/44/30/625484430.db2.gz STFVIXZDVXLAOK-UHFFFAOYSA-N 0 0 303.383 3.270 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(C)c1C ZINC000808094812 621384464 /nfs/dbraw/zinc/38/44/64/621384464.db2.gz FMMYANUQNNYDDT-UHFFFAOYSA-N 0 0 304.386 3.425 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1 ZINC000860240513 621385942 /nfs/dbraw/zinc/38/59/42/621385942.db2.gz AXRQEXINMWODND-BDGZYUFMSA-N 0 0 323.392 3.164 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)OC[C@@H]2CCCO2)cc1F ZINC000804991110 621392390 /nfs/dbraw/zinc/39/23/90/621392390.db2.gz IHPNFRIBUKQQKO-AWEZNQCLSA-N 0 0 324.396 3.077 20 10 DGCDRN C[C@H](NC(=O)C1=CC(=O)CS1)c1nc(C2CCCCC2)no1 ZINC000752808497 621411204 /nfs/dbraw/zinc/41/12/04/621411204.db2.gz VGSMISXVWLFIAZ-VIFPVBQESA-N 0 0 321.402 3.375 20 10 DGCDRN CC1(NC(=O)/C=C\c2ccc(O)c(O)c2)CCC(F)(F)CC1 ZINC000752837207 621412361 /nfs/dbraw/zinc/41/23/61/621412361.db2.gz XMBQWADOPDSNCP-HYXAFXHYSA-N 0 0 311.328 3.195 20 10 DGCDRN Cc1cc(NC(=O)NCc2ccccc2O)nn1[C@@H](C)C1CC1 ZINC000752841729 621412736 /nfs/dbraw/zinc/41/27/36/621412736.db2.gz VCJNBCQXKZSVEC-LBPRGKRZSA-N 0 0 314.389 3.190 20 10 DGCDRN CCN(CC)c1ccc(/C=C(\C(=O)OC)c2ncccn2)cc1 ZINC000752886160 621414311 /nfs/dbraw/zinc/41/43/11/621414311.db2.gz HQOPHJXADLDXHI-SSZFMOIBSA-N 0 0 311.385 3.036 20 10 DGCDRN Cn1c2ccc(OC(=O)COCC(F)F)cc2c2c1CCCC2 ZINC000860847168 621449784 /nfs/dbraw/zinc/44/97/84/621449784.db2.gz HUYRIRPDQOWWSB-UHFFFAOYSA-N 0 0 323.339 3.244 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000753574057 621449912 /nfs/dbraw/zinc/44/99/12/621449912.db2.gz APYKVVSGGNRARY-GFCCVEGCSA-N 0 0 313.800 3.433 20 10 DGCDRN C[C@H]1C[C@H](CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC000753584958 621451291 /nfs/dbraw/zinc/45/12/91/621451291.db2.gz CHBUOWKDFMUUJA-WDEREUQCSA-N 0 0 301.789 3.480 20 10 DGCDRN O=C(N[C@H](C[C@@H]1CCOC1)c1ccccc1)C1=CC(=O)CS1 ZINC000753849829 621468860 /nfs/dbraw/zinc/46/88/60/621468860.db2.gz GDMDGWSHTFEGSK-SWLSCSKDSA-N 0 0 317.410 3.351 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3CCOC[C@@H](C)C3)c2c1 ZINC000753987859 621476496 /nfs/dbraw/zinc/47/64/96/621476496.db2.gz YESQSVUPSQRDMW-ZDUSSCGKSA-N 0 0 301.386 3.022 20 10 DGCDRN C[C@@H]1CSc2ccccc2N(C(=O)/C=C\c2cnn(C)c2)C1 ZINC000754370580 621506281 /nfs/dbraw/zinc/50/62/81/621506281.db2.gz DGMXOTJMVMVHRO-WSROAFLRSA-N 0 0 313.426 3.208 20 10 DGCDRN Nc1ccc(CCNC(=O)N[C@@H](c2ccccn2)C2CCC2)cc1 ZINC000861639760 621530818 /nfs/dbraw/zinc/53/08/18/621530818.db2.gz GWSIGAVPDGHSPA-GOSISDBHSA-N 0 0 324.428 3.047 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1C[C@@H](C)[C@@H]1C ZINC000861836961 621540068 /nfs/dbraw/zinc/54/00/68/621540068.db2.gz NOTQFGLFESJLDC-OCCSQVGLSA-N 0 0 310.397 3.387 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)[C@H]1CCCCC1(F)F ZINC000862026671 621551050 /nfs/dbraw/zinc/55/10/50/621551050.db2.gz WNQIEPFRFYFCML-CYBMUJFWSA-N 0 0 320.339 3.382 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)[C@@H]1CCCC(F)(F)C1 ZINC000862025781 621551095 /nfs/dbraw/zinc/55/10/95/621551095.db2.gz AUBLUMAVLGPQLG-GFCCVEGCSA-N 0 0 320.339 3.382 20 10 DGCDRN CCCC[C@@](C)(F)C(=O)NCc1ccc2cccnc2c1O ZINC000862025224 621551114 /nfs/dbraw/zinc/55/11/14/621551114.db2.gz PBTADKBZRLWMHE-QGZVFWFLSA-N 0 0 304.365 3.475 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H]2CC23CC3)cc1 ZINC000862035689 621551637 /nfs/dbraw/zinc/55/16/37/621551637.db2.gz CJYGIIQYAAWFRO-GOSISDBHSA-N 0 0 322.408 3.118 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCCC23CC3)cc1 ZINC000862128252 621556928 /nfs/dbraw/zinc/55/69/28/621556928.db2.gz CIKBAAPEHNZNED-KRWDZBQOSA-N 0 0 316.445 3.170 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Cc1cc(-c2ccccc2)on1 ZINC000118775188 621560205 /nfs/dbraw/zinc/56/02/05/621560205.db2.gz KDSDHGQKGJKSPH-UHFFFAOYSA-N 0 0 322.364 3.248 20 10 DGCDRN C[C@H](NC(=O)N1CCS[C@@H](C)CC1)c1ccc(N(C)C)cc1 ZINC000755275112 621562670 /nfs/dbraw/zinc/56/26/70/621562670.db2.gz PCOSWHNGXLYYCO-KBPBESRZSA-N 0 0 321.490 3.351 20 10 DGCDRN Cc1ncc(CN(C)Cc2cc(F)c(N(C)C)cc2F)s1 ZINC000862228954 621564292 /nfs/dbraw/zinc/56/42/92/621564292.db2.gz LMWVMHAGQUUYEK-UHFFFAOYSA-N 0 0 311.401 3.428 20 10 DGCDRN CC(C)OC1CCN(Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862232109 621564408 /nfs/dbraw/zinc/56/44/08/621564408.db2.gz PITXLDGURMNPTI-UHFFFAOYSA-N 0 0 312.404 3.420 20 10 DGCDRN CN(C)c1cc(F)c(CN2CCCC[C@@H]2c2ncc[nH]2)cc1F ZINC000862237396 621564759 /nfs/dbraw/zinc/56/47/59/621564759.db2.gz NTHDSVQQIJWLJV-OAHLLOKOSA-N 0 0 320.387 3.481 20 10 DGCDRN CCN(Cc1nc(C)c[nH]1)Cc1cc(Br)ccc1O ZINC000862250891 621567926 /nfs/dbraw/zinc/56/79/26/621567926.db2.gz RNWCQVWDBZEXNC-UHFFFAOYSA-N 0 0 324.222 3.208 20 10 DGCDRN COC[C@@H](C)CC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000755380878 621569917 /nfs/dbraw/zinc/56/99/17/621569917.db2.gz IXOXLZOFJZEPPZ-ZDUSSCGKSA-N 0 0 324.384 3.007 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)C[C@@](C)(O)C2CC2)cc1 ZINC000755438778 621573363 /nfs/dbraw/zinc/57/33/63/621573363.db2.gz FGLPIKWCZZPFFK-LJQANCHMSA-N 0 0 318.461 3.042 20 10 DGCDRN COc1ccc(/C=C(\C)C(=O)NCc2ccccc2O)cc1F ZINC000755516401 621577201 /nfs/dbraw/zinc/57/72/01/621577201.db2.gz RAYOQZUKIGWWEB-FMIVXFBMSA-N 0 0 315.344 3.260 20 10 DGCDRN CN(C)c1cc(F)c(CN(C)[C@@H](CO)c2ccccc2)cc1F ZINC000862384429 621582252 /nfs/dbraw/zinc/58/22/52/621582252.db2.gz YXQDEMFGCVBMOK-SFHVURJKSA-N 0 0 320.383 3.196 20 10 DGCDRN CN(C)c1cc(F)c(CN2CC[C@@]3(CC3(F)F)C2)cc1F ZINC000862403359 621585509 /nfs/dbraw/zinc/58/55/09/621585509.db2.gz YVRDUMFNJSPECX-CQSZACIVSA-N 0 0 302.315 3.262 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCC(Oc2cccc(F)c2)CC1 ZINC000862426287 621587983 /nfs/dbraw/zinc/58/79/83/621587983.db2.gz CTTLLKKHGZYMKD-UHFFFAOYSA-N 0 0 321.373 3.276 20 10 DGCDRN CC1=CC[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])CC1 ZINC000755757402 621591378 /nfs/dbraw/zinc/59/13/78/621591378.db2.gz FQCOEVYOSKXRCJ-UHFFFAOYSA-N 0 0 323.392 3.481 20 10 DGCDRN CCC([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])(C1CC1)C1CC1 ZINC000862468752 621592880 /nfs/dbraw/zinc/59/28/80/621592880.db2.gz NLTIDEOBQMOCPX-UHFFFAOYSA-N 0 0 320.389 3.367 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000862529507 621597248 /nfs/dbraw/zinc/59/72/48/621597248.db2.gz UEFFQFIKNUVSEQ-XHDPSFHLSA-N 0 0 316.228 3.293 20 10 DGCDRN CCOc1ccc(CN(C)c2ccc(OC)c(OC)c2)nc1 ZINC000755908808 621601963 /nfs/dbraw/zinc/60/19/63/621601963.db2.gz GLWZOPRRBSEXBV-UHFFFAOYSA-N 0 0 302.374 3.134 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](c1ccccn1)C1CCC1 ZINC000862744832 621612761 /nfs/dbraw/zinc/61/27/61/621612761.db2.gz IBYGHYFBCYBXNO-RQMBKDMJSA-N 0 0 324.380 3.164 20 10 DGCDRN COc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1cc(C)ccc1O ZINC000862754370 621613337 /nfs/dbraw/zinc/61/33/37/621613337.db2.gz BTWYGZKFXRXIIF-JKSUJKDBSA-N 0 0 311.381 3.129 20 10 DGCDRN CC[C@](O)(CC(=O)NCc1cc(C)ccc1O)c1ccccc1 ZINC000862754573 621613659 /nfs/dbraw/zinc/61/36/59/621613659.db2.gz GCOYNYKGTURBGI-IBGZPJMESA-N 0 0 313.397 3.005 20 10 DGCDRN CCOCCC1(C(=O)NCc2cc(C)ccc2O)CCCC1 ZINC000862757987 621614331 /nfs/dbraw/zinc/61/43/31/621614331.db2.gz LDLOIQPVKQEWAC-UHFFFAOYSA-N 0 0 305.418 3.304 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@H](C)CCOc2ccccc2)c1 ZINC000862760227 621614708 /nfs/dbraw/zinc/61/47/08/621614708.db2.gz OBDKQBKWNWRABP-OAHLLOKOSA-N 0 0 313.397 3.422 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CC[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000756141832 621617848 /nfs/dbraw/zinc/61/78/48/621617848.db2.gz ZAULWCNYPQQALG-VSKVDJIOSA-N 0 0 318.373 3.263 20 10 DGCDRN CCC(F)(F)CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000862901853 621626098 /nfs/dbraw/zinc/62/60/98/621626098.db2.gz USVFQVOLUZXSKU-UHFFFAOYSA-N 0 0 307.344 3.264 20 10 DGCDRN O=C([O-])[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 ZINC000756334033 621628710 /nfs/dbraw/zinc/62/87/10/621628710.db2.gz WTZFROMEWZBNPD-MRXNPFEDSA-N 0 0 317.772 3.190 20 10 DGCDRN COCCC[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756341022 621629287 /nfs/dbraw/zinc/62/92/87/621629287.db2.gz HTRVWXWCVSLZEH-MRVPVSSYSA-N 0 0 322.630 3.495 20 10 DGCDRN COCCC[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756341023 621629302 /nfs/dbraw/zinc/62/93/02/621629302.db2.gz HTRVWXWCVSLZEH-QMMMGPOBSA-N 0 0 322.630 3.495 20 10 DGCDRN CCOCCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756343383 621629763 /nfs/dbraw/zinc/62/97/63/621629763.db2.gz YJYKRCQRAHGJNE-VIFPVBQESA-N 0 0 320.202 3.371 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1cc(F)cc(F)c1[O-] ZINC000756352491 621630120 /nfs/dbraw/zinc/63/01/20/621630120.db2.gz TYYXZCAGDJMADZ-CMPLNLGQSA-N 0 0 321.323 3.161 20 10 DGCDRN CC(C)[C@@H](CC(=O)[O-])[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000756363065 621631317 /nfs/dbraw/zinc/63/13/17/621631317.db2.gz QAGYFLJOWZOEQZ-QGZVFWFLSA-N 0 0 304.434 3.266 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C)Cc2ccco2)c1 ZINC000756381169 621633507 /nfs/dbraw/zinc/63/35/07/621633507.db2.gz XTRSYBXELXKYOX-VXGBXAGGSA-N 0 0 303.358 3.054 20 10 DGCDRN CC(C)[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])N1CCCC1 ZINC000756397920 621635151 /nfs/dbraw/zinc/63/51/51/621635151.db2.gz ANYLJJXAMUZNDC-BBRMVZONSA-N 0 0 321.421 3.071 20 10 DGCDRN Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756461537 621640172 /nfs/dbraw/zinc/64/01/72/621640172.db2.gz UIBILNSCGGZCJT-BZNIZROVSA-N 0 0 307.340 3.363 20 10 DGCDRN CC[C@@H](CO)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC000863161879 621643841 /nfs/dbraw/zinc/64/38/41/621643841.db2.gz LOSONDVYMHTBLX-INIZCTEOSA-N 0 0 314.429 3.037 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCc2cccc(C)c2)c1 ZINC000756511213 621643978 /nfs/dbraw/zinc/64/39/78/621643978.db2.gz MIKBCDLZWTWLFC-CQSZACIVSA-N 0 0 313.397 3.381 20 10 DGCDRN CCO[C@H](C)C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000863166511 621644625 /nfs/dbraw/zinc/64/46/25/621644625.db2.gz VZGKNSNPPSLJOX-OAHLLOKOSA-N 0 0 300.402 3.135 20 10 DGCDRN Cc1cc(CNC(=O)[C@@H]2CCCOC2)c(C)n1-c1ccccc1 ZINC000863164788 621644652 /nfs/dbraw/zinc/64/46/52/621644652.db2.gz AUXNGIIKUGJACR-MRXNPFEDSA-N 0 0 312.413 3.137 20 10 DGCDRN CO[C@@H](C)CC[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756526980 621644868 /nfs/dbraw/zinc/64/48/68/621644868.db2.gz IPHCPXLLRDQBMP-DTWKUNHWSA-N 0 0 320.202 3.369 20 10 DGCDRN COCC[C@H](C)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756528745 621645374 /nfs/dbraw/zinc/64/53/74/621645374.db2.gz WOVKGYLXFVFGGF-DTWKUNHWSA-N 0 0 320.202 3.369 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C/c1ccncc1Cl ZINC000863180635 621645446 /nfs/dbraw/zinc/64/54/46/621645446.db2.gz QVLKDHXUMNCGJU-XYOKQWHBSA-N 0 0 307.806 3.191 20 10 DGCDRN CCn1nc(C)c(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])c1C ZINC000756535625 621645896 /nfs/dbraw/zinc/64/58/96/621645896.db2.gz NTAOAKRXJIRIMH-SECBINFHSA-N 0 0 309.360 3.354 20 10 DGCDRN Cc1csc([C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000756537104 621646104 /nfs/dbraw/zinc/64/61/04/621646104.db2.gz VWKCQFGJZKYOAV-UWVGGRQHSA-N 0 0 307.375 3.477 20 10 DGCDRN CCc1nc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cs1 ZINC000756555652 621647726 /nfs/dbraw/zinc/64/77/26/621647726.db2.gz UHCZRVOFTGVIIL-VIFPVBQESA-N 0 0 307.375 3.170 20 10 DGCDRN CC[C@](C)(O)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756555080 621647991 /nfs/dbraw/zinc/64/79/91/621647991.db2.gz RRFQNFOIGMUYPM-SDBXPKJASA-N 0 0 320.202 3.105 20 10 DGCDRN COc1cccc([C@H](O)C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756563014 621649145 /nfs/dbraw/zinc/64/91/45/621649145.db2.gz KXGMJTGNTKLQFY-QLJPJBMISA-N 0 0 323.339 3.063 20 10 DGCDRN CC[C@H]1CCCCN1CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756575325 621650026 /nfs/dbraw/zinc/65/00/26/621650026.db2.gz PDTRORZJYHPYGG-KBPBESRZSA-N 0 0 321.421 3.216 20 10 DGCDRN Cc1ccnc(CN(Cc2ccco2)Cc2ccccc2O)n1 ZINC000756586183 621651138 /nfs/dbraw/zinc/65/11/38/621651138.db2.gz MZEVDCHGWIDMIS-UHFFFAOYSA-N 0 0 309.369 3.286 20 10 DGCDRN C[C@H](CCO)[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756592390 621651785 /nfs/dbraw/zinc/65/17/85/621651785.db2.gz HYOCRAZIHIYRFN-HTQZYQBOSA-N 0 0 322.630 3.230 20 10 DGCDRN C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756613914 621652817 /nfs/dbraw/zinc/65/28/17/621652817.db2.gz RSKDWKNPVDKZID-SPGJAERMSA-N 0 0 320.389 3.155 20 10 DGCDRN C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756613911 621652828 /nfs/dbraw/zinc/65/28/28/621652828.db2.gz RSKDWKNPVDKZID-GDJRKYJOSA-N 0 0 320.389 3.155 20 10 DGCDRN CC[C@@H](O)CC[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756657654 621656581 /nfs/dbraw/zinc/65/65/81/621656581.db2.gz FAECDOMEWUBJJE-DTWKUNHWSA-N 0 0 320.202 3.105 20 10 DGCDRN CCn1c(C)cc(C(=O)CN(C)c2ccc3c(c2)OCO3)c1C ZINC000756654793 621656793 /nfs/dbraw/zinc/65/67/93/621656793.db2.gz YZGZWZIURYJVQF-UHFFFAOYSA-N 0 0 314.385 3.173 20 10 DGCDRN C[C@@H]([NH2+][C@@H](CCO)C1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756660181 621657023 /nfs/dbraw/zinc/65/70/23/621657023.db2.gz KJIGIIVNAKOEEU-WBMJQRKESA-N 0 0 322.405 3.282 20 10 DGCDRN C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756678119 621658244 /nfs/dbraw/zinc/65/82/44/621658244.db2.gz UWHLHIGWZHVGGI-ZETOZRRWSA-N 0 0 320.345 3.056 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCSC(C)(C)C)c1 ZINC000756681096 621658291 /nfs/dbraw/zinc/65/82/91/621658291.db2.gz FXYOCRIIWFCFDJ-LLVKDONJSA-N 0 0 311.447 3.361 20 10 DGCDRN C[C@H](c1ccccc1)[C@@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756713187 621659573 /nfs/dbraw/zinc/65/95/73/621659573.db2.gz VWMMOGDFACQNTQ-IIYDPXPESA-N 0 0 303.377 3.347 20 10 DGCDRN C[C@H]([NH2+][C@H](CO)[C@@H](C)c1ccccc1)c1ccc(F)cc1[O-] ZINC000756713185 621659811 /nfs/dbraw/zinc/65/98/11/621659811.db2.gz VWMMOGDFACQNTQ-GDZNZVCISA-N 0 0 303.377 3.347 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCc2ccc(C)cc2)c1 ZINC000756710483 621659910 /nfs/dbraw/zinc/65/99/10/621659910.db2.gz CPPQWOYNPZBCSI-CQSZACIVSA-N 0 0 313.397 3.381 20 10 DGCDRN CSC1(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CCOCC1 ZINC000756733989 621661486 /nfs/dbraw/zinc/66/14/86/621661486.db2.gz SOBRREMVNKXVIP-SNVBAGLBSA-N 0 0 317.401 3.233 20 10 DGCDRN C[C@H]([NH2+]CC[C@@H]1COc2ccccc2O1)c1ccc(F)cc1[O-] ZINC000756763262 621662589 /nfs/dbraw/zinc/66/25/89/621662589.db2.gz WIPUAERFZWJMEE-GXTWGEPZSA-N 0 0 317.360 3.412 20 10 DGCDRN COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])C2 ZINC000756774578 621663956 /nfs/dbraw/zinc/66/39/56/621663956.db2.gz KBKWPFHDYNPMJO-FZMZJTMJSA-N 0 0 317.360 3.194 20 10 DGCDRN C[C@H]([NH2+]CCSCC(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756780913 621664309 /nfs/dbraw/zinc/66/43/09/621664309.db2.gz ZDIAMVPWDFJXGM-QMMMGPOBSA-N 0 0 324.324 3.247 20 10 DGCDRN CCCC(O)(CCC)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000756784647 621664317 /nfs/dbraw/zinc/66/43/17/621664317.db2.gz VUFXTXWJOHWNLL-UHFFFAOYSA-N 0 0 320.477 3.432 20 10 DGCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2ccc(OC)cc2)c1 ZINC000756794810 621665294 /nfs/dbraw/zinc/66/52/94/621665294.db2.gz DFYGLJMCNJHVEH-NSHDSACASA-N 0 0 301.342 3.361 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CC3CCC2CC3)c1 ZINC000756845333 621667923 /nfs/dbraw/zinc/66/79/23/621667923.db2.gz UBNCTLCQNSGEFS-ITDKRANNSA-N 0 0 303.402 3.408 20 10 DGCDRN Cc1nc(NCc2ccc(N3CCOCC3)c(F)c2)sc1C ZINC000756959623 621675944 /nfs/dbraw/zinc/67/59/44/621675944.db2.gz QRSLHMLXWZDCOD-UHFFFAOYSA-N 0 0 321.421 3.348 20 10 DGCDRN CCOc1cc(C)ccc1CNC(=O)NCc1ccccc1O ZINC000756968922 621676376 /nfs/dbraw/zinc/67/63/76/621676376.db2.gz DSOQVGGZPAXIPL-UHFFFAOYSA-N 0 0 314.385 3.099 20 10 DGCDRN [NH3+]C[C@@H]1CN(Cc2cccc(Cl)c2[O-])CC[C@H]1C(F)(F)F ZINC000863645973 621693383 /nfs/dbraw/zinc/69/33/83/621693383.db2.gz OZHJDYCLPVBECJ-GHMZBOCLSA-N 0 0 322.758 3.005 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2cc(C)ncn2)cc1 ZINC000757233258 621694552 /nfs/dbraw/zinc/69/45/52/621694552.db2.gz ZEYVVFSUYYYPCA-UHFFFAOYSA-N 0 0 320.396 3.123 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCc2cccs2)c1 ZINC000103505253 621697624 /nfs/dbraw/zinc/69/76/24/621697624.db2.gz INLMAGGWJLYEHO-NSHDSACASA-N 0 0 320.414 3.065 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCC[C@H](C)C2)c1 ZINC000103512970 621698413 /nfs/dbraw/zinc/69/84/13/621698413.db2.gz MACLEXOCICBACQ-RWMBFGLXSA-N 0 0 306.406 3.340 20 10 DGCDRN O=C(NCc1ccccc1O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000839613692 621700373 /nfs/dbraw/zinc/70/03/73/621700373.db2.gz WTGRKEJILGXQDC-UHFFFAOYSA-N 0 0 324.424 3.308 20 10 DGCDRN COc1cc2c(c(OC)c1)N(Cc1nc(C(C)C)no1)CCC2 ZINC000839653894 621704414 /nfs/dbraw/zinc/70/44/14/621704414.db2.gz JHUZESJDTKRQIT-UHFFFAOYSA-N 0 0 317.389 3.163 20 10 DGCDRN COc1cc2c(c(OC)c1)N(Cc1nnc(C(C)C)o1)CCC2 ZINC000839656875 621704984 /nfs/dbraw/zinc/70/49/84/621704984.db2.gz WBECVZRQDIFZPH-UHFFFAOYSA-N 0 0 317.389 3.163 20 10 DGCDRN COc1cc2c(c(OC)c1)N(Cc1cnc(C)s1)CCC2 ZINC000839656818 621704987 /nfs/dbraw/zinc/70/49/87/621704987.db2.gz TWJRFTIWANGCEL-UHFFFAOYSA-N 0 0 304.415 3.422 20 10 DGCDRN COc1cc2c(c(OC)c1)N(Cc1nc(C)c(C)o1)CCC2 ZINC000839657067 621704998 /nfs/dbraw/zinc/70/49/98/621704998.db2.gz ZTPIORRZUGLGFL-UHFFFAOYSA-N 0 0 302.374 3.261 20 10 DGCDRN CCCCCCO[C@H](C)C(=O)NCc1cc(OC)ccc1O ZINC000839685018 621707319 /nfs/dbraw/zinc/70/73/19/621707319.db2.gz SXGWBAQRDMSQKO-CYBMUJFWSA-N 0 0 309.406 3.002 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H](C)CCCO ZINC000757440802 621711314 /nfs/dbraw/zinc/71/13/14/621711314.db2.gz ZAVWTFGYALEZNB-CQSZACIVSA-N 0 0 314.429 3.293 20 10 DGCDRN CN1CCC[C@@H](NC(=O)C2=CC(=O)CS2)c2ccccc21 ZINC000839788130 621724916 /nfs/dbraw/zinc/72/49/16/621724916.db2.gz YJYBMLLWAUCVFB-CYBMUJFWSA-N 0 0 302.399 3.155 20 10 DGCDRN CCOc1ccc(CNc2cc(C(N)=O)ccc2Cl)c(O)c1 ZINC000863996462 621725102 /nfs/dbraw/zinc/72/51/02/621725102.db2.gz XLSHWDIYVULQQK-UHFFFAOYSA-N 0 0 320.776 3.155 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC2CCCCCC2)c1 ZINC000103594676 621725156 /nfs/dbraw/zinc/72/51/56/621725156.db2.gz KNZIYRVBXIONHA-LBPRGKRZSA-N 0 0 306.406 3.484 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)c2cncc(F)c2)c1 ZINC000757640831 621730672 /nfs/dbraw/zinc/73/06/72/621730672.db2.gz VBANEELDYAXJOW-WDEREUQCSA-N 0 0 318.348 3.125 20 10 DGCDRN C[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1nccs1 ZINC000757701288 621734473 /nfs/dbraw/zinc/73/44/73/621734473.db2.gz YHVJVTKXBFPCGZ-UWVGGRQHSA-N 0 0 307.375 3.211 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)NCCCF)cc2)CC1 ZINC000119856894 621738948 /nfs/dbraw/zinc/73/89/48/621738948.db2.gz OZZZZRJODBHFDG-UHFFFAOYSA-N 0 0 307.413 3.082 20 10 DGCDRN C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C ZINC000758320842 621774839 /nfs/dbraw/zinc/77/48/39/621774839.db2.gz ZMKOERFHWOABSG-IIAWOOMASA-N 0 0 303.450 3.377 20 10 DGCDRN CN(C)c1cc(F)c(C[NH2+]CCCC(C)(C)C(=O)[O-])cc1F ZINC000864505355 621775206 /nfs/dbraw/zinc/77/52/06/621775206.db2.gz ISKIIYIYRWYZLP-UHFFFAOYSA-N 0 0 314.376 3.011 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CC12CCCC2 ZINC000758369941 621777716 /nfs/dbraw/zinc/77/77/16/621777716.db2.gz VQRSKGQRIKSLCM-KRWDZBQOSA-N 0 0 313.445 3.419 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CCC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000758470808 621784204 /nfs/dbraw/zinc/78/42/04/621784204.db2.gz GBTCXCQEDJDVKA-XQRVVYSFSA-N 0 0 316.357 3.161 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000758546595 621788059 /nfs/dbraw/zinc/78/80/59/621788059.db2.gz QJKVANUMBBOXQN-JTQLQIEISA-N 0 0 307.752 3.147 20 10 DGCDRN CC(C)(C)Oc1cccc(COC(=O)c2cccc(O)c2O)n1 ZINC000758559998 621789430 /nfs/dbraw/zinc/78/94/30/621789430.db2.gz UKANXQKSSMMSLO-UHFFFAOYSA-N 0 0 317.341 3.027 20 10 DGCDRN CC[C@]1(C)CCN(C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000758781500 621801514 /nfs/dbraw/zinc/80/15/14/621801514.db2.gz XGHDKUYAYPOVGQ-GOSISDBHSA-N 0 0 303.450 3.393 20 10 DGCDRN CC[C@@]1(C)CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000758802081 621801986 /nfs/dbraw/zinc/80/19/86/621801986.db2.gz IYPFTWYUMJDDGG-IBGZPJMESA-N 0 0 313.445 3.394 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@@H](C)O[C@H]1C ZINC000864949038 621835591 /nfs/dbraw/zinc/83/55/91/621835591.db2.gz FQQBWSMWJAPWHE-VKJFTORMSA-N 0 0 318.461 3.303 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CC23CCCC3)c1 ZINC000759304547 621844570 /nfs/dbraw/zinc/84/45/70/621844570.db2.gz IDLUHWVOQSMWRT-ABAIWWIYSA-N 0 0 304.390 3.094 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)c1ccncc1 ZINC000865027111 621848102 /nfs/dbraw/zinc/84/81/02/621848102.db2.gz HFNHHWQLSZHRPY-OAHLLOKOSA-N 0 0 311.429 3.300 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)c1ccncc1 ZINC000865027110 621848105 /nfs/dbraw/zinc/84/81/05/621848105.db2.gz HFNHHWQLSZHRPY-HNNXBMFYSA-N 0 0 311.429 3.300 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NCC2CCC(C)(C)CC2)c1 ZINC000759434959 621857950 /nfs/dbraw/zinc/85/79/50/621857950.db2.gz GPXPGRVLQBJLCM-UHFFFAOYSA-N 0 0 320.433 3.416 20 10 DGCDRN CCCC1(CNC(=O)NCc2ccc(N(C)C)cc2C)CC1 ZINC000759770174 621888755 /nfs/dbraw/zinc/88/87/55/621888755.db2.gz JWBLELWYQAKDTB-UHFFFAOYSA-N 0 0 303.450 3.441 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CC23CCC3)cc1F ZINC000759788268 621889859 /nfs/dbraw/zinc/88/98/59/621889859.db2.gz TVPZLMHNHZCJDP-AWEZNQCLSA-N 0 0 304.409 3.478 20 10 DGCDRN CCCc1nnc(NCc2c(O)cccc2Br)o1 ZINC000865289543 621890438 /nfs/dbraw/zinc/89/04/38/621890438.db2.gz PBVNYYRMHVAYDT-UHFFFAOYSA-N 0 0 312.167 3.102 20 10 DGCDRN COC(=O)c1coc([C@@H](C)Sc2ncc(Cl)s2)n1 ZINC000865372285 621904479 /nfs/dbraw/zinc/90/44/79/621904479.db2.gz OQPQLTXLFBBFJI-RXMQYKEDSA-N 0 0 304.780 3.424 20 10 DGCDRN C[C@@H]([NH2+][C@@H](CO)CC(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000760049497 621913086 /nfs/dbraw/zinc/91/30/86/621913086.db2.gz GLTOZTSXLBTOGS-RNFRBKRXSA-N 0 0 314.159 3.366 20 10 DGCDRN C[C@H](Nc1ccc(N2CCCC2)nn1)c1ccc(N(C)C)cc1 ZINC000865685316 621977975 /nfs/dbraw/zinc/97/79/75/621977975.db2.gz YHWXFYPDWKHSKN-AWEZNQCLSA-N 0 0 311.433 3.316 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c1 ZINC000865690136 621978442 /nfs/dbraw/zinc/97/84/42/621978442.db2.gz WERYCQCSIZZWTI-GIPNMCIBSA-N 0 0 314.223 3.119 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)C2SCCS2)cc1 ZINC000761138796 621989998 /nfs/dbraw/zinc/98/99/98/621989998.db2.gz SOTBMHMMSVDDHW-UHFFFAOYSA-N 0 0 324.515 3.297 20 10 DGCDRN COc1cc(Cl)cc(CNc2cccc3c2OCO3)c1O ZINC000761217652 621995060 /nfs/dbraw/zinc/99/50/60/621995060.db2.gz WWLCSDFNSUNMBP-UHFFFAOYSA-N 0 0 307.733 3.395 20 10 DGCDRN CCc1nn(C)c(Cl)c1CN(C)c1ccc(OC)c(OC)c1 ZINC000761222948 621995822 /nfs/dbraw/zinc/99/58/22/621995822.db2.gz VCOIDFXMNSQWEZ-UHFFFAOYSA-N 0 0 323.824 3.290 20 10 DGCDRN CCC1([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCOCC1 ZINC000761335470 622001769 /nfs/dbraw/zinc/00/17/69/622001769.db2.gz SKSSMCFYRUMGDT-UHFFFAOYSA-N 0 0 314.769 3.003 20 10 DGCDRN COc1nc(Br)ccc1NCc1cccc(C)c1O ZINC000789597109 625532692 /nfs/dbraw/zinc/53/26/92/625532692.db2.gz YLJIWSLVQFJXJD-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN CCO[C@@H](CC(=O)NCc1c(O)ccc2c1CCCC2)C(C)C ZINC000761569766 622018019 /nfs/dbraw/zinc/01/80/19/622018019.db2.gz SCDXSPFGIGSMPE-SFHVURJKSA-N 0 0 319.445 3.338 20 10 DGCDRN CCn1cnc2c1nc(Cl)nc2NCc1cc(C)ccc1O ZINC000865968713 622027220 /nfs/dbraw/zinc/02/72/20/622027220.db2.gz VHFBDSCEFJYHKJ-UHFFFAOYSA-N 0 0 317.780 3.126 20 10 DGCDRN Oc1cccc2c1CN(c1nccn3nc(C4CCC4)cc13)C2 ZINC000866117392 622048402 /nfs/dbraw/zinc/04/84/02/622048402.db2.gz NDUFOFVEGLRLJP-UHFFFAOYSA-N 0 0 306.369 3.223 20 10 DGCDRN Oc1cccc2c1CN(c1ncnc3sc4c(c31)CCC4)C2 ZINC000866120282 622048878 /nfs/dbraw/zinc/04/88/78/622048878.db2.gz YRIJBZFGKRCQQR-UHFFFAOYSA-N 0 0 309.394 3.406 20 10 DGCDRN CSC1(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000789615540 625537658 /nfs/dbraw/zinc/53/76/58/625537658.db2.gz AUGLWSXAYSFQDR-UHFFFAOYSA-N 0 0 304.459 3.139 20 10 DGCDRN CN(C)c1ccc(CNc2ccccc2C[S@@](C)=O)cc1F ZINC000762556389 622083268 /nfs/dbraw/zinc/08/32/68/622083268.db2.gz QGXUAMSSWCTWGH-JOCHJYFZSA-N 0 0 320.433 3.382 20 10 DGCDRN COc1ccc(N(C)Cc2ccc(OC(C)=O)cc2)cc1OC ZINC000762627281 622087614 /nfs/dbraw/zinc/08/76/14/622087614.db2.gz AUOWTZBPLRYPKI-UHFFFAOYSA-N 0 0 315.369 3.266 20 10 DGCDRN CCOc1ccc(CNc2ccc(C(=O)OC)cc2)c(O)c1 ZINC000762643263 622088959 /nfs/dbraw/zinc/08/89/59/622088959.db2.gz CZWDCGKYMMQLIT-UHFFFAOYSA-N 0 0 301.342 3.190 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@@H](C)CCO ZINC000763005695 622115731 /nfs/dbraw/zinc/11/57/31/622115731.db2.gz IXXRNIWMJXGLAG-AWEZNQCLSA-N 0 0 314.429 3.151 20 10 DGCDRN C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])CC1(C)OCCO1 ZINC000866427019 622116616 /nfs/dbraw/zinc/11/66/16/622116616.db2.gz GWNDAMQUVFWDAG-RYUDHWBXSA-N 0 0 313.825 3.485 20 10 DGCDRN C[C@@H]([NH2+]CC[C@H](O)C(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000866442259 622118559 /nfs/dbraw/zinc/11/85/59/622118559.db2.gz HYGCRZWVGNZEBW-XCBNKYQSSA-N 0 0 313.266 3.078 20 10 DGCDRN C[C@H]([NH2+]CC[C@H](O)C(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000866442260 622118751 /nfs/dbraw/zinc/11/87/51/622118751.db2.gz HYGCRZWVGNZEBW-XVKPBYJWSA-N 0 0 313.266 3.078 20 10 DGCDRN Cc1ncc([C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000866454458 622121278 /nfs/dbraw/zinc/12/12/78/622121278.db2.gz CQLUGAMZZWRUOP-BDAKNGLRSA-N 0 0 307.375 3.477 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1cccc(Cl)c1[O-] ZINC000866463949 622122434 /nfs/dbraw/zinc/12/24/34/622122434.db2.gz REZLSYOKJFSGQM-JWYUURKGSA-N 0 0 311.731 3.398 20 10 DGCDRN C/C=C/C[C@H](NCc1cc(Cl)cc(C)c1O)C(=O)OCC ZINC000763361417 622140714 /nfs/dbraw/zinc/14/07/14/622140714.db2.gz KILOWADIHMOZLM-YVZNUBBCSA-N 0 0 311.809 3.342 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC(=O)[C@@H](C)C1 ZINC000763477294 622147597 /nfs/dbraw/zinc/14/75/97/622147597.db2.gz FSEFLHOTVZKHBC-HOCLYGCPSA-N 0 0 316.445 3.106 20 10 DGCDRN COC(=O)c1cc(CN(C)c2ccc(OC(C)C)cc2)c[nH]1 ZINC000763541770 622151460 /nfs/dbraw/zinc/15/14/60/622151460.db2.gz UNWLHAPOIWQRBI-UHFFFAOYSA-N 0 0 302.374 3.225 20 10 DGCDRN CN1CCCc2cc(CNC(=O)OCCC(F)(F)F)ccc21 ZINC000866673797 622155157 /nfs/dbraw/zinc/15/51/57/622155157.db2.gz IUEXHCMALCNLEK-UHFFFAOYSA-N 0 0 316.323 3.248 20 10 DGCDRN COc1ccc(N(CC(C)C)C[C@H]2CC3(CC3)C(=O)O2)cc1 ZINC000763724245 622160255 /nfs/dbraw/zinc/16/02/55/622160255.db2.gz PSISGDAEAZJOSF-MRXNPFEDSA-N 0 0 303.402 3.253 20 10 DGCDRN C[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)c1ccncc1 ZINC000866770731 622163149 /nfs/dbraw/zinc/16/31/49/622163149.db2.gz CPWZCCMTGKFFGA-ZDUSSCGKSA-N 0 0 310.397 3.086 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)C1CC2(CSC2)C1 ZINC000866770860 622163270 /nfs/dbraw/zinc/16/32/70/622163270.db2.gz HIDKBGJJNFYLKT-UHFFFAOYSA-N 0 0 317.454 3.030 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(C=O)s1)c1ccc(N(C)C)cc1 ZINC000867503322 622169469 /nfs/dbraw/zinc/16/94/69/622169469.db2.gz JWECGWMVCXRJCE-LLVKDONJSA-N 0 0 302.399 3.118 20 10 DGCDRN C[C@@H](NC(=O)C1CC2(CSC2)C1)c1ccc(N(C)C)cc1 ZINC000867503925 622169697 /nfs/dbraw/zinc/16/96/97/622169697.db2.gz QOYXPYJHUSTVCD-GFCCVEGCSA-N 0 0 304.459 3.073 20 10 DGCDRN CO/C(=C\c1ccccc1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000763995309 622173935 /nfs/dbraw/zinc/17/39/35/622173935.db2.gz MILIWWJGUZGUSF-RGEXLXHISA-N 0 0 324.424 3.399 20 10 DGCDRN CO[C@@H](CNC(=O)C1=CC(=O)CS1)c1ccccc1Cl ZINC000764341155 622189369 /nfs/dbraw/zinc/18/93/69/622189369.db2.gz CWLRLQPMYBFZNS-LBPRGKRZSA-N 0 0 311.790 3.225 20 10 DGCDRN C/C=C(/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1)CC ZINC000764528228 622200800 /nfs/dbraw/zinc/20/08/00/622200800.db2.gz PSTYIUNMYCJHBB-XWRQRNCWSA-N 0 0 314.429 3.256 20 10 DGCDRN Cc1ccccc1OCCNC(=O)N[C@H](C)c1ccccc1O ZINC000868125769 622216518 /nfs/dbraw/zinc/21/65/18/622216518.db2.gz HMGKDJGFLXPRFA-CQSZACIVSA-N 0 0 314.385 3.140 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1)c1ccccc1O ZINC000868165217 622220994 /nfs/dbraw/zinc/22/09/94/622220994.db2.gz ZYEJTECMRHLWQG-HFBAOOFYSA-N 0 0 314.360 3.448 20 10 DGCDRN CCO[C@@H](CCNC(=O)N[C@H](C)c1ccccc1O)C(C)C ZINC000868328500 622235304 /nfs/dbraw/zinc/23/53/04/622235304.db2.gz HEFKWUYKDDRPGW-CJNGLKHVSA-N 0 0 308.422 3.204 20 10 DGCDRN [O-]c1c(Br)cccc1C[NH2+]CCOCC1CCC1 ZINC000764978427 622237301 /nfs/dbraw/zinc/23/73/01/622237301.db2.gz ZJUHNFHDFPVWCG-UHFFFAOYSA-N 0 0 314.223 3.061 20 10 DGCDRN Cc1nc(CCNC(=O)N[C@@H](C)c2ccccc2O)sc1C ZINC000868409187 622241329 /nfs/dbraw/zinc/24/13/29/622241329.db2.gz NVNUUBWEESKWHZ-NSHDSACASA-N 0 0 319.430 3.068 20 10 DGCDRN Cc1ccc2c(c1)[C@H](NC(=O)N[C@H](C)c1ccccc1O)CO2 ZINC000868410938 622241809 /nfs/dbraw/zinc/24/18/09/622241809.db2.gz QTAHKZZPPXTMAQ-IUODEOHRSA-N 0 0 312.369 3.195 20 10 DGCDRN C[C@H](NC(=O)NCCCc1cccs1)c1ccccc1O ZINC000868467977 622246381 /nfs/dbraw/zinc/24/63/81/622246381.db2.gz RTQKJFBOKPKQLO-LBPRGKRZSA-N 0 0 304.415 3.447 20 10 DGCDRN CS[C@H]1C[C@H](NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000868515675 622253061 /nfs/dbraw/zinc/25/30/61/622253061.db2.gz PKDAKMUCNNZKAF-WHOFXGATSA-N 0 0 307.463 3.007 20 10 DGCDRN CO[C@@H]1CC[C@@H](C)N(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000868515927 622253173 /nfs/dbraw/zinc/25/31/73/622253173.db2.gz XDEUFTMTXAASBT-CKEIUWERSA-N 0 0 319.449 3.023 20 10 DGCDRN COc1ccc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2=O)cc1C ZINC000765266960 622255496 /nfs/dbraw/zinc/25/54/96/622255496.db2.gz NFQQKEAIZZBYSN-QGZVFWFLSA-N 0 0 316.445 3.027 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC2(CO)CCCC2)cc1 ZINC000765419166 622264473 /nfs/dbraw/zinc/26/44/73/622264473.db2.gz AUAHZNHJJQXYGP-UHFFFAOYSA-N 0 0 312.413 3.129 20 10 DGCDRN C[C@H](NC(=O)NC[C@@H]1CCOC2(CCC2)C1)c1ccccc1O ZINC000868668711 622270914 /nfs/dbraw/zinc/27/09/14/622270914.db2.gz PLPXNCNXFSVYHK-UONOGXRCSA-N 0 0 318.417 3.102 20 10 DGCDRN COC[C@H](CC(C)(C)C)NC(=O)N[C@H](C)c1ccccc1O ZINC000868752530 622281021 /nfs/dbraw/zinc/28/10/21/622281021.db2.gz POCJLYRQPXXYOS-OLZOCXBDSA-N 0 0 308.422 3.204 20 10 DGCDRN CC[C@H](NC(=O)N[C@@H](C)c1ccccc1O)[C@H]1CCCCO1 ZINC000868754253 622281632 /nfs/dbraw/zinc/28/16/32/622281632.db2.gz HLIQCOPCJIGJTJ-DUVNUKRYSA-N 0 0 306.406 3.100 20 10 DGCDRN Cc1ccc(C(=O)NCc2cccc(Br)c2O)cc1 ZINC000765745987 622284800 /nfs/dbraw/zinc/28/48/00/622284800.db2.gz BJZSEJJORVMRFR-UHFFFAOYSA-N 0 0 320.186 3.393 20 10 DGCDRN O=C(NCc1cccc(Br)c1O)[C@@H]1CC12CCCC2 ZINC000765768299 622285949 /nfs/dbraw/zinc/28/59/49/622285949.db2.gz IQGONQMOEIDWER-NSHDSACASA-N 0 0 324.218 3.351 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@H](C)[C@@H]2C)cc1 ZINC000765982727 622298420 /nfs/dbraw/zinc/29/84/20/622298420.db2.gz IKQAILGMDONVMP-JKSUJKDBSA-N 0 0 312.413 3.344 20 10 DGCDRN Cc1ncc([C@H](C)NC(=O)NCc2cc(C)ccc2O)s1 ZINC000868934290 622301056 /nfs/dbraw/zinc/30/10/56/622301056.db2.gz JGQDCMVFFCIWBU-JTQLQIEISA-N 0 0 305.403 3.026 20 10 DGCDRN CCOc1ccc(CNc2cccc3c2OCC[C@H]3O)c(O)c1 ZINC000766086522 622304758 /nfs/dbraw/zinc/30/47/58/622304758.db2.gz ZGSUEVOODCRBIJ-MRXNPFEDSA-N 0 0 315.369 3.219 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)CC2CCC2)c1 ZINC000868983470 622306153 /nfs/dbraw/zinc/30/61/53/622306153.db2.gz DXFRVSJITLUVRW-RYUDHWBXSA-N 0 0 306.406 3.340 20 10 DGCDRN COCC1(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1 ZINC000766119450 622307134 /nfs/dbraw/zinc/30/71/34/622307134.db2.gz IZYFIKNBNYJPKI-UHFFFAOYSA-N 0 0 312.413 3.311 20 10 DGCDRN COc1ccc2c(c1)CCCCN2CC(=O)Nc1ccccc1 ZINC000766268906 622316271 /nfs/dbraw/zinc/31/62/71/622316271.db2.gz HANOQTHDTZDOMI-UHFFFAOYSA-N 0 0 310.397 3.477 20 10 DGCDRN COc1ccc2c(c1)CCCCN2Cc1ncc(Cl)n1C ZINC000766267915 622316324 /nfs/dbraw/zinc/31/63/24/622316324.db2.gz DDVFRADCTJKNTG-UHFFFAOYSA-N 0 0 305.809 3.425 20 10 DGCDRN C[C@@H](NC(=O)NCC(C)(C)C(C)(F)F)c1ccccc1O ZINC000869071743 622316608 /nfs/dbraw/zinc/31/66/08/622316608.db2.gz NZMSCFXPUATECM-SNVBAGLBSA-N 0 0 300.349 3.434 20 10 DGCDRN CCC[C@@H]1CC(=O)N(CN2CCCc3cc(OC)ccc32)C1 ZINC000766341921 622322970 /nfs/dbraw/zinc/32/29/70/622322970.db2.gz URBKEPXSCLGQQQ-CQSZACIVSA-N 0 0 302.418 3.054 20 10 DGCDRN CC[C@@H](C)OCC(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000129237419 625561469 /nfs/dbraw/zinc/56/14/69/625561469.db2.gz CBJUMGLRTIDJQQ-CYBMUJFWSA-N 0 0 310.413 3.103 20 10 DGCDRN O=C(Nc1cccc(N2CCCC2)c1)c1ccc(O)c(F)c1 ZINC000767293686 622388296 /nfs/dbraw/zinc/38/82/96/622388296.db2.gz JNCBTJJQECZLRP-UHFFFAOYSA-N 0 0 300.333 3.384 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)NCc2ccco2)cc1 ZINC000789760563 625562175 /nfs/dbraw/zinc/56/21/75/625562175.db2.gz XKKHIFBWRHMDES-UHFFFAOYSA-N 0 0 315.417 3.467 20 10 DGCDRN CCS[C@@H](C)c1noc(COC(=O)C2=CC(=O)CS2)n1 ZINC000767347749 622391808 /nfs/dbraw/zinc/39/18/08/622391808.db2.gz TVRYJPMDJTVOEV-ZETCQYMHSA-N 0 0 314.388 3.008 20 10 DGCDRN CCOc1ccc(N(CC2CC2)C(=O)/C=C\c2cnccn2)cc1 ZINC000869718713 622395674 /nfs/dbraw/zinc/39/56/74/622395674.db2.gz CPGKZKNAGXKGMO-YHYXMXQVSA-N 0 0 323.396 3.332 20 10 DGCDRN CCN1C(=O)/C(=C\c2cc(F)c(F)cc2F)SC1=S ZINC000767707639 622417735 /nfs/dbraw/zinc/41/77/35/622417735.db2.gz QKJCUKQMYAFHFY-ONNFQVAWSA-N 0 0 303.330 3.325 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@H]2CCCC(F)(F)C2)cc1 ZINC000767845357 622424410 /nfs/dbraw/zinc/42/44/10/622424410.db2.gz SHAZPRHQJIEBHA-ZDUSSCGKSA-N 0 0 311.376 3.130 20 10 DGCDRN O=C(NCc1ccccc1O)c1ccc(F)cc1C(F)(F)F ZINC000767925997 622428728 /nfs/dbraw/zinc/42/87/28/622428728.db2.gz HCIFEYJSQZQWFS-UHFFFAOYSA-N 0 0 313.250 3.480 20 10 DGCDRN CCc1c(C(=O)NCc2ccccc2O)cnn1C1CCCC1 ZINC000789817534 625569548 /nfs/dbraw/zinc/56/95/48/625569548.db2.gz ZNJRQOUMLXNVIA-UHFFFAOYSA-N 0 0 313.401 3.196 20 10 DGCDRN CCCN(CCC)c1ccc(CN(C)CC(=O)NC(C)C)cc1 ZINC000768204452 622445428 /nfs/dbraw/zinc/44/54/28/622445428.db2.gz ZOSABZLXAHBYDL-UHFFFAOYSA-N 0 0 319.493 3.269 20 10 DGCDRN CCC(=O)CNC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000768366652 622452602 /nfs/dbraw/zinc/45/26/02/622452602.db2.gz BNDGMHIAAYLYRT-UHFFFAOYSA-N 0 0 312.413 3.420 20 10 DGCDRN C[C@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)c2ccccc21 ZINC000768462490 622458189 /nfs/dbraw/zinc/45/81/89/622458189.db2.gz LYURVGAVWMBGRU-KPZWWZAWSA-N 0 0 311.381 3.332 20 10 DGCDRN CC(C)OC(=O)[C@@H](C)N(C)Cc1cc2c(cc1O)CCCC2 ZINC000768464246 622458299 /nfs/dbraw/zinc/45/82/99/622458299.db2.gz PIWGHTOFFFZRBR-CYBMUJFWSA-N 0 0 305.418 3.043 20 10 DGCDRN CCOC(=O)[C@H]1CCCN1Cc1ccc(N(CC)CC)cc1 ZINC000768532325 622462391 /nfs/dbraw/zinc/46/23/91/622462391.db2.gz FGIJQWZLHKILHJ-QGZVFWFLSA-N 0 0 304.434 3.060 20 10 DGCDRN CCCCOc1ccc(C(=O)NCc2ccccc2O)c(O)c1 ZINC000789816845 625569150 /nfs/dbraw/zinc/56/91/50/625569150.db2.gz PPXJJTKZPWDJGF-UHFFFAOYSA-N 0 0 315.369 3.207 20 10 DGCDRN CCOc1cccc(CNc2ccccc2OCCOC)c1O ZINC000123193499 622480091 /nfs/dbraw/zinc/48/00/91/622480091.db2.gz HFNLRUWYVZMNOB-UHFFFAOYSA-N 0 0 317.385 3.428 20 10 DGCDRN O=S(=O)(/C=C\c1cccc(Cl)c1)NCc1ccccc1O ZINC000768845786 622480711 /nfs/dbraw/zinc/48/07/11/622480711.db2.gz GVMWHRGHXPHMAS-HJWRWDBZSA-N 0 0 323.801 3.136 20 10 DGCDRN C[C@H](CCC1CC1)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000768971163 622488978 /nfs/dbraw/zinc/48/89/78/622488978.db2.gz ZGGOGPRCOUEYFU-GFCCVEGCSA-N 0 0 307.413 3.270 20 10 DGCDRN CC[C@@H](C)[C@@H](NC(=O)c1ccc(C)c(O)c1O)C(F)(F)F ZINC000769080276 622497271 /nfs/dbraw/zinc/49/72/71/622497271.db2.gz AEKSQKCPFYJEKF-JMCQJSRRSA-N 0 0 305.296 3.113 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)CC(F)F ZINC000769121062 622500272 /nfs/dbraw/zinc/50/02/72/622500272.db2.gz PDLYMNBLTXTULN-UHFFFAOYSA-N 0 0 313.348 3.282 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCC(F)(F)c1ccccc1 ZINC000789859945 625571767 /nfs/dbraw/zinc/57/17/67/625571767.db2.gz BSIDGARBQVFJHB-CLFYSBASSA-N 0 0 319.307 3.019 20 10 DGCDRN CCC[N@H+](Cc1cccc(Br)c1[O-])CC(C)(C)O ZINC000769327382 622518167 /nfs/dbraw/zinc/51/81/67/622518167.db2.gz YJASCLCABDTMKF-UHFFFAOYSA-N 0 0 316.239 3.138 20 10 DGCDRN O=C(NCc1ccccc1O)c1ccccc1N1CCCCC1 ZINC000769362989 622520635 /nfs/dbraw/zinc/52/06/35/622520635.db2.gz CUMCAFWSHYZKEX-UHFFFAOYSA-N 0 0 310.397 3.313 20 10 DGCDRN O=C(NCc1ccccc1O)c1cc(-c2ccccc2)ns1 ZINC000769361691 622520748 /nfs/dbraw/zinc/52/07/48/622520748.db2.gz SAXPOCGVBYLEKF-UHFFFAOYSA-N 0 0 310.378 3.446 20 10 DGCDRN CO[C@@H](C)C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)C ZINC000769471677 622530494 /nfs/dbraw/zinc/53/04/94/622530494.db2.gz AXMOLLBFONOXHK-JTQLQIEISA-N 0 0 316.785 3.199 20 10 DGCDRN COc1cccc(O)c1CN1CCO[C@H](c2ccsc2)C1 ZINC000769513385 622536426 /nfs/dbraw/zinc/53/64/26/622536426.db2.gz CKXBMYKPTRJJGM-INIZCTEOSA-N 0 0 305.399 3.036 20 10 DGCDRN COc1cccc2c1nc(-c1ccc(N3CCOCC3)cc1)n2C ZINC000769729109 622554748 /nfs/dbraw/zinc/55/47/48/622554748.db2.gz PHQFDRVDXLFIOC-UHFFFAOYSA-N 0 0 323.396 3.086 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H](OC)C(C)C)cc1 ZINC000769803412 622561930 /nfs/dbraw/zinc/56/19/30/622561930.db2.gz MSGFDRZZTPUOHE-QGZVFWFLSA-N 0 0 306.450 3.162 20 10 DGCDRN O=C(C1CC(OCc2ccccc2)C1)N1Cc2cccc(O)c2C1 ZINC000871203926 622567124 /nfs/dbraw/zinc/56/71/24/622567124.db2.gz VPUXZIAIVOHFMK-UHFFFAOYSA-N 0 0 323.392 3.230 20 10 DGCDRN Cc1cc(N(C)C)cc(C)c1CC(=O)N1Cc2cccc(O)c2C1 ZINC000871204051 622567233 /nfs/dbraw/zinc/56/72/33/622567233.db2.gz BHLPSXLQPDQLTE-UHFFFAOYSA-N 0 0 324.424 3.160 20 10 DGCDRN CCC(CC)n1nc(C)cc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871203623 622567251 /nfs/dbraw/zinc/56/72/51/622567251.db2.gz ORNLRIPSMOENSW-UHFFFAOYSA-N 0 0 313.401 3.414 20 10 DGCDRN Cc1cc(C(=O)N2Cc3cccc(O)c3C2)c(C(F)(F)F)o1 ZINC000871203587 622567411 /nfs/dbraw/zinc/56/74/11/622567411.db2.gz COIJNZHGFLRQRS-UHFFFAOYSA-N 0 0 311.259 3.468 20 10 DGCDRN Cc1noc(C)c1[C@@H](C)CC(=O)N1Cc2cccc(O)c2C1 ZINC000871203561 622567440 /nfs/dbraw/zinc/56/74/40/622567440.db2.gz NHYBBXXWFDJJIG-JTQLQIEISA-N 0 0 300.358 3.033 20 10 DGCDRN O=C(CC[C@@H]1CC1(Cl)Cl)N1Cc2cccc(O)c2C1 ZINC000871205749 622567847 /nfs/dbraw/zinc/56/78/47/622567847.db2.gz KQFMQXPHRMZZDK-SNVBAGLBSA-N 0 0 300.185 3.208 20 10 DGCDRN C[C@@H](COCC(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000871206253 622568185 /nfs/dbraw/zinc/56/81/85/622568185.db2.gz XJONYCNQLSLNAY-AWEZNQCLSA-N 0 0 311.381 3.055 20 10 DGCDRN O=C(N1Cc2cccc(O)c2C1)C1(Cc2ccc(F)cc2)CC1 ZINC000871204875 622568262 /nfs/dbraw/zinc/56/82/62/622568262.db2.gz RJBGEMOFTVGFDN-UHFFFAOYSA-N 0 0 311.356 3.396 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCc2ccon2)cc1 ZINC000770099352 622601237 /nfs/dbraw/zinc/60/12/37/622601237.db2.gz MJVQUXDUFSZXFE-UHFFFAOYSA-N 0 0 309.369 3.055 20 10 DGCDRN CCCN(Cc1ccccc1O)c1ncncc1Br ZINC000770467375 622636601 /nfs/dbraw/zinc/63/66/01/622636601.db2.gz ALCXXCZLMAZUBU-UHFFFAOYSA-N 0 0 322.206 3.361 20 10 DGCDRN Cc1ccc(C(=O)Nc2cccc(Br)c2)c(O)c1O ZINC000770466237 622636702 /nfs/dbraw/zinc/63/67/02/622636702.db2.gz PTYLXKGCVPDKCJ-UHFFFAOYSA-N 0 0 322.158 3.421 20 10 DGCDRN Cc1ccc(C(=O)NC2(c3cccc(Cl)c3)CC2)c(O)c1O ZINC000770501126 622639644 /nfs/dbraw/zinc/63/96/44/622639644.db2.gz CGQTUYMCCCSUHQ-UHFFFAOYSA-N 0 0 317.772 3.479 20 10 DGCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)C2=CCC2)cc1 ZINC000770524210 622642178 /nfs/dbraw/zinc/64/21/78/622642178.db2.gz GHZBYTMZUCQTHP-UHFFFAOYSA-N 0 0 312.335 3.364 20 10 DGCDRN O=S(=O)(CCC1CC1)N(Cc1ccccc1O)C1CCCC1 ZINC000770690404 622661568 /nfs/dbraw/zinc/66/15/68/622661568.db2.gz XDVIYVCXPQMAAT-UHFFFAOYSA-N 0 0 323.458 3.267 20 10 DGCDRN Cc1ccncc1[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000770721911 622664168 /nfs/dbraw/zinc/66/41/68/622664168.db2.gz BGCDBEQXVHYIFH-CQSZACIVSA-N 0 0 312.417 3.016 20 10 DGCDRN COC(=O)c1cnc(S[C@H](Cc2ccccc2)C(C)=O)s1 ZINC000871674351 622664381 /nfs/dbraw/zinc/66/43/81/622664381.db2.gz WGDSFVXFVCPQLI-GFCCVEGCSA-N 0 0 321.423 3.222 20 10 DGCDRN Cc1ncc([N+](=O)[O-])n1CCSc1ncc(Cl)s1 ZINC000871677602 622665267 /nfs/dbraw/zinc/66/52/67/622665267.db2.gz AHXBMLONJDFGAW-UHFFFAOYSA-N 0 0 304.784 3.002 20 10 DGCDRN O=C(NCCCSc1nccs1)c1nc(Cl)cs1 ZINC000789945358 625585086 /nfs/dbraw/zinc/58/50/86/625585086.db2.gz IFOMNSXQCBZPSU-UHFFFAOYSA-N 0 0 319.864 3.165 20 10 DGCDRN Cc1ccccc1C1(CNC(=O)c2c(F)ccc(O)c2O)CC1 ZINC000789972980 625589446 /nfs/dbraw/zinc/58/94/46/625589446.db2.gz AHOYWJMQYHOYQD-UHFFFAOYSA-N 0 0 315.344 3.007 20 10 DGCDRN Oc1cc2c(cc1CN1Cc3ccccc3C(F)(F)C1)OCO2 ZINC000771171980 622722549 /nfs/dbraw/zinc/72/25/49/622722549.db2.gz PIPPPZZBQMXKJM-UHFFFAOYSA-N 0 0 319.307 3.229 20 10 DGCDRN Cc1cccc([C@@H](C)NC(=O)c2c(F)ccc(O)c2O)c1C ZINC000789980279 625590208 /nfs/dbraw/zinc/59/02/08/625590208.db2.gz YUVGRAQDISRVEE-LLVKDONJSA-N 0 0 303.333 3.345 20 10 DGCDRN CC1CCN(c2ccc(CNc3ncc(C=O)cn3)cc2)CC1 ZINC000881961257 625595466 /nfs/dbraw/zinc/59/54/66/625595466.db2.gz URPIJSZTONGHEZ-UHFFFAOYSA-N 0 0 310.401 3.138 20 10 DGCDRN Cc1ccc(C(=O)NCCc2ccc(O)c(O)c2)c(F)c1Cl ZINC000789996419 625591835 /nfs/dbraw/zinc/59/18/35/625591835.db2.gz QYUFJRIXNTYQGS-UHFFFAOYSA-N 0 0 323.751 3.171 20 10 DGCDRN COc1ccc(N2CCN([C@@H](C)c3ncc(C)o3)CC2)cc1F ZINC000771447907 622760907 /nfs/dbraw/zinc/76/09/07/622760907.db2.gz OUDGWIGETHMFLM-ZDUSSCGKSA-N 0 0 319.380 3.014 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC1=NCCS1 ZINC000123931264 622783749 /nfs/dbraw/zinc/78/37/49/622783749.db2.gz JJZHLJGPHLXVNX-UHFFFAOYSA-N 0 0 313.426 3.235 20 10 DGCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)CC2CCC2)cc1 ZINC000771722422 622789799 /nfs/dbraw/zinc/78/97/99/622789799.db2.gz MUIQTDAPDUQVPF-UHFFFAOYSA-N 0 0 324.490 3.095 20 10 DGCDRN CCN(C(=O)Nc1c(-c2ccccn2)nc2ccccn21)C1CC1 ZINC000888593885 622799400 /nfs/dbraw/zinc/79/94/00/622799400.db2.gz NZUOIIBZGABBTK-UHFFFAOYSA-N 0 0 321.384 3.413 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)Cc2ccoc2)cc1 ZINC000771854752 622803431 /nfs/dbraw/zinc/80/34/31/622803431.db2.gz FPMKWFIAJCHEQI-UHFFFAOYSA-N 0 0 300.402 3.327 20 10 DGCDRN C[C@@H]([NH2+]Cc1ncc(Cl)s1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000872117066 622817797 /nfs/dbraw/zinc/81/77/97/622817797.db2.gz YHMXYLIWSYHJSY-SSDOTTSWSA-N 0 0 313.766 3.261 20 10 DGCDRN C[N@H+](Cc1cccc(O)c1)Cc1cccc(Br)c1[O-] ZINC000771934580 622819245 /nfs/dbraw/zinc/81/92/45/622819245.db2.gz AXXUFPOOPBJVNB-UHFFFAOYSA-N 0 0 322.202 3.492 20 10 DGCDRN CCn1cc(-c2nc(Cc3ccc(N)cc3)no2)c(C2CC2)n1 ZINC000872170709 622850188 /nfs/dbraw/zinc/85/01/88/622850188.db2.gz KBGYRSGODMLHPE-UHFFFAOYSA-N 0 0 309.373 3.003 20 10 DGCDRN COc1cc(NS(=O)(=O)CCC2CCCCC2)ccc1O ZINC000872371364 622899068 /nfs/dbraw/zinc/89/90/68/622899068.db2.gz LSRIAFCUFKFMJY-UHFFFAOYSA-N 0 0 313.419 3.113 20 10 DGCDRN O=c1[nH]nc(Cl)cc1NCc1ccc(N2CCCC2)cc1 ZINC000872408885 622906986 /nfs/dbraw/zinc/90/69/86/622906986.db2.gz NGBUOODROYQHNQ-UHFFFAOYSA-N 0 0 304.781 3.048 20 10 DGCDRN CCOCCONC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000772700946 622930103 /nfs/dbraw/zinc/93/01/03/622930103.db2.gz HPEGXTDNIAGFBG-UHFFFAOYSA-N 0 0 316.401 3.100 20 10 DGCDRN C[C@H](NC(=O)COC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000773009805 622965957 /nfs/dbraw/zinc/96/59/57/622965957.db2.gz REEAIQSVALZBAO-AWEZNQCLSA-N 0 0 304.434 3.279 20 10 DGCDRN COC1(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCCCC1 ZINC000773010276 622966405 /nfs/dbraw/zinc/96/64/05/622966405.db2.gz NUFYRJJALSFZGJ-CQSZACIVSA-N 0 0 304.434 3.279 20 10 DGCDRN Cc1noc(C)c1CCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773013440 622967435 /nfs/dbraw/zinc/96/74/35/622967435.db2.gz YFCPWFKDBOVKMI-LBPRGKRZSA-N 0 0 315.417 3.167 20 10 DGCDRN CCOc1cccnc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773012092 622967495 /nfs/dbraw/zinc/96/74/95/622967495.db2.gz FVFJQESTZCXUHR-ZDUSSCGKSA-N 0 0 313.401 3.037 20 10 DGCDRN Cc1ccccc1OCC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773017487 622967807 /nfs/dbraw/zinc/96/78/07/622967807.db2.gz GSGMXSJMKRTOOO-OAHLLOKOSA-N 0 0 312.413 3.317 20 10 DGCDRN C[C@@H](NC(=O)CCC1CCOCC1)c1ccc(N(C)C)cc1 ZINC000773016377 622968116 /nfs/dbraw/zinc/96/81/16/622968116.db2.gz CIHSQBCOLPAMPN-CQSZACIVSA-N 0 0 304.434 3.137 20 10 DGCDRN C[C@H](NC(=O)Cc1ccc(F)c(F)c1)c1ccc(N(C)C)cc1 ZINC000773018140 622968374 /nfs/dbraw/zinc/96/83/74/622968374.db2.gz HNULCXCZCAMJOR-LBPRGKRZSA-N 0 0 318.367 3.451 20 10 DGCDRN Cc1ccc(CCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000773021109 622968689 /nfs/dbraw/zinc/96/86/89/622968689.db2.gz YFONQNZSHASRRG-AWEZNQCLSA-N 0 0 300.402 3.464 20 10 DGCDRN Cc1cccc(OCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773018671 622968866 /nfs/dbraw/zinc/96/88/66/622968866.db2.gz WPESMYLLXPHPEG-HNNXBMFYSA-N 0 0 312.413 3.317 20 10 DGCDRN Cc1cc(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)o1 ZINC000773084287 622980592 /nfs/dbraw/zinc/98/05/92/622980592.db2.gz NUCMQBFJMVVFBS-LBPRGKRZSA-N 0 0 322.430 3.002 20 10 DGCDRN Cc1cccc(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773089713 622981758 /nfs/dbraw/zinc/98/17/58/622981758.db2.gz UREPQWYQKMDNCG-AWEZNQCLSA-N 0 0 318.442 3.101 20 10 DGCDRN C[C@H](NS(=O)(=O)CCC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000773089141 622982282 /nfs/dbraw/zinc/98/22/82/622982282.db2.gz SBSWLIHXIUVIHT-ZDUSSCGKSA-N 0 0 312.479 3.169 20 10 DGCDRN C[C@H](NCc1ccn(C)n1)c1ccc(N2CCCCC2)c(F)c1 ZINC000773128168 622989115 /nfs/dbraw/zinc/98/91/15/622989115.db2.gz BGBNFLNUVYTRDJ-AWEZNQCLSA-N 0 0 316.424 3.400 20 10 DGCDRN CC(C)OCCCCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773438931 623027095 /nfs/dbraw/zinc/02/70/95/623027095.db2.gz GOAWECFOIBLKNX-HNNXBMFYSA-N 0 0 321.465 3.318 20 10 DGCDRN CCCOc1ccc(CNCc2ncnn2C(C)(C)C)cc1C ZINC000873121079 623040945 /nfs/dbraw/zinc/04/09/45/623040945.db2.gz CHYKXJQKGPEVTF-UHFFFAOYSA-N 0 0 316.449 3.420 20 10 DGCDRN C[C@@H](NC(=O)N1CCC2(CCC2)C1)c1ccc(N(C)C)cc1 ZINC000773614917 623051480 /nfs/dbraw/zinc/05/14/80/623051480.db2.gz UQIRGMFQHHZFES-CQSZACIVSA-N 0 0 301.434 3.399 20 10 DGCDRN CC1(C)CCc2onc(CNCc3ccc4c(c3)CCO4)c2C1 ZINC000873175256 623060763 /nfs/dbraw/zinc/06/07/63/623060763.db2.gz GCZKQIJAPXWWFS-UHFFFAOYSA-N 0 0 312.413 3.414 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc2cnccc21 ZINC000773751696 623067213 /nfs/dbraw/zinc/06/72/13/623067213.db2.gz UGYWLWZMPDDXBT-LBPRGKRZSA-N 0 0 322.364 3.007 20 10 DGCDRN CCN(C)c1ccc(CN2CCC[C@H]2C(=O)OC(C)(C)C)cc1 ZINC000773753311 623067692 /nfs/dbraw/zinc/06/76/92/623067692.db2.gz GBFCWPXENGMVAY-KRWDZBQOSA-N 0 0 318.461 3.449 20 10 DGCDRN COC(=O)c1cccc(CN(C)c2ccc(OC)c(Cl)c2)n1 ZINC000773767122 623070440 /nfs/dbraw/zinc/07/04/40/623070440.db2.gz XAUXAPNODWAWMZ-UHFFFAOYSA-N 0 0 320.776 3.167 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)C1(c2cccnc2)CC1 ZINC000773791923 623073548 /nfs/dbraw/zinc/07/35/48/623073548.db2.gz PXELKLIFVKGCLB-UHFFFAOYSA-N 0 0 321.424 3.030 20 10 DGCDRN COc1ccc(N(C)Cc2ccc(OC(C)=O)cc2)cc1F ZINC000124455859 623095378 /nfs/dbraw/zinc/09/53/78/623095378.db2.gz FZLKTGCSUGNFED-UHFFFAOYSA-N 0 0 303.333 3.396 20 10 DGCDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(N(C)C)cc1 ZINC000773994559 623097330 /nfs/dbraw/zinc/09/73/30/623097330.db2.gz NRGZLXZPKWZIKY-LBPRGKRZSA-N 0 0 313.357 3.152 20 10 DGCDRN Cc1cc(Br)cc(CN2CCOC(C)(C)C2)c1O ZINC000124549403 623157656 /nfs/dbraw/zinc/15/76/56/623157656.db2.gz AXOPTNWQVKZDOY-UHFFFAOYSA-N 0 0 314.223 3.074 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CCC[C@@H]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000774854623 623200527 /nfs/dbraw/zinc/20/05/27/623200527.db2.gz YKHCRQDSZKTVPJ-CQSZACIVSA-N 0 0 320.389 3.464 20 10 DGCDRN C[C@@H]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC000873749717 623210719 /nfs/dbraw/zinc/21/07/19/623210719.db2.gz PFWNWXAMWCEARU-SUNKGSAMSA-N 0 0 302.378 3.404 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C2(Nc3ccccc3)CC2)cc1 ZINC000873828808 623214776 /nfs/dbraw/zinc/21/47/76/623214776.db2.gz HCHOLOCXVDQOFR-UHFFFAOYSA-N 0 0 309.413 3.014 20 10 DGCDRN COc1c([O-])c(C[NH2+]C2C[C@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000775028247 623218480 /nfs/dbraw/zinc/21/84/80/623218480.db2.gz OPZYWSMLCIWXSH-GHMZBOCLSA-N 0 0 308.378 3.223 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000775059030 623223813 /nfs/dbraw/zinc/22/38/13/623223813.db2.gz HIUFGHFKWORFNK-DMDPSCGWSA-N 0 0 308.378 3.223 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)c2cc(Cl)no2)C2CC2)cc1 ZINC000873967414 623225140 /nfs/dbraw/zinc/22/51/40/623225140.db2.gz FAEFGUVPFADMNV-UHFFFAOYSA-N 0 0 319.792 3.199 20 10 DGCDRN COc1c(O)c(CN2CCc3c2cccc3F)ccc1[N+](=O)[O-] ZINC000775070139 623226703 /nfs/dbraw/zinc/22/67/03/623226703.db2.gz WQYSPYKMTODQKA-UHFFFAOYSA-N 0 0 318.304 3.011 20 10 DGCDRN CC(C)n1cc(C[NH2+]Cc2cccc(Br)c2[O-])cn1 ZINC000775151416 623235874 /nfs/dbraw/zinc/23/58/74/623235874.db2.gz FTATVKWJFFDSAL-UHFFFAOYSA-N 0 0 324.222 3.222 20 10 DGCDRN CCNC(=O)c1ccc(NCc2ccc(OCC)cc2O)cc1 ZINC000775181297 623238291 /nfs/dbraw/zinc/23/82/91/623238291.db2.gz RRIJMTFFQFYABV-UHFFFAOYSA-N 0 0 314.385 3.153 20 10 DGCDRN C[C@@H](NC(=O)CCc1ccc(O)cc1)c1ccc(N(C)C)cc1 ZINC000775403931 623269592 /nfs/dbraw/zinc/26/95/92/623269592.db2.gz KLVXPCPVUZCQEY-CQSZACIVSA-N 0 0 312.413 3.268 20 10 DGCDRN C[C@H](NC(=O)c1ccc2n[nH]cc2c1)c1ccc(N(C)C)cc1 ZINC000775402099 623269672 /nfs/dbraw/zinc/26/96/72/623269672.db2.gz BAJKGYQJVQMWBS-LBPRGKRZSA-N 0 0 308.385 3.120 20 10 DGCDRN Cc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000775402138 623269833 /nfs/dbraw/zinc/26/98/33/623269833.db2.gz BNRUUKQNGDMRON-CUXKMMBLSA-N 0 0 309.413 3.347 20 10 DGCDRN Cc1nc(C2CC2)oc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775406735 623270305 /nfs/dbraw/zinc/27/03/05/623270305.db2.gz ZRPGWWULEKJJGS-NSHDSACASA-N 0 0 313.401 3.417 20 10 DGCDRN CSCC[C@H](C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000125023945 623274979 /nfs/dbraw/zinc/27/49/79/623274979.db2.gz XTJSYTTXSFQAOU-VIFPVBQESA-N 0 0 304.253 3.386 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC[C@@H]1OC ZINC000775457009 623276685 /nfs/dbraw/zinc/27/66/85/623276685.db2.gz FCZSKSBSFLXJCT-YOEHRIQHSA-N 0 0 320.433 3.129 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC[C@H]1OC ZINC000775457008 623276818 /nfs/dbraw/zinc/27/68/18/623276818.db2.gz FCZSKSBSFLXJCT-WMLDXEAASA-N 0 0 320.433 3.129 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000775658739 623306225 /nfs/dbraw/zinc/30/62/25/623306225.db2.gz PUDSANLZFJWXAU-JTQLQIEISA-N 0 0 309.772 3.287 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@H+]1CCc2ccc(O)cc2CC1 ZINC000775666380 623310080 /nfs/dbraw/zinc/31/00/80/623310080.db2.gz XENPABRJKHGLTB-UHFFFAOYSA-N 0 0 303.789 3.352 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccn(C(F)F)n1 ZINC000775676191 623312678 /nfs/dbraw/zinc/31/26/78/623312678.db2.gz OGRDSCRNKXHEPW-UHFFFAOYSA-N 0 0 322.359 3.007 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000775740312 623322253 /nfs/dbraw/zinc/32/22/53/623322253.db2.gz UOZUCRCNKUMEIE-NEPJUHHUSA-N 0 0 313.800 3.433 20 10 DGCDRN COc1ccc(S[C@H](C)C(=O)Nc2ccc(N)cc2)cc1 ZINC000020566767 623330231 /nfs/dbraw/zinc/33/02/31/623330231.db2.gz FPYHAWMXSGJJDM-LLVKDONJSA-N 0 0 302.399 3.397 20 10 DGCDRN CCO[C@@H](C)c1noc(CN[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775832776 623338690 /nfs/dbraw/zinc/33/86/90/623338690.db2.gz BOZMGXXTDFMTIV-STQMWFEESA-N 0 0 318.421 3.084 20 10 DGCDRN C[C@H](NCC(=O)OCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000775833798 623339236 /nfs/dbraw/zinc/33/92/36/623339236.db2.gz MQQCKUJHWWTIAB-HNNXBMFYSA-N 0 0 312.413 3.147 20 10 DGCDRN COc1ncc(/C=C\C(=O)N(CC2CCC2)c2ccccc2)cn1 ZINC000775869018 623343954 /nfs/dbraw/zinc/34/39/54/623343954.db2.gz GJEAYIMWFVTGPZ-KHPPLWFESA-N 0 0 323.396 3.332 20 10 DGCDRN COc1cc(C)c(NC(=O)NCc2ccccc2O)cc1F ZINC000775896746 623347894 /nfs/dbraw/zinc/34/78/94/623347894.db2.gz AVKGESLDDBFJGF-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN C[C@](O)(C[NH2+]Cc1cc(Cl)cc(F)c1[O-])c1cccs1 ZINC000776209107 623397235 /nfs/dbraw/zinc/39/72/35/623397235.db2.gz MUEXRBHRVFHABB-AWEZNQCLSA-N 0 0 315.797 3.244 20 10 DGCDRN CC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])C1CCOCC1 ZINC000776231906 623400294 /nfs/dbraw/zinc/40/02/94/623400294.db2.gz KPAQICLTCKFCBY-AWEZNQCLSA-N 0 0 301.789 3.480 20 10 DGCDRN CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)C1=CC(=O)CS1 ZINC000776251058 623401705 /nfs/dbraw/zinc/40/17/05/623401705.db2.gz OZZMDRGUCGGESY-YMTOWFKASA-N 0 0 309.362 3.099 20 10 DGCDRN O=C1CCCN1c1ccc(NCc2cccc(Cl)c2O)nc1 ZINC000776252569 623401838 /nfs/dbraw/zinc/40/18/38/623401838.db2.gz GSAHHOMCWFSVIH-UHFFFAOYSA-N 0 0 317.776 3.180 20 10 DGCDRN O=C(OCc1cc(-c2ccccc2)on1)c1cccc(O)c1O ZINC000776280578 623407003 /nfs/dbraw/zinc/40/70/03/623407003.db2.gz UPLLZGMOVZNTCO-UHFFFAOYSA-N 0 0 311.293 3.110 20 10 DGCDRN O=C(NCCCOC1CCCCC1)N1Cc2cccc(O)c2C1 ZINC000875021294 623408313 /nfs/dbraw/zinc/40/83/13/623408313.db2.gz BEZRBVZVEAEHKE-UHFFFAOYSA-N 0 0 318.417 3.157 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)[C@H]3CC[C@H](C)C3)CC2)cc1 ZINC000776318198 623411563 /nfs/dbraw/zinc/41/15/63/623411563.db2.gz ZQIHELBTGGULPK-GJZGRUSLSA-N 0 0 316.445 3.216 20 10 DGCDRN O=C(Cc1ccoc1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000776328105 623412315 /nfs/dbraw/zinc/41/23/15/623412315.db2.gz YNYGUMZVUMVASL-UHFFFAOYSA-N 0 0 318.336 3.171 20 10 DGCDRN O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)c1cccc(O)c1O ZINC000776351191 623416118 /nfs/dbraw/zinc/41/61/18/623416118.db2.gz UXLHSLSCYJCCSA-GOEBONIOSA-N 0 0 311.381 3.239 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1OC2CCC1CC2 ZINC000875099556 623416512 /nfs/dbraw/zinc/41/65/12/623416512.db2.gz TWKWMBJUICFSRQ-UHFFFAOYSA-N 0 0 315.417 3.055 20 10 DGCDRN C[C@@H](COc1ccccc1)NC(=O)N[C@@H](C)c1ccccc1O ZINC000875125518 623418727 /nfs/dbraw/zinc/41/87/27/623418727.db2.gz PJRYFJDQAHSUIB-KBPBESRZSA-N 0 0 314.385 3.220 20 10 DGCDRN Cc1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)n1C ZINC000125316741 623422955 /nfs/dbraw/zinc/42/29/55/623422955.db2.gz OOOILLVDDAAQFS-UHFFFAOYSA-N 0 0 324.380 3.475 20 10 DGCDRN C[C@@H](O)c1ccc(CNC(=O)N[C@H](C)c2ccccc2O)cc1 ZINC000875187700 623425724 /nfs/dbraw/zinc/42/57/24/623425724.db2.gz OPBMZJWBJIVMJA-CHWSQXEVSA-N 0 0 314.385 3.006 20 10 DGCDRN O=C(N[C@H]1CCc2ccc(F)cc21)N1Cc2cccc(O)c2C1 ZINC000875250068 623430947 /nfs/dbraw/zinc/43/09/47/623430947.db2.gz IEQIZQNPXBPGBD-INIZCTEOSA-N 0 0 312.344 3.244 20 10 DGCDRN O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1)C1=CC(=O)CS1 ZINC000776495372 623435526 /nfs/dbraw/zinc/43/55/26/623435526.db2.gz ZDXQMMVNRCSPER-NSHDSACASA-N 0 0 322.817 3.116 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1CCc2c1cccc2O)c1ccccc1O ZINC000875314167 623436810 /nfs/dbraw/zinc/43/68/10/623436810.db2.gz IYJSHOXRVKNHCE-NHYWBVRUSA-N 0 0 312.369 3.146 20 10 DGCDRN O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)N1Cc2cccc(O)c2C1 ZINC000875315454 623436830 /nfs/dbraw/zinc/43/68/30/623436830.db2.gz UBTNALRASDOZDJ-KCQAQPDRSA-N 0 0 300.402 3.386 20 10 DGCDRN COc1cccc2c1CC[C@@H]2NC(=O)N1Cc2cccc(O)c2C1 ZINC000875379523 623443830 /nfs/dbraw/zinc/44/38/30/623443830.db2.gz QAFVDXLWGWFMPZ-INIZCTEOSA-N 0 0 324.380 3.114 20 10 DGCDRN O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)N1Cc2cccc(O)c2C1 ZINC000875401949 623446555 /nfs/dbraw/zinc/44/65/55/623446555.db2.gz LLEDPMJKJPRBOH-KFKAGJAMSA-N 0 0 320.392 3.146 20 10 DGCDRN CC(C)C[C@H]1C[C@@H](NC(=O)N2Cc3cccc(O)c3C2)CCO1 ZINC000875462669 623452942 /nfs/dbraw/zinc/45/29/42/623452942.db2.gz XNCIZYLMVZZZCB-GJZGRUSLSA-N 0 0 318.417 3.011 20 10 DGCDRN O=S(=O)(/C=C\c1ccccc1Cl)Nc1ccc(O)cc1 ZINC000776744160 623458151 /nfs/dbraw/zinc/45/81/51/623458151.db2.gz FKUDKQDTEQDTFK-KTKRTIGZSA-N 0 0 309.774 3.458 20 10 DGCDRN CCOc1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2)cc1C ZINC000776748022 623459160 /nfs/dbraw/zinc/45/91/60/623459160.db2.gz RSQOGPCLWQJFEU-UHFFFAOYSA-N 0 0 321.398 3.209 20 10 DGCDRN Cc1cc(NS(=O)(=O)c2cccc3c2CCCC3)ccc1O ZINC000776748074 623459169 /nfs/dbraw/zinc/45/91/69/623459169.db2.gz VQBPAMIOMAUQMK-UHFFFAOYSA-N 0 0 317.410 3.380 20 10 DGCDRN O=C(NC[C@@H]1CCC[C@H]1C1CC1)N1Cc2cccc(O)c2C1 ZINC000875666092 623476945 /nfs/dbraw/zinc/47/69/45/623476945.db2.gz VJCKAHDVDLDGQF-ZFWWWQNUSA-N 0 0 300.402 3.244 20 10 DGCDRN CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](OC)C(F)(F)F)cc1 ZINC000777007442 623484774 /nfs/dbraw/zinc/48/47/74/623484774.db2.gz MMMQDERJPJWJEO-FZMZJTMJSA-N 0 0 304.356 3.371 20 10 DGCDRN CCN(CC)c1ccc(CN2CCO[C@H](C3CC3)C2)cc1F ZINC000777223546 623507326 /nfs/dbraw/zinc/50/73/26/623507326.db2.gz ZEZVAZVDEJAHRZ-SFHVURJKSA-N 0 0 306.425 3.283 20 10 DGCDRN Cc1cc(C)nc(NC(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000125692640 623520867 /nfs/dbraw/zinc/52/08/67/623520867.db2.gz USFQUKATRNKWDA-UHFFFAOYSA-N 0 0 316.380 3.225 20 10 DGCDRN O=[N+]([O-])c1cc(CNc2nncs2)ccc1N1CCCCC1 ZINC000777505367 623532918 /nfs/dbraw/zinc/53/29/18/623532918.db2.gz BDUNRRJDFIQRRH-UHFFFAOYSA-N 0 0 319.390 3.049 20 10 DGCDRN COc1cc(N(C)CCc2ccccc2)cc(OC)c1OC ZINC000125756916 623540432 /nfs/dbraw/zinc/54/04/32/623540432.db2.gz XCRBIFGLAQZIHZ-UHFFFAOYSA-N 0 0 301.386 3.391 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000790504577 625661963 /nfs/dbraw/zinc/66/19/63/625661963.db2.gz LRYXQJMRJZDZKX-CQSZACIVSA-N 0 0 301.317 3.214 20 10 DGCDRN COc1cccc(CNc2cccc3c2OCC[C@H]3OC)c1O ZINC000790485703 625660530 /nfs/dbraw/zinc/66/05/30/625660530.db2.gz JBTXGXPIYRYFAU-OAHLLOKOSA-N 0 0 315.369 3.483 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCC=CO1 ZINC000777848048 623575606 /nfs/dbraw/zinc/57/56/06/623575606.db2.gz UHUCRJCMHCPDAE-GOSISDBHSA-N 0 0 314.429 3.328 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1N(C)CCCC1(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000790497203 625661018 /nfs/dbraw/zinc/66/10/18/625661018.db2.gz LTWBPAAHHLAYCF-WBMJQRKESA-N 0 0 321.421 3.071 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H](F)Cc1ccccc1 ZINC000777981602 623595282 /nfs/dbraw/zinc/59/52/82/623595282.db2.gz NXMUNQYRXNQYTA-GOSISDBHSA-N 0 0 314.404 3.258 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000790504575 625662476 /nfs/dbraw/zinc/66/24/76/625662476.db2.gz LRYXQJMRJZDZKX-AWEZNQCLSA-N 0 0 301.317 3.214 20 10 DGCDRN Cc1cc(C(=O)Nc2ccc(N)cc2)c(C)n1[C@H]1CCCOC1 ZINC000876503759 623629384 /nfs/dbraw/zinc/62/93/84/623629384.db2.gz FATVWBSSRLKUJB-INIZCTEOSA-N 0 0 313.401 3.291 20 10 DGCDRN Cc1cncc(/C=C\C(=O)N2CCN(C3CC3)c3ccccc32)c1 ZINC000778258070 623633073 /nfs/dbraw/zinc/63/30/73/623633073.db2.gz FXLYYSHKBOIOJM-TWGQIWQCSA-N 0 0 319.408 3.419 20 10 DGCDRN COc1ccc(C[N@H+](C)Cc2ccc(F)c(F)c2[O-])c(OC)c1 ZINC000876535870 623637360 /nfs/dbraw/zinc/63/73/60/623637360.db2.gz RVPYVGPPHUZBDY-UHFFFAOYSA-N 0 0 323.339 3.320 20 10 DGCDRN CC[C@](C)(CCO)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000778433217 623657562 /nfs/dbraw/zinc/65/75/62/623657562.db2.gz JJYBXYWZSGXPAC-LJQANCHMSA-N 0 0 314.429 3.375 20 10 DGCDRN Cc1ccc(CN2CCO[C@H](c3ccccc3F)C2)c(O)c1 ZINC000876682785 623681525 /nfs/dbraw/zinc/68/15/25/623681525.db2.gz OGYGLXSVHMBTCB-SFHVURJKSA-N 0 0 301.361 3.413 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc(Cl)cc2F)c(O)c1O ZINC000779117418 623731677 /nfs/dbraw/zinc/73/16/77/623731677.db2.gz UWTIVQBRFVURTH-UHFFFAOYSA-N 0 0 309.724 3.129 20 10 DGCDRN CC(C)Oc1ncccc1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000876873854 623733357 /nfs/dbraw/zinc/73/33/57/623733357.db2.gz SHXIFECDFCRHDS-UHFFFAOYSA-N 0 0 308.328 3.142 20 10 DGCDRN Cc1cccc2c1C[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)N2 ZINC000876872945 623733601 /nfs/dbraw/zinc/73/36/01/623733601.db2.gz QZFSNWUIBJFGBY-LJQANCHMSA-N 0 0 323.440 3.056 20 10 DGCDRN C[C@H]1CCN(Cc2cc(Br)ccc2O)C[C@H]1F ZINC000779148221 623735230 /nfs/dbraw/zinc/73/52/30/623735230.db2.gz GYBCNLOWEXVILV-JOYOIKCWSA-N 0 0 302.187 3.335 20 10 DGCDRN CN1CCCc2cc(C[NH2+]Cc3ccc(F)c(F)c3[O-])ccc21 ZINC000876987400 623760250 /nfs/dbraw/zinc/76/02/50/623760250.db2.gz YSDJXAFVODUJGU-UHFFFAOYSA-N 0 0 318.367 3.343 20 10 DGCDRN COc1ccc(CC[NH2+]Cc2ccc(F)c(F)c2[O-])c(OC)c1 ZINC000876988420 623760563 /nfs/dbraw/zinc/76/05/63/623760563.db2.gz FVDYWIBHANYPIA-UHFFFAOYSA-N 0 0 323.339 3.020 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc2cc[nH]c2n1 ZINC000779381686 623764834 /nfs/dbraw/zinc/76/48/34/623764834.db2.gz OOTMEMCKFSRFRN-UHFFFAOYSA-N 0 0 309.369 3.321 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@H](O)c1ccc(F)cc1 ZINC000877034478 623771068 /nfs/dbraw/zinc/77/10/68/623771068.db2.gz IKQRLCPJCPTYHU-VFZGTOFNSA-N 0 0 311.303 3.021 20 10 DGCDRN Cc1ccc(/C=C/C(=O)N2CCOc3c(Cl)cccc32)cn1 ZINC000779472802 623773373 /nfs/dbraw/zinc/77/33/73/623773373.db2.gz JZBFXCOIOXRIPA-BQYQJAHWSA-N 0 0 314.772 3.482 20 10 DGCDRN C[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)Cc2ccccc21 ZINC000779489573 623774117 /nfs/dbraw/zinc/77/41/17/623774117.db2.gz QPXUCLZRJJFPTD-XOVSCCBYSA-N 0 0 309.365 3.257 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCc1c(F)cccc1Cl ZINC000779500067 623775066 /nfs/dbraw/zinc/77/50/66/623775066.db2.gz PGVSNRZRUGHFKD-FNORWQNLSA-N 0 0 321.735 3.220 20 10 DGCDRN C[C@@H]1C[C@@H]1c1ccc(CNC(=O)/C=C\c2ccc(O)c(O)c2)o1 ZINC000779500351 623775109 /nfs/dbraw/zinc/77/51/09/623775109.db2.gz PAFGNXBVDBALKZ-UMCUBORVSA-N 0 0 313.353 3.144 20 10 DGCDRN CC(C)c1csc(NC(=O)/C=C/c2ccc(O)c(O)c2)n1 ZINC000779499305 623775180 /nfs/dbraw/zinc/77/51/80/623775180.db2.gz NVFQTWNKFDKSHV-GQCTYLIASA-N 0 0 304.371 3.330 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccc3cc[nH]c3n2)cc1 ZINC000779501201 623775241 /nfs/dbraw/zinc/77/52/41/623775241.db2.gz RSKIRAPQFQWDOZ-UHFFFAOYSA-N 0 0 322.412 3.339 20 10 DGCDRN CC(C)[C@@H]1CCC[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000779511795 623776053 /nfs/dbraw/zinc/77/60/53/623776053.db2.gz LHHPXHNPPCAYBI-MJYKILKPSA-N 0 0 303.402 3.442 20 10 DGCDRN CC(C)(NC(=O)/C=C\c1ccc(O)c(O)c1)c1cccs1 ZINC000779517842 623776586 /nfs/dbraw/zinc/77/65/86/623776586.db2.gz GJLPTTDTTSFBJB-VURMDHGXSA-N 0 0 303.383 3.224 20 10 DGCDRN C[C@@H]1CCCC[C@H]1CCNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779519420 623776804 /nfs/dbraw/zinc/77/68/04/623776804.db2.gz DCLNWKUXFWMKBP-NQSJFCTJSA-N 0 0 303.402 3.444 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCc1coc2ccccc12 ZINC000779521257 623776813 /nfs/dbraw/zinc/77/68/13/623776813.db2.gz LSMWUGCWRGQQOO-VURMDHGXSA-N 0 0 309.321 3.174 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CSc2ccccc21 ZINC000779517441 623776825 /nfs/dbraw/zinc/77/68/25/623776825.db2.gz BDNWEWGZKDKFAN-CFNZNRNTSA-N 0 0 313.378 3.074 20 10 DGCDRN [O-]c1c(C[NH2+]CCCSc2nccs2)ccc(F)c1F ZINC000877061250 623779399 /nfs/dbraw/zinc/77/93/99/623779399.db2.gz BRSCEAVDWRIFJN-UHFFFAOYSA-N 0 0 316.398 3.399 20 10 DGCDRN CC(C)Cn1ncc(C(=O)N(C)c2ccc(N)cc2)c1C1CC1 ZINC000877076958 623786059 /nfs/dbraw/zinc/78/60/59/623786059.db2.gz YHVUZDSGRSDQQT-UHFFFAOYSA-N 0 0 312.417 3.275 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C=C\c1cncc(O)c1)CCCC2 ZINC000779671285 623786187 /nfs/dbraw/zinc/78/61/87/623786187.db2.gz XUVJUWQRMWTXTJ-YVMONPNESA-N 0 0 324.380 3.179 20 10 DGCDRN Fc1ccc2[nH]c(-c3ccc(N4CCOCC4)cc3)nc2c1F ZINC000779708208 623788491 /nfs/dbraw/zinc/78/84/91/623788491.db2.gz XMUCSEGRFFOTLK-UHFFFAOYSA-N 0 0 315.323 3.345 20 10 DGCDRN Cc1ccc([N+](=O)[O-])c(NCc2ccc(N(C)C)cc2C)n1 ZINC000126338576 623791892 /nfs/dbraw/zinc/79/18/92/623791892.db2.gz RJTDXGXXMLAHJY-UHFFFAOYSA-N 0 0 300.362 3.285 20 10 DGCDRN C[C@@H](C[C@@H](O)c1cccs1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877127768 623797944 /nfs/dbraw/zinc/79/79/44/623797944.db2.gz ATRYZKNHHGHWQO-JOYOIKCWSA-N 0 0 313.369 3.334 20 10 DGCDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C1=CCC1 ZINC000779851046 623820935 /nfs/dbraw/zinc/82/09/35/623820935.db2.gz PHNYWNVZGAEUFF-UHFFFAOYSA-N 0 0 303.317 3.121 20 10 DGCDRN CC[C@H](C)[C@H](C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000779875582 623825164 /nfs/dbraw/zinc/82/51/64/623825164.db2.gz ZZSMBTIWHMUNDI-HRCADAONSA-N 0 0 318.461 3.383 20 10 DGCDRN O=C(NCC1(c2ccc(F)cc2)CCC1)c1cccc(O)c1O ZINC000790618798 625679025 /nfs/dbraw/zinc/67/90/25/625679025.db2.gz WHMPCVKGLYRFEA-UHFFFAOYSA-N 0 0 315.344 3.089 20 10 DGCDRN CCOc1ccc(CNc2ccc3ccn(C)c(=O)c3c2)c(O)c1 ZINC000790637695 625681067 /nfs/dbraw/zinc/68/10/67/625681067.db2.gz LWJPDCANMBMVRJ-UHFFFAOYSA-N 0 0 324.380 3.255 20 10 DGCDRN COc1cc2c(cc1NCc1ccc(C)cc1O)NC(=O)CC2 ZINC000877383166 623864228 /nfs/dbraw/zinc/86/42/28/623864228.db2.gz WRYRRTBSFOAJND-UHFFFAOYSA-N 0 0 312.369 3.206 20 10 DGCDRN Cc1ccc(CNCc2cc(COC(C)(C)C)on2)c(O)c1 ZINC000877425016 623876834 /nfs/dbraw/zinc/87/68/34/623876834.db2.gz WSUBXNLSFRZIJU-UHFFFAOYSA-N 0 0 304.390 3.294 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ncc(C)cc1C ZINC000780327701 623911284 /nfs/dbraw/zinc/91/12/84/623911284.db2.gz LDJKMIUSCHJFNX-UHFFFAOYSA-N 0 0 311.429 3.427 20 10 DGCDRN Cc1cccc(O)c1C[N@@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000877503965 623915268 /nfs/dbraw/zinc/91/52/68/623915268.db2.gz YRGBUFDBVPOLHO-FQEVSTJZSA-N 0 0 311.425 3.227 20 10 DGCDRN CSc1ccccc1S(=O)(=O)Nc1ccc(O)cc1C ZINC000780389761 623921324 /nfs/dbraw/zinc/92/13/24/623921324.db2.gz UAWNTFGFKAXZLC-UHFFFAOYSA-N 0 0 309.412 3.223 20 10 DGCDRN CC(C)n1ncnc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000877530612 623927999 /nfs/dbraw/zinc/92/79/99/623927999.db2.gz WEXRTVIJFWIHEO-UHFFFAOYSA-N 0 0 315.204 3.161 20 10 DGCDRN CC(=O)N1CCCN(Cc2ccc(C)cc2O)c2ccccc21 ZINC000877535419 623930503 /nfs/dbraw/zinc/93/05/03/623930503.db2.gz MPENCQJKWPMITL-UHFFFAOYSA-N 0 0 310.397 3.464 20 10 DGCDRN Cc1ccc(C[NH+]2CCC(OCCOC(C)C)CC2)c(O)c1 ZINC000877574972 623948401 /nfs/dbraw/zinc/94/84/01/623948401.db2.gz AXTVNMXNPZPIJU-UHFFFAOYSA-N 0 0 307.434 3.107 20 10 DGCDRN [O-]c1c(C[NH2+][C@H](CCO)c2ccccc2F)ccc(F)c1F ZINC000877606490 623960378 /nfs/dbraw/zinc/96/03/78/623960378.db2.gz CMLOYXLOQRZCQH-CQSZACIVSA-N 0 0 311.303 3.023 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1ccc(-n2cncn2)cc1 ZINC000780767754 623981442 /nfs/dbraw/zinc/98/14/42/623981442.db2.gz WSMGWHAUJMIXLV-UHFFFAOYSA-N 0 0 320.396 3.229 20 10 DGCDRN CCN(CC)c1ccc(CNCc2nnc(C)s2)cc1F ZINC000780793162 623985751 /nfs/dbraw/zinc/98/57/51/623985751.db2.gz KPONYAWNRLPECF-UHFFFAOYSA-N 0 0 308.426 3.122 20 10 DGCDRN CC[C@@](NCc1cccc(C)c1O)(C(=O)OC)c1ccccc1 ZINC000877676505 623987841 /nfs/dbraw/zinc/98/78/41/623987841.db2.gz WZIAJMXGKTWIPR-IBGZPJMESA-N 0 0 313.397 3.269 20 10 DGCDRN COC(=O)[C@@](C)(NCc1cc(C)ccc1O)c1ccc(F)cc1 ZINC000877676154 623988217 /nfs/dbraw/zinc/98/82/17/623988217.db2.gz RPNDDKGEHKOGGB-SFHVURJKSA-N 0 0 317.360 3.018 20 10 DGCDRN Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)c1O ZINC000877681438 623988998 /nfs/dbraw/zinc/98/89/98/623988998.db2.gz GSUCWMMJAZIOPK-OPQQBVKSSA-N 0 0 314.223 3.119 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)c(O)c1O ZINC000780904094 623996392 /nfs/dbraw/zinc/99/63/92/623996392.db2.gz YADITMJOZXWMPZ-ZWNOBZJWSA-N 0 0 301.342 3.053 20 10 DGCDRN COc1ccc(CN2Cc3cccc(O)c3C2)cc1OC1CC1 ZINC000877703280 623998854 /nfs/dbraw/zinc/99/88/54/623998854.db2.gz ZVLJEQLDVWDNLX-UHFFFAOYSA-N 0 0 311.381 3.458 20 10 DGCDRN Cc1ccc(C(=O)N2C[C@@H]3CCCN3c3ccccc32)c(O)c1O ZINC000780937854 624000878 /nfs/dbraw/zinc/00/08/78/624000878.db2.gz GVFUICNCQPJNKW-ZDUSSCGKSA-N 0 0 324.380 3.035 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccc3c(c2)CC(C)(C)O3)c(O)c1O ZINC000780970728 624005653 /nfs/dbraw/zinc/00/56/53/624005653.db2.gz XTACHHPYTIRMEW-UHFFFAOYSA-N 0 0 313.353 3.372 20 10 DGCDRN COc1ccc([C@H]2CN(Cc3cc(F)ccc3O)CCO2)cc1 ZINC000877757239 624022696 /nfs/dbraw/zinc/02/26/96/624022696.db2.gz GQCWDNXVRGMVBP-GOSISDBHSA-N 0 0 317.360 3.113 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)C3=CCCCC3)CC2)cc1 ZINC000126727330 624049986 /nfs/dbraw/zinc/04/99/86/624049986.db2.gz ZLVLJLSYRRJTPI-UHFFFAOYSA-N 0 0 314.429 3.234 20 10 DGCDRN Cc1noc(C2CC2)c1C(=O)NCc1ccc(N(C)C)cc1C ZINC000129567062 625694925 /nfs/dbraw/zinc/69/49/25/625694925.db2.gz JIRZKTCWXRTMAI-UHFFFAOYSA-N 0 0 313.401 3.165 20 10 DGCDRN Cc1cc(O)c([C@@H]2NC(=O)c3ccccc3N2C)cc1Cl ZINC000877842529 624065781 /nfs/dbraw/zinc/06/57/81/624065781.db2.gz ICMDFGALOVNOQJ-OAHLLOKOSA-N 0 0 302.761 3.232 20 10 DGCDRN CN(C)c1ccc([C@@H]2NC(C)(C)C(=O)N2c2ccccc2)cc1 ZINC000877857666 624071517 /nfs/dbraw/zinc/07/15/17/624071517.db2.gz XBGLTMVTPQVAGA-QGZVFWFLSA-N 0 0 309.413 3.166 20 10 DGCDRN CCCN(CCC)c1ccc([C@@H]2NC(=O)CN2CCC)cc1 ZINC000877857552 624071552 /nfs/dbraw/zinc/07/15/52/624071552.db2.gz ULKKMHYHWFDRIQ-GOSISDBHSA-N 0 0 303.450 3.153 20 10 DGCDRN CN(C)c1ccc([C@H]2NC(C)(C)C(=O)N2CC2CCCC2)cc1 ZINC000877857688 624071576 /nfs/dbraw/zinc/07/15/76/624071576.db2.gz XOBUIDFEESIWIZ-KRWDZBQOSA-N 0 0 315.461 3.152 20 10 DGCDRN COc1ccc(N2CCN(C(=O)[C@@H]3CCC(C)(C)C3)CC2)cc1 ZINC000781559590 624093304 /nfs/dbraw/zinc/09/33/04/624093304.db2.gz NYXYZJKHAKYBJK-OAHLLOKOSA-N 0 0 316.445 3.170 20 10 DGCDRN C[C@@H]1CC[C@@]2(CCN(C(=O)NCc3ccc(N(C)C)cc3)C2)C1 ZINC000781610060 624104024 /nfs/dbraw/zinc/10/40/24/624104024.db2.gz QYJSXZALQUSLOG-DNVCBOLYSA-N 0 0 315.461 3.474 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+]CCc2ccco2)c1 ZINC000781624608 624108992 /nfs/dbraw/zinc/10/89/92/624108992.db2.gz LCURGKCZLFPLLS-UHFFFAOYSA-N 0 0 310.191 3.388 20 10 DGCDRN COc1ccc(N(C)Cc2nc3c(o2)CCCC3)cc1OC ZINC000877995935 624130272 /nfs/dbraw/zinc/13/02/72/624130272.db2.gz LYZVTAZISGDSDY-UHFFFAOYSA-N 0 0 302.374 3.207 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C(F)F)n[nH]1 ZINC000878008398 624133579 /nfs/dbraw/zinc/13/35/79/624133579.db2.gz HDCBBHKTAYRHQU-UHFFFAOYSA-N 0 0 322.359 3.076 20 10 DGCDRN Cc1cc(Br)c(O)c(CN2C[C@H](C)OC[C@H]2C)c1 ZINC000781896037 624166749 /nfs/dbraw/zinc/16/67/49/624166749.db2.gz GMJHFZOKHPYCSJ-MNOVXSKESA-N 0 0 314.223 3.072 20 10 DGCDRN COC(=O)c1ccc(CN(C)c2ccc(OC)c(Cl)c2)[nH]1 ZINC000781920514 624171715 /nfs/dbraw/zinc/17/17/15/624171715.db2.gz MTICCSVGHAOXQH-UHFFFAOYSA-N 0 0 308.765 3.100 20 10 DGCDRN CCN(C)C(=O)CN(C)c1ccc(OCc2ccccc2)cc1 ZINC000781963139 624180357 /nfs/dbraw/zinc/18/03/57/624180357.db2.gz IAODZLFDFLAZTQ-UHFFFAOYSA-N 0 0 312.413 3.180 20 10 DGCDRN CCCN(Cc1ccccc1O)[C@H](C)c1nc(C(=O)OC)co1 ZINC000878150297 624190474 /nfs/dbraw/zinc/19/04/74/624190474.db2.gz CPPWYANYWGFHNZ-GFCCVEGCSA-N 0 0 318.373 3.140 20 10 DGCDRN COCc1cc(NCc2ccc(N3CCCCC3)cc2)ncn1 ZINC000782136981 624208802 /nfs/dbraw/zinc/20/88/02/624208802.db2.gz YUPWUNUHKAJERQ-UHFFFAOYSA-N 0 0 312.417 3.225 20 10 DGCDRN CC(C)=C[C@H]1[C@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)C1(C)C ZINC000782220940 624223314 /nfs/dbraw/zinc/22/33/14/624223314.db2.gz LGZUKMNFQSEEGM-BLLLJJGKSA-N 0 0 318.369 3.062 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cnc(C3CC3)o2)cc1 ZINC000878300397 624239755 /nfs/dbraw/zinc/23/97/55/624239755.db2.gz JDADMXJOJIXOBD-UHFFFAOYSA-N 0 0 313.401 3.328 20 10 DGCDRN O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(O)c1O ZINC000790874330 625710810 /nfs/dbraw/zinc/71/08/10/625710810.db2.gz COXKDKFASWNREZ-NXEZZACHSA-N 0 0 317.307 3.196 20 10 DGCDRN Fc1ccc([C@@H](NCc2ccc3c(c2)CCO3)c2ncc[nH]2)cc1 ZINC000783236868 624328292 /nfs/dbraw/zinc/32/82/92/624328292.db2.gz KGRQGNYTMKFYFQ-GOSISDBHSA-N 0 0 323.371 3.363 20 10 DGCDRN Cc1ccc(C(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])c(O)c1O ZINC000783345054 624338915 /nfs/dbraw/zinc/33/89/15/624338915.db2.gz QCPIIHVXFKNKHH-JTQLQIEISA-N 0 0 317.297 3.232 20 10 DGCDRN Cc1ccc(C(=O)OC[C@@H]2CCC3(CCCC3)O2)c(O)c1O ZINC000783342700 624339075 /nfs/dbraw/zinc/33/90/75/624339075.db2.gz DAHNBBLYRJJTPI-LBPRGKRZSA-N 0 0 306.358 3.055 20 10 DGCDRN O=C(COC(=O)c1cccc(C(F)F)c1)c1ccc(O)c(O)c1 ZINC000783498706 624359334 /nfs/dbraw/zinc/35/93/34/624359334.db2.gz ALCIQYHILWGJKF-UHFFFAOYSA-N 0 0 322.263 3.075 20 10 DGCDRN CCC1=C(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCCO1 ZINC000790913170 625714848 /nfs/dbraw/zinc/71/48/48/625714848.db2.gz LEEULXFLEAFZGC-ZDUSSCGKSA-N 0 0 302.418 3.404 20 10 DGCDRN CC(C)Cn1cc(NC(=O)N[C@H](C)c2ccccc2O)cn1 ZINC000878831912 624368537 /nfs/dbraw/zinc/36/85/37/624368537.db2.gz MUHYTPNUDZYEFD-GFCCVEGCSA-N 0 0 302.378 3.127 20 10 DGCDRN O=C(NCCCSc1nccs1)c1c[nH]cc1C1CC1 ZINC000878834321 624369273 /nfs/dbraw/zinc/36/92/73/624369273.db2.gz ODQMUKDOUCOFNV-UHFFFAOYSA-N 0 0 307.444 3.261 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccnc(C3CC3)c2)c1 ZINC000783589988 624371553 /nfs/dbraw/zinc/37/15/53/624371553.db2.gz RKWAXNLMOLIFPP-LLVKDONJSA-N 0 0 312.369 3.164 20 10 DGCDRN O=C(OCc1cncn1Cc1ccccc1)C1=CC(=O)CS1 ZINC000783607315 624373977 /nfs/dbraw/zinc/37/39/77/624373977.db2.gz GIDGSNPIVQIXGK-UHFFFAOYSA-N 0 0 314.366 3.056 20 10 DGCDRN CC[C@@H](CC1CCCC1)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783673775 624381738 /nfs/dbraw/zinc/38/17/38/624381738.db2.gz NNCAEKGAVZHIBO-ZDUSSCGKSA-N 0 0 320.385 3.430 20 10 DGCDRN CC(C)Oc1c(F)cc(NC(=O)c2cccc(O)c2O)cc1F ZINC000790926239 625716314 /nfs/dbraw/zinc/71/63/14/625716314.db2.gz IQPSVOHXONEUPX-UHFFFAOYSA-N 0 0 323.295 3.416 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)cc1F ZINC000783727815 624388186 /nfs/dbraw/zinc/38/81/86/624388186.db2.gz FOKGCJVENIDUKS-KRWDZBQOSA-N 0 0 308.441 3.265 20 10 DGCDRN COc1cnccc1[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000783743786 624390387 /nfs/dbraw/zinc/39/03/87/624390387.db2.gz JWYVLDVVWIOJCT-VIFPVBQESA-N 0 0 310.756 3.439 20 10 DGCDRN CCCCC[C@@H](C)CC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783904125 624407270 /nfs/dbraw/zinc/40/72/70/624407270.db2.gz UXYIGGCSWDAFJH-GFCCVEGCSA-N 0 0 308.374 3.430 20 10 DGCDRN Cc1nc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000879015790 624408769 /nfs/dbraw/zinc/40/87/69/624408769.db2.gz CTRBBLKCZIKRPK-JTQLQIEISA-N 0 0 304.419 3.400 20 10 DGCDRN CS[C@H](CNC(=O)NCc1ccc(N(C)C)cc1)C(C)(C)C ZINC000783925490 624409370 /nfs/dbraw/zinc/40/93/70/624409370.db2.gz ZBBDBVHPGCWCLL-OAHLLOKOSA-N 0 0 323.506 3.330 20 10 DGCDRN O=C1NC(=S)S/C1=C\c1csc(-c2cccs2)n1 ZINC000209742696 624414514 /nfs/dbraw/zinc/41/45/14/624414514.db2.gz SZBSNVHKJWZSTE-YWEYNIOJSA-N 0 0 310.450 3.360 20 10 DGCDRN COc1ccc(O)c(CNc2cccc3c2OCC[C@@H]3OC)c1 ZINC000790944550 625718662 /nfs/dbraw/zinc/71/86/62/625718662.db2.gz BKBLUXFVEYSNPG-KRWDZBQOSA-N 0 0 315.369 3.483 20 10 DGCDRN Cc1ccncc1/C=C\C(=O)N1C[C@@H](C)Oc2cc(F)ccc21 ZINC000784045945 624427744 /nfs/dbraw/zinc/42/77/44/624427744.db2.gz CQGXDNBTMIWETH-ACVFHECNSA-N 0 0 312.344 3.356 20 10 DGCDRN CCOc1ccc(N(CC[C@@H]2CCOC2=O)CC2CC2)cc1 ZINC000879117223 624431149 /nfs/dbraw/zinc/43/11/49/624431149.db2.gz LWJGXBMGPRHJKZ-OAHLLOKOSA-N 0 0 303.402 3.255 20 10 DGCDRN Cc1cc(NCc2cc([N+](=O)[O-])ccc2[O-])nn1[C@H](C)C1CC1 ZINC000784613175 624557941 /nfs/dbraw/zinc/55/79/41/624557941.db2.gz TWGXKEKHGKMPJO-LLVKDONJSA-N 0 0 316.361 3.388 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@]2(C)CCO[C@@H]2C)c1 ZINC000784640126 624564020 /nfs/dbraw/zinc/56/40/20/624564020.db2.gz LKCZJGMDCLCPGF-YGRLFVJLSA-N 0 0 314.223 3.120 20 10 DGCDRN C[C@H](NC(=O)Nc1cnc(CC2CC2)nc1)c1ccccc1O ZINC000879519576 624576052 /nfs/dbraw/zinc/57/60/52/624576052.db2.gz VWTBQKIAOOUJEN-NSHDSACASA-N 0 0 312.373 3.017 20 10 DGCDRN COc1ccc(N(C)C[C@@H](C)NC(=O)OC(C)(C)C)c(OC)c1 ZINC000785482303 624675027 /nfs/dbraw/zinc/67/50/27/624675027.db2.gz WMTQAVVZMQNJJS-GFCCVEGCSA-N 0 0 324.421 3.053 20 10 DGCDRN COC1CCN(c2ccc(CN3OC4CCC3CC4)cc2)CC1 ZINC000879799028 624681304 /nfs/dbraw/zinc/68/13/04/624681304.db2.gz DTOGHENJAMPPDN-UHFFFAOYSA-N 0 0 316.445 3.360 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Cc1cnc(C)o1 ZINC000879888436 624715855 /nfs/dbraw/zinc/71/58/55/624715855.db2.gz KRVHFFGCUNGPLS-UHFFFAOYSA-N 0 0 302.374 3.060 20 10 DGCDRN CC[C@@H]([NH2+]CC[C@@H](O)COC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806149760 624751687 /nfs/dbraw/zinc/75/16/87/624751687.db2.gz HHJGOHGNMCLDGM-ZWNOBZJWSA-N 0 0 322.232 3.137 20 10 DGCDRN C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000785990113 624775397 /nfs/dbraw/zinc/77/53/97/624775397.db2.gz ZAUGHONHFSDMJY-ISTVAULSSA-N 0 0 301.789 3.166 20 10 DGCDRN C[C@@H](c1cn(-c2ccccc2)nn1)N(C)Cc1ccccc1O ZINC000128445548 624965400 /nfs/dbraw/zinc/96/54/00/624965400.db2.gz CDANLEYHGFHCKR-AWEZNQCLSA-N 0 0 308.385 3.166 20 10 DGCDRN CCc1ccc(C(=O)NCCCSc2nccs2)c(O)c1 ZINC000786972384 624969325 /nfs/dbraw/zinc/96/93/25/624969325.db2.gz BZBPBQWVDIIXOX-UHFFFAOYSA-N 0 0 322.455 3.323 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2[C@@H]3CCC[C@@H]32)cc1F ZINC000787211847 624988421 /nfs/dbraw/zinc/98/84/21/624988421.db2.gz SEOYFPLDAZBZJT-HALDLXJZSA-N 0 0 319.424 3.270 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccnn2CC2CCC2)c1 ZINC000880654886 624994566 /nfs/dbraw/zinc/99/45/66/624994566.db2.gz QJZJVMWEOKRNQN-UHFFFAOYSA-N 0 0 314.389 3.019 20 10 DGCDRN COc1cccc(CNC(=O)Nc2cc(C)cnc2Cl)c1O ZINC000787457796 625012950 /nfs/dbraw/zinc/01/29/50/625012950.db2.gz QZZAPUVIXPIDCU-UHFFFAOYSA-N 0 0 321.764 3.079 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1cccc(Cl)c1F ZINC000128596822 625023850 /nfs/dbraw/zinc/02/38/50/625023850.db2.gz DGFSZODHIDYFFG-UHFFFAOYSA-N 0 0 324.739 3.255 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Nc1ccc2c(n1)CCCC2 ZINC000880952532 625160387 /nfs/dbraw/zinc/16/03/87/625160387.db2.gz RXQNCFXOSKCFFF-UHFFFAOYSA-N 0 0 311.385 3.330 20 10 DGCDRN Cc1ccnc(-c2noc(-c3ccc(-n4cccc4)c(F)c3)n2)n1 ZINC000788478489 625190611 /nfs/dbraw/zinc/19/06/11/625190611.db2.gz IVZIMRCZBJOLDK-UHFFFAOYSA-N 0 0 321.315 3.432 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](CC)C(F)F ZINC000881012654 625202876 /nfs/dbraw/zinc/20/28/76/625202876.db2.gz HRMQKIFCIUOCLR-LBPRGKRZSA-N 0 0 300.349 3.358 20 10 DGCDRN CC(=O)CC(C)(C)CC(=O)NCc1ccc(N(C)C)cc1C ZINC000788511664 625202973 /nfs/dbraw/zinc/20/29/73/625202973.db2.gz DMRSFGXAZYDAHU-UHFFFAOYSA-N 0 0 304.434 3.073 20 10 DGCDRN CCN(C(=O)/C=C/c1cncc(O)c1)c1ccc2[nH]ccc2c1 ZINC000788551848 625215131 /nfs/dbraw/zinc/21/51/31/625215131.db2.gz OMTYTTOQMDNUDU-ZZXKWVIFSA-N 0 0 307.353 3.335 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2ncsc2C2CC2)cc1 ZINC000881039925 625218523 /nfs/dbraw/zinc/21/85/23/625218523.db2.gz ITGAMSQQHZJGHN-UHFFFAOYSA-N 0 0 316.430 3.408 20 10 DGCDRN C[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000788610411 625227013 /nfs/dbraw/zinc/22/70/13/625227013.db2.gz LOLZXCZTHDKOOO-LLVKDONJSA-N 0 0 311.372 3.264 20 10 DGCDRN C=C/C(C)=C\CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000788629820 625231390 /nfs/dbraw/zinc/23/13/90/625231390.db2.gz FNACVZSEUDNJRD-BNCCVWRVSA-N 0 0 314.429 3.004 20 10 DGCDRN C/C=C(/CC)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000788832375 625277121 /nfs/dbraw/zinc/27/71/21/625277121.db2.gz OAODUBMPHHAVKY-SMDZSXGUSA-N 0 0 302.418 3.057 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCOc1ccccc1F ZINC000790946451 625719846 /nfs/dbraw/zinc/71/98/46/625719846.db2.gz BOFIHMYFVOPJDS-UHFFFAOYSA-N 0 0 313.731 3.492 20 10 DGCDRN C[C@@H](CN1CCC[C@H](C)C1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790956133 625721488 /nfs/dbraw/zinc/72/14/88/625721488.db2.gz OHDKYFPGSCJGMT-RYUDHWBXSA-N 0 0 314.832 3.395 20 10 DGCDRN CCN(C(=O)/C=C/c1cncc(C)c1)c1ccccc1C(=O)OC ZINC000129960389 625801209 /nfs/dbraw/zinc/80/12/09/625801209.db2.gz HUPDSPLFOLYUEI-MDZDMXLPSA-N 0 0 324.380 3.243 20 10 DGCDRN CC[C@H](C)n1ncc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1C ZINC000791582962 625829708 /nfs/dbraw/zinc/82/97/08/625829708.db2.gz KOLJSAPDPSUTDK-JYKYSHPRSA-N 0 0 315.373 3.226 20 10 DGCDRN CN(C)[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000882879852 625842390 /nfs/dbraw/zinc/84/23/90/625842390.db2.gz PYFYTAWRMQWJJD-INIZCTEOSA-N 0 0 306.356 3.063 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCCC[C@@H](C2CCOCC2)C1 ZINC000882911191 625856057 /nfs/dbraw/zinc/85/60/57/625856057.db2.gz MZBFYOSCQKGLQJ-CYBMUJFWSA-N 0 0 309.431 3.123 20 10 DGCDRN COc1cccc(C2([NH2+]Cc3cc(F)cc(F)c3[O-])CC2)c1 ZINC000883041069 625907079 /nfs/dbraw/zinc/90/70/79/625907079.db2.gz YVJRVQYYDFVGOE-UHFFFAOYSA-N 0 0 305.324 3.458 20 10 DGCDRN CC(C)[NH+]1CCC(N(C)Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792162094 625917209 /nfs/dbraw/zinc/91/72/09/625917209.db2.gz CIIWLTALFRHQRZ-UHFFFAOYSA-N 0 0 314.832 3.489 20 10 DGCDRN CC[N@@H+]1CC[C@H](N(C)Cc2c([O-])ccc(Cl)c2F)C[C@@H]1C ZINC000792164632 625917519 /nfs/dbraw/zinc/91/75/19/625917519.db2.gz AVSOHJBHSCFREJ-RYUDHWBXSA-N 0 0 314.832 3.489 20 10 DGCDRN CO[C@]1(C)CCCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000792179006 625920942 /nfs/dbraw/zinc/92/09/42/625920942.db2.gz MOCSHFGNVLFLJD-RDTXWAMCSA-N 0 0 319.449 3.024 20 10 DGCDRN CO[C@@H]1Cc2ccc(NCc3cc(F)cc(F)c3O)cc2C1 ZINC000883086618 625922967 /nfs/dbraw/zinc/92/29/67/625922967.db2.gz AJVZYFVASLJTSY-OAHLLOKOSA-N 0 0 305.324 3.396 20 10 DGCDRN CCc1ccc([C@H](O)C[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC000883116844 625932216 /nfs/dbraw/zinc/93/22/16/625932216.db2.gz HTAJBYUIZPEMBT-MRXNPFEDSA-N 0 0 307.340 3.056 20 10 DGCDRN Cc1ccc([C@H](O)[C@@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC000883117723 625932488 /nfs/dbraw/zinc/93/24/88/625932488.db2.gz GPBYCCBEOMMWRZ-BDJLRTHQSA-N 0 0 307.340 3.191 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)c2cccs2)c1 ZINC000131089387 625942335 /nfs/dbraw/zinc/94/23/35/625942335.db2.gz OMZQRMKXJFRMJW-MNOVXSKESA-N 0 0 305.399 3.443 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)c2cccs2)c1 ZINC000131089149 625943086 /nfs/dbraw/zinc/94/30/86/625943086.db2.gz OMZQRMKXJFRMJW-QWRGUYRKSA-N 0 0 305.399 3.443 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)c2ccsc2)c1 ZINC000131084962 625943091 /nfs/dbraw/zinc/94/30/91/625943091.db2.gz CKDPXXBOJTZJHY-WDEREUQCSA-N 0 0 305.399 3.443 20 10 DGCDRN CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883145466 625943194 /nfs/dbraw/zinc/94/31/94/625943194.db2.gz BREHFVCUMLUFSJ-WBVHZDCISA-N 0 0 305.324 3.072 20 10 DGCDRN CC[C@@H](C)n1ncc(NC(=O)NCc2ccccc2O)c1C ZINC000792477467 625949053 /nfs/dbraw/zinc/94/90/53/625949053.db2.gz AXBLFWIZLJYSOI-LLVKDONJSA-N 0 0 302.378 3.190 20 10 DGCDRN CN(C(=O)/C=C/c1ccc(O)c(O)c1)c1ccc2cc[nH]c2c1 ZINC000792579005 625962524 /nfs/dbraw/zinc/96/25/24/625962524.db2.gz SEVVRIFHUBTMJV-XVNBXDOJSA-N 0 0 308.337 3.255 20 10 DGCDRN COc1ccc(CNCc2c(OC)cccc2OC)cc1C ZINC000796283368 626035265 /nfs/dbraw/zinc/03/52/65/626035265.db2.gz KNUJAMLOQHTXNH-UHFFFAOYSA-N 0 0 301.386 3.311 20 10 DGCDRN O=C(NCCCSc1nccs1)c1occ2c1CCC2 ZINC000796419651 626048414 /nfs/dbraw/zinc/04/84/14/626048414.db2.gz RERWNZYHDJFPKV-UHFFFAOYSA-N 0 0 308.428 3.137 20 10 DGCDRN CC[C@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000796680473 626072549 /nfs/dbraw/zinc/07/25/49/626072549.db2.gz SPLLMPZQGQFJHB-VBQJREDUSA-N 0 0 324.440 3.071 20 10 DGCDRN CC[C@H]([NH2+]CCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000796680469 626072610 /nfs/dbraw/zinc/07/26/10/626072610.db2.gz SPLLMPZQGQFJHB-CPUCHLNUSA-N 0 0 324.440 3.071 20 10 DGCDRN COCCc1ccnc(N[C@@H](C)c2cc(F)cc(F)c2O)c1 ZINC000797046606 626107873 /nfs/dbraw/zinc/10/78/73/626107873.db2.gz XSSHSZDGDPIBBF-JTQLQIEISA-N 0 0 308.328 3.427 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2(C(F)(F)F)CC2)c1 ZINC000797071731 626110364 /nfs/dbraw/zinc/11/03/64/626110364.db2.gz UXRBGXOQBMXECK-SECBINFHSA-N 0 0 317.307 3.172 20 10 DGCDRN COc1cccc(CNC(=O)NC[C@@H]2CCC[C@@H](C)[C@H]2C)c1O ZINC000797541623 626152092 /nfs/dbraw/zinc/15/20/92/626152092.db2.gz HMJILZNEKUFLIQ-MCIONIFRSA-N 0 0 320.433 3.272 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCC(F)(F)C2)c1 ZINC000797586976 626155550 /nfs/dbraw/zinc/15/55/50/626155550.db2.gz OJFJRTZIXDJXBI-QWRGUYRKSA-N 0 0 313.344 3.265 20 10 DGCDRN COc1ccc(CNC(=O)Nc2ccc(F)cc2C)c(O)c1 ZINC000797607763 626159357 /nfs/dbraw/zinc/15/93/57/626159357.db2.gz ALAHJOKHVOXPFJ-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN COc1ccc(CNC(=O)Nc2cnc(Cl)c(C)c2)c(O)c1 ZINC000797634075 626160859 /nfs/dbraw/zinc/16/08/59/626160859.db2.gz PVMOPKWJEGWNDS-UHFFFAOYSA-N 0 0 321.764 3.079 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccn(C(C)C)n2)c1 ZINC000797681737 626163739 /nfs/dbraw/zinc/16/37/39/626163739.db2.gz VSIWCNZIOLCWRD-NSHDSACASA-N 0 0 318.377 3.061 20 10 DGCDRN COc1ccc2c(c1)CCCN2C[C@@H]1COc2ccccc2O1 ZINC000797720755 626166086 /nfs/dbraw/zinc/16/60/86/626166086.db2.gz NHFJJQDCZSKBRO-MRXNPFEDSA-N 0 0 311.381 3.288 20 10 DGCDRN CC[C@H]1CCCCN1C(=O)CN1CCCc2cc(OC)ccc21 ZINC000797725124 626166094 /nfs/dbraw/zinc/16/60/94/626166094.db2.gz RJIGIALGMKUBQZ-INIZCTEOSA-N 0 0 316.445 3.239 20 10 DGCDRN COc1cc(NS(=O)(=O)c2cccc(C(C)C)c2)ccc1O ZINC000797819378 626171353 /nfs/dbraw/zinc/17/13/53/626171353.db2.gz HPFJQGUUUFRHEQ-UHFFFAOYSA-N 0 0 321.398 3.325 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1cccc(C(F)(F)F)c1[O-] ZINC000798179477 626199919 /nfs/dbraw/zinc/19/99/19/626199919.db2.gz BTFYNIANOTZDLD-BXKDBHETSA-N 0 0 315.291 3.388 20 10 DGCDRN CN(C)c1ccc(CN(C)Cc2c(F)ccc(O)c2F)cc1 ZINC000798183043 626200366 /nfs/dbraw/zinc/20/03/66/626200366.db2.gz DZFLQAUEODOBQV-UHFFFAOYSA-N 0 0 306.356 3.368 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cc(Cl)cc(F)c1N ZINC000798297778 626209136 /nfs/dbraw/zinc/20/91/36/626209136.db2.gz IZBAXZMRAARNFV-UHFFFAOYSA-N 0 0 308.740 3.039 20 10 DGCDRN CSCCC[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000798964653 626263772 /nfs/dbraw/zinc/26/37/72/626263772.db2.gz OOLPIVQKMXZWLL-UHFFFAOYSA-N 0 0 304.253 3.340 20 10 DGCDRN COc1ccc2occ(C(=O)NCc3ccc(N(C)C)cc3)c2c1 ZINC000799299160 626285614 /nfs/dbraw/zinc/28/56/14/626285614.db2.gz YABQPDMUCYJILG-UHFFFAOYSA-N 0 0 324.380 3.437 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H](CCO)Cc1ccccc1 ZINC000799350653 626294232 /nfs/dbraw/zinc/29/42/32/626294232.db2.gz WQJFVYORIQGMNX-ZDUSSCGKSA-N 0 0 323.795 3.268 20 10 DGCDRN CCN(C(=O)/C=C\c1cnn(C)c1)c1ccc(Cl)c(F)c1 ZINC000799409016 626298722 /nfs/dbraw/zinc/29/87/22/626298722.db2.gz JCBZZMKGQDDMLD-DAXSKMNVSA-N 0 0 307.756 3.279 20 10 DGCDRN C[C@H]([NH2+][C@H](CCO)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000799729388 626325314 /nfs/dbraw/zinc/32/53/14/626325314.db2.gz LILUGKGEVVGEHF-XJKSGUPXSA-N 0 0 303.377 3.176 20 10 DGCDRN COc1ccc(N(C)Cc2cc(C(F)(F)F)n[nH]2)cc1OC ZINC000799734705 626325938 /nfs/dbraw/zinc/32/59/38/626325938.db2.gz NLKJWMWQFJDGTA-UHFFFAOYSA-N 0 0 315.295 3.082 20 10 DGCDRN CCCC[C@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000799858027 626331314 /nfs/dbraw/zinc/33/13/14/626331314.db2.gz YYCVNMNXWPABGC-HNNXBMFYSA-N 0 0 304.434 3.170 20 10 DGCDRN COc1cc(NCc2cccc(OC)c2O)c(C)c(OC)c1 ZINC000800291289 626348862 /nfs/dbraw/zinc/34/88/62/626348862.db2.gz NXHPRKGEYVBDHL-UHFFFAOYSA-N 0 0 303.358 3.339 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2nc3ccccc3s2)cc1 ZINC000800486903 626363917 /nfs/dbraw/zinc/36/39/17/626363917.db2.gz UDBYQWIFQCXHFC-UHFFFAOYSA-N 0 0 311.410 3.292 20 10 DGCDRN COc1cccc(CN(C)c2ccc(OC)c(OC)c2)c1F ZINC000800521322 626365968 /nfs/dbraw/zinc/36/59/68/626365968.db2.gz RIUQEGMFFJXYGN-UHFFFAOYSA-N 0 0 305.349 3.488 20 10 DGCDRN Cc1cc(Br)cc(CNC2(C(F)F)CC2)c1O ZINC000800542482 626366993 /nfs/dbraw/zinc/36/69/93/626366993.db2.gz HGTIMUNDFULRDH-UHFFFAOYSA-N 0 0 306.150 3.350 20 10 DGCDRN C[C@H]1CCCN(c2ccc(CNC(=O)C(F)F)cc2Cl)C1 ZINC000800572400 626367890 /nfs/dbraw/zinc/36/78/90/626367890.db2.gz XBDVYEWSLLDMSI-JTQLQIEISA-N 0 0 316.779 3.458 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cc(Cl)c[nH]1 ZINC000839916213 626370490 /nfs/dbraw/zinc/37/04/90/626370490.db2.gz PXORTKKXXLATEV-GFCCVEGCSA-N 0 0 319.836 3.404 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CCC(F)(F)F ZINC000839917509 626370521 /nfs/dbraw/zinc/37/05/21/626370521.db2.gz FERFBUDXAUHXCQ-LBPRGKRZSA-N 0 0 316.367 3.451 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CCc1ccco1 ZINC000839916286 626370563 /nfs/dbraw/zinc/37/05/63/626370563.db2.gz RECLMCZHVOKZMY-HNNXBMFYSA-N 0 0 314.429 3.334 20 10 DGCDRN CSCCCC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839918476 626371363 /nfs/dbraw/zinc/37/13/63/626371363.db2.gz MHLUCANTXPGYBF-AWEZNQCLSA-N 0 0 308.491 3.251 20 10 DGCDRN CCCSCC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839920026 626373426 /nfs/dbraw/zinc/37/34/26/626373426.db2.gz ZRNJNOVOOGFFOA-AWEZNQCLSA-N 0 0 308.491 3.251 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1C[C@@H]1C(C)C ZINC000839919696 626373681 /nfs/dbraw/zinc/37/36/81/626373681.db2.gz JHJAEIZMZJOFDY-QGTPRVQTSA-N 0 0 302.462 3.400 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)COC1(C)CCC1 ZINC000839920889 626376620 /nfs/dbraw/zinc/37/66/20/626376620.db2.gz VIGMRYZEJXLOOF-OAHLLOKOSA-N 0 0 318.461 3.067 20 10 DGCDRN COc1ccc(O)c([C@H](C)Nc2nc([C@H](C)OC)ns2)c1 ZINC000800848776 626378957 /nfs/dbraw/zinc/37/89/57/626378957.db2.gz CHOSZWZBBXMQTI-IUCAKERBSA-N 0 0 309.391 3.133 20 10 DGCDRN CCCN(Cc1ccccc1O)c1nc([C@H](C)OC)ns1 ZINC000800858394 626379409 /nfs/dbraw/zinc/37/94/09/626379409.db2.gz JCMFEBNYYGKITI-NSHDSACASA-N 0 0 307.419 3.368 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccn(C)c1C ZINC000801549902 626409530 /nfs/dbraw/zinc/40/95/30/626409530.db2.gz GIBXWJRIJXZRML-UHFFFAOYSA-N 0 0 300.402 3.482 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@]1(C)CCOC1 ZINC000802151535 626433420 /nfs/dbraw/zinc/43/34/20/626433420.db2.gz CKNZYIUOPQQIDH-SFHVURJKSA-N 0 0 320.433 3.131 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCC(C)(C)OC ZINC000802205216 626435417 /nfs/dbraw/zinc/43/54/17/626435417.db2.gz PNKOVSUUTCFEFA-UHFFFAOYSA-N 0 0 308.422 3.129 20 10 DGCDRN CCN(CC)c1ccc(CN2CCO[C@@H](C(F)F)C2)cc1F ZINC000802652642 626564979 /nfs/dbraw/zinc/56/49/79/626564979.db2.gz FJHWMGFORZEXGL-OAHLLOKOSA-N 0 0 316.367 3.138 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2nc(C3CC3)oc2C)c1 ZINC000802781553 626571602 /nfs/dbraw/zinc/57/16/02/626571602.db2.gz ARSSDZHBDSCFDL-VIFPVBQESA-N 0 0 316.357 3.066 20 10 DGCDRN CCOC1(C(=O)NCc2c(O)ccc3c2CCCC3)CCCC1 ZINC000802785415 626571908 /nfs/dbraw/zinc/57/19/08/626571908.db2.gz SEOQKTZWILMCQD-UHFFFAOYSA-N 0 0 317.429 3.237 20 10 DGCDRN C[C@@H](NC(=O)Cc1ccc(Cl)cn1)c1ccc(N(C)C)cc1 ZINC000803120524 626595335 /nfs/dbraw/zinc/59/53/35/626595335.db2.gz JJPFGWQGCWPCHP-GFCCVEGCSA-N 0 0 317.820 3.221 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OCc1cn[nH]c1 ZINC000803294154 626603184 /nfs/dbraw/zinc/60/31/84/626603184.db2.gz APQLRCRDOFDHES-UHFFFAOYSA-N 0 0 301.371 3.236 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@H](O)c1ccccc1 ZINC000883203703 626607664 /nfs/dbraw/zinc/60/76/64/626607664.db2.gz JJIUJPQTYSDDNW-NVXWUHKLSA-N 0 0 307.340 3.272 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCC2(O)CCC2)cc1 ZINC000803703615 626628897 /nfs/dbraw/zinc/62/88/97/626628897.db2.gz RYVPGJLVZDLJJQ-UHFFFAOYSA-N 0 0 312.413 3.129 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1ccc(F)cc1[O-] ZINC000883276743 626633923 /nfs/dbraw/zinc/63/39/23/626633923.db2.gz OXYSJWBSXBJEMU-XJKSGUPXSA-N 0 0 307.365 3.016 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000883357709 626659781 /nfs/dbraw/zinc/65/97/81/626659781.db2.gz RJTJSUFAXXDGCO-DGCLKSJQSA-N 0 0 306.362 3.053 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@H]2CCCOC2)cc1 ZINC000804289147 626666026 /nfs/dbraw/zinc/66/60/26/626666026.db2.gz OSQUMELVKWSZOT-SFHVURJKSA-N 0 0 312.413 3.345 20 10 DGCDRN CN(C)c1ccc(CNc2nc(C(F)(F)F)ns2)cc1F ZINC000804391790 626675909 /nfs/dbraw/zinc/67/59/09/626675909.db2.gz CQTBDOIASOJQMY-UHFFFAOYSA-N 0 0 320.315 3.374 20 10 DGCDRN Cc1ccnc(N(C)Cc2ccccc2O)c1Br ZINC000804577641 626693761 /nfs/dbraw/zinc/69/37/61/626693761.db2.gz FWBGUQPYLUPJPY-UHFFFAOYSA-N 0 0 307.191 3.495 20 10 DGCDRN CC[C@H]([NH2+]CCCC(=O)NC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806135292 626700989 /nfs/dbraw/zinc/70/09/89/626700989.db2.gz RVKNVRLMBCXIKM-LBPRGKRZSA-N 0 0 319.232 3.266 20 10 DGCDRN CC[C@@H]([NH2+]CCCC(=O)NC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806135289 626700998 /nfs/dbraw/zinc/70/09/98/626700998.db2.gz RVKNVRLMBCXIKM-GFCCVEGCSA-N 0 0 319.232 3.266 20 10 DGCDRN CC[C@@H]([NH2+]CCOC[C@@H]1CCCO1)c1cccc(Cl)c1[O-] ZINC000806139912 626701717 /nfs/dbraw/zinc/70/17/17/626701717.db2.gz SHJBMRTVBSBTEF-SWLSCSKDSA-N 0 0 313.825 3.282 20 10 DGCDRN CC[C@H]([NH2+]C[C@H](CO)c1cccnc1)c1cccc(Cl)c1[O-] ZINC000806178945 626704951 /nfs/dbraw/zinc/70/49/51/626704951.db2.gz MEMXDYBZDIQUKW-CJNGLKHVSA-N 0 0 320.820 3.257 20 10 DGCDRN Cc1noc(COc2ccc(NCc3ccccc3O)cc2)n1 ZINC000132178568 626705316 /nfs/dbraw/zinc/70/53/16/626705316.db2.gz BLXXRORXCDXTOS-UHFFFAOYSA-N 0 0 311.341 3.275 20 10 DGCDRN COc1ccc(N(C)CC(=O)Nc2ccccc2C)c(OC)c1 ZINC000132261902 626710790 /nfs/dbraw/zinc/71/07/90/626710790.db2.gz IYPFSEGPUVZFDO-UHFFFAOYSA-N 0 0 314.385 3.087 20 10 DGCDRN COc1cnc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000806513695 626718518 /nfs/dbraw/zinc/71/85/18/626718518.db2.gz ITKJRBPINYFGHG-SNVBAGLBSA-N 0 0 320.418 3.100 20 10 DGCDRN O=c1cc(C=Cc2ccc(N3CCOCC3)cc2)nc(C2CC2)[nH]1 ZINC000806563861 626721575 /nfs/dbraw/zinc/72/15/75/626721575.db2.gz BLAKWVQROICZKR-LZCJLJQNSA-N 0 0 323.396 3.067 20 10 DGCDRN Cc1cc2cc(CNC(=O)NCc3ccccc3O)ccc2[nH]1 ZINC000806644382 626729022 /nfs/dbraw/zinc/72/90/22/626729022.db2.gz ZQNFPYPUQCWXLA-UHFFFAOYSA-N 0 0 309.369 3.181 20 10 DGCDRN CCOC1CC(N(C)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000807140006 626747297 /nfs/dbraw/zinc/74/72/97/626747297.db2.gz JDHQJKSEHBALPE-IGEOTXOUSA-N 0 0 319.449 3.023 20 10 DGCDRN C[C@H](NC(=O)c1ccnc2ccncc21)c1ccc(N(C)C)cc1 ZINC000807274208 626752718 /nfs/dbraw/zinc/75/27/18/626752718.db2.gz LETMCMSMQFMHAA-ZDUSSCGKSA-N 0 0 320.396 3.187 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Cc1ccc(F)cn1 ZINC000807486963 626759081 /nfs/dbraw/zinc/75/90/81/626759081.db2.gz ZKQVSVBKJASYII-UHFFFAOYSA-N 0 0 316.376 3.298 20 10 DGCDRN O=C(NCCn1ccc2cc(Cl)ccc21)C1=CC(=O)CS1 ZINC000807665845 626764307 /nfs/dbraw/zinc/76/43/07/626764307.db2.gz FQWSJJLGRFFHKU-UHFFFAOYSA-N 0 0 320.801 3.492 20 10 DGCDRN O=C(Nc1nc(C2CCOCC2)cs1)C1=CC(=O)CS1 ZINC000807755210 626768724 /nfs/dbraw/zinc/76/87/24/626768724.db2.gz KKERSYZTZFOTOE-UHFFFAOYSA-N 0 0 310.400 3.057 20 10 DGCDRN C[NH+](C)CCCCC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807837263 626771532 /nfs/dbraw/zinc/77/15/32/626771532.db2.gz JECCKHWOKRLMHV-UHFFFAOYSA-N 0 0 319.232 3.047 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCC[C@@H]1CCCC1(F)F ZINC000883926335 626772004 /nfs/dbraw/zinc/77/20/04/626772004.db2.gz JRFSOFPCLRTONO-ZDUSSCGKSA-N 0 0 312.360 3.359 20 10 DGCDRN O=C(NCC[C@H]1CCCC1(F)F)N1Cc2cccc(O)c2C1 ZINC000883933316 626773912 /nfs/dbraw/zinc/77/39/12/626773912.db2.gz LYPULLNUWYPBNA-GFCCVEGCSA-N 0 0 310.344 3.243 20 10 DGCDRN COc1cccc(CNc2cc([N+](=O)[O-])ccc2C(C)=O)c1O ZINC000807960556 626779620 /nfs/dbraw/zinc/77/96/20/626779620.db2.gz WRHYRBSQFDIZQY-UHFFFAOYSA-N 0 0 316.313 3.124 20 10 DGCDRN Clc1ccc(N2CC=C(c3c[nH]c4ncccc34)CC2)nn1 ZINC000883999101 626786619 /nfs/dbraw/zinc/78/66/19/626786619.db2.gz CWYBQWGARDBEGW-UHFFFAOYSA-N 0 0 311.776 3.300 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N(C)CC(F)(F)F)cc1 ZINC000800010553 626791210 /nfs/dbraw/zinc/79/12/10/626791210.db2.gz BALNDIJTRFLIEE-UHFFFAOYSA-N 0 0 317.355 3.237 20 10 DGCDRN C[C@@H]1CCN(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000800012707 626791694 /nfs/dbraw/zinc/79/16/94/626791694.db2.gz OOUMURDICYLEIV-CQSZACIVSA-N 0 0 301.434 3.179 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)c1ccccc1 ZINC000808094523 626791795 /nfs/dbraw/zinc/79/17/95/626791795.db2.gz RXGYRNIRJAPTIY-ZDUSSCGKSA-N 0 0 304.386 3.298 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1ccccc1C ZINC000808094119 626791816 /nfs/dbraw/zinc/79/18/16/626791816.db2.gz BJTGDKSBHYPACV-UHFFFAOYSA-N 0 0 304.386 3.045 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1ccccc1Cl ZINC000808094272 626791933 /nfs/dbraw/zinc/79/19/33/626791933.db2.gz IFUIDNIAOIDAJX-UHFFFAOYSA-N 0 0 324.804 3.390 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1cc(C)ccc1C ZINC000808095338 626792355 /nfs/dbraw/zinc/79/23/55/626792355.db2.gz CEJVPZIQKREMEW-UHFFFAOYSA-N 0 0 318.413 3.354 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OCC(=O)C(F)F ZINC000800143375 626812747 /nfs/dbraw/zinc/81/27/47/626812747.db2.gz AEKHXMZXSKZZAV-UHFFFAOYSA-N 0 0 313.325 3.147 20 10 DGCDRN CC(=O)C(=O)COC(=O)c1oc2c(ccc3ccccc23)c1C ZINC000808486650 626831702 /nfs/dbraw/zinc/83/17/02/626831702.db2.gz GUUMDTJOFSXGPR-UHFFFAOYSA-N 0 0 310.305 3.209 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN[C@H](c1nc[nH]n1)c1ccccc1 ZINC000808696685 626850273 /nfs/dbraw/zinc/85/02/73/626850273.db2.gz RSUWWPXRIZDQSV-SFHVURJKSA-N 0 0 321.428 3.058 20 10 DGCDRN CSCC[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000134908014 626891211 /nfs/dbraw/zinc/89/12/11/626891211.db2.gz GRYDWOVCUFXEQV-SSDOTTSWSA-N 0 0 308.216 3.307 20 10 DGCDRN CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4cc(Cl)cc(F)c4[O-])[C@H]1[C@H]3C2 ZINC000809698246 626937766 /nfs/dbraw/zinc/93/77/66/626937766.db2.gz WRJGPBGQFTXCCA-BUEXFPSZSA-N 0 0 311.784 3.040 20 10 DGCDRN C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000809724020 626941930 /nfs/dbraw/zinc/94/19/30/626941930.db2.gz CUKNVMPEOPQTII-XHDPSFHLSA-N 0 0 312.816 3.243 20 10 DGCDRN COc1c(O)c(CN2CCc3cccc(F)c32)ccc1[N+](=O)[O-] ZINC000809766982 626948932 /nfs/dbraw/zinc/94/89/32/626948932.db2.gz CWQUCYYHASAZMY-UHFFFAOYSA-N 0 0 318.304 3.011 20 10 DGCDRN Cc1cc(-c2nnc(N(C)Cc3ccccc3O)n2C)c(C)o1 ZINC000809867017 626957588 /nfs/dbraw/zinc/95/75/88/626957588.db2.gz DBSMHTOOOPMBSM-UHFFFAOYSA-N 0 0 312.373 3.034 20 10 DGCDRN CN(C)c1ccc(OCC(=O)Nc2ccc(F)cc2F)cc1 ZINC000810000907 626966840 /nfs/dbraw/zinc/96/68/40/626966840.db2.gz QQGZPNRUYMGHRT-UHFFFAOYSA-N 0 0 306.312 3.048 20 10 DGCDRN COc1cc([N+](=O)[O-])ccc1COc1ccc(N(C)C)cc1 ZINC000810002472 626967546 /nfs/dbraw/zinc/96/75/46/626967546.db2.gz YDWZBVYLNWSEJJ-UHFFFAOYSA-N 0 0 302.330 3.248 20 10 DGCDRN COCc1nc(CN[C@@H]2C[C@H](C)c3c2c(O)ccc3F)cs1 ZINC000810253657 626993009 /nfs/dbraw/zinc/99/30/09/626993009.db2.gz ZONXRIMDJFNDKR-JOYOIKCWSA-N 0 0 322.405 3.472 20 10 DGCDRN CC(C)c1scnc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000810265592 626995546 /nfs/dbraw/zinc/99/55/46/626995546.db2.gz GNTPRJHPEFSECH-UHFFFAOYSA-N 0 0 321.421 3.402 20 10 DGCDRN CC(C)=CCSCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000840205721 627036486 /nfs/dbraw/zinc/03/64/86/627036486.db2.gz FMVCHQZPEPTTDJ-UHFFFAOYSA-N 0 0 306.475 3.410 20 10 DGCDRN C[C@@H](C(=O)N(C)Cc1ccccc1O)c1c(F)cccc1F ZINC000136463021 627081232 /nfs/dbraw/zinc/08/12/32/627081232.db2.gz AJDIYVBDAJOCIK-LLVKDONJSA-N 0 0 305.324 3.433 20 10 DGCDRN Cc1cc(F)ccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000136983176 627104474 /nfs/dbraw/zinc/10/44/74/627104474.db2.gz ITJUIYBLKLNLRF-UHFFFAOYSA-N 0 0 300.377 3.472 20 10 DGCDRN Cc1ccc(C(=O)N[C@H]2CCCc3sccc32)c(O)c1O ZINC000137412632 627123498 /nfs/dbraw/zinc/12/34/98/627123498.db2.gz UNNBDEPVYKEXLV-LBPRGKRZSA-N 0 0 303.383 3.275 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)[C@@H](O)Cc1ccccc1)c1c([O-])cccc1F ZINC000886553437 627161759 /nfs/dbraw/zinc/16/17/59/627161759.db2.gz NFSUDLPDIWEGCV-DCGLDWPTSA-N 0 0 303.377 3.174 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1c([O-])cccc1F ZINC000886588705 627168852 /nfs/dbraw/zinc/16/88/52/627168852.db2.gz XSCIHDKLIHXGKH-HIFRSBDPSA-N 0 0 303.377 3.176 20 10 DGCDRN C[C@H]([NH2+]CC[C@](C)(O)c1ccccc1)c1c([O-])cccc1F ZINC000886594078 627169185 /nfs/dbraw/zinc/16/91/85/627169185.db2.gz FRXQXWLICOLHKX-UGSOOPFHSA-N 0 0 303.377 3.480 20 10 DGCDRN CNC(=O)C[C@H]([NH2+][C@H](C)c1c([O-])cccc1F)c1ccccc1 ZINC000886605042 627171828 /nfs/dbraw/zinc/17/18/28/627171828.db2.gz IMSYXFMRRGDFEJ-DOMZBBRYSA-N 0 0 316.376 3.059 20 10 DGCDRN C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccccc1)c1c([O-])cccc1F ZINC000886612491 627173038 /nfs/dbraw/zinc/17/30/38/627173038.db2.gz MKSYYHNFDWHMHM-RFUYNDQBSA-N 0 0 315.388 3.348 20 10 DGCDRN COC(=O)c1cnc([C@@H](C)N[C@@H](C)c2c(O)cccc2F)s1 ZINC000886629538 627176524 /nfs/dbraw/zinc/17/65/24/627176524.db2.gz HRWDXTVXBZMKQD-DTWKUNHWSA-N 0 0 324.377 3.186 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1)c1c([O-])cccc1F ZINC000886629433 627176683 /nfs/dbraw/zinc/17/66/83/627176683.db2.gz FCRIZDOHRQUSTQ-SUYBPPKGSA-N 0 0 316.376 3.497 20 10 DGCDRN C[C@H]([NH2+]Cc1cccnc1N1CCCC1)c1c([O-])cccc1F ZINC000886636717 627177826 /nfs/dbraw/zinc/17/78/26/627177826.db2.gz SXWXZQXPEYRIFG-ZDUSSCGKSA-N 0 0 315.392 3.377 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000886676695 627187423 /nfs/dbraw/zinc/18/74/23/627187423.db2.gz KSJLYGLJCDEJKT-RDJZCZTQSA-N 0 0 321.367 3.315 20 10 DGCDRN Nc1ccc(NC(=O)N2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)cc1 ZINC000886961645 627216849 /nfs/dbraw/zinc/21/68/49/627216849.db2.gz VQWIJXKKWHYROZ-HZMBPMFUSA-N 0 0 313.323 3.465 20 10 DGCDRN COc1cc(C)cc([C@@H]2Nc3ccc(C)cc3C(=O)N2C)c1O ZINC000887328007 627244576 /nfs/dbraw/zinc/24/45/76/627244576.db2.gz HOCSQCUTQPLWMY-QGZVFWFLSA-N 0 0 312.369 3.214 20 10 DGCDRN CN(C)c1ccc(-c2nc(-c3cn(CCF)nn3)cs2)cc1 ZINC000887379782 627248894 /nfs/dbraw/zinc/24/88/94/627248894.db2.gz GKSFAEQRIBGROP-UHFFFAOYSA-N 0 0 317.393 3.104 20 10 DGCDRN Nc1ccc(OCc2cn(CC[C@H]3CCCC3(F)F)nn2)cc1 ZINC000887425483 627260885 /nfs/dbraw/zinc/26/08/85/627260885.db2.gz YVQTWGYVHNZZMH-GFCCVEGCSA-N 0 0 322.359 3.265 20 10 DGCDRN COc1ccc2c(c1)CCCCN2Cc1cn(C(C)(C)C)nn1 ZINC000811508445 627283532 /nfs/dbraw/zinc/28/35/32/627283532.db2.gz QKLFFBNFHOQIJZ-UHFFFAOYSA-N 0 0 314.433 3.385 20 10 DGCDRN CC1(C)CN(C(=O)C2=CC(=O)CS2)Cc2ccccc2O1 ZINC000811552321 627290791 /nfs/dbraw/zinc/29/07/91/627290791.db2.gz OXQDIPLJBMPFBH-UHFFFAOYSA-N 0 0 303.383 3.267 20 10 DGCDRN Cc1ccc2c(c1)/C(=C/c1cn3cc(C)ccc3n1)C(=O)N2C ZINC000811700209 627307798 /nfs/dbraw/zinc/30/77/98/627307798.db2.gz IKQQXAJMQFQSNG-SXGWCWSVSA-N 0 0 303.365 3.468 20 10 DGCDRN CO[C@H]1CC[N@H+](Cc2cccc(Br)c2[O-])[C@H](C)C1 ZINC000302276895 627317480 /nfs/dbraw/zinc/31/74/80/627317480.db2.gz BJDPUBUFIHERKU-PWSUYJOCSA-N 0 0 314.223 3.154 20 10 DGCDRN Cc1cc(C)c(CC(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000887767173 627321263 /nfs/dbraw/zinc/32/12/63/627321263.db2.gz BMOVPVDKEQDIQW-UHFFFAOYSA-N 0 0 302.443 3.290 20 10 DGCDRN COc1ccc(O)c(CNc2cc(C(F)(F)F)nc(C)n2)c1 ZINC000811805417 627323208 /nfs/dbraw/zinc/32/32/08/627323208.db2.gz SGCNMVDJIVFCPE-UHFFFAOYSA-N 0 0 313.279 3.130 20 10 DGCDRN CCc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)no1 ZINC000887961176 627348279 /nfs/dbraw/zinc/34/82/79/627348279.db2.gz GFXCNMYWLNWQAL-UHFFFAOYSA-N 0 0 313.401 3.108 20 10 DGCDRN CCN(Cc1occc1C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000840245484 627348999 /nfs/dbraw/zinc/34/89/99/627348999.db2.gz VTGNRBYCFXZRBP-UHFFFAOYSA-N 0 0 315.417 3.386 20 10 DGCDRN CCn1c(CC(C)(C)C)nnc1N(C)Cc1ccccc1O ZINC000812045496 627349857 /nfs/dbraw/zinc/34/98/57/627349857.db2.gz ZVTNVCSGGIBYRO-UHFFFAOYSA-N 0 0 302.422 3.229 20 10 DGCDRN CO[C@H](C)[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000812347850 627373371 /nfs/dbraw/zinc/37/33/71/627373371.db2.gz PFNZCSAQFNVQRV-TZMCWYRMSA-N 0 0 318.392 3.386 20 10 DGCDRN Cc1cc(Cl)cnc1NCc1ccc(N2CCOCC2)cc1 ZINC000812345648 627373452 /nfs/dbraw/zinc/37/34/52/627373452.db2.gz HUXUBAJSLZCTEW-UHFFFAOYSA-N 0 0 317.820 3.492 20 10 DGCDRN COc1cccc(CNc2cc(C)c([N+](=O)[O-])cc2F)c1O ZINC000812457786 627388313 /nfs/dbraw/zinc/38/83/13/627388313.db2.gz UPRMVPRYDKTESF-UHFFFAOYSA-N 0 0 306.293 3.369 20 10 DGCDRN C[C@@H](NC(=O)CCCC1CC1)c1ccc(N2CCOCC2)cc1 ZINC000812484197 627391351 /nfs/dbraw/zinc/39/13/51/627391351.db2.gz XSPKADFAMJFVTE-OAHLLOKOSA-N 0 0 316.445 3.281 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCCC[C@H]1F ZINC000840257520 627394698 /nfs/dbraw/zinc/39/46/98/627394698.db2.gz CKJXYRHYRSUOJJ-IAGOWNOFSA-N 0 0 319.424 3.367 20 10 DGCDRN CC(C)Oc1cc(NCCCSc2nccs2)ncn1 ZINC000840261770 627408717 /nfs/dbraw/zinc/40/87/17/627408717.db2.gz VAIDLKNWGMLGNV-UHFFFAOYSA-N 0 0 310.448 3.315 20 10 DGCDRN Cn1ncc2ccc(C[NH2+]Cc3cc(Cl)cc(F)c3[O-])cc21 ZINC000812771491 627418462 /nfs/dbraw/zinc/41/84/62/627418462.db2.gz WBRTZQJRAWDOKA-UHFFFAOYSA-N 0 0 319.767 3.361 20 10 DGCDRN COc1cc(O)c(CNc2ncc(Cl)cc2C)cc1OC ZINC000812784251 627419393 /nfs/dbraw/zinc/41/93/93/627419393.db2.gz DQLWTCYWZSGKEB-UHFFFAOYSA-N 0 0 308.765 3.378 20 10 DGCDRN O=C(N[C@@H]1C[C@@H]2CCC[C@@H]12)c1cc2cc(O)c(O)cc2s1 ZINC000889619319 627447241 /nfs/dbraw/zinc/44/72/41/627447241.db2.gz XLUIUBZCUNTUPG-JMJZKYOTSA-N 0 0 303.383 3.231 20 10 DGCDRN Cc1ccc(CNC(=O)N(C)Cc2ccccc2O)c(Cl)n1 ZINC000889788798 627466982 /nfs/dbraw/zinc/46/69/82/627466982.db2.gz ONPUEBMUTDYNOV-UHFFFAOYSA-N 0 0 319.792 3.091 20 10 DGCDRN Cc1cccnc1[C@H](NC(=O)c1cccc(O)c1O)C(C)(C)C ZINC000889889150 627477563 /nfs/dbraw/zinc/47/75/63/627477563.db2.gz KOTAGGYRXGQMOL-INIZCTEOSA-N 0 0 314.385 3.318 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1cc2cc(Cl)sc2[nH]1 ZINC000813490460 627493918 /nfs/dbraw/zinc/49/39/18/627493918.db2.gz LCECNWSNPKGJTF-UHFFFAOYSA-N 0 0 322.773 3.224 20 10 DGCDRN COc1cccc(CNc2cnc(-c3ccccc3)cn2)c1O ZINC000813589764 627500278 /nfs/dbraw/zinc/50/02/78/627500278.db2.gz KIBIMXAOIXCVII-UHFFFAOYSA-N 0 0 307.353 3.470 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCC1=CCCOC1 ZINC000813713128 627508379 /nfs/dbraw/zinc/50/83/79/627508379.db2.gz XKNVKPOQUZTGFI-UHFFFAOYSA-N 0 0 324.424 3.479 20 10 DGCDRN Cc1ccoc1CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000814144711 627544404 /nfs/dbraw/zinc/54/44/04/627544404.db2.gz XGEUMVPSRXWUCE-UHFFFAOYSA-N 0 0 309.369 3.321 20 10 DGCDRN CCN(CC)c1ccc(CN(C)[C@H]2CC(C)(C)OC2=O)cc1 ZINC000814180672 627548081 /nfs/dbraw/zinc/54/80/81/627548081.db2.gz QSUTVSLHHJAZQI-INIZCTEOSA-N 0 0 304.434 3.059 20 10 DGCDRN CC(C)(C)C(C)(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000814358336 627560673 /nfs/dbraw/zinc/56/06/73/627560673.db2.gz OSZSCICOYLJNLN-UHFFFAOYSA-N 0 0 318.461 3.212 20 10 DGCDRN Cc1cncc(/C=C\C(=O)N2CCc3c2c(F)ccc3F)c1 ZINC000814425705 627564489 /nfs/dbraw/zinc/56/44/89/627564489.db2.gz FWZCJAGMMSKUBJ-DJWKRKHSSA-N 0 0 300.308 3.271 20 10 DGCDRN CCOC(=O)c1csc(CN(C)c2ccc(OCC)cc2)n1 ZINC000814624314 627580288 /nfs/dbraw/zinc/58/02/88/627580288.db2.gz SJKGLJMIYJSBOJ-UHFFFAOYSA-N 0 0 320.414 3.355 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cc(F)c[nH]2)cc1 ZINC000814824579 627595510 /nfs/dbraw/zinc/59/55/10/627595510.db2.gz BXHNIGONIUVBPU-UHFFFAOYSA-N 0 0 303.381 3.272 20 10 DGCDRN c1cnc2c(c1)nccc2NCc1ccc(N2CCCC2)cc1 ZINC000814822662 627595715 /nfs/dbraw/zinc/59/57/15/627595715.db2.gz XNXKGTWOQWUIHJ-UHFFFAOYSA-N 0 0 304.397 3.264 20 10 DGCDRN Cc1cc(CN2C[C@@H](C)O[C@@H](C(F)(F)F)C2)ccc1N(C)C ZINC000815055754 627619774 /nfs/dbraw/zinc/61/97/74/627619774.db2.gz MIEVLLJEYZSRRZ-IUODEOHRSA-N 0 0 316.367 3.213 20 10 DGCDRN CCOC(=O)[C@@H](NCc1ccc(N(C)C)c(C)c1)C(C)(C)C ZINC000815073661 627622694 /nfs/dbraw/zinc/62/26/94/627622694.db2.gz SWRHSAOIFYROEY-MRXNPFEDSA-N 0 0 306.450 3.128 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCOC[C@@H]2CC2CCC2)c1O ZINC000815293640 627653871 /nfs/dbraw/zinc/65/38/71/627653871.db2.gz KIKDCPXHJUIYHL-INIZCTEOSA-N 0 0 321.392 3.125 20 10 DGCDRN CC(C)(C)c1n[nH]cc1C(=O)NCCCSc1nccs1 ZINC000815590751 627689012 /nfs/dbraw/zinc/68/90/12/627689012.db2.gz HZBGZUUKHIFTEW-UHFFFAOYSA-N 0 0 324.475 3.076 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000815648713 627694979 /nfs/dbraw/zinc/69/49/79/627694979.db2.gz UONAJKBKEHYNHE-JSGCOSHPSA-N 0 0 322.405 3.140 20 10 DGCDRN COc1ccc2ccc(C(=O)NCc3ccccc3O)cc2c1 ZINC000815833218 627707049 /nfs/dbraw/zinc/70/70/49/627707049.db2.gz CPFOGQWOHOKJFX-UHFFFAOYSA-N 0 0 307.349 3.484 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2oc(C(C)C)nc2C)c1 ZINC000815835617 627707170 /nfs/dbraw/zinc/70/71/70/627707170.db2.gz ZFPUZVPMHSFWLM-SNVBAGLBSA-N 0 0 318.373 3.312 20 10 DGCDRN C[C@H](c1cc(F)cc(F)c1[O-])[N@@H+]1CCOc2ccc(N)cc2C1 ZINC000925753231 627788293 /nfs/dbraw/zinc/78/82/93/627788293.db2.gz FJDOQGAWAXHQCB-SNVBAGLBSA-N 0 0 320.339 3.208 20 10 DGCDRN Cc1cc(C(=O)OCC[C@@H]2CCOC2)c(C)n1-c1ccccn1 ZINC000816442858 627790379 /nfs/dbraw/zinc/79/03/79/627790379.db2.gz BKDPJMDJGJUSCP-HNNXBMFYSA-N 0 0 314.385 3.073 20 10 DGCDRN CN(Cc1nnc2ccccn21)Cc1ccc2ccccc2c1O ZINC000816499132 627797518 /nfs/dbraw/zinc/79/75/18/627797518.db2.gz GODFLLJGSXTPSA-UHFFFAOYSA-N 0 0 318.380 3.220 20 10 DGCDRN CC(=O)NCc1ccc(NCc2cc(Cl)c(F)cc2O)cc1 ZINC000816526905 627802683 /nfs/dbraw/zinc/80/26/83/627802683.db2.gz SEGPNADZOHTMDG-UHFFFAOYSA-N 0 0 322.767 3.433 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000816551297 627806119 /nfs/dbraw/zinc/80/61/19/627806119.db2.gz WLJPMDKXNZIASC-AWEZNQCLSA-N 0 0 313.731 3.147 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCOCc1ccccc1 ZINC000816555341 627806601 /nfs/dbraw/zinc/80/66/01/627806601.db2.gz BFWNLSUWBDUOJP-UHFFFAOYSA-N 0 0 309.768 3.491 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H](CO)c1ccccc1 ZINC000816555158 627806643 /nfs/dbraw/zinc/80/66/43/627806643.db2.gz VWYNCYSXDOUKJN-ZDUSSCGKSA-N 0 0 309.768 3.050 20 10 DGCDRN O=[N+]([O-])c1cccc(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])c1 ZINC000816559193 627807150 /nfs/dbraw/zinc/80/71/50/627807150.db2.gz BFEUREPMQVAKFN-UHFFFAOYSA-N 0 0 324.739 3.425 20 10 DGCDRN C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816559224 627807674 /nfs/dbraw/zinc/80/76/74/627807674.db2.gz BVZBXCNOHOXTTC-OTYXRUKQSA-N 0 0 313.756 3.380 20 10 DGCDRN C[C@H](CO)[N@@H+](Cc1cc(Cl)c(F)cc1[O-])CC1CCC1 ZINC000816603012 627813592 /nfs/dbraw/zinc/81/35/92/627813592.db2.gz VOGNEDBREFLHKS-SNVBAGLBSA-N 0 0 301.789 3.168 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1cnn2ccccc12 ZINC000816608634 627814438 /nfs/dbraw/zinc/81/44/38/627814438.db2.gz FMUAMHWFBKZDDX-UHFFFAOYSA-N 0 0 305.740 3.122 20 10 DGCDRN CCCN(CC)C[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816615660 627815740 /nfs/dbraw/zinc/81/57/40/627815740.db2.gz BOZMZJUOCFAEGN-NSHDSACASA-N 0 0 302.821 3.395 20 10 DGCDRN CC1(C)CCC[C@]1(O)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816641098 627818019 /nfs/dbraw/zinc/81/80/19/627818019.db2.gz IMZMWEXOQLPSCM-HNNXBMFYSA-N 0 0 301.789 3.216 20 10 DGCDRN C[N@@H+]1CCC[C@@]2(CCN(Cc3cc(Cl)c(F)cc3[O-])C2)C1 ZINC000816641819 627818326 /nfs/dbraw/zinc/81/83/26/627818326.db2.gz HGJZSUWQHPLVRW-MRXNPFEDSA-N 0 0 312.816 3.102 20 10 DGCDRN CC(C)[C@@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2F)CCCO1 ZINC000816675153 627823098 /nfs/dbraw/zinc/82/30/98/627823098.db2.gz UEMVGNJHGBXSJE-AWEZNQCLSA-N 0 0 301.789 3.432 20 10 DGCDRN O=C(NCc1ccccc1O)c1nc(Cl)sc1Cl ZINC000816912142 627839729 /nfs/dbraw/zinc/83/97/29/627839729.db2.gz LDTSTQFEEKHAHS-UHFFFAOYSA-N 0 0 303.170 3.086 20 10 DGCDRN C[C@H]1C[C@@H](CO)C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000817412542 627896430 /nfs/dbraw/zinc/89/64/30/627896430.db2.gz MJWQCBXQVVECKO-VHSXEESVSA-N 0 0 304.217 3.149 20 10 DGCDRN C[C@H]([NH2+]CC1(CC(N)=O)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817586194 627926686 /nfs/dbraw/zinc/92/66/86/627926686.db2.gz LUJRZEGSPKTDIX-QMMMGPOBSA-N 0 0 317.216 3.005 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@@H](O)CC[C@H]1C ZINC000817767396 627947539 /nfs/dbraw/zinc/94/75/39/627947539.db2.gz ATXWEPCJZXPQDL-RISCZKNCSA-N 0 0 318.442 3.141 20 10 DGCDRN C[C@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000926966481 627991019 /nfs/dbraw/zinc/99/10/19/627991019.db2.gz ZXYQHCJTUFVALL-ZANVPECISA-N 0 0 308.319 3.065 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1cc(F)cc(F)c1[O-] ZINC000927053126 628002804 /nfs/dbraw/zinc/00/28/04/628002804.db2.gz ALPARMHFODZQRJ-NKBRHBOISA-N 0 0 313.344 3.004 20 10 DGCDRN CC[C@@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1ccc(F)cc1[O-] ZINC000927055853 628003601 /nfs/dbraw/zinc/00/36/01/628003601.db2.gz HRLGVFGQGYMCIF-CUBALJKWSA-N 0 0 309.381 3.255 20 10 DGCDRN C[C@H]([NH2+]CC[C@H]1CCC2(CCC2)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927127212 628022110 /nfs/dbraw/zinc/02/21/10/628022110.db2.gz GOFPJUAWPYSXTH-GXTWGEPZSA-N 0 0 320.389 3.443 20 10 DGCDRN C[C@@H]([NH2+][C@H]1c2ccccc2CC[C@H]1O)c1ccc(F)cc1[O-] ZINC000927138601 628024154 /nfs/dbraw/zinc/02/41/54/628024154.db2.gz FIMDYSBXEDJFST-ONUMYQOESA-N 0 0 301.361 3.230 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NC[C@H]1CCCC2(CCC2)O1 ZINC000927156086 628028087 /nfs/dbraw/zinc/02/80/87/628028087.db2.gz MVROWOUYWQLFIS-OAHLLOKOSA-N 0 0 318.417 3.025 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1CCCc2cccnc21)c1ccccc1O ZINC000927397436 628059987 /nfs/dbraw/zinc/05/99/87/628059987.db2.gz RORCHXWGMXAIDT-WFASDCNBSA-N 0 0 311.385 3.225 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CC[C@H]1C ZINC000840372443 628083291 /nfs/dbraw/zinc/08/32/91/628083291.db2.gz DOHWWRUTSODRJI-IFIJOSMWSA-N 0 0 303.450 3.090 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NC[C@H]1CC(C)(C)OC1(C)C ZINC000927616455 628083611 /nfs/dbraw/zinc/08/36/11/628083611.db2.gz SJLWSYDBDCNIET-CQSZACIVSA-N 0 0 320.433 3.127 20 10 DGCDRN O=C1CN(Cc2ccccc2O)C(=O)N1CCCC1CCCC1 ZINC000819165064 628104067 /nfs/dbraw/zinc/10/40/67/628104067.db2.gz NTORKHDQGHIZOU-UHFFFAOYSA-N 0 0 316.401 3.127 20 10 DGCDRN CC(C)CC(C)(C)CN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819169641 628104401 /nfs/dbraw/zinc/10/44/01/628104401.db2.gz AOGATDNILSQGQG-UHFFFAOYSA-N 0 0 318.417 3.229 20 10 DGCDRN CC1(C)CCC(N2C(=O)CN(Cc3ccccc3O)C2=O)CC1 ZINC000819167351 628104456 /nfs/dbraw/zinc/10/44/56/628104456.db2.gz ARNCOHZREWNLJV-UHFFFAOYSA-N 0 0 316.401 3.125 20 10 DGCDRN CCC(CC)(CC)CN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819171513 628105223 /nfs/dbraw/zinc/10/52/23/628105223.db2.gz YKEREJOUKWKRQX-UHFFFAOYSA-N 0 0 318.417 3.373 20 10 DGCDRN CCCOc1ccccc1NC[C@@H](O)COc1ccccc1F ZINC000819398408 628147938 /nfs/dbraw/zinc/14/79/38/628147938.db2.gz MGRPEUQSLMJGAS-CQSZACIVSA-N 0 0 319.376 3.466 20 10 DGCDRN O=C(C(F)=C1CCC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000819420052 628152072 /nfs/dbraw/zinc/15/20/72/628152072.db2.gz POAOMCRFSSCLNL-OAHLLOKOSA-N 0 0 319.376 3.307 20 10 DGCDRN O[C@@H](CNc1ccccc1OCC1CC1)COCc1ccco1 ZINC000819450687 628156565 /nfs/dbraw/zinc/15/65/65/628156565.db2.gz FXJWHWCQYUFLNX-HNNXBMFYSA-N 0 0 317.385 3.058 20 10 DGCDRN O[C@@H](CNc1ccccc1OCCF)COCc1ccccc1 ZINC000819486988 628162401 /nfs/dbraw/zinc/16/24/01/628162401.db2.gz BITNYZYBTQNKES-INIZCTEOSA-N 0 0 319.376 3.025 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)/C=C\[C@@H]1CCCO1 ZINC000819524491 628166669 /nfs/dbraw/zinc/16/66/69/628166669.db2.gz MNQLSUPYUFAWFP-SNGWPZLWSA-N 0 0 303.402 3.256 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)C[C@@H](C)n1cccn1 ZINC000819523790 628166795 /nfs/dbraw/zinc/16/67/95/628166795.db2.gz BEZXQUPRJUHGML-OAHLLOKOSA-N 0 0 315.417 3.369 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CC[C@H](C)C3)C2)cc1 ZINC000819585851 628171332 /nfs/dbraw/zinc/17/13/32/628171332.db2.gz IPMFNZRLGCMWQN-XHSDSOJGSA-N 0 0 316.445 3.074 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](C)C3CCC3)C2)cc1 ZINC000819586528 628171401 /nfs/dbraw/zinc/17/14/01/628171401.db2.gz ANANYYVWARXLAX-GJZGRUSLSA-N 0 0 316.445 3.074 20 10 DGCDRN CC[C@H](C)[C@@H](C)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819586330 628171465 /nfs/dbraw/zinc/17/14/65/628171465.db2.gz NNUNKWPLLSIKLY-ARFHVFGLSA-N 0 0 318.461 3.320 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNC(=O)CCCC(C)C)C2)cc1 ZINC000819591731 628172130 /nfs/dbraw/zinc/17/21/30/628172130.db2.gz WBTJGMXQJAHYCO-INIZCTEOSA-N 0 0 318.461 3.464 20 10 DGCDRN Cc1c(C(=O)NCc2c(O)cccc2F)cnn1CCC(C)C ZINC000928704576 628178911 /nfs/dbraw/zinc/17/89/11/628178911.db2.gz COVFXKXLDORTLW-UHFFFAOYSA-N 0 0 319.380 3.012 20 10 DGCDRN CC1(C(=O)NCc2c(O)cccc2F)CCC(F)(F)CC1 ZINC000928709658 628180050 /nfs/dbraw/zinc/18/00/50/628180050.db2.gz KJXYVNAGJGJFAN-UHFFFAOYSA-N 0 0 301.308 3.363 20 10 DGCDRN CCC[C@@H](C(=O)NCc1c(O)cccc1F)c1ccccn1 ZINC000928709227 628180232 /nfs/dbraw/zinc/18/02/32/628180232.db2.gz ZGRKDFUQEKUCKU-GFCCVEGCSA-N 0 0 302.349 3.126 20 10 DGCDRN Cc1ccccc1CO[C@H](C)C(=O)NCc1c(O)cccc1F ZINC000928708176 628180281 /nfs/dbraw/zinc/18/02/81/628180281.db2.gz AUZCAQXCQOJOSL-CYBMUJFWSA-N 0 0 317.360 3.061 20 10 DGCDRN COc1ccccc1[C@@H](C)CC(=O)NCc1c(O)cccc1F ZINC000928712681 628180601 /nfs/dbraw/zinc/18/06/01/628180601.db2.gz VXQOPMLQJNSPFB-LBPRGKRZSA-N 0 0 317.360 3.350 20 10 DGCDRN C[C@@H](Nc1ccc(Cl)nn1)c1ccc(N2CCOCC2)cc1 ZINC000819912848 628198782 /nfs/dbraw/zinc/19/87/82/628198782.db2.gz XPXBFQQUKJRLSC-GFCCVEGCSA-N 0 0 318.808 3.140 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CC[C@@H](OC)C2)cc1 ZINC000819974531 628207718 /nfs/dbraw/zinc/20/77/18/628207718.db2.gz NTEKFEFXEPWFKB-FUHWJXTLSA-N 0 0 318.461 3.306 20 10 DGCDRN Cc1cn(C)nc1CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000929184977 628221871 /nfs/dbraw/zinc/22/18/71/628221871.db2.gz JRGSUSHEVMSNLK-UHFFFAOYSA-N 0 0 312.461 3.351 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C=CCC1 ZINC000821085598 628335656 /nfs/dbraw/zinc/33/56/56/628335656.db2.gz HQRUHIDZAVAFNS-MRXNPFEDSA-N 0 0 301.434 3.391 20 10 DGCDRN Cc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)nn1C(C)C ZINC000822264881 628433918 /nfs/dbraw/zinc/43/39/18/628433918.db2.gz FQYYGEUZZNOLJR-UHFFFAOYSA-N 0 0 314.433 3.111 20 10 DGCDRN CC(C)(CC(F)(F)F)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000822288423 628436960 /nfs/dbraw/zinc/43/69/60/628436960.db2.gz ZMZQAJPGVYONKY-UHFFFAOYSA-N 0 0 316.283 3.310 20 10 DGCDRN CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CCC(C)(C)C1 ZINC000822601861 628469876 /nfs/dbraw/zinc/46/98/76/628469876.db2.gz CMXDRKCCIDAPCI-ZDUSSCGKSA-N 0 0 302.378 3.500 20 10 DGCDRN CC(C)(CNC(=O)c1ccc(N=NC(N)=O)cc1)C(F)(F)F ZINC000822736702 628486514 /nfs/dbraw/zinc/48/65/14/628486514.db2.gz VPCBMSIYDBRPFJ-UHFFFAOYSA-N 0 0 316.283 3.167 20 10 DGCDRN Cc1sccc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000822867727 628504192 /nfs/dbraw/zinc/50/41/92/628504192.db2.gz JBFFLVICADKDMB-UHFFFAOYSA-N 0 0 300.427 3.369 20 10 DGCDRN CO[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)C1CCC1 ZINC000822898074 628507184 /nfs/dbraw/zinc/50/71/84/628507184.db2.gz HTXAPZJBTNKYDV-SFHVURJKSA-N 0 0 318.461 3.305 20 10 DGCDRN CC(C)(C)Cc1ncc(C(=O)NCc2ccc(O)cc2O)s1 ZINC000822972253 628514499 /nfs/dbraw/zinc/51/44/99/628514499.db2.gz QPMHIQPUZFYJDX-UHFFFAOYSA-N 0 0 320.414 3.073 20 10 DGCDRN Cc1cnccc1/C=C\C(=O)NCCCSc1nccs1 ZINC000823298232 628547622 /nfs/dbraw/zinc/54/76/22/628547622.db2.gz OSEFGNBZTOPLEV-ARJAWSKDSA-N 0 0 319.455 3.158 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)CCC1CC1 ZINC000840478679 628551767 /nfs/dbraw/zinc/55/17/67/628551767.db2.gz AYWVSTRVMHAAHA-OAHLLOKOSA-N 0 0 317.477 3.434 20 10 DGCDRN Oc1ccccc1CN(Cc1ccncc1F)C[C@H]1CCCO1 ZINC000823387063 628555495 /nfs/dbraw/zinc/55/54/95/628555495.db2.gz SZOITVAIJJJMCY-MRXNPFEDSA-N 0 0 316.376 3.108 20 10 DGCDRN CCn1cc(N(CC(C)C)C(=O)/C(C)=C\c2cccnc2)cn1 ZINC000823426805 628560100 /nfs/dbraw/zinc/56/01/00/628560100.db2.gz WWYJNORFIFFUDQ-DHDCSXOGSA-N 0 0 312.417 3.391 20 10 DGCDRN COc1nccc(C[N@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000823448216 628564156 /nfs/dbraw/zinc/56/41/56/628564156.db2.gz VAQJWVADIMONPT-UHFFFAOYSA-N 0 0 313.401 3.136 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCC[C@H]2C2CC2)cc1 ZINC000823563664 628575087 /nfs/dbraw/zinc/57/50/87/628575087.db2.gz DYBZJIBMHNGTJB-ZFWWWQNUSA-N 0 0 314.389 3.405 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@H](C)[C@@H]1C ZINC000840480986 628579230 /nfs/dbraw/zinc/57/92/30/628579230.db2.gz AMAGTATUISQUJT-KKUMJFAQSA-N 0 0 303.450 3.042 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC000823879501 628606406 /nfs/dbraw/zinc/60/64/06/628606406.db2.gz HNMPFJARQRXEAV-DLBZAZTESA-N 0 0 301.434 3.049 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC[C@@H]2C[C@@H]21 ZINC000840483879 628615454 /nfs/dbraw/zinc/61/54/54/628615454.db2.gz LXIQYNHCUMBCNT-LESCRADOSA-N 0 0 315.461 3.186 20 10 DGCDRN COc1nccc(CN2CCCc3cc(OC(F)F)ccc32)n1 ZINC000824159454 628632917 /nfs/dbraw/zinc/63/29/17/628632917.db2.gz AVOMFKOJLZKMNQ-UHFFFAOYSA-N 0 0 321.327 3.039 20 10 DGCDRN CCC[C@H](CC)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000824380142 628656507 /nfs/dbraw/zinc/65/65/07/628656507.db2.gz PSQFADXPDNWACE-GJZGRUSLSA-N 0 0 304.434 3.216 20 10 DGCDRN COc1ccc2c(c1)CCN2Cc1c(C(F)(F)F)cnn1C ZINC000824473566 628664020 /nfs/dbraw/zinc/66/40/20/628664020.db2.gz CSRMNVHWPIFGAB-UHFFFAOYSA-N 0 0 311.307 3.010 20 10 DGCDRN CCOc1ncc(C)cc1NCc1cc(OC)c(OC)cc1O ZINC000824522403 628666619 /nfs/dbraw/zinc/66/66/19/628666619.db2.gz WBTXALJYMOELCN-UHFFFAOYSA-N 0 0 318.373 3.124 20 10 DGCDRN CO[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)C1CCCCC1 ZINC000824669339 628682301 /nfs/dbraw/zinc/68/23/01/628682301.db2.gz JHPCWBCHLWXYDD-QGZVFWFLSA-N 0 0 322.424 3.103 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3ccc(F)s3)ccc21 ZINC000824683137 628683312 /nfs/dbraw/zinc/68/33/12/628683312.db2.gz XJWKAWLATNPWFZ-UHFFFAOYSA-N 0 0 304.390 3.200 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H](C)CC(C)(C)O)c1 ZINC000824702805 628684866 /nfs/dbraw/zinc/68/48/66/628684866.db2.gz QNNKNABSQWBTFZ-SNVBAGLBSA-N 0 0 316.239 3.102 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cncc(Cl)c1 ZINC000824982246 628712859 /nfs/dbraw/zinc/71/28/59/628712859.db2.gz DADSAKVRSCHEJO-UHFFFAOYSA-N 0 0 315.804 3.265 20 10 DGCDRN CCn1ncc(C)c1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000825155967 628733505 /nfs/dbraw/zinc/73/35/05/628733505.db2.gz MSJSGGPCUXEFCQ-CYBMUJFWSA-N 0 0 315.421 3.160 20 10 DGCDRN CC(C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)=C1CCC1 ZINC000825421053 628759300 /nfs/dbraw/zinc/75/93/00/628759300.db2.gz DLTATTCKAXKUSD-OAHLLOKOSA-N 0 0 314.429 3.201 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000825722355 628790599 /nfs/dbraw/zinc/79/05/99/628790599.db2.gz XNSDDANZDLRLKZ-YESZJQIVSA-N 0 0 313.445 3.275 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)C(C)(F)F)c1 ZINC000825736548 628793219 /nfs/dbraw/zinc/79/32/19/628793219.db2.gz CEPOLRARXQVMTE-SECBINFHSA-N 0 0 301.333 3.259 20 10 DGCDRN CN(Cc1ccccc1O)c1ncccc1C(=O)OC(C)(C)C ZINC000825881460 628806650 /nfs/dbraw/zinc/80/66/50/628806650.db2.gz UBQFJVAWKOOGCY-UHFFFAOYSA-N 0 0 314.385 3.379 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)/C=C/c1cccnc1C ZINC000825981580 628817446 /nfs/dbraw/zinc/81/74/46/628817446.db2.gz VUFLLOUNLDXVAO-CSKARUKUSA-N 0 0 309.413 3.094 20 10 DGCDRN CO[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)C[C@H]1C ZINC000826062203 628824369 /nfs/dbraw/zinc/82/43/69/628824369.db2.gz NBSVXSYEXWBLAF-QMTHXVAHSA-N 0 0 314.223 3.012 20 10 DGCDRN COc1cc(CN[C@@H](C)C(=O)OC(C)C)c(O)c(C(C)(C)C)c1 ZINC000826097363 628828406 /nfs/dbraw/zinc/82/84/06/628828406.db2.gz ZMXUKUMVJAKHMW-LBPRGKRZSA-N 0 0 323.433 3.128 20 10 DGCDRN CO[C@@H](C[NH2+]Cc1ccc(Br)cc1O)CC(C)C ZINC000826131372 628830113 /nfs/dbraw/zinc/83/01/13/628830113.db2.gz RZQZRBYICLOITF-CYBMUJFWSA-N 0 0 316.239 3.305 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1C[C@H]1C(F)(F)F ZINC000826137047 628830604 /nfs/dbraw/zinc/83/06/04/628830604.db2.gz LTJQHZNHHXNCCN-DGCLKSJQSA-N 0 0 313.319 3.086 20 10 DGCDRN C/C(=C\C(=O)N1C[C@H](C)Oc2cc(C)ccc21)c1cnccn1 ZINC000826836932 628893287 /nfs/dbraw/zinc/89/32/87/628893287.db2.gz LLUFZLUWRUFOLK-SSUFTNFISA-N 0 0 309.369 3.002 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](C)CC(F)F)c1 ZINC000827160172 628930610 /nfs/dbraw/zinc/93/06/10/628930610.db2.gz LWXLGIDEEOQJMY-NXEZZACHSA-N 0 0 316.348 3.052 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](C)CC(F)F)c1 ZINC000827160174 628930616 /nfs/dbraw/zinc/93/06/16/628930616.db2.gz LWXLGIDEEOQJMY-UWVGGRQHSA-N 0 0 316.348 3.052 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000827316431 628948425 /nfs/dbraw/zinc/94/84/25/628948425.db2.gz AWXPPPKCIXAOFU-HOTGVXAUSA-N 0 0 311.381 3.298 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(F)c(N)c2)cc1 ZINC000827340472 628950775 /nfs/dbraw/zinc/95/07/75/628950775.db2.gz BNCOCOJMELELCG-UHFFFAOYSA-N 0 0 315.392 3.184 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NC[C@@H]1CC2CCC1CC2 ZINC000827454847 628960672 /nfs/dbraw/zinc/96/06/72/628960672.db2.gz UORKYXVDWUINEO-XUJLQICISA-N 0 0 302.418 3.360 20 10 DGCDRN COc1ccc(N(C)Cc2nnc(C3CC3)s2)cc1OC ZINC000827490652 628963450 /nfs/dbraw/zinc/96/34/50/628963450.db2.gz DOGUGLIXKFVLFM-UHFFFAOYSA-N 0 0 305.403 3.069 20 10 DGCDRN CC(C)[C@@H](O)[C@H]([NH2+]Cc1cccc(F)c1[O-])c1ccccc1 ZINC000827526504 628967978 /nfs/dbraw/zinc/96/79/78/628967978.db2.gz MKTDYLXUPWSHIM-IAGOWNOFSA-N 0 0 303.377 3.379 20 10 DGCDRN C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000827733790 628986380 /nfs/dbraw/zinc/98/63/80/628986380.db2.gz OHOJNGWSMLSTKV-BLLLJJGKSA-N 0 0 305.805 3.300 20 10 DGCDRN C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000827733921 628986675 /nfs/dbraw/zinc/98/66/75/628986675.db2.gz RAWDONDLZSAAJH-BZNIZROVSA-N 0 0 323.795 3.439 20 10 DGCDRN C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000827733818 628986826 /nfs/dbraw/zinc/98/68/26/628986826.db2.gz OZWKTSNCRWWWPW-PIGZYNQJSA-N 0 0 323.795 3.439 20 10 DGCDRN CN(C)c1ccc(CN2CCO[C@@H](CC(F)(F)F)C2)cc1F ZINC000827789282 628991662 /nfs/dbraw/zinc/99/16/62/628991662.db2.gz WFGKEFFWKCJQSS-LBPRGKRZSA-N 0 0 320.330 3.045 20 10 DGCDRN COc1cc(CN(C)Cc2noc(C)n2)c(O)c(C(C)(C)C)c1 ZINC000827898672 629001837 /nfs/dbraw/zinc/00/18/37/629001837.db2.gz SDZGXHWIYJIWLW-UHFFFAOYSA-N 0 0 319.405 3.022 20 10 DGCDRN CC(C)n1ncc2cc(C(=O)N[C@H](C)c3ccccc3O)cnc21 ZINC000827923734 629004160 /nfs/dbraw/zinc/00/41/60/629004160.db2.gz YHICQPPPNMCDFF-GFCCVEGCSA-N 0 0 324.384 3.209 20 10 DGCDRN COc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccccc2O)cc1 ZINC000827923542 629004277 /nfs/dbraw/zinc/00/42/77/629004277.db2.gz USHHPBXUKIXQLI-OLZOCXBDSA-N 0 0 315.369 3.046 20 10 DGCDRN C[C@@H](NC(=O)CCSc1ccccn1)c1ccccc1O ZINC000827937163 629005282 /nfs/dbraw/zinc/00/52/82/629005282.db2.gz MRAAHZUTDVTNNF-GFCCVEGCSA-N 0 0 302.399 3.147 20 10 DGCDRN CCCn1ncc(C(=O)N[C@H](C)c2ccccc2O)c1C1CC1 ZINC000827941336 629005802 /nfs/dbraw/zinc/00/58/02/629005802.db2.gz QLGQQNPHXLVHGK-GFCCVEGCSA-N 0 0 313.401 3.367 20 10 DGCDRN Cc1ccc([C@@H](C)[C@H](O)C(=O)N[C@H](C)c2ccccc2O)cc1 ZINC000827941320 629006006 /nfs/dbraw/zinc/00/60/06/629006006.db2.gz QFNBNZCUQTWZIP-LBTNJELSSA-N 0 0 313.397 3.042 20 10 DGCDRN C[C@@H](NC(=O)c1c(Cl)n[nH]c1C1CC1)c1ccccc1O ZINC000827956508 629007687 /nfs/dbraw/zinc/00/76/87/629007687.db2.gz MSDQETGBDCEWJM-MRVPVSSYSA-N 0 0 305.765 3.137 20 10 DGCDRN CC(C)C[C@@H](C(=O)N[C@@H](C)c1ccccc1O)n1ccnc1 ZINC000827960290 629008161 /nfs/dbraw/zinc/00/81/61/629008161.db2.gz NBXKIDBRRDXXPH-ZFWWWQNUSA-N 0 0 301.390 3.053 20 10 DGCDRN CO[C@@H](C)c1nc(C)c(C(=O)N[C@@H](C)c2ccccc2O)s1 ZINC000827972922 629009902 /nfs/dbraw/zinc/00/99/02/629009902.db2.gz DFNYRFOIMHYFCW-ONGXEEELSA-N 0 0 320.414 3.356 20 10 DGCDRN Cc1nn(C(F)F)c(C)c1CC(=O)N[C@@H](C)c1ccccc1O ZINC000827978138 629010262 /nfs/dbraw/zinc/01/02/62/629010262.db2.gz IUOZXBSDQXJYFZ-VIFPVBQESA-N 0 0 323.343 3.021 20 10 DGCDRN C[C@H](CC(=O)N[C@@H](C)c1ccccc1O)C(=O)c1ccccc1 ZINC000827978451 629010326 /nfs/dbraw/zinc/01/03/26/629010326.db2.gz UEVRVCNXFSQDCZ-KGLIPLIRSA-N 0 0 311.381 3.479 20 10 DGCDRN Cc1c(C(=O)N[C@@H](C)c2ccccc2O)cnn1C(C)(C)C ZINC000827981983 629010909 /nfs/dbraw/zinc/01/09/09/629010909.db2.gz JXMMEPWVUFEELU-NSHDSACASA-N 0 0 301.390 3.143 20 10 DGCDRN C[C@H](NC(=O)CCSCc1ccccn1)c1ccccc1O ZINC000827982031 629011180 /nfs/dbraw/zinc/01/11/80/629011180.db2.gz LKJHSPSHRHLNQW-ZDUSSCGKSA-N 0 0 316.426 3.288 20 10 DGCDRN C[C@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1O ZINC000827986381 629011418 /nfs/dbraw/zinc/01/14/18/629011418.db2.gz QDWKKKDIESTPHA-LBPRGKRZSA-N 0 0 324.380 3.232 20 10 DGCDRN COc1ccc(N(C)C[C@@H](O)[C@H](C)c2ccccc2)cc1F ZINC000828040674 629017397 /nfs/dbraw/zinc/01/73/97/629017397.db2.gz LIYYBTKNCNUNFG-CXAGYDPISA-N 0 0 303.377 3.435 20 10 DGCDRN C[C@@H](NC(=O)C[C@H]1CC[C@@H](C(F)(F)F)O1)c1ccccc1O ZINC000828539431 629064501 /nfs/dbraw/zinc/06/45/01/629064501.db2.gz OUJQBZHTPQJRBA-BREBYQMCSA-N 0 0 317.307 3.069 20 10 DGCDRN Cc1cc(CN2CCC(=O)[C@H](C)C2)ccc1N1CCCCC1 ZINC000828965007 629114363 /nfs/dbraw/zinc/11/43/63/629114363.db2.gz ITCMBORPZVNRGV-MRXNPFEDSA-N 0 0 300.446 3.396 20 10 DGCDRN CCN(C)c1ccc(CN2CCc3cc(Cl)nnc3C2)cc1 ZINC000829176176 629137693 /nfs/dbraw/zinc/13/76/93/629137693.db2.gz OTLSJDNYDZXALH-UHFFFAOYSA-N 0 0 316.836 3.144 20 10 DGCDRN CCn1nc(C)c(-c2csc(-c3ccc(N(C)C)cc3)n2)n1 ZINC000829606586 629174288 /nfs/dbraw/zinc/17/42/88/629174288.db2.gz LPVOCMDTEQESGD-UHFFFAOYSA-N 0 0 313.430 3.463 20 10 DGCDRN O=C(COC(=O)[C@H]1CCCC[C@@H]1C1CC1)c1ccc(O)c(O)c1 ZINC000829746229 629187083 /nfs/dbraw/zinc/18/70/83/629187083.db2.gz PLCOODYOLKPGMQ-KGLIPLIRSA-N 0 0 318.369 3.040 20 10 DGCDRN O=C(C[C@H]1CCCN1C(=O)C1=CC(=O)CS1)c1cccs1 ZINC000829774063 629190256 /nfs/dbraw/zinc/19/02/56/629190256.db2.gz WHYSVISFEYLYGB-SNVBAGLBSA-N 0 0 321.423 3.393 20 10 DGCDRN Cc1ncccc1/C=C\C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000829818664 629198244 /nfs/dbraw/zinc/19/82/44/629198244.db2.gz ZLZMEHODBFCQHS-HMVFGEFZSA-N 0 0 309.413 3.347 20 10 DGCDRN O=C(NCc1ccc(N2CCSCC2)cc1)OC1CCCC1 ZINC000830056358 629221006 /nfs/dbraw/zinc/22/10/06/629221006.db2.gz CVMZOQPUYIIWOU-UHFFFAOYSA-N 0 0 320.458 3.409 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1onc2c1CCCC2 ZINC000830147562 629230865 /nfs/dbraw/zinc/23/08/65/629230865.db2.gz UADGYYVCERHCLH-UHFFFAOYSA-N 0 0 314.385 3.311 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2C[C@@H](C)OC3(CCCC3)C2)c1O ZINC000830843579 629311134 /nfs/dbraw/zinc/31/11/34/629311134.db2.gz JSGVWMHEUYETNF-GFCCVEGCSA-N 0 0 321.392 3.267 20 10 DGCDRN CC1(C)CC[C@H]1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000830899529 629318652 /nfs/dbraw/zinc/31/86/52/629318652.db2.gz GNQPFGYWYXHEAH-HOTGVXAUSA-N 0 0 317.429 3.336 20 10 DGCDRN COc1ccc(N(Cc2nsc(N(C)C)n2)CC2CC2)cc1 ZINC000831587762 629393459 /nfs/dbraw/zinc/39/34/59/629393459.db2.gz KVFCPWFDVWDBHL-UHFFFAOYSA-N 0 0 318.446 3.029 20 10 DGCDRN COc1ccc(N(CCO[C@H]2CCCCO2)CC2CC2)cc1 ZINC000831588285 629394039 /nfs/dbraw/zinc/39/40/39/629394039.db2.gz WXWMEWNHEQJGQF-SFHVURJKSA-N 0 0 305.418 3.455 20 10 DGCDRN COc1ccc(N(CC2CC2)C[C@@H]2CC3(CC3)C(=O)O2)cc1 ZINC000831588037 629394080 /nfs/dbraw/zinc/39/40/80/629394080.db2.gz RWPLIPZBZVBRBL-INIZCTEOSA-N 0 0 301.386 3.007 20 10 DGCDRN COc1ccc(CNC(=O)c2ccc(C)nc2C(C)C)c(O)c1 ZINC000831617379 629397577 /nfs/dbraw/zinc/39/75/77/629397577.db2.gz AOCCSVDMFDJJLI-UHFFFAOYSA-N 0 0 314.385 3.158 20 10 DGCDRN CSc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(C)o1 ZINC000831925574 629428508 /nfs/dbraw/zinc/42/85/08/629428508.db2.gz ZADOOXDABUFBAO-VIFPVBQESA-N 0 0 321.398 3.082 20 10 DGCDRN Cc1cc(F)cc(C)c1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000831930797 629429456 /nfs/dbraw/zinc/42/94/56/629429456.db2.gz JDVPSPSNIFJAMC-GFCCVEGCSA-N 0 0 317.360 3.215 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCOCC23CCCCC3)c1O ZINC000832175010 629447951 /nfs/dbraw/zinc/44/79/51/629447951.db2.gz GTBTWYDCZPJKTA-UHFFFAOYSA-N 0 0 321.392 3.269 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c1[O-] ZINC000832343802 629469747 /nfs/dbraw/zinc/46/97/47/629469747.db2.gz LVQMNVYBYSIFLU-QGZVFWFLSA-N 0 0 323.820 3.251 20 10 DGCDRN CCc1ccc(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000832431261 629479418 /nfs/dbraw/zinc/47/94/18/629479418.db2.gz MOVULLAXNJAEQH-AWEZNQCLSA-N 0 0 311.429 3.130 20 10 DGCDRN C[C@@]1(C(=O)[O-])CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000833553399 629619947 /nfs/dbraw/zinc/61/99/47/629619947.db2.gz CVULVPZDFIZPSF-LJQANCHMSA-N 0 0 311.381 3.356 20 10 DGCDRN CCOc1ccc(O)c(C[N@H+](C)[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000833662970 629637413 /nfs/dbraw/zinc/63/74/13/629637413.db2.gz PGPABXUATVHFAZ-QGZVFWFLSA-N 0 0 315.369 3.049 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)CCCCO ZINC000833696867 629642458 /nfs/dbraw/zinc/64/24/58/629642458.db2.gz ZIYMHLJMRUCYPA-GFCCVEGCSA-N 0 0 320.458 3.437 20 10 DGCDRN O=C(C1=CC(=O)CS1)N(CCC(F)(F)F)CC(F)(F)F ZINC000834736819 629769646 /nfs/dbraw/zinc/76/96/46/629769646.db2.gz XRLZLXDXAXHXLG-UHFFFAOYSA-N 0 0 321.242 3.411 20 10 DGCDRN O=C1C[C@H](c2cccc(N[C@@H]3CCc4cccc(O)c43)c2)CN1 ZINC000834755383 629774209 /nfs/dbraw/zinc/77/42/09/629774209.db2.gz FVTXGVFFDDIFDA-GOEBONIOSA-N 0 0 308.381 3.095 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1CCOC2(CCC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834881835 629795929 /nfs/dbraw/zinc/79/59/29/629795929.db2.gz BQCWQSQYYQOYLE-CHWSQXEVSA-N 0 0 320.389 3.300 20 10 DGCDRN C[C@H]1C[C@H](NCc2nn(C)cc2Cl)c2c1c(F)ccc2O ZINC000834882140 629797039 /nfs/dbraw/zinc/79/70/39/629797039.db2.gz GAQLLRLDYPISOK-KWQFWETISA-N 0 0 309.772 3.256 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCCC2(F)F)c1 ZINC000834885416 629797924 /nfs/dbraw/zinc/79/79/24/629797924.db2.gz KNQJSNDTLOTUDY-JQWIXIFHSA-N 0 0 313.344 3.265 20 10 DGCDRN COc1ccc(N2CCN(C(=O)C3CCCCCC3)CC2)cc1 ZINC000101807835 629800396 /nfs/dbraw/zinc/80/03/96/629800396.db2.gz FMUWDOJXHMPJAG-UHFFFAOYSA-N 0 0 316.445 3.314 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1)c1ccc(F)cc1[O-] ZINC000834894730 629800420 /nfs/dbraw/zinc/80/04/20/629800420.db2.gz UHPSUMMCWPZGME-WBHUJUFNSA-N 0 0 316.376 3.497 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cnc(C)cc2C)c1 ZINC000834904365 629805000 /nfs/dbraw/zinc/80/50/00/629805000.db2.gz XJEJSJMVNQPAEZ-ZDUSSCGKSA-N 0 0 314.385 3.041 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](CC)C(=O)NC)c1cc(Cl)cc(Cl)c1[O-] ZINC000834911198 629806574 /nfs/dbraw/zinc/80/65/74/629806574.db2.gz HUMJELYLSCFIJM-NEPJUHHUSA-N 0 0 319.232 3.264 20 10 DGCDRN CC(C)OC(=O)[C@H](C)N(C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835028166 629829283 /nfs/dbraw/zinc/82/92/83/629829283.db2.gz JMMVZBIKRGXCFF-LZNQSLFOSA-N 0 0 304.434 3.038 20 10 DGCDRN COCCCn1ccc(NC/C=C/c2ccc(N(C)C)cc2)n1 ZINC000835043936 629833793 /nfs/dbraw/zinc/83/37/93/629833793.db2.gz WOAGRMUYPPNBTJ-GQCTYLIASA-N 0 0 314.433 3.111 20 10 DGCDRN Cc1noc([C@@H]2CCCN2C/C=C/c2ccc(N(C)C)cc2)n1 ZINC000835052922 629837844 /nfs/dbraw/zinc/83/78/44/629837844.db2.gz IPMBFLWYSIOPJP-YXMMZVCTSA-N 0 0 312.417 3.294 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)/C=C(/C)C3CC3)CC2)cc1 ZINC000102382177 630087971 /nfs/dbraw/zinc/08/79/71/630087971.db2.gz AXWRSDVCCYDIAQ-YPKPFQOOSA-N 0 0 314.429 3.137 20 10 DGCDRN CC[C@@H]1CCC[C@@H]1CNC(=O)NCc1ccc(OC)cc1O ZINC000836559676 630133822 /nfs/dbraw/zinc/13/38/22/630133822.db2.gz RRGRQSJRKGZOJB-CHWSQXEVSA-N 0 0 306.406 3.026 20 10 DGCDRN COc1ccc(CNC(=O)N[C@H](C)CCC=C(C)C)c(O)c1 ZINC000836564745 630134443 /nfs/dbraw/zinc/13/44/43/630134443.db2.gz PKULWOZUIHAAEQ-CYBMUJFWSA-N 0 0 306.406 3.335 20 10 DGCDRN CCC(C)(C)OCCNC(=O)NCc1ccc(N(C)C)cc1C ZINC000836690843 630151531 /nfs/dbraw/zinc/15/15/31/630151531.db2.gz YYJCZBPSHXOCST-UHFFFAOYSA-N 0 0 321.465 3.065 20 10 DGCDRN COCc1ccccc1NCc1ccc(N2CCOCC2)cc1 ZINC000121466521 630160130 /nfs/dbraw/zinc/16/01/30/630160130.db2.gz RUFSPPNTZDFXSZ-UHFFFAOYSA-N 0 0 312.413 3.282 20 10 DGCDRN Cc1ccc(C(=O)N2CC3(CCC3)[C@H]2c2ccco2)c(O)c1O ZINC000837015327 630203032 /nfs/dbraw/zinc/20/30/32/630203032.db2.gz MKAYAHTYSAPFMU-MRXNPFEDSA-N 0 0 313.353 3.367 20 10 DGCDRN CC(C)Oc1ncc(C(=O)NCc2ccc(N)cc2)cc1Cl ZINC000837303275 630237248 /nfs/dbraw/zinc/23/72/48/630237248.db2.gz CUXAJPIAIIHPSG-UHFFFAOYSA-N 0 0 319.792 3.034 20 10 DGCDRN C[C@@H]1CCc2sc(C(=O)NCc3ccc(N)cc3)cc2C1 ZINC000837303553 630237306 /nfs/dbraw/zinc/23/73/06/630237306.db2.gz XNAAHQYTUXXTGK-LLVKDONJSA-N 0 0 300.427 3.385 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)COC(C)(C)CC)cc1 ZINC000837352975 630245562 /nfs/dbraw/zinc/24/55/62/630245562.db2.gz FRVMCMWQVZDVRE-UHFFFAOYSA-N 0 0 306.450 3.354 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@]2(C)CCCCO2)cc1 ZINC000837355981 630246310 /nfs/dbraw/zinc/24/63/10/630246310.db2.gz YDPATCZVTVIJEZ-GOSISDBHSA-N 0 0 304.434 3.108 20 10 DGCDRN C[C@@]1(C(=O)NCc2ccc(N3CCCCC3)cc2)CCCCO1 ZINC000837374402 630250117 /nfs/dbraw/zinc/25/01/17/630250117.db2.gz VZWPYEKWAXSVQI-IBGZPJMESA-N 0 0 316.445 3.252 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)CC(F)(F)F)c1 ZINC000837486353 630265576 /nfs/dbraw/zinc/26/55/76/630265576.db2.gz XHFFDQGWDAQOJT-RKDXNWHRSA-N 0 0 305.296 3.167 20 10 DGCDRN Cc1cc(O)c(CNCc2nccn2CC(C)C)c(Cl)c1 ZINC000840898441 630374540 /nfs/dbraw/zinc/37/45/40/630374540.db2.gz DXPUHZOFWBYFBA-UHFFFAOYSA-N 0 0 307.825 3.496 20 10 DGCDRN COC(=O)[C@@H](NCc1ccc(N(C)C)cc1C)c1ccccc1 ZINC000840940294 630381531 /nfs/dbraw/zinc/38/15/31/630381531.db2.gz YLKJAZCUVRPJAV-SFHVURJKSA-N 0 0 312.413 3.065 20 10 DGCDRN COCCN(Cc1ccccn1)Cc1c(O)cc(C)cc1Cl ZINC000840946557 630381903 /nfs/dbraw/zinc/38/19/03/630381903.db2.gz RFFIFLLODGITSV-UHFFFAOYSA-N 0 0 320.820 3.398 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC(c2ccncn2)CC1 ZINC000840953477 630384290 /nfs/dbraw/zinc/38/42/90/630384290.db2.gz RIKVEGGHAYRKIK-UHFFFAOYSA-N 0 0 321.783 3.354 20 10 DGCDRN COc1cccc(CN([C@@H](C)C(=O)OC(C)(C)C)C2CC2)c1O ZINC000840957009 630384872 /nfs/dbraw/zinc/38/48/72/630384872.db2.gz GUCWQLJQJQWDIN-LBPRGKRZSA-N 0 0 321.417 3.095 20 10 DGCDRN CC(C)(C)c1ccncc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000840958640 630385987 /nfs/dbraw/zinc/38/59/87/630385987.db2.gz LQKOTLHKIZXQMN-UHFFFAOYSA-N 0 0 315.373 3.283 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000840959656 630386201 /nfs/dbraw/zinc/38/62/01/630386201.db2.gz ZFBSDZUIIRGGOB-XJKSGUPXSA-N 0 0 321.779 3.493 20 10 DGCDRN CC(C)(C[NH2+]Cc1cc(Cl)cc(F)c1[O-])OCC1CC1 ZINC000840960891 630386357 /nfs/dbraw/zinc/38/63/57/630386357.db2.gz XETJFTAZQIADEO-UHFFFAOYSA-N 0 0 301.789 3.480 20 10 DGCDRN COCC1CCC([NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000840961643 630387529 /nfs/dbraw/zinc/38/75/29/630387529.db2.gz CMNMSVXFKHPFLU-UHFFFAOYSA-N 0 0 301.789 3.480 20 10 DGCDRN CN(C)c1ccc(CNc2cccc([C@H]3CCC(=O)N3)c2)cc1 ZINC000840972054 630388754 /nfs/dbraw/zinc/38/87/54/630388754.db2.gz GIBIIOFHWUIRBP-GOSISDBHSA-N 0 0 309.413 3.316 20 10 DGCDRN Cc1cc(O)c(CNCc2nnc(C3CC3)s2)c(Cl)c1 ZINC000840973813 630389565 /nfs/dbraw/zinc/38/95/65/630389565.db2.gz VSXUCSGBQDMVHQ-UHFFFAOYSA-N 0 0 309.822 3.373 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(F)ccc2C)c1 ZINC000104124924 630398208 /nfs/dbraw/zinc/39/82/08/630398208.db2.gz IYCOVDQQRQZHQC-NSHDSACASA-N 0 0 303.333 3.339 20 10 DGCDRN Cc1cc(NC(=O)NCCc2ccc(N)cc2)ccc1N(C)C ZINC000841037438 630399839 /nfs/dbraw/zinc/39/98/39/630399839.db2.gz QGJICYUSVBMXNE-UHFFFAOYSA-N 0 0 312.417 3.007 20 10 DGCDRN CC(C)CC[C@@H](NC(=O)C(=O)Nc1ccc(N)cc1)C(C)(C)C ZINC000841038984 630400688 /nfs/dbraw/zinc/40/06/88/630400688.db2.gz WILNAVVPXOLJAS-OAHLLOKOSA-N 0 0 319.449 3.174 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C2SCCCS2)cc1 ZINC000841065983 630403857 /nfs/dbraw/zinc/40/38/57/630403857.db2.gz VUEFAVKQDGAQOJ-UHFFFAOYSA-N 0 0 324.515 3.345 20 10 DGCDRN CC(C)CCN(C(=O)C(=O)Nc1ccc(N)cc1)C1CCCC1 ZINC000841099205 630407853 /nfs/dbraw/zinc/40/78/53/630407853.db2.gz HLPOZFMMLIIQIZ-UHFFFAOYSA-N 0 0 317.433 3.025 20 10 DGCDRN CCO[C@@H](CC)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000841141726 630411317 /nfs/dbraw/zinc/41/13/17/630411317.db2.gz IUGNPNJLCUDSRY-AWEZNQCLSA-N 0 0 324.384 3.150 20 10 DGCDRN Nc1ccc(NC(=O)N2CC[C@H](COc3ccccc3)C2)cc1 ZINC000841295949 630424008 /nfs/dbraw/zinc/42/40/08/630424008.db2.gz KMOMQMDSBWXOAT-AWEZNQCLSA-N 0 0 311.385 3.202 20 10 DGCDRN C[C@@H](CCO)N(Cc1ccccc1)C(=O)Nc1ccc(N)cc1 ZINC000841296219 630424050 /nfs/dbraw/zinc/42/40/50/630424050.db2.gz QXGVECXTOVJEBU-AWEZNQCLSA-N 0 0 313.401 3.074 20 10 DGCDRN C[C@]1(CCNC(=O)Nc2ccc(N)cc2)CC1(Cl)Cl ZINC000841297135 630424462 /nfs/dbraw/zinc/42/44/62/630424462.db2.gz APASZHNJDRVMKU-LBPRGKRZSA-N 0 0 302.205 3.364 20 10 DGCDRN Nc1ccc(NC(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)cc1 ZINC000841296702 630424516 /nfs/dbraw/zinc/42/45/16/630424516.db2.gz XQFPPRRWBXEOLG-RHSMWYFYSA-N 0 0 311.385 3.168 20 10 DGCDRN Nc1ccc(NC(=O)N2CCC3(CC2)OCc2ccccc23)cc1 ZINC000841297828 630424637 /nfs/dbraw/zinc/42/46/37/630424637.db2.gz IODMWMMHFWRAAD-UHFFFAOYSA-N 0 0 323.396 3.322 20 10 DGCDRN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(N)cc1 ZINC000841299800 630424983 /nfs/dbraw/zinc/42/49/83/630424983.db2.gz OEFLUDIWGRECTC-ZJUUUORDSA-N 0 0 301.312 3.464 20 10 DGCDRN Nc1ccc(NC(=O)N(Cc2cccc(O)c2)CC2CC2)cc1 ZINC000841300583 630424986 /nfs/dbraw/zinc/42/49/86/630424986.db2.gz SJAQTBYICPBNKG-UHFFFAOYSA-N 0 0 311.385 3.419 20 10 DGCDRN Nc1ccc(NC(=O)N2CCC(OC3CCCC3)CC2)cc1 ZINC000841301164 630425084 /nfs/dbraw/zinc/42/50/84/630425084.db2.gz CVORPOQIKQEMFS-UHFFFAOYSA-N 0 0 303.406 3.224 20 10 DGCDRN Nc1ccc(NC(=O)N2CCC(CC(F)(F)F)CC2)cc1 ZINC000841300597 630425107 /nfs/dbraw/zinc/42/51/07/630425107.db2.gz WXGXJQJUJOKJAB-UHFFFAOYSA-N 0 0 301.312 3.465 20 10 DGCDRN Nc1ccc(NC(=O)N2CCCN(c3ccccc3)CC2)cc1 ZINC000841301356 630425369 /nfs/dbraw/zinc/42/53/69/630425369.db2.gz MCTRCSCACDHQHI-UHFFFAOYSA-N 0 0 310.401 3.013 20 10 DGCDRN Nc1ccc(CCNC(=O)NCCCCc2ccccc2)cc1 ZINC000841672165 630453360 /nfs/dbraw/zinc/45/33/60/630453360.db2.gz UICHPFYZYUMHIH-UHFFFAOYSA-N 0 0 311.429 3.133 20 10 DGCDRN C[C@@H]([NH2+]CCCN1CCCCCC1=O)c1ccc(Cl)cc1[O-] ZINC000841745347 630461229 /nfs/dbraw/zinc/46/12/29/630461229.db2.gz YFBPPCCGYFLABJ-CYBMUJFWSA-N 0 0 324.852 3.489 20 10 DGCDRN C[C@@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccc(Cl)cc1[O-] ZINC000841750791 630461811 /nfs/dbraw/zinc/46/18/11/630461811.db2.gz BINRGFDGAZVIMJ-SNVBAGLBSA-N 0 0 323.849 3.241 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccc(Cl)cc1[O-] ZINC000841765069 630463270 /nfs/dbraw/zinc/46/32/70/630463270.db2.gz UPTNFXOHLFGIGP-OUCADQQQSA-N 0 0 324.852 3.343 20 10 DGCDRN C[C@@H]([NH2+]CC1(N(C)C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000841762959 630463464 /nfs/dbraw/zinc/46/34/64/630463464.db2.gz NOYVLWMTQDGTAD-SECBINFHSA-N 0 0 303.233 3.444 20 10 DGCDRN CCC[C@H](NC(=O)NCCc1ccc(N)cc1)c1ccccn1 ZINC000841788259 630465253 /nfs/dbraw/zinc/46/52/53/630465253.db2.gz FVXSKLXBUWPTKU-KRWDZBQOSA-N 0 0 312.417 3.047 20 10 DGCDRN C[C@H]1Cc2ccccc2[C@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841809514 630466746 /nfs/dbraw/zinc/46/67/46/630466746.db2.gz ZWYZSNVEYIFMKA-UGSOOPFHSA-N 0 0 309.413 3.044 20 10 DGCDRN CCOCc1cc(C[NH2+]C(C)(C)C[C@@H](C)C(=O)[O-])ccc1OC ZINC000841815795 630468168 /nfs/dbraw/zinc/46/81/68/630468168.db2.gz KUKKLYNGLYZIKE-CYBMUJFWSA-N 0 0 323.433 3.211 20 10 DGCDRN CN(CC1(c2ccccc2)CC1)C(=O)NCCc1ccc(N)cc1 ZINC000841957379 630476743 /nfs/dbraw/zinc/47/67/43/630476743.db2.gz AMJLDWAYUMISGS-UHFFFAOYSA-N 0 0 323.440 3.185 20 10 DGCDRN CC(C)(NC(=O)NCCc1ccc(N)cc1)c1cccc(F)c1 ZINC000841955196 630476889 /nfs/dbraw/zinc/47/68/89/630476889.db2.gz VIQZHIUHWNZMSV-UHFFFAOYSA-N 0 0 315.392 3.185 20 10 DGCDRN CCC[C@]1(C)CCCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841958739 630477142 /nfs/dbraw/zinc/47/71/42/630477142.db2.gz SCRQJGHHEAJAKH-GOSISDBHSA-N 0 0 303.450 3.423 20 10 DGCDRN CCC1CCC(N(C)C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841958374 630477143 /nfs/dbraw/zinc/47/71/43/630477143.db2.gz ZRXXZQQIAZHUBR-UHFFFAOYSA-N 0 0 303.450 3.422 20 10 DGCDRN C[C@@H]1[C@H](C)CN(C(=O)NCCCSc2nccs2)[C@H]1C ZINC000842181600 630503682 /nfs/dbraw/zinc/50/36/82/630503682.db2.gz YUCFOKIOOIPTON-UTUOFQBUSA-N 0 0 313.492 3.311 20 10 DGCDRN Cc1cc(C)c(O)c(CN2CCc3cc(Cl)nnc3C2)c1 ZINC000842619346 630554398 /nfs/dbraw/zinc/55/43/98/630554398.db2.gz ZYQMPQRSVFOPCB-UHFFFAOYSA-N 0 0 303.793 3.011 20 10 DGCDRN CCO[C@@H]1C[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)[C@@H]1SC ZINC000842768506 630574107 /nfs/dbraw/zinc/57/41/07/630574107.db2.gz XXHHWOBFNGMFLG-QKCSRTOESA-N 0 0 319.829 3.183 20 10 DGCDRN C/C=C(\CC)C(=O)OC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000842876715 630587852 /nfs/dbraw/zinc/58/78/52/630587852.db2.gz VYCOPKPMFCGDPF-DIVFHCTNSA-N 0 0 303.402 3.421 20 10 DGCDRN CC[C@@H]1C[C@H]1C(=O)OC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000842876443 630588173 /nfs/dbraw/zinc/58/81/73/630588173.db2.gz YKOKNHKTLSJDNV-JJRVBVJISA-N 0 0 303.402 3.111 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)[C@H](C)C(C)C)C2)cc1 ZINC000842880278 630588537 /nfs/dbraw/zinc/58/85/37/630588537.db2.gz WCGXWEMAHDXKPN-CABCVRRESA-N 0 0 305.418 3.357 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)C[C@@H](C)SC)C2)cc1 ZINC000842877458 630588578 /nfs/dbraw/zinc/58/85/78/630588578.db2.gz AJETWLSTNRYQEM-KGLIPLIRSA-N 0 0 323.458 3.206 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)/C=C\C3CC3)C2)cc1 ZINC000842880025 630588643 /nfs/dbraw/zinc/58/86/43/630588643.db2.gz VPZSMLOHALLMGB-NOKKCYSASA-N 0 0 301.386 3.031 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)c3ccccc3)C2)cc1 ZINC000842880944 630588989 /nfs/dbraw/zinc/58/89/89/630588989.db2.gz HVUOJRFKFMFBDL-OAHLLOKOSA-N 0 0 311.381 3.379 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)C[C@H]3C=CCC3)C2)cc1 ZINC000842881766 630589042 /nfs/dbraw/zinc/58/90/42/630589042.db2.gz RKXNAIGUIVWIRG-JKSUJKDBSA-N 0 0 315.413 3.421 20 10 DGCDRN C[C@@H]1C[C@@H](Nc2ccc3c(c2)nnn3C)c2c1c(F)ccc2O ZINC000842900488 630592247 /nfs/dbraw/zinc/59/22/47/630592247.db2.gz IYGYDIGIVMONDH-NOZJJQNGSA-N 0 0 312.348 3.473 20 10 DGCDRN CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])[C@@H]1SC ZINC000842923911 630593522 /nfs/dbraw/zinc/59/35/22/630593522.db2.gz MBZGPXNCBAKOGJ-QFKGGZDISA-N 0 0 317.401 3.230 20 10 DGCDRN COc1cccc(CNC(=O)Nc2ccc(SC)cc2)c1O ZINC000104986968 630601340 /nfs/dbraw/zinc/60/13/40/630601340.db2.gz UIMBCDAMAZDKMB-UHFFFAOYSA-N 0 0 318.398 3.444 20 10 DGCDRN Cn1c2ccc(OC(=O)[C@H]3CCCOC3)cc2c2c1CCCC2 ZINC000843019471 630604149 /nfs/dbraw/zinc/60/41/49/630604149.db2.gz SPJQCWOVNXJLEH-ZDUSSCGKSA-N 0 0 313.397 3.389 20 10 DGCDRN Cn1c2ccc(OC(=O)C3CCOCC3)cc2c2c1CCCC2 ZINC000843019444 630604387 /nfs/dbraw/zinc/60/43/87/630604387.db2.gz ROYZARUSFRRWKV-UHFFFAOYSA-N 0 0 313.397 3.389 20 10 DGCDRN [NH3+]C[C@H]1c2ccccc2CCN1Cc1cccc(Cl)c1[O-] ZINC000843129573 630617799 /nfs/dbraw/zinc/61/77/99/630617799.db2.gz PXHYUBBSKIVPST-INIZCTEOSA-N 0 0 302.805 3.104 20 10 DGCDRN CCCCn1ncc(-c2nc(Cc3ccc(N)cc3)no2)c1C ZINC000843160313 630623457 /nfs/dbraw/zinc/62/34/57/630623457.db2.gz HIFLGUSJBAIQLC-UHFFFAOYSA-N 0 0 311.389 3.215 20 10 DGCDRN CC(C)c1noc(-c2csc(Cc3ccc(N)cc3)n2)n1 ZINC000843170841 630625492 /nfs/dbraw/zinc/62/54/92/630625492.db2.gz KFVXDEWXACRKMQ-UHFFFAOYSA-N 0 0 300.387 3.490 20 10 DGCDRN CC[C@H](C)Oc1cc(-c2noc(Cc3ccc(N)cc3)n2)ccn1 ZINC000843192646 630631882 /nfs/dbraw/zinc/63/18/82/630631882.db2.gz GSXIFLOTOWSCFN-LBPRGKRZSA-N 0 0 324.384 3.482 20 10 DGCDRN Nc1ccc(Cc2nc(-c3cc(OC4CCC4)ccn3)no2)cc1 ZINC000843194899 630632207 /nfs/dbraw/zinc/63/22/07/630632207.db2.gz XQUHRJFMQUDBEQ-UHFFFAOYSA-N 0 0 322.368 3.236 20 10 DGCDRN COc1ccc(N2CCN(C/C(Cl)=C/Cl)CC2)cc1 ZINC000121534950 630638499 /nfs/dbraw/zinc/63/84/99/630638499.db2.gz KTTWERRICXQGFX-BENRWUELSA-N 0 0 301.217 3.136 20 10 DGCDRN CC[C@H](C)C[C@H]1NC(=O)N([C@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000843307171 630644522 /nfs/dbraw/zinc/64/45/22/630644522.db2.gz CXCCZFSLBWGVBS-WOSRLPQWSA-N 0 0 317.433 3.170 20 10 DGCDRN Oc1c(C[N@@H+]2CCO[C@@]3(CCSC3)C2)ccc2ccccc21 ZINC000843418411 630654741 /nfs/dbraw/zinc/65/47/41/630654741.db2.gz STTZDUJIZCVZHD-SFHVURJKSA-N 0 0 315.438 3.253 20 10 DGCDRN CCC[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCN(C)C1 ZINC000843421861 630655806 /nfs/dbraw/zinc/65/58/06/630655806.db2.gz IOQWCTNAWPVBNY-LBPRGKRZSA-N 0 0 300.805 3.101 20 10 DGCDRN COc1ccc(CNC(=O)[C@H]2CCCC[C@H]2C2CC2)c(O)c1 ZINC000843874432 630702283 /nfs/dbraw/zinc/70/22/83/630702283.db2.gz KKEDGRZGHNPHIC-HOTGVXAUSA-N 0 0 303.402 3.233 20 10 DGCDRN COC[C@@H]1CCN1C(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC000843893409 630702894 /nfs/dbraw/zinc/70/28/94/630702894.db2.gz OBIHUUAEJCYWEZ-INIZCTEOSA-N 0 0 312.413 3.263 20 10 DGCDRN Cc1cc(C(=O)Nc2n[nH]cc2C2CC2)c(C)n1-c1ccccn1 ZINC000843968697 630705329 /nfs/dbraw/zinc/70/53/29/630705329.db2.gz WVKIQMHPXSYZMQ-UHFFFAOYSA-N 0 0 321.384 3.342 20 10 DGCDRN Cc1cc(C(=O)N[C@H]2CCS[C@@H]2C)c(C)n1-c1ccccn1 ZINC000844115876 630709840 /nfs/dbraw/zinc/70/98/40/630709840.db2.gz PPOJCPMYZAQDPT-HIFRSBDPSA-N 0 0 315.442 3.113 20 10 DGCDRN C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1C(=O)C1=CC(=O)CS1 ZINC000844148864 630710655 /nfs/dbraw/zinc/71/06/55/630710655.db2.gz HMKHHTASDJDWQB-BMIGLBTASA-N 0 0 321.373 3.195 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C/c1cc2cnccc2o1 ZINC000844274630 630715124 /nfs/dbraw/zinc/71/51/24/630715124.db2.gz FGQNMVUUKUCNKJ-NTEUORMPSA-N 0 0 313.382 3.284 20 10 DGCDRN COc1ccc(N(C)CCN(C)Cc2cccnc2Cl)cc1 ZINC000844399138 630724534 /nfs/dbraw/zinc/72/45/34/630724534.db2.gz HKLQXVFQGQGHSB-UHFFFAOYSA-N 0 0 319.836 3.312 20 10 DGCDRN CCC[C@@H](CC)S(=O)(=O)Nc1ccc(O)cc1OCC ZINC000844665807 630764066 /nfs/dbraw/zinc/76/40/66/630764066.db2.gz SCRKAHGJCLAEMC-GFCCVEGCSA-N 0 0 301.408 3.111 20 10 DGCDRN CCc1ccncc1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000844705102 630797133 /nfs/dbraw/zinc/79/71/33/630797133.db2.gz HILRSZHRKXYAAU-UHFFFAOYSA-N 0 0 315.392 3.232 20 10 DGCDRN C/C(=C\C(=O)N1CC(C)(C)c2ccc(F)cc21)c1cnccn1 ZINC000844826891 630918973 /nfs/dbraw/zinc/91/89/73/630918973.db2.gz XNSUEWFWDKAHMS-XYOKQWHBSA-N 0 0 311.360 3.343 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)C[C@H](C)C2CC2)cc1 ZINC000844854665 630945176 /nfs/dbraw/zinc/94/51/76/630945176.db2.gz SZMNHLWZUGHJSF-AWEZNQCLSA-N 0 0 304.434 3.026 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)C[C@@H](C)C2CC2)cc1 ZINC000844854667 630945367 /nfs/dbraw/zinc/94/53/67/630945367.db2.gz SZMNHLWZUGHJSF-CQSZACIVSA-N 0 0 304.434 3.026 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)c2ccsc2C)cc1 ZINC000844857053 630947347 /nfs/dbraw/zinc/94/73/47/630947347.db2.gz OWQYLVOGKRATCV-UHFFFAOYSA-N 0 0 318.442 3.274 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CNc2ccccc2C1 ZINC000844909013 630975442 /nfs/dbraw/zinc/97/54/42/630975442.db2.gz ZLOOPHQVZJBERO-CYBMUJFWSA-N 0 0 306.768 3.311 20 10 DGCDRN Cc1cc(CNC(=O)NCc2cc(Cl)ccc2O)cc(C)n1 ZINC000845265954 631157467 /nfs/dbraw/zinc/15/74/67/631157467.db2.gz HYCBQMAIAKIIEL-UHFFFAOYSA-N 0 0 319.792 3.057 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1C[C@H]1C1CCC1 ZINC000845266862 631157566 /nfs/dbraw/zinc/15/75/66/631157566.db2.gz HOMIOLTVIWLASF-FZMZJTMJSA-N 0 0 308.809 3.281 20 10 DGCDRN CCc1nc(SCC(=O)c2ccc(O)c(O)c2)sc1C ZINC000845324496 631164950 /nfs/dbraw/zinc/16/49/50/631164950.db2.gz TWQWTTYIBOUFMS-UHFFFAOYSA-N 0 0 309.412 3.400 20 10 DGCDRN CCC(CC)(C(=O)NCc1ccccc1O)C(=O)OC(C)(C)C ZINC000845833233 631198209 /nfs/dbraw/zinc/19/82/09/631198209.db2.gz ITTKBBIMEUJGKI-UHFFFAOYSA-N 0 0 321.417 3.157 20 10 DGCDRN C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@@](C)(O)c1ccccc1 ZINC000846039447 631207563 /nfs/dbraw/zinc/20/75/63/631207563.db2.gz SUFCXKTYRVIKFJ-SJKOYZFVSA-N 0 0 305.805 3.431 20 10 DGCDRN Cc1cc(Br)c(O)c(CN2CCC[C@H](F)C2)c1 ZINC000846121333 631211066 /nfs/dbraw/zinc/21/10/66/631211066.db2.gz YJOJTEDGKYYICS-NSHDSACASA-N 0 0 302.187 3.397 20 10 DGCDRN CC[C@@H](N[C@H](C)c1cccc(OC)c1O)C(=O)OC(C)(C)C ZINC000846151192 631212250 /nfs/dbraw/zinc/21/22/50/631212250.db2.gz VATTXWOJJAUFBV-DGCLKSJQSA-N 0 0 309.406 3.172 20 10 DGCDRN CC[C@H]([NH2+][C@@H](CO)CCF)c1ccc(Cl)c(Cl)c1[O-] ZINC000846208014 631214882 /nfs/dbraw/zinc/21/48/82/631214882.db2.gz FHLAAPMCHSIXRH-KCJUWKMLSA-N 0 0 310.196 3.460 20 10 DGCDRN CCCC(O)(CCC)CC(=O)NCc1cc(Cl)ccc1O ZINC000846476223 631250364 /nfs/dbraw/zinc/25/03/64/631250364.db2.gz LWYUDTCGXZRGSI-UHFFFAOYSA-N 0 0 313.825 3.383 20 10 DGCDRN CO[C@@H]1CCC[C@@H](CC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846474676 631250715 /nfs/dbraw/zinc/25/07/15/631250715.db2.gz ZCWVYOCRSMVSRV-BXUZGUMPSA-N 0 0 311.809 3.257 20 10 DGCDRN C[C@H]1CN(C(=O)c2cccc(O)c2O)CCc2ccc(F)cc21 ZINC000846618330 631274530 /nfs/dbraw/zinc/27/45/30/631274530.db2.gz WIPPESFIGSVDIY-NSHDSACASA-N 0 0 315.344 3.039 20 10 DGCDRN Nc1ccc(CC(=O)NCC2(c3ccccc3F)CCC2)cc1 ZINC000846689351 631286106 /nfs/dbraw/zinc/28/61/06/631286106.db2.gz VYUDOLJLMYRGLP-UHFFFAOYSA-N 0 0 312.388 3.189 20 10 DGCDRN C[C@]1(c2cccc(F)c2)CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000846691184 631286294 /nfs/dbraw/zinc/28/62/94/631286294.db2.gz VDERVQSLOOLBPN-IBGZPJMESA-N 0 0 312.388 3.141 20 10 DGCDRN CCCS(=O)(=O)CCN(C)c1ccc(-c2nccs2)cc1 ZINC000846990262 631375245 /nfs/dbraw/zinc/37/52/45/631375245.db2.gz DETDGORBSGMXSQ-UHFFFAOYSA-N 0 0 324.471 3.071 20 10 DGCDRN CC(C)[C@@H](C)NC(=O)CN(C)c1ccc(-c2nccs2)cc1 ZINC000846991362 631375278 /nfs/dbraw/zinc/37/52/78/631375278.db2.gz JPRTUZHYCDNXDY-CYBMUJFWSA-N 0 0 317.458 3.407 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CCC(=O)CC23CCC3)c1O ZINC000846991884 631375824 /nfs/dbraw/zinc/37/58/24/631375824.db2.gz FCOWDRNXHVGBOV-UHFFFAOYSA-N 0 0 321.804 3.336 20 10 DGCDRN COc1ccc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)o1 ZINC000847083056 631399803 /nfs/dbraw/zinc/39/98/03/631399803.db2.gz YRXSWXDNMTVWDB-CYBMUJFWSA-N 0 0 316.401 3.024 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc3[nH]ccc3c2)cc1F ZINC000107576579 631659136 /nfs/dbraw/zinc/65/91/36/631659136.db2.gz JJQBCQDYRFYTLA-UHFFFAOYSA-N 0 0 311.360 3.303 20 10 DGCDRN CC(C)(C)c1cnc(SCc2nnn(C(C)(C)C)n2)s1 ZINC000848432787 631662000 /nfs/dbraw/zinc/66/20/00/631662000.db2.gz SDBZVLBQMSSTII-UHFFFAOYSA-N 0 0 311.480 3.474 20 10 DGCDRN CC[C@H]([NH2+]C[C@](C)(CO)OC)c1cc(Cl)cc(Cl)c1[O-] ZINC000848556398 631690550 /nfs/dbraw/zinc/69/05/50/631690550.db2.gz WRULUBMYRATZON-GXTWGEPZSA-N 0 0 322.232 3.137 20 10 DGCDRN CC[C@H]([NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000848559412 631692818 /nfs/dbraw/zinc/69/28/18/631692818.db2.gz WIOKSPKHWCNLHF-ZJOBFFGXSA-N 0 0 324.440 3.070 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-])[C@H]1CCCCO1 ZINC000848567581 631695902 /nfs/dbraw/zinc/69/59/02/631695902.db2.gz ITLYIKXNYJBQMD-YLQAJVPDSA-N 0 0 321.417 3.177 20 10 DGCDRN COc1ccc(C[NH2+][C@H](C(=O)[O-])[C@@H](C)c2ccccc2)cc1C ZINC000849230541 631859531 /nfs/dbraw/zinc/85/95/31/631859531.db2.gz IEHKPQMIRVPRKA-KSSFIOAISA-N 0 0 313.397 3.350 20 10 DGCDRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000108648292 631914191 /nfs/dbraw/zinc/91/41/91/631914191.db2.gz UJDODNXMUOLILZ-CYBMUJFWSA-N 0 0 306.406 3.109 20 10 DGCDRN COc1cc(CNc2cnn(C)c2C)c(O)c(C(C)(C)C)c1 ZINC000850237251 632090653 /nfs/dbraw/zinc/09/06/53/632090653.db2.gz NHYRRHCYYYLICV-UHFFFAOYSA-N 0 0 303.406 3.352 20 10 DGCDRN C[C@@H](C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccn1 ZINC000850341303 632117962 /nfs/dbraw/zinc/11/79/62/632117962.db2.gz GHEQLZDBMWMOJB-JTQLQIEISA-N 0 0 321.764 3.242 20 10 DGCDRN C[C@@H]1CCC[C@@H](C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])O1 ZINC000850379804 632133420 /nfs/dbraw/zinc/13/34/20/632133420.db2.gz YFRFNKYCFXIVRL-SKDRFNHKSA-N 0 0 314.769 3.001 20 10 DGCDRN Cc1cncc(CC[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000850390318 632136979 /nfs/dbraw/zinc/13/69/79/632136979.db2.gz FFEXFSDNCAOONZ-UHFFFAOYSA-N 0 0 312.200 3.130 20 10 DGCDRN CCCNC(=S)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000007404429 632147123 /nfs/dbraw/zinc/14/71/23/632147123.db2.gz XFXVWOUFXRNCIF-UHFFFAOYSA-N 0 0 305.491 3.393 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850482602 632166309 /nfs/dbraw/zinc/16/63/09/632166309.db2.gz QCFDOMTVMPZLFH-NWDGAFQWSA-N 0 0 301.346 3.150 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCOC(C)(C)C)c1 ZINC000850524290 632180088 /nfs/dbraw/zinc/18/00/88/632180088.db2.gz BGTPQJVDQPVIDP-LBPRGKRZSA-N 0 0 309.406 3.035 20 10 DGCDRN C[C@H]([NH2+][C@H]1C[C@H](O)c2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000850529137 632182352 /nfs/dbraw/zinc/18/23/52/632182352.db2.gz PJHSBVYEFXXIGC-RWJJJZRFSA-N 0 0 305.324 3.499 20 10 DGCDRN C[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)c1cc(F)cc(F)c1[O-] ZINC000850534827 632185354 /nfs/dbraw/zinc/18/53/54/632185354.db2.gz NRKMDZJXOVJGIS-SECBINFHSA-N 0 0 307.344 3.132 20 10 DGCDRN COc1ccnc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])c1F ZINC000850536776 632186321 /nfs/dbraw/zinc/18/63/21/632186321.db2.gz JVEXFALIWBJVEJ-QMMMGPOBSA-N 0 0 312.291 3.064 20 10 DGCDRN C[C@H]([NH2+]C[C@H](CO)CC1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000850545594 632187833 /nfs/dbraw/zinc/18/78/33/632187833.db2.gz QILOCBJKGJJWDP-CMPLNLGQSA-N 0 0 317.351 3.470 20 10 DGCDRN CC[C@H]([NH2+]CCc1cncc(C)n1)c1cccc(Cl)c1[O-] ZINC000850549633 632188961 /nfs/dbraw/zinc/18/89/61/632188961.db2.gz IQNCLSTYNTWWDE-HNNXBMFYSA-N 0 0 305.809 3.427 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCc2ccco2)c1 ZINC000850570237 632197369 /nfs/dbraw/zinc/19/73/69/632197369.db2.gz ROYHQCLGNQNQSU-GFCCVEGCSA-N 0 0 303.358 3.055 20 10 DGCDRN COCc1noc(-c2cc(C)n(-c3ccc(F)cc3)c2C)n1 ZINC000109599887 632239251 /nfs/dbraw/zinc/23/92/51/632239251.db2.gz TXHBHWNLKKLWQN-UHFFFAOYSA-N 0 0 301.321 3.430 20 10 DGCDRN COCCCOCCC(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000851093573 632308106 /nfs/dbraw/zinc/30/81/06/632308106.db2.gz QWGBUPAZGCRJFB-UHFFFAOYSA-N 0 0 319.401 3.144 20 10 DGCDRN CN(CC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1O ZINC000109771684 632316876 /nfs/dbraw/zinc/31/68/76/632316876.db2.gz WVMREKZJFBRWFR-UHFFFAOYSA-N 0 0 304.777 3.116 20 10 DGCDRN Oc1ccccc1C[N@H+](CCO[C@H]1CC1(F)F)Cc1ccco1 ZINC000851841092 632507062 /nfs/dbraw/zinc/50/70/62/632507062.db2.gz MZDWTTJIRZQCFK-INIZCTEOSA-N 0 0 323.339 3.412 20 10 DGCDRN CO[C@@H](C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)C1CCC1 ZINC000851840424 632507114 /nfs/dbraw/zinc/50/71/14/632507114.db2.gz GPXVWIZPXBQFAS-MJGOQNOKSA-N 0 0 319.445 3.188 20 10 DGCDRN COC[C@H](CN(C)c1ccc(OCc2ccccc2)cc1)OC ZINC000851966154 632530274 /nfs/dbraw/zinc/53/02/74/632530274.db2.gz ZFLNLNJEGRHRNO-IBGZPJMESA-N 0 0 315.413 3.363 20 10 DGCDRN CCC[C@H](CC)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852024810 632541581 /nfs/dbraw/zinc/54/15/81/632541581.db2.gz NPXLPRGQGUISIH-GJZGRUSLSA-N 0 0 319.449 3.152 20 10 DGCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@H]1CCC(=O)O1 ZINC000852187271 632568355 /nfs/dbraw/zinc/56/83/55/632568355.db2.gz NGCLYEWEEUAFAV-GDBMZVCRSA-N 0 0 303.402 3.036 20 10 DGCDRN C[C@@H](NC(=O)NC[C@H]1CCC[C@@H](C)O1)c1ccc(N(C)C)cc1 ZINC000852261106 632578132 /nfs/dbraw/zinc/57/81/32/632578132.db2.gz KSCDXGWCKJMRAW-CKEIUWERSA-N 0 0 319.449 3.070 20 10 DGCDRN CC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])c1 ZINC000185020877 660199072 /nfs/dbraw/zinc/19/90/72/660199072.db2.gz UQPHRLNAQBKULM-LLVKDONJSA-N 0 0 302.349 3.341 20 10 DGCDRN Cc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000072622208 660206453 /nfs/dbraw/zinc/20/64/53/660206453.db2.gz WTSJIVZLKPUVGG-HNNXBMFYSA-N 0 0 315.369 3.115 20 10 DGCDRN CN1CCCc2cc(CNC(=O)COC3CCCCC3)ccc21 ZINC000058770144 659106186 /nfs/dbraw/zinc/10/61/86/659106186.db2.gz JAIUQSYYNSFHRQ-UHFFFAOYSA-N 0 0 316.445 3.035 20 10 DGCDRN C[C@H]1CN(C(=O)/C=C/c2cncc(F)c2)c2cccc(F)c2O1 ZINC000185605403 660232842 /nfs/dbraw/zinc/23/28/42/660232842.db2.gz YOWCZKLZISCYBC-QRGHLMKCSA-N 0 0 316.307 3.187 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1ccc(F)cc1[O-] ZINC000186094717 660266325 /nfs/dbraw/zinc/26/63/25/660266325.db2.gz YBUVGPXLCIWQDP-WSVYEEACSA-N 0 0 307.390 3.120 20 10 DGCDRN Cc1cc(C(=O)CSc2ncc(-c3ccccc3)n2C)on1 ZINC000186235882 660352307 /nfs/dbraw/zinc/35/23/07/660352307.db2.gz NIXVCSPLNXUWJX-UHFFFAOYSA-N 0 0 313.382 3.359 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(C(F)F)c1 ZINC000186413226 660385193 /nfs/dbraw/zinc/38/51/93/660385193.db2.gz FOSJHIRUVLKFSH-JTQLQIEISA-N 0 0 321.323 3.396 20 10 DGCDRN C[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)[C@@H]1C ZINC000073915402 660574852 /nfs/dbraw/zinc/57/48/52/660574852.db2.gz WXEVLDLZPVIOLR-CHWSQXEVSA-N 0 0 307.413 3.222 20 10 DGCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]CCCCCO ZINC000708098065 660918042 /nfs/dbraw/zinc/91/80/42/660918042.db2.gz CWFYDIBJUCMUQD-UHFFFAOYSA-N 0 0 322.630 3.060 20 10 DGCDRN CC(C)[C@@H]1CN(Cc2c(O)cccc2Br)CCO1 ZINC000708999827 660923731 /nfs/dbraw/zinc/92/37/31/660923731.db2.gz HWLHVMYWXBENJM-AWEZNQCLSA-N 0 0 314.223 3.012 20 10 DGCDRN C[C@@H]1[C@H](C)OCCN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792822270 660986540 /nfs/dbraw/zinc/98/65/40/660986540.db2.gz JNLWGFJDSIMINB-NEPJUHHUSA-N 0 0 316.367 3.381 20 10 DGCDRN C[C@H]1CC[C@@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000792956773 660996877 /nfs/dbraw/zinc/99/68/77/660996877.db2.gz MJYHESWQYOXRBS-DOTOQJQBSA-N 0 0 313.445 3.298 20 10 DGCDRN COc1ccc(CNC(=O)N[C@H]2CCC[C@@H](C(C)C)C2)c(O)c1 ZINC000792983958 660998361 /nfs/dbraw/zinc/99/83/61/660998361.db2.gz GTZJAGLAUDPVBG-HIFRSBDPSA-N 0 0 320.433 3.415 20 10 DGCDRN CC[C@H](C)[C@@H](OC)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000793107710 661005086 /nfs/dbraw/zinc/00/50/86/661005086.db2.gz PVOPVKJLTLAIAP-WMLDXEAASA-N 0 0 306.450 3.210 20 10 DGCDRN CCN(CC1CCC1)C(=O)NCCCSc1nccs1 ZINC000793105150 661005101 /nfs/dbraw/zinc/00/51/01/661005101.db2.gz WBHLYBIZDDWQNF-UHFFFAOYSA-N 0 0 313.492 3.457 20 10 DGCDRN Cc1nc2ccc(S(=O)(=O)Nc3ccc(O)cc3)cc2s1 ZINC000793348786 661025706 /nfs/dbraw/zinc/02/57/06/661025706.db2.gz FACAQWBGSHGQEL-UHFFFAOYSA-N 0 0 320.395 3.111 20 10 DGCDRN COc1cc(NCc2cc3c(cc2O)OCO3)c(C)cc1C ZINC000793391585 661029700 /nfs/dbraw/zinc/02/97/00/661029700.db2.gz ZTLDGCAVQGZWHX-UHFFFAOYSA-N 0 0 301.342 3.358 20 10 DGCDRN CC1(C2CC2)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000793468542 661037493 /nfs/dbraw/zinc/03/74/93/661037493.db2.gz LLESKOQALPMQGC-XVNBXDOJSA-N 0 0 301.386 3.150 20 10 DGCDRN CSCCONC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000794187689 661071166 /nfs/dbraw/zinc/07/11/66/661071166.db2.gz HGEYURPQQLDYRG-UHFFFAOYSA-N 0 0 304.415 3.119 20 10 DGCDRN COc1ccc(CNC(=O)/C=C(\C)c2ccc(F)cc2)c(O)c1 ZINC000794381002 661081811 /nfs/dbraw/zinc/08/18/11/661081811.db2.gz HNLSFFMGQKZFBH-FMIVXFBMSA-N 0 0 315.344 3.260 20 10 DGCDRN COc1ccc(CNC(=O)c2c[nH]cc2-c2ccccc2)c(O)c1 ZINC000794381878 661081814 /nfs/dbraw/zinc/08/18/14/661081814.db2.gz QPCGMQVEBIMXGH-UHFFFAOYSA-N 0 0 322.364 3.326 20 10 DGCDRN COc1ccc(CNC(=O)c2sccc2SC)c(O)c1 ZINC000794378491 661081854 /nfs/dbraw/zinc/08/18/54/661081854.db2.gz WFTONHWZEWSYFK-UHFFFAOYSA-N 0 0 309.412 3.114 20 10 DGCDRN COc1ccc(CNC(=O)C[C@H](C)c2ccccc2F)c(O)c1 ZINC000794379805 661081867 /nfs/dbraw/zinc/08/18/67/661081867.db2.gz WRRNVDWAFYFRAP-LBPRGKRZSA-N 0 0 317.360 3.350 20 10 DGCDRN COc1ccc(CNC(=O)c2ccc(F)cc2Cl)c(O)c1 ZINC000794381061 661081961 /nfs/dbraw/zinc/08/19/61/661081961.db2.gz JSOJOQRQRYSHNS-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN COc1ccc(CNC(=O)c2ccc(Cl)c(C)c2)c(O)c1 ZINC000794386790 661082123 /nfs/dbraw/zinc/08/21/23/661082123.db2.gz AMHIQPFBFBVSAE-UHFFFAOYSA-N 0 0 305.761 3.293 20 10 DGCDRN COc1ccc(CNC(=O)c2cc3cc(C)ccc3[nH]2)c(O)c1 ZINC000794382257 661082220 /nfs/dbraw/zinc/08/22/20/661082220.db2.gz SMWZZCCWRRYJNC-UHFFFAOYSA-N 0 0 310.353 3.121 20 10 DGCDRN Cc1cc(CN2CCCc3cc(OC(F)F)ccc32)ncn1 ZINC000794403197 661083382 /nfs/dbraw/zinc/08/33/82/661083382.db2.gz DIFQQMBUDPHGPT-UHFFFAOYSA-N 0 0 305.328 3.339 20 10 DGCDRN Cc1cncc(CCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000794434385 661084558 /nfs/dbraw/zinc/08/45/58/661084558.db2.gz NGXHMOBHTVXYPW-OAHLLOKOSA-N 0 0 311.429 3.266 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN[C@H](c1ncc[nH]1)c1cccnc1 ZINC000794800528 661105591 /nfs/dbraw/zinc/10/55/91/661105591.db2.gz DGPZUUFAIYHCOL-SFHVURJKSA-N 0 0 321.428 3.058 20 10 DGCDRN Cc1oc(C(C)C)nc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000794807440 661105988 /nfs/dbraw/zinc/10/59/88/661105988.db2.gz GGVFPLSMYYMSPA-UHFFFAOYSA-N 0 0 301.390 3.102 20 10 DGCDRN CN(C)c1ccc(CN2C[C@@H](C(F)(F)F)OC(C)(C)C2)cc1 ZINC000795063294 661125127 /nfs/dbraw/zinc/12/51/27/661125127.db2.gz BYENFSUDGKSDNM-AWEZNQCLSA-N 0 0 316.367 3.294 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@](C)(CC)OC)cc1F ZINC000795086657 661125842 /nfs/dbraw/zinc/12/58/42/661125842.db2.gz QRRLKXZSINGKLM-QGZVFWFLSA-N 0 0 310.413 3.103 20 10 DGCDRN C[C@@H](CC(=O)NCc1ccc2c(c1)CCCN2C)c1ccncc1 ZINC000160277590 655582916 /nfs/dbraw/zinc/58/29/16/655582916.db2.gz MHJNYFUKIGVWAC-HNNXBMFYSA-N 0 0 323.440 3.274 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2ccc(Cl)cn2)cc1 ZINC000175817839 655604332 /nfs/dbraw/zinc/60/43/32/655604332.db2.gz YTYOWHFXOVSLNO-UHFFFAOYSA-N 0 0 304.781 3.123 20 10 DGCDRN COc1cc(CN2CCCC[C@@H]2c2cc[nH]n2)c(O)cc1C ZINC000795664484 661166385 /nfs/dbraw/zinc/16/63/85/661166385.db2.gz ANLCQGQFRKHXAD-OAHLLOKOSA-N 0 0 301.390 3.160 20 10 DGCDRN COc1cc(O)c(CN(C)c2cc(F)ccc2F)cc1OC ZINC000160488432 655644104 /nfs/dbraw/zinc/64/41/04/655644104.db2.gz VTDXRRPZEDBPKF-UHFFFAOYSA-N 0 0 309.312 3.324 20 10 DGCDRN COc1cccc(CNC(=O)NCC(C)(C)CC(C)C)c1O ZINC000083750695 655652961 /nfs/dbraw/zinc/65/29/61/655652961.db2.gz FMAGNCRNLYUSCR-UHFFFAOYSA-N 0 0 308.422 3.272 20 10 DGCDRN CNc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cn1 ZINC000795766910 661171889 /nfs/dbraw/zinc/17/18/89/661171889.db2.gz DTZRZSFCRDWFDO-UHFFFAOYSA-N 0 0 324.428 3.044 20 10 DGCDRN COc1ccc(C[NH2+]Cc2cccc(Br)c2[O-])cc1 ZINC000048794713 655777454 /nfs/dbraw/zinc/77/74/54/655777454.db2.gz IZVVBWPFCMXALL-UHFFFAOYSA-N 0 0 322.202 3.453 20 10 DGCDRN C/C(=C/C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C1CC1 ZINC000065561628 655784980 /nfs/dbraw/zinc/78/49/80/655784980.db2.gz JBLAZTJAUYJEPY-PLFFATQSSA-N 0 0 314.429 3.057 20 10 DGCDRN Cc1cc(Br)cc(C(=O)NCc2ccccc2O)c1 ZINC000158302962 655834551 /nfs/dbraw/zinc/83/45/51/655834551.db2.gz JQPUYVVIDNSLBY-UHFFFAOYSA-N 0 0 320.186 3.393 20 10 DGCDRN O=C(COC1CCCCC1)NCc1ccc(N2CCCC2)cc1 ZINC000052807235 655843635 /nfs/dbraw/zinc/84/36/35/655843635.db2.gz WPGNNSIRPNELKS-UHFFFAOYSA-N 0 0 316.445 3.252 20 10 DGCDRN C[C@H](Sc1nccs1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000052914371 655846651 /nfs/dbraw/zinc/84/66/51/655846651.db2.gz PXWNBJAOZXASSZ-JQWIXIFHSA-N 0 0 320.439 3.264 20 10 DGCDRN CCN(CC)c1ccc(CNc2nc(CCOC)ns2)cc1 ZINC000176819317 655847888 /nfs/dbraw/zinc/84/78/88/655847888.db2.gz RRLOGYFOJNRXFH-UHFFFAOYSA-N 0 0 320.462 3.185 20 10 DGCDRN Cc1ccc(OC(F)F)c(/C=C2\SC(=S)N(C)C2=O)c1 ZINC000255618507 655876898 /nfs/dbraw/zinc/87/68/98/655876898.db2.gz YRADFFYAQDXVSF-POHAHGRESA-N 0 0 315.366 3.427 20 10 DGCDRN Cc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2F)c(O)c1O ZINC000179391161 655891707 /nfs/dbraw/zinc/89/17/07/655891707.db2.gz LAWHYXKSRWYZIT-SECBINFHSA-N 0 0 307.296 3.175 20 10 DGCDRN Cc1cnccc1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000179848643 655916447 /nfs/dbraw/zinc/91/64/47/655916447.db2.gz OJKSFGSVFKXMLP-UHFFFAOYSA-N 0 0 310.401 3.312 20 10 DGCDRN COc1ccc(NC(=O)N(C)Cc2ccccc2O)c(C)c1 ZINC000066163748 655935476 /nfs/dbraw/zinc/93/54/76/655935476.db2.gz FBKWNJLIDGNFIQ-UHFFFAOYSA-N 0 0 300.358 3.373 20 10 DGCDRN CCS[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)C ZINC000066603095 655955996 /nfs/dbraw/zinc/95/59/96/655955996.db2.gz UYEMCQNWIBQJAQ-INIZCTEOSA-N 0 0 308.491 3.489 20 10 DGCDRN Cc1ccc([N+](=O)[O-])c(NCc2ccc(N3CC=CC3)cc2)n1 ZINC000178235458 655993556 /nfs/dbraw/zinc/99/35/56/655993556.db2.gz MTHSKRJQVTZIRZ-UHFFFAOYSA-N 0 0 310.357 3.287 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC1CCSCC1 ZINC000066702460 655994560 /nfs/dbraw/zinc/99/45/60/655994560.db2.gz VDSKFSDUCMKJJM-UHFFFAOYSA-N 0 0 308.447 3.209 20 10 DGCDRN COc1cccc(CNC(=O)/C=C/c2ccc(Cl)s2)c1O ZINC000178253579 656002927 /nfs/dbraw/zinc/00/29/27/656002927.db2.gz DHKHGAUWJQKJCD-SOFGYWHQSA-N 0 0 323.801 3.445 20 10 DGCDRN COc1cccc(CNC(=O)C(C)(C)c2ccccc2C)c1O ZINC000178260499 656005293 /nfs/dbraw/zinc/00/52/93/656005293.db2.gz OWPUGBSWJAJZHN-UHFFFAOYSA-N 0 0 313.397 3.303 20 10 DGCDRN CSCCC[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715744706 661214103 /nfs/dbraw/zinc/21/41/03/661214103.db2.gz IOWDSUNPXCUZHZ-UHFFFAOYSA-N 0 0 308.216 3.137 20 10 DGCDRN C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(F)cc1F ZINC000180597945 656094286 /nfs/dbraw/zinc/09/42/86/656094286.db2.gz OQHGNBZXPCRYLO-KFEJWOFMSA-N 0 0 319.307 3.267 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc2c(c1)CCCO2 ZINC000181012728 656096770 /nfs/dbraw/zinc/09/67/70/656096770.db2.gz WOZDMINQKPCTBC-XBXARRHUSA-N 0 0 311.337 3.075 20 10 DGCDRN Cc1ccc(C(=O)Nc2cccc(N(C)C)c2C)c(O)c1O ZINC000182991556 656109799 /nfs/dbraw/zinc/10/97/99/656109799.db2.gz BHHANKBVYPSUMM-UHFFFAOYSA-N 0 0 300.358 3.033 20 10 DGCDRN Cc1ccn2ncc(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)c2c1 ZINC000828860536 661233000 /nfs/dbraw/zinc/23/30/00/661233000.db2.gz DTSSWSZLVUHEJD-CQSZACIVSA-N 0 0 322.412 3.200 20 10 DGCDRN Cc1cccc2c1O[C@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C2 ZINC000828860845 661233054 /nfs/dbraw/zinc/23/30/54/661233054.db2.gz IPDFAPYIGPLDIL-KDOFPFPSSA-N 0 0 324.424 3.242 20 10 DGCDRN C[C@@H](NC(=O)Cc1ccc(O)c(F)c1)c1ccc(N(C)C)cc1 ZINC000828861886 661233100 /nfs/dbraw/zinc/23/31/00/661233100.db2.gz RGPTYEVCQOGXGN-GFCCVEGCSA-N 0 0 316.376 3.017 20 10 DGCDRN O=[N+]([O-])c1cnc(NCc2ccc(N3CC=CC3)cc2)s1 ZINC000192461975 656178733 /nfs/dbraw/zinc/17/87/33/656178733.db2.gz NWINRMYKJOVWPK-UHFFFAOYSA-N 0 0 302.359 3.040 20 10 DGCDRN Cc1cccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1F ZINC000194002019 656196530 /nfs/dbraw/zinc/19/65/30/656196530.db2.gz VGHPYRKZBBXZHJ-NSHDSACASA-N 0 0 318.348 3.298 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3C[C@@H](C)OC[C@@H]3C)c2c1 ZINC000026666617 656253869 /nfs/dbraw/zinc/25/38/69/656253869.db2.gz BRBIVJKQPFIOQF-QWHCGFSZSA-N 0 0 301.386 3.163 20 10 DGCDRN CCOC(=O)c1cnc(Sc2ccc(NC(C)=O)cc2)s1 ZINC000313992771 656365115 /nfs/dbraw/zinc/36/51/15/656365115.db2.gz XZKRPDAPESZWAE-UHFFFAOYSA-N 0 0 322.411 3.429 20 10 DGCDRN C[C@H](Nc1cccc(C(=O)N(C)C)c1)c1cc(F)ccc1O ZINC000317049585 656556439 /nfs/dbraw/zinc/55/64/39/656556439.db2.gz SHSOALXVARNVTG-NSHDSACASA-N 0 0 302.349 3.406 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N(CC)C2CC2)cc1F ZINC000066979156 656653627 /nfs/dbraw/zinc/65/36/27/656653627.db2.gz CWQZDJFACVVDFD-UHFFFAOYSA-N 0 0 307.413 3.366 20 10 DGCDRN Cc1cc(C(=O)N2CCO[C@H](C)C2)c(C)n1-c1ccccc1C ZINC000054134564 656969163 /nfs/dbraw/zinc/96/91/63/656969163.db2.gz MXFZELCJRBKVJK-OAHLLOKOSA-N 0 0 312.413 3.263 20 10 DGCDRN Cc1ccc(C=C2SC(=S)NC2=O)c(Br)c1 ZINC000178863203 657092409 /nfs/dbraw/zinc/09/24/09/657092409.db2.gz VXIPVZGQISAEOG-UITAMQMPSA-N 0 0 314.229 3.246 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCC(F)(F)F ZINC000048693943 657288881 /nfs/dbraw/zinc/28/88/81/657288881.db2.gz TWZJDAQVELCDFB-UHFFFAOYSA-N 0 0 302.321 3.448 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1noc2c1CCCC2 ZINC000163190124 657475259 /nfs/dbraw/zinc/47/52/59/657475259.db2.gz NHUZUNKCFFNEJW-UHFFFAOYSA-N 0 0 313.401 3.018 20 10 DGCDRN COC(=O)[C@H](N[C@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000321406822 658187097 /nfs/dbraw/zinc/18/70/97/658187097.db2.gz ISPZBUPNFQQSQM-RDTXWAMCSA-N 0 0 312.413 3.318 20 10 DGCDRN CCN(CC)C(=O)CSc1ncc(-c2ccccc2)n1C ZINC000000420663 658431189 /nfs/dbraw/zinc/43/11/89/658431189.db2.gz XKQQXUADKOJQMB-UHFFFAOYSA-N 0 0 303.431 3.048 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000129174294 658827407 /nfs/dbraw/zinc/82/74/07/658827407.db2.gz MGRKAXGAAMAFOI-UHFFFAOYSA-N 0 0 324.211 3.384 20 10 DGCDRN COCCCCNC(=O)c1sccc1-n1c(C)ccc1C ZINC000056746603 658985581 /nfs/dbraw/zinc/98/55/81/658985581.db2.gz WDNRASSGRPBCFM-UHFFFAOYSA-N 0 0 306.431 3.312 20 10 DGCDRN CC[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000057647181 659023404 /nfs/dbraw/zinc/02/34/04/659023404.db2.gz PZEFUHVBHIEUQU-ZDUSSCGKSA-N 0 0 307.413 3.223 20 10 DGCDRN C[C@@H]1C[C@H](C)CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000057646708 659023593 /nfs/dbraw/zinc/02/35/93/659023593.db2.gz IBLPDEJGOPRDCY-BETUJISGSA-N 0 0 307.413 3.079 20 10 DGCDRN Cc1nc(CN(C)Cc2ccc(N3CCCCC3)cc2)no1 ZINC000045915644 659062147 /nfs/dbraw/zinc/06/21/47/659062147.db2.gz XUVJXEJALYNNGV-UHFFFAOYSA-N 0 0 300.406 3.000 20 10 DGCDRN Cc1ccc(CNC(=O)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000058515069 659085569 /nfs/dbraw/zinc/08/55/69/659085569.db2.gz VUCUHWSFYHLASW-UHFFFAOYSA-N 0 0 315.392 3.200 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N3CCc4ccccc43)ccc21 ZINC000058601740 659091003 /nfs/dbraw/zinc/09/10/03/659091003.db2.gz OOGMMRDTDDLTFZ-UHFFFAOYSA-N 0 0 321.424 3.341 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000158022002 659132935 /nfs/dbraw/zinc/13/29/35/659132935.db2.gz OWAXJMGWXDCWCL-UHFFFAOYSA-N 0 0 302.805 3.368 20 10 DGCDRN COc1ccc(O)c(CNc2ccc(Br)nc2)c1 ZINC000226665112 659135064 /nfs/dbraw/zinc/13/50/64/659135064.db2.gz SGSKGMVHBLWIAV-UHFFFAOYSA-N 0 0 309.163 3.170 20 10 DGCDRN CO[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2[O-])C1(C)C ZINC000227830032 659165448 /nfs/dbraw/zinc/16/54/48/659165448.db2.gz CDVGKJBIKDFXNC-VXGBXAGGSA-N 0 0 314.223 3.058 20 10 DGCDRN Cc1occc1CN(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000060587922 659188206 /nfs/dbraw/zinc/18/82/06/659188206.db2.gz GRNWXBNUCMCUIM-UHFFFAOYSA-N 0 0 319.380 3.135 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](c1ccccc1)N(C)C)c1ccc(F)cc1[O-] ZINC000170788844 659237698 /nfs/dbraw/zinc/23/76/98/659237698.db2.gz SINXJPJXXJMTQT-DYVFJYSZSA-N 0 0 302.393 3.485 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2cc(F)ccc2F)c1 ZINC000172055056 659313484 /nfs/dbraw/zinc/31/34/84/659313484.db2.gz ZCMDVLRWUCNCGN-UHFFFAOYSA-N 0 0 308.284 3.001 20 10 DGCDRN Cc1ncsc1/C=C1\SC(=S)N(c2cccnc2)C1=O ZINC000172815381 659356403 /nfs/dbraw/zinc/35/64/03/659356403.db2.gz YOIUXXJCDHGRPD-WZUFQYTHSA-N 0 0 319.436 3.252 20 10 DGCDRN [O-]c1c(Br)cccc1C[NH2+]C1Cc2ccccc2C1 ZINC000231032237 659363801 /nfs/dbraw/zinc/36/38/01/659363801.db2.gz TVZXALVBRUUDPF-UHFFFAOYSA-N 0 0 318.214 3.412 20 10 DGCDRN C[C@H]([NH3+])[C@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000063191306 659370417 /nfs/dbraw/zinc/37/04/17/659370417.db2.gz JOHDIZRBJDHLHW-TVQRCGJNSA-N 0 0 303.233 3.401 20 10 DGCDRN CCCCc1noc(CN(C)c2ccc(OC)c(OC)c2)n1 ZINC000063617280 659400420 /nfs/dbraw/zinc/40/04/20/659400420.db2.gz FWDHWVMDLMEIPH-UHFFFAOYSA-N 0 0 305.378 3.066 20 10 DGCDRN CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)NC(C)(C)CC ZINC000174372630 659429855 /nfs/dbraw/zinc/42/98/55/659429855.db2.gz HQBQRGSWBZLNQY-CQSZACIVSA-N 0 0 306.450 3.298 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccnc(Cl)c1 ZINC000174515864 659437478 /nfs/dbraw/zinc/43/74/78/659437478.db2.gz ZFTSNYMSPXMPDP-UHFFFAOYSA-N 0 0 316.788 3.249 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1nc2ccccc2n1C ZINC000175027134 659915454 /nfs/dbraw/zinc/91/54/54/659915454.db2.gz VNURXJGLBMJODH-UHFFFAOYSA-N 0 0 322.412 3.038 20 10 DGCDRN COCCOCCN(Cc1ccccc1)c1ccc(OC)cc1 ZINC000175575013 659925557 /nfs/dbraw/zinc/92/55/57/659925557.db2.gz TXDKROQZLPCMJR-UHFFFAOYSA-N 0 0 315.413 3.365 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)C[C@@H](C)C3CC3)CC2)cc1 ZINC000068017693 659934748 /nfs/dbraw/zinc/93/47/48/659934748.db2.gz CEFYMWMRTUPXIM-OAHLLOKOSA-N 0 0 316.445 3.170 20 10 DGCDRN Cc1ccc(-c2nc(CC(=O)Nc3ccc(N)cc3)cs2)o1 ZINC000237776406 659941354 /nfs/dbraw/zinc/94/13/54/659941354.db2.gz OLHZJOHTXCVEQD-UHFFFAOYSA-N 0 0 313.382 3.475 20 10 DGCDRN Nc1ccc(CC(=O)N[C@H]2CCSc3ccc(F)cc32)cc1 ZINC000237915341 659948780 /nfs/dbraw/zinc/94/87/80/659948780.db2.gz KGMGBBBQOULDPG-HNNXBMFYSA-N 0 0 316.401 3.304 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@H]2CC23CCCCC3)cc1 ZINC000180031279 659949524 /nfs/dbraw/zinc/94/95/24/659949524.db2.gz UAWPQSHAGWCXIX-INIZCTEOSA-N 0 0 301.434 3.275 20 10 DGCDRN C[C@H](Oc1ccc(F)c(F)c1)C(=O)N(C)Cc1ccccc1O ZINC000068429696 659952567 /nfs/dbraw/zinc/95/25/67/659952567.db2.gz ZWNHAKJPIQWOBP-NSHDSACASA-N 0 0 321.323 3.096 20 10 DGCDRN CCN(Cc1cccs1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180627001 659965899 /nfs/dbraw/zinc/96/58/99/659965899.db2.gz JKJFTMFOMNSNPY-SOFGYWHQSA-N 0 0 303.383 3.221 20 10 DGCDRN COc1ccc(N(C)Cc2cccc(OC)c2OC)cc1F ZINC000180775076 659970384 /nfs/dbraw/zinc/97/03/84/659970384.db2.gz CORDNEDPGJFUAV-UHFFFAOYSA-N 0 0 305.349 3.488 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1nc(C2CC2)cs1 ZINC000180967463 659976648 /nfs/dbraw/zinc/97/66/48/659976648.db2.gz USKYFFKSSFKAQJ-QHHAFSJGSA-N 0 0 302.355 3.084 20 10 DGCDRN CC(C)[C@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000181086642 659979826 /nfs/dbraw/zinc/97/98/26/659979826.db2.gz JLFMGQYSXCUCJM-VFADXPBXSA-N 0 0 303.402 3.396 20 10 DGCDRN C[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)Cc1cccs1 ZINC000181124090 659982645 /nfs/dbraw/zinc/98/26/45/659982645.db2.gz WUFUYOHHJLUMAK-PZBABLGHSA-N 0 0 317.410 3.168 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(-c2ncco2)c1 ZINC000181259192 659989717 /nfs/dbraw/zinc/98/97/17/659989717.db2.gz KGZGAXVFTMQSLF-FNORWQNLSA-N 0 0 322.320 3.405 20 10 DGCDRN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c(O)c1O ZINC000181770556 660019844 /nfs/dbraw/zinc/01/98/44/660019844.db2.gz HPTCTFGPOXDFAI-UHFFFAOYSA-N 0 0 316.313 3.184 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)c(O)c1O ZINC000181856667 660022761 /nfs/dbraw/zinc/02/27/61/660022761.db2.gz KMIHILISWCYCJR-UHFFFAOYSA-N 0 0 309.325 3.049 20 10 DGCDRN Cc1ccc(C(=O)N(C)[C@@H](C)c2ccccc2F)c(O)c1O ZINC000181863487 660023402 /nfs/dbraw/zinc/02/34/02/660023402.db2.gz XNDVDWYPYIHANE-NSHDSACASA-N 0 0 303.333 3.379 20 10 DGCDRN COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(C#N)ccc2F)c1 ZINC000182315256 660042186 /nfs/dbraw/zinc/04/21/86/660042186.db2.gz VBYBSJZUEWSOHN-NSHDSACASA-N 0 0 300.333 3.262 20 10 DGCDRN COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(F)cc2C#N)c1 ZINC000182448042 660053506 /nfs/dbraw/zinc/05/35/06/660053506.db2.gz LTGZORPNZDOSLA-LLVKDONJSA-N 0 0 300.333 3.262 20 10 DGCDRN Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183210233 660104581 /nfs/dbraw/zinc/10/45/81/660104581.db2.gz OTCXQXHCMNGMAN-MRXNPFEDSA-N 0 0 305.324 3.324 20 10 DGCDRN COCCOc1ccc(C#N)cc1NCc1cc(F)ccc1O ZINC000183225193 660105259 /nfs/dbraw/zinc/10/52/59/660105259.db2.gz IWTYCJUGHDKJCP-UHFFFAOYSA-N 0 0 316.332 3.040 20 10 DGCDRN COc1cc(CSc2nccs2)c([N+](=O)[O-])cc1F ZINC000183853683 660143693 /nfs/dbraw/zinc/14/36/93/660143693.db2.gz JNLUEHWXYJNNER-UHFFFAOYSA-N 0 0 300.336 3.491 20 10 DGCDRN CCC[C@](C)(NCc1ccc(N2CCCCC2)cc1)C(=O)OC ZINC000184048051 660153898 /nfs/dbraw/zinc/15/38/98/660153898.db2.gz SJDVTNCCJBGZCS-IBGZPJMESA-N 0 0 318.461 3.498 20 10 DGCDRN C[C@@H](NCC(F)(F)CO)c1ccc(N2CCCCCC2)cc1 ZINC000184708594 660182448 /nfs/dbraw/zinc/18/24/48/660182448.db2.gz LXBBUFQPMIXMBP-CQSZACIVSA-N 0 0 312.404 3.345 20 10 DGCDRN COc1nnc(CN(CC(C)C)c2ccc(OC)cc2)s1 ZINC000929921729 661350359 /nfs/dbraw/zinc/35/03/59/661350359.db2.gz ZCXPFCOGXYVWNH-UHFFFAOYSA-N 0 0 307.419 3.218 20 10 DGCDRN COc1ccc(N(Cc2cnn(CCF)c2)C(C)C)cc1F ZINC000929951286 661353224 /nfs/dbraw/zinc/35/32/24/661353224.db2.gz PXTHJNWKDYCOAT-UHFFFAOYSA-N 0 0 309.360 3.415 20 10 DGCDRN O=C(Nc1ccc2c(c1)CCCO2)N1Cc2cccc(O)c2C1 ZINC000930107305 661366939 /nfs/dbraw/zinc/36/69/39/661366939.db2.gz YBHYOKVIHZVJRK-UHFFFAOYSA-N 0 0 310.353 3.265 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cnn(C2CCC2)c1 ZINC000930205880 661377879 /nfs/dbraw/zinc/37/78/79/661377879.db2.gz PMJMZAVQPQPYKD-UHFFFAOYSA-N 0 0 324.428 3.138 20 10 DGCDRN C[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)c1cccc(O)c1 ZINC000930206357 661378028 /nfs/dbraw/zinc/37/80/28/661378028.db2.gz VTMYCMQJZKXJEP-HNNXBMFYSA-N 0 0 324.424 3.412 20 10 DGCDRN Cc1c(NC(=O)NCc2c(O)cccc2F)cnn1CC(C)C ZINC000930612697 661415645 /nfs/dbraw/zinc/41/56/45/661415645.db2.gz VWQWXEHSGMPHTJ-UHFFFAOYSA-N 0 0 320.368 3.014 20 10 DGCDRN CC(C)(C)[C@H](NC(=O)NCc1c(O)cccc1F)C(F)(F)F ZINC000930905304 661438387 /nfs/dbraw/zinc/43/83/87/661438387.db2.gz RBGNTEKPYDEGDS-NSHDSACASA-N 0 0 322.302 3.308 20 10 DGCDRN CCCCN(CC)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000931279482 661463600 /nfs/dbraw/zinc/46/36/00/661463600.db2.gz DCTMCHISIWKYRE-CSKARUKUSA-N 0 0 306.362 3.407 20 10 DGCDRN CC[C@@H]1CCC[C@@H](NC(=O)NCc2cccc(OC)c2O)C1 ZINC000074416089 661590033 /nfs/dbraw/zinc/59/00/33/661590033.db2.gz BDSHPYJJQOLSOS-TZMCWYRMSA-N 0 0 306.406 3.169 20 10 DGCDRN C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)NCCCSc1nccs1 ZINC000932682347 661590533 /nfs/dbraw/zinc/59/05/33/661590533.db2.gz DBXDZYFPDNKLLI-LPWJVIDDSA-N 0 0 310.488 3.424 20 10 DGCDRN O=C(NCCCSc1nccs1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000932683881 661591045 /nfs/dbraw/zinc/59/10/45/661591045.db2.gz QXKMHAQIHYXUNY-NJZULAAPSA-N 0 0 308.472 3.034 20 10 DGCDRN O=C(NCc1ccccc1O)NC1(C(F)(F)F)CCCCC1 ZINC000933428155 661633940 /nfs/dbraw/zinc/63/39/40/661633940.db2.gz KDCFSAQDOUGEPZ-UHFFFAOYSA-N 0 0 316.323 3.457 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1cnc(F)c(F)c1 ZINC000934402527 661704556 /nfs/dbraw/zinc/70/45/56/661704556.db2.gz BMCXDHVXLWJIBS-UHFFFAOYSA-N 0 0 320.343 3.056 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)C1(CCc2ccccc2)CC1 ZINC000934943312 661750453 /nfs/dbraw/zinc/75/04/53/661750453.db2.gz HOTOAZHGJVFWFU-UHFFFAOYSA-N 0 0 311.381 3.127 20 10 DGCDRN C[C@@H](NC(=O)c1ccnn1C1CCC1)c1ccc(N(C)C)cc1 ZINC000935462750 661787808 /nfs/dbraw/zinc/78/78/08/661787808.db2.gz FUBPCRXBEPVFFX-CYBMUJFWSA-N 0 0 312.417 3.165 20 10 DGCDRN C[C@@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1cccc(O)c1 ZINC000935465834 661788368 /nfs/dbraw/zinc/78/83/68/661788368.db2.gz UFANMQWCVMZQRC-KGLIPLIRSA-N 0 0 312.413 3.439 20 10 DGCDRN O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(Cl)cc1 ZINC000041374101 661833964 /nfs/dbraw/zinc/83/39/64/661833964.db2.gz HKNYTWCJUWKLHR-UHFFFAOYSA-N 0 0 316.788 3.429 20 10 DGCDRN COc1ccc(Cl)cc1NCc1cc2c(cc1O)OCO2 ZINC000042879197 661842379 /nfs/dbraw/zinc/84/23/79/661842379.db2.gz CZGXERLGPWDKHJ-UHFFFAOYSA-N 0 0 307.733 3.395 20 10 DGCDRN COc1cccc(CNC(=O)c2c(C)[nH]c3ccccc32)c1O ZINC000155427286 661846722 /nfs/dbraw/zinc/84/67/22/661846722.db2.gz MQWVYVJFTKGRFW-UHFFFAOYSA-N 0 0 310.353 3.121 20 10 DGCDRN COc1cccc(CNC(=O)C2C3CC4CC(C3)CC2C4)c1O ZINC000155477878 661847750 /nfs/dbraw/zinc/84/77/50/661847750.db2.gz KVCIJDIJPRLKPF-UHFFFAOYSA-N 0 0 315.413 3.089 20 10 DGCDRN CCOc1ccc(N(C)C[C@H](O)COCc2cccs2)cc1 ZINC000157305460 661867030 /nfs/dbraw/zinc/86/70/30/661867030.db2.gz NUZGYWNCNAELSM-HNNXBMFYSA-N 0 0 321.442 3.161 20 10 DGCDRN CCc1nc(C(=O)NCc2ccc(N(CC)CC)c(F)c2)co1 ZINC000157860069 661869317 /nfs/dbraw/zinc/86/93/17/661869317.db2.gz TWYWXPASUPQNTB-UHFFFAOYSA-N 0 0 319.380 3.152 20 10 DGCDRN CC[C@H](OC1CCCCC1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000159018792 661881409 /nfs/dbraw/zinc/88/14/09/661881409.db2.gz CZCWJQDQNRXDDA-SFHVURJKSA-N 0 0 318.461 3.497 20 10 DGCDRN O=C(CSc1ccccc1Cl)NCc1ccc(O)c(O)c1 ZINC000159071352 661882126 /nfs/dbraw/zinc/88/21/26/661882126.db2.gz HGVMHIBPBNPRIL-UHFFFAOYSA-N 0 0 323.801 3.160 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)C1(c2cccc(Cl)c2)CC1 ZINC000159089028 661882653 /nfs/dbraw/zinc/88/26/53/661882653.db2.gz YAEWYUCPLJBDMY-UHFFFAOYSA-N 0 0 317.772 3.099 20 10 DGCDRN C[C@H](CC(=O)NCc1ccc(O)c(O)c1)c1cccc(F)c1 ZINC000159143407 661883500 /nfs/dbraw/zinc/88/35/00/661883500.db2.gz PVRARITVWCEPKC-LLVKDONJSA-N 0 0 303.333 3.047 20 10 DGCDRN CCOC(C)(C)C[NH2+]Cc1cccc(Br)c1[O-] ZINC000159221255 661884285 /nfs/dbraw/zinc/88/42/85/661884285.db2.gz MNTVHSHOZICQSP-UHFFFAOYSA-N 0 0 302.212 3.059 20 10 DGCDRN O=C(Nc1cccc(N2CCCC2)c1)c1ccc2[nH]cnc2c1 ZINC000048383143 661889663 /nfs/dbraw/zinc/88/96/63/661889663.db2.gz OSZXTFCMJGDLMS-UHFFFAOYSA-N 0 0 306.369 3.415 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(F)c(OC)c2)c1 ZINC000159723622 661894282 /nfs/dbraw/zinc/89/42/82/661894282.db2.gz DMPYDPPFCBAEOC-JTQLQIEISA-N 0 0 319.332 3.040 20 10 DGCDRN O=C(Cc1cccc(F)c1)NCc1c(O)ccc2c1CCCC2 ZINC000075160131 661918276 /nfs/dbraw/zinc/91/82/76/661918276.db2.gz SBJDMALIXJSZBI-UHFFFAOYSA-N 0 0 313.372 3.269 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cnns1 ZINC000188243519 661922060 /nfs/dbraw/zinc/92/20/60/661922060.db2.gz IGLAVRJKIVKIKO-UHFFFAOYSA-N 0 0 304.400 3.259 20 10 DGCDRN C[C@@H]1CN(CCSc2ncc(C(C)(C)C)s2)CCO1 ZINC000188325364 661926010 /nfs/dbraw/zinc/92/60/10/661926010.db2.gz UZMKRKLBWOZNGX-LLVKDONJSA-N 0 0 300.493 3.253 20 10 DGCDRN CC(C)N(C)c1cccc(NC(=O)c2cccc(O)c2O)c1 ZINC000188458460 661932074 /nfs/dbraw/zinc/93/20/74/661932074.db2.gz APWPQFLRSVPTDW-UHFFFAOYSA-N 0 0 300.358 3.195 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H](C)C[C@H](C)O)cc1 ZINC000077118207 662015871 /nfs/dbraw/zinc/01/58/71/662015871.db2.gz LYFPPNSYINJGGI-BBRMVZONSA-N 0 0 314.429 3.231 20 10 DGCDRN CN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cc(F)ccc1O ZINC000077472341 662028069 /nfs/dbraw/zinc/02/80/69/662028069.db2.gz KPBDALOVJIRCOF-CQSZACIVSA-N 0 0 306.724 3.381 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCCC2(C)C)c1 ZINC000078366023 662061851 /nfs/dbraw/zinc/06/18/51/662061851.db2.gz CVQWCWZLKKNJSU-IAQYHMDHSA-N 0 0 306.406 3.340 20 10 DGCDRN CC(C)Oc1ccc([C@H](C)NC(=O)c2cccc(O)c2O)cc1 ZINC000192975750 662118650 /nfs/dbraw/zinc/11/86/50/662118650.db2.gz AVPOMQKEUWYTOD-LBPRGKRZSA-N 0 0 315.369 3.376 20 10 DGCDRN CC(C)n1ncc2ccc(NC(=O)c3cccc(O)c3O)cc21 ZINC000192992974 662119818 /nfs/dbraw/zinc/11/98/18/662119818.db2.gz DGEKINKEBGHIOV-UHFFFAOYSA-N 0 0 311.341 3.281 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2occc2Br)cc1 ZINC000080944349 662156672 /nfs/dbraw/zinc/15/66/72/662156672.db2.gz DQZFOIRSEAIXME-UHFFFAOYSA-N 0 0 323.190 3.038 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(=O)n(C)c2)cc1 ZINC000194401891 662164844 /nfs/dbraw/zinc/16/48/44/662164844.db2.gz AEGGSSXZKHBQSN-UHFFFAOYSA-N 0 0 321.380 3.045 20 10 DGCDRN COc1ccccc1CN(C)Cc1cc(F)cc(C(C)=O)c1O ZINC000194805036 662173784 /nfs/dbraw/zinc/17/37/84/662173784.db2.gz HAJIQRMVNDKJJQ-UHFFFAOYSA-N 0 0 317.360 3.375 20 10 DGCDRN CC(C)C[C@H](C)OCCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000087209983 662224348 /nfs/dbraw/zinc/22/43/48/662224348.db2.gz IDWFSBFHJZYZOJ-AWEZNQCLSA-N 0 0 324.440 3.349 20 10 DGCDRN Cc1ccc([C@H](C)NCc2n[nH]cc2Br)c(O)c1 ZINC000718127174 662229981 /nfs/dbraw/zinc/22/99/81/662229981.db2.gz VCBPAFIGHRZOCQ-VIFPVBQESA-N 0 0 310.195 3.037 20 10 DGCDRN CCOc1ccccc1NC[C@H](O)COCc1cccs1 ZINC000037874950 662260596 /nfs/dbraw/zinc/26/05/96/662260596.db2.gz CAVITEPASRDMDG-ZDUSSCGKSA-N 0 0 307.415 3.136 20 10 DGCDRN CCOC(=O)c1ccc(CN(C)c2ccc(OC)c(F)c2)o1 ZINC000091591505 662309273 /nfs/dbraw/zinc/30/92/73/662309273.db2.gz ZCCWWJPXKDERIF-UHFFFAOYSA-N 0 0 307.321 3.240 20 10 DGCDRN CCN(CC)c1ccc(CN(CCCO)CC(F)(F)F)cc1 ZINC000093044849 662343626 /nfs/dbraw/zinc/34/36/26/662343626.db2.gz DCBPXSVNPVTHIX-UHFFFAOYSA-N 0 0 318.383 3.280 20 10 DGCDRN CCC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000140937163 685078680 /nfs/dbraw/zinc/07/86/80/685078680.db2.gz OVCSTCYMUPMGNK-CABCVRRESA-N 0 0 319.449 3.072 20 10 DGCDRN C[C@H](NC(=O)c1ccsc1)c1ccc(N2CCOCC2)cc1 ZINC000145564416 685086843 /nfs/dbraw/zinc/08/68/43/685086843.db2.gz FCMQMFSBXLCFQU-ZDUSSCGKSA-N 0 0 316.426 3.076 20 10 DGCDRN O=C1NCCN1c1cccc(NCc2c(O)cccc2Cl)c1 ZINC000378895148 685146435 /nfs/dbraw/zinc/14/64/35/685146435.db2.gz UITMJJTZSDTNBR-UHFFFAOYSA-N 0 0 317.776 3.187 20 10 DGCDRN CC[C@H](C)[C@@H](C[NH2+]Cc1cc(Br)ccc1O)OC ZINC000381108876 685155061 /nfs/dbraw/zinc/15/50/61/685155061.db2.gz BROLTOHIIKVSPT-IINYFYTJSA-N 0 0 316.239 3.305 20 10 DGCDRN O=C(NCc1ccccc1C(F)(F)F)c1cccc(O)c1O ZINC000388417476 685188821 /nfs/dbraw/zinc/18/88/21/685188821.db2.gz PRLAXSPUSWXUJQ-UHFFFAOYSA-N 0 0 311.259 3.047 20 10 DGCDRN Cc1ccc([C@@H](C)Nc2cccc(N3CCNC3=O)c2)c(O)c1 ZINC000390313906 685200472 /nfs/dbraw/zinc/20/04/72/685200472.db2.gz OFKVNQYFCUJEKD-CYBMUJFWSA-N 0 0 311.385 3.403 20 10 DGCDRN Cc1cc(C)cc(C[C@H](C)NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001620500672 1191952312 /nfs/dbraw/zinc/95/23/12/1191952312.db2.gz MCWPOJVGTZWXSS-AWEZNQCLSA-N 0 0 313.397 3.005 20 10 DGCDRN COc1ccc(Cn2ccc(NCc3ccc(N)cc3)n2)cc1 ZINC001579223053 1191969307 /nfs/dbraw/zinc/96/93/07/1191969307.db2.gz VLFUKKQFTUIRLS-UHFFFAOYSA-N 0 0 308.385 3.134 20 10 DGCDRN Nc1ccc(F)c(NC(=O)NCc2cccc(Cl)c2O)c1 ZINC001580447544 1192027414 /nfs/dbraw/zinc/02/74/14/1192027414.db2.gz DQQJBWKVNGDXDJ-UHFFFAOYSA-N 0 0 309.728 3.089 20 10 DGCDRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001583966288 1192170209 /nfs/dbraw/zinc/17/02/09/1192170209.db2.gz JMOVFQFVOWTXSX-KBMXLJTQSA-N 0 0 319.445 3.465 20 10 DGCDRN Cc1cc(C(=O)Nn2cccn2)c(C)n1-c1ccc(Cl)cc1 ZINC001584514595 1192201161 /nfs/dbraw/zinc/20/11/61/1192201161.db2.gz QYGZLUHLQOQSDC-UHFFFAOYSA-N 0 0 314.776 3.328 20 10 DGCDRN CCN(C(=O)/C=C(/C)c1cnccn1)c1ccc2[nH]ccc2c1 ZINC001585233398 1192250687 /nfs/dbraw/zinc/25/06/87/1192250687.db2.gz BJRJIRGXJZXQFJ-RAXLEYEMSA-N 0 0 306.369 3.414 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)C[C@H]2CCC[C@@H]2C)cc1 ZINC001585450347 1192261768 /nfs/dbraw/zinc/26/17/68/1192261768.db2.gz UEXIPNKCMYLVAH-JKSUJKDBSA-N 0 0 318.461 3.416 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cc(Cl)c(F)cc2N)cc1 ZINC001587316537 1192392105 /nfs/dbraw/zinc/39/21/05/1192392105.db2.gz JLUBDGOPIOAWQU-UHFFFAOYSA-N 0 0 321.783 3.057 20 10 DGCDRN C[C@@H](NC(=O)Cc1cccc2cnccc21)c1ccccc1O ZINC001587447157 1192399937 /nfs/dbraw/zinc/39/99/37/1192399937.db2.gz KOTDFJNSHBGYCO-CYBMUJFWSA-N 0 0 306.365 3.360 20 10 DGCDRN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC001587460244 1192401359 /nfs/dbraw/zinc/40/13/59/1192401359.db2.gz RNKISBNMJPIIKM-FHLIZLRMSA-N 0 0 318.461 3.162 20 10 DGCDRN CCCCC[C@@H](O)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001587551962 1192405986 /nfs/dbraw/zinc/40/59/86/1192405986.db2.gz JLGBPXBPHMAWJQ-GOSISDBHSA-N 0 0 318.461 3.186 20 10 DGCDRN O=C(Cc1cncc2ccccc21)N1Cc2cccc(O)c2C1 ZINC001587928864 1192425369 /nfs/dbraw/zinc/42/53/69/1192425369.db2.gz UMCIOOLVZBRPNQ-UHFFFAOYSA-N 0 0 304.349 3.025 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1c(N)ccc(F)c1C ZINC001588184038 1192437016 /nfs/dbraw/zinc/43/70/16/1192437016.db2.gz RVTDRIIOBPCUES-UHFFFAOYSA-N 0 0 316.376 3.474 20 10 DGCDRN C[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001620857488 1192466396 /nfs/dbraw/zinc/46/63/96/1192466396.db2.gz OPDXZQRCKXBTCN-GFCCVEGCSA-N 0 0 322.368 3.436 20 10 DGCDRN COc1ccc(N(C)Cc2c(C)cc(-c3nn[nH]n3)cc2C)cc1 ZINC001591606413 1192567272 /nfs/dbraw/zinc/56/72/72/1192567272.db2.gz CWDMZYCILJZMJA-UHFFFAOYSA-N 0 0 323.400 3.129 20 10 DGCDRN C[C@H](C(=O)NCc1cc(O)ccc1O)c1cccc(Cl)c1 ZINC001593873235 1192640919 /nfs/dbraw/zinc/64/09/19/1192640919.db2.gz MOODCABQXZPTGY-JTQLQIEISA-N 0 0 305.761 3.171 20 10 DGCDRN CO[C@H](C(=O)NCc1cc(C)n(-c2ccccc2)c1C)C(C)C ZINC001596481308 1192694098 /nfs/dbraw/zinc/69/40/98/1192694098.db2.gz BHEGRPSCOJGQNL-SFHVURJKSA-N 0 0 314.429 3.381 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(C)cc2O)cc1 ZINC001596578713 1192697565 /nfs/dbraw/zinc/69/75/65/1192697565.db2.gz MHXVVDQMGRSNFZ-UHFFFAOYSA-N 0 0 312.413 3.477 20 10 DGCDRN C/C(=C\C(=O)NCc1c(O)cccc1F)c1ccc(F)cc1 ZINC001596913450 1192711153 /nfs/dbraw/zinc/71/11/53/1192711153.db2.gz YWFLCLSVIDDAPV-PKNBQFBNSA-N 0 0 303.308 3.390 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H]1COC[C@H]1C ZINC001597046179 1192716818 /nfs/dbraw/zinc/71/68/18/1192716818.db2.gz XYUOVKOVZRDNIM-DYVFJYSZSA-N 0 0 312.413 3.167 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2nc(-c3ccccc3)no2)c1 ZINC001670487850 1176149701 /nfs/dbraw/zinc/14/97/01/1176149701.db2.gz ARMUPZFCDKLPOE-UHFFFAOYSA-N 0 0 324.340 3.072 20 10 DGCDRN COc1ccc2c(c1)CCN2C(=O)c1ccccc1-c1cn[nH]c1 ZINC001597819681 1192749595 /nfs/dbraw/zinc/74/95/95/1192749595.db2.gz OXAFHOQSTPKHRZ-UHFFFAOYSA-N 0 0 319.364 3.288 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cc(C2CC2)n[nH]1 ZINC001597737574 1192744649 /nfs/dbraw/zinc/74/46/49/1192744649.db2.gz ZYYIQKWJTGKOAI-UHFFFAOYSA-N 0 0 307.353 3.076 20 10 DGCDRN Cc1cc(C[NH2+]Cc2cc(Cl)ccc2O)ccc1C(=O)[O-] ZINC001600209404 1192808607 /nfs/dbraw/zinc/80/86/07/1192808607.db2.gz LRNPEEGHKCMDJM-UHFFFAOYSA-N 0 0 305.761 3.342 20 10 DGCDRN Cc1cc(O)c(C[NH2+][C@H](C(=O)[O-])c2ccc(F)c(C)c2)cc1C ZINC001600286584 1192827470 /nfs/dbraw/zinc/82/74/70/1192827470.db2.gz QWKRMHHWOHCBJS-KRWDZBQOSA-N 0 0 317.360 3.372 20 10 DGCDRN Cc1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)c(F)c1F ZINC001179689412 1177804210 /nfs/dbraw/zinc/80/42/10/1177804210.db2.gz ONEWJMDNAQNJTD-QPJJXVBHSA-N 0 0 319.307 3.014 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccccc1C1CC1 ZINC001179689344 1177804875 /nfs/dbraw/zinc/80/48/75/1177804875.db2.gz LTIXCCOZVVBLHJ-UXBLZVDNSA-N 0 0 309.365 3.305 20 10 DGCDRN c1cnc(C2(NCc3ccc(N4CCCC4)cc3)CCC2)nc1 ZINC001331257603 1178167402 /nfs/dbraw/zinc/16/74/02/1178167402.db2.gz NDWFJAUVVZIGAX-UHFFFAOYSA-N 0 0 308.429 3.246 20 10 DGCDRN Oc1ccc2ccncc2c1C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC001331493449 1178226914 /nfs/dbraw/zinc/22/69/14/1178226914.db2.gz UAXNIVGTVWJPAX-ZDUSSCGKSA-N 0 0 311.410 3.386 20 10 DGCDRN COc1ccc(F)cc1CNCc1cc(F)c(N(C)C)cc1F ZINC001331511024 1178231529 /nfs/dbraw/zinc/23/15/29/1178231529.db2.gz OQGDHOXLELGIBM-UHFFFAOYSA-N 0 0 324.346 3.468 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H]2CC[C@H]2C)cc1 ZINC001331730037 1178274828 /nfs/dbraw/zinc/27/48/28/1178274828.db2.gz IHAJKSDPJGJLHN-BFUOFWGJSA-N 0 0 324.424 3.364 20 10 DGCDRN CC(C)(NC(=O)c1cc2cc(O)c(O)cc2s1)C(F)(F)F ZINC001332135643 1178366402 /nfs/dbraw/zinc/36/64/02/1178366402.db2.gz KKBGZBUSGHEQPO-UHFFFAOYSA-N 0 0 319.304 3.383 20 10 DGCDRN CCn1nc(C(C)C)cc1C(=O)N[C@H](C)c1ccccc1O ZINC001332382017 1178432036 /nfs/dbraw/zinc/43/20/36/1178432036.db2.gz VTVMIURNOXZPAL-GFCCVEGCSA-N 0 0 301.390 3.223 20 10 DGCDRN CC1(C)CO[C@@H](CC(=O)Nc2c3nonc3ccc2Cl)C1 ZINC001332439590 1178447883 /nfs/dbraw/zinc/44/78/83/1178447883.db2.gz XFGAQHOTLXUYMJ-QMMMGPOBSA-N 0 0 309.753 3.020 20 10 DGCDRN CC1(NC(=O)NCc2ccc(N3CC=CC3)cc2)CC(F)(F)C1 ZINC001332957191 1178529289 /nfs/dbraw/zinc/52/92/89/1178529289.db2.gz LPNQVOHLNQDDJK-UHFFFAOYSA-N 0 0 321.371 3.050 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC(C)(C)C(F)(F)F ZINC001333507699 1178616190 /nfs/dbraw/zinc/61/61/90/1178616190.db2.gz LECKIZLLOXNABP-UHFFFAOYSA-N 0 0 317.355 3.201 20 10 DGCDRN CCN(CC)c1ccc(CNc2ccnc(COC)n2)cc1 ZINC001333640945 1178644289 /nfs/dbraw/zinc/64/42/89/1178644289.db2.gz MEMURUHDKQUJEN-UHFFFAOYSA-N 0 0 300.406 3.081 20 10 DGCDRN COc1ccc(CNc2ccc(N(C)C)cc2C)c(O)c1OC ZINC001334916721 1178827180 /nfs/dbraw/zinc/82/71/80/1178827180.db2.gz BRQDEKKAEGOVRG-UHFFFAOYSA-N 0 0 316.401 3.396 20 10 DGCDRN Cc1ccc(CCCNC(=O)NCc2ccc(N)cc2)c(C)c1 ZINC001335677832 1178941661 /nfs/dbraw/zinc/94/16/61/1178941661.db2.gz RYCMWWYYWVINJF-UHFFFAOYSA-N 0 0 311.429 3.318 20 10 DGCDRN Nc1ccc(CNC(=O)N2CCC(c3ccccc3)CC2)cc1 ZINC001335731753 1178945772 /nfs/dbraw/zinc/94/57/72/1178945772.db2.gz VCWKYOHBFPRUKP-UHFFFAOYSA-N 0 0 309.413 3.358 20 10 DGCDRN CO[C@H]1CCC[C@@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001335890322 1178967865 /nfs/dbraw/zinc/96/78/65/1178967865.db2.gz XANLVTMOMXTNGZ-ROUUACIJSA-N 0 0 316.445 3.108 20 10 DGCDRN O=C(NCCCc1ccsc1)NCc1c(O)cccc1F ZINC001341742459 1179055508 /nfs/dbraw/zinc/05/55/08/1179055508.db2.gz GOVOKGYDAUMOHC-UHFFFAOYSA-N 0 0 308.378 3.025 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1CCC[C@@H](C)CC1 ZINC001342567204 1179155014 /nfs/dbraw/zinc/15/50/14/1179155014.db2.gz DIAXXHXEGGAWLY-LLVKDONJSA-N 0 0 306.435 3.359 20 10 DGCDRN COc1cc(F)cc(NCc2ccc(OC)c(OC)c2O)c1 ZINC001342879139 1179201617 /nfs/dbraw/zinc/20/16/17/1179201617.db2.gz DRVAKCWTUWVMCO-UHFFFAOYSA-N 0 0 307.321 3.169 20 10 DGCDRN C[C@H](NC(=O)CCNc1ccccc1)c1ccc(N(C)C)cc1 ZINC001342932397 1179213162 /nfs/dbraw/zinc/21/31/62/1179213162.db2.gz ROZCKBLKDMGVBB-HNNXBMFYSA-N 0 0 311.429 3.432 20 10 DGCDRN CO[C@@H]1CCC[C@H](CC(=O)Nc2c3nonc3ccc2Cl)C1 ZINC001342953725 1179215235 /nfs/dbraw/zinc/21/52/35/1179215235.db2.gz ZITHKAWSDVIPQV-VHSXEESVSA-N 0 0 323.780 3.410 20 10 DGCDRN COc1ccccc1C1(C(=O)NCc2ccc(N)cc2)CCC1 ZINC001343473942 1179281790 /nfs/dbraw/zinc/28/17/90/1179281790.db2.gz SNTUTVAYBVPOSK-UHFFFAOYSA-N 0 0 310.397 3.016 20 10 DGCDRN O=C([O-])C[N@@H+](CCc1ccccc1)Cc1ccc(Cl)cc1O ZINC001602056633 1192957083 /nfs/dbraw/zinc/95/70/83/1192957083.db2.gz BHBZGUMJMVYZDK-UHFFFAOYSA-N 0 0 319.788 3.175 20 10 DGCDRN Nc1ccc(CNC(=O)N[C@@H](Cc2ccccc2)C2CC2)cc1 ZINC001346340731 1179686614 /nfs/dbraw/zinc/68/66/14/1179686614.db2.gz TWZARMBUGOOJPL-SFHVURJKSA-N 0 0 309.413 3.089 20 10 DGCDRN CN(Cc1ccccc1O)c1nnc(C2CC=CC2)n1CC1CC1 ZINC001346554513 1179719862 /nfs/dbraw/zinc/71/98/62/1179719862.db2.gz QVDPEEVXLMITQR-UHFFFAOYSA-N 0 0 324.428 3.464 20 10 DGCDRN C[C@@]1(CCNC(=O)NCc2ccc(N)cc2)CC1(Cl)Cl ZINC001346649813 1179729606 /nfs/dbraw/zinc/72/96/06/1179729606.db2.gz VAVLTALPIAABQB-CYBMUJFWSA-N 0 0 316.232 3.042 20 10 DGCDRN Nc1ccc(CNC(=O)N2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC001346738602 1179741181 /nfs/dbraw/zinc/74/11/81/1179741181.db2.gz IIQLNWSWAMZKAS-KRWDZBQOSA-N 0 0 309.413 3.043 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1ccc(O)cc1C ZINC001347014583 1179768732 /nfs/dbraw/zinc/76/87/32/1179768732.db2.gz JTXJNAKFBAGZJO-UHFFFAOYSA-N 0 0 313.397 3.388 20 10 DGCDRN O=C(NCc1cccc(O)c1O)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001347234915 1179786123 /nfs/dbraw/zinc/78/61/23/1179786123.db2.gz RXEOMUFWMXYMRX-CVEARBPZSA-N 0 0 311.381 3.298 20 10 DGCDRN CC[C@@H](C)n1nccc1C(=O)Nc1c2nonc2ccc1Cl ZINC001349605901 1179921555 /nfs/dbraw/zinc/92/15/55/1179921555.db2.gz QXBOMADCNMGVJJ-MRVPVSSYSA-N 0 0 319.752 3.296 20 10 DGCDRN C[C@@H]1CCc2sc(C(=O)NCc3cccc(O)c3O)cc2C1 ZINC001350300206 1180048486 /nfs/dbraw/zinc/04/84/86/1180048486.db2.gz OAZSOEFZQGUSNA-SNVBAGLBSA-N 0 0 317.410 3.214 20 10 DGCDRN CC(C)(CC[N@H+](Cc1ccco1)Cc1ccccc1O)C(=O)[O-] ZINC001603598899 1193023073 /nfs/dbraw/zinc/02/30/73/1193023073.db2.gz XZSOEZUQPHJDTE-UHFFFAOYSA-N 0 0 317.385 3.488 20 10 DGCDRN CO[C@@H](CC(C)C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001352615655 1180369688 /nfs/dbraw/zinc/36/96/88/1180369688.db2.gz RVTUAOVBJHQLBS-SFHVURJKSA-N 0 0 318.461 3.306 20 10 DGCDRN Nc1ccc(CNC(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC001353261970 1180512589 /nfs/dbraw/zinc/51/25/89/1180512589.db2.gz TYIWJHRFWWPVRA-BFYDXBDKSA-N 0 0 301.434 3.427 20 10 DGCDRN CCOc1ccnc(CNC(=S)Nc2cc(F)cc(F)c2)c1 ZINC001200684163 1180817928 /nfs/dbraw/zinc/81/79/28/1180817928.db2.gz UHYKCVSYRCXGCB-UHFFFAOYSA-N 0 0 323.368 3.245 20 10 DGCDRN Fc1ccc(NC(=S)NCc2ncccc2Cl)cc1F ZINC001200702365 1180837501 /nfs/dbraw/zinc/83/75/01/1180837501.db2.gz MOWPGUMWHZRFLG-UHFFFAOYSA-N 0 0 313.760 3.500 20 10 DGCDRN CC[C@H](O)CCC[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC001200724073 1180855677 /nfs/dbraw/zinc/85/56/77/1180855677.db2.gz QNOARLRYSUMPAJ-LBPRGKRZSA-N 0 0 316.239 3.104 20 10 DGCDRN C[C@](C[NH2+]Cc1c(O)cccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001604185788 1193059332 /nfs/dbraw/zinc/05/93/32/1193059332.db2.gz SONPDZQJQOZXIM-QGZVFWFLSA-N 0 0 319.788 3.178 20 10 DGCDRN S=C(NCc1cc(OC2CCC2)ccn1)Nc1ccccc1 ZINC001200849714 1180969100 /nfs/dbraw/zinc/96/91/00/1180969100.db2.gz XUKFSPNRGRMVPZ-UHFFFAOYSA-N 0 0 313.426 3.500 20 10 DGCDRN C[C@@H]([NH2+]CC1(c2ccccc2)CC1)c1cc(C(=O)[O-])ccc1O ZINC001604337204 1193065959 /nfs/dbraw/zinc/06/59/59/1193065959.db2.gz LUNBTBUDUIRSNL-CYBMUJFWSA-N 0 0 311.381 3.473 20 10 DGCDRN COC(=O)c1nc(N[C@H](C)c2ccc(N(C)C)cc2)ccc1C ZINC001355275108 1181025383 /nfs/dbraw/zinc/02/53/83/1181025383.db2.gz RUJVAJFJBXOQSW-CYBMUJFWSA-N 0 0 313.401 3.416 20 10 DGCDRN C/C(=C\C(=O)N1CCCc2cc(F)cc(F)c21)c1cnccn1 ZINC001355668192 1181084065 /nfs/dbraw/zinc/08/40/65/1181084065.db2.gz DSVOEEOQXWFXEH-YRNVUSSQSA-N 0 0 315.323 3.138 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cccc3c2OCC3)cc1 ZINC001355912710 1181112479 /nfs/dbraw/zinc/11/24/79/1181112479.db2.gz YNGODOODLYNKAG-UHFFFAOYSA-N 0 0 324.424 3.398 20 10 DGCDRN COc1ccc(N(C)Cc2cccnc2Br)cc1 ZINC001474612940 1181594437 /nfs/dbraw/zinc/59/44/37/1181594437.db2.gz BTUUHBMVKPWLDT-UHFFFAOYSA-N 0 0 307.191 3.489 20 10 DGCDRN C/C(=C\c1cccnc1)C(=O)N1C[C@H](C)C(=O)Nc2ccccc21 ZINC001360533735 1181625604 /nfs/dbraw/zinc/62/56/04/1181625604.db2.gz JFCWAOHUTXCKDC-UELRPHRMSA-N 0 0 321.380 3.106 20 10 DGCDRN COc1ncc(/C=C/C(=O)N2CCCc3ccc(C)c(C)c32)cn1 ZINC001436809664 1181911398 /nfs/dbraw/zinc/91/13/98/1181911398.db2.gz CDLSFIZRKRXJJE-VQHVLOKHSA-N 0 0 323.396 3.095 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)/C=C\c1ccco1 ZINC001436857690 1181912905 /nfs/dbraw/zinc/91/29/05/1181912905.db2.gz VCZUBGXGMJCHOF-FJVVXJACSA-N 0 0 312.413 3.415 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)C[C@@H]2CC=CCC2)cc1 ZINC001437378538 1181932293 /nfs/dbraw/zinc/93/22/93/1181932293.db2.gz GYUWCVRLDIGWAC-MRXNPFEDSA-N 0 0 316.445 3.336 20 10 DGCDRN Cc1cc(CCNC(=O)[C@H]2C[C@@H]2F)c(C)n1-c1ccccc1 ZINC001438176279 1181961850 /nfs/dbraw/zinc/96/18/50/1181961850.db2.gz DOOHLKMUNZXHHR-IRXDYDNUSA-N 0 0 300.377 3.111 20 10 DGCDRN CCCOc1ccccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001440899507 1182051980 /nfs/dbraw/zinc/05/19/80/1182051980.db2.gz QNRONWPNPIVNHX-UHFFFAOYSA-N 0 0 301.342 3.068 20 10 DGCDRN CCC[N@H+](Cc1cc(C)c(C(=O)[O-])o1)Cc1ccccc1O ZINC001605317796 1193143239 /nfs/dbraw/zinc/14/32/39/1193143239.db2.gz SEKGSDXGJGTJQG-UHFFFAOYSA-N 0 0 303.358 3.404 20 10 DGCDRN COc1cccc(CNC(=O)c2cc(F)cc3ccoc32)c1O ZINC001445972592 1182158548 /nfs/dbraw/zinc/15/85/48/1182158548.db2.gz ZEWYBPGARJPYGW-UHFFFAOYSA-N 0 0 315.300 3.216 20 10 DGCDRN Cc1oc2ccccc2c1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001447359762 1182187508 /nfs/dbraw/zinc/18/75/08/1182187508.db2.gz PLNUTXNKQVMFKY-UHFFFAOYSA-N 0 0 311.337 3.011 20 10 DGCDRN CCN(C(=O)Cc1ccc(O)c(O)c1)[C@@H](C)Cc1ccsc1 ZINC001448124451 1182202470 /nfs/dbraw/zinc/20/24/70/1182202470.db2.gz QHZCHIBUSMLCTA-LBPRGKRZSA-N 0 0 319.426 3.182 20 10 DGCDRN CCC[N@H+](CCN1CCCC1)Cc1cc(Cl)c(F)cc1[O-] ZINC001621325222 1193149160 /nfs/dbraw/zinc/14/91/60/1193149160.db2.gz KCPDKDLTGCGVDN-UHFFFAOYSA-N 0 0 314.832 3.493 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]Cc2cc(C(=O)[O-])oc2C)cc1 ZINC001605435901 1193151096 /nfs/dbraw/zinc/15/10/96/1193151096.db2.gz SQYAFRYWDPPSCB-UHFFFAOYSA-N 0 0 316.401 3.422 20 10 DGCDRN C[C@H]1Cc2cccc(C(=O)NCc3cc(Cl)ccc3O)c2O1 ZINC001452935883 1182305220 /nfs/dbraw/zinc/30/52/20/1182305220.db2.gz MQHQQZRVRHMVHI-JTQLQIEISA-N 0 0 317.772 3.299 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](C2CCCCC2)C1 ZINC001452956301 1182305560 /nfs/dbraw/zinc/30/55/60/1182305560.db2.gz QOYMXWDFCTUODX-HNNXBMFYSA-N 0 0 303.402 3.069 20 10 DGCDRN Cc1cc(C(=O)NCc2cc(Cl)ccc2O)ccc1[N+](=O)[O-] ZINC001452948310 1182305630 /nfs/dbraw/zinc/30/56/30/1182305630.db2.gz WSDRKIZXZUNZJW-UHFFFAOYSA-N 0 0 320.732 3.192 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC001453651965 1182321841 /nfs/dbraw/zinc/32/18/41/1182321841.db2.gz QUMPTQOYZYDULP-UHFFFAOYSA-N 0 0 320.732 3.192 20 10 DGCDRN C[C@@H](NC(=O)Cc1cc2ccccc2c(=O)[nH]1)c1ccccc1O ZINC001454808490 1182353457 /nfs/dbraw/zinc/35/34/57/1182353457.db2.gz WNRFZEWBPOXKRK-GFCCVEGCSA-N 0 0 322.364 3.066 20 10 DGCDRN C[C@@H](NC(=O)c1ccoc1Br)c1ccccc1O ZINC001454808154 1182353518 /nfs/dbraw/zinc/35/35/18/1182353518.db2.gz UBOWGTLZZKSYJL-MRVPVSSYSA-N 0 0 310.147 3.239 20 10 DGCDRN C[C@H](NC(=O)Cc1cc2ccccc2c(=O)[nH]1)c1ccccc1O ZINC001454822064 1182353920 /nfs/dbraw/zinc/35/39/20/1182353920.db2.gz WNRFZEWBPOXKRK-LBPRGKRZSA-N 0 0 322.364 3.066 20 10 DGCDRN O=C(c1ccc(F)c2cccnc12)N1Cc2cccc(O)c2C1 ZINC001455045135 1182358792 /nfs/dbraw/zinc/35/87/92/1182358792.db2.gz VUCBZVOXCZYUQK-UHFFFAOYSA-N 0 0 308.312 3.236 20 10 DGCDRN O=C(Cc1ccc(OC(F)F)cc1)N1Cc2cccc(O)c2C1 ZINC001455036881 1182358849 /nfs/dbraw/zinc/35/88/49/1182358849.db2.gz KWYNKVDYYRPIAZ-UHFFFAOYSA-N 0 0 319.307 3.079 20 10 DGCDRN C[C@H](Cn1ccc2ccccc21)C(=O)NCc1cccc(O)c1O ZINC001455317311 1182366692 /nfs/dbraw/zinc/36/66/92/1182366692.db2.gz TTWSSMJXYRLVOD-CYBMUJFWSA-N 0 0 324.380 3.005 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001455355569 1182366997 /nfs/dbraw/zinc/36/69/97/1182366997.db2.gz CWOQOUCLMHAYPD-GXSJLCMTSA-N 0 0 317.307 3.083 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1coc(C2CCCCC2)n1 ZINC001455356215 1182367103 /nfs/dbraw/zinc/36/71/03/1182367103.db2.gz IAPURCNEDQTWCM-UHFFFAOYSA-N 0 0 316.357 3.064 20 10 DGCDRN C[C@H]1CCc2sc(C(=O)NCc3c(O)cccc3O)cc2C1 ZINC001456238129 1182407245 /nfs/dbraw/zinc/40/72/45/1182407245.db2.gz YDRUGFBTHYUSNR-JTQLQIEISA-N 0 0 317.410 3.214 20 10 DGCDRN C[C@@H](Cc1ccccc1Cl)NC(=O)c1c(F)ccc(O)c1O ZINC001457560090 1182469644 /nfs/dbraw/zinc/46/96/44/1182469644.db2.gz SGNJVKQOLUQSOG-VIFPVBQESA-N 0 0 323.751 3.251 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H]2c2ccc[nH]2)cc1 ZINC001457525187 1182470195 /nfs/dbraw/zinc/47/01/95/1182470195.db2.gz LADXBTWOUQVFBF-AWEZNQCLSA-N 0 0 311.345 3.154 20 10 DGCDRN O=C(N[C@@H]1C[C@H]1c1ccccc1Cl)c1c(F)ccc(O)c1O ZINC001457940203 1182486784 /nfs/dbraw/zinc/48/67/84/1182486784.db2.gz ZFJKHKWUXYPBHK-JOYOIKCWSA-N 0 0 321.735 3.176 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)c1ncnc2c1CCC2 ZINC001458086596 1182495470 /nfs/dbraw/zinc/49/54/70/1182495470.db2.gz XTNYDUYQRXCPEC-UHFFFAOYSA-N 0 0 308.429 3.202 20 10 DGCDRN CCCN(CC1CC1)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC001458284847 1182510575 /nfs/dbraw/zinc/51/05/75/1182510575.db2.gz ZPPHPMJDJOWEBS-CLFYSBASSA-N 0 0 318.373 3.407 20 10 DGCDRN COC(=O)COc1ccc(N(C)Cc2ccc(C)c(C)c2)cc1 ZINC001459937848 1182631647 /nfs/dbraw/zinc/63/16/47/1182631647.db2.gz UPNSSVQEZPLBHF-UHFFFAOYSA-N 0 0 313.397 3.492 20 10 DGCDRN CN(C)c1ccc(NCc2c(O)cccc2Br)nc1 ZINC001461307722 1182793550 /nfs/dbraw/zinc/79/35/50/1182793550.db2.gz LSLXEWIGXSHOKD-UHFFFAOYSA-N 0 0 322.206 3.228 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCc1ccc(F)c(F)c1F ZINC001461381151 1182803078 /nfs/dbraw/zinc/80/30/78/1182803078.db2.gz PMDGCBIVAOCUOB-UHFFFAOYSA-N 0 0 317.257 3.420 20 10 DGCDRN CN(C)C(=O)c1cccc(C[NH2+]Cc2cccc(Cl)c2[O-])c1 ZINC001461818906 1182861832 /nfs/dbraw/zinc/86/18/32/1182861832.db2.gz RQHPZRGPDNCNQI-UHFFFAOYSA-N 0 0 318.804 3.037 20 10 DGCDRN Oc1cc(Cl)ccc1CN1CCN(Cc2ccsc2)CC1 ZINC001462006024 1182893307 /nfs/dbraw/zinc/89/33/07/1182893307.db2.gz ACABXTQKXAPVIL-UHFFFAOYSA-N 0 0 322.861 3.425 20 10 DGCDRN CC(C)NC(=O)c1ccc(NCc2cc(F)c(F)cc2O)cc1 ZINC001462069701 1182904642 /nfs/dbraw/zinc/90/46/42/1182904642.db2.gz GUAFYEXEOTVFBG-UHFFFAOYSA-N 0 0 320.339 3.421 20 10 DGCDRN COCC[C@H](Cc1ccco1)[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001462089954 1182905644 /nfs/dbraw/zinc/90/56/44/1182905644.db2.gz YMMWAAZQHVKCRS-GFCCVEGCSA-N 0 0 311.328 3.001 20 10 DGCDRN CN(C)CC[N@@H+](Cc1cccc(F)c1[O-])CC1CCCCC1 ZINC001462190931 1182920827 /nfs/dbraw/zinc/92/08/27/1182920827.db2.gz VWSDEGBAGWWPRY-UHFFFAOYSA-N 0 0 308.441 3.475 20 10 DGCDRN CC[C@H]1COC(C)(C)CN1Cc1cc(F)c(N(C)C)cc1F ZINC001462411618 1182949087 /nfs/dbraw/zinc/94/90/87/1182949087.db2.gz FCQPWRXZPWSRDE-ZDUSSCGKSA-N 0 0 312.404 3.420 20 10 DGCDRN Cn1c(CNCc2c(O)cccc2F)nc2ccc(Cl)cc21 ZINC001462586099 1182972914 /nfs/dbraw/zinc/97/29/14/1182972914.db2.gz CRFTZLZGEPMBPG-UHFFFAOYSA-N 0 0 319.767 3.361 20 10 DGCDRN CCc1cccc(CN2CCn3c(C(C)C)nnc3[C@H]2C)c1O ZINC001462684665 1182985669 /nfs/dbraw/zinc/98/56/69/1182985669.db2.gz PDCFQLCOAQZMJL-CYBMUJFWSA-N 0 0 314.433 3.246 20 10 DGCDRN O=C(NCCCSc1nccs1)c1onc2ccccc21 ZINC001464903402 1183119527 /nfs/dbraw/zinc/11/95/27/1183119527.db2.gz VNOZZAYUGLVMST-UHFFFAOYSA-N 0 0 319.411 3.197 20 10 DGCDRN C[C@@H](NC(=O)C1=CC(=O)CS1)c1cccc(-n2cccn2)c1 ZINC001465446457 1183149344 /nfs/dbraw/zinc/14/93/44/1183149344.db2.gz IJSGCEWPAVJBDA-LLVKDONJSA-N 0 0 313.382 3.130 20 10 DGCDRN Cc1nc2c(cccc2C(=O)NCc2cccc(Cl)c2O)[nH]1 ZINC001606861195 1193206300 /nfs/dbraw/zinc/20/63/00/1193206300.db2.gz YAYZXAWVTREUGR-UHFFFAOYSA-N 0 0 315.760 3.160 20 10 DGCDRN CNc1ccc(Cl)c(C(=O)NCc2cccc(OC)c2O)c1 ZINC001465993579 1183181995 /nfs/dbraw/zinc/18/19/95/1183181995.db2.gz UHECSUJOZIAMRV-UHFFFAOYSA-N 0 0 320.776 3.026 20 10 DGCDRN Cc1cc(CC(=O)N2CC(F)(F)C2)c(C)n1-c1ccccc1 ZINC001466784460 1183224852 /nfs/dbraw/zinc/22/48/52/1183224852.db2.gz GRSVGJJVEGUOPQ-UHFFFAOYSA-N 0 0 304.340 3.114 20 10 DGCDRN C[C@H](NC(=O)Nc1cc(F)ccc1N(C)C)c1ccccc1O ZINC001467243461 1183249290 /nfs/dbraw/zinc/24/92/90/1183249290.db2.gz CTMFKFQNEAXCRO-NSHDSACASA-N 0 0 317.364 3.480 20 10 DGCDRN CCCCCCNC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001467624791 1183275396 /nfs/dbraw/zinc/27/53/96/1183275396.db2.gz UZKKAMXVJQCGLD-UHFFFAOYSA-N 0 0 321.465 3.353 20 10 DGCDRN CC(C)c1ncsc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001468118418 1183311053 /nfs/dbraw/zinc/31/10/53/1183311053.db2.gz SPGBOBXREHGOLO-XQRVVYSFSA-N 0 0 304.371 3.330 20 10 DGCDRN COc1cc(C)c(C[N@@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c(O)c1 ZINC001607148599 1193215417 /nfs/dbraw/zinc/21/54/17/1193215417.db2.gz KFWSPWVDZCLHSD-CYBMUJFWSA-N 0 0 321.417 3.032 20 10 DGCDRN CCC[C@H](CC)NC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001468435891 1183333973 /nfs/dbraw/zinc/33/39/73/1183333973.db2.gz VICVMENGAXXWFS-HNNXBMFYSA-N 0 0 321.465 3.352 20 10 DGCDRN CON(C(=O)Cc1ccc(O)c(O)c1)[C@@H](C)c1ccccc1C ZINC001468625367 1183347763 /nfs/dbraw/zinc/34/77/63/1183347763.db2.gz YMRPWWIYAOPLMB-ZDUSSCGKSA-N 0 0 315.369 3.100 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2ccc3c(c2)CCOC3)cc1 ZINC001470173243 1183467113 /nfs/dbraw/zinc/46/71/13/1183467113.db2.gz OFMUXIUHYFVQLE-UHFFFAOYSA-N 0 0 324.340 3.174 20 10 DGCDRN C[C@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccccc1O ZINC001471194661 1183545379 /nfs/dbraw/zinc/54/53/79/1183545379.db2.gz NZQUJFOKULDGRV-AWEZNQCLSA-N 0 0 321.380 3.128 20 10 DGCDRN Cc1c(C(=O)N[C@H](C)c2ccccc2O)cnn1-c1ccccc1 ZINC001471196221 1183545405 /nfs/dbraw/zinc/54/54/05/1183545405.db2.gz WCFOQADZPMDCPA-CYBMUJFWSA-N 0 0 321.380 3.377 20 10 DGCDRN Cc1cc(C)c(/C=C/C(=O)NCc2cccc(O)c2O)cc1C ZINC001471641954 1183580503 /nfs/dbraw/zinc/58/05/03/1183580503.db2.gz CUFXISWDLCJSQQ-BQYQJAHWSA-N 0 0 311.381 3.353 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cc(F)cc2ccoc21 ZINC001471975891 1183604478 /nfs/dbraw/zinc/60/44/78/1183604478.db2.gz LKVMCMCLWBXLRY-UHFFFAOYSA-N 0 0 303.264 3.347 20 10 DGCDRN C[C@@H](Cn1ccc2ccccc21)C(=O)NCc1c(O)cccc1O ZINC001472063666 1183611955 /nfs/dbraw/zinc/61/19/55/1183611955.db2.gz QCRFYKRMCDOQIY-ZDUSSCGKSA-N 0 0 324.380 3.005 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC001472163085 1183621629 /nfs/dbraw/zinc/62/16/29/1183621629.db2.gz LKFJGWQWWPYHSX-SECOEOQKSA-N 0 0 323.392 3.345 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)Nc1cc(Cl)nc(N)n1 ZINC001472808552 1183684352 /nfs/dbraw/zinc/68/43/52/1183684352.db2.gz VLUIQNUHYRZFHF-NSHDSACASA-N 0 0 319.840 3.130 20 10 DGCDRN C[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)c1ccccc1O ZINC001472856300 1183691411 /nfs/dbraw/zinc/69/14/11/1183691411.db2.gz QIKUBLPXCSVEJG-MRVPVSSYSA-N 0 0 316.342 3.478 20 10 DGCDRN C[C@H](Nc1ncnc(F)c1Br)c1ccccc1O ZINC001472856226 1183691448 /nfs/dbraw/zinc/69/14/48/1183691448.db2.gz MYRXQDUVCGTRLZ-ZETCQYMHSA-N 0 0 312.142 3.257 20 10 DGCDRN CCOc1ccc(N(Cc2cnn(CC)n2)CC2CC2)cc1 ZINC001473718596 1183792783 /nfs/dbraw/zinc/79/27/83/1183792783.db2.gz SLQPQJXMXNRWAA-UHFFFAOYSA-N 0 0 300.406 3.113 20 10 DGCDRN Cc1cc(Cl)cc(C[NH+]2CCC3(C[C@@H]3C(=O)[O-])CC2)c1O ZINC001607655730 1193245691 /nfs/dbraw/zinc/24/56/91/1193245691.db2.gz HGEQKDJIQHYDKH-CYBMUJFWSA-N 0 0 309.793 3.041 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC001473983952 1183844717 /nfs/dbraw/zinc/84/47/17/1183844717.db2.gz LCPUSQRWJBCXEV-CYBMUJFWSA-N 0 0 307.752 3.278 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC001474100694 1183867381 /nfs/dbraw/zinc/86/73/81/1183867381.db2.gz SXWCWBWEYZWQFH-KCPJHIHWSA-N 0 0 311.784 3.232 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC001474100693 1183867408 /nfs/dbraw/zinc/86/74/08/1183867408.db2.gz SXWCWBWEYZWQFH-GLQYFDAESA-N 0 0 311.784 3.232 20 10 DGCDRN CN(C)c1cncc(NCc2cc(F)c(N(C)C)cc2F)c1 ZINC001474232743 1183886545 /nfs/dbraw/zinc/88/65/45/1183886545.db2.gz UVBRWQOIYMFJJR-UHFFFAOYSA-N 0 0 306.360 3.104 20 10 DGCDRN CN1Cc2ccccc2[C@H]1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001474239806 1183888447 /nfs/dbraw/zinc/88/84/47/1183888447.db2.gz IAZXBXNJGTYOFA-MRXNPFEDSA-N 0 0 320.795 3.461 20 10 DGCDRN Cc1cc(O)c(C[NH2+][C@@H](C(=O)[O-])c2ccccc2F)cc1Cl ZINC001607698720 1193249570 /nfs/dbraw/zinc/24/95/70/1193249570.db2.gz DUEDDUSNKSZFGX-OAHLLOKOSA-N 0 0 323.751 3.409 20 10 DGCDRN COc1cc(C)c(CNc2cnn([C@@H](C)C3CC3)c2)c(O)c1 ZINC001474467014 1183926822 /nfs/dbraw/zinc/92/68/22/1183926822.db2.gz RDAIFPACBZNPPL-LBPRGKRZSA-N 0 0 301.390 3.489 20 10 DGCDRN COc1ccc(N(C)Cc2ccc(OC)c(OC)c2F)cc1 ZINC001474613126 1183950296 /nfs/dbraw/zinc/95/02/96/1183950296.db2.gz GHWCIWKCAHRZIV-UHFFFAOYSA-N 0 0 305.349 3.488 20 10 DGCDRN Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(F)cc(F)c3[O-])C2)nc1 ZINC001474649696 1183955971 /nfs/dbraw/zinc/95/59/71/1183955971.db2.gz GBJIZBJXELKVPH-AWEZNQCLSA-N 0 0 320.339 3.027 20 10 DGCDRN Cc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccc(F)c(C)c2)c(O)c1 ZINC001607783351 1193256805 /nfs/dbraw/zinc/25/68/05/1193256805.db2.gz ZNBGYIOXYNPPMV-MRXNPFEDSA-N 0 0 303.333 3.064 20 10 DGCDRN CCOc1ccc(NC(=O)NCc2cc(C)ccc2O)cc1 ZINC001475939059 1184024280 /nfs/dbraw/zinc/02/42/80/1184024280.db2.gz ZCZHLHGYPINDHN-UHFFFAOYSA-N 0 0 300.358 3.421 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Nc1ccc(OC(F)F)cn1 ZINC001476652841 1184047781 /nfs/dbraw/zinc/04/77/81/1184047781.db2.gz HSSJJCRXWGMJKZ-UHFFFAOYSA-N 0 0 323.299 3.053 20 10 DGCDRN Cc1cc(C[NH2+]C2CC(C(=O)[O-])C2)c(C)n1-c1cccc(C)c1 ZINC001607836676 1193261293 /nfs/dbraw/zinc/26/12/93/1193261293.db2.gz HTQKIWACFFWCOH-UHFFFAOYSA-N 0 0 312.413 3.355 20 10 DGCDRN CN1CCCc2cc(CNC(=O)NCC3=CCCCC3)ccc21 ZINC001477634522 1184103086 /nfs/dbraw/zinc/10/30/86/1184103086.db2.gz ILHFIJZLEKHXGP-UHFFFAOYSA-N 0 0 313.445 3.369 20 10 DGCDRN CC[C@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)[C@@H]1C ZINC001477635003 1184103475 /nfs/dbraw/zinc/10/34/75/1184103475.db2.gz OSIVTVGCXVRBLS-ZBFHGGJFSA-N 0 0 315.461 3.399 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC[C@@H]2C[C@H]2C2CCC2)cc1F ZINC001477653909 1184104564 /nfs/dbraw/zinc/10/45/64/1184104564.db2.gz YQRQEPPIKVJBCM-GJZGRUSLSA-N 0 0 319.424 3.127 20 10 DGCDRN Cc1cc(CCNC(=O)NOC(C)C)c(C)n1-c1ccccc1 ZINC001479064082 1184200033 /nfs/dbraw/zinc/20/00/33/1184200033.db2.gz NBQRTPXCSQWCRR-UHFFFAOYSA-N 0 0 315.417 3.276 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NN2C[C@H]3CCC[C@@H]3C2)cc1 ZINC001608153582 1193280062 /nfs/dbraw/zinc/28/00/62/1193280062.db2.gz HNOCULYMJMJKKX-QZTJIDSGSA-N 0 0 323.440 3.471 20 10 DGCDRN O=C([O-])Cc1ccccc1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001608790130 1193304460 /nfs/dbraw/zinc/30/44/60/1193304460.db2.gz OXDAVRLCZRBISU-UHFFFAOYSA-N 0 0 324.424 3.204 20 10 DGCDRN CN(C)c1ccc(CNC(=S)NCc2ccc(F)cc2)cc1 ZINC000007381438 1193334733 /nfs/dbraw/zinc/33/47/33/1193334733.db2.gz LLYROLPWIOXPFW-UHFFFAOYSA-N 0 0 317.433 3.056 20 10 DGCDRN C[C@H]([NH2+]CCCOc1ccccc1)c1cc(C(=O)[O-])ccc1O ZINC001609779769 1193355966 /nfs/dbraw/zinc/35/59/66/1193355966.db2.gz NRTNTQZMMDOVND-ZDUSSCGKSA-N 0 0 315.369 3.210 20 10 DGCDRN C[C@@H](C[N@H+](Cc1ccccc1)Cc1cc(F)ccc1O)C(=O)[O-] ZINC001609742432 1193353391 /nfs/dbraw/zinc/35/33/91/1193353391.db2.gz RBCPKPSEWVLPBP-ZDUSSCGKSA-N 0 0 317.360 3.254 20 10 DGCDRN Cc1cc(C[NH2+][C@@]2(C)CCCC[C@H]2C(=O)[O-])ccc1N(C)C ZINC001610460791 1193390445 /nfs/dbraw/zinc/39/04/45/1193390445.db2.gz FQDIAFJPBJYHKT-YJBOKZPZSA-N 0 0 304.434 3.184 20 10 DGCDRN Cc1cc(C)cc([C@H]([NH2+]Cc2cc(F)ccc2O)C(=O)[O-])c1 ZINC001610456234 1193390461 /nfs/dbraw/zinc/39/04/61/1193390461.db2.gz SMPNFHOCNIQPAF-INIZCTEOSA-N 0 0 303.333 3.064 20 10 DGCDRN Cc1cc(O)c(C[NH2+][C@@H](C)c2ncc(C(=O)[O-])s2)cc1C ZINC001610475355 1193391410 /nfs/dbraw/zinc/39/14/10/1193391410.db2.gz BWUPBFCVMGHFSS-JTQLQIEISA-N 0 0 306.387 3.015 20 10 DGCDRN O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1ccccc1O ZINC001610736677 1193406066 /nfs/dbraw/zinc/40/60/66/1193406066.db2.gz YOCJOGPZRURKAE-CVEARBPZSA-N 0 0 303.402 3.248 20 10 DGCDRN CSCc1ccc(CNC(=O)c2c(F)ccc(O)c2O)cc1 ZINC001611294488 1193429788 /nfs/dbraw/zinc/42/97/88/1193429788.db2.gz ZVAVRMXVNDAWKM-UHFFFAOYSA-N 0 0 321.373 3.030 20 10 DGCDRN COc1ccc(N2CCN(Cc3cc(C)c(C)o3)CC2)cc1 ZINC000008675515 1193438634 /nfs/dbraw/zinc/43/86/34/1193438634.db2.gz DYAZCRNPSXZPME-UHFFFAOYSA-N 0 0 300.402 3.227 20 10 DGCDRN Cc1nc(C2CCC2)sc1CC(=O)NCc1ccc(N)cc1 ZINC001515332524 1186754228 /nfs/dbraw/zinc/75/42/28/1186754228.db2.gz KCTIUSCJLOOEBJ-UHFFFAOYSA-N 0 0 315.442 3.160 20 10 DGCDRN CC(C)Cc1cc(NCc2ccc(N(C)C)c(F)c2)ncn1 ZINC001611886777 1193442738 /nfs/dbraw/zinc/44/27/38/1193442738.db2.gz ZGGVVEBAFZZGPG-UHFFFAOYSA-N 0 0 302.397 3.492 20 10 DGCDRN COCC[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)c2ccccc21 ZINC001515788598 1186771045 /nfs/dbraw/zinc/77/10/45/1186771045.db2.gz HSEMEQZTZQNRCY-INIZCTEOSA-N 0 0 324.424 3.368 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(C)c(C)n2)cc1 ZINC001516598404 1186787304 /nfs/dbraw/zinc/78/73/04/1186787304.db2.gz CNFJWLVGLUATOK-UHFFFAOYSA-N 0 0 311.429 3.475 20 10 DGCDRN C[C@@H]1CCN(c2nnc(C3SC=CC3=O)n2CC2CC2)[C@H]1C ZINC001518345889 1186838190 /nfs/dbraw/zinc/83/81/90/1186838190.db2.gz RVOBBGOLVHHGDJ-MNOVXSKESA-N 0 0 318.446 3.357 20 10 DGCDRN C[C@H](C1CC1)N(C)c1nnc(C2SC=CC2=O)n1CC1CC1 ZINC001518342568 1186838305 /nfs/dbraw/zinc/83/83/05/1186838305.db2.gz BDJZMDQCVADXBV-SNVBAGLBSA-N 0 0 318.446 3.357 20 10 DGCDRN Cn1c(C2SC=CC2=O)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001519506867 1186879157 /nfs/dbraw/zinc/87/91/57/1186879157.db2.gz MGDLNFYKHRNQTB-JTQLQIEISA-N 0 0 306.435 3.122 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2C[C@H](C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC001612509825 1193453417 /nfs/dbraw/zinc/45/34/17/1193453417.db2.gz NGMRPFLRPUTNNY-SHYGTOARSA-N 0 0 318.373 3.262 20 10 DGCDRN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CC[C@@H](C)C1 ZINC001612537267 1193454192 /nfs/dbraw/zinc/45/41/92/1193454192.db2.gz AUESHYQKWAJDKV-UKRRQHHQSA-N 0 0 314.433 3.365 20 10 DGCDRN CC(C)(CC(=O)NCc1cccc(O)c1O)c1ccc(F)cc1 ZINC001520510492 1186949949 /nfs/dbraw/zinc/94/99/49/1186949949.db2.gz YHHTYQCEUMJJFH-UHFFFAOYSA-N 0 0 317.360 3.221 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N(C)CCC(F)(F)F ZINC001520730901 1186963881 /nfs/dbraw/zinc/96/38/81/1186963881.db2.gz MYXVVOFEUMOCBG-UHFFFAOYSA-N 0 0 320.340 3.121 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1CC(C)(C)C[C@H]1C ZINC001520738832 1186964826 /nfs/dbraw/zinc/96/48/26/1186964826.db2.gz PXZBAKVGTIRMKA-SNVBAGLBSA-N 0 0 306.435 3.357 20 10 DGCDRN O=C(NCCCSc1nccs1)c1ccc2c(c1)NCC2 ZINC001521340141 1187015960 /nfs/dbraw/zinc/01/59/60/1187015960.db2.gz LBPKLRZIHGOOHU-UHFFFAOYSA-N 0 0 319.455 3.023 20 10 DGCDRN CCNc1ncc(C(=O)N[C@H](C)c2ccccc2O)cc1Cl ZINC001521808037 1187048874 /nfs/dbraw/zinc/04/88/74/1187048874.db2.gz UYPCXZQFGQCWNF-SNVBAGLBSA-N 0 0 319.792 3.363 20 10 DGCDRN CCc1c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cnn1CC ZINC001523200599 1187138930 /nfs/dbraw/zinc/13/89/30/1187138930.db2.gz JUPCGRFGQMUGHZ-ZDUSSCGKSA-N 0 0 314.433 3.022 20 10 DGCDRN C/C(=C\C(=O)N(C)c1cccc2cccnc21)c1cnccn1 ZINC001524324052 1187234579 /nfs/dbraw/zinc/23/45/79/1187234579.db2.gz HUFCUVAPVZAVCX-ACCUITESSA-N 0 0 304.353 3.091 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CC1CCOCC1 ZINC001525106231 1187296901 /nfs/dbraw/zinc/29/69/01/1187296901.db2.gz ANQMYKMEAASIAY-UHFFFAOYSA-N 0 0 316.445 3.062 20 10 DGCDRN CCN(C(=O)/C=C(\C)c1cnccn1)c1ccc(F)c(F)c1 ZINC001526158348 1187355242 /nfs/dbraw/zinc/35/52/42/1187355242.db2.gz AZQKBLUWPKNODS-DHZHZOJOSA-N 0 0 303.312 3.211 20 10 DGCDRN CC(C)Cc1ccc(CC(=O)NCc2cccc(O)c2O)cc1 ZINC001528770930 1187511329 /nfs/dbraw/zinc/51/13/29/1187511329.db2.gz HCPBCJLGXNKZRL-UHFFFAOYSA-N 0 0 313.397 3.155 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@]1(C)C=CCC1 ZINC001529277413 1187546023 /nfs/dbraw/zinc/54/60/23/1187546023.db2.gz GNTYAJZVIPFPJS-KXBFYZLASA-N 0 0 300.446 3.465 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@]1(C)C=CCC1 ZINC001529277412 1187546194 /nfs/dbraw/zinc/54/61/94/1187546194.db2.gz GNTYAJZVIPFPJS-HNAYVOBHSA-N 0 0 300.446 3.465 20 10 DGCDRN CCC[C@H](C)CC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001530898377 1187652570 /nfs/dbraw/zinc/65/25/70/1187652570.db2.gz YXSWMYRKRWCIFY-HNNXBMFYSA-N 0 0 306.450 3.416 20 10 DGCDRN NC(=O)[C@H](Sc1ncc(Cl)s1)c1ccc(F)cc1 ZINC001614768639 1193505626 /nfs/dbraw/zinc/50/56/26/1193505626.db2.gz NFFPBQUUEWEVJZ-SECBINFHSA-N 0 0 302.783 3.254 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H]2C[C@@]2(C)C(C)C)cc1 ZINC001531374426 1187682758 /nfs/dbraw/zinc/68/27/58/1187682758.db2.gz CCCWVSDRUQWYMB-MJGOQNOKSA-N 0 0 318.461 3.272 20 10 DGCDRN Cc1cc(CC(=O)Nc2ccc(F)nn2)c(C)n1-c1ccccc1 ZINC001532770735 1187783988 /nfs/dbraw/zinc/78/39/88/1187783988.db2.gz VDGZPMOKPYDADM-UHFFFAOYSA-N 0 0 324.359 3.204 20 10 DGCDRN COc1ncc(/C=C/C(=O)N2CC[C@@H](C)c3cccc(C)c32)cn1 ZINC001534104863 1187875794 /nfs/dbraw/zinc/87/57/94/1187875794.db2.gz NSRRWJLMQUTYDI-SBDDDAINSA-N 0 0 323.396 3.347 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)COCC2CCCC2)cc1 ZINC001534245600 1187885323 /nfs/dbraw/zinc/88/53/23/1187885323.db2.gz GAWFZXUEEDGCQJ-UHFFFAOYSA-N 0 0 318.461 3.356 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H](C)O[C@H]2C)cc1 ZINC001535054367 1187935503 /nfs/dbraw/zinc/93/55/03/1187935503.db2.gz VLBPSPZRPRFIRD-RVKKMQEKSA-N 0 0 312.413 3.390 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2COC[C@@H]2C2CC2)cc1 ZINC001537611181 1188086098 /nfs/dbraw/zinc/08/60/98/1188086098.db2.gz QEXRNKAOGSBERQ-MOPGFXCFSA-N 0 0 324.424 3.249 20 10 DGCDRN C/C(=C/c1cccnc1)C(=O)N1CCN(C)c2cc(F)ccc21 ZINC001539670502 1188198390 /nfs/dbraw/zinc/19/83/90/1188198390.db2.gz CGNPICPDGHWXHN-RAXLEYEMSA-N 0 0 311.360 3.107 20 10 DGCDRN CO[C@@H]1CC[C@H]1N(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001539778408 1188203431 /nfs/dbraw/zinc/20/34/31/1188203431.db2.gz SBBRCHHTSOQIEA-QZTJIDSGSA-N 0 0 312.413 3.344 20 10 DGCDRN COC[C@@H](C)CNC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001542402967 1188284620 /nfs/dbraw/zinc/28/46/20/1188284620.db2.gz FHUGEYLCTVUJRL-AWEZNQCLSA-N 0 0 314.429 3.415 20 10 DGCDRN Cc1ccc(/C=C\C(=O)N(C)c2cccnc2N2CCCC2)cn1 ZINC001542558261 1188288070 /nfs/dbraw/zinc/28/80/70/1188288070.db2.gz JBMJXGQTGXOFRO-KTKRTIGZSA-N 0 0 322.412 3.061 20 10 DGCDRN Cc1c2ccccc2oc1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001543524981 1188339094 /nfs/dbraw/zinc/33/90/94/1188339094.db2.gz IMUOTAJLJLQZCS-UHFFFAOYSA-N 0 0 311.337 3.011 20 10 DGCDRN CON(C(=O)Cc1cc(C)n(-c2ccccc2)c1C)C(C)C ZINC001545620548 1188434845 /nfs/dbraw/zinc/43/48/45/1188434845.db2.gz HSFAFUPBBJXPRU-UHFFFAOYSA-N 0 0 300.402 3.435 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC1CC=CC1 ZINC001557366162 1189059122 /nfs/dbraw/zinc/05/91/22/1189059122.db2.gz JGBCONVHIGTTTN-UHFFFAOYSA-N 0 0 308.381 3.355 20 10 DGCDRN CO[C@H]1C[C@H](NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC001557792219 1189086676 /nfs/dbraw/zinc/08/66/76/1189086676.db2.gz ALDOJZRSVAMCID-JCNLHEQBSA-N 0 0 312.413 3.310 20 10 DGCDRN CCc1n[nH]cc1C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001557888645 1189091063 /nfs/dbraw/zinc/09/10/63/1189091063.db2.gz SXCLKRUPANXVTM-UHFFFAOYSA-N 0 0 322.412 3.310 20 10 DGCDRN C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC001557965485 1189095305 /nfs/dbraw/zinc/09/53/05/1189095305.db2.gz FTWMDBNKNDNUTF-JATZPVMKSA-N 0 0 312.325 3.191 20 10 DGCDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1O ZINC001557967996 1189096098 /nfs/dbraw/zinc/09/60/98/1189096098.db2.gz NYKHAJGSULRGLV-VIFPVBQESA-N 0 0 320.732 3.445 20 10 DGCDRN CC[C@@H](C[C@H](C)O)NC(=O)c1sccc1-n1c(C)ccc1C ZINC001558010373 1189097222 /nfs/dbraw/zinc/09/72/22/1189097222.db2.gz YQAHHCWWKSGNDG-KBPBESRZSA-N 0 0 320.458 3.435 20 10 DGCDRN Cc1ccc2nc(C(=O)N3Cc4cccc(O)c4C3)ccc2c1 ZINC001558035747 1189100801 /nfs/dbraw/zinc/10/08/01/1189100801.db2.gz ODQDXFKDRGOXBJ-UHFFFAOYSA-N 0 0 304.349 3.405 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cccc2nccn21 ZINC001558554731 1189133165 /nfs/dbraw/zinc/13/31/65/1189133165.db2.gz VDFGSKODLQPWLV-UHFFFAOYSA-N 0 0 317.348 3.123 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCC[C@H](O)C1CC1 ZINC001558748200 1189145878 /nfs/dbraw/zinc/14/58/78/1189145878.db2.gz HHSSDHWPFWMHBA-HNNXBMFYSA-N 0 0 318.442 3.046 20 10 DGCDRN Cc1c(NC(=O)c2ccc(N=NC(N)=O)cc2)n[nH]c1C(C)C ZINC001559000656 1189162136 /nfs/dbraw/zinc/16/21/36/1189162136.db2.gz KRXDIIKCDSZSNZ-UHFFFAOYSA-N 0 0 314.349 3.256 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)Nc1ncccc1[N+](=O)[O-] ZINC001559214273 1189181536 /nfs/dbraw/zinc/18/15/36/1189181536.db2.gz GLMYTWIUBXWYED-ZDUSSCGKSA-N 0 0 314.389 3.407 20 10 DGCDRN CCOC(=O)[C@@H]1C[C@H]1CN1CCCCc2cc(OC)ccc21 ZINC001559659569 1189227533 /nfs/dbraw/zinc/22/75/33/1189227533.db2.gz ROLAJGXIERVADR-GOEBONIOSA-N 0 0 303.402 3.037 20 10 DGCDRN CCN(C)c1ccc(CN2C[C@H](C)O[C@](C)(C(F)F)C2)cc1 ZINC001560014162 1189268928 /nfs/dbraw/zinc/26/89/28/1189268928.db2.gz LWDUNWXOOGIJSN-GUYCJALGSA-N 0 0 312.404 3.387 20 10 DGCDRN CN(Cc1cnn(C)c1Cl)Cc1ccc(N2CCCC2)cc1 ZINC001560815853 1189387237 /nfs/dbraw/zinc/38/72/37/1189387237.db2.gz RSAPOZOUUPKPKP-UHFFFAOYSA-N 0 0 318.852 3.306 20 10 DGCDRN COC(=O)[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])CC(C)C ZINC001560863577 1189395428 /nfs/dbraw/zinc/39/54/28/1189395428.db2.gz WYPZCRZCUSBJQU-LLVKDONJSA-N 0 0 317.788 3.110 20 10 DGCDRN CC[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])C(=O)OC(C)(C)C ZINC001561015143 1189420254 /nfs/dbraw/zinc/42/02/54/1189420254.db2.gz MGNVFWCFMOIIIN-JTQLQIEISA-N 0 0 315.360 3.128 20 10 DGCDRN Oc1cc(F)c(F)cc1CN1CCS[C@H](C(F)(F)F)C1 ZINC001561008770 1189419519 /nfs/dbraw/zinc/41/95/19/1189419519.db2.gz IVAMXGSJVMXUFJ-NSHDSACASA-N 0 0 313.291 3.150 20 10 DGCDRN CCOC(=O)[C@]12CCC[C@@H]1C[C@H]([NH2+]Cc1c([O-])cccc1F)C2 ZINC001561016009 1189420826 /nfs/dbraw/zinc/42/08/26/1189420826.db2.gz MKEBYOSQOANZGM-VBHSOAQHSA-N 0 0 321.392 3.133 20 10 DGCDRN Cc1nc(NC(=O)NCc2cccc(Cl)c2O)sc1C ZINC001562687451 1189489981 /nfs/dbraw/zinc/48/99/81/1189489981.db2.gz QHZYFJCUFGMOIQ-UHFFFAOYSA-N 0 0 311.794 3.441 20 10 DGCDRN C[C@@H]1CCC[C@H]1CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC001563791746 1189534309 /nfs/dbraw/zinc/53/43/09/1189534309.db2.gz GBOAOLMLRVMBTH-PBHICJAKSA-N 0 0 315.461 3.304 20 10 DGCDRN C[C@@H]1C[C@H](C)CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC001563810436 1189536289 /nfs/dbraw/zinc/53/62/89/1189536289.db2.gz FXEFSDXXFVXXOE-ZIAGYGMSSA-N 0 0 321.440 3.469 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC001565461030 1189647473 /nfs/dbraw/zinc/64/74/73/1189647473.db2.gz XSNINCFUWXJTHE-RYQLBKOJSA-N 0 0 315.461 3.473 20 10 DGCDRN COc1cccc(CNC(=O)c2ccsc2C(F)F)c1O ZINC001566374732 1189766080 /nfs/dbraw/zinc/76/60/80/1189766080.db2.gz SBWHJBFWNYWEGD-UHFFFAOYSA-N 0 0 313.325 3.330 20 10 DGCDRN O=C(Nc1ccc(-c2nncs2)cc1)C1=CC(=O)CS1 ZINC001568399190 1190510502 /nfs/dbraw/zinc/51/05/02/1190510502.db2.gz LUVSSUMPEWXSBC-UHFFFAOYSA-N 0 0 303.368 3.225 20 10 DGCDRN C[C@H](CC(=O)c1ccc(F)cc1)C(=O)Oc1ccc(N)cc1 ZINC001575923862 1191516855 /nfs/dbraw/zinc/51/68/55/1191516855.db2.gz PGULHKGPOOGUTE-LLVKDONJSA-N 0 0 301.317 3.222 20 10 DGCDRN CCOC(=O)/C=C/CN1C[C@@H](C(C)C)Cc2cc(OC)ccc21 ZINC001618691253 1193748187 /nfs/dbraw/zinc/74/81/87/1193748187.db2.gz FFTRWEVQFMEIOE-MOEXGYKKSA-N 0 0 317.429 3.449 20 10 DGCDRN COc1ccc(N(C)Cc2nc(-c3cc(C)ccn3)no2)cc1 ZINC001619791560 1193761492 /nfs/dbraw/zinc/76/14/92/1193761492.db2.gz CUBDYOHBSUOPSJ-UHFFFAOYSA-N 0 0 310.357 3.085 20 10 DGCDRN CCOc1ccc(N(C)Cc2ccc3oc(=O)n(C)c3c2)cc1 ZINC001620560199 1193778620 /nfs/dbraw/zinc/77/86/20/1193778620.db2.gz OCDQHOFGRONFEB-UHFFFAOYSA-N 0 0 312.369 3.167 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CC(Cc2ccc(Cl)cc2)C1 ZINC001621072865 1193799105 /nfs/dbraw/zinc/79/91/05/1193799105.db2.gz DYJHTNAHLLNPRH-UHFFFAOYSA-N 0 0 317.772 3.066 20 10 DGCDRN CCc1cccc(CNc2ccc(F)c(NC(N)=O)c2)c1O ZINC001621361792 1193832661 /nfs/dbraw/zinc/83/26/61/1193832661.db2.gz PJESEAKDTUHBLZ-UHFFFAOYSA-N 0 0 303.337 3.196 20 10 DGCDRN C[C@H]1[C@H](c2ccccc2)CCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001621496401 1193850645 /nfs/dbraw/zinc/85/06/45/1193850645.db2.gz GPCGAFBHTHZVQE-XJKSGUPXSA-N 0 0 311.381 3.045 20 10 DGCDRN COC(=O)c1sccc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC001621560388 1193858742 /nfs/dbraw/zinc/85/87/42/1193858742.db2.gz MKUHGUJGOCABSG-UHFFFAOYSA-N 0 0 311.790 3.184 20 10 DGCDRN CCCCC[C@@H](O)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC001623451952 1193933115 /nfs/dbraw/zinc/93/31/15/1193933115.db2.gz PBRRWLJSWBKOOD-GOSISDBHSA-N 0 0 320.477 3.432 20 10 DGCDRN CCCCC[C@H](O)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC001623451953 1193933519 /nfs/dbraw/zinc/93/35/19/1193933519.db2.gz PBRRWLJSWBKOOD-SFHVURJKSA-N 0 0 320.477 3.432 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc2c1CCC2 ZINC001623574013 1193939500 /nfs/dbraw/zinc/93/95/00/1193939500.db2.gz JLIGTSHYAKOFBE-UHFFFAOYSA-N 0 0 316.397 3.297 20 10 DGCDRN Cc1cc(CCNC(=O)c2coc(C)n2)c(C)n1-c1ccccc1 ZINC001623739398 1193951590 /nfs/dbraw/zinc/95/15/90/1193951590.db2.gz PBFUJSXHJTZUMZ-UHFFFAOYSA-N 0 0 323.396 3.363 20 10 DGCDRN O=C(NCc1c(O)cccc1F)Nc1snc2ccccc21 ZINC001624803631 1194015302 /nfs/dbraw/zinc/01/53/02/1194015302.db2.gz LINQPZYZBUBLAB-UHFFFAOYSA-N 0 0 317.345 3.463 20 10 DGCDRN COc1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)ccc1F ZINC001625312125 1194043502 /nfs/dbraw/zinc/04/35/02/1194043502.db2.gz SDOQCQTWHYHMJN-UHFFFAOYSA-N 0 0 316.292 3.249 20 10 DGCDRN CSc1ccc(C)c(C(=O)NCc2ccc(O)cc2O)c1 ZINC001626837600 1194097735 /nfs/dbraw/zinc/09/77/35/1194097735.db2.gz ADZLSFBWJUKEMN-UHFFFAOYSA-N 0 0 303.383 3.058 20 10 DGCDRN CN1CCCc2cc(CNC(=O)[C@@H]3C[C@H]3C(C)(C)C)ccc21 ZINC001626940729 1194103022 /nfs/dbraw/zinc/10/30/22/1194103022.db2.gz NLVQFQOZPCPFPM-HZPDHXFCSA-N 0 0 300.446 3.367 20 10 DGCDRN O=C(/C=C/c1cccc(O)c1)NCc1cc(Cl)ccc1O ZINC001628681582 1194191831 /nfs/dbraw/zinc/19/18/31/1194191831.db2.gz YJIGMKIYMUODOO-QPJJXVBHSA-N 0 0 303.745 3.081 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@]2(C)CC(C)=NO2)cc1 ZINC001628857932 1194200964 /nfs/dbraw/zinc/20/09/64/1194200964.db2.gz RVMSGZICXBDZSZ-GOSISDBHSA-N 0 0 317.433 3.046 20 10 DGCDRN CCC(C)(C)C(=O)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001628954676 1194205847 /nfs/dbraw/zinc/20/58/47/1194205847.db2.gz PBXJUPLJLPLZFP-UHFFFAOYSA-N 0 0 316.445 3.251 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC[C@@H]2C[C@H]2C2CCCC2)cc1 ZINC001629377232 1194230337 /nfs/dbraw/zinc/23/03/37/1194230337.db2.gz UBUFAHYWIGQSEV-WMZOPIPTSA-N 0 0 315.461 3.378 20 10 DGCDRN CC(C)n1c2ccccc2nc1NC(=O)c1cccc(O)c1O ZINC001629548259 1194240843 /nfs/dbraw/zinc/24/08/43/1194240843.db2.gz KKDHMFZCIOBMRW-UHFFFAOYSA-N 0 0 311.341 3.281 20 10 DGCDRN COc1cc(C(=O)NCc2cc(C)ccc2O)c2ccccc2n1 ZINC001629741179 1194250413 /nfs/dbraw/zinc/25/04/13/1194250413.db2.gz ZWBIPAXDRMDHGF-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccnc(C(F)(F)F)c2)c1 ZINC001629741110 1194250494 /nfs/dbraw/zinc/25/04/94/1194250494.db2.gz XBZBDMYGLAFRRL-UHFFFAOYSA-N 0 0 310.275 3.044 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1csc(C(F)(F)F)c1 ZINC001630307616 1194279647 /nfs/dbraw/zinc/27/96/47/1194279647.db2.gz XJDQQRLKEAJZBZ-UHFFFAOYSA-N 0 0 317.288 3.108 20 10 DGCDRN Cc1cc(CC(=O)N(C)c2cn[nH]c2)c(C)n1-c1ccccc1 ZINC001630408823 1194284979 /nfs/dbraw/zinc/28/49/79/1194284979.db2.gz ZJENEIFDDDZPCE-UHFFFAOYSA-N 0 0 308.385 3.023 20 10 DGCDRN Cc1cnc(NC(=O)c2cc3cc(O)c(O)cc3s2)s1 ZINC001630517532 1194289648 /nfs/dbraw/zinc/28/96/48/1194289648.db2.gz LQHGUUACTOVERW-UHFFFAOYSA-N 0 0 306.368 3.330 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@@H]1CC1(C)C ZINC001631482073 1194337323 /nfs/dbraw/zinc/33/73/23/1194337323.db2.gz RAVQNOAJNJPADA-ZBFHGGJFSA-N 0 0 317.477 3.337 20 10 DGCDRN C[C@@H](CN(C)C(=O)Cc1ccc(O)c(O)c1)C1CCCCC1 ZINC001631788167 1194355489 /nfs/dbraw/zinc/35/54/89/1194355489.db2.gz PFCBJEMJWYTIQV-ZDUSSCGKSA-N 0 0 305.418 3.315 20 10 DGCDRN CO[C@@H](C(=O)N[C@H](C)c1ccccc1O)c1ccc(F)cc1 ZINC001632250132 1194379375 /nfs/dbraw/zinc/37/93/75/1194379375.db2.gz KWRQJZCZHSIDLP-BDJLRTHQSA-N 0 0 303.333 3.096 20 10 DGCDRN Cc1ccn(-c2ccc(C(=O)N3Cc4cccc(O)c4C3)cc2)n1 ZINC001632703339 1194402878 /nfs/dbraw/zinc/40/28/78/1194402878.db2.gz HRUDFCFMKNSDPP-UHFFFAOYSA-N 0 0 319.364 3.042 20 10 DGCDRN Cc1cccc2c(CCC(=O)NCc3cc(O)ccc3O)c[nH]c21 ZINC001633595016 1194445042 /nfs/dbraw/zinc/44/50/42/1194445042.db2.gz DZZAXDWKUCRGGH-UHFFFAOYSA-N 0 0 324.380 3.137 20 10 DGCDRN Cc1c([C@H](C)[NH2+]Cc2cccc(Br)c2[O-])cnn1C ZINC000048797123 1194491261 /nfs/dbraw/zinc/49/12/61/1194491261.db2.gz VSAHEXJHMWFXNN-VIFPVBQESA-N 0 0 324.222 3.047 20 10 DGCDRN C[C@H](NC(=O)c1cc(F)c(F)cc1N)c1ccc(N(C)C)cc1 ZINC001634448788 1194494590 /nfs/dbraw/zinc/49/45/90/1194494590.db2.gz XZVXVSIMQWNVQZ-JTQLQIEISA-N 0 0 319.355 3.104 20 10 DGCDRN C[C@@H](NC(=O)c1cc(F)c(F)cc1N)c1ccc(N(C)C)cc1 ZINC001634448789 1194494942 /nfs/dbraw/zinc/49/49/42/1194494942.db2.gz XZVXVSIMQWNVQZ-SNVBAGLBSA-N 0 0 319.355 3.104 20 10 DGCDRN CC(C)[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001634581797 1194503057 /nfs/dbraw/zinc/50/30/57/1194503057.db2.gz FKVPHUSFJSOLHP-HUUCEWRRSA-N 0 0 305.418 3.361 20 10 DGCDRN CC[C@@H]1CCCC[C@H]1OCC(=O)NCc1c(O)cccc1F ZINC001635361153 1194546936 /nfs/dbraw/zinc/54/69/36/1194546936.db2.gz YDANCAUJDKDJGP-MLGOLLRUSA-N 0 0 309.381 3.133 20 10 DGCDRN C[C@@H](NC(=O)c1ncc(Cc2ccccc2)o1)c1ccccc1O ZINC001635793946 1194572763 /nfs/dbraw/zinc/57/27/63/1194572763.db2.gz OSZZIIQYEVYGPT-CYBMUJFWSA-N 0 0 322.364 3.462 20 10 DGCDRN C[C@H](NC(=O)Cc1ccc2cccnc2c1)c1ccccc1O ZINC001635804275 1194573371 /nfs/dbraw/zinc/57/33/71/1194573371.db2.gz RVINRIGOPTYYOF-ZDUSSCGKSA-N 0 0 306.365 3.360 20 10 DGCDRN Cc1csc(CNC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001635967162 1194582427 /nfs/dbraw/zinc/58/24/27/1194582427.db2.gz GFEQPGAQLVFQKW-UHFFFAOYSA-N 0 0 302.359 3.149 20 10 DGCDRN O=C(CCc1nc2ccccc2s1)N1Cc2cccc(O)c2C1 ZINC001636225927 1194601451 /nfs/dbraw/zinc/60/14/51/1194601451.db2.gz YIHNIAUBRWPSKQ-UHFFFAOYSA-N 0 0 324.405 3.477 20 10 DGCDRN O=C(c1ccnc(-c2ccccc2)n1)N1Cc2cccc(O)c2C1 ZINC001636231002 1194601506 /nfs/dbraw/zinc/60/15/06/1194601506.db2.gz MTHJMLBHSUOCHG-UHFFFAOYSA-N 0 0 317.348 3.005 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@H](C)C[C@H]1C ZINC001636263937 1194602937 /nfs/dbraw/zinc/60/29/37/1194602937.db2.gz VVNJWKJFQGEOSH-VNQPRFMTSA-N 0 0 317.477 3.432 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1cc2sccc2s1 ZINC001637034051 1194647130 /nfs/dbraw/zinc/64/71/30/1194647130.db2.gz DJKRFTSIBFZCIX-UHFFFAOYSA-N 0 0 305.380 3.304 20 10 DGCDRN CCc1ccc2occ(C(=O)NCc3cc(O)ccc3O)c2c1 ZINC001637126269 1194651656 /nfs/dbraw/zinc/65/16/56/1194651656.db2.gz QTFAIKSOFZYELB-UHFFFAOYSA-N 0 0 311.337 3.336 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1cc(F)c(F)cc1F ZINC001637227174 1194658142 /nfs/dbraw/zinc/65/81/42/1194658142.db2.gz QFDOPAQRNIQDCF-UHFFFAOYSA-N 0 0 315.678 3.393 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NCCCc2ccsc2)cc1 ZINC001637743531 1194684992 /nfs/dbraw/zinc/68/49/92/1194684992.db2.gz XTPSIAMEGYDMBS-UHFFFAOYSA-N 0 0 316.386 3.273 20 10 DGCDRN CCCCC[C@H](O)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001638243612 1194708146 /nfs/dbraw/zinc/70/81/46/1194708146.db2.gz JEJONXBOAZEMRK-QAPCUYQASA-N 0 0 320.477 3.049 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1cc(-c2ccccc2)ccn1 ZINC001638356163 1194713320 /nfs/dbraw/zinc/71/33/20/1194713320.db2.gz GYDQIAIMZNOTRF-UHFFFAOYSA-N 0 0 320.348 3.090 20 10 DGCDRN CCSc1ccc(CNC(=O)c2c(F)ccc(O)c2O)cc1 ZINC001639016970 1194747016 /nfs/dbraw/zinc/74/70/16/1194747016.db2.gz DEXBBQDHSCBWEX-UHFFFAOYSA-N 0 0 321.373 3.279 20 10 DGCDRN CN(C(=O)/C=C/c1cncc(O)c1)c1cccc2cccnc21 ZINC001639292009 1194759131 /nfs/dbraw/zinc/75/91/31/1194759131.db2.gz JTYDXZKZBSNQMM-BQYQJAHWSA-N 0 0 305.337 3.012 20 10 DGCDRN CSCc1cc(C(=O)NCc2c(O)cccc2O)ccc1F ZINC001639288941 1194759148 /nfs/dbraw/zinc/75/91/48/1194759148.db2.gz CDEWKOVGNPLNMG-UHFFFAOYSA-N 0 0 321.373 3.030 20 10 DGCDRN CC1(C)C[C@@]1(C(=O)NCc1c(O)cccc1O)c1ccccc1 ZINC001639292503 1194759173 /nfs/dbraw/zinc/75/91/73/1194759173.db2.gz GFBLCESJGRFYEM-IBGZPJMESA-N 0 0 311.381 3.082 20 10 DGCDRN CCOc1cc(Cl)ccc1C(=O)NCc1ccc(O)cc1O ZINC001639444327 1194766533 /nfs/dbraw/zinc/76/65/33/1194766533.db2.gz HLOFUQNNMNLHNJ-UHFFFAOYSA-N 0 0 321.760 3.080 20 10 DGCDRN C/C(=C/C(=O)NCc1ccc(O)cc1O)c1ccccc1Cl ZINC001639444475 1194766814 /nfs/dbraw/zinc/76/68/14/1194766814.db2.gz MXYGCIDOXGIODX-FLIBITNWSA-N 0 0 317.772 3.471 20 10 DGCDRN Cc1ccc([C@H](C)C(=O)NCc2ccc3cccnc3c2O)o1 ZINC001639621843 1194774238 /nfs/dbraw/zinc/77/42/38/1194774238.db2.gz WABQGXCDSTWBBK-LBPRGKRZSA-N 0 0 310.353 3.262 20 10 DGCDRN C[C@H](Cc1ccccc1)C(=O)NCc1ccc2cccnc2c1O ZINC001639625095 1194774265 /nfs/dbraw/zinc/77/42/65/1194774265.db2.gz XBJNAPKCOYNTOX-CQSZACIVSA-N 0 0 320.392 3.435 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc3C2)c(O)c1O ZINC001639850833 1194784578 /nfs/dbraw/zinc/78/45/78/1194784578.db2.gz ZEPDZYZATYWWGR-OAHLLOKOSA-N 0 0 311.381 3.084 20 10 DGCDRN CCCCc1cc(Sc2ncc(C(=O)OC)s2)ncn1 ZINC001639960470 1194788805 /nfs/dbraw/zinc/78/88/05/1194788805.db2.gz SODPYRBGEKJUCU-UHFFFAOYSA-N 0 0 309.416 3.214 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCc3ccccc32)cc1 ZINC001640990207 1194835041 /nfs/dbraw/zinc/83/50/41/1194835041.db2.gz HIWVRFXGANETPS-OAHLLOKOSA-N 0 0 308.341 3.266 20 10 DGCDRN Cc1ccoc1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001641439253 1194853932 /nfs/dbraw/zinc/85/39/32/1194853932.db2.gz KLSPVPMLCPVQLW-UHFFFAOYSA-N 0 0 300.318 3.023 20 10 DGCDRN Cc1cc(C(=O)COc2cncnc2)c(C)n1-c1ccccc1 ZINC001641468175 1194855618 /nfs/dbraw/zinc/85/56/18/1194855618.db2.gz RDKPOOMUEXKLSP-UHFFFAOYSA-N 0 0 307.353 3.146 20 10 DGCDRN CC(C)CC1(C)CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001642018073 1194884087 /nfs/dbraw/zinc/88/40/87/1194884087.db2.gz QRWYCBNGNIGFHN-UHFFFAOYSA-N 0 0 305.418 3.315 20 10 DGCDRN CC(C)Oc1ccc(N(C)Cc2cc(=O)[nH]c(C3CC3)n2)cc1 ZINC001642710491 1194931785 /nfs/dbraw/zinc/93/17/85/1194931785.db2.gz OCIBVFLZOHMKIX-UHFFFAOYSA-N 0 0 313.401 3.483 20 10 DGCDRN Cc1nc2ccc(C(=O)N[C@H](C)c3ccccc3O)cc2nc1C ZINC001642824044 1194943960 /nfs/dbraw/zinc/94/39/60/1194943960.db2.gz CUPUPJLKPBGDTH-CYBMUJFWSA-N 0 0 321.380 3.443 20 10 DGCDRN O=C(CCc1ccc(Cl)cc1)NCc1ccc(O)cc1O ZINC001643100880 1194991614 /nfs/dbraw/zinc/99/16/14/1194991614.db2.gz NPFTYQICAVHURH-UHFFFAOYSA-N 0 0 305.761 3.000 20 10 DGCDRN Cc1[nH]c2ccc(C(=O)NCc3ccc(O)cc3O)cc2c1C ZINC001643101200 1194992278 /nfs/dbraw/zinc/99/22/78/1194992278.db2.gz YKZHFRSYVKNKEC-UHFFFAOYSA-N 0 0 310.353 3.126 20 10 DGCDRN Cc1ccccc1CCC(=O)NCc1ccc2cccnc2c1O ZINC001643283530 1195010543 /nfs/dbraw/zinc/01/05/43/1195010543.db2.gz ZISZUTRVJZAREN-UHFFFAOYSA-N 0 0 320.392 3.498 20 10 DGCDRN C[C@@H](NC(=O)c1ccnc(Br)c1)c1ccccc1O ZINC001643738745 1195050848 /nfs/dbraw/zinc/05/08/48/1195050848.db2.gz OJNOXIQADKOUSK-SECBINFHSA-N 0 0 321.174 3.041 20 10 DGCDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)c1ccccc1O ZINC001643742048 1195051841 /nfs/dbraw/zinc/05/18/41/1195051841.db2.gz MCJDMFZQZJNXSE-SECBINFHSA-N 0 0 320.732 3.445 20 10 DGCDRN O=C(/C=C/c1ccc(Cl)s1)NCc1cccc(O)c1O ZINC001643812987 1195056317 /nfs/dbraw/zinc/05/63/17/1195056317.db2.gz VJJXXMMYBYKRPA-FNORWQNLSA-N 0 0 309.774 3.142 20 10 DGCDRN COC(=O)c1cc(OC[C@H]2C[C@H]3C=C[C@@H]2C3)ccc1N(C)C ZINC001644179495 1195087289 /nfs/dbraw/zinc/08/72/89/1195087289.db2.gz NWZZRNNRWPCHCK-BFHYXJOUSA-N 0 0 301.386 3.130 20 10 DGCDRN CC(C)Cc1ccc(C(=O)NCc2cc(O)ccc2O)s1 ZINC001644756835 1195132255 /nfs/dbraw/zinc/13/22/55/1195132255.db2.gz IWPGCFNKDHHHRC-UHFFFAOYSA-N 0 0 305.399 3.288 20 10 DGCDRN CN(C[C@H]1CCCC12CCOCC2)c1ccc2c(c1)OCO2 ZINC001644960458 1195146862 /nfs/dbraw/zinc/14/68/62/1195146862.db2.gz OEVIJUUXNLLHKC-CQSZACIVSA-N 0 0 303.402 3.448 20 10 DGCDRN Cc1c2cccc(F)c2oc1C(=O)NCc1c(O)cccc1O ZINC001645360724 1195178468 /nfs/dbraw/zinc/17/84/68/1195178468.db2.gz GJYSFMKDIXSIBW-UHFFFAOYSA-N 0 0 315.300 3.222 20 10 DGCDRN O=C(CCc1ccc2ccccc2n1)NCc1c(O)cccc1F ZINC001646028354 1195211159 /nfs/dbraw/zinc/21/11/59/1195211159.db2.gz GNYLPBHUEXLMKK-UHFFFAOYSA-N 0 0 324.355 3.329 20 10 DGCDRN Cc1ccc2c(c1)S[C@@H](C(=O)NCc1c(O)cccc1F)C2 ZINC001646033527 1195211464 /nfs/dbraw/zinc/21/14/64/1195211464.db2.gz AJPONKSCOWVOJD-MRXNPFEDSA-N 0 0 317.385 3.173 20 10 DGCDRN O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1cc2cc(O)c(O)cc2s1 ZINC001646376766 1195225881 /nfs/dbraw/zinc/22/58/81/1195225881.db2.gz BONFSYSGNFSCND-OUAUKWLOSA-N 0 0 317.410 3.479 20 10 DGCDRN Cc1ccc2[nH]c(CNCc3ccc(N(C)C)c(F)c3)nc2c1 ZINC001647037177 1195243005 /nfs/dbraw/zinc/24/30/05/1195243005.db2.gz QQPGCTQLZWKOPA-UHFFFAOYSA-N 0 0 312.392 3.366 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1ccc(-c2cccs2)o1 ZINC001647268796 1195247282 /nfs/dbraw/zinc/24/72/82/1195247282.db2.gz CQJMRZJJEOAXEM-UHFFFAOYSA-N 0 0 315.350 3.349 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1ccc2cc[nH]c2n1 ZINC001647790893 1195253402 /nfs/dbraw/zinc/25/34/02/1195253402.db2.gz BEOCVCPQUSYLIV-UHFFFAOYSA-N 0 0 317.348 3.352 20 10 DGCDRN CCO[C@H](C(=O)NCc1c(O)ccc2ccccc21)C(C)C ZINC001647791149 1195253523 /nfs/dbraw/zinc/25/35/23/1195253523.db2.gz LSCRZPHXFDLZRD-KRWDZBQOSA-N 0 0 301.386 3.223 20 10 DGCDRN Cc1ccc(OCC(=O)NCc2cccc(Cl)c2O)cc1 ZINC001647826871 1195256646 /nfs/dbraw/zinc/25/66/46/1195256646.db2.gz NFMYURQKNXUDQI-UHFFFAOYSA-N 0 0 305.761 3.049 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@H]1Cc2ccc(F)cc21 ZINC001647829949 1195257181 /nfs/dbraw/zinc/25/71/81/1195257181.db2.gz AQLQHMWXBCSMNZ-ZDUSSCGKSA-N 0 0 305.736 3.141 20 10 DGCDRN Cc1cc2c[nH]nc2c(C(=O)NCc2cccc(Cl)c2O)c1 ZINC001647826813 1195257294 /nfs/dbraw/zinc/25/72/94/1195257294.db2.gz KRVIJIWJQSPUFZ-UHFFFAOYSA-N 0 0 315.760 3.160 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nc1n[nH]nc1C ZINC001647864868 1195261262 /nfs/dbraw/zinc/26/12/62/1195261262.db2.gz BNTMRFDKVYQYPE-UHFFFAOYSA-N 0 0 309.373 3.081 20 10 DGCDRN CCOc1ccc(N(CC(=O)NCC2CCC2)CC2CC2)cc1 ZINC001648030530 1195271101 /nfs/dbraw/zinc/27/11/01/1195271101.db2.gz NWKIHOKWUJXWAU-UHFFFAOYSA-N 0 0 316.445 3.218 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001648059113 1195273995 /nfs/dbraw/zinc/27/39/95/1195273995.db2.gz YRFBDHXZGUWAEP-WKSPPQMESA-N 0 0 313.397 3.148 20 10 DGCDRN CC(C)(CCNC(=O)c1c(F)ccc(O)c1O)c1ccccc1 ZINC001648485370 1195304174 /nfs/dbraw/zinc/30/41/74/1195304174.db2.gz SSHNVIYQCFZPLV-UHFFFAOYSA-N 0 0 317.360 3.335 20 10 DGCDRN Cc1noc([C@@H](NCc2ccc(N(C)C)c(C)c2)C(C)C)n1 ZINC001648680835 1195321842 /nfs/dbraw/zinc/32/18/42/1195321842.db2.gz PPONJHZEHWRTIR-INIZCTEOSA-N 0 0 302.422 3.239 20 10 DGCDRN Cc1cc(F)c(CC(=O)N2Cc3cccc(O)c3C2)cc1F ZINC001650674582 1195370312 /nfs/dbraw/zinc/37/03/12/1195370312.db2.gz IDSMPJAIFCRXGW-UHFFFAOYSA-N 0 0 303.308 3.064 20 10 DGCDRN O=C(c1cnc(-c2cccnc2)s1)N1Cc2cccc(O)c2C1 ZINC001650674688 1195370550 /nfs/dbraw/zinc/37/05/50/1195370550.db2.gz LYRMGIOYKHLXSC-UHFFFAOYSA-N 0 0 323.377 3.067 20 10 DGCDRN COc1ccc2c(CC(=O)N3Cc4cccc(O)c4C3)coc2c1 ZINC001650672452 1195370784 /nfs/dbraw/zinc/37/07/84/1195370784.db2.gz LKPCHPIPOVIQRJ-UHFFFAOYSA-N 0 0 323.348 3.232 20 10 DGCDRN CC[C@@H](NCc1ccc2c(c1)CCCO2)C(=O)OC(C)(C)C ZINC001650682438 1195371463 /nfs/dbraw/zinc/37/14/63/1195371463.db2.gz FYNIRRPVXMMEOW-OAHLLOKOSA-N 0 0 305.418 3.222 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2COc3ccc(Cl)cc32)c1 ZINC001650753525 1195378410 /nfs/dbraw/zinc/37/84/10/1195378410.db2.gz LACKYYYJAFNBMR-CYBMUJFWSA-N 0 0 320.732 3.177 20 10 DGCDRN CC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])Cc2ccccc2C1 ZINC001650774034 1195381163 /nfs/dbraw/zinc/38/11/63/1195381163.db2.gz JQAAYCDLKZWMLX-UHFFFAOYSA-N 0 0 312.369 3.195 20 10 DGCDRN CCSc1ccc(CNC(=O)c2cccc(O)c2O)cc1 ZINC001651007073 1195403328 /nfs/dbraw/zinc/40/33/28/1195403328.db2.gz UUONTDRVBQCPPS-UHFFFAOYSA-N 0 0 303.383 3.140 20 10 DGCDRN C[C@H]1CC[C@@](C)(CNC(=O)c2c(F)ccc(O)c2O)C1(C)C ZINC001651139081 1195418902 /nfs/dbraw/zinc/41/89/02/1195418902.db2.gz CKSMFYZTVPNWHP-BTDLBPIBSA-N 0 0 309.381 3.429 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1cc2ccccc2cc1F ZINC001651175562 1195423727 /nfs/dbraw/zinc/42/37/27/1195423727.db2.gz CIHIXDZNZYCACE-UHFFFAOYSA-N 0 0 311.312 3.320 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CC[C@@H](CC(C)C)C2)cc1OC ZINC001651582724 1195482190 /nfs/dbraw/zinc/48/21/90/1195482190.db2.gz HSOKABMIAOYGCE-LBPRGKRZSA-N 0 0 308.378 3.484 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@H]2C[C@@H]2Cc2ccccc2)c1 ZINC001651691158 1195498354 /nfs/dbraw/zinc/49/83/54/1195498354.db2.gz OGGISCMWTVARKX-LSDHHAIUSA-N 0 0 312.369 3.269 20 10 DGCDRN CC(C)c1ccc(O)c(CN2CCc3ccccc3[C@H]2C(N)=O)c1 ZINC001651919540 1195522911 /nfs/dbraw/zinc/52/29/11/1195522911.db2.gz QFDGQCNFVRJKPD-IBGZPJMESA-N 0 0 324.424 3.100 20 10 DGCDRN Cc1cc([N+](=O)[O-])cnc1NCc1ccc2cccnc2c1O ZINC001651958812 1195528132 /nfs/dbraw/zinc/52/81/32/1195528132.db2.gz KRRKXWRYQPXCBX-UHFFFAOYSA-N 0 0 310.313 3.164 20 10 DGCDRN Cc1cc(Cl)ccc1OCC(=O)NCc1c(O)cccc1F ZINC001652295770 1195577483 /nfs/dbraw/zinc/57/74/83/1195577483.db2.gz RTJXBZJMPWHLLN-UHFFFAOYSA-N 0 0 323.751 3.188 20 10 DGCDRN COC(=O)/C=C/c1ccc(N2CC[C@H]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC001652330370 1195583715 /nfs/dbraw/zinc/58/37/15/1195583715.db2.gz RRLPRQODIZGZKL-VFADXPBXSA-N 0 0 318.373 3.406 20 10 DGCDRN COCCN(Cc1cc(C)cc(OC)c1O)c1ccccc1 ZINC001652471838 1195602147 /nfs/dbraw/zinc/60/21/47/1195602147.db2.gz RQUBYUIOKJZNTJ-UHFFFAOYSA-N 0 0 301.386 3.362 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC001652548432 1195616349 /nfs/dbraw/zinc/61/63/49/1195616349.db2.gz MDNTZPIKYJHYAQ-HNNXBMFYSA-N 0 0 313.731 3.147 20 10 DGCDRN CCn1cc(C(=O)NCc2c(O)cccc2O)c2ccccc21 ZINC001652623622 1195627883 /nfs/dbraw/zinc/62/78/83/1195627883.db2.gz XWRWOUZJULZLDK-UHFFFAOYSA-N 0 0 310.353 3.002 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1[nH]nc2ccccc21 ZINC001652705364 1195638441 /nfs/dbraw/zinc/63/84/41/1195638441.db2.gz BWGBEHWMETYMBJ-UHFFFAOYSA-N 0 0 317.348 3.352 20 10 DGCDRN CC(=O)c1cc(C(=O)NCc2c(O)ccc3ccccc32)n(C)c1 ZINC001652705769 1195638689 /nfs/dbraw/zinc/63/86/89/1195638689.db2.gz NPJJNCZQMWEZBI-UHFFFAOYSA-N 0 0 322.364 3.017 20 10 DGCDRN Cc1cc(CC(=O)N2CC(=O)CC[C@@H]2C)c(C)n1-c1ccccc1 ZINC001653103472 1195688299 /nfs/dbraw/zinc/68/82/99/1195688299.db2.gz OEKYAICSIXKXSY-AWEZNQCLSA-N 0 0 324.424 3.217 20 10 DGCDRN Cc1cc(O)c(CN2CC(C(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001653252494 1195703994 /nfs/dbraw/zinc/70/39/94/1195703994.db2.gz FAZHOIBIISTWDH-UHFFFAOYSA-N 0 0 311.809 3.128 20 10 DGCDRN Cc1cc(C(=O)Nc2c[nH][nH]c2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC001654603330 1195821613 /nfs/dbraw/zinc/82/16/13/1195821613.db2.gz JPPZOPFRZKAIHA-UHFFFAOYSA-N 0 0 324.384 3.392 20 10 DGCDRN CC[C@@H](Cc1ccc(F)cc1)NC(=O)c1c(F)ccc(O)c1O ZINC001654717216 1195832502 /nfs/dbraw/zinc/83/25/02/1195832502.db2.gz WVZRXGCNIAEQGX-LBPRGKRZSA-N 0 0 321.323 3.127 20 10 DGCDRN O=C(c1c(F)ccc(O)c1O)N1CCC[C@@H](C2CCC2)CC1 ZINC001654783264 1195840891 /nfs/dbraw/zinc/84/08/91/1195840891.db2.gz MIRMZSHRXVOIJC-GFCCVEGCSA-N 0 0 307.365 3.279 20 10 DGCDRN CCCOc1ccnc(N[C@H](C)c2cc(OC)ccc2O)n1 ZINC001655106843 1195876979 /nfs/dbraw/zinc/87/69/79/1195876979.db2.gz GFCMAJVYBCLYBG-LLVKDONJSA-N 0 0 303.362 3.153 20 10 DGCDRN COC(=O)/C=C/c1ccc(N(C)[C@@H](C)C2(C)CC2)c([N+](=O)[O-])c1 ZINC001655223615 1195892950 /nfs/dbraw/zinc/89/29/50/1195892950.db2.gz GVVYHJXWBNBIOF-WMADIVHISA-N 0 0 318.373 3.406 20 10 DGCDRN COCCOC(=O)Oc1ccc2c(c1)c1c(n2C)CCCC1 ZINC001655775422 1195961520 /nfs/dbraw/zinc/96/15/20/1195961520.db2.gz UWSBKXVZINTBMS-UHFFFAOYSA-N 0 0 303.358 3.219 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1cccc(F)c1F ZINC001655950896 1195982103 /nfs/dbraw/zinc/98/21/03/1195982103.db2.gz VTCMQXUKMOEBID-SECBINFHSA-N 0 0 308.284 3.429 20 10 DGCDRN COC(=O)c1cnc(SCCc2nc3ccccc3[nH]2)s1 ZINC001656581458 1196051896 /nfs/dbraw/zinc/05/18/96/1196051896.db2.gz YJUOYUMFJVTFRF-UHFFFAOYSA-N 0 0 319.411 3.141 20 10 DGCDRN CC1(C)CO[C@H](CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001656960821 1196087259 /nfs/dbraw/zinc/08/72/59/1196087259.db2.gz VRIWYKNAHDOWKV-GFCCVEGCSA-N 0 0 301.789 3.480 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1COc2ccccc2C1 ZINC001657172162 1196115054 /nfs/dbraw/zinc/11/50/54/1196115054.db2.gz FYVFWRCRZCMPFF-ZDUSSCGKSA-N 0 0 307.752 3.278 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1cc(F)cnc1Cl ZINC001657456748 1196144153 /nfs/dbraw/zinc/14/41/53/1196144153.db2.gz ZTQVOUDZQGSUPB-UHFFFAOYSA-N 0 0 302.683 3.148 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[NH2+][C@H]1C=CCCC1 ZINC001657465537 1196145005 /nfs/dbraw/zinc/14/50/05/1196145005.db2.gz HSLDVKOPJSNAQH-NSHDSACASA-N 0 0 300.171 3.492 20 10 DGCDRN O=C1CC[C@@H](c2cccc(NCc3cc(F)cc(F)c3O)c2)N1 ZINC001657543532 1196153431 /nfs/dbraw/zinc/15/34/31/1196153431.db2.gz CVNTYRIZVNXUBX-HNNXBMFYSA-N 0 0 318.323 3.234 20 10 DGCDRN COCCCn1ccc(NCc2ccc(N3CCCC3)cc2)n1 ZINC001657560641 1196154845 /nfs/dbraw/zinc/15/48/45/1196154845.db2.gz RDWOXTHNUQGIFU-UHFFFAOYSA-N 0 0 314.433 3.132 20 10 DGCDRN CCOCc1cc(CN[C@H](C)c2nnc(C)s2)ccc1OC ZINC001657755852 1196175475 /nfs/dbraw/zinc/17/54/75/1196175475.db2.gz HBEHQZOXMKFGLU-LLVKDONJSA-N 0 0 321.446 3.242 20 10 DGCDRN CN(C)c1ccc(/C=C\CNc2cccc3c2CNC3=O)cc1 ZINC001657921304 1196193599 /nfs/dbraw/zinc/19/35/99/1196193599.db2.gz HIOKMKUHOCHYOX-PLNGDYQASA-N 0 0 307.397 3.121 20 10 DGCDRN CCN(Cc1ccccc1)c1ccc(CNn2cnnc2)cc1 ZINC001658100609 1196211375 /nfs/dbraw/zinc/21/13/75/1196211375.db2.gz JGLIZQMGMJZLCC-UHFFFAOYSA-N 0 0 307.401 3.048 20 10 DGCDRN CCc1cccc(CNc2cccc(OC(=O)NC)c2)c1O ZINC001658182673 1196222545 /nfs/dbraw/zinc/22/25/45/1196222545.db2.gz VQAMOOQZTAEHFW-UHFFFAOYSA-N 0 0 300.358 3.285 20 10 DGCDRN O=C1CCN(Cc2cc(F)c(F)cc2O)c2ccc(F)cc2N1 ZINC001658245286 1196229999 /nfs/dbraw/zinc/22/99/99/1196229999.db2.gz ZFBKHVANKCWXAX-UHFFFAOYSA-N 0 0 322.286 3.158 20 10 DGCDRN COc1ccc(C[C@@H]2CC[N@@H+]2Cc2cccc(F)c2[O-])cc1 ZINC001658418379 1196254558 /nfs/dbraw/zinc/25/45/58/1196254558.db2.gz WQGDVYUKFMVTBE-HNNXBMFYSA-N 0 0 301.361 3.357 20 10 DGCDRN COc1ccc(N(C)Cc2cccc3[nH]c(=O)oc32)cc1OC ZINC001658440741 1196255786 /nfs/dbraw/zinc/25/57/86/1196255786.db2.gz LXCSDFAYOCIPMR-UHFFFAOYSA-N 0 0 314.341 3.187 20 10 DGCDRN CN(C)c1ccc(/C=C/CN2c3ccccc3C[C@H]2CO)cc1 ZINC001658440464 1196256030 /nfs/dbraw/zinc/25/60/30/1196256030.db2.gz HMRCBYSDVDRGPG-UEKDZROGSA-N 0 0 308.425 3.189 20 10 DGCDRN CCOC(=O)CC[N@H+](Cc1cc(Cl)c(F)cc1[O-])C(C)C ZINC001658453300 1196258635 /nfs/dbraw/zinc/25/86/35/1196258635.db2.gz BPHXGEOIQKCXHY-UHFFFAOYSA-N 0 0 317.788 3.348 20 10 DGCDRN C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC001658596889 1196277722 /nfs/dbraw/zinc/27/77/22/1196277722.db2.gz RHUBIEANIGGLLR-JTQLQIEISA-N 0 0 317.301 3.059 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1cccn1C(F)F ZINC001658756394 1196297025 /nfs/dbraw/zinc/29/70/25/1196297025.db2.gz DOXJWMQQPFLWRQ-UHFFFAOYSA-N 0 0 307.344 3.348 20 10 DGCDRN COc1ccc(N(C)C[C@@H]2C[C@@]2(C)Br)cc1F ZINC001658806576 1196303531 /nfs/dbraw/zinc/30/35/31/1196303531.db2.gz AQFIQHDMBQZCIG-TVQRCGJNSA-N 0 0 302.187 3.444 20 10 DGCDRN C[C@@H]1COc2ccccc2CN1Cc1cc(F)c(F)cc1O ZINC001658831238 1196306590 /nfs/dbraw/zinc/30/65/90/1196306590.db2.gz VORIGRGHVXZXKA-LLVKDONJSA-N 0 0 305.324 3.454 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC001658960141 1196325040 /nfs/dbraw/zinc/32/50/40/1196325040.db2.gz PCCOFMZFECAWHO-ZDUSSCGKSA-N 0 0 311.372 3.309 20 10 DGCDRN CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1cc(F)cc(F)c1[O-] ZINC001658973694 1196327278 /nfs/dbraw/zinc/32/72/78/1196327278.db2.gz CCFQMIDPLZDCDV-INIZCTEOSA-N 0 0 321.367 3.444 20 10 DGCDRN CCC[N@H+](CCN1CCCCC1)Cc1ccc(F)c(F)c1[O-] ZINC001659182812 1196356909 /nfs/dbraw/zinc/35/69/09/1196356909.db2.gz GVDMFJVYRQIOOL-UHFFFAOYSA-N 0 0 312.404 3.368 20 10 DGCDRN COc1cc(C)c(CN2CC(C)(C)[C@H]2c2nccn2C)c(O)c1 ZINC001659259357 1196364243 /nfs/dbraw/zinc/36/42/43/1196364243.db2.gz RHZFXOUPRIPGDN-MRXNPFEDSA-N 0 0 315.417 3.026 20 10 DGCDRN CCOCc1nc([C@@H](C)NCc2cc(C(C)C)ccc2O)no1 ZINC001659342139 1196373480 /nfs/dbraw/zinc/37/34/80/1196373480.db2.gz BDMMKIUZSOMVLA-GFCCVEGCSA-N 0 0 319.405 3.286 20 10 DGCDRN O=C1NCCc2c(NCc3cc(Cl)c(F)cc3O)cccc21 ZINC001659447859 1196384929 /nfs/dbraw/zinc/38/49/29/1196384929.db2.gz LZDUGUAYTPQJJP-UHFFFAOYSA-N 0 0 320.751 3.083 20 10 DGCDRN C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1cccc(F)c1[O-] ZINC001659483785 1196387243 /nfs/dbraw/zinc/38/72/43/1196387243.db2.gz MULRTKCFTAWZKS-TZMCWYRMSA-N 0 0 323.408 3.474 20 10 DGCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@]1(OC)CCOC1 ZINC001659493169 1196389214 /nfs/dbraw/zinc/38/92/14/1196389214.db2.gz YTXORUSYTOOXSE-QFBILLFUSA-N 0 0 319.445 3.135 20 10 DGCDRN CCOC(=O)C[C@@](C)([NH2+]Cc1cc(F)c(F)cc1[O-])C(C)C ZINC001659551604 1196395351 /nfs/dbraw/zinc/39/53/51/1196395351.db2.gz QEIZNNUJYVTNBU-MRXNPFEDSA-N 0 0 315.360 3.128 20 10 DGCDRN Cc1cc(O)c(CNc2ccc3c(c2)CCNC3=O)cc1Cl ZINC001659645559 1196402972 /nfs/dbraw/zinc/40/29/72/1196402972.db2.gz DLDOVVOTMNQEQY-UHFFFAOYSA-N 0 0 316.788 3.252 20 10 DGCDRN COc1cc(NCc2ccc(N(C)C)cc2C)cnc1OC ZINC001659679095 1196405452 /nfs/dbraw/zinc/40/54/52/1196405452.db2.gz YTMKOUQUOSFWEH-UHFFFAOYSA-N 0 0 301.390 3.085 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(F)c(F)cc1[O-])c1ccc2[nH]c(=O)oc2c1 ZINC001659766588 1196413273 /nfs/dbraw/zinc/41/32/73/1196413273.db2.gz MHCXFMJSHXRWGV-QMMMGPOBSA-N 0 0 320.295 3.368 20 10 DGCDRN C[C@H]([NH2+]Cc1cccc(F)c1[O-])c1ccc2[nH]c(=O)oc2c1 ZINC001659767644 1196413280 /nfs/dbraw/zinc/41/32/80/1196413280.db2.gz YVXHALVDRSUFEH-VIFPVBQESA-N 0 0 302.305 3.229 20 10 DGCDRN CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3ccc(Cl)cc3[O-])C2)n1 ZINC001660107625 1196446029 /nfs/dbraw/zinc/44/60/29/1196446029.db2.gz RPURGIBVUTUNLB-ZWNOBZJWSA-N 0 0 321.808 3.417 20 10 DGCDRN C[C@@]1([NH2+]Cc2cc(F)c(F)cc2[O-])CCOc2ccccc21 ZINC001660766390 1196521657 /nfs/dbraw/zinc/52/16/57/1196521657.db2.gz KSBLNSMVAHEXTG-QGZVFWFLSA-N 0 0 305.324 3.458 20 10 DGCDRN CN(C)C1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCCC1 ZINC001660805496 1196528132 /nfs/dbraw/zinc/52/81/32/1196528132.db2.gz VZSNHMAHPWLYRE-UHFFFAOYSA-N 0 0 300.805 3.149 20 10 DGCDRN COc1cccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC001661054816 1196559391 /nfs/dbraw/zinc/55/93/91/1196559391.db2.gz UFAZOHVQGGTVEX-NSHDSACASA-N 0 0 302.330 3.160 20 10 DGCDRN CC(=O)c1cc(NC(=O)NCc2c(O)cccc2F)ccc1F ZINC001661625984 1196625457 /nfs/dbraw/zinc/62/54/57/1196625457.db2.gz CZQAGYNEEARMKM-UHFFFAOYSA-N 0 0 320.295 3.195 20 10 DGCDRN CC(=O)Nc1ccc(NC/C=C/c2ccc(N(C)C)cc2)nc1 ZINC001662193800 1196693126 /nfs/dbraw/zinc/69/31/26/1196693126.db2.gz BTFVRMJDIAGICK-SNAWJCMRSA-N 0 0 310.401 3.231 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNc1cccc2c1OCC(=O)N2 ZINC001662575426 1196731103 /nfs/dbraw/zinc/73/11/03/1196731103.db2.gz GAICGPLSZFCPCC-UHFFFAOYSA-N 0 0 321.380 3.430 20 10 DGCDRN C[C@H]1CC[C@@H]1NC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001662815408 1196754534 /nfs/dbraw/zinc/75/45/34/1196754534.db2.gz RNQTZYOQBZGIRN-STQMWFEESA-N 0 0 321.384 3.316 20 10 DGCDRN CCOC(=O)CN(Cc1cc(C(C)C)ccc1O)C1CCC1 ZINC001664190203 1196978590 /nfs/dbraw/zinc/97/85/90/1196978590.db2.gz UOHATAVJXKLMAZ-UHFFFAOYSA-N 0 0 305.418 3.433 20 10 DGCDRN COC(=O)c1c(CN2CCC=C(F)C2)c2cc(F)ccc2n1C ZINC001664230518 1196982124 /nfs/dbraw/zinc/98/21/24/1196982124.db2.gz XDLFHMHYNQBGMP-UHFFFAOYSA-N 0 0 320.339 3.163 20 10 DGCDRN COC(=O)[C@@H](C[NH2+]Cc1c(O)cc(C)cc1Cl)CC(C)C ZINC001664891973 1197077377 /nfs/dbraw/zinc/07/73/77/1197077377.db2.gz NDKFJQSFONGRNI-GFCCVEGCSA-N 0 0 313.825 3.279 20 10 DGCDRN Cc1ccc(CN([C@H](C)C(=O)OC(C)(C)C)C2CC2)c(O)c1 ZINC001664978920 1197083234 /nfs/dbraw/zinc/08/32/34/1197083234.db2.gz MFMNQSYUXFMZNG-CYBMUJFWSA-N 0 0 305.418 3.395 20 10 DGCDRN Oc1cc(Cl)ccc1CNc1ccccc1-n1nccn1 ZINC001665683133 1197170559 /nfs/dbraw/zinc/17/05/59/1197170559.db2.gz PXEJYVNLIXIAMK-UHFFFAOYSA-N 0 0 300.749 3.238 20 10 DGCDRN COc1nc2ccccc2cc1C[NH2+]Cc1c([O-])cccc1F ZINC001665712920 1197179539 /nfs/dbraw/zinc/17/95/39/1197179539.db2.gz VGYKVJVIQQUJNC-UHFFFAOYSA-N 0 0 312.344 3.378 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)Nc1ccc2c(c1)OCO2 ZINC001667035787 1197309841 /nfs/dbraw/zinc/30/98/41/1197309841.db2.gz YUXMCHLMTJPJIJ-UHFFFAOYSA-N 0 0 320.732 3.096 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCc3c2cccc3C)c1 ZINC001668632354 1197422423 /nfs/dbraw/zinc/42/24/23/1197422423.db2.gz OWMIOUFCGMXKNX-QGZVFWFLSA-N 0 0 310.397 3.496 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H]1CC=CCC1 ZINC001669294279 1197447709 /nfs/dbraw/zinc/44/77/09/1197447709.db2.gz MPNOSDOSRJJXBU-NVXWUHKLSA-N 0 0 315.461 3.400 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc(Cl)nc2C)c1 ZINC001669495917 1197458932 /nfs/dbraw/zinc/45/89/32/1197458932.db2.gz HHDUBXLELVHXRZ-UHFFFAOYSA-N 0 0 305.765 3.379 20 10 DGCDRN CC[C@@H]1C[C@H]1NC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001672169810 1197594274 /nfs/dbraw/zinc/59/42/74/1197594274.db2.gz TZOKPRUIGBHIKJ-JJRVBVJISA-N 0 0 303.450 3.090 20 10 DGCDRN CCOc1ccc(NC(=O)NCc2c(O)cccc2F)cc1F ZINC001673658688 1197685960 /nfs/dbraw/zinc/68/59/60/1197685960.db2.gz XNGCQBNXIDLPAS-UHFFFAOYSA-N 0 0 322.311 3.391 20 10 DGCDRN COc1ccc(NC(=O)N(C)Cc2ccccc2O)c(F)c1 ZINC001674207933 1197747133 /nfs/dbraw/zinc/74/71/33/1197747133.db2.gz AHPHMOGKHALRCN-UHFFFAOYSA-N 0 0 304.321 3.204 20 10 DGCDRN C[C@H](NC(=O)NCCc1ccccc1F)c1ccccc1O ZINC001676870298 1198417953 /nfs/dbraw/zinc/41/79/53/1198417953.db2.gz OXBUBUJGKFVGTN-LBPRGKRZSA-N 0 0 302.349 3.134 20 10 DGCDRN CN(C[C@@H]1CC1(C)C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC001677847708 1198594336 /nfs/dbraw/zinc/59/43/36/1198594336.db2.gz QJRBVXNAWZODDI-INIZCTEOSA-N 0 0 315.461 3.257 20 10 DGCDRN Cc1c(Cl)cncc1NC(=O)N(C)Cc1ccccc1O ZINC001678076273 1198630552 /nfs/dbraw/zinc/63/05/52/1198630552.db2.gz KFJPUDPWDSEYDZ-UHFFFAOYSA-N 0 0 305.765 3.413 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCCc2ccc3[nH]ccc3c2)c1 ZINC001680462116 1198883640 /nfs/dbraw/zinc/88/36/40/1198883640.db2.gz YVPQUQOLJVVSQX-UHFFFAOYSA-N 0 0 323.396 3.224 20 10 DGCDRN Cc1cccc([C@H](C)NC(=O)NCc2c(O)cccc2F)c1 ZINC001680709759 1198910407 /nfs/dbraw/zinc/91/04/07/1198910407.db2.gz RXIWCSGDJNYXHW-LBPRGKRZSA-N 0 0 302.349 3.400 20 10 DGCDRN COC[C@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC001681551018 1199032475 /nfs/dbraw/zinc/03/24/75/1199032475.db2.gz BOOJHGHZEXKCBE-HOCLYGCPSA-N 0 0 321.465 3.031 20 10 DGCDRN O=C(NCc1c(O)cccc1F)NCC1(C2CCC2)CCC1 ZINC001683139977 1199240348 /nfs/dbraw/zinc/24/03/48/1199240348.db2.gz ZQMYXHKYFMFPNN-UHFFFAOYSA-N 0 0 306.381 3.301 20 10 DGCDRN CSCCNC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001683963693 1199324105 /nfs/dbraw/zinc/32/41/05/1199324105.db2.gz AAIIINRNOPBCCX-UHFFFAOYSA-N 0 0 317.458 3.256 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC001684670513 1199405039 /nfs/dbraw/zinc/40/50/39/1199405039.db2.gz WFYAHUDBVWREGF-UKPHBRMFSA-N 0 0 314.429 3.259 20 10 DGCDRN O=C(NCc1c(F)cc(F)cc1F)N1Cc2cccc(O)c2C1 ZINC001685172361 1199451255 /nfs/dbraw/zinc/45/12/55/1199451255.db2.gz WUIPJZCCAHLWLK-UHFFFAOYSA-N 0 0 322.286 3.035 20 10 DGCDRN C[C@H](NC(=O)NCc1ccccc1O)[C@@H]1CC2CCC1CC2 ZINC001686933500 1199602110 /nfs/dbraw/zinc/60/21/10/1199602110.db2.gz PJAXFHDPNDXESO-USPMSXPRSA-N 0 0 302.418 3.406 20 10 DGCDRN CCCn1c(-c2ccccn2)nnc1N(C)Cc1ccccc1O ZINC001709748036 1202590711 /nfs/dbraw/zinc/59/07/11/1202590711.db2.gz KTCAPIZNSZMQQI-UHFFFAOYSA-N 0 0 323.400 3.092 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1C=CCCC1 ZINC000158715240 1202603875 /nfs/dbraw/zinc/60/38/75/1202603875.db2.gz NAKHOUUDOQMZGO-AWEZNQCLSA-N 0 0 300.402 3.179 20 10 DGCDRN COc1ccc(C)cc1NC(=S)NCc1cc(C)ccn1 ZINC000243461706 1203589404 /nfs/dbraw/zinc/58/94/04/1203589404.db2.gz NHMILIKTKQHAJE-UHFFFAOYSA-N 0 0 301.415 3.194 20 10 DGCDRN CCN1CCN(C(=O)/C=C/c2cnc(C)s2)c2ccccc21 ZINC000171997814 1203859742 /nfs/dbraw/zinc/85/97/42/1203859742.db2.gz MHOJCLFKONBZBR-CMDGGOBGSA-N 0 0 313.426 3.338 20 10 DGCDRN O=C([O-])CCC1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001350441558 962542348 /nfs/dbraw/zinc/54/23/48/962542348.db2.gz GBXRRWJVHOWBHA-UHFFFAOYSA-N 0 0 316.445 3.364 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C(=O)[O-])c1ccc(N(C)C)cc1 ZINC000316310521 964001923 /nfs/dbraw/zinc/00/19/23/964001923.db2.gz KLVDBCIKEFEJKH-LXZKKBNFSA-N 0 0 304.434 3.294 20 10 DGCDRN COc1cc(C[N@H+]([C@H](C)C(=O)[O-])C2CC2)c(O)c(C(C)(C)C)c1 ZINC001604703084 973906706 /nfs/dbraw/zinc/90/67/06/973906706.db2.gz VGVGUHPHNGDMTL-LLVKDONJSA-N 0 0 321.417 3.136 20 10 DGCDRN CC(C)c1ccc(O)c(C[NH2+]CCc2ncc(C(=O)[O-])s2)c1 ZINC001591973901 976581857 /nfs/dbraw/zinc/58/18/57/976581857.db2.gz JBABSZDSMWQNDJ-UHFFFAOYSA-N 0 0 320.414 3.003 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)COc1ccccc1)c1cc(C(=O)[O-])ccc1O ZINC001592782808 979419945 /nfs/dbraw/zinc/41/99/45/979419945.db2.gz MBPSHKDUXAPRPV-QWHCGFSZSA-N 0 0 315.369 3.209 20 10 DGCDRN CC[C@@H]([NH2+][C@@H]1CC[C@H](CC(=O)[O-])C1)c1ccc(N(C)C)cc1 ZINC001595317079 980488440 /nfs/dbraw/zinc/48/84/40/980488440.db2.gz MNAGLQXAOIELEE-YSVLISHTSA-N 0 0 304.434 3.437 20 10 DGCDRN CCc1cccc(C[N@@H+]2CCc3cc(C(=O)[O-])ccc3C2)c1O ZINC001597587508 988412488 /nfs/dbraw/zinc/41/24/88/988412488.db2.gz ZXKLIXMYNSNVPN-UHFFFAOYSA-N 0 0 311.381 3.211 20 10 DGCDRN CN(C)c1ccc(C[NH2+][C@]2(C(=O)[O-])CCCC(C)(C)C2)cc1 ZINC001598320676 991319042 /nfs/dbraw/zinc/31/90/42/991319042.db2.gz MASGQQWCZBICHU-GOSISDBHSA-N 0 0 304.434 3.266 20 10 DGCDRN C[C@H]([NH2+][C@@H]1C[C@@H]1Cc1ccccc1)c1cc(C(=O)[O-])ccc1O ZINC001593218483 994286559 /nfs/dbraw/zinc/28/65/59/994286559.db2.gz GKFHVWOFOPTABV-YLQAJVPDSA-N 0 0 311.381 3.372 20 10 DGCDRN C[C@H]([NH2+]CC[C@H]1CCC2(CCC2)O1)c1cc(C(=O)[O-])ccc1O ZINC001593265844 994575827 /nfs/dbraw/zinc/57/58/27/994575827.db2.gz YIVYMZUOOYFPOY-GXTWGEPZSA-N 0 0 319.401 3.233 20 10 DGCDRN C[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1cc(C(=O)[O-])ccc1O ZINC001593276196 994631199 /nfs/dbraw/zinc/63/11/99/994631199.db2.gz XYSVYPMSCQVHTP-GFCCVEGCSA-N 0 0 324.380 3.465 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCCc2cccnc21)c1cc(C(=O)[O-])ccc1O ZINC001593354389 994990447 /nfs/dbraw/zinc/99/04/47/994990447.db2.gz OSAOANZVVKDIJC-IAQYHMDHSA-N 0 0 312.369 3.214 20 10 DGCDRN C[C@H]1C[N@@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])CC[C@@H]1C ZINC001594422536 999574746 /nfs/dbraw/zinc/57/47/46/999574746.db2.gz GHQQLBGYIZSYKE-RYUDHWBXSA-N 0 0 318.392 3.494 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2Cl)CC[C@@]1(C)O ZINC001237078101 1099958828 /nfs/dbraw/zinc/95/88/28/1099958828.db2.gz NSPZCTIWJMDGPA-YMTOWFKASA-N 0 0 304.217 3.292 20 10 DGCDRN O=C1CCCN(Cc2c(O)ccc(Cl)c2Cl)C[C@@H]1F ZINC001237078757 1099959922 /nfs/dbraw/zinc/95/99/22/1099959922.db2.gz WOJZVZNLRYCWEP-JTQLQIEISA-N 0 0 306.164 3.202 20 10 DGCDRN CC(C)(O)[C@H]1CCC[N@@H+]1Cc1c([O-])ccc(Cl)c1Cl ZINC001237084586 1099962343 /nfs/dbraw/zinc/96/23/43/1099962343.db2.gz LHWGUBYPBFMNBH-GFCCVEGCSA-N 0 0 304.217 3.434 20 10 DGCDRN Oc1ccc(CNc2ccc(COCC3CC3)cn2)cc1O ZINC001169990727 1081793230 /nfs/dbraw/zinc/79/32/30/1081793230.db2.gz MNGDVCDQLGHRLQ-UHFFFAOYSA-N 0 0 300.358 3.032 20 10 DGCDRN Cc1nc2ccc(NCc3ccc(O)c(O)c3)nc2n1C(C)C ZINC001169992701 1081795267 /nfs/dbraw/zinc/79/52/67/1081795267.db2.gz BFJCBTGADGVOGY-UHFFFAOYSA-N 0 0 312.373 3.344 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000691476184 1081867968 /nfs/dbraw/zinc/86/79/68/1081867968.db2.gz IKTZASICDGLRLA-DGCLKSJQSA-N 0 0 302.201 3.356 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)C(F)(F)c2ccc(F)cc2)c1 ZINC001167293480 1081913297 /nfs/dbraw/zinc/91/32/97/1081913297.db2.gz FTZBNDMERQOBPZ-UHFFFAOYSA-N 0 0 309.287 3.248 20 10 DGCDRN CNS(=O)(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1 ZINC000034273828 1081931932 /nfs/dbraw/zinc/93/19/32/1081931932.db2.gz OYLPYBIQCBFBNP-ISLYRVAYSA-N 0 0 318.402 3.076 20 10 DGCDRN C[C@@H](NC(=O)c1cccc(Br)n1)c1ccccc1O ZINC001648889971 1081953991 /nfs/dbraw/zinc/95/39/91/1081953991.db2.gz UZRQUPNJHOVUQZ-SECBINFHSA-N 0 0 321.174 3.041 20 10 DGCDRN C[C@H](NC(=O)Cc1ccc(OC(F)F)cc1)c1ccccc1O ZINC001648891539 1081955677 /nfs/dbraw/zinc/95/56/77/1081955677.db2.gz AVIKIGFZCOLZSA-NSHDSACASA-N 0 0 321.323 3.414 20 10 DGCDRN Cc1nc(Cl)cc(NCCc2cc(O)c(O)cc2O)c1C ZINC001157246166 1081997425 /nfs/dbraw/zinc/99/74/25/1081997425.db2.gz RRFJFGCEMZYWLV-UHFFFAOYSA-N 0 0 308.765 3.123 20 10 DGCDRN COc1cc(SC)c(-c2ccn(CC(C)C)c(=O)c2)cn1 ZINC001243049046 1082043469 /nfs/dbraw/zinc/04/34/69/1082043469.db2.gz KAPHDRVNJGQSCY-UHFFFAOYSA-N 0 0 304.415 3.297 20 10 DGCDRN CN1CCCc2cc(CNC(=O)/C=C\c3ccc(O)cc3)ccc21 ZINC000588416162 1082187962 /nfs/dbraw/zinc/18/79/62/1082187962.db2.gz JMZLLXMCUNYAFN-XFFZJAGNSA-N 0 0 322.408 3.104 20 10 DGCDRN COc1ccc(N(C)C(=O)/C(C)=C\c2cccnc2)cc1OC ZINC001125533377 1082236343 /nfs/dbraw/zinc/23/63/43/1082236343.db2.gz DNUXNYYPLUQHBJ-RAXLEYEMSA-N 0 0 312.369 3.165 20 10 DGCDRN Cc1ccc(NCC(=O)c2ccc(O)c(O)c2)c2ncccc12 ZINC001170323481 1082346338 /nfs/dbraw/zinc/34/63/38/1082346338.db2.gz ZBKIXECBWWTSGQ-UHFFFAOYSA-N 0 0 308.337 3.249 20 10 DGCDRN CC(C)(C)c1ccc(NCC(=O)c2ccc(O)c(O)c2)cn1 ZINC001170322701 1082346507 /nfs/dbraw/zinc/34/65/07/1082346507.db2.gz MPQCOAGNIMGBLO-UHFFFAOYSA-N 0 0 300.358 3.085 20 10 DGCDRN COc1ccc(N(CCn2cc(Cl)cn2)CC2CC2)cc1 ZINC001170411959 1082370673 /nfs/dbraw/zinc/37/06/73/1082370673.db2.gz PPHFQLFXTFWNEK-UHFFFAOYSA-N 0 0 305.809 3.462 20 10 DGCDRN Cc1cc(C)c2c(c1)N(C(=O)/C=C\c1cnccc1C)CCO2 ZINC001130699523 1082607603 /nfs/dbraw/zinc/60/76/03/1082607603.db2.gz GXBVIEVXCZUEJF-PLNGDYQASA-N 0 0 308.381 3.446 20 10 DGCDRN Cn1ccc2cccc(NC(=O)/C=C\c3ccc(O)c(O)c3)c21 ZINC000588564828 1082641768 /nfs/dbraw/zinc/64/17/68/1082641768.db2.gz HMXQHSGEUMSQOU-VURMDHGXSA-N 0 0 308.337 3.241 20 10 DGCDRN C/C=C(/CC)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000588566587 1082644226 /nfs/dbraw/zinc/64/42/26/1082644226.db2.gz RVXSQVPBGOSNNZ-TVPGTPATSA-N 0 0 302.418 3.090 20 10 DGCDRN COc1cc(C)c(CNc2ccc(OC(F)F)nc2)c(O)c1 ZINC001181175725 1083423105 /nfs/dbraw/zinc/42/31/05/1083423105.db2.gz UBYGXGOOPYKNRK-UHFFFAOYSA-N 0 0 310.300 3.318 20 10 DGCDRN COc1ccc2[nH]c(C)c(CC(=O)NCc3ccccc3O)c2c1 ZINC001181198814 1083428357 /nfs/dbraw/zinc/42/83/57/1083428357.db2.gz LEFLFXVJZTYKIQ-UHFFFAOYSA-N 0 0 324.380 3.049 20 10 DGCDRN COc1cc(C)cc(CN2CC(OC)(c3ccccc3)C2)c1O ZINC001181544807 1083487982 /nfs/dbraw/zinc/48/79/82/1083487982.db2.gz ZMXUBNLZJIOOPV-UHFFFAOYSA-N 0 0 313.397 3.067 20 10 DGCDRN O=C(Cc1ccc2cc[nH]c2c1)N1CCc2cccc(O)c2C1 ZINC001181808167 1083545610 /nfs/dbraw/zinc/54/56/10/1083545610.db2.gz QPHRKHNTPCBINN-UHFFFAOYSA-N 0 0 306.365 3.001 20 10 DGCDRN Cc1cc(C)c(CNC(=O)Cc2ccc3cc[nH]c3c2)c(O)c1 ZINC001181810797 1083554343 /nfs/dbraw/zinc/55/43/43/1083554343.db2.gz VUFIFDVBBHQXDL-UHFFFAOYSA-N 0 0 308.381 3.349 20 10 DGCDRN Cc1cc(C)c(CNC(=O)[C@@]2(C)CC2(Cl)Cl)c(O)c1 ZINC001182141285 1083631241 /nfs/dbraw/zinc/63/12/41/1083631241.db2.gz CIVQCTKEVKEECQ-CYBMUJFWSA-N 0 0 302.201 3.209 20 10 DGCDRN O=C(CCc1ccc(O)c(O)c1)Nc1nc2ccccc2s1 ZINC001182154189 1083634321 /nfs/dbraw/zinc/63/43/21/1083634321.db2.gz UOBHLVWIXLKFEC-UHFFFAOYSA-N 0 0 314.366 3.279 20 10 DGCDRN C[C@@H]1C[C@H](NC(=O)CCc2ccc(O)c(O)c2)c2ccccc21 ZINC001182155840 1083635967 /nfs/dbraw/zinc/63/59/67/1083635967.db2.gz RWGAQCHOSMWSKS-WBMJQRKESA-N 0 0 311.381 3.395 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@H]1C(F)(F)F ZINC001182323795 1083687464 /nfs/dbraw/zinc/68/74/64/1083687464.db2.gz NYEXWMKTFLMVIJ-UONOGXRCSA-N 0 0 314.351 3.300 20 10 DGCDRN CC[C@H](C)C(=O)C(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001184323418 1084159316 /nfs/dbraw/zinc/15/93/16/1084159316.db2.gz AQWGZBAILDTCAY-DYZYQPBXSA-N 0 0 317.429 3.364 20 10 DGCDRN CC(=O)[C@H](C)CC(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001184346697 1084165723 /nfs/dbraw/zinc/16/57/23/1084165723.db2.gz FBPZRVIMZGRPMJ-MGNBDDOMSA-N 0 0 317.429 3.364 20 10 DGCDRN Cc1ccnn1C1CC[NH+](Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139688031 1084207573 /nfs/dbraw/zinc/20/75/73/1084207573.db2.gz WRONPEAZVZLMQF-UHFFFAOYSA-N 0 0 307.344 3.012 20 10 DGCDRN Cc1ccccc1-c1noc([C@@H](O)c2ccc(N(C)C)cc2)n1 ZINC001211704339 1084286288 /nfs/dbraw/zinc/28/62/88/1084286288.db2.gz UBBYIDQELBLMOP-INIZCTEOSA-N 0 0 309.369 3.193 20 10 DGCDRN CCOc1cccc(CN2CCc3nc(Cl)ccc3C2)c1O ZINC001203609005 1084362209 /nfs/dbraw/zinc/36/22/09/1084362209.db2.gz FVUNYALKUYBKHJ-UHFFFAOYSA-N 0 0 318.804 3.398 20 10 DGCDRN Cc1noc(C)c1NC(=O)NCc1cc2ccccc2cc1O ZINC001185210437 1084381618 /nfs/dbraw/zinc/38/16/18/1084381618.db2.gz GVNBXEHNQHPSBO-UHFFFAOYSA-N 0 0 311.341 3.472 20 10 DGCDRN O=[N+]([O-])c1cnc(NCc2ccc(N3CC=CC3)cc2)c(F)c1 ZINC001185479539 1084451142 /nfs/dbraw/zinc/45/11/42/1084451142.db2.gz UPCBTTHVZQMSFI-UHFFFAOYSA-N 0 0 314.320 3.117 20 10 DGCDRN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NCc1ccon1 ZINC001185574131 1084475949 /nfs/dbraw/zinc/47/59/49/1084475949.db2.gz PCWHQDSMAZBRBW-UHFFFAOYSA-N 0 0 323.308 3.426 20 10 DGCDRN C[C@]1(F)CCN(Cc2cc(Br)ccc2O)C[C@@H]1F ZINC001203636614 1084633309 /nfs/dbraw/zinc/63/33/09/1084633309.db2.gz YFYPSVCFFSSSLG-STQMWFEESA-N 0 0 320.177 3.427 20 10 DGCDRN COc1ccc(N(C)CCN(C)c2ccnc(C(C)C)n2)cc1 ZINC001186920404 1084728775 /nfs/dbraw/zinc/72/87/75/1084728775.db2.gz BMGBIGYRHCKQQK-UHFFFAOYSA-N 0 0 314.433 3.181 20 10 DGCDRN Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187208924 1084774675 /nfs/dbraw/zinc/77/46/75/1084774675.db2.gz HRPURWMKVKKSTR-UHFFFAOYSA-N 0 0 323.439 3.442 20 10 DGCDRN COc1ccc(N2CCN(Cc3cc(C)cc(F)c3)CC2)cc1 ZINC001143580595 1086043411 /nfs/dbraw/zinc/04/34/11/1086043411.db2.gz OTXKQGMQTAKQKK-UHFFFAOYSA-N 0 0 314.404 3.465 20 10 DGCDRN Oc1cc(O)c(CCNc2cc(Cl)ncc2Cl)cc1O ZINC001168014635 1086273966 /nfs/dbraw/zinc/27/39/66/1086273966.db2.gz WNVDJQVKNAOZAP-UHFFFAOYSA-N 0 0 315.156 3.160 20 10 DGCDRN O=C(NCc1c(Cl)cccc1Cl)c1cccc(O)c1O ZINC000696970835 1086735208 /nfs/dbraw/zinc/73/52/08/1086735208.db2.gz XGMBUKSOSZJKQA-UHFFFAOYSA-N 0 0 312.152 3.335 20 10 DGCDRN CN(C)c1ccc(CN2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000093338211 1087087800 /nfs/dbraw/zinc/08/78/00/1087087800.db2.gz FGMXXQIHPBSCAL-UHFFFAOYSA-N 0 0 311.385 3.219 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2noc(-c3n[nH]cc3N)n2)cc1 ZINC001213197389 1087255499 /nfs/dbraw/zinc/25/54/99/1087255499.db2.gz IAELOSOUEUAGSY-UHFFFAOYSA-N 0 0 320.356 3.116 20 10 DGCDRN C/C(=C\c1cccc(Cl)c1)C(=O)NCc1ccc(O)cc1O ZINC001626837749 1087270206 /nfs/dbraw/zinc/27/02/06/1087270206.db2.gz DUNXOZJMDOYDLC-YRNVUSSQSA-N 0 0 317.772 3.471 20 10 DGCDRN COc1cc(C[N@H+](C)Cc2cc(F)c(F)cc2[O-])cc(OC)c1 ZINC001142520443 1087276292 /nfs/dbraw/zinc/27/62/92/1087276292.db2.gz JQHUBOMPZCDUAZ-UHFFFAOYSA-N 0 0 323.339 3.320 20 10 DGCDRN C[C@@H](CC(=O)NCc1ccc(O)cc1O)c1ccc(F)cc1 ZINC001626838285 1087277869 /nfs/dbraw/zinc/27/78/69/1087277869.db2.gz VGMLSNRVEXGACB-NSHDSACASA-N 0 0 303.333 3.047 20 10 DGCDRN Cn1cnc(/C=C\C(=O)N2CC3(CCCC3)c3ccccc32)c1 ZINC001126786462 1087278608 /nfs/dbraw/zinc/27/86/08/1087278608.db2.gz XBOSROPNMIOGRC-HJWRWDBZSA-N 0 0 307.397 3.292 20 10 DGCDRN C[C@H](C(=O)NCc1ccc(O)cc1O)c1ccc(Cl)s1 ZINC001142533118 1087278811 /nfs/dbraw/zinc/27/88/11/1087278811.db2.gz DGOQQVQHNOHWQW-QMMMGPOBSA-N 0 0 311.790 3.233 20 10 DGCDRN C[C@@H](NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1ccccc1O ZINC001151886106 1087809143 /nfs/dbraw/zinc/80/91/43/1087809143.db2.gz VJXOAEGNRYOCSQ-HWPZZCPQSA-N 0 0 317.772 3.227 20 10 DGCDRN C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccccc1O ZINC001151892294 1087814897 /nfs/dbraw/zinc/81/48/97/1087814897.db2.gz NGQQRSHFIKWROK-VIFPVBQESA-N 0 0 320.732 3.445 20 10 DGCDRN C[C@H](NC(=O)Cc1cccc2cnccc21)c1ccccc1O ZINC001151900066 1087819479 /nfs/dbraw/zinc/81/94/79/1087819479.db2.gz KOTDFJNSHBGYCO-ZDUSSCGKSA-N 0 0 306.365 3.360 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2nc3c(cccc3C)[nH]2)c(O)c1 ZINC001151993712 1087862915 /nfs/dbraw/zinc/86/29/15/1087862915.db2.gz GGXRADLZIVLWKT-UHFFFAOYSA-N 0 0 309.369 3.124 20 10 DGCDRN CC1(C)CCC[C@@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000176513375 1087883330 /nfs/dbraw/zinc/88/33/30/1087883330.db2.gz IHBDOTNRSYYINT-KRWDZBQOSA-N 0 0 313.445 3.441 20 10 DGCDRN COc1cccnc1CN(C)Cc1ccc(N2CCCC2)cc1 ZINC001206644594 1088111786 /nfs/dbraw/zinc/11/17/86/1088111786.db2.gz QIZKNZKUUKXLLE-UHFFFAOYSA-N 0 0 311.429 3.322 20 10 DGCDRN Oc1ccc(CNc2nccc3c(Cl)ccnc32)cc1O ZINC001158994865 1088122966 /nfs/dbraw/zinc/12/29/66/1088122966.db2.gz ZQJYGZVVXJVTQS-UHFFFAOYSA-N 0 0 301.733 3.307 20 10 DGCDRN Oc1ccc(CNc2nc(Cl)nc3ccc(F)cc32)cc1O ZINC001158994572 1088123645 /nfs/dbraw/zinc/12/36/45/1088123645.db2.gz PYEWBIKBPONXOE-UHFFFAOYSA-N 0 0 319.723 3.446 20 10 DGCDRN COC(=O)c1ccc2c(ccnc2NCc2ccc(O)c(O)c2)c1 ZINC001158996139 1088125071 /nfs/dbraw/zinc/12/50/71/1088125071.db2.gz XGKBFUXPYLVIAJ-UHFFFAOYSA-N 0 0 324.336 3.045 20 10 DGCDRN Oc1ccc(CNc2nccc(-c3ccc(F)cc3)n2)cc1O ZINC001158995921 1088126252 /nfs/dbraw/zinc/12/62/52/1088126252.db2.gz RPPJHZGTHKYPNQ-UHFFFAOYSA-N 0 0 311.316 3.306 20 10 DGCDRN Oc1ccc(CNc2cnc3c(Cl)cccc3n2)cc1O ZINC001158995565 1088126854 /nfs/dbraw/zinc/12/68/54/1088126854.db2.gz KCQBTWBXZDJGNL-UHFFFAOYSA-N 0 0 301.733 3.307 20 10 DGCDRN O=C(CCC(=O)c1ccccc1)NCc1cccc(Cl)c1O ZINC001159033709 1088152896 /nfs/dbraw/zinc/15/28/96/1088152896.db2.gz MJSDPSDBUTYNJE-UHFFFAOYSA-N 0 0 317.772 3.325 20 10 DGCDRN C[C@H](OCc1ccccc1)C(=O)NCc1cccc(Cl)c1O ZINC001159034082 1088153521 /nfs/dbraw/zinc/15/35/21/1088153521.db2.gz QXGRBDUQJORBLO-LBPRGKRZSA-N 0 0 319.788 3.267 20 10 DGCDRN O=C(Cc1nc(C2CC2)cs1)NCc1cccc(Cl)c1O ZINC001159041468 1088155170 /nfs/dbraw/zinc/15/51/70/1088155170.db2.gz OEJWPSFFOCXERQ-UHFFFAOYSA-N 0 0 322.817 3.238 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1c(Cl)cccc1Cl ZINC001153798998 1088362067 /nfs/dbraw/zinc/36/20/67/1088362067.db2.gz ZYXIKITTZDNQNI-UHFFFAOYSA-N 0 0 312.152 3.335 20 10 DGCDRN Cc1ccc2occ(CC(=O)NCc3cccc(O)c3O)c2c1 ZINC001153798937 1088363621 /nfs/dbraw/zinc/36/36/21/1088363621.db2.gz YGLZKHFBXZHMLR-UHFFFAOYSA-N 0 0 311.337 3.011 20 10 DGCDRN Cc1cc2[nH]c(C(=O)N3CCc4cccc(O)c4C3)cc2s1 ZINC001154006594 1088437179 /nfs/dbraw/zinc/43/71/79/1088437179.db2.gz BZAFPEUHRYALOC-UHFFFAOYSA-N 0 0 312.394 3.442 20 10 DGCDRN CC(C)Oc1cc(F)c(F)cc1N(CCO)c1ccc(N)cc1 ZINC001212224885 1088536128 /nfs/dbraw/zinc/53/61/28/1088536128.db2.gz DCJMYBSMUXQJOV-UHFFFAOYSA-N 0 0 322.355 3.465 20 10 DGCDRN O=[N+]([O-])c1ccnc(NCc2cc(Br)ccc2O)c1 ZINC001160012811 1088602683 /nfs/dbraw/zinc/60/26/83/1088602683.db2.gz UVNJPBXEXUNJJB-UHFFFAOYSA-N 0 0 324.134 3.070 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2cccnn2c1 ZINC001154586360 1088663361 /nfs/dbraw/zinc/66/33/61/1088663361.db2.gz IQJMYJJDZJFKBG-UHFFFAOYSA-N 0 0 322.412 3.063 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCC(C)(C)O ZINC001154855709 1088790529 /nfs/dbraw/zinc/79/05/29/1088790529.db2.gz IWAQZNTVHYYBAT-UHFFFAOYSA-N 0 0 314.429 3.293 20 10 DGCDRN CCN(Cc1ccccc1O)c1ncccc1-c1nc(C)no1 ZINC001154890920 1088814101 /nfs/dbraw/zinc/81/41/01/1088814101.db2.gz WBVILBZMSIHLCQ-UHFFFAOYSA-N 0 0 310.357 3.172 20 10 DGCDRN CN(Cc1cccc2cccnc21)C(=O)Cc1ccc(N)cc1 ZINC001160538442 1088860536 /nfs/dbraw/zinc/86/05/36/1088860536.db2.gz YJHSHKURWRJMBL-UHFFFAOYSA-N 0 0 305.381 3.018 20 10 DGCDRN Nc1ccc(CC(=O)N(Cc2ccccc2)C2CCOCC2)cc1 ZINC001160590129 1088886190 /nfs/dbraw/zinc/88/61/90/1088886190.db2.gz GWPNOQSYTCRONJ-UHFFFAOYSA-N 0 0 324.424 3.019 20 10 DGCDRN C=Cc1nc(Cl)nc(NCc2cccc(C)c2O)c1OC ZINC001160769899 1088950792 /nfs/dbraw/zinc/95/07/92/1088950792.db2.gz MLJHEXPVMGFBSV-UHFFFAOYSA-N 0 0 305.765 3.408 20 10 DGCDRN Cc1cc(C)c(CNc2nccc(N3CCCCC3)n2)c(O)c1 ZINC001160810985 1088975019 /nfs/dbraw/zinc/97/50/19/1088975019.db2.gz YPZILSBYMUPTJT-UHFFFAOYSA-N 0 0 312.417 3.401 20 10 DGCDRN Cc1cc(C)c(CNC(F)(F)c2cnc(Cl)cn2)c(O)c1 ZINC001160808678 1088975710 /nfs/dbraw/zinc/97/57/10/1088975710.db2.gz YBNPCAZXTPZLKC-UHFFFAOYSA-N 0 0 313.735 3.292 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H](C)C(F)F ZINC001161304416 1089184306 /nfs/dbraw/zinc/18/43/06/1089184306.db2.gz SNNCVVCXWGXOLC-NSHDSACASA-N 0 0 320.339 3.290 20 10 DGCDRN Cc1nc(N2CCCc3cc(O)c(O)cc3C2)nc2ccccc12 ZINC001155941354 1089306149 /nfs/dbraw/zinc/30/61/49/1089306149.db2.gz MSMFHXLXWSKMSJ-UHFFFAOYSA-N 0 0 321.380 3.302 20 10 DGCDRN Cc1nc(Cl)c(N2CCCc3cc(O)c(O)cc3C2)nc1C ZINC001155941360 1089306815 /nfs/dbraw/zinc/30/68/15/1089306815.db2.gz NKWMSBSVDNPEBY-UHFFFAOYSA-N 0 0 319.792 3.111 20 10 DGCDRN Cc1ccc2occ(CC(=O)NCc3c(O)cccc3F)c2c1 ZINC001156170553 1089416196 /nfs/dbraw/zinc/41/61/96/1089416196.db2.gz POIWXLMYWRLESD-UHFFFAOYSA-N 0 0 313.328 3.445 20 10 DGCDRN CCCCC(=O)NCCC1=CCN(c2cccc(F)n2)CC1 ZINC001089806450 1089535246 /nfs/dbraw/zinc/53/52/46/1089535246.db2.gz WCXKHMLGKAFYCO-UHFFFAOYSA-N 0 0 305.397 3.054 20 10 DGCDRN CC/C=C(\C)C(=O)NCCC1=CCN(c2cccc(F)n2)CC1 ZINC001089810047 1089552070 /nfs/dbraw/zinc/55/20/70/1089552070.db2.gz FIJXHQORTCSQNZ-LHHJGKSTSA-N 0 0 317.408 3.220 20 10 DGCDRN CC(C)(C(=O)NCc1c(O)cccc1O)c1ccccc1Cl ZINC001156881345 1089729696 /nfs/dbraw/zinc/72/96/96/1089729696.db2.gz ZOBZWRXJXXVUHV-UHFFFAOYSA-N 0 0 319.788 3.345 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1cccc(C(F)F)c1F ZINC001156885543 1089732307 /nfs/dbraw/zinc/73/23/07/1089732307.db2.gz JAISTZGUQMSZPO-UHFFFAOYSA-N 0 0 311.259 3.105 20 10 DGCDRN CN(C)c1ccc(CN(C)c2nc3nc[nH]c3cc2Cl)cc1 ZINC001156920959 1089744459 /nfs/dbraw/zinc/74/44/59/1089744459.db2.gz MWJUKPMTQBLJSM-UHFFFAOYSA-N 0 0 315.808 3.314 20 10 DGCDRN COc1ccc2cnc(N(C)Cc3ccc(N(C)C)cc3)nc2c1 ZINC001156923915 1089746284 /nfs/dbraw/zinc/74/62/84/1089746284.db2.gz KDJZLWWNVKTXGB-UHFFFAOYSA-N 0 0 322.412 3.341 20 10 DGCDRN C/C(=C/c1ccccn1)C(=O)NCc1ccc2cccnc2c1O ZINC001162612241 1089828843 /nfs/dbraw/zinc/82/88/43/1089828843.db2.gz FKOONDDDQGCMAU-QBFSEMIESA-N 0 0 319.364 3.055 20 10 DGCDRN Oc1cc(O)c(CCNc2nccc3ccsc32)cc1O ZINC001157239429 1089890395 /nfs/dbraw/zinc/89/03/95/1089890395.db2.gz BELRQTHHIAOAMQ-UHFFFAOYSA-N 0 0 302.355 3.068 20 10 DGCDRN C[C@H]1C[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])CCC[C@H]1O ZINC001236794975 1089894142 /nfs/dbraw/zinc/89/41/42/1089894142.db2.gz YPIWLPXCKKNTPU-TVQRCGJNSA-N 0 0 304.217 3.292 20 10 DGCDRN CC(C)(C)OC(=O)Nc1cc(NCc2ccc(N)cc2)ncn1 ZINC001162783989 1089951656 /nfs/dbraw/zinc/95/16/56/1089951656.db2.gz DQOPKIAXNUYROL-UHFFFAOYSA-N 0 0 315.377 3.018 20 10 DGCDRN COc1cccc(-c2ccc(NCc3ccc(N)cc3)nn2)c1 ZINC001162788106 1089956283 /nfs/dbraw/zinc/95/62/83/1089956283.db2.gz YZTWRZULSQXGPV-UHFFFAOYSA-N 0 0 306.369 3.347 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H](C2CCC2)C2CCCC2)c(O)c1O ZINC001163013892 1090055912 /nfs/dbraw/zinc/05/59/12/1090055912.db2.gz IGUSRKZTGIMWHD-OAHLLOKOSA-N 0 0 303.402 3.495 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1ncccc1Br ZINC001163031016 1090057661 /nfs/dbraw/zinc/05/76/61/1090057661.db2.gz LRNWSGGZKGDVDV-VIFPVBQESA-N 0 0 323.190 3.298 20 10 DGCDRN CC[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001163076147 1090071773 /nfs/dbraw/zinc/07/17/73/1090071773.db2.gz IRHOESBQUJSRAW-ZDUSSCGKSA-N 0 0 314.341 3.009 20 10 DGCDRN CC(C)[C@@H](C)C(=O)NCCC1=CCN(c2cccc(F)n2)CC1 ZINC001089844437 1090103318 /nfs/dbraw/zinc/10/33/18/1090103318.db2.gz BXNPUMKVJBZZIA-CQSZACIVSA-N 0 0 319.424 3.156 20 10 DGCDRN COCCC1CC[NH+](Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237813044 1090326780 /nfs/dbraw/zinc/32/67/80/1090326780.db2.gz KCYMIHDQVGGUOH-UHFFFAOYSA-N 0 0 301.789 3.433 20 10 DGCDRN CNc1ccnc(NCc2cc(Cl)c3cccnc3c2O)n1 ZINC001168527010 1090336518 /nfs/dbraw/zinc/33/65/18/1090336518.db2.gz BHAOMZWZGGCGMN-UHFFFAOYSA-N 0 0 315.764 3.038 20 10 DGCDRN Cc1cc(Br)ccc1-c1noc(-c2csnn2)n1 ZINC001212362701 1090576280 /nfs/dbraw/zinc/57/62/80/1090576280.db2.gz XJUYUEVOTFFLJA-UHFFFAOYSA-N 0 0 323.175 3.326 20 10 DGCDRN Cc1snnc1-c1nc(-c2cccc3ccc(C)nc32)no1 ZINC001212405618 1090627230 /nfs/dbraw/zinc/62/72/30/1090627230.db2.gz YZLXAWYQLJMQAT-UHFFFAOYSA-N 0 0 309.354 3.420 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2nc(C)cc(C)n2)C1 ZINC001166819194 1090662313 /nfs/dbraw/zinc/66/23/13/1090662313.db2.gz QSPPCHZVTJBYAY-UHFFFAOYSA-N 0 0 322.412 3.156 20 10 DGCDRN C[C@H](NC(=O)c1nccc2cccnc21)c1ccc(N(C)C)cc1 ZINC001128136184 1090679388 /nfs/dbraw/zinc/67/93/88/1090679388.db2.gz NFJHTJNYIUBPCY-ZDUSSCGKSA-N 0 0 320.396 3.187 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001203573477 1090759317 /nfs/dbraw/zinc/75/93/17/1090759317.db2.gz BPIJKYPRBDCWQD-RNCFNFMXSA-N 0 0 302.201 3.310 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@]1(C)O ZINC001203574225 1090759664 /nfs/dbraw/zinc/75/96/64/1090759664.db2.gz QHMWEPMDDUFVDC-OTYXRUKQSA-N 0 0 304.217 3.292 20 10 DGCDRN Oc1cccc(Nc2ccc(OCC(F)(F)F)nc2)c1O ZINC001203686870 1090781145 /nfs/dbraw/zinc/78/11/45/1090781145.db2.gz WUGIVBVKWXEZSX-UHFFFAOYSA-N 0 0 300.236 3.178 20 10 DGCDRN C[C@H](CC(N)=O)c1ccc(NCc2cc(F)cc(F)c2O)cc1 ZINC001203821549 1090813051 /nfs/dbraw/zinc/81/30/51/1090813051.db2.gz WMRFFDXFDZCKJY-SNVBAGLBSA-N 0 0 320.339 3.261 20 10 DGCDRN CCOc1ccc(N2CCN(Cc3cccc(O)c3)CC2)cc1 ZINC001203867615 1090823555 /nfs/dbraw/zinc/82/35/55/1090823555.db2.gz QTNSUDMSRRZPCH-UHFFFAOYSA-N 0 0 312.413 3.113 20 10 DGCDRN Cc1ccc([C@]2(C)CN(Cc3ccc(O)c(O)c3)CCO2)cc1 ZINC001203880239 1090825993 /nfs/dbraw/zinc/82/59/93/1090825993.db2.gz MVUXSXGDLKJXDD-IBGZPJMESA-N 0 0 313.397 3.154 20 10 DGCDRN Cc1ccn2cnc(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)c2c1 ZINC001128241579 1090921734 /nfs/dbraw/zinc/92/17/34/1090921734.db2.gz JLIKFTXPOZDGLO-AWEZNQCLSA-N 0 0 322.412 3.200 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[NH+]1CCC(CF)CC1 ZINC000715804160 1091009698 /nfs/dbraw/zinc/00/96/98/1091009698.db2.gz MWIGEXZEHPRARG-UHFFFAOYSA-N 0 0 320.177 3.475 20 10 DGCDRN CCCCC[C@@H](O)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC001626085118 1091017613 /nfs/dbraw/zinc/01/76/13/1091017613.db2.gz CVWLQUYOTNVYJZ-QGZVFWFLSA-N 0 0 306.450 3.090 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C2(c3cccnc3)CC2)cc1 ZINC001626086181 1091019786 /nfs/dbraw/zinc/01/97/86/1091019786.db2.gz XPXJJYKTYNHJIY-UHFFFAOYSA-N 0 0 323.440 3.276 20 10 DGCDRN Cc1nc(C(=O)Nc2c3nonc3ccc2Cl)c(C)s1 ZINC001128603424 1091071585 /nfs/dbraw/zinc/07/15/85/1091071585.db2.gz IIUKWESBDVRKFL-UHFFFAOYSA-N 0 0 308.750 3.202 20 10 DGCDRN COc1ccc2c(c1)CC[C@H]([NH2+]Cc1cc(F)c(F)cc1[O-])C2 ZINC001204960459 1091072970 /nfs/dbraw/zinc/07/29/70/1091072970.db2.gz AQXHLCUILLYPMU-AWEZNQCLSA-N 0 0 319.351 3.326 20 10 DGCDRN C[C@H]1C[N@H+](Cc2c([O-])cccc2F)CCC[C@@]1(O)C(F)(F)F ZINC001137831689 1091092414 /nfs/dbraw/zinc/09/24/14/1091092414.db2.gz KBRBYBNKVASDJA-HZMBPMFUSA-N 0 0 321.314 3.057 20 10 DGCDRN CCN(Cc1c(Cl)c(C)nn1C)Cc1ccc(N(C)C)cc1 ZINC001205143397 1091111869 /nfs/dbraw/zinc/11/18/69/1091111869.db2.gz JNUXXKYAHBCPSF-UHFFFAOYSA-N 0 0 320.868 3.470 20 10 DGCDRN Cc1c(CN2CC3(C2)CC(F)(F)CO3)c2ccccc2n1C ZINC001138257944 1091126420 /nfs/dbraw/zinc/12/64/20/1091126420.db2.gz FBVNIIBPWWTEIQ-UHFFFAOYSA-N 0 0 306.356 3.097 20 10 DGCDRN COC(=O)c1ccc2c(C[N@H+](C)Cc3ccccc3O)c[nH]c2c1 ZINC001138267276 1091129372 /nfs/dbraw/zinc/12/93/72/1091129372.db2.gz FRYBBQPDGXFLDC-UHFFFAOYSA-N 0 0 324.380 3.292 20 10 DGCDRN COc1ccc(N2CCN(Cc3ccc(C)c(F)c3)CC2)cc1 ZINC001205205583 1091130976 /nfs/dbraw/zinc/13/09/76/1091130976.db2.gz AKAULRYKJQUEJC-UHFFFAOYSA-N 0 0 314.404 3.465 20 10 DGCDRN Cc1cccc2ncc(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)n21 ZINC001138363732 1091153523 /nfs/dbraw/zinc/15/35/23/1091153523.db2.gz RCZWDICWQMYSLM-AWEZNQCLSA-N 0 0 322.412 3.200 20 10 DGCDRN CCN(CC)c1ccc(CN2CCCC(=O)CC2)c(OC)c1 ZINC001138386675 1091161470 /nfs/dbraw/zinc/16/14/70/1091161470.db2.gz SGBZQAKXSYWGPG-UHFFFAOYSA-N 0 0 304.434 3.096 20 10 DGCDRN CCN(CC)c1ccc(CN2CCCC(=O)[C@H](F)C2)c(OC)c1 ZINC001138386436 1091161738 /nfs/dbraw/zinc/16/17/38/1091161738.db2.gz MZCYWQVAUTWAGJ-MRXNPFEDSA-N 0 0 322.424 3.044 20 10 DGCDRN CCN(CC)c1ccc(CN2CCCC[C@@H]2C(C)=O)c(OC)c1 ZINC001138390327 1091165021 /nfs/dbraw/zinc/16/50/21/1091165021.db2.gz RLNBALNMKARKEJ-GOSISDBHSA-N 0 0 318.461 3.485 20 10 DGCDRN CCN(CC)c1ccc(CN2CCC[C@H]2C(C)=O)c(OC)c1 ZINC001138392537 1091165042 /nfs/dbraw/zinc/16/50/42/1091165042.db2.gz ZOBGNEYZAHDNFV-KRWDZBQOSA-N 0 0 304.434 3.095 20 10 DGCDRN COC(=O)[C@@H]1CCCCCN1C/C=C\c1ccc(N(C)C)cc1 ZINC001205346982 1091194794 /nfs/dbraw/zinc/19/47/94/1091194794.db2.gz INGLEUBEVIADAS-ZEVQVBBLSA-N 0 0 316.445 3.183 20 10 DGCDRN C[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)CC1(F)F ZINC001138496985 1091205377 /nfs/dbraw/zinc/20/53/77/1091205377.db2.gz WNTAHQXOUNVODR-CQSZACIVSA-N 0 0 310.388 3.000 20 10 DGCDRN C[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)CC1(F)F ZINC001138496983 1091205666 /nfs/dbraw/zinc/20/56/66/1091205666.db2.gz WNTAHQXOUNVODR-AWEZNQCLSA-N 0 0 310.388 3.000 20 10 DGCDRN FC(F)(F)[C@@H]1CCCN1Cc1ccc(N2CCOCC2)cc1 ZINC001138496564 1091206637 /nfs/dbraw/zinc/20/66/37/1091206637.db2.gz UBQWLSRJPZJUMT-HNNXBMFYSA-N 0 0 314.351 3.050 20 10 DGCDRN [O-]c1cccc(F)c1C[N@@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001137837657 1091206826 /nfs/dbraw/zinc/20/68/26/1091206826.db2.gz PZOZWBVWSAOAFY-CQSZACIVSA-N 0 0 305.324 3.324 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC001205414737 1091215479 /nfs/dbraw/zinc/21/54/79/1091215479.db2.gz PEMGKCBDNQXFPN-AWEZNQCLSA-N 0 0 309.287 3.423 20 10 DGCDRN Cc1cccc(C)c1N1CC[NH+](Cc2c([O-])cccc2F)CC1 ZINC001137841541 1091225353 /nfs/dbraw/zinc/22/53/53/1091225353.db2.gz JBCQQSZLCHQTOY-UHFFFAOYSA-N 0 0 314.404 3.470 20 10 DGCDRN O=C(c1ccccc1)c1ccccc1Nc1cnn(C2COC2)c1 ZINC001205564556 1091256349 /nfs/dbraw/zinc/25/63/49/1091256349.db2.gz NWDJSUOBVPSQHC-UHFFFAOYSA-N 0 0 319.364 3.429 20 10 DGCDRN CN1C(=O)CCc2cc(Nc3cccc(O)c3O)cc(Cl)c21 ZINC001205920731 1091413430 /nfs/dbraw/zinc/41/34/30/1091413430.db2.gz QPYPCDDNQDGUBL-UHFFFAOYSA-N 0 0 318.760 3.404 20 10 DGCDRN CCC1CC[NH+](Cc2c([O-])ccc3c(C)cc(=O)oc32)CC1 ZINC001139126615 1091456600 /nfs/dbraw/zinc/45/66/00/1091456600.db2.gz MJFIFOKMRGSAAJ-UHFFFAOYSA-N 0 0 301.386 3.429 20 10 DGCDRN Cc1nc2c(F)cccc2cc1C(=O)NCc1ccccc1O ZINC001294926059 1091472442 /nfs/dbraw/zinc/47/24/42/1091472442.db2.gz XULIZCUWJRJEFG-UHFFFAOYSA-N 0 0 310.328 3.318 20 10 DGCDRN COc1ccccc1N(CCO)Cc1cc(Cl)c(C)cc1O ZINC001206078257 1091482239 /nfs/dbraw/zinc/48/22/39/1091482239.db2.gz SDOGJEAHFPMRTE-UHFFFAOYSA-N 0 0 321.804 3.362 20 10 DGCDRN O=C(COc1ccc(N2CCCC2)cc1)N1CCc2ccccc21 ZINC000178192822 1091526851 /nfs/dbraw/zinc/52/68/51/1091526851.db2.gz HWDRKMBPRPIUHN-UHFFFAOYSA-N 0 0 322.408 3.255 20 10 DGCDRN Cc1cccc(N2CC[NH+](Cc3c(F)ccc(F)c3[O-])CC2)c1 ZINC001139685674 1091640909 /nfs/dbraw/zinc/64/09/09/1091640909.db2.gz SIWYYHQELMAQRP-UHFFFAOYSA-N 0 0 318.367 3.301 20 10 DGCDRN CN(C)c1ccc(C[N@H+](C)Cc2c(F)ccc(F)c2[O-])cc1 ZINC001139687321 1091642889 /nfs/dbraw/zinc/64/28/89/1091642889.db2.gz LNSHGJIBWPCYFV-UHFFFAOYSA-N 0 0 306.356 3.368 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)[C@H]1CCC[C@H]1c1ccccc1 ZINC000827720950 1091777828 /nfs/dbraw/zinc/77/78/28/1091777828.db2.gz XOQCWTJYFRHRCI-IRXDYDNUSA-N 0 0 311.381 3.298 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1sc(C)cc1C ZINC001140198565 1091797952 /nfs/dbraw/zinc/79/79/52/1091797952.db2.gz JDGHACBMRCNOCC-UHFFFAOYSA-N 0 0 310.415 3.486 20 10 DGCDRN Cc1ccc(C(=O)N(C)c2cccc3cccnc32)c(O)c1O ZINC001296859606 1091802375 /nfs/dbraw/zinc/80/23/75/1091802375.db2.gz YCGKELNXHMQFIF-UHFFFAOYSA-N 0 0 308.337 3.231 20 10 DGCDRN Cc1ccc(N2CC[NH+](Cc3c([O-])cc(F)cc3F)CC2)cc1 ZINC001140580074 1091917654 /nfs/dbraw/zinc/91/76/54/1091917654.db2.gz QHYFUHXSLCBAHO-UHFFFAOYSA-N 0 0 318.367 3.301 20 10 DGCDRN Cc1ccccc1N1CC[NH+](Cc2c([O-])cc(F)cc2F)CC1 ZINC001140583104 1091919629 /nfs/dbraw/zinc/91/96/29/1091919629.db2.gz WFMSYWYGNPWMLW-UHFFFAOYSA-N 0 0 318.367 3.301 20 10 DGCDRN C[N@H+](CCC(=O)c1ccccc1)Cc1c([O-])cc(F)cc1F ZINC001140583761 1091920602 /nfs/dbraw/zinc/92/06/02/1091920602.db2.gz RSRGIHSMBYMFHL-UHFFFAOYSA-N 0 0 305.324 3.375 20 10 DGCDRN CCc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1Cl ZINC001297584163 1091923793 /nfs/dbraw/zinc/92/37/93/1091923793.db2.gz TVMQLOSXLWPXFI-UHFFFAOYSA-N 0 0 305.761 3.495 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]CC[C@H]1OCCc2ccccc21 ZINC001207639903 1092056508 /nfs/dbraw/zinc/05/65/08/1092056508.db2.gz VBUGMIVWKYRICF-GOSISDBHSA-N 0 0 319.351 3.464 20 10 DGCDRN Cc1cccn2c(NC(=O)N(C)Cc3ccccc3O)cnc12 ZINC001207658108 1092061143 /nfs/dbraw/zinc/06/11/43/1092061143.db2.gz VHCDYDLGUAPOKO-UHFFFAOYSA-N 0 0 310.357 3.012 20 10 DGCDRN COc1ccccc1O[C@H]1CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC001140950179 1092076562 /nfs/dbraw/zinc/07/65/62/1092076562.db2.gz UIWNCTHKIKMJHP-INIZCTEOSA-N 0 0 313.397 3.363 20 10 DGCDRN CC(=O)N1CCCC[C@@]12CCC[N@H+](Cc1ccc(C)cc1O)C2 ZINC001140950353 1092077133 /nfs/dbraw/zinc/07/71/33/1092077133.db2.gz QZTVDNVXGIJPAA-IBGZPJMESA-N 0 0 316.445 3.068 20 10 DGCDRN Cc1ccc(CN2Cc3cc(Br)cnc3C2)c(O)c1 ZINC001140950897 1092077274 /nfs/dbraw/zinc/07/72/74/1092077274.db2.gz ODEKGMMAHMKHKA-UHFFFAOYSA-N 0 0 319.202 3.374 20 10 DGCDRN Cc1ccc(C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)c(O)c1 ZINC001140950898 1092077701 /nfs/dbraw/zinc/07/77/01/1092077701.db2.gz OEOYTCYJYYHENJ-UHFFFAOYSA-N 0 0 319.408 3.445 20 10 DGCDRN Cc1cc(O)c(CN2CCn3nc(C4CC4)cc3C2)cc1Cl ZINC001207711823 1092078221 /nfs/dbraw/zinc/07/82/21/1092078221.db2.gz OJHWCLFBADMWET-UHFFFAOYSA-N 0 0 317.820 3.444 20 10 DGCDRN Cc1ccc(CN2CCOC[C@H]2c2ccc(F)cc2)c(O)c1 ZINC001140953485 1092078259 /nfs/dbraw/zinc/07/82/59/1092078259.db2.gz ATGFAYHORNIRCG-KRWDZBQOSA-N 0 0 301.361 3.413 20 10 DGCDRN Oc1cccc2c1C[N@H+](Cc1cccc(-c3ncccn3)c1)CC2 ZINC001140980605 1092094583 /nfs/dbraw/zinc/09/45/83/1092094583.db2.gz FCQHQMZNUUEOFE-UHFFFAOYSA-N 0 0 317.392 3.408 20 10 DGCDRN COc1cc(O)c(CN(C)Cc2ccccc2F)c(OC)c1 ZINC001141028388 1092111458 /nfs/dbraw/zinc/11/14/58/1092111458.db2.gz MSUYDEXSQZEHJB-UHFFFAOYSA-N 0 0 305.349 3.181 20 10 DGCDRN COc1cc(O)c(CN2CCC[C@@H]2c2nccs2)c(OC)c1 ZINC001141029512 1092111547 /nfs/dbraw/zinc/11/15/47/1092111547.db2.gz VDTMCKISVXYGDN-CYBMUJFWSA-N 0 0 320.414 3.203 20 10 DGCDRN COc1cc(O)c(CN2CCCCC(F)(F)C2)c(OC)c1 ZINC001141032111 1092112767 /nfs/dbraw/zinc/11/27/67/1092112767.db2.gz STSYBQKCUCRWAE-UHFFFAOYSA-N 0 0 301.333 3.031 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2cnccc2C)C1 ZINC001141035178 1092115159 /nfs/dbraw/zinc/11/51/59/1092115159.db2.gz LFLHMUPOTCLLTI-UHFFFAOYSA-N 0 0 321.424 3.449 20 10 DGCDRN CC1(C)CN(Cc2cc3c4c(c2)CCCN4CCC3)CCC1=O ZINC001141078468 1092130863 /nfs/dbraw/zinc/13/08/63/1092130863.db2.gz WVYMWQQOUJKWST-UHFFFAOYSA-N 0 0 312.457 3.186 20 10 DGCDRN CN1CCOc2cc(CN3CCC[C@@H](F)C(F)(F)C3)ccc21 ZINC001141140881 1092148998 /nfs/dbraw/zinc/14/89/98/1092148998.db2.gz QNCNKFMWKWJIPM-OAHLLOKOSA-N 0 0 314.351 3.084 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC001299887382 1092172925 /nfs/dbraw/zinc/17/29/25/1092172925.db2.gz RZKOATBGYFPVQG-HOCLYGCPSA-N 0 0 322.368 3.383 20 10 DGCDRN COc1ccsc1CN1CCCc2cc(O)c(O)cc2C1 ZINC001141329117 1092206966 /nfs/dbraw/zinc/20/69/66/1092206966.db2.gz GQQSLMAOCHIAQJ-UHFFFAOYSA-N 0 0 305.399 3.116 20 10 DGCDRN Oc1cccc2c1CN(Cc1csc(C(F)(F)F)n1)CC2 ZINC001141884854 1092356421 /nfs/dbraw/zinc/35/64/21/1092356421.db2.gz HGRSIXANBWQYAS-UHFFFAOYSA-N 0 0 314.332 3.426 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C[C@H]1CCC2(CCC2)O1 ZINC001168858978 1092402599 /nfs/dbraw/zinc/40/25/99/1092402599.db2.gz IGRJBTOSWYMOBT-OAHLLOKOSA-N 0 0 302.418 3.053 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)Cc1ccccn1 ZINC001142170686 1092426139 /nfs/dbraw/zinc/42/61/39/1092426139.db2.gz MDRUAZNUBBIHJE-LJQANCHMSA-N 0 0 324.424 3.386 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)Cc1ccncc1 ZINC001142186183 1092429685 /nfs/dbraw/zinc/42/96/85/1092429685.db2.gz ZNUAIFYLYWUORG-IBGZPJMESA-N 0 0 324.424 3.386 20 10 DGCDRN CC(C)(C)c1nc[nH]c1CN1CCCc2cc(O)c(O)cc2C1 ZINC001142235372 1092444218 /nfs/dbraw/zinc/44/42/18/1092444218.db2.gz UJVZMGQKOWGXHH-UHFFFAOYSA-N 0 0 315.417 3.067 20 10 DGCDRN Oc1cc(F)c(F)cc1CN1CCO[C@H](c2ccccc2)C1 ZINC001142524991 1092493783 /nfs/dbraw/zinc/49/37/83/1092493783.db2.gz SGQNLFMWACSPOV-KRWDZBQOSA-N 0 0 305.324 3.244 20 10 DGCDRN CN(Cc1nc2ccccc2o1)Cc1cc(F)c(F)cc1O ZINC001142526943 1092494404 /nfs/dbraw/zinc/49/44/04/1092494404.db2.gz CMSNLRJOJKMRQC-UHFFFAOYSA-N 0 0 304.296 3.444 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001142520032 1092494837 /nfs/dbraw/zinc/49/48/37/1092494837.db2.gz AEMSDLPKFYZRBF-CQSZACIVSA-N 0 0 305.324 3.324 20 10 DGCDRN Cc1ccnn1C1CC[NH+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142531450 1092496785 /nfs/dbraw/zinc/49/67/85/1092496785.db2.gz XTQQBSZQOILAHJ-UHFFFAOYSA-N 0 0 307.344 3.012 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCOC[C@H]1C1CCCCC1 ZINC001142531446 1092497107 /nfs/dbraw/zinc/49/71/07/1092497107.db2.gz XRWDAUHXILWCGB-INIZCTEOSA-N 0 0 311.372 3.452 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)C1=COCC1 ZINC001142561191 1092503077 /nfs/dbraw/zinc/50/30/77/1092503077.db2.gz ABTWHQCKNHJNDZ-MRXNPFEDSA-N 0 0 301.386 3.053 20 10 DGCDRN CCc1cc(C(=O)NCc2ccc3cccnc3c2O)ccc1O ZINC001142730838 1092538806 /nfs/dbraw/zinc/53/88/06/1092538806.db2.gz FNDGJNDHYXHAIP-UHFFFAOYSA-N 0 0 322.364 3.138 20 10 DGCDRN CC(=O)CCC(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001142754258 1092542794 /nfs/dbraw/zinc/54/27/94/1092542794.db2.gz PRADYFZSUQMPTF-KRWDZBQOSA-N 0 0 303.402 3.118 20 10 DGCDRN CC(C)(C)c1cccc(CN2C[C@H](CO)CC(F)(F)C2)c1O ZINC001143103404 1092615439 /nfs/dbraw/zinc/61/54/39/1092615439.db2.gz CIAHPXALKGYRAN-GFCCVEGCSA-N 0 0 313.388 3.139 20 10 DGCDRN Cc1ccc(NC(=O)c2cc3cc(O)c(O)cc3s2)cn1 ZINC001150000363 1092748194 /nfs/dbraw/zinc/74/81/94/1092748194.db2.gz KMAYSGQCIKDYMO-UHFFFAOYSA-N 0 0 300.339 3.268 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCc3cccc(F)c32)cc1 ZINC001150006828 1092749518 /nfs/dbraw/zinc/74/95/18/1092749518.db2.gz FWNFJVIXFSRAPO-UHFFFAOYSA-N 0 0 312.304 3.191 20 10 DGCDRN CNc1ccc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1F ZINC001150543436 1092791377 /nfs/dbraw/zinc/79/13/77/1092791377.db2.gz OQASELHKAQDJSQ-JTQLQIEISA-N 0 0 318.348 3.073 20 10 DGCDRN CN(C)c1ccc(C[N@H+](C)Cc2cc3c(cn2)OCCC3)cc1 ZINC001209511310 1092801517 /nfs/dbraw/zinc/80/15/17/1092801517.db2.gz REMWHXVVEKUQOR-UHFFFAOYSA-N 0 0 311.429 3.105 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(CN2CC[C@@](C)(O)[C@@H](F)C2)cc1 ZINC001209516448 1092805712 /nfs/dbraw/zinc/80/57/12/1092805712.db2.gz GTAQENWNOTYEBO-RBUKOAKNSA-N 0 0 316.420 3.389 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(CN(C)Cc2noc(C)n2)cc1 ZINC001209516720 1092806345 /nfs/dbraw/zinc/80/63/45/1092806345.db2.gz NAYIQFSHNBKTNI-UHFFFAOYSA-N 0 0 310.401 3.418 20 10 DGCDRN O=C(c1cc2cccc(F)c2[nH]1)N1CCc2cccc(O)c2C1 ZINC001150758872 1092819883 /nfs/dbraw/zinc/81/98/83/1092819883.db2.gz ITTKCEAOTPMKKZ-UHFFFAOYSA-N 0 0 310.328 3.211 20 10 DGCDRN O=C1CCCN1c1ccc(Nc2ccc3c(c2)OCCN3)cc1 ZINC001209728638 1092894431 /nfs/dbraw/zinc/89/44/31/1092894431.db2.gz UKJPIYYBOKYMHY-UHFFFAOYSA-N 0 0 309.369 3.361 20 10 DGCDRN COc1cc(OC)c(Nc2ccc3c(c2)OCCN3)c(OC)c1 ZINC001209767049 1092910777 /nfs/dbraw/zinc/91/07/77/1092910777.db2.gz ILOXDKSFQJKFHG-UHFFFAOYSA-N 0 0 316.357 3.260 20 10 DGCDRN CC(C)NC(=O)c1cccc(Nc2ccc3c(c2)OCCN3)c1 ZINC001209766895 1092911731 /nfs/dbraw/zinc/91/17/31/1092911731.db2.gz XWKTXZCUJJSEQX-UHFFFAOYSA-N 0 0 311.385 3.373 20 10 DGCDRN COC(=O)c1ccc(Nc2ccc3c(c2)OCCN3)c(F)c1 ZINC001209766938 1092911799 /nfs/dbraw/zinc/91/17/99/1092911799.db2.gz YUEZCWCWVLAZKW-UHFFFAOYSA-N 0 0 302.305 3.160 20 10 DGCDRN COC(=O)c1cc(F)c(C)c(Nc2ccc3c(c2)OCCN3)c1 ZINC001209788414 1092923823 /nfs/dbraw/zinc/92/38/23/1092923823.db2.gz CLVZKHNSGNUBNY-UHFFFAOYSA-N 0 0 316.332 3.469 20 10 DGCDRN Cc1cc(N)ncc1-n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001209966617 1092998042 /nfs/dbraw/zinc/99/80/42/1092998042.db2.gz BHXYTNYUPZZWSY-GFIZNMFYSA-N 0 0 319.372 3.240 20 10 DGCDRN [O-]c1c(Cl)cccc1CN1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001210354945 1093134682 /nfs/dbraw/zinc/13/46/82/1093134682.db2.gz GDQDYVPTQQRUOR-INIZCTEOSA-N 0 0 316.832 3.062 20 10 DGCDRN Oc1cc(OC(F)(F)F)ccc1Nc1c(F)cncc1F ZINC001214386623 1093765251 /nfs/dbraw/zinc/76/52/51/1093765251.db2.gz HPSMGUNNXLGMBH-UHFFFAOYSA-N 0 0 306.190 3.130 20 10 DGCDRN COc1cc(F)ccc1NC(=O)N[C@H](C)c1ccccc1O ZINC001214421811 1093771953 /nfs/dbraw/zinc/77/19/53/1093771953.db2.gz WRAWZXNQUWXZEH-SNVBAGLBSA-N 0 0 304.321 3.423 20 10 DGCDRN C[C@H](NC(=O)Nc1ccccc1-n1cccn1)c1ccccc1O ZINC001214610376 1093814017 /nfs/dbraw/zinc/81/40/17/1093814017.db2.gz PDNLYNRWYBDEPM-ZDUSSCGKSA-N 0 0 322.368 3.461 20 10 DGCDRN Oc1cccc(-c2nc(-c3cnccc3C(F)(F)F)no2)c1O ZINC001215145955 1093927168 /nfs/dbraw/zinc/92/71/68/1093927168.db2.gz UCQAZFKURFDDBR-UHFFFAOYSA-N 0 0 323.230 3.229 20 10 DGCDRN Oc1ccc(-c2nc(-c3ccc(F)c(Cl)c3)no2)c(O)c1O ZINC001215325335 1093960555 /nfs/dbraw/zinc/96/05/55/1093960555.db2.gz MVDREOMUEJWTPW-UHFFFAOYSA-N 0 0 322.679 3.313 20 10 DGCDRN Cn1ccc2cc(-c3noc(-c4ccc(O)c(O)c4O)n3)ccc21 ZINC001215325443 1093961024 /nfs/dbraw/zinc/96/10/24/1093961024.db2.gz SYVNAQXHMDZWFE-UHFFFAOYSA-N 0 0 323.308 3.012 20 10 DGCDRN Oc1cc(-c2nc(-c3cccc(F)c3Cl)no2)cc(O)c1O ZINC001215327622 1093961549 /nfs/dbraw/zinc/96/15/49/1093961549.db2.gz KXXIASGMYPZNEX-UHFFFAOYSA-N 0 0 322.679 3.313 20 10 DGCDRN CC(C)Oc1cc(N(CCO)c2ccc(N)cc2)ccc1F ZINC001215499542 1093992413 /nfs/dbraw/zinc/99/24/13/1093992413.db2.gz FUQKMWRQAZPCGY-UHFFFAOYSA-N 0 0 304.365 3.326 20 10 DGCDRN CC(C)c1cc(NS(=O)(=O)c2cc(F)ccc2N)ccc1O ZINC001215848337 1094072610 /nfs/dbraw/zinc/07/26/10/1094072610.db2.gz BAJQNUBSKDKJMK-UHFFFAOYSA-N 0 0 324.377 3.038 20 10 DGCDRN Cc1ccnc(-c2noc(-c3ccc(O)c(O)c3Cl)n2)c1 ZINC001216951911 1094283443 /nfs/dbraw/zinc/28/34/43/1094283443.db2.gz PDVOKZBYPCMOSI-UHFFFAOYSA-N 0 0 303.705 3.172 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2COC(C)(C)C2)cc1 ZINC001134807123 1094298612 /nfs/dbraw/zinc/29/86/12/1094298612.db2.gz XBEGSMYMHHBEQV-INIZCTEOSA-N 0 0 312.413 3.391 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCC[C@@H](F)C1 ZINC001119894653 1094304412 /nfs/dbraw/zinc/30/44/12/1094304412.db2.gz LHADQZMTNLEHQH-NWDGAFQWSA-N 0 0 300.370 3.022 20 10 DGCDRN Cc1ccc(C[C@H](C)NC(=O)NCc2ccc(N)cc2)s1 ZINC001120513467 1094445766 /nfs/dbraw/zinc/44/57/66/1094445766.db2.gz LIVKSSVJKFDNMR-NSHDSACASA-N 0 0 303.431 3.069 20 10 DGCDRN Nc1ccc(CNC(=O)NC[C@@H]2CCCc3ccccc32)cc1 ZINC001120569903 1094458667 /nfs/dbraw/zinc/45/86/67/1094458667.db2.gz LWXIZDNMDWMPCP-INIZCTEOSA-N 0 0 309.413 3.188 20 10 DGCDRN Nc1ccc(CNC(=O)NCCC[C@@H]2CC2(Cl)Cl)cc1 ZINC001120641117 1094479209 /nfs/dbraw/zinc/47/92/09/1094479209.db2.gz YYLXUQZTRAKUOW-LLVKDONJSA-N 0 0 316.232 3.042 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@@H]1OC ZINC001120734546 1094507988 /nfs/dbraw/zinc/50/79/88/1094507988.db2.gz MENFJPANSZQPIL-WBVHZDCISA-N 0 0 305.418 3.336 20 10 DGCDRN CO[C@H]1CCC[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC001336439862 1094651127 /nfs/dbraw/zinc/65/11/27/1094651127.db2.gz WRKAQJPDWHUOTA-ROUUACIJSA-N 0 0 318.461 3.305 20 10 DGCDRN COc1ccc(CN2CCc3cccc(F)c3C2)c(O)c1OC ZINC001336687714 1094697058 /nfs/dbraw/zinc/69/70/58/1094697058.db2.gz ZPYQVSVMMMAHLB-UHFFFAOYSA-N 0 0 317.360 3.107 20 10 DGCDRN Nc1ccc(CNC(=O)NCC2CC(c3ccccc3)C2)cc1 ZINC001336890426 1094774780 /nfs/dbraw/zinc/77/47/80/1094774780.db2.gz FWNFCVQOASQENE-UHFFFAOYSA-N 0 0 309.413 3.262 20 10 DGCDRN C[C@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)c1ccccn1 ZINC001136025431 1094804087 /nfs/dbraw/zinc/80/40/87/1094804087.db2.gz KEMBEPVNOXQKEQ-INIZCTEOSA-N 0 0 323.440 3.444 20 10 DGCDRN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)NCc1ccc(N)cc1 ZINC001337018325 1094820324 /nfs/dbraw/zinc/82/03/24/1094820324.db2.gz KDDCLLPEEIOFLQ-HOTGVXAUSA-N 0 0 319.449 3.004 20 10 DGCDRN C[C@@H](NC(=O)Nc1nc(C(F)(F)F)co1)c1ccccc1O ZINC001218647032 1094845109 /nfs/dbraw/zinc/84/51/09/1094845109.db2.gz OAAUXPSRDGBYKH-SSDOTTSWSA-N 0 0 315.251 3.282 20 10 DGCDRN Nc1ccc(CC(=O)Nc2cnnc3ccc(Cl)cc32)cc1 ZINC001218700875 1094852019 /nfs/dbraw/zinc/85/20/19/1094852019.db2.gz UZZUNCWWKGLENK-UHFFFAOYSA-N 0 0 312.760 3.047 20 10 DGCDRN C[C@@H](NC(=O)Nc1cccc2[nH]c(=O)oc21)c1ccccc1O ZINC001219020305 1094930540 /nfs/dbraw/zinc/93/05/40/1094930540.db2.gz TXRAKPWMBGKMPL-SECBINFHSA-N 0 0 313.313 3.122 20 10 DGCDRN Nc1ccc(CC(=O)Nc2ccc(Cl)c3nsnc32)cc1 ZINC001219165574 1094946192 /nfs/dbraw/zinc/94/61/92/1094946192.db2.gz AKFIVNBXEQIGIG-UHFFFAOYSA-N 0 0 318.789 3.108 20 10 DGCDRN CCC(CC)n1nc(C)cc1C(=O)NCc1ccc(N)cc1 ZINC001122536129 1095002633 /nfs/dbraw/zinc/00/26/33/1095002633.db2.gz RUOJUCCKVNUXST-UHFFFAOYSA-N 0 0 300.406 3.065 20 10 DGCDRN Cc1cc(C)cc(OC[C@@H](C)NC(=O)Cc2ccc(N)cc2)c1 ZINC001219711112 1095011824 /nfs/dbraw/zinc/01/18/24/1095011824.db2.gz ABSTTZIBPHZXFX-OAHLLOKOSA-N 0 0 312.413 3.012 20 10 DGCDRN C[C@H]1CCC(F)(F)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001337571267 1095021720 /nfs/dbraw/zinc/02/17/20/1095021720.db2.gz HSEWZEOOOUVINO-VIFPVBQESA-N 0 0 310.304 3.109 20 10 DGCDRN CNc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)cc1F ZINC001136454403 1095045015 /nfs/dbraw/zinc/04/50/15/1095045015.db2.gz XCHGJTYKBRRIGR-UHFFFAOYSA-N 0 0 319.355 3.003 20 10 DGCDRN COc1ccccc1N(C)Cc1cc(F)cc(C(C)=O)c1O ZINC000315185234 1095092884 /nfs/dbraw/zinc/09/28/84/1095092884.db2.gz YRUFRMNTZCLEHD-UHFFFAOYSA-N 0 0 303.333 3.379 20 10 DGCDRN C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC001337801403 1095099826 /nfs/dbraw/zinc/09/98/26/1095099826.db2.gz SCWZGNBWXBDJML-QWRGUYRKSA-N 0 0 324.377 3.071 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)c1cnn(C2CCC2)c1 ZINC001337838542 1095112133 /nfs/dbraw/zinc/11/21/33/1095112133.db2.gz OWDVTMRVSKMYFP-UHFFFAOYSA-N 0 0 317.736 3.050 20 10 DGCDRN CCNC(=O)c1cccc(N[C@H](C)c2ccc(F)cc2O)c1 ZINC000316279428 1095166992 /nfs/dbraw/zinc/16/69/92/1095166992.db2.gz SEWJMVQGOFFPJT-LLVKDONJSA-N 0 0 302.349 3.454 20 10 DGCDRN C[C@@H](Nc1ccc2c(c1)NC(=O)CO2)c1cc(F)ccc1O ZINC000316375733 1095171900 /nfs/dbraw/zinc/17/19/00/1095171900.db2.gz AXVJSTXXJCAWPI-SECBINFHSA-N 0 0 302.305 3.035 20 10 DGCDRN CC(=O)c1cc(F)cc(CN(C)Cc2cccc(C)n2)c1O ZINC000316474463 1095174298 /nfs/dbraw/zinc/17/42/98/1095174298.db2.gz VXDGFWWWDPBFNJ-UHFFFAOYSA-N 0 0 302.349 3.069 20 10 DGCDRN CC(C)C[C@@H]1C[C@H]1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC001221512219 1095289594 /nfs/dbraw/zinc/28/95/94/1095289594.db2.gz USVKSMWVUCKWRB-IAGOWNOFSA-N 0 0 315.461 3.303 20 10 DGCDRN CSCc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001143696325 1095346539 /nfs/dbraw/zinc/34/65/39/1095346539.db2.gz HVLOXUUALGQNFN-UHFFFAOYSA-N 0 0 303.383 3.142 20 10 DGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@H](OCc2ccccc2)C1 ZINC001139684266 1095350575 /nfs/dbraw/zinc/35/05/75/1095350575.db2.gz SJROZQGYOPLWCS-AWEZNQCLSA-N 0 0 319.351 3.462 20 10 DGCDRN CO[C@H]1CCC[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001338688491 1095363373 /nfs/dbraw/zinc/36/33/73/1095363373.db2.gz ULZYVUPPZVDBHJ-MSOLQXFVSA-N 0 0 316.445 3.059 20 10 DGCDRN CO[C@@H]1CCC[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001338688497 1095363653 /nfs/dbraw/zinc/36/36/53/1095363653.db2.gz ULZYVUPPZVDBHJ-ZWKOTPCHSA-N 0 0 316.445 3.059 20 10 DGCDRN Nc1ccc(CNC(=O)N2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC001338792331 1095389123 /nfs/dbraw/zinc/38/91/23/1095389123.db2.gz DJZIBWXKBJQQGL-HNNXBMFYSA-N 0 0 313.376 3.107 20 10 DGCDRN [O-]c1c(F)ccc(F)c1C[NH+]1CCC(c2ccncc2)CC1 ZINC001139684747 1095401234 /nfs/dbraw/zinc/40/12/34/1095401234.db2.gz PMSSSGLOARNOCV-UHFFFAOYSA-N 0 0 304.340 3.445 20 10 DGCDRN CC(=O)c1cccc(S(=O)(=O)Nc2cc(C)c(O)cc2C)c1 ZINC000319714312 1095409919 /nfs/dbraw/zinc/40/99/19/1095409919.db2.gz LSGNVGNMUMTFRO-UHFFFAOYSA-N 0 0 319.382 3.012 20 10 DGCDRN C[C@@H](NC(=O)/C=C\c1nccs1)c1ccc(N(C)C)cc1 ZINC001123737360 1095415193 /nfs/dbraw/zinc/41/51/93/1095415193.db2.gz AYDWFVLRJAZCRK-JLVNDZCYSA-N 0 0 301.415 3.100 20 10 DGCDRN C[C@H](NC(=O)[C@H](CCCO)c1ccccc1)c1ccccc1O ZINC001123869638 1095465487 /nfs/dbraw/zinc/46/54/87/1095465487.db2.gz VJEDUHIWYLBOEY-WMLDXEAASA-N 0 0 313.397 3.126 20 10 DGCDRN [O-]c1c(Cl)cc(F)cc1CN1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222397061 1095593073 /nfs/dbraw/zinc/59/30/73/1095593073.db2.gz ZMJLLKMVONFFLP-INIZCTEOSA-N 0 0 312.816 3.293 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C[C@H]1CCCOC1 ZINC001124550147 1095603087 /nfs/dbraw/zinc/60/30/87/1095603087.db2.gz ZWBKFJUOXFJXJY-QGZVFWFLSA-N 0 0 316.445 3.062 20 10 DGCDRN C[C@H](Nc1ccc(CCC(N)=O)cc1)c1ccc(F)cc1O ZINC001116589423 1095608349 /nfs/dbraw/zinc/60/83/49/1095608349.db2.gz WMBUTUINXSJBGK-NSHDSACASA-N 0 0 302.349 3.122 20 10 DGCDRN Oc1ccc(Br)cc1CNc1ncnc2occc21 ZINC001171166388 1095614018 /nfs/dbraw/zinc/61/40/18/1095614018.db2.gz CNFRNRCSFVSWFF-UHFFFAOYSA-N 0 0 320.146 3.303 20 10 DGCDRN Oc1ccc(Br)cc1CNc1ccc2c(n1)COC2 ZINC001171174395 1095642896 /nfs/dbraw/zinc/64/28/96/1095642896.db2.gz RRDYGXITGKURKM-UHFFFAOYSA-N 0 0 321.174 3.192 20 10 DGCDRN COc1ccc(NCc2cc(Br)ccc2O)nc1C ZINC001171175757 1095643944 /nfs/dbraw/zinc/64/39/44/1095643944.db2.gz CMLWOZQAVNPHKZ-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN Oc1ccc(Br)cc1CNc1nncc2ccoc21 ZINC001171175527 1095645289 /nfs/dbraw/zinc/64/52/89/1095645289.db2.gz OUWKOAGRCQTPJF-UHFFFAOYSA-N 0 0 320.146 3.303 20 10 DGCDRN COc1ncc(C)cc1NCc1cc(Br)ccc1O ZINC001171177879 1095647244 /nfs/dbraw/zinc/64/72/44/1095647244.db2.gz LUXGMKOFAVNWPE-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN Cc1nnc(NCc2cc(Br)ccc2O)c(C)c1C ZINC001171176215 1095649879 /nfs/dbraw/zinc/64/98/79/1095649879.db2.gz ZTCQJFBUGHHVRS-UHFFFAOYSA-N 0 0 322.206 3.482 20 10 DGCDRN [O-]c1c(Cl)cccc1CN1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001222563081 1095669433 /nfs/dbraw/zinc/66/94/33/1095669433.db2.gz GEQAELCPDJEDKT-RDJZCZTQSA-N 0 0 314.816 3.117 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)cc1 ZINC001125235309 1095671837 /nfs/dbraw/zinc/67/18/37/1095671837.db2.gz NMDNZOFQWNVODY-BKPSIGNASA-N 0 0 312.457 3.441 20 10 DGCDRN COc1ccc(CC(=O)Nc2c3nonc3ccc2Cl)cc1 ZINC001116850455 1095680712 /nfs/dbraw/zinc/68/07/12/1095680712.db2.gz ONGAAEZCVNJXHU-UHFFFAOYSA-N 0 0 317.732 3.066 20 10 DGCDRN CC(C)OCC[NH+](CCOC(C)C)Cc1c([O-])cccc1F ZINC001137837319 1095756116 /nfs/dbraw/zinc/75/61/16/1095756116.db2.gz BBDHLMPYXKVECD-UHFFFAOYSA-N 0 0 313.413 3.183 20 10 DGCDRN Cc1cc(CN2Cc3cncnc3C2)c(C)n1-c1ccccc1 ZINC001137854208 1095766519 /nfs/dbraw/zinc/76/65/19/1095766519.db2.gz MTFDBNGJYIYDPL-UHFFFAOYSA-N 0 0 304.397 3.400 20 10 DGCDRN COC1CCC(C(=O)Nc2c3nonc3ccc2Cl)CC1 ZINC001117507669 1095774838 /nfs/dbraw/zinc/77/48/38/1095774838.db2.gz SKPIRYOQHIRTDJ-UHFFFAOYSA-N 0 0 309.753 3.020 20 10 DGCDRN Oc1ccc2c(c1)OCCN(Cc1ccc(N3CCCC3)cc1)C2 ZINC001117628479 1095787379 /nfs/dbraw/zinc/78/73/79/1095787379.db2.gz HJNJRFPVMNHLGW-UHFFFAOYSA-N 0 0 324.424 3.387 20 10 DGCDRN CC(C)(O)C[N@H+](Cc1ccccc1)Cc1cccc(F)c1[O-] ZINC001138129601 1095898390 /nfs/dbraw/zinc/89/83/90/1095898390.db2.gz MDUNJYKYSWDYCO-UHFFFAOYSA-N 0 0 303.377 3.304 20 10 DGCDRN Cc1cccc(CNc2nc(Cl)nc3cnccc32)c1O ZINC001160768995 1095937243 /nfs/dbraw/zinc/93/72/43/1095937243.db2.gz GFGXJXFVDNUUHY-UHFFFAOYSA-N 0 0 300.749 3.304 20 10 DGCDRN CC[C@H](NCc1ccc(N2CCCC2)cc1)C(=O)OC(C)(C)C ZINC001118238661 1095965265 /nfs/dbraw/zinc/96/52/65/1095965265.db2.gz MRFDAHAXIGODJY-KRWDZBQOSA-N 0 0 318.461 3.497 20 10 DGCDRN Oc1cccc(Br)c1CN[C@@H]1CCCc2c[nH]nc21 ZINC001118855160 1096092691 /nfs/dbraw/zinc/09/26/91/1096092691.db2.gz AWLPTKOIGCPHLI-GFCCVEGCSA-N 0 0 322.206 3.045 20 10 DGCDRN COc1cc(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)on1 ZINC001146937431 1096138182 /nfs/dbraw/zinc/13/81/82/1096138182.db2.gz UTWGMMFOZUILCJ-UHFFFAOYSA-N 0 0 323.352 3.112 20 10 DGCDRN CCOc1ccc(N(C)C[C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001119254587 1096146518 /nfs/dbraw/zinc/14/65/18/1096146518.db2.gz ZXLBUXRWMNCYPA-ZDUSSCGKSA-N 0 0 308.422 3.435 20 10 DGCDRN CSc1c(F)cccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001147040657 1096152929 /nfs/dbraw/zinc/15/29/29/1096152929.db2.gz WASAGCUDDTXCHZ-UHFFFAOYSA-N 0 0 307.346 3.140 20 10 DGCDRN Cc1cc([C@H](C)NC(=O)NCc2c(O)cccc2F)c(C)o1 ZINC001341416585 1096172036 /nfs/dbraw/zinc/17/20/36/1096172036.db2.gz YVAIIRFCMSEFEO-JTQLQIEISA-N 0 0 306.337 3.302 20 10 DGCDRN O=C(N[C@H]1CCC[C@H](F)C1)c1cc2cc(O)c(O)cc2s1 ZINC001119562713 1096226474 /nfs/dbraw/zinc/22/64/74/1096226474.db2.gz WUCGNKWVGLOEMG-UWVGGRQHSA-N 0 0 309.362 3.323 20 10 DGCDRN Cc1ccc2oc(CNC(=O)c3ccc(C)c(O)c3O)cc2c1 ZINC001147486211 1096237119 /nfs/dbraw/zinc/23/71/19/1096237119.db2.gz SUMWSOCDPGOXHR-UHFFFAOYSA-N 0 0 311.337 3.391 20 10 DGCDRN Cn1cc(C(=O)N2CCc3cccc(O)c3C2)c2ccccc21 ZINC001148188154 1096323483 /nfs/dbraw/zinc/32/34/83/1096323483.db2.gz ZAOQBFZSXXBNNE-UHFFFAOYSA-N 0 0 306.365 3.082 20 10 DGCDRN Cc1cc(C)cc(C[C@H](C)NC(=O)c2ccc(C)c(O)c2O)c1 ZINC001148218193 1096327422 /nfs/dbraw/zinc/32/74/22/1096327422.db2.gz VUHHOOUWLDINQO-AWEZNQCLSA-N 0 0 313.397 3.384 20 10 DGCDRN O=C(N[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1)c1cccc(O)c1O ZINC001148224453 1096329428 /nfs/dbraw/zinc/32/94/28/1096329428.db2.gz MDEKODIBGCUTOK-MJSCVDMRSA-N 0 0 323.392 3.410 20 10 DGCDRN N=C(NC(=O)c1cccc(O)c1O)C12CC3CC(CC(C3)C1)C2 ZINC001148220143 1096329726 /nfs/dbraw/zinc/32/97/26/1096329726.db2.gz SPBNEVVYWCGICL-UHFFFAOYSA-N 0 0 314.385 3.021 20 10 DGCDRN C[C@@H](CC1CCC1)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC001225138913 1096352527 /nfs/dbraw/zinc/35/25/27/1096352527.db2.gz MPILMWPHDWEEMC-AWEZNQCLSA-N 0 0 315.461 3.447 20 10 DGCDRN COc1nc(NCc2cc3ccccc3cc2O)nc(C)c1F ZINC001171399866 1096660034 /nfs/dbraw/zinc/66/00/34/1096660034.db2.gz OFICTWYNJBLLFQ-UHFFFAOYSA-N 0 0 313.332 3.404 20 10 DGCDRN COc1nc(Cl)nnc1NCc1cc2ccccc2cc1O ZINC001171402205 1096668421 /nfs/dbraw/zinc/66/84/21/1096668421.db2.gz IVXMZTBYDKXUNY-UHFFFAOYSA-N 0 0 316.748 3.005 20 10 DGCDRN O=C1c2cccc(O)c2C(=O)c2c(OC3CC=CC3)cccc21 ZINC001226380163 1096675586 /nfs/dbraw/zinc/67/55/86/1096675586.db2.gz OJHWKUPWKQZDSJ-UHFFFAOYSA-N 0 0 306.317 3.265 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@H]1CC1(C)C ZINC001227301174 1096914126 /nfs/dbraw/zinc/91/41/26/1096914126.db2.gz HURMTHDRRJBFFP-MRXNPFEDSA-N 0 0 315.461 3.474 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)CC1CCC1 ZINC001227355556 1096920253 /nfs/dbraw/zinc/92/02/53/1096920253.db2.gz LBRLOQBWQZZDFV-CQSZACIVSA-N 0 0 303.450 3.439 20 10 DGCDRN C[C@@H](NC(=O)CSc1ccc(O)cc1)c1ccccc1O ZINC001171723574 1096954158 /nfs/dbraw/zinc/95/41/58/1096954158.db2.gz VBWOVUUJXYHMKG-LLVKDONJSA-N 0 0 303.383 3.067 20 10 DGCDRN C[C@@H](NC(=O)[C@H](C)Oc1ccc(F)c(F)c1)c1ccccc1O ZINC001171723185 1096954353 /nfs/dbraw/zinc/95/43/53/1096954353.db2.gz NNETYRORSJLSNZ-MNOVXSKESA-N 0 0 321.323 3.315 20 10 DGCDRN CC(=O)Nc1cc(C(=O)N[C@H](C)c2ccccc2O)ccc1C ZINC001171723015 1096954432 /nfs/dbraw/zinc/95/44/32/1096954432.db2.gz JMFXYMYHFIBHDU-GFCCVEGCSA-N 0 0 312.369 3.150 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)c2ccccc2O)nn1-c1ccccc1 ZINC001171722740 1096954532 /nfs/dbraw/zinc/95/45/32/1096954532.db2.gz CMRHKBONPVWCIE-CQSZACIVSA-N 0 0 321.380 3.377 20 10 DGCDRN C[C@@H](NC(=O)c1cc(Cl)c(F)cc1N)c1ccccc1O ZINC001171723098 1096954624 /nfs/dbraw/zinc/95/46/24/1096954624.db2.gz MDRBIZZXRMTDFW-MRVPVSSYSA-N 0 0 308.740 3.258 20 10 DGCDRN C[C@@H]1[C@H](Oc2ccc(N(C)C)cc2)CN1C(=O)OC(C)(C)C ZINC001227939039 1097017052 /nfs/dbraw/zinc/01/70/52/1097017052.db2.gz IXAXMCURVSKZSD-IUODEOHRSA-N 0 0 306.406 3.139 20 10 DGCDRN CC[C@H](COC)Oc1c(O)c(O)ccc1C(=O)c1ccccc1 ZINC001227938155 1097017230 /nfs/dbraw/zinc/01/72/30/1097017230.db2.gz RKZAHEIJHHJXKN-CYBMUJFWSA-N 0 0 316.353 3.133 20 10 DGCDRN C[C@H](Oc1c(O)c(O)ccc1C(=O)c1ccc(O)cc1)C1CC1 ZINC001228116306 1097054435 /nfs/dbraw/zinc/05/44/35/1097054435.db2.gz XVOTZEHNWOTZMC-JTQLQIEISA-N 0 0 314.337 3.212 20 10 DGCDRN CC(=O)N1CCN(c2ccc(OC(C(C)C)C(C)C)cc2)CC1 ZINC001228199439 1097072238 /nfs/dbraw/zinc/07/22/38/1097072238.db2.gz CPGQBYMZYGZFJZ-UHFFFAOYSA-N 0 0 318.461 3.415 20 10 DGCDRN CC(=O)N1CCN(c2ccc(O[C@H]3CCCC[C@@H]3F)cc2)CC1 ZINC001228200989 1097072813 /nfs/dbraw/zinc/07/28/13/1097072813.db2.gz KAODGCOMVPNVJV-ROUUACIJSA-N 0 0 320.408 3.015 20 10 DGCDRN CCN(CC(=O)OC)Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001248884834 1097110132 /nfs/dbraw/zinc/11/01/32/1097110132.db2.gz DKVPVCPGDHZONZ-UHFFFAOYSA-N 0 0 313.825 3.338 20 10 DGCDRN COc1cc(-c2noc(-c3nnsc3C3CC3)n2)ccc1F ZINC001212679524 1097227454 /nfs/dbraw/zinc/22/74/54/1097227454.db2.gz IADUUPJYLPTCRN-UHFFFAOYSA-N 0 0 318.333 3.280 20 10 DGCDRN COc1ccccc1-c1noc(-c2nnsc2C(C)C)n1 ZINC001212687423 1097259688 /nfs/dbraw/zinc/25/96/88/1097259688.db2.gz RYGTZICDQHIGCV-UHFFFAOYSA-N 0 0 302.359 3.387 20 10 DGCDRN CC(C)c1snnc1-c1nc(-c2ccc(N(C)C)cc2)no1 ZINC001212687539 1097260382 /nfs/dbraw/zinc/26/03/82/1097260382.db2.gz YIFHFIOLSOOGBE-UHFFFAOYSA-N 0 0 315.402 3.445 20 10 DGCDRN O=C1c2cccc(OC3CC=CC3)c2C(=O)c2cccc(O)c21 ZINC001229186091 1097273861 /nfs/dbraw/zinc/27/38/61/1097273861.db2.gz GJKWECZBYXPRDE-UHFFFAOYSA-N 0 0 306.317 3.265 20 10 DGCDRN CC[C@@H](C)Oc1cc(O)c(O)c2c1C(=O)c1ccccc1C2=O ZINC001229196583 1097275675 /nfs/dbraw/zinc/27/56/75/1097275675.db2.gz FWBLOKLVLXNYNB-SECBINFHSA-N 0 0 312.321 3.051 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H]1CC1(C)C ZINC001230196309 1097457242 /nfs/dbraw/zinc/45/72/42/1097457242.db2.gz YEQFDMUYDBAFIP-CJNGLKHVSA-N 0 0 303.450 3.090 20 10 DGCDRN O=C1c2ccccc2C(=O)c2c(Nc3cccnc3)ccc(O)c21 ZINC001173856794 1097520038 /nfs/dbraw/zinc/52/00/38/1097520038.db2.gz GXYCGRNAMQMKAL-UHFFFAOYSA-N 0 0 316.316 3.306 20 10 DGCDRN NC(=O)Cc1cccc(C(=O)c2ccccc2)c1NC1=CCCC1 ZINC001173999180 1097571675 /nfs/dbraw/zinc/57/16/75/1097571675.db2.gz GNOMSIOUKRUMEM-UHFFFAOYSA-N 0 0 320.392 3.425 20 10 DGCDRN CC(C)(C)NC(=O)c1ccc(Nc2cccc(O)c2O)cc1 ZINC001174126226 1097616253 /nfs/dbraw/zinc/61/62/53/1097616253.db2.gz IZLGDXXTJAPFEU-UHFFFAOYSA-N 0 0 300.358 3.370 20 10 DGCDRN CCCCNC(=O)c1cccc(Nc2cccc(O)c2O)c1 ZINC001174189650 1097638525 /nfs/dbraw/zinc/63/85/25/1097638525.db2.gz HFOAPXAUUQYJEV-UHFFFAOYSA-N 0 0 300.358 3.371 20 10 DGCDRN Cc1ccc2c(c1Nc1cnn(C)c1)C(=O)c1ccccc1C2=O ZINC001174330778 1097678333 /nfs/dbraw/zinc/67/83/33/1097678333.db2.gz QHNMTBKXQNNPDQ-UHFFFAOYSA-N 0 0 317.348 3.248 20 10 DGCDRN O=C1c2ccccc2C(=O)c2cc(O[C@H]3CCCOC3)ccc21 ZINC001231265425 1097708497 /nfs/dbraw/zinc/70/84/97/1097708497.db2.gz FAEQAPWCQRJUHJ-ZDUSSCGKSA-N 0 0 308.333 3.020 20 10 DGCDRN CC(C)[C@H](C)Oc1cc(O)ccc1C(=O)c1ccc(O)c(O)c1 ZINC001231341947 1097725755 /nfs/dbraw/zinc/72/57/55/1097725755.db2.gz RKNYOUKBIMBLAZ-NSHDSACASA-N 0 0 316.353 3.458 20 10 DGCDRN O=C([O-])c1ccc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c(O)c1 ZINC001231452708 1097751973 /nfs/dbraw/zinc/75/19/73/1097751973.db2.gz SFYSGEFDEUYBRZ-HNNXBMFYSA-N 0 0 311.381 3.155 20 10 DGCDRN C[N@H+](Cc1ccc(C(=O)[O-])cc1O)Cc1cccc2cccnc21 ZINC001231452988 1097753607 /nfs/dbraw/zinc/75/36/07/1097753607.db2.gz YXKIUETUAXDOLK-UHFFFAOYSA-N 0 0 322.364 3.271 20 10 DGCDRN COc1ccc(Br)c(CN2CCC(F)(F)C2)c1O ZINC001231548748 1097773841 /nfs/dbraw/zinc/77/38/41/1097773841.db2.gz ZHUDMROECSJYDI-UHFFFAOYSA-N 0 0 322.149 3.004 20 10 DGCDRN COc1ccc(Br)c(CN2CC(C)(C)C2)c1O ZINC001231547465 1097778265 /nfs/dbraw/zinc/77/82/65/1097778265.db2.gz GHWPSGYPNTUQPW-UHFFFAOYSA-N 0 0 300.196 3.005 20 10 DGCDRN O=C([O-])c1ccc(O)c(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC001231563533 1097780081 /nfs/dbraw/zinc/78/00/81/1097780081.db2.gz CCSXHTJJLQXEIG-CQSZACIVSA-N 0 0 315.344 3.219 20 10 DGCDRN CC[N@H+](Cc1cccc(F)c1)Cc1cc(C(=O)[O-])ccc1O ZINC001231565259 1097780784 /nfs/dbraw/zinc/78/07/84/1097780784.db2.gz CKINLCPTQXXVFH-UHFFFAOYSA-N 0 0 303.333 3.252 20 10 DGCDRN O=C1CN(Cc2c(O)ccc3ccccc32)CCN1C1CCCC1 ZINC001231590276 1097785395 /nfs/dbraw/zinc/78/53/95/1097785395.db2.gz PNRZFIYPNADBLU-UHFFFAOYSA-N 0 0 324.424 3.132 20 10 DGCDRN Cc1nc([C@H]2COCCN2Cc2c(C)cc(C)cc2O)cs1 ZINC001231844233 1097862586 /nfs/dbraw/zinc/86/25/86/1097862586.db2.gz JMSFBKYANLBJJN-MRXNPFEDSA-N 0 0 318.442 3.347 20 10 DGCDRN Cc1cc(O)c(CN2CCOC[C@@H]2c2cccnc2)cc1Cl ZINC001231870150 1097869556 /nfs/dbraw/zinc/86/95/56/1097869556.db2.gz LTLOLQZAQPAXLY-MRXNPFEDSA-N 0 0 318.804 3.323 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC2(CC(F)(F)CO2)CC1 ZINC001231909814 1097889089 /nfs/dbraw/zinc/88/90/89/1097889089.db2.gz JKPYEKJDHVSPJS-UHFFFAOYSA-N 0 0 317.763 3.436 20 10 DGCDRN [O-]c1c(Cl)cccc1CN1CC[NH+](CC2CCCC2)CC1 ZINC001231912219 1097890036 /nfs/dbraw/zinc/89/00/36/1097890036.db2.gz ZWOWCVNBJSOGKU-UHFFFAOYSA-N 0 0 308.853 3.353 20 10 DGCDRN [O-]c1c(Cl)cccc1CN1CCO[C@@H](c2ccncc2)C1 ZINC001231914558 1097892178 /nfs/dbraw/zinc/89/21/78/1097892178.db2.gz NYWLLIWHDQILMD-OAHLLOKOSA-N 0 0 304.777 3.014 20 10 DGCDRN CC(C)C(=O)N(C)C1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC001231913959 1097892411 /nfs/dbraw/zinc/89/24/11/1097892411.db2.gz VUQNZFXQFGINKI-UHFFFAOYSA-N 0 0 324.852 3.124 20 10 DGCDRN O=C(c1ccc(Br)cc1)N1Cc2cccc(O)c2C1 ZINC001175031899 1097924749 /nfs/dbraw/zinc/92/47/49/1097924749.db2.gz VRSDKYYWNWEILY-UHFFFAOYSA-N 0 0 318.170 3.311 20 10 DGCDRN Cc1nnc(CN(C)Cc2ccc(N3CCCC3)cc2)s1 ZINC001232245998 1097980420 /nfs/dbraw/zinc/98/04/20/1097980420.db2.gz VNIROYLZJPKXBG-UHFFFAOYSA-N 0 0 302.447 3.079 20 10 DGCDRN COc1ccc2c(c1)CN(Cc1cc(Cl)c(O)cc1O)CC2 ZINC001232260856 1097984701 /nfs/dbraw/zinc/98/47/01/1097984701.db2.gz RXYQUQVKWCPOHI-UHFFFAOYSA-N 0 0 319.788 3.318 20 10 DGCDRN Oc1cc(O)c(CN2CCC[C@@H](F)C(F)(F)C2)cc1Cl ZINC001232261210 1097985300 /nfs/dbraw/zinc/98/53/00/1097985300.db2.gz WZSKIOTUUOEIGJ-GFCCVEGCSA-N 0 0 309.715 3.320 20 10 DGCDRN Oc1cc(O)c(CN2CC(Oc3ccccc3)C2)cc1Cl ZINC001232267751 1097987803 /nfs/dbraw/zinc/98/78/03/1097987803.db2.gz LDCOTEAHKBYTEO-UHFFFAOYSA-N 0 0 305.761 3.014 20 10 DGCDRN COc1ccc2c(c1)CN(Cc1cc(Cl)c(O)cc1O)C2 ZINC001232268247 1097988268 /nfs/dbraw/zinc/98/82/68/1097988268.db2.gz NKPAYHZGYJKBGJ-UHFFFAOYSA-N 0 0 305.761 3.276 20 10 DGCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1-c1ccc(CO)cc1 ZINC001175563866 1098098899 /nfs/dbraw/zinc/09/88/99/1098098899.db2.gz XUMPIZHNRDYAOI-VBGCDCBSSA-N 0 0 319.368 3.447 20 10 DGCDRN Cc1nc(N)ncc1Nc1ccccc1Cc1ccc(N)cc1 ZINC001175670420 1098132587 /nfs/dbraw/zinc/13/25/87/1098132587.db2.gz DYGGWAXAXMGDRP-UHFFFAOYSA-N 0 0 305.385 3.284 20 10 DGCDRN Nc1ccc(N(CCO)c2ccc(-c3ccccc3)nc2)cc1 ZINC001175833427 1098176680 /nfs/dbraw/zinc/17/66/80/1098176680.db2.gz RAOIDPJBOJRVMF-UHFFFAOYSA-N 0 0 305.381 3.461 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1cc(O)c(F)c(F)c1)CCC2 ZINC001232975724 1098191472 /nfs/dbraw/zinc/19/14/72/1098191472.db2.gz NEYSAOMLKNXYCI-UHFFFAOYSA-N 0 0 321.323 3.030 20 10 DGCDRN [O-]c1c(C[NH+]2CCN(c3ccc(F)cc3)CC2)ccc(F)c1F ZINC001233074853 1098219341 /nfs/dbraw/zinc/21/93/41/1098219341.db2.gz YMOQDGRVDXFNDU-UHFFFAOYSA-N 0 0 322.330 3.132 20 10 DGCDRN Cc1cccnc1O[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001233079425 1098220407 /nfs/dbraw/zinc/22/04/07/1098220407.db2.gz BNFGAEKRLULIIB-ZDUSSCGKSA-N 0 0 320.339 3.027 20 10 DGCDRN C[N@H+](Cc1cccc2c1OCO2)Cc1ccc(F)c(F)c1[O-] ZINC001233079338 1098221259 /nfs/dbraw/zinc/22/12/59/1098221259.db2.gz AAFDDYHOAJVPHT-UHFFFAOYSA-N 0 0 307.296 3.031 20 10 DGCDRN Cc1ccc2ccc(F)c(N(CCO)c3ccc(N)cc3)c2n1 ZINC001176116355 1098263946 /nfs/dbraw/zinc/26/39/46/1098263946.db2.gz ZEXMTBNIEZGRHA-UHFFFAOYSA-N 0 0 311.360 3.395 20 10 DGCDRN CCOC(=O)[C@]12C[C@H]1CCN2Cc1cc(C(C)(C)C)ccc1O ZINC001233284073 1098275125 /nfs/dbraw/zinc/27/51/25/1098275125.db2.gz HKOPOFMQPDGSCG-BEFAXECRSA-N 0 0 317.429 3.217 20 10 DGCDRN COc1cc(Cl)cc(CN2CCC(=O)[C@H]3CCCC[C@@H]32)c1O ZINC001233287271 1098276763 /nfs/dbraw/zinc/27/67/63/1098276763.db2.gz FPIMMAJXRRRSNK-KBPBESRZSA-N 0 0 323.820 3.388 20 10 DGCDRN COc1cc(Cl)cc(CN2CCC(F)(F)[C@@H](F)C2)c1O ZINC001233288078 1098277671 /nfs/dbraw/zinc/27/76/71/1098277671.db2.gz UWWRROSMIHGCKV-NSHDSACASA-N 0 0 309.715 3.233 20 10 DGCDRN Oc1ccc(F)c(F)c1CN1CC(Oc2ccccc2F)C1 ZINC001233335389 1098292579 /nfs/dbraw/zinc/29/25/79/1098292579.db2.gz SQIPOXCJGBWZPC-UHFFFAOYSA-N 0 0 309.287 3.073 20 10 DGCDRN Cc1cccc(N2CCN(Cc3c(O)ccc(F)c3F)CC2)c1 ZINC001233331693 1098292811 /nfs/dbraw/zinc/29/28/11/1098292811.db2.gz HCLCCIBVXFDTPY-UHFFFAOYSA-N 0 0 318.367 3.301 20 10 DGCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001233334561 1098292965 /nfs/dbraw/zinc/29/29/65/1098292965.db2.gz LWNVSKVXOXZCCM-GFCCVEGCSA-N 0 0 304.340 3.445 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC[C@@]3(CCOC3)C2)cccc1C(F)(F)F ZINC001233416241 1098322447 /nfs/dbraw/zinc/32/24/47/1098322447.db2.gz BFCVWHVWCIPUEL-CQSZACIVSA-N 0 0 301.308 3.023 20 10 DGCDRN C[C@H]1CCN(Cc2cccc(C(F)(F)F)c2O)CCC1=O ZINC001233415800 1098322753 /nfs/dbraw/zinc/32/27/53/1098322753.db2.gz ITCJEFUFGWXWAO-JTQLQIEISA-N 0 0 301.308 3.212 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)cccc1C(F)(F)F ZINC001233416181 1098322893 /nfs/dbraw/zinc/32/28/93/1098322893.db2.gz YRKRLRIGGUKWOE-SMDDNHRTSA-N 0 0 315.335 3.412 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)cccc1C(F)(F)F ZINC001233419358 1098324290 /nfs/dbraw/zinc/32/42/90/1098324290.db2.gz VCPPWGXCYMWKNO-GXFFZTMASA-N 0 0 301.308 3.022 20 10 DGCDRN CO[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233418564 1098326358 /nfs/dbraw/zinc/32/63/58/1098326358.db2.gz LZMDYBWSCMSKOW-GFCCVEGCSA-N 0 0 303.324 3.412 20 10 DGCDRN Cc1nc2c(o1)CCN(Cc1ccc(C(F)(F)F)cc1O)C2 ZINC001233455305 1098340618 /nfs/dbraw/zinc/34/06/18/1098340618.db2.gz FIUAGZGUGSYBOH-UHFFFAOYSA-N 0 0 312.291 3.266 20 10 DGCDRN Cc1cc(CN(C)Cc2ccc(C(F)(F)F)cc2O)n(C)n1 ZINC001233454290 1098340739 /nfs/dbraw/zinc/34/07/39/1098340739.db2.gz OQYZUBHJKIEIII-UHFFFAOYSA-N 0 0 313.323 3.085 20 10 DGCDRN O=C(CCc1cccc(Cl)c1)NCc1cccc(O)c1O ZINC001176564453 1098387632 /nfs/dbraw/zinc/38/76/32/1098387632.db2.gz AWRZPTZDVONVGX-UHFFFAOYSA-N 0 0 305.761 3.000 20 10 DGCDRN CCN1CCc2cc(OC[C@H]3COc4ccccc4O3)ccc21 ZINC001233607888 1098388725 /nfs/dbraw/zinc/38/87/25/1098388725.db2.gz OSJWKFIQLCBNDK-INIZCTEOSA-N 0 0 311.381 3.288 20 10 DGCDRN CN(Cc1cscn1)Cc1cccc(OC(F)(F)F)c1O ZINC001233767423 1098427564 /nfs/dbraw/zinc/42/75/64/1098427564.db2.gz BZIMVSIDCOIZDF-UHFFFAOYSA-N 0 0 318.320 3.379 20 10 DGCDRN O=c1cc2[nH]cnc(O[C@@H]3CCc4cc(F)ccc43)c-2cc1O ZINC001233949154 1098464904 /nfs/dbraw/zinc/46/49/04/1098464904.db2.gz YDWVFBYZISSNSZ-MRXNPFEDSA-N 0 0 312.300 3.246 20 10 DGCDRN Cc1cccc2c1[C@@H](Oc1nc[nH]c3cc(=O)c(O)cc1-3)CC2 ZINC001233949473 1098464983 /nfs/dbraw/zinc/46/49/83/1098464983.db2.gz INRWKMVNKQTRIZ-INIZCTEOSA-N 0 0 308.337 3.416 20 10 DGCDRN C[C@H](Oc1nc[nH]c2cc(=O)c(O)cc1-2)c1cccnc1Cl ZINC001233949387 1098464996 /nfs/dbraw/zinc/46/49/96/1098464996.db2.gz FYQSNSQZEDUJQU-QMMMGPOBSA-N 0 0 317.732 3.229 20 10 DGCDRN C[C@H](Oc1nc[nH]c2cc(=O)c(O)cc1-2)c1ccc(F)cc1 ZINC001233948994 1098465010 /nfs/dbraw/zinc/46/50/10/1098465010.db2.gz SBVXJIGMNRBNPI-VIFPVBQESA-N 0 0 300.289 3.320 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3CCC(=O)C(C)(C)C3)c2c1 ZINC001234562762 1098602596 /nfs/dbraw/zinc/60/25/96/1098602596.db2.gz SJOUTUQXSJNZKR-UHFFFAOYSA-N 0 0 313.397 3.355 20 10 DGCDRN Cn1cnc2c1CCN(Cc1cccc(-c3ccccc3)c1O)C2 ZINC001234999608 1098742661 /nfs/dbraw/zinc/74/26/61/1098742661.db2.gz XLUQOJJMDPSXMO-UHFFFAOYSA-N 0 0 319.408 3.351 20 10 DGCDRN CC1(C)[C@@H]2C[N@@H+](Cc3cc(Br)cc(F)c3[O-])C[C@@H]21 ZINC001235069316 1098782745 /nfs/dbraw/zinc/78/27/45/1098782745.db2.gz QFARQWHBBMVGID-PHIMTYICSA-N 0 0 314.198 3.382 20 10 DGCDRN Oc1cc(Cl)c(Cl)cc1CN1CCC[C@@]12CC[NH2+]C2 ZINC001235108633 1098807068 /nfs/dbraw/zinc/80/70/68/1098807068.db2.gz BVUACWLEUFNTCU-AWEZNQCLSA-N 0 0 301.217 3.027 20 10 DGCDRN CCCn1nccc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001179032418 1099005825 /nfs/dbraw/zinc/00/58/25/1099005825.db2.gz GDWQMOBRSGBSRI-UHFFFAOYSA-N 0 0 309.369 3.082 20 10 DGCDRN Cc1ccnc(CN2CCCc3cc(O)c(O)cc3C2)c1Cl ZINC001235589683 1099093417 /nfs/dbraw/zinc/09/34/17/1099093417.db2.gz XJDMHVMXHUQWAP-UHFFFAOYSA-N 0 0 318.804 3.403 20 10 DGCDRN CCc1cnc(NC(=O)c2cc3cc(O)c(O)cc3s2)o1 ZINC001179412541 1099100461 /nfs/dbraw/zinc/10/04/61/1099100461.db2.gz BCQSARSDOSGQPU-UHFFFAOYSA-N 0 0 304.327 3.115 20 10 DGCDRN CC(C)(C)c1ccc(CN2CC(F)(F)C[C@@]2(C)CO)c(O)c1 ZINC001235673952 1099116401 /nfs/dbraw/zinc/11/64/01/1099116401.db2.gz BYGQSOCZGNMAGQ-INIZCTEOSA-N 0 0 313.388 3.282 20 10 DGCDRN CC(C)(C)c1ccc(CN2C[C@@H](CO)CC(F)(F)C2)c(O)c1 ZINC001235674889 1099118668 /nfs/dbraw/zinc/11/86/68/1099118668.db2.gz ICHJDQSSQGYLIO-LBPRGKRZSA-N 0 0 313.388 3.139 20 10 DGCDRN CCCN(CC(=O)OCC)Cc1ccc(C(C)(C)C)cc1O ZINC001235678748 1099121830 /nfs/dbraw/zinc/12/18/30/1099121830.db2.gz MLIYSDDIRLOZNV-UHFFFAOYSA-N 0 0 307.434 3.465 20 10 DGCDRN CCOC(=O)CN(Cc1c(O)cc(C)cc1Cl)CC(C)C ZINC001179868251 1099232053 /nfs/dbraw/zinc/23/20/53/1099232053.db2.gz ADVSEGAMAGXVBS-UHFFFAOYSA-N 0 0 313.825 3.375 20 10 DGCDRN CC(C)C[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CC[NH2+]1 ZINC001235884450 1099233708 /nfs/dbraw/zinc/23/37/08/1099233708.db2.gz IZISGPPMZDWCLE-ZDUSSCGKSA-N 0 0 300.805 3.005 20 10 DGCDRN Cc1cc2c(cn1)[C@@H](NC(=O)/C=C/c1ccc(N(C)C)cc1)CC2 ZINC001180130206 1099309114 /nfs/dbraw/zinc/30/91/14/1099309114.db2.gz BGGQPBYUJLWGOF-NJGYHNCTSA-N 0 0 321.424 3.273 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)NC[C@H]2CCOC(C)(C)C2)cc1 ZINC001180130690 1099309408 /nfs/dbraw/zinc/30/94/08/1099309408.db2.gz WEAXWUBQHADNET-JCVNQNCUSA-N 0 0 316.445 3.087 20 10 DGCDRN COc1ccc(NC(=O)/C=C/c2ccc(N(C)C)cc2)c(C)n1 ZINC001180122213 1099321138 /nfs/dbraw/zinc/32/11/38/1099321138.db2.gz MBZHMOONAOXQQF-YRNVUSSQSA-N 0 0 311.385 3.117 20 10 DGCDRN COc1cc(NC(=O)/C=C/c2ccc(N(C)C)cc2)c(C)cn1 ZINC001180123371 1099321491 /nfs/dbraw/zinc/32/14/91/1099321491.db2.gz RIOTYKSZZFQZCN-JXMROGBWSA-N 0 0 311.385 3.117 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)Nc2nnc(C(C)(C)C)o2)cc1 ZINC001180122170 1099321878 /nfs/dbraw/zinc/32/18/78/1099321878.db2.gz KFICULWMBRYPRE-DHZHZOJOSA-N 0 0 314.389 3.085 20 10 DGCDRN CC(C)c1ccc(O)c(CN(C)Cc2nnc3ccccn32)c1 ZINC001180194486 1099350856 /nfs/dbraw/zinc/35/08/56/1099350856.db2.gz FJWNZOBBPDGXSS-UHFFFAOYSA-N 0 0 310.401 3.190 20 10 DGCDRN Nc1ccc2c(c1)CCN(Cc1c(O)ccc(F)c1Cl)C2 ZINC001236105756 1099393735 /nfs/dbraw/zinc/39/37/35/1099393735.db2.gz MXPIOYZDWWSLHG-UHFFFAOYSA-N 0 0 306.768 3.325 20 10 DGCDRN CC(C)Oc1ncccc1-c1ccn(Cc2cccnc2)c(=O)c1 ZINC001236105498 1099394202 /nfs/dbraw/zinc/39/42/02/1099394202.db2.gz FMRPMDIHZPSFRZ-UHFFFAOYSA-N 0 0 321.380 3.141 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@]1(C)CCCO1 ZINC001180476899 1099417544 /nfs/dbraw/zinc/41/75/44/1099417544.db2.gz BBSNLSYFFJAZCU-QFBILLFUSA-N 0 0 317.429 3.318 20 10 DGCDRN Nc1ccc(C2CC[NH+](Cc3c([O-])cccc3F)CC2)cc1 ZINC001236336684 1099544425 /nfs/dbraw/zinc/54/44/25/1099544425.db2.gz TZSRNSDZIUYJNT-UHFFFAOYSA-N 0 0 300.377 3.493 20 10 DGCDRN CCOc1ncc(Cl)cc1-c1ccn(CC2CC2)c(=O)c1 ZINC001236498398 1099647172 /nfs/dbraw/zinc/64/71/72/1099647172.db2.gz NBCNUUIXYYJMBO-UHFFFAOYSA-N 0 0 304.777 3.372 20 10 DGCDRN COCC[N@H+](Cc1cc(C)cc(Br)c1[O-])C(C)C ZINC001236663194 1099730666 /nfs/dbraw/zinc/73/06/66/1099730666.db2.gz CPCGGRDBZPRFME-UHFFFAOYSA-N 0 0 316.239 3.320 20 10 DGCDRN CC[C@@H](C)[N@H+](C)Cc1cc(OC)c(Br)cc1O ZINC001236744677 1099767404 /nfs/dbraw/zinc/76/74/04/1099767404.db2.gz AUOBGBOPXBTNMA-SECBINFHSA-N 0 0 302.212 3.394 20 10 DGCDRN Oc1cc(CN2CCc3occc3C2)c(O)cc1Br ZINC001236763210 1099774779 /nfs/dbraw/zinc/77/47/79/1099774779.db2.gz WSGBXPFXOILLLM-UHFFFAOYSA-N 0 0 324.174 3.012 20 10 DGCDRN CCc1ccc(CN2CCOC[C@H]2c2csc(C)n2)c(O)c1 ZINC001236787687 1099785252 /nfs/dbraw/zinc/78/52/52/1099785252.db2.gz MUOLBVFEZUCHHZ-INIZCTEOSA-N 0 0 318.442 3.293 20 10 DGCDRN COc1ccc(C[NH+]2CCC3(CCOC3)CC2)c([O-])c1Cl ZINC001236800541 1099792881 /nfs/dbraw/zinc/79/28/81/1099792881.db2.gz AEZKBPMWOROOQB-UHFFFAOYSA-N 0 0 311.809 3.057 20 10 DGCDRN COc1ccc(C[N@@H+]2CC[C@]3(C2)CCCCO3)c([O-])c1Cl ZINC001236802072 1099795563 /nfs/dbraw/zinc/79/55/63/1099795563.db2.gz NUJBCFOUNZWPJG-INIZCTEOSA-N 0 0 311.809 3.199 20 10 DGCDRN CCN(Cc1cc(Cl)c(Cl)cc1O)[C@@H](C)C(=O)OC ZINC001236802313 1099796562 /nfs/dbraw/zinc/79/65/62/1099796562.db2.gz IXWBHOPGQANVKV-QMMMGPOBSA-N 0 0 306.189 3.082 20 10 DGCDRN CC[N@H+](Cc1cccnc1)Cc1ccc(OC)c(Cl)c1[O-] ZINC001236811139 1099799162 /nfs/dbraw/zinc/79/91/62/1099799162.db2.gz HIMGMAOSPDMSPI-UHFFFAOYSA-N 0 0 306.793 3.471 20 10 DGCDRN O=C(c1cccc(-c2cnco2)c1)N1CCc2cccc(O)c2C1 ZINC001188949545 1099907910 /nfs/dbraw/zinc/90/79/10/1099907910.db2.gz HUKBMUUNUWKXRP-UHFFFAOYSA-N 0 0 320.348 3.246 20 10 DGCDRN COC(=O)C1CCN(Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001237079582 1099957658 /nfs/dbraw/zinc/95/76/58/1099957658.db2.gz MNLPNGPSGRDHLO-UHFFFAOYSA-N 0 0 318.200 3.084 20 10 DGCDRN C[N@@H+]1C[C@H]2CCCN(Cc3c(O)ccc(Cl)c3Cl)[C@H]2C1 ZINC001237081858 1099960691 /nfs/dbraw/zinc/96/06/91/1099960691.db2.gz NPCMUZVYYOPAIY-MFKMUULPSA-N 0 0 315.244 3.225 20 10 DGCDRN CN(Cc1cnc2ccccn12)Cc1c(O)ccc(F)c1Cl ZINC001237119795 1099980378 /nfs/dbraw/zinc/98/03/78/1099980378.db2.gz FPAQYTQVZTXVEN-UHFFFAOYSA-N 0 0 319.767 3.464 20 10 DGCDRN COC[C@@]12CCC[C@@H]1C[N@H+](Cc1c(O)ccc(F)c1Cl)C2 ZINC001237122087 1099982429 /nfs/dbraw/zinc/98/24/29/1099982429.db2.gz RJKPZMAPYIWVIM-BZNIZROVSA-N 0 0 313.800 3.433 20 10 DGCDRN C[N@H+](CCc1ccncc1)Cc1cc(C(F)(F)F)ccc1O ZINC001237139794 1099988612 /nfs/dbraw/zinc/98/86/12/1099988612.db2.gz OUIHJMWWBZVOOL-UHFFFAOYSA-N 0 0 310.319 3.481 20 10 DGCDRN [O-]c1c(Cl)cc(F)cc1CN(C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237159899 1100009713 /nfs/dbraw/zinc/00/97/13/1100009713.db2.gz FMPSPVGMGMXRCO-AWEZNQCLSA-N 0 0 312.816 3.291 20 10 DGCDRN CCCCOc1ccc(S(=O)(=O)Nc2ccc(N)cc2)cc1 ZINC001237604843 1100186151 /nfs/dbraw/zinc/18/61/51/1100186151.db2.gz MOAIXAGAPZHKAC-UHFFFAOYSA-N 0 0 320.414 3.249 20 10 DGCDRN Cc1cc(O)c(CN2C[C@@H](C)[C@@H](F)C2)cc1Br ZINC001237676221 1100209810 /nfs/dbraw/zinc/20/98/10/1100209810.db2.gz HECCSXGLYJALRW-SKDRFNHKSA-N 0 0 302.187 3.253 20 10 DGCDRN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@](O)(CF)CC2)c1O ZINC001237681267 1100211949 /nfs/dbraw/zinc/21/19/49/1100211949.db2.gz MEIZYYHGZHFWSG-OAHLLOKOSA-N 0 0 301.789 3.041 20 10 DGCDRN COc1cc2c(cn1)CCN(Cc1cc(Cl)cc(C)c1O)C2 ZINC001237688213 1100213807 /nfs/dbraw/zinc/21/38/07/1100213807.db2.gz GEZFUAJBGNUCRY-UHFFFAOYSA-N 0 0 318.804 3.316 20 10 DGCDRN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(C2)CC(F)(F)CO3)c1O ZINC001237686202 1100215323 /nfs/dbraw/zinc/21/53/23/1100215323.db2.gz ISBAYTGKEOAHJJ-AWEZNQCLSA-N 0 0 317.763 3.354 20 10 DGCDRN C[C@H](NC(=O)Nc1cccc2nsnc21)c1ccccc1O ZINC001190321383 1100239780 /nfs/dbraw/zinc/23/97/80/1100239780.db2.gz OIFAYIDNIQZOLC-VIFPVBQESA-N 0 0 314.370 3.280 20 10 DGCDRN C[C@]1(CO)CCC[N@H+](Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237808101 1100253047 /nfs/dbraw/zinc/25/30/47/1100253047.db2.gz QPPYDUCNNZIDHE-HNNXBMFYSA-N 0 0 301.789 3.169 20 10 DGCDRN Cc1nc(C(F)(F)F)c(C(=O)NCc2ccccc2O)s1 ZINC001190499980 1100281141 /nfs/dbraw/zinc/28/11/41/1100281141.db2.gz JGYDOFWLPQXYGY-UHFFFAOYSA-N 0 0 316.304 3.106 20 10 DGCDRN C[C@H]1C[N@H+](Cc2cc(F)c(Cl)cc2[O-])CCC[C@]1(C)O ZINC001237935037 1100297668 /nfs/dbraw/zinc/29/76/68/1100297668.db2.gz PDKDCFHRXUEIJP-BONVTDFDSA-N 0 0 301.789 3.168 20 10 DGCDRN [O-]c1cc(Cl)c(F)cc1C[N@H+](CCO)Cc1cccs1 ZINC001237938222 1100298307 /nfs/dbraw/zinc/29/83/07/1100298307.db2.gz ZGIAJRMJTPYZDH-UHFFFAOYSA-N 0 0 315.797 3.241 20 10 DGCDRN CC(C)[N@H+](Cc1cc(F)c(Cl)cc1[O-])C1CCN(C)CC1 ZINC001237939436 1100298940 /nfs/dbraw/zinc/29/89/40/1100298940.db2.gz CYIJRRAVHJVHAD-UHFFFAOYSA-N 0 0 314.832 3.489 20 10 DGCDRN Oc1cc(Cl)c(F)cc1CN1CCC[C@@H]1c1ncccn1 ZINC001237944857 1100299437 /nfs/dbraw/zinc/29/94/37/1100299437.db2.gz WSXNMEBKGRWVRB-CYBMUJFWSA-N 0 0 307.756 3.312 20 10 DGCDRN CN(CC(=O)c1ccccc1)Cc1cc(F)c(Cl)cc1O ZINC001237950531 1100301917 /nfs/dbraw/zinc/30/19/17/1100301917.db2.gz WIFHKEVTUXLIGJ-UHFFFAOYSA-N 0 0 307.752 3.499 20 10 DGCDRN Cc1cc(F)cc(CN2CC[C@@H]2N(C)C(=O)OC(C)(C)C)c1O ZINC001238068207 1100349101 /nfs/dbraw/zinc/34/91/01/1100349101.db2.gz UZVNQWIZRRIBEA-CQSZACIVSA-N 0 0 324.396 3.238 20 10 DGCDRN COc1cnc(CN(C)Cc2ccc(N(C)C)cc2)c(Cl)c1 ZINC001238495269 1100459058 /nfs/dbraw/zinc/45/90/58/1100459058.db2.gz VNQDCPULGYEGIS-UHFFFAOYSA-N 0 0 319.836 3.442 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)O[C@H](C)CC(C)C)C2)cc1 ZINC001192415411 1100614456 /nfs/dbraw/zinc/61/44/56/1100614456.db2.gz DGCOPFGCDRREGE-CABCVRRESA-N 0 0 320.433 3.435 20 10 DGCDRN COc1cc(C(=O)Nc2ccc(F)c(C3CC3)c2)cc(O)c1O ZINC001193104816 1100705639 /nfs/dbraw/zinc/70/56/39/1100705639.db2.gz SNEIMXBZOZDYED-UHFFFAOYSA-N 0 0 317.316 3.375 20 10 DGCDRN COc1cc(C(=O)N[C@H]2C[C@H](C)c3ccccc32)cc(O)c1O ZINC001193113748 1100708068 /nfs/dbraw/zinc/70/80/68/1100708068.db2.gz AVSQIYAEWRSTMX-HZMBPMFUSA-N 0 0 313.353 3.085 20 10 DGCDRN COc1cc(C(=O)N[C@@H]2C[C@H](C)CC(C)(C)C2)cc(O)c1O ZINC001193113754 1100708269 /nfs/dbraw/zinc/70/82/69/1100708269.db2.gz BCHUYWQTGQBENM-CMPLNLGQSA-N 0 0 307.390 3.051 20 10 DGCDRN CN(C)c1ccc(-c2nc(C(=O)Nc3cnoc3)cs2)cc1 ZINC001193164113 1100714845 /nfs/dbraw/zinc/71/48/45/1100714845.db2.gz QXTGXPSBVAPHAS-UHFFFAOYSA-N 0 0 314.370 3.116 20 10 DGCDRN Cc1cccc(CNC(=O)N[C@H](C)c2ccc(F)cc2)c1O ZINC001193166783 1100714893 /nfs/dbraw/zinc/71/48/93/1100714893.db2.gz LWQDNXMSXNBYMJ-GFCCVEGCSA-N 0 0 302.349 3.400 20 10 DGCDRN O=C(Nc1cccc2cc[nH]c21)c1ccc(O)c(O)c1Cl ZINC001193230244 1100722144 /nfs/dbraw/zinc/72/21/44/1100722144.db2.gz RYNJXIFDAULFBJ-UHFFFAOYSA-N 0 0 302.717 3.485 20 10 DGCDRN COC(=O)COc1ccc(N(C)CCc2cccc(F)c2)cc1 ZINC001193311617 1100727114 /nfs/dbraw/zinc/72/71/14/1100727114.db2.gz SPIDESWMLSMIQF-UHFFFAOYSA-N 0 0 317.360 3.056 20 10 DGCDRN CCCCCNC(=O)N1CCN(c2ccc(OC)cc2C)CC1 ZINC001193317072 1100733470 /nfs/dbraw/zinc/73/34/70/1100733470.db2.gz CDZDHEHFCOWDFC-UHFFFAOYSA-N 0 0 319.449 3.025 20 10 DGCDRN CCCCCOC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC001193740812 1100796258 /nfs/dbraw/zinc/79/62/58/1100796258.db2.gz XFOFBMSZYDTLBC-UHFFFAOYSA-N 0 0 306.406 3.144 20 10 DGCDRN CC(C)COC(=O)NCc1ccc(Br)cc1O ZINC001193862444 1100829183 /nfs/dbraw/zinc/82/91/83/1100829183.db2.gz ASHOXFLITUFSDV-UHFFFAOYSA-N 0 0 302.168 3.037 20 10 DGCDRN O=c1cc(-c2ccc3nccn3c2)ccn1Cc1ccc(F)cc1 ZINC001240222046 1100901065 /nfs/dbraw/zinc/90/10/65/1100901065.db2.gz VNUBUXMGALKJNP-UHFFFAOYSA-N 0 0 319.339 3.350 20 10 DGCDRN Cn1cc(-c2ncnc3c2ccn3Cc2ccccc2F)cn1 ZINC001240293699 1100930275 /nfs/dbraw/zinc/93/02/75/1100930275.db2.gz HUNRROMGAPXXHO-UHFFFAOYSA-N 0 0 307.332 3.019 20 10 DGCDRN O=C(Nc1cccc(O)c1O)Oc1ccc(Br)cc1 ZINC001194598769 1100973182 /nfs/dbraw/zinc/97/31/82/1100973182.db2.gz DZKSCGKGOZKZBF-UHFFFAOYSA-N 0 0 324.130 3.471 20 10 DGCDRN Cc1cn(C)nc1C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001194841657 1101029863 /nfs/dbraw/zinc/02/98/63/1101029863.db2.gz SHYPMLACIZQBPO-UHFFFAOYSA-N 0 0 320.396 3.158 20 10 DGCDRN Cn1ccc2ccc(-c3ccc(=O)n(Cc4cccnc4)c3)cc21 ZINC001240576694 1101057114 /nfs/dbraw/zinc/05/71/14/1101057114.db2.gz WZCUJEXVUSYYPS-UHFFFAOYSA-N 0 0 315.376 3.450 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)O[C@H](C)CC)CC2)cc1 ZINC001195111064 1101074126 /nfs/dbraw/zinc/07/41/26/1101074126.db2.gz DKBIIQVLZVDLOA-CQSZACIVSA-N 0 0 306.406 3.142 20 10 DGCDRN CN(c1ccccc1)c1cc(-c2cnn([C@H]3CCOC3)c2)ncn1 ZINC001240628513 1101077977 /nfs/dbraw/zinc/07/79/77/1101077977.db2.gz GOSMDXAAGRNOHB-INIZCTEOSA-N 0 0 321.384 3.069 20 10 DGCDRN CC(C)(O)c1cncc(-c2ccn(Cc3ccccc3)c(=O)c2)c1 ZINC001240669562 1101089396 /nfs/dbraw/zinc/08/93/96/1101089396.db2.gz PLUAPUAFAOHQLV-UHFFFAOYSA-N 0 0 320.392 3.186 20 10 DGCDRN COC(=O)c1cc2ccc(-c3cnn(CC(C)C)c3)cc2n1C ZINC001240888553 1101170160 /nfs/dbraw/zinc/17/01/60/1101170160.db2.gz WHAGYEDNJWIQFD-UHFFFAOYSA-N 0 0 311.385 3.484 20 10 DGCDRN CC(C)Cn1cc(-c2ccn(Cc3ccccc3)c(=O)c2)cn1 ZINC001240891793 1101170262 /nfs/dbraw/zinc/17/02/62/1101170262.db2.gz NWAGUGAVMLRQHV-UHFFFAOYSA-N 0 0 307.397 3.416 20 10 DGCDRN COc1ccccc1NC(=S)NCc1cccc(Cl)n1 ZINC001196270083 1101275386 /nfs/dbraw/zinc/27/53/86/1101275386.db2.gz MZDCKGDDUJAVFV-UHFFFAOYSA-N 0 0 307.806 3.230 20 10 DGCDRN Cc1cc(CN2CCn3nccc3C2)ccc1N1CCCCC1 ZINC001196410741 1101302739 /nfs/dbraw/zinc/30/27/39/1101302739.db2.gz UCYBXXORBULLIF-UHFFFAOYSA-N 0 0 310.445 3.198 20 10 DGCDRN CC(=O)c1ccc(NC(=S)Nc2cccc(O)c2O)cc1 ZINC001196555664 1101338655 /nfs/dbraw/zinc/33/86/55/1101338655.db2.gz DOZNEIDUKCOBNS-UHFFFAOYSA-N 0 0 302.355 3.109 20 10 DGCDRN c1ccc(N2CC=C(c3ccc(N4CCOCC4)nc3)CC2)cc1 ZINC001241351679 1101396396 /nfs/dbraw/zinc/39/63/96/1101396396.db2.gz BQCMGVMKKQPBNJ-UHFFFAOYSA-N 0 0 321.424 3.212 20 10 DGCDRN CC(C)Cn1cc(C2=CCN(c3ccccc3)CC2)ncc1=O ZINC001241354281 1101397988 /nfs/dbraw/zinc/39/79/88/1101397988.db2.gz HTZIZJOKJBRTJN-UHFFFAOYSA-N 0 0 309.413 3.193 20 10 DGCDRN COC(=O)c1ncc(C2=CCN(c3ccccc3)CC2)cc1F ZINC001241352112 1101398374 /nfs/dbraw/zinc/39/83/74/1101398374.db2.gz NHQKXXFMCKDFFO-UHFFFAOYSA-N 0 0 312.344 3.301 20 10 DGCDRN CN(C)C(=O)c1cncc(C2=CCN(c3ccccc3)CC2)c1 ZINC001241354499 1101398446 /nfs/dbraw/zinc/39/84/46/1101398446.db2.gz GBAQEAOSIHUYIR-UHFFFAOYSA-N 0 0 307.397 3.077 20 10 DGCDRN CN(C)c1ccc(-c2ccn(Cc3ccccc3)c(=O)c2)cn1 ZINC001241372365 1101413104 /nfs/dbraw/zinc/41/31/04/1101413104.db2.gz KTIIUEGTSIFDNW-UHFFFAOYSA-N 0 0 305.381 3.025 20 10 DGCDRN O=C(NCc1c(O)cccc1F)Nc1cccc2cccnc21 ZINC001196882395 1101414917 /nfs/dbraw/zinc/41/49/17/1101414917.db2.gz IIRYVJGLURWLSV-UHFFFAOYSA-N 0 0 311.316 3.401 20 10 DGCDRN Cn1c(=O)ccc2ccc(-c3ccc(N4CCCC4)nc3)cc21 ZINC001241379346 1101418237 /nfs/dbraw/zinc/41/82/37/1101418237.db2.gz RTJNSSBASXIYPR-UHFFFAOYSA-N 0 0 305.381 3.201 20 10 DGCDRN CCOc1ccc(N(Cc2nnc(CC)[nH]2)CC2CC2)cc1 ZINC001196952343 1101442021 /nfs/dbraw/zinc/44/20/21/1101442021.db2.gz GCWHKCDIDMONIQ-UHFFFAOYSA-N 0 0 300.406 3.182 20 10 DGCDRN CCOc1ccc(C)c(C(=O)N2CCc3cccc(O)c3C2)c1 ZINC001197130284 1101473568 /nfs/dbraw/zinc/47/35/68/1101473568.db2.gz CHNIVYOYNIXYFD-UHFFFAOYSA-N 0 0 311.381 3.298 20 10 DGCDRN O=S(=O)(c1ccc(/N=N/c2ccccc2)cc1)N1CC(F)C1 ZINC001197153429 1101490752 /nfs/dbraw/zinc/49/07/52/1101490752.db2.gz BIPKWXYFFXQPOP-ISLYRVAYSA-N 0 0 319.361 3.444 20 10 DGCDRN COC(=O)C(C)(C)c1ncc(-c2cccc3c2ccn3C)cn1 ZINC001241821988 1101728767 /nfs/dbraw/zinc/72/87/67/1101728767.db2.gz CIHOVZZQISOMCK-UHFFFAOYSA-N 0 0 309.369 3.086 20 10 DGCDRN Oc1cc2ccccc2cc1CNC(=S)NC1CCCC1 ZINC001198570467 1101909353 /nfs/dbraw/zinc/90/93/53/1101909353.db2.gz XFZBRFLEESPQNP-UHFFFAOYSA-N 0 0 300.427 3.452 20 10 DGCDRN C[C@H]1CC[C@@H](C[NH3+])N(Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001205851777 1101966233 /nfs/dbraw/zinc/96/62/33/1101966233.db2.gz BORFVSWLCXRIJX-UWVGGRQHSA-N 0 0 303.233 3.258 20 10 DGCDRN COc1cc(C)ccc1NC(=O)NCc1cc(C)ccc1O ZINC001199478666 1102147189 /nfs/dbraw/zinc/14/71/89/1102147189.db2.gz BEDGUEYSJMZAFH-UHFFFAOYSA-N 0 0 300.358 3.339 20 10 DGCDRN O=c1[nH]cc(-c2ncnc3c2ccn3Cc2ccccc2)cc1F ZINC001242613275 1102241305 /nfs/dbraw/zinc/24/13/05/1102241305.db2.gz FBDHWXOWNVVVNI-UHFFFAOYSA-N 0 0 320.327 3.386 20 10 DGCDRN Cc1nc2c(ccn2C)c(-c2ccc(OC(F)(F)F)nc2)n1 ZINC001242778213 1102336009 /nfs/dbraw/zinc/33/60/09/1102336009.db2.gz ZDRQIEKLNODXTO-UHFFFAOYSA-N 0 0 308.263 3.237 20 10 DGCDRN Cn1c(=O)cc(-c2ccc(OC(F)(F)F)nc2)c2ccccc21 ZINC001242780696 1102337482 /nfs/dbraw/zinc/33/74/82/1102337482.db2.gz LJPRHYPTRFSJBK-UHFFFAOYSA-N 0 0 320.270 3.499 20 10 DGCDRN COc1ccc(-c2ccn(Cc3ccc(F)cc3)c(=O)c2)c(C)n1 ZINC001242928987 1102421436 /nfs/dbraw/zinc/42/14/36/1102421436.db2.gz JNWMDWREMVCZBS-UHFFFAOYSA-N 0 0 324.355 3.415 20 10 DGCDRN COc1ccc(-c2ccn(Cc3cccc(F)c3)c(=O)c2)c(C)n1 ZINC001242929228 1102422378 /nfs/dbraw/zinc/42/23/78/1102422378.db2.gz LVEOCUKJJIZHGG-UHFFFAOYSA-N 0 0 324.355 3.415 20 10 DGCDRN COCc1cncc(-c2cc(N(C)c3ccccc3)ncn2)c1 ZINC001242953525 1102438569 /nfs/dbraw/zinc/43/85/69/1102438569.db2.gz UABZBHGAMRALJM-UHFFFAOYSA-N 0 0 306.369 3.453 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C2CCC3(CCOCC3)CC2)c1 ZINC001200941751 1102452640 /nfs/dbraw/zinc/45/26/40/1102452640.db2.gz JFPCGAFUWWPJEV-UHFFFAOYSA-N 0 0 320.389 3.129 20 10 DGCDRN COc1cccnc1CNC(=S)Nc1ccc(F)c(C)c1 ZINC001201044677 1102482047 /nfs/dbraw/zinc/48/20/47/1102482047.db2.gz FEPXTSRBEHHXFH-UHFFFAOYSA-N 0 0 305.378 3.024 20 10 DGCDRN Cc1c(NCc2cc(Cl)cc(F)c2O)cccc1C(N)=O ZINC001201170070 1102506308 /nfs/dbraw/zinc/50/63/08/1102506308.db2.gz SXOYLUXMCISEPE-UHFFFAOYSA-N 0 0 308.740 3.204 20 10 DGCDRN Cc1cc(C)cc(NC(=S)NCc2ccc(O)c(O)c2)c1 ZINC001201214250 1102528274 /nfs/dbraw/zinc/52/82/74/1102528274.db2.gz XGZNLIRBLJAXJI-UHFFFAOYSA-N 0 0 302.399 3.201 20 10 DGCDRN CSc1ncc(-c2ccn(Cc3cccnc3)c(=O)c2)cc1C ZINC001243158581 1102562296 /nfs/dbraw/zinc/56/22/96/1102562296.db2.gz KLODXOYKKBDRQP-UHFFFAOYSA-N 0 0 323.421 3.384 20 10 DGCDRN CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1(C)C ZINC001201657073 1102687990 /nfs/dbraw/zinc/68/79/90/1102687990.db2.gz URLFXIFNVFOHOA-MCCGJVOXSA-N 0 0 301.789 3.334 20 10 DGCDRN Cc1cc(C)c(CNC(=O)N[C@@H]2C[C@H]2c2ccccc2)c(O)c1 ZINC001201940442 1102758130 /nfs/dbraw/zinc/75/81/30/1102758130.db2.gz PXZIUJTYAQMNOV-DOTOQJQBSA-N 0 0 310.397 3.364 20 10 DGCDRN CO[C@@H]1CC=C(c2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC001243815046 1102989670 /nfs/dbraw/zinc/98/96/70/1102989670.db2.gz JQOCZVYUJDLRGB-CQSZACIVSA-N 0 0 309.356 3.384 20 10 DGCDRN COCCn1ccc2c1ncnc2-c1cc(C2CC2)cnc1F ZINC001243846469 1103006580 /nfs/dbraw/zinc/00/65/80/1103006580.db2.gz BXNQKKSZWUSDPD-UHFFFAOYSA-N 0 0 312.348 3.156 20 10 DGCDRN Cc1cc(-c2nccn2C)c(-c2cc(C3CC3)cnc2F)nn1 ZINC001243855752 1103011900 /nfs/dbraw/zinc/01/19/00/1103011900.db2.gz QOEKDVRJKWSBER-UHFFFAOYSA-N 0 0 309.348 3.264 20 10 DGCDRN O=c1cc(-c2cccc3[nH]cnc32)ccn1Cc1ccccc1 ZINC001243935849 1103063511 /nfs/dbraw/zinc/06/35/11/1103063511.db2.gz SLFXCABEKBKLLZ-UHFFFAOYSA-N 0 0 301.349 3.440 20 10 DGCDRN O=C(c1cccnc1C1=CNCCC1)N1CCc2ccccc21 ZINC001243949083 1103077761 /nfs/dbraw/zinc/07/77/61/1103077761.db2.gz PUZGEWKEKNTKCN-UHFFFAOYSA-N 0 0 305.381 3.009 20 10 DGCDRN CN1CCCc2cc(CNC(=O)[C@H]3CCC[C@@H](F)C3)ccc21 ZINC001325880212 1103147103 /nfs/dbraw/zinc/14/71/03/1103147103.db2.gz STLSUWCTJUTRNJ-JKSUJKDBSA-N 0 0 304.409 3.214 20 10 DGCDRN O=[N+]([O-])c1ccc(-c2nnc(C3=S=C4CCCC4=C3)o2)cc1 ZINC001326184538 1103227208 /nfs/dbraw/zinc/22/72/08/1103227208.db2.gz ZPNBWHSEYPNQPU-UHFFFAOYSA-N 0 0 313.338 3.195 20 10 DGCDRN Nc1ccc(F)cc1-c1ccn(Cc2cccc(F)c2)c(=O)c1 ZINC001244401098 1103410842 /nfs/dbraw/zinc/41/08/42/1103410842.db2.gz PTAIHYRUPJRYDM-UHFFFAOYSA-N 0 0 312.319 3.424 20 10 DGCDRN COc1ccc(N2CC[C@H](CNc3nc(C)ncc3C)C2)cc1 ZINC001326886383 1103469700 /nfs/dbraw/zinc/46/97/00/1103469700.db2.gz OMORSICSTLGNQY-OAHLLOKOSA-N 0 0 312.417 3.040 20 10 DGCDRN Cc1cc(C)nc(C(=O)Nc2c3nonc3ccc2Cl)c1 ZINC001327168219 1103565730 /nfs/dbraw/zinc/56/57/30/1103565730.db2.gz YXCBXPRZZKIJSF-UHFFFAOYSA-N 0 0 302.721 3.140 20 10 DGCDRN Cn1ccc(-c2ccc(-c3ccc4ccc(=O)n(C)c4c3)cn2)n1 ZINC001245207416 1103912532 /nfs/dbraw/zinc/91/25/32/1103912532.db2.gz SIDCCZQGHZEXJB-UHFFFAOYSA-N 0 0 316.364 3.001 20 10 DGCDRN CCC/C=C/C(=O)N1CCN(c2ccc(OCC)cc2)CC1 ZINC001328624668 1104003325 /nfs/dbraw/zinc/00/33/25/1104003325.db2.gz UQKHTRHVHJFOMZ-VOTSOKGWSA-N 0 0 302.418 3.090 20 10 DGCDRN C[C@H](CC(=O)Nc1c2nonc2ccc1Cl)[C@@H]1CCCO1 ZINC001328696914 1104024057 /nfs/dbraw/zinc/02/40/57/1104024057.db2.gz HSLWVMADLAFPSN-KCJUWKMLSA-N 0 0 309.753 3.020 20 10 DGCDRN Cc1cccc2ncc(CN3CCCc4cc(O)c(O)cc4C3)n21 ZINC001137198646 1104059628 /nfs/dbraw/zinc/05/96/28/1104059628.db2.gz DJQAPEUVENOEON-UHFFFAOYSA-N 0 0 323.396 3.002 20 10 DGCDRN Cc1cc(-c2cc(N3CCc4ccccc43)ncn2)cnc1N ZINC001245538038 1104110001 /nfs/dbraw/zinc/11/00/01/1104110001.db2.gz NLSLIOAHQGMQGA-UHFFFAOYSA-N 0 0 303.369 3.123 20 10 DGCDRN Cc1cc(-c2ncnc3c2ccn3Cc2ccccc2)cnc1N ZINC001245534974 1104111234 /nfs/dbraw/zinc/11/12/34/1104111234.db2.gz CMQQCOKLVKNNHO-UHFFFAOYSA-N 0 0 315.380 3.432 20 10 DGCDRN COc1cc(OC)c(-c2cc(N(C)c3ccccc3)ncn2)cn1 ZINC001245614362 1104153807 /nfs/dbraw/zinc/15/38/07/1104153807.db2.gz WCIIJOFAVYGBQB-UHFFFAOYSA-N 0 0 322.368 3.324 20 10 DGCDRN COc1ccc(N(C)Cc2ccc([S@@](C)=O)cc2)cc1OC ZINC001329105089 1104154057 /nfs/dbraw/zinc/15/40/57/1104154057.db2.gz OBVPKKPHEMCZGY-JOCHJYFZSA-N 0 0 319.426 3.078 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCC[C@H](F)C1 ZINC001329235460 1104196245 /nfs/dbraw/zinc/19/62/45/1104196245.db2.gz FNLVNMCUKLKRCL-JKSUJKDBSA-N 0 0 319.424 3.367 20 10 DGCDRN Cc1ccc(NC(=S)NCc2ncccc2O)cc1Cl ZINC001245855060 1104268817 /nfs/dbraw/zinc/26/88/17/1104268817.db2.gz IZVGZLMJOGXHOZ-UHFFFAOYSA-N 0 0 307.806 3.236 20 10 DGCDRN CCCCN1CC[C@]2(CCCN2c2ccc(OC)c(F)c2)C1=O ZINC001274861710 1104523841 /nfs/dbraw/zinc/52/38/41/1104523841.db2.gz LPZDCPNPTJEEFW-GOSISDBHSA-N 0 0 320.408 3.206 20 10 DGCDRN CC[C@@H](C)N1CC[C@@]2(CCCN2c2ccc(OC)cc2C)C1=O ZINC001274875444 1104527960 /nfs/dbraw/zinc/52/79/60/1104527960.db2.gz WEICTWQUGMITSU-BEFAXECRSA-N 0 0 316.445 3.373 20 10 DGCDRN C[C@@H](CC(=O)Nc1c2nonc2ccc1Cl)C(F)(F)F ZINC001330468646 1104557030 /nfs/dbraw/zinc/55/70/30/1104557030.db2.gz CKNNJKHZNAGXBT-YFKPBYRVSA-N 0 0 307.659 3.403 20 10 DGCDRN Cc1ccc(CC[C@H](C)NC(=O)N2Cc3cccc(O)c3C2)o1 ZINC001330726189 1104632808 /nfs/dbraw/zinc/63/28/08/1104632808.db2.gz ORVNIDUJTNXEHM-LBPRGKRZSA-N 0 0 314.385 3.340 20 10 DGCDRN [O-]c1cc(F)cc(F)c1CN1CC[C@H]2[C@@H]1CC[N@@H+]2C1CCCC1 ZINC001275306438 1104716228 /nfs/dbraw/zinc/71/62/28/1104716228.db2.gz IIMYUEBOOCTEGH-IRXDYDNUSA-N 0 0 322.399 3.262 20 10 DGCDRN CC1(C)CCc2nc(NC(=O)c3cccc(O)c3O)sc2C1 ZINC001299496973 1104717617 /nfs/dbraw/zinc/71/76/17/1104717617.db2.gz SWEFTWDLLUGPEG-UHFFFAOYSA-N 0 0 318.398 3.322 20 10 DGCDRN Cc1cc(F)cc(-c2noc(Cc3ccc(O)c(O)c3)n2)c1 ZINC001247959757 1105021404 /nfs/dbraw/zinc/02/14/04/1105021404.db2.gz WMJBWVAEECWPAN-UHFFFAOYSA-N 0 0 300.289 3.186 20 10 DGCDRN Cc1nc(-c2noc(/C=C/c3ccc(O)c(O)c3)n2)ccc1F ZINC001247981103 1105027799 /nfs/dbraw/zinc/02/77/99/1105027799.db2.gz DFUHGDQQRNUMJN-XVNBXDOJSA-N 0 0 313.288 3.161 20 10 DGCDRN Cc1c(F)ccc(-c2noc(Cc3ccc(N)cc3)n2)c1F ZINC001248184168 1105062483 /nfs/dbraw/zinc/06/24/83/1105062483.db2.gz PRCFBHAGQAJFNU-UHFFFAOYSA-N 0 0 301.296 3.496 20 10 DGCDRN Nc1ccc(Cc2nc(-c3ccc(-n4cccn4)cc3)no2)cc1 ZINC001248184446 1105062594 /nfs/dbraw/zinc/06/25/94/1105062594.db2.gz VGXPGBNMOUMKAJ-UHFFFAOYSA-N 0 0 317.352 3.095 20 10 DGCDRN CCN(Cc1ccccc1O)Cc1c(Cl)ccnc1OC ZINC001248795436 1105162796 /nfs/dbraw/zinc/16/27/96/1105162796.db2.gz DQGCEBXSFHVVMZ-UHFFFAOYSA-N 0 0 306.793 3.471 20 10 DGCDRN CCOC(=O)c1nc(-c2ccc(-n3c(C)ccc3C)cc2)no1 ZINC001249175513 1105239771 /nfs/dbraw/zinc/23/97/71/1105239771.db2.gz WRKUFNGRMZWEAB-UHFFFAOYSA-N 0 0 311.341 3.321 20 10 DGCDRN CC1(C)C=Cc2c(O)c(CN3CCC[C@@H](F)C(=O)C3)ccc2O1 ZINC001249223574 1105249281 /nfs/dbraw/zinc/24/92/81/1105249281.db2.gz HRHFMHQCUDDGSC-CQSZACIVSA-N 0 0 319.376 3.079 20 10 DGCDRN CC(C)OC1CN(Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249258136 1105258564 /nfs/dbraw/zinc/25/85/64/1105258564.db2.gz DHTXMZCLJKNXGB-UHFFFAOYSA-N 0 0 303.402 3.186 20 10 DGCDRN Cc1cc(CN2[C@@H]3CC[C@H]2CC(=O)C3)c(O)cc1Br ZINC001250123734 1105446671 /nfs/dbraw/zinc/44/66/71/1105446671.db2.gz TXAHVPANXOSYLX-TXEJJXNPSA-N 0 0 324.218 3.159 20 10 DGCDRN Cc1cc(CN2C[C@@H](C)OC[C@H]2C)c(O)cc1Br ZINC001250133966 1105450984 /nfs/dbraw/zinc/45/09/84/1105450984.db2.gz SJCDDBOIWONWFE-GHMZBOCLSA-N 0 0 314.223 3.072 20 10 DGCDRN CC[C@@H](C)[C@H](O)CNC(=O)c1sccc1-n1c(C)ccc1C ZINC001137355931 1105496905 /nfs/dbraw/zinc/49/69/05/1105496905.db2.gz TXHSLEMSWXLWLA-IAQYHMDHSA-N 0 0 320.458 3.292 20 10 DGCDRN CCOc1ccc(N2CCN(Cc3ccnc(C)c3)CC2)cc1 ZINC001137417891 1105519286 /nfs/dbraw/zinc/51/92/86/1105519286.db2.gz AOZLNCFXZHNRJT-UHFFFAOYSA-N 0 0 311.429 3.111 20 10 DGCDRN COc1ccc(N2CCN(Cc3ccnc(C)c3)CC2)c(C)c1 ZINC001137418265 1105519982 /nfs/dbraw/zinc/51/99/82/1105519982.db2.gz SCBODUJQUOGGNZ-UHFFFAOYSA-N 0 0 311.429 3.029 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1cccnc1Cl)CCC2 ZINC001137427609 1105521609 /nfs/dbraw/zinc/52/16/09/1105521609.db2.gz PWZULRRHYSJHIX-UHFFFAOYSA-N 0 0 304.777 3.095 20 10 DGCDRN COc1cc2nc(-c3cc(O)c(O)c(OC)c3)[nH]c2cc1Cl ZINC001250488489 1105523553 /nfs/dbraw/zinc/52/35/53/1105523553.db2.gz INKZIRWLVSNIBJ-UHFFFAOYSA-N 0 0 320.732 3.312 20 10 DGCDRN CSc1ccc(CCC(=O)NCc2ccc(O)c(O)c2)cc1 ZINC001137443235 1105523530 /nfs/dbraw/zinc/52/35/30/1105523530.db2.gz HQCCAOAAQGNORY-UHFFFAOYSA-N 0 0 317.410 3.069 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc3ccncc3c2)c1 ZINC001137473471 1105528656 /nfs/dbraw/zinc/52/86/56/1105528656.db2.gz KKWQAHCOMFSTAK-LBPRGKRZSA-N 0 0 322.364 3.440 20 10 DGCDRN CCOc1ccccc1NC[C@@H](O)COc1cccc(F)c1 ZINC001250817042 1105589211 /nfs/dbraw/zinc/58/92/11/1105589211.db2.gz XOBAONLLTXFGDK-CQSZACIVSA-N 0 0 305.349 3.076 20 10 DGCDRN O=C1c2ccccc2-c2cccc(NC[C@@H](O)C(F)(F)F)c21 ZINC001250982714 1105615274 /nfs/dbraw/zinc/61/52/74/1105615274.db2.gz ADVUIQIFCYNTKS-CYBMUJFWSA-N 0 0 307.271 3.233 20 10 DGCDRN COc1ccc2nc(-c3cc(O)c(O)c(O)c3)n(C3CC3)c2c1 ZINC001251248395 1105643947 /nfs/dbraw/zinc/64/39/47/1105643947.db2.gz OQZANPSYEHZCPU-UHFFFAOYSA-N 0 0 312.325 3.164 20 10 DGCDRN Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)c(F)c2)c(C)c1 ZINC001251489834 1105663497 /nfs/dbraw/zinc/66/34/97/1105663497.db2.gz RUECGRNLXVQYGG-UHFFFAOYSA-N 0 0 309.362 3.257 20 10 DGCDRN CC[C@@H](O)CNc1ccc(Cl)cc1C(=O)c1ccccn1 ZINC001251795383 1105697369 /nfs/dbraw/zinc/69/73/69/1105697369.db2.gz AUSVROZZTNVOJO-GFCCVEGCSA-N 0 0 304.777 3.149 20 10 DGCDRN CC(C)S(=O)(=O)Nc1cccc2c1C(=O)c1ccccc1-2 ZINC001252528988 1105789938 /nfs/dbraw/zinc/78/99/38/1105789938.db2.gz BZPFKKLWLCCPGH-UHFFFAOYSA-N 0 0 301.367 3.048 20 10 DGCDRN Oc1ccc(-c2nnc(-c3ccc(Cl)cc3)o2)c(O)c1O ZINC001252715276 1105819420 /nfs/dbraw/zinc/81/94/20/1105819420.db2.gz IPSBJRIVVIMLLX-UHFFFAOYSA-N 0 0 304.689 3.174 20 10 DGCDRN CCCS(=O)(=O)Nc1ccccc1C(=O)c1ccc(F)cc1 ZINC001253600634 1105963433 /nfs/dbraw/zinc/96/34/33/1105963433.db2.gz FCYRUYWEINOTOY-UHFFFAOYSA-N 0 0 321.373 3.208 20 10 DGCDRN CC(C)(C)[C@@H](O)CNc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001253714500 1105973114 /nfs/dbraw/zinc/97/31/14/1105973114.db2.gz BITSGVBKRAOWOI-KRWDZBQOSA-N 0 0 323.392 3.281 20 10 DGCDRN Nc1ccc(CCn2cc(-c3nccc4ccccc43)nn2)cc1 ZINC001254081164 1106015684 /nfs/dbraw/zinc/01/56/84/1106015684.db2.gz NUMYVZAFFAPKJR-UHFFFAOYSA-N 0 0 315.380 3.318 20 10 DGCDRN Cc1cc(Cl)ccc1-c1nnc(-c2ccc(O)c(O)c2O)o1 ZINC001255272974 1106213463 /nfs/dbraw/zinc/21/34/63/1106213463.db2.gz JMJRUJDPXDYPLP-UHFFFAOYSA-N 0 0 318.716 3.482 20 10 DGCDRN Oc1ccc(/C=C/c2nnc(Cc3ccccc3F)o2)cc1O ZINC001255801133 1106319806 /nfs/dbraw/zinc/31/98/06/1106319806.db2.gz YDMJQJVLWURHOQ-SOFGYWHQSA-N 0 0 312.300 3.381 20 10 DGCDRN Cc1cc(S(=O)(=O)Nc2ccc(O)cc2)c(C)cc1Cl ZINC001256126138 1106372942 /nfs/dbraw/zinc/37/29/42/1106372942.db2.gz SOVDRYSBMDJRKS-UHFFFAOYSA-N 0 0 311.790 3.463 20 10 DGCDRN O=S(=O)(Nc1ccc(O)c(F)c1F)c1ccccc1Cl ZINC001256306565 1106402627 /nfs/dbraw/zinc/40/26/27/1106402627.db2.gz FTCYQNAGUVDHGT-UHFFFAOYSA-N 0 0 319.716 3.125 20 10 DGCDRN O=S(=O)(Nc1cc(F)c(O)cc1F)c1ccccc1Cl ZINC001256315894 1106404782 /nfs/dbraw/zinc/40/47/82/1106404782.db2.gz GOANWEDREQNFOK-UHFFFAOYSA-N 0 0 319.716 3.125 20 10 DGCDRN CCCCCCc1nnc([C@@H](O)c2ccc(N(C)C)cc2)o1 ZINC001256375804 1106413622 /nfs/dbraw/zinc/41/36/22/1106413622.db2.gz WOCOAHWBLKXJSZ-INIZCTEOSA-N 0 0 303.406 3.340 20 10 DGCDRN CC1(C)C[C@@H](c2nnc(-c3ccc(-n4cccc4)cc3)o2)NC1=O ZINC001256965405 1106516625 /nfs/dbraw/zinc/51/66/25/1106516625.db2.gz AUSSLLCTXGTXLA-AWEZNQCLSA-N 0 0 322.368 3.115 20 10 DGCDRN O=C1CC[C@H](Cc2nnc(-c3ccc(-n4cccc4)cc3)o2)C1 ZINC001256965581 1106517786 /nfs/dbraw/zinc/51/77/86/1106517786.db2.gz FIGINLXYWNUIBO-ZDUSSCGKSA-N 0 0 307.353 3.439 20 10 DGCDRN Nc1cc(Cc2nnc(-c3ccc(-n4cccc4)cc3)o2)ccn1 ZINC001256970500 1106518279 /nfs/dbraw/zinc/51/82/79/1106518279.db2.gz SDJWZVGKZYNDSZ-UHFFFAOYSA-N 0 0 317.352 3.095 20 10 DGCDRN CNc1ccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)nn1 ZINC001256981398 1106520575 /nfs/dbraw/zinc/52/05/75/1106520575.db2.gz LYSUSQNCEVAURW-UHFFFAOYSA-N 0 0 318.340 3.026 20 10 DGCDRN COc1cc(/C=C/c2nnc(C3CCCC3)o2)cc(O)c1O ZINC001257561206 1106605849 /nfs/dbraw/zinc/60/58/49/1106605849.db2.gz YQTIEUIULPDKCK-VOTSOKGWSA-N 0 0 302.330 3.317 20 10 DGCDRN Oc1ccc(Cc2nnc(-c3ccc4c(c3)CCC4)o2)cc1O ZINC001258190203 1106692292 /nfs/dbraw/zinc/69/22/92/1106692292.db2.gz RGAGTHORKHZPCS-UHFFFAOYSA-N 0 0 308.337 3.227 20 10 DGCDRN COc1cc(-c2nnc(-c3ccc4c(c3)CCC4)o2)cc(O)c1O ZINC001258249193 1106705377 /nfs/dbraw/zinc/70/53/77/1106705377.db2.gz NHWINLRMBSTRHF-UHFFFAOYSA-N 0 0 324.336 3.312 20 10 DGCDRN Cn1c2ccc(NCc3ccc(N4CCCC4)cc3)cc2oc1=O ZINC001319986178 1106761880 /nfs/dbraw/zinc/76/18/80/1106761880.db2.gz RJNZLBKFJHYRIW-UHFFFAOYSA-N 0 0 323.396 3.344 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1c2ccccc2nn1C ZINC001320379996 1106986503 /nfs/dbraw/zinc/98/65/03/1106986503.db2.gz IQCGSPPYIZIGRO-UHFFFAOYSA-N 0 0 323.396 3.331 20 10 DGCDRN COc1cc(C)ccc1S(=O)(=O)Nc1cc(C)c(O)cc1C ZINC001259202853 1107097612 /nfs/dbraw/zinc/09/76/12/1107097612.db2.gz HCFLLSOMFHZODN-UHFFFAOYSA-N 0 0 321.398 3.127 20 10 DGCDRN COc1ccc2cc(C(=O)NCc3ccccc3O)ccc2c1 ZINC001320929317 1107192112 /nfs/dbraw/zinc/19/21/12/1107192112.db2.gz DWSRQGMRJCYJBY-UHFFFAOYSA-N 0 0 307.349 3.484 20 10 DGCDRN C[C@@H](NC(=O)c1ncc(Cl)s1)c1ccc(N(C)C)cc1 ZINC001321062420 1107237323 /nfs/dbraw/zinc/23/73/23/1107237323.db2.gz WDEDUHCZVZPHRA-SECBINFHSA-N 0 0 309.822 3.354 20 10 DGCDRN C[C@@H](Oc1ccccc1)C(=O)Nc1c2nonc2ccc1Cl ZINC001321103344 1107249664 /nfs/dbraw/zinc/24/96/64/1107249664.db2.gz LCTYDBRIKIPMIX-SECBINFHSA-N 0 0 317.732 3.282 20 10 DGCDRN O=S(=O)(Cc1ccccc1Cl)Nc1ccc(O)cc1F ZINC001260695177 1107297825 /nfs/dbraw/zinc/29/78/25/1107297825.db2.gz QPJBZNJKDPLNKS-UHFFFAOYSA-N 0 0 315.753 3.127 20 10 DGCDRN Cc1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2O)c1C ZINC001261001266 1107342723 /nfs/dbraw/zinc/34/27/23/1107342723.db2.gz FBCZTNVDOBNVMX-ZDUSSCGKSA-N 0 0 305.399 3.049 20 10 DGCDRN COCCc1ccnc(NCc2ccc(N3CCCC3)cc2)c1 ZINC001321879212 1107456510 /nfs/dbraw/zinc/45/65/10/1107456510.db2.gz BKGSHYFKMGXUJQ-UHFFFAOYSA-N 0 0 311.429 3.483 20 10 DGCDRN COc1cc(F)cc(NCc2ccc([N+](=O)[O-])c(OC)c2O)c1 ZINC001322148885 1107543968 /nfs/dbraw/zinc/54/39/68/1107543968.db2.gz INXONYVIYNXQGE-UHFFFAOYSA-N 0 0 322.292 3.069 20 10 DGCDRN Cc1ncc(C)c(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC001262018424 1107577892 /nfs/dbraw/zinc/57/78/92/1107577892.db2.gz HXQRFOBIKIMDJH-GFCCVEGCSA-N 0 0 313.405 3.042 20 10 DGCDRN COc1ccc(CNC(=O)[C@@H](C)c2ccc(F)c(F)c2)c(O)c1 ZINC001322446843 1107676531 /nfs/dbraw/zinc/67/65/31/1107676531.db2.gz OQECZKFHCNADOY-JTQLQIEISA-N 0 0 321.323 3.099 20 10 DGCDRN CC(C)[C@H]1C[C@@H](C(=O)Nc2c3nonc3ccc2Cl)CCO1 ZINC001262487840 1107719309 /nfs/dbraw/zinc/71/93/09/1107719309.db2.gz HPZYWBDWAUDWGW-JOYOIKCWSA-N 0 0 323.780 3.266 20 10 DGCDRN Nc1ccc(CNC(=O)NC[C@@H](c2ccccc2)C2CC2)cc1 ZINC001262582986 1107730798 /nfs/dbraw/zinc/73/07/98/1107730798.db2.gz LAKHWYCLPGQWLR-SFHVURJKSA-N 0 0 309.413 3.262 20 10 DGCDRN CCCn1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C)n1 ZINC001262619029 1107744333 /nfs/dbraw/zinc/74/43/33/1107744333.db2.gz MZKGAYLVWJVRTO-CYBMUJFWSA-N 0 0 314.433 3.159 20 10 DGCDRN CN1c2ccccc2C(=O)N[C@@H]1c1ccc(N2CCCC2)cc1 ZINC001317944941 1107755696 /nfs/dbraw/zinc/75/56/96/1107755696.db2.gz XUELOLWARTYUDA-SFHVURJKSA-N 0 0 307.397 3.165 20 10 DGCDRN CCN(Cc1ccccc1)c1nnc(C2SC=CC2=O)n1C ZINC001262854827 1107846384 /nfs/dbraw/zinc/84/63/84/1107846384.db2.gz XNGWQAUJMSWTQZ-UHFFFAOYSA-N 0 0 314.414 3.276 20 10 DGCDRN CN(C(=O)c1c[nH]nc1-c1cccnc1)c1ccc(F)c(F)c1 ZINC001318358694 1107957650 /nfs/dbraw/zinc/95/76/50/1107957650.db2.gz BDNWCWMBCHBHKG-UHFFFAOYSA-N 0 0 314.295 3.027 20 10 DGCDRN OC1(c2ccc(NCc3ccc(N4CCCC4)cc3)cc2)COC1 ZINC001323384850 1107959915 /nfs/dbraw/zinc/95/99/15/1107959915.db2.gz IVGYOODURAUAQM-UHFFFAOYSA-N 0 0 324.424 3.117 20 10 DGCDRN O=C1C=CSC1c1nnc(N2CCC(F)CC2)n1CC1CC1 ZINC001263681555 1108156110 /nfs/dbraw/zinc/15/61/10/1108156110.db2.gz QFSJJKWUFZUTKB-UHFFFAOYSA-N 0 0 322.409 3.061 20 10 DGCDRN CSc1cc(C(=O)Nc2c3nonc3ccc2Cl)ccn1 ZINC001324139993 1108187282 /nfs/dbraw/zinc/18/72/82/1108187282.db2.gz DMTSPQKPQUETKE-UHFFFAOYSA-N 0 0 320.761 3.245 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H](C)CCO)c1 ZINC001319341470 1108421683 /nfs/dbraw/zinc/42/16/83/1108421683.db2.gz OQCSUWDYRLHTFZ-NSHDSACASA-N 0 0 320.820 3.248 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)[C@@H](C)C(C)(C)C)CC2)cc1 ZINC001319624519 1108562172 /nfs/dbraw/zinc/56/21/72/1108562172.db2.gz NOBRAEOKCOVGNH-OAHLLOKOSA-N 0 0 318.461 3.416 20 10 DGCDRN COc1cccc(NNC(=S)Nc2cccc(F)c2F)c1 ZINC001319658702 1108580506 /nfs/dbraw/zinc/58/05/06/1108580506.db2.gz YNKFOWJCLWTPSO-UHFFFAOYSA-N 0 0 309.341 3.287 20 10 DGCDRN Cc1ccc(/C=C/C(=O)Nc2c3nonc3ccc2Cl)cn1 ZINC001325345193 1108628283 /nfs/dbraw/zinc/62/82/83/1108628283.db2.gz LGSJUWIROOTGMI-QPJJXVBHSA-N 0 0 314.732 3.232 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)[C@@H](F)Cc1ccccc1 ZINC001325346074 1108628395 /nfs/dbraw/zinc/62/83/95/1108628395.db2.gz RLXQQLMPKOIWBL-NSHDSACASA-N 0 0 319.723 3.396 20 10 DGCDRN CN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CCCc2ccccc21 ZINC001290595312 1110251008 /nfs/dbraw/zinc/25/10/08/1110251008.db2.gz WUINLJIBGZVYIP-INIZCTEOSA-N 0 0 311.381 3.176 20 10 DGCDRN CC(C)c1nnc(NC(=O)c2ccc(N=NC(N)=O)cc2)s1 ZINC001291938614 1110279265 /nfs/dbraw/zinc/27/92/65/1110279265.db2.gz KKSQSSOFTCQOTI-UHFFFAOYSA-N 0 0 318.362 3.076 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cccc(-c3cnn(C)c3)c2)c1 ZINC001301046518 1111080113 /nfs/dbraw/zinc/08/01/13/1111080113.db2.gz DQUJDNDLMYMIGE-UHFFFAOYSA-N 0 0 321.380 3.031 20 10 DGCDRN C[C@@H](NC(=O)c1c(Cl)nc2ccccn21)c1ccccc1O ZINC001302530216 1111117264 /nfs/dbraw/zinc/11/72/64/1111117264.db2.gz GCIVHDMZPVVPQP-SNVBAGLBSA-N 0 0 315.760 3.184 20 10 DGCDRN CC(C)[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(O)c(O)c1 ZINC001303631404 1111149583 /nfs/dbraw/zinc/14/95/83/1111149583.db2.gz AZJMWOLIOGKJPK-MRXNPFEDSA-N 0 0 313.397 3.024 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC1CSC1 ZINC001303955841 1111158724 /nfs/dbraw/zinc/15/87/24/1111158724.db2.gz UBUVUSCLOAOPBO-UHFFFAOYSA-N 0 0 300.427 3.248 20 10 DGCDRN Cc1ccccc1C1(C(=O)NCc2c(O)cccc2O)CCC1 ZINC001304053769 1111164098 /nfs/dbraw/zinc/16/40/98/1111164098.db2.gz RSYWWBSYOXQTCO-UHFFFAOYSA-N 0 0 311.381 3.144 20 10 DGCDRN COc1cc(C(=O)NCc2cccc(Cl)c2O)ccc1C ZINC001305069742 1111193050 /nfs/dbraw/zinc/19/30/50/1111193050.db2.gz MZPTXELNOSBNAZ-UHFFFAOYSA-N 0 0 305.761 3.293 20 10 DGCDRN COc1ccc(C(=O)NCc2cccc(Cl)c2O)c(F)c1 ZINC001305069818 1111193098 /nfs/dbraw/zinc/19/30/98/1111193098.db2.gz QBAXBQIWEDXCNY-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN CCC(CC)[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCO1 ZINC001308351912 1111420394 /nfs/dbraw/zinc/42/03/94/1111420394.db2.gz ABSDOULWHPOBRW-WMLDXEAASA-N 0 0 322.405 3.374 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCN1C1CCCCC1 ZINC001308466094 1111431947 /nfs/dbraw/zinc/43/19/47/1111431947.db2.gz GZHWUSYYMJLJLM-HNNXBMFYSA-N 0 0 310.388 3.167 20 10 DGCDRN C[C@@H]1CN(Cc2ccc(Cl)cc2O)CCN1CC(F)(F)F ZINC001308607837 1111450387 /nfs/dbraw/zinc/45/03/87/1111450387.db2.gz PMDWXHKDLZOBCA-SNVBAGLBSA-N 0 0 322.758 3.114 20 10 DGCDRN Oc1cc(Cl)ccc1C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC001308643288 1111455125 /nfs/dbraw/zinc/45/51/25/1111455125.db2.gz VAUUHOQRACKKMW-KRWDZBQOSA-N 0 0 321.779 3.278 20 10 DGCDRN CCOC(=O)c1cc(CN(C)c2ccc(OC)c(F)c2)[nH]c1C ZINC001308676222 1111459770 /nfs/dbraw/zinc/45/97/70/1111459770.db2.gz FSEMRMTZKCUUAS-UHFFFAOYSA-N 0 0 320.364 3.284 20 10 DGCDRN [O-]c1c(C[NH2+][C@H]2CCc3ccccc3OC2)ccc(F)c1F ZINC001308717566 1111465333 /nfs/dbraw/zinc/46/53/33/1111465333.db2.gz FVBPPDFHKBWBTQ-ZDUSSCGKSA-N 0 0 305.324 3.154 20 10 DGCDRN CC(C)C[C@@H](CN1CCCC1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC001308779063 1111474013 /nfs/dbraw/zinc/47/40/13/1111474013.db2.gz OYYPWLJOJZJGTQ-AWEZNQCLSA-N 0 0 312.404 3.271 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC001308791759 1111475876 /nfs/dbraw/zinc/47/58/76/1111475876.db2.gz HDONVROJVITEHY-HOTGVXAUSA-N 0 0 309.356 3.204 20 10 DGCDRN CN1Cc2c(cccc2NCc2cccc(Cl)c2O)C1=O ZINC001308814442 1111478545 /nfs/dbraw/zinc/47/85/45/1111478545.db2.gz HBBQEUWSULPWFV-UHFFFAOYSA-N 0 0 302.761 3.243 20 10 DGCDRN COc1c([O-])c(C[NH2+]CC2C[C@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001308858124 1111485563 /nfs/dbraw/zinc/48/55/63/1111485563.db2.gz ZYDCILHMOQVAPB-VXGBXAGGSA-N 0 0 322.405 3.471 20 10 DGCDRN Oc1cccc2c1CN(Cc1cccnc1Br)C2 ZINC001308909427 1111491984 /nfs/dbraw/zinc/49/19/84/1111491984.db2.gz FPMNCSSQQOFJPZ-UHFFFAOYSA-N 0 0 305.175 3.066 20 10 DGCDRN CN(C)c1nc(Cl)c(CN2Cc3cccc(O)c3C2)s1 ZINC001308911770 1111492697 /nfs/dbraw/zinc/49/26/97/1111492697.db2.gz XZCNLFKFMCIDBF-UHFFFAOYSA-N 0 0 309.822 3.084 20 10 DGCDRN Cc1ccc(/C=C\S(=O)(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC001309768777 1111540170 /nfs/dbraw/zinc/54/01/70/1111540170.db2.gz INBFGOGQGKNHPV-NYHXXUGCSA-N 0 0 317.410 3.352 20 10 DGCDRN Cc1cc2c(cc1NC(=O)N[C@H](C)c1ccccc1O)OCO2 ZINC001310546128 1111564163 /nfs/dbraw/zinc/56/41/63/1111564163.db2.gz RTBCTBKXBMJWPE-LLVKDONJSA-N 0 0 314.341 3.312 20 10 DGCDRN Cc1cnc(Cl)c(NC(=O)NCc2c(O)cccc2F)c1 ZINC001310558900 1111564175 /nfs/dbraw/zinc/56/41/75/1111564175.db2.gz HEBVARHYRGJQHF-UHFFFAOYSA-N 0 0 309.728 3.210 20 10 DGCDRN CN(C(=O)Nc1c(-c2ccccn2)nc2ccccn21)C1CC1 ZINC001310899746 1111574876 /nfs/dbraw/zinc/57/48/76/1111574876.db2.gz GUIDUWCSSNPZEF-UHFFFAOYSA-N 0 0 307.357 3.022 20 10 DGCDRN CN(C)c1cc(F)cc(NC(=O)NCc2c(O)cccc2F)c1 ZINC001310966500 1111576861 /nfs/dbraw/zinc/57/68/61/1111576861.db2.gz BADPRWVMXAUKRV-UHFFFAOYSA-N 0 0 321.327 3.058 20 10 DGCDRN COc1ccc(CNC(=O)Nc2cccc(OC)c2C)c(O)c1 ZINC001310999239 1111578619 /nfs/dbraw/zinc/57/86/19/1111578619.db2.gz XPFPLUUNPYOEIB-UHFFFAOYSA-N 0 0 316.357 3.040 20 10 DGCDRN CCCCCNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001311363171 1111596441 /nfs/dbraw/zinc/59/64/41/1111596441.db2.gz GFPTUFUKBQNZOL-HNNXBMFYSA-N 0 0 305.466 3.481 20 10 DGCDRN C[C@@H](NC(=O)NCc1cc(F)ccc1F)c1ccccc1O ZINC001311915369 1111625667 /nfs/dbraw/zinc/62/56/67/1111625667.db2.gz AILUXCPMGIIHGC-SNVBAGLBSA-N 0 0 306.312 3.231 20 10 DGCDRN CCON(CC)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC001311934811 1111627087 /nfs/dbraw/zinc/62/70/87/1111627087.db2.gz FGTOJDFDMNRLPT-UHFFFAOYSA-N 0 0 311.401 3.155 20 10 DGCDRN C[C@@H](NC(=O)NCCOC1CCCCCC1)c1ccccc1O ZINC001311995824 1111630646 /nfs/dbraw/zinc/63/06/46/1111630646.db2.gz ALKYNLYPJQUFKQ-CQSZACIVSA-N 0 0 320.433 3.492 20 10 DGCDRN COC1(CNC(=O)N[C@@H](C)c2ccccc2O)CCC(C)CC1 ZINC001312634898 1111663813 /nfs/dbraw/zinc/66/38/13/1111663813.db2.gz BLESKJFHYIIKMD-FVRSWCFKSA-N 0 0 320.433 3.348 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@@H](C)[C@@H]1C ZINC001312883410 1111679870 /nfs/dbraw/zinc/67/98/70/1111679870.db2.gz CSFTWNQSEFTRLL-KBMXLJTQSA-N 0 0 317.477 3.432 20 10 DGCDRN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc2ccccc2c1 ZINC000090662080 185308688 /nfs/dbraw/zinc/30/86/88/185308688.db2.gz BLYIIYKRANBINI-AQTBWJFISA-N 0 0 314.344 3.301 20 10 DGCDRN CCCN(Cc1ncn(-c2ccccc2)n1)Cc1ccccc1O ZINC000092798416 185341990 /nfs/dbraw/zinc/34/19/90/185341990.db2.gz NOSOCHMJVAACSF-UHFFFAOYSA-N 0 0 322.412 3.385 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccc(F)c1 ZINC000181221541 529786382 /nfs/dbraw/zinc/78/63/82/529786382.db2.gz IFMAIOIZEFBOPJ-UHFFFAOYSA-N 0 0 315.348 3.323 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC12CCCCC2 ZINC000476989081 282295126 /nfs/dbraw/zinc/29/51/26/282295126.db2.gz WXIBJASUKYZLFS-HNNXBMFYSA-N 0 0 314.429 3.448 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCCC(F)(F)C1 ZINC000281895556 282295560 /nfs/dbraw/zinc/29/55/60/282295560.db2.gz MIYHKFOURSTUMG-LBPRGKRZSA-N 0 0 324.371 3.304 20 10 DGCDRN CN1CCCc2cc(CNc3nc(C4CC4)ns3)ccc21 ZINC000301522089 530065892 /nfs/dbraw/zinc/06/58/92/530065892.db2.gz NVUCEJSWDBHVSO-UHFFFAOYSA-N 0 0 300.431 3.410 20 10 DGCDRN COc1cccc(CNC(=O)CCc2ccc(C)cc2C)c1O ZINC000068488919 190770910 /nfs/dbraw/zinc/77/09/10/190770910.db2.gz WZXVWRPJTXPZGU-UHFFFAOYSA-N 0 0 313.397 3.267 20 10 DGCDRN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1cccnc1 ZINC000007586191 282485945 /nfs/dbraw/zinc/48/59/45/282485945.db2.gz NYMGJOZPVRXKFG-JYRVWZFOSA-N 0 0 309.394 3.414 20 10 DGCDRN CCOc1ccc(O)c(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000179316420 432054136 /nfs/dbraw/zinc/05/41/36/432054136.db2.gz NTPFMVUCWNEJJH-UHFFFAOYSA-N 0 0 316.357 3.331 20 10 DGCDRN Cc1c(/C=C/C(=O)N(C)c2ccc(F)c(Cl)c2)cnn1C ZINC000180211501 432081462 /nfs/dbraw/zinc/08/14/62/432081462.db2.gz JMDIPJJTBOIBKK-QPJJXVBHSA-N 0 0 307.756 3.197 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1[O-] ZINC000170789510 432081754 /nfs/dbraw/zinc/08/17/54/432081754.db2.gz ACJQWNXEHUPMRA-MNOVXSKESA-N 0 0 320.330 3.066 20 10 DGCDRN O=C(/C=C/c1cncs1)N1CCCc2ccc(F)c(F)c21 ZINC000493184173 283726030 /nfs/dbraw/zinc/72/60/30/283726030.db2.gz DHJVZZNCMGCPDZ-GQCTYLIASA-N 0 0 306.337 3.414 20 10 DGCDRN COc1ccc(N(Cc2cc(=O)c(OC)co2)C(C)C)cc1F ZINC000268589047 432108358 /nfs/dbraw/zinc/10/83/58/432108358.db2.gz VEWBTQZEHADMJV-UHFFFAOYSA-N 0 0 321.348 3.211 20 10 DGCDRN C[C@@H]([NH2+]Cc1cn2c(n1)CCCC2)c1ccc(F)c(F)c1[O-] ZINC000276957876 296136060 /nfs/dbraw/zinc/13/60/60/296136060.db2.gz RLDNQDPPNULZJJ-SNVBAGLBSA-N 0 0 307.344 3.054 20 10 DGCDRN CSCCCCNC(=O)NCc1c(C)c2ccccc2n1C ZINC000471901356 244265534 /nfs/dbraw/zinc/26/55/34/244265534.db2.gz SKHNLKPCOPBZNF-UHFFFAOYSA-N 0 0 319.474 3.429 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1ncnn1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278387450 296152385 /nfs/dbraw/zinc/15/23/85/296152385.db2.gz DKYPTLCKWUYJIG-SFYZADRCSA-N 0 0 315.204 3.239 20 10 DGCDRN CN(C(=O)/C=C\c1cn(C)c2ccccc12)c1cccc(F)n1 ZINC000493500252 245996158 /nfs/dbraw/zinc/99/61/58/245996158.db2.gz SFIIBNYOKFIWJI-KHPPLWFESA-N 0 0 309.344 3.389 20 10 DGCDRN O=C(/C=C\c1cncs1)N1CCC[C@@H](O)c2cc(F)ccc21 ZINC000493610042 246022050 /nfs/dbraw/zinc/02/20/50/246022050.db2.gz FJOGBPUQRNDKAZ-ZDTYVGOBSA-N 0 0 318.373 3.156 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C\c2c(C)nn(C)c2Cl)cc1 ZINC000493743872 246055177 /nfs/dbraw/zinc/05/51/77/246055177.db2.gz DXKNDZHHXPZAJC-KTKRTIGZSA-N 0 0 319.792 3.067 20 10 DGCDRN O=C(CC1=CCCCC1)NCc1ccc(N2CCOCC2)cc1 ZINC000106750313 194248799 /nfs/dbraw/zinc/24/87/99/194248799.db2.gz PWLYJGDBUXCKMJ-UHFFFAOYSA-N 0 0 314.429 3.030 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCC(C)(C)CCCO ZINC000271637348 129943730 /nfs/dbraw/zinc/94/37/30/129943730.db2.gz FHPZYCFWQGSAFC-UHFFFAOYSA-N 0 0 322.449 3.113 20 10 DGCDRN COc1ccc(O)c(C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2F)c1 ZINC000272378530 130023908 /nfs/dbraw/zinc/02/39/08/130023908.db2.gz DGEGLXYOKCUWKB-KPZWWZAWSA-N 0 0 319.376 3.406 20 10 DGCDRN CC[C@@H]1C[C@H](CC(=O)NCc2ccc(N(C)C)c(F)c2)CCO1 ZINC000272759030 130060979 /nfs/dbraw/zinc/06/09/79/130060979.db2.gz PEPGOUOCUKYJLA-UKRRQHHQSA-N 0 0 322.424 3.103 20 10 DGCDRN Cc1cccc([C@@H]2CCN(C(=O)c3ccc(C)c(O)c3O)C2)c1 ZINC000273118827 130090242 /nfs/dbraw/zinc/09/02/42/130090242.db2.gz CEVWJYNFQJCJAW-OAHLLOKOSA-N 0 0 311.381 3.344 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2sccc2C)c1 ZINC000273370897 130112970 /nfs/dbraw/zinc/11/29/70/130112970.db2.gz GBPAISNUSVBLRO-LLVKDONJSA-N 0 0 305.399 3.400 20 10 DGCDRN C[C@@H](Nc1ccc(CS(C)(=O)=O)cc1)c1cc(F)ccc1O ZINC000273447761 130124294 /nfs/dbraw/zinc/12/42/94/130124294.db2.gz FKQFEWSWFPLVEN-LLVKDONJSA-N 0 0 323.389 3.249 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCO[C@H](C(C)C)C2)c1 ZINC000273482395 130126045 /nfs/dbraw/zinc/12/60/45/130126045.db2.gz MFKGBYUPMIJIIT-JDFRZJQESA-N 0 0 321.417 3.033 20 10 DGCDRN O=C(NCc1ccccc1O)c1scnc1C1CCCC1 ZINC000273547134 130135145 /nfs/dbraw/zinc/13/51/45/130135145.db2.gz AKHPYPNZEBOPBF-UHFFFAOYSA-N 0 0 302.399 3.436 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2nc(C[S@@](C)=O)no2)cc1 ZINC000273832950 130174645 /nfs/dbraw/zinc/17/46/45/130174645.db2.gz HJCLBOYVQCHGRA-JOCHJYFZSA-N 0 0 315.398 3.023 20 10 DGCDRN C[C@@H](NCc1ncn(-c2ccccc2)n1)c1ccc(N(C)C)cc1 ZINC000274956690 130276803 /nfs/dbraw/zinc/27/68/03/130276803.db2.gz IBCFFKDNQDTVMX-OAHLLOKOSA-N 0 0 321.428 3.184 20 10 DGCDRN CCONC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000275093959 130291249 /nfs/dbraw/zinc/29/12/49/130291249.db2.gz ITCOQJLTWNPYJI-UHFFFAOYSA-N 0 0 317.389 3.009 20 10 DGCDRN CC(C)CN1CC(=O)N(c2cc(Cl)c(N)c(Cl)c2)C1=O ZINC000278293370 130678060 /nfs/dbraw/zinc/67/80/60/130678060.db2.gz ZYKJRMIVXNPNPF-UHFFFAOYSA-N 0 0 316.188 3.000 20 10 DGCDRN COc1cc(SC)ccc1NCc1cc2c(cc1O)OCO2 ZINC000278551873 130701306 /nfs/dbraw/zinc/70/13/06/130701306.db2.gz ZGCQSHOXIVARTL-UHFFFAOYSA-N 0 0 319.382 3.464 20 10 DGCDRN CCCC[C@H](C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000282114083 130901754 /nfs/dbraw/zinc/90/17/54/130901754.db2.gz KAULSNHGSWESOF-AWEZNQCLSA-N 0 0 322.424 3.105 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000282462944 130923582 /nfs/dbraw/zinc/92/35/82/130923582.db2.gz JXVKXMCQXMQCAU-UHFFFAOYSA-N 0 0 317.345 3.071 20 10 DGCDRN C[C@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1ccc(F)cc1[O-] ZINC000284370285 131074741 /nfs/dbraw/zinc/07/47/41/131074741.db2.gz NQGGKQLIFDYTRM-VIFPVBQESA-N 0 0 312.291 3.379 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2nncn2C2CC2)cc1 ZINC000285850402 131205072 /nfs/dbraw/zinc/20/50/72/131205072.db2.gz PEZUMSSPBZKGRC-UHFFFAOYSA-N 0 0 321.384 3.273 20 10 DGCDRN CC[C@H]([NH2+]C1CCC(NC(C)=O)CC1)c1ccc(F)cc1[O-] ZINC000286011534 131214898 /nfs/dbraw/zinc/21/48/98/131214898.db2.gz JGPZUCHBQFMOOI-XUJLQICISA-N 0 0 308.397 3.019 20 10 DGCDRN CC[C@@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000286002642 131215493 /nfs/dbraw/zinc/21/54/93/131215493.db2.gz HPUCNSFUTCHBLS-DOTOQJQBSA-N 0 0 321.367 3.315 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)c2nnc(C)[nH]2)cc1 ZINC000286212579 131224826 /nfs/dbraw/zinc/22/48/26/131224826.db2.gz BPIABKGMKNZJIT-ZDUSSCGKSA-N 0 0 323.400 3.012 20 10 DGCDRN CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2ccc(F)cc2[O-])[C@]12CCCO2 ZINC000286352180 131232259 /nfs/dbraw/zinc/23/22/59/131232259.db2.gz ZFZWKTAPKCEASA-BZZMCLGOSA-N 0 0 323.408 3.299 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC(C1CCC1)C1CCC1 ZINC000286683828 131246435 /nfs/dbraw/zinc/24/64/35/131246435.db2.gz IWQGIUJNVPIEMP-CSKARUKUSA-N 0 0 301.386 3.196 20 10 DGCDRN COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](C2CC2)C(F)(F)F)c1 ZINC000287231343 131270439 /nfs/dbraw/zinc/27/04/39/131270439.db2.gz GQWXBFYLIZYQLZ-OQPBUACISA-N 0 0 317.307 3.170 20 10 DGCDRN Cc1ccc(O)c(CN(C)Cc2nc(-c3cccs3)no2)c1 ZINC000289598408 131399740 /nfs/dbraw/zinc/39/97/40/131399740.db2.gz VCPSGXQSRVOUDD-UHFFFAOYSA-N 0 0 315.398 3.444 20 10 DGCDRN COCCN(CC1CC(F)(F)C1)c1ccc(OC)c(OC)c1 ZINC000294969427 131874526 /nfs/dbraw/zinc/87/45/26/131874526.db2.gz OFJBRNWZFWQORE-UHFFFAOYSA-N 0 0 315.360 3.202 20 10 DGCDRN Cc1c(N[C@@H](C)c2ccccc2O)cnn1C1CCOCC1 ZINC000296633475 131977100 /nfs/dbraw/zinc/97/71/00/131977100.db2.gz BODHGGUUWSSXND-LBPRGKRZSA-N 0 0 301.390 3.422 20 10 DGCDRN Cc1cc(C(=O)CCC(=O)NCc2ccc(N)cc2)c(C)s1 ZINC000297353535 132011889 /nfs/dbraw/zinc/01/18/89/132011889.db2.gz ZKHNOQVSEOCMCP-UHFFFAOYSA-N 0 0 316.426 3.226 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccco1 ZINC000298865159 132081066 /nfs/dbraw/zinc/08/10/66/132081066.db2.gz UOQLQGUXULCBNL-UHFFFAOYSA-N 0 0 315.417 3.466 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)NC2CCCC2)C2CC2)cc1 ZINC000298865031 132081130 /nfs/dbraw/zinc/08/11/30/132081130.db2.gz UJKYIMQFZQUTGV-UHFFFAOYSA-N 0 0 301.434 3.369 20 10 DGCDRN Cc1ccc(CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000299011137 132085774 /nfs/dbraw/zinc/08/57/74/132085774.db2.gz VBRGHIPAMGCRBX-UHFFFAOYSA-N 0 0 323.440 3.190 20 10 DGCDRN CCOc1ccc(CNC(=O)N(C)Cc2ccccc2O)cc1 ZINC000299223024 132094300 /nfs/dbraw/zinc/09/43/00/132094300.db2.gz IEKNECLSDMMGNP-UHFFFAOYSA-N 0 0 314.385 3.133 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)CCc2ccccn2)C2CC2)cc1 ZINC000299314973 132098583 /nfs/dbraw/zinc/09/85/83/132098583.db2.gz BWADYGIXOSNZPE-UHFFFAOYSA-N 0 0 323.440 3.271 20 10 DGCDRN Cc1c2cc(OCCOC[C@@H]3CCCO3)ccc2n(C)c1C ZINC000563862153 335068598 /nfs/dbraw/zinc/06/85/98/335068598.db2.gz KSYKQXBCXRTIRI-INIZCTEOSA-N 0 0 303.402 3.370 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NCc2ccccc2F)cc1 ZINC000017117787 400176642 /nfs/dbraw/zinc/17/66/42/400176642.db2.gz VLKFMNYIZHEVMU-UHFFFAOYSA-N 0 0 315.392 3.233 20 10 DGCDRN CC(C)C[C@@H](C)CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000067911073 400216242 /nfs/dbraw/zinc/21/62/42/400216242.db2.gz WQSITUMTHAQVLL-MRXNPFEDSA-N 0 0 318.461 3.212 20 10 DGCDRN CC(C)c1cc(C(=O)NCc2ccc(N3CCCC3)cc2)on1 ZINC000071109134 400368748 /nfs/dbraw/zinc/36/87/48/400368748.db2.gz WDWKCCBHSLPPBM-UHFFFAOYSA-N 0 0 313.401 3.328 20 10 DGCDRN O=[N+]([O-])c1ccc(NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000042796631 400442488 /nfs/dbraw/zinc/44/24/88/400442488.db2.gz GOCMVEQRZLTSQJ-UHFFFAOYSA-N 0 0 313.357 3.044 20 10 DGCDRN Cc1cccc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000045039094 400510403 /nfs/dbraw/zinc/51/04/03/400510403.db2.gz VVZUDLPNNQJKIZ-UHFFFAOYSA-N 0 0 311.429 3.403 20 10 DGCDRN Cc1cc(NCc2c(O)ccc3c2CCCC3)ncc1[N+](=O)[O-] ZINC000074767414 400533920 /nfs/dbraw/zinc/53/39/20/400533920.db2.gz NHINRKADUQVTKR-UHFFFAOYSA-N 0 0 313.357 3.495 20 10 DGCDRN CCOCCCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000047062322 400598826 /nfs/dbraw/zinc/59/88/26/400598826.db2.gz UTRSIAJEKRUCGB-UHFFFAOYSA-N 0 0 318.461 3.452 20 10 DGCDRN C[C@@H]1C[C@@H]1CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000047098324 400601134 /nfs/dbraw/zinc/60/11/34/400601134.db2.gz PTWCZJIZGLZZQB-NVXWUHKLSA-N 0 0 315.461 3.474 20 10 DGCDRN CCS[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1O ZINC000078368507 400793342 /nfs/dbraw/zinc/79/33/42/400793342.db2.gz VXGCCAXHYQHVRB-DZGCQCFKSA-N 0 0 308.447 3.256 20 10 DGCDRN C[C@@H]1CN(c2ccc(CNC(=O)C(C)(C)C)cc2F)C[C@@H](C)O1 ZINC000055530546 400875402 /nfs/dbraw/zinc/87/54/02/400875402.db2.gz DGSGUJMEJYJETJ-CHWSQXEVSA-N 0 0 322.424 3.102 20 10 DGCDRN COc1cc(/C=C2\SC(=S)N(C3CC3)C2=O)cc(OC)c1 ZINC000054499057 400827193 /nfs/dbraw/zinc/82/71/93/400827193.db2.gz WZORQQGGHDLAET-QPEQYQDCSA-N 0 0 321.423 3.067 20 10 DGCDRN Cc1cccc(CC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000173205088 400843547 /nfs/dbraw/zinc/84/35/47/400843547.db2.gz REEXQHFOFIDZDE-UHFFFAOYSA-N 0 0 310.397 3.029 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)CC(C)(C)C)CC2)cc1 ZINC000055877580 400898162 /nfs/dbraw/zinc/89/81/62/400898162.db2.gz FGWFVKZIVBJUQK-UHFFFAOYSA-N 0 0 304.434 3.170 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)[C@@H]3CC=CCC3)CC2)cc1 ZINC000055877441 400898295 /nfs/dbraw/zinc/89/82/95/400898295.db2.gz NYECAFLHUQJJKF-MRXNPFEDSA-N 0 0 314.429 3.090 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCCC[C@@H]1OC ZINC000080484864 400956948 /nfs/dbraw/zinc/95/69/48/400956948.db2.gz HMFYSSXPAUGNRB-WBVHZDCISA-N 0 0 320.433 3.271 20 10 DGCDRN CC(C)OCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000063678323 401206950 /nfs/dbraw/zinc/20/69/50/401206950.db2.gz GEBFSEYHCPDFTL-UHFFFAOYSA-N 0 0 304.434 3.060 20 10 DGCDRN Cc1cc(C(=O)NC2CCOCC2)c(C)n1-c1ccc(F)cc1 ZINC000064997559 401255460 /nfs/dbraw/zinc/25/54/60/401255460.db2.gz XXDGGQDRAGPSLJ-UHFFFAOYSA-N 0 0 316.376 3.142 20 10 DGCDRN COc1cc(Cl)cc(CN2CCn3cccc3[C@H]2C)c1O ZINC000184672831 286223161 /nfs/dbraw/zinc/22/31/61/286223161.db2.gz BZVGJHVQUHMKPX-LLVKDONJSA-N 0 0 306.793 3.433 20 10 DGCDRN Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1ccc(C)c(O)c1O ZINC000272800026 292341527 /nfs/dbraw/zinc/34/15/27/292341527.db2.gz YLDFDZNGZAUYCM-LBPRGKRZSA-N 0 0 313.353 3.142 20 10 DGCDRN CCOc1ccc(OCCCC(=O)Nc2ccc(N)cc2)cc1 ZINC000269114806 432153167 /nfs/dbraw/zinc/15/31/67/432153167.db2.gz HCSJGBDPNPHATI-UHFFFAOYSA-N 0 0 314.385 3.465 20 10 DGCDRN C[C@H](CC(=O)NCCc1ccc(O)c(O)c1)C1CCCCC1 ZINC000269258719 432155027 /nfs/dbraw/zinc/15/50/27/432155027.db2.gz YVZXDWHKDAEPFG-CYBMUJFWSA-N 0 0 305.418 3.363 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c1[O-] ZINC000246910965 432178989 /nfs/dbraw/zinc/17/89/89/432178989.db2.gz VWXZSFORUWKEPP-BLLLJJGKSA-N 0 0 323.820 3.249 20 10 DGCDRN CC[C@@H](C)OCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000269712400 432200859 /nfs/dbraw/zinc/20/08/59/432200859.db2.gz OBMUNFZONUABQC-OAHLLOKOSA-N 0 0 306.450 3.305 20 10 DGCDRN CO[C@@H](C)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000266765269 228663755 /nfs/dbraw/zinc/66/37/55/228663755.db2.gz DXLODPIZGNXJKX-HNNXBMFYSA-N 0 0 321.465 3.098 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)c1ccc(C)cc1 ZINC000348632819 229205174 /nfs/dbraw/zinc/20/51/74/229205174.db2.gz HMFYUNAWSWQYLX-UHFFFAOYSA-N 0 0 320.392 3.294 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc2c(c1)OCO2 ZINC000348696779 229205957 /nfs/dbraw/zinc/20/59/57/229205957.db2.gz FNGNBYAZNLYUHV-UHFFFAOYSA-N 0 0 322.364 3.145 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)c1ccon1 ZINC000349877725 229218073 /nfs/dbraw/zinc/21/80/73/229218073.db2.gz DXGGYZREJCCKOQ-LBPRGKRZSA-N 0 0 312.373 3.035 20 10 DGCDRN CO[C@@H]1CCCC[C@H]1C(=O)NCc1c(C)c2ccccc2n1C ZINC000352080363 229242805 /nfs/dbraw/zinc/24/28/05/229242805.db2.gz XVTBKHTVGDNIDQ-CRAIPNDOSA-N 0 0 314.429 3.308 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1[nH]nc2ccccc21 ZINC000352125540 229243882 /nfs/dbraw/zinc/24/38/82/229243882.db2.gz ITLLHLHDNWMTGH-UHFFFAOYSA-N 0 0 318.380 3.293 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNCc1c(Cl)cnn1C ZINC000355127190 229303812 /nfs/dbraw/zinc/30/38/12/229303812.db2.gz SRNWPBKGCPTPKZ-UHFFFAOYSA-N 0 0 302.809 3.163 20 10 DGCDRN Cc1cc(C(=O)N2CCCOCC2)c(C)n1-c1cccc(C)c1 ZINC000363126467 229441575 /nfs/dbraw/zinc/44/15/75/229441575.db2.gz ITPXXCMSQNRFLF-UHFFFAOYSA-N 0 0 312.413 3.265 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CC2CCC1CC2 ZINC000374497406 229566827 /nfs/dbraw/zinc/56/68/27/229566827.db2.gz QFZHPYANBQULBT-UHFFFAOYSA-N 0 0 313.445 3.371 20 10 DGCDRN CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000191196928 432233949 /nfs/dbraw/zinc/23/39/49/432233949.db2.gz BSACKPCYWVSUJJ-GFCCVEGCSA-N 0 0 312.404 3.441 20 10 DGCDRN CC[C@@H](NCc1ncnn1C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000282490296 276533445 /nfs/dbraw/zinc/53/34/45/276533445.db2.gz HRYLVTZCTHIYJK-MRXNPFEDSA-N 0 0 315.465 3.340 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1COc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000290251023 277623317 /nfs/dbraw/zinc/62/33/17/277623317.db2.gz JWVQVIFKPIKEJD-NEPJUHHUSA-N 0 0 314.341 3.127 20 10 DGCDRN CC1(C)C[C@@H](NC(=O)Cc2ccc(N)cc2)c2ccccc2O1 ZINC000236757000 278361939 /nfs/dbraw/zinc/36/19/39/278361939.db2.gz XWHNYCQKGXISBC-MRXNPFEDSA-N 0 0 310.397 3.230 20 10 DGCDRN CC[C@H]([NH2+][C@H]1CC(=O)N(C(C)C)C1)c1cccc(Cl)c1[O-] ZINC000287724837 288086370 /nfs/dbraw/zinc/08/63/70/288086370.db2.gz OSZUXXUOGSQDHH-FZMZJTMJSA-N 0 0 310.825 3.096 20 10 DGCDRN COc1cccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)c1O ZINC000068488718 431132518 /nfs/dbraw/zinc/13/25/18/431132518.db2.gz UPOKKTNMSUFFDO-UHFFFAOYSA-N 0 0 315.413 3.233 20 10 DGCDRN CCCOc1cccc(C(=O)NCc2cccc(OC)c2O)c1 ZINC000068489299 431133357 /nfs/dbraw/zinc/13/33/57/431133357.db2.gz ZFUMDZNUNKHLNT-UHFFFAOYSA-N 0 0 315.369 3.120 20 10 DGCDRN CC(C)OCCCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000272920133 279659882 /nfs/dbraw/zinc/65/98/82/279659882.db2.gz ILJUKZPBQVKDCI-UHFFFAOYSA-N 0 0 318.461 3.449 20 10 DGCDRN CC(=O)N(c1nc(CSc2nccs2)cs1)C1CC1 ZINC000114631890 431399646 /nfs/dbraw/zinc/39/96/46/431399646.db2.gz DTRUQTIBAAYHDR-UHFFFAOYSA-N 0 0 311.457 3.407 20 10 DGCDRN CS[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000117400739 431560161 /nfs/dbraw/zinc/56/01/61/431560161.db2.gz BDSGCWVYKCFANM-GDBMZVCRSA-N 0 0 321.490 3.226 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1COc2ccccc21 ZINC000118783718 431618566 /nfs/dbraw/zinc/61/85/66/431618566.db2.gz QQEXTTFIHDVEMQ-INIZCTEOSA-N 0 0 311.381 3.307 20 10 DGCDRN CCc1noc(C)c1CN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000119389498 431686983 /nfs/dbraw/zinc/68/69/83/431686983.db2.gz WYRDRDJYDGBWMQ-UHFFFAOYSA-N 0 0 320.389 3.208 20 10 DGCDRN CC(C)n1ncc2cc(CN(C)c3ccc4c(c3)OCO4)cnc21 ZINC000121270466 431764706 /nfs/dbraw/zinc/76/47/06/431764706.db2.gz JBZURQHDWFMRHC-UHFFFAOYSA-N 0 0 324.384 3.377 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000079603003 431735518 /nfs/dbraw/zinc/73/55/18/431735518.db2.gz WNCAYTCJMQYXAC-KRWDZBQOSA-N 0 0 312.417 3.127 20 10 DGCDRN CC(C)N(C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000086395541 431844762 /nfs/dbraw/zinc/84/47/62/431844762.db2.gz UMOKTHLPEHVEOX-UHFFFAOYSA-N 0 0 303.450 3.473 20 10 DGCDRN CC[C@@H](C)NC(=O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000038013743 431853286 /nfs/dbraw/zinc/85/32/86/431853286.db2.gz UNXAHMRMTSXXSQ-SECBINFHSA-N 0 0 319.232 3.093 20 10 DGCDRN CCc1onc(C)c1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000089418476 431865943 /nfs/dbraw/zinc/86/59/43/431865943.db2.gz MSKIZOCDIGDBCB-UHFFFAOYSA-N 0 0 320.368 3.072 20 10 DGCDRN Cc1cccc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000125082027 431913919 /nfs/dbraw/zinc/91/39/19/431913919.db2.gz DULQAPGQTZCOOT-UHFFFAOYSA-N 0 0 321.424 3.371 20 10 DGCDRN CN(C(=O)/C=C/c1ccc(Cl)nc1)c1cccc([N+](=O)[O-])c1 ZINC000090130642 431890048 /nfs/dbraw/zinc/89/00/48/431890048.db2.gz VJKBQQUIAUQDAV-SOFGYWHQSA-N 0 0 317.732 3.319 20 10 DGCDRN C[C@@H](NCc1ncn(C)n1)c1ccc(N2CCCCCC2)cc1 ZINC000090970077 431898768 /nfs/dbraw/zinc/89/87/68/431898768.db2.gz BUBGEBLXKNDSNF-OAHLLOKOSA-N 0 0 313.449 3.046 20 10 DGCDRN Cc1cccc(CN2CCSC[C@H]2c2nccs2)c1O ZINC000186666212 281216851 /nfs/dbraw/zinc/21/68/51/281216851.db2.gz KEYNFXUKQCBLCQ-ZDUSSCGKSA-N 0 0 306.456 3.447 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC(=O)C[C@H]1C ZINC000270658277 432271779 /nfs/dbraw/zinc/27/17/79/432271779.db2.gz SJUUBVDHHHMRBY-RDTXWAMCSA-N 0 0 316.445 3.106 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)c1ccccc1 ZINC000183484504 432297818 /nfs/dbraw/zinc/29/78/18/432297818.db2.gz IUEAQCVDRCIOBD-ZDUSSCGKSA-N 0 0 313.397 3.123 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3cccnc3Cl)ccc21 ZINC000058768496 431998215 /nfs/dbraw/zinc/99/82/15/431998215.db2.gz JNKMRWXBXNLBCP-UHFFFAOYSA-N 0 0 315.804 3.047 20 10 DGCDRN COc1c(C)cnc(C[N@H+](C)Cc2cccc(C)c2O)c1C ZINC000183783328 432325574 /nfs/dbraw/zinc/32/55/74/432325574.db2.gz GKIMHEIEDRVKFO-UHFFFAOYSA-N 0 0 300.402 3.353 20 10 DGCDRN Cc1ccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)c(C)n1 ZINC000152412658 432332367 /nfs/dbraw/zinc/33/23/67/432332367.db2.gz BGMHLWCHNNMTJN-UHFFFAOYSA-N 0 0 316.380 3.225 20 10 DGCDRN COc1ccc([C@@H](C)CC(=O)NCCc2ccc(N)cc2)cc1 ZINC000152546083 432339828 /nfs/dbraw/zinc/33/98/28/432339828.db2.gz XPDSGEYTQLWDSJ-AWEZNQCLSA-N 0 0 312.413 3.130 20 10 DGCDRN C[C@H]1CC[C@H](CCC(=O)NCc2ccc(N3CCCC3)cc2)O1 ZINC000175369285 432428811 /nfs/dbraw/zinc/42/88/11/432428811.db2.gz PNWXEWALNCWDDG-MAUKXSAKSA-N 0 0 316.445 3.251 20 10 DGCDRN C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192966927 432434957 /nfs/dbraw/zinc/43/49/57/432434957.db2.gz QBLNGWAWOXVBRQ-LPEHRKFASA-N 0 0 302.201 3.287 20 10 DGCDRN CC(C)C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2O)CCO1 ZINC000272049064 432436741 /nfs/dbraw/zinc/43/67/41/432436741.db2.gz DQCJPIZISVRQQE-JKSUJKDBSA-N 0 0 320.433 3.127 20 10 DGCDRN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cccc(O)c1O ZINC000193079854 432447261 /nfs/dbraw/zinc/44/72/61/432447261.db2.gz IFJKWTHOCYDOEK-WCQYABFASA-N 0 0 315.344 3.255 20 10 DGCDRN CCc1nnc([C@H](C)N[C@@H](C)c2ccc(N(C)CC)cc2)[nH]1 ZINC000271499372 432408437 /nfs/dbraw/zinc/40/84/37/432408437.db2.gz LXAJAVRPURYCRJ-STQMWFEESA-N 0 0 301.438 3.235 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCO[C@@H](C)C1 ZINC000271584185 432420254 /nfs/dbraw/zinc/42/02/54/432420254.db2.gz RKXHGEVJINUWCG-LSDHHAIUSA-N 0 0 320.433 3.129 20 10 DGCDRN COC[C@H](NCc1cc(F)cc(C(C)=O)c1O)c1ccc(C)o1 ZINC000184716932 432426218 /nfs/dbraw/zinc/42/62/18/432426218.db2.gz XFOCUKXWKGITRB-HNNXBMFYSA-N 0 0 321.348 3.113 20 10 DGCDRN Nc1ccc(CCNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)cc1 ZINC000262359851 432483497 /nfs/dbraw/zinc/48/34/97/432483497.db2.gz WFZXGJOHMWGKFC-ZIAGYGMSSA-N 0 0 314.351 3.296 20 10 DGCDRN C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(F)cc1[O-] ZINC000185291200 432487278 /nfs/dbraw/zinc/48/72/78/432487278.db2.gz WBLVVMCCNQXLQP-SNVBAGLBSA-N 0 0 320.330 3.209 20 10 DGCDRN C[C@@H](C[S@@](C)=O)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000193280352 432462710 /nfs/dbraw/zinc/46/27/10/432462710.db2.gz ALSFMWDXLWIRHL-QQJLPTOTSA-N 0 0 310.246 3.117 20 10 DGCDRN Cc1cc(C(=O)NCCCCCO)c(C)n1-c1ccc(F)cc1 ZINC000193306063 432465161 /nfs/dbraw/zinc/46/51/61/432465161.db2.gz RJNSJXYEKSYHFA-UHFFFAOYSA-N 0 0 318.392 3.126 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCCC1(C)C ZINC000194470304 432553282 /nfs/dbraw/zinc/55/32/82/432553282.db2.gz CLIZGMVCXMGZAY-GXTWGEPZSA-N 0 0 305.418 3.361 20 10 DGCDRN C[C@H](C[S@](C)=O)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000186541218 432605182 /nfs/dbraw/zinc/60/51/82/432605182.db2.gz VYZVAWLCCSCRKI-MPSDLYAZSA-N 0 0 310.246 3.117 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN(C)Cc2cc(C)on2)c1O ZINC000177023402 432576554 /nfs/dbraw/zinc/57/65/54/432576554.db2.gz JDOKBNWFJRJEJB-UHFFFAOYSA-N 0 0 308.765 3.177 20 10 DGCDRN Cc1cc(C)c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(C)c1 ZINC000186383598 432589116 /nfs/dbraw/zinc/58/91/16/432589116.db2.gz JEOKWFHWBLPYDS-AWEZNQCLSA-N 0 0 313.397 3.384 20 10 DGCDRN Cc1ccc([C@H](C)Nc2ccc(CS(C)(=O)=O)cc2)c(O)c1 ZINC000273460553 432600237 /nfs/dbraw/zinc/60/02/37/432600237.db2.gz ICGWDFITQLYFPQ-ZDUSSCGKSA-N 0 0 319.426 3.418 20 10 DGCDRN COc1ccc(O)c([C@@H](C)Nc2ccc3c(c2)OCCO3)c1 ZINC000273462716 432600253 /nfs/dbraw/zinc/60/02/53/432600253.db2.gz QSILMWDKBZCZAE-LLVKDONJSA-N 0 0 301.342 3.345 20 10 DGCDRN C[C@H]([NH2+]Cc1ccccc1N(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273469396 432602661 /nfs/dbraw/zinc/60/26/61/432602661.db2.gz JIVPSPRVZCRBKP-LBPRGKRZSA-N 0 0 315.373 3.217 20 10 DGCDRN Cc1noc(C)c1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000264131661 432619085 /nfs/dbraw/zinc/61/90/85/432619085.db2.gz YHGSAEIJHDCMSF-UHFFFAOYSA-N 0 0 314.389 3.213 20 10 DGCDRN Cc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)c(O)c1O ZINC000177666111 432647798 /nfs/dbraw/zinc/64/77/98/432647798.db2.gz HWNXKAKEAYTRCR-UHFFFAOYSA-N 0 0 315.344 3.350 20 10 DGCDRN Cc1ccc(C(=O)N(C)CC2(c3ccccc3)CC2)c(O)c1O ZINC000186752492 432629169 /nfs/dbraw/zinc/62/91/69/432629169.db2.gz NLZYFFDWKWVDNY-UHFFFAOYSA-N 0 0 311.381 3.210 20 10 DGCDRN COc1ccc([C@H]2CCCN2C(=O)c2cccc(O)c2O)cc1 ZINC000186837357 432632953 /nfs/dbraw/zinc/63/29/53/432632953.db2.gz MGUIFNOJNQLEGI-OAHLLOKOSA-N 0 0 313.353 3.084 20 10 DGCDRN Cn1c(-c2ccccc2)cnc1SCC[C@H]1CCOC1=O ZINC000177567067 432637550 /nfs/dbraw/zinc/63/75/50/432637550.db2.gz IZZJIVVJVWTUGB-CYBMUJFWSA-N 0 0 302.399 3.132 20 10 DGCDRN CC1CCN(c2ccc(CNc3ccc(C(N)=O)cn3)cc2)CC1 ZINC000264466201 432649513 /nfs/dbraw/zinc/64/95/13/432649513.db2.gz LVCQBGAGIXDHTD-UHFFFAOYSA-N 0 0 324.428 3.029 20 10 DGCDRN CSC[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000264511837 432654405 /nfs/dbraw/zinc/65/44/05/432654405.db2.gz NGAQGEKYVTYIJP-CQSZACIVSA-N 0 0 308.491 3.489 20 10 DGCDRN Cc1cc(C(=O)N2CCC(C)(O)CC2)c(C)n1-c1ccccc1 ZINC000177767472 432659442 /nfs/dbraw/zinc/65/94/42/432659442.db2.gz XCMAEUNCUFPTBU-UHFFFAOYSA-N 0 0 312.413 3.081 20 10 DGCDRN CC(=O)c1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000264645298 432662810 /nfs/dbraw/zinc/66/28/10/432662810.db2.gz FTDUMCCETHKGGR-UHFFFAOYSA-N 0 0 310.397 3.227 20 10 DGCDRN CCc1nn(C)cc1NCc1cc(Br)ccc1O ZINC000222947524 432674150 /nfs/dbraw/zinc/67/41/50/432674150.db2.gz SOKHWBUDLKDTTN-UHFFFAOYSA-N 0 0 310.195 3.063 20 10 DGCDRN CCOC(CC[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])OCC ZINC000276109682 432773676 /nfs/dbraw/zinc/77/36/76/432773676.db2.gz AMJDSLQOAAAFNW-JTQLQIEISA-N 0 0 303.349 3.110 20 10 DGCDRN CC(C)(C)[C@H](CCO)[NH2+]Cc1cc(Br)ccc1O ZINC000231073527 432731179 /nfs/dbraw/zinc/73/11/79/432731179.db2.gz NROSWCDIFPEMAU-ZDUSSCGKSA-N 0 0 316.239 3.041 20 10 DGCDRN CC(C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])[nH]1 ZINC000276851326 432826744 /nfs/dbraw/zinc/82/67/44/432826744.db2.gz BCRCNFGYIYTVNG-DTWKUNHWSA-N 0 0 310.348 3.324 20 10 DGCDRN CC(C)c1nnc([C@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])[nH]1 ZINC000276851322 432826939 /nfs/dbraw/zinc/82/69/39/432826939.db2.gz BCRCNFGYIYTVNG-BDAKNGLRSA-N 0 0 310.348 3.324 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000276904115 432826950 /nfs/dbraw/zinc/82/69/50/432826950.db2.gz JMNAULHAZZTKPP-JSGCOSHPSA-N 0 0 321.367 3.315 20 10 DGCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C1CCCCC1 ZINC000277082399 432829342 /nfs/dbraw/zinc/82/93/42/432829342.db2.gz APQSGVLOAJVQBD-UHFFFAOYSA-N 0 0 322.792 3.143 20 10 DGCDRN C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)CC[C@@H]1c1ccccc1 ZINC000237438926 432786872 /nfs/dbraw/zinc/78/68/72/432786872.db2.gz DAAXGGGORCDQOE-BEFAXECRSA-N 0 0 308.425 3.464 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N(C)[C@@H]2CCSC2)cc1 ZINC000178906916 432787901 /nfs/dbraw/zinc/78/79/01/432787901.db2.gz WRFMYHBWJQOPRL-MRXNPFEDSA-N 0 0 321.490 3.180 20 10 DGCDRN C[C@@H](NC(=O)COc1ccc(N(C)C)cc1)c1cccs1 ZINC000277730646 432873152 /nfs/dbraw/zinc/87/31/52/432873152.db2.gz HQBLHKPJJGTADR-GFCCVEGCSA-N 0 0 304.415 3.070 20 10 DGCDRN CCOc1ccc(O)c(CN[C@@H](C)c2nnc([C@@H](C)CC)[nH]2)c1 ZINC000277442278 432850555 /nfs/dbraw/zinc/85/05/55/432850555.db2.gz OKIIOJJHGFIRRG-RYUDHWBXSA-N 0 0 318.421 3.273 20 10 DGCDRN C[C@H](c1ccc(F)cc1[O-])[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000296587633 432923238 /nfs/dbraw/zinc/92/32/38/432923238.db2.gz UTSHJXTWWGWKMO-CHWSQXEVSA-N 0 0 322.424 3.206 20 10 DGCDRN Cc1cccnc1CCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000296640961 432923976 /nfs/dbraw/zinc/92/39/76/432923976.db2.gz YBCGWGMPTADDSN-ZDUSSCGKSA-N 0 0 315.373 3.287 20 10 DGCDRN CC(C)ONC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000296775714 432926062 /nfs/dbraw/zinc/92/60/62/432926062.db2.gz XGADVIUWOJZNLE-UHFFFAOYSA-N 0 0 305.422 3.062 20 10 DGCDRN C[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc(F)cc1[O-] ZINC000278504501 432897282 /nfs/dbraw/zinc/89/72/82/432897282.db2.gz QUUOTMAPCJTZSZ-QMMMGPOBSA-N 0 0 313.266 3.099 20 10 DGCDRN COC(=O)c1coc([C@H](C)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000278758214 432900456 /nfs/dbraw/zinc/90/04/56/432900456.db2.gz OJDIXKXWUNJXMO-NSHDSACASA-N 0 0 320.364 3.122 20 10 DGCDRN COc1c(O)c(CNc2ccc3c(c2)CCC3)ccc1[N+](=O)[O-] ZINC000278846764 432908476 /nfs/dbraw/zinc/90/84/76/432908476.db2.gz KQITWCZVJNOOOF-UHFFFAOYSA-N 0 0 314.341 3.410 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@@H](C)c2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000278905803 432914848 /nfs/dbraw/zinc/91/48/48/432914848.db2.gz RQYIMZBDOJNYLZ-LBPRGKRZSA-N 0 0 316.357 3.468 20 10 DGCDRN CCc1ccc([C@@H](O)C[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000289625890 432969728 /nfs/dbraw/zinc/96/97/28/432969728.db2.gz WOOFPOHHJBHZBJ-INIZCTEOSA-N 0 0 305.805 3.431 20 10 DGCDRN COc1cccc(CNC(=O)NCCC(C)(C)C2CC2)c1O ZINC000297198146 432973552 /nfs/dbraw/zinc/97/35/52/432973552.db2.gz CQCJVAWBECEBHW-UHFFFAOYSA-N 0 0 306.406 3.026 20 10 DGCDRN CCCOc1ccc(CN2CCOC[C@@H]2CC(F)F)c(O)c1 ZINC000289800529 432974407 /nfs/dbraw/zinc/97/44/07/432974407.db2.gz SKYJYHZRBNSZQM-ZDUSSCGKSA-N 0 0 315.360 3.037 20 10 DGCDRN CCCN(CCC)c1ccc(CN[C@@]2(C)CCOC2=O)cc1 ZINC000289828350 432975377 /nfs/dbraw/zinc/97/53/77/432975377.db2.gz OCNVLZLWRLMLQR-SFHVURJKSA-N 0 0 304.434 3.108 20 10 DGCDRN CCOc1cccc(CN2CCCC[C@@H]2c2nc(C)no2)c1O ZINC000289907563 432978292 /nfs/dbraw/zinc/97/82/92/432978292.db2.gz UWCGIFSXUJXGAY-CQSZACIVSA-N 0 0 317.389 3.210 20 10 DGCDRN CCOCc1nnc(NCc2c(C)c3ccccc3n2C)o1 ZINC000279593570 432987062 /nfs/dbraw/zinc/98/70/62/432987062.db2.gz FTHYFXWCLXYZBD-UHFFFAOYSA-N 0 0 300.362 3.018 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CSCCC(F)(F)F)cc1 ZINC000279989617 433000115 /nfs/dbraw/zinc/00/01/15/433000115.db2.gz QXPWPISBYPOYKK-UHFFFAOYSA-N 0 0 320.380 3.054 20 10 DGCDRN Oc1cccc2c1[C@H]([NH2+]CC1([C@H](O)c3ccccc3)CC1)CC2 ZINC000297047292 432952183 /nfs/dbraw/zinc/95/21/83/432952183.db2.gz VLCRVGJOFBQBAZ-VQIMIIECSA-N 0 0 309.409 3.483 20 10 DGCDRN CN(C)c1ccc(CN2CC[C@H](n3cc(Cl)cn3)C2)cc1F ZINC000291014714 433216167 /nfs/dbraw/zinc/21/61/67/433216167.db2.gz XEYUAFXLLCAVDY-AWEZNQCLSA-N 0 0 322.815 3.189 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000281144226 433267949 /nfs/dbraw/zinc/26/79/49/433267949.db2.gz ORYAGSFWMGDQNP-NXEZZACHSA-N 0 0 300.305 3.386 20 10 DGCDRN C[C@@H]1Oc2ccccc2[C@H]1NC(=O)N(C)Cc1ccccc1O ZINC000291761963 433344022 /nfs/dbraw/zinc/34/40/22/433344022.db2.gz HXRCEOVENGLILY-SJCJKPOMSA-N 0 0 312.369 3.056 20 10 DGCDRN CCOC1(C)CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000291873960 433380310 /nfs/dbraw/zinc/38/03/10/433380310.db2.gz NUFJNKNSHFBHTM-UHFFFAOYSA-N 0 0 324.377 3.007 20 10 DGCDRN COc1ccc(O)c([C@@H](C)Nc2nccc(C(F)(F)F)n2)c1 ZINC000301177477 433443306 /nfs/dbraw/zinc/44/33/06/433443306.db2.gz GPKQUCQGSMNMDR-MRVPVSSYSA-N 0 0 313.279 3.383 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OCC(=O)N(C)CC3CC3)cc12 ZINC000421186324 433453425 /nfs/dbraw/zinc/45/34/25/433453425.db2.gz DWRPHZJYOPXBGR-UHFFFAOYSA-N 0 0 300.402 3.042 20 10 DGCDRN O=C1/C(=C/c2cccc3c2OCO3)SC(=S)N1C1CCC1 ZINC000292399039 433563695 /nfs/dbraw/zinc/56/36/95/433563695.db2.gz WZIMPIXAEVGVRK-GHXNOFRVSA-N 0 0 319.407 3.169 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cnc(C)nc1C ZINC000282395446 433593951 /nfs/dbraw/zinc/59/39/51/433593951.db2.gz DXBRZMYXCMEPGG-UHFFFAOYSA-N 0 0 313.401 3.242 20 10 DGCDRN CCCc1nc(C)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)o1 ZINC000292684795 433588231 /nfs/dbraw/zinc/58/82/31/433588231.db2.gz IYASIXLPCWBINC-UHFFFAOYSA-N 0 0 315.417 3.274 20 10 DGCDRN O=C(c1ccccc1)N1CC[C@@H](CSc2nccs2)C1 ZINC000282259197 433547225 /nfs/dbraw/zinc/54/72/25/433547225.db2.gz RZUCTRGWCWYNHI-GFCCVEGCSA-N 0 0 304.440 3.398 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)C[C@@](C)(O)C1CC1 ZINC000282436483 433610302 /nfs/dbraw/zinc/61/03/02/433610302.db2.gz HVAYXEHOGLGNOE-GOSISDBHSA-N 0 0 305.418 3.072 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cccc(F)n1 ZINC000282609134 433618464 /nfs/dbraw/zinc/61/84/64/433618464.db2.gz YRJGVYNVQPNGNP-UHFFFAOYSA-N 0 0 302.349 3.369 20 10 DGCDRN CC(C)c1nnc(NCc2ccc(N3CCOCC3)cc2)s1 ZINC000301674276 433668986 /nfs/dbraw/zinc/66/89/86/433668986.db2.gz GQOCGULOPUVOIM-UHFFFAOYSA-N 0 0 318.446 3.110 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CSCCS1 ZINC000293511462 433765029 /nfs/dbraw/zinc/76/50/29/433765029.db2.gz CFMBKUNWZZBTGF-SECBINFHSA-N 0 0 307.843 3.123 20 10 DGCDRN CO[C@H](C[NH2+][C@@H](C)c1ccc(Br)cc1O)C1CC1 ZINC000293636849 433811574 /nfs/dbraw/zinc/81/15/74/433811574.db2.gz GWCYGRCLQINYFK-LKFCYVNXSA-N 0 0 314.223 3.230 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCCCC1(F)F ZINC000450050995 433942565 /nfs/dbraw/zinc/94/25/65/433942565.db2.gz VHWNCIYSKCKSBB-CYBMUJFWSA-N 0 0 324.371 3.304 20 10 DGCDRN CSCc1cnc(CNCc2ccc(N(C)C)cc2)s1 ZINC000293995187 433954750 /nfs/dbraw/zinc/95/47/50/433954750.db2.gz FSHROTFMSHPQTM-UHFFFAOYSA-N 0 0 307.488 3.362 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)CC3CCCC3)CC2)cc1 ZINC000363298466 434013482 /nfs/dbraw/zinc/01/34/82/434013482.db2.gz DVYNXVIKTPJBLJ-UHFFFAOYSA-N 0 0 316.445 3.314 20 10 DGCDRN CCCc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)no1 ZINC000294622466 434122791 /nfs/dbraw/zinc/12/27/91/434122791.db2.gz WNDNJYWXRLSIFB-UHFFFAOYSA-N 0 0 313.401 3.157 20 10 DGCDRN COc1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000363859964 434167167 /nfs/dbraw/zinc/16/71/67/434167167.db2.gz SVYLAVFDNZMQOT-OUENDJJVSA-N 0 0 305.418 3.255 20 10 DGCDRN CC[C@H](Sc1ncc(C(=O)OC)s1)C(=O)OC(C)(C)C ZINC000295368469 434329040 /nfs/dbraw/zinc/32/90/40/434329040.db2.gz SCRTVHHJTVVAPM-QMMMGPOBSA-N 0 0 317.432 3.142 20 10 DGCDRN CCC[C@@H]1CCC[C@@H]1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000295656343 434426387 /nfs/dbraw/zinc/42/63/87/434426387.db2.gz DNPTUIBVKVHPHL-YUELXQCFSA-N 0 0 305.418 3.361 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000366757338 434503104 /nfs/dbraw/zinc/50/31/04/434503104.db2.gz RTEXWOOQTXOZMS-RUMSDORHSA-N 0 0 309.365 3.416 20 10 DGCDRN Cc1cc(NS(=O)(=O)c2ccc(C3CC3)cc2)ccc1O ZINC000295971803 434457235 /nfs/dbraw/zinc/45/72/35/434457235.db2.gz NNLJXYCQNFXJFU-UHFFFAOYSA-N 0 0 303.383 3.379 20 10 DGCDRN CC[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1ccc(F)cc1[O-] ZINC000367602264 434552100 /nfs/dbraw/zinc/55/21/00/434552100.db2.gz SFFAQBSMZAUJMB-JQHSSLGASA-N 0 0 301.361 3.230 20 10 DGCDRN Cc1cc(C(=O)N2CCn3nccc32)c(C)n1-c1cccc(C)c1 ZINC000367649283 434552954 /nfs/dbraw/zinc/55/29/54/434552954.db2.gz RGCUBVRQWKUXEZ-UHFFFAOYSA-N 0 0 320.396 3.259 20 10 DGCDRN Cn1cc(CN2CCc3cc(F)ccc32)c(-c2cccnc2)n1 ZINC000370270550 434609822 /nfs/dbraw/zinc/60/98/22/434609822.db2.gz KDHGWLLIFSVSKK-UHFFFAOYSA-N 0 0 308.360 3.184 20 10 DGCDRN Cc1ccc(O)c(C[NH2+]Cc2ccccc2-c2cnn(C)c2)c1 ZINC000372862790 434859228 /nfs/dbraw/zinc/85/92/28/434859228.db2.gz JTZLSTKHFNCBPM-UHFFFAOYSA-N 0 0 307.397 3.391 20 10 DGCDRN CCn1nncc1C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000527917255 435017436 /nfs/dbraw/zinc/01/74/36/435017436.db2.gz SLADISDCXIKBIB-MRVPVSSYSA-N 0 0 315.204 3.161 20 10 DGCDRN CCN(C(=O)/C=C/c1cnc2ccccc2n1)c1ncccc1C ZINC000492640536 435028818 /nfs/dbraw/zinc/02/88/18/435028818.db2.gz MMHUMGBGTPSVGH-ZHACJKMWSA-N 0 0 318.380 3.400 20 10 DGCDRN O=C(/C=C/c1cccnc1)N1CCC[C@@H](O)c2cc(F)ccc21 ZINC000492423966 434979634 /nfs/dbraw/zinc/97/96/34/434979634.db2.gz DSIFNDOHAFCEQI-ZGRWHYIRSA-N 0 0 312.344 3.094 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C/c2ccc(C)nc2)cc1OC ZINC000492429827 434981250 /nfs/dbraw/zinc/98/12/50/434981250.db2.gz RZMDFTJFBVBHMM-JXMROGBWSA-N 0 0 312.369 3.083 20 10 DGCDRN Cc1nnc(COc2ccc3c(c2)c2c(n3C)CCCC2)n1C ZINC000647164222 435957794 /nfs/dbraw/zinc/95/77/94/435957794.db2.gz MGLWGLSIACMQPZ-UHFFFAOYSA-N 0 0 310.401 3.073 20 10 DGCDRN CCNc1nccnc1N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000663370513 436449045 /nfs/dbraw/zinc/44/90/45/436449045.db2.gz QMPPZPUVDGUIQE-UHFFFAOYSA-N 0 0 320.400 3.078 20 10 DGCDRN COc1cccc(CNC(=O)[C@@H](C)Cc2ccccc2C)c1O ZINC000528863422 313101737 /nfs/dbraw/zinc/10/17/37/313101737.db2.gz WHHVOZQRVOHZNB-AWEZNQCLSA-N 0 0 313.397 3.204 20 10 DGCDRN C[C@@](O)(C[NH2+]Cc1cc(Cl)c(F)cc1[O-])c1cccs1 ZINC000293547775 335109125 /nfs/dbraw/zinc/10/91/25/335109125.db2.gz GSPBSOWXAZFXEK-CQSZACIVSA-N 0 0 315.797 3.244 20 10 DGCDRN CCCOc1ccc(CN2CCC[C@@H]2c2nc(C)no2)c(O)c1 ZINC000289845641 334168435 /nfs/dbraw/zinc/16/84/35/334168435.db2.gz PSARWEPOBPTGOD-OAHLLOKOSA-N 0 0 317.389 3.210 20 10 DGCDRN CN(C)c1ccc(CNc2nc3ccccc3c(=O)[nH]2)cc1F ZINC000301079885 336288906 /nfs/dbraw/zinc/28/89/06/336288906.db2.gz DCIYZBCITJQSJG-UHFFFAOYSA-N 0 0 312.348 3.153 20 10 DGCDRN CN1Cc2ccccc2[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000359900221 337440522 /nfs/dbraw/zinc/44/05/22/337440522.db2.gz OMEOPGLIIGSKSC-MRXNPFEDSA-N 0 0 302.805 3.322 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2conc2C(C)C)c1 ZINC000528860105 340737208 /nfs/dbraw/zinc/73/72/08/340737208.db2.gz JFWLRAFPCGACHG-JTQLQIEISA-N 0 0 304.346 3.003 20 10 DGCDRN COc1ccc(Cl)cc1N(C)C(=O)/C=C/c1cccnc1 ZINC000074607939 341149303 /nfs/dbraw/zinc/14/93/03/341149303.db2.gz XOWITURIOGZANA-VMPITWQZSA-N 0 0 302.761 3.420 20 10 DGCDRN COc1cccnc1NC(=O)NCc1c(C)c2ccccc2n1C ZINC000548090469 341246615 /nfs/dbraw/zinc/24/66/15/341246615.db2.gz IXNLWNAWZJTBKD-UHFFFAOYSA-N 0 0 324.384 3.212 20 10 DGCDRN COc1cc(Cl)cc(CN2C[C@@H](CO)c3ccccc32)c1O ZINC000293941543 533952783 /nfs/dbraw/zinc/95/27/83/533952783.db2.gz OIRIOLODTMRPHO-LBPRGKRZSA-N 0 0 319.788 3.150 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CS[C@@H](C)C1 ZINC000413508517 533970306 /nfs/dbraw/zinc/97/03/06/533970306.db2.gz URFUQHKUBASSGL-WCQYABFASA-N 0 0 317.458 3.180 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)c1ccccn1 ZINC000349137174 533970832 /nfs/dbraw/zinc/97/08/32/533970832.db2.gz CBHXETQVEUOWMZ-CQSZACIVSA-N 0 0 322.412 3.442 20 10 DGCDRN Cc1ccc(O)c(CNc2nnc([C@H]3Cc4ccccc4O3)o2)c1 ZINC000181753504 534199194 /nfs/dbraw/zinc/19/91/94/534199194.db2.gz PIOXMLDOLUMWDR-MRXNPFEDSA-N 0 0 323.352 3.372 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2c2sccc2C)c1 ZINC000133599386 534201101 /nfs/dbraw/zinc/20/11/01/534201101.db2.gz VGAPUNAKEUDDSS-ZIAGYGMSSA-N 0 0 317.410 3.191 20 10 DGCDRN CC(C)(C)c1cnc(SCC(=O)c2ccc(O)c(O)c2)o1 ZINC000130117195 519076644 /nfs/dbraw/zinc/07/66/44/519076644.db2.gz QSELYNRPCQHHBN-UHFFFAOYSA-N 0 0 307.371 3.358 20 10 DGCDRN CC(C)[C@H](C)N(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000264758754 519811463 /nfs/dbraw/zinc/81/14/63/519811463.db2.gz PMYAYQPQDLHKMU-JCVNQNCUSA-N 0 0 316.445 3.039 20 10 DGCDRN CC1(C)C[C@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1 ZINC000160437407 520555061 /nfs/dbraw/zinc/55/50/61/520555061.db2.gz FHAQSORNMXKDOF-LLVKDONJSA-N 0 0 314.769 3.001 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C2CCSCC2)cc1 ZINC000264852197 520895183 /nfs/dbraw/zinc/89/51/83/520895183.db2.gz NBWPYJMXDSNCRX-UHFFFAOYSA-N 0 0 306.475 3.292 20 10 DGCDRN CCN(CC)c1ccc(CN[C@@H](C)c2cnccn2)cc1F ZINC000158706331 520911785 /nfs/dbraw/zinc/91/17/85/520911785.db2.gz TYCAEQFKDMCOLA-ZDUSSCGKSA-N 0 0 302.397 3.313 20 10 DGCDRN CCC(C)(C)N(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000265524029 521290231 /nfs/dbraw/zinc/29/02/31/521290231.db2.gz NQHJJVZFBNVCLQ-DHZHZOJOSA-N 0 0 316.445 3.183 20 10 DGCDRN CCCc1ccccc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000134577707 521439498 /nfs/dbraw/zinc/43/94/98/521439498.db2.gz VSOXHARQAVPJAO-UHFFFAOYSA-N 0 0 314.385 3.415 20 10 DGCDRN CCCn1c(C)nnc1CN(C)c1ccc(OC)c(Cl)c1 ZINC000161224078 521621952 /nfs/dbraw/zinc/62/19/52/521621952.db2.gz FBWSWIAMRHWVBN-UHFFFAOYSA-N 0 0 308.813 3.295 20 10 DGCDRN CCOc1nnc(CN(C)c2ccc(OC)c(Cl)c2)s1 ZINC000268159007 521627394 /nfs/dbraw/zinc/62/73/94/521627394.db2.gz JAXAKRNBPZKRFA-UHFFFAOYSA-N 0 0 313.810 3.235 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)CCn1cc(Cl)cn1 ZINC000269169199 521687733 /nfs/dbraw/zinc/68/77/33/521687733.db2.gz QZIVJDYWROVCLR-UHFFFAOYSA-N 0 0 321.808 3.071 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1scnc1CC ZINC000162626868 521689878 /nfs/dbraw/zinc/68/98/78/521689878.db2.gz FVHVNCKWEHXKFV-UHFFFAOYSA-N 0 0 304.415 3.464 20 10 DGCDRN CCCN(Cc1nnc(C)n1CCC)Cc1ccccc1O ZINC000159983444 521695475 /nfs/dbraw/zinc/69/54/75/521695475.db2.gz ACGRHMHPMFVTOA-UHFFFAOYSA-N 0 0 302.422 3.114 20 10 DGCDRN CCSCC[C@H](C)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180834027 521713767 /nfs/dbraw/zinc/71/37/67/521713767.db2.gz UXCVMRNBWXAHNZ-WMADIVHISA-N 0 0 309.431 3.101 20 10 DGCDRN CCc1cnc(CN(C)Cc2cc(OC)c(OC)cc2O)s1 ZINC000160348701 522022229 /nfs/dbraw/zinc/02/22/29/522022229.db2.gz KZOGABIKAKZAGM-UHFFFAOYSA-N 0 0 322.430 3.060 20 10 DGCDRN CC[C@H](CC1CCCC1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000122285786 522123092 /nfs/dbraw/zinc/12/30/92/522123092.db2.gz RVBJHDFFNYKVSP-OAHLLOKOSA-N 0 0 305.418 3.363 20 10 DGCDRN COc1cc(N(C)Cc2nc(C)cs2)cc(OC)c1OC ZINC000130985303 522622090 /nfs/dbraw/zinc/62/20/90/522622090.db2.gz FMIILUKEIIGJOD-UHFFFAOYSA-N 0 0 308.403 3.114 20 10 DGCDRN COc1cc(N(C)Cc2cccnc2Cl)cc(OC)c1OC ZINC000172896203 522622797 /nfs/dbraw/zinc/62/27/97/522622797.db2.gz JHQGZOQXUAIUHC-UHFFFAOYSA-N 0 0 322.792 3.397 20 10 DGCDRN COCc1noc(CN(c2ccc(OC)cc2)[C@@H](C)C2CC2)n1 ZINC000182652977 523256427 /nfs/dbraw/zinc/25/64/27/523256427.db2.gz XSCLMGLBKIGUJX-LBPRGKRZSA-N 0 0 317.389 3.030 20 10 DGCDRN CC[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)CCO1 ZINC000183525967 523365130 /nfs/dbraw/zinc/36/51/30/523365130.db2.gz WMRRANQEUAMGKC-WMZOPIPTSA-N 0 0 316.445 3.108 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000130683519 523381549 /nfs/dbraw/zinc/38/15/49/523381549.db2.gz XBZAUOYMKZOTHC-NZSAHSFTSA-N 0 0 322.408 3.262 20 10 DGCDRN CC[C@H]1[C@H](C)CCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000188090987 523431761 /nfs/dbraw/zinc/43/17/61/523431761.db2.gz LKERYTKIDPGMTH-QAPCUYQASA-N 0 0 313.445 3.393 20 10 DGCDRN CCn1cnc2c1ncnc2NCc1c(O)ccc2c1CCCC2 ZINC000266293316 523571503 /nfs/dbraw/zinc/57/15/03/523571503.db2.gz XBQGRLGCDRMBLZ-UHFFFAOYSA-N 0 0 323.400 3.043 20 10 DGCDRN COC(=O)[C@@H](NCc1cccc(C)c1O)c1ccc(F)c(C)c1 ZINC000189595442 523635365 /nfs/dbraw/zinc/63/53/65/523635365.db2.gz RFTVTUAEWWWHIP-INIZCTEOSA-N 0 0 317.360 3.152 20 10 DGCDRN CC[C@H](C)CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000189695732 523842433 /nfs/dbraw/zinc/84/24/33/523842433.db2.gz IWVCVXZERXKJRC-HOCLYGCPSA-N 0 0 305.418 3.336 20 10 DGCDRN COc1ccc(CNCc2csc([C@H](C)OC)n2)cc1C ZINC000267638626 524073429 /nfs/dbraw/zinc/07/34/29/524073429.db2.gz QDEJAMJCKNSXQB-LBPRGKRZSA-N 0 0 306.431 3.457 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)sc1C ZINC000183414929 524142618 /nfs/dbraw/zinc/14/26/18/524142618.db2.gz DCBVSIBTNHTPKF-SNVBAGLBSA-N 0 0 305.399 3.137 20 10 DGCDRN Cc1cc(C(=O)Nc2ncnn2C)c(C)n1-c1cc(C)cc(C)c1 ZINC000162962960 524188133 /nfs/dbraw/zinc/18/81/33/524188133.db2.gz WCFRQVIPMZTEPC-UHFFFAOYSA-N 0 0 323.400 3.092 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H]1CC[C@H](O)C1 ZINC000191364524 524220126 /nfs/dbraw/zinc/22/01/26/524220126.db2.gz WSVYLBAXSLGRHS-KBPBESRZSA-N 0 0 318.442 3.046 20 10 DGCDRN Cc1cccc(CN2CCO[C@H](c3ccccc3F)C2)c1O ZINC000180024287 524403443 /nfs/dbraw/zinc/40/34/43/524403443.db2.gz AWJGLKSZQWXDRX-KRWDZBQOSA-N 0 0 301.361 3.413 20 10 DGCDRN C[C@@H](CCc1cccc(F)c1)C(=O)NCc1ccccc1O ZINC000266552318 524527572 /nfs/dbraw/zinc/52/75/72/524527572.db2.gz MOOREKAYVCENGE-ZDUSSCGKSA-N 0 0 301.361 3.416 20 10 DGCDRN Cc1cccc(NCc2ccc(N3CCC(O)CC3)c(F)c2)n1 ZINC000127795123 524683741 /nfs/dbraw/zinc/68/37/41/524683741.db2.gz LCXJSZUUJRMURT-UHFFFAOYSA-N 0 0 315.392 3.102 20 10 DGCDRN Cc1ccccc1[C@@H](C)CC(=O)NCCc1ccc(O)c(O)c1 ZINC000156663061 525345048 /nfs/dbraw/zinc/34/50/48/525345048.db2.gz JRBBDOYCTMMTTJ-AWEZNQCLSA-N 0 0 313.397 3.259 20 10 DGCDRN Cc1ccc(OC2CCN(C(=O)Cc3ccc(N)cc3)CC2)cc1 ZINC000237776632 525373561 /nfs/dbraw/zinc/37/35/61/525373561.db2.gz POEMOEUNEAMZEH-UHFFFAOYSA-N 0 0 324.424 3.190 20 10 DGCDRN C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc(F)c(F)c1[O-] ZINC000191193808 525409497 /nfs/dbraw/zinc/40/94/97/525409497.db2.gz TXGCWQURTGLOLX-XPTSAGLGSA-N 0 0 311.303 3.194 20 10 DGCDRN Cc1cccn2cc(CNCc3ccc(N(C)C)c(F)c3)nc12 ZINC000124017145 525472175 /nfs/dbraw/zinc/47/21/75/525472175.db2.gz COGTTYXRNCQBCJ-UHFFFAOYSA-N 0 0 312.392 3.138 20 10 DGCDRN Cc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@H]2C)c(O)c1O ZINC000182577313 526130073 /nfs/dbraw/zinc/13/00/73/526130073.db2.gz BLKTYJNOMLLVJT-HIFRSBDPSA-N 0 0 311.381 3.424 20 10 DGCDRN Cc1cncc(/C=C/C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000131553344 526173050 /nfs/dbraw/zinc/17/30/50/526173050.db2.gz BKFLKWIAAFRSRK-JXMROGBWSA-N 0 0 309.413 3.128 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000126687230 526324749 /nfs/dbraw/zinc/32/47/49/526324749.db2.gz ODKDYJBVFGSSDA-FOSCPWQOSA-N 0 0 302.201 3.187 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccncc1Cl ZINC000266683903 526680906 /nfs/dbraw/zinc/68/09/06/526680906.db2.gz MHFNTTFWXLWKDO-UHFFFAOYSA-N 0 0 315.804 3.265 20 10 DGCDRN O=C(NCc1ccccc1O)NCC1(c2cccc(F)c2)CC1 ZINC000265735441 526754029 /nfs/dbraw/zinc/75/40/29/526754029.db2.gz CKGHGRQOZIBRGX-UHFFFAOYSA-N 0 0 314.360 3.062 20 10 DGCDRN Cc1nc(CC(C)C)c(NC(=O)Cc2ccc(N)cc2)s1 ZINC000161835227 526796867 /nfs/dbraw/zinc/79/68/67/526796867.db2.gz DWHLVZVJTPYFMZ-UHFFFAOYSA-N 0 0 303.431 3.413 20 10 DGCDRN Cc1occc1SCC(=O)NCc1ccc(N(C)C)cc1 ZINC000181278519 526829585 /nfs/dbraw/zinc/82/95/85/526829585.db2.gz SGADWGWBWLLLBS-UHFFFAOYSA-N 0 0 304.415 3.063 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C\c1ccc([N+](=O)[O-])s1 ZINC000180708531 527044903 /nfs/dbraw/zinc/04/49/03/527044903.db2.gz ODCNCBRNHMDEQN-NTMALXAHSA-N 0 0 323.399 3.113 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1[O-] ZINC000152794449 527206315 /nfs/dbraw/zinc/20/63/15/527206315.db2.gz VWXZSFORUWKEPP-WBMJQRKESA-N 0 0 323.820 3.249 20 10 DGCDRN Nc1ccc(CC(=O)N2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000364264217 527475310 /nfs/dbraw/zinc/47/53/10/527475310.db2.gz XEILVVCMQZSWNF-QGZVFWFLSA-N 0 0 312.438 3.128 20 10 DGCDRN Nc1ccc(CCNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)cc1 ZINC000152546855 527480980 /nfs/dbraw/zinc/48/09/80/527480980.db2.gz NRTZOGYQIOJCTC-JKSUJKDBSA-N 0 0 316.351 3.009 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1Cc2cccc(Cl)c2C1 ZINC000366218916 527614004 /nfs/dbraw/zinc/61/40/04/527614004.db2.gz RMFJCDZAVHAXQO-FNORWQNLSA-N 0 0 315.756 3.307 20 10 DGCDRN CC[C@@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1ccc(F)cc1[O-] ZINC000367554377 529204574 /nfs/dbraw/zinc/20/45/74/529204574.db2.gz SFFAQBSMZAUJMB-BPQIPLTHSA-N 0 0 301.361 3.230 20 10 DGCDRN CC(C)(C)c1ccc(CC(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000272387368 535112609 /nfs/dbraw/zinc/11/26/09/535112609.db2.gz XBVSIBQSCLTDEV-UHFFFAOYSA-N 0 0 313.397 3.254 20 10 DGCDRN CC(C)N(Cc1nc(C2CC2)no1)Cc1ccc(N(C)C)cc1 ZINC000298685265 535119972 /nfs/dbraw/zinc/11/99/72/535119972.db2.gz BGFWJXJIVRJTJH-UHFFFAOYSA-N 0 0 314.433 3.424 20 10 DGCDRN CC[C@@H]([NH2+]CCC(=O)N1CCCCCC1)c1ccc(F)cc1[O-] ZINC000285535292 535803212 /nfs/dbraw/zinc/80/32/12/535803212.db2.gz BWLFCAJMTOLAFB-MRXNPFEDSA-N 0 0 322.424 3.365 20 10 DGCDRN CC[C@H]([NH2+]CC[S@](=O)C(C)(C)C)c1ccc(F)cc1[O-] ZINC000285977009 535906094 /nfs/dbraw/zinc/90/60/94/535906094.db2.gz HLMUUMNZGMDINM-RBZFPXEDSA-N 0 0 301.427 3.119 20 10 DGCDRN CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NCc1ccc(N)cc1 ZINC000297118239 536043489 /nfs/dbraw/zinc/04/34/89/536043489.db2.gz GHXVNHWTFRMYLJ-JQFCIGGWSA-N 0 0 304.434 3.259 20 10 DGCDRN C[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)C1CCCC1 ZINC000674097520 548036563 /nfs/dbraw/zinc/03/65/63/548036563.db2.gz HOUILMOVRNCKIV-ZDUSSCGKSA-N 0 0 302.418 3.304 20 10 DGCDRN CC[C@H]1C(=O)NCCN1Cc1cc2oc3ccccc3c2cc1O ZINC000730257241 574522947 /nfs/dbraw/zinc/52/29/47/574522947.db2.gz WUUZPUQYMHNEDD-HNNXBMFYSA-N 0 0 324.380 3.002 20 10 DGCDRN CC1CCN(c2ccc(CNC(=S)NC3CC3)cc2)CC1 ZINC000730953022 574539338 /nfs/dbraw/zinc/53/93/38/574539338.db2.gz JXCWLFRXVFAKNP-UHFFFAOYSA-N 0 0 303.475 3.049 20 10 DGCDRN CC(C)NC(=S)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000730953458 574539491 /nfs/dbraw/zinc/53/94/91/574539491.db2.gz ZNPCEUNEMFYJRV-UHFFFAOYSA-N 0 0 305.491 3.295 20 10 DGCDRN Cc1c[nH]cc1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000731016434 574541486 /nfs/dbraw/zinc/54/14/86/574541486.db2.gz QSKXSVQEIGHNOX-UHFFFAOYSA-N 0 0 311.429 3.489 20 10 DGCDRN CCCCO[C@@H](C)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000731345540 574547682 /nfs/dbraw/zinc/54/76/82/574547682.db2.gz ARGFGBKXNGRBSU-AWEZNQCLSA-N 0 0 324.440 3.493 20 10 DGCDRN CSC[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000731324284 574546790 /nfs/dbraw/zinc/54/67/90/574546790.db2.gz GDHYWQQAAMAPHF-CYBMUJFWSA-N 0 0 306.475 3.243 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H](C)CSC)cc1 ZINC000731327212 574547412 /nfs/dbraw/zinc/54/74/12/574547412.db2.gz JOIAJTFNDCNVJK-CQSZACIVSA-N 0 0 308.491 3.490 20 10 DGCDRN Cn1cc(/C=C\C(=O)N2CCCc3c(Cl)ccc(F)c32)cn1 ZINC000731465456 574549918 /nfs/dbraw/zinc/54/99/18/574549918.db2.gz NVXMOOMMXBIKQA-DAXSKMNVSA-N 0 0 319.767 3.205 20 10 DGCDRN Cc1ccc(C(=O)[C@@H](C)OC(=O)C2=CC(=O)CS2)cc1C ZINC000731912639 574561916 /nfs/dbraw/zinc/56/19/16/574561916.db2.gz WDCKXFLHJTXZCH-LLVKDONJSA-N 0 0 304.367 3.499 20 10 DGCDRN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C1=CC(=O)CS1)CC3 ZINC000732268350 574569674 /nfs/dbraw/zinc/56/96/74/574569674.db2.gz JLGGDNRVPLCVEI-UHFFFAOYSA-N 0 0 312.394 3.442 20 10 DGCDRN O=C(NCCCCOCCc1ccccc1)C1=CC(=O)CS1 ZINC000732274570 574569844 /nfs/dbraw/zinc/56/98/44/574569844.db2.gz ROJGNLSRKNBAKA-UHFFFAOYSA-N 0 0 319.426 3.223 20 10 DGCDRN COc1cccc(C[C@@H]2CCCN2C(=O)C2=CC(=O)CS2)c1 ZINC000732274678 574569861 /nfs/dbraw/zinc/56/98/61/574569861.db2.gz LZKHUPQPSQMUME-ZDUSSCGKSA-N 0 0 317.410 3.310 20 10 DGCDRN CC(C)(C)NC(=O)c1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC000732273422 574569885 /nfs/dbraw/zinc/56/98/85/574569885.db2.gz VYGZKHIZJIOCLO-UHFFFAOYSA-N 0 0 318.398 3.234 20 10 DGCDRN C[C@@H](Cc1nc2ccccc2s1)NC(=O)C1=CC(=O)CS1 ZINC000732278280 574570135 /nfs/dbraw/zinc/57/01/35/574570135.db2.gz GGLMIWGIRLFEIV-VIFPVBQESA-N 0 0 318.423 3.424 20 10 DGCDRN CN(CCCCNC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000732276352 574570137 /nfs/dbraw/zinc/57/01/37/574570137.db2.gz HVFSYCSVIADHQZ-UHFFFAOYSA-N 0 0 304.415 3.100 20 10 DGCDRN O=C(NCc1ccc(Br)cc1)C1=CC(=O)CS1 ZINC000732279727 574570326 /nfs/dbraw/zinc/57/03/26/574570326.db2.gz NYSJRBLPRRAGPH-UHFFFAOYSA-N 0 0 312.188 3.146 20 10 DGCDRN O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)C1=CC(=O)CS1 ZINC000732282526 574570557 /nfs/dbraw/zinc/57/05/57/574570557.db2.gz PVGKELFEIGTALO-DZGCQCFKSA-N 0 0 303.383 3.104 20 10 DGCDRN O=C(NCCCc1nc2c(s1)CCCC2)C1=CC(=O)CS1 ZINC000732284339 574570658 /nfs/dbraw/zinc/57/06/58/574570658.db2.gz PRZKTNUJMQKDGN-UHFFFAOYSA-N 0 0 322.455 3.152 20 10 DGCDRN CCc1cc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)ncn1 ZINC000733188486 574606153 /nfs/dbraw/zinc/60/61/53/574606153.db2.gz GLRNWHBSOLPWDO-AWEZNQCLSA-N 0 0 312.417 3.049 20 10 DGCDRN COc1cc(C(=O)NCCCSc2nccs2)ccc1C ZINC000733880473 574641627 /nfs/dbraw/zinc/64/16/27/574641627.db2.gz KWVZPJYNWLNIBC-UHFFFAOYSA-N 0 0 322.455 3.372 20 10 DGCDRN O=C(NCCCSc1nccs1)c1cccc(Cl)n1 ZINC000733974684 574645415 /nfs/dbraw/zinc/64/54/15/574645415.db2.gz JAANQIYZLMKQRH-UHFFFAOYSA-N 0 0 313.835 3.104 20 10 DGCDRN Cc1nonc1CN1CCCc2cc(OC(F)(F)F)ccc21 ZINC000733897892 574642064 /nfs/dbraw/zinc/64/20/64/574642064.db2.gz QHYSPQINTOAQOW-UHFFFAOYSA-N 0 0 313.279 3.229 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCc2coc3ccccc23)cc1 ZINC000734006024 574646691 /nfs/dbraw/zinc/64/66/91/574646691.db2.gz ZMVBHJTZAYVHII-UHFFFAOYSA-N 0 0 323.396 3.498 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NCC[C@H]2CCCC[C@H]2C)c1 ZINC000734067055 574649822 /nfs/dbraw/zinc/64/98/22/574649822.db2.gz GGEJIVQOSKRNOJ-ZIAGYGMSSA-N 0 0 320.433 3.416 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1nc(-c2ccccn2)no1 ZINC000734146446 574651498 /nfs/dbraw/zinc/65/14/98/574651498.db2.gz BOOBCYDAHUIKNM-UHFFFAOYSA-N 0 0 322.368 3.093 20 10 DGCDRN CCOc1ccccc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000734404515 574659649 /nfs/dbraw/zinc/65/96/49/574659649.db2.gz IKLSOEWDMMRYNC-UHFFFAOYSA-N 0 0 312.413 3.390 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cccc2c1CCC2 ZINC000734406572 574659996 /nfs/dbraw/zinc/65/99/96/574659996.db2.gz WABDZESYQYKPAP-UHFFFAOYSA-N 0 0 308.425 3.480 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=S)NC(C2CC2)C2CC2)c1 ZINC000734760682 574676638 /nfs/dbraw/zinc/67/66/38/574676638.db2.gz QOGUYJLCMWFGJJ-SNVBAGLBSA-N 0 0 320.458 3.115 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1CSc2ccccc21 ZINC000735585288 574707341 /nfs/dbraw/zinc/70/73/41/574707341.db2.gz DBOTZZYIZRDEEQ-AWEZNQCLSA-N 0 0 314.410 3.381 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2CSc3ccccc32)c1 ZINC000735509431 574703959 /nfs/dbraw/zinc/70/39/59/574703959.db2.gz ZRIYCUOFLDBRCX-ZDUSSCGKSA-N 0 0 302.355 3.237 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CSc2ccccc21 ZINC000735585290 574707096 /nfs/dbraw/zinc/70/70/96/574707096.db2.gz DBOTZZYIZRDEEQ-CQSZACIVSA-N 0 0 314.410 3.381 20 10 DGCDRN CCOC(=O)c1ccccc1N(CC)C(=O)/C=C\c1cccnc1 ZINC000735812647 574715164 /nfs/dbraw/zinc/71/51/64/574715164.db2.gz JZZNIOZOVDFSFI-QXMHVHEDSA-N 0 0 324.380 3.325 20 10 DGCDRN CC[N@H+](Cc1cc(C(=O)[O-])co1)Cc1ccc(N(C)C)cc1 ZINC000737106540 574824052 /nfs/dbraw/zinc/82/40/52/574824052.db2.gz QJODVLLQOWILLO-UHFFFAOYSA-N 0 0 302.374 3.066 20 10 DGCDRN CN(Cc1nc(C(F)(F)F)cs1)C(=O)C1=CC(=O)CS1 ZINC000746410314 575451264 /nfs/dbraw/zinc/45/12/64/575451264.db2.gz ZTKLWTMIMYUQDA-UHFFFAOYSA-N 0 0 322.333 3.201 20 10 DGCDRN CC[C@H](OC(=O)C1=CC(=O)CS1)C(=O)c1ccc(OC)cc1 ZINC000738653479 574876497 /nfs/dbraw/zinc/87/64/97/574876497.db2.gz ZJUAJVMYKKNIOO-ZDUSSCGKSA-N 0 0 320.366 3.281 20 10 DGCDRN CC[C@@H](OC(=O)C1=CC(=O)CS1)C(=O)c1ccc(OC)cc1 ZINC000738653478 574876581 /nfs/dbraw/zinc/87/65/81/574876581.db2.gz ZJUAJVMYKKNIOO-CYBMUJFWSA-N 0 0 320.366 3.281 20 10 DGCDRN O=C([O-])C[N@@H+](Cc1cc2oc3ccccc3c2cc1O)C1CC1 ZINC000738607717 574874969 /nfs/dbraw/zinc/87/49/69/574874969.db2.gz QOAGMIAKYXZWQQ-UHFFFAOYSA-N 0 0 311.337 3.341 20 10 DGCDRN CCOc1ccc(N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000739922203 574915882 /nfs/dbraw/zinc/91/58/82/574915882.db2.gz BHMXJABHFXTRCV-UHFFFAOYSA-N 0 0 309.369 3.371 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000739922930 574915907 /nfs/dbraw/zinc/91/59/07/574915907.db2.gz RSVZDVCWKJKEEH-GJZGRUSLSA-N 0 0 304.434 3.026 20 10 DGCDRN CCN(CC)c1ccc(CN[C@@H](C)c2nc(C)no2)cc1F ZINC000740004184 574917905 /nfs/dbraw/zinc/91/79/05/574917905.db2.gz HSILOQCQBHNSPF-NSHDSACASA-N 0 0 306.385 3.214 20 10 DGCDRN Cc1ccc([C@H](C)C(=O)NCc2ccc(N(C)C)c(F)c2)o1 ZINC000742597034 575008376 /nfs/dbraw/zinc/00/83/76/575008376.db2.gz JHUFLCPYPWWODQ-LBPRGKRZSA-N 0 0 304.365 3.213 20 10 DGCDRN Cc1ccc([C@@H](C)C(=O)NCc2ccc3c(c2)CCCN3C)o1 ZINC000742597393 575008394 /nfs/dbraw/zinc/00/83/94/575008394.db2.gz XMJMUKKUXRABNM-CQSZACIVSA-N 0 0 312.413 3.390 20 10 DGCDRN COC(C)(C)CNC(=O)c1sccc1-n1c(C)ccc1C ZINC000742718099 575014557 /nfs/dbraw/zinc/01/45/57/575014557.db2.gz JXWDVZOVERUXAG-UHFFFAOYSA-N 0 0 306.431 3.310 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C/c1ccccc1 ZINC000742952572 575025490 /nfs/dbraw/zinc/02/54/90/575025490.db2.gz MCSOENRPQPTLKO-DHZHZOJOSA-N 0 0 308.381 3.191 20 10 DGCDRN Cc1ccc([C@@H](C)C(=O)N2CCOc3cc(N(C)C)ccc32)o1 ZINC000742952741 575025533 /nfs/dbraw/zinc/02/55/33/575025533.db2.gz PVCKECLVHFDJHG-CYBMUJFWSA-N 0 0 314.385 3.183 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(C(C)C)on2)c1 ZINC000743222368 575039374 /nfs/dbraw/zinc/03/93/74/575039374.db2.gz ZFPXLSYDWARPPT-SNVBAGLBSA-N 0 0 319.361 3.395 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CC[C@H]1CC[C@@H](C)O1 ZINC000743293413 575042125 /nfs/dbraw/zinc/04/21/25/575042125.db2.gz YSNWNTFJLZCCAH-CRAIPNDOSA-N 0 0 318.461 3.449 20 10 DGCDRN CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NCc1ccccc1O ZINC000743328381 575043280 /nfs/dbraw/zinc/04/32/80/575043280.db2.gz SRIFVBUWUBWWOZ-LXZKKBNFSA-N 0 0 305.418 3.382 20 10 DGCDRN COc1ccnc(N(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000743333494 575043613 /nfs/dbraw/zinc/04/36/13/575043613.db2.gz RBVLOMYKEPMIHQ-UHFFFAOYSA-N 0 0 312.417 3.112 20 10 DGCDRN O=C(CC1CCC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000743339762 575043712 /nfs/dbraw/zinc/04/37/12/575043712.db2.gz YBVOACSFHKDVDH-MRXNPFEDSA-N 0 0 303.402 3.090 20 10 DGCDRN C[C@@H](CC(=O)c1ccccc1F)C(=O)NCc1ccccc1O ZINC000743328853 575043743 /nfs/dbraw/zinc/04/37/43/575043743.db2.gz WAOYTQRNEPUZEP-LBPRGKRZSA-N 0 0 315.344 3.057 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CC[C@@H]1CC[C@H](C)O1 ZINC000743415572 575049832 /nfs/dbraw/zinc/04/98/32/575049832.db2.gz GHVXUIPWQCIRPW-YOEHRIQHSA-N 0 0 304.434 3.025 20 10 DGCDRN O=C(N[C@H](c1ccccc1)C(F)(F)F)C1=CC(=O)CS1 ZINC000743474256 575053763 /nfs/dbraw/zinc/05/37/63/575053763.db2.gz JOHQRFOKCCSOCG-LLVKDONJSA-N 0 0 301.289 3.487 20 10 DGCDRN C[C@@H]1CCC[C@@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743590335 575057977 /nfs/dbraw/zinc/05/79/77/575057977.db2.gz FQJOVMULGYPRNW-WBMJQRKESA-N 0 0 302.418 3.259 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@H]2C[C@]2(C)c2ccccc2)cc1 ZINC000743642506 575059911 /nfs/dbraw/zinc/05/99/11/575059911.db2.gz SOIUZORFOIMANP-AZUAARDMSA-N 0 0 323.440 3.282 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)NCCC2CC2)cc1 ZINC000743687819 575061012 /nfs/dbraw/zinc/06/10/12/575061012.db2.gz QTGWOOWXLXQXOJ-UHFFFAOYSA-N 0 0 303.450 3.474 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1Cc2ccccc21 ZINC000743717682 575062206 /nfs/dbraw/zinc/06/22/06/575062206.db2.gz VNOUJOIILLKFJW-QGZVFWFLSA-N 0 0 307.393 3.227 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)CCc2ccccc2F)c1 ZINC000728983779 575199411 /nfs/dbraw/zinc/19/94/11/575199411.db2.gz GEAQYHCHFFGTMT-LBPRGKRZSA-N 0 0 317.360 3.350 20 10 DGCDRN CN(C)c1ccc(CN(C)c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000729469996 575250229 /nfs/dbraw/zinc/25/02/29/575250229.db2.gz JNVMVQCKJBARGJ-UHFFFAOYSA-N 0 0 308.385 3.038 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@H]1CCc2ccc(F)cc21 ZINC000730124507 575275443 /nfs/dbraw/zinc/27/54/43/575275443.db2.gz AEXBGGBMMRLPBJ-HNNXBMFYSA-N 0 0 300.333 3.018 20 10 DGCDRN C[C@@H]1CCN(CC[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000744449909 575343930 /nfs/dbraw/zinc/34/39/30/575343930.db2.gz HWGCLENUXCLPMD-SNVBAGLBSA-N 0 0 303.233 3.130 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCC(C2CC2)C2CC2)cc1F ZINC000745786906 575417948 /nfs/dbraw/zinc/41/79/48/575417948.db2.gz PWIUGEDCZHXYEN-UHFFFAOYSA-N 0 0 319.424 3.127 20 10 DGCDRN COc1cccc(CNC(=O)N[C@H]2CCCC[C@H]2C(C)C)c1O ZINC000745803664 575418271 /nfs/dbraw/zinc/41/82/71/575418271.db2.gz RKYHMCHABSBDDY-GJZGRUSLSA-N 0 0 320.433 3.415 20 10 DGCDRN CCN(CC(=O)N(CC(C)C)C1CC1)c1ccc(OC)cc1 ZINC000746107947 575432574 /nfs/dbraw/zinc/43/25/74/575432574.db2.gz SOANDEUTONGVSJ-UHFFFAOYSA-N 0 0 304.434 3.169 20 10 DGCDRN CC(=O)C(C)(C)CCC(=O)NCc1ccc2c(c1)CCCN2C ZINC000746146678 575436138 /nfs/dbraw/zinc/43/61/38/575436138.db2.gz IZLKPLOTQDSPOM-UHFFFAOYSA-N 0 0 316.445 3.081 20 10 DGCDRN CCOc1ccc(N(CC)C[C@H](O)COc2ccccc2)cc1 ZINC000746159080 575436961 /nfs/dbraw/zinc/43/69/61/575436961.db2.gz NIXNFVUMBABTDU-KRWDZBQOSA-N 0 0 315.413 3.352 20 10 DGCDRN Nc1ccc(NC(=O)c2ccc(CN3CCCCC3=O)cc2)cc1 ZINC000746478731 575454645 /nfs/dbraw/zinc/45/46/45/575454645.db2.gz WRQRCJBPFINDLJ-UHFFFAOYSA-N 0 0 323.396 3.034 20 10 DGCDRN C[C@@H]1CCCC[C@H]1NC(=S)NCc1ccc(N(C)C)c(F)c1 ZINC000746685491 575470133 /nfs/dbraw/zinc/47/01/33/575470133.db2.gz QRBAJJVJCKIYEY-IUODEOHRSA-N 0 0 323.481 3.435 20 10 DGCDRN C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000746718435 575471841 /nfs/dbraw/zinc/47/18/41/575471841.db2.gz GTLQCNLCAAKVSK-IUODEOHRSA-N 0 0 307.413 3.270 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NCCOC(C)(C)C)cc1 ZINC000746726998 575472397 /nfs/dbraw/zinc/47/23/97/575472397.db2.gz HWFKUOVPFWEABH-UHFFFAOYSA-N 0 0 321.465 3.147 20 10 DGCDRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)C1=CC(=O)CS1 ZINC000746893570 575483016 /nfs/dbraw/zinc/48/30/16/575483016.db2.gz CMEHRMHHLJHYCC-CWKPULSASA-N 0 0 323.439 3.024 20 10 DGCDRN CCOc1ccc(N(CC)Cc2nc([C@@H](C)OC)no2)cc1 ZINC000747840313 575545508 /nfs/dbraw/zinc/54/55/08/575545508.db2.gz NMYCALVPMAIJRF-GFCCVEGCSA-N 0 0 305.378 3.202 20 10 DGCDRN CN1CCCc2cc(/C=C3\N=C(c4cccs4)OC3=O)ccc21 ZINC000748044551 575558268 /nfs/dbraw/zinc/55/82/68/575558268.db2.gz GEUTWRARSWRLRT-KAMYIIQDSA-N 0 0 324.405 3.475 20 10 DGCDRN CCOc1ccc(NC(=S)NCc2ccccc2O)cc1 ZINC000748157574 575565191 /nfs/dbraw/zinc/56/51/91/575565191.db2.gz MFPXPLGUKKHCSB-UHFFFAOYSA-N 0 0 302.399 3.278 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1cnc(-c2ccccc2)nc1 ZINC000748324316 575580748 /nfs/dbraw/zinc/58/07/48/575580748.db2.gz BAQYVQMCLPYDRE-UHFFFAOYSA-N 0 0 320.352 3.171 20 10 DGCDRN Cc1cc(C(=O)NCc2ccccc2O)c(C)n1-c1ccccn1 ZINC000748346504 575581652 /nfs/dbraw/zinc/58/16/52/575581652.db2.gz ZBPVSBOGJNZPEV-UHFFFAOYSA-N 0 0 321.380 3.125 20 10 DGCDRN COc1ccc2cc(C(=O)NCc3ccccc3O)c(C)nc2c1 ZINC000748349950 575582196 /nfs/dbraw/zinc/58/21/96/575582196.db2.gz NBKXRIVPPXLSGJ-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN O=C(Cc1csc(-c2ccccc2)n1)NCc1ccccc1O ZINC000748354272 575582829 /nfs/dbraw/zinc/58/28/29/575582829.db2.gz IBDIFQPOMJIARD-UHFFFAOYSA-N 0 0 324.405 3.375 20 10 DGCDRN O=C(NCc1ccccc1O)NC[C@@H]1CCCc2ccccc21 ZINC000748458755 575587950 /nfs/dbraw/zinc/58/79/50/575587950.db2.gz BONQHUARIKBUTO-HNNXBMFYSA-N 0 0 310.397 3.312 20 10 DGCDRN COc1ccc(NC(=O)NCc2ccccc2O)c2cccnc12 ZINC000748459315 575588030 /nfs/dbraw/zinc/58/80/30/575588030.db2.gz FUFSUGMFTODFOX-UHFFFAOYSA-N 0 0 323.352 3.271 20 10 DGCDRN CCc1nc2cc(NC(=O)NCc3ccccc3O)ccc2o1 ZINC000748459361 575588102 /nfs/dbraw/zinc/58/81/02/575588102.db2.gz GEYFDOYKBPQJDR-UHFFFAOYSA-N 0 0 311.341 3.418 20 10 DGCDRN O=C(NCCc1ccc(Cl)s1)NCc1ccccc1O ZINC000748461512 575588538 /nfs/dbraw/zinc/58/85/38/575588538.db2.gz MDYYUCSMIVBECU-UHFFFAOYSA-N 0 0 310.806 3.149 20 10 DGCDRN CC[C@@H](NC(=O)NCc1ccccc1O)c1ccccc1OC ZINC000748461499 575588604 /nfs/dbraw/zinc/58/86/04/575588604.db2.gz YOTSCFRBWPUKMQ-OAHLLOKOSA-N 0 0 314.385 3.351 20 10 DGCDRN C[C@H](Cc1ccccc1Cl)NC(=O)NCc1ccccc1O ZINC000748461634 575588700 /nfs/dbraw/zinc/58/87/00/575588700.db2.gz MVFCVFHETZKROJ-GFCCVEGCSA-N 0 0 318.804 3.476 20 10 DGCDRN Cc1cc(O)ccc1NS(=O)(=O)c1cccc2c1CCCC2 ZINC000748642306 575599420 /nfs/dbraw/zinc/59/94/20/575599420.db2.gz CJMXEFNZGKITCJ-UHFFFAOYSA-N 0 0 317.410 3.380 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCCSC2)cc1 ZINC000748961403 575618658 /nfs/dbraw/zinc/61/86/58/575618658.db2.gz SCWXZJPZORNJDX-OAHLLOKOSA-N 0 0 321.490 3.228 20 10 DGCDRN O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)C1=CC(=O)CS1 ZINC000751070247 575769988 /nfs/dbraw/zinc/76/99/88/575769988.db2.gz RCLTUXSXSNSSSS-LLVKDONJSA-N 0 0 322.817 3.116 20 10 DGCDRN CCCOc1ccc(CNC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000751535730 575789384 /nfs/dbraw/zinc/78/93/84/575789384.db2.gz TVHMHTRVHXZBSA-UHFFFAOYSA-N 0 0 315.369 3.125 20 10 DGCDRN Cc1ccc(C(=O)NCC(C)(C)c2ccccc2F)c(O)c1O ZINC000751539000 575789821 /nfs/dbraw/zinc/78/98/21/575789821.db2.gz XNPCADVPXIDBNC-UHFFFAOYSA-N 0 0 317.360 3.253 20 10 DGCDRN COc1ccc(N(C)CCc2ccc3c(c2)CCO3)c(OC)c1 ZINC000752124218 575824114 /nfs/dbraw/zinc/82/41/14/575824114.db2.gz YMSMEQQMISUIMK-UHFFFAOYSA-N 0 0 313.397 3.318 20 10 DGCDRN Cc1cccc(C(C)(C)CNC(=O)NCc2ccccc2O)c1 ZINC000726248754 576014535 /nfs/dbraw/zinc/01/45/35/576014535.db2.gz UDCMMVMIFPQJPL-UHFFFAOYSA-N 0 0 312.413 3.478 20 10 DGCDRN Cc1cc(C(=O)Nc2ccnn2C)c(C)n1-c1ccccc1C ZINC000726532541 576029620 /nfs/dbraw/zinc/02/96/20/576029620.db2.gz DPGDIXWSEBKUDO-UHFFFAOYSA-N 0 0 308.385 3.388 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)CCC(C)C)CC2)cc1 ZINC000726562533 576030893 /nfs/dbraw/zinc/03/08/93/576030893.db2.gz LZJYIXFHCAATQV-UHFFFAOYSA-N 0 0 304.434 3.216 20 10 DGCDRN CO[C@@H](C)CCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000726547694 576031265 /nfs/dbraw/zinc/03/12/65/576031265.db2.gz PBOTZWVFSRYFMA-ZDUSSCGKSA-N 0 0 318.392 3.388 20 10 DGCDRN Cc1ccc(C(=O)OCCO[C@H]2CCCC[C@H]2C)c(O)c1O ZINC000727004062 576093754 /nfs/dbraw/zinc/09/37/54/576093754.db2.gz MBUFOYVZWIXESH-RISCZKNCSA-N 0 0 308.374 3.158 20 10 DGCDRN CO[C@H](C)CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000749564376 576096736 /nfs/dbraw/zinc/09/67/36/576096736.db2.gz YUQRAZAACDSBDI-OAHLLOKOSA-N 0 0 304.434 3.060 20 10 DGCDRN S=C(NNc1ccccc1)Nc1ccc2c(c1)OCCCO2 ZINC000727268323 576116871 /nfs/dbraw/zinc/11/68/71/576116871.db2.gz GSRQKSRATFXZGQ-UHFFFAOYSA-N 0 0 315.398 3.161 20 10 DGCDRN CC[C@@H]1CCCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000727940143 576155405 /nfs/dbraw/zinc/15/54/05/576155405.db2.gz YQZAEZAYUUDABM-MRXNPFEDSA-N 0 0 301.434 3.371 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)C(C)=C(C)C)CC2)cc1 ZINC000751121047 576179070 /nfs/dbraw/zinc/17/90/70/576179070.db2.gz YEYHRESDAUDCAF-UHFFFAOYSA-N 0 0 302.418 3.137 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nc1n[nH]c(C)n1 ZINC000728703442 576196600 /nfs/dbraw/zinc/19/66/00/576196600.db2.gz USLLECDJAMFJHG-UHFFFAOYSA-N 0 0 309.373 3.081 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=S)NCc2cccs2)c1 ZINC000728793438 576204299 /nfs/dbraw/zinc/20/42/99/576204299.db2.gz SFAPTHMJXUWSCT-JTQLQIEISA-N 0 0 322.455 3.188 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=S)NCc2cccs2)c1 ZINC000728793439 576204933 /nfs/dbraw/zinc/20/49/33/576204933.db2.gz SFAPTHMJXUWSCT-SNVBAGLBSA-N 0 0 322.455 3.188 20 10 DGCDRN Cn1c2ccc(OC(=O)O[C@@H]3CCOC3)cc2c2c1CCCC2 ZINC000916629744 620639887 /nfs/dbraw/zinc/63/98/87/620639887.db2.gz ITPWEUNNYXQROQ-CYBMUJFWSA-N 0 0 315.369 3.361 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCCCc1ccco1 ZINC000852680264 620640593 /nfs/dbraw/zinc/64/05/93/620640593.db2.gz QENLIJFUCLAZEP-UHFFFAOYSA-N 0 0 315.417 3.086 20 10 DGCDRN Cc1nc(-c2ccccc2)[nH]c1C(=O)N(C)Cc1ccccc1O ZINC000917311236 620664358 /nfs/dbraw/zinc/66/43/58/620664358.db2.gz WPUCAXDZEJJHCV-UHFFFAOYSA-N 0 0 321.380 3.363 20 10 DGCDRN CN1CC(=O)N[C@@H]1c1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000917500320 620670987 /nfs/dbraw/zinc/67/09/87/620670987.db2.gz GCCIJYRBQLYDST-INIZCTEOSA-N 0 0 304.434 3.047 20 10 DGCDRN CCn1nccc1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000853239867 620680958 /nfs/dbraw/zinc/68/09/58/620680958.db2.gz JQEDYMDHZLYXHS-SNVBAGLBSA-N 0 0 313.323 3.478 20 10 DGCDRN Cc1ccc2c(c1)CN(C(=O)NCc1ccc(N(C)C)cc1)CC2 ZINC000853244856 620681738 /nfs/dbraw/zinc/68/17/38/620681738.db2.gz QDZKQLRZYQKCRG-UHFFFAOYSA-N 0 0 323.440 3.329 20 10 DGCDRN CCOC(=O)c1cnc(N[C@H](C)c2cc(OC)ccc2O)s1 ZINC000853269396 620683618 /nfs/dbraw/zinc/68/36/18/620683618.db2.gz PTOJBFBVDVALBF-SECBINFHSA-N 0 0 322.386 3.207 20 10 DGCDRN CN(C(=O)/C=C\c1cnc2ccccc2n1)c1ccc(F)cc1 ZINC000917778510 620683829 /nfs/dbraw/zinc/68/38/29/620683829.db2.gz XEVMHKZXOBIWRE-FLIBITNWSA-N 0 0 307.328 3.445 20 10 DGCDRN COC(=O)c1cnc(SCCOC2CCCCC2)s1 ZINC000917778376 620683897 /nfs/dbraw/zinc/68/38/97/620683897.db2.gz QZWBJWYFAXPFAY-UHFFFAOYSA-N 0 0 301.433 3.371 20 10 DGCDRN CC[C@H]1CCCN(C(=O)NCCCSc2nccs2)C1 ZINC000154609366 620693243 /nfs/dbraw/zinc/69/32/43/620693243.db2.gz SDWWCKIJCZCXPR-LBPRGKRZSA-N 0 0 313.492 3.457 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2[nH]nc3ccccc32)cc1 ZINC000918112570 620696802 /nfs/dbraw/zinc/69/68/02/620696802.db2.gz DDZPXHIRXFCGIK-UHFFFAOYSA-N 0 0 322.412 3.339 20 10 DGCDRN Cc1cc(N[C@H](C)Cc2ccc(O)c(O)c2)c([N+](=O)[O-])s1 ZINC000853473028 620698732 /nfs/dbraw/zinc/69/87/32/620698732.db2.gz JRSBVSJGWMSTGC-MRVPVSSYSA-N 0 0 308.359 3.419 20 10 DGCDRN COc1ccc(N(CC(C)C)C(=O)/C=C\c2cnccn2)cc1 ZINC000918156247 620699684 /nfs/dbraw/zinc/69/96/84/620699684.db2.gz OQIHRUAOFZNBQH-WTKPLQERSA-N 0 0 311.385 3.188 20 10 DGCDRN COC(=O)Cc1ccnc(N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000853484887 620700268 /nfs/dbraw/zinc/70/02/68/620700268.db2.gz WXRJMHJSLZHTIF-CYBMUJFWSA-N 0 0 313.401 3.036 20 10 DGCDRN CCn1nccc1CN1CCCc2cc(OC(F)F)ccc21 ZINC000184748376 660184364 /nfs/dbraw/zinc/18/43/64/660184364.db2.gz MMGVOTZVDICKKJ-UHFFFAOYSA-N 0 0 307.344 3.457 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Cn2ccc3ccccc32)cc1 ZINC000918280526 620703387 /nfs/dbraw/zinc/70/33/87/620703387.db2.gz YUSKWKXSXFJWJH-UHFFFAOYSA-N 0 0 307.397 3.024 20 10 DGCDRN CCCC[C@@H](Sc1ncc(C(=O)OCC)s1)C(=O)OC ZINC000853560290 620709706 /nfs/dbraw/zinc/70/97/06/620709706.db2.gz SSRRZMHCTKMNST-SECBINFHSA-N 0 0 317.432 3.144 20 10 DGCDRN COC(=O)/C=C/c1ccc(N(C)Cc2ccoc2)c([N+](=O)[O-])c1 ZINC000918735638 620722876 /nfs/dbraw/zinc/72/28/76/620722876.db2.gz KXWWIMMXYVSBQM-GQCTYLIASA-N 0 0 316.313 3.010 20 10 DGCDRN COc1ccc(N2CC[C@H](Nc3nc4ccccc4[nH]3)C2)cc1 ZINC000853758904 620734411 /nfs/dbraw/zinc/73/44/11/620734411.db2.gz MKLBQWDBUDRUDZ-ZDUSSCGKSA-N 0 0 308.385 3.262 20 10 DGCDRN COc1ccc(N2CC[C@@H](Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000853758716 620734495 /nfs/dbraw/zinc/73/44/95/620734495.db2.gz JREGKOQZMYXUNA-CYBMUJFWSA-N 0 0 313.357 3.294 20 10 DGCDRN COc1ccc(N2CC[C@H](Nc3ccnc(Cl)c3)C2)cc1 ZINC000853758377 620734319 /nfs/dbraw/zinc/73/43/19/620734319.db2.gz DEMDBEBXOALVGB-ZDUSSCGKSA-N 0 0 303.793 3.434 20 10 DGCDRN CCCc1nsc(N[C@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000853760613 620735042 /nfs/dbraw/zinc/73/50/42/620735042.db2.gz LGUVXBWBPVLLPW-LBPRGKRZSA-N 0 0 318.446 3.190 20 10 DGCDRN CCC(=O)[C@@H](C)OC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000919076407 620735744 /nfs/dbraw/zinc/73/57/44/620735744.db2.gz HZKGTWCQIWVMOB-CYBMUJFWSA-N 0 0 300.358 3.014 20 10 DGCDRN CC[C@@H](C(=O)NCc1cccc(Cl)c1O)c1c(C)noc1C ZINC000890757479 617655800 /nfs/dbraw/zinc/65/58/00/617655800.db2.gz FFBVOQMABKUFTP-GFCCVEGCSA-N 0 0 322.792 3.460 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)C1CCC(F)(F)CC1 ZINC000890760712 617657162 /nfs/dbraw/zinc/65/71/62/617657162.db2.gz XGJZLVXEHARVSR-UHFFFAOYSA-N 0 0 303.736 3.487 20 10 DGCDRN CC(C)(C)c1nc(C(=O)NCc2cccc(Cl)c2O)co1 ZINC000890763146 617658505 /nfs/dbraw/zinc/65/85/05/617658505.db2.gz PCXXOIMJTQJHKQ-UHFFFAOYSA-N 0 0 308.765 3.261 20 10 DGCDRN CCO[C@H](C(=O)NCc1cccc(Cl)c1O)C1CCCC1 ZINC000890763359 617659175 /nfs/dbraw/zinc/65/91/75/617659175.db2.gz UBVRMZFDGDNLNF-HNNXBMFYSA-N 0 0 311.809 3.257 20 10 DGCDRN CC(C)[C@@H](C)C(=O)NCc1cc(Br)ccc1O ZINC000804735825 617661948 /nfs/dbraw/zinc/66/19/48/617661948.db2.gz GHEGYCMJBHEMAX-SECBINFHSA-N 0 0 300.196 3.063 20 10 DGCDRN CCC(CC)C(=O)NCc1cc(Br)ccc1O ZINC000804735389 617662080 /nfs/dbraw/zinc/66/20/80/617662080.db2.gz WUPPZDURIUNCCR-UHFFFAOYSA-N 0 0 300.196 3.207 20 10 DGCDRN O=C(NCc1cc(Br)ccc1O)c1ccccc1F ZINC000804737990 617662544 /nfs/dbraw/zinc/66/25/44/617662544.db2.gz YBYQTRXTNDKHQO-UHFFFAOYSA-N 0 0 324.149 3.224 20 10 DGCDRN CC(C)[C@H]1C[C@H]1C(=O)NCc1cc(Br)ccc1O ZINC000804738642 617662549 /nfs/dbraw/zinc/66/25/49/617662549.db2.gz YFDKQPUXFYTRNL-VXGBXAGGSA-N 0 0 312.207 3.063 20 10 DGCDRN Cc1nc(C)c(C)c(NCc2cc(Br)ccc2O)n1 ZINC000804828662 617680711 /nfs/dbraw/zinc/68/07/11/617680711.db2.gz VQOLXGOSDAWFPR-UHFFFAOYSA-N 0 0 322.206 3.482 20 10 DGCDRN CN(C)c1ccc(CN(C)Cc2nccn2C(F)F)cc1F ZINC000154988933 620751451 /nfs/dbraw/zinc/75/14/51/620751451.db2.gz NTRHDPFDRJMYKW-UHFFFAOYSA-N 0 0 312.339 3.115 20 10 DGCDRN Cc1cc(CC(=O)OCCC[C@H](C)O)c(C)n1-c1ccccc1 ZINC000853935356 620754565 /nfs/dbraw/zinc/75/45/65/620754565.db2.gz YXNIUGNQTJNGPO-HNNXBMFYSA-N 0 0 315.413 3.341 20 10 DGCDRN OC1CCN(c2ccc(CNc3nc4ccccc4o3)cc2)CC1 ZINC000853954573 620756664 /nfs/dbraw/zinc/75/66/64/620756664.db2.gz KHSNPWKZXWNDLG-UHFFFAOYSA-N 0 0 323.396 3.401 20 10 DGCDRN COCC1(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCCC1 ZINC000854005036 620761188 /nfs/dbraw/zinc/76/11/88/620761188.db2.gz YKKMHUPFNBFHNF-CQSZACIVSA-N 0 0 319.449 3.072 20 10 DGCDRN CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000840540684 618001311 /nfs/dbraw/zinc/00/13/11/618001311.db2.gz WFUOMFFEKXQOMA-OJYSIEITSA-N 0 0 303.402 3.442 20 10 DGCDRN C[C@H](NCc1nccc(C(F)(F)F)n1)c1ccc(F)cc1O ZINC000840869644 618041812 /nfs/dbraw/zinc/04/18/12/618041812.db2.gz NIXHURPUZBDYMK-QMMMGPOBSA-N 0 0 315.270 3.191 20 10 DGCDRN O=C(NCC[C@@H]1CNc2ccccc21)N1Cc2cccc(O)c2C1 ZINC000892361990 618042695 /nfs/dbraw/zinc/04/26/95/618042695.db2.gz GGSDQIXAJJEIKF-CYBMUJFWSA-N 0 0 323.396 3.017 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCC2CC=CC2)c1 ZINC000926710316 618093817 /nfs/dbraw/zinc/09/38/17/618093817.db2.gz IWRDNVPDKHFSKB-LBPRGKRZSA-N 0 0 304.390 3.117 20 10 DGCDRN CC[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000840881653 618107344 /nfs/dbraw/zinc/10/73/44/618107344.db2.gz PHIJIAKMYLBVJQ-DYVFJYSZSA-N 0 0 321.367 3.487 20 10 DGCDRN CC(=O)c1c(F)cncc1NCc1ccc(N(C)C)cc1C ZINC000892563936 618109312 /nfs/dbraw/zinc/10/93/12/618109312.db2.gz IUNUEOFUHTXNFT-UHFFFAOYSA-N 0 0 301.365 3.410 20 10 DGCDRN CCn1cc(C=C2SC(Nc3ccccc3C)=NC2=O)cn1 ZINC000111998292 620779301 /nfs/dbraw/zinc/77/93/01/620779301.db2.gz PVYVDKUYWMCWLS-ZSOIEALJSA-N 0 0 312.398 3.294 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CNCC[C@@H]1c1ccccc1)c1ccc(F)cc1[O-] ZINC000854222708 620785957 /nfs/dbraw/zinc/78/59/57/620785957.db2.gz KBTPQESXOYLOFD-FSPWUOQZSA-N 0 0 314.404 3.328 20 10 DGCDRN CCCC(C)(C)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854300883 620792553 /nfs/dbraw/zinc/79/25/53/620792553.db2.gz CLKJDLXNHVQIGZ-AWEZNQCLSA-N 0 0 319.449 3.152 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)C2CC3(CC3(F)F)C2)cc1 ZINC000854324872 620795261 /nfs/dbraw/zinc/79/52/61/620795261.db2.gz RYKUORJURNQUDX-UHFFFAOYSA-N 0 0 308.372 3.146 20 10 DGCDRN COc1ccc(CNC2(C(F)F)CCCC2)c(O)c1OC ZINC000894527630 618371050 /nfs/dbraw/zinc/37/10/50/618371050.db2.gz ZSVDRWWFVBCXOA-UHFFFAOYSA-N 0 0 301.333 3.077 20 10 DGCDRN COC(=O)c1cc(CN(C)c2ccc(OC)c(OC)c2)oc1C ZINC000920418349 620800294 /nfs/dbraw/zinc/80/02/94/620800294.db2.gz MBXYQIXTIQZIIG-UHFFFAOYSA-N 0 0 319.357 3.028 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1cn2c(n1)CCCC2 ZINC000925077443 618418322 /nfs/dbraw/zinc/41/83/22/618418322.db2.gz ALWWGJVMEFFELO-HNNXBMFYSA-N 0 0 312.461 3.445 20 10 DGCDRN O=C(NCc1cc(Br)ccc1O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000854442933 620804654 /nfs/dbraw/zinc/80/46/54/620804654.db2.gz ZJCJFIOQJKLGJK-WQAKAFBOSA-N 0 0 324.218 3.207 20 10 DGCDRN CSCC(C)(C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000893133931 618441212 /nfs/dbraw/zinc/44/12/12/618441212.db2.gz DOTDGRXYVGFWTE-UHFFFAOYSA-N 0 0 319.474 3.004 20 10 DGCDRN COc1ccc(CNc2cnccc2SC)c(O)c1OC ZINC000893196489 618472000 /nfs/dbraw/zinc/47/20/00/618472000.db2.gz BGKXLOHAKJBEOQ-UHFFFAOYSA-N 0 0 306.387 3.138 20 10 DGCDRN COc1ccc(F)cc1NCc1ccc(OC)c(OC)c1O ZINC000893225056 618481442 /nfs/dbraw/zinc/48/14/42/618481442.db2.gz IWIGHSFHGGGNTI-UHFFFAOYSA-N 0 0 307.321 3.169 20 10 DGCDRN COC(C)(C)C[C@@H](C)NC(=O)NCc1cccc(Cl)c1O ZINC000893251929 618486880 /nfs/dbraw/zinc/48/68/80/618486880.db2.gz UTRHLDRPWQXIPM-SNVBAGLBSA-N 0 0 314.813 3.048 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1nccn1C1CC1 ZINC000894939157 618502325 /nfs/dbraw/zinc/50/23/25/618502325.db2.gz IOILDXZZMWAAMG-HNNXBMFYSA-N 0 0 312.461 3.313 20 10 DGCDRN Cc1cc(O)c(CN(C)[C@@H](c2nc[nH]n2)c2ccccc2)cc1C ZINC000894958961 618502638 /nfs/dbraw/zinc/50/26/38/618502638.db2.gz GVQNMDGHZYDMNQ-GOSISDBHSA-N 0 0 322.412 3.349 20 10 DGCDRN CC(C)[C@H]1[N@H+](Cc2cc(F)cc(F)c2[O-])CC12CCOCC2 ZINC000894999572 618510214 /nfs/dbraw/zinc/51/02/14/618510214.db2.gz UXQSXKRBHGSKSF-MRXNPFEDSA-N 0 0 311.372 3.307 20 10 DGCDRN C[N@H+](Cc1cc(F)cc(F)c1[O-])C[C@@](C)(O)c1ccccc1 ZINC000895055929 618520984 /nfs/dbraw/zinc/52/09/84/618520984.db2.gz ZJHBZGIAPSQDOE-QGZVFWFLSA-N 0 0 307.340 3.010 20 10 DGCDRN CCNC(=O)c1ccc(NCc2cc(C)cc(OC)c2O)cc1 ZINC000895089088 618534831 /nfs/dbraw/zinc/53/48/31/618534831.db2.gz QLWAECXJNUWELV-UHFFFAOYSA-N 0 0 314.385 3.071 20 10 DGCDRN CCN(C(=O)C1=CC(=O)CS1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000854564439 620818023 /nfs/dbraw/zinc/81/80/23/620818023.db2.gz YMTGQOUMTHNNAO-IAQYHMDHSA-N 0 0 305.399 3.038 20 10 DGCDRN COc1ccc(CN2C[C@@H](C)Oc3ccccc32)c(O)c1OC ZINC000893613985 618616779 /nfs/dbraw/zinc/61/67/79/618616779.db2.gz IXSQJRVKMHEULZ-GFCCVEGCSA-N 0 0 315.369 3.197 20 10 DGCDRN COc1cc(C)cc(CN2CCOC[C@@H]2c2ccc(C)o2)c1O ZINC000894033014 618695955 /nfs/dbraw/zinc/69/59/55/618695955.db2.gz WKCYLXXQFHAASK-OAHLLOKOSA-N 0 0 317.385 3.184 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)C(F)F)ccc21 ZINC000894049387 618699442 /nfs/dbraw/zinc/69/94/42/618699442.db2.gz IMJIJRQLCCMTLC-LLVKDONJSA-N 0 0 324.371 3.288 20 10 DGCDRN CCOCc1nc(C)cc(NCc2ccc3cccnc3c2O)n1 ZINC000894257441 618741728 /nfs/dbraw/zinc/74/17/28/618741728.db2.gz RNSCUVYCHJWWJA-UHFFFAOYSA-N 0 0 324.384 3.187 20 10 DGCDRN Cc1ccc(C2=NO[C@@H](C[NH2+]Cc3ccccc3O)C2)cc1C ZINC000895499886 618793361 /nfs/dbraw/zinc/79/33/61/618793361.db2.gz ZUBYJDSZUSYPAQ-QGZVFWFLSA-N 0 0 310.397 3.292 20 10 DGCDRN C[C@]12CCN(C(=O)Nc3ccc(N)cc3)C[C@H]1C2(Cl)Cl ZINC000841299810 618794127 /nfs/dbraw/zinc/79/41/27/618794127.db2.gz OOBSZPUYJBZUOH-YPMHNXCESA-N 0 0 314.216 3.316 20 10 DGCDRN Cc1cccc(O)c1CNc1cccc([C@]2(C)COC(=O)N2)c1 ZINC000895637317 618810685 /nfs/dbraw/zinc/81/06/85/618810685.db2.gz IGFFCXOEGUJAOQ-SFHVURJKSA-N 0 0 312.369 3.268 20 10 DGCDRN C[C@@]1(CCNC(=O)NCc2cccc(Cl)c2O)CC1(F)F ZINC000895795128 618832782 /nfs/dbraw/zinc/83/27/82/618832782.db2.gz CAXVOXWOZYVEOD-CYBMUJFWSA-N 0 0 318.751 3.280 20 10 DGCDRN Cc1ccc(C[NH2+]CC[C@H]2CCC3(CCOCC3)CO2)c(O)c1 ZINC000895799041 618833208 /nfs/dbraw/zinc/83/32/08/618833208.db2.gz GEABNKDBRICBAQ-QGZVFWFLSA-N 0 0 319.445 3.156 20 10 DGCDRN CCC1([NH+]2CCC2)CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000895821092 618835819 /nfs/dbraw/zinc/83/58/19/618835819.db2.gz BRMBRLAEYBDXBX-UHFFFAOYSA-N 0 0 310.388 3.121 20 10 DGCDRN CCOC(=O)[C@@](C)(NCc1cccc(C)c1O)c1ccccc1 ZINC000895895164 618845522 /nfs/dbraw/zinc/84/55/22/618845522.db2.gz UZCNAFQNAAUREW-IBGZPJMESA-N 0 0 313.397 3.269 20 10 DGCDRN Cn1ccc(C2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)n1 ZINC000896497160 618920982 /nfs/dbraw/zinc/92/09/82/618920982.db2.gz ZMZGTGRXSLKWJP-UHFFFAOYSA-N 0 0 305.809 3.159 20 10 DGCDRN Cc1nn(C(C)(C)C)c(C)c1C[NH2+]Cc1c([O-])cccc1F ZINC000896639764 618939683 /nfs/dbraw/zinc/93/96/83/618939683.db2.gz GGRJHKUMYDZPKX-UHFFFAOYSA-N 0 0 305.397 3.389 20 10 DGCDRN Cc1cnc(CNC(=O)NCc2cccc(Cl)c2O)c(C)c1 ZINC000896678210 618945258 /nfs/dbraw/zinc/94/52/58/618945258.db2.gz ZJJGFXFFVOIUIC-UHFFFAOYSA-N 0 0 319.792 3.057 20 10 DGCDRN [O-]c1c(C[NH2+]Cc2nc3c(s2)CCCC3)ccc(F)c1F ZINC000896822412 618966185 /nfs/dbraw/zinc/96/61/85/618966185.db2.gz LBNQOKUWIDPINS-UHFFFAOYSA-N 0 0 310.369 3.296 20 10 DGCDRN O=C(c1cc2cc(O)c(O)cc2s1)N(CC(F)F)C1CC1 ZINC000897074866 619009886 /nfs/dbraw/zinc/00/98/86/619009886.db2.gz ODJPKJGKYFUCBN-UHFFFAOYSA-N 0 0 313.325 3.182 20 10 DGCDRN CC(C)[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1cnn(C)c1 ZINC000897081573 619012264 /nfs/dbraw/zinc/01/22/64/619012264.db2.gz PMOPJQPCVCMUCO-HNNXBMFYSA-N 0 0 311.788 3.405 20 10 DGCDRN CC[C@@H](CNC(=O)c1ccc(C)c(O)c1O)CC(F)(F)F ZINC000840514443 619014300 /nfs/dbraw/zinc/01/43/00/619014300.db2.gz IZEYKFFDHLZNMK-SECBINFHSA-N 0 0 305.296 3.115 20 10 DGCDRN COc1ccc(CNc2ccc3c(c2)C[C@@H](C)O3)c(O)c1OC ZINC000897110285 619018763 /nfs/dbraw/zinc/01/87/63/619018763.db2.gz RJPIEZZQLWTZNX-LLVKDONJSA-N 0 0 315.369 3.345 20 10 DGCDRN CC[C@H](CSC)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897307060 619050817 /nfs/dbraw/zinc/05/08/17/619050817.db2.gz GUICBRZJNALFSV-SECBINFHSA-N 0 0 311.428 3.184 20 10 DGCDRN CSC1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCC1 ZINC000897597319 619164356 /nfs/dbraw/zinc/16/43/56/619164356.db2.gz HWNKXEPCWDQPPS-UHFFFAOYSA-N 0 0 323.439 3.328 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1cccc(Cl)c1[O-] ZINC000841763020 619166447 /nfs/dbraw/zinc/16/64/47/619166447.db2.gz TUQFCZOXWIRHNU-MFKMUULPSA-N 0 0 318.795 3.426 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCCc2ccccc2C1 ZINC000897616709 619167834 /nfs/dbraw/zinc/16/78/34/619167834.db2.gz WSEQMBLXHCYPQW-GOSISDBHSA-N 0 0 324.424 3.481 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCCC3(CC3)C2)c1 ZINC000897783723 619182578 /nfs/dbraw/zinc/18/25/78/619182578.db2.gz HXPNXQOGJAMLKP-QWHCGFSZSA-N 0 0 318.417 3.484 20 10 DGCDRN COC1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCCC1 ZINC000897864769 619189309 /nfs/dbraw/zinc/18/93/09/619189309.db2.gz BGLNVJJOXWXPTJ-UHFFFAOYSA-N 0 0 321.398 3.002 20 10 DGCDRN CCOc1ccc(O)c(CNCc2nc(C(C)(C)C)co2)c1 ZINC000897945146 619197605 /nfs/dbraw/zinc/19/76/05/619197605.db2.gz UZYWUUPXMQJOMX-UHFFFAOYSA-N 0 0 304.390 3.366 20 10 DGCDRN O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc2cc(O)c(O)cc2s1 ZINC000898106436 619217790 /nfs/dbraw/zinc/21/77/90/619217790.db2.gz NSIQRGAVESJRSP-FXPVBKGRSA-N 0 0 303.383 3.231 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cnn(CC2CCC2)c1 ZINC000898177129 619223127 /nfs/dbraw/zinc/22/31/27/619223127.db2.gz LLZCQUQTJJQPNI-AWEZNQCLSA-N 0 0 311.429 3.469 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1CCOC2(CCC2)C1 ZINC000898277299 619231553 /nfs/dbraw/zinc/23/15/53/619231553.db2.gz MCKSOFJHMFHDEY-NSHDSACASA-N 0 0 309.793 3.011 20 10 DGCDRN CC[C@@H]([NH2+]CCc1cc(C)n(C)n1)c1cccc(Cl)c1[O-] ZINC000926912182 619247659 /nfs/dbraw/zinc/24/76/59/619247659.db2.gz UJUZMVFZVIHOKC-OAHLLOKOSA-N 0 0 307.825 3.371 20 10 DGCDRN CC[C@H]([NH2+]CCc1cc(C)n(C)n1)c1cccc(Cl)c1[O-] ZINC000926912181 619247730 /nfs/dbraw/zinc/24/77/30/619247730.db2.gz UJUZMVFZVIHOKC-HNNXBMFYSA-N 0 0 307.825 3.371 20 10 DGCDRN CCOCCOCC[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000927087227 619264207 /nfs/dbraw/zinc/26/42/07/619264207.db2.gz OVHQWMIZNNPISX-AWEZNQCLSA-N 0 0 301.814 3.139 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1NCCc2ccccc21 ZINC000841068859 619265550 /nfs/dbraw/zinc/26/55/50/619265550.db2.gz JCINWPPMTZDZGK-MRXNPFEDSA-N 0 0 302.805 3.022 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000898511639 619281726 /nfs/dbraw/zinc/28/17/26/619281726.db2.gz CZUGGZJAAHAJSD-CHWSQXEVSA-N 0 0 311.372 3.309 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000898511641 619282015 /nfs/dbraw/zinc/28/20/15/619282015.db2.gz CZUGGZJAAHAJSD-QWHCGFSZSA-N 0 0 311.372 3.309 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CC=CC[C@H]2C)c1 ZINC000898890963 619297612 /nfs/dbraw/zinc/29/76/12/619297612.db2.gz JZULXJRCIQPJQR-LALPHHSUSA-N 0 0 304.390 3.116 20 10 DGCDRN O=C1/C(=C\c2cn3ccnc3s2)SC(=S)N1C1CCC1 ZINC000899260365 619323679 /nfs/dbraw/zinc/32/36/79/619323679.db2.gz DLWYPJLUVUGPOG-UXBLZVDNSA-N 0 0 321.452 3.150 20 10 DGCDRN C[C@@H]1CCC[C@@H](Cn2cc(COc3ccc(N)cc3)nn2)C1 ZINC000881326148 625334962 /nfs/dbraw/zinc/33/49/62/625334962.db2.gz XUSRELDOFTVWGS-ZIAGYGMSSA-N 0 0 300.406 3.266 20 10 DGCDRN C[C@H]1C[C@@H](NC(=O)NCc2cc(Cl)ccc2O)CCS1 ZINC000927229551 619370048 /nfs/dbraw/zinc/37/00/48/619370048.db2.gz AITZTVILHAMNEJ-CABZTGNLSA-N 0 0 314.838 3.129 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(C)[nH]nc1Cl ZINC000900400349 619426510 /nfs/dbraw/zinc/42/65/10/619426510.db2.gz MMEDYRLVGJTLMH-UHFFFAOYSA-N 0 0 320.824 3.100 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(C)(C)c1nccs1 ZINC000900732804 619447983 /nfs/dbraw/zinc/44/79/83/619447983.db2.gz NKKFEOQLELEQQM-UHFFFAOYSA-N 0 0 317.458 3.112 20 10 DGCDRN Fc1ncc(NCc2ccc(N3CCOCC3)cc2)cc1Cl ZINC000902277432 619614044 /nfs/dbraw/zinc/61/40/44/619614044.db2.gz JEEHEALARQXKCJ-UHFFFAOYSA-N 0 0 321.783 3.323 20 10 DGCDRN CCn1cnc2c1CCN(Cc1cc3c(cc1O)CCCC3)C2 ZINC000902551097 619654409 /nfs/dbraw/zinc/65/44/09/619654409.db2.gz OJLGTXXDONXLRY-UHFFFAOYSA-N 0 0 311.429 3.046 20 10 DGCDRN CCN(C(=O)C[NH2+][C@H](C)c1c([O-])cccc1F)c1ccccc1 ZINC000903194561 619733951 /nfs/dbraw/zinc/73/39/51/619733951.db2.gz FFPNTNIROSKJIS-CYBMUJFWSA-N 0 0 316.376 3.235 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cnn(CCF)c1)c1ccc(N(C)C)cc1 ZINC000903273680 619750577 /nfs/dbraw/zinc/75/05/77/619750577.db2.gz FJAXNGYKHXGSSU-QGZVFWFLSA-N 0 0 304.413 3.160 20 10 DGCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cnn(CCF)c2)c2c1c(F)ccc2O ZINC000903274429 619750585 /nfs/dbraw/zinc/75/05/85/619750585.db2.gz MBTVXDJQHPNGBZ-ZWNOBZJWSA-N 0 0 307.344 3.035 20 10 DGCDRN CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000903296805 619752695 /nfs/dbraw/zinc/75/26/95/619752695.db2.gz NNBHDDNLINBNJC-REAQECSSSA-N 0 0 320.216 3.154 20 10 DGCDRN CC[C@@H]([NH2+][C@@H]1CCCN(CC)C1=O)c1cccc(Cl)c1[O-] ZINC000903388226 619770172 /nfs/dbraw/zinc/77/01/72/619770172.db2.gz LYQLPJZYPUJOLT-ZIAGYGMSSA-N 0 0 310.825 3.097 20 10 DGCDRN C[C@H]([NH2+][C@H]1COC[C@@H]1C1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000903438368 619775197 /nfs/dbraw/zinc/77/51/97/619775197.db2.gz UMNSQAUVHVLQKP-BHYNMZESSA-N 0 0 315.335 3.487 20 10 DGCDRN CSC1CCC(CNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000927387110 619827004 /nfs/dbraw/zinc/82/70/04/619827004.db2.gz ZBYUDQNYTGGDFE-WEVVVXLNSA-N 0 0 321.442 3.149 20 10 DGCDRN C[C@@H](NC(=O)c1cnc(CC2CC2)s1)c1ccccc1O ZINC000881441209 625374632 /nfs/dbraw/zinc/37/46/32/625374632.db2.gz UBDPBWVIBONTJQ-SNVBAGLBSA-N 0 0 302.399 3.292 20 10 DGCDRN C[C@@H](NC(=O)[C@]1(C)OCCc2ccccc21)c1ccccc1O ZINC000881440871 625375138 /nfs/dbraw/zinc/37/51/38/625375138.db2.gz PLPWXLFHFMCJHC-BFUOFWGJSA-N 0 0 311.381 3.058 20 10 DGCDRN Cc1nc(NC2CC2)sc1C(=O)N[C@@H](C)c1ccccc1O ZINC000881440630 625375162 /nfs/dbraw/zinc/37/51/62/625375162.db2.gz IRUVOOPZDHGNKH-VIFPVBQESA-N 0 0 317.414 3.222 20 10 DGCDRN CC(C)(C)c1ccc(NC(=O)NCCc2ccc(N)cc2)cn1 ZINC000904564693 619933071 /nfs/dbraw/zinc/93/30/71/619933071.db2.gz RQLUDHZSAWTESZ-UHFFFAOYSA-N 0 0 312.417 3.326 20 10 DGCDRN COC(=O)c1cnc(SC[C@H](O)c2cccc(C)c2)s1 ZINC000905954390 620047024 /nfs/dbraw/zinc/04/70/24/620047024.db2.gz AZNUAVLKRFLBTF-NSHDSACASA-N 0 0 309.412 3.064 20 10 DGCDRN CN(Cc1cn(C2CC2)nn1)c1ccc(-c2nccs2)cc1 ZINC000906308432 620084102 /nfs/dbraw/zinc/08/41/02/620084102.db2.gz UPXSNEKNAQERNP-UHFFFAOYSA-N 0 0 311.414 3.373 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC(C)(C)CC(F)F ZINC000907275000 620146492 /nfs/dbraw/zinc/14/64/92/620146492.db2.gz UPADKDCQLIXQKN-JTQLQIEISA-N 0 0 315.360 3.217 20 10 DGCDRN O=C(C[C@@H]1CCCc2ccccc21)NCc1ccc(O)cc1O ZINC000910954153 620318646 /nfs/dbraw/zinc/31/86/46/620318646.db2.gz IIFUGLMPEKRUQI-AWEZNQCLSA-N 0 0 311.381 3.224 20 10 DGCDRN CC[C@H]1CCc2[nH]c(=O)c(C(=O)Nc3ccc(N)cc3)cc2C1 ZINC000911660560 620339477 /nfs/dbraw/zinc/33/94/77/620339477.db2.gz KSCNERKBFNVRKF-NSHDSACASA-N 0 0 311.385 3.137 20 10 DGCDRN Cc1ccc(C(=O)N2CC3(CCC3)[C@H]2c2cccnc2)c(O)c1O ZINC000912040809 620361904 /nfs/dbraw/zinc/36/19/04/620361904.db2.gz JHAOBSCWLRLOFV-QGZVFWFLSA-N 0 0 324.380 3.169 20 10 DGCDRN Cc1cc(C(=O)Cn2cc([N+](=O)[O-])cn2)c(C)n1-c1ccccc1 ZINC000912771846 620405691 /nfs/dbraw/zinc/40/56/91/620405691.db2.gz WXTIEEGYNPCTLT-UHFFFAOYSA-N 0 0 324.340 3.082 20 10 DGCDRN C[C@@H](NC(=O)c1cn(C)nc1C1CCCC1)c1ccccc1O ZINC000913763918 620477939 /nfs/dbraw/zinc/47/79/39/620477939.db2.gz VSJIRBVYZHFJIS-GFCCVEGCSA-N 0 0 313.401 3.274 20 10 DGCDRN C[C@H](CC(=O)NCCc1ccc(N)cc1)c1ccccc1F ZINC000152587860 620513667 /nfs/dbraw/zinc/51/36/67/620513667.db2.gz HRAAZQPQPPDSJN-CYBMUJFWSA-N 0 0 300.377 3.260 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2cc(C)cc(F)c2)c1 ZINC000152736759 620520085 /nfs/dbraw/zinc/52/00/85/620520085.db2.gz BXKWBPBUAAQPAQ-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN Cc1ccc([C@@H](C)NC(=O)NCc2c(O)cccc2F)s1 ZINC000914330929 620520773 /nfs/dbraw/zinc/52/07/73/620520773.db2.gz GNQUQKUHOQXMSO-SNVBAGLBSA-N 0 0 308.378 3.462 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(F)c(F)c1 ZINC000152981861 620530440 /nfs/dbraw/zinc/53/04/40/620530440.db2.gz ANTOGGKWPOUONV-VIFPVBQESA-N 0 0 322.311 3.129 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@@H]1CCSC2(CCC2)C1 ZINC000915525823 620588758 /nfs/dbraw/zinc/58/87/58/620588758.db2.gz SNGGHUODPZLVKH-CYBMUJFWSA-N 0 0 306.431 3.010 20 10 DGCDRN CCCOc1cccc(C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000916040983 620615270 /nfs/dbraw/zinc/61/52/70/620615270.db2.gz LKPYLJBIOYUBLR-UHFFFAOYSA-N 0 0 312.413 3.471 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H](C)C[C@H](C)O ZINC000153858695 620618420 /nfs/dbraw/zinc/61/84/20/620618420.db2.gz HRJYCMFQSBNPMT-RISCZKNCSA-N 0 0 320.458 3.292 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCCC2CCC2)c1 ZINC000852584956 620631877 /nfs/dbraw/zinc/63/18/77/620631877.db2.gz VLQGVDFBVQPKKB-GFCCVEGCSA-N 0 0 306.406 3.341 20 10 DGCDRN CC[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)C1CC1 ZINC000852595534 620632822 /nfs/dbraw/zinc/63/28/22/620632822.db2.gz IBLVEPJVBZVXDJ-INIZCTEOSA-N 0 0 301.434 3.057 20 10 DGCDRN Cc1cc(CC(=O)NCC(C)(F)F)c(C)n1-c1ccccc1 ZINC000854658702 620826749 /nfs/dbraw/zinc/82/67/49/620826749.db2.gz IRDUWWDDAUFERZ-UHFFFAOYSA-N 0 0 306.356 3.408 20 10 DGCDRN CCN(CC(=O)NCCC(C)(C)C)c1ccc(OC)c(OC)c1 ZINC000921061400 620835941 /nfs/dbraw/zinc/83/59/41/620835941.db2.gz DXFZEPQSXRCWPT-UHFFFAOYSA-N 0 0 322.449 3.083 20 10 DGCDRN O=C1NC(=S)S/C1=C\c1cc(C(F)(F)F)ccc1F ZINC000113006439 620870727 /nfs/dbraw/zinc/87/07/27/620870727.db2.gz HKUFAQZZHBRPMH-YWEYNIOJSA-N 0 0 307.293 3.333 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCC[C@H]3C)C2)cc1 ZINC000855225055 620881969 /nfs/dbraw/zinc/88/19/69/620881969.db2.gz NMEUQWZOLGGRKL-RVKKMQEKSA-N 0 0 316.445 3.216 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)/C=C3\CC[C@@H](C)C3)C2)cc1 ZINC000855233611 620882401 /nfs/dbraw/zinc/88/24/01/620882401.db2.gz JAJPQWCZCVUXFT-OVRLFXSLSA-N 0 0 314.429 3.137 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cccc(C)c3)C2)cc1 ZINC000855234667 620882826 /nfs/dbraw/zinc/88/28/26/620882826.db2.gz IMKAKYACGZEUHP-MRXNPFEDSA-N 0 0 310.397 3.012 20 10 DGCDRN CCCC1(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCC1 ZINC000855234126 620882862 /nfs/dbraw/zinc/88/28/62/620882862.db2.gz SQDUBNDRIFORDN-HNNXBMFYSA-N 0 0 316.445 3.361 20 10 DGCDRN CC1(C)CN(C(=O)C2=CC(=O)CS2)CCc2ccccc21 ZINC000855348823 620893185 /nfs/dbraw/zinc/89/31/85/620893185.db2.gz XXNHCLILQHFRLJ-UHFFFAOYSA-N 0 0 301.411 3.430 20 10 DGCDRN COC(=O)[C@@H](N[C@H](C)c1cc(OC)ccc1O)c1ccsc1 ZINC000789301078 625450473 /nfs/dbraw/zinc/45/04/73/625450473.db2.gz XQTAFSJHNASZMO-BMIGLBTASA-N 0 0 321.398 3.027 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@@]3(C)C2)cc1 ZINC000855841257 620941202 /nfs/dbraw/zinc/94/12/02/620941202.db2.gz KHLUOQHZBKUUAP-YLJYHZDGSA-N 0 0 324.424 3.203 20 10 DGCDRN Cc1ccc(CC2CN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)cc1 ZINC000855864686 620944490 /nfs/dbraw/zinc/94/44/90/620944490.db2.gz SAIWXLNLXCNCBC-VQHVLOKHSA-N 0 0 323.392 3.121 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C=C/c1cnc(C)s1)CCC2 ZINC000856077436 620958401 /nfs/dbraw/zinc/95/84/01/620958401.db2.gz VKLOUKSBIGBYPJ-BQYQJAHWSA-N 0 0 314.410 3.453 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1CCCO1)c1cc(Br)c(F)cc1[O-] ZINC000756354388 620959723 /nfs/dbraw/zinc/95/97/23/620959723.db2.gz AAWFCEJQEUXFDM-BDAKNGLRSA-N 0 0 318.186 3.123 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3COC[C@@H]3C2)cc1 ZINC000856152889 620965878 /nfs/dbraw/zinc/96/58/78/620965878.db2.gz HUKFYZMYHADLPG-ROUUACIJSA-N 0 0 324.424 3.203 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@H](C2CCC2)C1 ZINC000856171860 620968568 /nfs/dbraw/zinc/96/85/68/620968568.db2.gz BBVBSVPJAZZOIW-VIHMKRCTSA-N 0 0 301.386 3.150 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC2(COC2)C1 ZINC000856194015 620970812 /nfs/dbraw/zinc/97/08/12/620970812.db2.gz FMGQDDKNVDSPAS-UHFFFAOYSA-N 0 0 316.426 3.018 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@@H](C)Cc2ccc(F)cc2)c1 ZINC000114543530 621009332 /nfs/dbraw/zinc/00/93/32/621009332.db2.gz AEOZWLUNDWSHPY-LBPRGKRZSA-N 0 0 317.360 3.035 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC(CC2CC2)C1 ZINC000856870628 621029787 /nfs/dbraw/zinc/02/97/87/621029787.db2.gz KJKVOHCCDZCIOD-UHFFFAOYSA-N 0 0 311.429 3.004 20 10 DGCDRN C[C@H](O)CCCN1CCCc2cc(OC(F)(F)F)ccc21 ZINC000789335925 625461033 /nfs/dbraw/zinc/46/10/33/625461033.db2.gz KKVDCZDNGZEKME-NSHDSACASA-N 0 0 303.324 3.499 20 10 DGCDRN O=C(NCc1c(O)cccc1F)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000922621432 621067804 /nfs/dbraw/zinc/06/78/04/621067804.db2.gz CGYVDJGJYYMWEY-KBPBESRZSA-N 0 0 314.360 3.134 20 10 DGCDRN CC(C)(C)OC(=O)c1ccnc(NC(=O)C2=CC(=O)CS2)c1 ZINC000857300763 621077725 /nfs/dbraw/zinc/07/77/25/621077725.db2.gz WSORILQCVZAZLG-UHFFFAOYSA-N 0 0 320.370 3.056 20 10 DGCDRN Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCN1CC(F)(F)F ZINC000922708331 621087200 /nfs/dbraw/zinc/08/72/00/621087200.db2.gz JABPNFKYVMMSLJ-LBPRGKRZSA-N 0 0 322.758 3.162 20 10 DGCDRN COCc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC000115280006 621092853 /nfs/dbraw/zinc/09/28/53/621092853.db2.gz DNFNRYDBYNEZNA-UHFFFAOYSA-N 0 0 312.413 3.137 20 10 DGCDRN Cc1ccc(OCC(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC000115281247 621094617 /nfs/dbraw/zinc/09/46/17/621094617.db2.gz DHFGBFNGQDWPQB-UHFFFAOYSA-N 0 0 312.413 3.065 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccnc(Cl)c1 ZINC000115282252 621094687 /nfs/dbraw/zinc/09/46/87/621094687.db2.gz JVSCZBIDOPRQDS-UHFFFAOYSA-N 0 0 303.793 3.039 20 10 DGCDRN O=C(CCOCc1ccccc1)NCc1cc(Cl)ccc1O ZINC000857547662 621094980 /nfs/dbraw/zinc/09/49/80/621094980.db2.gz OMQXQAHGFDSVCR-UHFFFAOYSA-N 0 0 319.788 3.269 20 10 DGCDRN CCc1ccc(C(=O)NCc2cc(Cl)ccc2O)c(O)c1 ZINC000857548572 621095595 /nfs/dbraw/zinc/09/55/95/621095595.db2.gz OOSISRVXIRELAC-UHFFFAOYSA-N 0 0 305.761 3.244 20 10 DGCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CCCF)cc1 ZINC000857583890 621098837 /nfs/dbraw/zinc/09/88/37/621098837.db2.gz FYOWVBYZWISTIA-UHFFFAOYSA-N 0 0 320.330 3.393 20 10 DGCDRN Cc1cc(CC(=O)N(C)c2nccn2C)c(C)n1-c1ccccc1 ZINC000857613416 621103904 /nfs/dbraw/zinc/10/39/04/621103904.db2.gz WUHIXWCSTUYBQN-UHFFFAOYSA-N 0 0 322.412 3.033 20 10 DGCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCS1 ZINC000922844440 621107331 /nfs/dbraw/zinc/10/73/31/621107331.db2.gz XFBSFTCEAOBCES-KCJUWKMLSA-N 0 0 316.810 3.328 20 10 DGCDRN CC[C@@H](CNC(=O)NCc1c(O)cccc1F)CC(F)(F)F ZINC000922888169 621115132 /nfs/dbraw/zinc/11/51/32/621115132.db2.gz IHSWPTYSOYKRBZ-SECBINFHSA-N 0 0 322.302 3.309 20 10 DGCDRN COc1ccc(NC(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC000115640353 621119929 /nfs/dbraw/zinc/11/99/29/621119929.db2.gz RSMXVIDNUDEFQK-UHFFFAOYSA-N 0 0 313.401 3.391 20 10 DGCDRN COc1cccc(NC(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000115640443 621120959 /nfs/dbraw/zinc/12/09/59/621120959.db2.gz VPZWLOYSMSZBSG-UHFFFAOYSA-N 0 0 313.401 3.391 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000922895700 621125424 /nfs/dbraw/zinc/12/54/24/621125424.db2.gz GEHDRYDLITXXTB-ZBEGNZNMSA-N 0 0 313.800 3.480 20 10 DGCDRN C[C@H](N[C@@H]1c2ccccc2CN(C)C1=O)c1ccc(N(C)C)cc1 ZINC000857874304 621126465 /nfs/dbraw/zinc/12/64/65/621126465.db2.gz OECSNBHJEDJCEJ-IFXJQAMLSA-N 0 0 323.440 3.117 20 10 DGCDRN CN(C)c1ccc(CN2CCc3n[nH]cc3C2)c(C(F)(F)F)c1 ZINC000857878660 621127123 /nfs/dbraw/zinc/12/71/23/621127123.db2.gz QAKJDYPRYNAUFQ-UHFFFAOYSA-N 0 0 324.350 3.053 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1Cc2ccccc2C1 ZINC000115854547 621152158 /nfs/dbraw/zinc/15/21/58/621152158.db2.gz UGQKNKIBZIUJAJ-UHFFFAOYSA-N 0 0 309.413 3.286 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCCC2)cc1 ZINC000858096205 621152316 /nfs/dbraw/zinc/15/23/16/621152316.db2.gz WAZWTRXBKDBHMR-UHFFFAOYSA-N 0 0 310.397 3.072 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCc2ccccc2C1 ZINC000115854698 621152515 /nfs/dbraw/zinc/15/25/15/621152515.db2.gz BBZORSVQZHSTGU-UHFFFAOYSA-N 0 0 323.440 3.329 20 10 DGCDRN C[C@]1(CCNC(=O)NCc2c(O)cccc2F)C[C@@]1(F)Cl ZINC000923067270 621154221 /nfs/dbraw/zinc/15/42/21/621154221.db2.gz UNZIXCCVBFAOHI-KBPBESRZSA-N 0 0 318.751 3.035 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCc2ccc([C@@H]3C[C@@H]3C)o2)c1 ZINC000858147930 621158526 /nfs/dbraw/zinc/15/85/26/621158526.db2.gz DWWFATQLFPVJOK-SWLSCSKDSA-N 0 0 314.385 3.416 20 10 DGCDRN COc1cccc([C@@H](C)NC(=O)NCc2cc(C)ccc2O)c1 ZINC000858149615 621158817 /nfs/dbraw/zinc/15/88/17/621158817.db2.gz PYIWNQXURHCHFF-CYBMUJFWSA-N 0 0 314.385 3.270 20 10 DGCDRN COCC[C@H](NCc1cc(F)c(N(C)C)cc1F)c1ccco1 ZINC000858157364 621159668 /nfs/dbraw/zinc/15/96/68/621159668.db2.gz FGASIMJHARXTAF-HNNXBMFYSA-N 0 0 324.371 3.491 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H](C)Cc2ccccc2F)c1 ZINC000858157226 621159801 /nfs/dbraw/zinc/15/98/01/621159801.db2.gz WBTIUHHPCZEQCF-ZDUSSCGKSA-N 0 0 316.376 3.270 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)c1 ZINC000858162194 621160252 /nfs/dbraw/zinc/16/02/52/621160252.db2.gz RTYOMQXJFXYNCM-CVEARBPZSA-N 0 0 314.360 3.195 20 10 DGCDRN CC(C)[C@H]([NH2+]Cc1c(O)cccc1Br)C(C)(C)O ZINC000858160176 621160320 /nfs/dbraw/zinc/16/03/20/621160320.db2.gz PPGWTZXNDZUIDG-ZDUSSCGKSA-N 0 0 316.239 3.040 20 10 DGCDRN Cn1cc(NCc2c(O)cccc2Br)c(C2CC2)n1 ZINC000858166500 621160764 /nfs/dbraw/zinc/16/07/64/621160764.db2.gz PONCXMJLBWHIOM-UHFFFAOYSA-N 0 0 322.206 3.378 20 10 DGCDRN CN(C)c1cc(F)c(CNCC(F)(F)C(F)F)cc1F ZINC000858169297 621161141 /nfs/dbraw/zinc/16/11/41/621161141.db2.gz POIYCKXLDMEXOR-UHFFFAOYSA-N 0 0 300.246 3.021 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC2CC(c3ccccc3)C2)c1 ZINC000858188075 621162955 /nfs/dbraw/zinc/16/29/55/621162955.db2.gz RDPSPAJQWSMQSL-UHFFFAOYSA-N 0 0 310.397 3.446 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2CC(C)(C)OC2(C)C)cc1 ZINC000858199725 621164360 /nfs/dbraw/zinc/16/43/60/621164360.db2.gz PRZIBMWZFBCNBD-MRXNPFEDSA-N 0 0 318.461 3.305 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@@H]2Cc2ccccc2)c1 ZINC000858249285 621168259 /nfs/dbraw/zinc/16/82/59/621168259.db2.gz NNGNKGHNCBBZNK-RDJZCZTQSA-N 0 0 310.397 3.131 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC(C)(C)C)cc1 ZINC000858281121 621171217 /nfs/dbraw/zinc/17/12/17/621171217.db2.gz LXVWQHYSBRCYGI-UHFFFAOYSA-N 0 0 312.413 3.364 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccns1 ZINC000858317486 621174933 /nfs/dbraw/zinc/17/49/33/621174933.db2.gz PZQNCDMWHSXNAT-ZETCQYMHSA-N 0 0 313.766 3.261 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2CCO[C@H](CC(C)C)C2)c1 ZINC000858349698 621179176 /nfs/dbraw/zinc/17/91/76/621179176.db2.gz NJAPWAYAPRJBRK-JKSUJKDBSA-N 0 0 320.433 3.094 20 10 DGCDRN CCC(F)(F)C(C)(C)CNC(=O)NCc1c(O)cccc1F ZINC000923426318 621183172 /nfs/dbraw/zinc/18/31/72/621183172.db2.gz RVYXNFMNCVWBBB-UHFFFAOYSA-N 0 0 318.339 3.402 20 10 DGCDRN CCC[C@@H](C[NH2+]Cc1cc(C)cc(Br)c1[O-])OC ZINC000824544101 621197904 /nfs/dbraw/zinc/19/79/04/621197904.db2.gz TZZNEGFGUGLOKW-LBPRGKRZSA-N 0 0 316.239 3.368 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1Cc2ccccc2NC1=O)c1ccc(N(C)C)cc1 ZINC000858526941 621201501 /nfs/dbraw/zinc/20/15/01/621201501.db2.gz BPYYMFLKUOGGQX-PKOBYXMFSA-N 0 0 323.440 3.357 20 10 DGCDRN CC(C)C1(NC(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000838031884 621203413 /nfs/dbraw/zinc/20/34/13/621203413.db2.gz OPZHDMNWYGSDDJ-UHFFFAOYSA-N 0 0 301.434 3.057 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCC[C@@H]2CC2(Cl)Cl)c1 ZINC000858629730 621211196 /nfs/dbraw/zinc/21/11/96/621211196.db2.gz XRSULWSAYGCYRY-LLVKDONJSA-N 0 0 317.216 3.084 20 10 DGCDRN CCO[C@@H](C(=O)N(CC)Cc1ccc(N(C)C)cc1)C(C)C ZINC000858827220 621223157 /nfs/dbraw/zinc/22/31/57/621223157.db2.gz XTWQNBLIRRLXCT-QGZVFWFLSA-N 0 0 306.450 3.162 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(C)cccc1O ZINC000858826983 621223204 /nfs/dbraw/zinc/22/32/04/621223204.db2.gz TXWHUIOXLNGSAZ-UHFFFAOYSA-N 0 0 312.413 3.429 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H]3COC[C@@H]32)cc1 ZINC000838226411 621226769 /nfs/dbraw/zinc/22/67/69/621226769.db2.gz OHSNFHAMDZJOLQ-MJGOQNOKSA-N 0 0 324.424 3.345 20 10 DGCDRN Cc1cc(C(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)c(C)n1-c1ccccn1 ZINC000838260134 621228824 /nfs/dbraw/zinc/22/88/24/621228824.db2.gz IFMLDMNFKDUOLN-PVAVHDDUSA-N 0 0 309.413 3.408 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)OCCC(C)C)C2)cc1 ZINC000859196053 621259354 /nfs/dbraw/zinc/25/93/54/621259354.db2.gz JACHFJQLQOBHCB-OAHLLOKOSA-N 0 0 320.433 3.294 20 10 DGCDRN CC(C)[C@@]1(C)C[C@@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000838485004 621259414 /nfs/dbraw/zinc/25/94/14/621259414.db2.gz ALKLRBAFZDYHDU-PKOBYXMFSA-N 0 0 313.445 3.297 20 10 DGCDRN O=C(NCCCSc1nccs1)NCC1=CCCCC1 ZINC000838515040 621261797 /nfs/dbraw/zinc/26/17/97/621261797.db2.gz UMRXPMHTLNQILD-UHFFFAOYSA-N 0 0 311.476 3.425 20 10 DGCDRN CC[C@H]1CC[C@H](NC(=O)NCc2ccc(OC)cc2O)CC1 ZINC000838601612 621266744 /nfs/dbraw/zinc/26/67/44/621266744.db2.gz KQTJFZXUSHSAMY-MQMHXKEQSA-N 0 0 306.406 3.169 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCC1=CCOCC1 ZINC000838642357 621268569 /nfs/dbraw/zinc/26/85/69/621268569.db2.gz NRNSOSHZSPIEAL-UHFFFAOYSA-N 0 0 318.417 3.051 20 10 DGCDRN COc1ccc(N(Cc2cc(Cl)n(C)n2)CC2CC2)cc1 ZINC000859323605 621269707 /nfs/dbraw/zinc/26/97/07/621269707.db2.gz BAYURBQBFPDOFB-UHFFFAOYSA-N 0 0 305.809 3.499 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@H](C)c1ccco1 ZINC000859420488 621276576 /nfs/dbraw/zinc/27/65/76/621276576.db2.gz ZLHCUVNEKUJBNC-AWEZNQCLSA-N 0 0 300.402 3.464 20 10 DGCDRN Nc1ccc(CNC(=O)[C@H]2[C@@H]3c4cccc(Cl)c4C[C@H]23)cc1 ZINC000859594046 621296935 /nfs/dbraw/zinc/29/69/35/621296935.db2.gz OIIZKRBMPRNIMK-USXIJHARSA-N 0 0 312.800 3.124 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH+]2CC3(CC(F)C3)C2)c1 ZINC000839141018 621340487 /nfs/dbraw/zinc/34/04/87/621340487.db2.gz XOHGLRUCNDCGDM-UHFFFAOYSA-N 0 0 314.198 3.397 20 10 DGCDRN Cc1cc(NCc2cc([N+](=O)[O-])ccc2[O-])ccc1C[NH+](C)C ZINC000839190261 621346564 /nfs/dbraw/zinc/34/65/64/621346564.db2.gz YRSOPJJVQBEGOM-UHFFFAOYSA-N 0 0 315.373 3.283 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccc(C)n2C)cc1 ZINC000788138157 621351860 /nfs/dbraw/zinc/35/18/60/621351860.db2.gz AHULSIRKVLXGLA-UHFFFAOYSA-N 0 0 313.445 3.452 20 10 DGCDRN C/C(=C\C(=O)N1CCCc2cc(C)cc(C)c21)c1cnccn1 ZINC000839296314 621355804 /nfs/dbraw/zinc/35/58/04/621355804.db2.gz KHROGCLKRSCHAR-SDNWHVSQSA-N 0 0 307.397 3.476 20 10 DGCDRN C/C(=C\C(=O)N1CCCc2ccc(C)c(F)c21)c1cnccn1 ZINC000839440933 621374369 /nfs/dbraw/zinc/37/43/69/621374369.db2.gz DJLAEEZZOOPZCH-JLHYYAGUSA-N 0 0 311.360 3.307 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2C[C@]2(F)c2ccccc2)cc1 ZINC000839469544 621379310 /nfs/dbraw/zinc/37/93/10/621379310.db2.gz LEHUDWXZPWXQJF-HKUYNNGSSA-N 0 0 312.388 3.254 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCCCF)ccc1C ZINC000860215583 621382642 /nfs/dbraw/zinc/38/26/42/621382642.db2.gz KKSPQADJRMPVCL-UHFFFAOYSA-N 0 0 316.376 3.304 20 10 DGCDRN Cc1[nH]nc(NCc2cc(C)cc(Br)c2O)c1C ZINC000886197834 621383043 /nfs/dbraw/zinc/38/30/43/621383043.db2.gz NPABBSKXERVHST-UHFFFAOYSA-N 0 0 310.195 3.415 20 10 DGCDRN Cc1cc2cc(CNC(=O)c3ccc(C)c(O)c3O)ccc2[nH]1 ZINC000804889993 621385980 /nfs/dbraw/zinc/38/59/80/621385980.db2.gz UTDYHZQTHOTMQJ-UHFFFAOYSA-N 0 0 310.353 3.126 20 10 DGCDRN CCCCc1nnc(NC(=O)NCc2cc(C)ccc2O)s1 ZINC000860275859 621389723 /nfs/dbraw/zinc/38/97/23/621389723.db2.gz FTPOWLVUULPGCF-UHFFFAOYSA-N 0 0 320.418 3.216 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NC[C@H]1CCc2ccccc2C1 ZINC000117499108 621406279 /nfs/dbraw/zinc/40/62/79/621406279.db2.gz PZQJWMZYAWQYFH-HNNXBMFYSA-N 0 0 324.424 3.339 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](c1ccccc1)C1CC1 ZINC000117570585 621416343 /nfs/dbraw/zinc/41/63/43/621416343.db2.gz TWYZUOLUXKDAPS-ABMFHFBKSA-N 0 0 309.365 3.379 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2CCCCS2)cc1 ZINC000753261580 621434523 /nfs/dbraw/zinc/43/45/23/621434523.db2.gz IOBMNCGVVVFHAN-INIZCTEOSA-N 0 0 321.490 3.180 20 10 DGCDRN C[C@H]1COCCN1Cc1ccc(OCc2ccccc2)cc1O ZINC000753533774 621446803 /nfs/dbraw/zinc/44/68/03/621446803.db2.gz CHCYNYCPGYQHNE-HNNXBMFYSA-N 0 0 313.397 3.192 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc3c(c2)N(C)CC3)c1 ZINC000860883026 621454814 /nfs/dbraw/zinc/45/48/14/621454814.db2.gz MFCQSBIFPJZZJT-UHFFFAOYSA-N 0 0 311.385 3.015 20 10 DGCDRN CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)C1(C)C ZINC000753639994 621457266 /nfs/dbraw/zinc/45/72/66/621457266.db2.gz FQNAUTMKTZBKQV-QEORTHHSSA-N 0 0 317.429 3.383 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccnn2[C@H](C)C2CC2)c1 ZINC000860966028 621463529 /nfs/dbraw/zinc/46/35/29/621463529.db2.gz FMDCKQKSVULJNO-GFCCVEGCSA-N 0 0 314.389 3.190 20 10 DGCDRN CC[C@@H](C)[C@H](NC(=O)NCc1cc(C)ccc1O)C(F)(F)F ZINC000861021521 621468652 /nfs/dbraw/zinc/46/86/52/621468652.db2.gz DJUKOKLAVVZGRK-MFKMUULPSA-N 0 0 318.339 3.477 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Cc2ccc(C)o2)cc1 ZINC000753948723 621473340 /nfs/dbraw/zinc/47/33/40/621473340.db2.gz DBFUGOXAAWLSNM-UHFFFAOYSA-N 0 0 300.402 3.293 20 10 DGCDRN Cc1ccc(-n2cnc3c2CCN(Cc2ccccc2O)C3)cc1 ZINC000754151426 621491787 /nfs/dbraw/zinc/49/17/87/621491787.db2.gz ZDJVWAWBKLNUCW-UHFFFAOYSA-N 0 0 319.408 3.445 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)C2(OC)CCCC2)cc1 ZINC000754163454 621493220 /nfs/dbraw/zinc/49/32/20/621493220.db2.gz OOBSLUWASHOOJF-UHFFFAOYSA-N 0 0 318.461 3.450 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Cc2cccc(C)c2Cl)c1 ZINC000754229857 621497851 /nfs/dbraw/zinc/49/78/51/621497851.db2.gz ZEKFEGWPMXBMNI-UHFFFAOYSA-N 0 0 319.788 3.222 20 10 DGCDRN CCN(C(=O)/C=C\c1ccc(C)nc1)c1ccccc1C(=O)OC ZINC000754273772 621500094 /nfs/dbraw/zinc/50/00/94/621500094.db2.gz DAMFLLUEQRROIH-QXMHVHEDSA-N 0 0 324.380 3.243 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cn(CC)nc1C ZINC000861561182 621521674 /nfs/dbraw/zinc/52/16/74/621521674.db2.gz CRHWZQGTSOMRME-UHFFFAOYSA-N 0 0 315.417 3.360 20 10 DGCDRN CN(C)c1cccc(CNC(=S)Nc2ccccc2Cl)n1 ZINC000754692110 621525036 /nfs/dbraw/zinc/52/50/36/621525036.db2.gz LAKAKMQSCKQMIX-UHFFFAOYSA-N 0 0 320.849 3.288 20 10 DGCDRN COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2c2cc(C)on2)c1O ZINC000754722857 621527977 /nfs/dbraw/zinc/52/79/77/621527977.db2.gz FLPKHAWICBUEBN-OAHLLOKOSA-N 0 0 302.374 3.343 20 10 DGCDRN COc1cc(C)cc(C[N@@H+]2CCC[C@H]2c2cc(C)on2)c1O ZINC000754722855 621527993 /nfs/dbraw/zinc/52/79/93/621527993.db2.gz FLPKHAWICBUEBN-HNNXBMFYSA-N 0 0 302.374 3.343 20 10 DGCDRN Cc1cc(O)c(CN(C)c2ccc(S(C)(=O)=O)cc2)cc1C ZINC000754747795 621530644 /nfs/dbraw/zinc/53/06/44/621530644.db2.gz CPDMTIIAVNDMNQ-UHFFFAOYSA-N 0 0 319.426 3.049 20 10 DGCDRN CCO[C@H](C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)C(C)C ZINC000862002518 621549863 /nfs/dbraw/zinc/54/98/63/621549863.db2.gz UBBTUSGNHNIJKA-YJBOKZPZSA-N 0 0 320.477 3.169 20 10 DGCDRN CCO[C@@H](C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)C(C)C ZINC000862002512 621549939 /nfs/dbraw/zinc/54/99/39/621549939.db2.gz UBBTUSGNHNIJKA-CRAIPNDOSA-N 0 0 320.477 3.169 20 10 DGCDRN C[C@@H](CC(F)(F)F)C(=O)NCc1ccc2cccnc2c1O ZINC000862024871 621551158 /nfs/dbraw/zinc/55/11/58/621551158.db2.gz ITQRAASHMROZDC-VIFPVBQESA-N 0 0 312.291 3.145 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)[C@H]1CC2CCC1CC2 ZINC000862025798 621551222 /nfs/dbraw/zinc/55/12/22/621551222.db2.gz BDFBUWOCCVBHOO-ZUEPYMLJSA-N 0 0 310.397 3.383 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)[C@H]1C[C@@H]1C1CCCC1 ZINC000862025502 621551245 /nfs/dbraw/zinc/55/12/45/621551245.db2.gz WPPJYPAZTWDEGQ-CVEARBPZSA-N 0 0 310.397 3.383 20 10 DGCDRN O=C(C=C1CCSCC1)NCc1ccc2cccnc2c1O ZINC000862027509 621551267 /nfs/dbraw/zinc/55/12/67/621551267.db2.gz VHPXUNZGUQSOQK-UHFFFAOYSA-N 0 0 314.410 3.010 20 10 DGCDRN COC[C@H](C)CC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000755342040 621567454 /nfs/dbraw/zinc/56/74/54/621567454.db2.gz HPBMKNAQGFMORE-MRXNPFEDSA-N 0 0 318.461 3.212 20 10 DGCDRN CC[C@@]1(C)CN(Cc2c(O)cccc2Br)CCO1 ZINC000862337117 621575868 /nfs/dbraw/zinc/57/58/68/621575868.db2.gz RBDOHABIFQCQOB-AWEZNQCLSA-N 0 0 314.223 3.156 20 10 DGCDRN COc1cccc2c1CCCCN2C(=O)/C=C/c1cccnc1 ZINC000129105423 625499287 /nfs/dbraw/zinc/49/92/87/625499287.db2.gz QLXNTVRUNSKDMF-ZHACJKMWSA-N 0 0 308.381 3.473 20 10 DGCDRN COC(=O)C1=CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000862465671 621592076 /nfs/dbraw/zinc/59/20/76/621592076.db2.gz SNTQPBLNJJSPFH-NSHDSACASA-N 0 0 316.184 3.050 20 10 DGCDRN CN(C)c1ccc(CN2CC3(C2)CCCO3)c(C(F)(F)F)c1 ZINC000862484386 621594534 /nfs/dbraw/zinc/59/45/34/621594534.db2.gz MQMVVQXRPNKCCW-UHFFFAOYSA-N 0 0 314.351 3.136 20 10 DGCDRN CC(C)CSCCCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000755853415 621598085 /nfs/dbraw/zinc/59/80/85/621598085.db2.gz ZXIZIEKIEUCBCZ-UHFFFAOYSA-N 0 0 323.506 3.331 20 10 DGCDRN Cc1cc(C(=O)NCC2(C3CC3)CC2)c(C)n1-c1ccccn1 ZINC000118973050 621604015 /nfs/dbraw/zinc/60/40/15/621604015.db2.gz HAOVRICKPJLFLC-UHFFFAOYSA-N 0 0 309.413 3.409 20 10 DGCDRN CO[C@](C)(C(=O)NCc1cc(C)ccc1O)c1ccccc1F ZINC000862757209 621613737 /nfs/dbraw/zinc/61/37/37/621613737.db2.gz LGFMQBJXNCCFTF-SFHVURJKSA-N 0 0 317.360 3.018 20 10 DGCDRN CO[C@@](C)(C(=O)NCc1cc(C)ccc1O)c1ccccc1F ZINC000862757208 621613851 /nfs/dbraw/zinc/61/38/51/621613851.db2.gz LGFMQBJXNCCFTF-GOSISDBHSA-N 0 0 317.360 3.018 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CCCn2cnc3ccccc32)c1 ZINC000862758875 621614215 /nfs/dbraw/zinc/61/42/15/621614215.db2.gz OXAODJUVMICZNC-UHFFFAOYSA-N 0 0 323.396 3.147 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccccc2OCC2CC2)c1 ZINC000862758846 621614249 /nfs/dbraw/zinc/61/42/49/621614249.db2.gz NVBGLPLVPFELMI-UHFFFAOYSA-N 0 0 311.381 3.419 20 10 DGCDRN Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCc1cc(C)ccc1O ZINC000862757903 621614274 /nfs/dbraw/zinc/61/42/74/621614274.db2.gz HYYBTKMAPULPMO-ZIAGYGMSSA-N 0 0 301.411 3.490 20 10 DGCDRN CC[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)CC(=O)[O-] ZINC000756307450 621626919 /nfs/dbraw/zinc/62/69/19/621626919.db2.gz HPNUTIGYJOTHRT-OAHLLOKOSA-N 0 0 304.434 3.267 20 10 DGCDRN CC[C@H](CO)[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756338997 621627200 /nfs/dbraw/zinc/62/72/00/621627200.db2.gz BCPVKAVVTDUPLE-VXNVDRBHSA-N 0 0 322.630 3.230 20 10 DGCDRN CN(C)c1ccc(C[NH2+][C@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000756333481 621628121 /nfs/dbraw/zinc/62/81/21/621628121.db2.gz RGAUVTPSEXBKSZ-INIZCTEOSA-N 0 0 318.804 3.322 20 10 DGCDRN O=C([O-])[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 ZINC000756334032 621628618 /nfs/dbraw/zinc/62/86/18/621628618.db2.gz WTZFROMEWZBNPD-INIZCTEOSA-N 0 0 317.772 3.190 20 10 DGCDRN CC[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756338994 621628700 /nfs/dbraw/zinc/62/87/00/621628700.db2.gz BCPVKAVVTDUPLE-CBAPKCEASA-N 0 0 322.630 3.230 20 10 DGCDRN CN(C)c1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000756333485 621628736 /nfs/dbraw/zinc/62/87/36/621628736.db2.gz RGAUVTPSEXBKSZ-MRXNPFEDSA-N 0 0 318.804 3.322 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1cc(F)cc(F)c1[O-] ZINC000756351125 621630188 /nfs/dbraw/zinc/63/01/88/621630188.db2.gz IXGQVMKBMJNTDE-YGRLFVJLSA-N 0 0 310.344 3.217 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCc2ccccc2C)c1 ZINC000756356454 621630505 /nfs/dbraw/zinc/63/05/05/621630505.db2.gz DFMAVKCYKDYMQA-AWEZNQCLSA-N 0 0 313.397 3.381 20 10 DGCDRN C[C@@H]([NH2+]CCOc1ccccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756372108 621632173 /nfs/dbraw/zinc/63/21/73/621632173.db2.gz OEKXGJFJPMXVPC-LLVKDONJSA-N 0 0 320.320 3.169 20 10 DGCDRN COc1ccccc1OCC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000756369178 621632223 /nfs/dbraw/zinc/63/22/23/621632223.db2.gz AYWWGJRPAGCWOT-GFCCVEGCSA-N 0 0 305.349 3.270 20 10 DGCDRN COc1ccc([C@H](O)C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756381546 621633404 /nfs/dbraw/zinc/63/34/04/621633404.db2.gz MSIXEYXREKCAQW-QLJPJBMISA-N 0 0 323.339 3.063 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1COc2ccccc2C1)c1ccc(F)cc1[O-] ZINC000756458191 621639445 /nfs/dbraw/zinc/63/94/45/621639445.db2.gz UGCVLBJGTCJWAK-QWHCGFSZSA-N 0 0 301.361 3.433 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756455528 621639548 /nfs/dbraw/zinc/63/95/48/621639548.db2.gz DDOVFEVWZVTKGB-OCCSQVGLSA-N 0 0 321.367 3.172 20 10 DGCDRN C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000756459569 621640036 /nfs/dbraw/zinc/64/00/36/621640036.db2.gz PKWZZVYINZHPNY-DZGCQCFKSA-N 0 0 303.377 3.033 20 10 DGCDRN C[C@H]([NH2+]CCOC1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756490339 621641467 /nfs/dbraw/zinc/64/14/67/621641467.db2.gz NSOUSDGGTHLHFN-LBPRGKRZSA-N 0 0 308.378 3.300 20 10 DGCDRN Cc1cn(C)nc1C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000863163746 621644198 /nfs/dbraw/zinc/64/41/98/621644198.db2.gz OCOMVGHHSMSWOU-UHFFFAOYSA-N 0 0 322.412 3.066 20 10 DGCDRN Cc1cc(CNC(=O)[C@@H]2C[C@]23CCOC3)c(C)n1-c1ccccc1 ZINC000863166276 621644761 /nfs/dbraw/zinc/64/47/61/621644761.db2.gz WIKJDXYMJBUVRD-ICSRJNTNSA-N 0 0 324.424 3.137 20 10 DGCDRN COC1CCN(C(C)(C)C[NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000756549311 621647344 /nfs/dbraw/zinc/64/73/44/621647344.db2.gz DVTWMWKJJKOAAT-CYBMUJFWSA-N 0 0 324.440 3.071 20 10 DGCDRN CCCC[C@@H](COC)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756584967 621651027 /nfs/dbraw/zinc/65/10/27/621651027.db2.gz HUOGCSTWLWFESY-JSGCOSHPSA-N 0 0 309.406 3.035 20 10 DGCDRN Cc1ccc([C@H](C)NCc2n[nH]cc2Br)c(O)c1C ZINC000756585054 621651303 /nfs/dbraw/zinc/65/13/03/621651303.db2.gz JQBXAVKBVBCZBK-JTQLQIEISA-N 0 0 324.222 3.345 20 10 DGCDRN CCSCC[C@H](C)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756618415 621653062 /nfs/dbraw/zinc/65/30/62/621653062.db2.gz PXNGTRYJTVLFFP-NWDGAFQWSA-N 0 0 311.447 3.361 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)c2ccncc2)c1 ZINC000756632965 621654518 /nfs/dbraw/zinc/65/45/18/621654518.db2.gz GCWNCGXXWBRDFF-OLZOCXBDSA-N 0 0 314.385 3.028 20 10 DGCDRN C[C@@H]([NH2+]CCc1cc(F)ccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756638610 621655310 /nfs/dbraw/zinc/65/53/10/621655310.db2.gz VAKYUBAXLXAIEN-SNVBAGLBSA-N 0 0 322.311 3.472 20 10 DGCDRN COC(C)(C)C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756644533 621655489 /nfs/dbraw/zinc/65/54/89/621655489.db2.gz BAZFCOUEVHDRDN-MRVPVSSYSA-N 0 0 320.202 3.369 20 10 DGCDRN C[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccc(F)cc1[O-] ZINC000756660325 621657141 /nfs/dbraw/zinc/65/71/41/621657141.db2.gz VRVMJQIUZMMKKR-VIFPVBQESA-N 0 0 317.286 3.141 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CC=C(C)CC2)cc1 ZINC000756681200 621658404 /nfs/dbraw/zinc/65/84/04/621658404.db2.gz JTAKMLUMTHIMHZ-UHFFFAOYSA-N 0 0 301.434 3.394 20 10 DGCDRN C[C@H]([NH2+]CCc1cccc(F)c1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756713012 621659965 /nfs/dbraw/zinc/65/99/65/621659965.db2.gz UGWKOMHBTZIFKV-JTQLQIEISA-N 0 0 322.311 3.472 20 10 DGCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2cccc(OC)c2)c1 ZINC000756796576 621665413 /nfs/dbraw/zinc/66/54/13/621665413.db2.gz RNULPPXQKDYILS-NSHDSACASA-N 0 0 301.342 3.361 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CC3CCC2CC3)c1 ZINC000756845336 621668219 /nfs/dbraw/zinc/66/82/19/621668219.db2.gz UBNCTLCQNSGEFS-NEQJSVFRSA-N 0 0 303.402 3.408 20 10 DGCDRN CCN(CC)c1ccc(CNCc2cc(C)ncn2)cc1F ZINC000756989906 621677852 /nfs/dbraw/zinc/67/78/52/621677852.db2.gz IOWBAMNDUYWBIM-UHFFFAOYSA-N 0 0 302.397 3.060 20 10 DGCDRN CCCOC(=O)[C@@H](C)N(Cc1ccco1)Cc1ccccc1O ZINC000119484663 621678852 /nfs/dbraw/zinc/67/88/52/621678852.db2.gz DFNAUYIUGVTZBA-CQSZACIVSA-N 0 0 317.385 3.329 20 10 DGCDRN CCc1ccc([C@@H](C)NC(=O)CN(C)c2ccc(N)cc2)cc1 ZINC000863556673 621682886 /nfs/dbraw/zinc/68/28/86/621682886.db2.gz CEZWHXNKEOGEJR-CQSZACIVSA-N 0 0 311.429 3.145 20 10 DGCDRN C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN(C)c1ccc(N)cc1 ZINC000863557064 621683505 /nfs/dbraw/zinc/68/35/05/621683505.db2.gz HJRJMQHRBPEALY-ZDUSSCGKSA-N 0 0 315.392 3.064 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CC=C(C(F)(F)F)CC2)c1O ZINC000757120967 621688291 /nfs/dbraw/zinc/68/82/91/621688291.db2.gz RAOWAILJTAEFSJ-UHFFFAOYSA-N 0 0 317.282 3.428 20 10 DGCDRN CCN(CCCO)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000757201594 621693047 /nfs/dbraw/zinc/69/30/47/621693047.db2.gz JFEQBGQHZJYYNB-UHFFFAOYSA-N 0 0 318.392 3.078 20 10 DGCDRN C[C@@H](NCc1nc2ccccc2c(=O)[nH]1)c1ccc(N(C)C)cc1 ZINC000839562889 621697424 /nfs/dbraw/zinc/69/74/24/621697424.db2.gz DXQCTMVMTMKKIS-CYBMUJFWSA-N 0 0 322.412 3.252 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(C)s2)c1 ZINC000103510478 621698427 /nfs/dbraw/zinc/69/84/27/621698427.db2.gz CCIAHXSOZAVGCA-NSHDSACASA-N 0 0 320.414 3.331 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2cc(F)cc(Cl)c2)c1 ZINC000757380722 621704596 /nfs/dbraw/zinc/70/45/96/621704596.db2.gz ABWFCRMOAHMWFM-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN CCCCCCO[C@@H](C)C(=O)NCc1cc(OC)ccc1O ZINC000839685020 621707333 /nfs/dbraw/zinc/70/73/33/621707333.db2.gz SXGWBAQRDMSQKO-ZDUSSCGKSA-N 0 0 309.406 3.002 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)Oc2ccccc2)c1 ZINC000103530457 621707476 /nfs/dbraw/zinc/70/74/76/621707476.db2.gz PVUMGILHKJYZGW-STQMWFEESA-N 0 0 315.369 3.046 20 10 DGCDRN COc1cccc(CNc2ccc(Cn3cccn3)cc2)c1O ZINC000119660905 621712312 /nfs/dbraw/zinc/71/23/12/621712312.db2.gz DNMZBQRRBXUHGP-UHFFFAOYSA-N 0 0 309.369 3.258 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](CC)C(=O)OCC ZINC000839759022 621721505 /nfs/dbraw/zinc/72/15/05/621721505.db2.gz HYSBRXPEZRMRJA-HNNXBMFYSA-N 0 0 321.417 3.110 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)c1cn[nH]c1 ZINC000757583776 621726712 /nfs/dbraw/zinc/72/67/12/621726712.db2.gz XTSGYNJFYXWDER-GFCCVEGCSA-N 0 0 314.414 3.370 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)c1cn[nH]c1 ZINC000757583779 621726757 /nfs/dbraw/zinc/72/67/57/621726757.db2.gz XTSGYNJFYXWDER-LBPRGKRZSA-N 0 0 314.414 3.370 20 10 DGCDRN Cc1ccc([C@@H](C)Nc2cccc([C@@H]3CNC(=O)C3)c2)c(O)c1 ZINC000757619053 621728855 /nfs/dbraw/zinc/72/88/55/621728855.db2.gz KDWPHTDXSDTKBX-HIFRSBDPSA-N 0 0 310.397 3.477 20 10 DGCDRN Oc1c(F)cc(Cl)cc1CNc1cccc(-n2nccn2)c1 ZINC000864044093 621730878 /nfs/dbraw/zinc/73/08/78/621730878.db2.gz SGTJRVUPPXGPIS-UHFFFAOYSA-N 0 0 318.739 3.378 20 10 DGCDRN Oc1ccc(Cl)cc1CNc1cccc(-n2nccn2)c1 ZINC000864043994 621730883 /nfs/dbraw/zinc/73/08/83/621730883.db2.gz QIAJGWODEUWFHO-UHFFFAOYSA-N 0 0 300.749 3.238 20 10 DGCDRN C[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000757659032 621732078 /nfs/dbraw/zinc/73/20/78/621732078.db2.gz XGWXQKNRNPXZSQ-VGMNWLOBSA-N 0 0 320.202 3.104 20 10 DGCDRN C[C@H](O)C[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000757659029 621732130 /nfs/dbraw/zinc/73/21/30/621732130.db2.gz XGWXQKNRNPXZSQ-CIUDSAMLSA-N 0 0 320.202 3.104 20 10 DGCDRN COc1c(N[C@@H](C)c2cc(Cl)ccc2O)cccc1C(N)=O ZINC000757659905 621732186 /nfs/dbraw/zinc/73/21/86/621732186.db2.gz URQXIGFPZIXKKZ-VIFPVBQESA-N 0 0 320.776 3.326 20 10 DGCDRN COc1ccc(N(C)Cc2ncc(C)c(OC)c2C)cc1F ZINC000757852352 621742801 /nfs/dbraw/zinc/74/28/01/621742801.db2.gz LDUMTYSBBLAOER-UHFFFAOYSA-N 0 0 304.365 3.491 20 10 DGCDRN COc1ccc(N(C)CC(=O)N(C)[C@H]2CCCC[C@H]2C)cc1F ZINC000757852641 621742911 /nfs/dbraw/zinc/74/29/11/621742911.db2.gz PVWODBAQPSVSOU-CJNGLKHVSA-N 0 0 322.424 3.308 20 10 DGCDRN COc1ccc(N(C)CC(=O)NC2CCCCCC2)cc1F ZINC000757851517 621743045 /nfs/dbraw/zinc/74/30/45/621743045.db2.gz LRTINXWCCVZEHV-UHFFFAOYSA-N 0 0 308.397 3.110 20 10 DGCDRN COc1ccc(N(C)CC(=O)NC2CCC(C)CC2)cc1Cl ZINC000757856599 621743418 /nfs/dbraw/zinc/74/34/18/621743418.db2.gz LLRATHQGHLLPDY-UHFFFAOYSA-N 0 0 324.852 3.480 20 10 DGCDRN COc1ccc(N(C)Cc2cnn(-c3ccccc3)n2)cc1F ZINC000757857971 621743428 /nfs/dbraw/zinc/74/34/28/621743428.db2.gz UJZKAOVPSUKBPJ-UHFFFAOYSA-N 0 0 312.348 3.051 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CC(C)(F)F)cc1F ZINC000757934865 621747600 /nfs/dbraw/zinc/74/76/00/621747600.db2.gz BXOYTMSVGDQZKQ-UHFFFAOYSA-N 0 0 302.340 3.333 20 10 DGCDRN Oc1ccc(F)cc1CN1CCO[C@@H](CCc2ccccc2)C1 ZINC000757994125 621751986 /nfs/dbraw/zinc/75/19/86/621751986.db2.gz HFMSSXKCAMIMQQ-SFHVURJKSA-N 0 0 315.388 3.365 20 10 DGCDRN O=C1/C(=C/c2ccc(C(F)F)nc2)SC(=S)N1C1CC1 ZINC000864356638 621760345 /nfs/dbraw/zinc/76/03/45/621760345.db2.gz SLTARDSLNMCTAG-YHYXMXQVSA-N 0 0 312.366 3.383 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CC12CCCC2 ZINC000758840819 621805374 /nfs/dbraw/zinc/80/53/74/621805374.db2.gz OWWKWQUPDJDBKQ-QGZVFWFLSA-N 0 0 311.429 3.195 20 10 DGCDRN Cc1cc(C(=O)N2CC(O)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000759079289 621823433 /nfs/dbraw/zinc/82/34/33/621823433.db2.gz WVVXDRJSSDPWEI-UHFFFAOYSA-N 0 0 312.413 3.034 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CC23CCCC3)c1 ZINC000759304552 621844516 /nfs/dbraw/zinc/84/45/16/621844516.db2.gz IDLUHWVOQSMWRT-IAQYHMDHSA-N 0 0 304.390 3.094 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn(C(F)F)c1 ZINC000865027128 621847986 /nfs/dbraw/zinc/84/79/86/621847986.db2.gz HVRVTMLANSIMOT-UHFFFAOYSA-N 0 0 322.359 3.007 20 10 DGCDRN Cc1occc1CNC(=O)NCCCSc1nccs1 ZINC000759568546 621871929 /nfs/dbraw/zinc/87/19/29/621871929.db2.gz GOMDBSVAASVGPT-UHFFFAOYSA-N 0 0 311.432 3.026 20 10 DGCDRN CC(C)CSCCCOC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000759579772 621873136 /nfs/dbraw/zinc/87/31/36/621873136.db2.gz OKMREMVURNHNAN-FNORWQNLSA-N 0 0 310.415 3.434 20 10 DGCDRN Cc1ccc(OCCOC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000759591467 621873731 /nfs/dbraw/zinc/87/37/31/621873731.db2.gz IDGHWJUZXNVBKH-UITAMQMPSA-N 0 0 314.337 3.042 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCc1ccc(CF)cc1 ZINC000759588444 621873738 /nfs/dbraw/zinc/87/37/38/621873738.db2.gz LMVSOUDWGNXAFT-VURMDHGXSA-N 0 0 302.301 3.324 20 10 DGCDRN CC(C)[C@H](C)N(C)C(=O)NCCCSc1nccs1 ZINC000759590981 621873887 /nfs/dbraw/zinc/87/38/87/621873887.db2.gz OHWWGTGHJNXPES-NSHDSACASA-N 0 0 301.481 3.311 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCc1cc(F)ccc1F ZINC000759594911 621874385 /nfs/dbraw/zinc/87/43/85/621874385.db2.gz OLPPYDTUKQJHFS-QHHAFSJGSA-N 0 0 306.264 3.133 20 10 DGCDRN O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CC12CCC2 ZINC000759715048 621885288 /nfs/dbraw/zinc/88/52/88/621885288.db2.gz ZUDLWZMQDATZDY-INIZCTEOSA-N 0 0 316.470 3.046 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CC23CCC3)cc1F ZINC000759788269 621890237 /nfs/dbraw/zinc/89/02/37/621890237.db2.gz TVPZLMHNHZCJDP-CQSZACIVSA-N 0 0 304.409 3.478 20 10 DGCDRN CN(C)c1ccc(CNc2nnc([C@@H]3CCCO3)s2)cc1 ZINC000865296212 621892684 /nfs/dbraw/zinc/89/26/84/621892684.db2.gz TXQPQYMVOUWVRS-ZDUSSCGKSA-N 0 0 304.419 3.068 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CCOCC3(CCC3)C2)c1O ZINC000759914631 621902003 /nfs/dbraw/zinc/90/20/03/621902003.db2.gz HGEFPGIJWLKSRF-UHFFFAOYSA-N 0 0 323.820 3.251 20 10 DGCDRN CC(C)Oc1ccc(N(C)CC(=O)NCCC(C)(C)C)cc1 ZINC000759927366 621903337 /nfs/dbraw/zinc/90/33/37/621903337.db2.gz FSAIRUBWMMNHLO-UHFFFAOYSA-N 0 0 306.450 3.462 20 10 DGCDRN CC(C)Oc1ccc(N(C)CC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000759932999 621903738 /nfs/dbraw/zinc/90/37/38/621903738.db2.gz HQNBZSAULNOQJT-HOTGVXAUSA-N 0 0 318.461 3.415 20 10 DGCDRN COC(=O)c1ccoc1CN(C)c1ccc(OC(C)C)cc1 ZINC000759933577 621904045 /nfs/dbraw/zinc/90/40/45/621904045.db2.gz NHTVYFSVOVHMFU-UHFFFAOYSA-N 0 0 303.358 3.490 20 10 DGCDRN C[C@@H]([NH2+][C@H](CO)CC(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000760049499 621912837 /nfs/dbraw/zinc/91/28/37/621912837.db2.gz GLTOZTSXLBTOGS-RQJHMYQMSA-N 0 0 314.159 3.366 20 10 DGCDRN C[C@H]([NH2+][C@H](CO)CC(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000760049486 621912877 /nfs/dbraw/zinc/91/28/77/621912877.db2.gz GLTOZTSXLBTOGS-BQBZGAKWSA-N 0 0 314.159 3.366 20 10 DGCDRN C[C@H]1CN(C(=O)C2=CC(=O)CS2)C[C@H](c2ccsc2)O1 ZINC000760140195 621917114 /nfs/dbraw/zinc/91/71/14/621917114.db2.gz GGHBFDNQLMQQDL-JOYOIKCWSA-N 0 0 309.412 3.117 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C[C@H]1CCOC1 ZINC000760192117 621920139 /nfs/dbraw/zinc/92/01/39/621920139.db2.gz FYIAHBGKJXYSHF-LSDHHAIUSA-N 0 0 320.433 3.129 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)/C=C/c1cncc(F)c1 ZINC000120585368 621931444 /nfs/dbraw/zinc/93/14/44/621931444.db2.gz ONZPXGSICNYTDT-BQYQJAHWSA-N 0 0 314.360 3.378 20 10 DGCDRN CCO[C@H](CC(=O)NCc1ccc(N2CCCC2)cc1)C(C)C ZINC000760365912 621935867 /nfs/dbraw/zinc/93/58/67/621935867.db2.gz RNVUUUNIXDQWME-GOSISDBHSA-N 0 0 318.461 3.354 20 10 DGCDRN CC1CCN(c2ccc(CNc3ccc(F)nn3)cc2)CC1 ZINC000865528237 621943571 /nfs/dbraw/zinc/94/35/71/621943571.db2.gz WTMVALCTPYGQIF-UHFFFAOYSA-N 0 0 300.381 3.464 20 10 DGCDRN Oc1cc2c(cc1CN1CCOc3c(Cl)cccc31)OCO2 ZINC000789572081 625527269 /nfs/dbraw/zinc/52/72/69/625527269.db2.gz SCDAOZDPSBKTAK-UHFFFAOYSA-N 0 0 319.744 3.173 20 10 DGCDRN CN(Cc1ccccc1O)c1nccn2nc(C3CCC3)cc12 ZINC000865647435 621970625 /nfs/dbraw/zinc/97/06/25/621970625.db2.gz WOGPEALEDMYMRB-UHFFFAOYSA-N 0 0 308.385 3.339 20 10 DGCDRN Cc1ccc(N2CCN(C(=O)C3=CC(=O)CS3)CC2)cc1C ZINC000760877559 621971076 /nfs/dbraw/zinc/97/10/76/621971076.db2.gz XNEAYLUYWGRGIN-UHFFFAOYSA-N 0 0 316.426 3.033 20 10 DGCDRN C[C@H]([NH2+]CCc1ccn(C)n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000760895750 621972207 /nfs/dbraw/zinc/97/22/07/621972207.db2.gz COKNZVKVGWSZTO-VIFPVBQESA-N 0 0 314.216 3.326 20 10 DGCDRN CN(C)c1cc(F)c(CNc2cnn3c2CCCC3)cc1F ZINC000865708651 621981250 /nfs/dbraw/zinc/98/12/50/621981250.db2.gz UNUJHDPGWZLRCF-UHFFFAOYSA-N 0 0 306.360 3.176 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000211722363 625529631 /nfs/dbraw/zinc/52/96/31/625529631.db2.gz YTWKTWHUAFJPGA-CYBMUJFWSA-N 0 0 315.244 3.369 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1SCCS1 ZINC000761147374 621990345 /nfs/dbraw/zinc/99/03/45/621990345.db2.gz ZWCCTUYZZNAXKC-UHFFFAOYSA-N 0 0 324.515 3.296 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000865761850 621990572 /nfs/dbraw/zinc/99/05/72/621990572.db2.gz IMXQTYILNRNIRN-ZBEGNZNMSA-N 0 0 313.800 3.480 20 10 DGCDRN Cc1nn(C)cc1C=C1SC(Nc2cccc(C)c2)=NC1=O ZINC000120724228 621992888 /nfs/dbraw/zinc/99/28/88/621992888.db2.gz ZUVRIAAGBBNTMZ-RIYZIHGNSA-N 0 0 312.398 3.119 20 10 DGCDRN COc1ccc(N(C)Cc2c[nH]nc2-c2cccnc2)cc1OC ZINC000761220645 621995126 /nfs/dbraw/zinc/99/51/26/621995126.db2.gz HYRFVCDUSGXJQS-UHFFFAOYSA-N 0 0 324.384 3.125 20 10 DGCDRN COc1ccc(N(C)Cc2ccc(NC(C)=O)cc2)cc1OC ZINC000761222795 621995762 /nfs/dbraw/zinc/99/57/62/621995762.db2.gz WDIHSFYXEFIHQE-UHFFFAOYSA-N 0 0 314.385 3.299 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCSCCC(F)(F)F)c1 ZINC000865788328 621995861 /nfs/dbraw/zinc/99/58/61/621995861.db2.gz MFKFNEABJVAPSM-UHFFFAOYSA-N 0 0 324.324 3.076 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)O[C@@H]1CCCOC1 ZINC000761342528 622002232 /nfs/dbraw/zinc/00/22/32/622002232.db2.gz XQYGJHCAJAIYSS-CYBMUJFWSA-N 0 0 305.399 3.491 20 10 DGCDRN CCO[C@H](CC(=O)N[C@@H](C)c1cc(OC)ccc1O)C(C)C ZINC000761539835 622015751 /nfs/dbraw/zinc/01/57/51/622015751.db2.gz DSPRSVIMLVQZAJ-BLLLJJGKSA-N 0 0 309.406 3.029 20 10 DGCDRN CCOCCCCCC(=O)NCc1ccc(N(C)C)cc1C ZINC000865903682 622018258 /nfs/dbraw/zinc/01/82/58/622018258.db2.gz FCKKLSZBUBTCRR-UHFFFAOYSA-N 0 0 306.450 3.274 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(C)(C)[C@@H]1CCCCO1 ZINC000865903762 622018270 /nfs/dbraw/zinc/01/82/70/622018270.db2.gz GLQCAWPSZORCCV-KRWDZBQOSA-N 0 0 318.461 3.273 20 10 DGCDRN CC[C@@H]1C(=O)N([C@@H](C)c2ccc(N(C)C)cc2)C(=O)N1C1CC1 ZINC000761576165 622018524 /nfs/dbraw/zinc/01/85/24/622018524.db2.gz ASKWYIIUQCXKMA-BLLLJJGKSA-N 0 0 315.417 3.019 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)CCOc1cccc(Cl)c1 ZINC000761745569 622027304 /nfs/dbraw/zinc/02/73/04/622027304.db2.gz LDFWXAMAKOVSRH-UHFFFAOYSA-N 0 0 319.788 3.473 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](C)CC(N)=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000806142819 622032190 /nfs/dbraw/zinc/03/21/90/622032190.db2.gz GBZCKEKJYIQFDQ-WRWORJQWSA-N 0 0 305.205 3.004 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCC(C)(C)C(C)(F)F)cc1 ZINC000866142318 622053468 /nfs/dbraw/zinc/05/34/68/622053468.db2.gz BFPGODWAHPJQGD-UHFFFAOYSA-N 0 0 313.392 3.233 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC(=O)C(C)(C)C)cc1 ZINC000762263002 622066721 /nfs/dbraw/zinc/06/67/21/622066721.db2.gz LHOZQYLSGLZDIF-UHFFFAOYSA-N 0 0 312.413 3.439 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccc2sccc2c1 ZINC000762269154 622067221 /nfs/dbraw/zinc/06/72/21/622067221.db2.gz YWXQTQKZYBPIJS-UHFFFAOYSA-N 0 0 313.378 3.285 20 10 DGCDRN COc1ccc(C[C@H](C)CN(C)C(=O)C2=CC(=O)CS2)cc1 ZINC000762287440 622067701 /nfs/dbraw/zinc/06/77/01/622067701.db2.gz LGFYFXATBPZYKC-LBPRGKRZSA-N 0 0 319.426 3.413 20 10 DGCDRN CCn1cnc2c1nc(Cl)nc2N[C@H](C)c1ccccc1O ZINC000866239167 622073449 /nfs/dbraw/zinc/07/34/49/622073449.db2.gz SMBAEWBHXRCBAG-SECBINFHSA-N 0 0 317.780 3.378 20 10 DGCDRN C[C@H](Nc1ncnc2c1cnn2C(C)(C)C)c1ccccc1O ZINC000866239217 622073486 /nfs/dbraw/zinc/07/34/86/622073486.db2.gz SSKIVBOBMPEFSA-NSHDSACASA-N 0 0 311.389 3.460 20 10 DGCDRN CN(C)c1ccc(CN[C@@H]2c3ccccc3OC[C@H]2F)cc1F ZINC000866247979 622075601 /nfs/dbraw/zinc/07/56/01/622075601.db2.gz IWBCCIRSNACPTB-CRAIPNDOSA-N 0 0 318.367 3.453 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Cc2ccc(C)cc2Cl)c1 ZINC000762538937 622082715 /nfs/dbraw/zinc/08/27/15/622082715.db2.gz GNCNRYNCKPKKLD-UHFFFAOYSA-N 0 0 319.788 3.222 20 10 DGCDRN Cc1nc2c(c(N[C@H](C)Cc3ccc(O)c(O)c3)n1)CCCC2 ZINC000762800619 622099480 /nfs/dbraw/zinc/09/94/80/622099480.db2.gz UDMQCTSQEPCDIE-LLVKDONJSA-N 0 0 313.401 3.118 20 10 DGCDRN CCOC(=O)c1cccnc1NCc1ccc(N(C)C)cc1C ZINC000762800658 622099532 /nfs/dbraw/zinc/09/95/32/622099532.db2.gz AIALPWWGWHILBG-UHFFFAOYSA-N 0 0 313.401 3.245 20 10 DGCDRN C[C@H]([NH2+]Cc1cccc2c1CCOC2)c1ccc(F)cc1[O-] ZINC000866478376 622124328 /nfs/dbraw/zinc/12/43/28/622124328.db2.gz HXJKOXLDXOZEKP-LBPRGKRZSA-N 0 0 301.361 3.455 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ccc2c(c1)OC(C)(C)C2 ZINC000866596161 622143768 /nfs/dbraw/zinc/14/37/68/622143768.db2.gz BRYUFBWXFWLPFF-UHFFFAOYSA-N 0 0 311.381 3.378 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CCOC(C)(C)[C@H]2C)c1O ZINC000763415375 622144220 /nfs/dbraw/zinc/14/42/20/622144220.db2.gz JKIFWPZROZAMOY-LLVKDONJSA-N 0 0 311.809 3.248 20 10 DGCDRN CCOc1ccc(CN[C@H](CC)C(=O)OC(C)(C)C)c(O)c1 ZINC000763503860 622148460 /nfs/dbraw/zinc/14/84/60/622148460.db2.gz XWXCDWJPTKZTEK-CQSZACIVSA-N 0 0 309.406 3.001 20 10 DGCDRN COc1ccc(N(CCCc2nc(C)no2)C(C)C)cc1F ZINC000763521192 622149370 /nfs/dbraw/zinc/14/93/70/622149370.db2.gz PSLKNTHBORRJBG-UHFFFAOYSA-N 0 0 307.369 3.373 20 10 DGCDRN COc1ccc(N(C[C@H]2CC3(CC3)C(=O)O2)C(C)C)cc1F ZINC000763721263 622159817 /nfs/dbraw/zinc/15/98/17/622159817.db2.gz DJVXQNVFKXTZAJ-CYBMUJFWSA-N 0 0 307.365 3.145 20 10 DGCDRN COC[C@@H](C)OC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000866753398 622162235 /nfs/dbraw/zinc/16/22/35/622162235.db2.gz RHFXUVACUISONF-OAHLLOKOSA-N 0 0 320.433 3.184 20 10 DGCDRN O=C(NCCCSc1nccs1)OCCC(F)(F)F ZINC000866782099 622163496 /nfs/dbraw/zinc/16/34/96/622163496.db2.gz QKLONLIVEIQARE-UHFFFAOYSA-N 0 0 314.354 3.304 20 10 DGCDRN CCOC1CC2(C[C@H]2C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000867505464 622169528 /nfs/dbraw/zinc/16/95/28/622169528.db2.gz VJTQPQJJYQGHJT-XZSFARSDSA-N 0 0 316.445 3.135 20 10 DGCDRN C[C@H](NC(=O)C1CC2(CSC2)C1)c1ccc(N(C)C)cc1 ZINC000867503930 622169644 /nfs/dbraw/zinc/16/96/44/622169644.db2.gz QOYXPYJHUSTVCD-LBPRGKRZSA-N 0 0 304.459 3.073 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC(=O)[C@@H](C)C1 ZINC000764083589 622177963 /nfs/dbraw/zinc/17/79/63/622177963.db2.gz CZHFACQQPKKUMS-UONOGXRCSA-N 0 0 303.402 3.136 20 10 DGCDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCc1cccc(Br)c1O ZINC000867830520 622186759 /nfs/dbraw/zinc/18/67/59/622186759.db2.gz BBYNYTVLHRSFMD-QTKMDUPCSA-N 0 0 324.218 3.063 20 10 DGCDRN CCc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2O)s1 ZINC000867834604 622187331 /nfs/dbraw/zinc/18/73/31/622187331.db2.gz ROPVUPWGXRZFEY-SNVBAGLBSA-N 0 0 311.428 3.056 20 10 DGCDRN Cc1cc(C)cc(CS(=O)(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000867836274 622187339 /nfs/dbraw/zinc/18/73/39/622187339.db2.gz MCEAOWTUCNWXJE-AWEZNQCLSA-N 0 0 319.426 3.190 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NC2CCC(C(C)C)CC2)c1 ZINC000764364500 622190003 /nfs/dbraw/zinc/19/00/03/622190003.db2.gz SJKXDVBGFSISAW-UHFFFAOYSA-N 0 0 320.433 3.415 20 10 DGCDRN CC[C@H]([NH2+]CCCNc1ncccn1)c1cccc(Cl)c1[O-] ZINC000806143628 622190099 /nfs/dbraw/zinc/19/00/99/622190099.db2.gz LTBIPQSEYMQJIM-AWEZNQCLSA-N 0 0 320.824 3.379 20 10 DGCDRN O=C(NCCCSc1nccs1)N1CC[C@@H](C2CC2)C1 ZINC000764442759 622194066 /nfs/dbraw/zinc/19/40/66/622194066.db2.gz UENHGLOOPRDLGF-GFCCVEGCSA-N 0 0 311.476 3.067 20 10 DGCDRN Cc1ccc(OCCNC(=O)N[C@H](C)c2ccccc2O)cc1 ZINC000867955400 622197129 /nfs/dbraw/zinc/19/71/29/622197129.db2.gz ZWQLOPKLDAMPJV-CQSZACIVSA-N 0 0 314.385 3.140 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1CCCc2occc21)c1ccccc1O ZINC000868033823 622207504 /nfs/dbraw/zinc/20/75/04/622207504.db2.gz OEIQGUPJIGODFK-BXUZGUMPSA-N 0 0 300.358 3.423 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCCC[C@H]1F ZINC000868111485 622215174 /nfs/dbraw/zinc/21/51/74/622215174.db2.gz CKJXYRHYRSUOJJ-SJORKVTESA-N 0 0 319.424 3.367 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1)c1ccccc1O ZINC000868165223 622220968 /nfs/dbraw/zinc/22/09/68/622220968.db2.gz ZYEJTECMRHLWQG-XFBWCDHKSA-N 0 0 314.360 3.448 20 10 DGCDRN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCc1cc(Br)ccc1O ZINC000868307140 622232539 /nfs/dbraw/zinc/23/25/39/622232539.db2.gz PTSIHNUGICJHEI-NZBQSGDWSA-N 0 0 324.218 3.063 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1C[C@]1(C)c1ccccc1)c1ccccc1O ZINC000868308893 622232821 /nfs/dbraw/zinc/23/28/21/622232821.db2.gz CTNBHDVQZNFSLK-OMWUSAIZSA-N 0 0 310.397 3.483 20 10 DGCDRN CC(C)C[C@@H](C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000764999637 622238661 /nfs/dbraw/zinc/23/86/61/622238661.db2.gz COQIGAIHKIFTLM-HZPDHXFCSA-N 0 0 318.461 3.383 20 10 DGCDRN C[C@H](NC(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1ccccc1O ZINC000868423346 622242774 /nfs/dbraw/zinc/24/27/74/622242774.db2.gz ZHIMRDAQXKACAE-ZHCSWWCTSA-N 0 0 322.408 3.338 20 10 DGCDRN C[C@H](NC(=O)NCCC[C@H]1CCCCO1)c1ccccc1O ZINC000868501260 622250797 /nfs/dbraw/zinc/25/07/97/622250797.db2.gz HDGRTJAYSSAPAU-UONOGXRCSA-N 0 0 306.406 3.102 20 10 DGCDRN C[C@@H](NC(=O)NCC[C@H]1CCCS1)c1ccc(N(C)C)cc1 ZINC000868515655 622252803 /nfs/dbraw/zinc/25/28/03/622252803.db2.gz OSRKBKIVFLIXRH-CZUORRHYSA-N 0 0 321.490 3.399 20 10 DGCDRN [O-]c1c(Br)cccc1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000765283002 622256419 /nfs/dbraw/zinc/25/64/19/622256419.db2.gz YEEQQFNCCGKONQ-GFCCVEGCSA-N 0 0 322.206 3.045 20 10 DGCDRN C[C@H](NC(=O)NC[C@@H]1CC12CCSCC2)c1ccccc1O ZINC000868715082 622276545 /nfs/dbraw/zinc/27/65/45/622276545.db2.gz JJCBCHWGANBPNX-STQMWFEESA-N 0 0 320.458 3.286 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2CC1=Cc2ccccc2OC1 ZINC000765659003 622280132 /nfs/dbraw/zinc/28/01/32/622280132.db2.gz SJMSCJUCUIHTGF-UHFFFAOYSA-N 0 0 322.408 3.427 20 10 DGCDRN C[C@@H](NC(=O)NC[C@H]1CCC2(CCCC2)O1)c1ccccc1O ZINC000868755720 622281314 /nfs/dbraw/zinc/28/13/14/622281314.db2.gz KNDQIEXKYNTFSU-ZIAGYGMSSA-N 0 0 318.417 3.244 20 10 DGCDRN Cc1cc(C(=O)NCc2cccc(Br)c2O)c(C)o1 ZINC000765727811 622284455 /nfs/dbraw/zinc/28/44/55/622284455.db2.gz OVFVHHPGUQQHBB-UHFFFAOYSA-N 0 0 324.174 3.295 20 10 DGCDRN C/C(=C\C(=O)NCc1cccc(Br)c1O)C1CC1 ZINC000765732054 622284699 /nfs/dbraw/zinc/28/46/99/622284699.db2.gz OVVIZTZYHLPJNK-VQHVLOKHSA-N 0 0 310.191 3.127 20 10 DGCDRN O=C(NCc1cccc(Br)c1O)c1ccccc1F ZINC000765755165 622285242 /nfs/dbraw/zinc/28/52/42/622285242.db2.gz HJXJPCLQRNDXLQ-UHFFFAOYSA-N 0 0 324.149 3.224 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](CCO)C(C)C ZINC000765851662 622291252 /nfs/dbraw/zinc/29/12/52/622291252.db2.gz PMLRLYULNPACCI-AWEZNQCLSA-N 0 0 320.458 3.292 20 10 DGCDRN Cc1noc2ncc(NCc3ccc(N(C)C)c(F)c3)cc12 ZINC000765944189 622295418 /nfs/dbraw/zinc/29/54/18/622295418.db2.gz LFCJLRUBEGXIGD-UHFFFAOYSA-N 0 0 300.337 3.348 20 10 DGCDRN CCN(CC)c1ccc(CNc2ncn(C(C)(C)C)n2)cc1 ZINC000765950275 622296164 /nfs/dbraw/zinc/29/61/64/622296164.db2.gz QWHQCVUAXBNPRJ-UHFFFAOYSA-N 0 0 301.438 3.491 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)CC2CCC2)c1 ZINC000868983471 622306159 /nfs/dbraw/zinc/30/61/59/622306159.db2.gz DXFRVSJITLUVRW-VXGBXAGGSA-N 0 0 306.406 3.340 20 10 DGCDRN COC(=O)c1ccoc1CN1CCCCc2cc(OC)ccc21 ZINC000766270920 622316321 /nfs/dbraw/zinc/31/63/21/622316321.db2.gz WXWLLUXGRMZCLJ-UHFFFAOYSA-N 0 0 315.369 3.418 20 10 DGCDRN Cc1cc(C(=O)OC[C@H]2CCCOC2)c(C)n1-c1ccccn1 ZINC000766315566 622321165 /nfs/dbraw/zinc/32/11/65/622321165.db2.gz VIQOHNSPCKVUFH-HNNXBMFYSA-N 0 0 314.385 3.073 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cc(C)sn2)cc1 ZINC000766416061 622327768 /nfs/dbraw/zinc/32/77/68/622327768.db2.gz NBWGKRREFMOVEJ-UHFFFAOYSA-N 0 0 303.431 3.228 20 10 DGCDRN Cc1cc(C(=O)OC[C@H](C)CO)c(C)n1-c1ccc(F)cc1 ZINC000766660867 622345093 /nfs/dbraw/zinc/34/50/93/622345093.db2.gz JOIZYNMHRIDABE-LLVKDONJSA-N 0 0 305.349 3.018 20 10 DGCDRN Cc1cccc(CO[C@@H](C)C(=O)NCc2cc(C)ccc2O)c1 ZINC000869410543 622353276 /nfs/dbraw/zinc/35/32/76/622353276.db2.gz LQBAEQNTFZQPMQ-HNNXBMFYSA-N 0 0 313.397 3.231 20 10 DGCDRN CCc1ccc([C@H](C)C(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000122628087 622367429 /nfs/dbraw/zinc/36/74/29/622367429.db2.gz NOJAFGJCWKCHGX-ZDUSSCGKSA-N 0 0 313.397 3.123 20 10 DGCDRN Cc1ccc(C(=O)N2CC(C)(C)[C@H]2c2ccco2)c(O)c1O ZINC000869786737 622402286 /nfs/dbraw/zinc/40/22/86/622402286.db2.gz BACBQGTZVYGBRO-OAHLLOKOSA-N 0 0 301.342 3.223 20 10 DGCDRN COc1ccc(N2CCN(Cc3c(F)cccc3F)CC2)cc1 ZINC000768140931 622441469 /nfs/dbraw/zinc/44/14/69/622441469.db2.gz ZUAUGXPNEUGISK-UHFFFAOYSA-N 0 0 318.367 3.296 20 10 DGCDRN C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cc(F)cc(F)c1[O-] ZINC000768237337 622447261 /nfs/dbraw/zinc/44/72/61/622447261.db2.gz JOXGOCVYOZOOOZ-LLAGZRPASA-N 0 0 309.356 3.279 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CSc2ccc(F)cc2)cc1 ZINC000018214961 622474323 /nfs/dbraw/zinc/47/43/23/622474323.db2.gz OXLBZJUFDNTTMZ-UHFFFAOYSA-N 0 0 318.417 3.300 20 10 DGCDRN Cc1ccc(SCC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000018221274 622475350 /nfs/dbraw/zinc/47/53/50/622475350.db2.gz XUWGQEVEQLHRSW-UHFFFAOYSA-N 0 0 314.454 3.470 20 10 DGCDRN C[C@@H](CC(=O)NCc1ccc(N2CCCC2)cc1)c1ccncc1 ZINC000768950740 622487551 /nfs/dbraw/zinc/48/75/51/622487551.db2.gz SFWYTHOURHFJNR-INIZCTEOSA-N 0 0 323.440 3.492 20 10 DGCDRN COc1cccc(O)c1CN1CCO[C@H](c2ccccc2F)C1 ZINC000769309312 622516095 /nfs/dbraw/zinc/51/60/95/622516095.db2.gz ULRVEARHPWYGOU-SFHVURJKSA-N 0 0 317.360 3.113 20 10 DGCDRN COc1ccc(N2CCCN(c3cc(C4CC4)ncn3)CC2)cc1 ZINC000881832611 625573037 /nfs/dbraw/zinc/57/30/37/625573037.db2.gz BGPKSIDJKZXWPO-UHFFFAOYSA-N 0 0 324.428 3.079 20 10 DGCDRN O=C(CCSc1ccc(F)cc1)NCc1ccccc1O ZINC000769363486 622520629 /nfs/dbraw/zinc/52/06/29/622520629.db2.gz RGBUCLLAYOMBBV-UHFFFAOYSA-N 0 0 305.374 3.330 20 10 DGCDRN COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CC=CCC1 ZINC000769381120 622522697 /nfs/dbraw/zinc/52/26/97/622522697.db2.gz LDEUYNWKPVERER-CYBMUJFWSA-N 0 0 323.820 3.377 20 10 DGCDRN CCCC[N@H+](CCOC)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769388573 622523650 /nfs/dbraw/zinc/52/36/50/622523650.db2.gz CRDQUJNAGWDMJT-UHFFFAOYSA-N 0 0 316.785 3.202 20 10 DGCDRN C[C@H]1SCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H]1C ZINC000769445593 622528110 /nfs/dbraw/zinc/52/81/10/622528110.db2.gz HKJQVAKWLGOATB-DTWKUNHWSA-N 0 0 316.810 3.280 20 10 DGCDRN COc1ccc(O)c(CN2CCCC[C@H]2C(=O)OC(C)(C)C)c1 ZINC000123426095 622530928 /nfs/dbraw/zinc/53/09/28/622530928.db2.gz XIMZGNHOTXGRDP-HNNXBMFYSA-N 0 0 321.417 3.097 20 10 DGCDRN C[C@@H]1CN(Cc2c(O)cccc2Cl)C[C@H](C(F)(F)F)O1 ZINC000769495444 622533846 /nfs/dbraw/zinc/53/38/46/622533846.db2.gz FTMWOYNESIEADB-PRHODGIISA-N 0 0 309.715 3.197 20 10 DGCDRN CC(C)OC(=O)[C@@H](C)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000769523394 622537801 /nfs/dbraw/zinc/53/78/01/622537801.db2.gz ANUVLONDPVFYRF-MRXNPFEDSA-N 0 0 318.461 3.449 20 10 DGCDRN COc1cccc(O)c1CN1CCc2c(F)cc(F)cc2C1 ZINC000769531498 622538490 /nfs/dbraw/zinc/53/84/90/622538490.db2.gz BXEUBEFGIXZQSI-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN CC[C@@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)c1ncc[nH]1 ZINC000769668754 622548928 /nfs/dbraw/zinc/54/89/28/622548928.db2.gz CCLDQOOMMYFVCP-OAHLLOKOSA-N 0 0 323.400 3.093 20 10 DGCDRN CCN(Cc1nncn1-c1ccccc1)c1ccc(OC)cc1 ZINC000769748596 622557010 /nfs/dbraw/zinc/55/70/10/622557010.db2.gz ZHANTXMWWRZFNV-UHFFFAOYSA-N 0 0 308.385 3.302 20 10 DGCDRN O=C([C@H]1C[C@@H]1c1cc(F)ccc1F)N1Cc2cccc(O)c2C1 ZINC000871202478 622566391 /nfs/dbraw/zinc/56/63/91/622566391.db2.gz IMYHXWHEODKGCG-OCCSQVGLSA-N 0 0 315.319 3.316 20 10 DGCDRN O=C(c1cccc([C@@H]2CCCOC2)c1)N1Cc2cccc(O)c2C1 ZINC000871204297 622567918 /nfs/dbraw/zinc/56/79/18/622567918.db2.gz XMPLBJIADWEJJQ-QGZVFWFLSA-N 0 0 323.392 3.442 20 10 DGCDRN Cc1ccccc1CO[C@H](C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871207263 622568768 /nfs/dbraw/zinc/56/87/68/622568768.db2.gz LRIYLLYEGKARLN-CQSZACIVSA-N 0 0 311.381 3.148 20 10 DGCDRN Cc1ccccc1CO[C@@H](C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871207262 622568799 /nfs/dbraw/zinc/56/87/99/622568799.db2.gz LRIYLLYEGKARLN-AWEZNQCLSA-N 0 0 311.381 3.148 20 10 DGCDRN CC(C)(C)Oc1cccc(C(=O)N2Cc3cccc(O)c3C2)n1 ZINC000871207027 622568863 /nfs/dbraw/zinc/56/88/63/622568863.db2.gz IPNXDAZODIYNLX-UHFFFAOYSA-N 0 0 312.369 3.121 20 10 DGCDRN O=C(C1CCc2ccccc2CC1)N1Cc2cccc(O)c2C1 ZINC000871206628 622569059 /nfs/dbraw/zinc/56/90/59/622569059.db2.gz BXWDPPFVUONHEV-UHFFFAOYSA-N 0 0 307.393 3.430 20 10 DGCDRN Cn1ncc(NCc2cc(Br)ccc2O)c1C1CC1 ZINC000769924424 622578218 /nfs/dbraw/zinc/57/82/18/622578218.db2.gz RWKHLUPVJGYCPS-UHFFFAOYSA-N 0 0 322.206 3.378 20 10 DGCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2cccc(OC)c2F)c1 ZINC000769980442 622585568 /nfs/dbraw/zinc/58/55/68/622585568.db2.gz MCBKBWPCEVBEBB-JTQLQIEISA-N 0 0 319.332 3.500 20 10 DGCDRN CCOc1ccc(O)c(CNc2cc(OC)ccc2OC)c1 ZINC000770409577 622630729 /nfs/dbraw/zinc/63/07/29/622630729.db2.gz MOFSSIGHDBDWFA-UHFFFAOYSA-N 0 0 303.358 3.420 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc2nccn21 ZINC000770417516 622631998 /nfs/dbraw/zinc/63/19/98/622631998.db2.gz CLPPNFBOPAVYFL-UHFFFAOYSA-N 0 0 322.412 3.063 20 10 DGCDRN Cc1cnc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000770614087 622652707 /nfs/dbraw/zinc/65/27/07/622652707.db2.gz CQQDUFFUKMEVPE-LSDHHAIUSA-N 0 0 315.417 3.231 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Cc2cccc(F)c2F)cc1F ZINC000129313319 625584745 /nfs/dbraw/zinc/58/47/45/625584745.db2.gz DFAQDJJJAWDMFK-UHFFFAOYSA-N 0 0 322.330 3.029 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Cc2c(F)cccc2F)cc1F ZINC000129314900 625585062 /nfs/dbraw/zinc/58/50/62/625585062.db2.gz BIKONHJJJNQCJU-UHFFFAOYSA-N 0 0 322.330 3.029 20 10 DGCDRN CN(Cc1cccc(Cl)c1)C(=O)c1c(F)ccc(O)c1O ZINC000789938600 625585458 /nfs/dbraw/zinc/58/54/58/625585458.db2.gz DVCLDTXLGDZZGG-UHFFFAOYSA-N 0 0 309.724 3.163 20 10 DGCDRN C[C@@H]1CN(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)[C@@H]1C ZINC000888585561 622677717 /nfs/dbraw/zinc/67/77/17/622677717.db2.gz MZQABQLUNCIVEG-CHWSQXEVSA-N 0 0 321.384 3.268 20 10 DGCDRN O=C(c1c(F)ccc(O)c1O)N1CCc2c(Cl)cccc2C1 ZINC000789982751 625590266 /nfs/dbraw/zinc/59/02/66/625590266.db2.gz DEXMRTUDDABRIO-UHFFFAOYSA-N 0 0 321.735 3.089 20 10 DGCDRN COc1cccc(NC(=O)N(C)Cc2ccccc2O)c1F ZINC000771251133 622733006 /nfs/dbraw/zinc/73/30/06/622733006.db2.gz ZMZFNWMWEIHVMN-UHFFFAOYSA-N 0 0 304.321 3.204 20 10 DGCDRN C/C=C/C[C@@H](CO)NC(=O)c1sccc1-n1c(C)ccc1C ZINC000771620712 622781270 /nfs/dbraw/zinc/78/12/70/622781270.db2.gz NBSLHLYYWYKLTE-NNTXTVRGSA-N 0 0 318.442 3.213 20 10 DGCDRN Cn1cc(CCNC(=O)C2=CC(=O)CS2)c2ccc(F)cc21 ZINC000771746567 622793168 /nfs/dbraw/zinc/79/31/68/622793168.db2.gz UVMGGRWIJVWXKT-UHFFFAOYSA-N 0 0 318.373 3.057 20 10 DGCDRN O=S(=O)(CC1CCC1)N(Cc1ccccc1O)C1CCCC1 ZINC000771762429 622794707 /nfs/dbraw/zinc/79/47/07/622794707.db2.gz POZASRNGZNMKAP-UHFFFAOYSA-N 0 0 323.458 3.267 20 10 DGCDRN CC(C)COc1ccccc1NC[C@H](O)C[C@](C)(O)C1CC1 ZINC000872212466 622858614 /nfs/dbraw/zinc/85/86/14/622858614.db2.gz GXYSXVZUJZUNSW-QAPCUYQASA-N 0 0 307.434 3.045 20 10 DGCDRN O=S(=O)(Nc1ccc(O)cc1F)c1cc(Cl)ccc1F ZINC000790068132 625600179 /nfs/dbraw/zinc/60/01/79/625600179.db2.gz MXSQDXFGEZIPTB-UHFFFAOYSA-N 0 0 319.716 3.125 20 10 DGCDRN O=C1CCc2ccc(NCCCSc3nccs3)nc21 ZINC000881981949 625600475 /nfs/dbraw/zinc/60/04/75/625600475.db2.gz OHNZUEFPLUSLLD-UHFFFAOYSA-N 0 0 305.428 3.261 20 10 DGCDRN CC[C@@H]1[C@@H](C)CCN1c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000772258979 622875012 /nfs/dbraw/zinc/87/50/12/622875012.db2.gz WEVLMXIXGDZQPI-PIEIZJNZSA-N 0 0 318.373 3.406 20 10 DGCDRN CC[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1cccc(Cl)c1[O-] ZINC000806147226 622915812 /nfs/dbraw/zinc/91/58/12/622915812.db2.gz VJBWKUMHXSJNRJ-QIMFLAQGSA-N 0 0 310.825 3.130 20 10 DGCDRN COc1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)ccc1F ZINC000772995423 622962910 /nfs/dbraw/zinc/96/29/10/622962910.db2.gz BLMIGDLBQUTGML-LBPRGKRZSA-N 0 0 316.376 3.391 20 10 DGCDRN COc1cccc(F)c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000772997631 622963394 /nfs/dbraw/zinc/96/33/94/622963394.db2.gz VANRWJLKEGWFQY-GFCCVEGCSA-N 0 0 316.376 3.391 20 10 DGCDRN C[C@H](NC(=O)CCOc1ccccc1)c1ccc(N(C)C)cc1 ZINC000773010322 622966069 /nfs/dbraw/zinc/96/60/69/622966069.db2.gz TUZVPFNTQZWEKW-HNNXBMFYSA-N 0 0 312.413 3.399 20 10 DGCDRN C[C@H](NC(=O)Cc1noc2ccccc12)c1ccc(N(C)C)cc1 ZINC000773018197 622967852 /nfs/dbraw/zinc/96/78/52/622967852.db2.gz IFOQPJKWLJNXQK-ZDUSSCGKSA-N 0 0 323.396 3.314 20 10 DGCDRN C[C@@H](NC(=O)Cc1noc2ccccc12)c1ccc(N(C)C)cc1 ZINC000773018193 622967994 /nfs/dbraw/zinc/96/79/94/622967994.db2.gz IFOQPJKWLJNXQK-CYBMUJFWSA-N 0 0 323.396 3.314 20 10 DGCDRN C[C@H](NC(=O)[C@@H]1OCCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000773017640 622968224 /nfs/dbraw/zinc/96/82/24/622968224.db2.gz HYNBYIFNPYZVEU-IFXJQAMLSA-N 0 0 324.424 3.244 20 10 DGCDRN Cc1nc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c2ccccn12 ZINC000773018537 622969311 /nfs/dbraw/zinc/96/93/11/622969311.db2.gz VXQZZPBTLTXBLF-CYBMUJFWSA-N 0 0 322.412 3.200 20 10 DGCDRN COc1ccsc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773026738 622969670 /nfs/dbraw/zinc/96/96/70/622969670.db2.gz TXNLOINYIRTYJO-LLVKDONJSA-N 0 0 304.415 3.314 20 10 DGCDRN CC(C)c1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)nn1C ZINC000773028031 622969688 /nfs/dbraw/zinc/96/96/88/622969688.db2.gz XOGTZHJFHLJCJY-CYBMUJFWSA-N 0 0 314.433 3.101 20 10 DGCDRN C[C@H](NC(=O)Cc1ccc(F)cc1F)c1ccc(N(C)C)cc1 ZINC000773026617 622970136 /nfs/dbraw/zinc/97/01/36/622970136.db2.gz SOENEXHDIQEXNH-LBPRGKRZSA-N 0 0 318.367 3.451 20 10 DGCDRN Cc1nc(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000773210221 623000024 /nfs/dbraw/zinc/00/00/24/623000024.db2.gz KBFCHZMNRMCAMD-NSHDSACASA-N 0 0 318.446 3.078 20 10 DGCDRN COC(C)(C)C[C@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773327261 623012713 /nfs/dbraw/zinc/01/27/13/623012713.db2.gz WULWCHVFOSQRSH-KBPBESRZSA-N 0 0 321.465 3.316 20 10 DGCDRN C[C@H](NC(=O)NC[C@@H]1CCCS1)c1ccc(N(C)C)cc1 ZINC000773375806 623018661 /nfs/dbraw/zinc/01/86/61/623018661.db2.gz MDMUKFQWLMEGGH-WFASDCNBSA-N 0 0 307.463 3.008 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCC(C)(C)O ZINC000773388916 623021444 /nfs/dbraw/zinc/02/14/44/623021444.db2.gz ZOFIZQCUHOVVTL-UHFFFAOYSA-N 0 0 306.431 3.046 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1c(O)cccc1F ZINC000773413009 623024216 /nfs/dbraw/zinc/02/42/16/623024216.db2.gz JKTFMWGLSRQVHJ-UHFFFAOYSA-N 0 0 315.344 3.046 20 10 DGCDRN CCc1cnccc1[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000773425788 623025719 /nfs/dbraw/zinc/02/57/19/623025719.db2.gz CYERBBAMRIULLG-NSHDSACASA-N 0 0 301.346 3.109 20 10 DGCDRN CC[C@@H](CSC)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773440872 623028213 /nfs/dbraw/zinc/02/82/13/623028213.db2.gz GZXGVGKTNFNZGJ-JSGCOSHPSA-N 0 0 309.479 3.254 20 10 DGCDRN C[C@H](NC(=O)N1CC[C@@H](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000773615376 623051499 /nfs/dbraw/zinc/05/14/99/623051499.db2.gz WLPPVQAHXLSCGE-XJKSGUPXSA-N 0 0 301.434 3.255 20 10 DGCDRN CC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C[C@@H](C)O1 ZINC000773623367 623052656 /nfs/dbraw/zinc/05/26/56/623052656.db2.gz HUTYISRCBOIGKP-CKEIUWERSA-N 0 0 319.449 3.023 20 10 DGCDRN C[C@@H](NC(=O)NC[C@H]1CCCCS1)c1ccc(N(C)C)cc1 ZINC000773626116 623053239 /nfs/dbraw/zinc/05/32/39/623053239.db2.gz MFXKRLTVMREBLA-CZUORRHYSA-N 0 0 321.490 3.399 20 10 DGCDRN CC1([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC(F)(F)C1 ZINC000873198207 623072473 /nfs/dbraw/zinc/07/24/73/623072473.db2.gz YLLDWMVREZBUJL-UHFFFAOYSA-N 0 0 306.696 3.231 20 10 DGCDRN CCN(C)c1ccc(CN([C@H](C)C(=O)OC)C2CCC2)cc1 ZINC000773888888 623086051 /nfs/dbraw/zinc/08/60/51/623086051.db2.gz RWMQGGDCKNIKEG-CQSZACIVSA-N 0 0 304.434 3.059 20 10 DGCDRN Cc1cncc(/C=C\C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773995312 623097498 /nfs/dbraw/zinc/09/74/98/623097498.db2.gz TZXWIXFNRWHVRL-ANOSYLROSA-N 0 0 309.413 3.347 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2CN1)c1cc(F)cc(F)c1[O-] ZINC000873294268 623106189 /nfs/dbraw/zinc/10/61/89/623106189.db2.gz RKNXCPCNVQIDGD-ABAIWWIYSA-N 0 0 318.367 3.036 20 10 DGCDRN CO[C@H]1C[C@@H](COC(=O)c2sc3nc(C)cc(C)c3c2N)C1 ZINC000873337436 623114580 /nfs/dbraw/zinc/11/45/80/623114580.db2.gz NSILOFHGKGMDFN-PHIMTYICSA-N 0 0 320.414 3.077 20 10 DGCDRN C[C@H](Nc1cnn(CCO)c1)c1cc(Cl)c(Cl)cc1O ZINC000774305149 623129249 /nfs/dbraw/zinc/12/92/49/623129249.db2.gz ZQJCZLIVLLNKPY-QMMMGPOBSA-N 0 0 316.188 3.061 20 10 DGCDRN C[C@@H](N[C@@H](C)c1nc(C2CC2)no1)c1ccc(N(C)C)cc1 ZINC000774484991 623151323 /nfs/dbraw/zinc/15/13/23/623151323.db2.gz UHXWWHRAEBGKSI-NEPJUHHUSA-N 0 0 300.406 3.425 20 10 DGCDRN COc1ccc(O)c([C@@H](C)Nc2cc(C)cc(OCCO)c2)c1 ZINC000774507502 623153408 /nfs/dbraw/zinc/15/34/08/623153408.db2.gz FAPDILRBNKMLNM-CYBMUJFWSA-N 0 0 317.385 3.253 20 10 DGCDRN Cc1ccc2nc(CN3CCOc4cc(N(C)C)ccc43)cn2c1 ZINC000774758173 623188186 /nfs/dbraw/zinc/18/81/86/623188186.db2.gz AIQAAHOLSGSVNO-UHFFFAOYSA-N 0 0 322.412 3.108 20 10 DGCDRN CCC(=CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)CC ZINC000124610270 623205870 /nfs/dbraw/zinc/20/58/70/623205870.db2.gz JRBQVFATCVYLPK-HNNXBMFYSA-N 0 0 316.445 3.447 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000774888669 623205939 /nfs/dbraw/zinc/20/59/39/623205939.db2.gz RTOBALZHAQPIEK-MBNYWOFBSA-N 0 0 320.389 3.462 20 10 DGCDRN COc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)cc1F ZINC000774913548 623207890 /nfs/dbraw/zinc/20/78/90/623207890.db2.gz FASZTMHTSISVDQ-UHFFFAOYSA-N 0 0 322.292 3.069 20 10 DGCDRN COc1c(O)c(CNc2cc(F)ccc2C)ccc1[N+](=O)[O-] ZINC000774935580 623209587 /nfs/dbraw/zinc/20/95/87/623209587.db2.gz PLIFSLVQGWUDKO-UHFFFAOYSA-N 0 0 306.293 3.369 20 10 DGCDRN C[C@@H]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C ZINC000873749715 623210397 /nfs/dbraw/zinc/21/03/97/623210397.db2.gz PFWNWXAMWCEARU-GYSYKLTISA-N 0 0 302.378 3.404 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2coc(C(C)(C)C)n2)cc1 ZINC000873860292 623216981 /nfs/dbraw/zinc/21/69/81/623216981.db2.gz HORYQDDULUVIIV-UHFFFAOYSA-N 0 0 315.417 3.310 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@@H](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000775022888 623217465 /nfs/dbraw/zinc/21/74/65/623217465.db2.gz HMOFQOFRJGGCPY-NSHDSACASA-N 0 0 308.378 3.367 20 10 DGCDRN CCC[C@]1(C(=O)OCC)CCC[N@@H+]1Cc1cccc(C)c1O ZINC000775186028 623239563 /nfs/dbraw/zinc/23/95/63/623239563.db2.gz ZIALXWDARBZLNQ-GOSISDBHSA-N 0 0 305.418 3.398 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1c(F)ccc(F)c1F ZINC000124855147 623245438 /nfs/dbraw/zinc/24/54/38/623245438.db2.gz DHSJKYMUYPOXPH-UHFFFAOYSA-N 0 0 322.330 3.408 20 10 DGCDRN CC(C)OC1(C(=O)NCc2ccc3c(c2)CCCN3C)CCC1 ZINC000874250874 623252356 /nfs/dbraw/zinc/25/23/56/623252356.db2.gz AFVPHTGFCYPYIW-UHFFFAOYSA-N 0 0 316.445 3.033 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)N1C[C@H](C)Oc2c(F)cccc21 ZINC000775414863 623272819 /nfs/dbraw/zinc/27/28/19/623272819.db2.gz MJOWPTMNMIOFFE-YBJDMEARSA-N 0 0 312.344 3.356 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C)CC(N)=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000775513988 623282992 /nfs/dbraw/zinc/28/29/92/623282992.db2.gz PXZOSMLCYNSRIJ-XVKPBYJWSA-N 0 0 305.205 3.004 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cnn(C)c1-c1ccccc1 ZINC000775543328 623286973 /nfs/dbraw/zinc/28/69/73/623286973.db2.gz VLTAEQBHVIQUDW-UHFFFAOYSA-N 0 0 321.380 3.065 20 10 DGCDRN C[C@@H]([NH2+]CCC(C)(C)O)c1cc(Br)cc(F)c1[O-] ZINC000775586567 623293799 /nfs/dbraw/zinc/29/37/99/623293799.db2.gz SIKISIHIEMHPJG-MRVPVSSYSA-N 0 0 320.202 3.105 20 10 DGCDRN CC(C)[N@@H+]1CCCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775637311 623301157 /nfs/dbraw/zinc/30/11/57/623301157.db2.gz PBCYEWLUYXDLTF-UHFFFAOYSA-N 0 0 300.805 3.101 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000775665090 623308514 /nfs/dbraw/zinc/30/85/14/623308514.db2.gz XJOAQZHFJHABBE-CQSZACIVSA-N 0 0 312.816 3.245 20 10 DGCDRN CCCN(Cc1ncc(COC)s1)Cc1ccccc1O ZINC000775667302 623309587 /nfs/dbraw/zinc/30/95/87/623309587.db2.gz IAKJDBWJWNLTMK-UHFFFAOYSA-N 0 0 306.431 3.407 20 10 DGCDRN Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2C2OCCO2)c1O ZINC000775674634 623310735 /nfs/dbraw/zinc/31/07/35/623310735.db2.gz HAIFBCGESJTVJS-AWEZNQCLSA-N 0 0 311.809 3.081 20 10 DGCDRN CC[N@@H+]1C[C@H](C)N(Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1C ZINC000775711988 623317484 /nfs/dbraw/zinc/31/74/84/623317484.db2.gz LQQBZMCJWZGNBZ-QWRGUYRKSA-N 0 0 300.805 3.099 20 10 DGCDRN COc1ncc(/C=C/C(=O)N2CC[C@@H](C)c3ccccc32)cn1 ZINC000775799709 623334157 /nfs/dbraw/zinc/33/41/57/623334157.db2.gz MBBGXKOLGYKTLY-SBDDDAINSA-N 0 0 309.369 3.039 20 10 DGCDRN COc1ncc(/C=C/C(=O)N(C)c2cccc(C(C)C)c2)cn1 ZINC000775819283 623336490 /nfs/dbraw/zinc/33/64/90/623336490.db2.gz GXQDOKUSNCTMBQ-CMDGGOBGSA-N 0 0 311.385 3.285 20 10 DGCDRN CC(C)Cc1noc(CN[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775833968 623339308 /nfs/dbraw/zinc/33/93/08/623339308.db2.gz IWPOGYZHSCXABX-ZDUSSCGKSA-N 0 0 302.422 3.185 20 10 DGCDRN Cc1nccn1C[C@@H](C)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000775905161 623348357 /nfs/dbraw/zinc/34/83/57/623348357.db2.gz HXDZERJLUNULSZ-JTQLQIEISA-N 0 0 311.788 3.116 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000775961326 623358362 /nfs/dbraw/zinc/35/83/62/623358362.db2.gz FEZMDJQMHLANLU-UHFFFAOYSA-N 0 0 317.820 3.331 20 10 DGCDRN C[C@H](NC(=O)N[C@@H](C)c1cccnc1)c1ccc(N(C)C)cc1 ZINC000776101363 623377808 /nfs/dbraw/zinc/37/78/08/623377808.db2.gz XHCJYGYZOARSAF-KBPBESRZSA-N 0 0 312.417 3.269 20 10 DGCDRN CC[C@@H]1[C@H](C)CCN1C(=O)NCc1ccc(N(C)C)cc1C ZINC000776149616 623382986 /nfs/dbraw/zinc/38/29/86/623382986.db2.gz ISGICXBRGBHHDO-CXAGYDPISA-N 0 0 303.450 3.391 20 10 DGCDRN COc1cccc2c1OC[C@H]([NH2+]Cc1cccc(Cl)c1[O-])C2 ZINC000776172669 623388935 /nfs/dbraw/zinc/38/89/35/623388935.db2.gz SILRFKXYVJLETG-CYBMUJFWSA-N 0 0 319.788 3.148 20 10 DGCDRN COc1cccc(NC(=S)NCc2ccc(Cl)cn2)c1 ZINC000776194649 623394507 /nfs/dbraw/zinc/39/45/07/623394507.db2.gz LWKSRZMZOVVBFH-UHFFFAOYSA-N 0 0 307.806 3.230 20 10 DGCDRN COc1ccccc1NC(=S)NCc1ccc(Cl)cn1 ZINC000776196807 623395386 /nfs/dbraw/zinc/39/53/86/623395386.db2.gz YNDWBWDEIHICCQ-UHFFFAOYSA-N 0 0 307.806 3.230 20 10 DGCDRN CC(C)(C)OC(=O)CCC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776218844 623398580 /nfs/dbraw/zinc/39/85/80/623398580.db2.gz CMRLLPONUAJBKZ-UHFFFAOYSA-N 0 0 317.788 3.396 20 10 DGCDRN C[C@H](NC(=O)N(C)Cc1ccncc1)c1ccc(N(C)C)cc1 ZINC000776248917 623400753 /nfs/dbraw/zinc/40/07/53/623400753.db2.gz LJLNLCBMZLSUKL-AWEZNQCLSA-N 0 0 312.417 3.050 20 10 DGCDRN C[C@H](NC(=O)NC12CCC(CC1)C2)c1ccc(N(C)C)cc1 ZINC000776239898 623400761 /nfs/dbraw/zinc/40/07/61/623400761.db2.gz SCSWLNLXGLEFSL-VNSJNIRKSA-N 0 0 301.434 3.446 20 10 DGCDRN CC(C)[C@H](NCc1ccc(N(C)C)c(F)c1)C(=O)OC(C)(C)C ZINC000776251409 623401642 /nfs/dbraw/zinc/40/16/42/623401642.db2.gz HNXHHJPUPCZVAH-INIZCTEOSA-N 0 0 324.440 3.348 20 10 DGCDRN CCc1nn(C)c(CC)c1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776251987 623401847 /nfs/dbraw/zinc/40/18/47/623401847.db2.gz HOSYROVYTPQABA-UHFFFAOYSA-N 0 0 307.825 3.194 20 10 DGCDRN CC(C)[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC000776254684 623402443 /nfs/dbraw/zinc/40/24/43/623402443.db2.gz KIPMYBUXMAKXIP-OCCSQVGLSA-N 0 0 301.789 3.478 20 10 DGCDRN O=C(OCc1ccc(OC(F)F)cc1)c1cccc(O)c1O ZINC000776278870 623406245 /nfs/dbraw/zinc/40/62/45/623406245.db2.gz GSAOXAAZWUMYOR-UHFFFAOYSA-N 0 0 310.252 3.056 20 10 DGCDRN CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cccc(O)c1O ZINC000776320184 623411507 /nfs/dbraw/zinc/41/15/07/623411507.db2.gz LLXDPWNQFKILBT-UHFFFAOYSA-N 0 0 315.413 3.386 20 10 DGCDRN CCOc1cccc(CNC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000875061071 623412954 /nfs/dbraw/zinc/41/29/54/623412954.db2.gz WBWRGAVIQCNCQN-UHFFFAOYSA-N 0 0 312.369 3.016 20 10 DGCDRN O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)c1cccc(O)c1O ZINC000776351195 623415797 /nfs/dbraw/zinc/41/57/97/623415797.db2.gz UXLHSLSCYJCCSA-ZBFHGGJFSA-N 0 0 311.381 3.239 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)/C=C/c1ccc(O)cc1 ZINC000125347581 623431868 /nfs/dbraw/zinc/43/18/68/623431868.db2.gz LBPUYEWETPHLSI-IZZDOVSWSA-N 0 0 310.397 3.096 20 10 DGCDRN COc1ccc([C@H](NC(=O)c2cccc(O)c2O)C(C)C)cc1 ZINC000776612508 623447266 /nfs/dbraw/zinc/44/72/66/623447266.db2.gz CVNDUCOKAFZMMY-MRXNPFEDSA-N 0 0 315.369 3.234 20 10 DGCDRN O=C(NCCCc1ccc(Cl)cc1)c1cccc(O)c1O ZINC000776643639 623448811 /nfs/dbraw/zinc/44/88/11/623448811.db2.gz JNUHLBSFYLVLHE-UHFFFAOYSA-N 0 0 305.761 3.114 20 10 DGCDRN O=S(=O)(Nc1ccc(O)cc1)c1cccc2c1CCCC2 ZINC000776744590 623459097 /nfs/dbraw/zinc/45/90/97/623459097.db2.gz LMIBHQBFAHQXHI-UHFFFAOYSA-N 0 0 303.383 3.072 20 10 DGCDRN O=C(NC(C1CCC1)C1CCC1)N1Cc2cccc(O)c2C1 ZINC000875579703 623467062 /nfs/dbraw/zinc/46/70/62/623467062.db2.gz NTQGTXVUKLTWCT-UHFFFAOYSA-N 0 0 300.402 3.386 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1COCc2ccccc21)c1ccccc1O ZINC000875675818 623478791 /nfs/dbraw/zinc/47/87/91/623478791.db2.gz YCVNLMSRGVIDSK-MLGOLLRUSA-N 0 0 312.369 3.024 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1CCc2ccc(O)cc21)c1ccccc1O ZINC000875744255 623487197 /nfs/dbraw/zinc/48/71/97/623487197.db2.gz YXMNXRJQFKXCFC-ZBEGNZNMSA-N 0 0 312.369 3.146 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)NCC2CC=CC2)C2CC2)cc1 ZINC000875798614 623494867 /nfs/dbraw/zinc/49/48/67/623494867.db2.gz VMEUGVXWJWTTMM-UHFFFAOYSA-N 0 0 313.445 3.393 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000875868011 623501426 /nfs/dbraw/zinc/50/14/26/623501426.db2.gz CGDBOXRKRPOZBY-FHIRATQRSA-N 0 0 320.433 3.126 20 10 DGCDRN C[C@@H](Nc1cccc2c1oc(=O)n2C)c1ccc(N(C)C)cc1 ZINC000777264081 623509901 /nfs/dbraw/zinc/50/99/01/623509901.db2.gz GUYJIGRAHPZFSJ-GFCCVEGCSA-N 0 0 311.385 3.371 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(C)o1 ZINC000876048640 623533668 /nfs/dbraw/zinc/53/36/68/623533668.db2.gz NIIOQSSWYULIES-UHFFFAOYSA-N 0 0 315.417 3.386 20 10 DGCDRN CC(C)c1cc(NCc2ccc(N3CCOCC3)cc2)no1 ZINC000777519191 623534789 /nfs/dbraw/zinc/53/47/89/623534789.db2.gz KGHWSAQTNBTDKE-UHFFFAOYSA-N 0 0 301.390 3.247 20 10 DGCDRN O=C(N[C@H]1CCCOc2cc(F)ccc21)C1=CC(=O)CS1 ZINC000777532646 623536844 /nfs/dbraw/zinc/53/68/44/623536844.db2.gz HKIULHAZRZKCME-LBPRGKRZSA-N 0 0 307.346 3.237 20 10 DGCDRN C[C@H](Nc1ccc2c(c1)C(=O)NCC2)c1ccc(N(C)C)cc1 ZINC000777692281 623556976 /nfs/dbraw/zinc/55/69/76/623556976.db2.gz JRXRJBUXNUHHBJ-ZDUSSCGKSA-N 0 0 309.413 3.212 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CC3(C2)CCCC3)c([N+](=O)[O-])c1 ZINC000777802470 623569990 /nfs/dbraw/zinc/56/99/90/623569990.db2.gz AGBLDSIDVVIWSO-ALCCZGGFSA-N 0 0 316.357 3.161 20 10 DGCDRN CC(C)[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000777968041 623593535 /nfs/dbraw/zinc/59/35/35/623593535.db2.gz KZFIXUPPVSHYDM-INIZCTEOSA-N 0 0 307.434 3.252 20 10 DGCDRN C[C@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000125968045 623625019 /nfs/dbraw/zinc/62/50/19/623625019.db2.gz VLWCMAZGMGALSH-DOTOQJQBSA-N 0 0 313.445 3.441 20 10 DGCDRN Nc1ccc(NC(=O)[C@H]2CCCn3cc(C(F)(F)F)nc32)cc1 ZINC000876504281 623629251 /nfs/dbraw/zinc/62/92/51/623629251.db2.gz LNUPMSTXPVBTRY-NSHDSACASA-N 0 0 324.306 3.000 20 10 DGCDRN C[C@@H](NC(=O)c1cccc(O)c1O)c1ccccc1OC(F)F ZINC000790524861 625664971 /nfs/dbraw/zinc/66/49/71/625664971.db2.gz CUOMGRCRMFPWIB-SECBINFHSA-N 0 0 323.295 3.190 20 10 DGCDRN CCc1nc([C@H]2CCCCN2Cc2c(C)cccc2O)no1 ZINC000876627896 623664075 /nfs/dbraw/zinc/66/40/75/623664075.db2.gz KMCWOQGIWHHJFW-CQSZACIVSA-N 0 0 301.390 3.373 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1CCc2c1cccc2Cl ZINC000778918171 623711014 /nfs/dbraw/zinc/71/10/14/623711014.db2.gz FQYCVMGBRQZVBP-ZDUSSCGKSA-N 0 0 317.772 3.097 20 10 DGCDRN C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCc2ccc(O)c(O)c2)o1 ZINC000778926724 623711689 /nfs/dbraw/zinc/71/16/89/623711689.db2.gz FNODIFLCHMZMQY-FZMZJTMJSA-N 0 0 315.369 3.063 20 10 DGCDRN Cc1ccc(SCC(=O)NCc2ccc(O)c(O)c2)c(C)c1 ZINC000778923096 623711706 /nfs/dbraw/zinc/71/17/06/623711706.db2.gz KOSJSMDITNUJFI-UHFFFAOYSA-N 0 0 317.410 3.123 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1[nH]c2ccccc2c1Cl ZINC000778925977 623712020 /nfs/dbraw/zinc/71/20/20/623712020.db2.gz RWEHFKFACMAWLS-UHFFFAOYSA-N 0 0 316.744 3.163 20 10 DGCDRN Cc1ccc(CNc2ccc(N3CCC(O)CC3)cc2)c(O)c1 ZINC000876822337 623718483 /nfs/dbraw/zinc/71/84/83/623718483.db2.gz TUSBXXDBCHFYRN-UHFFFAOYSA-N 0 0 312.413 3.274 20 10 DGCDRN Cc1cccc(O)c1CNc1cccc(CN2CCCC2=O)c1 ZINC000876822407 623718683 /nfs/dbraw/zinc/71/86/83/623718683.db2.gz WVKACBLEAQFDTG-UHFFFAOYSA-N 0 0 310.397 3.435 20 10 DGCDRN COCCOc1cc(NCc2ccc(C)cc2O)ccc1OC ZINC000876822914 623718981 /nfs/dbraw/zinc/71/89/81/623718981.db2.gz QNBRBJOXGNBASW-UHFFFAOYSA-N 0 0 317.385 3.347 20 10 DGCDRN COc1ccc(NCc2c(C)cccc2O)c(OC)c1OC ZINC000876830806 623722543 /nfs/dbraw/zinc/72/25/43/623722543.db2.gz SCZGXNQBTTXQPL-UHFFFAOYSA-N 0 0 303.358 3.339 20 10 DGCDRN C[C@H](NC(=O)c1ccc2c(c1)CCN2C)c1ccc(N(C)C)cc1 ZINC000779102407 623729907 /nfs/dbraw/zinc/72/99/07/623729907.db2.gz XTMNBBCYJKMOCR-AWEZNQCLSA-N 0 0 323.440 3.236 20 10 DGCDRN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@H]1CCCC[C@@H]1O ZINC000779154993 623735801 /nfs/dbraw/zinc/73/58/01/623735801.db2.gz XVRDFQAPQLYSJS-YGRLFVJLSA-N 0 0 301.789 3.168 20 10 DGCDRN CCn1c2cc(F)ccc2nc1NC(=O)C1=CC(=O)CS1 ZINC000779326379 623760314 /nfs/dbraw/zinc/76/03/14/623760314.db2.gz UXEDGQBONMUPAU-UHFFFAOYSA-N 0 0 305.334 3.215 20 10 DGCDRN CCCN(c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-])C1CC1 ZINC000779426703 623768714 /nfs/dbraw/zinc/76/87/14/623768714.db2.gz HFZXCHHSMNPHAY-UITAMQMPSA-N 0 0 304.346 3.160 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCc1c(F)cccc1Cl ZINC000779500066 623775077 /nfs/dbraw/zinc/77/50/77/623775077.db2.gz PGVSNRZRUGHFKD-ALCCZGGFSA-N 0 0 321.735 3.220 20 10 DGCDRN Cc1ccc2c(c1)CC[C@H]2NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779499613 623775080 /nfs/dbraw/zinc/77/50/80/623775080.db2.gz NPUHDFFYRGQPBQ-VCELZJIISA-N 0 0 309.365 3.223 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccnn1C1CCCC1 ZINC000779509753 623776098 /nfs/dbraw/zinc/77/60/98/623776098.db2.gz HSGHFYBCCRPAQU-SOFGYWHQSA-N 0 0 313.357 3.061 20 10 DGCDRN Cc1ccc2c(c1)[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)CC2 ZINC000779513699 623776803 /nfs/dbraw/zinc/77/68/03/623776803.db2.gz IIDSANKTKAPBRE-UFNQUYMESA-N 0 0 309.365 3.223 20 10 DGCDRN CCOc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)ccc1C ZINC000779514270 623776860 /nfs/dbraw/zinc/77/68/60/623776860.db2.gz NEFRBIVCXXURRX-TWGQIWQCSA-N 0 0 313.353 3.457 20 10 DGCDRN CCC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccn1 ZINC000779513958 623776886 /nfs/dbraw/zinc/77/68/86/623776886.db2.gz ZFZIZDRYJLEEFK-TUPIDYKKSA-N 0 0 312.369 3.164 20 10 DGCDRN CC(C)[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccn1 ZINC000779522158 623777245 /nfs/dbraw/zinc/77/72/45/623777245.db2.gz XBMPFJHSCKMXOX-PDFOZTTASA-N 0 0 312.369 3.020 20 10 DGCDRN CC(C)[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccn1 ZINC000779522157 623777669 /nfs/dbraw/zinc/77/76/69/623777669.db2.gz XBMPFJHSCKMXOX-KOEDOTQGSA-N 0 0 312.369 3.020 20 10 DGCDRN CCC(CC)[C@H](CCNC(=O)/C=C\c1ccc(O)c(O)c1)OC ZINC000779535973 623778314 /nfs/dbraw/zinc/77/83/14/623778314.db2.gz GHGOJVLBGUQDIK-KMDWOBIYSA-N 0 0 321.417 3.069 20 10 DGCDRN COc1ccccc1O[C@H](C)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877073570 623784351 /nfs/dbraw/zinc/78/43/51/623784351.db2.gz NNGYPWVEMCZHJX-LLVKDONJSA-N 0 0 323.339 3.236 20 10 DGCDRN COc1ccc(OCCCC(=O)N(C)c2ccc(N)cc2)cc1 ZINC000877078897 623785767 /nfs/dbraw/zinc/78/57/67/623785767.db2.gz IVAVKRCVBNQSCU-UHFFFAOYSA-N 0 0 314.385 3.099 20 10 DGCDRN CCOC[C@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000779672753 623786413 /nfs/dbraw/zinc/78/64/13/623786413.db2.gz AYHPFQDJFGAUHT-HNNXBMFYSA-N 0 0 321.465 3.098 20 10 DGCDRN [O-]c1c(C[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)ccc(F)c1F ZINC000877089452 623788822 /nfs/dbraw/zinc/78/88/22/623788822.db2.gz QAZGPFVZWZASSL-IIAWOOMASA-N 0 0 301.336 3.346 20 10 DGCDRN O=[N+]([O-])c1c(F)cccc1NNC(=S)Nc1ccccc1F ZINC000790606457 625677015 /nfs/dbraw/zinc/67/70/15/625677015.db2.gz DDYGKHLWBJIALM-UHFFFAOYSA-N 0 0 324.312 3.187 20 10 DGCDRN Cc1ccc(CN[C@H](c2nc(C3CC3)no2)C(C)C)c(O)c1 ZINC000877149467 623808959 /nfs/dbraw/zinc/80/89/59/623808959.db2.gz CQQFANPUEGDUQB-HNNXBMFYSA-N 0 0 301.390 3.448 20 10 DGCDRN COCCn1ncc2ccc(NCc3ccc(C)cc3O)cc21 ZINC000877159810 623810537 /nfs/dbraw/zinc/81/05/37/623810537.db2.gz MAYYBZXOECIJMP-UHFFFAOYSA-N 0 0 311.385 3.309 20 10 DGCDRN COc1ccc(N(C)Cc2ccnn2CC2CCC2)cc1OC ZINC000877343126 623856111 /nfs/dbraw/zinc/85/61/11/623856111.db2.gz VPEFIDKMQZRUQM-UHFFFAOYSA-N 0 0 315.417 3.337 20 10 DGCDRN CN(C)c1ccc(CNc2ccc3ccn(C)c(=O)c3c2)cc1 ZINC000790637624 625681102 /nfs/dbraw/zinc/68/11/02/625681102.db2.gz KDSAJWAPWANAKT-UHFFFAOYSA-N 0 0 307.397 3.217 20 10 DGCDRN COc1c(NCc2cc(C)ccc2O)cc(Cl)cc1C(N)=O ZINC000790650890 625682834 /nfs/dbraw/zinc/68/28/34/625682834.db2.gz ADBITXNQAGBJPT-UHFFFAOYSA-N 0 0 320.776 3.074 20 10 DGCDRN C[C@@H]1CC[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000780296710 623907919 /nfs/dbraw/zinc/90/79/19/623907919.db2.gz CFJIBJHGIJKCFJ-ZBFHGGJFSA-N 0 0 301.434 3.275 20 10 DGCDRN Cc1ccc(CNc2ccc(OC(C)C)c(C(N)=O)c2)c(O)c1 ZINC000877493560 623909996 /nfs/dbraw/zinc/90/99/96/623909996.db2.gz LUCHMLVUSKMPRS-UHFFFAOYSA-N 0 0 314.385 3.199 20 10 DGCDRN C[C@H]1CC[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000780360686 623916573 /nfs/dbraw/zinc/91/65/73/623916573.db2.gz ZWOTWMDSKQATKA-BBRMVZONSA-N 0 0 301.434 3.057 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C2CCC(OC)CC2)cc1 ZINC000780393893 623922559 /nfs/dbraw/zinc/92/25/59/623922559.db2.gz LGJZTSDEHYGZIL-UHFFFAOYSA-N 0 0 318.461 3.354 20 10 DGCDRN [O-]c1c(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)ccc(F)c1F ZINC000877568818 623945805 /nfs/dbraw/zinc/94/58/05/623945805.db2.gz BRDVNZQCTAFWMH-HIFRSBDPSA-N 0 0 320.339 3.075 20 10 DGCDRN CC(C)[C@H]1[N@H+](Cc2ccc(F)c(F)c2[O-])CC12CCOCC2 ZINC000877591310 623954570 /nfs/dbraw/zinc/95/45/70/623954570.db2.gz SINXOAAVZQUFAJ-MRXNPFEDSA-N 0 0 311.372 3.307 20 10 DGCDRN [O-]c1c(C[NH2+][C@@H](CCO)c2ccccc2F)ccc(F)c1F ZINC000877606489 623960473 /nfs/dbraw/zinc/96/04/73/623960473.db2.gz CMLOYXLOQRZCQH-AWEZNQCLSA-N 0 0 311.303 3.023 20 10 DGCDRN Cc1ccc(CN[C@H](C[C@@H]2CCCO2)C(F)(F)F)c(O)c1 ZINC000877618988 623965257 /nfs/dbraw/zinc/96/52/57/623965257.db2.gz LDMGNVNAUQXNHP-GXTWGEPZSA-N 0 0 303.324 3.290 20 10 DGCDRN Cc1ccccc1C[C@@H]1CCCN1C(=O)c1cccc(O)c1O ZINC000790716032 625689034 /nfs/dbraw/zinc/68/90/34/625689034.db2.gz GQNCFIROQLNCLN-HNNXBMFYSA-N 0 0 311.381 3.254 20 10 DGCDRN [O-]c1c(C[NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)ccc(F)c1F ZINC000877639791 623974446 /nfs/dbraw/zinc/97/44/46/623974446.db2.gz GABBZKYMESZEOT-IVMMDQJWSA-N 0 0 305.299 3.237 20 10 DGCDRN COc1cccc([C@@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])OC)c1 ZINC000877647212 623976555 /nfs/dbraw/zinc/97/65/55/623976555.db2.gz BUMKGCDKNRWIPZ-OAHLLOKOSA-N 0 0 323.339 3.156 20 10 DGCDRN [O-]c1c(C[NH2+]C[C@@H]2CCN2C2CCCCC2)ccc(F)c1F ZINC000877650991 623977643 /nfs/dbraw/zinc/97/76/43/623977643.db2.gz QNBXVGKNMCQISE-AWEZNQCLSA-N 0 0 310.388 3.167 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCC(c2ccccc2F)CC1 ZINC000790747267 625692098 /nfs/dbraw/zinc/69/20/98/625692098.db2.gz VZHIBROOOUOKIU-UHFFFAOYSA-N 0 0 315.344 3.257 20 10 DGCDRN Cc1ccc2c(c1)N(Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000780772550 623981470 /nfs/dbraw/zinc/98/14/70/623981470.db2.gz DHTBKQXCTLOEIS-UHFFFAOYSA-N 0 0 308.425 3.394 20 10 DGCDRN COc1ccc([C@@H]([NH2+]Cc2ccc(F)c(F)c2[O-])C2CC2)cn1 ZINC000877661830 623981716 /nfs/dbraw/zinc/98/17/16/623981716.db2.gz IIMXEARQBKIWKV-INIZCTEOSA-N 0 0 320.339 3.315 20 10 DGCDRN COc1ccc(N(C)Cc2ccc(-n3cncn3)cc2)cc1F ZINC000780779401 623982220 /nfs/dbraw/zinc/98/22/20/623982220.db2.gz BRGGGFLTPCHKBU-UHFFFAOYSA-N 0 0 312.348 3.051 20 10 DGCDRN COc1cc(CN(C)c2ccc(OC)c(F)c2)cc2c1OCO2 ZINC000780779527 623982412 /nfs/dbraw/zinc/98/24/12/623982412.db2.gz JTLTVRHAXRBOOR-UHFFFAOYSA-N 0 0 319.332 3.208 20 10 DGCDRN C[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])CC1(C)OCCO1 ZINC000877670440 623985335 /nfs/dbraw/zinc/98/53/35/623985335.db2.gz QCRQPKACOOKGNE-JTQLQIEISA-N 0 0 317.788 3.064 20 10 DGCDRN Cc1ccc(C(=O)NCCSCc2ccccc2)c(O)c1O ZINC000780855869 623990915 /nfs/dbraw/zinc/99/09/15/623990915.db2.gz KUZUGYAHJRBFIN-UHFFFAOYSA-N 0 0 317.410 3.069 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)[C@H]1CCCOC1 ZINC000780861660 623990989 /nfs/dbraw/zinc/99/09/89/623990989.db2.gz UFSMYTKYDOVCSI-HOCLYGCPSA-N 0 0 320.433 3.129 20 10 DGCDRN O=C(Nc1cc(C2CCCCC2)[nH]n1)c1cccc(O)c1O ZINC000790744956 625692119 /nfs/dbraw/zinc/69/21/19/625692119.db2.gz GJSVBQOHBGSRRI-UHFFFAOYSA-N 0 0 301.346 3.121 20 10 DGCDRN Cc1nn(-c2ccccn2)c(C)c1CN1Cc2cccc(O)c2C1 ZINC000877702576 623997441 /nfs/dbraw/zinc/99/74/41/623997441.db2.gz BZXHTSHAXMKBAU-UHFFFAOYSA-N 0 0 320.396 3.106 20 10 DGCDRN CCO[C@@H](CCNC(=O)c1ccc(C)c(O)c1O)C1CCCC1 ZINC000780964416 624004916 /nfs/dbraw/zinc/00/49/16/624004916.db2.gz UKSMXRXNISZSOI-HNNXBMFYSA-N 0 0 321.417 3.121 20 10 DGCDRN Cc1ccc(C(=O)N2CCC[C@H]2c2ccc(O)cc2)c(O)c1O ZINC000780968791 624005781 /nfs/dbraw/zinc/00/57/81/624005781.db2.gz KIQARAJGMSJOJK-HNNXBMFYSA-N 0 0 313.353 3.089 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000877727615 624006209 /nfs/dbraw/zinc/00/62/09/624006209.db2.gz CYPZENUPWXPRRV-LBPRGKRZSA-N 0 0 313.800 3.481 20 10 DGCDRN CCSCc1ccnc(NC(=O)c2ccc(C)c(O)c2O)c1 ZINC000780998215 624008824 /nfs/dbraw/zinc/00/88/24/624008824.db2.gz ZDSPYXSVDDPJEB-UHFFFAOYSA-N 0 0 318.398 3.307 20 10 DGCDRN Cc1ccc(C(=O)Nc2cn(C)nc2-c2ccccc2)c(O)c1O ZINC000781012924 624009814 /nfs/dbraw/zinc/00/98/14/624009814.db2.gz JEPSOGIXPOVQQG-UHFFFAOYSA-N 0 0 323.352 3.059 20 10 DGCDRN CC1(C)CCc2onc(CNCc3cc(F)ccc3O)c2C1 ZINC000877810347 624042417 /nfs/dbraw/zinc/04/24/17/624042417.db2.gz RTYJOSUHZFSTBT-UHFFFAOYSA-N 0 0 304.365 3.324 20 10 DGCDRN Cc1cccc(CNCc2noc3c2CC(C)(C)CC3)c1O ZINC000877810557 624042433 /nfs/dbraw/zinc/04/24/33/624042433.db2.gz WJNGJLRQPMSHNY-UHFFFAOYSA-N 0 0 300.402 3.493 20 10 DGCDRN Cc1csc([C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3[O-])C2)n1 ZINC000877813192 624044212 /nfs/dbraw/zinc/04/42/12/624044212.db2.gz DWVNBILWGOCVLT-LLVKDONJSA-N 0 0 310.369 3.425 20 10 DGCDRN COC(=O)CC[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000877818959 624050243 /nfs/dbraw/zinc/05/02/43/624050243.db2.gz UCRGHUMDHCFNAZ-LBPRGKRZSA-N 0 0 311.809 3.211 20 10 DGCDRN O=C1N[C@H](c2cc(Cl)ccc2O)Nc2cc(F)c(F)cc21 ZINC000877857997 624071524 /nfs/dbraw/zinc/07/15/24/624071524.db2.gz AJLSTOCJJZCGIN-CYBMUJFWSA-N 0 0 310.687 3.178 20 10 DGCDRN Cc1ccc2c(c1)C(=O)N[C@H](c1cc(F)c(N(C)C)cc1F)N2 ZINC000877863772 624074035 /nfs/dbraw/zinc/07/40/35/624074035.db2.gz TVGLHYBJFJNLHL-MRXNPFEDSA-N 0 0 317.339 3.193 20 10 DGCDRN COc1ccc(N2CCN(C(=O)[C@H]3CCC(C)(C)C3)CC2)cc1 ZINC000781559588 624093407 /nfs/dbraw/zinc/09/34/07/624093407.db2.gz NYXYZJKHAKYBJK-HNNXBMFYSA-N 0 0 316.445 3.170 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2cnn(C(C)(C)C)c2)cc1 ZINC000126810303 624112759 /nfs/dbraw/zinc/11/27/59/624112759.db2.gz AXHRSBWDHSCZPR-UHFFFAOYSA-N 0 0 315.421 3.026 20 10 DGCDRN CO[C@@H]1CCC[N@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781895764 624166786 /nfs/dbraw/zinc/16/67/86/624166786.db2.gz DKTQBGXVEPJNJR-GFCCVEGCSA-N 0 0 314.223 3.074 20 10 DGCDRN CC[C@@H]1C[C@@H](CC(=O)N[C@@H](C)c2cc(OC)ccc2O)CCO1 ZINC000782016188 624188068 /nfs/dbraw/zinc/18/80/68/624188068.db2.gz YYENGCXVCGAFEH-MELADBBJSA-N 0 0 321.417 3.173 20 10 DGCDRN O=C(NCc1ccccc1O)c1ccc(OC2CCCC2)nc1 ZINC000782013172 624188078 /nfs/dbraw/zinc/18/80/78/624188078.db2.gz GQRQUVWQWHINRJ-UHFFFAOYSA-N 0 0 312.369 3.039 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCC(C)(C)O2)cc1 ZINC000782073498 624199391 /nfs/dbraw/zinc/19/93/91/624199391.db2.gz ZKMWDDZWAIHJQH-QGZVFWFLSA-N 0 0 318.461 3.449 20 10 DGCDRN CCN(C[C@@H]1CC2(CO1)CCOCC2)c1ccc(OC)cc1 ZINC000878218856 624219413 /nfs/dbraw/zinc/21/94/13/624219413.db2.gz AMSDJTCBROBVID-KRWDZBQOSA-N 0 0 305.418 3.107 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cc(C(F)F)n[nH]2)cc1 ZINC000878301309 624239827 /nfs/dbraw/zinc/23/98/27/624239827.db2.gz WEKBCGSGZBQFDL-UHFFFAOYSA-N 0 0 322.359 3.124 20 10 DGCDRN C[C@H](NC(=O)Nc1nnc(C(F)F)s1)c1ccccc1O ZINC000878451144 624281529 /nfs/dbraw/zinc/28/15/29/624281529.db2.gz HWOHCDOYPVXEHB-LURJTMIESA-N 0 0 314.317 3.064 20 10 DGCDRN CSCc1cc(F)ccc1CNC(=O)c1cccc(O)c1O ZINC000790874704 625711159 /nfs/dbraw/zinc/71/11/59/625711159.db2.gz UFQWYXFJMLUXJZ-UHFFFAOYSA-N 0 0 321.373 3.030 20 10 DGCDRN O=C(NCc1ccccc1O)C1(c2cccnc2)CC2(CCC2)C1 ZINC000878559801 624308040 /nfs/dbraw/zinc/30/80/40/624308040.db2.gz SFHQYGQDSJEDLP-UHFFFAOYSA-N 0 0 322.408 3.306 20 10 DGCDRN COc1cccc([C@H](C)OC(=O)c2ccc(C)c(O)c2O)c1 ZINC000783345497 624338931 /nfs/dbraw/zinc/33/89/31/624338931.db2.gz SXTZDZFUXUWREH-NSHDSACASA-N 0 0 302.326 3.333 20 10 DGCDRN CCC1=C(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCCO1 ZINC000790913168 625714602 /nfs/dbraw/zinc/71/46/02/625714602.db2.gz LEEULXFLEAFZGC-CYBMUJFWSA-N 0 0 302.418 3.404 20 10 DGCDRN CNC(=O)CCOc1ccc(N[C@@H](C)c2ccccc2O)cc1 ZINC000783532798 624362673 /nfs/dbraw/zinc/36/26/73/624362673.db2.gz VGODDNOVUVYKHV-ZDUSSCGKSA-N 0 0 314.385 3.080 20 10 DGCDRN O=C(NCCCSc1nccs1)[C@H]1CCCCS1 ZINC000783576430 624368389 /nfs/dbraw/zinc/36/83/89/624368389.db2.gz LZRIQYSKWHDIHM-SNVBAGLBSA-N 0 0 302.490 3.027 20 10 DGCDRN COc1ccc(O)c(CNC(=O)CC(C)(C)CC(F)F)c1 ZINC000878852671 624372516 /nfs/dbraw/zinc/37/25/16/624372516.db2.gz USUIRKISTQZUGR-UHFFFAOYSA-N 0 0 301.333 3.089 20 10 DGCDRN COc1ccc(CN[C@H](c2cnn(C)c2)C(F)(F)F)cc1C ZINC000783671072 624381801 /nfs/dbraw/zinc/38/18/01/624381801.db2.gz DKYBZKKGNJNQCG-CQSZACIVSA-N 0 0 313.323 3.130 20 10 DGCDRN CCc1cnc(/C=C2\SC(N3CCCCC3)=NC2=O)s1 ZINC000783700856 624384635 /nfs/dbraw/zinc/38/46/35/624384635.db2.gz VVKJTKMPOQGGAD-FLIBITNWSA-N 0 0 307.444 3.162 20 10 DGCDRN OC[C@@H]1CC(F)(F)CN1Cc1cc(-c2ccccc2)ccc1O ZINC000783703015 624385355 /nfs/dbraw/zinc/38/53/55/624385355.db2.gz OFVDKJVFBASHFQ-INIZCTEOSA-N 0 0 319.351 3.261 20 10 DGCDRN CCCC[C@H](CC)CC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783713247 624385852 /nfs/dbraw/zinc/38/58/52/624385852.db2.gz ZUEGULRQPIJGQY-LBPRGKRZSA-N 0 0 308.374 3.430 20 10 DGCDRN COc1cnccc1[C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000783743785 624390622 /nfs/dbraw/zinc/39/06/22/624390622.db2.gz JWYVLDVVWIOJCT-SECBINFHSA-N 0 0 310.756 3.439 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N(C)C[C@H]2CC=CCC2)cc1 ZINC000783926899 624409909 /nfs/dbraw/zinc/40/99/09/624409909.db2.gz JZLVZTQWNHTYGL-INIZCTEOSA-N 0 0 301.434 3.250 20 10 DGCDRN CCOC(=O)c1ccccc1N(C)C(=O)/C=C/c1cnccc1C ZINC000783959839 624413434 /nfs/dbraw/zinc/41/34/34/624413434.db2.gz ROQIOQIHFGXFKG-MDZDMXLPSA-N 0 0 324.380 3.243 20 10 DGCDRN CCOc1ccc(N(C[C@@H](OC)[C@H]2CCOC2)CC2CC2)cc1 ZINC000879117063 624431006 /nfs/dbraw/zinc/43/10/06/624431006.db2.gz IJURXKFFRCBSCJ-QFBILLFUSA-N 0 0 319.445 3.353 20 10 DGCDRN CCOc1ccc(N(C[C@H](OC)[C@H]2CCOC2)CC2CC2)cc1 ZINC000879117062 624431428 /nfs/dbraw/zinc/43/14/28/624431428.db2.gz IJURXKFFRCBSCJ-LPHOPBHVSA-N 0 0 319.445 3.353 20 10 DGCDRN CC[C@H](C(=O)NCc1cc(OC)ccc1O)c1ccc(F)cc1 ZINC000127524226 624434942 /nfs/dbraw/zinc/43/49/42/624434942.db2.gz OBAMWRYTXYQUOY-INIZCTEOSA-N 0 0 317.360 3.350 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1nc2c(cccc2F)o1 ZINC000784365108 624512137 /nfs/dbraw/zinc/51/21/37/624512137.db2.gz DDWXJBMFDFCOEC-VIFPVBQESA-N 0 0 302.305 3.421 20 10 DGCDRN CC1(C)CCC[C@@H](CC(=O)OCC(=O)c2ccc(O)c(O)c2)C1 ZINC000784377636 624514149 /nfs/dbraw/zinc/51/41/49/624514149.db2.gz AFHQGLLACUGRMI-LBPRGKRZSA-N 0 0 320.385 3.430 20 10 DGCDRN COC(=O)COc1ccc(N(C)C/C=C\c2ccccc2)cc1 ZINC000784561823 624547772 /nfs/dbraw/zinc/54/77/72/624547772.db2.gz TWTOXLLVEXHMOK-TWGQIWQCSA-N 0 0 311.381 3.388 20 10 DGCDRN COC(=O)COc1ccc(N(C)Cc2ccc(CF)cc2)cc1 ZINC000784554472 624548233 /nfs/dbraw/zinc/54/82/33/624548233.db2.gz BOGIMLXXQRPNEI-UHFFFAOYSA-N 0 0 317.360 3.344 20 10 DGCDRN COC(=O)COc1ccc(N(C)Cc2ccc(F)cc2F)cc1 ZINC000784559999 624548372 /nfs/dbraw/zinc/54/83/72/624548372.db2.gz TXJYVVSRNBNQSB-UHFFFAOYSA-N 0 0 321.323 3.153 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@]2(C)CCO[C@H]2C)c1 ZINC000784640121 624563962 /nfs/dbraw/zinc/56/39/62/624563962.db2.gz LKCZJGMDCLCPGF-IINYFYTJSA-N 0 0 314.223 3.120 20 10 DGCDRN CO[C@@H](C)C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000785571868 624682797 /nfs/dbraw/zinc/68/27/97/624682797.db2.gz BWQUZEAMCFGEJS-JGVFFNPUSA-N 0 0 322.630 3.494 20 10 DGCDRN CCOc1ccc(CNc2ccc3ccc(=O)n(C)c3c2)c(O)c1 ZINC000785536817 624682899 /nfs/dbraw/zinc/68/28/99/624682899.db2.gz JVIFDIBTVUTFPI-UHFFFAOYSA-N 0 0 324.380 3.255 20 10 DGCDRN C[C@@H](Cc1ccccc1)NC(=S)N(C)Cc1ccccc1O ZINC000786060856 624788300 /nfs/dbraw/zinc/78/83/00/624788300.db2.gz JCTGYYMQGSNXGM-AWEZNQCLSA-N 0 0 314.454 3.330 20 10 DGCDRN COc1cc(C)cc(NC(=O)NCc2ccccc2O)c1C ZINC000786138822 624809605 /nfs/dbraw/zinc/80/96/05/624809605.db2.gz ALLPJTPDPKJRGD-UHFFFAOYSA-N 0 0 300.358 3.339 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc[nH]c2C2CC2)c1 ZINC000786410253 624874198 /nfs/dbraw/zinc/87/41/98/624874198.db2.gz SFBXWSMFJXAJPY-JTQLQIEISA-N 0 0 300.358 3.097 20 10 DGCDRN CN(C)c1ccc(OCC(=O)Nc2cc(F)cc(F)c2)cc1 ZINC000786875386 624959939 /nfs/dbraw/zinc/95/99/39/624959939.db2.gz DHJSCRIUIVCVGF-UHFFFAOYSA-N 0 0 306.312 3.048 20 10 DGCDRN COc1ccc(O)c([C@@H](C)Nc2ccc3ccc(=O)n(C)c3c2)c1 ZINC000786942410 624966427 /nfs/dbraw/zinc/96/64/27/624966427.db2.gz VSJNABOQHKLKNX-GFCCVEGCSA-N 0 0 324.380 3.426 20 10 DGCDRN Cc1c(Cl)cccc1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000787077512 624976501 /nfs/dbraw/zinc/97/65/01/624976501.db2.gz JMNHVBLAXOTFHY-UHFFFAOYSA-N 0 0 320.728 3.099 20 10 DGCDRN CC(=Cc1cccc([N+](=O)[O-])c1)C=C1SC(=S)NC1=O ZINC000787166552 624984521 /nfs/dbraw/zinc/98/45/21/624984521.db2.gz ATXFFAWOTQUQJJ-IGJCCDITSA-N 0 0 306.368 3.030 20 10 DGCDRN COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@@H]1C ZINC000787420681 625008786 /nfs/dbraw/zinc/00/87/86/625008786.db2.gz KNMLHKLBSPVIPU-KCJUWKMLSA-N 0 0 318.200 3.082 20 10 DGCDRN Cc1cccc(OCCCNC(=O)C2=CC(=O)CS2)c1C ZINC000787929736 625074896 /nfs/dbraw/zinc/07/48/96/625074896.db2.gz MDFVDZXZIFFODC-UHFFFAOYSA-N 0 0 305.399 3.269 20 10 DGCDRN Cc1cc(CNC(=O)Cc2cnc(C)o2)c(C)n1-c1ccccc1 ZINC000880856072 625076055 /nfs/dbraw/zinc/07/60/55/625076055.db2.gz YVXKSWHSHVFKPI-UHFFFAOYSA-N 0 0 323.396 3.249 20 10 DGCDRN CC(C)[C@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])c1ccnn1C ZINC000788258786 625105581 /nfs/dbraw/zinc/10/55/81/625105581.db2.gz IWXVWLPOVCYDNC-RISCZKNCSA-N 0 0 323.387 3.494 20 10 DGCDRN CC(=O)c1cc(F)cc(Cn2cc(C=CC(C)C)nn2)c1O ZINC000880996031 625195591 /nfs/dbraw/zinc/19/55/91/625195591.db2.gz MHYIYGVETAYCRJ-SNAWJCMRSA-N 0 0 303.337 3.043 20 10 DGCDRN CC(=O)c1cc(Cl)cc(Cn2cc(C(C)(C)C)nn2)c1O ZINC000880999315 625195809 /nfs/dbraw/zinc/19/58/09/625195809.db2.gz KPPABOAICLEOLE-UHFFFAOYSA-N 0 0 307.781 3.186 20 10 DGCDRN CCC(C)(C)c1cn(Cc2cc(F)cc(C(C)=O)c2O)nn1 ZINC000880996091 625195844 /nfs/dbraw/zinc/19/58/44/625195844.db2.gz OIPWLWFIRCCUIQ-UHFFFAOYSA-N 0 0 305.353 3.061 20 10 DGCDRN CC(C)C[C@@H](CO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788564582 625217127 /nfs/dbraw/zinc/21/71/27/625217127.db2.gz WTXAQMPRUJIHBT-MNOVXSKESA-N 0 0 305.340 3.469 20 10 DGCDRN C[C@H](CC[S@@](C)=O)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788669815 625238894 /nfs/dbraw/zinc/23/88/94/625238894.db2.gz PNFWOCYEXBHTPZ-QONUSYMYSA-N 0 0 323.380 3.219 20 10 DGCDRN C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000788763485 625261756 /nfs/dbraw/zinc/26/17/56/625261756.db2.gz IZICROYZVQVTHX-KPXOXKRLSA-N 0 0 303.324 3.221 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CC[C@@H](O)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000788774370 625262526 /nfs/dbraw/zinc/26/25/26/625262526.db2.gz CREUKYHKKZBQJP-GARJFASQSA-N 0 0 303.324 3.223 20 10 DGCDRN C/C=C(\CC)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000788832372 625276808 /nfs/dbraw/zinc/27/68/08/625276808.db2.gz OAODUBMPHHAVKY-DIVFHCTNSA-N 0 0 302.418 3.057 20 10 DGCDRN C/C=C(/CC)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000788832373 625276877 /nfs/dbraw/zinc/27/68/77/625276877.db2.gz OAODUBMPHHAVKY-DVWGGOINSA-N 0 0 302.418 3.057 20 10 DGCDRN C[C@H]([NH2+]CCC1(O)CCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788826871 625277008 /nfs/dbraw/zinc/27/70/08/625277008.db2.gz HITPEOXDLYOMLE-JTQLQIEISA-N 0 0 303.324 3.367 20 10 DGCDRN Cc1cc(C)c(Cn2cc(COc3ccc(N)cc3)nn2)c(C)c1 ZINC000881194032 625278644 /nfs/dbraw/zinc/27/86/44/625278644.db2.gz MCOPFXNDMSOEBN-UHFFFAOYSA-N 0 0 322.412 3.413 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCc1ccc2c(c1)OCO2 ZINC000790947164 625720320 /nfs/dbraw/zinc/72/03/20/625720320.db2.gz JXQDYADSXZCBLW-UHFFFAOYSA-N 0 0 323.751 3.246 20 10 DGCDRN C[C@@H](COCC(F)(F)F)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790961913 625723625 /nfs/dbraw/zinc/72/36/25/625723625.db2.gz DOYZIWVZIYJUNH-ZETCQYMHSA-N 0 0 315.694 3.242 20 10 DGCDRN CC[C@](C)(CC(=O)OC)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790973587 625726892 /nfs/dbraw/zinc/72/68/92/625726892.db2.gz ODSFRZRVWMRQCU-CQSZACIVSA-N 0 0 303.761 3.006 20 10 DGCDRN C[C@@]1(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CCO[C@H]1C1CC1 ZINC000790990917 625731964 /nfs/dbraw/zinc/73/19/64/625731964.db2.gz NIYHYKLIBAZOLH-HOTGVXAUSA-N 0 0 313.800 3.480 20 10 DGCDRN Cc1cc2n[nH]cc2cc1NCc1ccc(N2CCOCC2)cc1 ZINC000790997080 625734682 /nfs/dbraw/zinc/73/46/82/625734682.db2.gz LFHOQJFLXFYFKD-UHFFFAOYSA-N 0 0 322.412 3.320 20 10 DGCDRN CCOC(=O)c1c2c(sc1NC(=O)CCC(C)=O)CCCC2 ZINC000791020304 625739824 /nfs/dbraw/zinc/73/98/24/625739824.db2.gz MWSSUURCJOQWLK-UHFFFAOYSA-N 0 0 323.414 3.111 20 10 DGCDRN O=C(Nc1cc(-c2ccccc2F)on1)c1cccc(O)c1O ZINC000791045375 625743447 /nfs/dbraw/zinc/74/34/47/625743447.db2.gz UAAPMGGRFOSFLQ-UHFFFAOYSA-N 0 0 314.272 3.144 20 10 DGCDRN CC(C)OC1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000130119524 625815670 /nfs/dbraw/zinc/81/56/70/625815670.db2.gz LLOUVQZJXKCYQG-UHFFFAOYSA-N 0 0 308.378 3.126 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000882879031 625842385 /nfs/dbraw/zinc/84/23/85/625842385.db2.gz DKBVLMIAMFLGRE-HNNXBMFYSA-N 0 0 322.355 3.190 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000882946866 625869645 /nfs/dbraw/zinc/86/96/45/625869645.db2.gz ZDQWCPLVMMLFJO-UHFFFAOYSA-N 0 0 320.339 3.144 20 10 DGCDRN C[N@H+](Cc1cccc(Br)c1[O-])[C@H]1CCSC1 ZINC000130576248 625875549 /nfs/dbraw/zinc/87/55/49/625875549.db2.gz CUGRHJMDYNEXOB-JTQLQIEISA-N 0 0 302.237 3.092 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCCCNc1ccccn1 ZINC000882968036 625879156 /nfs/dbraw/zinc/87/91/56/625879156.db2.gz AVCKZEROKVKSSJ-UHFFFAOYSA-N 0 0 307.344 3.047 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@@H](O)c1ccc(F)cc1 ZINC000883003793 625894946 /nfs/dbraw/zinc/89/49/46/625894946.db2.gz HXONSJOEPJETFI-RFAUZJTJSA-N 0 0 311.303 3.021 20 10 DGCDRN CC[N@@H+]1CC[C@H](N(C)Cc2c([O-])ccc(Cl)c2F)C[C@H]1C ZINC000792164630 625917637 /nfs/dbraw/zinc/91/76/37/625917637.db2.gz AVSOHJBHSCFREJ-NEPJUHHUSA-N 0 0 314.832 3.489 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000792166311 625918187 /nfs/dbraw/zinc/91/81/87/625918187.db2.gz VAJCYSUNEFEGTP-LLVKDONJSA-N 0 0 309.772 3.218 20 10 DGCDRN CCN(C)c1ccc(CN(C)c2ccc(OC)c(OC)c2)cn1 ZINC000792174021 625919305 /nfs/dbraw/zinc/91/93/05/625919305.db2.gz CMNPUGPTVZZHEB-UHFFFAOYSA-N 0 0 315.417 3.191 20 10 DGCDRN Cc1ccc([C@H](O)[C@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC000883117725 625932753 /nfs/dbraw/zinc/93/27/53/625932753.db2.gz GPBYCCBEOMMWRZ-MEDUHNTESA-N 0 0 307.340 3.191 20 10 DGCDRN COc1ccc(-n2c(C)cc(C(=O)N3CC(C)(F)C3)c2C)cc1 ZINC000792524656 625952033 /nfs/dbraw/zinc/95/20/33/625952033.db2.gz ZDZOYVMPZUDKKC-UHFFFAOYSA-N 0 0 316.376 3.287 20 10 DGCDRN C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)C1CCC1 ZINC000131199913 625963437 /nfs/dbraw/zinc/96/34/37/625963437.db2.gz BAZPJYQLBOSRGA-GFCCVEGCSA-N 0 0 302.418 3.259 20 10 DGCDRN COc1ccc2c(c1)CCCN2CC(=O)N[C@H]1CCCC[C@H]1C ZINC000796305419 626036981 /nfs/dbraw/zinc/03/69/81/626036981.db2.gz LCAXKPWWBAKAFE-PBHICJAKSA-N 0 0 316.445 3.143 20 10 DGCDRN COc1ccc(N(CCC(C)C)CC(=O)N(C)C2CC2)cc1 ZINC000796501960 626056701 /nfs/dbraw/zinc/05/67/01/626056701.db2.gz AIUMXNLSHIYYEE-UHFFFAOYSA-N 0 0 304.434 3.169 20 10 DGCDRN CO[C@@H](C)CN(C)CC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000796641949 626069510 /nfs/dbraw/zinc/06/95/10/626069510.db2.gz NHKCWOJAYJUPEB-HNNXBMFYSA-N 0 0 314.429 3.244 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000796704156 626075184 /nfs/dbraw/zinc/07/51/84/626075184.db2.gz XKFXLMYXBSCMFZ-MAUKXSAKSA-N 0 0 317.404 3.423 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H]1CSCCS1)c1ccc(F)cc1[O-] ZINC000796792332 626083725 /nfs/dbraw/zinc/08/37/25/626083725.db2.gz GSNGEZHYDYMVES-YPMHNXCESA-N 0 0 301.452 3.421 20 10 DGCDRN CC[C@@H](Nc1cccc(C(N)=O)c1OC)c1ccc(F)cc1O ZINC000796935910 626097408 /nfs/dbraw/zinc/09/74/08/626097408.db2.gz HTGBJKJJSWNXLA-CYBMUJFWSA-N 0 0 318.348 3.202 20 10 DGCDRN CCc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000797020623 626104906 /nfs/dbraw/zinc/10/49/06/626104906.db2.gz WEKIMLZBYKITKQ-KZULUSFZSA-N 0 0 303.377 3.478 20 10 DGCDRN COc1ccc(N(C)Cc2ccc([N+](=O)[O-])cc2OC)cc1F ZINC000797519148 626150770 /nfs/dbraw/zinc/15/07/70/626150770.db2.gz WWVOLCWDTKTGMZ-UHFFFAOYSA-N 0 0 320.320 3.388 20 10 DGCDRN CC1=C[C@H](C)CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000797518582 626150988 /nfs/dbraw/zinc/15/09/88/626150988.db2.gz CJMRGILIJRFJLL-ZFWWWQNUSA-N 0 0 301.434 3.421 20 10 DGCDRN CCc1ccccc1NC(=O)NCc1ccc(OC)cc1O ZINC000797608665 626159957 /nfs/dbraw/zinc/15/99/57/626159957.db2.gz VFLULCSMGUONTP-UHFFFAOYSA-N 0 0 300.358 3.285 20 10 DGCDRN COc1ccc(CNC(=O)Nc2ccc3[nH]ccc3c2)c(O)c1 ZINC000797621119 626160563 /nfs/dbraw/zinc/16/05/63/626160563.db2.gz ZAQHUCSJSURQIW-UHFFFAOYSA-N 0 0 311.341 3.204 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2cccc(F)c2SC)c1 ZINC000797942531 626183071 /nfs/dbraw/zinc/18/30/71/626183071.db2.gz ULHXDEFUOQTYDG-UHFFFAOYSA-N 0 0 321.373 3.192 20 10 DGCDRN O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)c1cccc(O)c1O ZINC000798018200 626189455 /nfs/dbraw/zinc/18/94/55/626189455.db2.gz UUGKOMFHTDBHTE-GXFFZTMASA-N 0 0 321.735 3.176 20 10 DGCDRN CCN(CC)CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000798179946 626199846 /nfs/dbraw/zinc/19/98/46/626199846.db2.gz UOABEKOWWBFZGX-NSHDSACASA-N 0 0 304.356 3.403 20 10 DGCDRN COC(=O)/C(=C/c1ccc(N2CCCCC2)cc1)c1ncccn1 ZINC000798229907 626203427 /nfs/dbraw/zinc/20/34/27/626203427.db2.gz ITQGGCOURQUWFS-SAPNQHFASA-N 0 0 323.396 3.181 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CCC[C@@H]1C ZINC000798416745 626217010 /nfs/dbraw/zinc/21/70/10/626217010.db2.gz PTJUFQWUQSJKSH-DZGCQCFKSA-N 0 0 303.450 3.296 20 10 DGCDRN C[C@H](NC(=O)c1cnc2cnccc2c1)c1ccc(N(C)C)cc1 ZINC000798502231 626221727 /nfs/dbraw/zinc/22/17/27/626221727.db2.gz QSJAGVIEUHYSRD-ZDUSSCGKSA-N 0 0 320.396 3.187 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CCC[C@H]2C)c1 ZINC000798510120 626222547 /nfs/dbraw/zinc/22/25/47/626222547.db2.gz KNBMVUFJFWQBLM-FRRDWIJNSA-N 0 0 306.406 3.197 20 10 DGCDRN Cc1ccc(C(=O)OCCCCC2CCOCC2)c(O)c1O ZINC000798608462 626231246 /nfs/dbraw/zinc/23/12/46/626231246.db2.gz XQSVSSTWLZAIBK-UHFFFAOYSA-N 0 0 308.374 3.160 20 10 DGCDRN CN(C)c1ccc(CN2CCCC[C@H]2c2ccnn2C)cc1F ZINC000798960528 626263298 /nfs/dbraw/zinc/26/32/98/626263298.db2.gz HVSQOGQMBGKVBB-SFHVURJKSA-N 0 0 316.424 3.352 20 10 DGCDRN CCCc1occc1C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000798980033 626264922 /nfs/dbraw/zinc/26/49/22/626264922.db2.gz BILWFHQCAVUEOD-NSHDSACASA-N 0 0 303.358 3.437 20 10 DGCDRN CCOCC1(C(=O)N(C)Cc2ccc(N(CC)CC)cc2)CC1 ZINC000799301418 626286389 /nfs/dbraw/zinc/28/63/89/626286389.db2.gz RIFNTMGZELCDTR-UHFFFAOYSA-N 0 0 318.461 3.308 20 10 DGCDRN CCN(C(=O)/C=C/c1cnn(C)c1)c1ccc(Cl)c(F)c1 ZINC000799409017 626298895 /nfs/dbraw/zinc/29/88/95/626298895.db2.gz JCBZZMKGQDDMLD-QPJJXVBHSA-N 0 0 307.756 3.279 20 10 DGCDRN Cn1c(=O)[nH]c2ccc(NCc3cc(Cl)cc(F)c3O)cc21 ZINC000799739704 626326788 /nfs/dbraw/zinc/32/67/88/626326788.db2.gz AQKGXKULSVEMFD-UHFFFAOYSA-N 0 0 321.739 3.389 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N1CCC(C)CC1 ZINC000799752911 626327521 /nfs/dbraw/zinc/32/75/21/626327521.db2.gz WVMQWSPTCOTKJZ-UHFFFAOYSA-N 0 0 303.450 3.426 20 10 DGCDRN CCNC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000799859732 626331300 /nfs/dbraw/zinc/33/13/00/626331300.db2.gz WSKYOKPQHDPWKO-GFCCVEGCSA-N 0 0 309.841 3.395 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)cc1 ZINC000799864680 626331736 /nfs/dbraw/zinc/33/17/36/626331736.db2.gz UMQOLKYIZLSOSG-RLFYNMQTSA-N 0 0 318.461 3.305 20 10 DGCDRN COc1ccc(N(C)CC2CN(C(=O)OC(C)(C)C)C2)cc1F ZINC000800350443 626353082 /nfs/dbraw/zinc/35/30/82/626353082.db2.gz FJIAWEDARDCZIB-UHFFFAOYSA-N 0 0 324.396 3.137 20 10 DGCDRN Cc1ccc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)o1 ZINC000839912216 626369332 /nfs/dbraw/zinc/36/93/32/626369332.db2.gz CMNRYDMMEKQRBF-CYBMUJFWSA-N 0 0 300.402 3.323 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cccs1 ZINC000839913580 626369534 /nfs/dbraw/zinc/36/95/34/626369534.db2.gz MGSSETGJTFZLCP-CYBMUJFWSA-N 0 0 302.443 3.484 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)cn1 ZINC000839915348 626370032 /nfs/dbraw/zinc/37/00/32/626370032.db2.gz DVIOWCJGGYLDQN-HNNXBMFYSA-N 0 0 311.429 3.125 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C[C@H]1C=CCC1 ZINC000839915822 626370535 /nfs/dbraw/zinc/37/05/35/626370535.db2.gz LFORZSYGGGOHEZ-CVEARBPZSA-N 0 0 300.446 3.465 20 10 DGCDRN Cc1cccc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000839916548 626370621 /nfs/dbraw/zinc/37/06/21/626370621.db2.gz VJKNBUAKBDIADV-HNNXBMFYSA-N 0 0 311.429 3.125 20 10 DGCDRN Cc1nc(C)c(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)o1 ZINC000839918430 626371311 /nfs/dbraw/zinc/37/13/11/626371311.db2.gz MAXBPGLTUCKIGD-LBPRGKRZSA-N 0 0 315.417 3.027 20 10 DGCDRN Cc1cncc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000839918061 626371316 /nfs/dbraw/zinc/37/13/16/626371316.db2.gz JCEWJMGSSDAOHJ-OAHLLOKOSA-N 0 0 311.429 3.125 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1Cc2ccccc21 ZINC000839918446 626371439 /nfs/dbraw/zinc/37/14/39/626371439.db2.gz MDAGRGXZDKWSQB-MGPUTAFESA-N 0 0 322.452 3.448 20 10 DGCDRN Cc1ccccc1[C@]1(F)CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000800698974 626372081 /nfs/dbraw/zinc/37/20/81/626372081.db2.gz SKPCSEMKTWSUQB-INIZCTEOSA-N 0 0 305.374 3.473 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1CC(F)(F)C1 ZINC000839918907 626372543 /nfs/dbraw/zinc/37/25/43/626372543.db2.gz DOEKUXYJOHPRNE-GFCCVEGCSA-N 0 0 310.388 3.154 20 10 DGCDRN CCCCO[C@H](C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839920038 626373372 /nfs/dbraw/zinc/37/33/72/626373372.db2.gz ZXYDQBRBUAEGDT-HZPDHXFCSA-N 0 0 320.477 3.313 20 10 DGCDRN CC[C@@H](SC)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839920083 626373412 /nfs/dbraw/zinc/37/34/12/626373412.db2.gz KKOUUYJOKDPTEQ-XJKSGUPXSA-N 0 0 308.491 3.250 20 10 DGCDRN CSC1(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000839920765 626373613 /nfs/dbraw/zinc/37/36/13/626373613.db2.gz DSEMMBMQGIKLCK-ZDUSSCGKSA-N 0 0 306.475 3.004 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC000839921016 626373779 /nfs/dbraw/zinc/37/37/79/626373779.db2.gz GHSIFWYEGXXZTH-CQDKDKBSSA-N 0 0 310.388 3.009 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H]2C[C@@H]2C(F)F)cc1 ZINC000800807730 626376151 /nfs/dbraw/zinc/37/61/51/626376151.db2.gz DIKGVYRKTZGRGQ-GJZGRUSLSA-N 0 0 310.388 3.392 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CCC(C)(C)O1 ZINC000839922474 626377778 /nfs/dbraw/zinc/37/77/78/626377778.db2.gz VQPTVHLTNUNXSE-WMLDXEAASA-N 0 0 318.461 3.066 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CCC(C)(C)O1 ZINC000839922475 626377945 /nfs/dbraw/zinc/37/79/45/626377945.db2.gz VQPTVHLTNUNXSE-YOEHRIQHSA-N 0 0 318.461 3.066 20 10 DGCDRN CO[C@@H](C)c1nsc(NCCCSc2nccs2)n1 ZINC000800851490 626379024 /nfs/dbraw/zinc/37/90/24/626379024.db2.gz CIRPFDZTVCTXLC-QMMMGPOBSA-N 0 0 316.477 3.296 20 10 DGCDRN CO[C@@H](C)c1nsc(NCc2c(O)ccc3c2CCCC3)n1 ZINC000800854680 626379531 /nfs/dbraw/zinc/37/95/31/626379531.db2.gz PTTQLJMEEZVNTR-JTQLQIEISA-N 0 0 319.430 3.442 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)COC1(C)CCC1 ZINC000801546076 626409153 /nfs/dbraw/zinc/40/91/53/626409153.db2.gz WWRATVXLSFVQCI-UHFFFAOYSA-N 0 0 305.418 3.480 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Cc1cc(C)on1 ZINC000801549941 626409659 /nfs/dbraw/zinc/40/96/59/626409659.db2.gz HXZLDCBAJWLJMX-UHFFFAOYSA-N 0 0 302.374 3.060 20 10 DGCDRN Cc1ccc(C(=O)NCC2CC(c3ccccc3)C2)c(O)c1O ZINC000802192851 626435090 /nfs/dbraw/zinc/43/50/90/626435090.db2.gz HOKZRKZRFGIXFU-UHFFFAOYSA-N 0 0 311.381 3.330 20 10 DGCDRN COc1cccc(O)c1CNc1cc(NC(C)=O)ccc1C ZINC000802640465 626564503 /nfs/dbraw/zinc/56/45/03/626564503.db2.gz OBLPMOPXIYSCJX-UHFFFAOYSA-N 0 0 300.358 3.280 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1csc(NC)n1 ZINC000802657895 626565132 /nfs/dbraw/zinc/56/51/32/626565132.db2.gz CLCWHECDUXXJCW-UHFFFAOYSA-N 0 0 319.430 3.333 20 10 DGCDRN COc1cc2c(cc1F)CC[C@@H]2NC(=O)C1=CC(=O)CS1 ZINC000802659614 626565794 /nfs/dbraw/zinc/56/57/94/626565794.db2.gz XDTRKFMXTNLFCB-LBPRGKRZSA-N 0 0 307.346 3.019 20 10 DGCDRN CN(C)C[C@H](NC(=O)C1=CC(=O)CS1)c1ccc(Cl)cc1 ZINC000802679838 626566471 /nfs/dbraw/zinc/56/64/71/626566471.db2.gz QXAOAMKZYJMEJJ-ZDUSSCGKSA-N 0 0 324.833 3.140 20 10 DGCDRN CCc1nc(C(=O)NCc2c(O)ccc3c2CCCC3)c(C)o1 ZINC000802784837 626571942 /nfs/dbraw/zinc/57/19/42/626571942.db2.gz HXODLEUPEDXYBB-UHFFFAOYSA-N 0 0 314.385 3.060 20 10 DGCDRN COCCC1(C(=O)N[C@@H](C)c2cc(OC)ccc2O)CCCC1 ZINC000131213963 626608152 /nfs/dbraw/zinc/60/81/52/626608152.db2.gz UBFCCIBKRTWQRS-ZDUSSCGKSA-N 0 0 321.417 3.175 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1ccc(Cl)cc1[O-] ZINC000883275744 626632842 /nfs/dbraw/zinc/63/28/42/626632842.db2.gz AIGPSKUMJCQVHQ-DGCLKSJQSA-N 0 0 309.793 3.140 20 10 DGCDRN COC[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000883319454 626645867 /nfs/dbraw/zinc/64/58/67/626645867.db2.gz CLKGLJVUHHVDKW-GARJFASQSA-N 0 0 303.324 3.487 20 10 DGCDRN C[C@]1(c2cccc(N[C@@H]3CCc4cccc(O)c43)c2)COC(=O)N1 ZINC000883329664 626649766 /nfs/dbraw/zinc/64/97/66/626649766.db2.gz PHAKZUOGDPBBTG-DNVCBOLYSA-N 0 0 324.380 3.447 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-])[C@H]1CCCOC1 ZINC000883352358 626657181 /nfs/dbraw/zinc/65/71/81/626657181.db2.gz ZKPUFPYRGCAKBY-NOLJZWGESA-N 0 0 321.417 3.035 20 10 DGCDRN CC[C@H]([NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-])[C@H]1CCCOC1 ZINC000883352357 626657199 /nfs/dbraw/zinc/65/71/99/626657199.db2.gz ZKPUFPYRGCAKBY-INWMFGNUSA-N 0 0 321.417 3.035 20 10 DGCDRN CCN1CC[C@H]1C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000883355595 626658377 /nfs/dbraw/zinc/65/83/77/626658377.db2.gz UXVNSZUMAWGXGT-QWRGUYRKSA-N 0 0 302.340 3.156 20 10 DGCDRN CC(=O)c1cc(NC(=O)c2ccc(C)c(O)c2O)ccc1F ZINC000804273365 626665455 /nfs/dbraw/zinc/66/54/55/626665455.db2.gz VXLPQYPNUHTVJI-UHFFFAOYSA-N 0 0 303.289 3.000 20 10 DGCDRN Cc1ccc(O)c([C@H](C)Nc2cccc3c2N(C)C(=O)CO3)c1 ZINC000883397580 626672706 /nfs/dbraw/zinc/67/27/06/626672706.db2.gz PZQNECWXIATGRL-LBPRGKRZSA-N 0 0 312.369 3.229 20 10 DGCDRN CC[C@H]([NH2+]CCOC[C@H]1CCCO1)c1cccc(Cl)c1[O-] ZINC000806139910 626701752 /nfs/dbraw/zinc/70/17/52/626701752.db2.gz SHJBMRTVBSBTEF-DOMZBBRYSA-N 0 0 313.825 3.282 20 10 DGCDRN CC[C@@H]([NH2+]CC(=O)NC1CCCC1)c1cccc(Cl)c1[O-] ZINC000806146850 626702445 /nfs/dbraw/zinc/70/24/45/626702445.db2.gz RFDWNDWSCZFLJD-CQSZACIVSA-N 0 0 310.825 3.145 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cccn(CC)c1=O)c1cccc(Cl)c1[O-] ZINC000806163422 626703857 /nfs/dbraw/zinc/70/38/57/626703857.db2.gz QLOPDEOEBZYEGA-OAHLLOKOSA-N 0 0 320.820 3.468 20 10 DGCDRN C[C@H](NC(=O)N1CCC[C@@H](CF)C1)c1ccc(N(C)C)cc1 ZINC000883582033 626709413 /nfs/dbraw/zinc/70/94/13/626709413.db2.gz LFRFGZRPPAWBCW-KBPBESRZSA-N 0 0 307.413 3.205 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccccc2OC2CC2)cc1 ZINC000806317264 626710133 /nfs/dbraw/zinc/71/01/33/626710133.db2.gz CXMWBFAKXWRYCT-UHFFFAOYSA-N 0 0 310.397 3.224 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCc3ccsc3C2)c1O ZINC000132512378 626722555 /nfs/dbraw/zinc/72/25/55/626722555.db2.gz VEPWDGRUCCNTDR-UHFFFAOYSA-N 0 0 305.374 3.354 20 10 DGCDRN C[C@H](Cc1cncc2ccccc21)C(=O)NCc1ccccc1O ZINC000806717309 626731409 /nfs/dbraw/zinc/73/14/09/626731409.db2.gz FNHKFUKANMTNGZ-CQSZACIVSA-N 0 0 320.392 3.435 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[C@@H]1C ZINC000807557096 626760026 /nfs/dbraw/zinc/76/00/26/626760026.db2.gz UVMHLCJIFOEYDX-YOEHRIQHSA-N 0 0 303.450 3.471 20 10 DGCDRN CCOC1CC(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000807576204 626761644 /nfs/dbraw/zinc/76/16/44/626761644.db2.gz XSXZKJCNCWBTMV-UHFFFAOYSA-N 0 0 318.461 3.305 20 10 DGCDRN O=C(NCc1c(F)cccc1N1CCCC1)C1=CC(=O)CS1 ZINC000807664068 626764274 /nfs/dbraw/zinc/76/42/74/626764274.db2.gz YZKWKTRFORZHQV-UHFFFAOYSA-N 0 0 320.389 3.123 20 10 DGCDRN O=C(Nc1ncc(-c2ccccn2)s1)C1=CC(=O)CS1 ZINC000807669740 626764325 /nfs/dbraw/zinc/76/43/25/626764325.db2.gz QNTOHNBEJLUTHR-UHFFFAOYSA-N 0 0 303.368 3.225 20 10 DGCDRN Nc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)OC23CCC3)cc1 ZINC000884008992 626788306 /nfs/dbraw/zinc/78/83/06/626788306.db2.gz IDWIRFXVRDFLSF-MRXNPFEDSA-N 0 0 322.364 3.084 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C)c(F)c1 ZINC000808096238 626792369 /nfs/dbraw/zinc/79/23/69/626792369.db2.gz FARFOMTYEROKKM-UHFFFAOYSA-N 0 0 308.349 3.255 20 10 DGCDRN O=C1NCCCN1c1cc(NCc2ccccc2O)ccc1F ZINC000808427785 626823043 /nfs/dbraw/zinc/82/30/43/626823043.db2.gz GCMQELUUIVDKLJ-UHFFFAOYSA-N 0 0 315.348 3.063 20 10 DGCDRN CC(=O)C(=O)COC(=O)C[C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000808544611 626839077 /nfs/dbraw/zinc/83/90/77/626839077.db2.gz FXRIWKQCZJBYPW-BBRMVZONSA-N 0 0 302.370 3.005 20 10 DGCDRN CN(CC[NH+]1CCCC1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000133905088 626845981 /nfs/dbraw/zinc/84/59/81/626845981.db2.gz SJDYZMVRQSKVGG-UHFFFAOYSA-N 0 0 303.233 3.227 20 10 DGCDRN Cc1cc(Cl)cc([C@@H](C)NCc2nnc3n2CCCC3)c1O ZINC000808713707 626853290 /nfs/dbraw/zinc/85/32/90/626853290.db2.gz JRKFVHDZTLXOGG-LLVKDONJSA-N 0 0 320.824 3.133 20 10 DGCDRN O=C1/C(=C\c2cnccn2)SC(=S)N1c1ccc(F)cc1 ZINC000809151996 626886803 /nfs/dbraw/zinc/88/68/03/626886803.db2.gz ACNNLPQDKLSGFL-KPKJPENVSA-N 0 0 317.370 3.022 20 10 DGCDRN COc1ccc(N2CC[C@H](Nc3nccc4cccnc43)C2)cc1 ZINC000884551645 626901788 /nfs/dbraw/zinc/90/17/88/626901788.db2.gz GBAOMTLRRZMAAH-HNNXBMFYSA-N 0 0 320.396 3.329 20 10 DGCDRN COc1ccc(O)c(CN2CCCN(C)c3ccc(F)cc32)c1 ZINC000809786060 626952898 /nfs/dbraw/zinc/95/28/98/626952898.db2.gz NLXGSXNZAWMCQW-UHFFFAOYSA-N 0 0 316.376 3.386 20 10 DGCDRN FC1(F)COCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000809787524 626953057 /nfs/dbraw/zinc/95/30/57/626953057.db2.gz GVTCEWNQAXKBHI-UHFFFAOYSA-N 0 0 310.388 3.144 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])[C@H](O)c1ccccc1 ZINC000809786743 626953236 /nfs/dbraw/zinc/95/32/36/626953236.db2.gz JYBKEOMHBUEHND-BONVTDFDSA-N 0 0 309.768 3.396 20 10 DGCDRN Cc1cccc(CN2C[C@H](C)C(=O)N(C)c3ccccc32)c1O ZINC000809786287 626953363 /nfs/dbraw/zinc/95/33/63/626953363.db2.gz WSJBAYYFTAGJFH-AWEZNQCLSA-N 0 0 310.397 3.320 20 10 DGCDRN COc1ccccc1N(CCO)Cc1cc(C)c(C)cc1O ZINC000809792966 626954538 /nfs/dbraw/zinc/95/45/38/626954538.db2.gz MGSNXSNFWNFWSR-UHFFFAOYSA-N 0 0 301.386 3.017 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)C[C@H](C)CC(=O)OC ZINC000809804131 626955075 /nfs/dbraw/zinc/95/50/75/626955075.db2.gz RURJQSVINKWNKR-AWEZNQCLSA-N 0 0 321.417 3.110 20 10 DGCDRN O=C(OC1CCOCC1)N(Cc1ccccc1O)C1CCCC1 ZINC000810050422 626972586 /nfs/dbraw/zinc/97/25/86/626972586.db2.gz BFDNKXZJDNJUAN-UHFFFAOYSA-N 0 0 319.401 3.452 20 10 DGCDRN CCCCN(C)C[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000810245059 626991816 /nfs/dbraw/zinc/99/18/16/626991816.db2.gz PAXWTPNVXVMLJS-NEPJUHHUSA-N 0 0 300.393 3.441 20 10 DGCDRN CCCN(CC)C[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000810262306 626994541 /nfs/dbraw/zinc/99/45/41/626994541.db2.gz OJCSKVUDFYVQDN-VXGBXAGGSA-N 0 0 300.393 3.441 20 10 DGCDRN COc1cc(N(C)C[C@H]2CC[C@H](C3CC3)O2)cc(OC)c1OC ZINC000886021015 627086315 /nfs/dbraw/zinc/08/63/15/627086315.db2.gz MVYAYDDKVJLCHB-HUUCEWRRSA-N 0 0 321.417 3.106 20 10 DGCDRN Cc1cc(NS(=O)(=O)c2ccc3c(c2)CCCC3)ccc1O ZINC000136487023 627092231 /nfs/dbraw/zinc/09/22/31/627092231.db2.gz UWLOMXKHKCXIOL-UHFFFAOYSA-N 0 0 317.410 3.380 20 10 DGCDRN Cc1[nH]nc(NCc2cc(Br)cc(F)c2O)c1C ZINC000886197760 627120076 /nfs/dbraw/zinc/12/00/76/627120076.db2.gz LIXVERRIOVKPKC-UHFFFAOYSA-N 0 0 314.158 3.246 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2CCc3c2cccc3F)c1 ZINC000886362810 627143273 /nfs/dbraw/zinc/14/32/73/627143273.db2.gz OKVANCNHVYGEPX-HNNXBMFYSA-N 0 0 302.305 3.217 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1c([O-])cccc1F ZINC000886489282 627152002 /nfs/dbraw/zinc/15/20/02/627152002.db2.gz DWWIQFZRTPZJRM-NSHDSACASA-N 0 0 303.333 3.153 20 10 DGCDRN C[C@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1c([O-])cccc1F ZINC000886500370 627153585 /nfs/dbraw/zinc/15/35/85/627153585.db2.gz SFUVXSIAMCOOEL-ZDUSSCGKSA-N 0 0 315.392 3.377 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1c([O-])cccc1F ZINC000886501487 627153614 /nfs/dbraw/zinc/15/36/14/627153614.db2.gz MQILCOGGTRNTPO-CYBMUJFWSA-N 0 0 315.392 3.377 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1COc2ccccc2C1)c1c([O-])cccc1F ZINC000886513088 627155610 /nfs/dbraw/zinc/15/56/10/627155610.db2.gz SZKVYMZGBJYEDG-OLZOCXBDSA-N 0 0 301.361 3.433 20 10 DGCDRN Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886532920 627158517 /nfs/dbraw/zinc/15/85/17/627158517.db2.gz RAHGSIYKDTXRPN-ZYHUDNBSSA-N 0 0 305.397 3.163 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1c([O-])cccc1F ZINC000886550113 627161250 /nfs/dbraw/zinc/16/12/50/627161250.db2.gz SKELGYGHIPOBAJ-WSVYEEACSA-N 0 0 307.390 3.120 20 10 DGCDRN COC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2c([O-])cccc2F)CC1 ZINC000886594558 627169279 /nfs/dbraw/zinc/16/92/79/627169279.db2.gz OYOTYWVEBNAOGQ-RYUDHWBXSA-N 0 0 324.396 3.049 20 10 DGCDRN Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2c([O-])cccc2F)cc1 ZINC000886596250 627169925 /nfs/dbraw/zinc/16/99/25/627169925.db2.gz ABBIVEPGLHWQPX-HIFRSBDPSA-N 0 0 303.377 3.094 20 10 DGCDRN Cc1ccccc1C[C@@H](CO)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886597191 627170625 /nfs/dbraw/zinc/17/06/25/627170625.db2.gz YSLBJUXLKUNKGM-HIFRSBDPSA-N 0 0 303.377 3.094 20 10 DGCDRN C[C@@H](Nc1ccc(OC2COC2)cc1)c1c(O)cccc1F ZINC000886597224 627170711 /nfs/dbraw/zinc/17/07/11/627170711.db2.gz ZOVSOQCRVCHZJX-LLVKDONJSA-N 0 0 303.333 3.482 20 10 DGCDRN C[C@@H]([NH2+][C@H](CCO)Cc1ccccc1)c1c([O-])cccc1F ZINC000886606527 627171455 /nfs/dbraw/zinc/17/14/55/627171455.db2.gz ANWUQYJQPJHPEL-UKRRQHHQSA-N 0 0 303.377 3.176 20 10 DGCDRN C[C@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1c([O-])cccc1F ZINC000886639635 627178492 /nfs/dbraw/zinc/17/84/92/627178492.db2.gz IDHAYCZULIHOQP-LBPRGKRZSA-N 0 0 308.397 3.008 20 10 DGCDRN C[C@@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1c([O-])cccc1F ZINC000886639634 627178510 /nfs/dbraw/zinc/17/85/10/627178510.db2.gz IDHAYCZULIHOQP-GFCCVEGCSA-N 0 0 308.397 3.008 20 10 DGCDRN C[C@@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1c([O-])cccc1F ZINC000886639734 627178565 /nfs/dbraw/zinc/17/85/65/627178565.db2.gz KPFYQPPHAHASAK-SNVBAGLBSA-N 0 0 303.324 3.122 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)[C@@H]2C)O1)c1ccc(F)cc1[O-] ZINC000886771732 627202971 /nfs/dbraw/zinc/20/29/71/627202971.db2.gz MQANDXYOKKCDJF-BPTYRPCHSA-N 0 0 323.408 3.155 20 10 DGCDRN COc1ccc(N2CCN(C(=O)c3cccc(C)c3C)CC2)cc1 ZINC000005392539 627262495 /nfs/dbraw/zinc/26/24/95/627262495.db2.gz JMMRBCGGNLVOJA-UHFFFAOYSA-N 0 0 324.424 3.274 20 10 DGCDRN CCO[C@@H](C)c1nc(-c2cn(-c3ccc(N)cc3)nn2)cs1 ZINC000887486326 627270160 /nfs/dbraw/zinc/27/01/60/627270160.db2.gz LXGIFQGUKURMKH-JTQLQIEISA-N 0 0 315.402 3.071 20 10 DGCDRN COC(=O)c1ccc(CN2CCCCc3cc(OC)ccc32)[nH]1 ZINC000811508157 627283514 /nfs/dbraw/zinc/28/35/14/627283514.db2.gz CYXHRSUWBHHVAO-UHFFFAOYSA-N 0 0 314.385 3.153 20 10 DGCDRN CCOc1ccc(O)c(CN2CCC(=O)Nc3ccccc32)c1 ZINC000811508345 627283578 /nfs/dbraw/zinc/28/35/78/627283578.db2.gz MPJZKSRHBOHQBD-UHFFFAOYSA-N 0 0 312.369 3.140 20 10 DGCDRN Cc1cnn([C@@H]2CC[N@H+](Cc3cc(Cl)cc(F)c3[O-])C2)c1 ZINC000811520351 627287221 /nfs/dbraw/zinc/28/72/21/627287221.db2.gz NMPQOGPQWKFPME-CYBMUJFWSA-N 0 0 309.772 3.137 20 10 DGCDRN CC[C@]1(CNC(=O)C2=CC(=O)CS2)OCCc2ccccc21 ZINC000811588670 627292314 /nfs/dbraw/zinc/29/23/14/627292314.db2.gz AVWVOEBACTZZBU-QGZVFWFLSA-N 0 0 317.410 3.062 20 10 DGCDRN COc1ccc(O)c(CNc2ncc(Br)cc2C)c1 ZINC000811806293 627323104 /nfs/dbraw/zinc/32/31/04/627323104.db2.gz PUDNFRYWMRHPJL-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CC[C@@H](C3CCC3)C2)cc1 ZINC000840244533 627342329 /nfs/dbraw/zinc/34/23/29/627342329.db2.gz OVBWZQRRSIXADG-MRXNPFEDSA-N 0 0 301.434 3.084 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C)[C@H](C)COC)cc1 ZINC000812453771 627388201 /nfs/dbraw/zinc/38/82/01/627388201.db2.gz TUQZDKCBLNKIEX-CVEARBPZSA-N 0 0 320.477 3.410 20 10 DGCDRN Cn1cc(NCc2cccc(Br)c2O)c(C2CC2)n1 ZINC000812775697 627419133 /nfs/dbraw/zinc/41/91/33/627419133.db2.gz FCPPLZRBPDJMHP-UHFFFAOYSA-N 0 0 322.206 3.378 20 10 DGCDRN CN(Cc1cncc(C(F)(F)F)c1)c1ccc2c(c1)OCO2 ZINC000812831527 627427008 /nfs/dbraw/zinc/42/70/08/627427008.db2.gz VXZBDQXMNXIXSV-UHFFFAOYSA-N 0 0 310.275 3.466 20 10 DGCDRN COC[C@H](C)[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000812881976 627432363 /nfs/dbraw/zinc/43/23/63/627432363.db2.gz IPUSUDXFZRNCPS-HOTGVXAUSA-N 0 0 320.477 3.408 20 10 DGCDRN Cc1cc(CCNC(=O)NCc2ccccc2O)ccc1Cl ZINC000812915730 627435331 /nfs/dbraw/zinc/43/53/31/627435331.db2.gz JWJAIJHNCXVDAM-UHFFFAOYSA-N 0 0 318.804 3.396 20 10 DGCDRN CCCN(Cc1ccccc1O)c1ncc([N+](=O)[O-])cc1F ZINC000840274205 627439668 /nfs/dbraw/zinc/43/96/68/627439668.db2.gz CZXLHSPMXYUBRB-UHFFFAOYSA-N 0 0 305.309 3.251 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)c1ncc([N+](=O)[O-])cc1F ZINC000840275378 627440076 /nfs/dbraw/zinc/44/00/76/627440076.db2.gz OYWIWQLGEDIZGV-UHFFFAOYSA-N 0 0 318.352 3.221 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Nc1cc2c(cn1)CCCC2 ZINC000813012278 627441986 /nfs/dbraw/zinc/44/19/86/627441986.db2.gz GCHLJIIWWQMOBZ-UHFFFAOYSA-N 0 0 311.385 3.330 20 10 DGCDRN C[C@@H]1CC(C)(C)CN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000840282001 627461515 /nfs/dbraw/zinc/46/15/15/627461515.db2.gz YNZXPYQEPGYQBJ-GFCCVEGCSA-N 0 0 307.413 3.222 20 10 DGCDRN COc1cccc(OC)c1CN(C)Cc1ccc(N(C)C)cc1 ZINC000813334789 627479366 /nfs/dbraw/zinc/47/93/66/627479366.db2.gz YNWGFGGXCRBPAB-UHFFFAOYSA-N 0 0 314.429 3.402 20 10 DGCDRN COc1cnc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)nc1 ZINC000813369860 627484133 /nfs/dbraw/zinc/48/41/33/627484133.db2.gz BGZHPNLHCIXEDD-UHFFFAOYSA-N 0 0 322.368 3.145 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc[nH]c2C2CCC2)c1 ZINC000813488833 627493285 /nfs/dbraw/zinc/49/32/85/627493285.db2.gz GRIOSEFJSDXAEW-LLVKDONJSA-N 0 0 314.385 3.487 20 10 DGCDRN C[C@H](NC(=O)C[C@H](O)CC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000813524484 627496105 /nfs/dbraw/zinc/49/61/05/627496105.db2.gz CMXGYZUSZNGPNI-BBRMVZONSA-N 0 0 306.450 3.117 20 10 DGCDRN CC[C@@H](C)CONC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000813590999 627500417 /nfs/dbraw/zinc/50/04/17/627500417.db2.gz HDYPHCJBEPKALE-CQSZACIVSA-N 0 0 307.438 3.310 20 10 DGCDRN CCN(CC)c1ccc(CNC(=S)NC2CCC2)cc1F ZINC000814198511 627550250 /nfs/dbraw/zinc/55/02/50/627550250.db2.gz PHSSNYKQAUCRCV-UHFFFAOYSA-N 0 0 309.454 3.189 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC1CC(C)C1 ZINC000840315633 627550920 /nfs/dbraw/zinc/55/09/20/627550920.db2.gz ZTCUUYQLVDLNDD-CXOJTPOUSA-N 0 0 303.450 3.090 20 10 DGCDRN Cc1cc(C(=O)COC(=O)C2CC2)c(C)n1-c1cccc(F)c1 ZINC000003392970 627552714 /nfs/dbraw/zinc/55/27/14/627552714.db2.gz OJNQPJMQSDNKKM-UHFFFAOYSA-N 0 0 315.344 3.369 20 10 DGCDRN C[C@H](Nc1nnc(C(F)F)o1)c1ccc(N2CCOCC2)cc1 ZINC000814360595 627561169 /nfs/dbraw/zinc/56/11/69/627561169.db2.gz FDXLEMOPCOZFLN-JTQLQIEISA-N 0 0 324.331 3.017 20 10 DGCDRN CO[C@H]1CCC[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000814405512 627562880 /nfs/dbraw/zinc/56/28/80/627562880.db2.gz MRWNQDUVFKMNKD-AEFFLSMTSA-N 0 0 316.445 3.108 20 10 DGCDRN Cc1cc(C(=O)CSCCO)c(C)n1-c1ccc(C)c(F)c1 ZINC000007199129 627569548 /nfs/dbraw/zinc/56/95/48/627569548.db2.gz VIMASUJMVBWBAJ-UHFFFAOYSA-N 0 0 321.417 3.450 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC1CC=CC1 ZINC000840326576 627597772 /nfs/dbraw/zinc/59/77/72/627597772.db2.gz JTQRCSVWXNMUHT-AWEZNQCLSA-N 0 0 301.434 3.010 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2OC)cc1 ZINC000815052405 627619812 /nfs/dbraw/zinc/61/98/12/627619812.db2.gz NMHYTOPSASRJFT-MSOLQXFVSA-N 0 0 318.461 3.354 20 10 DGCDRN Cc1cc(CN2C[C@H](C(F)(F)F)O[C@@H](C)C2)ccc1N(C)C ZINC000815055755 627619992 /nfs/dbraw/zinc/61/99/92/627619992.db2.gz MIEVLLJEYZSRRZ-SWLSCSKDSA-N 0 0 316.367 3.213 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cc(C)cc(Br)c1[O-])C(C)(C)O ZINC000815155552 627638903 /nfs/dbraw/zinc/63/89/03/627638903.db2.gz RXEIIOQYLGMYMF-GFCCVEGCSA-N 0 0 316.239 3.102 20 10 DGCDRN C[C@@H]([NH2+]C1COC(C)(C)OC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815616763 627691048 /nfs/dbraw/zinc/69/10/48/627691048.db2.gz XNILIYRSQQSMEW-SECBINFHSA-N 0 0 319.323 3.213 20 10 DGCDRN CC(C)[C@H](CO)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815626248 627692239 /nfs/dbraw/zinc/69/22/39/627692239.db2.gz ZHYBNXQFEMRASP-MNOVXSKESA-N 0 0 305.340 3.326 20 10 DGCDRN COc1cccc2c1[C@H](C(=O)N(C)Cc1ccccc1O)CC2 ZINC000815796600 627704753 /nfs/dbraw/zinc/70/47/53/627704753.db2.gz DCTDQNSGEJTZLH-OAHLLOKOSA-N 0 0 311.381 3.089 20 10 DGCDRN CO[C@@H]1CCC[C@@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000815835734 627707055 /nfs/dbraw/zinc/70/70/55/627707055.db2.gz DAFCHZRLZGYMPM-HUUCEWRRSA-N 0 0 317.429 3.092 20 10 DGCDRN CC[C@@H](N[C@@H]1C[NH2+]C[C@H]1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000925782167 627794787 /nfs/dbraw/zinc/79/47/87/627794787.db2.gz DSGUGBIAQYRFPI-BZHVJNSISA-N 0 0 303.233 3.348 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000816493111 627797353 /nfs/dbraw/zinc/79/73/53/627797353.db2.gz PIPNODFMFXNMLN-ZDUSSCGKSA-N 0 0 312.816 3.245 20 10 DGCDRN C[N@H+](CCC(=O)OC(C)(C)C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816516120 627800171 /nfs/dbraw/zinc/80/01/71/627800171.db2.gz VUFKIYDPMPWEDR-UHFFFAOYSA-N 0 0 317.788 3.348 20 10 DGCDRN C[C@@H]1CCCN(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816535286 627803074 /nfs/dbraw/zinc/80/30/74/627803074.db2.gz LFAPKPUABAOOMK-LLVKDONJSA-N 0 0 300.805 3.006 20 10 DGCDRN Cc1csc(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])n1 ZINC000816535558 627803141 /nfs/dbraw/zinc/80/31/41/627803141.db2.gz SGSVHLPBFWDJNC-UHFFFAOYSA-N 0 0 300.786 3.282 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCCOCC(F)(F)F ZINC000816534855 627803503 /nfs/dbraw/zinc/80/35/03/627803503.db2.gz WUUAKBYBDFRRLB-UHFFFAOYSA-N 0 0 315.694 3.243 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H](O)c1ccccc1F ZINC000816537877 627804083 /nfs/dbraw/zinc/80/40/83/627804083.db2.gz WWEIIIFAROOLGQ-HNNXBMFYSA-N 0 0 313.731 3.147 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000816544030 627804895 /nfs/dbraw/zinc/80/48/95/627804895.db2.gz VRUURQIPZGRRFE-OAHLLOKOSA-N 0 0 313.731 3.147 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000816544029 627804980 /nfs/dbraw/zinc/80/49/80/627804980.db2.gz VRUURQIPZGRRFE-HNNXBMFYSA-N 0 0 313.731 3.147 20 10 DGCDRN CN(CC[NH2+]Cc1cc(Cl)c(F)cc1[O-])C1CCCC1 ZINC000816548147 627805504 /nfs/dbraw/zinc/80/55/04/627805504.db2.gz WVMOUCHRHOKSSE-UHFFFAOYSA-N 0 0 300.805 3.149 20 10 DGCDRN COc1ccc(CNC(=O)c2ccc(C(C)(F)F)cc2)c(O)c1 ZINC000816551270 627805900 /nfs/dbraw/zinc/80/59/00/627805900.db2.gz VGZXGWVNPBXYTD-UHFFFAOYSA-N 0 0 321.323 3.443 20 10 DGCDRN CCC(CC)(CC(=O)OC)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816554973 627806795 /nfs/dbraw/zinc/80/67/95/627806795.db2.gz PEKHVAWHOXGAHL-UHFFFAOYSA-N 0 0 317.788 3.396 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@H](O)Cc1ccccc1 ZINC000816558119 627807802 /nfs/dbraw/zinc/80/78/02/627807802.db2.gz NULKTMDGAZDLIS-BDJLRTHQSA-N 0 0 323.795 3.266 20 10 DGCDRN CCC[C@@]1(CO)CCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816592224 627812227 /nfs/dbraw/zinc/81/22/27/627812227.db2.gz CLVQKZPOYNVGNT-HNNXBMFYSA-N 0 0 301.789 3.312 20 10 DGCDRN CC(C)C[N@H+](CCN(C)C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816610340 627814599 /nfs/dbraw/zinc/81/45/99/627814599.db2.gz HKAUEGXANPHVTP-UHFFFAOYSA-N 0 0 302.821 3.204 20 10 DGCDRN COc1ccc2c(c1)CCCCN2Cc1cnn(CC(F)F)c1 ZINC000816614569 627815658 /nfs/dbraw/zinc/81/56/58/627815658.db2.gz ZEKHVVBXCBSRRY-UHFFFAOYSA-N 0 0 321.371 3.500 20 10 DGCDRN CCO/C=C/C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000816826169 627833069 /nfs/dbraw/zinc/83/30/69/627833069.db2.gz YUIWPYIFCJAKHS-SDNWHVSQSA-N 0 0 302.418 3.186 20 10 DGCDRN Cc1cc(C(=O)N2CCO[C@@H]3C[C@@H]32)c(C)n1-c1cc(C)cc(C)c1 ZINC000816900142 627837783 /nfs/dbraw/zinc/83/77/83/627837783.db2.gz INXZHQDKYXXCGD-RBUKOAKNSA-N 0 0 324.424 3.324 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)OC[C@H]3CCCO3)cc12 ZINC000817151996 627859698 /nfs/dbraw/zinc/85/96/98/627859698.db2.gz JGMKDZAZMTVSND-CQSZACIVSA-N 0 0 303.358 3.490 20 10 DGCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1cnns1 ZINC000817295791 627878894 /nfs/dbraw/zinc/87/88/94/627878894.db2.gz WLYXRCVKYLHKOC-CYBMUJFWSA-N 0 0 303.431 3.382 20 10 DGCDRN COc1ccc(-n2c(C)cc(C(=O)NOCC3CC3)c2C)cc1 ZINC000817357445 627888508 /nfs/dbraw/zinc/88/85/08/627888508.db2.gz GYDJDCBIIPIBBP-UHFFFAOYSA-N 0 0 314.385 3.174 20 10 DGCDRN Cc1cc(NC(=O)NCc2ccc(N(C)C)cc2)nn1C(C)C ZINC000817358005 627888538 /nfs/dbraw/zinc/88/85/38/627888538.db2.gz PUTNGSQSWSFIMD-UHFFFAOYSA-N 0 0 315.421 3.160 20 10 DGCDRN CN(C(=O)COc1ccc(N2CCCCC2)c(Cl)c1)C1CC1 ZINC000817382703 627891688 /nfs/dbraw/zinc/89/16/88/627891688.db2.gz XQJSRUWQKBHWNI-UHFFFAOYSA-N 0 0 322.836 3.330 20 10 DGCDRN CC[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1cccc(Cl)c1[O-] ZINC000817585220 627926261 /nfs/dbraw/zinc/92/62/61/627926261.db2.gz CRCVQWVBPRWMPF-HUBLWGQQSA-N 0 0 324.852 3.378 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NOC1CCCC1 ZINC000840344044 627930542 /nfs/dbraw/zinc/93/05/42/627930542.db2.gz WYBFGZOVJFVNOH-AWEZNQCLSA-N 0 0 319.449 3.165 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@@H]3CCOC[C@H]3C)cc12 ZINC000817760477 627946925 /nfs/dbraw/zinc/94/69/25/627946925.db2.gz CEUDKUSVTQSADM-IAQYHMDHSA-N 0 0 301.386 3.373 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)c3cnn(CCF)c3)cc12 ZINC000817762008 627947490 /nfs/dbraw/zinc/94/74/90/627947490.db2.gz OALYDQSQKGXKOD-UHFFFAOYSA-N 0 0 315.348 3.180 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCO[C@H](CC)C1 ZINC000817788955 627949439 /nfs/dbraw/zinc/94/94/39/627949439.db2.gz LWYOEGQVGPCGCE-HZPDHXFCSA-N 0 0 320.433 3.271 20 10 DGCDRN C[C@@H]1C[C@@H](C(=O)[O-])C[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000817881997 627953801 /nfs/dbraw/zinc/95/38/01/627953801.db2.gz TXLUJALTDATQPD-NVXWUHKLSA-N 0 0 316.445 3.220 20 10 DGCDRN C[C@H](C1CC1)N(C)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817917253 627961473 /nfs/dbraw/zinc/96/14/73/627961473.db2.gz NRDSRPCSQPMVRH-LLVKDONJSA-N 0 0 315.442 3.187 20 10 DGCDRN C[C@H]([NH2+][C@H]1CNCC[C@H]1C)c1cccc(C(F)(F)F)c1[O-] ZINC000817969027 627978671 /nfs/dbraw/zinc/97/86/71/627978671.db2.gz PQMOSSFGIPUGEW-NRUUGDAUSA-N 0 0 302.340 3.060 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1NCCc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000817972953 627980192 /nfs/dbraw/zinc/98/01/92/627980192.db2.gz ACDYAHKBPCIMKR-APPDUMDISA-N 0 0 318.367 3.208 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)c1c([O-])cccc1F ZINC000926922210 627981890 /nfs/dbraw/zinc/98/18/90/627981890.db2.gz IOQXFTMSTQSTTM-WDEREUQCSA-N 0 0 320.330 3.209 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1c([O-])cccc1F ZINC000926922207 627982035 /nfs/dbraw/zinc/98/20/35/627982035.db2.gz IOQXFTMSTQSTTM-MNOVXSKESA-N 0 0 320.330 3.209 20 10 DGCDRN C[C@H]([NH2+]CCc1nc2c(s1)CCC2)c1ccc(F)cc1[O-] ZINC000926931707 627984070 /nfs/dbraw/zinc/98/40/70/627984070.db2.gz QZTOZDRXEUFCJR-JTQLQIEISA-N 0 0 306.406 3.370 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2C[C@]2(F)c2ccccc2)c1 ZINC000818230258 628007102 /nfs/dbraw/zinc/00/71/02/628007102.db2.gz OXLKQMOHEOUWOH-HOTGVXAUSA-N 0 0 302.305 3.027 20 10 DGCDRN C[C@H]([NH2+][C@@H](C1CC1)[C@H]1CCCOC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927069852 628007614 /nfs/dbraw/zinc/00/76/14/628007614.db2.gz NKURMANKSVEVRQ-BNLOLNQZSA-N 0 0 320.389 3.156 20 10 DGCDRN COC(=O)c1cnc([C@H](C)N[C@@H](C)c2cc(F)ccc2O)s1 ZINC000818355515 628017868 /nfs/dbraw/zinc/01/78/68/628017868.db2.gz HAPRGKHNKXLEII-IUCAKERBSA-N 0 0 324.377 3.186 20 10 DGCDRN Cc1ccc([C@H](C)Nc2ccc(COCCO)cc2)c(O)c1 ZINC000818362594 628019520 /nfs/dbraw/zinc/01/95/20/628019520.db2.gz XXXSBRSYJQDRNC-AWEZNQCLSA-N 0 0 301.386 3.383 20 10 DGCDRN C[C@@]1(C(=O)NCCc2ccc(N)cc2)CCc2ccccc2C1 ZINC000818545147 628033485 /nfs/dbraw/zinc/03/34/85/628033485.db2.gz LVBGTJASNCQEEN-HXUWFJFHSA-N 0 0 308.425 3.123 20 10 DGCDRN Cc1ccsc1[C@H]1C[C@H]1C(=O)NCCc1ccc(N)cc1 ZINC000818545259 628033507 /nfs/dbraw/zinc/03/35/07/628033507.db2.gz SFSONTXWRPIQMI-LSDHHAIUSA-N 0 0 300.427 3.101 20 10 DGCDRN C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CCS1 ZINC000927260809 628040307 /nfs/dbraw/zinc/04/03/07/628040307.db2.gz NPEMXRJFBLLABR-HIFRSBDPSA-N 0 0 321.490 3.178 20 10 DGCDRN CCN(C(=O)c1cc(C)n(-c2ccccc2C)c1C)[C@@H](C)CO ZINC000818630318 628045567 /nfs/dbraw/zinc/04/55/67/628045567.db2.gz ACZXQDZQRZIORU-HNNXBMFYSA-N 0 0 314.429 3.245 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@H](C)[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000819164922 628103927 /nfs/dbraw/zinc/10/39/27/628103927.db2.gz XPLUINFUFHZECB-PBHICJAKSA-N 0 0 306.450 3.368 20 10 DGCDRN O=C1CN(Cc2ccccc2O)C(=O)N1C1CCCCCCC1 ZINC000819165906 628103931 /nfs/dbraw/zinc/10/39/31/628103931.db2.gz HBYHMWOWQXLNOS-UHFFFAOYSA-N 0 0 316.401 3.269 20 10 DGCDRN CC[C@H](c1ccccc1)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819166364 628104163 /nfs/dbraw/zinc/10/41/63/628104163.db2.gz VAMMTAIEMLCQOG-MRXNPFEDSA-N 0 0 324.380 3.308 20 10 DGCDRN O=C1CN(Cc2ccccc2O)C(=O)N1CC1CCCCCC1 ZINC000819169025 628104371 /nfs/dbraw/zinc/10/43/71/628104371.db2.gz FMBCCYOAXXDNQC-UHFFFAOYSA-N 0 0 316.401 3.127 20 10 DGCDRN C[C@H]1CCC[C@@H](N2C(=O)CN(Cc3ccccc3O)C2=O)CC1 ZINC000819169255 628104428 /nfs/dbraw/zinc/10/44/28/628104428.db2.gz YWKBTJDGOMKFSU-DZGCQCFKSA-N 0 0 316.401 3.125 20 10 DGCDRN C[C@@H]1CCC[C@H](N2C(=O)CN(Cc3ccccc3O)C2=O)CC1 ZINC000819169257 628104430 /nfs/dbraw/zinc/10/44/30/628104430.db2.gz YWKBTJDGOMKFSU-HIFRSBDPSA-N 0 0 316.401 3.125 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC[C@H](C)F ZINC000840378222 628123104 /nfs/dbraw/zinc/12/31/04/628123104.db2.gz DAYRZNUUVGZJQM-UONOGXRCSA-N 0 0 309.429 3.039 20 10 DGCDRN COc1cc2c(cc1NCCS(C)(=O)=O)oc1ccccc12 ZINC000819397553 628147579 /nfs/dbraw/zinc/14/75/79/628147579.db2.gz FCXCJBBNRRPPGG-UHFFFAOYSA-N 0 0 319.382 3.051 20 10 DGCDRN CC[C@H](Cc1ccccc1C)C(=O)NCc1ccc(O)c(O)c1 ZINC000819398042 628148108 /nfs/dbraw/zinc/14/81/08/628148108.db2.gz HQSRGCXLJUWPPX-OAHLLOKOSA-N 0 0 313.397 3.291 20 10 DGCDRN O[C@@H](CNc1ccccc1OCC(F)F)Cc1ccccc1 ZINC000819460149 628158296 /nfs/dbraw/zinc/15/82/96/628158296.db2.gz FQINYDVOWGTGSV-CQSZACIVSA-N 0 0 307.340 3.346 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)C3CCC3)C2)cc1 ZINC000819586529 628171516 /nfs/dbraw/zinc/17/15/16/628171516.db2.gz ANANYYVWARXLAX-HUUCEWRRSA-N 0 0 316.445 3.074 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNC(=O)C=C3CCCC3)C2)cc1 ZINC000819582968 628171583 /nfs/dbraw/zinc/17/15/83/628171583.db2.gz NVQYRCKOECXCLL-INIZCTEOSA-N 0 0 314.429 3.138 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)CCCC(C)C)C2)cc1 ZINC000819591733 628172058 /nfs/dbraw/zinc/17/20/58/628172058.db2.gz WBTJGMXQJAHYCO-MRXNPFEDSA-N 0 0 318.461 3.464 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](C)CC(C)C)C2)cc1 ZINC000819589002 628172088 /nfs/dbraw/zinc/17/20/88/628172088.db2.gz PTHQSSBJDWHDAS-HOTGVXAUSA-N 0 0 318.461 3.320 20 10 DGCDRN CC(C)O[C@H](C(=O)NCc1c(O)cccc1F)c1ccccc1 ZINC000928706605 628179401 /nfs/dbraw/zinc/17/94/01/628179401.db2.gz RNWYSLYJURLHTA-KRWDZBQOSA-N 0 0 317.360 3.314 20 10 DGCDRN COc1ccc(C(C)(C)C(=O)NCc2c(O)cccc2F)cc1 ZINC000928706581 628179512 /nfs/dbraw/zinc/17/95/12/628179512.db2.gz XRQOIPBIPDWAID-UHFFFAOYSA-N 0 0 317.360 3.134 20 10 DGCDRN O=C(NCc1c(O)cccc1F)C1(c2cccc(F)c2)CCC1 ZINC000928708361 628180412 /nfs/dbraw/zinc/18/04/12/628180412.db2.gz GGWVQMKTGNERCG-UHFFFAOYSA-N 0 0 317.335 3.409 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1ccc(CC)cc1 ZINC000819761690 628186028 /nfs/dbraw/zinc/18/60/28/628186028.db2.gz ZLMHYHFJGBKSDN-UHFFFAOYSA-N 0 0 318.413 3.299 20 10 DGCDRN CCO[C@@H](CC)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000840397947 628190349 /nfs/dbraw/zinc/19/03/49/628190349.db2.gz VWBFFYXWJIDOKI-KRWDZBQOSA-N 0 0 317.385 3.329 20 10 DGCDRN COc1ccc(N2CC[C@H](CNc3ccnc(C4CC4)n3)C2)cc1 ZINC000819936259 628201333 /nfs/dbraw/zinc/20/13/33/628201333.db2.gz QQNGIHXAWBMHTR-CQSZACIVSA-N 0 0 324.428 3.301 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H](OC)C2CCC2)cc1 ZINC000819973691 628207514 /nfs/dbraw/zinc/20/75/14/628207514.db2.gz ARRQSSNPUJWAHV-GOSISDBHSA-N 0 0 318.461 3.306 20 10 DGCDRN CCC[C@H]1SCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820035584 628215674 /nfs/dbraw/zinc/21/56/74/628215674.db2.gz ODHVPABLEHEPRA-GFCCVEGCSA-N 0 0 306.391 3.164 20 10 DGCDRN COc1cnc(C=Cc2ccc(N3CCCCC3)cc2)[nH]c1=O ZINC000821007111 628325303 /nfs/dbraw/zinc/32/53/03/628325303.db2.gz CTZWZUWJAMCJLW-JXMROGBWSA-N 0 0 311.385 3.352 20 10 DGCDRN CC1(C)C[C@@H]1NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000840409614 628339049 /nfs/dbraw/zinc/33/90/49/628339049.db2.gz MPNYMVAVOXFMTO-INIZCTEOSA-N 0 0 314.385 3.496 20 10 DGCDRN CC(C)(C)O[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000821842654 628402526 /nfs/dbraw/zinc/40/25/26/628402526.db2.gz MKLGWAONTUZUHB-IAGOWNOFSA-N 0 0 316.445 3.107 20 10 DGCDRN COc1ccc(N2CCN(C(=O)C(C)(C)C3CCC3)CC2)cc1 ZINC000822197176 628429140 /nfs/dbraw/zinc/42/91/40/628429140.db2.gz NRJXCNHVGVRPGT-UHFFFAOYSA-N 0 0 316.445 3.170 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)/C=C\[C@@H]2CCOC2)cc1 ZINC000822269710 628434504 /nfs/dbraw/zinc/43/45/04/628434504.db2.gz SYTHDRKXAQEFNH-SDMNGIDPSA-N 0 0 316.445 3.084 20 10 DGCDRN COC(=O)CC1CC([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000822480886 628456361 /nfs/dbraw/zinc/45/63/61/628456361.db2.gz GDAURBRTJXSUPU-UHFFFAOYSA-N 0 0 318.200 3.130 20 10 DGCDRN CCOC(=O)CN(Cc1ccsc1C)Cc1ccccc1O ZINC000822511852 628459416 /nfs/dbraw/zinc/45/94/16/628459416.db2.gz NTKJKYYAWQXTRR-UHFFFAOYSA-N 0 0 319.426 3.327 20 10 DGCDRN CC1(C)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CCS1 ZINC000822536244 628461696 /nfs/dbraw/zinc/46/16/96/628461696.db2.gz KQIYUZFIRKLXEH-UHFFFAOYSA-N 0 0 320.418 3.207 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccnn2C(F)F)cc1 ZINC000822607805 628470475 /nfs/dbraw/zinc/47/04/75/628470475.db2.gz NMDUMCTZQCHINR-UHFFFAOYSA-N 0 0 322.359 3.054 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cc(CC)nn1C ZINC000822756437 628490347 /nfs/dbraw/zinc/49/03/47/628490347.db2.gz FBASSGLBBIHJAL-UHFFFAOYSA-N 0 0 315.417 3.131 20 10 DGCDRN CCCCC[C@H](O)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000822819682 628498755 /nfs/dbraw/zinc/49/87/55/628498755.db2.gz XZFQSULCCXOCSB-SFHVURJKSA-N 0 0 318.461 3.234 20 10 DGCDRN Cc1cnccc1/C=C\C(=O)NCc1ccc2c(c1)CCCN2C ZINC000822867519 628504131 /nfs/dbraw/zinc/50/41/31/628504131.db2.gz AHPXRHFAGPKKON-VURMDHGXSA-N 0 0 321.424 3.102 20 10 DGCDRN COc1cccc(CNC(=O)N[C@H](C)C2CCC(F)CC2)c1O ZINC000823062966 628522032 /nfs/dbraw/zinc/52/20/32/628522032.db2.gz PPPFMGQFADHGSY-LKSINWNRSA-N 0 0 324.396 3.117 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC1(C)CCC1 ZINC000840481517 628584717 /nfs/dbraw/zinc/58/47/17/628584717.db2.gz JWZGXIVENPWMCN-AWEZNQCLSA-N 0 0 303.450 3.234 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)NOCC2CCC2)C2CC2)cc1 ZINC000824032381 628620631 /nfs/dbraw/zinc/62/06/31/628620631.db2.gz IJVISQHTSDBSAR-UHFFFAOYSA-N 0 0 317.433 3.158 20 10 DGCDRN CO[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)C1CCC1 ZINC000824261621 628645005 /nfs/dbraw/zinc/64/50/05/628645005.db2.gz HPFKPEIVHXFDGV-GOSISDBHSA-N 0 0 316.445 3.108 20 10 DGCDRN O=C(NCCCSc1nccs1)N[C@@H]1C[C@H]1C1CCC1 ZINC000824433717 628660217 /nfs/dbraw/zinc/66/02/17/628660217.db2.gz JSEOJFJAQOYPSD-NWDGAFQWSA-N 0 0 311.476 3.113 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1ccccn1 ZINC000840487540 628661222 /nfs/dbraw/zinc/66/12/22/628661222.db2.gz GKVALXLZVXCLFB-AWEZNQCLSA-N 0 0 312.417 3.209 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)[C@H](C)C1CC1 ZINC000840488104 628666295 /nfs/dbraw/zinc/66/62/95/628666295.db2.gz JIOFOASOPVYSFG-HUUCEWRRSA-N 0 0 317.477 3.432 20 10 DGCDRN CCCn1ncc(NCc2cc(OC)ccc2O)c1C1CC1 ZINC000824629728 628678587 /nfs/dbraw/zinc/67/85/87/628678587.db2.gz CXLIUPJAVLTAGM-UHFFFAOYSA-N 0 0 301.390 3.497 20 10 DGCDRN CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000824636051 628679507 /nfs/dbraw/zinc/67/95/07/628679507.db2.gz LHGIMQRHMYQDEZ-TVQRCGJNSA-N 0 0 304.217 3.292 20 10 DGCDRN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])[C@H](CO)c1ccccc1 ZINC000824696746 628684937 /nfs/dbraw/zinc/68/49/37/628684937.db2.gz RJTQONOKUDDNNT-OAHLLOKOSA-N 0 0 309.768 3.350 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000824845089 628699604 /nfs/dbraw/zinc/69/96/04/628699604.db2.gz HNXBHQFEEQAMJC-MLGOLLRUSA-N 0 0 313.800 3.071 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)C2CC2)cc1 ZINC000824860405 628701307 /nfs/dbraw/zinc/70/13/07/628701307.db2.gz UHRDSFSVYYLDPZ-MUJYYYPQSA-N 0 0 313.445 3.225 20 10 DGCDRN Oc1ccc(F)cc1C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000824892941 628704040 /nfs/dbraw/zinc/70/40/40/628704040.db2.gz GUXKMFAGZXSEDV-CVEARBPZSA-N 0 0 305.393 3.312 20 10 DGCDRN CCOc1cccc(C[N@@H+]2CCc3cccc(OC)c3C2)c1O ZINC000824982159 628713043 /nfs/dbraw/zinc/71/30/43/628713043.db2.gz AZINZYNYMNZJJA-UHFFFAOYSA-N 0 0 313.397 3.358 20 10 DGCDRN COCc1ccccc1NCc1cc(OC)c(OC)cc1O ZINC000824998618 628714878 /nfs/dbraw/zinc/71/48/78/628714878.db2.gz WNZZKIIWPIIKQB-UHFFFAOYSA-N 0 0 303.358 3.168 20 10 DGCDRN CCOc1cccc(CN(CCOC)c2ccccc2)c1O ZINC000825035421 628718942 /nfs/dbraw/zinc/71/89/42/628718942.db2.gz JLSHBSXBNKCWTR-UHFFFAOYSA-N 0 0 301.386 3.444 20 10 DGCDRN CCOCc1cc(CNCc2cnc(CC)o2)ccc1OC ZINC000825079043 628725232 /nfs/dbraw/zinc/72/52/32/628725232.db2.gz KKHCJZCZEJLAMO-UHFFFAOYSA-N 0 0 304.390 3.072 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc2[nH]ccc2c1 ZINC000825461119 628764325 /nfs/dbraw/zinc/76/43/25/628764325.db2.gz RENZPHJCXRBGGQ-UHFFFAOYSA-N 0 0 322.412 3.243 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC000825678243 628784866 /nfs/dbraw/zinc/78/48/66/628784866.db2.gz AOCXLWXNCLPCDT-VXGBXAGGSA-N 0 0 301.308 3.329 20 10 DGCDRN CC(C)n1ccnc1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000825710326 628788614 /nfs/dbraw/zinc/78/86/14/628788614.db2.gz MATYHNPZEPEFLQ-UHFFFAOYSA-N 0 0 324.222 3.222 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Cc2cc(C)ccc2F)c1 ZINC000825736752 628792840 /nfs/dbraw/zinc/79/28/40/628792840.db2.gz IQXGLHONCCCLDD-GFCCVEGCSA-N 0 0 317.360 3.268 20 10 DGCDRN CC[C@@H]1CN(Cc2cc(Cl)c(C)cc2O)C[C@@H](C)[S@]1=O ZINC000825886830 628807499 /nfs/dbraw/zinc/80/74/99/628807499.db2.gz QQVPFVHTYVVBCR-JNHSQIPHSA-N 0 0 315.866 3.085 20 10 DGCDRN Cc1noc([C@H]2CCCN2Cc2cc(Cl)c(C)cc2O)n1 ZINC000825899765 628809121 /nfs/dbraw/zinc/80/91/21/628809121.db2.gz DVTFHMOBZHQXCQ-CYBMUJFWSA-N 0 0 307.781 3.383 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cccc(N)c2)cc1 ZINC000826020844 628821052 /nfs/dbraw/zinc/82/10/52/628821052.db2.gz XTJDKWUFOFGKAL-UHFFFAOYSA-N 0 0 311.429 3.387 20 10 DGCDRN C[C@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)CC(F)F ZINC000826530174 628856418 /nfs/dbraw/zinc/85/64/18/628856418.db2.gz CMZVTVJYMHXJCM-RYUDHWBXSA-N 0 0 313.392 3.404 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C=C\c1cccnc1C)C[C@@H](C)O2 ZINC000826562389 628859855 /nfs/dbraw/zinc/85/98/55/628859855.db2.gz LONOACGZPHRAPE-OYVUYXNMSA-N 0 0 324.380 3.226 20 10 DGCDRN CC[C@H]([NH2+]C1CCC(NC(=O)[O-])CC1)c1ccc(N(C)C)cc1 ZINC000826618442 628864744 /nfs/dbraw/zinc/86/47/44/628864744.db2.gz DXKHMAVRVDJRNA-DQPZFDDXSA-N 0 0 319.449 3.372 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](OC)C2CCC2)cc1F ZINC000826943732 628905757 /nfs/dbraw/zinc/90/57/57/628905757.db2.gz ZNYDKBRIJDGKTJ-KRWDZBQOSA-N 0 0 322.424 3.103 20 10 DGCDRN Oc1ccc(-c2ccccc2)cc1CN1CC[C@@H](O)C(F)(F)C1 ZINC000826958449 628907583 /nfs/dbraw/zinc/90/75/83/628907583.db2.gz QBMXKQBCMNINAV-QGZVFWFLSA-N 0 0 319.351 3.261 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C=C(\C)c1cnccn1)CCCC2 ZINC000827028287 628914484 /nfs/dbraw/zinc/91/44/84/628914484.db2.gz VPRDNHUQNIXZNI-SDNWHVSQSA-N 0 0 323.396 3.258 20 10 DGCDRN C[C@@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)CC(F)F ZINC000827155018 628929431 /nfs/dbraw/zinc/92/94/31/628929431.db2.gz MTSHIRUMWHVKEE-GFCCVEGCSA-N 0 0 313.392 3.185 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000827179447 628932762 /nfs/dbraw/zinc/93/27/62/628932762.db2.gz YBDBPZDNHSJUPS-CABCVRRESA-N 0 0 307.752 3.453 20 10 DGCDRN Cc1nc2c(s1)[C@H](N(C)C(=O)C1=CC(=O)CS1)CCC2 ZINC000827293462 628945901 /nfs/dbraw/zinc/94/59/01/628945901.db2.gz ZDHDBCFIUCGWIU-LLVKDONJSA-N 0 0 308.428 3.368 20 10 DGCDRN COc1ccc(N(C)C[C@H](Cc2ccccc2)OC)cc1OC ZINC000827492088 628963460 /nfs/dbraw/zinc/96/34/60/628963460.db2.gz ULAWQAUWOHGWQG-KRWDZBQOSA-N 0 0 315.413 3.398 20 10 DGCDRN CC(C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)=C1CCC1 ZINC000827557919 628970829 /nfs/dbraw/zinc/97/08/29/628970829.db2.gz RMZQFBKLRTWKNO-QGZVFWFLSA-N 0 0 315.413 3.400 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000827631755 628978606 /nfs/dbraw/zinc/97/86/06/628978606.db2.gz QDELGGGYLBAYHP-SOUVJXGZSA-N 0 0 314.429 3.259 20 10 DGCDRN Cc1cc(Cl)cc(CN2CCOc3ccc(O)cc3C2)c1O ZINC000827655915 628980457 /nfs/dbraw/zinc/98/04/57/628980457.db2.gz FCJVFBFYKZCONG-UHFFFAOYSA-N 0 0 319.788 3.454 20 10 DGCDRN COC(=O)[C@@H]1CCCN1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000827684438 628983025 /nfs/dbraw/zinc/98/30/25/628983025.db2.gz DQYAYKXYOZBRQP-SFHVURJKSA-N 0 0 316.445 3.123 20 10 DGCDRN CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2ccccc2O)c1C ZINC000827915893 629003134 /nfs/dbraw/zinc/00/31/34/629003134.db2.gz DGNWKHFEAFAGFL-SNVBAGLBSA-N 0 0 300.358 3.031 20 10 DGCDRN CCc1nc2ccccc2n1CC(=O)N[C@H](C)c1ccccc1O ZINC000827923254 629003878 /nfs/dbraw/zinc/00/38/78/629003878.db2.gz MYGAYKJXXPFZQL-CYBMUJFWSA-N 0 0 323.396 3.182 20 10 DGCDRN C[C@@H](NC(=O)CCCn1cnc2ccccc21)c1ccccc1O ZINC000827930454 629004958 /nfs/dbraw/zinc/00/49/58/629004958.db2.gz KPFPFVCEHVGSKT-CQSZACIVSA-N 0 0 323.396 3.400 20 10 DGCDRN C[C@@H](NC(=O)[C@@H]1C[C@]12CCc1ccccc12)c1ccccc1O ZINC000827936928 629005201 /nfs/dbraw/zinc/00/52/01/629005201.db2.gz GVJBVTJWEPYDJL-VOWSPCBNSA-N 0 0 307.393 3.474 20 10 DGCDRN C[C@@H](NC(=O)C[C@H]1OCCc2ccccc21)c1ccccc1O ZINC000827937320 629005447 /nfs/dbraw/zinc/00/54/47/629005447.db2.gz RQSNNWLPAZPCAO-FZKQIMNGSA-N 0 0 311.381 3.274 20 10 DGCDRN CC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2O)c(C)nc1C ZINC000827940320 629005890 /nfs/dbraw/zinc/00/58/90/629005890.db2.gz AMLLJTRJAJYJQZ-SNVBAGLBSA-N 0 0 312.369 3.098 20 10 DGCDRN C[C@@H](NC(=O)c1cccc([C@H]2CCOC2)c1)c1ccccc1O ZINC000827941912 629006127 /nfs/dbraw/zinc/00/61/27/629006127.db2.gz ZYDLWJFVWPDZLT-CJNGLKHVSA-N 0 0 311.381 3.387 20 10 DGCDRN Cc1cccnc1C(F)(F)C(=O)N[C@H](C)c1ccccc1O ZINC000827946275 629006361 /nfs/dbraw/zinc/00/63/61/629006361.db2.gz CFOFZPBHBRNTBH-LLVKDONJSA-N 0 0 306.312 3.065 20 10 DGCDRN C[C@H](NC(=O)Cc1ccc2c(c1)CCCO2)c1ccccc1O ZINC000827961004 629008254 /nfs/dbraw/zinc/00/82/54/629008254.db2.gz ZYEQYHOJCCIUBU-ZDUSSCGKSA-N 0 0 311.381 3.137 20 10 DGCDRN C[C@H](NC(=O)c1cccc(N2CCCC2)c1)c1ccccc1O ZINC000827960499 629008282 /nfs/dbraw/zinc/00/82/82/629008282.db2.gz PYPYMALKIQHPNH-AWEZNQCLSA-N 0 0 310.397 3.483 20 10 DGCDRN C[C@H](NC(=O)Cc1cc(C(F)(F)F)ccn1)c1ccccc1O ZINC000827964263 629008847 /nfs/dbraw/zinc/00/88/47/629008847.db2.gz JUTVFWIJLVLNSP-JTQLQIEISA-N 0 0 324.302 3.226 20 10 DGCDRN C[C@H](NC(=O)[C@H]1CCC(=O)c2ccccc21)c1ccccc1O ZINC000827964591 629009193 /nfs/dbraw/zinc/00/91/93/629009193.db2.gz RLPZBEAXXSCIAQ-LRDDRELGSA-N 0 0 309.365 3.330 20 10 DGCDRN COc1ccc(C(=O)N[C@@H](C)c2ccccc2O)c(C)c1OC ZINC000827964894 629009207 /nfs/dbraw/zinc/00/92/07/629009207.db2.gz ZJSYMUCMMCQRRX-LBPRGKRZSA-N 0 0 315.369 3.209 20 10 DGCDRN C[C@H](NC(=O)[C@H]1CCC(=O)[C@@H](C)C1(C)C)c1ccccc1O ZINC000827968981 629009241 /nfs/dbraw/zinc/00/92/41/629009241.db2.gz DPGVMFGVVPHELE-MBNYWOFBSA-N 0 0 303.402 3.211 20 10 DGCDRN C[C@H](NC(=O)c1noc2c1CCCCC2)c1ccccc1O ZINC000827969033 629009455 /nfs/dbraw/zinc/00/94/55/629009455.db2.gz GHLUXJSPWOOVSD-NSHDSACASA-N 0 0 300.358 3.140 20 10 DGCDRN CC(C)Oc1cccc(C(=O)N[C@@H](C)c2ccccc2O)n1 ZINC000827972907 629009863 /nfs/dbraw/zinc/00/98/63/629009863.db2.gz CRYMREDIRZYBQA-LBPRGKRZSA-N 0 0 300.358 3.065 20 10 DGCDRN CCCCn1ncc(C(=O)N[C@@H](C)c2ccccc2O)c1C ZINC000827973146 629010047 /nfs/dbraw/zinc/01/00/47/629010047.db2.gz ITCSVHQIWCIYCZ-LBPRGKRZSA-N 0 0 301.390 3.188 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000828290743 629041947 /nfs/dbraw/zinc/04/19/47/629041947.db2.gz JMBKKTNMKFIFIC-LLVKDONJSA-N 0 0 319.386 3.082 20 10 DGCDRN C[C@@H](NCc1nnc(C2CC2)s1)c1ccc(N(C)C)cc1 ZINC000828959598 629113703 /nfs/dbraw/zinc/11/37/03/629113703.db2.gz NSBUCAMSBMSFQM-LLVKDONJSA-N 0 0 302.447 3.332 20 10 DGCDRN COc1ccc(C[NH2+]C[C@H](NC(=O)[O-])c2ccccc2)cc1C ZINC000829390132 629154929 /nfs/dbraw/zinc/15/49/29/629154929.db2.gz YTGWBTAGADHSAQ-INIZCTEOSA-N 0 0 314.385 3.102 20 10 DGCDRN CCOc1ccc(C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c(O)c1 ZINC000830074935 629222272 /nfs/dbraw/zinc/22/22/72/629222272.db2.gz AJJJYQSEDJLFAO-RCBQFDQVSA-N 0 0 319.401 3.009 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2C2CCC2)c1O ZINC000830234196 629241999 /nfs/dbraw/zinc/24/19/99/629241999.db2.gz BSBXNIVRDCUHTR-MRXNPFEDSA-N 0 0 323.820 3.249 20 10 DGCDRN COc1ccc(CNC(=O)c2cccc3c2CCCC3)c(O)c1 ZINC000831032475 629332494 /nfs/dbraw/zinc/33/24/94/629332494.db2.gz DLKDQDZPLIENBG-UHFFFAOYSA-N 0 0 311.381 3.210 20 10 DGCDRN CCCCCn1nc(C)cc1NC(=O)Cc1ccc(N)cc1 ZINC000831042936 629333777 /nfs/dbraw/zinc/33/37/77/629333777.db2.gz XUTIXHQYBPOTPQ-UHFFFAOYSA-N 0 0 300.406 3.145 20 10 DGCDRN C[C@@H](NS(=O)(=O)CCC1CCCC1)c1ccc(N(C)C)cc1 ZINC000831141045 629342898 /nfs/dbraw/zinc/34/28/98/629342898.db2.gz QWYCOEFCDXUBGC-CQSZACIVSA-N 0 0 324.490 3.313 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cc(Cl)n(C)n1 ZINC000831413050 629374788 /nfs/dbraw/zinc/37/47/88/629374788.db2.gz UJOJWTIBIGQTPL-UHFFFAOYSA-N 0 0 321.808 3.222 20 10 DGCDRN Nc1ccc(CC(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000831447636 629378514 /nfs/dbraw/zinc/37/85/14/629378514.db2.gz AVFUNFGQJADSRN-VQIMIIECSA-N 0 0 324.424 3.095 20 10 DGCDRN CC(C)(C)C[C@H](NC(=O)Cc1ccc(N)cc1)C(F)(F)F ZINC000831529010 629386966 /nfs/dbraw/zinc/38/69/66/629386966.db2.gz ZEDXZTYISUZHDL-LBPRGKRZSA-N 0 0 302.340 3.295 20 10 DGCDRN COc1ccc(N(CCOC[C@H]2CCCO2)CC2CC2)cc1 ZINC000831587486 629393586 /nfs/dbraw/zinc/39/35/86/629393586.db2.gz BFXSCKJVONBKPP-GOSISDBHSA-N 0 0 305.418 3.107 20 10 DGCDRN CCC(C)(C)NC(=O)CN(CC1CC1)c1ccc(OC)cc1 ZINC000831582923 629393761 /nfs/dbraw/zinc/39/37/61/629393761.db2.gz KSWNUQGMHVOUEX-UHFFFAOYSA-N 0 0 304.434 3.216 20 10 DGCDRN CNC(=O)c1cccc(CN(CC2CC2)c2ccc(OC)cc2)c1 ZINC000831587991 629393962 /nfs/dbraw/zinc/39/39/62/629393962.db2.gz QEAMBWSRYZXYDN-UHFFFAOYSA-N 0 0 324.424 3.471 20 10 DGCDRN CCOCCN(C)C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000831639037 629400068 /nfs/dbraw/zinc/40/00/68/629400068.db2.gz UPWUIESGWJIKDT-UHFFFAOYSA-N 0 0 314.429 3.132 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(C2CC2)cc1 ZINC000831931004 629429520 /nfs/dbraw/zinc/42/95/20/629429520.db2.gz LGYPMXAXODQZFL-GFCCVEGCSA-N 0 0 311.381 3.336 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Nc2cccnc2F)cc1 ZINC000832115319 629443145 /nfs/dbraw/zinc/44/31/45/629443145.db2.gz PADSFOJOZJQKIH-UHFFFAOYSA-N 0 0 316.380 3.389 20 10 DGCDRN Cc1ccn([C@H](C)CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000832437107 629480020 /nfs/dbraw/zinc/48/00/20/629480020.db2.gz XDEHZOYEBIKRGY-HUUCEWRRSA-N 0 0 314.433 3.086 20 10 DGCDRN CC(=O)c1cc(F)cc(C[NH2+]C2(C(=O)[O-])CCCCCC2)c1O ZINC000833400872 629598782 /nfs/dbraw/zinc/59/87/82/629598782.db2.gz OXXQRRUEPFKUEA-UHFFFAOYSA-N 0 0 323.364 3.001 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)CC(C)(C)CO)cc1 ZINC000834052639 629667270 /nfs/dbraw/zinc/66/72/70/629667270.db2.gz KCSZPHWAQMJLEU-UHFFFAOYSA-N 0 0 314.429 3.185 20 10 DGCDRN CSCC1CCC(NC(=O)c2ccc(C)c(O)c2O)CC1 ZINC000834289159 629686728 /nfs/dbraw/zinc/68/67/28/629686728.db2.gz QWBRCRQVNYRSOJ-UHFFFAOYSA-N 0 0 309.431 3.058 20 10 DGCDRN COCCn1ncc2ccc(N[C@H]3CCc4cccc(O)c43)cc21 ZINC000834748258 629773025 /nfs/dbraw/zinc/77/30/25/629773025.db2.gz RBZLBGDZXYVRTI-INIZCTEOSA-N 0 0 323.396 3.488 20 10 DGCDRN CO[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])Cc1ccccc1 ZINC000834856021 629791533 /nfs/dbraw/zinc/79/15/33/629791533.db2.gz KFIHBPJMJXCOAT-BBRMVZONSA-N 0 0 303.377 3.440 20 10 DGCDRN Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1C ZINC000834916445 629807995 /nfs/dbraw/zinc/80/79/95/629807995.db2.gz YUAZMYYJKJOXHB-WMLDXEAASA-N 0 0 317.404 3.402 20 10 DGCDRN CN(C)c1ccc(/C=C\CN2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000835025877 629828273 /nfs/dbraw/zinc/82/82/73/629828273.db2.gz MICGULCIEYDTHJ-JZIMQPMSSA-N 0 0 314.351 3.029 20 10 DGCDRN COCCc1ccnc(NC/C=C/c2ccc(N(C)C)cc2)c1 ZINC000835053143 629837490 /nfs/dbraw/zinc/83/74/90/629837490.db2.gz SZTGSWTUPRKLFT-SNAWJCMRSA-N 0 0 311.429 3.462 20 10 DGCDRN Cc1noc([C@@H]2CCCN2C/C=C\c2ccc(N(C)C)cc2)n1 ZINC000835052913 629837683 /nfs/dbraw/zinc/83/76/83/629837683.db2.gz IPMBFLWYSIOPJP-AATOQMJSSA-N 0 0 312.417 3.294 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@@H]2CC[C@H](C)O2)c1 ZINC000835086088 629847468 /nfs/dbraw/zinc/84/74/68/629847468.db2.gz FBIKOAMCXAAVSR-JQWIXIFHSA-N 0 0 314.223 3.120 20 10 DGCDRN Cc1cnccc1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000121403690 629915007 /nfs/dbraw/zinc/91/50/07/629915007.db2.gz HSWDJQRJEMEHOR-UHFFFAOYSA-N 0 0 308.385 3.088 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccnn1C ZINC000102348169 630075376 /nfs/dbraw/zinc/07/53/76/630075376.db2.gz HNSJEDKSIBLIKK-UHFFFAOYSA-N 0 0 300.387 3.141 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2C[C@@H](C3CC3)[C@H]2C2CC2)cc1 ZINC000836237117 630087956 /nfs/dbraw/zinc/08/79/56/630087956.db2.gz WILXXKWPNUWSQE-ZWKOTPCHSA-N 0 0 313.445 3.083 20 10 DGCDRN CC[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C(F)F ZINC000836244055 630089174 /nfs/dbraw/zinc/08/91/74/630089174.db2.gz LTUFYKLZDDODCN-AWEZNQCLSA-N 0 0 311.376 3.130 20 10 DGCDRN CC[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C(F)F ZINC000836244057 630089218 /nfs/dbraw/zinc/08/92/18/630089218.db2.gz LTUFYKLZDDODCN-CQSZACIVSA-N 0 0 311.376 3.130 20 10 DGCDRN CC[C@@H](NC(=O)NCc1ccc(N(CC)CC)cc1)C(F)F ZINC000836243063 630089248 /nfs/dbraw/zinc/08/92/48/630089248.db2.gz TWAJFHPFMHYEJK-CQSZACIVSA-N 0 0 313.392 3.376 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)N3CC[C@@H](F)C3)cc2)CC1 ZINC000836290345 630094548 /nfs/dbraw/zinc/09/45/48/630094548.db2.gz YFXJMIBACWAFJS-MRXNPFEDSA-N 0 0 319.424 3.176 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)NOC2CCC2)cc1 ZINC000836566528 630134575 /nfs/dbraw/zinc/13/45/75/630134575.db2.gz GZMWAKMFBGHRKT-UHFFFAOYSA-N 0 0 305.422 3.158 20 10 DGCDRN C[C@]1(CCNC(=O)NCc2ccccc2O)CC1(Cl)Cl ZINC000836620647 630142586 /nfs/dbraw/zinc/14/25/86/630142586.db2.gz PZIQVUKCGDIADS-ZDUSSCGKSA-N 0 0 317.216 3.165 20 10 DGCDRN COc1ccc(CNC(=O)NCC(C)(C)C2=CCCC2)c(O)c1 ZINC000836674669 630149954 /nfs/dbraw/zinc/14/99/54/630149954.db2.gz QHWNOZCAEZNOOR-UHFFFAOYSA-N 0 0 318.417 3.337 20 10 DGCDRN COc1cccc(CNC(=O)Nc2scnc2C(C)C)c1O ZINC000836740225 630157392 /nfs/dbraw/zinc/15/73/92/630157392.db2.gz MHVJSNAWESUADO-UHFFFAOYSA-N 0 0 321.402 3.302 20 10 DGCDRN CC[C@@H](NC(=O)c1sccc1-n1c(C)ccc1C)[C@H](C)O ZINC000836860829 630175341 /nfs/dbraw/zinc/17/53/41/630175341.db2.gz NMLKUPLNQSSAOT-QWHCGFSZSA-N 0 0 306.431 3.045 20 10 DGCDRN CC(C)(C)C[C@@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000837168337 630221393 /nfs/dbraw/zinc/22/13/93/630221393.db2.gz UXCGNLYREQUXGO-VSKVDJIOSA-N 0 0 303.402 3.396 20 10 DGCDRN Nc1ccc(CNC(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1 ZINC000837302843 630237183 /nfs/dbraw/zinc/23/71/83/630237183.db2.gz JMMBBJRBYICOBH-UHFFFAOYSA-N 0 0 322.408 3.037 20 10 DGCDRN C[C@H](CC(F)(F)F)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000837342352 630244037 /nfs/dbraw/zinc/24/40/37/630244037.db2.gz SKVGEIXHAJVXPO-GFCCVEGCSA-N 0 0 314.351 3.492 20 10 DGCDRN C[C@@H](C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C1CCC1 ZINC000837367901 630248445 /nfs/dbraw/zinc/24/84/45/630248445.db2.gz LFGSPXLYKIYNQB-CABCVRRESA-N 0 0 316.445 3.137 20 10 DGCDRN C[C@@H](NC(=O)[C@H](C)C1CCC1)c1ccc(N2CCOCC2)cc1 ZINC000837367903 630248581 /nfs/dbraw/zinc/24/85/81/630248581.db2.gz LFGSPXLYKIYNQB-HUUCEWRRSA-N 0 0 316.445 3.137 20 10 DGCDRN C[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)C1CCCCC1 ZINC000837589235 630280731 /nfs/dbraw/zinc/28/07/31/630280731.db2.gz XLXPFYSAEMZASM-OANVXVOSSA-N 0 0 318.369 3.192 20 10 DGCDRN C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)C1CCCCC1 ZINC000837589238 630280857 /nfs/dbraw/zinc/28/08/57/630280857.db2.gz XLXPFYSAEMZASM-ZJNQMXKESA-N 0 0 318.369 3.192 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cccc(O)c1 ZINC000840556088 630337467 /nfs/dbraw/zinc/33/74/67/630337467.db2.gz KXQAPTXYOMQMPY-AWEZNQCLSA-N 0 0 312.413 3.128 20 10 DGCDRN CCN1C(=O)C(C)(C)N[C@H]1c1cc(Cl)c2ccccc2c1O ZINC000840838697 630365046 /nfs/dbraw/zinc/36/50/46/630365046.db2.gz RSAPZEFQXAQYDV-OAHLLOKOSA-N 0 0 318.804 3.428 20 10 DGCDRN C[C@H](NCc1nccc(C(F)(F)F)n1)c1cc(F)ccc1O ZINC000840869649 630369724 /nfs/dbraw/zinc/36/97/24/630369724.db2.gz NMKRRYAUYOSBCW-QMMMGPOBSA-N 0 0 315.270 3.191 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)OCC2CC2)c1 ZINC000840877567 630370686 /nfs/dbraw/zinc/37/06/86/630370686.db2.gz YQTKAURHDQQAJR-LBPRGKRZSA-N 0 0 321.417 3.035 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ccc(NC(=O)C2CC2)nc1 ZINC000840879920 630371206 /nfs/dbraw/zinc/37/12/06/630371206.db2.gz UWIZGLNRTZMGBU-UHFFFAOYSA-N 0 0 324.428 3.417 20 10 DGCDRN CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000840889943 630373104 /nfs/dbraw/zinc/37/31/04/630373104.db2.gz JJTOZXHINYSFQQ-IUCAKERBSA-N 0 0 319.232 3.263 20 10 DGCDRN Cc1cc(O)c(CNc2ccc(N(C)CCO)cc2)c(Cl)c1 ZINC000840905527 630375696 /nfs/dbraw/zinc/37/56/96/630375696.db2.gz JHTQNFPMKKMULL-UHFFFAOYSA-N 0 0 320.820 3.395 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ccc(N(C)CCO)cc1 ZINC000840925266 630379480 /nfs/dbraw/zinc/37/94/80/630379480.db2.gz KCZHMLIPJCIGDN-UHFFFAOYSA-N 0 0 313.445 3.102 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1cccc(-c2ncn(C)n2)c1 ZINC000840937677 630380872 /nfs/dbraw/zinc/38/08/72/630380872.db2.gz URTQLFHICGZFDN-UHFFFAOYSA-N 0 0 321.428 3.469 20 10 DGCDRN Cc1noc([C@@H]2CCCCN2Cc2ccc(N(C)C)cc2C)n1 ZINC000840946553 630382069 /nfs/dbraw/zinc/38/20/69/630382069.db2.gz QZGBSFSQPLSQBW-KRWDZBQOSA-N 0 0 314.433 3.480 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1CC(C)(C)[C@@H]1c1nccn1C ZINC000840951182 630383392 /nfs/dbraw/zinc/38/33/92/630383392.db2.gz TXSPRDILKUGXGA-KRWDZBQOSA-N 0 0 312.461 3.378 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000840956715 630385388 /nfs/dbraw/zinc/38/53/88/630385388.db2.gz CSLURHRDQUVURS-HOCLYGCPSA-N 0 0 321.779 3.493 20 10 DGCDRN CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C1CC(C)(C)C1 ZINC000840972127 630388910 /nfs/dbraw/zinc/38/89/10/630388910.db2.gz ZFFFIZJMRZWHFH-UHFFFAOYSA-N 0 0 308.378 3.320 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C2(C(F)(F)F)CCCC2)cc1 ZINC000841017837 630396345 /nfs/dbraw/zinc/39/63/45/630396345.db2.gz IQGLSTAMEUCUSD-UHFFFAOYSA-N 0 0 314.351 3.492 20 10 DGCDRN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)Nc1ccc(N)cc1 ZINC000841297304 630424474 /nfs/dbraw/zinc/42/44/74/630424474.db2.gz DTVWDEPBKNOUMZ-SJCJKPOMSA-N 0 0 311.385 3.125 20 10 DGCDRN CC(C)[C@@H](NC(=O)Nc1ccc(N)cc1)[C@@H](O)c1ccccc1 ZINC000841297556 630424628 /nfs/dbraw/zinc/42/46/28/630424628.db2.gz SWHUWXCHXDGACP-SJORKVTESA-N 0 0 313.401 3.149 20 10 DGCDRN Nc1ccc(NC(=O)NC[C@H]2CC[C@@H](c3ccccc3)O2)cc1 ZINC000841299286 630424926 /nfs/dbraw/zinc/42/49/26/630424926.db2.gz IDGOKTDOINKDLK-SJORKVTESA-N 0 0 311.385 3.311 20 10 DGCDRN CC(C)(C)c1csc(CNC(=O)Nc2ccc(N)cc2)n1 ZINC000841299591 630424966 /nfs/dbraw/zinc/42/49/66/630424966.db2.gz FIZVHCYHMZPGMP-UHFFFAOYSA-N 0 0 304.419 3.345 20 10 DGCDRN CC(C)[C@@H](NC(=O)Nc1ccc(N)cc1)c1nc(C2CC2)no1 ZINC000841301170 630425062 /nfs/dbraw/zinc/42/50/62/630425062.db2.gz DPRBJLVEMAFZCQ-CYBMUJFWSA-N 0 0 315.377 3.048 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)OCCCF)cc1F ZINC000841483871 630441303 /nfs/dbraw/zinc/44/13/03/630441303.db2.gz MLQJUZQYUGWPIL-UHFFFAOYSA-N 0 0 300.349 3.258 20 10 DGCDRN C[C@@H]([NH2+]CCC(=O)N1CCCCCC1)c1ccc(Cl)cc1[O-] ZINC000841746571 630461767 /nfs/dbraw/zinc/46/17/67/630461767.db2.gz IJXNMCNSSPKSFZ-CYBMUJFWSA-N 0 0 324.852 3.489 20 10 DGCDRN Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C2 ZINC000841745730 630462018 /nfs/dbraw/zinc/46/20/18/630462018.db2.gz SMXUNQUEEVZZFQ-HZMBPMFUSA-N 0 0 317.820 3.352 20 10 DGCDRN C[C@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1ccc(Cl)cc1[O-] ZINC000841764112 630463286 /nfs/dbraw/zinc/46/32/86/630463286.db2.gz PDWLNOLZMFENLF-LBPRGKRZSA-N 0 0 324.852 3.345 20 10 DGCDRN CCOCc1cc(C[NH2+]C2(C(=O)[O-])CCCCC2)ccc1OC ZINC000841800628 630466257 /nfs/dbraw/zinc/46/62/57/630466257.db2.gz IQZUWNLXDFOYOX-UHFFFAOYSA-N 0 0 321.417 3.109 20 10 DGCDRN CCN(CC)c1ccc(CN(C)Cc2cc(C)nn2C)cc1 ZINC000841827710 630469639 /nfs/dbraw/zinc/46/96/39/630469639.db2.gz CHVUJEVTJIEOLT-UHFFFAOYSA-N 0 0 300.450 3.207 20 10 DGCDRN COc1ccc(N(C)Cc2ccccc2C(=O)N(C)C)cc1F ZINC000841867611 630472629 /nfs/dbraw/zinc/47/26/29/630472629.db2.gz OLNKNMTYKSAUHF-UHFFFAOYSA-N 0 0 316.376 3.173 20 10 DGCDRN Nc1ccc(CCNC(=O)NCc2ccc(C3CC3)cc2)cc1 ZINC000841889079 630473738 /nfs/dbraw/zinc/47/37/38/630473738.db2.gz MXYURZVFKBQWNQ-UHFFFAOYSA-N 0 0 309.413 3.188 20 10 DGCDRN Cc1ccc(F)c(CN(C)C(=O)NCCc2ccc(N)cc2)c1 ZINC000841957513 630477154 /nfs/dbraw/zinc/47/71/54/630477154.db2.gz CLNFLYSISCXALC-UHFFFAOYSA-N 0 0 315.392 3.100 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CCC[C@H]2Cc2ccccc2)cc1 ZINC000841962202 630477212 /nfs/dbraw/zinc/47/72/12/630477212.db2.gz NEQSUVVUJZTHQA-IBGZPJMESA-N 0 0 323.440 3.228 20 10 DGCDRN CN(C)c1ccc(/C=C\CNCC(F)(F)Br)cc1 ZINC000842209907 630505673 /nfs/dbraw/zinc/50/56/73/630505673.db2.gz KZUMLGRTTURTDI-ARJAWSKDSA-N 0 0 319.193 3.343 20 10 DGCDRN CC(=O)N(C)c1ccc(NC/C=C/c2ccc(N(C)C)cc2)cn1 ZINC000842223794 630506185 /nfs/dbraw/zinc/50/61/85/630506185.db2.gz PJIUDRMJKWSIQR-AATRIKPKSA-N 0 0 324.428 3.256 20 10 DGCDRN CC(C)Cn1nccc1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000842673987 630561770 /nfs/dbraw/zinc/56/17/70/630561770.db2.gz SNHJPTNMZOGMBS-UHFFFAOYSA-N 0 0 312.461 3.211 20 10 DGCDRN CCCSCC(=O)OC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000842877889 630588450 /nfs/dbraw/zinc/58/84/50/630588450.db2.gz JGUCBIYXKNJUDQ-CQSZACIVSA-N 0 0 323.458 3.208 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)[C@H](C)CSC)C2)cc1 ZINC000842880109 630588561 /nfs/dbraw/zinc/58/85/61/630588561.db2.gz YJFORLVFZSBWGR-ZIAGYGMSSA-N 0 0 323.458 3.064 20 10 DGCDRN CC[C@@H](SC)C(=O)OC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000842878153 630588671 /nfs/dbraw/zinc/58/86/71/630588671.db2.gz HTYFXQOTLOARKE-XJKSGUPXSA-N 0 0 323.458 3.206 20 10 DGCDRN COc1cccc(CNC(=O)Nc2ccc(C)c(F)c2)c1O ZINC000104974686 630600417 /nfs/dbraw/zinc/60/04/17/630600417.db2.gz RCMKVHXUVWEKCR-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN COc1cccc(CNC(=O)Nc2ccc(C)cc2F)c1O ZINC000104975601 630600907 /nfs/dbraw/zinc/60/09/07/630600907.db2.gz FGWYBANNUXCNSF-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN Cn1c2ccc(OC(=O)COC(F)F)cc2c2c1CCCC2 ZINC000843022215 630604767 /nfs/dbraw/zinc/60/47/67/630604767.db2.gz ZQUIDPSIKAVPJF-UHFFFAOYSA-N 0 0 309.312 3.202 20 10 DGCDRN C[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H]1C(=O)[O-] ZINC000843040135 630606260 /nfs/dbraw/zinc/60/62/60/630606260.db2.gz GRAVLDIXAATMNM-YJBOKZPZSA-N 0 0 316.445 3.220 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000843041560 630607053 /nfs/dbraw/zinc/60/70/53/630607053.db2.gz SFJGTWOMZFIAEZ-WMLDXEAASA-N 0 0 304.434 3.075 20 10 DGCDRN CC[C@H]([NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)C(=O)[O-] ZINC000843040655 630607104 /nfs/dbraw/zinc/60/71/04/630607104.db2.gz WYRCLOVSLZQFEM-INIZCTEOSA-N 0 0 318.442 3.337 20 10 DGCDRN CCC[N@H+](Cc1cc(Cl)cc(F)c1[O-])C1CC[NH2+]CC1 ZINC000843044933 630607618 /nfs/dbraw/zinc/60/76/18/630607618.db2.gz MOKLIOHLKOCADP-UHFFFAOYSA-N 0 0 300.805 3.149 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000843055682 630609334 /nfs/dbraw/zinc/60/93/34/630609334.db2.gz NERPHKVBJCXVPW-GFCCVEGCSA-N 0 0 301.217 3.025 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000843129038 630617185 /nfs/dbraw/zinc/61/71/85/630617185.db2.gz PLZRMTAJLUXMBN-CYBMUJFWSA-N 0 0 315.244 3.463 20 10 DGCDRN CCC[C@@H]1C[C@@H](c2nc(Cc3ccc(N)cc3)no2)CCO1 ZINC000843158647 630622847 /nfs/dbraw/zinc/62/28/47/630622847.db2.gz FQDYTIZJRUKZKO-DZGCQCFKSA-N 0 0 301.390 3.305 20 10 DGCDRN CC[C@H](C)n1nc(-c2nc(Cc3ccc(N)cc3)no2)cc1C ZINC000843160655 630623325 /nfs/dbraw/zinc/62/33/25/630623325.db2.gz ZKTMOURXUAKCIP-NSHDSACASA-N 0 0 311.389 3.386 20 10 DGCDRN CCC[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCN(C)C1 ZINC000843421858 630655656 /nfs/dbraw/zinc/65/56/56/630655656.db2.gz IOQWCTNAWPVBNY-GFCCVEGCSA-N 0 0 300.805 3.101 20 10 DGCDRN CCC[N@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCN(C)C1 ZINC000843423112 630656577 /nfs/dbraw/zinc/65/65/77/630656577.db2.gz WPUKXMBQFBXYIK-CYBMUJFWSA-N 0 0 300.805 3.101 20 10 DGCDRN COc1cc(O)c(CNc2n[nH]c(C(C)C)c2C)cc1OC ZINC000843425999 630656783 /nfs/dbraw/zinc/65/67/83/630656783.db2.gz BBDQMRSMPSFCNA-UHFFFAOYSA-N 0 0 305.378 3.176 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H](CCO)c1ccccc1F ZINC000843429322 630657353 /nfs/dbraw/zinc/65/73/53/630657353.db2.gz ARAVBRWNZMGSFT-HNNXBMFYSA-N 0 0 309.768 3.398 20 10 DGCDRN COc1ccc2c(c1)C[C@H](C)N(C(=O)Cc1ccc(N)cc1)[C@H]2C ZINC000843496125 630662796 /nfs/dbraw/zinc/66/27/96/630662796.db2.gz ZVQGQBIRZJORLN-KBPBESRZSA-N 0 0 324.424 3.354 20 10 DGCDRN CC(C)[C@H]1N(C(=O)/C=C/c2ccc(O)c(O)c2)CC12CC=CC2 ZINC000844094863 630708948 /nfs/dbraw/zinc/70/89/48/630708948.db2.gz DHWPXMLTSHTROC-JHTBKMLMSA-N 0 0 313.397 3.314 20 10 DGCDRN CC(C)[C@H]1N(C(=O)/C=C\c2ccc(O)c(O)c2)CC12CC=CC2 ZINC000844094867 630709066 /nfs/dbraw/zinc/70/90/66/630709066.db2.gz DHWPXMLTSHTROC-XOWYPZSQSA-N 0 0 313.397 3.314 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2CO[C@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000844104407 630709517 /nfs/dbraw/zinc/70/95/17/630709517.db2.gz DKGJDMDBZCHWHW-ZBFHGGJFSA-N 0 0 312.413 3.310 20 10 DGCDRN CCN(CC)c1ccc(CN(C)Cc2snnc2C)cc1 ZINC000844269457 630714901 /nfs/dbraw/zinc/71/49/01/630714901.db2.gz GWNCKNBANNVHED-UHFFFAOYSA-N 0 0 304.463 3.325 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]C[C@H](CC2CC2)C(=O)[O-])cc1 ZINC000844291822 630716170 /nfs/dbraw/zinc/71/61/70/630716170.db2.gz ZKGUVMCZDTYRGQ-INIZCTEOSA-N 0 0 304.434 3.123 20 10 DGCDRN COc1ccc(N(C)CC(=O)N[C@@H](c2ccccc2)C2CC2)cc1 ZINC000844353574 630720717 /nfs/dbraw/zinc/72/07/17/630720717.db2.gz ZCMDFRSIGGQVFA-FQEVSTJZSA-N 0 0 324.424 3.399 20 10 DGCDRN COc1ccc(N(C)CC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000844353129 630720725 /nfs/dbraw/zinc/72/07/25/630720725.db2.gz HQRXSCLAVIEVDS-ZDUSSCGKSA-N 0 0 316.376 3.148 20 10 DGCDRN COc1ccc(N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)cc1 ZINC000844353135 630720730 /nfs/dbraw/zinc/72/07/30/630720730.db2.gz HXHQVMVKMLSPOA-HNNXBMFYSA-N 0 0 312.413 3.351 20 10 DGCDRN COc1ccc(N(C)CC(=O)Nc2cc(C)ccc2OC)cc1 ZINC000844353297 630720791 /nfs/dbraw/zinc/72/07/91/630720791.db2.gz LQCYVQBURQOTLV-UHFFFAOYSA-N 0 0 314.385 3.087 20 10 DGCDRN CCCc1cc(NC(=O)NCc2cc(Cl)ccc2O)n(C)n1 ZINC000844604212 630742537 /nfs/dbraw/zinc/74/25/37/630742537.db2.gz PNTJPVUVDOBXTC-UHFFFAOYSA-N 0 0 322.796 3.053 20 10 DGCDRN CC[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)[C@H](C)CO1 ZINC000844734870 630819853 /nfs/dbraw/zinc/81/98/53/630819853.db2.gz ZYWGZEJXQRMJJA-IUODEOHRSA-N 0 0 307.434 3.395 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCC3(CC3(F)F)CC2)cc1 ZINC000844775249 630854078 /nfs/dbraw/zinc/85/40/78/630854078.db2.gz ITFKQOACYHNREJ-UHFFFAOYSA-N 0 0 323.387 3.083 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N3CCCC(F)(F)C3)ccc21 ZINC000844934063 630991010 /nfs/dbraw/zinc/99/10/10/630991010.db2.gz LPULANDIEUSMPT-UHFFFAOYSA-N 0 0 323.387 3.010 20 10 DGCDRN CCSCC[C@@H](C)NC(=O)NCc1cc(Cl)ccc1O ZINC000845019056 631038954 /nfs/dbraw/zinc/03/89/54/631038954.db2.gz HYNKLHZBRUDMIP-SNVBAGLBSA-N 0 0 316.854 3.377 20 10 DGCDRN C[C@@H](NC(=O)NC1CC2(CCC2)C1)c1ccc(N(C)C)cc1 ZINC000845125916 631086920 /nfs/dbraw/zinc/08/69/20/631086920.db2.gz REVACXGAQHXZJW-CYBMUJFWSA-N 0 0 301.434 3.446 20 10 DGCDRN C[C@H](COCC(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000845792441 631196666 /nfs/dbraw/zinc/19/66/66/631196666.db2.gz WCHKIHQCMKRJTO-OAHLLOKOSA-N 0 0 313.397 3.171 20 10 DGCDRN C[C@@H](COCC(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000845792440 631196676 /nfs/dbraw/zinc/19/66/76/631196676.db2.gz WCHKIHQCMKRJTO-HNNXBMFYSA-N 0 0 313.397 3.171 20 10 DGCDRN C[C@H](O)[C@H]([NH2+]Cc1cccc(Cl)c1[O-])c1ccccc1F ZINC000846017763 631206404 /nfs/dbraw/zinc/20/64/04/631206404.db2.gz PVDXCXIJOOMNQU-BONVTDFDSA-N 0 0 309.768 3.396 20 10 DGCDRN Cc1c(Cl)c(CNCc2cc(Cl)ccc2O)nn1C ZINC000846054394 631208314 /nfs/dbraw/zinc/20/83/14/631208314.db2.gz AMMDEQDKALYEAR-UHFFFAOYSA-N 0 0 300.189 3.031 20 10 DGCDRN CO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000846058024 631208617 /nfs/dbraw/zinc/20/86/17/631208617.db2.gz ZZSQBESJAQEFDN-DGCLKSJQSA-N 0 0 314.769 3.001 20 10 DGCDRN CCOc1cccc(CN(C)[C@H](CC)C(=O)OC(C)(C)C)c1O ZINC000846118864 631210724 /nfs/dbraw/zinc/21/07/24/631210724.db2.gz SJIMMAALKDZJBG-CQSZACIVSA-N 0 0 323.433 3.343 20 10 DGCDRN Cc1cc(Br)c(O)c(CN2CCC[C@@H](F)C2)c1 ZINC000846121331 631211076 /nfs/dbraw/zinc/21/10/76/631211076.db2.gz YJOJTEDGKYYICS-LLVKDONJSA-N 0 0 302.187 3.397 20 10 DGCDRN COc1cccc([C@H](C)Nc2cccc(C(=O)N(C)C)c2)c1O ZINC000846160430 631212816 /nfs/dbraw/zinc/21/28/16/631212816.db2.gz SYXZZANNPZUMED-LBPRGKRZSA-N 0 0 314.385 3.276 20 10 DGCDRN COc1cccc([C@H](C)Nc2cccc3c2CN(C)C3=O)c1O ZINC000846173053 631213443 /nfs/dbraw/zinc/21/34/43/631213443.db2.gz PSDVUEMCLMLYCQ-NSHDSACASA-N 0 0 312.369 3.160 20 10 DGCDRN COc1cccc([C@@H](C)Nc2cccc3c2CN(C)C3=O)c1O ZINC000846173049 631213528 /nfs/dbraw/zinc/21/35/28/631213528.db2.gz PSDVUEMCLMLYCQ-LLVKDONJSA-N 0 0 312.369 3.160 20 10 DGCDRN CC[C@H]([NH2+]CC[C@]1(O)CCCOC1)c1cccc(Cl)c1[O-] ZINC000846210742 631215111 /nfs/dbraw/zinc/21/51/11/631215111.db2.gz CWNBCNLBBPQUAF-GOEBONIOSA-N 0 0 313.825 3.018 20 10 DGCDRN CN(C)c1ccc(C[N@@H+]2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC000846289157 631222517 /nfs/dbraw/zinc/22/25/17/631222517.db2.gz MSGZQLNALBPZRJ-RTBURBONSA-N 0 0 324.424 3.053 20 10 DGCDRN Cc1ccc(C(=O)N2CC(C)(C)c3ccc(F)cc32)c(O)c1O ZINC000846406726 631240131 /nfs/dbraw/zinc/24/01/31/631240131.db2.gz QWLXHDMVHFINIC-UHFFFAOYSA-N 0 0 315.344 3.483 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)C12CC(C(F)(F)F)(C1)C2 ZINC000846473933 631249707 /nfs/dbraw/zinc/24/97/07/631249707.db2.gz OMEQZICRQBUBSP-UHFFFAOYSA-N 0 0 319.710 3.394 20 10 DGCDRN C[C@@H]1C(=O)CC[C@H](C(=O)NCc2cc(Cl)ccc2O)C1(C)C ZINC000846474168 631249924 /nfs/dbraw/zinc/24/99/24/631249924.db2.gz RREGISBYVHWQJY-ZWNOBZJWSA-N 0 0 323.820 3.303 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCCc2cccnc21 ZINC000846474695 631250426 /nfs/dbraw/zinc/25/04/26/631250426.db2.gz ZSIQJWWLCWFDOX-CQSZACIVSA-N 0 0 316.788 3.177 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCCCC1(F)F ZINC000846477989 631251503 /nfs/dbraw/zinc/25/15/03/631251503.db2.gz XAESWZPUGPDAJI-NSHDSACASA-N 0 0 303.736 3.487 20 10 DGCDRN C[C@@]1(c2cccc(F)c2)CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000846691185 631285847 /nfs/dbraw/zinc/28/58/47/631285847.db2.gz VDERVQSLOOLBPN-LJQANCHMSA-N 0 0 312.388 3.141 20 10 DGCDRN Cc1ccc2c(c1)N[C@H](c1ccc3c(c1)CCCN3C)NC2=O ZINC000846758317 631296681 /nfs/dbraw/zinc/29/66/81/631296681.db2.gz BDKJMNGSVGIQCQ-SFHVURJKSA-N 0 0 307.397 3.232 20 10 DGCDRN COCCN(Cc1ccc(C)nc1)c1ccc(OC)c(OC)c1 ZINC000846827122 631319067 /nfs/dbraw/zinc/31/90/67/631319067.db2.gz BCMBVEDMODVQAY-UHFFFAOYSA-N 0 0 316.401 3.060 20 10 DGCDRN C/C(=C\c1ccco1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000846842740 631324680 /nfs/dbraw/zinc/32/46/80/631324680.db2.gz JHRXWYZTZYEWII-SDNWHVSQSA-N 0 0 310.397 3.382 20 10 DGCDRN C/C(=C\c1cccnc1)C(=O)N(C[C@@H]1CCCO1)c1ccncc1 ZINC000846879773 631337548 /nfs/dbraw/zinc/33/75/48/631337548.db2.gz QELYTPNBRWMSQJ-XOVFHRFOSA-N 0 0 323.396 3.092 20 10 DGCDRN COc1ccc(CNC(=O)C2[C@H]3CCCCCC[C@H]23)c(O)c1 ZINC000846951538 631363741 /nfs/dbraw/zinc/36/37/41/631363741.db2.gz WRFQOFZLDZGCJE-GJZGRUSLSA-N 0 0 303.402 3.233 20 10 DGCDRN CN(CC[C@@H]1CCOC1=O)c1ccc(-c2nccs2)cc1 ZINC000846991559 631375088 /nfs/dbraw/zinc/37/50/88/631375088.db2.gz FTNQAUOTJHHHNZ-CYBMUJFWSA-N 0 0 302.399 3.200 20 10 DGCDRN CN(CC(=O)NC1CCCC1)c1ccc(-c2nccs2)cc1 ZINC000846991444 631375199 /nfs/dbraw/zinc/37/51/99/631375199.db2.gz KCYLTLDLFDRUBN-UHFFFAOYSA-N 0 0 315.442 3.305 20 10 DGCDRN CCN1C[C@@H](CN(C)c2ccc(-c3nccs3)cc2)OC1=O ZINC000846996397 631376858 /nfs/dbraw/zinc/37/68/58/631376858.db2.gz RLIYGQNTWHPONI-CQSZACIVSA-N 0 0 317.414 3.087 20 10 DGCDRN CN(CCC1OCCCO1)c1ccc(-c2nccs2)cc1 ZINC000846997650 631378025 /nfs/dbraw/zinc/37/80/25/631378025.db2.gz XIXHWEMEFSJGBP-UHFFFAOYSA-N 0 0 304.415 3.399 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN(C)[C@@H](C)c2nc(C)no2)c1O ZINC000847059933 631393940 /nfs/dbraw/zinc/39/39/40/631393940.db2.gz VRPPAHYDXNZGQB-QMMMGPOBSA-N 0 0 323.780 3.133 20 10 DGCDRN CC(C)(C)c1cccc(C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000847589698 631494006 /nfs/dbraw/zinc/49/40/06/631494006.db2.gz MRTMHHDHGQORDJ-UHFFFAOYSA-N 0 0 313.397 3.368 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(C2CC2)c1 ZINC000847696533 631516824 /nfs/dbraw/zinc/51/68/24/631516824.db2.gz RHULCUXSGMBMIX-LBPRGKRZSA-N 0 0 311.381 3.336 20 10 DGCDRN Cc1cc(C(=O)Nc2ccncc2C)c(C)n1-c1ccccn1 ZINC000107290576 631591817 /nfs/dbraw/zinc/59/18/17/631591817.db2.gz FFCGVPLEBBYPJQ-UHFFFAOYSA-N 0 0 306.369 3.445 20 10 DGCDRN Cc1noc(CN(C)Cc2cc(C)cc(C(C)(C)C)c2O)n1 ZINC000848503477 631670900 /nfs/dbraw/zinc/67/09/00/631670900.db2.gz GALSSIYROZWSKK-UHFFFAOYSA-N 0 0 303.406 3.322 20 10 DGCDRN C[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000848558894 631691691 /nfs/dbraw/zinc/69/16/91/631691691.db2.gz PMCIJMZQBHBMIT-MZPVMMEZSA-N 0 0 320.389 3.299 20 10 DGCDRN CCc1cccc(CN[C@H](C(=O)OC)c2ccccc2F)c1O ZINC000848904328 631780509 /nfs/dbraw/zinc/78/05/09/631780509.db2.gz QISTXNAKBNPLRU-INIZCTEOSA-N 0 0 317.360 3.098 20 10 DGCDRN C[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])C(=O)OC(C)(C)C ZINC000848925928 631790712 /nfs/dbraw/zinc/79/07/12/631790712.db2.gz IIASLYQWRLIISY-VIFPVBQESA-N 0 0 317.788 3.252 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000848927254 631790798 /nfs/dbraw/zinc/79/07/98/631790798.db2.gz DHYZRIGEKSNBJK-GJZGRUSLSA-N 0 0 312.816 3.291 20 10 DGCDRN COCc1csc(/C=C2/SC(=S)N(C3CC3)C2=O)c1 ZINC000849173032 631853575 /nfs/dbraw/zinc/85/35/75/631853575.db2.gz AWFSMMHGJFMZFL-VZUCSPMQSA-N 0 0 311.453 3.258 20 10 DGCDRN CCS(=O)(=O)CCCCCSc1ncc(Cl)s1 ZINC000850000567 632025533 /nfs/dbraw/zinc/02/55/33/632025533.db2.gz ZMDXKKXQCHNPCE-UHFFFAOYSA-N 0 0 313.897 3.494 20 10 DGCDRN CCOC(=O)c1cncnc1CSc1ncc(Cl)s1 ZINC000849999936 632025602 /nfs/dbraw/zinc/02/56/02/632025602.db2.gz DAFZQGWFPQVSNZ-UHFFFAOYSA-N 0 0 315.807 3.056 20 10 DGCDRN O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1Sc1ncc(Cl)s1 ZINC000850002131 632025825 /nfs/dbraw/zinc/02/58/25/632025825.db2.gz UIRLCKUTYRVUBP-IWSPIJDZSA-N 0 0 302.852 3.336 20 10 DGCDRN Cn1c(CSc2ncc(Cl)s2)nnc1C1CCC1 ZINC000850000411 632025880 /nfs/dbraw/zinc/02/58/80/632025880.db2.gz TZQPEYUSOUKUFM-UHFFFAOYSA-N 0 0 300.840 3.485 20 10 DGCDRN CCN(CC)c1ccc(CNCc2cc3n(n2)CCC3)cc1F ZINC000850128418 632062207 /nfs/dbraw/zinc/06/22/07/632062207.db2.gz BHGOGMPZYPCQQT-UHFFFAOYSA-N 0 0 316.424 3.104 20 10 DGCDRN Cc1c[nH]c(CNc2ccccc2OC[C@@H]2CCCCO2)n1 ZINC000850209117 632080608 /nfs/dbraw/zinc/08/06/08/632080608.db2.gz NOGGARRRZQREFI-AWEZNQCLSA-N 0 0 301.390 3.278 20 10 DGCDRN COC1CC(CC[NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000850341405 632117904 /nfs/dbraw/zinc/11/79/04/632117904.db2.gz JMJPBXFYKOVJIZ-UHFFFAOYSA-N 0 0 314.223 3.059 20 10 DGCDRN C[C@H]1CCCC[C@@H]1NC(=S)NCc1ccc(N(C)C)cc1 ZINC000007371687 632119037 /nfs/dbraw/zinc/11/90/37/632119037.db2.gz CRPPDGSYRFUSBI-BBRMVZONSA-N 0 0 305.491 3.295 20 10 DGCDRN CC[C@H]([NH2+]CCN(C)OC)c1ccc(Cl)c(Cl)c1[O-] ZINC000850479647 632165198 /nfs/dbraw/zinc/16/51/98/632165198.db2.gz YEBUCTCRUAOBFO-NSHDSACASA-N 0 0 307.221 3.233 20 10 DGCDRN CC[C@H]([NH2+]CC[C@@H](COC)OC)c1cccc(Cl)c1[O-] ZINC000850487254 632167482 /nfs/dbraw/zinc/16/74/82/632167482.db2.gz YNBNVKRTBHMLTJ-FZMZJTMJSA-N 0 0 301.814 3.138 20 10 DGCDRN CCn1cc(C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])nn1 ZINC000850522339 632178225 /nfs/dbraw/zinc/17/82/25/632178225.db2.gz OUOMQJSIRVXWDP-QMMMGPOBSA-N 0 0 315.204 3.161 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC[C@]2(C)CC2(F)F)c1 ZINC000850535769 632184749 /nfs/dbraw/zinc/18/47/49/632184749.db2.gz BEXUXLAUHMKTKM-ZUZCIYMTSA-N 0 0 313.344 3.265 20 10 DGCDRN COc1ccnc(CN[C@@H](C)c2cc(Cl)ccc2O)c1F ZINC000850536977 632186004 /nfs/dbraw/zinc/18/60/04/632186004.db2.gz LLHPGUNGOKSANB-VIFPVBQESA-N 0 0 310.756 3.439 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H]1CCC(=O)N1)c1cc(Cl)cc(Cl)c1[O-] ZINC000850548214 632189084 /nfs/dbraw/zinc/18/90/84/632189084.db2.gz ZBJUFJVEVNTHSE-CABZTGNLSA-N 0 0 317.216 3.018 20 10 DGCDRN CCSC1(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000850553000 632191266 /nfs/dbraw/zinc/19/12/66/632191266.db2.gz REKBYEQTJYGPPL-NSHDSACASA-N 0 0 309.431 3.115 20 10 DGCDRN C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000850573479 632198484 /nfs/dbraw/zinc/19/84/84/632198484.db2.gz MQUJONXAZGUTOW-FHSNZYRGSA-N 0 0 303.377 3.347 20 10 DGCDRN Cc1cc(Cl)ccc1NC(=O)CN(C)Cc1ccccc1O ZINC000109769960 632316464 /nfs/dbraw/zinc/31/64/64/632316464.db2.gz WTKPKTAAIDXUBJ-UHFFFAOYSA-N 0 0 318.804 3.425 20 10 DGCDRN CC1(C)C[C@@]1(C)NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000851648266 632466878 /nfs/dbraw/zinc/46/68/78/632466878.db2.gz ZIRSDHPFXFAKAV-QGZVFWFLSA-N 0 0 315.442 3.235 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CC[C@H](C3CCCCC3)C2)cc1 ZINC000851662216 632468034 /nfs/dbraw/zinc/46/80/34/632468034.db2.gz CNZWHXMENQYMJG-KRWDZBQOSA-N 0 0 315.461 3.423 20 10 DGCDRN Cc1cccc2c1CCC[C@@H]2NC(=O)NCCc1ccc(N)cc1 ZINC000851664671 632468089 /nfs/dbraw/zinc/46/80/89/632468089.db2.gz IJGYPEZHLOYBBU-IBGZPJMESA-N 0 0 323.440 3.497 20 10 DGCDRN COc1cc(N(C)CC=C(Cl)Cl)cc(OC)c1OC ZINC000851783686 632491455 /nfs/dbraw/zinc/49/14/55/632491455.db2.gz OFMMXGLFNKMYCE-UHFFFAOYSA-N 0 0 306.189 3.468 20 10 DGCDRN COc1ccc(N(C)Cc2onc(C)c2[N+](=O)[O-])cc1Cl ZINC000851808193 632499920 /nfs/dbraw/zinc/49/99/20/632499920.db2.gz MAKIVKNLQDWOHZ-UHFFFAOYSA-N 0 0 311.725 3.190 20 10 DGCDRN COCCN(CC=C(Cl)Cl)c1ccc(OC)c(OC)c1 ZINC000851846632 632507885 /nfs/dbraw/zinc/50/78/85/632507885.db2.gz DATFLNPGNRVUTK-UHFFFAOYSA-N 0 0 320.216 3.476 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1cnc2ccccc2n1 ZINC000851882529 632513902 /nfs/dbraw/zinc/51/39/02/632513902.db2.gz ZIIVFXTWHVJMMX-UHFFFAOYSA-N 0 0 320.396 3.095 20 10 DGCDRN C[C@@]1(CNC(=O)NCc2ccc(N3CCCC3)cc2)CC1(F)F ZINC000851986473 632534487 /nfs/dbraw/zinc/53/44/87/632534487.db2.gz AQWXYUHADHBYGT-INIZCTEOSA-N 0 0 323.387 3.131 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Cc2ccc3c(c2)CCC3)cc1 ZINC000008171862 632545482 /nfs/dbraw/zinc/54/54/82/632545482.db2.gz HOCTYDZMAHPFKT-UHFFFAOYSA-N 0 0 308.425 3.100 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2C=CCC2)cc1F ZINC000852083453 632550623 /nfs/dbraw/zinc/55/06/23/632550623.db2.gz FUGJAJMAJVPANF-AWEZNQCLSA-N 0 0 305.397 3.190 20 10 DGCDRN COc1cc2c(c(OC)c1)N(Cc1nc(C)oc1C)CCC2 ZINC000852172634 632566616 /nfs/dbraw/zinc/56/66/16/632566616.db2.gz LNFSZNSULZIXDX-UHFFFAOYSA-N 0 0 302.374 3.261 20 10 DGCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@H]1CCC(=O)O1 ZINC000852187272 632568542 /nfs/dbraw/zinc/56/85/42/632568542.db2.gz NGCLYEWEEUAFAV-GOEBONIOSA-N 0 0 303.402 3.036 20 10 DGCDRN C[C@H](NC(=O)NC[C@H]1CCC[C@@H](C)O1)c1ccc(N(C)C)cc1 ZINC000852261108 632578136 /nfs/dbraw/zinc/57/81/36/632578136.db2.gz KSCDXGWCKJMRAW-JKIFEVAISA-N 0 0 319.449 3.070 20 10 DGCDRN C[C@H](NC(=O)NC[C@@]1(C)CC1(F)F)c1ccc(N(C)C)cc1 ZINC000852261267 632578435 /nfs/dbraw/zinc/57/84/35/632578435.db2.gz OMWUCOZJVZUHJI-XHDPSFHLSA-N 0 0 311.376 3.158 20 10 DGCDRN CCC(C)(C)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852280965 632580550 /nfs/dbraw/zinc/58/05/50/632580550.db2.gz ZYSXZGYQTBXKNB-AWEZNQCLSA-N 0 0 319.449 3.009 20 10 DGCDRN Cc1cc(C(=O)CN(C)Cc2c[nH]cn2)c(C)n1-c1ccccc1 ZINC000852284727 632580611 /nfs/dbraw/zinc/58/06/11/632580611.db2.gz RRJWQIPVMZGJKF-UHFFFAOYSA-N 0 0 322.412 3.132 20 10 DGCDRN C[C@@H]1CCN(C(=O)/C=C/c2cncc(O)c2)c2c(O)cccc21 ZINC000186322217 660368764 /nfs/dbraw/zinc/36/87/64/660368764.db2.gz XFACJFDZJRHANN-BTDICHCPSA-N 0 0 310.353 3.046 20 10 DGCDRN O=S(=O)(Nc1ccc(O)c(Cl)c1)c1cccc(Cl)c1 ZINC000085204587 660381309 /nfs/dbraw/zinc/38/13/09/660381309.db2.gz OCKHJHQVXBQBER-UHFFFAOYSA-N 0 0 318.181 3.500 20 10 DGCDRN CCc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)s1 ZINC000186419285 660397853 /nfs/dbraw/zinc/39/78/53/660397853.db2.gz ZWBOOTJFQFJZCO-SNVBAGLBSA-N 0 0 305.399 3.083 20 10 DGCDRN Cc1cccc(CCC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000186427234 660415280 /nfs/dbraw/zinc/41/52/80/660415280.db2.gz NGJWLIJFPDKZCS-CQSZACIVSA-N 0 0 313.397 3.086 20 10 DGCDRN Cc1ccc(F)cc1C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000131801172 660466993 /nfs/dbraw/zinc/46/69/93/660466993.db2.gz OEDUMZJUHWIMOA-UHFFFAOYSA-N 0 0 314.360 3.223 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)CCc1ncc(C(C)(C)C)o1 ZINC000186961555 660600904 /nfs/dbraw/zinc/60/09/04/660600904.db2.gz ZTGCORCMGWNIHC-UHFFFAOYSA-N 0 0 316.401 3.269 20 10 DGCDRN C[C@H]1N(Cc2c(O)cccc2Br)CCOC1(C)C ZINC000707128016 660889663 /nfs/dbraw/zinc/88/96/63/660889663.db2.gz QQYYJFAOWKWJAM-SNVBAGLBSA-N 0 0 314.223 3.154 20 10 DGCDRN C[C@H]1CN(Cc2c(O)cccc2Br)CC(C)(C)O1 ZINC000707150895 660893989 /nfs/dbraw/zinc/89/39/89/660893989.db2.gz VVRJRHCEIVMCBQ-JTQLQIEISA-N 0 0 314.223 3.154 20 10 DGCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+][C@@H]1CCSC1 ZINC000708190701 660918791 /nfs/dbraw/zinc/91/87/91/660918791.db2.gz MZCWIDLJYHOXCY-SECBINFHSA-N 0 0 322.655 3.403 20 10 DGCDRN C[C@@H]1N(Cc2cc(Br)ccc2O)CCOC1(C)C ZINC000708259240 660919458 /nfs/dbraw/zinc/91/94/58/660919458.db2.gz WVXVAYQNTBEKCC-JTQLQIEISA-N 0 0 314.223 3.154 20 10 DGCDRN O=C(NCCCSc1nccs1)c1ccc(F)c(F)c1 ZINC000074135907 660946486 /nfs/dbraw/zinc/94/64/86/660946486.db2.gz ZNILEDDYWXGCMC-UHFFFAOYSA-N 0 0 314.382 3.334 20 10 DGCDRN CSc1cc(O)ccc1NS(=O)(=O)c1ccccc1C ZINC000792702950 660980482 /nfs/dbraw/zinc/98/04/82/660980482.db2.gz KLCZXQXLOOXWCA-UHFFFAOYSA-N 0 0 309.412 3.223 20 10 DGCDRN CCCC[C@H](CC)CNC(=O)NCc1ccc(OC)cc1O ZINC000792761865 660983136 /nfs/dbraw/zinc/98/31/36/660983136.db2.gz IPYAIYVZSJIXCH-ZDUSSCGKSA-N 0 0 308.422 3.416 20 10 DGCDRN CN(C)c1ccc(CN2CCOC(C)(C)C2)c(C(F)(F)F)c1 ZINC000792789306 660984728 /nfs/dbraw/zinc/98/47/28/660984728.db2.gz XSPNVKJEONTYIH-UHFFFAOYSA-N 0 0 316.367 3.382 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccnn2[C@@H](C)CC(C)C)c(O)c1O ZINC000792803936 660985560 /nfs/dbraw/zinc/98/55/60/660985560.db2.gz XIBCWCTVQIZRGM-LBPRGKRZSA-N 0 0 317.389 3.462 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)C[C@@H]2CCCOC2)cc1 ZINC000792880679 660990845 /nfs/dbraw/zinc/99/08/45/660990845.db2.gz AWYIFOIFEWPTDY-KRWDZBQOSA-N 0 0 318.461 3.308 20 10 DGCDRN COc1ccc(N(C)CCCc2ccc(C)nc2)cc1OC ZINC000793074718 661003770 /nfs/dbraw/zinc/00/37/70/661003770.db2.gz KPVQQHPMJMYQDN-UHFFFAOYSA-N 0 0 300.402 3.476 20 10 DGCDRN CCN(CC1CCC1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000792951073 660996601 /nfs/dbraw/zinc/99/66/01/660996601.db2.gz BZCKUHIHEPCVLM-UHFFFAOYSA-N 0 0 307.413 3.223 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c(O)c1 ZINC000792962088 660997104 /nfs/dbraw/zinc/99/71/04/660997104.db2.gz XEHJRXSFZAEIQM-HZPDHXFCSA-N 0 0 318.417 3.169 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)C[C@@H]2CCCOC2)C2CC2)cc1 ZINC000792985987 660998752 /nfs/dbraw/zinc/99/87/52/660998752.db2.gz OJCCXJOYGRAUIF-INIZCTEOSA-N 0 0 316.445 3.060 20 10 DGCDRN CC[C@@H](C)[C@H](OC)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000792989106 660998834 /nfs/dbraw/zinc/99/88/34/660998834.db2.gz YYZCTWVMNYGRAF-KDOFPFPSSA-N 0 0 318.461 3.305 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1Cc2ccc(F)cc21 ZINC000793043892 661001920 /nfs/dbraw/zinc/00/19/20/661001920.db2.gz VNZQAHYXCQPYIM-LJQANCHMSA-N 0 0 324.399 3.382 20 10 DGCDRN CC[C@@H](C)[C@@H](OC)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000793245224 661017344 /nfs/dbraw/zinc/01/73/44/661017344.db2.gz KFPNELJLELJIHU-RHSMWYFYSA-N 0 0 306.450 3.162 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N[C@H]3CCC3(C)C)ccc21 ZINC000806021091 661045531 /nfs/dbraw/zinc/04/55/31/661045531.db2.gz CUJHXMLYDMRLMX-INIZCTEOSA-N 0 0 301.434 3.057 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@H]2CCC[C@@H](OC)C2)c1 ZINC000793688681 661053409 /nfs/dbraw/zinc/05/34/09/661053409.db2.gz GUFLEXBLPRYZKO-MELADBBJSA-N 0 0 321.417 3.173 20 10 DGCDRN COc1ccc(CNC(=O)C2(c3cccc(C)c3)CC2)c(O)c1 ZINC000794370970 661081373 /nfs/dbraw/zinc/08/13/73/661081373.db2.gz TWVRAYIDRHTMPX-UHFFFAOYSA-N 0 0 311.381 3.057 20 10 DGCDRN COc1ccc(CNC(=O)CCc2cccc(Cl)c2)c(O)c1 ZINC000794370926 661081534 /nfs/dbraw/zinc/08/15/34/661081534.db2.gz SMYPHHPAVGXEOV-UHFFFAOYSA-N 0 0 319.788 3.303 20 10 DGCDRN COc1ccc(CNC(=O)c2cccc(C)c2Cl)c(O)c1 ZINC000794379924 661081801 /nfs/dbraw/zinc/08/18/01/661081801.db2.gz URUWLNMPIROFID-UHFFFAOYSA-N 0 0 305.761 3.293 20 10 DGCDRN COc1ccc(CNC(=O)[C@H](C)Cc2ccc(C)cc2)c(O)c1 ZINC000794387426 661082326 /nfs/dbraw/zinc/08/23/26/661082326.db2.gz HUBLXQVUAFEFFZ-CQSZACIVSA-N 0 0 313.397 3.204 20 10 DGCDRN COc1ccc(CNC(=O)[C@@H](C)Cc2ccc(C)cc2)c(O)c1 ZINC000794387424 661082346 /nfs/dbraw/zinc/08/23/46/661082346.db2.gz HUBLXQVUAFEFFZ-AWEZNQCLSA-N 0 0 313.397 3.204 20 10 DGCDRN COc1ccc(CNC(=O)c2cc3c(s2)CCCC3)c(O)c1 ZINC000794389517 661082698 /nfs/dbraw/zinc/08/26/98/661082698.db2.gz PEECOOLEFPSORC-UHFFFAOYSA-N 0 0 317.410 3.271 20 10 DGCDRN CCN(CC)c1ccc(CN(C)Cc2nnc(C(C)C)[nH]2)cc1 ZINC000794257187 661074975 /nfs/dbraw/zinc/07/49/75/661074975.db2.gz KXKOCEIWIHOSCG-UHFFFAOYSA-N 0 0 315.465 3.406 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2cccc3c2CCO3)cc1 ZINC000794759366 661104292 /nfs/dbraw/zinc/10/42/92/661104292.db2.gz SVZPAWITYYTIGT-UHFFFAOYSA-N 0 0 311.385 3.009 20 10 DGCDRN CC[C@H](Nc1ccc(OCC(N)=O)cc1)c1ccc(C)cc1O ZINC000794819525 661106954 /nfs/dbraw/zinc/10/69/54/661106954.db2.gz ZMYBCMAPPPXGAS-INIZCTEOSA-N 0 0 314.385 3.128 20 10 DGCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2cccc3c2CCO3)c1 ZINC000794832554 661108138 /nfs/dbraw/zinc/10/81/38/661108138.db2.gz ACUXMTSXTUYGOD-LLVKDONJSA-N 0 0 313.353 3.287 20 10 DGCDRN CN(C)c1ccc(C=Cc2nccc(=O)[nH]2)c(C(F)(F)F)c1 ZINC000794942476 661115540 /nfs/dbraw/zinc/11/55/40/661115540.db2.gz NJHDSEPHCGTBLM-XQRVVYSFSA-N 0 0 309.291 3.437 20 10 DGCDRN CN(C)c1ccc(CNc2nnc(Cc3ccccc3)o2)cc1 ZINC000794960458 661116946 /nfs/dbraw/zinc/11/69/46/661116946.db2.gz SDNRYAJLZCKXDT-UHFFFAOYSA-N 0 0 308.385 3.339 20 10 DGCDRN CC[C@](C)(OC)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000795053909 661124348 /nfs/dbraw/zinc/12/43/48/661124348.db2.gz YPKGYRYSAHWNBC-SFHVURJKSA-N 0 0 304.434 3.108 20 10 DGCDRN COc1ccc(CNc2c(F)cc([N+](=O)[O-])cc2F)c(O)c1 ZINC000795283655 661138205 /nfs/dbraw/zinc/13/82/05/661138205.db2.gz FTIOZYKLVPAGAH-UHFFFAOYSA-N 0 0 310.256 3.199 20 10 DGCDRN COc1ccc(CNc2ncncc2-c2ccccc2)c(O)c1 ZINC000795284913 661138249 /nfs/dbraw/zinc/13/82/49/661138249.db2.gz MONYJTCZKFVUQU-UHFFFAOYSA-N 0 0 307.353 3.470 20 10 DGCDRN O=C(/C=C\c1cncc(F)c1)N1CCOc2c(Cl)cccc21 ZINC000255011685 655560730 /nfs/dbraw/zinc/56/07/30/655560730.db2.gz QCBVLIBZDSOJHS-PLNGDYQASA-N 0 0 318.735 3.313 20 10 DGCDRN C[C@H](NC(=O)C1CC(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000795592467 661162465 /nfs/dbraw/zinc/16/24/65/661162465.db2.gz LCCUAOIMJUDLBY-AWEZNQCLSA-N 0 0 316.445 3.137 20 10 DGCDRN Cc1cncc(/C=C\C(=O)N2C[C@@H](C)Oc3cc(F)ccc32)c1 ZINC000255073060 655591805 /nfs/dbraw/zinc/59/18/05/655591805.db2.gz NKQIQHSHUUVRQS-ACVFHECNSA-N 0 0 312.344 3.356 20 10 DGCDRN C[C@H]([NH3+])[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000070171693 655604367 /nfs/dbraw/zinc/60/43/67/655604367.db2.gz GFXMCEMVCDTXPZ-UWVGGRQHSA-N 0 0 303.233 3.258 20 10 DGCDRN COc1cccc(CNC(=O)N[C@H]2CCC(C)(C)C[C@@H]2C)c1O ZINC000175847732 655611841 /nfs/dbraw/zinc/61/18/41/655611841.db2.gz LWBMTVWFUMPVIM-JSGCOSHPSA-N 0 0 320.433 3.415 20 10 DGCDRN Cc1ccc(C(=O)N(C)Cc2ccccc2Cl)c(O)c1O ZINC000177659071 655611903 /nfs/dbraw/zinc/61/19/03/655611903.db2.gz CYOLYHLRSBNCOT-UHFFFAOYSA-N 0 0 305.761 3.332 20 10 DGCDRN O=C(CSc1nccs1)NCC1(c2ccccc2)CC1 ZINC000047297207 655632005 /nfs/dbraw/zinc/63/20/05/655632005.db2.gz BJIYEWLFVLAFMX-UHFFFAOYSA-N 0 0 304.440 3.083 20 10 DGCDRN CCc1nc(C)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000050554893 655668056 /nfs/dbraw/zinc/66/80/56/655668056.db2.gz MKKGQHZDBVSJDC-UHFFFAOYSA-N 0 0 317.458 3.352 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C=C\c1cncc(C)c1)C[C@H](C)O2 ZINC000255233477 655668063 /nfs/dbraw/zinc/66/80/63/655668063.db2.gz LWZDJAGUYKLCML-ZBKLQPJUSA-N 0 0 324.380 3.226 20 10 DGCDRN COc1ccc(CN[C@@H]([C@H]2CCOC2)C(F)(F)F)cc1C ZINC000933004324 655670003 /nfs/dbraw/zinc/67/00/03/655670003.db2.gz UKADAVBMXKYADI-JSGCOSHPSA-N 0 0 303.324 3.061 20 10 DGCDRN Cc1cc(CN[C@@H]([C@@H]2CCOC2)C(F)(F)F)ccc1N(C)C ZINC000933007275 655670295 /nfs/dbraw/zinc/67/02/95/655670295.db2.gz JHFDITVWYUQJAB-HIFRSBDPSA-N 0 0 316.367 3.118 20 10 DGCDRN C[C@H]([NH2+]Cc1cncn1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000289980715 655691301 /nfs/dbraw/zinc/69/13/01/655691301.db2.gz XXNBXMGVYWMXRQ-QMMMGPOBSA-N 0 0 300.189 3.283 20 10 DGCDRN COC(=O)c1ncc(NCc2ccc(N(C)C)cc2)cc1Cl ZINC000795807607 661173829 /nfs/dbraw/zinc/17/38/29/661173829.db2.gz GFJHCAATPIZSAH-UHFFFAOYSA-N 0 0 319.792 3.200 20 10 DGCDRN CN1CCN(C(=O)/C=C\c2ccc(Cl)nc2)c2ccccc21 ZINC000255336455 655702468 /nfs/dbraw/zinc/70/24/68/655702468.db2.gz FQUXGLAEGVJGGP-CLFYSBASSA-N 0 0 313.788 3.231 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C=C\c2cccs2)c1 ZINC000255364005 655708940 /nfs/dbraw/zinc/70/89/40/655708940.db2.gz NDLFVEXVCGNJMH-BPOWMSRESA-N 0 0 303.383 3.353 20 10 DGCDRN CNC(=O)C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccccc1 ZINC000795848852 661175957 /nfs/dbraw/zinc/17/59/57/661175957.db2.gz AQFXRANGZNOEEZ-LRDDRELGSA-N 0 0 316.376 3.059 20 10 DGCDRN CC[C@@](C)(NC(=O)N1Cc2cccc(O)c2C1)C(F)(F)F ZINC000933499697 655716531 /nfs/dbraw/zinc/71/65/31/655716531.db2.gz KXMCAQNRYUHUSA-CYBMUJFWSA-N 0 0 302.296 3.148 20 10 DGCDRN C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@H]1C ZINC000161298710 655780551 /nfs/dbraw/zinc/78/05/51/655780551.db2.gz NBBRNMJAPKMYDA-QWHCGFSZSA-N 0 0 307.413 3.079 20 10 DGCDRN COc1csc(C(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000176684078 655784341 /nfs/dbraw/zinc/78/43/41/655784341.db2.gz MVDLMQKZQXUVQV-UHFFFAOYSA-N 0 0 316.426 3.069 20 10 DGCDRN Cc1ccc(NC(=O)NCc2ccc3c(c2)CCCN3C)c(C)n1 ZINC000176742179 655792924 /nfs/dbraw/zinc/79/29/24/655792924.db2.gz CLBUMKJRPNKXDH-UHFFFAOYSA-N 0 0 324.428 3.403 20 10 DGCDRN Cc1ccc(OC(F)F)c(C=C2SC(=S)NC2=O)c1 ZINC000255546888 655793503 /nfs/dbraw/zinc/79/35/03/655793503.db2.gz RRXFEGMOYAYELL-UITAMQMPSA-N 0 0 301.339 3.085 20 10 DGCDRN CN(Cc1nnc(-c2ccccc2)o1)c1ccc2c(c1)OCO2 ZINC000178879308 655812786 /nfs/dbraw/zinc/81/27/86/655812786.db2.gz AOBAGZRRHMNTKM-UHFFFAOYSA-N 0 0 309.325 3.102 20 10 DGCDRN Cc1nn(C)cc1C=C1SC(Nc2ccccc2C)=NC1=O ZINC000255584390 655840396 /nfs/dbraw/zinc/84/03/96/655840396.db2.gz CXMJXTLNSAROEL-ZSOIEALJSA-N 0 0 312.398 3.119 20 10 DGCDRN C[C@@H](Sc1nccs1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000052914372 655846792 /nfs/dbraw/zinc/84/67/92/655846792.db2.gz PXWNBJAOZXASSZ-PWSUYJOCSA-N 0 0 320.439 3.264 20 10 DGCDRN Cc1ccc(-c2nc(C=C3SC(=S)NC3=O)co2)cc1 ZINC000176853190 655855828 /nfs/dbraw/zinc/85/58/28/655855828.db2.gz JMROUNREERKKMK-IZZDOVSWSA-N 0 0 302.380 3.139 20 10 DGCDRN COc1ccc(N2CCN(Cc3nc4ccccc4o3)CC2)cc1 ZINC000069579746 655859587 /nfs/dbraw/zinc/85/95/87/655859587.db2.gz OZAGBVMHNHCMFN-UHFFFAOYSA-N 0 0 323.396 3.159 20 10 DGCDRN Cc1ccc(OC(F)F)c(/C=C2/SC(=S)N(C)C2=O)c1 ZINC000176900076 655863042 /nfs/dbraw/zinc/86/30/42/655863042.db2.gz YRADFFYAQDXVSF-UXBLZVDNSA-N 0 0 315.366 3.427 20 10 DGCDRN C[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1cc(F)ccc1O ZINC000176980616 655885531 /nfs/dbraw/zinc/88/55/31/655885531.db2.gz XZXDLEGXZSFYGM-LBPRGKRZSA-N 0 0 317.360 3.196 20 10 DGCDRN C[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H]1C ZINC000179302958 655888223 /nfs/dbraw/zinc/88/82/23/655888223.db2.gz SNQQCLSPMVFODA-HZPDHXFCSA-N 0 0 315.461 3.474 20 10 DGCDRN CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(C)c(O)c2O)C1 ZINC000179526019 655908011 /nfs/dbraw/zinc/90/80/11/655908011.db2.gz XQVIIBDPAPVKJH-VXGBXAGGSA-N 0 0 309.431 3.152 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N(C)CC[C@H](C)O ZINC000177453000 655926974 /nfs/dbraw/zinc/92/69/74/655926974.db2.gz XBGZYEWUPULDCP-INIZCTEOSA-N 0 0 314.429 3.245 20 10 DGCDRN CCC(CC)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000177508643 655929157 /nfs/dbraw/zinc/92/91/57/655929157.db2.gz YKKUVGLPIPUROX-UHFFFAOYSA-N 0 0 304.434 3.170 20 10 DGCDRN C[C@H](NC(=O)NCCCSc1nccs1)c1ccccn1 ZINC000177724177 655943412 /nfs/dbraw/zinc/94/34/12/655943412.db2.gz WWGXKQQDDSXHDR-NSHDSACASA-N 0 0 322.459 3.081 20 10 DGCDRN O=C1/C(=C\c2ccccc2)SC(=S)N1Cc1ccon1 ZINC000178018014 655952532 /nfs/dbraw/zinc/95/25/32/655952532.db2.gz ZLTJIQMQZNTWIB-XYOKQWHBSA-N 0 0 302.380 3.076 20 10 DGCDRN Cc1c(C(=O)N(C)Cc2ccccc2O)cnn1CCC(C)C ZINC000162616933 655966768 /nfs/dbraw/zinc/96/67/68/655966768.db2.gz MDBLUQVEGWKKSE-UHFFFAOYSA-N 0 0 315.417 3.215 20 10 DGCDRN CN(C)c1ccc(OCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000169591948 656014774 /nfs/dbraw/zinc/01/47/74/656014774.db2.gz JYTZMFDAFJMYOX-UHFFFAOYSA-N 0 0 302.330 3.119 20 10 DGCDRN COc1ccc(O)c([C@H](C)NCc2nc(CCC(C)C)no2)c1 ZINC000182367785 656105356 /nfs/dbraw/zinc/10/53/56/656105356.db2.gz DOJDCKBTJNQAPI-LBPRGKRZSA-N 0 0 319.405 3.223 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1cncc(-c2ccccc2)c1 ZINC000182543858 656106483 /nfs/dbraw/zinc/10/64/83/656106483.db2.gz HYQRXASQNGNNBD-UHFFFAOYSA-N 0 0 320.348 3.090 20 10 DGCDRN COc1cccc(SCC(=O)N(C)c2ccc(N)cc2)c1 ZINC000037285591 661224636 /nfs/dbraw/zinc/22/46/36/661224636.db2.gz YGKDMZLNPTZIIZ-UHFFFAOYSA-N 0 0 302.399 3.033 20 10 DGCDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccoc1 ZINC000085709744 656115920 /nfs/dbraw/zinc/11/59/20/656115920.db2.gz KGPQGFROIWKZPZ-UHFFFAOYSA-N 0 0 317.300 3.307 20 10 DGCDRN C[C@H](NCC(F)(F)CO)c1ccc(N2CCCCCC2)cc1 ZINC000184708576 656120719 /nfs/dbraw/zinc/12/07/19/656120719.db2.gz LXBBUFQPMIXMBP-AWEZNQCLSA-N 0 0 312.404 3.345 20 10 DGCDRN C[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)c1ccc(F)cc1[O-] ZINC000185451910 656126409 /nfs/dbraw/zinc/12/64/09/656126409.db2.gz ZXUPLWJYGLRAIZ-GFCCVEGCSA-N 0 0 301.361 3.360 20 10 DGCDRN N#Cc1c(F)cccc1C(=O)NCCCSc1nccs1 ZINC000189479062 656155346 /nfs/dbraw/zinc/15/53/46/656155346.db2.gz PKBNQILLCPVPTE-UHFFFAOYSA-N 0 0 321.402 3.066 20 10 DGCDRN Cc1nc(CN2CCCc3cc(OC(F)(F)F)ccc32)no1 ZINC000123173303 656174110 /nfs/dbraw/zinc/17/41/10/656174110.db2.gz SRDKDVLYKVDXDV-UHFFFAOYSA-N 0 0 313.279 3.229 20 10 DGCDRN COc1ccc2ccccc2c1CNC(=O)c1cccc(O)c1O ZINC000192975261 656183742 /nfs/dbraw/zinc/18/37/42/656183742.db2.gz LNXFETJTUVZJCT-UHFFFAOYSA-N 0 0 323.348 3.190 20 10 DGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C1CCC1 ZINC000075416685 656197501 /nfs/dbraw/zinc/19/75/01/656197501.db2.gz QQKQWFKNJUPHAH-UHFFFAOYSA-N 0 0 312.207 3.303 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2coc(C3CCC3)n2)cc1 ZINC000195345999 656211834 /nfs/dbraw/zinc/21/18/34/656211834.db2.gz WMFGVHBMHQVAJV-UHFFFAOYSA-N 0 0 313.401 3.280 20 10 DGCDRN CSC[C@H]1CCC[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000093761227 656387366 /nfs/dbraw/zinc/38/73/66/656387366.db2.gz OEEMYTWNCAYDJD-LLVKDONJSA-N 0 0 316.264 3.482 20 10 DGCDRN C[C@@H]([NH2+]CCN(C)Cc1ccccc1)c1cc(F)ccc1O ZINC000185111607 656427297 /nfs/dbraw/zinc/42/72/97/656427297.db2.gz JFPWDJARXYHLCA-CQSZACIVSA-N 0 0 302.393 3.314 20 10 DGCDRN CCCOc1c(C=C2SC(=S)NC2=O)cccc1OCC ZINC000005128461 656502404 /nfs/dbraw/zinc/50/24/04/656502404.db2.gz YUYRKWPMSILWJK-XFXZXTDPSA-N 0 0 323.439 3.363 20 10 DGCDRN CN(C)c1ccc(CNc2ccc3c(c2)NC(=O)CS3)cc1 ZINC000122145208 656518394 /nfs/dbraw/zinc/51/83/94/656518394.db2.gz MYRJACTUZNZEAF-UHFFFAOYSA-N 0 0 313.426 3.409 20 10 DGCDRN COCC(=O)Nc1ccc(N[C@H](C)c2ccc(C)cc2O)cc1 ZINC000320053270 656836325 /nfs/dbraw/zinc/83/63/25/656836325.db2.gz LQORXSACXGSSKD-CYBMUJFWSA-N 0 0 314.385 3.459 20 10 DGCDRN CCO[C@H]1C[C@H](N(C)C(=O)Cc2ccc(N)cc2)C1(CC)CC ZINC000236979116 657030020 /nfs/dbraw/zinc/03/00/20/657030020.db2.gz NMHLFMAKSYVNIQ-IRXDYDNUSA-N 0 0 318.461 3.254 20 10 DGCDRN CN(Cc1ccc(OC(F)F)cc1)C(=O)Cc1ccc(N)cc1 ZINC000237104130 657093912 /nfs/dbraw/zinc/09/39/12/657093912.db2.gz GHUUAFNFDNPDBT-UHFFFAOYSA-N 0 0 320.339 3.071 20 10 DGCDRN CCOc1ccc(C(=O)N(C)c2ccc(N)cc2)cc1OCC ZINC000320076019 657378904 /nfs/dbraw/zinc/37/89/04/657378904.db2.gz WYBUYOGYACFXCN-UHFFFAOYSA-N 0 0 314.385 3.343 20 10 DGCDRN COc1ccc2oc(/C=C3\SC(=S)N(C)C3=O)cc2c1 ZINC000179142906 658333574 /nfs/dbraw/zinc/33/35/74/658333574.db2.gz LOINEYSXJFVBDH-GHXNOFRVSA-N 0 0 305.380 3.272 20 10 DGCDRN CC[C@@H]1CN(C(=O)c2sccc2-n2c(C)ccc2C)CCO1 ZINC000054572177 658666921 /nfs/dbraw/zinc/66/69/21/658666921.db2.gz UZOIDAPTHVMCKY-CQSZACIVSA-N 0 0 318.442 3.407 20 10 DGCDRN Cc1ccc(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)c(O)c1O ZINC000179400834 658778833 /nfs/dbraw/zinc/77/88/33/658778833.db2.gz KIHBPLBUAWJYRN-NSHDSACASA-N 0 0 303.333 3.379 20 10 DGCDRN CC(=O)c1cc(F)cc(C[N@H+]2CCCCC[C@H]2C[C@H](C)O)c1[O-] ZINC000323673760 658783840 /nfs/dbraw/zinc/78/38/40/658783840.db2.gz XHUVWLFQJKJCMI-LRDDRELGSA-N 0 0 323.408 3.249 20 10 DGCDRN C[C@@H]1CCC[C@H](N(C)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000031731401 658844592 /nfs/dbraw/zinc/84/45/92/658844592.db2.gz RRSKXKFLGWKHER-PBHICJAKSA-N 0 0 303.450 3.473 20 10 DGCDRN O=C1N=C(NC2CCCC2)SC1=Cc1ccc2c(c1)CCO2 ZINC000054802345 658896354 /nfs/dbraw/zinc/89/63/54/658896354.db2.gz FOXUKZZLTFCSID-GDNBJRDFSA-N 0 0 314.410 3.124 20 10 DGCDRN Cc1[nH]c2c(cccc2C(=O)NCCc2ccc(O)c(O)c2)c1C ZINC000156649856 658932347 /nfs/dbraw/zinc/93/23/47/658932347.db2.gz DOHLQPFMAAEEDJ-UHFFFAOYSA-N 0 0 324.380 3.168 20 10 DGCDRN CN(C)c1ccc(CN(C)Cc2csc([N+](=O)[O-])c2)cc1 ZINC000056492806 658971723 /nfs/dbraw/zinc/97/17/23/658971723.db2.gz XPLVNHOZDJBNAM-UHFFFAOYSA-N 0 0 305.403 3.354 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2cccc(F)c2F)cc1F ZINC000058647067 659098270 /nfs/dbraw/zinc/09/82/70/659098270.db2.gz WRHQLTGSDCIKAT-UHFFFAOYSA-N 0 0 323.318 3.492 20 10 DGCDRN CO[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2[O-])C1(C)C ZINC000227830052 659165537 /nfs/dbraw/zinc/16/55/37/659165537.db2.gz CDVGKJBIKDFXNC-RYUDHWBXSA-N 0 0 314.223 3.058 20 10 DGCDRN COc1ccc(N=C2NN=C(c3cccn3C)CS2)cc1F ZINC000171118975 659259986 /nfs/dbraw/zinc/25/99/86/659259986.db2.gz WRFOSLIEQDCYKO-UHFFFAOYSA-N 0 0 318.377 3.092 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)[C@@H](C)C(C)C)CC2)cc1 ZINC000171938440 659307231 /nfs/dbraw/zinc/30/72/31/659307231.db2.gz VLIZCZSAQIVAKD-AWEZNQCLSA-N 0 0 304.434 3.072 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2ccccc2SC)c1 ZINC000172042781 659311970 /nfs/dbraw/zinc/31/19/70/659311970.db2.gz MVLUJOAVVWDIEH-UHFFFAOYSA-N 0 0 303.383 3.053 20 10 DGCDRN Cc1cc(C(=O)NCc2c(C)noc2C)c(C)n1-c1ccccn1 ZINC000062520004 659331717 /nfs/dbraw/zinc/33/17/17/659331717.db2.gz GIRDDFCLVJYSFX-UHFFFAOYSA-N 0 0 324.384 3.024 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000230670681 659344522 /nfs/dbraw/zinc/34/45/22/659344522.db2.gz ZXSQYNSVLWIDLW-BXKDBHETSA-N 0 0 304.217 3.340 20 10 DGCDRN COc1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1 ZINC000172592279 659345081 /nfs/dbraw/zinc/34/50/81/659345081.db2.gz CYIBKHYFTOJOGA-UHFFFAOYSA-N 0 0 323.396 3.393 20 10 DGCDRN CCc1ccc(CC(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000173131002 659374706 /nfs/dbraw/zinc/37/47/06/659374706.db2.gz KDFSGWPJLUFYGL-ZDUSSCGKSA-N 0 0 313.397 3.383 20 10 DGCDRN COc1ccc(N(C)CCOc2cccc(F)c2)cc1OC ZINC000063617380 659400660 /nfs/dbraw/zinc/40/06/60/659400660.db2.gz QUFUCZNKXNKZJV-UHFFFAOYSA-N 0 0 305.349 3.358 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cccc2c[nH]nc21 ZINC000174514314 659437470 /nfs/dbraw/zinc/43/74/70/659437470.db2.gz XGKYRXIDAQKJLK-UHFFFAOYSA-N 0 0 321.380 3.077 20 10 DGCDRN Cc1ncc(/C=C/C(=O)N2CCN(C)c3ccc(F)cc32)s1 ZINC000174727413 659541696 /nfs/dbraw/zinc/54/16/96/659541696.db2.gz HAVAUWASSNMWGC-GQCTYLIASA-N 0 0 317.389 3.087 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C/c1cc(F)c([O-])c(F)c1 ZINC000175321379 659918920 /nfs/dbraw/zinc/91/89/20/659918920.db2.gz AXOAMGVUMPXUEP-XYOKQWHBSA-N 0 0 324.352 3.127 20 10 DGCDRN Cc1nc(C(C)(C)NC(=O)c2ccc(C)c(O)c2O)sc1C ZINC000179509165 659931352 /nfs/dbraw/zinc/93/13/52/659931352.db2.gz UJSIRPQSRMQVID-UHFFFAOYSA-N 0 0 320.414 3.145 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccc3nccn3c2)cc1 ZINC000170870421 659946251 /nfs/dbraw/zinc/94/62/51/659946251.db2.gz YBQBDUNAJQGSBO-UHFFFAOYSA-N 0 0 322.412 3.111 20 10 DGCDRN COc1cccc(CNC(=O)c2cc3ccc(C)cc3[nH]2)c1O ZINC000068489230 659954465 /nfs/dbraw/zinc/95/44/65/659954465.db2.gz BXTPUCFBCBTITI-UHFFFAOYSA-N 0 0 310.353 3.121 20 10 DGCDRN Cc1ccccc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000068512524 659955673 /nfs/dbraw/zinc/95/56/73/659955673.db2.gz IIMYUWQKYBVIKG-MRXNPFEDSA-N 0 0 324.424 3.323 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc2cccnc21 ZINC000180597880 659965965 /nfs/dbraw/zinc/96/59/65/659965965.db2.gz RIIKAQUKEGEFQK-VQHVLOKHSA-N 0 0 306.321 3.298 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCc2cc(F)ccc21 ZINC000180701163 659968286 /nfs/dbraw/zinc/96/82/86/659968286.db2.gz VLCVBQREUCCNPK-GBVWOXPPSA-N 0 0 313.328 3.054 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCc2cc(F)ccc21 ZINC000180701179 659968314 /nfs/dbraw/zinc/96/83/14/659968314.db2.gz VLCVBQREUCCNPK-FTPZRKARSA-N 0 0 313.328 3.054 20 10 DGCDRN Cc1ccc(-c2n[nH]cc2CN(C)c2ccc3c(c2)OCO3)o1 ZINC000180760823 659969737 /nfs/dbraw/zinc/96/97/37/659969737.db2.gz MWIBORYFOLGFLT-UHFFFAOYSA-N 0 0 311.341 3.343 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC1(c2ccccc2)CCC1 ZINC000180911442 659973613 /nfs/dbraw/zinc/97/36/13/659973613.db2.gz AVXXUBQXLZZSCF-CSKARUKUSA-N 0 0 309.365 3.307 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2csc(C3CC3)n2)c1 ZINC000170900543 659976185 /nfs/dbraw/zinc/97/61/85/659976185.db2.gz CQBYELLPIBEIQY-SECBINFHSA-N 0 0 318.398 3.226 20 10 DGCDRN CCC(=O)c1cccc(NC(=O)C=Cc2ccc(O)c(O)c2)c1 ZINC000181231800 659988086 /nfs/dbraw/zinc/98/80/86/659988086.db2.gz BMFQJTLSLAHLOV-VQHVLOKHSA-N 0 0 311.337 3.342 20 10 DGCDRN COc1cccc(CNC(=O)/C(C)=C/c2ccc(C)cc2)c1O ZINC000182507270 660058800 /nfs/dbraw/zinc/05/88/00/660058800.db2.gz USPAHFDSVJKDEE-SDNWHVSQSA-N 0 0 311.381 3.429 20 10 DGCDRN Cc1ccc(N[C@H](C)Cc2ccc(O)c(O)c2)c([N+](=O)[O-])c1 ZINC000184147154 660156922 /nfs/dbraw/zinc/15/69/22/660156922.db2.gz XMZLGFQCPDLVAJ-LLVKDONJSA-N 0 0 302.330 3.358 20 10 DGCDRN C[C@@H](NCC(F)(F)CO)c1ccc(N2CCCCC2)c(F)c1 ZINC000184689030 660180504 /nfs/dbraw/zinc/18/05/04/660180504.db2.gz WVKBQHUTELAKGB-GFCCVEGCSA-N 0 0 316.367 3.094 20 10 DGCDRN COc1ccc(N(C)CCSc2ccncc2)cc1OC ZINC000929346565 661299233 /nfs/dbraw/zinc/29/92/33/661299233.db2.gz BAFJEAXLVKQRSQ-UHFFFAOYSA-N 0 0 304.415 3.327 20 10 DGCDRN CCN1C(=O)/C(=C\c2ccc(C)c([N+](=O)[O-])c2)SC1=S ZINC000035352485 661340466 /nfs/dbraw/zinc/34/04/66/661340466.db2.gz NEMRAQFWEMNCDI-YRNVUSSQSA-N 0 0 308.384 3.124 20 10 DGCDRN CN(C[C@@H]1CCC2(COC2)O1)c1ccc(-c2nccs2)cc1 ZINC000930710915 661423321 /nfs/dbraw/zinc/42/33/21/661423321.db2.gz WFESEFQRSAUUSK-HNNXBMFYSA-N 0 0 316.426 3.194 20 10 DGCDRN CCc1ncc(CN2CCCc3cc(OC)cc(OC)c32)o1 ZINC000930722652 661424790 /nfs/dbraw/zinc/42/47/90/661424790.db2.gz RFUAGQGKCKLSPJ-UHFFFAOYSA-N 0 0 302.374 3.207 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C[C@H]2CCCC2(F)F)cc1F ZINC000931147401 661456412 /nfs/dbraw/zinc/45/64/12/661456412.db2.gz SSWDSYZIEILXFC-GFCCVEGCSA-N 0 0 314.351 3.333 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)N[C@@H](C1CC1)C(F)(F)F ZINC000931436657 661476070 /nfs/dbraw/zinc/47/60/70/661476070.db2.gz JWJZKLUIEINKFM-NSHDSACASA-N 0 0 322.714 3.186 20 10 DGCDRN O=C(NCc1c(O)cccc1F)Nc1cccc(C2CC2)n1 ZINC000931554905 661488356 /nfs/dbraw/zinc/48/83/56/661488356.db2.gz RFNFPGYNQNQVAE-UHFFFAOYSA-N 0 0 301.321 3.125 20 10 DGCDRN CC[C@](C)(NC(=O)N(C)Cc1ccccc1O)C(F)(F)F ZINC000933536972 661639804 /nfs/dbraw/zinc/63/98/04/661639804.db2.gz HPGIATBEWKIXCL-ZDUSSCGKSA-N 0 0 304.312 3.265 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)c1cccc(C)c1 ZINC000934706576 661728313 /nfs/dbraw/zinc/72/83/13/661728313.db2.gz NWCDSRRXRQWHMP-UHFFFAOYSA-N 0 0 311.381 3.322 20 10 DGCDRN CC1=C(C)C[C@@](C)(C(=O)NCCc2ccc(O)c(O)c2)CC1 ZINC000934939251 661750007 /nfs/dbraw/zinc/75/00/07/661750007.db2.gz QQIQKKJKHKTOHC-SFHVURJKSA-N 0 0 303.402 3.283 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(C)cc(Cl)n2)c1 ZINC000934940328 661750054 /nfs/dbraw/zinc/75/00/54/661750054.db2.gz LMXLKZARLBLIEP-JTQLQIEISA-N 0 0 320.776 3.249 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@H]2CCCC2(F)F)c1 ZINC000934940627 661750202 /nfs/dbraw/zinc/75/02/02/661750202.db2.gz SABSUWQVQWWKDC-GHMZBOCLSA-N 0 0 313.344 3.404 20 10 DGCDRN C[C@@H](NC(=O)c1cnn(C2CCC2)c1)c1ccc(N(C)C)cc1 ZINC000935464403 661787837 /nfs/dbraw/zinc/78/78/37/661787837.db2.gz LXFMOYNZAYXCMK-CYBMUJFWSA-N 0 0 312.417 3.165 20 10 DGCDRN Cc1cc(Cl)ccc1OCC(=O)N(C)Cc1ccccc1O ZINC000042117188 661838303 /nfs/dbraw/zinc/83/83/03/661838303.db2.gz ZGGFHSNJLHKVNE-UHFFFAOYSA-N 0 0 319.788 3.391 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)N(C)Cc2cccs2)cc1 ZINC000157310370 661867112 /nfs/dbraw/zinc/86/71/12/661867112.db2.gz QRXAHGDIQGRUTD-UHFFFAOYSA-N 0 0 318.442 3.242 20 10 DGCDRN CCCCN(C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000047036652 661871160 /nfs/dbraw/zinc/87/11/60/661871160.db2.gz QVVSACIOYXACAO-UHFFFAOYSA-N 0 0 321.490 3.181 20 10 DGCDRN Cc1nn(C)cc1/C=C1/SC(=S)N(c2ccccc2)C1=O ZINC000158732566 661877342 /nfs/dbraw/zinc/87/73/42/661877342.db2.gz MXNZNOZGTGQFND-MDWZMJQESA-N 0 0 315.423 3.134 20 10 DGCDRN COc1ccc(NC(=O)N(C)Cc2ccccc2O)cc1F ZINC000047549953 661878465 /nfs/dbraw/zinc/87/84/65/661878465.db2.gz SSSAUCORIDGGNY-UHFFFAOYSA-N 0 0 304.321 3.204 20 10 DGCDRN C[C@H]1CSc2ccccc2N(C(=O)/C=C/c2cnn(C)c2)C1 ZINC000159668507 661892903 /nfs/dbraw/zinc/89/29/03/661892903.db2.gz DGMXOTJMVMVHRO-SBDDDAINSA-N 0 0 313.426 3.208 20 10 DGCDRN Cc1cc(NC(=O)CSc2nccs2)n(C(C)(C)C)n1 ZINC000048876585 661896805 /nfs/dbraw/zinc/89/68/05/661896805.db2.gz VWTRQPZNTQOYRD-UHFFFAOYSA-N 0 0 310.448 3.134 20 10 DGCDRN CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nccs2)c1 ZINC000048875370 661897071 /nfs/dbraw/zinc/89/70/71/661897071.db2.gz UFCOSJXQPHIBDM-SNVBAGLBSA-N 0 0 306.412 3.465 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ncc(C)s1 ZINC000074758249 661903088 /nfs/dbraw/zinc/90/30/88/661903088.db2.gz NMVNWEFQYZYWGA-UHFFFAOYSA-N 0 0 319.430 3.279 20 10 DGCDRN COc1cccc(C(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000075159945 661917941 /nfs/dbraw/zinc/91/79/41/661917941.db2.gz QNVWMRXGJLUOPU-UHFFFAOYSA-N 0 0 311.381 3.210 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cccc(F)c1F ZINC000075159521 661918215 /nfs/dbraw/zinc/91/82/15/661918215.db2.gz MXDNGFWPDLYVHZ-UHFFFAOYSA-N 0 0 317.335 3.479 20 10 DGCDRN CC[C@@](C)(O)CNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000075225489 661921430 /nfs/dbraw/zinc/92/14/30/661921430.db2.gz UEMBUYZOXSEBQK-GOSISDBHSA-N 0 0 318.392 3.124 20 10 DGCDRN CSc1ccccc1S(=O)(=O)Nc1ccc(O)c(C)c1 ZINC000188480011 661932396 /nfs/dbraw/zinc/93/23/96/661932396.db2.gz LTNWVGOIKBEIPC-UHFFFAOYSA-N 0 0 309.412 3.223 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000075499354 661933367 /nfs/dbraw/zinc/93/33/67/661933367.db2.gz YQMLAWXGSZZGBB-RDJZCZTQSA-N 0 0 301.434 3.227 20 10 DGCDRN CC[C@H]1[C@H](C)CCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000188553738 661934586 /nfs/dbraw/zinc/93/45/86/661934586.db2.gz RITAOGBMYIREOS-DOMZBBRYSA-N 0 0 307.413 3.222 20 10 DGCDRN Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000191593619 662073410 /nfs/dbraw/zinc/07/34/10/662073410.db2.gz DRFZDYJUZUYPES-CZUORRHYSA-N 0 0 303.377 3.094 20 10 DGCDRN Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000191593604 662073591 /nfs/dbraw/zinc/07/35/91/662073591.db2.gz DRFZDYJUZUYPES-CJNGLKHVSA-N 0 0 303.377 3.094 20 10 DGCDRN Cc1nc(CC(C)C)c(NC(=O)c2cccc(O)c2O)s1 ZINC000193134147 662123513 /nfs/dbraw/zinc/12/35/13/662123513.db2.gz OCXUKXUAYWTYNX-UHFFFAOYSA-N 0 0 306.387 3.314 20 10 DGCDRN COc1csc(C(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000080099887 662130049 /nfs/dbraw/zinc/13/00/49/662130049.db2.gz WAAXXXKPCJUOPI-UHFFFAOYSA-N 0 0 317.410 3.271 20 10 DGCDRN Cc1cccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1F ZINC000194002038 662154332 /nfs/dbraw/zinc/15/43/32/662154332.db2.gz VGHPYRKZBBXZHJ-LLVKDONJSA-N 0 0 318.348 3.298 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CCc2ccccn2)cc1 ZINC000194434733 662165604 /nfs/dbraw/zinc/16/56/04/662165604.db2.gz KJYFMCCWSOPOMF-UHFFFAOYSA-N 0 0 311.429 3.177 20 10 DGCDRN Cc1cc(C(=O)NCc2cccc(O)c2)c(C)n1-c1ccccn1 ZINC000194476967 662166552 /nfs/dbraw/zinc/16/65/52/662166552.db2.gz SHYBBKNXJHLULG-UHFFFAOYSA-N 0 0 321.380 3.125 20 10 DGCDRN C=Cn1cc(C=C2SC(Nc3ccccc3C)=NC2=O)cn1 ZINC000194520130 662167827 /nfs/dbraw/zinc/16/78/27/662167827.db2.gz BPQQFUQRDZBXEH-RIYZIHGNSA-N 0 0 310.382 3.374 20 10 DGCDRN Cc1cccnc1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000194639540 662170391 /nfs/dbraw/zinc/17/03/91/662170391.db2.gz OEWKONRVWVJRPB-UHFFFAOYSA-N 0 0 310.401 3.094 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C[C@@H]2CCCCO2)cc1 ZINC000087140243 662223343 /nfs/dbraw/zinc/22/33/43/662223343.db2.gz YKFLOCHHMBXFDX-KRWDZBQOSA-N 0 0 304.434 3.108 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cn(C)nc1-c1ccccc1 ZINC000089321543 662242154 /nfs/dbraw/zinc/24/21/54/662242154.db2.gz DFKVMOYCLHZKBF-UHFFFAOYSA-N 0 0 321.380 3.065 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@H]2C2CC2)cc1 ZINC000089972508 662251357 /nfs/dbraw/zinc/25/13/57/662251357.db2.gz HTMCSQAUKHMIIX-IBGZPJMESA-N 0 0 324.424 3.345 20 10 DGCDRN CC(=O)c1cc(F)cc(CN(C)OCc2ccccc2)c1O ZINC000090582894 662267341 /nfs/dbraw/zinc/26/73/41/662267341.db2.gz CECACHQRDOXBMP-UHFFFAOYSA-N 0 0 303.333 3.298 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1nc(Cl)ccc1Cl ZINC000038000185 662269501 /nfs/dbraw/zinc/26/95/01/662269501.db2.gz BZEDTAHYZXDHFS-UHFFFAOYSA-N 0 0 311.168 3.366 20 10 DGCDRN C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCN1C ZINC000090721729 662273007 /nfs/dbraw/zinc/27/30/07/662273007.db2.gz XBZUWVIBGDOXFQ-JOYOIKCWSA-N 0 0 303.233 3.271 20 10 DGCDRN COC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000092643812 662333534 /nfs/dbraw/zinc/33/35/34/662333534.db2.gz GGAUTPSFKWCKEC-VIFPVBQESA-N 0 0 318.200 3.084 20 10 DGCDRN CCc1ccc([C@H]2COCCN2Cc2ccc(N(C)C)cc2)o1 ZINC000093459164 662355103 /nfs/dbraw/zinc/35/51/03/662355103.db2.gz PHQDCSAIWADCBU-GOSISDBHSA-N 0 0 314.429 3.482 20 10 DGCDRN CC[C@H]1C[N@H+](Cc2cccc(Br)c2[O-])CCS1 ZINC000093502252 662355900 /nfs/dbraw/zinc/35/59/00/662355900.db2.gz YRWPDMZLNQJYFD-NSHDSACASA-N 0 0 316.264 3.482 20 10 DGCDRN CC[N@H+](C)C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000093770355 662359834 /nfs/dbraw/zinc/35/98/34/662359834.db2.gz CBAQLFWXWCPESH-NSHDSACASA-N 0 0 317.260 3.473 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)CCCOCc1ccccc1 ZINC000065308962 685053735 /nfs/dbraw/zinc/05/37/35/685053735.db2.gz USWADEXSAZEQLY-UHFFFAOYSA-N 0 0 313.397 3.348 20 10 DGCDRN C[C@@H](NC(=O)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000145443837 685086136 /nfs/dbraw/zinc/08/61/36/685086136.db2.gz UXXYPEUYQWITKM-OAHLLOKOSA-N 0 0 310.397 3.014 20 10 DGCDRN C[C@H](Cc1cccc(F)c1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000147042266 685088894 /nfs/dbraw/zinc/08/88/94/685088894.db2.gz GNJAIQYLVUQYEH-CQSZACIVSA-N 0 0 314.404 3.387 20 10 DGCDRN O=C(/C=C\c1cccnc1)N1CCCc2cc(F)c(F)cc21 ZINC000255369689 685121399 /nfs/dbraw/zinc/12/13/99/685121399.db2.gz DUPLJSXWCNEBSB-WAYWQWQTSA-N 0 0 300.308 3.352 20 10 DGCDRN CCNC(=O)c1cccc(N[C@H](C)c2cc(F)ccc2O)c1 ZINC000388242267 685188192 /nfs/dbraw/zinc/18/81/92/685188192.db2.gz ZWOVJYXNVHLVFH-LLVKDONJSA-N 0 0 302.349 3.454 20 10 DGCDRN C[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2[O-])CS1 ZINC000397957509 685234447 /nfs/dbraw/zinc/23/44/47/685234447.db2.gz ZVAHSWBVYLVEAB-WPRPVWTQSA-N 0 0 302.237 3.138 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]Cc2cc(OC)ns2)cc1 ZINC000399227882 685240693 /nfs/dbraw/zinc/24/06/93/685240693.db2.gz YJACYYKTXSQIJG-UHFFFAOYSA-N 0 0 305.447 3.288 20 10 DGCDRN CN(C(=O)Cc1c[nH]c2nccc(Cl)c12)c1ccc(N)cc1 ZINC001578378185 1191940519 /nfs/dbraw/zinc/94/05/19/1191940519.db2.gz JWVPIMAIRQGLOR-UHFFFAOYSA-N 0 0 314.776 3.004 20 10 DGCDRN Cc1cc(C)cc(C[C@@H](C)NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001620500673 1191952498 /nfs/dbraw/zinc/95/24/98/1191952498.db2.gz MCWPOJVGTZWXSS-CQSZACIVSA-N 0 0 313.397 3.005 20 10 DGCDRN COC(=O)Nc1ccc(NC(=O)N(C)c2ccc(N)cc2)cc1 ZINC001578827781 1191958330 /nfs/dbraw/zinc/95/83/30/1191958330.db2.gz JZESSEGGYNHVBT-UHFFFAOYSA-N 0 0 314.345 3.115 20 10 DGCDRN Nc1ccc(Cc2nc(C(=O)Nc3ccsn3)cs2)cc1 ZINC001580446870 1192027383 /nfs/dbraw/zinc/02/73/83/1192027383.db2.gz JHHWHYYYHWLAFI-UHFFFAOYSA-N 0 0 316.411 3.025 20 10 DGCDRN CCc1ccc(N(CC2CC2)C(=O)/C=C\c2cn(C)cn2)cc1 ZINC001583189314 1192137582 /nfs/dbraw/zinc/13/75/82/1192137582.db2.gz WNVFQNSZYWQJKK-FLIBITNWSA-N 0 0 309.413 3.439 20 10 DGCDRN CCc1ccccc1OCC(=O)NCc1cc(Cl)ccc1O ZINC001583816878 1192161436 /nfs/dbraw/zinc/16/14/36/1192161436.db2.gz NFWDSVXCCVPDPK-UHFFFAOYSA-N 0 0 319.788 3.303 20 10 DGCDRN CCSc1cccnc1C(=O)NCc1cc(Cl)ccc1O ZINC001583820599 1192161814 /nfs/dbraw/zinc/16/18/14/1192161814.db2.gz IVOWWKKMNANYBI-UHFFFAOYSA-N 0 0 322.817 3.483 20 10 DGCDRN COc1cccc(SCC(=O)NCc2cc(C)ccc2O)c1 ZINC001584983639 1192234727 /nfs/dbraw/zinc/23/47/27/1192234727.db2.gz NYEIZHCUWMJQOK-UHFFFAOYSA-N 0 0 317.410 3.118 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)COC/C=C/c2ccccc2)c1 ZINC001584983856 1192234831 /nfs/dbraw/zinc/23/48/31/1192234831.db2.gz TWPIHMZKWIDREI-VMPITWQZSA-N 0 0 311.381 3.047 20 10 DGCDRN C[C@@H](NC(=O)CCOc1cccc(F)c1)c1ccccc1O ZINC001587445262 1192399723 /nfs/dbraw/zinc/39/97/23/1192399723.db2.gz YEFACODHNVZQHN-GFCCVEGCSA-N 0 0 303.333 3.178 20 10 DGCDRN C[C@@H](NC(=O)/C=C/c1ccc(Cl)nc1)c1ccccc1O ZINC001587447269 1192400667 /nfs/dbraw/zinc/40/06/67/1192400667.db2.gz NJOWNHLIRBBHSV-MXMFLMJRSA-N 0 0 302.761 3.331 20 10 DGCDRN Cc1ccn(-c2cccc(C(=O)N[C@@H](C)c3ccccc3O)c2)n1 ZINC001587451080 1192400816 /nfs/dbraw/zinc/40/08/16/1192400816.db2.gz HHYIXUZEAQFFAW-AWEZNQCLSA-N 0 0 321.380 3.377 20 10 DGCDRN C[C@H](NC(=O)COc1cccc(Cl)c1)c1ccccc1O ZINC001587447725 1192400912 /nfs/dbraw/zinc/40/09/12/1192400912.db2.gz ZOQNHABGRZESGS-NSHDSACASA-N 0 0 305.761 3.302 20 10 DGCDRN Cc1nc2ccc(O)cc2cc1C(=O)N1Cc2cccc(O)c2C1 ZINC001587928479 1192425709 /nfs/dbraw/zinc/42/57/09/1192425709.db2.gz ONQBUDGWSSGHAO-UHFFFAOYSA-N 0 0 320.348 3.110 20 10 DGCDRN C(=Cc1ccc(N2CCCC2)cc1)c1nc(-c2nn[nH]n2)cs1 ZINC001588381641 1192446332 /nfs/dbraw/zinc/44/63/32/1192446332.db2.gz MUWNMUFHDCDYSN-VMPITWQZSA-N 0 0 324.413 3.094 20 10 DGCDRN C[C@@H](Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(N(C)C)cc1 ZINC001589983309 1192480847 /nfs/dbraw/zinc/48/08/47/1192480847.db2.gz VWNBDVVZKFFEBH-GFCCVEGCSA-N 0 0 308.389 3.106 20 10 DGCDRN CC[C@H]([NH2+]Cc1cccc(C)c1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001590469691 1192512062 /nfs/dbraw/zinc/51/20/62/1192512062.db2.gz QXMXBTDYZSKLKY-INIZCTEOSA-N 0 0 323.400 3.122 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC001593872969 1192640836 /nfs/dbraw/zinc/64/08/36/1192640836.db2.gz IOSQOZICKDGRTF-UHOFOFEASA-N 0 0 303.402 3.321 20 10 DGCDRN O=C(NCc1c(O)cccc1O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001597568902 1192738063 /nfs/dbraw/zinc/73/80/63/1192738063.db2.gz KEGUFMOPBPINCA-ZJUUUORDSA-N 0 0 317.307 3.083 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1ccc(C(F)F)c(F)c1 ZINC001597580143 1192739074 /nfs/dbraw/zinc/73/90/74/1192739074.db2.gz XWCAPCNRHINHRT-UHFFFAOYSA-N 0 0 311.259 3.105 20 10 DGCDRN COCCC(C)(C)C(=O)NCc1c(O)ccc2ccccc21 ZINC001597742143 1192745120 /nfs/dbraw/zinc/74/51/20/1192745120.db2.gz GVNMOMXGZHITDY-UHFFFAOYSA-N 0 0 301.386 3.224 20 10 DGCDRN CC(C)C[C@@H]1C[C@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC001597848428 1192750944 /nfs/dbraw/zinc/75/09/44/1192750944.db2.gz JBFHLZXYQLHZLJ-IAGOWNOFSA-N 0 0 300.446 3.367 20 10 DGCDRN Cc1cc(C[NH2+]Cc2cc(Cl)cc(C)c2O)oc1C(=O)[O-] ZINC001600209559 1192809338 /nfs/dbraw/zinc/80/93/38/1192809338.db2.gz ONFXLHLUXXLHMF-UHFFFAOYSA-N 0 0 309.749 3.243 20 10 DGCDRN CC1(NC(=O)Nc2c(-c3ccccn3)nc3ccccn32)CC1 ZINC001671075838 1177767220 /nfs/dbraw/zinc/76/72/20/1177767220.db2.gz DAFGHWQCCGXUNW-UHFFFAOYSA-N 0 0 307.357 3.070 20 10 DGCDRN Cc1cc(Cl)c(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1O ZINC001179687638 1177804536 /nfs/dbraw/zinc/80/45/36/1177804536.db2.gz QLSGOLMLUCIYBR-HWKANZROSA-N 0 0 319.744 3.417 20 10 DGCDRN Cc1ccnc(C)c1NC(=O)NCc1cccc(Cl)c1O ZINC001671123349 1178032595 /nfs/dbraw/zinc/03/25/95/1178032595.db2.gz ZOSXNBRXOJNJFO-UHFFFAOYSA-N 0 0 305.765 3.379 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N(C1CC1)[C@H]1CCc2ccccc21 ZINC001292190358 1178084020 /nfs/dbraw/zinc/08/40/20/1178084020.db2.gz VMUKKBQTYQYFPA-KRWDZBQOSA-N 0 0 323.392 3.319 20 10 DGCDRN Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(OCC(=O)[O-])c2)c1 ZINC001600464779 1192858388 /nfs/dbraw/zinc/85/83/88/1192858388.db2.gz KERCWVUZZAHDLD-ZDUSSCGKSA-N 0 0 315.369 3.015 20 10 DGCDRN Nc1ccc(CC(=O)N2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)cc1 ZINC001330994717 1178107741 /nfs/dbraw/zinc/10/77/41/1178107741.db2.gz WUAJANKCTVEZEV-WFASDCNBSA-N 0 0 312.335 3.002 20 10 DGCDRN CN(Cc1ccccc1O)c1cc(Cl)nc([C@@H]2CCCO2)n1 ZINC001331145069 1178143663 /nfs/dbraw/zinc/14/36/63/1178143663.db2.gz JKLAJICRSNYMBD-ZDUSSCGKSA-N 0 0 319.792 3.324 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331382680 1178200792 /nfs/dbraw/zinc/20/07/92/1178200792.db2.gz NSYSYDBMLOHFAU-UHFFFAOYSA-N 0 0 311.385 3.485 20 10 DGCDRN CC(C)([NH2+]Cc1cc(F)cc(F)c1[O-])C(=O)Nc1ccccc1 ZINC001621019723 1192864586 /nfs/dbraw/zinc/86/45/86/1192864586.db2.gz WTVBIDJHFQSXEW-UHFFFAOYSA-N 0 0 320.339 3.177 20 10 DGCDRN Cc1cc(C(=O)N2CC[C@@]23CCOC3)c(C)n1-c1ccccc1C ZINC001331572352 1178250152 /nfs/dbraw/zinc/25/01/52/1178250152.db2.gz ULNBPNPMEOMJBY-FQEVSTJZSA-N 0 0 324.424 3.408 20 10 DGCDRN Cc1cccc(C[N@@H+](Cc2ccccc2)C[C@@H](C)C(=O)[O-])c1O ZINC001600532566 1192869052 /nfs/dbraw/zinc/86/90/52/1192869052.db2.gz MLXNSRIHAXNZJO-OAHLLOKOSA-N 0 0 313.397 3.424 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)c1 ZINC001333507458 1178616263 /nfs/dbraw/zinc/61/62/63/1178616263.db2.gz MBSPFQXNDKCKAZ-LMRQPLJMSA-N 0 0 318.417 3.340 20 10 DGCDRN C[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CC[C@@H]1C ZINC001333749190 1178667090 /nfs/dbraw/zinc/66/70/90/1178667090.db2.gz QNDFTXRXHLSUIR-UWVGGRQHSA-N 0 0 305.399 3.431 20 10 DGCDRN Nc1ccc(CNC(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC001335452193 1178912350 /nfs/dbraw/zinc/91/23/50/1178912350.db2.gz OVCBRNVJOGOFHF-MJGOQNOKSA-N 0 0 323.440 3.479 20 10 DGCDRN CON(C[C@@H]1CCC[C@H](C)C1)C(=O)NCc1ccc(N)cc1 ZINC001335737005 1178946890 /nfs/dbraw/zinc/94/68/90/1178946890.db2.gz JJDFKWWZAHTEGK-DZGCQCFKSA-N 0 0 305.422 3.168 20 10 DGCDRN Brc1c[nH]nc1NCc1ccc(N2CCCC2)cc1 ZINC001336069041 1178989316 /nfs/dbraw/zinc/98/93/16/1178989316.db2.gz WBTWVWRJCSKXFA-UHFFFAOYSA-N 0 0 321.222 3.385 20 10 DGCDRN CC(C)[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(N)cc1 ZINC001336162236 1178999878 /nfs/dbraw/zinc/99/98/78/1178999878.db2.gz BHFJDEQGNJTLPL-GOSISDBHSA-N 0 0 311.429 3.335 20 10 DGCDRN Cc1cccnc1[C@H](NC(=O)Cc1ccc(N)cc1)C(C)(C)C ZINC001342926292 1179211812 /nfs/dbraw/zinc/21/18/12/1179211812.db2.gz DJVAFJXYPSFWAR-SFHVURJKSA-N 0 0 311.429 3.418 20 10 DGCDRN O=C(NCCCC(F)F)NCc1ccc(N2CCCC2)cc1 ZINC001343096997 1179233068 /nfs/dbraw/zinc/23/30/68/1179233068.db2.gz DQZWCPGXQGUIJJ-UHFFFAOYSA-N 0 0 311.376 3.131 20 10 DGCDRN O=C([O-])c1cc2ccccc2c(CN2CCC(F)(F)C2)c1O ZINC001602303603 1192968069 /nfs/dbraw/zinc/96/80/69/1192968069.db2.gz BKZKBFBXYXECEA-UHFFFAOYSA-N 0 0 307.296 3.085 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)CCCCc1cccc(O)c1 ZINC001346420251 1179698176 /nfs/dbraw/zinc/69/81/76/1179698176.db2.gz CBBHFZIFHJJATM-UHFFFAOYSA-N 0 0 313.397 3.469 20 10 DGCDRN Nc1ccc(CNC(=O)N2CC[C@H](Cc3ccccc3)C2)cc1 ZINC001346738603 1179741379 /nfs/dbraw/zinc/74/13/79/1179741379.db2.gz IIQLNWSWAMZKAS-QGZVFWFLSA-N 0 0 309.413 3.043 20 10 DGCDRN C[C@@H]1[C@@H](C(=O)N(Cc2ccco2)Cc2ccccc2O)C1(F)F ZINC001347013837 1179769006 /nfs/dbraw/zinc/76/90/06/1179769006.db2.gz GIDFBAMUCAYFEM-ABAIWWIYSA-N 0 0 321.323 3.415 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)[C@H](C)C3CCC3)CC2)cc1 ZINC001348039136 1179826286 /nfs/dbraw/zinc/82/62/86/1179826286.db2.gz SWELALUCIKHQGS-OAHLLOKOSA-N 0 0 316.445 3.170 20 10 DGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)C1(CF)CCC1 ZINC001349811343 1179955445 /nfs/dbraw/zinc/95/54/45/1179955445.db2.gz JUKZQOLXRCCHAY-UHFFFAOYSA-N 0 0 304.409 3.433 20 10 DGCDRN O=C(NCc1cccc(O)c1O)C1(c2ccccc2)CCCC1 ZINC001350299904 1180048234 /nfs/dbraw/zinc/04/82/34/1180048234.db2.gz KNYWFLITIKECLS-UHFFFAOYSA-N 0 0 311.381 3.226 20 10 DGCDRN O=C(CCCCc1cccc(O)c1)NCc1c(O)cccc1F ZINC001350609438 1180093788 /nfs/dbraw/zinc/09/37/88/1180093788.db2.gz DKJYBIVDMCTJOC-UHFFFAOYSA-N 0 0 317.360 3.266 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cc(C)nc(C)c2)cc1 ZINC001350863585 1180133276 /nfs/dbraw/zinc/13/32/76/1180133276.db2.gz BEBIFOWFPDQEFY-UHFFFAOYSA-N 0 0 311.429 3.475 20 10 DGCDRN CC(C)c1oncc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001350892182 1180138556 /nfs/dbraw/zinc/13/85/56/1180138556.db2.gz LVNJYHCSVONBHA-UHFFFAOYSA-N 0 0 313.401 3.328 20 10 DGCDRN CC[C@H](C)n1nccc1C(=O)NCc1ccc2cccnc2c1O ZINC001352303144 1180318555 /nfs/dbraw/zinc/31/85/55/1180318555.db2.gz BWSQQJPYIIMROF-LBPRGKRZSA-N 0 0 324.384 3.038 20 10 DGCDRN CC[C@H](C)n1nccc1C(=O)NCc1cc(Cl)ccc1O ZINC001352324634 1180320758 /nfs/dbraw/zinc/32/07/58/1180320758.db2.gz ACPOJCYIQAWNEZ-JTQLQIEISA-N 0 0 307.781 3.143 20 10 DGCDRN CC[C@H]1CC[C@@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)O1 ZINC001352614320 1180369647 /nfs/dbraw/zinc/36/96/47/1180369647.db2.gz AGNBSQMZRNAVER-ROUUACIJSA-N 0 0 316.445 3.203 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2C[C@]2(C)c2ccccc2)cc1 ZINC001353505476 1180573231 /nfs/dbraw/zinc/57/32/31/1180573231.db2.gz ZZFLLTOEWPRSRW-AZUAARDMSA-N 0 0 308.425 3.347 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1cc(F)c(F)c(F)c1 ZINC001300398250 1180640099 /nfs/dbraw/zinc/64/00/99/1180640099.db2.gz CYDXKYXVZCGIKT-UHFFFAOYSA-N 0 0 315.678 3.393 20 10 DGCDRN CC(C)c1ccc(O)c(C[NH+]2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC001604002771 1193042993 /nfs/dbraw/zinc/04/29/93/1193042993.db2.gz MSZIFJZBVWEUPR-HNNXBMFYSA-N 0 0 303.402 3.202 20 10 DGCDRN C[C@@H]1C[C@H](C)[C@@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)O1 ZINC001353912288 1180681891 /nfs/dbraw/zinc/68/18/91/1180681891.db2.gz WGKHCEKYUWOIOI-DAYGRLMNSA-N 0 0 316.445 3.059 20 10 DGCDRN Cc1cc(CC(=O)Nc2cnc(C)nc2)c(C)n1-c1ccccc1 ZINC001353926705 1180685673 /nfs/dbraw/zinc/68/56/73/1180685673.db2.gz UPRYMQGEJVMXTC-UHFFFAOYSA-N 0 0 320.396 3.374 20 10 DGCDRN C[C@@H](CC(C)(C)CC(=O)[O-])[NH2+]Cc1ccc2c(c1)CCCN2C ZINC001604122024 1193051657 /nfs/dbraw/zinc/05/16/57/1193051657.db2.gz KEGGWFKGFBOJLN-AWEZNQCLSA-N 0 0 318.461 3.438 20 10 DGCDRN Fc1cc(F)cc(NC(=S)NCc2cc(Cl)ccn2)c1 ZINC001200660989 1180792087 /nfs/dbraw/zinc/79/20/87/1180792087.db2.gz SQMHZLLRNPMQSQ-UHFFFAOYSA-N 0 0 313.760 3.500 20 10 DGCDRN CN(CCNC(=S)Nc1cc(F)cc(F)c1)c1ccccc1 ZINC001200674243 1180803507 /nfs/dbraw/zinc/80/35/07/1180803507.db2.gz DBGKRLFRXJFDNT-UHFFFAOYSA-N 0 0 321.396 3.388 20 10 DGCDRN Cc1cccc(CNC(=S)Nc2ccc(F)c(F)c2)c1O ZINC001200707044 1180841244 /nfs/dbraw/zinc/84/12/44/1180841244.db2.gz DJNVWQJWNQBHRP-UHFFFAOYSA-N 0 0 308.353 3.465 20 10 DGCDRN CC(C)NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001200774466 1180897861 /nfs/dbraw/zinc/89/78/61/1180897861.db2.gz CDVWGVXTCAULOQ-UHFFFAOYSA-N 0 0 324.405 3.157 20 10 DGCDRN C[C@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)N1CCCC[C@H]1C ZINC001604331808 1193066159 /nfs/dbraw/zinc/06/61/59/1193066159.db2.gz GSHIPBVKXDIYGF-MCIONIFRSA-N 0 0 320.433 3.004 20 10 DGCDRN C[C@@H]([NH2+]CCc1ccc(F)cc1)c1cc(C(=O)[O-])ccc1O ZINC001604342602 1193067738 /nfs/dbraw/zinc/06/77/38/1193067738.db2.gz ZASHKZLXFINSRG-LLVKDONJSA-N 0 0 303.333 3.123 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)c1cncc(F)c1 ZINC001604357046 1193068114 /nfs/dbraw/zinc/06/81/14/1193068114.db2.gz GHJQLPIBJULTOR-UWVGGRQHSA-N 0 0 304.321 3.036 20 10 DGCDRN CCCCc1nc(C)c(CC(=O)NCc2ccc(N)cc2)s1 ZINC001356226769 1181159933 /nfs/dbraw/zinc/15/99/33/1181159933.db2.gz COQVSIFSQREWJA-UHFFFAOYSA-N 0 0 317.458 3.235 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccns1 ZINC001357374136 1181394260 /nfs/dbraw/zinc/39/42/60/1181394260.db2.gz LXSHIAMAHKEIHT-UHFFFAOYSA-N 0 0 315.442 3.406 20 10 DGCDRN COc1ccc(N(C)C[C@H]2COC3(CCCCC3)O2)c(OC)c1 ZINC001473295130 1181417170 /nfs/dbraw/zinc/41/71/70/1181417170.db2.gz XOFPOXAOKGLRRC-HNNXBMFYSA-N 0 0 321.417 3.216 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cc2c(o1)CCCC2 ZINC001360075637 1181615543 /nfs/dbraw/zinc/61/55/43/1181615543.db2.gz MFZXSTCZNSFOKR-UHFFFAOYSA-N 0 0 312.413 3.463 20 10 DGCDRN CN(C(=O)/C=C\c1cnc2ccccc2n1)c1ccc(Cl)nc1 ZINC001436086331 1181865747 /nfs/dbraw/zinc/86/57/47/1181865747.db2.gz CDWYZKJOJJTKSO-TWGQIWQCSA-N 0 0 324.771 3.354 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)/C=C/c1ccco1 ZINC001436857677 1181912755 /nfs/dbraw/zinc/91/27/55/1181912755.db2.gz VCZUBGXGMJCHOF-BOLDSZDNSA-N 0 0 312.413 3.415 20 10 DGCDRN Cc1ccc([C@H]2CCCN2C(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001441013034 1182053997 /nfs/dbraw/zinc/05/39/97/1182053997.db2.gz HNZARTZTIQTVIZ-MRXNPFEDSA-N 0 0 311.381 3.312 20 10 DGCDRN Cc1cccc2c1CCN(C(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001443647170 1182105579 /nfs/dbraw/zinc/10/55/79/1182105579.db2.gz SLAOXQDXKPGBBH-UHFFFAOYSA-N 0 0 322.368 3.356 20 10 DGCDRN CC(C)Nc1ccc(F)cc1NC(=O)c1cccc(O)c1O ZINC001445227305 1182140932 /nfs/dbraw/zinc/14/09/32/1182140932.db2.gz UGQYPTSZYICAHT-UHFFFAOYSA-N 0 0 304.321 3.310 20 10 DGCDRN O=C(C[C@H]1OCc2cc(Cl)ccc21)NCc1ccccc1O ZINC001445967595 1182158532 /nfs/dbraw/zinc/15/85/32/1182158532.db2.gz CQSJGDLSPVCEED-MRXNPFEDSA-N 0 0 317.772 3.323 20 10 DGCDRN O=C(Nc1ccc(F)cc1OCC(F)F)C1=CC(=O)CS1 ZINC001446969055 1182181127 /nfs/dbraw/zinc/18/11/27/1182181127.db2.gz DJLBUXOGJLQOPH-UHFFFAOYSA-N 0 0 317.288 3.489 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1C(F)F ZINC001447559248 1182192095 /nfs/dbraw/zinc/19/20/95/1182192095.db2.gz BRUHHRMGVZEWDR-SNVBAGLBSA-N 0 0 321.323 3.396 20 10 DGCDRN Cc1cc2ccc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cn2c1 ZINC001447565550 1182192168 /nfs/dbraw/zinc/19/21/68/1182192168.db2.gz UODZSHKFXDUXSK-CYBMUJFWSA-N 0 0 324.380 3.020 20 10 DGCDRN Cc1cc(C(=O)NC2CC(=O)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC001450099430 1182241402 /nfs/dbraw/zinc/24/14/02/1182241402.db2.gz XUNNFPKSTXPSSW-UHFFFAOYSA-N 0 0 310.397 3.172 20 10 DGCDRN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cc(Cl)ccc1O ZINC001452941792 1182305504 /nfs/dbraw/zinc/30/55/04/1182305504.db2.gz HCDHDOPWXKCQHI-UHFFFAOYSA-N 0 0 320.732 3.192 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](CO)C1CCC1 ZINC001453313647 1182312887 /nfs/dbraw/zinc/31/28/87/1182312887.db2.gz QVTHFKHDNDQPPF-AWEZNQCLSA-N 0 0 318.442 3.046 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)COc2ccc(Cl)cc2)c1 ZINC001453653661 1182321399 /nfs/dbraw/zinc/32/13/99/1182321399.db2.gz WNUMQEZZNTXRNP-UHFFFAOYSA-N 0 0 305.761 3.049 20 10 DGCDRN Cc1cc(CNC(=O)[C@H](O)C(C)(C)C)c(C)n1-c1ccccc1 ZINC001454627031 1182348777 /nfs/dbraw/zinc/34/87/77/1182348777.db2.gz SHUKXGNHCASIMM-KRWDZBQOSA-N 0 0 314.429 3.117 20 10 DGCDRN Cc1cc(F)c(CC(=O)N[C@@H](C)c2ccccc2O)cc1F ZINC001454819100 1182353931 /nfs/dbraw/zinc/35/39/31/1182353931.db2.gz OVZFGDBWYQQPRR-NSHDSACASA-N 0 0 305.324 3.399 20 10 DGCDRN O=C(c1cc(Cl)ncc1Cl)N1Cc2cccc(O)c2C1 ZINC001455035734 1182358778 /nfs/dbraw/zinc/35/87/78/1182358778.db2.gz BWHUCIZVYYMNDG-UHFFFAOYSA-N 0 0 309.152 3.250 20 10 DGCDRN Cc1ccc(C(=O)N2CCC[C@@H](C3CCC3)CC2)c(O)c1O ZINC001455084279 1182360100 /nfs/dbraw/zinc/36/01/00/1182360100.db2.gz FMCVPXSPDZSFID-CQSZACIVSA-N 0 0 303.402 3.449 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001455356168 1182366931 /nfs/dbraw/zinc/36/69/31/1182366931.db2.gz XKQVVJVZCNOCQS-HZPDHXFCSA-N 0 0 315.344 3.047 20 10 DGCDRN CC(C)Cc1coc(NC(=O)c2ccc(N=NC(N)=O)cc2)n1 ZINC001457104040 1182444712 /nfs/dbraw/zinc/44/47/12/1182444712.db2.gz QUBUGSLFUWVCOC-UHFFFAOYSA-N 0 0 315.333 3.288 20 10 DGCDRN Cc1ncccc1/C=C\C(=O)N(C)c1cccnc1N1CCCC1 ZINC001457362899 1182459764 /nfs/dbraw/zinc/45/97/64/1182459764.db2.gz AYSMBGGJLSKGRJ-KTKRTIGZSA-N 0 0 322.412 3.061 20 10 DGCDRN O=[N+]([O-])c1cnc2ccc(F)cc2c1NCc1ccccc1O ZINC001458148686 1182501031 /nfs/dbraw/zinc/50/10/31/1182501031.db2.gz ZMXFQXWRHKFGHE-UHFFFAOYSA-N 0 0 313.288 3.022 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1c(Cl)cncc1[N+](=O)[O-] ZINC001458179940 1182502916 /nfs/dbraw/zinc/50/29/16/1182502916.db2.gz JNZWDOMQIGMNJZ-UHFFFAOYSA-N 0 0 320.780 3.052 20 10 DGCDRN CCOC(=O)[C@@H]1C[C@H]1CSc1ncc(-c2ccccc2)n1C ZINC001458853954 1182555665 /nfs/dbraw/zinc/55/56/65/1182555665.db2.gz BESGMGDFJPDFCR-UONOGXRCSA-N 0 0 316.426 3.378 20 10 DGCDRN COC(=O)c1cc(OCc2ccccc2F)ccc1N(C)C ZINC001459240736 1182575688 /nfs/dbraw/zinc/57/56/88/1182575688.db2.gz PGGDSPDGSONFCP-UHFFFAOYSA-N 0 0 303.333 3.257 20 10 DGCDRN COc1ccc(N(CCOC(=O)N(C)C)CCC(C)C)cc1 ZINC001460054732 1182645881 /nfs/dbraw/zinc/64/58/81/1182645881.db2.gz MTRSLHRCOASDCF-UHFFFAOYSA-N 0 0 308.422 3.246 20 10 DGCDRN CCc1nc(CC[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)cs1 ZINC001605851545 1193179677 /nfs/dbraw/zinc/17/96/77/1193179677.db2.gz HSRXZILQCLNRSJ-SNVBAGLBSA-N 0 0 320.414 3.003 20 10 DGCDRN Cc1ccc(NCc2ccc(N3CCN(C)CC3)c(F)c2)cc1 ZINC001461070735 1182764304 /nfs/dbraw/zinc/76/43/04/1182764304.db2.gz YLIHQQQSCXPTRV-UHFFFAOYSA-N 0 0 313.420 3.498 20 10 DGCDRN Cc1ncccc1/C=C/C(=O)N1CCOc2cc(F)c(F)cc21 ZINC001461291405 1182792810 /nfs/dbraw/zinc/79/28/10/1182792810.db2.gz LUOWIRJVFCXUFH-SNAWJCMRSA-N 0 0 316.307 3.107 20 10 DGCDRN COc1c(Cl)cccc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001461790690 1182854518 /nfs/dbraw/zinc/85/45/18/1182854518.db2.gz YQDKNMCQFDHQSK-UHFFFAOYSA-N 0 0 322.748 3.252 20 10 DGCDRN Cc1cc(O)c(CNc2ccc(CNC(N)=O)cc2)cc1Cl ZINC001462003809 1182894187 /nfs/dbraw/zinc/89/41/87/1182894187.db2.gz WWMJZOUSDZGXQD-UHFFFAOYSA-N 0 0 319.792 3.134 20 10 DGCDRN C[C@H]1CN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CCO1 ZINC001462005973 1182894502 /nfs/dbraw/zinc/89/45/02/1182894502.db2.gz AQDWCTWEIKGZCD-KRWDZBQOSA-N 0 0 322.452 3.470 20 10 DGCDRN Oc1ccccc1CN(Cc1ncccc1F)C[C@@H]1CCCO1 ZINC001462021963 1182896648 /nfs/dbraw/zinc/89/66/48/1182896648.db2.gz JGNWZFKSZUGPII-HNNXBMFYSA-N 0 0 316.376 3.108 20 10 DGCDRN C/C=C\C[C@H](NCc1ccc(N(C)C)cc1C)C(=O)OCC ZINC001462187562 1182921210 /nfs/dbraw/zinc/92/12/10/1182921210.db2.gz DXCISXHMNBIKSQ-QLBOMPFWSA-N 0 0 304.434 3.049 20 10 DGCDRN Oc1c(F)cccc1CN1CC(OCCCc2ccccc2)C1 ZINC001462323562 1182940300 /nfs/dbraw/zinc/94/03/00/1182940300.db2.gz RGPIFPDKFVHLRJ-UHFFFAOYSA-N 0 0 315.388 3.365 20 10 DGCDRN Cc1ccc(C2=NO[C@H](C[NH2+]Cc3cccc(F)c3[O-])C2)cc1 ZINC001462552428 1182968630 /nfs/dbraw/zinc/96/86/30/1182968630.db2.gz NOMNBZNREYQZAP-HNNXBMFYSA-N 0 0 314.360 3.123 20 10 DGCDRN C[C@H](CC(N)=O)c1ccc(NCc2cc(F)ccc2O)cc1 ZINC001462604553 1182975411 /nfs/dbraw/zinc/97/54/11/1182975411.db2.gz QPODBQRHAFBRMI-LLVKDONJSA-N 0 0 302.349 3.122 20 10 DGCDRN COC(=O)c1csc(C[NH2+]Cc2cccc(Cl)c2[O-])c1 ZINC001462655175 1182980417 /nfs/dbraw/zinc/98/04/17/1182980417.db2.gz RSHORQPLYGKXKL-UHFFFAOYSA-N 0 0 311.790 3.184 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3cc4c([nH]3)CCCC4)ccc21 ZINC001464518518 1183096741 /nfs/dbraw/zinc/09/67/41/1183096741.db2.gz KAZAJGXBULTWSJ-UHFFFAOYSA-N 0 0 323.440 3.206 20 10 DGCDRN C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)Cc1ccc(O)c(O)c1 ZINC001465120264 1183130777 /nfs/dbraw/zinc/13/07/77/1183130777.db2.gz ROHCAQUMTIYLEZ-XJKSGUPXSA-N 0 0 311.381 3.045 20 10 DGCDRN C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1O ZINC001465185298 1183134924 /nfs/dbraw/zinc/13/49/24/1183134924.db2.gz PGHUSTZMCPREEB-SNVBAGLBSA-N 0 0 301.302 3.183 20 10 DGCDRN CC(=O)c1ccc(CC(=O)NCc2cccc(Cl)c2O)cc1 ZINC001606860292 1193206116 /nfs/dbraw/zinc/20/61/16/1193206116.db2.gz IRUSQCZFIJXNFZ-UHFFFAOYSA-N 0 0 317.772 3.107 20 10 DGCDRN Cc1ccc(/C=C\C(=O)NCc2cccc(Cl)c2O)cn1 ZINC001606859977 1193206341 /nfs/dbraw/zinc/20/63/41/1193206341.db2.gz CRCSBUMVMYDFAS-FPLPWBNLSA-N 0 0 302.761 3.079 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc2cccnc2n1 ZINC001465845542 1183172439 /nfs/dbraw/zinc/17/24/39/1183172439.db2.gz CUHGJLFVGOCIHV-UHFFFAOYSA-N 0 0 321.380 3.388 20 10 DGCDRN CCCC[C@H](O)CCC(=O)N(CCC)Cc1ccccc1O ZINC001465846574 1183172635 /nfs/dbraw/zinc/17/26/35/1183172635.db2.gz WBHRXWHFTSRFSJ-INIZCTEOSA-N 0 0 307.434 3.462 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C(C)=C/c2cccnc2)c1 ZINC001465992798 1183182230 /nfs/dbraw/zinc/18/22/30/1183182230.db2.gz MUDFQXKTTYHIHS-CNELAYHGSA-N 0 0 312.369 3.077 20 10 DGCDRN CSc1ccc(NC(=O)N[C@H](C)c2ccccc2O)nc1 ZINC001466142669 1183189465 /nfs/dbraw/zinc/18/94/65/1183189465.db2.gz ZNODJBLSSQGEHR-SNVBAGLBSA-N 0 0 303.387 3.392 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1cc(Cl)ccn1 ZINC001466513048 1183209619 /nfs/dbraw/zinc/20/96/19/1183209619.db2.gz HJHDPSSMMIELHS-UHFFFAOYSA-N 0 0 318.808 3.431 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)Nc1ccc(F)nc1F ZINC001466645475 1183216960 /nfs/dbraw/zinc/21/69/60/1183216960.db2.gz ZIGPBUUWNRUZFC-UHFFFAOYSA-N 0 0 313.691 3.041 20 10 DGCDRN Cc1cc(C(=O)N2CC(F)(F)C2)c(C)n1-c1cccc(C)c1 ZINC001466784271 1183224943 /nfs/dbraw/zinc/22/49/43/1183224943.db2.gz DPRXJYNMVXXASU-UHFFFAOYSA-N 0 0 304.340 3.494 20 10 DGCDRN CC(C)[C@@H](CNC(=O)c1cccc(O)c1O)Cc1ccccc1 ZINC001467252925 1183249407 /nfs/dbraw/zinc/24/94/07/1183249407.db2.gz KPHWOGNCSSFBMN-OAHLLOKOSA-N 0 0 313.397 3.343 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCCCO1 ZINC001467270351 1183251256 /nfs/dbraw/zinc/25/12/56/1183251256.db2.gz SIWVRPVZIGSJTQ-UHFFFAOYSA-N 0 0 312.369 3.074 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@H](C3CCC3)C2)cc1 ZINC001467969233 1183300826 /nfs/dbraw/zinc/30/08/26/1183300826.db2.gz VEQZYBBZGRUDLC-KRWDZBQOSA-N 0 0 315.461 3.474 20 10 DGCDRN COc1c(OC(=O)Cc2ccc(O)c(O)c2)ccc2ccccc21 ZINC001468166076 1183313556 /nfs/dbraw/zinc/31/35/56/1183313556.db2.gz ZILVHLJQHRJGTD-UHFFFAOYSA-N 0 0 324.332 3.408 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CCCC12CC2 ZINC001468744459 1183354872 /nfs/dbraw/zinc/35/48/72/1183354872.db2.gz SHVUQRUDDMJKQR-INIZCTEOSA-N 0 0 315.461 3.441 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C ZINC001468743855 1183355062 /nfs/dbraw/zinc/35/50/62/1183355062.db2.gz LFJSLHUYIZWEMQ-IKICRFKJSA-N 0 0 315.461 3.152 20 10 DGCDRN CCC(C)(C)C(=O)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001469103774 1183382682 /nfs/dbraw/zinc/38/26/82/1183382682.db2.gz KNDROSLXVAVOEO-CQSZACIVSA-N 0 0 318.461 3.114 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc(O)cc2O)c(Cl)c1C ZINC001469160802 1183387709 /nfs/dbraw/zinc/38/77/09/1183387709.db2.gz TYXVALYELGCGFK-UHFFFAOYSA-N 0 0 305.761 3.298 20 10 DGCDRN Cc1cc(C)c(/C=C\C(=O)NCc2ccc(O)cc2O)cc1C ZINC001469161176 1183387721 /nfs/dbraw/zinc/38/77/21/1183387721.db2.gz HVQPVULTKCWAAC-ALCCZGGFSA-N 0 0 311.381 3.353 20 10 DGCDRN COc1c[nH]nc1NC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC001469683936 1183429874 /nfs/dbraw/zinc/42/98/74/1183429874.db2.gz IVAYZJWOZFDXTM-UHFFFAOYSA-N 0 0 324.384 3.387 20 10 DGCDRN Cc1ccc(C(=O)NCC(C)(C)c2ccccc2C)c(O)c1O ZINC001546180079 1183481219 /nfs/dbraw/zinc/48/12/19/1183481219.db2.gz GTRWMNJRYCYRKM-UHFFFAOYSA-N 0 0 313.397 3.422 20 10 DGCDRN CS[C@@H]1CCC[C@H]([NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)C1 ZINC001607391350 1193226918 /nfs/dbraw/zinc/22/69/18/1193226918.db2.gz JZJDYAGZVOEHSL-KGYLQXTDSA-N 0 0 309.431 3.415 20 10 DGCDRN Cc1cc(CNC(=O)c2ccns2)c(C)n1-c1ccccc1 ZINC001471017744 1183532442 /nfs/dbraw/zinc/53/24/42/1183532442.db2.gz MPLJSDBDNBRCEX-UHFFFAOYSA-N 0 0 311.410 3.481 20 10 DGCDRN O=C(Nc1ccc(C(=O)C(F)(F)F)cc1)C1=CC(=O)CS1 ZINC001471160648 1183542328 /nfs/dbraw/zinc/54/23/28/1183542328.db2.gz LUEBDSFFDZPGER-UHFFFAOYSA-N 0 0 315.272 3.451 20 10 DGCDRN C[C@@H](NC(=O)Cc1c[nH]c2cc(F)ccc12)c1ccccc1O ZINC001471195831 1183545470 /nfs/dbraw/zinc/54/54/70/1183545470.db2.gz NBKDKRHCLDLGRT-LLVKDONJSA-N 0 0 312.344 3.433 20 10 DGCDRN O=C(COc1ccc2ccccc2c1)N1Cc2cccc(O)c2C1 ZINC001471358400 1183558568 /nfs/dbraw/zinc/55/85/68/1183558568.db2.gz QKBOJNXWSVYCDE-UHFFFAOYSA-N 0 0 319.360 3.467 20 10 DGCDRN O=C(c1cc2c(ccnc2Cl)o1)N1Cc2cccc(O)c2C1 ZINC001471355553 1183558918 /nfs/dbraw/zinc/55/89/18/1183558918.db2.gz KOMTWQSBXJJYAP-UHFFFAOYSA-N 0 0 314.728 3.343 20 10 DGCDRN O=C(NCc1cccc(O)c1O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001471642293 1183580380 /nfs/dbraw/zinc/58/03/80/1183580380.db2.gz RJWKVZKXFUSTRN-HUUCEWRRSA-N 0 0 311.381 3.298 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1ccnc(Cl)c1Cl ZINC001471975995 1183604552 /nfs/dbraw/zinc/60/45/52/1183604552.db2.gz PJUSHWAWJYLOKW-UHFFFAOYSA-N 0 0 315.131 3.163 20 10 DGCDRN CCSCc1ccc(C(=O)NCc2c(O)cccc2O)cc1 ZINC001472063016 1183612342 /nfs/dbraw/zinc/61/23/42/1183612342.db2.gz BYZSWHZRKNIFCD-UHFFFAOYSA-N 0 0 317.410 3.281 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)C(=O)c1ccc(F)cc1 ZINC001472085195 1183614113 /nfs/dbraw/zinc/61/41/13/1183614113.db2.gz MTKWVFDLIRJELE-UHFFFAOYSA-N 0 0 323.323 3.184 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)C(=O)c1ccc(Cl)cc1 ZINC001472316445 1183634485 /nfs/dbraw/zinc/63/44/85/1183634485.db2.gz RRJGSCWJMUYHTG-UHFFFAOYSA-N 0 0 324.163 3.198 20 10 DGCDRN CN(Cc1ccc(Cl)s1)C(=O)c1c(F)ccc(O)c1O ZINC001472475953 1183648107 /nfs/dbraw/zinc/64/81/07/1183648107.db2.gz BVQUOCZNISXCHS-UHFFFAOYSA-N 0 0 315.753 3.224 20 10 DGCDRN CN(C)c1ccc(Cn2c(=O)sc3c2cccc3F)cc1 ZINC001473035889 1183709331 /nfs/dbraw/zinc/70/93/31/1183709331.db2.gz XPHGXZXFIGCOPU-UHFFFAOYSA-N 0 0 302.374 3.316 20 10 DGCDRN COC(=O)COc1ccc(N(C)Cc2ccc3cc[nH]c3c2)cc1 ZINC001473372634 1183749217 /nfs/dbraw/zinc/74/92/17/1183749217.db2.gz BCHHGDNXTSAMHL-UHFFFAOYSA-N 0 0 324.380 3.356 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN(C)c2ccccc2CO)c1O ZINC001473586041 1183776394 /nfs/dbraw/zinc/77/63/94/1183776394.db2.gz ADZHOSNWNVJDJX-UHFFFAOYSA-N 0 0 319.788 3.377 20 10 DGCDRN Cc1ccc(C(N)=O)cc1NCc1cc(F)c(N(C)C)cc1F ZINC001474054350 1183858930 /nfs/dbraw/zinc/85/89/30/1183858930.db2.gz ZTRFIKLILLAVRG-UHFFFAOYSA-N 0 0 319.355 3.050 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCc1cccc2[nH]ccc21 ZINC001474125860 1183871599 /nfs/dbraw/zinc/87/15/99/1183871599.db2.gz ZYFLBHDJJXUEJL-UHFFFAOYSA-N 0 0 302.324 3.484 20 10 DGCDRN Cc1noc([C@@H](NC/C=C\c2ccc(N(C)C)cc2)C(C)C)n1 ZINC001474306312 1183902564 /nfs/dbraw/zinc/90/25/64/1183902564.db2.gz ARLXKYCGOBTZEJ-TUYSUELWSA-N 0 0 314.433 3.444 20 10 DGCDRN CCN1C(=O)CCc2cc(NCc3cc(F)ccc3O)ccc21 ZINC001474431087 1183920774 /nfs/dbraw/zinc/92/07/74/1183920774.db2.gz BOAGNASQBILRJY-UHFFFAOYSA-N 0 0 314.360 3.443 20 10 DGCDRN CN(C[C@@H]1CCN(c2ccccc2)C1)c1ccc2c(c1)OCO2 ZINC001474431917 1183920835 /nfs/dbraw/zinc/92/08/35/1183920835.db2.gz RVEGPHKBSWWWRM-HNNXBMFYSA-N 0 0 310.397 3.378 20 10 DGCDRN CC(=O)Nc1ccc(NCc2cc(Cl)c(C)cc2O)nc1 ZINC001474438256 1183922399 /nfs/dbraw/zinc/92/23/99/1183922399.db2.gz SYFLBKLFBBXZFH-UHFFFAOYSA-N 0 0 305.765 3.320 20 10 DGCDRN C[C@@H]1CN(Cc2cc(F)cc(F)c2O)c2ccccc2NC1=O ZINC001474523211 1183934550 /nfs/dbraw/zinc/93/45/50/1183934550.db2.gz SFBRLUNPFRHMII-SNVBAGLBSA-N 0 0 318.323 3.265 20 10 DGCDRN CN(Cc1cccs1)c1ccc(CNCc2ncc[nH]2)cc1 ZINC001474654032 1183957581 /nfs/dbraw/zinc/95/75/81/1183957581.db2.gz OMWAJPMRCPICBP-UHFFFAOYSA-N 0 0 312.442 3.397 20 10 DGCDRN Oc1cc(Cl)ccc1CN1CCO[C@@H](C(F)(F)F)CC1 ZINC001474692663 1183963524 /nfs/dbraw/zinc/96/35/24/1183963524.db2.gz ANAWLFUNTIXJJO-GFCCVEGCSA-N 0 0 309.715 3.199 20 10 DGCDRN COc1cccc2c1CC[C@@H]([NH2+]Cc1c([O-])cccc1F)C2 ZINC001474716425 1183968137 /nfs/dbraw/zinc/96/81/37/1183968137.db2.gz MMEPZRSCFBFXPP-CYBMUJFWSA-N 0 0 301.361 3.187 20 10 DGCDRN C[C@@H](NC(=O)Nc1cccc([S@](C)=O)c1)c1ccccc1O ZINC001476119475 1184029185 /nfs/dbraw/zinc/02/91/85/1184029185.db2.gz IVOUZEGHHTVIOP-XFNZEKPQSA-N 0 0 318.398 3.012 20 10 DGCDRN Cc1ccc(O)c(C[N@H+](CC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC001607811234 1193259777 /nfs/dbraw/zinc/25/97/77/1193259777.db2.gz NPVGLTFFUBUQRE-UHFFFAOYSA-N 0 0 321.323 3.066 20 10 DGCDRN O=C(N[C@H](c1ccccc1)C(F)F)N1Cc2cccc(O)c2C1 ZINC001476631727 1184046625 /nfs/dbraw/zinc/04/66/25/1184046625.db2.gz BMOSWSOJTIUICJ-OAHLLOKOSA-N 0 0 318.323 3.424 20 10 DGCDRN CCCN(C)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001476767837 1184050447 /nfs/dbraw/zinc/05/04/47/1184050447.db2.gz KNCWQQIBHCZART-UHFFFAOYSA-N 0 0 309.373 3.270 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)NCCC(C)(C)C)cc1 ZINC001477353935 1184085322 /nfs/dbraw/zinc/08/53/22/1184085322.db2.gz ZNBFZONOWJQCKF-UHFFFAOYSA-N 0 0 321.465 3.209 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CC12CCC2 ZINC001478841408 1184180246 /nfs/dbraw/zinc/18/02/46/1184180246.db2.gz VTAKBDXIJMWPFX-YOEHRIQHSA-N 0 0 315.461 3.234 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCc2ccc(O)c(Cl)c2)c1 ZINC001479212330 1184210312 /nfs/dbraw/zinc/21/03/12/1184210312.db2.gz MIFHUIYVODEXKC-UHFFFAOYSA-N 0 0 320.776 3.059 20 10 DGCDRN CC(C)([NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)C(=O)[O-] ZINC001609680623 1193348939 /nfs/dbraw/zinc/34/89/39/1193348939.db2.gz CEHUUGRYKSOUGU-UHFFFAOYSA-N 0 0 324.424 3.202 20 10 DGCDRN COc1cc(F)cc(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)c1 ZINC001610296105 1193381764 /nfs/dbraw/zinc/38/17/64/1193381764.db2.gz LORMOVBEYGVFAK-SNVBAGLBSA-N 0 0 319.332 3.089 20 10 DGCDRN COc1ccc(C[NH2+][C@H](C(=O)[O-])c2cc(F)ccc2F)cc1C ZINC001610336233 1193383214 /nfs/dbraw/zinc/38/32/14/1193383214.db2.gz PSMOFVGHAJXYMT-INIZCTEOSA-N 0 0 321.323 3.197 20 10 DGCDRN COc1ccc(C[NH2+][C@@H]2CCC[C@@H](CCCC(=O)[O-])C2)c(O)c1 ZINC001610335779 1193383310 /nfs/dbraw/zinc/38/33/10/1193383310.db2.gz LMPLJTYEBMCRDS-DZGCQCFKSA-N 0 0 321.417 3.304 20 10 DGCDRN Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ncc(C(=O)[O-])s2)c(O)c1 ZINC001610490637 1193392871 /nfs/dbraw/zinc/39/28/71/1193392871.db2.gz IVUSDTSHSROQRM-ZJUUUORDSA-N 0 0 306.387 3.267 20 10 DGCDRN O=C(N[C@H]1CCCc2ccc(F)cc21)c1c(F)ccc(O)c1O ZINC001611257800 1193428816 /nfs/dbraw/zinc/42/88/16/1193428816.db2.gz PVESGQSHYFPBDL-ZDUSSCGKSA-N 0 0 319.307 3.183 20 10 DGCDRN CN(Cc1ccccc1O)c1nnc(C(F)(F)CC2CC2)n1C ZINC001519221526 1186869754 /nfs/dbraw/zinc/86/97/54/1186869754.db2.gz BARIHRICGQRZTN-UHFFFAOYSA-N 0 0 322.359 3.049 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCOCC1CC1 ZINC001523552901 1187171662 /nfs/dbraw/zinc/17/16/62/1187171662.db2.gz DKZJDSFDQAVAQA-UHFFFAOYSA-N 0 0 316.445 3.062 20 10 DGCDRN COC(=O)c1cnc(SCc2ccc3c[nH]nc3c2)s1 ZINC001613812202 1193477221 /nfs/dbraw/zinc/47/72/21/1193477221.db2.gz JFPYIJXWHPRMIY-UHFFFAOYSA-N 0 0 305.384 3.098 20 10 DGCDRN COC(=O)c1cnc(SCc2cncc(Cl)c2)s1 ZINC001613813129 1193477290 /nfs/dbraw/zinc/47/72/90/1193477290.db2.gz UJQOMSPOWOHXEN-UHFFFAOYSA-N 0 0 300.792 3.270 20 10 DGCDRN CC[C@@H](C)n1nccc1C(=O)NCc1ccc(N(C)C)cc1C ZINC001527586078 1187437267 /nfs/dbraw/zinc/43/72/67/1187437267.db2.gz JDISBHOOXPNVCT-CQSZACIVSA-N 0 0 314.433 3.159 20 10 DGCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H]2C=CCC2)CCCC1 ZINC001527939920 1187458571 /nfs/dbraw/zinc/45/85/71/1187458571.db2.gz JFIUKIBUFXENKT-CQSZACIVSA-N 0 0 324.424 3.364 20 10 DGCDRN O=C(NCc1cccc(O)c1O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001528771343 1187511202 /nfs/dbraw/zinc/51/12/02/1187511202.db2.gz NYDHZJLECZYVEN-HDJSIYSDSA-N 0 0 303.402 3.321 20 10 DGCDRN O=C(/C=C/c1cccnc1)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001529464033 1187561034 /nfs/dbraw/zinc/56/10/34/1187561034.db2.gz NSXOWQNBDKNWDV-RMKNXTFCSA-N 0 0 323.352 3.373 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)C[C@@H]2CC[C@H](C)C2)cc1 ZINC001530908083 1187652545 /nfs/dbraw/zinc/65/25/45/1187652545.db2.gz XHEHTSZVSXNJJS-JKSUJKDBSA-N 0 0 318.461 3.416 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)CC(C)(C)C2CC2)cc1 ZINC001530904702 1187652732 /nfs/dbraw/zinc/65/27/32/1187652732.db2.gz JUYQYLQFVZORAA-UHFFFAOYSA-N 0 0 318.461 3.416 20 10 DGCDRN O=C(/C=C\c1ccc(Cl)nc1)N1CCCn2ncc(Cl)c21 ZINC001532491681 1187759850 /nfs/dbraw/zinc/75/98/50/1187759850.db2.gz CASBGYVGJAYASV-HYXAFXHYSA-N 0 0 323.183 3.035 20 10 DGCDRN COc1ccc(N2CCN(C(=O)/C=C\C3CCCC3)CC2)cc1 ZINC001534018078 1187869039 /nfs/dbraw/zinc/86/90/39/1187869039.db2.gz PCXPVRXSFDGUGI-WDZFZDKYSA-N 0 0 314.429 3.090 20 10 DGCDRN COc1ncc(/C=C\C(=O)N2CC[C@@H](C)c3cccc(C)c32)cn1 ZINC001534104861 1187876032 /nfs/dbraw/zinc/87/60/32/1187876032.db2.gz NSRRWJLMQUTYDI-MEJMFZKBSA-N 0 0 323.396 3.347 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@H](C)O[C@@H]2C)cc1 ZINC001535054364 1187935656 /nfs/dbraw/zinc/93/56/56/1187935656.db2.gz VLBPSPZRPRFIRD-HDMKZQKVSA-N 0 0 312.413 3.390 20 10 DGCDRN Cc1cc(CNC(=O)c2ccsn2)c(C)n1-c1ccccc1 ZINC001535142469 1187940828 /nfs/dbraw/zinc/94/08/28/1187940828.db2.gz BUMAKMKXZBKOQU-UHFFFAOYSA-N 0 0 311.410 3.481 20 10 DGCDRN CCCCNC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000034132867 1193532104 /nfs/dbraw/zinc/53/21/04/1193532104.db2.gz VPXXXAWQGKLXDF-UHFFFAOYSA-N 0 0 322.364 3.384 20 10 DGCDRN Cn1cnc(/C=C\C(=O)N(CC(F)(F)F)c2ccccc2)c1 ZINC001537429829 1188073946 /nfs/dbraw/zinc/07/39/46/1188073946.db2.gz LHFQYJKJNPNXLW-FPLPWBNLSA-N 0 0 309.291 3.029 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCCC[C@@H]2C)cc1 ZINC001616534007 1193541743 /nfs/dbraw/zinc/54/17/43/1193541743.db2.gz MLLUCJNQMDQFDT-MAUKXSAKSA-N 0 0 318.461 3.416 20 10 DGCDRN C[C@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)n1cccc1 ZINC001540486866 1188242471 /nfs/dbraw/zinc/24/24/71/1188242471.db2.gz DIFVEEAJOXWTJO-MRXNPFEDSA-N 0 0 311.429 3.308 20 10 DGCDRN C[C@@H](NC(=O)Cc1cc(F)ccc1O)c1ccc(N(C)C)cc1 ZINC001616834956 1193548853 /nfs/dbraw/zinc/54/88/53/1193548853.db2.gz PABOBLGJBJGUJS-GFCCVEGCSA-N 0 0 316.376 3.017 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC1CCC1 ZINC001540743737 1188258589 /nfs/dbraw/zinc/25/85/89/1188258589.db2.gz YVIKGIKONUOZER-UHFFFAOYSA-N 0 0 310.397 3.437 20 10 DGCDRN CCCOc1cc(C)ccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001542123393 1188277576 /nfs/dbraw/zinc/27/75/76/1188277576.db2.gz FEAUPQFFMNMALE-UHFFFAOYSA-N 0 0 315.369 3.376 20 10 DGCDRN CC(=O)Nc1ccc(Cl)c(NC(=O)C2=CC(=O)CS2)c1 ZINC001543451271 1188334793 /nfs/dbraw/zinc/33/47/93/1188334793.db2.gz HXZHHPBLIXUHHS-UHFFFAOYSA-N 0 0 310.762 3.318 20 10 DGCDRN CCC/C=C/[C@H](O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC001544884435 1188413572 /nfs/dbraw/zinc/41/35/72/1188413572.db2.gz FTMMRKLCKLTSRE-BLGFXRMMSA-N 0 0 318.461 3.207 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cnc2cc[nH]c2c1 ZINC001545504718 1188431753 /nfs/dbraw/zinc/43/17/53/1188431753.db2.gz CTNNNYMTAICGSK-UHFFFAOYSA-N 0 0 309.369 3.321 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2ncc(Cl)s2)cc1 ZINC001617305465 1193565362 /nfs/dbraw/zinc/56/53/62/1193565362.db2.gz YKSUFRUOVLGAJC-UHFFFAOYSA-N 0 0 309.738 3.211 20 10 DGCDRN CC[C@H]1c2ccccc2CCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001617579295 1193574554 /nfs/dbraw/zinc/57/45/54/1193574554.db2.gz PMTWRWFODUNWDD-INIZCTEOSA-N 0 0 311.381 3.176 20 10 DGCDRN CCN(CC)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001562965674 1188758992 /nfs/dbraw/zinc/75/89/92/1188758992.db2.gz WYKNDDNGLBGFRI-UHFFFAOYSA-N 0 0 309.373 3.270 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCCC[C@H]1c1ccccc1 ZINC001556099415 1188984492 /nfs/dbraw/zinc/98/44/92/1188984492.db2.gz PUTFOWYOMCNQGP-INIZCTEOSA-N 0 0 311.381 3.394 20 10 DGCDRN CC(C)[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)c2ccccc21 ZINC001556456398 1189002373 /nfs/dbraw/zinc/00/23/73/1189002373.db2.gz JAUVLTIQIFFOCY-HNNXBMFYSA-N 0 0 311.381 3.427 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1CC1(C)C ZINC001556989407 1189033823 /nfs/dbraw/zinc/03/38/23/1189033823.db2.gz CTFVOYSUVIRJRN-KRWDZBQOSA-N 0 0 310.397 3.435 20 10 DGCDRN C[C@H](NC(=O)c1ccc(-n2cccc2)nc1)c1ccccc1O ZINC001557967756 1189096167 /nfs/dbraw/zinc/09/61/67/1189096167.db2.gz KINNFGVMWTUDDJ-ZDUSSCGKSA-N 0 0 307.353 3.069 20 10 DGCDRN O=C(c1csc(-c2ccco2)n1)N1Cc2cccc(O)c2C1 ZINC001558035615 1189100694 /nfs/dbraw/zinc/10/06/94/1189100694.db2.gz KXQGTVNCCCWKAF-UHFFFAOYSA-N 0 0 312.350 3.265 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H](C2CCC2)CC1 ZINC001558058368 1189101512 /nfs/dbraw/zinc/10/15/12/1189101512.db2.gz OIDVVHFFQUBMLK-OAHLLOKOSA-N 0 0 303.402 3.069 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1cc2cc(Cl)sc2[nH]1 ZINC001558162355 1189108563 /nfs/dbraw/zinc/10/85/63/1189108563.db2.gz ZVVBWHWTNOVUFI-UHFFFAOYSA-N 0 0 322.773 3.224 20 10 DGCDRN C[C@H](Cc1cccc(Cl)c1)C(=O)NCc1c(O)cccc1O ZINC001558533268 1189131806 /nfs/dbraw/zinc/13/18/06/1189131806.db2.gz AYMNDGCDICLZHB-LLVKDONJSA-N 0 0 319.788 3.246 20 10 DGCDRN CC[C@H]1C[C@H](C(=O)NCc2c(O)ccc3ccccc32)CCO1 ZINC001558554025 1189132828 /nfs/dbraw/zinc/13/28/28/1189132828.db2.gz HRPWRRFTMPKUMQ-CABCVRRESA-N 0 0 313.397 3.367 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](CO)C(C)C)c(C)n1-c1ccccc1C ZINC001558863308 1189153463 /nfs/dbraw/zinc/15/34/63/1189153463.db2.gz ROIBAUAQQASONK-KRWDZBQOSA-N 0 0 314.429 3.149 20 10 DGCDRN Cc1ccc(O)c(CNc2cc(C)nc(-c3cccnc3)n2)c1 ZINC001559240670 1189185673 /nfs/dbraw/zinc/18/56/73/1189185673.db2.gz YMVJZBIGEGLPPM-UHFFFAOYSA-N 0 0 306.369 3.473 20 10 DGCDRN CNC(=O)[C@@H](Cc1ccccc1)Sc1ncc(Cl)s1 ZINC001559445540 1189206111 /nfs/dbraw/zinc/20/61/11/1189206111.db2.gz FKDNPKJYDRGGIZ-SNVBAGLBSA-N 0 0 312.847 3.246 20 10 DGCDRN COC(=O)c1cc(OCc2ccc(Cl)cn2)ccc1N(C)C ZINC001559456336 1189206724 /nfs/dbraw/zinc/20/67/24/1189206724.db2.gz AABRNFNAKKCJNE-UHFFFAOYSA-N 0 0 320.776 3.167 20 10 DGCDRN COC(=O)c1cc(OC/C(Cl)=C\Cl)ccc1N(C)C ZINC001559457011 1189206855 /nfs/dbraw/zinc/20/68/55/1189206855.db2.gz WRIXFMPZONYYPZ-VQHVLOKHSA-N 0 0 304.173 3.237 20 10 DGCDRN CC(=O)c1cc(F)cc(C[N@@H+]2CCCSC[C@@H]2C2CC2)c1[O-] ZINC001560188534 1189289080 /nfs/dbraw/zinc/28/90/80/1189289080.db2.gz OSFUXOOLTOQKCJ-MRXNPFEDSA-N 0 0 323.433 3.451 20 10 DGCDRN C[C@H](COc1cccc(F)c1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001560286372 1189305019 /nfs/dbraw/zinc/30/50/19/1189305019.db2.gz FVTMHBPLNKFRDL-SNVBAGLBSA-N 0 0 311.303 3.367 20 10 DGCDRN CN1CCN(c2ccc(CNc3ccccc3F)cc2F)CC1 ZINC001560376208 1189319991 /nfs/dbraw/zinc/31/99/91/1189319991.db2.gz WRSCCAOTBNDXPG-UHFFFAOYSA-N 0 0 317.383 3.329 20 10 DGCDRN CC[C@@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C ZINC001560373648 1189320108 /nfs/dbraw/zinc/32/01/08/1189320108.db2.gz BFRCOEWNXXTJFK-XZVRFQMRSA-N 0 0 318.461 3.476 20 10 DGCDRN Cc1nc2ccc(NC/C=C/c3ccc(N(C)C)cc3)cn2n1 ZINC001560514263 1189335090 /nfs/dbraw/zinc/33/50/90/1189335090.db2.gz NCTXFCTYUZGALQ-SNAWJCMRSA-N 0 0 307.401 3.229 20 10 DGCDRN CCCn1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c(C)n1 ZINC001560627011 1189351354 /nfs/dbraw/zinc/35/13/54/1189351354.db2.gz KZQLOBSVPKKJTI-UHFFFAOYSA-N 0 0 300.450 3.300 20 10 DGCDRN COc1ccc2c(c1)N(Cc1cc(F)cc(F)c1O)C[C@@H](C)O2 ZINC001560775728 1189380622 /nfs/dbraw/zinc/38/06/22/1189380622.db2.gz RYAOMSIIPFXZDQ-SNVBAGLBSA-N 0 0 321.323 3.467 20 10 DGCDRN COc1cc(CN(C)Cc2c(O)cc(C)cc2Cl)sn1 ZINC001561022470 1189422150 /nfs/dbraw/zinc/42/21/50/1189422150.db2.gz PYYMVYQWEDCLJG-UHFFFAOYSA-N 0 0 312.822 3.451 20 10 DGCDRN COC(=O)[C@H]1Cc2ccccc2N(Cc2ccc(C)cc2O)C1 ZINC001561023479 1189422378 /nfs/dbraw/zinc/42/23/78/1189422378.db2.gz QQRYBOXNXYBWMM-INIZCTEOSA-N 0 0 311.381 3.053 20 10 DGCDRN O=C(NCc1c(O)cccc1F)Nc1ccc2c(c1)CCC2 ZINC001562110724 1189473528 /nfs/dbraw/zinc/47/35/28/1189473528.db2.gz ZBPVERUNSJDBID-UHFFFAOYSA-N 0 0 300.333 3.342 20 10 DGCDRN Cc1cn2ccc(NC(=O)N(C)Cc3ccccc3O)cc2n1 ZINC001563096697 1189494250 /nfs/dbraw/zinc/49/42/50/1189494250.db2.gz NIRWBVWLQDWOQB-UHFFFAOYSA-N 0 0 310.357 3.012 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC(C)(C)C1CCC1 ZINC001564006605 1189545027 /nfs/dbraw/zinc/54/50/27/1189545027.db2.gz MGNQWUYJPFFIFL-UHFFFAOYSA-N 0 0 303.450 3.439 20 10 DGCDRN C[C@@H](NC(=O)N[C@H](C)c1ccccc1O)c1cccc(O)c1 ZINC001564551089 1189582655 /nfs/dbraw/zinc/58/26/55/1189582655.db2.gz GRTLNBDOIVUHOP-VXGBXAGGSA-N 0 0 300.358 3.219 20 10 DGCDRN CSc1ccc(CNC(=O)NCc2c(O)cccc2F)cc1 ZINC001564589077 1189585664 /nfs/dbraw/zinc/58/56/64/1189585664.db2.gz XHIIKYWHOOVROB-UHFFFAOYSA-N 0 0 320.389 3.253 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCc2c(F)cc(F)cc2F)c1 ZINC001565322517 1189637372 /nfs/dbraw/zinc/63/73/72/1189637372.db2.gz HIRXVGRPTIGBNQ-UHFFFAOYSA-N 0 0 324.302 3.117 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](O)C(C)(C)CC)cc1F ZINC001565687949 1189663759 /nfs/dbraw/zinc/66/37/59/1189663759.db2.gz DGHYBTNSOFBVEF-MRXNPFEDSA-N 0 0 324.440 3.085 20 10 DGCDRN CC(C)CC1(CNC(=O)Cc2ccc(O)c(O)c2)CCCC1 ZINC001566299670 1189761004 /nfs/dbraw/zinc/76/10/04/1189761004.db2.gz RQGBIEFAZILITK-UHFFFAOYSA-N 0 0 305.418 3.363 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)/C(C)=C/c2ccco2)c1 ZINC001566374914 1189765581 /nfs/dbraw/zinc/76/55/81/1189765581.db2.gz YKHWANBKXLIYCF-ZKQHCESOSA-N 0 0 301.342 3.275 20 10 DGCDRN O=C(c1ccccc1-c1cn[nH]c1)N1CCc2c1cccc2F ZINC001567365478 1190155047 /nfs/dbraw/zinc/15/50/47/1190155047.db2.gz VBGVLHNXNBFBRV-UHFFFAOYSA-N 0 0 307.328 3.419 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC001620757837 1191439997 /nfs/dbraw/zinc/43/99/97/1191439997.db2.gz ICELOGUWIVMDQJ-UHFFFAOYSA-N 0 0 315.323 3.146 20 10 DGCDRN C[C@H](CNC(=O)NCc1ccc(N)cc1)c1ccc(F)cc1F ZINC001576024945 1191523717 /nfs/dbraw/zinc/52/37/17/1191523717.db2.gz WKEGYUFSAPFKGI-LLVKDONJSA-N 0 0 319.355 3.150 20 10 DGCDRN CCOC(=O)[C@@H]1C[C@H]1CN(C)c1ccc(-c2nccs2)cc1 ZINC001618414302 1193738132 /nfs/dbraw/zinc/73/81/32/1193738132.db2.gz AVYDPEAWVBQWAK-DZGCQCFKSA-N 0 0 316.426 3.446 20 10 DGCDRN C[C@H]([NH2+]CCC(=O)Nc1cc(F)cc(F)c1)c1ccccc1O ZINC001620504935 1193773043 /nfs/dbraw/zinc/77/30/43/1193773043.db2.gz HTUZEZLTMDQTBJ-NSHDSACASA-N 0 0 320.339 3.350 20 10 DGCDRN CCc1ccc([C@@H]2COCCN2Cc2ccc(C)cc2O)o1 ZINC001621131955 1193807408 /nfs/dbraw/zinc/80/74/08/1193807408.db2.gz LFAQVLNDULPAGR-INIZCTEOSA-N 0 0 301.386 3.430 20 10 DGCDRN CC(C)n1ncc2c1[C@H]([NH2+]Cc1cccc(F)c1[O-])CCC2 ZINC001621226769 1193818621 /nfs/dbraw/zinc/81/86/21/1193818621.db2.gz CKIBQHZPNUBMAG-OAHLLOKOSA-N 0 0 303.381 3.476 20 10 DGCDRN CCOC(=O)COc1cccc(NCc2cc(F)ccc2O)c1 ZINC001621239208 1193822072 /nfs/dbraw/zinc/82/20/72/1193822072.db2.gz OGWRKENJKGJGTL-UHFFFAOYSA-N 0 0 319.332 3.085 20 10 DGCDRN CCN(CC)c1ccc(CNS(=O)(=O)CC2(C)CCC2)cc1 ZINC001621667668 1193865672 /nfs/dbraw/zinc/86/56/72/1193865672.db2.gz SQFNLOPSLLDNJJ-UHFFFAOYSA-N 0 0 324.490 3.142 20 10 DGCDRN CCCOCCOC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001621673925 1193865688 /nfs/dbraw/zinc/86/56/88/1193865688.db2.gz IVEPCFPBHSUGOD-UHFFFAOYSA-N 0 0 320.433 3.280 20 10 DGCDRN Cc1cc(CNC(=O)O[C@H]2CCOC2)c(C)n1-c1ccccc1 ZINC001622440696 1193900987 /nfs/dbraw/zinc/90/09/87/1193900987.db2.gz FRMOAVDHHZRVAX-KRWDZBQOSA-N 0 0 314.385 3.109 20 10 DGCDRN O=C(CCCc1c(F)cccc1F)NCc1ccccc1O ZINC001622772809 1193911483 /nfs/dbraw/zinc/91/14/83/1193911483.db2.gz INZJBCWEDSGMGY-UHFFFAOYSA-N 0 0 305.324 3.310 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cnc3ccccc3c2)c1 ZINC001622779726 1193912077 /nfs/dbraw/zinc/91/20/77/1193912077.db2.gz UDZMQVCZFDUNKN-LBPRGKRZSA-N 0 0 322.364 3.440 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC001623755844 1193959316 /nfs/dbraw/zinc/95/93/16/1193959316.db2.gz YOLLCSQNANTOMK-AWEZNQCLSA-N 0 0 317.772 3.267 20 10 DGCDRN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC001623954422 1193973516 /nfs/dbraw/zinc/97/35/16/1193973516.db2.gz MQUPBJBTOXTOHN-SNVBAGLBSA-N 0 0 301.302 3.183 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NCc2ccc(F)cc2F)cc1 ZINC001624250155 1193988923 /nfs/dbraw/zinc/98/89/23/1193988923.db2.gz SPIYQRCAZNMTOL-UHFFFAOYSA-N 0 0 318.283 3.057 20 10 DGCDRN CCCN(Cc1ccc(F)cc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001624290211 1193991462 /nfs/dbraw/zinc/99/14/62/1193991462.db2.gz YZBQSOMANPKJJL-UHFFFAOYSA-N 0 0 317.360 3.218 20 10 DGCDRN CCO[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCCC1 ZINC001624480248 1193999287 /nfs/dbraw/zinc/99/92/87/1193999287.db2.gz TXZNPGAXHJNTQS-SFHVURJKSA-N 0 0 318.461 3.306 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cc(C)ccc2O)cc1 ZINC001625014668 1194027414 /nfs/dbraw/zinc/02/74/14/1194027414.db2.gz QZIQCJWSOAJLJM-UHFFFAOYSA-N 0 0 312.413 3.477 20 10 DGCDRN C[C@H](CC(=O)NCc1ccc(O)cc1O)c1ccc(F)cc1 ZINC001626838284 1194098107 /nfs/dbraw/zinc/09/81/07/1194098107.db2.gz VGMLSNRVEXGACB-LLVKDONJSA-N 0 0 303.333 3.047 20 10 DGCDRN CCCCC[C@H](O)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC001627604528 1194136175 /nfs/dbraw/zinc/13/61/75/1194136175.db2.gz LGHROOIXPMSLGH-KRWDZBQOSA-N 0 0 324.440 3.229 20 10 DGCDRN COC[C@@H](CC(C)(C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001627751862 1194142275 /nfs/dbraw/zinc/14/22/75/1194142275.db2.gz MUSXTIPSUNRYTF-CYBMUJFWSA-N 0 0 320.393 3.030 20 10 DGCDRN CN(Cc1ccc(Cl)s1)C(=O)Cc1ccc(O)c(O)c1 ZINC001628155447 1194163926 /nfs/dbraw/zinc/16/39/26/1194163926.db2.gz PSIZDKBGRSWKML-UHFFFAOYSA-N 0 0 311.790 3.014 20 10 DGCDRN C=Cc1ccc(CCNC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001628223493 1194167393 /nfs/dbraw/zinc/16/73/93/1194167393.db2.gz VJUQCNXIYIOYFK-UHFFFAOYSA-N 0 0 322.368 3.465 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)Nc1ccccc1OCC1CC1 ZINC001628372375 1194174938 /nfs/dbraw/zinc/17/49/38/1194174938.db2.gz FOGQYHRXNYOMQS-UHFFFAOYSA-N 0 0 313.353 3.068 20 10 DGCDRN Cc1ncc(/C=C/C(=O)NCc2cc(Cl)ccc2O)s1 ZINC001628680562 1194191530 /nfs/dbraw/zinc/19/15/30/1194191530.db2.gz MXOUUIHTHFSJHD-HWKANZROSA-N 0 0 308.790 3.140 20 10 DGCDRN O=C(N[C@@H]1CCCc2c(F)cc(F)cc21)c1cccc(O)c1O ZINC001628708449 1194192689 /nfs/dbraw/zinc/19/26/89/1194192689.db2.gz IFTNKXNZZUNKNN-CQSZACIVSA-N 0 0 319.307 3.183 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@H](C)Oc2ccc(F)c(F)c2)c1 ZINC001629736541 1194250254 /nfs/dbraw/zinc/25/02/54/1194250254.db2.gz JAHOOKWZPLGREK-NSHDSACASA-N 0 0 321.323 3.063 20 10 DGCDRN CC1(C)CCC[C@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC001630021401 1194265622 /nfs/dbraw/zinc/26/56/22/1194265622.db2.gz DFTLZOXJMIQQSA-QPBFKRLHSA-N 0 0 303.402 3.444 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1ccc(-c2cccs2)o1 ZINC001630273948 1194278238 /nfs/dbraw/zinc/27/82/38/1194278238.db2.gz YQGIFLGDFIACHL-UHFFFAOYSA-N 0 0 315.350 3.349 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)c1ccc(F)c(F)c1 ZINC001630525996 1194290422 /nfs/dbraw/zinc/29/04/22/1194290422.db2.gz AGNFHNPUDWNXCH-UHFFFAOYSA-N 0 0 314.291 3.149 20 10 DGCDRN COCn1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cn1 ZINC001630667233 1194296552 /nfs/dbraw/zinc/29/65/52/1194296552.db2.gz CMNNZXDGXCMSEA-UHFFFAOYSA-N 0 0 324.384 3.147 20 10 DGCDRN CCOc1c(Cl)cccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001631147010 1194321897 /nfs/dbraw/zinc/32/18/97/1194321897.db2.gz DMNPOEIVZJQSIY-UHFFFAOYSA-N 0 0 321.760 3.331 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1cscc1C(F)(F)F ZINC001631439016 1194334942 /nfs/dbraw/zinc/33/49/42/1194334942.db2.gz RXOBCBIUOGYCJD-UHFFFAOYSA-N 0 0 317.288 3.108 20 10 DGCDRN Cc1cc(CNC(=O)c2[nH]cnc2C)c(C)n1-c1ccccc1 ZINC001631793842 1194355656 /nfs/dbraw/zinc/35/56/56/1194355656.db2.gz IPVKHAAUCASGTC-UHFFFAOYSA-N 0 0 308.385 3.056 20 10 DGCDRN CCC[C@H](CCO)NC(=O)c1sccc1-n1c(C)ccc1C ZINC001632111111 1194372394 /nfs/dbraw/zinc/37/23/94/1194372394.db2.gz QWWPTKQKVWMEOF-CQSZACIVSA-N 0 0 320.458 3.437 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1ccc([N+](=O)[O-])cc1F ZINC001632223860 1194377861 /nfs/dbraw/zinc/37/78/61/1194377861.db2.gz PNFBNNHHHTUUCX-UHFFFAOYSA-N 0 0 324.695 3.023 20 10 DGCDRN Cc1cccc(C)c1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001632429185 1194388262 /nfs/dbraw/zinc/38/82/62/1194388262.db2.gz JECCNGUMCKMFKX-UHFFFAOYSA-N 0 0 310.357 3.396 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cscc1Cl ZINC001632681707 1194402284 /nfs/dbraw/zinc/40/22/84/1194402284.db2.gz UXUCVDYKUGFEBC-QMMMGPOBSA-N 0 0 311.790 3.174 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccc(F)c3ccncc23)c1 ZINC001633287083 1194430108 /nfs/dbraw/zinc/43/01/08/1194430108.db2.gz VMHFLMPDBSQJGT-UHFFFAOYSA-N 0 0 310.328 3.318 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1[nH]ccc1-c1ccccc1 ZINC001633599139 1194444855 /nfs/dbraw/zinc/44/48/55/1194444855.db2.gz PVBMIVNOJFGOKW-UHFFFAOYSA-N 0 0 308.337 3.023 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001633598854 1194444890 /nfs/dbraw/zinc/44/48/90/1194444890.db2.gz DRIWBXNQLJPNFE-NEPJUHHUSA-N 0 0 317.307 3.083 20 10 DGCDRN CO[C@@]1(C)C[C@H]1NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC001633603795 1194445024 /nfs/dbraw/zinc/44/50/24/1194445024.db2.gz JCWRUVWHYPFYCP-AEFFLSMTSA-N 0 0 316.376 3.140 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)[C@H](C)C(C)(C)C ZINC001633817803 1194457226 /nfs/dbraw/zinc/45/72/26/1194457226.db2.gz BAIZIOLPABGBRV-UPJWGTAASA-N 0 0 307.434 3.463 20 10 DGCDRN CN(C(=O)/C=C\c1ccc(O)c(O)c1)c1cccc2c1CCCN2 ZINC001634531018 1194499242 /nfs/dbraw/zinc/49/92/42/1194499242.db2.gz DOVQILGEMPMGNK-NTMALXAHSA-N 0 0 324.380 3.132 20 10 DGCDRN CC[C@H](C)c1ncc(NC(=O)/C=C\c2ccc(O)c(O)c2)cn1 ZINC001635030334 1194529059 /nfs/dbraw/zinc/52/90/59/1194529059.db2.gz SOJWHXVSXCLDTI-XOIDGJRKSA-N 0 0 313.357 3.053 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)N[C@H]1CC2CCC1CC2 ZINC001635526124 1194556499 /nfs/dbraw/zinc/55/64/99/1194556499.db2.gz KFDBMDWJNAPXSM-MGULZYLOSA-N 0 0 308.809 3.424 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cc(C(F)(F)F)ccn1 ZINC001635658217 1194564922 /nfs/dbraw/zinc/56/49/22/1194564922.db2.gz LDFOVUNCOFATKD-UHFFFAOYSA-N 0 0 310.275 3.078 20 10 DGCDRN COc1cc(F)c(C(=O)N[C@@H](C)c2ccccc2O)c(F)c1 ZINC001635803203 1194573316 /nfs/dbraw/zinc/57/33/16/1194573316.db2.gz AXDQHQDSQWZSOT-VIFPVBQESA-N 0 0 307.296 3.170 20 10 DGCDRN C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCc1c(O)ccc2ccccc21 ZINC001635965316 1194582422 /nfs/dbraw/zinc/58/24/22/1194582422.db2.gz VNASLQHOCCZDOT-DOMZBBRYSA-N 0 0 311.381 3.167 20 10 DGCDRN O=Cc1ccc(F)c(C(=O)NCc2c(O)ccc3ccccc32)c1 ZINC001635969646 1194583132 /nfs/dbraw/zinc/58/31/32/1194583132.db2.gz VFPLBPQPQRZAKI-UHFFFAOYSA-N 0 0 323.323 3.427 20 10 DGCDRN Cc1cc(C(=O)NC2CC(=O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC001636247499 1194602140 /nfs/dbraw/zinc/60/21/40/1194602140.db2.gz MLAWPQVFJJTAEX-UHFFFAOYSA-N 0 0 316.788 3.209 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2ccc3c(c2)COC3)cc1 ZINC001636320242 1194606599 /nfs/dbraw/zinc/60/65/99/1194606599.db2.gz IDMHMQZTAXJYPT-UHFFFAOYSA-N 0 0 310.313 3.132 20 10 DGCDRN C[C@H](Oc1ccccc1)C(=O)NCc1cccc(Cl)c1O ZINC001637226980 1194658068 /nfs/dbraw/zinc/65/80/68/1194658068.db2.gz HWZQZWAEQWAETK-NSHDSACASA-N 0 0 305.761 3.129 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H](C)[C@]23C[C@H]2CCCC3)c1 ZINC001637638439 1194679460 /nfs/dbraw/zinc/67/94/60/1194679460.db2.gz JJLFBJNZPIYTOE-SIIHOXLZSA-N 0 0 302.418 3.469 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)[C@H]1CCC=CO1 ZINC001638269436 1194710237 /nfs/dbraw/zinc/71/02/37/1194710237.db2.gz XUFYIAOTDCRZEQ-CQSZACIVSA-N 0 0 320.352 3.028 20 10 DGCDRN O=C(Cc1c(F)cccc1Cl)NCc1c(O)cccc1F ZINC001638858581 1194741332 /nfs/dbraw/zinc/74/13/32/1194741332.db2.gz WYAWMFHMAZCUSC-UHFFFAOYSA-N 0 0 311.715 3.183 20 10 DGCDRN Cc1cccc2[nH]cc(CC(=O)NCc3c(O)cccc3F)c21 ZINC001638864080 1194741360 /nfs/dbraw/zinc/74/13/60/1194741360.db2.gz UJLOWAJSSPCYGJ-UHFFFAOYSA-N 0 0 312.344 3.180 20 10 DGCDRN COc1ccc(/C(C)=C\C(=O)NCc2c(O)cccc2F)cc1 ZINC001638862603 1194741592 /nfs/dbraw/zinc/74/15/92/1194741592.db2.gz CRWREFDJXCVMQR-BENRWUELSA-N 0 0 315.344 3.260 20 10 DGCDRN Cc1noc(C(F)F)c1C(=O)NCc1cc(Cl)ccc1O ZINC001639965835 1194789342 /nfs/dbraw/zinc/78/93/42/1194789342.db2.gz QQYNZHWKZWWXES-UHFFFAOYSA-N 0 0 316.691 3.210 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N[C@H](c2ccncc2)C2CC2)cc1 ZINC001640204154 1194801203 /nfs/dbraw/zinc/80/12/03/1194801203.db2.gz QGTXICQYGHPYMO-HNNXBMFYSA-N 0 0 323.356 3.125 20 10 DGCDRN CCc1ccc(OCC(=O)NCc2cccc(Cl)c2O)cc1 ZINC001640402358 1194811171 /nfs/dbraw/zinc/81/11/71/1194811171.db2.gz RDPNXRLEHQYCSY-UHFFFAOYSA-N 0 0 319.788 3.303 20 10 DGCDRN CN(C)c1ccc(C(=O)NCc2cccc(Cl)c2O)cc1 ZINC001640402638 1194811349 /nfs/dbraw/zinc/81/13/49/1194811349.db2.gz XEIJGVFQZQDDEI-UHFFFAOYSA-N 0 0 304.777 3.042 20 10 DGCDRN COc1cnc2ccccc2c1C(=O)NCc1cc(C)ccc1O ZINC001640796409 1194827997 /nfs/dbraw/zinc/82/79/97/1194827997.db2.gz CVIYURVFOWMIOW-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN Cc1cc(C(=O)NCc2cc(C)ccc2O)oc1Br ZINC001640800510 1194828495 /nfs/dbraw/zinc/82/84/95/1194828495.db2.gz PKIRZJOQYCWNJE-UHFFFAOYSA-N 0 0 324.174 3.295 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccc(C)c3cccnc23)c1 ZINC001640800922 1194828685 /nfs/dbraw/zinc/82/86/85/1194828685.db2.gz XXBWZUULNCJQKW-UHFFFAOYSA-N 0 0 306.365 3.487 20 10 DGCDRN CC(=O)c1cc(C(=O)NCc2cc(Cl)ccc2O)ccc1C ZINC001640919819 1194832902 /nfs/dbraw/zinc/83/29/02/1194832902.db2.gz BRRNQPORTFYACJ-UHFFFAOYSA-N 0 0 317.772 3.487 20 10 DGCDRN Cc1cc(C(=O)NCc2cc(Cl)ccc2O)cc([N+](=O)[O-])c1 ZINC001640920748 1194833000 /nfs/dbraw/zinc/83/30/00/1194833000.db2.gz VGOYZLSWQLBVKU-UHFFFAOYSA-N 0 0 320.732 3.192 20 10 DGCDRN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)C1=CC(=O)CS1 ZINC001641089799 1194839126 /nfs/dbraw/zinc/83/91/26/1194839126.db2.gz WWPYIDQZGFRKFO-UHFFFAOYSA-N 0 0 321.358 3.435 20 10 DGCDRN CCN(CC(C)=O)C(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC001641389115 1194851123 /nfs/dbraw/zinc/85/11/23/1194851123.db2.gz YSSMRRSRVMUESU-UHFFFAOYSA-N 0 0 312.413 3.454 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1 ZINC001641733313 1194868829 /nfs/dbraw/zinc/86/88/29/1194868829.db2.gz QQIPYFIHPCDYFL-UHFFFAOYSA-N 0 0 320.732 3.192 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccc(OC(F)F)cc2)c1 ZINC001641729067 1194869095 /nfs/dbraw/zinc/86/90/95/1194869095.db2.gz KDWFQKMUOVUYJH-UHFFFAOYSA-N 0 0 307.296 3.232 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001642660641 1194927317 /nfs/dbraw/zinc/92/73/17/1194927317.db2.gz IKDKQGNSDRROQR-HZPDHXFCSA-N 0 0 311.381 3.093 20 10 DGCDRN CC(C)Oc1ccc(N(C)CCc2ccc(C(N)=O)cc2)cc1 ZINC001642710450 1194931757 /nfs/dbraw/zinc/93/17/57/1194931757.db2.gz MQKJPICXZXWAIW-UHFFFAOYSA-N 0 0 312.413 3.252 20 10 DGCDRN Cc1onc(-c2ccncc2)c1C(=O)N[C@H](C)c1ccccc1O ZINC001642824456 1194943747 /nfs/dbraw/zinc/94/37/47/1194943747.db2.gz VVDLXPHUVUAKGK-LLVKDONJSA-N 0 0 323.352 3.242 20 10 DGCDRN C[C@H](NC(=O)c1cc(C(F)(F)F)ccn1)c1ccccc1O ZINC001642830490 1194944223 /nfs/dbraw/zinc/94/42/23/1194944223.db2.gz FEYJKQNUIBGOGN-VIFPVBQESA-N 0 0 310.275 3.297 20 10 DGCDRN C[C@H](NC(=O)Cc1ccc2cnccc2c1)c1ccccc1O ZINC001642831322 1194944581 /nfs/dbraw/zinc/94/45/81/1194944581.db2.gz WUYCBSCNFJVXPI-ZDUSSCGKSA-N 0 0 306.365 3.360 20 10 DGCDRN Cc1cccc2c1CCN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001643118578 1194996513 /nfs/dbraw/zinc/99/65/13/1194996513.db2.gz OLCXAFIVHPEFFV-UHFFFAOYSA-N 0 0 308.341 3.360 20 10 DGCDRN COc1ccc(CN[C@@](C)(c2noc(C)n2)C2CC2)cc1C ZINC001643213155 1195004900 /nfs/dbraw/zinc/00/49/00/1195004900.db2.gz RCYIORPIFKWWBG-QGZVFWFLSA-N 0 0 301.390 3.110 20 10 DGCDRN CCn1cnc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)c1 ZINC001643369800 1195018426 /nfs/dbraw/zinc/01/84/26/1195018426.db2.gz HJHJLGLDSWTQMN-UHFFFAOYSA-N 0 0 322.412 3.241 20 10 DGCDRN CN(C)c1ccc(CN2CCOc3c(F)c(F)ccc32)cc1 ZINC001643450370 1195025676 /nfs/dbraw/zinc/02/56/76/1195025676.db2.gz TVFWZQKWBZWIJO-UHFFFAOYSA-N 0 0 304.340 3.430 20 10 DGCDRN C[C@H](NC(=O)CCc1nc2ccccc2o1)c1ccccc1O ZINC001643741899 1195051568 /nfs/dbraw/zinc/05/15/68/1195051568.db2.gz FFJSOZPVZPXQHD-LBPRGKRZSA-N 0 0 310.353 3.343 20 10 DGCDRN CCc1ccc([C@H](C)CC(=O)NCc2cc(O)ccc2O)cc1 ZINC001643881920 1195060377 /nfs/dbraw/zinc/06/03/77/1195060377.db2.gz KOSNHEZXXWOBEV-CYBMUJFWSA-N 0 0 313.397 3.470 20 10 DGCDRN CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NCc1cc(O)ccc1O ZINC001643882188 1195060390 /nfs/dbraw/zinc/06/03/90/1195060390.db2.gz PVAYOMBIWUOXHI-PVUWLOKVSA-N 0 0 321.417 3.088 20 10 DGCDRN COC(=O)c1cnc(SCc2ccc(OC(C)=O)cc2)s1 ZINC001643951729 1195067284 /nfs/dbraw/zinc/06/72/84/1195067284.db2.gz FWWPQHJBIBVRSB-UHFFFAOYSA-N 0 0 323.395 3.147 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC001644754025 1195132241 /nfs/dbraw/zinc/13/22/41/1195132241.db2.gz OIAUGLWDCTVLOT-FXAWDEMLSA-N 0 0 323.392 3.008 20 10 DGCDRN COc1ccc(N(CCc2ccccc2)CC2OCCO2)cc1 ZINC001644866172 1195138818 /nfs/dbraw/zinc/13/88/18/1195138818.db2.gz YXZFJTUYSPTFDD-UHFFFAOYSA-N 0 0 313.397 3.117 20 10 DGCDRN CSC1(C(=O)NCc2c(O)ccc3ccccc32)CCC1 ZINC001645441175 1195184494 /nfs/dbraw/zinc/18/44/94/1195184494.db2.gz VICUWMZITJDKRO-UHFFFAOYSA-N 0 0 301.411 3.447 20 10 DGCDRN Cc1ccc(C(=O)N2C[C@@H](C3CC3)C[C@H]2C2CC2)c(O)c1O ZINC001645823318 1195203724 /nfs/dbraw/zinc/20/37/24/1195203724.db2.gz COGYIPACYDZJIE-ZFWWWQNUSA-N 0 0 301.386 3.057 20 10 DGCDRN COc1cc2c(c(OC)c1)N(Cc1ccc(OC)nc1)CCC2 ZINC001646199018 1195216494 /nfs/dbraw/zinc/21/64/94/1195216494.db2.gz ZSXKSWQCNLXTDB-UHFFFAOYSA-N 0 0 314.385 3.060 20 10 DGCDRN C/C(=C\C(=O)NCc1c(O)cccc1O)c1ccccc1Cl ZINC001647269524 1195247041 /nfs/dbraw/zinc/24/70/41/1195247041.db2.gz GJZRVRJLXRNTRN-PKNBQFBNSA-N 0 0 317.772 3.471 20 10 DGCDRN COc1ccc(NC(=O)Cc2ccc(O)c(O)c2)c2ccccc12 ZINC001648403800 1195298414 /nfs/dbraw/zinc/29/84/14/1195298414.db2.gz YCXMGMDMSFLNBB-UHFFFAOYSA-N 0 0 323.348 3.441 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1ncc(Cl)s1 ZINC001648609101 1195313006 /nfs/dbraw/zinc/31/30/06/1195313006.db2.gz RMFRVYSAXIKJPB-UHFFFAOYSA-N 0 0 303.170 3.086 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1nc(Cl)ccc1F ZINC001648606242 1195313373 /nfs/dbraw/zinc/31/33/73/1195313373.db2.gz LICANZZKCGEUQU-UHFFFAOYSA-N 0 0 315.131 3.163 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1c[nH]cc1-c1ccccc1 ZINC001651173212 1195422993 /nfs/dbraw/zinc/42/29/93/1195422993.db2.gz UMBHTTDIGOZTRU-UHFFFAOYSA-N 0 0 308.337 3.023 20 10 DGCDRN CCN(CC)c1ccc(CNc2ncccc2CO)cc1F ZINC001651432938 1195460754 /nfs/dbraw/zinc/46/07/54/1195460754.db2.gz LODMHOUQCRRMOB-UHFFFAOYSA-N 0 0 303.381 3.171 20 10 DGCDRN Cc1cc(O)c(CN2CC(=O)N(C(C)C)C(C)(C)C2)c(Cl)c1 ZINC001651722739 1195501264 /nfs/dbraw/zinc/50/12/64/1195501264.db2.gz LRSBKHPTRULNSB-UHFFFAOYSA-N 0 0 324.852 3.185 20 10 DGCDRN C[C@H]1C[NH+](Cc2ccc(Br)cc2O)C[C@H](C)S1 ZINC001651827549 1195514232 /nfs/dbraw/zinc/51/42/32/1195514232.db2.gz DWTRZQXVJITXAI-UWVGGRQHSA-N 0 0 316.264 3.481 20 10 DGCDRN CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)c(F)cc2[O-])C12CCC2 ZINC001651894751 1195520569 /nfs/dbraw/zinc/52/05/69/1195520569.db2.gz UGUAOANDSAFFPA-CVEARBPZSA-N 0 0 311.372 3.450 20 10 DGCDRN COc1cc(C)cc(CNc2cccc(-c3nnco3)c2)c1O ZINC001651997261 1195534432 /nfs/dbraw/zinc/53/44/32/1195534432.db2.gz ILJZDGJGBULEQA-UHFFFAOYSA-N 0 0 311.341 3.371 20 10 DGCDRN Cc1ccccc1OCC[N@@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001652067023 1195543841 /nfs/dbraw/zinc/54/38/41/1195543841.db2.gz RJFUUIYHVNBDQH-UHFFFAOYSA-N 0 0 307.340 3.490 20 10 DGCDRN Cc1cc2nc(NCc3c(O)cccc3O)c3ccccc3n2n1 ZINC001652267233 1195573201 /nfs/dbraw/zinc/57/32/01/1195573201.db2.gz KUXZYOZYPWPZAB-UHFFFAOYSA-N 0 0 320.352 3.214 20 10 DGCDRN CC1(C)COc2c1cccc2C(=O)NCc1c(O)cccc1F ZINC001652298998 1195577813 /nfs/dbraw/zinc/57/78/13/1195577813.db2.gz XWNIYZQNMIDLDE-UHFFFAOYSA-N 0 0 315.344 3.131 20 10 DGCDRN CN(C)c1cc(F)c(CN2CCO[C@H](C(C)(C)C)C2)cc1F ZINC001652354916 1195587438 /nfs/dbraw/zinc/58/74/38/1195587438.db2.gz HOHUSKBHQQLMKH-INIZCTEOSA-N 0 0 312.404 3.278 20 10 DGCDRN Cc1ccc(CN2CCOC[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC001652480446 1195603806 /nfs/dbraw/zinc/60/38/06/1195603806.db2.gz ATGFAYHORNIRCG-QGZVFWFLSA-N 0 0 301.361 3.413 20 10 DGCDRN C[C@@H](CC(=O)NCc1c(O)ccc2ccccc21)[C@H]1CCCO1 ZINC001652709055 1195639598 /nfs/dbraw/zinc/63/95/98/1195639598.db2.gz TZRJJHWNDAHEEA-SCLBCKFNSA-N 0 0 313.397 3.367 20 10 DGCDRN CCCOc1ccc(CN[C@@H](C)C(=O)OCC(C)C)cc1C ZINC001652989711 1195678297 /nfs/dbraw/zinc/67/82/97/1195678297.db2.gz QYVWQGJCLQUWOL-HNNXBMFYSA-N 0 0 307.434 3.461 20 10 DGCDRN Cc1ccccc1-n1nccc1CN1Cc2cccc(O)c2C1 ZINC001653000587 1195678937 /nfs/dbraw/zinc/67/89/37/1195678937.db2.gz TYSLCTQWWSLQGP-UHFFFAOYSA-N 0 0 305.381 3.402 20 10 DGCDRN CN1C(=O)COc2cccc(NCc3cccc(Cl)c3O)c21 ZINC001653012844 1195679937 /nfs/dbraw/zinc/67/99/37/1195679937.db2.gz PBOSBKBPNQLFDA-UHFFFAOYSA-N 0 0 318.760 3.013 20 10 DGCDRN Nc1ccc(Cl)cc1C(=O)NCc1cccc(Cl)c1O ZINC001653566850 1195735497 /nfs/dbraw/zinc/73/54/97/1195735497.db2.gz CIYGQUNBOPIJNK-UHFFFAOYSA-N 0 0 311.168 3.211 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)C(F)(F)c1ccccc1 ZINC001653567137 1195735521 /nfs/dbraw/zinc/73/55/21/1195735521.db2.gz LZZMSYPQITVFKN-UHFFFAOYSA-N 0 0 311.715 3.454 20 10 DGCDRN COc1ccc(N(C)CCN(C)CC=C(Cl)Cl)cc1 ZINC001654113872 1195776384 /nfs/dbraw/zinc/77/63/84/1195776384.db2.gz BKUOGCRCVAAKFW-UHFFFAOYSA-N 0 0 303.233 3.382 20 10 DGCDRN O=C(c1c(F)ccc(O)c1O)N1CCC[C@H](C2CCC2)CC1 ZINC001654783265 1195840258 /nfs/dbraw/zinc/84/02/58/1195840258.db2.gz MIRMZSHRXVOIJC-LBPRGKRZSA-N 0 0 307.365 3.279 20 10 DGCDRN CCCCN(Cc1ccccc1O)c1cc(C)nc(OC)n1 ZINC001655417089 1195914544 /nfs/dbraw/zinc/91/45/44/1195914544.db2.gz GBXZPZMSTLPXGJ-UHFFFAOYSA-N 0 0 301.390 3.306 20 10 DGCDRN C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1cccc(F)c1 ZINC001655546054 1195929988 /nfs/dbraw/zinc/92/99/88/1195929988.db2.gz MZJCLHSCBPZZTA-LLVKDONJSA-N 0 0 304.321 3.333 20 10 DGCDRN O=[N+]([O-])c1c(NCc2cc(O)ccc2O)ccc2cnccc21 ZINC001655814824 1195966028 /nfs/dbraw/zinc/96/60/28/1195966028.db2.gz IKQDQQNYUZGFTN-UHFFFAOYSA-N 0 0 311.297 3.166 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C1CCN(CC(F)F)CC1 ZINC001656248820 1196023064 /nfs/dbraw/zinc/02/30/64/1196023064.db2.gz LHRSXMJJSGCMQS-UHFFFAOYSA-N 0 0 322.758 3.004 20 10 DGCDRN Cn1nnc2cc(NCc3c(O)ccc(Cl)c3F)ccc21 ZINC001656513214 1196046232 /nfs/dbraw/zinc/04/62/32/1196046232.db2.gz HOPUVGTVFIGVTE-UHFFFAOYSA-N 0 0 306.728 3.079 20 10 DGCDRN CCCNC(=O)c1cccc(NCc2cc(F)cc(F)c2O)c1 ZINC001656816927 1196073280 /nfs/dbraw/zinc/07/32/80/1196073280.db2.gz WBPFWQYUWYRYGB-UHFFFAOYSA-N 0 0 320.339 3.422 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CSCC2CCCC2)cc1 ZINC001656941069 1196084962 /nfs/dbraw/zinc/08/49/62/1196084962.db2.gz RVQWCVVFTALQHC-UHFFFAOYSA-N 0 0 306.475 3.292 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC001657055990 1196097866 /nfs/dbraw/zinc/09/78/66/1196097866.db2.gz JONOUSYQXBDDBM-HZMBPMFUSA-N 0 0 301.789 3.216 20 10 DGCDRN C[C@@H](NC(=O)Nc1cccc(-n2cccn2)c1)c1ccccc1O ZINC001657510824 1196149899 /nfs/dbraw/zinc/14/98/99/1196149899.db2.gz PPFRGAOSJIJAEH-CYBMUJFWSA-N 0 0 322.368 3.461 20 10 DGCDRN Cc1nc2ccc(NCc3cc(Cl)cc(F)c3O)cn2n1 ZINC001657577926 1196157171 /nfs/dbraw/zinc/15/71/71/1196157171.db2.gz SICWOGBECPYZOI-UHFFFAOYSA-N 0 0 306.728 3.148 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1c(C)noc1C ZINC001657594498 1196158074 /nfs/dbraw/zinc/15/80/74/1196158074.db2.gz WFIAAAWGFSDERQ-CYBMUJFWSA-N 0 0 305.334 3.146 20 10 DGCDRN CCOC(=O)[C@H](CC)N(Cc1ccc(N(C)C)cc1C)C1CC1 ZINC001657824831 1196182000 /nfs/dbraw/zinc/18/20/00/1196182000.db2.gz SQGCSDIFPREUOS-SFHVURJKSA-N 0 0 318.461 3.367 20 10 DGCDRN COC(=O)[C@@H]1C[C@@H](C)CCN1Cc1cc(Cl)c(C)cc1O ZINC001657860223 1196187462 /nfs/dbraw/zinc/18/74/62/1196187462.db2.gz NIQLDBJPQURTRI-HZMBPMFUSA-N 0 0 311.809 3.128 20 10 DGCDRN COC(=O)[C@@H]1C[C@H](C)CCN1C/C=C\c1ccc(N(C)C)cc1 ZINC001657859372 1196187496 /nfs/dbraw/zinc/18/74/96/1196187496.db2.gz ASGUKLQPTBOAAT-XSRQRWQSSA-N 0 0 316.445 3.039 20 10 DGCDRN COC(=O)[C@@H]1C[C@@H](C)CCN1C/C=C/c1ccc(N(C)C)cc1 ZINC001657859371 1196187806 /nfs/dbraw/zinc/18/78/06/1196187806.db2.gz ASGUKLQPTBOAAT-PWSDSBMBSA-N 0 0 316.445 3.039 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H](CO)CC1CCCC1 ZINC001657904345 1196192146 /nfs/dbraw/zinc/19/21/46/1196192146.db2.gz CODPXKCQAUPHOH-GFCCVEGCSA-N 0 0 301.789 3.216 20 10 DGCDRN C/C=C/C[C@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)OCC ZINC001657997668 1196200180 /nfs/dbraw/zinc/20/01/80/1196200180.db2.gz YAMIJKTYDIMBRB-IMOOWVNSSA-N 0 0 316.445 3.253 20 10 DGCDRN C/C=C/C[C@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)OCC ZINC001657997669 1196200782 /nfs/dbraw/zinc/20/07/82/1196200782.db2.gz YAMIJKTYDIMBRB-JHGWCVEUSA-N 0 0 316.445 3.253 20 10 DGCDRN COc1cc(CN2CCOc3cc(N(C)C)ccc32)ccc1C ZINC001658083300 1196210047 /nfs/dbraw/zinc/21/00/47/1196210047.db2.gz WNBNOWMUKWHVLU-UHFFFAOYSA-N 0 0 312.413 3.469 20 10 DGCDRN CCCN(CC(=O)OC)Cc1ccc(N2CCCCC2)c(C)c1 ZINC001658284041 1196235198 /nfs/dbraw/zinc/23/51/98/1196235198.db2.gz RDOPXVJNUCJECA-UHFFFAOYSA-N 0 0 318.461 3.370 20 10 DGCDRN CN1Cc2c(cccc2NCc2cc(Cl)c(F)cc2O)C1=O ZINC001658330583 1196243003 /nfs/dbraw/zinc/24/30/03/1196243003.db2.gz PNXHJWUATNVGQI-UHFFFAOYSA-N 0 0 320.751 3.382 20 10 DGCDRN Oc1cc(Cl)ccc1CN1CCO[C@@H](CC(F)(F)F)C1 ZINC001658598286 1196278317 /nfs/dbraw/zinc/27/83/17/1196278317.db2.gz FPJVNPAGVIARCR-NSHDSACASA-N 0 0 309.715 3.199 20 10 DGCDRN COC[C@H](C[NH2+]Cc1c(O)cccc1Br)C(C)C ZINC001658664941 1196286065 /nfs/dbraw/zinc/28/60/65/1196286065.db2.gz YTCIUNOPHXQSCL-NSHDSACASA-N 0 0 316.239 3.163 20 10 DGCDRN COc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(F)c(F)cc1[O-])CCO2 ZINC001658753260 1196297040 /nfs/dbraw/zinc/29/70/40/1196297040.db2.gz OYKRALJFKORIEK-HNNXBMFYSA-N 0 0 321.323 3.292 20 10 DGCDRN COC(=O)c1ccc(CN(C)c2ccc3c(c2)OCO3)cc1C ZINC001658807704 1196304212 /nfs/dbraw/zinc/30/42/12/1196304212.db2.gz YJGZVXHRQRAVOL-UHFFFAOYSA-N 0 0 313.353 3.147 20 10 DGCDRN Cc1cc(O)c(CN2CCN(CC(C)C)C(=O)[C@@H]2C)cc1Cl ZINC001658955675 1196324430 /nfs/dbraw/zinc/32/44/30/1196324430.db2.gz YRYVWIUFOHXEEK-ZDUSSCGKSA-N 0 0 324.852 3.043 20 10 DGCDRN COc1ccc(C[N@H+](C)Cc2cc(F)c(F)cc2[O-])cc1O ZINC001659061920 1196339231 /nfs/dbraw/zinc/33/92/31/1196339231.db2.gz QZMUGCYSHRGIAS-UHFFFAOYSA-N 0 0 309.312 3.017 20 10 DGCDRN CC(C)C[C@H]1COCCN1Cc1cc(F)c(N(C)C)cc1F ZINC001659156842 1196352886 /nfs/dbraw/zinc/35/28/86/1196352886.db2.gz FDZWIMVQOPGCSH-AWEZNQCLSA-N 0 0 312.404 3.278 20 10 DGCDRN CN(CC[NH+]1CCCCC1)Cc1cc(Cl)c(F)cc1[O-] ZINC001659559938 1196395063 /nfs/dbraw/zinc/39/50/63/1196395063.db2.gz BWOVTJZJIMQKDI-UHFFFAOYSA-N 0 0 300.805 3.102 20 10 DGCDRN O=C(NCc1c(O)cccc1F)Nc1c(F)cc(F)cc1F ZINC001659612437 1196400242 /nfs/dbraw/zinc/40/02/42/1196400242.db2.gz XOBACMYKVBCFBS-UHFFFAOYSA-N 0 0 314.238 3.270 20 10 DGCDRN [O-]c1c(F)cccc1C[NH2+]C[C@H]1CCN1C1CCCCCC1 ZINC001659859132 1196421751 /nfs/dbraw/zinc/42/17/51/1196421751.db2.gz OWQRFMFGCGEZCB-MRXNPFEDSA-N 0 0 306.425 3.418 20 10 DGCDRN CC(C)[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])C1(CO)CCCC1 ZINC001659969856 1196433413 /nfs/dbraw/zinc/43/34/13/1196433413.db2.gz CPMWZSFRTGYRSG-INIZCTEOSA-N 0 0 313.388 3.337 20 10 DGCDRN COc1ccc(N(C)Cc2cn(-c3ccc(F)cc3)nn2)cc1 ZINC001660194615 1196456074 /nfs/dbraw/zinc/45/60/74/1196456074.db2.gz JZKHOVGGLYIOQN-UHFFFAOYSA-N 0 0 312.348 3.051 20 10 DGCDRN CN1CCc2c(NCc3ccc(Cl)cc3O)cccc2C1=O ZINC001660293736 1196468102 /nfs/dbraw/zinc/46/81/02/1196468102.db2.gz JSZXSBCGOLQMFG-UHFFFAOYSA-N 0 0 316.788 3.286 20 10 DGCDRN COc1cncc(NCc2ccc(Br)cc2O)c1 ZINC001660453766 1196485216 /nfs/dbraw/zinc/48/52/16/1196485216.db2.gz VKDZVGPZCMVEIZ-UHFFFAOYSA-N 0 0 309.163 3.170 20 10 DGCDRN COc1cc(Cl)cc(C[NH2+]Cc2c([O-])cccc2F)c1O ZINC001660743177 1196517959 /nfs/dbraw/zinc/51/79/59/1196517959.db2.gz YEJTWJHDSWAXRU-UHFFFAOYSA-N 0 0 311.740 3.189 20 10 DGCDRN Oc1cc(F)c(F)cc1CNCC(F)(F)C1(O)CCCCC1 ZINC001660878542 1196537816 /nfs/dbraw/zinc/53/78/16/1196537816.db2.gz WODWQQYUODMOOZ-UHFFFAOYSA-N 0 0 321.314 3.091 20 10 DGCDRN CC(C)Oc1cc(NC(=O)NCc2c(O)cccc2F)ccn1 ZINC001661011056 1196552911 /nfs/dbraw/zinc/55/29/11/1196552911.db2.gz QEYRQYLOIOGWNH-UHFFFAOYSA-N 0 0 319.336 3.035 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@H]2CCCS2)c1 ZINC001661928327 1196663282 /nfs/dbraw/zinc/66/32/82/1196663282.db2.gz MSXFXBVACXGIAB-LLVKDONJSA-N 0 0 316.264 3.448 20 10 DGCDRN Cc1c(F)c(F)ccc1NC(=O)NCc1c(O)cccc1F ZINC001662605600 1196733275 /nfs/dbraw/zinc/73/32/75/1196733275.db2.gz QOCLRIXXPFWTNR-UHFFFAOYSA-N 0 0 310.275 3.440 20 10 DGCDRN Cc1ccc(-n2ccc(NC(=O)NCc3ccccc3O)n2)cc1 ZINC001663112075 1196793912 /nfs/dbraw/zinc/79/39/12/1196793912.db2.gz QXHDIZBWRSDSFK-UHFFFAOYSA-N 0 0 322.368 3.208 20 10 DGCDRN C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1c(F)cccc1F ZINC001663314721 1196833543 /nfs/dbraw/zinc/83/35/43/1196833543.db2.gz AQTYQBYLTKWMRK-VIFPVBQESA-N 0 0 308.284 3.429 20 10 DGCDRN CCc1cccc(CN(C)Cc2cnn(-c3ccccc3)n2)c1O ZINC001663841311 1196950575 /nfs/dbraw/zinc/95/05/75/1196950575.db2.gz ICIXZYNCXZUWQJ-UHFFFAOYSA-N 0 0 322.412 3.167 20 10 DGCDRN CN(Cc1cn(C)nc1C1CCCC1)c1ccc2c(c1)OCO2 ZINC001664243953 1196982992 /nfs/dbraw/zinc/98/29/92/1196982992.db2.gz YAZNKARVBZTWFN-UHFFFAOYSA-N 0 0 313.401 3.443 20 10 DGCDRN COc1ccc(N(C)Cc2c(OC)cccc2OC)cc1F ZINC001664243624 1196983160 /nfs/dbraw/zinc/98/31/60/1196983160.db2.gz ROIYVIUDPODOHH-UHFFFAOYSA-N 0 0 305.349 3.488 20 10 DGCDRN C[C@@](O)(CC[NH2+]Cc1cc(F)c(F)cc1[O-])c1ccccc1 ZINC001664410430 1196995761 /nfs/dbraw/zinc/99/57/61/1196995761.db2.gz ZGVPRRCOVJKVBZ-QGZVFWFLSA-N 0 0 307.340 3.058 20 10 DGCDRN COc1ccc(N(C)Cc2cc3c(cc[nH]c3=O)o2)cc1OC ZINC001665102774 1197098090 /nfs/dbraw/zinc/09/80/90/1197098090.db2.gz YMJPSQZDGUSBJH-UHFFFAOYSA-N 0 0 314.341 3.187 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc(OC(F)F)nc2)c1 ZINC001669286103 1197447392 /nfs/dbraw/zinc/44/73/92/1197447392.db2.gz YFUNPGNMOCPJOS-UHFFFAOYSA-N 0 0 323.299 3.019 20 10 DGCDRN CC[C@@H]1C[C@H]1NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001672169809 1197594253 /nfs/dbraw/zinc/59/42/53/1197594253.db2.gz TZOKPRUIGBHIKJ-CKEIUWERSA-N 0 0 303.450 3.090 20 10 DGCDRN Cc1cccn2c(NC(=O)NCc3ccc(N(C)C)cc3)cnc12 ZINC001673073298 1197636829 /nfs/dbraw/zinc/63/68/29/1197636829.db2.gz KPSXMFZAMQEMIX-UHFFFAOYSA-N 0 0 323.400 3.030 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@H](C)[C@H](C)C1 ZINC001673745069 1197689026 /nfs/dbraw/zinc/68/90/26/1197689026.db2.gz RAWAGXTUISJNRZ-XHSDSOJGSA-N 0 0 317.477 3.289 20 10 DGCDRN COc1nscc1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001674176068 1197743499 /nfs/dbraw/zinc/74/34/99/1197743499.db2.gz VXZZELAAQCJLJB-JTQLQIEISA-N 0 0 320.418 3.100 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCc2ccc(F)c(C)c2)c1 ZINC001674601883 1197800292 /nfs/dbraw/zinc/80/02/92/1197800292.db2.gz HSQAHABPUOOZKJ-UHFFFAOYSA-N 0 0 302.349 3.148 20 10 DGCDRN Cc1ccc(NC(=O)NCc2c(O)cccc2F)c(Cl)n1 ZINC001675200156 1198004969 /nfs/dbraw/zinc/00/49/69/1198004969.db2.gz XHAFHDOTUIWQGO-UHFFFAOYSA-N 0 0 309.728 3.210 20 10 DGCDRN Cc1ccc2c(c1)CC[C@H]2NC(=O)NCc1c(O)cccc1F ZINC001677315981 1198514115 /nfs/dbraw/zinc/51/41/15/1198514115.db2.gz UEYBDLWHZFTEIN-MRXNPFEDSA-N 0 0 314.360 3.326 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@]23C[C@H]2CCC3)cc1F ZINC001677345074 1198518822 /nfs/dbraw/zinc/51/88/22/1198518822.db2.gz IDANGUCJEAESGZ-RDTXWAMCSA-N 0 0 319.424 3.414 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC(c2ccccc2)C1 ZINC001677377135 1198525546 /nfs/dbraw/zinc/52/55/46/1198525546.db2.gz BSXMVANEFNYYJM-UHFFFAOYSA-N 0 0 323.440 3.370 20 10 DGCDRN Cc1ccc([C@@H](C)NC(=O)NCc2c(O)cccc2F)cc1 ZINC001677390699 1198527042 /nfs/dbraw/zinc/52/70/42/1198527042.db2.gz DIJKCQZLKUMYQA-GFCCVEGCSA-N 0 0 302.349 3.400 20 10 DGCDRN C[C@@H](CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001677664433 1198571040 /nfs/dbraw/zinc/57/10/40/1198571040.db2.gz SXWMIXFYMOTVJQ-HNNXBMFYSA-N 0 0 315.461 3.474 20 10 DGCDRN C[C@H](NC(=O)Nc1nc(C(F)(F)F)co1)c1ccccc1O ZINC001677949130 1198609481 /nfs/dbraw/zinc/60/94/81/1198609481.db2.gz OAAUXPSRDGBYKH-ZETCQYMHSA-N 0 0 315.251 3.282 20 10 DGCDRN C=COc1ccc(NC(=O)NCc2c(O)cccc2F)cc1 ZINC001678341764 1198671223 /nfs/dbraw/zinc/67/12/23/1198671223.db2.gz ICXBGJIKGFDWRR-UHFFFAOYSA-N 0 0 302.305 3.375 20 10 DGCDRN CC(C)O[C@H]1C[C@H](NC(=O)N2Cc3cccc(O)c3C2)C1(C)C ZINC001679868367 1198831879 /nfs/dbraw/zinc/83/18/79/1198831879.db2.gz DFVUNXFJYWXEEE-HOTGVXAUSA-N 0 0 318.417 3.010 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CCC1(C)C ZINC001682421459 1199159918 /nfs/dbraw/zinc/15/99/18/1199159918.db2.gz LXFILRKCTKEKIC-WMLDXEAASA-N 0 0 317.477 3.480 20 10 DGCDRN Cc1cc(CNC(=O)N2CC(F)(F)C2)c(C)n1-c1ccccc1 ZINC001684604278 1199398291 /nfs/dbraw/zinc/39/82/91/1199398291.db2.gz LTAWGLFMUSMVRN-UHFFFAOYSA-N 0 0 319.355 3.255 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC(C)(C)F ZINC001686827283 1199592791 /nfs/dbraw/zinc/59/27/91/1199592791.db2.gz ZPJMHRULHDIXGM-CYBMUJFWSA-N 0 0 309.429 3.039 20 10 DGCDRN CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1[C@@H]1C[C@@H]1C ZINC001692079815 1200923351 /nfs/dbraw/zinc/92/33/51/1200923351.db2.gz FZBZRZDRLKAYDN-DZGCQCFKSA-N 0 0 314.433 3.400 20 10 DGCDRN CCc1nnc(N(C)Cc2ccccc2O)n1CC1(C)CCC1 ZINC001694636702 1201099198 /nfs/dbraw/zinc/09/91/98/1201099198.db2.gz HFEAKDRGGMSTTN-UHFFFAOYSA-N 0 0 314.433 3.373 20 10 DGCDRN Cc1cc(Br)cc(NC(=O)c2cccc(O)c2O)c1 ZINC000229418135 1202596241 /nfs/dbraw/zinc/59/62/41/1202596241.db2.gz VJEPBJOYNDKYPO-UHFFFAOYSA-N 0 0 322.158 3.421 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Nc2nocc2C)cc1F ZINC000159494648 1202604874 /nfs/dbraw/zinc/60/48/74/1202604874.db2.gz RTMNVELQKVNSCV-UHFFFAOYSA-N 0 0 320.368 3.290 20 10 DGCDRN CCN1CCN(C(=O)/C=C/c2scnc2C)c2ccccc21 ZINC000186487286 1202927456 /nfs/dbraw/zinc/92/74/56/1202927456.db2.gz ZYFJRVDDBTWWPB-CMDGGOBGSA-N 0 0 313.426 3.338 20 10 DGCDRN CC[C@@](C[NH2+]Cc1ccc(C)cc1O)(C(=O)[O-])c1ccccc1 ZINC001595167993 979725866 /nfs/dbraw/zinc/72/58/66/979725866.db2.gz JIHWXPUSEGNIDH-IBGZPJMESA-N 0 0 313.397 3.223 20 10 DGCDRN CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C1(C(=O)[O-])CCC1 ZINC001595300015 980432938 /nfs/dbraw/zinc/43/29/38/980432938.db2.gz MNZKCBJLSGVERQ-OAHLLOKOSA-N 0 0 308.397 3.015 20 10 DGCDRN CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001589616119 987475345 /nfs/dbraw/zinc/47/53/45/987475345.db2.gz HAPAWRRZEWBLRP-GFCCVEGCSA-N 0 0 311.809 3.368 20 10 DGCDRN CCc1cccc(C[NH2+][C@H](C(=O)[O-])c2ccc(F)c(C)c2)c1O ZINC001597586793 988406653 /nfs/dbraw/zinc/40/66/53/988406653.db2.gz KKJNXGLHXFLYQK-INIZCTEOSA-N 0 0 317.360 3.318 20 10 DGCDRN CCc1cccc(C[N@@H+]2CCc3cccc(C(=O)[O-])c3C2)c1O ZINC001597587172 988409408 /nfs/dbraw/zinc/40/94/08/988409408.db2.gz RDMRMUHLOJKOEX-UHFFFAOYSA-N 0 0 311.381 3.211 20 10 DGCDRN CN(C)c1ccc(/C=C\C[NH2+]Cc2cccc(C(=O)[O-])c2)cc1 ZINC001598314253 991295111 /nfs/dbraw/zinc/29/51/11/991295111.db2.gz JZPDBTLWGXMTPR-XQRVVYSFSA-N 0 0 310.397 3.254 20 10 DGCDRN CN(C)c1ccc(C[N@H+](C)C2(C(=O)[O-])CCCCC2)cc1F ZINC001598317241 991301318 /nfs/dbraw/zinc/30/13/18/991301318.db2.gz BVGPJXWSQCZTOL-UHFFFAOYSA-N 0 0 308.397 3.111 20 10 DGCDRN C[C@@H]([NH2+]CCCSc1nccs1)c1cncc(C(=O)[O-])c1 ZINC001593268921 994595251 /nfs/dbraw/zinc/59/52/51/994595251.db2.gz WYULLLWIMFTEOU-SNVBAGLBSA-N 0 0 323.443 3.069 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cc(C(=O)[O-])ccc1O ZINC001593299874 994726213 /nfs/dbraw/zinc/72/62/13/994726213.db2.gz XIKLTCRLLZQWJV-LBPRGKRZSA-N 0 0 314.385 3.007 20 10 DGCDRN COc1cc(C[NH2+][C@H](C(=O)[O-])C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC001599416608 997522927 /nfs/dbraw/zinc/52/29/27/997522927.db2.gz DZPHQXVLWDXGNC-OAHLLOKOSA-N 0 0 323.433 3.287 20 10 DGCDRN COCC[C@@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)c1ccco1 ZINC001599219143 997635824 /nfs/dbraw/zinc/63/58/24/997635824.db2.gz WPBWLDHDZBGMPD-SMDDNHRTSA-N 0 0 319.357 3.112 20 10 DGCDRN COc1cnc(NCc2cc(Br)ccc2O)cc1C ZINC001171176217 1095648894 /nfs/dbraw/zinc/64/88/94/1095648894.db2.gz ZVBUAIPPGUWNIB-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN COc1nc(NCc2ccc(O)c(O)c2)cc2cc(F)ccc21 ZINC001169993333 1081806233 /nfs/dbraw/zinc/80/62/33/1081806233.db2.gz UFSWCUMPGQRNGX-UHFFFAOYSA-N 0 0 314.316 3.406 20 10 DGCDRN CC(C)(C)C(=O)Nc1cccc(NCc2ccc(O)c(O)c2)n1 ZINC001169994017 1081811150 /nfs/dbraw/zinc/81/11/50/1081811150.db2.gz XMWZZLPNKSEYPL-UHFFFAOYSA-N 0 0 315.373 3.090 20 10 DGCDRN COc1ncc(Cl)cc1-c1ccn(CC(F)(F)F)c(=O)c1 ZINC001242508545 1081835726 /nfs/dbraw/zinc/83/57/26/1081835726.db2.gz GOJICYZNENMKDR-UHFFFAOYSA-N 0 0 318.682 3.135 20 10 DGCDRN COc1cccc2cc(C(=O)NCc3cc(C)ccc3O)oc21 ZINC001167291024 1081911270 /nfs/dbraw/zinc/91/12/70/1081911270.db2.gz QURAKIDUXBORKA-UHFFFAOYSA-N 0 0 311.337 3.385 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cnc(-c3ccco3)s2)c1 ZINC001167293464 1081913303 /nfs/dbraw/zinc/91/33/03/1081913303.db2.gz FETAJGDQYZCAFH-UHFFFAOYSA-N 0 0 314.366 3.347 20 10 DGCDRN COc1cccc(CC(=O)N[C@H](C)c2ccccc2O)c1Cl ZINC001648889841 1081954077 /nfs/dbraw/zinc/95/40/77/1081954077.db2.gz OMTSFLOKEHPZPQ-LLVKDONJSA-N 0 0 319.788 3.474 20 10 DGCDRN Cn1c(=O)ccc2ccc(-c3cnccc3Br)cc21 ZINC001243056234 1082051195 /nfs/dbraw/zinc/05/11/95/1082051195.db2.gz GQPBILNNOSSGGK-UHFFFAOYSA-N 0 0 315.170 3.363 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc2ncccc21 ZINC000588403500 1082146756 /nfs/dbraw/zinc/14/67/56/1082146756.db2.gz MFPJPPATALURHM-CLFYSBASSA-N 0 0 306.321 3.298 20 10 DGCDRN CCN(Cc1cccs1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403294 1082146839 /nfs/dbraw/zinc/14/68/39/1082146839.db2.gz JKJFTMFOMNSNPY-VURMDHGXSA-N 0 0 303.383 3.221 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N(Cc1cccs1)C1CC1 ZINC000588403675 1082147521 /nfs/dbraw/zinc/14/75/21/1082147521.db2.gz UXHHKKUICUKWEM-YWEYNIOJSA-N 0 0 315.394 3.364 20 10 DGCDRN O=C(NC1(c2cccc(F)c2)CCC1)c1cccc(O)c1O ZINC001299807907 1082232925 /nfs/dbraw/zinc/23/29/25/1082232925.db2.gz VGNYOYDEFGKHIV-UHFFFAOYSA-N 0 0 301.317 3.046 20 10 DGCDRN CO[C@]1(C)C[C@H]([N@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])C1(C)C ZINC001167491008 1082287445 /nfs/dbraw/zinc/28/74/45/1082287445.db2.gz KJKUOQXQQGBWBY-MAUKXSAKSA-N 0 0 323.408 3.369 20 10 DGCDRN NC(=O)C1(NC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000588460144 1082349514 /nfs/dbraw/zinc/34/95/14/1082349514.db2.gz OEUNDBSDGLLABX-UHFFFAOYSA-N 0 0 323.356 3.241 20 10 DGCDRN COc1cccc(CN(C)Cc2c([O-])cc(F)cc2F)c1OC ZINC001140584561 1082590009 /nfs/dbraw/zinc/59/00/09/1082590009.db2.gz WRYHVRVSTTYUHX-UHFFFAOYSA-N 0 0 323.339 3.320 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C/c2ccc(Cl)nc2)cc1 ZINC001130574365 1082594825 /nfs/dbraw/zinc/59/48/25/1082594825.db2.gz HILVOIJRFXNRHE-ONNFQVAWSA-N 0 0 302.761 3.420 20 10 DGCDRN CC[N@H+](CCOC)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708133188 1082615182 /nfs/dbraw/zinc/61/51/82/1082615182.db2.gz IKKZCZRDVUCSSE-UHFFFAOYSA-N 0 0 322.630 3.276 20 10 DGCDRN Cc1cc(S(=O)(=O)N[C@@H](C)c2ccccc2O)cc(C)c1F ZINC001213415057 1082877753 /nfs/dbraw/zinc/87/77/53/1082877753.db2.gz ITDZCQGTGNGIBW-LBPRGKRZSA-N 0 0 323.389 3.188 20 10 DGCDRN C[C@@H]1c2ccccc2CCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588406419 1083160966 /nfs/dbraw/zinc/16/09/66/1083160966.db2.gz RMEUDRBCPKCYCK-FNOHHLHBSA-N 0 0 309.365 3.257 20 10 DGCDRN Cc1cc(C)c(CNC(=O)CCc2c[nH]c3ncccc23)c(O)c1 ZINC001181037773 1083399355 /nfs/dbraw/zinc/39/93/55/1083399355.db2.gz WFLRSFVZACJDBK-UHFFFAOYSA-N 0 0 323.396 3.134 20 10 DGCDRN Cc1cc(C)c(NC(=O)NCc2cccc(O)c2O)c(C)c1 ZINC001182126168 1083624523 /nfs/dbraw/zinc/62/45/23/1083624523.db2.gz OXWQZDJLZAKAHL-UHFFFAOYSA-N 0 0 300.358 3.345 20 10 DGCDRN O=C(CCc1ccc(O)c(O)c1)Nc1cnc(C2CC2)s1 ZINC001182154369 1083634372 /nfs/dbraw/zinc/63/43/72/1083634372.db2.gz GJJZCTZNFRKHAI-UHFFFAOYSA-N 0 0 304.371 3.003 20 10 DGCDRN COc1ccc2c(c1)CC[C@@H]2C(=O)N1CCc2cccc(O)c2C1 ZINC001182445982 1083720548 /nfs/dbraw/zinc/72/05/48/1083720548.db2.gz CXBUXHNLVBNEQI-KRWDZBQOSA-N 0 0 323.392 3.016 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC001182918251 1083841297 /nfs/dbraw/zinc/84/12/97/1083841297.db2.gz KVSSKGPCVFLKNW-SJCJKPOMSA-N 0 0 311.372 3.452 20 10 DGCDRN CN1c2ccccc2CN(Cc2ccc(Cl)cc2O)CC1=O ZINC001182940952 1083842773 /nfs/dbraw/zinc/84/27/73/1083842773.db2.gz FSGLSDQWDKZOSU-UHFFFAOYSA-N 0 0 316.788 3.024 20 10 DGCDRN COc1ccc([C@H](C(=O)NCc2ccccc2O)C(C)C)cc1 ZINC001182994097 1083851609 /nfs/dbraw/zinc/85/16/09/1083851609.db2.gz PVBMCLGFFGAQTH-GOSISDBHSA-N 0 0 313.397 3.457 20 10 DGCDRN COc1cc(C)c(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)c(O)c1 ZINC001183155587 1083880715 /nfs/dbraw/zinc/88/07/15/1083880715.db2.gz HXCJPPBDPUZCIM-HNNXBMFYSA-N 0 0 313.397 3.404 20 10 DGCDRN Cc1cc(C)c(CNC(=O)[C@H](C)OCc2ccccc2)c(O)c1 ZINC001183496741 1083960789 /nfs/dbraw/zinc/96/07/89/1083960789.db2.gz LBLFERGIQSOYDN-HNNXBMFYSA-N 0 0 313.397 3.231 20 10 DGCDRN O=C([C@@H]1CC12CCC(F)(F)CC2)N1CCc2cccc(O)c2C1 ZINC001183572097 1083974645 /nfs/dbraw/zinc/97/46/45/1083974645.db2.gz ICOIUTRHOYAYJP-AWEZNQCLSA-N 0 0 321.367 3.493 20 10 DGCDRN CN(C)c1cc(F)c(CN2CC(Oc3ccccc3)C2)cc1F ZINC001184428134 1084182606 /nfs/dbraw/zinc/18/26/06/1084182606.db2.gz HXKGZZMOLYGGTL-UHFFFAOYSA-N 0 0 318.367 3.294 20 10 DGCDRN CN(C)c1ccc([C@@H](O)c2nc(-c3ccccc3F)no2)cc1 ZINC001211701097 1084224092 /nfs/dbraw/zinc/22/40/92/1084224092.db2.gz JRTYAFZNFPWMLY-OAHLLOKOSA-N 0 0 313.332 3.023 20 10 DGCDRN CCOc1cccc(CN2CC[C@@H](CF)C(F)(F)C2)c1O ZINC001203602211 1084291465 /nfs/dbraw/zinc/29/14/65/1084291465.db2.gz IRQUCIMATDFENF-LBPRGKRZSA-N 0 0 303.324 3.218 20 10 DGCDRN O=C(Nc1ccc(F)c(F)c1F)N1CCc2cccc(O)c2C1 ZINC001185322674 1084418919 /nfs/dbraw/zinc/41/89/19/1084418919.db2.gz NRZIZGGTVWQFKN-UHFFFAOYSA-N 0 0 322.286 3.400 20 10 DGCDRN O=C(NCc1ccccc1O)c1ccc(OCC2CC2)cc1F ZINC001185871092 1084539832 /nfs/dbraw/zinc/53/98/32/1084539832.db2.gz MQXREIRJTDAQTL-UHFFFAOYSA-N 0 0 315.344 3.250 20 10 DGCDRN O=C(NCc1ccccc1O)[C@@H]1CC(=O)c2cc(Cl)ccc21 ZINC001186255873 1084626840 /nfs/dbraw/zinc/62/68/40/1084626840.db2.gz DEFXEBNPAKSESG-CQSZACIVSA-N 0 0 315.756 3.032 20 10 DGCDRN CC(C)[C@@H]1COCCN1Cc1cc(Br)ccc1O ZINC001203645723 1084703126 /nfs/dbraw/zinc/70/31/26/1084703126.db2.gz NJKBZJSQBPZBEC-ZDUSSCGKSA-N 0 0 314.223 3.012 20 10 DGCDRN O=[N+]([O-])c1cccc2c1ccnc2N1Cc2cccc(O)c2C1 ZINC001187405678 1084796973 /nfs/dbraw/zinc/79/69/73/1084796973.db2.gz PXVKUVKZUPJBPA-UHFFFAOYSA-N 0 0 307.309 3.369 20 10 DGCDRN Cc1cc(Cl)cc(C[NH2+][C@@H](Cc2ccccc2)C(=O)[O-])c1O ZINC001610462638 1126239380 /nfs/dbraw/zinc/23/93/80/1126239380.db2.gz PLDMLGDXDXYYFJ-HNNXBMFYSA-N 0 0 319.788 3.140 20 10 DGCDRN CCCCC(CCCC)Oc1c(O)c(O)c(O)c(O)c1O ZINC001226469865 1086090666 /nfs/dbraw/zinc/09/06/66/1086090666.db2.gz YLDVVHNMOTYIQT-UHFFFAOYSA-N 0 0 300.351 3.342 20 10 DGCDRN COc1ccc2c(c1)CCN(Cc1cc(F)c(F)cc1O)C2 ZINC001142509137 1087274863 /nfs/dbraw/zinc/27/48/63/1087274863.db2.gz YGNOEAXGDHLTNS-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN COc1cc(/C=C/c2nc(-c3ccccc3)no2)cc(O)c1O ZINC001212149414 1087542764 /nfs/dbraw/zinc/54/27/64/1087542764.db2.gz DERLDHHSXBWLFK-BQYQJAHWSA-N 0 0 310.309 3.327 20 10 DGCDRN C[C@@H]1CN(Cc2c(O)cccc2Cl)C[C@@](C)(C(F)F)O1 ZINC000698928421 1087707327 /nfs/dbraw/zinc/70/73/27/1087707327.db2.gz JSAQKNFERPBGRE-OTYXRUKQSA-N 0 0 305.752 3.290 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(OC(C)(C)C)cn1)c1ccccc1O ZINC001151886147 1087811370 /nfs/dbraw/zinc/81/13/70/1087811370.db2.gz XKWBDDZQSZOJJU-GFCCVEGCSA-N 0 0 314.385 3.456 20 10 DGCDRN CCCCCc1cc(C(=O)N[C@H](C)c2ccccc2O)[nH]n1 ZINC001151885883 1087811663 /nfs/dbraw/zinc/81/16/63/1087811663.db2.gz LYWNLADLJLSDPA-GFCCVEGCSA-N 0 0 301.390 3.339 20 10 DGCDRN O=C(Cc1cccc2ncccc12)N1Cc2cccc(O)c2C1 ZINC001152572314 1088005421 /nfs/dbraw/zinc/00/54/21/1088005421.db2.gz ANPBTZWVASWFPQ-UHFFFAOYSA-N 0 0 304.349 3.025 20 10 DGCDRN Oc1ccc(CNc2ncnc3[nH]c4ccccc4c32)cc1O ZINC001158995265 1088122985 /nfs/dbraw/zinc/12/29/85/1088122985.db2.gz AWLMXFDUNCZVPO-UHFFFAOYSA-N 0 0 306.325 3.134 20 10 DGCDRN CCc1nc(Cl)nc(Cl)c1NCc1ccc(O)c(O)c1 ZINC001159005436 1088132522 /nfs/dbraw/zinc/13/25/22/1088132522.db2.gz KSXVEKCHYXWGJX-UHFFFAOYSA-N 0 0 314.172 3.369 20 10 DGCDRN CO[C@@](C)(C(=O)NCc1cccc(Cl)c1O)c1ccccc1 ZINC001159034365 1088152774 /nfs/dbraw/zinc/15/27/74/1088152774.db2.gz SJCQLNOEVVTZEX-QGZVFWFLSA-N 0 0 319.788 3.224 20 10 DGCDRN Cc1cnc(Cl)cc1C(=O)NCc1cccc(Cl)c1O ZINC001159041431 1088156340 /nfs/dbraw/zinc/15/63/40/1088156340.db2.gz MSFSONSDXXVYCU-UHFFFAOYSA-N 0 0 311.168 3.332 20 10 DGCDRN Cc1cc2ccccc2nc1NCC(=O)c1ccc(O)c(O)c1 ZINC001159277713 1088265562 /nfs/dbraw/zinc/26/55/62/1088265562.db2.gz WHABWIZFQZNHFR-UHFFFAOYSA-N 0 0 308.337 3.249 20 10 DGCDRN Cc1nc(Cl)cc(NCC(=O)c2ccc(O)c(O)c2)c1C ZINC001159279059 1088266970 /nfs/dbraw/zinc/26/69/70/1088266970.db2.gz JNJBJNSGDVHVCN-UHFFFAOYSA-N 0 0 306.749 3.058 20 10 DGCDRN CSc1ccnc(Cl)c1NCC(=O)c1ccc(O)c(O)c1 ZINC001159279246 1088267011 /nfs/dbraw/zinc/26/70/11/1088267011.db2.gz NRHOTFHNDGTQMJ-UHFFFAOYSA-N 0 0 324.789 3.163 20 10 DGCDRN Cc1c2cc(F)ccc2oc1C(=O)NCc1cccc(O)c1O ZINC001153792978 1088363250 /nfs/dbraw/zinc/36/32/50/1088363250.db2.gz WXKYLQUEUXDDCN-UHFFFAOYSA-N 0 0 315.300 3.222 20 10 DGCDRN O=C(/C=C\c1ccc(Cl)s1)NCc1cc(O)ccc1O ZINC001153885520 1088395209 /nfs/dbraw/zinc/39/52/09/1088395209.db2.gz PODLEWLTNVEHEJ-UTCJRWHESA-N 0 0 309.774 3.142 20 10 DGCDRN COc1ncncc1NCc1cc(Cl)c2cccnc2c1O ZINC001168523624 1088591439 /nfs/dbraw/zinc/59/14/39/1088591439.db2.gz QGWSXLCAZCRWPS-UHFFFAOYSA-N 0 0 316.748 3.005 20 10 DGCDRN CCN(CC)c1cc(N(CC)Cc2ccccc2O)ncn1 ZINC001154888926 1088811788 /nfs/dbraw/zinc/81/17/88/1088811788.db2.gz KRONYXDWKSZJKD-UHFFFAOYSA-N 0 0 300.406 3.055 20 10 DGCDRN CCN(Cc1ccccc1O)c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001154889893 1088812357 /nfs/dbraw/zinc/81/23/57/1088812357.db2.gz KKHJIYDLZMETRQ-UHFFFAOYSA-N 0 0 324.340 3.270 20 10 DGCDRN CCN(Cc1ccccc1O)c1cc(C(=O)OC)cc(Cl)n1 ZINC001154890215 1088812961 /nfs/dbraw/zinc/81/29/61/1088812961.db2.gz STZUMMOWRFYFPP-UHFFFAOYSA-N 0 0 320.776 3.254 20 10 DGCDRN CCN(Cc1ccccc1O)C(F)(F)c1nccc(Cl)n1 ZINC001154890222 1088813079 /nfs/dbraw/zinc/81/30/79/1088813079.db2.gz SUQHYIXWYSOUTO-UHFFFAOYSA-N 0 0 313.735 3.407 20 10 DGCDRN CCOCc1cnc(Cl)nc1N(CC)Cc1ccccc1O ZINC001154889395 1088813586 /nfs/dbraw/zinc/81/35/86/1088813586.db2.gz YPJVVJUIPRIJAA-UHFFFAOYSA-N 0 0 321.808 3.399 20 10 DGCDRN CCOC(=O)c1cc(F)cnc1NCc1cccc(C)c1O ZINC001160764132 1088946017 /nfs/dbraw/zinc/94/60/17/1088946017.db2.gz CNIHZSFPOPNWIC-UHFFFAOYSA-N 0 0 304.321 3.024 20 10 DGCDRN Cc1cccc(CNc2ccc(C(=O)NC(C)(C)C)cn2)c1O ZINC001160768920 1088950936 /nfs/dbraw/zinc/95/09/36/1088950936.db2.gz DYLCUUIHYXMBAW-UHFFFAOYSA-N 0 0 313.401 3.236 20 10 DGCDRN COC(=O)c1cc(Cl)nc(NCc2c(C)cc(C)cc2O)c1 ZINC001160807799 1088971924 /nfs/dbraw/zinc/97/19/24/1088971924.db2.gz FAVZRABSTOTIOX-UHFFFAOYSA-N 0 0 320.776 3.456 20 10 DGCDRN COc1ccc(CNC(=O)[C@@H]2Cc3ccc(Cl)cc32)c(O)c1 ZINC001155575696 1089172557 /nfs/dbraw/zinc/17/25/57/1089172557.db2.gz XDAKHMBXMRMPOE-OAHLLOKOSA-N 0 0 317.772 3.010 20 10 DGCDRN Oc1cc2c(cc1O)CN(c1ncc(Cl)cc1F)CCC2 ZINC001155933518 1089304332 /nfs/dbraw/zinc/30/43/32/1089304332.db2.gz WCKFDZBOQAPQTO-UHFFFAOYSA-N 0 0 308.740 3.238 20 10 DGCDRN Cc1cc2cccnc2c(N2CCCc3cc(O)c(O)cc3C2)n1 ZINC001155945581 1089307974 /nfs/dbraw/zinc/30/79/74/1089307974.db2.gz WZUYBCJLAHBPTI-UHFFFAOYSA-N 0 0 321.380 3.302 20 10 DGCDRN Cc1cc(N2CCCc3cc(O)c(O)cc3C2)nc(C(C)C)n1 ZINC001155944597 1089309331 /nfs/dbraw/zinc/30/93/31/1089309331.db2.gz IPQXIQPFKNUKJR-UHFFFAOYSA-N 0 0 313.401 3.272 20 10 DGCDRN C[C@@H](C(=O)NCc1ccc(O)cc1O)c1cc2ccccc2o1 ZINC001162277936 1089650321 /nfs/dbraw/zinc/65/03/21/1089650321.db2.gz DRGONBYNQYGYQQ-LLVKDONJSA-N 0 0 311.337 3.264 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1cc2sccc2s1 ZINC001162278316 1089650556 /nfs/dbraw/zinc/65/05/56/1089650556.db2.gz HDOCNSXLKWTNSC-UHFFFAOYSA-N 0 0 305.380 3.304 20 10 DGCDRN CN(C)c1ccc(CN(C)c2nncc3ccc(F)cc32)cc1 ZINC001156920660 1089743107 /nfs/dbraw/zinc/74/31/07/1089743107.db2.gz GPTPDVIQJQCSGW-UHFFFAOYSA-N 0 0 310.376 3.471 20 10 DGCDRN COc1ccc(Cl)nc1N(C)Cc1ccc(N(C)C)cc1 ZINC001156920698 1089744186 /nfs/dbraw/zinc/74/41/86/1089744186.db2.gz IVPBGVUFVRQQRU-UHFFFAOYSA-N 0 0 305.809 3.446 20 10 DGCDRN Cc1nc(N(C)Cc2ccc(N(C)C)cc2)nc(C)c1Cl ZINC001156921066 1089744564 /nfs/dbraw/zinc/74/45/64/1089744564.db2.gz RLXMRVTVVNEFIW-UHFFFAOYSA-N 0 0 304.825 3.449 20 10 DGCDRN CN(C)c1ccc(CN(C)c2nccc(OC(C)(C)C)n2)cc1 ZINC001156923806 1089745177 /nfs/dbraw/zinc/74/51/77/1089745177.db2.gz GKLOTYITCVTFCS-UHFFFAOYSA-N 0 0 314.433 3.356 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)c1ccnc(C2CC2)c1 ZINC001162613171 1089832451 /nfs/dbraw/zinc/83/24/51/1089832451.db2.gz XXQOPTDAQSSNGU-UHFFFAOYSA-N 0 0 319.364 3.143 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2CC[C@H]2C)c1 ZINC001157138001 1089836964 /nfs/dbraw/zinc/83/69/64/1089836964.db2.gz VSVQOOXXTRQMOA-XIKOKIGWSA-N 0 0 310.397 3.435 20 10 DGCDRN Cc1ccc2ccnc(NCCc3cc(O)c(O)cc3O)c2c1 ZINC001157245767 1089890233 /nfs/dbraw/zinc/89/02/33/1089890233.db2.gz MLXKQLZRPNNHRS-UHFFFAOYSA-N 0 0 310.353 3.315 20 10 DGCDRN Cc1cc(Cl)c(C)c(NCCc2cc(O)c(O)cc2O)n1 ZINC001157245743 1089890505 /nfs/dbraw/zinc/89/05/05/1089890505.db2.gz LMVCYUHVNYFBHV-UHFFFAOYSA-N 0 0 308.765 3.123 20 10 DGCDRN Cc1cccc2c1ccnc2NCCc1cc(O)c(O)cc1O ZINC001157245678 1089891254 /nfs/dbraw/zinc/89/12/54/1089891254.db2.gz HYNBNSSNWJRBFS-UHFFFAOYSA-N 0 0 310.353 3.315 20 10 DGCDRN CCOC(=O)c1cc(Cl)nc(NCc2ccc(N)cc2)c1C ZINC001162785412 1089954035 /nfs/dbraw/zinc/95/40/35/1089954035.db2.gz CYSZCWGMJFTCPX-UHFFFAOYSA-N 0 0 319.792 3.414 20 10 DGCDRN Nc1ccc(CNC(F)(F)c2ccc(F)c(Cl)n2)cc1 ZINC001162784436 1089954154 /nfs/dbraw/zinc/95/41/54/1089954154.db2.gz NFKYWVCPSWBNLC-UHFFFAOYSA-N 0 0 301.699 3.295 20 10 DGCDRN CCOC(=O)c1cc(Cl)nc(NCc2ccc(N)cc2)c1 ZINC001162784346 1089955313 /nfs/dbraw/zinc/95/53/13/1089955313.db2.gz LOTIXXOMZKRQAL-UHFFFAOYSA-N 0 0 305.765 3.106 20 10 DGCDRN Nc1ccc(CNc2nc3ccccc3nc2N2CCCC2)cc1 ZINC001162787608 1089956804 /nfs/dbraw/zinc/95/68/04/1089956804.db2.gz OJIZKRKKXZETGC-UHFFFAOYSA-N 0 0 319.412 3.424 20 10 DGCDRN OCc1cnc(Sc2nccs2)n1Cc1cccc(F)c1 ZINC001163450278 1090188631 /nfs/dbraw/zinc/18/86/31/1090188631.db2.gz ORZICXIKRHVGPH-UHFFFAOYSA-N 0 0 321.402 3.171 20 10 DGCDRN CCC1(C(=O)NCCC2=CCN(c3cccc(F)n3)CC2)CC1 ZINC001089858737 1090225997 /nfs/dbraw/zinc/22/59/97/1090225997.db2.gz ATIUTYWGZGZBFK-UHFFFAOYSA-N 0 0 317.408 3.054 20 10 DGCDRN Oc1ccc(Cl)c(Cl)c1CN1CCOC[C@@H]1C1CC1 ZINC001237085302 1090284367 /nfs/dbraw/zinc/28/43/67/1090284367.db2.gz XRVFHTIXGXEEHV-GFCCVEGCSA-N 0 0 302.201 3.310 20 10 DGCDRN C[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])CCC[C@]1(C)O ZINC001237617166 1090314602 /nfs/dbraw/zinc/31/46/02/1090314602.db2.gz LYNSIMVTJVXITO-BONVTDFDSA-N 0 0 301.789 3.168 20 10 DGCDRN Cc1csc2nc(C)nc(NCc3cc(O)ccc3O)c12 ZINC001164046908 1090326052 /nfs/dbraw/zinc/32/60/52/1090326052.db2.gz SJGHGHZTTUXVOE-UHFFFAOYSA-N 0 0 301.371 3.331 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2[O-])CC[C@]1(C)O ZINC001237808677 1090326415 /nfs/dbraw/zinc/32/64/15/1090326415.db2.gz VXZUDRFOOJKSOD-BMIGLBTASA-N 0 0 301.789 3.168 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2[O-])CC[C@@]1(C)O ZINC001237808686 1090326845 /nfs/dbraw/zinc/32/68/45/1090326845.db2.gz VXZUDRFOOJKSOD-MEBBXXQBSA-N 0 0 301.789 3.168 20 10 DGCDRN Cc1ccc(-c2noc(-c3csnn3)n2)cc1Br ZINC001212362386 1090574846 /nfs/dbraw/zinc/57/48/46/1090574846.db2.gz QWBQETLNTWWLAH-UHFFFAOYSA-N 0 0 323.175 3.326 20 10 DGCDRN Nc1ccc(N(Cc2ccccc2)c2ccc(CO)nc2)cc1 ZINC001212382410 1090605425 /nfs/dbraw/zinc/60/54/25/1090605425.db2.gz RQPWHFASBMROAJ-UHFFFAOYSA-N 0 0 305.381 3.494 20 10 DGCDRN Oc1ccccc1CN1Cc2cnc(-c3ccccc3)nc2C1 ZINC001203558335 1090613428 /nfs/dbraw/zinc/61/34/28/1090613428.db2.gz FSRGGZAPMKCYMI-UHFFFAOYSA-N 0 0 303.365 3.365 20 10 DGCDRN Cc1snnc1-c1nc(-c2cc(F)c(F)c(F)c2F)no1 ZINC001212405286 1090626187 /nfs/dbraw/zinc/62/61/87/1090626187.db2.gz LUGZXMGHYZFDEV-UHFFFAOYSA-N 0 0 316.239 3.120 20 10 DGCDRN CC[C@](C)(C[NH2+]Cc1cc(Br)cc(F)c1[O-])OC ZINC000715720392 1090717927 /nfs/dbraw/zinc/71/79/27/1090717927.db2.gz XUGOGYOGMFZDAH-CYBMUJFWSA-N 0 0 320.202 3.199 20 10 DGCDRN Oc1ccccc1CN1Cc2cc(Br)cnc2C1 ZINC001203556468 1090753989 /nfs/dbraw/zinc/75/39/89/1090753989.db2.gz PYCYMDZXBQLAIZ-UHFFFAOYSA-N 0 0 305.175 3.066 20 10 DGCDRN O=C(c1ccncc1)c1ccccc1Nc1ccc([N+](=O)[O-])nc1 ZINC001203585777 1090761452 /nfs/dbraw/zinc/76/14/52/1090761452.db2.gz SLOJUNXYODJRSY-UHFFFAOYSA-N 0 0 320.308 3.359 20 10 DGCDRN Oc1ccc(Br)cc1CN1CCc2cccnc2C1 ZINC001203650210 1090773614 /nfs/dbraw/zinc/77/36/14/1090773614.db2.gz NENIWMOENRVDQS-UHFFFAOYSA-N 0 0 319.202 3.108 20 10 DGCDRN Oc1ccc(Br)cc1CN1CCc2occc2C1 ZINC001203650512 1090773676 /nfs/dbraw/zinc/77/36/76/1090773676.db2.gz VRRLMGMSKQFEQT-UHFFFAOYSA-N 0 0 308.175 3.306 20 10 DGCDRN CCC[N@H+](Cc1cc(Cl)ccc1[O-])C1CCN(C(C)=O)CC1 ZINC001203663945 1090775489 /nfs/dbraw/zinc/77/54/89/1090775489.db2.gz HJMMMNKGAWTICK-UHFFFAOYSA-N 0 0 324.852 3.269 20 10 DGCDRN Oc1ccc(Cl)cc1CN1CCO[C@@H](c2ccncc2)C1 ZINC001203664505 1090776039 /nfs/dbraw/zinc/77/60/39/1090776039.db2.gz HYEAQLFYHIZRKK-MRXNPFEDSA-N 0 0 304.777 3.014 20 10 DGCDRN CN(C)c1ccc(C[N@@H+]2CCN(C)[C@H](c3ccccc3)C2)cc1 ZINC001203933582 1090842260 /nfs/dbraw/zinc/84/22/60/1090842260.db2.gz ALQQISSBBNEEHM-FQEVSTJZSA-N 0 0 309.457 3.241 20 10 DGCDRN CN(C)c1ccc(C[N@@H+]2CCN(C)[C@@H](c3ccccc3)C2)cc1 ZINC001203933583 1090842680 /nfs/dbraw/zinc/84/26/80/1090842680.db2.gz ALQQISSBBNEEHM-HXUWFJFHSA-N 0 0 309.457 3.241 20 10 DGCDRN CCOC(=O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CCCC1 ZINC001203936566 1090844811 /nfs/dbraw/zinc/84/48/11/1090844811.db2.gz HTRIAVIZCVNYNF-UHFFFAOYSA-N 0 0 304.434 3.060 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1cc(F)ccc1F)CCC2 ZINC001204220141 1090926625 /nfs/dbraw/zinc/92/66/25/1090926625.db2.gz JDYNGJNICKDSSP-UHFFFAOYSA-N 0 0 305.324 3.324 20 10 DGCDRN CN(C)c1ccc(CN2Cc3cnn(C)c3C2)c2ccccc21 ZINC001204241905 1090932323 /nfs/dbraw/zinc/93/23/23/1090932323.db2.gz KJXPGAYTTACLRD-UHFFFAOYSA-N 0 0 306.413 3.155 20 10 DGCDRN CC(C)c1ccc(O)c(CN2CCNC(=O)[C@H]2c2ccccc2)c1 ZINC001204433233 1090968542 /nfs/dbraw/zinc/96/85/42/1090968542.db2.gz YMKBWBVKDDCNFY-LJQANCHMSA-N 0 0 324.424 3.189 20 10 DGCDRN Nc1ccc(CN2CCCC[C@H]2C(=O)OCc2ccccc2)cc1 ZINC001204953600 1091071836 /nfs/dbraw/zinc/07/18/36/1091071836.db2.gz BMUPFUHSYLOQLG-IBGZPJMESA-N 0 0 324.424 3.367 20 10 DGCDRN Oc1cc(F)c(F)cc1CN1CCN(Cc2ccsc2)CC1 ZINC001205023688 1091086694 /nfs/dbraw/zinc/08/66/94/1091086694.db2.gz HFBFOPNYWONBQD-UHFFFAOYSA-N 0 0 324.396 3.050 20 10 DGCDRN Cc1c(CN2CC(F)(F)CC[C@@H]2CO)c2ccccc2n1C ZINC001138252617 1091125874 /nfs/dbraw/zinc/12/58/74/1091125874.db2.gz NRSAYDKYIPIOGS-CYBMUJFWSA-N 0 0 308.372 3.079 20 10 DGCDRN Cc1c(CN2CC(F)(F)CC[C@H]2CO)c2ccccc2n1C ZINC001138252618 1091126705 /nfs/dbraw/zinc/12/67/05/1091126705.db2.gz NRSAYDKYIPIOGS-ZDUSSCGKSA-N 0 0 308.372 3.079 20 10 DGCDRN Oc1c(CN2Cc3cccnc3C2)cc2c3c1CCCN3CCC2 ZINC001138337882 1091145065 /nfs/dbraw/zinc/14/50/65/1091145065.db2.gz FPYPOMBYTAFBHR-UHFFFAOYSA-N 0 0 321.424 3.002 20 10 DGCDRN CCN(CC)c1ccc(CN2CCC(=O)C[C@@H]2C)c(OC)c1 ZINC001138386749 1091161352 /nfs/dbraw/zinc/16/13/52/1091161352.db2.gz VRPSDGWQFMSCCO-AWEZNQCLSA-N 0 0 304.434 3.095 20 10 DGCDRN CCN(CC)c1ccc(CN2CCOCC2(C)C)c(OC)c1 ZINC001138390460 1091165985 /nfs/dbraw/zinc/16/59/85/1091165985.db2.gz XTAKWVPUVZQLOG-UHFFFAOYSA-N 0 0 306.450 3.152 20 10 DGCDRN COc1cc(N(C)C[C@]2(C)CCCCO2)cc(OC)c1OC ZINC001205353505 1091196760 /nfs/dbraw/zinc/19/67/60/1091196760.db2.gz KYQUZLKRRQYFNU-KRWDZBQOSA-N 0 0 309.406 3.108 20 10 DGCDRN Cc1nc(C(F)(F)NCc2ccc(N)cc2)nc(Cl)c1C ZINC001162786468 1091217537 /nfs/dbraw/zinc/21/75/37/1091217537.db2.gz XDQALBCKHSRYHV-UHFFFAOYSA-N 0 0 312.751 3.168 20 10 DGCDRN Oc1cccc(F)c1CN1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001137839753 1091220124 /nfs/dbraw/zinc/22/01/24/1091220124.db2.gz IKKARRXBEVMYKF-CYBMUJFWSA-N 0 0 315.270 3.388 20 10 DGCDRN CCCCC[C@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)OC ZINC001205434836 1091221170 /nfs/dbraw/zinc/22/11/70/1091221170.db2.gz RCAVICKNNQDYSB-GIFJBRJJSA-N 0 0 318.461 3.477 20 10 DGCDRN COc1ccc(N2CCN(Cc3cc(C)ccc3F)CC2)cc1 ZINC001205612251 1091278678 /nfs/dbraw/zinc/27/86/78/1091278678.db2.gz UDKRPKXCOSBLCW-UHFFFAOYSA-N 0 0 314.404 3.465 20 10 DGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@H](F)C2)c1[O-] ZINC001118202010 1091355433 /nfs/dbraw/zinc/35/54/33/1091355433.db2.gz NFFPSHDVMHLUOF-WDEREUQCSA-N 0 0 302.733 3.324 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCCC[C@H](F)C1 ZINC001139127269 1091459127 /nfs/dbraw/zinc/45/91/27/1091459127.db2.gz SWXVLLQHNJICHM-LBPRGKRZSA-N 0 0 305.349 3.131 20 10 DGCDRN [NH3+]C[C@@]1(F)CCCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001206334936 1091583943 /nfs/dbraw/zinc/58/39/43/1091583943.db2.gz AZCWCIPFMMHOIO-AWEZNQCLSA-N 0 0 321.223 3.352 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1cccc(Cl)n1)CCC2 ZINC001139552424 1091600659 /nfs/dbraw/zinc/60/06/59/1091600659.db2.gz WYUQZHWNCJWVFS-UHFFFAOYSA-N 0 0 304.777 3.095 20 10 DGCDRN N=c1ccc(N=Nc2ccccc2)c(N)n1-c1ccc[nH]c1=O ZINC001206431026 1091628074 /nfs/dbraw/zinc/62/80/74/1091628074.db2.gz OBDYFECLFFGMRU-ZDHCPWPQSA-N 0 0 306.329 3.055 20 10 DGCDRN CC(C)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(O)cc1O ZINC000820667752 1091629729 /nfs/dbraw/zinc/62/97/29/1091629729.db2.gz FUAGPPCVDRZQPW-QGZVFWFLSA-N 0 0 313.397 3.229 20 10 DGCDRN Cc1cc(CN2CCOC[C@H]2c2cccnc2)ccc1N(C)C ZINC001139673534 1091640009 /nfs/dbraw/zinc/64/00/09/1091640009.db2.gz JJGDWRHVNGODRA-IBGZPJMESA-N 0 0 311.429 3.030 20 10 DGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001139683616 1091641298 /nfs/dbraw/zinc/64/12/98/1091641298.db2.gz OUNDXRGPNQAJES-ZDUSSCGKSA-N 0 0 320.339 3.109 20 10 DGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001139685507 1091641395 /nfs/dbraw/zinc/64/13/95/1091641395.db2.gz LXFHFQNNWUWFFO-GFCCVEGCSA-N 0 0 313.241 3.394 20 10 DGCDRN Oc1cccc(Br)c1CN1CC(F)(F)C[C@H]1CF ZINC001140098612 1091766259 /nfs/dbraw/zinc/76/62/59/1091766259.db2.gz HQDBSNADSMNSJE-QMMMGPOBSA-N 0 0 324.140 3.334 20 10 DGCDRN Oc1cccc(Br)c1CN1C[C@@H](F)C[C@H]1CF ZINC001140098797 1091766510 /nfs/dbraw/zinc/76/65/10/1091766510.db2.gz LLUBIVSZDPZNJQ-IUCAKERBSA-N 0 0 306.150 3.037 20 10 DGCDRN CN(Cc1ccccn1)Cc1c(O)cccc1Br ZINC001140098926 1091767593 /nfs/dbraw/zinc/76/75/93/1091767593.db2.gz TUMHJMHSBYJWMR-UHFFFAOYSA-N 0 0 307.191 3.182 20 10 DGCDRN Cc1cc(F)cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1N ZINC001296648788 1091776580 /nfs/dbraw/zinc/77/65/80/1091776580.db2.gz NUJVMSDNOACQAM-LBPRGKRZSA-N 0 0 315.392 3.273 20 10 DGCDRN Cc1ccc(C)c(CN2[C@@H](C(F)(F)F)CCC[C@H]2CO)c1O ZINC001140178653 1091792157 /nfs/dbraw/zinc/79/21/57/1091792157.db2.gz SQYFSLNNWOXODG-GXTWGEPZSA-N 0 0 317.351 3.287 20 10 DGCDRN C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CC[C@]1(O)C(F)(F)F ZINC001140337941 1091833101 /nfs/dbraw/zinc/83/31/01/1091833101.db2.gz OAIXTUYEJJHUQS-TVQRCGJNSA-N 0 0 323.742 3.181 20 10 DGCDRN Oc1cccc(Cl)c1C[N@@H+]1CCCC[C@@](O)(C(F)(F)F)C1 ZINC001140337784 1091833342 /nfs/dbraw/zinc/83/33/42/1091833342.db2.gz DWDMEFILZNGAFL-ZDUSSCGKSA-N 0 0 323.742 3.325 20 10 DGCDRN CCOC(=O)[C@@H]1CCCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001140341726 1091835204 /nfs/dbraw/zinc/83/52/04/1091835204.db2.gz DWRPQWYHEFUJOY-GFCCVEGCSA-N 0 0 311.809 3.211 20 10 DGCDRN CS(=O)(=O)N(c1ccc(N)cc1)c1cccc(Cl)c1F ZINC001203036522 1091866388 /nfs/dbraw/zinc/86/63/88/1091866388.db2.gz GGSMBFJVQLKORV-UHFFFAOYSA-N 0 0 314.769 3.159 20 10 DGCDRN COC(=O)c1cccc(C[N@H+](C)Cc2c([O-])cc(F)cc2F)c1 ZINC001140584251 1091919692 /nfs/dbraw/zinc/91/96/92/1091919692.db2.gz KNPQXXVJUMXZFO-UHFFFAOYSA-N 0 0 321.323 3.089 20 10 DGCDRN Cc1cccc(N2CC[NH+](Cc3c([O-])cc(F)cc3F)CC2)c1 ZINC001140582368 1091920378 /nfs/dbraw/zinc/92/03/78/1091920378.db2.gz HCHCVNQCVSXEAM-UHFFFAOYSA-N 0 0 318.367 3.301 20 10 DGCDRN C[N@H+](Cc1ccc(OC(F)F)c(O)c1)Cc1ccccc1O ZINC001140630192 1091938109 /nfs/dbraw/zinc/93/81/09/1091938109.db2.gz LZJOYXAWRUGDKI-UHFFFAOYSA-N 0 0 309.312 3.331 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2ccc(O)c(F)c2F)cc1 ZINC001297819943 1091970041 /nfs/dbraw/zinc/97/00/41/1091970041.db2.gz DCWZLENJTJRWPU-UHFFFAOYSA-N 0 0 320.255 3.085 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001207549186 1092018003 /nfs/dbraw/zinc/01/80/03/1092018003.db2.gz RMJGUSYGXYXDPP-KDOFPFPSSA-N 0 0 301.336 3.444 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]CC[C@@H]1OCCc2ccccc21 ZINC001207639906 1092056591 /nfs/dbraw/zinc/05/65/91/1092056591.db2.gz VBUGMIVWKYRICF-SFHVURJKSA-N 0 0 319.351 3.464 20 10 DGCDRN CC[C@@H]1[N@H+](Cc2ccc(C)cc2O)CCC[C@]12CCC(=O)N2C ZINC001140950430 1092077557 /nfs/dbraw/zinc/07/75/57/1092077557.db2.gz SYISAULHWCVOJK-HKUYNNGSSA-N 0 0 316.445 3.066 20 10 DGCDRN COc1ccc(C[N@H+](C)Cc2ccc(C)cc2O)c(OC)c1 ZINC001140950884 1092077966 /nfs/dbraw/zinc/07/79/66/1092077966.db2.gz MZDUEJNLLIHYJI-UHFFFAOYSA-N 0 0 301.386 3.350 20 10 DGCDRN CCOC(=O)CN(Cc1ccsc1)Cc1ccc(C)cc1O ZINC001140957708 1092081489 /nfs/dbraw/zinc/08/14/89/1092081489.db2.gz KLBDEGRNJZGESP-UHFFFAOYSA-N 0 0 319.426 3.327 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCc2c(Cl)cc(F)cc2C1 ZINC001298683909 1092089026 /nfs/dbraw/zinc/08/90/26/1092089026.db2.gz CLSCJLWYRCIINP-UHFFFAOYSA-N 0 0 311.765 3.445 20 10 DGCDRN COc1cc(O)c(CN(C)Cc2ccccc2OC)c(OC)c1 ZINC001141027037 1092111152 /nfs/dbraw/zinc/11/11/52/1092111152.db2.gz LBYDDABRMWTTHC-UHFFFAOYSA-N 0 0 317.385 3.050 20 10 DGCDRN CN1CCOc2cc(CN3CCOC[C@@H]3c3ccccc3)ccc21 ZINC001141140528 1092148756 /nfs/dbraw/zinc/14/87/56/1092148756.db2.gz NMYXFFFPUDILOI-LJQANCHMSA-N 0 0 324.424 3.089 20 10 DGCDRN C[C@@H](NC(=O)Nc1cnn2ccccc12)c1ccc(N(C)C)cc1 ZINC001207972314 1092163971 /nfs/dbraw/zinc/16/39/71/1092163971.db2.gz ZJBQTUKSBHCKQW-CYBMUJFWSA-N 0 0 323.400 3.283 20 10 DGCDRN C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1cccc(C2CC2)c1 ZINC001141451080 1092247491 /nfs/dbraw/zinc/24/74/91/1092247491.db2.gz NXMWAOODLVIBHA-GFCCVEGCSA-N 0 0 311.381 3.395 20 10 DGCDRN Oc1cc(F)c(F)cc1CN1CCc2nc(Cl)ccc2C1 ZINC001142524591 1092493155 /nfs/dbraw/zinc/49/31/55/1092493155.db2.gz CGUULQMGHWDILY-UHFFFAOYSA-N 0 0 310.731 3.277 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001142524949 1092494022 /nfs/dbraw/zinc/49/40/22/1092494022.db2.gz QVNLAXFJIGMVOT-AWEZNQCLSA-N 0 0 320.339 3.109 20 10 DGCDRN O=C(N[C@@H](CCc1ccccc1)C(F)F)c1cccc(O)c1O ZINC001300878992 1092526375 /nfs/dbraw/zinc/52/63/75/1092526375.db2.gz SWQQBUUQZXGFBQ-ZDUSSCGKSA-N 0 0 321.323 3.094 20 10 DGCDRN CC(C)(C)c1cccc(CN2CC(N3CCC(F)(F)C3)C2)c1O ZINC001143111077 1092616479 /nfs/dbraw/zinc/61/64/79/1092616479.db2.gz WQILURFDVTYCDL-UHFFFAOYSA-N 0 0 324.415 3.215 20 10 DGCDRN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2ccccc2O)c1C ZINC001149871955 1092739065 /nfs/dbraw/zinc/73/90/65/1092739065.db2.gz MYBZFMSJVFSVIN-UHFFFAOYSA-N 0 0 314.341 3.189 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(CN2CCn3c(C)nnc3C2)cc1 ZINC001209517266 1092805541 /nfs/dbraw/zinc/80/55/41/1092805541.db2.gz FKCRDIFEJOFFQH-UHFFFAOYSA-N 0 0 321.428 3.010 20 10 DGCDRN CC(=O)N1CCc2cc(Nc3ccc4c(c3)OCCN4)ccc21 ZINC001209728247 1092895194 /nfs/dbraw/zinc/89/51/94/1092895194.db2.gz OKYZLEHSHKJHTL-UHFFFAOYSA-N 0 0 309.369 3.144 20 10 DGCDRN CNC(=O)c1ccc(Nc2ccc3c(c2)OCCN3)cc1Cl ZINC001209767977 1092911534 /nfs/dbraw/zinc/91/15/34/1092911534.db2.gz UFUYOBICVUXOTN-UHFFFAOYSA-N 0 0 317.776 3.248 20 10 DGCDRN Fc1cccc(Nc2ccc3c(c2)OCCN3)c1OC1COC1 ZINC001209790275 1092923910 /nfs/dbraw/zinc/92/39/10/1092923910.db2.gz YDAQZZNHJGEKAY-UHFFFAOYSA-N 0 0 316.332 3.151 20 10 DGCDRN COc1c(F)c(F)c(Nc2cccc(O)c2O)c(F)c1F ZINC001210763070 1093276296 /nfs/dbraw/zinc/27/62/96/1093276296.db2.gz IYNJAKIIBIDMRN-UHFFFAOYSA-N 0 0 303.211 3.406 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCC(C)C ZINC001211033242 1093358284 /nfs/dbraw/zinc/35/82/84/1093358284.db2.gz RLQYBDLYUYNBST-HNNXBMFYSA-N 0 0 305.466 3.337 20 10 DGCDRN CCCc1ccc(S(=O)(=O)NCc2cc(C)ccc2O)cc1 ZINC001213165083 1093532455 /nfs/dbraw/zinc/53/24/55/1093532455.db2.gz LAOXVJAWXYFXDN-UHFFFAOYSA-N 0 0 319.426 3.132 20 10 DGCDRN Nc1ccc(N(CCO)c2ccc(N3CCCC3)cc2F)cc1 ZINC001213850040 1093671065 /nfs/dbraw/zinc/67/10/65/1093671065.db2.gz VIGULZSTEXEHQH-UHFFFAOYSA-N 0 0 315.392 3.139 20 10 DGCDRN COCc1ccccc1NC(=O)N[C@@H](C)c1ccccc1O ZINC001214680207 1093830682 /nfs/dbraw/zinc/83/06/82/1093830682.db2.gz ZYMYAWYGUHKAIE-LBPRGKRZSA-N 0 0 300.358 3.421 20 10 DGCDRN O=C1CCCc2cc(-c3noc(-c4cccc(O)c4O)n3)ccc21 ZINC001215145952 1093927141 /nfs/dbraw/zinc/92/71/41/1093927141.db2.gz TYQYYLWGAWJGCH-UHFFFAOYSA-N 0 0 322.320 3.334 20 10 DGCDRN COc1c(C)cc(-c2noc(-c3cccc(O)c3O)n2)cc1C ZINC001215145945 1093927160 /nfs/dbraw/zinc/92/71/60/1093927160.db2.gz STSVSMBJQYIVON-UHFFFAOYSA-N 0 0 312.325 3.440 20 10 DGCDRN Oc1ccc(-c2nc(-c3ccc(-n4ccnc4)cc3)no2)cc1O ZINC001215304352 1093955929 /nfs/dbraw/zinc/95/59/29/1093955929.db2.gz LJUDPYZYSFNOCH-UHFFFAOYSA-N 0 0 320.308 3.001 20 10 DGCDRN Cc1cc(F)c(F)cc1-c1noc(-c2ccc(O)c(O)c2)n1 ZINC001215304470 1093956136 /nfs/dbraw/zinc/95/61/36/1093956136.db2.gz ORSQOUPCXGDGSW-UHFFFAOYSA-N 0 0 304.252 3.401 20 10 DGCDRN Oc1ccc(-c2nc(-c3cccc(F)c3Cl)no2)c(O)c1O ZINC001215325499 1093960464 /nfs/dbraw/zinc/96/04/64/1093960464.db2.gz WVUUTKZHDDTUKN-UHFFFAOYSA-N 0 0 322.679 3.313 20 10 DGCDRN Cc1ccc(-c2noc(-c3ccc(O)c(O)c3O)n2)c(F)c1F ZINC001215325263 1093960477 /nfs/dbraw/zinc/96/04/77/1093960477.db2.gz JCTVJPUMLHJJIE-UHFFFAOYSA-N 0 0 320.251 3.107 20 10 DGCDRN Cc1cc(F)c(F)cc1-c1noc(-c2ccc(O)c(O)c2O)n1 ZINC001215325186 1093960583 /nfs/dbraw/zinc/96/05/83/1093960583.db2.gz GAMLTKOHYRLLTQ-UHFFFAOYSA-N 0 0 320.251 3.107 20 10 DGCDRN Oc1ccc(-c2nc(-c3ccc4ccncc4c3)no2)c(O)c1O ZINC001215325359 1093960793 /nfs/dbraw/zinc/96/07/93/1093960793.db2.gz OIFULSHRYJRCQQ-UHFFFAOYSA-N 0 0 321.292 3.069 20 10 DGCDRN Oc1cc(-c2nc(-c3cc(F)ccc3Cl)no2)cc(O)c1O ZINC001215327516 1093961506 /nfs/dbraw/zinc/96/15/06/1093961506.db2.gz FLXDGALWMPFIGF-UHFFFAOYSA-N 0 0 322.679 3.313 20 10 DGCDRN CC(C)Oc1c(F)c(F)ccc1N(CCO)c1ccc(N)cc1 ZINC001215425058 1093980612 /nfs/dbraw/zinc/98/06/12/1093980612.db2.gz QJFQRUDSDQBLAM-UHFFFAOYSA-N 0 0 322.355 3.465 20 10 DGCDRN [O-]c1c(Br)cccc1C[NH2+]CCC[C@H]1CCOC1 ZINC000402351112 1094002488 /nfs/dbraw/zinc/00/24/88/1094002488.db2.gz ZRMJPMSWZMKTTO-NSHDSACASA-N 0 0 314.223 3.061 20 10 DGCDRN Cc1ccc(OC(C)C)cc1N(CCO)c1ccc(N)cc1 ZINC001215583581 1094007627 /nfs/dbraw/zinc/00/76/27/1094007627.db2.gz ICFGOEGPVSYKFM-UHFFFAOYSA-N 0 0 300.402 3.495 20 10 DGCDRN CC[C@H]1CN(Cc2cc(Br)ccc2O)[C@@H](C)CO1 ZINC000403839921 1094187431 /nfs/dbraw/zinc/18/74/31/1094187431.db2.gz SGZROYZOKZFVJK-GWCFXTLKSA-N 0 0 314.223 3.154 20 10 DGCDRN CC[C@@H]1CN(Cc2cc(Br)ccc2O)[C@H](C)CO1 ZINC000403839926 1094188096 /nfs/dbraw/zinc/18/80/96/1094188096.db2.gz SGZROYZOKZFVJK-ZWNOBZJWSA-N 0 0 314.223 3.154 20 10 DGCDRN O=C1c2ccccc2C(=O)c2c(NC3=CCCOC3)cccc21 ZINC001216506404 1094210879 /nfs/dbraw/zinc/21/08/79/1094210879.db2.gz MWKIJAUGFAILCD-UHFFFAOYSA-N 0 0 305.333 3.178 20 10 DGCDRN COC(C)(C)C[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000404324539 1094254378 /nfs/dbraw/zinc/25/43/78/1094254378.db2.gz QILALZYRVFVGFB-UHFFFAOYSA-N 0 0 302.212 3.012 20 10 DGCDRN COc1cc(-c2nc(-c3ccc(C)cc3C)no2)cc(O)c1O ZINC001216944105 1094282489 /nfs/dbraw/zinc/28/24/89/1094282489.db2.gz HOSXVXNKOXUDPX-UHFFFAOYSA-N 0 0 312.325 3.440 20 10 DGCDRN COc1cc(-c2nc(-c3cccc(C)c3C)no2)cc(O)c1O ZINC001216944123 1094282982 /nfs/dbraw/zinc/28/29/82/1094282982.db2.gz IOENGBREDUTLPX-UHFFFAOYSA-N 0 0 312.325 3.440 20 10 DGCDRN [O-]c1c(C[NH+]2CCC(Nc3ccccn3)CC2)ccc(F)c1F ZINC001119977095 1094330857 /nfs/dbraw/zinc/33/08/57/1094330857.db2.gz MPZNBTCDRFHPOG-UHFFFAOYSA-N 0 0 319.355 3.142 20 10 DGCDRN Nc1cc(N)cc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)c1 ZINC001217759429 1094491737 /nfs/dbraw/zinc/49/17/37/1094491737.db2.gz YDRNTRMSUDBPGZ-UHFFFAOYSA-N 0 0 317.352 3.359 20 10 DGCDRN COc1ccc(C)cc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001135377214 1094508232 /nfs/dbraw/zinc/50/82/32/1094508232.db2.gz NCPBHSGBACWWCH-UHFFFAOYSA-N 0 0 312.329 3.418 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC001135797914 1094682993 /nfs/dbraw/zinc/68/29/93/1094682993.db2.gz WINPHICLVGYMON-RBSFLKMASA-N 0 0 303.402 3.115 20 10 DGCDRN C[C@@H](O)c1cccc(N2CC=C(c3ccc(Cl)nc3)CC2)n1 ZINC001336734771 1094714746 /nfs/dbraw/zinc/71/47/46/1094714746.db2.gz LEHSKEHCDZYSJO-GFCCVEGCSA-N 0 0 315.804 3.477 20 10 DGCDRN CCn1c([C@H](C)SC)nnc1N(C)Cc1ccccc1O ZINC001121735005 1094759005 /nfs/dbraw/zinc/75/90/05/1094759005.db2.gz WBBLJNRWVDHIPJ-NSHDSACASA-N 0 0 306.435 3.064 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1CCC[C@H](CCF)C1 ZINC001121765004 1094768084 /nfs/dbraw/zinc/76/80/84/1094768084.db2.gz WPCSPNHVHMBYJK-LLVKDONJSA-N 0 0 324.425 3.308 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1CCC[C@@H](CCF)C1 ZINC001121765006 1094768775 /nfs/dbraw/zinc/76/87/75/1094768775.db2.gz WPCSPNHVHMBYJK-NSHDSACASA-N 0 0 324.425 3.308 20 10 DGCDRN Cc1nc(Cl)ccc1-c1ccn(CC(F)(F)F)c(=O)c1 ZINC001245777754 1094770575 /nfs/dbraw/zinc/77/05/75/1094770575.db2.gz WQIDWOFBQJIRSD-UHFFFAOYSA-N 0 0 302.683 3.434 20 10 DGCDRN Nc1ccc(CCNC(=O)CCCCc2cccc(O)c2)cc1 ZINC001121810218 1094781403 /nfs/dbraw/zinc/78/14/03/1094781403.db2.gz GIEZMBIEVTUFAP-UHFFFAOYSA-N 0 0 312.413 3.046 20 10 DGCDRN Cc1cc(NC(=O)N[C@@H](C)c2ccccc2O)cn2ccnc12 ZINC001218792996 1094868789 /nfs/dbraw/zinc/86/87/89/1094868789.db2.gz YUKBBTWWJLWMAP-LBPRGKRZSA-N 0 0 310.357 3.231 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CC(C)(C)CO1 ZINC001136428595 1095034404 /nfs/dbraw/zinc/03/44/04/1095034404.db2.gz FGMNNIAFYZNSBN-KRWDZBQOSA-N 0 0 318.461 3.306 20 10 DGCDRN C[C@@H](NC(=O)Nc1ccc2occc(=O)c2c1)c1ccccc1O ZINC001220452537 1095098522 /nfs/dbraw/zinc/09/85/22/1095098522.db2.gz DIBZSXKERUFWND-LLVKDONJSA-N 0 0 324.336 3.381 20 10 DGCDRN Cc1cc(C(=O)NC2(C)COC2)c(C)n1-c1cc(C)cc(C)c1 ZINC001171042228 1095178044 /nfs/dbraw/zinc/17/80/44/1095178044.db2.gz PAIRKCZBONYZEC-UHFFFAOYSA-N 0 0 312.413 3.230 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[C@H]2C(C)C)cc1 ZINC001221228130 1095214374 /nfs/dbraw/zinc/21/43/74/1095214374.db2.gz XQCWIIAJXBHODC-DLBZAZTESA-N 0 0 303.450 3.377 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2C[C@@H]3CCCC[C@@]32C)cc1F ZINC001221545390 1095298865 /nfs/dbraw/zinc/29/88/65/1095298865.db2.gz IARCNQOUCKURJS-KSSFIOAISA-N 0 0 319.424 3.366 20 10 DGCDRN Nc1ccc(CNC(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)cc1 ZINC001338730530 1095372923 /nfs/dbraw/zinc/37/29/23/1095372923.db2.gz BKSYPNTUUWPEIM-IEBWSBKVSA-N 0 0 323.440 3.479 20 10 DGCDRN CCOC(=O)[C@@H](C)N(Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001338770645 1095384804 /nfs/dbraw/zinc/38/48/04/1095384804.db2.gz USZOXMSNQKFXQU-OAHLLOKOSA-N 0 0 316.445 3.203 20 10 DGCDRN CCOC(=O)[C@H](C)N(Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001338770642 1095384906 /nfs/dbraw/zinc/38/49/06/1095384906.db2.gz USZOXMSNQKFXQU-HNNXBMFYSA-N 0 0 316.445 3.203 20 10 DGCDRN [O-]c1c(F)ccc(F)c1CN1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001139684650 1095399130 /nfs/dbraw/zinc/39/91/30/1095399130.db2.gz ONIIQMQIVSSAEQ-CYBMUJFWSA-N 0 0 310.388 3.121 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)NCCC(F)F)C2CC2)cc1 ZINC001123737054 1095415638 /nfs/dbraw/zinc/41/56/38/1095415638.db2.gz MVIWBSCVMZPFHV-UHFFFAOYSA-N 0 0 311.376 3.082 20 10 DGCDRN CC[C@H](C)Oc1ccc(C(=O)NCc2cccc(O)c2O)cc1 ZINC001123978207 1095503640 /nfs/dbraw/zinc/50/36/40/1095503640.db2.gz RHDLXNJJJVEDHI-LBPRGKRZSA-N 0 0 315.369 3.205 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)CCC(C)C)CC2)cc1 ZINC001116348504 1095522935 /nfs/dbraw/zinc/52/29/35/1095522935.db2.gz YJDJEVLNLPSXJV-UHFFFAOYSA-N 0 0 304.434 3.170 20 10 DGCDRN Cc1ccccc1C(F)(F)C(=O)N(C)Cc1ccccc1O ZINC001116414639 1095543533 /nfs/dbraw/zinc/54/35/33/1095543533.db2.gz RQDCJAMGLFIUEM-UHFFFAOYSA-N 0 0 305.324 3.451 20 10 DGCDRN CN(Cc1ncc(Cl)n1C)Cc1ccc(N2CCCC2)cc1 ZINC001116498686 1095580173 /nfs/dbraw/zinc/58/01/73/1095580173.db2.gz WOZCRBMMCXCDGC-UHFFFAOYSA-N 0 0 318.852 3.306 20 10 DGCDRN C[C@]1(CF)CC[N@H+](Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144298368 1095590439 /nfs/dbraw/zinc/59/04/39/1095590439.db2.gz CJVFSKBONBBWLU-CYBMUJFWSA-N 0 0 320.177 3.475 20 10 DGCDRN [O-]c1cc(F)c(Br)cc1C[N@@H+]1CCC[C@H](CF)C1 ZINC001144300173 1095595648 /nfs/dbraw/zinc/59/56/48/1095595648.db2.gz VSPYDGUAATYESO-SECBINFHSA-N 0 0 320.177 3.475 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccnc(F)c1 ZINC001124549116 1095603230 /nfs/dbraw/zinc/60/32/30/1095603230.db2.gz CHBDNGIFFIKYPL-UHFFFAOYSA-N 0 0 313.376 3.093 20 10 DGCDRN Oc1c(CN2CC[C@]3(CCC[NH2+]3)C2)cccc1-c1ccccc1 ZINC001222476635 1095633460 /nfs/dbraw/zinc/63/34/60/1095633460.db2.gz AWFRWHWRGSDKJT-HXUWFJFHSA-N 0 0 308.425 3.387 20 10 DGCDRN Oc1ccc(Br)cc1CNc1nccnc1Cl ZINC001171175310 1095646052 /nfs/dbraw/zinc/64/60/52/1095646052.db2.gz JZDCHIPHWHSTFB-UHFFFAOYSA-N 0 0 314.570 3.210 20 10 DGCDRN COc1nccc(C)c1NCc1cc(Br)ccc1O ZINC001171177948 1095647436 /nfs/dbraw/zinc/64/74/36/1095647436.db2.gz OINGZCLETUQVGY-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN CN(Cc1ccccc1O)c1nnc([C@@H]2C[C@@H]2C(C)(C)C)n1C ZINC001339571734 1095661599 /nfs/dbraw/zinc/66/15/99/1095661599.db2.gz PKORYGTUOCNCSF-KGLIPLIRSA-N 0 0 314.433 3.307 20 10 DGCDRN Cn1c(C2SC=CC2=O)nnc1N1CCC2(CCCC2)C1 ZINC001339575316 1095662112 /nfs/dbraw/zinc/66/21/12/1095662112.db2.gz XLGSBRHOYNXXGY-UHFFFAOYSA-N 0 0 304.419 3.020 20 10 DGCDRN O=C(COC1CCCCC1)Nc1c2nonc2ccc1Cl ZINC001116836691 1095676617 /nfs/dbraw/zinc/67/66/17/1095676617.db2.gz GXVOLUVFBWYMKF-UHFFFAOYSA-N 0 0 309.753 3.164 20 10 DGCDRN C[C@](O)(C1CC[NH+](Cc2c([O-])cccc2F)CC1)C(F)(F)F ZINC001137840409 1095760661 /nfs/dbraw/zinc/76/06/61/1095760661.db2.gz ZMWLNTDCIDZMCO-AWEZNQCLSA-N 0 0 321.314 3.057 20 10 DGCDRN CC(=O)Nc1ccc(NCc2c(C)c3ccccc3n2C)nc1 ZINC001117357904 1095763131 /nfs/dbraw/zinc/76/31/31/1095763131.db2.gz YFEOGDMLLDPFSN-UHFFFAOYSA-N 0 0 308.385 3.452 20 10 DGCDRN CC1(C)CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1(C)C ZINC001339877491 1095766582 /nfs/dbraw/zinc/76/65/82/1095766582.db2.gz BVAOLLCJVWEALS-UHFFFAOYSA-N 0 0 313.445 3.393 20 10 DGCDRN Cc1cc(CN(C)Cc2noc(C)n2)c(C)n1-c1ccccc1 ZINC001137856066 1095767726 /nfs/dbraw/zinc/76/77/26/1095767726.db2.gz PBNLRVTTXGCLDQ-UHFFFAOYSA-N 0 0 310.401 3.418 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1cc(F)cc(F)c1F)CCC2 ZINC001137875267 1095776032 /nfs/dbraw/zinc/77/60/32/1095776032.db2.gz OHXNWYNALGWVEA-UHFFFAOYSA-N 0 0 323.314 3.464 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1CCCC2(CC2)C1 ZINC001340027364 1095823417 /nfs/dbraw/zinc/82/34/17/1095823417.db2.gz YRGUHJKPNYSBAD-UHFFFAOYSA-N 0 0 304.419 3.113 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1c[nH]c2cnccc12 ZINC001117753842 1095833971 /nfs/dbraw/zinc/83/39/71/1095833971.db2.gz CXRZVCFNADKHFA-UHFFFAOYSA-N 0 0 323.396 3.250 20 10 DGCDRN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cccc(F)c1[O-] ZINC001138130744 1095901799 /nfs/dbraw/zinc/90/17/99/1095901799.db2.gz GTMSDRPSKCNOIF-YPMHNXCESA-N 0 0 324.396 3.019 20 10 DGCDRN Cc1cccc(C)c1N1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC001138131392 1095902441 /nfs/dbraw/zinc/90/24/41/1095902441.db2.gz YWULEBUCOHHGPY-UHFFFAOYSA-N 0 0 314.404 3.470 20 10 DGCDRN CCOc1nc(NCc2cccc(C)c2O)ccc1[N+](=O)[O-] ZINC001160769213 1095937521 /nfs/dbraw/zinc/93/75/21/1095937521.db2.gz BAQWJAQJOCVFCJ-UHFFFAOYSA-N 0 0 303.318 3.015 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCC[C@H](F)C1 ZINC001118124130 1095937735 /nfs/dbraw/zinc/93/77/35/1095937735.db2.gz VJYYFVZEQHLGPE-HOTGVXAUSA-N 0 0 317.408 3.143 20 10 DGCDRN Nc1ccc(Cc2nc(C(=O)N[C@@H]3C=CCCC3)cs2)cc1 ZINC001118283663 1095975605 /nfs/dbraw/zinc/97/56/05/1095975605.db2.gz DLNNKAUMLHURIM-CQSZACIVSA-N 0 0 313.426 3.155 20 10 DGCDRN O=C(C[C@H]1Cc2ccccc2O1)NCc1cc(Cl)ccc1O ZINC001146231239 1096007023 /nfs/dbraw/zinc/00/70/23/1096007023.db2.gz CZTKNPJQKPKXNT-CQSZACIVSA-N 0 0 317.772 3.056 20 10 DGCDRN CN(C)c1cc(F)c(CNc2ccc([S@](C)=O)cc2)cc1F ZINC001118858321 1096093183 /nfs/dbraw/zinc/09/31/83/1096093183.db2.gz GCQNDSCIDKVIBH-QFIPXVFZSA-N 0 0 324.396 3.380 20 10 DGCDRN CC(C)n1ncc(C(=O)NCc2ccc(N(C)C)cc2)c1Cl ZINC001118966671 1096111383 /nfs/dbraw/zinc/11/13/83/1096111383.db2.gz NORXJELRWZTLEX-UHFFFAOYSA-N 0 0 320.824 3.113 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@@H]2Cc2ccccc2)cc1 ZINC001147114085 1096166839 /nfs/dbraw/zinc/16/68/39/1096166839.db2.gz VYNNEUJAHYSWCP-HOCLYGCPSA-N 0 0 322.368 3.210 20 10 DGCDRN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H](CCO)C(F)(F)F ZINC001119376002 1096181478 /nfs/dbraw/zinc/18/14/78/1096181478.db2.gz KOKDQJGUHRCBOM-JFGNBEQYSA-N 0 0 303.324 3.152 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)NCC1(C2CC2)CCC1 ZINC001224669967 1096261187 /nfs/dbraw/zinc/26/11/87/1096261187.db2.gz GEZGRQQUDRLZJO-UHFFFAOYSA-N 0 0 308.809 3.425 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2sccc2-n2cccc2)c1 ZINC001147957375 1096296970 /nfs/dbraw/zinc/29/69/70/1096296970.db2.gz QYHUTRKBQWPGRO-UHFFFAOYSA-N 0 0 312.394 3.483 20 10 DGCDRN Cc1cc(=O)[nH]c2ccc(NC(=O)C3=CC(=O)CS3)cc12 ZINC001148140941 1096314806 /nfs/dbraw/zinc/31/48/06/1096314806.db2.gz YKTCIJJRERPMQJ-UHFFFAOYSA-N 0 0 300.339 3.268 20 10 DGCDRN Cc1cc([C@H](C)NC(=O)c2cc(O)c(O)c(O)c2)ccc1Cl ZINC001148590132 1096408780 /nfs/dbraw/zinc/40/87/80/1096408780.db2.gz XLXNRZQGKCYGNT-VIFPVBQESA-N 0 0 321.760 3.256 20 10 DGCDRN CC(C)(C)[C@H]1CC[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)CC1 ZINC001148590320 1096408978 /nfs/dbraw/zinc/40/89/78/1096408978.db2.gz HONYVQKRPXEKOG-TXEJJXNPSA-N 0 0 307.390 3.138 20 10 DGCDRN O=C(N[C@@H](C1CCCCC1)C(F)(F)F)c1cccc(O)c1O ZINC001148898512 1096463162 /nfs/dbraw/zinc/46/31/62/1096463162.db2.gz DXOPNWCSRHDUED-ZDUSSCGKSA-N 0 0 317.307 3.339 20 10 DGCDRN O=C1c2cccc(O)c2C(=O)c2c(O[C@@H]3C=CCC3)cccc21 ZINC001226380512 1096675221 /nfs/dbraw/zinc/67/52/21/1096675221.db2.gz XLTDRNJBKRVAHP-LLVKDONJSA-N 0 0 306.317 3.265 20 10 DGCDRN COc1nc(NCc2cc3ccccc3cc2O)cn2ccnc12 ZINC001171405279 1096676347 /nfs/dbraw/zinc/67/63/47/1096676347.db2.gz UAHRUQQOMAWABI-UHFFFAOYSA-N 0 0 320.352 3.209 20 10 DGCDRN CCC[C@@H](C)[C@@H](Oc1c(O)c(O)c(O)c(O)c1O)C(C)C ZINC001226467679 1096696911 /nfs/dbraw/zinc/69/69/11/1096696911.db2.gz JANCGRFFXHBYNA-CLAHSXSESA-N 0 0 300.351 3.054 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CC=CC[C@H]1C ZINC001227354331 1096920362 /nfs/dbraw/zinc/92/03/62/1096920362.db2.gz AWCKPMFBFONZMX-CXAGYDPISA-N 0 0 301.434 3.215 20 10 DGCDRN Cc1onc(-c2ccccn2)c1C(=O)N[C@H](C)c1ccccc1O ZINC001171723707 1096954452 /nfs/dbraw/zinc/95/44/52/1096954452.db2.gz YBEAISYPUINWFS-LLVKDONJSA-N 0 0 323.352 3.242 20 10 DGCDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccccc1O ZINC001171729443 1096956793 /nfs/dbraw/zinc/95/67/93/1096956793.db2.gz CLRDWYDWERTQGF-LBPRGKRZSA-N 0 0 314.341 3.408 20 10 DGCDRN CCOC(=O)[C@@H](C)[C@H](Oc1ccc(N(C)C)cc1)C(F)(F)F ZINC001227940701 1097017342 /nfs/dbraw/zinc/01/73/42/1097017342.db2.gz NSQBPSZWHXXUDQ-GWCFXTLKSA-N 0 0 319.323 3.262 20 10 DGCDRN CC[C@H](C)Oc1c(O)c(O)ccc1C(=O)c1ccc(O)cc1 ZINC001228113747 1097053168 /nfs/dbraw/zinc/05/31/68/1097053168.db2.gz DNDRWMNJLMSQEF-JTQLQIEISA-N 0 0 302.326 3.212 20 10 DGCDRN CCC[C@@H](CC)Oc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC001228203333 1097073145 /nfs/dbraw/zinc/07/31/45/1097073145.db2.gz BLZRRGUPXDRMQF-QGZVFWFLSA-N 0 0 304.434 3.313 20 10 DGCDRN O=S1(=O)CC(Oc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC001229006791 1097235070 /nfs/dbraw/zinc/23/50/70/1097235070.db2.gz IZJSDEBKTCCDOB-WUKNDPDISA-N 0 0 302.355 3.278 20 10 DGCDRN O=C1c2ccccc2C(=O)c2c(OC3CCCC3)cc(O)c(O)c21 ZINC001229196409 1097275419 /nfs/dbraw/zinc/27/54/19/1097275419.db2.gz DGHBGJNDYFKZBS-UHFFFAOYSA-N 0 0 324.332 3.195 20 10 DGCDRN CC[C@H](C)Oc1cc(O)c(O)c2c1C(=O)c1ccccc1C2=O ZINC001229196584 1097275595 /nfs/dbraw/zinc/27/55/95/1097275595.db2.gz FWBLOKLVLXNYNB-VIFPVBQESA-N 0 0 312.321 3.051 20 10 DGCDRN Cc1nocc1Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001212722854 1097417297 /nfs/dbraw/zinc/41/72/97/1097417297.db2.gz GVDOMKCQINZLCC-UHFFFAOYSA-N 0 0 320.304 3.208 20 10 DGCDRN Cc1nocc1Nc1cccc2c1C(=O)c1cccc(N)c1C2=O ZINC001212723803 1097434158 /nfs/dbraw/zinc/43/41/58/1097434158.db2.gz IZVFZXLWJXLYOK-UHFFFAOYSA-N 0 0 319.320 3.084 20 10 DGCDRN CCOC(=O)c1ccc2nccc(Nc3ccccc3O)c2c1 ZINC001206207504 1097470120 /nfs/dbraw/zinc/47/01/20/1097470120.db2.gz GLFDNZCMIFATPQ-UHFFFAOYSA-N 0 0 308.337 3.283 20 10 DGCDRN Nc1ccc2c(c1Nc1cccnc1)C(=O)c1ccccc1C2=O ZINC001173856936 1097519849 /nfs/dbraw/zinc/51/98/49/1097519849.db2.gz LKKMCHMZSQEHPP-UHFFFAOYSA-N 0 0 315.332 3.183 20 10 DGCDRN CCCCNC(=O)c1ccc(Nc2cccc(O)c2O)cc1 ZINC001174123370 1097615395 /nfs/dbraw/zinc/61/53/95/1097615395.db2.gz KFSDQZAVQRORNJ-UHFFFAOYSA-N 0 0 300.358 3.371 20 10 DGCDRN O=C(NCc1ccco1)c1ccc(Nc2cccc(O)c2O)cc1 ZINC001174156088 1097628014 /nfs/dbraw/zinc/62/80/14/1097628014.db2.gz CMCCXJXXHWHTOX-UHFFFAOYSA-N 0 0 324.336 3.364 20 10 DGCDRN Cc1ccc(CN(C)Cc2ccccc2O)c(Br)n1 ZINC001249419823 1097696756 /nfs/dbraw/zinc/69/67/56/1097696756.db2.gz NIPDJTGXCRUUJU-UHFFFAOYSA-N 0 0 321.218 3.490 20 10 DGCDRN C[C@H](O)C(=O)Oc1ccc(/N=N/c2ccc(N(C)C)cc2)cc1 ZINC001231253203 1097703371 /nfs/dbraw/zinc/70/33/71/1097703371.db2.gz VGDDUJSBGDNEPB-RUWSDDDDSA-N 0 0 313.357 3.454 20 10 DGCDRN Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C(=O)[O-])cc2O)cn1 ZINC001231455703 1097752801 /nfs/dbraw/zinc/75/28/01/1097752801.db2.gz UEIAPCXTFAMIOC-INIZCTEOSA-N 0 0 312.369 3.131 20 10 DGCDRN O=C1CCN(Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC001231466208 1097755346 /nfs/dbraw/zinc/75/53/46/1097755346.db2.gz OVZSXMGOUVCYCX-UHFFFAOYSA-N 0 0 311.381 3.136 20 10 DGCDRN O=C([O-])c1ccc(O)c(C[N@@H+]2CCc3cc(Cl)ccc3C2)c1 ZINC001231563859 1097779998 /nfs/dbraw/zinc/77/99/98/1097779998.db2.gz FMNWWUCBVIEDEJ-UHFFFAOYSA-N 0 0 317.772 3.302 20 10 DGCDRN CC[N@H+](Cc1cccc(OC)c1)Cc1cc(C(=O)[O-])ccc1O ZINC001231565562 1097780071 /nfs/dbraw/zinc/78/00/71/1097780071.db2.gz GIABDAFTOYNMEG-UHFFFAOYSA-N 0 0 315.369 3.121 20 10 DGCDRN C[N@H+](Cc1ccc(Cl)cc1)Cc1cc(C(=O)[O-])ccc1O ZINC001231565406 1097781025 /nfs/dbraw/zinc/78/10/25/1097781025.db2.gz VBGGFHFJPNVGFF-UHFFFAOYSA-N 0 0 305.761 3.376 20 10 DGCDRN Cc1cc(CN2C[C@H](C)O[C@@](C)(C(F)F)C2)ccc1N(C)C ZINC001174723532 1097819460 /nfs/dbraw/zinc/81/94/60/1097819460.db2.gz CLXUGLLFUMVKGF-SUMWQHHRSA-N 0 0 312.404 3.306 20 10 DGCDRN COc1cc(N(C)C)ccc1CN1CC[C@@H](CF)C(F)(F)C1 ZINC001231847994 1097862614 /nfs/dbraw/zinc/86/26/14/1097862614.db2.gz DCZGRVZCLTVTHH-ZDUSSCGKSA-N 0 0 316.367 3.188 20 10 DGCDRN CC(C)c1nc(CC[N@H+](C)Cc2cccc(Cl)c2[O-])no1 ZINC001231910241 1097890008 /nfs/dbraw/zinc/89/00/08/1097890008.db2.gz KGTBIVQMYLIAGN-UHFFFAOYSA-N 0 0 309.797 3.227 20 10 DGCDRN [O-]c1c(Cl)cccc1CN1CCO[C@H](c2ccncc2)C1 ZINC001231914557 1097892393 /nfs/dbraw/zinc/89/23/93/1097892393.db2.gz NYWLLIWHDQILMD-HNNXBMFYSA-N 0 0 304.777 3.014 20 10 DGCDRN FC1(C2CC2)CN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232198120 1097963780 /nfs/dbraw/zinc/96/37/80/1097963780.db2.gz IPDKFTHBEGRULR-UHFFFAOYSA-N 0 0 324.827 3.111 20 10 DGCDRN CC(C)(C)OC(=O)c1ccc(Nc2ccncc2F)c(O)c1 ZINC001175206901 1097972565 /nfs/dbraw/zinc/97/25/65/1097972565.db2.gz IDDRETJYLVWVMB-UHFFFAOYSA-N 0 0 304.321 3.047 20 10 DGCDRN Cc1nc(N)ncc1Nc1ccc(CCc2ccc(N)cc2)cc1 ZINC001175669562 1098131248 /nfs/dbraw/zinc/13/12/48/1098131248.db2.gz RCTBJRBQOSHNNM-UHFFFAOYSA-N 0 0 319.412 3.478 20 10 DGCDRN Oc1cc(CN2CCSC[C@H]2c2ccccc2)cc(O)c1O ZINC001233012037 1098204607 /nfs/dbraw/zinc/20/46/07/1098204607.db2.gz HVFMUWFBQDKXDD-AWEZNQCLSA-N 0 0 317.410 3.094 20 10 DGCDRN CCOC(=O)c1ccsc1CN(C)Cc1ccccc1O ZINC001233021232 1098205799 /nfs/dbraw/zinc/20/57/99/1098205799.db2.gz DUVKTHAKFMYGEI-UHFFFAOYSA-N 0 0 305.399 3.262 20 10 DGCDRN [O-]c1c(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)ccc(F)c1F ZINC001233077381 1098219425 /nfs/dbraw/zinc/21/94/25/1098219425.db2.gz MBEKKYCJVSPGBE-GFCCVEGCSA-N 0 0 304.340 3.445 20 10 DGCDRN COc1ccc2c(c1)C[N@@H+](Cc1ccc(F)c(F)c1[O-])CC2 ZINC001233074820 1098219693 /nfs/dbraw/zinc/21/96/93/1098219693.db2.gz XQOKVNMGJGQZRL-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN CCCN(CC(=O)OCC)Cc1cc(C(C)(C)C)ccc1O ZINC001233287128 1098276217 /nfs/dbraw/zinc/27/62/17/1098276217.db2.gz XQIBOAMCLLIAPF-UHFFFAOYSA-N 0 0 307.434 3.465 20 10 DGCDRN COc1cc(Cl)cc(CN2CCc3ncc(C)cc3C2)c1O ZINC001233290410 1098278224 /nfs/dbraw/zinc/27/82/24/1098278224.db2.gz AWFLDUXHEKJHSZ-UHFFFAOYSA-N 0 0 318.804 3.316 20 10 DGCDRN COc1cc(Cl)cc(CN2CCC[C@H]2c2ncccn2)c1O ZINC001233290880 1098278415 /nfs/dbraw/zinc/27/84/15/1098278415.db2.gz AYFPXHHOJLXJJI-ZDUSSCGKSA-N 0 0 319.792 3.181 20 10 DGCDRN Cc1cccnc1O[C@@H]1CC[N@H+](Cc2c([O-])ccc(F)c2F)C1 ZINC001233336239 1098294693 /nfs/dbraw/zinc/29/46/93/1098294693.db2.gz DWMAWTHLYDMFDO-GFCCVEGCSA-N 0 0 320.339 3.027 20 10 DGCDRN Nc1ccc(N(CCO)c2ccc(O)cc2C(F)(F)F)cc1 ZINC001176339261 1098316833 /nfs/dbraw/zinc/31/68/33/1098316833.db2.gz UGZKLFGIXSQPCQ-UHFFFAOYSA-N 0 0 312.291 3.124 20 10 DGCDRN CC1(C)C[N@H+](Cc2cccc(C(F)(F)F)c2[O-])[C@@](C)(CO)C1 ZINC001233415834 1098323464 /nfs/dbraw/zinc/32/34/64/1098323464.db2.gz JWZHDYQTEPZXPB-OAHLLOKOSA-N 0 0 317.351 3.394 20 10 DGCDRN COCC1CC[NH+](Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233415775 1098323982 /nfs/dbraw/zinc/32/39/82/1098323982.db2.gz IJGYTVOJOFFMBG-UHFFFAOYSA-N 0 0 303.324 3.269 20 10 DGCDRN Oc1cc(O)c(CN2CCC[C@H]2c2ccc(F)cc2F)cc1O ZINC001233486297 1098348323 /nfs/dbraw/zinc/34/83/23/1098348323.db2.gz HMNBSEGIAMRMJR-AWEZNQCLSA-N 0 0 321.323 3.419 20 10 DGCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@@H](CCC)C(=O)OCC ZINC001233497515 1098351791 /nfs/dbraw/zinc/35/17/91/1098351791.db2.gz OEOLPVIMWDSMSO-HNNXBMFYSA-N 0 0 324.373 3.191 20 10 DGCDRN CCOC(=O)[C@H]1CC[C@@H](Oc2ccc3c(c2)CCN3CC)C1 ZINC001233601753 1098387127 /nfs/dbraw/zinc/38/71/27/1098387127.db2.gz MNIFDCBYOLAYBN-LSDHHAIUSA-N 0 0 303.402 3.180 20 10 DGCDRN CCSCc1ccc(C(=O)NCc2cccc(O)c2O)cc1 ZINC001176564523 1098387922 /nfs/dbraw/zinc/38/79/22/1098387922.db2.gz BPDXEYCBUOHHPJ-UHFFFAOYSA-N 0 0 317.410 3.281 20 10 DGCDRN CN(C)c1ccc(CN2CCn3nc(C(C)(C)C)cc3C2)cc1 ZINC001176735639 1098415471 /nfs/dbraw/zinc/41/54/71/1098415471.db2.gz ZNZGZOQLBFEBSC-UHFFFAOYSA-N 0 0 312.461 3.262 20 10 DGCDRN COCC1CC[NH+](Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233727866 1098416579 /nfs/dbraw/zinc/41/65/79/1098416579.db2.gz QGNROQOTKYFNKO-UHFFFAOYSA-N 0 0 319.323 3.149 20 10 DGCDRN COC1(C)CC[NH+](Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233726324 1098416899 /nfs/dbraw/zinc/41/68/99/1098416899.db2.gz CELGFIPNLJEBRI-UHFFFAOYSA-N 0 0 319.323 3.292 20 10 DGCDRN Cc1nc2ccccc2n1CC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001177132621 1098482040 /nfs/dbraw/zinc/48/20/40/1098482040.db2.gz IWRBSMWLSBYEIZ-UHFFFAOYSA-N 0 0 317.339 3.118 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(c2ccncc2)CC1 ZINC001177609401 1098564408 /nfs/dbraw/zinc/56/44/08/1098564408.db2.gz JLKFDWCQLNMCOH-UHFFFAOYSA-N 0 0 323.440 3.228 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1OC[C@H]1CCc2ccccc2O1 ZINC001234473829 1098564787 /nfs/dbraw/zinc/56/47/87/1098564787.db2.gz KLGCKKJNAITZJP-CYBMUJFWSA-N 0 0 314.337 3.073 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@H](CO)CC3)c2c1 ZINC001234526358 1098580708 /nfs/dbraw/zinc/58/07/08/1098580708.db2.gz UIRYVOOCIQHFIE-AWEZNQCLSA-N 0 0 315.413 3.148 20 10 DGCDRN Cc1ccn2cc(C[NH2+]Cc3cc(Cl)cc(F)c3[O-])nc2c1 ZINC001177733181 1098593824 /nfs/dbraw/zinc/59/38/24/1098593824.db2.gz HCUVKFDDWMRYQS-UHFFFAOYSA-N 0 0 319.767 3.431 20 10 DGCDRN CC[N@H+](Cc1c(O)ccc2ccc(OC)cc21)CC(C)(C)O ZINC001234562502 1098602673 /nfs/dbraw/zinc/60/26/73/1098602673.db2.gz OQBLMFCFKINXQI-UHFFFAOYSA-N 0 0 303.402 3.147 20 10 DGCDRN O=C1CCN(Cc2cccc(-c3ccccc3)c2O)CC1(F)F ZINC001234994039 1098737874 /nfs/dbraw/zinc/73/78/74/1098737874.db2.gz DSJUEBOPGWZGEW-UHFFFAOYSA-N 0 0 317.335 3.469 20 10 DGCDRN Cc1c(C[NH2+]Cc2cc(F)cc(F)c2[O-])cccc1[N+](=O)[O-] ZINC001178478337 1098846503 /nfs/dbraw/zinc/84/65/03/1098846503.db2.gz VYKJTGZZAWQYAU-UHFFFAOYSA-N 0 0 308.284 3.177 20 10 DGCDRN CSCC[N@H+](C)Cc1cc(F)cc(Br)c1[O-] ZINC001235304847 1098951274 /nfs/dbraw/zinc/95/12/74/1098951274.db2.gz DMSMCMVLKHCCGS-UHFFFAOYSA-N 0 0 308.216 3.089 20 10 DGCDRN CC(C)(C)c1nc[nH]c1C(=O)NCc1c(O)ccc2ccccc21 ZINC001179032884 1099006113 /nfs/dbraw/zinc/00/61/13/1099006113.db2.gz QJNRKULXKUZPHU-UHFFFAOYSA-N 0 0 323.396 3.496 20 10 DGCDRN CC[C@H](C)[C@@H](OC)C(=O)NCc1c(O)ccc2ccccc21 ZINC001179033581 1099006588 /nfs/dbraw/zinc/00/65/88/1099006588.db2.gz YWDIZSDARCZRCZ-YVEFUNNKSA-N 0 0 301.386 3.223 20 10 DGCDRN C[C@@H]1C(=O)CC[C@H]1CC(=O)NCc1c(O)ccc2ccccc21 ZINC001179032496 1099006714 /nfs/dbraw/zinc/00/67/14/1099006714.db2.gz IWMZCHDSDBHQGV-JSGCOSHPSA-N 0 0 311.381 3.167 20 10 DGCDRN CCCCC[C@@H](O)C(=O)NCc1c(O)ccc2ccccc21 ZINC001179033555 1099006774 /nfs/dbraw/zinc/00/67/74/1099006774.db2.gz YFXGVNDECKHODN-QGZVFWFLSA-N 0 0 301.386 3.103 20 10 DGCDRN CC(C)[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cccnc1 ZINC001179691599 1099165071 /nfs/dbraw/zinc/16/50/71/1099165071.db2.gz XAWQEECTZTUTID-IWHGQQBYSA-N 0 0 312.369 3.020 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cnc2ccc(O)cc2c1 ZINC001179682918 1099176216 /nfs/dbraw/zinc/17/62/16/1099176216.db2.gz CZACGZHTDOSBEQ-QHHAFSJGSA-N 0 0 322.320 3.004 20 10 DGCDRN CC(C)(C)Cc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)on1 ZINC001179683125 1099176576 /nfs/dbraw/zinc/17/65/76/1099176576.db2.gz FNDJEZRPIWLDPZ-FNORWQNLSA-N 0 0 316.357 3.326 20 10 DGCDRN COc1nccc(CN(C)Cc2ccc(N(C)C)cc2)c1Cl ZINC001235836980 1099201175 /nfs/dbraw/zinc/20/11/75/1099201175.db2.gz FYRHXNWAWWPUGP-UHFFFAOYSA-N 0 0 319.836 3.442 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2cccc(N)c2)C1 ZINC001235839216 1099202246 /nfs/dbraw/zinc/20/22/46/1099202246.db2.gz NMTOWMIPTJDXPM-UHFFFAOYSA-N 0 0 321.424 3.327 20 10 DGCDRN [O-]c1c(Cl)cccc1CN1CC[NH2+]C[C@H]1Cc1ccccc1 ZINC001235849900 1099208448 /nfs/dbraw/zinc/20/84/48/1099208448.db2.gz PZYARTHVHRFETN-MRXNPFEDSA-N 0 0 316.832 3.062 20 10 DGCDRN CN(C)c1ccc(C=CC(=O)Nc2c[nH]c(Cl)cc2=O)cc1 ZINC001180123373 1099322045 /nfs/dbraw/zinc/32/20/45/1099322045.db2.gz RLNDRNTYILBRIO-VMPITWQZSA-N 0 0 317.776 3.159 20 10 DGCDRN Cc1ccccc1O[C@@H](C)C(=O)N1CCc2cccc(O)c2C1 ZINC001180520015 1099437321 /nfs/dbraw/zinc/43/73/21/1099437321.db2.gz DFHMCUPEIVZVAY-AWEZNQCLSA-N 0 0 311.381 3.053 20 10 DGCDRN O=C(Nc1cc(F)cc(F)c1)N1CCc2cccc(O)c2C1 ZINC001187563359 1099550462 /nfs/dbraw/zinc/55/04/62/1099550462.db2.gz MFOBZVTYJVYIBY-UHFFFAOYSA-N 0 0 304.296 3.261 20 10 DGCDRN Cc1cc(NCc2c(O)cccc2F)nc(-c2cccs2)n1 ZINC001187676811 1099570851 /nfs/dbraw/zinc/57/08/51/1099570851.db2.gz FQLRRULSSPJDDR-UHFFFAOYSA-N 0 0 315.373 3.392 20 10 DGCDRN Cc1cc(Br)cc(NCc2c(O)cccc2O)n1 ZINC001187717107 1099585355 /nfs/dbraw/zinc/58/53/55/1099585355.db2.gz QGBLHYQEXBMQTN-UHFFFAOYSA-N 0 0 309.163 3.176 20 10 DGCDRN Oc1ccc(OCc2ccccc2)cc1C[N@@H+]1CCCOCC1 ZINC001236794084 1099787186 /nfs/dbraw/zinc/78/71/86/1099787186.db2.gz XCYRWXQKCIRJJZ-UHFFFAOYSA-N 0 0 313.397 3.194 20 10 DGCDRN Cn1cc(C[N@H+](C)Cc2cc(Cl)c(Cl)cc2[O-])cn1 ZINC001236794988 1099791371 /nfs/dbraw/zinc/79/13/71/1099791371.db2.gz ZBIJDKVLIUYOGD-UHFFFAOYSA-N 0 0 300.189 3.065 20 10 DGCDRN CCc1ccc(C[N@@H+]2CCC[C@H](Oc3cccnc3)C2)c(O)c1 ZINC001236795232 1099791870 /nfs/dbraw/zinc/79/18/70/1099791870.db2.gz SFLAOOUDQXUUEO-SFHVURJKSA-N 0 0 312.413 3.393 20 10 DGCDRN COc1cc(O)c(CN2CC[C@@H](CF)C(F)(F)C2)c(Cl)c1 ZINC001236800465 1099795033 /nfs/dbraw/zinc/79/50/33/1099795033.db2.gz ZETFUTJUOQVPSW-VIFPVBQESA-N 0 0 323.742 3.481 20 10 DGCDRN CCN(Cc1ccccn1)Cc1c(O)cc(OC)cc1Cl ZINC001236803359 1099797250 /nfs/dbraw/zinc/79/72/50/1099797250.db2.gz MMKNMYCJAZFMPN-UHFFFAOYSA-N 0 0 306.793 3.471 20 10 DGCDRN COc1ccc(C[N@@H+]2CC[C@H](C)[C@@](C)(O)CC2)c([O-])c1Cl ZINC001236801483 1099797589 /nfs/dbraw/zinc/79/75/89/1099797589.db2.gz JWWGZZSIMGCLKZ-ZBEGNZNMSA-N 0 0 313.825 3.037 20 10 DGCDRN COc1cc(C)c(CN2CC(Oc3ccc(F)cc3)C2)c(O)c1 ZINC001236810850 1099799520 /nfs/dbraw/zinc/79/95/20/1099799520.db2.gz KDOQECFUKBIFFY-UHFFFAOYSA-N 0 0 317.360 3.112 20 10 DGCDRN COc1cc(C)c(C[NH+]2CCC(c3cccnc3)CC2)c(O)c1 ZINC001236820482 1099804797 /nfs/dbraw/zinc/80/47/97/1099804797.db2.gz MCDQEGQPXAJKTB-UHFFFAOYSA-N 0 0 312.413 3.484 20 10 DGCDRN CC(C)c1ccc(CN2CCN(CC(F)(F)F)CC2)c(O)c1 ZINC001237048095 1099941763 /nfs/dbraw/zinc/94/17/63/1099941763.db2.gz CVRQZASNTCPWAA-UHFFFAOYSA-N 0 0 316.367 3.196 20 10 DGCDRN CC(=O)[C@H]1CCCCN1Cc1c(O)cccc1OC(F)(F)F ZINC001237114031 1099978348 /nfs/dbraw/zinc/97/83/48/1099978348.db2.gz GHWZWEJNKAYFHS-GFCCVEGCSA-N 0 0 317.307 3.234 20 10 DGCDRN CN(Cc1ccccn1)Cc1c(O)cccc1OC(F)(F)F ZINC001237119372 1099978788 /nfs/dbraw/zinc/97/87/88/1099978788.db2.gz GGXXWJZCTAOMPL-UHFFFAOYSA-N 0 0 312.291 3.318 20 10 DGCDRN C[N@H+](Cc1ccncc1)Cc1c(O)cccc1OC(F)(F)F ZINC001237121716 1099982536 /nfs/dbraw/zinc/98/25/36/1099982536.db2.gz YPIBJJXOWCLRCT-UHFFFAOYSA-N 0 0 312.291 3.318 20 10 DGCDRN C[C@@]1(CO)CCC[N@H+](Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237122332 1099982722 /nfs/dbraw/zinc/98/27/22/1099982722.db2.gz TXVHZWSMBDLJIJ-OAHLLOKOSA-N 0 0 301.789 3.169 20 10 DGCDRN Oc1cccc(OC(F)(F)F)c1CN1CCc2cnccc2C1 ZINC001237120397 1099982987 /nfs/dbraw/zinc/98/29/87/1099982987.db2.gz OTBCALFECWDCED-UHFFFAOYSA-N 0 0 324.302 3.244 20 10 DGCDRN Oc1ccc(F)c(Cl)c1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001237127107 1099984805 /nfs/dbraw/zinc/98/48/05/1099984805.db2.gz VAMNCVPAFALLHX-GFCCVEGCSA-N 0 0 312.816 3.245 20 10 DGCDRN CC(=O)c1cccc(S(=O)(=O)Nc2ccc(O)c(C)c2C)c1 ZINC001189232408 1099985296 /nfs/dbraw/zinc/98/52/96/1099985296.db2.gz JYVAFUCUSZRPAP-UHFFFAOYSA-N 0 0 319.382 3.012 20 10 DGCDRN Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC001237139491 1099990705 /nfs/dbraw/zinc/99/07/05/1099990705.db2.gz GOMXGPUMQCLDGM-AWEZNQCLSA-N 0 0 301.308 3.166 20 10 DGCDRN Cc1cc(O)c(CN(C2CCC2)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC001237157722 1100007605 /nfs/dbraw/zinc/00/76/05/1100007605.db2.gz VMUQVRDXXAMVBV-OAHLLOKOSA-N 0 0 308.853 3.461 20 10 DGCDRN CCOC(=O)CN(Cc1ccccc1)Cc1c(C)cccc1O ZINC001237483783 1100139096 /nfs/dbraw/zinc/13/90/96/1100139096.db2.gz UGAYEXYMMWSSPU-UHFFFAOYSA-N 0 0 313.397 3.266 20 10 DGCDRN CCOCc1cnc2n1CCN(Cc1c(C)cccc1O)[C@@H]2C ZINC001237486162 1100139941 /nfs/dbraw/zinc/13/99/41/1100139941.db2.gz OQTQUSWRSXBGTG-CQSZACIVSA-N 0 0 315.417 3.010 20 10 DGCDRN CCc1nc(C(=O)N(CC)Cc2ccc(N(C)C)cc2)cs1 ZINC001190040762 1100191175 /nfs/dbraw/zinc/19/11/75/1100191175.db2.gz MQGMZJPMBNJEOU-UHFFFAOYSA-N 0 0 317.458 3.434 20 10 DGCDRN Cc1cc(O)c(CN2CCC(=O)C[C@@H]2C)cc1Br ZINC001237678078 1100211657 /nfs/dbraw/zinc/21/16/57/1100211657.db2.gz RVDBVEWACUVZQK-JTQLQIEISA-N 0 0 312.207 3.017 20 10 DGCDRN CCCOC1CN(Cc2cc(Br)c(C)cc2O)C1 ZINC001237679620 1100213219 /nfs/dbraw/zinc/21/32/19/1100213219.db2.gz SMNFISTZPKMWEY-UHFFFAOYSA-N 0 0 314.223 3.074 20 10 DGCDRN CCN(CC[NH+]1CCCCC1)Cc1cc(F)cc(Cl)c1[O-] ZINC001237806911 1100253290 /nfs/dbraw/zinc/25/32/90/1100253290.db2.gz XGUUWNAAWURHHL-UHFFFAOYSA-N 0 0 314.832 3.493 20 10 DGCDRN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC001237939266 1100299247 /nfs/dbraw/zinc/29/92/47/1100299247.db2.gz ADSKUVNDLZCRDQ-ZDUSSCGKSA-N 0 0 322.767 3.233 20 10 DGCDRN COc1cc2c(cn1)CCN(Cc1cc(F)c(Cl)cc1O)C2 ZINC001237944854 1100299919 /nfs/dbraw/zinc/29/99/19/1100299919.db2.gz WSKNFBDJDUNWAO-UHFFFAOYSA-N 0 0 322.767 3.147 20 10 DGCDRN Cc1nc([C@@H]2COCCN2Cc2cc(F)cc(C)c2O)cs1 ZINC001238063258 1100345728 /nfs/dbraw/zinc/34/57/28/1100345728.db2.gz YZMFXBGUMDTZIM-HNNXBMFYSA-N 0 0 322.405 3.178 20 10 DGCDRN Cc1cc(F)cc(CN2CC(Oc3ccc(F)c(F)c3)C2)c1O ZINC001238062821 1100347032 /nfs/dbraw/zinc/34/70/32/1100347032.db2.gz SJNHQHHGHJJWPU-UHFFFAOYSA-N 0 0 323.314 3.381 20 10 DGCDRN COC(=O)CN(Cc1ccccc1)Cc1cc(F)cc(C)c1O ZINC001238068964 1100347297 /nfs/dbraw/zinc/34/72/97/1100347297.db2.gz HHIRVNGJOZYPNR-UHFFFAOYSA-N 0 0 317.360 3.015 20 10 DGCDRN Cc1c(C(=O)NCc2c(C)cc(C)cc2O)cnn1C(C)(C)C ZINC001190840803 1100347401 /nfs/dbraw/zinc/34/74/01/1100347401.db2.gz LSQKYZNJMJGBFB-UHFFFAOYSA-N 0 0 315.417 3.199 20 10 DGCDRN COc1cc(CN2CCc3cccc(O)c3C2)c(Cl)cn1 ZINC001238355170 1100424308 /nfs/dbraw/zinc/42/43/08/1100424308.db2.gz UPNQEBDXFJICJT-UHFFFAOYSA-N 0 0 304.777 3.008 20 10 DGCDRN Cc1cc(C)c(CNC(=O)NCCCc2ccccc2)c(O)c1 ZINC001191226748 1100434853 /nfs/dbraw/zinc/43/48/53/1100434853.db2.gz BVIKCWJKAMWVSW-UHFFFAOYSA-N 0 0 312.413 3.441 20 10 DGCDRN O=c1cc(-c2ccc(C3CC3)nc2)ccn1Cc1ccccn1 ZINC001238856707 1100546010 /nfs/dbraw/zinc/54/60/10/1100546010.db2.gz UUQHNLJKCRILBO-UHFFFAOYSA-N 0 0 303.365 3.231 20 10 DGCDRN O=c1cc(-c2ccc(C3CC3)nc2)ccn1Cc1cccnc1 ZINC001238856658 1100546133 /nfs/dbraw/zinc/54/61/33/1100546133.db2.gz RQBRPGARFIWDKL-UHFFFAOYSA-N 0 0 303.365 3.231 20 10 DGCDRN COC(=O)c1cc2ccc(-c3cnn(C(F)F)c3)cc2n1C ZINC001238867017 1100548362 /nfs/dbraw/zinc/54/83/62/1100548362.db2.gz OFYJLLWUOOMNLS-UHFFFAOYSA-N 0 0 305.284 3.224 20 10 DGCDRN Cc1c(C)c(NS(=O)(=O)C(Cl)(Cl)Cl)ccc1O ZINC001192034455 1100565135 /nfs/dbraw/zinc/56/51/35/1100565135.db2.gz GTLFDOYFVZOOIL-UHFFFAOYSA-N 0 0 318.609 3.078 20 10 DGCDRN CC(C)(C)C(=O)OCn1ccc2c1ncnc2-c1cccnc1 ZINC001239566568 1100690765 /nfs/dbraw/zinc/69/07/65/1100690765.db2.gz KSAZQJGACVJEHG-UHFFFAOYSA-N 0 0 310.357 3.040 20 10 DGCDRN CC[C@H](C)C1CCC(NC(=O)c2cc(O)c(O)c(OC)c2)CC1 ZINC001193120340 1100708325 /nfs/dbraw/zinc/70/83/25/1100708325.db2.gz UHJACWPXVUUFOX-DCBWTQNWSA-N 0 0 321.417 3.441 20 10 DGCDRN O=C(Nc1cnc2occc2c1)c1ccc(O)c(O)c1Cl ZINC001193220096 1100718290 /nfs/dbraw/zinc/71/82/90/1100718290.db2.gz QNWTXWADSONXLS-UHFFFAOYSA-N 0 0 304.689 3.145 20 10 DGCDRN O=C(N[C@@H]1CCCC(F)(F)C1)c1ccc(O)c(O)c1Cl ZINC001193236467 1100719588 /nfs/dbraw/zinc/71/95/88/1100719588.db2.gz DPLFPPOFDZVJJZ-SSDOTTSWSA-N 0 0 305.708 3.059 20 10 DGCDRN CCOC(=O)c1cc2c(cc(C)nc2-c2c(C)n[nH]c2C)n1C ZINC001240124560 1100873300 /nfs/dbraw/zinc/87/33/00/1100873300.db2.gz QMWZGJKELATCIQ-UHFFFAOYSA-N 0 0 312.373 3.065 20 10 DGCDRN CSc1cncc(C(=O)NCc2c(C)cc(C)cc2O)c1 ZINC001194097865 1100873498 /nfs/dbraw/zinc/87/34/98/1100873498.db2.gz QLCUGQVRCYWMHY-UHFFFAOYSA-N 0 0 302.399 3.056 20 10 DGCDRN Cc1n[nH]c(C)c1-c1ncnc2c1ccn2Cc1ccccc1 ZINC001240124165 1100873486 /nfs/dbraw/zinc/87/34/86/1100873486.db2.gz HMENFYGHBHCSFU-UHFFFAOYSA-N 0 0 303.369 3.487 20 10 DGCDRN CCN(c1ccccc1)c1cc(-c2ccc3ncnn3c2)ncn1 ZINC001240354563 1100956299 /nfs/dbraw/zinc/95/62/99/1100956299.db2.gz GSTOXJMRUNQDHE-UHFFFAOYSA-N 0 0 316.368 3.344 20 10 DGCDRN Cn1c(=O)ccc2ccc(-c3cnn([C@H]4CCCCO4)c3)cc21 ZINC001240682105 1101095362 /nfs/dbraw/zinc/09/53/62/1101095362.db2.gz TYCUKTJSGIHBKL-GOSISDBHSA-N 0 0 309.369 3.101 20 10 DGCDRN COc1ccccc1OC(=O)NCc1c(C)cc(C)cc1O ZINC001195291546 1101116601 /nfs/dbraw/zinc/11/66/01/1101116601.db2.gz BLXNSAUOMPOQHL-UHFFFAOYSA-N 0 0 301.342 3.306 20 10 DGCDRN Cc1cc2c(cccc2-c2ccc(N3CCOCC3)nc2)n1C ZINC001240998718 1101215578 /nfs/dbraw/zinc/21/55/78/1101215578.db2.gz LFSPIUQITKRNLL-UHFFFAOYSA-N 0 0 307.397 3.385 20 10 DGCDRN Cc1cc(OCc2ccccc2)ncc1-c1ccn(C)c(=O)c1 ZINC001240998281 1101215976 /nfs/dbraw/zinc/21/59/76/1101215976.db2.gz QUWGVFDHMIVPBP-UHFFFAOYSA-N 0 0 306.365 3.335 20 10 DGCDRN Oc1cccc(NC(=S)NCc2cccc(Cl)c2)c1O ZINC001195980418 1101228856 /nfs/dbraw/zinc/22/88/56/1101228856.db2.gz XWLPBRFVYNXRJY-UHFFFAOYSA-N 0 0 308.790 3.238 20 10 DGCDRN CCN(Cc1ccccc1O)C(=S)NCc1ccc(F)cc1 ZINC001196483790 1101316057 /nfs/dbraw/zinc/31/60/57/1101316057.db2.gz RYRQPFBFHGEUNB-UHFFFAOYSA-N 0 0 318.417 3.428 20 10 DGCDRN C[C@@H](NC(=S)NCc1ccc(F)cc1)c1ccccc1O ZINC001196508659 1101325314 /nfs/dbraw/zinc/32/53/14/1101325314.db2.gz TXEADASZETUWHK-LLVKDONJSA-N 0 0 304.390 3.257 20 10 DGCDRN COC(=O)c1ncc(F)cc1C1=CCN(c2ccccc2)CC1 ZINC001241354556 1101398595 /nfs/dbraw/zinc/39/85/95/1101398595.db2.gz LVRSDIWGBZKODN-UHFFFAOYSA-N 0 0 312.344 3.301 20 10 DGCDRN O=C1CSc2ncc(C3=CCN(c4ccccc4)CC3)cc2N1 ZINC001241355780 1101399361 /nfs/dbraw/zinc/39/93/61/1101399361.db2.gz PSCUEPNJCGZFAH-UHFFFAOYSA-N 0 0 323.421 3.420 20 10 DGCDRN c1ccc(N2CC=C(c3cnc(N4CCCC4)cn3)CC2)cc1 ZINC001241355881 1101400394 /nfs/dbraw/zinc/40/03/94/1101400394.db2.gz TZMVWFDPCUNKNO-UHFFFAOYSA-N 0 0 306.413 3.371 20 10 DGCDRN COC(=O)Cc1ccncc1C1=CCN(c2ccccc2)CC1 ZINC001241355336 1101400437 /nfs/dbraw/zinc/40/04/37/1101400437.db2.gz LLSFXMNUECWQSJ-UHFFFAOYSA-N 0 0 308.381 3.091 20 10 DGCDRN Nc1ccc(N(CCO)C2=CC[C@H](C(F)(F)F)CC2)cc1 ZINC001196889119 1101416720 /nfs/dbraw/zinc/41/67/20/1101416720.db2.gz XYGRKSJISFXTDT-NSHDSACASA-N 0 0 300.324 3.314 20 10 DGCDRN CN(c1ccccc1)c1cc(-c2cnc3n[nH]cc3c2)ncn1 ZINC001241424132 1101449052 /nfs/dbraw/zinc/44/90/52/1101449052.db2.gz XFBFUTCCQRJVBO-UHFFFAOYSA-N 0 0 302.341 3.183 20 10 DGCDRN C[C@H]1CC[C@@H](C[NH3+])N(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001205804631 1101561620 /nfs/dbraw/zinc/56/16/20/1101561620.db2.gz NZPLBTOGHMRPNN-CABZTGNLSA-N 0 0 303.233 3.258 20 10 DGCDRN COc1ccc(NC(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001197876617 1101689223 /nfs/dbraw/zinc/68/92/23/1101689223.db2.gz KQZPHJJWOGUZDV-UHFFFAOYSA-N 0 0 306.749 3.376 20 10 DGCDRN Cn1ccc2c1cccc2-c1ccc(CN2CCOCC2)nc1 ZINC001241822871 1101728085 /nfs/dbraw/zinc/72/80/85/1101728085.db2.gz RADABJPGGPLODT-UHFFFAOYSA-N 0 0 307.397 3.073 20 10 DGCDRN Cn1ccc2c1cccc2-c1cncc(CN2CCOCC2)c1 ZINC001241822912 1101728589 /nfs/dbraw/zinc/72/85/89/1101728589.db2.gz SMWMRJRJUOYBND-UHFFFAOYSA-N 0 0 307.397 3.073 20 10 DGCDRN Cn1ccc2c1cccc2-c1ccc(=O)n(Cc2ccncc2)c1 ZINC001241824847 1101730388 /nfs/dbraw/zinc/73/03/88/1101730388.db2.gz YBMCGPBZFSHWDH-UHFFFAOYSA-N 0 0 315.376 3.450 20 10 DGCDRN C=CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC001198566708 1101907804 /nfs/dbraw/zinc/90/78/04/1101907804.db2.gz JLZINWPSCKHGQS-UHFFFAOYSA-N 0 0 321.785 3.456 20 10 DGCDRN CC(C)c1ccc(NC(=S)NCc2ncccc2O)cc1 ZINC001198635939 1101937549 /nfs/dbraw/zinc/93/75/49/1101937549.db2.gz MXJIPHSWMAZSGE-UHFFFAOYSA-N 0 0 301.415 3.397 20 10 DGCDRN Cn1c(=O)cnc2ccc(-c3cnccc3C(F)(F)F)cc21 ZINC001242279727 1102022808 /nfs/dbraw/zinc/02/28/08/1102022808.db2.gz QTWTUACNVCDPNP-UHFFFAOYSA-N 0 0 305.259 3.014 20 10 DGCDRN COCCCn1cc(-c2cc(N(C)c3ccccc3)ncn2)cn1 ZINC001242487450 1102165000 /nfs/dbraw/zinc/16/50/00/1102165000.db2.gz UDHTYSVPADSPSP-UHFFFAOYSA-N 0 0 323.400 3.145 20 10 DGCDRN CN(C)c1cncc(-c2ccn(Cc3ccccc3)c(=O)c2)c1 ZINC001242527575 1102188804 /nfs/dbraw/zinc/18/88/04/1102188804.db2.gz DNBMQTQYIJRENP-UHFFFAOYSA-N 0 0 305.381 3.025 20 10 DGCDRN Cn1c(=O)cc(-c2ccccc2-n2cccn2)c2ccccc21 ZINC001242713496 1102303392 /nfs/dbraw/zinc/30/33/92/1102303392.db2.gz XAIOMGFFDCCQLH-UHFFFAOYSA-N 0 0 301.349 3.391 20 10 DGCDRN Cc1ccc(F)c(CNC(=S)Nc2ccc(F)cc2F)n1 ZINC001200936535 1102443067 /nfs/dbraw/zinc/44/30/67/1102443067.db2.gz MDJJBXIYDUPWPY-UHFFFAOYSA-N 0 0 311.332 3.294 20 10 DGCDRN COc1cc(SC)c(-c2ccc3ccc(=O)n(C)c3c2)cn1 ZINC001243052787 1102499805 /nfs/dbraw/zinc/49/98/05/1102499805.db2.gz BXJUSNNNJBIJGU-UHFFFAOYSA-N 0 0 312.394 3.331 20 10 DGCDRN CCc1ccccc1NC(=S)NCc1cccc(O)c1O ZINC001201154690 1102501697 /nfs/dbraw/zinc/50/16/97/1102501697.db2.gz QZJLOKSHORHPBY-UHFFFAOYSA-N 0 0 302.399 3.147 20 10 DGCDRN CC(C)Nc1ccc(Nc2cc(N)ccc2OCCO)cc1 ZINC001201497410 1102611860 /nfs/dbraw/zinc/61/18/60/1102611860.db2.gz GUMNXXSOICZOBG-UHFFFAOYSA-N 0 0 301.390 3.204 20 10 DGCDRN O=C(Nc1ccc(F)cc1)N1CCCc2cc(O)c(O)cc2C1 ZINC001202352108 1102952940 /nfs/dbraw/zinc/95/29/40/1102952940.db2.gz NIWUBCLMZNEJHO-UHFFFAOYSA-N 0 0 316.332 3.217 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000687288328 1103091238 /nfs/dbraw/zinc/09/12/38/1103091238.db2.gz AGGGXVVYXBEJKI-LLVKDONJSA-N 0 0 309.715 3.199 20 10 DGCDRN Cc1cc(C)c(N)c(-c2ccn(Cc3ccncc3)c(=O)c2)c1 ZINC001244614712 1103566071 /nfs/dbraw/zinc/56/60/71/1103566071.db2.gz SOLLAVAHEDZSKF-UHFFFAOYSA-N 0 0 305.381 3.158 20 10 DGCDRN CO[C@@H](CSc1ncc(-c2ccccc2)n1C)[C@@H]1CCOC1 ZINC001327518617 1103670671 /nfs/dbraw/zinc/67/06/71/1103670671.db2.gz RZXFTMDQSOILSF-ZBFHGGJFSA-N 0 0 318.442 3.231 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC001327604973 1103692116 /nfs/dbraw/zinc/69/21/16/1103692116.db2.gz DNZKWLQKSOGEOI-GAQJKIJGSA-N 0 0 312.316 3.385 20 10 DGCDRN CCCC(=O)c1ncccc1NCc1ccc(OC)cc1O ZINC001327697519 1103710664 /nfs/dbraw/zinc/71/06/64/1103710664.db2.gz GRYGFUFSYZDELV-UHFFFAOYSA-N 0 0 300.358 3.391 20 10 DGCDRN OC[C@@H]1Cc2ccccc2N(Cc2ccc(N3CCCC3)cc2)C1 ZINC001327740304 1103718954 /nfs/dbraw/zinc/71/89/54/1103718954.db2.gz MBMAAGPIOIHIFJ-GOSISDBHSA-N 0 0 322.452 3.458 20 10 DGCDRN Cn1c(=O)cnc2ccc(-c3c(Cl)ccnc3Cl)cc21 ZINC001244939543 1103770750 /nfs/dbraw/zinc/77/07/50/1103770750.db2.gz QMEMPDYJTBCWGJ-UHFFFAOYSA-N 0 0 306.152 3.302 20 10 DGCDRN COc1cc(-c2ccn(Cc3ccccc3)c(=O)c2)cnc1F ZINC001245079735 1103846497 /nfs/dbraw/zinc/84/64/97/1103846497.db2.gz TUUWPUZDSWKCTQ-UHFFFAOYSA-N 0 0 310.328 3.106 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCC[C@H](F)C2)c1 ZINC001328144027 1103859742 /nfs/dbraw/zinc/85/97/42/1103859742.db2.gz YOWXWVHFWQWICV-SRVKXCTJSA-N 0 0 310.369 3.042 20 10 DGCDRN Nc1c(Cl)cccc1-c1ccn(Cc2cccnc2)c(=O)c1 ZINC001245181558 1103894478 /nfs/dbraw/zinc/89/44/78/1103894478.db2.gz SVNUODOHYPJHEH-UHFFFAOYSA-N 0 0 311.772 3.194 20 10 DGCDRN Cc1cc(N2CCCCC2)ccc1C1=CCS(=O)(=O)CC1 ZINC001245211914 1103912423 /nfs/dbraw/zinc/91/24/23/1103912423.db2.gz JHDRGWMNZJCTEH-UHFFFAOYSA-N 0 0 305.443 3.187 20 10 DGCDRN CC(C)CNC(=S)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001245213340 1103914435 /nfs/dbraw/zinc/91/44/35/1103914435.db2.gz JCJABFDSYORPET-UHFFFAOYSA-N 0 0 305.491 3.249 20 10 DGCDRN CCCOc1ccc(-c2ccn(Cc3ccncc3)c(=O)c2)cn1 ZINC001245231048 1103920773 /nfs/dbraw/zinc/92/07/73/1103920773.db2.gz OXPJSJPWISFURE-UHFFFAOYSA-N 0 0 321.380 3.142 20 10 DGCDRN C[C@H](NC(=S)N1CCc2cccc(O)c2C1)c1ccccc1 ZINC001245510206 1104094490 /nfs/dbraw/zinc/09/44/90/1104094490.db2.gz QBDVRVDDZBIKEL-ZDUSSCGKSA-N 0 0 312.438 3.386 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCC[C@@H](F)C1 ZINC001329235458 1104196238 /nfs/dbraw/zinc/19/62/38/1104196238.db2.gz FNLVNMCUKLKRCL-HZPDHXFCSA-N 0 0 319.424 3.367 20 10 DGCDRN COc1ccc(-c2ccc3ccc(=O)n(C)c3c2)c(Cl)n1 ZINC001245879485 1104282809 /nfs/dbraw/zinc/28/28/09/1104282809.db2.gz ZIUYRNJBSLFNQI-UHFFFAOYSA-N 0 0 300.745 3.263 20 10 DGCDRN Cc1ccc2c(c1)S[C@@H](C(=O)NCc1cc(C)ccc1O)C2 ZINC001329543170 1104310822 /nfs/dbraw/zinc/31/08/22/1104310822.db2.gz DHNCHIXUYRZNBF-QGZVFWFLSA-N 0 0 313.422 3.342 20 10 DGCDRN CCOc1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3[C@@H](C)CC)cc1 ZINC001274791584 1104491874 /nfs/dbraw/zinc/49/18/74/1104491874.db2.gz VDASHPZKEZMCCX-BMGDILEWSA-N 0 0 316.445 3.454 20 10 DGCDRN CC[C@H](C)N1CC[C@@]2(CCN(c3ccc(OC)c(F)c3)C2)C1=O ZINC001274861148 1104524098 /nfs/dbraw/zinc/52/40/98/1104524098.db2.gz GRKBIXFGJNCCHN-SCLBCKFNSA-N 0 0 320.408 3.062 20 10 DGCDRN C[C@@H](CC(=O)Nc1c2nonc2ccc1Cl)c1ccncc1 ZINC001330418862 1104549807 /nfs/dbraw/zinc/54/98/07/1104549807.db2.gz PBVYLICVOKNKCF-VIFPVBQESA-N 0 0 316.748 3.404 20 10 DGCDRN CS[C@H]1CCC[C@H](NC(=O)NCc2cc(C)ccc2O)C1 ZINC001330699269 1104623432 /nfs/dbraw/zinc/62/34/32/1104623432.db2.gz SWPOFTZTMLVVLA-KBPBESRZSA-N 0 0 308.447 3.174 20 10 DGCDRN Cc1cccc(CNC(=S)Nc2c(F)cccc2F)c1O ZINC001247111286 1104805137 /nfs/dbraw/zinc/80/51/37/1104805137.db2.gz YWAHCZNIGUVASC-UHFFFAOYSA-N 0 0 308.353 3.465 20 10 DGCDRN Cc1cc(F)ccc1-c1noc(Cc2ccc(O)c(O)c2)n1 ZINC001247959821 1105021264 /nfs/dbraw/zinc/02/12/64/1105021264.db2.gz ZRAQYMWLRYVRHQ-UHFFFAOYSA-N 0 0 300.289 3.186 20 10 DGCDRN CCOc1ccccc1-c1noc(Cc2ccc(O)c(O)c2)n1 ZINC001247959754 1105021574 /nfs/dbraw/zinc/02/15/74/1105021574.db2.gz WLGOUMJPEVLROE-UHFFFAOYSA-N 0 0 312.325 3.137 20 10 DGCDRN Oc1ccc(Cc2nc(-c3cnc4c(c3)CCCC4)no2)cc1O ZINC001247961421 1105022739 /nfs/dbraw/zinc/02/27/39/1105022739.db2.gz OSARIATYJHXCOR-UHFFFAOYSA-N 0 0 323.352 3.012 20 10 DGCDRN COc1c(F)c(F)ccc1-c1noc(Cc2ccc(N)cc2)n1 ZINC001248183064 1105063021 /nfs/dbraw/zinc/06/30/21/1105063021.db2.gz CHUOIOGZTFWLAL-UHFFFAOYSA-N 0 0 317.295 3.196 20 10 DGCDRN Cn1c(Br)ccc1CN1CCc2cccc(O)c2C1 ZINC001248776817 1105160505 /nfs/dbraw/zinc/16/05/05/1105160505.db2.gz MFQRGKQAKISSAR-UHFFFAOYSA-N 0 0 321.218 3.052 20 10 DGCDRN CCc1cccc(-c2noc(CCc3ccc(O)c(O)c3)n2)c1 ZINC001248983878 1105208868 /nfs/dbraw/zinc/20/88/68/1105208868.db2.gz ILFIDXQLNOGLOT-UHFFFAOYSA-N 0 0 310.353 3.495 20 10 DGCDRN Cc1ccc(-c2noc(CCc3ccc(O)c(O)c3)n2)cc1F ZINC001248984157 1105208966 /nfs/dbraw/zinc/20/89/66/1105208966.db2.gz OFOMCLDWHZNVCG-UHFFFAOYSA-N 0 0 314.316 3.381 20 10 DGCDRN Cc1c(F)cccc1-c1noc(CCc2ccc(O)c(O)c2)n1 ZINC001248984401 1105210007 /nfs/dbraw/zinc/21/00/07/1105210007.db2.gz QARRUWSIHXRBGQ-UHFFFAOYSA-N 0 0 314.316 3.381 20 10 DGCDRN CC1(C)C=Cc2c(O)c(CN3C[C@@H](F)C[C@H]3CF)ccc2O1 ZINC001249223460 1105249696 /nfs/dbraw/zinc/24/96/96/1105249696.db2.gz HBEKWXQVMHOCEI-STQMWFEESA-N 0 0 309.356 3.458 20 10 DGCDRN Cc1cc(CN2C[C@@H](C)OC[C@@H]2C)c(O)cc1Br ZINC001250136529 1105450969 /nfs/dbraw/zinc/45/09/69/1105450969.db2.gz SJCDDBOIWONWFE-WDEREUQCSA-N 0 0 314.223 3.072 20 10 DGCDRN COc1ccc2c(c1)nc(-c1ccc(N3CCOCC3)cc1)n2C ZINC001250702515 1105563537 /nfs/dbraw/zinc/56/35/37/1105563537.db2.gz HFFPZUYGSNDAEP-UHFFFAOYSA-N 0 0 323.396 3.086 20 10 DGCDRN COc1cccc2[nH]c(-c3ccc(N4CCC(O)CC4)cc3)nc21 ZINC001250857269 1105594809 /nfs/dbraw/zinc/59/48/09/1105594809.db2.gz FHDWEEIYDXCNEN-UHFFFAOYSA-N 0 0 323.396 3.200 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CC(O)(C1CC1)C1CC1 ZINC000689604284 1105641467 /nfs/dbraw/zinc/64/14/67/1105641467.db2.gz WOUKXQSHKYDQMD-UHFFFAOYSA-N 0 0 316.228 3.340 20 10 DGCDRN CCCCOC[C@@H](O)CNc1ccccc1OCC(F)(F)F ZINC001252524504 1105789267 /nfs/dbraw/zinc/78/92/67/1105789267.db2.gz MASXEJUREZVAQE-LBPRGKRZSA-N 0 0 321.339 3.217 20 10 DGCDRN Oc1ccc(Cc2nnc([C@@H]3C[C@H]3c3ccccc3)o2)cc1O ZINC001254568148 1106106094 /nfs/dbraw/zinc/10/60/94/1106106094.db2.gz MSPLXNODQHFGFE-UONOGXRCSA-N 0 0 308.337 3.343 20 10 DGCDRN Cc1snnc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256935380 1106513815 /nfs/dbraw/zinc/51/38/15/1106513815.db2.gz KETQWQBBSPGDAF-UHFFFAOYSA-N 0 0 309.354 3.354 20 10 DGCDRN OCc1ccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)nc1 ZINC001256978486 1106519932 /nfs/dbraw/zinc/51/99/32/1106519932.db2.gz LREDXPIODPKYGS-UHFFFAOYSA-N 0 0 318.336 3.082 20 10 DGCDRN COc1ccc(N(C)Cc2cn(C)nc2C(F)F)c(OC)c1 ZINC001320342386 1106970623 /nfs/dbraw/zinc/97/06/23/1106970623.db2.gz VCQSECYOEWVQJE-UHFFFAOYSA-N 0 0 311.332 3.011 20 10 DGCDRN Cc1nc(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)sc1C ZINC001320441939 1107008077 /nfs/dbraw/zinc/00/80/77/1107008077.db2.gz ZJYSRSBLJAFCBW-LBPRGKRZSA-N 0 0 317.458 3.246 20 10 DGCDRN Cc1ccc(F)cc1S(=O)(=O)Nc1c(C)cc(O)cc1C ZINC001258926995 1107059464 /nfs/dbraw/zinc/05/94/64/1107059464.db2.gz TVMBPZZPLVZLFT-UHFFFAOYSA-N 0 0 309.362 3.257 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1ccc(-c2cccs2)o1 ZINC001299573974 1107122524 /nfs/dbraw/zinc/12/25/24/1107122524.db2.gz MNOGEGSYJBGYRF-UHFFFAOYSA-N 0 0 315.350 3.349 20 10 DGCDRN CCOC(=O)C1(NCc2ccc(N(C)CC)cc2)CCCC1 ZINC001320876426 1107171460 /nfs/dbraw/zinc/17/14/60/1107171460.db2.gz NPHPJLUXLGYVKT-UHFFFAOYSA-N 0 0 304.434 3.108 20 10 DGCDRN CN(Cc1cc(F)cc(F)c1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001320917352 1107187010 /nfs/dbraw/zinc/18/70/10/1107187010.db2.gz ICIFKHSMCBCOAK-HYXAFXHYSA-N 0 0 319.307 3.048 20 10 DGCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc(C)nc2C)c1 ZINC001321036626 1107230628 /nfs/dbraw/zinc/23/06/28/1107230628.db2.gz BIBRQJYIWMHZBT-LLVKDONJSA-N 0 0 300.358 3.364 20 10 DGCDRN COc1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1C ZINC001299725206 1107331304 /nfs/dbraw/zinc/33/13/04/1107331304.db2.gz JZQMVEDNKLOBTF-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN CNC(=O)c1cnc(/C=C/c2ccc(N3CCCC3)cc2)s1 ZINC001321436201 1107348121 /nfs/dbraw/zinc/34/81/21/1107348121.db2.gz UTHKSASKRXEPMJ-RMKNXTFCSA-N 0 0 313.426 3.273 20 10 DGCDRN O=C(NCC1(C2CC2)CC1)c1cc2cc(O)c(O)cc2s1 ZINC001262155358 1107630580 /nfs/dbraw/zinc/63/05/80/1107630580.db2.gz JCDKLJWFLYGWLH-UHFFFAOYSA-N 0 0 303.383 3.233 20 10 DGCDRN COc1ccc(CNC(=O)[C@H](C)c2ccc(F)c(F)c2)c(O)c1 ZINC001322446844 1107676646 /nfs/dbraw/zinc/67/66/46/1107676646.db2.gz OQECZKFHCNADOY-SNVBAGLBSA-N 0 0 321.323 3.099 20 10 DGCDRN Cc1cc(C)c(CCNC(=O)NCc2ccc(N)cc2)c(C)c1 ZINC001262579626 1107729593 /nfs/dbraw/zinc/72/95/93/1107729593.db2.gz VHPVSYSSPBUMMU-UHFFFAOYSA-N 0 0 311.429 3.236 20 10 DGCDRN C[C@@H](NC(=O)NCc1ccc(N)cc1)C1CCC(F)(F)CC1 ZINC001262587869 1107732831 /nfs/dbraw/zinc/73/28/31/1107732831.db2.gz OOQOJEJHVALZCT-LLVKDONJSA-N 0 0 311.376 3.282 20 10 DGCDRN C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)NCc1ccc(N)cc1 ZINC001262603220 1107735308 /nfs/dbraw/zinc/73/53/08/1107735308.db2.gz BCXMJDDFOHZNLQ-GXFFZTMASA-N 0 0 315.339 3.141 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)NC3(C)CC3)ccc21 ZINC001322987935 1107797913 /nfs/dbraw/zinc/79/79/13/1107797913.db2.gz DBRRMFFEAWHAJD-UHFFFAOYSA-N 0 0 300.402 3.187 20 10 DGCDRN Cc1cc(-c2nnc(CN(C)C)o2)c(C)n1-c1ccc(F)cc1 ZINC001324178500 1108198954 /nfs/dbraw/zinc/19/89/54/1108198954.db2.gz OLIMRRBPHOMBIN-UHFFFAOYSA-N 0 0 314.364 3.345 20 10 DGCDRN Cc1cc(-c2nnc(C3CCOCC3)o2)c(C)n1-c1ccccn1 ZINC001324284437 1108236031 /nfs/dbraw/zinc/23/60/31/1108236031.db2.gz UXSPIFNPBVBBQP-UHFFFAOYSA-N 0 0 324.384 3.433 20 10 DGCDRN Oc1ccc(-c2nc(-c3ccc4ncccc4c3)no2)cc1O ZINC000391496038 1108732595 /nfs/dbraw/zinc/73/25/95/1108732595.db2.gz GQBLZDYHEOPWJM-UHFFFAOYSA-N 0 0 305.293 3.363 20 10 DGCDRN Cc1cccc(C)c1CN(C)C(=O)c1c(F)ccc(O)c1O ZINC001306902821 1110253100 /nfs/dbraw/zinc/25/31/00/1110253100.db2.gz XMZWUAQEXICZQS-UHFFFAOYSA-N 0 0 303.333 3.126 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NCc2ccc3c(c2)CCC3)cc1 ZINC001290982680 1110264869 /nfs/dbraw/zinc/26/48/69/1110264869.db2.gz ZOWMJJLVFSHOOI-UHFFFAOYSA-N 0 0 322.368 3.268 20 10 DGCDRN CSc1cc(C(=O)NCc2cc(C)ccc2O)ccc1F ZINC001301046815 1111079919 /nfs/dbraw/zinc/07/99/19/1111079919.db2.gz LYGRURNIGZAAEZ-UHFFFAOYSA-N 0 0 305.374 3.492 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccccc2Br)c1 ZINC001301042685 1111079935 /nfs/dbraw/zinc/07/99/35/1111079935.db2.gz XMTLZTUNKWCEHQ-UHFFFAOYSA-N 0 0 320.186 3.393 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccc(C(F)(F)F)cc2N)c1 ZINC001301047401 1111079997 /nfs/dbraw/zinc/07/99/97/1111079997.db2.gz WKIAEVVWFNLWTH-UHFFFAOYSA-N 0 0 324.302 3.232 20 10 DGCDRN C[C@@H](NC(=O)c1c[nH]c(=O)c2ccccc12)c1ccccc1O ZINC001302532491 1111117167 /nfs/dbraw/zinc/11/71/67/1111117167.db2.gz FUBNMSSGVKGYDF-LLVKDONJSA-N 0 0 308.337 3.137 20 10 DGCDRN C[C@@H](NC(=O)C1=Cc2cc(F)ccc2OC1)c1ccccc1O ZINC001302530713 1111117236 /nfs/dbraw/zinc/11/72/36/1111117236.db2.gz XKHWVPIXVGOXDW-LLVKDONJSA-N 0 0 313.328 3.185 20 10 DGCDRN CCOc1ncc(C(=O)N[C@H](C)c2ccccc2O)cc1Cl ZINC001302530146 1111117350 /nfs/dbraw/zinc/11/73/50/1111117350.db2.gz BPKCDCGIDGUOTL-SNVBAGLBSA-N 0 0 320.776 3.330 20 10 DGCDRN C[C@H](NC(=O)c1cccc(Cn2ccnc2)c1)c1ccccc1O ZINC001302538195 1111117352 /nfs/dbraw/zinc/11/73/52/1111117352.db2.gz JTWKNENFISERQD-AWEZNQCLSA-N 0 0 321.380 3.128 20 10 DGCDRN CCc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1cc(O)ccc1O ZINC001303225549 1111137228 /nfs/dbraw/zinc/13/72/28/1111137228.db2.gz LWQAJNHFDVPPRO-DLBZAZTESA-N 0 0 311.381 3.080 20 10 DGCDRN C[C@H](SCc1ccccc1)C(=O)NCc1c(O)cccc1F ZINC001303878595 1111156789 /nfs/dbraw/zinc/15/67/89/1111156789.db2.gz OEMZLGPOSQXGTM-LBPRGKRZSA-N 0 0 319.401 3.469 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cc2cccn2cn1 ZINC001304091054 1111165705 /nfs/dbraw/zinc/16/57/05/1111165705.db2.gz VLUMRCCTZUOTGS-UHFFFAOYSA-N 0 0 317.348 3.123 20 10 DGCDRN Cc1cc(C(=O)Nc2cnnn2C)c(C)n1-c1cc(C)cc(C)c1 ZINC001304100266 1111166556 /nfs/dbraw/zinc/16/65/56/1111166556.db2.gz NIIVCTKGSJJDOL-UHFFFAOYSA-N 0 0 323.400 3.092 20 10 DGCDRN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CC[C@@H](F)C1 ZINC001304794494 1111182865 /nfs/dbraw/zinc/18/28/65/1111182865.db2.gz LCPJNBVEAZWVGQ-DZGCQCFKSA-N 0 0 318.396 3.067 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1cc(F)ccc1[N+](=O)[O-] ZINC001305069269 1111192763 /nfs/dbraw/zinc/19/27/63/1111192763.db2.gz APGWYKZIRWENOV-UHFFFAOYSA-N 0 0 324.695 3.023 20 10 DGCDRN C[C@H](Sc1ccccn1)C(=O)NCc1cccc(Cl)c1O ZINC001305085211 1111193041 /nfs/dbraw/zinc/19/30/41/1111193041.db2.gz SYRSRAMGTRNVOG-JTQLQIEISA-N 0 0 322.817 3.238 20 10 DGCDRN Cc1cc(O)c(CNc2ccc3c(c2)NC(=O)CO3)c(Cl)c1 ZINC001308215242 1111399093 /nfs/dbraw/zinc/39/90/93/1111399093.db2.gz IYYRKIOJKYYWEV-UHFFFAOYSA-N 0 0 318.760 3.297 20 10 DGCDRN COc1cccc(O[C@@H](C)C[NH2+]Cc2cc(F)cc(F)c2[O-])c1 ZINC001308285377 1111410582 /nfs/dbraw/zinc/41/05/82/1111410582.db2.gz PIURPIUQXHQZAH-NSHDSACASA-N 0 0 323.339 3.236 20 10 DGCDRN Cc1cccc(C)c1CC[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001308307143 1111414450 /nfs/dbraw/zinc/41/44/50/1111414450.db2.gz WTDUGTRBHLTVKL-UHFFFAOYSA-N 0 0 300.358 3.250 20 10 DGCDRN Cc1c(NC/C=C/c2ccc(N(C)C)cc2)cccc1C(N)=O ZINC001308314917 1111415637 /nfs/dbraw/zinc/41/56/37/1111415637.db2.gz IWROZKVUVDLRPJ-AATRIKPKSA-N 0 0 309.413 3.285 20 10 DGCDRN Cc1nc2c(s1)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])CCC2 ZINC001308343748 1111418937 /nfs/dbraw/zinc/41/89/37/1111418937.db2.gz XUSHSXOASPVLSL-GFCCVEGCSA-N 0 0 319.386 3.233 20 10 DGCDRN Cc1cccc2c1C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])CO2 ZINC001308473624 1111432666 /nfs/dbraw/zinc/43/26/66/1111432666.db2.gz LKICSVWALFBPJE-ZDUSSCGKSA-N 0 0 305.324 3.072 20 10 DGCDRN CC[C@H]1C[N@H+](Cc2ccc(Br)cc2O)CCS1 ZINC001308617604 1111451240 /nfs/dbraw/zinc/45/12/40/1111451240.db2.gz CGXDBWYZORQKDP-LBPRGKRZSA-N 0 0 316.264 3.482 20 10 DGCDRN Oc1cc(Cl)ccc1CNc1ccc(OC2COC2)cc1 ZINC001308698523 1111462697 /nfs/dbraw/zinc/46/26/97/1111462697.db2.gz XNHAJXNLSZFMDN-UHFFFAOYSA-N 0 0 305.761 3.435 20 10 DGCDRN CC[C@@H](C(=O)OC(C)(C)C)N(C)Cc1c(C)cc(OC)cc1O ZINC001308844109 1111483441 /nfs/dbraw/zinc/48/34/41/1111483441.db2.gz YAYGVOSDIMGMLT-HNNXBMFYSA-N 0 0 323.433 3.261 20 10 DGCDRN CC[C@H]([NH2+]Cc1cc(F)c(F)cc1[O-])[C@@H](O)c1ccccc1 ZINC001308931840 1111496020 /nfs/dbraw/zinc/49/60/20/1111496020.db2.gz VQIDDMLZZZFJHG-RDJZCZTQSA-N 0 0 307.340 3.272 20 10 DGCDRN CCCc1ccccc1S(=O)(=O)N[C@@H](C)c1ccccc1O ZINC001309768820 1111540151 /nfs/dbraw/zinc/54/01/51/1111540151.db2.gz JUPMJUAAFPPVBD-ZDUSSCGKSA-N 0 0 319.426 3.384 20 10 DGCDRN CC(C)=CCNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001310899085 1111574767 /nfs/dbraw/zinc/57/47/67/1111574767.db2.gz SZQHBOYGIPLLQU-UHFFFAOYSA-N 0 0 321.384 3.484 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@]1(C)CC1(C)C ZINC001312883729 1111679889 /nfs/dbraw/zinc/67/98/89/1111679889.db2.gz DPRWUTUKOJPVJO-IFXJQAMLSA-N 0 0 317.477 3.480 20 10 DGCDRN CC[C@@H](NC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)C1CC1 ZINC001312884990 1111679897 /nfs/dbraw/zinc/67/98/97/1111679897.db2.gz LGABQJUVNKWVAK-KBXCAEBGSA-N 0 0 317.477 3.480 20 10 DGCDRN CN(C)c1ccc(CNc2cccc(N3CCCC3=O)c2)cc1 ZINC000079121671 185159613 /nfs/dbraw/zinc/15/96/13/185159613.db2.gz VPEAUYOESZIZCG-UHFFFAOYSA-N 0 0 309.413 3.492 20 10 DGCDRN COCCOCCN(Cc1ccco1)c1ccc(OC)c(F)c1 ZINC000079443555 185171968 /nfs/dbraw/zinc/17/19/68/185171968.db2.gz IKGKZFJIOHWYBY-UHFFFAOYSA-N 0 0 323.364 3.097 20 10 DGCDRN CCN(CC)c1ccc(CN(C)Cc2cnccn2)cc1F ZINC000092591130 185328069 /nfs/dbraw/zinc/32/80/69/185328069.db2.gz ZWDJHPKLJLWPOO-UHFFFAOYSA-N 0 0 302.397 3.094 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CC1=CCCCC1 ZINC000173190596 529786041 /nfs/dbraw/zinc/78/60/41/529786041.db2.gz CNPMZDOHVBGLQP-UHFFFAOYSA-N 0 0 300.402 3.369 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(Cl)c1 ZINC000173203138 529786093 /nfs/dbraw/zinc/78/60/93/529786093.db2.gz VVKZBFYJNGRIHY-UHFFFAOYSA-N 0 0 316.788 3.445 20 10 DGCDRN CC1(C)[C@@H](CNC(=O)NCc2cc(Cl)ccc2O)C1(F)F ZINC000852628737 620635497 /nfs/dbraw/zinc/63/54/97/620635497.db2.gz UTYSCPPWTDFTRE-LLVKDONJSA-N 0 0 318.751 3.136 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)c1ccccn1 ZINC000066697432 432020063 /nfs/dbraw/zinc/02/00/63/432020063.db2.gz WXINHPKTCJWUBE-AWEZNQCLSA-N 0 0 313.401 3.470 20 10 DGCDRN Cc1cnc(C(C)(C)[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000080346463 192149860 /nfs/dbraw/zinc/14/98/60/192149860.db2.gz XEZYOUGQPGGQEI-UHFFFAOYSA-N 0 0 307.375 3.090 20 10 DGCDRN Cc1sc(NC(=O)CN(C)Cc2ccccc2O)c(C)c1C ZINC000072629621 191204346 /nfs/dbraw/zinc/20/43/46/191204346.db2.gz RPDQQLBFVCTSAK-UHFFFAOYSA-N 0 0 318.442 3.449 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)CSC ZINC000077626126 191745115 /nfs/dbraw/zinc/74/51/15/191745115.db2.gz KXPGZJZJVIHTGG-ZDUSSCGKSA-N 0 0 309.479 3.036 20 10 DGCDRN CC[C@@H](c1ccncc1)N(CC)C(=O)c1ccc(C)c(O)c1O ZINC000179512476 432060833 /nfs/dbraw/zinc/06/08/33/432060833.db2.gz HVPNLGVSPKQRCT-HNNXBMFYSA-N 0 0 314.385 3.415 20 10 DGCDRN CCSC1(CNC(=O)NCc2ccc(N(C)C)cc2C)CC1 ZINC000852629449 620635647 /nfs/dbraw/zinc/63/56/47/620635647.db2.gz UZZDFLVIDZXFEP-UHFFFAOYSA-N 0 0 321.490 3.146 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(C)n(C)c1C ZINC000269121290 283296995 /nfs/dbraw/zinc/29/69/95/283296995.db2.gz FBBSCFXLTYSPSX-UHFFFAOYSA-N 0 0 300.402 3.400 20 10 DGCDRN C[C@H]([NH2+]C1CCN(C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192617626 299272295 /nfs/dbraw/zinc/27/22/95/299272295.db2.gz VMNIVDUKJBYNEO-VIFPVBQESA-N 0 0 303.233 3.444 20 10 DGCDRN COc1ccc(NC(=O)NCc2ccc(N(C)C)cc2)c(C)c1 ZINC000170717153 432077888 /nfs/dbraw/zinc/07/78/88/432077888.db2.gz ATJQXHVZFCOGIY-UHFFFAOYSA-N 0 0 313.401 3.391 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCC3(CCCC3=O)CC2)c1O ZINC000852631122 620635741 /nfs/dbraw/zinc/63/57/41/620635741.db2.gz ICDDYMNAHUGGJK-UHFFFAOYSA-N 0 0 319.376 3.069 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CSCCS1)c1ccc(F)c(F)c1[O-] ZINC000187752777 299320553 /nfs/dbraw/zinc/32/05/53/299320553.db2.gz XCRRPUDTBBABCZ-IUCAKERBSA-N 0 0 305.415 3.170 20 10 DGCDRN C[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1ccc(F)c(F)c1[O-] ZINC000278819968 296117824 /nfs/dbraw/zinc/11/78/24/296117824.db2.gz ODKPFYIQYPPNGB-LLVKDONJSA-N 0 0 311.372 3.264 20 10 DGCDRN C[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000282220522 296119851 /nfs/dbraw/zinc/11/98/51/296119851.db2.gz HYEIPHBZNAWEJH-YLVJLNSGSA-N 0 0 322.257 3.261 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273350583 299389613 /nfs/dbraw/zinc/38/96/13/299389613.db2.gz BOHQBWAOQDEKAF-QWHCGFSZSA-N 0 0 320.389 3.443 20 10 DGCDRN Cc1ccc(O)c(CN2CCO[C@H](c3ccccc3F)C2)c1 ZINC000092975342 193191351 /nfs/dbraw/zinc/19/13/51/193191351.db2.gz BRIVGPMNJKKZMW-SFHVURJKSA-N 0 0 301.361 3.413 20 10 DGCDRN C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000187720091 296134036 /nfs/dbraw/zinc/13/40/36/296134036.db2.gz YMWMBMGAXJWPAZ-DIFFPNOSSA-N 0 0 307.340 3.229 20 10 DGCDRN CCc1ccnc(C(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000471231441 244211008 /nfs/dbraw/zinc/21/10/08/244211008.db2.gz HSSXVUNHCYVZGK-UHFFFAOYSA-N 0 0 307.397 3.374 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccc(F)c(F)c1[O-] ZINC000276997203 296156223 /nfs/dbraw/zinc/15/62/23/296156223.db2.gz YRAWUODMFQJFGU-NOZJJQNGSA-N 0 0 307.344 3.132 20 10 DGCDRN CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000268716626 432124967 /nfs/dbraw/zinc/12/49/67/432124967.db2.gz IUYOVVOHGCPEIQ-HZPDHXFCSA-N 0 0 317.477 3.242 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)/C=C/c1cccnc1 ZINC000492763766 245788395 /nfs/dbraw/zinc/78/83/95/245788395.db2.gz JFIXKEFUPHTHKY-MDZDMXLPSA-N 0 0 305.381 3.211 20 10 DGCDRN COCCN(C(=O)/C=C\c1cnc(C)s1)c1ccccc1 ZINC000493871208 246090110 /nfs/dbraw/zinc/09/01/10/246090110.db2.gz OVALNMWUJIFNFF-HJWRWDBZSA-N 0 0 302.399 3.144 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cccs1 ZINC000053661758 183909316 /nfs/dbraw/zinc/90/93/16/183909316.db2.gz LRRUXJLQQUDRSJ-UHFFFAOYSA-N 0 0 302.443 3.405 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C\c1cccnc1Cl ZINC000171350620 296354779 /nfs/dbraw/zinc/35/47/79/296354779.db2.gz INZXVQPNWIINLK-LUAWRHEFSA-N 0 0 307.806 3.191 20 10 DGCDRN COc1cc2c(cc1OC)CN(Cc1cc(F)ccc1O)CC2 ZINC000179881273 533169471 /nfs/dbraw/zinc/16/94/71/533169471.db2.gz QIIHWLRNZXAVKV-UHFFFAOYSA-N 0 0 317.360 3.107 20 10 DGCDRN O=C(C1CCCC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000071797626 184844523 /nfs/dbraw/zinc/84/45/23/184844523.db2.gz FGAJMZHRFIQLED-MRXNPFEDSA-N 0 0 303.402 3.090 20 10 DGCDRN COCCC[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000272121972 130000517 /nfs/dbraw/zinc/00/05/17/130000517.db2.gz SMMDSTMOLRXTHO-OAHLLOKOSA-N 0 0 318.461 3.306 20 10 DGCDRN CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NCc1ccc(O)c(O)c1 ZINC000272278837 130015650 /nfs/dbraw/zinc/01/56/50/130015650.db2.gz FJFSFWRADPHGRY-IFIJOSMWSA-N 0 0 321.417 3.088 20 10 DGCDRN Cc1c(C(=O)NCc2ccccc2O)cnn1C1CCCCC1 ZINC000272616029 130046194 /nfs/dbraw/zinc/04/61/94/130046194.db2.gz AVGJIGCAFMQFEX-UHFFFAOYSA-N 0 0 313.401 3.332 20 10 DGCDRN Cc1cccc([C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)c1 ZINC000273114613 130091223 /nfs/dbraw/zinc/09/12/23/130091223.db2.gz BMKMXAFSXXASCR-DBWMJRBXSA-N 0 0 323.392 3.436 20 10 DGCDRN C[C@@H]([NH2+]Cc1cccc(N(C)C)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273370058 130113209 /nfs/dbraw/zinc/11/32/09/130113209.db2.gz CFSYYWZQBTYGJU-GFCCVEGCSA-N 0 0 315.373 3.217 20 10 DGCDRN COc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1F ZINC000273417940 130118355 /nfs/dbraw/zinc/11/83/55/130118355.db2.gz RFQQTNWRSMRKAA-SNVBAGLBSA-N 0 0 320.320 3.299 20 10 DGCDRN C[C@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273501957 130129273 /nfs/dbraw/zinc/12/92/73/130129273.db2.gz QFLRMNIPQGJKTF-STQMWFEESA-N 0 0 322.405 3.140 20 10 DGCDRN CCCc1nc(C(=O)NCc2ccc(N3CCCC3)cc2)co1 ZINC000273524984 130132361 /nfs/dbraw/zinc/13/23/61/130132361.db2.gz BUNOPRAHHDYKDV-UHFFFAOYSA-N 0 0 313.401 3.157 20 10 DGCDRN COc1ccc(O)c([C@@H](C)N[C@H](CO)c2c(F)cccc2F)c1 ZINC000273540896 130134131 /nfs/dbraw/zinc/13/41/31/130134131.db2.gz YFYZTQXERCCUQI-MEBBXXQBSA-N 0 0 323.339 3.063 20 10 DGCDRN COC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(C)o1 ZINC000273610905 130143373 /nfs/dbraw/zinc/14/33/73/130143373.db2.gz VTVFBHRIDKKGAY-BXUZGUMPSA-N 0 0 320.345 3.240 20 10 DGCDRN CN(Cc1ccccc1O)S(=O)(=O)CC1(C)CCCCC1 ZINC000274878738 130269810 /nfs/dbraw/zinc/26/98/10/130269810.db2.gz OFOZCZQXDRWQHK-UHFFFAOYSA-N 0 0 311.447 3.124 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000274880977 130270865 /nfs/dbraw/zinc/27/08/65/130270865.db2.gz NGOUSGBOCDFOHV-ZDUSSCGKSA-N 0 0 316.323 3.313 20 10 DGCDRN O=C([O-])CC1(C[NH2+]Cc2ccc3c(c2)CCO3)CCCCC1 ZINC000277049067 130574863 /nfs/dbraw/zinc/57/48/63/130574863.db2.gz SAAJBMLACPNRGB-UHFFFAOYSA-N 0 0 303.402 3.136 20 10 DGCDRN CO[C@H]1CCC[C@H](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000280252366 130792467 /nfs/dbraw/zinc/79/24/67/130792467.db2.gz LVSXESWHSDAXMU-WMZOPIPTSA-N 0 0 318.461 3.306 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1c[nH]nc1C1CC1 ZINC000282550069 130928750 /nfs/dbraw/zinc/92/87/50/130928750.db2.gz SHMSQHUINYSOQB-UHFFFAOYSA-N 0 0 313.401 3.435 20 10 DGCDRN COC(=O)Nc1cccc(C[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000285655615 131191073 /nfs/dbraw/zinc/19/10/73/131191073.db2.gz YQTILKWYZNYQSZ-UHFFFAOYSA-N 0 0 313.401 3.221 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc(F)cc1[O-] ZINC000285890118 131208033 /nfs/dbraw/zinc/20/80/33/131208033.db2.gz CFGZYUGQXSJKTC-NVXWUHKLSA-N 0 0 307.340 3.445 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccc(F)cc1[O-] ZINC000286157926 131222726 /nfs/dbraw/zinc/22/27/26/131222726.db2.gz PSUYSWDNOOZUPU-NVXWUHKLSA-N 0 0 307.340 3.445 20 10 DGCDRN COc1ccncc1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000287193374 131268074 /nfs/dbraw/zinc/26/80/74/131268074.db2.gz HVPQUVFGMVSMBG-UHFFFAOYSA-N 0 0 311.429 3.321 20 10 DGCDRN CCNC(=O)C1(C[NH2+][C@@H](CC)c2cccc(Cl)c2[O-])CCC1 ZINC000287708817 131295782 /nfs/dbraw/zinc/29/57/82/131295782.db2.gz NZXIKIAQGHYNSM-AWEZNQCLSA-N 0 0 324.852 3.393 20 10 DGCDRN CC[C@@H]([NH2+]CCCc1cnn(C)c1)c1cccc(Cl)c1[O-] ZINC000287710362 131296456 /nfs/dbraw/zinc/29/64/56/131296456.db2.gz ODSHBAZOIMMWIS-OAHLLOKOSA-N 0 0 307.825 3.453 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(NC)nc1 ZINC000288976773 131348781 /nfs/dbraw/zinc/34/87/81/131348781.db2.gz FZQUYUPTELWPHN-UHFFFAOYSA-N 0 0 313.401 3.271 20 10 DGCDRN CC(C)c1scnc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000289334648 131375300 /nfs/dbraw/zinc/37/53/00/131375300.db2.gz IDYDEQUPYQRIQG-UHFFFAOYSA-N 0 0 303.431 3.263 20 10 DGCDRN C[C@@H](c1ccccc1)N(Cc1cnn(C)n1)Cc1ccccc1O ZINC000289411120 131383467 /nfs/dbraw/zinc/38/34/67/131383467.db2.gz UZPSUMQZEIMDBL-HNNXBMFYSA-N 0 0 322.412 3.284 20 10 DGCDRN COc1cc(CCO)ccc1NCc1cc(C)c(C)cc1O ZINC000289595391 131399951 /nfs/dbraw/zinc/39/99/51/131399951.db2.gz ITFPDKVTYPAHJZ-UHFFFAOYSA-N 0 0 301.386 3.165 20 10 DGCDRN COc1cc(N(C)CC2(SC)CCC2)cc(OC)c1OC ZINC000290973758 131532462 /nfs/dbraw/zinc/53/24/62/131532462.db2.gz XRXCUOCOLBGUGD-UHFFFAOYSA-N 0 0 311.447 3.434 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC1(Cl)Cl ZINC000291071161 131540709 /nfs/dbraw/zinc/54/07/09/131540709.db2.gz XEXGMYPBLCQDJY-CYBMUJFWSA-N 0 0 315.244 3.295 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cc(OCC)no1 ZINC000296140050 131944353 /nfs/dbraw/zinc/94/43/53/131944353.db2.gz SRXFLBGKRDHTTP-UHFFFAOYSA-N 0 0 318.373 3.221 20 10 DGCDRN Cc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000298333714 132056731 /nfs/dbraw/zinc/05/67/31/132056731.db2.gz ARCNLHQGENNZRC-UHFFFAOYSA-N 0 0 309.413 3.261 20 10 DGCDRN CCN(Cc1ccoc1C(=O)OC)c1ccc(OC)c(OC)c1 ZINC000299285498 132096677 /nfs/dbraw/zinc/09/66/77/132096677.db2.gz QAIDIEDUASTOFE-UHFFFAOYSA-N 0 0 319.357 3.110 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)c2ccnc(F)c2)C2CC2)cc1 ZINC000299474218 132107023 /nfs/dbraw/zinc/10/70/23/132107023.db2.gz CJLQOVGEAURJFC-UHFFFAOYSA-N 0 0 313.376 3.092 20 10 DGCDRN Cc1nc(C(C)(C)C)sc1C(=O)NCc1ccccc1O ZINC000299463024 132107358 /nfs/dbraw/zinc/10/73/58/132107358.db2.gz CMCOVGGLLSNFCX-UHFFFAOYSA-N 0 0 304.415 3.385 20 10 DGCDRN CCc1ccc(C(=O)CCC(=O)NCc2ccccc2O)cc1 ZINC000299598508 132112532 /nfs/dbraw/zinc/11/25/32/132112532.db2.gz VFGGLOUXOVDJML-UHFFFAOYSA-N 0 0 311.381 3.234 20 10 DGCDRN CC[C@H](OC)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000068179123 400241004 /nfs/dbraw/zinc/24/10/04/400241004.db2.gz CMULLNHKXJAQQQ-KRWDZBQOSA-N 0 0 304.434 3.060 20 10 DGCDRN Cc1cc(C(=O)NC[C@@H]2CCOC2)c(C)n1-c1ccccc1C ZINC000042726940 400440547 /nfs/dbraw/zinc/44/05/47/400440547.db2.gz NHWQUJUHZOZBKK-INIZCTEOSA-N 0 0 312.413 3.169 20 10 DGCDRN COc1cccc(CNC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c1O ZINC000074624206 400522479 /nfs/dbraw/zinc/52/24/79/400522479.db2.gz IPOSAULUYTZEIZ-HUUCEWRRSA-N 0 0 318.417 3.169 20 10 DGCDRN COc1ccc(O)c([C@H](C)Nc2cc(C)c([N+](=O)[O-])cn2)c1 ZINC000074747852 400532451 /nfs/dbraw/zinc/53/24/51/400532451.db2.gz MTDSIAKGNKEBHK-JTQLQIEISA-N 0 0 303.318 3.186 20 10 DGCDRN CN(C)c1ccc(CNc2nc3ccccc3cc2CO)cc1 ZINC000077905440 400753343 /nfs/dbraw/zinc/75/33/43/400753343.db2.gz IDGCTWYAOSZABE-UHFFFAOYSA-N 0 0 307.397 3.405 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(F)cc1 ZINC000181219699 400888168 /nfs/dbraw/zinc/88/81/68/400888168.db2.gz BDNWOQAUVMARSD-UHFFFAOYSA-N 0 0 315.348 3.323 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCCC[C@H]1OC ZINC000080484879 400956647 /nfs/dbraw/zinc/95/66/47/400956647.db2.gz HMFYSSXPAUGNRB-DOTOQJQBSA-N 0 0 320.433 3.271 20 10 DGCDRN CCCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000081203180 401038711 /nfs/dbraw/zinc/03/87/11/401038711.db2.gz BKUWDGSKKWPVFP-LBPRGKRZSA-N 0 0 312.360 3.173 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccnc(Cl)c1 ZINC000060349105 401108536 /nfs/dbraw/zinc/10/85/36/401108536.db2.gz BXFPWJQAFKHFBC-UHFFFAOYSA-N 0 0 304.777 3.493 20 10 DGCDRN Cc1cc2c(ncnc2NCCc2ccc(O)c(O)c2)s1 ZINC000090106284 401257039 /nfs/dbraw/zinc/25/70/39/401257039.db2.gz HKARUYAWNDGMAF-UHFFFAOYSA-N 0 0 301.371 3.066 20 10 DGCDRN CCOCCC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000273506572 286048069 /nfs/dbraw/zinc/04/80/69/286048069.db2.gz QZODGHUXOHQCFR-LBPRGKRZSA-N 0 0 308.378 3.158 20 10 DGCDRN CC[C@@H]([NH2+]CCN1CCSCC1)c1cccc(Cl)c1[O-] ZINC000287783636 286907958 /nfs/dbraw/zinc/90/79/58/286907958.db2.gz SICVLXWCVCHMRV-CQSZACIVSA-N 0 0 314.882 3.135 20 10 DGCDRN Nc1ccc(CCNC(=O)c2ccc(OC3CCC3)cc2)cc1 ZINC000269153970 432152700 /nfs/dbraw/zinc/15/27/00/432152700.db2.gz YINFJBVVMLOPAW-UHFFFAOYSA-N 0 0 310.397 3.173 20 10 DGCDRN Cc1cc(N(C)C)cc(C)c1NC(=O)NCc1ccccc1O ZINC000269805692 432210279 /nfs/dbraw/zinc/21/02/79/432210279.db2.gz FRZWROUPJHZNEX-UHFFFAOYSA-N 0 0 313.401 3.397 20 10 DGCDRN CCN(CC)c1ccc(C=C2SC(=S)NC2=O)cc1F ZINC000172680483 432226700 /nfs/dbraw/zinc/22/67/00/432226700.db2.gz DOYNDINDRCTJGQ-XYOKQWHBSA-N 0 0 310.419 3.161 20 10 DGCDRN Cc1ccccc1CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173185041 228279381 /nfs/dbraw/zinc/27/93/81/228279381.db2.gz ZDQGAEPBRDOJBI-UHFFFAOYSA-N 0 0 310.397 3.029 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)C3CC3)ccc21 ZINC000343180357 229122233 /nfs/dbraw/zinc/12/22/33/229122233.db2.gz XJBOUGQSZCOMAU-ZDUSSCGKSA-N 0 0 314.429 3.433 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@@H]1CCSC1 ZINC000350079994 229219258 /nfs/dbraw/zinc/21/92/58/229219258.db2.gz NVWNXBDRSWLGKY-CYBMUJFWSA-N 0 0 317.458 3.134 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)CC(C)(C)OC)c1 ZINC000273465330 277161026 /nfs/dbraw/zinc/16/10/26/277161026.db2.gz DQNJCAONSXECKN-RYUDHWBXSA-N 0 0 309.406 3.033 20 10 DGCDRN CCCc1nc(C)c(C(=O)NCc2cccc(OC)c2O)s1 ZINC000068489078 431132108 /nfs/dbraw/zinc/13/21/08/431132108.db2.gz OTBOSBBRFYDXRC-UHFFFAOYSA-N 0 0 320.414 3.048 20 10 DGCDRN C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)c1cccc(O)c1 ZINC000069215400 431171884 /nfs/dbraw/zinc/17/18/84/431171884.db2.gz JZTOQRSCCZHGLA-ZDUSSCGKSA-N 0 0 313.401 3.019 20 10 DGCDRN CN(CC(C)(C)C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000108711690 431151000 /nfs/dbraw/zinc/15/10/00/431151000.db2.gz GFBXSBADJBWCCO-JXMROGBWSA-N 0 0 316.445 3.041 20 10 DGCDRN O=C(C1CCCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000071797625 431289568 /nfs/dbraw/zinc/28/95/68/431289568.db2.gz FGAJMZHRFIQLED-INIZCTEOSA-N 0 0 303.402 3.090 20 10 DGCDRN O=C(CN1CC[C@@H](O)C1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000114485915 431394320 /nfs/dbraw/zinc/39/43/20/431394320.db2.gz ZDFACFZCRYLBCH-SGRLSNSRSA-N 0 0 324.384 3.107 20 10 DGCDRN CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCO1 ZINC000273546805 280031974 /nfs/dbraw/zinc/03/19/74/280031974.db2.gz ZODGCKSHKKJVGY-OZVIIMIRSA-N 0 0 308.378 3.155 20 10 DGCDRN O=C1/C(=C\c2ccc3c(c2)CCO3)SC(=S)N1C1CCC1 ZINC000292381151 280247449 /nfs/dbraw/zinc/24/74/49/280247449.db2.gz UKNUNZVOGJYJTM-NTEUORMPSA-N 0 0 317.435 3.375 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2cc(Cl)cn2C)cc1 ZINC000027154562 431683986 /nfs/dbraw/zinc/68/39/86/431683986.db2.gz YCJXUJJGKJXVAY-UHFFFAOYSA-N 0 0 305.809 3.017 20 10 DGCDRN COc1ccc(N(C)Cc2nc([C@@H](C)OC)no2)cc1Cl ZINC000121858470 431804452 /nfs/dbraw/zinc/80/44/52/431804452.db2.gz HMOWZMDNTQEZKU-SECBINFHSA-N 0 0 311.769 3.075 20 10 DGCDRN Nc1ccc(CC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000037042560 431843543 /nfs/dbraw/zinc/84/35/43/431843543.db2.gz PXKATQDXNVJWIF-DGCLKSJQSA-N 0 0 300.324 3.049 20 10 DGCDRN Nc1ccc(CC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000037042558 431844142 /nfs/dbraw/zinc/84/41/42/431844142.db2.gz PXKATQDXNVJWIF-WCQYABFASA-N 0 0 300.324 3.049 20 10 DGCDRN C[C@H](Cn1cccn1)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000037155615 431845255 /nfs/dbraw/zinc/84/52/55/431845255.db2.gz ZGIRQEOVOWMNLG-SECBINFHSA-N 0 0 300.189 3.074 20 10 DGCDRN CCN1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000038097943 431855235 /nfs/dbraw/zinc/85/52/35/431855235.db2.gz WMIPSQCEOSGTLO-UHFFFAOYSA-N 0 0 303.233 3.273 20 10 DGCDRN CCc1sc(C(=O)NCCc2ccc(O)c(O)c2)cc1C ZINC000098076922 431977793 /nfs/dbraw/zinc/97/77/93/431977793.db2.gz XNROCHQMUUJJJN-UHFFFAOYSA-N 0 0 305.399 3.003 20 10 DGCDRN O=C(CSc1nccs1)Nc1ccnn1C1CCCC1 ZINC000048874586 431933755 /nfs/dbraw/zinc/93/37/55/431933755.db2.gz AIQXDAQFVXXZLJ-UHFFFAOYSA-N 0 0 308.432 3.186 20 10 DGCDRN CCCn1c(C)nnc1CN(CC)c1ccc(OCC)cc1 ZINC000270696847 432277196 /nfs/dbraw/zinc/27/71/96/432277196.db2.gz BCPIHQWFERNKIZ-UHFFFAOYSA-N 0 0 302.422 3.422 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1cccs1 ZINC000173198117 432263118 /nfs/dbraw/zinc/26/31/18/432263118.db2.gz CKSZNJWWEUZPKV-UHFFFAOYSA-N 0 0 316.426 3.172 20 10 DGCDRN CSCCCCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173194230 432263982 /nfs/dbraw/zinc/26/39/82/432263982.db2.gz ADVYFGYBKNRQEJ-UHFFFAOYSA-N 0 0 308.447 3.011 20 10 DGCDRN C[C@@H]1[C@@H](C)[S@](=O)CCN1Cc1ccc(N2CCCCC2)cc1 ZINC000271195533 432351390 /nfs/dbraw/zinc/35/13/90/432351390.db2.gz NIRJHIIQGXVDPY-XCGNWRKASA-N 0 0 320.502 3.018 20 10 DGCDRN C[C@@](O)(C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1ccco1 ZINC000174532379 432352985 /nfs/dbraw/zinc/35/29/85/432352985.db2.gz KRPCTVAKKFCLOQ-CQSZACIVSA-N 0 0 316.184 3.289 20 10 DGCDRN CCC[C@@H]1C[C@@H](C(=O)NCc2ccc(N(C)C)c(F)c2)CCO1 ZINC000183569765 432304960 /nfs/dbraw/zinc/30/49/60/432304960.db2.gz WHVXZFUHZJQHTL-LSDHHAIUSA-N 0 0 322.424 3.103 20 10 DGCDRN CC(C)NC(=O)CC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192649982 432396459 /nfs/dbraw/zinc/39/64/59/432396459.db2.gz QGNVBAZDCJPIIJ-SECBINFHSA-N 0 0 319.232 3.264 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)CC1CCC1 ZINC000271444831 432397386 /nfs/dbraw/zinc/39/73/86/432397386.db2.gz ORRZLHMSCNVJCJ-UHFFFAOYSA-N 0 0 324.490 3.093 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc2c1CCC2 ZINC000175425531 432434925 /nfs/dbraw/zinc/43/49/25/432434925.db2.gz ZAOVIKWYRNVFNZ-UHFFFAOYSA-N 0 0 322.408 3.281 20 10 DGCDRN CC(C)C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccccc2O)CCO1 ZINC000272049060 432436401 /nfs/dbraw/zinc/43/64/01/432436401.db2.gz DQCJPIZISVRQQE-HZPDHXFCSA-N 0 0 320.433 3.127 20 10 DGCDRN CC(C)NC(=O)CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000184981599 432453236 /nfs/dbraw/zinc/45/32/36/432453236.db2.gz MBCZLNARFAXVKI-VIFPVBQESA-N 0 0 319.232 3.264 20 10 DGCDRN Cc1ccc(NC(=O)c2cccc(O)c2O)cc1-c1ncco1 ZINC000193137583 432453352 /nfs/dbraw/zinc/45/33/52/432453352.db2.gz LHHJIGKZRSHMPV-UHFFFAOYSA-N 0 0 310.309 3.314 20 10 DGCDRN C[C@H]([NH2+]CCCC(=O)N(C)C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192762475 432411375 /nfs/dbraw/zinc/41/13/75/432411375.db2.gz ZKLAZDOKLVRTCO-VIFPVBQESA-N 0 0 319.232 3.218 20 10 DGCDRN COc1ccc(Cl)cc1N(C)C(=O)/C=C\c1cnn(C)c1C ZINC000255892302 432414084 /nfs/dbraw/zinc/41/40/84/432414084.db2.gz SNZOBKKUYNOHHW-YVMONPNESA-N 0 0 319.792 3.067 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NOC1CCCC1 ZINC000271735563 432421752 /nfs/dbraw/zinc/42/17/52/432421752.db2.gz OFSZAXIJNRVQBM-UHFFFAOYSA-N 0 0 305.422 3.158 20 10 DGCDRN COC[C@H](NCc1cc(Cl)cc(OC)c1O)c1ccco1 ZINC000184709702 432423811 /nfs/dbraw/zinc/42/38/11/432423811.db2.gz YTROWUWEJJAUMR-LBPRGKRZSA-N 0 0 311.765 3.125 20 10 DGCDRN CC(C)(C)c1nnc(C[NH2+]Cc2cccc(Cl)c2[O-])s1 ZINC000271821207 432426894 /nfs/dbraw/zinc/42/68/94/432426894.db2.gz MYOLNQLCRSWXQQ-UHFFFAOYSA-N 0 0 311.838 3.484 20 10 DGCDRN Cc1ccc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(O)c1 ZINC000185206779 432478049 /nfs/dbraw/zinc/47/80/49/432478049.db2.gz SFFWNLMLNYQFHO-ZACQAIPSSA-N 0 0 320.477 3.241 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1[O-] ZINC000185442409 432501204 /nfs/dbraw/zinc/50/12/04/432501204.db2.gz YOQRUPFEDFUTGJ-AAEUAGOBSA-N 0 0 324.396 3.191 20 10 DGCDRN C[C@@H](C[S@](C)=O)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000193280324 432462596 /nfs/dbraw/zinc/46/25/96/432462596.db2.gz ALSFMWDXLWIRHL-KEJSXXJDSA-N 0 0 310.246 3.117 20 10 DGCDRN C[C@@H](O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000193369292 432468184 /nfs/dbraw/zinc/46/81/84/432468184.db2.gz KRMBLZNCYQUMSF-HIFRSBDPSA-N 0 0 318.442 3.202 20 10 DGCDRN Cc1ncsc1/C=C/C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000186025628 432554254 /nfs/dbraw/zinc/55/42/54/432554254.db2.gz NXNFKDKIRAKAGP-BQYQJAHWSA-N 0 0 303.343 3.036 20 10 DGCDRN Cc1cc2cn[nH]c2c(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000264018761 432605563 /nfs/dbraw/zinc/60/55/63/432605563.db2.gz XKCJCZYNJJJNGM-UHFFFAOYSA-N 0 0 322.412 3.210 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)c1ccc(C)cc1 ZINC000264073122 432613603 /nfs/dbraw/zinc/61/36/03/432613603.db2.gz LETOZVDPJDDTKG-UHFFFAOYSA-N 0 0 311.381 3.322 20 10 DGCDRN Cc1noc(C)c1C[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273605875 432617182 /nfs/dbraw/zinc/61/71/82/432617182.db2.gz TZXRWYLBMPIWDL-VHSXEESVSA-N 0 0 319.361 3.187 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cnc(NCC)s1 ZINC000177137033 432589709 /nfs/dbraw/zinc/58/97/09/432589709.db2.gz BQVKXUAMVMTAJZ-UHFFFAOYSA-N 0 0 319.430 3.333 20 10 DGCDRN Cc1ccc(O)c(CNCc2cc(COC(C)(C)C)on2)c1 ZINC000186418057 432592675 /nfs/dbraw/zinc/59/26/75/432592675.db2.gz CXOICOVPFGNPQH-UHFFFAOYSA-N 0 0 304.390 3.294 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Nc1ccnn1C(C)(C)C ZINC000186466358 432596744 /nfs/dbraw/zinc/59/67/44/432596744.db2.gz MOVSLWIOKLCKPN-UHFFFAOYSA-N 0 0 302.378 3.008 20 10 DGCDRN C[C@H]1CCC[C@H]1CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000186833508 432633885 /nfs/dbraw/zinc/63/38/85/432633885.db2.gz IJWFERDTKIXRBR-KBPBESRZSA-N 0 0 302.418 3.304 20 10 DGCDRN Nc1ccc(CNC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000216270881 432650079 /nfs/dbraw/zinc/65/00/79/432650079.db2.gz GBUKIRWXQUSKHH-NEPJUHHUSA-N 0 0 300.324 3.254 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)NC3CCC3)ccc21 ZINC000264536734 432656785 /nfs/dbraw/zinc/65/67/85/432656785.db2.gz PHHSPSSHQZGMIT-UHFFFAOYSA-N 0 0 300.402 3.187 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(Cl)cn1 ZINC000265430197 432700080 /nfs/dbraw/zinc/70/00/80/432700080.db2.gz FOXRXLDMZVVVSL-UHFFFAOYSA-N 0 0 315.804 3.265 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cc(C2CC2)on1 ZINC000178293763 432717075 /nfs/dbraw/zinc/71/70/75/432717075.db2.gz XQOMCZJBICUZQD-UHFFFAOYSA-N 0 0 312.369 3.066 20 10 DGCDRN Cc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(C)c1 ZINC000187616986 432673268 /nfs/dbraw/zinc/67/32/68/432673268.db2.gz OADNKPDWKWPJAV-CYBMUJFWSA-N 0 0 314.385 3.467 20 10 DGCDRN CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187805568 432686678 /nfs/dbraw/zinc/68/66/78/432686678.db2.gz RYFVRBFAIPIMIO-ZUZCIYMTSA-N 0 0 301.377 3.364 20 10 DGCDRN Cc1cccc(C)c1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000188905774 432752198 /nfs/dbraw/zinc/75/21/98/432752198.db2.gz FWBOAEVWSRVMHC-UHFFFAOYSA-N 0 0 310.397 3.409 20 10 DGCDRN Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2cccc(O)c2O)C1 ZINC000185697280 292670688 /nfs/dbraw/zinc/67/06/88/292670688.db2.gz NEWDXYJUZQZZTK-UONOGXRCSA-N 0 0 311.381 3.424 20 10 DGCDRN C[C@@H]([NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-])c1ncnn1C ZINC000276634586 432823408 /nfs/dbraw/zinc/82/34/08/432823408.db2.gz OBZRRQHXPMKTBH-HTQZYQBOSA-N 0 0 315.204 3.239 20 10 DGCDRN CCOC1CC(CC[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])C1 ZINC000276709342 432824771 /nfs/dbraw/zinc/82/47/71/432824771.db2.gz WMVJFIYLNWQFJH-OPFPJEHXSA-N 0 0 321.417 3.035 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C/c1ccn(C)c1 ZINC000277133144 432829853 /nfs/dbraw/zinc/82/98/53/432829853.db2.gz UPGWPKJXKDCHAG-DHZHZOJOSA-N 0 0 311.429 3.153 20 10 DGCDRN C[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H]1C ZINC000267790625 432837468 /nfs/dbraw/zinc/83/74/68/432837468.db2.gz VDSYQJOMGFIXJC-GJZGRUSLSA-N 0 0 301.434 3.084 20 10 DGCDRN Nc1ccc(CC(=O)N(Cc2ccccc2)C[C@H]2CCCO2)cc1 ZINC000237881036 432803175 /nfs/dbraw/zinc/80/31/75/432803175.db2.gz IWTDMZYSAXGOQM-LJQANCHMSA-N 0 0 324.424 3.019 20 10 DGCDRN CC(C)[C@@H](C)CC(=O)NCc1cccc(Br)c1O ZINC000277558611 432860676 /nfs/dbraw/zinc/86/06/76/432860676.db2.gz PCRLBIQHGJKROC-JTQLQIEISA-N 0 0 314.223 3.453 20 10 DGCDRN COc1cccc(N2CC[C@@H]([NH2+][C@@H]3CCc4cccc(O)c43)C2)c1 ZINC000296225446 432885785 /nfs/dbraw/zinc/88/57/85/432885785.db2.gz AHJOOFWKVUMHTQ-CRAIPNDOSA-N 0 0 324.424 3.257 20 10 DGCDRN CCN(CC)c1ccc(CNCc2cc(F)ncc2F)cc1 ZINC000296261285 432889753 /nfs/dbraw/zinc/88/97/53/432889753.db2.gz DIYUMGUFWDYOTM-UHFFFAOYSA-N 0 0 305.372 3.496 20 10 DGCDRN CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278369207 432891489 /nfs/dbraw/zinc/89/14/89/432891489.db2.gz BYUNYPIBLQJQHP-BDAKNGLRSA-N 0 0 319.232 3.216 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC1CC(C)C1 ZINC000268063682 432841909 /nfs/dbraw/zinc/84/19/09/432841909.db2.gz ULPCWQZFJQDWCH-UHFFFAOYSA-N 0 0 303.450 3.471 20 10 DGCDRN CC[C@H](C)[C@@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277470777 432853487 /nfs/dbraw/zinc/85/34/87/432853487.db2.gz UVGTVHDGBXMNED-WDEREUQCSA-N 0 0 324.808 3.244 20 10 DGCDRN C[C@@H](c1ccc(F)cc1[O-])[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000296587636 432923137 /nfs/dbraw/zinc/92/31/37/432923137.db2.gz UTSHJXTWWGWKMO-QWHCGFSZSA-N 0 0 322.424 3.206 20 10 DGCDRN C[C@@H](c1ccc(F)cc1[O-])[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000296587637 432923297 /nfs/dbraw/zinc/92/32/97/432923297.db2.gz UTSHJXTWWGWKMO-STQMWFEESA-N 0 0 322.424 3.206 20 10 DGCDRN Cc1cc(C(=O)NCCC[C@@H](C)O)c(C)n1-c1cccc(C)c1 ZINC000279142049 432939464 /nfs/dbraw/zinc/93/94/64/432939464.db2.gz OMHSKMYVRBEUCX-OAHLLOKOSA-N 0 0 314.429 3.293 20 10 DGCDRN Oc1cccc2c1[C@@H](Nc1ccn(CCc3ccncc3)n1)CC2 ZINC000296957171 432942837 /nfs/dbraw/zinc/94/28/37/432942837.db2.gz RAHYHOMRBMLTOR-INIZCTEOSA-N 0 0 320.396 3.326 20 10 DGCDRN c1cc(N2CCCC2)ccc1OCc1nnc2n1CCCCC2 ZINC000278644218 432897889 /nfs/dbraw/zinc/89/78/89/432897889.db2.gz LUHQWGWTYDNMJY-UHFFFAOYSA-N 0 0 312.417 3.184 20 10 DGCDRN COCc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)c1 ZINC000278837828 432906924 /nfs/dbraw/zinc/90/69/24/432906924.db2.gz JIQISKSREYGGIX-UHFFFAOYSA-N 0 0 318.329 3.068 20 10 DGCDRN O=C(N[C@H]1CCCc2sccc21)c1c(F)ccc(O)c1O ZINC000296432727 432907878 /nfs/dbraw/zinc/90/78/78/432907878.db2.gz YOYVTNYXVHVPKV-JTQLQIEISA-N 0 0 307.346 3.106 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]2CF)cc1 ZINC000296514078 432917593 /nfs/dbraw/zinc/91/75/93/432917593.db2.gz ZPEWNOGYWAERNS-MRXNPFEDSA-N 0 0 307.413 3.176 20 10 DGCDRN CCOc1ccc(O)c(CN2CCCC[C@@H]2c2nc(C)no2)c1 ZINC000289666642 432971112 /nfs/dbraw/zinc/97/11/12/432971112.db2.gz DDIQQXVBNPOHTP-OAHLLOKOSA-N 0 0 317.389 3.210 20 10 DGCDRN CCCOc1ccc(CNCc2csc(COC)n2)c(O)c1 ZINC000289684408 432971433 /nfs/dbraw/zinc/97/14/33/432971433.db2.gz CRYYSPIHSJLWGB-UHFFFAOYSA-N 0 0 322.430 3.074 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1O ZINC000289721576 432972504 /nfs/dbraw/zinc/97/25/04/432972504.db2.gz JRAFFRCNDZSJDC-RDJZCZTQSA-N 0 0 321.392 3.123 20 10 DGCDRN COCC[N@H+](Cc1ccccn1)Cc1cccc(Cl)c1[O-] ZINC000289709627 432973292 /nfs/dbraw/zinc/97/32/92/432973292.db2.gz GPTMGUQXXLTUPD-UHFFFAOYSA-N 0 0 306.793 3.089 20 10 DGCDRN CCOCc1nc([C@H](C)N[C@@H](CC)c2ccc(F)cc2O)no1 ZINC000290034564 432982887 /nfs/dbraw/zinc/98/28/87/432982887.db2.gz DCQVDKYKMDZPJG-GWCFXTLKSA-N 0 0 323.368 3.253 20 10 DGCDRN CCCn1ccnc1CCC[N@H+](C)Cc1cc(C)ccc1O ZINC000290323660 433032670 /nfs/dbraw/zinc/03/26/70/433032670.db2.gz DFRQXEQKXHLASG-UHFFFAOYSA-N 0 0 301.434 3.372 20 10 DGCDRN C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)c1cccc(O)c1O ZINC000295297018 289032055 /nfs/dbraw/zinc/03/20/55/289032055.db2.gz GSNQRVHDFSRKLB-AEJSXWLSSA-N 0 0 317.307 3.289 20 10 DGCDRN CC[C@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)OC ZINC000290968361 433212001 /nfs/dbraw/zinc/21/20/01/433212001.db2.gz BKZRIZFPVMSPLI-QGZVFWFLSA-N 0 0 321.465 3.098 20 10 DGCDRN Cc1nnc(N(C)Cc2ccccc2O)n1CCc1ccccc1 ZINC000290991121 433215746 /nfs/dbraw/zinc/21/57/46/433215746.db2.gz KPFOENDGDYWSCC-UHFFFAOYSA-N 0 0 322.412 3.171 20 10 DGCDRN COCC1(CNC(=O)N(C)Cc2ccccc2O)CCCCC1 ZINC000291341255 433233963 /nfs/dbraw/zinc/23/39/63/433233963.db2.gz VIHLKGFWCADEDL-UHFFFAOYSA-N 0 0 320.433 3.131 20 10 DGCDRN COc1ccc2c(c1)CCCCN2Cc1cn(C(C)C)nn1 ZINC000291492582 433248474 /nfs/dbraw/zinc/24/84/74/433248474.db2.gz GUNUJEMJGBIVFL-UHFFFAOYSA-N 0 0 300.406 3.211 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)/C=C/c1cncs1 ZINC000281598101 433316842 /nfs/dbraw/zinc/31/68/42/433316842.db2.gz AABHJJWIUFAUOR-BQYQJAHWSA-N 0 0 302.399 3.301 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OCC(=O)NCC3CCC3)cc12 ZINC000421195990 433457342 /nfs/dbraw/zinc/45/73/42/433457342.db2.gz IPVNHCOTUZYXQQ-UHFFFAOYSA-N 0 0 300.402 3.090 20 10 DGCDRN CN(C)c1ccc(CNc2ncc([N+](=O)[O-])cc2Cl)cc1F ZINC000301253392 433471106 /nfs/dbraw/zinc/47/11/06/433471106.db2.gz CIABXVSFOSRMDV-UHFFFAOYSA-N 0 0 324.743 3.460 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)Nc1cncc(F)c1 ZINC000282038074 433475219 /nfs/dbraw/zinc/47/52/19/433475219.db2.gz UHBBIYHYUCJCFQ-UHFFFAOYSA-N 0 0 314.364 3.143 20 10 DGCDRN Cc1nc(C2(NCc3ccc(N(C)C)c(C)c3)CCCC2)no1 ZINC000292902466 433605660 /nfs/dbraw/zinc/60/56/60/433605660.db2.gz WCWZKVIVDWRHGU-UHFFFAOYSA-N 0 0 314.433 3.312 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCCC12CCOCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000282702931 433623914 /nfs/dbraw/zinc/62/39/14/433623914.db2.gz KZKJKWRMFXFFNF-MLGOLLRUSA-N 0 0 320.389 3.300 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cnc(Cl)cn1 ZINC000283109829 433665270 /nfs/dbraw/zinc/66/52/70/433665270.db2.gz UJGVQCBBGXAKEC-UHFFFAOYSA-N 0 0 319.792 3.278 20 10 DGCDRN Cc1nnc([C@@H](C)[NH2+]Cc2cc(Cl)c(F)cc2[O-])s1 ZINC000293624620 433805751 /nfs/dbraw/zinc/80/57/51/433805751.db2.gz MUQFFPQCHLSVEB-ZCFIWIBFSA-N 0 0 301.774 3.195 20 10 DGCDRN Oc1ccc(CCNc2cc(Cl)nc(C3CC3)n2)cc1O ZINC000301984554 433806292 /nfs/dbraw/zinc/80/62/92/433806292.db2.gz YRHAEBLVUZBZQR-UHFFFAOYSA-N 0 0 305.765 3.073 20 10 DGCDRN Cc1noc([C@H]2CCCN2Cc2ccc(N(C)C)c(C)c2)n1 ZINC000293635713 433812735 /nfs/dbraw/zinc/81/27/35/433812735.db2.gz RJSAFRRFAOTFON-MRXNPFEDSA-N 0 0 300.406 3.090 20 10 DGCDRN COC(=O)c1ccc(N[C@@H](C)c2ccc(N(C)C)cc2)nc1C ZINC000302389824 433821506 /nfs/dbraw/zinc/82/15/06/433821506.db2.gz JBUJZVNXIGBHFU-LBPRGKRZSA-N 0 0 313.401 3.416 20 10 DGCDRN CC(C)c1[nH]ccc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000285156255 433918140 /nfs/dbraw/zinc/91/81/40/433918140.db2.gz LCXWPVOXWXDHOS-UHFFFAOYSA-N 0 0 311.429 3.451 20 10 DGCDRN Cc1ccc(C(=O)N2CC(C)(C)[C@H]2c2ccncc2)c(O)c1O ZINC000293921881 433924747 /nfs/dbraw/zinc/92/47/47/433924747.db2.gz NECSTDHILGOTOR-MRXNPFEDSA-N 0 0 312.369 3.025 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000363096452 433972080 /nfs/dbraw/zinc/97/20/80/433972080.db2.gz SSWYWXLNSUBDCC-IAGOWNOFSA-N 0 0 312.413 3.498 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1noc2c1CCCC2 ZINC000294053146 433979252 /nfs/dbraw/zinc/97/92/52/433979252.db2.gz XFSSKQCKHGLEDZ-UHFFFAOYSA-N 0 0 310.756 3.341 20 10 DGCDRN CCC[C@]1(CO)CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000377836109 434015293 /nfs/dbraw/zinc/01/52/93/434015293.db2.gz YYZRVNIYOSHZOQ-HNNXBMFYSA-N 0 0 301.789 3.169 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000285703037 434044084 /nfs/dbraw/zinc/04/40/84/434044084.db2.gz PCXPXMAXSLTTKP-NVXWUHKLSA-N 0 0 307.340 3.445 20 10 DGCDRN Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273605878 293933307 /nfs/dbraw/zinc/93/33/07/293933307.db2.gz TZXRWYLBMPIWDL-ZJUUUORDSA-N 0 0 319.361 3.187 20 10 DGCDRN CC(C)C[C@@H](C)OC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000294338715 434093632 /nfs/dbraw/zinc/09/36/32/434093632.db2.gz JROTXYVPEOHBBO-OAHLLOKOSA-N 0 0 320.433 3.184 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)C2(C(F)(F)F)CCC2)cc1 ZINC000294582440 434119880 /nfs/dbraw/zinc/11/98/80/434119880.db2.gz YBLWFIXHPFDGIK-UHFFFAOYSA-N 0 0 314.351 3.444 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)CCCC(=O)C(C)(C)C)cc1 ZINC000294572841 434120761 /nfs/dbraw/zinc/12/07/61/434120761.db2.gz XNLSLPUFZOGFPK-UHFFFAOYSA-N 0 0 318.461 3.497 20 10 DGCDRN CC(C)(C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1)C(N)=O ZINC000294677450 434126089 /nfs/dbraw/zinc/12/60/89/434126089.db2.gz BFVWQHOETCHLOE-GFCCVEGCSA-N 0 0 324.852 3.159 20 10 DGCDRN Cc1ccc([C@@H](C)NCc2ncn(-c3ccccc3)n2)c(O)c1C ZINC000294875833 434151005 /nfs/dbraw/zinc/15/10/05/434151005.db2.gz DBTIEAKKABAVHT-OAHLLOKOSA-N 0 0 322.412 3.441 20 10 DGCDRN CCN(CC)c1ccc(CNCc2nnc(C(C)C)[nH]2)cc1F ZINC000294915843 434155510 /nfs/dbraw/zinc/15/55/10/434155510.db2.gz YJJQFTVAJUSYSE-UHFFFAOYSA-N 0 0 319.428 3.203 20 10 DGCDRN CC[C@H](NCc1ncc(C(F)(F)F)cn1)c1ccccc1O ZINC000295068159 434179195 /nfs/dbraw/zinc/17/91/95/434179195.db2.gz QTTHFKBAGPMITA-LBPRGKRZSA-N 0 0 311.307 3.442 20 10 DGCDRN COc1cc(Cl)cc(CNc2cnc3c(c2)COCC3)c1O ZINC000363933469 434186930 /nfs/dbraw/zinc/18/69/30/434186930.db2.gz UNECOLAZBQWXPI-UHFFFAOYSA-N 0 0 320.776 3.134 20 10 DGCDRN CC[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cccc(Cl)c1[O-] ZINC000287115064 434305590 /nfs/dbraw/zinc/30/55/90/434305590.db2.gz QSJPOMXCEFOFID-ZUOKHONESA-N 0 0 315.866 3.388 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](CCO)COC)c1cc(Cl)cc(Cl)c1[O-] ZINC000287281815 434324832 /nfs/dbraw/zinc/32/48/32/434324832.db2.gz BMOZJFBDIMEDOU-GXFFZTMASA-N 0 0 322.232 3.137 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@]1(C)CCCCO1 ZINC000457764939 434335665 /nfs/dbraw/zinc/33/56/65/434335665.db2.gz MOBWNGMUHPCWJL-GOSISDBHSA-N 0 0 300.402 3.062 20 10 DGCDRN COc1ccc(CNC(=O)[C@H]2C[C@@H]2c2sccc2C)c(O)c1 ZINC000366543037 434448245 /nfs/dbraw/zinc/44/82/45/434448245.db2.gz ZDVXPFIYWUWFCK-KBPBESRZSA-N 0 0 317.410 3.191 20 10 DGCDRN COc1ncc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1Cl ZINC000295843760 434440475 /nfs/dbraw/zinc/44/04/75/434440475.db2.gz ARSKDJZBQGHVHX-VIFPVBQESA-N 0 0 310.756 3.439 20 10 DGCDRN COC(=O)c1cnc(SC[C@@H](O)c2ccc(C)cc2)s1 ZINC000295983242 434462465 /nfs/dbraw/zinc/46/24/65/434462465.db2.gz KGXHVIAWZDLIHQ-LLVKDONJSA-N 0 0 309.412 3.064 20 10 DGCDRN COc1cccc(CN2CCSC[C@@H]2c2nccs2)c1O ZINC000186645136 295297835 /nfs/dbraw/zinc/29/78/35/295297835.db2.gz WBSAOZXLKGOWME-GFCCVEGCSA-N 0 0 322.455 3.147 20 10 DGCDRN CN(C)c1ccc(CN2CCOC[C@@H]2c2ccco2)cc1F ZINC000369773071 434601243 /nfs/dbraw/zinc/60/12/43/434601243.db2.gz OWFSSUXCWHTDMP-MRXNPFEDSA-N 0 0 304.365 3.058 20 10 DGCDRN C[C@H]1CCC[C@]1(C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000410533578 434652327 /nfs/dbraw/zinc/65/23/27/434652327.db2.gz JTOZOGCYDJPVFD-UGSOOPFHSA-N 0 0 302.418 3.304 20 10 DGCDRN Cc1nc([C@H]2CCCCN2Cc2ccc(N(C)C)c(F)c2)no1 ZINC000372435620 434828370 /nfs/dbraw/zinc/82/83/70/434828370.db2.gz MILVFOJFWAFQFB-MRXNPFEDSA-N 0 0 318.396 3.310 20 10 DGCDRN COc1cncc(/C=C\C(=O)N(C)c2ccc3cc[nH]c3c2)c1 ZINC000492016664 434900441 /nfs/dbraw/zinc/90/04/41/434900441.db2.gz HBWKGYPALXOZNJ-UTCJRWHESA-N 0 0 307.353 3.248 20 10 DGCDRN COc1cc(OC)cc(N(C)C(=O)/C=C\c2scnc2C)c1 ZINC000492035725 434904013 /nfs/dbraw/zinc/90/40/13/434904013.db2.gz XCXQTLYIAIIPLR-WAYWQWQTSA-N 0 0 318.398 3.145 20 10 DGCDRN O=C(/C=C/c1cnccn1)N(CC(F)F)c1cccc(Cl)c1 ZINC000492081782 434911665 /nfs/dbraw/zinc/91/16/65/434911665.db2.gz CLJAZIVOONFPRM-SNAWJCMRSA-N 0 0 323.730 3.442 20 10 DGCDRN CN(C(=O)/C=C/c1cnccn1)c1cc(Cl)cc(Cl)c1 ZINC000491826806 434866733 /nfs/dbraw/zinc/86/67/33/434866733.db2.gz BOOBSULPJSJDTI-NSCUHMNNSA-N 0 0 308.168 3.460 20 10 DGCDRN C[C@@H]1[C@@H](C(=O)NCc2cccc(Br)c2O)[C@@H]1C1CC1 ZINC000529170887 435033854 /nfs/dbraw/zinc/03/38/54/435033854.db2.gz MAPQNCOENCBMRG-AQUOVQTQSA-N 0 0 324.218 3.063 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C\c2ccc(C)nc2)cc1OC ZINC000492429828 434980707 /nfs/dbraw/zinc/98/07/07/434980707.db2.gz RZMDFTJFBVBHMM-YFHOEESVSA-N 0 0 312.369 3.083 20 10 DGCDRN Cc1ccncc1/C=C\C(=O)N1C[C@H](C)C(=O)Nc2ccccc21 ZINC000492527868 435003628 /nfs/dbraw/zinc/00/36/28/435003628.db2.gz GJRKTYYQZFNJJK-DANTVBBOSA-N 0 0 321.380 3.025 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C/c2cnccc2C)cc1OC ZINC000492533049 435005558 /nfs/dbraw/zinc/00/55/58/435005558.db2.gz MDYBTRQSSPZZGZ-VMPITWQZSA-N 0 0 312.369 3.083 20 10 DGCDRN CCc1cc(C(=O)NCc2c(C)c3ccccc3n2C)c(C)nn1 ZINC000527184269 435010416 /nfs/dbraw/zinc/01/04/16/435010416.db2.gz YYNIARBYALXBAK-UHFFFAOYSA-N 0 0 322.412 3.078 20 10 DGCDRN Oc1ccc(Cl)cc1CN1CCc2nc(C3CC3)ncc2C1 ZINC000529666575 435039228 /nfs/dbraw/zinc/03/92/28/435039228.db2.gz WZENOHIRHYPLRJ-UHFFFAOYSA-N 0 0 315.804 3.271 20 10 DGCDRN O=C(C=Cc1c[nH]cn1)N1CCc2c1cccc2C(F)(F)F ZINC000492812733 435054145 /nfs/dbraw/zinc/05/41/45/435054145.db2.gz NPKZUNLCRYVKJU-PLNGDYQASA-N 0 0 307.275 3.031 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C/c2cncs2)cc1Cl ZINC000493084544 435105821 /nfs/dbraw/zinc/10/58/21/435105821.db2.gz LIMIELNGFBWUKY-GQCTYLIASA-N 0 0 308.790 3.481 20 10 DGCDRN CO[C@H]1Cc2ccccc2N(C(=O)/C=C\c2cncc(C)c2)C1 ZINC000493282523 435140629 /nfs/dbraw/zinc/14/06/29/435140629.db2.gz GIIXMBMBVIJUKM-QWPQOLDESA-N 0 0 308.381 3.008 20 10 DGCDRN CSc1cccc(N(C)C(=O)c2c[nH]nc2-c2cccnc2)c1 ZINC000541425707 435643085 /nfs/dbraw/zinc/64/30/85/435643085.db2.gz SFMXSQYSIMKBJD-UHFFFAOYSA-N 0 0 324.409 3.470 20 10 DGCDRN CCN(C(=O)/C=C/c1cccnc1)c1ccc(OC)c(OC)c1 ZINC000490854162 435683800 /nfs/dbraw/zinc/68/38/00/435683800.db2.gz BWHGVFFFIZXDSS-JXMROGBWSA-N 0 0 312.369 3.165 20 10 DGCDRN CCN(C(=O)/C=C\c1cncc(F)c1)c1ccccc1OC ZINC000491508558 435763547 /nfs/dbraw/zinc/76/35/47/435763547.db2.gz XUQOUVKTAOWHTA-HJWRWDBZSA-N 0 0 300.333 3.296 20 10 DGCDRN Cn1c2ccc(OCC(=O)N3CCCC3)cc2c2c1CCCC2 ZINC000647164418 435957388 /nfs/dbraw/zinc/95/73/88/435957388.db2.gz USOCPYNLLPKRCE-UHFFFAOYSA-N 0 0 312.413 3.058 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccccc1 ZINC000025075406 331600908 /nfs/dbraw/zinc/60/09/08/331600908.db2.gz UKLLIWAFBAVPEG-UHFFFAOYSA-N 0 0 311.429 3.484 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC2CCC1CC2 ZINC000560084417 332309891 /nfs/dbraw/zinc/30/98/91/332309891.db2.gz SQKWGFXACZLQEZ-XUJLQICISA-N 0 0 314.429 3.304 20 10 DGCDRN COCC1(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000293597735 335109706 /nfs/dbraw/zinc/10/97/06/335109706.db2.gz DDVCPZULJITCDI-LBPRGKRZSA-N 0 0 308.378 3.158 20 10 DGCDRN CCN(C(=O)/C=C/c1cnc2ccccc2n1)c1cccnc1 ZINC000104400291 336254289 /nfs/dbraw/zinc/25/42/89/336254289.db2.gz GYICAJONVILPHD-MDZDMXLPSA-N 0 0 304.353 3.091 20 10 DGCDRN CCOc1cccc(CCC(=O)N(C)Cc2ccccc2O)c1 ZINC000528822580 340735907 /nfs/dbraw/zinc/73/59/07/340735907.db2.gz CNNFECCQDFNLGG-UHFFFAOYSA-N 0 0 313.397 3.382 20 10 DGCDRN C[C@@H]1[C@H](C(=O)NCc2cccc(Br)c2O)[C@H]1C1CC1 ZINC000529170890 340747528 /nfs/dbraw/zinc/74/75/28/340747528.db2.gz MAPQNCOENCBMRG-CKLFPEKLSA-N 0 0 324.218 3.063 20 10 DGCDRN C[C@@H]1[C@H](C(=O)NCc2cc(Br)ccc2O)[C@H]1C1CC1 ZINC000529391529 340753883 /nfs/dbraw/zinc/75/38/83/340753883.db2.gz ZYSWRIWNUASDHS-PCTYZZJISA-N 0 0 324.218 3.063 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C/c2cncc(C)c2)cc1F ZINC000132871001 341147936 /nfs/dbraw/zinc/14/79/36/341147936.db2.gz MTMKCZKSHLPMPO-QPJJXVBHSA-N 0 0 300.333 3.214 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(C)nc1C ZINC000348697237 533970504 /nfs/dbraw/zinc/97/05/04/533970504.db2.gz HUCMJIFTMFUMHQ-UHFFFAOYSA-N 0 0 307.397 3.429 20 10 DGCDRN C/C=C(\C)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000267544738 518482168 /nfs/dbraw/zinc/48/21/68/518482168.db2.gz BQEZRPPCMXXLOB-NUIMBWKGSA-N 0 0 320.408 3.022 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1C[C@@H]1C ZINC000266811523 519655019 /nfs/dbraw/zinc/65/50/19/519655019.db2.gz WHBFMNNWMYJLBP-GOEBONIOSA-N 0 0 303.450 3.329 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1C[C@H]1C ZINC000266811526 519655351 /nfs/dbraw/zinc/65/53/51/519655351.db2.gz WHBFMNNWMYJLBP-ZBFHGGJFSA-N 0 0 303.450 3.329 20 10 DGCDRN CC(C)Oc1ccc(N(C)CC(=O)N(C)c2nccs2)cc1 ZINC000191598301 519780300 /nfs/dbraw/zinc/78/03/00/519780300.db2.gz VRDPZCCPGHPYKU-UHFFFAOYSA-N 0 0 319.430 3.030 20 10 DGCDRN CC(C)[C@@H](C(=O)NCCc1ccc(O)c(O)c1)c1ccccc1 ZINC000130127933 519789054 /nfs/dbraw/zinc/78/90/54/519789054.db2.gz HXZKOTORLUCGBD-GOSISDBHSA-N 0 0 313.397 3.196 20 10 DGCDRN CC(C)[C@@H](Cc1ccccc1)C(=O)NCCc1ccc(N)cc1 ZINC000236715526 519796030 /nfs/dbraw/zinc/79/60/30/519796030.db2.gz AVVSSDBJZBOBPO-LJQANCHMSA-N 0 0 310.441 3.442 20 10 DGCDRN Oc1ccccc1CN1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000179568458 534457193 /nfs/dbraw/zinc/45/71/93/534457193.db2.gz UAUJEJLZFOAROT-QGZVFWFLSA-N 0 0 305.324 3.244 20 10 DGCDRN CCOCc1nnc(NCc2ccc(N3CCCCC3)cc2)o1 ZINC000181843855 520226573 /nfs/dbraw/zinc/22/65/73/520226573.db2.gz QYUMMGGWLJRKJU-UHFFFAOYSA-N 0 0 316.405 3.209 20 10 DGCDRN Cc1nc(NCc2ccc3c(c2)CCCN3C)ccc1[N+](=O)[O-] ZINC000301636704 534492647 /nfs/dbraw/zinc/49/26/47/534492647.db2.gz LCAXPTPIVUYEAO-UHFFFAOYSA-N 0 0 312.373 3.293 20 10 DGCDRN CCCS(=O)(=O)CCSc1ncc(C(C)(C)C)s1 ZINC000164293696 520515005 /nfs/dbraw/zinc/51/50/05/520515005.db2.gz JFFHDGDGXULNKZ-UHFFFAOYSA-N 0 0 307.506 3.358 20 10 DGCDRN CCC[C@@H](C)N(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000264785059 520636911 /nfs/dbraw/zinc/63/69/11/520636911.db2.gz UZPOHTRGXHSHHI-YCABEKBOSA-N 0 0 316.445 3.183 20 10 DGCDRN CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000179936126 520659417 /nfs/dbraw/zinc/65/94/17/520659417.db2.gz XHYOMWAHOKDSJL-CQSZACIVSA-N 0 0 324.852 3.174 20 10 DGCDRN CCCCSCCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183461115 520950582 /nfs/dbraw/zinc/95/05/82/520950582.db2.gz CQHPSGNPLFBDFW-LBPRGKRZSA-N 0 0 311.447 3.068 20 10 DGCDRN CCC[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)C(C)C ZINC000134364049 520981319 /nfs/dbraw/zinc/98/13/19/520981319.db2.gz RZQUOPDISSNGDP-SFHVURJKSA-N 0 0 318.461 3.212 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)COC(C)(C)C)cc2)CC1 ZINC000181719395 521039978 /nfs/dbraw/zinc/03/99/78/521039978.db2.gz BPUTYRKXPOOMML-UHFFFAOYSA-N 0 0 318.461 3.354 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)Nc3ccon3)cc2)CC1 ZINC000183601700 521042050 /nfs/dbraw/zinc/04/20/50/521042050.db2.gz IGPFYYQMJNXNPP-UHFFFAOYSA-N 0 0 314.389 3.233 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCSC1 ZINC000267286714 521318111 /nfs/dbraw/zinc/31/81/11/521318111.db2.gz HZSMDEPKHOERDL-OAHLLOKOSA-N 0 0 321.490 3.180 20 10 DGCDRN CCOc1cccc([C@@H](C)NC(=O)NCc2ccccc2O)c1 ZINC000263740663 521411128 /nfs/dbraw/zinc/41/11/28/521411128.db2.gz OGWIHEXEVMZNQS-CYBMUJFWSA-N 0 0 314.385 3.351 20 10 DGCDRN CCCN(CCC)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000127906632 521638739 /nfs/dbraw/zinc/63/87/39/521638739.db2.gz WDEYACAVFXOABU-UHFFFAOYSA-N 0 0 301.434 3.394 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(Cl)cn1 ZINC000126582635 521690037 /nfs/dbraw/zinc/69/00/37/521690037.db2.gz NUGPPZPZGQWRSK-UHFFFAOYSA-N 0 0 304.777 3.493 20 10 DGCDRN CCS[C@@H]1CCC[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180843751 521724398 /nfs/dbraw/zinc/72/43/98/521724398.db2.gz NKLLVTWWYUKHRX-BIYBCCJYSA-N 0 0 321.442 3.292 20 10 DGCDRN Cc1cnc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)nc1C ZINC000301858743 534590644 /nfs/dbraw/zinc/59/06/44/534590644.db2.gz DSHDQUSIYPUOJA-HNNXBMFYSA-N 0 0 312.417 3.103 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCCC3)ccc21 ZINC000264078027 522058628 /nfs/dbraw/zinc/05/86/28/522058628.db2.gz HMFGVTPTSLZHPH-UHFFFAOYSA-N 0 0 300.402 3.141 20 10 DGCDRN CC[C@H](CSC)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000180803124 522277672 /nfs/dbraw/zinc/27/76/72/522277672.db2.gz BOUWJJQRWYAZRT-OAHLLOKOSA-N 0 0 321.490 3.228 20 10 DGCDRN COC[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(C)o1 ZINC000266960483 522364931 /nfs/dbraw/zinc/36/49/31/522364931.db2.gz JWZVKURDPITSCX-OAHLLOKOSA-N 0 0 306.381 3.270 20 10 DGCDRN CC[C@@H]([NH2+]CCc1cn2c(n1)CCCC2)c1ccc(F)cc1[O-] ZINC000367613966 522843055 /nfs/dbraw/zinc/84/30/55/522843055.db2.gz GPNVTJOQPBAHPT-MRXNPFEDSA-N 0 0 317.408 3.348 20 10 DGCDRN COCCC1(CNC(=O)N(C)Cc2ccccc2O)CCCC1 ZINC000119083951 523032815 /nfs/dbraw/zinc/03/28/15/523032815.db2.gz VOTXFFLJKQXPLS-UHFFFAOYSA-N 0 0 320.433 3.131 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)COC(C)(C)C ZINC000181374512 523263720 /nfs/dbraw/zinc/26/37/20/523263720.db2.gz WDHDAMSAQDAKQO-UHFFFAOYSA-N 0 0 318.461 3.450 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)C1(c2cccnc2)CCCC1 ZINC000365998595 523378387 /nfs/dbraw/zinc/37/83/87/523378387.db2.gz ZRVYGHXGHMIIMD-UHFFFAOYSA-N 0 0 310.397 3.258 20 10 DGCDRN COC(=O)[C@@H](NCc1cc(C)ccc1O)c1ccc(F)c(C)c1 ZINC000189605911 523632746 /nfs/dbraw/zinc/63/27/46/523632746.db2.gz JUDYQXZUJYLOPE-KRWDZBQOSA-N 0 0 317.360 3.152 20 10 DGCDRN CCc1ccc(C(C)(C)C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000182543749 523900147 /nfs/dbraw/zinc/90/01/47/523900147.db2.gz BNJWOVPHPDGOBG-UHFFFAOYSA-N 0 0 313.397 3.254 20 10 DGCDRN CCc1ccc(C(C)(C)C(=O)NCCc2ccc(N)cc2)cc1 ZINC000237148165 523900281 /nfs/dbraw/zinc/90/02/81/523900281.db2.gz JJDKSVHLPXGMCG-UHFFFAOYSA-N 0 0 310.441 3.468 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H]1CC[C@@H](O)C1 ZINC000191364557 524219044 /nfs/dbraw/zinc/21/90/44/524219044.db2.gz WSVYLBAXSLGRHS-UONOGXRCSA-N 0 0 318.442 3.046 20 10 DGCDRN C[C@H]1CC[C@@H](CCC(=O)N(C)Cc2ccc(N(C)C)cc2)O1 ZINC000175004121 524347447 /nfs/dbraw/zinc/34/74/47/524347447.db2.gz PQEIRHKVPPEUPU-YOEHRIQHSA-N 0 0 304.434 3.059 20 10 DGCDRN Cc1cccc(CNCc2cc(COC(C)(C)C)on2)c1O ZINC000188657768 524432959 /nfs/dbraw/zinc/43/29/59/524432959.db2.gz ARTKMCGETXZHGM-UHFFFAOYSA-N 0 0 304.390 3.294 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)c1cccc(F)c1 ZINC000183452713 524893670 /nfs/dbraw/zinc/89/36/70/524893670.db2.gz DOKRJZCVCKJPQA-RYUDHWBXSA-N 0 0 317.360 3.088 20 10 DGCDRN C[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180789160 524973138 /nfs/dbraw/zinc/97/31/38/524973138.db2.gz SRBCKDVDFHXUQJ-QVAQIGNMSA-N 0 0 301.386 3.291 20 10 DGCDRN CSC(C)(C)CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000175641109 525288968 /nfs/dbraw/zinc/28/89/68/525288968.db2.gz JWQOUTPWNLXFLM-UHFFFAOYSA-N 0 0 321.490 3.228 20 10 DGCDRN C[S@](=O)C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])c1ccccc1 ZINC000182099765 525389023 /nfs/dbraw/zinc/38/90/23/525389023.db2.gz IJYKAEOPHJBUSM-BTYIYWSLSA-N 0 0 323.845 3.255 20 10 DGCDRN CSC[C@@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000265558706 525627692 /nfs/dbraw/zinc/62/76/92/525627692.db2.gz LCXNDMFGIZEDSU-CYBMUJFWSA-N 0 0 321.490 3.178 20 10 DGCDRN Oc1ccc(F)cc1CN1CCO[C@H](c2ccc(F)cc2)C1 ZINC000179936444 526349532 /nfs/dbraw/zinc/34/95/32/526349532.db2.gz KOMRBGQTQAVGHX-KRWDZBQOSA-N 0 0 305.324 3.244 20 10 DGCDRN Cc1csc([C@@H]2COCCN2Cc2cc(C)ccc2O)n1 ZINC000190413406 526425462 /nfs/dbraw/zinc/42/54/62/526425462.db2.gz UOAJKQBLLQVYEX-AWEZNQCLSA-N 0 0 304.415 3.039 20 10 DGCDRN Cc1csc([C@H](NC(=O)c2ccc(C)c(O)c2O)C2CC2)n1 ZINC000179517659 526439851 /nfs/dbraw/zinc/43/98/51/526439851.db2.gz ZTAUVERYRLVRPA-GFCCVEGCSA-N 0 0 318.398 3.052 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[N@H+](C)CCc2ccccn2)c1[O-] ZINC000126771643 527206567 /nfs/dbraw/zinc/20/65/67/527206567.db2.gz LYXMHAFCFFPCRA-UHFFFAOYSA-N 0 0 318.804 3.318 20 10 DGCDRN Nc1ccc(CCNC(=O)[C@H]2C[C@@]23CCCc2ccccc23)cc1 ZINC000238079091 527481256 /nfs/dbraw/zinc/48/12/56/527481256.db2.gz XPGUKAYQIFUUNW-TZIWHRDSSA-N 0 0 320.436 3.222 20 10 DGCDRN CCCCCN(CCCOC)C(=O)c1ccc(C)c(O)c1O ZINC000272967087 528170898 /nfs/dbraw/zinc/17/08/98/528170898.db2.gz KJMSCEAUGQDOGT-UHFFFAOYSA-N 0 0 309.406 3.075 20 10 DGCDRN CCOC(=O)c1ccc(N[C@@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000302462202 528239239 /nfs/dbraw/zinc/23/92/39/528239239.db2.gz VKHKYPSNHMVSEC-ZDUSSCGKSA-N 0 0 313.401 3.497 20 10 DGCDRN CCNC(=O)c1ccc(N[C@@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000302436800 528260201 /nfs/dbraw/zinc/26/02/01/528260201.db2.gz QPUZBIUBRMTXRA-ZDUSSCGKSA-N 0 0 312.417 3.070 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCC(=O)C[C@H]2C)cc1 ZINC000179547657 528306179 /nfs/dbraw/zinc/30/61/79/528306179.db2.gz MMBPZBSXESNPTN-KDOFPFPSSA-N 0 0 316.445 3.154 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)COC1CCCC1 ZINC000282603239 535260111 /nfs/dbraw/zinc/26/01/11/535260111.db2.gz YESYBYLWYIUCPU-UHFFFAOYSA-N 0 0 305.418 3.480 20 10 DGCDRN CCCc1cc(C(=O)NCc2c(C)c3ccccc3n2C)no1 ZINC000451318933 535390913 /nfs/dbraw/zinc/39/09/13/535390913.db2.gz YBGGCHGFISBTQS-UHFFFAOYSA-N 0 0 311.385 3.357 20 10 DGCDRN CCNC(=O)[C@H](C)[NH2+][C@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000286887820 535405759 /nfs/dbraw/zinc/40/57/59/535405759.db2.gz ISNOPZHSIWHQAA-QPUJVOFHSA-N 0 0 319.232 3.264 20 10 DGCDRN CCOCCC1(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000273485589 535488049 /nfs/dbraw/zinc/48/80/49/535488049.db2.gz NHFCHKWFYMXGLM-CYBMUJFWSA-N 0 0 321.417 3.036 20 10 DGCDRN CCOCCN(CC)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472240119 535580487 /nfs/dbraw/zinc/58/04/87/535580487.db2.gz NMDQEHWBFHIFGW-UHFFFAOYSA-N 0 0 317.433 3.055 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000286239905 535804872 /nfs/dbraw/zinc/80/48/72/535804872.db2.gz TYJUETSKFAEMJN-NVXWUHKLSA-N 0 0 303.377 3.176 20 10 DGCDRN CC[C@@H]([NH2+][C@@H]1CC(=O)N(C(C)C)C1)c1cccc(Cl)c1[O-] ZINC000287724831 535808091 /nfs/dbraw/zinc/80/80/91/535808091.db2.gz OSZUXXUOGSQDHH-BXUZGUMPSA-N 0 0 310.825 3.096 20 10 DGCDRN CC[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccc(F)cc1[O-] ZINC000285499292 535808139 /nfs/dbraw/zinc/80/81/39/535808139.db2.gz AFTOIBHERDIBTR-CKEIUWERSA-N 0 0 322.424 3.265 20 10 DGCDRN CC[C@H]([NH2+]CCOc1ncccc1F)c1ccc(F)cc1[O-] ZINC000286191211 535903856 /nfs/dbraw/zinc/90/38/56/535903856.db2.gz QUXUPKSLGUQQEO-AWEZNQCLSA-N 0 0 308.328 3.185 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccc(F)cc1[O-] ZINC000285791348 535936254 /nfs/dbraw/zinc/93/62/54/535936254.db2.gz USHYUERWQUBCDO-LSDHHAIUSA-N 0 0 303.381 3.383 20 10 DGCDRN CN(C(=O)/C=C\c1cncc(F)c1)c1cccc2cccnc21 ZINC000492597835 535940067 /nfs/dbraw/zinc/94/00/67/535940067.db2.gz SKOQFBLJUGFRHQ-FPLPWBNLSA-N 0 0 307.328 3.445 20 10 DGCDRN COCCN(C(=O)/C=C/c1cnc(C)s1)c1ccccc1 ZINC000493871207 536679011 /nfs/dbraw/zinc/67/90/11/536679011.db2.gz OVALNMWUJIFNFF-CMDGGOBGSA-N 0 0 302.399 3.144 20 10 DGCDRN CCN(CC)c1ccc(CNc2ccc(C(=O)[O-])cn2)cc1F ZINC000737847943 574532004 /nfs/dbraw/zinc/53/20/04/574532004.db2.gz AGYMSYYTJJBWNI-UHFFFAOYSA-N 0 0 317.364 3.377 20 10 DGCDRN CCO[C@H](CC)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000731016840 574541672 /nfs/dbraw/zinc/54/16/72/574541672.db2.gz QDMKBOOQKJBEJK-GOSISDBHSA-N 0 0 318.461 3.354 20 10 DGCDRN CCN(CC)c1ccc(CNS(=O)(=O)C2CCCCC2)cc1 ZINC000731216420 574545538 /nfs/dbraw/zinc/54/55/38/574545538.db2.gz ZGUYPMSTRPUJKL-UHFFFAOYSA-N 0 0 324.490 3.285 20 10 DGCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)[C@@H]1C=CCCC1 ZINC000731845053 574560289 /nfs/dbraw/zinc/56/02/89/574560289.db2.gz PSAXYCBCXSGCTE-CQSZACIVSA-N 0 0 309.793 3.129 20 10 DGCDRN COc1ccc(CC[C@H](C)NC(=O)C2=CC(=O)CS2)cc1 ZINC000731871128 574560684 /nfs/dbraw/zinc/56/06/84/574560684.db2.gz DPZKYMZUOHAHLI-NSHDSACASA-N 0 0 305.399 3.213 20 10 DGCDRN Cc1ccc(NC(=O)[C@@H](C)OC(=O)C2=CC(=O)CS2)cc1F ZINC000731910250 574561785 /nfs/dbraw/zinc/56/17/85/574561785.db2.gz QGNNVPFGKUOYPM-SECBINFHSA-N 0 0 323.345 3.085 20 10 DGCDRN COc1ccccc1[C@@H]1CCCN1C(=O)C1=CC(=O)CS1 ZINC000732285156 574570893 /nfs/dbraw/zinc/57/08/93/574570893.db2.gz UFWOSMFAGUBSHQ-ZDUSSCGKSA-N 0 0 303.383 3.440 20 10 DGCDRN CCOc1cc2c(cc1NC(=O)C1=CC(=O)CS1)O[C@@H](C)C2 ZINC000732266532 574569540 /nfs/dbraw/zinc/56/95/40/574569540.db2.gz FSNMFKFVMMZSOK-VIFPVBQESA-N 0 0 319.382 3.428 20 10 DGCDRN O=C(Nc1ccc(-n2cccn2)c(F)c1)C1=CC(=O)CS1 ZINC000732274015 574569994 /nfs/dbraw/zinc/56/99/94/574569994.db2.gz NUWHZYUAMXCPFW-UHFFFAOYSA-N 0 0 303.318 3.031 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000732279376 574570335 /nfs/dbraw/zinc/57/03/35/574570335.db2.gz JYKKMEQWNQAAEZ-UHFFFAOYSA-N 0 0 322.817 3.070 20 10 DGCDRN O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)C1=CC(=O)CS1 ZINC000732282532 574570443 /nfs/dbraw/zinc/57/04/43/574570443.db2.gz PVGKELFEIGTALO-UKRRQHHQSA-N 0 0 303.383 3.104 20 10 DGCDRN O=C(NCC1(c2ccc(F)cc2)CCC1)C1=CC(=O)CS1 ZINC000732281602 574570456 /nfs/dbraw/zinc/57/04/56/574570456.db2.gz SGSZHOAHYNWOKT-UHFFFAOYSA-N 0 0 305.374 3.445 20 10 DGCDRN O=C(OCc1cn2cc(Cl)ccc2n1)C1=CC(=O)CS1 ZINC000732353305 574572077 /nfs/dbraw/zinc/57/20/77/574572077.db2.gz FJVPWRIZPXKQFU-UHFFFAOYSA-N 0 0 308.746 3.112 20 10 DGCDRN C[C@H](OC(=O)C1=CC(=O)CS1)c1nc(-c2cccs2)no1 ZINC000732352769 574572148 /nfs/dbraw/zinc/57/21/48/574572148.db2.gz GKSKFBRORBQRDW-ZETCQYMHSA-N 0 0 322.367 3.483 20 10 DGCDRN Cn1c(COC(=O)C2=CC(=O)CS2)nc2cc(Cl)ccc21 ZINC000732353718 574572199 /nfs/dbraw/zinc/57/21/99/574572199.db2.gz SPWCZRJAMSUEGK-UHFFFAOYSA-N 0 0 322.773 3.351 20 10 DGCDRN CCn1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cn1 ZINC000732528988 574575507 /nfs/dbraw/zinc/57/55/07/574575507.db2.gz JJAFLCXEQGPWOQ-MDWZMJQESA-N 0 0 315.423 3.309 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CC2(C)C)cc1 ZINC000732823436 574584070 /nfs/dbraw/zinc/58/40/70/574584070.db2.gz UJIZWQOLOQKCCT-HNNXBMFYSA-N 0 0 303.450 3.378 20 10 DGCDRN CC[C@@H](C)CS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000733312858 574614984 /nfs/dbraw/zinc/61/49/84/574614984.db2.gz IJTVTEMGXWMTQZ-CQSZACIVSA-N 0 0 324.490 3.093 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)OCCCCO ZINC000733470147 574624647 /nfs/dbraw/zinc/62/46/47/574624647.db2.gz ITABGORIVQCCHL-UHFFFAOYSA-N 0 0 301.386 3.332 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cc3ccccn3c2)cc1F ZINC000733892425 574643236 /nfs/dbraw/zinc/64/32/36/574643236.db2.gz AYIJCDSDWQTXGE-UHFFFAOYSA-N 0 0 311.360 3.074 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NC[C@@H](C)c2ccccc2)c1 ZINC000734065362 574648591 /nfs/dbraw/zinc/64/85/91/574648591.db2.gz VRLMDLSKUWVIJY-CYBMUJFWSA-N 0 0 314.385 3.004 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@H]2CCC[C@@H](C(C)C)C2)c1 ZINC000734070138 574649660 /nfs/dbraw/zinc/64/96/60/574649660.db2.gz CFBDDOPICCKMBJ-HIFRSBDPSA-N 0 0 320.433 3.415 20 10 DGCDRN CN(C)c1cccc(C(=O)NCCCSc2nccs2)c1 ZINC000734358815 574659197 /nfs/dbraw/zinc/65/91/97/574659197.db2.gz QCHTUEHANIMWGZ-UHFFFAOYSA-N 0 0 321.471 3.121 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000734517961 574664461 /nfs/dbraw/zinc/66/44/61/574664461.db2.gz VSVHKMMPELOJNG-SUMWQHHRSA-N 0 0 303.450 3.439 20 10 DGCDRN CN(C)c1ccc(CNC(=S)NC(C2CC2)C2CC2)cc1F ZINC000734758633 574676256 /nfs/dbraw/zinc/67/62/56/574676256.db2.gz SLSNEVXNKCRXRI-UHFFFAOYSA-N 0 0 321.465 3.044 20 10 DGCDRN Cc1cc(CN2CC[S@](=O)[C@@H](C)[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000736600171 574760348 /nfs/dbraw/zinc/76/03/48/574760348.db2.gz SEZVQOOPAOBMBB-QLEMLULZSA-N 0 0 323.502 3.339 20 10 DGCDRN CCN1C(=O)/C(=C\c2cnc3ccc(Cl)cn23)SC1=S ZINC000737444718 574843838 /nfs/dbraw/zinc/84/38/38/574843838.db2.gz SPBKYEPUGXBZGA-BJMVGYQFSA-N 0 0 323.830 3.209 20 10 DGCDRN O=C([O-])C1CCC([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000739563855 574908198 /nfs/dbraw/zinc/90/81/98/574908198.db2.gz XXBSORYWUDFNDF-UHFFFAOYSA-N 0 0 316.445 3.410 20 10 DGCDRN CCOc1ccc(N(C)Cc2cc(C)c(C(=O)OC)o2)cc1 ZINC000739924763 574916293 /nfs/dbraw/zinc/91/62/93/574916293.db2.gz XNGLCCPHGVAGIE-UHFFFAOYSA-N 0 0 303.358 3.410 20 10 DGCDRN CC1(C)CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000741092165 574951064 /nfs/dbraw/zinc/95/10/64/574951064.db2.gz YMBZWSHKOQBQFP-UHFFFAOYSA-N 0 0 313.445 3.394 20 10 DGCDRN CCCCOC(=O)[C@@H](C)N(CC)c1ccc(OC)c(OC)c1 ZINC000741783735 574970296 /nfs/dbraw/zinc/97/02/96/574970296.db2.gz OBKOQLAGERGFAW-CYBMUJFWSA-N 0 0 309.406 3.262 20 10 DGCDRN CCCCOC(=O)[C@H](C)N(CC)c1ccc(OC)c(OC)c1 ZINC000741783736 574970431 /nfs/dbraw/zinc/97/04/31/574970431.db2.gz OBKOQLAGERGFAW-ZDUSSCGKSA-N 0 0 309.406 3.262 20 10 DGCDRN O=C(NCCCSc1nccs1)[C@@H]1Cc2ccccc21 ZINC000742073667 574980736 /nfs/dbraw/zinc/98/07/36/574980736.db2.gz JOMRFMDSKPHGHU-CYBMUJFWSA-N 0 0 304.440 3.081 20 10 DGCDRN CN1C(=O)C2(CCCC2)N[C@@H]1c1ccc(N2CCCCC2)cc1 ZINC000742439822 575000591 /nfs/dbraw/zinc/00/05/91/575000591.db2.gz NZSGERQZKFAZAK-KRWDZBQOSA-N 0 0 313.445 3.050 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C=C(C1CC1)C1CC1 ZINC000742952771 575025435 /nfs/dbraw/zinc/02/54/35/575025435.db2.gz RFZFDWSSHJYVBA-UHFFFAOYSA-N 0 0 312.413 3.224 20 10 DGCDRN CCOc1cccc(NC(=S)NCc2ncccc2C)c1 ZINC000742998933 575027778 /nfs/dbraw/zinc/02/77/78/575027778.db2.gz UUTKJLIRNYLWIN-UHFFFAOYSA-N 0 0 301.415 3.275 20 10 DGCDRN CN(CC(=O)NCc1c(O)ccc2c1CCCC2)c1ccccc1 ZINC000743719485 575062270 /nfs/dbraw/zinc/06/22/70/575062270.db2.gz CCODWFBVJAOMPP-UHFFFAOYSA-N 0 0 324.424 3.024 20 10 DGCDRN C[C@@H](CNC(=O)C1=CC(=O)CS1)Oc1ccc(Cl)cc1 ZINC000743759600 575062935 /nfs/dbraw/zinc/06/29/35/575062935.db2.gz IPJUKGVAXHCQFI-VIFPVBQESA-N 0 0 311.790 3.304 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc3ccccc3n2)c1 ZINC000728984380 575199161 /nfs/dbraw/zinc/19/91/61/575199161.db2.gz PAZWZOZOBWYLDD-LBPRGKRZSA-N 0 0 322.364 3.440 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(F)cc(F)c2)c1 ZINC000728981151 575198850 /nfs/dbraw/zinc/19/88/50/575198850.db2.gz UILCNKPEUYMZJN-SECBINFHSA-N 0 0 307.296 3.170 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(Cl)ccc2O)c1 ZINC000729277587 575231663 /nfs/dbraw/zinc/23/16/63/575231663.db2.gz BRNYGVHXHISBPE-VIFPVBQESA-N 0 0 321.760 3.251 20 10 DGCDRN CCC/C=C\C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000729359933 575238095 /nfs/dbraw/zinc/23/80/95/575238095.db2.gz MPDIGDGZFLQKGE-WAYWQWQTSA-N 0 0 302.418 3.137 20 10 DGCDRN CCN(CC[S@](=O)c1ccccc1)c1ccc(OC)cc1 ZINC000729473819 575251019 /nfs/dbraw/zinc/25/10/19/575251019.db2.gz UNVFIOHBODNIHF-NRFANRHFSA-N 0 0 303.427 3.329 20 10 DGCDRN CCN(CC(=O)N(C)C1CCCCC1)c1ccc(OC)cc1 ZINC000744392123 575339602 /nfs/dbraw/zinc/33/96/02/575339602.db2.gz UMVCGBFNXILSGP-UHFFFAOYSA-N 0 0 304.434 3.313 20 10 DGCDRN CCCc1noc(CN(CC)c2ccc(OC)c(OC)c2)n1 ZINC000744390679 575339616 /nfs/dbraw/zinc/33/96/16/575339616.db2.gz ILCDXQGSTZMDOD-UHFFFAOYSA-N 0 0 305.378 3.066 20 10 DGCDRN O=C(OCCC1CC1)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000744473254 575345383 /nfs/dbraw/zinc/34/53/83/575345383.db2.gz BNEWMQLLBVTOGN-UHFFFAOYSA-N 0 0 320.344 3.419 20 10 DGCDRN Cc1cc(C(=O)OCCOCC2CC2)c(C)n1-c1ccccn1 ZINC000744693042 575352246 /nfs/dbraw/zinc/35/22/46/575352246.db2.gz VMWFLQBHJLALAS-UHFFFAOYSA-N 0 0 314.385 3.073 20 10 DGCDRN CCOC(=O)COC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC000744884869 575362868 /nfs/dbraw/zinc/36/28/68/575362868.db2.gz NAXNIUBTPCGFFF-UHFFFAOYSA-N 0 0 315.369 3.122 20 10 DGCDRN COc1cccc(CNC(=O)N[C@@H]2CCCC[C@H]2C(C)C)c1O ZINC000745803667 575418406 /nfs/dbraw/zinc/41/84/06/575418406.db2.gz RKYHMCHABSBDDY-LSDHHAIUSA-N 0 0 320.433 3.415 20 10 DGCDRN Cc1noc(C(F)F)c1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000746104890 575432816 /nfs/dbraw/zinc/43/28/16/575432816.db2.gz HWGYCRXQHQTDLG-UHFFFAOYSA-N 0 0 323.343 3.259 20 10 DGCDRN Cc1c(C(=O)Nc2ccc(N)cc2)cnn1-c1cccc(C)c1 ZINC000746478684 575454669 /nfs/dbraw/zinc/45/46/69/575454669.db2.gz OGDWJBXVAOMMQG-UHFFFAOYSA-N 0 0 306.369 3.324 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1cccc([N+](=O)[O-])c1 ZINC000746492873 575455561 /nfs/dbraw/zinc/45/55/61/575455561.db2.gz NVFJFAZNNSEOKM-UHFFFAOYSA-N 0 0 313.357 3.060 20 10 DGCDRN CCOc1ccc(N(CC)CC(=O)N2CCCC[C@@H]2C)cc1 ZINC000746664379 575467710 /nfs/dbraw/zinc/46/77/10/575467710.db2.gz ZBMPEDQNONXXSY-HNNXBMFYSA-N 0 0 304.434 3.313 20 10 DGCDRN C[C@@H](CNC(=O)C1=CC(=O)CS1)c1nc2ccccc2o1 ZINC000746700925 575470715 /nfs/dbraw/zinc/47/07/15/575470715.db2.gz CSOUNOBVLVWVAF-VIFPVBQESA-N 0 0 302.355 3.128 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3ccnc(Cl)c3)ccc21 ZINC000746811847 575476056 /nfs/dbraw/zinc/47/60/56/575476056.db2.gz MLWPCFTYZHLAPT-UHFFFAOYSA-N 0 0 315.804 3.047 20 10 DGCDRN CC1=C(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CCC1 ZINC000746821053 575477224 /nfs/dbraw/zinc/47/72/24/575477224.db2.gz LYOJOOXVNKNYCD-OAHLLOKOSA-N 0 0 314.429 3.201 20 10 DGCDRN CC(C)[C@H]1CCCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000746978412 575487663 /nfs/dbraw/zinc/48/76/63/575487663.db2.gz MYHFEWFFIHOUOS-OAHLLOKOSA-N 0 0 307.413 3.222 20 10 DGCDRN Cc1noc([C@H](C)NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n1 ZINC000747322381 575511686 /nfs/dbraw/zinc/51/16/86/575511686.db2.gz BNBMXENCCNYQJU-ZDUSSCGKSA-N 0 0 324.384 3.277 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1cnn(C(C)C)c1 ZINC000747563020 575524788 /nfs/dbraw/zinc/52/47/88/575524788.db2.gz PCTGZAPCLMRLRD-UHFFFAOYSA-N 0 0 315.421 3.160 20 10 DGCDRN CCOc1ccc(N(CC)CC(=O)Nc2ccc(O)cc2)cc1 ZINC000747682128 575532659 /nfs/dbraw/zinc/53/26/59/575532659.db2.gz JFZKREOLKUKSIB-UHFFFAOYSA-N 0 0 314.385 3.256 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccccc2O)cc1-n1cccc1 ZINC000748350413 575582550 /nfs/dbraw/zinc/58/25/50/575582550.db2.gz QVZKBEWBOKVZQN-UHFFFAOYSA-N 0 0 306.365 3.421 20 10 DGCDRN Cc1ccc(C(=O)CCC(=O)NCc2ccccc2O)cc1C ZINC000748349602 575582634 /nfs/dbraw/zinc/58/26/34/575582634.db2.gz IAXLBJJTPWFVJO-UHFFFAOYSA-N 0 0 311.381 3.288 20 10 DGCDRN COc1ccccc1C[C@@H](C)N(C)C(=O)C1=CC(=O)CS1 ZINC000748362423 575582811 /nfs/dbraw/zinc/58/28/11/575582811.db2.gz FSLODMXZKVBSGO-LLVKDONJSA-N 0 0 305.399 3.166 20 10 DGCDRN COc1c(Cl)cccc1NC(=O)NCc1ccccc1O ZINC000748444598 575587153 /nfs/dbraw/zinc/58/71/53/575587153.db2.gz UHSUUEKSFBHMKI-UHFFFAOYSA-N 0 0 306.749 3.376 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@@H]1CCSc2ccccc21 ZINC000748458688 575588156 /nfs/dbraw/zinc/58/81/56/575588156.db2.gz AXGSPLWGRPSUSQ-CQSZACIVSA-N 0 0 314.410 3.429 20 10 DGCDRN CC[C@@H](O)CCCNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000748551096 575592812 /nfs/dbraw/zinc/59/28/12/575592812.db2.gz PLEBOBHMXOGZPU-GOSISDBHSA-N 0 0 314.429 3.375 20 10 DGCDRN CCC[C@H](C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000748604878 575597080 /nfs/dbraw/zinc/59/70/80/575597080.db2.gz OFQCVOGYTQGHNR-HNNXBMFYSA-N 0 0 304.434 3.170 20 10 DGCDRN CC[C@@H](CNC(=O)C1=CC(=O)CS1)Oc1ccccc1F ZINC000748859362 575612099 /nfs/dbraw/zinc/61/20/99/575612099.db2.gz KEEISKZNQNAWDI-NSHDSACASA-N 0 0 309.362 3.180 20 10 DGCDRN CCCCO[C@@H]1C[C@@H](NC(=O)NCc2ccccc2O)C1(C)C ZINC000748958728 575617460 /nfs/dbraw/zinc/61/74/60/575617460.db2.gz GRRSOMQLEYHWJQ-HZPDHXFCSA-N 0 0 320.433 3.175 20 10 DGCDRN Cc1cc(C(=O)NCc2cc[nH]n2)c(C)n1-c1cc(C)cc(C)c1 ZINC000749349280 575646548 /nfs/dbraw/zinc/64/65/48/575646548.db2.gz GRKUEPNROJMHPE-UHFFFAOYSA-N 0 0 322.412 3.364 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C(F)(F)C(F)F)cc1 ZINC000749351409 575646711 /nfs/dbraw/zinc/64/67/11/575646711.db2.gz WNDALLKXQNRKGB-UHFFFAOYSA-N 0 0 306.303 3.049 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C(F)(F)C(F)F)cc1F ZINC000749384989 575650207 /nfs/dbraw/zinc/65/02/07/575650207.db2.gz BARDMTROUVIBGR-UHFFFAOYSA-N 0 0 324.293 3.189 20 10 DGCDRN CCCCN1CC(=O)N[C@@H]1c1cc(-c2ccccc2)ccc1O ZINC000749699680 575673203 /nfs/dbraw/zinc/67/32/03/575673203.db2.gz HWFZPGSBBOJZFA-IBGZPJMESA-N 0 0 310.397 3.290 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1ccc(-n2ccnc2)nc1 ZINC000750036687 575699095 /nfs/dbraw/zinc/69/90/95/575699095.db2.gz MSUIZDFYSAVMDB-UHFFFAOYSA-N 0 0 320.396 3.229 20 10 DGCDRN CC[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@H](C)O1 ZINC000750045478 575699891 /nfs/dbraw/zinc/69/98/91/575699891.db2.gz RKIUDVUBDGTSPN-QMTHXVAHSA-N 0 0 311.809 3.248 20 10 DGCDRN CCC[C@H](O)CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000750097314 575703773 /nfs/dbraw/zinc/70/37/73/575703773.db2.gz USWYQCLPYIBUPQ-SFHVURJKSA-N 0 0 318.461 3.186 20 10 DGCDRN COCC[C@@H](C)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000750824302 575754156 /nfs/dbraw/zinc/75/41/56/575754156.db2.gz RUMWZFWEPVGMOU-CYBMUJFWSA-N 0 0 300.402 3.249 20 10 DGCDRN Cc1ncoc1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000751066222 575770044 /nfs/dbraw/zinc/77/00/44/575770044.db2.gz DTWWLTVLOKDYCV-UHFFFAOYSA-N 0 0 312.325 3.124 20 10 DGCDRN Cc1nc2[nH]ccc2c(NCc2c(O)ccc3c2CCCC3)n1 ZINC000751230786 575776663 /nfs/dbraw/zinc/77/66/63/575776663.db2.gz SEWJUNWDLDVPPR-UHFFFAOYSA-N 0 0 308.385 3.463 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)C1CC=CC1 ZINC000751307127 575779278 /nfs/dbraw/zinc/77/92/78/575779278.db2.gz FNBCTZKRKNYPCS-UHFFFAOYSA-N 0 0 304.353 3.301 20 10 DGCDRN O=C(CC[C@@H]1CCOC1)NCc1ccc(N2CCCCC2)cc1 ZINC000751362331 575781568 /nfs/dbraw/zinc/78/15/68/575781568.db2.gz SWGZDFGAMMUSLW-QGZVFWFLSA-N 0 0 316.445 3.110 20 10 DGCDRN CS/C=C\C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000751580385 575791818 /nfs/dbraw/zinc/79/18/18/575791818.db2.gz SHHBKGPUALKNFD-XFXZXTDPSA-N 0 0 304.459 3.416 20 10 DGCDRN CCC[C@@H](O)CC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000752088205 575822393 /nfs/dbraw/zinc/82/23/93/575822393.db2.gz VYFIAEZOINSBMB-OAHLLOKOSA-N 0 0 317.385 3.065 20 10 DGCDRN CCCCC[C@@H](C)NC(=O)CN(C)c1ccc(OC)cc1OC ZINC000752112155 575823602 /nfs/dbraw/zinc/82/36/02/575823602.db2.gz OMWFBTYYJZNAND-CQSZACIVSA-N 0 0 322.449 3.225 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCC1(C2CC2)CCC1 ZINC000752213813 575826746 /nfs/dbraw/zinc/82/67/46/575826746.db2.gz QCWRTWDGLFDNCY-UHFFFAOYSA-N 0 0 315.461 3.441 20 10 DGCDRN COCCC(C)(C)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000752449134 575837177 /nfs/dbraw/zinc/83/71/77/575837177.db2.gz QBHJPHGIEWKFTG-UHFFFAOYSA-N 0 0 315.417 3.034 20 10 DGCDRN CCc1csc(NC(=O)NCc2ccc(N(C)C)cc2C)n1 ZINC000743224351 575908600 /nfs/dbraw/zinc/90/86/00/575908600.db2.gz HJXICBVNEARGRL-UHFFFAOYSA-N 0 0 318.446 3.402 20 10 DGCDRN COc1ccc(N(CC(=O)N2CCC(C)CC2)C(C)C)cc1F ZINC000725816007 575919570 /nfs/dbraw/zinc/91/95/70/575919570.db2.gz WEDVKHMGLAWRAW-UHFFFAOYSA-N 0 0 322.424 3.308 20 10 DGCDRN C[C@@H](Cc1cnccn1)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000725849770 575931721 /nfs/dbraw/zinc/93/17/21/575931721.db2.gz XFZVDRHYNUJLQO-VIFPVBQESA-N 0 0 312.200 3.210 20 10 DGCDRN CCC1(C)CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000725857622 575934187 /nfs/dbraw/zinc/93/41/87/575934187.db2.gz IPNQRPDSXCFIHJ-UHFFFAOYSA-N 0 0 303.450 3.474 20 10 DGCDRN Cn1cc(/C=C/C(=O)N2CCCc3cccc(Cl)c32)cn1 ZINC000726367922 576019500 /nfs/dbraw/zinc/01/95/00/576019500.db2.gz KKKYJWMAZAXPLC-BQYQJAHWSA-N 0 0 301.777 3.066 20 10 DGCDRN CCC[C@@H](C)NC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000726609659 576033159 /nfs/dbraw/zinc/03/31/59/576033159.db2.gz AHXSMSREZCGFSG-CQSZACIVSA-N 0 0 319.449 3.152 20 10 DGCDRN CCOc1ccc(N(C)C[C@H](O)COc2ccccc2F)cc1 ZINC000740423123 576166116 /nfs/dbraw/zinc/16/61/16/576166116.db2.gz BWNKGBHWKCYHPD-HNNXBMFYSA-N 0 0 319.376 3.101 20 10 DGCDRN CN(C)c1ccc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc1 ZINC000916836790 620647079 /nfs/dbraw/zinc/64/70/79/620647079.db2.gz MXPIPXZXFYKRBF-OAHLLOKOSA-N 0 0 316.367 3.296 20 10 DGCDRN Nc1ccc(NC(=O)c2c(C(F)(F)F)nc3n2CCCC3)cc1 ZINC000852791139 620649131 /nfs/dbraw/zinc/64/91/31/620649131.db2.gz XVHFMBONQFNEME-UHFFFAOYSA-N 0 0 324.306 3.073 20 10 DGCDRN CN(C)c1ccc(CNc2nc(C3CCOCC3)ns2)cc1 ZINC000853093321 620667415 /nfs/dbraw/zinc/66/74/15/620667415.db2.gz CFCWFXVBYHJCGV-UHFFFAOYSA-N 0 0 318.446 3.110 20 10 DGCDRN CCOc1cc(NCc2ccc(N3CC=CC3)cc2)nc(C)n1 ZINC000853364372 620689611 /nfs/dbraw/zinc/68/96/11/620689611.db2.gz JCGOWJKKKAGWGI-UHFFFAOYSA-N 0 0 310.401 3.172 20 10 DGCDRN CCC(F)(F)CNCc1cc(Br)cc(OC)c1O ZINC000858259685 621169892 /nfs/dbraw/zinc/16/98/92/621169892.db2.gz ZCKAKMMKRDCMPS-UHFFFAOYSA-N 0 0 324.165 3.298 20 10 DGCDRN Cc1cc(C)c(O)c(CN2CCO[C@H](CC(F)(F)F)C2)c1 ZINC000853610581 620715492 /nfs/dbraw/zinc/71/54/92/620715492.db2.gz FDWOMMBQOVVFEH-CYBMUJFWSA-N 0 0 303.324 3.162 20 10 DGCDRN COc1cc(N(C)Cc2ccc(C)nc2)cc(OC)c1OC ZINC000154760300 620716312 /nfs/dbraw/zinc/71/63/12/620716312.db2.gz HYJAGAPODCKQEL-UHFFFAOYSA-N 0 0 302.374 3.052 20 10 DGCDRN Cc1cc(C(=O)OC[C@H]2CCOC2)c(C)n1-c1ccc(F)cc1 ZINC000918834677 620727231 /nfs/dbraw/zinc/72/72/31/620727231.db2.gz YNQKEJYHVCWTQZ-AWEZNQCLSA-N 0 0 317.360 3.427 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cc(Cl)ccc1O ZINC000111493932 620724928 /nfs/dbraw/zinc/72/49/28/620724928.db2.gz BMJMDUJTMNZSSA-KXFIGUGUSA-N 0 0 305.717 3.109 20 10 DGCDRN CCc1cnc(CN(C)Cc2ccc(OC)c(OC)c2O)s1 ZINC000892148618 617975652 /nfs/dbraw/zinc/97/56/52/617975652.db2.gz GYOVLWXYADVDOJ-UHFFFAOYSA-N 0 0 322.430 3.060 20 10 DGCDRN COc1ccc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000853759307 620734491 /nfs/dbraw/zinc/73/44/91/620734491.db2.gz RXGAHZXXNXWCSG-CQSZACIVSA-N 0 0 313.357 3.294 20 10 DGCDRN COc1ccc(N2CC[C@@H](Nc3cnc4ccccc4n3)C2)cc1 ZINC000853758602 620734544 /nfs/dbraw/zinc/73/45/44/620734544.db2.gz IDVSFWCUJXXSAJ-CQSZACIVSA-N 0 0 320.396 3.329 20 10 DGCDRN COc1ccc(N2CC[C@H](Nc3nc(C4CCC4)no3)C2)cc1 ZINC000853760684 620734973 /nfs/dbraw/zinc/73/49/73/620734973.db2.gz NNWSHZYGPMZSBC-ZDUSSCGKSA-N 0 0 314.389 3.037 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1ccns1 ZINC000889099642 617655453 /nfs/dbraw/zinc/65/54/53/617655453.db2.gz INCCJUGDIDVKDZ-LBPRGKRZSA-N 0 0 318.446 3.270 20 10 DGCDRN CS[C@@H]1CCC[C@H](NC(=O)NCc2c(O)cccc2F)C1 ZINC000919225002 620740957 /nfs/dbraw/zinc/74/09/57/620740957.db2.gz DGESIXOCSAUCJC-WDEREUQCSA-N 0 0 312.410 3.005 20 10 DGCDRN Cc1noc(C)c1C(C)(C)C(=O)NCc1cccc(Cl)c1O ZINC000890759756 617656572 /nfs/dbraw/zinc/65/65/72/617656572.db2.gz QJUSWMJSVQRARO-UHFFFAOYSA-N 0 0 322.792 3.244 20 10 DGCDRN CO[C@@H]1CCC[C@H](CC(=O)NCc2cccc(Cl)c2O)C1 ZINC000890759128 617656589 /nfs/dbraw/zinc/65/65/89/617656589.db2.gz DDNTWSTYTKHZMK-WCQYABFASA-N 0 0 311.809 3.257 20 10 DGCDRN CC(=O)[C@H](C)CCCCC(=O)NCc1cccc(Cl)c1O ZINC000890760509 617656967 /nfs/dbraw/zinc/65/69/67/617656967.db2.gz RPVPDZGEEFALNO-LLVKDONJSA-N 0 0 311.809 3.447 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000890761262 617657347 /nfs/dbraw/zinc/65/73/47/617657347.db2.gz OCLBNIKHQUUJCC-NUEKZKHPSA-N 0 0 313.784 3.248 20 10 DGCDRN O=C(C[C@H]1CCCC1(F)F)NCc1cccc(Cl)c1O ZINC000890762581 617657714 /nfs/dbraw/zinc/65/77/14/617657714.db2.gz GMKGGIBAIVTFRZ-SNVBAGLBSA-N 0 0 303.736 3.487 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@H]1CCOC2(CCCC2)C1 ZINC000890762782 617658461 /nfs/dbraw/zinc/65/84/61/617658461.db2.gz INDHVBIZMYQLEI-LBPRGKRZSA-N 0 0 323.820 3.401 20 10 DGCDRN CCO[C@@H](C(=O)NCc1cccc(Cl)c1O)C1CCCC1 ZINC000890763360 617659050 /nfs/dbraw/zinc/65/90/50/617659050.db2.gz UBVRMZFDGDNLNF-OAHLLOKOSA-N 0 0 311.809 3.257 20 10 DGCDRN O=C(NCc1cc(Br)ccc1O)C12CCC(CC1)C2 ZINC000804735399 617662146 /nfs/dbraw/zinc/66/21/46/617662146.db2.gz XHPYQBLRCRUCCA-UHFFFAOYSA-N 0 0 324.218 3.351 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CCC3(CCC3)CC2)cc1OC ZINC000804818821 617676921 /nfs/dbraw/zinc/67/69/21/617676921.db2.gz KALFDOGNRNPXGH-UHFFFAOYSA-N 0 0 306.362 3.383 20 10 DGCDRN Oc1ccc(Br)cc1CNc1ncc(Cl)cn1 ZINC000804828094 617680128 /nfs/dbraw/zinc/68/01/28/617680128.db2.gz ZVABIPQJLNXALT-UHFFFAOYSA-N 0 0 314.570 3.210 20 10 DGCDRN CC(=O)c1ccc(NCc2cc(Br)ccc2O)nc1 ZINC000804827431 617680276 /nfs/dbraw/zinc/68/02/76/617680276.db2.gz RVGQZUGBCCFQSS-UHFFFAOYSA-N 0 0 321.174 3.364 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCC[C@@H]2C[C@H]2C2CC2)c1 ZINC000924334011 617716140 /nfs/dbraw/zinc/71/61/40/617716140.db2.gz AGKGPTFKYPNVTA-KFNAQCHYSA-N 0 0 318.417 3.197 20 10 DGCDRN CC(C)(F)CCNC(=O)NCCCSc1nccs1 ZINC000853857489 620746398 /nfs/dbraw/zinc/74/63/98/620746398.db2.gz DQTOWUDXQSRCGP-UHFFFAOYSA-N 0 0 305.444 3.063 20 10 DGCDRN Cc1cc(Br)cc([C@H](C)NCc2ccon2)c1O ZINC000779028147 617770339 /nfs/dbraw/zinc/77/03/39/617770339.db2.gz ZGXFTMBJWDVSSM-VIFPVBQESA-N 0 0 311.179 3.302 20 10 DGCDRN OC1CCN(c2ccc(CNc3nccc4occc43)cc2)CC1 ZINC000853955532 620757021 /nfs/dbraw/zinc/75/70/21/620757021.db2.gz FTCHLKSXLFATSK-UHFFFAOYSA-N 0 0 323.396 3.401 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1(C2CC2)CC1 ZINC000891686810 617868776 /nfs/dbraw/zinc/86/87/76/617868776.db2.gz NGBYFLPIGYZZMW-CQSZACIVSA-N 0 0 300.446 3.298 20 10 DGCDRN NC(=O)c1c(F)cccc1NCc1ccc(N2CCCC2)cc1 ZINC000891795774 617900977 /nfs/dbraw/zinc/90/09/77/617900977.db2.gz CBYLODDJQNUSJH-UHFFFAOYSA-N 0 0 313.376 3.137 20 10 DGCDRN C[C@@H](NC(=O)N1C[C@@H]2CCCC[C@@H]21)c1ccc(N(C)C)cc1 ZINC000854004158 620761050 /nfs/dbraw/zinc/76/10/50/620761050.db2.gz OSEGTJRWWUDYQZ-KMFMINBZSA-N 0 0 301.434 3.398 20 10 DGCDRN C[C@@H](Cc1ccco1)NC(=O)NCc1cccc(Cl)c1O ZINC000891909745 617924842 /nfs/dbraw/zinc/92/48/42/617924842.db2.gz YOQDLUQCYCFPTD-JTQLQIEISA-N 0 0 308.765 3.069 20 10 DGCDRN CCn1c2ccc(C#N)cc2nc1-c1cc(O)c(O)c(OC)c1 ZINC000155098817 620766438 /nfs/dbraw/zinc/76/64/38/620766438.db2.gz KCKDFSKNMYFLFV-UHFFFAOYSA-N 0 0 309.325 3.015 20 10 DGCDRN COc1ccc(OC)c(NCc2ccc(OC)c(OC)c2O)c1 ZINC000892314974 618017832 /nfs/dbraw/zinc/01/78/32/618017832.db2.gz JXWWIPTXOXLCAQ-UHFFFAOYSA-N 0 0 319.357 3.039 20 10 DGCDRN CC[C@@H]1CCC[C@@H](NC(=O)NCc2cc(OC)ccc2O)C1 ZINC000155126437 620770970 /nfs/dbraw/zinc/77/09/70/620770970.db2.gz HUANMHULUQJYAR-TZMCWYRMSA-N 0 0 306.406 3.169 20 10 DGCDRN Cc1cc(O)c(CN[C@@H](C)c2nnc3ccccn32)c(Cl)c1 ZINC000840871404 618044317 /nfs/dbraw/zinc/04/43/17/618044317.db2.gz DZZINOOFJFQRSW-NSHDSACASA-N 0 0 316.792 3.248 20 10 DGCDRN CC(C)N(CC1CC1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000892485941 618079273 /nfs/dbraw/zinc/07/92/73/618079273.db2.gz PJTDPDDMXUEQBB-UHFFFAOYSA-N 0 0 307.413 3.222 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000840881663 618107398 /nfs/dbraw/zinc/10/73/98/618107398.db2.gz PHIJIAKMYLBVJQ-SUMWQHHRSA-N 0 0 321.367 3.487 20 10 DGCDRN CCCN(C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C(C)C ZINC000854297141 620792713 /nfs/dbraw/zinc/79/27/13/620792713.db2.gz NCNUUYPHJHKKSG-OAHLLOKOSA-N 0 0 319.449 3.104 20 10 DGCDRN CCOc1ccc(NC(=S)NNc2cccc(OC)c2)cc1 ZINC000018167659 618309988 /nfs/dbraw/zinc/30/99/88/618309988.db2.gz UWNVQRYBMQOXRG-UHFFFAOYSA-N 0 0 317.414 3.407 20 10 DGCDRN C[C@@H]1Cc2cc(C(=O)N(C)Cc3ccc(N(C)C)cc3)ccc2O1 ZINC000854324921 620795258 /nfs/dbraw/zinc/79/52/58/620795258.db2.gz SSJIESJVVUTKLH-CQSZACIVSA-N 0 0 324.424 3.348 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc3c(c2)CCOC3)cc1 ZINC000854323650 620795440 /nfs/dbraw/zinc/79/54/40/620795440.db2.gz DDQKAGDPYBCHOA-UHFFFAOYSA-N 0 0 324.424 3.098 20 10 DGCDRN COc1ccc(N(C)Cc2cnc3onc(C)c3c2)cc1F ZINC000894429537 618324678 /nfs/dbraw/zinc/32/46/78/618324678.db2.gz INDJCSVZJNESGL-UHFFFAOYSA-N 0 0 301.321 3.315 20 10 DGCDRN Cc1csc([C@H](C)C(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000854325142 620795680 /nfs/dbraw/zinc/79/56/80/620795680.db2.gz ZNHQBLBGRYRHMS-ZDUSSCGKSA-N 0 0 317.458 3.280 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000894438720 618333336 /nfs/dbraw/zinc/33/33/36/618333336.db2.gz TWMLBDXVCKYSOZ-CYBMUJFWSA-N 0 0 304.340 3.130 20 10 DGCDRN COc1ccc(CNc2ccnn2[C@@H](C)C2CC2)c(O)c1OC ZINC000892872732 618336626 /nfs/dbraw/zinc/33/66/26/618336626.db2.gz GDDAHETVZPNEQI-NSHDSACASA-N 0 0 317.389 3.189 20 10 DGCDRN COc1ccc(N(C)Cc2cnc3onc(C)c3c2)cc1OC ZINC000894461900 618341603 /nfs/dbraw/zinc/34/16/03/618341603.db2.gz LOTPDNDUCCPQQG-UHFFFAOYSA-N 0 0 313.357 3.185 20 10 DGCDRN COC(=O)c1cncc(Sc2ncc(C(C)(C)C)s2)n1 ZINC000892918459 618351357 /nfs/dbraw/zinc/35/13/57/618351357.db2.gz WTLFDGJGFGADLH-UHFFFAOYSA-N 0 0 309.416 3.168 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Cc1cnccc1C ZINC000854374089 620798713 /nfs/dbraw/zinc/79/87/13/620798713.db2.gz PDHJOCYUQILECR-UHFFFAOYSA-N 0 0 312.413 3.467 20 10 DGCDRN Cc1noc(C)c1[C@@H](C)NC(=O)NCc1cccc(Cl)c1O ZINC000892972361 618373433 /nfs/dbraw/zinc/37/34/33/618373433.db2.gz XGSWMASJHGQISR-MRVPVSSYSA-N 0 0 323.780 3.211 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)CCCC(C)=O)cc1 ZINC000920436368 620803362 /nfs/dbraw/zinc/80/33/62/620803362.db2.gz ICBJNXLWSRTOBM-UHFFFAOYSA-N 0 0 304.434 3.251 20 10 DGCDRN CN(C)c1ccc(CN(Cc2c[nH]cn2)Cc2ccco2)cc1 ZINC000894764072 618452700 /nfs/dbraw/zinc/45/27/00/618452700.db2.gz RYKVBJSWSVIZJW-UHFFFAOYSA-N 0 0 310.401 3.271 20 10 DGCDRN Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894781296 618455995 /nfs/dbraw/zinc/45/59/95/618455995.db2.gz FWIGUNZCQVZKLU-CQSZACIVSA-N 0 0 307.344 3.347 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCO[C@H]1CCCCO1 ZINC000894800300 618460202 /nfs/dbraw/zinc/46/02/02/618460202.db2.gz SVHTXPQSIAIWQM-ZDUSSCGKSA-N 0 0 320.216 3.332 20 10 DGCDRN CCc1cccc(CN(C)[C@@H](c2nc[nH]n2)c2ccccc2)c1O ZINC000894960601 618502719 /nfs/dbraw/zinc/50/27/19/618502719.db2.gz AQODOUWBXCRPLD-QGZVFWFLSA-N 0 0 322.412 3.294 20 10 DGCDRN C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000775985866 618520032 /nfs/dbraw/zinc/52/00/32/618520032.db2.gz PJMCRFVZSWVEIK-NXEZZACHSA-N 0 0 303.233 3.223 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)NC[C@@H]1CCCC1(F)F ZINC000895179457 618568227 /nfs/dbraw/zinc/56/82/27/618568227.db2.gz QPQPAIWNSPKCMG-JTQLQIEISA-N 0 0 318.751 3.280 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000895280741 618586235 /nfs/dbraw/zinc/58/62/35/618586235.db2.gz ZSWVOFIGTMJENT-MLGOLLRUSA-N 0 0 311.372 3.452 20 10 DGCDRN CCN(C(=O)C1=CC(=O)CS1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000854564441 620818369 /nfs/dbraw/zinc/81/83/69/620818369.db2.gz YMTGQOUMTHNNAO-XHDPSFHLSA-N 0 0 305.399 3.038 20 10 DGCDRN COc1cc(C)cc(CN2CCOC[C@H]2c2ccc(C)o2)c1O ZINC000894033013 618696017 /nfs/dbraw/zinc/69/60/17/618696017.db2.gz WKCYLXXQFHAASK-HNNXBMFYSA-N 0 0 317.385 3.184 20 10 DGCDRN CC(C)OCCCCNC(=O)NCc1cccc(Cl)c1O ZINC000894126437 618716009 /nfs/dbraw/zinc/71/60/09/618716009.db2.gz QHCFJMQSHGKKCD-UHFFFAOYSA-N 0 0 314.813 3.050 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNc3nccnc3Cl)C2)cc1 ZINC000894269912 618747453 /nfs/dbraw/zinc/74/74/53/618747453.db2.gz XGLFYCJUMBHDSP-LBPRGKRZSA-N 0 0 318.808 3.077 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1C[C@H]2CCC[C@@H]21)c1ccc(N(C)C)cc1 ZINC000894287579 618752878 /nfs/dbraw/zinc/75/28/78/618752878.db2.gz WFASNTNSBWXCRM-JSQNDZKTSA-N 0 0 301.434 3.301 20 10 DGCDRN COc1cc(C)cc(CNc2ccc(N3CCCC3)nc2)c1O ZINC000894360393 618772012 /nfs/dbraw/zinc/77/20/12/618772012.db2.gz YJCZPDRPWFLMOI-UHFFFAOYSA-N 0 0 313.401 3.317 20 10 DGCDRN Cc1cc(CNC(=O)NCc2cccc(Cl)c2O)cc(C)n1 ZINC000895411260 618780554 /nfs/dbraw/zinc/78/05/54/618780554.db2.gz MRUCYBBMCVRBOE-UHFFFAOYSA-N 0 0 319.792 3.057 20 10 DGCDRN C[N@H+](Cc1ccns1)Cc1cccc(Br)c1[O-] ZINC000895454140 618785720 /nfs/dbraw/zinc/78/57/20/618785720.db2.gz VGZYVKPPJMKANC-UHFFFAOYSA-N 0 0 313.220 3.243 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCOC3(CCC3)C2)cc1 ZINC000895485518 618792230 /nfs/dbraw/zinc/79/22/30/618792230.db2.gz WFVXVYIHEUMEKE-MRXNPFEDSA-N 0 0 316.445 3.060 20 10 DGCDRN CCCCOCCCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895518057 618794474 /nfs/dbraw/zinc/79/44/74/618794474.db2.gz GFMPAYSAIZSYIR-UHFFFAOYSA-N 0 0 323.414 3.249 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1CC(CC2CCOCC2)C1 ZINC000895616798 618807456 /nfs/dbraw/zinc/80/74/56/618807456.db2.gz YYQPKPVXCAWOLQ-UHFFFAOYSA-N 0 0 313.800 3.433 20 10 DGCDRN COc1cccc(CN2CCc3cc(F)c(F)cc3C2)c1O ZINC000895655754 618812691 /nfs/dbraw/zinc/81/26/91/618812691.db2.gz KQCKAPVFVVQZKQ-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN COc1ccc(NCc2ccc(OC)c(OC)c2O)c(F)c1 ZINC000895696203 618820285 /nfs/dbraw/zinc/82/02/85/618820285.db2.gz HIFOCVOPMQIEPA-UHFFFAOYSA-N 0 0 307.321 3.169 20 10 DGCDRN CC(C)(C)OCCCNC(=O)NCc1cccc(Cl)c1O ZINC000895768127 618828960 /nfs/dbraw/zinc/82/89/60/618828960.db2.gz WZGCKALIWIAADI-UHFFFAOYSA-N 0 0 314.813 3.050 20 10 DGCDRN CCOCc1nc(Cl)cc(NCc2c(O)cccc2F)n1 ZINC000895833068 618839200 /nfs/dbraw/zinc/83/92/00/618839200.db2.gz SLUMMJBFGXHFIC-UHFFFAOYSA-N 0 0 311.744 3.123 20 10 DGCDRN CC(C)(C)OC(=O)c1cccc(NCc2c(O)cccc2F)n1 ZINC000895832681 618839367 /nfs/dbraw/zinc/83/93/67/618839367.db2.gz LTKUUVLUUIWCKC-UHFFFAOYSA-N 0 0 318.348 3.494 20 10 DGCDRN COc1ccc(CN[C@@H](CF)c2ccc(F)cc2)c(O)c1OC ZINC000895854787 618842543 /nfs/dbraw/zinc/84/25/43/618842543.db2.gz XEWSZZPHJVFPFM-AWEZNQCLSA-N 0 0 323.339 3.349 20 10 DGCDRN COc1cccc(CNC(=O)CCCCc2ccccc2)c1O ZINC000896117969 618874493 /nfs/dbraw/zinc/87/44/93/618874493.db2.gz VAXZLNFHCNDACD-UHFFFAOYSA-N 0 0 313.397 3.430 20 10 DGCDRN CCNc1ccc(C)cc1C(=O)NCc1cccc(OC)c1O ZINC000896118488 618874556 /nfs/dbraw/zinc/87/45/56/618874556.db2.gz XXADQXRFWDUBMW-UHFFFAOYSA-N 0 0 314.385 3.071 20 10 DGCDRN COc1cc(C)cc(CN[C@H]2c3ccccc3OC[C@@H]2F)c1O ZINC000896424028 618911593 /nfs/dbraw/zinc/91/15/93/618911593.db2.gz MQNWQWHLBVMFBD-YOEHRIQHSA-N 0 0 317.360 3.271 20 10 DGCDRN Cc1nc(CC2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)no1 ZINC000896550895 618927457 /nfs/dbraw/zinc/92/74/57/618927457.db2.gz GSBVXRMMSKUUTQ-UHFFFAOYSA-N 0 0 321.808 3.192 20 10 DGCDRN C[C@]1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCCS1 ZINC000896964191 618994660 /nfs/dbraw/zinc/99/46/60/618994660.db2.gz QFOKOLBUBRRXAJ-OAHLLOKOSA-N 0 0 323.439 3.328 20 10 DGCDRN O=C(N[C@H]1CCC(F)(F)C1)c1cc2cc(O)c(O)cc2s1 ZINC000897006950 619000198 /nfs/dbraw/zinc/00/01/98/619000198.db2.gz IQLPTNOJBQOSTI-QMMMGPOBSA-N 0 0 313.325 3.230 20 10 DGCDRN CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3cccc(Cl)c3[O-])C2)n1 ZINC000897046451 619006312 /nfs/dbraw/zinc/00/63/12/619006312.db2.gz ZEZLPBXOFIHSKW-ZYHUDNBSSA-N 0 0 321.808 3.417 20 10 DGCDRN O=C(CCCCc1ccccc1)NCCc1ccc(O)c(O)c1 ZINC000897067443 619010603 /nfs/dbraw/zinc/01/06/03/619010603.db2.gz IHBWAMZMFMYYEA-UHFFFAOYSA-N 0 0 313.397 3.170 20 10 DGCDRN CC[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)CC(F)(F)F ZINC000840514875 619037143 /nfs/dbraw/zinc/03/71/43/619037143.db2.gz LXMAOXWXEYMOTI-OAQKJQOQSA-N 0 0 317.307 3.206 20 10 DGCDRN O=C(C[C@@]12CCCC[C@@H]1C2(F)F)NCc1c(O)cccc1F ZINC000928710110 619059618 /nfs/dbraw/zinc/05/96/18/619059618.db2.gz GWHPHDAMGWHXEY-ZFWWWQNUSA-N 0 0 313.319 3.363 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000928708723 619059725 /nfs/dbraw/zinc/05/97/25/619059725.db2.gz RQXOXUYFZCLQBN-BDAKNGLRSA-N 0 0 305.271 3.126 20 10 DGCDRN Cc1noc(C(C)C)c1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000928786072 619069009 /nfs/dbraw/zinc/06/90/09/619069009.db2.gz OSXVWPHJSGQMLT-FNORWQNLSA-N 0 0 302.330 3.170 20 10 DGCDRN C[C@@]1([NH2+]Cc2ccc(F)c(F)c2[O-])CCOc2ccccc21 ZINC000897386388 619101105 /nfs/dbraw/zinc/10/11/05/619101105.db2.gz VWQVUWDGFPKRMZ-QGZVFWFLSA-N 0 0 305.324 3.458 20 10 DGCDRN Oc1c(Cl)cccc1CNc1ncnc2c1ncn2C1CC1 ZINC000897391903 619102413 /nfs/dbraw/zinc/10/24/13/619102413.db2.gz DYXJFIWURAIMSK-UHFFFAOYSA-N 0 0 315.764 3.132 20 10 DGCDRN C[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])c1ccccc1[N+](=O)[O-] ZINC000897461008 619130326 /nfs/dbraw/zinc/13/03/26/619130326.db2.gz WXXHEUCYWPKJRX-SNVBAGLBSA-N 0 0 322.311 3.472 20 10 DGCDRN C[C@@H]1CSCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897558805 619159425 /nfs/dbraw/zinc/15/94/25/619159425.db2.gz CFYBZTHTXZZOLS-VIFPVBQESA-N 0 0 323.439 3.138 20 10 DGCDRN Cc1noc(C[C@@H]2CCC[N@H+](Cc3cccc(Cl)c3[O-])C2)n1 ZINC000897579266 619162412 /nfs/dbraw/zinc/16/24/12/619162412.db2.gz SFPKFFCRUSPBFB-LBPRGKRZSA-N 0 0 321.808 3.192 20 10 DGCDRN COc1ccc(CNc2ccc(C3CC3)cn2)c(O)c1OC ZINC000897715192 619175880 /nfs/dbraw/zinc/17/58/80/619175880.db2.gz JSDQLSFLVVDFJY-UHFFFAOYSA-N 0 0 300.358 3.294 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@H]2CCCC3(CC3)C2)ccc1[N+](=O)[O-] ZINC000897772256 619178811 /nfs/dbraw/zinc/17/88/11/619178811.db2.gz PSPXRRMAWYLEDN-LBPRGKRZSA-N 0 0 306.362 3.121 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@@H]2CCCC3(CC3)C2)ccc1[N+](=O)[O-] ZINC000897772255 619178900 /nfs/dbraw/zinc/17/89/00/619178900.db2.gz PSPXRRMAWYLEDN-GFCCVEGCSA-N 0 0 306.362 3.121 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000898219574 619222793 /nfs/dbraw/zinc/22/27/93/619222793.db2.gz ZUGWCJWEKWSLPT-MWLCHTKSSA-N 0 0 309.715 3.245 20 10 DGCDRN C[C@H](NC(=O)NC1CC2(C1)COC(C)(C)C2)c1ccccc1O ZINC000898403498 619270728 /nfs/dbraw/zinc/27/07/28/619270728.db2.gz GFXHHNYXLXPOCW-ZVLZOBCMSA-N 0 0 318.417 3.100 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CC2(CCC2)[C@H]1c1cccnc1 ZINC000898410823 619271595 /nfs/dbraw/zinc/27/15/95/619271595.db2.gz QLTOQQAHBXCFIX-CQSZACIVSA-N 0 0 300.383 3.216 20 10 DGCDRN CC(C)(C)OCCCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898725503 619291957 /nfs/dbraw/zinc/29/19/57/619291957.db2.gz UVYZREOEJSCORY-UHFFFAOYSA-N 0 0 323.414 3.248 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C\c1cnn(C2CCC2)c1 ZINC000899341593 619327206 /nfs/dbraw/zinc/32/72/06/619327206.db2.gz DWQMFSWHCMXIJW-ZROIWOOFSA-N 0 0 316.430 3.064 20 10 DGCDRN CCc1onc(C)c1/C=C1\SC(N2CCCCC2)=NC1=O ZINC000899341576 619327268 /nfs/dbraw/zinc/32/72/68/619327268.db2.gz DEOKFFPIXYOWJB-LCYFTJDESA-N 0 0 305.403 3.002 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C/c1cnn(C2CCC2)c1 ZINC000899341592 619327380 /nfs/dbraw/zinc/32/73/80/619327380.db2.gz DWQMFSWHCMXIJW-NTEUORMPSA-N 0 0 316.430 3.064 20 10 DGCDRN CCOc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)o1 ZINC000899343084 619327661 /nfs/dbraw/zinc/32/76/61/619327661.db2.gz NQLSUBYJSRYDDQ-BENRWUELSA-N 0 0 306.387 3.135 20 10 DGCDRN Cc1ccc(C(=O)Nc2nn(C(C)C)cc2Cl)c(O)c1O ZINC000924768949 619385638 /nfs/dbraw/zinc/38/56/38/619385638.db2.gz ITKWCTSLHOFHTE-UHFFFAOYSA-N 0 0 309.753 3.089 20 10 DGCDRN Cc1nc(-c2cn(Cc3ccc(N(C)C)c(C)c3)nn2)cs1 ZINC000881378094 625357130 /nfs/dbraw/zinc/35/71/30/625357130.db2.gz FESRFRAMASYNKV-UHFFFAOYSA-N 0 0 313.430 3.133 20 10 DGCDRN Oc1c(Br)cccc1CNc1cnc(C2CC2)nc1 ZINC000902090114 619588390 /nfs/dbraw/zinc/58/83/90/619588390.db2.gz KDOLRKFQDVMDAP-UHFFFAOYSA-N 0 0 320.190 3.434 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1N)c1ccc(F)cc1[O-] ZINC000902433322 619635283 /nfs/dbraw/zinc/63/52/83/619635283.db2.gz JGXNXFRGSTYCEN-LZLYRXPVSA-N 0 0 300.377 3.197 20 10 DGCDRN O=C(NCc1c(O)cccc1F)Nc1nc(C2CC2)cs1 ZINC000902944578 619693146 /nfs/dbraw/zinc/69/31/46/619693146.db2.gz JONWEACXBMXEKH-UHFFFAOYSA-N 0 0 307.350 3.187 20 10 DGCDRN COc1ccc2c(c1)CC[C@H](C(=O)N1Cc3cccc(O)c3C1)C2 ZINC000881429425 625370797 /nfs/dbraw/zinc/37/07/97/625370797.db2.gz ZGCBLGWSLMJEDD-HNNXBMFYSA-N 0 0 323.392 3.048 20 10 DGCDRN CC[C@H]([NH2+]Cc1nc(CN(C)C)cs1)c1ccc(F)cc1[O-] ZINC000903221369 619741424 /nfs/dbraw/zinc/74/14/24/619741424.db2.gz WAGBJOFBUVSSAC-AWEZNQCLSA-N 0 0 323.437 3.290 20 10 DGCDRN C[C@H]([NH2+][C@@H](CO)CCc1ccccc1)c1c([O-])cccc1F ZINC000903292676 619751949 /nfs/dbraw/zinc/75/19/49/619751949.db2.gz KCSZSICFMCAQDJ-DZGCQCFKSA-N 0 0 303.377 3.176 20 10 DGCDRN COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000903450389 619778515 /nfs/dbraw/zinc/77/85/15/619778515.db2.gz GYSNPPHVMBWSHU-FOGDFJRCSA-N 0 0 313.344 3.053 20 10 DGCDRN Cc1cccc(C)c1C[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000904439603 619922820 /nfs/dbraw/zinc/92/28/20/619922820.db2.gz OQCPTKFJBRQZPJ-GOSISDBHSA-N 0 0 313.397 3.067 20 10 DGCDRN O=C1/C(=C\c2nccc3c2CCCC3)SC(=S)N1C1CC1 ZINC000905000999 619964244 /nfs/dbraw/zinc/96/42/44/619964244.db2.gz CCLHIANHLNPVER-NTEUORMPSA-N 0 0 316.451 3.324 20 10 DGCDRN CCSc1ccccc1CC(=O)NCCc1ccc(N)cc1 ZINC000911783019 620346136 /nfs/dbraw/zinc/34/61/36/620346136.db2.gz OJPITTCZKGVMNE-UHFFFAOYSA-N 0 0 314.454 3.282 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCOC2(CCCC2)C1 ZINC000911899293 620349982 /nfs/dbraw/zinc/34/99/82/620349982.db2.gz VOQMTPBTHJIKFC-GFCCVEGCSA-N 0 0 323.820 3.401 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000912101236 620364903 /nfs/dbraw/zinc/36/49/03/620364903.db2.gz OSAMBYJWABVDRB-HOCLYGCPSA-N 0 0 317.410 3.182 20 10 DGCDRN CC(=O)Nc1cccc(NC(=S)NNc2ccc(F)cc2)c1 ZINC000913141298 620425547 /nfs/dbraw/zinc/42/55/47/620425547.db2.gz MOTBYBUWQZPGGJ-UHFFFAOYSA-N 0 0 318.377 3.098 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000914433244 620533962 /nfs/dbraw/zinc/53/39/62/620533962.db2.gz MKPJQNZZJUSCJD-WCQYABFASA-N 0 0 302.201 3.214 20 10 DGCDRN CCO[C@H](C)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000915280024 620578349 /nfs/dbraw/zinc/57/83/49/620578349.db2.gz XMSIADHXHHVXOW-MRXNPFEDSA-N 0 0 314.429 3.178 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2nncs2)cc1 ZINC000915300569 620579446 /nfs/dbraw/zinc/57/94/46/620579446.db2.gz OFYRUYDASXIPJU-UHFFFAOYSA-N 0 0 319.434 3.048 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)COC2CCCC2)C2CC2)cc1 ZINC000916046567 620615577 /nfs/dbraw/zinc/61/55/77/620615577.db2.gz SGHWSEFGGSOFRZ-UHFFFAOYSA-N 0 0 316.445 3.203 20 10 DGCDRN CCO[C@@H]1C[C@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000916114587 620618740 /nfs/dbraw/zinc/61/87/40/620618740.db2.gz GUQQSLRRMQKWFK-QZTJIDSGSA-N 0 0 316.445 3.060 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccccc2C(C)=O)c1 ZINC000153938705 620624711 /nfs/dbraw/zinc/62/47/11/620624711.db2.gz OXUGHDZLLNAIAP-LLVKDONJSA-N 0 0 313.353 3.094 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)OCC1CC1 ZINC000920818161 620824380 /nfs/dbraw/zinc/82/43/80/620824380.db2.gz BJPGMRRICLVPOW-HNNXBMFYSA-N 0 0 318.461 3.305 20 10 DGCDRN C[C@H](NC(=O)C=C1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000920881555 620826603 /nfs/dbraw/zinc/82/66/03/620826603.db2.gz FKRFETKDPXFWFX-HNNXBMFYSA-N 0 0 314.429 3.201 20 10 DGCDRN COc1ccc(-c2nc(Sc3nccs3)n[nH]2)c(OC)c1 ZINC000921059425 620835664 /nfs/dbraw/zinc/83/56/64/620835664.db2.gz XWVRPUWCFHAGSD-UHFFFAOYSA-N 0 0 320.399 3.097 20 10 DGCDRN COc1ccc(N(C)Cc2cn3cc(C)ccc3n2)cc1OC ZINC000921233963 620844977 /nfs/dbraw/zinc/84/49/77/620844977.db2.gz FULNWBVDDGNUFS-UHFFFAOYSA-N 0 0 311.385 3.296 20 10 DGCDRN Cc1cc(C(=O)N2CCC23COC3)c(C)n1-c1cccc(C)c1 ZINC000854837582 620845383 /nfs/dbraw/zinc/84/53/83/620845383.db2.gz LQTLDUVSAWETFO-UHFFFAOYSA-N 0 0 310.397 3.017 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)c2ccc(F)s2)cc1 ZINC000855020065 620863394 /nfs/dbraw/zinc/86/33/94/620863394.db2.gz FMEAGCBKXMOOPT-UHFFFAOYSA-N 0 0 322.405 3.104 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCC[C@H]3C)C2)cc1 ZINC000855225057 620881703 /nfs/dbraw/zinc/88/17/03/620881703.db2.gz NMEUQWZOLGGRKL-VKJFTORMSA-N 0 0 316.445 3.216 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCC3(C)C)C2)cc1 ZINC000855223613 620881913 /nfs/dbraw/zinc/88/19/13/620881913.db2.gz BKVXYFIYBNXOAA-WMLDXEAASA-N 0 0 316.445 3.216 20 10 DGCDRN CCC/C(C)=C/C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855228903 620882391 /nfs/dbraw/zinc/88/23/91/620882391.db2.gz FVHAEMWPLWZTGF-ZQHYZAEZSA-N 0 0 302.418 3.137 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)C[C@H](C)CC(C)C)C2)cc1 ZINC000855231609 620882485 /nfs/dbraw/zinc/88/24/85/620882485.db2.gz WXPMBQBNCJDKGN-HZPDHXFCSA-N 0 0 318.461 3.462 20 10 DGCDRN CCC[C@@H](C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C(C)C ZINC000855234012 620882893 /nfs/dbraw/zinc/88/28/93/620882893.db2.gz QOFJGKWTJOOYQX-CRAIPNDOSA-N 0 0 318.461 3.462 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)C[C@@H]3CC[C@H](C)C3)C2)cc1 ZINC000855233999 620882915 /nfs/dbraw/zinc/88/29/15/620882915.db2.gz QKBXQBKMPHHQGH-XHSDSOJGSA-N 0 0 316.445 3.216 20 10 DGCDRN Cc1ccc(C(=O)Nc2nc(C3CCC3)cs2)c(O)c1O ZINC000769148994 620884417 /nfs/dbraw/zinc/88/44/17/620884417.db2.gz ADAJJJKNBVZBNG-UHFFFAOYSA-N 0 0 304.371 3.383 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CC12CC2)c1cc(Br)c(F)cc1[O-] ZINC000818357166 620899758 /nfs/dbraw/zinc/89/97/58/620899758.db2.gz VUVFASOGPJOLQD-KRTXAFLBSA-N 0 0 300.171 3.497 20 10 DGCDRN CC[C@@H](NC(=O)NCc1c(O)cccc1F)c1c(C)noc1C ZINC000921672078 620930798 /nfs/dbraw/zinc/93/07/98/620930798.db2.gz ROWVGVYLEWDSCP-CYBMUJFWSA-N 0 0 321.352 3.087 20 10 DGCDRN CCc1cnccc1[C@H](C)NC(=O)NCc1c(O)cccc1F ZINC000921789696 620950068 /nfs/dbraw/zinc/95/00/68/620950068.db2.gz XMDCNZWNRFXWRY-NSHDSACASA-N 0 0 317.364 3.049 20 10 DGCDRN C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C1CCC(F)CC1 ZINC000856080569 620959107 /nfs/dbraw/zinc/95/91/07/620959107.db2.gz LBJSCIAIDSSKCH-PMJSSZOJSA-N 0 0 307.365 3.144 20 10 DGCDRN CC(C)CCCC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856214866 620972596 /nfs/dbraw/zinc/97/25/96/620972596.db2.gz FADORJUVTKAOPR-UHFFFAOYSA-N 0 0 318.461 3.090 20 10 DGCDRN Cc1ccc(C(=O)N(C)C[C@H]2CCc3ccccc32)c(O)c1O ZINC000856306358 620982931 /nfs/dbraw/zinc/98/29/31/620982931.db2.gz YUNZXQCTPGELBK-CQSZACIVSA-N 0 0 311.381 3.208 20 10 DGCDRN CC[C@H](C)c1nnc([C@@H](C)NCc2ccc3c(c2)CCCO3)[nH]1 ZINC000922053345 620984236 /nfs/dbraw/zinc/98/42/36/620984236.db2.gz GJXNAAJGBVLXCE-QWHCGFSZSA-N 0 0 314.433 3.494 20 10 DGCDRN CC(C)(CNC(=O)/C=C\c1ccc(O)c(O)c1)CC(F)(F)F ZINC000856518898 621002861 /nfs/dbraw/zinc/00/28/61/621002861.db2.gz CWPLVOUUVFRVGJ-XQRVVYSFSA-N 0 0 317.307 3.206 20 10 DGCDRN COc1ccc(O)c(CNC(=O)CC(C)(C)c2ccccc2)c1 ZINC000114542948 621009286 /nfs/dbraw/zinc/00/92/86/621009286.db2.gz FMYBHVAMTNQYCL-UHFFFAOYSA-N 0 0 313.397 3.385 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NC[C@H]2CCC[C@@H](C)C2)c1 ZINC000114591423 621016407 /nfs/dbraw/zinc/01/64/07/621016407.db2.gz DWILBUURJXOVIT-OLZOCXBDSA-N 0 0 306.406 3.026 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@@H](C)c2ccc(C)cc2)c1 ZINC000114590089 621016732 /nfs/dbraw/zinc/01/67/32/621016732.db2.gz IMCSROZFSRGGHZ-ZDUSSCGKSA-N 0 0 314.385 3.270 20 10 DGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]CC[C@@H]2CC2(F)F)c1[O-] ZINC000856802832 621023734 /nfs/dbraw/zinc/02/37/34/621023734.db2.gz YZIUZSLHGLGWKT-MRVPVSSYSA-N 0 0 306.696 3.089 20 10 DGCDRN Cc1ccc(C(=O)N2C[C@@H]3CC[C@H]2c2ccccc23)c(O)c1O ZINC000922540511 621053528 /nfs/dbraw/zinc/05/35/28/621053528.db2.gz LFXPEJFEYPCQKA-LRDDRELGSA-N 0 0 309.365 3.481 20 10 DGCDRN C[C@@H](O)CCCN1CCCc2cc(OC(F)(F)F)ccc21 ZINC000789335924 625461244 /nfs/dbraw/zinc/46/12/44/625461244.db2.gz KKVDCZDNGZEKME-LLVKDONJSA-N 0 0 303.324 3.499 20 10 DGCDRN CCOc1cncc(/C=C2/c3cccc4c3N(CCC4)C2=O)c1 ZINC000857202476 621067877 /nfs/dbraw/zinc/06/78/77/621067877.db2.gz OBFHNHUMMCJXAT-YVLHZVERSA-N 0 0 306.365 3.314 20 10 DGCDRN COCc1ccccc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000115280611 621094669 /nfs/dbraw/zinc/09/46/69/621094669.db2.gz UCGPCQDGGAKVBT-UHFFFAOYSA-N 0 0 312.413 3.137 20 10 DGCDRN CCN(CC(=O)NCc1cc(Cl)ccc1O)c1ccccc1 ZINC000857547558 621094822 /nfs/dbraw/zinc/09/48/22/621094822.db2.gz JYYXCVACKRXNMV-UHFFFAOYSA-N 0 0 318.804 3.188 20 10 DGCDRN O=C(Cc1cc(F)ccc1F)NCc1cc(Cl)ccc1O ZINC000857547894 621095267 /nfs/dbraw/zinc/09/52/67/621095267.db2.gz ZDTYWWXAYVGYST-UHFFFAOYSA-N 0 0 311.715 3.183 20 10 DGCDRN CCN(C[C@H](O)C1CCCCC1)c1ccc(OC)c(OC)c1 ZINC000789340691 625463579 /nfs/dbraw/zinc/46/35/79/625463579.db2.gz CJPPMYFGFQXSNA-INIZCTEOSA-N 0 0 307.434 3.471 20 10 DGCDRN CC[C@H](CNC(=O)NCc1c(O)cccc1F)CC(F)(F)F ZINC000922888170 621115075 /nfs/dbraw/zinc/11/50/75/621115075.db2.gz IHSWPTYSOYKRBZ-VIFPVBQESA-N 0 0 322.302 3.309 20 10 DGCDRN Cc1cc(C(=O)NCc2c(O)ccc3c2CCCC3)cnc1F ZINC000857714495 621115655 /nfs/dbraw/zinc/11/56/55/621115655.db2.gz PYKUREBNIHNNAQ-UHFFFAOYSA-N 0 0 314.360 3.044 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc[nH]c1=S ZINC000115489809 621116633 /nfs/dbraw/zinc/11/66/33/621116633.db2.gz CCZUQTKZGUWSGL-UHFFFAOYSA-N 0 0 301.415 3.049 20 10 DGCDRN Cc1cc(CN2Cc3ccccc3N(C)C(=O)C2)ccc1N(C)C ZINC000857887221 621127689 /nfs/dbraw/zinc/12/76/89/621127689.db2.gz PMXPPXOBHJIOSA-UHFFFAOYSA-N 0 0 323.440 3.040 20 10 DGCDRN C[C@]1([NH2+]Cc2cc(F)cc(F)c2[O-])CCOc2ccccc21 ZINC000923023758 621148430 /nfs/dbraw/zinc/14/84/30/621148430.db2.gz CNMUFGFMPUJLOW-KRWDZBQOSA-N 0 0 305.324 3.458 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(CC(C)C)C1CC1 ZINC000115854016 621152242 /nfs/dbraw/zinc/15/22/42/621152242.db2.gz URMDCMMXLCBQQP-UHFFFAOYSA-N 0 0 303.450 3.391 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C)C(C1CC1)C1CC1 ZINC000115854022 621152512 /nfs/dbraw/zinc/15/25/12/621152512.db2.gz NRWNQXDYUWKOJS-UHFFFAOYSA-N 0 0 315.461 3.391 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCC(C)C)cc1 ZINC000858112759 621154039 /nfs/dbraw/zinc/15/40/39/621154039.db2.gz JVUSNHHVYISJCT-UHFFFAOYSA-N 0 0 312.413 3.221 20 10 DGCDRN CCC(F)(F)C(C)(C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000858121089 621155197 /nfs/dbraw/zinc/15/51/97/621155197.db2.gz UMRCMALTFABENT-UHFFFAOYSA-N 0 0 302.321 3.462 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCCO[C@@H]2CCCC[C@@H]2C)c1 ZINC000858153245 621159169 /nfs/dbraw/zinc/15/91/69/621159169.db2.gz JRUNLSSIPHLQGL-WMLDXEAASA-N 0 0 320.433 3.095 20 10 DGCDRN CCn1nc(C)c(NCc2cc(F)c(N(C)C)cc2F)c1C ZINC000858153528 621159178 /nfs/dbraw/zinc/15/91/78/621159178.db2.gz NVHQMHKCTOEWHV-UHFFFAOYSA-N 0 0 308.376 3.476 20 10 DGCDRN CCCCC(=O)NCc1cc(NC(=O)CCCC)ccc1O ZINC000923126483 621160125 /nfs/dbraw/zinc/16/01/25/621160125.db2.gz JBMOXMQPWQAFMM-UHFFFAOYSA-N 0 0 306.406 3.327 20 10 DGCDRN Cn1cc([C@H](NCc2cc(Cl)ccc2O)C(F)(F)F)cn1 ZINC000858164740 621160510 /nfs/dbraw/zinc/16/05/10/621160510.db2.gz WXKDFHZRWWDZDL-LBPRGKRZSA-N 0 0 319.714 3.172 20 10 DGCDRN CCn1ccnc1[C@@H](C)NCc1c(O)cccc1Br ZINC000858172119 621160900 /nfs/dbraw/zinc/16/09/00/621160900.db2.gz KLCYEDFOSUWJSG-SNVBAGLBSA-N 0 0 324.222 3.222 20 10 DGCDRN CCc1noc(C)c1CNCc1cc(F)c(N(C)C)cc1F ZINC000858168631 621161194 /nfs/dbraw/zinc/16/11/94/621161194.db2.gz AQEOLHOAHVDZHN-UHFFFAOYSA-N 0 0 309.360 3.179 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@@]2(C)c2ccccc2)c1 ZINC000858248185 621168125 /nfs/dbraw/zinc/16/81/25/621168125.db2.gz UADQWZCMCUTUKU-MJGOQNOKSA-N 0 0 310.397 3.230 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCCCc2cccs2)c1 ZINC000858339446 621178024 /nfs/dbraw/zinc/17/80/24/621178024.db2.gz XYROHZLXCGIYTF-UHFFFAOYSA-N 0 0 304.415 3.194 20 10 DGCDRN CN(C)c1ccc(CN(c2cc(Cl)nc(=O)[nH]2)C2CC2)cc1 ZINC000858357203 621180320 /nfs/dbraw/zinc/18/03/20/621180320.db2.gz GBEYLYLZUHWBFF-UHFFFAOYSA-N 0 0 318.808 3.071 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H](OC(C)C)C2(C)C)c1 ZINC000858363379 621181259 /nfs/dbraw/zinc/18/12/59/621181259.db2.gz IRDOIHCNGXJQQV-CVEARBPZSA-N 0 0 320.433 3.092 20 10 DGCDRN C[C@@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccns1 ZINC000858369799 621182302 /nfs/dbraw/zinc/18/23/02/621182302.db2.gz XWWBFNSPLMSTGX-VXGBXAGGSA-N 0 0 318.446 3.331 20 10 DGCDRN CC[C@H](C)Oc1cc(NCc2cccc(OC)c2O)nc(C)n1 ZINC000858387318 621184581 /nfs/dbraw/zinc/18/45/81/621184581.db2.gz DZGAIXHMCFXGTM-NSHDSACASA-N 0 0 317.389 3.289 20 10 DGCDRN CCC[C@H](OCC)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000858451758 621192914 /nfs/dbraw/zinc/19/29/14/621192914.db2.gz ANWALCMIZROIRH-KRWDZBQOSA-N 0 0 304.434 3.108 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC[C@H]2CCCCC2(F)F)c1 ZINC000858500545 621198614 /nfs/dbraw/zinc/19/86/14/621198614.db2.gz ISBYSTDDVIJOQF-CYBMUJFWSA-N 0 0 312.360 3.325 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCC[C@]2(C)C[C@]2(F)Cl)c1 ZINC000858584321 621207153 /nfs/dbraw/zinc/20/71/53/621207153.db2.gz RIYGLJKAISVMGD-HUUCEWRRSA-N 0 0 314.788 3.205 20 10 DGCDRN CC[C@@H]([NH2+]CCN(C)CC(F)F)c1cccc(Cl)c1[O-] ZINC000858596324 621208118 /nfs/dbraw/zinc/20/81/18/621208118.db2.gz FCLRDIFMHHEUKC-GFCCVEGCSA-N 0 0 306.784 3.283 20 10 DGCDRN CCO[C@H](C(=O)N(CC)Cc1ccc(N(C)C)cc1)C(C)C ZINC000858827219 621223197 /nfs/dbraw/zinc/22/31/97/621223197.db2.gz XTWQNBLIRRLXCT-KRWDZBQOSA-N 0 0 306.450 3.162 20 10 DGCDRN C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccns1 ZINC000858966855 621235652 /nfs/dbraw/zinc/23/56/52/621235652.db2.gz VQZRCWCGQNNWSU-LBPRGKRZSA-N 0 0 318.446 3.112 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)NOCC2CC2)cc1 ZINC000838603354 621263949 /nfs/dbraw/zinc/26/39/49/621263949.db2.gz HCNMKPKQYXSNKA-UHFFFAOYSA-N 0 0 305.422 3.016 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H]1c1ccccc1F ZINC000838758352 621275509 /nfs/dbraw/zinc/27/55/09/621275509.db2.gz SMHOHCVTGVCMHX-GOEBONIOSA-N 0 0 314.360 3.229 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1conc1C(C)C ZINC000859421347 621276571 /nfs/dbraw/zinc/27/65/71/621276571.db2.gz XGYKPGQHHQQJEG-UHFFFAOYSA-N 0 0 301.390 3.102 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC2(C)C)cc1 ZINC000859510190 621284913 /nfs/dbraw/zinc/28/49/13/621284913.db2.gz IJIJRTHKTAYFAG-UHFFFAOYSA-N 0 0 324.424 3.460 20 10 DGCDRN C/C(=C\C(=O)N1CCCc2cc(C)cc(F)c21)c1cnccn1 ZINC000839258349 621352984 /nfs/dbraw/zinc/35/29/84/621352984.db2.gz SWUUOWXMUUCAQB-JLHYYAGUSA-N 0 0 311.360 3.307 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Cc1cc(C(F)(F)F)ccn1 ZINC000860049034 621358610 /nfs/dbraw/zinc/35/86/10/621358610.db2.gz OVNRKYZEZKNVGC-UHFFFAOYSA-N 0 0 324.302 3.007 20 10 DGCDRN Cc1cc2cc(CNC(=O)/C=C\c3ccc(O)c(O)c3)ccc2[nH]1 ZINC000804886868 621385778 /nfs/dbraw/zinc/38/57/78/621385778.db2.gz RXOVVNJLKCNEON-DAXSKMNVSA-N 0 0 322.364 3.217 20 10 DGCDRN CC[C@H]([NH2+]CCOC[C@H]1CCOC1)c1cccc(Cl)c1[O-] ZINC000806139568 621390594 /nfs/dbraw/zinc/39/05/94/621390594.db2.gz PRPWBNZACDWTJE-WFASDCNBSA-N 0 0 313.825 3.139 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)OC[C@H]1CCCO1 ZINC000804960520 621390877 /nfs/dbraw/zinc/39/08/77/621390877.db2.gz RDZDOVWEPOZLAQ-QGZVFWFLSA-N 0 0 320.433 3.279 20 10 DGCDRN CO[C@H]1CCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC000752476185 621394385 /nfs/dbraw/zinc/39/43/85/621394385.db2.gz OIIGUTGOTRYLKR-KRWDZBQOSA-N 0 0 312.413 3.263 20 10 DGCDRN CO[C@@H]1CCN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1 ZINC000752733352 621406999 /nfs/dbraw/zinc/40/69/99/621406999.db2.gz YKBVDVJPGPCSFU-MRXNPFEDSA-N 0 0 312.413 3.263 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](c1ccccc1)C1CC1 ZINC000117570582 621416496 /nfs/dbraw/zinc/41/64/96/621416496.db2.gz TWYZUOLUXKDAPS-KOTDBNOLSA-N 0 0 309.365 3.379 20 10 DGCDRN Cc1cc(NS(=O)(=O)Cc2cccc(Cl)c2)ccc1O ZINC000753017047 621420416 /nfs/dbraw/zinc/42/04/16/621420416.db2.gz RXUOIDCSCWDEJT-UHFFFAOYSA-N 0 0 311.790 3.296 20 10 DGCDRN COc1cc(F)c(F)cc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000753082788 621423663 /nfs/dbraw/zinc/42/36/63/621423663.db2.gz FHOXVILFQXRGLS-HYXAFXHYSA-N 0 0 321.279 3.037 20 10 DGCDRN Cc1ccc([C@@H]2CCN(C(=O)/C=C\c3ccc(O)c(O)c3)C2)cc1 ZINC000753199795 621430712 /nfs/dbraw/zinc/43/07/12/621430712.db2.gz QHWOWZKXSOXTSQ-VWTAQGJOSA-N 0 0 323.392 3.436 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCC1(C(C)C)CC1 ZINC000753346818 621437401 /nfs/dbraw/zinc/43/74/01/621437401.db2.gz BMXCYVRUWAHSNQ-UHFFFAOYSA-N 0 0 303.450 3.296 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)c3nn(C)cc3Cl)cc12 ZINC000860835351 621448078 /nfs/dbraw/zinc/44/80/78/621448078.db2.gz YEGIJPQFSUZCKT-UHFFFAOYSA-N 0 0 317.776 3.401 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)c3cocc3C)C2)cc1 ZINC000860842935 621449402 /nfs/dbraw/zinc/44/94/02/621449402.db2.gz SDVJCYKVRPRPSZ-AWEZNQCLSA-N 0 0 315.369 3.280 20 10 DGCDRN CC[C@H](C)n1nc(NC(=O)NCc2cc(C)ccc2O)cc1C ZINC000860879560 621454253 /nfs/dbraw/zinc/45/42/53/621454253.db2.gz CFVGGUOPMGQTFR-LBPRGKRZSA-N 0 0 316.405 3.498 20 10 DGCDRN COCCCONC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000805045279 621458432 /nfs/dbraw/zinc/45/84/32/621458432.db2.gz OAMWASPEBPIOML-UHFFFAOYSA-N 0 0 316.401 3.100 20 10 DGCDRN C[C@H](NC(=O)c1ocnc1C(F)F)c1ccc(N(C)C)cc1 ZINC000860949712 621461307 /nfs/dbraw/zinc/46/13/07/621461307.db2.gz BANUFKNSJSJCGG-VIFPVBQESA-N 0 0 309.316 3.169 20 10 DGCDRN CC(=O)C[C@H](C)NC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC000753863955 621469135 /nfs/dbraw/zinc/46/91/35/621469135.db2.gz XDOAOSIFBCPTGX-ZDUSSCGKSA-N 0 0 312.413 3.500 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2cnc(CC(C)C)nc2)c1 ZINC000861034207 621469511 /nfs/dbraw/zinc/46/95/11/621469511.db2.gz KXTLSJPZXKKVBS-UHFFFAOYSA-N 0 0 314.389 3.011 20 10 DGCDRN CCOc1ccc(NC(=O)NCc2cc(C)ccc2O)nc1C ZINC000861217442 621493057 /nfs/dbraw/zinc/49/30/57/621493057.db2.gz YAJVSAHRVWXEGK-UHFFFAOYSA-N 0 0 315.373 3.124 20 10 DGCDRN O=C(Nc1cc(Br)ccc1O)C1=CC(=O)CS1 ZINC000754443127 621511093 /nfs/dbraw/zinc/51/10/93/621511093.db2.gz YIWMYRRUUXNNRZ-UHFFFAOYSA-N 0 0 314.160 3.174 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)[C@@H]2CCCOC2)c1[O-] ZINC000754566983 621517302 /nfs/dbraw/zinc/51/73/02/621517302.db2.gz NCWLZBDHPMJWMW-ZYHUDNBSSA-N 0 0 311.809 3.153 20 10 DGCDRN CCCCOCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000118307236 621518634 /nfs/dbraw/zinc/51/86/34/621518634.db2.gz DLLSPNNTUCSOSM-UHFFFAOYSA-N 0 0 318.461 3.452 20 10 DGCDRN CCCCOCC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000118336571 621520471 /nfs/dbraw/zinc/52/04/71/621520471.db2.gz VUKFHNZTWUJHQV-UHFFFAOYSA-N 0 0 318.461 3.356 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ncc(C)cc1OC ZINC000754653770 621522424 /nfs/dbraw/zinc/52/24/24/621522424.db2.gz CMXBWACEUZBTQV-UHFFFAOYSA-N 0 0 314.385 3.157 20 10 DGCDRN CCO[C@H](C)c1noc(CN(C)Cc2cc(C)cc(C)c2O)n1 ZINC000754742166 621530052 /nfs/dbraw/zinc/53/00/52/621530052.db2.gz RBQGHLIKPJMBOW-CYBMUJFWSA-N 0 0 319.405 3.122 20 10 DGCDRN C/C=C/C[C@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000861639136 621530696 /nfs/dbraw/zinc/53/06/96/621530696.db2.gz AMSKSCDPIMQLFS-KZSQQDEKSA-N 0 0 301.434 3.199 20 10 DGCDRN CCC(F)(F)C(C)(C)CNC(=O)NCCc1ccc(N)cc1 ZINC000861639807 621530797 /nfs/dbraw/zinc/53/07/97/621530797.db2.gz HKNGLEWCZOYUJX-UHFFFAOYSA-N 0 0 313.392 3.182 20 10 DGCDRN CCC1CN(C(=O)c2ccccc2-n2c(C)cc(C=O)c2C)C1 ZINC000861944891 621547330 /nfs/dbraw/zinc/54/73/30/621547330.db2.gz YUJBXUOJDYZFGN-UHFFFAOYSA-N 0 0 310.397 3.389 20 10 DGCDRN Cc1cocc1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000862003118 621549891 /nfs/dbraw/zinc/54/98/91/621549891.db2.gz YTQBRDNQCGZJBY-CQSZACIVSA-N 0 0 300.402 3.323 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)C(F)=C1CCCC1 ZINC000862027550 621551056 /nfs/dbraw/zinc/55/10/56/621551056.db2.gz WQUBXIBKGJNHNR-UHFFFAOYSA-N 0 0 300.333 3.354 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)C1(F)CCCCC1 ZINC000862026545 621551123 /nfs/dbraw/zinc/55/11/23/621551123.db2.gz SBXIDDXMYOSJQM-UHFFFAOYSA-N 0 0 302.349 3.229 20 10 DGCDRN CCCCSCCC(=O)NCc1ccc2cccnc2c1O ZINC000862028373 621551219 /nfs/dbraw/zinc/55/12/19/621551219.db2.gz WWFKNDLGALWROP-UHFFFAOYSA-N 0 0 318.442 3.480 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1CC12CC2 ZINC000862036191 621551473 /nfs/dbraw/zinc/55/14/73/621551473.db2.gz RBRXTUMOGCOXFC-KRWDZBQOSA-N 0 0 308.381 3.189 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(C)CCCO1 ZINC000755173718 621557104 /nfs/dbraw/zinc/55/71/04/621557104.db2.gz JHHLHTXHYQIQPZ-GOSISDBHSA-N 0 0 304.434 3.059 20 10 DGCDRN CN(C)c1cc(F)c(CN(C)Cc2cccc(O)c2)cc1F ZINC000862213116 621562268 /nfs/dbraw/zinc/56/22/68/621562268.db2.gz VQLFPHKRPYNYBE-UHFFFAOYSA-N 0 0 306.356 3.368 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2cnns2)cc1 ZINC000755335624 621567112 /nfs/dbraw/zinc/56/71/12/621567112.db2.gz LLNVGCYEIMPZIP-UHFFFAOYSA-N 0 0 319.434 3.048 20 10 DGCDRN C[C@@H]1CCN(Cc2c(O)cccc2Br)C[C@@H]1F ZINC000862302135 621573105 /nfs/dbraw/zinc/57/31/05/621573105.db2.gz XFJZYEUWWDZTCH-SKDRFNHKSA-N 0 0 302.187 3.335 20 10 DGCDRN C[C@@H]1CN(Cc2cc(F)c(N(C)C)cc2F)C2(CCC2)CO1 ZINC000862403940 621585482 /nfs/dbraw/zinc/58/54/82/621585482.db2.gz YOTPOGMDNUAVDA-GFCCVEGCSA-N 0 0 310.388 3.174 20 10 DGCDRN COc1ccc(O)c(CN[C@H](c2nccs2)C(F)(F)F)c1 ZINC000862431034 621588514 /nfs/dbraw/zinc/58/85/14/621588514.db2.gz BYARUWFKVOWISY-LLVKDONJSA-N 0 0 318.320 3.251 20 10 DGCDRN FC(F)(F)[C@@H](NCc1ccc2c(c1)CCO2)c1nccs1 ZINC000862431582 621588787 /nfs/dbraw/zinc/58/87/87/621588787.db2.gz KWMUAAPVHINVHC-LBPRGKRZSA-N 0 0 314.332 3.471 20 10 DGCDRN CCN1C(=O)/C(=C/c2cccc(-n3cccn3)c2)SC1=S ZINC000203054311 621589916 /nfs/dbraw/zinc/58/99/16/621589916.db2.gz FROLSWZWHSBCKZ-RAXLEYEMSA-N 0 0 315.423 3.093 20 10 DGCDRN [O-]c1c(F)cccc1C[N@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000862481990 621593521 /nfs/dbraw/zinc/59/35/21/621593521.db2.gz CEUPJDYLUQKDOU-SFHVURJKSA-N 0 0 301.361 3.015 20 10 DGCDRN CC(C)CC[C@@H](CO)[NH2+]Cc1ccc(Br)cc1O ZINC000862481143 621593681 /nfs/dbraw/zinc/59/36/81/621593681.db2.gz TUDSORXROKPZJP-ZDUSSCGKSA-N 0 0 316.239 3.041 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](C(C)C)C1 ZINC000756035155 621611306 /nfs/dbraw/zinc/61/13/06/621611306.db2.gz DUGRGRBKTDJYOE-INIZCTEOSA-N 0 0 303.450 3.249 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccn(C3CCCCC3)n2)c1 ZINC000862756199 621613637 /nfs/dbraw/zinc/61/36/37/621613637.db2.gz SRAHMNOEGLRXPY-UHFFFAOYSA-N 0 0 313.401 3.332 20 10 DGCDRN CC[C@H](C)n1ncc(C(=O)NCc2cc(C)ccc2O)c1C ZINC000862757030 621613691 /nfs/dbraw/zinc/61/36/91/621613691.db2.gz DYNCRZYXXDQHSH-LBPRGKRZSA-N 0 0 301.390 3.107 20 10 DGCDRN Cc1sc(CC(=O)NCc2cc(C)ccc2O)nc1C(C)C ZINC000862755885 621613727 /nfs/dbraw/zinc/61/37/27/621613727.db2.gz MHXXZOAKLJCFPM-UHFFFAOYSA-N 0 0 318.442 3.448 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CCC[C@@H](O)c2ccccc2)c1 ZINC000862755035 621613924 /nfs/dbraw/zinc/61/39/24/621613924.db2.gz NMOQJJXITPZIDH-QGZVFWFLSA-N 0 0 313.397 3.221 20 10 DGCDRN CCc1c(C(=O)NCc2cc(C)ccc2O)cnn1C(C)(C)C ZINC000862759174 621614281 /nfs/dbraw/zinc/61/42/81/621614281.db2.gz XWAZHNPSPLMVAY-UHFFFAOYSA-N 0 0 315.417 3.145 20 10 DGCDRN CC[C@@H](C(=O)NCc1cc(C)ccc1O)c1c(C)noc1C ZINC000862758535 621614282 /nfs/dbraw/zinc/61/42/82/621614282.db2.gz CAMMNUDNOXELMV-CQSZACIVSA-N 0 0 302.374 3.115 20 10 DGCDRN CCC(CC)n1ccc(C(=O)NCc2cc(C)ccc2O)n1 ZINC000862758416 621614296 /nfs/dbraw/zinc/61/42/96/621614296.db2.gz YGEPEZMKCUBPHB-UHFFFAOYSA-N 0 0 301.390 3.188 20 10 DGCDRN CC[C@@H](OC1CCCCC1)C(=O)NCc1cc(C)ccc1O ZINC000862757761 621614407 /nfs/dbraw/zinc/61/44/07/621614407.db2.gz DIDGUIDATPQFFF-QGZVFWFLSA-N 0 0 305.418 3.445 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CCc2ccc(N(C)C)cc2)c1 ZINC000862760415 621614703 /nfs/dbraw/zinc/61/47/03/621614703.db2.gz SDRWYKMUTJUDRT-UHFFFAOYSA-N 0 0 312.413 3.016 20 10 DGCDRN COC(=O)/C=C/c1ccc(N2CC[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000756141825 621618126 /nfs/dbraw/zinc/61/81/26/621618126.db2.gz ZAULWCNYPQQALG-DYLGSBMWSA-N 0 0 318.373 3.263 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC2(C1)CCCO2 ZINC000862820042 621620588 /nfs/dbraw/zinc/62/05/88/621620588.db2.gz SZWNGRSORJXJNI-UHFFFAOYSA-N 0 0 324.424 3.408 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]CC2(CC(=O)[O-])CCC2)cc1F ZINC000756312002 621627325 /nfs/dbraw/zinc/62/73/25/621627325.db2.gz YWDAWMLUDFGHCT-UHFFFAOYSA-N 0 0 322.424 3.407 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1cc(F)cc(F)c1[O-] ZINC000756344178 621629636 /nfs/dbraw/zinc/62/96/36/621629636.db2.gz RPRBBTGQZMJEMQ-SECBINFHSA-N 0 0 307.296 3.250 20 10 DGCDRN COc1ccc(OCC[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756357108 621630743 /nfs/dbraw/zinc/63/07/43/621630743.db2.gz BRMZLEMCFXPZGX-LLVKDONJSA-N 0 0 323.339 3.409 20 10 DGCDRN C[C@H]([NH2+]CCc1ccccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756358097 621631030 /nfs/dbraw/zinc/63/10/30/621631030.db2.gz QZAXJZJFPRRFOA-NSHDSACASA-N 0 0 304.321 3.333 20 10 DGCDRN Cc1ccc(OCC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000756371472 621632257 /nfs/dbraw/zinc/63/22/57/621632257.db2.gz JYICLYUJLLZTTJ-ZDUSSCGKSA-N 0 0 316.357 3.338 20 10 DGCDRN C[C@]1(C(=O)[O-])CCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000756385405 621633929 /nfs/dbraw/zinc/63/39/29/621633929.db2.gz DMOIKIDJWUTQAC-HKUYNNGSSA-N 0 0 316.445 3.410 20 10 DGCDRN C[C@H]([NH2+]CCc1cnn(C)c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756442410 621639064 /nfs/dbraw/zinc/63/90/64/621639064.db2.gz PIDFMXTVGUIXJO-VIFPVBQESA-N 0 0 314.216 3.326 20 10 DGCDRN C[C@H]1C[C@@H]([NH2+]CCCCn2ccnc2)c2c1c(F)ccc2O ZINC000756458238 621639539 /nfs/dbraw/zinc/63/95/39/621639539.db2.gz KQTADRPKFDZNAU-GXTWGEPZSA-N 0 0 303.381 3.346 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000756459572 621640014 /nfs/dbraw/zinc/64/00/14/621640014.db2.gz PKWZZVYINZHPNY-HIFRSBDPSA-N 0 0 303.377 3.033 20 10 DGCDRN C[C@H]([NH2+]CCN1CCc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000756483822 621641239 /nfs/dbraw/zinc/64/12/39/621641239.db2.gz RWUGOZRROCUYNJ-LBPRGKRZSA-N 0 0 318.367 3.384 20 10 DGCDRN C[C@@H]([NH2+][C@H]1COc2ccccc2C1)c1cc(F)cc(F)c1[O-] ZINC000756494846 621642030 /nfs/dbraw/zinc/64/20/30/621642030.db2.gz OLZTTZMUSCQSBH-ZWNOBZJWSA-N 0 0 305.324 3.325 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cc(F)cc(F)c1[O-] ZINC000756514034 621643933 /nfs/dbraw/zinc/64/39/33/621643933.db2.gz CXPNFRYVORKIHS-SNVBAGLBSA-N 0 0 305.324 3.456 20 10 DGCDRN CO[C@H](C)CC[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756526977 621645053 /nfs/dbraw/zinc/64/50/53/621645053.db2.gz IPHCPXLLRDQBMP-BDAKNGLRSA-N 0 0 320.202 3.369 20 10 DGCDRN Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756570316 621650067 /nfs/dbraw/zinc/65/00/67/621650067.db2.gz AMIYDXSZHNHNQK-DTWKUNHWSA-N 0 0 305.334 3.317 20 10 DGCDRN Cc1ccnc(CN2CCCc3cc(OC(F)F)ccc32)n1 ZINC000756571546 621650238 /nfs/dbraw/zinc/65/02/38/621650238.db2.gz HDSGXSHOAFPXGP-UHFFFAOYSA-N 0 0 305.328 3.339 20 10 DGCDRN CC[C@H]1CCCCN1CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756575327 621650298 /nfs/dbraw/zinc/65/02/98/621650298.db2.gz PDTRORZJYHPYGG-KGLIPLIRSA-N 0 0 321.421 3.216 20 10 DGCDRN CC(C)Cn1ccnc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756596382 621651865 /nfs/dbraw/zinc/65/18/65/621651865.db2.gz CIWDXCRXMXZLGB-LBPRGKRZSA-N 0 0 318.377 3.004 20 10 DGCDRN C[C@H]([NH2+]CCOCc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756634610 621654659 /nfs/dbraw/zinc/65/46/59/621654659.db2.gz BFFUETGKZLULTI-ZDUSSCGKSA-N 0 0 316.357 3.168 20 10 DGCDRN Cc1noc(C)c1CCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756640476 621655037 /nfs/dbraw/zinc/65/50/37/621655037.db2.gz MSMUUTMGMJUUMF-JTQLQIEISA-N 0 0 319.361 3.189 20 10 DGCDRN Cc1cc(C)cc(NC(=O)CN(C)c2ccc3c(c2)OCO3)c1 ZINC000756654448 621656659 /nfs/dbraw/zinc/65/66/59/621656659.db2.gz UOYPYTCVNXJLDY-UHFFFAOYSA-N 0 0 312.369 3.107 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cc(F)cc(F)c1[O-] ZINC000756672545 621657812 /nfs/dbraw/zinc/65/78/12/621657812.db2.gz PXQFYRFIYBDTQC-SECBINFHSA-N 0 0 308.284 3.429 20 10 DGCDRN C[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])Oc1ccccc1 ZINC000756707389 621659606 /nfs/dbraw/zinc/65/96/06/621659606.db2.gz YLIDUOAFQFJXCD-OLZOCXBDSA-N 0 0 316.357 3.419 20 10 DGCDRN C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756713057 621659783 /nfs/dbraw/zinc/65/97/83/621659783.db2.gz SPVADNMRZFGIIX-PEBVRCNWSA-N 0 0 321.367 3.486 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCSC1)c1cc(Br)cc(F)c1[O-] ZINC000756730869 621661239 /nfs/dbraw/zinc/66/12/39/621661239.db2.gz CAVAHPSCJHHFHC-VXNVDRBHSA-N 0 0 320.227 3.450 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CCSC1)c1cc(Br)c(F)cc1[O-] ZINC000756734146 621661254 /nfs/dbraw/zinc/66/12/54/621661254.db2.gz UXXAKLGRPUTGIZ-SFYZADRCSA-N 0 0 320.227 3.450 20 10 DGCDRN Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756736931 621661928 /nfs/dbraw/zinc/66/19/28/621661928.db2.gz PXUVVWWBMSKBTA-ZWNOBZJWSA-N 0 0 322.386 3.055 20 10 DGCDRN C[C@H]([NH2+]CCC[C@@H]1CCCC[C@@H]1O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756758441 621662719 /nfs/dbraw/zinc/66/27/19/621662719.db2.gz GUAYQSMRKKOWCB-XEZPLFJOSA-N 0 0 322.405 3.282 20 10 DGCDRN C[C@H]([NH2+]CCc1ccc(CO)cc1)c1cc(F)cc(F)c1[O-] ZINC000756787990 621664949 /nfs/dbraw/zinc/66/49/49/621664949.db2.gz AMASOHCNCNUUQJ-NSHDSACASA-N 0 0 307.340 3.056 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)C(C)(C)O)c1cc(Br)c(F)cc1[O-] ZINC000756820570 621666739 /nfs/dbraw/zinc/66/67/39/621666739.db2.gz YHHUJONALKALBM-SFYZADRCSA-N 0 0 320.202 3.104 20 10 DGCDRN C[C@H](Nc1cccc2c1oc(=O)n2C)c1ccc(F)cc1O ZINC000756856484 621668544 /nfs/dbraw/zinc/66/85/44/621668544.db2.gz QSKDPIDKQBTYHB-VIFPVBQESA-N 0 0 302.305 3.149 20 10 DGCDRN C[C@@H](Nc1cccc2c1oc(=O)n2C)c1cc(F)ccc1O ZINC000756855628 621668611 /nfs/dbraw/zinc/66/86/11/621668611.db2.gz LMMWSEOGJMLVAC-SECBINFHSA-N 0 0 302.305 3.149 20 10 DGCDRN CC[C@H]1CC[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)O1 ZINC000756916352 621672802 /nfs/dbraw/zinc/67/28/02/621672802.db2.gz LWNYURVRYYSAPX-ROUUACIJSA-N 0 0 318.461 3.447 20 10 DGCDRN CC[C@@H]1CC[C@H](C(=O)NCc2ccc(N(CC)CC)cc2)O1 ZINC000756916765 621672877 /nfs/dbraw/zinc/67/28/77/621672877.db2.gz INVNFPNITXXKEF-IAGOWNOFSA-N 0 0 304.434 3.107 20 10 DGCDRN CC[C@@H]1CC[C@@H](C(=O)NCc2ccc(N(CC)CC)cc2)O1 ZINC000756916769 621672894 /nfs/dbraw/zinc/67/28/94/621672894.db2.gz INVNFPNITXXKEF-SJORKVTESA-N 0 0 304.434 3.107 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCC23CCC(CC2)C3)c1 ZINC000757053667 621682869 /nfs/dbraw/zinc/68/28/69/621682869.db2.gz RXIYCOLTZVTJRW-WHENESEISA-N 0 0 318.417 3.341 20 10 DGCDRN CN(Cc1c(Cl)n(C)nc1C(F)(F)F)c1ccc(N)cc1 ZINC000863558517 621683696 /nfs/dbraw/zinc/68/36/96/621683696.db2.gz LYVBJQRBZLNLKS-UHFFFAOYSA-N 0 0 318.730 3.311 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CC(C)(C)COC)cc1 ZINC000839547455 621694098 /nfs/dbraw/zinc/69/40/98/621694098.db2.gz IIKYHEKKLKKZJF-UHFFFAOYSA-N 0 0 306.450 3.212 20 10 DGCDRN Nc1ccc(Cc2noc([C@H]3[C@@H]4c5ccccc5C[C@@H]43)n2)cc1 ZINC000863655638 621694783 /nfs/dbraw/zinc/69/47/83/621694783.db2.gz HBNXKCOJWYGYMS-CGTJXYLNSA-N 0 0 303.365 3.296 20 10 DGCDRN C[C@H](NCc1nc(N)c2ccccc2n1)c1ccc(N(C)C)cc1 ZINC000839563184 621697044 /nfs/dbraw/zinc/69/70/44/621697044.db2.gz HSDJDFZPCIQWPL-ZDUSSCGKSA-N 0 0 321.428 3.129 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCC[C@H](C)C2)c1 ZINC000103512967 621698480 /nfs/dbraw/zinc/69/84/80/621698480.db2.gz MACLEXOCICBACQ-AVGNSLFASA-N 0 0 306.406 3.340 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CCO[C@@H](C3CCC3)C2)c1O ZINC000839622348 621701336 /nfs/dbraw/zinc/70/13/36/621701336.db2.gz BUZVSDISEGUJNU-MRXNPFEDSA-N 0 0 323.820 3.249 20 10 DGCDRN COc1cccc(CNC(=O)Cc2cccc(C3CC3)c2)c1O ZINC000839633857 621702973 /nfs/dbraw/zinc/70/29/73/621702973.db2.gz XDZUACOZUYGMCD-UHFFFAOYSA-N 0 0 311.381 3.137 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1C(=O)[O-] ZINC000863740376 621705807 /nfs/dbraw/zinc/70/58/07/621705807.db2.gz UTBUCKBZCIGREO-QAPCUYQASA-N 0 0 316.445 3.220 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000863738655 621705858 /nfs/dbraw/zinc/70/58/58/621705858.db2.gz DAHJLSVPVKJHJT-PBHICJAKSA-N 0 0 304.434 3.075 20 10 DGCDRN Cc1ccc(OC(F)F)c(CNC(=O)C2=CC(=O)CS2)c1 ZINC000757426193 621709712 /nfs/dbraw/zinc/70/97/12/621709712.db2.gz QMQPWLXRFVLHGD-UHFFFAOYSA-N 0 0 313.325 3.294 20 10 DGCDRN Cc1ccc(C(=O)NCCCSc2nccs2)nc1C ZINC000839681433 621711888 /nfs/dbraw/zinc/71/18/88/621711888.db2.gz PEMYCVBWKOKVAO-UHFFFAOYSA-N 0 0 307.444 3.067 20 10 DGCDRN Cc1ncsc1CCC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000839729143 621717466 /nfs/dbraw/zinc/71/74/66/621717466.db2.gz RQTBKOIGAKHFHQ-GFCCVEGCSA-N 0 0 317.458 3.328 20 10 DGCDRN CC[C@H](C(=O)NCc1cc(C)n(-c2ccccc2)c1C)[C@@H](C)O ZINC000863940954 621720011 /nfs/dbraw/zinc/72/00/11/621720011.db2.gz RFODZNXTXFGOQG-QAPCUYQASA-N 0 0 314.429 3.117 20 10 DGCDRN C[NH+](C)Cc1ccc(NCc2ccc(F)c(F)c2[O-])c(F)c1 ZINC000864040273 621730436 /nfs/dbraw/zinc/73/04/36/621730436.db2.gz JIXGCLQZZOVZKY-UHFFFAOYSA-N 0 0 310.319 3.483 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCCCS2)c1 ZINC000757659775 621731985 /nfs/dbraw/zinc/73/19/85/621731985.db2.gz ZJGGVUCOAFGFFP-YPMHNXCESA-N 0 0 309.431 3.115 20 10 DGCDRN CN(C)c1ccc(OCC(=O)NC2CCCCCCC2)cc1 ZINC000757705845 621734796 /nfs/dbraw/zinc/73/47/96/621734796.db2.gz ZGWHUMLDKRZOPG-UHFFFAOYSA-N 0 0 304.434 3.361 20 10 DGCDRN CCN1C(=O)/C(=C\c2ccc(C(F)(F)F)[nH]2)SC1=S ZINC000864087070 621735099 /nfs/dbraw/zinc/73/50/99/621735099.db2.gz OSHIFFHGLYKHIH-FNORWQNLSA-N 0 0 306.334 3.255 20 10 DGCDRN CCCN(CC(=O)OC(C)(C)C)Cc1cc(OCC)ccc1O ZINC000758028835 621754340 /nfs/dbraw/zinc/75/43/40/621754340.db2.gz GRIGHOOWSBXGDE-UHFFFAOYSA-N 0 0 323.433 3.345 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2nc(Cl)ccc2F)cc1 ZINC000758156828 621762124 /nfs/dbraw/zinc/76/21/24/621762124.db2.gz ZTNPMOHDPQNVTG-UHFFFAOYSA-N 0 0 321.783 3.212 20 10 DGCDRN CN(Cc1c(Cl)nc(Cl)n1C)Cc1ccccc1O ZINC000120063369 621769416 /nfs/dbraw/zinc/76/94/16/621769416.db2.gz PEGZVYWYRFJXLS-UHFFFAOYSA-N 0 0 300.189 3.065 20 10 DGCDRN O=C([O-])C[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)C1CCCCC1 ZINC000864521298 621778253 /nfs/dbraw/zinc/77/82/53/621778253.db2.gz NVZHCNIEQFBXJP-KRWDZBQOSA-N 0 0 317.429 3.382 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C2([C@H]3CCCCO3)CCC2)cc1 ZINC000864573145 621786858 /nfs/dbraw/zinc/78/68/58/621786858.db2.gz HAPBJRKXVFNVJE-QGZVFWFLSA-N 0 0 316.445 3.108 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@H]2CC23CCCC3)cc1F ZINC000758545622 621787983 /nfs/dbraw/zinc/78/79/83/621787983.db2.gz OGLXBBZRTHVOED-HNNXBMFYSA-N 0 0 305.397 3.024 20 10 DGCDRN Cc1ccccc1OCCCOC(=O)c1cccc(O)c1O ZINC000758570871 621789840 /nfs/dbraw/zinc/78/98/40/621789840.db2.gz BFAFDNZMZWCCAR-UHFFFAOYSA-N 0 0 302.326 3.032 20 10 DGCDRN OC[C@@H](CC(F)F)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000758616109 621791686 /nfs/dbraw/zinc/79/16/86/621791686.db2.gz QAQMBLXRLHTVBE-OAHLLOKOSA-N 0 0 307.340 3.165 20 10 DGCDRN Oc1cccc(Cl)c1CNc1ccn(-c2ncccc2F)n1 ZINC000758634203 621792681 /nfs/dbraw/zinc/79/26/81/621792681.db2.gz SRGIXNBBINELHO-UHFFFAOYSA-N 0 0 318.739 3.378 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2cccc3c2C(=O)CC3)cc1 ZINC000864634643 621794523 /nfs/dbraw/zinc/79/45/23/621794523.db2.gz UDEJKYBJFLIISY-UHFFFAOYSA-N 0 0 322.408 3.154 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CC12CCCC2 ZINC000758790770 621801356 /nfs/dbraw/zinc/80/13/56/621801356.db2.gz OGGFSNIQJYPOPX-MRXNPFEDSA-N 0 0 301.434 3.193 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CC[C@@H](C)C(C)(C)C2)cc1OC ZINC000758956772 621814490 /nfs/dbraw/zinc/81/44/90/621814490.db2.gz YMMIJROEKMPOIT-LLVKDONJSA-N 0 0 308.378 3.484 20 10 DGCDRN CCOc1ccc(CNc2nnc(C(F)F)s2)c(O)c1 ZINC000759096090 621824704 /nfs/dbraw/zinc/82/47/04/621824704.db2.gz LXCXIBGLAHQXSW-UHFFFAOYSA-N 0 0 301.318 3.192 20 10 DGCDRN CC/C=C(/F)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000864919242 621830302 /nfs/dbraw/zinc/83/03/02/621830302.db2.gz SGSXTVNMALTLAV-CRKCGEKBSA-N 0 0 308.422 3.119 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CC2(CSC2)C1 ZINC000865026897 621847990 /nfs/dbraw/zinc/84/79/90/621847990.db2.gz CERBHSNBNOAGLD-UHFFFAOYSA-N 0 0 318.486 3.244 20 10 DGCDRN Cc1cc(C(=O)NOCC(F)F)c(C)n1-c1ccc(F)cc1 ZINC000759349644 621848455 /nfs/dbraw/zinc/84/84/55/621848455.db2.gz OQILZFAXOBDQGJ-UHFFFAOYSA-N 0 0 312.291 3.160 20 10 DGCDRN C[C@@H]1C[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)[C@@H](C)O1 ZINC000865030629 621848641 /nfs/dbraw/zinc/84/86/41/621848641.db2.gz BCAZJRRYDAHIJU-IIDMSEBBSA-N 0 0 316.445 3.107 20 10 DGCDRN CCOC1CC(C(=O)NCc2ccc(N(CC)CC)c(F)c2)C1 ZINC000805181065 621858671 /nfs/dbraw/zinc/85/86/71/621858671.db2.gz HPKNBQWXUXNCMJ-UHFFFAOYSA-N 0 0 322.424 3.103 20 10 DGCDRN CCC(=O)CCCOC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000759478951 621863656 /nfs/dbraw/zinc/86/36/56/621863656.db2.gz UQIUTGGUZKVTDF-UHFFFAOYSA-N 0 0 314.385 3.405 20 10 DGCDRN CN(CC(C)(C)C)C(=O)NCCCSc1nccs1 ZINC000759586842 621873687 /nfs/dbraw/zinc/87/36/87/621873687.db2.gz VLKOJVGRJOXKHH-UHFFFAOYSA-N 0 0 301.481 3.313 20 10 DGCDRN CC(C)(C)c1cnc(COC(=O)/C=C/c2ccc(O)c(O)c2)o1 ZINC000759590840 621873845 /nfs/dbraw/zinc/87/38/45/621873845.db2.gz ATYFHGGKRZRLSP-FNORWQNLSA-N 0 0 317.341 3.140 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCc1ccc(F)c(F)c1 ZINC000759596940 621874127 /nfs/dbraw/zinc/87/41/27/621874127.db2.gz WUYQXZNXUNSDCB-UTCJRWHESA-N 0 0 306.264 3.133 20 10 DGCDRN COC(C)(C)c1nsc(NCc2ccc(N(C)C)cc2C)n1 ZINC000865295943 621892514 /nfs/dbraw/zinc/89/25/14/621892514.db2.gz OMGAMVKXMOQDJQ-UHFFFAOYSA-N 0 0 320.462 3.406 20 10 DGCDRN COC(C)(C)c1nsc(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000865296525 621892765 /nfs/dbraw/zinc/89/27/65/621892765.db2.gz YTMYNDQEXJCYSS-UHFFFAOYSA-N 0 0 324.425 3.237 20 10 DGCDRN CC(C)Oc1ccc(N(C)CC(=O)N2CCc3ccccc32)cc1 ZINC000759933333 621903783 /nfs/dbraw/zinc/90/37/83/621903783.db2.gz NCFVHMIAUBUOON-UHFFFAOYSA-N 0 0 324.424 3.499 20 10 DGCDRN CC(C)Oc1ccc(N(C)CC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000759933006 621903858 /nfs/dbraw/zinc/90/38/58/621903858.db2.gz HQNBZSAULNOQJT-HZPDHXFCSA-N 0 0 318.461 3.415 20 10 DGCDRN CCN1C(=O)CCc2cc(NC(=O)C3=CC(=O)CS3)ccc21 ZINC000760451267 621941361 /nfs/dbraw/zinc/94/13/61/621941361.db2.gz OGTYFDWOERLSLL-UHFFFAOYSA-N 0 0 316.382 3.005 20 10 DGCDRN CCO[C@H](CC(=O)NCc1ccc(N(C)C)cc1C)C(C)C ZINC000760544078 621949779 /nfs/dbraw/zinc/94/97/79/621949779.db2.gz ARTOTYIWIGCYLS-QGZVFWFLSA-N 0 0 306.450 3.128 20 10 DGCDRN Cc1ccc(C)c(CN(C)C(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000760547227 621950220 /nfs/dbraw/zinc/95/02/20/621950220.db2.gz CXEBYHQSRUMGAD-VQHVLOKHSA-N 0 0 311.381 3.386 20 10 DGCDRN Cc1cccc2c1CN(C(=O)/C=C\c1ccc(O)c(O)c1)CC2 ZINC000760671128 621957090 /nfs/dbraw/zinc/95/70/90/621957090.db2.gz YDQKNJRDEOFVLC-VURMDHGXSA-N 0 0 309.365 3.004 20 10 DGCDRN COC(=O)[C@H](NCc1cc(C)c(C)cc1O)c1cccs1 ZINC000789573681 625527780 /nfs/dbraw/zinc/52/77/80/625527780.db2.gz YZPORYIYFDGLEM-OAHLLOKOSA-N 0 0 305.399 3.074 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)c2ccc[nH]2)c(C)n1-c1ccccn1 ZINC000760956667 621976545 /nfs/dbraw/zinc/97/65/45/621976545.db2.gz GTQSZONBPRKSAK-ZDUSSCGKSA-N 0 0 308.385 3.308 20 10 DGCDRN CCN(CCC1CC1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000760992166 621978318 /nfs/dbraw/zinc/97/83/18/621978318.db2.gz QYGQYKPJQGNDSL-UHFFFAOYSA-N 0 0 307.413 3.223 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[C@H](O)C(F)(F)F ZINC000865711828 621981653 /nfs/dbraw/zinc/98/16/53/621981653.db2.gz RNWKCTLATMRRRI-FWOIEVBISA-N 0 0 318.122 3.100 20 10 DGCDRN [O-]c1c(Br)cccc1C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000865753693 621988660 /nfs/dbraw/zinc/98/86/60/621988660.db2.gz PKYXYKYHLXRPOB-VXNVDRBHSA-N 0 0 310.113 3.195 20 10 DGCDRN CCOc1ccc(CN(C)c2ccc(OC)c(OC)c2)c(O)c1 ZINC000761220439 621995364 /nfs/dbraw/zinc/99/53/64/621995364.db2.gz CUOVUZWSGHOJFY-UHFFFAOYSA-N 0 0 317.385 3.445 20 10 DGCDRN COc1ccc(N(C)Cc2ccc3c(c2)ncn3C)cc1OC ZINC000761221379 621995415 /nfs/dbraw/zinc/99/54/15/621995415.db2.gz JSHJYFZKRSYUIU-UHFFFAOYSA-N 0 0 311.385 3.227 20 10 DGCDRN CC[C@@H]1C(=O)N([C@H](C)c2ccc(N(C)C)cc2)C(=O)N1C1CC1 ZINC000761576170 622018455 /nfs/dbraw/zinc/01/84/55/622018455.db2.gz ASKWYIIUQCXKMA-MLGOLLRUSA-N 0 0 315.417 3.019 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC2(C3CC3)CC2)cc1 ZINC000761636059 622021852 /nfs/dbraw/zinc/02/18/52/622021852.db2.gz DEYDSVXVNBWTIZ-UHFFFAOYSA-N 0 0 301.434 3.275 20 10 DGCDRN O=C(CCCc1cc(F)ccc1F)NCc1ccccc1O ZINC000761957624 622041188 /nfs/dbraw/zinc/04/11/88/622041188.db2.gz SZZLHEDSYFURSG-UHFFFAOYSA-N 0 0 305.324 3.310 20 10 DGCDRN CC(C)(C)OC(=O)c1ccc(N2Cc3cccc(O)c3C2)nc1 ZINC000866117244 622048704 /nfs/dbraw/zinc/04/87/04/622048704.db2.gz JARZPDYKFUAWDS-UHFFFAOYSA-N 0 0 312.369 3.263 20 10 DGCDRN C[C@H](NC(=O)C1Cc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000762276117 622067180 /nfs/dbraw/zinc/06/71/80/622067180.db2.gz KJSIKNURAPMADT-AWEZNQCLSA-N 0 0 308.425 3.345 20 10 DGCDRN CCC[C@@H](O)CNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000762423269 622074485 /nfs/dbraw/zinc/07/44/85/622074485.db2.gz IBJVSCQZGUQOLQ-MRXNPFEDSA-N 0 0 314.429 3.293 20 10 DGCDRN CN(C)c1ccc(CN[C@H]2c3ccccc3OC[C@H]2F)cc1F ZINC000866247991 622075380 /nfs/dbraw/zinc/07/53/80/622075380.db2.gz IWBCCIRSNACPTB-QAPCUYQASA-N 0 0 318.367 3.453 20 10 DGCDRN CC(=O)CCCCOC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000762852372 622105828 /nfs/dbraw/zinc/10/58/28/622105828.db2.gz JMHOCJXDGCOKJM-UHFFFAOYSA-N 0 0 314.385 3.405 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC[C@H]2CCCS2)c1 ZINC000866481746 622125237 /nfs/dbraw/zinc/12/52/37/622125237.db2.gz VRJZTGYQKAGQTK-WCQYABFASA-N 0 0 309.431 3.115 20 10 DGCDRN C/C=C\C[C@@H](NCc1cc(Cl)cc(C)c1O)C(=O)OCC ZINC000763361411 622140657 /nfs/dbraw/zinc/14/06/57/622140657.db2.gz KILOWADIHMOZLM-KXQLTZBTSA-N 0 0 311.809 3.342 20 10 DGCDRN CO[C@]1(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])CCOC1 ZINC000763575589 622152988 /nfs/dbraw/zinc/15/29/88/622152988.db2.gz YJFVLWSWOQXUAN-XPTSAGLGSA-N 0 0 320.216 3.155 20 10 DGCDRN COc1ccc(N(C[C@H]2CC3(CC3)C(=O)O2)[C@@H](C)C2CC2)cc1 ZINC000763730425 622160037 /nfs/dbraw/zinc/16/00/37/622160037.db2.gz RXCWKAKGLNVZKM-SUMWQHHRSA-N 0 0 315.413 3.396 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC(=O)[C@H](C)C2)cc1 ZINC000763926532 622169267 /nfs/dbraw/zinc/16/92/67/622169267.db2.gz SOFHBDLLOCNCTP-GDBMZVCRSA-N 0 0 316.445 3.154 20 10 DGCDRN Cc1ccc(C(=O)OCc2ccn(C3CCCC3)n2)c(O)c1O ZINC000763954915 622171045 /nfs/dbraw/zinc/17/10/45/622171045.db2.gz KHFURYQCOOFFRZ-UHFFFAOYSA-N 0 0 316.357 3.075 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2cc(O)ccc2Cl)cc1 ZINC000763998017 622173953 /nfs/dbraw/zinc/17/39/53/622173953.db2.gz RXSGLBGZPSSRMO-UHFFFAOYSA-N 0 0 318.804 3.384 20 10 DGCDRN COc1ccc(N(C)CC(=O)Nc2cccc(F)c2)cc1F ZINC000121738671 622176746 /nfs/dbraw/zinc/17/67/46/622176746.db2.gz XZSZCVDYUFCVMV-UHFFFAOYSA-N 0 0 306.312 3.048 20 10 DGCDRN Cc1ccc(CS(=O)(=O)N[C@H](C)c2ccccc2O)cc1F ZINC000867834844 622187522 /nfs/dbraw/zinc/18/75/22/622187522.db2.gz PMAUKZFYAKQLMC-GFCCVEGCSA-N 0 0 323.389 3.020 20 10 DGCDRN Cc1ccc(CS(=O)(=O)N[C@H](C)c2ccccc2O)cc1C ZINC000867833851 622187559 /nfs/dbraw/zinc/18/75/59/622187559.db2.gz CCYNLYVVACFWFU-CQSZACIVSA-N 0 0 319.426 3.190 20 10 DGCDRN Cn1nc(C2CCCCC2)cc1NC(=O)C1=CC(=O)CS1 ZINC000764348794 622189182 /nfs/dbraw/zinc/18/91/82/622189182.db2.gz YKNRMLQPFIQLEG-UHFFFAOYSA-N 0 0 305.403 3.487 20 10 DGCDRN COc1ccc(CNC(=O)c2nc(C(C)(C)C)cs2)c(O)c1 ZINC000867956228 622197413 /nfs/dbraw/zinc/19/74/13/622197413.db2.gz OROWTLXSSMJZSS-UHFFFAOYSA-N 0 0 320.414 3.085 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CCC=C(F)C2)cc1 ZINC000764686535 622213253 /nfs/dbraw/zinc/21/32/53/622213253.db2.gz VQVZBGRUBOJSST-UHFFFAOYSA-N 0 0 305.397 3.302 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H](C)O[C@@H]1C ZINC000868110085 622215304 /nfs/dbraw/zinc/21/53/04/622215304.db2.gz SBFMZYCKHMUFOT-SQWLQELKSA-N 0 0 305.418 3.334 20 10 DGCDRN Cc1ccccc1OCCNC(=O)N[C@@H](C)c1ccccc1O ZINC000868125735 622216501 /nfs/dbraw/zinc/21/65/01/622216501.db2.gz HMGKDJGFLXPRFA-AWEZNQCLSA-N 0 0 314.385 3.140 20 10 DGCDRN Cc1nc(C)c(CNC(=O)N[C@H](C)c2ccccc2O)s1 ZINC000868313333 622233515 /nfs/dbraw/zinc/23/35/15/622233515.db2.gz JQSPWBFZQDJESW-SECBINFHSA-N 0 0 305.403 3.026 20 10 DGCDRN Cc1cc(C)nc(NCc2cccc(Br)c2O)n1 ZINC000764935558 622233823 /nfs/dbraw/zinc/23/38/23/622233823.db2.gz WWQHSSDLSZTFIN-UHFFFAOYSA-N 0 0 308.179 3.174 20 10 DGCDRN CCO[C@H](CCNC(=O)N[C@H](C)c1ccccc1O)C(C)C ZINC000868328501 622235332 /nfs/dbraw/zinc/23/53/32/622235332.db2.gz HEFKWUYKDDRPGW-CZUORRHYSA-N 0 0 308.422 3.204 20 10 DGCDRN CCO[C@@H](CCNC(=O)N[C@@H](C)c1ccccc1O)C(C)C ZINC000868328499 622235341 /nfs/dbraw/zinc/23/53/41/622235341.db2.gz HEFKWUYKDDRPGW-BBRMVZONSA-N 0 0 308.422 3.204 20 10 DGCDRN C[C@H](NC(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1ccccc1O ZINC000868423340 622242803 /nfs/dbraw/zinc/24/28/03/622242803.db2.gz ZHIMRDAQXKACAE-CTSOBWNQSA-N 0 0 322.408 3.338 20 10 DGCDRN C[C@H](NC(=O)N1CCC(C)(F)CC1)c1ccc(N(C)C)cc1 ZINC000868514842 622252777 /nfs/dbraw/zinc/25/27/77/622252777.db2.gz FCEWMBLCOOBMDM-ZDUSSCGKSA-N 0 0 307.413 3.347 20 10 DGCDRN CO[C@@H]1CC[C@H](C)N(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000868515928 622253052 /nfs/dbraw/zinc/25/30/52/622253052.db2.gz XDEUFTMTXAASBT-GRDNDAEWSA-N 0 0 319.449 3.023 20 10 DGCDRN CC(=O)c1cccc(C(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000765335977 622259696 /nfs/dbraw/zinc/25/96/96/622259696.db2.gz BRGYRKNULBVQLH-UHFFFAOYSA-N 0 0 322.408 3.202 20 10 DGCDRN Cc1cccnc1CCCNC(=O)N[C@H](C)c1ccccc1O ZINC000868670060 622271281 /nfs/dbraw/zinc/27/12/81/622271281.db2.gz CBBXVIMGSRWHKY-CQSZACIVSA-N 0 0 313.401 3.089 20 10 DGCDRN CCc1ncc(CN2CCOc3cc(N(C)C)ccc32)s1 ZINC000765657466 622280302 /nfs/dbraw/zinc/28/03/02/622280302.db2.gz JUSZZJOCRZDAOH-UHFFFAOYSA-N 0 0 303.431 3.171 20 10 DGCDRN C[C@H](NC(=O)N[C@@H](C1CC1)[C@H]1CCCCO1)c1ccccc1O ZINC000868750275 622280530 /nfs/dbraw/zinc/28/05/30/622280530.db2.gz ITHYMCUNPZZAPO-VUCTXSBTSA-N 0 0 318.417 3.100 20 10 DGCDRN CSCC1(CCNC(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC000868768653 622282633 /nfs/dbraw/zinc/28/26/33/622282633.db2.gz VYDCYEQGLVPUOI-LBPRGKRZSA-N 0 0 308.447 3.286 20 10 DGCDRN C[C@@H](NC(=O)NCCC1(F)CCC1)c1ccc(N(C)C)cc1 ZINC000805310396 622282941 /nfs/dbraw/zinc/28/29/41/622282941.db2.gz SCGMYIFUNRCTRG-CYBMUJFWSA-N 0 0 307.413 3.395 20 10 DGCDRN C/C(=C/C(=O)NCc1cccc(Br)c1O)C1CC1 ZINC000765732053 622284920 /nfs/dbraw/zinc/28/49/20/622284920.db2.gz OVVIZTZYHLPJNK-CLFYSBASSA-N 0 0 310.191 3.127 20 10 DGCDRN CO[C@H](CNC(=O)N[C@H](C)c1ccccc1O)C1CCCCC1 ZINC000868788803 622285553 /nfs/dbraw/zinc/28/55/53/622285553.db2.gz XVGSFCFWTKRBCW-CXAGYDPISA-N 0 0 320.433 3.348 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccsc1)c1ccccc1O ZINC000868812360 622288354 /nfs/dbraw/zinc/28/83/54/622288354.db2.gz BEBNRAXTQTUMAS-LEWSCRJBSA-N 0 0 302.399 3.370 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCCCC2CC2)c1 ZINC000869055564 622314287 /nfs/dbraw/zinc/31/42/87/622314287.db2.gz TXECQQDJLQZIGW-GFCCVEGCSA-N 0 0 306.406 3.341 20 10 DGCDRN COc1ccc2c(c1)CCCCN2Cc1cccc(C(N)=O)c1 ZINC000766267967 622316165 /nfs/dbraw/zinc/31/61/65/622316165.db2.gz DOPWFGAHVMKGBL-UHFFFAOYSA-N 0 0 310.397 3.137 20 10 DGCDRN Cc1cc(C)cc(OCC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000017370693 622322155 /nfs/dbraw/zinc/32/21/55/622322155.db2.gz XZWKSZFKDMOPGW-UHFFFAOYSA-N 0 0 312.413 3.065 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3C(C)(C)C)C2)cc1 ZINC000869227679 622331903 /nfs/dbraw/zinc/33/19/03/622331903.db2.gz BMDBQBHGZSYUTP-KBRIMQKVSA-N 0 0 316.445 3.072 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2c(F)ccc(C)c2F)c1 ZINC000767087170 622374512 /nfs/dbraw/zinc/37/45/12/622374512.db2.gz HVRDSTPZURHNKZ-JTQLQIEISA-N 0 0 321.323 3.478 20 10 DGCDRN CC1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1c1ccco1 ZINC000869788462 622402703 /nfs/dbraw/zinc/40/27/03/622402703.db2.gz QRUMZISYJOSLMX-DBWMJRBXSA-N 0 0 313.353 3.314 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000789768422 625563996 /nfs/dbraw/zinc/56/39/96/625563996.db2.gz GZJKQVKQHLORRT-CQSZACIVSA-N 0 0 322.767 3.233 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[N@H+](C)CCCCCO)c1 ZINC000789763662 625564163 /nfs/dbraw/zinc/56/41/63/625564163.db2.gz OUCPTFPPGGMDAW-UHFFFAOYSA-N 0 0 316.239 3.058 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCc3cccc(F)c3C2)c1O ZINC000767776826 622421465 /nfs/dbraw/zinc/42/14/65/622421465.db2.gz XXKONEORIXKHPY-UHFFFAOYSA-N 0 0 317.335 3.431 20 10 DGCDRN CN(C)c1ccc(CN(C)Cc2cn3cccc(F)c3n2)cc1 ZINC000768129013 622440257 /nfs/dbraw/zinc/44/02/57/622440257.db2.gz CTZSKLOKWDAZGP-UHFFFAOYSA-N 0 0 312.392 3.171 20 10 DGCDRN CN(C)c1ccc(CN2CCO[C@H](c3ccccc3)C2)cc1F ZINC000768235641 622447055 /nfs/dbraw/zinc/44/70/55/622447055.db2.gz BULGCCHBJGPPKX-IBGZPJMESA-N 0 0 314.404 3.465 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)CC(F)(F)F)c1 ZINC000768270424 622448192 /nfs/dbraw/zinc/44/81/92/622448192.db2.gz AIGQPTHREQAEIN-IUCAKERBSA-N 0 0 305.296 3.170 20 10 DGCDRN Cc1ccc(F)c(CN(C)C(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000768347746 622451237 /nfs/dbraw/zinc/45/12/37/622451237.db2.gz ZQYLURLMBIMQKZ-VMPITWQZSA-N 0 0 315.344 3.217 20 10 DGCDRN C[C@@H]1Cc2ccccc2N(Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768463290 622458069 /nfs/dbraw/zinc/45/80/69/622458069.db2.gz QZQPLHXKPVMWBL-XIKOKIGWSA-N 0 0 311.381 3.017 20 10 DGCDRN C[C@]1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCO[C@@H]1C1CC1 ZINC000768540591 622463406 /nfs/dbraw/zinc/46/34/06/622463406.db2.gz JMOJNWIXWOTSSZ-HZPDHXFCSA-N 0 0 313.800 3.480 20 10 DGCDRN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)C1=CC(=O)CS1 ZINC000768728419 622473144 /nfs/dbraw/zinc/47/31/44/622473144.db2.gz FLIQYVBGCCKZID-SECBINFHSA-N 0 0 307.419 3.205 20 10 DGCDRN CC1(C)CC[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000768733721 622473258 /nfs/dbraw/zinc/47/32/58/622473258.db2.gz XVUZUZYWAQUENM-INIZCTEOSA-N 0 0 313.445 3.441 20 10 DGCDRN CCOc1cccc(CN(C)Cc2csc(CC)n2)c1O ZINC000769120353 622500208 /nfs/dbraw/zinc/50/02/08/622500208.db2.gz LPEDYAQQPRAART-UHFFFAOYSA-N 0 0 306.431 3.442 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CC3CCC2CC3)c1 ZINC000769189161 622506523 /nfs/dbraw/zinc/50/65/23/622506523.db2.gz SZZCQVSLBBOIRF-OCLKLICZSA-N 0 0 318.417 3.340 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cccc2[nH]ncc21 ZINC000769289116 622514014 /nfs/dbraw/zinc/51/40/14/622514014.db2.gz DIFUPSBBUPFLIQ-UHFFFAOYSA-N 0 0 309.369 3.321 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H](F)c2ccccc2)cc1 ZINC000769354703 622520041 /nfs/dbraw/zinc/52/00/41/622520041.db2.gz NNAXHGJBUSLOIB-KRWDZBQOSA-N 0 0 300.377 3.422 20 10 DGCDRN O=C(/C=C/c1ccnc2ccccc12)NCc1ccccc1O ZINC000769365684 622520744 /nfs/dbraw/zinc/52/07/44/622520744.db2.gz RFJRVKWCEGRURC-MDZDMXLPSA-N 0 0 304.349 3.270 20 10 DGCDRN O=C(NCc1ccccc1O)c1c2c(nc3ccccc31)CCC2 ZINC000769366173 622520929 /nfs/dbraw/zinc/52/09/29/622520929.db2.gz UQXFDTMKEBJSKC-UHFFFAOYSA-N 0 0 318.376 3.359 20 10 DGCDRN Cc1nc(C(=O)N(Cc2ccccc2O)C2CCCCC2)no1 ZINC000123410605 622529623 /nfs/dbraw/zinc/52/96/23/622529623.db2.gz YVOQRGIODCDKIJ-UHFFFAOYSA-N 0 0 315.373 3.059 20 10 DGCDRN CCN(CC)c1ccc(CN2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000769466389 622529966 /nfs/dbraw/zinc/52/99/66/622529966.db2.gz MSMUIYBWJSRGHK-HNNXBMFYSA-N 0 0 316.367 3.296 20 10 DGCDRN CO[C@H](C)C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)C ZINC000769471678 622530565 /nfs/dbraw/zinc/53/05/65/622530565.db2.gz AXMOLLBFONOXHK-SNVBAGLBSA-N 0 0 316.785 3.199 20 10 DGCDRN C[C@H]1CN(Cc2c(O)cccc2Cl)C[C@@H](C(F)(F)F)O1 ZINC000769495449 622533949 /nfs/dbraw/zinc/53/39/49/622533949.db2.gz FTMWOYNESIEADB-UFBFGSQYSA-N 0 0 309.715 3.197 20 10 DGCDRN COc1cccc(CNC(=O)Cc2cc3ccccc3o2)c1O ZINC000769502984 622534855 /nfs/dbraw/zinc/53/48/55/622534855.db2.gz DQGZETOXIYMIFV-UHFFFAOYSA-N 0 0 311.337 3.006 20 10 DGCDRN COc1cccc(O)c1CN1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000769514406 622536866 /nfs/dbraw/zinc/53/68/66/622536866.db2.gz LYDOOKOLZRLEST-YVEFUNNKSA-N 0 0 319.426 3.424 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](F)c2ccccc2)c1 ZINC000769608288 622544087 /nfs/dbraw/zinc/54/40/87/622544087.db2.gz UVCBMOJVTPYJBQ-BZNIZROVSA-N 0 0 303.333 3.289 20 10 DGCDRN C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1O)NC(=O)OC(C)(C)C ZINC000769686883 622549423 /nfs/dbraw/zinc/54/94/23/622549423.db2.gz KFXXZXAAMXTIAA-STQMWFEESA-N 0 0 308.422 3.174 20 10 DGCDRN CCO[C@H](C)c1ncc(C(=O)N2Cc3cccc(O)c3C2)s1 ZINC000871203090 622567114 /nfs/dbraw/zinc/56/71/14/622567114.db2.gz RUGCYKWWKGNRGS-SNVBAGLBSA-N 0 0 318.398 3.102 20 10 DGCDRN Cc1nc(CC2CC2)sc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871203605 622567299 /nfs/dbraw/zinc/56/72/99/622567299.db2.gz DDDXGYWBEJZNLR-UHFFFAOYSA-N 0 0 314.410 3.266 20 10 DGCDRN CC1(C)COc2c1cccc2C(=O)N1Cc2cccc(O)c2C1 ZINC000871203795 622567366 /nfs/dbraw/zinc/56/73/66/622567366.db2.gz HEZSSFHMCVHUDQ-UHFFFAOYSA-N 0 0 309.365 3.218 20 10 DGCDRN Cc1nc(CCCC(=O)N2Cc3cccc(O)c3C2)cs1 ZINC000871204362 622567797 /nfs/dbraw/zinc/56/77/97/622567797.db2.gz YVSXKVKGCCOGQP-UHFFFAOYSA-N 0 0 302.399 3.022 20 10 DGCDRN C[C@]1(CC(=O)N2Cc3cccc(O)c3C2)CC1(Cl)Cl ZINC000871206209 622568046 /nfs/dbraw/zinc/56/80/46/622568046.db2.gz WDABLGIZYTULMY-ZDUSSCGKSA-N 0 0 300.185 3.208 20 10 DGCDRN C[C@@H](CC(=O)N1Cc2cccc(O)c2C1)N1CCc2ccccc21 ZINC000871205593 622568158 /nfs/dbraw/zinc/56/81/58/622568158.db2.gz HUOVJPKJSABNLQ-AWEZNQCLSA-N 0 0 322.408 3.076 20 10 DGCDRN Cc1ccc(CO[C@@H](C)C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871207150 622568787 /nfs/dbraw/zinc/56/87/87/622568787.db2.gz KKJRBPYFSQEBAA-AWEZNQCLSA-N 0 0 311.381 3.148 20 10 DGCDRN CCN(Cc1ccccc1)c1ccc(C[NH2+]CCC(=O)[O-])cc1 ZINC000789898044 625577865 /nfs/dbraw/zinc/57/78/65/625577865.db2.gz BMNGCPGYUVFURZ-UHFFFAOYSA-N 0 0 312.413 3.277 20 10 DGCDRN COc1cccc(NCc2ccc(N3CCOCC3)cc2)c1F ZINC000769928842 622577712 /nfs/dbraw/zinc/57/77/12/622577712.db2.gz BXAFPCVJQDPCQJ-UHFFFAOYSA-N 0 0 316.376 3.283 20 10 DGCDRN CCC(CC)(CNC(=O)c1cccc(O)c1O)C(F)(F)F ZINC000871263635 622581657 /nfs/dbraw/zinc/58/16/57/622581657.db2.gz WUZCSDFICDESLT-UHFFFAOYSA-N 0 0 305.296 3.196 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2nccs2)cc1 ZINC000770104165 622602099 /nfs/dbraw/zinc/60/20/99/622602099.db2.gz IIHKTVUVLWYISL-UHFFFAOYSA-N 0 0 303.431 3.262 20 10 DGCDRN CSc1cncc(N(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000770113562 622602527 /nfs/dbraw/zinc/60/25/27/622602527.db2.gz SPJQYSPVJHRYLW-UHFFFAOYSA-N 0 0 314.458 3.434 20 10 DGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1nccs1 ZINC000770301993 622619767 /nfs/dbraw/zinc/61/97/67/622619767.db2.gz YJRJMLZYHKWFGC-UHFFFAOYSA-N 0 0 301.415 3.063 20 10 DGCDRN CCOC(=O)CN(Cc1ccc(C)cc1)Cc1ccccc1O ZINC000770510015 622640358 /nfs/dbraw/zinc/64/03/58/622640358.db2.gz HADILBHAIIZAOJ-UHFFFAOYSA-N 0 0 313.397 3.266 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CSc2ccccc2F)cc1 ZINC000019047591 622644292 /nfs/dbraw/zinc/64/42/92/622644292.db2.gz OUEAWDNHLNTNTF-UHFFFAOYSA-N 0 0 318.417 3.300 20 10 DGCDRN O=C(c1c(F)ccc(O)c1O)N1CCC(c2ccccc2)CC1 ZINC000789953641 625586721 /nfs/dbraw/zinc/58/67/21/625586721.db2.gz XATJBSOBHXNEJK-UHFFFAOYSA-N 0 0 315.344 3.257 20 10 DGCDRN CC(C)Nc1ccccc1NCC(=O)NCc1cccs1 ZINC000871847882 622715090 /nfs/dbraw/zinc/71/50/90/622715090.db2.gz ZAKVDJUXBRXPAC-UHFFFAOYSA-N 0 0 303.431 3.297 20 10 DGCDRN CC(C)Nc1ccccc1NCC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000871847847 622715394 /nfs/dbraw/zinc/71/53/94/622715394.db2.gz XXPWSKXXZGYFRX-GJZGRUSLSA-N 0 0 303.450 3.423 20 10 DGCDRN Cc1cc(C)cc([C@@H](C)NC(=O)c2c(F)ccc(O)c2O)c1 ZINC000789974390 625589774 /nfs/dbraw/zinc/58/97/74/625589774.db2.gz YOQRJXWTXJOGIV-LLVKDONJSA-N 0 0 303.333 3.345 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc(O)c(O)c2)c(F)c1Cl ZINC000789996909 625591756 /nfs/dbraw/zinc/59/17/56/625591756.db2.gz WOQKILHIRPWHQP-UHFFFAOYSA-N 0 0 309.724 3.129 20 10 DGCDRN COc1ccc(N2CCN(C(=O)/C(C)=C/C(C)(C)C)CC2)cc1 ZINC000771869209 622807066 /nfs/dbraw/zinc/80/70/66/622807066.db2.gz VIHGLUHWIOQSRV-CCEZHUSRSA-N 0 0 316.445 3.336 20 10 DGCDRN CC[C@H]([NH2+]CCC[C@@H]1CCOC1=O)c1cccc(Cl)c1[O-] ZINC000872112336 622813631 /nfs/dbraw/zinc/81/36/31/622813631.db2.gz JCHTWLFMBCFYCX-RISCZKNCSA-N 0 0 311.809 3.430 20 10 DGCDRN Cc1ccc(C(=O)Nc2cnn(C)c2-c2ccccc2)c(O)c1O ZINC000805457079 622848668 /nfs/dbraw/zinc/84/86/68/622848668.db2.gz QTVWMYADLOMXHK-UHFFFAOYSA-N 0 0 323.352 3.059 20 10 DGCDRN Cc1cc(Br)cc(C=C2SC(=S)NC2=O)c1 ZINC000772175975 622861785 /nfs/dbraw/zinc/86/17/85/622861785.db2.gz IMIKPHQZMBFHQB-UITAMQMPSA-N 0 0 314.229 3.246 20 10 DGCDRN COc1ccc2c(c1)CCN2Cc1ccc(C(=O)NC2CC2)cc1 ZINC000772600807 622917647 /nfs/dbraw/zinc/91/76/47/622917647.db2.gz ZJBMCCDLCVWTJA-UHFFFAOYSA-N 0 0 322.408 3.150 20 10 DGCDRN C[C@H](c1ccco1)N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000124127894 622931296 /nfs/dbraw/zinc/93/12/96/622931296.db2.gz ZYPGTGUOCQVSGA-CYBMUJFWSA-N 0 0 301.390 3.248 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@]2(C)CCCOC2)cc1 ZINC000772901989 622952509 /nfs/dbraw/zinc/95/25/09/622952509.db2.gz GVLLTSFHCBADFD-LJQANCHMSA-N 0 0 312.413 3.393 20 10 DGCDRN CC(C)c1ocnc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000772996334 622963359 /nfs/dbraw/zinc/96/33/59/622963359.db2.gz DBJIVTCTALVRQL-GFCCVEGCSA-N 0 0 301.390 3.355 20 10 DGCDRN CCc1ncc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000773007791 622965395 /nfs/dbraw/zinc/96/53/95/622965395.db2.gz KHZSIAQYSBDTOA-NSHDSACASA-N 0 0 303.431 3.263 20 10 DGCDRN COc1cccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1F ZINC000773011090 622965752 /nfs/dbraw/zinc/96/57/52/622965752.db2.gz VYUNAXHMZWWWCB-GFCCVEGCSA-N 0 0 316.376 3.391 20 10 DGCDRN C[C@H](NC(=O)c1cc(Cl)cn1C)c1ccc(N(C)C)cc1 ZINC000773011206 622966413 /nfs/dbraw/zinc/96/64/13/622966413.db2.gz DKQBJLGUCHTJDC-NSHDSACASA-N 0 0 305.809 3.236 20 10 DGCDRN C[C@H](NC(=O)CCC1CCOCC1)c1ccc(N(C)C)cc1 ZINC000773016375 622968380 /nfs/dbraw/zinc/96/83/80/622968380.db2.gz CIHSQBCOLPAMPN-AWEZNQCLSA-N 0 0 304.434 3.137 20 10 DGCDRN CCc1noc(C)c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773021853 622968961 /nfs/dbraw/zinc/96/89/61/622968961.db2.gz ULQPJHBDOZSUBI-NSHDSACASA-N 0 0 301.390 3.102 20 10 DGCDRN C[C@H](NC(=O)CCc1nccs1)c1ccc(N(C)C)cc1 ZINC000773022574 622969400 /nfs/dbraw/zinc/96/94/00/622969400.db2.gz VSXNFOGTGKWLFQ-LBPRGKRZSA-N 0 0 303.431 3.019 20 10 DGCDRN CSc1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)ccn1 ZINC000773027369 622970315 /nfs/dbraw/zinc/97/03/15/622970315.db2.gz VFCDCANVWIEDTI-GFCCVEGCSA-N 0 0 315.442 3.361 20 10 DGCDRN CCC[C@H](C)CS(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773087194 622981023 /nfs/dbraw/zinc/98/10/23/622981023.db2.gz GYEGWNPEGCMEGA-KBPBESRZSA-N 0 0 312.479 3.169 20 10 DGCDRN CO[C@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(C)(C)C ZINC000773348679 623015812 /nfs/dbraw/zinc/01/58/12/623015812.db2.gz XTTDWAGQIYCROX-XJKSGUPXSA-N 0 0 321.465 3.174 20 10 DGCDRN CCCOc1ccc(CN[C@H](C(N)=O)c2ccccc2)cc1C ZINC000873010087 623016765 /nfs/dbraw/zinc/01/67/65/623016765.db2.gz ABHGHHSUAMUFBV-SFHVURJKSA-N 0 0 312.413 3.100 20 10 DGCDRN C[C@@H](NC(=O)NCc1cccc(O)c1)c1ccc(N(C)C)cc1 ZINC000773364641 623018177 /nfs/dbraw/zinc/01/81/77/623018177.db2.gz RSOYTCWIOBKGEJ-CYBMUJFWSA-N 0 0 313.401 3.019 20 10 DGCDRN CS[C@H](C)CCC(=O)NCCCSc1nccs1 ZINC000773382968 623019458 /nfs/dbraw/zinc/01/94/58/623019458.db2.gz MEEBEDZPPIHEDB-SNVBAGLBSA-N 0 0 304.506 3.273 20 10 DGCDRN C[C@@H](NC(=O)N[C@H]1CCC(F)(F)C1)c1ccc(N(C)C)cc1 ZINC000773393512 623022115 /nfs/dbraw/zinc/02/21/15/623022115.db2.gz WWYYZWGASMJJIU-YPMHNXCESA-N 0 0 311.376 3.301 20 10 DGCDRN CCCOc1ccc(CN[C@H](C)c2nnc(CC)[nH]2)cc1C ZINC000873097222 623036318 /nfs/dbraw/zinc/03/63/18/623036318.db2.gz KJORQRMTRGDYAR-CYBMUJFWSA-N 0 0 302.422 3.315 20 10 DGCDRN CCCOc1ccc(CN[C@@H]2C[C@@H](C)n3ncnc32)cc1C ZINC000873135535 623045860 /nfs/dbraw/zinc/04/58/60/623045860.db2.gz YKJBRCQSFHVJQH-UKRRQHHQSA-N 0 0 300.406 3.171 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cncc2ccccc21 ZINC000773744375 623066534 /nfs/dbraw/zinc/06/65/34/623066534.db2.gz ALKUPJFNVDNTTI-GFCCVEGCSA-N 0 0 322.364 3.007 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1sccc1C1CC1 ZINC000773747625 623066675 /nfs/dbraw/zinc/06/66/75/623066675.db2.gz CEHDOTKSBFVNIE-SNVBAGLBSA-N 0 0 317.410 3.398 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2occc2s1 ZINC000773763183 623070025 /nfs/dbraw/zinc/07/00/25/623070025.db2.gz MGXHLBMHUZHGCS-VIFPVBQESA-N 0 0 317.366 3.267 20 10 DGCDRN Cc1ncc(/C=C/C(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000773990679 623097685 /nfs/dbraw/zinc/09/76/85/623097685.db2.gz WGCZPKVYECJCSA-BZYZDCJZSA-N 0 0 315.442 3.408 20 10 DGCDRN CC[S@](=O)CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774181035 623116942 /nfs/dbraw/zinc/11/69/42/623116942.db2.gz DPCBIJGKXHQPQR-ASCAZGACSA-N 0 0 310.246 3.118 20 10 DGCDRN COCCOC[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774254830 623124931 /nfs/dbraw/zinc/12/49/31/623124931.db2.gz RDVSQGHNURNERI-ZJUUUORDSA-N 0 0 322.232 3.401 20 10 DGCDRN C[C@H]([NH2+]CCCn1cncn1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774300270 623128766 /nfs/dbraw/zinc/12/87/66/623128766.db2.gz ZHOYWOFQJMPYPR-VIFPVBQESA-N 0 0 315.204 3.031 20 10 DGCDRN CO[C@@]1(C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])CCOC1 ZINC000774359430 623136382 /nfs/dbraw/zinc/13/63/82/623136382.db2.gz PLQGXMBIXLBHHL-YMTOWFKASA-N 0 0 320.216 3.155 20 10 DGCDRN COCc1ccc(N[C@H](C)c2cc(C(=O)OC)ccc2O)cc1 ZINC000774483620 623151275 /nfs/dbraw/zinc/15/12/75/623151275.db2.gz GVBCMVPWKPVXQC-GFCCVEGCSA-N 0 0 315.369 3.498 20 10 DGCDRN Cc1cc(N[C@@H](C)c2cc(F)ccc2O)cc(OCCO)c1 ZINC000774509328 623153374 /nfs/dbraw/zinc/15/33/74/623153374.db2.gz OIDVIHBCRJXJFS-LBPRGKRZSA-N 0 0 305.349 3.384 20 10 DGCDRN CCOC(=O)c1cnc2ccccc2c1NCc1ccccc1O ZINC000774523070 623156028 /nfs/dbraw/zinc/15/60/28/623156028.db2.gz DRUXNPLIMDWHKQ-UHFFFAOYSA-N 0 0 322.364 3.151 20 10 DGCDRN CC[C@@H](CSC)NC(=O)NCc1ccc(N(C)C)cc1C ZINC000774785896 623190929 /nfs/dbraw/zinc/19/09/29/623190929.db2.gz YMXKFAJYOCTLMZ-AWEZNQCLSA-N 0 0 309.479 3.002 20 10 DGCDRN COc1c([O-])c(C[N@H+](C)CC2CCCCC2)ccc1[N+](=O)[O-] ZINC000774827064 623197522 /nfs/dbraw/zinc/19/75/22/623197522.db2.gz NFWDYEDQLKFILL-UHFFFAOYSA-N 0 0 308.378 3.321 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CCC[C@H]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000774854622 623200399 /nfs/dbraw/zinc/20/03/99/623200399.db2.gz YKHCRQDSZKTVPJ-AWEZNQCLSA-N 0 0 320.389 3.464 20 10 DGCDRN COc1c([O-])c(C[NH+]2C3CCCC2CCC3)ccc1[N+](=O)[O-] ZINC000774909377 623207788 /nfs/dbraw/zinc/20/77/88/623207788.db2.gz PRDPSSDYKHLCMO-UHFFFAOYSA-N 0 0 306.362 3.216 20 10 DGCDRN COc1c([O-])c(C[NH2+]Cc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000774941627 623210252 /nfs/dbraw/zinc/21/02/52/623210252.db2.gz BLUVDHJMNWCTRP-UHFFFAOYSA-N 0 0 322.748 3.252 20 10 DGCDRN COc1c([O-])c(C[NH2+]Cc2ccc(F)c(C)c2)ccc1[N+](=O)[O-] ZINC000774963718 623211897 /nfs/dbraw/zinc/21/18/97/623211897.db2.gz FKTDLTUNFHYQBX-UHFFFAOYSA-N 0 0 320.320 3.046 20 10 DGCDRN COc1c([O-])c(C[NH2+]CC2(CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000775032377 623218936 /nfs/dbraw/zinc/21/89/36/623218936.db2.gz HMSWDCUMJKBFOO-UHFFFAOYSA-N 0 0 308.378 3.225 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CC[C@]3(CC[C@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000775054248 623221875 /nfs/dbraw/zinc/22/18/75/623221875.db2.gz MFYKUKOWERIZNS-SJCJKPOMSA-N 0 0 320.389 3.321 20 10 DGCDRN CC[C@H](CC(F)(F)F)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775063295 623224230 /nfs/dbraw/zinc/22/42/30/623224230.db2.gz PMSANFAREZVVSX-SECBINFHSA-N 0 0 322.283 3.130 20 10 DGCDRN CC(C)OC1(C(=O)NCc2ccc(N3CCCC3)cc2)CCC1 ZINC000874001382 623227925 /nfs/dbraw/zinc/22/79/25/623227925.db2.gz DLVLAHWCRTWPAC-UHFFFAOYSA-N 0 0 316.445 3.251 20 10 DGCDRN CCOC(CN1CCCc2cc(OC(F)F)ccc21)OCC ZINC000124813987 623238556 /nfs/dbraw/zinc/23/85/56/623238556.db2.gz ZKAUHRFPDXTXRN-UHFFFAOYSA-N 0 0 315.360 3.440 20 10 DGCDRN C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000124833867 623240281 /nfs/dbraw/zinc/24/02/81/623240281.db2.gz DXZLOSPUMDRPRB-QAPCUYQASA-N 0 0 313.445 3.441 20 10 DGCDRN CCOCCONC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC000775236808 623244178 /nfs/dbraw/zinc/24/41/78/623244178.db2.gz QSLFFIIIFRVUQE-UHFFFAOYSA-N 0 0 316.401 3.100 20 10 DGCDRN CC1(C)CN(C(=O)/C=C/c2cncc(F)c2)c2ccccc2O1 ZINC000124850071 623245377 /nfs/dbraw/zinc/24/53/77/623245377.db2.gz VSXVHPQNUPAKGC-BQYQJAHWSA-N 0 0 312.344 3.438 20 10 DGCDRN Cn1cnc2cc(NCc3ccc4c(c3)CCC(=O)N4C)ccc21 ZINC000775314816 623252394 /nfs/dbraw/zinc/25/23/94/623252394.db2.gz SNECUNNDJGJVKA-UHFFFAOYSA-N 0 0 320.396 3.094 20 10 DGCDRN COc1ccc(OCCCC(=O)Nc2ccc(N)cc2)cc1 ZINC000020327194 623254144 /nfs/dbraw/zinc/25/41/44/623254144.db2.gz LKMKNLBJBDHAIJ-UHFFFAOYSA-N 0 0 300.358 3.075 20 10 DGCDRN CCCCOc1ccc(NCc2cc3c(cc2O)OCO3)cn1 ZINC000775351739 623258850 /nfs/dbraw/zinc/25/88/50/623258850.db2.gz ULIONSVUNOONGZ-UHFFFAOYSA-N 0 0 316.357 3.307 20 10 DGCDRN Cc1ccc(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1O ZINC000775412559 623271829 /nfs/dbraw/zinc/27/18/29/623271829.db2.gz YNNUGTKPDVOOPZ-AWEZNQCLSA-N 0 0 312.413 3.187 20 10 DGCDRN Cc1ccncc1/C=C\C(=O)N1C[C@H](C)Oc2c(F)cccc21 ZINC000775414861 623272642 /nfs/dbraw/zinc/27/26/42/623272642.db2.gz MJOWPTMNMIOFFE-FWWRYZNZSA-N 0 0 312.344 3.356 20 10 DGCDRN COc1ccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000775434560 623274541 /nfs/dbraw/zinc/27/45/41/623274541.db2.gz KGUIPXYVQPWSIE-LBPRGKRZSA-N 0 0 314.389 3.039 20 10 DGCDRN O=C(NCc1ccccc1O)c1ccccc1OC(F)(F)F ZINC000775542669 623286802 /nfs/dbraw/zinc/28/68/02/623286802.db2.gz NOWXNTRXRFCUSE-UHFFFAOYSA-N 0 0 311.259 3.221 20 10 DGCDRN C[C@@H](NC(=O)Nc1ccc2nccn2c1)c1ccc(N(C)C)cc1 ZINC000775637773 623301310 /nfs/dbraw/zinc/30/13/10/623301310.db2.gz XRAWQTSTPKWVRI-CYBMUJFWSA-N 0 0 323.400 3.283 20 10 DGCDRN CCC[N@H+](C)C[C@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775723644 623319727 /nfs/dbraw/zinc/31/97/27/623319727.db2.gz CQZOVLXDWODVHX-GFCCVEGCSA-N 0 0 314.832 3.348 20 10 DGCDRN Oc1c(Cl)cccc1CNc1cccc(-n2ccnn2)c1 ZINC000775749221 623324102 /nfs/dbraw/zinc/32/41/02/623324102.db2.gz FDJQAIYNFZEOAX-UHFFFAOYSA-N 0 0 300.749 3.238 20 10 DGCDRN Cc1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@@H]2C)c(O)c1O ZINC000775939337 623355006 /nfs/dbraw/zinc/35/50/06/623355006.db2.gz DIROUZBWKSXPIU-GXSJLCMTSA-N 0 0 317.307 3.209 20 10 DGCDRN C[C@@H](c1ccccc1)N(Cc1cn(C)nn1)Cc1ccccc1O ZINC000776008386 623363754 /nfs/dbraw/zinc/36/37/54/623363754.db2.gz GWLYKTQURXLLTE-HNNXBMFYSA-N 0 0 322.412 3.284 20 10 DGCDRN Fc1ccc(NC(=S)NCc2ccc(Cl)cn2)c(F)c1 ZINC000776194723 623394361 /nfs/dbraw/zinc/39/43/61/623394361.db2.gz MVBZWKPROSTGMQ-UHFFFAOYSA-N 0 0 313.760 3.500 20 10 DGCDRN CC1(C)[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])[C@H]2CCCO[C@H]21 ZINC000776223537 623399161 /nfs/dbraw/zinc/39/91/61/623399161.db2.gz JJGPEYWKCSFTOZ-KCPJHIHWSA-N 0 0 313.800 3.478 20 10 DGCDRN COCCN(CC(C)C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776239574 623400944 /nfs/dbraw/zinc/40/09/44/623400944.db2.gz UOLPSWFVWUKKRZ-HNNXBMFYSA-N 0 0 321.465 3.128 20 10 DGCDRN CO[C@H](c1ccccc1F)[C@H](C)NC(=O)C1=CC(=O)CS1 ZINC000776251057 623401755 /nfs/dbraw/zinc/40/17/55/623401755.db2.gz OZZMDRGUCGGESY-XPTSAGLGSA-N 0 0 309.362 3.099 20 10 DGCDRN CC(C)[C@@H](NCc1ccc(N(C)C)cc1)C(=O)OC(C)(C)C ZINC000776258611 623402471 /nfs/dbraw/zinc/40/24/71/623402471.db2.gz ZLARTKNXBPJTDH-MRXNPFEDSA-N 0 0 306.450 3.209 20 10 DGCDRN CC(C)COC(=O)CSc1ncc(-c2ccccc2)n1C ZINC000776280170 623407020 /nfs/dbraw/zinc/40/70/20/623407020.db2.gz BUAYXHHNMIIEDT-UHFFFAOYSA-N 0 0 304.415 3.378 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCO[C@@H](C)C1 ZINC000776300977 623408855 /nfs/dbraw/zinc/40/88/55/623408855.db2.gz IZUPQKUSXHHOOI-RDJZCZTQSA-N 0 0 318.461 3.305 20 10 DGCDRN COc1ncc(/C=C/C(=O)N2CCCc3cc(C)cc(C)c32)cn1 ZINC000776322531 623412015 /nfs/dbraw/zinc/41/20/15/623412015.db2.gz ZPWNYBYDSFVQIY-VOTSOKGWSA-N 0 0 323.396 3.095 20 10 DGCDRN C[C@H](O)c1ccc(CNC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000875187703 623425659 /nfs/dbraw/zinc/42/56/59/623425659.db2.gz OPBMZJWBJIVMJA-STQMWFEESA-N 0 0 314.385 3.006 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1CCc2ccccc2C1)c1ccccc1O ZINC000875192298 623425708 /nfs/dbraw/zinc/42/57/08/623425708.db2.gz QKUREHONWMASEU-BBRMVZONSA-N 0 0 310.397 3.310 20 10 DGCDRN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)C1=CC(=O)CS1 ZINC000776495370 623435463 /nfs/dbraw/zinc/43/54/63/623435463.db2.gz ZDXQMMVNRCSPER-LLVKDONJSA-N 0 0 322.817 3.116 20 10 DGCDRN CCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1 ZINC000776586538 623444305 /nfs/dbraw/zinc/44/43/05/623444305.db2.gz FVWUCRUXBFYIEO-KRWDZBQOSA-N 0 0 316.357 3.163 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CCC(F)(F)C2)cc1 ZINC000776613386 623446975 /nfs/dbraw/zinc/44/69/75/623446975.db2.gz OVGJWWCJXWCMPE-UHFFFAOYSA-N 0 0 311.376 3.083 20 10 DGCDRN CC[C@@H](NC(=O)N1Cc2cccc(O)c2C1)c1c(C)noc1C ZINC000875428286 623449463 /nfs/dbraw/zinc/44/94/63/623449463.db2.gz GYCSETTUUNTDFP-CQSZACIVSA-N 0 0 315.373 3.174 20 10 DGCDRN C[C@H](NC(=O)NCC(C)(C)c1ccncc1)c1ccccc1O ZINC000875443875 623451412 /nfs/dbraw/zinc/45/14/12/623451412.db2.gz BVFFFNXJPOPICU-ZDUSSCGKSA-N 0 0 313.401 3.125 20 10 DGCDRN CC(C)C[C@@H]1C[C@@H](NC(=O)N2Cc3cccc(O)c3C2)CCO1 ZINC000875462671 623452913 /nfs/dbraw/zinc/45/29/13/623452913.db2.gz XNCIZYLMVZZZCB-LSDHHAIUSA-N 0 0 318.417 3.011 20 10 DGCDRN O=C(N[C@H]1C[C@H](c2ccccc2)C1)N1Cc2cccc(O)c2C1 ZINC000875555696 623464304 /nfs/dbraw/zinc/46/43/04/623464304.db2.gz ZVMAXFKNZXEELU-WKILWMFISA-N 0 0 308.381 3.364 20 10 DGCDRN Cc1ncsc1/C=C\C(=O)N(C)c1ccc(N(C)C)cc1 ZINC000776828666 623469326 /nfs/dbraw/zinc/46/93/26/623469326.db2.gz LLZNVAWCWJUMON-KTKRTIGZSA-N 0 0 301.415 3.194 20 10 DGCDRN O=C(NCC1(C2CCC2)CCC1)N1Cc2cccc(O)c2C1 ZINC000875654250 623475912 /nfs/dbraw/zinc/47/59/12/623475912.db2.gz IWOUDEMKKASEKZ-UHFFFAOYSA-N 0 0 300.402 3.388 20 10 DGCDRN C/C=C/CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000875876861 623501993 /nfs/dbraw/zinc/50/19/93/623501993.db2.gz UFJHQXBPGTZNKP-ONEGZZNKSA-N 0 0 301.434 3.394 20 10 DGCDRN Cc1cc(CNC(=O)N(C)CCF)c(C)n1-c1ccccc1 ZINC000875881117 623502557 /nfs/dbraw/zinc/50/25/57/623502557.db2.gz SMLJXLYMRYJHDU-UHFFFAOYSA-N 0 0 303.381 3.205 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(Cl)Cl ZINC000777373620 623517294 /nfs/dbraw/zinc/51/72/94/623517294.db2.gz YZDGYYKEZUDNPS-UHFFFAOYSA-N 0 0 303.233 3.295 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(C)nc1OC ZINC000777414960 623522727 /nfs/dbraw/zinc/52/27/27/623522727.db2.gz QPFMTOHLGUAWQH-UHFFFAOYSA-N 0 0 314.385 3.157 20 10 DGCDRN CN(C)c1ccc(CNc2nnc(CC(C)(C)C)o2)cc1F ZINC000777515252 623533969 /nfs/dbraw/zinc/53/39/69/623533969.db2.gz JDCWPMKWCJXMEZ-UHFFFAOYSA-N 0 0 306.385 3.475 20 10 DGCDRN C[C@@H](NC(=O)NC[C@H]1CCC(C)(C)O1)c1ccc(N(C)C)cc1 ZINC000777637171 623550340 /nfs/dbraw/zinc/55/03/40/623550340.db2.gz HAAFAIJASFRGCM-CZUORRHYSA-N 0 0 319.449 3.070 20 10 DGCDRN Cc1cc(C)nc(NC(=O)NCCCSc2nccs2)c1 ZINC000125824335 623565235 /nfs/dbraw/zinc/56/52/35/623565235.db2.gz KIGVBLJEUNBPTG-UHFFFAOYSA-N 0 0 322.459 3.459 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)CC(C)(C)COC(C)=O ZINC000777799796 623569385 /nfs/dbraw/zinc/56/93/85/623569385.db2.gz DPFREBYKEFYUNV-UHFFFAOYSA-N 0 0 321.417 3.110 20 10 DGCDRN CN(Cc1c(F)cccc1Cl)C(=O)c1cccc(O)c1O ZINC000790466455 625656761 /nfs/dbraw/zinc/65/67/61/625656761.db2.gz ONIGUHQUJHSOCB-UHFFFAOYSA-N 0 0 309.724 3.163 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)N[C@H]2CC23CCC3)C2CC2)cc1 ZINC000876425058 623607503 /nfs/dbraw/zinc/60/75/03/623607503.db2.gz DJBPDPIPQAGIIZ-KRWDZBQOSA-N 0 0 313.445 3.369 20 10 DGCDRN O=C(NCCCSc1nccs1)[C@H](F)Cc1ccccc1 ZINC000778274217 623633827 /nfs/dbraw/zinc/63/38/27/623633827.db2.gz ZZHZTGLLMNOKJS-CYBMUJFWSA-N 0 0 324.446 3.322 20 10 DGCDRN CC(C)Oc1ccccc1[C@H](C)NC(=O)c1cccc(O)c1O ZINC000790538231 625668288 /nfs/dbraw/zinc/66/82/88/625668288.db2.gz FMFXVARYWHSPGE-LBPRGKRZSA-N 0 0 315.369 3.376 20 10 DGCDRN CN(c1ccc(CNC(=O)c2ccncn2)cc1)C1CCCCC1 ZINC000778607950 623676732 /nfs/dbraw/zinc/67/67/32/623676732.db2.gz TXEAISHZRZFKOU-UHFFFAOYSA-N 0 0 324.428 3.176 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Cc1ccc(Cl)c(F)c1 ZINC000790542972 625667774 /nfs/dbraw/zinc/66/77/74/625667774.db2.gz NLPVWCYQEBLXEB-UHFFFAOYSA-N 0 0 307.752 3.386 20 10 DGCDRN CCSc1ccc(CC(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000778930010 623712868 /nfs/dbraw/zinc/71/28/68/623712868.db2.gz PDQMYVZWTUVJGV-UHFFFAOYSA-N 0 0 317.410 3.069 20 10 DGCDRN O=C(Nc1ccc(Br)cc1)c1cccc(O)c1O ZINC000126172044 623715806 /nfs/dbraw/zinc/71/58/06/623715806.db2.gz QYNSLDKJMDZARQ-UHFFFAOYSA-N 0 0 308.131 3.113 20 10 DGCDRN Cc1ccc(CNc2cccc(CN3CCOC3=O)c2)c(O)c1 ZINC000876825670 623720077 /nfs/dbraw/zinc/72/00/77/623720077.db2.gz PIRJJILIZFWELC-UHFFFAOYSA-N 0 0 312.369 3.265 20 10 DGCDRN Cc1ccc2nc(NC(=O)c3cccc(O)c3O)sc2c1 ZINC000126203846 623734008 /nfs/dbraw/zinc/73/40/08/623734008.db2.gz KJQGIGZQRSXHTI-UHFFFAOYSA-N 0 0 300.339 3.268 20 10 DGCDRN CC(C)(C)[C@H](Cn1ccnc1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000876956087 623753966 /nfs/dbraw/zinc/75/39/66/623753966.db2.gz GHTWHLYYAMKNOG-ZDUSSCGKSA-N 0 0 309.360 3.071 20 10 DGCDRN COc1ccc(OC)c(CC[NH2+]Cc2ccc(F)c(F)c2[O-])c1 ZINC000876979221 623759198 /nfs/dbraw/zinc/75/91/98/623759198.db2.gz XPXPAPNNHDPRKZ-UHFFFAOYSA-N 0 0 323.339 3.020 20 10 DGCDRN C[C@H]1CCN(C(=O)NCCCSc2nccs2)C[C@@H]1F ZINC000779363497 623763541 /nfs/dbraw/zinc/76/35/41/623763541.db2.gz FVLMQYWLFXSTHW-QWRGUYRKSA-N 0 0 317.455 3.015 20 10 DGCDRN Cc1nc(C2(NCc3ccc(C)cc3O)CCCCC2)no1 ZINC000877002054 623763792 /nfs/dbraw/zinc/76/37/92/623763792.db2.gz OJKOIXHFJOXQMZ-UHFFFAOYSA-N 0 0 301.390 3.341 20 10 DGCDRN [O-]c1c(C[NH2+][C@@H]2CCOc3ccc(F)cc32)ccc(F)c1F ZINC000877008955 623765255 /nfs/dbraw/zinc/76/52/55/623765255.db2.gz ZCHRTMAMYGMQEH-CYBMUJFWSA-N 0 0 309.287 3.423 20 10 DGCDRN CCc1ccc(CN(C)C(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000779490222 623774373 /nfs/dbraw/zinc/77/43/73/623774373.db2.gz ZHXVGVICLJNEBJ-LUAWRHEFSA-N 0 0 311.381 3.332 20 10 DGCDRN Cc1ccc(CN(C(=O)/C=C/c2ccc(O)c(O)c2)C2CC2)o1 ZINC000779502946 623776039 /nfs/dbraw/zinc/77/60/39/623776039.db2.gz XYSJERADEHYNEF-RUDMXATFSA-N 0 0 313.353 3.204 20 10 DGCDRN CC(C)[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccn1 ZINC000779522156 623777414 /nfs/dbraw/zinc/77/74/14/623777414.db2.gz XBMPFJHSCKMXOX-CNRGFGOASA-N 0 0 312.369 3.020 20 10 DGCDRN CC(C)CC1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000779533117 623777648 /nfs/dbraw/zinc/77/76/48/623777648.db2.gz WLVBWFVNTIPWPQ-GQCTYLIASA-N 0 0 303.402 3.396 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCC1Cc2ccccc2C1 ZINC000779542233 623778152 /nfs/dbraw/zinc/77/81/52/623778152.db2.gz NJWMRXBVMLXVFF-VURMDHGXSA-N 0 0 323.392 3.032 20 10 DGCDRN CC[C@H](CO)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000779616155 623781884 /nfs/dbraw/zinc/78/18/84/623781884.db2.gz QDRGWDKQTXHXGN-MRXNPFEDSA-N 0 0 318.461 3.090 20 10 DGCDRN CCOc1ccc(N(CC)C(=O)/C=C/c2cncc(O)c2)cc1 ZINC000779653079 623784608 /nfs/dbraw/zinc/78/46/08/623784608.db2.gz QKXGQLRZSLLUJL-BJMVGYQFSA-N 0 0 312.369 3.252 20 10 DGCDRN O=C(NC1(Cc2ccccc2)CCCC1)c1cccc(O)c1O ZINC000779650101 623784689 /nfs/dbraw/zinc/78/46/89/623784689.db2.gz UYCGSPIBSPAZNO-UHFFFAOYSA-N 0 0 311.381 3.383 20 10 DGCDRN CC(C)Oc1ncc(C(=O)N(C)c2ccc(N)cc2)cc1Cl ZINC000877075305 623785238 /nfs/dbraw/zinc/78/52/38/623785238.db2.gz CHDMHXWFMDRYPJ-UHFFFAOYSA-N 0 0 319.792 3.381 20 10 DGCDRN COc1cc(C(=O)N(C)c2ccc(N)cc2)ccc1OC(C)C ZINC000877078922 623785800 /nfs/dbraw/zinc/78/58/00/623785800.db2.gz JROWQTUEOSZGDV-UHFFFAOYSA-N 0 0 314.385 3.341 20 10 DGCDRN CN(C(=O)CCCOCCc1ccccc1)c1ccc(N)cc1 ZINC000877078128 623786081 /nfs/dbraw/zinc/78/60/81/623786081.db2.gz DTXUMWURBMRMOV-UHFFFAOYSA-N 0 0 312.413 3.271 20 10 DGCDRN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N(C)c2ccc(N)cc2)c1 ZINC000877080944 623786726 /nfs/dbraw/zinc/78/67/26/623786726.db2.gz SAKTUEGIZICLLN-PXAZEXFGSA-N 0 0 323.396 3.140 20 10 DGCDRN [O-]c1c(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)ccc(F)c1F ZINC000877129441 623798802 /nfs/dbraw/zinc/79/88/02/623798802.db2.gz MEPLVICEUODXGF-JTNHKYCSSA-N 0 0 317.426 3.140 20 10 DGCDRN COC(=O)c1cncnc1/C=C/c1ccc(N2CCCCC2)cc1 ZINC000790608792 625676985 /nfs/dbraw/zinc/67/69/85/625676985.db2.gz GKMFSGSNIUUEMH-JXMROGBWSA-N 0 0 323.396 3.424 20 10 DGCDRN CCN(CC)c1ccc(/C=C\c2ncncc2C(=O)OC)cc1 ZINC000790610174 625677617 /nfs/dbraw/zinc/67/76/17/625677617.db2.gz SVZCDZCOZKVTAE-FLIBITNWSA-N 0 0 311.385 3.280 20 10 DGCDRN Cc1ccc(CNc2ccc(C)c(S(C)(=O)=O)c2)c(O)c1 ZINC000877172768 623816790 /nfs/dbraw/zinc/81/67/90/623816790.db2.gz WONKZQYXTDMUQW-UHFFFAOYSA-N 0 0 305.399 3.025 20 10 DGCDRN COCCc1ncc(CN2CCCc3cc(OC)ccc32)s1 ZINC000877179894 623819211 /nfs/dbraw/zinc/81/92/11/623819211.db2.gz BCMQSXHVYWXZGE-UHFFFAOYSA-N 0 0 318.442 3.293 20 10 DGCDRN COc1ccc(N(C)Cc2c3c(nn2C)CCCC3)cc1F ZINC000877181466 623819287 /nfs/dbraw/zinc/81/92/87/623819287.db2.gz NIRKFPDNGKRMDK-UHFFFAOYSA-N 0 0 303.381 3.083 20 10 DGCDRN CC[C@H](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000779875584 623824994 /nfs/dbraw/zinc/82/49/94/623824994.db2.gz ZZSMBTIWHMUNDI-JYJNAYRXSA-N 0 0 318.461 3.383 20 10 DGCDRN CCOc1ccc(O)c(CNc2ccc3ccn(C)c(=O)c3c2)c1 ZINC000790636970 625680930 /nfs/dbraw/zinc/68/09/30/625680930.db2.gz CPUSDAURKQRSCK-UHFFFAOYSA-N 0 0 324.380 3.255 20 10 DGCDRN CC(C)n1ncc2c1C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])CC2 ZINC000877472038 623898083 /nfs/dbraw/zinc/89/80/83/623898083.db2.gz IHOLKMAPOSVDNO-ZDUSSCGKSA-N 0 0 321.371 3.095 20 10 DGCDRN Cc1cccc(O)c1CN(C)Cc1nc(-c2cccs2)no1 ZINC000877513954 623918965 /nfs/dbraw/zinc/91/89/65/623918965.db2.gz DYKSSTOFKNQHMJ-UHFFFAOYSA-N 0 0 315.398 3.444 20 10 DGCDRN [O-]c1c(C[NH2+]CC2(c3ccccn3)CCC2)ccc(F)c1F ZINC000877518125 623920401 /nfs/dbraw/zinc/92/04/01/623920401.db2.gz FUXHZOWVPDDUHT-UHFFFAOYSA-N 0 0 304.340 3.277 20 10 DGCDRN O=C(NCc1ccccc1O)c1ccc([C@H]2CCCOC2)cc1 ZINC000780452162 623932347 /nfs/dbraw/zinc/93/23/47/623932347.db2.gz RRMDPHQCFSEBKR-KRWDZBQOSA-N 0 0 311.381 3.216 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)ccc(F)c1F ZINC000877541522 623934036 /nfs/dbraw/zinc/93/40/36/623934036.db2.gz PKAGPYXRTBZAFF-CJNGLKHVSA-N 0 0 309.356 3.204 20 10 DGCDRN OC1CCN(c2ccc(CNc3cccc4c3OCC4)cc2)CC1 ZINC000877650391 623977455 /nfs/dbraw/zinc/97/74/55/623977455.db2.gz AXJSZCXPOOCBPT-UHFFFAOYSA-N 0 0 324.424 3.195 20 10 DGCDRN CCOc1ccc(N(C)Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000780775351 623982353 /nfs/dbraw/zinc/98/23/53/623982353.db2.gz UNBMEGUJAWAYGP-UHFFFAOYSA-N 0 0 319.426 3.125 20 10 DGCDRN CC[C@](NCc1ccc(C)cc1O)(C(=O)OC)c1ccccc1 ZINC000877674804 623987944 /nfs/dbraw/zinc/98/79/44/623987944.db2.gz KOAIOMBZMQJOHM-LJQANCHMSA-N 0 0 313.397 3.269 20 10 DGCDRN Cc1ccc2c(c1)[C@@H](NC(=O)NCc1ccccc1O)[C@H](C)C2 ZINC000780828473 623989144 /nfs/dbraw/zinc/98/91/44/623989144.db2.gz QFKQGOXNKKXYSH-ACJLOTCBSA-N 0 0 310.397 3.433 20 10 DGCDRN Cc1ccc(C(=O)NCc2cccc(OC(C)C)c2)c(O)c1O ZINC000780894780 623995502 /nfs/dbraw/zinc/99/55/02/623995502.db2.gz RVZMYXJEENLDHO-UHFFFAOYSA-N 0 0 315.369 3.123 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc([C@H]3C[C@H]3C)o2)c(O)c1O ZINC000780904091 623995974 /nfs/dbraw/zinc/99/59/74/623995974.db2.gz YADITMJOZXWMPZ-MFKMUULPSA-N 0 0 301.342 3.053 20 10 DGCDRN Oc1cccc2c1CN(Cc1cnc([C@@H]3CCCO3)s1)C2 ZINC000877702789 623997102 /nfs/dbraw/zinc/99/71/02/623997102.db2.gz HQMIWXALYCUIPV-HNNXBMFYSA-N 0 0 302.399 3.216 20 10 DGCDRN Oc1cccc2c1CN(Cc1c(C3CC3)nc3sccn13)C2 ZINC000877702814 623997841 /nfs/dbraw/zinc/99/78/41/623997841.db2.gz IPJDHYCJNSPXLD-UHFFFAOYSA-N 0 0 311.410 3.495 20 10 DGCDRN CCC[C@@H](NC(=O)c1ccc(C)c(O)c1O)c1ccccn1 ZINC000780930817 623999865 /nfs/dbraw/zinc/99/98/65/623999865.db2.gz RFIXNIFNWPIDIZ-CQSZACIVSA-N 0 0 300.358 3.072 20 10 DGCDRN Cc1ccc(C(=O)N2C[C@H]3CCCN3c3ccccc32)c(O)c1O ZINC000780937842 624000817 /nfs/dbraw/zinc/00/08/17/624000817.db2.gz GVFUICNCQPJNKW-CYBMUJFWSA-N 0 0 324.380 3.035 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000877711053 624000810 /nfs/dbraw/zinc/00/08/10/624000810.db2.gz VOSVWSACWJNJCJ-BZNIZROVSA-N 0 0 313.800 3.480 20 10 DGCDRN COc1ccc([C@@H]2CN(Cc3cc(F)ccc3O)CCO2)cc1 ZINC000877757240 624022729 /nfs/dbraw/zinc/02/27/29/624022729.db2.gz GQCWDNXVRGMVBP-SFHVURJKSA-N 0 0 317.360 3.113 20 10 DGCDRN COc1cc(O)c(CN[C@@H](CF)c2ccc(F)cc2)cc1OC ZINC000877758465 624023919 /nfs/dbraw/zinc/02/39/19/624023919.db2.gz BYRKUOZDHYDAKL-AWEZNQCLSA-N 0 0 323.339 3.349 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OCCC1OCCO1 ZINC000781167647 624033154 /nfs/dbraw/zinc/03/31/54/624033154.db2.gz SGPWTVADRARFON-UHFFFAOYSA-N 0 0 321.398 3.075 20 10 DGCDRN COc1cc(N(C)C[C@@H]2CCC3(CCC3)O2)cc(OC)c1OC ZINC000878128995 624180925 /nfs/dbraw/zinc/18/09/25/624180925.db2.gz JOBUPOWJZHWZMA-AWEZNQCLSA-N 0 0 321.417 3.250 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1ncnc2cccc(F)c21 ZINC000782043018 624193179 /nfs/dbraw/zinc/19/31/79/624193179.db2.gz WAMZANZUJJVQMT-SNVBAGLBSA-N 0 0 313.332 3.223 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)CC[C@@H](C)OC)cc1 ZINC000782209435 624220760 /nfs/dbraw/zinc/22/07/60/624220760.db2.gz FXZZNWGEGKGSCQ-OAHLLOKOSA-N 0 0 306.450 3.306 20 10 DGCDRN CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCOCC3(CC3)C2)c1 ZINC000782299982 624235816 /nfs/dbraw/zinc/23/58/16/624235816.db2.gz HYZMIGREWFUZQX-UHFFFAOYSA-N 0 0 305.418 3.008 20 10 DGCDRN COc1ccc(O)c([C@H](C)N[C@H](C(=O)OC(C)(C)C)C2CC2)c1 ZINC000878360769 624256047 /nfs/dbraw/zinc/25/60/47/624256047.db2.gz RJPPGARLVXSVKC-ZBEGNZNMSA-N 0 0 321.417 3.172 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCOCC3(CC3)C2)cc1 ZINC000782541675 624261858 /nfs/dbraw/zinc/26/18/58/624261858.db2.gz CDEMXJJWWNDLFZ-UHFFFAOYSA-N 0 0 324.424 3.347 20 10 DGCDRN CCN1C(=O)/C(=C/c2cccc3cnccc23)SC1=S ZINC000782880133 624287098 /nfs/dbraw/zinc/28/70/98/624287098.db2.gz KJGQJDFNPSHSDA-JYRVWZFOSA-N 0 0 300.408 3.456 20 10 DGCDRN CC(C)[C@@H](CC(F)(F)F)NC(=O)NCc1ccccc1O ZINC000782954446 624294730 /nfs/dbraw/zinc/29/47/30/624294730.db2.gz URIBTNHJXVDBJX-LLVKDONJSA-N 0 0 304.312 3.168 20 10 DGCDRN O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(O)c1O ZINC000790874334 625710859 /nfs/dbraw/zinc/71/08/59/625710859.db2.gz COXKDKFASWNREZ-UWVGGRQHSA-N 0 0 317.307 3.196 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccnc(C2CC2)c1 ZINC000783038161 624302957 /nfs/dbraw/zinc/30/29/57/624302957.db2.gz LBZZYXBYUNYMMO-UHFFFAOYSA-N 0 0 321.424 3.489 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCCCS2)cc1 ZINC000783036541 624302960 /nfs/dbraw/zinc/30/29/60/624302960.db2.gz DDTYCHWROOIVIE-MRXNPFEDSA-N 0 0 306.475 3.435 20 10 DGCDRN O=C(COC(=O)c1sccc1C1CC1)c1ccc(O)c(O)c1 ZINC000783230755 624327564 /nfs/dbraw/zinc/32/75/64/624327564.db2.gz NAMBDBYKSJJHDI-UHFFFAOYSA-N 0 0 318.350 3.076 20 10 DGCDRN NC(=O)c1ccc(Cl)c(NCc2c(O)cccc2Cl)c1 ZINC000127259444 624331942 /nfs/dbraw/zinc/33/19/42/624331942.db2.gz JCIOFYVBIIVIOU-UHFFFAOYSA-N 0 0 311.168 3.410 20 10 DGCDRN Cc1ccc(C(=O)OCc2csc(C3CC3)n2)c(O)c1O ZINC000783345541 624339061 /nfs/dbraw/zinc/33/90/61/624339061.db2.gz UGQJCWXTNVCYHU-UHFFFAOYSA-N 0 0 305.355 3.097 20 10 DGCDRN COc1cc(O)c(CNc2cnc3c(c2)CCCC3)cc1OC ZINC000783596079 624372745 /nfs/dbraw/zinc/37/27/45/624372745.db2.gz ADWMUQINFXZHBR-UHFFFAOYSA-N 0 0 314.385 3.295 20 10 DGCDRN C[C@H](OC(=O)C1=CC(=O)CS1)c1noc(-c2ccccc2)n1 ZINC000783607633 624373964 /nfs/dbraw/zinc/37/39/64/624373964.db2.gz JHJPNYAOSKUMGX-VIFPVBQESA-N 0 0 316.338 3.422 20 10 DGCDRN Cc1cscc1CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000783634188 624377608 /nfs/dbraw/zinc/37/76/08/624377608.db2.gz QYNCVNBEWSWFPS-UHFFFAOYSA-N 0 0 303.431 3.122 20 10 DGCDRN CCn1nc(NC(=O)N[C@@H](C)c2ccccc2O)cc1C1CC1 ZINC000878882857 624379201 /nfs/dbraw/zinc/37/92/01/624379201.db2.gz OIJZMBOZYYCZMJ-NSHDSACASA-N 0 0 314.389 3.369 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)N1CCCN(C)c2ccccc21 ZINC000784027057 624424528 /nfs/dbraw/zinc/42/45/28/624424528.db2.gz UHYDADSOUVVGLT-CMDGGOBGSA-N 0 0 307.397 3.276 20 10 DGCDRN CCn1nc(C)c(NC(=O)N[C@@H](C)c2ccccc2O)c1C ZINC000879093557 624424910 /nfs/dbraw/zinc/42/49/10/624424910.db2.gz CWJNYJCXPIPFPZ-JTQLQIEISA-N 0 0 302.378 3.108 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C=C/c1cnccc1C)C[C@@H](C)O2 ZINC000784049831 624428207 /nfs/dbraw/zinc/42/82/07/624428207.db2.gz RNSWJEIXZCIEGW-BTKRWWFXSA-N 0 0 324.380 3.226 20 10 DGCDRN CC[C@@H]([NH2+]CC1(OC)CCOCC1)c1cccc(Cl)c1[O-] ZINC000806149463 624438542 /nfs/dbraw/zinc/43/85/42/624438542.db2.gz SYPMAVCOYBFGJX-CQSZACIVSA-N 0 0 313.825 3.282 20 10 DGCDRN CCc1nnc(CN(CC)Cc2ccc(N(C)C)cc2)s1 ZINC000784124166 624441550 /nfs/dbraw/zinc/44/15/50/624441550.db2.gz ILEBRAJZQWRFRP-UHFFFAOYSA-N 0 0 304.463 3.189 20 10 DGCDRN CC(C)[C@@H](F)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000784130822 624442098 /nfs/dbraw/zinc/44/20/98/624442098.db2.gz YCLNYEXNDTVQGX-CQSZACIVSA-N 0 0 312.348 3.329 20 10 DGCDRN C[C@@H]1C[C@@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CO1 ZINC000784312010 624494079 /nfs/dbraw/zinc/49/40/79/624494079.db2.gz HYHIZAHAUVXPPJ-NVXWUHKLSA-N 0 0 316.445 3.060 20 10 DGCDRN CC1(C)CCC(=CC(=O)OCC(=O)c2ccc(O)c(O)c2)CC1 ZINC000784337583 624505638 /nfs/dbraw/zinc/50/56/38/624505638.db2.gz XQRNWZYQFKIIBY-UHFFFAOYSA-N 0 0 318.369 3.350 20 10 DGCDRN CCCCC[C@@H](CC)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784543647 624546495 /nfs/dbraw/zinc/54/64/95/624546495.db2.gz HLMPMGVAALAZJX-GFCCVEGCSA-N 0 0 308.374 3.430 20 10 DGCDRN C[C@@H](CCC(C)(C)C)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784694283 624573180 /nfs/dbraw/zinc/57/31/80/624573180.db2.gz CXPUWQINADSWLO-NSHDSACASA-N 0 0 308.374 3.286 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN(C)OCC(F)(F)F)c1O ZINC000879513024 624574700 /nfs/dbraw/zinc/57/47/00/624574700.db2.gz AGZVOWVXLPTUKX-UHFFFAOYSA-N 0 0 311.687 3.174 20 10 DGCDRN Cc1ccc(NCc2ccc(N(C)C)cc2)cc1N1CCNC1=O ZINC000785553869 624685310 /nfs/dbraw/zinc/68/53/10/624685310.db2.gz UNFRGDUICBJWML-UHFFFAOYSA-N 0 0 324.428 3.203 20 10 DGCDRN NC(=O)N1CCc2ccc(NCc3cc(Cl)ccc3O)cc21 ZINC000785572603 624689330 /nfs/dbraw/zinc/68/93/30/624689330.db2.gz QEPFMHKFUJWEQD-UHFFFAOYSA-N 0 0 317.776 3.099 20 10 DGCDRN Cc1sccc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000880400042 624949975 /nfs/dbraw/zinc/94/99/75/624949975.db2.gz BXGRDAPVVLEFFH-SECBINFHSA-N 0 0 306.387 3.220 20 10 DGCDRN CC[C@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(F)(F)F ZINC000786817754 624956256 /nfs/dbraw/zinc/95/62/56/624956256.db2.gz WBCBAVCKGRTBAH-GWCFXTLKSA-N 0 0 317.355 3.454 20 10 DGCDRN CN(C)c1ccc(OCC(=O)N(Cc2ccccc2)C2CC2)cc1 ZINC000786866788 624959461 /nfs/dbraw/zinc/95/94/61/624959461.db2.gz WISDAYCICFFCGR-UHFFFAOYSA-N 0 0 324.424 3.323 20 10 DGCDRN C[C@@H]1CCCC[C@H]1N(C)C(=O)COc1ccc(N(C)C)cc1 ZINC000786876303 624960057 /nfs/dbraw/zinc/96/00/57/624960057.db2.gz KWSWXNPTIQQANP-RHSMWYFYSA-N 0 0 304.434 3.169 20 10 DGCDRN COC(C)(C)CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000787259974 624992596 /nfs/dbraw/zinc/99/25/96/624992596.db2.gz MKCCREFCAXAPFW-INIZCTEOSA-N 0 0 307.434 3.188 20 10 DGCDRN Cc1cccc(CNc2cccc(N3CCNC3=O)c2C)c1O ZINC000787312383 624999436 /nfs/dbraw/zinc/99/94/36/624999436.db2.gz MSWFKPCLDSCNKL-UHFFFAOYSA-N 0 0 311.385 3.151 20 10 DGCDRN CCOC(CC[NH2+]Cc1cc(Cl)cc(F)c1[O-])OCC ZINC000787431357 625009613 /nfs/dbraw/zinc/00/96/13/625009613.db2.gz ADHWKSDJDXWRQR-UHFFFAOYSA-N 0 0 305.777 3.064 20 10 DGCDRN CCOC(=O)[C@H](CC)N(Cc1ccc(OCC)cc1O)C1CC1 ZINC000787441732 625010637 /nfs/dbraw/zinc/01/06/37/625010637.db2.gz YXJHDKYPNYMIEL-INIZCTEOSA-N 0 0 321.417 3.097 20 10 DGCDRN Cc1cccc(C)c1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000128564900 625013780 /nfs/dbraw/zinc/01/37/80/625013780.db2.gz KWGKAHQQMIAMJA-UHFFFAOYSA-N 0 0 300.358 3.079 20 10 DGCDRN COc1cc(C)cc(NC(=O)c2ccc(C)c(O)c2O)c1C ZINC000787648886 625028470 /nfs/dbraw/zinc/02/84/70/625028470.db2.gz HWTWCLADRKIRIQ-UHFFFAOYSA-N 0 0 301.342 3.284 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)OCCCCCO)cc1 ZINC000787983414 625083889 /nfs/dbraw/zinc/08/38/89/625083889.db2.gz PCOGUDBLRSAJGR-UHFFFAOYSA-N 0 0 301.386 3.414 20 10 DGCDRN COC(=O)c1cc(NCc2cc(OC)ccc2O)c(C)cc1C ZINC000788268751 625111263 /nfs/dbraw/zinc/11/12/63/625111263.db2.gz GAMGKMDGVGDJJA-UHFFFAOYSA-N 0 0 315.369 3.416 20 10 DGCDRN Oc1ccc(CCNc2nccc(Oc3ccccc3)n2)cc1O ZINC000788542904 625212160 /nfs/dbraw/zinc/21/21/60/625212160.db2.gz SYTVMZOGZIZWPK-UHFFFAOYSA-N 0 0 323.352 3.335 20 10 DGCDRN C=C/C(C)=C/CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000788629821 625231249 /nfs/dbraw/zinc/23/12/49/625231249.db2.gz FNACVZSEUDNJRD-FZSIALSZSA-N 0 0 314.429 3.004 20 10 DGCDRN COCCOC[C@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788666754 625238301 /nfs/dbraw/zinc/23/83/01/625238301.db2.gz SKVZDPZAYFFOOF-WDEREUQCSA-N 0 0 321.339 3.113 20 10 DGCDRN CCN1CC(=O)N[C@@H]1c1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000788688545 625243372 /nfs/dbraw/zinc/24/33/72/625243372.db2.gz BYVDJGKDLVPQIH-KRWDZBQOSA-N 0 0 318.461 3.438 20 10 DGCDRN CN(CC[NH2+]Cc1c([O-])ccc(Cl)c1F)c1ccccc1 ZINC000790949907 625721081 /nfs/dbraw/zinc/72/10/81/625721081.db2.gz KGNSYVWRQYKABR-UHFFFAOYSA-N 0 0 308.784 3.411 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OCc1ncccn1 ZINC000791342465 625780506 /nfs/dbraw/zinc/78/05/06/625780506.db2.gz GBVZSXSZAHUZDG-UHFFFAOYSA-N 0 0 313.382 3.303 20 10 DGCDRN Cc1cc(NS(=O)(=O)[C@H]2C[C@H]2c2cccc(F)c2)ccc1O ZINC000882709707 625794494 /nfs/dbraw/zinc/79/44/94/625794494.db2.gz UDBUCBDEHHWIKZ-HOCLYGCPSA-N 0 0 321.373 3.138 20 10 DGCDRN Cc1cc(NS(=O)(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)ccc1O ZINC000882709705 625794874 /nfs/dbraw/zinc/79/48/74/625794874.db2.gz UDBUCBDEHHWIKZ-GDBMZVCRSA-N 0 0 321.373 3.138 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCc2cccnc2)cc1 ZINC000025522032 625796513 /nfs/dbraw/zinc/79/65/13/625796513.db2.gz LBABXUCMHJMTHX-UHFFFAOYSA-N 0 0 319.408 3.462 20 10 DGCDRN O=S(=O)(CCC1CCCC1)Nc1ccc(O)cc1Cl ZINC000882750587 625806146 /nfs/dbraw/zinc/80/61/46/625806146.db2.gz CNJVSPICVLWOIR-UHFFFAOYSA-N 0 0 303.811 3.368 20 10 DGCDRN O=C1/C(=C\c2cccc(F)c2)SC(=S)N1Cc1ccon1 ZINC000130355670 625841361 /nfs/dbraw/zinc/84/13/61/625841361.db2.gz XAYXXDQNGYZHHB-KPKJPENVSA-N 0 0 320.370 3.215 20 10 DGCDRN CN(C)[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])c1cccs1 ZINC000882880011 625841974 /nfs/dbraw/zinc/84/19/74/625841974.db2.gz XWDDYTJNLIOSRS-CYBMUJFWSA-N 0 0 312.385 3.124 20 10 DGCDRN CN(C)[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])c1cccs1 ZINC000882880012 625842407 /nfs/dbraw/zinc/84/24/07/625842407.db2.gz XWDDYTJNLIOSRS-ZDUSSCGKSA-N 0 0 312.385 3.124 20 10 DGCDRN CN(C)[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccsc1 ZINC000882882562 625844215 /nfs/dbraw/zinc/84/42/15/625844215.db2.gz QJNNONVMQRRIDW-CQSZACIVSA-N 0 0 312.385 3.124 20 10 DGCDRN CCOCc1ccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC000882887719 625846487 /nfs/dbraw/zinc/84/64/87/625846487.db2.gz CWBIMQHNFQWLFN-UHFFFAOYSA-N 0 0 307.340 3.497 20 10 DGCDRN C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882978756 625882056 /nfs/dbraw/zinc/88/20/56/625882056.db2.gz AUOLLVNJZSRPPV-LLVKDONJSA-N 0 0 307.340 3.487 20 10 DGCDRN C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)C1CCC1 ZINC000130676068 625886894 /nfs/dbraw/zinc/88/68/94/625886894.db2.gz VHJDBQXBTUDBCH-CYBMUJFWSA-N 0 0 301.434 3.057 20 10 DGCDRN COc1cccc2c1OCC[C@@H]2[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882996872 625890756 /nfs/dbraw/zinc/89/07/56/625890756.db2.gz LWHMCRPDQXTNON-AWEZNQCLSA-N 0 0 321.323 3.292 20 10 DGCDRN Cc1ccnc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000792032668 625902319 /nfs/dbraw/zinc/90/23/19/625902319.db2.gz CXCJTNAJDZLHEI-UHFFFAOYSA-N 0 0 324.428 3.048 20 10 DGCDRN C[C@H](O)C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000883041395 625907943 /nfs/dbraw/zinc/90/79/43/625907943.db2.gz LDUYVTKOAIICJY-JSGCOSHPSA-N 0 0 321.367 3.315 20 10 DGCDRN CC[C@]1(CO)CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792179717 625920521 /nfs/dbraw/zinc/92/05/21/625920521.db2.gz LMGYXDMHDZYDCV-HNNXBMFYSA-N 0 0 301.789 3.169 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000883136082 625939379 /nfs/dbraw/zinc/93/93/79/625939379.db2.gz ULTGOXJRTQYQMS-GOEBONIOSA-N 0 0 320.339 3.075 20 10 DGCDRN COCC[C@@H](C)C[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000883146041 625942467 /nfs/dbraw/zinc/94/24/67/625942467.db2.gz XOKXGEIILOXMBD-SECBINFHSA-N 0 0 320.202 3.056 20 10 DGCDRN Oc1c(F)cc(F)cc1CNc1cccc2c1OCCCO2 ZINC000883199799 625968531 /nfs/dbraw/zinc/96/85/31/625968531.db2.gz PGKFHJVAVQBUEP-UHFFFAOYSA-N 0 0 307.296 3.444 20 10 DGCDRN COc1ccc2c(c1)CCCN2CC(=O)c1cc(C)n(C)c1C ZINC000796330044 626039127 /nfs/dbraw/zinc/03/91/27/626039127.db2.gz ZPLHZIXTOOUDFA-UHFFFAOYSA-N 0 0 312.413 3.286 20 10 DGCDRN COc1ccc(N(CCC(C)C)CC(=O)NC(C)(C)C)cc1 ZINC000796506201 626056843 /nfs/dbraw/zinc/05/68/43/626056843.db2.gz VIIOMROMDOWBRU-UHFFFAOYSA-N 0 0 306.450 3.462 20 10 DGCDRN CC[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccc(F)cc1[O-] ZINC000796737124 626077918 /nfs/dbraw/zinc/07/79/18/626077918.db2.gz KIMMMFRSRSBPPT-AWEZNQCLSA-N 0 0 316.367 3.302 20 10 DGCDRN CC[C@@H]([NH2+]CCN(C)CC(F)(F)F)c1ccc(F)cc1[O-] ZINC000796765486 626080126 /nfs/dbraw/zinc/08/01/26/626080126.db2.gz ZQLGCKHQKJRYGE-GFCCVEGCSA-N 0 0 308.319 3.066 20 10 DGCDRN CC[C@H]([NH2+]CCCNc1ccccn1)c1ccc(F)cc1[O-] ZINC000796794954 626083927 /nfs/dbraw/zinc/08/39/27/626083927.db2.gz ZJIKKHVIKKRHEU-HNNXBMFYSA-N 0 0 303.381 3.469 20 10 DGCDRN CC[C@@H]([NH2+][C@H](C(=O)N1CCCC1)C(C)C)c1ccc(F)cc1[O-] ZINC000796818543 626086611 /nfs/dbraw/zinc/08/66/11/626086611.db2.gz VBINUGWCYVABJA-WBVHZDCISA-N 0 0 322.424 3.219 20 10 DGCDRN Cc1cc(C(=O)O[C@@H](C)c2ccnn2C)c(C)n1-c1ccccn1 ZINC000797009611 626104021 /nfs/dbraw/zinc/10/40/21/626104021.db2.gz UESHVIWKANOYBE-AWEZNQCLSA-N 0 0 324.384 3.141 20 10 DGCDRN C[C@H]([NH2+]CC1(C(F)(F)F)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000797071130 626110377 /nfs/dbraw/zinc/11/03/77/626110377.db2.gz RDILJNXCRFNOMU-QMMMGPOBSA-N 0 0 304.268 3.294 20 10 DGCDRN C[C@@H]([NH2+]CC1(C(F)(F)F)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000797071128 626110383 /nfs/dbraw/zinc/11/03/83/626110383.db2.gz RDILJNXCRFNOMU-MRVPVSSYSA-N 0 0 304.268 3.294 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000797190966 626124125 /nfs/dbraw/zinc/12/41/25/626124125.db2.gz SIDRNSLTQMVOFQ-ZYHUDNBSSA-N 0 0 301.308 3.329 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2C[C@H]2C2CC2)cc1 ZINC000797577712 626154648 /nfs/dbraw/zinc/15/46/48/626154648.db2.gz LTXFHKYJXRETSM-ZWKOTPCHSA-N 0 0 315.461 3.473 20 10 DGCDRN COc1ccc(CNC(=O)Nc2cccc(C)c2F)c(O)c1 ZINC000797640696 626161762 /nfs/dbraw/zinc/16/17/62/626161762.db2.gz UFOLUJQEFKHHFC-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN COc1cccc(CNC(=O)[C@H]2[C@H](c3ccccc3)[C@@H]2C)c1O ZINC000797744852 626167204 /nfs/dbraw/zinc/16/72/04/626167204.db2.gz UCKHBWKEUNATNY-AFAVFJNCSA-N 0 0 311.381 3.067 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@H]2CCC(F)(F)C2)c1 ZINC000797942944 626183065 /nfs/dbraw/zinc/18/30/65/626183065.db2.gz LTJZTRMIFRJQKW-GHMZBOCLSA-N 0 0 313.344 3.404 20 10 DGCDRN COC(=O)Nc1cccc(NC(=O)C2=CC(=O)CS2)c1C ZINC000798122515 626195416 /nfs/dbraw/zinc/19/54/16/626195416.db2.gz YLQOHGZEKYGXLE-UHFFFAOYSA-N 0 0 306.343 3.193 20 10 DGCDRN Cc1c(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])cnn1C ZINC000798182029 626200432 /nfs/dbraw/zinc/20/04/32/626200432.db2.gz PVHIYKJTRSGVCQ-SECBINFHSA-N 0 0 313.323 3.304 20 10 DGCDRN Cc1ccccc1CN(C)C(=O)COc1ccc(N(C)C)cc1 ZINC000798219837 626203104 /nfs/dbraw/zinc/20/31/04/626203104.db2.gz OJBSYVLWACYWCC-UHFFFAOYSA-N 0 0 312.413 3.098 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CCCC1CCOCC1 ZINC000798441627 626218306 /nfs/dbraw/zinc/21/83/06/626218306.db2.gz VPYJIXONWREDNW-UHFFFAOYSA-N 0 0 318.461 3.274 20 10 DGCDRN CCOc1ccc(CNc2ccc(N3CCC3=O)cc2)c(O)c1 ZINC000798502817 626221717 /nfs/dbraw/zinc/22/17/17/626221717.db2.gz XCVOPVHRQMUJAC-UHFFFAOYSA-N 0 0 312.369 3.140 20 10 DGCDRN C[C@@H]1CCC[C@H]1CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000798512240 626222946 /nfs/dbraw/zinc/22/29/46/626222946.db2.gz GCEPPNLVRWKPRR-ZBFHGGJFSA-N 0 0 303.450 3.330 20 10 DGCDRN CO[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000799352654 626294614 /nfs/dbraw/zinc/29/46/14/626294614.db2.gz ZZSQBESJAQEFDN-AAEUAGOBSA-N 0 0 314.769 3.001 20 10 DGCDRN CO[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000799383212 626297638 /nfs/dbraw/zinc/29/76/38/626297638.db2.gz GRQFUCISXUIMBE-CKEIUWERSA-N 0 0 319.449 3.023 20 10 DGCDRN CC(C)c1nnc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000799630977 626314412 /nfs/dbraw/zinc/31/44/12/626314412.db2.gz GEQMTCRXEYVEOV-NSHDSACASA-N 0 0 318.446 3.219 20 10 DGCDRN C[C@H]([NH2+][C@H](CCO)Cc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000799732131 626325981 /nfs/dbraw/zinc/32/59/81/626325981.db2.gz VKAAVDOJNYLGSX-SWLSCSKDSA-N 0 0 321.367 3.315 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1cc(C(F)(F)F)n[nH]1 ZINC000799735179 626326500 /nfs/dbraw/zinc/32/65/00/626326500.db2.gz WZFPXTKIAFMMGP-UHFFFAOYSA-N 0 0 311.307 3.390 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H](CCO)Cc1ccccc1 ZINC000799738956 626326932 /nfs/dbraw/zinc/32/69/32/626326932.db2.gz DHHPEECXYIXCEG-OAHLLOKOSA-N 0 0 305.805 3.129 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H](CCO)Cc1ccccc1 ZINC000799739049 626327101 /nfs/dbraw/zinc/32/71/01/626327101.db2.gz IEVVCGPFGRLDIB-OAHLLOKOSA-N 0 0 323.795 3.268 20 10 DGCDRN COc1cccc(CN2CCOc3cc(N(C)C)ccc32)c1F ZINC000800520695 626366051 /nfs/dbraw/zinc/36/60/51/626366051.db2.gz NDJDKBVVDHWZTM-UHFFFAOYSA-N 0 0 316.376 3.299 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C[C@H]1CCCCO1 ZINC000839918926 626372599 /nfs/dbraw/zinc/37/25/99/626372599.db2.gz DRLGOHQBMHFOJN-CRAIPNDOSA-N 0 0 318.461 3.067 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(C)(Cl)Cl ZINC000839919465 626372886 /nfs/dbraw/zinc/37/28/86/626372886.db2.gz HGMBZOPTYHCCIE-LLVKDONJSA-N 0 0 317.260 3.302 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000839920466 626373394 /nfs/dbraw/zinc/37/33/94/626373394.db2.gz PSEJPQXOXMDTAH-VIBAHUMZSA-N 0 0 300.446 3.154 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CSC1CC1 ZINC000839921602 626373997 /nfs/dbraw/zinc/37/39/97/626373997.db2.gz GIGSOXLPENAQMM-CYBMUJFWSA-N 0 0 306.475 3.004 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)c1nc([C@H](C)OC)ns1 ZINC000800858002 626379376 /nfs/dbraw/zinc/37/93/76/626379376.db2.gz CVAXCHIINIPIQP-LBPRGKRZSA-N 0 0 320.462 3.338 20 10 DGCDRN CO[C@H](C)c1nsc(N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000800864766 626380712 /nfs/dbraw/zinc/38/07/12/626380712.db2.gz PXZGLEBXCYQSED-WDEREUQCSA-N 0 0 306.435 3.485 20 10 DGCDRN CCCCN(Cc1ccccc1O)c1ncnc2onc(C)c21 ZINC000800887567 626382854 /nfs/dbraw/zinc/38/28/54/626382854.db2.gz XTKXUGOHRXQDEU-UHFFFAOYSA-N 0 0 312.373 3.439 20 10 DGCDRN CCCCN(Cc1ccccc1O)c1cc(COC)ncn1 ZINC000800887314 626383024 /nfs/dbraw/zinc/38/30/24/626383024.db2.gz OVCVLYZAHMBYDM-UHFFFAOYSA-N 0 0 301.390 3.135 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCc3cc(F)ccc32)cc1 ZINC000800913061 626384810 /nfs/dbraw/zinc/38/48/10/626384810.db2.gz AIVJUQKMUOXGPL-UHFFFAOYSA-N 0 0 313.376 3.164 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)[C@H]3C[C@@H]3C(F)F)cc2)CC1 ZINC000801153966 626396002 /nfs/dbraw/zinc/39/60/02/626396002.db2.gz GWYVZFUDODACDU-HOTGVXAUSA-N 0 0 322.399 3.440 20 10 DGCDRN COc1ccc(N(Cc2ccc(OC)nn2)CC(C)C)cc1 ZINC000801520907 626407264 /nfs/dbraw/zinc/40/72/64/626407264.db2.gz BPECPUCSWGQLAD-UHFFFAOYSA-N 0 0 301.390 3.156 20 10 DGCDRN CCN(Cc1c(Cl)ncnc1N(C)C)c1ccc(OC)cc1 ZINC000801522617 626407418 /nfs/dbraw/zinc/40/74/18/626407418.db2.gz WRWRYSUODVHAOR-UHFFFAOYSA-N 0 0 320.824 3.231 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccn(C(F)F)n1 ZINC000801548413 626409193 /nfs/dbraw/zinc/40/91/93/626409193.db2.gz FDBKCGPCSXXELR-UHFFFAOYSA-N 0 0 323.343 3.426 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1O[C@@H](C)C[C@@H]1C ZINC000801549369 626409350 /nfs/dbraw/zinc/40/93/50/626409350.db2.gz LPNSAGIFRNINAG-GRDNDAEWSA-N 0 0 305.418 3.334 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1O[C@@H](C)C[C@H]1C ZINC000801549371 626409364 /nfs/dbraw/zinc/40/93/64/626409364.db2.gz LPNSAGIFRNINAG-JKIFEVAISA-N 0 0 305.418 3.334 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccnn1CC ZINC000801549720 626409589 /nfs/dbraw/zinc/40/95/89/626409589.db2.gz XOGMSXXRXJGLLI-UHFFFAOYSA-N 0 0 301.390 3.051 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)c1cnn(C)c1 ZINC000801550012 626409608 /nfs/dbraw/zinc/40/96/08/626409608.db2.gz LCVBRRYILWKLPO-AWEZNQCLSA-N 0 0 315.417 3.058 20 10 DGCDRN CCCCN(Cc1ncnn1CCC)Cc1ccccc1O ZINC000801595435 626411477 /nfs/dbraw/zinc/41/14/77/626411477.db2.gz BFPHQOVNSQFMDG-UHFFFAOYSA-N 0 0 302.422 3.196 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CSC2(C)C)c1 ZINC000801735293 626416581 /nfs/dbraw/zinc/41/65/81/626416581.db2.gz JDTPXFVEBKWSLK-NSHDSACASA-N 0 0 316.264 3.447 20 10 DGCDRN FC(F)[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000802655470 626565162 /nfs/dbraw/zinc/56/51/62/626565162.db2.gz XKVMIMTWFOIJTQ-MRXNPFEDSA-N 0 0 310.388 3.143 20 10 DGCDRN FC(F)[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000802655469 626565171 /nfs/dbraw/zinc/56/51/71/626565171.db2.gz XKVMIMTWFOIJTQ-INIZCTEOSA-N 0 0 310.388 3.143 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cncc(Cl)n1 ZINC000802657903 626565486 /nfs/dbraw/zinc/56/54/86/626565486.db2.gz CRZZWMNAFDNVIG-UHFFFAOYSA-N 0 0 319.792 3.278 20 10 DGCDRN CN(C)c1ccc(CN2CCOc3cccc(F)c3C2)cc1F ZINC000802656169 626565519 /nfs/dbraw/zinc/56/55/19/626565519.db2.gz LHIGTOFNKPBIIL-UHFFFAOYSA-N 0 0 318.367 3.425 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cnc(Cl)c(F)c1 ZINC000803189897 626597069 /nfs/dbraw/zinc/59/70/69/626597069.db2.gz PPJZWPVHSWHPHR-UHFFFAOYSA-N 0 0 321.783 3.179 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OCCCCCO ZINC000803295564 626603313 /nfs/dbraw/zinc/60/33/13/626603313.db2.gz VVFXJRUZAOADSN-UHFFFAOYSA-N 0 0 307.415 3.475 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C=C/c1cncc(C)c1)C[C@H](C)O2 ZINC000131242040 626614878 /nfs/dbraw/zinc/61/48/78/626614878.db2.gz LWZDJAGUYKLCML-GBXSZLQWSA-N 0 0 324.380 3.226 20 10 DGCDRN C[C@H]([NH2+]CC1(C)CC(F)(F)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000883256140 626625885 /nfs/dbraw/zinc/62/58/85/626625885.db2.gz PDGKUBLNVJSDMX-VIFPVBQESA-N 0 0 300.305 3.386 20 10 DGCDRN CC[C@H]([NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-])[C@@H]1CCCOC1 ZINC000883352359 626657315 /nfs/dbraw/zinc/65/73/15/626657315.db2.gz ZKPUFPYRGCAKBY-XPKDYRNWSA-N 0 0 321.417 3.035 20 10 DGCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccsc1 ZINC000804242130 626663358 /nfs/dbraw/zinc/66/33/58/626663358.db2.gz CFDSXRGNHIUANH-UHFFFAOYSA-N 0 0 322.773 3.076 20 10 DGCDRN Cc1cc2c(cc1C)N(C(=O)/C=C\c1ccc(O)c(O)c1)CC2 ZINC000804320769 626669028 /nfs/dbraw/zinc/66/90/28/626669028.db2.gz VXHICWTZAZFGLJ-XQRVVYSFSA-N 0 0 309.365 3.317 20 10 DGCDRN Cc1ccc([C@@H](C)Nc2cccc3c2N(C)C(=O)CO3)c(O)c1 ZINC000883397049 626672068 /nfs/dbraw/zinc/67/20/68/626672068.db2.gz CNAGTZPEJFEVBZ-GFCCVEGCSA-N 0 0 312.369 3.229 20 10 DGCDRN C[C@@H](N[C@@H](C)C(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000883399341 626673196 /nfs/dbraw/zinc/67/31/96/626673196.db2.gz JXXXADCTCILJNW-MNOVXSKESA-N 0 0 318.795 3.481 20 10 DGCDRN COc1ccc(N(C)Cc2c(F)cccc2[N+](=O)[O-])c(OC)c1 ZINC000131873607 626685145 /nfs/dbraw/zinc/68/51/45/626685145.db2.gz PIFGWVJMPNNKDP-UHFFFAOYSA-N 0 0 320.320 3.388 20 10 DGCDRN COC(=O)c1cncnc1Sc1ncc(C(C)(C)C)s1 ZINC000804551855 626692000 /nfs/dbraw/zinc/69/20/00/626692000.db2.gz UQXUAVXCWVMSOA-UHFFFAOYSA-N 0 0 309.416 3.168 20 10 DGCDRN C[C@H](Nc1cc(N2CCCC2)ncn1)c1ccc(N(C)C)cc1 ZINC000804622138 626698790 /nfs/dbraw/zinc/69/87/90/626698790.db2.gz UHMGLFFDQGEGEN-AWEZNQCLSA-N 0 0 311.433 3.316 20 10 DGCDRN CC[C@@H]([NH2+]CCCN1CCCCC1=O)c1cccc(Cl)c1[O-] ZINC000806138645 626700933 /nfs/dbraw/zinc/70/09/33/626700933.db2.gz YQONCNVUGPABEE-OAHLLOKOSA-N 0 0 324.852 3.489 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2c(C)ccnc2C)c1 ZINC000806538051 626719705 /nfs/dbraw/zinc/71/97/05/626719705.db2.gz SYQMFODUPTXJRS-NSHDSACASA-N 0 0 315.373 3.295 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CSC[C@H]1C ZINC000807477253 626758388 /nfs/dbraw/zinc/75/83/88/626758388.db2.gz MDIZMVSPNMKEFD-UKRRQHHQSA-N 0 0 322.474 3.455 20 10 DGCDRN C[C@@H]1CC[C@H]1NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000807557328 626759714 /nfs/dbraw/zinc/75/97/14/626759714.db2.gz XYCSQLYAFFDRBS-CZUORRHYSA-N 0 0 314.385 3.496 20 10 DGCDRN Cn1ccnc1[C@@H]1N(Cc2cc3c(cc2O)CCC3)CC1(C)C ZINC000840106780 626764214 /nfs/dbraw/zinc/76/42/14/626764214.db2.gz HOGAKQGQLKTSKL-KRWDZBQOSA-N 0 0 311.429 3.198 20 10 DGCDRN CN(C)c1ccc(CN(c2ccc3c(n2)CCC3=O)C2CC2)cc1 ZINC000807931045 626778433 /nfs/dbraw/zinc/77/84/33/626778433.db2.gz NBQPFWWLQGDSJU-UHFFFAOYSA-N 0 0 321.424 3.446 20 10 DGCDRN CCc1cccc(CC)c1-n1ccnc1SCC(=O)C(C)=O ZINC000808021624 626788206 /nfs/dbraw/zinc/78/82/06/626788206.db2.gz UFUKIJYPPKVJMT-UHFFFAOYSA-N 0 0 316.426 3.247 20 10 DGCDRN COc1ccc(CCCC(=O)Nc2ccc(N)cc2)cc1OC ZINC000884009016 626788169 /nfs/dbraw/zinc/78/81/69/626788169.db2.gz JGUXHVAAEKSEAD-UHFFFAOYSA-N 0 0 314.385 3.247 20 10 DGCDRN Nc1ccc(NC(=O)C[C@H]2CCc3sccc3C2=O)cc1 ZINC000884009042 626788427 /nfs/dbraw/zinc/78/84/27/626788427.db2.gz JYUKWGIPNRZZPZ-SNVBAGLBSA-N 0 0 300.383 3.104 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1ccc(F)cc1 ZINC000808094551 626791817 /nfs/dbraw/zinc/79/18/17/626791817.db2.gz UMIRJRDZALXQNI-UHFFFAOYSA-N 0 0 322.376 3.266 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C)c(OC)c1 ZINC000808093234 626792154 /nfs/dbraw/zinc/79/21/54/626792154.db2.gz KMBCJUIWQQMGGD-UHFFFAOYSA-N 0 0 320.385 3.125 20 10 DGCDRN COCCC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000800048555 626798759 /nfs/dbraw/zinc/79/87/59/626798759.db2.gz FACGZJPVKSZJQF-CYBMUJFWSA-N 0 0 324.852 3.229 20 10 DGCDRN CC[C@]1(C)CC(=O)N(CN2CCCc3cc(OC)ccc32)C1 ZINC000808169842 626801757 /nfs/dbraw/zinc/80/17/57/626801757.db2.gz FVJUJXBAUHJFDX-GOSISDBHSA-N 0 0 302.418 3.054 20 10 DGCDRN Oc1ccc(Cl)c(F)c1CNc1ccc(C2(O)COC2)cc1 ZINC000808433587 626824341 /nfs/dbraw/zinc/82/43/41/626824341.db2.gz XSFPMNBOYVRBQL-UHFFFAOYSA-N 0 0 323.751 3.015 20 10 DGCDRN CC(=O)C(=O)COC(=O)CCCc1ccc(C(C)(C)C)cc1 ZINC000808513546 626834870 /nfs/dbraw/zinc/83/48/70/626834870.db2.gz ITGUTAUPZAAQKC-UHFFFAOYSA-N 0 0 304.386 3.008 20 10 DGCDRN COc1ccc(N(C)Cc2cnnn2-c2ccccc2)cc1F ZINC000808733923 626856199 /nfs/dbraw/zinc/85/61/99/626856199.db2.gz FMSDFTDWEBWAFA-UHFFFAOYSA-N 0 0 312.348 3.051 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1cnc([C@H](C)O)s1 ZINC000809635881 626930200 /nfs/dbraw/zinc/93/02/00/626930200.db2.gz NGUIAWPKZLQHHB-NSHDSACASA-N 0 0 304.415 3.158 20 10 DGCDRN COC(=O)c1cc(CN(C)c2ccc(OC(C)C)cc2)cn1C ZINC000809653620 626933169 /nfs/dbraw/zinc/93/31/69/626933169.db2.gz BAHPZRLVUYPKDD-UHFFFAOYSA-N 0 0 316.401 3.235 20 10 DGCDRN CNC(=O)c1ccc(NCc2cc(Cl)cc(C)c2O)cc1 ZINC000809659778 626933918 /nfs/dbraw/zinc/93/39/18/626933918.db2.gz ZJDWSTHVVJMLIG-UHFFFAOYSA-N 0 0 304.777 3.326 20 10 DGCDRN CCOc1ccc(CN2CCCC[C@H]2c2cc[nH]n2)c(O)c1 ZINC000809693730 626937249 /nfs/dbraw/zinc/93/72/49/626937249.db2.gz ZWBVVHCGHKJDAG-INIZCTEOSA-N 0 0 301.390 3.241 20 10 DGCDRN CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(C)cc(Br)c2[O-])C1 ZINC000809692786 626937358 /nfs/dbraw/zinc/93/73/58/626937358.db2.gz GWSBYUBMRUYELP-TXEJJXNPSA-N 0 0 314.223 3.072 20 10 DGCDRN C[S@](=O)Cc1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000809718385 626941239 /nfs/dbraw/zinc/94/12/39/626941239.db2.gz JFVVZYCUTSOPIG-NRFANRHFSA-N 0 0 323.845 3.214 20 10 DGCDRN C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1c([O-])ccc(Cl)c1F ZINC000809724117 626942020 /nfs/dbraw/zinc/94/20/20/626942020.db2.gz DYZXHTPPQUKPCV-SMDDNHRTSA-N 0 0 312.816 3.243 20 10 DGCDRN COC(=O)c1cccc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])c1 ZINC000809729373 626942441 /nfs/dbraw/zinc/94/24/41/626942441.db2.gz GADSRNWDXRKEGO-UHFFFAOYSA-N 0 0 323.751 3.261 20 10 DGCDRN COc1cccc(CNCc2occc2Br)c1O ZINC000809740198 626944263 /nfs/dbraw/zinc/94/42/63/626944263.db2.gz OOOSNPXEMLNZKA-UHFFFAOYSA-N 0 0 312.163 3.046 20 10 DGCDRN Oc1c(F)cc(Cl)cc1CNc1ccc(C2(O)COC2)cc1 ZINC000809781461 626952380 /nfs/dbraw/zinc/95/23/80/626952380.db2.gz SHCKPDRIVRYGTN-UHFFFAOYSA-N 0 0 323.751 3.015 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])[C@@H](O)c1ccccc1 ZINC000809786745 626952910 /nfs/dbraw/zinc/95/29/10/626952910.db2.gz JYBKEOMHBUEHND-ZUZCIYMTSA-N 0 0 309.768 3.396 20 10 DGCDRN Cc1cccc(CN2C[C@@H](C)C(=O)N(C)c3ccccc32)c1O ZINC000809786288 626953123 /nfs/dbraw/zinc/95/31/23/626953123.db2.gz WSJBAYYFTAGJFH-CQSZACIVSA-N 0 0 310.397 3.320 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])[C@H](O)c1ccccc1 ZINC000809786742 626953315 /nfs/dbraw/zinc/95/33/15/626953315.db2.gz JYBKEOMHBUEHND-BMIGLBTASA-N 0 0 309.768 3.396 20 10 DGCDRN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCCc3occc3C2)c1[O-] ZINC000809793227 626954621 /nfs/dbraw/zinc/95/46/21/626954621.db2.gz UQJKAETVXCZLRX-UHFFFAOYSA-N 0 0 322.748 3.495 20 10 DGCDRN CN(C)c1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000810001750 626967591 /nfs/dbraw/zinc/96/75/91/626967591.db2.gz KVUPARNYUOTOQY-IBGZPJMESA-N 0 0 324.424 3.325 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCCSC2)cc1 ZINC000810164500 626982983 /nfs/dbraw/zinc/98/29/83/626982983.db2.gz ILPZDTWNVDHZLD-HNNXBMFYSA-N 0 0 306.475 3.292 20 10 DGCDRN CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000810257056 626993891 /nfs/dbraw/zinc/99/38/91/626993891.db2.gz GQQRLOJFGBESKX-IWSPIJDZSA-N 0 0 320.202 3.368 20 10 DGCDRN CCc1nnc(CN[C@@H](CC)c2ccc(N(C)C)cc2)s1 ZINC000810259124 626993959 /nfs/dbraw/zinc/99/39/59/626993959.db2.gz BSNSSXXBUKQYTL-AWEZNQCLSA-N 0 0 304.463 3.407 20 10 DGCDRN Cc1cc(C(=O)CSCCCO)c(C)n1-c1ccccc1 ZINC000840212941 627058210 /nfs/dbraw/zinc/05/82/10/627058210.db2.gz PTVSZLFEPVYGGM-UHFFFAOYSA-N 0 0 303.427 3.392 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1c([O-])cccc1F ZINC000886489497 627151991 /nfs/dbraw/zinc/15/19/91/627151991.db2.gz KHYUXJLOAMIQGH-NWDGAFQWSA-N 0 0 303.333 3.022 20 10 DGCDRN C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1c([O-])cccc1F ZINC000886532235 627158115 /nfs/dbraw/zinc/15/81/15/627158115.db2.gz GHLNWSCPQOMCET-NSHDSACASA-N 0 0 304.321 3.333 20 10 DGCDRN COc1ccc([C@H](CCO)[NH2+][C@@H](C)c2c([O-])cccc2F)cc1 ZINC000886543493 627160615 /nfs/dbraw/zinc/16/06/15/627160615.db2.gz PSIXCZJEJUFXLB-LRDDRELGSA-N 0 0 319.376 3.314 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)[C@H](O)c1cccc(F)c1 ZINC000886550156 627161144 /nfs/dbraw/zinc/16/11/44/627161144.db2.gz TUBJWYYJKLYKPK-RVPKQNPDSA-N 0 0 307.340 3.443 20 10 DGCDRN COC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2c([O-])cccc2F)CC1 ZINC000886594557 627169489 /nfs/dbraw/zinc/16/94/89/627169489.db2.gz OYOTYWVEBNAOGQ-NWDGAFQWSA-N 0 0 324.396 3.049 20 10 DGCDRN Cc1cccc(C[C@@H](CO)[NH2+][C@@H](C)c2c([O-])cccc2F)c1 ZINC000886596536 627169804 /nfs/dbraw/zinc/16/98/04/627169804.db2.gz HOCDMLQXECUSJM-ZFWWWQNUSA-N 0 0 303.377 3.094 20 10 DGCDRN C[C@H](C[NH2+][C@H](C)c1c([O-])cccc1F)NC(=O)OC(C)(C)C ZINC000886603110 627171302 /nfs/dbraw/zinc/17/13/02/627171302.db2.gz HKHZKOXYYANVLT-GHMZBOCLSA-N 0 0 312.385 3.095 20 10 DGCDRN C[C@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1c([O-])cccc1F ZINC000886606528 627171785 /nfs/dbraw/zinc/17/17/85/627171785.db2.gz ANWUQYJQPJHPEL-ZFWWWQNUSA-N 0 0 303.377 3.176 20 10 DGCDRN C[C@H]([NH2+][C@H](CCO)Cc1ccccc1)c1c([O-])cccc1F ZINC000886606525 627171824 /nfs/dbraw/zinc/17/18/24/627171824.db2.gz ANWUQYJQPJHPEL-DZGCQCFKSA-N 0 0 303.377 3.176 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1c([O-])cccc1F ZINC000886620133 627174927 /nfs/dbraw/zinc/17/49/27/627174927.db2.gz CJMSTNKOUMCJHN-QEORTHHSSA-N 0 0 316.376 3.497 20 10 DGCDRN C[C@@H]([NH2+]C[C@]1(CO)CCc2ccccc21)c1c([O-])cccc1F ZINC000886631884 627177311 /nfs/dbraw/zinc/17/73/11/627177311.db2.gz YMZDCVOOQRDKSC-YJYMSZOUSA-N 0 0 315.388 3.058 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)[C@H]2C)O1)c1c([O-])cccc1F ZINC000886769545 627202930 /nfs/dbraw/zinc/20/29/30/627202930.db2.gz WUKFAFRYIWBRRQ-RRLOCTAFSA-N 0 0 323.408 3.155 20 10 DGCDRN CC[C@@H](N[C@@H](CCO)C(F)(F)F)c1cc(Cl)ccc1O ZINC000886801663 627206158 /nfs/dbraw/zinc/20/61/58/627206158.db2.gz QPAGPQJEZANUCE-PWSUYJOCSA-N 0 0 311.731 3.400 20 10 DGCDRN CCN(CC)c1ccc(CN2CCNC(=O)c3ccccc32)cc1 ZINC000811508549 627283362 /nfs/dbraw/zinc/28/33/62/627283362.db2.gz WCUKFBBXCOMDRD-UHFFFAOYSA-N 0 0 323.440 3.283 20 10 DGCDRN COc1ccc2c(c1)CCCCN2Cc1cc(C(N)=O)cs1 ZINC000811508441 627283480 /nfs/dbraw/zinc/28/34/80/627283480.db2.gz QGDXDTPGPXNBHJ-UHFFFAOYSA-N 0 0 316.426 3.199 20 10 DGCDRN CCc1cccc(NC(=S)NCc2ncccc2N(C)C)c1 ZINC000811709909 627309394 /nfs/dbraw/zinc/30/93/94/627309394.db2.gz RQZVYPZYEREMQJ-UHFFFAOYSA-N 0 0 314.458 3.197 20 10 DGCDRN COc1ccc2c(c1)CCCN2CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000811757292 627317830 /nfs/dbraw/zinc/31/78/30/627317830.db2.gz CNNYLRNENJCSDS-QGZVFWFLSA-N 0 0 314.429 3.052 20 10 DGCDRN CCc1nc(Cl)c(C)c(NCc2cc(OC)ccc2O)n1 ZINC000811805005 627323230 /nfs/dbraw/zinc/32/32/30/627323230.db2.gz HDAKDTCGXRLLFY-UHFFFAOYSA-N 0 0 307.781 3.327 20 10 DGCDRN COc1ccc(O)c(CNc2nc(-c3ccc(C)cc3)no2)c1 ZINC000811805149 627323358 /nfs/dbraw/zinc/32/33/58/627323358.db2.gz KTZNNBMLNFFTCZ-UHFFFAOYSA-N 0 0 311.341 3.371 20 10 DGCDRN CSc1cncc(NCc2c(O)ccc3c2CCCC3)n1 ZINC000811808314 627323859 /nfs/dbraw/zinc/32/38/59/627323859.db2.gz DEIMKNKQOBOOCS-UHFFFAOYSA-N 0 0 301.415 3.395 20 10 DGCDRN CCOc1ccc(CNc2ccc(C(F)(F)F)nn2)c(O)c1 ZINC000811838434 627327776 /nfs/dbraw/zinc/32/77/76/627327776.db2.gz INDZTKOWQVPWKO-UHFFFAOYSA-N 0 0 313.279 3.212 20 10 DGCDRN CC(C)Oc1ccc(NCc2ccc(N(C)C)c(F)c2)nn1 ZINC000811839801 627328368 /nfs/dbraw/zinc/32/83/68/627328368.db2.gz QUZKMPIDKZRCAZ-UHFFFAOYSA-N 0 0 304.369 3.081 20 10 DGCDRN Oc1cc2c(cc1CN1CCn3c(cc4ccccc43)C1)OCO2 ZINC000812300713 627368993 /nfs/dbraw/zinc/36/89/93/627368993.db2.gz VWTJZNBWJYWLIX-UHFFFAOYSA-N 0 0 322.364 3.091 20 10 DGCDRN CO[C@@H](C)[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000812347849 627373450 /nfs/dbraw/zinc/37/34/50/627373450.db2.gz PFNZCSAQFNVQRV-OCCSQVGLSA-N 0 0 318.392 3.386 20 10 DGCDRN COC[C@@H](C)[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000812461125 627389434 /nfs/dbraw/zinc/38/94/34/627389434.db2.gz HQNCZOABJGSDDG-HUUCEWRRSA-N 0 0 318.461 3.162 20 10 DGCDRN COC[C@H](C)[C@H](C)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000812486286 627391280 /nfs/dbraw/zinc/39/12/80/627391280.db2.gz IZBWEAGBTHORQE-HOTGVXAUSA-N 0 0 318.461 3.212 20 10 DGCDRN CCn1cc(Cl)c(NC(=O)N[C@@H](C)c2ccccc2O)n1 ZINC000889570015 627439657 /nfs/dbraw/zinc/43/96/57/627439657.db2.gz MTMRKTGMXVNOJN-VIFPVBQESA-N 0 0 308.769 3.145 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCCCF ZINC000813224442 627469417 /nfs/dbraw/zinc/46/94/17/627469417.db2.gz NTCAPHYROOZNED-UHFFFAOYSA-N 0 0 309.429 3.422 20 10 DGCDRN C[C@H](Nc1nc(C2CCOCC2)no1)c1ccc(N(C)C)cc1 ZINC000840287959 627480649 /nfs/dbraw/zinc/48/06/49/627480649.db2.gz BPTKITKLMRZDLD-LBPRGKRZSA-N 0 0 316.405 3.203 20 10 DGCDRN COc1cncnc1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000813378505 627484585 /nfs/dbraw/zinc/48/45/85/627484585.db2.gz QKKYYZNLHYPRAO-UHFFFAOYSA-N 0 0 322.368 3.145 20 10 DGCDRN Cn1cnc2cccc(C(=O)Nc3cccc(N4CCCC4)c3)c21 ZINC000813397865 627486310 /nfs/dbraw/zinc/48/63/10/627486310.db2.gz KFTSLYZMNMIIND-UHFFFAOYSA-N 0 0 320.396 3.426 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCCCCC(=O)C2)cc1F ZINC000813429642 627489334 /nfs/dbraw/zinc/48/93/34/627489334.db2.gz IPGWVTQZVALCKE-AWEZNQCLSA-N 0 0 320.408 3.047 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)C2(C(F)F)CCCC2)c1 ZINC000813489017 627493260 /nfs/dbraw/zinc/49/32/60/627493260.db2.gz LOHFDRWROPDUOH-JTQLQIEISA-N 0 0 313.344 3.404 20 10 DGCDRN CCC(CC)(C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])OC ZINC000813792930 627511949 /nfs/dbraw/zinc/51/19/49/627511949.db2.gz DPGRMDGHFWJKER-UHFFFAOYSA-N 0 0 316.785 3.249 20 10 DGCDRN OC[C@H]1Cc2ccccc2N(Cc2cc(Cl)ccc2O)C1 ZINC000814169827 627545890 /nfs/dbraw/zinc/54/58/90/627545890.db2.gz NDWYCFGOXBBPKS-LBPRGKRZSA-N 0 0 303.789 3.217 20 10 DGCDRN OC[C@@H]1Cc2ccccc2N(Cc2c(O)ccc(Cl)c2F)C1 ZINC000814169720 627546106 /nfs/dbraw/zinc/54/61/06/627546106.db2.gz LTTKDVLFNKUPIA-LLVKDONJSA-N 0 0 321.779 3.356 20 10 DGCDRN CC1(C)CN(Cc2cc(F)ccc2O)C[C@H](C(F)(F)F)O1 ZINC000814176618 627546701 /nfs/dbraw/zinc/54/67/01/627546701.db2.gz SJMCIMHPZCNIPY-GFCCVEGCSA-N 0 0 307.287 3.073 20 10 DGCDRN COCc1ccccc1C=C(C)C=C1SC(=S)NC1=O ZINC000814187093 627548628 /nfs/dbraw/zinc/54/86/28/627548628.db2.gz ZENAKCQFFHKOAB-OOHIBURESA-N 0 0 305.424 3.268 20 10 DGCDRN CN(C)c1ccc(CNc2ccc(F)c(NC(N)=O)c2)cc1F ZINC000814300030 627557731 /nfs/dbraw/zinc/55/77/31/627557731.db2.gz GBYKUMCVQDVWCM-UHFFFAOYSA-N 0 0 320.343 3.134 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CC3CCC2CC3)cc1F ZINC000814312525 627558309 /nfs/dbraw/zinc/55/83/09/627558309.db2.gz JHBLSUXNPQFMNQ-PESDSKBTSA-N 0 0 304.409 3.334 20 10 DGCDRN COc1ccc(N(CC(N)=O)Cc2ccc(C(C)C)cc2)cc1 ZINC000010504853 627577754 /nfs/dbraw/zinc/57/77/54/627577754.db2.gz OVRQUCJONJZLDU-UHFFFAOYSA-N 0 0 312.413 3.311 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1cncs1 ZINC000814640754 627580949 /nfs/dbraw/zinc/58/09/49/627580949.db2.gz QOJGORUVHJLVAQ-UHFFFAOYSA-N 0 0 317.458 3.190 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC[C@H](OC)C1 ZINC000814640631 627581012 /nfs/dbraw/zinc/58/10/12/627581012.db2.gz MRSODCQPKXBDNC-WMZOPIPTSA-N 0 0 318.461 3.306 20 10 DGCDRN C[C@H]1CC(C)(C)CN1C(=O)NCCCSc1nccs1 ZINC000840324627 627581302 /nfs/dbraw/zinc/58/13/02/627581302.db2.gz GHOXREXJUXPJMK-NSHDSACASA-N 0 0 313.492 3.455 20 10 DGCDRN Cc1cccc(NCc2cc(F)c(N3CCOCC3)c(F)c2)n1 ZINC000840326822 627603085 /nfs/dbraw/zinc/60/30/85/627603085.db2.gz XQSJPANLCRAUAS-UHFFFAOYSA-N 0 0 319.355 3.117 20 10 DGCDRN COC(=O)c1ccc2c(c1)CN(Cc1ccc(N(C)C)c(C)c1)C2 ZINC000815042444 627618079 /nfs/dbraw/zinc/61/80/79/627618079.db2.gz JEVWHBWWXGCDRG-UHFFFAOYSA-N 0 0 324.424 3.363 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCCC[C@H]2OC)cc1 ZINC000815052408 627619358 /nfs/dbraw/zinc/61/93/58/627619358.db2.gz NMHYTOPSASRJFT-ZWKOTPCHSA-N 0 0 318.461 3.354 20 10 DGCDRN CCC1(CC)CN(Cc2ccc(N(C)C)c(C)c2)CC[S@]1=O ZINC000815094930 627625737 /nfs/dbraw/zinc/62/57/37/627625737.db2.gz PTJQREQDHWOIIO-JOCHJYFZSA-N 0 0 322.518 3.184 20 10 DGCDRN Cc1cc(CN2CC(=O)N(C)[C@@H]2c2ccccc2)ccc1N(C)C ZINC000815100781 627626711 /nfs/dbraw/zinc/62/67/11/627626711.db2.gz UYEYMNAJIQNGNY-FQEVSTJZSA-N 0 0 323.440 3.034 20 10 DGCDRN Cc1nc2c(o1)CCC[C@H]2NCc1ccc(N(C)C)c(F)c1 ZINC000924861529 627688387 /nfs/dbraw/zinc/68/83/87/627688387.db2.gz KLAZQHVISISKHG-CQSZACIVSA-N 0 0 303.381 3.355 20 10 DGCDRN C[C@H]([NH2+]CC1(CCO)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815618322 627691649 /nfs/dbraw/zinc/69/16/49/627691649.db2.gz JIICJZQBGRWWIL-JTQLQIEISA-N 0 0 303.324 3.224 20 10 DGCDRN CC(=O)c1cc(C(=O)NCc2ccc(N(C)C)cc2C)cs1 ZINC000815630031 627692857 /nfs/dbraw/zinc/69/28/57/627692857.db2.gz VFBPAUYPIPUZMW-UHFFFAOYSA-N 0 0 316.426 3.255 20 10 DGCDRN C[C@@H](Nc1ccc(F)c(NC(N)=O)c1)c1cc(F)ccc1O ZINC000815631693 627692920 /nfs/dbraw/zinc/69/29/20/627692920.db2.gz NVAWKRXRYQZANF-MRVPVSSYSA-N 0 0 307.300 3.334 20 10 DGCDRN C[C@H]([NH2+]C[C@H](CO)C1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000815648712 627694652 /nfs/dbraw/zinc/69/46/52/627694652.db2.gz UONAJKBKEHYNHE-GXTWGEPZSA-N 0 0 322.405 3.140 20 10 DGCDRN O=C(c1cc(F)c[nH]1)N(Cc1ccco1)Cc1ccccc1O ZINC000815797005 627704643 /nfs/dbraw/zinc/70/46/43/627704643.db2.gz XDEGFKBVRLPCPJ-UHFFFAOYSA-N 0 0 314.316 3.295 20 10 DGCDRN CO[C@H]1CCC[C@@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000815835732 627706915 /nfs/dbraw/zinc/70/69/15/627706915.db2.gz DAFCHZRLZGYMPM-CABCVRRESA-N 0 0 317.429 3.092 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2csc(C(C)=O)c2)c1 ZINC000815835308 627707099 /nfs/dbraw/zinc/70/70/99/627707099.db2.gz PEEPIVURLMETRD-SECBINFHSA-N 0 0 319.382 3.156 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)C1CC(c2ccc(F)cc2)C1 ZINC000815836277 627707117 /nfs/dbraw/zinc/70/71/17/627707117.db2.gz XHGPTDUIHXKUCV-UHFFFAOYSA-N 0 0 315.344 3.047 20 10 DGCDRN CO[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000816180108 627749803 /nfs/dbraw/zinc/74/98/03/627749803.db2.gz FTDKIHATECDHLD-RRQGHBQHSA-N 0 0 304.434 3.135 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)CCCF)c1 ZINC000925558147 627754294 /nfs/dbraw/zinc/75/42/94/627754294.db2.gz NPZPCUFECRELAX-UHFFFAOYSA-N 0 0 316.376 3.338 20 10 DGCDRN Oc1c(CN2CCN(CC(F)(F)F)CC2)ccc2ccccc21 ZINC000816483598 627796211 /nfs/dbraw/zinc/79/62/11/627796211.db2.gz XUNUCNBKJBCWBN-UHFFFAOYSA-N 0 0 324.346 3.225 20 10 DGCDRN COC(=O)C[N@H+](Cc1cc(Cl)c(F)cc1[O-])C1CCCC1 ZINC000816516088 627800255 /nfs/dbraw/zinc/80/02/55/627800255.db2.gz UWHJYFFDLHMLBB-UHFFFAOYSA-N 0 0 315.772 3.102 20 10 DGCDRN Cn1cc(C[C@H]2CC[N@H+](Cc3ccc4ccccc4c3O)C2)cn1 ZINC000816519454 627801604 /nfs/dbraw/zinc/80/16/04/627801604.db2.gz JQLGHNRRXSYVGH-OAHLLOKOSA-N 0 0 321.424 3.344 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000816528636 627802560 /nfs/dbraw/zinc/80/25/60/627802560.db2.gz KYNJKPKJESIBRQ-UHFFFAOYSA-N 0 0 309.724 3.203 20 10 DGCDRN C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816550441 627805824 /nfs/dbraw/zinc/80/58/24/627805824.db2.gz RCUXXEIFFLTUPY-BZNIZROVSA-N 0 0 323.795 3.439 20 10 DGCDRN Cc1ncc2c(n1)CCC[C@H]2[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816550549 627806159 /nfs/dbraw/zinc/80/61/59/627806159.db2.gz UQNPOYOTOCBQRP-CQSZACIVSA-N 0 0 321.783 3.450 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H](CCO)c1cccs1 ZINC000816552498 627806396 /nfs/dbraw/zinc/80/63/96/627806396.db2.gz NZTXHBPZQBNBJU-LBPRGKRZSA-N 0 0 315.797 3.460 20 10 DGCDRN CC1(C)[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])[C@@H]2CCCO[C@@H]21 ZINC000816555146 627806909 /nfs/dbraw/zinc/80/69/09/627806909.db2.gz VJZZNZPZNUWYFT-VQISRLSMSA-N 0 0 313.800 3.478 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@@H](O)Cc1ccccc1 ZINC000816558120 627807304 /nfs/dbraw/zinc/80/73/04/627807304.db2.gz NULKTMDGAZDLIS-BZNIZROVSA-N 0 0 323.795 3.266 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCc1cnc(C2CC2)nc1 ZINC000816559234 627807520 /nfs/dbraw/zinc/80/75/20/627807520.db2.gz CFSLRXREGUBLIZ-UHFFFAOYSA-N 0 0 321.783 3.184 20 10 DGCDRN Cc1cccc(NCC[NH2+]Cc2cc(Cl)c(F)cc2[O-])n1 ZINC000816563124 627808056 /nfs/dbraw/zinc/80/80/56/627808056.db2.gz LFIFICHPKBLEDV-UHFFFAOYSA-N 0 0 309.772 3.090 20 10 DGCDRN CC(C)Cn1ccnc1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816563126 627808451 /nfs/dbraw/zinc/80/84/51/627808451.db2.gz LFSXTKICJPNMPO-UHFFFAOYSA-N 0 0 311.788 3.327 20 10 DGCDRN Cn1c(=O)oc2ccc(NCc3cc(Cl)c(F)cc3O)cc21 ZINC000816564055 627808563 /nfs/dbraw/zinc/80/85/63/627808563.db2.gz SGFFFAJFKQOQPL-UHFFFAOYSA-N 0 0 322.723 3.242 20 10 DGCDRN C[C@H](CCO)C1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCC1 ZINC000816560527 627808590 /nfs/dbraw/zinc/80/85/90/627808590.db2.gz RKRDLNODYCATAQ-LLVKDONJSA-N 0 0 315.816 3.463 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000816566344 627809135 /nfs/dbraw/zinc/80/91/35/627809135.db2.gz RTOUVSNTLRCJPW-VIFPVBQESA-N 0 0 309.715 3.388 20 10 DGCDRN CO[C@H](CC[NH2+]Cc1cc(Cl)c(F)cc1[O-])C(F)(F)F ZINC000816588305 627811928 /nfs/dbraw/zinc/81/19/28/627811928.db2.gz KPAYXYAIHBJPMH-LLVKDONJSA-N 0 0 315.694 3.242 20 10 DGCDRN CCS(=O)(CC)=NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000925894369 627813867 /nfs/dbraw/zinc/81/38/67/627813867.db2.gz XLXNEBABWVQWKW-UHFFFAOYSA-N 0 0 319.430 3.137 20 10 DGCDRN COc1c([O-])c(C[NH2+]CC(C)(C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000816618630 627815756 /nfs/dbraw/zinc/81/57/56/627815756.db2.gz DBVFABZMGLHLMU-UHFFFAOYSA-N 0 0 310.394 3.471 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CC(C)(C)[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000816624848 627816445 /nfs/dbraw/zinc/81/64/45/627816445.db2.gz JMHQAFLPIJJEBH-HNNXBMFYSA-N 0 0 308.378 3.175 20 10 DGCDRN CC(=O)c1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1O ZINC000816890377 627837243 /nfs/dbraw/zinc/83/72/43/627837243.db2.gz INSLTCPEAGMJRE-UHFFFAOYSA-N 0 0 324.380 3.447 20 10 DGCDRN Cc1cc(C(=O)N=[S@@](C)(=O)C(C)C)c(C)n1-c1ccccn1 ZINC000926068520 627837538 /nfs/dbraw/zinc/83/75/38/627837538.db2.gz QUJCQSKQTICUNA-QFIPXVFZSA-N 0 0 319.430 3.136 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](c1ccccc1)C(F)F ZINC000817224689 627867087 /nfs/dbraw/zinc/86/70/87/627867087.db2.gz WBOKAFWFMBTLNR-DZFYGRHCSA-N 0 0 319.307 3.234 20 10 DGCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2CC[C@@H]1CCOC1=O ZINC000817299130 627879785 /nfs/dbraw/zinc/87/97/85/627879785.db2.gz VNKPZOOUJICHIT-GDBMZVCRSA-N 0 0 317.429 3.283 20 10 DGCDRN COc1ccc(OC)c(NCc2cc(OC)c(OC)cc2O)c1 ZINC000817405530 627893706 /nfs/dbraw/zinc/89/37/06/627893706.db2.gz FXVAYLJWTAXLCJ-UHFFFAOYSA-N 0 0 319.357 3.039 20 10 DGCDRN Cc1cccc(CNc2ccc(C(N)=O)cc2OC(C)C)c1O ZINC000817418433 627898005 /nfs/dbraw/zinc/89/80/05/627898005.db2.gz QOQCRKOLLSTQRR-UHFFFAOYSA-N 0 0 314.385 3.199 20 10 DGCDRN CCCc1[nH]ccc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000817523566 627915977 /nfs/dbraw/zinc/91/59/77/627915977.db2.gz DGJTZFVMIKTLTE-UHFFFAOYSA-N 0 0 303.381 3.102 20 10 DGCDRN c1csc(SCc2cccc(CN3CCOCC3)c2)n1 ZINC000817581085 627924669 /nfs/dbraw/zinc/92/46/69/627924669.db2.gz NBXZIQIGOZOBEE-UHFFFAOYSA-N 0 0 306.456 3.268 20 10 DGCDRN CON1CCC([NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])CC1 ZINC000817588379 627927341 /nfs/dbraw/zinc/92/73/41/627927341.db2.gz ONEHEJNRNILIEM-VIFPVBQESA-N 0 0 319.232 3.375 20 10 DGCDRN CON1CCC([NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000817588133 627927435 /nfs/dbraw/zinc/92/74/35/627927435.db2.gz LZPGKUHNOZXGQO-SNVBAGLBSA-N 0 0 318.339 3.087 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cc(C)nc(C)c2)c1 ZINC000817589414 627927523 /nfs/dbraw/zinc/92/75/23/627927523.db2.gz NMTXHDIGKCHGRK-ZDUSSCGKSA-N 0 0 314.385 3.041 20 10 DGCDRN Cc1ccc(C(=O)N2CCC[C@H](CC(F)(F)F)C2)c(O)c1O ZINC000817634106 627932390 /nfs/dbraw/zinc/93/23/90/627932390.db2.gz XGBOZZKLIRVJTN-SNVBAGLBSA-N 0 0 317.307 3.211 20 10 DGCDRN CCc1cc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)nn1C ZINC000817687970 627935261 /nfs/dbraw/zinc/93/52/61/627935261.db2.gz QHVUXIBNHOTLHM-UHFFFAOYSA-N 0 0 323.400 3.037 20 10 DGCDRN COc1ccc(CC(=O)Oc2ccc3c(c2)c(C)c(C)n3C)nc1 ZINC000817760451 627946748 /nfs/dbraw/zinc/94/67/48/627946748.db2.gz BTAXFKXQSHVEET-UHFFFAOYSA-N 0 0 324.380 3.347 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1 ZINC000817881735 627952301 /nfs/dbraw/zinc/95/23/01/627952301.db2.gz NWQJVHQESOYSDF-GDBMZVCRSA-N 0 0 304.434 3.075 20 10 DGCDRN CC(C)CCNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817905437 627958330 /nfs/dbraw/zinc/95/83/30/627958330.db2.gz NDTANLNCQFDZFO-UHFFFAOYSA-N 0 0 303.431 3.092 20 10 DGCDRN C[C@@H](C1CC1)N(C)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817917254 627961571 /nfs/dbraw/zinc/96/15/71/627961571.db2.gz NRDSRPCSQPMVRH-NSHDSACASA-N 0 0 315.442 3.187 20 10 DGCDRN CC[C@@H]([NH2+][C@H]1CCCNC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817940845 627969055 /nfs/dbraw/zinc/96/90/55/627969055.db2.gz LGBILDZLUCIXJL-JOYOIKCWSA-N 0 0 303.233 3.492 20 10 DGCDRN C[C@@H]1CC[C@@H](C)N1C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817960289 627976050 /nfs/dbraw/zinc/97/60/50/627976050.db2.gz LRNNLABSDWRTCY-VXGBXAGGSA-N 0 0 315.442 3.329 20 10 DGCDRN C[C@@H](NCC(F)(F)CN)c1ccc(N2CCCCCC2)cc1 ZINC000817965827 627978054 /nfs/dbraw/zinc/97/80/54/627978054.db2.gz CPLWEXUMTJCNSG-CQSZACIVSA-N 0 0 311.420 3.312 20 10 DGCDRN C[C@H]([NH2+][C@H]1CNCC[C@@H]1C)c1cccc(C(F)(F)F)c1[O-] ZINC000817969026 627978428 /nfs/dbraw/zinc/97/84/28/627978428.db2.gz PQMOSSFGIPUGEW-KWBADKCTSA-N 0 0 302.340 3.060 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CNCC[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817968766 627978943 /nfs/dbraw/zinc/97/89/43/627978943.db2.gz MBVRPDBONKOVEK-VDDIYKPWSA-N 0 0 303.233 3.348 20 10 DGCDRN CC[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)c1cccc(Cl)c1[O-] ZINC000817979778 627981799 /nfs/dbraw/zinc/98/17/99/627981799.db2.gz FDNSNBMUPKRNKY-VXGBXAGGSA-N 0 0 304.768 3.084 20 10 DGCDRN C[C@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1c([O-])cccc1F ZINC000926959316 627989587 /nfs/dbraw/zinc/98/95/87/627989587.db2.gz RHONCEPLKLKZMH-CABZTGNLSA-N 0 0 308.319 3.065 20 10 DGCDRN Cc1cnc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(C)c1 ZINC000926958392 627990148 /nfs/dbraw/zinc/99/01/48/627990148.db2.gz DEKWEBDYAQQVOD-GFCCVEGCSA-N 0 0 301.346 3.163 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1CCCC2(CCC2)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927009380 627996847 /nfs/dbraw/zinc/99/68/47/627996847.db2.gz CMVSIXUSUYNEQZ-TZMCWYRMSA-N 0 0 320.389 3.443 20 10 DGCDRN COC(=O)c1cnc([C@@H](C)N[C@H](C)c2cc(C)ccc2O)s1 ZINC000818357294 628017988 /nfs/dbraw/zinc/01/79/88/628017988.db2.gz YLMVHZQZPDLTQN-GHMZBOCLSA-N 0 0 320.414 3.356 20 10 DGCDRN C[C@H](NCc1nc2c(s1)COCC2)c1ccc(N(C)C)cc1 ZINC000927117857 628019408 /nfs/dbraw/zinc/01/94/08/628019408.db2.gz QUAUNGCZBSGKIK-LBPRGKRZSA-N 0 0 317.458 3.133 20 10 DGCDRN C[C@H](NC(=O)NC[C@H]1CCCC2(CCC2)O1)c1ccccc1O ZINC000927174314 628032066 /nfs/dbraw/zinc/03/20/66/628032066.db2.gz LGMITBJIZVZZQF-UONOGXRCSA-N 0 0 318.417 3.244 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCSC2(CCC2)C1 ZINC000927259298 628039987 /nfs/dbraw/zinc/03/99/87/628039987.db2.gz QAKLMXRIZYDBCU-CQSZACIVSA-N 0 0 320.458 3.352 20 10 DGCDRN CC(C)(CC[NH2+]Cc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000818629200 628045065 /nfs/dbraw/zinc/04/50/65/628045065.db2.gz VSGUHLYHCWTWAC-UHFFFAOYSA-N 0 0 304.434 3.267 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])cc1 ZINC000818631644 628045581 /nfs/dbraw/zinc/04/55/81/628045581.db2.gz MBZGLEMQJZAWCP-RHSMWYFYSA-N 0 0 304.434 3.218 20 10 DGCDRN COc1ccc(N2CCN(C(=O)[C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000819003190 628076178 /nfs/dbraw/zinc/07/61/78/628076178.db2.gz AOXODRTXTLSBSZ-MAUKXSAKSA-N 0 0 316.445 3.170 20 10 DGCDRN O=C(NCc1ccc(N2CCSCC2)cc1)C(F)=C1CCC1 ZINC000819127284 628096780 /nfs/dbraw/zinc/09/67/80/628096780.db2.gz WTWNLGFXFSTCKW-UHFFFAOYSA-N 0 0 320.433 3.264 20 10 DGCDRN O=C1CN(Cc2ccccc2O)C(=O)N1CCC1CCCCC1 ZINC000819165193 628103719 /nfs/dbraw/zinc/10/37/19/628103719.db2.gz PTXWERCVNYHRGV-UHFFFAOYSA-N 0 0 316.401 3.127 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@H](C(=O)[O-])C(C)C)cc1 ZINC000819164925 628104180 /nfs/dbraw/zinc/10/41/80/628104180.db2.gz XPLUINFUFHZECB-WMLDXEAASA-N 0 0 306.450 3.368 20 10 DGCDRN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000928040487 628109331 /nfs/dbraw/zinc/10/93/31/628109331.db2.gz PUGNRKIPCOXTSU-CZULRBLNSA-N 0 0 303.383 3.087 20 10 DGCDRN CCCOc1ccccc1NC[C@@H](O)COCc1ccco1 ZINC000819399404 628148082 /nfs/dbraw/zinc/14/80/82/628148082.db2.gz UTIRUZQWHHJMJD-CQSZACIVSA-N 0 0 305.374 3.058 20 10 DGCDRN COCCCOc1ccccc1NC[C@H](O)Cc1ccccc1 ZINC000819421433 628152231 /nfs/dbraw/zinc/15/22/31/628152231.db2.gz JDQNQWMQFUBKOZ-QGZVFWFLSA-N 0 0 315.413 3.117 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)Nc1nnc(C(F)F)o1 ZINC000840384013 628153229 /nfs/dbraw/zinc/15/32/29/628153229.db2.gz DFBUAWLRKLQBJE-JTQLQIEISA-N 0 0 310.348 3.425 20 10 DGCDRN COCc1cc(N[C@H](C)Cc2ccc(N(C)C)cc2C)ncn1 ZINC000840384299 628154033 /nfs/dbraw/zinc/15/40/33/628154033.db2.gz HBIWGCWQYGZZSK-CQSZACIVSA-N 0 0 314.433 3.041 20 10 DGCDRN Cc1ccc(OC[C@H](O)CNc2ccccc2OCCF)cc1 ZINC000819489355 628163082 /nfs/dbraw/zinc/16/30/82/628163082.db2.gz UCVYQDVWUGFTPC-OAHLLOKOSA-N 0 0 319.376 3.195 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNC(=O)CCC(C)(C)C)C2)cc1 ZINC000819584943 628171451 /nfs/dbraw/zinc/17/14/51/628171451.db2.gz VCFDQRGSBYDXEH-HNNXBMFYSA-N 0 0 318.461 3.464 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CC[C@H](C)C3)C2)cc1 ZINC000819585848 628171459 /nfs/dbraw/zinc/17/14/59/628171459.db2.gz IPMFNZRLGCMWQN-ARFHVFGLSA-N 0 0 316.445 3.074 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3ccsc3)C2)cc1 ZINC000819580390 628171507 /nfs/dbraw/zinc/17/15/07/628171507.db2.gz IXHWBNPIWAWIRJ-ZDUSSCGKSA-N 0 0 316.426 3.013 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@@H](C)C(C)(C)C)C2)cc1 ZINC000819584475 628171552 /nfs/dbraw/zinc/17/15/52/628171552.db2.gz KDSCSDVXAHDGFY-HUUCEWRRSA-N 0 0 318.461 3.320 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNC(=O)[C@H](C)C3CCC3)C2)cc1 ZINC000819586526 628171587 /nfs/dbraw/zinc/17/15/87/628171587.db2.gz ANANYYVWARXLAX-CABCVRRESA-N 0 0 316.445 3.074 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNC(=O)C(C)(C)C(C)C)C2)cc1 ZINC000819590814 628172276 /nfs/dbraw/zinc/17/22/76/628172276.db2.gz ZQAYLIJCZRHICT-HNNXBMFYSA-N 0 0 318.461 3.320 20 10 DGCDRN C[C@H](OC1CCCCCC1)C(=O)NCc1c(O)cccc1F ZINC000928705192 628179226 /nfs/dbraw/zinc/17/92/26/628179226.db2.gz HAMKFIWGNIHUDX-LBPRGKRZSA-N 0 0 309.381 3.275 20 10 DGCDRN O=C(CCC[C@@H](O)c1ccccc1)NCc1c(O)cccc1F ZINC000928706980 628179670 /nfs/dbraw/zinc/17/96/70/628179670.db2.gz ZEMGKRJKJCPRHU-MRXNPFEDSA-N 0 0 317.360 3.051 20 10 DGCDRN CCC[C@H](C(=O)NCc1c(O)cccc1F)c1ccccn1 ZINC000928709228 628180113 /nfs/dbraw/zinc/18/01/13/628180113.db2.gz ZGRKDFUQEKUCKU-LBPRGKRZSA-N 0 0 302.349 3.126 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NC[C@H]1CCC[C@@H]1C1CC1 ZINC000840394012 628180351 /nfs/dbraw/zinc/18/03/51/628180351.db2.gz LTWWQMYSOVDJBC-GDBMZVCRSA-N 0 0 302.418 3.360 20 10 DGCDRN COc1ccc(N2CC[C@H](CNc3cc(C)nc(C)n3)C2)cc1 ZINC000819934950 628201352 /nfs/dbraw/zinc/20/13/52/628201352.db2.gz IYLRYUOPFMKEDP-OAHLLOKOSA-N 0 0 312.417 3.040 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CS[C@@H](C)C1 ZINC000840417346 628343716 /nfs/dbraw/zinc/34/37/16/628343716.db2.gz IBPMHDXUQBOFIH-GXTWGEPZSA-N 0 0 308.447 3.208 20 10 DGCDRN C[C@H](Cc1ccco1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000821842267 628402439 /nfs/dbraw/zinc/40/24/39/628402439.db2.gz JSIAPLRRAFQQPE-OAHLLOKOSA-N 0 0 312.413 3.375 20 10 DGCDRN CC[C@H](CC(F)(F)F)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000821950365 628412406 /nfs/dbraw/zinc/41/24/06/628412406.db2.gz QZRCHKALINITPK-SECBINFHSA-N 0 0 316.283 3.310 20 10 DGCDRN CC(C)[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000822286298 628436379 /nfs/dbraw/zinc/43/63/79/628436379.db2.gz CIGMWTXTCJHKAU-ZDUSSCGKSA-N 0 0 302.378 3.357 20 10 DGCDRN C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000822357376 628444064 /nfs/dbraw/zinc/44/40/64/628444064.db2.gz BZPBQQITDPZPCE-IJLUTSLNSA-N 0 0 302.378 3.356 20 10 DGCDRN COc1ccc(N(C)Cc2nc(C(F)F)no2)cc1Cl ZINC000822681458 628479021 /nfs/dbraw/zinc/47/90/21/628479021.db2.gz OJJYMHVHMRLUEU-UHFFFAOYSA-N 0 0 303.696 3.306 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Cc1nc(CC)c[nH]1 ZINC000822756179 628490131 /nfs/dbraw/zinc/49/01/31/628490131.db2.gz CIGSFOGJZBERJQ-UHFFFAOYSA-N 0 0 315.417 3.049 20 10 DGCDRN CC[C@@H](O)CC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000822814354 628498171 /nfs/dbraw/zinc/49/81/71/628498171.db2.gz QBRKYCGIEOWRNV-GOSISDBHSA-N 0 0 318.461 3.233 20 10 DGCDRN CN1CCCc2cc(CNC(=O)C(C)(C)C(C)(F)F)ccc21 ZINC000822867742 628504406 /nfs/dbraw/zinc/50/44/06/628504406.db2.gz JPUGFIJIISUQHZ-UHFFFAOYSA-N 0 0 310.388 3.367 20 10 DGCDRN CO[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)C1CCC1 ZINC000822898073 628507355 /nfs/dbraw/zinc/50/73/55/628507355.db2.gz HTXAPZJBTNKYDV-GOSISDBHSA-N 0 0 318.461 3.305 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CC3(CCC3)[C@H]2C2CC2)cc1 ZINC000823023900 628519682 /nfs/dbraw/zinc/51/96/82/628519682.db2.gz QMHDZLWEBHFUJT-CQSZACIVSA-N 0 0 312.373 3.254 20 10 DGCDRN CC[C@H]1CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000823293178 628547367 /nfs/dbraw/zinc/54/73/67/628547367.db2.gz VYPCOKKNCBNOBG-WCQYABFASA-N 0 0 302.378 3.405 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2C[C@@H](C3CC3)[C@@H]2C2CC2)cc1 ZINC000823376162 628554254 /nfs/dbraw/zinc/55/42/54/628554254.db2.gz CLIXIDGHEKAKMH-GJZGRUSLSA-N 0 0 312.373 3.110 20 10 DGCDRN CCn1cc(N(CC(C)C)C(=O)/C=C\c2cccnc2C)cn1 ZINC000823426264 628560115 /nfs/dbraw/zinc/56/01/15/628560115.db2.gz OAJVZZSRTPMBLW-HJWRWDBZSA-N 0 0 312.417 3.309 20 10 DGCDRN CCn1cc(N(CC(C)C)C(=O)/C=C\c2cnc(C)s2)cn1 ZINC000823425919 628560164 /nfs/dbraw/zinc/56/01/64/628560164.db2.gz GQUGONXKBOFCDQ-SREVYHEPSA-N 0 0 318.446 3.370 20 10 DGCDRN CC[C@@H]1CC[C@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000823446877 628563276 /nfs/dbraw/zinc/56/32/76/628563276.db2.gz UNDYRKMSQNMQRA-NWDGAFQWSA-N 0 0 302.378 3.500 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@H](C)C1 ZINC000840479628 628564141 /nfs/dbraw/zinc/56/41/41/628564141.db2.gz PWJSIIUKKRSIMO-ZFWWWQNUSA-N 0 0 303.450 3.043 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC1(C)C ZINC000840480755 628576180 /nfs/dbraw/zinc/57/61/80/628576180.db2.gz YAMKRSZCICHACC-CQSZACIVSA-N 0 0 303.450 3.186 20 10 DGCDRN Cc1cc(CNC(=O)Cc2cc(C)n(-c3ccccc3)c2C)no1 ZINC000823637371 628582310 /nfs/dbraw/zinc/58/23/10/628582310.db2.gz JWGMRGVMOXDDBD-UHFFFAOYSA-N 0 0 323.396 3.249 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1[C@@H](C)C[C@@H]1C ZINC000840481406 628583191 /nfs/dbraw/zinc/58/31/91/628583191.db2.gz DMBLHILGLPJQFH-KKUMJFAQSA-N 0 0 303.450 3.184 20 10 DGCDRN COc1cccc(CNC(=O)NC[C@@H](C)C2CCCCC2)c1O ZINC000823657148 628583620 /nfs/dbraw/zinc/58/36/20/628583620.db2.gz AQYWYLLKVKRMNV-CYBMUJFWSA-N 0 0 320.433 3.416 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC=C(C)C1 ZINC000840481641 628586263 /nfs/dbraw/zinc/58/62/63/628586263.db2.gz KYZWXUDMFUXLBG-INIZCTEOSA-N 0 0 315.461 3.354 20 10 DGCDRN CN(Cc1cccs1)c1ccc(CN2CCO[C@H]3C[C@H]32)cc1 ZINC000824426858 628659658 /nfs/dbraw/zinc/65/96/58/628659658.db2.gz DSXLJFQHJLHRBQ-MSOLQXFVSA-N 0 0 314.454 3.358 20 10 DGCDRN COc1ccc2c(c1)CCN2Cc1cc(C(F)(F)F)nn1C ZINC000824479567 628664522 /nfs/dbraw/zinc/66/45/22/628664522.db2.gz YEVHPSJBYSGDRP-UHFFFAOYSA-N 0 0 311.307 3.010 20 10 DGCDRN CCN(Cc1cn(C2CCC2)nn1)Cc1ccc(N(C)C)cc1 ZINC000824484985 628664961 /nfs/dbraw/zinc/66/49/61/628664961.db2.gz XPIYYAQMZYYAGG-UHFFFAOYSA-N 0 0 313.449 3.091 20 10 DGCDRN CC[C@H](NCc1cc(Br)cc(OC)c1O)C(F)F ZINC000824510673 628666042 /nfs/dbraw/zinc/66/60/42/628666042.db2.gz YNQKMBIFSJEPDH-VIFPVBQESA-N 0 0 324.165 3.297 20 10 DGCDRN CN(C)c1ccc(CN[C@@H]2CCn3ccnc32)c(C(F)(F)F)c1 ZINC000824527179 628666858 /nfs/dbraw/zinc/66/68/58/628666858.db2.gz SLIGWWJIWHOULX-CQSZACIVSA-N 0 0 324.350 3.203 20 10 DGCDRN CC[C@@H](C)[C@H](C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])OC ZINC000824597321 628675368 /nfs/dbraw/zinc/67/53/68/628675368.db2.gz QXLUIFOZTGKXJY-RNCFNFMXSA-N 0 0 316.785 3.105 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCCC3(CC3)C2)cc1F ZINC000824670000 628682470 /nfs/dbraw/zinc/68/24/70/628682470.db2.gz SSKLHQMFKRUHFH-AWEZNQCLSA-N 0 0 304.409 3.478 20 10 DGCDRN CC(C)(C)C(F)(F)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000824727716 628687640 /nfs/dbraw/zinc/68/76/40/628687640.db2.gz APBJHFZYLUIMAC-UHFFFAOYSA-N 0 0 312.320 3.260 20 10 DGCDRN CO[C@@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C[C@H]1C ZINC000824814619 628696511 /nfs/dbraw/zinc/69/65/11/628696511.db2.gz BVYWRTIMJRFLGC-ZWNOBZJWSA-N 0 0 314.223 3.012 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCC[C@@H]1C1CC1 ZINC000840491138 628703017 /nfs/dbraw/zinc/70/30/17/628703017.db2.gz NWOCFMIQWKMGON-KOMYPQRHSA-N 0 0 301.386 3.054 20 10 DGCDRN Cc1cc(O)c(CN(C)Cc2csc(C(C)(C)O)n2)cc1C ZINC000825153616 628733850 /nfs/dbraw/zinc/73/38/50/628733850.db2.gz PPEJCXRTNFZYNZ-UHFFFAOYSA-N 0 0 320.458 3.325 20 10 DGCDRN CCN(CC)c1ccc(CNCc2ncccc2OC)cc1F ZINC000825250074 628742263 /nfs/dbraw/zinc/74/22/63/628742263.db2.gz SZJRAORQCZBVOD-UHFFFAOYSA-N 0 0 317.408 3.365 20 10 DGCDRN COC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000825321904 628749527 /nfs/dbraw/zinc/74/95/27/628749527.db2.gz QNHZZSKUDBFFRP-LLVKDONJSA-N 0 0 301.789 3.433 20 10 DGCDRN CC(C)(CN1CCCC1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000825325664 628750096 /nfs/dbraw/zinc/75/00/96/628750096.db2.gz GROVEBAHJGGGMB-UHFFFAOYSA-N 0 0 300.805 3.149 20 10 DGCDRN Cc1cc(O)c(CNc2cnc3c(c2)COCC3)cc1Cl ZINC000825416247 628759144 /nfs/dbraw/zinc/75/91/44/628759144.db2.gz AGPQWGHPORWNCT-UHFFFAOYSA-N 0 0 304.777 3.434 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)[C@H]3CCC3(C)C)CC2)cc1 ZINC000825425563 628759683 /nfs/dbraw/zinc/75/96/83/628759683.db2.gz CBYLOWBVCRFZPB-QGZVFWFLSA-N 0 0 316.445 3.216 20 10 DGCDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1cnc2n1CCC2 ZINC000825510227 628770145 /nfs/dbraw/zinc/77/01/45/628770145.db2.gz XSZPOXBJOMNWQM-UHFFFAOYSA-N 0 0 319.355 3.384 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)C(C)=C3CCC3)CC2)cc1 ZINC000825600781 628776433 /nfs/dbraw/zinc/77/64/33/628776433.db2.gz TXMYQMLPZWWQSW-UHFFFAOYSA-N 0 0 314.429 3.281 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)CCCc1ncc(C)o1 ZINC000825678543 628784863 /nfs/dbraw/zinc/78/48/63/628784863.db2.gz FIXFVJHKAVWJFD-UHFFFAOYSA-N 0 0 316.401 3.450 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000825722350 628790754 /nfs/dbraw/zinc/79/07/54/628790754.db2.gz XNSDDANZDLRLKZ-BRWVUGGUSA-N 0 0 313.445 3.275 20 10 DGCDRN C[C@@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)CC(F)F ZINC000826530171 628856750 /nfs/dbraw/zinc/85/67/50/628856750.db2.gz CMZVTVJYMHXJCM-NEPJUHHUSA-N 0 0 313.392 3.404 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc2c(c1)CCN2 ZINC000827004328 628912145 /nfs/dbraw/zinc/91/21/45/628912145.db2.gz FKCXDGFQPWGMIG-UHFFFAOYSA-N 0 0 321.424 3.185 20 10 DGCDRN CC(C)c1nnc(NCc2ccc(N3CCSCC3)cc2)o1 ZINC000827411557 628956220 /nfs/dbraw/zinc/95/62/20/628956220.db2.gz ZBBQDUYPFNAOTD-UHFFFAOYSA-N 0 0 318.446 3.358 20 10 DGCDRN CC1(C)CN(C(=O)c2c(F)ccc(O)c2O)Cc2ccccc21 ZINC000827446738 628959635 /nfs/dbraw/zinc/95/96/35/628959635.db2.gz HCCZCSGXGRQEMN-UHFFFAOYSA-N 0 0 315.344 3.171 20 10 DGCDRN C[C@@H](Cc1ccco1)C(=O)NCCCSc1nccs1 ZINC000827474506 628962298 /nfs/dbraw/zinc/96/22/98/628962298.db2.gz BBGUNXVEALFFBK-NSHDSACASA-N 0 0 310.444 3.213 20 10 DGCDRN Oc1ccc2c(c1)CN(Cc1c(O)cccc1Cl)CCO2 ZINC000827656249 628980403 /nfs/dbraw/zinc/98/04/03/628980403.db2.gz HROCCSRYZRFRGB-UHFFFAOYSA-N 0 0 305.761 3.146 20 10 DGCDRN Cc1cc(CC(=O)N(C)Cc2cn[nH]c2)c(C)n1-c1ccccc1 ZINC000827762751 628989523 /nfs/dbraw/zinc/98/95/23/628989523.db2.gz SGCLRTRZCMZOFI-UHFFFAOYSA-N 0 0 322.412 3.018 20 10 DGCDRN C[C@H]1CN(Cc2cc(F)ccc2O)C[C@H](CC(F)(F)F)O1 ZINC000827787102 628991162 /nfs/dbraw/zinc/99/11/62/628991162.db2.gz MIOJUKQUNMDJQU-CABZTGNLSA-N 0 0 307.287 3.073 20 10 DGCDRN CCN(CC)c1ccc(CN(C)Cc2nnc(C)s2)cc1F ZINC000827805105 628993108 /nfs/dbraw/zinc/99/31/08/628993108.db2.gz HGWFTKQKAVAHBZ-UHFFFAOYSA-N 0 0 322.453 3.464 20 10 DGCDRN Cc1nnc(CN(C)C/C=C/c2ccc(N(C)C)cc2)s1 ZINC000827806629 628993322 /nfs/dbraw/zinc/99/33/22/628993322.db2.gz UMONQZMWMIESHM-AATRIKPKSA-N 0 0 302.447 3.058 20 10 DGCDRN CC[C@@H](C(=O)N[C@H](C)c1ccccc1O)c1c(C)noc1C ZINC000827930588 629004939 /nfs/dbraw/zinc/00/49/39/629004939.db2.gz LRBMRAQOLVUUNU-ZWNOBZJWSA-N 0 0 302.374 3.368 20 10 DGCDRN C[C@@H](NC(=O)[C@H]1CCN(C)c2ccccc21)c1ccccc1O ZINC000827940364 629005971 /nfs/dbraw/zinc/00/59/71/629005971.db2.gz CCGKXASMMMMYDO-CJNGLKHVSA-N 0 0 310.397 3.193 20 10 DGCDRN COC(=O)CC1(CC(=O)N[C@H](C)c2ccccc2O)CCCC1 ZINC000827946529 629006456 /nfs/dbraw/zinc/00/64/56/629006456.db2.gz KYXPLYDRSIANGF-CYBMUJFWSA-N 0 0 319.401 3.083 20 10 DGCDRN COc1ccc2c(c1)[C@H](C(=O)N[C@H](C)c1ccccc1O)CC2 ZINC000827946817 629006709 /nfs/dbraw/zinc/00/67/09/629006709.db2.gz SKFAGRIOHVCNTC-MLGOLLRUSA-N 0 0 311.381 3.308 20 10 DGCDRN COc1cccc(C2(C(=O)N[C@@H](C)c3ccccc3O)CC2)c1 ZINC000827964743 629009490 /nfs/dbraw/zinc/00/94/90/629009490.db2.gz SYNIDDNFLSNDGI-ZDUSSCGKSA-N 0 0 311.381 3.310 20 10 DGCDRN C[C@@H](CC(=O)N[C@@H](C)c1ccccc1O)C(=O)c1ccccc1 ZINC000827978450 629010266 /nfs/dbraw/zinc/01/02/66/629010266.db2.gz UEVRVCNXFSQDCZ-KBPBESRZSA-N 0 0 311.381 3.479 20 10 DGCDRN CC(C)c1nn(C)c(Cl)c1C(=O)N[C@@H](C)c1ccccc1O ZINC000827973353 629010426 /nfs/dbraw/zinc/01/04/26/629010426.db2.gz MEVNQPFMLRAONI-JTQLQIEISA-N 0 0 321.808 3.394 20 10 DGCDRN C[C@H](NC(=O)c1cc2c(s1)CCOC2)c1ccccc1O ZINC000827978471 629010803 /nfs/dbraw/zinc/01/08/03/629010803.db2.gz USAMAWAXUCMIOR-JTQLQIEISA-N 0 0 303.383 3.017 20 10 DGCDRN Cc1c(C(=O)N[C@@H](C)c2ccccc2O)oc2c1C(=O)CCC2 ZINC000827982350 629011152 /nfs/dbraw/zinc/01/11/52/629011152.db2.gz UKNQIPGGZKXBJC-NSHDSACASA-N 0 0 313.353 3.304 20 10 DGCDRN COC(=O)CN(Cc1ccc(N2CCCCC2)c(C)c1)C1CC1 ZINC000828012401 629014229 /nfs/dbraw/zinc/01/42/29/629014229.db2.gz OCDKIWJZCXSUNP-UHFFFAOYSA-N 0 0 316.445 3.123 20 10 DGCDRN CN(C[C@@H]1CCC[N@@H+]1Cc1c(O)ccc2ccccc21)C(=O)[O-] ZINC000828224223 629034616 /nfs/dbraw/zinc/03/46/16/629034616.db2.gz VOZMUXHFDVJRNY-AWEZNQCLSA-N 0 0 314.385 3.120 20 10 DGCDRN CN(C[C@H]1CCC[N@@H+]1Cc1c(O)ccc2ccccc21)C(=O)[O-] ZINC000828224224 629034704 /nfs/dbraw/zinc/03/47/04/629034704.db2.gz VOZMUXHFDVJRNY-CQSZACIVSA-N 0 0 314.385 3.120 20 10 DGCDRN CCCONC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000828232750 629035573 /nfs/dbraw/zinc/03/55/73/629035573.db2.gz SMNSCVCLZITILN-UHFFFAOYSA-N 0 0 305.422 3.160 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000828494309 629059337 /nfs/dbraw/zinc/05/93/37/629059337.db2.gz BZYAYCMXBWMRPH-BRWVUGGUSA-N 0 0 315.461 3.473 20 10 DGCDRN Cc1cc(Cn2cc([N+](=O)[O-])cn2)ccc1N1CCCCC1 ZINC000829006094 629119068 /nfs/dbraw/zinc/11/90/68/629119068.db2.gz LWXZQZHMUIDXQF-UHFFFAOYSA-N 0 0 300.362 3.138 20 10 DGCDRN COC(=O)[C@H](NCc1ccc(N2CCCCC2)c(C)c1)C1CC1 ZINC000829077919 629126654 /nfs/dbraw/zinc/12/66/54/629126654.db2.gz PSMXYCPKHMLFMK-GOSISDBHSA-N 0 0 316.445 3.027 20 10 DGCDRN COC(=O)[C@@H](NCc1ccc(N2CCCCC2)c(C)c1)C1CC1 ZINC000829077920 629126697 /nfs/dbraw/zinc/12/66/97/629126697.db2.gz PSMXYCPKHMLFMK-SFHVURJKSA-N 0 0 316.445 3.027 20 10 DGCDRN Cc1cc(C(=O)CN2[C@H](C)C[C@H]2C)c(C)n1-c1ccc(F)cn1 ZINC000829335280 629150561 /nfs/dbraw/zinc/15/05/61/629150561.db2.gz DWWRWJRUOVTJBN-VXGBXAGGSA-N 0 0 315.392 3.294 20 10 DGCDRN C/C(=C/C(=O)N1CC[C@@H](C)c2cccc(O)c21)c1cnccn1 ZINC000829521097 629165810 /nfs/dbraw/zinc/16/58/10/629165810.db2.gz MASYAOZQVVPCAS-YGYTWAPGSA-N 0 0 309.369 3.126 20 10 DGCDRN Cc1cnccc1/C=C/C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000829817726 629197549 /nfs/dbraw/zinc/19/75/49/629197549.db2.gz QBJDBVBZELNLMN-JOZWUWCOSA-N 0 0 309.413 3.347 20 10 DGCDRN Cc1cc(C(=O)CN2C[C@@H](C)[C@H]2C)c(C)n1-c1ccc(F)cn1 ZINC000830027957 629218590 /nfs/dbraw/zinc/21/85/90/629218590.db2.gz CRGQEIXIIMDCOA-DGCLKSJQSA-N 0 0 315.392 3.151 20 10 DGCDRN Cc1cc(O)c(C[N@H+](C)[C@@H]2CCN(C(=O)[O-])C2)cc1C(C)C ZINC000830121991 629227476 /nfs/dbraw/zinc/22/74/76/629227476.db2.gz IUEBMUBUFMVMGB-CQSZACIVSA-N 0 0 306.406 3.008 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)C[C@H](C)n1ccc(C)n1 ZINC000830141258 629229786 /nfs/dbraw/zinc/22/97/86/629229786.db2.gz QACCSPYRLNMTPJ-HNNXBMFYSA-N 0 0 315.417 3.287 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)C1CC2(C1)CCCCC2 ZINC000830531166 629281294 /nfs/dbraw/zinc/28/12/94/629281294.db2.gz DTFRWLXAUKVQFE-UHFFFAOYSA-N 0 0 303.402 3.117 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2CC3(CC3(F)F)C2)c1 ZINC000830540828 629282013 /nfs/dbraw/zinc/28/20/13/629282013.db2.gz NZPGBCMYIAPLQA-SBTGLGLWSA-N 0 0 311.328 3.013 20 10 DGCDRN COc1ccc(O)c(CNC(=O)C2CCC(C3CC3)CC2)c1 ZINC000830543613 629282321 /nfs/dbraw/zinc/28/23/21/629282321.db2.gz AHGGQTHUIQITHR-UHFFFAOYSA-N 0 0 303.402 3.233 20 10 DGCDRN COc1ccc(O)c(CNC(=O)C2[C@H]3CCCCCC[C@H]23)c1 ZINC000830544426 629282388 /nfs/dbraw/zinc/28/23/88/629282388.db2.gz PVBWOGHDVHCUJO-GJZGRUSLSA-N 0 0 303.402 3.233 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1nccc2[nH]ccc21 ZINC000830559053 629284237 /nfs/dbraw/zinc/28/42/37/629284237.db2.gz IBCOMXPIKVWARG-UHFFFAOYSA-N 0 0 321.380 3.077 20 10 DGCDRN CN(Cc1ccccc1O)S(=O)(=O)CCC1CCCCC1 ZINC000830609669 629287741 /nfs/dbraw/zinc/28/77/41/629287741.db2.gz LOKUGHBBMNYBPZ-UHFFFAOYSA-N 0 0 311.447 3.124 20 10 DGCDRN COc1ccc(N2CCN(C(=O)OC3CCCC3)CC2)cc1F ZINC000830826698 629309080 /nfs/dbraw/zinc/30/90/80/629309080.db2.gz IEOAYQRKETZIDU-UHFFFAOYSA-N 0 0 322.380 3.036 20 10 DGCDRN CC(=O)C[C@@H](C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000830872866 629313652 /nfs/dbraw/zinc/31/36/52/629313652.db2.gz FZIMAVCDJUDRLM-CYBMUJFWSA-N 0 0 312.413 3.120 20 10 DGCDRN Cc1cc(CC(=O)N[C@@H](C)c2cn[nH]c2)c(C)n1-c1ccccc1 ZINC000831231093 629351909 /nfs/dbraw/zinc/35/19/09/629351909.db2.gz CGOICIIZPZMSAB-AWEZNQCLSA-N 0 0 322.412 3.237 20 10 DGCDRN COc1ccc2c(c1)CCCCN2C(=O)C1=CC(=O)CS1 ZINC000831504904 629383983 /nfs/dbraw/zinc/38/39/83/629383983.db2.gz XIGWCNJIOPFNRE-UHFFFAOYSA-N 0 0 303.383 3.445 20 10 DGCDRN COc1ccc(N(Cc2nc([C@@H](C)OC)no2)CC2CC2)cc1 ZINC000831588034 629394109 /nfs/dbraw/zinc/39/41/09/629394109.db2.gz RTJMZSAVHDJYII-GFCCVEGCSA-N 0 0 317.389 3.202 20 10 DGCDRN COc1ccc(N(CC(=O)Nc2nccs2)CC2CC2)cc1 ZINC000831588371 629394174 /nfs/dbraw/zinc/39/41/74/629394174.db2.gz YDLJSFMJRGXNFW-UHFFFAOYSA-N 0 0 317.414 3.007 20 10 DGCDRN COc1ccc(N(Cc2nc([C@H](C)OC)no2)CC2CC2)cc1 ZINC000831588035 629394205 /nfs/dbraw/zinc/39/42/05/629394205.db2.gz RTJMZSAVHDJYII-LBPRGKRZSA-N 0 0 317.389 3.202 20 10 DGCDRN Cc1cc(C)cc(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000831924712 629428764 /nfs/dbraw/zinc/42/87/64/629428764.db2.gz LTKDWSWFOLRUIB-CQSZACIVSA-N 0 0 313.397 3.005 20 10 DGCDRN CSc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(C)o1 ZINC000831925573 629428890 /nfs/dbraw/zinc/42/88/90/629428890.db2.gz ZADOOXDABUFBAO-SECBINFHSA-N 0 0 321.398 3.082 20 10 DGCDRN CO[C@H]1C[C@H]([N@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])C12CCC2 ZINC000832208423 629449771 /nfs/dbraw/zinc/44/97/71/629449771.db2.gz ACAMHAJXFAAOEN-HOTGVXAUSA-N 0 0 321.392 3.123 20 10 DGCDRN COCc1csc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000832435605 629480188 /nfs/dbraw/zinc/48/01/88/629480188.db2.gz CKEZXPVGAAONDU-LBPRGKRZSA-N 0 0 318.442 3.452 20 10 DGCDRN CCN(CC)c1ccc(C(=O)NCCc2ccc(N)cc2)cc1 ZINC000832652998 629502334 /nfs/dbraw/zinc/50/23/34/629502334.db2.gz OEOJVMVGVIXRKW-UHFFFAOYSA-N 0 0 311.429 3.088 20 10 DGCDRN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCCc2ccc(N)cc2)o1 ZINC000832653130 629502527 /nfs/dbraw/zinc/50/25/27/629502527.db2.gz QBPSPYBBPISCGM-DYVFJYSZSA-N 0 0 312.413 3.277 20 10 DGCDRN COc1cc2c(cc1Cl)CN(C(=O)C1=CC(=O)CS1)CC2 ZINC000832920253 629532995 /nfs/dbraw/zinc/53/29/95/629532995.db2.gz ZZKJJIDEWREFPC-UHFFFAOYSA-N 0 0 323.801 3.314 20 10 DGCDRN CC[C@@H](CO)N(C)C(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000833336923 629587452 /nfs/dbraw/zinc/58/74/52/629587452.db2.gz JSHNBZBBRBGOKF-INIZCTEOSA-N 0 0 314.429 3.245 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)CCCCO)cc1 ZINC000833696727 629642348 /nfs/dbraw/zinc/64/23/48/629642348.db2.gz YQTBSVDLNBWQGO-AWEZNQCLSA-N 0 0 314.429 3.375 20 10 DGCDRN COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C(=O)[O-])sc2C)c1 ZINC000833733995 629644095 /nfs/dbraw/zinc/64/40/95/629644095.db2.gz YIUROMPXIHWOOS-SECBINFHSA-N 0 0 321.398 3.320 20 10 DGCDRN COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccsc2C(=O)[O-])c1 ZINC000833733924 629644473 /nfs/dbraw/zinc/64/44/73/629644473.db2.gz VWPREANRKCKFCD-SECBINFHSA-N 0 0 307.371 3.011 20 10 DGCDRN CC[C@](C)(CNC(=O)c1cc(C)n(-c2ccccn2)c1C)OC ZINC000833798802 629650964 /nfs/dbraw/zinc/65/09/64/629650964.db2.gz FSEBMBRQOYPSKD-GOSISDBHSA-N 0 0 315.417 3.034 20 10 DGCDRN CCN(CC)c1ccc(CNc2nc3n(n2)CCCC3)cc1F ZINC000834482909 629716532 /nfs/dbraw/zinc/71/65/32/629716532.db2.gz VCIUQBWGAKQQPH-UHFFFAOYSA-N 0 0 317.412 3.212 20 10 DGCDRN COC[C@](C)(O)CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000834843375 629788888 /nfs/dbraw/zinc/78/88/88/629788888.db2.gz IILOUFWJHGKXQX-LKFCYVNXSA-N 0 0 322.232 3.137 20 10 DGCDRN Cc1cc(Cl)cc([C@@H](C)NCc2nnc(C(C)C)[nH]2)c1O ZINC000834871578 629794049 /nfs/dbraw/zinc/79/40/49/629794049.db2.gz MWPWDCPCKXJDOG-SNVBAGLBSA-N 0 0 308.813 3.446 20 10 DGCDRN C[C@@H](NCc1nn(C)cc1Cl)c1cc(Cl)ccc1O ZINC000834881872 629796131 /nfs/dbraw/zinc/79/61/31/629796131.db2.gz CRYLXSXPSDQZLE-MRVPVSSYSA-N 0 0 300.189 3.283 20 10 DGCDRN CC(C)[C@@H]1C[C@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCO1 ZINC000834884769 629796880 /nfs/dbraw/zinc/79/68/80/629796880.db2.gz CTJZAVHGVWJUFT-AHIWAGSCSA-N 0 0 322.405 3.402 20 10 DGCDRN CC[C@@H](NCc1nn(C)cc1Cl)c1ccc(N(C)C)cc1 ZINC000834882529 629796894 /nfs/dbraw/zinc/79/68/94/629796894.db2.gz KVSKJBWKTAZMEH-OAHLLOKOSA-N 0 0 306.841 3.380 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCCC2(F)F)c1 ZINC000834885418 629797613 /nfs/dbraw/zinc/79/76/13/629797613.db2.gz KNQJSNDTLOTUDY-ZYHUDNBSSA-N 0 0 313.344 3.265 20 10 DGCDRN CC[C@@H]([NH2+][C@H](C)Cc1cnn(C)c1)c1cccc(Cl)c1[O-] ZINC000834896558 629801001 /nfs/dbraw/zinc/80/10/01/629801001.db2.gz LEFLXPKFCXJCJS-IAQYHMDHSA-N 0 0 307.825 3.451 20 10 DGCDRN C[C@H]([NH2+]CC(C)(C)C1(O)CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834906300 629804994 /nfs/dbraw/zinc/80/49/94/629804994.db2.gz OMGIJYAKPIMDLU-LBPRGKRZSA-N 0 0 322.405 3.282 20 10 DGCDRN C[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1cc(Cl)c(Cl)cc1[O-] ZINC000834908566 629805886 /nfs/dbraw/zinc/80/58/86/629805886.db2.gz KLBNURUBPAKJNN-XLKFXECMSA-N 0 0 317.216 3.018 20 10 DGCDRN CCC[C@@](C)(NC/C=C\c1ccc(N(C)C)cc1)C(=O)OC ZINC000835033863 629829640 /nfs/dbraw/zinc/82/96/40/629829640.db2.gz YEHITAUPFURQDU-JTHGQSKGSA-N 0 0 304.434 3.087 20 10 DGCDRN C[C@H](C(=O)NC(C)(C)C)N(C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835045884 629834494 /nfs/dbraw/zinc/83/44/94/629834494.db2.gz LGXUNBZVHPIBMB-WHLNPGIBSA-N 0 0 317.477 3.001 20 10 DGCDRN Cc1ccc(C[N@H+](C/C=C\c2ccc(N(C)C)cc2)CCO)o1 ZINC000835050904 629836496 /nfs/dbraw/zinc/83/64/96/629836496.db2.gz GCGRWKOLOFTFEH-PLNGDYQASA-N 0 0 314.429 3.162 20 10 DGCDRN CN(C)c1ccc(/C=C/CN2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1 ZINC000835055876 629839824 /nfs/dbraw/zinc/83/98/24/629839824.db2.gz OQPWUWCUJFEKFV-NFICYJJRSA-N 0 0 312.457 3.409 20 10 DGCDRN CCn1cc(N2C(=O)/C(=C/c3ccccc3)SC2=S)cn1 ZINC000101960155 629882428 /nfs/dbraw/zinc/88/24/28/629882428.db2.gz CNJXITXZNPSEOJ-JYRVWZFOSA-N 0 0 315.423 3.309 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC[C@](C)(CC)OC)cc1 ZINC000836242449 630088960 /nfs/dbraw/zinc/08/89/60/630088960.db2.gz NKWSCGYSLNQGTR-SFHVURJKSA-N 0 0 321.465 3.147 20 10 DGCDRN COc1ccc2c(c1)C(=O)N(C)[C@H](c1cc(Cl)ccc1O)N2 ZINC000102418313 630104546 /nfs/dbraw/zinc/10/45/46/630104546.db2.gz AIACIUAWQDZXCH-OAHLLOKOSA-N 0 0 318.760 3.251 20 10 DGCDRN COc1ccc(CNC(=O)NC2CC(C(C)(C)C)C2)c(O)c1 ZINC000836479046 630120059 /nfs/dbraw/zinc/12/00/59/630120059.db2.gz BNYLFPLRVMJGRQ-UHFFFAOYSA-N 0 0 306.406 3.025 20 10 DGCDRN CC[C@H]1CCC[C@H]1CNC(=O)NCc1ccc(OC)cc1O ZINC000836559683 630133637 /nfs/dbraw/zinc/13/36/37/630133637.db2.gz RRGRQSJRKGZOJB-STQMWFEESA-N 0 0 306.406 3.026 20 10 DGCDRN COc1ccc(NCc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000102598162 630160371 /nfs/dbraw/zinc/16/03/71/630160371.db2.gz RMVYIDWYKSNTLK-UHFFFAOYSA-N 0 0 312.413 3.452 20 10 DGCDRN CC(C)(C)C[C@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000837168325 630221636 /nfs/dbraw/zinc/22/16/36/630221636.db2.gz UXCGNLYREQUXGO-BRLPQQTGSA-N 0 0 303.402 3.396 20 10 DGCDRN Nc1ccc(CNC(=O)[C@H]2C[C@@]23CCCc2ccccc23)cc1 ZINC000837302766 630237213 /nfs/dbraw/zinc/23/72/13/630237213.db2.gz FWRDYZFXTPXDPE-UYAOXDASSA-N 0 0 306.409 3.179 20 10 DGCDRN C[C@H](CCc1cccc(F)c1)C(=O)NCc1ccc(N)cc1 ZINC000837303040 630237250 /nfs/dbraw/zinc/23/72/50/630237250.db2.gz RCJMQSBBOPGBTR-CYBMUJFWSA-N 0 0 300.377 3.293 20 10 DGCDRN C[C@@H](CC(F)(F)F)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000837377592 630250003 /nfs/dbraw/zinc/25/00/03/630250003.db2.gz LUSHYCQPSSKQBM-VIFPVBQESA-N 0 0 306.303 3.096 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3[nH]ccc3C3CC3)ccc21 ZINC000837379708 630250603 /nfs/dbraw/zinc/25/06/03/630250603.db2.gz XRFRSXDZXQIWTD-UHFFFAOYSA-N 0 0 309.413 3.205 20 10 DGCDRN COc1cccnc1CNC(=S)Nc1ccc2c(c1)CCC2 ZINC000840825801 630362618 /nfs/dbraw/zinc/36/26/18/630362618.db2.gz MFLNRMHCDQYDOF-UHFFFAOYSA-N 0 0 313.426 3.066 20 10 DGCDRN COc1cccnc1CNC(=S)Nc1c(C)cccc1C ZINC000840825988 630362901 /nfs/dbraw/zinc/36/29/01/630362901.db2.gz ORZPFYWYTCJPAN-UHFFFAOYSA-N 0 0 301.415 3.194 20 10 DGCDRN C[C@H](NCc1nccc(C(F)(F)F)n1)c1ccc(N(C)C)cc1 ZINC000840868198 630369605 /nfs/dbraw/zinc/36/96/05/630369605.db2.gz VXGGYBUTHJXWNP-NSHDSACASA-N 0 0 324.350 3.412 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000840878952 630370772 /nfs/dbraw/zinc/37/07/72/630370772.db2.gz AHRPAUOPAYETQO-AAEUAGOBSA-N 0 0 307.340 3.097 20 10 DGCDRN Cc1cc(O)c(CN2CCO[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000840918675 630378266 /nfs/dbraw/zinc/37/82/66/630378266.db2.gz YAMQQQHDMJZUNE-LBPRGKRZSA-N 0 0 309.715 3.117 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1cccc(Cn2cncn2)c1 ZINC000840922312 630378693 /nfs/dbraw/zinc/37/86/93/630378693.db2.gz AFJVVZVOWHILNV-UHFFFAOYSA-N 0 0 321.428 3.313 20 10 DGCDRN COC(=O)[C@H](NCc1ccc(N(C)C)cc1C)c1ccccc1 ZINC000840940293 630381168 /nfs/dbraw/zinc/38/11/68/630381168.db2.gz YLKJAZCUVRPJAV-GOSISDBHSA-N 0 0 312.413 3.065 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1cccc(N2CCC2=O)c1 ZINC000840941400 630381390 /nfs/dbraw/zinc/38/13/90/630381390.db2.gz VZNCWQRNYRYTGG-UHFFFAOYSA-N 0 0 309.413 3.410 20 10 DGCDRN Cc1noc([C@H]2CCCN2Cc2ccc(N(C)C)cc2C)n1 ZINC000840946571 630382187 /nfs/dbraw/zinc/38/21/87/630382187.db2.gz RUTKZXBXYTUELO-MRXNPFEDSA-N 0 0 300.406 3.090 20 10 DGCDRN CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000840956046 630384434 /nfs/dbraw/zinc/38/44/34/630384434.db2.gz IBGNGHNASOMPTH-WBVHZDCISA-N 0 0 303.789 3.448 20 10 DGCDRN CN(C)c1ccc(/C=C/CNc2cccc3c2CN(C)C3=O)cc1 ZINC000840958297 630386268 /nfs/dbraw/zinc/38/62/68/630386268.db2.gz QDQKTJIIEKCVIB-AATRIKPKSA-N 0 0 321.424 3.464 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000840959647 630386403 /nfs/dbraw/zinc/38/64/03/630386403.db2.gz ZFBSDZUIIRGGOB-BBRMVZONSA-N 0 0 321.779 3.493 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](CC(=O)[O-])C2)cc1F ZINC000840995767 630392469 /nfs/dbraw/zinc/39/24/69/630392469.db2.gz TZVNTGMRVLJLIT-CQSZACIVSA-N 0 0 322.424 3.359 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CCCC[C@H]2C(=O)[O-])cc1F ZINC000840997816 630393269 /nfs/dbraw/zinc/39/32/69/630393269.db2.gz NFWVKHOZGLAASH-INIZCTEOSA-N 0 0 308.397 3.111 20 10 DGCDRN NC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])C1CCCCC1 ZINC000841039497 630400608 /nfs/dbraw/zinc/40/06/08/630400608.db2.gz RMEXRPXKRAGLER-CQSZACIVSA-N 0 0 300.805 3.182 20 10 DGCDRN [NH3+]CC[C@H](NCc1cc(Cl)cc(Cl)c1[O-])C(F)(F)F ZINC000841090875 630406935 /nfs/dbraw/zinc/40/69/35/630406935.db2.gz PCJIPNJUFOTWQD-VIFPVBQESA-N 0 0 317.138 3.068 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000841101178 630407964 /nfs/dbraw/zinc/40/79/64/630407964.db2.gz RATZCOYAEMSDPQ-INIZCTEOSA-N 0 0 320.795 3.331 20 10 DGCDRN CCCC[C@@H](C)N(CCCC)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841135104 630410876 /nfs/dbraw/zinc/41/08/76/630410876.db2.gz FECPRNPSIZTQCQ-CQSZACIVSA-N 0 0 319.449 3.415 20 10 DGCDRN CCC[C@H](NC(=O)Nc1ccc(N)cc1)[C@@H](O)c1ccccc1 ZINC000841296626 630424036 /nfs/dbraw/zinc/42/40/36/630424036.db2.gz GPQNGLXJBVHSAD-IRXDYDNUSA-N 0 0 313.401 3.293 20 10 DGCDRN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)Nc2ccc(N)cc2)C1 ZINC000841295554 630424042 /nfs/dbraw/zinc/42/40/42/630424042.db2.gz BENYLJSHOOGAGC-ZCPGHIKRSA-N 0 0 317.433 3.062 20 10 DGCDRN Nc1ccc(NC(=O)N2CCC[C@]3(C2)OCc2ccccc23)cc1 ZINC000841295826 630424204 /nfs/dbraw/zinc/42/42/04/630424204.db2.gz GXGJTZYNKSKSIX-LJQANCHMSA-N 0 0 323.396 3.322 20 10 DGCDRN CCCCCn1cc(CNC(=O)Nc2ccc(N)cc2)c(C)n1 ZINC000841297920 630424566 /nfs/dbraw/zinc/42/45/66/630424566.db2.gz KWDFIQZOCRJPCN-UHFFFAOYSA-N 0 0 315.421 3.286 20 10 DGCDRN CC[C@](C)(NC(=O)Nc1ccc(N)cc1)c1nc(C)cs1 ZINC000841298627 630424644 /nfs/dbraw/zinc/42/46/44/630424644.db2.gz CJNAACJYOACAQO-HNNXBMFYSA-N 0 0 304.419 3.481 20 10 DGCDRN CCC1CCC(N(CCO)C(=O)Nc2ccc(N)cc2)CC1 ZINC000841297742 630424661 /nfs/dbraw/zinc/42/46/61/630424661.db2.gz TYNCTLGSVXABAQ-UHFFFAOYSA-N 0 0 305.422 3.064 20 10 DGCDRN C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@@H](c2ccsc2)O1 ZINC000841300909 630425061 /nfs/dbraw/zinc/42/50/61/630425061.db2.gz WORJLHXRMQEWGS-ABAIWWIYSA-N 0 0 317.414 3.324 20 10 DGCDRN Nc1ccc(NC(=O)N2CCC[C@H]2COc2ccccc2)cc1 ZINC000841300660 630425069 /nfs/dbraw/zinc/42/50/69/630425069.db2.gz YSVYUGOWNIDQEY-INIZCTEOSA-N 0 0 311.385 3.344 20 10 DGCDRN Cc1ccc(N2CCCN(C(=O)Nc3ccc(N)cc3)CC2)cc1 ZINC000841301707 630425324 /nfs/dbraw/zinc/42/53/24/630425324.db2.gz WKVJGSPSCZIOPV-UHFFFAOYSA-N 0 0 324.428 3.321 20 10 DGCDRN COc1ccccc1C(C)(C)CNC(=O)Nc1ccc(N)cc1 ZINC000841301732 630425640 /nfs/dbraw/zinc/42/56/40/630425640.db2.gz XSSBWHKNGVZGMB-UHFFFAOYSA-N 0 0 313.401 3.377 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Nc1ccc2c(c1)CCCN2 ZINC000841303078 630425648 /nfs/dbraw/zinc/42/56/48/630425648.db2.gz KQYSZGZLAOJFHA-UHFFFAOYSA-N 0 0 311.385 3.414 20 10 DGCDRN Cc1ccc(N)cc1NC(=O)NCc1ccc(N(C)C)cc1C ZINC000841315704 630427595 /nfs/dbraw/zinc/42/75/95/630427595.db2.gz FFXOFDGLBKDBMR-UHFFFAOYSA-N 0 0 312.417 3.273 20 10 DGCDRN Cc1noc(CNC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)n1 ZINC000104292376 630432929 /nfs/dbraw/zinc/43/29/29/630432929.db2.gz NTDDUEOSBSESMM-UHFFFAOYSA-N 0 0 324.384 3.024 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1ccc(Cl)cc1[O-] ZINC000841748240 630461578 /nfs/dbraw/zinc/46/15/78/630461578.db2.gz IKTZZAMBOPRSOD-NORZTCDRSA-N 0 0 311.809 3.034 20 10 DGCDRN C[C@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccc(Cl)cc1[O-] ZINC000841750790 630461778 /nfs/dbraw/zinc/46/17/78/630461778.db2.gz BINRGFDGAZVIMJ-JTQLQIEISA-N 0 0 323.849 3.241 20 10 DGCDRN C[C@@H](CCNC(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC000841773084 630464329 /nfs/dbraw/zinc/46/43/29/630464329.db2.gz VSDWUXQHXDJDSQ-HNNXBMFYSA-N 0 0 311.429 3.304 20 10 DGCDRN O=C([O-])CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841812648 630467112 /nfs/dbraw/zinc/46/71/12/630467112.db2.gz OTUGPZNBOKIHML-HOCLYGCPSA-N 0 0 303.402 3.135 20 10 DGCDRN CN(C)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000841813043 630467677 /nfs/dbraw/zinc/46/76/77/630467677.db2.gz SLVUYVPNWNZEIH-WBVHZDCISA-N 0 0 304.434 3.266 20 10 DGCDRN Cc1cccc([C@H](C)CNC(=O)NCCc2ccc(N)cc2)c1 ZINC000841834411 630470364 /nfs/dbraw/zinc/47/03/64/630470364.db2.gz QRTKXHZUYWRXDJ-OAHLLOKOSA-N 0 0 311.429 3.223 20 10 DGCDRN CCS[C@H]1CCC[C@@H](NC(=O)NCCc2ccc(N)cc2)C1 ZINC000841850597 630471397 /nfs/dbraw/zinc/47/13/97/630471397.db2.gz XQJNCCVDXDHZIB-CVEARBPZSA-N 0 0 321.490 3.175 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1ccccc1C(=O)N(C)C ZINC000841867916 630472449 /nfs/dbraw/zinc/47/24/49/630472449.db2.gz QPVRASQSOVHOBL-UHFFFAOYSA-N 0 0 324.424 3.350 20 10 DGCDRN C[C@H]1CCc2ccccc2[C@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841869854 630472681 /nfs/dbraw/zinc/47/26/81/630472681.db2.gz QZHHDHNQMKOXSG-LIRRHRJNSA-N 0 0 323.440 3.434 20 10 DGCDRN CO[C@@H](C[NH2+]Cc1cccc(Br)c1[O-])CC(C)C ZINC000841888990 630473441 /nfs/dbraw/zinc/47/34/41/630473441.db2.gz WEJHPQAKOGPEPX-GFCCVEGCSA-N 0 0 316.239 3.305 20 10 DGCDRN Nc1ccc(CCNC(=O)N[C@H]2C[C@H](c3ccccc3)C2)cc1 ZINC000841894806 630474334 /nfs/dbraw/zinc/47/43/34/630474334.db2.gz VVULWKLLXLTLDE-SAABIXHNSA-N 0 0 309.413 3.057 20 10 DGCDRN CCC1(c2ccccc2)CN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841955554 630476751 /nfs/dbraw/zinc/47/67/51/630476751.db2.gz GLBJICGHVQWBSB-UHFFFAOYSA-N 0 0 323.440 3.185 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CCC[C@@H]2C2CCCC2)cc1 ZINC000841957062 630476761 /nfs/dbraw/zinc/47/67/61/630476761.db2.gz MNBXLSLXEVUFTD-QGZVFWFLSA-N 0 0 301.434 3.176 20 10 DGCDRN CC(C)N(Cc1cccs1)C(=O)NCCc1ccc(N)cc1 ZINC000841957108 630476765 /nfs/dbraw/zinc/47/67/65/630476765.db2.gz OFLHHOJKCBQUHF-UHFFFAOYSA-N 0 0 317.458 3.493 20 10 DGCDRN C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)NCCc1ccc(N)cc1 ZINC000841957329 630476850 /nfs/dbraw/zinc/47/68/50/630476850.db2.gz HTLSPSKLVLYYOS-KXBFYZLASA-N 0 0 323.440 3.399 20 10 DGCDRN C[C@@H](c1ccco1)N(C(=O)NCCc1ccc(N)cc1)C1CC1 ZINC000841957360 630476852 /nfs/dbraw/zinc/47/68/52/630476852.db2.gz IMPRSMRPUUWQNX-ZDUSSCGKSA-N 0 0 313.401 3.340 20 10 DGCDRN Cc1ccccc1CCN(C)C(=O)NCCc1ccc(N)cc1 ZINC000841956180 630476865 /nfs/dbraw/zinc/47/68/65/630476865.db2.gz XPMJFJYOEYOCPD-UHFFFAOYSA-N 0 0 311.429 3.004 20 10 DGCDRN CON(C[C@H]1CCC[C@H](C)C1)C(=O)NCCc1ccc(N)cc1 ZINC000841956248 630476976 /nfs/dbraw/zinc/47/69/76/630476976.db2.gz ZSTCELOQWRADFL-HOCLYGCPSA-N 0 0 319.449 3.211 20 10 DGCDRN CC(C)(C)C[C@@H]1CCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841956164 630477002 /nfs/dbraw/zinc/47/70/02/630477002.db2.gz XEQPNJOKVKUNCD-HNNXBMFYSA-N 0 0 303.450 3.279 20 10 DGCDRN CC(=O)N(C)c1ccc(NC/C=C\c2ccc(N(C)C)cc2)cn1 ZINC000842223796 630506198 /nfs/dbraw/zinc/50/61/98/630506198.db2.gz PJIUDRMJKWSIQR-WAYWQWQTSA-N 0 0 324.428 3.256 20 10 DGCDRN CC(C)NC(=O)NCCSc1ncc(C(C)(C)C)s1 ZINC000842567967 630548277 /nfs/dbraw/zinc/54/82/77/630548277.db2.gz BZKFEBAEQKGVEZ-UHFFFAOYSA-N 0 0 301.481 3.240 20 10 DGCDRN C[C@@H](C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC(F)F ZINC000842727693 630568602 /nfs/dbraw/zinc/56/86/02/630568602.db2.gz QIDMLPXAZMYBDJ-SSDOTTSWSA-N 0 0 308.712 3.335 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)CCCSC)C2)cc1 ZINC000842880305 630588632 /nfs/dbraw/zinc/58/86/32/630588632.db2.gz WNACDUGPZZYPIM-AWEZNQCLSA-N 0 0 323.458 3.208 20 10 DGCDRN C[C@H]1C[C@@H](Nc2ccc3c(c2)nnn3C)c2c1c(F)ccc2O ZINC000842900490 630592161 /nfs/dbraw/zinc/59/21/61/630592161.db2.gz IYGYDIGIVMONDH-TVQRCGJNSA-N 0 0 312.348 3.473 20 10 DGCDRN COc1cccc(CNC(=O)Nc2cc(F)ccc2C)c1O ZINC000104974277 630600287 /nfs/dbraw/zinc/60/02/87/630600287.db2.gz OFXAUIBGXZSWBH-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN COc1cccc(CNC(=O)Nc2cc(C)cc(C)c2)c1O ZINC000104974009 630600437 /nfs/dbraw/zinc/60/04/37/630600437.db2.gz CSVDRQZSUNCZNQ-UHFFFAOYSA-N 0 0 300.358 3.339 20 10 DGCDRN COc1ccc(C)cc1NC(=O)NCc1cccc(OC)c1O ZINC000104974544 630600499 /nfs/dbraw/zinc/60/04/99/630600499.db2.gz SPSAVPGNPOGRNP-UHFFFAOYSA-N 0 0 316.357 3.040 20 10 DGCDRN C[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H]1C(=O)[O-] ZINC000843040133 630606430 /nfs/dbraw/zinc/60/64/30/630606430.db2.gz GRAVLDIXAATMNM-MAUKXSAKSA-N 0 0 316.445 3.220 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000843044189 630607691 /nfs/dbraw/zinc/60/76/91/630607691.db2.gz XNQYTRLLFJCOBI-UHFFFAOYSA-N 0 0 315.244 3.415 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000843048028 630608193 /nfs/dbraw/zinc/60/81/93/630608193.db2.gz JOJXUOCTUHQDSY-UONOGXRCSA-N 0 0 312.816 3.291 20 10 DGCDRN [NH3+]CCN(Cc1ccccc1)Cc1c([O-])ccc(Cl)c1F ZINC000843059003 630610163 /nfs/dbraw/zinc/61/01/63/630610163.db2.gz BYQLBTYIWKKDTD-UHFFFAOYSA-N 0 0 308.784 3.146 20 10 DGCDRN COc1ccc(NC(=O)NCc2cccc(OC)c2O)c(C)c1 ZINC000105033182 630616593 /nfs/dbraw/zinc/61/65/93/630616593.db2.gz LDNMCQNWPISNLC-UHFFFAOYSA-N 0 0 316.357 3.040 20 10 DGCDRN CC[C@H](C)Oc1cc(-c2nc(Cc3ccc(N)cc3)no2)ccn1 ZINC000843158637 630622781 /nfs/dbraw/zinc/62/27/81/630622781.db2.gz FAMXYTXQKWXPEN-LBPRGKRZSA-N 0 0 324.384 3.482 20 10 DGCDRN Nc1ccc(Cc2noc(-c3ccc4c(c3O)CCCC4)n2)cc1 ZINC000843159001 630623050 /nfs/dbraw/zinc/62/30/50/630623050.db2.gz KJEAOVSERHUGEE-UHFFFAOYSA-N 0 0 321.380 3.494 20 10 DGCDRN CCC(CC)n1ccc(-c2nc(Cc3ccc(N)cc3)no2)n1 ZINC000843160479 630623598 /nfs/dbraw/zinc/62/35/98/630623598.db2.gz YPQGZYDZMGLSET-UHFFFAOYSA-N 0 0 311.389 3.467 20 10 DGCDRN O=C([O-])[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000843306211 630644674 /nfs/dbraw/zinc/64/46/74/630644674.db2.gz OGBMCSONNFJXST-MSOLQXFVSA-N 0 0 316.445 3.410 20 10 DGCDRN COc1c(O)c(CNc2n[nH]c(C(C)C)c2C)ccc1[N+](=O)[O-] ZINC000843426215 630656947 /nfs/dbraw/zinc/65/69/47/630656947.db2.gz KZNBKQOBBYQZNO-UHFFFAOYSA-N 0 0 320.349 3.076 20 10 DGCDRN Nc1ccc(CC(=O)N[C@H](C2CCCCC2)C(F)(F)F)cc1 ZINC000843449382 630659867 /nfs/dbraw/zinc/65/98/67/630659867.db2.gz WYMYLNRSHSSJBQ-OAHLLOKOSA-N 0 0 314.351 3.439 20 10 DGCDRN CC1=C(C)C[C@@H](C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CC1 ZINC000843851876 630701950 /nfs/dbraw/zinc/70/19/50/630701950.db2.gz SLFIXYFDODRJIP-ZFWWWQNUSA-N 0 0 303.402 3.282 20 10 DGCDRN COc1ccc(CNC(=O)[C@H]2CCCC[C@@H]2C2CC2)c(O)c1 ZINC000843874431 630702308 /nfs/dbraw/zinc/70/23/08/630702308.db2.gz KKEDGRZGHNPHIC-CVEARBPZSA-N 0 0 303.402 3.233 20 10 DGCDRN CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)c2cccc(O)c2O)C1 ZINC000844033595 630707385 /nfs/dbraw/zinc/70/73/85/630707385.db2.gz PTWGKVAKJZDJHL-GXTWGEPZSA-N 0 0 303.402 3.386 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2CO[C@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000844105223 630709549 /nfs/dbraw/zinc/70/95/49/630709549.db2.gz IKNNUJSFSRWXNW-DOMZBBRYSA-N 0 0 316.376 3.140 20 10 DGCDRN COc1ccc(/C=C2\SC(=S)N(C3CC3)C2=O)c(F)c1 ZINC000844269481 630714885 /nfs/dbraw/zinc/71/48/85/630714885.db2.gz SSPGBEVXENWGBQ-SDQBBNPISA-N 0 0 309.387 3.198 20 10 DGCDRN CCN(C(C)=O)c1nc(CN(C)c2ccc(OC)cc2)cs1 ZINC000844353138 630720645 /nfs/dbraw/zinc/72/06/45/630720645.db2.gz IBSZVTCOULANNT-UHFFFAOYSA-N 0 0 319.430 3.161 20 10 DGCDRN COc1ccc(N(C)Cc2cc(-c3cnn(C)c3C)no2)cc1 ZINC000844353562 630720706 /nfs/dbraw/zinc/72/07/06/630720706.db2.gz YPCLBOXHMASAJS-UHFFFAOYSA-N 0 0 312.373 3.029 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2C[C@H](C)OCC23CCC3)c1O ZINC000844422782 630727861 /nfs/dbraw/zinc/72/78/61/630727861.db2.gz PFFBMXFDWLWZCL-NSHDSACASA-N 0 0 323.820 3.392 20 10 DGCDRN CSCC1(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000844484348 630734156 /nfs/dbraw/zinc/73/41/56/630734156.db2.gz DERZTYIQGLOFIM-CYBMUJFWSA-N 0 0 306.475 3.463 20 10 DGCDRN C[C@@H](NC(=O)Nc1ccc(F)nc1F)c1ccc(N(C)C)cc1 ZINC000844680801 630769853 /nfs/dbraw/zinc/76/98/53/630769853.db2.gz ZCAZNMRVZQQWNJ-SNVBAGLBSA-N 0 0 320.343 3.309 20 10 DGCDRN C[C@@H](N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)C(C)(C)C ZINC000844743796 630825412 /nfs/dbraw/zinc/82/54/12/630825412.db2.gz ZPWNDAOSQBMBPR-SNVBAGLBSA-N 0 0 324.808 3.244 20 10 DGCDRN CCc1ccc([C@@H](C)C(=O)NCc2cccc(OC)c2O)cc1 ZINC000105650030 630950542 /nfs/dbraw/zinc/95/05/42/630950542.db2.gz ZWHRXCDJEZPIQA-CYBMUJFWSA-N 0 0 313.397 3.383 20 10 DGCDRN COc1cccc(CNC(=O)c2ccc3ccccc3c2O)c1O ZINC000105652340 630950556 /nfs/dbraw/zinc/95/05/56/630950556.db2.gz KSXRBXVIVKWCEZ-UHFFFAOYSA-N 0 0 323.348 3.190 20 10 DGCDRN CC(C)c1cc(CNC(=O)NCc2cc(Cl)ccc2O)on1 ZINC000844973625 631017490 /nfs/dbraw/zinc/01/74/90/631017490.db2.gz LECRNHJHMWMABA-UHFFFAOYSA-N 0 0 323.780 3.156 20 10 DGCDRN CCCC(C)(C)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000845117915 631081552 /nfs/dbraw/zinc/08/15/52/631081552.db2.gz ZUQIATBPCHVQCF-UHFFFAOYSA-N 0 0 318.461 3.308 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)Cc2cc(C)no2)cc1 ZINC000845115880 631082043 /nfs/dbraw/zinc/08/20/43/631082043.db2.gz AENJUIPATILKKY-UHFFFAOYSA-N 0 0 315.417 3.030 20 10 DGCDRN C[C@@H](NC(=O)N1CC[C@@]2(CC2(F)F)C1)c1ccc(N(C)C)cc1 ZINC000845123701 631084445 /nfs/dbraw/zinc/08/44/45/631084445.db2.gz CZSJHIVRMWCBLJ-MLGOLLRUSA-N 0 0 323.387 3.254 20 10 DGCDRN C[C@H](NC(=O)NC1(C2CCC2)CC1)c1ccc(N(C)C)cc1 ZINC000845125935 631087182 /nfs/dbraw/zinc/08/71/82/631087182.db2.gz RUUBVYVOUGGHCA-ZDUSSCGKSA-N 0 0 301.434 3.446 20 10 DGCDRN CCN1C(=O)/C(=C\c2ccnc3ccccc23)SC1=S ZINC000005541074 631177743 /nfs/dbraw/zinc/17/77/43/631177743.db2.gz YOIDSDYCVAACPS-UKTHLTGXSA-N 0 0 300.408 3.456 20 10 DGCDRN CCn1nc(C)c([N+](=O)[O-])c1NCc1cc(Cl)ccc1O ZINC000845709095 631190512 /nfs/dbraw/zinc/19/05/12/631190512.db2.gz MPIWWVWQKCWUPF-UHFFFAOYSA-N 0 0 310.741 3.091 20 10 DGCDRN O=C(/C=C/C1CCCCCC1)NCCc1ccc(O)c(O)c1 ZINC000845834444 631198163 /nfs/dbraw/zinc/19/81/63/631198163.db2.gz VYDMBQXNAKNFBX-CSKARUKUSA-N 0 0 303.402 3.283 20 10 DGCDRN CCC[C@H](C)[C@@H](CO)[NH2+]Cc1cccc(Br)c1[O-] ZINC000846017135 631206248 /nfs/dbraw/zinc/20/62/48/631206248.db2.gz LJVPFQDTPUQZSJ-GXFFZTMASA-N 0 0 316.239 3.041 20 10 DGCDRN C[C@]1(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C[C@]1(F)Cl ZINC000846039116 631207532 /nfs/dbraw/zinc/20/75/32/631207532.db2.gz UEZFOZWJTKXTKQ-QWHCGFSZSA-N 0 0 302.733 3.095 20 10 DGCDRN COc1cccc([C@H](C)N[C@@H](C)c2nnc(C(C)C)[nH]2)c1O ZINC000846155738 631212532 /nfs/dbraw/zinc/21/25/32/631212532.db2.gz CIDGVCYMGYGHQO-QWRGUYRKSA-N 0 0 304.394 3.054 20 10 DGCDRN COc1cccc([C@@H](C)N[C@H](C(=O)OC(C)(C)C)C(C)C)c1O ZINC000846160269 631212755 /nfs/dbraw/zinc/21/27/55/631212755.db2.gz NPJVSAGMACCBRU-DOMZBBRYSA-N 0 0 323.433 3.418 20 10 DGCDRN CC[C@H](C)c1nnc([C@H](C)N[C@@H](C)c2cccc(OC)c2O)[nH]1 ZINC000846167011 631213174 /nfs/dbraw/zinc/21/31/74/631213174.db2.gz QRPGHNGCGDBEKQ-SRVKXCTJSA-N 0 0 318.421 3.444 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1cccc(Cl)c1[O-] ZINC000846206270 631214761 /nfs/dbraw/zinc/21/47/61/631214761.db2.gz OYXNBHSREYCYJM-IAQYHMDHSA-N 0 0 322.836 3.097 20 10 DGCDRN CC[C@@H]([NH2+][C@H](CO)CCF)c1cc(Cl)cc(Cl)c1[O-] ZINC000846209671 631214957 /nfs/dbraw/zinc/21/49/57/631214957.db2.gz RYPLDODPZRCIEJ-JOYOIKCWSA-N 0 0 310.196 3.460 20 10 DGCDRN CCN(C)c1ccc(C[NH+]2CCC(CCC(=O)[O-])CC2)cc1 ZINC000846225663 631215607 /nfs/dbraw/zinc/21/56/07/631215607.db2.gz PULXMBPMXACXIY-UHFFFAOYSA-N 0 0 304.434 3.220 20 10 DGCDRN C=C/C(C)=C/CC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000846441875 631246642 /nfs/dbraw/zinc/24/66/42/631246642.db2.gz FHUOJGHWRDLFQX-VIZOYTHASA-N 0 0 302.418 3.112 20 10 DGCDRN CC(C)CCSCC(=O)NCc1cc(Cl)ccc1O ZINC000846472348 631248537 /nfs/dbraw/zinc/24/85/37/631248537.db2.gz IMULVTWWKVVAFX-UHFFFAOYSA-N 0 0 301.839 3.441 20 10 DGCDRN CC[C@@H](C)n1nc(C(=O)NCc2cc(Cl)ccc2O)cc1C ZINC000846473216 631249474 /nfs/dbraw/zinc/24/94/74/631249474.db2.gz KIKJKPGZMXRBGO-SNVBAGLBSA-N 0 0 321.808 3.452 20 10 DGCDRN CC(C)Oc1ccc(C(=O)NCc2cc(Cl)ccc2O)nc1 ZINC000846473978 631249521 /nfs/dbraw/zinc/24/95/21/631249521.db2.gz PGWLLBTYYQVJAV-UHFFFAOYSA-N 0 0 320.776 3.158 20 10 DGCDRN CCOc1nccc(C)c1C(=O)NCc1cc(Cl)ccc1O ZINC000846472844 631249561 /nfs/dbraw/zinc/24/95/61/631249561.db2.gz GDBHYNMUAVWJKN-UHFFFAOYSA-N 0 0 320.776 3.078 20 10 DGCDRN Cc1noc(C)c1[C@@H](C)C(=O)NCc1cc(Cl)ccc1O ZINC000846473159 631249690 /nfs/dbraw/zinc/24/96/90/631249690.db2.gz PXALNLNWLWFQLL-MRVPVSSYSA-N 0 0 308.765 3.070 20 10 DGCDRN C[C@H]1CCCC[C@H]1OCC(=O)NCc1cc(Cl)ccc1O ZINC000846476352 631250309 /nfs/dbraw/zinc/25/03/09/631250309.db2.gz NQZPGTBSSPIVNT-XHDPSFHLSA-N 0 0 311.809 3.257 20 10 DGCDRN C[C@H]1CCCc2ncc(C(=O)NCc3cc(Cl)ccc3O)n21 ZINC000846475294 631250598 /nfs/dbraw/zinc/25/05/98/631250598.db2.gz BTHWQGUPQGSKHX-JTQLQIEISA-N 0 0 319.792 3.069 20 10 DGCDRN CCCn1nc(C)c(C(=O)NCc2cc(Cl)ccc2O)c1C ZINC000846476755 631250677 /nfs/dbraw/zinc/25/06/77/631250677.db2.gz PTOWNHBOUMIBAN-UHFFFAOYSA-N 0 0 321.808 3.199 20 10 DGCDRN CC[C@@H](OCCNC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000846657780 631280170 /nfs/dbraw/zinc/28/01/70/631280170.db2.gz GGDZLEPWTSEXML-CQSZACIVSA-N 0 0 305.399 3.351 20 10 DGCDRN O=C(NCC1(c2ccccc2F)CCC1)C1=CC(=O)CS1 ZINC000846655286 631280523 /nfs/dbraw/zinc/28/05/23/631280523.db2.gz PNXLRHDRZKJGKM-UHFFFAOYSA-N 0 0 305.374 3.445 20 10 DGCDRN COc1cc(N(C)Cc2c(C)nsc2C)cc(OC)c1OC ZINC000846808440 631313039 /nfs/dbraw/zinc/31/30/39/631313039.db2.gz ZZFDHZPMCRHMGQ-UHFFFAOYSA-N 0 0 322.430 3.422 20 10 DGCDRN COc1cccc2c1N(C(=O)/C(C)=C/c1cccnc1)CCC2 ZINC000846813292 631314351 /nfs/dbraw/zinc/31/43/51/631314351.db2.gz ZMGUHVAUVLDKRB-WYMLVPIESA-N 0 0 308.381 3.473 20 10 DGCDRN COc1cccc2c1N(C(=O)/C(C)=C\c1cccnc1)CCC2 ZINC000846813288 631314444 /nfs/dbraw/zinc/31/44/44/631314444.db2.gz ZMGUHVAUVLDKRB-OWBHPGMISA-N 0 0 308.381 3.473 20 10 DGCDRN Cc1nn(C(C)C)cc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000846874774 631336224 /nfs/dbraw/zinc/33/62/24/631336224.db2.gz BATNEUFJYQSTBJ-UHFFFAOYSA-N 0 0 314.433 3.077 20 10 DGCDRN C/C(=C\c1ccccn1)C(=O)NCc1ccc(N(C)C)cc1C ZINC000846876650 631336883 /nfs/dbraw/zinc/33/68/83/631336883.db2.gz WGQSIHJSDJRTLA-RVDMUPIBSA-N 0 0 309.413 3.176 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1CCc2ccc(F)cc21 ZINC000106577204 631340747 /nfs/dbraw/zinc/34/07/47/631340747.db2.gz VTBNNUIIFOJISA-INIZCTEOSA-N 0 0 314.360 3.360 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CCC(C(C)=O)CC2)c1O ZINC000846949884 631362751 /nfs/dbraw/zinc/36/27/51/631362751.db2.gz GELZYBDRHVMLGZ-UHFFFAOYSA-N 0 0 309.793 3.049 20 10 DGCDRN CC(C)OC[C@@H](O)CN(C)c1ccc(-c2nccs2)cc1 ZINC000846990874 631375255 /nfs/dbraw/zinc/37/52/55/631375255.db2.gz GDNRVTOFBIIDKJ-HNNXBMFYSA-N 0 0 306.431 3.032 20 10 DGCDRN COC(=O)/C(C)=C\CN(C)c1ccc(-c2nccs2)cc1 ZINC000846995821 631377291 /nfs/dbraw/zinc/37/72/91/631377291.db2.gz PSMPHRSRDYTJMP-WQLSENKSSA-N 0 0 302.399 3.366 20 10 DGCDRN COC[C@@H](CC(C)(C)C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000847278212 631452172 /nfs/dbraw/zinc/45/21/72/631452172.db2.gz YNGYECDSCGOYOP-OAHLLOKOSA-N 0 0 321.465 3.003 20 10 DGCDRN C/C(=C\c1cccnc1)C(=O)NCCCSc1nccs1 ZINC000847487810 631481273 /nfs/dbraw/zinc/48/12/73/631481273.db2.gz LJULTQXIIQDMPK-ZRDIBKRKSA-N 0 0 319.455 3.240 20 10 DGCDRN COc1ccc2c(c1)[C@@H](C(=O)NCc1ccccc1O)CCC2 ZINC000847590158 631493684 /nfs/dbraw/zinc/49/36/84/631493684.db2.gz VMNJUECTEMAJCA-INIZCTEOSA-N 0 0 311.381 3.137 20 10 DGCDRN COC[C@H](C)CCOC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000847869623 631564189 /nfs/dbraw/zinc/56/41/89/631564189.db2.gz AERKVGOUSQIKNB-CYBMUJFWSA-N 0 0 316.401 3.319 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](C)Cc1c[nH]cn1 ZINC000848046765 631603353 /nfs/dbraw/zinc/60/33/53/631603353.db2.gz ZHWKVTATWXDUQM-CQSZACIVSA-N 0 0 315.417 3.123 20 10 DGCDRN COC(=O)c1cnc(SCc2c(C)nsc2C)s1 ZINC000848439904 631662855 /nfs/dbraw/zinc/66/28/55/631662855.db2.gz YCUYCRGGLAXDFW-UHFFFAOYSA-N 0 0 300.430 3.295 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000848570260 631697716 /nfs/dbraw/zinc/69/77/16/631697716.db2.gz JSWJMTUUYVJOOT-GXTWGEPZSA-N 0 0 320.389 3.443 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000848575018 631700181 /nfs/dbraw/zinc/70/01/81/631700181.db2.gz KSJJAOSNYFUUAW-UONOGXRCSA-N 0 0 312.816 3.291 20 10 DGCDRN CCCCCCOCC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000107767644 631727068 /nfs/dbraw/zinc/72/70/68/631727068.db2.gz RQEUKHWPAJCWQA-ZDUSSCGKSA-N 0 0 309.406 3.175 20 10 DGCDRN CCc1cccc(CN2C[C@H](C(F)(F)F)O[C@@H](C)C2)c1O ZINC000848888111 631772845 /nfs/dbraw/zinc/77/28/45/631772845.db2.gz MFWUULZCCXDRKK-GXFFZTMASA-N 0 0 303.324 3.106 20 10 DGCDRN CCc1cccc(CNc2cccc([C@H]3CNC(=O)C3)c2)c1O ZINC000848890730 631774600 /nfs/dbraw/zinc/77/46/00/631774600.db2.gz KTSWLKKBAHDOKB-MRXNPFEDSA-N 0 0 310.397 3.170 20 10 DGCDRN CCc1cccc(CNc2ccc3c(c2)C(=O)N(C)CC3)c1O ZINC000848901057 631779443 /nfs/dbraw/zinc/77/94/43/631779443.db2.gz NYHVYUFAVYYRCU-UHFFFAOYSA-N 0 0 310.397 3.195 20 10 DGCDRN CCc1cccc(CN[C@@H](C)c2ncc(C(=O)OC)s2)c1O ZINC000848917477 631786546 /nfs/dbraw/zinc/78/65/46/631786546.db2.gz GXKQDNIJFCJNFU-JTQLQIEISA-N 0 0 320.414 3.049 20 10 DGCDRN CN(C)c1ccc(C[N@@H+]2CCC[C@H](OC3CCC3)C2)cc1F ZINC000848925320 631789644 /nfs/dbraw/zinc/78/96/44/631789644.db2.gz SQQAWYJYNJEUSP-INIZCTEOSA-N 0 0 306.425 3.425 20 10 DGCDRN CC1CCN(c2ccc(CNC(=S)NCC3CC3)cc2)CC1 ZINC000849258468 631869164 /nfs/dbraw/zinc/86/91/64/631869164.db2.gz ONDAXXLTXPMGQS-UHFFFAOYSA-N 0 0 317.502 3.297 20 10 DGCDRN COc1cnc(NCc2cc(OC)cc(C(C)(C)C)c2O)nc1 ZINC000849346231 631898621 /nfs/dbraw/zinc/89/86/21/631898621.db2.gz PLARIMFLRGBRGA-UHFFFAOYSA-N 0 0 317.389 3.109 20 10 DGCDRN CCc1noc(NCc2cc(OC)cc(C(C)(C)C)c2O)n1 ZINC000849346238 631898838 /nfs/dbraw/zinc/89/88/38/631898838.db2.gz PRTQZDBJQGKHDM-UHFFFAOYSA-N 0 0 305.378 3.256 20 10 DGCDRN CCN(C(C)=O)c1ccc(NCc2cc(C)c(C)cc2O)cn1 ZINC000849347066 631899669 /nfs/dbraw/zinc/89/96/69/631899669.db2.gz PKTOEQRFVXIKHL-UHFFFAOYSA-N 0 0 313.401 3.389 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CSCc2ccccc2)cc1 ZINC000007353085 632101109 /nfs/dbraw/zinc/10/11/09/632101109.db2.gz FLXRTMBJSUTDFN-UHFFFAOYSA-N 0 0 314.454 3.302 20 10 DGCDRN Cc1cc(O)c(CNc2cccc3c2CCN(C)C3=O)cc1C ZINC000850384021 632135068 /nfs/dbraw/zinc/13/50/68/632135068.db2.gz XXPSBVDTKQSVGQ-UHFFFAOYSA-N 0 0 310.397 3.249 20 10 DGCDRN COC[C@@H](CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-])OC ZINC000850485438 632166998 /nfs/dbraw/zinc/16/69/98/632166998.db2.gz IDLZLUDAEYGXOY-NXEZZACHSA-N 0 0 322.232 3.401 20 10 DGCDRN COC[C@H](CC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-])OC ZINC000850485376 632167197 /nfs/dbraw/zinc/16/71/97/632167197.db2.gz GOWMLXSDYWSEOU-ZJUUUORDSA-N 0 0 322.232 3.401 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC[C@]2(C)CC2(F)F)c1 ZINC000850535768 632185298 /nfs/dbraw/zinc/18/52/98/632185298.db2.gz BEXUXLAUHMKTKM-MEBBXXQBSA-N 0 0 313.344 3.265 20 10 DGCDRN COc1ccc([C@@H]2C[C@H]2CC(=O)NCc2ccc(N)cc2)cc1 ZINC000850711954 632207428 /nfs/dbraw/zinc/20/74/28/632207428.db2.gz UCLSHMCIJIDMLV-YJBOKZPZSA-N 0 0 310.397 3.087 20 10 DGCDRN CCCCC[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(N)cc1 ZINC000850860297 632240847 /nfs/dbraw/zinc/24/08/47/632240847.db2.gz ZYNVDAAGBNSLOX-INIZCTEOSA-N 0 0 317.433 3.169 20 10 DGCDRN CC1(C)C[C@]1(C(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC000851632786 632463595 /nfs/dbraw/zinc/46/35/95/632463595.db2.gz WRRNZGJBGISVMH-HXUWFJFHSA-N 0 0 308.425 3.295 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CC[C@@H](C3CCCCC3)C2)cc1 ZINC000851662217 632467880 /nfs/dbraw/zinc/46/78/80/632467880.db2.gz CNZWHXMENQYMJG-QGZVFWFLSA-N 0 0 315.461 3.423 20 10 DGCDRN Nc1ccc(CCNC(=O)NC2CCC(C3CCC3)CC2)cc1 ZINC000851664782 632468131 /nfs/dbraw/zinc/46/81/31/632468131.db2.gz KQNAKQCMFWZKSH-UHFFFAOYSA-N 0 0 315.461 3.469 20 10 DGCDRN COc1ccc(N(CC(C)C)C[C@@H](OC)[C@H]2CCOC2)cc1 ZINC000851829490 632504465 /nfs/dbraw/zinc/50/44/65/632504465.db2.gz IFNSNMAHWQQCSH-MAUKXSAKSA-N 0 0 307.434 3.209 20 10 DGCDRN COc1ccc(N(CC(C)C)C[C@@H](OC)[C@@H]2CCOC2)cc1 ZINC000851829482 632504947 /nfs/dbraw/zinc/50/49/47/632504947.db2.gz IFNSNMAHWQQCSH-CRAIPNDOSA-N 0 0 307.434 3.209 20 10 DGCDRN COc1ccc(N(C[C@@H](OC)[C@@H]2CCOC2)C(C)C)cc1F ZINC000851835666 632506064 /nfs/dbraw/zinc/50/60/64/632506064.db2.gz DGEDLVHHFGOVGI-CXAGYDPISA-N 0 0 311.397 3.101 20 10 DGCDRN CC[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000851988065 632534144 /nfs/dbraw/zinc/53/41/44/632534144.db2.gz RXPVCBZJMDSREC-QGZVFWFLSA-N 0 0 301.434 3.275 20 10 DGCDRN CN(C[C@H]1CC1(C)C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000851988315 632535149 /nfs/dbraw/zinc/53/51/49/632535149.db2.gz XIZXXOZRIBWKMC-MRXNPFEDSA-N 0 0 315.461 3.474 20 10 DGCDRN CC[C@H](C)CCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000852138472 632561443 /nfs/dbraw/zinc/56/14/43/632561443.db2.gz OTYWIFITWICZLG-HNNXBMFYSA-N 0 0 301.434 3.298 20 10 DGCDRN COc1ccc(N(C)C[C@H]2CCCN(C(=O)C(C)(C)C)C2)cc1 ZINC000852210051 632571574 /nfs/dbraw/zinc/57/15/74/632571574.db2.gz WUKXEWJQBODSJV-OAHLLOKOSA-N 0 0 318.461 3.416 20 10 DGCDRN CCSC1(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000852261767 632578004 /nfs/dbraw/zinc/57/80/04/632578004.db2.gz VGSLGEMEKFZYSA-ZDUSSCGKSA-N 0 0 321.490 3.399 20 10 DGCDRN Cc1ccc([C@@H](C)[NH2+]CCN2CCc3ccccc3C2)c(O)c1 ZINC000184923850 660195312 /nfs/dbraw/zinc/19/53/12/660195312.db2.gz WUIQHOAHGDSOBL-MRXNPFEDSA-N 0 0 310.441 3.410 20 10 DGCDRN CC[C@H]1[C@H](C)CCN1C(=O)NCCCSc1nccs1 ZINC000185648613 660235510 /nfs/dbraw/zinc/23/55/10/660235510.db2.gz SKLDGNWXFCZZQB-NEPJUHHUSA-N 0 0 313.492 3.455 20 10 DGCDRN C[C@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000186189686 660334954 /nfs/dbraw/zinc/33/49/54/660334954.db2.gz WWABCROATLMCJR-GTNSWQLSSA-N 0 0 307.340 3.229 20 10 DGCDRN C[C@H](Nc1cnn(Cc2ccccn2)c1)c1cc(F)ccc1O ZINC000186390749 660380155 /nfs/dbraw/zinc/38/01/55/660380155.db2.gz RPXDBKRLZLEJRL-LBPRGKRZSA-N 0 0 312.348 3.344 20 10 DGCDRN C[C@@H](Nc1cnn(Cc2ccncc2)c1)c1cc(F)ccc1O ZINC000186390037 660380192 /nfs/dbraw/zinc/38/01/92/660380192.db2.gz MIPJWADLLGBTBK-GFCCVEGCSA-N 0 0 312.348 3.344 20 10 DGCDRN Cc1ncsc1/C=C/C(=O)N1C[C@@H](C)Oc2cc(F)ccc21 ZINC000186585075 660550287 /nfs/dbraw/zinc/55/02/87/660550287.db2.gz NACPUFIZDGNMRQ-BRAIEQGRSA-N 0 0 318.373 3.418 20 10 DGCDRN Cc1ncsc1/C=C/C(=O)N1C[C@H](C)Oc2cc(F)ccc21 ZINC000186585055 660550537 /nfs/dbraw/zinc/55/05/37/660550537.db2.gz NACPUFIZDGNMRQ-PORFMDCZSA-N 0 0 318.373 3.418 20 10 DGCDRN COc1cccc(CNC(=O)NCc2ccc(C)cc2C)c1O ZINC000073777478 660553331 /nfs/dbraw/zinc/55/33/31/660553331.db2.gz HSOXLWNXQIANSH-UHFFFAOYSA-N 0 0 314.385 3.017 20 10 DGCDRN Cc1ncsc1/C=C/C(=O)N1CCN(C)c2cc(F)ccc21 ZINC000186617832 660553809 /nfs/dbraw/zinc/55/38/09/660553809.db2.gz VAABWBPXEAHDNJ-AATRIKPKSA-N 0 0 317.389 3.087 20 10 DGCDRN Cc1nc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)n(C)n1 ZINC000186915726 660586471 /nfs/dbraw/zinc/58/64/71/660586471.db2.gz YPQKJHXDIOOOME-UHFFFAOYSA-N 0 0 323.400 3.092 20 10 DGCDRN CC(C)O[C@@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000701727808 660681340 /nfs/dbraw/zinc/68/13/40/660681340.db2.gz GQMNIUREZQDDKB-GFCCVEGCSA-N 0 0 314.223 3.154 20 10 DGCDRN C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Br)c2[O-])CO1 ZINC000708114989 660917986 /nfs/dbraw/zinc/91/79/86/660917986.db2.gz QQQHOMVCAZQMGD-XVKPBYJWSA-N 0 0 320.614 3.075 20 10 DGCDRN CC[C@H](C[NH2+]Cc1cc(Cl)cc(Br)c1[O-])OC ZINC000708100275 660918066 /nfs/dbraw/zinc/91/80/66/660918066.db2.gz UWVCWUVUEFRFSB-SNVBAGLBSA-N 0 0 322.630 3.323 20 10 DGCDRN COC[C@H](C)C[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708098977 660918096 /nfs/dbraw/zinc/91/80/96/660918096.db2.gz NSXSGBHMLJKSDE-MRVPVSSYSA-N 0 0 322.630 3.180 20 10 DGCDRN CO[C@@H](C)CC[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708100201 660918166 /nfs/dbraw/zinc/91/81/66/660918166.db2.gz UDSKEMVEIRNJOU-QMMMGPOBSA-N 0 0 322.630 3.323 20 10 DGCDRN C[C@@H](O)CCC[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708098273 660918184 /nfs/dbraw/zinc/91/81/84/660918184.db2.gz GQEBMYXNWRVPSS-MRVPVSSYSA-N 0 0 322.630 3.059 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cc2ccccn2c1 ZINC000074217420 660963888 /nfs/dbraw/zinc/96/38/88/660963888.db2.gz RAORPCKVICOIBF-UHFFFAOYSA-N 0 0 319.408 3.470 20 10 DGCDRN COC(=O)CN(CCCCCF)Cc1cc(Cl)ccc1O ZINC000792869260 660990286 /nfs/dbraw/zinc/99/02/86/660990286.db2.gz BAVKXCUQOUDVBF-UHFFFAOYSA-N 0 0 317.788 3.160 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)C[C@H]2CCCOC2)cc1 ZINC000792880680 660990781 /nfs/dbraw/zinc/99/07/81/660990781.db2.gz AWYIFOIFEWPTDY-QGZVFWFLSA-N 0 0 318.461 3.308 20 10 DGCDRN COc1ccc(CNC(=O)NCC[C@@H]2CCC[C@H](C)C2)c(O)c1 ZINC000792944713 660996100 /nfs/dbraw/zinc/99/61/00/660996100.db2.gz DNFYCULPTLBORV-KBPBESRZSA-N 0 0 320.433 3.416 20 10 DGCDRN COc1ccc(CNC(=O)NCC[C@@H]2CCCC[C@H]2C)c(O)c1 ZINC000792943883 660996170 /nfs/dbraw/zinc/99/61/70/660996170.db2.gz ZRFZSYCRZKERLF-KGLIPLIRSA-N 0 0 320.433 3.416 20 10 DGCDRN C[C@H]1CC[C@@H](CNC(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000792953084 660996426 /nfs/dbraw/zinc/99/64/26/660996426.db2.gz XJNQXTDQRVPMRU-QWHCGFSZSA-N 0 0 307.413 3.127 20 10 DGCDRN COc1ccc(CNC(=O)N[C@H]2C[C@H](C)C[C@H](C)C2)c(O)c1 ZINC000792954535 660997064 /nfs/dbraw/zinc/99/70/64/660997064.db2.gz LCGLZRFPYGJGJP-IMRBUKKESA-N 0 0 306.406 3.025 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NCC2(C)CCC(C)CC2)c1 ZINC000793017759 661000566 /nfs/dbraw/zinc/00/05/66/661000566.db2.gz SXSWMYFCMMDLLI-UHFFFAOYSA-N 0 0 320.433 3.416 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H]2CCCC(C)(C)C2)c(O)c1 ZINC000793067270 661003477 /nfs/dbraw/zinc/00/34/77/661003477.db2.gz NISFKBDOMRVYDD-CYBMUJFWSA-N 0 0 306.406 3.169 20 10 DGCDRN O=C(C[C@@H]1CCCOC1)NCc1ccc(N2CCCCC2)cc1 ZINC000793243823 661017423 /nfs/dbraw/zinc/01/74/23/661017423.db2.gz YHOAPVLQXLGZSY-KRWDZBQOSA-N 0 0 316.445 3.110 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCCSC(C)C ZINC000806012808 661023978 /nfs/dbraw/zinc/02/39/78/661023978.db2.gz HWGSAWGRJJRGOR-UHFFFAOYSA-N 0 0 309.479 3.002 20 10 DGCDRN CC[C@H](C)CC[C@H](O)CC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000793690334 661053660 /nfs/dbraw/zinc/05/36/60/661053660.db2.gz VFFODAZFXTVHCQ-IHRRRGAJSA-N 0 0 323.433 3.155 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@](C)(CO)C(C)C)cc1 ZINC000793732875 661054675 /nfs/dbraw/zinc/05/46/75/661054675.db2.gz MNMLIWPXCHAOCF-LJQANCHMSA-N 0 0 314.429 3.231 20 10 DGCDRN CC[C@@H]1CC[N@@H+]1Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000793823989 661058996 /nfs/dbraw/zinc/05/89/96/661058996.db2.gz QXGOICCFOBHSTH-CQSZACIVSA-N 0 0 311.381 3.313 20 10 DGCDRN COc1ccc(CNC(=O)c2cc3cc(C)ccc3o2)c(O)c1 ZINC000794369151 661081128 /nfs/dbraw/zinc/08/11/28/661081128.db2.gz CTQTXTWLPAQMSR-UHFFFAOYSA-N 0 0 311.337 3.385 20 10 DGCDRN COc1ccc(CNC(=O)Cc2ccc(F)cc2Cl)c(O)c1 ZINC000794373096 661081540 /nfs/dbraw/zinc/08/15/40/661081540.db2.gz GNGTVTSRFSHLCD-UHFFFAOYSA-N 0 0 323.751 3.052 20 10 DGCDRN COc1ccc(CNC(=O)c2ccc(F)c(SC)c2)c(O)c1 ZINC000794374758 661081561 /nfs/dbraw/zinc/08/15/61/661081561.db2.gz YLGMUNWCVJPWBI-UHFFFAOYSA-N 0 0 321.373 3.192 20 10 DGCDRN COc1ccc(CNC(=O)C/C=C\c2ccc(F)cc2)c(O)c1 ZINC000794380467 661081926 /nfs/dbraw/zinc/08/19/26/661081926.db2.gz DQIXREQTYZPCFJ-IHWYPQMZSA-N 0 0 315.344 3.260 20 10 DGCDRN COc1ccc(CNC(=O)c2cc3ccccc3cc2O)c(O)c1 ZINC000794376893 661081930 /nfs/dbraw/zinc/08/19/30/661081930.db2.gz LJJWSTBNNONNDN-UHFFFAOYSA-N 0 0 323.348 3.190 20 10 DGCDRN COc1ccc(CNC(=O)[C@H](C)Cc2ccccc2F)c(O)c1 ZINC000794387362 661082056 /nfs/dbraw/zinc/08/20/56/661082056.db2.gz FAQDAYFNLHCLDL-GFCCVEGCSA-N 0 0 317.360 3.035 20 10 DGCDRN COc1ccc(CNC(=O)Nc2ccc(C)c(C)c2)c(O)c1 ZINC000794760601 661104463 /nfs/dbraw/zinc/10/44/63/661104463.db2.gz TWQAHGUQLDVEDB-UHFFFAOYSA-N 0 0 300.358 3.339 20 10 DGCDRN CC[C@H](Nc1ccc(N(C)CCO)cn1)c1ccc(C)cc1O ZINC000794811792 661106440 /nfs/dbraw/zinc/10/64/40/661106440.db2.gz HYDCHTFQNGOWJF-INIZCTEOSA-N 0 0 315.417 3.087 20 10 DGCDRN Cc1oc(C2CC2)nc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000794853341 661109432 /nfs/dbraw/zinc/10/94/32/661109432.db2.gz LISOFBYIHMSVBQ-UHFFFAOYSA-N 0 0 313.401 3.199 20 10 DGCDRN CCOC(=O)c1cc(N(C)Cc2ccccc2O)ncc1Cl ZINC000795119485 661127643 /nfs/dbraw/zinc/12/76/43/661127643.db2.gz METOSIGPXFLKKG-UHFFFAOYSA-N 0 0 320.776 3.254 20 10 DGCDRN CN1CCCc2cc(CNC(=O)[C@H]3CCC(F)(F)C3)ccc21 ZINC000795056549 661124708 /nfs/dbraw/zinc/12/47/08/661124708.db2.gz QPNDAXJRKFFBAK-AWEZNQCLSA-N 0 0 308.372 3.121 20 10 DGCDRN COc1ccc(CNc2ncc(Br)cc2C)c(O)c1 ZINC000795284904 661138245 /nfs/dbraw/zinc/13/82/45/661138245.db2.gz MLPGCHALJKBENL-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN COc1ccc(CNc2ccnc(-c3ccccc3)n2)c(O)c1 ZINC000795290525 661138716 /nfs/dbraw/zinc/13/87/16/661138716.db2.gz UMXYVDGZUMOCGV-UHFFFAOYSA-N 0 0 307.353 3.470 20 10 DGCDRN O=C1NC(=S)S/C1=C/c1ccccc1OC1CCCC1 ZINC000255112791 655600699 /nfs/dbraw/zinc/60/06/99/655600699.db2.gz LJECKKIRMGQCMQ-UKTHLTGXSA-N 0 0 305.424 3.497 20 10 DGCDRN Cc1cc(C)c(O)c(CN2C[C@H](C(F)(F)F)OC[C@@H]2C)c1 ZINC000795689837 661167746 /nfs/dbraw/zinc/16/77/46/661167746.db2.gz GOTXJUATXSPTBY-WCQYABFASA-N 0 0 303.324 3.161 20 10 DGCDRN Cc1cc(C)c(O)c(CN2C[C@H](C(F)(F)F)OC[C@H]2C)c1 ZINC000795689836 661167801 /nfs/dbraw/zinc/16/78/01/661167801.db2.gz GOTXJUATXSPTBY-DGCLKSJQSA-N 0 0 303.324 3.161 20 10 DGCDRN COc1ccc(N(Cc2nncn2C)Cc2ccccc2)cc1 ZINC000160740128 655673648 /nfs/dbraw/zinc/67/36/48/655673648.db2.gz DKQVADSVXCFJHH-UHFFFAOYSA-N 0 0 308.385 3.031 20 10 DGCDRN COc1cccc(CNC(=O)/C=C\Sc2ccccc2)c1O ZINC000255285741 655681691 /nfs/dbraw/zinc/68/16/91/655681691.db2.gz FFLIYBNQLQYZFM-KHPPLWFESA-N 0 0 315.394 3.323 20 10 DGCDRN CNC(=O)C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1ccccc1 ZINC000795848853 661175930 /nfs/dbraw/zinc/17/59/30/661175930.db2.gz AQFXRANGZNOEEZ-MLGOLLRUSA-N 0 0 316.376 3.059 20 10 DGCDRN CC[C@@](C)(NC(=O)NCc1c(O)cccc1F)C(F)(F)F ZINC000933502332 655716761 /nfs/dbraw/zinc/71/67/61/655716761.db2.gz PZCLKCZYXLBGCS-GFCCVEGCSA-N 0 0 308.275 3.062 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H]2C2CC2)cc1F ZINC000176036264 655720714 /nfs/dbraw/zinc/72/07/14/655720714.db2.gz RQFVSOMQLCDTTM-LSDHHAIUSA-N 0 0 304.409 3.334 20 10 DGCDRN Cc1ccc2c(c1)O[C@H](C)CN2C(=O)/C=C\c1cncc(F)c1 ZINC000255382349 655723179 /nfs/dbraw/zinc/72/31/79/655723179.db2.gz YCMDNZMEDUQGCJ-RYWCDNDXSA-N 0 0 312.344 3.356 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CSc2cccc(F)c2)cc1 ZINC000084841420 655725845 /nfs/dbraw/zinc/72/58/45/655725845.db2.gz LVEMQKYUNLZXOI-UHFFFAOYSA-N 0 0 318.417 3.300 20 10 DGCDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)NC1CC1 ZINC000255474371 655759171 /nfs/dbraw/zinc/75/91/71/655759171.db2.gz IUKMQKYZIQYOCC-UHFFFAOYSA-N 0 0 308.341 3.319 20 10 DGCDRN COc1ccc(CNC(=O)c2cccc(F)c2SC)c(O)c1 ZINC000798006684 661187195 /nfs/dbraw/zinc/18/71/95/661187195.db2.gz VRGAOUMSVPFCAM-UHFFFAOYSA-N 0 0 321.373 3.192 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCN1CCCCC1 ZINC000049574558 655781241 /nfs/dbraw/zinc/78/12/41/655781241.db2.gz SROPWGJAIGZAIV-UHFFFAOYSA-N 0 0 303.233 3.275 20 10 DGCDRN COc1cccc(CNC(=O)/C=C\c2ccc(Cl)cc2)c1O ZINC000255512752 655783307 /nfs/dbraw/zinc/78/33/07/655783307.db2.gz RCRWLDJEJFFHCU-YFHOEESVSA-N 0 0 317.772 3.384 20 10 DGCDRN C[C@H](CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C1CC1 ZINC000065561758 655784973 /nfs/dbraw/zinc/78/49/73/655784973.db2.gz QICPPHGUFZENJQ-HUUCEWRRSA-N 0 0 316.445 3.137 20 10 DGCDRN C[C@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)[C@H]1C ZINC000178617736 655787317 /nfs/dbraw/zinc/78/73/17/655787317.db2.gz ZCKRFEJRJRWPCF-KBPBESRZSA-N 0 0 301.434 3.009 20 10 DGCDRN CNC(=O)C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])c1ccccc1 ZINC000796035999 661186620 /nfs/dbraw/zinc/18/66/20/661186620.db2.gz FKHBXJQUAXGFMU-OAHLLOKOSA-N 0 0 318.804 3.013 20 10 DGCDRN Cc1noc(COC(=O)c2sccc2-n2c(C)ccc2C)n1 ZINC000052179811 655806942 /nfs/dbraw/zinc/80/69/42/655806942.db2.gz QVWOEUUVJAMPNY-UHFFFAOYSA-N 0 0 317.370 3.204 20 10 DGCDRN CCn1nccc1C=C1SC(Nc2cccc(C)c2)=NC1=O ZINC000178876924 655812853 /nfs/dbraw/zinc/81/28/53/655812853.db2.gz IBVBOKGNMDKEBU-UVTDQMKNSA-N 0 0 312.398 3.294 20 10 DGCDRN Cc1oc(C(C)(C)C)cc1C(=O)NCc1ccc(O)c(O)c1 ZINC000934945377 655814289 /nfs/dbraw/zinc/81/42/89/655814289.db2.gz ZVVDHOVTMHHFCC-UHFFFAOYSA-N 0 0 303.358 3.227 20 10 DGCDRN CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nccs2)c1C ZINC000052913867 655846767 /nfs/dbraw/zinc/84/67/67/655846767.db2.gz RJJWBOKEDJQSFI-UHFFFAOYSA-N 0 0 324.427 3.240 20 10 DGCDRN CCCCN(C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000065698325 655864078 /nfs/dbraw/zinc/86/40/78/655864078.db2.gz ZFLJHTFNNCFEOV-OAHLLOKOSA-N 0 0 319.449 3.026 20 10 DGCDRN C[C@H]1SCC[C@@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000309783729 655882822 /nfs/dbraw/zinc/88/28/22/655882822.db2.gz NNFCAUUVYBYZOY-KCJUWKMLSA-N 0 0 302.237 3.138 20 10 DGCDRN Cc1ncc(/C=C\C(=O)N2CCN(C)c3cc(F)ccc32)s1 ZINC000255632991 655883536 /nfs/dbraw/zinc/88/35/36/655883536.db2.gz FGOMRDNJLNLOKX-XQRVVYSFSA-N 0 0 317.389 3.087 20 10 DGCDRN O=C(/C=C\c1cncc(F)c1)N1CCCc2cc(F)ccc21 ZINC000255659495 655887063 /nfs/dbraw/zinc/88/70/63/655887063.db2.gz AWGJMUIYEXALAZ-UTCJRWHESA-N 0 0 300.308 3.352 20 10 DGCDRN CCC(CC)c1cc(CNC(=O)c2ccc(C)c(O)c2O)on1 ZINC000179518077 655907554 /nfs/dbraw/zinc/90/75/54/655907554.db2.gz XTDVPKXKGHUADH-UHFFFAOYSA-N 0 0 318.373 3.228 20 10 DGCDRN C[C@H]1CC[C@H](C)N1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000177262106 655918495 /nfs/dbraw/zinc/91/84/95/655918495.db2.gz QGQYUNBEZFKKMB-GJZGRUSLSA-N 0 0 301.434 3.369 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@H](C)CCC(C)(C)C)c1 ZINC000077600116 655936008 /nfs/dbraw/zinc/93/60/08/655936008.db2.gz ICJFFYQTDFXADO-GFCCVEGCSA-N 0 0 308.422 3.415 20 10 DGCDRN Cc1ccc(O)c(CNCc2ncc(Br)s2)c1 ZINC000714928331 661205018 /nfs/dbraw/zinc/20/50/18/661205018.db2.gz WQGDUMRPHIBZFM-UHFFFAOYSA-N 0 0 313.220 3.209 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)CCSC ZINC000077643818 655961860 /nfs/dbraw/zinc/96/18/60/655961860.db2.gz BYQPIDZJFNSAFY-ZDUSSCGKSA-N 0 0 310.463 3.455 20 10 DGCDRN Cc1ccc(NC(=O)NCc2ccc3c(c2)CCCN3C)cn1 ZINC000161932555 655964713 /nfs/dbraw/zinc/96/47/13/655964713.db2.gz MCXGNONUOWDLLF-UHFFFAOYSA-N 0 0 310.401 3.094 20 10 DGCDRN CCc1ccccc1C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000178274853 656019121 /nfs/dbraw/zinc/01/91/21/656019121.db2.gz GMNDUFNRSJVXEO-UHFFFAOYSA-N 0 0 324.424 3.220 20 10 DGCDRN COC[C@H]([NH2+]Cc1cc(Br)cc(F)c1[O-])C(C)C ZINC000715745217 661214294 /nfs/dbraw/zinc/21/42/94/661214294.db2.gz OZSTXWUOPYQCIY-LBPRGKRZSA-N 0 0 320.202 3.054 20 10 DGCDRN Oc1ccc(Cl)cc1CNc1ccc(-n2nccn2)cc1 ZINC000037128358 661217412 /nfs/dbraw/zinc/21/74/12/661217412.db2.gz DWKXANFAOOSAAU-UHFFFAOYSA-N 0 0 300.749 3.238 20 10 DGCDRN CN(CCOc1ccccc1Cl)C(=O)Cc1ccc(N)cc1 ZINC000314424548 656071790 /nfs/dbraw/zinc/07/17/90/656071790.db2.gz FYISPGRLKPQMGF-UHFFFAOYSA-N 0 0 318.804 3.002 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CCN1Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000716177300 661219893 /nfs/dbraw/zinc/21/98/93/661219893.db2.gz MYURXIFNKRWCPQ-WMLDXEAASA-N 0 0 314.404 3.456 20 10 DGCDRN Cc1ccc(C(=O)N(Cc2ccccc2)CC(F)F)c(O)c1O ZINC000179526400 656084645 /nfs/dbraw/zinc/08/46/45/656084645.db2.gz QYGMLVPFNVVEJI-UHFFFAOYSA-N 0 0 321.323 3.314 20 10 DGCDRN CC(C)C[C@@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181193269 656097798 /nfs/dbraw/zinc/09/77/98/656097798.db2.gz ZNJAPRMTMOGTQX-VFADXPBXSA-N 0 0 303.402 3.396 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(OCCF)c1 ZINC000181197253 656097961 /nfs/dbraw/zinc/09/79/61/656097961.db2.gz TVRAZEUUIGQCLW-FNORWQNLSA-N 0 0 317.316 3.098 20 10 DGCDRN COc1ccc(N(C)C[C@H](O)CCc2ccccc2)cc1F ZINC000182461746 656105767 /nfs/dbraw/zinc/10/57/67/656105767.db2.gz WHXNPLGOIUSUDM-MRXNPFEDSA-N 0 0 303.377 3.264 20 10 DGCDRN Cc1ccc(C(=O)Nc2cccc(-c3ncco3)c2)c(O)c1O ZINC000182901171 656109143 /nfs/dbraw/zinc/10/91/43/656109143.db2.gz XJKDWYFPNMOEKK-UHFFFAOYSA-N 0 0 310.309 3.314 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000124814036 656254724 /nfs/dbraw/zinc/25/47/24/656254724.db2.gz SNMAASXBAMZMRF-UHFFFAOYSA-N 0 0 322.368 3.242 20 10 DGCDRN Cc1ccc(C[NH2+]Cc2cccc(Br)c2[O-])nc1C ZINC000313842031 656319704 /nfs/dbraw/zinc/31/97/04/656319704.db2.gz QJUPCRAVPMINKO-UHFFFAOYSA-N 0 0 321.218 3.456 20 10 DGCDRN Cc1ccc(NC(=O)NCCCSc2nccs2)c(C)n1 ZINC000155571429 656567502 /nfs/dbraw/zinc/56/75/02/656567502.db2.gz YOQCDTRZBMATOK-UHFFFAOYSA-N 0 0 322.459 3.459 20 10 DGCDRN Cc1cc(C)[nH]c(=NNC(=S)Nc2cccc(C)c2C)n1 ZINC000006330796 656707362 /nfs/dbraw/zinc/70/73/62/656707362.db2.gz UGDUYCGQRWHZKM-UHFFFAOYSA-N 0 0 301.419 3.024 20 10 DGCDRN CC(=O)Nc1cccc(NC(=O)N(C)Cc2ccccc2O)c1 ZINC000047388886 657073376 /nfs/dbraw/zinc/07/33/76/657073376.db2.gz FNCBMXJACJVWGD-UHFFFAOYSA-N 0 0 313.357 3.015 20 10 DGCDRN CC(C)Oc1ccccc1[C@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000319558421 657081554 /nfs/dbraw/zinc/08/15/54/657081554.db2.gz FNNGZEIFNZJGQP-AWEZNQCLSA-N 0 0 312.413 3.476 20 10 DGCDRN CN(CC12CC3CC(CC(C3)C1)C2)C(=O)Cc1ccc(N)cc1 ZINC000237191326 657376468 /nfs/dbraw/zinc/37/64/68/657376468.db2.gz WQEUHPSQKMSEEG-UHFFFAOYSA-N 0 0 312.457 3.486 20 10 DGCDRN COCC(=O)Nc1ccc(N[C@@H](C)c2ccc(F)cc2O)cc1 ZINC000320779531 657842897 /nfs/dbraw/zinc/84/28/97/657842897.db2.gz VCTQKJCPVUZLTA-NSHDSACASA-N 0 0 318.348 3.289 20 10 DGCDRN CCNC(=O)c1ccc(NCc2ccc(N(C)C)cc2)c(C)c1 ZINC000320991619 658037819 /nfs/dbraw/zinc/03/78/19/658037819.db2.gz MOWYUWRKSVIHLT-UHFFFAOYSA-N 0 0 311.429 3.423 20 10 DGCDRN C[C@H](Nc1cccc(N2CCNC2=O)c1)c1cc(F)ccc1O ZINC000321873089 658360181 /nfs/dbraw/zinc/36/01/81/658360181.db2.gz OSSKALKSIJNVHT-NSHDSACASA-N 0 0 315.348 3.234 20 10 DGCDRN Cc1nc(CN2CCOc3cc(N(C)C)ccc32)sc1C ZINC000179271962 658393889 /nfs/dbraw/zinc/39/38/89/658393889.db2.gz LWPBKUZYONAITR-UHFFFAOYSA-N 0 0 303.431 3.225 20 10 DGCDRN CCOc1ccccc1NC[C@H](O)COCc1ccccc1F ZINC000322141277 658449190 /nfs/dbraw/zinc/44/91/90/658449190.db2.gz WOGCVPTZUQUBDV-HNNXBMFYSA-N 0 0 319.376 3.214 20 10 DGCDRN COc1ccc(N2CCN(C(=O)[C@H](C)C3CCCC3)CC2)cc1 ZINC000041334783 658711626 /nfs/dbraw/zinc/71/16/26/658711626.db2.gz AAYORXZPSLKSBI-OAHLLOKOSA-N 0 0 316.445 3.170 20 10 DGCDRN CC(=O)Nc1cc(NCc2ccc(N(C)C)cc2)ccc1F ZINC000119600726 658716000 /nfs/dbraw/zinc/71/60/00/658716000.db2.gz JAKITZVCSIONQA-UHFFFAOYSA-N 0 0 301.365 3.462 20 10 DGCDRN CCOc1ccccc1CNC(=O)N(C)Cc1ccccc1O ZINC000054604792 658734580 /nfs/dbraw/zinc/73/45/80/658734580.db2.gz SHWLTQQANGOSGA-UHFFFAOYSA-N 0 0 314.385 3.133 20 10 DGCDRN Cc1ccc(O)c(C[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000155986976 658869883 /nfs/dbraw/zinc/86/98/83/658869883.db2.gz AZNZXHCSPAZHHK-UHFFFAOYSA-N 0 0 300.377 3.162 20 10 DGCDRN COc1ccc([C@@H]2Nc3ccc(Cl)cc3C(=O)N2C)c(O)c1 ZINC000054683030 658880147 /nfs/dbraw/zinc/88/01/47/658880147.db2.gz RRSMONZHNLBBGF-OAHLLOKOSA-N 0 0 318.760 3.251 20 10 DGCDRN CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc(O)c(O)c1 ZINC000054701736 658887053 /nfs/dbraw/zinc/88/70/53/658887053.db2.gz GBLFUMPGIHSDEV-HNNXBMFYSA-N 0 0 318.760 3.338 20 10 DGCDRN COc1cc(C)c(S(=O)(=O)Nc2ccc(O)c(C)c2)cc1C ZINC000156505584 658925302 /nfs/dbraw/zinc/92/53/02/658925302.db2.gz WRIACFLGUTVOQB-UHFFFAOYSA-N 0 0 321.398 3.127 20 10 DGCDRN Cc1cccc(C)c1OCCNC(=O)CSc1nccs1 ZINC000055388727 658927865 /nfs/dbraw/zinc/92/78/65/658927865.db2.gz SRPLHZSZNUBYIV-UHFFFAOYSA-N 0 0 322.455 3.047 20 10 DGCDRN COc1cc(CN2CCO[C@H](C)[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000164515713 658936818 /nfs/dbraw/zinc/93/68/18/658936818.db2.gz GJXFCEFTUKWARW-CHWSQXEVSA-N 0 0 307.434 3.308 20 10 DGCDRN Cc1cc(CNC(=O)N(C)Cc2ccccc2O)ccc1F ZINC000045346079 658957369 /nfs/dbraw/zinc/95/73/69/658957369.db2.gz HPZLNRCWSUPFLJ-UHFFFAOYSA-N 0 0 302.349 3.181 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C(C)C)nc2)c1 ZINC000157605966 659071941 /nfs/dbraw/zinc/07/19/41/659071941.db2.gz AMTWRYXRMQJTMF-GFCCVEGCSA-N 0 0 314.385 3.410 20 10 DGCDRN CO[C@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2[O-])C1(C)C ZINC000227830040 659165419 /nfs/dbraw/zinc/16/54/19/659165419.db2.gz CDVGKJBIKDFXNC-NEPJUHHUSA-N 0 0 314.223 3.058 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)CCc2ccccc2F)cc1 ZINC000060678930 659193738 /nfs/dbraw/zinc/19/37/38/659193738.db2.gz DXHCVNBTIOOZPL-UHFFFAOYSA-N 0 0 314.404 3.483 20 10 DGCDRN C[C@H](Nc1ccc2c(c1)NC(=O)[C@H](C)O2)c1ccc(F)cc1O ZINC000170789144 659237265 /nfs/dbraw/zinc/23/72/65/659237265.db2.gz NIGUAWNZCTWVJJ-UWVGGRQHSA-N 0 0 316.332 3.424 20 10 DGCDRN O=C(/C=C/c1cncc(F)c1)N1CCc2ccc(Cl)cc21 ZINC000171479925 659282680 /nfs/dbraw/zinc/28/26/80/659282680.db2.gz QZSZSLBMSCPYDP-DAFODLJHSA-N 0 0 302.736 3.477 20 10 DGCDRN Cc1cccc(C(=O)NCc2ccccc2O)c1Br ZINC000229891712 659289076 /nfs/dbraw/zinc/28/90/76/659289076.db2.gz VJORVBSFFWCGOQ-UHFFFAOYSA-N 0 0 320.186 3.393 20 10 DGCDRN COc1ccc(N(CCn2cccn2)Cc2ccco2)cc1F ZINC000172653525 659348310 /nfs/dbraw/zinc/34/83/10/659348310.db2.gz FOVAPNWSAAIEBY-UHFFFAOYSA-N 0 0 315.348 3.331 20 10 DGCDRN C[C@H]1CC[C@H](CCC(=O)NCCCSc2nccs2)O1 ZINC000173561502 659393463 /nfs/dbraw/zinc/39/34/63/659393463.db2.gz JGCKMVVMSXJLHM-NWDGAFQWSA-N 0 0 314.476 3.089 20 10 DGCDRN CC(C)C[C@@H]1CC(=O)N(CN(C)Cc2ccc(N(C)C)cc2)C1 ZINC000174070314 659412310 /nfs/dbraw/zinc/41/23/10/659412310.db2.gz WXUUOLSNEWCWGX-QGZVFWFLSA-N 0 0 317.477 3.037 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@]23CCc2ccccc23)cc1 ZINC000175012787 659915154 /nfs/dbraw/zinc/91/51/54/659915154.db2.gz GMOQLPMIKZEAHY-PZJWPPBQSA-N 0 0 320.436 3.273 20 10 DGCDRN Cc1c2ccccc2[nH]c(=O)c1C(=O)N(C)Cc1ccccc1O ZINC000175239398 659917815 /nfs/dbraw/zinc/91/78/15/659917815.db2.gz HIMWDHCWJFEURD-UHFFFAOYSA-N 0 0 322.364 3.227 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000175507161 659922947 /nfs/dbraw/zinc/92/29/47/659922947.db2.gz WAMWPYAJUJXZTO-UKRRQHHQSA-N 0 0 317.335 3.433 20 10 DGCDRN CCS[C@H]1CC[C@H](N(C)C(=O)c2ccc(C)c(O)c2O)C1 ZINC000179526005 659932826 /nfs/dbraw/zinc/93/28/26/659932826.db2.gz XQVIIBDPAPVKJH-RYUDHWBXSA-N 0 0 309.431 3.152 20 10 DGCDRN Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(N)cc1 ZINC000237667433 659934604 /nfs/dbraw/zinc/93/46/04/659934604.db2.gz VJFSCYTZMJJPTE-UHFFFAOYSA-N 0 0 313.382 3.475 20 10 DGCDRN C[C@H]1CCc2sc(C(=O)NCCc3ccc(N)cc3)cc2C1 ZINC000237717523 659937924 /nfs/dbraw/zinc/93/79/24/659937924.db2.gz WUXYXFBNSJTGRW-LBPRGKRZSA-N 0 0 314.454 3.428 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2csnc2C)cc1F ZINC000179688606 659938364 /nfs/dbraw/zinc/93/83/64/659938364.db2.gz OHHSHWOBHVGWJT-UHFFFAOYSA-N 0 0 321.421 3.367 20 10 DGCDRN COc1ccccc1OCC[N@H+](C)Cc1cc(F)ccc1O ZINC000179941534 659946816 /nfs/dbraw/zinc/94/68/16/659946816.db2.gz RLVBTHZIQVLGKZ-UHFFFAOYSA-N 0 0 305.349 3.051 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](CC)CSC ZINC000179957754 659947629 /nfs/dbraw/zinc/94/76/29/659947629.db2.gz HQLMTRBUJFNWSE-CQSZACIVSA-N 0 0 310.463 3.455 20 10 DGCDRN Nc1ccc(CCNC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)cc1 ZINC000237942615 659949634 /nfs/dbraw/zinc/94/96/34/659949634.db2.gz PPIFSMMJTJJJRZ-GOEBONIOSA-N 0 0 316.351 3.009 20 10 DGCDRN COc1cccc(CNC(=O)CSc2ccc(C)cc2)c1O ZINC000068488817 659954350 /nfs/dbraw/zinc/95/43/50/659954350.db2.gz JNQFNWIXWHGPKS-UHFFFAOYSA-N 0 0 317.410 3.118 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1OC(F)F ZINC000180618550 659966263 /nfs/dbraw/zinc/96/62/63/659966263.db2.gz PKCYOCYWQOXJLO-SOFGYWHQSA-N 0 0 321.279 3.351 20 10 DGCDRN CCCn1cc(C(=O)NCc2ccc(N(CC)CC)cc2)cn1 ZINC000180732899 659969049 /nfs/dbraw/zinc/96/90/49/659969049.db2.gz IIJZFOJPIUZDAY-UHFFFAOYSA-N 0 0 314.433 3.069 20 10 DGCDRN CCOc1ccc(O)c(CN(C)c2ccc3c(c2)OCO3)c1 ZINC000180760949 659969825 /nfs/dbraw/zinc/96/98/25/659969825.db2.gz ZYUTYOHHNIMLCD-UHFFFAOYSA-N 0 0 301.342 3.156 20 10 DGCDRN Cc1ccc(C(=O)NCCCSc2nccs2)cc1O ZINC000180776133 659970464 /nfs/dbraw/zinc/97/04/64/659970464.db2.gz KPHAROUKTYOGMG-UHFFFAOYSA-N 0 0 308.428 3.069 20 10 DGCDRN CC(C)(CNC(=O)/C=C/c1ccc(O)c(O)c1)C1CCCC1 ZINC000181255724 659989651 /nfs/dbraw/zinc/98/96/51/659989651.db2.gz ABNFBOGEILVOAF-CSKARUKUSA-N 0 0 303.402 3.444 20 10 DGCDRN Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)c(O)c1O ZINC000182251651 660039822 /nfs/dbraw/zinc/03/98/22/660039822.db2.gz AJSQTVJAHVRJQE-UHFFFAOYSA-N 0 0 324.380 3.329 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1cc2cc(F)ccc2s1 ZINC000182537028 660061843 /nfs/dbraw/zinc/06/18/43/660061843.db2.gz GKQLRFNTPDWCIW-UHFFFAOYSA-N 0 0 317.341 3.382 20 10 DGCDRN Cc1cc(NC(=O)N(C)Cc2ccccc2O)ccc1[N+](=O)[O-] ZINC000182763597 660077463 /nfs/dbraw/zinc/07/74/63/660077463.db2.gz XLPQLCLIGJLGPG-UHFFFAOYSA-N 0 0 315.329 3.273 20 10 DGCDRN Cc1ccc(C(=O)Nc2cnccc2OC(C)(C)C)c(O)c1O ZINC000182893252 660087313 /nfs/dbraw/zinc/08/73/13/660087313.db2.gz TVHJFESDIAXQLR-UHFFFAOYSA-N 0 0 316.357 3.231 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2ccccc2n1 ZINC000183425940 660110516 /nfs/dbraw/zinc/11/05/16/660110516.db2.gz VBJNPNIVQULCCH-GFCCVEGCSA-N 0 0 322.364 3.007 20 10 DGCDRN CN1CCCc2cc(CNC(=O)/C=C/c3ccc(O)cc3)ccc21 ZINC000183511561 660121156 /nfs/dbraw/zinc/12/11/56/660121156.db2.gz JMZLLXMCUNYAFN-YRNVUSSQSA-N 0 0 322.408 3.104 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000183599326 660125227 /nfs/dbraw/zinc/12/52/27/660125227.db2.gz FBWABWFXQYTPHX-SECBINFHSA-N 0 0 306.293 3.188 20 10 DGCDRN Cc1ccc(NC(=O)NCCCSc2nccs2)nc1 ZINC000184223303 660159328 /nfs/dbraw/zinc/15/93/28/660159328.db2.gz BLYNWXQGYBXINJ-UHFFFAOYSA-N 0 0 308.432 3.150 20 10 DGCDRN COc1ccc(N2CCN(C(=O)C[C@@H]3CCC[C@@H]3C)CC2)cc1 ZINC000184605880 660176033 /nfs/dbraw/zinc/17/60/33/660176033.db2.gz QUHPGFFGGXOAPN-HOTGVXAUSA-N 0 0 316.445 3.170 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2cc(Cl)ncc2F)cc1 ZINC000929530946 661315448 /nfs/dbraw/zinc/31/54/48/661315448.db2.gz FPWQQFFKBSNGMN-UHFFFAOYSA-N 0 0 321.783 3.212 20 10 DGCDRN CC(C)[C@@H]1C[C@@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000929531661 661315526 /nfs/dbraw/zinc/31/55/26/661315526.db2.gz HTDWHYWEGMFINF-WMZOPIPTSA-N 0 0 318.461 3.162 20 10 DGCDRN CC1=C(C(=O)N(C)Cc2ccc(N(C)C)cc2)CCN1C(C)C ZINC000929530421 661315574 /nfs/dbraw/zinc/31/55/74/661315574.db2.gz BXWVJFSPGCFHJI-UHFFFAOYSA-N 0 0 315.461 3.099 20 10 DGCDRN COC(=O)c1cncc(CN(C)c2ccc(OC)c(Cl)c2)c1 ZINC000929824877 661341840 /nfs/dbraw/zinc/34/18/40/661341840.db2.gz HPFIDZYQHKRXFP-UHFFFAOYSA-N 0 0 320.776 3.167 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cccc2c1OCC2 ZINC000930204539 661377360 /nfs/dbraw/zinc/37/73/60/661377360.db2.gz AEILQUMAYQYDOW-UHFFFAOYSA-N 0 0 322.408 3.152 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)c1cccc(C)c1 ZINC000930905745 661438328 /nfs/dbraw/zinc/43/83/28/661438328.db2.gz OIBOXQFSHYKEQX-UHFFFAOYSA-N 0 0 324.424 3.292 20 10 DGCDRN O=C(NCc1c(O)cccc1F)Nc1cc(C2CC2)ccn1 ZINC000931496376 661482444 /nfs/dbraw/zinc/48/24/44/661482444.db2.gz DFSLTGWCYWKEPW-UHFFFAOYSA-N 0 0 301.321 3.125 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)[C@@]3(C)C=CCC3)CC2)cc1 ZINC000931578377 661490289 /nfs/dbraw/zinc/49/02/89/661490289.db2.gz SBQDNMRXADJZIG-IBGZPJMESA-N 0 0 314.429 3.137 20 10 DGCDRN C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)NCCCSc1nccs1 ZINC000932682345 661590446 /nfs/dbraw/zinc/59/04/46/661590446.db2.gz DBXDZYFPDNKLLI-FDYHWXHSSA-N 0 0 310.488 3.424 20 10 DGCDRN CC[C@H]1CCC[C@@H](NC(=O)NCc2cccc(OC)c2O)C1 ZINC000074416094 661590586 /nfs/dbraw/zinc/59/05/86/661590586.db2.gz BDSHPYJJQOLSOS-GXTWGEPZSA-N 0 0 306.406 3.169 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CC[C@H](O)c3ccccc32)c1O ZINC000934080271 661677167 /nfs/dbraw/zinc/67/71/67/661677167.db2.gz ZIFZLKFDKSAEMS-KRWDZBQOSA-N 0 0 315.344 3.178 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)Nc1cnn(C2CCC2)c1 ZINC000934298256 661694672 /nfs/dbraw/zinc/69/46/72/661694672.db2.gz YSCRGLMCPXIJFN-UHFFFAOYSA-N 0 0 320.780 3.289 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)c2cccc(O)c2)c1 ZINC000934941019 661750433 /nfs/dbraw/zinc/75/04/33/661750433.db2.gz VDGQBASLCOBBCW-RYUDHWBXSA-N 0 0 315.369 3.087 20 10 DGCDRN Cc1cc2ccccc2n1CC(=O)N(C)Cc1ccccc1O ZINC000042117645 661838329 /nfs/dbraw/zinc/83/83/29/661838329.db2.gz VMMOTXYOEQZPLR-UHFFFAOYSA-N 0 0 308.381 3.314 20 10 DGCDRN COC(=O)Cc1ccccc1CN(C)c1ccc(OC)c(F)c1 ZINC000155510370 661848123 /nfs/dbraw/zinc/84/81/23/661848123.db2.gz XAHIXBPWHJIIFH-UHFFFAOYSA-N 0 0 317.360 3.186 20 10 DGCDRN CC[C@@H](CCO)NC(=O)c1sccc1-n1c(C)ccc1C ZINC000159066733 661882227 /nfs/dbraw/zinc/88/22/27/661882227.db2.gz FPVBVSDEWGQGRP-ZDUSSCGKSA-N 0 0 306.431 3.046 20 10 DGCDRN Cc1ccc(C)c(SCC(=O)NCc2ccc(O)c(O)c2)c1 ZINC000159108626 661882472 /nfs/dbraw/zinc/88/24/72/661882472.db2.gz JTSKLNIJQOYKMC-UHFFFAOYSA-N 0 0 317.410 3.123 20 10 DGCDRN Cc1[nH]c2ccc(C(=O)NCc3ccc(O)c(O)c3)cc2c1C ZINC000159127479 661883134 /nfs/dbraw/zinc/88/31/34/661883134.db2.gz DZGIPBPZJGHXQH-UHFFFAOYSA-N 0 0 310.353 3.126 20 10 DGCDRN O=C1N[C@H](c2cccc(Br)c2O)Nc2ccccc21 ZINC000048622093 661893453 /nfs/dbraw/zinc/89/34/53/661893453.db2.gz RKNNWEQEMYSHGH-CYBMUJFWSA-N 0 0 319.158 3.009 20 10 DGCDRN O=C(c1cccc(O)c1O)N(Cc1ccc(F)cc1F)C1CC1 ZINC000188150146 661918279 /nfs/dbraw/zinc/91/82/79/661918279.db2.gz MKHHEEBAGWKOQJ-UHFFFAOYSA-N 0 0 319.307 3.181 20 10 DGCDRN COC(=O)c1ccc(NCc2ccc(N(C)C)cc2)c(OC)c1 ZINC000188709184 661940899 /nfs/dbraw/zinc/94/08/99/661940899.db2.gz KXLCEVSUAQYNLE-UHFFFAOYSA-N 0 0 314.385 3.160 20 10 DGCDRN CCc1cc(O)ccc1NS(=O)(=O)c1ccc(F)c(C)c1 ZINC000189424620 661977920 /nfs/dbraw/zinc/97/79/20/661977920.db2.gz QBYBAHLJYVCKLW-UHFFFAOYSA-N 0 0 309.362 3.203 20 10 DGCDRN CSCC[C@@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000077802819 662041145 /nfs/dbraw/zinc/04/11/45/662041145.db2.gz AEWZFKYJPAJPPL-CYBMUJFWSA-N 0 0 309.479 3.036 20 10 DGCDRN CC(C)=CCNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000191151343 662055281 /nfs/dbraw/zinc/05/52/81/662055281.db2.gz UQSXJKKEXIKTIZ-UHFFFAOYSA-N 0 0 319.474 3.005 20 10 DGCDRN CC(C)Oc1ccc([C@@H](C)NC(=O)c2cccc(O)c2O)cc1 ZINC000192975735 662118763 /nfs/dbraw/zinc/11/87/63/662118763.db2.gz AVPOMQKEUWYTOD-GFCCVEGCSA-N 0 0 315.369 3.376 20 10 DGCDRN Cc1ccc(NC2=NC(=O)C(=Cc3ccnn3C)S2)c(C)c1 ZINC000192981077 662119207 /nfs/dbraw/zinc/11/92/07/662119207.db2.gz VXNACDSSVJJHGB-ZROIWOOFSA-N 0 0 312.398 3.119 20 10 DGCDRN Cc1cc(C(=O)NCCCCCO)c(C)n1-c1cccc(C)c1 ZINC000193263781 662128509 /nfs/dbraw/zinc/12/85/09/662128509.db2.gz FWQAYMROMGNKPC-UHFFFAOYSA-N 0 0 314.429 3.295 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Cc2ccc(C)nc2)cc1 ZINC000080359934 662138051 /nfs/dbraw/zinc/13/80/51/662138051.db2.gz WWBCNIAZPSGLAB-UHFFFAOYSA-N 0 0 311.429 3.095 20 10 DGCDRN O=S(=O)(Nc1ccc(O)cc1)C1=Cc2ccccc2CC1 ZINC000193982324 662153876 /nfs/dbraw/zinc/15/38/76/662153876.db2.gz FHNFEYXMHZHVLL-UHFFFAOYSA-N 0 0 301.367 3.121 20 10 DGCDRN COc1ccc(O)c(CNC(=O)C2(c3ccccc3)CCC2)c1 ZINC000081959490 662175140 /nfs/dbraw/zinc/17/51/40/662175140.db2.gz HKJPWWSCOVYKHX-UHFFFAOYSA-N 0 0 311.381 3.139 20 10 DGCDRN O=[N+]([O-])c1cnc(Sc2n[nH]c(-c3ccccc3F)n2)s1 ZINC000195507571 662190914 /nfs/dbraw/zinc/19/09/14/662190914.db2.gz RZRPLOXGONWDHJ-UHFFFAOYSA-N 0 0 323.334 3.127 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C[C@H]2CCCCO2)cc1 ZINC000087140245 662223501 /nfs/dbraw/zinc/22/35/01/662223501.db2.gz YKFLOCHHMBXFDX-QGZVFWFLSA-N 0 0 304.434 3.108 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCO[C@@H](C)CC(C)C)c1 ZINC000088360180 662230838 /nfs/dbraw/zinc/23/08/38/662230838.db2.gz UYVXUOOKDSSIOQ-UONOGXRCSA-N 0 0 323.433 3.419 20 10 DGCDRN COc1ccc(N2CCN(Cc3ccsc3)CC2)cc1F ZINC000091923693 662324696 /nfs/dbraw/zinc/32/46/96/662324696.db2.gz MMFCVPCBBVOSGZ-UHFFFAOYSA-N 0 0 306.406 3.218 20 10 DGCDRN CCCN(Cc1ccc(N2CCOCC2)c(F)c1)CC(F)F ZINC000092737491 662335196 /nfs/dbraw/zinc/33/51/96/662335196.db2.gz UDZUMSOISSCHKA-UHFFFAOYSA-N 0 0 316.367 3.139 20 10 DGCDRN Nc1c(Cl)cc(C(=O)NCc2ccccc2O)cc1Cl ZINC000161403704 685100795 /nfs/dbraw/zinc/10/07/95/685100795.db2.gz XTXSANDCWQIQAE-UHFFFAOYSA-N 0 0 311.168 3.211 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[N@@H+](C)CCCOC(C)C)c1[O-] ZINC000394865245 685224195 /nfs/dbraw/zinc/22/41/95/685224195.db2.gz UFWRASQXPJJZPC-UHFFFAOYSA-N 0 0 313.825 3.495 20 10 DGCDRN C[N@H+](Cc1ccc(O)cc1)Cc1ccc(Br)cc1O ZINC001659704417 1196407283 /nfs/dbraw/zinc/40/72/83/1196407283.db2.gz YTWYYJWTXIQUKU-UHFFFAOYSA-N 0 0 322.202 3.492 20 10 DGCDRN CN(C(=O)c1cc(-c2cnn(C)c2)ccc1F)c1ccc(N)cc1 ZINC001578387567 1191941267 /nfs/dbraw/zinc/94/12/67/1191941267.db2.gz OHYYTRLANZQJQO-UHFFFAOYSA-N 0 0 324.359 3.085 20 10 DGCDRN Cc1ccc(Br)nc1C(=O)N(C)c1ccc(N)cc1 ZINC001579658207 1191984624 /nfs/dbraw/zinc/98/46/24/1191984624.db2.gz IZRUTTHJSQYJAJ-UHFFFAOYSA-N 0 0 320.190 3.011 20 10 DGCDRN Cc1nc(CNCc2ccc(N)cc2)sc1Br ZINC001579858598 1191996746 /nfs/dbraw/zinc/99/67/46/1191996746.db2.gz HLNCUFCHDVKQCM-UHFFFAOYSA-N 0 0 312.236 3.086 20 10 DGCDRN Fc1ccc(-c2nn[nH]n2)c(Sc2ncc(Cl)s2)c1 ZINC001581853198 1192079081 /nfs/dbraw/zinc/07/90/81/1192079081.db2.gz GRGOHIPTHBYZPU-UHFFFAOYSA-N 0 0 313.770 3.267 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)C2=CC[C@H](C)CC2)cc1 ZINC001583621283 1192153802 /nfs/dbraw/zinc/15/38/02/1192153802.db2.gz FLUGVSNFNVESLW-HNNXBMFYSA-N 0 0 316.445 3.336 20 10 DGCDRN CC(C)CN(Cc1ccccc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001583717722 1192157542 /nfs/dbraw/zinc/15/75/42/1192157542.db2.gz NORFNFLAPAFHAQ-UHFFFAOYSA-N 0 0 313.397 3.325 20 10 DGCDRN Cc1ccc2n[nH]cc2c1C(=O)NCc1cc(Cl)ccc1O ZINC001583821053 1192161820 /nfs/dbraw/zinc/16/18/20/1192161820.db2.gz SJLZIEVTJSBZMQ-UHFFFAOYSA-N 0 0 315.760 3.160 20 10 DGCDRN O=C(/C=C/c1ccc(Cl)nc1)NCc1cc(Cl)ccc1O ZINC001583820771 1192162118 /nfs/dbraw/zinc/16/21/18/1192162118.db2.gz LHPGMFNAGPTGNN-QHHAFSJGSA-N 0 0 323.179 3.424 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2ccc(O)cc2Cl)cc1 ZINC001584335906 1192190305 /nfs/dbraw/zinc/19/03/05/1192190305.db2.gz FQXJYKXHWWHVRG-UHFFFAOYSA-N 0 0 318.720 3.460 20 10 DGCDRN COc1ccc2c(c1)c1c(n2CC(=O)NC2CCC2)CCCC1 ZINC001584439886 1192197993 /nfs/dbraw/zinc/19/79/93/1192197993.db2.gz MRDZKIDPNBPQPD-UHFFFAOYSA-N 0 0 312.413 3.197 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CCc2c[nH]c3ccccc23)c1 ZINC001584983950 1192234510 /nfs/dbraw/zinc/23/45/10/1192234510.db2.gz WEVXDFJSRVWASK-UHFFFAOYSA-N 0 0 308.381 3.431 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1onc2ccccc21 ZINC001585786564 1192282013 /nfs/dbraw/zinc/28/20/13/1192282013.db2.gz FIJXTLINMYDFPD-UHFFFAOYSA-N 0 0 309.369 3.132 20 10 DGCDRN COCCC1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCC1 ZINC001620832766 1192322703 /nfs/dbraw/zinc/32/27/03/1192322703.db2.gz RPMJBBKIDGTOCO-UHFFFAOYSA-N 0 0 301.789 3.481 20 10 DGCDRN C[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccccc1O ZINC001587447294 1192400692 /nfs/dbraw/zinc/40/06/92/1192400692.db2.gz OGLIGBLIZPQZOV-NSHDSACASA-N 0 0 305.761 3.302 20 10 DGCDRN CC1(C)C(NC(=O)c2cc3cc(O)c(O)cc3s2)C1(C)C ZINC001587699189 1192412841 /nfs/dbraw/zinc/41/28/41/1192412841.db2.gz UOWQQVWOYLCJTH-UHFFFAOYSA-N 0 0 305.399 3.477 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCOC2(C)C)cc1 ZINC001587725267 1192414584 /nfs/dbraw/zinc/41/45/84/1192414584.db2.gz WGICWVKJCDUZKV-QGZVFWFLSA-N 0 0 312.413 3.391 20 10 DGCDRN Cc1ccc([C@@H](NC(=O)Cc2ccc(O)c(O)c2)C2CC2)cc1 ZINC001587809634 1192419426 /nfs/dbraw/zinc/41/94/26/1192419426.db2.gz JBPAACHYDYIPIY-LJQANCHMSA-N 0 0 311.381 3.216 20 10 DGCDRN Cc1cc(CNC(=O)c2ccncn2)c(C)n1-c1cccc(C)c1 ZINC001587881022 1192423538 /nfs/dbraw/zinc/42/35/38/1192423538.db2.gz QFEAFGHXWOOEDW-UHFFFAOYSA-N 0 0 320.396 3.123 20 10 DGCDRN COc1ccc2[nH]c(C(=O)N3Cc4cccc(O)c4C3)cc2c1 ZINC001587929332 1192425492 /nfs/dbraw/zinc/42/54/92/1192425492.db2.gz XRKLETPHFLGRTH-UHFFFAOYSA-N 0 0 308.337 3.038 20 10 DGCDRN COCCOc1cccc(CNc2ccc3c(c2)ncn3C)c1 ZINC001620840857 1192440889 /nfs/dbraw/zinc/44/08/89/1192440889.db2.gz ZJOCZQIAVINEIJ-UHFFFAOYSA-N 0 0 311.385 3.211 20 10 DGCDRN C[S@](=O)Cc1cccc(NCc2cc(F)cc(F)c2O)c1 ZINC001620852514 1192455981 /nfs/dbraw/zinc/45/59/81/1192455981.db2.gz WYBHSLWDEWKZHU-NRFANRHFSA-N 0 0 311.353 3.161 20 10 DGCDRN COc1ccncc1NCc1c(O)cccc1Br ZINC001620869849 1192502577 /nfs/dbraw/zinc/50/25/77/1192502577.db2.gz ZNSWDQCGWLEICC-UHFFFAOYSA-N 0 0 309.163 3.170 20 10 DGCDRN CC[C@H](Sc1ccccc1)C(=O)NCc1cccc(O)c1O ZINC001593739487 1192640226 /nfs/dbraw/zinc/64/02/26/1192640226.db2.gz ODMIKWUYSHXWKA-HNNXBMFYSA-N 0 0 317.410 3.285 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3ccn(C)c3c2)c1 ZINC001595806242 1192671323 /nfs/dbraw/zinc/67/13/23/1192671323.db2.gz DPDWJQRQBJXQCY-GFCCVEGCSA-N 0 0 324.380 3.384 20 10 DGCDRN Cc1cc(OCC(=O)NCc2c(O)cccc2F)ccc1Cl ZINC001596912213 1192710128 /nfs/dbraw/zinc/71/01/28/1192710128.db2.gz MYBOKRSMRNYOGS-UHFFFAOYSA-N 0 0 323.751 3.188 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cc2ccncc2s1 ZINC001596912276 1192710336 /nfs/dbraw/zinc/71/03/36/1192710336.db2.gz NNUAUNABRLBYKU-UHFFFAOYSA-N 0 0 302.330 3.071 20 10 DGCDRN Cc1ccc2cccc(C(=O)NCc3c(O)cccc3F)c2n1 ZINC001596912625 1192710402 /nfs/dbraw/zinc/71/04/02/1192710402.db2.gz PXVQAEPQPLNLHD-UHFFFAOYSA-N 0 0 310.328 3.318 20 10 DGCDRN O=C(CCc1cnc2ccccc2c1)NCc1c(O)cccc1F ZINC001596913424 1192711318 /nfs/dbraw/zinc/71/13/18/1192711318.db2.gz XYIQLMPRBLKOHJ-UHFFFAOYSA-N 0 0 324.355 3.329 20 10 DGCDRN C[C@H](NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1O ZINC001670406518 1176129988 /nfs/dbraw/zinc/12/99/88/1176129988.db2.gz SRUUGYCMRYMVJL-VIFPVBQESA-N 0 0 319.292 3.322 20 10 DGCDRN C[C@H](CC(=O)NCc1c(O)cccc1O)c1ccccc1F ZINC001597574867 1192738620 /nfs/dbraw/zinc/73/86/20/1192738620.db2.gz UUJFECZLTFCEFU-LLVKDONJSA-N 0 0 303.333 3.047 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1cscc1C(F)(F)F ZINC001597580158 1192738795 /nfs/dbraw/zinc/73/87/95/1192738795.db2.gz YKBIYUUOHNIUDL-UHFFFAOYSA-N 0 0 317.288 3.108 20 10 DGCDRN O=C(NCc1c(O)cccc1O)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC001597574510 1192739081 /nfs/dbraw/zinc/73/90/81/1192739081.db2.gz OEHLKPHDBRVHTR-MGPQQGTHSA-N 0 0 303.402 3.321 20 10 DGCDRN C[C@@H]1C[C@H]1n1c(CC2CC2)nnc1N(C)Cc1ccccc1O ZINC001708002015 1176502288 /nfs/dbraw/zinc/50/22/88/1176502288.db2.gz ORWHUJXTKXXKFK-IUODEOHRSA-N 0 0 312.417 3.154 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)[C@H](O)C1CCCCC1 ZINC001597742184 1192745299 /nfs/dbraw/zinc/74/52/99/1192745299.db2.gz HUZAFKTVDYTCII-GOSISDBHSA-N 0 0 313.397 3.103 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[NH2+]Cc1cc(C(=O)[O-])cs1 ZINC001600236078 1192817193 /nfs/dbraw/zinc/81/71/93/1192817193.db2.gz KAJGYRDNUSOCSR-UHFFFAOYSA-N 0 0 304.415 3.111 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccsc1C(=O)[O-] ZINC001600236022 1192816428 /nfs/dbraw/zinc/81/64/28/1192816428.db2.gz FZRWIJMHIDCSNK-UHFFFAOYSA-N 0 0 304.415 3.111 20 10 DGCDRN O=C(C=Cc1ccc(O)c(O)c1)Nc1cccc2c(=O)[nH]ccc12 ZINC001179687753 1177804698 /nfs/dbraw/zinc/80/46/98/1177804698.db2.gz XGTOAICMYLAOOD-FNORWQNLSA-N 0 0 322.320 3.004 20 10 DGCDRN O=C(C=Cc1ccc(O)c(O)c1)Nc1ccccc1-c1cc[nH]n1 ZINC001179687711 1177804869 /nfs/dbraw/zinc/80/48/69/1177804869.db2.gz UUIPPZYUBTVMCM-SOFGYWHQSA-N 0 0 321.336 3.140 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cncc2[nH]ccc21 ZINC001157051296 1178040751 /nfs/dbraw/zinc/04/07/51/1178040751.db2.gz QKFYNUOWGKJTOC-UHFFFAOYSA-N 0 0 317.348 3.352 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCC[C@@H]1CCCC1(F)F ZINC001331088764 1178132643 /nfs/dbraw/zinc/13/26/43/1178132643.db2.gz AODLHXZAYKZREU-RNZFLTOJSA-N 0 0 312.312 3.480 20 10 DGCDRN CN(Cc1ccccc1O)c1cc(Cl)nc([C@H]2CCCO2)n1 ZINC001331145066 1178142996 /nfs/dbraw/zinc/14/29/96/1178142996.db2.gz JKLAJICRSNYMBD-CYBMUJFWSA-N 0 0 319.792 3.324 20 10 DGCDRN Cc1cc(C)c(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)[nH]1 ZINC001331381086 1178199982 /nfs/dbraw/zinc/19/99/82/1178199982.db2.gz OUIFKCRKGOKFHU-OAHLLOKOSA-N 0 0 313.445 3.367 20 10 DGCDRN CC(C)c1nnc([C@@H](C)NCc2cc(F)c(N(C)C)cc2F)[nH]1 ZINC001331504697 1178228691 /nfs/dbraw/zinc/22/86/91/1178228691.db2.gz QJGFRKLSISHZEO-SNVBAGLBSA-N 0 0 323.391 3.123 20 10 DGCDRN Cc1c(C(=O)NCc2cc(C)ccc2O)cnn1C1CCCC1 ZINC001331693726 1178271094 /nfs/dbraw/zinc/27/10/94/1178271094.db2.gz BHBFGRZCTUZHDQ-UHFFFAOYSA-N 0 0 313.401 3.251 20 10 DGCDRN COC(=O)[C@@](C)(NCc1ccc(OC)c(C)c1)c1ccccc1 ZINC001331743163 1178277267 /nfs/dbraw/zinc/27/72/67/1178277267.db2.gz KPVCCORIZOBSOJ-IBGZPJMESA-N 0 0 313.397 3.182 20 10 DGCDRN C[C@H](NC(=O)CCc1ccc2c(c1)CCO2)c1ccccc1O ZINC001332486993 1178456341 /nfs/dbraw/zinc/45/63/41/1178456341.db2.gz FCAMBVYQNMZXAC-ZDUSSCGKSA-N 0 0 311.381 3.137 20 10 DGCDRN CCO[C@H]1C[C@@H](NC(=O)N[C@@H](C)c2ccccc2O)C12CCC2 ZINC001332707448 1178477498 /nfs/dbraw/zinc/47/74/98/1178477498.db2.gz ARIMIEZGUOLXTC-MAZHCROVSA-N 0 0 318.417 3.100 20 10 DGCDRN CCO[C@@H]1C[C@H](NC(=O)N[C@@H](C)c2ccccc2O)C12CCC2 ZINC001332707452 1178477616 /nfs/dbraw/zinc/47/76/16/1178477616.db2.gz ARIMIEZGUOLXTC-VBNZEHGJSA-N 0 0 318.417 3.100 20 10 DGCDRN Cc1csc([C@H](C)[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)n1 ZINC001600654040 1192888625 /nfs/dbraw/zinc/88/86/25/1192888625.db2.gz DAGFMZSXJYAIJA-UWVGGRQHSA-N 0 0 306.387 3.267 20 10 DGCDRN C[C@@H](OC1CCCCC1)C(=O)NCc1cccc(Cl)c1O ZINC001333625851 1178641160 /nfs/dbraw/zinc/64/11/60/1178641160.db2.gz OHAUDKVKUNXJLE-LLVKDONJSA-N 0 0 311.809 3.400 20 10 DGCDRN Cc1cc(CNC(=O)COC(F)F)c(C)n1-c1cccc(C)c1 ZINC001335347299 1178899063 /nfs/dbraw/zinc/89/90/63/1178899063.db2.gz NIIBXSVNDUEXPE-UHFFFAOYSA-N 0 0 322.355 3.258 20 10 DGCDRN Cc1cccnc1[C@H](NC(=O)NCc1ccc(N)cc1)C(C)C ZINC001335502005 1178922900 /nfs/dbraw/zinc/92/29/00/1178922900.db2.gz XATAXOPNIRXMBR-MRXNPFEDSA-N 0 0 312.417 3.169 20 10 DGCDRN CC[C@@H](CCc1ccccc1)NC(=O)NCc1ccc(N)cc1 ZINC001335588253 1178933733 /nfs/dbraw/zinc/93/37/33/1178933733.db2.gz GJZMESFNKBWRHL-SFHVURJKSA-N 0 0 311.429 3.479 20 10 DGCDRN Nc1ccc(CNC(=O)N(CCc2ccccc2)C2CC2)cc1 ZINC001335724111 1178946099 /nfs/dbraw/zinc/94/60/99/1178946099.db2.gz GUNMWYMYXZTAGH-UHFFFAOYSA-N 0 0 309.413 3.186 20 10 DGCDRN Nc1ccc(CC[NH2+][C@@H]2CCC[C@H](CCCC(=O)[O-])C2)cc1 ZINC001601216366 1192922347 /nfs/dbraw/zinc/92/23/47/1192922347.db2.gz YEYJHNMHWNHNDR-NVXWUHKLSA-N 0 0 304.434 3.215 20 10 DGCDRN Cc1ccc(/C=C/C(=O)N(C)c2cccc3c2CCCN3)cn1 ZINC001335942333 1178973771 /nfs/dbraw/zinc/97/37/71/1178973771.db2.gz YPUKEWRMDKIKQX-ZHACJKMWSA-N 0 0 307.397 3.424 20 10 DGCDRN CC(C)(CNC(=O)NCc1ccc(N)cc1)c1cccc(F)c1 ZINC001336031963 1178983888 /nfs/dbraw/zinc/98/38/88/1178983888.db2.gz BWOOGOHFMGHSGZ-UHFFFAOYSA-N 0 0 315.392 3.185 20 10 DGCDRN C[C@H](Nc1ccc(CCC(N)=O)cc1)c1ccc(N(C)C)cc1 ZINC001341874246 1179074214 /nfs/dbraw/zinc/07/42/14/1179074214.db2.gz CRHAKASPWCQSAY-AWEZNQCLSA-N 0 0 311.429 3.344 20 10 DGCDRN Cc1cc(C(=O)NCc2ccc(N)cc2)c2c(n1)onc2C(C)C ZINC001342698640 1179176027 /nfs/dbraw/zinc/17/60/27/1179176027.db2.gz GYBVCQPTNPIEQL-UHFFFAOYSA-N 0 0 324.384 3.167 20 10 DGCDRN Cc1cccnc1[C@@H](C)NC(=O)NCc1cc(Cl)ccc1O ZINC001342961756 1179217210 /nfs/dbraw/zinc/21/72/10/1179217210.db2.gz XQNAPQJIBUWMGK-LLVKDONJSA-N 0 0 319.792 3.309 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC001344042597 1179369058 /nfs/dbraw/zinc/36/90/58/1179369058.db2.gz KNPWBVWEZGKUKA-UHFFFAOYSA-N 0 0 318.676 3.037 20 10 DGCDRN Cc1ccc(C2=CCN(C(=O)Cc3ccc(N)cc3)CC2)cc1 ZINC001346003561 1179637664 /nfs/dbraw/zinc/63/76/64/1179637664.db2.gz VFUZPBQMAGLRHM-UHFFFAOYSA-N 0 0 306.409 3.436 20 10 DGCDRN Nc1ccc(CNC(=O)NCc2cc3c(s2)CCCC3)cc1 ZINC001346204644 1179668898 /nfs/dbraw/zinc/66/88/98/1179668898.db2.gz UOYIQFSAEULJDR-UHFFFAOYSA-N 0 0 315.442 3.209 20 10 DGCDRN C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)NCc1ccc(N)cc1 ZINC001346738263 1179741102 /nfs/dbraw/zinc/74/11/02/1179741102.db2.gz FSZDHQRVCSNAEQ-KSSFIOAISA-N 0 0 309.413 3.356 20 10 DGCDRN C[C@@H](CCc1ccc(F)cc1)C(=O)NCc1cccc(O)c1O ZINC001347235350 1179786120 /nfs/dbraw/zinc/78/61/20/1179786120.db2.gz UXWCYABYTLHRPX-LBPRGKRZSA-N 0 0 317.360 3.122 20 10 DGCDRN CC(C)COc1ccccc1C(=O)NCc1cccc(O)c1O ZINC001350299938 1180048450 /nfs/dbraw/zinc/04/84/50/1180048450.db2.gz LKKGGDVITJTUMW-UHFFFAOYSA-N 0 0 315.369 3.063 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2cccc3c2COCC3)cc1 ZINC001350533885 1180082731 /nfs/dbraw/zinc/08/27/31/1180082731.db2.gz BBGPMRLZBZKROY-UHFFFAOYSA-N 0 0 324.424 3.098 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cccc3ccncc32)cc1 ZINC001350776619 1180121084 /nfs/dbraw/zinc/12/10/84/1180121084.db2.gz LKYABDBTCPHZGU-UHFFFAOYSA-N 0 0 305.381 3.231 20 10 DGCDRN CC(F)(F)C1(C(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC001350937554 1180147221 /nfs/dbraw/zinc/14/72/21/1180147221.db2.gz UKKKRNVFXNRAPD-UHFFFAOYSA-N 0 0 309.356 3.323 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2)c2c1CCC2 ZINC001351265986 1180193038 /nfs/dbraw/zinc/19/30/38/1180193038.db2.gz NXEJMZBHWHBJMS-UHFFFAOYSA-N 0 0 308.425 3.480 20 10 DGCDRN CN(CCOC1CCOCC1)c1ccc(-c2nccs2)cc1 ZINC001351397194 1180208876 /nfs/dbraw/zinc/20/88/76/1180208876.db2.gz VHSLJPBRVUJVGN-UHFFFAOYSA-N 0 0 318.442 3.442 20 10 DGCDRN CCCCCCO[C@@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001351738586 1180243455 /nfs/dbraw/zinc/24/34/55/1180243455.db2.gz PEWCNQOEMVJMKA-AWEZNQCLSA-N 0 0 324.440 3.493 20 10 DGCDRN COC(=O)c1cc(OCc2ncoc2C(C)C)ccc1N(C)C ZINC001351782364 1180247392 /nfs/dbraw/zinc/24/73/92/1180247392.db2.gz PMSGWHRUQPFOIZ-UHFFFAOYSA-N 0 0 318.373 3.230 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001352321443 1180320823 /nfs/dbraw/zinc/32/08/23/1180320823.db2.gz PKLRIYPAUWAOEZ-MNOVXSKESA-N 0 0 306.435 3.357 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1CC(F)(F)C1 ZINC001352614356 1180370234 /nfs/dbraw/zinc/37/02/34/1180370234.db2.gz BCKBZDBAIRWBFR-UHFFFAOYSA-N 0 0 308.372 3.291 20 10 DGCDRN Cc1ccc(CNC(=S)N[C@H](C)c2ccccc2O)cc1 ZINC001200320415 1180542833 /nfs/dbraw/zinc/54/28/33/1180542833.db2.gz JSVYAPCPPJPJIA-CYBMUJFWSA-N 0 0 300.427 3.426 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCc2cscc2Cl)cc1 ZINC001353383713 1180544929 /nfs/dbraw/zinc/54/49/29/1180544929.db2.gz FQAQLSKLDJLZNP-UHFFFAOYSA-N 0 0 323.849 3.467 20 10 DGCDRN CCS[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N)cc1 ZINC001353492866 1180569532 /nfs/dbraw/zinc/56/95/32/1180569532.db2.gz ONPHGNQJDDUFPI-LSDHHAIUSA-N 0 0 307.463 3.132 20 10 DGCDRN CCC1(c2ccccc2)CN(C(=O)NCc2ccc(N)cc2)C1 ZINC001353540010 1180583701 /nfs/dbraw/zinc/58/37/01/1180583701.db2.gz RQWWOVWULMXUIC-UHFFFAOYSA-N 0 0 309.413 3.142 20 10 DGCDRN Cc1ncccc1/C=C\C(=O)N1C[C@@H](C)C(=O)Nc2ccccc21 ZINC001353942690 1180689800 /nfs/dbraw/zinc/68/98/00/1180689800.db2.gz PCTUHUFRDQRZFF-ASCRHOAZSA-N 0 0 321.380 3.025 20 10 DGCDRN Oc1cc2ccccc2cc1CNC(=S)NCc1ccco1 ZINC001200575109 1180730239 /nfs/dbraw/zinc/73/02/39/1180730239.db2.gz UZUOKJWHUPUPFD-UHFFFAOYSA-N 0 0 312.394 3.303 20 10 DGCDRN Cn1cnc(/C=C/C(=O)N(Cc2ccccc2)c2ccccn2)c1 ZINC001354340999 1180773168 /nfs/dbraw/zinc/77/31/68/1180773168.db2.gz BDAIDHIGTVFZHC-ZHACJKMWSA-N 0 0 318.380 3.062 20 10 DGCDRN C/C(=C/c1cccnc1)C(=O)N1CCN(C)c2ccc(F)cc21 ZINC001354709432 1180883543 /nfs/dbraw/zinc/88/35/43/1180883543.db2.gz OMYJWAPUFGWIRF-RAXLEYEMSA-N 0 0 311.360 3.107 20 10 DGCDRN Nc1ccc(CNC(=O)NCCC2(c3ccccc3)CC2)cc1 ZINC001357561933 1181408147 /nfs/dbraw/zinc/40/81/47/1181408147.db2.gz YABHEPDRXKUDTD-UHFFFAOYSA-N 0 0 309.413 3.190 20 10 DGCDRN C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)NCc1ccc(N)cc1 ZINC001357791849 1181428434 /nfs/dbraw/zinc/42/84/34/1181428434.db2.gz QCBSLAYPKPXPFR-CMPLNLGQSA-N 0 0 315.339 3.141 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1coc(C(C)(C)C)n1 ZINC001435118440 1181790968 /nfs/dbraw/zinc/79/09/68/1181790968.db2.gz MINWMNZFPJKYMK-UHFFFAOYSA-N 0 0 315.417 3.277 20 10 DGCDRN C/C(=C/C(=O)N(CC(F)F)c1ccccc1)c1cnccn1 ZINC001435396163 1181811249 /nfs/dbraw/zinc/81/12/49/1181811249.db2.gz QAOAFNOFHCITNU-XFXZXTDPSA-N 0 0 303.312 3.178 20 10 DGCDRN CC(=O)c1ccsc1NC(=O)c1ccc(C2=S=CC=C2)o1 ZINC001436485407 1181888842 /nfs/dbraw/zinc/88/88/42/1181888842.db2.gz PPPVGZIZUQNSDJ-UHFFFAOYSA-N 0 0 317.391 3.422 20 10 DGCDRN CCO[C@H]1C[C@@H](NC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001436631739 1181901885 /nfs/dbraw/zinc/90/18/85/1181901885.db2.gz ULZXPNGFQXNMKX-MAEOIBBWSA-N 0 0 312.413 3.391 20 10 DGCDRN Cc1ncccc1/C=C\C(=O)N1CCOc2c(F)cc(F)cc21 ZINC001437291705 1181929419 /nfs/dbraw/zinc/92/94/19/1181929419.db2.gz YHUGXVONRLIYQG-PLNGDYQASA-N 0 0 316.307 3.107 20 10 DGCDRN Cc1ccc(C[C@@H](C)NC(=O)c2ccc(C)c(O)c2O)c(C)c1 ZINC001443955792 1182111597 /nfs/dbraw/zinc/11/15/97/1182111597.db2.gz ZHJMZZHJYNVHAB-CQSZACIVSA-N 0 0 313.397 3.384 20 10 DGCDRN Cc1ccc(C[C@H](C)NC(=O)c2ccc(C)c(O)c2O)c(C)c1 ZINC001443955791 1182111807 /nfs/dbraw/zinc/11/18/07/1182111807.db2.gz ZHJMZZHJYNVHAB-AWEZNQCLSA-N 0 0 313.397 3.384 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1ccc(F)c(C(F)F)c1 ZINC001445899617 1182157249 /nfs/dbraw/zinc/15/72/49/1182157249.db2.gz HETODBUZXFUMRI-UHFFFAOYSA-N 0 0 311.259 3.105 20 10 DGCDRN CON(Cc1ccccc1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001447539281 1182190993 /nfs/dbraw/zinc/19/09/93/1182190993.db2.gz UDMCWUATGSAQJP-UHFFFAOYSA-N 0 0 312.329 3.053 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2cccnc2c1 ZINC001447561494 1182192497 /nfs/dbraw/zinc/19/24/97/1182192497.db2.gz JCZSLWWJWOAFSM-GFCCVEGCSA-N 0 0 322.364 3.007 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C)C(C)(C)C1(C)C ZINC001447566386 1182192630 /nfs/dbraw/zinc/19/26/30/1182192630.db2.gz WWHFUDIYXYXTSL-LLVKDONJSA-N 0 0 305.418 3.217 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(F)c(C=O)c1)c1ccc(N(C)C)cc1 ZINC001447972745 1182199697 /nfs/dbraw/zinc/19/96/97/1182199697.db2.gz QLANRGBTKUNCHJ-GFCCVEGCSA-N 0 0 314.360 3.195 20 10 DGCDRN CCCOc1ccc(CN[C@H](CC2CC2)C(=O)OC)cc1C ZINC001652681709 1195635843 /nfs/dbraw/zinc/63/58/43/1195635843.db2.gz QBNQLCZYIRGIPN-MRXNPFEDSA-N 0 0 305.418 3.215 20 10 DGCDRN CCC[C@@H]1CCCC[C@@H]1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001451454821 1182269992 /nfs/dbraw/zinc/26/99/92/1182269992.db2.gz GWIDSQFTTLDBKW-HUUCEWRRSA-N 0 0 305.418 3.363 20 10 DGCDRN O=C(CCSc1ccc(F)cc1)NCc1ccc(O)cc1O ZINC001451769989 1182275029 /nfs/dbraw/zinc/27/50/29/1182275029.db2.gz NVJDAZAWGHBFEA-UHFFFAOYSA-N 0 0 321.373 3.036 20 10 DGCDRN CCOc1cccc(C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001451957424 1182278332 /nfs/dbraw/zinc/27/83/32/1182278332.db2.gz SWJKNPOOZGESNK-UHFFFAOYSA-N 0 0 322.364 3.269 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccc3c(c2)CCCC3=O)c(O)c1O ZINC001452163134 1182283757 /nfs/dbraw/zinc/28/37/57/1182283757.db2.gz IYEADOVGLCJVPX-UHFFFAOYSA-N 0 0 311.337 3.178 20 10 DGCDRN CCc1ccc(C(=O)NCc2cc(C)ccc2O)cc1[N+](=O)[O-] ZINC001453648520 1182321688 /nfs/dbraw/zinc/32/16/88/1182321688.db2.gz JMIYVUOBRTVJFZ-UHFFFAOYSA-N 0 0 314.341 3.101 20 10 DGCDRN COc1ccc(Cl)cc1C(=O)NCc1cc(C)ccc1O ZINC001453653656 1182322016 /nfs/dbraw/zinc/32/20/16/1182322016.db2.gz WMBPYHQBAZRULU-UHFFFAOYSA-N 0 0 305.761 3.293 20 10 DGCDRN O=C(CSc1ccccc1Cl)NCc1cccc(O)c1O ZINC001455315436 1182366654 /nfs/dbraw/zinc/36/66/54/1182366654.db2.gz FRDUZTYTFWDSMR-UHFFFAOYSA-N 0 0 323.801 3.160 20 10 DGCDRN CC(C)(C)c1ccc(C(=O)NCc2c(O)cccc2O)s1 ZINC001456238570 1182407139 /nfs/dbraw/zinc/40/71/39/1182407139.db2.gz ZOHCQIJIESYTDE-UHFFFAOYSA-N 0 0 305.399 3.387 20 10 DGCDRN Cc1cc2[nH]c(C(=O)NCc3c(O)cccc3O)cc2c(C)c1 ZINC001456235946 1182407607 /nfs/dbraw/zinc/40/76/07/1182407607.db2.gz PQKXKBBCUDYJLB-UHFFFAOYSA-N 0 0 310.353 3.126 20 10 DGCDRN CC(C)(CCC(=O)NCc1c(O)cccc1O)c1ccccc1 ZINC001456235733 1182407634 /nfs/dbraw/zinc/40/76/34/1182407634.db2.gz NKSZPHROOQJGOU-UHFFFAOYSA-N 0 0 313.397 3.472 20 10 DGCDRN O=C(/C=C\c1cncc(F)c1)NCc1c(O)ccc2ccccc21 ZINC001456320825 1182409777 /nfs/dbraw/zinc/40/97/77/1182409777.db2.gz RKGBPVRHMGVXFE-YVMONPNESA-N 0 0 322.339 3.409 20 10 DGCDRN CC[C@H](CC(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC001458039143 1182490882 /nfs/dbraw/zinc/49/08/82/1182490882.db2.gz HSPNCRPPQCSIIQ-MRXNPFEDSA-N 0 0 318.461 3.416 20 10 DGCDRN CCOc1ccc(C[NH2+][C@@H](CC2CCCCC2)C(=O)[O-])c(O)c1 ZINC001605691868 1193165197 /nfs/dbraw/zinc/16/51/97/1193165197.db2.gz NLARJROZVMICCM-INIZCTEOSA-N 0 0 321.417 3.304 20 10 DGCDRN Cc1ncccc1/C=C/C(=O)N1C[C@@H](C)Oc2c(F)cccc21 ZINC001459125075 1182570329 /nfs/dbraw/zinc/57/03/29/1182570329.db2.gz NWPAMABUAMCOQF-IDVQTMNDSA-N 0 0 312.344 3.356 20 10 DGCDRN COc1ccc2c(c1)C[C@H](CN(C)c1ccc(OC)c(F)c1)O2 ZINC001459719664 1182609282 /nfs/dbraw/zinc/60/92/82/1182609282.db2.gz WHCXYBIBPANGLJ-OAHLLOKOSA-N 0 0 317.360 3.283 20 10 DGCDRN COc1cccc(C2([NH2+]Cc3cc(F)c(F)cc3[O-])CC2)c1 ZINC001621326729 1193171925 /nfs/dbraw/zinc/17/19/25/1193171925.db2.gz VVWKNTYPIHKZRF-UHFFFAOYSA-N 0 0 305.324 3.458 20 10 DGCDRN COC(=O)COc1ccc(N(C)C[C@@H]2CCCC(C)(C)O2)cc1 ZINC001459939663 1182631459 /nfs/dbraw/zinc/63/14/59/1182631459.db2.gz YRRDEHOCIFHNGC-INIZCTEOSA-N 0 0 321.417 3.022 20 10 DGCDRN COC(=O)c1ccc(OC)c(CN(C)c2ccc(OC)cc2)c1 ZINC001460337005 1182678786 /nfs/dbraw/zinc/67/87/86/1182678786.db2.gz UGCLDZRFTYWGEF-UHFFFAOYSA-N 0 0 315.369 3.127 20 10 DGCDRN C[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1Cl)c1ccccc1O ZINC001460641171 1182703159 /nfs/dbraw/zinc/70/31/59/1182703159.db2.gz YHGGWXXBEKGZBY-JTQLQIEISA-N 0 0 322.767 3.474 20 10 DGCDRN CCOc1ccc(N(C)Cc2cc(C(=O)OC)oc2C)cc1 ZINC001460736873 1182714656 /nfs/dbraw/zinc/71/46/56/1182714656.db2.gz LRYJQBKCMAMDSV-UHFFFAOYSA-N 0 0 303.358 3.410 20 10 DGCDRN CC1CCN(CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001461041655 1182760140 /nfs/dbraw/zinc/76/01/40/1182760140.db2.gz CMWKVAHYLVVXOL-UHFFFAOYSA-N 0 0 300.805 3.006 20 10 DGCDRN COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C2 ZINC001461375707 1182802227 /nfs/dbraw/zinc/80/22/27/1182802227.db2.gz CHYWSVMIJFZPSQ-OAHLLOKOSA-N 0 0 319.351 3.326 20 10 DGCDRN COc1ccc2c(c1)CC[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C2 ZINC001461375706 1182803025 /nfs/dbraw/zinc/80/30/25/1182803025.db2.gz CHYWSVMIJFZPSQ-HNNXBMFYSA-N 0 0 319.351 3.326 20 10 DGCDRN CCn1c2ccccc2nc1C[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001462062972 1182903311 /nfs/dbraw/zinc/90/33/11/1182903311.db2.gz MYPKAPZXDMSFKE-UHFFFAOYSA-N 0 0 317.339 3.330 20 10 DGCDRN CCOC(=O)[C@H](C)N(C/C=C/c1ccc(N(C)C)cc1)C1CC1 ZINC001462094198 1182907083 /nfs/dbraw/zinc/90/70/83/1182907083.db2.gz KOVDXAGUCZKNPL-LFAOLKIESA-N 0 0 316.445 3.182 20 10 DGCDRN CN(C)c1ccc(/C=C/C[NH2+][C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC001606053868 1193188553 /nfs/dbraw/zinc/18/85/53/1193188553.db2.gz CZJLEPFHZUZBRW-IPLHWJFFSA-N 0 0 310.397 3.181 20 10 DGCDRN C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(F)c(F)cc1[O-] ZINC001462143783 1182914544 /nfs/dbraw/zinc/91/45/44/1182914544.db2.gz AMXBTWLWDSNQBR-UHFFFAOYSA-N 0 0 322.311 3.253 20 10 DGCDRN COc1cc(C)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c(O)c1 ZINC001462169558 1182917451 /nfs/dbraw/zinc/91/74/51/1182917451.db2.gz KNCHRXVJWNQNKR-GXFFZTMASA-N 0 0 303.324 3.482 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@H](CCO)c1ccccc1F ZINC001462368144 1182943737 /nfs/dbraw/zinc/94/37/37/1182943737.db2.gz GVIAJNINQUWOQP-OAHLLOKOSA-N 0 0 311.303 3.023 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCCCC2)cc1 ZINC001463630932 1183037283 /nfs/dbraw/zinc/03/72/83/1183037283.db2.gz FJDTUHRPEMOORF-UHFFFAOYSA-N 0 0 324.424 3.462 20 10 DGCDRN CCc1nc(NC(=O)c2ccc(N=NC(N)=O)cc2)sc1C ZINC001463755363 1183044562 /nfs/dbraw/zinc/04/45/62/1183044562.db2.gz XXALXWDEEUZRKM-UHFFFAOYSA-N 0 0 317.374 3.429 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@]1(O)CCCC(C)(C)C1 ZINC001465028541 1183126114 /nfs/dbraw/zinc/12/61/14/1183126114.db2.gz GSCQJRYHISWVOK-LJQANCHMSA-N 0 0 318.461 3.009 20 10 DGCDRN C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Cc1ccc(O)c(O)c1 ZINC001465120261 1183130967 /nfs/dbraw/zinc/13/09/67/1183130967.db2.gz ROHCAQUMTIYLEZ-BBRMVZONSA-N 0 0 311.381 3.045 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C=C(\C)c2ccco2)c1 ZINC001465991382 1183181860 /nfs/dbraw/zinc/18/18/60/1183181860.db2.gz CVNZEEQXJZUGBQ-LMMOQWNQSA-N 0 0 301.342 3.275 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC001466250457 1183194975 /nfs/dbraw/zinc/19/49/75/1183194975.db2.gz KHMAUOGFGZSVAJ-UHFFFAOYSA-N 0 0 315.329 3.239 20 10 DGCDRN Cc1ccc(C2=CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)cc1 ZINC001626193449 1193210154 /nfs/dbraw/zinc/21/01/54/1193210154.db2.gz DWTDAPOCXDCFOB-UHFFFAOYSA-N 0 0 323.392 3.265 20 10 DGCDRN C[C@H](NC(=O)Nc1cc2ccccc2nn1)c1ccccc1O ZINC001466951571 1183231455 /nfs/dbraw/zinc/23/14/55/1183231455.db2.gz XYLXTXDBAUEWDJ-NSHDSACASA-N 0 0 308.341 3.218 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC[C@H]2C=CCC2)cc1 ZINC001468121422 1183310466 /nfs/dbraw/zinc/31/04/66/1183310466.db2.gz KCMZIAKYZIGEFT-HNNXBMFYSA-N 0 0 301.434 3.298 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)cc1 ZINC001468121588 1183310965 /nfs/dbraw/zinc/31/09/65/1183310965.db2.gz OQUMRLUNMQIJCV-NKGKWGDASA-N 0 0 315.461 3.377 20 10 DGCDRN CC(C)[C@@]1(C)C[C@H]1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC001468321499 1183325793 /nfs/dbraw/zinc/32/57/93/1183325793.db2.gz TVPYBNFSYUEUJD-IEBWSBKVSA-N 0 0 315.461 3.303 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nc1nccn1C ZINC001469048309 1183380251 /nfs/dbraw/zinc/38/02/51/1183380251.db2.gz PHVNRXMWDDWZRC-UHFFFAOYSA-N 0 0 308.385 3.388 20 10 DGCDRN C[C@H]1CCc2ccccc2[C@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001546172185 1183383314 /nfs/dbraw/zinc/38/33/14/1183383314.db2.gz PFAJOSRXSYWNBQ-BUXKBTBVSA-N 0 0 311.381 3.080 20 10 DGCDRN CC1(C)CCC[C@H]1[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001469337973 1183401766 /nfs/dbraw/zinc/40/17/66/1183401766.db2.gz JHYRXBFCNKIVTO-CABCVRRESA-N 0 0 317.429 3.315 20 10 DGCDRN COc1ccc(O)c(C[NH2+]Cc2cc(C(=O)[O-])ccc2Cl)c1 ZINC001607277870 1193222038 /nfs/dbraw/zinc/22/20/38/1193222038.db2.gz YWINXODMDQSMSJ-UHFFFAOYSA-N 0 0 321.760 3.042 20 10 DGCDRN O=C(Cc1noc2ccccc21)NCc1cc(Cl)ccc1O ZINC001469873555 1183443281 /nfs/dbraw/zinc/44/32/81/1183443281.db2.gz BTQBFEHTRNKNEE-UHFFFAOYSA-N 0 0 316.744 3.046 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)COc2cccc(Cl)c2C)c1 ZINC001470254860 1183473666 /nfs/dbraw/zinc/47/36/66/1183473666.db2.gz MEEQATBTYSTVJC-UHFFFAOYSA-N 0 0 319.788 3.358 20 10 DGCDRN Cc1cc(N(C)C(=O)/C=C/c2cnc3ccccc3n2)ccc1O ZINC001471035750 1183532591 /nfs/dbraw/zinc/53/25/91/1183532591.db2.gz GBPLZFSQIQHCFS-JXMROGBWSA-N 0 0 319.364 3.320 20 10 DGCDRN Cc1noc2nc(C)cc(C(=O)N[C@H](C)c3ccccc3O)c12 ZINC001471195147 1183545627 /nfs/dbraw/zinc/54/56/27/1183545627.db2.gz DKHJVMKJKBMJGV-SNVBAGLBSA-N 0 0 311.341 3.036 20 10 DGCDRN C[C@H](NC(=O)c1ccc(-c2cc[nH]n2)s1)c1ccccc1O ZINC001471194950 1183545655 /nfs/dbraw/zinc/54/56/55/1183545655.db2.gz QYOCAVOUASILJN-JTQLQIEISA-N 0 0 313.382 3.335 20 10 DGCDRN COc1ccccc1SCC(=O)N1Cc2cccc(O)c2C1 ZINC001471355818 1183558337 /nfs/dbraw/zinc/55/83/37/1183558337.db2.gz WKJPGUNLNCHMNR-UHFFFAOYSA-N 0 0 315.394 3.035 20 10 DGCDRN Cc1ccc(F)c2[nH]c(C(=O)N3Cc4cccc(O)c4C3)cc21 ZINC001471355350 1183558384 /nfs/dbraw/zinc/55/83/84/1183558384.db2.gz GRVKPBBKYNFUJI-UHFFFAOYSA-N 0 0 310.328 3.477 20 10 DGCDRN Cc1cn(CC(=O)NCc2c(O)cccc2F)c2ccccc12 ZINC001471974771 1183603720 /nfs/dbraw/zinc/60/37/20/1183603720.db2.gz JOYDLJHJSOYUBM-UHFFFAOYSA-N 0 0 312.344 3.111 20 10 DGCDRN Cc1ccc(C(=O)NCc2c(O)cccc2F)c2ncccc12 ZINC001471975888 1183604434 /nfs/dbraw/zinc/60/44/34/1183604434.db2.gz LKBWETSIVNGXIF-UHFFFAOYSA-N 0 0 310.328 3.318 20 10 DGCDRN O=C(N[C@H]1C[C@H](c2ccc(F)cc2F)C1)c1cccc(O)c1O ZINC001472079042 1183614326 /nfs/dbraw/zinc/61/43/26/1183614326.db2.gz YVMJCOPIDJHUSO-HOMQSWHASA-N 0 0 319.307 3.052 20 10 DGCDRN Cc1nc(NCc2ccc3cccnc3c2O)ccc1[N+](=O)[O-] ZINC001472810244 1183685008 /nfs/dbraw/zinc/68/50/08/1183685008.db2.gz GEZWCSKJTGFNKV-UHFFFAOYSA-N 0 0 310.313 3.164 20 10 DGCDRN COc1ccc(N(C)CCN(C)c2cnc3ccccc3n2)cc1 ZINC001472823986 1183686448 /nfs/dbraw/zinc/68/64/48/1183686448.db2.gz NYTUERUOPBBSPD-UHFFFAOYSA-N 0 0 322.412 3.211 20 10 DGCDRN C[C@@H](Nc1ccc2nnc(C(F)(F)F)n2n1)c1ccccc1O ZINC001472855653 1183691492 /nfs/dbraw/zinc/69/14/92/1183691492.db2.gz BRPGKEYSEXOMOX-MRVPVSSYSA-N 0 0 323.278 3.022 20 10 DGCDRN CCc1nc(CN2C[C@H](C(C)C)Cc3cc(OC)ccc32)no1 ZINC001473570682 1183774434 /nfs/dbraw/zinc/77/44/34/1183774434.db2.gz ZTODUARHGJTBLL-CQSZACIVSA-N 0 0 315.417 3.476 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNc1ccc2c(c1)C(=O)NC2 ZINC001474048128 1183857163 /nfs/dbraw/zinc/85/71/63/1183857163.db2.gz GDJLLFQUFSCCOI-UHFFFAOYSA-N 0 0 305.381 3.342 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccc2[nH]c(=O)oc2c1 ZINC001474227339 1183885630 /nfs/dbraw/zinc/88/56/30/1183885630.db2.gz USPDXRZLDQPAFS-QMMMGPOBSA-N 0 0 320.295 3.368 20 10 DGCDRN CCc1oc(CN2CCc3cc(OC)ccc32)cc1C(=O)OC ZINC001474386751 1183913562 /nfs/dbraw/zinc/91/35/62/1183913562.db2.gz HYHUHGJSTYZCKB-UHFFFAOYSA-N 0 0 315.369 3.200 20 10 DGCDRN COC(=O)Cc1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC001474645174 1183954683 /nfs/dbraw/zinc/95/46/83/1183954683.db2.gz DBUNOFMEYGTKEM-UHFFFAOYSA-N 0 0 319.788 3.051 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC001474671118 1183958388 /nfs/dbraw/zinc/95/83/88/1183958388.db2.gz RLVLCDJSDFUKFI-ONGXEEELSA-N 0 0 301.814 3.370 20 10 DGCDRN [O-]c1c(F)cccc1C[NH2+][C@H](Cn1ccnc1)c1ccccc1 ZINC001474683271 1183960814 /nfs/dbraw/zinc/96/08/14/1183960814.db2.gz WTWYSZKXVQGZQC-QGZVFWFLSA-N 0 0 311.360 3.259 20 10 DGCDRN Oc1cccc2c1CN(Cc1nc(Br)cs1)C2 ZINC001474677073 1183960983 /nfs/dbraw/zinc/96/09/83/1183960983.db2.gz BWBBOKJCVSFVQJ-UHFFFAOYSA-N 0 0 311.204 3.127 20 10 DGCDRN COc1cccc2c1CC[C@H]([NH2+]Cc1c([O-])cccc1F)C2 ZINC001474716426 1183968279 /nfs/dbraw/zinc/96/82/79/1183968279.db2.gz MMEPZRSCFBFXPP-ZDUSSCGKSA-N 0 0 301.361 3.187 20 10 DGCDRN COc1c([O-])c(C[NH2+]C[C@@H]2C[C@H]2C2CCCC2)ccc1[N+](=O)[O-] ZINC001474755267 1183973772 /nfs/dbraw/zinc/97/37/72/1183973772.db2.gz ISHUAJQLJLPVIX-KBPBESRZSA-N 0 0 320.389 3.225 20 10 DGCDRN Cc1cc(S(=O)(=O)N2Cc3cccc(O)c3C2)ccc1Cl ZINC001475608481 1184011040 /nfs/dbraw/zinc/01/10/40/1184011040.db2.gz PAPLPFXYGLTPON-UHFFFAOYSA-N 0 0 323.801 3.059 20 10 DGCDRN C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1O ZINC001475937856 1184023078 /nfs/dbraw/zinc/02/30/78/1184023078.db2.gz PGHUSTZMCPREEB-JTQLQIEISA-N 0 0 301.302 3.183 20 10 DGCDRN COc1cccc(NC(=O)N[C@@H](C)c2ccccc2O)c1OC ZINC001477075115 1184066525 /nfs/dbraw/zinc/06/65/25/1184066525.db2.gz SBAUJMQUUFEZHX-NSHDSACASA-N 0 0 316.357 3.292 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CC12CCC2 ZINC001478841407 1184180450 /nfs/dbraw/zinc/18/04/50/1184180450.db2.gz VTAKBDXIJMWPFX-WMLDXEAASA-N 0 0 315.461 3.234 20 10 DGCDRN Cn1c2ccc(F)cc2c(C[NH2+]CCC2(F)CCC2)c1C(=O)[O-] ZINC001608079460 1193277944 /nfs/dbraw/zinc/27/79/44/1193277944.db2.gz UENUREUENWTIGQ-UHFFFAOYSA-N 0 0 322.355 3.388 20 10 DGCDRN CC[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1C1CC1 ZINC001495138153 1185003690 /nfs/dbraw/zinc/00/36/90/1185003690.db2.gz UFLUZWNZLMGVGM-LBPRGKRZSA-N 0 0 300.406 3.469 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1COCc2ccccc21)c1cc(C(=O)[O-])ccc1O ZINC001609774827 1193355081 /nfs/dbraw/zinc/35/50/81/1193355081.db2.gz CAAXWAVOIHIBMT-BDJLRTHQSA-N 0 0 313.353 3.013 20 10 DGCDRN CCOc1ccc(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)cc1 ZINC001610041826 1193373158 /nfs/dbraw/zinc/37/31/58/1193373158.db2.gz DWSFOFQIOYOVBH-LBPRGKRZSA-N 0 0 315.369 3.340 20 10 DGCDRN Cc1ccc(OCC[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)cc1 ZINC001610510923 1193394537 /nfs/dbraw/zinc/39/45/37/1193394537.db2.gz JUIBBVCDYKBASS-ZDUSSCGKSA-N 0 0 315.369 3.128 20 10 DGCDRN Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001610574814 1193399453 /nfs/dbraw/zinc/39/94/53/1193399453.db2.gz HZFBHKFJSAUEDR-ZJUUUORDSA-N 0 0 318.373 3.150 20 10 DGCDRN O=C([O-])[C@@H]1CC12CC[NH+](Cc1ccc3ccccc3c1O)CC2 ZINC001610737858 1193405921 /nfs/dbraw/zinc/40/59/21/1193405921.db2.gz DFVAOIURWUPKNL-INIZCTEOSA-N 0 0 311.381 3.232 20 10 DGCDRN Cc1csc([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)n1 ZINC001611355464 1193431545 /nfs/dbraw/zinc/43/15/45/1193431545.db2.gz FREARHDDLDZHCU-VIFPVBQESA-N 0 0 317.374 3.105 20 10 DGCDRN Cc1oc(C(=O)[O-])cc1C[NH2+]CCCSc1nccs1 ZINC001600831565 1186635356 /nfs/dbraw/zinc/63/53/56/1186635356.db2.gz SDXVXUPDZBSFKU-UHFFFAOYSA-N 0 0 312.416 3.015 20 10 DGCDRN CN(Cc1ccccc1O)c1nnc(C(C)(F)F)n1CC1CC1 ZINC001520595805 1186954646 /nfs/dbraw/zinc/95/46/46/1186954646.db2.gz FDKXQVJTSALTKO-UHFFFAOYSA-N 0 0 322.359 3.142 20 10 DGCDRN C[C@@H]1C[C@H](C)CN1c1nnc(C2SC=CC2=O)n1CC1CC1 ZINC001520582138 1186955066 /nfs/dbraw/zinc/95/50/66/1186955066.db2.gz ZXRIJUFAAKXKTH-WDEREUQCSA-N 0 0 318.446 3.357 20 10 DGCDRN CC[C@H]1[C@@H](C)CCN1c1nnc(C2SC=CC2=O)n1CC ZINC001520737655 1186964835 /nfs/dbraw/zinc/96/48/35/1186964835.db2.gz ANCZPWNABZGGSH-QWRGUYRKSA-N 0 0 306.435 3.357 20 10 DGCDRN Cc1ccc(O)c(CNc2cc(C)nc(-c3ccccn3)n2)c1 ZINC001612628119 1193457932 /nfs/dbraw/zinc/45/79/32/1193457932.db2.gz NLFQYSMKGLIUNK-UHFFFAOYSA-N 0 0 306.369 3.473 20 10 DGCDRN Nc1ccc(CC(=O)NCC2(c3cccc(F)c3)CCC2)cc1 ZINC001522871129 1187109650 /nfs/dbraw/zinc/10/96/50/1187109650.db2.gz MHYLXIWVCLFUOP-UHFFFAOYSA-N 0 0 312.388 3.189 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001523542745 1187170654 /nfs/dbraw/zinc/17/06/54/1187170654.db2.gz VPYILMXFOPJKTP-QKDCVEJESA-N 0 0 314.429 3.304 20 10 DGCDRN Nc1ccc(CNC(=O)[C@H](Cc2cccnc2)C2CCCC2)cc1 ZINC001524009485 1187208337 /nfs/dbraw/zinc/20/83/37/1187208337.db2.gz SVCCDAMRTQFVAH-LJQANCHMSA-N 0 0 323.440 3.329 20 10 DGCDRN COCCC[C@@H](C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001525106444 1187296759 /nfs/dbraw/zinc/29/67/59/1187296759.db2.gz GOJYCRFCRXODKP-MRXNPFEDSA-N 0 0 318.461 3.308 20 10 DGCDRN CC[C@@H]1OCC[C@H]1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001525120381 1187297834 /nfs/dbraw/zinc/29/78/34/1187297834.db2.gz DDHISRONRWHFGC-MSOLQXFVSA-N 0 0 312.413 3.391 20 10 DGCDRN C[C@@H](NC(=O)Nc1ccc(CO)cc1)c1ccc(N(C)C)cc1 ZINC001526896085 1187396518 /nfs/dbraw/zinc/39/65/18/1187396518.db2.gz FESOHAFIKTXXGG-CYBMUJFWSA-N 0 0 313.401 3.128 20 10 DGCDRN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)/C=C/c1cccnc1C)CC2 ZINC001526959660 1187401886 /nfs/dbraw/zinc/40/18/86/1187401886.db2.gz VSBSRCRGKNBCNS-AATRIKPKSA-N 0 0 323.352 3.209 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCC[C@@H](C)C2)cc1 ZINC001527594694 1187438223 /nfs/dbraw/zinc/43/82/23/1187438223.db2.gz DSDGNIXAOSLNEY-CVEARBPZSA-N 0 0 318.461 3.416 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1c(F)ccnc1Cl ZINC001527715817 1187444353 /nfs/dbraw/zinc/44/43/53/1187444353.db2.gz LVBKCMQZVHYIOS-UHFFFAOYSA-N 0 0 321.783 3.179 20 10 DGCDRN Cc1ccc(Cl)c2c1CCCN2C(=O)/C=C/c1cnn(C)c1 ZINC001528789819 1187512797 /nfs/dbraw/zinc/51/27/97/1187512797.db2.gz MQVCSUIDOBLQAU-SOFGYWHQSA-N 0 0 315.804 3.375 20 10 DGCDRN C[C@H](NS(=O)(=O)CCC1CCCCC1)c1ccccc1O ZINC001656463662 1196042374 /nfs/dbraw/zinc/04/23/74/1196042374.db2.gz ZGNQJNDWRPBIOA-ZDUSSCGKSA-N 0 0 311.447 3.343 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)C[C@@H]2CC[C@@H](C)C2)cc1 ZINC001530908082 1187652699 /nfs/dbraw/zinc/65/26/99/1187652699.db2.gz XHEHTSZVSXNJJS-HZPDHXFCSA-N 0 0 318.461 3.416 20 10 DGCDRN C/C(=C/C(=O)N(CC(F)F)c1ccc(F)cc1)c1cnccn1 ZINC001531489978 1187691667 /nfs/dbraw/zinc/69/16/67/1187691667.db2.gz KUYXGNAJIIUNDU-FLIBITNWSA-N 0 0 321.302 3.317 20 10 DGCDRN CSCCCN(C(=O)/C=C/c1cccnc1)c1cccnc1 ZINC001533740238 1187846503 /nfs/dbraw/zinc/84/65/03/1187846503.db2.gz MRNIFDCYUVIPRZ-BQYQJAHWSA-N 0 0 313.426 3.276 20 10 DGCDRN C[C@H](Cc1cccs1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001615600914 1193524566 /nfs/dbraw/zinc/52/45/66/1193524566.db2.gz VXBRFTUBJMKJBJ-SNVBAGLBSA-N 0 0 316.386 3.272 20 10 DGCDRN Cc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)sc1C=O ZINC001540440761 1188240114 /nfs/dbraw/zinc/24/01/14/1188240114.db2.gz SLMMUGLMEHTHDH-UHFFFAOYSA-N 0 0 316.426 3.207 20 10 DGCDRN CCC(=O)C1(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CC1 ZINC001540488625 1188241965 /nfs/dbraw/zinc/24/19/65/1188241965.db2.gz YCIFIYJNZCYRJE-UHFFFAOYSA-N 0 0 314.429 3.005 20 10 DGCDRN Cc1ccc(CCNC(=O)c2cc3cc(O)c(O)cc3s2)o1 ZINC001540956990 1188266738 /nfs/dbraw/zinc/26/67/38/1188266738.db2.gz WXZXMEYCRXVRJZ-UHFFFAOYSA-N 0 0 317.366 3.186 20 10 DGCDRN CC(C)N(Cc1cccc(F)c1)C(=O)c1cccc(O)c1O ZINC001542287394 1188281549 /nfs/dbraw/zinc/28/15/49/1188281549.db2.gz VQRMHWMDGVLCJB-UHFFFAOYSA-N 0 0 303.333 3.288 20 10 DGCDRN Cc1cnccc1/C=C/C(=O)Nc1c2nonc2ccc1Cl ZINC001543806022 1188364714 /nfs/dbraw/zinc/36/47/14/1188364714.db2.gz RMJQZVNQKBOCNF-GORDUTHDSA-N 0 0 314.732 3.232 20 10 DGCDRN O=C([C@H]1CCC=CO1)N(Cc1ccco1)Cc1ccccc1O ZINC001545496440 1188431603 /nfs/dbraw/zinc/43/16/03/1188431603.db2.gz LTTCPJMYSVIPAK-QGZVFWFLSA-N 0 0 313.353 3.207 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(F)cc(F)c1N ZINC001545505125 1188432399 /nfs/dbraw/zinc/43/23/99/1188432399.db2.gz VMLBTJKNJPGAJF-UHFFFAOYSA-N 0 0 320.339 3.305 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NC2CCC2)ccc1C ZINC001556940498 1189030866 /nfs/dbraw/zinc/03/08/66/1189030866.db2.gz PYMLHWQBZVEVTR-UHFFFAOYSA-N 0 0 310.397 3.497 20 10 DGCDRN O=C(Cc1ccc2ccccc2c1)NCc1ccc(O)cc1O ZINC001557084735 1189039652 /nfs/dbraw/zinc/03/96/52/1189039652.db2.gz MIFVNTAEJKDWOH-UHFFFAOYSA-N 0 0 307.349 3.110 20 10 DGCDRN CSc1ccc(CCC(=O)NCc2ccc(O)cc2O)cc1 ZINC001557085569 1189040012 /nfs/dbraw/zinc/04/00/12/1189040012.db2.gz PTUHTXGINCQYIC-UHFFFAOYSA-N 0 0 317.410 3.069 20 10 DGCDRN Cc1ccccc1C1(NC(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC001557157440 1189044787 /nfs/dbraw/zinc/04/47/87/1189044787.db2.gz IWXJEXDKFGALMU-CLFYSBASSA-N 0 0 309.365 3.225 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cc(-c3cccs3)n[nH]2)c1 ZINC001557554395 1189071839 /nfs/dbraw/zinc/07/18/39/1189071839.db2.gz YIUYERZUUVVOKJ-UHFFFAOYSA-N 0 0 313.382 3.082 20 10 DGCDRN C[C@H](NC(=O)c1cc2ccccc2c(=O)[nH]1)c1ccccc1O ZINC001557968044 1189095617 /nfs/dbraw/zinc/09/56/17/1189095617.db2.gz QKVKDXBPZOEZSZ-NSHDSACASA-N 0 0 308.337 3.137 20 10 DGCDRN C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1cc2cnccc2o1 ZINC001558068002 1189102459 /nfs/dbraw/zinc/10/24/59/1189102459.db2.gz JSWSFBSVLKVIRQ-USEMIUTHSA-N 0 0 324.336 3.130 20 10 DGCDRN C[C@@H](C(=O)NCc1cccc(O)c1O)c1cc2ccccc2o1 ZINC001558162309 1189108537 /nfs/dbraw/zinc/10/85/37/1189108537.db2.gz YUKJRUPHKNCRIA-LLVKDONJSA-N 0 0 311.337 3.264 20 10 DGCDRN C/C(=C/c1cccc(Cl)c1)C(=O)NCc1c(O)cccc1O ZINC001558533904 1189132309 /nfs/dbraw/zinc/13/23/09/1189132309.db2.gz MSTORITXQMYZBJ-FLIBITNWSA-N 0 0 317.772 3.471 20 10 DGCDRN C[C@@H](CCc1cccc(F)c1)C(=O)NCc1c(O)cccc1O ZINC001558533852 1189132363 /nfs/dbraw/zinc/13/23/63/1189132363.db2.gz LQPDPNKNSMXLMR-LBPRGKRZSA-N 0 0 317.360 3.122 20 10 DGCDRN C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC001558672412 1189140634 /nfs/dbraw/zinc/14/06/34/1189140634.db2.gz PZNZMOWFYZLWIY-DKSFEKEHSA-N 0 0 301.317 3.128 20 10 DGCDRN O=C(CSc1ccccc1)NCc1cccc(Cl)c1O ZINC001558756784 1189146288 /nfs/dbraw/zinc/14/62/88/1189146288.db2.gz BHJIGBRKPLZREY-UHFFFAOYSA-N 0 0 307.802 3.454 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC001559214684 1189181604 /nfs/dbraw/zinc/18/16/04/1189181604.db2.gz SQHLOPDPSILFGG-ZDUSSCGKSA-N 0 0 314.389 3.407 20 10 DGCDRN CCN(C[C@@H]1C[C@H]2CCC[C@H]2O1)c1ccc(OC)c(OC)c1 ZINC001559642228 1189225781 /nfs/dbraw/zinc/22/57/81/1189225781.db2.gz HEJDMZCBMXUCDL-VNQPRFMTSA-N 0 0 305.418 3.488 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1c(F)cccc1F ZINC001559714153 1189233979 /nfs/dbraw/zinc/23/39/79/1189233979.db2.gz LKYRHLBQYBCCHJ-UHFFFAOYSA-N 0 0 304.340 3.430 20 10 DGCDRN COc1cc2c(c(OC)c1)N(CCC1(OC)CCC1)CCC2 ZINC001559911418 1189255703 /nfs/dbraw/zinc/25/57/03/1189255703.db2.gz HTBOVBUQDITSCR-UHFFFAOYSA-N 0 0 305.418 3.416 20 10 DGCDRN COc1ccc(N(C)CC(=O)N(C)[C@H]2CCCC[C@H]2C)cc1 ZINC001559970045 1189264215 /nfs/dbraw/zinc/26/42/15/1189264215.db2.gz ZVWBXAVMWKAHEX-PBHICJAKSA-N 0 0 304.434 3.169 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1nc2ccccc2n1C ZINC001560348917 1189316080 /nfs/dbraw/zinc/31/60/80/1189316080.db2.gz QPCFHCWFUZAZLQ-JTQLQIEISA-N 0 0 317.339 3.408 20 10 DGCDRN COC[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccc(F)cc1 ZINC001560355358 1189317262 /nfs/dbraw/zinc/31/72/62/1189317262.db2.gz WXABIEGASYSUFU-HNNXBMFYSA-N 0 0 311.303 3.287 20 10 DGCDRN Cc1cc(O)c(CN2CCC[C@H]2C(=O)OC(C)C)cc1Cl ZINC001560645800 1189354679 /nfs/dbraw/zinc/35/46/79/1189354679.db2.gz FHRQMIHBJNRALK-AWEZNQCLSA-N 0 0 311.809 3.270 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC001560648614 1189356031 /nfs/dbraw/zinc/35/60/31/1189356031.db2.gz RDLCEWUQEPJHOW-UHFFFAOYSA-N 0 0 318.367 3.383 20 10 DGCDRN CC(C)c1ncc(CN(C)Cc2cc(F)c(F)cc2O)cn1 ZINC001560778408 1189380372 /nfs/dbraw/zinc/38/03/72/1189380372.db2.gz IKVLRCICSTXTFS-UHFFFAOYSA-N 0 0 307.344 3.216 20 10 DGCDRN CN(C)c1cc(F)c(CN2CC(Cc3ccoc3)C2)cc1F ZINC001561039018 1189424482 /nfs/dbraw/zinc/42/44/82/1189424482.db2.gz GWQICALKLLXLJX-UHFFFAOYSA-N 0 0 306.356 3.298 20 10 DGCDRN Cn1ccc2c1cccc2NC(=O)NCc1c(O)cccc1F ZINC001562309849 1189479521 /nfs/dbraw/zinc/47/95/21/1189479521.db2.gz WUUXUWHAXXIBLW-UHFFFAOYSA-N 0 0 313.332 3.345 20 10 DGCDRN C[C@H]1CCC[C@@H]1CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC001563791749 1189534477 /nfs/dbraw/zinc/53/44/77/1189534477.db2.gz GBOAOLMLRVMBTH-WMLDXEAASA-N 0 0 315.461 3.304 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC1(C2CC2)CCC1 ZINC001564007126 1189545310 /nfs/dbraw/zinc/54/53/10/1189545310.db2.gz AJELBGYQANYVFH-UHFFFAOYSA-N 0 0 301.434 3.193 20 10 DGCDRN COC1(CNC(=O)N[C@H](C)c2ccccc2O)CCC(C)CC1 ZINC001564698024 1189592215 /nfs/dbraw/zinc/59/22/15/1189592215.db2.gz BLESKJFHYIIKMD-TXKKKEFDSA-N 0 0 320.433 3.348 20 10 DGCDRN O=C(NCc1c(O)cccc1F)NC[C@@H]1CCC[C@@H]1C1CC1 ZINC001564921808 1189606339 /nfs/dbraw/zinc/60/63/39/1189606339.db2.gz MCLMPUHCDXXVMJ-QWHCGFSZSA-N 0 0 306.381 3.157 20 10 DGCDRN COc1ccc(CNC(=O)NC[C@H]2CC3CCC2CC3)c(O)c1 ZINC001564967241 1189610169 /nfs/dbraw/zinc/61/01/69/1189610169.db2.gz QQVGBSFDEGBBJX-SSDMNJCBSA-N 0 0 318.417 3.026 20 10 DGCDRN COc1cccc(CNC(=O)c2ccc(C)c3cccnc23)c1O ZINC001566374734 1189765758 /nfs/dbraw/zinc/76/57/58/1189765758.db2.gz SCZQQJPUZTVUCW-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN Cc1cc(CC(=O)N(C2CC2)C2COC2)c(C)n1-c1ccccc1 ZINC001569551059 1190715708 /nfs/dbraw/zinc/71/57/08/1190715708.db2.gz XVNILJUPYFXPSP-UHFFFAOYSA-N 0 0 324.424 3.026 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H]1CC[C@H](C)O1 ZINC001570152585 1190803854 /nfs/dbraw/zinc/80/38/54/1190803854.db2.gz RBHUWRSJFXKJBO-KBPBESRZSA-N 0 0 318.442 3.453 20 10 DGCDRN COc1cc(C(=O)NCc2ccc3cccnc3c2O)ccc1C ZINC001570531978 1190877418 /nfs/dbraw/zinc/87/74/18/1190877418.db2.gz VLPAROVTNTXBMZ-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN CN(C)c1ccc(C[NH2+]Cc2cc(F)ccc2N(C)C)cc1F ZINC001620756343 1191439175 /nfs/dbraw/zinc/43/91/75/1191439175.db2.gz MOSXGDINDJFCEK-UHFFFAOYSA-N 0 0 319.399 3.387 20 10 DGCDRN CC(C)OC1(CNC(=O)Cc2ccc(N)cc2)CCCCC1 ZINC001575740393 1191505551 /nfs/dbraw/zinc/50/55/51/1191505551.db2.gz GZSKLRGFRINGMU-UHFFFAOYSA-N 0 0 304.434 3.055 20 10 DGCDRN CCOc1ccc(N(C)C[C@@H]2CCC[C@]3(CCOC3)O2)cc1 ZINC001620559744 1193778528 /nfs/dbraw/zinc/77/85/28/1193778528.db2.gz BHZWYUVSYUAJMM-ZWKOTPCHSA-N 0 0 305.418 3.250 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H](CO)CCc1ccccc1 ZINC001621074795 1193799324 /nfs/dbraw/zinc/79/93/24/1193799324.db2.gz JHOKPEOLBLFUOS-HNNXBMFYSA-N 0 0 323.795 3.268 20 10 DGCDRN Cn1cc(Cl)cc1C[N@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001621135738 1193807190 /nfs/dbraw/zinc/80/71/90/1193807190.db2.gz WGDSJEGHRXKFKF-UHFFFAOYSA-N 0 0 300.736 3.294 20 10 DGCDRN C[C@@]1(c2ccccc2)CN(Cc2cc(F)c(F)cc2O)CCO1 ZINC001621180922 1193813193 /nfs/dbraw/zinc/81/31/93/1193813193.db2.gz HIAZBEVYWVGHDW-SFHVURJKSA-N 0 0 319.351 3.418 20 10 DGCDRN COc1cc(C)cc(CNc2ccc(Br)nc2)c1O ZINC001621215238 1193817390 /nfs/dbraw/zinc/81/73/90/1193817390.db2.gz GMBYWICZHKFBEL-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN COc1cc(C)c(CNc2cccc([S@](C)=O)c2)c(O)c1 ZINC001621349125 1193831111 /nfs/dbraw/zinc/83/11/11/1193831111.db2.gz XUAYTKCIWMBOEG-NRFANRHFSA-N 0 0 305.399 3.059 20 10 DGCDRN CN(C)c1ccc(/C=C/CN2C[C@H](CO)c3ccccc32)cc1 ZINC001621349401 1193831926 /nfs/dbraw/zinc/83/19/26/1193831926.db2.gz GMXRWSWHCZFZQY-FUTAKVPZSA-N 0 0 308.425 3.362 20 10 DGCDRN CCC(C)(C)OC1CN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001621441446 1193843094 /nfs/dbraw/zinc/84/30/94/1193843094.db2.gz FYQDSOUEROTUEX-UHFFFAOYSA-N 0 0 312.404 3.420 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccc2[nH]c(=O)oc2c1 ZINC001621463321 1193846693 /nfs/dbraw/zinc/84/66/93/1193846693.db2.gz UVGHZNHCYWHESN-MRVPVSSYSA-N 0 0 320.295 3.368 20 10 DGCDRN Cc1noc(Cc2ccc(NCc3cc(F)ccc3O)cc2)n1 ZINC001621545545 1193857165 /nfs/dbraw/zinc/85/71/65/1193857165.db2.gz AXHDMACOJGGJMJ-UHFFFAOYSA-N 0 0 313.332 3.426 20 10 DGCDRN Cn1cncc1C1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC001621569179 1193860115 /nfs/dbraw/zinc/86/01/15/1193860115.db2.gz KUZDEDYDBUSANL-UHFFFAOYSA-N 0 0 305.809 3.159 20 10 DGCDRN Cc1c2ccccc2c(=O)[nH]c1C(=O)N(C)Cc1ccccc1O ZINC001622312517 1193894797 /nfs/dbraw/zinc/89/47/97/1193894797.db2.gz OJSKDKLUURFEHU-UHFFFAOYSA-N 0 0 322.364 3.227 20 10 DGCDRN C/C(=C\C(=O)NCCc1ccc(O)c(O)c1)c1ccccc1C ZINC001622753332 1193911224 /nfs/dbraw/zinc/91/12/24/1193911224.db2.gz RCJHDFRZIRGNPG-SDNWHVSQSA-N 0 0 311.381 3.168 20 10 DGCDRN O=C(NCc1ccccc1O)C1(c2ccnc3ccccc32)CC1 ZINC001622773061 1193911428 /nfs/dbraw/zinc/91/14/28/1193911428.db2.gz UBWBZDGGMJWPLJ-UHFFFAOYSA-N 0 0 318.376 3.288 20 10 DGCDRN O=C(NCC1(c2ccccc2)CCCC1)c1cccc(O)c1O ZINC001623700013 1193945557 /nfs/dbraw/zinc/94/55/57/1193945557.db2.gz ZGHCLBJCAKKENT-UHFFFAOYSA-N 0 0 311.381 3.340 20 10 DGCDRN C[C@H]1CCC[C@H](C)N1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001623801187 1193965811 /nfs/dbraw/zinc/96/58/11/1193965811.db2.gz TWSIMXUMFCZCAM-UWVGGRQHSA-N 0 0 320.414 3.220 20 10 DGCDRN CCCC[C@@H](O)CCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC001624321667 1193992745 /nfs/dbraw/zinc/99/27/45/1193992745.db2.gz GHSOWGUGIDJHDJ-GOSISDBHSA-N 0 0 318.461 3.234 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H](O)C(C)(C)CC)cc1 ZINC001624541455 1194002381 /nfs/dbraw/zinc/00/23/81/1194002381.db2.gz QCMIDSBJSNHAGB-QGZVFWFLSA-N 0 0 320.477 3.288 20 10 DGCDRN Cc1[nH]nc(NC(=O)c2ccc(C)c(O)c2O)c1-c1ccccc1 ZINC001649199314 1194008052 /nfs/dbraw/zinc/00/80/52/1194008052.db2.gz UCRUIEOYFJZZEO-UHFFFAOYSA-N 0 0 323.352 3.357 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cnc3ccccn32)cc1 ZINC001625014597 1194026973 /nfs/dbraw/zinc/02/69/73/1194026973.db2.gz PWQCKFMASFUPPN-UHFFFAOYSA-N 0 0 322.412 3.111 20 10 DGCDRN C/C(Cl)=C/C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001625656373 1194062606 /nfs/dbraw/zinc/06/26/06/1194062606.db2.gz ADXKFMFYZRFZBK-KHPPLWFESA-N 0 0 312.760 3.477 20 10 DGCDRN O=C(NCCC1CC1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001625749270 1194067041 /nfs/dbraw/zinc/06/70/41/1194067041.db2.gz YRLVZGAHBDTBCM-UHFFFAOYSA-N 0 0 321.384 3.318 20 10 DGCDRN CSc1cc2c(cc1NC(=O)C1=CC(=O)CS1)OCCO2 ZINC001627306384 1194122283 /nfs/dbraw/zinc/12/22/83/1194122283.db2.gz OYHBXKCZNBJIIC-UHFFFAOYSA-N 0 0 323.395 3.199 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)NC/C=C/Cl)ccc21 ZINC001627375288 1194125344 /nfs/dbraw/zinc/12/53/44/1194125344.db2.gz ZCVOONYFGWPHOU-QPJJXVBHSA-N 0 0 320.820 3.387 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)Nc2cnoc2)cc1 ZINC001627760494 1194143614 /nfs/dbraw/zinc/14/36/14/1194143614.db2.gz AJXHKDQGKMJSEN-UHFFFAOYSA-N 0 0 323.352 3.076 20 10 DGCDRN Cc1cccc(N(C)C(=O)c2cccnc2-c2cnn(C)c2)c1 ZINC001627938161 1194150552 /nfs/dbraw/zinc/15/05/52/1194150552.db2.gz NEOODCOUDKRZAC-UHFFFAOYSA-N 0 0 306.369 3.067 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1nccc2occc21 ZINC001628680470 1194191274 /nfs/dbraw/zinc/19/12/74/1194191274.db2.gz KAHUWHQUNXFOAH-UHFFFAOYSA-N 0 0 302.717 3.117 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cnc2c(F)cccc2c1 ZINC001628828664 1194199078 /nfs/dbraw/zinc/19/90/78/1194199078.db2.gz FTBKPAYVHDPIKG-ALCCZGGFSA-N 0 0 324.311 3.437 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc2occc2c1 ZINC001628833546 1194199282 /nfs/dbraw/zinc/19/92/82/1194199282.db2.gz FKEXEKYBBSMUPV-UTCJRWHESA-N 0 0 309.321 3.174 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c(O)c1O ZINC001628946351 1194205122 /nfs/dbraw/zinc/20/51/22/1194205122.db2.gz YNUJKMREDADIRE-MELADBBJSA-N 0 0 303.402 3.495 20 10 DGCDRN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001629122864 1194214979 /nfs/dbraw/zinc/21/49/79/1194214979.db2.gz MDNBNUZJVYPZRY-JTQLQIEISA-N 0 0 321.323 3.138 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC[C@H]2C[C@@H]2C2CCCC2)cc1 ZINC001629377231 1194230221 /nfs/dbraw/zinc/23/02/21/1194230221.db2.gz UBUFAHYWIGQSEV-SJLPKXTDSA-N 0 0 315.461 3.378 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CCOc2c(F)cccc21 ZINC001629954878 1194261977 /nfs/dbraw/zinc/26/19/77/1194261977.db2.gz IAIPGUOEBXCQFE-CQSZACIVSA-N 0 0 315.344 3.056 20 10 DGCDRN CC[C@H](C)[C@H](O)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001629989654 1194263498 /nfs/dbraw/zinc/26/34/98/1194263498.db2.gz CLEHKYDGJZENAF-SCLBCKFNSA-N 0 0 314.429 3.231 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1cccc(C(F)(F)F)c1 ZINC001630301504 1194279523 /nfs/dbraw/zinc/27/95/23/1194279523.db2.gz CRURFWZREJEFSJ-UHFFFAOYSA-N 0 0 311.259 3.047 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N[C@H]3CCCC3(C)C)ccc21 ZINC001630355223 1194282458 /nfs/dbraw/zinc/28/24/58/1194282458.db2.gz QQVZBYJAVBZVBU-KRWDZBQOSA-N 0 0 315.461 3.447 20 10 DGCDRN CN(Cc1cc2ccccc2o1)C(=O)Cc1ccc(O)c(O)c1 ZINC001630733651 1194300188 /nfs/dbraw/zinc/30/01/88/1194300188.db2.gz IUKBKJMJMWYQEA-UHFFFAOYSA-N 0 0 311.337 3.045 20 10 DGCDRN CC[C@@H](C)Oc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001631058435 1194316789 /nfs/dbraw/zinc/31/67/89/1194316789.db2.gz VCLOLIZBWNSNRG-GFCCVEGCSA-N 0 0 315.369 3.456 20 10 DGCDRN CCCOc1ccc(NC(=O)c2cccc(O)c2O)cc1C ZINC001631093336 1194319556 /nfs/dbraw/zinc/31/95/56/1194319556.db2.gz FBUFMDUFHFGYJJ-UHFFFAOYSA-N 0 0 301.342 3.447 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](C)[C@@H](C)[C@H]1C ZINC001631505574 1194338365 /nfs/dbraw/zinc/33/83/65/1194338365.db2.gz GMVNCQOULUULPM-RRFJBIMHSA-N 0 0 303.450 3.247 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC(C)(C)F ZINC001631564509 1194342406 /nfs/dbraw/zinc/34/24/06/1194342406.db2.gz NGZYVFNUYSFBAK-UHFFFAOYSA-N 0 0 316.376 3.385 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CC3CCC2CC3)c(O)c1O ZINC001631862724 1194359269 /nfs/dbraw/zinc/35/92/69/1194359269.db2.gz KTGXVHYNRMLPBK-CLTVBZQCSA-N 0 0 303.402 3.351 20 10 DGCDRN CC(=O)Nc1ccc(C)c(C(=O)N[C@H](C)c2ccccc2O)c1 ZINC001632247144 1194379277 /nfs/dbraw/zinc/37/92/77/1194379277.db2.gz SCCRCKKNKYEOCF-GFCCVEGCSA-N 0 0 312.369 3.150 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cccc(C(F)(F)F)c2N)c1 ZINC001633282886 1194429775 /nfs/dbraw/zinc/42/97/75/1194429775.db2.gz OSKDJYPEFKAKQP-UHFFFAOYSA-N 0 0 324.302 3.232 20 10 DGCDRN CC(C)n1ccnc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001633315783 1194431765 /nfs/dbraw/zinc/43/17/65/1194431765.db2.gz WSKGABACYXZGSH-ZDUSSCGKSA-N 0 0 300.406 3.021 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(C)(C)c1ccccn1 ZINC001633339921 1194432542 /nfs/dbraw/zinc/43/25/42/1194432542.db2.gz AARQQYBDUKDXQR-UHFFFAOYSA-N 0 0 311.429 3.050 20 10 DGCDRN CC(C)[C@H](c1ccccc1)N(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001633355549 1194433488 /nfs/dbraw/zinc/43/34/88/1194433488.db2.gz HWFFUYIORPWBGL-LJQANCHMSA-N 0 0 313.397 3.496 20 10 DGCDRN CO[C@@]1(C)C[C@H]1NC(=O)c1sccc1-n1c(C)ccc1C ZINC001633603495 1194445135 /nfs/dbraw/zinc/44/51/35/1194445135.db2.gz DMZGZDBOKCXOOT-CJNGLKHVSA-N 0 0 304.415 3.063 20 10 DGCDRN CC(C)[C@@H](C(=O)NCc1cc(O)ccc1O)c1ccc(F)cc1 ZINC001633599284 1194445169 /nfs/dbraw/zinc/44/51/69/1194445169.db2.gz WGOFSNKHMBBRKR-QGZVFWFLSA-N 0 0 317.360 3.293 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ncccc2CO)cc1 ZINC001634608854 1194504653 /nfs/dbraw/zinc/50/46/53/1194504653.db2.gz LLGVQSMGYSXFFY-UHFFFAOYSA-N 0 0 321.380 3.234 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NCc2cc3ccccc3[nH]2)cc1 ZINC001635351596 1194546171 /nfs/dbraw/zinc/54/61/71/1194546171.db2.gz NIUGAJPAHZHWKL-UHFFFAOYSA-N 0 0 321.340 3.260 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cc(-c2ccccc2)no1 ZINC001635361003 1194546708 /nfs/dbraw/zinc/54/67/08/1194546708.db2.gz WEOHQYKNAMVRGG-UHFFFAOYSA-N 0 0 312.300 3.116 20 10 DGCDRN CC[C@H]1CCCC[C@@H]1OCC(=O)NCc1c(O)cccc1F ZINC001635361152 1194546737 /nfs/dbraw/zinc/54/67/37/1194546737.db2.gz YDANCAUJDKDJGP-LRDDRELGSA-N 0 0 309.381 3.133 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCc2coc3ccccc23)c1 ZINC001635531582 1194557118 /nfs/dbraw/zinc/55/71/18/1194557118.db2.gz LIGNAFGZLGHWFR-UHFFFAOYSA-N 0 0 310.353 3.446 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cnc2[nH]ccc2c1 ZINC001635662867 1194564855 /nfs/dbraw/zinc/56/48/55/1194564855.db2.gz FUPVCABTWOQXHQ-UHFFFAOYSA-N 0 0 309.369 3.273 20 10 DGCDRN O=C(Cc1ccc(O)cc1)NCc1c(O)ccc2ccccc21 ZINC001635965409 1194582550 /nfs/dbraw/zinc/58/25/50/1194582550.db2.gz ZCEKTKYGZJFONH-UHFFFAOYSA-N 0 0 307.349 3.110 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@@H]1C=CCC1 ZINC001636267984 1194602768 /nfs/dbraw/zinc/60/27/68/1194602768.db2.gz XBQVIHXAPLDFIF-JKSUJKDBSA-N 0 0 315.461 3.257 20 10 DGCDRN CN(C(=O)C1=CC(=O)CS1)[C@@H](c1ncc[nH]1)c1ccccc1 ZINC001636669451 1194627241 /nfs/dbraw/zinc/62/72/41/1194627241.db2.gz ZJZSXFGXZPYAHA-CQSZACIVSA-N 0 0 313.382 3.038 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1cccc(Cl)c1Cl ZINC001637036015 1194646841 /nfs/dbraw/zinc/64/68/41/1194646841.db2.gz ZQUADQXSPAQDRY-UHFFFAOYSA-N 0 0 312.152 3.335 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2[nH]nc(C)c2C)cc1 ZINC001637221556 1194657929 /nfs/dbraw/zinc/65/79/29/1194657929.db2.gz ZJXUKRNGWUKOMM-UHFFFAOYSA-N 0 0 322.412 3.364 20 10 DGCDRN C[C@H](Oc1ccccc1)C(=O)NCc1ccc2cccnc2c1O ZINC001638569828 1194724613 /nfs/dbraw/zinc/72/46/13/1194724613.db2.gz NLIWUJNSNYBPLS-ZDUSSCGKSA-N 0 0 322.364 3.024 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1ccc2ncsc2c1 ZINC001638858016 1194741570 /nfs/dbraw/zinc/74/15/70/1194741570.db2.gz CZTRXWARWUHFGW-UHFFFAOYSA-N 0 0 302.330 3.071 20 10 DGCDRN CCc1c[nH]c2ncnc(N(C)Cc3ccc(N(C)C)cc3)c12 ZINC001639188606 1194754583 /nfs/dbraw/zinc/75/45/83/1194754583.db2.gz HCXAJJNVDYNCAF-UHFFFAOYSA-N 0 0 309.417 3.223 20 10 DGCDRN O=C(C=Cc1ccc(O)c(O)c1)Nc1cc(-c2ccccc2)[nH]n1 ZINC001639293785 1194759035 /nfs/dbraw/zinc/75/90/35/1194759035.db2.gz HKUDHAKKBUMUTC-CLFYSBASSA-N 0 0 321.336 3.140 20 10 DGCDRN C/C(=C/c1ccccc1Cl)C(=O)NCc1c(O)cccc1O ZINC001639292622 1194759189 /nfs/dbraw/zinc/75/91/89/1194759189.db2.gz KRFJXRAQMOOKDG-LUAWRHEFSA-N 0 0 317.772 3.471 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1ccc(C(F)F)cc1F ZINC001639444437 1194766811 /nfs/dbraw/zinc/76/68/11/1194766811.db2.gz LPEDYOOAKIEGTK-UHFFFAOYSA-N 0 0 311.259 3.105 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)c1cc2ccccn2c1 ZINC001639621521 1194774191 /nfs/dbraw/zinc/77/41/91/1194774191.db2.gz IPNMHGXKPYUDEA-UHFFFAOYSA-N 0 0 317.348 3.123 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)c1ccc2c(c1)CCC2 ZINC001639621560 1194774316 /nfs/dbraw/zinc/77/43/16/1194774316.db2.gz KSMJSAPNNWRXKW-UHFFFAOYSA-N 0 0 318.376 3.359 20 10 DGCDRN CCC(C)(C)[C@H](O)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001639735242 1194779241 /nfs/dbraw/zinc/77/92/41/1194779241.db2.gz WHCZTFPYGQRYGB-QGZVFWFLSA-N 0 0 318.461 3.090 20 10 DGCDRN COc1ccc(N(C)CCN(C)c2ccsc2[N+](=O)[O-])cc1 ZINC001640116637 1194797179 /nfs/dbraw/zinc/79/71/79/1194797179.db2.gz NQSSBJKHWWUBKN-UHFFFAOYSA-N 0 0 321.402 3.238 20 10 DGCDRN COCc1csc(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC001640923889 1194832847 /nfs/dbraw/zinc/83/28/47/1194832847.db2.gz CCRLCDNGCQUHAY-UHFFFAOYSA-N 0 0 311.790 3.184 20 10 DGCDRN C[C@H]1CC(CNC(=O)/C=C\c2ccc(O)c(O)c2)C[C@@H](C)C1 ZINC001641082270 1194838637 /nfs/dbraw/zinc/83/86/37/1194838637.db2.gz HUWLIVGJGBWJEP-FPBWSKMOSA-N 0 0 303.402 3.300 20 10 DGCDRN COC(=O)c1cnc(SCc2cccc(C(C)=O)c2)s1 ZINC001641151944 1194841838 /nfs/dbraw/zinc/84/18/38/1194841838.db2.gz LEDBXWAMCJWSKG-UHFFFAOYSA-N 0 0 307.396 3.425 20 10 DGCDRN CO[C@@]1(C)C[C@H]1NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC001642009463 1194883541 /nfs/dbraw/zinc/88/35/41/1194883541.db2.gz WVTFPVSPGKQPLC-MJGOQNOKSA-N 0 0 312.413 3.310 20 10 DGCDRN COc1cc(N(C)Cc2cccs2)c([N+](=O)[O-])cc1OC ZINC001642043346 1194885474 /nfs/dbraw/zinc/88/54/74/1194885474.db2.gz PIOWRGLWFGRSNZ-UHFFFAOYSA-N 0 0 308.359 3.310 20 10 DGCDRN CC(=O)Nc1cc(C(=O)N[C@@H](C)c2ccccc2O)ccc1C ZINC001642827495 1194943274 /nfs/dbraw/zinc/94/32/74/1194943274.db2.gz JMFXYMYHFIBHDU-LBPRGKRZSA-N 0 0 312.369 3.150 20 10 DGCDRN Cc1cc(C)n2ccc(C(=O)N[C@@H](C)c3ccccc3O)c2n1 ZINC001642830927 1194944415 /nfs/dbraw/zinc/94/44/15/1194944415.db2.gz MGLDCTJSWSKBBZ-ZDUSSCGKSA-N 0 0 309.369 3.148 20 10 DGCDRN O=C(NCc1ccccc1CC(F)(F)F)C1=CC(=O)CS1 ZINC001643074493 1194965632 /nfs/dbraw/zinc/96/56/32/1194965632.db2.gz WOAFOVCVPGURJU-UHFFFAOYSA-N 0 0 315.316 3.489 20 10 DGCDRN O=C(CCOc1ccc(Cl)cc1)N1Cc2cccc(O)c2C1 ZINC001643170202 1195000315 /nfs/dbraw/zinc/00/03/15/1195000315.db2.gz YXANPJISYUENFZ-UHFFFAOYSA-N 0 0 317.772 3.357 20 10 DGCDRN C/C(=C\c1cccnc1)C(=O)NCc1ccc2cccnc2c1O ZINC001643284762 1195010779 /nfs/dbraw/zinc/01/07/79/1195010779.db2.gz KPAKCSLTYCJUBL-JLHYYAGUSA-N 0 0 319.364 3.055 20 10 DGCDRN Cc1cc(CNC(=O)c2cnco2)c(C)n1-c1cccc(C)c1 ZINC001643366931 1195018633 /nfs/dbraw/zinc/01/86/33/1195018633.db2.gz WKNVQFGCJYWHSN-UHFFFAOYSA-N 0 0 309.369 3.321 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2F)c(O)c1O ZINC001643473427 1195027773 /nfs/dbraw/zinc/02/77/73/1195027773.db2.gz QDCNIDPBMDLXLH-LSDHHAIUSA-N 0 0 315.344 3.162 20 10 DGCDRN C[C@@H](NC(=O)c1cccnc1C(F)(F)F)c1ccccc1O ZINC001643738860 1195050579 /nfs/dbraw/zinc/05/05/79/1195050579.db2.gz UMFWZDHVEJDETI-SECBINFHSA-N 0 0 310.275 3.297 20 10 DGCDRN C[C@H](NC(=O)Cc1cc(-c2ccccc2)on1)c1ccccc1O ZINC001643742139 1195051356 /nfs/dbraw/zinc/05/13/56/1195051356.db2.gz PZTFTSRBPWLSJP-ZDUSSCGKSA-N 0 0 322.364 3.467 20 10 DGCDRN C[C@@H](NC(=O)c1cc(-c2ccccc2)nn1C)c1ccccc1O ZINC001643741958 1195051751 /nfs/dbraw/zinc/05/17/51/1195051751.db2.gz HDIOQWQCOBMDJC-CYBMUJFWSA-N 0 0 321.380 3.284 20 10 DGCDRN O=C(Cc1c[nH]c2cc(F)ccc12)N1Cc2cccc(O)c2C1 ZINC001644088402 1195080638 /nfs/dbraw/zinc/08/06/38/1195080638.db2.gz SPWSIWBDGFRANH-UHFFFAOYSA-N 0 0 310.328 3.098 20 10 DGCDRN O=C(NCC(F)(F)c1ccc(F)cc1F)C1=CC(=O)CS1 ZINC001644177429 1195087493 /nfs/dbraw/zinc/08/74/93/1195087493.db2.gz LFIYIXITCPZUFE-UHFFFAOYSA-N 0 0 319.279 3.254 20 10 DGCDRN Cc1cc2[nH]c(C(=O)NCc3cccc(O)c3O)cc2c(C)c1 ZINC001644708747 1195129229 /nfs/dbraw/zinc/12/92/29/1195129229.db2.gz PMAJUVLYVQJUDM-UHFFFAOYSA-N 0 0 310.353 3.126 20 10 DGCDRN O=C(CCSc1ccc(F)cc1)NCc1cc(O)ccc1O ZINC001644752829 1195131784 /nfs/dbraw/zinc/13/17/84/1195131784.db2.gz WECWHWNTKODJHX-UHFFFAOYSA-N 0 0 321.373 3.036 20 10 DGCDRN CCc1c2ccccc2oc1C(=O)NCc1cc(O)ccc1O ZINC001644754449 1195132265 /nfs/dbraw/zinc/13/22/65/1195132265.db2.gz XHHFPNDKNXMKSH-UHFFFAOYSA-N 0 0 311.337 3.336 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2CCN(C)c1ccccc1 ZINC001645147941 1195161812 /nfs/dbraw/zinc/16/18/12/1195161812.db2.gz NROVAGFFNWTIQX-UHFFFAOYSA-N 0 0 311.429 3.088 20 10 DGCDRN Cc1cc(C(=O)Nn2cccn2)c(C)n1-c1cccc(Cl)c1 ZINC001645407826 1195181570 /nfs/dbraw/zinc/18/15/70/1195181570.db2.gz JJPAQRPPHUGRGD-UHFFFAOYSA-N 0 0 314.776 3.328 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cn2ccccc2n1 ZINC001645441192 1195184390 /nfs/dbraw/zinc/18/43/90/1195184390.db2.gz VVVDVMOQQWMUTD-UHFFFAOYSA-N 0 0 317.348 3.123 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1 ZINC001645800527 1195201649 /nfs/dbraw/zinc/20/16/49/1195201649.db2.gz HZMAIHSHKRGGOR-UHFFFAOYSA-N 0 0 320.732 3.192 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cc(F)cc3cccnc32)c1 ZINC001645800802 1195202199 /nfs/dbraw/zinc/20/21/99/1195202199.db2.gz URYBTPMQUMRVFL-UHFFFAOYSA-N 0 0 310.328 3.318 20 10 DGCDRN C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])Oc1ccc(F)cc1 ZINC001647029521 1195240640 /nfs/dbraw/zinc/24/06/40/1195240640.db2.gz FPMHBRJDKFEBMH-JTQLQIEISA-N 0 0 311.303 3.367 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1cc2c(s1)CCCCC2 ZINC001647177499 1195246557 /nfs/dbraw/zinc/24/65/57/1195246557.db2.gz BKVZMUWWIYCLIW-UHFFFAOYSA-N 0 0 317.410 3.358 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1noc2c1CCCC2 ZINC001647789045 1195253522 /nfs/dbraw/zinc/25/35/22/1195253522.db2.gz ZBJLBIXBNLTWFP-UHFFFAOYSA-N 0 0 322.364 3.342 20 10 DGCDRN COc1cccc(C(=O)NCc2c(O)ccc3ccccc32)c1O ZINC001647788754 1195253652 /nfs/dbraw/zinc/25/36/52/1195253652.db2.gz RDRQMEMIGDLECL-UHFFFAOYSA-N 0 0 323.348 3.190 20 10 DGCDRN COC(=O)[C@@H](N[C@H](C)c1ccccc1O)c1ccccc1F ZINC001648054476 1195274081 /nfs/dbraw/zinc/27/40/81/1195274081.db2.gz WQAXMUXXTQLPSP-BZNIZROVSA-N 0 0 303.333 3.096 20 10 DGCDRN O=C(C[C@H]1Cc2ccccc2O1)NCc1cccc(Cl)c1O ZINC001648609419 1195313343 /nfs/dbraw/zinc/31/33/43/1195313343.db2.gz XXCKJTHGBMJDTM-CYBMUJFWSA-N 0 0 317.772 3.056 20 10 DGCDRN CC[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])N1CCCC1 ZINC001648775586 1195330732 /nfs/dbraw/zinc/33/07/32/1195330732.db2.gz RXLVODXHHIWLOI-CYBMUJFWSA-N 0 0 300.805 3.149 20 10 DGCDRN O=C(c1ccccc1OC(F)(F)F)N1Cc2cccc(O)c2C1 ZINC001650674433 1195370420 /nfs/dbraw/zinc/37/04/20/1195370420.db2.gz CCIWIPBRHOCRRM-UHFFFAOYSA-N 0 0 323.270 3.447 20 10 DGCDRN C[S@](=O)[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001651646398 1195490759 /nfs/dbraw/zinc/49/07/59/1195490759.db2.gz KQUYEYVVDBXJHP-FDMGOTLNSA-N 0 0 322.257 3.088 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H]2C[C@H]2Cc2ccccc2)c1 ZINC001651691148 1195496758 /nfs/dbraw/zinc/49/67/58/1195496758.db2.gz OGGISCMWTVARKX-CABCVRRESA-N 0 0 312.369 3.269 20 10 DGCDRN COc1cc(C)c(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(O)c1 ZINC001651826126 1195514025 /nfs/dbraw/zinc/51/40/25/1195514025.db2.gz OTLNSTYDEZPENU-UHFFFAOYSA-N 0 0 316.357 3.249 20 10 DGCDRN Cc1noc(-c2ccc(C[NH2+]Cc3cccc(F)c3[O-])cc2)n1 ZINC001652124676 1195550194 /nfs/dbraw/zinc/55/01/94/1195550194.db2.gz YBCJDTRTEGTUEW-UHFFFAOYSA-N 0 0 313.332 3.180 20 10 DGCDRN COC(=O)c1coc(C(=O)CSc2ncc(Cl)s2)c1 ZINC001652126360 1195550852 /nfs/dbraw/zinc/55/08/52/1195550852.db2.gz CXAZSQFIEQVKMY-UHFFFAOYSA-N 0 0 317.775 3.151 20 10 DGCDRN Cc1cc(C(=O)COc2cncnc2)c(C)n1-c1cccc(C)c1 ZINC001652249415 1195569681 /nfs/dbraw/zinc/56/96/81/1195569681.db2.gz KVYZXIGUXYDSIV-UHFFFAOYSA-N 0 0 321.380 3.454 20 10 DGCDRN O=C(CCc1cccc(F)c1F)NCc1c(O)cccc1F ZINC001652295863 1195576459 /nfs/dbraw/zinc/57/64/59/1195576459.db2.gz TYHDKEHKHZZALU-UHFFFAOYSA-N 0 0 309.287 3.059 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@H]1CCc2cc(F)ccc21 ZINC001652298266 1195576773 /nfs/dbraw/zinc/57/67/73/1195576773.db2.gz HWXQYPQZPYPGPE-ZDUSSCGKSA-N 0 0 303.308 3.017 20 10 DGCDRN C[C@H](CC(=O)NCc1c(O)cccc1F)C(=O)c1ccccc1 ZINC001652297934 1195576845 /nfs/dbraw/zinc/57/68/45/1195576845.db2.gz CCCUAJDKBWOXAP-GFCCVEGCSA-N 0 0 315.344 3.057 20 10 DGCDRN CC[C@@H](Oc1ccccc1F)C(=O)NCc1c(O)cccc1F ZINC001652295699 1195577503 /nfs/dbraw/zinc/57/75/03/1195577503.db2.gz PSBBVLSSSBSAMB-OAHLLOKOSA-N 0 0 321.323 3.144 20 10 DGCDRN COc1cc(C)c(C[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C)c(O)c1 ZINC001652632285 1195630244 /nfs/dbraw/zinc/63/02/44/1195630244.db2.gz WVKGWYVFRJXXBN-ZDUSSCGKSA-N 0 0 323.433 3.119 20 10 DGCDRN Cc1ccc(CN(C)[C@H](c2nc[nH]n2)c2ccccc2)c(O)c1 ZINC001652632192 1195630468 /nfs/dbraw/zinc/63/04/68/1195630468.db2.gz VOZATWKJIQJTCS-KRWDZBQOSA-N 0 0 308.385 3.040 20 10 DGCDRN OC[C@@H]1Cc2ccccc2N1Cc1c(O)ccc(Cl)c1F ZINC001652737262 1195642977 /nfs/dbraw/zinc/64/29/77/1195642977.db2.gz RHAGLFRURLWYTC-NSHDSACASA-N 0 0 307.752 3.108 20 10 DGCDRN CCc1oc(CN(C)c2ccc(OC)cc2)cc1C(=O)OC ZINC001652773280 1195651305 /nfs/dbraw/zinc/65/13/05/1195651305.db2.gz IFVZXJYZNCJORN-UHFFFAOYSA-N 0 0 303.358 3.274 20 10 DGCDRN COc1nscc1CN(C)C/C=C/c1ccc(N(C)C)cc1 ZINC001653155742 1195692789 /nfs/dbraw/zinc/69/27/89/1195692789.db2.gz NGYXREPSKLPSEM-AATRIKPKSA-N 0 0 317.458 3.363 20 10 DGCDRN CCc1cccc(CN[C@@H](c2nccn2C)C(F)(F)F)c1O ZINC001653283558 1195706992 /nfs/dbraw/zinc/70/69/92/1195706992.db2.gz KNFBTMAVSHGUOS-ZDUSSCGKSA-N 0 0 313.323 3.081 20 10 DGCDRN CCOC(=O)C[N@H+](Cc1ccccc1O)CC12CCC(CC1)C2 ZINC001653969666 1195763930 /nfs/dbraw/zinc/76/39/30/1195763930.db2.gz GNQSWSCDEBDONO-UHFFFAOYSA-N 0 0 317.429 3.338 20 10 DGCDRN CCC[C@H](Cc1ccccc1)NC(=O)c1c(F)ccc(O)c1O ZINC001654285889 1195791093 /nfs/dbraw/zinc/79/10/93/1195791093.db2.gz DECSBTGXSQBOCP-CYBMUJFWSA-N 0 0 317.360 3.378 20 10 DGCDRN COc1ccc(N(CCO[C@H]2CCOC2)CCC(C)C)cc1 ZINC001654365490 1195797006 /nfs/dbraw/zinc/79/70/06/1195797006.db2.gz ZTFRPTKSNWFPBL-SFHVURJKSA-N 0 0 307.434 3.353 20 10 DGCDRN CCOc1ccc(N(CC2CC2)C[C@@H]2C[C@@H]3COC[C@H]3O2)cc1 ZINC001654518156 1195812412 /nfs/dbraw/zinc/81/24/12/1195812412.db2.gz HXPGHTSCZZVPJW-AYOQOUSVSA-N 0 0 317.429 3.106 20 10 DGCDRN O=C(N[C@@H]1CCCc2ccc(F)cc21)c1c(F)ccc(O)c1O ZINC001654543286 1195815536 /nfs/dbraw/zinc/81/55/36/1195815536.db2.gz PVESGQSHYFPBDL-CYBMUJFWSA-N 0 0 319.307 3.183 20 10 DGCDRN C[C@H](CCO)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001655157111 1195883875 /nfs/dbraw/zinc/88/38/75/1195883875.db2.gz OXSTXGTXWJETGB-GFCCVEGCSA-N 0 0 314.341 3.009 20 10 DGCDRN COc1cc(N(C)CCc2cccs2)c([N+](=O)[O-])cc1OC ZINC001655201929 1195890210 /nfs/dbraw/zinc/89/02/10/1195890210.db2.gz ADJLEUSELFHOGT-UHFFFAOYSA-N 0 0 322.386 3.352 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+]C2CCSCC2)c1 ZINC001655571613 1195934060 /nfs/dbraw/zinc/93/40/60/1195934060.db2.gz POKBGSZSGXFRNG-UHFFFAOYSA-N 0 0 316.264 3.448 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CCC=C(Cl)C2)c([N+](=O)[O-])c1 ZINC001655629615 1195942808 /nfs/dbraw/zinc/94/28/08/1195942808.db2.gz AYRNAUYZGVJODE-ALCCZGGFSA-N 0 0 322.748 3.114 20 10 DGCDRN CC(C)[C@H](CO)[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C(C)C ZINC001656291409 1196027256 /nfs/dbraw/zinc/02/72/56/1196027256.db2.gz DLXDRLDMQZDIRH-ZFWWWQNUSA-N 0 0 301.377 3.049 20 10 DGCDRN C[C@H]1CCC(F)(F)CN1Cc1ccc(N2CCOCC2)cc1 ZINC001656482489 1196043792 /nfs/dbraw/zinc/04/37/92/1196043792.db2.gz HRLWHBNVMHIREN-AWEZNQCLSA-N 0 0 310.388 3.143 20 10 DGCDRN Cc1ccc(S(=O)(=O)N2Cc3cccc(O)c3C2)c(Cl)c1 ZINC001656571436 1196051641 /nfs/dbraw/zinc/05/16/41/1196051641.db2.gz JLALIZVYVPZSRM-UHFFFAOYSA-N 0 0 323.801 3.059 20 10 DGCDRN C[C@@H]1Cc2ccccc2N1CC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001656980025 1196089237 /nfs/dbraw/zinc/08/92/37/1196089237.db2.gz BNRGHDBIMXFNPM-GFCCVEGCSA-N 0 0 318.367 3.211 20 10 DGCDRN CCOCc1cc(CNCc2cc(CC)no2)ccc1OC ZINC001657279005 1196126532 /nfs/dbraw/zinc/12/65/32/1196126532.db2.gz IKPUSWQUSYCBFU-UHFFFAOYSA-N 0 0 304.390 3.072 20 10 DGCDRN CCOCc1cc(CN[C@H](CC)c2noc(C)n2)ccc1OC ZINC001657376115 1196134371 /nfs/dbraw/zinc/13/43/71/1196134371.db2.gz CUCVUPQUIZZHMP-OAHLLOKOSA-N 0 0 319.405 3.164 20 10 DGCDRN CCCCO[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1(C)C ZINC001657377414 1196135841 /nfs/dbraw/zinc/13/58/41/1196135841.db2.gz ZYOKNAJDMBBKEV-HZPDHXFCSA-N 0 0 322.405 3.374 20 10 DGCDRN O=C(NC1CC1)c1cccc(NCc2cc(F)c(F)cc2O)c1 ZINC001657508767 1196149276 /nfs/dbraw/zinc/14/92/76/1196149276.db2.gz ZFBYRYURQFQKER-UHFFFAOYSA-N 0 0 318.323 3.175 20 10 DGCDRN CCN(C[C@@H]1CCC[C@@]2(CCOC2)O1)c1ccc(OC)cc1 ZINC001657657933 1196165660 /nfs/dbraw/zinc/16/56/60/1196165660.db2.gz WFGLOWQPEBRAOK-ROUUACIJSA-N 0 0 305.418 3.250 20 10 DGCDRN Oc1cc(Cl)ccc1CNc1cccc2c1OCC[C@@H]2O ZINC001657681706 1196169056 /nfs/dbraw/zinc/16/90/56/1196169056.db2.gz FTOCEPYUPCBARH-AWEZNQCLSA-N 0 0 305.761 3.474 20 10 DGCDRN COC(=O)COc1ccc(N(C)CCC(C)(C)SC)cc1 ZINC001657749364 1196174375 /nfs/dbraw/zinc/17/43/75/1196174375.db2.gz MNDSUQANKJZUQL-UHFFFAOYSA-N 0 0 311.447 3.206 20 10 DGCDRN Cc1cc(O)c(CNc2ccc(C(N)=O)c(C)c2)cc1Cl ZINC001657938611 1196195759 /nfs/dbraw/zinc/19/57/59/1196195759.db2.gz JLCVWPDAEZQCPU-UHFFFAOYSA-N 0 0 304.777 3.373 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNCc1cc(C2CC2)n(C)n1 ZINC001658058843 1196207778 /nfs/dbraw/zinc/20/77/78/1196207778.db2.gz CEELVNOUCTZHCZ-UHFFFAOYSA-N 0 0 308.429 3.387 20 10 DGCDRN [O-]c1c(F)cccc1C[NH2+]Cc1c(F)cccc1-n1cccn1 ZINC001658121101 1196213755 /nfs/dbraw/zinc/21/37/55/1196213755.db2.gz RUVSJMXHNYSJCM-UHFFFAOYSA-N 0 0 315.323 3.146 20 10 DGCDRN CC[C@@H]1CCC[N@@H+]1Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC001658219262 1196226653 /nfs/dbraw/zinc/22/66/53/1196226653.db2.gz VPZDYWFGZNWFQH-CYBMUJFWSA-N 0 0 318.392 3.478 20 10 DGCDRN CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)cc(F)c2[O-])C12CCC2 ZINC001658434742 1196256145 /nfs/dbraw/zinc/25/61/45/1196256145.db2.gz OBJFKXKPLGMNOB-CABCVRRESA-N 0 0 311.372 3.450 20 10 DGCDRN CO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(C(C)=O)c2[O-])C1(C)C ZINC001658693057 1196289584 /nfs/dbraw/zinc/28/95/84/1196289584.db2.gz JDDFDYLAPGHBIE-ZIAGYGMSSA-N 0 0 311.809 3.151 20 10 DGCDRN CCOC(=O)COc1cccc(NCc2cccc(F)c2O)c1 ZINC001658795913 1196302976 /nfs/dbraw/zinc/30/29/76/1196302976.db2.gz SZXDVKRDANSFOG-UHFFFAOYSA-N 0 0 319.332 3.085 20 10 DGCDRN CN(CCn1ccccc1=O)c1ccc(-c2nccs2)cc1 ZINC001658932022 1196321388 /nfs/dbraw/zinc/32/13/88/1196321388.db2.gz CWADMNJWSUPFFS-UHFFFAOYSA-N 0 0 311.410 3.108 20 10 DGCDRN Cn1nccc1[C@H]1CCCCN1Cc1cc(F)c(F)cc1O ZINC001659039970 1196335595 /nfs/dbraw/zinc/33/55/95/1196335595.db2.gz GKTPWDJPGGSMOW-OAHLLOKOSA-N 0 0 307.344 3.131 20 10 DGCDRN COc1cc(C)c(CNc2cccc(-c3nnco3)c2)c(O)c1 ZINC001659182472 1196356492 /nfs/dbraw/zinc/35/64/92/1196356492.db2.gz WGJVSQSFTYIHNF-UHFFFAOYSA-N 0 0 311.341 3.371 20 10 DGCDRN COC(=O)c1cc(NCc2cc(F)cc(F)c2O)ccc1C ZINC001659288144 1196367572 /nfs/dbraw/zinc/36/75/72/1196367572.db2.gz CWAWLTNJEJANRA-UHFFFAOYSA-N 0 0 307.296 3.378 20 10 DGCDRN [O-]c1c(F)c(F)ccc1C[NH2+]Cc1cc(F)cnc1Cl ZINC001659286243 1196368375 /nfs/dbraw/zinc/36/83/75/1196368375.db2.gz BRVUTMSLDKYOQW-UHFFFAOYSA-N 0 0 302.683 3.148 20 10 DGCDRN CN(C)c1cc(F)c(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1F ZINC001659373606 1196376239 /nfs/dbraw/zinc/37/62/39/1196376239.db2.gz SDWXUTVJCYOZGR-IAGOWNOFSA-N 0 0 324.415 3.420 20 10 DGCDRN CN(C)c1cc(F)c(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1F ZINC001659373605 1196376582 /nfs/dbraw/zinc/37/65/82/1196376582.db2.gz SDWXUTVJCYOZGR-DLBZAZTESA-N 0 0 324.415 3.420 20 10 DGCDRN COc1cc(C)c(CN(C)c2ccc3c(c2)OCO3)c(O)c1 ZINC001659400503 1196379688 /nfs/dbraw/zinc/37/96/88/1196379688.db2.gz MDQKBEYUDIHUEY-UHFFFAOYSA-N 0 0 301.342 3.074 20 10 DGCDRN Cc1nnsc1CN(C)Cc1ccc(N2CCCC2)cc1 ZINC001659719170 1196407694 /nfs/dbraw/zinc/40/76/94/1196407694.db2.gz DANIEIPRIRUWPV-UHFFFAOYSA-N 0 0 302.447 3.079 20 10 DGCDRN Cc1cccc2c1C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])CO2 ZINC001659711620 1196408183 /nfs/dbraw/zinc/40/81/83/1196408183.db2.gz WTRGGRNTTLZKKN-LBPRGKRZSA-N 0 0 305.324 3.072 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(F)c(F)cc1[O-])c1ccc2[nH]c(=O)oc2c1 ZINC001659766585 1196413197 /nfs/dbraw/zinc/41/31/97/1196413197.db2.gz MHCXFMJSHXRWGV-MRVPVSSYSA-N 0 0 320.295 3.368 20 10 DGCDRN [O-]c1c(C[NH2+]Cc2noc3cc(F)ccc23)ccc(F)c1F ZINC001659893445 1196426143 /nfs/dbraw/zinc/42/61/43/1196426143.db2.gz AWDAFFNTMGIFJY-UHFFFAOYSA-N 0 0 308.259 3.241 20 10 DGCDRN COC(=O)CCc1cccc(NCc2cc(F)c(F)cc2O)c1 ZINC001659915253 1196428871 /nfs/dbraw/zinc/42/88/71/1196428871.db2.gz MZKJIMYUJYOFDN-UHFFFAOYSA-N 0 0 321.323 3.388 20 10 DGCDRN CN(C)c1cc(F)c(CN2CCOC[C@@H]2C2CCC2)cc1F ZINC001660100822 1196444831 /nfs/dbraw/zinc/44/48/31/1196444831.db2.gz ZDUNSSXMEAUDMC-QGZVFWFLSA-N 0 0 310.388 3.032 20 10 DGCDRN CCOC(=O)CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])C(C)C ZINC001660144265 1196450812 /nfs/dbraw/zinc/45/08/12/1196450812.db2.gz DOFJKOSFTNLPCR-UHFFFAOYSA-N 0 0 317.788 3.348 20 10 DGCDRN Oc1cc(Cl)ccc1CNc1ccnn1[C@H]1CCCOC1 ZINC001660160054 1196453072 /nfs/dbraw/zinc/45/30/72/1196453072.db2.gz UIDWFFSNQCXNDW-ZDUSSCGKSA-N 0 0 307.781 3.206 20 10 DGCDRN CC(C)C1(O)CCN(Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC001660214634 1196458106 /nfs/dbraw/zinc/45/81/06/1196458106.db2.gz DLOVSOJXYIPETI-UHFFFAOYSA-N 0 0 312.404 3.014 20 10 DGCDRN O=c1[nH]c2cc(C[NH2+]Cc3cc(Cl)c(F)cc3[O-])ccc2o1 ZINC001660657940 1196509314 /nfs/dbraw/zinc/50/93/14/1196509314.db2.gz UKXHCMXOBNQMMO-UHFFFAOYSA-N 0 0 322.723 3.321 20 10 DGCDRN Cc1cccc(C)c1NC(=O)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001660842989 1196534007 /nfs/dbraw/zinc/53/40/07/1196534007.db2.gz WLDWWBAXBAXHAK-UHFFFAOYSA-N 0 0 320.339 3.016 20 10 DGCDRN C[C@H]1CCCN(CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001660915612 1196541866 /nfs/dbraw/zinc/54/18/66/1196541866.db2.gz IKIKSBPBCYRRRO-NSHDSACASA-N 0 0 300.805 3.006 20 10 DGCDRN Cc1nc(CNCc2ccc(N(C)C)c(F)c2)nc2ccccc12 ZINC001661248414 1196588914 /nfs/dbraw/zinc/58/89/14/1196588914.db2.gz LCHPFXMGSCCCOW-UHFFFAOYSA-N 0 0 324.403 3.433 20 10 DGCDRN C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001661421081 1196604223 /nfs/dbraw/zinc/60/42/23/1196604223.db2.gz SQWYDWLDAJYQDO-BZNIZROVSA-N 0 0 323.795 3.439 20 10 DGCDRN CCC1(CC)[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])[C@@H](C)[C@@H]1OC ZINC001662083585 1196679168 /nfs/dbraw/zinc/67/91/68/1196679168.db2.gz LVAUHFPGIWFWPK-LYRGGWFBSA-N 0 0 322.405 3.230 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC001662487738 1196725363 /nfs/dbraw/zinc/72/53/63/1196725363.db2.gz ACWOSCDBZVRQNG-UHFFFAOYSA-N 0 0 318.245 3.374 20 10 DGCDRN CCOC(OCC)[C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001663514193 1196891642 /nfs/dbraw/zinc/89/16/42/1196891642.db2.gz QICZDBMNFBBWFI-SECBINFHSA-N 0 0 305.777 3.062 20 10 DGCDRN COc1ccccc1CC[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC001663880673 1196953826 /nfs/dbraw/zinc/95/38/26/1196953826.db2.gz XIAXGNPYALTBIZ-UHFFFAOYSA-N 0 0 307.340 3.354 20 10 DGCDRN C[C@@H](NC(=O)Nc1c2c(ccc1F)OCO2)c1ccccc1O ZINC001664232376 1196982479 /nfs/dbraw/zinc/98/24/79/1196982479.db2.gz IYTBZEQSJOKPSW-SECBINFHSA-N 0 0 318.304 3.143 20 10 DGCDRN CC(C)CN1CCN(Cc2cc(C(C)C)ccc2O)[C@H](C)C1=O ZINC001664403057 1196994872 /nfs/dbraw/zinc/99/48/72/1196994872.db2.gz ASWMNSJICCDJCI-OAHLLOKOSA-N 0 0 318.461 3.204 20 10 DGCDRN [O-]c1c(F)cccc1C[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC001664772278 1197055026 /nfs/dbraw/zinc/05/50/26/1197055026.db2.gz XKTRGQYCZINWTB-UHFFFAOYSA-N 0 0 313.731 3.492 20 10 DGCDRN COC1CN(Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC001664945428 1197080533 /nfs/dbraw/zinc/08/05/33/1197080533.db2.gz ZCVOOAUXDACWJM-UHFFFAOYSA-N 0 0 302.443 3.215 20 10 DGCDRN C[C@H](NC(=O)NCCc1c[nH]c2ccccc12)c1ccccc1O ZINC001665619694 1197159454 /nfs/dbraw/zinc/15/94/54/1197159454.db2.gz BPAQBNXEIMQGQF-ZDUSSCGKSA-N 0 0 323.396 3.476 20 10 DGCDRN COc1ccc(NC(=O)NCc2c(O)cccc2F)cc1F ZINC001665989047 1197224678 /nfs/dbraw/zinc/22/46/78/1197224678.db2.gz SRPHPYMXTHBHQU-UHFFFAOYSA-N 0 0 308.284 3.001 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)Nc1cccc(Cl)n1 ZINC001669073181 1197439754 /nfs/dbraw/zinc/43/97/54/1197439754.db2.gz RNULDPUXJZDZIT-UHFFFAOYSA-N 0 0 312.156 3.416 20 10 DGCDRN COc1cccc(C)c1NC(=O)NCc1cc(C)ccc1O ZINC001669425975 1197454270 /nfs/dbraw/zinc/45/42/70/1197454270.db2.gz RROJVCCAMHHOFI-UHFFFAOYSA-N 0 0 300.358 3.339 20 10 DGCDRN CC[C@@H](NC(=O)NCc1ccc(N(C)C)cc1C)C(F)(F)F ZINC001673853050 1197698140 /nfs/dbraw/zinc/69/81/40/1197698140.db2.gz ZLQOQPPDAXJCLB-CYBMUJFWSA-N 0 0 317.355 3.201 20 10 DGCDRN CC(C)CCNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001674026509 1197724643 /nfs/dbraw/zinc/72/46/43/1197724643.db2.gz BQKAUHJHABYVND-UHFFFAOYSA-N 0 0 303.450 3.474 20 10 DGCDRN CC[C@@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(F)(F)F ZINC001675679152 1198116520 /nfs/dbraw/zinc/11/65/20/1198116520.db2.gz WBCBAVCKGRTBAH-GXFFZTMASA-N 0 0 317.355 3.454 20 10 DGCDRN C[C@@H](NC(=O)NCCc1c(F)cccc1F)c1ccccc1O ZINC001677034899 1198468221 /nfs/dbraw/zinc/46/82/21/1198468221.db2.gz YXKKJSDXLAKIQE-LLVKDONJSA-N 0 0 320.339 3.273 20 10 DGCDRN Cc1cccc([C@H](C)CNC(=O)NCc2c(O)cccc2F)c1 ZINC001679567447 1198806761 /nfs/dbraw/zinc/80/67/61/1198806761.db2.gz OFFQAVKYUNTNSB-CYBMUJFWSA-N 0 0 316.376 3.443 20 10 DGCDRN COc1ccc(NC(=O)NCc2c(O)cccc2F)c(F)c1 ZINC001679885118 1198834327 /nfs/dbraw/zinc/83/43/27/1198834327.db2.gz IWABOTQARFSZQJ-UHFFFAOYSA-N 0 0 308.284 3.001 20 10 DGCDRN C=C/C=C/CCNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001682100963 1199130034 /nfs/dbraw/zinc/13/00/34/1199130034.db2.gz IAXILGSKKCJYLE-WAVCKPEOSA-N 0 0 315.461 3.424 20 10 DGCDRN CC[C@@H](NC(=O)NCc1ccccc1O)c1ccccc1F ZINC001682329371 1199150389 /nfs/dbraw/zinc/15/03/89/1199150389.db2.gz MIQHTSHMTULIFN-OAHLLOKOSA-N 0 0 302.349 3.482 20 10 DGCDRN C[C@@H](NC(=O)N1Cc2cccc(O)c2C1)c1ccc(F)cc1F ZINC001685287085 1199461484 /nfs/dbraw/zinc/46/14/84/1199461484.db2.gz AJMQOMMCABDUER-SNVBAGLBSA-N 0 0 318.323 3.457 20 10 DGCDRN CC/C=C\CNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001686574021 1199573158 /nfs/dbraw/zinc/57/31/58/1199573158.db2.gz LWSUUBSRYLAGGN-ZPIQOJFGSA-N 0 0 303.450 3.257 20 10 DGCDRN CCOc1ccccc1NC[C@H](O)COc1ccc(C)cc1 ZINC000314608755 1199792023 /nfs/dbraw/zinc/79/20/23/1199792023.db2.gz UPAGBKVYQLKZDM-HNNXBMFYSA-N 0 0 301.386 3.246 20 10 DGCDRN CN(Cc1ccccc1O)c1nnc(C2CC2)n1Cc1ccoc1 ZINC001767112364 1199810090 /nfs/dbraw/zinc/81/00/90/1199810090.db2.gz ZCUHJRUHSAFCSX-UHFFFAOYSA-N 0 0 324.384 3.139 20 10 DGCDRN CCOc1cccc(CNc2ccc(C(=O)NC)cc2C)c1O ZINC000320057824 1199844069 /nfs/dbraw/zinc/84/40/69/1199844069.db2.gz UEDPNVVNDSAWGE-UHFFFAOYSA-N 0 0 314.385 3.071 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000244416907 1203612200 /nfs/dbraw/zinc/61/22/00/1203612200.db2.gz YRHPQVYSHHLOAE-UHFFFAOYSA-N 0 0 316.426 3.109 20 10 DGCDRN COc1ccc(CN2C[C@H](C)OC[C@@H]2c2ccccc2)c(O)c1 ZINC000245803176 1203693990 /nfs/dbraw/zinc/69/39/90/1203693990.db2.gz YCVIYPXRRZABEJ-KBXCAEBGSA-N 0 0 313.397 3.363 20 10 DGCDRN C[C@@H]1C[C@@H]1n1c(N(C)Cc2ccccc2O)nnc1C(C)(C)C ZINC001726494329 1204297722 /nfs/dbraw/zinc/29/77/22/1204297722.db2.gz FBJMEOGFGYCDOQ-OCCSQVGLSA-N 0 0 314.433 3.499 20 10 DGCDRN C[C@H]1CCc2nc(NC(=O)Cc3ccc(N)cc3)sc2C1 ZINC000262626648 1204328886 /nfs/dbraw/zinc/32/88/86/1204328886.db2.gz DRDWJIWIUPPRQC-JTQLQIEISA-N 0 0 301.415 3.031 20 10 DGCDRN Cc1cc([C@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)c(C)o1 ZINC000180715356 1204333237 /nfs/dbraw/zinc/33/32/37/1204333237.db2.gz DGPAWKHTPNBZKL-ZRQQLDRUSA-N 0 0 301.342 3.198 20 10 DGCDRN Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]C1CCC(C(=O)[O-])CC1 ZINC000316409342 967979900 /nfs/dbraw/zinc/97/99/00/967979900.db2.gz YXXSJHTVZWECIR-GFJIZPEISA-N 0 0 303.402 3.482 20 10 DGCDRN Cc1cc(O)c(C[NH2+][C@H](Cc2ccccc2)C(=O)[O-])cc1Cl ZINC001605216596 972961865 /nfs/dbraw/zinc/96/18/65/972961865.db2.gz GRWCXPWHNKAJPO-OAHLLOKOSA-N 0 0 319.788 3.140 20 10 DGCDRN CCN(C)c1ccc(C[N@H+](C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC001596194477 983577323 /nfs/dbraw/zinc/57/73/23/983577323.db2.gz NXYVAGKFCVXVTP-UHFFFAOYSA-N 0 0 312.413 3.473 20 10 DGCDRN CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](CC(=O)[O-])C2)cc1 ZINC001596194824 983577984 /nfs/dbraw/zinc/57/79/84/983577984.db2.gz SRIAVVNWBUEXNR-IJEWVQPXSA-N 0 0 304.434 3.437 20 10 DGCDRN CN(C)c1ccc(/C=C\C[NH2+][C@H](C(=O)[O-])c2ccccc2)cc1 ZINC001598314144 991292675 /nfs/dbraw/zinc/29/26/75/991292675.db2.gz CZJLEPFHZUZBRW-MJRGOJFPSA-N 0 0 310.397 3.181 20 10 DGCDRN CN(C)c1ccc(C[NH2+][C@@]2(C(=O)[O-])CCCC(C)(C)C2)cc1 ZINC001598320677 991318924 /nfs/dbraw/zinc/31/89/24/991318924.db2.gz MASGQQWCZBICHU-SFHVURJKSA-N 0 0 304.434 3.266 20 10 DGCDRN C[N@H+](Cc1c2ccccc2[nH]c1C(=O)[O-])Cc1ccccc1O ZINC001598530563 992775241 /nfs/dbraw/zinc/77/52/41/992775241.db2.gz LILKGHDJKPEEFN-UHFFFAOYSA-N 0 0 310.353 3.204 20 10 DGCDRN Cn1c2ccc(F)cc2c(C[N@H+](C)Cc2ccco2)c1C(=O)[O-] ZINC001598531971 992792925 /nfs/dbraw/zinc/79/29/25/992792925.db2.gz IDCDXIAVNNCPIO-UHFFFAOYSA-N 0 0 316.332 3.241 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ncc(C(=O)[O-])s1 ZINC001593198722 994174825 /nfs/dbraw/zinc/17/48/25/994174825.db2.gz UVHRBLDPVJEQPU-YUMQZZPRSA-N 0 0 310.350 3.098 20 10 DGCDRN C[C@@H]([NH2+][C@H](c1cccnc1)C1CC1)c1cc(C(=O)[O-])ccc1O ZINC001593208265 994222967 /nfs/dbraw/zinc/22/29/67/994222967.db2.gz AJEINNILGBRSTQ-DIFFPNOSSA-N 0 0 312.369 3.287 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCSC(C)(C)C1)c1cc(C(=O)[O-])ccc1O ZINC001593232918 994388256 /nfs/dbraw/zinc/38/82/56/994388256.db2.gz QAWGULMUHHHGGB-JQWIXIFHSA-N 0 0 309.431 3.415 20 10 DGCDRN C[C@@H]([NH2+]CC[C@@H]1CCC2(CCC2)O1)c1cc(C(=O)[O-])ccc1O ZINC001593265846 994575513 /nfs/dbraw/zinc/57/55/13/994575513.db2.gz YIVYMZUOOYFPOY-OCCSQVGLSA-N 0 0 319.401 3.233 20 10 DGCDRN COCCCC[N@H+](C)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC001599222125 997689450 /nfs/dbraw/zinc/68/94/50/997689450.db2.gz ARRHZNMOGHDYHK-UHFFFAOYSA-N 0 0 317.385 3.102 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[N@@H+](C)C2CCOCC2)c1 ZINC001236674103 1099737190 /nfs/dbraw/zinc/73/71/90/1099737190.db2.gz TXSUELXBLXCEES-UHFFFAOYSA-N 0 0 314.223 3.074 20 10 DGCDRN CN(Cc1cnn(C)c1)Cc1c(O)ccc(Cl)c1Cl ZINC001237078005 1099958772 /nfs/dbraw/zinc/95/87/72/1099958772.db2.gz MFHQCCXMCAUQIC-UHFFFAOYSA-N 0 0 300.189 3.065 20 10 DGCDRN COc1ccc(-c2ccnc(NCc3ccc(O)c(O)c3)n2)cc1 ZINC001169990884 1081794092 /nfs/dbraw/zinc/79/40/92/1081794092.db2.gz TYNOFODWILVSLH-UHFFFAOYSA-N 0 0 323.352 3.176 20 10 DGCDRN CN(Cc1cccc(O)c1)Cc1c(O)cccc1Br ZINC001140098920 1081837995 /nfs/dbraw/zinc/83/79/95/1081837995.db2.gz SPTGHVJKHPFYGK-UHFFFAOYSA-N 0 0 322.202 3.492 20 10 DGCDRN C[C@@H](NC(=O)COC/C=C\c1ccccc1)c1ccccc1O ZINC001648889800 1081953922 /nfs/dbraw/zinc/95/39/22/1081953922.db2.gz MTYBWCIBFXAIPZ-YYRKOSNBSA-N 0 0 311.381 3.299 20 10 DGCDRN Cc1nnc(-c2cccc(C(=O)N[C@@H](C)c3ccccc3O)c2)o1 ZINC001648892346 1081956154 /nfs/dbraw/zinc/95/61/54/1081956154.db2.gz WQXSCKYAJSIAMC-NSHDSACASA-N 0 0 323.352 3.242 20 10 DGCDRN CCN(CCc1ccccc1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403302 1082146809 /nfs/dbraw/zinc/14/68/09/1082146809.db2.gz DNEKITPPFJRGHM-LUAWRHEFSA-N 0 0 311.381 3.202 20 10 DGCDRN Cc1ccccc1C1(CNC(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000588404314 1082147571 /nfs/dbraw/zinc/14/75/71/1082147571.db2.gz KUTYCGKBOHPEIF-CLFYSBASSA-N 0 0 323.392 3.267 20 10 DGCDRN C[C@@H](c1ccc(F)cc1)N(C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403545 1082147622 /nfs/dbraw/zinc/14/76/22/1082147622.db2.gz LZMUWIGFKXUZPG-JOTVYFQTSA-N 0 0 315.344 3.470 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cc(F)c(F)c(F)c1 ZINC000588407353 1082155647 /nfs/dbraw/zinc/15/56/47/1082155647.db2.gz ZXRSDCRQSZCWND-RQOWECAXSA-N 0 0 309.243 3.167 20 10 DGCDRN CN1CCCc2cc(CNC(=O)/C=C\c3cccc(O)c3)ccc21 ZINC000588416298 1082187948 /nfs/dbraw/zinc/18/79/48/1082187948.db2.gz XQWWKZIBNNRWQT-NTMALXAHSA-N 0 0 322.408 3.104 20 10 DGCDRN C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001125534088 1082237139 /nfs/dbraw/zinc/23/71/39/1082237139.db2.gz BAAWTQPHJWCBDB-NGFQHRJXSA-N 0 0 304.409 3.190 20 10 DGCDRN C/C(=C/C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC000588432680 1082250043 /nfs/dbraw/zinc/25/00/43/1082250043.db2.gz WMXRPGZIVVLCJG-ZVHGMHCTSA-N 0 0 311.381 3.249 20 10 DGCDRN CO[C@@]1(C)C[C@H]([N@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])C1(C)C ZINC001167491013 1082287385 /nfs/dbraw/zinc/28/73/85/1082287385.db2.gz KJKUOQXQQGBWBY-YJBOKZPZSA-N 0 0 323.408 3.369 20 10 DGCDRN Cc1ccc(/C=C/c2ccc(N3C[C@H](O)C[C@@H]3CO)cc2)cc1 ZINC001170286907 1082341557 /nfs/dbraw/zinc/34/15/57/1082341557.db2.gz FIGNNHHFFXFOIZ-NHQAVIFJSA-N 0 0 309.409 3.097 20 10 DGCDRN O=C(CNc1cc(F)cc2cccnc21)c1ccc(O)c(O)c1 ZINC001170315442 1082345516 /nfs/dbraw/zinc/34/55/16/1082345516.db2.gz YVBBUHMSMRUBKT-UHFFFAOYSA-N 0 0 312.300 3.080 20 10 DGCDRN C[C@H]1CN(C(=O)/C=C\c2cncc(F)c2)c2cccc(F)c2O1 ZINC000588513002 1082522472 /nfs/dbraw/zinc/52/24/72/1082522472.db2.gz YOWCZKLZISCYBC-GZTOBOFZSA-N 0 0 316.307 3.187 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)c2ccnn2C)cc1 ZINC001132520758 1082928911 /nfs/dbraw/zinc/92/89/11/1082928911.db2.gz AMDOIFCUADCGMG-HNNXBMFYSA-N 0 0 322.412 3.319 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)C[C@H]1CCOC1 ZINC001180929153 1083370872 /nfs/dbraw/zinc/37/08/72/1083370872.db2.gz BOBYZYJFVQINPM-FZKQIMNGSA-N 0 0 317.429 3.175 20 10 DGCDRN NC(=O)N1CCc2ccc(NCc3ccc(Cl)cc3O)cc21 ZINC001181361167 1083454216 /nfs/dbraw/zinc/45/42/16/1083454216.db2.gz NAPWUAFKCDHKNN-UHFFFAOYSA-N 0 0 317.776 3.099 20 10 DGCDRN CCc1ccc2c(c1)CCN(C(=O)/C=C\c1ccc(O)c(O)c1)C2 ZINC001181488548 1083476540 /nfs/dbraw/zinc/47/65/40/1083476540.db2.gz UODBVUPEYMVOAV-YVMONPNESA-N 0 0 323.392 3.258 20 10 DGCDRN CN(C)c1ccc(/C=C/c2ccc(NC(=O)C3(O)CC3)cc2)cc1 ZINC001181528064 1083485123 /nfs/dbraw/zinc/48/51/23/1083485123.db2.gz LFXQCOODNGPBSU-ONEGZZNKSA-N 0 0 322.408 3.386 20 10 DGCDRN O=C([C@H]1C[C@@H]1c1ccccc1F)N1CCc2cccc(O)c2C1 ZINC001182283137 1083670034 /nfs/dbraw/zinc/67/00/34/1083670034.db2.gz BIBYMUGLEMUINI-CABCVRRESA-N 0 0 311.356 3.220 20 10 DGCDRN COc1cc(Br)cc(CN2CCC[C@@H]2CF)c1O ZINC001204340477 1083707828 /nfs/dbraw/zinc/70/78/28/1083707828.db2.gz SQBRIXIVACZCHW-LLVKDONJSA-N 0 0 318.186 3.097 20 10 DGCDRN C[N@H+](Cc1cc(F)c(F)cc1[O-])C[C@](C)(O)c1ccccc1 ZINC001182497777 1083734392 /nfs/dbraw/zinc/73/43/92/1083734392.db2.gz DRJWAKOJNQDPGC-KRWDZBQOSA-N 0 0 307.340 3.010 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@H](O)C(C)(C)C ZINC001182747406 1083795766 /nfs/dbraw/zinc/79/57/66/1083795766.db2.gz AMTIOPWEUJRSGV-HZPDHXFCSA-N 0 0 319.445 3.156 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)ccc(F)c1F ZINC001183363826 1083927359 /nfs/dbraw/zinc/92/73/59/1083927359.db2.gz NRHZPLXDUKMLOF-AWEZNQCLSA-N 0 0 323.314 3.463 20 10 DGCDRN Cc1cc(O)c(CN2CCN(C)c3ncccc3C2)c(Cl)c1 ZINC001183483561 1083956473 /nfs/dbraw/zinc/95/64/73/1083956473.db2.gz YTDVVPASLYRLSF-UHFFFAOYSA-N 0 0 317.820 3.201 20 10 DGCDRN COC(=O)C[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)C(C)(C)C ZINC001184012545 1084089312 /nfs/dbraw/zinc/08/93/12/1084089312.db2.gz NCWYIKBBMOYRMS-LBPRGKRZSA-N 0 0 317.788 3.252 20 10 DGCDRN COC[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccc(F)cc1 ZINC001184277679 1084148758 /nfs/dbraw/zinc/14/87/58/1084148758.db2.gz LRGJGVFSBRPVIZ-CQSZACIVSA-N 0 0 311.303 3.287 20 10 DGCDRN CC[C@@H](C)C(=O)C(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001184323416 1084158616 /nfs/dbraw/zinc/15/86/16/1084158616.db2.gz AQWGZBAILDTCAY-BMLIUANNSA-N 0 0 317.429 3.364 20 10 DGCDRN O=C(c1cc(C2CCC2)ccn1)N1CCc2cccc(O)c2C1 ZINC001185303463 1084409777 /nfs/dbraw/zinc/40/97/77/1084409777.db2.gz FLYKYCBNTQDXHH-UHFFFAOYSA-N 0 0 308.381 3.253 20 10 DGCDRN C[C@@H](NC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1O ZINC001185986189 1084559372 /nfs/dbraw/zinc/55/93/72/1084559372.db2.gz DUNZZIPUICRTTN-LLVKDONJSA-N 0 0 314.341 3.046 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(O)c(C(=O)NC[C@H]2C[C@H](F)C2)c1 ZINC001186849863 1084707660 /nfs/dbraw/zinc/70/76/60/1084707660.db2.gz RNLSACWWNUVPGU-HDJSIYSDSA-N 0 0 316.376 3.278 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(O)c(C(=O)Nc2ncccc2N)c1 ZINC001186828385 1084710100 /nfs/dbraw/zinc/71/01/00/1084710100.db2.gz AIIBOECFSSHCLZ-UHFFFAOYSA-N 0 0 322.368 3.029 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(O)c(C(=O)Nc2ncncc2C)c1 ZINC001186830674 1084711134 /nfs/dbraw/zinc/71/11/34/1084711134.db2.gz UIUPOLMMQUOESC-UHFFFAOYSA-N 0 0 322.368 3.150 20 10 DGCDRN Cc1cc(OC(C)C)ccc1N(CCO)c1ccc(N)cc1 ZINC001211813216 1084790490 /nfs/dbraw/zinc/79/04/90/1084790490.db2.gz XHVORHHXUAHRAO-UHFFFAOYSA-N 0 0 300.402 3.495 20 10 DGCDRN Cc1cc(Cl)cc(C[NH2+][C@H](Cc2ccccc2)C(=O)[O-])c1O ZINC001610462642 1126239300 /nfs/dbraw/zinc/23/93/00/1126239300.db2.gz PLDMLGDXDXYYFJ-OAHLLOKOSA-N 0 0 319.788 3.140 20 10 DGCDRN Oc1cc(O)c(CCNc2ccnc3c(F)cccc23)cc1O ZINC001168013623 1086254789 /nfs/dbraw/zinc/25/47/89/1086254789.db2.gz HXBJOGNIMZXZGC-UHFFFAOYSA-N 0 0 314.316 3.145 20 10 DGCDRN C[C@@H](Cc1ccccc1Cl)NC(=O)Cc1ccc(O)c(O)c1 ZINC001141749974 1086402107 /nfs/dbraw/zinc/40/21/07/1086402107.db2.gz BHDXXDRMXPTLTP-NSHDSACASA-N 0 0 319.788 3.041 20 10 DGCDRN CO[C@@H]1COCC[C@H]1Nc1ccc(-n2c(C)ccc2C)cc1 ZINC001168195110 1087044668 /nfs/dbraw/zinc/04/46/68/1087044668.db2.gz XZNXXZYRNBHEDU-QZTJIDSGSA-N 0 0 300.402 3.310 20 10 DGCDRN COc1ccc2c(c1)CCCCN2C[C@@H](O)Cc1ccccc1 ZINC001168243037 1087070116 /nfs/dbraw/zinc/07/01/16/1087070116.db2.gz AMFFTAGDCNTIDL-SFHVURJKSA-N 0 0 311.425 3.442 20 10 DGCDRN COc1cccc(CC[N@H+](C)Cc2cc(F)c(F)cc2[O-])c1 ZINC001142525100 1087277355 /nfs/dbraw/zinc/27/73/55/1087277355.db2.gz XIBQHIHBAVKHAQ-UHFFFAOYSA-N 0 0 307.340 3.354 20 10 DGCDRN CCOc1ccc(N2CC[NH+](C[C@@H]3CCC(C)(C)O3)CC2)cc1 ZINC001168331955 1087297873 /nfs/dbraw/zinc/29/78/73/1087297873.db2.gz SZJAWNYVKIBQBR-SFHVURJKSA-N 0 0 318.461 3.165 20 10 DGCDRN C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])N1CCc2ccccc21 ZINC001648999065 1087322802 /nfs/dbraw/zinc/32/28/02/1087322802.db2.gz KPCBJFVESMTHKP-LBPRGKRZSA-N 0 0 318.367 3.211 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)c1[nH]ccc1-c1ccccc1 ZINC001545669283 1087440414 /nfs/dbraw/zinc/44/04/14/1087440414.db2.gz SPCCUXUEAYIBCW-UHFFFAOYSA-N 0 0 322.364 3.065 20 10 DGCDRN CCCCCc1cc(C(=O)N[C@@H](C)c2ccccc2O)[nH]n1 ZINC001151900217 1087819736 /nfs/dbraw/zinc/81/97/36/1087819736.db2.gz LYWNLADLJLSDPA-LBPRGKRZSA-N 0 0 301.390 3.339 20 10 DGCDRN CCOc1ccc2cc(C(=O)N3Cc4cccc(O)c4C3)[nH]c2c1 ZINC001152566062 1088004326 /nfs/dbraw/zinc/00/43/26/1088004326.db2.gz SZHWTUKUASJXMG-UHFFFAOYSA-N 0 0 322.364 3.428 20 10 DGCDRN Oc1ccc(CNc2ncc3c(n2)-c2ccccc2CC3)cc1O ZINC001158997804 1088125582 /nfs/dbraw/zinc/12/55/82/1088125582.db2.gz OSISLAXTGPGEFN-UHFFFAOYSA-N 0 0 319.364 3.266 20 10 DGCDRN Oc1ccc(CNc2nncc3cc(Cl)ccc32)cc1O ZINC001158995484 1088125638 /nfs/dbraw/zinc/12/56/38/1088125638.db2.gz GLMLRLVAWUIQIV-UHFFFAOYSA-N 0 0 301.733 3.307 20 10 DGCDRN COc1ccc(-c2ccc(NCc3ccc(O)c(O)c3)nn2)cc1 ZINC001158997713 1088126934 /nfs/dbraw/zinc/12/69/34/1088126934.db2.gz NXKGVMAEBFHREO-UHFFFAOYSA-N 0 0 323.352 3.176 20 10 DGCDRN Oc1ccc(CNc2nc(C3CCC3)nc3[nH]ccc32)cc1O ZINC001159006286 1088135047 /nfs/dbraw/zinc/13/50/47/1088135047.db2.gz YSOLMUCOJLHTEE-UHFFFAOYSA-N 0 0 310.357 3.249 20 10 DGCDRN O=Cc1ccc(/C=C\C(=O)NCc2cccc(Cl)c2O)cc1 ZINC001159041289 1088155794 /nfs/dbraw/zinc/15/57/94/1088155794.db2.gz GZGQSNUBHNMOBP-HJWRWDBZSA-N 0 0 315.756 3.188 20 10 DGCDRN Cc1sc(Cl)nc1C(=O)NCc1cccc(Cl)c1O ZINC001159041716 1088156092 /nfs/dbraw/zinc/15/60/92/1088156092.db2.gz ZGRRHQRJOTZEMD-UHFFFAOYSA-N 0 0 317.197 3.394 20 10 DGCDRN O=C(CCc1ccc(C(F)F)cc1)NCc1cccc(O)c1O ZINC001153797570 1088362864 /nfs/dbraw/zinc/36/28/64/1088362864.db2.gz BMNLKHCJNZFNHD-UHFFFAOYSA-N 0 0 321.323 3.284 20 10 DGCDRN COC(=O)c1cc(NC(=O)C2=CC(=O)CS2)c(C)cc1C ZINC001154461869 1088615842 /nfs/dbraw/zinc/61/58/42/1088615842.db2.gz KZUPQXPKIGZFRT-UHFFFAOYSA-N 0 0 305.355 3.109 20 10 DGCDRN CCN(Cc1ccccc1O)c1ncc(C(=O)OC)cc1Cl ZINC001154882184 1088807577 /nfs/dbraw/zinc/80/75/77/1088807577.db2.gz SFURSQXKWRKYCN-UHFFFAOYSA-N 0 0 320.776 3.254 20 10 DGCDRN CCN(Cc1ccccc1O)c1nccc(N2CCCCC2)n1 ZINC001154888993 1088811598 /nfs/dbraw/zinc/81/15/98/1088811598.db2.gz NUCUBIAHQJBWNY-UHFFFAOYSA-N 0 0 312.417 3.199 20 10 DGCDRN CCN(Cc1ccccc1O)c1ncnc2cccc([N+](=O)[O-])c21 ZINC001154890838 1088814007 /nfs/dbraw/zinc/81/40/07/1088814007.db2.gz RNWHEFNZJACSPE-UHFFFAOYSA-N 0 0 324.340 3.270 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2cc(Cl)ccn2)cc1 ZINC001160699786 1088924409 /nfs/dbraw/zinc/92/44/09/1088924409.db2.gz HGBQVIZNPCAFSU-UHFFFAOYSA-N 0 0 303.709 3.150 20 10 DGCDRN Cc1ccc2[nH]cc(CN(C)C(=O)Cc3ccc(N)cc3)c2c1 ZINC001160726740 1088935216 /nfs/dbraw/zinc/93/52/16/1088935216.db2.gz RXHKGFMLQCWHGN-UHFFFAOYSA-N 0 0 307.397 3.260 20 10 DGCDRN CCN(CC)c1cc(NCc2c(C)cc(C)cc2O)ncn1 ZINC001160810964 1088974269 /nfs/dbraw/zinc/97/42/69/1088974269.db2.gz YCUNCFKMSGUMQD-UHFFFAOYSA-N 0 0 300.406 3.257 20 10 DGCDRN Cc1noc(-c2cccnc2NCc2c(C)cc(C)cc2O)n1 ZINC001160811083 1088977157 /nfs/dbraw/zinc/97/71/57/1088977157.db2.gz FCYNSIAKHUJHBY-UHFFFAOYSA-N 0 0 310.357 3.375 20 10 DGCDRN Cc1nc(Cl)nc(N2CCCc3cc(O)c(O)cc3C2)c1C ZINC001155933003 1089302141 /nfs/dbraw/zinc/30/21/41/1089302141.db2.gz GOJYYGBXJRGTSR-UHFFFAOYSA-N 0 0 319.792 3.111 20 10 DGCDRN Cc1cccc2c1ncnc2N1CCCc2cc(O)c(O)cc2C1 ZINC001155933113 1089303056 /nfs/dbraw/zinc/30/30/56/1089303056.db2.gz LKCZEFUQQMTOBJ-UHFFFAOYSA-N 0 0 321.380 3.302 20 10 DGCDRN Cc1nc(C)c(N2CCCc3cc(O)c(O)cc3C2)c(Cl)n1 ZINC001155941515 1089306767 /nfs/dbraw/zinc/30/67/67/1089306767.db2.gz QWRQVNLMUXWEIE-UHFFFAOYSA-N 0 0 319.792 3.111 20 10 DGCDRN Cc1ccc2oc(CNC(=O)c3c(F)ccc(O)c3O)cc2c1 ZINC001161646462 1089330878 /nfs/dbraw/zinc/33/08/78/1089330878.db2.gz RSLLKMQPFAAIHD-UHFFFAOYSA-N 0 0 315.300 3.222 20 10 DGCDRN C/C(=C\C(=O)NCc1c(O)cccc1F)c1cccc(F)c1 ZINC001156171237 1089416677 /nfs/dbraw/zinc/41/66/77/1089416677.db2.gz YOXHRFKJDCYAMG-DHZHZOJOSA-N 0 0 303.308 3.390 20 10 DGCDRN CCCC(=O)NCCC1=CCN(c2cc(C(C)C)ncn2)CC1 ZINC001089804436 1089523103 /nfs/dbraw/zinc/52/31/03/1089523103.db2.gz IHBLMQNQQRXTGD-UHFFFAOYSA-N 0 0 316.449 3.043 20 10 DGCDRN O=C(CCSc1ccccc1F)NCc1ccc(O)cc1O ZINC001162271961 1089651131 /nfs/dbraw/zinc/65/11/31/1089651131.db2.gz WXUKSWWYSHKJAA-UHFFFAOYSA-N 0 0 321.373 3.036 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1coc2ccc(Cl)cc12 ZINC001156885475 1089731462 /nfs/dbraw/zinc/73/14/62/1089731462.db2.gz GIHZHDNPIAKMFG-UHFFFAOYSA-N 0 0 317.728 3.427 20 10 DGCDRN CN(C)c1ccc(CN(C)c2ccc(-c3ccncc3)nn2)cc1 ZINC001156920439 1089743166 /nfs/dbraw/zinc/74/31/66/1089743166.db2.gz FJOOBYSDGAAMOZ-UHFFFAOYSA-N 0 0 319.412 3.241 20 10 DGCDRN CCOc1c(Cl)ncnc1N(C)Cc1ccc(N(C)C)cc1 ZINC001156920436 1089744446 /nfs/dbraw/zinc/74/44/46/1089744446.db2.gz FEXDUCDANVIINA-UHFFFAOYSA-N 0 0 320.824 3.231 20 10 DGCDRN CCSc1cncc(N(C)Cc2ccc(N(C)C)cc2)n1 ZINC001156921363 1089746162 /nfs/dbraw/zinc/74/61/62/1089746162.db2.gz YRZQPGXFZQNVEQ-UHFFFAOYSA-N 0 0 302.447 3.291 20 10 DGCDRN CC(C)COc1nccnc1N(C)Cc1ccc(N(C)C)cc1 ZINC001156927742 1089750446 /nfs/dbraw/zinc/75/04/46/1089750446.db2.gz JZDAWADSAOOJCK-UHFFFAOYSA-N 0 0 314.433 3.214 20 10 DGCDRN CN(C)c1ccc(CN(C)c2nccnc2OC2CCC2)cc1 ZINC001156929044 1089754793 /nfs/dbraw/zinc/75/47/93/1089754793.db2.gz WRQFCHKTWKUQGJ-UHFFFAOYSA-N 0 0 312.417 3.110 20 10 DGCDRN F[C@@H](NCc1ccc2c(c1)CCO2)Oc1cccc(Cl)n1 ZINC001156973745 1089770949 /nfs/dbraw/zinc/77/09/49/1089770949.db2.gz RVRCCUWNIRIEGL-HNNXBMFYSA-N 0 0 308.740 3.092 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC001157041809 1089796529 /nfs/dbraw/zinc/79/65/29/1089796529.db2.gz PAEDKLFWXFJBOM-UHFFFAOYSA-N 0 0 322.320 3.384 20 10 DGCDRN Cn1cc(C(=O)NCc2c(O)ccc3ccccc32)c(C2CC2)n1 ZINC001157041580 1089796573 /nfs/dbraw/zinc/79/65/73/1089796573.db2.gz JVEDAKMPBVWIQJ-UHFFFAOYSA-N 0 0 321.380 3.086 20 10 DGCDRN COC[C@H](C)[C@H](C)C(=O)NCc1c(O)ccc2ccccc21 ZINC001157041356 1089797371 /nfs/dbraw/zinc/79/73/71/1089797371.db2.gz FIVVHROBPWFLPO-STQMWFEESA-N 0 0 301.386 3.080 20 10 DGCDRN C[C@H](CC(=O)NCc1ccc2cccnc2c1O)n1cccc1 ZINC001162607078 1089823605 /nfs/dbraw/zinc/82/36/05/1089823605.db2.gz HMTYXIWHNKLCLK-CYBMUJFWSA-N 0 0 309.369 3.009 20 10 DGCDRN Cc1oc(C)c(C(=O)NCc2ccc3cccnc3c2O)c1C ZINC001162607228 1089823646 /nfs/dbraw/zinc/82/36/46/1089823646.db2.gz LHKPCLFGYYBISC-UHFFFAOYSA-N 0 0 310.353 3.389 20 10 DGCDRN COc1cc(O)c(CN2CC[C@](C)(F)[C@H](F)C2)c(Cl)c1 ZINC001236800084 1089909268 /nfs/dbraw/zinc/90/92/68/1089909268.db2.gz WROAASVGRUIXHC-KGLIPLIRSA-N 0 0 305.752 3.326 20 10 DGCDRN CC(C)c1noc(-c2ccnc(NCc3ccc(N)cc3)c2)n1 ZINC001162787994 1089957362 /nfs/dbraw/zinc/95/73/62/1089957362.db2.gz WIGUIQYTLRKFOI-UHFFFAOYSA-N 0 0 309.373 3.449 20 10 DGCDRN C[C@@H](c1ccccc1)n1cc(NC(=O)c2cccc(O)c2O)cn1 ZINC001162838815 1089985401 /nfs/dbraw/zinc/98/54/01/1089985401.db2.gz GDVMWNBLWYQKMA-LBPRGKRZSA-N 0 0 323.352 3.156 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1ncccc1Br ZINC001163031013 1090056966 /nfs/dbraw/zinc/05/69/66/1090056966.db2.gz LRNWSGGZKGDVDV-SECBINFHSA-N 0 0 323.190 3.298 20 10 DGCDRN CCCN(c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-])C(C)C ZINC001163605098 1090218620 /nfs/dbraw/zinc/21/86/20/1090218620.db2.gz HNHNOSTZMOVVQI-VQHVLOKHSA-N 0 0 306.362 3.406 20 10 DGCDRN COc1ccc(N(C)CCN(C)c2ncnc3ccccc32)cc1 ZINC001163656494 1090224563 /nfs/dbraw/zinc/22/45/63/1090224563.db2.gz HEULHWQWFFCFRC-UHFFFAOYSA-N 0 0 322.412 3.211 20 10 DGCDRN Cc1cccc(O[C@@H](C)C(=O)NCc2cc(Cl)ccc2O)c1 ZINC001165499264 1090525519 /nfs/dbraw/zinc/52/55/19/1090525519.db2.gz YLRKAHZDKJTKOY-LBPRGKRZSA-N 0 0 319.788 3.438 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H](C)C(=O)[C@H](C)C2)cc1 ZINC001165628927 1090534132 /nfs/dbraw/zinc/53/41/32/1090534132.db2.gz ASNRHFNWUBVTFC-ZIAGYGMSSA-N 0 0 324.424 3.391 20 10 DGCDRN Fc1ccc(C(F)(F)F)c(-c2noc(-c3csnn3)n2)c1 ZINC001212362700 1090576444 /nfs/dbraw/zinc/57/64/44/1090576444.db2.gz XJTSNQOJZOXMKF-UHFFFAOYSA-N 0 0 316.239 3.413 20 10 DGCDRN COc1cc(-c2noc(-c3nnsc3C)n2)ccc1Cl ZINC001212405402 1090626330 /nfs/dbraw/zinc/62/63/30/1090626330.db2.gz SBTUZOZVZDESES-UHFFFAOYSA-N 0 0 308.750 3.226 20 10 DGCDRN CCc1nccc(N2CCc3c(c4cc(OC)ccc4n3C)C2)n1 ZINC001166817892 1090661855 /nfs/dbraw/zinc/66/18/55/1090661855.db2.gz JRFOUYQSJLRTCO-UHFFFAOYSA-N 0 0 322.412 3.102 20 10 DGCDRN CCOc1ccc(N2CCN(Cc3ccc(C)o3)CC2)cc1 ZINC001203300661 1090715968 /nfs/dbraw/zinc/71/59/68/1090715968.db2.gz PUAPOWVZARPMMD-UHFFFAOYSA-N 0 0 300.402 3.309 20 10 DGCDRN Oc1ccccc1CN(Cc1cccnc1)Cc1cccnc1 ZINC001203556608 1090755436 /nfs/dbraw/zinc/75/54/36/1090755436.db2.gz RCYOFWMJGMIUGE-UHFFFAOYSA-N 0 0 305.381 3.385 20 10 DGCDRN CCOc1cccc(CN2CCC[C@@H](F)C(F)(F)C2)c1O ZINC001203602493 1090765202 /nfs/dbraw/zinc/76/52/02/1090765202.db2.gz ZTVLHTVUVXKNMG-CYBMUJFWSA-N 0 0 303.324 3.360 20 10 DGCDRN COc1ccc(CN2CCc3cc(F)c(F)cc3C2)c(O)c1 ZINC001203635400 1090770189 /nfs/dbraw/zinc/77/01/89/1090770189.db2.gz SLORUGPHDPWEBN-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc(Cl)ccc1O ZINC001203664856 1090775157 /nfs/dbraw/zinc/77/51/57/1090775157.db2.gz ZYWCKNBJEBMFEG-PJODQICGSA-N 0 0 323.820 3.209 20 10 DGCDRN Oc1ccc(Cl)cc1CN1CCOC[C@H]1Cc1ccccc1 ZINC001203664752 1090775262 /nfs/dbraw/zinc/77/52/62/1090775262.db2.gz UUSOMVLPIVUYIY-QGZVFWFLSA-N 0 0 317.816 3.489 20 10 DGCDRN CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)ccc2O)C1 ZINC001203665856 1090775309 /nfs/dbraw/zinc/77/53/09/1090775309.db2.gz YHKXCYHWAKYMAG-UHFFFAOYSA-N 0 0 312.797 3.056 20 10 DGCDRN Oc1ccc(Cl)cc1CN(Cc1cocn1)Cc1cocn1 ZINC001203664835 1090775716 /nfs/dbraw/zinc/77/57/16/1090775716.db2.gz YKFQDPCRUJNQQE-UHFFFAOYSA-N 0 0 319.748 3.224 20 10 DGCDRN C[C@@H](CC(N)=O)c1ccc(NCc2cc(F)cc(F)c2O)cc1 ZINC001203821548 1090813551 /nfs/dbraw/zinc/81/35/51/1090813551.db2.gz WMRFFDXFDZCKJY-JTQLQIEISA-N 0 0 320.339 3.261 20 10 DGCDRN COc1ccc(N2CCN(Cc3ccsc3)CC2)c(OC)c1 ZINC001204044624 1090881480 /nfs/dbraw/zinc/88/14/80/1090881480.db2.gz MQMOCIYBSJYVKD-UHFFFAOYSA-N 0 0 318.442 3.088 20 10 DGCDRN CCOc1ccc(N2CCN(Cc3cccc(C)n3)CC2)cc1 ZINC001204070052 1090890015 /nfs/dbraw/zinc/89/00/15/1090890015.db2.gz DYHJOIYLTXGHCZ-UHFFFAOYSA-N 0 0 311.429 3.111 20 10 DGCDRN CCc1ccc(CN2CCN(c3ccc(OC)cc3C)CC2)o1 ZINC001204394094 1090961679 /nfs/dbraw/zinc/96/16/79/1090961679.db2.gz JRGBRWXVRRZMLE-UHFFFAOYSA-N 0 0 314.429 3.481 20 10 DGCDRN COc1cc(C)ccc1C(=O)Nc1c2nonc2ccc1Cl ZINC001117507067 1091011915 /nfs/dbraw/zinc/01/19/15/1091011915.db2.gz AAHIIZYGOBCAFB-UHFFFAOYSA-N 0 0 317.732 3.446 20 10 DGCDRN COc1ccc(C(=O)Nc2c3nonc3ccc2Cl)c(F)c1 ZINC001128607490 1091071315 /nfs/dbraw/zinc/07/13/15/1091071315.db2.gz RZEOODQPXSWZOX-UHFFFAOYSA-N 0 0 321.695 3.276 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)c1nccc2occc21 ZINC001128604298 1091072053 /nfs/dbraw/zinc/07/20/53/1091072053.db2.gz UJDQUPIUIPQBEQ-UHFFFAOYSA-N 0 0 314.688 3.270 20 10 DGCDRN C/C(=C\c1ccncc1)C(=O)Nc1c2nonc2ccc1Cl ZINC001128704794 1091079481 /nfs/dbraw/zinc/07/94/81/1091079481.db2.gz YSZARLXRTPJTKE-CMDGGOBGSA-N 0 0 314.732 3.313 20 10 DGCDRN Oc1cccc(Nc2cnc(Cl)n2[C@@H]2CCCCO2)c1O ZINC001205048157 1091090953 /nfs/dbraw/zinc/09/09/53/1091090953.db2.gz JCFGPNPOUDMPNP-LBPRGKRZSA-N 0 0 309.753 3.390 20 10 DGCDRN O=C1CN(Cc2ccc(N3CCCCC3)cc2)CCC[C@@H]1F ZINC001138215424 1091118512 /nfs/dbraw/zinc/11/85/12/1091118512.db2.gz FGZVDMSOXVIWQP-KRWDZBQOSA-N 0 0 304.409 3.180 20 10 DGCDRN Cc1c(CN(C)Cc2nnc3ccccn32)c2ccccc2n1C ZINC001138252400 1091127016 /nfs/dbraw/zinc/12/70/16/1091127016.db2.gz FQAPOLPFCGLKPL-UHFFFAOYSA-N 0 0 319.412 3.161 20 10 DGCDRN Cc1noc(C)c1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001292167020 1091136112 /nfs/dbraw/zinc/13/61/12/1091136112.db2.gz CSYQJNWLTFEBLX-UHFFFAOYSA-N 0 0 304.327 3.170 20 10 DGCDRN Cc1cccc2ncc(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)n21 ZINC001138363734 1091153756 /nfs/dbraw/zinc/15/37/56/1091153756.db2.gz RCZWDICWQMYSLM-CQSZACIVSA-N 0 0 322.412 3.200 20 10 DGCDRN CC(C)Oc1ccc(F)cc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001292716195 1091175521 /nfs/dbraw/zinc/17/55/21/1091175521.db2.gz CIHXHQWECRACPN-UHFFFAOYSA-N 0 0 319.332 3.205 20 10 DGCDRN COc1cc(F)cc(OC)c1CN(C)c1ccc2c(c1)OCO2 ZINC001205353897 1091196447 /nfs/dbraw/zinc/19/64/47/1091196447.db2.gz PBAPKGONQGNHCI-UHFFFAOYSA-N 0 0 319.332 3.208 20 10 DGCDRN COc1ccccc1O[C@H]1CC[N@H+](Cc2c([O-])cccc2F)C1 ZINC001137837737 1091208329 /nfs/dbraw/zinc/20/83/29/1091208329.db2.gz SGNIGLHYLJCJNS-ZDUSSCGKSA-N 0 0 317.360 3.193 20 10 DGCDRN C[N@H+](CCCC(=O)c1cccnc1)Cc1c([O-])cccc1F ZINC001137838461 1091213898 /nfs/dbraw/zinc/21/38/98/1091213898.db2.gz APDXXXMBVJHOGT-UHFFFAOYSA-N 0 0 302.349 3.021 20 10 DGCDRN Cc1ccc2c(c1)nc(C[NH2+]Cc1ccc(F)c(F)c1[O-])n2C ZINC001205478157 1091231057 /nfs/dbraw/zinc/23/10/57/1091231057.db2.gz VVUFQQGFZZBEIH-UHFFFAOYSA-N 0 0 317.339 3.155 20 10 DGCDRN Nc1ccc(Cc2ccccc2Nc2cnn(C3COC3)c2)cc1 ZINC001205577736 1091263069 /nfs/dbraw/zinc/26/30/69/1091263069.db2.gz SYSSTXPKEWBYFI-UHFFFAOYSA-N 0 0 320.396 3.371 20 10 DGCDRN CCSc1ncc(C[N@H+](CC)Cc2ccccc2O)cn1 ZINC001138657267 1091277713 /nfs/dbraw/zinc/27/77/13/1091277713.db2.gz WWCRIEUOTQHQBG-UHFFFAOYSA-N 0 0 303.431 3.316 20 10 DGCDRN CN(C(N)=O)c1cccc(NCc2ccc(Cl)cc2O)c1 ZINC001205608328 1091277850 /nfs/dbraw/zinc/27/78/50/1091277850.db2.gz BTYHMLLEBBFUQC-UHFFFAOYSA-N 0 0 305.765 3.173 20 10 DGCDRN O=C(NCC(C1CC1)C1CC1)c1cc2cc(O)c(O)cc2s1 ZINC001294174887 1091355163 /nfs/dbraw/zinc/35/51/63/1091355163.db2.gz PLXNHSNVSHMXSS-UHFFFAOYSA-N 0 0 317.410 3.479 20 10 DGCDRN CN(c1ccc(N)cc1)c1ccc(C2(N3CCOCC3)CC2)cc1 ZINC001205824722 1091368389 /nfs/dbraw/zinc/36/83/89/1091368389.db2.gz LZSGHLFTXZWZKX-UHFFFAOYSA-N 0 0 323.440 3.358 20 10 DGCDRN Cc1ccccc1CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001294539592 1091411039 /nfs/dbraw/zinc/41/10/39/1091411039.db2.gz JFICOXHTOJMLGK-UHFFFAOYSA-N 0 0 310.357 3.130 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CC2CCC(CC2)C1 ZINC001139129610 1091459232 /nfs/dbraw/zinc/45/92/32/1091459232.db2.gz BEEMHXPLRGQEHA-UHFFFAOYSA-N 0 0 313.397 3.429 20 10 DGCDRN [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2O)CC[C@@H]1F ZINC001206201819 1091531971 /nfs/dbraw/zinc/53/19/71/1091531971.db2.gz YZWAOVUGQYUFLD-ZWKOTPCHSA-N 0 0 314.404 3.320 20 10 DGCDRN CC[C@H](C)C[C@@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)OC ZINC001206440447 1091631727 /nfs/dbraw/zinc/63/17/27/1091631727.db2.gz OREUFCKYERVTHE-YMQRJHMESA-N 0 0 318.461 3.333 20 10 DGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@H]1Cc1ccccn1 ZINC001139684447 1091641311 /nfs/dbraw/zinc/64/13/11/1091641311.db2.gz UYVRIOQXLMZUHP-ZDUSSCGKSA-N 0 0 304.340 3.273 20 10 DGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001139688863 1091643175 /nfs/dbraw/zinc/64/31/75/1091643175.db2.gz CAMOIBNTPRNNKO-CYBMUJFWSA-N 0 0 320.339 3.109 20 10 DGCDRN CCC(C)(C)[NH+]1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC001206483130 1091645256 /nfs/dbraw/zinc/64/52/56/1091645256.db2.gz BDZAGYOSCQYEKZ-UHFFFAOYSA-N 0 0 314.832 3.491 20 10 DGCDRN CCOc1ccc(N2CCN(Cc3cc(C)ccn3)CC2)cc1 ZINC001206853750 1091772414 /nfs/dbraw/zinc/77/24/14/1091772414.db2.gz ZLGQINTUYYEMTR-UHFFFAOYSA-N 0 0 311.429 3.111 20 10 DGCDRN C[C@@H](NC(=O)/C=C/c1ccc(C=O)cc1)c1ccc(N(C)C)cc1 ZINC001296650492 1091775848 /nfs/dbraw/zinc/77/58/48/1091775848.db2.gz VRKCLXRPFVDCFU-XETPBLJFSA-N 0 0 322.408 3.456 20 10 DGCDRN Cc1ccc(C)c(CN2[C@H](CO)CCC[C@H]2C(F)(F)F)c1O ZINC001140178654 1091792176 /nfs/dbraw/zinc/79/21/76/1091792176.db2.gz SQYFSLNNWOXODG-JSGCOSHPSA-N 0 0 317.351 3.287 20 10 DGCDRN OC1CCN(c2ccc(CN3CCCCC(F)(F)C3)cc2)CC1 ZINC001140283234 1091816071 /nfs/dbraw/zinc/81/60/71/1091816071.db2.gz PUYMPHWNKJZXHN-UHFFFAOYSA-N 0 0 324.415 3.269 20 10 DGCDRN Oc1cc(Cl)ccc1CN1CCOC[C@@H]1c1cccnc1 ZINC001140464608 1091875955 /nfs/dbraw/zinc/87/59/55/1091875955.db2.gz WUZCYXXMFAGTHS-OAHLLOKOSA-N 0 0 304.777 3.014 20 10 DGCDRN COC(=O)c1ccc2c(c1)CN(Cc1ccc(Cl)cc1O)C2 ZINC001140464669 1091876585 /nfs/dbraw/zinc/87/65/85/1091876585.db2.gz ZIHNSMCPLFKOPV-UHFFFAOYSA-N 0 0 317.772 3.348 20 10 DGCDRN COC(=O)CN(Cc1ccccc1)Cc1ccc(Cl)cc1O ZINC001140465234 1091877293 /nfs/dbraw/zinc/87/72/93/1091877293.db2.gz JDBLKQAYXDHBFI-UHFFFAOYSA-N 0 0 319.788 3.221 20 10 DGCDRN Cc1nc(C2CC[NH+](Cc3ccc(Cl)cc3O)CC2)no1 ZINC001140466210 1091879021 /nfs/dbraw/zinc/87/90/21/1091879021.db2.gz BFNGXWVCSVELKO-UHFFFAOYSA-N 0 0 307.781 3.117 20 10 DGCDRN [O-]c1cc(F)cc(F)c1CN1CCC([NH+]2CCCCC2)CC1 ZINC001140580047 1091918118 /nfs/dbraw/zinc/91/81/18/1091918118.db2.gz POTOIHZRLPGBQO-UHFFFAOYSA-N 0 0 310.388 3.121 20 10 DGCDRN CCC1(NC(=O)OC(C)(C)C)CN(Cc2cc(C)ccc2O)C1 ZINC001140623695 1091936955 /nfs/dbraw/zinc/93/69/55/1091936955.db2.gz QJROXAPVVBXNFQ-UHFFFAOYSA-N 0 0 320.433 3.190 20 10 DGCDRN C[C@H](NC(=O)Nc1cnc2ccccn12)c1ccc(N(C)C)cc1 ZINC001207486359 1091985031 /nfs/dbraw/zinc/98/50/31/1091985031.db2.gz QNSQXDPKAQLCIV-ZDUSSCGKSA-N 0 0 323.400 3.283 20 10 DGCDRN Cc1c[nH]c(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1C ZINC001140860704 1092034647 /nfs/dbraw/zinc/03/46/47/1092034647.db2.gz YALNYYDRTPGNMM-UHFFFAOYSA-N 0 0 313.445 3.100 20 10 DGCDRN COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140925779 1092065118 /nfs/dbraw/zinc/06/51/18/1092065118.db2.gz VODYAGDUGFQLND-OCCSQVGLSA-N 0 0 324.852 3.037 20 10 DGCDRN COc1c([O-])c(C[NH2+]C2(C)C(C)(C)C2(C)C)ccc1[N+](=O)[O-] ZINC001207735537 1092083890 /nfs/dbraw/zinc/08/38/90/1092083890.db2.gz JCFHQVKLYGXMQT-UHFFFAOYSA-N 0 0 308.378 3.223 20 10 DGCDRN CC(C)[C@H]1C[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CCO1 ZINC001141078067 1092130160 /nfs/dbraw/zinc/13/01/60/1092130160.db2.gz JJHTYEOEJIAABN-LJQANCHMSA-N 0 0 314.473 3.242 20 10 DGCDRN Cc1cc(CN(C)Cc2cc3c4c(c2)CCCN4CCC3)n(C)n1 ZINC001141075900 1092130242 /nfs/dbraw/zinc/13/02/42/1092130242.db2.gz FSIXMMQGODDBHZ-UHFFFAOYSA-N 0 0 324.472 3.059 20 10 DGCDRN c1cc2n(c1)CCN(Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141076184 1092130274 /nfs/dbraw/zinc/13/02/74/1092130274.db2.gz LZAJCIOGRITZAA-UHFFFAOYSA-N 0 0 307.441 3.203 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)Cc1cccnc1 ZINC001142149900 1092421239 /nfs/dbraw/zinc/42/12/39/1092421239.db2.gz QTAQFTMGIGZXIR-LJQANCHMSA-N 0 0 324.424 3.386 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)C1CCOCC1 ZINC001143024735 1092606023 /nfs/dbraw/zinc/60/60/23/1092606023.db2.gz KUACQOMRYQMVAH-QGZVFWFLSA-N 0 0 317.429 3.175 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(Nn2c(N)cc(C)cc2=O)cc1 ZINC001169304329 1092640993 /nfs/dbraw/zinc/64/09/93/1092640993.db2.gz XTXXBVTWVFUSIU-UHFFFAOYSA-N 0 0 308.385 3.022 20 10 DGCDRN COc1cccc(CNC(=O)/C=C/CCc2ccccc2)c1O ZINC001150543965 1092792023 /nfs/dbraw/zinc/79/20/23/1092792023.db2.gz VXKINXZBAJFEIL-AWNIVKPZSA-N 0 0 311.381 3.206 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(CN2CCC(=O)[C@H](F)C2)cc1 ZINC001209517260 1092805107 /nfs/dbraw/zinc/80/51/07/1092805107.db2.gz AWYHNMSUWIAKLI-QGZVFWFLSA-N 0 0 300.377 3.207 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(CN2CCn3ccnc3C2)cc1 ZINC001209516658 1092805841 /nfs/dbraw/zinc/80/58/41/1092805841.db2.gz LFOXWFSSBORQRU-UHFFFAOYSA-N 0 0 306.413 3.306 20 10 DGCDRN Cc1cc(CNC(=O)c2cn[nH]c2)c(C)n1-c1cccc(C)c1 ZINC001151152960 1092870599 /nfs/dbraw/zinc/87/05/99/1092870599.db2.gz GWTUICHKGIJCLP-UHFFFAOYSA-N 0 0 308.385 3.056 20 10 DGCDRN CCC[C@](C)(O)C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001151154669 1092870672 /nfs/dbraw/zinc/87/06/72/1092870672.db2.gz YWKUYHFLSJZNFP-IBGZPJMESA-N 0 0 314.429 3.261 20 10 DGCDRN COc1cc(OC)c(Nc2ccc3c(c2)OCCN3)cc1F ZINC001209766201 1092909788 /nfs/dbraw/zinc/90/97/88/1092909788.db2.gz IFXLSKQHIFEIGL-UHFFFAOYSA-N 0 0 304.321 3.391 20 10 DGCDRN COCCOc1cccc(F)c1Nc1ccc2c(c1)OCCN2 ZINC001209790245 1092923888 /nfs/dbraw/zinc/92/38/88/1092923888.db2.gz XHMOXJIIKGCGEZ-UHFFFAOYSA-N 0 0 318.348 3.399 20 10 DGCDRN COC(=O)[C@H]1CCc2cc(Nc3ccc4c(c3)OCCN4)ccc21 ZINC001209792278 1092926209 /nfs/dbraw/zinc/92/62/09/1092926209.db2.gz LOVBMXMKYTWNMM-INIZCTEOSA-N 0 0 324.380 3.437 20 10 DGCDRN Cn1ccc(Nc2ccc(Cl)cc2C(=O)c2ccccn2)n1 ZINC001210356647 1093136079 /nfs/dbraw/zinc/13/60/79/1093136079.db2.gz OZYPMHXRHCYSII-UHFFFAOYSA-N 0 0 312.760 3.443 20 10 DGCDRN Cc1cc(NC(=O)N[C@@H](C)c2ccccc2O)cc([N+](=O)[O-])c1 ZINC001210586478 1093218767 /nfs/dbraw/zinc/21/87/67/1093218767.db2.gz PYJNVRHKJUSJKZ-NSHDSACASA-N 0 0 315.329 3.492 20 10 DGCDRN Nc1ccnc(-c2cc(Nc3ccc(Cl)cc3O)ccn2)c1 ZINC001214402253 1093768317 /nfs/dbraw/zinc/76/83/17/1093768317.db2.gz NXKRYQIZISFDNP-UHFFFAOYSA-N 0 0 312.760 3.250 20 10 DGCDRN COc1cc(Cl)cc(-c2noc(-c3cccc(O)c3O)n2)c1 ZINC001215145907 1093926757 /nfs/dbraw/zinc/92/67/57/1093926757.db2.gz QJJOKCZPNBQGNZ-UHFFFAOYSA-N 0 0 318.716 3.477 20 10 DGCDRN COc1cc(-c2noc(-c3cccc(O)c3O)n2)ccc1Cl ZINC001215145979 1093927235 /nfs/dbraw/zinc/92/72/35/1093927235.db2.gz VJOPMUAXLHOQSK-UHFFFAOYSA-N 0 0 318.716 3.477 20 10 DGCDRN Cc1c2cccc(-c3noc(-c4ccc(O)c(O)c4)n3)c2nn1C ZINC001215304575 1093955863 /nfs/dbraw/zinc/95/58/63/1093955863.db2.gz SHRVZFQFKPXMIZ-UHFFFAOYSA-N 0 0 322.324 3.010 20 10 DGCDRN Oc1ccc(-c2nc(-c3cccc(C(F)(F)F)n3)no2)cc1O ZINC001215304796 1093955954 /nfs/dbraw/zinc/95/59/54/1093955954.db2.gz ZYWVFISZZCKGSY-UHFFFAOYSA-N 0 0 323.230 3.229 20 10 DGCDRN COc1ccc(Cl)c(-c2noc(-c3ccc(O)c(O)c3)n2)c1 ZINC001215304420 1093956095 /nfs/dbraw/zinc/95/60/95/1093956095.db2.gz NBPMJBMYBRNGGR-UHFFFAOYSA-N 0 0 318.716 3.477 20 10 DGCDRN Cc1c(Cl)cccc1-c1noc(-c2ccc(O)c(O)c2O)n1 ZINC001215325480 1093960272 /nfs/dbraw/zinc/96/02/72/1093960272.db2.gz WIXFSHVRZLWLDL-UHFFFAOYSA-N 0 0 318.716 3.482 20 10 DGCDRN Oc1ccc(-c2nc(-c3cccc4c3CCCC4)no2)c(O)c1O ZINC001215325458 1093960897 /nfs/dbraw/zinc/96/08/97/1093960897.db2.gz UUTHTYNKCMMISD-UHFFFAOYSA-N 0 0 324.336 3.399 20 10 DGCDRN Oc1ccc(-c2nc(-c3cc(Cl)ccc3F)no2)c(O)c1O ZINC001215325402 1093960908 /nfs/dbraw/zinc/96/09/08/1093960908.db2.gz QWZFTPKWSRVNIZ-UHFFFAOYSA-N 0 0 322.679 3.313 20 10 DGCDRN Oc1cc(-c2nc(-c3cc(Cl)ccc3F)no2)cc(O)c1O ZINC001215327653 1093961491 /nfs/dbraw/zinc/96/14/91/1093961491.db2.gz MOCDRUQGSLEZPD-UHFFFAOYSA-N 0 0 322.679 3.313 20 10 DGCDRN Oc1ccc(-c2nc(-c3cncc4ccccc43)no2)c(O)c1O ZINC001215327611 1093961639 /nfs/dbraw/zinc/96/16/39/1093961639.db2.gz KTAGDIOJNGXDRH-UHFFFAOYSA-N 0 0 321.292 3.069 20 10 DGCDRN CSc1ccc(N(c2ccc(N)cc2)S(C)(=O)=O)c(C)c1 ZINC001215476915 1093987995 /nfs/dbraw/zinc/98/79/95/1093987995.db2.gz ALLIAYQKSIPUMV-UHFFFAOYSA-N 0 0 322.455 3.397 20 10 DGCDRN CCOc1ccc(C)c(F)c1N(CCO)c1ccc(N)cc1 ZINC001215763023 1094051614 /nfs/dbraw/zinc/05/16/14/1094051614.db2.gz OJODGFUOIVNZAI-UHFFFAOYSA-N 0 0 304.365 3.245 20 10 DGCDRN Nc1ccc(Nc2ccc(CN3CCOCC3)c(Cl)c2)cc1 ZINC001216171488 1094138105 /nfs/dbraw/zinc/13/81/05/1094138105.db2.gz DDSRZGZEIVUFCJ-UHFFFAOYSA-N 0 0 317.820 3.498 20 10 DGCDRN O=C1c2ccccc2C(=O)c2cc(NC3=CCCOC3)ccc21 ZINC001216506218 1094210858 /nfs/dbraw/zinc/21/08/58/1094210858.db2.gz HGOJSUWKKVIYMI-UHFFFAOYSA-N 0 0 305.333 3.178 20 10 DGCDRN O=C(Nc1cccc(-c2cc[nH]n2)c1)N1Cc2cccc(O)c2C1 ZINC001216541046 1094215568 /nfs/dbraw/zinc/21/55/68/1094215568.db2.gz HTUWQKYFYQIFSE-UHFFFAOYSA-N 0 0 320.352 3.330 20 10 DGCDRN CC[C@H](C)[C@@H](NC(=O)NCc1c(O)cccc1F)C(F)(F)F ZINC001217096194 1094304990 /nfs/dbraw/zinc/30/49/90/1094304990.db2.gz OVZMKZAHGBJHLK-QPUJVOFHSA-N 0 0 322.302 3.308 20 10 DGCDRN CC[C@H](C)[C@H](NC(=O)NCc1c(O)cccc1F)C(F)(F)F ZINC001217096196 1094305017 /nfs/dbraw/zinc/30/50/17/1094305017.db2.gz OVZMKZAHGBJHLK-UFBFGSQYSA-N 0 0 322.302 3.308 20 10 DGCDRN Nc1ccc(Nc2cn3c(cccc3Br)n2)cc1 ZINC001159372010 1094384804 /nfs/dbraw/zinc/38/48/04/1094384804.db2.gz KZTIDJHZWQYAOV-UHFFFAOYSA-N 0 0 303.163 3.423 20 10 DGCDRN COc1ccccc1-c1noc(-c2cc3cc(O)c(O)cc3[nH]2)n1 ZINC001217471768 1094419050 /nfs/dbraw/zinc/41/90/50/1094419050.db2.gz UGVHQNNYSWZXKC-UHFFFAOYSA-N 0 0 323.308 3.305 20 10 DGCDRN Cc1cc(C)cc(C[C@H](C)NC(=O)NCc2ccc(N)cc2)c1 ZINC001120519716 1094447202 /nfs/dbraw/zinc/44/72/02/1094447202.db2.gz OHLTZARJSDROLD-HNNXBMFYSA-N 0 0 311.429 3.316 20 10 DGCDRN Cc1cccc(C)c1CN(C)C(=O)NCCc1ccc(N)cc1 ZINC001120629578 1094476708 /nfs/dbraw/zinc/47/67/08/1094476708.db2.gz HDRROSMWJKHSCC-UHFFFAOYSA-N 0 0 311.429 3.270 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cnn(CCC)c1C ZINC001120708733 1094498980 /nfs/dbraw/zinc/49/89/80/1094498980.db2.gz YPYZEJWYDQQDAJ-UHFFFAOYSA-N 0 0 315.417 3.360 20 10 DGCDRN CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)NCc1ccc(N)cc1 ZINC001336290788 1094617458 /nfs/dbraw/zinc/61/74/58/1094617458.db2.gz RQRFFWSMFWVCLR-LBPRGKRZSA-N 0 0 315.339 3.141 20 10 DGCDRN Cc1nnc2c(Sc3ncc(C(C)(C)C)s3)nccn12 ZINC001336542593 1094667968 /nfs/dbraw/zinc/66/79/68/1094667968.db2.gz HZRLXNRTXIAWLX-UHFFFAOYSA-N 0 0 305.432 3.338 20 10 DGCDRN CN(C)c1ccc(/N=N/c2ccccn2)c(OC2CC(O)C2)c1 ZINC001218259147 1094685077 /nfs/dbraw/zinc/68/50/77/1094685077.db2.gz DFLUTFRUWHUGJI-FMQUCBEESA-N 0 0 312.373 3.465 20 10 DGCDRN Cc1nn(C)c2cc(NC(=O)N[C@@H](C)c3ccccc3O)ccc12 ZINC001218331609 1094721290 /nfs/dbraw/zinc/72/12/90/1094721290.db2.gz AZHXQYAAZDFHHT-NSHDSACASA-N 0 0 324.384 3.470 20 10 DGCDRN CCS[C@H]1CCC[C@@H](NC(=O)NCc2ccc(N)cc2)C1 ZINC001336847787 1094759182 /nfs/dbraw/zinc/75/91/82/1094759182.db2.gz HWAQAYZFRDCRIH-CABCVRRESA-N 0 0 307.463 3.132 20 10 DGCDRN CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)NCc1ccc(N)cc1 ZINC001337018346 1094819236 /nfs/dbraw/zinc/81/92/36/1094819236.db2.gz KDDCLLPEEIOFLQ-JKSUJKDBSA-N 0 0 319.449 3.004 20 10 DGCDRN C[C@@](Cc1ccccc1)(NC(=O)NCc1ccc(N)cc1)C1CC1 ZINC001337019776 1094820094 /nfs/dbraw/zinc/82/00/94/1094820094.db2.gz UQSYIUADIMNLHR-FQEVSTJZSA-N 0 0 323.440 3.479 20 10 DGCDRN COc1ccc2ncc(NC(=O)Cc3ccc(N)cc3)cc2c1 ZINC001218628342 1094843239 /nfs/dbraw/zinc/84/32/39/1094843239.db2.gz FIPDCKSSYNTWGM-UHFFFAOYSA-N 0 0 307.353 3.007 20 10 DGCDRN CCc1ncoc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001337250646 1094909680 /nfs/dbraw/zinc/90/96/80/1094909680.db2.gz WNRAFWMKISCXGU-UHFFFAOYSA-N 0 0 313.401 3.157 20 10 DGCDRN CC1(C)C[C@H](COC(=O)/C=C/c2ccc(O)c(O)c2)C(C)(C)O1 ZINC001337308983 1094929877 /nfs/dbraw/zinc/92/98/77/1094929877.db2.gz GRYJNZQSXWSPME-STMXVASLSA-N 0 0 320.385 3.248 20 10 DGCDRN Cc1cnc(CNC(=O)c2cc3cc(O)c(O)cc3s2)s1 ZINC001136827033 1095185542 /nfs/dbraw/zinc/18/55/42/1095185542.db2.gz LDNRXKYGRVSASL-UHFFFAOYSA-N 0 0 320.395 3.007 20 10 DGCDRN O=C(NCCc1cccs1)NCc1cc(Cl)ccc1O ZINC001221103336 1095201188 /nfs/dbraw/zinc/20/11/88/1095201188.db2.gz RWKLQNJSAGUWDS-UHFFFAOYSA-N 0 0 310.806 3.149 20 10 DGCDRN CC(C)Nc1cc(F)ccc1NC(=O)c1cccc(O)c1O ZINC001136875243 1095211696 /nfs/dbraw/zinc/21/16/96/1095211696.db2.gz YZCBKFLZAMWVQW-UHFFFAOYSA-N 0 0 304.321 3.310 20 10 DGCDRN C[C@@H](NC(=O)NCCc1ccc(F)cc1F)c1ccccc1O ZINC001221922786 1095387599 /nfs/dbraw/zinc/38/75/99/1095387599.db2.gz WPCCLFSFJFPKPI-LLVKDONJSA-N 0 0 320.339 3.273 20 10 DGCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC2CC2)cc1 ZINC001115881567 1095411778 /nfs/dbraw/zinc/41/17/78/1095411778.db2.gz XWWTZFUVRUDHSV-UHFFFAOYSA-N 0 0 313.401 3.220 20 10 DGCDRN C[C@@H](c1nnc(N(C)Cc2ccccc2O)n1C)C1CCC1 ZINC001338884257 1095424496 /nfs/dbraw/zinc/42/44/96/1095424496.db2.gz XECGTGRJNUFJLU-GFCCVEGCSA-N 0 0 300.406 3.061 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)CC(C2CC2)C2CC2)c1 ZINC001115990061 1095431808 /nfs/dbraw/zinc/43/18/08/1095431808.db2.gz OOBHDVYLOCFJMZ-LLVKDONJSA-N 0 0 303.402 3.404 20 10 DGCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2C[C@@H]2F)cc1 ZINC001123826317 1095448814 /nfs/dbraw/zinc/44/88/14/1095448814.db2.gz PIDRCQZINHDUOW-OLZOCXBDSA-N 0 0 318.314 3.002 20 10 DGCDRN CC[C@H](C)n1nccc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001338971588 1095453186 /nfs/dbraw/zinc/45/31/86/1095453186.db2.gz UGEIQRIWDJAAES-UONOGXRCSA-N 0 0 314.433 3.411 20 10 DGCDRN CCc1cccc(NC(=O)CN(C)c2ccc(OC)c(F)c2)c1 ZINC001116254841 1095495985 /nfs/dbraw/zinc/49/59/85/1095495985.db2.gz GLAFLUCDBKWVAY-UHFFFAOYSA-N 0 0 316.376 3.472 20 10 DGCDRN CCC(CC)(C(=O)NCc1cccc(O)c1O)c1ccccc1 ZINC001123978990 1095503532 /nfs/dbraw/zinc/50/35/32/1095503532.db2.gz YZIDWQAXCUVPNP-UHFFFAOYSA-N 0 0 313.397 3.472 20 10 DGCDRN CCN1CCN(C(=O)/C=C/c2cncc(C)c2)c2ccccc21 ZINC001116325837 1095517275 /nfs/dbraw/zinc/51/72/75/1095517275.db2.gz JNBUYBMJUNKNPH-CMDGGOBGSA-N 0 0 307.397 3.276 20 10 DGCDRN COCC[N@H+](Cc1cc(Br)c(F)cc1[O-])C(C)C ZINC001144300134 1095592636 /nfs/dbraw/zinc/59/26/36/1095592636.db2.gz UOPVGNHZNNYRIG-UHFFFAOYSA-N 0 0 320.202 3.151 20 10 DGCDRN CC(C)c1ncc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)[nH]1 ZINC001116660984 1095627278 /nfs/dbraw/zinc/62/72/78/1095627278.db2.gz GSLPNQWQFLBUOR-LBPRGKRZSA-N 0 0 300.406 3.090 20 10 DGCDRN Oc1ccc(Br)cc1CNc1nccc(Cl)n1 ZINC001171176023 1095648935 /nfs/dbraw/zinc/64/89/35/1095648935.db2.gz IRXSQBPXEQLQSS-UHFFFAOYSA-N 0 0 314.570 3.210 20 10 DGCDRN Cc1ncc(NCc2cc(Br)ccc2O)nc1C ZINC001171178380 1095649886 /nfs/dbraw/zinc/64/98/86/1095649886.db2.gz XXSRNYUIASNHKQ-UHFFFAOYSA-N 0 0 308.179 3.174 20 10 DGCDRN C[C@H](c1ccccc1)N(C)c1nnc(C2SC=CC2=O)n1C ZINC001339574284 1095662505 /nfs/dbraw/zinc/66/25/05/1095662505.db2.gz TXFAJSLHSRXDGA-LLVKDONJSA-N 0 0 314.414 3.447 20 10 DGCDRN CCn1c(C(=O)NCc2ccc(OC)cc2O)cc2ccccc21 ZINC001339652564 1095688616 /nfs/dbraw/zinc/68/86/16/1095688616.db2.gz NUZOJHKVYWAPJU-UHFFFAOYSA-N 0 0 324.380 3.305 20 10 DGCDRN Cc1ncc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C2CC2)n1 ZINC001116897703 1095695365 /nfs/dbraw/zinc/69/53/65/1095695365.db2.gz PTLUNLKYQXSCKW-GFCCVEGCSA-N 0 0 324.428 3.219 20 10 DGCDRN Cc1ccc2[nH]c(CNC(=O)N[C@@H](C)c3ccccc3O)nc2c1 ZINC001222664019 1095712031 /nfs/dbraw/zinc/71/20/31/1095712031.db2.gz UVDIZXQLDUHLDF-LBPRGKRZSA-N 0 0 324.384 3.137 20 10 DGCDRN CCOC(=O)C1(CC)CC[NH+](Cc2c([O-])cccc2F)CC1 ZINC001137840219 1095757796 /nfs/dbraw/zinc/75/77/96/1095757796.db2.gz TWARUKIKMVUVCP-UHFFFAOYSA-N 0 0 309.381 3.087 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1cc(F)c(O)cc1F)CCC2 ZINC001144659996 1095761068 /nfs/dbraw/zinc/76/10/68/1095761068.db2.gz TXUJFUGWKFMJOL-UHFFFAOYSA-N 0 0 321.323 3.030 20 10 DGCDRN CN(C)c1ccc(/C=C\CNc2ccc(CCC(N)=O)cc2)cc1 ZINC001117782626 1095853549 /nfs/dbraw/zinc/85/35/49/1095853549.db2.gz MSAVRRGZPNEAKM-ARJAWSKDSA-N 0 0 323.440 3.296 20 10 DGCDRN CC(C)(C)OC(=O)C[C@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001138129738 1095898083 /nfs/dbraw/zinc/89/80/83/1095898083.db2.gz UHPRMLFBKSYEJV-GFCCVEGCSA-N 0 0 309.381 3.085 20 10 DGCDRN CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+]1Cc1cccc(F)c1[O-] ZINC001138129718 1095899186 /nfs/dbraw/zinc/89/91/86/1095899186.db2.gz SJIBUDNNLWRIRT-CYBMUJFWSA-N 0 0 309.381 3.228 20 10 DGCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H](Oc2cc(F)ccc2F)C1 ZINC001138127688 1095899995 /nfs/dbraw/zinc/89/99/95/1095899995.db2.gz MKFRRULKSGPQTP-CYBMUJFWSA-N 0 0 323.314 3.463 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCC[C@@H](F)C2)cc1 ZINC001118334214 1095983167 /nfs/dbraw/zinc/98/31/67/1095983167.db2.gz VEVFKKGFVLGOKH-HUUCEWRRSA-N 0 0 322.424 3.118 20 10 DGCDRN CC[C@](C)(NC(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1 ZINC001118593578 1096044401 /nfs/dbraw/zinc/04/44/01/1096044401.db2.gz SWZLAKXNKSMSLO-KRWDZBQOSA-N 0 0 307.413 3.270 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)[C@H]3CCC3(C)C)CC2)cc1 ZINC001118690039 1096054393 /nfs/dbraw/zinc/05/43/93/1096054393.db2.gz QPPCBVWMPIWYPA-QGZVFWFLSA-N 0 0 316.445 3.170 20 10 DGCDRN O=C(Nc1cccc(N2CCCC2)c1)c1ccc(F)c(O)c1 ZINC001626162730 1096067876 /nfs/dbraw/zinc/06/78/76/1096067876.db2.gz YWSOTMZFOGTFEE-UHFFFAOYSA-N 0 0 300.333 3.384 20 10 DGCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)c1cscn1 ZINC001147360076 1096208821 /nfs/dbraw/zinc/20/88/21/1096208821.db2.gz COPCSJWWAZKUAK-TUDUWKQNSA-N 0 0 324.369 3.110 20 10 DGCDRN O=C(Nc1ccc(Cl)c2nsnc21)c1cccc(O)c1O ZINC001148218878 1096327936 /nfs/dbraw/zinc/32/79/36/1096327936.db2.gz LRWDXDOUDUEIAH-UHFFFAOYSA-N 0 0 321.745 3.008 20 10 DGCDRN CO[C@@]1(C)C[C@H]1NC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001148473984 1096373897 /nfs/dbraw/zinc/37/38/97/1096373897.db2.gz QSGRNQJPGGERNE-MJGOQNOKSA-N 0 0 312.413 3.310 20 10 DGCDRN CCOC(=O)c1cnc(NCc2cc3ccccc3cc2O)nc1 ZINC001171399888 1096658250 /nfs/dbraw/zinc/65/82/50/1096658250.db2.gz OZMRQQMHXRNPLP-UHFFFAOYSA-N 0 0 323.352 3.124 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC=CC12CCCC2 ZINC001227357137 1096920782 /nfs/dbraw/zinc/92/07/82/1096920782.db2.gz UNVIUOWENCEWBR-UHFFFAOYSA-N 0 0 313.445 3.455 20 10 DGCDRN C[C@@H](NC(=O)[C@@H](C)Oc1ccc(F)c(F)c1)c1ccccc1O ZINC001171723184 1096954864 /nfs/dbraw/zinc/95/48/64/1096954864.db2.gz NNETYRORSJLSNZ-GHMZBOCLSA-N 0 0 321.323 3.315 20 10 DGCDRN C[C@H](NC(=O)c1ccccc1-c1cn[nH]c1)c1ccccc1O ZINC001171730617 1096956864 /nfs/dbraw/zinc/95/68/64/1096956864.db2.gz QRVCSUBPEKGIIV-LBPRGKRZSA-N 0 0 307.353 3.273 20 10 DGCDRN C[C@H](NC(=O)COC/C=C\c1ccccc1)c1ccccc1O ZINC001171730243 1096956870 /nfs/dbraw/zinc/95/68/70/1096956870.db2.gz MTYBWCIBFXAIPZ-XMELGKRDSA-N 0 0 311.381 3.299 20 10 DGCDRN CCOC(=O)C(F)(F)[C@@H](CC)Oc1ccc(N(C)C)cc1 ZINC001227939076 1097017357 /nfs/dbraw/zinc/01/73/57/1097017357.db2.gz KUSUKLHDGHILEK-CYBMUJFWSA-N 0 0 301.333 3.108 20 10 DGCDRN CCOC[C@H](C)Oc1cccc2c1C(=O)c1ccccc1C2=O ZINC001228074925 1097046012 /nfs/dbraw/zinc/04/60/12/1097046012.db2.gz UPFJWDIEFRXUIK-LBPRGKRZSA-N 0 0 310.349 3.266 20 10 DGCDRN O=C(c1ccc(O)cc1)c1ccc(O)c(O)c1OC1CCCC1 ZINC001228116398 1097054361 /nfs/dbraw/zinc/05/43/61/1097054361.db2.gz ZVPILPUYIGEEEH-UHFFFAOYSA-N 0 0 314.337 3.356 20 10 DGCDRN CC(=O)N1CCN(c2ccc(O[C@H](C)CC(C)C)cc2)CC1 ZINC001228200122 1097072027 /nfs/dbraw/zinc/07/20/27/1097072027.db2.gz ZWORELCGYNVDBQ-OAHLLOKOSA-N 0 0 304.434 3.169 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN([C@@H]2COC(C)(C)C2)C1 ZINC001172287290 1097104584 /nfs/dbraw/zinc/10/45/84/1097104584.db2.gz SRNKFSVKWHVLLJ-ZDUSSCGKSA-N 0 0 314.429 3.113 20 10 DGCDRN Fc1ccc(-c2noc(-c3nnsc3C3CC3)n2)cc1F ZINC001212679437 1097227209 /nfs/dbraw/zinc/22/72/09/1097227209.db2.gz CIHUTBIWYOKPAE-UHFFFAOYSA-N 0 0 306.297 3.411 20 10 DGCDRN COc1c(F)cccc1-c1noc(-c2nnsc2C2CC2)n1 ZINC001212679511 1097227462 /nfs/dbraw/zinc/22/74/62/1097227462.db2.gz HNLMOUSRPTXYMW-UHFFFAOYSA-N 0 0 318.333 3.280 20 10 DGCDRN Cc1ncc(Cl)cc1-c1noc(-c2nnsc2C2CC2)n1 ZINC001212680642 1097230923 /nfs/dbraw/zinc/23/09/23/1097230923.db2.gz PPSGJXRSZGNOPF-UHFFFAOYSA-N 0 0 319.777 3.489 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c[nH]nc2c1 ZINC000324751884 1097438271 /nfs/dbraw/zinc/43/82/71/1097438271.db2.gz SZWJKSSRNDQROS-UHFFFAOYSA-N 0 0 322.412 3.291 20 10 DGCDRN Nc1cccc2c1C(=O)c1cccc(Nc3ccoc3)c1C2=O ZINC001173937354 1097558572 /nfs/dbraw/zinc/55/85/72/1097558572.db2.gz WWOIYGLPVHOUEP-UHFFFAOYSA-N 0 0 304.305 3.381 20 10 DGCDRN NC(=O)c1ccccc1N(c1ccc(N)cc1)c1ccc(N)cc1 ZINC001173980747 1097580496 /nfs/dbraw/zinc/58/04/96/1097580496.db2.gz BUZRWNGNZNHDGK-UHFFFAOYSA-N 0 0 318.380 3.420 20 10 DGCDRN NC(=O)c1cccc(Nc2ccccc2C(=O)c2ccncc2)c1 ZINC001174063138 1097586878 /nfs/dbraw/zinc/58/68/78/1097586878.db2.gz MUBXYNGZYYFLMK-UHFFFAOYSA-N 0 0 317.348 3.155 20 10 DGCDRN Cc1ccc(N(c2ccc(N)cc2)S(C)(=O)=O)c(Cl)c1 ZINC001174046563 1097599818 /nfs/dbraw/zinc/59/98/18/1097599818.db2.gz ZZGZABUWGZVRPY-UHFFFAOYSA-N 0 0 310.806 3.328 20 10 DGCDRN C[C@@H]1C[C@H](Oc2ccc3c(c2)C(=O)c2ccccc2C3=O)CCO1 ZINC001231266400 1097708161 /nfs/dbraw/zinc/70/81/61/1097708161.db2.gz TZXBUOJDMDWCNI-TZMCWYRMSA-N 0 0 322.360 3.408 20 10 DGCDRN C[C@H]1COCC[C@H]1Oc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001231265420 1097708427 /nfs/dbraw/zinc/70/84/27/1097708427.db2.gz DZMMPMBSCWCREP-KPZWWZAWSA-N 0 0 322.360 3.266 20 10 DGCDRN CC[C@H](O)C(=O)Oc1ccc(NN=C2C=CC(=O)C=C2)cc1 ZINC001231318800 1097720543 /nfs/dbraw/zinc/72/05/43/1097720543.db2.gz DDXXSZPEZIVNPQ-HNNXBMFYSA-N 0 0 300.314 3.484 20 10 DGCDRN CC(C)[C@@H](C)Oc1cc(O)ccc1C(=O)c1ccc(O)c(O)c1 ZINC001231341946 1097725975 /nfs/dbraw/zinc/72/59/75/1097725975.db2.gz RKNYOUKBIMBLAZ-LLVKDONJSA-N 0 0 316.353 3.458 20 10 DGCDRN Oc1cc(OCc2ccccc2)ccc1CN1CC(F)(F)C1 ZINC001231466143 1097754882 /nfs/dbraw/zinc/75/48/82/1097754882.db2.gz NKNYLDJAZWWNPQ-UHFFFAOYSA-N 0 0 305.324 3.422 20 10 DGCDRN O=C([O-])c1ccc(O)c(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)c1 ZINC001231563080 1097779308 /nfs/dbraw/zinc/77/93/08/1097779308.db2.gz DTLHQSKLFYOCRH-MRXNPFEDSA-N 0 0 311.381 3.470 20 10 DGCDRN Cc1ccc([C@H]2CCC[N@@H+]2Cc2cc(C(=O)[O-])ccc2O)cn1 ZINC001231565578 1097780396 /nfs/dbraw/zinc/78/03/96/1097780396.db2.gz GZJXMQOSCPXZKS-MRXNPFEDSA-N 0 0 312.369 3.131 20 10 DGCDRN COc1cc(CN(C)Cc2ccc(F)cc2F)c(O)cc1O ZINC001231638936 1097798422 /nfs/dbraw/zinc/79/84/22/1097798422.db2.gz ILKTZOCREUOLSH-UHFFFAOYSA-N 0 0 309.312 3.017 20 10 DGCDRN Cc1cc(CN2C[C@H](C)O[C@](C)(C(F)F)C2)ccc1N(C)C ZINC001174723530 1097819683 /nfs/dbraw/zinc/81/96/83/1097819683.db2.gz CLXUGLLFUMVKGF-GUYCJALGSA-N 0 0 312.404 3.306 20 10 DGCDRN Cc1cc(Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n(C)n1 ZINC001174823161 1097848205 /nfs/dbraw/zinc/84/82/05/1097848205.db2.gz IVQNUSKDCQWMOU-UHFFFAOYSA-N 0 0 317.348 3.248 20 10 DGCDRN Cc1cc(O)c(CN2CCN(C(=O)CC(C)C)CC2)cc1Cl ZINC001231870037 1097870245 /nfs/dbraw/zinc/87/02/45/1097870245.db2.gz GVFUGUMYOFLHPR-UHFFFAOYSA-N 0 0 324.852 3.044 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC(Oc2ccncc2)CC1 ZINC001231909615 1097887633 /nfs/dbraw/zinc/88/76/33/1097887633.db2.gz GNJGQTRFWAKBBK-UHFFFAOYSA-N 0 0 318.804 3.484 20 10 DGCDRN CCOC(=O)C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001231910956 1097890196 /nfs/dbraw/zinc/89/01/96/1097890196.db2.gz WTVVPLPHWVSFDD-LBPRGKRZSA-N 0 0 311.809 3.211 20 10 DGCDRN C[N@H+](Cc1cccc2c1OCO2)Cc1cccc(Cl)c1[O-] ZINC001231913180 1097890242 /nfs/dbraw/zinc/89/02/42/1097890242.db2.gz GXPZSWCNZUKJRM-UHFFFAOYSA-N 0 0 305.761 3.406 20 10 DGCDRN Cc1ccc(O[C@H]2CC[N@H+](Cc3cccc(Cl)c3[O-])C2)nc1 ZINC001231913254 1097890322 /nfs/dbraw/zinc/89/03/22/1097890322.db2.gz JVUQLOVHNLNLKE-AWEZNQCLSA-N 0 0 318.804 3.402 20 10 DGCDRN CCCCOC(=O)[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001231913151 1097891004 /nfs/dbraw/zinc/89/10/04/1097891004.db2.gz GDMKZUDZXDBRFV-ZDUSSCGKSA-N 0 0 311.809 3.211 20 10 DGCDRN CCOC(=O)[C@]1(C)CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001231914757 1097891925 /nfs/dbraw/zinc/89/19/25/1097891925.db2.gz PRDWBNLMCSYDBL-MRXNPFEDSA-N 0 0 311.809 3.211 20 10 DGCDRN Oc1cccc2c1CN(Cc1ncccc1C(F)(F)F)CC2 ZINC001231964895 1097902502 /nfs/dbraw/zinc/90/25/02/1097902502.db2.gz FRULMANCZHWVFC-UHFFFAOYSA-N 0 0 308.303 3.364 20 10 DGCDRN Cc1oc(-c2ccco2)nc1CC(=O)N1Cc2cccc(O)c2C1 ZINC001175029963 1097923581 /nfs/dbraw/zinc/92/35/81/1097923581.db2.gz NYVFBXKZFCZYJO-UHFFFAOYSA-N 0 0 324.336 3.034 20 10 DGCDRN Clc1cc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)ccc1N1CCOCC1 ZINC001232201729 1097963490 /nfs/dbraw/zinc/96/34/90/1097963490.db2.gz MIDZHXGAWRSUBQ-PBHICJAKSA-N 0 0 306.837 3.161 20 10 DGCDRN Oc1cc(O)c(CN2CCCC(F)(F)[C@@H](F)C2)cc1Cl ZINC001232259534 1097984432 /nfs/dbraw/zinc/98/44/32/1097984432.db2.gz KLANRKMRQIQQMJ-LBPRGKRZSA-N 0 0 309.715 3.320 20 10 DGCDRN Cc1nc([C@@H]2CCCCN2Cc2cc(Cl)c(O)cc2O)no1 ZINC001232266892 1097986738 /nfs/dbraw/zinc/98/67/38/1097986738.db2.gz FKFJTOHAHHAGGP-LBPRGKRZSA-N 0 0 323.780 3.170 20 10 DGCDRN COc1cc(O)c(CN2Cc3cnc(C)cc3C2)cc1Cl ZINC001232269288 1097988072 /nfs/dbraw/zinc/98/80/72/1097988072.db2.gz UZHYBTMMUJYNRM-UHFFFAOYSA-N 0 0 304.777 3.273 20 10 DGCDRN CCOc1ccc(N(CCNC(=O)NC(C)C)CC2CC2)cc1 ZINC001175371189 1098028062 /nfs/dbraw/zinc/02/80/62/1098028062.db2.gz CQZFYMIQPFOZIC-UHFFFAOYSA-N 0 0 319.449 3.009 20 10 DGCDRN COC(=O)c1c(CN2CCC(F)(F)CC2)c2ccccc2n1C ZINC001232401748 1098029026 /nfs/dbraw/zinc/02/90/26/1098029026.db2.gz OGCAFGXNJKSKFQ-UHFFFAOYSA-N 0 0 322.355 3.196 20 10 DGCDRN CCCc1ccc(N(C)S(=O)(=O)Cc2ccc(N)cc2)cc1 ZINC001175718663 1098143548 /nfs/dbraw/zinc/14/35/48/1098143548.db2.gz UCYBWCIYGQJXCP-UHFFFAOYSA-N 0 0 318.442 3.188 20 10 DGCDRN Nc1ccc2c(c1Nc1cscn1)C(=O)c1ccccc1C2=O ZINC001175943821 1098200639 /nfs/dbraw/zinc/20/06/39/1098200639.db2.gz GHOTZWXDXCKUNN-UHFFFAOYSA-N 0 0 321.361 3.244 20 10 DGCDRN CN(Cc1nc2ccccc2s1)Cc1cc(O)c(O)c(O)c1 ZINC001233010036 1098202969 /nfs/dbraw/zinc/20/29/69/1098202969.db2.gz IHLYSYUQZLNPLX-UHFFFAOYSA-N 0 0 316.382 3.045 20 10 DGCDRN Oc1cc(CN2CCc3cc(Cl)ccc3C2)cc(O)c1O ZINC001233016517 1098203960 /nfs/dbraw/zinc/20/39/60/1098203960.db2.gz GKYQXUWTSCTQJS-UHFFFAOYSA-N 0 0 305.761 3.015 20 10 DGCDRN Oc1cc(CN2CCC(c3ccccc3F)CC2)cc(O)c1O ZINC001233012033 1098204333 /nfs/dbraw/zinc/20/43/33/1098204333.db2.gz HTEDZZWNYFBUCL-UHFFFAOYSA-N 0 0 317.360 3.322 20 10 DGCDRN [O-]c1c(C[N@@H+]2CCC[C@@H](Oc3cccnc3)C2)ccc(F)c1F ZINC001233077410 1098220659 /nfs/dbraw/zinc/22/06/59/1098220659.db2.gz MQAXLQQZXUFQOO-CQSZACIVSA-N 0 0 320.339 3.109 20 10 DGCDRN CN1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C[C@H]1c1ccccc1 ZINC001233077689 1098220781 /nfs/dbraw/zinc/22/07/81/1098220781.db2.gz WPSLSHNTCDAVID-INIZCTEOSA-N 0 0 318.367 3.159 20 10 DGCDRN COC(=O)c1cccc(C[N@H+](C)Cc2ccc(F)c(F)c2[O-])c1 ZINC001233079088 1098220918 /nfs/dbraw/zinc/22/09/18/1098220918.db2.gz VFUFDGZHVAYKBD-UHFFFAOYSA-N 0 0 321.323 3.089 20 10 DGCDRN Cc1cccnc1O[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001233079424 1098221085 /nfs/dbraw/zinc/22/10/85/1098221085.db2.gz BNFGAEKRLULIIB-CYBMUJFWSA-N 0 0 320.339 3.027 20 10 DGCDRN C[C@]1(c2ccccc2)CCCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001176046519 1098230616 /nfs/dbraw/zinc/23/06/16/1098230616.db2.gz OVQQKLDQQDPWFT-LJQANCHMSA-N 0 0 311.381 3.178 20 10 DGCDRN C[C@@]1(c2ccccc2)CCCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001176046517 1098231128 /nfs/dbraw/zinc/23/11/28/1098231128.db2.gz OVQQKLDQQDPWFT-IBGZPJMESA-N 0 0 311.381 3.178 20 10 DGCDRN O=C1CCN(Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC001233196862 1098249583 /nfs/dbraw/zinc/24/95/83/1098249583.db2.gz CZRCSMYPWIMCFB-UHFFFAOYSA-N 0 0 320.186 3.083 20 10 DGCDRN O=C1c2ccccc2C(=O)c2cc(NC3=CCOCC3)ccc21 ZINC001176144349 1098257972 /nfs/dbraw/zinc/25/79/72/1098257972.db2.gz OVIMKDHGZDBHBQ-UHFFFAOYSA-N 0 0 305.333 3.178 20 10 DGCDRN O=C(c1ccc(F)c(Nc2cccc(O)c2O)c1)N1CCCC1 ZINC001176212924 1098285316 /nfs/dbraw/zinc/28/53/16/1098285316.db2.gz TVAGGSOOGWJYBR-UHFFFAOYSA-N 0 0 316.332 3.217 20 10 DGCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001233334466 1098293210 /nfs/dbraw/zinc/29/32/10/1098293210.db2.gz IECBVHPMSYCXMF-CYBMUJFWSA-N 0 0 305.324 3.324 20 10 DGCDRN COc1ccc(CN2CCc3cccc(O)c3C2)c(Cl)c1O ZINC001233401266 1098315981 /nfs/dbraw/zinc/31/59/81/1098315981.db2.gz SLOBTSMYZXBNHL-UHFFFAOYSA-N 0 0 319.788 3.318 20 10 DGCDRN C[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])[C@H]1CO ZINC001233415733 1098322959 /nfs/dbraw/zinc/32/29/59/1098322959.db2.gz HEJVRDLRNGQHJW-GWCFXTLKSA-N 0 0 303.324 3.004 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CC[C@]1(C)O ZINC001233415786 1098323436 /nfs/dbraw/zinc/32/34/36/1098323436.db2.gz IQTQFLUHGJCCBC-YGRLFVJLSA-N 0 0 303.324 3.004 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC[C@]3(CCCO3)C2)cccc1C(F)(F)F ZINC001233416668 1098323963 /nfs/dbraw/zinc/32/39/63/1098323963.db2.gz QYZGEEJDKCBILY-CQSZACIVSA-N 0 0 301.308 3.166 20 10 DGCDRN CCN1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233418509 1098324452 /nfs/dbraw/zinc/32/44/52/1098324452.db2.gz KDDPOSWJUOJXJY-UHFFFAOYSA-N 0 0 316.367 3.327 20 10 DGCDRN CCO[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233418078 1098324714 /nfs/dbraw/zinc/32/47/14/1098324714.db2.gz SCVVOZWMXGQREI-LBPRGKRZSA-N 0 0 303.324 3.412 20 10 DGCDRN CO[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])[C@@H](C)C1 ZINC001233419742 1098326425 /nfs/dbraw/zinc/32/64/25/1098326425.db2.gz LACBCMLDTPDDON-CMPLNLGQSA-N 0 0 303.324 3.410 20 10 DGCDRN Oc1cccc2c1CN(Cc1cn3cccc(Cl)c3n1)CC2 ZINC001233423614 1098326948 /nfs/dbraw/zinc/32/69/48/1098326948.db2.gz DHWQRLXELGNENJ-UHFFFAOYSA-N 0 0 313.788 3.252 20 10 DGCDRN Oc1cc(O)c(CN2CCC[C@@H]2c2c(F)cccc2F)cc1O ZINC001233487021 1098347983 /nfs/dbraw/zinc/34/79/83/1098347983.db2.gz LYBYMEJOYYJGRA-CYBMUJFWSA-N 0 0 321.323 3.419 20 10 DGCDRN O=C(CCc1ccc(Cl)c(F)c1)NCc1cc(O)ccc1O ZINC001176755067 1098434386 /nfs/dbraw/zinc/43/43/86/1098434386.db2.gz LMXOLLBGLGTYHB-UHFFFAOYSA-N 0 0 323.751 3.139 20 10 DGCDRN C[C@@H](Oc1nc[nH]c2cc(=O)c(O)cc1-2)c1cccc(F)c1F ZINC001233948783 1098464668 /nfs/dbraw/zinc/46/46/68/1098464668.db2.gz LPJHPPQQPNVJBH-MRVPVSSYSA-N 0 0 318.279 3.459 20 10 DGCDRN C[C@@H](Oc1nc[nH]c2cc(=O)c(O)cc1-2)c1c(F)cccc1F ZINC001233949366 1098465100 /nfs/dbraw/zinc/46/51/00/1098465100.db2.gz FBQPWBNVNABLIK-MRVPVSSYSA-N 0 0 318.279 3.459 20 10 DGCDRN COc1cccc([C@H](C)Oc2nc[nH]c3cc(=O)c(O)cc2-3)c1 ZINC001233949403 1098465118 /nfs/dbraw/zinc/46/51/18/1098465118.db2.gz GPHRRJIKJONSHY-JTQLQIEISA-N 0 0 312.325 3.190 20 10 DGCDRN COc1ccccc1[C@@H](C)Oc1nc[nH]c2cc(=O)c(O)cc1-2 ZINC001233950252 1098465634 /nfs/dbraw/zinc/46/56/34/1098465634.db2.gz SZGYXXPSVSOYLU-SNVBAGLBSA-N 0 0 312.325 3.190 20 10 DGCDRN CCn1cnc(Cl)c1CNCc1ccc(N(C)C)c(F)c1 ZINC001177548975 1098554642 /nfs/dbraw/zinc/55/46/42/1098554642.db2.gz ZBCBCKQENQQBPN-UHFFFAOYSA-N 0 0 310.804 3.051 20 10 DGCDRN COc1cccc([C@H](C)Oc2cc(O)c(O)cc2C(C)=O)c1 ZINC001234473063 1098564466 /nfs/dbraw/zinc/56/44/66/1098564466.db2.gz AZPJTWPPHKFPKI-NSHDSACASA-N 0 0 302.326 3.449 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H]1CCc2c1nccc2Cl ZINC001234474373 1098564619 /nfs/dbraw/zinc/56/46/19/1098564619.db2.gz RNSGIAPXBOFCJY-CQSZACIVSA-N 0 0 319.744 3.415 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1OC(C(F)(F)F)C(F)(F)F ZINC001234473111 1098564820 /nfs/dbraw/zinc/56/48/20/1098564820.db2.gz BRRADSVUWLGSOQ-UHFFFAOYSA-N 0 0 318.169 3.172 20 10 DGCDRN COc1ccccc1[C@@H](C)Oc1cc(O)c(O)cc1C(C)=O ZINC001234473374 1098565223 /nfs/dbraw/zinc/56/52/23/1098565223.db2.gz FQGMJUWOJDAATF-LLVKDONJSA-N 0 0 302.326 3.449 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1O[C@H](C)c1cccnc1Cl ZINC001234474277 1098565252 /nfs/dbraw/zinc/56/52/52/1098565252.db2.gz QPFHFBDEQVIGRB-SECBINFHSA-N 0 0 307.733 3.489 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1OC[C@H](C)Oc1ccccc1 ZINC001234476721 1098565777 /nfs/dbraw/zinc/56/57/77/1098565777.db2.gz OIZDZFYGYSQZTQ-NSHDSACASA-N 0 0 302.326 3.147 20 10 DGCDRN COc1ccc2ccc(O)c(CN3C[C@@H](F)C[C@H]3CF)c2c1 ZINC001234525379 1098581071 /nfs/dbraw/zinc/58/10/71/1098581071.db2.gz DTAHFVOMWLZDNQ-STQMWFEESA-N 0 0 307.340 3.436 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)Cc1ccc[nH]1 ZINC001177873750 1098626366 /nfs/dbraw/zinc/62/63/66/1098626366.db2.gz ADQPWFUHJMDFRK-SFHVURJKSA-N 0 0 312.413 3.319 20 10 DGCDRN CC[C@H](NCc1ccc(N2CCCC2)cc1)c1noc(C)n1 ZINC001177967355 1098655938 /nfs/dbraw/zinc/65/59/38/1098655938.db2.gz FDZJRUNRHUCVJM-INIZCTEOSA-N 0 0 300.406 3.219 20 10 DGCDRN O=C(Cc1ccc(-c2ccccn2)cc1)NCc1ccccc1O ZINC001177950294 1098667423 /nfs/dbraw/zinc/66/74/23/1098667423.db2.gz UDACHBNQQRFLSK-UHFFFAOYSA-N 0 0 318.376 3.313 20 10 DGCDRN COc1cccc(/C(C)=C\C(=O)NCc2c(O)cccc2F)c1 ZINC001178413462 1098827866 /nfs/dbraw/zinc/82/78/66/1098827866.db2.gz SEHSAWHAJLYUOY-XFXZXTDPSA-N 0 0 315.344 3.260 20 10 DGCDRN [O-]c1c(Br)cc(F)cc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC001235303332 1098951439 /nfs/dbraw/zinc/95/14/39/1098951439.db2.gz MZWLTQATXUZSQN-VIFPVBQESA-N 0 0 320.177 3.475 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)Cc1cc(OC)ncc1F ZINC001235329327 1098957776 /nfs/dbraw/zinc/95/77/76/1098957776.db2.gz JTUVKUIEZFTWTO-UHFFFAOYSA-N 0 0 317.408 3.317 20 10 DGCDRN O=C(NCc1c(O)cccc1O)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001178912701 1098970905 /nfs/dbraw/zinc/97/09/05/1098970905.db2.gz WTAMIMCAJRDGRO-LSDHHAIUSA-N 0 0 311.381 3.298 20 10 DGCDRN Cc1cc(C)c(C(=O)NCc2c(O)ccc3ccccc32)c(=O)[nH]1 ZINC001179029279 1099005207 /nfs/dbraw/zinc/00/52/07/1099005207.db2.gz MVIOVORICKQEPA-UHFFFAOYSA-N 0 0 322.364 3.193 20 10 DGCDRN Cc1ccc(CC(=O)NCc2c(O)ccc3ccccc32)cc1O ZINC001179032403 1099006787 /nfs/dbraw/zinc/00/67/87/1099006787.db2.gz FQOITERVIVBVND-UHFFFAOYSA-N 0 0 321.376 3.418 20 10 DGCDRN COc1cc(NC/C=C/c2ccc(N(C)C)cc2)cnc1OC ZINC001179172868 1099035322 /nfs/dbraw/zinc/03/53/22/1099035322.db2.gz CSOSIKNJPQVJRV-AATRIKPKSA-N 0 0 313.401 3.290 20 10 DGCDRN COC(=O)[C@@H]1CCCCN1Cc1ccc(C(C)(C)C)cc1O ZINC001235673850 1099116010 /nfs/dbraw/zinc/11/60/10/1099116010.db2.gz AJMVUBUNKMDBDU-HNNXBMFYSA-N 0 0 305.418 3.217 20 10 DGCDRN CC(C)(C)c1ccc(CN2C[C@H](CO)CC(F)(F)C2)c(O)c1 ZINC001235674888 1099118836 /nfs/dbraw/zinc/11/88/36/1099118836.db2.gz ICHJDQSSQGYLIO-GFCCVEGCSA-N 0 0 313.388 3.139 20 10 DGCDRN Cn1cnc2cc(C[NH2+]Cc3c([O-])ccc(Cl)c3F)ccc21 ZINC001179602700 1099143437 /nfs/dbraw/zinc/14/34/37/1099143437.db2.gz FRMXGLBTRKQHTL-UHFFFAOYSA-N 0 0 319.767 3.361 20 10 DGCDRN CN(C)c1cc(F)c(CNc2c[nH]nc2C(F)(F)F)cc1F ZINC001179611547 1099147329 /nfs/dbraw/zinc/14/73/29/1099147329.db2.gz PRUGGVZQGSKGPR-UHFFFAOYSA-N 0 0 320.265 3.385 20 10 DGCDRN CC1(C)C(C(=O)N2CCCc3cc(O)c(O)cc3C2)C1(C)C ZINC001179693900 1099165294 /nfs/dbraw/zinc/16/52/94/1099165294.db2.gz FUNCZYRNRZTOFJ-UHFFFAOYSA-N 0 0 303.402 3.055 20 10 DGCDRN Cc1nc2c(NC(=O)/C=C/c3ccc(O)c(O)c3)cccn2c1C ZINC001179682849 1099176498 /nfs/dbraw/zinc/17/64/98/1099176498.db2.gz ABOKHLFYTHHQLF-SOFGYWHQSA-N 0 0 323.352 3.014 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)N[C@@H]2CCCc3cnccc32)cc1 ZINC001180130492 1099309946 /nfs/dbraw/zinc/30/99/46/1099309946.db2.gz QTCDJMOUTMOUOL-UFUQCMIWSA-N 0 0 321.424 3.355 20 10 DGCDRN C=C(F)C(=O)Nc1ccc(NC(=O)Nc2ccc(N)cc2)cc1 ZINC001180120638 1099319945 /nfs/dbraw/zinc/31/99/45/1099319945.db2.gz WJWHVHORRUGOSZ-UHFFFAOYSA-N 0 0 314.320 3.335 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)N2CC[C@](C)(F)[C@@H](F)C2)cc1 ZINC001180122884 1099321578 /nfs/dbraw/zinc/32/15/78/1099321578.db2.gz INWZMBVTBOBLGX-KAFRUAOYSA-N 0 0 308.372 3.064 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)Nc2nccnc2C2CC2)cc1 ZINC001180122307 1099321624 /nfs/dbraw/zinc/32/16/24/1099321624.db2.gz QPAJWMWQOJCYHS-BJMVGYQFSA-N 0 0 308.385 3.072 20 10 DGCDRN Cc1cc(-c2nccn2C)c(-c2cccnc2OC(C)C)nn1 ZINC001236100268 1099388785 /nfs/dbraw/zinc/38/87/85/1099388785.db2.gz BXSNNTNLOXJEQY-UHFFFAOYSA-N 0 0 309.373 3.035 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1cc(Cl)ccc1O ZINC001180409602 1099411878 /nfs/dbraw/zinc/41/18/78/1099411878.db2.gz DXIXRNHYBQZACK-UHFFFAOYSA-N 0 0 312.152 3.335 20 10 DGCDRN Oc1c(Cl)cccc1CNc1c[nH]nc1-c1ccccn1 ZINC001180479250 1099419585 /nfs/dbraw/zinc/41/95/85/1099419585.db2.gz IZLHTMRINVEEBY-UHFFFAOYSA-N 0 0 300.749 3.443 20 10 DGCDRN COc1cc(OC)c(CN(C)c2ccc3c(c2)OCO3)cc1F ZINC001180752541 1099499612 /nfs/dbraw/zinc/49/96/12/1099499612.db2.gz SMLVGCAQJJTGQK-UHFFFAOYSA-N 0 0 319.332 3.208 20 10 DGCDRN Nc1ccc(-c2ncnc3c2ccn3Cc2cccc(F)c2)cn1 ZINC001236306529 1099525844 /nfs/dbraw/zinc/52/58/44/1099525844.db2.gz AHSJSNGBDVZQQU-UHFFFAOYSA-N 0 0 319.343 3.263 20 10 DGCDRN COc1cncc(-c2ccn(Cc3ccccc3F)c(=O)c2)c1C ZINC001236392292 1099571623 /nfs/dbraw/zinc/57/16/23/1099571623.db2.gz MJQMMYVRCIINGF-UHFFFAOYSA-N 0 0 324.355 3.415 20 10 DGCDRN [NH3+]CCN(Cc1ccccc1)Cc1cc(F)cc(Cl)c1[O-] ZINC001236529471 1099664738 /nfs/dbraw/zinc/66/47/38/1099664738.db2.gz ZGUJIELOMLAMOA-UHFFFAOYSA-N 0 0 308.784 3.146 20 10 DGCDRN COc1ccc(OC)c(NC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001188359565 1099757660 /nfs/dbraw/zinc/75/76/60/1099757660.db2.gz CSEFVWVBMPCUGJ-NSHDSACASA-N 0 0 316.357 3.292 20 10 DGCDRN COc1cc(CN2C[C@@H](F)C[C@H]2C)c(O)cc1Br ZINC001236748172 1099769118 /nfs/dbraw/zinc/76/91/18/1099769118.db2.gz MGHKKHMICOFKKJ-SCZZXKLOSA-N 0 0 318.186 3.096 20 10 DGCDRN COc1cc(O)c(CN2Cc3ccc(F)cc3C2)cc1OC ZINC001236751329 1099771373 /nfs/dbraw/zinc/77/13/73/1099771373.db2.gz ATSRUHUWPDBFJR-UHFFFAOYSA-N 0 0 303.333 3.064 20 10 DGCDRN Oc1cc(CN2CCCC[C@@H](F)C2)c(O)cc1Br ZINC001236769567 1099776130 /nfs/dbraw/zinc/77/61/30/1099776130.db2.gz WAZIGOFOFPLKOE-SNVBAGLBSA-N 0 0 318.186 3.184 20 10 DGCDRN C[C@]1(F)CCCN(Cc2cc(O)c(Br)cc2O)C1 ZINC001236766877 1099776972 /nfs/dbraw/zinc/77/69/72/1099776972.db2.gz JHKRHXBYTWXERZ-ZDUSSCGKSA-N 0 0 318.186 3.184 20 10 DGCDRN COc1ccc(NC(=O)NCc2cccc(C)c2O)c(OC)c1 ZINC001188569895 1099785499 /nfs/dbraw/zinc/78/54/99/1099785499.db2.gz WGXIMWQBTMUCGO-UHFFFAOYSA-N 0 0 316.357 3.040 20 10 DGCDRN CCOCc1noc2c1CN(Cc1ccc(CC)cc1O)CC2 ZINC001236790829 1099787225 /nfs/dbraw/zinc/78/72/25/1099787225.db2.gz YETTYHZZCYSETL-UHFFFAOYSA-N 0 0 316.401 3.037 20 10 DGCDRN COc1ccc(C[N@@H+]2CCC[C@](C)(O)[C@@H](C)C2)c([O-])c1Cl ZINC001236802542 1099795734 /nfs/dbraw/zinc/79/57/34/1099795734.db2.gz SDGVVYPIEQRYNM-ZBEGNZNMSA-N 0 0 313.825 3.037 20 10 DGCDRN COc1ccc(C[N@@H+]2CCC[C@@](C)(O)[C@@H](C)C2)c([O-])c1Cl ZINC001236802540 1099797853 /nfs/dbraw/zinc/79/78/53/1099797853.db2.gz SDGVVYPIEQRYNM-MEDUHNTESA-N 0 0 313.825 3.037 20 10 DGCDRN COc1ccc(C[N@H+](C)Cc2ccc(C)nc2)c([O-])c1Cl ZINC001236810263 1099798545 /nfs/dbraw/zinc/79/85/45/1099798545.db2.gz QMONMHZWUHAVPB-UHFFFAOYSA-N 0 0 306.793 3.390 20 10 DGCDRN COc1cc(O)c(CN(C)CC(=O)c2ccccc2)c(Cl)c1 ZINC001236808558 1099799574 /nfs/dbraw/zinc/79/95/74/1099799574.db2.gz OPGGENARSVISGD-UHFFFAOYSA-N 0 0 319.788 3.369 20 10 DGCDRN CC(C)(C)c1cccc(C[N@@H+]2CCN[C@@H](C(F)(F)F)C2)c1O ZINC001236978379 1099899566 /nfs/dbraw/zinc/89/95/66/1099899566.db2.gz BDSFSFFVZVEDAR-CYBMUJFWSA-N 0 0 316.367 3.026 20 10 DGCDRN CCOc1ccc(CN2CCc3nc(Cl)ccc3C2)c(O)c1 ZINC001237041872 1099939924 /nfs/dbraw/zinc/93/99/24/1099939924.db2.gz OJTZABUYBNMVTM-UHFFFAOYSA-N 0 0 318.804 3.398 20 10 DGCDRN CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCCC(=O)N3)C2)c(O)c1 ZINC001237048279 1099942178 /nfs/dbraw/zinc/94/21/78/1099942178.db2.gz JBGKPKWKHUPQGN-LJQANCHMSA-N 0 0 316.445 3.150 20 10 DGCDRN CCOc1ccc(CN2CCC[C@H](F)C(F)(F)C2)c(O)c1 ZINC001237050670 1099945379 /nfs/dbraw/zinc/94/53/79/1099945379.db2.gz UFPVBJJSLSMCSN-AWEZNQCLSA-N 0 0 303.324 3.360 20 10 DGCDRN COC(=O)[C@@H]1CCCCN1Cc1c(O)ccc(Cl)c1Cl ZINC001237078613 1099959393 /nfs/dbraw/zinc/95/93/93/1099959393.db2.gz VISAJUHEYUYTRP-NSHDSACASA-N 0 0 318.200 3.227 20 10 DGCDRN [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CCC[C@](O)(CF)CC1 ZINC001237077419 1099959435 /nfs/dbraw/zinc/95/94/35/1099959435.db2.gz HOBXDBWUFRSKBJ-CQSZACIVSA-N 0 0 322.207 3.386 20 10 DGCDRN CCOC(=O)CC[N@H+](C)Cc1c([O-])ccc(Cl)c1Cl ZINC001237083042 1099961401 /nfs/dbraw/zinc/96/14/01/1099961401.db2.gz XEUAKQYBSWJVJT-UHFFFAOYSA-N 0 0 306.189 3.084 20 10 DGCDRN OCCN(Cc1ccccc1)Cc1c(O)ccc(F)c1Cl ZINC001237119138 1099979991 /nfs/dbraw/zinc/97/99/91/1099979991.db2.gz BFLVLWSJUNEIRF-UHFFFAOYSA-N 0 0 309.768 3.179 20 10 DGCDRN Oc1cccc(OC(F)(F)F)c1CN1Cc2ccncc2C1 ZINC001237122939 1099980969 /nfs/dbraw/zinc/98/09/69/1099980969.db2.gz MFZAQPVPPCXPLF-UHFFFAOYSA-N 0 0 310.275 3.202 20 10 DGCDRN CN(Cc1cccnc1)Cc1c(O)cccc1OC(F)(F)F ZINC001237120590 1099982169 /nfs/dbraw/zinc/98/21/69/1099982169.db2.gz QPOJALBUNPLJRK-UHFFFAOYSA-N 0 0 312.291 3.318 20 10 DGCDRN Oc1cccc(OC(F)(F)F)c1CN1CC(c2cccnc2)C1 ZINC001237124075 1099983888 /nfs/dbraw/zinc/98/38/88/1099983888.db2.gz XLODDHLSJXBVDR-UHFFFAOYSA-N 0 0 324.302 3.285 20 10 DGCDRN Oc1ccc(C(F)(F)F)cc1CN1CCOC[C@@H]1C1CC1 ZINC001237138973 1099988548 /nfs/dbraw/zinc/98/85/48/1099988548.db2.gz AQXNEMNHFGAVFJ-CYBMUJFWSA-N 0 0 301.308 3.022 20 10 DGCDRN CO[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2O)[C@@H](C)C1 ZINC001237139699 1099989018 /nfs/dbraw/zinc/98/90/18/1099989018.db2.gz BWWGQEBWTSQEQT-GXFFZTMASA-N 0 0 303.324 3.410 20 10 DGCDRN CC(C)[C@H]1COCCN1Cc1cc(C(F)(F)F)ccc1O ZINC001237141125 1099992546 /nfs/dbraw/zinc/99/25/46/1099992546.db2.gz VHHIDZPLACFBIU-CYBMUJFWSA-N 0 0 303.324 3.268 20 10 DGCDRN Oc1ccc(C(F)(F)F)cc1CN1CCc2cccnc2C1 ZINC001237141768 1099993177 /nfs/dbraw/zinc/99/31/77/1099993177.db2.gz CBZJFUVYBNKXEE-UHFFFAOYSA-N 0 0 308.303 3.364 20 10 DGCDRN CN(c1ccc(N)cc1)c1ccc(F)c(C(=O)N2CCCC2)c1 ZINC001189359791 1100044453 /nfs/dbraw/zinc/04/44/53/1100044453.db2.gz CQBGUORCDZKQIB-UHFFFAOYSA-N 0 0 313.376 3.412 20 10 DGCDRN COC(=O)c1cnc(SCc2cnc(Cl)s2)s1 ZINC001189408183 1100048716 /nfs/dbraw/zinc/04/87/16/1100048716.db2.gz ZGLYXKYWNFLKED-UHFFFAOYSA-N 0 0 306.821 3.332 20 10 DGCDRN CCN(Cc1cc2ccccn2n1)Cc1ccc(N(C)C)cc1 ZINC001237447933 1100126781 /nfs/dbraw/zinc/12/67/81/1100126781.db2.gz AMBGLWYLDKHBLA-UHFFFAOYSA-N 0 0 308.429 3.422 20 10 DGCDRN Cc1cccc(O)c1C[N@@H+]1CCC[C@@H]1CC(=O)OC(C)(C)C ZINC001237489684 1100141788 /nfs/dbraw/zinc/14/17/88/1100141788.db2.gz CXHAPTPBKRYBES-CQSZACIVSA-N 0 0 305.418 3.397 20 10 DGCDRN CCC1(NC(=O)OC(C)(C)C)C[NH+](Cc2c(C)cccc2O)C1 ZINC001237491622 1100143880 /nfs/dbraw/zinc/14/38/80/1100143880.db2.gz KNNMKXINOOICEW-UHFFFAOYSA-N 0 0 320.433 3.190 20 10 DGCDRN Cc1cccc(O)c1C[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC001237495614 1100145391 /nfs/dbraw/zinc/14/53/91/1100145391.db2.gz SWPTWYNWXNDKAN-IRXDYDNUSA-N 0 0 308.425 3.269 20 10 DGCDRN CCc1cccc(C)c1NC(=O)NCc1ccc(O)cc1O ZINC001189998516 1100183638 /nfs/dbraw/zinc/18/36/38/1100183638.db2.gz RXMLQHIOGHYZBA-UHFFFAOYSA-N 0 0 300.358 3.290 20 10 DGCDRN CC[N@@H+]1CCN(Cc2cc(Cl)cc(F)c2[O-])C(C)(C)C1 ZINC001237624234 1100192526 /nfs/dbraw/zinc/19/25/26/1100192526.db2.gz QOQXKTZDUCDOAO-UHFFFAOYSA-N 0 0 300.805 3.101 20 10 DGCDRN COc1cc(CN2CCCCC(F)(F)C2)c(O)c(OC)c1 ZINC001237675005 1100210315 /nfs/dbraw/zinc/21/03/15/1100210315.db2.gz PWIWCKPIGLBERE-UHFFFAOYSA-N 0 0 301.333 3.031 20 10 DGCDRN CC[N@H+](Cc1ccccc1O)Cc1cc(OC)cc(OC)c1O ZINC001237682262 1100211547 /nfs/dbraw/zinc/21/15/47/1100211547.db2.gz XDMQIDIJIZVJMH-UHFFFAOYSA-N 0 0 317.385 3.137 20 10 DGCDRN Cc1cc(O)c(C[N@@H+](CCCO)C(C)C)cc1Br ZINC001237678747 1100213079 /nfs/dbraw/zinc/21/30/79/1100213079.db2.gz LWMZJQJSZPOIOR-UHFFFAOYSA-N 0 0 316.239 3.056 20 10 DGCDRN Cc1cc(Cl)cc(C[N@@H+]2CC[C@]3(C2)CC(F)(F)CO3)c1O ZINC001237686205 1100214378 /nfs/dbraw/zinc/21/43/78/1100214378.db2.gz ISBAYTGKEOAHJJ-CQSZACIVSA-N 0 0 317.763 3.354 20 10 DGCDRN Cc1cc(O)c(CN2C[C@@H](C)OC[C@@H]2C)cc1Br ZINC001237683481 1100214898 /nfs/dbraw/zinc/21/48/98/1100214898.db2.gz AYFAPCCEKBXFTB-WDEREUQCSA-N 0 0 314.223 3.072 20 10 DGCDRN Cc1cccc(CNC(=O)Nc2cccc3nsnc32)c1O ZINC001190327399 1100245910 /nfs/dbraw/zinc/24/59/10/1100245910.db2.gz MTAIDUFTARECCA-UHFFFAOYSA-N 0 0 314.370 3.027 20 10 DGCDRN [O-]c1c(Cl)cc(F)cc1C[NH+]1CCC(n2ccnc2)CC1 ZINC001237804502 1100251531 /nfs/dbraw/zinc/25/15/31/1100251531.db2.gz DLDAYIFZWQJPGG-UHFFFAOYSA-N 0 0 309.772 3.218 20 10 DGCDRN CCOCC[NH+](CCOCC)Cc1cc(F)cc(Cl)c1[O-] ZINC001237798541 1100251865 /nfs/dbraw/zinc/25/18/65/1100251865.db2.gz ISNDLLODVQVKAO-UHFFFAOYSA-N 0 0 319.804 3.060 20 10 DGCDRN CCOc1ccc(N2CCN(Cc3occc3OC)CC2)cc1 ZINC001237870911 1100272574 /nfs/dbraw/zinc/27/25/74/1100272574.db2.gz LXRQVEYQESAATA-UHFFFAOYSA-N 0 0 316.401 3.009 20 10 DGCDRN [O-]c1cc(Cl)c(F)cc1C[NH+]1CCC2(C[C@H]2CCO)CC1 ZINC001237933615 1100296238 /nfs/dbraw/zinc/29/62/38/1100296238.db2.gz DYYANXBURMUVSA-GFCCVEGCSA-N 0 0 313.800 3.169 20 10 DGCDRN CO[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(F)c(Cl)cc3[O-])C[C@@H]21 ZINC001237938169 1100297208 /nfs/dbraw/zinc/29/72/08/1100297208.db2.gz VKULIDAQYXGWME-RSAASHCRSA-N 0 0 313.800 3.432 20 10 DGCDRN Cc1cc(F)cc(CN2CC(OCc3ccccc3)C2)c1O ZINC001238060408 1100345594 /nfs/dbraw/zinc/34/55/94/1100345594.db2.gz AMOYSWVETHBKKD-UHFFFAOYSA-N 0 0 301.361 3.241 20 10 DGCDRN Cc1cc(F)cc(CN2CC(Oc3ccc(F)cc3)C2)c1O ZINC001238066058 1100347311 /nfs/dbraw/zinc/34/73/11/1100347311.db2.gz DOBNDZNHLYRTGK-UHFFFAOYSA-N 0 0 305.324 3.242 20 10 DGCDRN CCOC(=O)C[C@H]1CC[N@H+](Cc2cc(F)cc(C)c2O)C[C@H]1C ZINC001238067564 1100347400 /nfs/dbraw/zinc/34/74/00/1100347400.db2.gz UVKXOOZWYXPPST-ZIAGYGMSSA-N 0 0 323.408 3.251 20 10 DGCDRN Cc1ccc(Cl)c(NC(=O)NCc2ccc(O)c(O)c2)c1 ZINC001191723582 1100502624 /nfs/dbraw/zinc/50/26/24/1100502624.db2.gz VUPTZSSNDBKLRP-UHFFFAOYSA-N 0 0 306.749 3.381 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H](C)CC(C)C)cc1 ZINC001278287962 1100584652 /nfs/dbraw/zinc/58/46/52/1100584652.db2.gz AKKBBCABGOBECU-OAHLLOKOSA-N 0 0 306.450 3.272 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2cnc(-c3ccccc3)[nH]2)c(O)c1 ZINC001192222591 1100591672 /nfs/dbraw/zinc/59/16/72/1100591672.db2.gz WAXXHBBRXOOLSV-UHFFFAOYSA-N 0 0 321.380 3.329 20 10 DGCDRN CNc1ccc(-c2ccc3cc(C(=O)OC)n(C)c3c2)c(F)n1 ZINC001239420992 1100659777 /nfs/dbraw/zinc/65/97/77/1100659777.db2.gz LWUPPVXWVQLKKW-UHFFFAOYSA-N 0 0 313.332 3.208 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C[C@H]1CCC(C)(C)CO1 ZINC001192938067 1100683068 /nfs/dbraw/zinc/68/30/68/1100683068.db2.gz CSDOPGKSBZWMOT-OAHLLOKOSA-N 0 0 304.434 3.157 20 10 DGCDRN CCOc1ccc(C)cc1NC(=O)c1cc(O)c(O)c(OC)c1 ZINC001193098992 1100705016 /nfs/dbraw/zinc/70/50/16/1100705016.db2.gz ZDKPBVAXODLRRV-UHFFFAOYSA-N 0 0 317.341 3.066 20 10 DGCDRN COc1cc(C(=O)Nc2cc(C)c(C)cc2C)cc(O)c1O ZINC001193105056 1100705750 /nfs/dbraw/zinc/70/57/50/1100705750.db2.gz WVQYVYHDXQOACC-UHFFFAOYSA-N 0 0 301.342 3.284 20 10 DGCDRN COc1cc(C(=O)N2CCC[C@@H]2C2CCCCC2)cc(O)c1O ZINC001193097238 1100709841 /nfs/dbraw/zinc/70/98/41/1100709841.db2.gz GQQJYTWCZMXQIR-CQSZACIVSA-N 0 0 319.401 3.291 20 10 DGCDRN C[C@@H]1CCN1C(=O)c1csc(-c2ccc(N(C)C)cc2)n1 ZINC001193163653 1100714749 /nfs/dbraw/zinc/71/47/49/1100714749.db2.gz AXAUGJWCAMXHQF-LLVKDONJSA-N 0 0 301.415 3.111 20 10 DGCDRN O=C(Nc1nc(C2CC2)cs1)c1ccc(O)c(O)c1Cl ZINC001193210409 1100717818 /nfs/dbraw/zinc/71/78/18/1100717818.db2.gz YNAHSFTWQNHYEV-UHFFFAOYSA-N 0 0 310.762 3.337 20 10 DGCDRN COCCOC(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001193446330 1100740000 /nfs/dbraw/zinc/74/00/00/1100740000.db2.gz QFHVDYNHXNTPBV-HNNXBMFYSA-N 0 0 307.390 3.005 20 10 DGCDRN Cc1nc2c(ccn2C)c(-c2cnn(Cc3ccccc3)c2)n1 ZINC001240001311 1100827129 /nfs/dbraw/zinc/82/71/29/1100827129.db2.gz BSDJGZXPQCIVIO-UHFFFAOYSA-N 0 0 303.369 3.189 20 10 DGCDRN Cn1c(=O)cc(-c2cnn(Cc3ccccc3)c2)c2ccccc21 ZINC001240005203 1100829367 /nfs/dbraw/zinc/82/93/67/1100829367.db2.gz HIJZKDPOKKJWBV-UHFFFAOYSA-N 0 0 315.376 3.450 20 10 DGCDRN CC[C@H](C)OC(=O)N1CCN(c2ccc(OC)cc2C)CC1 ZINC001195113114 1101073072 /nfs/dbraw/zinc/07/30/72/1101073072.db2.gz WBPVYXFZHJJRDF-AWEZNQCLSA-N 0 0 306.406 3.061 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)O[C@@H](C)CC)CC2)cc1 ZINC001195111063 1101073972 /nfs/dbraw/zinc/07/39/72/1101073972.db2.gz DKBIIQVLZVDLOA-AWEZNQCLSA-N 0 0 306.406 3.142 20 10 DGCDRN CC[C@H](C)OC(=O)NCc1cc(Br)ccc1O ZINC001195157342 1101089219 /nfs/dbraw/zinc/08/92/19/1101089219.db2.gz TXNNLGBFYJVYJD-QMMMGPOBSA-N 0 0 302.168 3.179 20 10 DGCDRN O=C(NCc1c[nH]cn1)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195253877 1101106798 /nfs/dbraw/zinc/10/67/98/1101106798.db2.gz FJZSELRAAYEXNE-QURGRASLSA-N 0 0 321.340 3.461 20 10 DGCDRN COc1ccccc1OC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001195259491 1101106860 /nfs/dbraw/zinc/10/68/60/1101106860.db2.gz XKGBARPUFBUZRI-UHFFFAOYSA-N 0 0 314.385 3.392 20 10 DGCDRN O=C(NCc1cc[nH]n1)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195275826 1101111070 /nfs/dbraw/zinc/11/10/70/1101111070.db2.gz VKCCWRNJQWWRGA-QURGRASLSA-N 0 0 321.340 3.461 20 10 DGCDRN Cc1cc(NS(=O)(=O)c2c(C)cccc2Cl)ccc1O ZINC001195307918 1101118642 /nfs/dbraw/zinc/11/86/42/1101118642.db2.gz BOSFNSCCGCRWPC-UHFFFAOYSA-N 0 0 311.790 3.463 20 10 DGCDRN Cc1c[nH]c2ncc(-c3ccn(Cc4ccncc4)c(=O)c3)cc12 ZINC001240969732 1101202286 /nfs/dbraw/zinc/20/22/86/1101202286.db2.gz WQZFBTSNNLLPFR-UHFFFAOYSA-N 0 0 316.364 3.143 20 10 DGCDRN CC(C)(C)CCCS(=O)(=O)NCc1cccc(Cl)c1O ZINC001195883171 1101217402 /nfs/dbraw/zinc/21/74/02/1101217402.db2.gz VBJGCEYAXIZDNG-UHFFFAOYSA-N 0 0 319.854 3.291 20 10 DGCDRN COc1ccnc(CNC(=S)Nc2cccc(C)c2C)c1 ZINC001196433098 1101307635 /nfs/dbraw/zinc/30/76/35/1101307635.db2.gz SWUWDCYCDRPJEW-UHFFFAOYSA-N 0 0 301.415 3.194 20 10 DGCDRN c1ccc(N2CC=C(c3cnc(N4CCCC4)nc3)CC2)cc1 ZINC001241351873 1101398140 /nfs/dbraw/zinc/39/81/40/1101398140.db2.gz GXKYKHGGOYWOPJ-UHFFFAOYSA-N 0 0 306.413 3.371 20 10 DGCDRN COC(=O)c1cc(C)c(C2=CCN(c3ccccc3)CC2)cn1 ZINC001241355502 1101399955 /nfs/dbraw/zinc/39/99/55/1101399955.db2.gz SNABCLGZSCRTEE-UHFFFAOYSA-N 0 0 308.381 3.470 20 10 DGCDRN O=C(NCc1ccccc1O)c1c[nH]c(-c2ccc(F)cc2)c1 ZINC001196972427 1101435658 /nfs/dbraw/zinc/43/56/58/1101435658.db2.gz WMFKDCFFKVBLKB-UHFFFAOYSA-N 0 0 310.328 3.456 20 10 DGCDRN CO[C@@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)C1CCCC1 ZINC001203241581 1101452722 /nfs/dbraw/zinc/45/27/22/1101452722.db2.gz AXYFQIMNFBQNPS-AWEZNQCLSA-N 0 0 301.789 3.480 20 10 DGCDRN Cc1cc(-c2nc3ccccc3n2C)c(-c2cncs2)nn1 ZINC001241497114 1101511170 /nfs/dbraw/zinc/51/11/70/1101511170.db2.gz MPUXPEKONHLGEU-UHFFFAOYSA-N 0 0 307.382 3.462 20 10 DGCDRN Cc1ccc(NC(=S)NCc2ccc(O)cc2O)c(C)c1 ZINC001198008261 1101726488 /nfs/dbraw/zinc/72/64/88/1101726488.db2.gz LVTAPAMQHCRIKH-UHFFFAOYSA-N 0 0 302.399 3.201 20 10 DGCDRN COC(=O)c1cc(-c2cccc3c2ccn3C)c2nccn2c1 ZINC001241822598 1101728781 /nfs/dbraw/zinc/72/87/81/1101728781.db2.gz UAYKGUIUBAVHNM-UHFFFAOYSA-N 0 0 305.337 3.280 20 10 DGCDRN Cn1ccc2c1cccc2-c1cccn(Cc2cccnc2)c1=O ZINC001241823866 1101730685 /nfs/dbraw/zinc/73/06/85/1101730685.db2.gz ZYVNGTWDWPHAFY-UHFFFAOYSA-N 0 0 315.376 3.450 20 10 DGCDRN Fc1cccc(Cn2ccc3c2ncnc3-c2ccnnc2)c1 ZINC001242046685 1101876890 /nfs/dbraw/zinc/87/68/90/1101876890.db2.gz LPBUQFNZNKCESG-UHFFFAOYSA-N 0 0 305.316 3.076 20 10 DGCDRN COC(=O)c1ccc2c(c1)N(Cc1ccc(N(C)C)cc1)CC2 ZINC001198632436 1101934949 /nfs/dbraw/zinc/93/49/49/1101934949.db2.gz CVGPCQXZGZDSTK-UHFFFAOYSA-N 0 0 310.397 3.102 20 10 DGCDRN Cn1c(=O)cnc2ccc(-c3cccnc3C(F)(F)F)cc21 ZINC001242375033 1102087661 /nfs/dbraw/zinc/08/76/61/1102087661.db2.gz VWPFWBOAXRUYRR-UHFFFAOYSA-N 0 0 305.259 3.014 20 10 DGCDRN COc1ncc(-c2ccn(Cc3cccc(F)c3)c(=O)c2)cc1C ZINC001242432119 1102129667 /nfs/dbraw/zinc/12/96/67/1102129667.db2.gz MCPOUQAMLSUZFK-UHFFFAOYSA-N 0 0 324.355 3.415 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1noc(Cl)c1C ZINC001199671887 1102177923 /nfs/dbraw/zinc/17/79/23/1102177923.db2.gz CFRZQZKYYZLJSX-UHFFFAOYSA-N 0 0 321.808 3.365 20 10 DGCDRN Cn1ccc2ccc(-c3cnn(CC(=O)OC(C)(C)C)c3)cc21 ZINC001242789064 1102344093 /nfs/dbraw/zinc/34/40/93/1102344093.db2.gz KLBNHVOMNWBZJP-UHFFFAOYSA-N 0 0 311.385 3.384 20 10 DGCDRN CCc1ccccc1NC(=S)NCc1cccc2ccnn21 ZINC001201150787 1102501393 /nfs/dbraw/zinc/50/13/93/1102501393.db2.gz KTRXUQAXRSANAD-UHFFFAOYSA-N 0 0 310.426 3.383 20 10 DGCDRN Cc1cc2c(cccc2-c2cccnc2N2CCOCC2)n1C ZINC001243463114 1102737576 /nfs/dbraw/zinc/73/75/76/1102737576.db2.gz OGIKMKCMCFMTJH-UHFFFAOYSA-N 0 0 307.397 3.385 20 10 DGCDRN O=C(Nc1ccc(F)cc1F)N1CCc2cccc(O)c2C1 ZINC001202017845 1102782271 /nfs/dbraw/zinc/78/22/71/1102782271.db2.gz VUUZXDKGBNHPBF-UHFFFAOYSA-N 0 0 304.296 3.261 20 10 DGCDRN CN(C)c1ccc(CNc2ccc3c(=O)cc[nH]c3c2)cc1F ZINC001202328315 1102946371 /nfs/dbraw/zinc/94/63/71/1102946371.db2.gz GXSUVZOJGWUAQX-UHFFFAOYSA-N 0 0 311.360 3.345 20 10 DGCDRN CCN(CC)C(=O)c1ccc(-c2nccc3c2ccn3C)cn1 ZINC001243763523 1102964704 /nfs/dbraw/zinc/96/47/04/1102964704.db2.gz QWZITJKLNIRISB-UHFFFAOYSA-N 0 0 308.385 3.117 20 10 DGCDRN CCN(c1ccccc1)c1cc(-c2ccc(=O)n(CC)c2)ncn1 ZINC001243835523 1103000643 /nfs/dbraw/zinc/00/06/43/1103000643.db2.gz KHLWFZKENHFJAR-UHFFFAOYSA-N 0 0 320.396 3.483 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)C2(Oc3ccccc3)CC2)cc1 ZINC001326231018 1103240874 /nfs/dbraw/zinc/24/08/74/1103240874.db2.gz KKIFUYHKEIRIHF-UHFFFAOYSA-N 0 0 324.424 3.323 20 10 DGCDRN COc1ccncc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000688916609 1103274722 /nfs/dbraw/zinc/27/47/22/1103274722.db2.gz ZAOMACTUZPNUIZ-UHFFFAOYSA-N 0 0 313.184 3.392 20 10 DGCDRN Nc1cc(Cl)ccc1-c1ccn(Cc2cccnc2)c(=O)c1 ZINC001244202937 1103279074 /nfs/dbraw/zinc/27/90/74/1103279074.db2.gz YALSJLYUHZAHMY-UHFFFAOYSA-N 0 0 311.772 3.194 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCC[C@H](F)C1 ZINC001326752577 1103428037 /nfs/dbraw/zinc/42/80/37/1103428037.db2.gz OSFMEABLPIQGJF-LSDHHAIUSA-N 0 0 307.413 3.141 20 10 DGCDRN Cc1ccc(Nc2cnc(N)nc2)c(C(=O)c2ccccc2)c1 ZINC001212966446 1103466535 /nfs/dbraw/zinc/46/65/35/1103466535.db2.gz XZBBJGCSWCCXEG-UHFFFAOYSA-N 0 0 304.353 3.342 20 10 DGCDRN Cc1cc(-c2nnc([C@@H]3CCO[C@H]3C)o2)c(C)n1-c1ccccn1 ZINC001327071502 1103512961 /nfs/dbraw/zinc/51/29/61/1103512961.db2.gz NHCWQFQHUQINAP-UONOGXRCSA-N 0 0 324.384 3.432 20 10 DGCDRN COc1cnc(F)c(-c2cc(N(C)c3ccccc3)ncn2)c1 ZINC001245063214 1103835839 /nfs/dbraw/zinc/83/58/39/1103835839.db2.gz XQQOBLPRHHEVQH-UHFFFAOYSA-N 0 0 310.332 3.454 20 10 DGCDRN Nc1c(Cl)cccc1-c1ccn(Cc2ccccn2)c(=O)c1 ZINC001245180412 1103892907 /nfs/dbraw/zinc/89/29/07/1103892907.db2.gz GWEAENCXCSTXGR-UHFFFAOYSA-N 0 0 311.772 3.194 20 10 DGCDRN O=C(N[C@H](c1ccc(F)cc1F)C1CC1)c1cccc(O)c1O ZINC001137068243 1103951712 /nfs/dbraw/zinc/95/17/12/1103951712.db2.gz BCUGBHDPYTWREL-HNNXBMFYSA-N 0 0 319.307 3.257 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCC[C@@H](F)C1 ZINC001328656040 1104012797 /nfs/dbraw/zinc/01/27/97/1104012797.db2.gz CVHBMCIKBIFAEU-VXGBXAGGSA-N 0 0 300.761 3.126 20 10 DGCDRN Cc1ccc(O)c(CNS(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC001328768284 1104063016 /nfs/dbraw/zinc/06/30/16/1104063016.db2.gz DCYFRXJBMBTKIJ-UHFFFAOYSA-N 0 0 319.426 3.104 20 10 DGCDRN CC(=O)Nc1ccc(-c2cc(N(C)c3ccccc3)ncn2)cn1 ZINC001245515182 1104098245 /nfs/dbraw/zinc/09/82/45/1104098245.db2.gz XJIVTDUMOWDEOU-UHFFFAOYSA-N 0 0 319.368 3.265 20 10 DGCDRN CC(C)(C)c1ccc(OC[C@@H](O)CNc2ccc(N)cc2)cc1 ZINC001245961189 1104340272 /nfs/dbraw/zinc/34/02/72/1104340272.db2.gz GFFSSVPIEPPMAL-KRWDZBQOSA-N 0 0 314.429 3.418 20 10 DGCDRN COc1ccc(N2CC[C@@]3(CCN(CC=C(C)C)C3=O)C2)cc1 ZINC001274789409 1104493143 /nfs/dbraw/zinc/49/31/43/1104493143.db2.gz ARFZZCVYQZJXJC-IBGZPJMESA-N 0 0 314.429 3.090 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1 ZINC001330265177 1104524503 /nfs/dbraw/zinc/52/45/03/1104524503.db2.gz JQPAXZFTCNHGDL-UTUOFQBUSA-N 0 0 322.315 3.013 20 10 DGCDRN CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2c1ccc(OC)cc1C ZINC001274875469 1104528024 /nfs/dbraw/zinc/52/80/24/1104528024.db2.gz WQLZZCJBVOZGCQ-QZTJIDSGSA-N 0 0 316.445 3.373 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2noc(Cc3cc[nH]n3)n2)cc1 ZINC001247110668 1104805173 /nfs/dbraw/zinc/80/51/73/1104805173.db2.gz CZUMJLKEAZNHNY-UHFFFAOYSA-N 0 0 319.368 3.458 20 10 DGCDRN Oc1ccc(Cc2nc(-c3ccc4ncccc4c3)no2)cc1O ZINC001247959181 1105021233 /nfs/dbraw/zinc/02/12/33/1105021233.db2.gz LCLNSOAHKBZCTF-UHFFFAOYSA-N 0 0 319.320 3.287 20 10 DGCDRN Cc1cc(-c2noc(Cc3ccc(O)c(O)c3)n2)cc(C)c1F ZINC001247958907 1105021698 /nfs/dbraw/zinc/02/16/98/1105021698.db2.gz ISUSGEOHIWAHOW-UHFFFAOYSA-N 0 0 314.316 3.495 20 10 DGCDRN Oc1ccc(Cc2nc(-c3ccccc3Cl)no2)cc1O ZINC001247959760 1105021806 /nfs/dbraw/zinc/02/18/06/1105021806.db2.gz WNZMKBRIXQAOMN-UHFFFAOYSA-N 0 0 302.717 3.392 20 10 DGCDRN Cc1cc(F)c(F)c(-c2noc(Cc3ccc(N)cc3)n2)c1 ZINC001248183739 1105062979 /nfs/dbraw/zinc/06/29/79/1105062979.db2.gz LQEGAOPCHCHRKM-UHFFFAOYSA-N 0 0 301.296 3.496 20 10 DGCDRN CCOc1ccnc(CNC(=S)Nc2cc(F)ccc2F)c1 ZINC001248624783 1105138992 /nfs/dbraw/zinc/13/89/92/1105138992.db2.gz IWBJDILCYJTHJA-UHFFFAOYSA-N 0 0 323.368 3.245 20 10 DGCDRN Cc1cc(F)ccc1-c1noc(CCc2ccc(O)c(O)c2)n1 ZINC001248983180 1105209161 /nfs/dbraw/zinc/20/91/61/1105209161.db2.gz BGCFGWUKNDNTLR-UHFFFAOYSA-N 0 0 314.316 3.381 20 10 DGCDRN C[C@@H]1CC(=O)CCN1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249223403 1105249938 /nfs/dbraw/zinc/24/99/38/1105249938.db2.gz FBOSLVSMUOPYPY-GFCCVEGCSA-N 0 0 301.386 3.130 20 10 DGCDRN Oc1cccc2c1CN(Cc1csc(-c3ccncc3)n1)CC2 ZINC001249305382 1105264922 /nfs/dbraw/zinc/26/49/22/1105264922.db2.gz RETQFKPNSULGCI-UHFFFAOYSA-N 0 0 323.421 3.469 20 10 DGCDRN CCc1cccc(C)c1NC(=S)NCc1cccc(OC)n1 ZINC001249572998 1105318570 /nfs/dbraw/zinc/31/85/70/1105318570.db2.gz VTBCPMHFPPCIRK-UHFFFAOYSA-N 0 0 315.442 3.448 20 10 DGCDRN CCc1cccc(C)c1NC(=S)NCc1ccc(O)cc1O ZINC001249573350 1105318805 /nfs/dbraw/zinc/31/88/05/1105318805.db2.gz AGRCZHWDHFBUJQ-UHFFFAOYSA-N 0 0 316.426 3.455 20 10 DGCDRN Cc1cc(CN2CC(F)(C3CC3)C2)c(O)cc1Br ZINC001250120515 1105445620 /nfs/dbraw/zinc/44/56/20/1105445620.db2.gz GXPNMQKDKUCHKO-UHFFFAOYSA-N 0 0 314.198 3.397 20 10 DGCDRN COc1ccc(F)c(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001137303401 1105474299 /nfs/dbraw/zinc/47/42/99/1105474299.db2.gz WUTQJJYYRYSPOU-UHFFFAOYSA-N 0 0 316.292 3.249 20 10 DGCDRN CCCCCC[C@@H](O)CCC(=O)N(C)Cc1ccccc1O ZINC001137345614 1105493517 /nfs/dbraw/zinc/49/35/17/1105493517.db2.gz PKOHIJLVPFBCKZ-MRXNPFEDSA-N 0 0 307.434 3.462 20 10 DGCDRN COc1cc(-c2nc3cc(F)c(Cl)cc3[nH]2)cc(O)c1O ZINC001250488853 1105523994 /nfs/dbraw/zinc/52/39/94/1105523994.db2.gz PRNXPOCPNFFGKM-UHFFFAOYSA-N 0 0 308.696 3.442 20 10 DGCDRN Cc1cccc2c1nc(-c1ccc(N3CCOCC3)cc1)n2C ZINC001250703008 1105563788 /nfs/dbraw/zinc/56/37/88/1105563788.db2.gz WPKQKQVWAXNLAO-UHFFFAOYSA-N 0 0 307.397 3.385 20 10 DGCDRN Cc1ccc2[nH]c(-c3ccc(N4CCC(O)CC4)cc3)nc2c1 ZINC001250857792 1105594918 /nfs/dbraw/zinc/59/49/18/1105594918.db2.gz LZOLKMCXXZFPCT-UHFFFAOYSA-N 0 0 307.397 3.499 20 10 DGCDRN Cc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccccc2O)c(C)c1 ZINC001251508373 1105664862 /nfs/dbraw/zinc/66/48/62/1105664862.db2.gz DIDRHRHLLIWVNK-AWEZNQCLSA-N 0 0 319.426 3.357 20 10 DGCDRN O=S(=O)(Nc1ccc(O)c(F)c1F)c1ccc(Cl)cc1 ZINC001251733105 1105688129 /nfs/dbraw/zinc/68/81/29/1105688129.db2.gz VSFKNFUKXICDAD-UHFFFAOYSA-N 0 0 319.716 3.125 20 10 DGCDRN O=S(=O)(Nc1cc(F)c(O)c(F)c1)c1ccc(Cl)cc1 ZINC001251735658 1105688463 /nfs/dbraw/zinc/68/84/63/1105688463.db2.gz SGSNYHITFNMPJJ-UHFFFAOYSA-N 0 0 319.716 3.125 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC1CC(C)C1 ZINC001251988306 1105719450 /nfs/dbraw/zinc/71/94/50/1105719450.db2.gz IHELFUVEGAUFTN-OGVSOVDVSA-N 0 0 317.477 3.337 20 10 DGCDRN CC(C)OC[C@H](O)CNc1cccc2c1C(=O)c1ccccc1-2 ZINC001252687001 1105816309 /nfs/dbraw/zinc/81/63/09/1105816309.db2.gz LWAKGBJNJGONHT-CYBMUJFWSA-N 0 0 311.381 3.096 20 10 DGCDRN COc1ccc2[nH]c(C)c(C(=O)NCc3ccccc3O)c2c1 ZINC001253393372 1105934074 /nfs/dbraw/zinc/93/40/74/1105934074.db2.gz NZRMEEKTJXEUOW-UHFFFAOYSA-N 0 0 310.353 3.121 20 10 DGCDRN COc1ccc(C(=O)c2ccccc2NC[C@H](O)C(C)C)cc1 ZINC001253774459 1105984315 /nfs/dbraw/zinc/98/43/15/1105984315.db2.gz QXUQCYXNMHQFLQ-SFHVURJKSA-N 0 0 313.397 3.355 20 10 DGCDRN Oc1ccc(Cc2nnc(Cc3ccccc3Cl)o2)cc1O ZINC001254355885 1106059054 /nfs/dbraw/zinc/05/90/54/1106059054.db2.gz AHJBSPKECHRMKO-UHFFFAOYSA-N 0 0 316.744 3.316 20 10 DGCDRN Oc1ccc(-c2nnc([C@@H]3C[C@@H]3c3ccccc3)o2)c(O)c1O ZINC001254512673 1106089101 /nfs/dbraw/zinc/08/91/01/1106089101.db2.gz KNYMFMOXTCWMDY-VXGBXAGGSA-N 0 0 310.309 3.125 20 10 DGCDRN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(O)c(F)c2F)c1 ZINC001254772413 1106140071 /nfs/dbraw/zinc/14/00/71/1106140071.db2.gz UOQRWXNSACLIFP-UHFFFAOYSA-N 0 0 313.325 3.088 20 10 DGCDRN N#[N+][N-]S(=O)(=O)c1ccc(-c2nnc(C3CCC3)o2)cc1 ZINC001255257535 1106211980 /nfs/dbraw/zinc/21/19/80/1106211980.db2.gz UDIIAOYMHRGWSI-UHFFFAOYSA-N 0 0 305.319 3.003 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NC[C@]23C[C@H]2CCCC3)cc1 ZINC001255449662 1106251776 /nfs/dbraw/zinc/25/17/76/1106251776.db2.gz ULETZTMUQGAQRU-APWZRJJASA-N 0 0 315.461 3.474 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC001256176678 1106384265 /nfs/dbraw/zinc/38/42/65/1106384265.db2.gz WZDKZODXYFJWBC-UHFFFAOYSA-N 0 0 318.676 3.037 20 10 DGCDRN O=S(=O)(Nc1c(F)cc(O)cc1F)c1ccccc1Cl ZINC001256323043 1106406369 /nfs/dbraw/zinc/40/63/69/1106406369.db2.gz RWDDLHRKBXJVKR-UHFFFAOYSA-N 0 0 319.716 3.125 20 10 DGCDRN c1ccn(-c2ccc(-c3nnc(CC4CCOCC4)o3)cc2)c1 ZINC001256935979 1106513970 /nfs/dbraw/zinc/51/39/70/1106513970.db2.gz WSNAELHJYAVPQO-UHFFFAOYSA-N 0 0 309.369 3.496 20 10 DGCDRN CCn1cncc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256940439 1106514615 /nfs/dbraw/zinc/51/46/15/1106514615.db2.gz FSSRDHRVYMDKLP-UHFFFAOYSA-N 0 0 305.341 3.411 20 10 DGCDRN Cc1cnc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)cn1 ZINC001256940233 1106514651 /nfs/dbraw/zinc/51/46/51/1106514651.db2.gz CDDQQARTUDQGPY-UHFFFAOYSA-N 0 0 303.325 3.293 20 10 DGCDRN O=c1ccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)n[nH]1 ZINC001256970589 1106518627 /nfs/dbraw/zinc/51/86/27/1106518627.db2.gz XDRWABYHLJJRSA-ZDUSSCGKSA-N 0 0 305.297 3.117 20 10 DGCDRN Cc1ncncc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256974420 1106518982 /nfs/dbraw/zinc/51/89/82/1106518982.db2.gz BEDNFQZRQXRXKR-UHFFFAOYSA-N 0 0 303.325 3.293 20 10 DGCDRN Cc1nccnc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256978467 1106519635 /nfs/dbraw/zinc/51/96/35/1106519635.db2.gz KXPGNLFXOCBGRA-UHFFFAOYSA-N 0 0 303.325 3.293 20 10 DGCDRN CCn1cnc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)c1 ZINC001256978271 1106519695 /nfs/dbraw/zinc/51/96/95/1106519695.db2.gz FEBUKVYXLZZHHD-UHFFFAOYSA-N 0 0 305.341 3.411 20 10 DGCDRN OCc1ccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)cn1 ZINC001256978345 1106519716 /nfs/dbraw/zinc/51/97/16/1106519716.db2.gz GMZVNFCYQVGVDJ-UHFFFAOYSA-N 0 0 318.336 3.082 20 10 DGCDRN Cc1cn(C)nc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256978272 1106519734 /nfs/dbraw/zinc/51/97/34/1106519734.db2.gz FETFIDWLVIRLTO-UHFFFAOYSA-N 0 0 305.341 3.236 20 10 DGCDRN O=c1[nH]c(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)ccc1F ZINC001256981390 1106520374 /nfs/dbraw/zinc/52/03/74/1106520374.db2.gz LNANQCYDTDMBCP-UHFFFAOYSA-N 0 0 322.299 3.434 20 10 DGCDRN O=c1[nH]c(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)ccc1O ZINC001256981086 1106520555 /nfs/dbraw/zinc/52/05/55/1106520555.db2.gz JSXYUFUMKTUDOB-UHFFFAOYSA-N 0 0 320.308 3.001 20 10 DGCDRN Oc1cc(-c2nnc(CCCc3ccccc3)o2)cc(O)c1O ZINC001257746899 1106625740 /nfs/dbraw/zinc/62/57/40/1106625740.db2.gz LGWBOGYPTKLRAT-UHFFFAOYSA-N 0 0 312.325 3.029 20 10 DGCDRN CCCCC[C@@H](CC)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OC ZINC001258430538 1106741260 /nfs/dbraw/zinc/74/12/60/1106741260.db2.gz PETZZZCEISKWGC-CABCVRRESA-N 0 0 323.433 3.130 20 10 DGCDRN c1cc(N2CCCC2)ccc1CNc1nnc([C@@H]2CCCO2)o1 ZINC001320684857 1107104747 /nfs/dbraw/zinc/10/47/47/1107104747.db2.gz IDNPSHMEEOMRSS-HNNXBMFYSA-N 0 0 314.389 3.133 20 10 DGCDRN O=C(/C=C\Sc1ccccc1)NCc1ccc(O)cc1O ZINC001299572142 1107122627 /nfs/dbraw/zinc/12/26/27/1107122627.db2.gz BYYOLJLMBCIUTK-HJWRWDBZSA-N 0 0 301.367 3.020 20 10 DGCDRN Cc1c(C)c(NS(=O)(=O)c2cc(F)cc(F)c2)ccc1O ZINC001259312089 1107123160 /nfs/dbraw/zinc/12/31/60/1107123160.db2.gz OJDKYPOHAHGUIX-UHFFFAOYSA-N 0 0 313.325 3.088 20 10 DGCDRN C[C@@H](Cc1ccccc1Cl)C(=O)NCc1ccc(O)cc1O ZINC001299573960 1107123252 /nfs/dbraw/zinc/12/32/52/1107123252.db2.gz MECISPKRFLYZDP-NSHDSACASA-N 0 0 319.788 3.246 20 10 DGCDRN Cc1cc(F)ccc1S(=O)(=O)Nc1c(C)cc(O)cc1C ZINC001259491231 1107150919 /nfs/dbraw/zinc/15/09/19/1107150919.db2.gz PHIJCLQJJZPDBF-UHFFFAOYSA-N 0 0 309.362 3.257 20 10 DGCDRN CCN(Cc1ccccc1O)S(=O)(=O)c1cc(C)cc(C)c1 ZINC001259522375 1107157985 /nfs/dbraw/zinc/15/79/85/1107157985.db2.gz YCBPCSKOSHWQTL-UHFFFAOYSA-N 0 0 319.426 3.220 20 10 DGCDRN Cc1cc(O)c(CN2CC(C(=O)OC(C)(C)C)C2)cc1Cl ZINC001474751679 1107159825 /nfs/dbraw/zinc/15/98/25/1107159825.db2.gz PRVZKZOEOXQVFT-UHFFFAOYSA-N 0 0 311.809 3.128 20 10 DGCDRN COc1ccc(O)c(CN(C)Cc2cc(C(C)(C)C)n[nH]2)c1 ZINC001320893474 1107178640 /nfs/dbraw/zinc/17/86/40/1107178640.db2.gz LWMAXAMBIBHFAP-UHFFFAOYSA-N 0 0 303.406 3.053 20 10 DGCDRN C/C=C(\CC)C(=O)N1CCN(c2ccc(OCC)cc2)CC1 ZINC001321012651 1107220790 /nfs/dbraw/zinc/22/07/90/1107220790.db2.gz XVNKCKVVGYCKFL-SYZQJQIISA-N 0 0 302.418 3.090 20 10 DGCDRN COc1ccc(S(=O)(=O)Nc2c(C)cc(O)cc2C)cc1C ZINC001260638640 1107289184 /nfs/dbraw/zinc/28/91/84/1107289184.db2.gz UWGYMLJKOYFZRH-UHFFFAOYSA-N 0 0 321.398 3.127 20 10 DGCDRN Cc1cccc(S(=O)(=O)Nc2cc(F)c(O)cc2F)c1C ZINC001260999415 1107341299 /nfs/dbraw/zinc/34/12/99/1107341299.db2.gz UMIIFXJIQHBQQR-UHFFFAOYSA-N 0 0 313.325 3.088 20 10 DGCDRN COc1ccc(CNc2nc(C3CC3)nc3c2CCC3)c(O)c1 ZINC001321549000 1107377994 /nfs/dbraw/zinc/37/79/94/1107377994.db2.gz ZVQIDHXQVBLVLG-UHFFFAOYSA-N 0 0 311.385 3.169 20 10 DGCDRN CC(C)c1nnc2n1CCN(Cc1ccc(Cl)cc1O)[C@@H]2C ZINC001474762707 1107435908 /nfs/dbraw/zinc/43/59/08/1107435908.db2.gz UQEPJVRVCIWAPA-LLVKDONJSA-N 0 0 320.824 3.337 20 10 DGCDRN Cc1noc([C@@H](C)N(C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001261554111 1107463757 /nfs/dbraw/zinc/46/37/57/1107463757.db2.gz UJPOHABCUJPALE-CYBMUJFWSA-N 0 0 300.406 3.171 20 10 DGCDRN CS[C@H]1CCC[C@H](NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC001261962152 1107565329 /nfs/dbraw/zinc/56/53/29/1107565329.db2.gz MTRMBTXLAUSBAL-STQMWFEESA-N 0 0 306.431 3.092 20 10 DGCDRN CSCc1nnc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)[n-]1 ZINC001262077539 1107605108 /nfs/dbraw/zinc/60/51/08/1107605108.db2.gz GZFWGAJYIWFXNX-GHMZBOCLSA-N 0 0 318.446 3.020 20 10 DGCDRN Cc1noc(C2(NCc3ccc(N4CCCCC4)cc3)CC2)n1 ZINC001262377872 1107707500 /nfs/dbraw/zinc/70/75/00/1107707500.db2.gz KNBATCOZCVFLAL-UHFFFAOYSA-N 0 0 312.417 3.147 20 10 DGCDRN CC(C)CN1C(=O)c2ccccc2N[C@H]1c1cc(O)ccc1O ZINC001317888843 1107737549 /nfs/dbraw/zinc/73/75/49/1107737549.db2.gz BRFCGWLPRMHVQP-QGZVFWFLSA-N 0 0 312.369 3.320 20 10 DGCDRN Cc1cc(F)cc(NCc2ccc(N3CCOCC3)c(F)c2)n1 ZINC001262679121 1107777018 /nfs/dbraw/zinc/77/70/18/1107777018.db2.gz BRMSFYMDTDHTHQ-UHFFFAOYSA-N 0 0 319.355 3.117 20 10 DGCDRN CC(=O)[C@@H]1C[C@H](C(=O)Nc2c3nonc3ccc2Cl)C1(C)C ZINC001323418521 1107968971 /nfs/dbraw/zinc/96/89/71/1107968971.db2.gz LCYXKUWIHCCAQR-DTWKUNHWSA-N 0 0 321.764 3.066 20 10 DGCDRN O=C(NCc1ccccc1O)NC[C@H]1C[C@H]1Cc1ccccc1 ZINC001263285457 1107998408 /nfs/dbraw/zinc/99/84/08/1107998408.db2.gz HMQKXPVBHDBNGW-IAGOWNOFSA-N 0 0 310.397 3.070 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCc1cccc(Cl)c1F ZINC001323568957 1108016611 /nfs/dbraw/zinc/01/66/11/1108016611.db2.gz HBWZNEBHFAJIBU-FNORWQNLSA-N 0 0 321.735 3.220 20 10 DGCDRN C[C@@H](CC(N)=O)c1ccc(NCc2cccc(F)c2O)cc1 ZINC001474722923 1108034205 /nfs/dbraw/zinc/03/42/05/1108034205.db2.gz QTCDBDOIFYVBHS-NSHDSACASA-N 0 0 302.349 3.122 20 10 DGCDRN C[C@H](Nc1ccc(CCC(N)=O)cc1)c1cc(F)cc(F)c1O ZINC001323829453 1108098261 /nfs/dbraw/zinc/09/82/61/1108098261.db2.gz JIJZRCLHUBFMPJ-JTQLQIEISA-N 0 0 320.339 3.261 20 10 DGCDRN O=C1C=CSC1c1nnc(N2CCCCC2)n1CC1CC1 ZINC001263681217 1108155963 /nfs/dbraw/zinc/15/59/63/1108155963.db2.gz HBAMPLJOEWUBBN-UHFFFAOYSA-N 0 0 304.419 3.113 20 10 DGCDRN CCc1ccnc(C(=O)Nc2c3nonc3ccc2Cl)c1 ZINC001324139532 1108187750 /nfs/dbraw/zinc/18/77/50/1108187750.db2.gz CDQSKWGDVRCQOW-UHFFFAOYSA-N 0 0 302.721 3.086 20 10 DGCDRN O=C(NCc1cccc(O)c1O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC001263894365 1108287087 /nfs/dbraw/zinc/28/70/87/1108287087.db2.gz CWJLEDJOSMTJES-OXQOHEQNSA-N 0 0 323.392 3.008 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)C[C@H]3C=CCC3)CC2)cc1 ZINC001319381922 1108438973 /nfs/dbraw/zinc/43/89/73/1108438973.db2.gz WAFRYAOZJAPPKZ-INIZCTEOSA-N 0 0 314.429 3.090 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cscn1 ZINC001264287430 1108455506 /nfs/dbraw/zinc/45/55/06/1108455506.db2.gz XMSADJZLPUORLH-UHFFFAOYSA-N 0 0 301.415 3.016 20 10 DGCDRN O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cc3c(cc1O)CCC3)CC2 ZINC001319562719 1108528495 /nfs/dbraw/zinc/52/84/95/1108528495.db2.gz WFEBYYRTQSSZOQ-UHFFFAOYSA-N 0 0 324.380 3.347 20 10 DGCDRN CC[C@H]1CN(Cc2ccc(Br)cc2O)[C@@H](C)CO1 ZINC000701194740 1108903028 /nfs/dbraw/zinc/90/30/28/1108903028.db2.gz WJGYQVMVLJUBST-GWCFXTLKSA-N 0 0 314.223 3.154 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NCc2ccccc2Cl)cc1 ZINC001290107372 1110236238 /nfs/dbraw/zinc/23/62/38/1110236238.db2.gz JJLASDIVOOHQKK-UHFFFAOYSA-N 0 0 316.748 3.432 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Cc2ccc3cnccc3c2)c1 ZINC001301047286 1111080095 /nfs/dbraw/zinc/08/00/95/1111080095.db2.gz VTBFAOFIYBSIOW-UHFFFAOYSA-N 0 0 306.365 3.108 20 10 DGCDRN COc1ccc2[nH]c(C(=O)N[C@@H](C)c3ccccc3O)cc2c1 ZINC001302538237 1111117486 /nfs/dbraw/zinc/11/74/86/1111117486.db2.gz KQVUXDHZIDKQMD-NSHDSACASA-N 0 0 310.353 3.373 20 10 DGCDRN CC(C)(C(=O)NCc1cccc(O)c1O)c1cccc(Cl)c1 ZINC001303195616 1111136718 /nfs/dbraw/zinc/13/67/18/1111136718.db2.gz XPYQBKNNMYIKRY-UHFFFAOYSA-N 0 0 319.788 3.345 20 10 DGCDRN Cc1cc(C)c(/C=C/C(=O)NCc2cc(O)ccc2O)cc1C ZINC001303225479 1111137467 /nfs/dbraw/zinc/13/74/67/1111137467.db2.gz IYAYUWXHUDZQTP-QPJJXVBHSA-N 0 0 311.381 3.353 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)[C@@H]1COc2ccccc21 ZINC001304089677 1111165710 /nfs/dbraw/zinc/16/57/10/1111165710.db2.gz GHHHDNTXVWPTLU-QGZVFWFLSA-N 0 0 319.360 3.338 20 10 DGCDRN CCn1nc(C)c(C(=O)NCc2c(O)ccc3ccccc32)c1C ZINC001304090340 1111165799 /nfs/dbraw/zinc/16/57/99/1111165799.db2.gz ZOQYXJYNTWXYLQ-UHFFFAOYSA-N 0 0 323.396 3.309 20 10 DGCDRN CCc1nc(C)ncc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001304089758 1111165810 /nfs/dbraw/zinc/16/58/10/1111165810.db2.gz KLORSTFCGDLRAU-UHFFFAOYSA-N 0 0 321.380 3.136 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1ccc2nccn2c1 ZINC001304089593 1111165994 /nfs/dbraw/zinc/16/59/94/1111165994.db2.gz CQOVOTIRHZEVGG-UHFFFAOYSA-N 0 0 317.348 3.123 20 10 DGCDRN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CC[C@@H](F)C1 ZINC001304794496 1111182838 /nfs/dbraw/zinc/18/28/38/1111182838.db2.gz LCPJNBVEAZWVGQ-UKRRQHHQSA-N 0 0 318.396 3.067 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1nc2ccccc2nc1F ZINC001307092288 1111264263 /nfs/dbraw/zinc/26/42/63/1111264263.db2.gz XWQWZCGOZBNGOP-SNVBAGLBSA-N 0 0 313.332 3.223 20 10 DGCDRN C[C@H](Nc1cc(C(F)(F)F)nc2ncnn21)c1ccccc1O ZINC001307188060 1111276656 /nfs/dbraw/zinc/27/66/56/1111276656.db2.gz JSLUXCPYFZSKFI-QMMMGPOBSA-N 0 0 323.278 3.022 20 10 DGCDRN Cc1nc(-c2ccncc2)nc(NCc2c(O)cccc2F)c1C ZINC001307214441 1111279722 /nfs/dbraw/zinc/27/97/22/1111279722.db2.gz DSIKCMJARJIXQA-UHFFFAOYSA-N 0 0 324.359 3.034 20 10 DGCDRN C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)cc1F ZINC001308285554 1111410491 /nfs/dbraw/zinc/41/04/91/1111410491.db2.gz IXSBXOQCHISQKY-SNVBAGLBSA-N 0 0 322.311 3.472 20 10 DGCDRN Cn1c2cc(NCc3ccc(N4CCCC4)cc3)ccc2oc1=O ZINC001308315045 1111415713 /nfs/dbraw/zinc/41/57/13/1111415713.db2.gz PGEHBNRJILOGSJ-UHFFFAOYSA-N 0 0 323.396 3.344 20 10 DGCDRN CCOC(OCC)[C@@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001308558274 1111444031 /nfs/dbraw/zinc/44/40/31/1111444031.db2.gz HLCKJYYNXWKFFY-SECBINFHSA-N 0 0 305.777 3.062 20 10 DGCDRN COc1ccc(N2CCN(Cc3cc(C)co3)CC2)cc1F ZINC001308584183 1111447607 /nfs/dbraw/zinc/44/76/07/1111447607.db2.gz TUELDLQBINFSBL-UHFFFAOYSA-N 0 0 304.365 3.058 20 10 DGCDRN COc1ccc2c(c1)C[N@@H+](Cc1cc(F)cc(F)c1[O-])CC2 ZINC001308590345 1111448481 /nfs/dbraw/zinc/44/84/81/1111448481.db2.gz SZTVZVYLVLZHKD-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN COc1ccc(C[N@H+](C)Cc2cc(F)cc(F)c2[O-])c(OC)c1 ZINC001308660028 1111456706 /nfs/dbraw/zinc/45/67/06/1111456706.db2.gz JVCFKXBJLVWTER-UHFFFAOYSA-N 0 0 323.339 3.320 20 10 DGCDRN Cc1cc(CN2CCOc3cc(N(C)C)ccc32)cc(C)c1O ZINC001308668074 1111458121 /nfs/dbraw/zinc/45/81/21/1111458121.db2.gz MOUFHGKAAGAWOX-UHFFFAOYSA-N 0 0 312.413 3.474 20 10 DGCDRN COC(=O)[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])CC(C)C ZINC001308795187 1111476721 /nfs/dbraw/zinc/47/67/21/1111476721.db2.gz PZZXZFQWWZRXFA-NSHDSACASA-N 0 0 317.788 3.110 20 10 DGCDRN COc1c([O-])c(C[NH2+]CC2C[C@@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC001308858122 1111485592 /nfs/dbraw/zinc/48/55/92/1111485592.db2.gz ZYDCILHMOQVAPB-RYUDHWBXSA-N 0 0 322.405 3.471 20 10 DGCDRN Cc1nc2c(cccc2CC[NH2+]Cc2ccc(F)c(F)c2[O-])o1 ZINC001308932765 1111495754 /nfs/dbraw/zinc/49/57/54/1111495754.db2.gz SBOAVXBFBGEECA-UHFFFAOYSA-N 0 0 318.323 3.452 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC001308947665 1111497667 /nfs/dbraw/zinc/49/76/67/1111497667.db2.gz OBRPNBOCXWDUEJ-GJZGRUSLSA-N 0 0 316.351 3.134 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCC2(CC3CC3)CC2)cc1 ZINC001311546091 1111607142 /nfs/dbraw/zinc/60/71/42/1111607142.db2.gz RKIUFCWRDNVUEN-UHFFFAOYSA-N 0 0 301.434 3.132 20 10 DGCDRN C[C@@H](NC(=O)NCc1cc(Cl)ccc1O)c1ccns1 ZINC001313107427 1111695160 /nfs/dbraw/zinc/69/51/60/1111695160.db2.gz TUPNNCAJCIOPTN-MRVPVSSYSA-N 0 0 311.794 3.063 20 10 DGCDRN C[C@@H](COCC1CCCCC1)NC(=O)NCc1ccccc1O ZINC001313323276 1111708043 /nfs/dbraw/zinc/70/80/43/1111708043.db2.gz GEXUIBFSBSXCAC-AWEZNQCLSA-N 0 0 320.433 3.177 20 10 DGCDRN Cc1cc(F)ccc1CCNC(=O)N(C)Cc1ccccc1O ZINC000088617917 185260336 /nfs/dbraw/zinc/26/03/36/185260336.db2.gz QNJNWZUUYLCHLC-UHFFFAOYSA-N 0 0 316.376 3.224 20 10 DGCDRN CN(C)c1ccc(CN(C)c2ncc([N+](=O)[O-])cc2Cl)cc1 ZINC000301250979 529779865 /nfs/dbraw/zinc/77/98/65/529779865.db2.gz BJADNMQFRPTJEN-UHFFFAOYSA-N 0 0 320.780 3.346 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCCC1(C)C ZINC000476678809 282295181 /nfs/dbraw/zinc/29/51/81/282295181.db2.gz UUPBJMHDYILOJD-AWEZNQCLSA-N 0 0 302.418 3.304 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2cc[nH]c2c1 ZINC000173201878 282296370 /nfs/dbraw/zinc/29/63/70/282296370.db2.gz XQCHUVWEHCJOHF-UHFFFAOYSA-N 0 0 321.380 3.273 20 10 DGCDRN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1cncs1 ZINC000129949930 282485607 /nfs/dbraw/zinc/48/56/07/282485607.db2.gz MOPDLHDABGLBMR-BJMVGYQFSA-N 0 0 315.423 3.476 20 10 DGCDRN CCSC1(CNC(=O)N[C@H](C)c2cc(OC)ccc2O)CC1 ZINC000852629855 620635511 /nfs/dbraw/zinc/63/55/11/620635511.db2.gz YBBUOTYBOCOICE-LLVKDONJSA-N 0 0 324.446 3.047 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2oc(C)nc2C)cc1 ZINC000072985188 191265963 /nfs/dbraw/zinc/26/59/63/191265963.db2.gz KXRZEPPSFRNSEO-UHFFFAOYSA-N 0 0 301.390 3.068 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1scnc1C(C)(C)C ZINC000080066318 191998896 /nfs/dbraw/zinc/99/88/96/191998896.db2.gz HBWWWBIFLRGMHK-UHFFFAOYSA-N 0 0 304.415 3.418 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000179676812 432067490 /nfs/dbraw/zinc/06/74/90/432067490.db2.gz YPGLHJSRWLIUJE-UHFFFAOYSA-N 0 0 322.758 3.116 20 10 DGCDRN COc1cccc(CNC(=O)[C@@H]2C[C@H]2c2sccc2C)c1O ZINC000133594367 432068226 /nfs/dbraw/zinc/06/82/26/432068226.db2.gz YNWPWYSUDZLJBI-CHWSQXEVSA-N 0 0 317.410 3.191 20 10 DGCDRN COc1cccc(CNC(=O)[C@@H]2C[C@@H]2c2sccc2C)c1O ZINC000133594537 432068468 /nfs/dbraw/zinc/06/84/68/432068468.db2.gz YNWPWYSUDZLJBI-QWHCGFSZSA-N 0 0 317.410 3.191 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1[O-] ZINC000170789507 432081642 /nfs/dbraw/zinc/08/16/42/432081642.db2.gz ACJQWNXEHUPMRA-QWRGUYRKSA-N 0 0 320.330 3.066 20 10 DGCDRN COc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1OC ZINC000170788879 432081937 /nfs/dbraw/zinc/08/19/37/432081937.db2.gz MZYZPGLCUDVERN-LLVKDONJSA-N 0 0 305.349 3.399 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1COc2ccccc21)c1ccc(F)c(F)c1[O-] ZINC000290165766 299311502 /nfs/dbraw/zinc/31/15/02/299311502.db2.gz DMYMPRKNLQDJCW-WDEREUQCSA-N 0 0 305.324 3.497 20 10 DGCDRN COc1cccc(CN2CCO[C@H](c3cccc(F)c3)C2)c1O ZINC000092975756 193191520 /nfs/dbraw/zinc/19/15/20/193191520.db2.gz NDTCHHOMFKRJTQ-KRWDZBQOSA-N 0 0 317.360 3.113 20 10 DGCDRN CSC[C@H](C)NC(=O)NCc1c(C)c2ccccc2n1C ZINC000471891779 244264328 /nfs/dbraw/zinc/26/43/28/244264328.db2.gz BTDIIOFTPWMPIE-NSHDSACASA-N 0 0 305.447 3.037 20 10 DGCDRN CCc1ccc([C@H]2COCCN2Cc2cccc(OC)c2O)o1 ZINC000093459408 193254531 /nfs/dbraw/zinc/25/45/31/193254531.db2.gz LRCKHKNXJVYVMD-OAHLLOKOSA-N 0 0 317.385 3.130 20 10 DGCDRN Cc1ccc([C@H]2COCCN2Cc2cc(C)c(C)cc2O)o1 ZINC000093459790 193255581 /nfs/dbraw/zinc/25/55/81/193255581.db2.gz SDZRAKLMHJDSEM-MRXNPFEDSA-N 0 0 301.386 3.484 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C\c2scnc2C)cc1F ZINC000492709127 245779764 /nfs/dbraw/zinc/77/97/64/245779764.db2.gz BELBSRPLSFCQKY-SREVYHEPSA-N 0 0 306.362 3.275 20 10 DGCDRN Cc1ccncc1/C=C\C(=O)N(C)c1cnc2ccccc2n1 ZINC000493074694 245876602 /nfs/dbraw/zinc/87/66/02/245876602.db2.gz VJDXMSKJQBXXIF-FPLPWBNLSA-N 0 0 304.353 3.009 20 10 DGCDRN O=C(/C=C/c1cncs1)N(Cc1ccco1)c1ccccn1 ZINC000493153916 245899384 /nfs/dbraw/zinc/89/93/84/245899384.db2.gz BTTLWFBOUGMVTR-VOTSOKGWSA-N 0 0 311.366 3.378 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCCn1ccnc1 ZINC000020506193 182226076 /nfs/dbraw/zinc/22/60/76/182226076.db2.gz DNZCAFXKCVGIMK-UHFFFAOYSA-N 0 0 300.189 3.075 20 10 DGCDRN Cc1ncccc1/C=C\C(=O)N(C[C@@H]1CCCO1)c1ccncc1 ZINC000493822200 246076952 /nfs/dbraw/zinc/07/69/52/246076952.db2.gz MQCJAQTVRAZZGJ-MJRGOJFPSA-N 0 0 323.396 3.010 20 10 DGCDRN CCC[C@@H](C(=O)NCCc1ccc(O)c(O)c1)c1ccccc1 ZINC000098074609 193782914 /nfs/dbraw/zinc/78/29/14/193782914.db2.gz WCYVGXAPGBSJBI-MRXNPFEDSA-N 0 0 313.397 3.340 20 10 DGCDRN Oc1ccc(Br)cc1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000268882300 432146593 /nfs/dbraw/zinc/14/65/93/432146593.db2.gz YBJIGCSGICCDOX-GFCCVEGCSA-N 0 0 322.206 3.045 20 10 DGCDRN Cc1cccc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000041371827 183187420 /nfs/dbraw/zinc/18/74/20/183187420.db2.gz GIFATVZKAOSEPS-UHFFFAOYSA-N 0 0 316.426 3.396 20 10 DGCDRN COc1cccc(CNC(=O)c2ccccc2OC(C)C)c1O ZINC000106285328 194193932 /nfs/dbraw/zinc/19/39/32/194193932.db2.gz PQLWQADQLGWYEQ-UHFFFAOYSA-N 0 0 315.369 3.118 20 10 DGCDRN O=[N+]([O-])c1cccnc1N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000022357204 285165203 /nfs/dbraw/zinc/16/52/03/285165203.db2.gz MCVCEKJIYHFJBQ-UHFFFAOYSA-N 0 0 321.340 3.160 20 10 DGCDRN CSCC1CCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000296160063 533522042 /nfs/dbraw/zinc/52/20/42/533522042.db2.gz NDJCTKWPVKLTKQ-WEVVVXLNSA-N 0 0 321.442 3.149 20 10 DGCDRN Cc1cc(C(=O)NCCc2ccon2)c(C)n1-c1ccccc1C ZINC000271387068 129907378 /nfs/dbraw/zinc/90/73/78/129907378.db2.gz IHCMNOPTEKQZEY-UHFFFAOYSA-N 0 0 323.396 3.363 20 10 DGCDRN Cc1cc(C(=O)N(C)Cc2ncon2)c(C)n1-c1cccc(C)c1 ZINC000272151631 130003444 /nfs/dbraw/zinc/00/34/44/130003444.db2.gz WDXKSZXOLCAHGH-UHFFFAOYSA-N 0 0 324.384 3.058 20 10 DGCDRN CC(C)(C)OC(=O)C1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC000272238992 130011926 /nfs/dbraw/zinc/01/19/26/130011926.db2.gz GBVNJVLUNNPPLS-UHFFFAOYSA-N 0 0 309.381 3.085 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccc([S@](C)=O)cc1 ZINC000272421159 130028764 /nfs/dbraw/zinc/02/87/64/130028764.db2.gz LZCQUHNYOGHGAQ-MQJDWESPSA-N 0 0 307.390 3.120 20 10 DGCDRN CC[C@H]1C[C@@H](C(=O)N(CC)Cc2ccc(N(C)C)cc2)CCO1 ZINC000272578592 130043514 /nfs/dbraw/zinc/04/35/14/130043514.db2.gz KTNPHWOBRRIQMM-WMZOPIPTSA-N 0 0 318.461 3.306 20 10 DGCDRN C[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC12CCC2 ZINC000272631855 130047713 /nfs/dbraw/zinc/04/77/13/130047713.db2.gz KNEKSQHJQMCNHP-BPJJOFIESA-N 0 0 301.386 3.150 20 10 DGCDRN Cc1cccc([C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)c1 ZINC000273114615 130090877 /nfs/dbraw/zinc/09/08/77/130090877.db2.gz BMKMXAFSXXASCR-JKNJVXJCSA-N 0 0 323.392 3.436 20 10 DGCDRN CSc1ccc(NC(=O)NCc2ccc(N(C)C)cc2)nc1 ZINC000273126855 130092463 /nfs/dbraw/zinc/09/24/63/130092463.db2.gz SIPCVLYHVCTLPY-UHFFFAOYSA-N 0 0 316.430 3.191 20 10 DGCDRN C[C@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273388107 130116537 /nfs/dbraw/zinc/11/65/37/130116537.db2.gz DELXEWBNAAUWLU-AGIUHOORSA-N 0 0 308.378 3.156 20 10 DGCDRN COc1ccc(OC)c(C[NH2+][C@H](C)c2ccc(F)cc2[O-])c1 ZINC000273400659 130117667 /nfs/dbraw/zinc/11/76/67/130117667.db2.gz MXKDTQXIKFVJSM-LLVKDONJSA-N 0 0 305.349 3.399 20 10 DGCDRN COc1ccc(O)c([C@H](C)Nc2ccc(CNC(C)=O)cc2)c1 ZINC000273440110 130121950 /nfs/dbraw/zinc/12/19/50/130121950.db2.gz MTTWORLIOTYELR-LBPRGKRZSA-N 0 0 314.385 3.210 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1cc(Br)ccc1O ZINC000273578030 130140467 /nfs/dbraw/zinc/14/04/67/130140467.db2.gz MCZIFSZRZKGJKO-VHSXEESVSA-N 0 0 324.222 3.300 20 10 DGCDRN C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273596410 130142087 /nfs/dbraw/zinc/14/20/87/130142087.db2.gz QTDZKRZUGYDOMD-BLLLJJGKSA-N 0 0 316.357 3.075 20 10 DGCDRN C[N@H+](CCc1cnccn1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000273696288 130155010 /nfs/dbraw/zinc/15/50/10/130155010.db2.gz CLLAIZHLDFLASF-UHFFFAOYSA-N 0 0 312.200 3.164 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@H](C1CCCC1)C(F)(F)F ZINC000274880976 130270429 /nfs/dbraw/zinc/27/04/29/130270429.db2.gz NGOUSGBOCDFOHV-CYBMUJFWSA-N 0 0 316.323 3.313 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(F)nc1 ZINC000282465216 130923631 /nfs/dbraw/zinc/92/36/31/130923631.db2.gz KGBCIGBTWPFOBR-UHFFFAOYSA-N 0 0 302.349 3.369 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cccnc1OC ZINC000282538258 130927799 /nfs/dbraw/zinc/92/77/99/130927799.db2.gz REXOYPDBSDUHQH-UHFFFAOYSA-N 0 0 314.385 3.238 20 10 DGCDRN CSCc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000285479148 131172712 /nfs/dbraw/zinc/17/27/12/131172712.db2.gz LJGGRJNDYGGSTJ-UHFFFAOYSA-N 0 0 318.398 3.453 20 10 DGCDRN CN(C)c1ccc(CNc2ccc(OCCCO)cc2)cc1 ZINC000285569721 131182634 /nfs/dbraw/zinc/18/26/34/131182634.db2.gz UASPWENVTLZVBE-UHFFFAOYSA-N 0 0 300.402 3.126 20 10 DGCDRN CC[C@@H]([NH2+]CCCOC[C@H]1CCCO1)c1ccc(F)cc1[O-] ZINC000285771048 131200418 /nfs/dbraw/zinc/20/04/18/131200418.db2.gz SUVXNPRPWZUFAM-GDBMZVCRSA-N 0 0 311.397 3.158 20 10 DGCDRN CCNC(=O)[C@@H](C)[NH2+][C@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000286887810 131254479 /nfs/dbraw/zinc/25/44/79/131254479.db2.gz ISNOPZHSIWHQAA-PRHODGIISA-N 0 0 319.232 3.264 20 10 DGCDRN CC[C@H]([NH2+]CCCNC(=O)C1CCC1)c1cccc(Cl)c1[O-] ZINC000287561269 131286981 /nfs/dbraw/zinc/28/69/81/131286981.db2.gz GGXJLXDLKOZXQU-HNNXBMFYSA-N 0 0 324.852 3.393 20 10 DGCDRN CCN(CC)c1ccc(CNc2nncn2-c2cccnc2)cc1 ZINC000287710289 131296631 /nfs/dbraw/zinc/29/66/31/131296631.db2.gz NJRHFAQZZXFBHC-UHFFFAOYSA-N 0 0 322.416 3.121 20 10 DGCDRN CC[C@@H]([NH2+]CCN(C)CCCOC)c1cccc(Cl)c1[O-] ZINC000287841284 131302525 /nfs/dbraw/zinc/30/25/25/131302525.db2.gz WFVRVNOWZABFCJ-OAHLLOKOSA-N 0 0 314.857 3.055 20 10 DGCDRN Cc1nnc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 ZINC000288413350 131324724 /nfs/dbraw/zinc/32/47/24/131324724.db2.gz NLPHRRPGCHBDPU-LLVKDONJSA-N 0 0 324.331 3.060 20 10 DGCDRN COCCc1nc(CSc2ncc(C(C)(C)C)s2)no1 ZINC000289283083 131371160 /nfs/dbraw/zinc/37/11/60/131371160.db2.gz AADLIGUQRBFDDD-UHFFFAOYSA-N 0 0 313.448 3.305 20 10 DGCDRN CCOc1ccc(O)c(CN2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000289567832 131396770 /nfs/dbraw/zinc/39/67/70/131396770.db2.gz SFSUZGSQTBHARX-MRXNPFEDSA-N 0 0 301.390 3.241 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccsn1 ZINC000294526256 131840622 /nfs/dbraw/zinc/84/06/22/131840622.db2.gz UFSZMTXJGPPCBB-UHFFFAOYSA-N 0 0 315.442 3.406 20 10 DGCDRN Cc1cc(C)c([C@@H](C)Nc2cccc(OCC(N)=O)c2)c(O)c1 ZINC000294795683 131861355 /nfs/dbraw/zinc/86/13/55/131861355.db2.gz ORYJTCFEWJZTRS-CYBMUJFWSA-N 0 0 314.385 3.046 20 10 DGCDRN Cc1ccc(C)c(C(=O)CCC(=O)NCc2ccc(N)cc2)c1 ZINC000297177061 132003105 /nfs/dbraw/zinc/00/31/05/132003105.db2.gz KVDZTUUNCKCFTP-UHFFFAOYSA-N 0 0 310.397 3.165 20 10 DGCDRN CC(C)c1ccc(OCCC(=O)NCc2ccc(N)cc2)cc1 ZINC000297208996 132004260 /nfs/dbraw/zinc/00/42/60/132004260.db2.gz NGSYCCOTOOGVGW-UHFFFAOYSA-N 0 0 312.413 3.478 20 10 DGCDRN CCOc1ncc(C)cc1NC(=O)N(C)Cc1ccccc1O ZINC000297384955 132013323 /nfs/dbraw/zinc/01/33/23/132013323.db2.gz LNKINFCIQADUTL-UHFFFAOYSA-N 0 0 315.373 3.158 20 10 DGCDRN Cc1cc(C(=O)NCCCOC(C)C)c(C)n1-c1ccccn1 ZINC000298322450 132056338 /nfs/dbraw/zinc/05/63/38/132056338.db2.gz LRSLIEBTWFGGAC-UHFFFAOYSA-N 0 0 315.417 3.034 20 10 DGCDRN Cc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000298376025 132059420 /nfs/dbraw/zinc/05/94/20/132059420.db2.gz NTSBTSWOCWIEEE-UHFFFAOYSA-N 0 0 309.413 3.261 20 10 DGCDRN CN(C)c1ccc(CCC(=O)N(C)Cc2ccccc2O)cc1 ZINC000298786733 132077582 /nfs/dbraw/zinc/07/75/82/132077582.db2.gz KHDRXZQZUSJAPV-UHFFFAOYSA-N 0 0 312.413 3.049 20 10 DGCDRN Cc1cccc(CN(C)C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000298834303 132078912 /nfs/dbraw/zinc/07/89/12/132078912.db2.gz BJHHJEFGAHJRGR-UHFFFAOYSA-N 0 0 311.429 3.403 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)NCc2ccoc2)C2CC2)cc1 ZINC000298863559 132080160 /nfs/dbraw/zinc/08/01/60/132080160.db2.gz DGIFLRAIXMWZTM-UHFFFAOYSA-N 0 0 313.401 3.220 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C)CC(C)(C)OC)c1 ZINC000273465334 292014145 /nfs/dbraw/zinc/01/41/45/292014145.db2.gz DQNJCAONSXECKN-VXGBXAGGSA-N 0 0 309.406 3.033 20 10 DGCDRN Cc1cc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)no1 ZINC000052396807 134765610 /nfs/dbraw/zinc/76/56/10/134765610.db2.gz JTUVRLUXILSTFF-UHFFFAOYSA-N 0 0 313.401 3.246 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cn(C)nc1CC ZINC000091201765 400104440 /nfs/dbraw/zinc/10/44/40/400104440.db2.gz ABWZRRSFAIJWBJ-UHFFFAOYSA-N 0 0 316.405 3.132 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCCCCCOC ZINC000066701971 400110109 /nfs/dbraw/zinc/11/01/09/400110109.db2.gz VJPKCQDRHKCFHX-UHFFFAOYSA-N 0 0 308.422 3.131 20 10 DGCDRN COc1cccc(NC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000011553267 400144053 /nfs/dbraw/zinc/14/40/53/400144053.db2.gz NMYWYMSBCYNGSF-UHFFFAOYSA-N 0 0 313.401 3.425 20 10 DGCDRN COc1ccc(CCC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000015134767 400160777 /nfs/dbraw/zinc/16/07/77/400160777.db2.gz KXLNVGXMPKRLDL-UHFFFAOYSA-N 0 0 312.413 3.010 20 10 DGCDRN CCN1C(=O)/C(=C/c2ccc(N(C)C)c(F)c2)SC1=S ZINC000067734979 400199013 /nfs/dbraw/zinc/19/90/13/400199013.db2.gz LEBLZHKITQXKMW-WQLSENKSSA-N 0 0 310.419 3.113 20 10 DGCDRN O=[N+]([O-])c1ccccc1/C=C\CN1C[C@H](CO)Cc2ccccc21 ZINC000590049636 400351118 /nfs/dbraw/zinc/35/11/18/400351118.db2.gz XLWWQYUPNNQILR-GTBONMDNSA-N 0 0 324.380 3.279 20 10 DGCDRN Cc1noc(CN(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000042531590 400434153 /nfs/dbraw/zinc/43/41/53/400434153.db2.gz OIVQXLYPSVAYOS-UHFFFAOYSA-N 0 0 300.406 3.000 20 10 DGCDRN C[C@@H]1C[C@H]1CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000047098326 400600956 /nfs/dbraw/zinc/60/09/56/400600956.db2.gz PTWCZJIZGLZZQB-WBVHZDCISA-N 0 0 315.461 3.474 20 10 DGCDRN CCn1c(C)cc(/C=C2\SC(=S)N(C3CC3)C2=O)c1C ZINC000077448565 400717612 /nfs/dbraw/zinc/71/76/12/400717612.db2.gz YBQNKSKJXKUURM-JYRVWZFOSA-N 0 0 306.456 3.488 20 10 DGCDRN O=C(/C=C/c1cnc2ccccc2n1)N1CCCc2ncccc21 ZINC000078404872 400797779 /nfs/dbraw/zinc/79/77/79/400797779.db2.gz FTZMROSLVJYPIA-MDZDMXLPSA-N 0 0 316.364 3.017 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc(C)nc1 ZINC000080266189 400936674 /nfs/dbraw/zinc/93/66/74/400936674.db2.gz SWCKYUHMDNFNFT-UHFFFAOYSA-N 0 0 311.429 3.047 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000055877539 400898285 /nfs/dbraw/zinc/89/82/85/400898285.db2.gz OZIJOCLLRMTIMI-UHFFFAOYSA-N 0 0 324.424 3.356 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CCCCO1 ZINC000087204305 401186060 /nfs/dbraw/zinc/18/60/60/401186060.db2.gz YLNUHGOHVVESDM-QGZVFWFLSA-N 0 0 304.434 3.060 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H](COC)OC)c1cc(Cl)cc(Cl)c1[O-] ZINC000287885193 286911601 /nfs/dbraw/zinc/91/16/01/286911601.db2.gz YQSCOFXIGFNFNR-ZWNOBZJWSA-N 0 0 322.232 3.401 20 10 DGCDRN CC[C@@H]([NH2+]CCCc1nc(C)no1)c1cccc(Cl)c1[O-] ZINC000287745044 286907314 /nfs/dbraw/zinc/90/73/14/286907314.db2.gz PVXYSLCFBXXNMP-CYBMUJFWSA-N 0 0 309.797 3.411 20 10 DGCDRN C[C@@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1ccc(F)c(F)c1[O-] ZINC000187804641 287040314 /nfs/dbraw/zinc/04/03/14/287040314.db2.gz GEEJYFPIUNLUDC-ADLMAVQZSA-N 0 0 319.351 3.155 20 10 DGCDRN CC(C)OCc1ccc(C(=O)NCCc2ccc(N)cc2)cc1 ZINC000269152472 432153755 /nfs/dbraw/zinc/15/37/55/432153755.db2.gz TYLHXIQWZZALLO-UHFFFAOYSA-N 0 0 312.413 3.166 20 10 DGCDRN O=C(NCc1ccccc1O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000133753200 227038668 /nfs/dbraw/zinc/03/86/68/227038668.db2.gz OSACLNMHICHLIS-JQWIXIFHSA-N 0 0 301.308 3.377 20 10 DGCDRN O=C(NCc1ccccc1O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000133938835 227040680 /nfs/dbraw/zinc/04/06/80/227040680.db2.gz FCYPPRPGBPHTRK-NEPJUHHUSA-N 0 0 301.308 3.377 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000180484529 228356746 /nfs/dbraw/zinc/35/67/46/228356746.db2.gz DRZKRONRWYLAGO-CQSZACIVSA-N 0 0 304.777 3.094 20 10 DGCDRN Cc1ccc(C(=O)N2C[C@H](C)C[C@@H]2c2cccnc2)c(O)c1O ZINC000184783211 228386425 /nfs/dbraw/zinc/38/64/25/228386425.db2.gz FPRJCETZCQSQOH-IAQYHMDHSA-N 0 0 312.369 3.025 20 10 DGCDRN Cc1ccc(C(=O)N2C[C@@H](C)C[C@H]2c2cccnc2)c(O)c1O ZINC000184783267 228386483 /nfs/dbraw/zinc/38/64/83/228386483.db2.gz FPRJCETZCQSQOH-NHYWBVRUSA-N 0 0 312.369 3.025 20 10 DGCDRN Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ncccc3F)C2)c(O)c1 ZINC000185687533 228395138 /nfs/dbraw/zinc/39/51/38/228395138.db2.gz RTJDHJQVOGNBNN-UONOGXRCSA-N 0 0 315.392 3.164 20 10 DGCDRN Nc1ccc(CNC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000216270963 228612368 /nfs/dbraw/zinc/61/23/68/228612368.db2.gz GBUKIRWXQUSKHH-VXGBXAGGSA-N 0 0 300.324 3.254 20 10 DGCDRN Cc1cc(-c2nc([C@@H]3CCCO3)no2)c(C)n1-c1ccccn1 ZINC000274166969 228699038 /nfs/dbraw/zinc/69/90/38/228699038.db2.gz OJQWYHBIJDFGQY-AWEZNQCLSA-N 0 0 310.357 3.391 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)CC[C@@H]1CC[C@H](C)O1 ZINC000348657015 229205162 /nfs/dbraw/zinc/20/51/62/229205162.db2.gz BGKCSFZFJLYPHV-ZFWWWQNUSA-N 0 0 314.429 3.451 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)C[C@@H]1CCCCO1 ZINC000348633974 229205443 /nfs/dbraw/zinc/20/54/43/229205443.db2.gz HCEPAWIENKNGEB-AWEZNQCLSA-N 0 0 300.402 3.062 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1cncc(C)c1 ZINC000349798634 229217177 /nfs/dbraw/zinc/21/71/77/229217177.db2.gz GCUQCULZPQYWQQ-UHFFFAOYSA-N 0 0 322.412 3.190 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCCn1cccc1 ZINC000352126741 229243936 /nfs/dbraw/zinc/24/39/36/229243936.db2.gz WORDKSWLFAYWDK-UHFFFAOYSA-N 0 0 309.413 3.385 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNc1ccnc2ccncc21 ZINC000359852872 229386236 /nfs/dbraw/zinc/38/62/36/229386236.db2.gz ZOZAVAPHHXUJGK-UHFFFAOYSA-N 0 0 302.381 3.464 20 10 DGCDRN Cc1onc(-c2cccnc2)c1C(=O)N(C)c1ccccc1F ZINC000377295395 229602215 /nfs/dbraw/zinc/60/22/15/229602215.db2.gz IAMBPRDEMPAXFT-UHFFFAOYSA-N 0 0 311.316 3.461 20 10 DGCDRN CC[C@H]([NH2+]CCCNC(C)=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000287897946 288041026 /nfs/dbraw/zinc/04/10/26/288041026.db2.gz ZKNSJXDCDKCGKU-ZDUSSCGKSA-N 0 0 319.232 3.266 20 10 DGCDRN CCCCCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000068535610 431132126 /nfs/dbraw/zinc/13/21/26/431132126.db2.gz ZJHCBKYPVBWXJQ-UHFFFAOYSA-N 0 0 304.434 3.062 20 10 DGCDRN C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)c1cccc(O)c1 ZINC000069215402 431170323 /nfs/dbraw/zinc/17/03/23/431170323.db2.gz JZTOQRSCCZHGLA-CYBMUJFWSA-N 0 0 313.401 3.019 20 10 DGCDRN CC(C)N(C(=O)/C=C/c1ccc(N2CCOCC2)cc1)C(C)C ZINC000110291612 431186807 /nfs/dbraw/zinc/18/68/07/431186807.db2.gz WMTWCAUPJGPGRU-JXMROGBWSA-N 0 0 316.445 3.182 20 10 DGCDRN O=C([C@H]1CC=CCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000071798972 431289776 /nfs/dbraw/zinc/28/97/76/431289776.db2.gz NUZAYUFCUMOLRC-RDJZCZTQSA-N 0 0 315.413 3.256 20 10 DGCDRN COc1cccc(CNc2cccc(NC(=O)C3CC3)c2)c1O ZINC000074334325 431412924 /nfs/dbraw/zinc/41/29/24/431412924.db2.gz IFCCDVSUMMKMCZ-UHFFFAOYSA-N 0 0 312.369 3.361 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000116443162 431512789 /nfs/dbraw/zinc/51/27/89/431512789.db2.gz GCRYKMFFQJDCCN-CHWSQXEVSA-N 0 0 317.335 3.433 20 10 DGCDRN COc1cccc(CNC(=O)C[C@@H](C)c2cccc(F)c2)c1O ZINC000116444594 431513700 /nfs/dbraw/zinc/51/37/00/431513700.db2.gz JDMBZLRTTMFRCN-GFCCVEGCSA-N 0 0 317.360 3.350 20 10 DGCDRN C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Cc1ccc(N)cc1 ZINC000159800027 280016176 /nfs/dbraw/zinc/01/61/76/280016176.db2.gz WMLROQMBRVZIOU-BBRMVZONSA-N 0 0 312.388 3.355 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000369129127 280208986 /nfs/dbraw/zinc/20/89/86/280208986.db2.gz BCCVDYORJDJRKI-CQSZACIVSA-N 0 0 315.344 3.084 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CCC(F)(F)F)cc1 ZINC000079629360 431736792 /nfs/dbraw/zinc/73/67/92/431736792.db2.gz GZMZTRFLQWIJGF-UHFFFAOYSA-N 0 0 302.340 3.492 20 10 DGCDRN CCOc1cccc(CNc2cccc([S@@](C)=O)c2)c1O ZINC000121793960 431804557 /nfs/dbraw/zinc/80/45/57/431804557.db2.gz ZQOJSUKOHZMCDI-NRFANRHFSA-N 0 0 305.399 3.140 20 10 DGCDRN COc1ccc(N(C)Cc2cnc3c(c2)c(C)nn3C)cc1F ZINC000121744811 431805473 /nfs/dbraw/zinc/80/54/73/431805473.db2.gz LGUZWZHRPBXEPS-UHFFFAOYSA-N 0 0 314.364 3.061 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc(F)nc1 ZINC000125333622 431922149 /nfs/dbraw/zinc/92/21/49/431922149.db2.gz UWKKKOLWZUBTLP-UHFFFAOYSA-N 0 0 315.348 3.127 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccncc1 ZINC000052396831 431955490 /nfs/dbraw/zinc/95/54/90/431955490.db2.gz HYTPRRGFYRUCJG-UHFFFAOYSA-N 0 0 309.413 3.344 20 10 DGCDRN CC[C@@H]1C[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)CCO1 ZINC000183525912 432300419 /nfs/dbraw/zinc/30/04/19/432300419.db2.gz WMRRANQEUAMGKC-SJLPKXTDSA-N 0 0 316.445 3.108 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)Cc2cccc(F)c2)cc1 ZINC000060678849 432000569 /nfs/dbraw/zinc/00/05/69/432000569.db2.gz WCBWKBUMBIDIAM-UHFFFAOYSA-N 0 0 300.377 3.093 20 10 DGCDRN Cc1ccsc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173203102 432262854 /nfs/dbraw/zinc/26/28/54/432262854.db2.gz GAOYBPFAOUKHQH-UHFFFAOYSA-N 0 0 302.399 3.162 20 10 DGCDRN COCc1cccc(/C=C2\SC(N3CCCCC3)=NC2=O)c1 ZINC000174057492 432318020 /nfs/dbraw/zinc/31/80/20/432318020.db2.gz WAQFOCDXEPVALB-PTNGSMBKSA-N 0 0 316.426 3.289 20 10 DGCDRN Cc1noc([C@@H]2CCC[N@H+](Cc3c(O)cccc3Cl)C2)n1 ZINC000271105413 432331327 /nfs/dbraw/zinc/33/13/27/432331327.db2.gz VLWOKDVKRYPVFR-LLVKDONJSA-N 0 0 307.781 3.117 20 10 DGCDRN Nc1ccc(CCNC(=O)C2(c3ccc(Cl)cc3)CC2)cc1 ZINC000152506314 432337949 /nfs/dbraw/zinc/33/79/49/432337949.db2.gz ZYGSZWLVKUBCQI-UHFFFAOYSA-N 0 0 314.816 3.313 20 10 DGCDRN COc1cc(Cl)cc(C[N@@H+]2CCSCC[C@@H]2C)c1O ZINC000191816928 432304301 /nfs/dbraw/zinc/30/43/01/432304301.db2.gz MJNRMUUVJXGFQX-JTQLQIEISA-N 0 0 301.839 3.382 20 10 DGCDRN C[C@@H](Nc1ccc(OCC(=O)N(C)C)cc1)c1ccccc1O ZINC000183649071 432312969 /nfs/dbraw/zinc/31/29/69/432312969.db2.gz BHIVBPBJYDLDPO-CYBMUJFWSA-N 0 0 314.385 3.032 20 10 DGCDRN CCc1cccnc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000271014757 432313838 /nfs/dbraw/zinc/31/38/38/432313838.db2.gz ZOACERHPEVRZJS-UHFFFAOYSA-N 0 0 309.413 3.174 20 10 DGCDRN CCC(CC)n1nc(C(=O)NCc2ccccc2O)cc1C ZINC000271905106 432428071 /nfs/dbraw/zinc/42/80/71/432428071.db2.gz XLVAXAFQMNODJV-UHFFFAOYSA-N 0 0 301.390 3.188 20 10 DGCDRN COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(OC)c(OC)c2)c1 ZINC000192915739 432428306 /nfs/dbraw/zinc/42/83/06/432428306.db2.gz GPVSWCFIUBZTAX-GFCCVEGCSA-N 0 0 317.385 3.269 20 10 DGCDRN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1cccc(O)c1O ZINC000193102431 432448514 /nfs/dbraw/zinc/44/85/14/432448514.db2.gz STXDTHJHDRYQNV-HNNXBMFYSA-N 0 0 313.397 3.500 20 10 DGCDRN CC(C)[C@H]1CN(C(=O)c2cccc(O)c2O)c2ccccc2N1 ZINC000193108757 432449854 /nfs/dbraw/zinc/44/98/54/432449854.db2.gz TWGQKTYZCXPCTL-CQSZACIVSA-N 0 0 312.369 3.195 20 10 DGCDRN COc1ccc(Cl)cc1N(C)C(=O)/C=C\c1cccnc1 ZINC000255421108 432410147 /nfs/dbraw/zinc/41/01/47/432410147.db2.gz XOWITURIOGZANA-YVMONPNESA-N 0 0 302.761 3.420 20 10 DGCDRN COc1cc(Cl)cc(CN2CCC([NH2+]C(C)C)CC2)c1O ZINC000184686494 432421140 /nfs/dbraw/zinc/42/11/40/432421140.db2.gz MQQCMJMMPGQBGL-UHFFFAOYSA-N 0 0 312.841 3.017 20 10 DGCDRN C[C@@H]1C[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCO1 ZINC000271867856 432425676 /nfs/dbraw/zinc/42/56/76/432425676.db2.gz JTNBEILAZRAWCC-GDBMZVCRSA-N 0 0 316.445 3.059 20 10 DGCDRN Cc1cccc2oc(CC[NH2+]Cc3ccc4c(c3)CCO4)nc21 ZINC000271842474 432427119 /nfs/dbraw/zinc/42/71/19/432427119.db2.gz RECIDXQTFOXZFA-UHFFFAOYSA-N 0 0 308.381 3.403 20 10 DGCDRN Nc1ccc(CCNC(=O)C[C@H]2CCc3ccccc3C2)cc1 ZINC000262570707 432491291 /nfs/dbraw/zinc/49/12/91/432491291.db2.gz CXXXXFUPHPIZIN-INIZCTEOSA-N 0 0 308.425 3.123 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)c2ncon2)c(C)n1-c1ccccc1C ZINC000154484913 432501589 /nfs/dbraw/zinc/50/15/89/432501589.db2.gz VXVSGVKEJBLDFM-CYBMUJFWSA-N 0 0 324.384 3.277 20 10 DGCDRN CCN(CC)c1ccc(CNc2nc(COC)ns2)cc1 ZINC000176819361 432555844 /nfs/dbraw/zinc/55/58/44/432555844.db2.gz RQFXBLNEWXVONR-UHFFFAOYSA-N 0 0 306.435 3.143 20 10 DGCDRN CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])C1 ZINC000185657412 432520743 /nfs/dbraw/zinc/52/07/43/432520743.db2.gz JRDJJEMLORZWLR-CVOVGHTJSA-N 0 0 313.438 3.262 20 10 DGCDRN C[C@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1ccc(F)cc1[O-] ZINC000186165562 432564893 /nfs/dbraw/zinc/56/48/93/432564893.db2.gz RWGBWUAYAHZEGV-KPZWWZAWSA-N 0 0 301.361 3.016 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCSC1)c1cc(Br)ccc1O ZINC000273519036 432606784 /nfs/dbraw/zinc/60/67/84/432606784.db2.gz SYZUOHXQHNSUMS-PSASIEDQSA-N 0 0 302.237 3.311 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1noc2c1CCCC2 ZINC000264057902 432609249 /nfs/dbraw/zinc/60/92/49/432609249.db2.gz IJBBWIKHVNUMKQ-UHFFFAOYSA-N 0 0 314.385 3.311 20 10 DGCDRN CSC1(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 ZINC000194657653 432565767 /nfs/dbraw/zinc/56/57/67/432565767.db2.gz UORVITRPVXLUNX-UHFFFAOYSA-N 0 0 315.442 3.115 20 10 DGCDRN Cc1cc(C)c(C(=O)N2CCOc3cc(N(C)C)ccc32)o1 ZINC000176977507 432572587 /nfs/dbraw/zinc/57/25/87/432572587.db2.gz PZAWTMUXNPNPBG-UHFFFAOYSA-N 0 0 300.358 3.002 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[N@H+](C)CCc2ccncc2)c1[O-] ZINC000194824808 432579576 /nfs/dbraw/zinc/57/95/76/432579576.db2.gz ZLVPOYXCGUQLFE-UHFFFAOYSA-N 0 0 318.804 3.318 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1csc(C(C)(C)C)n1 ZINC000263825540 432583077 /nfs/dbraw/zinc/58/30/77/432583077.db2.gz WDYUWGVXFXJQPV-UHFFFAOYSA-N 0 0 304.415 3.418 20 10 DGCDRN COc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])c(OC)c1 ZINC000273441886 432598604 /nfs/dbraw/zinc/59/86/04/432598604.db2.gz YVKZCOOFOYYZIO-NSHDSACASA-N 0 0 305.349 3.399 20 10 DGCDRN C[C@@H](N[C@@H](CO)c1c(F)cccc1F)c1cc(F)ccc1O ZINC000273465849 432602073 /nfs/dbraw/zinc/60/20/73/432602073.db2.gz IUJOVISOBYFWLL-OTYXRUKQSA-N 0 0 311.303 3.194 20 10 DGCDRN CCOCCC1(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000273485590 432604737 /nfs/dbraw/zinc/60/47/37/432604737.db2.gz NHFCHKWFYMXGLM-ZDUSSCGKSA-N 0 0 321.417 3.036 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)NC3CCC3)cc2)CC1 ZINC000264568215 432660642 /nfs/dbraw/zinc/66/06/42/432660642.db2.gz UBYVRRFHEFUGIT-UHFFFAOYSA-N 0 0 301.434 3.275 20 10 DGCDRN Cc1c([C@@H](C)[NH2+]Cc2cc(Br)ccc2O)cnn1C ZINC000227437300 432712149 /nfs/dbraw/zinc/71/21/49/432712149.db2.gz TZCYYDBASXXUGK-SECBINFHSA-N 0 0 324.222 3.047 20 10 DGCDRN COc1ccc(C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])cc1O ZINC000187688447 432676631 /nfs/dbraw/zinc/67/66/31/432676631.db2.gz YNBMHKSULPLPKO-SECBINFHSA-N 0 0 309.312 3.235 20 10 DGCDRN C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1[O-] ZINC000276928844 432827979 /nfs/dbraw/zinc/82/79/79/432827979.db2.gz NURWIFYTHCLBSE-SNVBAGLBSA-N 0 0 322.311 3.472 20 10 DGCDRN C[C@@H](C(=O)[O-])[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000277245763 432831416 /nfs/dbraw/zinc/83/14/16/432831416.db2.gz JNYMAIGDQKYOEM-KDOFPFPSSA-N 0 0 312.413 3.304 20 10 DGCDRN COc1ccc2c(c1)CCCCN2C[C@H](O)CC(F)(F)F ZINC000276218246 432784040 /nfs/dbraw/zinc/78/40/40/432784040.db2.gz LUYZZSLPUGIVDX-GFCCVEGCSA-N 0 0 303.324 3.151 20 10 DGCDRN CC[C@@H](C)[C@H](NC(=O)NCc1ccccc1O)C(F)(F)F ZINC000278446463 432895545 /nfs/dbraw/zinc/89/55/45/432895545.db2.gz FWDZNLVICMYWPZ-SKDRFNHKSA-N 0 0 304.312 3.168 20 10 DGCDRN CCC(CC)NC(=O)NCc1cccc(Br)c1O ZINC000278447826 432895698 /nfs/dbraw/zinc/89/56/98/432895698.db2.gz UFILOHVSGSDDAE-UHFFFAOYSA-N 0 0 315.211 3.143 20 10 DGCDRN C[C@H](NC(=O)COc1ccc(N(C)C)cc1)c1cccs1 ZINC000277730649 432873439 /nfs/dbraw/zinc/87/34/39/432873439.db2.gz HQBLHKPJJGTADR-LBPRGKRZSA-N 0 0 304.415 3.070 20 10 DGCDRN CC[C@H](C)[C@@H](NC(=O)NCc1ccccc1O)C(F)(F)F ZINC000278446455 432895200 /nfs/dbraw/zinc/89/52/00/432895200.db2.gz FWDZNLVICMYWPZ-JOYOIKCWSA-N 0 0 304.312 3.168 20 10 DGCDRN COc1cc(CCO)ccc1NCc1ccc(N(C)C)c(F)c1 ZINC000289809634 432974670 /nfs/dbraw/zinc/97/46/70/432974670.db2.gz STQRVNRGVOHHNR-UHFFFAOYSA-N 0 0 318.392 3.047 20 10 DGCDRN CCOc1cccc(CN2CCCC[C@H]2c2nc(C)no2)c1O ZINC000289907559 432978400 /nfs/dbraw/zinc/97/84/00/432978400.db2.gz UWCGIFSXUJXGAY-AWEZNQCLSA-N 0 0 317.389 3.210 20 10 DGCDRN COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@@H](O)c2ccccc2)c1O ZINC000289998110 432983329 /nfs/dbraw/zinc/98/33/29/432983329.db2.gz CTPCGJNNOVKRAO-MEDUHNTESA-N 0 0 321.804 3.266 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000290157012 433004439 /nfs/dbraw/zinc/00/44/39/433004439.db2.gz DARSAOLTIPTFHH-XMZIXOGTSA-N 0 0 307.340 3.443 20 10 DGCDRN CCC[C@@]1(CO)CC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000290232688 433017392 /nfs/dbraw/zinc/01/73/92/433017392.db2.gz SZWGKXFSAWWXLR-MRXNPFEDSA-N 0 0 313.825 3.039 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCOCc3ccccc32)c1O ZINC000280296309 433030312 /nfs/dbraw/zinc/03/03/12/433030312.db2.gz FLYIERARCRXXKL-UHFFFAOYSA-N 0 0 315.344 3.271 20 10 DGCDRN O=C(c1ccc(NCc2cc(F)ccc2O)cc1)N1CCCC1 ZINC000280626127 433115030 /nfs/dbraw/zinc/11/50/30/433115030.db2.gz GJWLXXNSNPNFDT-UHFFFAOYSA-N 0 0 314.360 3.379 20 10 DGCDRN Cc1ccc(N2CCOCC2)cc1NCc1cc(F)ccc1O ZINC000280881659 433211192 /nfs/dbraw/zinc/21/11/92/433211192.db2.gz CRVDSWKHUVWJBI-UHFFFAOYSA-N 0 0 316.376 3.288 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@]1(CO)C[C@H]1c1ccccc1 ZINC000291692099 433316021 /nfs/dbraw/zinc/31/60/21/433316021.db2.gz YFFMVJNLVLWSHH-YJBOKZPZSA-N 0 0 317.816 3.301 20 10 DGCDRN Cc1ccc(O)c(CNc2cc(N3CCOCC3)ccc2C)c1 ZINC000281775248 433376905 /nfs/dbraw/zinc/37/69/05/433376905.db2.gz TZLWVEKRQLXIEQ-UHFFFAOYSA-N 0 0 312.413 3.458 20 10 DGCDRN O=C(NCc1ccccc1O)NC[C@@H]1CCCCC(F)(F)C1 ZINC000291931882 433396991 /nfs/dbraw/zinc/39/69/91/433396991.db2.gz SKEHSRSZWWBRQM-GFCCVEGCSA-N 0 0 312.360 3.407 20 10 DGCDRN CC(C)n1cnnc1CN(C)Cc1c(O)ccc2ccccc21 ZINC000292098280 433459220 /nfs/dbraw/zinc/45/92/20/433459220.db2.gz OQZOBQIOJAJRAH-UHFFFAOYSA-N 0 0 310.401 3.350 20 10 DGCDRN Cc1cc([N+](=O)[O-])cnc1NCc1ccc(N2CC=CC2)cc1 ZINC000301341483 433514320 /nfs/dbraw/zinc/51/43/20/433514320.db2.gz IGJDWZUUDLWUIJ-UHFFFAOYSA-N 0 0 310.357 3.287 20 10 DGCDRN Cc1cncc(CCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000292308549 433549058 /nfs/dbraw/zinc/54/90/58/433549058.db2.gz QNXVWUGSBRSTHT-UHFFFAOYSA-N 0 0 311.429 3.047 20 10 DGCDRN CO[C@H]1Cc2ccccc2N(Cc2c[nH]nc2-c2cccnc2)C1 ZINC000282264166 433547262 /nfs/dbraw/zinc/54/72/62/433547262.db2.gz CAWOQBOJTBCUNJ-KRWDZBQOSA-N 0 0 320.396 3.049 20 10 DGCDRN CCSCCCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000282773330 433627767 /nfs/dbraw/zinc/62/77/67/433627767.db2.gz HYDKZPLZYONEHN-UHFFFAOYSA-N 0 0 309.479 3.037 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cccc(O)c1O ZINC000282438774 433611224 /nfs/dbraw/zinc/61/12/24/433611224.db2.gz HZLGJQOLPBLKJP-UHFFFAOYSA-N 0 0 315.369 3.246 20 10 DGCDRN CC(C)Oc1ccc(N(C)Cc2ncnn2C(C)(C)C)cc1 ZINC000282580013 433620156 /nfs/dbraw/zinc/62/01/56/433620156.db2.gz VVQPYYILQPEJPL-UHFFFAOYSA-N 0 0 302.422 3.457 20 10 DGCDRN COc1ccc(N(Cc2ccco2)Cc2nnc(C)[nH]2)cc1F ZINC000293307927 433693856 /nfs/dbraw/zinc/69/38/56/433693856.db2.gz VLJAJIUMVMQPNP-UHFFFAOYSA-N 0 0 316.336 3.061 20 10 DGCDRN COC[C@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])OC ZINC000273455812 293107123 /nfs/dbraw/zinc/10/71/23/293107123.db2.gz PLUFLNBCGVPDSK-IUCAKERBSA-N 0 0 308.205 3.011 20 10 DGCDRN CCOc1cccc(N(C)Cc2ccccc2O)c1[N+](=O)[O-] ZINC000302652750 433829094 /nfs/dbraw/zinc/82/90/94/433829094.db2.gz NITXTMWRCDGRCJ-UHFFFAOYSA-N 0 0 302.330 3.336 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)Cc2cnccc2Cl)cc1 ZINC000293729835 433846898 /nfs/dbraw/zinc/84/68/98/433846898.db2.gz KMMGXKVKKRUTFG-UHFFFAOYSA-N 0 0 317.820 3.002 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC[C@H](O)c1ccccc1 ZINC000294009217 433960472 /nfs/dbraw/zinc/96/04/72/433960472.db2.gz UCSPHKUIFVWBNR-HNNXBMFYSA-N 0 0 309.768 3.398 20 10 DGCDRN C[C@@]1(CCCO)CCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000293958917 433940509 /nfs/dbraw/zinc/94/05/09/433940509.db2.gz PRRHVMRGKBOQIT-HNNXBMFYSA-N 0 0 301.789 3.312 20 10 DGCDRN CC(C)C[C@@H]1C[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000450042861 433940506 /nfs/dbraw/zinc/94/05/06/433940506.db2.gz AAHVCDDKJCZBHS-UKRRQHHQSA-N 0 0 302.418 3.160 20 10 DGCDRN CCC[C@@H](OC)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000294280488 434069650 /nfs/dbraw/zinc/06/96/50/434069650.db2.gz FGCZQZWNMOVOSR-GOSISDBHSA-N 0 0 318.461 3.450 20 10 DGCDRN CC(C)[C@]1(CO)CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000378137489 434095100 /nfs/dbraw/zinc/09/51/00/434095100.db2.gz YZLTZZKSTNUHBI-OAHLLOKOSA-N 0 0 301.789 3.025 20 10 DGCDRN Nc1ccc(CC(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000378213515 434115603 /nfs/dbraw/zinc/11/56/03/434115603.db2.gz VTMOWGWDKJNFPZ-KRWDZBQOSA-N 0 0 316.351 3.453 20 10 DGCDRN CC(C)c1nnc(CNCc2ccc(N3CCCCC3)cc2)[nH]1 ZINC000294753045 434131427 /nfs/dbraw/zinc/13/14/27/434131427.db2.gz IKPHNAIAUPOAPF-UHFFFAOYSA-N 0 0 313.449 3.208 20 10 DGCDRN CC1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]2CCC[C@@H]21 ZINC000294874459 434150556 /nfs/dbraw/zinc/15/05/56/434150556.db2.gz UBWJWWZCJDOVHR-LUIPGBGBSA-N 0 0 301.386 3.148 20 10 DGCDRN Cc1cccc([C@@H]2CCN(C(=O)c3c(F)ccc(O)c3O)C2)c1 ZINC000294962899 434155845 /nfs/dbraw/zinc/15/58/45/434155845.db2.gz NOOMUSYSMFYBBT-CYBMUJFWSA-N 0 0 315.344 3.175 20 10 DGCDRN CCCn1ncnc1CN1CCCc2cc(OC(F)F)ccc21 ZINC000365313565 434294447 /nfs/dbraw/zinc/29/44/47/434294447.db2.gz JTBJCUZNZDXZCA-UHFFFAOYSA-N 0 0 322.359 3.242 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CCCN1c1ccccc1 ZINC000365506402 434298453 /nfs/dbraw/zinc/29/84/53/434298453.db2.gz HSHOUSASRQRYMN-KRWDZBQOSA-N 0 0 310.397 3.020 20 10 DGCDRN COC(=O)c1cnc(SCc2nc(C)c(C)s2)s1 ZINC000295368481 434328641 /nfs/dbraw/zinc/32/86/41/434328641.db2.gz SCYGCZLUYULGNF-UHFFFAOYSA-N 0 0 300.430 3.295 20 10 DGCDRN COC(=O)c1cnc(S[C@H](C)c2nc(C3CC3)no2)s1 ZINC000295360901 434329140 /nfs/dbraw/zinc/32/91/40/434329140.db2.gz RMGKDTCIWXNIRS-ZCFIWIBFSA-N 0 0 311.388 3.043 20 10 DGCDRN CCn1ccnc1[C@H]1CCCCN1Cc1cc(F)ccc1O ZINC000370703164 434618605 /nfs/dbraw/zinc/61/86/05/434618605.db2.gz YVNJHXIWHMKFMN-OAHLLOKOSA-N 0 0 303.381 3.475 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000369684256 434598295 /nfs/dbraw/zinc/59/82/95/434598295.db2.gz SWSIBGLLBMQOIO-CQSZACIVSA-N 0 0 302.201 3.046 20 10 DGCDRN CCN(CC)c1ccc(CN2CCC[C@@H]2c2ncon2)cc1F ZINC000371385290 434686282 /nfs/dbraw/zinc/68/62/82/434686282.db2.gz WVTBZNBTNHFLHH-MRXNPFEDSA-N 0 0 318.396 3.392 20 10 DGCDRN Cc1cccnc1N(C)C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491981457 434893592 /nfs/dbraw/zinc/89/35/92/434893592.db2.gz HYXZSBCQQKLZPI-VURMDHGXSA-N 0 0 315.304 3.114 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C/c2cncc(C)c2)cc1OC ZINC000492234327 434939664 /nfs/dbraw/zinc/93/96/64/434939664.db2.gz VKKPBOVDNSIQJX-VMPITWQZSA-N 0 0 312.369 3.083 20 10 DGCDRN Cc1c(/C=C\C(=O)N(C)c2ccc(F)c(Cl)c2)cnn1C ZINC000492364585 434968611 /nfs/dbraw/zinc/96/86/11/434968611.db2.gz JMDIPJJTBOIBKK-DAXSKMNVSA-N 0 0 307.756 3.197 20 10 DGCDRN Cc1cc(N(C)C(=O)/C=C\c2cnn(-c3ccccc3)c2)ccn1 ZINC000492461919 434987774 /nfs/dbraw/zinc/98/77/74/434987774.db2.gz SPSCNXSQBXEINH-HJWRWDBZSA-N 0 0 318.380 3.252 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cnn(C2CC2)c1 ZINC000529306844 435035652 /nfs/dbraw/zinc/03/56/52/435035652.db2.gz UTUWNFJITNHZKZ-UHFFFAOYSA-N 0 0 313.401 3.366 20 10 DGCDRN COCCN(C(=O)/C=C\c1scnc1C)c1ccccc1 ZINC000493306133 435146496 /nfs/dbraw/zinc/14/64/96/435146496.db2.gz UBCIWSRIFZNIIF-HJWRWDBZSA-N 0 0 302.399 3.144 20 10 DGCDRN O=C(/C=C\c1cncs1)N1CCC[C@H](O)c2cc(F)ccc21 ZINC000493610041 435188824 /nfs/dbraw/zinc/18/88/24/435188824.db2.gz FJOGBPUQRNDKAZ-VOKGJARPSA-N 0 0 318.373 3.156 20 10 DGCDRN Cc1ccc(/C=C\C(=O)N2C[C@@H](C)C(=O)Nc3ccccc32)cn1 ZINC000493466470 435177069 /nfs/dbraw/zinc/17/70/69/435177069.db2.gz RVRNLGUTKHFXOQ-ASCRHOAZSA-N 0 0 321.380 3.025 20 10 DGCDRN O=C(/C=C/c1cccnc1)N1C[C@H]2CCCN2c2ccccc21 ZINC000490577088 435664525 /nfs/dbraw/zinc/66/45/25/435664525.db2.gz PLBABMACTPKIBC-ZNFPLGDCSA-N 0 0 305.381 3.110 20 10 DGCDRN CCn1ncnc1COc1ccc2c(c1)c1c(n2C)CCCC1 ZINC000664105641 436558441 /nfs/dbraw/zinc/55/84/41/436558441.db2.gz WZKFYGKIRNOGOC-UHFFFAOYSA-N 0 0 310.401 3.248 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)CC1(CSC)CC1 ZINC001634944221 1194524114 /nfs/dbraw/zinc/52/41/14/1194524114.db2.gz OQBRVQBNKMANME-UHFFFAOYSA-N 0 0 314.447 3.027 20 10 DGCDRN Cc1nccn1CCCC[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187734340 333236955 /nfs/dbraw/zinc/23/69/55/333236955.db2.gz PLATVAWEZARABZ-NSHDSACASA-N 0 0 309.360 3.306 20 10 DGCDRN Cc1ncccc1/C=C\C(=O)N1C[C@H]2CCCN2c2ccccc21 ZINC000492952275 339913362 /nfs/dbraw/zinc/91/33/62/339913362.db2.gz GSHNADNNBCWNOL-QXPKXGMISA-N 0 0 319.408 3.419 20 10 DGCDRN CN(C(=O)/C=C/c1cn(C)c2ccccc12)c1ncccc1F ZINC000131119732 341062057 /nfs/dbraw/zinc/06/20/57/341062057.db2.gz FKTHPFQIKHVKTE-MDZDMXLPSA-N 0 0 309.344 3.389 20 10 DGCDRN COC1(C(=O)NCc2c(C)c3ccccc3n2C)CCCC1 ZINC000547772620 341231743 /nfs/dbraw/zinc/23/17/43/341231743.db2.gz ZDSKZUWFAJRBSY-UHFFFAOYSA-N 0 0 300.402 3.062 20 10 DGCDRN CCOCCOCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000191568462 519993984 /nfs/dbraw/zinc/99/39/84/519993984.db2.gz IPNGSHXUWXRSMX-UHFFFAOYSA-N 0 0 322.232 3.184 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cc(C2CC2)on1 ZINC000348662817 533971305 /nfs/dbraw/zinc/97/13/05/533971305.db2.gz CKNVCWORXOOMQM-UHFFFAOYSA-N 0 0 309.369 3.282 20 10 DGCDRN COc1ccc(N2CCC(Nc3ncc(Cl)cn3)CC2)cc1 ZINC000301483045 533999480 /nfs/dbraw/zinc/99/94/80/533999480.db2.gz FUKGDKWZLFOUMB-UHFFFAOYSA-N 0 0 318.808 3.220 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)/C=C(\C)C3CC3)CC2)cc1 ZINC000193518762 534000218 /nfs/dbraw/zinc/00/02/18/534000218.db2.gz MOIXDYAFPQFFOG-CCEZHUSRSA-N 0 0 314.429 3.090 20 10 DGCDRN CC(C)(C)c1ccc(CCNC(=O)Cc2ccc(N)cc2)cc1 ZINC000236585034 519027036 /nfs/dbraw/zinc/02/70/36/519027036.db2.gz DYDDOKWJYATRSI-UHFFFAOYSA-N 0 0 310.441 3.468 20 10 DGCDRN CC(C)[C@H](Cc1ccccc1)C(=O)NCCc1ccc(N)cc1 ZINC000236704920 519816741 /nfs/dbraw/zinc/81/67/41/519816741.db2.gz AVVSSDBJZBOBPO-IBGZPJMESA-N 0 0 310.441 3.442 20 10 DGCDRN CC(C)c1cc(NC(=O)NCc2ccc(N(C)C)c(F)c2)no1 ZINC000266333628 519833341 /nfs/dbraw/zinc/83/33/41/519833341.db2.gz AEINVNWIZBMCMG-UHFFFAOYSA-N 0 0 320.368 3.325 20 10 DGCDRN CCO[C@H](CCNC(=O)NCc1ccccc1O)C1CCCC1 ZINC000266982482 520507134 /nfs/dbraw/zinc/50/71/34/520507134.db2.gz NQMDBBFCFKCBDD-QGZVFWFLSA-N 0 0 320.433 3.177 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C2CCSCC2)cc1F ZINC000264839699 520894429 /nfs/dbraw/zinc/89/44/29/520894429.db2.gz CXRUBMLFMOMZFL-UHFFFAOYSA-N 0 0 324.465 3.431 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C2=C(C)OCCC2)cc1 ZINC000179317247 520894915 /nfs/dbraw/zinc/89/49/15/520894915.db2.gz UMSIHJDDQSVVTE-UHFFFAOYSA-N 0 0 302.418 3.233 20 10 DGCDRN CCN(CC)c1ccc(CNc2nnc([C@@H]3CCCO3)o2)cc1 ZINC000181802707 520913178 /nfs/dbraw/zinc/91/31/78/520913178.db2.gz VCFVRUIOTYCCBD-HNNXBMFYSA-N 0 0 316.405 3.379 20 10 DGCDRN CCCc1cnc(NC(=O)N(C)Cc2ccccc2O)s1 ZINC000180826885 521450063 /nfs/dbraw/zinc/45/00/63/521450063.db2.gz PTSJGGJRPBZCQK-UHFFFAOYSA-N 0 0 305.403 3.465 20 10 DGCDRN CCC(CC)c1cc(CNC(=O)NCc2ccccc2O)on1 ZINC000266526078 521633935 /nfs/dbraw/zinc/63/39/35/521633935.db2.gz INCZNRPQMFPYSX-UHFFFAOYSA-N 0 0 317.389 3.283 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NOCCC(F)(F)F ZINC000119690500 521688655 /nfs/dbraw/zinc/68/86/55/521688655.db2.gz BBSLBCINOKDYTG-UHFFFAOYSA-N 0 0 320.311 3.198 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C[C@H]2OCCc3ccccc32)cc1 ZINC000115009906 522191132 /nfs/dbraw/zinc/19/11/32/522191132.db2.gz BUAKJCAKRJSRLN-LJQANCHMSA-N 0 0 324.424 3.073 20 10 DGCDRN CN(C)c1ccc(CNc2cccc([S@@](C)=O)c2)cc1F ZINC000121930479 522216057 /nfs/dbraw/zinc/21/60/57/522216057.db2.gz YPSIQDBGJRDVIB-NRFANRHFSA-N 0 0 306.406 3.241 20 10 DGCDRN CN(C)c1cccc([C@@H]2CCCN2C(=O)Cc2ccc(N)cc2)c1 ZINC000237154479 522285128 /nfs/dbraw/zinc/28/51/28/522285128.db2.gz SNMXILDLPLHCCF-IBGZPJMESA-N 0 0 323.440 3.241 20 10 DGCDRN COc1cc(Cl)cc(CN2CCOC[C@@H]2c2ccco2)c1O ZINC000368625327 522536163 /nfs/dbraw/zinc/53/61/63/522536163.db2.gz YQUATRXZNNEZNC-CYBMUJFWSA-N 0 0 323.776 3.221 20 10 DGCDRN COc1cc(N(C)CCOCCC(C)C)cc(OC)c1OC ZINC000131060844 522618478 /nfs/dbraw/zinc/61/84/78/522618478.db2.gz VNXLBOVDACPGAC-UHFFFAOYSA-N 0 0 311.422 3.211 20 10 DGCDRN COc1cc(N(C)Cc2cccc(C)c2O)cc(OC)c1OC ZINC000180755908 522621282 /nfs/dbraw/zinc/62/12/82/522621282.db2.gz VVIIFAGZZXWWLX-UHFFFAOYSA-N 0 0 317.385 3.363 20 10 DGCDRN CC[C@](C)(NC(=O)Cc1ccc(N)cc1)c1nc(C)cs1 ZINC000236918506 523477220 /nfs/dbraw/zinc/47/72/20/523477220.db2.gz GXCSSTJGNSRSMS-INIZCTEOSA-N 0 0 303.431 3.018 20 10 DGCDRN COCC[N@H+](Cc1ccccc1)Cc1cccc(OC)c1O ZINC000160448202 523755477 /nfs/dbraw/zinc/75/54/77/523755477.db2.gz ABVXDRFWXHTTPF-UHFFFAOYSA-N 0 0 301.386 3.049 20 10 DGCDRN CO[C@H](C)CCC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000183453624 523861733 /nfs/dbraw/zinc/86/17/33/523861733.db2.gz NFIGUGSDFMITIL-MRXNPFEDSA-N 0 0 318.461 3.354 20 10 DGCDRN Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2O3)c(C)n1-c1ccccc1 ZINC000155317300 524156306 /nfs/dbraw/zinc/15/63/06/524156306.db2.gz UPPJXDPWSOVNTE-NJAFHUGGSA-N 0 0 310.397 3.144 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCCOCC1 ZINC000368850362 524219947 /nfs/dbraw/zinc/21/99/47/524219947.db2.gz POQRBVNVEIIKSE-UHFFFAOYSA-N 0 0 312.413 3.265 20 10 DGCDRN COc1ccc(N(C[C@H](O)CC(F)(F)F)C(C)C)cc1F ZINC000189646183 524367459 /nfs/dbraw/zinc/36/74/59/524367459.db2.gz YIUMAUHXPJBCAP-LLVKDONJSA-N 0 0 309.303 3.362 20 10 DGCDRN C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000237567595 524435440 /nfs/dbraw/zinc/43/54/40/524435440.db2.gz SISMIKNDQSUXRA-BUXKBTBVSA-N 0 0 312.388 3.390 20 10 DGCDRN COc1ccccc1CN(CCO)Cc1c(O)cccc1Cl ZINC000130466221 524439510 /nfs/dbraw/zinc/43/95/10/524439510.db2.gz WFJVINBITQUZAL-UHFFFAOYSA-N 0 0 321.804 3.049 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCc1cccs1 ZINC000183427240 524696488 /nfs/dbraw/zinc/69/64/88/524696488.db2.gz VHXAVSIDYHDIOR-GFCCVEGCSA-N 0 0 319.426 3.229 20 10 DGCDRN COc1ccc(O)c(CN2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC000180024750 524741187 /nfs/dbraw/zinc/74/11/87/524741187.db2.gz RQBOTDFZFJCUFD-GOSISDBHSA-N 0 0 317.360 3.113 20 10 DGCDRN Cc1ccc(N2CCCC2)c(C(=O)NCc2ccccc2O)c1 ZINC000266581506 524945444 /nfs/dbraw/zinc/94/54/44/524945444.db2.gz PUYRCBIGSTWKLV-UHFFFAOYSA-N 0 0 310.397 3.231 20 10 DGCDRN Cc1ccn(-c2ccc(N[C@H](C)c3ccc(N(C)C)cc3)nn2)n1 ZINC000302393112 534851188 /nfs/dbraw/zinc/85/11/88/534851188.db2.gz JUBSVTGVDLLBSV-CQSZACIVSA-N 0 0 322.416 3.210 20 10 DGCDRN Cc1cccnc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000267473625 525486612 /nfs/dbraw/zinc/48/66/12/525486612.db2.gz RKYLZGSJUBOPPK-UHFFFAOYSA-N 0 0 309.413 3.261 20 10 DGCDRN CSC[C@@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000266746323 525628266 /nfs/dbraw/zinc/62/82/66/525628266.db2.gz DUFPDCNXRDWSEA-CQSZACIVSA-N 0 0 323.506 3.424 20 10 DGCDRN COc1cccc(CNC(=O)C(C)(C)c2cccc(F)c2)c1O ZINC000131288416 525962938 /nfs/dbraw/zinc/96/29/38/525962938.db2.gz QTTMTTIYQUVXRX-UHFFFAOYSA-N 0 0 317.360 3.134 20 10 DGCDRN COc1cccc(CNC(=O)Cc2c(C)cc(C)cc2C)c1O ZINC000180420072 525976571 /nfs/dbraw/zinc/97/65/71/525976571.db2.gz QKRSOMJINKATDC-UHFFFAOYSA-N 0 0 313.397 3.185 20 10 DGCDRN C[C@H](C(=O)NCCc1ccc(N)cc1)c1ccc(Cl)s1 ZINC000237430100 526056033 /nfs/dbraw/zinc/05/60/33/526056033.db2.gz YIRDISOMQLUFKD-JTQLQIEISA-N 0 0 308.834 3.446 20 10 DGCDRN Cc1cncc(/C=C/C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000178820942 526174662 /nfs/dbraw/zinc/17/46/62/526174662.db2.gz BOQINDQWHWNRQE-RMKNXTFCSA-N 0 0 321.424 3.320 20 10 DGCDRN Cc1cncc(/C=C/C(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000153184111 526175062 /nfs/dbraw/zinc/17/50/62/526175062.db2.gz CFVQPYFKEIMZPY-RMKNXTFCSA-N 0 0 322.408 3.304 20 10 DGCDRN C[C@H](CC(=O)NCCc1ccc(N)cc1)c1ccc(F)cc1 ZINC000269150910 526239136 /nfs/dbraw/zinc/23/91/36/526239136.db2.gz RCENSDZWYLOXIA-CYBMUJFWSA-N 0 0 300.377 3.260 20 10 DGCDRN Fc1cc(CNc2cccc(Cl)n2)ccc1N1CCOCC1 ZINC000189411538 526298224 /nfs/dbraw/zinc/29/82/24/526298224.db2.gz DSJLRZLCEQQFTB-UHFFFAOYSA-N 0 0 321.783 3.323 20 10 DGCDRN Oc1c(Cl)cccc1CNc1ccc(OC2COC2)cc1 ZINC000188850576 526328177 /nfs/dbraw/zinc/32/81/77/526328177.db2.gz GVYLMWBNLZCHLI-UHFFFAOYSA-N 0 0 305.761 3.435 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@H]1C1CC1 ZINC000364826993 526679016 /nfs/dbraw/zinc/67/90/16/526679016.db2.gz MZBVHHNQUKLACE-SFHVURJKSA-N 0 0 311.429 3.147 20 10 DGCDRN Cn1c(-c2ccccc2)cnc1SCN1CCCCC1=O ZINC000180496336 527017925 /nfs/dbraw/zinc/01/79/25/527017925.db2.gz IKZSITDUEDDCBA-UHFFFAOYSA-N 0 0 301.415 3.149 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1[O-] ZINC000152794348 527207611 /nfs/dbraw/zinc/20/76/11/527207611.db2.gz VWXZSFORUWKEPP-MLGOLLRUSA-N 0 0 323.820 3.249 20 10 DGCDRN O=[N+]([O-])c1cnc(NCc2ccc(N3CCCC3)cc2)s1 ZINC000195508597 527411177 /nfs/dbraw/zinc/41/11/77/527411177.db2.gz MISZDZXTTHOSML-UHFFFAOYSA-N 0 0 304.375 3.264 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000180894771 527613386 /nfs/dbraw/zinc/61/33/86/527613386.db2.gz NRCLHUWCRNHVPV-SUMGSTKGSA-N 0 0 301.386 3.292 20 10 DGCDRN CCOc1ccc(C(=O)NCc2ccccc2O)cc1OCC ZINC000299463012 528402988 /nfs/dbraw/zinc/40/29/88/528402988.db2.gz CLLBMCDXJDIOEG-UHFFFAOYSA-N 0 0 315.369 3.120 20 10 DGCDRN CC(C)Cc1noc(/C=C/c2ccc(N3CCOCC3)cc2)n1 ZINC000109560283 528680474 /nfs/dbraw/zinc/68/04/74/528680474.db2.gz KGCNNNRLEZSKOK-VMPITWQZSA-N 0 0 313.401 3.275 20 10 DGCDRN CC[C@H](OC1CCCCC1)C(=O)NCc1cccc(OC)c1O ZINC000131043089 529154832 /nfs/dbraw/zinc/15/48/32/529154832.db2.gz RHYOPBQJJDCFNB-HNNXBMFYSA-N 0 0 321.417 3.145 20 10 DGCDRN CC[C@@H]([NH2+][C@@H]1CCc2nc(C)ncc2C1)c1ccc(F)cc1[O-] ZINC000367599891 529203628 /nfs/dbraw/zinc/20/36/28/529203628.db2.gz ILCJFBRUNRWKKN-GDBMZVCRSA-N 0 0 315.392 3.228 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Cc1cccnc1C ZINC000289109426 535261013 /nfs/dbraw/zinc/26/10/13/535261013.db2.gz SMVYPRUWOHPFPD-UHFFFAOYSA-N 0 0 312.413 3.467 20 10 DGCDRN CCN(Cc1nccn1C(F)F)c1ccc(OC)c(OC)c1 ZINC000299279202 535393342 /nfs/dbraw/zinc/39/33/42/535393342.db2.gz NOJJJHGLYIWWRQ-UHFFFAOYSA-N 0 0 311.332 3.322 20 10 DGCDRN CCN(Cc1noc(C(C)(C)C)n1)c1ccc(OC)c(OC)c1 ZINC000299286957 535397541 /nfs/dbraw/zinc/39/75/41/535397541.db2.gz QZMAYXMWZDXANQ-UHFFFAOYSA-N 0 0 319.405 3.411 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)c1cccc(Cl)c1[O-] ZINC000286866570 535931863 /nfs/dbraw/zinc/93/18/63/535931863.db2.gz BLZWRRRPOOJURA-UONOGXRCSA-N 0 0 322.836 3.288 20 10 DGCDRN CC[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000286356695 535945316 /nfs/dbraw/zinc/94/53/16/535945316.db2.gz ZMJLRWZNJAUHID-JKSUJKDBSA-N 0 0 307.340 3.445 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)c2nccs2)c1 ZINC000273395232 536793246 /nfs/dbraw/zinc/79/32/46/536793246.db2.gz FHNIXYAUVATNLF-QWRGUYRKSA-N 0 0 320.414 3.090 20 10 DGCDRN COc1ccccc1C1(C(=O)N(C)Cc2ccccc2O)CC1 ZINC000299579032 537006926 /nfs/dbraw/zinc/00/69/26/537006926.db2.gz BITUEAQDNULAIC-UHFFFAOYSA-N 0 0 311.381 3.091 20 10 DGCDRN CN(C)C(=O)Nc1cccc(NCc2ccc(N(C)C)cc2)c1 ZINC000294728929 546423497 /nfs/dbraw/zinc/42/34/97/546423497.db2.gz DFFGLWSLXISZBY-UHFFFAOYSA-N 0 0 312.417 3.458 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC(C)(C)C3)ccc21 ZINC000684081118 549576114 /nfs/dbraw/zinc/57/61/14/549576114.db2.gz BMWYYXQKEZVLEE-UHFFFAOYSA-N 0 0 314.429 3.387 20 10 DGCDRN Oc1cc2c(cc1C[N@@H+]1CC[C@@H](c3ccccc3F)C1)OCO2 ZINC000730454896 574529674 /nfs/dbraw/zinc/52/96/74/574529674.db2.gz PNUWEAPSODSWFJ-GFCCVEGCSA-N 0 0 315.344 3.250 20 10 DGCDRN CN(C)c1ccc([C@@H]2C[C@H]2C(=O)N(C)Cc2ccccc2O)cc1 ZINC000730590879 574532448 /nfs/dbraw/zinc/53/24/48/574532448.db2.gz VXCYKXHUUCOFSY-ZWKOTPCHSA-N 0 0 324.424 3.220 20 10 DGCDRN CSC[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000731324286 574546967 /nfs/dbraw/zinc/54/69/67/574546967.db2.gz GDHYWQQAAMAPHF-ZDUSSCGKSA-N 0 0 306.475 3.243 20 10 DGCDRN O=C(NCc1ccccc1O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000731455487 574549910 /nfs/dbraw/zinc/54/99/10/574549910.db2.gz LWBWUQPWPRYAQU-QWHCGFSZSA-N 0 0 303.308 3.090 20 10 DGCDRN Cc1ccc(CSCCNC(=O)C2=CC(=O)CS2)cc1 ZINC000731864454 574560619 /nfs/dbraw/zinc/56/06/19/574560619.db2.gz VPQXCWFUMBQTHZ-UHFFFAOYSA-N 0 0 307.440 3.425 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000731870708 574560602 /nfs/dbraw/zinc/56/06/02/574560602.db2.gz UTFXJQYWJZULAD-UHFFFAOYSA-N 0 0 322.474 3.182 20 10 DGCDRN C[C@H](OC(=O)C1=CC(=O)CS1)C(=O)c1ccc2c(c1)CCC2 ZINC000731910765 574561974 /nfs/dbraw/zinc/56/19/74/574561974.db2.gz CCMPGAMZMMJFBA-JTQLQIEISA-N 0 0 316.378 3.371 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)Cc2cccnc2)cc1 ZINC000731963465 574563740 /nfs/dbraw/zinc/56/37/40/574563740.db2.gz BEDPSZFRCNFVDO-UHFFFAOYSA-N 0 0 311.429 3.129 20 10 DGCDRN O=C(Nc1ccc(-n2ccnc2)c(F)c1)C1=CC(=O)CS1 ZINC000732275067 574569874 /nfs/dbraw/zinc/56/98/74/574569874.db2.gz RTTGQEBPAJHEBG-UHFFFAOYSA-N 0 0 303.318 3.031 20 10 DGCDRN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000732275827 574569902 /nfs/dbraw/zinc/56/99/02/574569902.db2.gz CJCQNSZZZFFSDW-OCCSQVGLSA-N 0 0 316.426 3.019 20 10 DGCDRN O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)C1=CC(=O)CS1 ZINC000732277526 574570128 /nfs/dbraw/zinc/57/01/28/574570128.db2.gz JQWFQISGTDXCLQ-CJNGLKHVSA-N 0 0 317.410 3.351 20 10 DGCDRN CC(=O)Nc1cc(NC(=O)C2=CC(=O)CS2)ccc1Cl ZINC000732277019 574570196 /nfs/dbraw/zinc/57/01/96/574570196.db2.gz AWVMDUVJXYXKPB-UHFFFAOYSA-N 0 0 310.762 3.318 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ncoc2C(C)C)c1 ZINC000732286594 574570943 /nfs/dbraw/zinc/57/09/43/574570943.db2.gz HQKJPHOLNKPUDM-JTQLQIEISA-N 0 0 304.346 3.003 20 10 DGCDRN COc1cc(CN(C)C(=O)C2=CC(=O)CS2)ccc1SC ZINC000732281063 574570396 /nfs/dbraw/zinc/57/03/96/574570396.db2.gz YQQXOXCODJPLSU-UHFFFAOYSA-N 0 0 323.439 3.456 20 10 DGCDRN COc1ccc([C@@H]2CCN(C(=O)C3=CC(=O)CS3)C2)cc1 ZINC000732280991 574570549 /nfs/dbraw/zinc/57/05/49/574570549.db2.gz LYSUICUIEGNZAK-GFCCVEGCSA-N 0 0 303.383 3.092 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C/C1CCOCC1 ZINC000732655830 574578201 /nfs/dbraw/zinc/57/82/01/574578201.db2.gz CLAQDVPUSYQZFH-JXMROGBWSA-N 0 0 316.445 3.084 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@]2(C)CCOC2)cc1 ZINC000733121140 574599304 /nfs/dbraw/zinc/59/93/04/574599304.db2.gz KXXZCLMWXYMIMO-LJQANCHMSA-N 0 0 312.413 3.251 20 10 DGCDRN COC[C@@H](C)OC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000733705398 574635181 /nfs/dbraw/zinc/63/51/81/574635181.db2.gz WPBFKVDYNADISI-GFCCVEGCSA-N 0 0 305.349 3.425 20 10 DGCDRN CC(C)CCO[C@H](C)C(=O)NCCCSc1nccs1 ZINC000733884266 574641564 /nfs/dbraw/zinc/64/15/64/574641564.db2.gz ORUOQXIZZNRHLF-GFCCVEGCSA-N 0 0 316.492 3.193 20 10 DGCDRN CC(C)CCO[C@@H](C)C(=O)NCCCSc1nccs1 ZINC000733884267 574641701 /nfs/dbraw/zinc/64/17/01/574641701.db2.gz ORUOQXIZZNRHLF-LBPRGKRZSA-N 0 0 316.492 3.193 20 10 DGCDRN O=C(C=C(C1CC1)C1CC1)NCCCSc1nccs1 ZINC000733975035 574645454 /nfs/dbraw/zinc/64/54/54/574645454.db2.gz VSMILRWMYKAFQE-UHFFFAOYSA-N 0 0 308.472 3.488 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccc(F)nc2)cc1 ZINC000733915211 574643173 /nfs/dbraw/zinc/64/31/73/574643173.db2.gz LZGMNGHPQZFXSX-UHFFFAOYSA-N 0 0 315.392 3.339 20 10 DGCDRN CCCCSCC(=O)NCCCSc1nccs1 ZINC000733972333 574645910 /nfs/dbraw/zinc/64/59/10/574645910.db2.gz DCDHLZOTRBMPSE-UHFFFAOYSA-N 0 0 304.506 3.275 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2ccc(C(C)C)cc2O)c1 ZINC000734017624 574648055 /nfs/dbraw/zinc/64/80/55/574648055.db2.gz RNPXPBXCQZRZQV-UHFFFAOYSA-N 0 0 315.369 3.160 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2cnc(C(C)(C)C)s2)c1 ZINC000734018887 574648158 /nfs/dbraw/zinc/64/81/58/574648158.db2.gz LQVXFTPLDPFMCM-UHFFFAOYSA-N 0 0 320.414 3.085 20 10 DGCDRN Cc1ccc2oc(C(=O)NCc3ccc(N(C)C)cc3C)cc2n1 ZINC000734404487 574659712 /nfs/dbraw/zinc/65/97/12/574659712.db2.gz GZYAQNHLPLIYSE-UHFFFAOYSA-N 0 0 323.396 3.441 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCCC[C@H]1C ZINC000734517955 574664310 /nfs/dbraw/zinc/66/43/10/574664310.db2.gz VSVHKMMPELOJNG-DYVFJYSZSA-N 0 0 303.450 3.439 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(Cl)nc1 ZINC000734516598 574664453 /nfs/dbraw/zinc/66/44/53/574664453.db2.gz DQKURRUSZKVFDI-UHFFFAOYSA-N 0 0 318.808 3.431 20 10 DGCDRN CC[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000734687484 574672509 /nfs/dbraw/zinc/67/25/09/574672509.db2.gz DENNPEOACPPUGI-HNNXBMFYSA-N 0 0 303.450 3.393 20 10 DGCDRN COc1ccc(CN[C@@H](CO)c2c(F)cccc2F)cc1C ZINC000734847780 574678656 /nfs/dbraw/zinc/67/86/56/574678656.db2.gz UNKZWPJICREKME-HNNXBMFYSA-N 0 0 307.340 3.105 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC2(C)CCCCC2)cc1F ZINC000734941734 574682938 /nfs/dbraw/zinc/68/29/38/574682938.db2.gz FGEHSBBGFALZCH-UHFFFAOYSA-N 0 0 307.413 3.414 20 10 DGCDRN Cc1ccc(OC2CCN(C(=O)C3=CC(=O)CS3)CC2)cc1 ZINC000735118430 574689164 /nfs/dbraw/zinc/68/91/64/574689164.db2.gz OCNMMBARUJQORQ-UHFFFAOYSA-N 0 0 317.410 3.446 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccnc(C)n2)cc1 ZINC000735637396 574710311 /nfs/dbraw/zinc/71/03/11/574710311.db2.gz DKMFTJICXWHSNI-UHFFFAOYSA-N 0 0 306.369 3.445 20 10 DGCDRN CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)NCc1ccccc1O ZINC000735754726 574714589 /nfs/dbraw/zinc/71/45/89/574714589.db2.gz AFGYNHCHFOLFME-HOCLYGCPSA-N 0 0 320.433 3.033 20 10 DGCDRN C[C@H]1CSCC[N@@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000736825987 574808094 /nfs/dbraw/zinc/80/80/94/574808094.db2.gz PGRRQIXLFICHKW-NSHDSACASA-N 0 0 317.410 3.181 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]Cc2ccc(C(=O)[O-])o2)cc1F ZINC000737095170 574823429 /nfs/dbraw/zinc/82/34/29/574823429.db2.gz YWAPKIXOPVQOAS-UHFFFAOYSA-N 0 0 320.364 3.253 20 10 DGCDRN CN1CCCN(C(=O)/C=C\c2cccnc2)c2ccc(F)cc21 ZINC000737621608 574853825 /nfs/dbraw/zinc/85/38/25/574853825.db2.gz DCLJTKNJUSFHPG-YVMONPNESA-N 0 0 311.360 3.107 20 10 DGCDRN CCN(CC)c1ccc(CN(C)CC(=O)NC2CCCC2)cc1 ZINC000741676631 574966394 /nfs/dbraw/zinc/96/63/94/574966394.db2.gz MXFCYEWBJRSQLM-UHFFFAOYSA-N 0 0 317.477 3.023 20 10 DGCDRN COc1cc(N(C)CC(F)(F)C(F)F)cc(OC)c1OC ZINC000741795957 574971572 /nfs/dbraw/zinc/97/15/72/574971572.db2.gz WQSBXNAQGURUFK-UHFFFAOYSA-N 0 0 311.275 3.049 20 10 DGCDRN COc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)c(C)c1 ZINC000741915688 574976112 /nfs/dbraw/zinc/97/61/12/574976112.db2.gz RTVVYEQCYGXTRP-UHFFFAOYSA-N 0 0 324.424 3.316 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cc(C(C)(C)C)on1 ZINC000741932492 574976782 /nfs/dbraw/zinc/97/67/82/574976782.db2.gz SBASPGKIVZVZBK-UHFFFAOYSA-N 0 0 315.417 3.277 20 10 DGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cncs1 ZINC000742469135 575001753 /nfs/dbraw/zinc/00/17/53/575001753.db2.gz ZICRZLYBNZRTHG-UHFFFAOYSA-N 0 0 301.415 3.063 20 10 DGCDRN CCCSCC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000742468343 575001775 /nfs/dbraw/zinc/00/17/75/575001775.db2.gz CLTVJNHGRYLAQR-UHFFFAOYSA-N 0 0 306.475 3.436 20 10 DGCDRN O=C(COC1CCCC1)NCc1ccc(N2CCCCC2)cc1 ZINC000742468372 575001678 /nfs/dbraw/zinc/00/16/78/575001678.db2.gz CWMPBUIIQJICDJ-UHFFFAOYSA-N 0 0 316.445 3.252 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cn1 ZINC000742476208 575002213 /nfs/dbraw/zinc/00/22/13/575002213.db2.gz NUPXXLFPKIPCGM-UHFFFAOYSA-N 0 0 309.413 3.310 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCOC1CCC1 ZINC000742818115 575020687 /nfs/dbraw/zinc/02/06/87/575020687.db2.gz SLCOZUKWBQBZJJ-UHFFFAOYSA-N 0 0 318.442 3.455 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)[C@H]2CCCS2)C2CC2)cc1 ZINC000743302391 575042378 /nfs/dbraw/zinc/04/23/78/575042378.db2.gz GDOOCSLIWOZAFY-MRXNPFEDSA-N 0 0 304.459 3.139 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@H](C)c2cccc(Cl)c2)c1 ZINC000743410895 575049768 /nfs/dbraw/zinc/04/97/68/575049768.db2.gz RAWBLMLHPQAUCW-LLVKDONJSA-N 0 0 319.788 3.474 20 10 DGCDRN Cc1ccccc1[C@@H]1CN(C(=O)C2=CC(=O)CS2)[C@H](C)CO1 ZINC000743710840 575061800 /nfs/dbraw/zinc/06/18/00/575061800.db2.gz WKRCMZVWOROPEC-DOMZBBRYSA-N 0 0 317.410 3.364 20 10 DGCDRN CO[C@H](CNC(=O)C1=CC(=O)CS1)c1cccc(Cl)c1 ZINC000743756712 575062768 /nfs/dbraw/zinc/06/27/68/575062768.db2.gz JYHRCWGDKKYJIO-GFCCVEGCSA-N 0 0 311.790 3.225 20 10 DGCDRN C[C@H](CNC(=O)C1=CC(=O)CS1)Oc1ccc(Cl)cc1 ZINC000743759599 575062931 /nfs/dbraw/zinc/06/29/31/575062931.db2.gz IPJUKGVAXHCQFI-SECBINFHSA-N 0 0 311.790 3.304 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C)c(F)c2)c1 ZINC000728979908 575198980 /nfs/dbraw/zinc/19/89/80/575198980.db2.gz QFJRNQIKPPBHSA-NSHDSACASA-N 0 0 303.333 3.339 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(F)cc2F)c1 ZINC000728983586 575199400 /nfs/dbraw/zinc/19/94/00/575199400.db2.gz BOTGJTJPDDBJBD-VIFPVBQESA-N 0 0 307.296 3.170 20 10 DGCDRN CCOc1ccccc1C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000729280978 575231909 /nfs/dbraw/zinc/23/19/09/575231909.db2.gz YGHDNLNHGPYREE-LBPRGKRZSA-N 0 0 315.369 3.291 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)C1CC1 ZINC000745324179 575390452 /nfs/dbraw/zinc/39/04/52/575390452.db2.gz XXIXTSYNVUDDTL-AWEZNQCLSA-N 0 0 303.450 3.471 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccoc1 ZINC000745775813 575416891 /nfs/dbraw/zinc/41/68/91/575416891.db2.gz VJAUKTSRDBPBDO-UHFFFAOYSA-N 0 0 315.417 3.466 20 10 DGCDRN C[C@H]1CC[C@H](C)N(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000745788452 575417676 /nfs/dbraw/zinc/41/76/76/575417676.db2.gz KWRZHZXDKCEBBT-GJZGRUSLSA-N 0 0 315.461 3.399 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H]2C2CCCCC2)c1 ZINC000745819826 575418785 /nfs/dbraw/zinc/41/87/85/575418785.db2.gz GUIFUAVQWOJLOS-JKSUJKDBSA-N 0 0 318.417 3.169 20 10 DGCDRN Cc1cc(C(=O)CN2C[C@H]3CC[C@@H](C2)O3)c(C)n1-c1ccccc1 ZINC000745987279 575426566 /nfs/dbraw/zinc/42/65/66/575426566.db2.gz SCORAMNLBUKUQH-HDICACEKSA-N 0 0 324.424 3.140 20 10 DGCDRN CCN(CC(=O)N1C[C@@H](C)C[C@H](C)C1)c1ccc(OC)cc1 ZINC000746109009 575433199 /nfs/dbraw/zinc/43/31/99/575433199.db2.gz HLCHHNRZGUHYIZ-GJZGRUSLSA-N 0 0 304.434 3.026 20 10 DGCDRN CCN(CC(=O)Nc1c(F)cccc1F)c1ccc(OC)cc1 ZINC000746108948 575433200 /nfs/dbraw/zinc/43/32/00/575433200.db2.gz GHRYHOSSQPLDPJ-UHFFFAOYSA-N 0 0 320.339 3.438 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)COC2(C)CCC2)cc1F ZINC000746166307 575437520 /nfs/dbraw/zinc/43/75/20/575437520.db2.gz CGRZIUKDYPXALI-UHFFFAOYSA-N 0 0 322.424 3.247 20 10 DGCDRN CCC(C)(C)NC(=O)CN(CC(C)C)c1ccc(OC)cc1 ZINC000746171315 575437571 /nfs/dbraw/zinc/43/75/71/575437571.db2.gz ZLMZTJATRZOCHN-UHFFFAOYSA-N 0 0 306.450 3.462 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)C(C)(C)O)c(C)n1-c1ccccc1C ZINC000746333474 575446980 /nfs/dbraw/zinc/44/69/80/575446980.db2.gz JZWMEAZQFMYEIG-OAHLLOKOSA-N 0 0 314.429 3.292 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)C(C)(C)O)c(C)n1-c1ccc(F)cc1 ZINC000746337217 575447630 /nfs/dbraw/zinc/44/76/30/575447630.db2.gz PIRSZRZRDGJEIF-CYBMUJFWSA-N 0 0 318.392 3.122 20 10 DGCDRN COC(=O)CNc1ccc(Cl)cc1C(=O)c1ccccc1F ZINC000746720971 575471795 /nfs/dbraw/zinc/47/17/95/575471795.db2.gz RMVOCURJBKTRPX-UHFFFAOYSA-N 0 0 321.735 3.295 20 10 DGCDRN C[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)C(C)(C)C1 ZINC000746754660 575473399 /nfs/dbraw/zinc/47/33/99/575473399.db2.gz KYRBJDCUAIIPRO-AWEZNQCLSA-N 0 0 315.461 3.399 20 10 DGCDRN Cn1cc(/C=C\C(=O)N2CC(C)(C)c3c2cccc3Cl)cn1 ZINC000746817572 575476551 /nfs/dbraw/zinc/47/65/51/575476551.db2.gz OAKGHSSBGLEZIM-FPLPWBNLSA-N 0 0 315.804 3.411 20 10 DGCDRN COC[C@H](OC(=O)c1cc(C)n(-c2ccccn2)c1C)C(C)C ZINC000747164310 575501426 /nfs/dbraw/zinc/50/14/26/575501426.db2.gz SJILUEOWGRKOMU-INIZCTEOSA-N 0 0 316.401 3.317 20 10 DGCDRN CN(c1ccc(CNC(=O)c2ccon2)cc1)C1CCCCC1 ZINC000747163980 575501451 /nfs/dbraw/zinc/50/14/51/575501451.db2.gz GBAIBONTEUEYTL-UHFFFAOYSA-N 0 0 313.401 3.374 20 10 DGCDRN Cc1cc(C(=O)CSCCO)c(C)n1-c1cccc(F)c1 ZINC000747836681 575545636 /nfs/dbraw/zinc/54/56/36/575545636.db2.gz DSKKDYNOEIIDOF-UHFFFAOYSA-N 0 0 307.390 3.141 20 10 DGCDRN O=C(NCc1ccccc1O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000748345382 575581374 /nfs/dbraw/zinc/58/13/74/575581374.db2.gz BEXUKTVUWBREDF-CABCVRRESA-N 0 0 301.773 3.466 20 10 DGCDRN O=C(NCc1ccccc1O)c1cc2ccc(Cl)cc2[nH]1 ZINC000748347187 575581429 /nfs/dbraw/zinc/58/14/29/575581429.db2.gz YXNNWTVNQWUOJB-UHFFFAOYSA-N 0 0 300.745 3.457 20 10 DGCDRN O=C(COc1cccc2ccccc21)NCc1ccccc1O ZINC000748354166 575583021 /nfs/dbraw/zinc/58/30/21/575583021.db2.gz GFNOMHHUHDQOHG-UHFFFAOYSA-N 0 0 307.349 3.241 20 10 DGCDRN Cc1ccc(Cl)c(OCC(=O)NCc2ccccc2O)c1 ZINC000748354893 575583084 /nfs/dbraw/zinc/58/30/84/575583084.db2.gz OWZICCNOWZZYNM-UHFFFAOYSA-N 0 0 305.761 3.049 20 10 DGCDRN COc1ccccc1C[C@H](C)N(C)C(=O)C1=CC(=O)CS1 ZINC000748362428 575583217 /nfs/dbraw/zinc/58/32/17/575583217.db2.gz FSLODMXZKVBSGO-NSHDSACASA-N 0 0 305.399 3.166 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000748443434 575586844 /nfs/dbraw/zinc/58/68/44/575586844.db2.gz OUNWBRBOVROQBS-UHFFFAOYSA-N 0 0 322.267 3.035 20 10 DGCDRN CCC(=O)Nc1ccc(NC(=O)NCc2ccccc2O)cc1 ZINC000748445075 575587109 /nfs/dbraw/zinc/58/71/09/575587109.db2.gz ZNHQFZCCBLZJJO-UHFFFAOYSA-N 0 0 313.357 3.062 20 10 DGCDRN C[C@H](NC(=O)NCc1ccccc1O)c1ccc(F)c(F)c1 ZINC000748463505 575588670 /nfs/dbraw/zinc/58/86/70/575588670.db2.gz UBEDLENMQSZOQL-JTQLQIEISA-N 0 0 306.312 3.231 20 10 DGCDRN CC(C)C[C@@H]1CCCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000748819124 575609536 /nfs/dbraw/zinc/60/95/36/575609536.db2.gz CMYWRENXSDVKIF-KRWDZBQOSA-N 0 0 303.450 3.473 20 10 DGCDRN O=C(NCc1cccc(-c2ccccn2)c1)C1=CC(=O)CS1 ZINC000749290921 575642470 /nfs/dbraw/zinc/64/24/70/575642470.db2.gz FYIOCCLIBQKRFY-UHFFFAOYSA-N 0 0 310.378 3.446 20 10 DGCDRN Cc1cc(C(=O)NCC[C@H](C)O)c(C)n1-c1cc(C)cc(C)c1 ZINC000749393512 575651717 /nfs/dbraw/zinc/65/17/17/575651717.db2.gz MYPYNDVKHJJZCV-HNNXBMFYSA-N 0 0 314.429 3.212 20 10 DGCDRN CCOc1ccc(N(C)Cc2ccc(-n3ccnc3)nc2)cc1 ZINC000750047798 575699993 /nfs/dbraw/zinc/69/99/93/575699993.db2.gz RCOMMMQIEVBLDW-UHFFFAOYSA-N 0 0 308.385 3.302 20 10 DGCDRN COC[C@H](NC(=O)c1sccc1-n1c(C)ccc1C)C1CC1 ZINC000750167598 575709426 /nfs/dbraw/zinc/70/94/26/575709426.db2.gz ZDHMNMBTPGXTBC-AWEZNQCLSA-N 0 0 318.442 3.310 20 10 DGCDRN S=C(NN=c1nccc[nH]1)Nc1ccccc1-c1ccccc1 ZINC000750986555 575765814 /nfs/dbraw/zinc/76/58/14/575765814.db2.gz KAAJQJWJASNAFT-UHFFFAOYSA-N 0 0 321.409 3.457 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCOCC1CC1 ZINC000751227488 575776166 /nfs/dbraw/zinc/77/61/66/575776166.db2.gz IGVJAFNFEVGHFE-UHFFFAOYSA-N 0 0 318.461 3.306 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)[C@H]1C[C@@H]1C1CC1 ZINC000751306036 575779679 /nfs/dbraw/zinc/77/96/79/575779679.db2.gz OPGZCXXLYIHWAY-KGLIPLIRSA-N 0 0 318.380 3.381 20 10 DGCDRN CCc1cccc(C(=O)N[C@H](C)c2cc(OC)ccc2O)c1O ZINC000751388177 575783539 /nfs/dbraw/zinc/78/35/39/575783539.db2.gz CPZDXTKWWZZUKH-LLVKDONJSA-N 0 0 315.369 3.160 20 10 DGCDRN Nc1ccc(Cc2nc(C(=O)OCC3CCC3)cs2)cc1 ZINC000751945462 575813888 /nfs/dbraw/zinc/81/38/88/575813888.db2.gz OPTZFQMXZOQRAT-UHFFFAOYSA-N 0 0 302.399 3.273 20 10 DGCDRN Cc1nc(C(=O)NCc2ccc(N(C)C)cc2C)c(C)s1 ZINC000751975112 575815677 /nfs/dbraw/zinc/81/56/77/575815677.db2.gz WOZCKHGZVVHYSG-UHFFFAOYSA-N 0 0 303.431 3.064 20 10 DGCDRN COc1ccc(N(C)Cc2cnc(OC)c(Cl)c2)c(OC)c1 ZINC000752125185 575824367 /nfs/dbraw/zinc/82/43/67/575824367.db2.gz BAYQEPSMAAIIAR-UHFFFAOYSA-N 0 0 322.792 3.397 20 10 DGCDRN COc1ccc(N(C)CCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000752126851 575824411 /nfs/dbraw/zinc/82/44/11/575824411.db2.gz VWZVNFFQBFWZRU-UHFFFAOYSA-N 0 0 316.357 3.291 20 10 DGCDRN C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C(F)(F)F ZINC000742523962 575842431 /nfs/dbraw/zinc/84/24/31/575842431.db2.gz IQPKVYVEXTYHFG-LLVKDONJSA-N 0 0 314.351 3.442 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)c3ccc(C)cc3)CC2)cc1 ZINC000726562591 576031002 /nfs/dbraw/zinc/03/10/02/576031002.db2.gz PYNWUZGJUOJNFG-UHFFFAOYSA-N 0 0 324.424 3.402 20 10 DGCDRN CO[C@@H](C)CCNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000726547372 576031333 /nfs/dbraw/zinc/03/13/33/576031333.db2.gz FEHYTLUJQKQSII-HNNXBMFYSA-N 0 0 300.402 3.249 20 10 DGCDRN Cn1c(-c2ccccc2)cnc1SCC(=O)NCC1CCC1 ZINC000726865359 576046308 /nfs/dbraw/zinc/04/63/08/576046308.db2.gz AHBZUNJRMHGSMF-UHFFFAOYSA-N 0 0 315.442 3.096 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cnc(CC)s1 ZINC000727171020 576110965 /nfs/dbraw/zinc/11/09/65/576110965.db2.gz LZLBBEIXDQBSGI-UHFFFAOYSA-N 0 0 304.415 3.464 20 10 DGCDRN CCC(=O)COC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000727180169 576111246 /nfs/dbraw/zinc/11/12/46/576111246.db2.gz XYXGBAQPHKDJFR-UHFFFAOYSA-N 0 0 303.333 3.369 20 10 DGCDRN C[C@H]1CC[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000728196878 576168722 /nfs/dbraw/zinc/16/87/22/576168722.db2.gz PXCRECPCJSIPIV-ZDUSSCGKSA-N 0 0 311.381 3.171 20 10 DGCDRN C[C@H]1C[C@H]1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000916826550 620645961 /nfs/dbraw/zinc/64/59/61/620645961.db2.gz HYOZIQVPKSHKOB-ZUZCIYMTSA-N 0 0 305.333 3.057 20 10 DGCDRN CCC(C)(C)NC(=O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917074193 620654877 /nfs/dbraw/zinc/65/48/77/620654877.db2.gz TXODFSVYMZBFMG-UHFFFAOYSA-N 0 0 317.477 3.022 20 10 DGCDRN COc1ccc(CN2CC[C@@H](Sc3nccs3)C2=O)cc1 ZINC000853016999 620660568 /nfs/dbraw/zinc/66/05/68/620660568.db2.gz YUXHIMDWBVUBJL-CYBMUJFWSA-N 0 0 320.439 3.045 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)CCCn1cnc2ccccc21 ZINC000917312586 620663380 /nfs/dbraw/zinc/66/33/80/620663380.db2.gz RLIHFHQOWFFHIH-UHFFFAOYSA-N 0 0 323.396 3.181 20 10 DGCDRN CCOCCCNC(=O)c1sccc1-n1c(C)ccc1C ZINC000917393668 620667048 /nfs/dbraw/zinc/66/70/48/620667048.db2.gz RKVVPUAZHJRXOY-UHFFFAOYSA-N 0 0 306.431 3.312 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)O[C@H](C)c1nc[nH]n1 ZINC000853218504 620678543 /nfs/dbraw/zinc/67/85/43/620678543.db2.gz ORCYXOQMOQIHHG-LLVKDONJSA-N 0 0 316.386 3.192 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc(F)cc(F)c1[O-] ZINC000853242056 620681394 /nfs/dbraw/zinc/68/13/94/620681394.db2.gz ZUPRWVGLYZETHW-OCCSQVGLSA-N 0 0 324.415 3.443 20 10 DGCDRN C[C@@H]1C[C@@H](C)CN(C(=O)NCCCSc2nccs2)C1 ZINC000154594001 620690887 /nfs/dbraw/zinc/69/08/87/620690887.db2.gz MBLYNGIUBGIZHA-VXGBXAGGSA-N 0 0 313.492 3.313 20 10 DGCDRN C[C@H](N(C)C(=O)NCCCSc1nccs1)C1(C)CC1 ZINC000154603935 620692874 /nfs/dbraw/zinc/69/28/74/620692874.db2.gz VABMKCSPWKJLFB-NSHDSACASA-N 0 0 313.492 3.455 20 10 DGCDRN C[C@@H]1C[C@@H]1c1ccc(CNC(=O)N(C)Cc2ccccc2O)o1 ZINC000918077976 620696362 /nfs/dbraw/zinc/69/63/62/620696362.db2.gz KWLWZBLOXMOHMT-DOMZBBRYSA-N 0 0 314.385 3.450 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2C3CCC2CC3)cc1 ZINC000918228390 620702655 /nfs/dbraw/zinc/70/26/55/620702655.db2.gz JGZUGSTVLLPBLF-UHFFFAOYSA-N 0 0 301.434 3.369 20 10 DGCDRN CCOCCNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000918602114 620716671 /nfs/dbraw/zinc/71/66/71/620716671.db2.gz GMWXAHVTYQENNT-UHFFFAOYSA-N 0 0 300.402 3.169 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N(C)Cc2ccoc2)cc1 ZINC000918780611 620724759 /nfs/dbraw/zinc/72/47/59/620724759.db2.gz CHASTWUHPIWMFR-UHFFFAOYSA-N 0 0 315.417 3.467 20 10 DGCDRN CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000840845602 617948034 /nfs/dbraw/zinc/94/80/34/617948034.db2.gz BZUCFLCHYGCKEV-ONUMYQOESA-N 0 0 301.361 3.494 20 10 DGCDRN COc1ccc(N2CC[C@H](Nc3noc(C(C)(C)C)n3)C2)cc1 ZINC000853758895 620734247 /nfs/dbraw/zinc/73/42/47/620734247.db2.gz MFMGNLWYKOMTRU-LBPRGKRZSA-N 0 0 316.405 3.067 20 10 DGCDRN CCc1cc(C)nc(N[C@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000853759298 620734327 /nfs/dbraw/zinc/73/43/27/620734327.db2.gz RSSYBOMRNUMLJR-HNNXBMFYSA-N 0 0 312.417 3.047 20 10 DGCDRN CCc1cc(N[C@@H]2CCN(c3ccc(OC)cc3)C2)nc(C)n1 ZINC000853758355 620734340 /nfs/dbraw/zinc/73/43/40/620734340.db2.gz CQQDNHRBRMIKGU-OAHLLOKOSA-N 0 0 312.417 3.047 20 10 DGCDRN C[C@H](NS(=O)(=O)CCCc1ccccc1)c1ccccc1O ZINC000919117899 620736525 /nfs/dbraw/zinc/73/65/25/620736525.db2.gz HLIWFWMDHKZKQX-AWEZNQCLSA-N 0 0 319.426 3.005 20 10 DGCDRN C[C@@H](NS(=O)(=O)CCCc1ccccc1)c1ccccc1O ZINC000919117901 620736654 /nfs/dbraw/zinc/73/66/54/620736654.db2.gz HLIWFWMDHKZKQX-CQSZACIVSA-N 0 0 319.426 3.005 20 10 DGCDRN CC[C@@H]([NH2+][C@H]1CCn2ccnc2C1)c1cccc(Cl)c1[O-] ZINC000806159998 617618724 /nfs/dbraw/zinc/61/87/24/617618724.db2.gz DAOMWNQNGNLLSG-SMDDNHRTSA-N 0 0 305.809 3.298 20 10 DGCDRN CSCc1ccc(CNC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000804702221 617654144 /nfs/dbraw/zinc/65/41/44/617654144.db2.gz UVLCRENRKGFHIP-UHFFFAOYSA-N 0 0 317.410 3.199 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1ccns1 ZINC000889099641 617655521 /nfs/dbraw/zinc/65/55/21/617655521.db2.gz INCCJUGDIDVKDZ-GFCCVEGCSA-N 0 0 318.446 3.270 20 10 DGCDRN CC[C@@H](C)CC[C@H](O)CC(=O)NCc1cccc(Cl)c1O ZINC000890759096 617656415 /nfs/dbraw/zinc/65/64/15/617656415.db2.gz BZIWSMOCLONTCQ-YPMHNXCESA-N 0 0 313.825 3.239 20 10 DGCDRN CC(C)[C@H](C(=O)NCc1cccc(Cl)c1O)c1cccnc1 ZINC000890759903 617657106 /nfs/dbraw/zinc/65/71/06/617657106.db2.gz VJZOYJFFSCPIAS-HNNXBMFYSA-N 0 0 318.804 3.497 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)C1(C(F)(F)F)CCC1 ZINC000890761003 617657111 /nfs/dbraw/zinc/65/71/11/617657111.db2.gz IBNBJVQYAVVSAZ-UHFFFAOYSA-N 0 0 307.699 3.394 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000890762482 617657843 /nfs/dbraw/zinc/65/78/43/617657843.db2.gz DRZWKPMWYFTCHF-YOGCLGLASA-N 0 0 311.834 3.336 20 10 DGCDRN CC1(C)CO[C@H](CCC(=O)NCc2cccc(Cl)c2O)C1 ZINC000890762448 617657957 /nfs/dbraw/zinc/65/79/57/617657957.db2.gz CURWDBWCNDDQLE-GFCCVEGCSA-N 0 0 311.809 3.257 20 10 DGCDRN CCn1nc(C2CC2)cc1C(=O)NCc1cccc(Cl)c1O ZINC000890763591 617659191 /nfs/dbraw/zinc/65/91/91/617659191.db2.gz YSIUXLUNBLZUCI-UHFFFAOYSA-N 0 0 319.792 3.069 20 10 DGCDRN CC(C)C[C@@H](C)C(=O)NCc1cc(Br)ccc1O ZINC000804735689 617661897 /nfs/dbraw/zinc/66/18/97/617661897.db2.gz HARLEFFMTRQWJY-SNVBAGLBSA-N 0 0 314.223 3.453 20 10 DGCDRN Cc1cc(C(=O)NCc2cc(Br)ccc2O)oc1C ZINC000804734666 617661930 /nfs/dbraw/zinc/66/19/30/617661930.db2.gz VRMKKSFQIIRNCO-UHFFFAOYSA-N 0 0 324.174 3.295 20 10 DGCDRN O=C(C[C@H]1C=CCC1)NCc1cc(Br)ccc1O ZINC000804737676 617662136 /nfs/dbraw/zinc/66/21/36/617662136.db2.gz VXWYUTMCCASLTG-JTQLQIEISA-N 0 0 310.191 3.127 20 10 DGCDRN CO[C@H](C)CN(C)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000804840686 617699242 /nfs/dbraw/zinc/69/92/42/617699242.db2.gz OARMYQKDLOFFBU-CYBMUJFWSA-N 0 0 318.392 3.340 20 10 DGCDRN C/C(=C/C(=O)N(CC(C)(C)C)c1ccccn1)c1cnccn1 ZINC000891492110 617814169 /nfs/dbraw/zinc/81/41/69/617814169.db2.gz FGTVHZYMBGQQHK-KAMYIIQDSA-N 0 0 310.401 3.354 20 10 DGCDRN CN(C)c1ccc(CN(Cc2nccn2C2CC2)C2CC2)cc1 ZINC000891595671 617847252 /nfs/dbraw/zinc/84/72/52/617847252.db2.gz DBYGLYHJIATYKD-UHFFFAOYSA-N 0 0 310.445 3.449 20 10 DGCDRN CCn1ccc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])n1 ZINC000840840681 617872244 /nfs/dbraw/zinc/87/22/44/617872244.db2.gz NMSMBGWRNUBVKW-SNVBAGLBSA-N 0 0 313.323 3.478 20 10 DGCDRN COC(=O)/C=C\c1ccc(Sc2nccs2)c([N+](=O)[O-])c1 ZINC000919722794 620763056 /nfs/dbraw/zinc/76/30/56/620763056.db2.gz QJYBJANVQCOMJE-HYXAFXHYSA-N 0 0 322.367 3.389 20 10 DGCDRN CN(CC1CCC1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000111845462 620764186 /nfs/dbraw/zinc/76/41/86/620764186.db2.gz JMZNHWPXQHHPII-UHFFFAOYSA-N 0 0 301.434 3.011 20 10 DGCDRN C[C@H](Nc1nccnc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000892025020 617946463 /nfs/dbraw/zinc/94/64/63/617946463.db2.gz JLGJULYLUQIGKE-LBPRGKRZSA-N 0 0 318.808 3.140 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CCC[C@H](C3CCC3)CC2)cc1 ZINC000892038693 617949506 /nfs/dbraw/zinc/94/95/06/617949506.db2.gz HRXATTIKFBNZAH-KRWDZBQOSA-N 0 0 315.461 3.423 20 10 DGCDRN COc1cc(NCc2ccc(OC)c(OC)c2O)cc(OC)c1 ZINC000892308134 618015645 /nfs/dbraw/zinc/01/56/45/618015645.db2.gz SAPATDXWEFGJBV-UHFFFAOYSA-N 0 0 319.357 3.039 20 10 DGCDRN CN(C(=O)C1=CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccsc1 ZINC000892559701 618108751 /nfs/dbraw/zinc/10/87/51/618108751.db2.gz MJRDDFDOKMFGNZ-GFCCVEGCSA-N 0 0 322.430 3.324 20 10 DGCDRN CN(C)c1ccc(CN(Cc2nnc(C3CC3)o2)C2CC2)cc1 ZINC000920206954 620789807 /nfs/dbraw/zinc/78/98/07/620789807.db2.gz SKLQBZVOSPVXOX-UHFFFAOYSA-N 0 0 312.417 3.178 20 10 DGCDRN CCC/C(C)=C\C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000920223023 620791717 /nfs/dbraw/zinc/79/17/17/620791717.db2.gz YMIVYAKBMZZPDJ-KAMYIIQDSA-N 0 0 320.408 3.025 20 10 DGCDRN COc1cc(N(C)Cc2nc(C(C)C)c[nH]2)cc(OC)c1OC ZINC000894429579 618325213 /nfs/dbraw/zinc/32/52/13/618325213.db2.gz LKMPYWSKYPEEJM-UHFFFAOYSA-N 0 0 319.405 3.195 20 10 DGCDRN COc1cc(C)cc(CNc2cccc(CCCO)c2)c1O ZINC000894438983 618333000 /nfs/dbraw/zinc/33/30/00/618333000.db2.gz KXHRVCRFQHSXEU-UHFFFAOYSA-N 0 0 301.386 3.246 20 10 DGCDRN COc1ccc(N(C)CC(=O)Nc2cccc(C)c2)cc1OC ZINC000920418774 620800018 /nfs/dbraw/zinc/80/00/18/620800018.db2.gz GAUFGEPEHHAUQM-UHFFFAOYSA-N 0 0 314.385 3.087 20 10 DGCDRN COc1ccc(CN(C)Cc2c(F)cccc2F)c(O)c1OC ZINC000894631574 618406278 /nfs/dbraw/zinc/40/62/78/618406278.db2.gz HQUVJSOIXOVJHB-UHFFFAOYSA-N 0 0 323.339 3.320 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000894779605 618454662 /nfs/dbraw/zinc/45/46/62/618454662.db2.gz JOMOWKGADABWTD-OLZOCXBDSA-N 0 0 311.372 3.309 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)OCCC(F)(F)F ZINC000866899846 618493747 /nfs/dbraw/zinc/49/37/47/618493747.db2.gz XJKSLTDFGITPFL-UHFFFAOYSA-N 0 0 318.295 3.040 20 10 DGCDRN CCSCC[C@H](C)NC(=O)NCc1cccc(Cl)c1O ZINC000893345243 618524066 /nfs/dbraw/zinc/52/40/66/618524066.db2.gz YSYDNOYRUHYMLG-JTQLQIEISA-N 0 0 316.854 3.377 20 10 DGCDRN CO[C@@H](C)[C@@H](C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000854529053 620813942 /nfs/dbraw/zinc/81/39/42/620813942.db2.gz YPNHYFKOGMTDBD-ZBFHGGJFSA-N 0 0 314.429 3.176 20 10 DGCDRN COc1ccc(N(C)Cc2cn3ccnc3s2)cc1OC ZINC000893572297 618609719 /nfs/dbraw/zinc/60/97/19/618609719.db2.gz GDHLZNFQMHLBSH-UHFFFAOYSA-N 0 0 303.387 3.049 20 10 DGCDRN Cc1cc(O)c(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c(Cl)c1 ZINC000840940593 618613667 /nfs/dbraw/zinc/61/36/67/618613667.db2.gz HNXJQVJDRYXMLF-CQSZACIVSA-N 0 0 318.804 3.402 20 10 DGCDRN COc1ccc(CN2C[C@H](C)Oc3ccccc32)c(O)c1OC ZINC000893613986 618616741 /nfs/dbraw/zinc/61/67/41/618616741.db2.gz IXSQJRVKMHEULZ-LBPRGKRZSA-N 0 0 315.369 3.197 20 10 DGCDRN CO[C@@](C)([C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000840961029 618639168 /nfs/dbraw/zinc/63/91/68/618639168.db2.gz PKBJIANFXWJULI-VFZGTOFNSA-N 0 0 301.789 3.478 20 10 DGCDRN C[N@H+](Cc1cc(Br)cc(F)c1[O-])[C@H]1CCSC1 ZINC000893928842 618677529 /nfs/dbraw/zinc/67/75/29/618677529.db2.gz GFTCMZJEWZWBNQ-JTQLQIEISA-N 0 0 320.227 3.231 20 10 DGCDRN Oc1c(CNc2ncnc3c2CCCC3)ccc2cccnc21 ZINC000894256634 618741736 /nfs/dbraw/zinc/74/17/36/618741736.db2.gz IRXKBEGFJJRLPM-UHFFFAOYSA-N 0 0 306.369 3.221 20 10 DGCDRN CSCC(C)(C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000894286251 618752386 /nfs/dbraw/zinc/75/23/86/618752386.db2.gz NRYHDRUPECHUEO-GFCCVEGCSA-N 0 0 309.479 3.254 20 10 DGCDRN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)Nc1ccc(N)cc1 ZINC000841295541 618776031 /nfs/dbraw/zinc/77/60/31/618776031.db2.gz AZMLWKHLTHKJME-LLVKDONJSA-N 0 0 315.421 3.411 20 10 DGCDRN COCc1ccc(NCc2cc(C)cc(OC)c2O)cc1OC ZINC000895410522 618780516 /nfs/dbraw/zinc/78/05/16/618780516.db2.gz HXGGSEGWDSIARX-UHFFFAOYSA-N 0 0 317.385 3.476 20 10 DGCDRN COc1ccc(CN2Cc3cccc(O)c3C2)c(F)c1OC ZINC000895449040 618786276 /nfs/dbraw/zinc/78/62/76/618786276.db2.gz DKOJOUWCVAOFOC-UHFFFAOYSA-N 0 0 303.333 3.064 20 10 DGCDRN CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000895577451 618801024 /nfs/dbraw/zinc/80/10/24/618801024.db2.gz KUNSPZMDWKCSDN-LBPRGKRZSA-N 0 0 309.715 3.199 20 10 DGCDRN CC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCCOC1 ZINC000895661967 618813687 /nfs/dbraw/zinc/81/36/87/618813687.db2.gz BSDVUESFIIUWKO-HZMBPMFUSA-N 0 0 301.789 3.480 20 10 DGCDRN CC1([NH+]2CCC2)CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000895669766 618816069 /nfs/dbraw/zinc/81/60/69/618816069.db2.gz BQOFRZFPZZQQBN-UHFFFAOYSA-N 0 0 312.816 3.245 20 10 DGCDRN Cc1cccc(CN=[S@](C)(=O)c2ccc(N(C)C)cc2)c1O ZINC000895734673 618825862 /nfs/dbraw/zinc/82/58/62/618825862.db2.gz PNBUBDHNTXLKNG-JOCHJYFZSA-N 0 0 318.442 3.424 20 10 DGCDRN Cn1cc(/C=C/C(=O)N2CCCc3cc(F)cc(Cl)c32)cn1 ZINC000841306339 618829021 /nfs/dbraw/zinc/82/90/21/618829021.db2.gz WCVREXFUBKDJHT-SNAWJCMRSA-N 0 0 319.767 3.205 20 10 DGCDRN C[C@]1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CCOC2(CCC2)C1 ZINC000895822021 618836119 /nfs/dbraw/zinc/83/61/19/618836119.db2.gz MFQSHLGVDSJLDR-INIZCTEOSA-N 0 0 311.372 3.499 20 10 DGCDRN COc1ccc(CNc2ccc(N(C)C)c(F)c2)c(O)c1OC ZINC000895872066 618843234 /nfs/dbraw/zinc/84/32/34/618843234.db2.gz DJAITIXCSKXTJL-UHFFFAOYSA-N 0 0 320.364 3.227 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cncc(C(C)=O)c1 ZINC000896057593 618867836 /nfs/dbraw/zinc/86/78/36/618867836.db2.gz LGVLNJBMIILIPH-UHFFFAOYSA-N 0 0 312.369 3.042 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CCC(F)(C3CC3)CC2)cc1OC ZINC000896239195 618891949 /nfs/dbraw/zinc/89/19/49/618891949.db2.gz IHPSHHGCGZOMNM-UHFFFAOYSA-N 0 0 324.352 3.331 20 10 DGCDRN COc1ccc(O)c(CNC(=O)CCCCc2ccccc2)c1 ZINC000896360160 618904500 /nfs/dbraw/zinc/90/45/00/618904500.db2.gz ARKRIOUMWDMABZ-UHFFFAOYSA-N 0 0 313.397 3.430 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCC(=O)C1CCCCCC1 ZINC000788958870 625302882 /nfs/dbraw/zinc/30/28/82/625302882.db2.gz WYFSVKXCPMIOFZ-NTMALXAHSA-N 0 0 318.369 3.194 20 10 DGCDRN COc1cc(Cl)cc(CN[C@H](c2ncccn2)C2CC2)c1O ZINC000896600277 618933254 /nfs/dbraw/zinc/93/32/54/618933254.db2.gz VQGKAZYGEGGJCP-AWEZNQCLSA-N 0 0 319.792 3.085 20 10 DGCDRN COc1ccc(C[NH2+][C@H](c2ccccn2)C2CC2)c(O)c1OC ZINC000896609480 618934823 /nfs/dbraw/zinc/93/48/23/618934823.db2.gz OHDWFUCNRXNJTK-INIZCTEOSA-N 0 0 314.385 3.045 20 10 DGCDRN CC[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCS1 ZINC000896751776 618954029 /nfs/dbraw/zinc/95/40/29/618954029.db2.gz PBTDDOOYKHJFKN-JTQLQIEISA-N 0 0 323.439 3.280 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=S)NC1(C)CCC1 ZINC000840705003 618966998 /nfs/dbraw/zinc/96/69/98/618966998.db2.gz UBZMRGZUDJFNJH-UHFFFAOYSA-N 0 0 305.491 3.392 20 10 DGCDRN Cc1nc(C2CC2)ccc1C(=O)NCc1c(O)cccc1F ZINC000928705484 619058693 /nfs/dbraw/zinc/05/86/93/619058693.db2.gz IUYKGYCVZHPJEZ-UHFFFAOYSA-N 0 0 300.333 3.042 20 10 DGCDRN CCOc1ccc(C[NH2+][C@H](CCC(C)(C)C)C(=O)[O-])c(O)c1 ZINC000840998707 619110900 /nfs/dbraw/zinc/11/09/00/619110900.db2.gz OPYKWUAGNPKUFQ-CQSZACIVSA-N 0 0 309.406 3.160 20 10 DGCDRN CCCCCN(CCCCC)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841010738 619150355 /nfs/dbraw/zinc/15/03/55/619150355.db2.gz SJRNGNHEQBHDFU-UHFFFAOYSA-N 0 0 319.449 3.416 20 10 DGCDRN CCC[C@@H](CCO)[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000865663661 619165074 /nfs/dbraw/zinc/16/50/74/619165074.db2.gz VODSEQMMWZXUFW-LBPRGKRZSA-N 0 0 316.239 3.104 20 10 DGCDRN C[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)S2)c1ccccc1O ZINC000897685815 619173545 /nfs/dbraw/zinc/17/35/45/619173545.db2.gz UMGIPCJACGKFPW-WODVXLOZSA-N 0 0 306.431 3.179 20 10 DGCDRN O=C(NCCC1(F)CCC1)c1cc2cc(O)c(O)cc2s1 ZINC000897767695 619178286 /nfs/dbraw/zinc/17/82/86/619178286.db2.gz ZXARVFDUEVUCDH-UHFFFAOYSA-N 0 0 309.362 3.325 20 10 DGCDRN CCN(C)c1ccc(Cn2cc([C@@H]3CCCCO3)nn2)cc1 ZINC000881313851 625324468 /nfs/dbraw/zinc/32/44/68/625324468.db2.gz VFDYFYFLASVBSJ-KRWDZBQOSA-N 0 0 300.406 3.024 20 10 DGCDRN COc1cc(C[C@@H](C)[NH2+]Cc2cccc(Cl)c2[O-])ccn1 ZINC000898218410 619222265 /nfs/dbraw/zinc/22/22/65/619222265.db2.gz GONUCAZLHUIUPQ-LLVKDONJSA-N 0 0 306.793 3.170 20 10 DGCDRN COc1cc2c(cc1C[NH2+]Cc1cccc(Cl)c1[O-])OCO2 ZINC000898219571 619222823 /nfs/dbraw/zinc/22/28/23/619222823.db2.gz ZTUBOWOKGLRKBA-UHFFFAOYSA-N 0 0 321.760 3.073 20 10 DGCDRN COc1cccc(C[C@H](C)[NH2+]Cc2cccc(Cl)c2[O-])n1 ZINC000898219562 619222944 /nfs/dbraw/zinc/22/29/44/619222944.db2.gz ZOLKXMQHJXDUIL-NSHDSACASA-N 0 0 306.793 3.170 20 10 DGCDRN O=C(C[C@@H]1CCC2(CCC2)O1)NCc1cc(Cl)ccc1O ZINC000898276678 619231463 /nfs/dbraw/zinc/23/14/63/619231463.db2.gz DJCNKGDMFHDRBO-ZDUSSCGKSA-N 0 0 309.793 3.154 20 10 DGCDRN CCO[C@@H](C[NH2+][C@H](CC)c1cccc(Cl)c1[O-])CN(C)C ZINC000926962608 619253263 /nfs/dbraw/zinc/25/32/63/619253263.db2.gz RASLHIDZSKWTER-SWLSCSKDSA-N 0 0 314.857 3.053 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCOC1CCSCC1 ZINC000898440820 619275850 /nfs/dbraw/zinc/27/58/50/619275850.db2.gz VOKOTNLNFRYCLV-UHFFFAOYSA-N 0 0 319.829 3.187 20 10 DGCDRN C[C@H]1CCCC[C@@H]1Cn1cc(COc2ccc(N)cc2)nn1 ZINC000881324885 625332422 /nfs/dbraw/zinc/33/24/22/625332422.db2.gz KZWVOUITNGMTTC-UONOGXRCSA-N 0 0 300.406 3.266 20 10 DGCDRN C[C@@H](NC(=O)C[C@H]1CCC2(CCC2)CO1)c1ccccc1O ZINC000899182120 619316206 /nfs/dbraw/zinc/31/62/06/619316206.db2.gz SARLQUCQQLYGMG-ZIAGYGMSSA-N 0 0 303.402 3.309 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C\c1cccc2c1OCC2 ZINC000899341988 619327220 /nfs/dbraw/zinc/32/72/20/619327220.db2.gz OENJKIFJXYCOBO-KAMYIIQDSA-N 0 0 314.410 3.078 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2c(C)[nH]nc2Cl)cc1 ZINC000900260619 619416250 /nfs/dbraw/zinc/41/62/50/619416250.db2.gz ILPLPDONJCEGJG-UHFFFAOYSA-N 0 0 320.824 3.148 20 10 DGCDRN Cc1cccc(CCCn2cc(COc3ccc(N)cc3)nn2)c1 ZINC000881346206 625343996 /nfs/dbraw/zinc/34/39/96/625343996.db2.gz PKIPWDWHTYABMK-UHFFFAOYSA-N 0 0 322.412 3.381 20 10 DGCDRN CC(C)Nc1ccccc1NCc1nc(COC(C)C)no1 ZINC000901432074 619500863 /nfs/dbraw/zinc/50/08/63/619500863.db2.gz FCXYTTYONMLYQA-UHFFFAOYSA-N 0 0 304.394 3.427 20 10 DGCDRN CCC(=O)c1cn(Cc2ccc(N3CCCCC3)c(C)c2)nn1 ZINC000881378619 625357122 /nfs/dbraw/zinc/35/71/22/625357122.db2.gz FTYLSDMXYXIRME-UHFFFAOYSA-N 0 0 312.417 3.218 20 10 DGCDRN CC(C)c1ncc(NCc2ccc(N3CCOCC3)cc2)cn1 ZINC000902247416 619610246 /nfs/dbraw/zinc/61/02/46/619610246.db2.gz QCXLJHOHJWKYQM-UHFFFAOYSA-N 0 0 312.417 3.049 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@H](c2ccccn2)C2CC2)cc1 ZINC000902937999 619695201 /nfs/dbraw/zinc/69/52/01/619695201.db2.gz PYOFHRFJBRSNRS-SFHVURJKSA-N 0 0 324.428 3.098 20 10 DGCDRN CC[C@H](NCc1ncc(Br)cn1)c1ccccc1O ZINC000903320637 619755463 /nfs/dbraw/zinc/75/54/63/619755463.db2.gz MVICBHUYEQTVCO-LBPRGKRZSA-N 0 0 322.206 3.186 20 10 DGCDRN C[C@@H]([NH2+]Cc1cn(C)cn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000903350693 619763119 /nfs/dbraw/zinc/76/31/19/619763119.db2.gz DSFQPPJRGSZDGS-MRVPVSSYSA-N 0 0 300.189 3.283 20 10 DGCDRN C[C@H]([NH2+][C@@H]1COC[C@@H]1C1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000903438373 619775151 /nfs/dbraw/zinc/77/51/51/619775151.db2.gz UMNSQAUVHVLQKP-MRCXROJRSA-N 0 0 315.335 3.487 20 10 DGCDRN COc1ccc2c(c1)CC[C@@H](C(=O)N1Cc3cccc(O)c3C1)C2 ZINC000881429426 625370081 /nfs/dbraw/zinc/37/00/81/625370081.db2.gz ZGCBLGWSLMJEDD-OAHLLOKOSA-N 0 0 323.392 3.048 20 10 DGCDRN Cc1cc(O)c(CN2CCOc3ccc(N)cc3C2)c(Cl)c1 ZINC000903944318 619842287 /nfs/dbraw/zinc/84/22/87/619842287.db2.gz IDFLPVBBXRUINI-UHFFFAOYSA-N 0 0 318.804 3.331 20 10 DGCDRN C[C@@]1(c2nc(Cc3ccc(N)cc3)no2)CCOc2ccccc21 ZINC000904503769 619926022 /nfs/dbraw/zinc/92/60/22/619926022.db2.gz JWWGSNFLAMWKIC-LJQANCHMSA-N 0 0 321.380 3.331 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C/c1ccc2oncc2c1 ZINC000905070328 619970537 /nfs/dbraw/zinc/97/05/37/619970537.db2.gz LHDBXUKGIMAKPA-NTEUORMPSA-N 0 0 313.382 3.284 20 10 DGCDRN O=C1N=C(N2CCCCC2)SC1=Cc1ccc2[nH]cnc2c1 ZINC000905071646 619970560 /nfs/dbraw/zinc/97/05/60/619970560.db2.gz UOJVVABTMWSWSV-ZROIWOOFSA-N 0 0 312.398 3.019 20 10 DGCDRN Cc1cc(-c2nc(C3(N)CC3)no2)c(C)n1-c1ccccc1C ZINC000905316909 619986631 /nfs/dbraw/zinc/98/66/31/619986631.db2.gz XQISSNRCPVKUHQ-UHFFFAOYSA-N 0 0 308.385 3.400 20 10 DGCDRN COc1ccccc1NC[C@@H](O)CCOCc1ccccc1 ZINC000905301859 619988573 /nfs/dbraw/zinc/98/85/73/619988573.db2.gz WTWUZGXFKHNFDS-INIZCTEOSA-N 0 0 301.386 3.075 20 10 DGCDRN CC(C)COc1ccccc1NC[C@H](O)CC1(O)CCCC1 ZINC000905309932 619989564 /nfs/dbraw/zinc/98/95/64/619989564.db2.gz ZKUHOMMVTGUANY-OAHLLOKOSA-N 0 0 307.434 3.189 20 10 DGCDRN C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[C@@H]1CCCO1 ZINC000905960524 620047624 /nfs/dbraw/zinc/04/76/24/620047624.db2.gz YWDQCKIZQFPJNO-KDOFPFPSSA-N 0 0 316.445 3.059 20 10 DGCDRN Cc1cc(C)c(C(=O)NCCCSc2nccs2)c(C)n1 ZINC000906668980 620112362 /nfs/dbraw/zinc/11/23/62/620112362.db2.gz CBAFENAZFSQPAF-UHFFFAOYSA-N 0 0 321.471 3.376 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC=CCCC1 ZINC000907274074 620146588 /nfs/dbraw/zinc/14/65/88/620146588.db2.gz OJTGVWDHGHFUKW-HIFRSBDPSA-N 0 0 303.402 3.282 20 10 DGCDRN C[C@@H](NC(=O)C(C)(C)c1nccs1)c1ccc(N(C)C)cc1 ZINC000907491107 620158917 /nfs/dbraw/zinc/15/89/17/620158917.db2.gz ACIHXBJAYKRHJL-GFCCVEGCSA-N 0 0 317.458 3.364 20 10 DGCDRN COC(=O)c1ccoc1CN1CCCc2cc(OC)ccc21 ZINC000027960004 620264188 /nfs/dbraw/zinc/26/41/88/620264188.db2.gz HBAWUGKTQYTWDP-UHFFFAOYSA-N 0 0 301.342 3.028 20 10 DGCDRN Cc1nc(C(C)(C)C)sc1C(=O)NCc1ccc(O)cc1O ZINC000910955806 620318838 /nfs/dbraw/zinc/31/88/38/620318838.db2.gz UTWLKJQURSMDQC-UHFFFAOYSA-N 0 0 320.414 3.090 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000912101235 620364895 /nfs/dbraw/zinc/36/48/95/620364895.db2.gz OSAMBYJWABVDRB-GOEBONIOSA-N 0 0 317.410 3.182 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)Nc2cccc(C#N)c2)cc1 ZINC000150734213 620388622 /nfs/dbraw/zinc/38/86/22/620388622.db2.gz NKWYYLXSFMTGHH-UHFFFAOYSA-N 0 0 309.369 3.032 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cc(C)n(C)n1 ZINC000151135927 620424569 /nfs/dbraw/zinc/42/45/69/620424569.db2.gz UXBGOGUPJHJZDF-UHFFFAOYSA-N 0 0 314.414 3.450 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCC(F)(C3CC3)CC2)cc1 ZINC000913926980 620493578 /nfs/dbraw/zinc/49/35/78/620493578.db2.gz RJMUBWFMTFUQJW-UHFFFAOYSA-N 0 0 319.424 3.176 20 10 DGCDRN C[C@@H](CC(=O)NCCc1ccc(N)cc1)c1cccc(F)c1 ZINC000152518711 620510963 /nfs/dbraw/zinc/51/09/63/620510963.db2.gz HOSZNTFPFASDGK-ZDUSSCGKSA-N 0 0 300.377 3.260 20 10 DGCDRN Cc1ccccc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000152984960 620530383 /nfs/dbraw/zinc/53/03/83/620530383.db2.gz JJURKKGVRSBDKA-LBPRGKRZSA-N 0 0 300.358 3.159 20 10 DGCDRN COc1ccccc1NC[C@@H](O)COc1ccc(C)cc1C ZINC000032186303 620553148 /nfs/dbraw/zinc/55/31/48/620553148.db2.gz QLJBKZSNBJGDMM-OAHLLOKOSA-N 0 0 301.386 3.164 20 10 DGCDRN COc1ccccc1NC[C@H](O)COc1cc(C)cc(C)c1 ZINC000032186316 620553573 /nfs/dbraw/zinc/55/35/73/620553573.db2.gz RPARUBIRABZBTB-HNNXBMFYSA-N 0 0 301.386 3.164 20 10 DGCDRN CC(C)COc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1 ZINC000914845721 620557081 /nfs/dbraw/zinc/55/70/81/620557081.db2.gz LIPCEDDFUFQFRF-UHFFFAOYSA-N 0 0 321.398 3.228 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC2(C(F)(F)F)CCC2)cc1 ZINC000788030688 620557598 /nfs/dbraw/zinc/55/75/98/620557598.db2.gz VAGXLYVRDSVWTK-UHFFFAOYSA-N 0 0 315.339 3.037 20 10 DGCDRN CC(C)COCCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000915284327 620578511 /nfs/dbraw/zinc/57/85/11/620578511.db2.gz FVZVKYHFDLNHMZ-UHFFFAOYSA-N 0 0 318.461 3.306 20 10 DGCDRN Cc1cc(NC(=O)N(C)Cc2ccccc2O)cnc1Cl ZINC000755014558 620604887 /nfs/dbraw/zinc/60/48/87/620604887.db2.gz VWRIGTDGMDESMD-UHFFFAOYSA-N 0 0 305.765 3.413 20 10 DGCDRN CN1CCCc2cc(CNC(=O)NCCC(C)(C)F)ccc21 ZINC000852552841 620628741 /nfs/dbraw/zinc/62/87/41/620628741.db2.gz GELWDCMLXFFEDK-UHFFFAOYSA-N 0 0 307.413 3.006 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NCCCOC(C)(C)C)cc1 ZINC000852553763 620629096 /nfs/dbraw/zinc/62/90/96/620629096.db2.gz WYMWVHCTRDOCEN-UHFFFAOYSA-N 0 0 321.465 3.099 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000852565561 620630271 /nfs/dbraw/zinc/63/02/71/620630271.db2.gz OVEJTHBWFIAPQL-COPLHBTASA-N 0 0 308.809 3.281 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CC[C@@H](C)O[C@@H](C)C2)c1O ZINC000852589114 620632368 /nfs/dbraw/zinc/63/23/68/620632368.db2.gz OGPFYWOZGFVXNA-MNOVXSKESA-N 0 0 311.809 3.248 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)C2=Cc3ccccc3OC2)cc1 ZINC000008401111 620634081 /nfs/dbraw/zinc/63/40/81/620634081.db2.gz NZXMKURRPVERDE-UHFFFAOYSA-N 0 0 322.408 3.187 20 10 DGCDRN CC/C=C(\C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000920881317 620826483 /nfs/dbraw/zinc/82/64/83/620826483.db2.gz SZBKSBMBIHSHBO-JVDKPVQESA-N 0 0 302.418 3.057 20 10 DGCDRN CCN(C[C@@H](O)Cc1ccccc1)c1ccc(OC)c(OC)c1 ZINC000921061788 620835902 /nfs/dbraw/zinc/83/59/02/620835902.db2.gz LVLOXLOMQZQQRQ-KRWDZBQOSA-N 0 0 315.413 3.134 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H]1CC(C)=NO1 ZINC000854792036 620839208 /nfs/dbraw/zinc/83/92/08/620839208.db2.gz PFHZAEVZTTXKFL-ZDUSSCGKSA-N 0 0 317.414 3.050 20 10 DGCDRN Cc1cccc(SCC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000921265167 620846117 /nfs/dbraw/zinc/84/61/17/620846117.db2.gz ROCWLZSGSUBMOY-UHFFFAOYSA-N 0 0 314.454 3.470 20 10 DGCDRN COc1cc(Cl)ccc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000921276658 620846911 /nfs/dbraw/zinc/84/69/11/620846911.db2.gz RJNLQLMVZIXRIA-UHFFFAOYSA-N 0 0 318.804 3.345 20 10 DGCDRN C[C@H]1CCCC[C@@H]1OCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000112803347 620855539 /nfs/dbraw/zinc/85/55/39/620855539.db2.gz RJAIEJIGUGKRSH-GUYCJALGSA-N 0 0 322.424 3.103 20 10 DGCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)OCCO)cc1 ZINC000921447440 620857679 /nfs/dbraw/zinc/85/76/79/620857679.db2.gz IOFWNTKKGUCVLW-UHFFFAOYSA-N 0 0 313.357 3.317 20 10 DGCDRN Cc1cc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c(C)n1-c1ccccc1 ZINC000855016360 620863086 /nfs/dbraw/zinc/86/30/86/620863086.db2.gz LBLLOUQKBVEMMD-QRVBRYPASA-N 0 0 324.424 3.073 20 10 DGCDRN CC(C)(CO)[C@@H](NC(=O)C1=CC(=O)CS1)c1cccs1 ZINC000855112072 620869727 /nfs/dbraw/zinc/86/97/27/620869727.db2.gz WUJABWTWYLIUJC-LBPRGKRZSA-N 0 0 311.428 3.005 20 10 DGCDRN COC[C@@H]1CCCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000768539911 620880625 /nfs/dbraw/zinc/88/06/25/620880625.db2.gz DVHIHPVNNVVPSJ-LLVKDONJSA-N 0 0 301.789 3.433 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)C3=CC[C@H](C)CC3)C2)cc1 ZINC000855226787 620881646 /nfs/dbraw/zinc/88/16/46/620881646.db2.gz UESRWFCGQDETGD-GOEBONIOSA-N 0 0 314.429 3.137 20 10 DGCDRN CC[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855224315 620881694 /nfs/dbraw/zinc/88/16/94/620881694.db2.gz FGXXPOGZQCDWGM-VKJFTORMSA-N 0 0 316.445 3.216 20 10 DGCDRN CCC(C)(CC)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855228185 620882272 /nfs/dbraw/zinc/88/22/72/620882272.db2.gz XAPAHOTXYFMWGJ-AWEZNQCLSA-N 0 0 304.434 3.216 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)/C=C\c3ccccc3)C2)cc1 ZINC000855234518 620882664 /nfs/dbraw/zinc/88/26/64/620882664.db2.gz CCZFNFWLWFAKAZ-UUKWBXHYSA-N 0 0 322.408 3.104 20 10 DGCDRN O=C(NC[C@@H](OC1CCCC1)C(F)(F)F)C1=CC(=O)CS1 ZINC000855389720 620898680 /nfs/dbraw/zinc/89/86/80/620898680.db2.gz BGFIKUWKAFMUGK-LLVKDONJSA-N 0 0 323.336 3.074 20 10 DGCDRN Cc1ccc(C(=O)N2CC[C@H](C3CCCCC3)C2)c(O)c1O ZINC000855636168 620920037 /nfs/dbraw/zinc/92/00/37/620920037.db2.gz IRODPXFCICWXHD-AWEZNQCLSA-N 0 0 303.402 3.449 20 10 DGCDRN Clc1n[nH]c(C2CC2)c1CNCc1ccc2c(c1)CCO2 ZINC000921651462 620927181 /nfs/dbraw/zinc/92/71/81/620927181.db2.gz SDSBLFGOFKVCRI-UHFFFAOYSA-N 0 0 303.793 3.165 20 10 DGCDRN Cc1cc(C(=O)OCCc2cccnc2)c(C)n1-c1ccccn1 ZINC000113666493 620935596 /nfs/dbraw/zinc/93/55/96/620935596.db2.gz GPIQSDBMTMLKML-UHFFFAOYSA-N 0 0 321.380 3.284 20 10 DGCDRN COC[C@H](NCc1ccc2c(c1)CCCO2)c1ccc(C)o1 ZINC000921809440 620953674 /nfs/dbraw/zinc/95/36/74/620953674.db2.gz MOKVUDPHAJUJAW-INIZCTEOSA-N 0 0 301.386 3.390 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3COC[C@H]3C2)cc1 ZINC000856152891 620965747 /nfs/dbraw/zinc/96/57/47/620965747.db2.gz HUKFYZMYHADLPG-ZWKOTPCHSA-N 0 0 324.424 3.203 20 10 DGCDRN CS[C@H](CNC(=O)NCc1c(O)cccc1F)C(C)(C)C ZINC000921919517 620968553 /nfs/dbraw/zinc/96/85/53/620968553.db2.gz VSYVBGXDJDXACL-CYBMUJFWSA-N 0 0 314.426 3.108 20 10 DGCDRN C[C@H](NC(=O)C1=CC(=O)CS1)c1ccc2c(c1)CCCO2 ZINC000856494184 621000245 /nfs/dbraw/zinc/00/02/45/621000245.db2.gz BGJYINMXAYOWPQ-JTQLQIEISA-N 0 0 303.383 3.270 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2cccc(Cl)c2)c1 ZINC000114512529 621008765 /nfs/dbraw/zinc/00/87/65/621008765.db2.gz KXIPTMZMJNMAIZ-UHFFFAOYSA-N 0 0 306.749 3.376 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@H](C)Cc2cccc(F)c2)c1 ZINC000114543535 621009303 /nfs/dbraw/zinc/00/93/03/621009303.db2.gz DFHVTNDCVANUSY-GFCCVEGCSA-N 0 0 317.360 3.035 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)c1 ZINC000114543169 621009401 /nfs/dbraw/zinc/00/94/01/621009401.db2.gz BNCLCGOSMFDWKZ-ZBFHGGJFSA-N 0 0 303.402 3.255 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1cncc(Cl)c1 ZINC000856732431 621012810 /nfs/dbraw/zinc/01/28/10/621012810.db2.gz QMQWIZIUNXWTGX-UHFFFAOYSA-N 0 0 303.793 3.200 20 10 DGCDRN OC[C@@H](NCc1ccc2c(c1)CCCO2)c1ccc(F)cc1F ZINC000922264364 621014890 /nfs/dbraw/zinc/01/48/90/621014890.db2.gz SIGXRRHOEXXZPT-QGZVFWFLSA-N 0 0 319.351 3.113 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2cc(C)ccc2OC)c1 ZINC000114565462 621015452 /nfs/dbraw/zinc/01/54/52/621015452.db2.gz JRPUPEKNAPKXCA-UHFFFAOYSA-N 0 0 316.357 3.040 20 10 DGCDRN O=C(NCc1c(O)cccc1F)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000922323991 621024554 /nfs/dbraw/zinc/02/45/54/621024554.db2.gz VDCCICHHKLVCAV-HDJSIYSDSA-N 0 0 314.360 3.277 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC(CC2CC2)C1 ZINC000856865983 621029903 /nfs/dbraw/zinc/02/99/03/621029903.db2.gz VGMDUEARNTYSRR-UHFFFAOYSA-N 0 0 301.434 3.003 20 10 DGCDRN CCOc1ccc(CN[C@@H]2c3ccccc3OC[C@H]2F)c(O)c1 ZINC000922524513 621050792 /nfs/dbraw/zinc/05/07/92/621050792.db2.gz DPKMYQFECDRNKW-CRAIPNDOSA-N 0 0 317.360 3.352 20 10 DGCDRN CCOc1cccc(CN[C@@H]2c3ccccc3OC[C@H]2F)c1O ZINC000922523994 621050845 /nfs/dbraw/zinc/05/08/45/621050845.db2.gz ANUJINWNGPLOGA-RHSMWYFYSA-N 0 0 317.360 3.352 20 10 DGCDRN CCOc1ccc(O)c(CN[C@@H]2c3ccccc3OC[C@H]2F)c1 ZINC000922527438 621051360 /nfs/dbraw/zinc/05/13/60/621051360.db2.gz ZNCVLKMAFGYGQI-CRAIPNDOSA-N 0 0 317.360 3.352 20 10 DGCDRN CN(C)c1ccc(/C=C/CN[C@H](c2ncccn2)C2CC2)cc1 ZINC000922577268 621059853 /nfs/dbraw/zinc/05/98/53/621059853.db2.gz PNVZGCDMGIQABJ-YZTRRJNXSA-N 0 0 308.429 3.297 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Cc1c[nH]c2ccccc12 ZINC000115280442 621094362 /nfs/dbraw/zinc/09/43/62/621094362.db2.gz GBUHQKWOICWTBM-UHFFFAOYSA-N 0 0 321.424 3.401 20 10 DGCDRN CCOc1ccc(CC(=O)NCc2cc(Cl)ccc2O)cc1 ZINC000857547348 621095015 /nfs/dbraw/zinc/09/50/15/621095015.db2.gz ZTRYBBWIOQUTCT-UHFFFAOYSA-N 0 0 319.788 3.303 20 10 DGCDRN COc1cccc([C@@H](C)C(=O)NCc2cc(Cl)ccc2O)c1 ZINC000857547706 621095050 /nfs/dbraw/zinc/09/50/50/621095050.db2.gz QLJNPWSLFZFIGC-LLVKDONJSA-N 0 0 319.788 3.474 20 10 DGCDRN Cc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)cnc1F ZINC000857709363 621114899 /nfs/dbraw/zinc/11/48/99/621114899.db2.gz XWBMZGUTXWFOGW-UHFFFAOYSA-N 0 0 313.376 3.059 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000922895693 621125369 /nfs/dbraw/zinc/12/53/69/621125369.db2.gz GEHDRYDLITXXTB-MEDUHNTESA-N 0 0 313.800 3.480 20 10 DGCDRN CC(C)[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)c1cnn(C)c1 ZINC000922896262 621127180 /nfs/dbraw/zinc/12/71/80/621127180.db2.gz XCHZQRVZAONDGW-HNNXBMFYSA-N 0 0 311.788 3.405 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC(C1CC1)C1CC1 ZINC000115792013 621143510 /nfs/dbraw/zinc/14/35/10/621143510.db2.gz RLBJNDKXFGMHCJ-UHFFFAOYSA-N 0 0 301.434 3.049 20 10 DGCDRN C[C@@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCOc2ccccc21 ZINC000923024846 621148062 /nfs/dbraw/zinc/14/80/62/621148062.db2.gz INWYZOHBGWGXCH-QGZVFWFLSA-N 0 0 314.341 3.088 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CC=CCC1 ZINC000115811485 621149009 /nfs/dbraw/zinc/14/90/09/621149009.db2.gz AQCZSOYGRBKDBH-OAHLLOKOSA-N 0 0 301.434 3.217 20 10 DGCDRN CCc1nc(CNCc2cc(F)c(N(C)C)cc2F)cs1 ZINC000858131157 621155897 /nfs/dbraw/zinc/15/58/97/621155897.db2.gz LYKVZVDJWLRJKQ-UHFFFAOYSA-N 0 0 311.401 3.340 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2CCCc3occc32)c1 ZINC000858132450 621156199 /nfs/dbraw/zinc/15/61/99/621156199.db2.gz DPBBFAJMQQFBMX-AWEZNQCLSA-N 0 0 300.358 3.170 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCC(C)(C)c2ccccc2)c1 ZINC000858133936 621156225 /nfs/dbraw/zinc/15/62/25/621156225.db2.gz CYNBUCZCCPDAEX-UHFFFAOYSA-N 0 0 312.413 3.478 20 10 DGCDRN COc1cccc([C@H](C)NC(=O)NCc2cc(C)ccc2O)c1 ZINC000858149616 621158769 /nfs/dbraw/zinc/15/87/69/621158769.db2.gz PYIWNQXURHCHFF-ZDUSSCGKSA-N 0 0 314.385 3.270 20 10 DGCDRN CC(C)CC(=O)NCc1cc(NC(=O)CC(C)C)ccc1O ZINC000923126942 621160226 /nfs/dbraw/zinc/16/02/26/621160226.db2.gz UEVPFQUZJQCODL-UHFFFAOYSA-N 0 0 306.406 3.039 20 10 DGCDRN CC(C)(C)C(=O)NCc1cc(NC(=O)C(C)(C)C)ccc1O ZINC000923131048 621160536 /nfs/dbraw/zinc/16/05/36/621160536.db2.gz AJEBKGVGASBZJP-UHFFFAOYSA-N 0 0 306.406 3.039 20 10 DGCDRN C[C@H]1C[C@@H](NCc2c(O)cccc2Br)c2nccn21 ZINC000858172487 621161085 /nfs/dbraw/zinc/16/10/85/621161085.db2.gz WGBROZUXFMPELF-JOYOIKCWSA-N 0 0 322.206 3.147 20 10 DGCDRN C[C@@H]1C[C@H](NCc2cc(F)c(N(C)C)cc2F)c2nccn21 ZINC000858171767 621161171 /nfs/dbraw/zinc/16/11/71/621161171.db2.gz CQDCJOPLTZEZDX-YGRLFVJLSA-N 0 0 306.360 3.023 20 10 DGCDRN CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1c(O)cccc1Br ZINC000858182573 621162146 /nfs/dbraw/zinc/16/21/46/621162146.db2.gz ZCQLCTUCPLVORS-MNOVXSKESA-N 0 0 316.239 3.041 20 10 DGCDRN CCCC[C@@](C)(CO)[NH2+]Cc1c(O)cccc1Br ZINC000858182558 621162216 /nfs/dbraw/zinc/16/22/16/621162216.db2.gz YNTFWGLWTFIBGV-AWEZNQCLSA-N 0 0 316.239 3.186 20 10 DGCDRN C[C@@H](O)[C@H](NCc1cc(F)c(N(C)C)cc1F)c1ccccc1 ZINC000858196413 621163694 /nfs/dbraw/zinc/16/36/94/621163694.db2.gz ONZMSEZBEAPGAT-XIKOKIGWSA-N 0 0 320.383 3.243 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2CCc3ccc(F)cc32)c1 ZINC000858201135 621164110 /nfs/dbraw/zinc/16/41/10/621164110.db2.gz SYFAJIBZEFXISM-INIZCTEOSA-N 0 0 314.360 3.326 20 10 DGCDRN CCO[C@H](C(=O)N(C)Cc1ccc(N(CC)CC)cc1)C1CC1 ZINC000858201592 621164163 /nfs/dbraw/zinc/16/41/63/621164163.db2.gz QLKSYEUKCPDVCF-SFHVURJKSA-N 0 0 318.461 3.306 20 10 DGCDRN CCn1nc(C)c(CNCc2cc(C)n(-c3ccccc3)c2C)n1 ZINC000858294784 621172451 /nfs/dbraw/zinc/17/24/51/621172451.db2.gz OAOUIVKBSOJZOA-UHFFFAOYSA-N 0 0 323.444 3.304 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000858331993 621176692 /nfs/dbraw/zinc/17/66/92/621176692.db2.gz DNCRUNARVWNDON-ZBFHGGJFSA-N 0 0 320.433 3.094 20 10 DGCDRN Cc1ccsc1CCNC(=O)NCc1cc(C)ccc1O ZINC000858344952 621178795 /nfs/dbraw/zinc/17/87/95/621178795.db2.gz ZJWOCAVEMKFFOO-UHFFFAOYSA-N 0 0 304.415 3.112 20 10 DGCDRN CCC[C@@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)OCC ZINC000858368914 621181684 /nfs/dbraw/zinc/18/16/84/621181684.db2.gz PJAHNARWBGURRE-YOEHRIQHSA-N 0 0 321.465 3.318 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC[C@H]2CCCC(F)(F)C2)c1 ZINC000858425736 621188976 /nfs/dbraw/zinc/18/89/76/621188976.db2.gz JSSNITICMSGWKH-LBPRGKRZSA-N 0 0 312.360 3.325 20 10 DGCDRN CC[C@@H](CNC(=O)NCc1cc(C)ccc1O)CC(F)(F)F ZINC000858540270 621203134 /nfs/dbraw/zinc/20/31/34/621203134.db2.gz ZVXBDALUCVASPC-LLVKDONJSA-N 0 0 318.339 3.478 20 10 DGCDRN Cc1cc(CNC(=O)N[C@H]2CC23CC3)c(C)n1-c1ccccc1 ZINC000858554565 621204493 /nfs/dbraw/zinc/20/44/93/621204493.db2.gz PQCBRATVLALQRX-KRWDZBQOSA-N 0 0 309.413 3.446 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cc1 ZINC000858605354 621209527 /nfs/dbraw/zinc/20/95/27/621209527.db2.gz RTSJRAJLGZDTFM-XSWJXKHESA-N 0 0 318.461 3.209 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H](C)C2CCC(F)CC2)c1 ZINC000858620381 621210274 /nfs/dbraw/zinc/21/02/74/621210274.db2.gz XYPVRIFKRHSCSP-OPFPJEHXSA-N 0 0 308.397 3.417 20 10 DGCDRN CCC[C@@H](OCC)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000858835780 621224070 /nfs/dbraw/zinc/22/40/70/621224070.db2.gz KQLLMEOMJJFMFL-GOSISDBHSA-N 0 0 318.461 3.498 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)c2ccn(C)n2)cc1 ZINC000838246887 621227063 /nfs/dbraw/zinc/22/70/63/621227063.db2.gz GJJUBQMQKIHAKU-HNNXBMFYSA-N 0 0 322.412 3.319 20 10 DGCDRN CC(C)CCOC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000858887398 621228599 /nfs/dbraw/zinc/22/85/99/621228599.db2.gz VOFOTDJDIORYLH-UHFFFAOYSA-N 0 0 320.433 3.138 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CCCC23CC3)c1 ZINC000859017075 621240003 /nfs/dbraw/zinc/24/00/03/621240003.db2.gz YSPBCUOXTSEDSP-OLZOCXBDSA-N 0 0 318.417 3.341 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N(C)CC(F)F ZINC000859192191 621258676 /nfs/dbraw/zinc/25/86/76/621258676.db2.gz KVWQGCYOHMSECD-UHFFFAOYSA-N 0 0 320.339 3.244 20 10 DGCDRN COc1ccc2c(c1)CCCCN2CCOC1CCOCC1 ZINC000859219666 621261972 /nfs/dbraw/zinc/26/19/72/621261972.db2.gz FFFSJMKHJOARMT-UHFFFAOYSA-N 0 0 305.418 3.034 20 10 DGCDRN COc1cccc(CNC(=O)NC2CC(C(C)(C)C)C2)c1O ZINC000838619525 621265649 /nfs/dbraw/zinc/26/56/49/621265649.db2.gz MHOIYJIFTOZRPI-UHFFFAOYSA-N 0 0 306.406 3.025 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC[C@@H](C)F ZINC000838619925 621265796 /nfs/dbraw/zinc/26/57/96/621265796.db2.gz OWPPBWJWECXDOG-CQSZACIVSA-N 0 0 309.429 3.421 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)[C@@H](OC)C1CC1 ZINC000838702057 621272221 /nfs/dbraw/zinc/27/22/21/621272221.db2.gz RHMVSESWNKBYNZ-SUMWQHHRSA-N 0 0 320.433 3.127 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@H](C)C(F)(F)F ZINC000859421260 621276568 /nfs/dbraw/zinc/27/65/68/621276568.db2.gz SVWKHQABDDGJPA-NSHDSACASA-N 0 0 302.340 3.266 20 10 DGCDRN COc1cc(O)c(CN2CC(C)(CC(F)(F)F)C2)cc1OC ZINC000839146234 621333001 /nfs/dbraw/zinc/33/30/01/621333001.db2.gz ZUABEJSLPDAUJS-UHFFFAOYSA-N 0 0 319.323 3.184 20 10 DGCDRN Oc1cc2c(cc1CN1Cc3ccc(Cl)cc3C1)OCO2 ZINC000839192015 621347087 /nfs/dbraw/zinc/34/70/87/621347087.db2.gz SEQUGVHBMOYXPS-UHFFFAOYSA-N 0 0 303.745 3.290 20 10 DGCDRN Cn1cc(/C=C/C(=O)N2CCCc3ccc(Cl)c(F)c32)cn1 ZINC000839436914 621374062 /nfs/dbraw/zinc/37/40/62/621374062.db2.gz BAHSEXLVELAJAU-QPJJXVBHSA-N 0 0 319.767 3.205 20 10 DGCDRN COc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000839468992 621378401 /nfs/dbraw/zinc/37/84/01/621378401.db2.gz IGOJVUFAHGKQRH-ZWKOTPCHSA-N 0 0 324.424 3.181 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCc3ccccc3O2)cc1 ZINC000839467786 621378771 /nfs/dbraw/zinc/37/87/71/621378771.db2.gz JBJBGNWRLPFPJZ-IBGZPJMESA-N 0 0 324.424 3.105 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cc2cccnc2[nH]1 ZINC000839524123 621381309 /nfs/dbraw/zinc/38/13/09/621381309.db2.gz AJGKASNPEKRPHR-UHFFFAOYSA-N 0 0 320.396 3.093 20 10 DGCDRN COCC(C)(C)CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000839510200 621382937 /nfs/dbraw/zinc/38/29/37/621382937.db2.gz YAYBTTVNCVVFKE-UHFFFAOYSA-N 0 0 318.461 3.306 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2nnc(CC(C)C)s2)c1 ZINC000860268585 621388634 /nfs/dbraw/zinc/38/86/34/621388634.db2.gz FKRDPSFPVAHCGF-UHFFFAOYSA-N 0 0 320.418 3.072 20 10 DGCDRN Cc1ccc([C@@H](C)NC(=O)C2=CC(=O)CS2)cc1[N+](=O)[O-] ZINC000752816287 621411514 /nfs/dbraw/zinc/41/15/14/621411514.db2.gz RZBDNMPLRMTJJP-SECBINFHSA-N 0 0 306.343 3.161 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1cncn1C ZINC000752953725 621417582 /nfs/dbraw/zinc/41/75/82/621417582.db2.gz OUKLYZKKNHHAKZ-UHFFFAOYSA-N 0 0 322.412 3.066 20 10 DGCDRN C[C@@H](NC(=O)N1CCSC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000753203867 621430858 /nfs/dbraw/zinc/43/08/58/621430858.db2.gz KWRSAGBFDZHDQS-UONOGXRCSA-N 0 0 321.490 3.208 20 10 DGCDRN CCn1c2ccc(F)cc2nc1NC(=O)C1=CC(=O)CS1 ZINC000753477255 621442116 /nfs/dbraw/zinc/44/21/16/621442116.db2.gz ZDFGLWWNGHTJJW-UHFFFAOYSA-N 0 0 305.334 3.215 20 10 DGCDRN CC(C)c1nocc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000860950934 621461590 /nfs/dbraw/zinc/46/15/90/621461590.db2.gz VVCKAVMSJAFIGC-LBPRGKRZSA-N 0 0 301.390 3.355 20 10 DGCDRN O=C1OCC[C@H]1CC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000753848607 621468266 /nfs/dbraw/zinc/46/82/66/621468266.db2.gz RTTLMWWHWYXQPP-CQSZACIVSA-N 0 0 303.402 3.090 20 10 DGCDRN O=[N+]([O-])c1ccccc1-c1nnc(CSc2nccs2)o1 ZINC000753853863 621468777 /nfs/dbraw/zinc/46/87/77/621468777.db2.gz VATOLMFWHJLRAP-UHFFFAOYSA-N 0 0 320.355 3.394 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3CCOC[C@H](C)C3)c2c1 ZINC000753987858 621476531 /nfs/dbraw/zinc/47/65/31/621476531.db2.gz YESQSVUPSQRDMW-CYBMUJFWSA-N 0 0 301.386 3.022 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@]1(C)CCOC1 ZINC000754359291 621505380 /nfs/dbraw/zinc/50/53/80/621505380.db2.gz RTFJUAJUFFHPMN-IBGZPJMESA-N 0 0 316.445 3.062 20 10 DGCDRN Cc1cc(=O)[nH]c(CSc2ncc(-c3ccccc3)n2C)n1 ZINC000754450910 621511087 /nfs/dbraw/zinc/51/10/87/621511087.db2.gz NQGMPQDHVLCKPL-UHFFFAOYSA-N 0 0 312.398 3.183 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2[C@H](C)C[C@@H]2C)cc1 ZINC000861438811 621514735 /nfs/dbraw/zinc/51/47/35/621514735.db2.gz OWOOKFMETCNJMC-OKILXGFUSA-N 0 0 324.424 3.458 20 10 DGCDRN Cn1cc(/C=C/C(=O)N2CCCCc3c(Cl)cccc32)cn1 ZINC000754584062 621518915 /nfs/dbraw/zinc/51/89/15/621518915.db2.gz OUMUFKLDEVHXHU-CMDGGOBGSA-N 0 0 315.804 3.456 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H](OCC)C1CC1 ZINC000861561499 621521716 /nfs/dbraw/zinc/52/17/16/621521716.db2.gz HRWCLJFZJIZZFZ-KRWDZBQOSA-N 0 0 305.418 3.336 20 10 DGCDRN CCc1cccc(NC(=S)NCc2cccc(N(C)C)n2)c1 ZINC000754692603 621524795 /nfs/dbraw/zinc/52/47/95/621524795.db2.gz PWSDERAYNBPBCP-UHFFFAOYSA-N 0 0 314.458 3.197 20 10 DGCDRN Cc1ccc(F)c(NC(=S)NCc2cccc(N(C)C)n2)c1 ZINC000754692550 621524997 /nfs/dbraw/zinc/52/49/97/621524997.db2.gz PBVOIEAWKMEJHC-UHFFFAOYSA-N 0 0 318.421 3.082 20 10 DGCDRN Cc1ccc(C(=O)N(C)Cc2ccc(F)cc2C)c(O)c1O ZINC000754697733 621525367 /nfs/dbraw/zinc/52/53/67/621525367.db2.gz CJSWVTRGRKUSSL-UHFFFAOYSA-N 0 0 303.333 3.126 20 10 DGCDRN COc1cc(CN(C)Cc2ccon2)c(O)c(C(C)(C)C)c1 ZINC000754742644 621529857 /nfs/dbraw/zinc/52/98/57/621529857.db2.gz VVKVXGXLDXICLG-UHFFFAOYSA-N 0 0 304.390 3.318 20 10 DGCDRN Oc1ccc2ccncc2c1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000754783662 621532203 /nfs/dbraw/zinc/53/22/03/621532203.db2.gz NUFHBTFNXFTLRU-INIZCTEOSA-N 0 0 312.413 3.189 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@@H](F)C2)c1 ZINC000861862366 621541435 /nfs/dbraw/zinc/54/14/35/621541435.db2.gz PDKUCQRMEKGASZ-MRXNPFEDSA-N 0 0 314.360 3.091 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC2(C)CCC2)cc1F ZINC000755059990 621549149 /nfs/dbraw/zinc/54/91/49/621549149.db2.gz OYDLHAANDFWHMH-UHFFFAOYSA-N 0 0 307.413 3.414 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000862025249 621551139 /nfs/dbraw/zinc/55/11/39/621551139.db2.gz QDEMVLKJERYZSJ-DVOMOZLQSA-N 0 0 308.381 3.159 20 10 DGCDRN CCS[C@H](C(=O)NCc1ccc2cccnc2c1O)C(C)C ZINC000862027883 621551322 /nfs/dbraw/zinc/55/13/22/621551322.db2.gz IJXLPZARQAUWOT-INIZCTEOSA-N 0 0 318.442 3.334 20 10 DGCDRN C[C@@H](NC(=O)N1CCS[C@@H](C)CC1)c1ccc(N(C)C)cc1 ZINC000755275117 621562611 /nfs/dbraw/zinc/56/26/11/621562611.db2.gz PCOSWHNGXLYYCO-UONOGXRCSA-N 0 0 321.490 3.351 20 10 DGCDRN Cc1noc(C)c1CN(C)Cc1cc(F)c(N(C)C)cc1F ZINC000862227258 621563991 /nfs/dbraw/zinc/56/39/91/621563991.db2.gz YFJBZQYMDHUJDJ-UHFFFAOYSA-N 0 0 309.360 3.268 20 10 DGCDRN CCN(CCO)C(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000755473637 621574903 /nfs/dbraw/zinc/57/49/03/621574903.db2.gz XGWLSFAPHITXEP-UHFFFAOYSA-N 0 0 314.429 3.165 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)C1CCOCC1 ZINC000755698577 621586297 /nfs/dbraw/zinc/58/62/97/621586297.db2.gz GWURUTVHEDNFEL-HNNXBMFYSA-N 0 0 318.461 3.164 20 10 DGCDRN CN(C)c1cc(F)c(CN2CC(Cc3ccco3)C2)cc1F ZINC000862485576 621594906 /nfs/dbraw/zinc/59/49/06/621594906.db2.gz AEVJXVAOAIRBMX-UHFFFAOYSA-N 0 0 306.356 3.298 20 10 DGCDRN CSCc1cc(F)ccc1CNC(=O)C1=CC(=O)CS1 ZINC000755859212 621598325 /nfs/dbraw/zinc/59/83/25/621598325.db2.gz CGUMPTHLLVKIHK-UHFFFAOYSA-N 0 0 311.403 3.386 20 10 DGCDRN C/C=C/C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000862551699 621600863 /nfs/dbraw/zinc/60/08/63/621600863.db2.gz XSTYHYYSCNQXEP-OOPCZODUSA-N 0 0 320.389 3.487 20 10 DGCDRN CC[C@@H]1CC(=O)N(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000755913329 621602318 /nfs/dbraw/zinc/60/23/18/621602318.db2.gz NRTNJVSBGGBLLM-MRXNPFEDSA-N 0 0 317.477 3.179 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CCCOCc2ccccc2)c1 ZINC000862759201 621614228 /nfs/dbraw/zinc/61/42/28/621614228.db2.gz YILBSENTCCCKGB-UHFFFAOYSA-N 0 0 313.397 3.314 20 10 DGCDRN Cc1c(C(=O)NCc2cc(C)ccc2O)cnn1CCC(C)C ZINC000862758436 621614273 /nfs/dbraw/zinc/61/42/73/621614273.db2.gz ZAXVGLRYGWCNDY-UHFFFAOYSA-N 0 0 315.417 3.182 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)C(C)(C)Oc2ccc(F)cc2)c1 ZINC000862759618 621614276 /nfs/dbraw/zinc/61/42/76/621614276.db2.gz IQWWNCASLJYHLF-UHFFFAOYSA-N 0 0 317.360 3.314 20 10 DGCDRN CCSc1cc(C(=O)NCc2cc(C)ccc2O)ccn1 ZINC000862758465 621614397 /nfs/dbraw/zinc/61/43/97/621614397.db2.gz ALHOEBRYZXPGQC-UHFFFAOYSA-N 0 0 302.399 3.138 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H](C)Cc2ccccc2F)c1 ZINC000862759624 621614408 /nfs/dbraw/zinc/61/44/08/621614408.db2.gz HIZDEXOYTYTGQZ-ZDUSSCGKSA-N 0 0 301.361 3.335 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)c1 ZINC000862760480 621614655 /nfs/dbraw/zinc/61/46/55/621614655.db2.gz RSTBTYUVQUSGDF-STQMWFEESA-N 0 0 317.335 3.399 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2C[C@]23CCc2ccccc23)c1 ZINC000862760528 621614746 /nfs/dbraw/zinc/61/47/46/621614746.db2.gz UBVAPPAZRIZMTG-XLIONFOSSA-N 0 0 307.393 3.221 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCc2ccccc2)c1 ZINC000756344419 621629691 /nfs/dbraw/zinc/62/96/91/621629691.db2.gz QSRVBMALHUEWRI-AWEZNQCLSA-N 0 0 313.397 3.462 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@@H](CC(=O)[O-])C(C)C)cc1F ZINC000756363167 621631483 /nfs/dbraw/zinc/63/14/83/621631483.db2.gz UWTXTILYGBSCND-HNNXBMFYSA-N 0 0 310.413 3.261 20 10 DGCDRN Cc1cc(C)cc([C@H]([NH2+]Cc2ccc3c(c2)CCO3)C(=O)[O-])c1 ZINC000756389886 621634357 /nfs/dbraw/zinc/63/43/57/621634357.db2.gz SMSNQXLSUNCRGE-SFHVURJKSA-N 0 0 311.381 3.154 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](C)N1CCC[C@@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000756410836 621636479 /nfs/dbraw/zinc/63/64/79/621636479.db2.gz KJTKFRYOCQZGDT-FRRDWIJNSA-N 0 0 312.404 3.441 20 10 DGCDRN CC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756412090 621636842 /nfs/dbraw/zinc/63/68/42/621636842.db2.gz SBPJHMLLGHPVLG-JTQLQIEISA-N 0 0 320.339 3.480 20 10 DGCDRN COCCCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756424168 621637650 /nfs/dbraw/zinc/63/76/50/621637650.db2.gz ULGAPCYBVSGAGX-VIFPVBQESA-N 0 0 320.202 3.371 20 10 DGCDRN C/C=C/CNC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC000863111670 621639513 /nfs/dbraw/zinc/63/95/13/621639513.db2.gz FJUBAUAVSYPFLI-SNAWJCMRSA-N 0 0 310.397 3.141 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756456373 621639722 /nfs/dbraw/zinc/63/97/22/621639722.db2.gz MNGJHDDPLRVULE-SECBINFHSA-N 0 0 308.284 3.429 20 10 DGCDRN COC[C@@H](C)C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756464867 621640144 /nfs/dbraw/zinc/64/01/44/621640144.db2.gz IATSZCWWORVZES-DTWKUNHWSA-N 0 0 320.202 3.227 20 10 DGCDRN Cc1ccccc1OCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756483867 621641076 /nfs/dbraw/zinc/64/10/76/621641076.db2.gz YFGAKVOHABQRBN-CYBMUJFWSA-N 0 0 316.357 3.338 20 10 DGCDRN Cc1cc(CNC(=O)c2ccn(C)n2)c(C)n1-c1cccc(C)c1 ZINC000863161413 621643824 /nfs/dbraw/zinc/64/38/24/621643824.db2.gz MQQBKEMGLUOROQ-UHFFFAOYSA-N 0 0 322.412 3.066 20 10 DGCDRN Cc1cc(CNC(=O)CC2(O)CCC2)c(C)n1-c1ccccc1 ZINC000863163983 621644157 /nfs/dbraw/zinc/64/41/57/621644157.db2.gz VNKJGWZNCPXMBB-UHFFFAOYSA-N 0 0 312.413 3.015 20 10 DGCDRN Cc1cc(CNC(=O)[C@@H]2CCCCO2)c(C)n1-c1ccccc1 ZINC000863165693 621644636 /nfs/dbraw/zinc/64/46/36/621644636.db2.gz LCGYTAHERSTJBE-SFHVURJKSA-N 0 0 312.413 3.279 20 10 DGCDRN Cc1cc(CNC(=O)CCc2ncc[nH]2)c(C)n1-c1ccccc1 ZINC000863165093 621644649 /nfs/dbraw/zinc/64/46/49/621644649.db2.gz ZXQKEQBXBKKGMG-UHFFFAOYSA-N 0 0 322.412 3.066 20 10 DGCDRN Cc1cc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)n(C)n1 ZINC000863165329 621644688 /nfs/dbraw/zinc/64/46/88/621644688.db2.gz SZOVGHYUIWKGKL-UHFFFAOYSA-N 0 0 322.412 3.066 20 10 DGCDRN CCn1nc(C)c(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])c1C ZINC000756535634 621645754 /nfs/dbraw/zinc/64/57/54/621645754.db2.gz NTAOAKRXJIRIMH-VIFPVBQESA-N 0 0 309.360 3.354 20 10 DGCDRN Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756534209 621646106 /nfs/dbraw/zinc/64/61/06/621646106.db2.gz LFNQTEYWQHQTOV-MNOVXSKESA-N 0 0 309.360 3.162 20 10 DGCDRN CC[C@@H](CCO)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756602254 621652180 /nfs/dbraw/zinc/65/21/80/621652180.db2.gz DMEBNROQVBKATI-BDAKNGLRSA-N 0 0 320.202 3.105 20 10 DGCDRN CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C1CCOCC1 ZINC000756627883 621653710 /nfs/dbraw/zinc/65/37/10/621653710.db2.gz IUSNFQABUHQUKL-ABAIWWIYSA-N 0 0 308.378 3.156 20 10 DGCDRN CCc1ccc(NC(=O)CN(C)c2ccc3c(c2)OCO3)cc1 ZINC000756654854 621656705 /nfs/dbraw/zinc/65/67/05/621656705.db2.gz ZAHVUSUXFJELIA-UHFFFAOYSA-N 0 0 312.369 3.053 20 10 DGCDRN Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])CO2 ZINC000756760397 621662560 /nfs/dbraw/zinc/66/25/60/621662560.db2.gz ONSHIRXUYFIQDY-NHYWBVRUSA-N 0 0 314.341 3.393 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCOC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756770561 621663478 /nfs/dbraw/zinc/66/34/78/621663478.db2.gz WBYOGRWHQFVEQA-CBAPKCEASA-N 0 0 320.614 3.248 20 10 DGCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc(OC)cc2)c1 ZINC000756794809 621665208 /nfs/dbraw/zinc/66/52/08/621665208.db2.gz DFYGLJMCNJHVEH-LLVKDONJSA-N 0 0 301.342 3.361 20 10 DGCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2cnn(C(C)(C)C)c2)c1 ZINC000756857388 621669003 /nfs/dbraw/zinc/66/90/03/621669003.db2.gz WKSKBMZQCLLCPM-NSHDSACASA-N 0 0 317.389 3.303 20 10 DGCDRN Cc1ccc(O)c([C@H](C)[NH2+]Cc2nnc(-c3ccccc3)[n-]2)c1 ZINC000756867103 621669188 /nfs/dbraw/zinc/66/91/88/621669188.db2.gz FUTXGDBREDGEAU-ZDUSSCGKSA-N 0 0 308.385 3.337 20 10 DGCDRN CC[C@@H]1CC[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)O1 ZINC000756916351 621672847 /nfs/dbraw/zinc/67/28/47/621672847.db2.gz LWNYURVRYYSAPX-QZTJIDSGSA-N 0 0 318.461 3.447 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CC[C@@H](C)NC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000863544772 621682254 /nfs/dbraw/zinc/68/22/54/621682254.db2.gz AQHCDSIKWIQGHJ-OPRDCNLKSA-N 0 0 303.233 3.490 20 10 DGCDRN C[C@H](c1ccc(F)cc1)N(C)C(=O)CN(C)c1ccc(N)cc1 ZINC000863557062 621683463 /nfs/dbraw/zinc/68/34/63/621683463.db2.gz HJRJMQHRBPEALY-CYBMUJFWSA-N 0 0 315.392 3.064 20 10 DGCDRN Cc1sc2[nH]c(CN(C)c3ccc(N)cc3)nc(=O)c2c1C ZINC000863558785 621683473 /nfs/dbraw/zinc/68/34/73/621683473.db2.gz XNDMPHQUNHFBDY-UHFFFAOYSA-N 0 0 314.414 3.232 20 10 DGCDRN Cc1ccc(CN(CCCO)c2ccc3c(c2)OCCO3)s1 ZINC000103481468 621694711 /nfs/dbraw/zinc/69/47/11/621694711.db2.gz XTODRSDESWQVGZ-UHFFFAOYSA-N 0 0 319.426 3.217 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ncc(C)s2)c1 ZINC000103503271 621697420 /nfs/dbraw/zinc/69/74/20/621697420.db2.gz BTTYHTNNEVLLFQ-VIFPVBQESA-N 0 0 307.375 3.048 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCC[C@@H](C)C2)c1 ZINC000103512965 621698387 /nfs/dbraw/zinc/69/83/87/621698387.db2.gz MACLEXOCICBACQ-AGIUHOORSA-N 0 0 306.406 3.340 20 10 DGCDRN C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@H]1C(=O)[O-] ZINC000863740375 621705697 /nfs/dbraw/zinc/70/56/97/621705697.db2.gz UTBUCKBZCIGREO-MAUKXSAKSA-N 0 0 316.445 3.220 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H](C)CCCO ZINC000757440677 621711383 /nfs/dbraw/zinc/71/13/83/621711383.db2.gz ZAVWTFGYALEZNB-AWEZNQCLSA-N 0 0 314.429 3.293 20 10 DGCDRN Cc1ncsc1CCC(=O)NCc1ccc(N(C)C)cc1C ZINC000839683065 621711797 /nfs/dbraw/zinc/71/17/97/621711797.db2.gz KENGRIQWAOVMOU-UHFFFAOYSA-N 0 0 317.458 3.075 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cncc3ccccc32)c1 ZINC000103529435 621712105 /nfs/dbraw/zinc/71/21/05/621712105.db2.gz HATZKBGZAMKCSQ-LBPRGKRZSA-N 0 0 322.364 3.440 20 10 DGCDRN C[C@H](NC(=O)[C@H]1CCc2ccccc2O1)c1ccc(N(C)C)cc1 ZINC000839727649 621717408 /nfs/dbraw/zinc/71/74/08/621717408.db2.gz AEBIMXZXKMKHFQ-IFXJQAMLSA-N 0 0 324.424 3.324 20 10 DGCDRN CCC[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000757584651 621726663 /nfs/dbraw/zinc/72/66/63/621726663.db2.gz SMDZVQILSIQFDK-MRXNPFEDSA-N 0 0 303.450 3.474 20 10 DGCDRN C[C@H](Nc1cccc([C@H]2CNC(=O)C2)c1)c1cc(F)ccc1O ZINC000757619855 621728801 /nfs/dbraw/zinc/72/88/01/621728801.db2.gz UZAILAULKKJYCO-WCQYABFASA-N 0 0 314.360 3.308 20 10 DGCDRN COC(=O)c1cccc(CN(C)c2ccc(OC)c(F)c2)c1 ZINC000757851570 621742739 /nfs/dbraw/zinc/74/27/39/621742739.db2.gz AMCHMVZXGVOHND-UHFFFAOYSA-N 0 0 303.333 3.257 20 10 DGCDRN CCN(C(=O)CN(C)c1ccc(OC)c(F)c1)C1CCCCC1 ZINC000757852309 621742783 /nfs/dbraw/zinc/74/27/83/621742783.db2.gz JRYUXXDECWLRPK-UHFFFAOYSA-N 0 0 322.424 3.452 20 10 DGCDRN COc1ccc(N(C)CCOc2cccc([N+](=O)[O-])c2)cc1F ZINC000757851445 621742885 /nfs/dbraw/zinc/74/28/85/621742885.db2.gz JNYGTKHQIQXQAW-UHFFFAOYSA-N 0 0 320.320 3.258 20 10 DGCDRN O=C1/C(=C\c2ccc(C(F)F)nc2)SC(=S)N1C1CC1 ZINC000864356637 621760430 /nfs/dbraw/zinc/76/04/30/621760430.db2.gz SLTARDSLNMCTAG-BJMVGYQFSA-N 0 0 312.366 3.383 20 10 DGCDRN COc1ccc(C[NH2+]Cc2cccc(CCC(=O)[O-])c2)cc1C ZINC000864518388 621777183 /nfs/dbraw/zinc/77/71/83/621777183.db2.gz ILWXJJAUEVGQOF-UHFFFAOYSA-N 0 0 313.397 3.311 20 10 DGCDRN CN(C)c1ccc(C[NH2+]C[C@@H](CC(=O)[O-])C2CCCC2)cc1 ZINC000864523903 621778395 /nfs/dbraw/zinc/77/83/95/621778395.db2.gz OIYCXFYUVHDIPP-MRXNPFEDSA-N 0 0 304.434 3.123 20 10 DGCDRN CC[C@@]1(C)CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000758485935 621784942 /nfs/dbraw/zinc/78/49/42/621784942.db2.gz KSINVOHEDYTAIY-JKNJVXJCSA-N 0 0 318.373 3.407 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CC23CCCC3)cc1F ZINC000758545625 621788040 /nfs/dbraw/zinc/78/80/40/621788040.db2.gz OGLXBBZRTHVOED-OAHLLOKOSA-N 0 0 305.397 3.024 20 10 DGCDRN C[C@H](CCOC(=O)c1cccc(O)c1O)OCc1ccccc1 ZINC000758558899 621789001 /nfs/dbraw/zinc/78/90/01/621789001.db2.gz OGSXHGZKZKMFIL-CYBMUJFWSA-N 0 0 316.353 3.250 20 10 DGCDRN O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)C1=CC(=O)CS1 ZINC000758716633 621797988 /nfs/dbraw/zinc/79/79/88/621797988.db2.gz ZURWRFNQVJANJM-TZMCWYRMSA-N 0 0 321.373 3.243 20 10 DGCDRN CC[C@@]1(C)CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000758728358 621798208 /nfs/dbraw/zinc/79/82/08/621798208.db2.gz GWPFJRUGSIPEBO-IBGZPJMESA-N 0 0 315.461 3.401 20 10 DGCDRN C[C@@H]1C[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)[C@H](C)O1 ZINC000864786456 621813511 /nfs/dbraw/zinc/81/35/11/621813511.db2.gz SGHQDCCBEGWHMA-GLJUWKHASA-N 0 0 316.445 3.057 20 10 DGCDRN C[C@@H]1CCCC[C@@H]1OCCOC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000759789130 621890753 /nfs/dbraw/zinc/89/07/53/621890753.db2.gz QAXJPXXTOPVGTO-CEIRLDKZSA-N 0 0 320.385 3.250 20 10 DGCDRN CCN(CC)c1ccc(CNc2ncc3c(n2)CCOC3)cc1 ZINC000865294251 621891594 /nfs/dbraw/zinc/89/15/94/621891594.db2.gz KAQXNRASRRCKPT-UHFFFAOYSA-N 0 0 312.417 3.008 20 10 DGCDRN Cc1cc(O)c(CNc2nc(C3CCOCC3)ns2)cc1C ZINC000865294113 621891607 /nfs/dbraw/zinc/89/16/07/621891607.db2.gz BUENBZLERMSJTG-UHFFFAOYSA-N 0 0 319.430 3.367 20 10 DGCDRN c1cc(N2CCCC2)ccc1CNc1ccc(N2CCCC2)nn1 ZINC000865443171 621922917 /nfs/dbraw/zinc/92/29/17/621922917.db2.gz VALZCQCUDTZTGJ-UHFFFAOYSA-N 0 0 323.444 3.289 20 10 DGCDRN CC1(CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000760476166 621943361 /nfs/dbraw/zinc/94/33/61/621943361.db2.gz OYBQRJYSNGKUCY-HNNXBMFYSA-N 0 0 303.402 3.090 20 10 DGCDRN CCc1oc(C(=O)NCc2ccc(N(C)C)cc2C)cc1C ZINC000760546487 621950173 /nfs/dbraw/zinc/95/01/73/621950173.db2.gz YQSCTLIGZHKGCG-UHFFFAOYSA-N 0 0 300.402 3.455 20 10 DGCDRN CC(C)Oc1ccc(N(C)C(=O)c2cccc(O)c2O)cc1 ZINC000760677210 621958276 /nfs/dbraw/zinc/95/82/76/621958276.db2.gz IPLBIEFZCSPOEL-UHFFFAOYSA-N 0 0 301.342 3.162 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCC[C@@H]2CCCCO2)c1 ZINC000760905150 621973437 /nfs/dbraw/zinc/97/34/37/621973437.db2.gz JLDBPUYBUZAUDC-ZFWWWQNUSA-N 0 0 321.417 3.179 20 10 DGCDRN COCc1cc(NCc2cccc(OC)c2O)ccc1OC ZINC000865751726 621988220 /nfs/dbraw/zinc/98/82/20/621988220.db2.gz YCXOWCOXAWCMLR-UHFFFAOYSA-N 0 0 303.358 3.168 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000865761847 621990510 /nfs/dbraw/zinc/99/05/10/621990510.db2.gz IMXQTYILNRNIRN-BDJLRTHQSA-N 0 0 313.800 3.480 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CC(c3ccccc3)C2)cc1OC ZINC000866001178 622030872 /nfs/dbraw/zinc/03/08/72/622030872.db2.gz XRFREBBHMGZMMW-UHFFFAOYSA-N 0 0 314.341 3.216 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCSC2)cc1 ZINC000761856044 622034211 /nfs/dbraw/zinc/03/42/11/622034211.db2.gz REZZKDVJQNXOPR-OAHLLOKOSA-N 0 0 306.475 3.244 20 10 DGCDRN Cc1nc(C)c(Br)c(N2Cc3cccc(O)c3C2)n1 ZINC000866116870 622048610 /nfs/dbraw/zinc/04/86/10/622048610.db2.gz CXFFRYUCAIYKIV-UHFFFAOYSA-N 0 0 320.190 3.082 20 10 DGCDRN C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1O ZINC000866160760 622056593 /nfs/dbraw/zinc/05/65/93/622056593.db2.gz GDUDDAJZNSRYTM-ZDUSSCGKSA-N 0 0 313.401 3.019 20 10 DGCDRN CCOc1ncccc1NC(=O)N[C@@H](C)c1ccccc1O ZINC000866161550 622056955 /nfs/dbraw/zinc/05/69/55/622056955.db2.gz PXYOWGPZVXWDDA-NSHDSACASA-N 0 0 301.346 3.069 20 10 DGCDRN C[C@H](NC(=O)Nc1nnc(C2CC2)s1)c1ccccc1O ZINC000866161836 622057048 /nfs/dbraw/zinc/05/70/48/622057048.db2.gz YBNUVXDQHXDEKL-QMMMGPOBSA-N 0 0 304.375 3.004 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2C[C@@H]3CC=CC[C@@H]3C2)cc1OC ZINC000866163158 622057067 /nfs/dbraw/zinc/05/70/67/622057067.db2.gz GUDFEHHNRQXIDZ-TXEJJXNPSA-N 0 0 304.346 3.014 20 10 DGCDRN C[C@H](NC(=O)Nc1nc2c(s1)CCC2)c1ccccc1O ZINC000866161832 622057179 /nfs/dbraw/zinc/05/71/79/622057179.db2.gz XZKMUODSKFUJAH-VIFPVBQESA-N 0 0 303.387 3.220 20 10 DGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C1(C)CC1 ZINC000120998275 622081211 /nfs/dbraw/zinc/08/12/11/622081211.db2.gz DMJNVGOKSQNHPB-UHFFFAOYSA-N 0 0 312.207 3.303 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCC1CC(O)C1 ZINC000762716621 622094804 /nfs/dbraw/zinc/09/48/04/622094804.db2.gz JSUWZBVHNOIELV-UHFFFAOYSA-N 0 0 318.442 3.046 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1ncnc2ccsc21 ZINC000762800828 622099455 /nfs/dbraw/zinc/09/94/55/622099455.db2.gz VTCOWEXMDIYVBL-SECBINFHSA-N 0 0 301.371 3.146 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C=C(C2CC2)C2CC2)c1 ZINC000762804817 622100189 /nfs/dbraw/zinc/10/01/89/622100189.db2.gz JVVJMTBACWQSRX-LLVKDONJSA-N 0 0 301.386 3.324 20 10 DGCDRN CC(=O)c1cc(F)cc(CN(C)c2ccccc2N(C)C)c1O ZINC000762926774 622111626 /nfs/dbraw/zinc/11/16/26/622111626.db2.gz NJMYOTWXJXYHPZ-UHFFFAOYSA-N 0 0 316.376 3.436 20 10 DGCDRN C[C@@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])CC1(C)OCCO1 ZINC000866425260 622115705 /nfs/dbraw/zinc/11/57/05/622115705.db2.gz KQZQORZATNWFNM-GHMZBOCLSA-N 0 0 315.360 3.110 20 10 DGCDRN C[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])CC1(C)OCCO1 ZINC000866425261 622115711 /nfs/dbraw/zinc/11/57/11/622115711.db2.gz KQZQORZATNWFNM-MNOVXSKESA-N 0 0 315.360 3.110 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](C)CC1(C)OCCO1)c1ccc(Cl)cc1[O-] ZINC000866427018 622116844 /nfs/dbraw/zinc/11/68/44/622116844.db2.gz GWNDAMQUVFWDAG-NWDGAFQWSA-N 0 0 313.825 3.485 20 10 DGCDRN Cc1ncc([C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000866454459 622121273 /nfs/dbraw/zinc/12/12/73/622121273.db2.gz CQLUGAMZZWRUOP-DTWKUNHWSA-N 0 0 307.375 3.477 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)OCCn2ccnc2)cc1 ZINC000763112427 622123936 /nfs/dbraw/zinc/12/39/36/622123936.db2.gz RCCBGONFCYXXDJ-UHFFFAOYSA-N 0 0 309.369 3.148 20 10 DGCDRN CC(C)Oc1ccc(NC(=S)NCc2ccc(F)cn2)cc1 ZINC000763164289 622127096 /nfs/dbraw/zinc/12/70/96/622127096.db2.gz BAQLSCQGVCRXBE-UHFFFAOYSA-N 0 0 319.405 3.495 20 10 DGCDRN Fc1ccc(CNC(=S)Nc2ccc3c(c2)CCC3)nc1 ZINC000763168363 622127716 /nfs/dbraw/zinc/12/77/16/622127716.db2.gz XEKMNHIJXIPRCM-UHFFFAOYSA-N 0 0 301.390 3.196 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cnn(CC2CC2)c1 ZINC000866598604 622144409 /nfs/dbraw/zinc/14/44/09/622144409.db2.gz JLWLWMXZUXNUCB-UHFFFAOYSA-N 0 0 313.401 3.051 20 10 DGCDRN COc1ccc(N(CCCc2nc(C)no2)CC(C)C)cc1 ZINC000763514371 622149084 /nfs/dbraw/zinc/14/90/84/622149084.db2.gz FVPYNSONTNNPHT-UHFFFAOYSA-N 0 0 303.406 3.482 20 10 DGCDRN O=C(NCc1ccccc1O)[C@H](Cc1cccnc1)C1CCCC1 ZINC000866755900 622162345 /nfs/dbraw/zinc/16/23/45/622162345.db2.gz OGYBRUFFNUWLMM-GOSISDBHSA-N 0 0 324.424 3.453 20 10 DGCDRN COc1ccc(N(C)CCOc2ccccc2OC)cc1F ZINC000121769000 622180592 /nfs/dbraw/zinc/18/05/92/622180592.db2.gz PUFFQBFJDHCWBC-UHFFFAOYSA-N 0 0 305.349 3.358 20 10 DGCDRN C[C@H](NC(=O)NCCCOC1CCCCC1)c1ccccc1O ZINC000867985536 622200610 /nfs/dbraw/zinc/20/06/10/622200610.db2.gz GUPYLVPOXGSCLE-AWEZNQCLSA-N 0 0 320.433 3.492 20 10 DGCDRN COc1cccc(CCNC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000868055723 622209254 /nfs/dbraw/zinc/20/92/54/622209254.db2.gz DLQHKZFGKVZOKC-ZDUSSCGKSA-N 0 0 314.385 3.004 20 10 DGCDRN C[C@@H](NC(=O)NCCO[C@H]1CCCC[C@H]1C)c1ccccc1O ZINC000868103149 622214304 /nfs/dbraw/zinc/21/43/04/622214304.db2.gz GDVYCTFSYRNHCN-CPUCHLNUSA-N 0 0 320.433 3.348 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCCC12CC2 ZINC000868113397 622215308 /nfs/dbraw/zinc/21/53/08/622215308.db2.gz YQFOCWAXOLBSFI-KRWDZBQOSA-N 0 0 313.445 3.419 20 10 DGCDRN C[C@H](Cc1ccsc1)NC(=O)N[C@H](C)c1ccccc1O ZINC000868127193 622216549 /nfs/dbraw/zinc/21/65/49/622216549.db2.gz ZLPXODAROSYODK-VXGBXAGGSA-N 0 0 304.415 3.445 20 10 DGCDRN CCCCCNC(=O)NCc1cccc(Br)c1O ZINC000764756406 622217978 /nfs/dbraw/zinc/21/79/78/622217978.db2.gz COSBAJUFMMHXEV-UHFFFAOYSA-N 0 0 315.211 3.144 20 10 DGCDRN Nc1ccc(NC(=O)N2CCC(Cc3nccs3)CC2)cc1 ZINC000868162904 622220556 /nfs/dbraw/zinc/22/05/56/622220556.db2.gz KNVPADYZFWPSCQ-UHFFFAOYSA-N 0 0 316.430 3.212 20 10 DGCDRN Cc1cc(N)cc(NC(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000868194193 622224011 /nfs/dbraw/zinc/22/40/11/622224011.db2.gz MLJRORJLTXGJJN-UHFFFAOYSA-N 0 0 324.428 3.281 20 10 DGCDRN CSCCCN1C(=O)/C(=C\c2ccc(C)nc2)SC1=S ZINC000764891857 622230956 /nfs/dbraw/zinc/23/09/56/622230956.db2.gz PBLMTHVZFLWNEN-XYOKQWHBSA-N 0 0 324.496 3.344 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000868299023 622231749 /nfs/dbraw/zinc/23/17/49/622231749.db2.gz YIZIYNHUYOVJBL-HDICACEKSA-N 0 0 323.440 3.170 20 10 DGCDRN Cc1ccc(CCCC(=O)NCCc2ccc(O)c(O)c2)s1 ZINC000122090919 622231814 /nfs/dbraw/zinc/23/18/14/622231814.db2.gz QXGDVQMOYSGOCJ-UHFFFAOYSA-N 0 0 319.426 3.149 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1C[C@@]1(C)c1ccccc1)c1ccccc1O ZINC000868308896 622232892 /nfs/dbraw/zinc/23/28/92/622232892.db2.gz CTNBHDVQZNFSLK-XVSDVWIESA-N 0 0 310.397 3.483 20 10 DGCDRN Oc1c(Br)cccc1CNc1ncc(Cl)cn1 ZINC000764934814 622233837 /nfs/dbraw/zinc/23/38/37/622233837.db2.gz MUDFNFSENKMANW-UHFFFAOYSA-N 0 0 314.570 3.210 20 10 DGCDRN CC(=O)c1ccc(NCc2cccc(Br)c2O)nc1 ZINC000764934079 622233889 /nfs/dbraw/zinc/23/38/89/622233889.db2.gz IVFROXOFXHEWDF-UHFFFAOYSA-N 0 0 321.174 3.364 20 10 DGCDRN Cc1cnc(NCc2cccc(Br)c2O)nc1C ZINC000764933967 622234144 /nfs/dbraw/zinc/23/41/44/622234144.db2.gz GYFVKLFWLIIGQO-UHFFFAOYSA-N 0 0 308.179 3.174 20 10 DGCDRN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N[C@@H](C)c1ccccc1O ZINC000868343115 622236630 /nfs/dbraw/zinc/23/66/30/622236630.db2.gz MGXSZSTYAIBCRV-VBQJREDUSA-N 0 0 320.433 3.204 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1)c1ccccc1O ZINC000868460961 622245540 /nfs/dbraw/zinc/24/55/40/622245540.db2.gz IBVBZADYOCRQAH-HEHGZKQESA-N 0 0 320.433 3.346 20 10 DGCDRN COC[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 ZINC000868470049 622246607 /nfs/dbraw/zinc/24/66/07/622246607.db2.gz PVAVBFGIDANZDT-XJKSGUPXSA-N 0 0 314.385 3.140 20 10 DGCDRN COCC[C@H](NC(=O)N[C@@H](C)c1ccccc1O)c1ccco1 ZINC000868486991 622248933 /nfs/dbraw/zinc/24/89/33/622248933.db2.gz NRKKZAQMSMAFHB-JSGCOSHPSA-N 0 0 318.373 3.123 20 10 DGCDRN C[C@@H](NC(=O)N1CCC(C)(F)CC1)c1ccc(N(C)C)cc1 ZINC000868514840 622252593 /nfs/dbraw/zinc/25/25/93/622252593.db2.gz FCEWMBLCOOBMDM-CYBMUJFWSA-N 0 0 307.413 3.347 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1CCCC12CC2)c1ccc(N(C)C)cc1 ZINC000868515120 622252899 /nfs/dbraw/zinc/25/28/99/622252899.db2.gz IZVYEHSJBUDISM-BBRMVZONSA-N 0 0 301.434 3.446 20 10 DGCDRN CO[C@@H]1CC[C@@H](C)N(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000868515930 622253041 /nfs/dbraw/zinc/25/30/41/622253041.db2.gz XDEUFTMTXAASBT-JKIFEVAISA-N 0 0 319.449 3.023 20 10 DGCDRN C[C@@H](NC(=O)NCC[C@H]1CCSC1)c1ccc(N(C)C)cc1 ZINC000868515953 622253054 /nfs/dbraw/zinc/25/30/54/622253054.db2.gz XRFBOJOGRYYZCK-KGLIPLIRSA-N 0 0 321.490 3.256 20 10 DGCDRN C[C@H](NC(=O)NCCC1C[C@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000868585472 622260782 /nfs/dbraw/zinc/26/07/82/622260782.db2.gz FPFWLLYUBNVGLT-IHRRRGAJSA-N 0 0 320.433 3.346 20 10 DGCDRN CCC(=O)CNC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000765457895 622266639 /nfs/dbraw/zinc/26/66/39/622266639.db2.gz GPCVOQQHIJLPNS-UHFFFAOYSA-N 0 0 318.804 3.456 20 10 DGCDRN COc1ccc(O)c([C@@H](C)Nc2ncncc2Br)c1 ZINC000765489078 622268267 /nfs/dbraw/zinc/26/82/67/622268267.db2.gz KUAMONVPHBFZEC-MRVPVSSYSA-N 0 0 324.178 3.126 20 10 DGCDRN C[C@H](CNC(=O)N[C@@H](C)c1ccccc1O)CC(F)(F)F ZINC000868706599 622275702 /nfs/dbraw/zinc/27/57/02/622275702.db2.gz YQUHIMYWYHLLOQ-UWVGGRQHSA-N 0 0 304.312 3.341 20 10 DGCDRN C[C@@H](NC(=O)NC[C@@H]1CC12CCSCC2)c1ccccc1O ZINC000868715080 622276527 /nfs/dbraw/zinc/27/65/27/622276527.db2.gz JJCBCHWGANBPNX-OLZOCXBDSA-N 0 0 320.458 3.286 20 10 DGCDRN CC(C)SCCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000805308271 622276652 /nfs/dbraw/zinc/27/66/52/622276652.db2.gz BCVGHPWJMAOWKC-ZDUSSCGKSA-N 0 0 309.479 3.254 20 10 DGCDRN C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccc(N(C)C)cc1 ZINC000765619750 622277349 /nfs/dbraw/zinc/27/73/49/622277349.db2.gz MQDYOXMZIYJBRQ-LBPRGKRZSA-N 0 0 315.373 3.217 20 10 DGCDRN C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)c2ccccc2O1 ZINC000765650379 622279707 /nfs/dbraw/zinc/27/97/07/622279707.db2.gz LQIQOJBNMYRKMC-INIZCTEOSA-N 0 0 324.424 3.311 20 10 DGCDRN CC[C@H]1C[C@@H](CN2CCOc3cc(N(C)C)ccc32)CCO1 ZINC000765653600 622279775 /nfs/dbraw/zinc/27/97/75/622279775.db2.gz APBRVXDBFKUUGY-HOCLYGCPSA-N 0 0 304.434 3.157 20 10 DGCDRN C[C@H](NC(=O)N[C@@H](C1CC1)[C@@H]1CCCCO1)c1ccccc1O ZINC000868750276 622280629 /nfs/dbraw/zinc/28/06/29/622280629.db2.gz ITHYMCUNPZZAPO-ZLIFDBKOSA-N 0 0 318.417 3.100 20 10 DGCDRN C[C@@H](NC(=O)N[C@H]1C[C@H](OC(C)(C)C)C1)c1ccccc1O ZINC000868752254 622281058 /nfs/dbraw/zinc/28/10/58/622281058.db2.gz NSGHGJPOYNORGZ-JHJVBQTASA-N 0 0 306.406 3.099 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCCC23CC3)c1 ZINC000868845393 622292154 /nfs/dbraw/zinc/29/21/54/622292154.db2.gz VCSWFNFPALOFPO-NHYWBVRUSA-N 0 0 304.390 3.094 20 10 DGCDRN FC(F)Oc1ccc2c(c1)CCCN2Cn1cc[nH]c1=S ZINC000766349998 622323748 /nfs/dbraw/zinc/32/37/48/622323748.db2.gz CCOTVCXIQIGBHF-UHFFFAOYSA-N 0 0 311.357 3.184 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCOC[C@@H]2C)cc1 ZINC000766372916 622325427 /nfs/dbraw/zinc/32/54/27/622325427.db2.gz HBKKRISNXXUWAP-MAUKXSAKSA-N 0 0 318.461 3.164 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@H]3C(C)(C)C)C2)cc1 ZINC000869227677 622332024 /nfs/dbraw/zinc/33/20/24/622332024.db2.gz BMDBQBHGZSYUTP-IAOVAPTHSA-N 0 0 316.445 3.072 20 10 DGCDRN COc1ccc(CNC(=S)Nc2ccc(C)cc2C)nc1 ZINC000766512825 622335211 /nfs/dbraw/zinc/33/52/11/622335211.db2.gz SXSCPTIKLMISHW-UHFFFAOYSA-N 0 0 301.415 3.194 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NOCC(F)(F)F ZINC000766771519 622352287 /nfs/dbraw/zinc/35/22/87/622352287.db2.gz MRMXJWJPCFIQNT-UHFFFAOYSA-N 0 0 318.320 3.379 20 10 DGCDRN CC(C)(C(=O)NCCc1ccc(O)c(O)c1)C1CCCCC1 ZINC000767148227 622378274 /nfs/dbraw/zinc/37/82/74/622378274.db2.gz LORSTJMERUCBKR-UHFFFAOYSA-N 0 0 305.418 3.363 20 10 DGCDRN CC[C@H](C)OCC(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000129237645 625561707 /nfs/dbraw/zinc/56/17/07/625561707.db2.gz CBJUMGLRTIDJQQ-ZDUSSCGKSA-N 0 0 310.413 3.103 20 10 DGCDRN CC(C)(C)c1cnc(SCC2CCS(=O)(=O)CC2)s1 ZINC000767210104 622383419 /nfs/dbraw/zinc/38/34/19/622383419.db2.gz UTHDTQMMMFYDAY-UHFFFAOYSA-N 0 0 319.517 3.358 20 10 DGCDRN COC(=O)/C=C/c1ccc(N2CCCC23CCC3)c([N+](=O)[O-])c1 ZINC000767443557 622399441 /nfs/dbraw/zinc/39/94/41/622399441.db2.gz XMWGPZBFWSUMPJ-FNORWQNLSA-N 0 0 316.357 3.304 20 10 DGCDRN CC1(C)CN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@H]1c1ccco1 ZINC000869788464 622402641 /nfs/dbraw/zinc/40/26/41/622402641.db2.gz QRUMZISYJOSLMX-QLBOMPFWSA-N 0 0 313.353 3.314 20 10 DGCDRN CCc1cc(C(=O)NCc2ccc(N(C)C)cc2)oc1CC ZINC000767817849 622423585 /nfs/dbraw/zinc/42/35/85/622423585.db2.gz ZIONDUIRGCYMNT-UHFFFAOYSA-N 0 0 300.402 3.400 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000767918593 622427783 /nfs/dbraw/zinc/42/77/83/622427783.db2.gz URPILVFZKAISRB-UHFFFAOYSA-N 0 0 308.341 3.104 20 10 DGCDRN Cc1cc(OCC(=O)NCc2ccccc2O)cc(C)c1Cl ZINC000767925943 622428873 /nfs/dbraw/zinc/42/88/73/622428873.db2.gz FXSRLNCARLEYAW-UHFFFAOYSA-N 0 0 319.788 3.358 20 10 DGCDRN Cc1cc(C(=O)NCc2cccnn2)c(C)n1-c1ccccc1C ZINC000768022342 622433770 /nfs/dbraw/zinc/43/37/70/622433770.db2.gz XBTYOGTYHMCXLV-UHFFFAOYSA-N 0 0 320.396 3.123 20 10 DGCDRN CCOC(=O)CC1([NH2+]Cc2cccc(Cl)c2[O-])CCCC1 ZINC000789778130 625566339 /nfs/dbraw/zinc/56/63/39/625566339.db2.gz DPIPTRMCBCSJIH-UHFFFAOYSA-N 0 0 311.809 3.401 20 10 DGCDRN CC(=O)c1cccc(C(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000768159303 622442207 /nfs/dbraw/zinc/44/22/07/622442207.db2.gz NITKLOZANGCNTJ-UHFFFAOYSA-N 0 0 323.392 3.404 20 10 DGCDRN CC(C)OC(=O)[C@H](C)N(C)Cc1cc2c(cc1O)CCCC2 ZINC000768464247 622458079 /nfs/dbraw/zinc/45/80/79/622458079.db2.gz PIWGHTOFFFZRBR-ZDUSSCGKSA-N 0 0 305.418 3.043 20 10 DGCDRN Cc1nc(Sc2ncc(C(C)(C)C)s2)nc(N(C)C)n1 ZINC000768532844 622462306 /nfs/dbraw/zinc/46/23/06/622462306.db2.gz KPQKPCUPDNQGGQ-UHFFFAOYSA-N 0 0 309.464 3.151 20 10 DGCDRN C[C@@]1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCO[C@@H]1C1CC1 ZINC000768540589 622463436 /nfs/dbraw/zinc/46/34/36/622463436.db2.gz JMOJNWIXWOTSSZ-CVEARBPZSA-N 0 0 313.800 3.480 20 10 DGCDRN CC1(C)CN(C(=O)/C=C\c2ccc(O)c(O)c2)CC(C)(C)C1 ZINC000768645793 622469012 /nfs/dbraw/zinc/46/90/12/622469012.db2.gz OTDQTXLPRUIITN-VURMDHGXSA-N 0 0 303.402 3.396 20 10 DGCDRN CC[C@H](CCO)NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000768858635 622481303 /nfs/dbraw/zinc/48/13/03/622481303.db2.gz MTJINRSFKYVVSF-MRXNPFEDSA-N 0 0 314.429 3.293 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)/C=C/c2ccsc2)c1 ZINC000768911748 622484882 /nfs/dbraw/zinc/48/48/82/622484882.db2.gz SYNWVLIXSKJXEZ-GQOHGMTASA-N 0 0 303.383 3.353 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@H](F)c2ccccc2)cc1F ZINC000768988200 622490224 /nfs/dbraw/zinc/49/02/24/622490224.db2.gz PEEPKIFTBNFFJT-MRXNPFEDSA-N 0 0 304.340 3.219 20 10 DGCDRN CCOc1ccc(O)c(CN(C)Cc2csc(CC)n2)c1 ZINC000769127326 622500664 /nfs/dbraw/zinc/50/06/64/622500664.db2.gz XHQCPKDRCUGUSA-UHFFFAOYSA-N 0 0 306.431 3.442 20 10 DGCDRN CCSc1ccccc1C(=O)N1CCS[C@@H]2COCC[C@H]21 ZINC000769343921 622519864 /nfs/dbraw/zinc/51/98/64/622519864.db2.gz MBVHIGSHVFPAED-UKRRQHHQSA-N 0 0 323.483 3.145 20 10 DGCDRN COC(=O)c1ccc2c(c1)CN(Cc1cc(Cl)ccc1O)C2 ZINC000769372695 622522075 /nfs/dbraw/zinc/52/20/75/622522075.db2.gz YFPGZHGZPFKKGD-UHFFFAOYSA-N 0 0 317.772 3.348 20 10 DGCDRN COc1ccc(NCc2cccc(Br)c2O)nc1 ZINC000769406831 622524998 /nfs/dbraw/zinc/52/49/98/622524998.db2.gz SRPGTEZLGHLQSD-UHFFFAOYSA-N 0 0 309.163 3.170 20 10 DGCDRN Cc1cnc(N2CCN(Cc3cc(Cl)ccc3O)CC2)s1 ZINC000769456373 622529164 /nfs/dbraw/zinc/52/91/64/622529164.db2.gz JEFHSYCWRCPKAX-UHFFFAOYSA-N 0 0 323.849 3.133 20 10 DGCDRN Cc1cccc(C[N@@H+](C)Cc2cccc(Br)c2[O-])n1 ZINC000769480447 622532550 /nfs/dbraw/zinc/53/25/50/622532550.db2.gz NTEZXXKEIOLQGB-UHFFFAOYSA-N 0 0 321.218 3.490 20 10 DGCDRN COc1cccc(O)c1CN1CCc2c3ccccc3[nH]c2C1 ZINC000769512434 622536007 /nfs/dbraw/zinc/53/60/07/622536007.db2.gz DTVVYVCDZJTHKF-UHFFFAOYSA-N 0 0 308.381 3.440 20 10 DGCDRN COC(=O)COc1ccc(N(C)CCc2ccccc2F)cc1 ZINC000769555874 622540616 /nfs/dbraw/zinc/54/06/16/622540616.db2.gz XZQVODRAPLWCRF-UHFFFAOYSA-N 0 0 317.360 3.056 20 10 DGCDRN CCSc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1 ZINC000769741351 622556432 /nfs/dbraw/zinc/55/64/32/622556432.db2.gz SQWDYYUOOJPYIE-FOWTUZBSSA-N 0 0 324.405 3.260 20 10 DGCDRN CC(C)c1cccc(OCC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871199136 622565768 /nfs/dbraw/zinc/56/57/68/622565768.db2.gz SZAUPGRNTUIVHO-UHFFFAOYSA-N 0 0 311.381 3.437 20 10 DGCDRN C[C@H](CCOc1ccccc1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871202484 622566608 /nfs/dbraw/zinc/56/66/08/622566608.db2.gz JCDQTAMMFFUSTO-CQSZACIVSA-N 0 0 311.381 3.340 20 10 DGCDRN CO[C@H](C)c1nc(C)c(C(=O)N2Cc3cccc(O)c3C2)s1 ZINC000871203705 622567244 /nfs/dbraw/zinc/56/72/44/622567244.db2.gz QKRJOUVBWHQRSP-SNVBAGLBSA-N 0 0 318.398 3.021 20 10 DGCDRN O=C([C@@H]1C[C@@H]1c1cccc(F)c1F)N1Cc2cccc(O)c2C1 ZINC000871202874 622567269 /nfs/dbraw/zinc/56/72/69/622567269.db2.gz NWQYTOIBBDDYPB-CHWSQXEVSA-N 0 0 315.319 3.316 20 10 DGCDRN O=C(c1ccn(C2CCCCC2)n1)N1Cc2cccc(O)c2C1 ZINC000871205095 622568103 /nfs/dbraw/zinc/56/81/03/622568103.db2.gz WCJMXOSRZUVKEO-UHFFFAOYSA-N 0 0 311.385 3.250 20 10 DGCDRN Cc1csc(CCCC(=O)N2Cc3cccc(O)c3C2)n1 ZINC000871205150 622568168 /nfs/dbraw/zinc/56/81/68/622568168.db2.gz PGEYHIKQPGUCKU-UHFFFAOYSA-N 0 0 302.399 3.022 20 10 DGCDRN CC(C)O[C@H](C(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000871205757 622568180 /nfs/dbraw/zinc/56/81/80/622568180.db2.gz XSTGCGPRALKQOW-SFHVURJKSA-N 0 0 311.381 3.401 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCC[C@](F)(c2ccccc2)C1 ZINC000871371529 622612047 /nfs/dbraw/zinc/61/20/47/622612047.db2.gz BVGGOIUDLGPYKL-GOSISDBHSA-N 0 0 315.344 3.199 20 10 DGCDRN Cc1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)cn1 ZINC000770256001 622617159 /nfs/dbraw/zinc/61/71/59/622617159.db2.gz NGFYWURUYOUBLK-UHFFFAOYSA-N 0 0 310.401 3.312 20 10 DGCDRN Cc1cc(C(=O)NC[C@@H](O)C(C)C)c(C)n1-c1ccccc1C ZINC000770624608 622653321 /nfs/dbraw/zinc/65/33/21/622653321.db2.gz LGMMCWDASNAMIC-GOSISDBHSA-N 0 0 314.429 3.149 20 10 DGCDRN Cn1cc(CC[NH2+]Cc2cccc(F)c2[O-])c2ccc(F)cc21 ZINC000770669385 622658858 /nfs/dbraw/zinc/65/88/58/622658858.db2.gz VNCUXYIVVOKVND-UHFFFAOYSA-N 0 0 316.351 3.494 20 10 DGCDRN COc1cccc(O)c1CN1CCSC[C@@H]1c1nccs1 ZINC000770673143 622659986 /nfs/dbraw/zinc/65/99/86/622659986.db2.gz GJHHGHOKATYKLQ-GFCCVEGCSA-N 0 0 322.455 3.147 20 10 DGCDRN CC(C)(C)S(=O)(=O)CCCSc1ncc(Cl)s1 ZINC000871678681 622665420 /nfs/dbraw/zinc/66/54/20/622665420.db2.gz OACOHKNOGFLLHV-UHFFFAOYSA-N 0 0 313.897 3.492 20 10 DGCDRN O=S(=O)(C1CCC1)N(Cc1ccccc1O)C1CCCCC1 ZINC000881911774 625587658 /nfs/dbraw/zinc/58/76/58/625587658.db2.gz CLIFYZLXYRVBRC-UHFFFAOYSA-N 0 0 323.458 3.409 20 10 DGCDRN C[C@H]1CCCN1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000888589579 622733402 /nfs/dbraw/zinc/73/34/02/622733402.db2.gz MFZRCIDAUUMQEW-ZDUSSCGKSA-N 0 0 321.384 3.413 20 10 DGCDRN Cc1cc(F)ccc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000771253872 622733563 /nfs/dbraw/zinc/73/35/63/622733563.db2.gz GTHZQQDSUMZXJY-UHFFFAOYSA-N 0 0 312.388 3.447 20 10 DGCDRN CO[C@@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)C(C)C ZINC000771330096 622743123 /nfs/dbraw/zinc/74/31/23/622743123.db2.gz CHIQDECELXEIHY-GOSISDBHSA-N 0 0 318.461 3.210 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1c(C)nn(C)c1Cl ZINC000771618319 622781102 /nfs/dbraw/zinc/78/11/02/622781102.db2.gz KBJKMTKCDVRPCP-UHFFFAOYSA-N 0 0 305.809 3.343 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)OCCn2ccnc2C)cc1 ZINC000771873030 622807069 /nfs/dbraw/zinc/80/70/69/622807069.db2.gz ABQBDEDSZZFPCJ-UHFFFAOYSA-N 0 0 323.396 3.456 20 10 DGCDRN CCn1ncc(NC2CCN(c3ccc(OC)cc3)CC2)c1C ZINC000872136505 622828979 /nfs/dbraw/zinc/82/89/79/622828979.db2.gz FVNHNLTXJCYLHY-UHFFFAOYSA-N 0 0 314.433 3.301 20 10 DGCDRN CCN(CC)c1ccc(CNc2cc(Cl)n[nH]c2=O)cc1 ZINC000872416080 622909805 /nfs/dbraw/zinc/90/98/05/622909805.db2.gz RZEUUAFJWGKGLM-UHFFFAOYSA-N 0 0 306.797 3.294 20 10 DGCDRN CN(C)c1ccc(CN(c2cc(Cl)n[nH]c2=O)C2CC2)cc1 ZINC000872417243 622910079 /nfs/dbraw/zinc/91/00/79/622910079.db2.gz QPNHHQOCSXXBQY-UHFFFAOYSA-N 0 0 318.808 3.071 20 10 DGCDRN C[C@@H](c1ccco1)N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000124127655 622931244 /nfs/dbraw/zinc/93/12/44/622931244.db2.gz ZYPGTGUOCQVSGA-ZDUSSCGKSA-N 0 0 301.390 3.248 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1cc(Cl)n[nH]c1=O ZINC000872572944 622937170 /nfs/dbraw/zinc/93/71/70/622937170.db2.gz QTTCFHDFQFZPRG-LLVKDONJSA-N 0 0 320.824 3.253 20 10 DGCDRN C[C@@H](NC(=O)c1ccc2c(c1)COC2)c1ccc(N(C)C)cc1 ZINC000772998375 622962877 /nfs/dbraw/zinc/96/28/77/622962877.db2.gz JKKVXWJXOARNPE-CYBMUJFWSA-N 0 0 310.397 3.274 20 10 DGCDRN CCc1ncsc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773011207 622966357 /nfs/dbraw/zinc/96/63/57/622966357.db2.gz DONLUDOEOGMRMO-LLVKDONJSA-N 0 0 303.431 3.263 20 10 DGCDRN C[C@H](NC(=O)Cc1ccc2c(c1)COC2)c1ccc(N(C)C)cc1 ZINC000773014933 622967040 /nfs/dbraw/zinc/96/70/40/622967040.db2.gz NQNMCUPFSFDDCA-AWEZNQCLSA-N 0 0 324.424 3.203 20 10 DGCDRN Cc1noc2ncc(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cc12 ZINC000773021007 622968739 /nfs/dbraw/zinc/96/87/39/622968739.db2.gz QGDQDLMKKSOKRL-NSHDSACASA-N 0 0 324.384 3.088 20 10 DGCDRN CCc1noc(C)c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773021852 622968801 /nfs/dbraw/zinc/96/88/01/622968801.db2.gz ULQPJHBDOZSUBI-LLVKDONJSA-N 0 0 301.390 3.102 20 10 DGCDRN C[C@@H](NC(=O)CC[C@H]1CCCCO1)c1ccc(N(C)C)cc1 ZINC000773028236 622969888 /nfs/dbraw/zinc/96/98/88/622969888.db2.gz ZJEBGSAXKVDEAT-RHSMWYFYSA-N 0 0 304.434 3.279 20 10 DGCDRN O=[N+]([O-])c1cnc(SC[C@H]2OCCc3ccccc32)s1 ZINC000872770971 622974173 /nfs/dbraw/zinc/97/41/73/622974173.db2.gz PCKIEVBPVOSSJS-LLVKDONJSA-N 0 0 308.384 3.457 20 10 DGCDRN CCC[C@@H](C)CS(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773087199 622981459 /nfs/dbraw/zinc/98/14/59/622981459.db2.gz GYEGWNPEGCMEGA-ZIAGYGMSSA-N 0 0 312.479 3.169 20 10 DGCDRN Cc1ccc(N2C(=O)/C(=C/c3ccn(C)n3)SC2=S)cc1 ZINC000773147089 622991822 /nfs/dbraw/zinc/99/18/22/622991822.db2.gz ZPSNGFUEPQODRU-LCYFTJDESA-N 0 0 315.423 3.134 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H](C)Cc1ccco1)c1ccc(N(C)C)cc1 ZINC000773193791 622997876 /nfs/dbraw/zinc/99/78/76/622997876.db2.gz YJGXXVQUWNEWQQ-UONOGXRCSA-N 0 0 315.417 3.337 20 10 DGCDRN Cc1ccc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000773202091 622998860 /nfs/dbraw/zinc/99/88/60/622998860.db2.gz YSXIDIXTLRJEHP-CQSZACIVSA-N 0 0 312.417 3.016 20 10 DGCDRN Cc1ccsc1CCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000773309240 623010934 /nfs/dbraw/zinc/01/09/34/623010934.db2.gz ALUOZSURVUEKIJ-UHFFFAOYSA-N 0 0 317.458 3.164 20 10 DGCDRN COC1(C)CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000773611959 623051140 /nfs/dbraw/zinc/05/11/40/623051140.db2.gz BJPAWGUDLAJMKL-AWEZNQCLSA-N 0 0 319.449 3.024 20 10 DGCDRN C[C@H](NC(=O)N1CCC[C@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000773615993 623051591 /nfs/dbraw/zinc/05/15/91/623051591.db2.gz CQFHSHQVDIVTJD-GUYCJALGSA-N 0 0 301.434 3.398 20 10 DGCDRN C[C@@H](NC(=O)NC[C@H]1CC=CCC1)c1ccc(N(C)C)cc1 ZINC000773622651 623052215 /nfs/dbraw/zinc/05/22/15/623052215.db2.gz HAONAVGMFNJMHW-CABCVRRESA-N 0 0 301.434 3.469 20 10 DGCDRN CCN1C(=O)/C(=C/c2nccn2-c2ccccc2)SC1=S ZINC000790212298 625617000 /nfs/dbraw/zinc/61/70/00/625617000.db2.gz TULOBOYBPOSSLS-BENRWUELSA-N 0 0 315.423 3.093 20 10 DGCDRN Cc1cncc(/C=C/C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773995319 623097423 /nfs/dbraw/zinc/09/74/23/623097423.db2.gz TZXWIXFNRWHVRL-RNOHYWCBSA-N 0 0 309.413 3.347 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1cc(F)cc(F)c1[O-] ZINC000774377330 623137512 /nfs/dbraw/zinc/13/75/12/623137512.db2.gz FZXDNWQJEAUJRY-BXUZGUMPSA-N 0 0 310.388 3.338 20 10 DGCDRN Cc1nc(-c2ccc(NCc3ccccc3O)nc2)[nH]c(=O)c1C ZINC000774523654 623155805 /nfs/dbraw/zinc/15/58/05/623155805.db2.gz IUVQHHRBJVPOBU-UHFFFAOYSA-N 0 0 322.368 3.179 20 10 DGCDRN CCOC(=O)c1ccc(CN2CCCc3cc(OC)ccc32)o1 ZINC000774546286 623159033 /nfs/dbraw/zinc/15/90/33/623159033.db2.gz OCQZVTOXCOETHD-UHFFFAOYSA-N 0 0 315.369 3.418 20 10 DGCDRN COc1c([O-])c(C[N@H+](C)C2CCCCCC2)ccc1[N+](=O)[O-] ZINC000774839442 623198101 /nfs/dbraw/zinc/19/81/01/623198101.db2.gz ZRYAOTWVPQUMJL-UHFFFAOYSA-N 0 0 308.378 3.464 20 10 DGCDRN COc1c([O-])c(C[NH2+]C[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000774943000 623210256 /nfs/dbraw/zinc/21/02/56/623210256.db2.gz SKPHCVIUPOWGTD-LBPRGKRZSA-N 0 0 316.357 3.202 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000774942248 623210302 /nfs/dbraw/zinc/21/03/02/623210302.db2.gz JQIYAZAPKKPDJC-NQBHXWOUSA-N 0 0 308.378 3.223 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@@H](C)Cc2ccsc2)ccc1[N+](=O)[O-] ZINC000774976602 623212760 /nfs/dbraw/zinc/21/27/60/623212760.db2.gz HWIFPKDBUUYJNJ-JTQLQIEISA-N 0 0 322.386 3.091 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774980900 623213722 /nfs/dbraw/zinc/21/37/22/623213722.db2.gz FAYHCNGBOFQFQU-YABSGUDNSA-N 0 0 308.378 3.223 20 10 DGCDRN Cc1cc(NCc2cc(Cl)ccc2O)cc(OCCO)c1 ZINC000775035151 623219032 /nfs/dbraw/zinc/21/90/32/623219032.db2.gz VQDUDPJUGAEJIZ-UHFFFAOYSA-N 0 0 307.777 3.337 20 10 DGCDRN COc1c([O-])c(C[NH2+]CCc2sccc2C)ccc1[N+](=O)[O-] ZINC000775049717 623220558 /nfs/dbraw/zinc/22/05/58/623220558.db2.gz CGSPPWPNCOAHCU-UHFFFAOYSA-N 0 0 322.386 3.011 20 10 DGCDRN C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000873961981 623224155 /nfs/dbraw/zinc/22/41/55/623224155.db2.gz JJJRIKHTPWRXPC-RISCZKNCSA-N 0 0 302.378 3.500 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CCCC3(CCCC3)C2)ccc1[N+](=O)[O-] ZINC000775098014 623230715 /nfs/dbraw/zinc/23/07/15/623230715.db2.gz OBWORJVCWGHNBY-UHFFFAOYSA-N 0 0 320.389 3.465 20 10 DGCDRN C[C@H]1CCC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000874161322 623246163 /nfs/dbraw/zinc/24/61/63/623246163.db2.gz RJFXWIZGYISLID-NWDGAFQWSA-N 0 0 302.378 3.405 20 10 DGCDRN C[C@@H](NC(=O)c1cccc2c[nH]nc21)c1ccc(N(C)C)cc1 ZINC000775402682 623269625 /nfs/dbraw/zinc/26/96/25/623269625.db2.gz FTZGQJKARDQZTE-GFCCVEGCSA-N 0 0 308.385 3.120 20 10 DGCDRN COc1ncccc1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775432554 623274170 /nfs/dbraw/zinc/27/41/70/623274170.db2.gz ILEQTNCMGPSVFB-GFCCVEGCSA-N 0 0 314.389 3.039 20 10 DGCDRN CCCn1nccc1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775432641 623274358 /nfs/dbraw/zinc/27/43/58/623274358.db2.gz KTHVBOSCHHWBNP-ZDUSSCGKSA-N 0 0 315.421 3.242 20 10 DGCDRN CCNC(=O)[C@H](C)[NH2+][C@@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775485226 623278823 /nfs/dbraw/zinc/27/88/23/623278823.db2.gz QRSIGUQQYKBZQM-KWQFWETISA-N 0 0 319.232 3.264 20 10 DGCDRN CC[C@H]([NH2+]C[C@H]1COCCO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775490332 623279841 /nfs/dbraw/zinc/27/98/41/623279841.db2.gz BYHFOBCDKFICFZ-CABZTGNLSA-N 0 0 320.216 3.155 20 10 DGCDRN CC[C@H]([NH2+][C@H](C)CC(N)=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000775513987 623283307 /nfs/dbraw/zinc/28/33/07/623283307.db2.gz PXZOSMLCYNSRIJ-XCBNKYQSSA-N 0 0 305.205 3.004 20 10 DGCDRN CN(C)c1ccc(CNC(=S)Nc2ccsc2)cc1F ZINC000790313636 625636037 /nfs/dbraw/zinc/63/60/37/625636037.db2.gz REEGTGIHKFDFOJ-UHFFFAOYSA-N 0 0 309.435 3.440 20 10 DGCDRN C[C@@]1(CNC(=O)C2=CC(=O)CS2)CCCc2ccccc21 ZINC000775619517 623297927 /nfs/dbraw/zinc/29/79/27/623297927.db2.gz YEDORGLXGBBTPM-KRWDZBQOSA-N 0 0 301.411 3.478 20 10 DGCDRN CCOC(=O)CC[N@@H+](Cc1cccc(Cl)c1[O-])CC1CC1 ZINC000775663132 623308545 /nfs/dbraw/zinc/30/85/45/623308545.db2.gz KEBWHLYTEQJDQB-UHFFFAOYSA-N 0 0 311.809 3.211 20 10 DGCDRN Oc1ccccc1CN(Cc1ccco1)c1ncnc2c1CCC2 ZINC000775679772 623312503 /nfs/dbraw/zinc/31/25/03/623312503.db2.gz RNALVGRVHUTPQG-UHFFFAOYSA-N 0 0 321.380 3.471 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000775724424 623319663 /nfs/dbraw/zinc/31/96/63/623319663.db2.gz CVFZJOJPBOYXSU-LBPRGKRZSA-N 0 0 313.800 3.433 20 10 DGCDRN CC(C)CO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775737716 623322080 /nfs/dbraw/zinc/32/20/80/623322080.db2.gz KCJHWDJFKPMDLO-CYBMUJFWSA-N 0 0 301.789 3.432 20 10 DGCDRN O=C(NCc1ccccc1O)[C@H]1CCc2c1cccc2Cl ZINC000775779554 623330505 /nfs/dbraw/zinc/33/05/05/623330505.db2.gz BKNATYZUWJHZEW-AWEZNQCLSA-N 0 0 301.773 3.392 20 10 DGCDRN COc1ncc(/C=C\C(=O)N(CC(C)C)c2ccccc2)cn1 ZINC000775825600 623337733 /nfs/dbraw/zinc/33/77/33/623337733.db2.gz WCOLHAXBBKTEOE-KTKRTIGZSA-N 0 0 311.385 3.188 20 10 DGCDRN C[C@@H](NCc1nc(-c2ccoc2)no1)c1ccc(N(C)C)cc1 ZINC000775834910 623339361 /nfs/dbraw/zinc/33/93/61/623339361.db2.gz VUWRXBSUZAJKFT-GFCCVEGCSA-N 0 0 312.373 3.246 20 10 DGCDRN COc1ncc(/C=C/C(=O)N2CCCCCc3ccccc32)cn1 ZINC000775866834 623343983 /nfs/dbraw/zinc/34/39/83/623343983.db2.gz MFTHOTJAMHDCOW-ZHACJKMWSA-N 0 0 323.396 3.258 20 10 DGCDRN COc1ncc(/C=C\C(=O)N(C)c2ccc(C(C)C)cc2)cn1 ZINC000775875501 623345090 /nfs/dbraw/zinc/34/50/90/623345090.db2.gz CIMZHTFDKKFJCX-YHYXMXQVSA-N 0 0 311.385 3.285 20 10 DGCDRN CCCC[C@H](NCc1ccc(N2CCCCC2)cc1)C(=O)OC ZINC000775980377 623360040 /nfs/dbraw/zinc/36/00/40/623360040.db2.gz QPKCZEAYAYQJBR-SFHVURJKSA-N 0 0 318.461 3.498 20 10 DGCDRN COc1cccc2c1OC[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])C2 ZINC000776172670 623388989 /nfs/dbraw/zinc/38/89/89/623388989.db2.gz SILRFKXYVJLETG-ZDUSSCGKSA-N 0 0 319.788 3.148 20 10 DGCDRN COc1cc(C[NH2+]Cc2cccc(Cl)c2[O-])cc(OC)c1O ZINC000776174417 623390344 /nfs/dbraw/zinc/39/03/44/623390344.db2.gz LYAJMLCPWFNFQG-UHFFFAOYSA-N 0 0 323.776 3.058 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000776175647 623390790 /nfs/dbraw/zinc/39/07/90/623390790.db2.gz WDXFDWWMUHPHNI-AWEZNQCLSA-N 0 0 313.731 3.147 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC1(CO)CCCCC1 ZINC000776232175 623400150 /nfs/dbraw/zinc/40/01/50/623400150.db2.gz SQRADLLFKDSBMO-UHFFFAOYSA-N 0 0 301.789 3.217 20 10 DGCDRN COc1cc(NCc2cccc(C)c2O)ncc1Br ZINC000776256633 623402655 /nfs/dbraw/zinc/40/26/55/623402655.db2.gz RLBDTWSKVUXBRU-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN CCN(C(=O)/C=C/c1cnc(OC)nc1)c1ccccc1Cl ZINC000776304315 623408825 /nfs/dbraw/zinc/40/88/25/623408825.db2.gz UBTJGVBRISTESH-CMDGGOBGSA-N 0 0 317.776 3.205 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)[C@H]3CC[C@@H](C)C3)CC2)cc1 ZINC000776308196 623409918 /nfs/dbraw/zinc/40/99/18/623409918.db2.gz HFCCSSWVPQNOBP-CVEARBPZSA-N 0 0 316.445 3.170 20 10 DGCDRN C[C@H]1CC[C@@H](C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000776339900 623414154 /nfs/dbraw/zinc/41/41/54/623414154.db2.gz RDCSYQVMZYITJE-GOEBONIOSA-N 0 0 318.486 3.292 20 10 DGCDRN CN(c1ccc(CNC(=O)C(C)(C)CO)cc1)C1CCCCC1 ZINC000776342913 623414354 /nfs/dbraw/zinc/41/43/54/623414354.db2.gz LYLQZDXCJCIQGU-UHFFFAOYSA-N 0 0 318.461 3.090 20 10 DGCDRN Cc1ccc2c(c1)CC[C@H]2NC(=O)N1Cc2cccc(O)c2C1 ZINC000875145547 623421311 /nfs/dbraw/zinc/42/13/11/623421311.db2.gz NNMDELYJOQUGPJ-QGZVFWFLSA-N 0 0 308.381 3.413 20 10 DGCDRN C[C@H](Cc1ccc(O)cc1)NC(=O)N[C@@H](C)c1ccccc1O ZINC000875143010 623421458 /nfs/dbraw/zinc/42/14/58/623421458.db2.gz HNRPTCOJEGLQET-OLZOCXBDSA-N 0 0 314.385 3.089 20 10 DGCDRN COc1ccc([C@@H](C)NC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000875177361 623425034 /nfs/dbraw/zinc/42/50/34/623425034.db2.gz BLDADSDZWYPKDV-GFCCVEGCSA-N 0 0 312.369 3.187 20 10 DGCDRN CC(C)CCCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000125324103 623428674 /nfs/dbraw/zinc/42/86/74/623428674.db2.gz LUWSXUJUWSXHHK-UHFFFAOYSA-N 0 0 301.434 3.298 20 10 DGCDRN CCC[C@@H](NC(=O)N1Cc2cccc(O)c2C1)c1ccccn1 ZINC000875236475 623429508 /nfs/dbraw/zinc/42/95/08/623429508.db2.gz UNSBMYBULHPDIF-MRXNPFEDSA-N 0 0 311.385 3.354 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1CCc2c1cccc2O)c1ccccc1O ZINC000875314169 623436716 /nfs/dbraw/zinc/43/67/16/623436716.db2.gz IYJSHOXRVKNHCE-XHDPSFHLSA-N 0 0 312.369 3.146 20 10 DGCDRN COc1ccc2c(c1)N(Cc1cc(F)ccc1O)C[C@H](C)O2 ZINC000776523110 623437680 /nfs/dbraw/zinc/43/76/80/623437680.db2.gz HZUVTZILTDNHMP-NSHDSACASA-N 0 0 303.333 3.327 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H](c2cccnc2)C2CC2)c1 ZINC000875432020 623450100 /nfs/dbraw/zinc/45/01/00/623450100.db2.gz QOQSOWVAFHTBMH-KRWDZBQOSA-N 0 0 311.385 3.046 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H](c1cccnc1)C1CC1)c1ccccc1O ZINC000875432617 623450126 /nfs/dbraw/zinc/45/01/26/623450126.db2.gz VYCHDXXIDGVRIJ-SJKOYZFVSA-N 0 0 311.385 3.299 20 10 DGCDRN C[C@]1(CCNC(=O)N2Cc3cccc(O)c3C2)C[C@]1(F)Cl ZINC000875693567 623481475 /nfs/dbraw/zinc/48/14/75/623481475.db2.gz ZHNUSAQPGPUTDQ-LSDHHAIUSA-N 0 0 312.772 3.122 20 10 DGCDRN C[C@@H](NC(=O)N1Cc2cccc(O)c2C1)C1CCC(F)CC1 ZINC000875748074 623487872 /nfs/dbraw/zinc/48/78/72/623487872.db2.gz WHYSKWSYWLLAOZ-LKSINWNRSA-N 0 0 306.381 3.334 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@H](C3CC3)C2)cc1 ZINC000777194868 623504304 /nfs/dbraw/zinc/50/43/04/623504304.db2.gz CAEMQXDBHBELCO-IBGZPJMESA-N 0 0 324.424 3.345 20 10 DGCDRN CCCc1nc(C)c(NC(=O)c2ccc(C)c(O)c2O)s1 ZINC000777399070 623520671 /nfs/dbraw/zinc/52/06/71/623520671.db2.gz MXUPXUSZHWWHCJ-UHFFFAOYSA-N 0 0 306.387 3.376 20 10 DGCDRN CCOc1cc(C[NH2+]Cc2cccc(Cl)c2[O-])ccc1O ZINC000777479398 623530242 /nfs/dbraw/zinc/53/02/42/623530242.db2.gz MEJQYWPFCFPRJG-UHFFFAOYSA-N 0 0 307.777 3.440 20 10 DGCDRN Cc1cc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)no1 ZINC000777505601 623533173 /nfs/dbraw/zinc/53/31/73/623533173.db2.gz SSTOXPGZYIUSCS-UHFFFAOYSA-N 0 0 316.361 3.494 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NOC2CCCCC2)c1 ZINC000777718313 623560002 /nfs/dbraw/zinc/56/00/02/623560002.db2.gz XRZWOOWTVRWKGO-NSHDSACASA-N 0 0 308.378 3.025 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Cc2ccc(Cl)c(F)c2)cc1 ZINC000790482659 625659801 /nfs/dbraw/zinc/65/98/01/625659801.db2.gz MRXYGFZSNDXJSJ-UHFFFAOYSA-N 0 0 320.795 3.404 20 10 DGCDRN Cc1ccc(/C=C\C(=O)NCc2ccc3c(c2)CCCN3C)cn1 ZINC000777852672 623575764 /nfs/dbraw/zinc/57/57/64/623575764.db2.gz FQQRKGMTYFBBGK-NTMALXAHSA-N 0 0 321.424 3.102 20 10 DGCDRN CC[C@H]([NH2+]CC[C@@H](C)[S@](C)=O)c1cccc(Cl)c1[O-] ZINC000806147982 623614607 /nfs/dbraw/zinc/61/46/07/623614607.db2.gz BRPSNXCNBWVZDV-KRDDEPHXSA-N 0 0 303.855 3.243 20 10 DGCDRN CC(C)(C(=O)NCc1ccc(N2CCCC2)cc1)c1cccnc1 ZINC000778230542 623629541 /nfs/dbraw/zinc/62/95/41/623629541.db2.gz CBJBQTACFIQGLP-UHFFFAOYSA-N 0 0 323.440 3.276 20 10 DGCDRN Cc1cc(C(=O)NC(C)(C)CO)c(C)n1-c1cc(C)cc(C)c1 ZINC000778395773 623652303 /nfs/dbraw/zinc/65/23/03/623652303.db2.gz TVOQIBHSOXMZSS-UHFFFAOYSA-N 0 0 314.429 3.212 20 10 DGCDRN [O-]c1c(F)c(F)ccc1C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000876635601 623665995 /nfs/dbraw/zinc/66/59/95/623665995.db2.gz ZHWWRDJBZFNVHB-AWEZNQCLSA-N 0 0 323.339 3.445 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CC=CCC2)cc1F ZINC000778660691 623680708 /nfs/dbraw/zinc/68/07/08/623680708.db2.gz NUCGRGIGDUNHIC-UHFFFAOYSA-N 0 0 305.397 3.143 20 10 DGCDRN Cc1nc2sccn2c1C[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876682511 623680926 /nfs/dbraw/zinc/68/09/26/623680926.db2.gz LGOWUXTXXXRZDT-UHFFFAOYSA-N 0 0 323.368 3.320 20 10 DGCDRN CCOc1cc(Cl)ccc1C(=O)NCc1ccccc1O ZINC000778914505 623711384 /nfs/dbraw/zinc/71/13/84/623711384.db2.gz OVBZJJUMPJVLNX-UHFFFAOYSA-N 0 0 305.761 3.374 20 10 DGCDRN CCSc1cccc(C(=O)NCc2ccc(O)c(O)c2)c1 ZINC000778921440 623712108 /nfs/dbraw/zinc/71/21/08/623712108.db2.gz AXCMHXNHCSHGAA-UHFFFAOYSA-N 0 0 303.383 3.140 20 10 DGCDRN CC(C)[C@@H](C(=O)NCc1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000778927251 623712774 /nfs/dbraw/zinc/71/27/74/623712774.db2.gz NCHBXQJAUOBIIE-QGZVFWFLSA-N 0 0 317.360 3.293 20 10 DGCDRN Cc1cccc(O)c1CNc1ccc(N2C(=O)CCCC2=O)cc1 ZINC000876846106 623727023 /nfs/dbraw/zinc/72/70/23/623727023.db2.gz NHBVLHUTPOLZJB-UHFFFAOYSA-N 0 0 324.380 3.356 20 10 DGCDRN CCOC[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000779070969 623727506 /nfs/dbraw/zinc/72/75/06/623727506.db2.gz CEBKWMTYPAIVBE-DTWKUNHWSA-N 0 0 320.202 3.369 20 10 DGCDRN COCCOc1ccc(F)cc1NCc1c(C)cccc1O ZINC000876852553 623728054 /nfs/dbraw/zinc/72/80/54/623728054.db2.gz YIDOSVLKXKTSKU-UHFFFAOYSA-N 0 0 305.349 3.477 20 10 DGCDRN Cc1cccc2c1C[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)N2 ZINC000876872944 623733351 /nfs/dbraw/zinc/73/33/51/623733351.db2.gz QZFSNWUIBJFGBY-IBGZPJMESA-N 0 0 323.440 3.056 20 10 DGCDRN Oc1cc2c(cc1CN1CCN(C3CC3)c3ccccc31)OCO2 ZINC000779225302 623743751 /nfs/dbraw/zinc/74/37/51/623743751.db2.gz OJGASZJFDLHSPV-UHFFFAOYSA-N 0 0 324.380 3.110 20 10 DGCDRN CCOCc1ccc(C[NH2+]Cc2ccc(F)c(F)c2[O-])cc1 ZINC000876927134 623745567 /nfs/dbraw/zinc/74/55/67/623745567.db2.gz RWKVYAQTGWMCAN-UHFFFAOYSA-N 0 0 307.340 3.497 20 10 DGCDRN COc1cccc2c1N(C(=O)/C=C\c1ccc(C)nc1)CCC2 ZINC000779471085 623773558 /nfs/dbraw/zinc/77/35/58/623773558.db2.gz ALLRBTXMRJCWIC-KHPPLWFESA-N 0 0 308.381 3.391 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1nc2ccccc2s1 ZINC000779488017 623774251 /nfs/dbraw/zinc/77/42/51/623774251.db2.gz ACJGDWVOXCDEEW-SOFGYWHQSA-N 0 0 312.350 3.359 20 10 DGCDRN Cc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)s1 ZINC000779501213 623775106 /nfs/dbraw/zinc/77/51/06/623775106.db2.gz VANIYKSBIUTLOF-AYLMVEPYSA-N 0 0 303.383 3.358 20 10 DGCDRN CC(C)N(Cc1ccco1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779504555 623775774 /nfs/dbraw/zinc/77/57/74/623775774.db2.gz AYWRHYCZJSLEQV-VURMDHGXSA-N 0 0 301.342 3.141 20 10 DGCDRN CCN(CCc1cccs1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779502471 623776054 /nfs/dbraw/zinc/77/60/54/623776054.db2.gz ZIQQRGMCYNMPDN-VURMDHGXSA-N 0 0 317.410 3.264 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCCCc2ccccc21 ZINC000779512226 623776102 /nfs/dbraw/zinc/77/61/02/623776102.db2.gz OVZLICVTWNKHNA-LUAWRHEFSA-N 0 0 309.365 3.481 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CSc2ccccc21 ZINC000779517442 623776791 /nfs/dbraw/zinc/77/67/91/623776791.db2.gz BDNWEWGZKDKFAN-FWPCIQOSSA-N 0 0 313.378 3.074 20 10 DGCDRN C[C@@H]1Cc2ccccc2N(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000779516819 623776865 /nfs/dbraw/zinc/77/68/65/623776865.db2.gz ZJVZLEMHBVUWKR-FNOHHLHBSA-N 0 0 309.365 3.336 20 10 DGCDRN CC(C)(C)[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(F)(F)F ZINC000779525780 623777481 /nfs/dbraw/zinc/77/74/81/623777481.db2.gz RTDMYVMNBMFVTN-VUDGCMKMSA-N 0 0 317.307 3.204 20 10 DGCDRN CC(C)C1CCC(NC(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000779530833 623777578 /nfs/dbraw/zinc/77/75/78/623777578.db2.gz ATXZCDFQZOCIBG-WMZJFQQLSA-N 0 0 303.402 3.442 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N(CC(F)F)CC1CCC1 ZINC000779539719 623777874 /nfs/dbraw/zinc/77/78/74/623777874.db2.gz KDALKWGHRITOLP-FNORWQNLSA-N 0 0 311.328 3.005 20 10 DGCDRN CC1(C)c2ccccc2CCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779544738 623778188 /nfs/dbraw/zinc/77/81/88/623778188.db2.gz NOENQLQFSQBPKC-NTMALXAHSA-N 0 0 323.392 3.431 20 10 DGCDRN COC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877075744 623785311 /nfs/dbraw/zinc/78/53/11/623785311.db2.gz GRWBFOODNOPMFA-AWEZNQCLSA-N 0 0 307.340 3.018 20 10 DGCDRN CCCOc1cc(OC)ccc1C(=O)N(C)c1ccc(N)cc1 ZINC000877076764 623785317 /nfs/dbraw/zinc/78/53/17/623785317.db2.gz VFZKXSCDPBZKBD-UHFFFAOYSA-N 0 0 314.385 3.343 20 10 DGCDRN C[C@H](NC(=O)N1CC2(C1)CCCC2)c1ccc(N(C)C)cc1 ZINC000779659627 623785507 /nfs/dbraw/zinc/78/55/07/623785507.db2.gz CPOGTAGATMHZHR-AWEZNQCLSA-N 0 0 301.434 3.399 20 10 DGCDRN COc1cc(N(C)Cc2ccc(C)cc2O)cc(OC)c1OC ZINC000877180166 623819775 /nfs/dbraw/zinc/81/97/75/623819775.db2.gz OXZGYNXOKRTSIW-UHFFFAOYSA-N 0 0 317.385 3.363 20 10 DGCDRN Nc1ccc(CC(=O)N2CCC[C@](F)(c3ccccc3)C2)cc1 ZINC000877234621 623833177 /nfs/dbraw/zinc/83/31/77/623833177.db2.gz XWJQYVNWDPLVLP-LJQANCHMSA-N 0 0 312.388 3.299 20 10 DGCDRN COC1(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)CCC1 ZINC000780088253 623859306 /nfs/dbraw/zinc/85/93/06/623859306.db2.gz IIUYRLVJYRZQNA-UHFFFAOYSA-N 0 0 312.413 3.393 20 10 DGCDRN Cc1cc(O)c(CNc2ccc3ccn(C)c(=O)c3c2)cc1C ZINC000790638212 625682132 /nfs/dbraw/zinc/68/21/32/625682132.db2.gz UQLCYEFQKYMCMI-UHFFFAOYSA-N 0 0 308.381 3.473 20 10 DGCDRN [O-]c1c(Br)cccc1C[NH2+]Cc1cc(C2CC2)no1 ZINC000877479054 623902138 /nfs/dbraw/zinc/90/21/38/623902138.db2.gz QSDFCJWESUHDAN-UHFFFAOYSA-N 0 0 323.190 3.310 20 10 DGCDRN Cc1cc(O)ccc1NS(=O)(=O)c1cccc(C(F)F)c1 ZINC000780389601 623921378 /nfs/dbraw/zinc/92/13/78/623921378.db2.gz QFRUIHRACVMQRF-UHFFFAOYSA-N 0 0 313.325 3.439 20 10 DGCDRN CC[C@H](COCC(F)(F)F)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877559417 623940962 /nfs/dbraw/zinc/94/09/62/623940962.db2.gz MRYBDYJVJYBCAS-SECBINFHSA-N 0 0 313.266 3.118 20 10 DGCDRN [O-]c1c(C[N@H+]2CC[C@H](c3ccc(O)cc3)C2)ccc(F)c1F ZINC000877660210 623980828 /nfs/dbraw/zinc/98/08/28/623980828.db2.gz JSDDCMKXFGYQKQ-LBPRGKRZSA-N 0 0 305.324 3.366 20 10 DGCDRN C[C@H]1CC[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000780784143 623983856 /nfs/dbraw/zinc/98/38/56/623983856.db2.gz JRXHNJYXHWQNKT-JSGCOSHPSA-N 0 0 302.418 3.259 20 10 DGCDRN CC[C@@](NCc1cc(F)ccc1O)(C(=O)OC)c1ccccc1 ZINC000877676582 623988330 /nfs/dbraw/zinc/98/83/30/623988330.db2.gz YRCBZWZTGBSTGI-SFHVURJKSA-N 0 0 317.360 3.099 20 10 DGCDRN Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c1O ZINC000877681436 623988858 /nfs/dbraw/zinc/98/88/58/623988858.db2.gz GSUCWMMJAZIOPK-GBIKHYSHSA-N 0 0 314.223 3.119 20 10 DGCDRN CCOc1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1OC ZINC000780854879 623990583 /nfs/dbraw/zinc/99/05/83/623990583.db2.gz IYJWASJZWYVQQE-UHFFFAOYSA-N 0 0 317.341 3.066 20 10 DGCDRN CCCOc1cccc(NC(=O)c2ccc(C)c(O)c2O)c1 ZINC000780882632 623993433 /nfs/dbraw/zinc/99/34/33/623993433.db2.gz KBNOVFAXMHXVQY-UHFFFAOYSA-N 0 0 301.342 3.447 20 10 DGCDRN COc1cc(CN2Cc3cccc(O)c3C2)c(Cl)cc1O ZINC000877702891 623997649 /nfs/dbraw/zinc/99/76/49/623997649.db2.gz IZEGTGAQRNRTKX-UHFFFAOYSA-N 0 0 305.761 3.276 20 10 DGCDRN Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3C)C2)c(O)c1O ZINC000780919483 623997868 /nfs/dbraw/zinc/99/78/68/623997868.db2.gz JJAZKCWNGHKRPV-CQSZACIVSA-N 0 0 311.381 3.344 20 10 DGCDRN COCc1cc(NCc2cc(OC)ccc2O)ccc1OC ZINC000877703123 623998500 /nfs/dbraw/zinc/99/85/00/623998500.db2.gz SCWDJPYQXOQJSH-UHFFFAOYSA-N 0 0 303.358 3.168 20 10 DGCDRN Cc1ccc(C(=O)NC2CC(C)(c3ccccc3)C2)c(O)c1O ZINC000780934062 624000904 /nfs/dbraw/zinc/00/09/04/624000904.db2.gz UAPVLIAFFCBCCX-UHFFFAOYSA-N 0 0 311.381 3.256 20 10 DGCDRN Cc1ccc(C(=O)N2CCc3cccc(F)c3[C@@H]2C)c(O)c1O ZINC000780947015 624001760 /nfs/dbraw/zinc/00/17/60/624001760.db2.gz HUVRTTZIAQQDEE-NSHDSACASA-N 0 0 315.344 3.305 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNCc1nn(C)cc1C(F)F ZINC000877732470 624007443 /nfs/dbraw/zinc/00/74/43/624007443.db2.gz GDYCOXUMVXRPKS-UHFFFAOYSA-N 0 0 308.376 3.022 20 10 DGCDRN Cc1cc(C(=O)N2CC(F)(F)C2)c(C)n1-c1ccc(F)cc1 ZINC000781063904 624016888 /nfs/dbraw/zinc/01/68/88/624016888.db2.gz UBEORGWHDKUBCQ-UHFFFAOYSA-N 0 0 308.303 3.324 20 10 DGCDRN Cc1ccc(N2C(=O)/C(=C\c3cncnc3)SC2=S)cc1 ZINC000781107104 624023640 /nfs/dbraw/zinc/02/36/40/624023640.db2.gz PQCZABQXMFZFIH-AWNIVKPZSA-N 0 0 313.407 3.191 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(C)cc(C)n2)c1 ZINC000126750213 624065097 /nfs/dbraw/zinc/06/50/97/624065097.db2.gz HPZPCJIYINXPEN-LBPRGKRZSA-N 0 0 315.373 3.295 20 10 DGCDRN Cc1cccc2c1N[C@@H](c1cc(F)c(N(C)C)cc1F)NC2=O ZINC000877845716 624067148 /nfs/dbraw/zinc/06/71/48/624067148.db2.gz KUGMGAWXLCVRQS-MRXNPFEDSA-N 0 0 317.339 3.193 20 10 DGCDRN Cc1cc(C)cc(-n2ncc(CN(C)Cc3ccccc3O)n2)c1 ZINC000781436398 624070908 /nfs/dbraw/zinc/07/09/08/624070908.db2.gz IVSOVZLFXJJMBB-UHFFFAOYSA-N 0 0 322.412 3.222 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000781531391 624087850 /nfs/dbraw/zinc/08/78/50/624087850.db2.gz AMRLATAGVOJMRG-SNVBAGLBSA-N 0 0 309.715 3.388 20 10 DGCDRN COc1ccc2c(c1)CCCN2C[C@@H]1CCC2(CCOCC2)O1 ZINC000877944832 624104252 /nfs/dbraw/zinc/10/42/52/624104252.db2.gz UOTKGCOMIVZSEW-KRWDZBQOSA-N 0 0 317.429 3.176 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+]CCOC2CCC2)c1 ZINC000781631384 624110114 /nfs/dbraw/zinc/11/01/14/624110114.db2.gz IWSUCCAPVFSKHS-UHFFFAOYSA-N 0 0 314.223 3.122 20 10 DGCDRN CCC(CC)(CO)[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000781631090 624110263 /nfs/dbraw/zinc/11/02/63/624110263.db2.gz HFHXKGLBHQXLJF-UHFFFAOYSA-N 0 0 316.239 3.104 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cncc2[nH]ccc21 ZINC000878009143 624133645 /nfs/dbraw/zinc/13/36/45/624133645.db2.gz TVWRFDUYJPXDOW-UHFFFAOYSA-N 0 0 322.412 3.291 20 10 DGCDRN CCCNC(=O)CN(C)c1ccc(OCc2ccccc2)cc1 ZINC000781963578 624180136 /nfs/dbraw/zinc/18/01/36/624180136.db2.gz KTFDUOTYJFIXMK-UHFFFAOYSA-N 0 0 312.413 3.228 20 10 DGCDRN COc1ccc(N(C)CC(=O)Nc2ncccc2C)cc1Cl ZINC000878187389 624206921 /nfs/dbraw/zinc/20/69/21/624206921.db2.gz YCDLEZNQDFCRSR-UHFFFAOYSA-N 0 0 319.792 3.127 20 10 DGCDRN COc1ccc(N(CC(=O)Nc2ccccn2)C(C)C)cc1F ZINC000878231529 624222147 /nfs/dbraw/zinc/22/21/47/624222147.db2.gz DNJUTLAWJBWOPS-UHFFFAOYSA-N 0 0 317.364 3.083 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)Cc2cncs2)cc1 ZINC000782226631 624223779 /nfs/dbraw/zinc/22/37/79/624223779.db2.gz JRWBTFRZJUAZAH-UHFFFAOYSA-N 0 0 317.458 3.190 20 10 DGCDRN O=C(OCc1ccc([N+](=O)[O-])cc1Cl)C1=CC(=O)CS1 ZINC000782335379 624241388 /nfs/dbraw/zinc/24/13/88/624241388.db2.gz UWUAGKMCDMQBQI-UHFFFAOYSA-N 0 0 313.718 3.372 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1nc2c(o1)CCCC2 ZINC000878319161 624244378 /nfs/dbraw/zinc/24/43/78/624244378.db2.gz LLXBVAJCCYXRCL-UHFFFAOYSA-N 0 0 313.401 3.018 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000782658721 624271310 /nfs/dbraw/zinc/27/13/10/624271310.db2.gz MXXFFVQASQSMOZ-UHFFFAOYSA-N 0 0 311.385 3.330 20 10 DGCDRN C[C@H](NCc1nccn1CC(F)F)c1ccc(N(C)C)cc1 ZINC000878454998 624282498 /nfs/dbraw/zinc/28/24/98/624282498.db2.gz MKBKHGCDYGTDDV-LBPRGKRZSA-N 0 0 308.376 3.065 20 10 DGCDRN COc1c(N[C@H](C)c2ccc(N(C)C)cc2)cccc1C(N)=O ZINC000782785495 624282537 /nfs/dbraw/zinc/28/25/37/624282537.db2.gz YQHTZLUHGQVSJL-GFCCVEGCSA-N 0 0 313.401 3.033 20 10 DGCDRN COc1c(N[C@@H](C)c2ccc(N(C)C)cc2)cccc1C(N)=O ZINC000782785498 624282627 /nfs/dbraw/zinc/28/26/27/624282627.db2.gz YQHTZLUHGQVSJL-LBPRGKRZSA-N 0 0 313.401 3.033 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCCCS1 ZINC000783036803 624303045 /nfs/dbraw/zinc/30/30/45/624303045.db2.gz CQWUJWONGDYIRP-MRXNPFEDSA-N 0 0 304.459 3.189 20 10 DGCDRN C[C@@H](c1ccccc1)n1ccc(NC(=O)c2cccc(O)c2O)n1 ZINC000790882963 625712056 /nfs/dbraw/zinc/71/20/56/625712056.db2.gz TZRBGRVHPPSDTB-LBPRGKRZSA-N 0 0 323.352 3.156 20 10 DGCDRN COc1ccc(N(C)Cc2c(C)cc(C)nc2OC)cc1F ZINC000805743107 624321669 /nfs/dbraw/zinc/32/16/69/624321669.db2.gz QENYWNZXEUEWOV-UHFFFAOYSA-N 0 0 304.365 3.491 20 10 DGCDRN CCOC(=O)CC(C)(C)CCN(C)c1ccc2c(c1)OCO2 ZINC000805747372 624364812 /nfs/dbraw/zinc/36/48/12/624364812.db2.gz BPVOKKLSPHONEB-UHFFFAOYSA-N 0 0 307.390 3.221 20 10 DGCDRN C[C@@H](OC(=O)C1=CC(=O)CS1)c1noc(-c2ccccc2)n1 ZINC000783607630 624374091 /nfs/dbraw/zinc/37/40/91/624374091.db2.gz JHJPNYAOSKUMGX-SECBINFHSA-N 0 0 316.338 3.422 20 10 DGCDRN O=C(N[C@H]1CC[C@H](Cc2ccccc2)C1)c1cccc(O)c1O ZINC000783852937 624400703 /nfs/dbraw/zinc/40/07/03/624400703.db2.gz YGELKWWMBRQPME-CABCVRRESA-N 0 0 311.381 3.239 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cnc(C2CC2)o1 ZINC000878986781 624402164 /nfs/dbraw/zinc/40/21/64/624402164.db2.gz XQRCIQDELZVDTG-UHFFFAOYSA-N 0 0 312.369 3.066 20 10 DGCDRN Cc1ccncc1/C=C\C(=O)N1CCN(C)c2ccc(F)cc21 ZINC000784050077 624428024 /nfs/dbraw/zinc/42/80/24/624428024.db2.gz OAEKVWXDFASSPZ-UTCJRWHESA-N 0 0 311.360 3.025 20 10 DGCDRN CCOc1ccc(N(CC2CC2)C[C@H]2CC3(CC3)C(=O)O2)cc1 ZINC000879117638 624431157 /nfs/dbraw/zinc/43/11/57/624431157.db2.gz YOUJXKKLIVXSBX-QGZVFWFLSA-N 0 0 315.413 3.397 20 10 DGCDRN CC(C)CC1(C(=O)OCC(=O)c2ccc(O)c(O)c2)CCC1 ZINC000784101316 624437939 /nfs/dbraw/zinc/43/79/39/624437939.db2.gz ALVFFRAUIBOIHS-UHFFFAOYSA-N 0 0 306.358 3.040 20 10 DGCDRN Cc1ccncc1/C=C\C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000784106248 624438539 /nfs/dbraw/zinc/43/85/39/624438539.db2.gz LZNSYKWSFQTDIM-ARJAWSKDSA-N 0 0 323.352 3.209 20 10 DGCDRN C[C@H](NC(=O)Nc1cnn([C@@H](C)C2CC2)c1)c1ccccc1O ZINC000879296246 624489669 /nfs/dbraw/zinc/48/96/69/624489669.db2.gz IKWWUNGDHRQPSL-RYUDHWBXSA-N 0 0 314.389 3.442 20 10 DGCDRN COc1cccc([C@@H](C)OC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000784285805 624480806 /nfs/dbraw/zinc/48/08/06/624480806.db2.gz DSHXJAMGVRABTD-ZVTBTPLYSA-N 0 0 314.337 3.424 20 10 DGCDRN CC1(C)CCCC[C@@H]1CC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784336492 624503745 /nfs/dbraw/zinc/50/37/45/624503745.db2.gz FAYKZQHHGZDGKR-CYBMUJFWSA-N 0 0 320.385 3.430 20 10 DGCDRN CC(C)[C@H]1CC[C@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)CC1 ZINC000784349514 624507472 /nfs/dbraw/zinc/50/74/72/624507472.db2.gz FCGSPIQRHWDDSW-JOCQHMNTSA-N 0 0 320.385 3.286 20 10 DGCDRN COC1CCN(c2ccc(CN3CCCCCO3)cc2)CC1 ZINC000879512636 624574786 /nfs/dbraw/zinc/57/47/86/624574786.db2.gz SIPOZZMVZGXYDD-UHFFFAOYSA-N 0 0 304.434 3.219 20 10 DGCDRN C[C@H](NCc1ncsc1Br)c1ccccc1O ZINC000879650151 624622689 /nfs/dbraw/zinc/62/26/89/624622689.db2.gz MDRMXZIHSDNEGT-QMMMGPOBSA-N 0 0 313.220 3.462 20 10 DGCDRN Cc1ccc(C(=O)OCCCCC(=O)OC(C)(C)C)c(O)c1O ZINC000785271781 624647888 /nfs/dbraw/zinc/64/78/88/624647888.db2.gz GOCQEBLTJAVSTR-UHFFFAOYSA-N 0 0 324.373 3.075 20 10 DGCDRN CC[C@]1(C)CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000785585953 624691922 /nfs/dbraw/zinc/69/19/22/624691922.db2.gz SQQLQOWJIUELFM-KBXCAEBGSA-N 0 0 319.449 3.024 20 10 DGCDRN COc1ccc(CNC(=O)CC(C)(C)CC(F)(F)F)c(O)c1 ZINC000879847091 624702370 /nfs/dbraw/zinc/70/23/70/624702370.db2.gz UOLRXXUTJLQNRE-UHFFFAOYSA-N 0 0 319.323 3.386 20 10 DGCDRN CC[C@]1(C)Oc2ccc(NC(=O)c3cccc(O)c3O)cc2O1 ZINC000785670075 624709892 /nfs/dbraw/zinc/70/98/92/624709892.db2.gz LBPRLPDHENBOPX-QGZVFWFLSA-N 0 0 315.325 3.248 20 10 DGCDRN Cc1cccc(C[C@@H](CO)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000786574821 624923683 /nfs/dbraw/zinc/92/36/83/624923683.db2.gz GHFLOTRIPIAMNS-WFASDCNBSA-N 0 0 321.367 3.233 20 10 DGCDRN CO[C@H](CC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C(F)(F)F ZINC000786955402 624967494 /nfs/dbraw/zinc/96/74/94/624967494.db2.gz ZJXSQHWRXHFKSZ-WRWORJQWSA-N 0 0 313.266 3.288 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000786998718 624970596 /nfs/dbraw/zinc/97/05/96/624970596.db2.gz DZPGZOLKJJGWBZ-FVQHAEBGSA-N 0 0 301.434 3.131 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(F)c(Cl)c1 ZINC000128500779 624979716 /nfs/dbraw/zinc/97/97/16/624979716.db2.gz HACGAMVZAWDPLX-UHFFFAOYSA-N 0 0 324.739 3.255 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C(C)(C)c2cccc(F)c2)cc1 ZINC000128503246 624980875 /nfs/dbraw/zinc/98/08/75/624980875.db2.gz MFYRMHLAIXRPOO-UHFFFAOYSA-N 0 0 314.404 3.486 20 10 DGCDRN COc1ccc2c(c1)CCCN2CCOCC(F)(F)C(F)F ZINC000787163222 624984766 /nfs/dbraw/zinc/98/47/66/624984766.db2.gz ULLAKHAGZBUIQP-UHFFFAOYSA-N 0 0 321.314 3.365 20 10 DGCDRN Oc1ccc(Cl)c(F)c1CNc1nnc(C(F)(F)F)o1 ZINC000787788686 625052016 /nfs/dbraw/zinc/05/20/16/625052016.db2.gz BQZSERLGWMOLNM-UHFFFAOYSA-N 0 0 311.622 3.199 20 10 DGCDRN Cc1cc(C(=O)NCCc2cnoc2)c(C)n1-c1ccccc1C ZINC000880796294 625058353 /nfs/dbraw/zinc/05/83/53/625058353.db2.gz APBHKHXWRMAMJF-UHFFFAOYSA-N 0 0 323.396 3.363 20 10 DGCDRN CSc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000128639822 625059545 /nfs/dbraw/zinc/05/95/45/625059545.db2.gz ODWQZQHXZNMQPF-UHFFFAOYSA-N 0 0 318.398 3.184 20 10 DGCDRN COC(=O)c1cc([N+](=O)[O-])c(C)cc1Sc1nccs1 ZINC000787895971 625070927 /nfs/dbraw/zinc/07/09/27/625070927.db2.gz BDSVPHWABMUNER-UHFFFAOYSA-N 0 0 310.356 3.298 20 10 DGCDRN CCOCCC1(C(=O)N[C@@H](C)c2cc(OC)ccc2O)CCC1 ZINC000128657292 625074767 /nfs/dbraw/zinc/07/47/67/625074767.db2.gz LIXWIYAPIURXBO-ZDUSSCGKSA-N 0 0 321.417 3.175 20 10 DGCDRN C[C@H]([NH2+]CCc1cncn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000788258907 625108326 /nfs/dbraw/zinc/10/83/26/625108326.db2.gz ZDXVRHWHTMLJTR-VIFPVBQESA-N 0 0 314.216 3.326 20 10 DGCDRN COC(=O)c1cc(NCc2c(O)cccc2OC)c(C)cc1C ZINC000788268810 625111010 /nfs/dbraw/zinc/11/10/10/625111010.db2.gz IJOZNURCMNNAMP-UHFFFAOYSA-N 0 0 315.369 3.416 20 10 DGCDRN CN(Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc2c(c1)OCO2 ZINC000788486489 625195648 /nfs/dbraw/zinc/19/56/48/625195648.db2.gz YFXYTFOVFZXDQX-UHFFFAOYSA-N 0 0 304.277 3.099 20 10 DGCDRN C[C@H](Cn1cccn1)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788646174 625235440 /nfs/dbraw/zinc/23/54/40/625235440.db2.gz BKDRZJFGDLXNQG-MNOVXSKESA-N 0 0 313.323 3.347 20 10 DGCDRN C/C=C\C[C@H](CO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788756233 625259344 /nfs/dbraw/zinc/25/93/44/625259344.db2.gz VPDNRTVSSDMBPT-CBZSPVTBSA-N 0 0 303.324 3.389 20 10 DGCDRN C[C@@H](NC(=O)Nc1nn(C)cc1Cl)c1ccc(N(C)C)cc1 ZINC000881176514 625270060 /nfs/dbraw/zinc/27/00/60/625270060.db2.gz DKRPQKPPCNHOCZ-SNVBAGLBSA-N 0 0 321.812 3.022 20 10 DGCDRN CCOC[C@@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000788834732 625278307 /nfs/dbraw/zinc/27/83/07/625278307.db2.gz YCHKGLAAEASJPN-WMLDXEAASA-N 0 0 321.465 3.174 20 10 DGCDRN CCOc1ccc(NC(=O)c2cccc(O)c2O)c2ncccc12 ZINC000790937940 625719060 /nfs/dbraw/zinc/71/90/60/625719060.db2.gz IWLQCUJDELVHHU-UHFFFAOYSA-N 0 0 324.336 3.297 20 10 DGCDRN C[C@H]1CCCN(CC[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000790950327 625720056 /nfs/dbraw/zinc/72/00/56/625720056.db2.gz VWFFTJPEFTYLKL-NSHDSACASA-N 0 0 300.805 3.006 20 10 DGCDRN CC(C)[C@@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)N1CCCC1 ZINC000790950213 625720783 /nfs/dbraw/zinc/72/07/83/625720783.db2.gz MWPZGATVSVHHII-CQSZACIVSA-N 0 0 314.832 3.395 20 10 DGCDRN C[C@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)N1CCC(C)CC1 ZINC000790962790 625723230 /nfs/dbraw/zinc/72/32/30/625723230.db2.gz SCCKINTYZWCJFG-GFCCVEGCSA-N 0 0 314.832 3.395 20 10 DGCDRN C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790966412 625724502 /nfs/dbraw/zinc/72/45/02/625724502.db2.gz OJGXXLPPQSDWMW-XHDPSFHLSA-N 0 0 323.795 3.439 20 10 DGCDRN CCOC1(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCCC1 ZINC000790968802 625725630 /nfs/dbraw/zinc/72/56/30/625725630.db2.gz OOLRVOVUESLMRW-AWEZNQCLSA-N 0 0 304.434 3.279 20 10 DGCDRN CC(C)[C@@H]1C[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CCO1 ZINC000790982726 625730209 /nfs/dbraw/zinc/73/02/09/625730209.db2.gz XNACOSFLAXEYFG-HZMBPMFUSA-N 0 0 301.789 3.478 20 10 DGCDRN O=C(NCc1cc(F)c(Cl)cc1F)C1=CC(=O)CS1 ZINC000791032411 625742844 /nfs/dbraw/zinc/74/28/44/625742844.db2.gz HYGWLNAGHABKSG-UHFFFAOYSA-N 0 0 303.717 3.315 20 10 DGCDRN CN(C)[C@@H]1CCOc2c(NC(=O)C3=CC(=O)CS3)cccc21 ZINC000791039751 625743777 /nfs/dbraw/zinc/74/37/77/625743777.db2.gz XTBMXACUGVOELL-CYBMUJFWSA-N 0 0 318.398 3.091 20 10 DGCDRN Cc1cc(O)ccc1NS(=O)(=O)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000882706750 625794005 /nfs/dbraw/zinc/79/40/05/625794005.db2.gz ZGXNAYKRMNYEQW-GOEBONIOSA-N 0 0 321.373 3.138 20 10 DGCDRN Cc1cc(O)ccc1NS(=O)(=O)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000882706749 625794041 /nfs/dbraw/zinc/79/40/41/625794041.db2.gz ZGXNAYKRMNYEQW-GDBMZVCRSA-N 0 0 321.373 3.138 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)O[C@@H](C3CC3)C2)c1O ZINC000791560428 625824899 /nfs/dbraw/zinc/82/48/99/625824899.db2.gz VYBPPLHZWBLOOR-QLJPJBMISA-N 0 0 323.820 3.248 20 10 DGCDRN Cc1nc2c(cccc2C(=O)NCc2ccc(N(C)C)cc2C)o1 ZINC000791592510 625831973 /nfs/dbraw/zinc/83/19/73/625831973.db2.gz GAAQZPNZFZZRCO-UHFFFAOYSA-N 0 0 323.396 3.441 20 10 DGCDRN CN1CCc2cc([C@H]3Nc4ccc(Cl)cc4C(=O)N3)ccc21 ZINC000130268533 625832798 /nfs/dbraw/zinc/83/27/98/625832798.db2.gz XQVZUULUEKTBFT-INIZCTEOSA-N 0 0 313.788 3.186 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccc2c(c1)OCCO2 ZINC000882880570 625842261 /nfs/dbraw/zinc/84/22/61/625842261.db2.gz YPWDZNMJYKAKLD-SNVBAGLBSA-N 0 0 321.323 3.292 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000882879032 625842320 /nfs/dbraw/zinc/84/23/20/625842320.db2.gz DKBVLMIAMFLGRE-OAHLLOKOSA-N 0 0 322.355 3.190 20 10 DGCDRN CN(C)[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000882879853 625842427 /nfs/dbraw/zinc/84/24/27/625842427.db2.gz PYFYTAWRMQWJJD-MRXNPFEDSA-N 0 0 306.356 3.063 20 10 DGCDRN COc1cccc(CC[NH2+]Cc2cc(F)cc(F)c2[O-])c1OC ZINC000882902562 625852133 /nfs/dbraw/zinc/85/21/33/625852133.db2.gz JHVXLCDSTTWGKP-UHFFFAOYSA-N 0 0 323.339 3.020 20 10 DGCDRN CCc1ccc([C@@H](COC)[NH2+]Cc2cc(F)cc(F)c2[O-])o1 ZINC000883017798 625899141 /nfs/dbraw/zinc/89/91/41/625899141.db2.gz BHPBMUVYIILBKI-CQSZACIVSA-N 0 0 311.328 3.303 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@@H](O)c1cccc(F)c1 ZINC000883027691 625902110 /nfs/dbraw/zinc/90/21/10/625902110.db2.gz KQPRPHDSKWXKNP-BJOHPYRUSA-N 0 0 311.303 3.021 20 10 DGCDRN C[C@@H](O)C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000883041396 625908162 /nfs/dbraw/zinc/90/81/62/625908162.db2.gz LDUYVTKOAIICJY-OCCSQVGLSA-N 0 0 321.367 3.315 20 10 DGCDRN CC(C)[N@@H+]1CCCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792157298 625916034 /nfs/dbraw/zinc/91/60/34/625916034.db2.gz RQXYEDBRKOYTMS-UHFFFAOYSA-N 0 0 300.805 3.101 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000792167729 625917872 /nfs/dbraw/zinc/91/78/72/625917872.db2.gz OQYZMSLSHOOGQU-GFCCVEGCSA-N 0 0 312.816 3.245 20 10 DGCDRN C[C@@H](C[C@H](O)c1cccs1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883079621 625919121 /nfs/dbraw/zinc/91/91/21/625919121.db2.gz YMXXLJDSTMAOSX-ZANVPECISA-N 0 0 313.369 3.334 20 10 DGCDRN CCOc1ccc(N(CC)C[C@H]2CC3(CCC3)C(=O)O2)cc1 ZINC000792247529 625931351 /nfs/dbraw/zinc/93/13/51/625931351.db2.gz ODOOHVHQPJFJFR-MRXNPFEDSA-N 0 0 303.402 3.397 20 10 DGCDRN Cc1cc(C(=O)NC[C@H]2CCCS2)c(C)n1-c1ccccn1 ZINC000131010485 625932117 /nfs/dbraw/zinc/93/21/17/625932117.db2.gz GPKPAYBBENGGPS-CQSZACIVSA-N 0 0 315.442 3.115 20 10 DGCDRN COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])c1 ZINC000883156230 625946820 /nfs/dbraw/zinc/94/68/20/625946820.db2.gz INWJDNGOLNKXMW-VIFPVBQESA-N 0 0 309.312 3.235 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000883195763 625966520 /nfs/dbraw/zinc/96/65/20/625966520.db2.gz BURNMSJGFHIPJP-OAHLLOKOSA-N 0 0 311.372 3.499 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CSC[C@H]2C)c1 ZINC000796480961 626054857 /nfs/dbraw/zinc/05/48/57/626054857.db2.gz BOKJBRDRMRXJNF-BXKDBHETSA-N 0 0 316.264 3.304 20 10 DGCDRN CC[C@@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccc(F)cc1[O-] ZINC000796944329 626098316 /nfs/dbraw/zinc/09/83/16/626098316.db2.gz WBKFHZDJHQHSRO-CQSZACIVSA-N 0 0 321.421 3.117 20 10 DGCDRN CC[C@H]([NH2+][C@H](CO)Cc1ccc(C)cc1)c1ccc(F)cc1[O-] ZINC000796959526 626100077 /nfs/dbraw/zinc/10/00/77/626100077.db2.gz RADZUEXAQMRSDG-WMZOPIPTSA-N 0 0 317.404 3.484 20 10 DGCDRN CC[C@@H]1CCCCN1C(=O)CN1CCCc2cc(OC)ccc21 ZINC000797725125 626166262 /nfs/dbraw/zinc/16/62/62/626166262.db2.gz RJIGIALGMKUBQZ-MRXNPFEDSA-N 0 0 316.445 3.239 20 10 DGCDRN Cc1ccc(C(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)c(O)c1O ZINC000798029241 626190326 /nfs/dbraw/zinc/19/03/26/626190326.db2.gz QNDCJYCJQJTFPZ-MQMHXKEQSA-N 0 0 315.344 3.221 20 10 DGCDRN C[C@H]([NH2+]C[C@H](O)c1ccco1)c1cccc(C(F)(F)F)c1[O-] ZINC000798179478 626199959 /nfs/dbraw/zinc/19/99/59/626199959.db2.gz BTFYNIANOTZDLD-CABZTGNLSA-N 0 0 315.291 3.388 20 10 DGCDRN C[C@H]([NH2+]CCC1(C)OCCO1)c1cccc(C(F)(F)F)c1[O-] ZINC000798182068 626200494 /nfs/dbraw/zinc/20/04/94/626200494.db2.gz AHLCCLMWBMPLGD-JTQLQIEISA-N 0 0 319.323 3.215 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CCC[C@H]1C ZINC000798416746 626216982 /nfs/dbraw/zinc/21/69/82/626216982.db2.gz PTJUFQWUQSJKSH-HIFRSBDPSA-N 0 0 303.450 3.296 20 10 DGCDRN C[C@@H]1CCC[C@H]1CNC(=O)NCCCSc1nccs1 ZINC000798437518 626218363 /nfs/dbraw/zinc/21/83/63/626218363.db2.gz JPLPTNBBEDUNRK-NEPJUHHUSA-N 0 0 313.492 3.361 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CC=CCC2)c1 ZINC000103611353 626245237 /nfs/dbraw/zinc/24/52/37/626245237.db2.gz KFNMDKFDFRGFOU-STQMWFEESA-N 0 0 304.390 3.117 20 10 DGCDRN COc1cccc(CNC(=O)c2c(F)cccc2SC)c1O ZINC000798980466 626265017 /nfs/dbraw/zinc/26/50/17/626265017.db2.gz QHZWQROJDBZNDC-UHFFFAOYSA-N 0 0 321.373 3.192 20 10 DGCDRN Oc1cc2c(cc1CN1CCC=C(Br)C1)CCC2 ZINC000799573365 626310792 /nfs/dbraw/zinc/31/07/92/626310792.db2.gz BOXDQSSLMJULIU-UHFFFAOYSA-N 0 0 308.219 3.365 20 10 DGCDRN Cn1c(=O)[nH]c2ccc(NCc3c(O)cccc3Cl)cc21 ZINC000799739716 626326998 /nfs/dbraw/zinc/32/69/98/626326998.db2.gz BJDOAGWIVWDZKN-UHFFFAOYSA-N 0 0 303.749 3.250 20 10 DGCDRN COc1cc(NCc2c(O)cccc2OC)c(C)c(OC)c1 ZINC000800530745 626366465 /nfs/dbraw/zinc/36/64/65/626366465.db2.gz PFWPAHPTYFAZQH-UHFFFAOYSA-N 0 0 303.358 3.339 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c(C)[nH]1 ZINC000839914606 626369654 /nfs/dbraw/zinc/36/96/54/626369654.db2.gz AILTVVCBKPUUFE-CYBMUJFWSA-N 0 0 313.445 3.367 20 10 DGCDRN CC(C)(C)c1ccc(NC(=O)c2cccc(O)c2O)c(O)c1 ZINC000800646658 626370026 /nfs/dbraw/zinc/37/00/26/626370026.db2.gz CJDFWECXIMEMCG-UHFFFAOYSA-N 0 0 301.342 3.353 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1Cc2ccccc21 ZINC000839918450 626371291 /nfs/dbraw/zinc/37/12/91/626371291.db2.gz MDAGRGXZDKWSQB-YWZLYKJASA-N 0 0 322.452 3.448 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1CCSCC1 ZINC000839918547 626371633 /nfs/dbraw/zinc/37/16/33/626371633.db2.gz MSAVMQHKLUCENU-AWEZNQCLSA-N 0 0 320.502 3.251 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1(F)CCCC1 ZINC000839918671 626372135 /nfs/dbraw/zinc/37/21/35/626372135.db2.gz CBYVXMFKXABRHV-CQSZACIVSA-N 0 0 306.425 3.391 20 10 DGCDRN CC[C@@H](SC)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839920082 626373375 /nfs/dbraw/zinc/37/33/75/626373375.db2.gz KKOUUYJOKDPTEQ-CZUORRHYSA-N 0 0 308.491 3.250 20 10 DGCDRN CC[C@H](C)[C@@H](OC)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839921149 626373471 /nfs/dbraw/zinc/37/34/71/626373471.db2.gz IBQJCXRBCIYKQF-DHSIGJKJSA-N 0 0 320.477 3.169 20 10 DGCDRN COc1ccc(CSc2ncc(-c3ccccc3)n2C)nn1 ZINC000800831072 626378128 /nfs/dbraw/zinc/37/81/28/626378128.db2.gz AVVARBSFQWSANX-UHFFFAOYSA-N 0 0 312.398 3.178 20 10 DGCDRN COCC(C)(C)CC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839922566 626378572 /nfs/dbraw/zinc/37/85/72/626378572.db2.gz VKYNFASVUDKVPA-OAHLLOKOSA-N 0 0 320.477 3.171 20 10 DGCDRN Oc1cc2c(cc1CN1CCOc3cccc(F)c3C1)CCC2 ZINC000800854931 626379661 /nfs/dbraw/zinc/37/96/61/626379661.db2.gz CPEPHUQEPJDDPR-UHFFFAOYSA-N 0 0 313.372 3.415 20 10 DGCDRN C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccsc1 ZINC000800907642 626384143 /nfs/dbraw/zinc/38/41/43/626384143.db2.gz LPSTZYNLELLIDP-GFCCVEGCSA-N 0 0 303.431 3.375 20 10 DGCDRN Cc1cc(C)nc(C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000801134030 626395417 /nfs/dbraw/zinc/39/54/17/626395417.db2.gz SMIFOANXMSQUDD-UHFFFAOYSA-N 0 0 309.413 3.229 20 10 DGCDRN CO[C@H](COC(=O)c1cccc(O)c1O)c1ccc(Cl)cc1 ZINC000801311374 626400753 /nfs/dbraw/zinc/40/07/53/626400753.db2.gz KDTMIBHFOXQBMF-CQSZACIVSA-N 0 0 322.744 3.296 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)C[C@H]1CCCOC1 ZINC000801545331 626409360 /nfs/dbraw/zinc/40/93/60/626409360.db2.gz NKBMJBIGQYIKCM-OAHLLOKOSA-N 0 0 305.418 3.338 20 10 DGCDRN CCCCN(Cc1nsc(N(C)C)n1)Cc1ccccc1O ZINC000801596157 626411483 /nfs/dbraw/zinc/41/14/83/626411483.db2.gz QUARZBRLSNYPNO-UHFFFAOYSA-N 0 0 320.462 3.112 20 10 DGCDRN Cc1cc(C(=O)Nc2nnn(C)c2C)c(C)n1-c1cccc(C)c1 ZINC000839941873 626415871 /nfs/dbraw/zinc/41/58/71/626415871.db2.gz BLWJDWIHCMAVDY-UHFFFAOYSA-N 0 0 323.400 3.092 20 10 DGCDRN CO[C@@H](COC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000801848957 626421489 /nfs/dbraw/zinc/42/14/89/626421489.db2.gz DZYNCZYPYZCPER-VMSUTVGLSA-N 0 0 314.337 3.042 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CSC1(C)C ZINC000802529961 626563051 /nfs/dbraw/zinc/56/30/51/626563051.db2.gz KKFNKGAKCIFXQI-HNNXBMFYSA-N 0 0 321.490 3.178 20 10 DGCDRN C[C@@H](Cn1ccc2ccccc21)C(=O)NCc1ccccc1O ZINC000802777381 626571031 /nfs/dbraw/zinc/57/10/31/626571031.db2.gz LEPFUKHRYKOORZ-AWEZNQCLSA-N 0 0 308.381 3.299 20 10 DGCDRN CC1(C)CC(C(=O)NCc2cccc(Br)c2O)C1 ZINC000803214343 626598156 /nfs/dbraw/zinc/59/81/56/626598156.db2.gz SAKNGSFYKMSLRF-UHFFFAOYSA-N 0 0 312.207 3.207 20 10 DGCDRN O=C1Nc2ccc(F)cc2/C1=C\c1nccn1CC(F)(F)F ZINC000131205815 626607110 /nfs/dbraw/zinc/60/71/10/626607110.db2.gz FWHCWDZWIVKRMS-UXBLZVDNSA-N 0 0 311.238 3.077 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1ccc(Cl)cc1[O-] ZINC000883275743 626633172 /nfs/dbraw/zinc/63/31/72/626633172.db2.gz AIGPSKUMJCQVHQ-AAEUAGOBSA-N 0 0 309.793 3.140 20 10 DGCDRN CN(C)c1ccc(/C=C\CNC2(c3ncccn3)CCC2)cc1 ZINC000883306544 626640835 /nfs/dbraw/zinc/64/08/35/626640835.db2.gz XZJWHKSOLYDFDW-UTCJRWHESA-N 0 0 308.429 3.225 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(CCO)CC1CC1 ZINC000804251916 626664521 /nfs/dbraw/zinc/66/45/21/626664521.db2.gz OXFAKAPCSPDURF-UHFFFAOYSA-N 0 0 318.442 3.000 20 10 DGCDRN COc1ccc(N(C)CC(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000131651463 626665789 /nfs/dbraw/zinc/66/57/89/626665789.db2.gz YFJRQKYJMASANW-UHFFFAOYSA-N 0 0 314.385 3.087 20 10 DGCDRN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)C(F)F ZINC000883399343 626673193 /nfs/dbraw/zinc/67/31/93/626673193.db2.gz JXXXADCTCILJNW-WDEREUQCSA-N 0 0 318.795 3.481 20 10 DGCDRN CC(=O)c1cc(N(C)Cc2ccccc2O)ccc1[N+](=O)[O-] ZINC000804577658 626693868 /nfs/dbraw/zinc/69/38/68/626693868.db2.gz GWVAAKIKTCLAMD-UHFFFAOYSA-N 0 0 300.314 3.139 20 10 DGCDRN COc1ccc(N(C)C[C@@H](O)c2cccc(F)c2)c(OC)c1 ZINC000132138637 626701851 /nfs/dbraw/zinc/70/18/51/626701851.db2.gz APFUDGZHYSTJSJ-MRXNPFEDSA-N 0 0 305.349 3.013 20 10 DGCDRN CC[C@H]([NH2+]CCCNC(=O)C(C)C)c1cccc(Cl)c1[O-] ZINC000806148997 626702450 /nfs/dbraw/zinc/70/24/50/626702450.db2.gz NJSDAQLJGLLRPY-AWEZNQCLSA-N 0 0 312.841 3.249 20 10 DGCDRN C[C@@H](NC(=O)C(C)(C)C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000806613999 626727395 /nfs/dbraw/zinc/72/73/95/626727395.db2.gz HCNNBHQLZAZCEP-CQSZACIVSA-N 0 0 316.445 3.137 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N[C@@H]3CCCC3(F)F)ccc21 ZINC000806635043 626728979 /nfs/dbraw/zinc/72/89/79/626728979.db2.gz NMIXXYAHIDJSBP-OAHLLOKOSA-N 0 0 323.387 3.056 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NC(C2CCC2)C2CCC2)c1 ZINC000806811600 626734985 /nfs/dbraw/zinc/73/49/85/626734985.db2.gz VBIOBJCQEYEQBF-UHFFFAOYSA-N 0 0 318.417 3.169 20 10 DGCDRN O=C(NCCCSc1nccs1)N[C@H]1CCCC1(F)F ZINC000806959052 626741392 /nfs/dbraw/zinc/74/13/92/626741392.db2.gz PVCVGCBVHTVXQK-VIFPVBQESA-N 0 0 321.418 3.112 20 10 DGCDRN CCOC1CC(N(C)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000807140007 626747411 /nfs/dbraw/zinc/74/74/11/626747411.db2.gz JDHQJKSEHBALPE-NVPAJSRCSA-N 0 0 319.449 3.023 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)NC[C@H]2C=CCC2)C2CC2)cc1 ZINC000883835043 626754537 /nfs/dbraw/zinc/75/45/37/626754537.db2.gz YKBYHUZPJOYQIK-HNNXBMFYSA-N 0 0 313.445 3.393 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CSC[C@H]1C ZINC000807477751 626758442 /nfs/dbraw/zinc/75/84/42/626758442.db2.gz XLCVZJNLUPGWBT-OCCSQVGLSA-N 0 0 308.447 3.065 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1C[C@H](OC)C1 ZINC000883924797 626771560 /nfs/dbraw/zinc/77/15/60/626771560.db2.gz UNOGTMLIOHOTFR-KOMQPUFPSA-N 0 0 320.433 3.129 20 10 DGCDRN O=C(NCC[C@@H]1CCCC1(F)F)N1Cc2cccc(O)c2C1 ZINC000883933317 626773906 /nfs/dbraw/zinc/77/39/06/626773906.db2.gz LYPULLNUWYPBNA-LBPRGKRZSA-N 0 0 310.344 3.243 20 10 DGCDRN COc1ccc(N2CCN(C(=O)CC3(C)CCCC3)CC2)cc1 ZINC000807938595 626778624 /nfs/dbraw/zinc/77/86/24/626778624.db2.gz FNAVJPMGZKMFON-UHFFFAOYSA-N 0 0 316.445 3.314 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2c(C)noc2C2CC2)c1 ZINC000133294214 626780742 /nfs/dbraw/zinc/78/07/42/626780742.db2.gz FIKYXTZCGXJAPZ-SECBINFHSA-N 0 0 316.357 3.066 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c(F)cccc1F ZINC000808095775 626792428 /nfs/dbraw/zinc/79/24/28/626792428.db2.gz RZDGLXQRLABQLP-UHFFFAOYSA-N 0 0 312.312 3.086 20 10 DGCDRN CCOCC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000800050278 626798662 /nfs/dbraw/zinc/79/86/62/626798662.db2.gz RLSXVPYDEBXKJT-ZDUSSCGKSA-N 0 0 324.852 3.229 20 10 DGCDRN Cn1ncc(NCc2cc3c(cc2O)OCO3)c1-c1ccccc1 ZINC000808423961 626823381 /nfs/dbraw/zinc/82/33/81/626823381.db2.gz MEAJLYBELOYNSS-UHFFFAOYSA-N 0 0 323.352 3.134 20 10 DGCDRN CSCC[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1C ZINC000133673576 626831603 /nfs/dbraw/zinc/83/16/03/626831603.db2.gz JYBQIYDZXRYHAU-ZDUSSCGKSA-N 0 0 309.479 3.002 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1COc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000808727581 626854235 /nfs/dbraw/zinc/85/42/35/626854235.db2.gz JJLNVZNBXKPGBU-MNOVXSKESA-N 0 0 305.324 3.497 20 10 DGCDRN Cc1ccc(Br)cc1C(=O)NCc1ccccc1O ZINC000135358877 626926063 /nfs/dbraw/zinc/92/60/63/626926063.db2.gz OIJYREJWTIDIBP-UHFFFAOYSA-N 0 0 320.186 3.393 20 10 DGCDRN COc1ccc(O)c(CN2C[C@@H](C)CN(C)c3ccccc32)c1 ZINC000809664943 626934727 /nfs/dbraw/zinc/93/47/27/626934727.db2.gz MIQQVXYMHYZRET-AWEZNQCLSA-N 0 0 312.413 3.493 20 10 DGCDRN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1cc(Cl)cc(F)c1[O-] ZINC000809698245 626938182 /nfs/dbraw/zinc/93/81/82/626938182.db2.gz WRJGPBGQFTXCCA-AUTCDRCXSA-N 0 0 311.784 3.040 20 10 DGCDRN CCOc1ccc(CN2CCCC[C@H]2c2nc(C)no2)c(O)c1 ZINC000809718651 626941195 /nfs/dbraw/zinc/94/11/95/626941195.db2.gz MMCMBYJVVGXWCC-HNNXBMFYSA-N 0 0 317.389 3.210 20 10 DGCDRN C[C@]1(CCCO)CCC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000809757724 626948015 /nfs/dbraw/zinc/94/80/15/626948015.db2.gz SFBWHSRPVWYWAZ-OAHLLOKOSA-N 0 0 301.789 3.312 20 10 DGCDRN C[N@H+](Cc1c([O-])ccc(Cl)c1F)C1CCC(CO)CC1 ZINC000809764249 626948689 /nfs/dbraw/zinc/94/86/89/626948689.db2.gz HPCVXCSJVHQDPT-UHFFFAOYSA-N 0 0 301.789 3.168 20 10 DGCDRN CN(Cc1cnn(C)n1)c1ccc(OCc2ccccc2)cc1 ZINC000809984843 626965512 /nfs/dbraw/zinc/96/55/12/626965512.db2.gz ACHXLYDWIBFPEQ-UHFFFAOYSA-N 0 0 308.385 3.031 20 10 DGCDRN CN(C)c1ccc(OCC(=O)Nc2c(F)cccc2F)cc1 ZINC000810000746 626967038 /nfs/dbraw/zinc/96/70/38/626967038.db2.gz LQVNACLMMIKMBD-UHFFFAOYSA-N 0 0 306.312 3.048 20 10 DGCDRN C[C@@H]1Cc2ccccc2N1C(=O)COc1ccc(N(C)C)cc1 ZINC000810000981 626967167 /nfs/dbraw/zinc/96/71/67/626967167.db2.gz SSWZNFXCYKKABA-CQSZACIVSA-N 0 0 310.397 3.109 20 10 DGCDRN Cc1ncsc1-c1nc(COc2ccc(N(C)C)cc2)no1 ZINC000810002533 626967543 /nfs/dbraw/zinc/96/75/43/626967543.db2.gz ZXGSTZVCOIVKSO-UHFFFAOYSA-N 0 0 316.386 3.147 20 10 DGCDRN CN(C)c1ccc(OCc2nc(Cc3ccccc3)no2)cc1 ZINC000810001683 626967607 /nfs/dbraw/zinc/96/76/07/626967607.db2.gz JUBHCNIHPANZNR-UHFFFAOYSA-N 0 0 309.369 3.305 20 10 DGCDRN CSc1ccc(NC(=O)COc2ccc(N(C)C)cc2)cc1 ZINC000810002518 626967700 /nfs/dbraw/zinc/96/77/00/626967700.db2.gz ZLYNSJSITIFRBT-UHFFFAOYSA-N 0 0 316.426 3.492 20 10 DGCDRN CN(C)c1ccc(CNc2cccc3[nH]c(=O)oc32)cc1F ZINC000810161896 626982968 /nfs/dbraw/zinc/98/29/68/626982968.db2.gz SFRJAZONCUEHJU-UHFFFAOYSA-N 0 0 301.321 3.351 20 10 DGCDRN CCOC(=O)CN(Cc1cc(C(C)C)c(C)cc1O)C1CC1 ZINC000216630721 626988095 /nfs/dbraw/zinc/98/80/95/626988095.db2.gz CIUSWRBDPMHASL-UHFFFAOYSA-N 0 0 305.418 3.352 20 10 DGCDRN Cc1cccc2c1OC[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])C2 ZINC000810259513 626993932 /nfs/dbraw/zinc/99/39/32/626993932.db2.gz KLSOKKBRPXQNFJ-IUODEOHRSA-N 0 0 301.361 3.494 20 10 DGCDRN CC[C@H]([NH2+][C@@H](CCOC)COC)c1cccc(Cl)c1[O-] ZINC000810258000 626994214 /nfs/dbraw/zinc/99/42/14/626994214.db2.gz XUZVCHHPLSZKOC-FZMZJTMJSA-N 0 0 301.814 3.138 20 10 DGCDRN CC[C@@H](C[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-])OC ZINC000810260051 626994650 /nfs/dbraw/zinc/99/46/50/626994650.db2.gz CKHMHTCIEKPIBF-WPRPVWTQSA-N 0 0 320.202 3.369 20 10 DGCDRN COc1ccc(N(Cc2ccccc2)CC(OC)OC)cc1 ZINC000136785022 627103547 /nfs/dbraw/zinc/10/35/47/627103547.db2.gz AYWXKZYATQOMDG-UHFFFAOYSA-N 0 0 301.386 3.321 20 10 DGCDRN Oc1cccc(Cl)c1CNc1cccc(-n2ccnn2)c1 ZINC000136828938 627103814 /nfs/dbraw/zinc/10/38/14/627103814.db2.gz BIFMKECMHKJKBR-UHFFFAOYSA-N 0 0 300.749 3.238 20 10 DGCDRN C[C@@]1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CCOC2(CCC2)C1 ZINC000886341498 627140569 /nfs/dbraw/zinc/14/05/69/627140569.db2.gz WBCZTJGWWWQACE-MRXNPFEDSA-N 0 0 311.372 3.499 20 10 DGCDRN C[C@]1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCOC2(CCC2)C1 ZINC000886344607 627140802 /nfs/dbraw/zinc/14/08/02/627140802.db2.gz IEERWAUTMJOKOM-INIZCTEOSA-N 0 0 320.389 3.129 20 10 DGCDRN COc1ccc(CC[NH2+][C@@H](C)c2c([O-])cccc2F)cc1OC ZINC000886487449 627152224 /nfs/dbraw/zinc/15/22/24/627152224.db2.gz FDGSAPGXXBODDC-LBPRGKRZSA-N 0 0 319.376 3.442 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1c([O-])cccc1F ZINC000886501488 627153642 /nfs/dbraw/zinc/15/36/42/627153642.db2.gz MQILCOGGTRNTPO-ZDUSSCGKSA-N 0 0 315.392 3.377 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1c([O-])cccc1F ZINC000886511327 627155077 /nfs/dbraw/zinc/15/50/77/627155077.db2.gz QKPLTMOLYRFULZ-ZFWWWQNUSA-N 0 0 303.377 3.033 20 10 DGCDRN C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1c([O-])cccc1F ZINC000886511152 627155137 /nfs/dbraw/zinc/15/51/37/627155137.db2.gz KMVXUTSMDLXVRP-GXTWGEPZSA-N 0 0 321.367 3.172 20 10 DGCDRN C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1c([O-])cccc1F ZINC000886520716 627156123 /nfs/dbraw/zinc/15/61/23/627156123.db2.gz LABAPVGJZYFMQJ-JTQLQIEISA-N 0 0 320.330 3.209 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)[C@H](O)c1ccc(F)cc1 ZINC000886527921 627157169 /nfs/dbraw/zinc/15/71/69/627157169.db2.gz CKVZNDYHOKNKRC-RVPKQNPDSA-N 0 0 307.340 3.443 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)[C@H](O)Cc1ccccc1 ZINC000886553440 627161729 /nfs/dbraw/zinc/16/17/29/627161729.db2.gz NFSUDLPDIWEGCV-IIYDPXPESA-N 0 0 303.377 3.174 20 10 DGCDRN C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1c([O-])cccc1F ZINC000886557314 627162769 /nfs/dbraw/zinc/16/27/69/627162769.db2.gz YFJQYEMREVSERG-NSHDSACASA-N 0 0 304.321 3.333 20 10 DGCDRN COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](C)c2c([O-])cccc2F)C1 ZINC000886593914 627169483 /nfs/dbraw/zinc/16/94/83/627169483.db2.gz BOCMNCKOLOLDIW-XQQFMLRXSA-N 0 0 324.396 3.049 20 10 DGCDRN COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)c2c([O-])cccc2F)C1 ZINC000886593911 627169517 /nfs/dbraw/zinc/16/95/17/627169517.db2.gz BOCMNCKOLOLDIW-AGIUHOORSA-N 0 0 324.396 3.049 20 10 DGCDRN CC(C)[C@@H](C[NH2+][C@H](C)c1c([O-])cccc1F)c1ccnn1C ZINC000886599313 627170650 /nfs/dbraw/zinc/17/06/50/627170650.db2.gz WDUVWGNIUVACRC-CHWSQXEVSA-N 0 0 305.397 3.355 20 10 DGCDRN C[C@@H]([NH2+]C1CCN(c2nccs2)CC1)c1c([O-])cccc1F ZINC000886605822 627171401 /nfs/dbraw/zinc/17/14/01/627171401.db2.gz ZHTPETGLJNJTMJ-LLVKDONJSA-N 0 0 321.421 3.307 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1c([O-])cccc1F ZINC000886609233 627172523 /nfs/dbraw/zinc/17/25/23/627172523.db2.gz OYCGJHMCVTWPOW-VERVWZFWSA-N 0 0 321.417 3.261 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCO[C@H](c2ccncc2)C1)c1c([O-])cccc1F ZINC000886620132 627174838 /nfs/dbraw/zinc/17/48/38/627174838.db2.gz CJMSTNKOUMCJHN-JDFRZJQESA-N 0 0 316.376 3.497 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1c([O-])cccc1F ZINC000886626490 627176208 /nfs/dbraw/zinc/17/62/08/627176208.db2.gz CXFKMKUVARQCMG-DGCLKSJQSA-N 0 0 307.340 3.097 20 10 DGCDRN COC(=O)Cc1ccccc1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886634866 627177095 /nfs/dbraw/zinc/17/70/95/627177095.db2.gz ORRKXLZFAMOSTA-LBPRGKRZSA-N 0 0 317.360 3.098 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)c1c([O-])cccc1F ZINC000886632851 627177347 /nfs/dbraw/zinc/17/73/47/627177347.db2.gz HRXXXQSEOOIPJQ-IAQYHMDHSA-N 0 0 314.360 3.135 20 10 DGCDRN Cc1cccc2nc(CC[NH2+][C@@H](C)c3c([O-])cccc3F)cn21 ZINC000886631280 627177351 /nfs/dbraw/zinc/17/73/51/627177351.db2.gz IWIDIQLHRWCJAC-ZDUSSCGKSA-N 0 0 313.376 3.381 20 10 DGCDRN O=C(NCc1cc(Br)ccc1O)Nc1ccccc1 ZINC000139818731 627221389 /nfs/dbraw/zinc/22/13/89/627221389.db2.gz IAESLQFWFANTAK-UHFFFAOYSA-N 0 0 321.174 3.476 20 10 DGCDRN CC(C)(C)c1ccc([C@H](O)c2cn(-c3ccc(N)cc3)nn2)cc1 ZINC000887407953 627256533 /nfs/dbraw/zinc/25/65/33/627256533.db2.gz YTEAHJYYFBCTMD-SFHVURJKSA-N 0 0 322.412 3.229 20 10 DGCDRN COc1cc2c(cc1NCc1cnnn1C)oc1ccccc12 ZINC000811727360 627312794 /nfs/dbraw/zinc/31/27/94/627312794.db2.gz ZAVRJDBZAIBLLN-UHFFFAOYSA-N 0 0 308.341 3.335 20 10 DGCDRN COc1ccc2c(c1)CCCN2CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000811757291 627318128 /nfs/dbraw/zinc/31/81/28/627318128.db2.gz CNNYLRNENJCSDS-KRWDZBQOSA-N 0 0 314.429 3.052 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C[C@@H]2CCC3(CCC3)CO2)cc1 ZINC000887767534 627321024 /nfs/dbraw/zinc/32/10/24/627321024.db2.gz OQBARQPRLHGMJQ-KRWDZBQOSA-N 0 0 316.445 3.108 20 10 DGCDRN Oc1ccc2c(c1CNc1ccnc3ccncc31)CCCC2 ZINC000811808839 627323910 /nfs/dbraw/zinc/32/39/10/627323910.db2.gz QMYZLAZWMDXYGX-UHFFFAOYSA-N 0 0 305.381 3.248 20 10 DGCDRN CC[C@@H](CNC(=O)N(C)Cc1ccc(N(CC)CC)cc1)OC ZINC000811968188 627342303 /nfs/dbraw/zinc/34/23/03/627342303.db2.gz DLLXZNAVGQUCKL-KRWDZBQOSA-N 0 0 321.465 3.099 20 10 DGCDRN CC[C@H](CNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)OC ZINC000812367939 627376123 /nfs/dbraw/zinc/37/61/23/627376123.db2.gz MXDWZQDGKKNFIM-MRXNPFEDSA-N 0 0 318.392 3.388 20 10 DGCDRN COc1ccc(CNc2cc(C)c([N+](=O)[O-])cc2F)c(O)c1 ZINC000812475087 627390301 /nfs/dbraw/zinc/39/03/01/627390301.db2.gz SOSJIICKIZBRMA-UHFFFAOYSA-N 0 0 306.293 3.369 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](C)[C@@H](C)COC)cc1 ZINC000812477473 627390861 /nfs/dbraw/zinc/39/08/61/627390861.db2.gz PJCUNCLJGJCKCP-GJZGRUSLSA-N 0 0 306.450 3.068 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@](C)(OC)C2CC2)cc1F ZINC000812506082 627393301 /nfs/dbraw/zinc/39/33/01/627393301.db2.gz VTBINRKPVNLCIG-GOSISDBHSA-N 0 0 322.424 3.103 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](C)[C@@H](C)COC ZINC000812563468 627397899 /nfs/dbraw/zinc/39/78/99/627397899.db2.gz ALUYVGMRTISLBO-LSDHHAIUSA-N 0 0 307.434 3.440 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)NCCCCF)cc1 ZINC000812927249 627436391 /nfs/dbraw/zinc/43/63/91/627436391.db2.gz VYJCXRYDDFLCHP-UHFFFAOYSA-N 0 0 309.429 3.424 20 10 DGCDRN C[C@H](NC(=O)[C@@H]1CCCCCC(=O)C1)c1ccc(N(C)C)cc1 ZINC000813524611 627496090 /nfs/dbraw/zinc/49/60/90/627496090.db2.gz DTHPTQUEUPWJCZ-GOEBONIOSA-N 0 0 316.445 3.469 20 10 DGCDRN CC[C@H]1CCN1C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000813634933 627505259 /nfs/dbraw/zinc/50/52/59/627505259.db2.gz XBMPROXEVRVJLL-AWEZNQCLSA-N 0 0 307.413 3.366 20 10 DGCDRN CCN(CC)c1ccc(CN(C)[C@H]2CC(C)(C)OC2=O)cc1F ZINC000814180978 627547978 /nfs/dbraw/zinc/54/79/78/627547978.db2.gz UNJQNDWUTSTLBV-INIZCTEOSA-N 0 0 322.424 3.198 20 10 DGCDRN CCOc1cc(/C=C2/SC(=S)N(C3CC3)C2=O)ccc1O ZINC000814285621 627556867 /nfs/dbraw/zinc/55/68/67/627556867.db2.gz YODIVOYBLYVTTP-MDWZMJQESA-N 0 0 321.423 3.155 20 10 DGCDRN Cc1ccnc(NCc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC000840325514 627583542 /nfs/dbraw/zinc/58/35/42/627583542.db2.gz HJNZADAPFDOAJK-UHFFFAOYSA-N 0 0 319.355 3.117 20 10 DGCDRN CSC1(CNC(=O)/C=C\c2ccc(O)c(O)c2)CCCCC1 ZINC000924238559 627616903 /nfs/dbraw/zinc/61/69/03/627616903.db2.gz MICVQGQXKGZHRX-VURMDHGXSA-N 0 0 321.442 3.293 20 10 DGCDRN CCN(C)c1ccc(CN2CC(=O)N(C)[C@@H]2c2ccccc2)cc1 ZINC000815100713 627627137 /nfs/dbraw/zinc/62/71/37/627627137.db2.gz SQCNXLPEPXPIMM-FQEVSTJZSA-N 0 0 323.440 3.116 20 10 DGCDRN CCc1nocc1CN(C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000815171318 627640935 /nfs/dbraw/zinc/64/09/35/627640935.db2.gz UEYKNYQNYYLSMF-UHFFFAOYSA-N 0 0 322.792 3.431 20 10 DGCDRN C[C@H]([NH2+]CCc1cnn(C)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000815562236 627684991 /nfs/dbraw/zinc/68/49/91/627684991.db2.gz ADLYFFPUEIKDSU-JTQLQIEISA-N 0 0 313.323 3.038 20 10 DGCDRN C[C@@H]([NH2+]CCN1CC[C@H](C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815585987 627688468 /nfs/dbraw/zinc/68/84/68/627688468.db2.gz WTXZRCBLMLRZMD-NWDGAFQWSA-N 0 0 316.367 3.403 20 10 DGCDRN C[C@@H]([NH2+]CCc1ccnn1C)c1cccc(C(F)(F)F)c1[O-] ZINC000815616682 627691011 /nfs/dbraw/zinc/69/10/11/627691011.db2.gz VTLSCPCWXWGZET-SNVBAGLBSA-N 0 0 313.323 3.038 20 10 DGCDRN COc1ccc(O)c([C@H](C)Nc2ccc(F)c(NC(N)=O)c2)c1 ZINC000815632158 627693081 /nfs/dbraw/zinc/69/30/81/627693081.db2.gz FABOTYDNVQBVKV-VIFPVBQESA-N 0 0 319.336 3.204 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2cc(F)ccc2Cl)c1 ZINC000815835229 627707178 /nfs/dbraw/zinc/70/71/78/627707178.db2.gz NQQZFICYFSJSHR-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@@H](c1ccccn1)C1CC1 ZINC000925535578 627749367 /nfs/dbraw/zinc/74/93/67/627749367.db2.gz ZGKBXMQBFICJDR-QGZVFWFLSA-N 0 0 311.385 3.080 20 10 DGCDRN NC(=O)COc1ccc(NCc2ccc3ccccc3c2O)cc1 ZINC000816522910 627802740 /nfs/dbraw/zinc/80/27/40/627802740.db2.gz UPFAJHFZCPBFRE-UHFFFAOYSA-N 0 0 322.364 3.022 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C(=O)Nc1ccccc1 ZINC000816549010 627805633 /nfs/dbraw/zinc/80/56/33/627805633.db2.gz ADWWJRMFGSICPZ-JTQLQIEISA-N 0 0 322.767 3.302 20 10 DGCDRN Cc1ncc2c(n1)CCC[C@@H]2[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816550548 627805998 /nfs/dbraw/zinc/80/59/98/627805998.db2.gz UQNPOYOTOCBQRP-AWEZNQCLSA-N 0 0 321.783 3.450 20 10 DGCDRN Cc1ncc(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])s1 ZINC000816557881 627807485 /nfs/dbraw/zinc/80/74/85/627807485.db2.gz FFLVYGNCXUCIIS-UHFFFAOYSA-N 0 0 300.786 3.282 20 10 DGCDRN CC(C)[C@@H](O)C(C)(C)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816559667 627807759 /nfs/dbraw/zinc/80/77/59/627807759.db2.gz QVWGIFFRWWJAQL-CQSZACIVSA-N 0 0 303.805 3.317 20 10 DGCDRN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@@H]1CCCC[C@@H]1O ZINC000816564437 627808233 /nfs/dbraw/zinc/80/82/33/627808233.db2.gz GFKFHRYIXDOZEO-HZMBPMFUSA-N 0 0 301.789 3.168 20 10 DGCDRN C[C@@H](CCO)C1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCC1 ZINC000816560528 627808494 /nfs/dbraw/zinc/80/84/94/627808494.db2.gz RKRDLNODYCATAQ-NSHDSACASA-N 0 0 315.816 3.463 20 10 DGCDRN Cc1cc(NCc2cc(Cl)c(F)cc2O)ccc1C(N)=O ZINC000816598152 627813536 /nfs/dbraw/zinc/81/35/36/627813536.db2.gz REGHYMFEVVFZSA-UHFFFAOYSA-N 0 0 308.740 3.204 20 10 DGCDRN Oc1cc(F)c(Cl)cc1CNc1ccc(C2(O)COC2)cc1 ZINC000816612561 627814311 /nfs/dbraw/zinc/81/43/11/627814311.db2.gz SBYFOYLZWOLESJ-UHFFFAOYSA-N 0 0 323.751 3.015 20 10 DGCDRN Cc1ccc(O)cc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000816911619 627839735 /nfs/dbraw/zinc/83/97/35/627839735.db2.gz SEZCQBFUMXTNBZ-UHFFFAOYSA-N 0 0 310.397 3.013 20 10 DGCDRN CC[C@H](O)CNC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000817012228 627845902 /nfs/dbraw/zinc/84/59/02/627845902.db2.gz FAAFTCOFWHKPGI-HNNXBMFYSA-N 0 0 320.820 3.248 20 10 DGCDRN Nc1ccc(NC(=O)NCC[C@@H]2OCCc3ccccc32)cc1 ZINC000926140594 627849999 /nfs/dbraw/zinc/84/99/99/627849999.db2.gz BLVQBLBKPLYLKH-KRWDZBQOSA-N 0 0 311.385 3.094 20 10 DGCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2CC[C@H]1CCOC1=O ZINC000817299132 627879645 /nfs/dbraw/zinc/87/96/45/627879645.db2.gz VNKPZOOUJICHIT-HOCLYGCPSA-N 0 0 317.429 3.283 20 10 DGCDRN Cc1ccc(O)c(CNc2ccc(C(N)=O)cc2OC(C)C)c1 ZINC000817418427 627898243 /nfs/dbraw/zinc/89/82/43/627898243.db2.gz PWICGHCFVNBQPW-UHFFFAOYSA-N 0 0 314.385 3.199 20 10 DGCDRN CC(F)(F)c1ccc(CNC(=O)c2cccc(O)c2O)cc1 ZINC000817462375 627906318 /nfs/dbraw/zinc/90/63/18/627906318.db2.gz KMNREBHYRVQEHA-UHFFFAOYSA-N 0 0 307.296 3.140 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)COCc3ccccn3)cc12 ZINC000817762223 627947414 /nfs/dbraw/zinc/94/74/14/627947414.db2.gz UKTVTWVFCHGLJN-UHFFFAOYSA-N 0 0 324.380 3.312 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)N1CCc2c1c(F)ccc2F ZINC000817827085 627950410 /nfs/dbraw/zinc/95/04/10/627950410.db2.gz IGAYIKOMWMUIDA-GORDUTHDSA-N 0 0 300.308 3.271 20 10 DGCDRN CC[C@H]([NH2+][C@H]1CCCNC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817940844 627968651 /nfs/dbraw/zinc/96/86/51/627968651.db2.gz LGBILDZLUCIXJL-CABZTGNLSA-N 0 0 303.233 3.492 20 10 DGCDRN Nc1ccc(Cc2nc(C(=O)NCCCC3CC3)cs2)cc1 ZINC000817948630 627971249 /nfs/dbraw/zinc/97/12/49/627971249.db2.gz CCUUICFOSURJFD-UHFFFAOYSA-N 0 0 315.442 3.236 20 10 DGCDRN CC(C)C[C@H](CN)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817959891 627975447 /nfs/dbraw/zinc/97/54/47/627975447.db2.gz WHVKONDROZCXQH-WDEREUQCSA-N 0 0 304.356 3.435 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CNCC[C@H]1C)c1cccc(C(F)(F)F)c1[O-] ZINC000817969025 627978659 /nfs/dbraw/zinc/97/86/59/627978659.db2.gz PQMOSSFGIPUGEW-GBIKHYSHSA-N 0 0 302.340 3.060 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000817972955 627979586 /nfs/dbraw/zinc/97/95/86/627979586.db2.gz ACDYAHKBPCIMKR-GTNSWQLSSA-N 0 0 318.367 3.208 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817976358 627981161 /nfs/dbraw/zinc/98/11/61/627981161.db2.gz KOXWFRUSXMMIMK-OUJBWJOFSA-N 0 0 321.223 3.440 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)c1ccc(F)cc1[O-] ZINC000926922754 627981928 /nfs/dbraw/zinc/98/19/28/627981928.db2.gz RRRRPMUGMGXQEN-CMPLNLGQSA-N 0 0 320.330 3.209 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1c([O-])cccc1F ZINC000926928391 627983567 /nfs/dbraw/zinc/98/35/67/627983567.db2.gz ZKXLYAQESHJFCK-MRVPVSSYSA-N 0 0 317.286 3.134 20 10 DGCDRN C[C@H]([NH2+]CCO[C@H]1CCOC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000927080406 628009387 /nfs/dbraw/zinc/00/93/87/628009387.db2.gz IYQVOSYMUXKHDX-UWVGGRQHSA-N 0 0 320.216 3.155 20 10 DGCDRN CCOCCOCC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000927087380 628010966 /nfs/dbraw/zinc/01/09/66/628010966.db2.gz NEKFDDOGPPCDAU-JTQLQIEISA-N 0 0 322.232 3.403 20 10 DGCDRN CC[C@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1ccc(F)cc1[O-] ZINC000927108663 628016214 /nfs/dbraw/zinc/01/62/14/628016214.db2.gz SGFGZFNMMYTNOP-HNNXBMFYSA-N 0 0 303.381 3.383 20 10 DGCDRN COC(=O)c1cnc([C@H](C)N[C@H](C)c2cc(C)ccc2O)s1 ZINC000818357295 628017666 /nfs/dbraw/zinc/01/76/66/628017666.db2.gz YLMVHZQZPDLTQN-MNOVXSKESA-N 0 0 320.414 3.356 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000840360072 628023689 /nfs/dbraw/zinc/02/36/89/628023689.db2.gz LJQAUUNSUXHGNV-ZSGPHXLJSA-N 0 0 315.461 3.090 20 10 DGCDRN C[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1O)c1c([O-])cccc1F ZINC000927139267 628024687 /nfs/dbraw/zinc/02/46/87/628024687.db2.gz KGAYTMKXIXHUBP-LSKLOWJMSA-N 0 0 301.361 3.230 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])cc1F ZINC000818631095 628045475 /nfs/dbraw/zinc/04/54/75/628045475.db2.gz CDUFEHMWMZILSC-GUYCJALGSA-N 0 0 322.424 3.357 20 10 DGCDRN COc1ncc(/C=C/C(=O)N(C)c2cc(Cl)ccc2C)cn1 ZINC000818809778 628056075 /nfs/dbraw/zinc/05/60/75/628056075.db2.gz XBQJKWYCNDWOKV-FNORWQNLSA-N 0 0 317.776 3.123 20 10 DGCDRN CC[C@@H](C1CCCC1)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819169040 628104646 /nfs/dbraw/zinc/10/46/46/628104646.db2.gz FXHLUVOHXBLHGI-HNNXBMFYSA-N 0 0 316.401 3.125 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCCCF ZINC000840377827 628119541 /nfs/dbraw/zinc/11/95/41/628119541.db2.gz KCDJYIPJRWLHHP-AWEZNQCLSA-N 0 0 309.429 3.041 20 10 DGCDRN CCS(=O)(=O)CCNc1ccc(Nc2ccccc2)cc1 ZINC000819395460 628147458 /nfs/dbraw/zinc/14/74/58/628147458.db2.gz MDHAGVCKFGEYBW-UHFFFAOYSA-N 0 0 304.415 3.277 20 10 DGCDRN Cc1ccccc1OC[C@H](O)CNc1ccccc1OCCF ZINC000819489363 628162871 /nfs/dbraw/zinc/16/28/71/628162871.db2.gz UDYZMRGKPTXHRF-OAHLLOKOSA-N 0 0 319.376 3.195 20 10 DGCDRN Cc1ccccc1OC[C@@H](O)CNc1ccccc1OCCF ZINC000819489362 628162980 /nfs/dbraw/zinc/16/29/80/628162980.db2.gz UDYZMRGKPTXHRF-HNNXBMFYSA-N 0 0 319.376 3.195 20 10 DGCDRN Cc1cccc(OC[C@H](O)CNc2ccccc2OCCF)c1 ZINC000819488166 628163085 /nfs/dbraw/zinc/16/30/85/628163085.db2.gz KGYWQZFVSGYTFS-OAHLLOKOSA-N 0 0 319.376 3.195 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)/C=C\[C@H]1CCCO1 ZINC000819524488 628166712 /nfs/dbraw/zinc/16/67/12/628166712.db2.gz MNQLSUPYUFAWFP-BLIJAFNYSA-N 0 0 303.402 3.256 20 10 DGCDRN CCCC1(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000819584895 628171564 /nfs/dbraw/zinc/17/15/64/628171564.db2.gz SZPGAEXWSQRXKN-HNNXBMFYSA-N 0 0 316.445 3.218 20 10 DGCDRN C=C/C(C)=C\CC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819586576 628171597 /nfs/dbraw/zinc/17/15/97/628171597.db2.gz ADLGWRIMSSUPFF-STJUIISESA-N 0 0 314.429 3.160 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNC(=O)C[C@H](C)C3CC3)C2)cc1 ZINC000819582096 628171623 /nfs/dbraw/zinc/17/16/23/628171623.db2.gz HQLDJOURHGBCPZ-GJZGRUSLSA-N 0 0 316.445 3.074 20 10 DGCDRN CCC(C)(CC)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819590062 628171971 /nfs/dbraw/zinc/17/19/71/628171971.db2.gz WHMFLIONSUCLLU-OAHLLOKOSA-N 0 0 318.461 3.464 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)C3=CCCCC3)C2)cc1 ZINC000819589467 628172101 /nfs/dbraw/zinc/17/21/01/628172101.db2.gz RHZDXXGDVDBNKU-OAHLLOKOSA-N 0 0 314.429 3.138 20 10 DGCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CC34CC4)c2C)cc1 ZINC000819625119 628173694 /nfs/dbraw/zinc/17/36/94/628173694.db2.gz MXVGIGDSXQBKMP-QGZVFWFLSA-N 0 0 310.397 3.385 20 10 DGCDRN C[C@H](CCOc1ccccc1)C(=O)NCc1c(O)cccc1F ZINC000928704855 628179380 /nfs/dbraw/zinc/17/93/80/628179380.db2.gz FWCOVSCJUKALEX-CYBMUJFWSA-N 0 0 317.360 3.253 20 10 DGCDRN C[C@@H](CCOc1ccccc1)C(=O)NCc1c(O)cccc1F ZINC000928704857 628179445 /nfs/dbraw/zinc/17/94/45/628179445.db2.gz FWCOVSCJUKALEX-ZDUSSCGKSA-N 0 0 317.360 3.253 20 10 DGCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)C=C(CC)CC ZINC000819696987 628179908 /nfs/dbraw/zinc/17/99/08/628179908.db2.gz KFMAHBVDLPDSOM-UHFFFAOYSA-N 0 0 319.401 3.030 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNc3cccc(F)n3)C2)cc1 ZINC000819937010 628201834 /nfs/dbraw/zinc/20/18/34/628201834.db2.gz YLJYHHOCKDTYDA-ZDUSSCGKSA-N 0 0 301.365 3.168 20 10 DGCDRN CC(C)(C)c1cnc(Sc2ncccc2-c2nn[nH]n2)s1 ZINC000819965646 628206396 /nfs/dbraw/zinc/20/63/96/628206396.db2.gz LKELLTFDYVRQFL-UHFFFAOYSA-N 0 0 318.431 3.167 20 10 DGCDRN CCC[C@@H]1SCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820035585 628215742 /nfs/dbraw/zinc/21/57/42/628215742.db2.gz ODHVPABLEHEPRA-LBPRGKRZSA-N 0 0 306.391 3.164 20 10 DGCDRN CC(C)[C@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820075875 628221744 /nfs/dbraw/zinc/22/17/44/628221744.db2.gz DXHQGBHLWKJHKN-CQSZACIVSA-N 0 0 302.378 3.500 20 10 DGCDRN C[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H](C)C1 ZINC000820189244 628232631 /nfs/dbraw/zinc/23/26/31/628232631.db2.gz XPFKQGCPFLJKNK-YABSGUDNSA-N 0 0 302.378 3.404 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCCC(F)(F)C2)cc1 ZINC000821051060 628332031 /nfs/dbraw/zinc/33/20/31/628332031.db2.gz WMBXHRVYLPSMAB-LLVKDONJSA-N 0 0 310.304 3.157 20 10 DGCDRN COc1cc(NCc2cc(C)ccc2O)ccc1NC(C)=O ZINC000103855204 628351189 /nfs/dbraw/zinc/35/11/89/628351189.db2.gz VMWGWNUQGJOPHT-UHFFFAOYSA-N 0 0 300.358 3.280 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N(CC(F)F)CC2CCC2)cc1 ZINC000821399750 628363929 /nfs/dbraw/zinc/36/39/29/628363929.db2.gz PSIDBARJQLPBRS-UHFFFAOYSA-N 0 0 324.331 3.356 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N[C@H]2CC23CCCCC3)cc1 ZINC000821516565 628378970 /nfs/dbraw/zinc/37/89/70/628378970.db2.gz NIZDIXUSNPWMEJ-ZDUSSCGKSA-N 0 0 300.362 3.302 20 10 DGCDRN CC(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000821682248 628391015 /nfs/dbraw/zinc/39/10/15/628391015.db2.gz YDHKCUXQILFFRE-HNNXBMFYSA-N 0 0 316.426 3.410 20 10 DGCDRN C[C@@H]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC000821911710 628409870 /nfs/dbraw/zinc/40/98/70/628409870.db2.gz BYCAJZMUMWTZFC-UHIISALHSA-N 0 0 302.378 3.404 20 10 DGCDRN Cc1cn2ccc(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)cc2n1 ZINC000822084064 628420704 /nfs/dbraw/zinc/42/07/04/628420704.db2.gz ZXVKZCJSMNCRKQ-CQSZACIVSA-N 0 0 322.412 3.200 20 10 DGCDRN CC(C)OC1(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC000822083779 628420778 /nfs/dbraw/zinc/42/07/78/628420778.db2.gz YBFMJDBGDAVDQK-CQSZACIVSA-N 0 0 304.434 3.278 20 10 DGCDRN CC[C@H]1CCC[C@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000822197212 628429018 /nfs/dbraw/zinc/42/90/18/628429018.db2.gz QGFVVDXERRSVIY-MAUKXSAKSA-N 0 0 316.445 3.170 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)CSC(F)F)cc1 ZINC000822270162 628434360 /nfs/dbraw/zinc/43/43/60/628434360.db2.gz YLWWBTRFSHOHNK-UHFFFAOYSA-N 0 0 316.417 3.447 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000822596741 628469303 /nfs/dbraw/zinc/46/93/03/628469303.db2.gz ZLFLYLZNSBOXST-ZIAGYGMSSA-N 0 0 314.351 3.347 20 10 DGCDRN CCC[C@H](OC)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000822653133 628475672 /nfs/dbraw/zinc/47/56/72/628475672.db2.gz ZKASFZNCAJMSCC-KRWDZBQOSA-N 0 0 306.450 3.305 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C(C)(C)C(C)(F)F)cc1F ZINC000822861645 628503599 /nfs/dbraw/zinc/50/35/99/628503599.db2.gz CWCAGJZPCZPUQN-UHFFFAOYSA-N 0 0 302.340 3.189 20 10 DGCDRN CCOC(=O)c1cccc(N(CC)C(=O)C2=CC(=O)CS2)c1 ZINC000823067116 628522673 /nfs/dbraw/zinc/52/26/73/628522673.db2.gz GDJPRQZFVPHKIY-UHFFFAOYSA-N 0 0 319.382 3.297 20 10 DGCDRN CC[C@@H]1CCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000823293180 628547095 /nfs/dbraw/zinc/54/70/95/628547095.db2.gz VYPCOKKNCBNOBG-YPMHNXCESA-N 0 0 302.378 3.405 20 10 DGCDRN O=C(Nc1cccc(N2CCCCC2)c1)c1ccc(CO)cc1 ZINC000823321658 628549297 /nfs/dbraw/zinc/54/92/97/628549297.db2.gz BRLAOZNMMLWIOY-UHFFFAOYSA-N 0 0 310.397 3.422 20 10 DGCDRN CCN(CC)c1ccc(CN(C)Cc2nn(CC)nc2C)cc1 ZINC000823390798 628555512 /nfs/dbraw/zinc/55/55/12/628555512.db2.gz KRSZTBKNOKFTFU-UHFFFAOYSA-N 0 0 315.465 3.085 20 10 DGCDRN CCN(CC)C(=O)c1ccccc1NC(=O)C1=CC(=O)CS1 ZINC000823398537 628557132 /nfs/dbraw/zinc/55/71/32/628557132.db2.gz VCNHCPLUBLOEGI-UHFFFAOYSA-N 0 0 318.398 3.188 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cc(Cl)no1 ZINC000823662609 628584786 /nfs/dbraw/zinc/58/47/86/628584786.db2.gz KPISHSRZEZEJNU-LLVKDONJSA-N 0 0 321.808 3.063 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2C[C@H]2C2CCC2)c1 ZINC000823769945 628595124 /nfs/dbraw/zinc/59/51/24/628595124.db2.gz KJCRWKNKLJATFG-FFSVYQOJSA-N 0 0 318.417 3.197 20 10 DGCDRN CCC[C@H](CC)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000823776139 628595724 /nfs/dbraw/zinc/59/57/24/628595724.db2.gz KVAHRPLWHOUILC-HOTGVXAUSA-N 0 0 318.461 3.464 20 10 DGCDRN C[C@H](NC(=O)[C@H]1CCC1(C)C)c1ccc(N2CCOCC2)cc1 ZINC000823835345 628601018 /nfs/dbraw/zinc/60/10/18/628601018.db2.gz XRYVEXDHYIICTC-WMLDXEAASA-N 0 0 316.445 3.137 20 10 DGCDRN CC(C)[C@H]1C[C@@H](C(=O)NCc2cc(Cl)ccc2O)CCO1 ZINC000823986250 628616210 /nfs/dbraw/zinc/61/62/10/628616210.db2.gz IQDXLJVQAKNHQA-XHDPSFHLSA-N 0 0 311.809 3.113 20 10 DGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(CO)cc1 ZINC000824262022 628645230 /nfs/dbraw/zinc/64/52/30/628645230.db2.gz QKFSHOKAMJCUSK-UHFFFAOYSA-N 0 0 324.424 3.099 20 10 DGCDRN CC[C@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2[O-])CCO1 ZINC000824291787 628647388 /nfs/dbraw/zinc/64/73/88/628647388.db2.gz HLDSLNMSYVTDND-RYUDHWBXSA-N 0 0 314.223 3.202 20 10 DGCDRN CCC[C@@H](CC)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000824380143 628656649 /nfs/dbraw/zinc/65/66/49/628656649.db2.gz PSQFADXPDNWACE-HUUCEWRRSA-N 0 0 304.434 3.216 20 10 DGCDRN CN(Cc1cccs1)c1ccc(CN2CCO[C@@H]3C[C@@H]32)cc1 ZINC000824426861 628660085 /nfs/dbraw/zinc/66/00/85/628660085.db2.gz DSXLJFQHJLHRBQ-ZWKOTPCHSA-N 0 0 314.454 3.358 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H](CCF)C2)cc1 ZINC000824561767 628671048 /nfs/dbraw/zinc/67/10/48/628671048.db2.gz YUDGNBAPNUBGIZ-NSHDSACASA-N 0 0 306.341 3.061 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CCC[C@@H]1C1CC1 ZINC000840491134 628702874 /nfs/dbraw/zinc/70/28/74/628702874.db2.gz NWOCFMIQWKMGON-HBXAWUERSA-N 0 0 301.386 3.054 20 10 DGCDRN CC1(C(=O)NCc2ccc(N3CCCC3)cc2)CCC(=O)CC1 ZINC000824983191 628712867 /nfs/dbraw/zinc/71/28/67/628712867.db2.gz SLPUDIFRCOJZSM-UHFFFAOYSA-N 0 0 314.429 3.052 20 10 DGCDRN Oc1ccc(F)cc1CN1CCOC[C@@H]1c1ccc(F)cc1 ZINC000825046084 628720729 /nfs/dbraw/zinc/72/07/29/628720729.db2.gz PUNXNEGBDYUKPQ-MRXNPFEDSA-N 0 0 305.324 3.244 20 10 DGCDRN C[C@]12CCCC[C@H]1CN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000825056089 628722574 /nfs/dbraw/zinc/72/25/74/628722574.db2.gz ITVHGIBCJUSHQS-LRDDRELGSA-N 0 0 300.362 3.254 20 10 DGCDRN CC1(C)C[C@@H](O)CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000825090954 628727061 /nfs/dbraw/zinc/72/70/61/628727061.db2.gz OSIANHGDVKMJTA-JTQLQIEISA-N 0 0 301.789 3.168 20 10 DGCDRN Cc1occ(C(F)(F)F)c1C(=O)N1Cc2cccc(O)c2C1 ZINC000825356329 628753336 /nfs/dbraw/zinc/75/33/36/628753336.db2.gz QPWHNEJAYLLGTL-UHFFFAOYSA-N 0 0 311.259 3.468 20 10 DGCDRN COc1ccc(N(C)Cc2cc(C(F)(F)F)nn2C)cc1F ZINC000825469030 628764680 /nfs/dbraw/zinc/76/46/80/628764680.db2.gz UEWUPALKCLTSPM-UHFFFAOYSA-N 0 0 317.286 3.223 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)C1CC(O)(CCC(C)(C)C)C1 ZINC000825487046 628767149 /nfs/dbraw/zinc/76/71/49/628767149.db2.gz JRAPOVWAWVSCNI-UHFFFAOYSA-N 0 0 319.445 3.318 20 10 DGCDRN C/C(=C/C(=O)N1CCCc2c(C)cc(C)cc21)c1cnccn1 ZINC000825652006 628781864 /nfs/dbraw/zinc/78/18/64/628781864.db2.gz AFGHYYNIIUGJBX-PTNGSMBKSA-N 0 0 307.397 3.476 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCCC2(F)F)c1 ZINC000825737328 628792822 /nfs/dbraw/zinc/79/28/22/628792822.db2.gz ZHTSZDMAJWGZSP-ZWNOBZJWSA-N 0 0 313.344 3.404 20 10 DGCDRN Cc1cc(O)c(CN(C)Cc2nncn2C(C)C)cc1Cl ZINC000825991636 628818845 /nfs/dbraw/zinc/81/88/45/628818845.db2.gz LJRIWSQBVSADPV-UHFFFAOYSA-N 0 0 308.813 3.158 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cccnc1N1CCCC1 ZINC000826899916 628901437 /nfs/dbraw/zinc/90/14/37/628901437.db2.gz ZIRQHWRYYONAKH-UHFFFAOYSA-N 0 0 317.820 3.331 20 10 DGCDRN Cc1ccc(N)cc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000827005180 628912189 /nfs/dbraw/zinc/91/21/89/628912189.db2.gz RQIWYOZRMABDKY-UHFFFAOYSA-N 0 0 309.413 3.107 20 10 DGCDRN C/C(=C\C(=O)N1CC(C)(C)Oc2ccccc21)c1cnccn1 ZINC000827276787 628944631 /nfs/dbraw/zinc/94/46/31/628944631.db2.gz PTVNDQRWFSSKMV-JLHYYAGUSA-N 0 0 309.369 3.084 20 10 DGCDRN Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2cccc(Cl)c2[O-])cn1 ZINC000827322055 628949232 /nfs/dbraw/zinc/94/92/32/628949232.db2.gz STIHDXIJTCFBJL-CJNGLKHVSA-N 0 0 319.836 3.280 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000827648599 628979474 /nfs/dbraw/zinc/97/94/74/628979474.db2.gz BSDFXYNJGAQPOR-UHFFFAOYSA-N 0 0 305.752 3.076 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCC1SCCS1 ZINC000827674835 628982200 /nfs/dbraw/zinc/98/22/00/628982200.db2.gz UWWGGUDGMBTCRY-UHFFFAOYSA-N 0 0 307.843 3.471 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1CCO[C@@H](CC(F)(F)F)C1 ZINC000827785950 628991138 /nfs/dbraw/zinc/99/11/38/628991138.db2.gz FBJSXKUTXZDQFV-HNNXBMFYSA-N 0 0 316.367 3.214 20 10 DGCDRN C[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1O ZINC000827923476 629003897 /nfs/dbraw/zinc/00/38/97/629003897.db2.gz RNBNKIAAEGDQML-CYBMUJFWSA-N 0 0 324.380 3.010 20 10 DGCDRN CCc1c(C(=O)N[C@H](C)c2ccccc2O)[nH]c(C)c1C(C)=O ZINC000827930953 629004700 /nfs/dbraw/zinc/00/47/00/629004700.db2.gz WGGJILIEQDHZNJ-SNVBAGLBSA-N 0 0 314.385 3.285 20 10 DGCDRN Cc1noc(Cl)c1CCC(=O)N[C@H](C)c1ccccc1O ZINC000827930139 629004877 /nfs/dbraw/zinc/00/48/77/629004877.db2.gz CNZQPCIOCITRKZ-SECBINFHSA-N 0 0 308.765 3.152 20 10 DGCDRN CCCN(Cc1nc(C(=O)OC)cs1)Cc1ccccc1O ZINC000827938001 629005268 /nfs/dbraw/zinc/00/52/68/629005268.db2.gz GMWAYHRFDCKBKN-UHFFFAOYSA-N 0 0 320.414 3.048 20 10 DGCDRN CC(C)c1nn(C)c(Cl)c1C(=O)N[C@H](C)c1ccccc1O ZINC000827937156 629005352 /nfs/dbraw/zinc/00/53/52/629005352.db2.gz MEVNQPFMLRAONI-SNVBAGLBSA-N 0 0 321.808 3.394 20 10 DGCDRN CC(C)Oc1cccc(C(=O)N[C@H](C)c2ccccc2O)n1 ZINC000827940385 629006035 /nfs/dbraw/zinc/00/60/35/629006035.db2.gz CRYMREDIRZYBQA-GFCCVEGCSA-N 0 0 300.358 3.065 20 10 DGCDRN C[C@@H](NC(=O)c1noc2c1CCCCC2)c1ccccc1O ZINC000827940603 629006070 /nfs/dbraw/zinc/00/60/70/629006070.db2.gz GHLUXJSPWOOVSD-LLVKDONJSA-N 0 0 300.358 3.140 20 10 DGCDRN CCSCc1cc(C(=O)N[C@H](C)c2ccccc2O)no1 ZINC000827941664 629006148 /nfs/dbraw/zinc/00/61/48/629006148.db2.gz VEJVYSUPZAXBMR-SNVBAGLBSA-N 0 0 306.387 3.124 20 10 DGCDRN C[C@@H](NC(=O)c1nnc(C(C)(C)C)s1)c1ccccc1O ZINC000827947002 629006459 /nfs/dbraw/zinc/00/64/59/629006459.db2.gz XYKIIZWZLAQCOA-SECBINFHSA-N 0 0 305.403 3.032 20 10 DGCDRN CC1CCC(O)(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000827948165 629007336 /nfs/dbraw/zinc/00/73/36/629007336.db2.gz HBAMZYSJOXYYCK-UHFFFAOYSA-N 0 0 301.789 3.216 20 10 DGCDRN COc1ccc2c(c1)CC[C@H]2C(=O)N[C@@H](C)c1ccccc1O ZINC000827956597 629007750 /nfs/dbraw/zinc/00/77/50/629007750.db2.gz NLWARPBJEGBQAH-YVEFUNNKSA-N 0 0 311.381 3.308 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc2c(c1)CCOC2 ZINC000827956081 629007820 /nfs/dbraw/zinc/00/78/20/629007820.db2.gz NRGQGEUSKSLZTE-UHFFFAOYSA-N 0 0 324.424 3.064 20 10 DGCDRN C[C@@H](NC(=O)c1cccc2c1OCCCO2)c1ccccc1O ZINC000827952570 629007839 /nfs/dbraw/zinc/00/78/39/629007839.db2.gz XRQLVFJYAUALOO-GFCCVEGCSA-N 0 0 313.353 3.045 20 10 DGCDRN C[C@H](NC(=O)[C@@H]1CCN(C)c2ccccc21)c1ccccc1O ZINC000827959601 629008080 /nfs/dbraw/zinc/00/80/80/629008080.db2.gz CCGKXASMMMMYDO-XJKSGUPXSA-N 0 0 310.397 3.193 20 10 DGCDRN CC(C)n1ncc(C(=O)N[C@H](C)c2ccccc2O)c1Cl ZINC000827957330 629008177 /nfs/dbraw/zinc/00/81/77/629008177.db2.gz UCXOWNYJVAMPDE-SNVBAGLBSA-N 0 0 307.781 3.314 20 10 DGCDRN C[C@H](NC(=O)C1CCC(C(C)(C)O)CC1)c1ccccc1O ZINC000827960167 629008312 /nfs/dbraw/zinc/00/83/12/629008312.db2.gz KQUKNTAIQVTQQZ-HSBZDZAISA-N 0 0 305.418 3.147 20 10 DGCDRN CC(C)[C@@H](C(=O)N[C@@H](C)c1ccccc1O)C(=O)OC(C)(C)C ZINC000827960539 629008377 /nfs/dbraw/zinc/00/83/77/629008377.db2.gz QTEWSYGSSUCRMQ-WFASDCNBSA-N 0 0 321.417 3.183 20 10 DGCDRN Cc1noc(C)c1C(C)(C)C(=O)N[C@@H](C)c1ccccc1O ZINC000827964378 629008956 /nfs/dbraw/zinc/00/89/56/629008956.db2.gz MRJZSFZFEUZZLH-JTQLQIEISA-N 0 0 302.374 3.152 20 10 DGCDRN CC(C)c1cc(C(=O)N[C@@H](C)c2ccccc2O)cc(=O)[nH]1 ZINC000827968995 629009231 /nfs/dbraw/zinc/00/92/31/629009231.db2.gz DSFXOQXHTMNRCE-NSHDSACASA-N 0 0 300.358 3.107 20 10 DGCDRN Cc1cccnc1C(F)(F)C(=O)N[C@@H](C)c1ccccc1O ZINC000827968894 629009237 /nfs/dbraw/zinc/00/92/37/629009237.db2.gz CFOFZPBHBRNTBH-NSHDSACASA-N 0 0 306.312 3.065 20 10 DGCDRN C[C@H](NC(=O)[C@@H]1C[C@@]12CCc1ccccc12)c1ccccc1O ZINC000827973036 629009790 /nfs/dbraw/zinc/00/97/90/629009790.db2.gz GVJBVTJWEPYDJL-QKMWGZLOSA-N 0 0 307.393 3.474 20 10 DGCDRN Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@@H](C)c1ccccc1O ZINC000827973167 629009808 /nfs/dbraw/zinc/00/98/08/629009808.db2.gz JKYWWTYSLBYYRR-MNOVXSKESA-N 0 0 301.390 3.103 20 10 DGCDRN COc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000827982357 629011185 /nfs/dbraw/zinc/01/11/85/629011185.db2.gz USHHPBXUKIXQLI-QWHCGFSZSA-N 0 0 315.369 3.046 20 10 DGCDRN CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2O)cc1OC ZINC000827987004 629012100 /nfs/dbraw/zinc/01/21/00/629012100.db2.gz WJLFLJRRQFAQFZ-LBPRGKRZSA-N 0 0 315.369 3.291 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCC2CCC(F)CC2)c1 ZINC000828389098 629049941 /nfs/dbraw/zinc/04/99/41/629049941.db2.gz FBGVAUDSQDMOFI-HIFPTAJRSA-N 0 0 324.396 3.289 20 10 DGCDRN C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1)c1ccccc1O ZINC000828539653 629064280 /nfs/dbraw/zinc/06/42/80/629064280.db2.gz SEZVTTLBLYSHBY-DOPJRALCSA-N 0 0 324.424 3.439 20 10 DGCDRN C[C@@H](NC(=O)C1(C)CCC(=O)CC1)c1ccc(N(C)C)cc1 ZINC000829818012 629197687 /nfs/dbraw/zinc/19/76/87/629197687.db2.gz TZHMPWHAZAVUKU-CYBMUJFWSA-N 0 0 302.418 3.079 20 10 DGCDRN CCOc1ccc(O)c(C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1 ZINC000830085388 629223747 /nfs/dbraw/zinc/22/37/47/629223747.db2.gz VRXSHUOWUWSTFA-RCBQFDQVSA-N 0 0 319.401 3.009 20 10 DGCDRN Cc1cncc([C@@H]2CCCN2C(=O)c2ccc(C)c(O)c2O)c1 ZINC000830472828 629274371 /nfs/dbraw/zinc/27/43/71/629274371.db2.gz UEBSFOCWRSHRNU-HNNXBMFYSA-N 0 0 312.369 3.087 20 10 DGCDRN CO[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)C1CCCC1 ZINC000830559526 629284226 /nfs/dbraw/zinc/28/42/26/629284226.db2.gz QDAVEWIJWTXBTR-SFHVURJKSA-N 0 0 317.429 3.092 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc2c(c1)CCN2 ZINC000830597824 629286821 /nfs/dbraw/zinc/28/68/21/629286821.db2.gz SXKNOQRAUCCDHN-UHFFFAOYSA-N 0 0 322.408 3.169 20 10 DGCDRN CC1(C)CC[C@@H]1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000830899530 629318723 /nfs/dbraw/zinc/31/87/23/629318723.db2.gz GNQPFGYWYXHEAH-HZPDHXFCSA-N 0 0 317.429 3.336 20 10 DGCDRN Nc1ccc(CC(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000831447635 629378517 /nfs/dbraw/zinc/37/85/17/629378517.db2.gz AVFUNFGQJADSRN-QFBILLFUSA-N 0 0 324.424 3.095 20 10 DGCDRN COc1ccc(N(Cc2ccc(C(N)=O)cc2)CC2CC2)cc1 ZINC000831583121 629393397 /nfs/dbraw/zinc/39/33/97/629393397.db2.gz PULPVQJYDLZGCD-UHFFFAOYSA-N 0 0 310.397 3.211 20 10 DGCDRN Nc1ccc(CC(=O)N(Cc2c(F)cccc2F)C2CC2)cc1 ZINC000832021977 629436039 /nfs/dbraw/zinc/43/60/39/629436039.db2.gz XUUOMSVFXREBSH-UHFFFAOYSA-N 0 0 316.351 3.281 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cccnc1F ZINC000832096685 629441710 /nfs/dbraw/zinc/44/17/10/629441710.db2.gz OHNGVGHYNPFFDT-UHFFFAOYSA-N 0 0 303.337 3.370 20 10 DGCDRN Cc1cc(C[N@@H+]2CC[C@@](C)(C(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC000832883638 629528043 /nfs/dbraw/zinc/52/80/43/629528043.db2.gz XLXSUSCXRHFASE-GOSISDBHSA-N 0 0 305.418 3.295 20 10 DGCDRN COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000833733993 629644336 /nfs/dbraw/zinc/64/43/36/629644336.db2.gz YGWHOACSIKRCSY-JTQLQIEISA-N 0 0 319.332 3.089 20 10 DGCDRN COc1ccc(O)c([C@H](C)[NH2+][C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000833734029 629644475 /nfs/dbraw/zinc/64/44/75/629644475.db2.gz ZTVKOONQUVNROE-QFYYESIMSA-N 0 0 319.332 3.016 20 10 DGCDRN COC(=O)c1cnc(SC[C@H](O)[C@H](C)c2ccccc2)s1 ZINC000834382645 629702436 /nfs/dbraw/zinc/70/24/36/629702436.db2.gz OJLDZTUCCGAZNY-PWSUYJOCSA-N 0 0 323.439 3.186 20 10 DGCDRN CCN1C(=O)/C(=C\c2c[nH]c(C(F)(F)F)c2)SC1=S ZINC000834398505 629704872 /nfs/dbraw/zinc/70/48/72/629704872.db2.gz LXDUVXKTIYBMRD-XVNBXDOJSA-N 0 0 306.334 3.255 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCC(F)(C3CC3)CC2)cc1 ZINC000834560615 629728603 /nfs/dbraw/zinc/72/86/03/629728603.db2.gz JVZKOPPBEAKAFI-UHFFFAOYSA-N 0 0 318.352 3.203 20 10 DGCDRN COCCN(Cc1cc(C(C)(C)C)cc(O)c1O)CC(F)F ZINC000101539781 629731693 /nfs/dbraw/zinc/73/16/93/629731693.db2.gz OIVGFYQFILICGB-UHFFFAOYSA-N 0 0 317.376 3.109 20 10 DGCDRN CCN(Cc1cc2c(cc1O)OCO2)Cc1c(F)cccc1F ZINC000101538524 629731765 /nfs/dbraw/zinc/73/17/65/629731765.db2.gz DHIGPTOPEYFEAQ-UHFFFAOYSA-N 0 0 321.323 3.421 20 10 DGCDRN COCCn1ncc2ccc(N[C@@H]3CCc4cccc(O)c43)cc21 ZINC000834748261 629773000 /nfs/dbraw/zinc/77/30/00/629773000.db2.gz RBZLBGDZXYVRTI-MRXNPFEDSA-N 0 0 323.396 3.488 20 10 DGCDRN C[C@H]([NH2+]CCCC1CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834818200 629783937 /nfs/dbraw/zinc/78/39/37/629783937.db2.gz IBOCBOKMARYEFN-LBPRGKRZSA-N 0 0 308.378 3.158 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCn2ccnc21)c1cccc(C(F)(F)F)c1[O-] ZINC000834831540 629786057 /nfs/dbraw/zinc/78/60/57/629786057.db2.gz JUXLDMKATUXMNN-JOYOIKCWSA-N 0 0 311.307 3.403 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1CCCC1(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834887021 629797757 /nfs/dbraw/zinc/79/77/57/629797757.db2.gz XOWSNIUFRCTVFF-NXEZZACHSA-N 0 0 300.305 3.386 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1CCCC1(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834887029 629797801 /nfs/dbraw/zinc/79/78/01/629797801.db2.gz XOWSNIUFRCTVFF-ZJUUUORDSA-N 0 0 300.305 3.386 20 10 DGCDRN COCC(COC)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000834893183 629800235 /nfs/dbraw/zinc/80/02/35/629800235.db2.gz TZBXVWJWCRVAKK-MRVPVSSYSA-N 0 0 308.205 3.011 20 10 DGCDRN CC[C@@H]([NH2+][C@H](C)CC(=O)NC)c1ccc(Cl)c(Cl)c1[O-] ZINC000834898927 629801779 /nfs/dbraw/zinc/80/17/79/629801779.db2.gz CECOXCIRNDDCKH-LDYMZIIASA-N 0 0 319.232 3.264 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](O)C1CCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000834906676 629804620 /nfs/dbraw/zinc/80/46/20/629804620.db2.gz RTMNJWGRXZEFAJ-TVQRCGJNSA-N 0 0 303.324 3.223 20 10 DGCDRN CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000834905235 629804654 /nfs/dbraw/zinc/80/46/54/629804654.db2.gz USLFBSBJAGMGHQ-REAQECSSSA-N 0 0 320.216 3.154 20 10 DGCDRN C[C@@H]([NH2+]CC(C)(C)C1(O)CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834906299 629804923 /nfs/dbraw/zinc/80/49/23/629804923.db2.gz OMGIJYAKPIMDLU-GFCCVEGCSA-N 0 0 322.405 3.282 20 10 DGCDRN C[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1cc(Cl)c(Cl)cc1[O-] ZINC000834908563 629806152 /nfs/dbraw/zinc/80/61/52/629806152.db2.gz KLBNURUBPAKJNN-CLAHSXSESA-N 0 0 317.216 3.018 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C2CC2)C2CCC2)c1 ZINC000834910606 629806591 /nfs/dbraw/zinc/80/65/91/629806591.db2.gz ILFFLLZRTNIWRU-PIGZYNQJSA-N 0 0 303.402 3.408 20 10 DGCDRN CC[C@@H]([NH2+]CCc1cnc(C)cn1)c1cccc(Cl)c1[O-] ZINC000834910711 629806915 /nfs/dbraw/zinc/80/69/15/629806915.db2.gz YFIQRZPVHWTESC-OAHLLOKOSA-N 0 0 305.809 3.427 20 10 DGCDRN Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1C ZINC000834916443 629808267 /nfs/dbraw/zinc/80/82/67/629808267.db2.gz YUAZMYYJKJOXHB-PBHICJAKSA-N 0 0 317.404 3.402 20 10 DGCDRN CCC(C)(C)OCC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000834916354 629808326 /nfs/dbraw/zinc/80/83/26/629808326.db2.gz WJTSOLBXWPOSCZ-LBPRGKRZSA-N 0 0 309.406 3.035 20 10 DGCDRN CCC[C@](C)(NC/C=C\c1ccc(N(C)C)cc1)C(=O)OC ZINC000835033867 629829692 /nfs/dbraw/zinc/82/96/92/629829692.db2.gz YEHITAUPFURQDU-ZEVQVBBLSA-N 0 0 304.434 3.087 20 10 DGCDRN CC(C)c1nnc([C@H](C)NCC=Cc2ccc(N(C)C)cc2)[nH]1 ZINC000835042388 629832631 /nfs/dbraw/zinc/83/26/31/629832631.db2.gz UXFCWJXEJUYTRC-AFNCTOJWSA-N 0 0 313.449 3.358 20 10 DGCDRN COC[C@H](C)n1ccc(NC/C=C\c2ccc(N(C)C)cc2)n1 ZINC000835047191 629834390 /nfs/dbraw/zinc/83/43/90/629834390.db2.gz ZZSZCTDNJZKLNO-YVACAVLKSA-N 0 0 314.433 3.282 20 10 DGCDRN Cc1cnc(CC[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC000835061456 629841414 /nfs/dbraw/zinc/84/14/14/629841414.db2.gz LFQUEUSSKKPSOQ-UHFFFAOYSA-N 0 0 312.200 3.130 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)cc1 ZINC000836237111 630088169 /nfs/dbraw/zinc/08/81/69/630088169.db2.gz WILXXKWPNUWSQE-MSOLQXFVSA-N 0 0 313.445 3.083 20 10 DGCDRN CCN(Cc1ccoc1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000102436345 630106197 /nfs/dbraw/zinc/10/61/97/630106197.db2.gz RFZXCXJBXMTODI-UHFFFAOYSA-N 0 0 301.390 3.077 20 10 DGCDRN CCO[C@@H]1CCC[C@H]1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000836406512 630110221 /nfs/dbraw/zinc/11/02/21/630110221.db2.gz UCMCICOWFPAJFO-IAOVAPTHSA-N 0 0 319.449 3.070 20 10 DGCDRN Cc1ccnc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000836406418 630110242 /nfs/dbraw/zinc/11/02/42/630110242.db2.gz RLLKLCRQKMIGLH-CQSZACIVSA-N 0 0 312.417 3.016 20 10 DGCDRN CC(C)[C@@H]1C[C@H]1CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000836621633 630142572 /nfs/dbraw/zinc/14/25/72/630142572.db2.gz OWMFELCRUXRCAJ-RDJZCZTQSA-N 0 0 303.450 3.186 20 10 DGCDRN CC[C@H](NC(=O)c1sccc1-n1c(C)ccc1C)[C@H](C)O ZINC000836860831 630175296 /nfs/dbraw/zinc/17/52/96/630175296.db2.gz NMLKUPLNQSSAOT-STQMWFEESA-N 0 0 306.431 3.045 20 10 DGCDRN CCC(C)(C)OCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000837333698 630241939 /nfs/dbraw/zinc/24/19/39/630241939.db2.gz CNWJCGMXKPRFOT-UHFFFAOYSA-N 0 0 318.461 3.449 20 10 DGCDRN C[C@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1CCC1 ZINC000837490742 630266160 /nfs/dbraw/zinc/26/61/60/630266160.db2.gz KPAAOELBQMCWOS-WMLDXEAASA-N 0 0 317.429 3.336 20 10 DGCDRN C[C@]1(COC(=O)/C=C\c2ccc(O)c(O)c2)CC1(Cl)Cl ZINC000837588640 630280705 /nfs/dbraw/zinc/28/07/05/630280705.db2.gz SQINNUYPKOUOTP-HSBHDXMMSA-N 0 0 317.168 3.238 20 10 DGCDRN C[N@@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])CC1CC1 ZINC000102885157 630302127 /nfs/dbraw/zinc/30/21/27/630302127.db2.gz QPWRNQXFZOMWIY-UHFFFAOYSA-N 0 0 311.381 3.171 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)CC(F)(F)F)c1 ZINC000840870835 630369524 /nfs/dbraw/zinc/36/95/24/630369524.db2.gz AHHDFHRTRWRMGR-NXEZZACHSA-N 0 0 319.323 3.418 20 10 DGCDRN CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1c(O)cc(C)cc1Cl ZINC000840912464 630376610 /nfs/dbraw/zinc/37/66/10/630376610.db2.gz OLZYTMDIUQXMKE-OAHLLOKOSA-N 0 0 324.852 3.187 20 10 DGCDRN Cc1cc(O)c(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c(Cl)c1 ZINC000840911137 630376767 /nfs/dbraw/zinc/37/67/67/630376767.db2.gz QQTLBSURCCPKNF-LBPRGKRZSA-N 0 0 305.809 3.457 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)OCC(F)(F)F ZINC000840929993 630379341 /nfs/dbraw/zinc/37/93/41/630379341.db2.gz FJWHNXURLCKQQD-NSHDSACASA-N 0 0 318.339 3.281 20 10 DGCDRN Cc1cc(NCc2ccc(N(C)C)cc2C)cc(OCCO)c1 ZINC000840941097 630381441 /nfs/dbraw/zinc/38/14/41/630381441.db2.gz RPPYXQPDLBMGOI-UHFFFAOYSA-N 0 0 314.429 3.353 20 10 DGCDRN Cc1cc(O)c(CN(C)Cc2nncn2C(C)C)c(Cl)c1 ZINC000840949912 630383647 /nfs/dbraw/zinc/38/36/47/630383647.db2.gz FYISKGHXJUHOBO-UHFFFAOYSA-N 0 0 308.813 3.158 20 10 DGCDRN C[C@H](C(=O)OC(C)(C)C)N(Cc1cc(F)ccc1O)C1CC1 ZINC000840958734 630386440 /nfs/dbraw/zinc/38/64/40/630386440.db2.gz RQCATWYLMLXVDW-LLVKDONJSA-N 0 0 309.381 3.226 20 10 DGCDRN CN(C)c1ccc(/C=C/CNc2cccc3c2CCNC3=O)cc1 ZINC000840973925 630389330 /nfs/dbraw/zinc/38/93/30/630389330.db2.gz RUIFGLCFVLBSTP-SNAWJCMRSA-N 0 0 321.424 3.164 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000840997575 630393050 /nfs/dbraw/zinc/39/30/50/630393050.db2.gz XLTGDCVDVFOQKI-INIZCTEOSA-N 0 0 304.434 3.220 20 10 DGCDRN CCCCC[C@@H](NC(=O)C(=O)Nc1ccc(N)cc1)C(C)(C)C ZINC000841038288 630399944 /nfs/dbraw/zinc/39/99/44/630399944.db2.gz IRVCXBGSNQKGTF-OAHLLOKOSA-N 0 0 319.449 3.319 20 10 DGCDRN Cn1nc(C(F)(F)F)c(CNc2ccc(N)cc2)c1Cl ZINC000841040722 630400382 /nfs/dbraw/zinc/40/03/82/630400382.db2.gz YEMCIEAIQYPDEK-UHFFFAOYSA-N 0 0 304.703 3.287 20 10 DGCDRN C[C@@H]1CN(Cc2cccc(F)c2O)c2cc(F)ccc2C[NH2+]1 ZINC000841046458 630401792 /nfs/dbraw/zinc/40/17/92/630401792.db2.gz BDLWHSVYOUSTSN-LLVKDONJSA-N 0 0 304.340 3.169 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000841101179 630407914 /nfs/dbraw/zinc/40/79/14/630407914.db2.gz RATZCOYAEMSDPQ-MRXNPFEDSA-N 0 0 320.795 3.331 20 10 DGCDRN CCC1(CC)CCCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1 ZINC000841114767 630409392 /nfs/dbraw/zinc/40/93/92/630409392.db2.gz WKIHJCWUMWDINF-UHFFFAOYSA-N 0 0 317.433 3.026 20 10 DGCDRN CCCc1cnc(NC(=O)NCCc2ccc(N)cc2)s1 ZINC000841173630 630413794 /nfs/dbraw/zinc/41/37/94/630413794.db2.gz LXAKMLFMUQYQTG-UHFFFAOYSA-N 0 0 304.419 3.042 20 10 DGCDRN Nc1ccc(NC(=O)N2CC[C@@H](COc3ccccc3)C2)cc1 ZINC000841295950 630424070 /nfs/dbraw/zinc/42/40/70/630424070.db2.gz KMOMQMDSBWXOAT-CQSZACIVSA-N 0 0 311.385 3.202 20 10 DGCDRN Nc1ccc(NC(=O)NCc2ccccc2N2CCCC2)cc1 ZINC000841297524 630424667 /nfs/dbraw/zinc/42/46/67/630424667.db2.gz SAZLHCACXUHBEA-UHFFFAOYSA-N 0 0 310.401 3.191 20 10 DGCDRN Nc1ccc(NC(=O)NC[C@H]2CC[C@H](c3ccccc3)O2)cc1 ZINC000841299285 630424919 /nfs/dbraw/zinc/42/49/19/630424919.db2.gz IDGOKTDOINKDLK-IAGOWNOFSA-N 0 0 311.385 3.311 20 10 DGCDRN C[C@@H](NC(=O)Nc1ccc(N)cc1)[C@@H]1OCCc2sccc21 ZINC000841299295 630424923 /nfs/dbraw/zinc/42/49/23/630424923.db2.gz IUNDGNQFWVRFSY-BMIGLBTASA-N 0 0 317.414 3.154 20 10 DGCDRN CN(Cc1nc2c(s1)CCCC2)C(=O)Nc1ccc(N)cc1 ZINC000841301085 630425086 /nfs/dbraw/zinc/42/50/86/630425086.db2.gz ZNTNJBZJTWLXIM-UHFFFAOYSA-N 0 0 316.430 3.268 20 10 DGCDRN Cc1ccc(N)cc1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841320607 630428385 /nfs/dbraw/zinc/42/83/85/630428385.db2.gz NDFYJKBDRQMJKU-UHFFFAOYSA-N 0 0 324.428 3.499 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1nc2c(s1)CCC2 ZINC000841406405 630436355 /nfs/dbraw/zinc/43/63/55/630436355.db2.gz YTTGGJLWJGWDSH-UHFFFAOYSA-N 0 0 316.426 3.390 20 10 DGCDRN Cc1nocc1/C=C1\SC(=S)N(C(C2CC2)C2CC2)C1=O ZINC000841498746 630442482 /nfs/dbraw/zinc/44/24/82/630442482.db2.gz UPIOHHYYTQAGAQ-SDQBBNPISA-N 0 0 320.439 3.373 20 10 DGCDRN CC[C@H](NC(=O)NCc1ccc(OC)cc1O)[C@H]1CC1(C)C ZINC000841594096 630446924 /nfs/dbraw/zinc/44/69/24/630446924.db2.gz PSVFOACLQULIRF-KGLIPLIRSA-N 0 0 306.406 3.025 20 10 DGCDRN COc1ccc(CNC(=O)N[C@H]2CCC[C@@H]2C(C)(C)C)c(O)c1 ZINC000841590475 630447082 /nfs/dbraw/zinc/44/70/82/630447082.db2.gz OTJUAUJXYRMVAW-GJZGRUSLSA-N 0 0 320.433 3.415 20 10 DGCDRN C[C@@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1ccc(Cl)cc1[O-] ZINC000841746156 630461791 /nfs/dbraw/zinc/46/17/91/630461791.db2.gz VTFCMXUZBUEGBE-LLVKDONJSA-N 0 0 322.836 3.097 20 10 DGCDRN COc1ccc(C[NH2+][C@@H](CC(=O)[O-])Cc2ccccc2)cc1C ZINC000841800195 630466252 /nfs/dbraw/zinc/46/62/52/630466252.db2.gz IVMAHHQZXJYDCH-QGZVFWFLSA-N 0 0 313.397 3.179 20 10 DGCDRN CCCN(CCC)c1ccc(C[NH2+][C@@H](C(=O)[O-])C2CC2)cc1 ZINC000841809032 630466758 /nfs/dbraw/zinc/46/67/58/630466758.db2.gz ROKRSGGDLAZQGQ-QGZVFWFLSA-N 0 0 304.434 3.266 20 10 DGCDRN Nc1ccc(CCNC(=O)NCC[C@H]2CCc3ccccc32)cc1 ZINC000841907937 630475255 /nfs/dbraw/zinc/47/52/55/630475255.db2.gz UFWBTZMZPGROKR-QGZVFWFLSA-N 0 0 323.440 3.231 20 10 DGCDRN C[C@]1(c2ccccc2)CCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841957184 630476884 /nfs/dbraw/zinc/47/68/84/630476884.db2.gz GIICQIVMOJSACH-FQEVSTJZSA-N 0 0 323.440 3.185 20 10 DGCDRN CC(C)(C)C1=CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841960818 630477276 /nfs/dbraw/zinc/47/72/76/630477276.db2.gz XOHJPMLYEFFPPN-UHFFFAOYSA-N 0 0 301.434 3.199 20 10 DGCDRN CC(C)(C)[C@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841960219 630477281 /nfs/dbraw/zinc/47/72/81/630477281.db2.gz YGBUDLNMVRNIRE-HNNXBMFYSA-N 0 0 303.450 3.279 20 10 DGCDRN CC[C@H](NC(=O)NCc1cc(OC)ccc1O)[C@H]1CC1(C)C ZINC000842180487 630503501 /nfs/dbraw/zinc/50/35/01/630503501.db2.gz OZWDDMXACJLVGU-KGLIPLIRSA-N 0 0 306.406 3.025 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)[C@@H](C)CSC)C2)cc1 ZINC000842880108 630588486 /nfs/dbraw/zinc/58/84/86/630588486.db2.gz YJFORLVFZSBWGR-UONOGXRCSA-N 0 0 323.458 3.064 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)/C=C/C3CC3)C2)cc1 ZINC000842880027 630588730 /nfs/dbraw/zinc/58/87/30/630588730.db2.gz VPZSMLOHALLMGB-ULYATVDSSA-N 0 0 301.386 3.031 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)[C@@H]3CC=CCC3)C2)cc1 ZINC000842880927 630589207 /nfs/dbraw/zinc/58/92/07/630589207.db2.gz HEISKASRVAQFFV-HZPDHXFCSA-N 0 0 315.413 3.421 20 10 DGCDRN COc1cccc(CNC(=O)Nc2cccc(C)c2C)c1O ZINC000104969514 630600396 /nfs/dbraw/zinc/60/03/96/630600396.db2.gz IHSUFUXQHXXAHF-UHFFFAOYSA-N 0 0 300.358 3.339 20 10 DGCDRN CCN(CC)c1ccc(C[NH+]2CCC(C)(C(=O)[O-])CC2)cc1 ZINC000843041730 630607002 /nfs/dbraw/zinc/60/70/02/630607002.db2.gz VDFPRVLGJWADFY-UHFFFAOYSA-N 0 0 304.434 3.220 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)cc1F ZINC000843303651 630644289 /nfs/dbraw/zinc/64/42/89/630644289.db2.gz CUARJOFHXIHCTF-LSDHHAIUSA-N 0 0 322.424 3.405 20 10 DGCDRN Cc1ccc(-c2nn(C)cc2C[N@H+](C)Cc2ccccc2O)o1 ZINC000843394611 630652134 /nfs/dbraw/zinc/65/21/34/630652134.db2.gz SMBURUFJEBWFRT-UHFFFAOYSA-N 0 0 311.385 3.326 20 10 DGCDRN Cc1cc(O)c(CN2CCO[C@@]3(CCSC3)C2)c(Cl)c1 ZINC000843420288 630655452 /nfs/dbraw/zinc/65/54/52/630655452.db2.gz BAAVHWHOWMEBMO-HNNXBMFYSA-N 0 0 313.850 3.062 20 10 DGCDRN CCC[N@H+](Cc1c([O-])ccc(Cl)c1F)[C@@H]1CCN(C)C1 ZINC000843423173 630656440 /nfs/dbraw/zinc/65/64/40/630656440.db2.gz YAMXKYSYBJORSR-LLVKDONJSA-N 0 0 300.805 3.101 20 10 DGCDRN COc1ccc2c(c1)C[C@@H](C)N(C(=O)Cc1ccc(N)cc1)[C@H]2C ZINC000843496126 630663124 /nfs/dbraw/zinc/66/31/24/630663124.db2.gz ZVQGQBIRZJORLN-KGLIPLIRSA-N 0 0 324.424 3.354 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCC[C@H]1C ZINC000105312008 630690267 /nfs/dbraw/zinc/69/02/67/630690267.db2.gz NCGDORPOSKARNB-PBHICJAKSA-N 0 0 303.450 3.473 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCC[C@H]1C1CC1 ZINC000843851881 630701960 /nfs/dbraw/zinc/70/19/60/630701960.db2.gz SVIYKVGPTXQDKY-KCXAZCMYSA-N 0 0 317.429 3.361 20 10 DGCDRN CC1(C)CCC[C@H]1[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1 ZINC000844033597 630707232 /nfs/dbraw/zinc/70/72/32/630707232.db2.gz PTWGKVAKJZDJHL-OCCSQVGLSA-N 0 0 303.402 3.386 20 10 DGCDRN CC(C)[C@@H]1N(C(=O)/C=C/c2ccc(O)c(O)c2)CC12CC=CC2 ZINC000844094861 630709016 /nfs/dbraw/zinc/70/90/16/630709016.db2.gz DHWPXMLTSHTROC-IWHGQQBYSA-N 0 0 313.397 3.314 20 10 DGCDRN Cc1cc(C(=O)N[C@H]2CO[C@@H](C)C2)c(C)n1-c1ccccc1C ZINC000844106273 630709473 /nfs/dbraw/zinc/70/94/73/630709473.db2.gz MLFVNSPYFCREQU-GOEBONIOSA-N 0 0 312.413 3.310 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2CO[C@@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000844105230 630709550 /nfs/dbraw/zinc/70/95/50/630709550.db2.gz IKNNUJSFSRWXNW-WFASDCNBSA-N 0 0 316.376 3.140 20 10 DGCDRN Cc1cc(C(=O)N[C@H]2CO[C@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000844104400 630709574 /nfs/dbraw/zinc/70/95/74/630709574.db2.gz DKGJDMDBZCHWHW-GDBMZVCRSA-N 0 0 312.413 3.310 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCCC[C@@H]1C1CCC1 ZINC000844124223 630710142 /nfs/dbraw/zinc/71/01/42/630710142.db2.gz RSKAKEVSMBACTE-WKTRQSJXSA-N 0 0 301.386 3.292 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)NC2CCCCC2)cc1 ZINC000844279169 630715486 /nfs/dbraw/zinc/71/54/86/630715486.db2.gz DUPQFJNUQBWBQS-UHFFFAOYSA-N 0 0 319.449 3.106 20 10 DGCDRN C[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])N(C)C1CC1 ZINC000105488023 630718343 /nfs/dbraw/zinc/71/83/43/630718343.db2.gz KNJSSMAYQQYBKK-SECBINFHSA-N 0 0 303.233 3.271 20 10 DGCDRN CCc1nc(NC(=O)CN(C)c2ccc(OC)cc2)sc1C ZINC000844353351 630720674 /nfs/dbraw/zinc/72/06/74/630720674.db2.gz SNZPHSCCYVZJQF-UHFFFAOYSA-N 0 0 319.430 3.097 20 10 DGCDRN COc1ccc(N(C)CCN(C)Cc2nc3ccccc3[nH]2)cc1 ZINC000844400301 630724624 /nfs/dbraw/zinc/72/46/24/630724624.db2.gz ZSWPNEVTKAYMLN-UHFFFAOYSA-N 0 0 324.428 3.140 20 10 DGCDRN CN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S ZINC000005319674 630741099 /nfs/dbraw/zinc/74/10/99/630741099.db2.gz OIUVCFWWHREQQF-RMKNXTFCSA-N 0 0 314.229 3.280 20 10 DGCDRN CC(C)[C@H](NC(=O)NCc1cc(Cl)ccc1O)C(F)(F)F ZINC000844645250 630746959 /nfs/dbraw/zinc/74/69/59/630746959.db2.gz QIYVHTHJHJRMLA-NSHDSACASA-N 0 0 324.730 3.432 20 10 DGCDRN C/C(=C/C(=O)N1CC(C)(C)c2ccc(F)cc21)c1cnccn1 ZINC000844826890 630918898 /nfs/dbraw/zinc/91/88/98/630918898.db2.gz XNSUEWFWDKAHMS-WQLSENKSSA-N 0 0 311.360 3.343 20 10 DGCDRN O=C([O-])C[N@H+](Cc1cc(-c2ccccc2)ccc1O)CC1CC1 ZINC000844934361 630990980 /nfs/dbraw/zinc/99/09/80/630990980.db2.gz CNMACJRJZZRNDP-UHFFFAOYSA-N 0 0 311.381 3.356 20 10 DGCDRN CC(C)(C)SCCNC(=O)NCc1cc(Cl)ccc1O ZINC000844948566 631000557 /nfs/dbraw/zinc/00/05/57/631000557.db2.gz CPPSVAFDDKWWJY-UHFFFAOYSA-N 0 0 316.854 3.377 20 10 DGCDRN CS[C@H]1CC[C@@H](NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000845011605 631033505 /nfs/dbraw/zinc/03/35/05/631033505.db2.gz DWCOECUOSWYSIA-NEPJUHHUSA-N 0 0 314.838 3.129 20 10 DGCDRN CC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)[C@H](C)CO1 ZINC000845125031 631086871 /nfs/dbraw/zinc/08/68/71/631086871.db2.gz KPUGBDOOLHZRDQ-CKEIUWERSA-N 0 0 319.449 3.023 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCCCCO1 ZINC000845261766 631157563 /nfs/dbraw/zinc/15/75/63/631157563.db2.gz OQVTXKZWKWINBG-OAHLLOKOSA-N 0 0 319.449 3.119 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCC[C@@]1(C)C[C@@]1(F)Cl ZINC000845411365 631172599 /nfs/dbraw/zinc/17/25/99/631172599.db2.gz ANVCQHSOPYGSKQ-GJZGRUSLSA-N 0 0 314.788 3.238 20 10 DGCDRN COc1ccc(CN(C)c2ccc(OC)c(OC)c2)c(F)c1 ZINC000845954782 631203485 /nfs/dbraw/zinc/20/34/85/631203485.db2.gz SOURJXSIERNRTH-UHFFFAOYSA-N 0 0 305.349 3.488 20 10 DGCDRN CCN(CC)c1ccc(C[NH+]2CCC(C3(O)CC3)CC2)cc1F ZINC000846009184 631205430 /nfs/dbraw/zinc/20/54/30/631205430.db2.gz UULXMZUTPODVPN-UHFFFAOYSA-N 0 0 320.452 3.409 20 10 DGCDRN Cc1cccc(CN(CC(=O)OC(C)(C)C)CC2CC2)c1O ZINC000846052927 631208242 /nfs/dbraw/zinc/20/82/42/631208242.db2.gz KQDPYBNUICBPNG-UHFFFAOYSA-N 0 0 305.418 3.254 20 10 DGCDRN C[C@@H](CO)C1CC[NH+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000846059081 631208934 /nfs/dbraw/zinc/20/89/34/631208934.db2.gz XSTCULYFQCPRIU-JTQLQIEISA-N 0 0 301.789 3.025 20 10 DGCDRN C[C@@H](COCC1CC1)[NH2+]Cc1cccc(Br)c1[O-] ZINC000846074001 631209228 /nfs/dbraw/zinc/20/92/28/631209228.db2.gz VDGZCHPGEVKKIH-JTQLQIEISA-N 0 0 314.223 3.059 20 10 DGCDRN CCOc1cccc(CN(C)[C@@H](CC)C(=O)OC(C)(C)C)c1O ZINC000846118862 631210820 /nfs/dbraw/zinc/21/08/20/631210820.db2.gz SJIMMAALKDZJBG-AWEZNQCLSA-N 0 0 323.433 3.343 20 10 DGCDRN O=C(NCc1cc(Br)ccc1O)[C@@H]1C[C@H]1C1CCC1 ZINC000846139432 631211468 /nfs/dbraw/zinc/21/14/68/631211468.db2.gz LVTNKZZQCSMUDM-QWHCGFSZSA-N 0 0 324.218 3.207 20 10 DGCDRN CN(C)c1ccc(C[N@@H+]2CCc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000846274409 631219244 /nfs/dbraw/zinc/21/92/44/631219244.db2.gz RWTWKZXLUKPWMA-UHFFFAOYSA-N 0 0 310.397 3.009 20 10 DGCDRN Cc1cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H]2C)ccc1N1CCCCC1 ZINC000846282726 631220726 /nfs/dbraw/zinc/22/07/26/631220726.db2.gz ASGAHTDIMMJNNF-WBVHZDCISA-N 0 0 316.445 3.280 20 10 DGCDRN Cc1cc(C[N@@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)ccc1N(C)C ZINC000846284800 631221476 /nfs/dbraw/zinc/22/14/76/631221476.db2.gz ORDCPDXQEUTEDP-INIZCTEOSA-N 0 0 318.461 3.384 20 10 DGCDRN Cc1c(C(=O)NCc2cc(Cl)ccc2O)cnn1C(C)(C)C ZINC000846473151 631249643 /nfs/dbraw/zinc/24/96/43/631249643.db2.gz PLFWGBISDLJKLB-UHFFFAOYSA-N 0 0 321.808 3.236 20 10 DGCDRN CCC[C@@H]1C[C@H](C(=O)NCc2cc(Cl)ccc2O)CCO1 ZINC000846472945 631249657 /nfs/dbraw/zinc/24/96/57/631249657.db2.gz GYBKROWZLLHXRU-BXUZGUMPSA-N 0 0 311.809 3.257 20 10 DGCDRN C[C@@H]1CCCC[C@@H]1OCC(=O)NCc1cc(Cl)ccc1O ZINC000846476336 631250334 /nfs/dbraw/zinc/25/03/34/631250334.db2.gz NQZPGTBSSPIVNT-ABAIWWIYSA-N 0 0 311.809 3.257 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1CC12CCSCC2 ZINC000846475643 631250391 /nfs/dbraw/zinc/25/03/91/631250391.db2.gz DLNAZAZYWPWUQC-GFCCVEGCSA-N 0 0 311.834 3.195 20 10 DGCDRN CCc1nccn1[C@H](C)CC(=O)NCc1cc(Cl)ccc1O ZINC000846475663 631250835 /nfs/dbraw/zinc/25/08/35/631250835.db2.gz DYMGSVSWLXKKJC-LLVKDONJSA-N 0 0 321.808 3.072 20 10 DGCDRN CC(C)Oc1cccnc1C(=O)NCc1cc(Cl)ccc1O ZINC000846477893 631251362 /nfs/dbraw/zinc/25/13/62/631251362.db2.gz WWAVLJUREQTGBO-UHFFFAOYSA-N 0 0 320.776 3.158 20 10 DGCDRN CCc1noc(CC)c1CC(=O)NCc1cc(Cl)ccc1O ZINC000846477501 631251366 /nfs/dbraw/zinc/25/13/66/631251366.db2.gz ULXVSFDXKTXIRN-UHFFFAOYSA-N 0 0 322.792 3.017 20 10 DGCDRN Cc1ccc2[nH]cc(CCC(=O)NCCc3ccc(N)cc3)c2c1 ZINC000846666944 631282141 /nfs/dbraw/zinc/28/21/41/631282141.db2.gz XMCPJDFEOSDCLB-UHFFFAOYSA-N 0 0 321.424 3.350 20 10 DGCDRN c1cc2c(c(NCc3ccc(N4CCOCC4)cc3)c1)OCC2 ZINC000846746265 631293312 /nfs/dbraw/zinc/29/33/12/631293312.db2.gz XPIVOFRRLOMCDF-UHFFFAOYSA-N 0 0 310.397 3.070 20 10 DGCDRN CCN(CC)c1ccc(CN(C)Cc2cc(C(C)=O)no2)cc1 ZINC000846765802 631299265 /nfs/dbraw/zinc/29/92/65/631299265.db2.gz DTORHUGORRVHHA-UHFFFAOYSA-N 0 0 315.417 3.355 20 10 DGCDRN CCN(CC)c1ccc(CN(C)[C@@H](C)c2nccc(N)n2)cc1 ZINC000846766624 631299618 /nfs/dbraw/zinc/29/96/18/631299618.db2.gz VCUMLYMRUMKPRP-AWEZNQCLSA-N 0 0 313.449 3.098 20 10 DGCDRN CCN(Cc1ccc2nonc2c1)c1ccc(OC)c(OC)c1 ZINC000846823609 631317945 /nfs/dbraw/zinc/31/79/45/631317945.db2.gz SHTIKNJRBBTATF-UHFFFAOYSA-N 0 0 313.357 3.267 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C(C)=C\c1cccnc1)C[C@H](C)O2 ZINC000846888210 631341445 /nfs/dbraw/zinc/34/14/45/631341445.db2.gz GUYLULXEYVLJBL-XXYUJHKVSA-N 0 0 324.380 3.308 20 10 DGCDRN C[C@H](NC(=O)c1ccn(C(C)(C)C)n1)c1ccc(N(C)C)cc1 ZINC000846976582 631371712 /nfs/dbraw/zinc/37/17/12/631371712.db2.gz GTUOPSBDSWTTGQ-ZDUSSCGKSA-N 0 0 314.433 3.195 20 10 DGCDRN C/C(=C/c1ccncc1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000846976819 631371755 /nfs/dbraw/zinc/37/17/55/631371755.db2.gz HKNOGDFOQGVCEZ-PLFFATQSSA-N 0 0 309.413 3.428 20 10 DGCDRN C/C(=C/c1cccnc1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000846977671 631371832 /nfs/dbraw/zinc/37/18/32/631371832.db2.gz KRAGWCPKXHOLAN-IKESIWSLSA-N 0 0 309.413 3.428 20 10 DGCDRN CN(CCCCS(C)(=O)=O)c1ccc(-c2nccs2)cc1 ZINC000846992694 631376215 /nfs/dbraw/zinc/37/62/15/631376215.db2.gz LSRCLSDLUKLCCC-UHFFFAOYSA-N 0 0 324.471 3.071 20 10 DGCDRN CCN(C)c1ccc(CN2Cc3ccccc3NC(=O)C2)cc1 ZINC000847043309 631388495 /nfs/dbraw/zinc/38/84/95/631388495.db2.gz LTEQFZQFKGJPFO-UHFFFAOYSA-N 0 0 309.413 3.097 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN(C)[C@H](C)c2nc(C)no2)c1O ZINC000847059932 631393850 /nfs/dbraw/zinc/39/38/50/631393850.db2.gz VRPPAHYDXNZGQB-MRVPVSSYSA-N 0 0 323.780 3.133 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC2(C)CC=CC2)cc1 ZINC000847292031 631454758 /nfs/dbraw/zinc/45/47/58/631454758.db2.gz LJNMETSRHHQEJM-UHFFFAOYSA-N 0 0 301.434 3.441 20 10 DGCDRN C/C(=C\c1cccnc1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000847303885 631456686 /nfs/dbraw/zinc/45/66/86/631456686.db2.gz DVJPXEULHGCPLS-NTCAYCPXSA-N 0 0 309.413 3.210 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)C[C@H]2OCc3ccccc32)cc1 ZINC000847304489 631456911 /nfs/dbraw/zinc/45/69/11/631456911.db2.gz SGKXMHJELXROFK-LJQANCHMSA-N 0 0 324.424 3.373 20 10 DGCDRN COc1ccc(CNC(=O)CCCc2ccc(F)cc2)c(O)c1 ZINC000848024232 631600240 /nfs/dbraw/zinc/60/02/40/631600240.db2.gz XLWISIMBHRROOF-UHFFFAOYSA-N 0 0 317.360 3.179 20 10 DGCDRN COc1cc(O)c(CN2Cc3cc(F)c(F)cc3C2)cc1OC ZINC000848499942 631670946 /nfs/dbraw/zinc/67/09/46/631670946.db2.gz SYALBPOHMGUIDC-UHFFFAOYSA-N 0 0 321.323 3.203 20 10 DGCDRN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CC23CC3)c1O ZINC000848553928 631691077 /nfs/dbraw/zinc/69/10/77/631691077.db2.gz RNBQOBXQODYQCL-PRHODGIISA-N 0 0 312.207 3.366 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CCc2ccccc2NC1=O)c1ccc(F)cc1[O-] ZINC000848558122 631691695 /nfs/dbraw/zinc/69/16/95/631691695.db2.gz JUODOSFDTFWGBD-BZNIZROVSA-N 0 0 314.360 3.135 20 10 DGCDRN C[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000848558895 631692170 /nfs/dbraw/zinc/69/21/70/631692170.db2.gz PMCIJMZQBHBMIT-YMRXKLBXSA-N 0 0 320.389 3.299 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCCO1 ZINC000848567909 631695741 /nfs/dbraw/zinc/69/57/41/631695741.db2.gz SLJGDGWLBLJDSX-PJODQICGSA-N 0 0 308.378 3.299 20 10 DGCDRN C[C@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)C(=O)OC(C)(C)C ZINC000848566277 631695896 /nfs/dbraw/zinc/69/58/96/631695896.db2.gz UCMIFUKBCAYPAZ-SECBINFHSA-N 0 0 317.788 3.252 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000848575019 631700207 /nfs/dbraw/zinc/70/02/07/631700207.db2.gz KSJJAOSNYFUUAW-ZIAGYGMSSA-N 0 0 312.816 3.291 20 10 DGCDRN CCc1cccc(CN2CCCC[C@H]2c2noc(C)n2)c1O ZINC000848884102 631770449 /nfs/dbraw/zinc/77/04/49/631770449.db2.gz XGEYMXRNAFUCLG-HNNXBMFYSA-N 0 0 301.390 3.373 20 10 DGCDRN CCc1cccc(CN2CCCC[C@@H]2c2noc(C)n2)c1O ZINC000848884103 631771153 /nfs/dbraw/zinc/77/11/53/631771153.db2.gz XGEYMXRNAFUCLG-OAHLLOKOSA-N 0 0 301.390 3.373 20 10 DGCDRN CCc1cccc(CN(C)Cc2nc(-c3cccnc3)no2)c1O ZINC000848887287 631771936 /nfs/dbraw/zinc/77/19/36/631771936.db2.gz SDCKGPYKGMNCLT-UHFFFAOYSA-N 0 0 324.384 3.032 20 10 DGCDRN CCc1cccc(CN[C@H]2COc3cc(F)cc(F)c32)c1O ZINC000848902076 631780126 /nfs/dbraw/zinc/78/01/26/631780126.db2.gz JPNQAMZADXQKSB-AWEZNQCLSA-N 0 0 305.324 3.456 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000107937956 631789594 /nfs/dbraw/zinc/78/95/94/631789594.db2.gz CXTAFYQIGLYEDX-ZDUSSCGKSA-N 0 0 306.406 3.046 20 10 DGCDRN Cc1noc([C@H](C)N(C)C/C=C\c2ccc(N(C)C)cc2)n1 ZINC000848925770 631791059 /nfs/dbraw/zinc/79/10/59/631791059.db2.gz JXURBNKEHPKTGL-FWWRYZNZSA-N 0 0 300.406 3.150 20 10 DGCDRN C[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])C(=O)OC(C)(C)C ZINC000848926140 631791368 /nfs/dbraw/zinc/79/13/68/631791368.db2.gz LRBXRSMOBISMKO-SECBINFHSA-N 0 0 317.788 3.252 20 10 DGCDRN CC(C)CCNC(=[NH2+])NCc1cc(Cl)cc(Cl)c1[O-] ZINC000849028769 631812710 /nfs/dbraw/zinc/81/27/10/631812710.db2.gz XWLQDWVQKCOYIA-UHFFFAOYSA-N 0 0 304.221 3.359 20 10 DGCDRN COc1ccc(C[NH2+]C2(C(=O)[O-])CCC(F)(F)CC2)cc1C ZINC000849232404 631859699 /nfs/dbraw/zinc/85/96/99/631859699.db2.gz YHRNUUHCGKHMCN-UHFFFAOYSA-N 0 0 313.344 3.126 20 10 DGCDRN Cc1cc(NC(=O)CCSc2ncc(Cl)s2)no1 ZINC000849999548 632024873 /nfs/dbraw/zinc/02/48/73/632024873.db2.gz UBQFJRROGLBZKG-UHFFFAOYSA-N 0 0 303.796 3.214 20 10 DGCDRN CC[C@@H]([NH2+]CC[C@H](COC)OC)c1cccc(Cl)c1[O-] ZINC000850487251 632167765 /nfs/dbraw/zinc/16/77/65/632167765.db2.gz YNBNVKRTBHMLTJ-BXUZGUMPSA-N 0 0 301.814 3.138 20 10 DGCDRN CC[C@H](COCC1CC1)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850495207 632171503 /nfs/dbraw/zinc/17/15/03/632171503.db2.gz YJHMJTHBOZVQCR-WCQYABFASA-N 0 0 308.378 3.156 20 10 DGCDRN C[C@@H](CN1CCC(C)CC1)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850542949 632188075 /nfs/dbraw/zinc/18/80/75/632188075.db2.gz DIEZKVGGCXKTMY-KBPBESRZSA-N 0 0 321.421 3.071 20 10 DGCDRN COC(=O)N(C)CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000850548352 632189189 /nfs/dbraw/zinc/18/91/89/632189189.db2.gz OZWCCOYJAZHNAP-QMMMGPOBSA-N 0 0 321.204 3.048 20 10 DGCDRN CC[C@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1ccc(F)cc1[O-] ZINC000850573453 632198239 /nfs/dbraw/zinc/19/82/39/632198239.db2.gz MBFXGLVOPNMGTQ-HNNXBMFYSA-N 0 0 322.424 3.398 20 10 DGCDRN COc1cccc(C2(NC(=O)Nc3ccc(N)cc3)CCC2)c1 ZINC000850749181 632213894 /nfs/dbraw/zinc/21/38/94/632213894.db2.gz CEJNQYXOMWZUIS-UHFFFAOYSA-N 0 0 311.385 3.478 20 10 DGCDRN COCc1noc(-c2cc(C)n(-c3ccc(OC)cc3)c2C)n1 ZINC000109603100 632252188 /nfs/dbraw/zinc/25/21/88/632252188.db2.gz JYBWQYAJOUXSSQ-UHFFFAOYSA-N 0 0 313.357 3.299 20 10 DGCDRN CCc1nnc(CN(Cc2ccco2)Cc2ccccc2O)o1 ZINC000109761320 632315600 /nfs/dbraw/zinc/31/56/00/632315600.db2.gz JMTSGBRDCKXMCS-UHFFFAOYSA-N 0 0 313.357 3.133 20 10 DGCDRN CCOCCNC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC000109986024 632405905 /nfs/dbraw/zinc/40/59/05/632405905.db2.gz MEEMVGPIEXRBTE-UHFFFAOYSA-N 0 0 300.402 3.169 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CCC[C@@H](C3CCC3)C2)cc1 ZINC000851664599 632468221 /nfs/dbraw/zinc/46/82/21/632468221.db2.gz GNWGKJIBXDAFCF-MRXNPFEDSA-N 0 0 301.434 3.033 20 10 DGCDRN COc1cc(N(C)C[C@H](OC)C2CCCC2)cc(OC)c1OC ZINC000851783281 632491529 /nfs/dbraw/zinc/49/15/29/632491529.db2.gz LYAMXAVNZBABES-KRWDZBQOSA-N 0 0 323.433 3.354 20 10 DGCDRN COc1ccc(N(C)Cc2nnc(C(F)(F)F)s2)cc1F ZINC000851808179 632499612 /nfs/dbraw/zinc/49/96/12/632499612.db2.gz LRUDNWGMSBOGMD-UHFFFAOYSA-N 0 0 321.299 3.341 20 10 DGCDRN COc1ccc(N(Cc2cccs2)C[C@H]2CCC(=O)O2)cc1 ZINC000851835994 632505553 /nfs/dbraw/zinc/50/55/53/632505553.db2.gz KOZUSAOPDFYIRP-OAHLLOKOSA-N 0 0 317.410 3.469 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CCCOc2ccccc2)cc1 ZINC000008171084 632545464 /nfs/dbraw/zinc/54/54/64/632545464.db2.gz QEVWQSIHFAPCPF-UHFFFAOYSA-N 0 0 312.413 3.228 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2C=CCC2)cc1F ZINC000852083454 632550530 /nfs/dbraw/zinc/55/05/30/632550530.db2.gz FUGJAJMAJVPANF-CQSZACIVSA-N 0 0 305.397 3.190 20 10 DGCDRN C[C@H](NC(=O)NC[C@@H]1CCC[C@@H](C)O1)c1ccc(N(C)C)cc1 ZINC000852261109 632578163 /nfs/dbraw/zinc/57/81/63/632578163.db2.gz KSCDXGWCKJMRAW-KEYYUXOJSA-N 0 0 319.449 3.070 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2C=CCC2)cc1 ZINC000852513057 632615297 /nfs/dbraw/zinc/61/52/97/632615297.db2.gz SPBJSVIFBFLTCN-INIZCTEOSA-N 0 0 301.434 3.393 20 10 DGCDRN COC1(C(=O)NCc2ccc3c(c2)CCCN3C)CCCCC1 ZINC000185193023 660206382 /nfs/dbraw/zinc/20/63/82/660206382.db2.gz ZUBRUIUOYVHSOD-UHFFFAOYSA-N 0 0 316.445 3.035 20 10 DGCDRN CC(C)OCCC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000173670598 659396626 /nfs/dbraw/zinc/39/66/26/659396626.db2.gz KPPCGCRCNPYULB-UHFFFAOYSA-N 0 0 317.385 3.329 20 10 DGCDRN COc1c(C)cc(S(=O)(=O)Nc2ccc(O)c(C)c2)cc1C ZINC000182476168 660056763 /nfs/dbraw/zinc/05/67/63/660056763.db2.gz CKNUMPIKQZZBEN-UHFFFAOYSA-N 0 0 321.398 3.127 20 10 DGCDRN CCCCO[C@H]1C[C@H](N(C)C(=O)c2cccc(O)c2O)C1(C)C ZINC000185791542 660242317 /nfs/dbraw/zinc/24/23/17/660242317.db2.gz UVJNNKZMMMWQJU-GJZGRUSLSA-N 0 0 321.417 3.154 20 10 DGCDRN COc1ccc(O)c([C@@H](C)Nc2cnn(Cc3ccccn3)c2)c1 ZINC000186390356 660380305 /nfs/dbraw/zinc/38/03/05/660380305.db2.gz QARRPICVBNGYEX-CYBMUJFWSA-N 0 0 324.384 3.214 20 10 DGCDRN CSc1ccccc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000186426739 660415218 /nfs/dbraw/zinc/41/52/18/660415218.db2.gz FYAVZADDUPQOAN-LLVKDONJSA-N 0 0 317.410 3.181 20 10 DGCDRN COC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000186776227 660574271 /nfs/dbraw/zinc/57/42/71/660574271.db2.gz LWBSPINMLFKSGD-NEPJUHHUSA-N 0 0 324.396 3.049 20 10 DGCDRN COc1ccc2cc(CNC(=O)c3cccc(O)c3O)ccc2c1 ZINC000186829849 660576629 /nfs/dbraw/zinc/57/66/29/660576629.db2.gz TYVODSGDZNBVFY-UHFFFAOYSA-N 0 0 323.348 3.190 20 10 DGCDRN C[C@H](NC(=O)c1cccc(O)c1O)c1ccc(OC(F)F)cc1 ZINC000186878832 660579386 /nfs/dbraw/zinc/57/93/86/660579386.db2.gz PRJSMOMPDZHQOU-VIFPVBQESA-N 0 0 323.295 3.190 20 10 DGCDRN Cc1nc(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)n(C)n1 ZINC000186915931 660586483 /nfs/dbraw/zinc/58/64/83/660586483.db2.gz LOMNGWHODSDSHT-UHFFFAOYSA-N 0 0 323.400 3.092 20 10 DGCDRN O=C(CSc1ccc(Cl)cc1)NCc1ccccc1O ZINC000701169198 660659459 /nfs/dbraw/zinc/65/94/59/660659459.db2.gz LUGKPNLTSZFHPQ-UHFFFAOYSA-N 0 0 307.802 3.454 20 10 DGCDRN CC[C@@H]1CN(Cc2c(O)cccc2Br)C[C@@H](C)O1 ZINC000707140240 660887202 /nfs/dbraw/zinc/88/72/02/660887202.db2.gz OONJAKYWLBGTQH-GHMZBOCLSA-N 0 0 314.223 3.154 20 10 DGCDRN CCC[C@@H](O)C[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708100878 660918070 /nfs/dbraw/zinc/91/80/70/660918070.db2.gz XAWSPYHEXCNALX-SNVBAGLBSA-N 0 0 322.630 3.059 20 10 DGCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]C1CSC1 ZINC000708196370 660918612 /nfs/dbraw/zinc/91/86/12/660918612.db2.gz IUVAFYNLUJPWDC-UHFFFAOYSA-N 0 0 308.628 3.013 20 10 DGCDRN COc1ccc(N(C)CCOC2CCSCC2)cc1OC ZINC000929348954 660945167 /nfs/dbraw/zinc/94/51/67/660945167.db2.gz WQVIDDTZLWRJFB-UHFFFAOYSA-N 0 0 311.447 3.052 20 10 DGCDRN Cc1ncsc1/C=C/C(=O)N1C[C@@H](C)Oc2c(F)cccc21 ZINC000187109370 660953119 /nfs/dbraw/zinc/95/31/19/660953119.db2.gz VEXFEFIYSDJMRN-VQCYPWCPSA-N 0 0 318.373 3.418 20 10 DGCDRN COc1ccc(CNC(=O)N[C@H](C)CCCC(C)C)c(O)c1 ZINC000792777871 660984055 /nfs/dbraw/zinc/98/40/55/660984055.db2.gz OAERVVQEQKNXMU-CYBMUJFWSA-N 0 0 308.422 3.415 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c(O)c1 ZINC000792780440 660984514 /nfs/dbraw/zinc/98/45/14/660984514.db2.gz PUHPJCMIOVMFRF-LALPHHSUSA-N 0 0 306.406 3.025 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N(CC2CC2)C2CCC2)cc1 ZINC000792793776 660985108 /nfs/dbraw/zinc/98/51/08/660985108.db2.gz VAYZQYJJASVYAY-UHFFFAOYSA-N 0 0 301.434 3.227 20 10 DGCDRN C[C@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)[C@@H](C)CO1 ZINC000792793581 660985168 /nfs/dbraw/zinc/98/51/68/660985168.db2.gz GHQYUBZJEWBFQL-RYUDHWBXSA-N 0 0 316.367 3.381 20 10 DGCDRN COc1ccc(CNC(=O)NCC[C@H]2CCCC[C@@H]2C)c(O)c1 ZINC000792943884 660996200 /nfs/dbraw/zinc/99/62/00/660996200.db2.gz ZRFZSYCRZKERLF-UONOGXRCSA-N 0 0 320.433 3.416 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H]2CCC[C@H](C(C)C)C2)c(O)c1 ZINC000792983957 660998436 /nfs/dbraw/zinc/99/84/36/660998436.db2.gz GTZJAGLAUDPVBG-DZGCQCFKSA-N 0 0 320.433 3.415 20 10 DGCDRN CC[C@H](C)[C@H](OC)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000792989109 660998737 /nfs/dbraw/zinc/99/87/37/660998737.db2.gz YYZCTWVMNYGRAF-KSSFIOAISA-N 0 0 318.461 3.305 20 10 DGCDRN C[C@@H]1CC[C@H](CNC(=O)NCCCSc2nccs2)C1 ZINC000793104376 661005090 /nfs/dbraw/zinc/00/50/90/661005090.db2.gz QYKYSCUZKZWKKV-NEPJUHHUSA-N 0 0 313.492 3.361 20 10 DGCDRN C[C@H]1CC[C@@H](CNC(=O)NCCCSc2nccs2)C1 ZINC000793104379 661005109 /nfs/dbraw/zinc/00/51/09/661005109.db2.gz QYKYSCUZKZWKKV-NWDGAFQWSA-N 0 0 313.492 3.361 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)c(O)c1 ZINC000793151283 661007741 /nfs/dbraw/zinc/00/77/41/661007741.db2.gz UKFLCEWPKKVXKA-OUCADQQQSA-N 0 0 306.406 3.025 20 10 DGCDRN COc1cc(Br)cc(CNC(C)(C)C(F)F)c1O ZINC000793255907 661018354 /nfs/dbraw/zinc/01/83/54/661018354.db2.gz UUUXBKLSDLNDIQ-UHFFFAOYSA-N 0 0 324.165 3.297 20 10 DGCDRN C[C@H]([NH2+]Cc1cnc2n1CCCC2)c1cc(F)cc(F)c1[O-] ZINC000793567503 661046640 /nfs/dbraw/zinc/04/66/40/661046640.db2.gz YPFWNJXJBYGZPJ-JTQLQIEISA-N 0 0 307.344 3.054 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NCCC2(F)CCC2)cc1 ZINC000806043310 661073771 /nfs/dbraw/zinc/07/37/71/661073771.db2.gz GNLBSEHXAACUIS-UHFFFAOYSA-N 0 0 307.413 3.176 20 10 DGCDRN COc1ccc(CNC(=O)/C=C/Sc2ccccc2)c(O)c1 ZINC000794371199 661081538 /nfs/dbraw/zinc/08/15/38/661081538.db2.gz YIZZRSJSCXXPHL-MDZDMXLPSA-N 0 0 315.394 3.323 20 10 DGCDRN COc1ccc(CNC(=O)c2cnc3ccccc3c2C)c(O)c1 ZINC000794380476 661081715 /nfs/dbraw/zinc/08/17/15/661081715.db2.gz ZZTIQRNQWYIZGT-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN COc1ccc(CNC(=O)c2ccc(C(F)F)cc2)c(O)c1 ZINC000794381345 661081797 /nfs/dbraw/zinc/08/17/97/661081797.db2.gz OUFCIGMPTFAXBM-UHFFFAOYSA-N 0 0 307.296 3.268 20 10 DGCDRN COc1ccc(CNC(=O)Cc2ccc(Cl)c(F)c2)c(O)c1 ZINC000794377358 661081941 /nfs/dbraw/zinc/08/19/41/661081941.db2.gz HOUHNJHSUDLGGW-UHFFFAOYSA-N 0 0 323.751 3.052 20 10 DGCDRN COc1ccc(CNC(=O)CCCc2ccc(C)cc2)c(O)c1 ZINC000794387451 661082154 /nfs/dbraw/zinc/08/21/54/661082154.db2.gz IHTDKNOZRWHXLG-UHFFFAOYSA-N 0 0 313.397 3.348 20 10 DGCDRN COc1ccc(CNC(=O)C[C@@H](C)c2ccc(F)cc2)c(O)c1 ZINC000794383897 661082162 /nfs/dbraw/zinc/08/21/62/661082162.db2.gz SDBMPWGYDPOEEN-GFCCVEGCSA-N 0 0 317.360 3.350 20 10 DGCDRN C=Cc1ccc(CCNC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000794385352 661082217 /nfs/dbraw/zinc/08/22/17/661082217.db2.gz POYDBMTZLMIINB-CSKARUKUSA-N 0 0 309.365 3.113 20 10 DGCDRN COc1ccc(CNC(=O)Cc2c(C)[nH]c3ccccc32)c(O)c1 ZINC000794388850 661082489 /nfs/dbraw/zinc/08/24/89/661082489.db2.gz AWEYBLIIWQTTSH-UHFFFAOYSA-N 0 0 324.380 3.049 20 10 DGCDRN CN(Cc1cccc(Br)n1)c1ccc2c(c1)OCO2 ZINC000794433603 661084373 /nfs/dbraw/zinc/08/43/73/661084373.db2.gz CAWQKIAVOSMJRL-UHFFFAOYSA-N 0 0 321.174 3.209 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cc2c(cn1)CCCC2 ZINC000794746386 661103626 /nfs/dbraw/zinc/10/36/26/661103626.db2.gz WUAJGTSUVSNYJK-VURMDHGXSA-N 0 0 310.353 3.024 20 10 DGCDRN CC[C@H](C)CCC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000794763970 661104611 /nfs/dbraw/zinc/10/46/11/661104611.db2.gz OSRZREAQPHJZRV-HNNXBMFYSA-N 0 0 304.434 3.170 20 10 DGCDRN CC[C@H](NCc1n[nH]cc1Br)c1ccc(C)cc1O ZINC000794800349 661105600 /nfs/dbraw/zinc/10/56/00/661105600.db2.gz CVHWMSMZKMPGJA-LBPRGKRZSA-N 0 0 324.222 3.427 20 10 DGCDRN COc1ccc(CNc2cncc(-c3ccccc3)n2)c(O)c1 ZINC000795284326 661138212 /nfs/dbraw/zinc/13/82/12/661138212.db2.gz KSJIPSZTTRFYIZ-UHFFFAOYSA-N 0 0 307.353 3.470 20 10 DGCDRN COc1ccc(CNc2nnc(C)cc2C(F)(F)F)c(O)c1 ZINC000795284873 661138355 /nfs/dbraw/zinc/13/83/55/661138355.db2.gz MGSKVVIJNBCPIA-UHFFFAOYSA-N 0 0 313.279 3.130 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCC(F)(F)C1 ZINC000795138263 661129092 /nfs/dbraw/zinc/12/90/92/661129092.db2.gz YKMKMYIVCPKFMA-LBPRGKRZSA-N 0 0 309.356 3.323 20 10 DGCDRN COc1cccc(CNC(=O)N[C@@H]2CCC(C)(C)C[C@@H]2C)c1O ZINC000175847769 655611822 /nfs/dbraw/zinc/61/18/22/655611822.db2.gz LWBMTVWFUMPVIM-GXTWGEPZSA-N 0 0 320.433 3.415 20 10 DGCDRN COc1cccc(CNC(=O)N[C@H]2CCC(C)(C)C[C@H]2C)c1O ZINC000175847716 655661637 /nfs/dbraw/zinc/66/16/37/655661637.db2.gz LWBMTVWFUMPVIM-OCCSQVGLSA-N 0 0 320.433 3.415 20 10 DGCDRN O=C(CC/C=C\c1ccccc1)NCCc1ccc(O)c(O)c1 ZINC000255237764 655668672 /nfs/dbraw/zinc/66/86/72/655668672.db2.gz ILZXNEFRRWVDRG-YWEYNIOJSA-N 0 0 311.381 3.250 20 10 DGCDRN CC(C)CCN(C)C(=O)NCCCSc1nccs1 ZINC000177852053 655668990 /nfs/dbraw/zinc/66/89/90/655668990.db2.gz RJYQWTLYBWCYFT-UHFFFAOYSA-N 0 0 301.481 3.313 20 10 DGCDRN Cc1cc(CN[C@@H]([C@H]2CCOC2)C(F)(F)F)ccc1N(C)C ZINC000933007279 655670312 /nfs/dbraw/zinc/67/03/12/655670312.db2.gz JHFDITVWYUQJAB-ZFWWWQNUSA-N 0 0 316.367 3.118 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)CC2CCSCC2)c1 ZINC000160716054 655672975 /nfs/dbraw/zinc/67/29/75/655672975.db2.gz IYEPEMIDVIQSAM-NSHDSACASA-N 0 0 309.431 3.111 20 10 DGCDRN COc1cccc(CNC(=O)CCCSC(C)(C)C)c1O ZINC000160728737 655673447 /nfs/dbraw/zinc/67/34/47/655673447.db2.gz PTSAMKUAKIWLNA-UHFFFAOYSA-N 0 0 311.447 3.329 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1occ2c1CCC2 ZINC000795754252 661171750 /nfs/dbraw/zinc/17/17/50/661171750.db2.gz VWOBDWLGTDUWOI-UHFFFAOYSA-N 0 0 312.413 3.497 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc3c(c2)C[C@H](C)O3)c1 ZINC000933136218 655685698 /nfs/dbraw/zinc/68/56/98/655685698.db2.gz DOJLVQZUUIVXQJ-LBPRGKRZSA-N 0 0 312.369 3.346 20 10 DGCDRN COc1ccc(N(Cc2ccccc2)C[C@@H](O)CSC)cc1 ZINC000187949624 655690133 /nfs/dbraw/zinc/69/01/33/655690133.db2.gz SIPDETWCNXLZEX-QGZVFWFLSA-N 0 0 317.454 3.426 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(F)c(F)c2)c1 ZINC000157843137 655702920 /nfs/dbraw/zinc/70/29/20/655702920.db2.gz YIBNHXKZPLYCQZ-VIFPVBQESA-N 0 0 307.296 3.170 20 10 DGCDRN CCN(C(=O)c1ccoc1CC(N)=O)c1ccc2ccccc2c1 ZINC000795854866 661176223 /nfs/dbraw/zinc/17/62/23/661176223.db2.gz HVCFQGMZHFRYNE-UHFFFAOYSA-N 0 0 322.364 3.127 20 10 DGCDRN O=S(=O)(c1ccoc1)N(Cc1ccccc1O)C1CCCC1 ZINC000795852729 661176318 /nfs/dbraw/zinc/17/63/18/661176318.db2.gz LVUNWABNCQMDFM-UHFFFAOYSA-N 0 0 321.398 3.119 20 10 DGCDRN CSCCCN1C(=O)/C(=C\c2cccnc2C)SC1=S ZINC000255472726 655758124 /nfs/dbraw/zinc/75/81/24/655758124.db2.gz VWKGNWJKODFBDA-FMIVXFBMSA-N 0 0 324.496 3.344 20 10 DGCDRN CCC[C@@H](C)CC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084814958 655761062 /nfs/dbraw/zinc/76/10/62/655761062.db2.gz BWNOUVKJPKOZKR-CQSZACIVSA-N 0 0 322.424 3.309 20 10 DGCDRN C[C@H](NC(=O)Nc1cnc(F)c(F)c1)c1ccc(N(C)C)cc1 ZINC000934396450 655773479 /nfs/dbraw/zinc/77/34/79/655773479.db2.gz NIJFSVCJBWYOCN-JTQLQIEISA-N 0 0 320.343 3.309 20 10 DGCDRN CCCCO[C@H](C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000075159573 655851978 /nfs/dbraw/zinc/85/19/78/655851978.db2.gz CGJVZGSVGNVVOK-CYBMUJFWSA-N 0 0 305.418 3.092 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccccc2OC(C)C)c(O)c1O ZINC000179430160 655893114 /nfs/dbraw/zinc/89/31/14/655893114.db2.gz JJVQAPKWZUBBPF-UHFFFAOYSA-N 0 0 301.342 3.446 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)CCC3)c(O)c1O ZINC000179538118 655908112 /nfs/dbraw/zinc/90/81/12/655908112.db2.gz VPRMNRUIMLDQRX-UHFFFAOYSA-N 0 0 311.337 3.178 20 10 DGCDRN CCC1(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CCC1 ZINC000177298316 655920713 /nfs/dbraw/zinc/92/07/13/655920713.db2.gz JDPZPTMHJDJTKI-UHFFFAOYSA-N 0 0 313.445 3.442 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1csc(C)n1 ZINC000066096798 655932300 /nfs/dbraw/zinc/93/23/00/655932300.db2.gz FUGIDOGRQUTOPJ-UHFFFAOYSA-N 0 0 304.415 3.138 20 10 DGCDRN CCOCc1cc(CN[C@H](C)C(=O)OC(C)(C)C)ccc1OC ZINC000177708687 655941097 /nfs/dbraw/zinc/94/10/97/655941097.db2.gz KDWQBTLRHQPPBJ-CYBMUJFWSA-N 0 0 323.433 3.052 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)CC1CCCC1 ZINC000177741307 655944463 /nfs/dbraw/zinc/94/44/63/655944463.db2.gz VHIFECKGDZQYKJ-UHFFFAOYSA-N 0 0 324.490 3.095 20 10 DGCDRN CC(C)CCCNC(=O)NCCCSc1nccs1 ZINC000177757725 655945654 /nfs/dbraw/zinc/94/56/54/655945654.db2.gz FEPOHPUCXVXIEP-UHFFFAOYSA-N 0 0 301.481 3.361 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Cc2c(C)cc(C)cc2C)c1 ZINC000180420666 655965522 /nfs/dbraw/zinc/96/55/22/655965522.db2.gz JOSQGJNJANDDGM-UHFFFAOYSA-N 0 0 313.397 3.185 20 10 DGCDRN CC[C@@H](CSC)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000181449301 655998882 /nfs/dbraw/zinc/99/88/82/655998882.db2.gz UFODAYOMUAARAM-HNNXBMFYSA-N 0 0 321.490 3.010 20 10 DGCDRN C[C@@H](Cc1ccccc1Cl)NC(=O)Cc1ccc(N)cc1 ZINC000037012710 661212933 /nfs/dbraw/zinc/21/29/33/661212933.db2.gz WYPOYHBMNPOVFT-LBPRGKRZSA-N 0 0 302.805 3.212 20 10 DGCDRN CO[C@@H](C[NH2+]Cc1cc(Br)cc(F)c1[O-])C(C)C ZINC000715799195 661213711 /nfs/dbraw/zinc/21/37/11/661213711.db2.gz ZLEPBVYZOYIMMD-LBPRGKRZSA-N 0 0 320.202 3.054 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]CCC(F)(F)F ZINC000715789385 661214502 /nfs/dbraw/zinc/21/45/02/661214502.db2.gz QDKDJNBBEFRFKN-UHFFFAOYSA-N 0 0 316.092 3.336 20 10 DGCDRN CN(C)c1ccc(CNc2cccc(N3CCOC3=O)c2)cc1 ZINC000122297876 656024759 /nfs/dbraw/zinc/02/47/59/656024759.db2.gz RAYSMIIBECCXIF-UHFFFAOYSA-N 0 0 311.385 3.321 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CCN1Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000716177302 661219680 /nfs/dbraw/zinc/21/96/80/661219680.db2.gz MYURXIFNKRWCPQ-YOEHRIQHSA-N 0 0 314.404 3.456 20 10 DGCDRN Cc1ocnc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000128345977 656075055 /nfs/dbraw/zinc/07/50/55/656075055.db2.gz OOJGHNDNXRTDCD-UHFFFAOYSA-N 0 0 313.401 3.246 20 10 DGCDRN C[C@H](c1ccccc1F)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180633944 656094114 /nfs/dbraw/zinc/09/41/14/656094114.db2.gz OZXKCLTYDYBWQV-ZJNQMXKESA-N 0 0 315.344 3.470 20 10 DGCDRN C[C@@H](c1cccs1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180669732 656094462 /nfs/dbraw/zinc/09/44/62/656094462.db2.gz PEPOGYSJZVFRFP-IOCXFXADSA-N 0 0 303.383 3.392 20 10 DGCDRN CSc1cccc(N(C)C(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000181014730 656096714 /nfs/dbraw/zinc/09/67/14/656096714.db2.gz LYXVMQJEPAYKER-VQHVLOKHSA-N 0 0 315.394 3.496 20 10 DGCDRN CCN(Cc1c(F)cccc1F)C(=O)c1cccc(O)c1O ZINC000187059919 656135488 /nfs/dbraw/zinc/13/54/88/656135488.db2.gz VFCQJNBGRNFGHF-UHFFFAOYSA-N 0 0 307.296 3.038 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NCC(C(C)C)C(C)C)c1 ZINC000193843122 656194876 /nfs/dbraw/zinc/19/48/76/656194876.db2.gz PHOAPUCAGNBIKO-UHFFFAOYSA-N 0 0 308.422 3.128 20 10 DGCDRN c1cc(NCc2ccc(N3CCOCC3)cc2)cc2c1OCC2 ZINC000236706775 656260497 /nfs/dbraw/zinc/26/04/97/656260497.db2.gz MVPHFSVEIDPGPS-UHFFFAOYSA-N 0 0 310.397 3.070 20 10 DGCDRN C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000093501012 656356460 /nfs/dbraw/zinc/35/64/60/656356460.db2.gz MBRMPMYUBIWGCC-ZJUUUORDSA-N 0 0 316.264 3.481 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Nc2cccnc2)cc1F ZINC000066906890 656361089 /nfs/dbraw/zinc/36/10/89/656361089.db2.gz QYAFZPDMBRGTJA-UHFFFAOYSA-N 0 0 316.380 3.389 20 10 DGCDRN Cc1cc(C(=O)OCc2cccnc2)c(C)n1-c1ccccn1 ZINC000125895381 656576430 /nfs/dbraw/zinc/57/64/30/656576430.db2.gz DLJYCCBVZYKQRO-UHFFFAOYSA-N 0 0 307.353 3.241 20 10 DGCDRN CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000317323526 656607740 /nfs/dbraw/zinc/60/77/40/656607740.db2.gz FRZMNKYJLYSNNY-QWHCGFSZSA-N 0 0 300.402 3.109 20 10 DGCDRN CCN(CC)c1ccc(CNc2nc(C)nc3c2cnn3C)cc1 ZINC000054061016 656656499 /nfs/dbraw/zinc/65/64/99/656656499.db2.gz HNSKTJZWENXPQC-UHFFFAOYSA-N 0 0 324.432 3.130 20 10 DGCDRN CCNC(=O)c1ccc(NCc2cccc(OCC)c2O)cc1 ZINC000320243968 656923701 /nfs/dbraw/zinc/92/37/01/656923701.db2.gz WXHFSQFREMPXKA-UHFFFAOYSA-N 0 0 314.385 3.153 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2CCC[C@H]2O)c(C)n1-c1cccc(C)c1 ZINC000178586604 656937154 /nfs/dbraw/zinc/93/71/54/656937154.db2.gz ZNYQPKHVJPEDMY-QZTJIDSGSA-N 0 0 312.413 3.046 20 10 DGCDRN O=C(NCc1ccccc1O)c1cccc(Br)c1F ZINC000236562861 656954677 /nfs/dbraw/zinc/95/46/77/656954677.db2.gz ROQYEINAFPQYRA-UHFFFAOYSA-N 0 0 324.149 3.224 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccn(C)n1 ZINC000054131828 656958632 /nfs/dbraw/zinc/95/86/32/656958632.db2.gz NDWNEGFTWFFBBW-UHFFFAOYSA-N 0 0 300.387 3.141 20 10 DGCDRN CCN(CC)c1ccc(CNc2cccc(-n3cnnn3)c2)cc1 ZINC000236981018 657032590 /nfs/dbraw/zinc/03/25/90/657032590.db2.gz HMFXVRZJADPYQG-UHFFFAOYSA-N 0 0 322.416 3.121 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000302992386 657506204 /nfs/dbraw/zinc/50/62/04/657506204.db2.gz FGSXZEIUWKYGCG-PBHICJAKSA-N 0 0 314.404 3.456 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc(Cl)cc2)cc1F ZINC000302962513 657506230 /nfs/dbraw/zinc/50/62/30/657506230.db2.gz GUHKYHZBRQMQSX-UHFFFAOYSA-N 0 0 306.768 3.475 20 10 DGCDRN Cc1ccc(C)c(NC(=S)NN=c2nc(C)cc(C)[nH]2)c1 ZINC000007521997 657581887 /nfs/dbraw/zinc/58/18/87/657581887.db2.gz GZROPEHFGRXKEF-UHFFFAOYSA-N 0 0 301.419 3.024 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000320570289 657601033 /nfs/dbraw/zinc/60/10/33/657601033.db2.gz QCPPYHQSWBHYGE-ZJUUUORDSA-N 0 0 315.348 3.113 20 10 DGCDRN COc1cc(C(=O)Nc2ccc(N)cc2)ccc1OC(F)F ZINC000237278835 657608647 /nfs/dbraw/zinc/60/86/47/657608647.db2.gz VWUVTODFVIMSPI-UHFFFAOYSA-N 0 0 308.284 3.131 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000305797772 657737629 /nfs/dbraw/zinc/73/76/29/657737629.db2.gz WEKIVZGLBVPPKJ-ZDUSSCGKSA-N 0 0 313.731 3.147 20 10 DGCDRN COCC(=O)Nc1ccc(N[C@H](C)c2ccc(F)cc2O)cc1 ZINC000320779530 657843204 /nfs/dbraw/zinc/84/32/04/657843204.db2.gz VCTQKJCPVUZLTA-LLVKDONJSA-N 0 0 318.348 3.289 20 10 DGCDRN C[C@@H](CC(F)(F)F)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897410790 658139212 /nfs/dbraw/zinc/13/92/12/658139212.db2.gz RRYRSAGSGRVMCV-LURJTMIESA-N 0 0 319.304 3.383 20 10 DGCDRN COc1ccc(-n2c(C)cc(C(=O)Nc3cn[nH]c3)c2C)cc1 ZINC000127739281 658391861 /nfs/dbraw/zinc/39/18/61/658391861.db2.gz OMCDQQZDMNNHGP-UHFFFAOYSA-N 0 0 310.357 3.078 20 10 DGCDRN CC(C)CCN(C(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000031730319 658844925 /nfs/dbraw/zinc/84/49/25/658844925.db2.gz VYPOKADDMWPKQE-UHFFFAOYSA-N 0 0 303.450 3.473 20 10 DGCDRN CC(C)CN(C(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000057646934 659023175 /nfs/dbraw/zinc/02/31/75/659023175.db2.gz XVAPTHMSMYJGLZ-UHFFFAOYSA-N 0 0 307.413 3.222 20 10 DGCDRN CCCN(CC1CC1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000057646556 659023582 /nfs/dbraw/zinc/02/35/82/659023582.db2.gz KLPQDDDFYSOOAX-UHFFFAOYSA-N 0 0 307.413 3.223 20 10 DGCDRN CCn1c(C)cc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1C ZINC000058972726 659121459 /nfs/dbraw/zinc/12/14/59/659121459.db2.gz FQTXTHKBOZEDCB-UHFFFAOYSA-N 0 0 317.408 3.260 20 10 DGCDRN CC(C)(C)[C@H](Cn1ccnc1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000158118220 659144671 /nfs/dbraw/zinc/14/46/71/659144671.db2.gz PWAAGNGBALZIFC-AWEZNQCLSA-N 0 0 307.825 3.447 20 10 DGCDRN CCCCN(CC)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000060592380 659188402 /nfs/dbraw/zinc/18/84/02/659188402.db2.gz DTWJBIPSCCOLQY-UHFFFAOYSA-N 0 0 303.450 3.401 20 10 DGCDRN Cc1cccc(CC(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000171192275 659266118 /nfs/dbraw/zinc/26/61/18/659266118.db2.gz KQWFCNYDXTYQHD-UHFFFAOYSA-N 0 0 308.425 3.454 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2ccccc2F)c1 ZINC000171720539 659295378 /nfs/dbraw/zinc/29/53/78/659295378.db2.gz AFDQDXSKAZOPBM-NSHDSACASA-N 0 0 318.348 3.100 20 10 DGCDRN CSc1ccccc1NC(=O)CN(C)Cc1ccccc1O ZINC000171926193 659305684 /nfs/dbraw/zinc/30/56/84/659305684.db2.gz GUYSLARIUYKLMR-UHFFFAOYSA-N 0 0 316.426 3.185 20 10 DGCDRN Cc1cccnc1NC(=O)NCCCSc1nccs1 ZINC000172042505 659312422 /nfs/dbraw/zinc/31/24/22/659312422.db2.gz FZHCGOWHDPIPGG-UHFFFAOYSA-N 0 0 308.432 3.150 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)cc(F)c2)c1 ZINC000173130846 659373680 /nfs/dbraw/zinc/37/36/80/659373680.db2.gz VCFSOBAQCFHTHN-LLVKDONJSA-N 0 0 303.333 3.339 20 10 DGCDRN Nc1ccc(CC(=O)NCc2csc(-c3ccccc3)n2)cc1 ZINC000237909186 659948514 /nfs/dbraw/zinc/94/85/14/659948514.db2.gz PJMWMVPWEHFGPL-UHFFFAOYSA-N 0 0 323.421 3.251 20 10 DGCDRN Oc1ccc(F)cc1C[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000180262126 659957651 /nfs/dbraw/zinc/95/76/51/659957651.db2.gz MHTUJGJGDLNYOM-SFHVURJKSA-N 0 0 315.388 3.365 20 10 DGCDRN CN(Cc1cn(C)nc1C(C)(C)C)c1ccc2c(c1)OCO2 ZINC000180759630 659969803 /nfs/dbraw/zinc/96/98/03/659969803.db2.gz KAGDZADGQWNNJK-UHFFFAOYSA-N 0 0 301.390 3.083 20 10 DGCDRN CN(C)c1ccc(CNc2nnc(CC3CCCC3)o2)cc1 ZINC000181807546 660020800 /nfs/dbraw/zinc/02/08/00/660020800.db2.gz XOSGOCVXXFRTIG-UHFFFAOYSA-N 0 0 300.406 3.480 20 10 DGCDRN CSCCCCCCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000182369645 660047886 /nfs/dbraw/zinc/04/78/86/660047886.db2.gz DOAIOSUBHAMEMQ-UHFFFAOYSA-N 0 0 323.506 3.475 20 10 DGCDRN COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(F)cc2C#N)c1 ZINC000182448018 660053493 /nfs/dbraw/zinc/05/34/93/660053493.db2.gz LTGZORPNZDOSLA-NSHDSACASA-N 0 0 300.333 3.262 20 10 DGCDRN CCC(CC)[C@@H]1C[C@@H](NC(=O)c2ccc(C)c(O)c2O)CCO1 ZINC000183003569 660097851 /nfs/dbraw/zinc/09/78/51/660097851.db2.gz PBULEZLURCYPBU-ZFWWWQNUSA-N 0 0 321.417 3.120 20 10 DGCDRN Cc1cnc([C@H](C)CNC(=O)N(C)Cc2ccccc2O)s1 ZINC000183200538 660103673 /nfs/dbraw/zinc/10/36/73/660103673.db2.gz JKIXEMWBEQWWMV-LLVKDONJSA-N 0 0 319.430 3.102 20 10 DGCDRN Cc1cc2c(cc1NC(=O)N(C)Cc1ccccc1O)OCO2 ZINC000183785831 660137723 /nfs/dbraw/zinc/13/77/23/660137723.db2.gz SLQPLTSIMFACJT-UHFFFAOYSA-N 0 0 314.341 3.093 20 10 DGCDRN CC(C)(C)c1ncc(NC(=O)N2Cc3cccc(O)c3C2)cn1 ZINC000929978401 661355335 /nfs/dbraw/zinc/35/53/35/661355335.db2.gz QANYMZSHMPQKJX-UHFFFAOYSA-N 0 0 312.373 3.027 20 10 DGCDRN CN(Cc1ccc(N2CCOCC2)cc1)OCc1ccccc1 ZINC000930074832 661363867 /nfs/dbraw/zinc/36/38/67/661363867.db2.gz JCCCIBMPTPOEJU-UHFFFAOYSA-N 0 0 312.413 3.087 20 10 DGCDRN C[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)c1cccc(O)c1 ZINC000930206358 661377906 /nfs/dbraw/zinc/37/79/06/661377906.db2.gz VTMYCMQJZKXJEP-OAHLLOKOSA-N 0 0 324.424 3.412 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)COC(F)(F)F ZINC000930295695 661386072 /nfs/dbraw/zinc/38/60/72/661386072.db2.gz HYLJIHRLSAKQNW-UHFFFAOYSA-N 0 0 318.339 3.026 20 10 DGCDRN CN(C[C@@H]1C[C@H]2COC[C@@H]2O1)c1ccc(-c2nccs2)cc1 ZINC000930709815 661423382 /nfs/dbraw/zinc/42/33/82/661423382.db2.gz IJDPOEDNKYMSGC-BPUTZDHNSA-N 0 0 316.426 3.050 20 10 DGCDRN CC(C)(C)n1nccc1NC(=O)NCc1cccc(Cl)c1O ZINC000930926648 661439649 /nfs/dbraw/zinc/43/96/49/661439649.db2.gz ZVNUQUSOQGEPQI-UHFFFAOYSA-N 0 0 322.796 3.319 20 10 DGCDRN O=Cc1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)co1 ZINC000930935872 661440443 /nfs/dbraw/zinc/44/04/43/661440443.db2.gz WJOQIARREMIRNN-UHFFFAOYSA-N 0 0 312.369 3.012 20 10 DGCDRN COc1ccc(N(CC(C)C)C(=O)/C=C/c2cn(C)cn2)cc1 ZINC000931106672 661452382 /nfs/dbraw/zinc/45/23/82/661452382.db2.gz PKBSLPHXNRSYEM-BJMVGYQFSA-N 0 0 313.401 3.131 20 10 DGCDRN C[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)c1cccc(O)c1 ZINC000931146635 661456525 /nfs/dbraw/zinc/45/65/25/661456525.db2.gz OIGCNBAUDNTOEQ-GFCCVEGCSA-N 0 0 316.376 3.017 20 10 DGCDRN COC(=O)/C=C/c1ccc(N(C)[C@@H](C)C2CC2)c([N+](=O)[O-])c1 ZINC000931454114 661477895 /nfs/dbraw/zinc/47/78/95/661477895.db2.gz QUNDFIWRUGLCRG-NKLKJHRZSA-N 0 0 304.346 3.016 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)[C@]3(C)C=CCC3)CC2)cc1 ZINC000931578378 661490191 /nfs/dbraw/zinc/49/01/91/661490191.db2.gz SBQDNMRXADJZIG-LJQANCHMSA-N 0 0 314.429 3.137 20 10 DGCDRN C[C@H](NC(=O)Nc1cnn(C)c1Cl)c1ccc(N(C)C)cc1 ZINC000932402265 661566423 /nfs/dbraw/zinc/56/64/23/661566423.db2.gz CXIJKCGXLLYQLF-JTQLQIEISA-N 0 0 321.812 3.022 20 10 DGCDRN O=C(NCc1c(O)cccc1F)Nc1ncsc1C1CC1 ZINC000932416284 661568093 /nfs/dbraw/zinc/56/80/93/661568093.db2.gz MNNCMOZTWAGYJG-UHFFFAOYSA-N 0 0 307.350 3.187 20 10 DGCDRN Cc1noc(C(C)C)c1NC(=O)NCc1cc(C)ccc1O ZINC000932836629 661600690 /nfs/dbraw/zinc/60/06/90/661600690.db2.gz KPFIWYSKZGFEFW-UHFFFAOYSA-N 0 0 303.362 3.442 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000932944595 661611132 /nfs/dbraw/zinc/61/11/32/661611132.db2.gz YFCZNJUWXGGZSM-CRAIPNDOSA-N 0 0 318.461 3.128 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@]1(c2ccccc2)CCCO1 ZINC000934704762 661728135 /nfs/dbraw/zinc/72/81/35/661728135.db2.gz IGTJTGSAJYNELA-LJQANCHMSA-N 0 0 311.381 3.057 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000934940664 661750268 /nfs/dbraw/zinc/75/02/68/661750268.db2.gz SVGHHLGYPGCLOM-OGHNNQOOSA-N 0 0 321.417 3.029 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)CCc1cc(C)on1 ZINC000935854536 661815591 /nfs/dbraw/zinc/81/55/91/661815591.db2.gz CHMDZLVYNYAVKI-UHFFFAOYSA-N 0 0 316.401 3.450 20 10 DGCDRN COc1cccc(CNC(=O)/C=C/SCc2ccco2)c1O ZINC000155363740 661845669 /nfs/dbraw/zinc/84/56/69/661845669.db2.gz TYRFEQXARXCTQA-VQHVLOKHSA-N 0 0 319.382 3.057 20 10 DGCDRN COc1cccc(CNC(=O)c2cccc3ccc(C)nc32)c1O ZINC000156157050 661859076 /nfs/dbraw/zinc/85/90/76/661859076.db2.gz GMUICCJGJCITIH-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN CCOC(=O)c1ccc(NCCCSc2nccs2)nc1 ZINC000156411545 661862655 /nfs/dbraw/zinc/86/26/55/661862655.db2.gz FWPZHNBMVLFQSE-UHFFFAOYSA-N 0 0 323.443 3.309 20 10 DGCDRN CC(C)(C)NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000157171263 661866320 /nfs/dbraw/zinc/86/63/20/661866320.db2.gz PMNXNAWZMDOVBO-UHFFFAOYSA-N 0 0 302.374 3.496 20 10 DGCDRN CC(=O)N(CCc1nc(-c2ccc(O)c(O)c2)cs1)C(C)C ZINC000157585893 661868230 /nfs/dbraw/zinc/86/82/30/661868230.db2.gz NZXGIFZWNYEOQC-UHFFFAOYSA-N 0 0 320.414 3.021 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1ccccc1C(F)(F)F ZINC000159000860 661881664 /nfs/dbraw/zinc/88/16/64/661881664.db2.gz BKAFXZNLJICEPR-UHFFFAOYSA-N 0 0 311.259 3.047 20 10 DGCDRN O=C(CCSc1ccccc1F)NCc1ccc(O)c(O)c1 ZINC000159115953 661882926 /nfs/dbraw/zinc/88/29/26/661882926.db2.gz PIKWSGDAUVWTKU-UHFFFAOYSA-N 0 0 321.373 3.036 20 10 DGCDRN Cc1ccc2c(c1)nc(-c1ccc(N3CCOCC3)cc1)n2C ZINC000048879977 661897061 /nfs/dbraw/zinc/89/70/61/661897061.db2.gz PDLXYDZGLORXQT-UHFFFAOYSA-N 0 0 307.397 3.385 20 10 DGCDRN CN(Cc1nccs1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000074724310 661902547 /nfs/dbraw/zinc/90/25/47/661902547.db2.gz NFYLBGMMMBUJQT-UHFFFAOYSA-N 0 0 306.431 3.484 20 10 DGCDRN CSC[C@@H](O)CN1CCCc2cc(OC(F)(F)F)ccc21 ZINC000187953410 661909212 /nfs/dbraw/zinc/90/92/12/661909212.db2.gz OCHJLVOZAQBLNZ-NSHDSACASA-N 0 0 321.364 3.062 20 10 DGCDRN CCCn1c(C(=O)NCc2ccc(O)c(O)c2)cc2ccccc21 ZINC000188451803 661931913 /nfs/dbraw/zinc/93/19/13/661931913.db2.gz UERYYQHLUCLJER-UHFFFAOYSA-N 0 0 324.380 3.393 20 10 DGCDRN CCOc1ccccc1N(C)Cc1cc(OC)c(OC)cc1O ZINC000188694626 661940471 /nfs/dbraw/zinc/94/04/71/661940471.db2.gz YDPGDQWQCKAHKC-UHFFFAOYSA-N 0 0 317.385 3.445 20 10 DGCDRN CN(Cc1ccn(-c2ccccc2F)n1)Cc1ccccc1O ZINC000189187794 661967994 /nfs/dbraw/zinc/96/79/94/661967994.db2.gz HEQLRAYWVYXCNL-UHFFFAOYSA-N 0 0 311.360 3.349 20 10 DGCDRN CCc1cc(O)ccc1NS(=O)(=O)c1cccc(F)c1C ZINC000189433495 661978499 /nfs/dbraw/zinc/97/84/99/661978499.db2.gz VLWFXHFTGKXWSD-UHFFFAOYSA-N 0 0 309.362 3.203 20 10 DGCDRN CCN(Cc1ccccc1)c1ccc([C@H]2NC(=O)CN2CC)cc1 ZINC000189894455 661995518 /nfs/dbraw/zinc/99/55/18/661995518.db2.gz DLXYUZQMVCAVFX-FQEVSTJZSA-N 0 0 323.440 3.163 20 10 DGCDRN CCOC(=O)CCc1csc(-c2ccc(N(C)C)cc2)n1 ZINC000190120672 662020224 /nfs/dbraw/zinc/02/02/24/662020224.db2.gz UFPDCJIZJMFAPU-UHFFFAOYSA-N 0 0 304.415 3.372 20 10 DGCDRN CN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1cc(F)ccc1O ZINC000077472343 662028251 /nfs/dbraw/zinc/02/82/51/662028251.db2.gz KPBDALOVJIRCOF-AWEZNQCLSA-N 0 0 306.724 3.381 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCCc1ccc(F)c(F)c1 ZINC000190359375 662029322 /nfs/dbraw/zinc/02/93/22/662029322.db2.gz DANLOJAEYQFXPJ-UHFFFAOYSA-N 0 0 320.339 3.055 20 10 DGCDRN CC(C)Oc1ccc(N(C)CC(=O)Nc2nccs2)cc1 ZINC000191597019 662073948 /nfs/dbraw/zinc/07/39/48/662073948.db2.gz CBALGTZRHASJJB-UHFFFAOYSA-N 0 0 305.403 3.005 20 10 DGCDRN Cc1cc(C(=O)NCc2cccs2)c(C)n1-c1ccccn1 ZINC000078585541 662077011 /nfs/dbraw/zinc/07/70/11/662077011.db2.gz CLQWEFROOFQWBG-UHFFFAOYSA-N 0 0 311.410 3.481 20 10 DGCDRN Cc1ccc(NC(=O)c2cccc(O)c2O)cc1OCC(F)F ZINC000193008176 662120528 /nfs/dbraw/zinc/12/05/28/662120528.db2.gz YIWGJHIHUNDECL-UHFFFAOYSA-N 0 0 323.295 3.302 20 10 DGCDRN CCC(CC)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000194940727 662175795 /nfs/dbraw/zinc/17/57/95/662175795.db2.gz VNCMYVSWLIAPNX-INIZCTEOSA-N 0 0 305.418 3.336 20 10 DGCDRN CCC[C@H](C)CC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084814959 662203690 /nfs/dbraw/zinc/20/36/90/662203690.db2.gz BWNOUVKJPKOZKR-AWEZNQCLSA-N 0 0 322.424 3.309 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@H]2[C@H](C)CCC[C@@H]2C)c1 ZINC000246144860 662248482 /nfs/dbraw/zinc/24/84/82/662248482.db2.gz GRVKHYUCQPRCJL-ATCWAGBWSA-N 0 0 306.406 3.025 20 10 DGCDRN CCOc1ccccc1NC[C@@H](O)COCc1cccs1 ZINC000037874951 662260560 /nfs/dbraw/zinc/26/05/60/662260560.db2.gz CAVITEPASRDMDG-CYBMUJFWSA-N 0 0 307.415 3.136 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000246718119 662272521 /nfs/dbraw/zinc/27/25/21/662272521.db2.gz MMVRQVOTTVNWJA-TYNCELHUSA-N 0 0 306.406 3.025 20 10 DGCDRN Cc1ccc(O)c(CN(C)CC(=O)Nc2cc(F)cc(F)c2)c1 ZINC000093012688 662342951 /nfs/dbraw/zinc/34/29/51/662342951.db2.gz HPUMZWALSHBPJD-UHFFFAOYSA-N 0 0 320.339 3.049 20 10 DGCDRN COc1cccc(CNC(=O)N[C@@H]2CC[C@@H](C)[C@H](C)C2)c1O ZINC000248558378 662353533 /nfs/dbraw/zinc/35/35/33/662353533.db2.gz AGXZVKZOZAVQQP-YRGRVCCFSA-N 0 0 306.406 3.025 20 10 DGCDRN O=C1N[C@H](c2cc(Br)ccc2O)Nc2ccccc21 ZINC000041863645 685048141 /nfs/dbraw/zinc/04/81/41/685048141.db2.gz MIQLMOQOXGVYAG-CYBMUJFWSA-N 0 0 319.158 3.009 20 10 DGCDRN CC(C)CCC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000145530134 685086923 /nfs/dbraw/zinc/08/69/23/685086923.db2.gz SCKFBIVAEITXPK-HNNXBMFYSA-N 0 0 304.434 3.137 20 10 DGCDRN COC1(C[NH2+]Cc2cccc(Br)c2[O-])CCCC1 ZINC000386861044 685181012 /nfs/dbraw/zinc/18/10/12/685181012.db2.gz UQQXPNVHNSUUQU-UHFFFAOYSA-N 0 0 314.223 3.204 20 10 DGCDRN COCC(=O)Nc1ccc(N[C@H](C)c2ccccc2O)cc1 ZINC000387334854 685183237 /nfs/dbraw/zinc/18/32/37/685183237.db2.gz UUQRXAPVBQOOCK-GFCCVEGCSA-N 0 0 300.358 3.150 20 10 DGCDRN COc1cc(OC)c(NC(=O)c2cccc(O)c2O)cc1Cl ZINC000388351932 685188645 /nfs/dbraw/zinc/18/86/45/685188645.db2.gz ADJSGDUICQDANG-UHFFFAOYSA-N 0 0 323.732 3.021 20 10 DGCDRN C[C@H]1C[C@@H](C[NH2+]Cc2cccc(Br)c2[O-])CCO1 ZINC000388683371 685190735 /nfs/dbraw/zinc/19/07/35/685190735.db2.gz ISFRGNWGMVMELF-QWRGUYRKSA-N 0 0 314.223 3.059 20 10 DGCDRN CC(C)(O)C(C)(C)C[NH2+]Cc1cccc(Br)c1[O-] ZINC000393684367 685218842 /nfs/dbraw/zinc/21/88/42/685218842.db2.gz UQRKECIMNMHEAX-UHFFFAOYSA-N 0 0 316.239 3.041 20 10 DGCDRN C[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2[O-])CS1 ZINC000397957502 685234465 /nfs/dbraw/zinc/23/44/65/685234465.db2.gz ZVAHSWBVYLVEAB-SCZZXKLOSA-N 0 0 302.237 3.138 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1cccc(Br)c1 ZINC000398473372 685237469 /nfs/dbraw/zinc/23/74/69/685237469.db2.gz QNCCRDCRPOAMTC-UHFFFAOYSA-N 0 0 321.174 3.476 20 10 DGCDRN C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2O)CN1C(=O)OC(C)(C)C ZINC000399181847 685239893 /nfs/dbraw/zinc/23/98/93/685239893.db2.gz LWKFJBOEJGBVLO-HIFRSBDPSA-N 0 0 320.433 3.270 20 10 DGCDRN C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2O)CN1C(=O)OC(C)(C)C ZINC000399181844 685239971 /nfs/dbraw/zinc/23/99/71/685239971.db2.gz LWKFJBOEJGBVLO-DZGCQCFKSA-N 0 0 320.433 3.270 20 10 DGCDRN CN(C(=O)CCc1cc2ccccc2[nH]c1=O)c1ccc(N)cc1 ZINC001578376792 1191940657 /nfs/dbraw/zinc/94/06/57/1191940657.db2.gz UAPSOGUTPFVOEQ-UHFFFAOYSA-N 0 0 321.380 3.118 20 10 DGCDRN CN(C(=O)Nc1cc(Br)ccn1)c1ccc(N)cc1 ZINC001578383872 1191940830 /nfs/dbraw/zinc/94/08/30/1191940830.db2.gz NKJHOQDQCMZSJW-UHFFFAOYSA-N 0 0 321.178 3.095 20 10 DGCDRN Cc1cc(S(=O)(=O)Oc2ccc(N)cc2)ccc1OC(C)C ZINC001579641018 1191983498 /nfs/dbraw/zinc/98/34/98/1191983498.db2.gz LNRQGDCRLALWFR-UHFFFAOYSA-N 0 0 321.398 3.132 20 10 DGCDRN Cc1cccc(OCCCNC(=O)Cc2ccc(N)cc2)c1C ZINC001579773011 1191991904 /nfs/dbraw/zinc/99/19/04/1191991904.db2.gz RYTPLEWDKPUFQN-UHFFFAOYSA-N 0 0 312.413 3.013 20 10 DGCDRN Nc1ccc(CNC(=O)[C@H]2C[C@H]2c2cc(F)c(F)c(F)c2)cc1 ZINC001580443620 1192027364 /nfs/dbraw/zinc/02/73/64/1192027364.db2.gz SWUIMDCYTUCILU-STQMWFEESA-N 0 0 320.314 3.106 20 10 DGCDRN Nc1ccc(NC(=O)N[C@H](Cn2ccnc2)c2ccccc2)cc1 ZINC001580449681 1192027593 /nfs/dbraw/zinc/02/75/93/1192027593.db2.gz RLUGLVGYHADNMB-QGZVFWFLSA-N 0 0 321.384 3.028 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CCn2ccc3ccccc32)c1 ZINC001584983068 1192234284 /nfs/dbraw/zinc/23/42/84/1192234284.db2.gz BGHMVPCACSTPCV-UHFFFAOYSA-N 0 0 308.381 3.362 20 10 DGCDRN COCC[C@H](C)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001585074137 1192239517 /nfs/dbraw/zinc/23/95/17/1192239517.db2.gz JTXZLIHKQDNXMB-AWEZNQCLSA-N 0 0 314.429 3.497 20 10 DGCDRN Cc1ccc(C[C@@H](C)NC(=O)Cc2ccc(O)c(O)c2)c(C)c1 ZINC001585960976 1192295874 /nfs/dbraw/zinc/29/58/74/1192295874.db2.gz IJJKRTZNTPRATG-CQSZACIVSA-N 0 0 313.397 3.005 20 10 DGCDRN Cc1cc(N(C)C(=O)/C=C/c2ccc(Cl)nc2)ccc1O ZINC001587082013 1192367425 /nfs/dbraw/zinc/36/74/25/1192367425.db2.gz ALNZRAMLKJRJDI-XBXARRHUSA-N 0 0 302.761 3.425 20 10 DGCDRN C[C@@H](NC(=O)c1cc(F)cc(Cl)c1N)c1ccccc1O ZINC001587447120 1192399934 /nfs/dbraw/zinc/39/99/34/1192399934.db2.gz JPGLPZIKWFZGFY-MRVPVSSYSA-N 0 0 308.740 3.258 20 10 DGCDRN C[C@@H](NC(=O)CCc1ccc(F)cc1F)c1ccccc1O ZINC001587447730 1192400688 /nfs/dbraw/zinc/40/06/88/1192400688.db2.gz ZSXQGPBDXRFTJW-LLVKDONJSA-N 0 0 305.324 3.480 20 10 DGCDRN C[C@H](NC(=O)c1ncc(C(F)(F)F)s1)c1ccccc1O ZINC001587451317 1192400721 /nfs/dbraw/zinc/40/07/21/1192400721.db2.gz POISDLIGPNSJNL-ZETCQYMHSA-N 0 0 316.304 3.359 20 10 DGCDRN COc1ccc(F)c(C(=O)N[C@@H](C)c2ccccc2O)c1OC ZINC001587451538 1192400942 /nfs/dbraw/zinc/40/09/42/1192400942.db2.gz YZUZWGAGHIMMHB-JTQLQIEISA-N 0 0 319.332 3.040 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cccc(O)c1 ZINC001587547891 1192405783 /nfs/dbraw/zinc/40/57/83/1192405783.db2.gz UXYYFIOIVBBKIJ-UHFFFAOYSA-N 0 0 310.397 3.265 20 10 DGCDRN C[C@@H](C(=O)N1Cc2cccc(O)c2C1)c1c(F)cccc1F ZINC001587928066 1192425554 /nfs/dbraw/zinc/42/55/54/1192425554.db2.gz IJOJCPNXJALNKV-SNVBAGLBSA-N 0 0 303.308 3.316 20 10 DGCDRN O=C(Cc1ccccc1C(F)(F)F)N1Cc2cccc(O)c2C1 ZINC001587927809 1192425722 /nfs/dbraw/zinc/42/57/22/1192425722.db2.gz BRINHWPJAFLNBV-UHFFFAOYSA-N 0 0 321.298 3.496 20 10 DGCDRN CC(C)Nc1ccccc1NCc1ccccc1-c1nn[nH]n1 ZINC001589729278 1192472102 /nfs/dbraw/zinc/47/21/02/1192472102.db2.gz CUPDAHWJJMTIAP-UHFFFAOYSA-N 0 0 308.389 3.299 20 10 DGCDRN C[C@@H](Nc1cccc(C2CC2)n1)c1cccc(-c2nn[nH]n2)c1O ZINC001589983987 1192481275 /nfs/dbraw/zinc/48/12/75/1192481275.db2.gz IGWQEVWMMVGSHK-SNVBAGLBSA-N 0 0 322.372 3.018 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCc1cc2ccccc2[nH]1 ZINC001620867251 1192490807 /nfs/dbraw/zinc/49/08/07/1192490807.db2.gz APJUPZUINFBXNB-UHFFFAOYSA-N 0 0 302.324 3.484 20 10 DGCDRN CCOc1ccc(N(C)Cc2ccc(C)c(-c3nn[nH]n3)c2)cc1 ZINC001590837317 1192541150 /nfs/dbraw/zinc/54/11/50/1192541150.db2.gz LVVKKFJDIPGHQG-UHFFFAOYSA-N 0 0 323.400 3.210 20 10 DGCDRN Cc1cc(C)cc(C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2[O-])c1 ZINC001591951092 1192582013 /nfs/dbraw/zinc/58/20/13/1192582013.db2.gz IQSRYUQDXLYXGU-ZDUSSCGKSA-N 0 0 323.400 3.040 20 10 DGCDRN CN(C)c1cc(F)c(CNc2cccc3[nH]c(=O)oc32)cc1F ZINC001620958317 1192653974 /nfs/dbraw/zinc/65/39/74/1192653974.db2.gz KMWGGGCYVQTUKP-UHFFFAOYSA-N 0 0 319.311 3.490 20 10 DGCDRN CCCCC[C@H](O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001595318106 1192654455 /nfs/dbraw/zinc/65/44/55/1192654455.db2.gz LEUKUBRMEKJBJM-SFHVURJKSA-N 0 0 318.461 3.185 20 10 DGCDRN CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001595332129 1192655109 /nfs/dbraw/zinc/65/51/09/1192655109.db2.gz AKJXNWFPOYOGMX-KBPBESRZSA-N 0 0 305.418 3.361 20 10 DGCDRN CN(C)c1ccc(/C=C/c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000148437056 1176532983 /nfs/dbraw/zinc/53/29/83/1176532983.db2.gz WQMROPMLSGGIJZ-SNAWJCMRSA-N 0 0 316.426 3.295 20 10 DGCDRN C[C@@H](C(=O)NCc1c(O)ccc2ccccc21)c1ccncc1 ZINC001597743283 1192745369 /nfs/dbraw/zinc/74/53/69/1192745369.db2.gz ZOUIUXVTZYAZIO-CYBMUJFWSA-N 0 0 306.365 3.360 20 10 DGCDRN Cc1cc(C[NH2+]Cc2c[nH]c(C(=O)[O-])c2)c(C)n1-c1ccccc1 ZINC001600209080 1192809358 /nfs/dbraw/zinc/80/93/58/1192809358.db2.gz XFQICNKQNDGIGS-UHFFFAOYSA-N 0 0 323.396 3.410 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cc(C(=O)[O-])co1 ZINC001600236017 1192816639 /nfs/dbraw/zinc/81/66/39/1192816639.db2.gz FQIPXDIGIUVSTH-GFCCVEGCSA-N 0 0 302.374 3.203 20 10 DGCDRN Cc1ccc(O)c(C[NH2+]Cc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001600464400 1192858579 /nfs/dbraw/zinc/85/85/79/1192858579.db2.gz BIFDQYUJCIZWMW-UHFFFAOYSA-N 0 0 305.761 3.342 20 10 DGCDRN CO[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])c1ccc(F)cc1 ZINC001331726824 1178274938 /nfs/dbraw/zinc/27/49/38/1178274938.db2.gz VWRIRCWIFUQHAO-AWEZNQCLSA-N 0 0 311.303 3.287 20 10 DGCDRN O=C(CSCc1cccs1)N1Cc2cccc(O)c2C1 ZINC001331863698 1178294434 /nfs/dbraw/zinc/29/44/34/1178294434.db2.gz XXPNVZNUWTVGHD-UHFFFAOYSA-N 0 0 305.424 3.229 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1CCC[C@@H](F)C1)c1ccc(N(C)C)cc1 ZINC001332095097 1178356727 /nfs/dbraw/zinc/35/67/27/1178356727.db2.gz YOPYUIMBIGBENM-CFVMTHIKSA-N 0 0 307.413 3.394 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CCC[C@@H](F)C1 ZINC001332092152 1178357445 /nfs/dbraw/zinc/35/74/45/1178357445.db2.gz ACULDVWVHOTSTP-ZIAGYGMSSA-N 0 0 320.408 3.351 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCCCC(F)F ZINC001332377366 1178430899 /nfs/dbraw/zinc/43/08/99/1178430899.db2.gz SJQDUFWQRHRKDU-UHFFFAOYSA-N 0 0 300.349 3.359 20 10 DGCDRN CCc1nccc(N[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC001333349434 1178592980 /nfs/dbraw/zinc/59/29/80/1178592980.db2.gz DRYLFLAWDTUTRA-CQSZACIVSA-N 0 0 312.417 3.049 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OC[C@@H]1CCC2(CCC2)CO1 ZINC001333882689 1178690061 /nfs/dbraw/zinc/69/00/61/1178690061.db2.gz FMBRTRWNOFVMOJ-MFBWXBCUSA-N 0 0 318.369 3.004 20 10 DGCDRN Cc1noc(C2CC2)c1NC(=O)NCc1c(O)cccc1F ZINC001334304739 1178747334 /nfs/dbraw/zinc/74/73/34/1178747334.db2.gz FJPVEMRNPVFILT-UHFFFAOYSA-N 0 0 305.309 3.027 20 10 DGCDRN O=C(NCc1ccc(N2CCSCC2)cc1)[C@]12C[C@H]1CCC2 ZINC001334830071 1178808890 /nfs/dbraw/zinc/80/88/90/1178808890.db2.gz WUKCEYZZVXLTKX-CRAIPNDOSA-N 0 0 316.470 3.046 20 10 DGCDRN Cn1c2ccc(F)cc2c(C[NH2+][C@H]2CCC2(C)C)c1C(=O)[O-] ZINC001600902082 1192909723 /nfs/dbraw/zinc/90/97/23/1192909723.db2.gz POVRYVVAAMNFGQ-AWEZNQCLSA-N 0 0 304.365 3.294 20 10 DGCDRN Nc1ccc(CNC(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC001335452191 1178912973 /nfs/dbraw/zinc/91/29/73/1178912973.db2.gz OVCBRNVJOGOFHF-IEBWSBKVSA-N 0 0 323.440 3.479 20 10 DGCDRN C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)c1cc([N+](=O)[O-])ccc1[O-] ZINC001336093193 1178992398 /nfs/dbraw/zinc/99/23/98/1178992398.db2.gz FORFIDYEMJMHBD-FZMOHWGLSA-N 0 0 308.403 3.378 20 10 DGCDRN O=C(C[C@H]1CCNc2ccccc21)NCc1c(O)cccc1F ZINC001341767537 1179058584 /nfs/dbraw/zinc/05/85/84/1179058584.db2.gz RDKFDDPGWCCULD-GFCCVEGCSA-N 0 0 314.360 3.137 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)C1(Sc2ccccc2)CC1 ZINC001341947069 1179084672 /nfs/dbraw/zinc/08/46/72/1179084672.db2.gz VRHQWYAPZBWOEH-UHFFFAOYSA-N 0 0 315.394 3.039 20 10 DGCDRN Clc1nccnc1NCc1ccc(N2CCSCC2)cc1 ZINC001342830813 1179194275 /nfs/dbraw/zinc/19/42/75/1179194275.db2.gz RABOSLQLMBNDFS-UHFFFAOYSA-N 0 0 320.849 3.295 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)C[C@H]1CCNc2ccccc21 ZINC001343165177 1179240248 /nfs/dbraw/zinc/24/02/48/1179240248.db2.gz WNCUHXNBRULLLP-CQSZACIVSA-N 0 0 310.397 3.340 20 10 DGCDRN O=C(c1ccnc2c1CCN2)N(CC1CCC1)c1ccccc1 ZINC001343317635 1179255385 /nfs/dbraw/zinc/25/53/85/1179255385.db2.gz SRXPHPXWMLVMER-UHFFFAOYSA-N 0 0 307.397 3.035 20 10 DGCDRN CO[C@H]1CC[C@H]([NH2+]Cc2cc(C)cc(Br)c2[O-])C1 ZINC001343464730 1179280743 /nfs/dbraw/zinc/28/07/43/1179280743.db2.gz QFOALMBNSKIEIM-RYUDHWBXSA-N 0 0 314.223 3.120 20 10 DGCDRN COc1cc(C2(C(=O)NCc3ccc(N)cc3)CCC2)ccc1C ZINC001343565798 1179297762 /nfs/dbraw/zinc/29/77/62/1179297762.db2.gz ANHCQYFWAVQQHR-UHFFFAOYSA-N 0 0 324.424 3.324 20 10 DGCDRN OC[C@H]1CN(Cc2ccc(N3CCCC3)cc2)c2ccccc21 ZINC001343973543 1179358730 /nfs/dbraw/zinc/35/87/30/1179358730.db2.gz WMZIJJYYXUWXPH-QGZVFWFLSA-N 0 0 308.425 3.383 20 10 DGCDRN CC[C@H]1c2ccccc2CCN1C(=O)NCc1ccc(N)cc1 ZINC001346738958 1179741037 /nfs/dbraw/zinc/74/10/37/1179741037.db2.gz LHECNJPXFKYLIA-SFHVURJKSA-N 0 0 309.413 3.488 20 10 DGCDRN CCS[C@@H]1CCCCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001346739219 1179741163 /nfs/dbraw/zinc/74/11/63/1179741163.db2.gz OOVITTSEEPCCJY-OAHLLOKOSA-N 0 0 307.463 3.086 20 10 DGCDRN C[C@H](OC1CCCCC1)C(=O)NCc1cc(Cl)ccc1O ZINC001349649258 1179927008 /nfs/dbraw/zinc/92/70/08/1179927008.db2.gz CADJQOQXJQRKCS-NSHDSACASA-N 0 0 311.809 3.400 20 10 DGCDRN C/C(=C/C(=O)N1CCCc2c(F)cc(F)cc21)c1cnccn1 ZINC001350185498 1180031778 /nfs/dbraw/zinc/03/17/78/1180031778.db2.gz NCLMLIOOEPBJMR-XFFZJAGNSA-N 0 0 315.323 3.138 20 10 DGCDRN CCCCOc1ccc(C(=O)NCc2cccc(O)c2O)cc1 ZINC001350299894 1180048477 /nfs/dbraw/zinc/04/84/77/1180048477.db2.gz JZQLVVFJPLYISF-UHFFFAOYSA-N 0 0 315.369 3.207 20 10 DGCDRN C[C@H](CO)[N@H+](Cc1ccccc1)Cc1cc(F)cc(F)c1[O-] ZINC001350309585 1180049829 /nfs/dbraw/zinc/04/98/29/1180049829.db2.gz JXBGFLSHYQLRDH-GFCCVEGCSA-N 0 0 307.340 3.053 20 10 DGCDRN C/C(=C\C(=O)N1CCCSc2ccccc21)c1cnccn1 ZINC001350753528 1180117312 /nfs/dbraw/zinc/11/73/12/1180117312.db2.gz ANODEPVPJYCTNT-ACCUITESSA-N 0 0 311.410 3.409 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)[C@]3(C)C=CCC3)CC2)cc1 ZINC001351768564 1180246796 /nfs/dbraw/zinc/24/67/96/1180246796.db2.gz KGMDBKLQCPHLEW-LJQANCHMSA-N 0 0 314.429 3.090 20 10 DGCDRN COc1ccc(CNc2nc(C3CC3)nc3[nH]ccc32)c(O)c1 ZINC001351783389 1180248323 /nfs/dbraw/zinc/24/83/23/1180248323.db2.gz LSVUADQJEWSVAX-UHFFFAOYSA-N 0 0 310.357 3.162 20 10 DGCDRN COC[C@H](C)[C@@H](C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001352616038 1180370351 /nfs/dbraw/zinc/37/03/51/1180370351.db2.gz WLSBHNUUIDOGRM-JKSUJKDBSA-N 0 0 318.461 3.164 20 10 DGCDRN CCCCc1ccc(CC(=O)NCc2cccc(O)c2O)cc1 ZINC001352657799 1180376697 /nfs/dbraw/zinc/37/66/97/1180376697.db2.gz KXRYSONCWFZOGH-UHFFFAOYSA-N 0 0 313.397 3.299 20 10 DGCDRN Cc1ccc(CNC(=S)N(C)Cc2ccccc2O)cc1 ZINC001200316454 1180537933 /nfs/dbraw/zinc/53/79/33/1180537933.db2.gz QWPVGQJPMQDLES-UHFFFAOYSA-N 0 0 300.427 3.207 20 10 DGCDRN C[C@H](NC(=O)NC[C@H]1CCC2(CCC2)CO1)c1ccccc1O ZINC001353383766 1180544435 /nfs/dbraw/zinc/54/44/35/1180544435.db2.gz GSZRCQDUUXAHKX-UONOGXRCSA-N 0 0 318.417 3.102 20 10 DGCDRN CC(C)[C@@H](NC(=O)c1cccc(O)c1O)c1ccccc1F ZINC001300454918 1180688797 /nfs/dbraw/zinc/68/87/97/1180688797.db2.gz DSBHJBQFWFFDNL-OAHLLOKOSA-N 0 0 303.333 3.364 20 10 DGCDRN CC[C@@H](F)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001354113816 1180723518 /nfs/dbraw/zinc/72/35/18/1180723518.db2.gz OKEMHOWVVZAKJQ-OAHLLOKOSA-N 0 0 311.312 3.149 20 10 DGCDRN Fc1cnc(CNC(=S)Nc2ccc(F)c(F)c2)c(F)c1 ZINC001200704382 1180839043 /nfs/dbraw/zinc/83/90/43/1180839043.db2.gz NRSIGGITLORQRV-UHFFFAOYSA-N 0 0 315.295 3.125 20 10 DGCDRN C[C@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)N1CCCC[C@@H]1C ZINC001604331809 1193065868 /nfs/dbraw/zinc/06/58/68/1193065868.db2.gz GSHIPBVKXDIYGF-MJBXVCDLSA-N 0 0 320.433 3.004 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccccc1CC(=O)[O-])c1cc(F)ccc1O ZINC001604346533 1193067772 /nfs/dbraw/zinc/06/77/72/1193067772.db2.gz JOMKLVYMHRJGCN-LLVKDONJSA-N 0 0 303.333 3.009 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CC(F)(F)F ZINC001356267099 1181166839 /nfs/dbraw/zinc/16/68/39/1181166839.db2.gz MMZLVHZZRYDYOZ-UHFFFAOYSA-N 0 0 300.324 3.198 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@]1(C)CCCOC1 ZINC001356265097 1181167094 /nfs/dbraw/zinc/16/70/94/1181167094.db2.gz AISHYJCUJAMAMV-IBGZPJMESA-N 0 0 316.445 3.062 20 10 DGCDRN C[C@@H]1C[C@H](C)C[N@H+]1Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001604664197 1193086829 /nfs/dbraw/zinc/08/68/29/1193086829.db2.gz DOMYCHVJFGQPCC-WDEREUQCSA-N 0 0 304.365 3.246 20 10 DGCDRN O=C(c1cccc2c1CCN2)N1CCN(C2CC2)c2ccccc21 ZINC001357527056 1181404778 /nfs/dbraw/zinc/40/47/78/1181404778.db2.gz XHYNYBFOPZPVJI-UHFFFAOYSA-N 0 0 319.408 3.284 20 10 DGCDRN COc1ccc(N(C)C[C@@H]2COC3(CCCCC3)O2)c(OC)c1 ZINC001473295133 1181416985 /nfs/dbraw/zinc/41/69/85/1181416985.db2.gz XOFPOXAOKGLRRC-OAHLLOKOSA-N 0 0 321.417 3.216 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C(=O)c2cccc(C)c2)cc1 ZINC001357724035 1181423040 /nfs/dbraw/zinc/42/30/40/1181423040.db2.gz FJRJVLIHKIAYSD-UHFFFAOYSA-N 0 0 324.424 3.340 20 10 DGCDRN C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)NCc1ccc(N)cc1 ZINC001357791852 1181427986 /nfs/dbraw/zinc/42/79/86/1181427986.db2.gz QCBSLAYPKPXPFR-JQWIXIFHSA-N 0 0 315.339 3.141 20 10 DGCDRN O=C(c1cccc(O)c1O)N(Cc1ccccc1F)C1CCC1 ZINC001545734832 1181758504 /nfs/dbraw/zinc/75/85/04/1181758504.db2.gz AIJLDXSTTZKEAX-UHFFFAOYSA-N 0 0 315.344 3.432 20 10 DGCDRN Cc1ncccc1/C=C/C(=O)N1CCOc2c(F)cc(F)cc21 ZINC001437291716 1181929381 /nfs/dbraw/zinc/92/93/81/1181929381.db2.gz YHUGXVONRLIYQG-SNAWJCMRSA-N 0 0 316.307 3.107 20 10 DGCDRN CCCCSCC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001437382441 1181931602 /nfs/dbraw/zinc/93/16/02/1181931602.db2.gz GCBKPOKBWGUTLB-UHFFFAOYSA-N 0 0 324.490 3.123 20 10 DGCDRN CSc1cccc(N(C)C(=O)Cc2ccc(O)c(O)c2)c1 ZINC001442876730 1182091505 /nfs/dbraw/zinc/09/15/05/1182091505.db2.gz ZZNRXNXHTMTVEX-UHFFFAOYSA-N 0 0 303.383 3.025 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1C[C@H](O)C1(C)C ZINC001448027981 1182199982 /nfs/dbraw/zinc/19/99/82/1182199982.db2.gz NRELICAQZBMGBS-KGLIPLIRSA-N 0 0 318.442 3.045 20 10 DGCDRN CCC[C@@H]1CCCC[C@H]1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001451454811 1182269905 /nfs/dbraw/zinc/26/99/05/1182269905.db2.gz GWIDSQFTTLDBKW-CABCVRRESA-N 0 0 305.418 3.363 20 10 DGCDRN CCN(Cc1occc1C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001451629575 1182272798 /nfs/dbraw/zinc/27/27/98/1182272798.db2.gz DFENQUWCOZTVEW-ALCCZGGFSA-N 0 0 301.342 3.061 20 10 DGCDRN CN(Cc1ccns1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001453128490 1182310259 /nfs/dbraw/zinc/31/02/59/1182310259.db2.gz DGAFIXMFPLHDEX-UHFFFAOYSA-N 0 0 320.395 3.041 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](CO)C1CCC1 ZINC001453313708 1182312701 /nfs/dbraw/zinc/31/27/01/1182312701.db2.gz QVTHFKHDNDQPPF-CQSZACIVSA-N 0 0 318.442 3.046 20 10 DGCDRN Cc1ccc(C(=O)N[C@H]2[C@H](c3ccccc3)C2(C)C)c(O)c1O ZINC001453880094 1182326599 /nfs/dbraw/zinc/32/65/99/1182326599.db2.gz VALRCGLKJMBVNE-YOEHRIQHSA-N 0 0 311.381 3.328 20 10 DGCDRN Cc1cc(CNC(=O)c2cnc[nH]2)c(C)n1-c1cccc(C)c1 ZINC001454626878 1182349086 /nfs/dbraw/zinc/34/90/86/1182349086.db2.gz SZZFVEJITCBSTH-UHFFFAOYSA-N 0 0 308.385 3.056 20 10 DGCDRN Cc1cc(C(=O)NC2(C)COC2)c(C)n1-c1cccc(Cl)c1 ZINC001454648772 1182350087 /nfs/dbraw/zinc/35/00/87/1182350087.db2.gz FZGQELTVRYNORV-UHFFFAOYSA-N 0 0 318.804 3.266 20 10 DGCDRN Cc1noc2nc(C)cc(C(=O)N[C@@H](C)c3ccccc3O)c12 ZINC001454813792 1182353346 /nfs/dbraw/zinc/35/33/46/1182353346.db2.gz DKHJVMKJKBMJGV-JTQLQIEISA-N 0 0 311.341 3.036 20 10 DGCDRN C[C@@H](NC(=O)c1cccc(-n2cccn2)c1)c1ccccc1O ZINC001454808081 1182353380 /nfs/dbraw/zinc/35/33/80/1182353380.db2.gz SLKVKARYJUORSO-CYBMUJFWSA-N 0 0 307.353 3.069 20 10 DGCDRN C[C@@H](NC(=O)CCc1nc2ccccc2o1)c1ccccc1O ZINC001454792699 1182353491 /nfs/dbraw/zinc/35/34/91/1182353491.db2.gz FFJSOZPVZPXQHD-GFCCVEGCSA-N 0 0 310.353 3.343 20 10 DGCDRN C[C@@H](NC(=O)c1cnnc(-c2ccccc2)c1)c1ccccc1O ZINC001454807155 1182353533 /nfs/dbraw/zinc/35/35/33/1182353533.db2.gz QGQFGRINLFRIAM-CYBMUJFWSA-N 0 0 319.364 3.340 20 10 DGCDRN COc1cnc2ccccc2c1C(=O)N[C@H](C)c1ccccc1O ZINC001454803906 1182353688 /nfs/dbraw/zinc/35/36/88/1182353688.db2.gz HJZIPZSTGGQTDD-GFCCVEGCSA-N 0 0 322.364 3.440 20 10 DGCDRN Cc1ccc(C(=O)N2Cc3cccc(O)c3C2)c(N)c1Cl ZINC001455037267 1182358825 /nfs/dbraw/zinc/35/88/25/1182358825.db2.gz OELFSJJGBRTWOB-UHFFFAOYSA-N 0 0 302.761 3.092 20 10 DGCDRN C[C@H](C(=O)N1Cc2cccc(O)c2C1)c1ccc(F)cc1F ZINC001455037727 1182358833 /nfs/dbraw/zinc/35/88/33/1182358833.db2.gz UGYGWYHNQOOSNU-JTQLQIEISA-N 0 0 303.308 3.316 20 10 DGCDRN COc1cc(C(=O)N2Cc3cccc(O)c3C2)c2ccccc2n1 ZINC001455036320 1182358892 /nfs/dbraw/zinc/35/88/92/1182358892.db2.gz GLIVQCSNNMJFPR-UHFFFAOYSA-N 0 0 320.348 3.105 20 10 DGCDRN C[C@@H](CC(=O)NCc1cc(O)ccc1O)c1ccc(F)cc1F ZINC001455355639 1182367224 /nfs/dbraw/zinc/36/72/24/1182367224.db2.gz DSKVDMOLROTPFU-JTQLQIEISA-N 0 0 321.323 3.186 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1ccn(Cc2ccccc2)c1 ZINC001456029951 1182394691 /nfs/dbraw/zinc/39/46/91/1182394691.db2.gz OXPXTFQAWMRSEK-UHFFFAOYSA-N 0 0 324.355 3.311 20 10 DGCDRN Cc1cccc(C2(C(=O)NCc3c(O)cccc3O)CCC2)c1 ZINC001456232863 1182407570 /nfs/dbraw/zinc/40/75/70/1182407570.db2.gz CFSRFFNKPRFLEP-UHFFFAOYSA-N 0 0 311.381 3.144 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)[C@H]1CCCCS1 ZINC001456306925 1182409261 /nfs/dbraw/zinc/40/92/61/1182409261.db2.gz AUAJNJCAGPGGKS-MRXNPFEDSA-N 0 0 301.411 3.447 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cnc(C2CC2)nc1 ZINC001456312024 1182409744 /nfs/dbraw/zinc/40/97/44/1182409744.db2.gz WRBOTGCLNLZASO-UHFFFAOYSA-N 0 0 319.364 3.143 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC/C=C\Cl)c1 ZINC001456887754 1182434596 /nfs/dbraw/zinc/43/45/96/1182434596.db2.gz OOCBMHLSGJKWLG-DAXSKMNVSA-N 0 0 316.788 3.389 20 10 DGCDRN C[NH+](C)Cc1cccc(C(=O)NCc2cccc(Cl)c2O)c1 ZINC001457037351 1182441121 /nfs/dbraw/zinc/44/11/21/1182441121.db2.gz QQFAVRRGONAYPO-UHFFFAOYSA-N 0 0 318.804 3.037 20 10 DGCDRN COc1ccc(C)cc1[C@H](C)NC(=O)c1c(F)ccc(O)c1O ZINC001457848112 1182483550 /nfs/dbraw/zinc/48/35/50/1182483550.db2.gz FZSHFWCKYKSIAZ-JTQLQIEISA-N 0 0 319.332 3.045 20 10 DGCDRN C[C@H](NC(=O)c1cccnc1Br)c1ccccc1O ZINC001457975076 1182487933 /nfs/dbraw/zinc/48/79/33/1182487933.db2.gz YLBHRPPRODHZGV-VIFPVBQESA-N 0 0 321.174 3.041 20 10 DGCDRN COC(=O)c1cnc(N[C@H](C)c2ccccc2O)c(Cl)c1 ZINC001458542944 1182538062 /nfs/dbraw/zinc/53/80/62/1182538062.db2.gz CIMZMVVVYOKFIM-SECBINFHSA-N 0 0 306.749 3.400 20 10 DGCDRN O=[N+]([O-])c1ccc(NCc2c(O)cccc2O)c2ncccc12 ZINC001458645886 1182545931 /nfs/dbraw/zinc/54/59/31/1182545931.db2.gz SYCCLGSWAYRPLV-UHFFFAOYSA-N 0 0 311.297 3.166 20 10 DGCDRN CCOC(=O)C1(NCc2ccc(N(C)CC)cc2)CCCCC1 ZINC001459700831 1182607210 /nfs/dbraw/zinc/60/72/10/1182607210.db2.gz KFEKOPDCPJCTDN-UHFFFAOYSA-N 0 0 318.461 3.498 20 10 DGCDRN COc1ccc2c(c1)CCCCN2Cc1nc(CC2CC2)no1 ZINC001459779663 1182614942 /nfs/dbraw/zinc/61/49/42/1182614942.db2.gz PEXHRZARVIOQSJ-UHFFFAOYSA-N 0 0 313.401 3.374 20 10 DGCDRN COC(=O)CCCN1C[C@H](C(C)C)Cc2cc(OC)ccc21 ZINC001460285738 1182672889 /nfs/dbraw/zinc/67/28/89/1182672889.db2.gz OLLRULBVRSEECS-OAHLLOKOSA-N 0 0 305.418 3.283 20 10 DGCDRN Cc1cc(CN(C)Cc2ccn(C)n2)ccc1N1CCCCC1 ZINC001460935073 1182742326 /nfs/dbraw/zinc/74/23/26/1182742326.db2.gz LUERHBBMCZHWQB-UHFFFAOYSA-N 0 0 312.461 3.351 20 10 DGCDRN CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])c1 ZINC001461020488 1182757787 /nfs/dbraw/zinc/75/77/87/1182757787.db2.gz BUMDKWPNLBSOMK-SNVBAGLBSA-N 0 0 320.339 3.480 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@H]2CCCCO2)c1 ZINC001461130623 1182771355 /nfs/dbraw/zinc/77/13/55/1182771355.db2.gz ZPCVKXVJNLHIAB-GFCCVEGCSA-N 0 0 314.223 3.122 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H](CO)c1ccccc1 ZINC001461258594 1182788015 /nfs/dbraw/zinc/78/80/15/1182788015.db2.gz YYSDAUPSWFTBPX-ZDUSSCGKSA-N 0 0 309.768 3.050 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H](C)C2CCCC2)cc1 ZINC001461333267 1182795979 /nfs/dbraw/zinc/79/59/79/1182795979.db2.gz BMVAYVPMSBQJBP-OAHLLOKOSA-N 0 0 318.461 3.416 20 10 DGCDRN CN(C)c1ccc(/C=C/CNc2cccc3c2oc(=O)n3C)cc1 ZINC001461347781 1182797370 /nfs/dbraw/zinc/79/73/70/1182797370.db2.gz OEDZVTMHKZLDJY-AATRIKPKSA-N 0 0 323.396 3.323 20 10 DGCDRN C/C(=C\C(=O)N(C)c1ccc(F)cc1Cl)c1cnccn1 ZINC001461434242 1182814488 /nfs/dbraw/zinc/81/44/88/1182814488.db2.gz GIXWQWIEDLUPLM-JXMROGBWSA-N 0 0 305.740 3.335 20 10 DGCDRN CC(C)[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C1(CO)CCCC1 ZINC001462317733 1182938584 /nfs/dbraw/zinc/93/85/84/1182938584.db2.gz XJKHXFMLSBPFDG-MRXNPFEDSA-N 0 0 313.388 3.337 20 10 DGCDRN CC[C@H]1CN(Cc2cc(F)c(N(C)C)cc2F)C[C@H](CC)O1 ZINC001462358741 1182942482 /nfs/dbraw/zinc/94/24/82/1182942482.db2.gz XTBYTLNPLZGJBC-KBPBESRZSA-N 0 0 312.404 3.420 20 10 DGCDRN Cc1cccn2cc(C(=O)NCc3ccc(N(C)C)cc3)cc12 ZINC001463728596 1183042931 /nfs/dbraw/zinc/04/29/31/1183042931.db2.gz WTZSIPWYQJCKIX-UHFFFAOYSA-N 0 0 307.397 3.244 20 10 DGCDRN Cc1cc(C)c2c(c1)N(C(=O)/C=C\c1cncc(O)c1)CCC2 ZINC001464793478 1183112829 /nfs/dbraw/zinc/11/28/29/1183112829.db2.gz RIFAAFNKGSBMTQ-WAYWQWQTSA-N 0 0 308.381 3.397 20 10 DGCDRN CCCC[C@H](O)CCC(=O)NCc1ccc(N(C)C)cc1C ZINC001465028507 1183126292 /nfs/dbraw/zinc/12/62/92/1183126292.db2.gz GHAYBUFEDYZZDI-KRWDZBQOSA-N 0 0 306.450 3.009 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N[C@H](CC1CC1)c1ccccc1 ZINC001465221066 1183136905 /nfs/dbraw/zinc/13/69/05/1183136905.db2.gz RTSVISBXTDZUER-MRXNPFEDSA-N 0 0 311.381 3.298 20 10 DGCDRN COC(=O)c1cc(Cl)cc(NC(=O)C2=CC(=O)CS2)c1 ZINC001465268953 1183138893 /nfs/dbraw/zinc/13/88/93/1183138893.db2.gz ISPZAWYJWLWHRW-UHFFFAOYSA-N 0 0 311.746 3.146 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)NCc1cccc(Cl)c1O ZINC001606860746 1193206248 /nfs/dbraw/zinc/20/62/48/1193206248.db2.gz RIGCTKCZSZOPHF-AATRIKPKSA-N 0 0 302.761 3.079 20 10 DGCDRN Cc1ccc(C)c(OCC(=O)NCc2cccc(Cl)c2O)c1 ZINC001606860698 1193206633 /nfs/dbraw/zinc/20/66/33/1193206633.db2.gz QACSEVBAMPKQLT-UHFFFAOYSA-N 0 0 319.788 3.358 20 10 DGCDRN C[C@@H](CC(=O)c1ccc(F)cc1)C(=O)NCc1ccccc1O ZINC001465990337 1183180578 /nfs/dbraw/zinc/18/05/78/1183180578.db2.gz IMBIAXYNJZNFNS-LBPRGKRZSA-N 0 0 315.344 3.057 20 10 DGCDRN CO[C@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)c1ccccc1 ZINC001606679247 1193202592 /nfs/dbraw/zinc/20/25/92/1193202592.db2.gz AYPMPCKJOVEYLU-YVEFUNNKSA-N 0 0 315.369 3.129 20 10 DGCDRN COc1ccc(CNC(=O)C/C=C/Cc2ccccc2)c(O)c1 ZINC001467469485 1183263892 /nfs/dbraw/zinc/26/38/92/1183263892.db2.gz ACAADOFOUZZHOB-AATRIKPKSA-N 0 0 311.381 3.206 20 10 DGCDRN O=C(CCc1ccccc1F)NCc1ccc2cccnc2c1O ZINC001469252574 1183393954 /nfs/dbraw/zinc/39/39/54/1183393954.db2.gz MXCCDGRSUOGELK-UHFFFAOYSA-N 0 0 324.355 3.329 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1C[C@H](C)O[C@@H]1C ZINC001471111776 1183538938 /nfs/dbraw/zinc/53/89/38/1183538938.db2.gz FEHWVBFCNPEAKQ-BFHYXJOUSA-N 0 0 318.442 3.451 20 10 DGCDRN CCOC(=O)C=Cc1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC001471397691 1183560597 /nfs/dbraw/zinc/56/05/97/1183560597.db2.gz ANHWENRIYIQQDF-YVMONPNESA-N 0 0 317.366 3.282 20 10 DGCDRN CC(C)c1cc(C(=O)NCc2c(O)ccc3ccccc32)nn1C ZINC001472084901 1183614347 /nfs/dbraw/zinc/61/43/47/1183614347.db2.gz GVEQLICYQCNKOI-UHFFFAOYSA-N 0 0 323.396 3.332 20 10 DGCDRN Cc1cn(C(C)(C)C(=O)NCc2c(O)ccc3ccccc32)cn1 ZINC001472085542 1183614354 /nfs/dbraw/zinc/61/43/54/1183614354.db2.gz VFENJWZWXGOMFD-UHFFFAOYSA-N 0 0 323.396 3.102 20 10 DGCDRN Cc1ccccc1COCC(=O)NCc1cccc(Cl)c1O ZINC001472316625 1183634443 /nfs/dbraw/zinc/63/44/43/1183634443.db2.gz ACUYPIPFLIEFMI-UHFFFAOYSA-N 0 0 319.788 3.187 20 10 DGCDRN CO[C@@H](C(=O)NCc1cccc(Cl)c1O)c1ccc(F)cc1 ZINC001472317088 1183634472 /nfs/dbraw/zinc/63/44/72/1183634472.db2.gz UXKCCTUHUVMAGZ-OAHLLOKOSA-N 0 0 323.751 3.189 20 10 DGCDRN Cc1cc([C@@H](C)NC(=O)c2c(F)ccc(O)c2O)ccc1F ZINC001472567865 1183653143 /nfs/dbraw/zinc/65/31/43/1183653143.db2.gz QKGWYAIBNZOSCQ-SECBINFHSA-N 0 0 307.296 3.175 20 10 DGCDRN CCO[C@@H](CN1CCCc2cc(OC)cc(OC)c21)C1CC1 ZINC001473554159 1183772288 /nfs/dbraw/zinc/77/22/88/1183772288.db2.gz YLJJHHWKIIJYIT-KRWDZBQOSA-N 0 0 305.418 3.272 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2Cc3ccccc3CO2)c1O ZINC001473734046 1183795389 /nfs/dbraw/zinc/79/53/89/1183795389.db2.gz NABMZUXQZPJFLZ-UHFFFAOYSA-N 0 0 301.317 3.181 20 10 DGCDRN CN(C)c1ccc(CN2CCS[C@@H](C(F)(F)F)C2)cc1 ZINC001473800511 1183804205 /nfs/dbraw/zinc/80/42/05/1183804205.db2.gz MEEGUPVNXBACDK-CYBMUJFWSA-N 0 0 304.381 3.232 20 10 DGCDRN Cc1cc(C[NH2+]Cc2ccc(N3CCCC3)cc2)oc1C(=O)[O-] ZINC001607648533 1193244898 /nfs/dbraw/zinc/24/48/98/1193244898.db2.gz MTPFFNVLBUEJJA-UHFFFAOYSA-N 0 0 314.385 3.176 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCn1cnc2ccccc21 ZINC001473961287 1183838918 /nfs/dbraw/zinc/83/89/18/1183838918.db2.gz BAJYBEBTJXXMAD-UHFFFAOYSA-N 0 0 319.767 3.324 20 10 DGCDRN CCS[C@H]1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001474038131 1183856404 /nfs/dbraw/zinc/85/64/04/1183856404.db2.gz LRXBBEDUMGSERO-OCCSQVGLSA-N 0 0 310.419 3.454 20 10 DGCDRN CN(C)c1cncc(NCc2c(O)cccc2Br)c1 ZINC001474232097 1183886129 /nfs/dbraw/zinc/88/61/29/1183886129.db2.gz ADBWKDSZWCQHHG-UHFFFAOYSA-N 0 0 322.206 3.228 20 10 DGCDRN CC[C@H](C)N(C/C=C\c1ccc(N(C)C)cc1)CC(=O)OC ZINC001474482316 1183929200 /nfs/dbraw/zinc/92/92/00/1183929200.db2.gz XHARXIAQCBAEAL-LZNQSLFOSA-N 0 0 304.434 3.039 20 10 DGCDRN COc1cc(CCO)ccc1NCc1ccc(Cl)cc1O ZINC001474490422 1183930268 /nfs/dbraw/zinc/93/02/68/1183930268.db2.gz ZVQPHPRZKYYSPN-UHFFFAOYSA-N 0 0 307.777 3.201 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2C[C@H](C(C)C)[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC001474521472 1183934942 /nfs/dbraw/zinc/93/49/42/1183934942.db2.gz MJBWEGSUOYQMRD-UKRRQHHQSA-N 0 0 322.405 3.421 20 10 DGCDRN C[C@H]1CN(Cc2cc(F)c(F)cc2O)c2ccccc2NC1=O ZINC001474522267 1183935089 /nfs/dbraw/zinc/93/50/89/1183935089.db2.gz KLMPQDHYTZYLJS-JTQLQIEISA-N 0 0 318.323 3.265 20 10 DGCDRN COC(=O)c1ccc(Cl)c(CN2Cc3cccc(O)c3C2)c1 ZINC001474677166 1183960799 /nfs/dbraw/zinc/96/07/99/1183960799.db2.gz FLGRCIIWCFLQJO-UHFFFAOYSA-N 0 0 317.772 3.348 20 10 DGCDRN COC(=O)C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])C(C)(C)C ZINC001474725811 1183968958 /nfs/dbraw/zinc/96/89/58/1183968958.db2.gz MXFZNKHYBIKCOI-LBPRGKRZSA-N 0 0 317.788 3.252 20 10 DGCDRN COC(=O)c1cc(C)cc(NCc2cc(F)c(F)cc2O)c1 ZINC001474730423 1183969887 /nfs/dbraw/zinc/96/98/87/1183969887.db2.gz WVUHSFXJDYQXOV-UHFFFAOYSA-N 0 0 307.296 3.378 20 10 DGCDRN Cc1ccc(C[N@@H+]2CCc3c(F)ccc(C(=O)[O-])c3C2)c(O)c1 ZINC001607781291 1193256889 /nfs/dbraw/zinc/25/68/89/1193256889.db2.gz NSQLZQJBFKAOPS-UHFFFAOYSA-N 0 0 315.344 3.096 20 10 DGCDRN COc1ccc(C)cc1NC(=O)NCc1c(O)cccc1F ZINC001475908400 1184021970 /nfs/dbraw/zinc/02/19/70/1184021970.db2.gz JYBFZWAXASYJDE-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN Cc1cc(CNC(=O)N2Cc3cccc(O)c3C2)ccc1F ZINC001477370388 1184084912 /nfs/dbraw/zinc/08/49/12/1184084912.db2.gz MNGAJJLYOYATDQ-UHFFFAOYSA-N 0 0 300.333 3.065 20 10 DGCDRN COc1cccc(CNC(=O)NCC[C@@H]2CCCC2(C)C)c1O ZINC001479016675 1184194027 /nfs/dbraw/zinc/19/40/27/1184194027.db2.gz DEEBWFDSEXPUKD-AWEZNQCLSA-N 0 0 320.433 3.416 20 10 DGCDRN Cc1sc([C@@H]2CCC[N@@H+]2Cc2ccc(N)cc2)nc1C(=O)[O-] ZINC001608067226 1193277074 /nfs/dbraw/zinc/27/70/74/1193277074.db2.gz GKNKSIQEXFOVJM-ZDUSSCGKSA-N 0 0 317.414 3.069 20 10 DGCDRN O=C([O-])/C=C/c1ccc(C[NH2+]Cc2cc(Cl)ccc2O)o1 ZINC001608660523 1193298593 /nfs/dbraw/zinc/29/85/93/1193298593.db2.gz UJGAKKZXUSBKIT-GQCTYLIASA-N 0 0 307.733 3.026 20 10 DGCDRN CC[C@@H](C)c1nnc(N(C)Cc2ccccc2O)n1C1CC1 ZINC001495138151 1185003328 /nfs/dbraw/zinc/00/33/28/1185003328.db2.gz UFLUZWNZLMGVGM-GFCCVEGCSA-N 0 0 300.406 3.469 20 10 DGCDRN C[C@H]([NH2+][C@@H]1COCc2ccccc21)c1cc(C(=O)[O-])ccc1O ZINC001609774829 1193355166 /nfs/dbraw/zinc/35/51/66/1193355166.db2.gz CAAXWAVOIHIBMT-MEDUHNTESA-N 0 0 313.353 3.013 20 10 DGCDRN CCc1nnc(N(CC)CC)n1Cc1ccc(N(C)C)cc1C ZINC001498753866 1185540268 /nfs/dbraw/zinc/54/02/68/1185540268.db2.gz TXRJWKANKREJNG-UHFFFAOYSA-N 0 0 315.465 3.109 20 10 DGCDRN CC[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1(C(=O)[O-])CCC1 ZINC001609929856 1193365810 /nfs/dbraw/zinc/36/58/10/1193365810.db2.gz BLCGYVPFJKKQSC-QGZVFWFLSA-N 0 0 316.445 3.410 20 10 DGCDRN COc1cc(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)ccc1C ZINC001610297788 1193381433 /nfs/dbraw/zinc/38/14/33/1193381433.db2.gz SDNLESBLZKDFIF-LBPRGKRZSA-N 0 0 315.369 3.258 20 10 DGCDRN CCN(C)c1nnc(C2CC2)n1Cc1ccc(N(C)C)cc1C ZINC001501466257 1185903970 /nfs/dbraw/zinc/90/39/70/1185903970.db2.gz XKVGCAJNAONGPZ-UHFFFAOYSA-N 0 0 313.449 3.034 20 10 DGCDRN Cc1ccc([C@H](C)[NH2+][C@H](C)c2ncc(C(=O)[O-])s2)c(O)c1 ZINC001610490635 1193392629 /nfs/dbraw/zinc/39/26/29/1193392629.db2.gz IVUSDTSHSROQRM-VHSXEESVSA-N 0 0 306.387 3.267 20 10 DGCDRN Cc1ccc(OCC[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)cc1 ZINC001610510922 1193394676 /nfs/dbraw/zinc/39/46/76/1193394676.db2.gz JUIBBVCDYKBASS-CYBMUJFWSA-N 0 0 315.369 3.128 20 10 DGCDRN O=C([O-])C[C@@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC001610763598 1193407261 /nfs/dbraw/zinc/40/72/61/1193407261.db2.gz ZVMHKYXZQGHAQX-KRWDZBQOSA-N 0 0 311.381 3.498 20 10 DGCDRN O=C(Nc1cc(F)ccc1O)c1cc2cc(O)c(O)cc2s1 ZINC001610905201 1193416518 /nfs/dbraw/zinc/41/65/18/1193416518.db2.gz AHRMTNXTESZTFC-UHFFFAOYSA-N 0 0 319.313 3.410 20 10 DGCDRN CC(C)c1nnc(N(C)Cc2ccccc2O)n1[C@@H]1C[C@@H]1C ZINC001508915370 1186526109 /nfs/dbraw/zinc/52/61/09/1186526109.db2.gz LNHBPDGHXWOMFL-GXTWGEPZSA-N 0 0 300.406 3.324 20 10 DGCDRN CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001611413259 1193432872 /nfs/dbraw/zinc/43/28/72/1193432872.db2.gz VNHDMVPMDYVYII-GJZGRUSLSA-N 0 0 305.418 3.361 20 10 DGCDRN CCOc1cc(NCc2ccc(N(CC)CC)cc2)ncn1 ZINC001611826141 1193442070 /nfs/dbraw/zinc/44/20/70/1193442070.db2.gz IAZRCMOSEVGVQK-UHFFFAOYSA-N 0 0 300.406 3.334 20 10 DGCDRN COCC[C@H]1CCN(C(=O)Cc2ccc(N)cc2)c2ccccc21 ZINC001515788600 1186770690 /nfs/dbraw/zinc/77/06/90/1186770690.db2.gz HSEMEQZTZQNRCY-MRXNPFEDSA-N 0 0 324.424 3.368 20 10 DGCDRN CCCOc1ccnc(N(CCC)Cc2ccccc2O)n1 ZINC001612113943 1193447168 /nfs/dbraw/zinc/44/71/68/1193447168.db2.gz AJGZDQGYOXHGIK-UHFFFAOYSA-N 0 0 301.390 3.388 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC001612500707 1193453036 /nfs/dbraw/zinc/45/30/36/1193453036.db2.gz OWDCPKVEHAAEFS-ZDUSSCGKSA-N 0 0 314.389 3.407 20 10 DGCDRN COC(=O)/C=C/c1ccc(N2C[C@H](C)[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC001612509826 1193453566 /nfs/dbraw/zinc/45/35/66/1193453566.db2.gz NGMRPFLRPUTNNY-UIHJGBRISA-N 0 0 318.373 3.262 20 10 DGCDRN Oc1ccc(Cl)cc1CNc1ncncc1Br ZINC001612580784 1193456447 /nfs/dbraw/zinc/45/64/47/1193456447.db2.gz TZJGECDAHSWYAX-UHFFFAOYSA-N 0 0 314.570 3.210 20 10 DGCDRN COC(=O)/C=C/c1ccc(N(C)C[C@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC001612651459 1193458652 /nfs/dbraw/zinc/45/86/52/1193458652.db2.gz ZKKMOQKLHXSHOR-STMXVASLSA-N 0 0 318.373 3.263 20 10 DGCDRN O=C(NC[C@@H]1C[C@H]1C1CCCC1)N1Cc2cccc(O)c2C1 ZINC001521342136 1187016005 /nfs/dbraw/zinc/01/60/05/1187016005.db2.gz CVEQTRWBHFUNKE-GJZGRUSLSA-N 0 0 300.402 3.244 20 10 DGCDRN O=C(NCc1cccc(O)c1O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC001521851082 1187052402 /nfs/dbraw/zinc/05/24/02/1187052402.db2.gz GAAVVYHBURMZPP-GJZGRUSLSA-N 0 0 315.344 3.047 20 10 DGCDRN COc1cc(NCc2cc(O)ccc2O)c(Cl)cc1[N+](=O)[O-] ZINC001612844121 1193462241 /nfs/dbraw/zinc/46/22/41/1193462241.db2.gz DUKDRLSQAUHNFB-UHFFFAOYSA-N 0 0 324.720 3.280 20 10 DGCDRN Cc1cc2c(c(F)c1)C[C@@H](C(=O)N[C@H](C)c1ccccc1O)N2 ZINC001522341048 1187076819 /nfs/dbraw/zinc/07/68/19/1187076819.db2.gz FHWIRWIFIQFLNM-BZNIZROVSA-N 0 0 314.360 3.054 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)[C@@H]1C[C@H]1c1cccnc1 ZINC001525080637 1187295577 /nfs/dbraw/zinc/29/55/77/1187295577.db2.gz GTZVNKKQBIWZLG-VHSXEESVSA-N 0 0 314.732 3.013 20 10 DGCDRN C/C(=C\C(=O)N(Cc1ccco1)c1ccccn1)c1cnccn1 ZINC001527292301 1187419105 /nfs/dbraw/zinc/41/91/05/1187419105.db2.gz GLLBFEBWOYJRTM-SDNWHVSQSA-N 0 0 320.352 3.101 20 10 DGCDRN CC(C)(C)c1ncc(/C=C\C(=O)N2CCc3cccnc32)s1 ZINC001527463044 1187430826 /nfs/dbraw/zinc/43/08/26/1187430826.db2.gz YYTHLIZEFCVRSE-SREVYHEPSA-N 0 0 313.426 3.438 20 10 DGCDRN CC[C@H](C)n1nccc1C(=O)NCc1ccc(N(C)C)cc1C ZINC001527586077 1187437673 /nfs/dbraw/zinc/43/76/73/1187437673.db2.gz JDISBHOOXPNVCT-AWEZNQCLSA-N 0 0 314.433 3.159 20 10 DGCDRN Cc1cncc(/C=C\C(=O)N2CCOc3c(F)c(F)ccc32)c1 ZINC001529219648 1187542539 /nfs/dbraw/zinc/54/25/39/1187542539.db2.gz YDRJAVZUJHIKLE-DJWKRKHSSA-N 0 0 316.307 3.107 20 10 DGCDRN C[C@@H](NC(=O)c1ccc2cccnc2n1)c1ccc(N(C)C)cc1 ZINC001529478818 1187562292 /nfs/dbraw/zinc/56/22/92/1187562292.db2.gz GEQQKBOXUKSTFP-CYBMUJFWSA-N 0 0 320.396 3.187 20 10 DGCDRN Cc1cc(C)cc(CC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC001530817893 1187647868 /nfs/dbraw/zinc/64/78/68/1187647868.db2.gz JSTQUMCOXYNSDX-UHFFFAOYSA-N 0 0 324.424 3.338 20 10 DGCDRN CCO[C@H](C)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001531612325 1187699014 /nfs/dbraw/zinc/69/90/14/1187699014.db2.gz PQNNCOZTHNMLEJ-MRXNPFEDSA-N 0 0 314.429 3.444 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)COC1CCCC1 ZINC001531695131 1187705809 /nfs/dbraw/zinc/70/58/09/1187705809.db2.gz ZWEWCKNEJDLRBL-UHFFFAOYSA-N 0 0 316.445 3.204 20 10 DGCDRN COc1nscc1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001615219659 1193517896 /nfs/dbraw/zinc/51/78/96/1193517896.db2.gz OURHTQWXSXGAOE-UHFFFAOYSA-N 0 0 317.458 3.382 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C[C@H]2CCC(C)(C)CO2)cc1F ZINC001535620125 1187970662 /nfs/dbraw/zinc/97/06/62/1187970662.db2.gz VZUPOUKARXNOQL-CQSZACIVSA-N 0 0 322.424 3.103 20 10 DGCDRN C=C/C=C/CCN(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC001615936009 1193531348 /nfs/dbraw/zinc/53/13/48/1193531348.db2.gz YLVDFCWAHIUBSS-SNAWJCMRSA-N 0 0 309.793 3.153 20 10 DGCDRN C/C(=C/c1cccnc1)C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC001537380808 1188070207 /nfs/dbraw/zinc/07/02/07/1188070207.db2.gz JOCOWTXKQIXZRT-RAXLEYEMSA-N 0 0 323.352 3.373 20 10 DGCDRN COc1cc(OC)cc(N(C)C(=O)/C=C\c2cccnc2C)c1 ZINC001538633409 1188154309 /nfs/dbraw/zinc/15/43/09/1188154309.db2.gz SCXVTJMNRQKVIZ-FPLPWBNLSA-N 0 0 312.369 3.083 20 10 DGCDRN COc1cc(OC)cc(N(C)C(=O)/C=C/c2cccnc2C)c1 ZINC001538633408 1188154422 /nfs/dbraw/zinc/15/44/22/1188154422.db2.gz SCXVTJMNRQKVIZ-BQYQJAHWSA-N 0 0 312.369 3.083 20 10 DGCDRN COc1cc(NC(=O)C2=CC(=O)CS2)c(OC)cc1Cl ZINC001540422708 1188237567 /nfs/dbraw/zinc/23/75/67/1188237567.db2.gz XRJMKMOPLFMSNH-UHFFFAOYSA-N 0 0 313.762 3.377 20 10 DGCDRN C[C@@H](NC(=O)CCCc1nccs1)c1ccc(N(C)C)cc1 ZINC001616834773 1193549070 /nfs/dbraw/zinc/54/90/70/1193549070.db2.gz MHQBWENQLQXKMF-CYBMUJFWSA-N 0 0 317.458 3.409 20 10 DGCDRN CCc1cc(C(=O)NCc2ccc(N(CC)CC)c(F)c2)no1 ZINC001616923972 1193551754 /nfs/dbraw/zinc/55/17/54/1193551754.db2.gz CMBGRFCATFBYQG-UHFFFAOYSA-N 0 0 319.380 3.152 20 10 DGCDRN CCOC(C)(C)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC001616923822 1193552105 /nfs/dbraw/zinc/55/21/05/1193552105.db2.gz AZOONOUYJVCYNV-UHFFFAOYSA-N 0 0 310.413 3.103 20 10 DGCDRN O=C(Nc1cc(-n2cccc2)ccc1F)c1cccc(O)c1O ZINC001542682523 1188301684 /nfs/dbraw/zinc/30/16/84/1188301684.db2.gz KKNJZSJXUCRVGD-UHFFFAOYSA-N 0 0 312.300 3.280 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCCCC[C@@H]1c1ccco1 ZINC001543968791 1188372488 /nfs/dbraw/zinc/37/24/88/1188372488.db2.gz HPQUKSZMWRNEKO-CQSZACIVSA-N 0 0 315.369 3.377 20 10 DGCDRN C[C@@H]1CN(C(=O)/C=C\c2cccnc2)c2cc(F)c(F)cc2O1 ZINC001617199879 1193561563 /nfs/dbraw/zinc/56/15/63/1193561563.db2.gz LKYZXORJINQMGF-DOGVGXBMSA-N 0 0 316.307 3.187 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H](c3ccco3)C2)cc1 ZINC001617591657 1193574630 /nfs/dbraw/zinc/57/46/30/1193574630.db2.gz AWSZSPRWUFXNIF-GFCCVEGCSA-N 0 0 312.329 3.072 20 10 DGCDRN COc1ccc(N(CCC(C)C)C[C@@H]2C[C@H]3COC[C@H]3O2)cc1 ZINC001617720637 1193578784 /nfs/dbraw/zinc/57/87/84/1193578784.db2.gz WTGXOEJIMXORGU-ZYSHUDEJSA-N 0 0 319.445 3.352 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2ccc(Cl)cc2O)cc1 ZINC001556081717 1188983021 /nfs/dbraw/zinc/98/30/21/1188983021.db2.gz IUFOYMIPCDQJSN-UHFFFAOYSA-N 0 0 318.720 3.460 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1c(O)cccc1Cl ZINC001556784087 1189020005 /nfs/dbraw/zinc/02/00/05/1189020005.db2.gz JYECJAXEUMLODE-ALCCZGGFSA-N 0 0 305.717 3.109 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1cccc(Cl)c1Cl ZINC001557084850 1189040049 /nfs/dbraw/zinc/04/00/49/1189040049.db2.gz QKHWKRMSJGBDNK-UHFFFAOYSA-N 0 0 312.152 3.335 20 10 DGCDRN Cc1cccc(C)c1C(=O)NCc1ccc2cccnc2c1O ZINC001557122270 1189042299 /nfs/dbraw/zinc/04/22/99/1189042299.db2.gz GALGLSLYHBEHFF-UHFFFAOYSA-N 0 0 306.365 3.487 20 10 DGCDRN C[C@H](Oc1ccccc1)C(=O)NCc1cc(Cl)ccc1O ZINC001557386524 1189060742 /nfs/dbraw/zinc/06/07/42/1189060742.db2.gz VUUQSQNAGFHOQW-NSHDSACASA-N 0 0 305.761 3.129 20 10 DGCDRN Cc1cc(N(C)C(=O)c2ccccc2-c2cn[nH]c2)ccc1O ZINC001557897575 1189091283 /nfs/dbraw/zinc/09/12/83/1189091283.db2.gz GBIUFMBSDCXTQV-UHFFFAOYSA-N 0 0 307.353 3.367 20 10 DGCDRN Cc1onc(-c2cccnc2)c1C(=O)N[C@H](C)c1ccccc1O ZINC001557966998 1189094686 /nfs/dbraw/zinc/09/46/86/1189094686.db2.gz SYXNGKZTGUTZAP-LLVKDONJSA-N 0 0 323.352 3.242 20 10 DGCDRN CC[C@@H](C)Oc1cc(C(=O)N[C@H](C)c2ccccc2O)ccn1 ZINC001557967172 1189094709 /nfs/dbraw/zinc/09/47/09/1189094709.db2.gz WGFWMACZYOSLMZ-CHWSQXEVSA-N 0 0 314.385 3.456 20 10 DGCDRN C[C@@H](NC(=O)Cc1ccc(O)c(Cl)c1)c1ccccc1O ZINC001557966987 1189095122 /nfs/dbraw/zinc/09/51/22/1189095122.db2.gz SREZBYGRCKWMEP-SNVBAGLBSA-N 0 0 305.761 3.171 20 10 DGCDRN COCc1ccc(C(=O)N[C@H](C)c2ccccc2O)cc1F ZINC001557967744 1189095631 /nfs/dbraw/zinc/09/56/31/1189095631.db2.gz KBADCNKWDCIKJF-LLVKDONJSA-N 0 0 303.333 3.169 20 10 DGCDRN Cc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)c1ccccc1O ZINC001557967689 1189095931 /nfs/dbraw/zinc/09/59/31/1189095931.db2.gz JGKRKXBCVYSBSY-AWEZNQCLSA-N 0 0 321.380 3.377 20 10 DGCDRN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cc2cnccc2o1 ZINC001558068000 1189102252 /nfs/dbraw/zinc/10/22/52/1189102252.db2.gz JSWSFBSVLKVIRQ-TZNOJPMFSA-N 0 0 324.336 3.130 20 10 DGCDRN C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cc2cnccc2o1 ZINC001558067997 1189102405 /nfs/dbraw/zinc/10/24/05/1189102405.db2.gz JSWSFBSVLKVIRQ-JOAKQRRISA-N 0 0 324.336 3.130 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1c(F)c(F)cc(F)c1F ZINC001558454704 1189126380 /nfs/dbraw/zinc/12/63/80/1189126380.db2.gz KLNUQFQQMQUVII-UHFFFAOYSA-N 0 0 317.213 3.018 20 10 DGCDRN COCc1sccc1C(=O)NCc1cccc(Cl)c1O ZINC001558757456 1189146175 /nfs/dbraw/zinc/14/61/75/1189146175.db2.gz FNZGLVVMNYCUKR-UHFFFAOYSA-N 0 0 311.790 3.184 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2CCc1cccc(F)c1 ZINC001559714189 1189233424 /nfs/dbraw/zinc/23/34/24/1189233424.db2.gz MMLVIGOQAZGUTA-UHFFFAOYSA-N 0 0 300.377 3.333 20 10 DGCDRN O=C1CSc2ccc(NCc3cc(F)cc(F)c3O)cc2N1 ZINC001560279666 1189304278 /nfs/dbraw/zinc/30/42/78/1189304278.db2.gz NUEPUAZXLVHNRM-UHFFFAOYSA-N 0 0 322.336 3.327 20 10 DGCDRN COc1cc(CC[NH2+]Cc2cc(F)cc(F)c2[O-])ccc1C ZINC001560346664 1189315190 /nfs/dbraw/zinc/31/51/90/1189315190.db2.gz HDBAMYANOSVNQD-UHFFFAOYSA-N 0 0 307.340 3.320 20 10 DGCDRN Cc1ccccc1O[C@@H](C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001560354300 1189315710 /nfs/dbraw/zinc/31/57/10/1189315710.db2.gz MAFORINVCDCKQW-ZDUSSCGKSA-N 0 0 316.357 3.166 20 10 DGCDRN CN1CCCC(C)(C)[C@@H]1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001560462307 1189331519 /nfs/dbraw/zinc/33/15/19/1189331519.db2.gz HRTFXFKVAIJSME-AWEZNQCLSA-N 0 0 314.832 3.395 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC001560671115 1189357781 /nfs/dbraw/zinc/35/77/81/1189357781.db2.gz SNIUBYAPODOCQA-BLLLJJGKSA-N 0 0 323.339 3.352 20 10 DGCDRN COc1ccc2c(c1)OCCN(Cc1cc(F)c(F)cc1O)C2 ZINC001560784158 1189382001 /nfs/dbraw/zinc/38/20/01/1189382001.db2.gz JLDJUQIWENDLQV-UHFFFAOYSA-N 0 0 321.323 3.074 20 10 DGCDRN CNC(=O)c1ccc(NCc2c(O)cc(C)cc2Cl)cc1 ZINC001560794461 1189383501 /nfs/dbraw/zinc/38/35/01/1189383501.db2.gz VPBTXDRENDMOSS-UHFFFAOYSA-N 0 0 304.777 3.326 20 10 DGCDRN CN(C)c1cc(F)c(CN2CC[C@@H]3[C@H](C2)C3(F)F)cc1F ZINC001560876930 1189398962 /nfs/dbraw/zinc/39/89/62/1189398962.db2.gz DXYDUYXTTMFBFT-MNOVXSKESA-N 0 0 302.315 3.118 20 10 DGCDRN Cn1cncc1C1CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001561050587 1189426949 /nfs/dbraw/zinc/42/69/49/1189426949.db2.gz AITDFLZRRCXOPU-UHFFFAOYSA-N 0 0 323.799 3.298 20 10 DGCDRN CCOc1ncccc1NC(=O)NCc1cccc(Cl)c1O ZINC001562179028 1189476264 /nfs/dbraw/zinc/47/62/64/1189476264.db2.gz DNKUJHGQJKGLLB-UHFFFAOYSA-N 0 0 321.764 3.161 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)Nc1ccc2c(c1)CCO2 ZINC001562292571 1189479517 /nfs/dbraw/zinc/47/95/17/1189479517.db2.gz IHBUASVOTCUABL-UHFFFAOYSA-N 0 0 318.760 3.302 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCCCc2ccsc2)cc1 ZINC001563610267 1189523014 /nfs/dbraw/zinc/52/30/14/1189523014.db2.gz JEZLQFJUCVONJQ-UHFFFAOYSA-N 0 0 317.458 3.246 20 10 DGCDRN C=C=CCNC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC001565162098 1189627169 /nfs/dbraw/zinc/62/71/69/1189627169.db2.gz LUGIOTNSQLJLIE-UHFFFAOYSA-N 0 0 309.413 3.277 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCc2cccc3ncccc23)c1 ZINC001565307199 1189636316 /nfs/dbraw/zinc/63/63/16/1189636316.db2.gz JWWKFKWXRWHEPN-UHFFFAOYSA-N 0 0 321.380 3.248 20 10 DGCDRN C[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)c1ccccn1 ZINC001566359499 1189764396 /nfs/dbraw/zinc/76/43/96/1189764396.db2.gz FLNOTGDFOPICND-ZDUSSCGKSA-N 0 0 310.397 3.086 20 10 DGCDRN CCOc1cc(Cl)ccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001566364147 1189764648 /nfs/dbraw/zinc/76/46/48/1189764648.db2.gz GBJUODURZZXCKF-UHFFFAOYSA-N 0 0 321.760 3.331 20 10 DGCDRN C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(Cl)s1 ZINC001566880467 1189938183 /nfs/dbraw/zinc/93/81/83/1189938183.db2.gz TZLHJHWHQLBPKD-MRVPVSSYSA-N 0 0 311.790 3.233 20 10 DGCDRN CNc1cc(Cl)ccc1C(=O)NCc1ccc(OC)cc1O ZINC001568098203 1190419421 /nfs/dbraw/zinc/41/94/21/1190419421.db2.gz WJNGKLUOEGEASC-UHFFFAOYSA-N 0 0 320.776 3.026 20 10 DGCDRN O=C(N[C@H]1CCCc2c(F)cccc21)c1cccc(O)c1O ZINC001569845974 1190762663 /nfs/dbraw/zinc/76/26/63/1190762663.db2.gz LWZFMMFLSFXTIZ-AWEZNQCLSA-N 0 0 301.317 3.044 20 10 DGCDRN CC(C)CN(CC(=O)Nc1ccc(N)cc1)C(=O)OC(C)(C)C ZINC001575593678 1191494550 /nfs/dbraw/zinc/49/45/50/1191494550.db2.gz QBFMAHUMWCUTMG-UHFFFAOYSA-N 0 0 321.421 3.100 20 10 DGCDRN CC(C)[C@@H]1C[C@H]1NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC001575831505 1191510363 /nfs/dbraw/zinc/51/03/63/1191510363.db2.gz XASSTLGTZSNRKG-UONOGXRCSA-N 0 0 315.442 3.090 20 10 DGCDRN C[C@@H](CNC(=O)NCc1ccc(N)cc1)c1ccc(F)cc1F ZINC001576024954 1191523897 /nfs/dbraw/zinc/52/38/97/1191523897.db2.gz WKEGYUFSAPFKGI-NSHDSACASA-N 0 0 319.355 3.150 20 10 DGCDRN COc1ccc(N(CC[C@H]2COC(C)(C)O2)CC2CC2)cc1 ZINC001618018347 1193721848 /nfs/dbraw/zinc/72/18/48/1193721848.db2.gz KLAGHKLXMXBHBL-KRWDZBQOSA-N 0 0 305.418 3.453 20 10 DGCDRN C[S@@](=N)(=O)c1ccc(NCc2cc(F)cc(F)c2O)cc1 ZINC001621078222 1193799487 /nfs/dbraw/zinc/79/94/87/1193799487.db2.gz HATUAEGKQDPKAZ-OAQYLSRUSA-N 0 0 312.341 3.318 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC001621344619 1193830965 /nfs/dbraw/zinc/83/09/65/1193830965.db2.gz UWIMLPPVRNHFTO-UHFFFAOYSA-N 0 0 318.245 3.374 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)Nc1ccc2nc(C3CC3)oc2c1 ZINC001621770236 1193869810 /nfs/dbraw/zinc/86/98/10/1193869810.db2.gz LSCMEOXIXKXFTR-UHFFFAOYSA-N 0 0 324.336 3.298 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ccc(Cl)c(F)c1N ZINC001622317658 1193894729 /nfs/dbraw/zinc/89/47/29/1193894729.db2.gz TUAHVEZQDMERGQ-UHFFFAOYSA-N 0 0 308.740 3.039 20 10 DGCDRN Cc1cc(CNC(=O)O[C@@H]2CCOC2)c(C)n1-c1ccccc1 ZINC001622440697 1193901243 /nfs/dbraw/zinc/90/12/43/1193901243.db2.gz FRMOAVDHHZRVAX-QGZVFWFLSA-N 0 0 314.385 3.109 20 10 DGCDRN Cc1nc(CC(C)C)c(NC(=O)Cc2ccc(O)c(O)c2)s1 ZINC001622892043 1193915389 /nfs/dbraw/zinc/91/53/89/1193915389.db2.gz NFIMRPRMAZALAA-UHFFFAOYSA-N 0 0 320.414 3.242 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](CC)CC(F)F ZINC001623573695 1193939702 /nfs/dbraw/zinc/93/97/02/1193939702.db2.gz DTKMNQKGBIWUKG-JTQLQIEISA-N 0 0 306.349 3.176 20 10 DGCDRN Cc1ccc(C(=O)N[C@]2(C)CCCc3ccccc32)c(O)c1O ZINC001623762353 1193963761 /nfs/dbraw/zinc/96/37/61/1193963761.db2.gz MLYDKVZTOJEMRX-LJQANCHMSA-N 0 0 311.381 3.388 20 10 DGCDRN Cc1cc(CNC(=O)c2cnccn2)c(C)n1-c1cccc(C)c1 ZINC001624070474 1193979552 /nfs/dbraw/zinc/97/95/52/1193979552.db2.gz SNNXLLFXNCJNIO-UHFFFAOYSA-N 0 0 320.396 3.123 20 10 DGCDRN Cc1cccc(CN(C)C(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001624286798 1193990866 /nfs/dbraw/zinc/99/08/66/1193990866.db2.gz OMTWHYGHZJDRDW-UHFFFAOYSA-N 0 0 310.357 3.430 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2c(O)cccc2F)cc1 ZINC001625013785 1194027268 /nfs/dbraw/zinc/02/72/68/1194027268.db2.gz DPFVUNLOYQYUEH-UHFFFAOYSA-N 0 0 316.376 3.308 20 10 DGCDRN CCc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)c(O)c1 ZINC001625377223 1194047844 /nfs/dbraw/zinc/04/78/44/1194047844.db2.gz OIHOUMAXGDZSEF-UHFFFAOYSA-N 0 0 324.424 3.485 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(OC)c1C ZINC001627028333 1194107902 /nfs/dbraw/zinc/10/79/02/1194107902.db2.gz FKOVKXVVPXKORG-UHFFFAOYSA-N 0 0 320.385 3.125 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)[C@H]1Cc2ccc(F)cc21 ZINC001627073161 1194110144 /nfs/dbraw/zinc/11/01/44/1194110144.db2.gz KKUAEHZDPDEOGJ-INIZCTEOSA-N 0 0 322.339 3.036 20 10 DGCDRN COc1ccc(/C=C\C(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001628681078 1194192231 /nfs/dbraw/zinc/19/22/31/1194192231.db2.gz UPHYOCIBQOENHX-WTKPLQERSA-N 0 0 317.772 3.384 20 10 DGCDRN Cc1ccccc1[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(C)C ZINC001628808874 1194197590 /nfs/dbraw/zinc/19/75/90/1194197590.db2.gz UIKIPFQHOICLLS-IBGZPJMESA-N 0 0 313.397 3.462 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H]2c2ccncc2)cc1 ZINC001629277109 1194224156 /nfs/dbraw/zinc/22/41/56/1194224156.db2.gz CXGQPVWOCBHMFW-HNNXBMFYSA-N 0 0 323.356 3.221 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccc3nc(C)c(C)nc3c2)c1 ZINC001629737404 1194250180 /nfs/dbraw/zinc/25/01/80/1194250180.db2.gz ZXRJDWFWGLNMRR-UHFFFAOYSA-N 0 0 321.380 3.191 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Cc2cccc3cccnc32)c1 ZINC001629736495 1194250657 /nfs/dbraw/zinc/25/06/57/1194250657.db2.gz IDHNKWDZXKAOQJ-UHFFFAOYSA-N 0 0 306.365 3.108 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@@H](O)C1CCCCCCC1 ZINC001629955007 1194261663 /nfs/dbraw/zinc/26/16/63/1194261663.db2.gz NLKFIZVGWPDQFL-KRWDZBQOSA-N 0 0 305.418 3.072 20 10 DGCDRN C/C(=C/c1ccccc1Cl)C(=O)NCc1ccc(O)cc1O ZINC001630301959 1194279459 /nfs/dbraw/zinc/27/94/59/1194279459.db2.gz OLMDTLWSKXJGSM-FLIBITNWSA-N 0 0 317.772 3.471 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)[C@H]1CCc2c1cccc2Cl ZINC001630302317 1194279681 /nfs/dbraw/zinc/27/96/81/1194279681.db2.gz XOGHEYLNMHWHGN-AWEZNQCLSA-N 0 0 317.772 3.097 20 10 DGCDRN COc1cccc(CNC(=O)c2cccc3cc(O)ccc32)c1O ZINC001630366858 1194283017 /nfs/dbraw/zinc/28/30/17/1194283017.db2.gz YIMOCEUMIAZWJK-UHFFFAOYSA-N 0 0 323.348 3.190 20 10 DGCDRN CCC/C=C/[C@H](O)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001630698223 1194298297 /nfs/dbraw/zinc/29/82/97/1194298297.db2.gz OUWQAFFDEDORRW-MOTZXUDYSA-N 0 0 316.445 3.010 20 10 DGCDRN C[C@H](CC1CCC1)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC001632110628 1194372366 /nfs/dbraw/zinc/37/23/66/1194372366.db2.gz QUMVVTNKVWZLST-OAHLLOKOSA-N 0 0 313.445 3.441 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc(C(C)(C)C)o2)c(O)c1O ZINC001632229334 1194377892 /nfs/dbraw/zinc/37/78/92/1194377892.db2.gz AGRQQPVPUCRRPZ-UHFFFAOYSA-N 0 0 303.358 3.227 20 10 DGCDRN Cc1cncc(/C=C\C(=O)NCc2cc(Cl)ccc2O)c1 ZINC001632229055 1194378160 /nfs/dbraw/zinc/37/81/60/1194378160.db2.gz YCPYWLZWGSOLFN-DJWKRKHSSA-N 0 0 302.761 3.079 20 10 DGCDRN COc1c2ccccc2[nH]c1C(=O)N[C@@H](C)c1ccccc1O ZINC001632250008 1194379047 /nfs/dbraw/zinc/37/90/47/1194379047.db2.gz HLPRPBTXCGFTSP-NSHDSACASA-N 0 0 310.353 3.373 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(N(C)C)cc1F)c1ccccc1O ZINC001632247148 1194379425 /nfs/dbraw/zinc/37/94/25/1194379425.db2.gz SJJFFAPBMBEIKK-LLVKDONJSA-N 0 0 302.349 3.088 20 10 DGCDRN CC(C)(C)Oc1cccc(C(=O)NCc2cc(O)ccc2O)c1 ZINC001633599366 1194444937 /nfs/dbraw/zinc/44/49/37/1194444937.db2.gz YMXBEKYYQBDNDE-UHFFFAOYSA-N 0 0 315.369 3.205 20 10 DGCDRN Cc1ccc2occ(CC(=O)NCc3cc(O)ccc3O)c2c1 ZINC001633599270 1194445036 /nfs/dbraw/zinc/44/50/36/1194445036.db2.gz VRLWQCRATJRNMS-UHFFFAOYSA-N 0 0 311.337 3.011 20 10 DGCDRN O=C(CCCc1cc(F)ccc1F)NCc1cc(O)ccc1O ZINC001633598863 1194445057 /nfs/dbraw/zinc/44/50/57/1194445057.db2.gz FASMRGKGKRGDKD-UHFFFAOYSA-N 0 0 321.323 3.015 20 10 DGCDRN CCCCOc1ccc(NC(=O)c2ccc(C)c(O)c2O)cn1 ZINC001633642833 1194448658 /nfs/dbraw/zinc/44/86/58/1194448658.db2.gz CTIHVDBTVHWAFV-UHFFFAOYSA-N 0 0 316.357 3.232 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](SCC)C(C)C ZINC001634940018 1194524484 /nfs/dbraw/zinc/52/44/84/1194524484.db2.gz WZFDCODFOBAVCS-HNNXBMFYSA-N 0 0 316.463 3.272 20 10 DGCDRN CC(C)[C@H]1c2ccccc2CCN1C(=O)c1cccc(O)c1O ZINC001635496817 1194555210 /nfs/dbraw/zinc/55/52/10/1194555210.db2.gz KMGXWMOXWROCMT-KRWDZBQOSA-N 0 0 311.381 3.493 20 10 DGCDRN C[C@@H](NC(=O)[C@H](O)c1ccc(Cl)cc1F)c1ccccc1O ZINC001635798858 1194572435 /nfs/dbraw/zinc/57/24/35/1194572435.db2.gz FKSIJACMCPCPRU-RFAUZJTJSA-N 0 0 323.751 3.096 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1ccc(O)cc1F ZINC001635965325 1194582136 /nfs/dbraw/zinc/58/21/36/1194582136.db2.gz VWSZXWFFRFCKNN-UHFFFAOYSA-N 0 0 311.312 3.320 20 10 DGCDRN C[C@H]1CC(=O)CC[C@H]1C(=O)NCc1c(O)ccc2ccccc21 ZINC001635965318 1194582280 /nfs/dbraw/zinc/58/22/80/1194582280.db2.gz VNASLQHOCCZDOT-SWLSCSKDSA-N 0 0 311.381 3.167 20 10 DGCDRN CCCn1cc(C(=O)NCc2c(O)ccc3ccccc32)c(C)n1 ZINC001635968939 1194583150 /nfs/dbraw/zinc/58/31/50/1194583150.db2.gz JRMGIGWZWTVYAQ-UHFFFAOYSA-N 0 0 323.396 3.390 20 10 DGCDRN CNc1ccc(Cl)c(C(=O)N2Cc3cccc(O)c3C2)c1 ZINC001636231212 1194601441 /nfs/dbraw/zinc/60/14/41/1194601441.db2.gz WMOAIIGIYHXQKK-UHFFFAOYSA-N 0 0 302.761 3.243 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1ccc(-c2cccs2)o1 ZINC001637046382 1194648007 /nfs/dbraw/zinc/64/80/07/1194648007.db2.gz QGEGZVYVQUXILR-UHFFFAOYSA-N 0 0 315.350 3.349 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001637126001 1194651594 /nfs/dbraw/zinc/65/15/94/1194651594.db2.gz JXODZZYEPXKULR-IAGOWNOFSA-N 0 0 311.381 3.298 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1cccc(C(F)F)c1F ZINC001637129801 1194651777 /nfs/dbraw/zinc/65/17/77/1194651777.db2.gz PIYARPBVWUADDK-UHFFFAOYSA-N 0 0 311.259 3.105 20 10 DGCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C)C(F)F)c2C)cc1 ZINC001637657100 1194680636 /nfs/dbraw/zinc/68/06/36/1194680636.db2.gz NOOSAVLWCQBQNK-NSHDSACASA-N 0 0 322.355 3.486 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N[C@H](c1ccco1)c1ccccc1 ZINC001638230401 1194707823 /nfs/dbraw/zinc/70/78/23/1194707823.db2.gz FOEDCKCXSPMNIE-IBGZPJMESA-N 0 0 323.348 3.139 20 10 DGCDRN CCCCC[C@@H](O)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001638243611 1194708302 /nfs/dbraw/zinc/70/83/02/1194708302.db2.gz JEJONXBOAZEMRK-MAUKXSAKSA-N 0 0 320.477 3.049 20 10 DGCDRN Cc1ccc([C@@H]2C[C@H]2NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC001638820319 1194739459 /nfs/dbraw/zinc/73/94/59/1194739459.db2.gz WPZCGRZIHXPGAW-NJEVBOHQSA-N 0 0 309.365 3.092 20 10 DGCDRN COc1ccc(/C(C)=C/C(=O)NCc2c(O)cccc2F)cc1 ZINC001638862604 1194741559 /nfs/dbraw/zinc/74/15/59/1194741559.db2.gz CRWREFDJXCVMQR-ZRDIBKRKSA-N 0 0 315.344 3.260 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)[C@@H]1C[C@H]1c1ccccc1 ZINC001639624881 1194774326 /nfs/dbraw/zinc/77/43/26/1194774326.db2.gz NSGKEJVZZWFBLK-DLBZAZTESA-N 0 0 318.376 3.360 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCc3ccc(F)cc32)cc1 ZINC001639938375 1194788439 /nfs/dbraw/zinc/78/84/39/1194788439.db2.gz SZYLUSOTMSMVPB-UHFFFAOYSA-N 0 0 312.304 3.191 20 10 DGCDRN Cn1c(C(=O)NCc2cc(Cl)ccc2O)cc2ccccc21 ZINC001639965189 1194789327 /nfs/dbraw/zinc/78/93/27/1194789327.db2.gz GSIKLFSPSODUTE-UHFFFAOYSA-N 0 0 314.772 3.467 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H](c2ccncc2)C2CC2)cc1 ZINC001640204155 1194801009 /nfs/dbraw/zinc/80/10/09/1194801009.db2.gz QGTXICQYGHPYMO-OAHLLOKOSA-N 0 0 323.356 3.125 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cccc3cc(O)ccc32)c1 ZINC001640796992 1194828108 /nfs/dbraw/zinc/82/81/08/1194828108.db2.gz UZXPMFQSEHOPHG-UHFFFAOYSA-N 0 0 307.349 3.489 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1Cc2ccc(F)cc21 ZINC001640919851 1194832967 /nfs/dbraw/zinc/83/29/67/1194832967.db2.gz CIECMNQSZDGXNB-AWEZNQCLSA-N 0 0 305.736 3.141 20 10 DGCDRN Cc1cnn(-c2ccc(C(=O)NCc3cc(C)ccc3O)cc2)c1 ZINC001641729731 1194868766 /nfs/dbraw/zinc/86/87/66/1194868766.db2.gz YAFWHILBOHUTQX-UHFFFAOYSA-N 0 0 321.380 3.125 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CNc2ccccc2Cl)c1 ZINC001641732937 1194868923 /nfs/dbraw/zinc/86/89/23/1194868923.db2.gz HFTAELADPRGWDF-UHFFFAOYSA-N 0 0 304.777 3.082 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1ccns1 ZINC001641971736 1194881886 /nfs/dbraw/zinc/88/18/86/1194881886.db2.gz CWHKWVAJWDZJJW-UHFFFAOYSA-N 0 0 321.365 3.105 20 10 DGCDRN CN(Cc1sncc1Br)Cc1ccccc1O ZINC001642072249 1194886849 /nfs/dbraw/zinc/88/68/49/1194886849.db2.gz WQRQPNKWEDMTJO-UHFFFAOYSA-N 0 0 313.220 3.243 20 10 DGCDRN CN(Cc1ccccc1O)c1ncc(Br)cc1F ZINC001642458633 1194911852 /nfs/dbraw/zinc/91/18/52/1194911852.db2.gz OZACUCUDBGPWBF-UHFFFAOYSA-N 0 0 311.154 3.325 20 10 DGCDRN C[C@@H](NC(=O)c1cc(C(F)(F)F)ccn1)c1ccccc1O ZINC001642827246 1194943385 /nfs/dbraw/zinc/94/33/85/1194943385.db2.gz FEYJKQNUIBGOGN-SECBINFHSA-N 0 0 310.275 3.297 20 10 DGCDRN C[C@H](C(=O)N[C@@H](C)c1ccccc1O)n1cnc2ccccc21 ZINC001642830276 1194944407 /nfs/dbraw/zinc/94/44/07/1194944407.db2.gz CFHZBRUZTLJKRO-QWHCGFSZSA-N 0 0 309.369 3.180 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)c2ccccc2O)ccc1-n1cccn1 ZINC001642831093 1194944539 /nfs/dbraw/zinc/94/45/39/1194944539.db2.gz PGDPPUPFYRJIJX-AWEZNQCLSA-N 0 0 321.380 3.377 20 10 DGCDRN C[C@@H](NC(=O)c1ccc2[nH]cc(C=O)c2c1)c1ccccc1O ZINC001642827814 1194944787 /nfs/dbraw/zinc/94/47/87/1194944787.db2.gz RTRXTHVKHVPKRZ-LLVKDONJSA-N 0 0 308.337 3.177 20 10 DGCDRN C[C@H](NC(=O)c1cncc(Br)c1)c1ccccc1O ZINC001642827926 1194944820 /nfs/dbraw/zinc/94/48/20/1194944820.db2.gz WELZCWPFGVQLPM-VIFPVBQESA-N 0 0 321.174 3.041 20 10 DGCDRN Oc1cccc(O)c1CNc1ncnc2c3ccccc3oc21 ZINC001643226131 1195006710 /nfs/dbraw/zinc/00/67/10/1195006710.db2.gz OGDYGZRBYGXKCQ-UHFFFAOYSA-N 0 0 307.309 3.399 20 10 DGCDRN C[C@@]1(C2CCCCC2)CCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001643357588 1195017336 /nfs/dbraw/zinc/01/73/36/1195017336.db2.gz IDCPAVKKMMPLCG-SFHVURJKSA-N 0 0 303.402 3.212 20 10 DGCDRN Cn1ccc(Nc2ccccc2NC(=O)C2=CC(=O)CS2)n1 ZINC001643539250 1195032369 /nfs/dbraw/zinc/03/23/69/1195032369.db2.gz LLDHGXFWVJAYFW-UHFFFAOYSA-N 0 0 314.370 3.183 20 10 DGCDRN CCOc1ncc(C(=O)N[C@@H](C)c2ccccc2O)cc1Cl ZINC001643741834 1195051184 /nfs/dbraw/zinc/05/11/84/1195051184.db2.gz BPKCDCGIDGUOTL-JTQLQIEISA-N 0 0 320.776 3.330 20 10 DGCDRN O=C(CCc1cc(F)ccc1F)N1Cc2cccc(O)c2C1 ZINC001644088097 1195080383 /nfs/dbraw/zinc/08/03/83/1195080383.db2.gz FHTQECVUDVNYJV-UHFFFAOYSA-N 0 0 303.308 3.145 20 10 DGCDRN CCOC(=O)CN(CC)Cc1ccc(N2CCCCC2)c(C)c1 ZINC001644418788 1195107118 /nfs/dbraw/zinc/10/71/18/1195107118.db2.gz UWPIXHFNEKUMAM-UHFFFAOYSA-N 0 0 318.461 3.370 20 10 DGCDRN C/C(=C/c1ccncc1)C(=O)NCc1cc(Cl)ccc1O ZINC001644590812 1195118881 /nfs/dbraw/zinc/11/88/81/1195118881.db2.gz QBEQXJMQTCASEL-FLIBITNWSA-N 0 0 302.761 3.160 20 10 DGCDRN CCn1cc(Cl)cc1C(=O)NCc1cc(Cl)ccc1O ZINC001644590737 1195119049 /nfs/dbraw/zinc/11/90/49/1195119049.db2.gz MTPXBHQWZJASSN-UHFFFAOYSA-N 0 0 313.184 3.450 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)C1(c2ccc(Cl)cc2)CC1 ZINC001644752434 1195132164 /nfs/dbraw/zinc/13/21/64/1195132164.db2.gz FNDRRFNIYUFWRS-UHFFFAOYSA-N 0 0 317.772 3.099 20 10 DGCDRN CCCc1cc(C(=O)NCc2cc(O)ccc2O)sc1C ZINC001644752718 1195132211 /nfs/dbraw/zinc/13/22/11/1195132211.db2.gz RBCLMEDIBMAVSE-UHFFFAOYSA-N 0 0 305.399 3.350 20 10 DGCDRN O=C(NCC[C@@H]1C[C@H]1C1CC1)c1cc2cc(O)c(O)cc2s1 ZINC001644768438 1195132734 /nfs/dbraw/zinc/13/27/34/1195132734.db2.gz CRWDRGWNFQOJIF-PWSUYJOCSA-N 0 0 317.410 3.479 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cnc2[nH]ccc2c1 ZINC001645440566 1195183389 /nfs/dbraw/zinc/18/33/89/1195183389.db2.gz JPFHBRMLGIXQLT-UHFFFAOYSA-N 0 0 317.348 3.303 20 10 DGCDRN CC(C)(C)Oc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001645652859 1195196355 /nfs/dbraw/zinc/19/63/55/1195196355.db2.gz SOBHPQMDIPCCIQ-UHFFFAOYSA-N 0 0 315.369 3.456 20 10 DGCDRN CNc1ccc(Cl)c(C(=O)NCc2cc(C)ccc2O)c1 ZINC001645804770 1195201916 /nfs/dbraw/zinc/20/19/16/1195201916.db2.gz JOCPTRAMXHPZSU-UHFFFAOYSA-N 0 0 304.777 3.326 20 10 DGCDRN Cc1cc2ccccc2n1CC(=O)NCc1cc(C)ccc1O ZINC001645800532 1195202039 /nfs/dbraw/zinc/20/20/39/1195202039.db2.gz IOCLAVWODBNLKC-UHFFFAOYSA-N 0 0 308.381 3.280 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@@H]1SCCc2ccccc21 ZINC001646035553 1195211498 /nfs/dbraw/zinc/21/14/98/1195211498.db2.gz YOXWRNXSVMBFKK-MRXNPFEDSA-N 0 0 317.385 3.178 20 10 DGCDRN C[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])Oc1ccc(F)cc1 ZINC001647029522 1195240449 /nfs/dbraw/zinc/24/04/49/1195240449.db2.gz FPMHBRJDKFEBMH-SNVBAGLBSA-N 0 0 311.303 3.367 20 10 DGCDRN CCc1cc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)[nH]n1 ZINC001648611627 1195313720 /nfs/dbraw/zinc/31/37/20/1195313720.db2.gz KBRHYRQHMWMHPD-UHFFFAOYSA-N 0 0 322.412 3.310 20 10 DGCDRN CC(C)(C)CC[C@@H](CO)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001651001546 1195402394 /nfs/dbraw/zinc/40/23/94/1195402394.db2.gz PEFDURBQBDVGNR-JTQLQIEISA-N 0 0 303.805 3.462 20 10 DGCDRN COC(=O)c1cnc(Sc2ncnc3c(F)cccc23)s1 ZINC001651096020 1195413242 /nfs/dbraw/zinc/41/32/42/1195413242.db2.gz KCCBWNOFVICJDR-UHFFFAOYSA-N 0 0 321.358 3.163 20 10 DGCDRN Cc1nc(C(C)(C)C)sc1C(=O)NCc1cc(O)ccc1O ZINC001651222722 1195427782 /nfs/dbraw/zinc/42/77/82/1195427782.db2.gz NTMVBORMYLORBQ-UHFFFAOYSA-N 0 0 320.414 3.090 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1c[nH]cc1-c1ccccc1 ZINC001651222307 1195428213 /nfs/dbraw/zinc/42/82/13/1195428213.db2.gz DUEXMWVWXCGXAT-UHFFFAOYSA-N 0 0 308.337 3.023 20 10 DGCDRN C[C@@H](C(=O)NCc1cc(O)ccc1O)c1cc2ccccc2o1 ZINC001651225312 1195428786 /nfs/dbraw/zinc/42/87/86/1195428786.db2.gz FHVMZAZQYDUOGM-LLVKDONJSA-N 0 0 311.337 3.264 20 10 DGCDRN CCn1c2ccccc2nc(NCc2cc(C)ccc2O)c1=O ZINC001651258170 1195433458 /nfs/dbraw/zinc/43/34/58/1195433458.db2.gz BJUUBUDXFJTXMT-UHFFFAOYSA-N 0 0 309.369 3.043 20 10 DGCDRN O=[N+]([O-])c1ccc2nc(N3Cc4cccc(O)c4C3)sc2c1 ZINC001651353492 1195449013 /nfs/dbraw/zinc/44/90/13/1195449013.db2.gz XBWFVGZIDYJZDD-UHFFFAOYSA-N 0 0 313.338 3.430 20 10 DGCDRN Cc1cc(O)c(CNc2ccc(C(N)=O)cc2C)c(Cl)c1 ZINC001651634891 1195488501 /nfs/dbraw/zinc/48/85/01/1195488501.db2.gz YXRYGPQKZWXWHW-UHFFFAOYSA-N 0 0 304.777 3.373 20 10 DGCDRN CC[C@@H]1CN(Cc2cc(F)c(N(C)C)cc2F)CCS1 ZINC001651932020 1195524790 /nfs/dbraw/zinc/52/47/90/1195524790.db2.gz IRTVCOPESYKFRE-GFCCVEGCSA-N 0 0 300.418 3.358 20 10 DGCDRN COC(=O)c1cnc(SCc2ccc(C(C)=O)cc2)s1 ZINC001652001625 1195534579 /nfs/dbraw/zinc/53/45/79/1195534579.db2.gz ADDKOXKCSOEURZ-UHFFFAOYSA-N 0 0 307.396 3.425 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1cc(-c2ccccn2)n[nH]1 ZINC001652150158 1195554407 /nfs/dbraw/zinc/55/44/07/1195554407.db2.gz FPQQLPGWPGOJAM-UHFFFAOYSA-N 0 0 320.396 3.433 20 10 DGCDRN COc1cc(CN2CCCc3n[nH]cc32)c(O)c(C(C)(C)C)c1 ZINC001652318370 1195580661 /nfs/dbraw/zinc/58/06/61/1195580661.db2.gz SLLJDQWQDPHMPO-UHFFFAOYSA-N 0 0 315.417 3.374 20 10 DGCDRN O=C(CCCc1ccc(Cl)cc1)NCc1c(O)cccc1O ZINC001652623219 1195627431 /nfs/dbraw/zinc/62/74/31/1195627431.db2.gz QFYSQYTWAUJPPQ-UHFFFAOYSA-N 0 0 319.788 3.390 20 10 DGCDRN C[C@@H](CC(=O)NCc1c(O)cccc1O)c1cccc(F)c1 ZINC001652626128 1195629118 /nfs/dbraw/zinc/62/91/18/1195629118.db2.gz QGWBWCSIPRXPHP-NSHDSACASA-N 0 0 303.333 3.047 20 10 DGCDRN C[N@H+](Cc1ccc(Cl)cc1O)C[C@@](C)(O)c1ccccc1 ZINC001652703972 1195638851 /nfs/dbraw/zinc/63/88/51/1195638851.db2.gz DAIYSCITAAHRBG-QGZVFWFLSA-N 0 0 305.805 3.385 20 10 DGCDRN COc1cncc(C(=O)NCc2c(O)ccc3ccccc32)c1C ZINC001652709290 1195639480 /nfs/dbraw/zinc/63/94/80/1195639480.db2.gz YMOVLXYZDBKAEL-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN COc1ccc(N(C)C[C@@H](Cc2ccccc2)OC)c(OC)c1 ZINC001652957019 1195675109 /nfs/dbraw/zinc/67/51/09/1195675109.db2.gz DKHPPZWFUFSZFJ-QGZVFWFLSA-N 0 0 315.413 3.398 20 10 DGCDRN COC(=O)c1cc(OC[C@@H]2CCC(F)(F)C2)ccc1N(C)C ZINC001653036887 1195682453 /nfs/dbraw/zinc/68/24/53/1195682453.db2.gz HYPHIHUAFDTVEY-LLVKDONJSA-N 0 0 313.344 3.353 20 10 DGCDRN Cc1cc(CC(=O)N2CC(=O)CC[C@H]2C)c(C)n1-c1ccccc1 ZINC001653103473 1195688430 /nfs/dbraw/zinc/68/84/30/1195688430.db2.gz OEKYAICSIXKXSY-CQSZACIVSA-N 0 0 324.424 3.217 20 10 DGCDRN C[C@H](NS(=O)(=O)C1CCC(C)CC1)c1ccc(N(C)C)cc1 ZINC001655031498 1195867773 /nfs/dbraw/zinc/86/77/73/1195867773.db2.gz OFTPYDYXMIZWSI-UUCFBXCCSA-N 0 0 324.490 3.312 20 10 DGCDRN Cc1cccnc1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000071340013 1195954691 /nfs/dbraw/zinc/95/46/91/1195954691.db2.gz TWQZWZWIGNKCGS-UHFFFAOYSA-N 0 0 307.191 3.148 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+]Cc2ccc(C)nc2)c1 ZINC001656067667 1195993882 /nfs/dbraw/zinc/99/38/82/1195993882.db2.gz TZNGTOTXUIMBOJ-UHFFFAOYSA-N 0 0 321.218 3.456 20 10 DGCDRN CN(C)c1ccc(/C=C\CNc2cccc(N(C)C(N)=O)c2)cc1 ZINC001656181916 1196014538 /nfs/dbraw/zinc/01/45/38/1196014538.db2.gz NCHIEOLBGQIMSD-WAYWQWQTSA-N 0 0 324.428 3.393 20 10 DGCDRN CCCS(=O)(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001656349156 1196032107 /nfs/dbraw/zinc/03/21/07/1196032107.db2.gz NEOCCJMIDKUNRQ-UHFFFAOYSA-N 0 0 320.458 3.232 20 10 DGCDRN C[C@H](COc1ccc(F)cc1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001656417821 1196037760 /nfs/dbraw/zinc/03/77/60/1196037760.db2.gz DEYARPMJTURWIU-SNVBAGLBSA-N 0 0 311.303 3.367 20 10 DGCDRN Cc1nc2ccccn2c1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC001657116552 1196107692 /nfs/dbraw/zinc/10/76/92/1196107692.db2.gz RABZKFFPBMFXFD-UHFFFAOYSA-N 0 0 301.777 3.292 20 10 DGCDRN CCn1ccc(CN2CCCc3cc(OC(F)F)ccc32)n1 ZINC001657686415 1196169061 /nfs/dbraw/zinc/16/90/61/1196169061.db2.gz UKKMJARMDVYMGE-UHFFFAOYSA-N 0 0 307.344 3.457 20 10 DGCDRN CCC1CCC([N@H+](CCO)Cc2ccc(F)c(F)c2[O-])CC1 ZINC001657978596 1196197648 /nfs/dbraw/zinc/19/76/48/1196197648.db2.gz IGUHKUFYJXNZNJ-UHFFFAOYSA-N 0 0 313.388 3.434 20 10 DGCDRN C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001658375266 1196248110 /nfs/dbraw/zinc/24/81/10/1196248110.db2.gz QMGBWOCCHFPSKJ-JSGCOSHPSA-N 0 0 323.408 3.331 20 10 DGCDRN COc1ccccc1C1([NH2+]Cc2cc(F)c(F)cc2[O-])CC1 ZINC001658410132 1196252806 /nfs/dbraw/zinc/25/28/06/1196252806.db2.gz FNEWAYCZUYDHSP-UHFFFAOYSA-N 0 0 305.324 3.458 20 10 DGCDRN COc1c([O-])c(C[NH2+]C[C@@H]2CC3CCC2CC3)ccc1[N+](=O)[O-] ZINC001658414586 1196252861 /nfs/dbraw/zinc/25/28/61/1196252861.db2.gz MVSWJJUMLGSAPZ-YIZWMMSDSA-N 0 0 320.389 3.225 20 10 DGCDRN CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(F)cc(F)c2[O-])C12CCC2 ZINC001658434743 1196256543 /nfs/dbraw/zinc/25/65/43/1196256543.db2.gz OBJFKXKPLGMNOB-GJZGRUSLSA-N 0 0 311.372 3.450 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC001658592306 1196278111 /nfs/dbraw/zinc/27/81/11/1196278111.db2.gz ZVGAOUPXGSUJEG-GUYCJALGSA-N 0 0 312.404 3.306 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC001658599082 1196278369 /nfs/dbraw/zinc/27/83/69/1196278369.db2.gz TZEVWPVYESHNJJ-JCURWCKSSA-N 0 0 305.299 3.237 20 10 DGCDRN COc1ccc(F)cc1CC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001658600122 1196279068 /nfs/dbraw/zinc/27/90/68/1196279068.db2.gz LRAAOFWKMDKPAN-UHFFFAOYSA-N 0 0 311.303 3.150 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@@H](O)C[C@@H]1c1ccccc1 ZINC001658675768 1196287234 /nfs/dbraw/zinc/28/72/34/1196287234.db2.gz OMRUVLHAGQEBEG-RHSMWYFYSA-N 0 0 319.351 3.368 20 10 DGCDRN OC[C@@H](NCc1ccc2c(c1)CCCO2)c1cc(F)ccc1F ZINC001658761605 1196297774 /nfs/dbraw/zinc/29/77/74/1196297774.db2.gz WELOTGYWRXJNCL-QGZVFWFLSA-N 0 0 319.351 3.113 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1nc(Br)c[nH]1 ZINC001658788106 1196300434 /nfs/dbraw/zinc/30/04/34/1196300434.db2.gz KQKZVNCZXFXXLJ-UHFFFAOYSA-N 0 0 322.206 3.134 20 10 DGCDRN Cc1ccc(C[NH2+]Cc2cccc(F)c2[O-])c(N2CCCC2)n1 ZINC001658800033 1196302989 /nfs/dbraw/zinc/30/29/89/1196302989.db2.gz VNJSRKAKQMPLCR-UHFFFAOYSA-N 0 0 315.392 3.125 20 10 DGCDRN CCC[N@H+](Cc1ccc(C(=O)OCC)[nH]1)Cc1ccccc1O ZINC001659090866 1196343139 /nfs/dbraw/zinc/34/31/39/1196343139.db2.gz GIMHAGREOXMKQG-UHFFFAOYSA-N 0 0 316.401 3.309 20 10 DGCDRN CCc1cccc(CNc2ccc(N3C(=O)CCC3=O)cc2)c1O ZINC001659098556 1196344092 /nfs/dbraw/zinc/34/40/92/1196344092.db2.gz SWSZYMTXWWYTSE-UHFFFAOYSA-N 0 0 324.380 3.220 20 10 DGCDRN COc1ccc(O)c(CNc2cc(Cl)c3c(c2)OCCO3)c1 ZINC001659139780 1196350439 /nfs/dbraw/zinc/35/04/39/1196350439.db2.gz QCOXAWUUGCGFAY-UHFFFAOYSA-N 0 0 321.760 3.438 20 10 DGCDRN [O-]c1c(C[NH2+]Cc2ccnc(C(F)(F)F)c2)ccc(F)c1F ZINC001659250576 1196363437 /nfs/dbraw/zinc/36/34/37/1196363437.db2.gz USRRXRWQMUBRKQ-UHFFFAOYSA-N 0 0 318.245 3.374 20 10 DGCDRN COc1cc(C)c(CN2CC(C)(C)[C@@H]2c2nccn2C)c(O)c1 ZINC001659259356 1196364917 /nfs/dbraw/zinc/36/49/17/1196364917.db2.gz RHZFXOUPRIPGDN-INIZCTEOSA-N 0 0 315.417 3.026 20 10 DGCDRN CC[C@H](NCc1ccc(N(C)C)cc1C)C(=O)OC(C)(C)C ZINC001659515596 1196391191 /nfs/dbraw/zinc/39/11/91/1196391191.db2.gz VCODRWQAIVNLLF-INIZCTEOSA-N 0 0 306.450 3.271 20 10 DGCDRN CC[C@@H](C)C[C@H](NCc1cc(Cl)c(C)cc1O)C(=O)OC ZINC001659531605 1196392939 /nfs/dbraw/zinc/39/29/39/1196392939.db2.gz HZGXGZYRUKLVJY-YGRLFVJLSA-N 0 0 313.825 3.421 20 10 DGCDRN CN(c1ccccc1)[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC001659748192 1196411263 /nfs/dbraw/zinc/41/12/63/1196411263.db2.gz HECOFSCFRWQEQB-MRXNPFEDSA-N 0 0 318.367 3.381 20 10 DGCDRN Cc1cc(CN2CCO[C@](C)(C(F)(F)F)C2)ccc1N(C)C ZINC001659853849 1196421812 /nfs/dbraw/zinc/42/18/12/1196421812.db2.gz OYBUSWKLMVNFPA-HNNXBMFYSA-N 0 0 316.367 3.214 20 10 DGCDRN Cc1cc(CN2CCO[C@@](C)(C(F)(F)F)C2)ccc1N(C)C ZINC001659853850 1196421871 /nfs/dbraw/zinc/42/18/71/1196421871.db2.gz OYBUSWKLMVNFPA-OAHLLOKOSA-N 0 0 316.367 3.214 20 10 DGCDRN Cn1cc(CC[NH2+]Cc2cccc(Cl)c2[O-])c2cccnc21 ZINC001659861875 1196422973 /nfs/dbraw/zinc/42/29/73/1196422973.db2.gz DOGFGCBNEVAHQB-UHFFFAOYSA-N 0 0 315.804 3.265 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]Cc1noc2cc(F)ccc12 ZINC001659895050 1196426084 /nfs/dbraw/zinc/42/60/84/1196426084.db2.gz USDLLJZPFXDUFK-UHFFFAOYSA-N 0 0 308.259 3.241 20 10 DGCDRN COc1ccc(F)cc1CC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC001660006705 1196437290 /nfs/dbraw/zinc/43/72/90/1196437290.db2.gz FVDAVQUPEABSEG-UHFFFAOYSA-N 0 0 311.303 3.150 20 10 DGCDRN CCC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccccn1 ZINC001661311220 1196593295 /nfs/dbraw/zinc/59/32/95/1196593295.db2.gz XNQCLCXSJGDIRZ-AWEZNQCLSA-N 0 0 301.346 3.326 20 10 DGCDRN Cc1csc([C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C2CC2)n1 ZINC001661563021 1196620096 /nfs/dbraw/zinc/62/00/96/1196620096.db2.gz VAXAJGXOBKXCFC-AWEZNQCLSA-N 0 0 319.386 3.306 20 10 DGCDRN C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])Cc1cccs1 ZINC001661607941 1196624041 /nfs/dbraw/zinc/62/40/41/1196624041.db2.gz SOIHUAXQRIRRQD-NSHDSACASA-N 0 0 306.387 3.330 20 10 DGCDRN C[C@H](NC(=O)Nc1ccc(OC(F)F)cn1)c1ccccc1O ZINC001662122139 1196683537 /nfs/dbraw/zinc/68/35/37/1196683537.db2.gz OCAHMNSKAAZWIK-VIFPVBQESA-N 0 0 323.299 3.271 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@@H](c1ccccc1)N(C)C ZINC001662266267 1196700989 /nfs/dbraw/zinc/70/09/89/1196700989.db2.gz LNGUTSDURLHIGH-SJCJKPOMSA-N 0 0 320.383 3.451 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@H](c1ccccc1)N(C)C ZINC001662266269 1196701036 /nfs/dbraw/zinc/70/10/36/1196701036.db2.gz LNGUTSDURLHIGH-YVEFUNNKSA-N 0 0 320.383 3.451 20 10 DGCDRN O=c1cc[nH]c2cc(NCc3cc(F)cc(F)c3O)ccc12 ZINC001662413807 1196719212 /nfs/dbraw/zinc/71/92/12/1196719212.db2.gz FFDWSCHBAJGNDH-UHFFFAOYSA-N 0 0 302.280 3.124 20 10 DGCDRN CC(C)NC(=O)c1ccc(NCc2cc(F)cc(F)c2O)cc1 ZINC001662601163 1196732978 /nfs/dbraw/zinc/73/29/78/1196732978.db2.gz SAASSERDCBSLKC-UHFFFAOYSA-N 0 0 320.339 3.421 20 10 DGCDRN CCOc1ccc(NC(=O)N2Cc3cccc(O)c3C2)c(F)c1 ZINC001662791016 1196752756 /nfs/dbraw/zinc/75/27/56/1196752756.db2.gz DBSKUVQGBAZXQD-UHFFFAOYSA-N 0 0 316.332 3.478 20 10 DGCDRN C[C@@H]1CC[C@H]1NC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001662815405 1196754672 /nfs/dbraw/zinc/75/46/72/1196754672.db2.gz RNQTZYOQBZGIRN-CHWSQXEVSA-N 0 0 321.384 3.316 20 10 DGCDRN COc1ccc(N(C)Cc2ccc3oc(=O)oc3c2)cc1F ZINC001664243254 1196983013 /nfs/dbraw/zinc/98/30/13/1196983013.db2.gz GSFFMVFGUHLUJU-UHFFFAOYSA-N 0 0 303.289 3.170 20 10 DGCDRN CN(Cc1cn(C2CC2)cn1)Cc1ccc(N2CCCC2)cc1 ZINC001664627018 1197023791 /nfs/dbraw/zinc/02/37/91/1197023791.db2.gz JXBNKXUSCFQJGJ-UHFFFAOYSA-N 0 0 310.445 3.450 20 10 DGCDRN COC[C@H]([NH2+]Cc1cc(F)c(F)cc1[O-])c1cccc(OC)c1 ZINC001665189929 1197106731 /nfs/dbraw/zinc/10/67/31/1197106731.db2.gz NOTOSTJHORVSBH-INIZCTEOSA-N 0 0 323.339 3.156 20 10 DGCDRN [O-]c1c(F)cccc1C[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC001665340022 1197125541 /nfs/dbraw/zinc/12/55/41/1197125541.db2.gz DLAQKHQNRJUWFE-UHFFFAOYSA-N 0 0 311.259 3.143 20 10 DGCDRN Cc1ccc(/C=C/S(=O)(=O)N2Cc3cccc(O)c3C2)cc1 ZINC001665671730 1197169096 /nfs/dbraw/zinc/16/90/96/1197169096.db2.gz RHKNDGGBQBLANL-MDZDMXLPSA-N 0 0 315.394 3.017 20 10 DGCDRN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001687605764 1197324639 /nfs/dbraw/zinc/32/46/39/1197324639.db2.gz PBJZWQPTDQBQNY-KCMWZYNZSA-N 0 0 315.461 3.186 20 10 DGCDRN C[C@@H](NC(=O)Nc1cccc2c1OCCO2)c1ccccc1O ZINC001668525843 1197417726 /nfs/dbraw/zinc/41/77/26/1197417726.db2.gz MOWZCXGHLDOLGH-LLVKDONJSA-N 0 0 314.341 3.046 20 10 DGCDRN Cc1nccc(NC(=O)N[C@H](C)c2ccccc2O)c1Cl ZINC001668691327 1197425562 /nfs/dbraw/zinc/42/55/62/1197425562.db2.gz ZFWJKXVXVFXDKS-SECBINFHSA-N 0 0 305.765 3.054 20 10 DGCDRN O=C(Nc1cccc(C(F)(F)F)n1)N1Cc2cccc(O)c2C1 ZINC001668710134 1197426122 /nfs/dbraw/zinc/42/61/22/1197426122.db2.gz MXTPSIGUVUAPFM-UHFFFAOYSA-N 0 0 323.274 3.354 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)NCC(C1CC1)C1CC1 ZINC001669772874 1197479484 /nfs/dbraw/zinc/47/94/84/1197479484.db2.gz DQAGEPQAMMLHBL-UHFFFAOYSA-N 0 0 308.809 3.281 20 10 DGCDRN Cc1cc(C)nc(NC(=O)NCc2cc(Cl)ccc2O)c1 ZINC001669971784 1197512433 /nfs/dbraw/zinc/51/24/33/1197512433.db2.gz RHKMWMLRWMNQEU-UHFFFAOYSA-N 0 0 305.765 3.379 20 10 DGCDRN CCC(C)(C)N(C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001670146192 1197522431 /nfs/dbraw/zinc/52/24/31/1197522431.db2.gz BOUMDLULODUQRF-UHFFFAOYSA-N 0 0 321.465 3.304 20 10 DGCDRN C[C@@H](NC(=O)Nc1cccc2c1OCO2)c1ccccc1O ZINC001670177196 1197524571 /nfs/dbraw/zinc/52/45/71/1197524571.db2.gz NFAYSXPSWSUPKC-SNVBAGLBSA-N 0 0 300.314 3.004 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCCc2ccc(F)c(F)c2)c1 ZINC001671713421 1197565542 /nfs/dbraw/zinc/56/55/42/1197565542.db2.gz YUQSEGDIGAMIHD-UHFFFAOYSA-N 0 0 320.339 3.021 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2cncc(C(F)F)c2)c1 ZINC001672568228 1197617860 /nfs/dbraw/zinc/61/78/60/1197617860.db2.gz BMUZRHRCSCKUFR-UHFFFAOYSA-N 0 0 307.300 3.355 20 10 DGCDRN COc1cc(F)c(F)cc1NC(=O)NCc1cc(C)ccc1O ZINC001672593137 1197618154 /nfs/dbraw/zinc/61/81/54/1197618154.db2.gz GGWYLAHGRPEPLC-UHFFFAOYSA-N 0 0 322.311 3.309 20 10 DGCDRN O=C(NCCc1ccc(Cl)cc1)N1Cc2cccc(O)c2C1 ZINC001675891994 1198166647 /nfs/dbraw/zinc/16/66/47/1198166647.db2.gz CMSCERZGHVLZHL-UHFFFAOYSA-N 0 0 316.788 3.314 20 10 DGCDRN O=C(NCc1c(O)cccc1F)N[C@@H]1CCCc2ccccc21 ZINC001676529448 1198342966 /nfs/dbraw/zinc/34/29/66/1198342966.db2.gz IULYDQCDUAOQEL-MRXNPFEDSA-N 0 0 314.360 3.408 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2c(C)cnc3ccccc32)c1 ZINC001678124831 1198637656 /nfs/dbraw/zinc/63/76/56/1198637656.db2.gz TVMUAFHKLUJIAQ-UHFFFAOYSA-N 0 0 321.380 3.301 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2cncc(Cl)c2)cc1 ZINC001679630316 1198811755 /nfs/dbraw/zinc/81/17/55/1198811755.db2.gz ZGGYPGZTAHHALG-UHFFFAOYSA-N 0 0 304.781 3.123 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCc2cccc3cc[nH]c32)c1 ZINC001680139445 1198861673 /nfs/dbraw/zinc/86/16/73/1198861673.db2.gz AQNJKUQKNKQBEU-UHFFFAOYSA-N 0 0 309.369 3.181 20 10 DGCDRN CN(C)c1ccc(F)cc1NC(=O)NCc1c(O)cccc1F ZINC001680355064 1198875201 /nfs/dbraw/zinc/87/52/01/1198875201.db2.gz SEONJFGFBAMVTK-UHFFFAOYSA-N 0 0 321.327 3.058 20 10 DGCDRN O=C(NCc1ccc2c(c1)CCC2)NCc1c(O)cccc1F ZINC001682079350 1199126314 /nfs/dbraw/zinc/12/63/14/1199126314.db2.gz ZCYSFYXDTSCSFQ-UHFFFAOYSA-N 0 0 314.360 3.019 20 10 DGCDRN Cc1cc(CNC(=O)NC2CSC2)c(C)n1-c1ccccc1 ZINC001683307997 1199256648 /nfs/dbraw/zinc/25/66/48/1199256648.db2.gz TWSFJDKECAFRQD-UHFFFAOYSA-N 0 0 315.442 3.009 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC/C=C/Cl)cc1F ZINC001684270203 1199367286 /nfs/dbraw/zinc/36/72/86/1199367286.db2.gz XGDIEBZJJFSWCN-VMPITWQZSA-N 0 0 313.804 3.224 20 10 DGCDRN Cc1ccc2[nH]cc(CCNC(=O)NCc3ccccc3O)c2c1 ZINC001684721996 1199410264 /nfs/dbraw/zinc/41/02/64/1199410264.db2.gz GDILJKUUTZSRMZ-UHFFFAOYSA-N 0 0 323.396 3.224 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@H](CF)c1ccc(F)cc1 ZINC001684844309 1199418515 /nfs/dbraw/zinc/41/85/15/1199418515.db2.gz RLPVQWDYHULVBT-CQSZACIVSA-N 0 0 306.312 3.041 20 10 DGCDRN CC(C)=CCNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001686107532 1199532618 /nfs/dbraw/zinc/53/26/18/1199532618.db2.gz NVJCACWMRHSMOO-UHFFFAOYSA-N 0 0 301.434 3.394 20 10 DGCDRN CCCCN(O)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001686826347 1199593041 /nfs/dbraw/zinc/59/30/41/1199593041.db2.gz GHCVMDZUPLHJMY-AWEZNQCLSA-N 0 0 307.438 3.193 20 10 DGCDRN CCCN(C)c1nnc(C)n1CCCSc1nccs1 ZINC001764227806 1199754201 /nfs/dbraw/zinc/75/42/01/1199754201.db2.gz DYPDCZSDLUYOHH-UHFFFAOYSA-N 0 0 311.480 3.072 20 10 DGCDRN CC[N@H+](Cc1cc(Br)ccc1O)C1CCOCC1 ZINC000132965994 1201184250 /nfs/dbraw/zinc/18/42/50/1201184250.db2.gz ALVIYLXEAZZORQ-UHFFFAOYSA-N 0 0 314.223 3.156 20 10 DGCDRN Cc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1C1CC1 ZINC001742756116 1201275680 /nfs/dbraw/zinc/27/56/80/1201275680.db2.gz PNTXUGCMKKQKOF-UHFFFAOYSA-N 0 0 311.433 3.158 20 10 DGCDRN CCc1nnc(N(C)Cc2ccccc2O)n1CCC1(C)CC1 ZINC001744549501 1201524261 /nfs/dbraw/zinc/52/42/61/1201524261.db2.gz TUEQUXPPKXXSHQ-UHFFFAOYSA-N 0 0 314.433 3.373 20 10 DGCDRN CCc1ccc(S(=O)(=O)Nc2cccc(N(C)C)c2)cc1 ZINC000242831195 1203576619 /nfs/dbraw/zinc/57/66/19/1203576619.db2.gz FQMMKOPQOJEBAH-UHFFFAOYSA-N 0 0 304.415 3.116 20 10 DGCDRN CCN(CC)c1nnc(C)n1Cc1ccc(N(CC)CC)cc1 ZINC001728381298 1204328316 /nfs/dbraw/zinc/32/83/16/1204328316.db2.gz LSEOLDBPUQOVHV-UHFFFAOYSA-N 0 0 315.465 3.327 20 10 DGCDRN Cc1cc(O)c(C[N@@H+]2CCC[C@@H](CCC(=O)[O-])C2)cc1Cl ZINC001594327012 958182455 /nfs/dbraw/zinc/18/24/55/958182455.db2.gz MTBDBOWJQAOJFX-LBPRGKRZSA-N 0 0 311.809 3.431 20 10 DGCDRN C[C@H]([NH2+]CCCCC(=O)[O-])c1cc(Br)ccc1O ZINC001603248547 972413743 /nfs/dbraw/zinc/41/37/43/972413743.db2.gz GVJDHNQCYYMVNX-VIFPVBQESA-N 0 0 316.195 3.060 20 10 DGCDRN Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c(O)c1 ZINC001605273552 973063132 /nfs/dbraw/zinc/06/31/32/973063132.db2.gz MFRDGCXLHNTENP-DLBZAZTESA-N 0 0 311.381 3.001 20 10 DGCDRN COc1cc(C[N@H+]([C@@H](C)C(=O)[O-])C2CC2)c(O)c(C(C)(C)C)c1 ZINC001604703085 973907595 /nfs/dbraw/zinc/90/75/95/973907595.db2.gz VGVGUHPHNGDMTL-NSHDSACASA-N 0 0 321.417 3.136 20 10 DGCDRN CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)C1(C)C ZINC001591695727 975524650 /nfs/dbraw/zinc/52/46/50/975524650.db2.gz JNQOHXGHWZNAHJ-IUIKQTSFSA-N 0 0 321.417 3.333 20 10 DGCDRN CC(C)c1ccc(O)c(C[NH2+]C(C)(C)c2cc(C(=O)[O-])on2)c1 ZINC001591973592 976577447 /nfs/dbraw/zinc/57/74/47/976577447.db2.gz BVGKJHWOXFHNGU-UHFFFAOYSA-N 0 0 318.373 3.227 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccnc2c(C(=O)[O-])cccc12)c1ccccc1O ZINC001599841657 988848796 /nfs/dbraw/zinc/84/87/96/988848796.db2.gz BCGVNTLSFSSBIW-GFCCVEGCSA-N 0 0 322.364 3.489 20 10 DGCDRN CCc1oc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1C(=O)[O-] ZINC001597805355 989414409 /nfs/dbraw/zinc/41/44/09/989414409.db2.gz GTXSWSITZLAMPX-UHFFFAOYSA-N 0 0 320.364 3.035 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1ncc(C(=O)[O-])s1)c1cc(F)ccc1O ZINC001593198721 994174740 /nfs/dbraw/zinc/17/47/40/994174740.db2.gz UVHRBLDPVJEQPU-SFYZADRCSA-N 0 0 310.350 3.098 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCSC(C)(C)C1)c1cc(C(=O)[O-])ccc1O ZINC001593232915 994388242 /nfs/dbraw/zinc/38/82/42/994388242.db2.gz QAWGULMUHHHGGB-CMPLNLGQSA-N 0 0 309.431 3.415 20 10 DGCDRN C[C@@H]([NH2+]CCc1c(F)cccc1F)c1cc(C(=O)[O-])ccc1O ZINC001593272769 994613823 /nfs/dbraw/zinc/61/38/23/994613823.db2.gz BBWHFEDCMPOCFQ-SNVBAGLBSA-N 0 0 321.323 3.262 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C[C@@H]1C ZINC001594422534 999575053 /nfs/dbraw/zinc/57/50/53/999575053.db2.gz GHQQLBGYIZSYKE-NEPJUHHUSA-N 0 0 318.392 3.494 20 10 DGCDRN O=C1CCN(Cc2cc(Cl)c(Cl)cc2O)CC1(F)F ZINC001236798668 1099792660 /nfs/dbraw/zinc/79/26/60/1099792660.db2.gz JSTWMUGZAXYRDM-UHFFFAOYSA-N 0 0 310.127 3.109 20 10 DGCDRN CCc1cc2ncnc(NCc3ccc(O)c(O)c3)c2s1 ZINC001169990475 1081792469 /nfs/dbraw/zinc/79/24/69/1081792469.db2.gz HDDXARUECLAPCC-UHFFFAOYSA-N 0 0 301.371 3.277 20 10 DGCDRN Cc1cnc(NCc2ccc(O)c(O)c2)c(Br)c1 ZINC001169993053 1081797215 /nfs/dbraw/zinc/79/72/15/1081797215.db2.gz MMTQOLWUPHCJHG-UHFFFAOYSA-N 0 0 309.163 3.176 20 10 DGCDRN CC(=O)Nc1cc(C)c(C)cc1NCc1ccc(O)c(O)c1 ZINC001169994975 1081816252 /nfs/dbraw/zinc/81/62/52/1081816252.db2.gz NNGJEUPFOHMYBL-UHFFFAOYSA-N 0 0 300.358 3.285 20 10 DGCDRN CN(C)Cc1c(F)cc(NCc2ccc(O)c(O)c2)cc1F ZINC001169996650 1081819999 /nfs/dbraw/zinc/81/99/99/1081819999.db2.gz FJAOOOSWYHSYLB-UHFFFAOYSA-N 0 0 308.328 3.050 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)c1 ZINC001167293962 1081913194 /nfs/dbraw/zinc/91/31/94/1081913194.db2.gz WLSQCRGIPOYFMI-UHFFFAOYSA-N 0 0 320.732 3.192 20 10 DGCDRN F[C@H](NCc1ccc2c(c1)CCO2)Oc1ccnc(Cl)c1 ZINC001156968530 1081937786 /nfs/dbraw/zinc/93/77/86/1081937786.db2.gz OGAURNRRFQVCRJ-OAHLLOKOSA-N 0 0 308.740 3.092 20 10 DGCDRN C[C@@H](NC(=O)COc1cccc(Cl)c1)c1ccccc1O ZINC001648890101 1081954321 /nfs/dbraw/zinc/95/43/21/1081954321.db2.gz ZOQNHABGRZESGS-LLVKDONJSA-N 0 0 305.761 3.302 20 10 DGCDRN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)c1ccccc1O ZINC001648889632 1081954412 /nfs/dbraw/zinc/95/44/12/1081954412.db2.gz FVKHAEFFMDXKIN-LLVKDONJSA-N 0 0 300.314 3.100 20 10 DGCDRN C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1)c1ccccc1O ZINC001648889789 1081954480 /nfs/dbraw/zinc/95/44/80/1081954480.db2.gz MAERXDAMBRGQOB-CYBMUJFWSA-N 0 0 307.353 3.069 20 10 DGCDRN C[C@H](NC(=O)c1cn(C)nc1-c1ccccc1)c1ccccc1O ZINC001648892230 1081955830 /nfs/dbraw/zinc/95/58/30/1081955830.db2.gz RNDPQBLYOPJBPO-ZDUSSCGKSA-N 0 0 321.380 3.284 20 10 DGCDRN Cc1cccc([C@H](C)CNC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000588407323 1082154906 /nfs/dbraw/zinc/15/49/06/1082154906.db2.gz WNGGNDWYJLGINM-IUCKJTJTSA-N 0 0 311.381 3.339 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC1(c2cccc(F)c2)CC1 ZINC000588407048 1082155046 /nfs/dbraw/zinc/15/50/46/1082155046.db2.gz POXJCSJPXDVVOP-ALCCZGGFSA-N 0 0 313.328 3.056 20 10 DGCDRN Cc1ccnc2cc(NCC(=O)c3ccc(O)c(O)c3)ccc12 ZINC001170323332 1082346156 /nfs/dbraw/zinc/34/61/56/1082346156.db2.gz XGNZEBZGKVRBEW-UHFFFAOYSA-N 0 0 308.337 3.249 20 10 DGCDRN CCS(=O)(=O)c1ccc(CNc2ccccc2NC)cc1 ZINC001170331020 1082347697 /nfs/dbraw/zinc/34/76/97/1082347697.db2.gz NLPMLPDKXPTBCW-UHFFFAOYSA-N 0 0 304.415 3.134 20 10 DGCDRN C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(Cl)cn1 ZINC000588612816 1082847980 /nfs/dbraw/zinc/84/79/80/1082847980.db2.gz DTWBLZAFPVYPAA-NXSJDDFASA-N 0 0 318.760 3.037 20 10 DGCDRN COC(=O)[C@H](CC(F)(F)F)NCc1cc(C(C)C)ccc1O ZINC001180962644 1083378234 /nfs/dbraw/zinc/37/82/34/1083378234.db2.gz OWONHHVFYYYSPT-LBPRGKRZSA-N 0 0 319.323 3.099 20 10 DGCDRN CC(=O)C[C@H](C)C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001181258105 1083445663 /nfs/dbraw/zinc/44/56/63/1083445663.db2.gz SMUMHXMUEDBZMX-AWEZNQCLSA-N 0 0 310.397 3.417 20 10 DGCDRN Cc1cc(Br)cc(CN2CCC[C@H](F)C2)c1O ZINC000689909021 1083455594 /nfs/dbraw/zinc/45/55/94/1083455594.db2.gz ZVQBMHCYEHKUHG-LBPRGKRZSA-N 0 0 302.187 3.397 20 10 DGCDRN Cc1cc(C)c(CNC(=O)Cc2cccc(F)c2C)c(O)c1 ZINC001181710929 1083518855 /nfs/dbraw/zinc/51/88/55/1083518855.db2.gz UKUQKJYEYFPHNI-UHFFFAOYSA-N 0 0 301.361 3.315 20 10 DGCDRN COc1c(F)cc(NCc2cccc(F)c2O)c(OC)c1F ZINC001181845938 1083556917 /nfs/dbraw/zinc/55/69/17/1083556917.db2.gz WXKIFJYWOPRLKV-UHFFFAOYSA-N 0 0 313.275 3.439 20 10 DGCDRN [O-]c1cc(Cl)ccc1C[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC001181845342 1083557664 /nfs/dbraw/zinc/55/76/64/1083557664.db2.gz UBULGKAUIPUIRZ-WBVHZDCISA-N 0 0 318.804 3.451 20 10 DGCDRN COCC(C)(C)C(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001181945584 1083588905 /nfs/dbraw/zinc/58/89/05/1083588905.db2.gz DZMBGTDPOHLPRE-MRXNPFEDSA-N 0 0 319.445 3.421 20 10 DGCDRN O=C(CCc1ccc(O)c(O)c1)Nc1ccc(C(F)F)cn1 ZINC001182154116 1083634646 /nfs/dbraw/zinc/63/46/46/1083634646.db2.gz BGQNAESAVCYKAG-UHFFFAOYSA-N 0 0 308.284 3.002 20 10 DGCDRN C[C@H]1c2ccccc2CCN1C(=O)CCc1ccc(O)c(O)c1 ZINC001182153945 1083634961 /nfs/dbraw/zinc/63/49/61/1083634961.db2.gz QZNDTTHNCPDFGO-ZDUSSCGKSA-N 0 0 311.381 3.176 20 10 DGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)COCC2CC2)cc1 ZINC001182478121 1083733092 /nfs/dbraw/zinc/73/30/92/1083733092.db2.gz NLGATTBFKXSXBJ-UHFFFAOYSA-N 0 0 310.397 3.229 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCc2ccccc2C1 ZINC001126081533 1083795189 /nfs/dbraw/zinc/79/51/89/1083795189.db2.gz DIMMPJDEDPSBMK-SFHVURJKSA-N 0 0 322.452 3.482 20 10 DGCDRN Cc1cc(CN2C[C@@H](C)[C@@H](F)C2)c(O)cc1Br ZINC001250120655 1083993346 /nfs/dbraw/zinc/99/33/46/1083993346.db2.gz LQYXCHPBXZESLM-SKDRFNHKSA-N 0 0 302.187 3.253 20 10 DGCDRN CC[C@@H](C)C(=O)C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001184322506 1084159166 /nfs/dbraw/zinc/15/91/66/1084159166.db2.gz QKBXPPPFNLSMOV-CQSZACIVSA-N 0 0 310.397 3.417 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)c1cc(Cl)n[nH]c1=O ZINC001184711502 1084245305 /nfs/dbraw/zinc/24/53/05/1084245305.db2.gz UHFOSPHLOFFZEY-UHFFFAOYSA-N 0 0 318.808 3.072 20 10 DGCDRN COc1ccc(N(CCc2ccccc2)CC[S@@](C)=O)cc1 ZINC001167880710 1084378206 /nfs/dbraw/zinc/37/82/06/1084378206.db2.gz DSHOMZHHZBTUDU-JOCHJYFZSA-N 0 0 317.454 3.123 20 10 DGCDRN COc1ccc(N(C)CCc2ccc(C(N)=O)cc2)cc1Cl ZINC001167881827 1084384672 /nfs/dbraw/zinc/38/46/72/1084384672.db2.gz SFNSGMYBQJNPEQ-UHFFFAOYSA-N 0 0 318.804 3.126 20 10 DGCDRN Cc1cccc(CNC(=O)Nc2c(F)cc(F)cc2F)c1O ZINC001186082077 1084579734 /nfs/dbraw/zinc/57/97/34/1084579734.db2.gz WGFAATSDIJBRSU-UHFFFAOYSA-N 0 0 310.275 3.440 20 10 DGCDRN Clc1cnc(Sc2nc(Cl)nc3[nH]cnc32)s1 ZINC001187169364 1084769786 /nfs/dbraw/zinc/76/97/86/1084769786.db2.gz YEZVFOZYPPGKEW-UHFFFAOYSA-N 0 0 304.187 3.267 20 10 DGCDRN C/C(=C/c1cccnc1)C(=O)N1C[C@H](C)Oc2c(F)cccc21 ZINC001269475779 1085409762 /nfs/dbraw/zinc/40/97/62/1085409762.db2.gz XHAZAYXQUHQGLU-SUIFULHWSA-N 0 0 312.344 3.438 20 10 DGCDRN Cc1c(F)c(F)cc(NCCc2cc(O)c(O)cc2O)c1F ZINC001168005765 1086147869 /nfs/dbraw/zinc/14/78/69/1086147869.db2.gz NPYNMUBPESSAOO-UHFFFAOYSA-N 0 0 313.275 3.184 20 10 DGCDRN COc1cc(Cl)cc(C)c1NCCc1cc(O)c(O)cc1O ZINC001168008751 1086175846 /nfs/dbraw/zinc/17/58/46/1086175846.db2.gz DLSFZYPMYKZTCB-UHFFFAOYSA-N 0 0 323.776 3.428 20 10 DGCDRN C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(F)c(F)cc1[O-] ZINC001142527444 1087277879 /nfs/dbraw/zinc/27/78/79/1087277879.db2.gz UYQUMAICKBKOTO-UHFFFAOYSA-N 0 0 307.296 3.031 20 10 DGCDRN C[C@H]1CN(Cc2c(O)cccc2Cl)C[C@](C)(C(F)F)O1 ZINC000698928420 1087707744 /nfs/dbraw/zinc/70/77/44/1087707744.db2.gz JSAQKNFERPBGRE-LKFCYVNXSA-N 0 0 305.752 3.290 20 10 DGCDRN C[C@H]1CN(Cc2c(O)cccc2Cl)C[C@@](C)(C(F)F)O1 ZINC000698928422 1087707849 /nfs/dbraw/zinc/70/78/49/1087707849.db2.gz JSAQKNFERPBGRE-XPTSAGLGSA-N 0 0 305.752 3.290 20 10 DGCDRN Oc1ccc(CNC(F)(F)c2cnc(Cl)c(F)c2)cc1O ZINC001158995370 1088126015 /nfs/dbraw/zinc/12/60/15/1088126015.db2.gz FOKALOHAFDFXJP-UHFFFAOYSA-N 0 0 318.682 3.124 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c[nH]c2cnccc12 ZINC001153007270 1088137160 /nfs/dbraw/zinc/13/71/60/1088137160.db2.gz JKFNJJLKRWTEGQ-UHFFFAOYSA-N 0 0 322.412 3.291 20 10 DGCDRN O=Cc1ccc(/C=C/C(=O)NCc2cccc(Cl)c2O)cc1 ZINC001159041288 1088156055 /nfs/dbraw/zinc/15/60/55/1088156055.db2.gz GZGQSNUBHNMOBP-CMDGGOBGSA-N 0 0 315.756 3.188 20 10 DGCDRN Cc1ccc2ccnc(NCC(=O)c3ccc(O)c(O)c3)c2c1 ZINC001159276775 1088264235 /nfs/dbraw/zinc/26/42/35/1088264235.db2.gz LOABVDCWCFDCIW-UHFFFAOYSA-N 0 0 308.337 3.249 20 10 DGCDRN O=C(CNc1nccc2ccc(F)cc21)c1ccc(O)c(O)c1 ZINC001159279066 1088269918 /nfs/dbraw/zinc/26/99/18/1088269918.db2.gz JPXJHEHUEDBCAN-UHFFFAOYSA-N 0 0 312.300 3.080 20 10 DGCDRN Nc1ccc(Nc2ccn3c(Br)cnc3c2)cc1 ZINC001159359424 1088313384 /nfs/dbraw/zinc/31/33/84/1088313384.db2.gz NDKZUBSEWYUKOS-UHFFFAOYSA-N 0 0 303.163 3.423 20 10 DGCDRN CC1(C)C[C@]1(C)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001153666777 1088322527 /nfs/dbraw/zinc/32/25/27/1088322527.db2.gz ORPKFEJSMFUHGM-MRXNPFEDSA-N 0 0 305.399 3.479 20 10 DGCDRN O=C(CSc1ccc(Cl)cc1)NCc1cccc(O)c1O ZINC001153791646 1088362679 /nfs/dbraw/zinc/36/26/79/1088362679.db2.gz FRUTYSPNELTINT-UHFFFAOYSA-N 0 0 323.801 3.160 20 10 DGCDRN Cc1ccc(C(=O)NCc2cccc(O)c2O)c2ccccc12 ZINC001153797545 1088362839 /nfs/dbraw/zinc/36/28/39/1088362839.db2.gz AXEVMISDJQAWRV-UHFFFAOYSA-N 0 0 307.349 3.489 20 10 DGCDRN COc1cnc(NCc2cc(Cl)c3cccnc3c2O)cn1 ZINC001168522662 1088531658 /nfs/dbraw/zinc/53/16/58/1088531658.db2.gz HNYTUZVIETVXRO-UHFFFAOYSA-N 0 0 316.748 3.005 20 10 DGCDRN Cc1cc(C)c(NCc2cc(Br)ccc2O)nn1 ZINC001160012095 1088600137 /nfs/dbraw/zinc/60/01/37/1088600137.db2.gz LOXFBWJFQUPWFO-UHFFFAOYSA-N 0 0 308.179 3.174 20 10 DGCDRN Oc1ccc(Br)cc1CNc1cc2c(nn1)CCC2 ZINC001160019002 1088604894 /nfs/dbraw/zinc/60/48/94/1088604894.db2.gz PWJVSAAXILGBTD-UHFFFAOYSA-N 0 0 320.190 3.046 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001160080512 1088633653 /nfs/dbraw/zinc/63/36/53/1088633653.db2.gz KGQCALRRVOHMPA-KVSKMBFKSA-N 0 0 324.424 3.452 20 10 DGCDRN Cc1cc(CC(=O)NC[C@@H]2CCCC2=O)c(C)n1-c1ccccc1 ZINC001154560711 1088655519 /nfs/dbraw/zinc/65/55/19/1088655519.db2.gz UDEULLYDWCMVPA-INIZCTEOSA-N 0 0 324.424 3.122 20 10 DGCDRN COC(=O)c1ccnc(NCc2cc3ccccc3cc2O)c1 ZINC001160205664 1088697313 /nfs/dbraw/zinc/69/73/13/1088697313.db2.gz FMTDVROVEAMHMU-UHFFFAOYSA-N 0 0 308.337 3.339 20 10 DGCDRN Cn1ccc2c1ncnc2NCc1cc2ccccc2cc1O ZINC001160205657 1088697386 /nfs/dbraw/zinc/69/73/86/1088697386.db2.gz FGGNDYQXSGNPIQ-UHFFFAOYSA-N 0 0 304.353 3.439 20 10 DGCDRN Oc1cc2ccccc2cc1CNc1ccc(-n2ccnc2)nn1 ZINC001160207566 1088697748 /nfs/dbraw/zinc/69/77/48/1088697748.db2.gz UOJFUJLICIHMKX-UHFFFAOYSA-N 0 0 317.352 3.133 20 10 DGCDRN CCN(Cc1ccccc1O)C(F)(F)c1ccnc(Cl)n1 ZINC001154881926 1088806692 /nfs/dbraw/zinc/80/66/92/1088806692.db2.gz OCXILEYMTBVRMH-UHFFFAOYSA-N 0 0 313.735 3.407 20 10 DGCDRN CCN(Cc1ccccc1O)c1nccnc1OCC(C)C ZINC001154890603 1088812571 /nfs/dbraw/zinc/81/25/71/1088812571.db2.gz DSJIOJFGFONBTM-UHFFFAOYSA-N 0 0 301.390 3.244 20 10 DGCDRN CCN(Cc1ccccc1O)c1nc2nc[nH]c2cc1Cl ZINC001154889368 1088812703 /nfs/dbraw/zinc/81/27/03/1088812703.db2.gz XREQDZCRRFTMEY-UHFFFAOYSA-N 0 0 302.765 3.343 20 10 DGCDRN CCN(Cc1ccccc1O)c1cc(-c2ccccn2)ncn1 ZINC001154890588 1088813980 /nfs/dbraw/zinc/81/39/80/1088813980.db2.gz DBUXFUFLRRKPOF-UHFFFAOYSA-N 0 0 306.369 3.271 20 10 DGCDRN CCN(Cc1ccccc1O)c1nc(C)nc(Cl)c1[N+](=O)[O-] ZINC001154889938 1088814247 /nfs/dbraw/zinc/81/42/47/1088814247.db2.gz MHNADLIGIPHCKC-UHFFFAOYSA-N 0 0 322.752 3.079 20 10 DGCDRN Nc1ccc(CC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cc1 ZINC001160709998 1088928061 /nfs/dbraw/zinc/92/80/61/1088928061.db2.gz KENRPQHNHFBWJT-UHFFFAOYSA-N 0 0 323.371 3.017 20 10 DGCDRN CCOC(=O)c1ccc(NCc2cccc(C)c2O)nc1C ZINC001160765261 1088948320 /nfs/dbraw/zinc/94/83/20/1088948320.db2.gz YFCBKXQQDBEZIR-UHFFFAOYSA-N 0 0 300.358 3.193 20 10 DGCDRN Cc1cccc(CNC(F)(F)Oc2cccc(Cl)n2)c1O ZINC001160769345 1088949921 /nfs/dbraw/zinc/94/99/21/1088949921.db2.gz LGRYOPYILPITSM-UHFFFAOYSA-N 0 0 314.719 3.468 20 10 DGCDRN CCOC(=O)c1cnc(NCc2cccc(C)c2O)c(C)c1 ZINC001160769444 1088949934 /nfs/dbraw/zinc/94/99/34/1088949934.db2.gz NWEFVLIKXFWKNO-UHFFFAOYSA-N 0 0 300.358 3.193 20 10 DGCDRN Cc1cccc(CNC(F)(F)Oc2ccc(Cl)nc2)c1O ZINC001160769713 1088950341 /nfs/dbraw/zinc/95/03/41/1088950341.db2.gz QPTDSBHPOMCTSQ-UHFFFAOYSA-N 0 0 314.719 3.468 20 10 DGCDRN CC(C)(CNC(=O)c1c(F)ccc(O)c1O)Cc1ccccc1 ZINC001160788680 1088964444 /nfs/dbraw/zinc/96/44/44/1088964444.db2.gz COVBIKWMRMCYQJ-UHFFFAOYSA-N 0 0 317.360 3.236 20 10 DGCDRN Cc1cc(C)c(CN[C@@H](F)Oc2ccnc(Cl)c2)c(O)c1 ZINC001160808351 1088972713 /nfs/dbraw/zinc/97/27/13/1088972713.db2.gz QFUXWMMOSHDTPK-OAHLLOKOSA-N 0 0 310.756 3.479 20 10 DGCDRN COc1cc(C)nc(NCc2c(C)cc(C)cc2O)c1[N+](=O)[O-] ZINC001160810327 1088974161 /nfs/dbraw/zinc/97/41/61/1088974161.db2.gz PJPIGKDTXCRDLS-UHFFFAOYSA-N 0 0 317.345 3.241 20 10 DGCDRN Cc1cc(C)c(CNc2cc(-c3ccccn3)ncn2)c(O)c1 ZINC001160810967 1088974493 /nfs/dbraw/zinc/97/44/93/1088974493.db2.gz APJIKRNDGSBXLA-UHFFFAOYSA-N 0 0 306.369 3.473 20 10 DGCDRN Cc1noc(-c2ccc(NCc3c(C)cc(C)cc3O)nc2)n1 ZINC001160811436 1088976845 /nfs/dbraw/zinc/97/68/45/1088976845.db2.gz MGMVWGMNOKWSQI-UHFFFAOYSA-N 0 0 310.357 3.375 20 10 DGCDRN Cc1cc(C)c(CNc2cc(N3CCCCC3)ncn2)c(O)c1 ZINC001160811475 1088977007 /nfs/dbraw/zinc/97/70/07/1088977007.db2.gz NWSDQDNIMMGJOK-UHFFFAOYSA-N 0 0 312.417 3.401 20 10 DGCDRN Cc1cc(C)c(CNc2cncc(OCC(C)C)n2)c(O)c1 ZINC001160811215 1088977109 /nfs/dbraw/zinc/97/71/09/1088977109.db2.gz HAVULUJWQCAHTE-UHFFFAOYSA-N 0 0 301.390 3.446 20 10 DGCDRN CNc1ccc(C(=O)NCc2ccc(OC)cc2O)c(Cl)c1 ZINC001155574904 1089171651 /nfs/dbraw/zinc/17/16/51/1089171651.db2.gz QRDUXXMCDXPZTL-UHFFFAOYSA-N 0 0 320.776 3.026 20 10 DGCDRN CC[C@@H]1C[C@H]1NC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC001155863307 1089276808 /nfs/dbraw/zinc/27/68/08/1089276808.db2.gz HNFMRHBMHJURLX-RDTXWAMCSA-N 0 0 310.397 3.435 20 10 DGCDRN Cc1nc2ccccc2c(N2CCCc3cc(O)c(O)cc3C2)n1 ZINC001155932738 1089303948 /nfs/dbraw/zinc/30/39/48/1089303948.db2.gz COWGTSDZMOOHJO-UHFFFAOYSA-N 0 0 321.380 3.302 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC001156206090 1089432359 /nfs/dbraw/zinc/43/23/59/1089432359.db2.gz NETSDZUYDJMCCT-HUUCEWRRSA-N 0 0 308.341 3.135 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2COC[C@H]2C)c(C)n1-c1cccc(C)c1 ZINC001156327073 1089479693 /nfs/dbraw/zinc/47/96/93/1089479693.db2.gz VDUZNLPGZNLUEN-FZKQIMNGSA-N 0 0 312.413 3.167 20 10 DGCDRN CCC[C@@H](C)C(=O)NCCC1=CCN(c2cccc(F)n2)CC1 ZINC001089817079 1089708033 /nfs/dbraw/zinc/70/80/33/1089708033.db2.gz HUHFXLGVYBAEPQ-CQSZACIVSA-N 0 0 319.424 3.300 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1ccc(C(F)(F)F)s1 ZINC001156886059 1089731852 /nfs/dbraw/zinc/73/18/52/1089731852.db2.gz SGVZYBYKLDJESP-UHFFFAOYSA-N 0 0 317.288 3.108 20 10 DGCDRN Cc1nc(Cl)nc(N(C)Cc2ccc(N(C)C)cc2)c1C ZINC001156920923 1089743934 /nfs/dbraw/zinc/74/39/34/1089743934.db2.gz JTNPBBUTQYFHLN-UHFFFAOYSA-N 0 0 304.825 3.449 20 10 DGCDRN CN(C)c1ccc(CN(C)c2ccnc(-c3cccnc3)n2)cc1 ZINC001156920957 1089744118 /nfs/dbraw/zinc/74/41/18/1089744118.db2.gz MVBYGFIZPPIKHK-UHFFFAOYSA-N 0 0 319.412 3.241 20 10 DGCDRN CN(C)c1ccc(CN(C)c2nccc(Cl)c2[N+](=O)[O-])cc1 ZINC001156921531 1089745405 /nfs/dbraw/zinc/74/54/05/1089745405.db2.gz ZKRPFCBBUYPYTJ-UHFFFAOYSA-N 0 0 320.780 3.346 20 10 DGCDRN Cc1cc(C)n(CCC(=O)NCc2c(O)ccc3ccccc32)n1 ZINC001157037727 1089795080 /nfs/dbraw/zinc/79/50/80/1089795080.db2.gz WUEYSHLBWMBDSW-UHFFFAOYSA-N 0 0 323.396 3.065 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc3cccnc3c2O)c(O)c1C ZINC001162607930 1089824000 /nfs/dbraw/zinc/82/40/00/1089824000.db2.gz ZXEWNOGDNZXAJG-UHFFFAOYSA-N 0 0 322.364 3.193 20 10 DGCDRN CN(CC(=O)OC(C)(C)C)Cc1cc(Cl)c(Cl)cc1O ZINC001236788962 1089852538 /nfs/dbraw/zinc/85/25/38/1089852538.db2.gz AEIBRAOUGKILDB-UHFFFAOYSA-N 0 0 320.216 3.473 20 10 DGCDRN CCOC(=O)c1cc(NCc2ccc(N)cc2)ncc1Cl ZINC001162784178 1089953186 /nfs/dbraw/zinc/95/31/86/1089953186.db2.gz GMVWGNYQBHUJPH-UHFFFAOYSA-N 0 0 305.765 3.106 20 10 DGCDRN Nc1ccc(CNc2cncc(OCc3ccccc3)n2)cc1 ZINC001162784450 1089953721 /nfs/dbraw/zinc/95/37/21/1089953721.db2.gz NNQZBCQNXXBMIZ-UHFFFAOYSA-N 0 0 306.369 3.250 20 10 DGCDRN Nc1ccc(CNC(F)(F)c2ccnc(Cl)c2F)cc1 ZINC001162784818 1089954897 /nfs/dbraw/zinc/95/48/97/1089954897.db2.gz XXPRWNQTYVVOFB-UHFFFAOYSA-N 0 0 301.699 3.295 20 10 DGCDRN NC(=S)c1cnc(NCc2ccc(N)cc2)c2sccc21 ZINC001162789554 1089957715 /nfs/dbraw/zinc/95/77/15/1089957715.db2.gz HMPNOPQXKCGVAD-UHFFFAOYSA-N 0 0 314.439 3.125 20 10 DGCDRN CO[C@@H](C)CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001163685221 1090232711 /nfs/dbraw/zinc/23/27/11/1090232711.db2.gz GSSUNXGAGILPDG-LBPRGKRZSA-N 0 0 314.341 3.273 20 10 DGCDRN Cc1cc(O)c(CN(C)CC(F)(F)F)cc1Br ZINC001237677462 1090316256 /nfs/dbraw/zinc/31/62/56/1090316256.db2.gz NIFMIRGMTPSPAT-UHFFFAOYSA-N 0 0 312.129 3.457 20 10 DGCDRN COC(=O)/C=C(/C)CSc1ncc(-c2ccccc2)n1C ZINC001165276395 1090495064 /nfs/dbraw/zinc/49/50/64/1090495064.db2.gz YXBGHZAVBOIJEI-XFXZXTDPSA-N 0 0 302.399 3.299 20 10 DGCDRN O=C(/C=C/c1ccc(O)cc1)NCc1cc(Cl)ccc1O ZINC001165498610 1090525387 /nfs/dbraw/zinc/52/53/87/1090525387.db2.gz PESUNVKCIGPJSD-FPYGCLRLSA-N 0 0 303.745 3.081 20 10 DGCDRN FC(F)(F)Oc1ccccc1-c1noc(-c2csnn2)n1 ZINC001212362389 1090574921 /nfs/dbraw/zinc/57/49/21/1090574921.db2.gz QZLIXFPPYDKEGM-UHFFFAOYSA-N 0 0 314.248 3.154 20 10 DGCDRN Fc1ccc(-c2noc(-c3csnn3)n2)c(C(F)(F)F)c1 ZINC001212361700 1090574996 /nfs/dbraw/zinc/57/49/96/1090574996.db2.gz BLEGLZZZDQZZNK-UHFFFAOYSA-N 0 0 316.239 3.413 20 10 DGCDRN Cc1snnc1-c1nc(-c2cccc(OC3CC3)c2)no1 ZINC001212404962 1090626501 /nfs/dbraw/zinc/62/65/01/1090626501.db2.gz COGXBNMVONAHHZ-UHFFFAOYSA-N 0 0 300.343 3.105 20 10 DGCDRN COc1cccc2c1nc(NCc1cc(F)cc(F)c1O)n2C ZINC001203530186 1090750304 /nfs/dbraw/zinc/75/03/04/1090750304.db2.gz PHMXABWNNALINZ-UHFFFAOYSA-N 0 0 319.311 3.178 20 10 DGCDRN C[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCC[C@@H]1O ZINC001203574223 1090759971 /nfs/dbraw/zinc/75/99/71/1090759971.db2.gz QGFAAGYBDVZTSY-ZANVPECISA-N 0 0 304.217 3.292 20 10 DGCDRN COc1cccc(CN2CC(=O)c3cc(Cl)ccc3C2)c1O ZINC001203601848 1090765778 /nfs/dbraw/zinc/76/57/78/1090765778.db2.gz NOOQOXLRLDTDGF-UHFFFAOYSA-N 0 0 317.772 3.253 20 10 DGCDRN Oc1ccc(Br)cc1CN1CCC(F)(F)[C@@H](F)C1 ZINC001203635771 1090770930 /nfs/dbraw/zinc/77/09/30/1090770930.db2.gz FTKUEVTWFDAVPW-NSHDSACASA-N 0 0 324.140 3.334 20 10 DGCDRN Oc1ccc(Cl)cc1CN1CCc2cc3c(cc2C1)OCO3 ZINC001203650892 1090773697 /nfs/dbraw/zinc/77/36/97/1090773697.db2.gz FWXIWRJTCSTZML-UHFFFAOYSA-N 0 0 317.772 3.333 20 10 DGCDRN CN(Cc1ccc(O)c(O)c1)Cc1ccccc1Br ZINC001203875526 1090825628 /nfs/dbraw/zinc/82/56/28/1090825628.db2.gz OZIOULLEFNXWBT-UHFFFAOYSA-N 0 0 322.202 3.492 20 10 DGCDRN Cc1nc([C@@H]2COCCN2Cc2ccc(N(C)C)cc2)cs1 ZINC001203932199 1090842824 /nfs/dbraw/zinc/84/28/24/1090842824.db2.gz VWLYXYOSNHCGDS-KRWDZBQOSA-N 0 0 317.458 3.091 20 10 DGCDRN CN(C)c1ccc(CN2CC[C@H]2N(C)C(=O)OC(C)(C)C)cc1 ZINC001203936271 1090844786 /nfs/dbraw/zinc/84/47/86/1090844786.db2.gz FYHAIRVNMMHCIG-INIZCTEOSA-N 0 0 319.449 3.151 20 10 DGCDRN Oc1ccc(CN2Cc3ccc(Br)cc3C2)c(O)c1 ZINC001204272804 1090937168 /nfs/dbraw/zinc/93/71/68/1090937168.db2.gz SNQMTUBOTADEKP-UHFFFAOYSA-N 0 0 320.186 3.376 20 10 DGCDRN COc1cc(CN2CCc3cc(Cl)ccc3C2)cc(O)c1O ZINC001204345098 1090952558 /nfs/dbraw/zinc/95/25/58/1090952558.db2.gz HHVSQSLFAVAHGZ-UHFFFAOYSA-N 0 0 319.788 3.318 20 10 DGCDRN COc1cc(CN2CCCC[C@H]2c2cccnc2)cc(O)c1O ZINC001204343669 1090952938 /nfs/dbraw/zinc/95/29/38/1090952938.db2.gz VIOCOVSVBCWSBL-HNNXBMFYSA-N 0 0 314.385 3.229 20 10 DGCDRN OC[C@H]1CCC(F)(F)CN1Cc1ccc(N2CCCCC2)cc1 ZINC001138215622 1091118847 /nfs/dbraw/zinc/11/88/47/1091118847.db2.gz MAMPMCDKKUUILR-QGZVFWFLSA-N 0 0 324.415 3.269 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2noc(-c3n[nH]nc3C)n2)cc1 ZINC001212557224 1091159035 /nfs/dbraw/zinc/15/90/35/1091159035.db2.gz PAORTDRAWPAIIO-UHFFFAOYSA-N 0 0 320.356 3.238 20 10 DGCDRN CCN(CC)c1ccc(CN2CC(F)(C3CC3)C2)c(OC)c1 ZINC001138386215 1091160957 /nfs/dbraw/zinc/16/09/57/1091160957.db2.gz JUSABVIHHVPDBN-UHFFFAOYSA-N 0 0 306.425 3.475 20 10 DGCDRN CCN(CC)c1ccc(CN2C[C@@H](C)OC[C@@H]2C)c(OC)c1 ZINC001138392392 1091164640 /nfs/dbraw/zinc/16/46/40/1091164640.db2.gz VWTMOTWHZHCHQJ-LSDHHAIUSA-N 0 0 306.450 3.151 20 10 DGCDRN CN(C(=O)c1cc2cc(O)c(O)cc2s1)c1nccs1 ZINC001292941076 1091200240 /nfs/dbraw/zinc/20/02/40/1091200240.db2.gz XXTSJUKGDJZTTR-UHFFFAOYSA-N 0 0 306.368 3.046 20 10 DGCDRN COc1cc(Cl)cc(CNc2ccc(NC(C)=O)cn2)c1O ZINC001205391986 1091211165 /nfs/dbraw/zinc/21/11/65/1091211165.db2.gz YICMDNOKUTYZOJ-UHFFFAOYSA-N 0 0 321.764 3.020 20 10 DGCDRN CC(C)c1noc([C@@H]2CCC[N@H+](Cc3c([O-])cccc3F)C2)n1 ZINC001137839141 1091216385 /nfs/dbraw/zinc/21/63/85/1091216385.db2.gz SWTCRUSTKVCCPH-GFCCVEGCSA-N 0 0 319.380 3.417 20 10 DGCDRN [O-]c1cccc(F)c1C[NH+]1CCC2(COc3ccccc32)CC1 ZINC001137839742 1091220102 /nfs/dbraw/zinc/22/01/02/1091220102.db2.gz IIGFCTOMQRGMJZ-UHFFFAOYSA-N 0 0 313.372 3.458 20 10 DGCDRN COc1cc(C)cc(CNc2ccc3ccn(C)c(=O)c3c2)c1O ZINC001205727884 1091324552 /nfs/dbraw/zinc/32/45/52/1091324552.db2.gz FXTZYCOMQCMAOR-UHFFFAOYSA-N 0 0 324.380 3.173 20 10 DGCDRN COC(=O)c1sc(NCc2c(O)cccc2F)nc1Cl ZINC001164185475 1091397904 /nfs/dbraw/zinc/39/79/04/1091397904.db2.gz IESIXYIYOZMPJQ-UHFFFAOYSA-N 0 0 316.741 3.040 20 10 DGCDRN O=C(Nc1ccc(F)nc1)c1cc2cc(O)c(O)cc2s1 ZINC001294631131 1091424423 /nfs/dbraw/zinc/42/44/23/1091424423.db2.gz JEGUQFUDMFDYFC-UHFFFAOYSA-N 0 0 304.302 3.099 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ncc(Cl)cn1 ZINC001139123050 1091457072 /nfs/dbraw/zinc/45/70/72/1091457072.db2.gz CJKXVLWNDPGOTK-UHFFFAOYSA-N 0 0 319.792 3.278 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCC[C@](C)(F)C1 ZINC001139127579 1091459458 /nfs/dbraw/zinc/45/94/58/1091459458.db2.gz YCTWUQAVPOGCBM-KRWDZBQOSA-N 0 0 305.349 3.131 20 10 DGCDRN COc1ccc2c(c1)c(C[N@@H+]1CCc3cccc(O)c3C1)cn2C ZINC001139147326 1091465097 /nfs/dbraw/zinc/46/50/97/1091465097.db2.gz JZRDMBWPLOZLGL-UHFFFAOYSA-N 0 0 322.408 3.451 20 10 DGCDRN Cn1ccc(N(c2ccc(N)cc2)c2ccc(N)cc2)cc1=O ZINC001206122053 1091501195 /nfs/dbraw/zinc/50/11/95/1091501195.db2.gz GMGWRBLGEWBIHJ-UHFFFAOYSA-N 0 0 306.369 3.020 20 10 DGCDRN CCN(C)c1nnc(C2CC2)n1CCCSc1nccs1 ZINC001295108419 1091506582 /nfs/dbraw/zinc/50/65/82/1091506582.db2.gz GRYYXMODSWJJTN-UHFFFAOYSA-N 0 0 323.491 3.251 20 10 DGCDRN CN(C)c1ccc(CN(C)Cc2cn3c(cccc3F)n2)cc1 ZINC001139572549 1091609258 /nfs/dbraw/zinc/60/92/58/1091609258.db2.gz TVSUJRRGEVBWRI-UHFFFAOYSA-N 0 0 312.392 3.171 20 10 DGCDRN CC[C@H](C)C[C@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)OC ZINC001206440446 1091632269 /nfs/dbraw/zinc/63/22/69/1091632269.db2.gz OREUFCKYERVTHE-QOLZPOHTSA-N 0 0 318.461 3.333 20 10 DGCDRN Nc1ccc(OC(=O)c2ccc(Nc3ccc[nH]c3=O)cc2)cc1 ZINC001206471106 1091642996 /nfs/dbraw/zinc/64/29/96/1091642996.db2.gz RFAHBLFWDQXISX-UHFFFAOYSA-N 0 0 321.336 3.332 20 10 DGCDRN COc1cccc2c1CC[N@H+](Cc1c(F)ccc(F)c1[O-])C2 ZINC001139687305 1091643516 /nfs/dbraw/zinc/64/35/16/1091643516.db2.gz LBLBMCDRKLELCM-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN COc1ccc(N(C)C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001206552383 1091667363 /nfs/dbraw/zinc/66/73/63/1091667363.db2.gz JXPMJWUYJLOTKE-OKILXGFUSA-N 0 0 320.433 3.435 20 10 DGCDRN CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC001140059193 1091751875 /nfs/dbraw/zinc/75/18/75/1091751875.db2.gz YDSMLNHXZVOPCY-AWEZNQCLSA-N 0 0 309.381 3.228 20 10 DGCDRN Oc1ccc(F)cc1CN1CC(Oc2ccc(F)c(F)c2)C1 ZINC001140055165 1091751941 /nfs/dbraw/zinc/75/19/41/1091751941.db2.gz MUOQTGCCLXVYFW-UHFFFAOYSA-N 0 0 309.287 3.073 20 10 DGCDRN CC(C)[C@@H]1COCCN1Cc1c(O)cccc1Br ZINC001140101454 1091769532 /nfs/dbraw/zinc/76/95/32/1091769532.db2.gz SQVDCZYNTMUSLA-ZDUSSCGKSA-N 0 0 314.223 3.012 20 10 DGCDRN CCOC(=O)[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)[C@@H]1C ZINC001140341471 1091834743 /nfs/dbraw/zinc/83/47/43/1091834743.db2.gz PTKSYQXWXKGAOV-NEPJUHHUSA-N 0 0 311.809 3.209 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2cccnc2C)C1 ZINC001207155579 1091867188 /nfs/dbraw/zinc/86/71/88/1091867188.db2.gz ZKIAMROSLLESLJ-UHFFFAOYSA-N 0 0 321.424 3.449 20 10 DGCDRN CSc1ncc2c(n1)CN(Cc1ccc(Cl)cc1O)CC2 ZINC001140464478 1091875810 /nfs/dbraw/zinc/87/58/10/1091875810.db2.gz RDQVVFAAYAGTQS-UHFFFAOYSA-N 0 0 321.833 3.116 20 10 DGCDRN O=C1CCC2(CC1)CC[NH+](Cc1c([O-])cc(F)cc1F)CC2 ZINC001140584466 1091919358 /nfs/dbraw/zinc/91/93/58/1091919358.db2.gz SEVWMPLTZUHSOL-UHFFFAOYSA-N 0 0 309.356 3.396 20 10 DGCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001140583105 1091919391 /nfs/dbraw/zinc/91/93/91/1091919391.db2.gz WGRJUOUEHGHSSI-GFCCVEGCSA-N 0 0 313.241 3.394 20 10 DGCDRN COc1ccccc1CC[N@H+](C)Cc1c([O-])cc(F)cc1F ZINC001140583433 1091919480 /nfs/dbraw/zinc/91/94/80/1091919480.db2.gz GQWMJKSFQONQPR-UHFFFAOYSA-N 0 0 307.340 3.354 20 10 DGCDRN [O-]c1cc(F)cc(F)c1C[NH+]1CCC(Oc2ccncc2)CC1 ZINC001140582085 1091920561 /nfs/dbraw/zinc/92/05/61/1091920561.db2.gz CGSPFZWZYYRCBW-UHFFFAOYSA-N 0 0 320.339 3.109 20 10 DGCDRN CCOc1cccc(NC(=O)NCc2cc(Cl)ccc2O)n1 ZINC001207673491 1092064266 /nfs/dbraw/zinc/06/42/66/1092064266.db2.gz HJYSUMHJSMWFLL-UHFFFAOYSA-N 0 0 321.764 3.161 20 10 DGCDRN CCOC(=O)CN(Cc1ccccc1)Cc1ccc(C)cc1O ZINC001140948745 1092074212 /nfs/dbraw/zinc/07/42/12/1092074212.db2.gz YGKKDSBDGBGLRS-UHFFFAOYSA-N 0 0 313.397 3.266 20 10 DGCDRN Cc1ccc(CN2CC[C@@H]2N(C)C(=O)OC(C)(C)C)c(O)c1 ZINC001140957549 1092079371 /nfs/dbraw/zinc/07/93/71/1092079371.db2.gz DEIZBYVTRBOYET-OAHLLOKOSA-N 0 0 306.406 3.099 20 10 DGCDRN COc1cc(O)c(CN2CCC[C@H]2c2nccs2)c(OC)c1 ZINC001141029513 1092111351 /nfs/dbraw/zinc/11/13/51/1092111351.db2.gz VDTMCKISVXYGDN-ZDUSSCGKSA-N 0 0 320.414 3.203 20 10 DGCDRN C[N@H+](Cc1cncs1)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078003 1092129353 /nfs/dbraw/zinc/12/93/53/1092129353.db2.gz IHHKDWUUJUZNDL-UHFFFAOYSA-N 0 0 313.470 3.474 20 10 DGCDRN c1cc2c(cn1)CN(Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141076054 1092129473 /nfs/dbraw/zinc/12/94/73/1092129473.db2.gz KXZWCYABAWRJFM-UHFFFAOYSA-N 0 0 305.425 3.296 20 10 DGCDRN c1cnc2c(c1)CN(Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141074909 1092129975 /nfs/dbraw/zinc/12/99/75/1092129975.db2.gz WNKONVWOSYXBIN-UHFFFAOYSA-N 0 0 305.425 3.296 20 10 DGCDRN CN1CCOc2cc(CN3CCO[C@@H](c4ccccc4)C3)ccc21 ZINC001141142975 1092148551 /nfs/dbraw/zinc/14/85/51/1092148551.db2.gz IOGDZMDPSKQBBQ-HXUWFJFHSA-N 0 0 324.424 3.089 20 10 DGCDRN CCC(O)(CC)C(C)(C)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001203098285 1092151997 /nfs/dbraw/zinc/15/19/97/1092151997.db2.gz UOYDZPBQVKTOQB-UHFFFAOYSA-N 0 0 301.377 3.337 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC001142416880 1092479500 /nfs/dbraw/zinc/47/95/00/1092479500.db2.gz JCYMEWZKTRYIHO-BVPBIZIASA-N 0 0 300.446 3.393 20 10 DGCDRN Oc1cc(F)c(F)cc1CN1CCN(c2ccc(F)cc2)CC1 ZINC001142508863 1092491891 /nfs/dbraw/zinc/49/18/91/1092491891.db2.gz OIOJBBFTMOUEHK-UHFFFAOYSA-N 0 0 322.330 3.132 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH+]1CCC(Oc2cccnc2)CC1 ZINC001142521035 1092493214 /nfs/dbraw/zinc/49/32/14/1092493214.db2.gz VCVNHLVFHGISQT-UHFFFAOYSA-N 0 0 320.339 3.109 20 10 DGCDRN Cc1nc([C@@H]2CCCCN2Cc2cc(F)c(F)cc2O)no1 ZINC001142524853 1092493332 /nfs/dbraw/zinc/49/33/32/1092493332.db2.gz NIZWXNMKWSYJMM-ZDUSSCGKSA-N 0 0 309.316 3.089 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1cc2cc(Cl)ccc2[nH]1 ZINC001142529746 1092493818 /nfs/dbraw/zinc/49/38/18/1092493818.db2.gz DERRLZMKWUWDTB-UHFFFAOYSA-N 0 0 316.744 3.163 20 10 DGCDRN CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1cc(F)c(F)cc1[O-])C2 ZINC001142512584 1092495248 /nfs/dbraw/zinc/49/52/48/1092495248.db2.gz FBMSYSBRYGFQFJ-DYVFJYSZSA-N 0 0 311.372 3.309 20 10 DGCDRN C[C@@]1(C(=O)N2CCCc3cc(O)c(O)cc3C2)CC=CCC1 ZINC001142544359 1092497666 /nfs/dbraw/zinc/49/76/66/1092497666.db2.gz BFIVJCLKCKBWJM-GOSISDBHSA-N 0 0 301.386 3.119 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1cscc1Cl ZINC001208812872 1092522934 /nfs/dbraw/zinc/52/29/34/1092522934.db2.gz BKHASFRUEJOGBH-UHFFFAOYSA-N 0 0 312.778 3.177 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)[C@H](F)Cc1ccccc1 ZINC001142728657 1092539021 /nfs/dbraw/zinc/53/90/21/1092539021.db2.gz ZGKQVNDYDFLAED-MRXNPFEDSA-N 0 0 324.355 3.137 20 10 DGCDRN Cc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)c(O)c1O ZINC001142880391 1092574805 /nfs/dbraw/zinc/57/48/05/1092574805.db2.gz KPVIGMPDZKYDGA-UHFFFAOYSA-N 0 0 318.398 3.384 20 10 DGCDRN CCOC(=O)[C@]12C[C@H]1CCN2Cc1cccc(C(C)(C)C)c1O ZINC001143104000 1092615245 /nfs/dbraw/zinc/61/52/45/1092615245.db2.gz ANTSKPGLACABQY-KUHUBIRLSA-N 0 0 317.429 3.217 20 10 DGCDRN O=C(N[C@H]1CCc2ccc(Cl)cc21)c1cccc(O)c1O ZINC001149971772 1092745429 /nfs/dbraw/zinc/74/54/29/1092745429.db2.gz HWJFIZDUVWSDJM-ZDUSSCGKSA-N 0 0 303.745 3.169 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1cc(C(F)F)ccc1F ZINC001150377422 1092775527 /nfs/dbraw/zinc/77/55/27/1092775527.db2.gz IPYMJZSZZUUFOY-UHFFFAOYSA-N 0 0 311.259 3.105 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2nc3ccccc3nc2C)c(O)c1 ZINC001150868920 1092834216 /nfs/dbraw/zinc/83/42/16/1092834216.db2.gz LNHLLBNVRFUIEW-UHFFFAOYSA-N 0 0 321.380 3.191 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccnc2[nH]ccc21 ZINC001150966989 1092848136 /nfs/dbraw/zinc/84/81/36/1092848136.db2.gz ANGQVIGBLTWIHH-UHFFFAOYSA-N 0 0 322.412 3.243 20 10 DGCDRN Cc1cc(CNC(=O)[C@@H](O)C(C)C)c(C)n1-c1cccc(C)c1 ZINC001151154486 1092870846 /nfs/dbraw/zinc/87/08/46/1092870846.db2.gz WSDOBIDFZHDADK-SFHVURJKSA-N 0 0 314.429 3.036 20 10 DGCDRN COC(=O)c1c(F)cc(Nc2ccc3c(c2)OCCN3)cc1F ZINC001209788636 1092923142 /nfs/dbraw/zinc/92/31/42/1092923142.db2.gz OXKXGJZWBQQUHY-UHFFFAOYSA-N 0 0 320.295 3.299 20 10 DGCDRN COC(=O)c1cc(F)cc(F)c1Nc1ccc2c(c1)OCCN2 ZINC001209788465 1092923614 /nfs/dbraw/zinc/92/36/14/1092923614.db2.gz GEZGBSLGFJMPPF-UHFFFAOYSA-N 0 0 320.295 3.299 20 10 DGCDRN C[C@@H]1Cc2cc(Nc3ccc4c(c3)OCCN4)ccc2N(C)C1=O ZINC001209792878 1092926161 /nfs/dbraw/zinc/92/61/61/1092926161.db2.gz XJYIQKJWVWQTJX-GFCCVEGCSA-N 0 0 323.396 3.390 20 10 DGCDRN Cc1ccc2c(c1Nc1ccn(C)n1)C(=O)c1ccccc1C2=O ZINC001210352227 1093135262 /nfs/dbraw/zinc/13/52/62/1093135262.db2.gz LQNAEECIGNAVNS-UHFFFAOYSA-N 0 0 317.348 3.248 20 10 DGCDRN C[C@H](NS(=O)(=O)CC12CCC(CC1)CC2)c1ccccc1O ZINC001213414868 1093582676 /nfs/dbraw/zinc/58/26/76/1093582676.db2.gz BDNOFIMASKJZLM-CBCUQQMYSA-N 0 0 323.458 3.343 20 10 DGCDRN CS(=O)(=O)N(c1ccc(N)cc1)c1c(F)cccc1C1CC1 ZINC001213452739 1093589255 /nfs/dbraw/zinc/58/92/55/1093589255.db2.gz VGTKAZIXYVDGSK-UHFFFAOYSA-N 0 0 320.389 3.383 20 10 DGCDRN Oc1cccc(-c2nc(-c3ccc(F)c(F)c3F)no2)c1O ZINC001215143897 1093925919 /nfs/dbraw/zinc/92/59/19/1093925919.db2.gz YYSNTZCKIQEHDX-UHFFFAOYSA-N 0 0 308.215 3.232 20 10 DGCDRN Oc1cccc(-c2nc(-c3ccc(C(F)(F)F)cn3)no2)c1O ZINC001215145851 1093927289 /nfs/dbraw/zinc/92/72/89/1093927289.db2.gz MYATUEDNSYPBDD-UHFFFAOYSA-N 0 0 323.230 3.229 20 10 DGCDRN Oc1cccc(-c2nc(-c3ccc(-n4ccnc4)cc3)no2)c1O ZINC001215145662 1093927315 /nfs/dbraw/zinc/92/73/15/1093927315.db2.gz APHDYNXBJCUNQU-UHFFFAOYSA-N 0 0 320.308 3.001 20 10 DGCDRN COc1cc(Cl)cc(-c2noc(-c3ccc(O)c(O)c3)n2)c1 ZINC001215304019 1093955173 /nfs/dbraw/zinc/95/51/73/1093955173.db2.gz BILJSMFISRHVHJ-UHFFFAOYSA-N 0 0 318.716 3.477 20 10 DGCDRN Oc1ccc(-c2nc(-c3ccc(C(F)(F)F)cn3)no2)cc1O ZINC001215304397 1093955823 /nfs/dbraw/zinc/95/58/23/1093955823.db2.gz MMXBVSVOAPNFII-UHFFFAOYSA-N 0 0 323.230 3.229 20 10 DGCDRN Oc1cc(-c2nc(-c3ccc(F)c(Cl)c3)no2)cc(O)c1O ZINC001215327670 1093961634 /nfs/dbraw/zinc/96/16/34/1093961634.db2.gz NMIMRBWEHPTWTD-UHFFFAOYSA-N 0 0 322.679 3.313 20 10 DGCDRN Nc1ccc(N(CCO)c2ccc(N)c(C(F)(F)F)c2)cc1 ZINC001216051388 1094113203 /nfs/dbraw/zinc/11/32/03/1094113203.db2.gz IVPRCAHJGLMGKJ-UHFFFAOYSA-N 0 0 311.307 3.000 20 10 DGCDRN Cc1c(Cl)cccc1N(C)S(=O)(=O)Cc1ccc(N)cc1 ZINC001216323744 1094175327 /nfs/dbraw/zinc/17/53/27/1094175327.db2.gz DAFINPDGZXDCEG-UHFFFAOYSA-N 0 0 324.833 3.197 20 10 DGCDRN COc1cc(-c2nc(-c3cccc(Cl)c3)no2)cc(O)c1O ZINC001216944735 1094282371 /nfs/dbraw/zinc/28/23/71/1094282371.db2.gz UVGOFBZXGLSWKP-UHFFFAOYSA-N 0 0 318.716 3.477 20 10 DGCDRN COc1cc(-c2nc(-c3cc(F)ccc3F)no2)cc(O)c1O ZINC001216944253 1094282895 /nfs/dbraw/zinc/28/28/95/1094282895.db2.gz KFHHAJHFBRGQGT-UHFFFAOYSA-N 0 0 320.251 3.102 20 10 DGCDRN Cc1cc(-c2noc(-c3ccc(O)c(O)c3Cl)n2)cc(C)n1 ZINC001216954046 1094283373 /nfs/dbraw/zinc/28/33/73/1094283373.db2.gz MMHHXPQFJPJVBV-UHFFFAOYSA-N 0 0 317.732 3.480 20 10 DGCDRN CCc1cccnc1-c1noc(-c2ccc(O)c(O)c2Cl)n1 ZINC001216953788 1094283702 /nfs/dbraw/zinc/28/37/02/1094283702.db2.gz KAUXJCXNVKPAMZ-UHFFFAOYSA-N 0 0 317.732 3.426 20 10 DGCDRN C[C@H](Nc1ccc(OC(F)F)nn1)c1ccc(N(C)C)cc1 ZINC001119954458 1094321080 /nfs/dbraw/zinc/32/10/80/1094321080.db2.gz ZKBWNKIEEWWWJU-JTQLQIEISA-N 0 0 308.332 3.317 20 10 DGCDRN c1c2n(nc1C1CC1)CCN(Cc1ccc(N3CCCC3)cc1)C2 ZINC001120047242 1094362819 /nfs/dbraw/zinc/36/28/19/1094362819.db2.gz DXHQPJKWUDDYTR-UHFFFAOYSA-N 0 0 322.456 3.377 20 10 DGCDRN CCS[C@@H]1CC[C@H](N(C)C(=O)NCc2ccc(N)cc2)C1 ZINC001120676853 1094488408 /nfs/dbraw/zinc/48/84/08/1094488408.db2.gz DXQMYLICLMUBKX-LSDHHAIUSA-N 0 0 307.463 3.084 20 10 DGCDRN COc1ccc([C@@H](C)N(C)C(=O)NCc2ccc(N)cc2)cc1 ZINC001336290880 1094618182 /nfs/dbraw/zinc/61/81/82/1094618182.db2.gz VTTRFECJMWETFV-CYBMUJFWSA-N 0 0 313.401 3.180 20 10 DGCDRN O=C1C=CC(=NNc2ccccc2)C(O[C@@H]2CCNC(=O)C2)=C1 ZINC001218210244 1094661467 /nfs/dbraw/zinc/66/14/67/1094661467.db2.gz WVZFYVJWLZWVLN-ATQAJOFPSA-N 0 0 311.341 3.465 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC001135797913 1094683246 /nfs/dbraw/zinc/68/32/46/1094683246.db2.gz WINPHICLVGYMON-QLFBSQMISA-N 0 0 303.402 3.115 20 10 DGCDRN C[C@H](NC(=O)Nc1cc(C(C)(C)C)nn1C)c1ccccc1O ZINC001336756902 1094724893 /nfs/dbraw/zinc/72/48/93/1094724893.db2.gz NADGSCAOVZBSKV-NSHDSACASA-N 0 0 316.405 3.306 20 10 DGCDRN CN(C)c1ccc(/N=N/c2ccccn2)c(O[C@H]2C[C@H](O)C2)c1 ZINC001218363783 1094736234 /nfs/dbraw/zinc/73/62/34/1094736234.db2.gz DFLUTFRUWHUGJI-KCVFMXJHSA-N 0 0 312.373 3.465 20 10 DGCDRN Cc1cccc2c1CCC[C@@H]2NC(=O)NCc1ccc(N)cc1 ZINC001336934488 1094788461 /nfs/dbraw/zinc/78/84/61/1094788461.db2.gz OPSHFFXXBLVGLO-SFHVURJKSA-N 0 0 309.413 3.454 20 10 DGCDRN COc1ccc(N2CCCN(c3cc(F)cc(C)n3)CC2)cc1 ZINC001336986293 1094801903 /nfs/dbraw/zinc/80/19/03/1094801903.db2.gz BYBJMLXIHMOHOK-UHFFFAOYSA-N 0 0 315.392 3.254 20 10 DGCDRN Nc1ccc(Cc2nc(C(=O)NC[C@@H]3C=CCC3)cs2)cc1 ZINC001337007831 1094812810 /nfs/dbraw/zinc/81/28/10/1094812810.db2.gz QWLRGAXAMBOIBV-CYBMUJFWSA-N 0 0 313.426 3.012 20 10 DGCDRN C=COc1ccc(NC(=O)NCc2ccc(OC)cc2O)cc1 ZINC001219080074 1094938243 /nfs/dbraw/zinc/93/82/43/1094938243.db2.gz UTNXQSULGQIBEG-UHFFFAOYSA-N 0 0 314.341 3.245 20 10 DGCDRN CC[C@@H]1CCc2nc(NC(=O)c3cccc(O)c3O)sc2C1 ZINC001136323610 1094988928 /nfs/dbraw/zinc/98/89/28/1094988928.db2.gz HYTWAAPVLWRESS-SECBINFHSA-N 0 0 318.398 3.322 20 10 DGCDRN Cc1cccc([C@@H]2CCCN2C(=O)Cc2ccc(O)c(O)c2)c1 ZINC001136363709 1095004062 /nfs/dbraw/zinc/00/40/62/1095004062.db2.gz GFGDCVSSOJUGBB-INIZCTEOSA-N 0 0 311.381 3.312 20 10 DGCDRN COc1ccc(NC(=O)N[C@@H](C)c2ccccc2O)c(F)c1 ZINC001219797502 1095019924 /nfs/dbraw/zinc/01/99/24/1095019924.db2.gz SXZKBIJMBUJTKE-JTQLQIEISA-N 0 0 304.321 3.423 20 10 DGCDRN CC(C)(Cc1ccc(F)cc1)NC(=O)Cc1ccc(N)cc1 ZINC001219923721 1095033989 /nfs/dbraw/zinc/03/39/89/1095033989.db2.gz YTWFVMIJJSTUFU-UHFFFAOYSA-N 0 0 300.377 3.088 20 10 DGCDRN CC(C)Cn1c(C2SC=CC2=O)nnc1N1CC[C@@H]2C[C@@H]2C1 ZINC001122833559 1095077522 /nfs/dbraw/zinc/07/75/22/1095077522.db2.gz UYLJIMUARXZEDY-VXGBXAGGSA-N 0 0 318.446 3.214 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC2CCC=CCC2)c1 ZINC001337771784 1095089313 /nfs/dbraw/zinc/08/93/13/1095089313.db2.gz YLCPRGRCCKUMLI-LBPRGKRZSA-N 0 0 304.390 3.260 20 10 DGCDRN C[C@H](NC(=O)Nc1nn(C)c2ccccc12)c1ccccc1O ZINC001220388598 1095089982 /nfs/dbraw/zinc/08/99/82/1095089982.db2.gz BIENRRVZKILBOS-NSHDSACASA-N 0 0 310.357 3.162 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)CCCCCO)cc2)CC1 ZINC001136705578 1095128816 /nfs/dbraw/zinc/12/88/16/1095128816.db2.gz SAAVNQDEZCCXJB-UHFFFAOYSA-N 0 0 318.461 3.092 20 10 DGCDRN CCc1cc2c(cc1CC)CC(NC(=O)Cc1ccc(N)cc1)C2 ZINC001220972620 1095181376 /nfs/dbraw/zinc/18/13/76/1095181376.db2.gz IPYFTRIEVXAGHD-UHFFFAOYSA-N 0 0 322.452 3.220 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@]23C[C@H]2CCC3)cc1 ZINC001221229892 1095217145 /nfs/dbraw/zinc/21/71/45/1095217145.db2.gz REQDINSSJBADNY-CRAIPNDOSA-N 0 0 301.434 3.275 20 10 DGCDRN CC[C@@H](CO)NC(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001221381350 1095255668 /nfs/dbraw/zinc/25/56/68/1095255668.db2.gz XSEOJTBEPGJYSF-IVGVGDLQSA-N 0 0 313.357 3.308 20 10 DGCDRN CC(C)(C)[C@@H]1CCN1C(=O)NCCCSc1nccs1 ZINC001123517326 1095329094 /nfs/dbraw/zinc/32/90/94/1095329094.db2.gz LNDZNJCFKFKNKT-NSHDSACASA-N 0 0 313.492 3.455 20 10 DGCDRN CO[C@@H]1CCC[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001338688493 1095362495 /nfs/dbraw/zinc/36/24/95/1095362495.db2.gz ULZYVUPPZVDBHJ-QZTJIDSGSA-N 0 0 316.445 3.059 20 10 DGCDRN C[C@]1(c2ccccc2)CCCN1C(=O)NCc1ccc(N)cc1 ZINC001338793463 1095390566 /nfs/dbraw/zinc/39/05/66/1095390566.db2.gz PUSSHNDVMKXNTB-LJQANCHMSA-N 0 0 309.413 3.490 20 10 DGCDRN CC[C@@H](C)Oc1ccc(C(=O)NCc2cccc(O)c2O)cc1 ZINC001123978205 1095502541 /nfs/dbraw/zinc/50/25/41/1095502541.db2.gz RHDLXNJJJVEDHI-GFCCVEGCSA-N 0 0 315.369 3.205 20 10 DGCDRN CN(Cc1ccc(N2CCN(C)CC2)c(F)c1)c1ccccc1 ZINC001116448594 1095556960 /nfs/dbraw/zinc/55/69/60/1095556960.db2.gz DDJFCSFYPKTHFK-UHFFFAOYSA-N 0 0 313.420 3.214 20 10 DGCDRN CCN1CCN(C(=O)/C=C\c2cnccc2C)c2ccccc21 ZINC001116537862 1095591474 /nfs/dbraw/zinc/59/14/74/1095591474.db2.gz AHRCMULRTFGCPN-HJWRWDBZSA-N 0 0 307.397 3.276 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222421238 1095604979 /nfs/dbraw/zinc/60/49/79/1095604979.db2.gz KXHLZCOINUOOLE-HNNXBMFYSA-N 0 0 315.244 3.417 20 10 DGCDRN C[C@H]1C[C@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001124621107 1095610085 /nfs/dbraw/zinc/61/00/85/1095610085.db2.gz CAZKKVGFEJBIGA-DOTOQJQBSA-N 0 0 316.445 3.060 20 10 DGCDRN Oc1ccc(Br)cc1CNc1nnccc1Cl ZINC001171168265 1095624037 /nfs/dbraw/zinc/62/40/37/1095624037.db2.gz QQMQVBVQAQEZGA-UHFFFAOYSA-N 0 0 314.570 3.210 20 10 DGCDRN COC(=O)[C@@H]1C[C@H](C)CCN1Cc1ccc(N2CCCC2)cc1 ZINC001116655632 1095627733 /nfs/dbraw/zinc/62/77/33/1095627733.db2.gz VBVZRQLDFXKFDE-QAPCUYQASA-N 0 0 316.445 3.060 20 10 DGCDRN Oc1c(CN2CC[C@@]3(CCC[NH2+]3)C2)cccc1-c1ccccc1 ZINC001222476634 1095634683 /nfs/dbraw/zinc/63/46/83/1095634683.db2.gz AWFRWHWRGSDKJT-FQEVSTJZSA-N 0 0 308.425 3.387 20 10 DGCDRN Oc1ccc(Br)cc1CNc1nccc2nc[nH]c21 ZINC001171174154 1095639275 /nfs/dbraw/zinc/63/92/75/1095639275.db2.gz KKAQKISUPKOSHR-UHFFFAOYSA-N 0 0 319.162 3.038 20 10 DGCDRN Oc1ccc(Br)cc1CNc1ccn2ccnc2c1 ZINC001171174885 1095643957 /nfs/dbraw/zinc/64/39/57/1095643957.db2.gz ANVMACJXFMPFDB-UHFFFAOYSA-N 0 0 318.174 3.415 20 10 DGCDRN CCC[C@H]1CCCN(c2nnc(C3SC=CC3=O)n2C)C1 ZINC001339572205 1095661605 /nfs/dbraw/zinc/66/16/05/1095661605.db2.gz HESZIRUDMQLYHZ-NSHDSACASA-N 0 0 306.435 3.266 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC001116811595 1095668348 /nfs/dbraw/zinc/66/83/48/1095668348.db2.gz ITOKZWSWRYEJRH-STQMWFEESA-N 0 0 320.389 3.321 20 10 DGCDRN CCc1ccc(C(=O)NCc2ccc(OC)cc2O)cc1CC ZINC001339688350 1095698534 /nfs/dbraw/zinc/69/85/34/1095698534.db2.gz JEISPBZYKWXJRJ-UHFFFAOYSA-N 0 0 313.397 3.456 20 10 DGCDRN O=C1/C(=C/c2csnn2)SC(=S)N1c1ccc(F)cc1 ZINC000209182429 1095714205 /nfs/dbraw/zinc/71/42/05/1095714205.db2.gz DRJOICUGDUIUDL-YHYXMXQVSA-N 0 0 323.399 3.083 20 10 DGCDRN CCOC(=O)CN(Cc1ccccc1)Cc1c(O)cccc1F ZINC001137831992 1095756524 /nfs/dbraw/zinc/75/65/24/1095756524.db2.gz VWFQRLXLGGSDDV-UHFFFAOYSA-N 0 0 317.360 3.097 20 10 DGCDRN COC(=O)CC[N@H+](Cc1ccccc1)Cc1c([O-])cccc1F ZINC001137837367 1095757241 /nfs/dbraw/zinc/75/72/41/1095757241.db2.gz DFYJMKFDYFVBMR-UHFFFAOYSA-N 0 0 317.360 3.097 20 10 DGCDRN C[C@@](O)(C1CC[NH+](Cc2c([O-])cccc2F)CC1)C(F)(F)F ZINC001137840410 1095758444 /nfs/dbraw/zinc/75/84/44/1095758444.db2.gz ZMWLNTDCIDZMCO-CQSZACIVSA-N 0 0 321.314 3.057 20 10 DGCDRN Cc1ccc(NC(=O)NCc2cccc(O)c2O)cc1Cl ZINC001202812250 1095776042 /nfs/dbraw/zinc/77/60/42/1095776042.db2.gz BEFKYHUOXSOUCU-UHFFFAOYSA-N 0 0 306.749 3.381 20 10 DGCDRN C[C@H]1CN(C(=O)c2cccc3c2CCN3)c2ccc(F)cc2O1 ZINC001340100486 1095862277 /nfs/dbraw/zinc/86/22/77/1095862277.db2.gz TUGRTJJWIRLIRJ-NSHDSACASA-N 0 0 312.344 3.221 20 10 DGCDRN Cc1c(C(=O)NCc2c(O)cccc2F)cnn1C1CCCC1 ZINC001340178955 1095896975 /nfs/dbraw/zinc/89/69/75/1095896975.db2.gz LJPOBIINPPVGJI-UHFFFAOYSA-N 0 0 317.364 3.081 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[C@@]12CCOC2 ZINC001118061570 1095929211 /nfs/dbraw/zinc/92/92/11/1095929211.db2.gz IWNIHZPHNFZCQJ-FQEVSTJZSA-N 0 0 324.424 3.408 20 10 DGCDRN Cc1cccc(CNc2nc(Cl)nc3ncsc32)c1O ZINC001160769076 1095937773 /nfs/dbraw/zinc/93/77/73/1095937773.db2.gz JNEQGSNUURABMT-UHFFFAOYSA-N 0 0 306.778 3.366 20 10 DGCDRN COc1ccccc1C1(NC(=O)Cc2ccc(N)cc2)CCC1 ZINC001118267589 1095970290 /nfs/dbraw/zinc/97/02/90/1095970290.db2.gz KRCJHNOFKCUYCA-UHFFFAOYSA-N 0 0 310.397 3.016 20 10 DGCDRN CON(Cc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC001340782508 1096031600 /nfs/dbraw/zinc/03/16/00/1096031600.db2.gz JTSFRKLAUDOJKU-UHFFFAOYSA-N 0 0 312.413 3.087 20 10 DGCDRN CN(C(=O)C[C@H]1CCC[C@H](C(F)(F)F)O1)c1ccc(N)cc1 ZINC001340846870 1096050319 /nfs/dbraw/zinc/05/03/19/1096050319.db2.gz GYYVDBFMPFBDHF-CHWSQXEVSA-N 0 0 316.323 3.122 20 10 DGCDRN COc1ccc2c(c1)CC[C@H]2C(=O)NCc1ccc(N(C)C)cc1 ZINC001118804193 1096080994 /nfs/dbraw/zinc/08/09/94/1096080994.db2.gz BDUBZJGGFBPQFG-LJQANCHMSA-N 0 0 324.424 3.107 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H](C)c2ccccc2O)c(F)c1 ZINC001223890507 1096088458 /nfs/dbraw/zinc/08/84/58/1096088458.db2.gz QUVDDJAIPHPCTI-NSHDSACASA-N 0 0 318.348 3.100 20 10 DGCDRN Nc1ccc(CC(=O)Nc2nc3ccccc3n2CC2CC2)cc1 ZINC001341003827 1096092482 /nfs/dbraw/zinc/09/24/82/1096092482.db2.gz DBAANVLLRJSFQO-UHFFFAOYSA-N 0 0 320.396 3.210 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@H]2Cc2ccccc2)cc1 ZINC001147114086 1096166305 /nfs/dbraw/zinc/16/63/05/1096166305.db2.gz VYNNEUJAHYSWCP-ZBFHGGJFSA-N 0 0 322.368 3.210 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CNc2ccccc21 ZINC001341399701 1096169215 /nfs/dbraw/zinc/16/92/15/1096169215.db2.gz UPFDYSGQCAVZPS-INIZCTEOSA-N 0 0 310.397 3.340 20 10 DGCDRN Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@H](CCO)C(F)(F)F ZINC001119375996 1096180962 /nfs/dbraw/zinc/18/09/62/1096180962.db2.gz KOKDQJGUHRCBOM-CKYFFXLPSA-N 0 0 303.324 3.152 20 10 DGCDRN C[C@H](NC(=O)N1Cc2cccc(O)c2C1)c1cccc(F)c1F ZINC001224489716 1096222852 /nfs/dbraw/zinc/22/28/52/1096222852.db2.gz LIIXAWBFRDOURO-JTQLQIEISA-N 0 0 318.323 3.457 20 10 DGCDRN C[S@@](=O)(=NC(=O)/C=C\c1ccc(O)c(O)c1)C1CCCCC1 ZINC001119632015 1096238163 /nfs/dbraw/zinc/23/81/63/1096238163.db2.gz KLEWCCRWZIDQBB-ZVXDMYHRSA-N 0 0 323.414 3.068 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc[nH]c1=S ZINC001147678176 1096254741 /nfs/dbraw/zinc/25/47/41/1096254741.db2.gz WUWMYCFHTJYLBF-UHFFFAOYSA-N 0 0 315.442 3.099 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1=C(C)NC(C)S1 ZINC001147738124 1096264798 /nfs/dbraw/zinc/26/47/98/1096264798.db2.gz VNRFKGUEWUQVJW-UHFFFAOYSA-N 0 0 318.466 3.178 20 10 DGCDRN CC[C@@H](C)Oc1cc(C(=O)NCc2cc(C)ccc2O)ccn1 ZINC001147956256 1096296538 /nfs/dbraw/zinc/29/65/38/1096296538.db2.gz BFLCOKNMQLXADO-CYBMUJFWSA-N 0 0 314.385 3.203 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)COc2ccc(Cl)cc2C)c1 ZINC001147957877 1096297746 /nfs/dbraw/zinc/29/77/46/1096297746.db2.gz ZSQCCNAPZLJCPD-UHFFFAOYSA-N 0 0 319.788 3.358 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CSCc2ccc(F)cc2)c1 ZINC001147956983 1096297848 /nfs/dbraw/zinc/29/78/48/1096297848.db2.gz KZZXLJWTGOBADT-UHFFFAOYSA-N 0 0 319.401 3.389 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CC(Cc2c(F)cccc2F)C1 ZINC001148467498 1096372459 /nfs/dbraw/zinc/37/24/59/1096372459.db2.gz PDWMZBOWOFUPLA-UHFFFAOYSA-N 0 0 309.337 3.047 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC(C2CCCC2)CC1 ZINC001148541283 1096393787 /nfs/dbraw/zinc/39/37/87/1096393787.db2.gz MAOQWKNNOLFHCN-UHFFFAOYSA-N 0 0 303.402 3.069 20 10 DGCDRN CC[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)c1ccc(C)cc1C ZINC001148591077 1096408950 /nfs/dbraw/zinc/40/89/50/1096408950.db2.gz SWHFCMBWOWFUCN-CQSZACIVSA-N 0 0 315.369 3.301 20 10 DGCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@@H]1COC(C)(C)O1 ZINC001171353547 1096527021 /nfs/dbraw/zinc/52/70/21/1096527021.db2.gz NDRUHDWWEYYMEC-NVXWUHKLSA-N 0 0 319.445 3.481 20 10 DGCDRN O=C1c2cccc(O)c2C(=O)c2c(O[C@@H]3C[C@H]4C[C@H]4C3)cccc21 ZINC001226380625 1096675275 /nfs/dbraw/zinc/67/52/75/1096675275.db2.gz ZANZXRTYOPIKMI-ZSBIGDGJSA-N 0 0 320.344 3.345 20 10 DGCDRN CCCCC[C@@H](CCC)Oc1c(O)c(O)c(O)c(O)c1O ZINC001226469219 1096697098 /nfs/dbraw/zinc/69/70/98/1096697098.db2.gz SKZRAIMZHISBPT-SECBINFHSA-N 0 0 300.351 3.342 20 10 DGCDRN O=C1OC[C@@H](COC2=CC(=O)C=CC2=NNc2ccccn2)O1 ZINC001227490348 1096940312 /nfs/dbraw/zinc/94/03/12/1096940312.db2.gz VPKOHGKCCQHJNI-IEBXDZTQSA-N 0 0 315.285 3.117 20 10 DGCDRN C[C@@H](NC(=O)Cc1ccc2cnccc2c1)c1ccccc1O ZINC001171723671 1096954868 /nfs/dbraw/zinc/95/48/68/1096954868.db2.gz WUYCBSCNFJVXPI-CYBMUJFWSA-N 0 0 306.365 3.360 20 10 DGCDRN CCO[C@H](C)COc1c(O)c(O)ccc1C(=O)c1ccccc1 ZINC001227940811 1097017561 /nfs/dbraw/zinc/01/75/61/1097017561.db2.gz OQEKSNIHRJZZOP-GFCCVEGCSA-N 0 0 316.353 3.133 20 10 DGCDRN [O-]c1c(C[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)cc(Cl)c2cccnc12 ZINC001172229694 1097081852 /nfs/dbraw/zinc/08/18/52/1097081852.db2.gz BKBQKAGZSQWYPY-YHWZYXNKSA-N 0 0 316.788 3.169 20 10 DGCDRN COc1cc(F)cc(-c2noc(-c3nnsc3C3CC3)n2)c1 ZINC001212679585 1097226940 /nfs/dbraw/zinc/22/69/40/1097226940.db2.gz KIIURVFQLGBYEZ-UHFFFAOYSA-N 0 0 318.333 3.280 20 10 DGCDRN COc1cc(C)ccc1-c1noc(-c2nnsc2C2CC2)n1 ZINC001212679799 1097228826 /nfs/dbraw/zinc/22/88/26/1097228826.db2.gz VJQCIMSQWCDLHC-UHFFFAOYSA-N 0 0 314.370 3.450 20 10 DGCDRN Fc1cccc(-c2noc(-c3nnsc3C3CC3)n2)c1F ZINC001212679824 1097229023 /nfs/dbraw/zinc/22/90/23/1097229023.db2.gz WRBYIHBDTUWGQN-UHFFFAOYSA-N 0 0 306.297 3.411 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCCC1CC1 ZINC001230194376 1097456402 /nfs/dbraw/zinc/45/64/02/1097456402.db2.gz AIJVKGIGBHKTQL-HNNXBMFYSA-N 0 0 317.477 3.481 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CC1(C)C ZINC001230196308 1097457110 /nfs/dbraw/zinc/45/71/10/1097457110.db2.gz YEQFDMUYDBAFIP-BBRMVZONSA-N 0 0 303.450 3.090 20 10 DGCDRN O=C1C=CC(=NNc2ccc([N+](=O)[O-])cc2)C(OC2COC2)=C1 ZINC001230208526 1097458126 /nfs/dbraw/zinc/45/81/26/1097458126.db2.gz PANWPVITKFEEBP-WUKNDPDISA-N 0 0 315.285 3.493 20 10 DGCDRN NC(=O)Cc1cccc(C(=O)c2ccccc2)c1Nc1ccoc1 ZINC001173936781 1097557609 /nfs/dbraw/zinc/55/76/09/1097557609.db2.gz NNRXJXHTUUHMIG-UHFFFAOYSA-N 0 0 320.348 3.282 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)N[C@H](C)CC(C)C)cc1 ZINC001230707605 1097561194 /nfs/dbraw/zinc/56/11/94/1097561194.db2.gz ZFEVLZRQUIKTIC-OAHLLOKOSA-N 0 0 321.465 3.207 20 10 DGCDRN CC(C)(CNC(=O)NCc1c(O)cccc1F)c1ccccc1 ZINC001230768194 1097578389 /nfs/dbraw/zinc/57/83/89/1097578389.db2.gz QCHNXSZTKVAQKU-UHFFFAOYSA-N 0 0 316.376 3.308 20 10 DGCDRN Cc1nn(C)c(C)c1-n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001174225466 1097649710 /nfs/dbraw/zinc/64/97/10/1097649710.db2.gz HMZQYHDVFWARHX-OYVOPSJISA-N 0 0 321.388 3.305 20 10 DGCDRN CC(C)S(=O)(=O)c1ccc(N(C)c2ccc(N)cc2)cc1 ZINC001174271375 1097665389 /nfs/dbraw/zinc/66/53/89/1097665389.db2.gz PXGOVULVOKDZBV-UHFFFAOYSA-N 0 0 304.415 3.219 20 10 DGCDRN C[N@H+](Cc1ccc(C(=O)[O-])cc1O)C12CC3CC(CC(C3)C1)C2 ZINC001231452744 1097751640 /nfs/dbraw/zinc/75/16/40/1097751640.db2.gz UGJAPDMQRQJLNT-UHFFFAOYSA-N 0 0 315.413 3.491 20 10 DGCDRN O=C([O-])c1ccc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c(O)c1 ZINC001231453059 1097753060 /nfs/dbraw/zinc/75/30/60/1097753060.db2.gz DUYGDUPOXLLFJD-CQSZACIVSA-N 0 0 315.344 3.219 20 10 DGCDRN O=C([O-])c1ccc(O)c(CN2Cc3ccc(Cl)cc3C2)c1 ZINC001231566165 1097780683 /nfs/dbraw/zinc/78/06/83/1097780683.db2.gz SHESUBWSWGINDI-UHFFFAOYSA-N 0 0 303.745 3.260 20 10 DGCDRN COc1cc(CN(C)[C@@H](C2CCC2)C(F)(F)F)c(O)cc1O ZINC001231638227 1097798842 /nfs/dbraw/zinc/79/88/42/1097798842.db2.gz WQWGMXRCPXMFFP-AWEZNQCLSA-N 0 0 319.323 3.269 20 10 DGCDRN Cc1cc(C)c(CN2[C@@H](CO)CCC[C@H]2C(F)(F)F)c(O)c1 ZINC001231842570 1097861262 /nfs/dbraw/zinc/86/12/62/1097861262.db2.gz OOEMQFVAKCCYQF-DOMZBBRYSA-N 0 0 317.351 3.287 20 10 DGCDRN Cc1nc([C@H]2CCCCN2Cc2c(C)cc(C)cc2O)no1 ZINC001231846152 1097861818 /nfs/dbraw/zinc/86/18/18/1097861818.db2.gz GVISLMQUTGBLDN-OAHLLOKOSA-N 0 0 301.390 3.428 20 10 DGCDRN COc1cc(N(C)C)ccc1CN1CCC[C@H](F)C(F)(F)C1 ZINC001231849536 1097863799 /nfs/dbraw/zinc/86/37/99/1097863799.db2.gz VLWKHZQDMDUSFV-HNNXBMFYSA-N 0 0 316.367 3.330 20 10 DGCDRN CCCOC1CC[NH+](Cc2ccc(N(C)C)cc2OC)CC1 ZINC001231852835 1097864962 /nfs/dbraw/zinc/86/49/62/1097864962.db2.gz ATACLTZZHOYYAP-UHFFFAOYSA-N 0 0 306.450 3.152 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCCN(c2cccnc2)CC1 ZINC001231912855 1097890940 /nfs/dbraw/zinc/89/09/40/1097890940.db2.gz CGQILQQIXZDJAB-UHFFFAOYSA-N 0 0 317.820 3.153 20 10 DGCDRN O=C(Cc1c[nH]c2ccc(F)cc12)N1Cc2cccc(O)c2C1 ZINC001175029561 1097924077 /nfs/dbraw/zinc/92/40/77/1097924077.db2.gz HWZODTYHTSACIP-UHFFFAOYSA-N 0 0 310.328 3.098 20 10 DGCDRN O=C(Cc1ccc(F)c(Cl)c1)N1Cc2cccc(O)c2C1 ZINC001175039114 1097926639 /nfs/dbraw/zinc/92/66/39/1097926639.db2.gz VJNAPLHECPWHJJ-UHFFFAOYSA-N 0 0 305.736 3.270 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2ccn3c2nc(C)cc3C)c(O)c1 ZINC001175177426 1097969700 /nfs/dbraw/zinc/96/97/00/1097969700.db2.gz HDOZGOMXWWTSDQ-UHFFFAOYSA-N 0 0 323.396 3.204 20 10 DGCDRN CS(=O)(=O)N(c1ccc(N)cc1)c1ccc(Cl)c(F)c1 ZINC001175209606 1097973749 /nfs/dbraw/zinc/97/37/49/1097973749.db2.gz WJNXDEITJWKPOR-UHFFFAOYSA-N 0 0 314.769 3.159 20 10 DGCDRN Oc1ccc2c(c1)CCN(Cc1cc(Cl)c(O)cc1O)C2 ZINC001232257265 1097983183 /nfs/dbraw/zinc/98/31/83/1097983183.db2.gz AVXJUNNPXYDYRY-UHFFFAOYSA-N 0 0 305.761 3.015 20 10 DGCDRN Cc1cnc2c(c1)CN(Cc1cc(Cl)c(O)cc1O)CC2 ZINC001232263103 1097985162 /nfs/dbraw/zinc/98/51/62/1097985162.db2.gz GZKCHLMFKPTUJJ-UHFFFAOYSA-N 0 0 304.777 3.013 20 10 DGCDRN COc1cc(O)c(CN2CCC[C@H]2c2cnccn2)cc1Cl ZINC001232270064 1097988384 /nfs/dbraw/zinc/98/83/84/1097988384.db2.gz RPLQJTQLYCKVBC-AWEZNQCLSA-N 0 0 319.792 3.181 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(OCC)nc1 ZINC000066096245 1097993368 /nfs/dbraw/zinc/99/33/68/1097993368.db2.gz WVQNJOGDXSOOGQ-UHFFFAOYSA-N 0 0 314.385 3.238 20 10 DGCDRN CC[N@H+](Cc1ccccc1O)Cc1ccc(N(C)C)cc1O ZINC001232840968 1098150585 /nfs/dbraw/zinc/15/05/85/1098150585.db2.gz OQIYMYKEBJBQQZ-UHFFFAOYSA-N 0 0 300.402 3.186 20 10 DGCDRN Oc1cc(CN2CCSC[C@@H]2c2ccccc2)cc(O)c1O ZINC001233012038 1098204361 /nfs/dbraw/zinc/20/43/61/1098204361.db2.gz HVFMUWFBQDKXDD-CQSZACIVSA-N 0 0 317.410 3.094 20 10 DGCDRN [O-]c1c(C[NH+]2CCC3(CC(F)(F)CO3)CC2)ccc(F)c1F ZINC001233076225 1098219180 /nfs/dbraw/zinc/21/91/80/1098219180.db2.gz LZOLONQBUQBEEI-UHFFFAOYSA-N 0 0 319.298 3.061 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC[C@H]2COCc2ccccc2)ccc(F)c1F ZINC001233077425 1098220498 /nfs/dbraw/zinc/22/04/98/1098220498.db2.gz NFQMQHHYACELAJ-HNNXBMFYSA-N 0 0 319.351 3.462 20 10 DGCDRN Cc1ccnn1C1CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233079102 1098220697 /nfs/dbraw/zinc/22/06/97/1098220697.db2.gz VYHPBQYRORFUJG-UHFFFAOYSA-N 0 0 307.344 3.012 20 10 DGCDRN [O-]c1c(C[N@@H+]2CCC[C@@H](Oc3ccncc3)C2)ccc(F)c1F ZINC001233080202 1098220709 /nfs/dbraw/zinc/22/07/09/1098220709.db2.gz SECOVHYJSCGRJP-CQSZACIVSA-N 0 0 320.339 3.109 20 10 DGCDRN [O-]c1c(C[NH+]2CCC(Oc3cccnc3)CC2)ccc(F)c1F ZINC001233077711 1098221142 /nfs/dbraw/zinc/22/11/42/1098221142.db2.gz XKCIESAQMIKIHA-UHFFFAOYSA-N 0 0 320.339 3.109 20 10 DGCDRN Cc1cc(Br)cc(CN2Cc3ccncc3C2)c1O ZINC001233110956 1098228708 /nfs/dbraw/zinc/22/87/08/1098228708.db2.gz WIQVVFVYMHOQAX-UHFFFAOYSA-N 0 0 319.202 3.374 20 10 DGCDRN CCOC(=O)c1c(CN2CCC[C@@H]2CF)c2ccccc2n1C ZINC001233273740 1098271332 /nfs/dbraw/zinc/27/13/32/1098271332.db2.gz QEJOJYAPNKNFPV-CYBMUJFWSA-N 0 0 318.392 3.289 20 10 DGCDRN CCOC(=O)c1c(CN(C)CC(F)F)c2ccccc2n1C ZINC001233273427 1098271479 /nfs/dbraw/zinc/27/14/79/1098271479.db2.gz BZQPYAPRSHMKMV-UHFFFAOYSA-N 0 0 310.344 3.052 20 10 DGCDRN CN(CC(=O)OC(C)(C)C)Cc1cc(C(C)(C)C)ccc1O ZINC001233284571 1098274669 /nfs/dbraw/zinc/27/46/69/1098274669.db2.gz ZPMMREJGWBEZLS-UHFFFAOYSA-N 0 0 307.434 3.463 20 10 DGCDRN CC(C)(C)c1ccc(O)c(CN2CC(F)(F)C[C@@]2(C)CO)c1 ZINC001233284579 1098275119 /nfs/dbraw/zinc/27/51/19/1098275119.db2.gz ZTTVZCHTVXCVRB-INIZCTEOSA-N 0 0 313.388 3.282 20 10 DGCDRN COc1cc(Cl)cc(CN2CC3(C2)CC(F)(F)C3)c1O ZINC001233287575 1098275875 /nfs/dbraw/zinc/27/58/75/1098275875.db2.gz XUKIVRDGSKETLG-UHFFFAOYSA-N 0 0 303.736 3.285 20 10 DGCDRN COc1cc(Cl)cc(CN2CCc3cccnc3C2)c1O ZINC001233290501 1098278324 /nfs/dbraw/zinc/27/83/24/1098278324.db2.gz GHBXHQCFDLZBDJ-UHFFFAOYSA-N 0 0 304.777 3.008 20 10 DGCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001233334838 1098292641 /nfs/dbraw/zinc/29/26/41/1098292641.db2.gz VVZYTRHAHAKPLI-CQSZACIVSA-N 0 0 319.351 3.462 20 10 DGCDRN COc1cccc(CN(C)Cc2c(O)ccc(F)c2F)c1OC ZINC001233335751 1098292677 /nfs/dbraw/zinc/29/26/77/1098292677.db2.gz JTOHGPPKPDHEJH-UHFFFAOYSA-N 0 0 323.339 3.320 20 10 DGCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001233336356 1098294142 /nfs/dbraw/zinc/29/41/42/1098294142.db2.gz JBNSUNZSJIQZJW-CYBMUJFWSA-N 0 0 323.314 3.463 20 10 DGCDRN CC[N@H+](CCCC(=O)OC)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233415971 1098323145 /nfs/dbraw/zinc/32/31/45/1098323145.db2.gz QHVFYGLJULNOTK-UHFFFAOYSA-N 0 0 319.323 3.186 20 10 DGCDRN C[C@@]1(O)CCCC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233415658 1098323218 /nfs/dbraw/zinc/32/32/18/1098323218.db2.gz DMAQFMPYCWBZTM-CQSZACIVSA-N 0 0 303.324 3.148 20 10 DGCDRN CC[N@H+](CCN1CCCC1)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418571 1098324161 /nfs/dbraw/zinc/32/41/61/1098324161.db2.gz MFMKWULEDZWMMJ-UHFFFAOYSA-N 0 0 316.367 3.329 20 10 DGCDRN [O-]c1c(C[N@@H+]2CCC[C@@]23CCOC3)cccc1C(F)(F)F ZINC001233419400 1098324541 /nfs/dbraw/zinc/32/45/41/1098324541.db2.gz WSEUJAUNCILSRZ-AWEZNQCLSA-N 0 0 301.308 3.166 20 10 DGCDRN CN(CC(=O)OC(C)(C)C)Cc1ccc(C(F)(F)F)cc1O ZINC001233452273 1098338003 /nfs/dbraw/zinc/33/80/03/1098338003.db2.gz QDTYALRRBIGNBU-UHFFFAOYSA-N 0 0 319.323 3.185 20 10 DGCDRN CC(C)O[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233454992 1098340283 /nfs/dbraw/zinc/34/02/83/1098340283.db2.gz RNWREWDGJRRBSC-CYBMUJFWSA-N 0 0 303.324 3.410 20 10 DGCDRN C[C@@H]1c2sccc2CCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001176441453 1098344183 /nfs/dbraw/zinc/34/41/83/1098344183.db2.gz QPDPKJUNBRHBJY-USEMIUTHSA-N 0 0 315.394 3.318 20 10 DGCDRN C[C@H]1c2sccc2CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001176441452 1098344194 /nfs/dbraw/zinc/34/41/94/1098344194.db2.gz QPDPKJUNBRHBJY-TZNOJPMFSA-N 0 0 315.394 3.318 20 10 DGCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@H](C)C(=O)OC(C)(C)C ZINC001233497244 1098351254 /nfs/dbraw/zinc/35/12/54/1098351254.db2.gz OBFKPTWJUUVZKW-SNVBAGLBSA-N 0 0 324.373 3.190 20 10 DGCDRN CCCCOC(=O)[C@H](C)Oc1cc(O)c(O)cc1C(=O)CCC ZINC001233496363 1098352273 /nfs/dbraw/zinc/35/22/73/1098352273.db2.gz FNCYXXJAKFONOU-NSHDSACASA-N 0 0 324.373 3.191 20 10 DGCDRN CCN1CCc2cc(O[C@H]3CC[C@@H](C(=O)OC)CC3)ccc21 ZINC001233602599 1098386476 /nfs/dbraw/zinc/38/64/76/1098386476.db2.gz XHBLFUGJMARVEA-OTVXOJSOSA-N 0 0 303.402 3.180 20 10 DGCDRN C[C@@H](Oc1nc[nH]c2cc(=O)c(O)cc1-2)c1cccnc1Cl ZINC001233949386 1098464696 /nfs/dbraw/zinc/46/46/96/1098464696.db2.gz FYQSNSQZEDUJQU-MRVPVSSYSA-N 0 0 317.732 3.229 20 10 DGCDRN C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])N(C)c1ccccc1 ZINC001177262232 1098509027 /nfs/dbraw/zinc/50/90/27/1098509027.db2.gz QXTYVXUHDNJZEH-LBPRGKRZSA-N 0 0 306.356 3.285 20 10 DGCDRN O=C1OCCN1c1ccc(NCc2cc(F)cc(F)c2O)cc1 ZINC001177449611 1098533226 /nfs/dbraw/zinc/53/32/26/1098533226.db2.gz IXUHBIWIEXHEIT-UHFFFAOYSA-N 0 0 320.295 3.239 20 10 DGCDRN Cc1cc(C)c(CNC(=O)[C@@H]2C[C@@H]2c2cccs2)c(O)c1 ZINC001177552807 1098547519 /nfs/dbraw/zinc/54/75/19/1098547519.db2.gz VKCOZIWHCHWIHX-QWHCGFSZSA-N 0 0 301.411 3.490 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1OC[C@@H]1CCc2ccccc2O1 ZINC001234473832 1098564508 /nfs/dbraw/zinc/56/45/08/1098564508.db2.gz KLGCKKJNAITZJP-ZDUSSCGKSA-N 0 0 314.337 3.073 20 10 DGCDRN COc1ccc2ccc(O)c(CN3Cc4cccnc4C3)c2c1 ZINC001234519486 1098576791 /nfs/dbraw/zinc/57/67/91/1098576791.db2.gz ZUAXQHXDXVRBOC-UHFFFAOYSA-N 0 0 306.365 3.465 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2[nH]c(C)nc2C)C1 ZINC001234634734 1098626492 /nfs/dbraw/zinc/62/64/92/1098626492.db2.gz HQUZHCCMWJFFPS-UHFFFAOYSA-N 0 0 324.428 3.085 20 10 DGCDRN Cc1ccnc(C2(C(=O)NCc3c(C)cc(C)cc3O)CC2)c1 ZINC001178073140 1098711126 /nfs/dbraw/zinc/71/11/26/1098711126.db2.gz WAOZRHRIQCELSS-UHFFFAOYSA-N 0 0 310.397 3.060 20 10 DGCDRN Cc1ccc(C2(C(=O)NCc3c(C)cc(C)cc3O)CC2)nc1 ZINC001178145024 1098721676 /nfs/dbraw/zinc/72/16/76/1098721676.db2.gz DGDMFNXFIRTGAG-UHFFFAOYSA-N 0 0 310.397 3.060 20 10 DGCDRN CCC[N@H+](CCOC)Cc1cc(Br)cc(F)c1[O-] ZINC001235058163 1098779123 /nfs/dbraw/zinc/77/91/23/1098779123.db2.gz YDUTVOMQHWOCJN-UHFFFAOYSA-N 0 0 320.202 3.152 20 10 DGCDRN CSCC[N@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC001235066342 1098780410 /nfs/dbraw/zinc/78/04/10/1098780410.db2.gz HHRIBJASCKTAOG-UHFFFAOYSA-N 0 0 308.216 3.089 20 10 DGCDRN C[C@H](C(=O)NCc1c(O)cccc1F)c1ccc(F)c(F)c1 ZINC001178413452 1098827527 /nfs/dbraw/zinc/82/75/27/1098827527.db2.gz RXYCMUNCPZQJDK-VIFPVBQESA-N 0 0 309.287 3.229 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@@H]1CCSc2ccccc21 ZINC001178413081 1098827593 /nfs/dbraw/zinc/82/75/93/1098827593.db2.gz NKTWOFMJSQUIHO-GFCCVEGCSA-N 0 0 317.385 3.427 20 10 DGCDRN [O-]c1c(Br)cc(F)cc1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001235300891 1098949655 /nfs/dbraw/zinc/94/96/55/1098949655.db2.gz APRFDEHEYHWNOZ-GZMMTYOYSA-N 0 0 300.171 3.278 20 10 DGCDRN O=C(Cc1cccc2ccccc21)NCc1c(O)cccc1O ZINC001178905109 1098967976 /nfs/dbraw/zinc/96/79/76/1098967976.db2.gz HUXOOWAXEKXOHH-UHFFFAOYSA-N 0 0 307.349 3.110 20 10 DGCDRN C[C@@H]1C(=O)CC[C@@H]1CC(=O)NCc1c(O)ccc2ccccc21 ZINC001179032495 1099006124 /nfs/dbraw/zinc/00/61/24/1099006124.db2.gz IWMZCHDSDBHQGV-GXTWGEPZSA-N 0 0 311.381 3.167 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cnn(C2CC2)c1 ZINC001179032253 1099006487 /nfs/dbraw/zinc/00/64/87/1099006487.db2.gz CMWYAFNXCWKAKL-UHFFFAOYSA-N 0 0 307.353 3.007 20 10 DGCDRN CC[N@H+](CCn1ccnc1)Cc1ccc(C(C)(C)C)cc1O ZINC001235681498 1099123799 /nfs/dbraw/zinc/12/37/99/1099123799.db2.gz MNURXOQZMRAHOV-UHFFFAOYSA-N 0 0 301.434 3.408 20 10 DGCDRN CN(CC(=O)OC(C)(C)C)Cc1ccc(C(C)(C)C)cc1O ZINC001235681235 1099124914 /nfs/dbraw/zinc/12/49/14/1099124914.db2.gz HCAJAOINYNCPJZ-UHFFFAOYSA-N 0 0 307.434 3.463 20 10 DGCDRN COCC[N@H+](CCc1ccccc1)Cc1ccc(F)c(F)c1[O-] ZINC001179942466 1099247442 /nfs/dbraw/zinc/24/74/42/1099247442.db2.gz QPZGVPBKMBTEKN-UHFFFAOYSA-N 0 0 321.367 3.362 20 10 DGCDRN CCOCCOC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC001179983804 1099266169 /nfs/dbraw/zinc/26/61/69/1099266169.db2.gz FWCSCEUISZJZMH-UHFFFAOYSA-N 0 0 313.825 3.063 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)N[C@H]2COCc3ccccc32)cc1 ZINC001180129724 1099308188 /nfs/dbraw/zinc/30/81/88/1099308188.db2.gz DMYLGRXXNJWYEB-DLENHJPASA-N 0 0 322.408 3.154 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)N[C@@H]2CCc3c2cccc3O)cc1 ZINC001180130457 1099310205 /nfs/dbraw/zinc/31/02/05/1099310205.db2.gz PJQQGGXZRYWNEW-INMULRNOSA-N 0 0 322.408 3.275 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)N2CC3(C2)CC(F)(F)C3)cc1 ZINC001180122451 1099320792 /nfs/dbraw/zinc/32/07/92/1099320792.db2.gz YFRHNCCSKWGCLA-VMPITWQZSA-N 0 0 306.356 3.024 20 10 DGCDRN C[C@@H]1c2cccn2CCN1Cc1cc(F)c(N(C)C)cc1F ZINC001180429823 1099403453 /nfs/dbraw/zinc/40/34/53/1099403453.db2.gz GFKKWEXSCGQYKE-GFCCVEGCSA-N 0 0 305.372 3.409 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1ccnc(Cl)c1F ZINC001180409841 1099411366 /nfs/dbraw/zinc/41/13/66/1099411366.db2.gz GFZHRFQZYYTOJW-UHFFFAOYSA-N 0 0 315.131 3.163 20 10 DGCDRN Cc1cc(C)c(CNC(=O)COc2cccc(C)c2C)c(O)c1 ZINC001180501765 1099445568 /nfs/dbraw/zinc/44/55/68/1099445568.db2.gz ATKJXJDAAMSUQS-UHFFFAOYSA-N 0 0 313.397 3.321 20 10 DGCDRN CCOc1ncc(Cl)cc1-c1ccc2ncc(=O)n(C)c2c1 ZINC001236497978 1099647028 /nfs/dbraw/zinc/64/70/28/1099647028.db2.gz QRQUXULAPHWHMQ-UHFFFAOYSA-N 0 0 315.760 3.048 20 10 DGCDRN CC(C)Oc1cncc(-c2ccn(Cc3ccccn3)c(=O)c2)c1 ZINC001236522000 1099659376 /nfs/dbraw/zinc/65/93/76/1099659376.db2.gz VAGNMZWEBQKICI-UHFFFAOYSA-N 0 0 321.380 3.141 20 10 DGCDRN COc1ccc(C(=O)N2CCc3cccc(O)c3C2)c(C)c1C ZINC001188072487 1099677025 /nfs/dbraw/zinc/67/70/25/1099677025.db2.gz RIUSJHFIRIXVPI-UHFFFAOYSA-N 0 0 311.381 3.216 20 10 DGCDRN [O-]c1cc(F)cc(F)c1CN([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236655058 1099727071 /nfs/dbraw/zinc/72/70/71/1099727071.db2.gz YZPRNFVVNDLWFS-CQSZACIVSA-N 0 0 310.388 3.167 20 10 DGCDRN COC[C@@H]1CCC[N@@H+]1Cc1cc(C)cc(Br)c1[O-] ZINC001236662686 1099730539 /nfs/dbraw/zinc/73/05/39/1099730539.db2.gz GSYVXXOYZDMVOC-LBPRGKRZSA-N 0 0 314.223 3.074 20 10 DGCDRN Cc1cc(Br)c(O)c(CN2CCC[C@@H]2CF)c1 ZINC001236669052 1099735197 /nfs/dbraw/zinc/73/51/97/1099735197.db2.gz GAKBDAPMWZWQKT-LLVKDONJSA-N 0 0 302.187 3.397 20 10 DGCDRN Oc1cc(CN2Cc3ccccc3C2)c(O)cc1Br ZINC001236773825 1099777904 /nfs/dbraw/zinc/77/79/04/1099777904.db2.gz UNUHODBBTYOPTJ-UHFFFAOYSA-N 0 0 320.186 3.376 20 10 DGCDRN COC[C@H]1CC[N@@H+]1Cc1cc(OCc2ccccc2)ccc1O ZINC001236782050 1099780467 /nfs/dbraw/zinc/78/04/67/1099780467.db2.gz IHYWAICAYITASJ-QGZVFWFLSA-N 0 0 313.397 3.192 20 10 DGCDRN CCc1ccc(CN2Cc3ccc(C(=O)OC)cc3C2)c(O)c1 ZINC001236788475 1099784435 /nfs/dbraw/zinc/78/44/35/1099784435.db2.gz NXNCKRMFSCJDFE-UHFFFAOYSA-N 0 0 311.381 3.257 20 10 DGCDRN Oc1cc(Cl)c(Cl)cc1CN1CC2(C1)CCCCO2 ZINC001236791219 1099786903 /nfs/dbraw/zinc/78/69/03/1099786903.db2.gz YOJKOHWMENNCGQ-UHFFFAOYSA-N 0 0 302.201 3.454 20 10 DGCDRN CCc1ccc(CN2CCCC[C@H]2c2noc(C)n2)c(O)c1 ZINC001236793773 1099787247 /nfs/dbraw/zinc/78/72/47/1099787247.db2.gz FJJCUEOSDVLRNE-HNNXBMFYSA-N 0 0 301.390 3.373 20 10 DGCDRN [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001236798667 1099793668 /nfs/dbraw/zinc/79/36/68/1099793668.db2.gz JSMBQIBZCQYCRQ-CQSZACIVSA-N 0 0 302.201 3.454 20 10 DGCDRN COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236798703 1099794099 /nfs/dbraw/zinc/79/40/99/1099794099.db2.gz KVPZRPLKDDDHOL-JTQLQIEISA-N 0 0 318.200 3.227 20 10 DGCDRN COC(=O)[C@]1(C)CC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236801153 1099796251 /nfs/dbraw/zinc/79/62/51/1099796251.db2.gz AXTQLRKNCAIREK-CQSZACIVSA-N 0 0 318.200 3.084 20 10 DGCDRN COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)CC2)c([O-])c1Cl ZINC001236801481 1099797124 /nfs/dbraw/zinc/79/71/24/1099797124.db2.gz JWWGZZSIMGCLKZ-BZNIZROVSA-N 0 0 313.825 3.037 20 10 DGCDRN COc1ccc(CN2CC[C@H]([NH+]3CCCCC3)C2)c([O-])c1Cl ZINC001236808546 1099799390 /nfs/dbraw/zinc/79/93/90/1099799390.db2.gz DKVOXQWTTXFPLK-AWEZNQCLSA-N 0 0 324.852 3.114 20 10 DGCDRN COc1ccc(C[NH+]2CCC(n3cccn3)CC2)c([O-])c1Cl ZINC001236805686 1099800148 /nfs/dbraw/zinc/80/01/48/1099800148.db2.gz DRLNPMXIRGTMCO-UHFFFAOYSA-N 0 0 321.808 3.088 20 10 DGCDRN COc1ccc(C[NH+]2CCC(OC(C)C)CC2)c([O-])c1Cl ZINC001236812094 1099801547 /nfs/dbraw/zinc/80/15/47/1099801547.db2.gz RBVLRLGOGRKCKC-UHFFFAOYSA-N 0 0 313.825 3.444 20 10 DGCDRN Cc1n[nH]c(C)c1C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001188593067 1099802408 /nfs/dbraw/zinc/80/24/08/1099802408.db2.gz FFIJIGKCUCEDQR-UHFFFAOYSA-N 0 0 320.396 3.456 20 10 DGCDRN O=C(c1ccccc1)c1ccccc1NS(=O)(=O)CC1CC1 ZINC001188962164 1099913239 /nfs/dbraw/zinc/91/32/39/1099913239.db2.gz KVEOMRULLCVNBI-UHFFFAOYSA-N 0 0 315.394 3.069 20 10 DGCDRN Oc1cc(OCC(F)(F)F)ccc1CN1Cc2ccncc2C1 ZINC001237056659 1099947043 /nfs/dbraw/zinc/94/70/43/1099947043.db2.gz NMSBJIGLEVOCOI-UHFFFAOYSA-N 0 0 324.302 3.244 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2cccc(-c3cc[nH]n3)c2)c(O)c1 ZINC001189028814 1099949589 /nfs/dbraw/zinc/94/95/89/1099949589.db2.gz QVDYMLBZXDUAIQ-UHFFFAOYSA-N 0 0 321.380 3.329 20 10 DGCDRN COc1cc(O)c(CN2CCC(F)(F)C2)c(Br)c1 ZINC001237063504 1099952576 /nfs/dbraw/zinc/95/25/76/1099952576.db2.gz SCPYDJZSRJTMJQ-UHFFFAOYSA-N 0 0 322.149 3.004 20 10 DGCDRN CC[N@H+](CCCC(=O)OC)Cc1c([O-])ccc(Cl)c1Cl ZINC001237077290 1099955631 /nfs/dbraw/zinc/95/56/31/1099955631.db2.gz FHMHOTZQGGNPFX-UHFFFAOYSA-N 0 0 320.216 3.474 20 10 DGCDRN [O-]c1ccc(Cl)c(Cl)c1C[NH+]1CCC2(CCO2)CC1 ZINC001237085392 1099962160 /nfs/dbraw/zinc/96/21/60/1099962160.db2.gz YZZUIMZHGDRWQH-UHFFFAOYSA-N 0 0 302.201 3.454 20 10 DGCDRN COC(=O)CC[N@H+](Cc1c([O-])ccc(Cl)c1Cl)C1CC1 ZINC001237087134 1099965565 /nfs/dbraw/zinc/96/55/65/1099965565.db2.gz UNULFURIQLCUKO-UHFFFAOYSA-N 0 0 318.200 3.227 20 10 DGCDRN Oc1cccc(OC(F)(F)F)c1CN1CCCCC12COC2 ZINC001237122809 1099983058 /nfs/dbraw/zinc/98/30/58/1099983058.db2.gz LKJMSYJHDBERRD-UHFFFAOYSA-N 0 0 317.307 3.046 20 10 DGCDRN CCN(Cc1c(O)ccc(F)c1Cl)C1CC[NH+](C)CC1 ZINC001237125733 1099983926 /nfs/dbraw/zinc/98/39/26/1099983926.db2.gz VACNPIWFTXTGSU-UHFFFAOYSA-N 0 0 300.805 3.101 20 10 DGCDRN C[C@H]1CCN(Cc2cc(C(F)(F)F)ccc2O)CCC1=O ZINC001237138805 1099989727 /nfs/dbraw/zinc/98/97/27/1099989727.db2.gz ZAPKXTJEIVTHFQ-JTQLQIEISA-N 0 0 301.308 3.212 20 10 DGCDRN C[N@@H+](Cc1cc(C(F)(F)F)ccc1O)C[C@H]1CCCCO1 ZINC001237140091 1099990963 /nfs/dbraw/zinc/99/09/63/1099990963.db2.gz UOAGSQLDCYZNQH-CYBMUJFWSA-N 0 0 303.324 3.412 20 10 DGCDRN CCOC(=O)C1(N(Cc2ccccc2)Cc2ccc(N)cc2)CC1 ZINC001237465293 1100133689 /nfs/dbraw/zinc/13/36/89/1100133689.db2.gz UCCYALOISFKTCV-UHFFFAOYSA-N 0 0 324.424 3.367 20 10 DGCDRN CCOC(=O)CN(Cc1ccsc1)Cc1c(C)cccc1O ZINC001237491132 1100143317 /nfs/dbraw/zinc/14/33/17/1100143317.db2.gz GWXXGBBNGJXTFI-UHFFFAOYSA-N 0 0 319.426 3.327 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC[C@]1(C)O ZINC001237618414 1100190309 /nfs/dbraw/zinc/19/03/09/1100190309.db2.gz ZZMBQUXQPCYQQQ-BMIGLBTASA-N 0 0 301.789 3.168 20 10 DGCDRN OC[C@@]1(F)CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237642026 1100199264 /nfs/dbraw/zinc/19/92/64/1100199264.db2.gz XGLIWMMOCCERQS-GOSISDBHSA-N 0 0 319.351 3.105 20 10 DGCDRN C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237642000 1100199431 /nfs/dbraw/zinc/19/94/31/1100199431.db2.gz WYWRGYMEHKIBAF-CJNGLKHVSA-N 0 0 315.388 3.401 20 10 DGCDRN Cc1cc(O)c(CN2CCOC(C)(C)C2)cc1Br ZINC001237676074 1100209615 /nfs/dbraw/zinc/20/96/15/1100209615.db2.gz DPKHARIQTURIST-UHFFFAOYSA-N 0 0 314.223 3.074 20 10 DGCDRN Cc1cc(O)c(CN2C[C@@H](F)C[C@H]2CF)cc1Br ZINC001237675831 1100210538 /nfs/dbraw/zinc/21/05/38/1100210538.db2.gz BRLKIDLOIFTAKI-QWRGUYRKSA-N 0 0 320.177 3.345 20 10 DGCDRN CC[NH+](CC)[C@@H]1CCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237799622 1100250800 /nfs/dbraw/zinc/25/08/00/1100250800.db2.gz SGVKHEAZMFGBBA-CYBMUJFWSA-N 0 0 300.805 3.101 20 10 DGCDRN CC(C)[N@@H+]1CCN(Cc2cc(F)cc(Cl)c2[O-])C[C@@H]1C ZINC001237803243 1100251556 /nfs/dbraw/zinc/25/15/56/1100251556.db2.gz RTTDYMLUIYVHOB-NSHDSACASA-N 0 0 300.805 3.099 20 10 DGCDRN CN1CCN(Cc2cc(F)c(Cl)cc2O)Cc2cccnc21 ZINC001237938011 1100296530 /nfs/dbraw/zinc/29/65/30/1100296530.db2.gz RMAXANKYUINPSE-UHFFFAOYSA-N 0 0 321.783 3.032 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2cc(F)c(Cl)cc2[O-])CCC[C@@]1(C)O ZINC001237935039 1100297075 /nfs/dbraw/zinc/29/70/75/1100297075.db2.gz PDKDCFHRXUEIJP-MEBBXXQBSA-N 0 0 301.789 3.168 20 10 DGCDRN Oc1cc(Cl)c(F)cc1CN1CCC[C@H]1c1ncccn1 ZINC001237944858 1100299829 /nfs/dbraw/zinc/29/98/29/1100299829.db2.gz WSXNMEBKGRWVRB-ZDUSSCGKSA-N 0 0 307.756 3.312 20 10 DGCDRN Cc1cc(F)cc(CN2CCc3nc(C4CC4)ncc3C2)c1O ZINC001238068782 1100348343 /nfs/dbraw/zinc/34/83/43/1100348343.db2.gz FRBICAAFOYLKHV-UHFFFAOYSA-N 0 0 313.376 3.065 20 10 DGCDRN O=C(c1cncc(C(F)(F)F)c1)N1CCc2cccc(O)c2C1 ZINC001190933296 1100362109 /nfs/dbraw/zinc/36/21/09/1100362109.db2.gz LPQHLQVMDBLCPC-UHFFFAOYSA-N 0 0 322.286 3.005 20 10 DGCDRN Cc1cc(NC(=O)NCc2cccc(O)c2O)ccc1Cl ZINC001191783763 1100520638 /nfs/dbraw/zinc/52/06/38/1100520638.db2.gz MLIVRXOOYHVHTL-UHFFFAOYSA-N 0 0 306.749 3.381 20 10 DGCDRN O=C(NCc1ccccc1O)c1ccncc1-c1ccccc1 ZINC001191905736 1100543304 /nfs/dbraw/zinc/54/33/04/1100543304.db2.gz CPUKOXXDBCNHHJ-UHFFFAOYSA-N 0 0 304.349 3.384 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)O[C@@H](C)CC(C)C)C2)cc1 ZINC001192415412 1100614650 /nfs/dbraw/zinc/61/46/50/1100614650.db2.gz DGCOPFGCDRREGE-GJZGRUSLSA-N 0 0 320.433 3.435 20 10 DGCDRN CN(Cc1ccccc1)c1ccc(-c2ccn(C)c(=O)c2)cn1 ZINC001239660332 1100717086 /nfs/dbraw/zinc/71/70/86/1100717086.db2.gz IPEJSYLEBFTTBR-UHFFFAOYSA-N 0 0 305.381 3.084 20 10 DGCDRN O=C(Nc1scnc1C1CC1)c1ccc(O)c(O)c1Cl ZINC001193220793 1100718917 /nfs/dbraw/zinc/71/89/17/1100718917.db2.gz XIVUHAXWXGXJEK-UHFFFAOYSA-N 0 0 310.762 3.337 20 10 DGCDRN O=C(c1ccc(O)c(O)c1Cl)N1CCC[C@@H]1c1ccccn1 ZINC001193232441 1100719468 /nfs/dbraw/zinc/71/94/68/1100719468.db2.gz JSKCLXPVWVKHLL-GFCCVEGCSA-N 0 0 318.760 3.124 20 10 DGCDRN O=C(Nc1cccc2c1OCCC2)c1ccc(O)c(O)c1Cl ZINC001193229091 1100722104 /nfs/dbraw/zinc/72/21/04/1100722104.db2.gz DAQIQDZMWUZXTE-UHFFFAOYSA-N 0 0 319.744 3.329 20 10 DGCDRN O=C(Nc1ccc2oncc2c1)c1ccc(O)c(O)c1Cl ZINC001193230620 1100722468 /nfs/dbraw/zinc/72/24/68/1100722468.db2.gz YDUDCRLWVAUNBH-UHFFFAOYSA-N 0 0 304.689 3.145 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)OC3CCCC3)CC2)cc1 ZINC001193557404 1100771070 /nfs/dbraw/zinc/77/10/70/1100771070.db2.gz RIRKDMNLDVEIRF-UHFFFAOYSA-N 0 0 318.417 3.287 20 10 DGCDRN CCCCOC(=O)NCc1cc(Br)ccc1O ZINC001193723531 1100793038 /nfs/dbraw/zinc/79/30/38/1100793038.db2.gz KFKXFOYZHNWBPA-UHFFFAOYSA-N 0 0 302.168 3.181 20 10 DGCDRN CCCCOC(=O)N1CCN(c2ccc(OCC)cc2)CC1 ZINC001193693910 1100793087 /nfs/dbraw/zinc/79/30/87/1100793087.db2.gz OSDFYYRTESQXPU-UHFFFAOYSA-N 0 0 306.406 3.144 20 10 DGCDRN CCCCCOC(=O)N1CCN(c2ccc(OC)cc2C)CC1 ZINC001193764433 1100808558 /nfs/dbraw/zinc/80/85/58/1100808558.db2.gz IVBISRVQOYQMMW-UHFFFAOYSA-N 0 0 320.433 3.452 20 10 DGCDRN Cc1cnc(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)nc1 ZINC001194073135 1100864370 /nfs/dbraw/zinc/86/43/70/1100864370.db2.gz LTXGKSJFESJVKQ-UHFFFAOYSA-N 0 0 318.380 3.214 20 10 DGCDRN Cc1nn(C)cc1-c1ncnc2c1ccn2Cc1ccc(F)cc1 ZINC001240299330 1100931882 /nfs/dbraw/zinc/93/18/82/1100931882.db2.gz PHKSCHJHCOMAAO-UHFFFAOYSA-N 0 0 321.359 3.328 20 10 DGCDRN Cc1c(-c2ncnc3c2ccn3Cc2ccccc2F)cnn1C ZINC001240379259 1100966227 /nfs/dbraw/zinc/96/62/27/1100966227.db2.gz QJVVJKJGCNWYIE-UHFFFAOYSA-N 0 0 321.359 3.328 20 10 DGCDRN CCC(CC)COC(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001194706401 1100996111 /nfs/dbraw/zinc/99/61/11/1100996111.db2.gz SQDUKVQLMHHVGC-UHFFFAOYSA-N 0 0 307.390 3.419 20 10 DGCDRN Cc1n[nH]cc1-c1ncnc2c1c(C)c(C)n2Cc1ccco1 ZINC001240518797 1101032756 /nfs/dbraw/zinc/03/27/56/1101032756.db2.gz HZUPETWFBXIEIP-UHFFFAOYSA-N 0 0 307.357 3.388 20 10 DGCDRN CC[C@H](C)OC(=O)NCc1ccc(Br)cc1O ZINC001195149978 1101086546 /nfs/dbraw/zinc/08/65/46/1101086546.db2.gz DMKGXMSLNAOZAI-QMMMGPOBSA-N 0 0 302.168 3.179 20 10 DGCDRN Cc1cccc(CNS(=O)(=O)c2cccc(C(C)C)c2)c1O ZINC001195178046 1101093924 /nfs/dbraw/zinc/09/39/24/1101093924.db2.gz DMFJOYKJFCYTQK-UHFFFAOYSA-N 0 0 319.426 3.303 20 10 DGCDRN Cn1ncc(NC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)n1 ZINC001195261106 1101106445 /nfs/dbraw/zinc/10/64/45/1101106445.db2.gz FLJJHSLGWDDUBJ-FMQUCBEESA-N 0 0 322.328 3.188 20 10 DGCDRN O=C(NCc1cn[nH]c1)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195279432 1101111242 /nfs/dbraw/zinc/11/12/42/1101111242.db2.gz PELDASDRSLNQNL-QURGRASLSA-N 0 0 321.340 3.461 20 10 DGCDRN Cc1cc(-c2nccn2C)c(-c2ccc(OC(C)C)nc2)nn1 ZINC001240809405 1101144859 /nfs/dbraw/zinc/14/48/59/1101144859.db2.gz VFGMQJBLLDIABF-UHFFFAOYSA-N 0 0 309.373 3.035 20 10 DGCDRN O=c1[nH]cccc1-c1ncnc2c1ccn2Cc1ccccc1 ZINC001241106919 1101256864 /nfs/dbraw/zinc/25/68/64/1101256864.db2.gz SZRHDVPUKPZKJJ-UHFFFAOYSA-N 0 0 302.337 3.247 20 10 DGCDRN CCOc1cccc(CNC(=S)Nc2ccc(F)cc2C)n1 ZINC001196150882 1101257331 /nfs/dbraw/zinc/25/73/31/1101257331.db2.gz CWEGNHFJHBRMMW-UHFFFAOYSA-N 0 0 319.405 3.414 20 10 DGCDRN Cc1cccc(NC(=S)NCc2ncc(F)cc2F)c1C ZINC001196435509 1101300541 /nfs/dbraw/zinc/30/05/41/1101300541.db2.gz ZTPDMHGIHREVGB-UHFFFAOYSA-N 0 0 307.369 3.463 20 10 DGCDRN Cc1cc(C)c(CNC(=S)NCc2ccc(F)cc2)c(O)c1 ZINC001196510316 1101325789 /nfs/dbraw/zinc/32/57/89/1101325789.db2.gz OUUMADIFDIVHJO-UHFFFAOYSA-N 0 0 318.417 3.312 20 10 DGCDRN c1ccc(N2CC=C(c3cncc(N4CCCC4)n3)CC2)cc1 ZINC001241345222 1101392962 /nfs/dbraw/zinc/39/29/62/1101392962.db2.gz BLSXHESLDUASNG-UHFFFAOYSA-N 0 0 306.413 3.371 20 10 DGCDRN CNC(=O)c1ncc(C2=CCN(c3ccccc3)CC2)cc1C ZINC001241354207 1101398154 /nfs/dbraw/zinc/39/81/54/1101398154.db2.gz CHOIUOPURRBZEO-UHFFFAOYSA-N 0 0 307.397 3.043 20 10 DGCDRN COC(=O)c1cc(F)ncc1C1=CCN(c2ccccc2)CC1 ZINC001241356217 1101399293 /nfs/dbraw/zinc/39/92/93/1101399293.db2.gz WQYJIZFARHVJMT-UHFFFAOYSA-N 0 0 312.344 3.301 20 10 DGCDRN COC(=O)c1cc(OC)ncc1C1=CCN(c2ccccc2)CC1 ZINC001241355515 1101399389 /nfs/dbraw/zinc/39/93/89/1101399389.db2.gz TVKOAMOFFGBQGU-UHFFFAOYSA-N 0 0 324.380 3.171 20 10 DGCDRN CCOC(=O)Cc1ncccc1C1=CCN(c2ccccc2)CC1 ZINC001241355964 1101400387 /nfs/dbraw/zinc/40/03/87/1101400387.db2.gz ZZUHRGTXXQOYCI-UHFFFAOYSA-N 0 0 322.408 3.481 20 10 DGCDRN CSc1cccc(C(=O)N2CCc3cccc(O)c3C2)c1F ZINC001197107249 1101479524 /nfs/dbraw/zinc/47/95/24/1101479524.db2.gz UPHGIHXJTFSJIO-UHFFFAOYSA-N 0 0 317.385 3.452 20 10 DGCDRN CC(C)Oc1ccnc(CNC(=S)Nc2cccc(F)c2)c1 ZINC001197664946 1101628615 /nfs/dbraw/zinc/62/86/15/1101628615.db2.gz MRZRJHIADNKIIB-UHFFFAOYSA-N 0 0 319.405 3.495 20 10 DGCDRN Cn1ccc2c1cccc2-c1cn(-c2ccccc2)c(=O)cn1 ZINC001241824666 1101730756 /nfs/dbraw/zinc/73/07/56/1101730756.db2.gz VHAYJRBJGZFVRB-UHFFFAOYSA-N 0 0 301.349 3.391 20 10 DGCDRN CCOc1cc(F)ccc1NC(=O)N1Cc2cccc(O)c2C1 ZINC001198338574 1101827669 /nfs/dbraw/zinc/82/76/69/1101827669.db2.gz GHEFDLWOWQNRLR-UHFFFAOYSA-N 0 0 316.332 3.478 20 10 DGCDRN CCOc1cccc(CNC(=S)Nc2ccccc2C)n1 ZINC001198454301 1101860714 /nfs/dbraw/zinc/86/07/14/1101860714.db2.gz GSTGYYNYRPTNRY-UHFFFAOYSA-N 0 0 301.415 3.275 20 10 DGCDRN Cc1cc(-c2nc3ccccc3n2C)c(-c2ccc(=O)[nH]c2)nn1 ZINC001242062591 1101887152 /nfs/dbraw/zinc/88/71/52/1101887152.db2.gz PCSZHOIFCYLKOB-UHFFFAOYSA-N 0 0 317.352 3.106 20 10 DGCDRN C=CS(=O)(=O)Nc1ccc(C)cc1C(=O)c1ccccc1 ZINC001198609953 1101925650 /nfs/dbraw/zinc/92/56/50/1101925650.db2.gz QOOIKBLKALCYOS-UHFFFAOYSA-N 0 0 301.367 3.111 20 10 DGCDRN CN(C)c1ccc(NC(=S)NCc2cccc(Cl)n2)cc1 ZINC001198777197 1101983614 /nfs/dbraw/zinc/98/36/14/1101983614.db2.gz YEUDAZCESGHJGQ-UHFFFAOYSA-N 0 0 320.849 3.288 20 10 DGCDRN Cc1cc(O)ccc1NS(=O)(=O)c1ccc2occc2c1 ZINC001198863236 1102010708 /nfs/dbraw/zinc/01/07/08/1102010708.db2.gz XCYYCNAUTXYIEP-UHFFFAOYSA-N 0 0 303.339 3.248 20 10 DGCDRN COc1c(F)cc(NCc2cc(F)ccc2O)c(OC)c1F ZINC001205859501 1102089872 /nfs/dbraw/zinc/08/98/72/1102089872.db2.gz IQJYYWPHQVEPHM-UHFFFAOYSA-N 0 0 313.275 3.439 20 10 DGCDRN CC(=O)c1ccc(-c2cc(N3CCc4ccccc43)ncn2)cn1 ZINC001242399995 1102106508 /nfs/dbraw/zinc/10/65/08/1102106508.db2.gz JQCXSUCRSUMASG-UHFFFAOYSA-N 0 0 316.364 3.435 20 10 DGCDRN Oc1cccc2c1CN(C(=S)NC1CCCCCC1)CC2 ZINC001199971159 1102259823 /nfs/dbraw/zinc/25/98/23/1102259823.db2.gz XLBLDINXEDURRK-UHFFFAOYSA-N 0 0 304.459 3.348 20 10 DGCDRN CCc1[nH]nc2ncc(-c3ccc4ccc(=O)n(C)c4c3)cc12 ZINC001242826164 1102367662 /nfs/dbraw/zinc/36/76/62/1102367662.db2.gz HXSHOHRWFOPFND-UHFFFAOYSA-N 0 0 304.353 3.039 20 10 DGCDRN Oc1ccc(CNC(=S)Nc2ccccc2Cl)cc1O ZINC001200866959 1102427537 /nfs/dbraw/zinc/42/75/37/1102427537.db2.gz RWPSKLWFHAZEGY-UHFFFAOYSA-N 0 0 308.790 3.238 20 10 DGCDRN c1nn2ccccc2c1-c1cc(N2CCc3ccccc32)ncn1 ZINC001242963815 1102445965 /nfs/dbraw/zinc/44/59/65/1102445965.db2.gz ROSONAHJJIHEGD-UHFFFAOYSA-N 0 0 313.364 3.486 20 10 DGCDRN Cn1c(=O)cc(-c2cnccc2Br)c2ccccc21 ZINC001243057991 1102503111 /nfs/dbraw/zinc/50/31/11/1102503111.db2.gz YRFWQTLSYDEJPJ-UHFFFAOYSA-N 0 0 315.170 3.363 20 10 DGCDRN O=c1cc(-c2cc(Br)cnc2F)ccn1CC1CC1 ZINC001243080913 1102512441 /nfs/dbraw/zinc/51/24/41/1102512441.db2.gz JSQZLFMEEHXBEG-UHFFFAOYSA-N 0 0 323.165 3.222 20 10 DGCDRN CSc1ccc(NC(=S)NCc2ccc(F)cn2)cc1 ZINC001201190004 1102513295 /nfs/dbraw/zinc/51/32/95/1102513295.db2.gz ZYKLWLMODLMMDA-UHFFFAOYSA-N 0 0 307.419 3.429 20 10 DGCDRN CC(C)Nc1ccc(Nc2ccc(N3CCNC(=O)C3)cc2)cc1 ZINC001201497366 1102612001 /nfs/dbraw/zinc/61/20/01/1102612001.db2.gz FZXNPISCKACDBR-UHFFFAOYSA-N 0 0 324.428 3.187 20 10 DGCDRN CC(C)Nc1ccc(Nc2cc(S(C)(=O)=O)ccc2N)cc1 ZINC001201499855 1102614408 /nfs/dbraw/zinc/61/44/08/1102614408.db2.gz QUMUFUPGHLNADC-UHFFFAOYSA-N 0 0 319.430 3.236 20 10 DGCDRN CC(C)Nc1ccc(Nc2cc(S(C)(=O)=O)ccc2O)cc1 ZINC001201498721 1102614781 /nfs/dbraw/zinc/61/47/81/1102614781.db2.gz DKFXSEHWMPVDJY-UHFFFAOYSA-N 0 0 320.414 3.360 20 10 DGCDRN CO[C@H]1CC=C(c2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC001243815042 1102990202 /nfs/dbraw/zinc/99/02/02/1102990202.db2.gz JQOCZVYUJDLRGB-AWEZNQCLSA-N 0 0 309.356 3.384 20 10 DGCDRN O=c1cc(-c2cc(C3CC3)cnc2F)ccn1CC(F)(F)F ZINC001243873574 1103024365 /nfs/dbraw/zinc/02/43/65/1103024365.db2.gz HFEJVOQCCDICKF-UHFFFAOYSA-N 0 0 312.266 3.489 20 10 DGCDRN Cc1conc1NC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001325655258 1103094361 /nfs/dbraw/zinc/09/43/61/1103094361.db2.gz JFAQTBSQUCZNMG-ZDUSSCGKSA-N 0 0 316.405 3.110 20 10 DGCDRN CC(C)n1ncc2c1[C@@H](NC(=O)Nc1ccc(N)cc1)CCC2 ZINC001326087885 1103203485 /nfs/dbraw/zinc/20/34/85/1103203485.db2.gz FLRVDFJSGQNXRF-HNNXBMFYSA-N 0 0 313.405 3.245 20 10 DGCDRN Cc1nc2c(ccn2C)c(-c2cc(OC(F)(F)F)ccc2N)n1 ZINC001244181447 1103262373 /nfs/dbraw/zinc/26/23/73/1103262373.db2.gz ILSVIAPUNLDALP-UHFFFAOYSA-N 0 0 322.290 3.425 20 10 DGCDRN Cc1cc(N(C)C)ccc1C1=CCN(C(=O)C(F)(F)F)CC1 ZINC001244225916 1103293763 /nfs/dbraw/zinc/29/37/63/1103293763.db2.gz SPSXAFWXUDOKIA-UHFFFAOYSA-N 0 0 312.335 3.239 20 10 DGCDRN O=C(Cc1ccccc1)NCc1cc(Br)ccc1O ZINC001326456880 1103322812 /nfs/dbraw/zinc/32/28/12/1103322812.db2.gz IAQYXYVFIQNLCT-UHFFFAOYSA-N 0 0 320.186 3.014 20 10 DGCDRN O=c1cc(-c2cnccc2C2CC2)ccn1Cc1cccnc1 ZINC001244286079 1103333801 /nfs/dbraw/zinc/33/38/01/1103333801.db2.gz WAAGKPKOWVCQIB-UHFFFAOYSA-N 0 0 303.365 3.231 20 10 DGCDRN CN(c1ccc(N)cc1)c1cc(F)c(N2CCOCC2)c(F)c1 ZINC001212923556 1103360185 /nfs/dbraw/zinc/36/01/85/1103360185.db2.gz XHSIVBZXDQDVMI-UHFFFAOYSA-N 0 0 319.355 3.152 20 10 DGCDRN O=C(NCc1ccccc1O)c1ccc(Cn2cccc2)cc1 ZINC001326711838 1103414480 /nfs/dbraw/zinc/41/44/80/1103414480.db2.gz PRJFXIHIYSORFT-UHFFFAOYSA-N 0 0 306.365 3.172 20 10 DGCDRN COc1ccc(F)c(NCc2ccc(N3CCCC3)cc2)n1 ZINC001327181659 1103572174 /nfs/dbraw/zinc/57/21/74/1103572174.db2.gz GGOWEGUSYZEAIV-UHFFFAOYSA-N 0 0 301.365 3.442 20 10 DGCDRN CN1Cc2c(cccc2NCc2ccc(N3CCCC3)cc2)C1=O ZINC001327391795 1103634755 /nfs/dbraw/zinc/63/47/55/1103634755.db2.gz AAOXXUXJTQFCRU-UHFFFAOYSA-N 0 0 321.424 3.485 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC001327604978 1103691843 /nfs/dbraw/zinc/69/18/43/1103691843.db2.gz DNZKWLQKSOGEOI-ZFWZSOMGSA-N 0 0 312.316 3.385 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](C)CC(F)F ZINC001328134227 1103855533 /nfs/dbraw/zinc/85/55/33/1103855533.db2.gz JGHHDMFGNZZESA-LLVKDONJSA-N 0 0 313.392 3.152 20 10 DGCDRN CN(C)c1ccc(C2=CCS(=O)(=O)CC2)c2ccccc21 ZINC001245207967 1103913321 /nfs/dbraw/zinc/91/33/21/1103913321.db2.gz CJDAWIZDULMJEO-UHFFFAOYSA-N 0 0 301.411 3.108 20 10 DGCDRN C[C@]1(c2ccccc2)C[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001137066877 1103949947 /nfs/dbraw/zinc/94/99/47/1103949947.db2.gz GQJRRUQRIFCIFI-MAUKXSAKSA-N 0 0 322.368 3.309 20 10 DGCDRN Cc1cc(CC(=O)N2CC[C@]23CCOC3)c(C)n1-c1ccccc1 ZINC001328746631 1104050478 /nfs/dbraw/zinc/05/04/78/1104050478.db2.gz VZKKIXNGLPOFBO-HXUWFJFHSA-N 0 0 324.424 3.028 20 10 DGCDRN C[C@@H](NC(=S)N1CCc2cccc(O)c2C1)c1ccccc1 ZINC001245510205 1104094073 /nfs/dbraw/zinc/09/40/73/1104094073.db2.gz QBDVRVDDZBIKEL-CYBMUJFWSA-N 0 0 312.438 3.386 20 10 DGCDRN Nc1ncc(-c2ncnc3c2ccn3Cc2ccccc2)cc1F ZINC001245517508 1104098963 /nfs/dbraw/zinc/09/89/63/1104098963.db2.gz ZSEHCFDKPXBKIR-UHFFFAOYSA-N 0 0 319.343 3.263 20 10 DGCDRN O=C(NCCCSc1nccs1)N[C@@H]1CCC[C@H](F)C1 ZINC001329253959 1104200899 /nfs/dbraw/zinc/20/08/99/1104200899.db2.gz QDKIZMKPASCYHK-WDEREUQCSA-N 0 0 317.455 3.205 20 10 DGCDRN C[C@@H](CC(=O)Nc1c2nonc2ccc1Cl)n1cccc1 ZINC001329517742 1104294485 /nfs/dbraw/zinc/29/44/85/1104294485.db2.gz GAEYSSXJKCLZND-VIFPVBQESA-N 0 0 304.737 3.268 20 10 DGCDRN O=C(NCc1c(O)cccc1F)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001245988102 1104347881 /nfs/dbraw/zinc/34/78/81/1104347881.db2.gz NWQRQMZRXCLPKL-SWLSCSKDSA-N 0 0 318.323 3.026 20 10 DGCDRN Cc1nc(CSCC(=O)N[C@H](C)c2ccccc2O)cs1 ZINC001329882213 1104408305 /nfs/dbraw/zinc/40/83/05/1104408305.db2.gz UEEIWGCLTDFDEW-SNVBAGLBSA-N 0 0 322.455 3.268 20 10 DGCDRN CCOc1ccc(N2CC[C@]3(CCN([C@@H](C)CC)C3=O)C2)cc1 ZINC001274790497 1104490017 /nfs/dbraw/zinc/49/00/17/1104490017.db2.gz JHYZHEULYBUXOE-KXBFYZLASA-N 0 0 316.445 3.313 20 10 DGCDRN CCOc1ccc(N2CCC[C@]23CCN([C@@H](C)CC)C3=O)cc1 ZINC001274789968 1104490128 /nfs/dbraw/zinc/49/01/28/1104490128.db2.gz FINJZTFIUWTVHJ-HNAYVOBHSA-N 0 0 316.445 3.455 20 10 DGCDRN CC[C@@H](C)NC(=O)[C@H]1CC12CCN(c1ccc(OC)cc1)CC2 ZINC001274790845 1104490546 /nfs/dbraw/zinc/49/05/46/1104490546.db2.gz MGOWSNBJESOIPF-RHSMWYFYSA-N 0 0 316.445 3.216 20 10 DGCDRN CCCCNC(=O)[C@H]1CC12CCN(c1ccc(OC)cc1)CC2 ZINC001274791491 1104491778 /nfs/dbraw/zinc/49/17/78/1104491778.db2.gz TWYBRRVNGBKJSL-QGZVFWFLSA-N 0 0 316.445 3.218 20 10 DGCDRN COc1ccc(N2CC[C@]3(CCN(C4CCCC4)C3=O)C2)cc1 ZINC001274791331 1104492194 /nfs/dbraw/zinc/49/21/94/1104492194.db2.gz SSZAWEJFQJGRGA-IBGZPJMESA-N 0 0 314.429 3.067 20 10 DGCDRN CCCCN1CC[C@]2(CCCN2c2ccc(OC)cc2C)C1=O ZINC001274873797 1104526199 /nfs/dbraw/zinc/52/61/99/1104526199.db2.gz BYGYDFOWJSWBAX-LJQANCHMSA-N 0 0 316.445 3.375 20 10 DGCDRN CC[C@@H](C)N1CC[C@@]2(CCN(c3ccc(OC)cc3C)C2)C1=O ZINC001274875372 1104527801 /nfs/dbraw/zinc/52/78/01/1104527801.db2.gz SZVQFUPJLMSHJW-DNVCBOLYSA-N 0 0 316.445 3.231 20 10 DGCDRN Cc1cc(O)c(CN2CCO[C@@]3(CCSC3)C2)cc1Cl ZINC001330818305 1104653806 /nfs/dbraw/zinc/65/38/06/1104653806.db2.gz OHUCOUNLKZGUKY-HNNXBMFYSA-N 0 0 313.850 3.062 20 10 DGCDRN [O-]c1cc(F)cc(F)c1CN1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001275306495 1104716081 /nfs/dbraw/zinc/71/60/81/1104716081.db2.gz KPNZOOGTVCKPQH-UHFFFAOYSA-N 0 0 322.399 3.121 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2noc(Cc3cn[nH]c3)n2)cc1 ZINC001247101551 1104800753 /nfs/dbraw/zinc/80/07/53/1104800753.db2.gz ZIRFVPHWAYCCNR-UHFFFAOYSA-N 0 0 319.368 3.458 20 10 DGCDRN Cc1cc(-c2noc(Cc3ccc(O)c(O)c3)n2)ccc1F ZINC001247959824 1105021361 /nfs/dbraw/zinc/02/13/61/1105021361.db2.gz ZSHQKPUXADCYLU-UHFFFAOYSA-N 0 0 300.289 3.186 20 10 DGCDRN Cc1cc(F)c(F)c(-c2noc(Cc3ccc(O)c(O)c3)n2)c1 ZINC001247958866 1105021528 /nfs/dbraw/zinc/02/15/28/1105021528.db2.gz GPKWXGGGFKKMGJ-UHFFFAOYSA-N 0 0 318.279 3.325 20 10 DGCDRN Oc1ccc(Cc2nc(-c3cc(F)c(F)c(F)c3)no2)cc1O ZINC001247959457 1105021834 /nfs/dbraw/zinc/02/18/34/1105021834.db2.gz QGCOZDXDCJUHBX-UHFFFAOYSA-N 0 0 322.242 3.156 20 10 DGCDRN Cc1ccc(-c2noc(Cc3ccc(N)cc3)n2)c(F)c1F ZINC001248183426 1105062625 /nfs/dbraw/zinc/06/26/25/1105062625.db2.gz GZWFIGMUWNPHJS-UHFFFAOYSA-N 0 0 301.296 3.496 20 10 DGCDRN Nc1ccc(Cc2nc(-c3cccc4cnccc43)no2)cc1 ZINC001248184447 1105062639 /nfs/dbraw/zinc/06/26/39/1105062639.db2.gz VHFUBXPPYZHJPY-UHFFFAOYSA-N 0 0 302.337 3.458 20 10 DGCDRN Oc1ccc(CCc2nc(-c3ccccc3F)no2)cc1O ZINC001248983308 1105209171 /nfs/dbraw/zinc/20/91/71/1105209171.db2.gz CENAKLCJADGRHQ-UHFFFAOYSA-N 0 0 300.289 3.072 20 10 DGCDRN Cc1oc(Br)nc1CN(C)Cc1ccccc1O ZINC001249390159 1105278845 /nfs/dbraw/zinc/27/88/45/1105278845.db2.gz FSXRULNEIPRNNJ-UHFFFAOYSA-N 0 0 311.179 3.083 20 10 DGCDRN COc1ccc(C)cc1NC(=S)NCc1ccccc1O ZINC001249676483 1105351510 /nfs/dbraw/zinc/35/15/10/1105351510.db2.gz HYOCLKWPVBDVPA-UHFFFAOYSA-N 0 0 302.399 3.196 20 10 DGCDRN Oc1ccccc1CNC(=S)NCCc1ccc(Cl)cc1 ZINC001249767255 1105377054 /nfs/dbraw/zinc/37/70/54/1105377054.db2.gz FLTBKMJVWMZNHF-UHFFFAOYSA-N 0 0 320.845 3.252 20 10 DGCDRN CC[C@@H](C)[C@@H](O)CNC(=O)c1sccc1-n1c(C)ccc1C ZINC001137355930 1105497012 /nfs/dbraw/zinc/49/70/12/1105497012.db2.gz TXHSLEMSWXLWLA-ABAIWWIYSA-N 0 0 320.458 3.292 20 10 DGCDRN O=C(NCc1ccccc1O)c1cc(-c2ccccc2)ccn1 ZINC001137471232 1105527561 /nfs/dbraw/zinc/52/75/61/1105527561.db2.gz BKWXNKIUCLTZSE-UHFFFAOYSA-N 0 0 304.349 3.384 20 10 DGCDRN Cc1cccc2[nH]c(-c3ccc(N4CCC(O)CC4)cc3)nc21 ZINC001250858038 1105594960 /nfs/dbraw/zinc/59/49/60/1105594960.db2.gz OKUNLHHNQAWTQN-UHFFFAOYSA-N 0 0 307.397 3.499 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NOC/C=C/Cl ZINC001251657556 1105677919 /nfs/dbraw/zinc/67/79/19/1105677919.db2.gz LJXHFNZSIROYNP-RUDMXATFSA-N 0 0 323.824 3.112 20 10 DGCDRN CCCC[C@@H](O)C[NH2+]Cc1cc(Cl)c2cccnc2c1[O-] ZINC001252112456 1105741720 /nfs/dbraw/zinc/74/17/20/1105741720.db2.gz OAVGFSAKKBFMNS-GFCCVEGCSA-N 0 0 308.809 3.235 20 10 DGCDRN CCC[C@H](O)CNc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001252771887 1105828841 /nfs/dbraw/zinc/82/88/41/1105828841.db2.gz WIBPRXGRHYUUID-ZDUSSCGKSA-N 0 0 309.365 3.035 20 10 DGCDRN CCCC[C@@H](CC)COC[C@@H](O)CNc1cccc(O)c1O ZINC001253017929 1105877511 /nfs/dbraw/zinc/87/75/11/1105877511.db2.gz ZEXKYAPBXVXUKN-KGLIPLIRSA-N 0 0 311.422 3.104 20 10 DGCDRN Cc1cc(O)cc(C)c1NS(=O)(=O)/C=C/c1ccccc1 ZINC001253042800 1105881892 /nfs/dbraw/zinc/88/18/92/1105881892.db2.gz SGJYNBCAKBLSCW-CMDGGOBGSA-N 0 0 303.383 3.422 20 10 DGCDRN COc1cc(-c2nnc(-c3cccc(Cl)c3)o2)cc(O)c1O ZINC001253806511 1105988915 /nfs/dbraw/zinc/98/89/15/1105988915.db2.gz GRQPBXHVJFSKCX-UHFFFAOYSA-N 0 0 318.716 3.477 20 10 DGCDRN CCCCS(=O)(=O)Nc1cccc2c1C(=O)c1ccccc1-2 ZINC001253863744 1105997617 /nfs/dbraw/zinc/99/76/17/1105997617.db2.gz DMHKDHGNEHCODF-UHFFFAOYSA-N 0 0 315.394 3.440 20 10 DGCDRN Nc1ccc(CCn2cc(-c3cc(F)c(F)c(F)c3)nn2)cc1 ZINC001254081123 1106015425 /nfs/dbraw/zinc/01/54/25/1106015425.db2.gz MEGBTDZMYOVCKL-UHFFFAOYSA-N 0 0 318.302 3.187 20 10 DGCDRN Nc1ccc(CCn2cc(-c3cccc4cnccc43)nn2)cc1 ZINC001254080939 1106015640 /nfs/dbraw/zinc/01/56/40/1106015640.db2.gz CULAAVFHAKFXCW-UHFFFAOYSA-N 0 0 315.380 3.318 20 10 DGCDRN Oc1cc(-c2nnc([C@H]3C[C@H]3c3ccccc3)o2)cc(O)c1O ZINC001254512030 1106086586 /nfs/dbraw/zinc/08/65/86/1106086586.db2.gz FHOUBSCHXSXEDJ-RYUDHWBXSA-N 0 0 310.309 3.125 20 10 DGCDRN CCc1ccc(S(=O)(=O)Nc2c(C)cc(O)cc2C)cc1 ZINC001255081066 1106174379 /nfs/dbraw/zinc/17/43/79/1106174379.db2.gz KTYFZSCIFMRASL-UHFFFAOYSA-N 0 0 305.399 3.372 20 10 DGCDRN Cc1nn(C)cc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256935149 1106513770 /nfs/dbraw/zinc/51/37/70/1106513770.db2.gz DXZTZGILJZYGNI-UHFFFAOYSA-N 0 0 305.341 3.236 20 10 DGCDRN O=C(CCc1nnc(-c2ccc(-n3cccc3)cc2)o1)C1CC1 ZINC001256935357 1106514029 /nfs/dbraw/zinc/51/40/29/1106514029.db2.gz JFLJUOGTFKNSQI-UHFFFAOYSA-N 0 0 307.353 3.439 20 10 DGCDRN Cc1ccc([C@H]2C[C@H]2c2nnc(-c3cc(O)c(O)c(O)c3)o2)cc1 ZINC001257209502 1106552017 /nfs/dbraw/zinc/55/20/17/1106552017.db2.gz LBHOSPOSLKLPQM-CHWSQXEVSA-N 0 0 324.336 3.433 20 10 DGCDRN CC[C@H]([NH2+]Cc1c(C)c(C)n[nH]c1=O)c1cccc(Cl)c1[O-] ZINC001258391611 1106728135 /nfs/dbraw/zinc/72/81/35/1106728135.db2.gz LQVZPLATFKNZSM-AWEZNQCLSA-N 0 0 321.808 3.399 20 10 DGCDRN CCOc1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC001320521303 1107040968 /nfs/dbraw/zinc/04/09/68/1107040968.db2.gz IHJOBXDXGWHKFH-CYBMUJFWSA-N 0 0 313.401 3.037 20 10 DGCDRN Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(N(C)C)c1 ZINC001258926900 1107060285 /nfs/dbraw/zinc/06/02/85/1107060285.db2.gz OUUZPRASVHDOBN-UHFFFAOYSA-N 0 0 308.378 3.001 20 10 DGCDRN Cc1ccc(S(=O)(=O)Nc2c(F)cc(O)cc2F)c(C)c1 ZINC001259101385 1107078745 /nfs/dbraw/zinc/07/87/45/1107078745.db2.gz AMVOUBPVKMJFPN-UHFFFAOYSA-N 0 0 313.325 3.088 20 10 DGCDRN Cc1ccc(S(=O)(=O)NCc2c(C)cc(C)cc2O)c(C)c1 ZINC001259105475 1107080420 /nfs/dbraw/zinc/08/04/20/1107080420.db2.gz XFVSPVYBIGEVQG-UHFFFAOYSA-N 0 0 319.426 3.104 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)[C@H]3C[C@@H]3C(C)C)CC2)cc1 ZINC001320679170 1107102230 /nfs/dbraw/zinc/10/22/30/1107102230.db2.gz IECDUWFJFDUDQR-MSOLQXFVSA-N 0 0 316.445 3.026 20 10 DGCDRN Cc1cc(NS(=O)(=O)Cc2ccc(F)cc2)c(C)cc1O ZINC001259252260 1107106017 /nfs/dbraw/zinc/10/60/17/1107106017.db2.gz PRLGTDKUHGIECT-UHFFFAOYSA-N 0 0 309.362 3.090 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1cc(Cl)sc1Cl ZINC001299571146 1107114929 /nfs/dbraw/zinc/11/49/29/1107114929.db2.gz RHGFMFUHFSMDFG-UHFFFAOYSA-N 0 0 318.181 3.396 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2nccc(Cl)c2F)c1 ZINC001320798671 1107143168 /nfs/dbraw/zinc/14/31/68/1107143168.db2.gz RAOJNHHNIGJMMV-QMMMGPOBSA-N 0 0 324.739 3.079 20 10 DGCDRN CCN(Cc1ccccc1O)S(=O)(=O)c1ccc(C)c(F)c1 ZINC001259478595 1107147199 /nfs/dbraw/zinc/14/71/99/1107147199.db2.gz VUXLIGCHWFZYBH-UHFFFAOYSA-N 0 0 323.389 3.051 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCc1cccc(C(F)F)c1 ZINC001320833798 1107156633 /nfs/dbraw/zinc/15/66/33/1107156633.db2.gz SWCRQZDQXMMRHN-ALCCZGGFSA-N 0 0 319.307 3.365 20 10 DGCDRN Cc1cc(C)cc(S(=O)(=O)Nc2c(C)cc(O)cc2C)c1 ZINC001259524290 1107159708 /nfs/dbraw/zinc/15/97/08/1107159708.db2.gz KQQIBWIIXJPYLV-UHFFFAOYSA-N 0 0 305.399 3.427 20 10 DGCDRN CCc1nc(CC(=O)Nc2c3nonc3ccc2Cl)cs1 ZINC001320978627 1107212152 /nfs/dbraw/zinc/21/21/52/1107212152.db2.gz PVGIDIYNPCRRJG-UHFFFAOYSA-N 0 0 322.777 3.076 20 10 DGCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2ccc(C)nc2C)c1 ZINC001321036628 1107230048 /nfs/dbraw/zinc/23/00/48/1107230048.db2.gz BIBRQJYIWMHZBT-NSHDSACASA-N 0 0 300.358 3.364 20 10 DGCDRN C[C@H](NC(=O)c1ncc(Cl)s1)c1ccc(N(C)C)cc1 ZINC001321062422 1107236870 /nfs/dbraw/zinc/23/68/70/1107236870.db2.gz WDEDUHCZVZPHRA-VIFPVBQESA-N 0 0 309.822 3.354 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1c[nH]c(C2CC2)n1 ZINC001321280844 1107311807 /nfs/dbraw/zinc/31/18/07/1107311807.db2.gz HPDWKXMPXNFMAF-UHFFFAOYSA-N 0 0 313.401 3.435 20 10 DGCDRN Cc1cc(S(=O)(=O)Nc2cccc(N(C)C)c2)ccc1F ZINC001260760682 1107314226 /nfs/dbraw/zinc/31/42/26/1107314226.db2.gz ZHZQYPXEMQHBPU-UHFFFAOYSA-N 0 0 308.378 3.001 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)c1cccnc1C1CC1 ZINC001299723951 1107330090 /nfs/dbraw/zinc/33/00/90/1107330090.db2.gz AKEYHLBVTXNBFS-UHFFFAOYSA-N 0 0 319.364 3.143 20 10 DGCDRN O=C1CC2(CC2)CN1CN1CCCc2cc(OC(F)F)ccc21 ZINC001261363357 1107416575 /nfs/dbraw/zinc/41/65/75/1107416575.db2.gz BRDWQDAUHHLUBQ-UHFFFAOYSA-N 0 0 322.355 3.011 20 10 DGCDRN Cc1cc(C)c(C(=O)NCc2cccc(Br)c2O)[nH]1 ZINC001321990042 1107479498 /nfs/dbraw/zinc/47/94/98/1107479498.db2.gz OJDLQOBMPRQIBI-UHFFFAOYSA-N 0 0 323.190 3.030 20 10 DGCDRN CC(=O)COC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl ZINC001317726204 1107625353 /nfs/dbraw/zinc/62/53/53/1107625353.db2.gz MFMAWROTLVUVOU-UHFFFAOYSA-N 0 0 305.761 3.493 20 10 DGCDRN CC(C)c1cc(NC(=O)NCc2cccc(Cl)c2O)no1 ZINC001262272305 1107665304 /nfs/dbraw/zinc/66/53/04/1107665304.db2.gz RCKXANFMEWXGBI-UHFFFAOYSA-N 0 0 309.753 3.479 20 10 DGCDRN CNC(=O)c1ccc(NCc2ccc(N(C)C)c(F)c2)c(C)c1 ZINC001323297571 1107922322 /nfs/dbraw/zinc/92/23/22/1107922322.db2.gz IOEIBJIVTGVIQA-UHFFFAOYSA-N 0 0 315.392 3.172 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@H]1CNc2ccccc21 ZINC001263101675 1107944770 /nfs/dbraw/zinc/94/47/70/1107944770.db2.gz YYIGNIUHLBXDDV-INIZCTEOSA-N 0 0 323.440 3.277 20 10 DGCDRN CC(C)(C)OC(=O)N1CCN(c2ccc(OC3CC3)cc2)CC1 ZINC000382676293 1108158966 /nfs/dbraw/zinc/15/89/66/1108158966.db2.gz SETBKSMVCGXODH-UHFFFAOYSA-N 0 0 318.417 3.285 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)C[C@H](C)C3CC3)CC2)cc1 ZINC001324627422 1108384489 /nfs/dbraw/zinc/38/44/89/1108384489.db2.gz RSUSSZRETVRGOX-HNNXBMFYSA-N 0 0 316.445 3.170 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC/C=C\C1CC1 ZINC001324696285 1108429707 /nfs/dbraw/zinc/42/97/07/1108429707.db2.gz QYCCBDYDVAISJY-WAYWQWQTSA-N 0 0 301.434 3.250 20 10 DGCDRN CC(C)C(=O)Nc1cccc(NCc2ccc(O)c(O)c2)c1 ZINC000387277981 1108458686 /nfs/dbraw/zinc/45/86/86/1108458686.db2.gz XZBXLVDCWUJFPE-UHFFFAOYSA-N 0 0 300.358 3.304 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)[C@H](C)C(C)(C)C)CC2)cc1 ZINC001319624518 1108561039 /nfs/dbraw/zinc/56/10/39/1108561039.db2.gz NOBRAEOKCOVGNH-HNNXBMFYSA-N 0 0 318.461 3.416 20 10 DGCDRN Cc1ccc(C(=O)N(C)Cc2cc3ccccc3[nH]2)c(O)c1O ZINC001325077750 1108574006 /nfs/dbraw/zinc/57/40/06/1108574006.db2.gz RVRCDMWNHZTHSI-UHFFFAOYSA-N 0 0 310.353 3.160 20 10 DGCDRN C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC001325357004 1108631168 /nfs/dbraw/zinc/63/11/68/1108631168.db2.gz NGSWMWPVZHEFOO-NXEZZACHSA-N 0 0 315.360 3.441 20 10 DGCDRN CCn1c(C(=O)NCCc2ccc(O)c(O)c2)cc2ccccc21 ZINC001319874589 1108673923 /nfs/dbraw/zinc/67/39/23/1108673923.db2.gz PTRNJBMUFLQRPY-UHFFFAOYSA-N 0 0 324.380 3.045 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1nccc2occc21 ZINC001265094450 1108731025 /nfs/dbraw/zinc/73/10/25/1108731025.db2.gz XQMOUCVJOYTVAZ-UHFFFAOYSA-N 0 0 309.369 3.132 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)CSCc1cccs1 ZINC000701182374 1108902298 /nfs/dbraw/zinc/90/22/98/1108902298.db2.gz IKCXMVYCAYXYHO-UHFFFAOYSA-N 0 0 307.440 3.346 20 10 DGCDRN C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1cccnc1 ZINC001290219903 1110238300 /nfs/dbraw/zinc/23/83/00/1110238300.db2.gz PJNKJKOKAASWDN-VIFPVBQESA-N 0 0 314.366 3.199 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2onc3ccccc32)cc1 ZINC001290289941 1110241264 /nfs/dbraw/zinc/24/12/64/1110241264.db2.gz ICGTZJGOIGWJDB-UHFFFAOYSA-N 0 0 309.369 3.166 20 10 DGCDRN C[C@H]1C[C@H]1n1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1O ZINC001291038518 1110265627 /nfs/dbraw/zinc/26/56/27/1110265627.db2.gz PWUWKFFXARUOOX-SWLSCSKDSA-N 0 0 323.400 3.196 20 10 DGCDRN O=C(NCc1ccnc(-c2ccccc2)c1)C1=CC(=O)CS1 ZINC001302045720 1111105724 /nfs/dbraw/zinc/10/57/24/1111105724.db2.gz JLANBDUYKQAEPI-UHFFFAOYSA-N 0 0 310.378 3.446 20 10 DGCDRN C[C@@H](NC(=O)c1cnccc1C(F)(F)F)c1ccccc1O ZINC001302532729 1111117441 /nfs/dbraw/zinc/11/74/41/1111117441.db2.gz QBKVLDWBQUUCLM-SECBINFHSA-N 0 0 310.275 3.297 20 10 DGCDRN C[C@H](NC(=O)c1ccc(-c2ccco2)[nH]c1=O)c1ccccc1O ZINC001302532562 1111117459 /nfs/dbraw/zinc/11/74/59/1111117459.db2.gz JCOQISRXXMXZFX-NSHDSACASA-N 0 0 324.336 3.244 20 10 DGCDRN Cc1oc2ccccc2c1CC(=O)NCc1cccc(O)c1O ZINC001303194947 1111136899 /nfs/dbraw/zinc/13/68/99/1111136899.db2.gz NAZVLTAZCYXPQA-UHFFFAOYSA-N 0 0 311.337 3.011 20 10 DGCDRN Cc1[nH]c2ccccc2c1CC(=O)NCc1c(O)cccc1F ZINC001303877829 1111156837 /nfs/dbraw/zinc/15/68/37/1111156837.db2.gz JAULDVLKDXQOHV-UHFFFAOYSA-N 0 0 312.344 3.180 20 10 DGCDRN CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NCc1c(O)cccc1O ZINC001304053465 1111164109 /nfs/dbraw/zinc/16/41/09/1111164109.db2.gz LOBGSPHTZKWDKV-XNJGSVPQSA-N 0 0 321.417 3.088 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1CCc2ccccc2O1 ZINC001305085393 1111193114 /nfs/dbraw/zinc/19/31/14/1111193114.db2.gz XNLBHYBOSNSSKU-HNNXBMFYSA-N 0 0 317.772 3.056 20 10 DGCDRN CCCCc1cc(N[C@@H](C)Cc2ccc(O)c(O)c2)ncn1 ZINC001307091940 1111264144 /nfs/dbraw/zinc/26/41/44/1111264144.db2.gz LBNFHPPTUWQELJ-LBPRGKRZSA-N 0 0 301.390 3.274 20 10 DGCDRN CCOC(=O)c1cnc(SCc2nc3ccccc3[nH]2)s1 ZINC001307137308 1111269953 /nfs/dbraw/zinc/26/99/53/1111269953.db2.gz HNDJXCSORPFPEJ-UHFFFAOYSA-N 0 0 319.411 3.488 20 10 DGCDRN CCc1cc(N2Cc3cccc(O)c3C2)nc(-c2ccncc2)n1 ZINC001307192708 1111277815 /nfs/dbraw/zinc/27/78/15/1111277815.db2.gz DCLDLXGVOYUUQG-UHFFFAOYSA-N 0 0 318.380 3.327 20 10 DGCDRN COC(=O)c1cnc(SCc2cn3c(cccc3C)n2)s1 ZINC001307348679 1111291266 /nfs/dbraw/zinc/29/12/66/1111291266.db2.gz ZREXKNDSSYRJOR-UHFFFAOYSA-N 0 0 319.411 3.178 20 10 DGCDRN Clc1cnc(SCc2nnnn2-c2ccccc2)s1 ZINC001307377560 1111293588 /nfs/dbraw/zinc/29/35/88/1111293588.db2.gz QUMJHMCVPGIUKT-UHFFFAOYSA-N 0 0 309.807 3.065 20 10 DGCDRN COc1ccc(N(CCc2ccccc2)Cc2cnnn2C)cc1 ZINC001307554978 1111313334 /nfs/dbraw/zinc/31/33/34/1111313334.db2.gz CCNVJDVSFVLSGO-UHFFFAOYSA-N 0 0 322.412 3.073 20 10 DGCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2CCc1cnn(C)c1 ZINC001307863495 1111348069 /nfs/dbraw/zinc/34/80/69/1111348069.db2.gz GXXLEARWBOTBIE-QGZVFWFLSA-N 0 0 313.445 3.306 20 10 DGCDRN CC[C@H](NC/C=C/c1ccc(N(C)C)cc1)c1noc(C)n1 ZINC001308304413 1111414412 /nfs/dbraw/zinc/41/44/12/1111414412.db2.gz ZCTAFRWEYIPFPK-MOEXGYKKSA-N 0 0 300.406 3.198 20 10 DGCDRN CC(C)C[C@@H](NCc1ccc2c(c1)CCO2)C(=O)OC(C)(C)C ZINC001308327658 1111417120 /nfs/dbraw/zinc/41/71/20/1111417120.db2.gz SDGRSFHOJVTNRY-MRXNPFEDSA-N 0 0 319.445 3.468 20 10 DGCDRN CCC(CC)[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCO1 ZINC001308351910 1111420221 /nfs/dbraw/zinc/42/02/21/1111420221.db2.gz ABSDOULWHPOBRW-PBHICJAKSA-N 0 0 322.405 3.374 20 10 DGCDRN COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(-c3cc[nH]n3)o2)c1 ZINC001308449750 1111430340 /nfs/dbraw/zinc/43/03/40/1111430340.db2.gz AXZICBQALXYJMT-NSHDSACASA-N 0 0 313.357 3.235 20 10 DGCDRN C[C@H]1COCCN1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001308774525 1111473154 /nfs/dbraw/zinc/47/31/54/1111473154.db2.gz JCUAWQCLYRZCBN-KRWDZBQOSA-N 0 0 322.452 3.470 20 10 DGCDRN CC1(C)CO[C@H](CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001308937659 1111496605 /nfs/dbraw/zinc/49/66/05/1111496605.db2.gz UXBDJKIGTCSTAO-LLVKDONJSA-N 0 0 301.789 3.480 20 10 DGCDRN Cc1cc(NC(=O)N[C@@H](C)c2ccccc2O)cc2n[nH]cc21 ZINC001310444213 1111560256 /nfs/dbraw/zinc/56/02/56/1111560256.db2.gz KYPJJVAXSPRRQP-NSHDSACASA-N 0 0 310.357 3.460 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)Nc1ccc(Cl)cn1 ZINC001310582404 1111565123 /nfs/dbraw/zinc/56/51/23/1111565123.db2.gz XRRSKZPZCJTMJL-UHFFFAOYSA-N 0 0 312.156 3.416 20 10 DGCDRN CN(C)c1cc(F)cc(NC(=O)N2Cc3cccc(O)c3C2)c1 ZINC001310966665 1111577075 /nfs/dbraw/zinc/57/70/75/1111577075.db2.gz HFOLVWSHEWBEFY-UHFFFAOYSA-N 0 0 315.348 3.145 20 10 DGCDRN CC(C)n1cc(Cl)c(NC(=O)N2Cc3cccc(O)c3C2)n1 ZINC001311205693 1111590345 /nfs/dbraw/zinc/59/03/45/1111590345.db2.gz RSHWECWMVXZZKQ-UHFFFAOYSA-N 0 0 320.780 3.371 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@H](C)C1CC1 ZINC001311690003 1111614071 /nfs/dbraw/zinc/61/40/71/1111614071.db2.gz QGZNBVQZPHVJFA-GJZGRUSLSA-N 0 0 317.477 3.337 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)N[C@H]1C[C@H]1c1ccccc1 ZINC001312615304 1111662609 /nfs/dbraw/zinc/66/26/09/1111662609.db2.gz HRELDZYNYVIQPH-ZFWWWQNUSA-N 0 0 316.788 3.401 20 10 DGCDRN Cc1cc(C(=O)NC[C@H](C)C[C@@H](C)O)c(C)n1-c1ccccc1 ZINC000077052686 185079303 /nfs/dbraw/zinc/07/93/03/185079303.db2.gz QZAFUAREDIVTFO-UKRRQHHQSA-N 0 0 314.429 3.231 20 10 DGCDRN CC[N@H+](Cc1cnn(C)c1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000092437921 185318422 /nfs/dbraw/zinc/31/84/22/185318422.db2.gz HCSRKLQIKGHCII-UHFFFAOYSA-N 0 0 314.216 3.455 20 10 DGCDRN CCc1noc(C)c1C(=O)NCc1c(C)c2ccccc2n1C ZINC000348701352 529769913 /nfs/dbraw/zinc/76/99/13/529769913.db2.gz QMYRGJCQETUFSN-UHFFFAOYSA-N 0 0 311.385 3.276 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc2cc[nH]c21 ZINC000173187987 529786256 /nfs/dbraw/zinc/78/62/56/529786256.db2.gz QFIFFXMFQMHXFM-UHFFFAOYSA-N 0 0 321.380 3.273 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(F)cc1F ZINC000173206199 282296319 /nfs/dbraw/zinc/29/63/19/282296319.db2.gz VFQTVLSLKHFMTD-UHFFFAOYSA-N 0 0 318.323 3.070 20 10 DGCDRN CCCN(C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108444352 185513377 /nfs/dbraw/zinc/51/33/77/185513377.db2.gz KLDCHZFAPRGDCQ-UHFFFAOYSA-N 0 0 303.450 3.474 20 10 DGCDRN O=C(/C=C/c1cncc(F)c1)N(Cc1ccco1)c1ccccn1 ZINC000105368015 432018410 /nfs/dbraw/zinc/01/84/10/432018410.db2.gz YVRGRXUMFUHLSZ-VOTSOKGWSA-N 0 0 323.327 3.455 20 10 DGCDRN CCCCN1C(=O)C2(CCCCC2)N[C@H]1c1cccc(O)c1O ZINC000266214911 282794216 /nfs/dbraw/zinc/79/42/16/282794216.db2.gz OHLGMMZJYMQGTG-MRXNPFEDSA-N 0 0 318.417 3.031 20 10 DGCDRN Cc1cc(Cl)ncc1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000132809658 432053688 /nfs/dbraw/zinc/05/36/88/432053688.db2.gz SEJCSAKJWQFMLR-UHFFFAOYSA-N 0 0 318.808 3.431 20 10 DGCDRN CCO[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc(N)cc2)C1(CC)CC ZINC000236866977 202043699 /nfs/dbraw/zinc/04/36/99/202043699.db2.gz NMHLFMAKSYVNIQ-IAGOWNOFSA-N 0 0 318.461 3.254 20 10 DGCDRN Cc1ccc(C(=O)N2CC[C@H](Cc3ccccc3)C2)c(O)c1O ZINC000179515010 432061294 /nfs/dbraw/zinc/06/12/94/432061294.db2.gz YCMCCLNWXSSRHF-OAHLLOKOSA-N 0 0 311.381 3.111 20 10 DGCDRN C[C@H]([NH2+]C1CCN(C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000184897617 299271737 /nfs/dbraw/zinc/27/17/37/299271737.db2.gz LASSWPWYBXYFJT-VIFPVBQESA-N 0 0 303.233 3.444 20 10 DGCDRN CC(=O)c1cc(F)cc(CN(C)[C@@H](C)c2ccccn2)c1O ZINC000091701813 193093782 /nfs/dbraw/zinc/09/37/82/193093782.db2.gz WLALYMNPRNDYIK-NSHDSACASA-N 0 0 302.349 3.322 20 10 DGCDRN COc1cc(OC)c(CN(C)Cc2ccccc2O)c(OC)c1 ZINC000091974507 193134868 /nfs/dbraw/zinc/13/48/68/193134868.db2.gz JEFDLGWHQAQJOO-UHFFFAOYSA-N 0 0 317.385 3.050 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(C)(C)OC(C)C ZINC000451312430 241076508 /nfs/dbraw/zinc/07/65/08/241076508.db2.gz JQOABJLKXMPFKE-UHFFFAOYSA-N 0 0 302.418 3.307 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1ccnc(C)c1 ZINC000454877441 242053437 /nfs/dbraw/zinc/05/34/37/242053437.db2.gz QSJARWUJAAXAGQ-UHFFFAOYSA-N 0 0 322.412 3.190 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccc(F)c(F)c1[O-] ZINC000276997211 299384055 /nfs/dbraw/zinc/38/40/55/299384055.db2.gz YRAWUODMFQJFGU-TVQRCGJNSA-N 0 0 307.344 3.132 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1ccc(F)c(F)c1[O-] ZINC000191183575 296128313 /nfs/dbraw/zinc/12/83/13/296128313.db2.gz ACXLZIHDMWEBJO-MFKMUULPSA-N 0 0 310.344 3.217 20 10 DGCDRN COC1(C(=O)NCc2c(C)c3ccccc3n2C)CCCCC1 ZINC000471231811 244210026 /nfs/dbraw/zinc/21/00/26/244210026.db2.gz NKDWFPRHZHPYNF-UHFFFAOYSA-N 0 0 314.429 3.452 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1ncccc1C ZINC000471822753 244254346 /nfs/dbraw/zinc/25/43/46/244254346.db2.gz BOZNOUULCYLFNJ-UHFFFAOYSA-N 0 0 322.412 3.190 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])c1nncn1C ZINC000278664978 296149645 /nfs/dbraw/zinc/14/96/45/296149645.db2.gz IXRGPURGAWVBAL-JGVFFNPUSA-N 0 0 315.204 3.239 20 10 DGCDRN O=C(/C=C\c1cnccn1)N(CC(F)F)c1cccc(Cl)c1 ZINC000492081781 245627535 /nfs/dbraw/zinc/62/75/35/245627535.db2.gz CLJAZIVOONFPRM-PLNGDYQASA-N 0 0 323.730 3.442 20 10 DGCDRN Cc1ncsc1/C=C\C(=O)N1CCOCc2ccccc21 ZINC000492763173 245788454 /nfs/dbraw/zinc/78/84/54/245788454.db2.gz NTRIWPRUSFHNJA-SREVYHEPSA-N 0 0 300.383 3.028 20 10 DGCDRN CCCN(C(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000171425562 432133104 /nfs/dbraw/zinc/13/31/04/432133104.db2.gz RMYNBDNMAYXSDH-UHFFFAOYSA-N 0 0 301.434 3.371 20 10 DGCDRN COc1cccc(CNC(=O)C[C@@H](C)c2ccccc2F)c1O ZINC000105650646 194118224 /nfs/dbraw/zinc/11/82/24/194118224.db2.gz MNRAFAGENQNHQN-GFCCVEGCSA-N 0 0 317.360 3.350 20 10 DGCDRN COCCC1(C(=O)NCc2c(C)c3ccccc3n2C)CCC1 ZINC000348707972 533185000 /nfs/dbraw/zinc/18/50/00/533185000.db2.gz VHYMPOWBZMLDPT-UHFFFAOYSA-N 0 0 314.429 3.310 20 10 DGCDRN C[C@@H](C1CC1)N(C(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000073915570 184942338 /nfs/dbraw/zinc/94/23/38/184942338.db2.gz XOAIOODNMOVVNI-LBPRGKRZSA-N 0 0 319.424 3.364 20 10 DGCDRN C[C@@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1ccc(F)cc1[O-] ZINC000185313834 533392098 /nfs/dbraw/zinc/39/20/98/533392098.db2.gz OPUOZQOBXKWVCI-LLVKDONJSA-N 0 0 312.385 3.049 20 10 DGCDRN COc1cccc(C(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000348661947 533410493 /nfs/dbraw/zinc/41/04/93/533410493.db2.gz APORNXGOJKQZBO-UHFFFAOYSA-N 0 0 308.381 3.425 20 10 DGCDRN C[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185639450 533425684 /nfs/dbraw/zinc/42/56/84/533425684.db2.gz TWYFLIYVLBGTQU-OQPBUACISA-N 0 0 322.257 3.218 20 10 DGCDRN CSC1(CNC(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000350064415 533498270 /nfs/dbraw/zinc/49/82/70/533498270.db2.gz APTXGSDSTLFEOX-UHFFFAOYSA-N 0 0 317.458 3.182 20 10 DGCDRN COc1cc(C[N@H+](C)Cc2cccc(F)c2[O-])cc(OC)c1 ZINC000272247732 130012230 /nfs/dbraw/zinc/01/22/30/130012230.db2.gz HTKGHGXDPAWTJN-UHFFFAOYSA-N 0 0 305.349 3.181 20 10 DGCDRN CCOc1cccc(C[NH2+][C@@]2(C)CCCC[C@H]2C(=O)OC)c1O ZINC000272370594 130024921 /nfs/dbraw/zinc/02/49/21/130024921.db2.gz BNWFXNZRIGWSIQ-KSSFIOAISA-N 0 0 321.417 3.002 20 10 DGCDRN COc1ccc(OC)c(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000273400663 130117492 /nfs/dbraw/zinc/11/74/92/130117492.db2.gz MXKDTQXIKFVJSM-NSHDSACASA-N 0 0 305.349 3.399 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(Cl)nc2)c1 ZINC000273435605 130120231 /nfs/dbraw/zinc/12/02/31/130120231.db2.gz WVMQXAIFLNPQFK-SNVBAGLBSA-N 0 0 320.776 3.078 20 10 DGCDRN COCCOCCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000273431108 130120390 /nfs/dbraw/zinc/12/03/90/130120390.db2.gz VRPSTTMTSNRZHM-JTQLQIEISA-N 0 0 322.232 3.403 20 10 DGCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2ccc(N(C)C)cc2)c1 ZINC000273456964 130123861 /nfs/dbraw/zinc/12/38/61/130123861.db2.gz PTSSWTVRCNJUCF-LBPRGKRZSA-N 0 0 314.385 3.418 20 10 DGCDRN C[C@@H](N[C@@H](CO)c1c(F)cccc1F)c1ccc(F)cc1O ZINC000273512989 130130790 /nfs/dbraw/zinc/13/07/90/130130790.db2.gz RZNLSGQAPVHSGM-OTYXRUKQSA-N 0 0 311.303 3.194 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC2CC(F)(F)C2)cc1 ZINC000277048009 130575079 /nfs/dbraw/zinc/57/50/79/130575079.db2.gz PXOLNJBLJCRVKR-UHFFFAOYSA-N 0 0 311.376 3.130 20 10 DGCDRN Cc1cc(C(=O)NC2CC(F)(F)C2)c(C)n1-c1ccccn1 ZINC000277578491 130624768 /nfs/dbraw/zinc/62/47/68/130624768.db2.gz OGPZAJZWNZBODI-UHFFFAOYSA-N 0 0 305.328 3.017 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)c1ccccc1 ZINC000279390254 130746178 /nfs/dbraw/zinc/74/61/78/130746178.db2.gz AOBXUJFXNXEGIU-UHFFFAOYSA-N 0 0 324.424 3.373 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cn(C(C)C)cn1 ZINC000281504968 130867384 /nfs/dbraw/zinc/86/73/84/130867384.db2.gz GZSQQONQOWBPCW-UHFFFAOYSA-N 0 0 314.433 3.192 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)[C@@H]1CCOC1 ZINC000283549346 131002922 /nfs/dbraw/zinc/00/29/22/131002922.db2.gz DTSJVWSMZZDFMZ-GOEBONIOSA-N 0 0 320.433 3.129 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCC(=O)c3ccccc32)cc1 ZINC000284505194 131087648 /nfs/dbraw/zinc/08/76/48/131087648.db2.gz MHGRKIPUNDKYKA-SFHVURJKSA-N 0 0 322.408 3.129 20 10 DGCDRN CC[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(F)cc1[O-] ZINC000285567170 131181076 /nfs/dbraw/zinc/18/10/76/131181076.db2.gz HOUOTQZCAQXLOC-HNNXBMFYSA-N 0 0 309.381 3.258 20 10 DGCDRN CC[C@@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccc(F)cc1[O-] ZINC000285580823 131183505 /nfs/dbraw/zinc/18/35/05/131183505.db2.gz INCZLCLZKULTMT-CQSZACIVSA-N 0 0 318.396 3.090 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C1CCC1)C1CCC1 ZINC000285896622 131207999 /nfs/dbraw/zinc/20/79/99/131207999.db2.gz UQFXTCXSDUMJOY-GFCCVEGCSA-N 0 0 317.429 3.361 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000286002645 131215039 /nfs/dbraw/zinc/21/50/39/131215039.db2.gz HPUCNSFUTCHBLS-NVXWUHKLSA-N 0 0 321.367 3.315 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc(F)cc1[O-] ZINC000286299433 131228981 /nfs/dbraw/zinc/22/89/81/131228981.db2.gz WPLBYIHJPAHRTI-RHSMWYFYSA-N 0 0 303.377 3.348 20 10 DGCDRN CC(C)SCCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000286806495 131250601 /nfs/dbraw/zinc/25/06/01/131250601.db2.gz ZFGWVQDBJNXOFR-UHFFFAOYSA-N 0 0 321.490 3.228 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000286869526 131253488 /nfs/dbraw/zinc/25/34/88/131253488.db2.gz YRSKWIKSGHZKMT-BZUAXINKSA-N 0 0 317.429 3.363 20 10 DGCDRN COCC(C)(C)CCCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000287066023 131262460 /nfs/dbraw/zinc/26/24/60/131262460.db2.gz UJOHSFGZZBIUCZ-UHFFFAOYSA-N 0 0 321.465 3.005 20 10 DGCDRN C[C@@H](N[C@H](C)C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000287360783 131277317 /nfs/dbraw/zinc/27/73/17/131277317.db2.gz OAEGRMVDMICFRB-GHMZBOCLSA-N 0 0 320.330 3.264 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2CCCSC2)cc1 ZINC000288066677 131311384 /nfs/dbraw/zinc/31/13/84/131311384.db2.gz SZLUFBXLESISRR-HNNXBMFYSA-N 0 0 321.490 3.037 20 10 DGCDRN COCCN(Cc1cccnc1)Cc1c(O)cccc1Cl ZINC000289405781 131383511 /nfs/dbraw/zinc/38/35/11/131383511.db2.gz HCSLIKFKWTUDQH-UHFFFAOYSA-N 0 0 306.793 3.089 20 10 DGCDRN CCOc1ccc(O)c(CN2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000289567827 131397181 /nfs/dbraw/zinc/39/71/81/131397181.db2.gz SFSUZGSQTBHARX-INIZCTEOSA-N 0 0 301.390 3.241 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NOC/C=C/Cl ZINC000291076286 131541305 /nfs/dbraw/zinc/54/13/05/131541305.db2.gz NOFFDPKCWAJEKB-RMKNXTFCSA-N 0 0 312.797 3.388 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1occc1C ZINC000291798851 131601140 /nfs/dbraw/zinc/60/11/40/131601140.db2.gz PLZAKLCDSZYECU-UHFFFAOYSA-N 0 0 315.417 3.386 20 10 DGCDRN Cc1nc(C(C)C)oc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000292204216 131632816 /nfs/dbraw/zinc/63/28/16/131632816.db2.gz IRNCBOWMILRZNJ-UHFFFAOYSA-N 0 0 315.417 3.445 20 10 DGCDRN Cc1c(N[C@H](C)c2ccccc2O)cnn1C1CCOCC1 ZINC000296633473 131977877 /nfs/dbraw/zinc/97/78/77/131977877.db2.gz BODHGGUUWSSXND-GFCCVEGCSA-N 0 0 301.390 3.422 20 10 DGCDRN CC[C@@H](C)n1ncc(C(=O)NCc2ccc(N)cc2)c1C1CC1 ZINC000296818489 131988035 /nfs/dbraw/zinc/98/80/35/131988035.db2.gz AKJHEGUROZQILN-GFCCVEGCSA-N 0 0 312.417 3.244 20 10 DGCDRN C[C@@H](CC(=O)NCc1ccc(N)cc1)Cc1cccc(F)c1 ZINC000297225929 132004762 /nfs/dbraw/zinc/00/47/62/132004762.db2.gz OIUKVSVTTFVNOL-CYBMUJFWSA-N 0 0 300.377 3.293 20 10 DGCDRN CCCCOCCCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000298673296 132072977 /nfs/dbraw/zinc/07/29/77/132072977.db2.gz UPJYQHXTAFIVGU-UHFFFAOYSA-N 0 0 321.465 3.101 20 10 DGCDRN Cc1ccc(C(=O)CCC(=O)N(C)Cc2ccccc2O)cc1 ZINC000298779304 132077480 /nfs/dbraw/zinc/07/74/80/132077480.db2.gz HTICNYWTJWVTOF-UHFFFAOYSA-N 0 0 311.381 3.322 20 10 DGCDRN CCN(Cc1occc1C(=O)OC)c1ccc(OC)c(OC)c1 ZINC000299281925 132096636 /nfs/dbraw/zinc/09/66/36/132096636.db2.gz OOSLYRVEDDJTRN-UHFFFAOYSA-N 0 0 319.357 3.110 20 10 DGCDRN CC(C)Oc1ccc(CNC(=O)NCc2ccccc2O)cc1 ZINC000299495968 132108072 /nfs/dbraw/zinc/10/80/72/132108072.db2.gz KSRVATUARMFFOZ-UHFFFAOYSA-N 0 0 314.385 3.179 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCCn3nccc32)cc1 ZINC000299507656 132108959 /nfs/dbraw/zinc/10/89/59/132108959.db2.gz NCAAMNMMFVCNRA-UHFFFAOYSA-N 0 0 320.396 3.341 20 10 DGCDRN CC(=O)c1ccc(NCc2ccc(N(C)C)cc2)c([N+](=O)[O-])c1 ZINC000007366183 400104006 /nfs/dbraw/zinc/10/40/06/400104006.db2.gz ZCITZZPSYCAJJL-UHFFFAOYSA-N 0 0 313.357 3.476 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1 ZINC000025962217 400248724 /nfs/dbraw/zinc/24/87/24/400248724.db2.gz FXIPZQBBMXWZHT-MSOLQXFVSA-N 0 0 312.388 3.312 20 10 DGCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1nc2ccccc2o1 ZINC000029397203 400307448 /nfs/dbraw/zinc/30/74/48/400307448.db2.gz LPSXQPNXOLGCIG-UHFFFAOYSA-N 0 0 323.396 3.301 20 10 DGCDRN CC(C)CCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000042905741 400446151 /nfs/dbraw/zinc/44/61/51/400446151.db2.gz ISNSAYQFFGJDQS-INIZCTEOSA-N 0 0 320.433 3.129 20 10 DGCDRN C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccn1 ZINC000045560310 400528427 /nfs/dbraw/zinc/52/84/27/400528427.db2.gz JFVSZUDNIGMSFL-CQSZACIVSA-N 0 0 312.417 3.050 20 10 DGCDRN CCN(CC)c1ccc(CNc2cc(C)nc(COC)n2)cc1 ZINC000075046935 400554002 /nfs/dbraw/zinc/55/40/02/400554002.db2.gz ITXUFIIWGHXYPA-UHFFFAOYSA-N 0 0 314.433 3.390 20 10 DGCDRN O=[N+]([O-])c1ccc(N2CC=C(c3c[nH]c4ncccc34)CC2)cn1 ZINC000075667396 400601485 /nfs/dbraw/zinc/60/14/85/400601485.db2.gz HSJXWKUBNXAUKO-UHFFFAOYSA-N 0 0 321.340 3.160 20 10 DGCDRN C[C@@H](Sc1nccs1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000052913874 400754648 /nfs/dbraw/zinc/75/46/48/400754648.db2.gz XVTBTZJOLVIPSV-SECBINFHSA-N 0 0 322.411 3.034 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cn2ccccc2n1 ZINC000053661768 400794779 /nfs/dbraw/zinc/79/47/79/400794779.db2.gz ADFZTXLPSGSQFS-UHFFFAOYSA-N 0 0 322.412 3.063 20 10 DGCDRN COC1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC000053887378 400800836 /nfs/dbraw/zinc/80/08/36/400800836.db2.gz CBYYBNUTGRYTSX-UHFFFAOYSA-N 0 0 312.413 3.345 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCCCOC ZINC000057649500 401015987 /nfs/dbraw/zinc/01/59/87/401015987.db2.gz WJQMHBHPSSCGPT-UHFFFAOYSA-N 0 0 321.465 3.101 20 10 DGCDRN COc1ccc(N2CCC(Nc3ncccc3F)CC2)cc1 ZINC000084485702 401142913 /nfs/dbraw/zinc/14/29/13/401142913.db2.gz CQZSSHBARMKEPW-UHFFFAOYSA-N 0 0 301.365 3.310 20 10 DGCDRN C[C@@H](Nc1ncccc1F)c1ccc(N2CCOCC2)cc1 ZINC000084484955 401143670 /nfs/dbraw/zinc/14/36/70/401143670.db2.gz CTNLAFPUDQPOFR-CYBMUJFWSA-N 0 0 301.365 3.230 20 10 DGCDRN C#CCCOc1ccc(/C=C2\SC(=S)N(CC)C2=O)cc1 ZINC000063274615 401186664 /nfs/dbraw/zinc/18/66/64/401186664.db2.gz CGSHRJFEQVQHLU-KAMYIIQDSA-N 0 0 317.435 3.310 20 10 DGCDRN CC[C@@H](OC)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000065841612 401281332 /nfs/dbraw/zinc/28/13/32/401281332.db2.gz CMULLNHKXJAQQQ-QGZVFWFLSA-N 0 0 304.434 3.060 20 10 DGCDRN Cc1nc(-c2cccnc2)nc(N(C)Cc2ccccc2O)c1C ZINC000089635645 401232831 /nfs/dbraw/zinc/23/28/31/401232831.db2.gz ITTYSQMOFSSSNM-UHFFFAOYSA-N 0 0 320.396 3.497 20 10 DGCDRN COCC1(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCC1 ZINC000284487563 292209092 /nfs/dbraw/zinc/20/90/92/292209092.db2.gz ZJNWFEAJUHRNSX-UHFFFAOYSA-N 0 0 316.445 3.060 20 10 DGCDRN Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000172490744 432216036 /nfs/dbraw/zinc/21/60/36/432216036.db2.gz FHKWCGSRLTUVFL-OAHLLOKOSA-N 0 0 313.397 3.130 20 10 DGCDRN Nc1ccc(CCNC(=O)[C@H]2CCCc3sccc32)cc1 ZINC000168236004 228266403 /nfs/dbraw/zinc/26/64/03/228266403.db2.gz VYPGSRXLKKOQJL-HNNXBMFYSA-N 0 0 300.427 3.109 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1COc2ccccc21 ZINC000172013126 228274006 /nfs/dbraw/zinc/27/40/06/228274006.db2.gz DTDKULDJMRARJO-GOSISDBHSA-N 0 0 322.408 3.079 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccncc1F ZINC000184148504 228382137 /nfs/dbraw/zinc/38/21/37/228382137.db2.gz LRLRFZAARCJKSV-UHFFFAOYSA-N 0 0 315.348 3.127 20 10 DGCDRN Cc1cc(Br)cnc1N(C)Cc1ccccc1O ZINC000302674976 228900839 /nfs/dbraw/zinc/90/08/39/228900839.db2.gz UAOCHVOQRAKNDD-UHFFFAOYSA-N 0 0 307.191 3.495 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)CC[C@@H]1CC[C@@H](C)O1 ZINC000348657006 229204821 /nfs/dbraw/zinc/20/48/21/229204821.db2.gz BGKCSFZFJLYPHV-HIFRSBDPSA-N 0 0 314.429 3.451 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccn(C(C)C)n1 ZINC000348657078 229205317 /nfs/dbraw/zinc/20/53/17/229205317.db2.gz BNIDTKHXNHRLES-UHFFFAOYSA-N 0 0 310.401 3.194 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)COCc1ccccc1 ZINC000348697267 229206282 /nfs/dbraw/zinc/20/62/82/229206282.db2.gz IFMGNTZIHFWUDC-UHFFFAOYSA-N 0 0 322.408 3.320 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1noc2c1CCCC2 ZINC000348702675 229206604 /nfs/dbraw/zinc/20/66/04/229206604.db2.gz ACWSIZDHGFXCTE-UHFFFAOYSA-N 0 0 323.396 3.284 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cc1ccccc1O ZINC000352112695 229243762 /nfs/dbraw/zinc/24/37/62/229243762.db2.gz VYPRSINMNAANJX-UHFFFAOYSA-N 0 0 308.381 3.051 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cccc2[nH]cnc21 ZINC000352121837 229243843 /nfs/dbraw/zinc/24/38/43/229243843.db2.gz RRWSLGUYWINORO-UHFFFAOYSA-N 0 0 318.380 3.293 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)C(F)(F)F ZINC000355638213 229314110 /nfs/dbraw/zinc/31/41/10/229314110.db2.gz MRILTXRQICYBEP-JTQLQIEISA-N 0 0 313.323 3.237 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@H](C2CC2)C1 ZINC000362397845 229430151 /nfs/dbraw/zinc/43/01/51/229430151.db2.gz URGYHSJGCAAANN-KRWDZBQOSA-N 0 0 311.429 3.004 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000374541763 229566803 /nfs/dbraw/zinc/56/68/03/229566803.db2.gz QCKCWHQTLRBJFZ-NSHDSACASA-N 0 0 312.200 3.069 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)C1CCOCC1 ZINC000151356113 432239998 /nfs/dbraw/zinc/23/99/98/432239998.db2.gz YMAHCHQTYIMWDD-CQSZACIVSA-N 0 0 320.433 3.129 20 10 DGCDRN COc1cc(N(C)Cc2ncc(C3CC3)o2)cc(OC)c1OC ZINC000270473388 432249798 /nfs/dbraw/zinc/24/97/98/432249798.db2.gz BPQPQCMOHFLUSB-UHFFFAOYSA-N 0 0 318.373 3.214 20 10 DGCDRN CC1(C)C[C@H](NC(=O)Cc2ccc(N)cc2)c2ccccc2O1 ZINC000236759129 276146414 /nfs/dbraw/zinc/14/64/14/276146414.db2.gz XWHNYCQKGXISBC-INIZCTEOSA-N 0 0 310.397 3.230 20 10 DGCDRN CC[C@H]([NH2+][C@@H](CCO)COC)c1cc(Cl)cc(Cl)c1[O-] ZINC000287281808 288063345 /nfs/dbraw/zinc/06/33/45/288063345.db2.gz BMOZJFBDIMEDOU-GWCFXTLKSA-N 0 0 322.232 3.137 20 10 DGCDRN CC[C@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1cccc(Cl)c1[O-] ZINC000287643177 288091436 /nfs/dbraw/zinc/09/14/36/288091436.db2.gz KYHFFAYWNOVYQD-FZMZJTMJSA-N 0 0 320.824 3.001 20 10 DGCDRN CN1CCCc2cc(CNC(=O)CC[C@@H]3CCCCO3)ccc21 ZINC000110259181 431185835 /nfs/dbraw/zinc/18/58/35/431185835.db2.gz FQCICYYXIPECHC-KRWDZBQOSA-N 0 0 316.445 3.035 20 10 DGCDRN COc1ccc(N2CCN(c3cccc(Cl)n3)CC2)cc1 ZINC000110546966 431193560 /nfs/dbraw/zinc/19/35/60/431193560.db2.gz UVPFZRXPNXFJFF-UHFFFAOYSA-N 0 0 303.793 3.070 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)C[C@@H]1OCCc2ccccc21 ZINC000115710030 431470696 /nfs/dbraw/zinc/47/06/96/431470696.db2.gz HZMICLSQISCJON-SFHVURJKSA-N 0 0 311.381 3.055 20 10 DGCDRN CS[C@@H]1CCC[C@H](NC(=O)N(C)Cc2ccccc2O)C1 ZINC000117508153 431564187 /nfs/dbraw/zinc/56/41/87/431564187.db2.gz KJWYQQBESOLTLN-UONOGXRCSA-N 0 0 308.447 3.208 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNc1ccnc2c1cnn2C ZINC000343082190 280269842 /nfs/dbraw/zinc/26/98/42/280269842.db2.gz KLCIWWJSAHOHOZ-UHFFFAOYSA-N 0 0 305.385 3.381 20 10 DGCDRN CC[C@H]1CCC[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000450045129 288227940 /nfs/dbraw/zinc/22/79/40/288227940.db2.gz FTLUHEPAOWFSDP-DZGCQCFKSA-N 0 0 302.418 3.304 20 10 DGCDRN CC[C@H](C)NC(=O)CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000015571554 431610103 /nfs/dbraw/zinc/61/01/03/431610103.db2.gz IAAUUUXFPMFCPE-INIZCTEOSA-N 0 0 317.477 3.023 20 10 DGCDRN Cc1ccc(O)c(CNc2ccccc2CN2CCOCC2)c1 ZINC000120972772 431738228 /nfs/dbraw/zinc/73/82/28/431738228.db2.gz HYHVRYQDFANGHT-UHFFFAOYSA-N 0 0 312.413 3.145 20 10 DGCDRN COc1cccc(CN2C[C@H](C)OC[C@H]2c2ccccc2)c1O ZINC000093660727 431917131 /nfs/dbraw/zinc/91/71/31/431917131.db2.gz OTYIEMASGWWVBW-YOEHRIQHSA-N 0 0 313.397 3.363 20 10 DGCDRN CN(Cc1ccco1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000057662117 431993357 /nfs/dbraw/zinc/99/33/57/431993357.db2.gz GSBZZYWASGGVSH-UHFFFAOYSA-N 0 0 313.401 3.004 20 10 DGCDRN Cn1cc([C@@H]2CSCCN2Cc2cc(Cl)ccc2O)cn1 ZINC000191738002 432296752 /nfs/dbraw/zinc/29/67/52/432296752.db2.gz VHRPJFWXRGEOPB-AWEZNQCLSA-N 0 0 323.849 3.069 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000270869706 432297500 /nfs/dbraw/zinc/29/75/00/432297500.db2.gz JMIDBVGSHZFNFD-HOCLYGCPSA-N 0 0 320.433 3.127 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCc1ccccc1 ZINC000183485931 432297616 /nfs/dbraw/zinc/29/76/16/432297616.db2.gz AOJLXXCDIRAMHO-CQSZACIVSA-N 0 0 313.397 3.168 20 10 DGCDRN COc1ccc2c(c1)CCCCN2Cc1nc([C@@H](C)OC)no1 ZINC000270893381 432300009 /nfs/dbraw/zinc/30/00/09/432300009.db2.gz PMIITSZRMDTARB-GFCCVEGCSA-N 0 0 317.389 3.129 20 10 DGCDRN CN1CCCc2cc(CNC(=O)NCc3cccs3)ccc21 ZINC000058483264 431996646 /nfs/dbraw/zinc/99/66/46/431996646.db2.gz QZTZKXPDXNSUMC-UHFFFAOYSA-N 0 0 315.442 3.130 20 10 DGCDRN CC(=O)CC(C)(C)CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000191798290 432302812 /nfs/dbraw/zinc/30/28/12/432302812.db2.gz GNJGJDSDZGTQMI-UHFFFAOYSA-N 0 0 316.445 3.081 20 10 DGCDRN Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000191431332 432263746 /nfs/dbraw/zinc/26/37/46/432263746.db2.gz JOHVIQRGSGBLSP-CYBMUJFWSA-N 0 0 323.799 3.428 20 10 DGCDRN C[C@H]1CCC[C@H](C(=O)N2CCOc3cc(N(C)C)ccc32)C1 ZINC000173200451 432264232 /nfs/dbraw/zinc/26/42/32/432264232.db2.gz VEPMNRUVGSJKHP-KBPBESRZSA-N 0 0 302.418 3.304 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cnn2ccc(C)cc12 ZINC000271105706 432330313 /nfs/dbraw/zinc/33/03/13/432330313.db2.gz MKMSBQWMNPGOOJ-UHFFFAOYSA-N 0 0 323.396 3.401 20 10 DGCDRN CO[C@](C)(C(=O)N(C)Cc1ccccc1O)c1ccccc1F ZINC000192166330 432338840 /nfs/dbraw/zinc/33/88/40/432338840.db2.gz UKKOKXAKTXCWMU-SFHVURJKSA-N 0 0 317.360 3.052 20 10 DGCDRN c1cc(N2CCCC2)ccc1CNc1cc(N2CCCC2)ncn1 ZINC000192277607 432353278 /nfs/dbraw/zinc/35/32/78/432353278.db2.gz PIRDMQUOSLKAJC-UHFFFAOYSA-N 0 0 323.444 3.289 20 10 DGCDRN CCC[C@H]1C[C@@H](C(=O)NCc2ccc(N(C)C)c(F)c2)CCO1 ZINC000183569782 432305111 /nfs/dbraw/zinc/30/51/11/432305111.db2.gz WHVXZFUHZJQHTL-GJZGRUSLSA-N 0 0 322.424 3.103 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCO[C@@H](CC)C1 ZINC000183580587 432305596 /nfs/dbraw/zinc/30/55/96/432305596.db2.gz VTZORADGTJWKRB-HOCLYGCPSA-N 0 0 305.418 3.336 20 10 DGCDRN C[C@@H]([NH2+]CCn1ccnc1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192604375 432392024 /nfs/dbraw/zinc/39/20/24/432392024.db2.gz BMGOPHQFFCUESA-SECBINFHSA-N 0 0 300.189 3.246 20 10 DGCDRN CCN(C(=O)/C=C\c1cnn(-c2ccccc2)c1)c1ccncc1 ZINC000255006735 432405681 /nfs/dbraw/zinc/40/56/81/432405681.db2.gz WMKQLRQBJPOWNN-HJWRWDBZSA-N 0 0 318.380 3.334 20 10 DGCDRN C[C@@H](Nc1cccc(N2CCNC2=O)c1)c1ccc(N(C)C)cc1 ZINC000271924618 432428777 /nfs/dbraw/zinc/42/87/77/432428777.db2.gz FYRLNIQKCPESTR-CQSZACIVSA-N 0 0 324.428 3.455 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)COC(C)(C)C ZINC000272068597 432438804 /nfs/dbraw/zinc/43/88/04/432438804.db2.gz BTDGFLUQNKSNSY-UHFFFAOYSA-N 0 0 306.450 3.305 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1ccc(F)cc1[O-] ZINC000184984098 432452823 /nfs/dbraw/zinc/45/28/23/432452823.db2.gz PRNGECOXAYHRCP-ZDUSSCGKSA-N 0 0 315.392 3.377 20 10 DGCDRN CCc1nnc([C@@H](C)N[C@@H](C)c2ccc(N(C)CC)cc2)[nH]1 ZINC000271499370 432408983 /nfs/dbraw/zinc/40/89/83/432408983.db2.gz LXAJAVRPURYCRJ-QWHCGFSZSA-N 0 0 301.438 3.235 20 10 DGCDRN Cc1cncc(/C=C\C(=O)N(C[C@H]2CCCO2)c2ccncc2)c1 ZINC000255918219 432414143 /nfs/dbraw/zinc/41/41/43/432414143.db2.gz UZRZEIUSPJHLIF-PYTPGESOSA-N 0 0 323.396 3.010 20 10 DGCDRN CCc1ccnc(C(=O)N(CC)Cc2ccc(N(C)C)cc2)c1 ZINC000271716620 432422327 /nfs/dbraw/zinc/42/23/27/432422327.db2.gz WTAVPBRTSCQEJY-UHFFFAOYSA-N 0 0 311.429 3.372 20 10 DGCDRN CCOC(=O)CC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000271731561 432422790 /nfs/dbraw/zinc/42/27/90/432422790.db2.gz NDCVDJVEZOHBFX-UHFFFAOYSA-N 0 0 311.809 3.211 20 10 DGCDRN C[C@H]1C[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCO1 ZINC000271867858 432425955 /nfs/dbraw/zinc/42/59/55/432425955.db2.gz JTNBEILAZRAWCC-GOEBONIOSA-N 0 0 316.445 3.059 20 10 DGCDRN COc1ccc(O)c(C[NH2+][C@H](C)[C@@H](OC)c2ccc(F)cc2)c1 ZINC000271850135 432426952 /nfs/dbraw/zinc/42/69/52/432426952.db2.gz SWSOWQVVIZJRFY-KZULUSFZSA-N 0 0 319.376 3.406 20 10 DGCDRN CC(C)CC(=O)N1CCC([NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185215002 432477584 /nfs/dbraw/zinc/47/75/84/432477584.db2.gz JGVJGIDMNABFRN-CYBMUJFWSA-N 0 0 322.424 3.219 20 10 DGCDRN CC(=O)Nc1ccc(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000185338039 432493375 /nfs/dbraw/zinc/49/33/75/432493375.db2.gz CSIVZOCMIVJCGM-GFCCVEGCSA-N 0 0 316.376 3.383 20 10 DGCDRN C[C@@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1ccc(F)cc1[O-] ZINC000186165576 432564488 /nfs/dbraw/zinc/56/44/88/432564488.db2.gz RWGBWUAYAHZEGV-KZULUSFZSA-N 0 0 301.361 3.016 20 10 DGCDRN CN(Cc1nccn1C(F)F)Cc1c(O)cccc1Cl ZINC000155005165 432534112 /nfs/dbraw/zinc/53/41/12/432534112.db2.gz FLQHRZIPFAMSLD-UHFFFAOYSA-N 0 0 301.724 3.269 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[N@H+](C[C@H]2CCOC2)C2CC2)c1[O-] ZINC000177027911 432578706 /nfs/dbraw/zinc/57/87/06/432578706.db2.gz JUKULKNPNJHZST-GFCCVEGCSA-N 0 0 323.820 3.249 20 10 DGCDRN COc1ccc(O)c([C@@H](C)Nc2ccc3c(c2)N(C)CCO3)c1 ZINC000186458406 432597233 /nfs/dbraw/zinc/59/72/33/432597233.db2.gz LTGDDRKCUAZTFT-GFCCVEGCSA-N 0 0 314.385 3.403 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)[C@@H](O)c1cccc(F)c1)c1ccc(F)cc1[O-] ZINC000273463330 432603226 /nfs/dbraw/zinc/60/32/26/432603226.db2.gz INHXTKDGCVANLE-PSVSLLHZSA-N 0 0 307.340 3.443 20 10 DGCDRN C[C@@H]([NH2+]CCCOC1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273466114 432603260 /nfs/dbraw/zinc/60/32/60/432603260.db2.gz DTMQZXJZMFUICU-GFCCVEGCSA-N 0 0 308.378 3.300 20 10 DGCDRN CCOCCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000264010827 432603527 /nfs/dbraw/zinc/60/35/27/432603527.db2.gz XGJIDUDJNCYRST-UHFFFAOYSA-N 0 0 304.434 3.062 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000186988646 432641847 /nfs/dbraw/zinc/64/18/47/432641847.db2.gz NHXHVUUFVNTIJK-CQSZACIVSA-N 0 0 301.317 3.214 20 10 DGCDRN CCN(CC)c1ccc(CNCc2ncc(Cl)n2C)cc1 ZINC000264551132 432658332 /nfs/dbraw/zinc/65/83/32/432658332.db2.gz ZWSNQJWFQVUXHA-UHFFFAOYSA-N 0 0 306.841 3.210 20 10 DGCDRN Cc1ncc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000264585182 432660415 /nfs/dbraw/zinc/66/04/15/432660415.db2.gz DTTIDWNSFKMESH-OAHLLOKOSA-N 0 0 318.442 3.338 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CC[C@@H]1CCCCO1 ZINC000264636388 432662606 /nfs/dbraw/zinc/66/26/06/432662606.db2.gz CLUGFMCCSJDDBM-SFHVURJKSA-N 0 0 318.461 3.450 20 10 DGCDRN C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000187720124 432679569 /nfs/dbraw/zinc/67/95/69/432679569.db2.gz YMWMBMGAXJWPAZ-PIGZYNQJSA-N 0 0 307.340 3.229 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000187748084 432681463 /nfs/dbraw/zinc/68/14/63/432681463.db2.gz IPZQRMZOZMTSEF-YPMHNXCESA-N 0 0 307.340 3.097 20 10 DGCDRN CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187806188 432686542 /nfs/dbraw/zinc/68/65/42/432686542.db2.gz GNOBSLMEPCDPTE-JTQLQIEISA-N 0 0 323.387 3.380 20 10 DGCDRN CC(C)[C@@H]1CCCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000265954138 432748750 /nfs/dbraw/zinc/74/87/50/432748750.db2.gz VDCKFFXPGVNQLH-SFHVURJKSA-N 0 0 313.445 3.393 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)[C@@H]2CCOC2)cc1 ZINC000266039727 432750551 /nfs/dbraw/zinc/75/05/51/432750551.db2.gz FWSJTUWDOJIVKJ-DOTOQJQBSA-N 0 0 312.413 3.249 20 10 DGCDRN CCOc1cc(NCc2cc(OC)ccc2O)ccc1OC ZINC000237063592 432776783 /nfs/dbraw/zinc/77/67/83/432776783.db2.gz MWGABYICRBEJSI-UHFFFAOYSA-N 0 0 303.358 3.420 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])[C@H](O)C(F)(F)F ZINC000276912642 432827659 /nfs/dbraw/zinc/82/76/59/432827659.db2.gz LANINZNLCJTYNB-HQLZOWSPSA-N 0 0 313.266 3.023 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)C1Cc2ccccc2C1 ZINC000277122195 432830096 /nfs/dbraw/zinc/83/00/96/432830096.db2.gz AEIKDBVWAROPFC-UHFFFAOYSA-N 0 0 320.436 3.318 20 10 DGCDRN CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278369210 432891755 /nfs/dbraw/zinc/89/17/55/432891755.db2.gz BYUNYPIBLQJQHP-DTWKUNHWSA-N 0 0 319.232 3.216 20 10 DGCDRN CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278369215 432892293 /nfs/dbraw/zinc/89/22/93/432892293.db2.gz BYUNYPIBLQJQHP-RKDXNWHRSA-N 0 0 319.232 3.216 20 10 DGCDRN CN(C)c1ccc(CNCc2nnc(C(C)(C)C)s2)cc1 ZINC000268174030 432852113 /nfs/dbraw/zinc/85/21/13/432852113.db2.gz HBRKOUOPXCJVRT-UHFFFAOYSA-N 0 0 304.463 3.191 20 10 DGCDRN CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2cc(C)c(C)cc2O)[nH]1 ZINC000277469715 432852544 /nfs/dbraw/zinc/85/25/44/432852544.db2.gz RJIOPGFPZOLFKN-GXFFZTMASA-N 0 0 302.422 3.491 20 10 DGCDRN O=C1NCCN1c1cccc(N[C@@H]2CCc3cccc(O)c32)c1 ZINC000296677699 432925331 /nfs/dbraw/zinc/92/53/31/432925331.db2.gz GHAWRJVVTZLJND-OAHLLOKOSA-N 0 0 309.369 3.021 20 10 DGCDRN O=C1NCCN1c1cccc(N[C@H]2CCc3cccc(O)c32)c1 ZINC000296677695 432925467 /nfs/dbraw/zinc/92/54/67/432925467.db2.gz GHAWRJVVTZLJND-HNNXBMFYSA-N 0 0 309.369 3.021 20 10 DGCDRN CCCn1ncnc1CN(c1ccc(OC)c(F)c1)C(C)C ZINC000279141301 432938946 /nfs/dbraw/zinc/93/89/46/432938946.db2.gz YIIYYTDCPHSAOB-UHFFFAOYSA-N 0 0 306.385 3.251 20 10 DGCDRN COc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)c(C)c1 ZINC000278629581 432898610 /nfs/dbraw/zinc/89/86/10/432898610.db2.gz GSTYSFDGKHNWBH-UHFFFAOYSA-N 0 0 318.329 3.238 20 10 DGCDRN C[C@H](N[C@@H](C)c1cc(Cl)c(Cl)cc1O)c1ncn(C)n1 ZINC000278793776 432902076 /nfs/dbraw/zinc/90/20/76/432902076.db2.gz QNPZHNXNXJXAGZ-YUMQZZPRSA-N 0 0 315.204 3.239 20 10 DGCDRN CN1CCCc2cc(CNCc3cc(F)ncc3F)ccc21 ZINC000296404391 432904377 /nfs/dbraw/zinc/90/43/77/432904377.db2.gz LSFHNEAPLXAPQW-UHFFFAOYSA-N 0 0 303.356 3.032 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1[O-] ZINC000296402570 432904500 /nfs/dbraw/zinc/90/45/00/432904500.db2.gz UUSDDFDLEDMGQK-WQVCFCJDSA-N 0 0 323.820 3.151 20 10 DGCDRN COc1c([O-])c(C[NH2+]CCCc2ccccc2)ccc1[N+](=O)[O-] ZINC000278902377 432915572 /nfs/dbraw/zinc/91/55/72/432915572.db2.gz RGWPSONDBKESFJ-UHFFFAOYSA-N 0 0 316.357 3.031 20 10 DGCDRN Cc1noc([C@@H]2CCCCN2Cc2ccc(N(C)C)c(F)c2)n1 ZINC000289800593 432974689 /nfs/dbraw/zinc/97/46/89/432974689.db2.gz MTQJSKGFYFAFFT-INIZCTEOSA-N 0 0 318.396 3.310 20 10 DGCDRN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)Cc2cccc(F)c2)c(O)c1 ZINC000297216064 432976670 /nfs/dbraw/zinc/97/66/70/432976670.db2.gz GZVCBKSSCUFABA-PBHICJAKSA-N 0 0 317.404 3.402 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CCC(=O)[C@H]1C ZINC000279639207 432988873 /nfs/dbraw/zinc/98/88/73/432988873.db2.gz JAZKCDQHRGWHDK-GOEBONIOSA-N 0 0 316.445 3.106 20 10 DGCDRN CC1CCN(c2ccc(CN[C@H]3CCn4ccnc43)cc2)CC1 ZINC000297600964 432998966 /nfs/dbraw/zinc/99/89/66/432998966.db2.gz IAIXWMMELOQLLN-SFHVURJKSA-N 0 0 310.445 3.354 20 10 DGCDRN CN(Cc1cnc(Br)s1)Cc1ccccc1O ZINC000290139372 432999988 /nfs/dbraw/zinc/99/99/88/432999988.db2.gz VQKZMPMEAJJJTE-UHFFFAOYSA-N 0 0 313.220 3.243 20 10 DGCDRN CCOCc1nc([C@H](C)N[C@H](CC)c2ccccc2O)no1 ZINC000290140798 433000130 /nfs/dbraw/zinc/00/01/30/433000130.db2.gz KQIUWMQZFADWPY-WCQYABFASA-N 0 0 305.378 3.114 20 10 DGCDRN CCc1nnc(CN[C@@H](C)c2ccc(N(C)CC)cc2)s1 ZINC000290171007 433005169 /nfs/dbraw/zinc/00/51/69/433005169.db2.gz MRLHAUJXVDQBSL-LBPRGKRZSA-N 0 0 304.463 3.407 20 10 DGCDRN COc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)c1O ZINC000280487454 433060771 /nfs/dbraw/zinc/06/07/71/433060771.db2.gz ONCJRFICLFRQMY-SMDDNHRTSA-N 0 0 313.825 3.180 20 10 DGCDRN C[S@](=O)C1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCC1 ZINC000280618977 433110891 /nfs/dbraw/zinc/11/08/91/433110891.db2.gz KVKTVTMHIPYJSM-IBGZPJMESA-N 0 0 322.257 3.090 20 10 DGCDRN Cn1cc([C@H](NCc2ccc3c(c2)CCO3)c2ccccc2)cn1 ZINC000374644291 433247462 /nfs/dbraw/zinc/24/74/62/433247462.db2.gz GXTFWWHKWPNXHA-HXUWFJFHSA-N 0 0 319.408 3.234 20 10 DGCDRN CCn1ccnc1[C@@H]1CCCCN1Cc1cc(OC)ccc1O ZINC000281188441 433270207 /nfs/dbraw/zinc/27/02/07/433270207.db2.gz RYPFJMXFJBYULA-INIZCTEOSA-N 0 0 315.417 3.344 20 10 DGCDRN CCCN(CCO)C(=O)c1sccc1-n1c(C)ccc1C ZINC000298885975 433271705 /nfs/dbraw/zinc/27/17/05/433271705.db2.gz NGBWGAUUSUQPQQ-UHFFFAOYSA-N 0 0 306.431 3.000 20 10 DGCDRN CCOc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2c2ccnn2C)c1 ZINC000281349524 433288742 /nfs/dbraw/zinc/28/87/42/433288742.db2.gz UACIYINAGSYULX-QGZVFWFLSA-N 0 0 315.417 3.252 20 10 DGCDRN CC(C)Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O ZINC000291639985 433297367 /nfs/dbraw/zinc/29/73/67/433297367.db2.gz TVGBVUULQQPEMU-UHFFFAOYSA-N 0 0 300.406 3.154 20 10 DGCDRN CCOc1cccc(C[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)c1O ZINC000375121015 433367663 /nfs/dbraw/zinc/36/76/63/433367663.db2.gz NBRBFIZCCMVNRR-QZTJIDSGSA-N 0 0 305.418 3.086 20 10 DGCDRN Cc1cnc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)o1 ZINC000291767491 433343197 /nfs/dbraw/zinc/34/31/97/433343197.db2.gz NIHJAXCWQFRNDW-UHFFFAOYSA-N 0 0 313.401 3.149 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCC[C@H](OCC3CC3)C2)c1O ZINC000375320656 433427126 /nfs/dbraw/zinc/42/71/26/433427126.db2.gz RMGBVOSJSIQDRH-INIZCTEOSA-N 0 0 321.392 3.125 20 10 DGCDRN O=C(NCc1ccccc1O)NC[C@H]1CCCCC(F)(F)C1 ZINC000291931888 433398075 /nfs/dbraw/zinc/39/80/75/433398075.db2.gz SKEHSRSZWWBRQM-LBPRGKRZSA-N 0 0 312.360 3.407 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)C3CC(C)(C)C3)CC2)cc1 ZINC000375613494 433507908 /nfs/dbraw/zinc/50/79/08/433507908.db2.gz SGJQLMRXBDDCSU-UHFFFAOYSA-N 0 0 316.445 3.170 20 10 DGCDRN CC(C)c1nsc(NCc2ccc(N3CCOCC3)cc2)n1 ZINC000301449037 433560900 /nfs/dbraw/zinc/56/09/00/433560900.db2.gz RWHUYIWFHPSVIW-UHFFFAOYSA-N 0 0 318.446 3.110 20 10 DGCDRN Clc1cnc(NCc2ccc(N3CCSCC3)cc2)nc1 ZINC000301482717 433573516 /nfs/dbraw/zinc/57/35/16/433573516.db2.gz FSODZJZHEOVUHH-UHFFFAOYSA-N 0 0 320.849 3.295 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cnn(CCC)c1 ZINC000282367017 433580437 /nfs/dbraw/zinc/58/04/37/433580437.db2.gz BUYZUMXIVPWSQD-UHFFFAOYSA-N 0 0 315.417 3.441 20 10 DGCDRN CCCCN(Cc1nnc(C(C)C)[nH]1)Cc1ccccc1O ZINC000292786354 433595700 /nfs/dbraw/zinc/59/57/00/433595700.db2.gz JUTPSYJHNBTJBJ-UHFFFAOYSA-N 0 0 302.422 3.436 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc2nccn2c1 ZINC000282596636 433618118 /nfs/dbraw/zinc/61/81/18/433618118.db2.gz XPAOGYVHLNGZIU-UHFFFAOYSA-N 0 0 323.396 3.482 20 10 DGCDRN CCCc1[nH]ccc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000421779791 433727881 /nfs/dbraw/zinc/72/78/81/433727881.db2.gz ORQHJDFYTFSTHD-UHFFFAOYSA-N 0 0 313.401 3.072 20 10 DGCDRN CCOc1ccc(O)c(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)c1 ZINC000293580026 433792610 /nfs/dbraw/zinc/79/26/10/433792610.db2.gz HRAALBIQYKLWDQ-GOSISDBHSA-N 0 0 317.429 3.182 20 10 DGCDRN COC(=O)c1ccc(NCc2ccc(N(C)C)cc2C)nc1C ZINC000302006520 433806143 /nfs/dbraw/zinc/80/61/43/433806143.db2.gz UGRYEXOHBGBYMH-UHFFFAOYSA-N 0 0 313.401 3.163 20 10 DGCDRN Cc1ccc(C(=O)N2CC(C)(C)[C@H]2c2cccnc2)c(O)c1O ZINC000293898646 433917944 /nfs/dbraw/zinc/91/79/44/433917944.db2.gz RBPAHKXAVPJAGU-MRXNPFEDSA-N 0 0 312.369 3.025 20 10 DGCDRN COc1cc(Cl)cc(CN2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1O ZINC000293933981 433932963 /nfs/dbraw/zinc/93/29/63/433932963.db2.gz HQSWKCFHILWABN-IRXDYDNUSA-N 0 0 323.820 3.198 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC(C2CCCCC2)C1 ZINC000294381971 434109443 /nfs/dbraw/zinc/10/94/43/434109443.db2.gz SCWLJABRXFDDIH-VQHVLOKHSA-N 0 0 301.386 3.150 20 10 DGCDRN Cc1ccc(C(=O)N2Cc3cccc(Cl)c3C2)c(O)c1O ZINC000366155180 434344181 /nfs/dbraw/zinc/34/41/81/434344181.db2.gz GXPMTVKYSQWGFQ-UHFFFAOYSA-N 0 0 303.745 3.216 20 10 DGCDRN Cc1onc(-c2cccnc2)c1C(=O)N(C)c1ccc(C)cn1 ZINC000367373217 434546972 /nfs/dbraw/zinc/54/69/72/434546972.db2.gz WWUVXDCMDQMNCH-UHFFFAOYSA-N 0 0 308.341 3.025 20 10 DGCDRN COc1ccc(O)c(CN2CCSC[C@@H]2c2nccs2)c1 ZINC000186639611 295166306 /nfs/dbraw/zinc/16/63/06/295166306.db2.gz AREZOJDVTZKRLU-CYBMUJFWSA-N 0 0 322.455 3.147 20 10 DGCDRN COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2OCCc3ccccc32)c1 ZINC000371546738 434730143 /nfs/dbraw/zinc/73/01/43/434730143.db2.gz NZKZLFSYQPNCOK-ORAYPTAESA-N 0 0 313.397 3.365 20 10 DGCDRN CCOc1cccc(CN2CCCC[C@H]2c2noc(C)n2)c1O ZINC000372838961 434857512 /nfs/dbraw/zinc/85/75/12/434857512.db2.gz RHUNUIMZAIMUPI-AWEZNQCLSA-N 0 0 317.389 3.210 20 10 DGCDRN Cc1cc(N(C)C(=O)/C=C/c2cnc3ccccc3n2)ccn1 ZINC000492619171 435023715 /nfs/dbraw/zinc/02/37/15/435023715.db2.gz ZWQFSSDKJWAVQA-BQYQJAHWSA-N 0 0 304.353 3.009 20 10 DGCDRN O=C(C=Cc1cncc(F)c1)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000492647049 435030278 /nfs/dbraw/zinc/03/02/78/435030278.db2.gz XAVUPNLKJOZRNV-LLPBQKLSSA-N 0 0 322.339 3.341 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cnc2ccccn21 ZINC000527474619 435011181 /nfs/dbraw/zinc/01/11/81/435011181.db2.gz TVHYXBICIZRWAA-UHFFFAOYSA-N 0 0 318.380 3.064 20 10 DGCDRN CCN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])c1cccnc1C ZINC000492999280 435088531 /nfs/dbraw/zinc/08/85/31/435088531.db2.gz ZYVPERIUBVUTAI-KHPPLWFESA-N 0 0 311.341 3.365 20 10 DGCDRN CO[C@@H]1Cc2ccccc2N(C(=O)/C=C\c2scnc2C)C1 ZINC000492805946 435052979 /nfs/dbraw/zinc/05/29/79/435052979.db2.gz JZGSLEQGAXRZLU-WBTMPAOCSA-N 0 0 314.410 3.069 20 10 DGCDRN O=C(/C=C\c1cncs1)N1CCN(C2CC2)c2ccccc21 ZINC000493230131 435130736 /nfs/dbraw/zinc/13/07/36/435130736.db2.gz KINXUCSTYSFIQJ-FPLPWBNLSA-N 0 0 311.410 3.172 20 10 DGCDRN O=C(/C=C/c1cncs1)N1CCC[C@@H](O)c2cc(F)ccc21 ZINC000493610039 435189316 /nfs/dbraw/zinc/18/93/16/435189316.db2.gz FJOGBPUQRNDKAZ-CSPWOOARSA-N 0 0 318.373 3.156 20 10 DGCDRN CCCC[C@H](NCc1c(C)c2ccccc2n1C)C(=O)OC ZINC000481608017 435434210 /nfs/dbraw/zinc/43/42/10/435434210.db2.gz LCPPMDDKLAQLKG-HNNXBMFYSA-N 0 0 302.418 3.308 20 10 DGCDRN O=C(/C=C\c1cnccn1)N(Cc1cscn1)c1ccccc1 ZINC000491577147 435774942 /nfs/dbraw/zinc/77/49/42/435774942.db2.gz SRGQJFAWMFGGBE-SREVYHEPSA-N 0 0 322.393 3.180 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ncoc1C1CC1 ZINC000556815933 331736057 /nfs/dbraw/zinc/73/60/57/331736057.db2.gz HWWHPXHCOUJZPD-UHFFFAOYSA-N 0 0 309.369 3.282 20 10 DGCDRN Cc1nccn1CCCC[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187734355 333236897 /nfs/dbraw/zinc/23/68/97/333236897.db2.gz PLATVAWEZARABZ-LLVKDONJSA-N 0 0 309.360 3.306 20 10 DGCDRN CC(C)C[C@@H](CCO)C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187742401 333237112 /nfs/dbraw/zinc/23/71/12/333237112.db2.gz RJDVTBMTVBUYDT-VXGBXAGGSA-N 0 0 301.377 3.366 20 10 DGCDRN CSCC1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000295217391 335131115 /nfs/dbraw/zinc/13/11/15/335131115.db2.gz QNZKVFRLBLLZFY-UHFFFAOYSA-N 0 0 310.419 3.312 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000278403383 334096073 /nfs/dbraw/zinc/09/60/73/334096073.db2.gz OPBBWOZGMKOOCK-GWCFXTLKSA-N 0 0 323.742 3.181 20 10 DGCDRN CCCOc1ccc(CN2CCC[C@H]2c2nc(C)no2)c(O)c1 ZINC000289845637 334168369 /nfs/dbraw/zinc/16/83/69/334168369.db2.gz PSARWEPOBPTGOD-HNNXBMFYSA-N 0 0 317.389 3.210 20 10 DGCDRN CCc1nnc(NCc2c(O)ccc3c2CCCC3)nc1CC ZINC000302749800 336367819 /nfs/dbraw/zinc/36/78/19/336367819.db2.gz UAYKCAAHLCAIAL-UHFFFAOYSA-N 0 0 312.417 3.193 20 10 DGCDRN O=C(/C=C/c1cccnc1)N(Cc1ccco1)c1ccccn1 ZINC000192467720 340567160 /nfs/dbraw/zinc/56/71/60/340567160.db2.gz RGSYVZILQKUZEB-CMDGGOBGSA-N 0 0 305.337 3.316 20 10 DGCDRN Cc1cccc(N(C)C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000135243596 341234161 /nfs/dbraw/zinc/23/41/61/341234161.db2.gz GREOVUVAHQLDQP-VQHVLOKHSA-N 0 0 315.304 3.114 20 10 DGCDRN O=C(NCCCC(F)(F)F)NCc1cccc(Cl)c1O ZINC001353372100 1180542544 /nfs/dbraw/zinc/54/25/44/1180542544.db2.gz ZHWKBAFTZHZHNN-UHFFFAOYSA-N 0 0 310.703 3.187 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1c[nH]nc1C(C)C ZINC000352944571 533971067 /nfs/dbraw/zinc/97/10/67/533971067.db2.gz KZUPADODYTXKEO-UHFFFAOYSA-N 0 0 310.401 3.263 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1nc(C(C)(C)C)ns1 ZINC000160308803 534143485 /nfs/dbraw/zinc/14/34/85/534143485.db2.gz UNCMKITWPWBKDQ-SECBINFHSA-N 0 0 307.419 3.290 20 10 DGCDRN COc1ccc(O)c([C@H](C)Nc2ccc(C(F)(F)F)nn2)c1 ZINC000301994081 534205388 /nfs/dbraw/zinc/20/53/88/534205388.db2.gz NWGJUAFVOUAGMU-QMMMGPOBSA-N 0 0 313.279 3.383 20 10 DGCDRN CC(C)c1ccc(OCC(=O)NCCc2ccc(N)cc2)cc1 ZINC000152552753 519837965 /nfs/dbraw/zinc/83/79/65/519837965.db2.gz FIFUFSVMAMGKGU-UHFFFAOYSA-N 0 0 312.413 3.130 20 10 DGCDRN CCCOc1ccc(CN(C)Cc2ncc(Cl)n2C)c(O)c1 ZINC000181144448 520346142 /nfs/dbraw/zinc/34/61/42/520346142.db2.gz LGPWOVXEPTYXQU-UHFFFAOYSA-N 0 0 323.824 3.200 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H](C)CCCOC)cc1F ZINC000182733489 520903482 /nfs/dbraw/zinc/90/34/82/520903482.db2.gz FTZWEYWLQIUMLW-CQSZACIVSA-N 0 0 324.440 3.351 20 10 DGCDRN CC1CCN(c2ccc(CNc3ncnc4nc[nH]c43)cc2)CC1 ZINC000264516411 521039852 /nfs/dbraw/zinc/03/98/52/521039852.db2.gz ZEAYTZHRBGGDTI-UHFFFAOYSA-N 0 0 322.416 3.201 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cnn(C(C)C)c1 ZINC000188358566 521690164 /nfs/dbraw/zinc/69/01/64/521690164.db2.gz OKXBVSXSDWOPOY-UHFFFAOYSA-N 0 0 301.390 3.222 20 10 DGCDRN CCc1ccccc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000190922354 521897499 /nfs/dbraw/zinc/89/74/99/521897499.db2.gz QSGCUYVBHQKJBK-GFCCVEGCSA-N 0 0 314.385 3.413 20 10 DGCDRN COC[C@@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000266009917 522475463 /nfs/dbraw/zinc/47/54/63/522475463.db2.gz OYFFKSMQBZMNMW-MRXNPFEDSA-N 0 0 312.413 3.203 20 10 DGCDRN CC[C@H]1CC[C@H](C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CC1 ZINC000188759471 523194707 /nfs/dbraw/zinc/19/47/07/523194707.db2.gz CLGOUVUPRAJCCA-KCQAQPDRSA-N 0 0 305.418 3.361 20 10 DGCDRN CO[C@@H](C)CCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000182998521 523370377 /nfs/dbraw/zinc/37/03/77/523370377.db2.gz LVVMZBUSMQBANU-INIZCTEOSA-N 0 0 318.461 3.450 20 10 DGCDRN CCn1cnnc1CN[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000158471314 523593608 /nfs/dbraw/zinc/59/36/08/523593608.db2.gz IVGDNVGNDUUTAE-OAHLLOKOSA-N 0 0 313.449 3.139 20 10 DGCDRN CC[C@H](C(=O)NCc1cccc(OC)c1O)c1ccc(F)cc1 ZINC000127506424 523785384 /nfs/dbraw/zinc/78/53/84/523785384.db2.gz SMXFWSXPZGGGCF-HNNXBMFYSA-N 0 0 317.360 3.350 20 10 DGCDRN Cc1cc(C(=O)NCc2[nH]cnc2C)c(C)n1-c1ccccc1C ZINC000267094216 524114647 /nfs/dbraw/zinc/11/46/47/524114647.db2.gz MWDPIYPBDGQOAY-UHFFFAOYSA-N 0 0 322.412 3.364 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)[C@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000266150076 524144076 /nfs/dbraw/zinc/14/40/76/524144076.db2.gz IVTBUDVQCAJTHV-ZBFHGGJFSA-N 0 0 312.413 3.249 20 10 DGCDRN COc1ccc(C[C@H](C)C(=O)N(C)Cc2ccccc2O)cc1 ZINC000129611197 524145059 /nfs/dbraw/zinc/14/50/59/524145059.db2.gz AZGHWHPNUIPGRD-AWEZNQCLSA-N 0 0 313.397 3.238 20 10 DGCDRN Cc1cccc(CN2CCO[C@@H](c3ccccc3F)C2)c1O ZINC000180024304 524403315 /nfs/dbraw/zinc/40/33/15/524403315.db2.gz AWJGLKSZQWXDRX-QGZVFWFLSA-N 0 0 301.361 3.413 20 10 DGCDRN COc1ccc(N2CCN(c3nccc4occc43)CC2)cc1 ZINC000266124231 524439014 /nfs/dbraw/zinc/43/90/14/524439014.db2.gz AZDQCBWQRCFEAP-UHFFFAOYSA-N 0 0 309.369 3.163 20 10 DGCDRN C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000237392925 524724738 /nfs/dbraw/zinc/72/47/38/524724738.db2.gz SISMIKNDQSUXRA-BLVKFPJESA-N 0 0 312.388 3.390 20 10 DGCDRN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Cc1ccc(N)cc1 ZINC000159800257 524825811 /nfs/dbraw/zinc/82/58/11/524825811.db2.gz WMLROQMBRVZIOU-XJKSGUPXSA-N 0 0 312.388 3.355 20 10 DGCDRN C[S@@](=O)C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])c1ccccc1 ZINC000182099748 525368063 /nfs/dbraw/zinc/36/80/63/525368063.db2.gz IJYKAEOPHJBUSM-YCRPNKLZSA-N 0 0 323.845 3.255 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccc(F)c(F)c1[O-] ZINC000191181665 525452708 /nfs/dbraw/zinc/45/27/08/525452708.db2.gz APDJNVCQKIHKQV-VIFPVBQESA-N 0 0 307.296 3.250 20 10 DGCDRN C[C@@H]([NH2+]CC[C@](C)(O)c1ccccc1)c1ccc(F)cc1[O-] ZINC000187927172 525460946 /nfs/dbraw/zinc/46/09/46/525460946.db2.gz BNFNMBDRVCYIMU-ACJLOTCBSA-N 0 0 303.377 3.480 20 10 DGCDRN Cc1ccc(C(=O)N(Cc2cccc(F)c2)C2CC2)c(O)c1O ZINC000181864689 526074899 /nfs/dbraw/zinc/07/48/99/526074899.db2.gz LHHLDAALNLLMJU-UHFFFAOYSA-N 0 0 315.344 3.350 20 10 DGCDRN Cc1ccc(C(=O)Nc2c(C)cc(N(C)C)cc2C)c(O)c1O ZINC000182892817 526216882 /nfs/dbraw/zinc/21/68/82/526216882.db2.gz GLMMDHNEXBGGAX-UHFFFAOYSA-N 0 0 314.385 3.341 20 10 DGCDRN [O-]c1c(Cl)cccc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000158025489 526326118 /nfs/dbraw/zinc/32/61/18/526326118.db2.gz UPMQTVUQKKXRFZ-UHFFFAOYSA-N 0 0 308.853 3.496 20 10 DGCDRN Oc1ccc(F)cc1CN1CCO[C@@H](c2cccc(F)c2)C1 ZINC000180060212 526348315 /nfs/dbraw/zinc/34/83/15/526348315.db2.gz KAVSDPDXIYSZPH-QGZVFWFLSA-N 0 0 305.324 3.244 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1CC=CCC1 ZINC000128030220 526679901 /nfs/dbraw/zinc/67/99/01/526679901.db2.gz SIWCUDOILBKQQG-INIZCTEOSA-N 0 0 311.429 3.218 20 10 DGCDRN O=C(c1ccsc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000264646951 526861677 /nfs/dbraw/zinc/86/16/77/526861677.db2.gz GBPPYDCJFFRKJQ-HNNXBMFYSA-N 0 0 317.410 3.275 20 10 DGCDRN O=S(=O)(C1CC1)N(Cc1ccccc1O)C1CCCCC1 ZINC000158137750 527162562 /nfs/dbraw/zinc/16/25/62/527162562.db2.gz LNPKEOPOLJFUQI-UHFFFAOYSA-N 0 0 309.431 3.019 20 10 DGCDRN CC(C)=CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000360187214 527390339 /nfs/dbraw/zinc/39/03/39/527390339.db2.gz KMTYLBLYUBRPGZ-UHFFFAOYSA-N 0 0 324.371 3.339 20 10 DGCDRN Nc1ccc(CC(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)cc1 ZINC000237903320 527476817 /nfs/dbraw/zinc/47/68/17/527476817.db2.gz VPCJXLBTOSMEKU-PXNSSMCTSA-N 0 0 324.424 3.095 20 10 DGCDRN Nc1ccc(CCNC(=O)[C@H]2SCCc3sccc32)cc1 ZINC000237947417 527480661 /nfs/dbraw/zinc/48/06/61/527480661.db2.gz GTNWMODJFLNSSC-HNNXBMFYSA-N 0 0 318.467 3.020 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H]1C1CCCC1 ZINC000180689152 527611747 /nfs/dbraw/zinc/61/17/47/527611747.db2.gz KWOWRFDFHDNWRK-TUPIDYKKSA-N 0 0 301.386 3.292 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000180894786 527612815 /nfs/dbraw/zinc/61/28/15/527612815.db2.gz NRCLHUWCRNHVPV-VFDMCBIDSA-N 0 0 301.386 3.292 20 10 DGCDRN CCCN(CC1CC1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000155715403 528019477 /nfs/dbraw/zinc/01/94/77/528019477.db2.gz LKSLLADMUQZPJV-UHFFFAOYSA-N 0 0 313.445 3.394 20 10 DGCDRN CC(C)c1noc(N[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000301316926 528508070 /nfs/dbraw/zinc/50/80/70/528508070.db2.gz AJRUYZAAKAPJJI-CYBMUJFWSA-N 0 0 316.405 3.203 20 10 DGCDRN COC1(C(F)(F)F)CN(Cc2cc(Cl)c(C)cc2O)C1 ZINC001561023850 1189422091 /nfs/dbraw/zinc/42/20/91/1189422091.db2.gz BAYRDNBQBHLMGT-UHFFFAOYSA-N 0 0 309.715 3.117 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC[C@H]1CCOC1 ZINC000267519390 528941202 /nfs/dbraw/zinc/94/12/02/528941202.db2.gz FREZVXZRGNQCPE-KRWDZBQOSA-N 0 0 318.461 3.306 20 10 DGCDRN CCNC(=O)[C@H](C)[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000286887828 535404883 /nfs/dbraw/zinc/40/48/83/535404883.db2.gz ISNOPZHSIWHQAA-UFBFGSQYSA-N 0 0 319.232 3.264 20 10 DGCDRN CCOc1cccc(CN[C@@H](C)c2c(F)cncc2F)c1O ZINC000285477148 535462436 /nfs/dbraw/zinc/46/24/36/535462436.db2.gz LEDXQZWCJAXOEW-JTQLQIEISA-N 0 0 308.328 3.315 20 10 DGCDRN CC[C@@H](C)CCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000285412894 535481772 /nfs/dbraw/zinc/48/17/72/535481772.db2.gz KKOGNFBPONUUON-MRXNPFEDSA-N 0 0 318.461 3.308 20 10 DGCDRN CC[C@H]([NH2+]C[C@H](O)c1cccc(OC)c1)c1ccc(F)cc1[O-] ZINC000285987337 535911384 /nfs/dbraw/zinc/91/13/84/535911384.db2.gz HYVXNGKZTYYXCL-WMZOPIPTSA-N 0 0 319.376 3.314 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC[C@H]2CCO[C@@H](C)C2)c1 ZINC000273497781 536792736 /nfs/dbraw/zinc/79/27/36/536792736.db2.gz YDPKNCDVIDSWEI-IHRRRGAJSA-N 0 0 321.417 3.035 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCCOC(C)C)c1 ZINC000273395262 536793064 /nfs/dbraw/zinc/79/30/64/536793064.db2.gz FILWDUWNESKRKW-ZDUSSCGKSA-N 0 0 309.406 3.035 20 10 DGCDRN COc1ccccc1CC(=O)NCc1c(C)c2ccccc2n1C ZINC000471236023 537019297 /nfs/dbraw/zinc/01/92/97/537019297.db2.gz HWQGMOSAGPKOPB-UHFFFAOYSA-N 0 0 322.408 3.354 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC(C)(F)C3)ccc21 ZINC000684326536 549611628 /nfs/dbraw/zinc/61/16/28/549611628.db2.gz ZDKXGPCBPRHAOS-UHFFFAOYSA-N 0 0 318.392 3.089 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=S)NCC(C)C)cc1 ZINC000730595927 574532687 /nfs/dbraw/zinc/53/26/87/574532687.db2.gz CQHBWXXJIRYTTO-UHFFFAOYSA-N 0 0 307.507 3.495 20 10 DGCDRN Cc1cc(C(=O)NCc2cocn2)c(C)n1-c1ccc(F)cc1 ZINC000730803086 574536247 /nfs/dbraw/zinc/53/62/47/574536247.db2.gz LZERTAUZURXAHV-UHFFFAOYSA-N 0 0 313.332 3.151 20 10 DGCDRN COc1ccc(C(=O)NCc2ccc(N(C)C)cc2)c(Cl)c1 ZINC000730959873 574540298 /nfs/dbraw/zinc/54/02/98/574540298.db2.gz ZBPFDFORVUKCNY-UHFFFAOYSA-N 0 0 318.804 3.345 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2c[nH]cc2C)cc1F ZINC000731345977 574547582 /nfs/dbraw/zinc/54/75/82/574547582.db2.gz OPZHQJIQUQXYFK-UHFFFAOYSA-N 0 0 303.381 3.238 20 10 DGCDRN Cc1cc(C(=O)Nc2ccncc2O)c(C)n1-c1ccccc1C ZINC000731857456 574560368 /nfs/dbraw/zinc/56/03/68/574560368.db2.gz CBSDMKDPSZDNFB-UHFFFAOYSA-N 0 0 321.380 3.177 20 10 DGCDRN CCN(CCNC(=O)C1=CC(=O)CS1)c1cccc(C)c1 ZINC000731861753 574560460 /nfs/dbraw/zinc/56/04/60/574560460.db2.gz MRCZYYAPVNCWKX-UHFFFAOYSA-N 0 0 304.415 3.018 20 10 DGCDRN O=C(NC[C@H](c1ccccc1)N1CCCC1)C1=CC(=O)CS1 ZINC000731865352 574560522 /nfs/dbraw/zinc/56/05/22/574560522.db2.gz CAHOHUDDFGNEKZ-OAHLLOKOSA-N 0 0 316.426 3.021 20 10 DGCDRN CC(C)c1ocnc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000731878173 574561233 /nfs/dbraw/zinc/56/12/33/574561233.db2.gz UCTSXAHRWJGDLI-UHFFFAOYSA-N 0 0 313.401 3.328 20 10 DGCDRN CCCOCc1ccccc1CNC(=O)C1=CC(=O)CS1 ZINC000732273429 574569788 /nfs/dbraw/zinc/56/97/88/574569788.db2.gz WESMYAMVKDDHLF-UHFFFAOYSA-N 0 0 305.399 3.310 20 10 DGCDRN C[C@H](Cc1nc2ccccc2s1)NC(=O)C1=CC(=O)CS1 ZINC000732278278 574570257 /nfs/dbraw/zinc/57/02/57/574570257.db2.gz GGLMIWGIRLFEIV-SECBINFHSA-N 0 0 318.423 3.424 20 10 DGCDRN CCc1ccccc1NC(=O)[C@H](C)OC(=O)C1=CC(=O)CS1 ZINC000732352728 574572075 /nfs/dbraw/zinc/57/20/75/574572075.db2.gz DGWAZJYNRJNGNO-JTQLQIEISA-N 0 0 319.382 3.200 20 10 DGCDRN O=C(COC(=O)C1=CC(=O)CS1)c1ccc(Cl)s1 ZINC000732353016 574572254 /nfs/dbraw/zinc/57/22/54/574572254.db2.gz KIKSANGBFAETKQ-UHFFFAOYSA-N 0 0 302.760 3.208 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)NC[C@H]2CC2(C)C)C2CC2)cc1 ZINC000732893086 574586868 /nfs/dbraw/zinc/58/68/68/574586868.db2.gz OMQBYPYUXJBSEP-OAHLLOKOSA-N 0 0 315.461 3.473 20 10 DGCDRN CC[C@@H](OC1CCCC1)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000733362201 574617775 /nfs/dbraw/zinc/61/77/75/574617775.db2.gz IGKOKPWLHZZDKR-SJKOYZFVSA-N 0 0 321.417 3.316 20 10 DGCDRN Cc1cc(C(=O)OCCCOC(C)C)c(C)n1-c1ccccn1 ZINC000733434929 574623063 /nfs/dbraw/zinc/62/30/63/574623063.db2.gz GOKUANBNEXPIRT-UHFFFAOYSA-N 0 0 316.401 3.461 20 10 DGCDRN COc1ccc(O)c(CNC(=S)N[C@H](C)c2ccccc2)c1 ZINC000733905633 574642205 /nfs/dbraw/zinc/64/22/05/574642205.db2.gz BQURKHLZJPMWBA-GFCCVEGCSA-N 0 0 316.426 3.126 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NC[C@H](C)c2ccccc2)c1 ZINC000734065363 574648621 /nfs/dbraw/zinc/64/86/21/574648621.db2.gz VRLMDLSKUWVIJY-ZDUSSCGKSA-N 0 0 314.385 3.004 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NCC[C@@H]2CCCC[C@@H]2C)c1 ZINC000734067052 574649618 /nfs/dbraw/zinc/64/96/18/574649618.db2.gz GGEJIVQOSKRNOJ-KBPBESRZSA-N 0 0 320.433 3.416 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCc1coc2ccccc12 ZINC000734072339 574649622 /nfs/dbraw/zinc/64/96/22/574649622.db2.gz WGFXLUNCQHTDOT-UHFFFAOYSA-N 0 0 310.353 3.480 20 10 DGCDRN CCn1cc(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)cn1 ZINC000734359147 574659368 /nfs/dbraw/zinc/65/93/68/574659368.db2.gz YTURKLAGCIGXTO-UHFFFAOYSA-N 0 0 322.412 3.241 20 10 DGCDRN CC(=O)c1ccc(CC(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC000734405567 574659771 /nfs/dbraw/zinc/65/97/71/574659771.db2.gz SVVUIPXFCIMAHP-UHFFFAOYSA-N 0 0 324.424 3.123 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cc(C(C)C)no1 ZINC000734407264 574659893 /nfs/dbraw/zinc/65/98/93/574659893.db2.gz KPVXMPFHIMENHK-UHFFFAOYSA-N 0 0 301.390 3.102 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc2c(c1)CCC2 ZINC000734406547 574659983 /nfs/dbraw/zinc/65/99/83/574659983.db2.gz UVLGETJRLPUCNE-UHFFFAOYSA-N 0 0 308.425 3.480 20 10 DGCDRN CCC1CCN(C(=O)NCc2ccc(N(C)C)cc2C)CC1 ZINC000734687885 574672320 /nfs/dbraw/zinc/67/23/20/574672320.db2.gz WZCQRBJRGIVUGR-UHFFFAOYSA-N 0 0 303.450 3.393 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H]1C(C)C ZINC000734687119 574672518 /nfs/dbraw/zinc/67/25/18/574672518.db2.gz JAXUHEOMNPFLPF-KRWDZBQOSA-N 0 0 303.450 3.391 20 10 DGCDRN CC[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000735322831 574697900 /nfs/dbraw/zinc/69/79/00/574697900.db2.gz FYZNGGYYSHSIAL-OAHLLOKOSA-N 0 0 303.450 3.474 20 10 DGCDRN Cn1c(CNCc2c(O)cccc2Cl)nc2cc(F)ccc21 ZINC000736358029 574745696 /nfs/dbraw/zinc/74/56/96/574745696.db2.gz PLJJTKSUPPDSDJ-UHFFFAOYSA-N 0 0 319.767 3.361 20 10 DGCDRN CCN(CC)c1ccc(CN(C)[C@H](C)c2nnc(C)o2)cc1 ZINC000738300212 574864930 /nfs/dbraw/zinc/86/49/30/574864930.db2.gz UUWQJDZUWCZGFU-CYBMUJFWSA-N 0 0 302.422 3.417 20 10 DGCDRN O=C([O-])C[N@H+](Cc1cccc(F)c1)Cc1cc(Cl)ccc1O ZINC000739796520 574912653 /nfs/dbraw/zinc/91/26/53/574912653.db2.gz OEIRWVNFIXCHQV-UHFFFAOYSA-N 0 0 323.751 3.272 20 10 DGCDRN COc1ccc(N(Cc2ccco2)C[C@H]2CCOC2)cc1F ZINC000739926057 574916105 /nfs/dbraw/zinc/91/61/05/574916105.db2.gz HKGWDHUNONAPJK-CYBMUJFWSA-N 0 0 305.349 3.470 20 10 DGCDRN C[C@H]1CC(NC(=O)NCc2ccc(N(C)C)cc2)C[C@H](C)C1 ZINC000740023194 574919201 /nfs/dbraw/zinc/91/92/01/574919201.db2.gz OCWPJUHXIBNRRF-ZIAGYGMSSA-N 0 0 303.450 3.377 20 10 DGCDRN CCOc1ccc(S(=O)(=O)Nc2ccc(O)cc2C)cc1C ZINC000740701106 574939728 /nfs/dbraw/zinc/93/97/28/574939728.db2.gz RXOVQQMYZXOQNI-UHFFFAOYSA-N 0 0 321.398 3.209 20 10 DGCDRN CCC[C@](C)(O)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000740747464 574941299 /nfs/dbraw/zinc/94/12/99/574941299.db2.gz CKJJHEQGVXQBMJ-IBGZPJMESA-N 0 0 314.429 3.375 20 10 DGCDRN COC[C@@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)C(C)C ZINC000741612819 574964215 /nfs/dbraw/zinc/96/42/15/574964215.db2.gz WEKOQKWHZDGMOE-GOSISDBHSA-N 0 0 314.429 3.495 20 10 DGCDRN CCN(CC)c1ccc([C@@H]2NC3(CCCC3)C(=O)N2C)cc1F ZINC000742438985 575000006 /nfs/dbraw/zinc/00/00/06/575000006.db2.gz HALLVYCJPZIPAK-MRXNPFEDSA-N 0 0 319.424 3.045 20 10 DGCDRN C/C(=C/C(=O)NCc1ccc(N2CCOCC2)cc1)C(C)(C)C ZINC000742575205 575006965 /nfs/dbraw/zinc/00/69/65/575006965.db2.gz ZTBXIXHWTRSPLS-SQFISAMPSA-N 0 0 316.445 3.132 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)NC1CCCCC1 ZINC000742711022 575014153 /nfs/dbraw/zinc/01/41/53/575014153.db2.gz KUNHLILLWLHQHJ-UHFFFAOYSA-N 0 0 302.418 3.403 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCSC1 ZINC000742778688 575018900 /nfs/dbraw/zinc/01/89/00/575018900.db2.gz RIIHHRREWASHJE-LBPRGKRZSA-N 0 0 306.456 3.391 20 10 DGCDRN Cc1cc(O)ccc1NS(=O)(=O)c1ccc2ncccc2c1 ZINC000743259503 575040521 /nfs/dbraw/zinc/04/05/21/575040521.db2.gz BECASQZHDUOJIK-UHFFFAOYSA-N 0 0 314.366 3.050 20 10 DGCDRN Cn1c(C(=O)NCc2ccccc2O)ccc1-c1ccccc1 ZINC000743326653 575043423 /nfs/dbraw/zinc/04/34/23/575043423.db2.gz FUEKRICMYLTAGZ-UHFFFAOYSA-N 0 0 306.365 3.328 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)c2ccc(C)o2)c1 ZINC000743335924 575043812 /nfs/dbraw/zinc/04/38/12/575043812.db2.gz DCGMBSFWGKEMRO-VXGBXAGGSA-N 0 0 303.358 3.283 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@H]2C[C@@H]2Cc2ccccc2)cc1 ZINC000743638756 575059871 /nfs/dbraw/zinc/05/98/71/575059871.db2.gz UIBQGXBLCPMCRT-HKUYNNGSSA-N 0 0 323.440 3.183 20 10 DGCDRN CC[C@@](C)(O)CNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000743760194 575062826 /nfs/dbraw/zinc/06/28/26/575062826.db2.gz KCDBOJPHPUTWKH-LJQANCHMSA-N 0 0 314.429 3.293 20 10 DGCDRN O=C(NCc1ccc(-c2cccnc2)cc1)C1=CC(=O)CS1 ZINC000743810360 575064117 /nfs/dbraw/zinc/06/41/17/575064117.db2.gz VYCSXMHXELVZKH-UHFFFAOYSA-N 0 0 310.378 3.446 20 10 DGCDRN CCOc1ccc(N(C)Cc2nc(CC(F)(F)F)no2)cc1 ZINC000743850885 575065217 /nfs/dbraw/zinc/06/52/17/575065217.db2.gz FKUZTXWRMWHMGI-UHFFFAOYSA-N 0 0 315.295 3.210 20 10 DGCDRN CCN(Cc1nc2ccccc2c(=O)[nH]1)c1ccc(OC)cc1 ZINC000728918263 575194034 /nfs/dbraw/zinc/19/40/34/575194034.db2.gz TXPLOOJCVZOHTJ-UHFFFAOYSA-N 0 0 309.369 3.371 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C)c(OC)c2)c1 ZINC000728979735 575198894 /nfs/dbraw/zinc/19/88/94/575198894.db2.gz LIAFIUSKIWKKQD-GFCCVEGCSA-N 0 0 315.369 3.209 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)ccc2F)c1 ZINC000728978435 575199112 /nfs/dbraw/zinc/19/91/12/575199112.db2.gz HMGJCKAQMQLGNW-LLVKDONJSA-N 0 0 303.333 3.339 20 10 DGCDRN COCc1ccc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000728983723 575199344 /nfs/dbraw/zinc/19/93/44/575199344.db2.gz CZBYEGUMTGHFMS-LBPRGKRZSA-N 0 0 315.369 3.038 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)Cc2ccc(Cl)cc2)c1 ZINC000728985630 575199354 /nfs/dbraw/zinc/19/93/54/575199354.db2.gz ZFMROJKBXZYDLH-NSHDSACASA-N 0 0 319.788 3.474 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)OCC(F)F)ccc21 ZINC000729073708 575214069 /nfs/dbraw/zinc/21/40/69/575214069.db2.gz MCWKHKJADPWITO-UHFFFAOYSA-N 0 0 311.328 3.326 20 10 DGCDRN CCOc1ccccc1OCCOC(=O)C1=CC(=O)CS1 ZINC000745002190 575368652 /nfs/dbraw/zinc/36/86/52/575368652.db2.gz INQAKIGNHBTCNB-UHFFFAOYSA-N 0 0 308.355 3.088 20 10 DGCDRN CC[C@@H]1C[C@@H](C)CN1c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000745975219 575425727 /nfs/dbraw/zinc/42/57/27/575425727.db2.gz FUNPXOASAJNQBQ-QJUZWUIZSA-N 0 0 318.373 3.406 20 10 DGCDRN CCN(CC(=O)Nc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000746109796 575433219 /nfs/dbraw/zinc/43/32/19/575433219.db2.gz WLHQPEUCTFVWLS-UHFFFAOYSA-N 0 0 314.385 3.169 20 10 DGCDRN CCN(CC(=O)N[C@H](C)c1cccs1)c1ccc(OC)cc1 ZINC000746109971 575433300 /nfs/dbraw/zinc/43/33/00/575433300.db2.gz YJSSQQJAHRUQAZ-CYBMUJFWSA-N 0 0 318.442 3.460 20 10 DGCDRN Cc1ccc2c(c1)N(C(=O)NCc1ccc(N(C)C)cc1)CC2 ZINC000746706246 575471218 /nfs/dbraw/zinc/47/12/18/575471218.db2.gz NCXCUZJMKABAHI-UHFFFAOYSA-N 0 0 309.413 3.333 20 10 DGCDRN CN1CCCc2cc(CNC(=O)CCc3ccccc3)ccc21 ZINC000746808761 575476087 /nfs/dbraw/zinc/47/60/87/575476087.db2.gz KERKSPJDCBSRNV-UHFFFAOYSA-N 0 0 308.425 3.318 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCC2CCCCC2)cc1F ZINC000746975340 575487169 /nfs/dbraw/zinc/48/71/69/575487169.db2.gz DCBUOGUWADCZFP-UHFFFAOYSA-N 0 0 307.413 3.271 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)OCc2ccnn2C)cc1 ZINC000747273146 575509518 /nfs/dbraw/zinc/50/95/18/575509518.db2.gz SBUSPAODLNCLDW-UHFFFAOYSA-N 0 0 309.369 3.185 20 10 DGCDRN CC1=C(C(=O)NCc2ccc(N3CCSCC3)cc2)CCC1 ZINC000747388571 575515258 /nfs/dbraw/zinc/51/52/58/575515258.db2.gz BHHSFRKZRSIVAW-UHFFFAOYSA-N 0 0 316.470 3.356 20 10 DGCDRN O=C(Cn1ccc2ccc(Cl)cc21)NCc1ccccc1O ZINC000748345845 575581789 /nfs/dbraw/zinc/58/17/89/575581789.db2.gz DSLNVLDWXMSQBI-UHFFFAOYSA-N 0 0 314.772 3.317 20 10 DGCDRN O=C(NCc1ccccc1O)c1cccnc1SC(F)F ZINC000748352531 575582552 /nfs/dbraw/zinc/58/25/52/575582552.db2.gz DJFROEQAYAJUSJ-UHFFFAOYSA-N 0 0 310.325 3.032 20 10 DGCDRN COc1ccc(C(=O)NCc2ccccc2O)c2ccccc12 ZINC000748354013 575582917 /nfs/dbraw/zinc/58/29/17/575582917.db2.gz VDVLVCUXACGQGG-UHFFFAOYSA-N 0 0 307.349 3.484 20 10 DGCDRN Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCc1ccccc1O ZINC000748355197 575582953 /nfs/dbraw/zinc/58/29/53/575582953.db2.gz VKDKZWFXMFFWDE-GFCCVEGCSA-N 0 0 319.788 3.438 20 10 DGCDRN Cc1cnc(CNC(=O)c2sccc2-n2c(C)ccc2C)o1 ZINC000748377891 575583612 /nfs/dbraw/zinc/58/36/12/575583612.db2.gz FNWUHMAVDMWKBC-UHFFFAOYSA-N 0 0 315.398 3.382 20 10 DGCDRN COc1c(C)ccc(NC(=O)NCc2ccccc2O)c1C ZINC000748445044 575587016 /nfs/dbraw/zinc/58/70/16/575587016.db2.gz ZEZQYEMKWMCPPI-UHFFFAOYSA-N 0 0 300.358 3.339 20 10 DGCDRN O=C(NCc1cc2c(s1)CCCC2)NCc1ccccc1O ZINC000748460334 575588079 /nfs/dbraw/zinc/58/80/79/575588079.db2.gz BVJVDJGESWEMMO-UHFFFAOYSA-N 0 0 316.426 3.332 20 10 DGCDRN O=C(NCc1ccccc1O)NC[C@H]1CCCc2ccccc21 ZINC000748458758 575588111 /nfs/dbraw/zinc/58/81/11/575588111.db2.gz BONQHUARIKBUTO-OAHLLOKOSA-N 0 0 310.397 3.312 20 10 DGCDRN CCOc1ccc([C@@H](C)NC(=O)NCc2ccccc2O)cc1 ZINC000748463454 575588714 /nfs/dbraw/zinc/58/87/14/575588714.db2.gz RGNXKTIGGGSWEZ-CYBMUJFWSA-N 0 0 314.385 3.351 20 10 DGCDRN CC[C@H](O)CCCNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000748551607 575592852 /nfs/dbraw/zinc/59/28/52/575592852.db2.gz PLEBOBHMXOGZPU-SFHVURJKSA-N 0 0 314.429 3.375 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccnc(F)c2)cc1 ZINC000748705452 575601763 /nfs/dbraw/zinc/60/17/63/575601763.db2.gz JCSUGQHZLGBFOC-UHFFFAOYSA-N 0 0 315.392 3.339 20 10 DGCDRN O=C(/C=C\c1cnccn1)N1CC2(CCCC2)c2c1cccc2F ZINC000749151591 575630480 /nfs/dbraw/zinc/63/04/80/575630480.db2.gz SSTMBMIJDOKJRJ-SREVYHEPSA-N 0 0 323.371 3.488 20 10 DGCDRN CN(C)c1ccc(CN(c2cncc(Cl)n2)C2CC2)cc1 ZINC000749272785 575641415 /nfs/dbraw/zinc/64/14/15/575641415.db2.gz XDCKFARXKUMKHS-UHFFFAOYSA-N 0 0 302.809 3.365 20 10 DGCDRN CC[C@@H](C)NC(=S)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000749760684 575676074 /nfs/dbraw/zinc/67/60/74/575676074.db2.gz WYCWHWWUHFYEPH-HIFRSBDPSA-N 0 0 322.474 3.046 20 10 DGCDRN Cn1cc(/C=C\C(=O)N2CCc3cc(C(C)(C)C)ccc32)cn1 ZINC000749805659 575679789 /nfs/dbraw/zinc/67/97/89/575679789.db2.gz VEBNXANQHSAMCT-YVMONPNESA-N 0 0 309.413 3.320 20 10 DGCDRN CC[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@H](C)O1 ZINC000750045479 575699939 /nfs/dbraw/zinc/69/99/39/575699939.db2.gz RKIUDVUBDGTSPN-YGRLFVJLSA-N 0 0 311.809 3.248 20 10 DGCDRN Cn1nncc1/C=C(\Cl)c1nc2cc(Cl)ccc2n1C ZINC000751032539 575768373 /nfs/dbraw/zinc/76/83/73/575768373.db2.gz QOFACUUVCUNQNP-POHAHGRESA-N 0 0 308.172 3.092 20 10 DGCDRN CCOc1ccc([C@H](C)NC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000751533444 575789523 /nfs/dbraw/zinc/78/95/23/575789523.db2.gz NYJOKNJXXNOVJT-LBPRGKRZSA-N 0 0 315.369 3.296 20 10 DGCDRN COc1ccc(N(C)CCOc2ccc(F)cc2)c(OC)c1 ZINC000752113957 575823786 /nfs/dbraw/zinc/82/37/86/575823786.db2.gz SFBDJBGNXFYPGD-UHFFFAOYSA-N 0 0 305.349 3.358 20 10 DGCDRN COc1ccc(N(C)Cc2ccc(OC)c(F)c2)c(OC)c1 ZINC000752125589 575824393 /nfs/dbraw/zinc/82/43/93/575824393.db2.gz TYPQJMOOIDTYIO-UHFFFAOYSA-N 0 0 305.349 3.488 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCC1(CO)CCC1 ZINC000752424353 575836449 /nfs/dbraw/zinc/83/64/49/575836449.db2.gz DQQVHMAEXFWYAF-UHFFFAOYSA-N 0 0 318.442 3.048 20 10 DGCDRN C[C@H](Cc1ccco1)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000725843697 575927276 /nfs/dbraw/zinc/92/72/76/575927276.db2.gz CSJLTZDORYOYAB-SECBINFHSA-N 0 0 310.737 3.268 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@H]1CCc2cc(F)ccc21 ZINC000726240175 576014420 /nfs/dbraw/zinc/01/44/20/576014420.db2.gz UEMNTAYTRZBYMT-HNNXBMFYSA-N 0 0 300.333 3.018 20 10 DGCDRN Cc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)ccc1F ZINC000728820234 576209251 /nfs/dbraw/zinc/20/92/51/576209251.db2.gz GEOHYYIKPMGYHS-UHFFFAOYSA-N 0 0 304.340 3.269 20 10 DGCDRN CCN(C)c1ccc(CN[C@H](CO)c2ccc(F)cc2F)cc1 ZINC000852714024 620642043 /nfs/dbraw/zinc/64/20/43/620642043.db2.gz VEVSOFXDQQSULZ-GOSISDBHSA-N 0 0 320.383 3.244 20 10 DGCDRN CC1(C)CN(C(=O)Cc2ccc(N)cc2)[C@H]1c1cccs1 ZINC000852872350 620653539 /nfs/dbraw/zinc/65/35/39/620653539.db2.gz DZEWENJVYOOSMD-INIZCTEOSA-N 0 0 300.427 3.483 20 10 DGCDRN CN(C)c1ccc(CN(Cc2nnsc2Cl)C2CC2)cc1 ZINC000917074294 620654888 /nfs/dbraw/zinc/65/48/88/620654888.db2.gz WEWILNLVPLLORA-UHFFFAOYSA-N 0 0 322.865 3.422 20 10 DGCDRN CN(C)c1ccc(CN(C)c2c(Cl)cncc2[N+](=O)[O-])cc1 ZINC000853094106 620668128 /nfs/dbraw/zinc/66/81/28/620668128.db2.gz YIVKEZOMNHLPIM-UHFFFAOYSA-N 0 0 320.780 3.346 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1cc(F)ncn1 ZINC000853095890 620668545 /nfs/dbraw/zinc/66/85/45/620668545.db2.gz DBVNBHSYXVMIBG-UHFFFAOYSA-N 0 0 300.381 3.242 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000917504037 620671368 /nfs/dbraw/zinc/67/13/68/620671368.db2.gz ZPJHXWRILCNQKE-HIFRSBDPSA-N 0 0 318.442 3.453 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cc1[O-] ZINC000853241016 620681515 /nfs/dbraw/zinc/68/15/15/620681515.db2.gz RRVLWYWWCOLOOO-DZGCQCFKSA-N 0 0 306.425 3.304 20 10 DGCDRN CCOc1cc(N[C@@H](C)c2cc(OC)ccc2O)nc(C)n1 ZINC000853269180 620683694 /nfs/dbraw/zinc/68/36/94/620683694.db2.gz MCDDOSBCNAHSJG-JTQLQIEISA-N 0 0 303.362 3.071 20 10 DGCDRN C[C@@H]1CCN(C(=O)NCCCSc2nccs2)[C@H](C)C1 ZINC000154662062 620701322 /nfs/dbraw/zinc/70/13/22/620701322.db2.gz JQJIBRVQFPXHDJ-VXGBXAGGSA-N 0 0 313.492 3.455 20 10 DGCDRN CCC(CC)(CC)CNC(=O)NCc1cccc(OC)c1O ZINC000154723688 620707158 /nfs/dbraw/zinc/70/71/58/620707158.db2.gz CTKODCVRAFFRDO-UHFFFAOYSA-N 0 0 308.422 3.416 20 10 DGCDRN Oc1cc2c(cc1CN1CC3(CCC3)[C@H]1c1ccncc1)OCO2 ZINC000853629662 620717837 /nfs/dbraw/zinc/71/78/37/620717837.db2.gz LSLVXBFZBWMWBT-GOSISDBHSA-N 0 0 324.380 3.243 20 10 DGCDRN COc1ccc(N2CC[C@H](Nc3ncnc4c3CCCC4)C2)cc1 ZINC000853758831 620734531 /nfs/dbraw/zinc/73/45/31/620734531.db2.gz KZUWPNAJVWCFPG-AWEZNQCLSA-N 0 0 324.428 3.055 20 10 DGCDRN COc1ccc(N2CC[C@@H](Nc3noc(C(C)(C)C)n3)C2)cc1 ZINC000853758894 620734323 /nfs/dbraw/zinc/73/43/23/620734323.db2.gz MFMGNLWYKOMTRU-GFCCVEGCSA-N 0 0 316.405 3.067 20 10 DGCDRN CC[C@@](C)(NC(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1 ZINC000853776796 620736826 /nfs/dbraw/zinc/73/68/26/620736826.db2.gz WGMONVVHPNIQKP-LJQANCHMSA-N 0 0 313.445 3.441 20 10 DGCDRN CSC1CCC(CNC(=O)N(C)Cc2ccccc2O)CC1 ZINC000924286816 617605857 /nfs/dbraw/zinc/60/58/57/617605857.db2.gz KVZPJFXOCXEFQW-UHFFFAOYSA-N 0 0 322.474 3.455 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000890757407 617655768 /nfs/dbraw/zinc/65/57/68/617655768.db2.gz CPEHIWCDZCVLDQ-QYJAPNMZSA-N 0 0 321.804 3.057 20 10 DGCDRN Cc1noc(C)c1[C@@H](C)C(=O)NCc1cccc(Cl)c1O ZINC000890758007 617655927 /nfs/dbraw/zinc/65/59/27/617655927.db2.gz POSXPKHJGHLZIG-MRVPVSSYSA-N 0 0 308.765 3.070 20 10 DGCDRN C[C@H]1C(=O)CC[C@H](C(=O)NCc2cccc(Cl)c2O)C1(C)C ZINC000890760048 617656348 /nfs/dbraw/zinc/65/63/48/617656348.db2.gz ZJXDDPGJXDHBSQ-CMPLNLGQSA-N 0 0 323.820 3.303 20 10 DGCDRN CO[C@@H]1CCC[C@@H](CC(=O)NCc2cccc(Cl)c2O)C1 ZINC000890759127 617656435 /nfs/dbraw/zinc/65/64/35/617656435.db2.gz DDNTWSTYTKHZMK-DGCLKSJQSA-N 0 0 311.809 3.257 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1csc(NC2CC2)n1 ZINC000890759650 617656508 /nfs/dbraw/zinc/65/65/08/617656508.db2.gz GJAOACVUYKQOFJ-UHFFFAOYSA-N 0 0 323.805 3.006 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1CCCCCC(=O)C1 ZINC000890759265 617656515 /nfs/dbraw/zinc/65/65/15/617656515.db2.gz IYMMXDCTWBCXIY-LLVKDONJSA-N 0 0 309.793 3.201 20 10 DGCDRN C[C@@H]1CCCC[C@@H]1OCC(=O)NCc1cccc(Cl)c1O ZINC000890760587 617657001 /nfs/dbraw/zinc/65/70/01/617657001.db2.gz UHXYNRHSPYHXGA-RISCZKNCSA-N 0 0 311.809 3.257 20 10 DGCDRN O=C(CCCc1nccs1)NCc1cccc(Cl)c1O ZINC000890760009 617657293 /nfs/dbraw/zinc/65/72/93/617657293.db2.gz YOWYGBFGRNVRDN-UHFFFAOYSA-N 0 0 310.806 3.141 20 10 DGCDRN CCc1nccn1[C@H](C)CC(=O)NCc1cccc(Cl)c1O ZINC000890761665 617657756 /nfs/dbraw/zinc/65/77/56/617657756.db2.gz VKIONCLNNDZOGZ-LLVKDONJSA-N 0 0 321.808 3.072 20 10 DGCDRN O=C(C[C@H]1CC[C@H](C2CC2)O1)NCc1cccc(Cl)c1O ZINC000890762983 617658565 /nfs/dbraw/zinc/65/85/65/617658565.db2.gz LVTCMWNXMAIDEQ-TZMCWYRMSA-N 0 0 309.793 3.010 20 10 DGCDRN C[C@@H]1CC[C@H](C(=O)NCc2cc(Br)ccc2O)C1 ZINC000804738331 617662381 /nfs/dbraw/zinc/66/23/81/617662381.db2.gz MCWVHKQOTUQCEX-ZJUUUORDSA-N 0 0 312.207 3.207 20 10 DGCDRN O=C(NCc1cc(Br)ccc1O)[C@@H]1CC=CCC1 ZINC000804739347 617662536 /nfs/dbraw/zinc/66/25/36/617662536.db2.gz WSESGMNNLGPBRP-SNVBAGLBSA-N 0 0 310.191 3.127 20 10 DGCDRN CC[C@@H]([NH2+][C@@H]1CCN(C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806137100 617746516 /nfs/dbraw/zinc/74/65/16/617746516.db2.gz GVSXAQAOJQKATQ-ZWNOBZJWSA-N 0 0 303.233 3.444 20 10 DGCDRN CCCCOCCCNC(=O)NCc1cccc(Cl)c1O ZINC000891472328 617809528 /nfs/dbraw/zinc/80/95/28/617809528.db2.gz WZUXFYIWYQNLPF-UHFFFAOYSA-N 0 0 314.813 3.052 20 10 DGCDRN Cc1ccc(C[C@H](C)NC(=O)NCc2c(O)cccc2F)s1 ZINC000919666374 620759983 /nfs/dbraw/zinc/75/99/83/620759983.db2.gz COTZMHYIDYYTBX-JTQLQIEISA-N 0 0 322.405 3.332 20 10 DGCDRN CN(Cc1nc(Cc2ccccc2)no1)c1ccc2c(c1)OCO2 ZINC000121276712 617941726 /nfs/dbraw/zinc/94/17/26/617941726.db2.gz YNNYBBVAVVTVLT-UHFFFAOYSA-N 0 0 323.352 3.026 20 10 DGCDRN CN1CCOc2ccc(NCc3c(O)cccc3Cl)cc21 ZINC000132967521 618004123 /nfs/dbraw/zinc/00/41/23/618004123.db2.gz VUDCRVWOYZMUHO-UHFFFAOYSA-N 0 0 304.777 3.486 20 10 DGCDRN CC(C)(/C=C\Cl)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000919918363 620771642 /nfs/dbraw/zinc/77/16/42/620771642.db2.gz MDBDLNMUOWQZIN-KTKRTIGZSA-N 0 0 319.836 3.393 20 10 DGCDRN Nc1ccc(Cc2noc([C@@H]3COC[C@@H]3c3ccccc3)n2)cc1 ZINC000854134637 620772291 /nfs/dbraw/zinc/77/22/91/620772291.db2.gz RPFJZGPMBARXRO-IAGOWNOFSA-N 0 0 321.380 3.140 20 10 DGCDRN CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000840889232 618141063 /nfs/dbraw/zinc/14/10/63/618141063.db2.gz FRMJOAALPSYFBA-DTWKUNHWSA-N 0 0 319.232 3.263 20 10 DGCDRN C[NH2+]C[C@H](C)N[C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000854232450 620787137 /nfs/dbraw/zinc/78/71/37/620787137.db2.gz QDEZLMZXQQHKJK-YUMQZZPRSA-N 0 0 321.646 3.067 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]C[C@@H](C(=O)[O-])C2CCC2)cc1F ZINC000854245847 620787775 /nfs/dbraw/zinc/78/77/75/620787775.db2.gz FHCZDBRSZMIDOX-OAHLLOKOSA-N 0 0 322.424 3.262 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000894480886 618350241 /nfs/dbraw/zinc/35/02/41/618350241.db2.gz RIIZBOXJTOJWFQ-GOSISDBHSA-N 0 0 317.335 3.302 20 10 DGCDRN COc1ccc(N2CC[C@@H](Nc3cc(C(F)F)ncn3)C2)cc1 ZINC000894485489 618352235 /nfs/dbraw/zinc/35/22/35/618352235.db2.gz OMQFIBGUAQCFKC-LLVKDONJSA-N 0 0 320.343 3.114 20 10 DGCDRN CSC1(CNC(=O)NCc2cccc(Cl)c2O)CCC1 ZINC000894500020 618361467 /nfs/dbraw/zinc/36/14/67/618361467.db2.gz JHGBKMALSSDJKJ-UHFFFAOYSA-N 0 0 314.838 3.131 20 10 DGCDRN Cc1cc(CC(=O)N2CCOCC23CC3)c(C)n1-c1ccccc1 ZINC000854384551 620799119 /nfs/dbraw/zinc/79/91/19/620799119.db2.gz XOPIVFZZCNZRBA-UHFFFAOYSA-N 0 0 324.424 3.028 20 10 DGCDRN Cc1noc(C)c1[C@H](C)NC(=O)NCc1cccc(Cl)c1O ZINC000892972362 618373219 /nfs/dbraw/zinc/37/32/19/618373219.db2.gz XGSWMASJHGQISR-QMMMGPOBSA-N 0 0 323.780 3.211 20 10 DGCDRN CC[C@H](C)c1nnc([C@H](C)NCc2cc(C)cc(OC)c2O)[nH]1 ZINC000894554917 618384768 /nfs/dbraw/zinc/38/47/68/618384768.db2.gz BPFVCVRBZZSHNF-RYUDHWBXSA-N 0 0 318.421 3.192 20 10 DGCDRN COc1cccc2c1N(C(=O)/C=C/c1cnc(C)s1)CCC2 ZINC000112234303 620802436 /nfs/dbraw/zinc/80/24/36/620802436.db2.gz LSOANCWEINLMIF-CMDGGOBGSA-N 0 0 314.410 3.453 20 10 DGCDRN Cc1ncc(/C=C/C(=O)N(C)c2ccc(N(C)C)cc2)s1 ZINC000112245589 620806519 /nfs/dbraw/zinc/80/65/19/620806519.db2.gz SOJAEWSMPZCQFM-MDZDMXLPSA-N 0 0 301.415 3.194 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)[C@H]1C[C@H]2C[C@H]2C1 ZINC000854514522 620811497 /nfs/dbraw/zinc/81/14/97/620811497.db2.gz WXPYTYIMNBNSOA-WDNDVIMCSA-N 0 0 318.380 3.381 20 10 DGCDRN CC(C)C[N@H+](Cc1cnn(C)c1)Cc1cc(F)cc(F)c1[O-] ZINC000894969404 618504056 /nfs/dbraw/zinc/50/40/56/618504056.db2.gz CYWNOTLZWJPXES-UHFFFAOYSA-N 0 0 309.360 3.062 20 10 DGCDRN Cc1ccc(C(=O)NCc2cnccc2C(C)(C)C)c(O)c1O ZINC000840508819 618544111 /nfs/dbraw/zinc/54/41/11/618544111.db2.gz JJVVOUNLQSPZGR-UHFFFAOYSA-N 0 0 314.385 3.029 20 10 DGCDRN C[C@@H](CCO)[N@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000895149904 618554483 /nfs/dbraw/zinc/55/44/83/618554483.db2.gz UHPHCNNYLQVHCY-QMMMGPOBSA-N 0 0 322.630 3.011 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(N)ccn1)c1cccc(C(F)(F)F)c1[O-] ZINC000925767853 618611081 /nfs/dbraw/zinc/61/10/81/618611081.db2.gz QPWIWSYHONUKRR-VIFPVBQESA-N 0 0 311.307 3.239 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1CCC(=O)Nc2ccccc21 ZINC000840947202 618620277 /nfs/dbraw/zinc/62/02/77/618620277.db2.gz RANQNVCAKPIURG-UHFFFAOYSA-N 0 0 309.413 3.410 20 10 DGCDRN CO[C@](C)([C@@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F)C1CC1 ZINC000840961123 618639203 /nfs/dbraw/zinc/63/92/03/618639203.db2.gz QRFOYZVOVOKVOF-RFAUZJTJSA-N 0 0 301.789 3.478 20 10 DGCDRN CN(C)c1ccc(CN2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000788841745 625280142 /nfs/dbraw/zinc/28/01/42/625280142.db2.gz XUWHRSYPJXLRFM-UHFFFAOYSA-N 0 0 305.422 3.110 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCC(F)(F)c1ccccc1 ZINC000788850497 625282393 /nfs/dbraw/zinc/28/23/93/625282393.db2.gz LTLNTJLJCUYCDM-UHFFFAOYSA-N 0 0 320.339 3.326 20 10 DGCDRN COCC[N@H+](Cc1cccs1)Cc1cc(F)cc(F)c1[O-] ZINC000893911683 618674875 /nfs/dbraw/zinc/67/48/75/618674875.db2.gz QNOAKEXOKIXYGB-UHFFFAOYSA-N 0 0 313.369 3.381 20 10 DGCDRN CCCN(Cc1ncc(C(=O)OC)s1)Cc1ccccc1O ZINC000893984953 618690167 /nfs/dbraw/zinc/69/01/67/618690167.db2.gz VTHFYAVJADAXTI-UHFFFAOYSA-N 0 0 320.414 3.048 20 10 DGCDRN Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894093003 618708366 /nfs/dbraw/zinc/70/83/66/618708366.db2.gz ATFNBTKLWKIZGL-HNNXBMFYSA-N 0 0 307.344 3.049 20 10 DGCDRN Cn1cc(Cl)cc1C[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894095314 618709072 /nfs/dbraw/zinc/70/90/72/618709072.db2.gz QTZONTFGZLFQLE-UHFFFAOYSA-N 0 0 300.736 3.294 20 10 DGCDRN C[C@H](NC(=O)NC[C@H]1CC(C)(C)OC1(C)C)c1ccccc1O ZINC000927632908 618710393 /nfs/dbraw/zinc/71/03/93/618710393.db2.gz PIWQPOSYQRBAJX-QWHCGFSZSA-N 0 0 320.433 3.346 20 10 DGCDRN COc1cc(C)cc(CNc2cccc(C(=O)N(C)C)c2)c1O ZINC000894117357 618714331 /nfs/dbraw/zinc/71/43/31/618714331.db2.gz NLQXAUOARDKJRS-UHFFFAOYSA-N 0 0 314.385 3.023 20 10 DGCDRN COc1ccccc1NC(=S)NCCN(C)c1ccccc1 ZINC000016704915 618747806 /nfs/dbraw/zinc/74/78/06/618747806.db2.gz QLKMMUFRFPFKCR-UHFFFAOYSA-N 0 0 315.442 3.118 20 10 DGCDRN CC1(C)CO[C@@H](CC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000895711375 618820860 /nfs/dbraw/zinc/82/08/60/618820860.db2.gz QCPPRKFSZRMBRV-KRWDZBQOSA-N 0 0 316.445 3.108 20 10 DGCDRN COc1ccc(C[N@H+](CCO)Cc2c(O)cccc2Cl)cc1 ZINC000895709717 618822513 /nfs/dbraw/zinc/82/25/13/618822513.db2.gz CKDZGIXXALCHNG-UHFFFAOYSA-N 0 0 321.804 3.049 20 10 DGCDRN CN(C)c1ccc([S@@](C)(=O)=NCc2cc(F)ccc2O)cc1 ZINC000895735079 618826053 /nfs/dbraw/zinc/82/60/53/618826053.db2.gz SODKQNYYORWTSG-JOCHJYFZSA-N 0 0 322.405 3.254 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cccnc2C(F)F)c1 ZINC000896165948 618880467 /nfs/dbraw/zinc/88/04/67/618880467.db2.gz ZTBXPHZZKOQDEU-VIFPVBQESA-N 0 0 322.311 3.224 20 10 DGCDRN C[C@H]1SCCN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@H]1C ZINC000896445190 618914858 /nfs/dbraw/zinc/91/48/58/618914858.db2.gz NSARYWWQCQDQFG-DTWKUNHWSA-N 0 0 323.439 3.279 20 10 DGCDRN CCOc1cccc(CN2CCS[C@H](C(F)(F)F)C2)c1O ZINC000896456366 618916265 /nfs/dbraw/zinc/91/62/65/618916265.db2.gz UKMTYKGRTFXSIN-LBPRGKRZSA-N 0 0 321.364 3.271 20 10 DGCDRN [O-]c1cccc(F)c1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000896636930 618939392 /nfs/dbraw/zinc/93/93/92/618939392.db2.gz JAUZCTDEMPOOPC-UHFFFAOYSA-N 0 0 300.377 3.290 20 10 DGCDRN [O-]c1cccc(F)c1C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000896640224 618939978 /nfs/dbraw/zinc/93/99/78/618939978.db2.gz HAVKQSFNWQHPSV-UHFFFAOYSA-N 0 0 314.404 3.286 20 10 DGCDRN CS[C@H]1CC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896697674 618947468 /nfs/dbraw/zinc/94/74/68/618947468.db2.gz WYEBSSBKSYYUQM-UWVGGRQHSA-N 0 0 323.439 3.326 20 10 DGCDRN C[NH+](C)CC[C@H](NCc1cccc(Cl)c1[O-])c1cccnc1 ZINC000896718763 618947863 /nfs/dbraw/zinc/94/78/63/618947863.db2.gz CXRLGVLMJUJOAB-INIZCTEOSA-N 0 0 319.836 3.223 20 10 DGCDRN CN(C)c1ccc(CNc2ccc(Cn3cncn3)cc2)cc1 ZINC000121284430 618988311 /nfs/dbraw/zinc/98/83/11/618988311.db2.gz AUORYPGHUDQWFO-UHFFFAOYSA-N 0 0 307.401 3.005 20 10 DGCDRN Cc1cccc(C)c1NC(=O)CN(C)c1ccc2c(c1)OCO2 ZINC000121290105 618994519 /nfs/dbraw/zinc/99/45/19/618994519.db2.gz YXPNILYLOYLRGX-UHFFFAOYSA-N 0 0 312.369 3.107 20 10 DGCDRN CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3cccc(Cl)c3[O-])C2)n1 ZINC000897046447 619006326 /nfs/dbraw/zinc/00/63/26/619006326.db2.gz ZEZLPBXOFIHSKW-CMPLNLGQSA-N 0 0 321.808 3.417 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000897081076 619012344 /nfs/dbraw/zinc/01/23/44/619012344.db2.gz JHTAVQXNUCXNCD-ZBEGNZNMSA-N 0 0 313.800 3.480 20 10 DGCDRN C[C@@H](NC(=O)NCC[C@H]1CCC(C)(C)CO1)c1ccccc1O ZINC000897094062 619015059 /nfs/dbraw/zinc/01/50/59/619015059.db2.gz GOWCGSUWSIOFRJ-ZIAGYGMSSA-N 0 0 320.433 3.348 20 10 DGCDRN Cc1cc(C(=O)NCc2c(O)cccc2F)c(C)n1C(C)C ZINC000928709938 619059501 /nfs/dbraw/zinc/05/95/01/619059501.db2.gz ODGOVBDOWDBTMJ-UHFFFAOYSA-N 0 0 304.365 3.461 20 10 DGCDRN CCOCc1nc(C)cc(NCc2cccc(Cl)c2O)n1 ZINC000897391892 619102477 /nfs/dbraw/zinc/10/24/77/619102477.db2.gz DSFGAEQBGMIFJT-UHFFFAOYSA-N 0 0 307.781 3.293 20 10 DGCDRN CSCCCN(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897657334 619171755 /nfs/dbraw/zinc/17/17/55/619171755.db2.gz PIEYSHNYTOIFFV-UHFFFAOYSA-N 0 0 311.428 3.138 20 10 DGCDRN c1cc(N2CCOCC2)ccc1CNc1ccc(C2CC2)cn1 ZINC000897711988 619175563 /nfs/dbraw/zinc/17/55/63/619175563.db2.gz JSVONNLGVIFGIL-UHFFFAOYSA-N 0 0 309.413 3.408 20 10 DGCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CC(CC(F)F)C1 ZINC000898015857 619205995 /nfs/dbraw/zinc/20/59/95/619205995.db2.gz RMIQVDPDPIBENH-UHFFFAOYSA-N 0 0 313.325 3.040 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000898065441 619210739 /nfs/dbraw/zinc/21/07/39/619210739.db2.gz VRTHSQNCVFPSRE-ZUZCIYMTSA-N 0 0 311.784 3.234 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ccnn1[C@@H]1CCCOC1 ZINC000898090205 619211630 /nfs/dbraw/zinc/21/16/30/619211630.db2.gz AUXVQRRNIMPTKU-QGZVFWFLSA-N 0 0 314.433 3.221 20 10 DGCDRN Oc1ccc(Cl)cc1CNc1ccnn1[C@H]1CCCOC1 ZINC000898094845 619211959 /nfs/dbraw/zinc/21/19/59/619211959.db2.gz HONOIXPCLWSJHZ-ZDUSSCGKSA-N 0 0 307.781 3.206 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000898142801 619218171 /nfs/dbraw/zinc/21/81/71/619218171.db2.gz SNFRPZXYBVAVML-NVXWUHKLSA-N 0 0 317.816 3.081 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000898215792 619222333 /nfs/dbraw/zinc/22/23/33/619222333.db2.gz QXEWSXZBBBPMLY-MAZHCROVSA-N 0 0 307.821 3.483 20 10 DGCDRN COC(=O)c1cc(C[NH2+]Cc2cccc(Cl)c2[O-])oc1C ZINC000898218343 619222354 /nfs/dbraw/zinc/22/23/54/619222354.db2.gz FHIHVSWYOCPROL-UHFFFAOYSA-N 0 0 309.749 3.023 20 10 DGCDRN Cn1cc(C[NH2+]Cc2cccc(Cl)c2[O-])c(C(C)(C)C)n1 ZINC000898218822 619222740 /nfs/dbraw/zinc/22/27/40/619222740.db2.gz PZGIYKJLEOVZNN-UHFFFAOYSA-N 0 0 307.825 3.366 20 10 DGCDRN COc1cc(C[NH2+]Cc2cccc(Cl)c2[O-])cc2c1OCO2 ZINC000898220072 619222924 /nfs/dbraw/zinc/22/29/24/619222924.db2.gz SYFJANKJSAEBNF-UHFFFAOYSA-N 0 0 321.760 3.073 20 10 DGCDRN COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])[C@H]1C ZINC000898218801 619222957 /nfs/dbraw/zinc/22/29/57/619222957.db2.gz PRPQGFOJXJCGQH-COPLHBTASA-N 0 0 311.809 3.113 20 10 DGCDRN C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cncs1 ZINC000898225844 619229470 /nfs/dbraw/zinc/22/94/70/619229470.db2.gz ITUBURMPJUSPHX-LBPRGKRZSA-N 0 0 318.446 3.112 20 10 DGCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC12CCCC2 ZINC000898268630 619230583 /nfs/dbraw/zinc/23/05/83/619230583.db2.gz INJSEGTYUWPZRK-UHFFFAOYSA-N 0 0 303.383 3.471 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1cc(F)cc(F)c1[O-] ZINC000927108381 619266689 /nfs/dbraw/zinc/26/66/89/619266689.db2.gz NQCGNBADVMUBTG-SECBINFHSA-N 0 0 307.344 3.132 20 10 DGCDRN C[C@@H](NC(=O)NC1CC2(C1)COC(C)(C)C2)c1ccccc1O ZINC000898403497 619270674 /nfs/dbraw/zinc/27/06/74/619270674.db2.gz GFXHHNYXLXPOCW-WHENESEISA-N 0 0 318.417 3.100 20 10 DGCDRN COCC1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCCC1 ZINC000898580458 619287191 /nfs/dbraw/zinc/28/71/91/619287191.db2.gz KPPGKDKFGMXDKH-UHFFFAOYSA-N 0 0 321.398 3.002 20 10 DGCDRN C[C@@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927161167 619306409 /nfs/dbraw/zinc/30/64/09/619306409.db2.gz PGLJVIFFPPSKFU-IAQYHMDHSA-N 0 0 306.362 3.053 20 10 DGCDRN Nc1ccc(OCc2cn(CC3CCC(F)(F)CC3)nn2)cc1 ZINC000881352567 625349819 /nfs/dbraw/zinc/34/98/19/625349819.db2.gz JMZVEPLFOVJVKZ-UHFFFAOYSA-N 0 0 322.359 3.265 20 10 DGCDRN CCCc1ccccc1S(=O)(=O)Nc1ccc(O)cc1C ZINC000901629190 619525450 /nfs/dbraw/zinc/52/54/50/619525450.db2.gz HDVIIYPAAVFHLL-UHFFFAOYSA-N 0 0 305.399 3.454 20 10 DGCDRN CSCc1cn(Cc2ccc(N3CCCCC3)c(C)c2)nn1 ZINC000881379357 625356742 /nfs/dbraw/zinc/35/67/42/625356742.db2.gz PLHWNUSRAWCUJN-UHFFFAOYSA-N 0 0 316.474 3.488 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1)c1c([O-])cccc1F ZINC000903176584 619730228 /nfs/dbraw/zinc/73/02/28/619730228.db2.gz QOKTVZBHBKXICI-SBMIAAHKSA-N 0 0 307.287 3.292 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1)c1ccc(F)cc1[O-] ZINC000903179568 619731515 /nfs/dbraw/zinc/73/15/15/619731515.db2.gz QRKWEUKMYXKFHD-PLMOITTCSA-N 0 0 307.287 3.292 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cc(N(C)C)ccn1)c1ccc(F)cc1[O-] ZINC000903198582 619735060 /nfs/dbraw/zinc/73/50/60/619735060.db2.gz MOBFWRVLOKOVPW-MRXNPFEDSA-N 0 0 303.381 3.233 20 10 DGCDRN C[C@@H](NCc1nc(CN(C)C)cs1)c1ccc(N(C)C)cc1 ZINC000903226666 619737967 /nfs/dbraw/zinc/73/79/67/619737967.db2.gz PDSKGPFKWXSXJE-CYBMUJFWSA-N 0 0 318.490 3.122 20 10 DGCDRN C[C@H]([NH2+][C@@H](CO)CCc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000903292176 619752051 /nfs/dbraw/zinc/75/20/51/619752051.db2.gz CUOBGAGPDSYWJP-SWLSCSKDSA-N 0 0 321.367 3.315 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1C)c1cccc(C(F)(F)F)c1[O-] ZINC000903301266 619753928 /nfs/dbraw/zinc/75/39/28/619753928.db2.gz PETLODFUGRKBOU-CWSCBRNRSA-N 0 0 302.340 3.154 20 10 DGCDRN C[C@H](NCc1cc(C(F)(F)F)n(C)n1)c1cc(F)ccc1O ZINC000903340787 619760482 /nfs/dbraw/zinc/76/04/82/619760482.db2.gz JPHGQIXGUZOURO-QMMMGPOBSA-N 0 0 317.286 3.134 20 10 DGCDRN C[C@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)c1cc(F)cc(F)c1[O-] ZINC000903364367 619765866 /nfs/dbraw/zinc/76/58/66/619765866.db2.gz XQFSKIUUMPBKKP-XMZIXOGTSA-N 0 0 309.356 3.280 20 10 DGCDRN COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000903450366 619778479 /nfs/dbraw/zinc/77/84/79/619778479.db2.gz GMHHJIOTTIWGIU-WZRBSPASSA-N 0 0 311.809 3.428 20 10 DGCDRN CCC(CC)(CNC(=O)c1c(F)ccc(O)c1O)C(F)(F)F ZINC000881431838 625370447 /nfs/dbraw/zinc/37/04/47/625370447.db2.gz DPWIFHYAVLMXGJ-UHFFFAOYSA-N 0 0 323.286 3.335 20 10 DGCDRN Nc1ccc(Cc2noc(-c3cnc(CC4CC4)s3)n2)cc1 ZINC000904076979 619871343 /nfs/dbraw/zinc/87/13/43/619871343.db2.gz MBPCJTSNGAGKEP-UHFFFAOYSA-N 0 0 312.398 3.319 20 10 DGCDRN Cc1cccc(C)c1C[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000904439604 619922758 /nfs/dbraw/zinc/92/27/58/619922758.db2.gz OQCPTKFJBRQZPJ-SFHVURJKSA-N 0 0 313.397 3.067 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C\c1ccc2oncc2c1 ZINC000905070330 619970448 /nfs/dbraw/zinc/97/04/48/619970448.db2.gz LHDBXUKGIMAKPA-ZROIWOOFSA-N 0 0 313.382 3.284 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C)[C@@H]2CCCO2)cc1 ZINC000905456191 620001117 /nfs/dbraw/zinc/00/11/17/620001117.db2.gz CVZXARFSYOFUQK-YJBOKZPZSA-N 0 0 318.461 3.306 20 10 DGCDRN C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[C@H]1CCCO1 ZINC000905960526 620047680 /nfs/dbraw/zinc/04/76/80/620047680.db2.gz YWDQCKIZQFPJNO-RDTXWAMCSA-N 0 0 316.445 3.059 20 10 DGCDRN COc1ccc(N(Cc2cn(C3CC3)nn2)CC(C)C)cc1 ZINC000906278514 620079886 /nfs/dbraw/zinc/07/98/86/620079886.db2.gz ZYQFCAHZADKARE-UHFFFAOYSA-N 0 0 300.406 3.284 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2[nH]ccc2n1 ZINC000906428806 620097459 /nfs/dbraw/zinc/09/74/59/620097459.db2.gz WCUXKFAENOFUPV-UHFFFAOYSA-N 0 0 322.412 3.291 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2c(C)cc(C)nc2C)c1 ZINC000907060881 620136067 /nfs/dbraw/zinc/13/60/67/620136067.db2.gz PZLHKAKRQUNGDH-LBPRGKRZSA-N 0 0 314.385 3.212 20 10 DGCDRN O=C(NCc1cc(Br)ccc1O)C1(C2CC2)CCC1 ZINC000908169856 620191724 /nfs/dbraw/zinc/19/17/24/620191724.db2.gz BJIKFEYPNXWDSB-UHFFFAOYSA-N 0 0 324.218 3.351 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000910950148 620318618 /nfs/dbraw/zinc/31/86/18/620318618.db2.gz DETHFAQFAAKJDJ-FXAWDEMLSA-N 0 0 323.392 3.008 20 10 DGCDRN O=C(CC[C@@H]1CCc2ccccc21)NCc1ccc(O)cc1O ZINC000910955829 620318844 /nfs/dbraw/zinc/31/88/44/620318844.db2.gz GQMLIIXOYPMILW-AWEZNQCLSA-N 0 0 311.381 3.224 20 10 DGCDRN CC[C@@H](Cc1ccccc1C)C(=O)NCc1ccc(O)cc1O ZINC000910945386 620319675 /nfs/dbraw/zinc/31/96/75/620319675.db2.gz UONPYDAMOOAOFJ-AWEZNQCLSA-N 0 0 313.397 3.291 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000910946370 620319900 /nfs/dbraw/zinc/31/99/00/620319900.db2.gz NHZJORZRPPNYEQ-VBNZEHGJSA-N 0 0 303.402 3.321 20 10 DGCDRN CCOc1ccc(N(C)Cc2nc([C@H](C)OCC)no2)cc1 ZINC000150733419 620388135 /nfs/dbraw/zinc/38/81/35/620388135.db2.gz KJQDSWRFCUOJAV-LBPRGKRZSA-N 0 0 305.378 3.202 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000912653753 620399749 /nfs/dbraw/zinc/39/97/49/620399749.db2.gz UMNPYASLJRWRHY-UHFFFAOYSA-N 0 0 318.354 3.345 20 10 DGCDRN CC(=O)Nc1cccc(NC(=S)NNc2cccc(C)c2)c1 ZINC000913139348 620424380 /nfs/dbraw/zinc/42/43/80/620424380.db2.gz PZIFJXLCTVSHOC-UHFFFAOYSA-N 0 0 314.414 3.267 20 10 DGCDRN COc1ccc(O)c(CNC(=O)C(C)(C)c2ccc(F)cc2)c1 ZINC000151734556 620472810 /nfs/dbraw/zinc/47/28/10/620472810.db2.gz GNPDYUZTBQNHHT-UHFFFAOYSA-N 0 0 317.360 3.134 20 10 DGCDRN CC(C)(C)CCNC(=O)COc1ccc(N2CCCC2)cc1 ZINC000152006447 620487621 /nfs/dbraw/zinc/48/76/21/620487621.db2.gz BLJFDOMBNPMFFR-UHFFFAOYSA-N 0 0 304.434 3.218 20 10 DGCDRN CC(C)SCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000914469881 620537240 /nfs/dbraw/zinc/53/72/40/620537240.db2.gz JIFJGLPCUJMDEM-UHFFFAOYSA-N 0 0 306.475 3.385 20 10 DGCDRN CCN(CCOC)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000914509854 620539686 /nfs/dbraw/zinc/53/96/86/620539686.db2.gz FLGCOCSLUWFKOD-UHFFFAOYSA-N 0 0 318.392 3.342 20 10 DGCDRN CCc1cccc(OC[C@H](O)CNc2ccccc2OC)c1 ZINC000032186256 620553167 /nfs/dbraw/zinc/55/31/67/620553167.db2.gz UINPUZUVUGUBTM-OAHLLOKOSA-N 0 0 301.386 3.109 20 10 DGCDRN COc1ccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)cn1 ZINC000914846563 620557040 /nfs/dbraw/zinc/55/70/40/620557040.db2.gz PJTDTPREAFEKOB-UHFFFAOYSA-N 0 0 322.368 3.145 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CC(Cc2ccccc2Cl)C1 ZINC000754494725 620557105 /nfs/dbraw/zinc/55/71/05/620557105.db2.gz ZQFLPBLCHROUFC-UHFFFAOYSA-N 0 0 307.802 3.422 20 10 DGCDRN COc1ccccc1-c1nnc(Sc2nccs2)n1C ZINC000914862415 620558297 /nfs/dbraw/zinc/55/82/97/620558297.db2.gz CFEMBJJRPIIKAO-UHFFFAOYSA-N 0 0 304.400 3.098 20 10 DGCDRN O=C(/C=C\c1cccnc1)N1CCCc2c(F)cc(F)cc21 ZINC000915158155 620570763 /nfs/dbraw/zinc/57/07/63/620570763.db2.gz CBORUWRZKJFFIN-WAYWQWQTSA-N 0 0 300.308 3.352 20 10 DGCDRN COC(=O)c1ccnc(NCc2ccc(N3CCCC3)cc2)c1 ZINC000915212077 620572780 /nfs/dbraw/zinc/57/27/80/620572780.db2.gz WNPJGHFVOBFPSH-UHFFFAOYSA-N 0 0 311.385 3.081 20 10 DGCDRN CSC1CCC(CNC(=O)NCc2ccccc2O)CC1 ZINC000915516545 620588656 /nfs/dbraw/zinc/58/86/56/620588656.db2.gz AURSBRUYZLWHHL-UHFFFAOYSA-N 0 0 308.447 3.113 20 10 DGCDRN CCCN1C(=O)c2ccccc2N[C@@H]1c1cc(OC)ccc1O ZINC000916232027 620621672 /nfs/dbraw/zinc/62/16/72/620621672.db2.gz FFUMPRMHCDRAFF-KRWDZBQOSA-N 0 0 312.369 3.377 20 10 DGCDRN CCN(C[C@@H](O)c1ccccc1F)c1ccc(OC)c(OC)c1 ZINC000921061267 620835790 /nfs/dbraw/zinc/83/57/90/620835790.db2.gz ANLHWHSOOLDJIL-MRXNPFEDSA-N 0 0 319.376 3.403 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCC1CSC1 ZINC000854876758 620848228 /nfs/dbraw/zinc/84/82/28/620848228.db2.gz JWGXJOTUZFZQHO-UHFFFAOYSA-N 0 0 306.456 3.248 20 10 DGCDRN Cc1ccc(C(=O)N2CCc3ccsc3[C@@H]2C)c(O)c1O ZINC000921510475 620879238 /nfs/dbraw/zinc/87/92/38/620879238.db2.gz WMVSRFQQXWDIQS-JTQLQIEISA-N 0 0 303.383 3.227 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)[C@@]3(C)CC=CCC3)C2)cc1 ZINC000855222818 620881407 /nfs/dbraw/zinc/88/14/07/620881407.db2.gz AZNGIKDQTGVCOK-BEFAXECRSA-N 0 0 314.429 3.137 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)C3(F)CCCCC3)C2)cc1 ZINC000855225296 620881640 /nfs/dbraw/zinc/88/16/40/620881640.db2.gz JNHAWYAYAJKJNQ-CQSZACIVSA-N 0 0 320.408 3.063 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)CCCC(C)C)C2)cc1 ZINC000855224039 620881698 /nfs/dbraw/zinc/88/16/98/620881698.db2.gz DTCCWDYREGCHQV-OAHLLOKOSA-N 0 0 304.434 3.216 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@H]3CC(C)C)C2)cc1 ZINC000855224785 620881770 /nfs/dbraw/zinc/88/17/70/620881770.db2.gz HCMIIVZBCHKWJY-RVKKMQEKSA-N 0 0 316.445 3.072 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)CC(C)(C)C)C2)cc1 ZINC000855225975 620881800 /nfs/dbraw/zinc/88/18/00/620881800.db2.gz MMCMGSPPHYXBAE-HUUCEWRRSA-N 0 0 318.461 3.462 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)c3csc(C)c3)C2)cc1 ZINC000855223206 620881949 /nfs/dbraw/zinc/88/19/49/620881949.db2.gz CLNKUFPZABJVQT-CQSZACIVSA-N 0 0 316.426 3.074 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)C(C)(C)C3CCC3)C2)cc1 ZINC000855227574 620882319 /nfs/dbraw/zinc/88/23/19/620882319.db2.gz YCTFJXUXRHBRBH-OAHLLOKOSA-N 0 0 316.445 3.216 20 10 DGCDRN CCC[C@@H](C)CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855229339 620882332 /nfs/dbraw/zinc/88/23/32/620882332.db2.gz ITIVAIHTRBYVGO-HUUCEWRRSA-N 0 0 304.434 3.216 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)CCC3CCCC3)C2)cc1 ZINC000855234616 620882734 /nfs/dbraw/zinc/88/27/34/620882734.db2.gz HBKWGCHHRXIGQZ-INIZCTEOSA-N 0 0 316.445 3.361 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)/C=C/c3ccccc3)C2)cc1 ZINC000855234515 620882913 /nfs/dbraw/zinc/88/29/13/620882913.db2.gz CCZFNFWLWFAKAZ-CRVDFBCUSA-N 0 0 322.408 3.104 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)CO[C@H]2CCCC[C@@H]2C)c1 ZINC000113429551 620909693 /nfs/dbraw/zinc/90/96/93/620909693.db2.gz UYILMSSNWXKEOY-DCGLDWPTSA-N 0 0 321.417 3.173 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@]3(C)C2)cc1 ZINC000855841256 620941118 /nfs/dbraw/zinc/94/11/18/620941118.db2.gz KHLUOQHZBKUUAP-XLIONFOSSA-N 0 0 324.424 3.203 20 10 DGCDRN Cc1ccc(C(=O)NC2CCC3(CC3(F)F)CC2)c(O)c1O ZINC000855960256 620953307 /nfs/dbraw/zinc/95/33/07/620953307.db2.gz KUVGUSYTHFASRB-UHFFFAOYSA-N 0 0 311.328 3.104 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H](C2CCC2)C1 ZINC000856171858 620968398 /nfs/dbraw/zinc/96/83/98/620968398.db2.gz BBVBSVPJAZZOIW-LOWQCSRCSA-N 0 0 301.386 3.150 20 10 DGCDRN CCC[C@H](C)CC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856210832 620972654 /nfs/dbraw/zinc/97/26/54/620972654.db2.gz SBGGPUFTLUFGGW-HNNXBMFYSA-N 0 0 318.461 3.090 20 10 DGCDRN CCC(C)(C)CC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856211366 620972754 /nfs/dbraw/zinc/97/27/54/620972754.db2.gz NOGYZEJGDDKPTO-UHFFFAOYSA-N 0 0 318.461 3.090 20 10 DGCDRN C[C@@H](NC(=O)N[C@H]1CCS[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000922054873 620984165 /nfs/dbraw/zinc/98/41/65/620984165.db2.gz MQWRRXZBYLACEE-NFAWXSAZSA-N 0 0 321.490 3.397 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NCc2ccc(Cl)cc2)c1 ZINC000114512492 621008379 /nfs/dbraw/zinc/00/83/79/621008379.db2.gz ICVTWWIXSFRKDZ-UHFFFAOYSA-N 0 0 320.776 3.054 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Cc2c(C)[nH]c3ccccc32)c1 ZINC000114543616 621009412 /nfs/dbraw/zinc/00/94/12/621009412.db2.gz LQXGBVAUCYPDMB-UHFFFAOYSA-N 0 0 324.380 3.049 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2ccc(C)c(F)c2)c1 ZINC000114565517 621015440 /nfs/dbraw/zinc/01/54/40/621015440.db2.gz DHQWIZPJPPYNRH-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN O=C(NCC[C@H]1CC1(F)F)NCc1c(O)ccc2c1CCCC2 ZINC000856883308 621030856 /nfs/dbraw/zinc/03/08/56/621030856.db2.gz GVVSPVCFJHLKIA-LBPRGKRZSA-N 0 0 324.371 3.116 20 10 DGCDRN Cc1ccccc1NC(=S)NNc1ccc2c(cc[nH]c2=O)c1 ZINC000789320111 625459119 /nfs/dbraw/zinc/45/91/19/625459119.db2.gz OUMTXZGRALNGKR-UHFFFAOYSA-N 0 0 324.409 3.150 20 10 DGCDRN COCC1(C(=O)NCc2ccc(N(C)C)c(F)c2)CCCCC1 ZINC000857086648 621057089 /nfs/dbraw/zinc/05/70/89/621057089.db2.gz OXRNLASFXQFPBX-UHFFFAOYSA-N 0 0 322.424 3.105 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C1(c2ccccc2)CC1 ZINC000115279732 621092753 /nfs/dbraw/zinc/09/27/53/621092753.db2.gz XVPBOAATKBIHFQ-UHFFFAOYSA-N 0 0 308.425 3.409 20 10 DGCDRN Cc1ccc(F)c(C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000115279802 621092865 /nfs/dbraw/zinc/09/28/65/621092865.db2.gz IXQHDSKMZCQGBM-UHFFFAOYSA-N 0 0 300.377 3.439 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CCCc1ccccn1 ZINC000115280160 621092921 /nfs/dbraw/zinc/09/29/21/621092921.db2.gz CRXOQXDLVJHZKQ-UHFFFAOYSA-N 0 0 311.429 3.095 20 10 DGCDRN CSc1cc(C(=O)NCc2ccc(N(C)C)cc2C)ccn1 ZINC000115280082 621092989 /nfs/dbraw/zinc/09/29/89/621092989.db2.gz ITCXZCSCTSNFMG-UHFFFAOYSA-N 0 0 315.442 3.108 20 10 DGCDRN O=C(CCOc1ccc(F)cc1)NCc1cc(Cl)ccc1O ZINC000857547638 621094945 /nfs/dbraw/zinc/09/49/45/621094945.db2.gz NOHURDXLXMIBHS-UHFFFAOYSA-N 0 0 323.751 3.270 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)C(F)(F)c1ccccc1 ZINC000857547639 621094989 /nfs/dbraw/zinc/09/49/89/621094989.db2.gz NOMFAIKUXGVRFU-UHFFFAOYSA-N 0 0 311.715 3.454 20 10 DGCDRN Cc1ccc(F)c(CC(=O)NCc2cc(Cl)ccc2O)c1 ZINC000857548523 621095273 /nfs/dbraw/zinc/09/52/73/621095273.db2.gz MHPQQVVHQAFJFO-UHFFFAOYSA-N 0 0 307.752 3.352 20 10 DGCDRN Cc1csc(NC(=O)NCCCSc2nccs2)n1 ZINC000115633150 621119624 /nfs/dbraw/zinc/11/96/24/621119624.db2.gz DXYNWTNUEDQMJN-UHFFFAOYSA-N 0 0 314.461 3.212 20 10 DGCDRN Cc1ccc(CNC(=O)NCc2ccc(N(C)C)cc2C)s1 ZINC000115656585 621120927 /nfs/dbraw/zinc/12/09/27/621120927.db2.gz OMRFNWGZOSWXGR-UHFFFAOYSA-N 0 0 317.458 3.430 20 10 DGCDRN COc1ccccc1NC(=O)NCc1ccc(N(C)C)cc1C ZINC000115640457 621120972 /nfs/dbraw/zinc/12/09/72/621120972.db2.gz BWJGZARBKQZAEC-UHFFFAOYSA-N 0 0 313.401 3.391 20 10 DGCDRN Cc1cnc(NC(=O)NCc2ccc(N(C)C)cc2C)s1 ZINC000115640478 621120976 /nfs/dbraw/zinc/12/09/76/621120976.db2.gz VEDNUEPLQJNLHK-UHFFFAOYSA-N 0 0 304.419 3.148 20 10 DGCDRN CCN(CC)C(=O)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774142072 621123749 /nfs/dbraw/zinc/12/37/49/621123749.db2.gz XOMFUYSUUKGWFV-VIFPVBQESA-N 0 0 319.232 3.218 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1cc(F)cc(F)c1[O-] ZINC000756477249 621125918 /nfs/dbraw/zinc/12/59/18/621125918.db2.gz XDSFEVWLQLDOCG-BJOHPYRUSA-N 0 0 311.303 3.194 20 10 DGCDRN CC(C)[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)c1cnn(C)c1 ZINC000922896265 621127286 /nfs/dbraw/zinc/12/72/86/621127286.db2.gz XCHZQRVZAONDGW-OAHLLOKOSA-N 0 0 311.788 3.405 20 10 DGCDRN COc1cccc(CNC(=O)C[C@H]2CCc3ccccc32)c1O ZINC000115712023 621128739 /nfs/dbraw/zinc/12/87/39/621128739.db2.gz WNFNFIZBDWFZKP-CQSZACIVSA-N 0 0 311.381 3.137 20 10 DGCDRN COCCOCCOc1cccc(NCc2ccccc2O)c1 ZINC000922904952 621129626 /nfs/dbraw/zinc/12/96/26/621129626.db2.gz LPCFBTCUUFMNSP-UHFFFAOYSA-N 0 0 317.385 3.046 20 10 DGCDRN CN(C)c1ccc(/C=C\C[NH2+]Cc2cc(C3CC3)n(C)n2)cc1 ZINC000922953710 621136945 /nfs/dbraw/zinc/13/69/45/621136945.db2.gz SARYBCIJEWAACJ-PLNGDYQASA-N 0 0 310.445 3.167 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C)Cc1ccccc1 ZINC000115855863 621152695 /nfs/dbraw/zinc/15/26/95/621152695.db2.gz UAWSNIAXOICMQZ-UHFFFAOYSA-N 0 0 311.429 3.403 20 10 DGCDRN CC(C)n1ccc(CNCc2cc(F)c(N(C)C)cc2F)n1 ZINC000858141747 621157280 /nfs/dbraw/zinc/15/72/80/621157280.db2.gz SEIXSSQHZGKSKP-UHFFFAOYSA-N 0 0 308.376 3.098 20 10 DGCDRN CC[C@@H](C)C(=O)Nc1ccc(O)c(CNC(=O)[C@@H](C)CC)c1 ZINC000923125289 621160235 /nfs/dbraw/zinc/16/02/35/621160235.db2.gz BWLMCKOAKLBOTJ-NWDGAFQWSA-N 0 0 306.406 3.039 20 10 DGCDRN Cc1cc(CNCc2cn(C)cn2)c(C)n1-c1cccc(C)c1 ZINC000858292790 621172543 /nfs/dbraw/zinc/17/25/43/621172543.db2.gz FTLHOYJOSXBFFL-UHFFFAOYSA-N 0 0 308.429 3.426 20 10 DGCDRN CCOCCC1(CNC(=O)NCc2cc(C)ccc2O)CCC1 ZINC000858302799 621173356 /nfs/dbraw/zinc/17/33/56/621173356.db2.gz LCDZATKHQSBFSL-UHFFFAOYSA-N 0 0 320.433 3.097 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)c2cnn(C3CC3)c2)C2CC2)cc1 ZINC000858341224 621178328 /nfs/dbraw/zinc/17/83/28/621178328.db2.gz CXJFFBIKRAHTTL-UHFFFAOYSA-N 0 0 324.428 3.089 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@H](OC(C)C)C2(C)C)c1 ZINC000858363380 621181297 /nfs/dbraw/zinc/18/12/97/621181297.db2.gz IRDOIHCNGXJQQV-HOTGVXAUSA-N 0 0 320.433 3.092 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@@H](OC(C)C)C2(C)C)c1 ZINC000858363382 621181381 /nfs/dbraw/zinc/18/13/81/621181381.db2.gz IRDOIHCNGXJQQV-JKSUJKDBSA-N 0 0 320.433 3.092 20 10 DGCDRN CCC[C@@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)OCC ZINC000858368911 621181859 /nfs/dbraw/zinc/18/18/59/621181859.db2.gz PJAHNARWBGURRE-PBHICJAKSA-N 0 0 321.465 3.318 20 10 DGCDRN COC1(CNC(=O)NCc2cc(C)ccc2O)CCC(C)CC1 ZINC000858412525 621187131 /nfs/dbraw/zinc/18/71/31/621187131.db2.gz MVPVDZIUPQFQDF-UHFFFAOYSA-N 0 0 320.433 3.095 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1ccc(F)cc1[O-] ZINC000858453386 621193008 /nfs/dbraw/zinc/19/30/08/621193008.db2.gz KQJQNBLVBZPOAE-LRDDRELGSA-N 0 0 301.361 3.323 20 10 DGCDRN COc1cc(N[C@@H](C)c2ccc(N(C)C)cc2)cnc1OC ZINC000858481537 621196544 /nfs/dbraw/zinc/19/65/44/621196544.db2.gz JEMSGOLFCGRFIH-LBPRGKRZSA-N 0 0 301.390 3.338 20 10 DGCDRN Cc1cocc1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000858590374 621207604 /nfs/dbraw/zinc/20/76/04/621207604.db2.gz VMNSEZPEQWLHHC-UHFFFAOYSA-N 0 0 316.426 3.071 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc1 ZINC000858605347 621209334 /nfs/dbraw/zinc/20/93/34/621209334.db2.gz RTSJRAJLGZDTFM-BSXFFOKHSA-N 0 0 318.461 3.209 20 10 DGCDRN COc1ccc(N2CC[C@@H](Nc3nc(Cl)cs3)C2)cc1 ZINC000858621181 621210359 /nfs/dbraw/zinc/21/03/59/621210359.db2.gz NTEZGSCOUHNEPX-SNVBAGLBSA-N 0 0 309.822 3.496 20 10 DGCDRN CCC[C@H](OCC)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000858825949 621223175 /nfs/dbraw/zinc/22/31/75/621223175.db2.gz AYFBFQUCSIPLGM-KRWDZBQOSA-N 0 0 306.450 3.306 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000858827083 621223202 /nfs/dbraw/zinc/22/32/02/621223202.db2.gz VFOGPUOEVNCGNV-XSWJXKHESA-N 0 0 318.461 3.161 20 10 DGCDRN COC(=O)CCCCN1CCCc2cc(OC(F)F)ccc21 ZINC000859174231 621257067 /nfs/dbraw/zinc/25/70/67/621257067.db2.gz WXYQOKBLSNEGAW-UHFFFAOYSA-N 0 0 313.344 3.384 20 10 DGCDRN COC[C@@H]1CCCCN1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000838558893 621263003 /nfs/dbraw/zinc/26/30/03/621263003.db2.gz HQXBWCIHLRHLDL-YOEHRIQHSA-N 0 0 319.449 3.024 20 10 DGCDRN COC1CCC(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000838559716 621263092 /nfs/dbraw/zinc/26/30/92/621263092.db2.gz OYQYYMIJMSECEO-KTAKPFMOSA-N 0 0 319.449 3.070 20 10 DGCDRN CC[C@H]1CC[C@H](NC(=O)NCc2cccc(OC)c2O)CC1 ZINC000838601062 621266461 /nfs/dbraw/zinc/26/64/61/621266461.db2.gz DZKXODLRZJVWCQ-MQMHXKEQSA-N 0 0 306.406 3.169 20 10 DGCDRN CC/C=C\CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000838656720 621267005 /nfs/dbraw/zinc/26/70/05/621267005.db2.gz AIMBENMUZSKPOB-WAYWQWQTSA-N 0 0 301.434 3.393 20 10 DGCDRN CC[C@@H]1C[C@H]1CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000838665556 621270896 /nfs/dbraw/zinc/27/08/96/621270896.db2.gz OVISQCBGAYWFEN-CVEARBPZSA-N 0 0 315.461 3.473 20 10 DGCDRN C[C@@H](CC(=O)NCCCSc1nccs1)C(F)(F)F ZINC000859353065 621271543 /nfs/dbraw/zinc/27/15/43/621271543.db2.gz ZJLZRAYJQVQFKH-QMMMGPOBSA-N 0 0 312.382 3.330 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2C[C@@]2(C)C(C)C)c1 ZINC000838766086 621276157 /nfs/dbraw/zinc/27/61/57/621276157.db2.gz STCYJQAWGIEFES-CXMBCZLWSA-N 0 0 306.406 3.196 20 10 DGCDRN Nc1ccc(CNC(=O)[C@H]2[C@@H]3c4ccc(Cl)cc4C[C@H]23)cc1 ZINC000859593938 621296691 /nfs/dbraw/zinc/29/66/91/621296691.db2.gz LLRZNQKFFAXACH-GVDBMIGSSA-N 0 0 312.800 3.124 20 10 DGCDRN COc1ccc(N2CCN(C[C@H]3CC3(Cl)Cl)CC2)cc1 ZINC000838900923 621301338 /nfs/dbraw/zinc/30/13/38/621301338.db2.gz QTRDVLCVKFTQET-GFCCVEGCSA-N 0 0 315.244 3.011 20 10 DGCDRN COc1cc(Cl)cc(CN2CC(CC(F)(F)F)C2)c1O ZINC000839139270 621340523 /nfs/dbraw/zinc/34/05/23/621340523.db2.gz ZOSZXESNMCFORH-UHFFFAOYSA-N 0 0 309.715 3.438 20 10 DGCDRN Cc1ncc(C[NH2+]Cc2cc(C)cc(Br)c2[O-])o1 ZINC000839169799 621342127 /nfs/dbraw/zinc/34/21/27/621342127.db2.gz JHGHUAJZOUCHKO-UHFFFAOYSA-N 0 0 311.179 3.049 20 10 DGCDRN COc1cc(O)c(CN2Cc3cccc(F)c3C2)cc1OC ZINC000839181872 621343726 /nfs/dbraw/zinc/34/37/26/621343726.db2.gz DZJKKLMDBQGHPU-UHFFFAOYSA-N 0 0 303.333 3.064 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cccc(OC(C)(C)C)n1 ZINC000860048391 621358288 /nfs/dbraw/zinc/35/82/88/621358288.db2.gz UNVNBWGBECFKLX-UHFFFAOYSA-N 0 0 314.385 3.237 20 10 DGCDRN Cc1cc2cc(CNC(=O)/C=C/c3ccc(O)c(O)c3)ccc2[nH]1 ZINC000804886870 621385691 /nfs/dbraw/zinc/38/56/91/621385691.db2.gz RXOVVNJLKCNEON-QPJJXVBHSA-N 0 0 322.364 3.217 20 10 DGCDRN COc1cccc(CNC(=O)CC2CCC(F)(F)CC2)c1O ZINC000860241450 621385846 /nfs/dbraw/zinc/38/58/46/621385846.db2.gz RMCSFSZVCZJUBM-UHFFFAOYSA-N 0 0 313.344 3.233 20 10 DGCDRN CC[C@@H](CNC(=O)C1=CC(=O)CS1)Oc1ccccc1C ZINC000752815142 621411459 /nfs/dbraw/zinc/41/14/59/621411459.db2.gz BCHAPAQZECXAOK-ZDUSSCGKSA-N 0 0 305.399 3.350 20 10 DGCDRN Cc1cc(NC(=O)c2ccc(C)c(O)c2O)nn1[C@H](C)C1CC1 ZINC000752820393 621411877 /nfs/dbraw/zinc/41/18/77/621411877.db2.gz MALBPKLBRUGKDY-LLVKDONJSA-N 0 0 315.373 3.134 20 10 DGCDRN C[C@H](NC(=O)C1=CC(=O)CS1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000752824821 621412425 /nfs/dbraw/zinc/41/24/25/621412425.db2.gz ZUPOJUXKVUSTLM-HFBDOXOYSA-N 0 0 303.383 3.137 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)NCC2(C)CC2)C2CC2)cc1 ZINC000753020272 621420928 /nfs/dbraw/zinc/42/09/28/621420928.db2.gz HSXAMOQWJGVYNL-UHFFFAOYSA-N 0 0 301.434 3.227 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC=CCC1 ZINC000860647345 621428171 /nfs/dbraw/zinc/42/81/71/621428171.db2.gz XNQYRSFIBQFXPU-UHFFFAOYSA-N 0 0 308.381 3.309 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CC[C@@H](C(C)(C)C)C2)cc1F ZINC000753152628 621428343 /nfs/dbraw/zinc/42/83/43/621428343.db2.gz YEGNHBAQHUGRAN-CQSZACIVSA-N 0 0 321.440 3.469 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)nc1 ZINC000753288248 621436145 /nfs/dbraw/zinc/43/61/45/621436145.db2.gz PUYRNGLIKMZOMI-UHFFFAOYSA-N 0 0 309.413 3.310 20 10 DGCDRN COCCCONC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC000805039638 621437507 /nfs/dbraw/zinc/43/75/07/621437507.db2.gz INJXSPQBQRASFW-UHFFFAOYSA-N 0 0 316.401 3.100 20 10 DGCDRN COc1ccc(N2CCN(C(=O)/C=C3/CC[C@@H](C)C3)CC2)cc1 ZINC000753561963 621448717 /nfs/dbraw/zinc/44/87/17/621448717.db2.gz FUXFWIIOTNXETP-VZHUHSAUSA-N 0 0 314.429 3.090 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C2CC(F)(F)C2)cc1F ZINC000753606538 621453924 /nfs/dbraw/zinc/45/39/24/621453924.db2.gz AQDLVLPAHCGGFR-UHFFFAOYSA-N 0 0 314.351 3.333 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)c1ccsc1 ZINC000753639780 621457254 /nfs/dbraw/zinc/45/72/54/621457254.db2.gz CQNWHCLAKAHEFV-MNOVXSKESA-N 0 0 305.399 3.010 20 10 DGCDRN Cc1cc(C(=O)N2CC3(CC(F)C3)C2)c(C)n1-c1ccccn1 ZINC000753663306 621458316 /nfs/dbraw/zinc/45/83/16/621458316.db2.gz FRNJUQQYBXFLLU-UHFFFAOYSA-N 0 0 313.376 3.063 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H](C(C)(C)C)C(F)(F)F)c1 ZINC000860966335 621463608 /nfs/dbraw/zinc/46/36/08/621463608.db2.gz VSAZFJHEHVADTA-GFCCVEGCSA-N 0 0 318.339 3.477 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2cnn([C@H](C)C3CC3)c2)c1 ZINC000860978523 621465243 /nfs/dbraw/zinc/46/52/43/621465243.db2.gz MXWZHZITVHLSND-GFCCVEGCSA-N 0 0 314.389 3.190 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2cnn([C@@H](C)C3CC3)c2)c1 ZINC000860978524 621465352 /nfs/dbraw/zinc/46/53/52/621465352.db2.gz MXWZHZITVHLSND-LBPRGKRZSA-N 0 0 314.389 3.190 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Cc2ccc(C)o2)cc1F ZINC000754018839 621480546 /nfs/dbraw/zinc/48/05/46/621480546.db2.gz QABLSVPUSVVNIF-UHFFFAOYSA-N 0 0 318.392 3.432 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC(C)(C)C2)c1 ZINC000861405857 621513018 /nfs/dbraw/zinc/51/30/18/621513018.db2.gz VBLSUVHVQXGCKU-UHFFFAOYSA-N 0 0 310.397 3.389 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2[C@H](C)C[C@H]2C)cc1 ZINC000861438812 621514556 /nfs/dbraw/zinc/51/45/56/621514556.db2.gz OWOOKFMETCNJMC-ZIAGYGMSSA-N 0 0 324.424 3.458 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC(C)(F)C2)c1 ZINC000861434706 621514713 /nfs/dbraw/zinc/51/47/13/621514713.db2.gz ROSQLVYBVFKEIH-UHFFFAOYSA-N 0 0 314.360 3.091 20 10 DGCDRN COc1ccc(CNC(=O)CC2CCC(F)(F)CC2)c(O)c1 ZINC000861489924 621517714 /nfs/dbraw/zinc/51/77/14/621517714.db2.gz LYUHNECVVXTEEY-UHFFFAOYSA-N 0 0 313.344 3.233 20 10 DGCDRN COc1ccc(CNC(=O)CCCCCCSC)c(O)c1 ZINC000861489657 621517782 /nfs/dbraw/zinc/51/77/82/621517782.db2.gz HVOSNOQYTDAZFH-UHFFFAOYSA-N 0 0 311.447 3.331 20 10 DGCDRN Cc1cc(C(=O)NCCOC(C)C)c(C)n1-c1ccc(F)cc1 ZINC000754581936 621518357 /nfs/dbraw/zinc/51/83/57/621518357.db2.gz ARBYZIOUDMIPEK-UHFFFAOYSA-N 0 0 318.392 3.388 20 10 DGCDRN Oc1ccc2ccncc2c1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000754783665 621532189 /nfs/dbraw/zinc/53/21/89/621532189.db2.gz NUFHBTFNXFTLRU-MRXNPFEDSA-N 0 0 312.413 3.189 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCCCF ZINC000861789152 621537968 /nfs/dbraw/zinc/53/79/68/621537968.db2.gz OPGNLORFOYNPHE-UHFFFAOYSA-N 0 0 316.376 3.386 20 10 DGCDRN O=C(C=C(C1CC1)C1CC1)NCc1ccc2cccnc2c1O ZINC000862027893 621551035 /nfs/dbraw/zinc/55/10/35/621551035.db2.gz JBFOYXCYVSYLKN-UHFFFAOYSA-N 0 0 308.381 3.303 20 10 DGCDRN CSCCCCC(=O)NCc1ccc2cccnc2c1O ZINC000862028032 621551080 /nfs/dbraw/zinc/55/10/80/621551080.db2.gz NPPGCCAEDDQLQX-UHFFFAOYSA-N 0 0 304.415 3.090 20 10 DGCDRN O=C(C[C@H]1CCC(F)(F)C1)NCc1ccc2cccnc2c1O ZINC000862026519 621551110 /nfs/dbraw/zinc/55/11/10/621551110.db2.gz QZZAZPUCHQULMQ-LLVKDONJSA-N 0 0 320.339 3.382 20 10 DGCDRN CC(C)(C(=O)NCc1ccc2cccnc2c1O)C(C)(F)F ZINC000862026476 621551302 /nfs/dbraw/zinc/55/13/02/621551302.db2.gz PNMKWQVQVWZIMC-UHFFFAOYSA-N 0 0 308.328 3.238 20 10 DGCDRN CC[C@@H]1CCN(C(=O)NCc2ccc(N(CC)CC)cc2)C1 ZINC000755126574 621553714 /nfs/dbraw/zinc/55/37/14/621553714.db2.gz JJBMHVKDSLJSTC-OAHLLOKOSA-N 0 0 303.450 3.474 20 10 DGCDRN CN(C)c1cc(F)c(CN(CCO)Cc2ccccc2)cc1F ZINC000862212629 621562483 /nfs/dbraw/zinc/56/24/83/621562483.db2.gz UFJMDTPPDGSIEW-UHFFFAOYSA-N 0 0 320.383 3.025 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)C[C@](C)(O)C2CC2)cc1 ZINC000755438771 621573401 /nfs/dbraw/zinc/57/34/01/621573401.db2.gz FGLPIKWCZZPFFK-IBGZPJMESA-N 0 0 318.461 3.042 20 10 DGCDRN COc1ccc(CN(C)Cc2cc(F)c(N(C)C)cc2F)cn1 ZINC000862324676 621574367 /nfs/dbraw/zinc/57/43/67/621574367.db2.gz SANMOBADKCVOPP-UHFFFAOYSA-N 0 0 321.371 3.066 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000862468512 621592898 /nfs/dbraw/zinc/59/28/98/621592898.db2.gz JZLIJJMKVJBCFB-JTQLQIEISA-N 0 0 322.758 3.004 20 10 DGCDRN CCc1cc(Cl)cnc1NCc1cc2c(cc1O)OCO2 ZINC000862533112 621597985 /nfs/dbraw/zinc/59/79/85/621597985.db2.gz LEHLXKLXFQGDDX-UHFFFAOYSA-N 0 0 306.749 3.344 20 10 DGCDRN CCC(O)(CC)C[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000862538909 621598371 /nfs/dbraw/zinc/59/83/71/621598371.db2.gz GGWHXOXWZJTFKH-UHFFFAOYSA-N 0 0 316.239 3.138 20 10 DGCDRN CC(C)[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000755968523 621607222 /nfs/dbraw/zinc/60/72/22/621607222.db2.gz MGTBHYFPVLBSKG-CQSZACIVSA-N 0 0 307.413 3.079 20 10 DGCDRN COc1cccc(CCC(=O)NCc2cc(C)ccc2O)c1F ZINC000862755453 621613663 /nfs/dbraw/zinc/61/36/63/621613663.db2.gz HKWGQPOFGVABFJ-UHFFFAOYSA-N 0 0 317.360 3.097 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2COc3cc(C)c(C)cc32)c1 ZINC000862757190 621613826 /nfs/dbraw/zinc/61/38/26/621613826.db2.gz KQGJQOLWJIZLKH-MRXNPFEDSA-N 0 0 311.381 3.110 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Cc2cccc(OC(C)C)c2)c1 ZINC000862758481 621614236 /nfs/dbraw/zinc/61/42/36/621614236.db2.gz ASGYRTBEFIEQOA-UHFFFAOYSA-N 0 0 313.397 3.347 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)C[C@@H](C)C(=O)c2ccccc2)c1 ZINC000862760278 621614643 /nfs/dbraw/zinc/61/46/43/621614643.db2.gz OYOOKMUGBHYQAX-CQSZACIVSA-N 0 0 311.381 3.226 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)C[C@H]2CCOc3ccccc32)c1 ZINC000862761007 621614694 /nfs/dbraw/zinc/61/46/94/621614694.db2.gz ZVBRWYTVTQRJAC-CQSZACIVSA-N 0 0 311.381 3.273 20 10 DGCDRN COC(=O)/C=C/c1ccc(N2CC[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000756141829 621618088 /nfs/dbraw/zinc/61/80/88/621618088.db2.gz ZAULWCNYPQQALG-HZRUHFOJSA-N 0 0 318.373 3.263 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2cnc(Cl)c(C)c2)c1 ZINC000119177918 621627092 /nfs/dbraw/zinc/62/70/92/621627092.db2.gz AXMGYSZKDYQBKU-UHFFFAOYSA-N 0 0 321.764 3.079 20 10 DGCDRN CC(=O)Nc1ccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756366693 621631750 /nfs/dbraw/zinc/63/17/50/621631750.db2.gz HWUKFLPFFNYOAO-SNVBAGLBSA-N 0 0 320.339 3.480 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)Cc2ccco2)c1 ZINC000756381166 621633436 /nfs/dbraw/zinc/63/34/36/621633436.db2.gz XTRSYBXELXKYOX-NEPJUHHUSA-N 0 0 303.358 3.054 20 10 DGCDRN CC(C)C[C@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])N(C)C ZINC000756400003 621635561 /nfs/dbraw/zinc/63/55/61/621635561.db2.gz SMDNPDMJRKSLTI-DGCLKSJQSA-N 0 0 300.393 3.297 20 10 DGCDRN C[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])N1CCC[C@@H](C)C1 ZINC000756410838 621636410 /nfs/dbraw/zinc/63/64/10/621636410.db2.gz KJTKFRYOCQZGDT-UPJWGTAASA-N 0 0 312.404 3.441 20 10 DGCDRN C[C@@H]([NH2+]C1CCOCC1)c1cc(Br)c(F)cc1[O-] ZINC000756434231 621638341 /nfs/dbraw/zinc/63/83/41/621638341.db2.gz VIMNZOSIEMQLBC-MRVPVSSYSA-N 0 0 318.186 3.123 20 10 DGCDRN COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756459496 621639952 /nfs/dbraw/zinc/63/99/52/621639952.db2.gz NWJIRRQZJCSGHS-BONVTDFDSA-N 0 0 323.339 3.063 20 10 DGCDRN Cc1ccccc1OCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756483868 621641161 /nfs/dbraw/zinc/64/11/61/621641161.db2.gz YFGAKVOHABQRBN-ZDUSSCGKSA-N 0 0 316.357 3.338 20 10 DGCDRN CCC(=O)C1(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000863163400 621644291 /nfs/dbraw/zinc/64/42/91/621644291.db2.gz AWFNRYFFFJKBIG-UHFFFAOYSA-N 0 0 324.424 3.470 20 10 DGCDRN Cc1cc(CNC(=O)[C@@H]2CCSC2)c(C)n1-c1ccccc1 ZINC000863165540 621644603 /nfs/dbraw/zinc/64/46/03/621644603.db2.gz DRQDZCMSJGAHDE-OAHLLOKOSA-N 0 0 314.454 3.463 20 10 DGCDRN Cc1cc(CC(=O)NCc2cc(C)n(-c3ccccc3)c2C)on1 ZINC000863164924 621644633 /nfs/dbraw/zinc/64/46/33/621644633.db2.gz WYOVYMGMGMHOKT-UHFFFAOYSA-N 0 0 323.396 3.249 20 10 DGCDRN Cc1cc(CNC(=O)[C@H]2C[C@@]23CCOC3)c(C)n1-c1ccccc1 ZINC000863166278 621644697 /nfs/dbraw/zinc/64/46/97/621644697.db2.gz WIKJDXYMJBUVRD-UYAOXDASSA-N 0 0 324.424 3.137 20 10 DGCDRN Cc1ccn2cc(C[NH2+][C@H](C)c3cc(F)cc(F)c3[O-])nc2c1 ZINC000756533441 621645357 /nfs/dbraw/zinc/64/53/57/621645357.db2.gz HQJWTJKPMGHDDF-LLVKDONJSA-N 0 0 317.339 3.477 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C\c1ccncc1Cl ZINC000863180634 621645419 /nfs/dbraw/zinc/64/54/19/621645419.db2.gz QVLKDHXUMNCGJU-WQLSENKSSA-N 0 0 307.806 3.191 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCCOC1)c1cc(Br)c(F)cc1[O-] ZINC000756554731 621647765 /nfs/dbraw/zinc/64/77/65/621647765.db2.gz JACHUVCVQJAORZ-IUCAKERBSA-N 0 0 318.186 3.123 20 10 DGCDRN CC[C@](C)(O)C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756555078 621647994 /nfs/dbraw/zinc/64/79/94/621647994.db2.gz RRFQNFOIGMUYPM-OQPBUACISA-N 0 0 320.202 3.105 20 10 DGCDRN C[C@H]([NH2+]C[C@]1(O)CCCc2ccccc21)c1ccc(F)cc1[O-] ZINC000756561747 621649311 /nfs/dbraw/zinc/64/93/11/621649311.db2.gz HQGDEZHMVSVLLW-ORAYPTAESA-N 0 0 315.388 3.406 20 10 DGCDRN C[C@H](O)CC[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756573921 621649999 /nfs/dbraw/zinc/64/99/99/621649999.db2.gz SZBKKUVMIWZDCE-YUMQZZPRSA-N 0 0 322.630 3.230 20 10 DGCDRN CC[C@@H]1CCCCN1CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756575330 621650037 /nfs/dbraw/zinc/65/00/37/621650037.db2.gz PDTRORZJYHPYGG-UONOGXRCSA-N 0 0 321.421 3.216 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cc(C(C)C)no2)c1 ZINC000756573876 621650284 /nfs/dbraw/zinc/65/02/84/621650284.db2.gz SOIWPIZMBFTLMR-LLVKDONJSA-N 0 0 318.373 3.141 20 10 DGCDRN CCCC[C@@H](COC)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756584968 621651046 /nfs/dbraw/zinc/65/10/46/621651046.db2.gz HUOGCSTWLWFESY-OCCSQVGLSA-N 0 0 309.406 3.035 20 10 DGCDRN CCO[C@@H](CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000756631036 621654173 /nfs/dbraw/zinc/65/41/73/621654173.db2.gz XDTPXIJZOBAVJI-WBMJQRKESA-N 0 0 310.394 3.402 20 10 DGCDRN CN(Cc1ccn(-c2ccccc2)n1)c1ccc2c(c1)OCO2 ZINC000756647030 621655589 /nfs/dbraw/zinc/65/55/89/621655589.db2.gz XADAZGXMGXZUAT-UHFFFAOYSA-N 0 0 307.353 3.237 20 10 DGCDRN COc1ccc(COCCN(C)c2ccc3c(c2)OCO3)cc1 ZINC000756654006 621656208 /nfs/dbraw/zinc/65/62/08/621656208.db2.gz AKWGOMSNDRZWAM-UHFFFAOYSA-N 0 0 315.369 3.077 20 10 DGCDRN CSc1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])ccn1 ZINC000756662242 621657001 /nfs/dbraw/zinc/65/70/01/621657001.db2.gz ALYTZUMNQYVQGN-JTQLQIEISA-N 0 0 319.386 3.268 20 10 DGCDRN Cc1ccsc1[C@H](CO)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756735692 621661735 /nfs/dbraw/zinc/66/17/35/621661735.db2.gz GYTCIEMOMLXBQD-RNCFNFMXSA-N 0 0 313.369 3.425 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCC(F)(F)CC2)c1 ZINC000756783696 621664280 /nfs/dbraw/zinc/66/42/80/621664280.db2.gz HMYFJHGZJUWGBV-JTQLQIEISA-N 0 0 313.344 3.407 20 10 DGCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc(OC)c(F)c2)c1 ZINC000756800637 621665723 /nfs/dbraw/zinc/66/57/23/621665723.db2.gz ALHGRIOUHYXHIL-SNVBAGLBSA-N 0 0 319.332 3.500 20 10 DGCDRN C[C@@H]([NH2+]Cc1cocn1)c1cc(Br)c(F)cc1[O-] ZINC000756831232 621667089 /nfs/dbraw/zinc/66/70/89/621667089.db2.gz MLEHMDYTTHCSIJ-SSDOTTSWSA-N 0 0 315.142 3.133 20 10 DGCDRN COCC1([NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])CC1 ZINC000756851782 621668056 /nfs/dbraw/zinc/66/80/56/621668056.db2.gz VEOYNWPPYIVIPE-QMMMGPOBSA-N 0 0 318.186 3.123 20 10 DGCDRN C[C@H](Nc1cccc2c1oc(=O)n2C)c1cc(F)ccc1O ZINC000756855630 621668486 /nfs/dbraw/zinc/66/84/86/621668486.db2.gz LMMWSEOGJMLVAC-VIFPVBQESA-N 0 0 302.305 3.149 20 10 DGCDRN CCn1nc(C)cc1NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000863378125 621668737 /nfs/dbraw/zinc/66/87/37/621668737.db2.gz XEQOCILAECJYEO-UHFFFAOYSA-N 0 0 323.400 3.266 20 10 DGCDRN COc1cc(N(C)CCCOC(C)(C)C)cc(OC)c1OC ZINC000756882863 621670408 /nfs/dbraw/zinc/67/04/08/621670408.db2.gz MBHMFKWLGIDKSP-UHFFFAOYSA-N 0 0 311.422 3.354 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cc(F)cc(Cl)c2)cc1 ZINC000756906450 621672039 /nfs/dbraw/zinc/67/20/39/621672039.db2.gz GZSGBXARIOXCMJ-UHFFFAOYSA-N 0 0 306.768 3.475 20 10 DGCDRN CCCN(CC(=O)OCC)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000756908740 621672327 /nfs/dbraw/zinc/67/23/27/621672327.db2.gz JPWOFGPEXXAEFE-UHFFFAOYSA-N 0 0 323.433 3.170 20 10 DGCDRN CN(CC(=O)N(C)[C@H]1CCCc2ccccc21)c1ccc(N)cc1 ZINC000863557237 621683421 /nfs/dbraw/zinc/68/34/21/621683421.db2.gz KGHRLSQGVRMFCN-IBGZPJMESA-N 0 0 323.440 3.241 20 10 DGCDRN CC(C)[C@H](NC(=O)CN(C)c1ccc(N)cc1)c1ccccc1 ZINC000863557772 621683438 /nfs/dbraw/zinc/68/34/38/621683438.db2.gz ULDOSZCYFKAUTI-IBGZPJMESA-N 0 0 311.429 3.219 20 10 DGCDRN CN(CC(=O)NCCCC1CCCCC1)c1ccc(N)cc1 ZINC000863557777 621683445 /nfs/dbraw/zinc/68/34/45/621683445.db2.gz UMWAPWCLULFNQY-UHFFFAOYSA-N 0 0 303.450 3.182 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(C)s2)c1 ZINC000103510481 621698348 /nfs/dbraw/zinc/69/83/48/621698348.db2.gz CCIAHXSOZAVGCA-LLVKDONJSA-N 0 0 320.414 3.331 20 10 DGCDRN COc1ccc([C@H]2CCN(C(=O)C3=CC(=O)CS3)C2)cc1F ZINC000863695158 621702250 /nfs/dbraw/zinc/70/22/50/621702250.db2.gz YTXNJJVUPWAAFJ-NSHDSACASA-N 0 0 321.373 3.231 20 10 DGCDRN COc1ccnc(CN2CCCc3cc(OC)cc(OC)c32)c1 ZINC000839656661 621704915 /nfs/dbraw/zinc/70/49/15/621704915.db2.gz QOXGNASMWSSTMQ-UHFFFAOYSA-N 0 0 314.385 3.060 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc3ncccc3c2)c1 ZINC000103529110 621711734 /nfs/dbraw/zinc/71/17/34/621711734.db2.gz RAPRJDKYQIYJNF-LBPRGKRZSA-N 0 0 322.364 3.440 20 10 DGCDRN CN=[S@](C)(=O)c1cccc(NCc2cccc(OC)c2O)c1 ZINC000864014854 621727559 /nfs/dbraw/zinc/72/75/59/621727559.db2.gz XWDWAQZHYMJRBT-JOCHJYFZSA-N 0 0 320.414 3.099 20 10 DGCDRN CC(C)OCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000757688407 621733604 /nfs/dbraw/zinc/73/36/04/621733604.db2.gz YXTMBSQVQAVVDI-VIFPVBQESA-N 0 0 320.202 3.369 20 10 DGCDRN COc1ccc(N(C)Cc2cn(-c3ccccc3)nn2)cc1F ZINC000757852775 621743435 /nfs/dbraw/zinc/74/34/35/621743435.db2.gz QYRDMRQYQPUBKW-UHFFFAOYSA-N 0 0 312.348 3.051 20 10 DGCDRN c1csc(SCCCNc2cc(NCC3CC3)ncn2)n1 ZINC000758037830 621755083 /nfs/dbraw/zinc/75/50/83/621755083.db2.gz SNBWJBIXUKVPAP-UHFFFAOYSA-N 0 0 321.475 3.349 20 10 DGCDRN Fc1cc(CN2Cc3ccccc3C2)ccc1N1CCOCC1 ZINC000119958796 621755131 /nfs/dbraw/zinc/75/51/31/621755131.db2.gz DZRZVYTYGAKILF-UHFFFAOYSA-N 0 0 312.388 3.178 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc3ncsc3c2)cc1 ZINC000015134517 621767766 /nfs/dbraw/zinc/76/77/66/621767766.db2.gz KRJLNMBFOFOBOJ-UHFFFAOYSA-N 0 0 311.410 3.292 20 10 DGCDRN Cc1cc(C(=O)Nc2ccnn2C)c(C)n1-c1ccc(F)cc1 ZINC000120061695 621769447 /nfs/dbraw/zinc/76/94/47/621769447.db2.gz QTMSDOCIINIMJJ-UHFFFAOYSA-N 0 0 312.348 3.219 20 10 DGCDRN CCCN(CC(=O)OC(C)(C)C)Cc1cc(OC)c(C)cc1O ZINC000758279574 621772758 /nfs/dbraw/zinc/77/27/58/621772758.db2.gz WJRIJMJOLBMBKS-UHFFFAOYSA-N 0 0 323.433 3.263 20 10 DGCDRN C[C@@H]1CC[C@H](NC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C ZINC000758320836 621774768 /nfs/dbraw/zinc/77/47/68/621774768.db2.gz ZMKOERFHWOABSG-FMKPAKJESA-N 0 0 303.450 3.377 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000758344679 621776087 /nfs/dbraw/zinc/77/60/87/621776087.db2.gz LLPYAURVBPWOKT-UHFFFAOYSA-N 0 0 319.292 3.103 20 10 DGCDRN CCOCSc1ncc(-c2ccc3c(c2)OCCO3)n1CC ZINC000758362554 621777330 /nfs/dbraw/zinc/77/73/30/621777330.db2.gz QKXMQFSATOVRDT-UHFFFAOYSA-N 0 0 320.414 3.427 20 10 DGCDRN COc1ccc(C[NH2+]C[C@H](CC(=O)[O-])C2CCCC2)cc1C ZINC000864523538 621778273 /nfs/dbraw/zinc/77/82/73/621778273.db2.gz KRAJSMYMMNBWAX-INIZCTEOSA-N 0 0 305.418 3.374 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)C2(F)CCOCC2)cc1 ZINC000864636515 621794814 /nfs/dbraw/zinc/79/48/14/621794814.db2.gz MQTJIVUNUSBKLU-UHFFFAOYSA-N 0 0 322.424 3.010 20 10 DGCDRN COc1cc(Cl)cc([C@@H]2NC(=O)c3ccc(F)cc3N2)c1O ZINC000758819406 621802879 /nfs/dbraw/zinc/80/28/79/621802879.db2.gz KUEICGMHSOJYQN-AWEZNQCLSA-N 0 0 322.723 3.047 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OC[C@@H]1CCc2ccccc2C1 ZINC000759589789 621873734 /nfs/dbraw/zinc/87/37/34/621873734.db2.gz SUSAAVNMNULICY-YYRKOSNBSA-N 0 0 324.376 3.459 20 10 DGCDRN C[C@@H]1C[C@@H]1c1nnc(NCc2cccc(Br)c2O)o1 ZINC000865295618 621892076 /nfs/dbraw/zinc/89/20/76/621892076.db2.gz IZVKXIFFVOQPST-APPZFPTMSA-N 0 0 324.178 3.273 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NOCC(F)F ZINC000760151226 621918445 /nfs/dbraw/zinc/91/84/45/621918445.db2.gz PTNJZLZKOVYHIF-UHFFFAOYSA-N 0 0 308.328 3.329 20 10 DGCDRN O=[N+]([O-])c1cc(F)cnc1NCc1ccc(N2CCCC2)cc1 ZINC000865442357 621922162 /nfs/dbraw/zinc/92/21/62/621922162.db2.gz HUQHLTJNWVYLTQ-UHFFFAOYSA-N 0 0 316.336 3.341 20 10 DGCDRN CCCC1(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000760322091 621931722 /nfs/dbraw/zinc/93/17/22/621931722.db2.gz VFRWIFLJJXOGKL-UHFFFAOYSA-N 0 0 316.445 3.062 20 10 DGCDRN COc1cccc(CN2CCOc3c(Cl)cccc32)c1O ZINC000789570905 625525979 /nfs/dbraw/zinc/52/59/79/625525979.db2.gz LDSHZHYRYBZPTB-UHFFFAOYSA-N 0 0 305.761 3.453 20 10 DGCDRN Cn1c2ccncc2nc1NCCCSc1nccs1 ZINC000865536600 621945667 /nfs/dbraw/zinc/94/56/67/621945667.db2.gz DUWQVHYMKVSPRK-UHFFFAOYSA-N 0 0 305.432 3.019 20 10 DGCDRN CCCCC[C@@H](NCc1ccc(N(C)C)c(F)c1)C(=O)OC ZINC000789575464 625527402 /nfs/dbraw/zinc/52/74/02/625527402.db2.gz LIOVNHHWRGNJJY-OAHLLOKOSA-N 0 0 310.413 3.103 20 10 DGCDRN CCN(CCC1CC1)C(=O)NCc1ccc(N(C)C)cc1C ZINC000760994783 621978330 /nfs/dbraw/zinc/97/83/30/621978330.db2.gz OINICZNRNXUAQE-UHFFFAOYSA-N 0 0 303.450 3.393 20 10 DGCDRN CCC(CC)CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000760997482 621978713 /nfs/dbraw/zinc/97/87/13/621978713.db2.gz KJGWEJQJLDZBEK-UHFFFAOYSA-N 0 0 324.808 3.246 20 10 DGCDRN COc1ccc(CNc2nccn3nc(C4CCC4)cc23)c(O)c1 ZINC000865751440 621988254 /nfs/dbraw/zinc/98/82/54/621988254.db2.gz ZRBBSNOHGANVHE-UHFFFAOYSA-N 0 0 324.384 3.323 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[N@H+](C)C[C@H]2CCCO2)c1 ZINC000761228789 621996045 /nfs/dbraw/zinc/99/60/45/621996045.db2.gz MGVPTOBCECRSQT-GFCCVEGCSA-N 0 0 314.223 3.074 20 10 DGCDRN CCCCC[C@H]1NC(=O)N(Cc2ccc(N(C)C)cc2C)C1=O ZINC000761360070 622003421 /nfs/dbraw/zinc/00/34/21/622003421.db2.gz WEDIHUPIIVYZIE-MRXNPFEDSA-N 0 0 317.433 3.062 20 10 DGCDRN CC[C@H](C[C@@H](C)O)[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000865873739 622013107 /nfs/dbraw/zinc/01/31/07/622013107.db2.gz HNBGHGNLDCAHBQ-ZYHUDNBSSA-N 0 0 316.239 3.102 20 10 DGCDRN COc1cccc([C@H]2C[C@H](N(C)C(=O)C3=CC(=O)CS3)C2)c1 ZINC000839792942 622017769 /nfs/dbraw/zinc/01/77/69/622017769.db2.gz NZBYPAPQNHIPTI-JOCQHMNTSA-N 0 0 317.410 3.481 20 10 DGCDRN CC(C)C[C@@H]1C(=O)N([C@@H](C)c2ccc(N(C)C)cc2)C(=O)N1C ZINC000761576034 622018521 /nfs/dbraw/zinc/01/85/21/622018521.db2.gz AAYDJZOMXKAUBS-XJKSGUPXSA-N 0 0 317.433 3.122 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1cc(Cl)ccc1F ZINC000761611541 622020305 /nfs/dbraw/zinc/02/03/05/622020305.db2.gz QVJPQRIQPRAHJG-UHFFFAOYSA-N 0 0 324.739 3.255 20 10 DGCDRN Cc1ccnc(N2CCN(Cc3cc(Cl)ccc3O)CC2)c1 ZINC000120902542 622046253 /nfs/dbraw/zinc/04/62/53/622046253.db2.gz UQQYMSXYGRSDGV-UHFFFAOYSA-N 0 0 317.820 3.071 20 10 DGCDRN Cc1cnc(-c2noc(-c3ccc(-n4cccc4)c(F)c3)n2)nc1 ZINC000762219063 622063807 /nfs/dbraw/zinc/06/38/07/622063807.db2.gz VJBWWDOCUQHKTC-UHFFFAOYSA-N 0 0 321.315 3.432 20 10 DGCDRN CCC[C@H](O)CNC(=O)c1sccc1-n1c(C)ccc1C ZINC000762442564 622075937 /nfs/dbraw/zinc/07/59/37/622075937.db2.gz RQISBFXDAVOOMT-ZDUSSCGKSA-N 0 0 306.431 3.046 20 10 DGCDRN O=C(NCc1ccccc1O)c1cc(-c2ccc(F)cc2)on1 ZINC000762531860 622081911 /nfs/dbraw/zinc/08/19/11/622081911.db2.gz ZGEVFFNJNYJJCX-UHFFFAOYSA-N 0 0 312.300 3.116 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H](C)CC1(C)OCCO1)c1ccc(F)cc1[O-] ZINC000866427308 622116784 /nfs/dbraw/zinc/11/67/84/622116784.db2.gz KAQTZHVDIZMTEK-WFASDCNBSA-N 0 0 311.397 3.361 20 10 DGCDRN CN1CCCc2cc(CNC(=O)C(F)=C3CCCC3)ccc21 ZINC000763029321 622117975 /nfs/dbraw/zinc/11/79/75/622117975.db2.gz JOAHQLYULASKQH-UHFFFAOYSA-N 0 0 302.393 3.483 20 10 DGCDRN O=C(C1=CC(=O)CS1)N(CCc1cccc(F)c1)C1CC1 ZINC000763079788 622121784 /nfs/dbraw/zinc/12/17/84/622121784.db2.gz UQVJCVYZLVAVNR-UHFFFAOYSA-N 0 0 305.374 3.440 20 10 DGCDRN O=C(NCc1ccccc1O)[C@@H](Cc1cccnc1)C1CCCC1 ZINC000866755901 622162181 /nfs/dbraw/zinc/16/21/81/622162181.db2.gz OGYBRUFFNUWLMM-SFHVURJKSA-N 0 0 324.424 3.453 20 10 DGCDRN Cc1cnc(F)c(C(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000866770909 622163169 /nfs/dbraw/zinc/16/31/69/622163169.db2.gz INYRINCQCZZTQD-UHFFFAOYSA-N 0 0 314.360 3.044 20 10 DGCDRN CCO[C@@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)C1CCCC1 ZINC000866763234 622163181 /nfs/dbraw/zinc/16/31/81/622163181.db2.gz CMDSNJPERKJKKO-YVEFUNNKSA-N 0 0 321.417 3.173 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)[C@@H]2CCCCO2)c1 ZINC000866765276 622163184 /nfs/dbraw/zinc/16/31/84/622163184.db2.gz STCNRAMBXHQKKA-WBMJQRKESA-N 0 0 321.417 3.173 20 10 DGCDRN C[C@H](NC(=O)C1(c2ccccn2)CC1)c1ccc(N(C)C)cc1 ZINC000867504573 622169455 /nfs/dbraw/zinc/16/94/55/622169455.db2.gz YAFARTPUVDSZDZ-AWEZNQCLSA-N 0 0 309.413 3.057 20 10 DGCDRN C[C@H](NC(=O)c1[nH]cnc1C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000867504689 622169623 /nfs/dbraw/zinc/16/96/23/622169623.db2.gz YJYXZRMRMRTPKN-LBPRGKRZSA-N 0 0 314.433 3.264 20 10 DGCDRN C[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)c1ccccc1 ZINC000121691426 622174242 /nfs/dbraw/zinc/17/42/42/622174242.db2.gz GGOGIDITOYIILC-HNNXBMFYSA-N 0 0 308.425 3.489 20 10 DGCDRN COC(=O)c1cc(CN(C)c2ccc(OC)c(F)c2)oc1C ZINC000121704122 622174588 /nfs/dbraw/zinc/17/45/88/622174588.db2.gz GBLWKDDBXJTLKM-UHFFFAOYSA-N 0 0 307.321 3.159 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)/C=C\c1ccc(O)cc1 ZINC000764138848 622181822 /nfs/dbraw/zinc/18/18/22/622181822.db2.gz LBPUYEWETPHLSI-WDZFZDKYSA-N 0 0 310.397 3.096 20 10 DGCDRN CS/C=C/C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000764243952 622186103 /nfs/dbraw/zinc/18/61/03/622186103.db2.gz YTFXGVIPANEFLW-CMDGGOBGSA-N 0 0 323.373 3.277 20 10 DGCDRN CCc1ccc(CS(=O)(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000867834005 622187539 /nfs/dbraw/zinc/18/75/39/622187539.db2.gz JEQKIHHBDMXFML-ZDUSSCGKSA-N 0 0 319.426 3.135 20 10 DGCDRN C[C@@H](NC(=O)NCCCOc1ccccc1)c1ccccc1O ZINC000868033023 622206956 /nfs/dbraw/zinc/20/69/56/622206956.db2.gz ZHPVDEGJYXSBLD-CQSZACIVSA-N 0 0 314.385 3.222 20 10 DGCDRN C[C@H](Cc1cccs1)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868045280 622208397 /nfs/dbraw/zinc/20/83/97/622208397.db2.gz WGUJVOXPPPTBNO-NEPJUHHUSA-N 0 0 304.415 3.445 20 10 DGCDRN CC/C=C(\F)C(=O)NCc1cc(Br)ccc1O ZINC000868307265 622232362 /nfs/dbraw/zinc/23/23/62/622232362.db2.gz VUVASZRUHFRHCS-KMKOMSMNSA-N 0 0 302.143 3.034 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1C[C@@]1(C)c1ccccc1)c1ccccc1O ZINC000868308891 622232976 /nfs/dbraw/zinc/23/29/76/622232976.db2.gz CTNBHDVQZNFSLK-IRWQIABSSA-N 0 0 310.397 3.483 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1C[C@H]1Cc1ccccc1)c1ccccc1O ZINC000868309322 622233080 /nfs/dbraw/zinc/23/30/80/622233080.db2.gz UBJPAHOYOYCGHS-YSVLISHTSA-N 0 0 310.397 3.384 20 10 DGCDRN CS(=O)(=O)c1ccc(Sc2ncc(Cl)s2)cc1 ZINC000765022348 622240590 /nfs/dbraw/zinc/24/05/90/622240590.db2.gz YPYDEAIGQBRGFT-UHFFFAOYSA-N 0 0 305.833 3.351 20 10 DGCDRN C[C@H](NC(=O)NCCc1ccc(Cl)nc1)c1ccccc1O ZINC000868400561 622240670 /nfs/dbraw/zinc/24/06/70/622240670.db2.gz KKJWPRAZQMFKDP-NSHDSACASA-N 0 0 319.792 3.044 20 10 DGCDRN CSc1cc(CNC(=O)N[C@@H](C)c2ccccc2O)ccn1 ZINC000868474529 622247512 /nfs/dbraw/zinc/24/75/12/622247512.db2.gz KBPNQTIVWCJDQU-NSHDSACASA-N 0 0 317.414 3.070 20 10 DGCDRN CC(C)C[C@@H]1C[C@@H](NC(=O)N[C@@H](C)c2ccccc2O)CCO1 ZINC000868479850 622247905 /nfs/dbraw/zinc/24/79/05/622247905.db2.gz LKCUIUHFTXQGDW-SOUVJXGZSA-N 0 0 320.433 3.346 20 10 DGCDRN C[C@@H](NCc1cnn(-c2ccccc2)n1)c1ccc(N(C)C)cc1 ZINC000765142306 622249401 /nfs/dbraw/zinc/24/94/01/622249401.db2.gz ISNISODQUQNFDL-OAHLLOKOSA-N 0 0 321.428 3.184 20 10 DGCDRN C[C@H](NC(=O)NCC[C@@H]1CCCS1)c1ccc(N(C)C)cc1 ZINC000868515653 622252589 /nfs/dbraw/zinc/25/25/89/622252589.db2.gz OSRKBKIVFLIXRH-BBRMVZONSA-N 0 0 321.490 3.399 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1CCCC12CC2)c1ccc(N(C)C)cc1 ZINC000868515124 622252636 /nfs/dbraw/zinc/25/26/36/622252636.db2.gz IZVYEHSJBUDISM-CZUORRHYSA-N 0 0 301.434 3.446 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1c2ccccc2O[C@@H]1C)c1ccccc1O ZINC000868617239 622264500 /nfs/dbraw/zinc/26/45/00/622264500.db2.gz ABRYQBFRDBEBNI-QFSBIZTOSA-N 0 0 312.369 3.275 20 10 DGCDRN Cn1ccc(CN2CCCc3cc(OC(F)(F)F)ccc32)n1 ZINC000765499328 622268475 /nfs/dbraw/zinc/26/84/75/622268475.db2.gz HNYYQSONVGJMFN-UHFFFAOYSA-N 0 0 311.307 3.272 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1ncc(C)s1 ZINC000765492768 622268664 /nfs/dbraw/zinc/26/86/64/622268664.db2.gz QCSOUXDOASMUKF-UHFFFAOYSA-N 0 0 304.415 3.138 20 10 DGCDRN C[C@@H](NC(=O)NCC(C)(C)c1ccccn1)c1ccccc1O ZINC000868661171 622269951 /nfs/dbraw/zinc/26/99/51/622269951.db2.gz FXUIXXPWSQJQHN-CYBMUJFWSA-N 0 0 313.401 3.125 20 10 DGCDRN Cc1ccc2c(c1)OCCN2Cc1ccc(N2CCOCC2)cc1 ZINC000765657193 622280300 /nfs/dbraw/zinc/28/03/00/622280300.db2.gz WKKPERWPCXBQJO-UHFFFAOYSA-N 0 0 324.424 3.231 20 10 DGCDRN CC[C@H](NC(=O)N[C@H](C)c1ccccc1O)[C@@H]1CCCCO1 ZINC000868754254 622281409 /nfs/dbraw/zinc/28/14/09/622281409.db2.gz HLIQCOPCJIGJTJ-INWMFGNUSA-N 0 0 306.406 3.100 20 10 DGCDRN COCc1csc(CNC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000868773237 622283679 /nfs/dbraw/zinc/28/36/79/622283679.db2.gz JKDBKMFAXOVBRR-NSHDSACASA-N 0 0 320.414 3.161 20 10 DGCDRN CO[C@H](CNC(=O)N[C@@H](C)c1ccccc1O)C1CCCCC1 ZINC000868788806 622285296 /nfs/dbraw/zinc/28/52/96/622285296.db2.gz XVGSFCFWTKRBCW-SUMWQHHRSA-N 0 0 320.433 3.348 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccsc1)c1ccccc1O ZINC000868812359 622288051 /nfs/dbraw/zinc/28/80/51/622288051.db2.gz BEBNRAXTQTUMAS-DDTOSNHZSA-N 0 0 302.399 3.370 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@H](C)[C@H]2C)cc1 ZINC000765982726 622298443 /nfs/dbraw/zinc/29/84/43/622298443.db2.gz IKQAILGMDONVMP-HZPDHXFCSA-N 0 0 312.413 3.344 20 10 DGCDRN Cc1ncc([C@@H](C)NC(=O)NCc2cc(C)ccc2O)s1 ZINC000868934291 622301031 /nfs/dbraw/zinc/30/10/31/622301031.db2.gz JGQDCMVFFCIWBU-SNVBAGLBSA-N 0 0 305.403 3.026 20 10 DGCDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccccc1O ZINC000766242830 622314593 /nfs/dbraw/zinc/31/45/93/622314593.db2.gz RQMBCWADYQMCAS-UHFFFAOYSA-N 0 0 315.329 3.239 20 10 DGCDRN COc1ccc2c(c1)CCCCN2CC(=O)N1CCCCCC1 ZINC000766270837 622316199 /nfs/dbraw/zinc/31/61/99/622316199.db2.gz UZTTXEYQHBLCOZ-UHFFFAOYSA-N 0 0 316.445 3.241 20 10 DGCDRN COc1ccc2c(c1)CCCCN2CC(=O)N1CCC(C)CC1 ZINC000766267539 622316405 /nfs/dbraw/zinc/31/64/05/622316405.db2.gz CFPPMWOJLBBCRM-UHFFFAOYSA-N 0 0 316.445 3.096 20 10 DGCDRN Cc1cc(C(=O)OC[C@@H]2CCCOC2)c(C)n1-c1ccccn1 ZINC000766315569 622321328 /nfs/dbraw/zinc/32/13/28/622321328.db2.gz VIQOHNSPCKVUFH-OAHLLOKOSA-N 0 0 314.385 3.073 20 10 DGCDRN Oc1cc2c(cc1CN1CCCc3c(F)cccc31)OCO2 ZINC000766351055 622323940 /nfs/dbraw/zinc/32/39/40/622323940.db2.gz LBMCSIUQLMFARU-UHFFFAOYSA-N 0 0 301.317 3.213 20 10 DGCDRN Cc1nc(NC(=O)NCc2ccc(N(C)C)cc2C)cs1 ZINC000767124643 622377022 /nfs/dbraw/zinc/37/70/22/622377022.db2.gz CDWIZDOCHGKDHL-UHFFFAOYSA-N 0 0 304.419 3.148 20 10 DGCDRN COC1(C)CN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000767176951 622380558 /nfs/dbraw/zinc/38/05/58/622380558.db2.gz NETNEURWXHGVGQ-UHFFFAOYSA-N 0 0 316.376 3.094 20 10 DGCDRN CCS[C@H](C)c1noc(COC(=O)C2=CC(=O)CS2)n1 ZINC000767347747 622391789 /nfs/dbraw/zinc/39/17/89/622391789.db2.gz TVRYJPMDJTVOEV-SSDOTTSWSA-N 0 0 314.388 3.008 20 10 DGCDRN CCN1C(=O)/C(=C/c2cc(F)c(F)cc2F)SC1=S ZINC000767707640 622417740 /nfs/dbraw/zinc/41/77/40/622417740.db2.gz QKJCUKQMYAFHFY-WMZJFQQLSA-N 0 0 303.330 3.325 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@H]2CC3CCC2CC3)cc1 ZINC000767840917 622424618 /nfs/dbraw/zinc/42/46/18/622424618.db2.gz MWMGTGJXDADBMH-PGEKIEPBSA-N 0 0 301.434 3.131 20 10 DGCDRN CSc1cc(NC(=O)N(C)Cc2ccccc2O)ccn1 ZINC000767954500 622429867 /nfs/dbraw/zinc/42/98/67/622429867.db2.gz QHMFLUPJDRPJSD-UHFFFAOYSA-N 0 0 303.387 3.173 20 10 DGCDRN Oc1cccc(Cl)c1CN1CCN(Cc2ccsc2)CC1 ZINC000768207310 622445652 /nfs/dbraw/zinc/44/56/52/622445652.db2.gz BUFZNMMUWGGFDG-UHFFFAOYSA-N 0 0 322.861 3.425 20 10 DGCDRN CN1c2ccccc2C(=O)N[C@H]1c1cc(Cl)cc(F)c1O ZINC000768265336 622448181 /nfs/dbraw/zinc/44/81/81/622448181.db2.gz CJNWGHCUQKMMMT-CQSZACIVSA-N 0 0 306.724 3.063 20 10 DGCDRN Cc1cccc2c1C(=O)N[C@@H](c1cc(Cl)cc(F)c1O)N2 ZINC000768265256 622448297 /nfs/dbraw/zinc/44/82/97/622448297.db2.gz ASYOWESKZSQQCZ-AWEZNQCLSA-N 0 0 306.724 3.347 20 10 DGCDRN C[C@H]([NH2+]C[C@@]1(C)CCO[C@H]1C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000768295457 622448880 /nfs/dbraw/zinc/44/88/80/622448880.db2.gz SIGCXPRSPMJDJX-MZPVMMEZSA-N 0 0 320.389 3.156 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@@H]1CCCc2sccc21 ZINC000768308270 622449641 /nfs/dbraw/zinc/44/96/41/622449641.db2.gz VBXOTRAREAWAMW-CYBMUJFWSA-N 0 0 302.399 3.331 20 10 DGCDRN CCOc1ccc(CN2CCC[C@H]2c2cc(C)on2)c(O)c1 ZINC000768427509 622455651 /nfs/dbraw/zinc/45/56/51/622455651.db2.gz BYAOVFNFFYNPNU-INIZCTEOSA-N 0 0 302.374 3.424 20 10 DGCDRN CCOC(=O)CN(Cc1cc(Cl)cc(C)c1O)C1CCC1 ZINC000768530276 622462314 /nfs/dbraw/zinc/46/23/14/622462314.db2.gz GXXAPNFNQNPVTB-UHFFFAOYSA-N 0 0 311.809 3.272 20 10 DGCDRN Cc1cc(C(=O)Nc2cncnc2)c(C)n1-c1ccccc1C ZINC000768626407 622468172 /nfs/dbraw/zinc/46/81/72/622468172.db2.gz YYANOKSGQKEPGL-UHFFFAOYSA-N 0 0 306.369 3.445 20 10 DGCDRN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)C1=CC(=O)CS1 ZINC000768728421 622473370 /nfs/dbraw/zinc/47/33/70/622473370.db2.gz FLIQYVBGCCKZID-VIFPVBQESA-N 0 0 307.419 3.205 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(F)c1F ZINC000789833926 625569087 /nfs/dbraw/zinc/56/90/87/625569087.db2.gz BOWPJIKBMCTHEL-SECBINFHSA-N 0 0 322.311 3.129 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)CCC2CC2)c1 ZINC000768969783 622489011 /nfs/dbraw/zinc/48/90/11/622489011.db2.gz QZCAAMUEQJHHRI-RYUDHWBXSA-N 0 0 306.406 3.340 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC(C(F)F)C2)cc1 ZINC000769429892 622526934 /nfs/dbraw/zinc/52/69/34/622526934.db2.gz ZRMOPPYQCOLAAI-UHFFFAOYSA-N 0 0 304.340 3.431 20 10 DGCDRN CC[C@H]1CN(Cc2c(O)cccc2Cl)CCN1CC(F)F ZINC000769513380 622536761 /nfs/dbraw/zinc/53/67/61/622536761.db2.gz BYKQHVDIOKHZLS-NSHDSACASA-N 0 0 318.795 3.207 20 10 DGCDRN CCOc1ccc(CN2CCO[C@H](c3ccsc3)C2)c(O)c1 ZINC000769516179 622537604 /nfs/dbraw/zinc/53/76/04/622537604.db2.gz ZYWJUCOOQGNRJL-KRWDZBQOSA-N 0 0 319.426 3.426 20 10 DGCDRN C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]Cc1ccccc1O ZINC000769686881 622549236 /nfs/dbraw/zinc/54/92/36/622549236.db2.gz KFXXZXAAMXTIAA-OLZOCXBDSA-N 0 0 308.422 3.174 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1coc(C2CCCC2)n1 ZINC000769712416 622552705 /nfs/dbraw/zinc/55/27/05/622552705.db2.gz UHSGNSACAKLQLE-UHFFFAOYSA-N 0 0 300.358 3.310 20 10 DGCDRN O=C([C@H]1C[C@H]1c1cc(F)ccc1F)N1Cc2cccc(O)c2C1 ZINC000871202477 622566348 /nfs/dbraw/zinc/56/63/48/622566348.db2.gz IMYHXWHEODKGCG-JSGCOSHPSA-N 0 0 315.319 3.316 20 10 DGCDRN CCOc1ccc(CCC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871200877 622566414 /nfs/dbraw/zinc/56/64/14/622566414.db2.gz LJQVSVBFLLBOHB-UHFFFAOYSA-N 0 0 311.381 3.266 20 10 DGCDRN CC[C@@H](C(=O)N1Cc2cccc(O)c2C1)c1c(C)noc1C ZINC000871201415 622566436 /nfs/dbraw/zinc/56/64/36/622566436.db2.gz VRICAQSGDGNJEY-CYBMUJFWSA-N 0 0 300.358 3.033 20 10 DGCDRN CC(C)(C)c1ncc(C(=O)N2Cc3cccc(O)c3C2)s1 ZINC000871201648 622566604 /nfs/dbraw/zinc/56/66/04/622566604.db2.gz XSPCGSXBCXUHDJ-UHFFFAOYSA-N 0 0 302.399 3.302 20 10 DGCDRN Cc1noc(C)c1[C@H](C)CC(=O)N1Cc2cccc(O)c2C1 ZINC000871203563 622567249 /nfs/dbraw/zinc/56/72/49/622567249.db2.gz NHYBBXXWFDJJIG-SNVBAGLBSA-N 0 0 300.358 3.033 20 10 DGCDRN Cc1sc(CC(=O)N2Cc3cccc(O)c3C2)nc1C(C)C ZINC000871203745 622567259 /nfs/dbraw/zinc/56/72/59/622567259.db2.gz FQWGMPJHEQQFIU-UHFFFAOYSA-N 0 0 316.426 3.365 20 10 DGCDRN O=C(c1cc2c(cc1O)CCCC2)N1Cc2cccc(O)c2C1 ZINC000871203018 622567353 /nfs/dbraw/zinc/56/73/53/622567353.db2.gz KFCHSWSJTPAYCN-UHFFFAOYSA-N 0 0 309.365 3.133 20 10 DGCDRN O=C(COc1ccc2c(c1)CCCC2)N1Cc2cccc(O)c2C1 ZINC000871202559 622567383 /nfs/dbraw/zinc/56/73/83/622567383.db2.gz AQYANUYQCKKZLU-UHFFFAOYSA-N 0 0 323.392 3.192 20 10 DGCDRN O=C(c1cc(C2CC2)cnc1Cl)N1Cc2cccc(O)c2C1 ZINC000871205504 622567992 /nfs/dbraw/zinc/56/79/92/622567992.db2.gz URHRUQCQGNPHQF-UHFFFAOYSA-N 0 0 314.772 3.474 20 10 DGCDRN O=C(c1ccc(C2CCOCC2)cc1)N1Cc2cccc(O)c2C1 ZINC000871206732 622569038 /nfs/dbraw/zinc/56/90/38/622569038.db2.gz CRAWARHUDCHPBN-UHFFFAOYSA-N 0 0 323.392 3.442 20 10 DGCDRN COc1cccc(O)c1CNc1ccc(C)c(NC(C)=O)c1 ZINC000770411071 622630688 /nfs/dbraw/zinc/63/06/88/622630688.db2.gz DNFKEWBQXGWZRG-UHFFFAOYSA-N 0 0 300.358 3.280 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc3ncccc3c2)cc1F ZINC000123657119 622630964 /nfs/dbraw/zinc/63/09/64/622630964.db2.gz BAFKQMMFGCUJLF-UHFFFAOYSA-N 0 0 323.371 3.370 20 10 DGCDRN CCOc1cc(NCc2cc3c(cc2O)OCO3)ccc1C ZINC000770421897 622632702 /nfs/dbraw/zinc/63/27/02/622632702.db2.gz ZYVVBXKXXBRKFU-UHFFFAOYSA-N 0 0 301.342 3.440 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1 ZINC000770632203 622655140 /nfs/dbraw/zinc/65/51/40/622655140.db2.gz YRKHFVHFNSPTIK-ROUUACIJSA-N 0 0 312.413 3.127 20 10 DGCDRN COc1cccc(NCc2cc(OC)c(OC)cc2O)c1F ZINC000770666268 622658630 /nfs/dbraw/zinc/65/86/30/622658630.db2.gz KMVGEWFSJULVGL-UHFFFAOYSA-N 0 0 307.321 3.169 20 10 DGCDRN C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC12CCC2 ZINC000770715345 622663266 /nfs/dbraw/zinc/66/32/66/622663266.db2.gz DZCBREZPQIIZQS-OAHLLOKOSA-N 0 0 315.461 3.474 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CCCC(F)(F)F)cc1F ZINC000770715372 622663392 /nfs/dbraw/zinc/66/33/92/622663392.db2.gz GSDQLXOVOSHXMM-UHFFFAOYSA-N 0 0 306.303 3.241 20 10 DGCDRN O=C(N[C@@H]1CCSc2ccccc21)c1c(F)ccc(O)c1O ZINC000789944661 625585218 /nfs/dbraw/zinc/58/52/18/625585218.db2.gz VJUOLNIKMJFCLF-LLVKDONJSA-N 0 0 319.357 3.204 20 10 DGCDRN CN(Cc1ccccc1Cl)C(=O)c1c(F)ccc(O)c1O ZINC000789939565 625585376 /nfs/dbraw/zinc/58/53/76/625585376.db2.gz PFBYLOYVNJHXES-UHFFFAOYSA-N 0 0 309.724 3.163 20 10 DGCDRN CCC1(CC)[C@H](NC(=O)NCc2ccccc2O)[C@H](C)[C@H]1OC ZINC000770827610 622673493 /nfs/dbraw/zinc/67/34/93/622673493.db2.gz FXSKQVXMPZOGDS-APHBMKBZSA-N 0 0 320.433 3.031 20 10 DGCDRN CC(C)[C@](C)(O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000771104434 622713949 /nfs/dbraw/zinc/71/39/49/622713949.db2.gz PWRDXCPJVOUARA-IBGZPJMESA-N 0 0 318.461 3.042 20 10 DGCDRN CC(C)Nc1ccccc1NCC(=O)NC(C1CC1)C1CC1 ZINC000871847874 622715299 /nfs/dbraw/zinc/71/52/99/622715299.db2.gz YTEAYUMLOIIMHS-UHFFFAOYSA-N 0 0 301.434 3.224 20 10 DGCDRN C[N@H+](Cc1cccc(O)c1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000771934713 622820382 /nfs/dbraw/zinc/82/03/82/622820382.db2.gz CPEFIZNEUPPSLK-UHFFFAOYSA-N 0 0 322.748 3.291 20 10 DGCDRN CC(C)(c1nc(Cc2ccc(N)cc2)no1)[C@H]1CCCCO1 ZINC000872170524 622849682 /nfs/dbraw/zinc/84/96/82/622849682.db2.gz JEEHRYYPSWHGKG-CQSZACIVSA-N 0 0 301.390 3.089 20 10 DGCDRN CC(C)(O)C[C@@H](O)CNc1ccc(Nc2ccccc2)cc1 ZINC000872210259 622858057 /nfs/dbraw/zinc/85/80/57/622858057.db2.gz SOJCAOOLQYHREM-QGZVFWFLSA-N 0 0 300.402 3.364 20 10 DGCDRN CCCc1cc(N[C@H](C)c2ccc(N(C)C)cc2)n2ncnc2n1 ZINC000772300053 622881435 /nfs/dbraw/zinc/88/14/35/622881435.db2.gz YTBSBHYBTMNHRN-CYBMUJFWSA-N 0 0 324.432 3.316 20 10 DGCDRN CC(=O)C(C)(C)CCC(=O)NCCCSc1nccs1 ZINC000772709801 622930957 /nfs/dbraw/zinc/93/09/57/622930957.db2.gz VQAIRCIYFIPYGZ-UHFFFAOYSA-N 0 0 314.476 3.137 20 10 DGCDRN CC1(C)CN(Cc2cc3c(cc2O)OCO3)[C@@H]1c1ccco1 ZINC000872633533 622945691 /nfs/dbraw/zinc/94/56/91/622945691.db2.gz KLJRAAYYSONYKX-MRXNPFEDSA-N 0 0 301.342 3.297 20 10 DGCDRN C[C@H](NC(=O)c1ccc2c(c1)CCO2)c1ccc(N(C)C)cc1 ZINC000773005707 622964955 /nfs/dbraw/zinc/96/49/55/622964955.db2.gz COOAZXQVVFFGNE-ZDUSSCGKSA-N 0 0 310.397 3.179 20 10 DGCDRN COCc1ccsc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773007381 622965411 /nfs/dbraw/zinc/96/54/11/622965411.db2.gz HZJHRXVZTDRRHO-LBPRGKRZSA-N 0 0 318.442 3.452 20 10 DGCDRN COCCC1(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC000773014980 622968328 /nfs/dbraw/zinc/96/83/28/622968328.db2.gz MCPIMUZKYKHSIW-AWEZNQCLSA-N 0 0 304.434 3.137 20 10 DGCDRN C[C@@H](NC(=O)[C@H]1OCCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000773017642 622968392 /nfs/dbraw/zinc/96/83/92/622968392.db2.gz HYNBYIFNPYZVEU-KUHUBIRLSA-N 0 0 324.424 3.244 20 10 DGCDRN CCO[C@@H](CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000773023387 622968831 /nfs/dbraw/zinc/96/88/31/622968831.db2.gz XGDQHRQHLXKRIV-YOEHRIQHSA-N 0 0 306.450 3.381 20 10 DGCDRN Cc1nc(CCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000773020453 622969010 /nfs/dbraw/zinc/96/90/10/622969010.db2.gz USZZRTCMZLFYJR-GFCCVEGCSA-N 0 0 317.458 3.328 20 10 DGCDRN C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1)c1ccc(N(C)C)cc1 ZINC000773018608 622969319 /nfs/dbraw/zinc/96/93/19/622969319.db2.gz YNFRZKFKDKKTFU-HUUCEWRRSA-N 0 0 312.413 3.397 20 10 DGCDRN C[C@H](NC(=O)NCCc1cccs1)c1ccc(N(C)C)cc1 ZINC000773111248 622985821 /nfs/dbraw/zinc/98/58/21/622985821.db2.gz MMMVWKKMIYPYGT-ZDUSSCGKSA-N 0 0 317.458 3.417 20 10 DGCDRN C[C@@H](NC(=O)NOCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000773136885 622989914 /nfs/dbraw/zinc/98/99/14/622989914.db2.gz BPZAZXVIKRAJAB-CQSZACIVSA-N 0 0 313.401 3.245 20 10 DGCDRN Cc1ccc(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000773202088 622999015 /nfs/dbraw/zinc/99/90/15/622999015.db2.gz YSXIDIXTLRJEHP-AWEZNQCLSA-N 0 0 312.417 3.016 20 10 DGCDRN C[C@@H](NC(=O)NCCOC1CCCC1)c1ccc(N(C)C)cc1 ZINC000773276591 623007487 /nfs/dbraw/zinc/00/74/87/623007487.db2.gz LQNHBTOBDCRQCR-CQSZACIVSA-N 0 0 319.449 3.072 20 10 DGCDRN C[C@H](NC(=O)NC[C@H]1CCCS1)c1ccc(N(C)C)cc1 ZINC000773375804 623018533 /nfs/dbraw/zinc/01/85/33/623018533.db2.gz MDMUKFQWLMEGGH-SWLSCSKDSA-N 0 0 307.463 3.008 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773428295 623025764 /nfs/dbraw/zinc/02/57/64/623025764.db2.gz LMAQTHDGZMZYLX-FQLMCAECSA-N 0 0 319.449 3.069 20 10 DGCDRN CCCOc1ccc(CNCc2nnc(C(C)(C)C)[nH]2)cc1C ZINC000873131278 623044119 /nfs/dbraw/zinc/04/41/19/623044119.db2.gz RCQOTEYFILDDLG-UHFFFAOYSA-N 0 0 316.449 3.489 20 10 DGCDRN C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)C2(C)C)c1ccc(N(C)C)cc1 ZINC000773613300 623050725 /nfs/dbraw/zinc/05/07/25/623050725.db2.gz PRULPGMOHPGZML-VBNZEHGJSA-N 0 0 301.434 3.111 20 10 DGCDRN C[C@H](NC(=O)N(C)Cc1ccco1)c1ccc(N(C)C)cc1 ZINC000773621467 623051296 /nfs/dbraw/zinc/05/12/96/623051296.db2.gz ACQBHQVFEDIYDY-ZDUSSCGKSA-N 0 0 301.390 3.248 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(F)cc(Cl)c1 ZINC000773747695 623066367 /nfs/dbraw/zinc/06/63/67/623066367.db2.gz FBCQZIWHNQEHHY-VIFPVBQESA-N 0 0 323.751 3.251 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000773748260 623066495 /nfs/dbraw/zinc/06/64/95/623066495.db2.gz IPMWGGRSQVBHHR-RDBSUJKOSA-N 0 0 305.418 3.361 20 10 DGCDRN Cc1nccnc1[C@@H](C)NCc1c(O)cccc1Br ZINC000873186639 623066727 /nfs/dbraw/zinc/06/67/27/623066727.db2.gz TWQJSNQGAHPXIN-SNVBAGLBSA-N 0 0 322.206 3.104 20 10 DGCDRN CCN(C)c1ccc(CN(C)Cc2ncc(Cl)n2C)cc1 ZINC000773831174 623075977 /nfs/dbraw/zinc/07/59/77/623075977.db2.gz HWXFGBHFVSEWGC-UHFFFAOYSA-N 0 0 306.841 3.162 20 10 DGCDRN Cc1cncc(/C=C/C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)c1 ZINC000773990120 623096718 /nfs/dbraw/zinc/09/67/18/623096718.db2.gz CAHRNKUGNIDKKI-ONEGZZNKSA-N 0 0 323.352 3.209 20 10 DGCDRN C[C@H](NC(=O)c1cccnc1Cl)c1ccc(N(C)C)cc1 ZINC000773989874 623096917 /nfs/dbraw/zinc/09/69/17/623096917.db2.gz QZXVPWGFONXTQZ-NSHDSACASA-N 0 0 303.793 3.292 20 10 DGCDRN CCOC(=O)c1ccc(NCc2c(O)ccc(Cl)c2F)cn1 ZINC000790241607 625621341 /nfs/dbraw/zinc/62/13/41/625621341.db2.gz ZKGNKFXEBVUWFN-UHFFFAOYSA-N 0 0 324.739 3.369 20 10 DGCDRN CCCc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 ZINC000774138665 623111192 /nfs/dbraw/zinc/11/11/92/623111192.db2.gz LRBUXBYBGCIDIH-LGMDPLHJSA-N 0 0 306.365 3.101 20 10 DGCDRN COc1ccc(O)c(CNc2ncncc2-c2ccccc2)c1 ZINC000774681051 623175500 /nfs/dbraw/zinc/17/55/00/623175500.db2.gz JHWSHQCZAHDXOB-UHFFFAOYSA-N 0 0 307.353 3.470 20 10 DGCDRN CC[C@]1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000774883702 623204955 /nfs/dbraw/zinc/20/49/55/623204955.db2.gz ISBFWLGXDPMZRM-MRXNPFEDSA-N 0 0 308.378 3.321 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000774888661 623205731 /nfs/dbraw/zinc/20/57/31/623205731.db2.gz RTOBALZHAQPIEK-BZPMIXESSA-N 0 0 320.389 3.462 20 10 DGCDRN COc1c([O-])c(C[NH2+]C[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000774942997 623210190 /nfs/dbraw/zinc/21/01/90/623210190.db2.gz SKPHCVIUPOWGTD-GFCCVEGCSA-N 0 0 316.357 3.202 20 10 DGCDRN COc1ccc2c(c1)CCCN2CCCNC(=O)OC(C)(C)C ZINC000775058351 623222743 /nfs/dbraw/zinc/22/27/43/623222743.db2.gz XQOHOHTWKSYSLD-UHFFFAOYSA-N 0 0 320.433 3.363 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2C[C@H](C)CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000775060014 623223783 /nfs/dbraw/zinc/22/37/83/623223783.db2.gz DXOTVFXPPMSQLS-LLVKDONJSA-N 0 0 308.378 3.177 20 10 DGCDRN COc1c(O)c(CNc2cccc3cc[nH]c32)ccc1[N+](=O)[O-] ZINC000775078380 623228367 /nfs/dbraw/zinc/22/83/67/623228367.db2.gz YIXMCAPWNDDBNW-UHFFFAOYSA-N 0 0 313.313 3.402 20 10 DGCDRN CN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S ZINC000020220046 623235152 /nfs/dbraw/zinc/23/51/52/623235152.db2.gz IRINDVNFYWTQAM-TWGQIWQCSA-N 0 0 301.339 3.119 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000775166843 623237611 /nfs/dbraw/zinc/23/76/11/623237611.db2.gz BHUGBFFPRGPNJX-AWEZNQCLSA-N 0 0 313.731 3.147 20 10 DGCDRN Cc1cc(NS(=O)(=O)c2ccc3ncsc3c2)ccc1O ZINC000775284771 623249412 /nfs/dbraw/zinc/24/94/12/623249412.db2.gz YOMJMKRXKOPMAU-UHFFFAOYSA-N 0 0 320.395 3.111 20 10 DGCDRN Cc1noc(Cl)c1CC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775402853 623269621 /nfs/dbraw/zinc/26/96/21/623269621.db2.gz DKMIZIGWIZFKJG-SNVBAGLBSA-N 0 0 321.808 3.122 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775411185 623271343 /nfs/dbraw/zinc/27/13/43/623271343.db2.gz PINOUOZTIFNYDD-VSGCLNPGSA-N 0 0 309.413 3.347 20 10 DGCDRN CC[C@H](Nc1cccc(C(N)=O)c1OC)c1ccccc1O ZINC000775551432 623288837 /nfs/dbraw/zinc/28/88/37/623288837.db2.gz MPZZWAHSSRBDRS-ZDUSSCGKSA-N 0 0 300.358 3.063 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+](CCO)C1CCCCC1 ZINC000775633258 623299737 /nfs/dbraw/zinc/29/97/37/623299737.db2.gz GOJYYRGRYHYDBD-UHFFFAOYSA-N 0 0 301.789 3.312 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000775657889 623306640 /nfs/dbraw/zinc/30/66/40/623306640.db2.gz BLYNVAHANFASGV-AWEZNQCLSA-N 0 0 312.816 3.245 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccn(C(F)F)n2)cc1 ZINC000775662401 623308735 /nfs/dbraw/zinc/30/87/35/623308735.db2.gz FRMSMGWKFMZOJZ-UHFFFAOYSA-N 0 0 322.359 3.054 20 10 DGCDRN Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)c1O ZINC000775674635 623311589 /nfs/dbraw/zinc/31/15/89/623311589.db2.gz HAIFBCGESJTVJS-CQSZACIVSA-N 0 0 311.809 3.081 20 10 DGCDRN CN1CC[N@H+](Cc2cccc(Cl)c2[O-])Cc2ccccc21 ZINC000775676305 623312363 /nfs/dbraw/zinc/31/23/63/623312363.db2.gz QDHQNOXZZVIWEP-UHFFFAOYSA-N 0 0 302.805 3.498 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000775676949 623312637 /nfs/dbraw/zinc/31/26/37/623312637.db2.gz CPACXBRTYIKKJO-AWEZNQCLSA-N 0 0 312.816 3.245 20 10 DGCDRN COC(=O)CCC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000775694683 623314604 /nfs/dbraw/zinc/31/46/04/623314604.db2.gz OBWWBSLELJNPDH-UHFFFAOYSA-N 0 0 311.809 3.211 20 10 DGCDRN Cc1cc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C)cn1 ZINC000775698191 623316307 /nfs/dbraw/zinc/31/63/07/623316307.db2.gz UDZFFUGWCWSRHK-CQSZACIVSA-N 0 0 312.417 3.069 20 10 DGCDRN C[C@@H](NC(=O)Nc1ccc(F)cn1)c1ccc(N(C)C)cc1 ZINC000775729734 623321243 /nfs/dbraw/zinc/32/12/43/623321243.db2.gz PUNAQLSUQCQMCX-LLVKDONJSA-N 0 0 302.353 3.169 20 10 DGCDRN CC(C)CO[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775737717 623321921 /nfs/dbraw/zinc/32/19/21/623321921.db2.gz KCJHWDJFKPMDLO-ZDUSSCGKSA-N 0 0 301.789 3.432 20 10 DGCDRN CCc1ccc(N(CC)C(=O)/C=C\c2cnc(OC)nc2)cc1 ZINC000775783078 623331619 /nfs/dbraw/zinc/33/16/19/623331619.db2.gz MZTUKJCDAJLNEU-FLIBITNWSA-N 0 0 311.385 3.114 20 10 DGCDRN CCO[C@@H](C)c1noc(CN[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775832773 623338697 /nfs/dbraw/zinc/33/86/97/623338697.db2.gz BOZMGXXTDFMTIV-OLZOCXBDSA-N 0 0 318.421 3.084 20 10 DGCDRN C[C@@H](NC(=O)N[C@H](C)c1cccnc1)c1ccc(N(C)C)cc1 ZINC000776101374 623377755 /nfs/dbraw/zinc/37/77/55/623377755.db2.gz XHCJYGYZOARSAF-ZIAGYGMSSA-N 0 0 312.417 3.269 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1cccnc1 ZINC000776101371 623377876 /nfs/dbraw/zinc/37/78/76/623377876.db2.gz XHCJYGYZOARSAF-UONOGXRCSA-N 0 0 312.417 3.269 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1nccn1CC(F)(F)F ZINC000776165778 623387085 /nfs/dbraw/zinc/38/70/85/623387085.db2.gz WNFCZHOLZHNLFM-UHFFFAOYSA-N 0 0 319.714 3.094 20 10 DGCDRN CC(=O)c1ccc(NC(=S)NCc2ccc(Cl)cn2)cc1 ZINC000776196612 623394984 /nfs/dbraw/zinc/39/49/84/623394984.db2.gz XSEMVUJTOBDKOY-UHFFFAOYSA-N 0 0 319.817 3.424 20 10 DGCDRN C[C@@H](NC(=O)NC12CCC(CC1)C2)c1ccc(N(C)C)cc1 ZINC000776239900 623400967 /nfs/dbraw/zinc/40/09/67/623400967.db2.gz SCSWLNLXGLEFSL-WRSVWVKZSA-N 0 0 301.434 3.446 20 10 DGCDRN CC[C@@H]1CO[C@H](C)CN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776250593 623401881 /nfs/dbraw/zinc/40/18/81/623401881.db2.gz WBUNSRXRRUWJPP-IIAWOOMASA-N 0 0 319.449 3.023 20 10 DGCDRN COc1ccc(CN[C@@H](C(=O)OC(C)(C)C)C(C)C)cc1C ZINC000776258486 623402587 /nfs/dbraw/zinc/40/25/87/623402587.db2.gz YICWCMJDWJGNOB-MRXNPFEDSA-N 0 0 307.434 3.460 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000776269077 623404232 /nfs/dbraw/zinc/40/42/32/623404232.db2.gz IPRIKIXJBJGRLU-CQSZACIVSA-N 0 0 311.429 3.310 20 10 DGCDRN CCNc1nc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000776269619 623404450 /nfs/dbraw/zinc/40/44/50/623404450.db2.gz LQHILUWVXCVVNU-NSHDSACASA-N 0 0 318.446 3.132 20 10 DGCDRN C[C@H](NC(=O)[C@@H]1CC[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000776309740 623409695 /nfs/dbraw/zinc/40/96/95/623409695.db2.gz MLFKJLXIRCKSLS-HLLBOEOZSA-N 0 0 316.445 3.137 20 10 DGCDRN C[C@@H]1C[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)CCO1 ZINC000776342432 623414303 /nfs/dbraw/zinc/41/43/03/623414303.db2.gz GPRNRJWSGKQXHA-NVXWUHKLSA-N 0 0 316.445 3.108 20 10 DGCDRN O=C(Nc1ccc2[nH]c(C3CCC3)nc2c1)c1cccc(O)c1O ZINC000776343077 623415023 /nfs/dbraw/zinc/41/50/23/623415023.db2.gz OBRUONBXTWXBIG-UHFFFAOYSA-N 0 0 323.352 3.494 20 10 DGCDRN Cc1ccccc1C[C@H](C)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875117283 623418201 /nfs/dbraw/zinc/41/82/01/623418201.db2.gz DUQRYLVDJAZKKV-AWEZNQCLSA-N 0 0 310.397 3.357 20 10 DGCDRN C[C@H](Cc1ccccc1F)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875138834 623420444 /nfs/dbraw/zinc/42/04/44/623420444.db2.gz ZIFFIFXMEADBCZ-GFCCVEGCSA-N 0 0 314.360 3.188 20 10 DGCDRN C[C@@H](NC(=O)NCc1ccc([C@H](C)O)cc1)c1ccccc1O ZINC000875187701 623425781 /nfs/dbraw/zinc/42/57/81/623425781.db2.gz OPBMZJWBJIVMJA-OLZOCXBDSA-N 0 0 314.385 3.006 20 10 DGCDRN O=C(NC1CC(c2ccccc2)C1)N1Cc2cccc(O)c2C1 ZINC000875228309 623428790 /nfs/dbraw/zinc/42/87/90/623428790.db2.gz ZVMAXFKNZXEELU-UHFFFAOYSA-N 0 0 308.381 3.364 20 10 DGCDRN CCC[C@H](NC(=O)N1Cc2cccc(O)c2C1)c1ccccn1 ZINC000875236474 623429523 /nfs/dbraw/zinc/42/95/23/623429523.db2.gz UNSBMYBULHPDIF-INIZCTEOSA-N 0 0 311.385 3.354 20 10 DGCDRN CC[C@H](NC(=O)N1Cc2cccc(O)c2C1)c1nc(C)cs1 ZINC000875242363 623430147 /nfs/dbraw/zinc/43/01/47/623430147.db2.gz MLZLPOPEEZKRDB-ZDUSSCGKSA-N 0 0 317.414 3.334 20 10 DGCDRN COC[C@@H](NC(=O)N[C@H](C)c1ccccc1O)c1ccc(C)o1 ZINC000875335025 623438194 /nfs/dbraw/zinc/43/81/94/623438194.db2.gz QIIBIBDFPLIAFZ-TZMCWYRMSA-N 0 0 318.373 3.042 20 10 DGCDRN COC[C@H](NC(=O)N[C@@H](C)c1ccccc1O)c1ccc(C)o1 ZINC000875335022 623438453 /nfs/dbraw/zinc/43/84/53/623438453.db2.gz QIIBIBDFPLIAFZ-JSGCOSHPSA-N 0 0 318.373 3.042 20 10 DGCDRN CC1(NC(=O)NCCCSc2nccs2)CC(F)(F)C1 ZINC000875377386 623443293 /nfs/dbraw/zinc/44/32/93/623443293.db2.gz ZERDLZDVXXTBLI-UHFFFAOYSA-N 0 0 321.418 3.112 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1ccccc1O ZINC000875401560 623446511 /nfs/dbraw/zinc/44/65/11/623446511.db2.gz BXQOJAITHZMJRW-PSVFENSKSA-N 0 0 322.408 3.481 20 10 DGCDRN COCC1(C)CN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000790420369 625651906 /nfs/dbraw/zinc/65/19/06/625651906.db2.gz IXKSHUVSLIYVLG-UHFFFAOYSA-N 0 0 312.413 3.203 20 10 DGCDRN COc1ccc2c(c1)CCCN2C(=O)/C=C/c1scnc1C ZINC000776749689 623459902 /nfs/dbraw/zinc/45/99/02/623459902.db2.gz DGSZVAROKRLOKL-BQYQJAHWSA-N 0 0 314.410 3.453 20 10 DGCDRN CC[C@H](CCO)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000125447688 623460425 /nfs/dbraw/zinc/46/04/25/623460425.db2.gz WQDMQOKMBWVCRB-MRXNPFEDSA-N 0 0 314.429 3.233 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2coc(C3CC3)n2)cc1 ZINC000776788568 623463497 /nfs/dbraw/zinc/46/34/97/623463497.db2.gz PDNNDQITABVNJB-UHFFFAOYSA-N 0 0 313.401 3.328 20 10 DGCDRN C[C@]1(CCNC(=O)N2Cc3cccc(O)c3C2)C[C@@]1(F)Cl ZINC000875693565 623481483 /nfs/dbraw/zinc/48/14/83/623481483.db2.gz ZHNUSAQPGPUTDQ-GJZGRUSLSA-N 0 0 312.772 3.122 20 10 DGCDRN CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](OC)C(F)(F)F)cc1 ZINC000777007445 623484447 /nfs/dbraw/zinc/48/44/47/623484447.db2.gz MMMQDERJPJWJEO-RISCZKNCSA-N 0 0 304.356 3.371 20 10 DGCDRN CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](OC)C(F)(F)F)cc1 ZINC000777007447 623484737 /nfs/dbraw/zinc/48/47/37/623484737.db2.gz MMMQDERJPJWJEO-SMDDNHRTSA-N 0 0 304.356 3.371 20 10 DGCDRN O=C(NC1CCC2(CC2(F)F)CC1)N1Cc2cccc(O)c2C1 ZINC000875745524 623487306 /nfs/dbraw/zinc/48/73/06/623487306.db2.gz ZHZZYSDBAQNISG-UHFFFAOYSA-N 0 0 322.355 3.385 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NOC1CCCCC1 ZINC000777715259 623560250 /nfs/dbraw/zinc/56/02/50/623560250.db2.gz VTYGQGBYAMMDGU-UHFFFAOYSA-N 0 0 305.422 3.125 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cc(Cl)cc(Cl)n2)cc1 ZINC000777790884 623568088 /nfs/dbraw/zinc/56/80/88/623568088.db2.gz JPOIJIKXKDTNDG-UHFFFAOYSA-N 0 0 324.211 3.384 20 10 DGCDRN C[C@@H]1CCN2[C@H](c3cc(-c4ccccc4)ccc3O)NC(=O)[C@@H]2C1 ZINC000777901500 623583072 /nfs/dbraw/zinc/58/30/72/623583072.db2.gz YXWDROSLVMXRIN-XVGQJIODSA-N 0 0 322.408 3.288 20 10 DGCDRN CC1(C)[C@H](C(=O)NCCc2ccc(N)cc2)[C@H]1c1ccccc1 ZINC000876528497 623634704 /nfs/dbraw/zinc/63/47/04/623634704.db2.gz RPWCVSPKJDITPB-MSOLQXFVSA-N 0 0 308.425 3.367 20 10 DGCDRN Cc1ccc2c(c1)SCCCN2C(=O)/C=C/c1cnn(C)c1 ZINC000778279683 623635474 /nfs/dbraw/zinc/63/54/74/623635474.db2.gz GTEUIMHAGCSFDN-FNORWQNLSA-N 0 0 313.426 3.271 20 10 DGCDRN COc1ccc(C[N@H+](C)Cc2ccc(F)c(F)c2[O-])cc1OC ZINC000876535997 623637168 /nfs/dbraw/zinc/63/71/68/623637168.db2.gz SPSLUTKVHHXRNQ-UHFFFAOYSA-N 0 0 323.339 3.320 20 10 DGCDRN C[C@@H](Nc1ccc(-c2ccnn2C)nn1)c1ccc(N(C)C)cc1 ZINC000882203080 625665798 /nfs/dbraw/zinc/66/57/98/625665798.db2.gz NLMNJKLDKLUPTK-CYBMUJFWSA-N 0 0 322.416 3.116 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1cc2sccc2s1 ZINC000778919143 623711087 /nfs/dbraw/zinc/71/10/87/623711087.db2.gz VMDVUQFTJBTFKQ-UHFFFAOYSA-N 0 0 305.380 3.304 20 10 DGCDRN CN(Cc1ccn(-c2ccccc2)n1)Cc1cc(F)ccc1O ZINC000778999596 623719426 /nfs/dbraw/zinc/71/94/26/623719426.db2.gz IHWMTHATKYZAOR-UHFFFAOYSA-N 0 0 311.360 3.349 20 10 DGCDRN C[C@H]1CCN(Cc2cc(Br)ccc2O)C[C@@H]1F ZINC000779148219 623735123 /nfs/dbraw/zinc/73/51/23/623735123.db2.gz GYBCNLOWEXVILV-CABZTGNLSA-N 0 0 302.187 3.335 20 10 DGCDRN O=[N+]([O-])c1cc(CN2CC=CCC2)ccc1N1CCCCC1 ZINC000779159329 623736779 /nfs/dbraw/zinc/73/67/79/623736779.db2.gz FMOJYQFYRSKREA-UHFFFAOYSA-N 0 0 301.390 3.347 20 10 DGCDRN CC(C)COc1cccc(CNC(=O)c2cccc(O)c2O)c1 ZINC000790575082 625672150 /nfs/dbraw/zinc/67/21/50/625672150.db2.gz DPZYUEKUDXXRTK-UHFFFAOYSA-N 0 0 315.369 3.063 20 10 DGCDRN CCOc1ccc(N(C)Cc2nc3ccc(OC)nc3[nH]2)cc1 ZINC000779221732 623743984 /nfs/dbraw/zinc/74/39/84/623743984.db2.gz AHKYUJUQAMLANE-UHFFFAOYSA-N 0 0 312.373 3.002 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccc2c(c1)OCO2 ZINC000876919591 623744216 /nfs/dbraw/zinc/74/42/16/623744216.db2.gz WWZRBINFFUWWQG-SECBINFHSA-N 0 0 307.296 3.250 20 10 DGCDRN [O-]c1c(C[NH2+]Cc2ccc(OCC3CC3)nc2)ccc(F)c1F ZINC000876999726 623763335 /nfs/dbraw/zinc/76/33/35/623763335.db2.gz WPDKMUMGAOXEQO-UHFFFAOYSA-N 0 0 320.339 3.144 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc2ccccc2n1 ZINC000779499940 623775146 /nfs/dbraw/zinc/77/51/46/623775146.db2.gz JGVGFKJFDUIWHH-POHAHGRESA-N 0 0 306.321 3.298 20 10 DGCDRN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1c(F)cccc1F ZINC000779501067 623775277 /nfs/dbraw/zinc/77/52/77/623775277.db2.gz UCHQJCZTYVBKPD-PCGIRMHASA-N 0 0 319.307 3.267 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N(CCc1ccccc1)C1CC1 ZINC000779507285 623775712 /nfs/dbraw/zinc/77/57/12/623775712.db2.gz YKMHEYIYIIHSFB-YRNVUSSQSA-N 0 0 323.392 3.345 20 10 DGCDRN Cc1ccc(CN(C(=O)/C=C\c2ccc(O)c(O)c2)C2CC2)o1 ZINC000779502947 623776023 /nfs/dbraw/zinc/77/60/23/623776023.db2.gz XYSJERADEHYNEF-WTKPLQERSA-N 0 0 313.353 3.204 20 10 DGCDRN CCC[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccn1 ZINC000779513959 623776707 /nfs/dbraw/zinc/77/67/07/623776707.db2.gz ZFZIZDRYJLEEFK-WKTRQSJXSA-N 0 0 312.369 3.164 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CCc2ccccc2C1 ZINC000779521639 623776815 /nfs/dbraw/zinc/77/68/15/623776815.db2.gz YWRLAQIWZORMBV-YYRKOSNBSA-N 0 0 323.392 3.032 20 10 DGCDRN Cc1ccccc1CC1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000779527378 623777186 /nfs/dbraw/zinc/77/71/86/623777186.db2.gz KUNYNQPOVICPCX-VQHVLOKHSA-N 0 0 323.392 3.121 20 10 DGCDRN CCC(CC)[C@H](CCNC(=O)/C=C/c1ccc(O)c(O)c1)OC ZINC000779535974 623778056 /nfs/dbraw/zinc/77/80/56/623778056.db2.gz GHGOJVLBGUQDIK-LKUPDRCFSA-N 0 0 321.417 3.069 20 10 DGCDRN CC[C@@H](CO)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000779616154 623781748 /nfs/dbraw/zinc/78/17/48/623781748.db2.gz QDRGWDKQTXHXGN-INIZCTEOSA-N 0 0 318.461 3.090 20 10 DGCDRN O=C(/C=C\c1cncc(O)c1)N1CCCSc2ccccc21 ZINC000779653691 623784992 /nfs/dbraw/zinc/78/49/92/623784992.db2.gz UIOJDSYJWPXQQV-SREVYHEPSA-N 0 0 312.394 3.329 20 10 DGCDRN COc1ccc([C@@H]2C[C@H]2CC(=O)N(C)c2ccc(N)cc2)cc1 ZINC000877074700 623785228 /nfs/dbraw/zinc/78/52/28/623785228.db2.gz QFIBVYVOLALRIN-KSSFIOAISA-N 0 0 310.397 3.434 20 10 DGCDRN O=C(/C=C\c1cncc(O)c1)N1CC2(CCC2)c2c1cccc2F ZINC000779660211 623785753 /nfs/dbraw/zinc/78/57/53/623785753.db2.gz AYHHMLJMWSJJBS-WAYWQWQTSA-N 0 0 324.355 3.408 20 10 DGCDRN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N(C)c2ccc(N)cc2)c1 ZINC000877080948 623786411 /nfs/dbraw/zinc/78/64/11/623786411.db2.gz SAKTUEGIZICLLN-SJKOYZFVSA-N 0 0 323.396 3.140 20 10 DGCDRN Cc1ccc(NCc2ccc(N3CCC(O)CC3)cc2)c(C)n1 ZINC000877116290 623794078 /nfs/dbraw/zinc/79/40/78/623794078.db2.gz VRPUOQMDIITDCK-UHFFFAOYSA-N 0 0 311.429 3.272 20 10 DGCDRN CC/C(C)=C(/C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000779874634 623824937 /nfs/dbraw/zinc/82/49/37/623824937.db2.gz RJLDWTLTRCEYRW-FCFCDCELSA-N 0 0 316.445 3.447 20 10 DGCDRN Cc1cccc(O)c1CNc1ccc(N2CCOCC2)c(C)c1 ZINC000877197284 623825346 /nfs/dbraw/zinc/82/53/46/623825346.db2.gz RDLKZAVAQPZUPP-UHFFFAOYSA-N 0 0 312.413 3.458 20 10 DGCDRN CC[C@@H](O)CN(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000126449185 623846403 /nfs/dbraw/zinc/84/64/03/623846403.db2.gz TYTLZXDKQPMCKT-CQSZACIVSA-N 0 0 319.426 3.297 20 10 DGCDRN CC(C)[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000780183106 623873758 /nfs/dbraw/zinc/87/37/58/623873758.db2.gz CIXMVQHKLHDJON-MRXNPFEDSA-N 0 0 303.450 3.330 20 10 DGCDRN COC(=O)[C@H](NCc1ccc(C)cc1O)c1ccc(C)c(C)c1 ZINC000877427589 623878417 /nfs/dbraw/zinc/87/84/17/623878417.db2.gz NFFYPZVMSJYMHR-GOSISDBHSA-N 0 0 313.397 3.321 20 10 DGCDRN CO[C@H](CN(C)c1ccc(OC(C)C)cc1)C1CCOCC1 ZINC000877477811 623901000 /nfs/dbraw/zinc/90/10/00/623901000.db2.gz HRHUQNFJWINBHC-GOSISDBHSA-N 0 0 307.434 3.352 20 10 DGCDRN Cc1ccc([C@H](O)[C@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])cc1 ZINC000877516912 623919873 /nfs/dbraw/zinc/91/98/73/623919873.db2.gz GJBFUOAPZMRJOU-MEDUHNTESA-N 0 0 307.340 3.191 20 10 DGCDRN [O-]c1c(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)ccc(F)c1F ZINC000877563464 623943548 /nfs/dbraw/zinc/94/35/48/623943548.db2.gz NRSJGRJSIVPSOJ-NWANDNLSSA-N 0 0 311.372 3.186 20 10 DGCDRN [O-]c1c(C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)ccc(F)c1F ZINC000877568820 623945899 /nfs/dbraw/zinc/94/58/99/623945899.db2.gz BRDVNZQCTAFWMH-UKRRQHHQSA-N 0 0 320.339 3.075 20 10 DGCDRN Cc1ccc(CN[C@@H](C[C@H]2CCCO2)C(F)(F)F)c(O)c1 ZINC000877618990 623965175 /nfs/dbraw/zinc/96/51/75/623965175.db2.gz LDMGNVNAUQXNHP-OCCSQVGLSA-N 0 0 303.324 3.290 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Cc2ccc(Cl)c(F)c2)c1 ZINC000790712751 625689001 /nfs/dbraw/zinc/68/90/01/625689001.db2.gz LSMJUQDYYAIORY-UHFFFAOYSA-N 0 0 323.751 3.052 20 10 DGCDRN [O-]c1c(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)ccc(F)c1F ZINC000877636507 623972332 /nfs/dbraw/zinc/97/23/32/623972332.db2.gz ZEWCEQOEEWILEO-UHFFFAOYSA-N 0 0 309.356 3.061 20 10 DGCDRN Cc1ccc(CN2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)c(O)c1 ZINC000877639676 623974319 /nfs/dbraw/zinc/97/43/19/623974319.db2.gz OLFUOSRBBDBRLY-YPMHNXCESA-N 0 0 303.324 3.242 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H](OCc2ccccn2)C1 ZINC000877645506 623976465 /nfs/dbraw/zinc/97/64/65/623976465.db2.gz NJTBFSOUCOAMFE-HNNXBMFYSA-N 0 0 318.804 3.232 20 10 DGCDRN Cc1ccc(C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c(O)c1O ZINC000780888611 623994219 /nfs/dbraw/zinc/99/42/19/623994219.db2.gz LTSZZEMSLZUVGS-WHOFXGATSA-N 0 0 303.402 3.447 20 10 DGCDRN Cc1ccc(C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@H]32)c(O)c1O ZINC000780888606 623994615 /nfs/dbraw/zinc/99/46/15/623994615.db2.gz LTSZZEMSLZUVGS-CORIIIEPSA-N 0 0 303.402 3.447 20 10 DGCDRN [O-]c1c(C[NH2+]Cc2cccc3c2CCOC3)ccc(F)c1F ZINC000877697498 623994935 /nfs/dbraw/zinc/99/49/35/623994935.db2.gz IPSSAZZADQYTLL-UHFFFAOYSA-N 0 0 305.324 3.033 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)C1CCC(OC)CC1 ZINC000780899309 623995270 /nfs/dbraw/zinc/99/52/70/623995270.db2.gz OPFXYQVXLGBWCV-UHFFFAOYSA-N 0 0 305.418 3.336 20 10 DGCDRN COc1ccc2cc(NC(=O)c3ccc(C)c(O)c3O)ccc2n1 ZINC000780927195 623999313 /nfs/dbraw/zinc/99/93/13/623999313.db2.gz OVVDPKXAJRCJAF-UHFFFAOYSA-N 0 0 324.336 3.215 20 10 DGCDRN CN1Cc2ccccc2[C@@H]1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000877732449 624007891 /nfs/dbraw/zinc/00/78/91/624007891.db2.gz FTUGFHVQHLDBFB-INIZCTEOSA-N 0 0 302.805 3.322 20 10 DGCDRN C[N@@H+]1CC[C@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])CC[C@H]21 ZINC000877744636 624016968 /nfs/dbraw/zinc/01/69/68/624016968.db2.gz WFCGXPSRSSYFAC-IINYFYTJSA-N 0 0 315.244 3.225 20 10 DGCDRN CC(C)(O)C1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000877752174 624020101 /nfs/dbraw/zinc/02/01/01/624020101.db2.gz NVDVWGRRWQXUCY-UHFFFAOYSA-N 0 0 301.789 3.168 20 10 DGCDRN O=c1[nH]c2c(cc1C[NH2+]Cc1cccc(Cl)c1[O-])CCCC2 ZINC000877780448 624033646 /nfs/dbraw/zinc/03/36/46/624033646.db2.gz RBMWIHGUDWRETL-UHFFFAOYSA-N 0 0 318.804 3.315 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1cccc2c1NC(=O)CO2 ZINC000877778008 624033716 /nfs/dbraw/zinc/03/37/16/624033716.db2.gz IZUVRGRBZGPABV-UHFFFAOYSA-N 0 0 311.385 3.004 20 10 DGCDRN O=C(N[C@H]1C[C@H]1c1c(F)cccc1Cl)c1cccc(O)c1O ZINC000790767476 625694484 /nfs/dbraw/zinc/69/44/84/625694484.db2.gz LJSCYFBWTYDNJW-SKDRFNHKSA-N 0 0 321.735 3.176 20 10 DGCDRN CC[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@@H](O)c1ccccc1 ZINC000877832538 624061569 /nfs/dbraw/zinc/06/15/69/624061569.db2.gz NDQMUUKONVACEL-ZBFHGGJFSA-N 0 0 307.340 3.272 20 10 DGCDRN CC[C@H](C)n1ncc(C(=O)N(C)Cc2ccccc2O)c1C ZINC000790772470 625695629 /nfs/dbraw/zinc/69/56/29/625695629.db2.gz MBQLGFQBGCZMTB-LBPRGKRZSA-N 0 0 301.390 3.140 20 10 DGCDRN CC1(C)N[C@H](c2cc(Cl)ccc2O)N(CC2CCCC2)C1=O ZINC000877856575 624070094 /nfs/dbraw/zinc/07/00/94/624070094.db2.gz FCUXHYMERJZPEW-HNNXBMFYSA-N 0 0 322.836 3.445 20 10 DGCDRN O=C1N[C@H](c2cccc(Cl)c2O)Nc2cc(F)c(F)cc21 ZINC000877859368 624072653 /nfs/dbraw/zinc/07/26/53/624072653.db2.gz RJWZWEGLMOSTQN-CYBMUJFWSA-N 0 0 310.687 3.178 20 10 DGCDRN C[C@H]1CC[C@@]2(CCN(C(=O)NCc3ccc(N(C)C)cc3)C2)C1 ZINC000781610061 624104239 /nfs/dbraw/zinc/10/42/39/624104239.db2.gz QYJSXZALQUSLOG-HNAYVOBHSA-N 0 0 315.461 3.474 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H](C)c2cn[nH]c2)c1 ZINC000781636244 624111733 /nfs/dbraw/zinc/11/17/33/624111733.db2.gz PPQQCZVJYNQXAS-VIFPVBQESA-N 0 0 310.195 3.037 20 10 DGCDRN Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(N(C)C)cc2)n1 ZINC000781661698 624118540 /nfs/dbraw/zinc/11/85/40/624118540.db2.gz XZLCOGPXLWJERV-UHFFFAOYSA-N 0 0 300.362 3.285 20 10 DGCDRN Cc1cc(Br)c(O)c(CN2CCOCC2(C)C)c1 ZINC000781903062 624168076 /nfs/dbraw/zinc/16/80/76/624168076.db2.gz WUNNOZHDLCYQCR-UHFFFAOYSA-N 0 0 314.223 3.074 20 10 DGCDRN CC[C@@H]1COCCN1Cc1cc(C)cc(Br)c1O ZINC000781901092 624168134 /nfs/dbraw/zinc/16/81/34/624168134.db2.gz MAEQQYLOTQRCCM-GFCCVEGCSA-N 0 0 314.223 3.074 20 10 DGCDRN CSC[C@@H](O)CN(C)c1ccc(OCc2ccccc2)cc1 ZINC000781964066 624180355 /nfs/dbraw/zinc/18/03/55/624180355.db2.gz OAEYDJDVPATGAJ-KRWDZBQOSA-N 0 0 317.454 3.426 20 10 DGCDRN COc1cc(N(C)C[C@@H]2C[C@@H]3CCC[C@@H]3O2)cc(OC)c1OC ZINC000878128539 624180932 /nfs/dbraw/zinc/18/09/32/624180932.db2.gz FRCGOPAZUPXFMY-QEJZJMRPSA-N 0 0 321.417 3.106 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)/C=C/c1ccc(Cl)nc1 ZINC000129611691 625707399 /nfs/dbraw/zinc/70/73/99/625707399.db2.gz XTJFFGZIFKFKFW-VQHVLOKHSA-N 0 0 302.761 3.112 20 10 DGCDRN COc1ccc(O)c([C@H](C)N[C@@H](C(=O)OC(C)(C)C)C2CC2)c1 ZINC000878360768 624256157 /nfs/dbraw/zinc/25/61/57/624256157.db2.gz RJPPGARLVXSVKC-MEDUHNTESA-N 0 0 321.417 3.172 20 10 DGCDRN CO[C@@H](C)CCC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000782608294 624266489 /nfs/dbraw/zinc/26/64/89/624266489.db2.gz NTOUXCTUNXZFFT-HNNXBMFYSA-N 0 0 304.434 3.108 20 10 DGCDRN C[C@@H](NC(=O)N1C[C@@H](C)O[C@H](C)[C@H]1C)c1ccc(N(C)C)cc1 ZINC000782623516 624268113 /nfs/dbraw/zinc/26/81/13/624268113.db2.gz YKFUZKZFYZCFGS-KBUPBQIOSA-N 0 0 319.449 3.021 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccnc(C3CC3)c2)cc1F ZINC000783044749 624303693 /nfs/dbraw/zinc/30/36/93/624303693.db2.gz UWGWECQCUOMNTL-UHFFFAOYSA-N 0 0 313.376 3.094 20 10 DGCDRN C[C@H]1CCCC[C@@H]1CC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783199651 624322958 /nfs/dbraw/zinc/32/29/58/624322958.db2.gz PRJRDRGFMIYWSO-NWDGAFQWSA-N 0 0 306.358 3.040 20 10 DGCDRN C[C@@H]1CCCC[C@@H]1CC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783199653 624322966 /nfs/dbraw/zinc/32/29/66/624322966.db2.gz PRJRDRGFMIYWSO-VXGBXAGGSA-N 0 0 306.358 3.040 20 10 DGCDRN C[C@@H](CC(=O)OCC(=O)c1ccc(O)c(O)c1)C1CCCCC1 ZINC000783357262 624339619 /nfs/dbraw/zinc/33/96/19/624339619.db2.gz PNQKDCHBQLFSLT-LBPRGKRZSA-N 0 0 320.385 3.430 20 10 DGCDRN CN(Cc1ccnn1-c1ccccc1)c1ccc2c(c1)OCO2 ZINC000790917414 625714656 /nfs/dbraw/zinc/71/46/56/625714656.db2.gz SYHAJDUFQWOMDC-UHFFFAOYSA-N 0 0 307.353 3.237 20 10 DGCDRN O=C(/C=C\c1ccc[nH]1)NCc1ccc(N2CCCCC2)cc1 ZINC000783586547 624370958 /nfs/dbraw/zinc/37/09/58/624370958.db2.gz WTJYTUQFMXWREH-FLIBITNWSA-N 0 0 309.413 3.335 20 10 DGCDRN Cc1cc(-c2nnc(COC(=O)C3=CC(=O)CS3)o2)c(C)o1 ZINC000783607689 624373925 /nfs/dbraw/zinc/37/39/25/624373925.db2.gz JJLMGHZJMYTJCZ-UHFFFAOYSA-N 0 0 320.326 3.071 20 10 DGCDRN CCCN(CCC)c1ccc(CN2CC(=O)N(C3CC3)C2)cc1 ZINC000790942514 625718774 /nfs/dbraw/zinc/71/87/74/625718774.db2.gz GIVCBMFXUYZZIZ-UHFFFAOYSA-N 0 0 315.461 3.077 20 10 DGCDRN CN1CCCC(C)(C)[C@H]1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000790928613 625715599 /nfs/dbraw/zinc/71/55/99/625715599.db2.gz VVYKXYOKFFKWOD-CQSZACIVSA-N 0 0 314.832 3.395 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)C[C@H](C)O)c(C)n1-c1cccc(C)c1 ZINC000783628483 624376571 /nfs/dbraw/zinc/37/65/71/624376571.db2.gz KQGSCEWDMOLVCE-HIFRSBDPSA-N 0 0 314.429 3.292 20 10 DGCDRN Cc1nc2cc(NC(=O)c3cccc(O)c3O)ccc2s1 ZINC000790927433 625715743 /nfs/dbraw/zinc/71/57/43/625715743.db2.gz HFINPVDYIXXIFQ-UHFFFAOYSA-N 0 0 300.339 3.268 20 10 DGCDRN Cc1c(C[N@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])cnn1C ZINC000790938210 625718877 /nfs/dbraw/zinc/71/88/77/625718877.db2.gz QKHVZUHXPMVRIA-UHFFFAOYSA-N 0 0 314.216 3.373 20 10 DGCDRN Cc1ccc(NC(=O)N[C@H](C)c2ccccc2O)c(N(C)C)n1 ZINC000879001908 624405793 /nfs/dbraw/zinc/40/57/93/624405793.db2.gz MLXLNVUMTHWSOO-GFCCVEGCSA-N 0 0 314.389 3.044 20 10 DGCDRN CCOc1ccc(N(Cc2cnnn2CC)CC2CC2)cc1 ZINC000879117552 624431431 /nfs/dbraw/zinc/43/14/31/624431431.db2.gz WINWFLYAAJHNSG-UHFFFAOYSA-N 0 0 300.406 3.113 20 10 DGCDRN CC1(C)CCC[C@@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)C1 ZINC000784365319 624511689 /nfs/dbraw/zinc/51/16/89/624511689.db2.gz JYCFAEZTOFHFPD-GFCCVEGCSA-N 0 0 306.358 3.040 20 10 DGCDRN CCCC(=CC(=O)OCC(=O)c1ccc(O)c(O)c1)CCC ZINC000784504932 624537076 /nfs/dbraw/zinc/53/70/76/624537076.db2.gz HJNBJAMPSOWMST-UHFFFAOYSA-N 0 0 306.358 3.350 20 10 DGCDRN CCN(C[C@@H](C)NC(=O)OC(C)(C)C)c1ccc(OC)cc1 ZINC000785465236 624670902 /nfs/dbraw/zinc/67/09/02/624670902.db2.gz DYBDSCXVXNOMTJ-CYBMUJFWSA-N 0 0 308.422 3.435 20 10 DGCDRN CC(C)([NH2+]Cc1c([O-])ccc(Cl)c1F)C1CCOCC1 ZINC000785611936 624699494 /nfs/dbraw/zinc/69/94/94/624699494.db2.gz UQLJNTHAQIQXPD-UHFFFAOYSA-N 0 0 301.789 3.480 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2CCCC(C)(C)C2)c1 ZINC000785873626 624748013 /nfs/dbraw/zinc/74/80/13/624748013.db2.gz UYFYBDDIOYSQLA-CYBMUJFWSA-N 0 0 306.406 3.169 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1scnc1COC ZINC000786330278 624851143 /nfs/dbraw/zinc/85/11/43/624851143.db2.gz JEZRUGIQHJHVFW-UHFFFAOYSA-N 0 0 320.414 3.048 20 10 DGCDRN Cc1cc(C(=O)NCc2ccccc2O)c2nccc(C)c2c1 ZINC000786389599 624870162 /nfs/dbraw/zinc/87/01/62/624870162.db2.gz DDUZEOZETDEMBR-UHFFFAOYSA-N 0 0 306.365 3.487 20 10 DGCDRN C[C@@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@H]1C ZINC000128345614 624908851 /nfs/dbraw/zinc/90/88/51/624908851.db2.gz YGHCBCRHEIGYCY-CVEARBPZSA-N 0 0 313.445 3.250 20 10 DGCDRN CC[C@H]([NH2+][C@H]1CCC[C@H]1C(=O)NC)c1cccc(Cl)c1[O-] ZINC000806150155 624913383 /nfs/dbraw/zinc/91/33/83/624913383.db2.gz MHIZBAIZENNQKA-XBFCOCLRSA-N 0 0 310.825 3.001 20 10 DGCDRN Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000786574819 624924160 /nfs/dbraw/zinc/92/41/60/624924160.db2.gz GHFLOTRIPIAMNS-SWLSCSKDSA-N 0 0 321.367 3.233 20 10 DGCDRN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cc(Cl)cc(C)c1O ZINC000786578121 624925032 /nfs/dbraw/zinc/92/50/32/624925032.db2.gz HUNXIVUBPUAPET-GLQYFDAESA-N 0 0 323.820 3.128 20 10 DGCDRN Cc1ccccc1C[C@@H](CO)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000786583252 624926173 /nfs/dbraw/zinc/92/61/73/624926173.db2.gz QBQUBEUZUOQOMZ-DOMZBBRYSA-N 0 0 321.367 3.233 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)CCC(C)(C)O)cc1 ZINC000786764728 624952038 /nfs/dbraw/zinc/95/20/38/624952038.db2.gz GVGCWHVCEZVSQD-UHFFFAOYSA-N 0 0 306.450 3.042 20 10 DGCDRN CCc1ccc(CNC(=O)COc2ccc(N(C)C)cc2)s1 ZINC000786862554 624959481 /nfs/dbraw/zinc/95/94/81/624959481.db2.gz DUBVVSJLTJHKAN-UHFFFAOYSA-N 0 0 318.442 3.072 20 10 DGCDRN CN(C)c1ccc(OCC(=O)NC2(c3ccccc3)CCC2)cc1 ZINC000786876832 624960061 /nfs/dbraw/zinc/96/00/61/624960061.db2.gz OGOKGWAMFGPUOJ-UHFFFAOYSA-N 0 0 324.424 3.327 20 10 DGCDRN C[C@H](c1cn(-c2ccccc2)nn1)N(C)Cc1ccccc1O ZINC000128445731 624965131 /nfs/dbraw/zinc/96/51/31/624965131.db2.gz CDANLEYHGFHCKR-CQSZACIVSA-N 0 0 308.385 3.166 20 10 DGCDRN C[C@@H]([NH2+]CCc1ccc(F)c(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000786940168 624966347 /nfs/dbraw/zinc/96/63/47/624966347.db2.gz PURUQXWJGFHAQK-SNVBAGLBSA-N 0 0 322.311 3.472 20 10 DGCDRN Cc1c(N[C@@H](C)c2ccccc2O)cccc1N1CCNC1=O ZINC000786985170 624969910 /nfs/dbraw/zinc/96/99/10/624969910.db2.gz LZXRPXOWUPTNTC-ZDUSSCGKSA-N 0 0 311.385 3.403 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)cc1F ZINC000787211848 624988873 /nfs/dbraw/zinc/98/88/73/624988873.db2.gz SEOYFPLDAZBZJT-XOIINTDNSA-N 0 0 319.424 3.270 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000787405091 625007417 /nfs/dbraw/zinc/00/74/17/625007417.db2.gz CXDNZTWOJPBOTR-BCDXTJNWSA-N 0 0 315.461 3.471 20 10 DGCDRN CCOC(=O)[C@@H](CC)N(Cc1cc(C)c(C)cc1O)C1CC1 ZINC000787438579 625011005 /nfs/dbraw/zinc/01/10/05/625011005.db2.gz CMSLZGPBKNWUAJ-MRXNPFEDSA-N 0 0 305.418 3.315 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC000888829815 625011873 /nfs/dbraw/zinc/01/18/73/625011873.db2.gz IMANDPBSQABHDC-ZBEGNZNMSA-N 0 0 300.383 3.000 20 10 DGCDRN C[C@@H](O)COC(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC000787587321 625022055 /nfs/dbraw/zinc/02/20/55/625022055.db2.gz YPGYEZMYMUQFIP-LLVKDONJSA-N 0 0 300.314 3.345 20 10 DGCDRN CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccnn1C ZINC000788260117 625108247 /nfs/dbraw/zinc/10/82/47/625108247.db2.gz TXPRAEMNUFDNDA-SWLSCSKDSA-N 0 0 305.397 3.355 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2ccc3c(c2)CCC=C3)c1 ZINC000788299292 625118958 /nfs/dbraw/zinc/11/89/58/625118958.db2.gz RGVJKRVKISUYBU-UHFFFAOYSA-N 0 0 309.365 3.290 20 10 DGCDRN CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788590851 625222065 /nfs/dbraw/zinc/22/20/65/625222065.db2.gz HBEZBEANPYSSOV-OUJBWJOFSA-N 0 0 305.340 3.469 20 10 DGCDRN C[C@H](O)CCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000788603778 625225010 /nfs/dbraw/zinc/22/50/10/625225010.db2.gz DRZCYNAUPRZOPQ-IUCAKERBSA-N 0 0 320.202 3.105 20 10 DGCDRN C[C@H](CO)CCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788685105 625242851 /nfs/dbraw/zinc/24/28/51/625242851.db2.gz GQCUBBBQKHNXEU-QWRGUYRKSA-N 0 0 305.340 3.470 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788816547 625275823 /nfs/dbraw/zinc/27/58/23/625275823.db2.gz SNTMPQGMKYFDFN-DCAQKATOSA-N 0 0 303.324 3.487 20 10 DGCDRN C/C=C(\CC)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000788832374 625276631 /nfs/dbraw/zinc/27/66/31/625276631.db2.gz OAODUBMPHHAVKY-KMUBYUNESA-N 0 0 302.418 3.057 20 10 DGCDRN C[C@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)N1CCC[C@H](C)C1 ZINC000790948012 625719937 /nfs/dbraw/zinc/71/99/37/625719937.db2.gz CXXROVPITFBOCN-NWDGAFQWSA-N 0 0 314.832 3.395 20 10 DGCDRN C[C@@H]1CCCCN1CC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790949746 625720473 /nfs/dbraw/zinc/72/04/73/625720473.db2.gz OMXOUAKFDDLDMB-LLVKDONJSA-N 0 0 300.805 3.149 20 10 DGCDRN CC1CCN(CC[NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000790950118 625721095 /nfs/dbraw/zinc/72/10/95/625721095.db2.gz UERRGVJFCJUXNW-UHFFFAOYSA-N 0 0 300.805 3.006 20 10 DGCDRN O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790962816 625723686 /nfs/dbraw/zinc/72/36/86/625723686.db2.gz TUHHDDMPBHHUBO-GFCCVEGCSA-N 0 0 322.767 3.453 20 10 DGCDRN CCN1CCCC[C@@H]1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790961631 625723872 /nfs/dbraw/zinc/72/38/72/625723872.db2.gz YROXXXSCMICZIP-LLVKDONJSA-N 0 0 300.805 3.149 20 10 DGCDRN Oc1ccc(Cl)c(F)c1CNc1ccn(CC(F)F)n1 ZINC000790976412 625727749 /nfs/dbraw/zinc/72/77/49/625727749.db2.gz BOVDISBBEWJGSH-UHFFFAOYSA-N 0 0 305.687 3.258 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)c1 ZINC000790995337 625733416 /nfs/dbraw/zinc/73/34/16/625733416.db2.gz NQBOYHQXZUPFNY-HNNXBMFYSA-N 0 0 320.389 3.272 20 10 DGCDRN Cc1ccc(C(=O)NC[C@H]2CCC3(CCCCC3)O2)c(O)c1O ZINC000791188021 625759535 /nfs/dbraw/zinc/75/95/35/625759535.db2.gz GIRKMLRVZDZXTA-CYBMUJFWSA-N 0 0 319.401 3.018 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N(C)c1nccn1C ZINC000791248772 625765476 /nfs/dbraw/zinc/76/54/76/625765476.db2.gz SGRYXHCBOOQAOL-UHFFFAOYSA-N 0 0 322.412 3.413 20 10 DGCDRN Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1cccnc1F ZINC000882709245 625794930 /nfs/dbraw/zinc/79/49/30/625794930.db2.gz SMCRINOHXDXSKH-UHFFFAOYSA-N 0 0 324.377 3.159 20 10 DGCDRN Cc1nc2ccc(C(=O)NCc3ccc(N(C)C)cc3C)cc2o1 ZINC000791595726 625832816 /nfs/dbraw/zinc/83/28/16/625832816.db2.gz XPCHHYPVNCXVKI-UHFFFAOYSA-N 0 0 323.396 3.441 20 10 DGCDRN CC[C@@H](SC)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000130275925 625834043 /nfs/dbraw/zinc/83/40/43/625834043.db2.gz UWKUAJLQXHIKLI-OAHLLOKOSA-N 0 0 312.454 3.430 20 10 DGCDRN O=C1/C(=C/c2ccsc2)SC(=S)N1Cc1ccon1 ZINC000130338140 625840359 /nfs/dbraw/zinc/84/03/59/625840359.db2.gz QOLWEBKAHKIQKK-YHYXMXQVSA-N 0 0 308.409 3.138 20 10 DGCDRN CN(C)[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])c1cccc(F)c1 ZINC000882878130 625842393 /nfs/dbraw/zinc/84/23/93/625842393.db2.gz RCTLSZTVSDNVDJ-MRXNPFEDSA-N 0 0 324.346 3.202 20 10 DGCDRN C[N@H+](Cc1cccc(Br)c1[O-])[C@@H]1CCSC1 ZINC000130576058 625875628 /nfs/dbraw/zinc/87/56/28/625875628.db2.gz CUGRHJMDYNEXOB-SNVBAGLBSA-N 0 0 302.237 3.092 20 10 DGCDRN COc1ccc(C2([NH2+]Cc3cc(F)cc(F)c3[O-])CC2)cc1 ZINC000882990966 625887695 /nfs/dbraw/zinc/88/76/95/625887695.db2.gz HDNRBKURCKXEJB-UHFFFAOYSA-N 0 0 305.324 3.458 20 10 DGCDRN CC1(CCNC(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000792029560 625901409 /nfs/dbraw/zinc/90/14/09/625901409.db2.gz WFLAFCBBJBYCBT-UHFFFAOYSA-N 0 0 301.434 3.276 20 10 DGCDRN Cn1cc([C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C(C)(C)C)cn1 ZINC000883027985 625901949 /nfs/dbraw/zinc/90/19/49/625901949.db2.gz WSAHGMUSLXRVKY-HNNXBMFYSA-N 0 0 309.360 3.281 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC(C)(C)C(F)F)cc1 ZINC000792041353 625904076 /nfs/dbraw/zinc/90/40/76/625904076.db2.gz UPWXXMCIAOQNRP-UHFFFAOYSA-N 0 0 313.392 3.376 20 10 DGCDRN CC[C@@H](CCO)CNC(=O)c1sccc1-n1c(C)ccc1C ZINC000130847334 625911586 /nfs/dbraw/zinc/91/15/86/625911586.db2.gz NUUIVXMPAOXTPG-AWEZNQCLSA-N 0 0 320.458 3.294 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC1([C@H](O)c2ccccc2)CC1 ZINC000883074701 625917107 /nfs/dbraw/zinc/91/71/07/625917107.db2.gz GMZAGFZVIYEIGY-QGZVFWFLSA-N 0 0 319.351 3.274 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000792173042 625919225 /nfs/dbraw/zinc/91/92/25/625919225.db2.gz QBQPEJFGGMEXQI-NWDGAFQWSA-N 0 0 313.800 3.433 20 10 DGCDRN CC(C)(C)[C@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C[C@H]1O ZINC000792174128 625919734 /nfs/dbraw/zinc/91/97/34/625919734.db2.gz LRHISUKEEXDZRQ-SMDDNHRTSA-N 0 0 315.816 3.414 20 10 DGCDRN Cc1ccc(C[N@H+](CCO)Cc2c([O-])ccc(Cl)c2F)cc1 ZINC000792174680 625920996 /nfs/dbraw/zinc/92/09/96/625920996.db2.gz YZOJJCUUYORLPP-UHFFFAOYSA-N 0 0 323.795 3.488 20 10 DGCDRN CCN(CC)c1ccc(CN([C@H](C)C(=O)OC)C2CCC2)cc1 ZINC000792188968 625923063 /nfs/dbraw/zinc/92/30/63/625923063.db2.gz ZCBPFCHPFGZIDA-OAHLLOKOSA-N 0 0 318.461 3.449 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000883099204 625926445 /nfs/dbraw/zinc/92/64/45/625926445.db2.gz MQKUBTICYUZEFS-AWEZNQCLSA-N 0 0 309.287 3.423 20 10 DGCDRN CC[C@H](C(=O)OC(C)(C)C)N1CCOc2cc(N(C)C)ccc21 ZINC000792268673 625931985 /nfs/dbraw/zinc/93/19/85/625931985.db2.gz OTVBISIXGVNSOD-CQSZACIVSA-N 0 0 320.433 3.072 20 10 DGCDRN COCCCOc1ccc(NCc2ccccc2O)cc1OC ZINC000796458699 626052234 /nfs/dbraw/zinc/05/22/34/626052234.db2.gz JDJCPWDQGHTPIK-UHFFFAOYSA-N 0 0 317.385 3.428 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CSC[C@@H]2C)c1 ZINC000796480962 626054836 /nfs/dbraw/zinc/05/48/36/626054836.db2.gz BOKJBRDRMRXJNF-CABZTGNLSA-N 0 0 316.264 3.304 20 10 DGCDRN Oc1ccccc1CNc1cc(F)c(N2CCOCC2)cc1F ZINC000796528913 626059293 /nfs/dbraw/zinc/05/92/93/626059293.db2.gz JYUCKXZBHILMHY-UHFFFAOYSA-N 0 0 320.339 3.119 20 10 DGCDRN CC[C@H]([NH2+]CCN(C)CC(F)(F)F)c1ccc(F)cc1[O-] ZINC000796765489 626080183 /nfs/dbraw/zinc/08/01/83/626080183.db2.gz ZQLGCKHQKJRYGE-LBPRGKRZSA-N 0 0 308.319 3.066 20 10 DGCDRN CC[C@@H]([NH2+]CCCOC[C@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000796781040 626081784 /nfs/dbraw/zinc/08/17/84/626081784.db2.gz UMSNEMUVUNFOBU-CZUORRHYSA-N 0 0 311.397 3.015 20 10 DGCDRN CC[C@@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1ccc(F)cc1[O-] ZINC000796841341 626088706 /nfs/dbraw/zinc/08/87/06/626088706.db2.gz SDYRSYRVOVXJRB-IEBWSBKVSA-N 0 0 315.388 3.406 20 10 DGCDRN CCc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000797020622 626105019 /nfs/dbraw/zinc/10/50/19/626105019.db2.gz WEKIMLZBYKITKQ-KPZWWZAWSA-N 0 0 303.377 3.478 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000797190965 626124176 /nfs/dbraw/zinc/12/41/76/626124176.db2.gz SIDRNSLTQMVOFQ-PWSUYJOCSA-N 0 0 301.308 3.329 20 10 DGCDRN CC1=C[C@@H](C)CN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000797429721 626142629 /nfs/dbraw/zinc/14/26/29/626142629.db2.gz WLGXVKFIQBATQP-OAHLLOKOSA-N 0 0 313.445 3.394 20 10 DGCDRN CC1=C[C@H](C)CN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000797440993 626143240 /nfs/dbraw/zinc/14/32/40/626143240.db2.gz KTSFCAMWJKETBY-AWEZNQCLSA-N 0 0 313.445 3.177 20 10 DGCDRN CC(C)CN(C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000797442566 626143241 /nfs/dbraw/zinc/14/32/41/626143241.db2.gz CXOUDBGYFJYTEM-UHFFFAOYSA-N 0 0 303.450 3.425 20 10 DGCDRN C[C@@H]1CCC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1C ZINC000797763326 626167470 /nfs/dbraw/zinc/16/74/70/626167470.db2.gz RKJYIEZLLHQVPG-BAWJPVEYSA-N 0 0 303.402 3.300 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2[nH]ccc2C)cc1F ZINC000797867685 626175286 /nfs/dbraw/zinc/17/52/86/626175286.db2.gz RFDLKUAMBJPNNH-UHFFFAOYSA-N 0 0 303.381 3.238 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@H]2CCC(F)(F)C2)c1 ZINC000797942949 626183080 /nfs/dbraw/zinc/18/30/80/626183080.db2.gz LTJZTRMIFRJQKW-WDEREUQCSA-N 0 0 313.344 3.404 20 10 DGCDRN C[C@@H]([NH2+]CCCn1cccn1)c1cccc(C(F)(F)F)c1[O-] ZINC000798181782 626200559 /nfs/dbraw/zinc/20/05/59/626200559.db2.gz ZDYJAXRNLRLFOQ-LLVKDONJSA-N 0 0 313.323 3.348 20 10 DGCDRN CCOc1ccc(CNc2ccc(-c3cncnc3)cn2)c(O)c1 ZINC000798430453 626217719 /nfs/dbraw/zinc/21/77/19/626217719.db2.gz UFUAUAGPJSIXJX-UHFFFAOYSA-N 0 0 322.368 3.255 20 10 DGCDRN CCN(Cc1cnc(Cl)cn1)c1ccc(OC)c(OC)c1 ZINC000799129885 626275611 /nfs/dbraw/zinc/27/56/11/626275611.db2.gz YENOJKPVDIBJGO-UHFFFAOYSA-N 0 0 307.781 3.174 20 10 DGCDRN CCN(Cc1ncnn1-c1ccccc1)c1ccc(OC)cc1 ZINC000799129828 626275655 /nfs/dbraw/zinc/27/56/55/626275655.db2.gz WXASBTSQRWYIDD-UHFFFAOYSA-N 0 0 308.385 3.302 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Nc2cncc(F)c2)cc1 ZINC000799234042 626283178 /nfs/dbraw/zinc/28/31/78/626283178.db2.gz GIALJBVFKWZHRU-UHFFFAOYSA-N 0 0 316.380 3.389 20 10 DGCDRN COc1ccc(N(CCC(C)C)Cc2ncnn2CCF)cc1 ZINC000799323823 626289871 /nfs/dbraw/zinc/28/98/71/626289871.db2.gz DFBGBFWBIJONFR-UHFFFAOYSA-N 0 0 320.412 3.309 20 10 DGCDRN CO[C@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000799383731 626297391 /nfs/dbraw/zinc/29/73/91/626297391.db2.gz SNZOQXRBNXQXBL-JQFCIGGWSA-N 0 0 319.449 3.070 20 10 DGCDRN CO[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000799383218 626297458 /nfs/dbraw/zinc/29/74/58/626297458.db2.gz GRQFUCISXUIMBE-JKIFEVAISA-N 0 0 319.449 3.023 20 10 DGCDRN CO[C@H]1CCCC[C@@H]1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000799383729 626297617 /nfs/dbraw/zinc/29/76/17/626297617.db2.gz SNZOQXRBNXQXBL-COXVUDFISA-N 0 0 319.449 3.070 20 10 DGCDRN CCOCC1(C(=O)NCc2ccc(N3CCCCC3)cc2)CC1 ZINC000799589228 626312309 /nfs/dbraw/zinc/31/23/09/626312309.db2.gz MBOZIYHGIWPIMX-UHFFFAOYSA-N 0 0 316.445 3.110 20 10 DGCDRN Cc1cc(C(=O)N(C)CCCO)c(C)n1-c1cc(C)cc(C)c1 ZINC000799794312 626328802 /nfs/dbraw/zinc/32/88/02/626328802.db2.gz MKBRCKNXTWYOJU-UHFFFAOYSA-N 0 0 314.429 3.165 20 10 DGCDRN Cc1cc(C(=O)Oc2cnn(C)c2)c(C)n1-c1ccc(F)cc1 ZINC000800400519 626356524 /nfs/dbraw/zinc/35/65/24/626356524.db2.gz AUUOUYOHCCTKQW-UHFFFAOYSA-N 0 0 313.332 3.186 20 10 DGCDRN C[C@@H]1C[C@@H](NCc2ncnn2C(C)(C)C)c2c1c(F)ccc2O ZINC000800500073 626364733 /nfs/dbraw/zinc/36/47/33/626364733.db2.gz PPHKPLPTQWVXOE-ZYHUDNBSSA-N 0 0 318.396 3.216 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)COc1ccsc1 ZINC000800514279 626365953 /nfs/dbraw/zinc/36/59/53/626365953.db2.gz GGQUCEINLLHKRG-UHFFFAOYSA-N 0 0 305.399 3.271 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Cc1cccs1 ZINC000839914162 626369645 /nfs/dbraw/zinc/36/96/45/626369645.db2.gz RJHMDMUOUSRYIQ-AWEZNQCLSA-N 0 0 316.470 3.412 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CC[C@@H]1CCCO1 ZINC000839914816 626370104 /nfs/dbraw/zinc/37/01/04/626370104.db2.gz BWFSJILERMIOLJ-YJBOKZPZSA-N 0 0 318.461 3.067 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CSC(C)C ZINC000839916262 626370519 /nfs/dbraw/zinc/37/05/19/626370519.db2.gz QKCDSBZFUFYXQF-AWEZNQCLSA-N 0 0 308.491 3.250 20 10 DGCDRN CC[C@H](SC)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839920080 626373257 /nfs/dbraw/zinc/37/32/57/626373257.db2.gz KKOUUYJOKDPTEQ-BBRMVZONSA-N 0 0 308.491 3.250 20 10 DGCDRN CCCSCC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839920027 626373408 /nfs/dbraw/zinc/37/34/08/626373408.db2.gz ZRNJNOVOOGFFOA-CQSZACIVSA-N 0 0 308.491 3.251 20 10 DGCDRN Cc1ccn(C)c1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839920805 626373497 /nfs/dbraw/zinc/37/34/97/626373497.db2.gz FBOZLWSDTXEEAQ-OAHLLOKOSA-N 0 0 313.445 3.069 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H](C)C(F)(F)F ZINC000839919791 626373519 /nfs/dbraw/zinc/37/35/19/626373519.db2.gz TUZOODMRVLDBDX-NWDGAFQWSA-N 0 0 316.367 3.307 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1CCCCS1 ZINC000839921263 626373959 /nfs/dbraw/zinc/37/39/59/626373959.db2.gz YGCQMCGRQQGCKN-PBHICJAKSA-N 0 0 320.502 3.394 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@]1(C)CCCCO1 ZINC000839921315 626374185 /nfs/dbraw/zinc/37/41/85/626374185.db2.gz CHKIEOCDLBUWDZ-HNAYVOBHSA-N 0 0 318.461 3.067 20 10 DGCDRN O=C([C@H]1C[C@@H]1C(F)F)N(Cc1ccco1)Cc1ccccc1O ZINC000801168572 626396187 /nfs/dbraw/zinc/39/61/87/626396187.db2.gz GYGCREUVYDTMHL-KBPBESRZSA-N 0 0 321.323 3.415 20 10 DGCDRN CCc1csc(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000801200372 626397002 /nfs/dbraw/zinc/39/70/02/626397002.db2.gz KTTROOQYNZLEHK-LBPRGKRZSA-N 0 0 317.458 3.191 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)CCCn1ccnc1 ZINC000801544785 626409334 /nfs/dbraw/zinc/40/93/34/626409334.db2.gz APVOIOUDZGTENA-UHFFFAOYSA-N 0 0 315.417 3.198 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cnn2ccccc12 ZINC000801550065 626409573 /nfs/dbraw/zinc/40/95/73/626409573.db2.gz MTQVIELETVKVQF-UHFFFAOYSA-N 0 0 323.396 3.482 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Nc1ccc(OC(F)F)nc1 ZINC000801955738 626428128 /nfs/dbraw/zinc/42/81/28/626428128.db2.gz VTOXQZPLZGAYQO-UHFFFAOYSA-N 0 0 323.299 3.053 20 10 DGCDRN Cc1cc(C(=O)N2CCOCC23CC3)c(C)n1-c1cccc(C)c1 ZINC000802293606 626557901 /nfs/dbraw/zinc/55/79/01/626557901.db2.gz FRXWXFZDZJXDIK-UHFFFAOYSA-N 0 0 324.424 3.408 20 10 DGCDRN COCCCn1nccc1CN(C)c1ccc(OC)c(Cl)c1 ZINC000802646826 626564490 /nfs/dbraw/zinc/56/44/90/626564490.db2.gz RKDAIHOHNHSSAF-UHFFFAOYSA-N 0 0 323.824 3.218 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000802782587 626571634 /nfs/dbraw/zinc/57/16/34/626571634.db2.gz YMGACMFKWSEKKH-OAUYIBNBSA-N 0 0 311.381 3.382 20 10 DGCDRN O=C1Nc2ccc(F)cc2/C1=C\c1ccc(N2CCOCC2)cc1 ZINC000131220690 626608834 /nfs/dbraw/zinc/60/88/34/626608834.db2.gz SQNFVEJULQSIHN-GZTJUZNOSA-N 0 0 324.355 3.155 20 10 DGCDRN CCn1cnnc1NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000803527558 626621749 /nfs/dbraw/zinc/62/17/49/626621749.db2.gz TYONIPWTKVIMCD-UHFFFAOYSA-N 0 0 323.400 3.266 20 10 DGCDRN COc1ccc2c(c1)N(Cc1cccc(OC)c1O)C[C@@H](C)O2 ZINC000131300697 626622288 /nfs/dbraw/zinc/62/22/88/626622288.db2.gz LGXSIOVPVHANGH-GFCCVEGCSA-N 0 0 315.369 3.197 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2(C)CC(F)(F)C2)c1 ZINC000883256049 626625386 /nfs/dbraw/zinc/62/53/86/626625386.db2.gz MHNGGHKUOYKJEN-JTQLQIEISA-N 0 0 313.344 3.265 20 10 DGCDRN COc1ccc(N(C)C[C@@H](O)COc2cccc(C)c2)cc1F ZINC000131425995 626638322 /nfs/dbraw/zinc/63/83/22/626638322.db2.gz GNCJBNJPKJPFND-OAHLLOKOSA-N 0 0 319.376 3.019 20 10 DGCDRN C[C@H](NC1(c2ncccn2)CCC1)c1cc(F)cc(F)c1[O-] ZINC000883312055 626642282 /nfs/dbraw/zinc/64/22/82/626642282.db2.gz SEOUAYOMPMHDQW-JTQLQIEISA-N 0 0 305.328 3.190 20 10 DGCDRN Cc1ccc(O)c(CNc2cccc([C@]3(C)COC(=O)N3)c2)c1 ZINC000883326884 626648408 /nfs/dbraw/zinc/64/84/08/626648408.db2.gz MIDGBXGCYKWLPR-SFHVURJKSA-N 0 0 312.369 3.268 20 10 DGCDRN CC1(C)CCN(CN2CCCc3cc(OC(F)F)ccc32)C1=O ZINC000840034853 626664348 /nfs/dbraw/zinc/66/43/48/626664348.db2.gz FMFWODZDNBMGTQ-UHFFFAOYSA-N 0 0 324.371 3.257 20 10 DGCDRN CC[C@@H]([NH2+][C@@H]1CC(=O)N(CC2CC2)C1)c1cccc(Cl)c1[O-] ZINC000883395906 626671825 /nfs/dbraw/zinc/67/18/25/626671825.db2.gz DTLDHCJUMLVPBZ-IUODEOHRSA-N 0 0 322.836 3.097 20 10 DGCDRN C[C@H](Nc1ccc(F)cn1)c1ccc(N2CCOCC2)cc1 ZINC000804378510 626674742 /nfs/dbraw/zinc/67/47/42/626674742.db2.gz UPRCLWXRMIAMEJ-ZDUSSCGKSA-N 0 0 301.365 3.230 20 10 DGCDRN COc1ccc(N(C)CC(=O)N(C)[C@@H](C)CC(C)C)c(OC)c1 ZINC000131801267 626680633 /nfs/dbraw/zinc/68/06/33/626680633.db2.gz PJUJCHHWHYNANE-AWEZNQCLSA-N 0 0 322.449 3.033 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)c1ncc(SC)cn1 ZINC000804562170 626693173 /nfs/dbraw/zinc/69/31/73/626693173.db2.gz KDTICHYDYMJZHI-UHFFFAOYSA-N 0 0 302.447 3.291 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1c(F)cccc1[N+](=O)[O-] ZINC000804604999 626697096 /nfs/dbraw/zinc/69/70/96/626697096.db2.gz KZPPNOZEAFWKNE-SECBINFHSA-N 0 0 306.293 3.188 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H](O)COCC(C)C)c1cccc(Cl)c1[O-] ZINC000806133458 626701214 /nfs/dbraw/zinc/70/12/14/626701214.db2.gz NOLQMTUPXGJXKK-IUODEOHRSA-N 0 0 315.841 3.120 20 10 DGCDRN CC[C@@H]([NH2+]CCOC[C@H]1CCCO1)c1cccc(Cl)c1[O-] ZINC000806139911 626701891 /nfs/dbraw/zinc/70/18/91/626701891.db2.gz SHJBMRTVBSBTEF-IUODEOHRSA-N 0 0 313.825 3.282 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C(=O)NC)c1cccc(Cl)c1[O-] ZINC000806150152 626702269 /nfs/dbraw/zinc/70/22/69/626702269.db2.gz MHIZBAIZENNQKA-FPMFFAJLSA-N 0 0 310.825 3.001 20 10 DGCDRN CCCNC(=O)CCCSc1ncc(-c2ccccc2)n1C ZINC000840059187 626709132 /nfs/dbraw/zinc/70/91/32/626709132.db2.gz HAXLDGAWHYHDJK-UHFFFAOYSA-N 0 0 317.458 3.486 20 10 DGCDRN COc1ccc(N(C)Cc2noc3c2CCCC3)c(OC)c1 ZINC000132243947 626709792 /nfs/dbraw/zinc/70/97/92/626709792.db2.gz XRNPIUPZWFHNNR-UHFFFAOYSA-N 0 0 302.374 3.207 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCCC1(F)F ZINC000806432481 626715910 /nfs/dbraw/zinc/71/59/10/626715910.db2.gz MSCCXEMQRJAISU-OAHLLOKOSA-N 0 0 323.387 3.274 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC(F)CC1 ZINC000883694926 626727405 /nfs/dbraw/zinc/72/74/05/626727405.db2.gz QJAXJONVZIWJKS-CQSZACIVSA-N 0 0 321.440 3.136 20 10 DGCDRN CON(CC(C)(C)C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000806635400 626728872 /nfs/dbraw/zinc/72/88/72/626728872.db2.gz RFJPNRXNECFGOV-UHFFFAOYSA-N 0 0 319.449 3.188 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Cc2cc(F)c(F)cc2F)cc1 ZINC000132761360 626740087 /nfs/dbraw/zinc/74/00/87/626740087.db2.gz ZQIIXOAPFLLVPI-UHFFFAOYSA-N 0 0 322.330 3.029 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Cc2ccc(F)cc2Cl)cc1 ZINC000132761577 626740138 /nfs/dbraw/zinc/74/01/38/626740138.db2.gz XXSCNAIIIBOGSI-UHFFFAOYSA-N 0 0 320.795 3.404 20 10 DGCDRN CC(C)SCCNC(=O)NCCCSc1nccs1 ZINC000806958324 626741293 /nfs/dbraw/zinc/74/12/93/626741293.db2.gz GLOCWPLXAQXZNS-UHFFFAOYSA-N 0 0 319.521 3.066 20 10 DGCDRN C[C@@H](NC(=O)NCC(C)(C)CC(F)F)c1ccccc1O ZINC000883817274 626750507 /nfs/dbraw/zinc/75/05/07/626750507.db2.gz OIVAHQCMOJKEQP-SNVBAGLBSA-N 0 0 300.349 3.434 20 10 DGCDRN C[C@]12CCN(C(=O)C3=CC(=O)CS3)C[C@H]1C2(Cl)Cl ZINC000807524412 626759514 /nfs/dbraw/zinc/75/95/14/626759514.db2.gz TWJSBOUYGUHCHF-KOLCDFICSA-N 0 0 306.214 3.110 20 10 DGCDRN O=C1CCc2nc(NCCCSc3nccs3)ccc21 ZINC000807974129 626781536 /nfs/dbraw/zinc/78/15/36/626781536.db2.gz UKDXDKXBTLSIIN-UHFFFAOYSA-N 0 0 305.428 3.261 20 10 DGCDRN CC(=O)C(=O)CSc1nccn1-c1cccc(Cl)c1C ZINC000808016228 626787704 /nfs/dbraw/zinc/78/77/04/626787704.db2.gz HWGCYIBZFLERIE-UHFFFAOYSA-N 0 0 308.790 3.084 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccnc(C(F)(F)F)c2)cc1 ZINC000808027006 626788116 /nfs/dbraw/zinc/78/81/16/626788116.db2.gz CFBILTOSXWYIPO-UHFFFAOYSA-N 0 0 323.318 3.096 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1ccccc1CC ZINC000808095268 626792553 /nfs/dbraw/zinc/79/25/53/626792553.db2.gz XAOJWSARQAHHNT-UHFFFAOYSA-N 0 0 318.413 3.299 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc2ccccc2[nH]1 ZINC000808095450 626792609 /nfs/dbraw/zinc/79/26/09/626792609.db2.gz FZIFNRJXTGIBOY-UHFFFAOYSA-N 0 0 315.369 3.289 20 10 DGCDRN O=S(=O)(Nc1ccc(O)cc1F)c1ccc(C(F)F)cc1 ZINC000808105457 626793768 /nfs/dbraw/zinc/79/37/68/626793768.db2.gz GVNAALMGLWIOHL-UHFFFAOYSA-N 0 0 317.288 3.270 20 10 DGCDRN CO[C@@H](C)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000800046632 626798844 /nfs/dbraw/zinc/79/88/44/626798844.db2.gz ANCIQRNANDBKAI-OLZOCXBDSA-N 0 0 324.852 3.227 20 10 DGCDRN CC1(C)CC(=O)N(CN2CCCc3cc(OC(F)F)ccc32)C1 ZINC000808174470 626802678 /nfs/dbraw/zinc/80/26/78/626802678.db2.gz LSWZOOHUHYFPRE-UHFFFAOYSA-N 0 0 324.371 3.257 20 10 DGCDRN CN(c1ccc(CNCc2cn(C)cn2)cc1)C1CCCCC1 ZINC000808386253 626820050 /nfs/dbraw/zinc/82/00/50/626820050.db2.gz XVIARBXYJPJXDL-UHFFFAOYSA-N 0 0 312.461 3.479 20 10 DGCDRN CC(=O)C(=O)COC(=O)c1ccc(-c2ccc(C)cc2)cc1F ZINC000808516051 626834750 /nfs/dbraw/zinc/83/47/50/626834750.db2.gz XDJFUISTNOUVRC-UHFFFAOYSA-N 0 0 314.312 3.116 20 10 DGCDRN Cc1cc(Br)ccc1C(=O)NCc1ccccc1O ZINC000133752593 626836391 /nfs/dbraw/zinc/83/63/91/626836391.db2.gz GKISCXJVKRMKBR-UHFFFAOYSA-N 0 0 320.186 3.393 20 10 DGCDRN Cc1cc(Cl)cc([C@H](C)N[C@H](C)c2nnnn2C2CC2)c1O ZINC000808716439 626853391 /nfs/dbraw/zinc/85/33/91/626853391.db2.gz NOLYMJIMNILMQT-VHSXEESVSA-N 0 0 321.812 3.087 20 10 DGCDRN COc1ccc(CNC(=O)Nc2ncsc2C(C)C)c(O)c1 ZINC000808914781 626871838 /nfs/dbraw/zinc/87/18/38/626871838.db2.gz BTOZUFNBCSMJQQ-UHFFFAOYSA-N 0 0 321.402 3.302 20 10 DGCDRN COc1ccc2c(c1)CC[C@@H](C(=O)N(C)c1ccc(N)cc1)C2 ZINC000884441257 626880790 /nfs/dbraw/zinc/88/07/90/626880790.db2.gz DBNBBXROAILPRS-OAHLLOKOSA-N 0 0 310.397 3.045 20 10 DGCDRN COCC[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000134906333 626891633 /nfs/dbraw/zinc/89/16/33/626891633.db2.gz RGTPNAQZPQZVPW-SSDOTTSWSA-N 0 0 308.603 3.105 20 10 DGCDRN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000135050862 626903765 /nfs/dbraw/zinc/90/37/65/626903765.db2.gz ZWGMULXMXRFWQL-LBPRGKRZSA-N 0 0 311.809 3.368 20 10 DGCDRN C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc(Cl)cc(F)c1[O-] ZINC000809703950 626939519 /nfs/dbraw/zinc/93/95/19/626939519.db2.gz SEIPMMOIBRPFRA-BXUZGUMPSA-N 0 0 312.816 3.243 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc3c(c2)C(C)(C)CO3)cc1 ZINC000809969622 626963688 /nfs/dbraw/zinc/96/36/88/626963688.db2.gz ZBVDRGKHWGESCN-UHFFFAOYSA-N 0 0 324.424 3.353 20 10 DGCDRN C[C@H](c1ccccc1)N(C)C(=O)COc1ccc(N(C)C)cc1 ZINC000810002438 626967469 /nfs/dbraw/zinc/96/74/69/626967469.db2.gz XHFHYFSBFDVGNN-OAHLLOKOSA-N 0 0 312.413 3.351 20 10 DGCDRN CC(C)CCC[C@H](C)NC(=O)COc1ccc(N(C)C)cc1 ZINC000810001719 626967528 /nfs/dbraw/zinc/96/75/28/626967528.db2.gz KIQBIHIBAOCQAH-HNNXBMFYSA-N 0 0 306.450 3.462 20 10 DGCDRN CN(C)c1ccc(OCc2noc(-c3cccs3)n2)cc1 ZINC000810001370 626967639 /nfs/dbraw/zinc/96/76/39/626967639.db2.gz DDDQOWNFWVFJGC-UHFFFAOYSA-N 0 0 301.371 3.443 20 10 DGCDRN COc1ccccc1CN(Cc1ccc(N(C)C)cc1)OC ZINC000810107900 626976817 /nfs/dbraw/zinc/97/68/17/626976817.db2.gz AGIXVNRWQIKRKQ-UHFFFAOYSA-N 0 0 300.402 3.325 20 10 DGCDRN CC[C@@H](NCC(F)(F)CO)c1ccc(C(F)(F)F)cc1O ZINC000810237794 626991478 /nfs/dbraw/zinc/99/14/78/626991478.db2.gz WGSXFZFHQGEQJN-SNVBAGLBSA-N 0 0 313.266 3.079 20 10 DGCDRN CC[C@H](NCC(F)(F)CO)c1ccc(C(F)(F)F)cc1O ZINC000810237793 626991535 /nfs/dbraw/zinc/99/15/35/626991535.db2.gz WGSXFZFHQGEQJN-JTQLQIEISA-N 0 0 313.266 3.079 20 10 DGCDRN COCC[C@@H](COC)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000810256876 626993774 /nfs/dbraw/zinc/99/37/74/626993774.db2.gz IDXONKDRVZBQQP-UWVGGRQHSA-N 0 0 322.232 3.401 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cc(O)ccc1Cl ZINC000810411481 627004938 /nfs/dbraw/zinc/00/49/38/627004938.db2.gz OFBZOCMTDJKOTN-UHFFFAOYSA-N 0 0 318.804 3.350 20 10 DGCDRN Cc1cc(NS(=O)(=O)c2ccc(F)cc2Cl)ccc1O ZINC000136487190 627092296 /nfs/dbraw/zinc/09/22/96/627092296.db2.gz JJADSXBPGQTMCO-UHFFFAOYSA-N 0 0 315.753 3.294 20 10 DGCDRN Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2C)ccc1O ZINC000136493167 627092650 /nfs/dbraw/zinc/09/26/50/627092650.db2.gz DFLKFNGFZGFMDP-UHFFFAOYSA-N 0 0 311.790 3.463 20 10 DGCDRN Cc1noc(-c2ccccc2C(=O)N(C)Cc2ccccc2O)n1 ZINC000136948718 627104532 /nfs/dbraw/zinc/10/45/32/627104532.db2.gz PGODHRDHVRRMDW-UHFFFAOYSA-N 0 0 323.352 3.023 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H]2CCCc3sccc32)c(O)c1O ZINC000137412568 627123381 /nfs/dbraw/zinc/12/33/81/627123381.db2.gz UNNBDEPVYKEXLV-GFCCVEGCSA-N 0 0 303.383 3.275 20 10 DGCDRN CCOc1ccc(O)c(CNc2cccc(OC)c2OC)c1 ZINC000886275474 627129337 /nfs/dbraw/zinc/12/93/37/627129337.db2.gz ADELXXDJTGNXBO-UHFFFAOYSA-N 0 0 303.358 3.420 20 10 DGCDRN C[C@@]1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCOC2(CCC2)C1 ZINC000886344608 627141041 /nfs/dbraw/zinc/14/10/41/627141041.db2.gz IEERWAUTMJOKOM-MRXNPFEDSA-N 0 0 320.389 3.129 20 10 DGCDRN C[C@@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)c1c([O-])cccc1F ZINC000886504118 627154228 /nfs/dbraw/zinc/15/42/28/627154228.db2.gz SBYWEMFMQQRSND-GFCCVEGCSA-N 0 0 322.424 3.219 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1c([O-])cccc1F ZINC000886511155 627155223 /nfs/dbraw/zinc/15/52/23/627155223.db2.gz KMVXUTSMDLXVRP-TZMCWYRMSA-N 0 0 321.367 3.172 20 10 DGCDRN C[C@H](NCc1nccn1CC(F)(F)F)c1c(O)cccc1F ZINC000886522244 627155990 /nfs/dbraw/zinc/15/59/90/627155990.db2.gz FSRQCSJVPMHBDN-VIFPVBQESA-N 0 0 317.286 3.141 20 10 DGCDRN C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1c([O-])cccc1F ZINC000886520717 627156342 /nfs/dbraw/zinc/15/63/42/627156342.db2.gz LABAPVGJZYFMQJ-SNVBAGLBSA-N 0 0 320.330 3.209 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccc(F)cc1)c1c([O-])cccc1F ZINC000886527920 627157388 /nfs/dbraw/zinc/15/73/88/627157388.db2.gz CKVZNDYHOKNKRC-PSVSLLHZSA-N 0 0 307.340 3.443 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1c([O-])cccc1F ZINC000886548184 627160727 /nfs/dbraw/zinc/16/07/27/627160727.db2.gz YMKGHYKICXWYNQ-SJCJKPOMSA-N 0 0 301.361 3.496 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)c1c([O-])cccc1F ZINC000886553438 627161841 /nfs/dbraw/zinc/16/18/41/627161841.db2.gz NFSUDLPDIWEGCV-GDZNZVCISA-N 0 0 303.377 3.174 20 10 DGCDRN CC(C)[C@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)c1ccnn1C ZINC000886599316 627170299 /nfs/dbraw/zinc/17/02/99/627170299.db2.gz WDUVWGNIUVACRC-STQMWFEESA-N 0 0 305.397 3.355 20 10 DGCDRN Cc1ccccc1C[C@@H](CO)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886597193 627170539 /nfs/dbraw/zinc/17/05/39/627170539.db2.gz YSLBJUXLKUNKGM-ZFWWWQNUSA-N 0 0 303.377 3.094 20 10 DGCDRN C[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1c([O-])cccc1F ZINC000886601173 627171346 /nfs/dbraw/zinc/17/13/46/627171346.db2.gz LQYCBMATDYOJPJ-QMMMGPOBSA-N 0 0 313.266 3.099 20 10 DGCDRN C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1)c1c([O-])cccc1F ZINC000886612493 627173440 /nfs/dbraw/zinc/17/34/40/627173440.db2.gz MKSYYHNFDWHMHM-ZUEVXXBESA-N 0 0 315.388 3.348 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1)c1c([O-])cccc1F ZINC000886620213 627174812 /nfs/dbraw/zinc/17/48/12/627174812.db2.gz FCRIZDOHRQUSTQ-DXCKQFNASA-N 0 0 316.376 3.497 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1c([O-])cccc1F ZINC000886626489 627176129 /nfs/dbraw/zinc/17/61/29/627176129.db2.gz CXFKMKUVARQCMG-AAEUAGOBSA-N 0 0 307.340 3.097 20 10 DGCDRN COC(=O)c1cnc([C@@H](C)N[C@H](C)c2c(O)cccc2F)s1 ZINC000886629540 627176770 /nfs/dbraw/zinc/17/67/70/627176770.db2.gz HRWDXTVXBZMKQD-RKDXNWHRSA-N 0 0 324.377 3.186 20 10 DGCDRN CC(=O)NCc1ccc(C[NH2+][C@H](C)c2c([O-])cccc2F)cc1 ZINC000886634528 627177113 /nfs/dbraw/zinc/17/71/13/627177113.db2.gz GPJVTGSWHGCBTN-GFCCVEGCSA-N 0 0 316.376 3.018 20 10 DGCDRN C[C@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1c([O-])cccc1F ZINC000886639733 627178442 /nfs/dbraw/zinc/17/84/42/627178442.db2.gz KPFYQPPHAHASAK-JTQLQIEISA-N 0 0 303.324 3.122 20 10 DGCDRN CC[C@H]([NH2+][C@@H](COC)[C@H]1CCCOC1)c1ccc(F)cc1[O-] ZINC000886789248 627204629 /nfs/dbraw/zinc/20/46/29/627204629.db2.gz QUKONBFQMWHEES-RCBQFDQVSA-N 0 0 311.397 3.014 20 10 DGCDRN CC[C@H]([NH2+][C@@H](COC)[C@@H]1CCCOC1)c1ccc(F)cc1[O-] ZINC000886789247 627204662 /nfs/dbraw/zinc/20/46/62/627204662.db2.gz QUKONBFQMWHEES-KCXAZCMYSA-N 0 0 311.397 3.014 20 10 DGCDRN CC[C@H](N[C@H](CCO)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000886799030 627205688 /nfs/dbraw/zinc/20/56/88/627205688.db2.gz LPANPTQWMGCNQD-UONOGXRCSA-N 0 0 304.356 3.107 20 10 DGCDRN C[C@@H](N[C@H](CCO)C(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000886801623 627205911 /nfs/dbraw/zinc/20/59/11/627205911.db2.gz PXAIGEHCZBYTBS-MEBBXXQBSA-N 0 0 317.351 3.235 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(Cl)cn1 ZINC000887276876 627239952 /nfs/dbraw/zinc/23/99/52/627239952.db2.gz BOUHIGUOYKNMOI-WQLSENKSSA-N 0 0 307.806 3.191 20 10 DGCDRN CC(C)(C)c1ccc([C@@H](O)c2cn(-c3ccc(N)cc3)nn2)cc1 ZINC000887407952 627256497 /nfs/dbraw/zinc/25/64/97/627256497.db2.gz YTEAHJYYFBCTMD-GOSISDBHSA-N 0 0 322.412 3.229 20 10 DGCDRN Oc1cccc(Cl)c1CN1CC(O)(c2ccc(Cl)cc2)C1 ZINC000811509018 627284500 /nfs/dbraw/zinc/28/45/00/627284500.db2.gz IYZPKQBZYOKDCE-UHFFFAOYSA-N 0 0 324.207 3.402 20 10 DGCDRN CC(C)(CO)[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000811519121 627287152 /nfs/dbraw/zinc/28/71/52/627287152.db2.gz UFSQQQHBSJKRDA-CQSZACIVSA-N 0 0 301.789 3.071 20 10 DGCDRN COc1ccc(O)c(CNc2ccc(Br)cn2)c1 ZINC000811806448 627323108 /nfs/dbraw/zinc/32/31/08/627323108.db2.gz XDTIVMFKODPKNF-UHFFFAOYSA-N 0 0 309.163 3.170 20 10 DGCDRN CCN(C(=O)NCc1ccc(N(C)C)cc1)C1CC(C)(C)C1 ZINC000840243268 627340934 /nfs/dbraw/zinc/34/09/34/627340934.db2.gz APUKDUCVMQEGRU-UHFFFAOYSA-N 0 0 303.450 3.473 20 10 DGCDRN CCn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccccc1O ZINC000812022506 627348089 /nfs/dbraw/zinc/34/80/89/627348089.db2.gz LKFFLOFPPRHESV-UHFFFAOYSA-N 0 0 312.373 3.208 20 10 DGCDRN CC[C@@H](CNC(=O)c1ccc(-n2c(C)ccc2C)cc1)OC ZINC000812368607 627376194 /nfs/dbraw/zinc/37/61/94/627376194.db2.gz XRQQHXYODKGTSU-KRWDZBQOSA-N 0 0 300.402 3.249 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)Nc2ccns2)C2CC2)cc1 ZINC000889127316 627383689 /nfs/dbraw/zinc/38/36/89/627383689.db2.gz ZTJJRGIPZQRKKM-UHFFFAOYSA-N 0 0 316.430 3.406 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)[C@@H](C)COC ZINC000812455041 627388407 /nfs/dbraw/zinc/38/84/07/627388407.db2.gz VPQPZMLSKQRALA-GJZGRUSLSA-N 0 0 306.450 3.020 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OC[C@@H]1C[C@H]1c1ccccc1 ZINC000812590066 627400689 /nfs/dbraw/zinc/40/06/89/627400689.db2.gz STRHPDQXNNIMHU-GFXFGIRVSA-N 0 0 310.349 3.458 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1Cc2cccc(Cl)c2C1 ZINC000813656041 627506062 /nfs/dbraw/zinc/50/60/62/627506062.db2.gz RMFJCDZAVHAXQO-ALCCZGGFSA-N 0 0 315.756 3.307 20 10 DGCDRN COc1cc(Cl)c(NC(=O)c2cccc(O)c2O)cc1C ZINC000813874733 627517795 /nfs/dbraw/zinc/51/77/95/627517795.db2.gz IYDFHHJIPYHVTP-UHFFFAOYSA-N 0 0 307.733 3.321 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCCC[C@H]1F ZINC000840302333 627517809 /nfs/dbraw/zinc/51/78/09/627517809.db2.gz PKTRMROHYWPBKI-HZPDHXFCSA-N 0 0 307.413 3.141 20 10 DGCDRN c1ccc(CN2CCc3cc(CN4CCO[C@@H]5C[C@@H]54)ccc32)cc1 ZINC000814172208 627546743 /nfs/dbraw/zinc/54/67/43/627546743.db2.gz CQDPRYGLZZTRJE-LEWJYISDSA-N 0 0 320.436 3.222 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=S)NC2CCC2)cc1 ZINC000814190631 627548952 /nfs/dbraw/zinc/54/89/52/627548952.db2.gz BKMARWUWFAMDHL-UHFFFAOYSA-N 0 0 305.491 3.392 20 10 DGCDRN CCN(Cc1ccccc1)c1ccc(CNc2ncn(C)n2)cc1 ZINC000814255380 627554433 /nfs/dbraw/zinc/55/44/33/627554433.db2.gz LLAKLURSRIHKEH-UHFFFAOYSA-N 0 0 321.428 3.454 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cc(F)ccc2Cl)cc1 ZINC000814254686 627554603 /nfs/dbraw/zinc/55/46/03/627554603.db2.gz CTHFXLPBJPCEAD-UHFFFAOYSA-N 0 0 306.768 3.475 20 10 DGCDRN CN(C)c1ccc(/C=C2/SC(=S)N(C3CC3)C2=O)cc1 ZINC000814284441 627556836 /nfs/dbraw/zinc/55/68/36/627556836.db2.gz HFCUXLTWZKXRNA-UKTHLTGXSA-N 0 0 304.440 3.116 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCC[C@H](OC)C2)cc1 ZINC000814405890 627563046 /nfs/dbraw/zinc/56/30/46/627563046.db2.gz HSUIVWZDYXIISU-WMZOPIPTSA-N 0 0 318.461 3.354 20 10 DGCDRN C[C@H](NC(=O)CCc1cncs1)c1ccc(N(C)C)cc1 ZINC000814415577 627563895 /nfs/dbraw/zinc/56/38/95/627563895.db2.gz WGDBDHSVIQIVGW-LBPRGKRZSA-N 0 0 303.431 3.019 20 10 DGCDRN O=C(COC(=O)/C(F)=C/C1CCCCC1)c1ccc(O)c(O)c1 ZINC000814540581 627575427 /nfs/dbraw/zinc/57/54/27/627575427.db2.gz ZBJGKLABUMWRPM-JYRVWZFOSA-N 0 0 322.332 3.257 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCC[C@H]2OC)cc1 ZINC000815052406 627619753 /nfs/dbraw/zinc/61/97/53/627619753.db2.gz NMHYTOPSASRJFT-QZTJIDSGSA-N 0 0 318.461 3.354 20 10 DGCDRN CSC1CCC(CNC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000924299792 627623312 /nfs/dbraw/zinc/62/33/12/627623312.db2.gz YENUURJWHYAYRX-UHFFFAOYSA-N 0 0 320.458 3.339 20 10 DGCDRN CCN(C)c1ccc(CN2C[C@H](C(F)(F)F)OC[C@H]2C)cc1 ZINC000815116186 627629359 /nfs/dbraw/zinc/62/93/59/627629359.db2.gz DDQWDQBAIANEMN-IUODEOHRSA-N 0 0 316.367 3.294 20 10 DGCDRN CCN(C)c1ccc(CN[C@](C)(c2noc(C)n2)C2CC2)cc1 ZINC000815123892 627631672 /nfs/dbraw/zinc/63/16/72/627631672.db2.gz JUFUDIADXVFOIW-SFHVURJKSA-N 0 0 314.433 3.249 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCC[C@@H]1OC ZINC000815131829 627633851 /nfs/dbraw/zinc/63/38/51/627633851.db2.gz NJLRHVVXPJPGON-MSOLQXFVSA-N 0 0 318.461 3.306 20 10 DGCDRN CN(C)c1ccc(CN2Cc3cnn(-c4ccccc4)c3C2)cc1 ZINC000815307887 627655216 /nfs/dbraw/zinc/65/52/16/627655216.db2.gz BXIHDBCTSIDWIG-UHFFFAOYSA-N 0 0 318.424 3.454 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CCCN(C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815563996 627685499 /nfs/dbraw/zinc/68/54/99/627685499.db2.gz UPOZNXXKNZXANP-MNOVXSKESA-N 0 0 302.340 3.156 20 10 DGCDRN C[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815577974 627686048 /nfs/dbraw/zinc/68/60/48/627686048.db2.gz DYSJEFQHBDEJPU-LKFCYVNXSA-N 0 0 303.324 3.223 20 10 DGCDRN CC(C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815572257 627686294 /nfs/dbraw/zinc/68/62/94/627686294.db2.gz YLFYJAMSPZONJC-QWRGUYRKSA-N 0 0 305.340 3.469 20 10 DGCDRN C[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815577975 627686342 /nfs/dbraw/zinc/68/63/42/627686342.db2.gz DYSJEFQHBDEJPU-OTYXRUKQSA-N 0 0 303.324 3.223 20 10 DGCDRN CSC[C@@H](CCO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815582814 627687915 /nfs/dbraw/zinc/68/79/15/627687915.db2.gz PRTPLFXOPVXKEZ-NXEZZACHSA-N 0 0 323.380 3.176 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cccc(C(F)(F)F)c1[O-] ZINC000815617373 627690823 /nfs/dbraw/zinc/69/08/23/627690823.db2.gz LYFYOKCYXBNCON-OASPWFOLSA-N 0 0 303.324 3.365 20 10 DGCDRN C[C@H]([NH2+]CC[C@@H]1CCOC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815615704 627691254 /nfs/dbraw/zinc/69/12/54/627691254.db2.gz VLLAQYQHTGLUNV-WDEREUQCSA-N 0 0 303.324 3.488 20 10 DGCDRN CC(C)[C@@H](CO)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815626250 627692277 /nfs/dbraw/zinc/69/22/77/627692277.db2.gz ZHYBNXQFEMRASP-WDEREUQCSA-N 0 0 305.340 3.326 20 10 DGCDRN COc1ccc(O)c([C@@H](C)Nc2ccc(F)c(NC(N)=O)c2)c1 ZINC000815632157 627692891 /nfs/dbraw/zinc/69/28/91/627692891.db2.gz FABOTYDNVQBVKV-SECBINFHSA-N 0 0 319.336 3.204 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCc2cccc(O)c21 ZINC000815629941 627693070 /nfs/dbraw/zinc/69/30/70/627693070.db2.gz SDNLAQFQWYHDFQ-QGZVFWFLSA-N 0 0 324.424 3.113 20 10 DGCDRN COc1cc(Cl)cc(C(=O)N(C)Cc2ccccc2O)c1 ZINC000815797043 627704492 /nfs/dbraw/zinc/70/44/92/627704492.db2.gz YWGDJDVMBXRZBK-UHFFFAOYSA-N 0 0 305.761 3.326 20 10 DGCDRN COc1cccc(CNC(=O)c2ccn(C(C)C)c2C)c1O ZINC000815834318 627706777 /nfs/dbraw/zinc/70/67/77/627706777.db2.gz DRMACNWZJUARTG-UHFFFAOYSA-N 0 0 302.374 3.022 20 10 DGCDRN O=C(NCc1ccccc1O)c1cnc2c(F)ccc(F)c2c1 ZINC000815833744 627706811 /nfs/dbraw/zinc/70/68/11/627706811.db2.gz BPCKWUNNEPAQHR-UHFFFAOYSA-N 0 0 314.291 3.149 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C(C)(C)OC ZINC000925497945 627742513 /nfs/dbraw/zinc/74/25/13/627742513.db2.gz AOHNAEVHBGPOLG-ZDUSSCGKSA-N 0 0 308.422 3.127 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N(C)CCCF ZINC000925560006 627754910 /nfs/dbraw/zinc/75/49/10/627754910.db2.gz WDVCABNJRWSYHL-UHFFFAOYSA-N 0 0 316.376 3.338 20 10 DGCDRN CN(C)C(=O)c1cccc(NCc2cc(Cl)c(F)cc2O)c1 ZINC000816525109 627802537 /nfs/dbraw/zinc/80/25/37/627802537.db2.gz FFLRXURHCNUOEF-UHFFFAOYSA-N 0 0 322.767 3.499 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1nnc2ccccn21 ZINC000816530434 627803585 /nfs/dbraw/zinc/80/35/85/627803585.db2.gz ICZSIVOLGZVDSQ-VIFPVBQESA-N 0 0 320.755 3.078 20 10 DGCDRN CC(C)[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])N1CCCC1 ZINC000816534266 627803606 /nfs/dbraw/zinc/80/36/06/627803606.db2.gz CPNCOPDBCJUQLG-OAHLLOKOSA-N 0 0 314.832 3.395 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1COc2ccccc2C1 ZINC000816541833 627804532 /nfs/dbraw/zinc/80/45/32/627804532.db2.gz VWXDNMFUVCYWCY-GFCCVEGCSA-N 0 0 307.752 3.278 20 10 DGCDRN Cc1ccn2cc(C[NH2+]Cc3cc(Cl)c(F)cc3[O-])nc2c1 ZINC000816548685 627805881 /nfs/dbraw/zinc/80/58/81/627805881.db2.gz PGHQKMQWQLAFKA-UHFFFAOYSA-N 0 0 319.767 3.431 20 10 DGCDRN C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816550442 627806021 /nfs/dbraw/zinc/80/60/21/627806021.db2.gz RCUXXEIFFLTUPY-MEDUHNTESA-N 0 0 323.795 3.439 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H](CO)c1ccccc1 ZINC000816555157 627806651 /nfs/dbraw/zinc/80/66/51/627806651.db2.gz VWYNCYSXDOUKJN-CYBMUJFWSA-N 0 0 309.768 3.050 20 10 DGCDRN CC1(C)[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])[C@H]2CCCO[C@@H]21 ZINC000816555144 627806891 /nfs/dbraw/zinc/80/68/91/627806891.db2.gz VJZZNZPZNUWYFT-KMUNFCNLSA-N 0 0 313.800 3.478 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CC(C)(C)[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000816624849 627816630 /nfs/dbraw/zinc/81/66/30/627816630.db2.gz JMHQAFLPIJJEBH-OAHLLOKOSA-N 0 0 308.378 3.175 20 10 DGCDRN CN(C)c1ccc(CN2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc1F ZINC000816665981 627822298 /nfs/dbraw/zinc/82/22/98/627822298.db2.gz BHWGZONPNIWUKC-ROUUACIJSA-N 0 0 304.409 3.035 20 10 DGCDRN Cc1cccc(CN(C)C(=O)/C=C\c2ccc(O)c(O)c2)c1C ZINC000816788739 627830306 /nfs/dbraw/zinc/83/03/06/627830306.db2.gz TWBAFHZHTJPIMX-NTMALXAHSA-N 0 0 311.381 3.386 20 10 DGCDRN Cc1ccc(O)cc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000816939166 627840899 /nfs/dbraw/zinc/84/08/99/627840899.db2.gz VOSUUIGUYXUDRN-UHFFFAOYSA-N 0 0 311.381 3.215 20 10 DGCDRN CCSc1cccc(CNC(=O)c2cccc(O)c2O)c1 ZINC000816983480 627845742 /nfs/dbraw/zinc/84/57/42/627845742.db2.gz ZSPWGRUBDJUHKL-UHFFFAOYSA-N 0 0 303.383 3.140 20 10 DGCDRN Cc1ccc(C(=O)NC[C@H](c2ccccc2)C2CC2)c(O)c1O ZINC000817090116 627852936 /nfs/dbraw/zinc/85/29/36/627852936.db2.gz ZYMXQANTCCIZLM-MRXNPFEDSA-N 0 0 311.381 3.330 20 10 DGCDRN Cc1cc(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc(C)n1 ZINC000817411508 627895570 /nfs/dbraw/zinc/89/55/70/627895570.db2.gz RSXZRKIGJBODPN-UHFFFAOYSA-N 0 0 321.764 3.255 20 10 DGCDRN Cc1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc(C)n1 ZINC000817590420 627927501 /nfs/dbraw/zinc/92/75/01/627927501.db2.gz WTEJJPRKJJIYKA-GFCCVEGCSA-N 0 0 301.346 3.163 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1CC12CCSCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817589219 627927688 /nfs/dbraw/zinc/92/76/88/627927688.db2.gz MGWIFUDGPBCRGK-VXGBXAGGSA-N 0 0 322.430 3.484 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@@H](C)c3cncnc3)cc12 ZINC000817760958 627946956 /nfs/dbraw/zinc/94/69/56/627946956.db2.gz GFRXPBBAATZCQC-LBPRGKRZSA-N 0 0 309.369 3.294 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@H]3CCOC[C@@H]3C)cc12 ZINC000817760478 627947006 /nfs/dbraw/zinc/94/70/06/627947006.db2.gz CEUDKUSVTQSADM-NHYWBVRUSA-N 0 0 301.386 3.373 20 10 DGCDRN COCc1nc(C(=O)Oc2ccc3c(c2)c(C)c(C)n3C)co1 ZINC000817762874 627947580 /nfs/dbraw/zinc/94/75/80/627947580.db2.gz YWBORHRKFJPQMP-UHFFFAOYSA-N 0 0 314.341 3.149 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)cc1 ZINC000817881154 627952642 /nfs/dbraw/zinc/95/26/42/627952642.db2.gz PEYMUBSSQYOOBA-GDBMZVCRSA-N 0 0 304.434 3.218 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1 ZINC000817881739 627952947 /nfs/dbraw/zinc/95/29/47/627952947.db2.gz NWQJVHQESOYSDF-HOCLYGCPSA-N 0 0 304.434 3.075 20 10 DGCDRN CC(C)(C)CCNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817911845 627959508 /nfs/dbraw/zinc/95/95/08/627959508.db2.gz LJCPITWGHIDPSE-UHFFFAOYSA-N 0 0 317.458 3.482 20 10 DGCDRN C[C@H]1CN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C[C@H]1C ZINC000817944433 627970117 /nfs/dbraw/zinc/97/01/17/627970117.db2.gz BWGQGGMSHLCXJE-TXEJJXNPSA-N 0 0 315.442 3.044 20 10 DGCDRN C[C@H](NCC[NH2+]C1CCCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817960274 627975732 /nfs/dbraw/zinc/97/57/32/627975732.db2.gz LKSYOFCUVNGVBQ-ZDUSSCGKSA-N 0 0 321.421 3.263 20 10 DGCDRN C[C@@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000926966476 627990779 /nfs/dbraw/zinc/99/07/79/627990779.db2.gz ZXYQHCJTUFVALL-NOZJJQNGSA-N 0 0 308.319 3.065 20 10 DGCDRN COC1([C@H](C)NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC000840355158 628007685 /nfs/dbraw/zinc/00/76/85/628007685.db2.gz XZJXRPMCHAAFQC-KBPBESRZSA-N 0 0 319.449 3.070 20 10 DGCDRN CCOCCOCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000927087331 628011015 /nfs/dbraw/zinc/01/10/15/628011015.db2.gz MOEYAPWUUIULMU-JTQLQIEISA-N 0 0 322.232 3.403 20 10 DGCDRN C[C@H]([NH2+]Cc1cccc2c1OCC2)c1cc(F)cc(F)c1[O-] ZINC000927089523 628012012 /nfs/dbraw/zinc/01/20/12/628012012.db2.gz CMWOXBHJVGRYHP-JTQLQIEISA-N 0 0 305.324 3.456 20 10 DGCDRN C[C@H](Nc1ccc(COCCO)cc1)c1cc(F)cc(F)c1O ZINC000818362055 628018813 /nfs/dbraw/zinc/01/88/13/628018813.db2.gz OWCZWDNQFMGGDH-NSHDSACASA-N 0 0 323.339 3.352 20 10 DGCDRN C[C@H](Nc1ccc(COCCO)cc1)c1cc(F)ccc1O ZINC000818362149 628019413 /nfs/dbraw/zinc/01/94/13/628019413.db2.gz QCVJBSGPSIKEBO-LBPRGKRZSA-N 0 0 305.349 3.213 20 10 DGCDRN C[C@@H]([NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1)c1c([O-])cccc1F ZINC000927155881 628028062 /nfs/dbraw/zinc/02/80/62/628028062.db2.gz LYIHXCICMMVEMW-MUKKUYKPSA-N 0 0 315.388 3.275 20 10 DGCDRN Nc1ccc(NC(=O)c2sc(N3CCCC3)nc2Cl)cc1 ZINC000818556508 628035583 /nfs/dbraw/zinc/03/55/83/628035583.db2.gz XOSDXZUHDJDXQA-UHFFFAOYSA-N 0 0 322.821 3.231 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCS[C@H](C)C2)c1 ZINC000927249158 628038425 /nfs/dbraw/zinc/03/84/25/628038425.db2.gz WRGILKKVGOBLGU-GRYCIOLGSA-N 0 0 324.446 3.045 20 10 DGCDRN CC(C)C[C@@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000818629941 628045538 /nfs/dbraw/zinc/04/55/38/628045538.db2.gz DWVAKRXSUBFBFX-JFDDCEBESA-N 0 0 304.434 3.102 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(C2CCC2)cn1 ZINC000819036556 628081556 /nfs/dbraw/zinc/08/15/56/628081556.db2.gz IJFLFQBLEOMBBQ-UITAMQMPSA-N 0 0 310.353 3.412 20 10 DGCDRN C[C@H](NC(=O)NCC[C@H]1CCC2(CCC2)O1)c1ccccc1O ZINC000927748678 628097809 /nfs/dbraw/zinc/09/78/09/628097809.db2.gz XOJPLQOLIDFEPH-UONOGXRCSA-N 0 0 318.417 3.244 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)/C=C\[C@H]1CCCO1 ZINC000819137677 628098341 /nfs/dbraw/zinc/09/83/41/628098341.db2.gz HBLCKNUEXMBJQQ-YUIUBULTSA-N 0 0 316.445 3.225 20 10 DGCDRN C[C@@H](C1CCCCC1)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819166621 628104442 /nfs/dbraw/zinc/10/44/42/628104442.db2.gz ZFBCTNMZVHKRIQ-ZDUSSCGKSA-N 0 0 316.401 3.125 20 10 DGCDRN Cc1ccc(C2CC2)c(C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000819399041 628148074 /nfs/dbraw/zinc/14/80/74/628148074.db2.gz ZJPJDBQBOHFAPJ-UHFFFAOYSA-N 0 0 311.381 3.256 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1cn[nH]c(=O)c1Cl ZINC000840385540 628159547 /nfs/dbraw/zinc/15/95/47/628159547.db2.gz ZUSUAZQBBYSQLD-LLVKDONJSA-N 0 0 320.824 3.253 20 10 DGCDRN CC[C@H](C)[C@H](C)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819586331 628171304 /nfs/dbraw/zinc/17/13/04/628171304.db2.gz NNUNKWPLLSIKLY-HRCADAONSA-N 0 0 318.461 3.320 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNC(=O)[C@H](C)C(C)(C)C)C2)cc1 ZINC000819584474 628171324 /nfs/dbraw/zinc/17/13/24/628171324.db2.gz KDSCSDVXAHDGFY-GJZGRUSLSA-N 0 0 318.461 3.320 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)C[C@@H](C)C3CC3)C2)cc1 ZINC000819582098 628171417 /nfs/dbraw/zinc/17/14/17/628171417.db2.gz HQLDJOURHGBCPZ-HUUCEWRRSA-N 0 0 316.445 3.074 20 10 DGCDRN CCC1(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)CCC1 ZINC000819584727 628171432 /nfs/dbraw/zinc/17/14/32/628171432.db2.gz PPDRFMMMBIPGGD-HNNXBMFYSA-N 0 0 316.445 3.218 20 10 DGCDRN CCC(C)(CC)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819590061 628172054 /nfs/dbraw/zinc/17/20/54/628172054.db2.gz WHMFLIONSUCLLU-HNNXBMFYSA-N 0 0 318.461 3.464 20 10 DGCDRN CC(C)O[C@@H](C(=O)NCc1c(O)cccc1F)c1ccccc1 ZINC000928706606 628179476 /nfs/dbraw/zinc/17/94/76/628179476.db2.gz RNWYSLYJURLHTA-QGZVFWFLSA-N 0 0 317.360 3.314 20 10 DGCDRN CCCC[C@H](C)C(=O)N(CC(=O)OCC)Cc1ccccc1O ZINC000819699093 628180148 /nfs/dbraw/zinc/18/01/48/628180148.db2.gz XCBGZJOBUGCCRX-AWEZNQCLSA-N 0 0 321.417 3.110 20 10 DGCDRN COc1cccc(CNC(=O)NC[C@@H]2CCC[C@H]2C2CC2)c1O ZINC000840398249 628190586 /nfs/dbraw/zinc/19/05/86/628190586.db2.gz WRXHMEXIDNGIMC-ZFWWWQNUSA-N 0 0 318.417 3.026 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)CCc2ccon2)cc1 ZINC000819974128 628207316 /nfs/dbraw/zinc/20/73/16/628207316.db2.gz IJCBITFKJDZDIZ-UHFFFAOYSA-N 0 0 315.417 3.112 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000820295010 628243628 /nfs/dbraw/zinc/24/36/28/628243628.db2.gz GDARMZACFKJJOH-RISCZKNCSA-N 0 0 300.362 3.254 20 10 DGCDRN CO[C@H]1CC[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000821033046 628329045 /nfs/dbraw/zinc/32/90/45/628329045.db2.gz KAYJMVMIIFIWON-YJBOKZPZSA-N 0 0 316.445 3.059 20 10 DGCDRN COc1ccc(N(Cc2ccco2)C[C@@H]2CCC(=O)O2)cc1F ZINC000821397030 628363669 /nfs/dbraw/zinc/36/36/69/628363669.db2.gz YIVOTQIBXGELNU-AWEZNQCLSA-N 0 0 319.332 3.140 20 10 DGCDRN CC[C@@H](CSC)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000821706969 628391455 /nfs/dbraw/zinc/39/14/55/628391455.db2.gz XWPXYMJPTIDPCY-LBPRGKRZSA-N 0 0 308.407 3.063 20 10 DGCDRN CS[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(C)(C)C ZINC000821851581 628403654 /nfs/dbraw/zinc/40/36/54/628403654.db2.gz CVVSGHKRYPMVHW-GFCCVEGCSA-N 0 0 322.434 3.357 20 10 DGCDRN CN(C[C@@H]1CC=CCC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000821856861 628404463 /nfs/dbraw/zinc/40/44/63/628404463.db2.gz NZEOTNZEEPZBRF-GFCCVEGCSA-N 0 0 300.362 3.277 20 10 DGCDRN C[C@@H]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC000821911708 628409788 /nfs/dbraw/zinc/40/97/88/628409788.db2.gz BYCAJZMUMWTZFC-JTNHKYCSSA-N 0 0 302.378 3.404 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2CC23CCSCC3)cc1 ZINC000822265396 628434406 /nfs/dbraw/zinc/43/44/06/628434406.db2.gz PJQDTRZTGHEGTR-MRXNPFEDSA-N 0 0 318.486 3.244 20 10 DGCDRN C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000822357377 628444210 /nfs/dbraw/zinc/44/42/10/628444210.db2.gz BZPBQQITDPZPCE-UTUOFQBUSA-N 0 0 302.378 3.356 20 10 DGCDRN Cc1cnccc1/C=C\C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000822495369 628457722 /nfs/dbraw/zinc/45/77/22/628457722.db2.gz HAGRNEQEZWFHNQ-TWGQIWQCSA-N 0 0 321.424 3.320 20 10 DGCDRN CCOC(=O)CN(Cc1ccccc1O)Cc1ccccc1F ZINC000822511941 628459342 /nfs/dbraw/zinc/45/93/42/628459342.db2.gz PAIVLMFXFJBTBL-UHFFFAOYSA-N 0 0 317.360 3.097 20 10 DGCDRN CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CCC(C)(C)C1 ZINC000822601860 628469885 /nfs/dbraw/zinc/46/98/85/628469885.db2.gz CMXDRKCCIDAPCI-CYBMUJFWSA-N 0 0 302.378 3.500 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCC(=O)C1CC1 ZINC000822808563 628497608 /nfs/dbraw/zinc/49/76/08/628497608.db2.gz GYTHIBANPLSVMC-UHFFFAOYSA-N 0 0 316.445 3.251 20 10 DGCDRN O=C(CSC(F)F)NCc1ccc(N2CCCCC2)cc1 ZINC000822819667 628498920 /nfs/dbraw/zinc/49/89/20/628498920.db2.gz XRKDQKRSEVXXBG-UHFFFAOYSA-N 0 0 314.401 3.249 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCCCC2(F)F)cc1F ZINC000822863029 628503867 /nfs/dbraw/zinc/50/38/67/628503867.db2.gz LBTNVOHEGSTHER-GFCCVEGCSA-N 0 0 314.351 3.333 20 10 DGCDRN CCn1cnc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000822899190 628507419 /nfs/dbraw/zinc/50/74/19/628507419.db2.gz ZGPBLLCRFVAJMA-UHFFFAOYSA-N 0 0 314.433 3.020 20 10 DGCDRN CC(=O)Nc1cccc2c1CCCN2C(=O)C1=CC(=O)CS1 ZINC000822957638 628513507 /nfs/dbraw/zinc/51/35/07/628513507.db2.gz LABYDKCLZXDWDD-UHFFFAOYSA-N 0 0 316.382 3.005 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccsn2)cc1F ZINC000823213823 628537503 /nfs/dbraw/zinc/53/75/03/628537503.db2.gz RJWDGLDBRPTTLA-UHFFFAOYSA-N 0 0 307.394 3.058 20 10 DGCDRN CCn1nnc(C)c1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000823447834 628563886 /nfs/dbraw/zinc/56/38/86/628563886.db2.gz NXEUTERCUCQQND-UHFFFAOYSA-N 0 0 314.433 3.257 20 10 DGCDRN CCN(C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)C(C)C ZINC000840480579 628574973 /nfs/dbraw/zinc/57/49/73/628574973.db2.gz WZPWBVDEZAXPFU-HNNXBMFYSA-N 0 0 305.466 3.432 20 10 DGCDRN CC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CC1(C)C ZINC000823683033 628586628 /nfs/dbraw/zinc/58/66/28/628586628.db2.gz PPJNJLAPQCHKON-OLZOCXBDSA-N 0 0 302.378 3.404 20 10 DGCDRN Cc1cccc2c1O[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)C2 ZINC000823709573 628588533 /nfs/dbraw/zinc/58/85/33/628588533.db2.gz XTTMPPZRSYWMEG-GOSISDBHSA-N 0 0 324.424 3.023 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2C[C@H]2c2ccco2)cc1 ZINC000840483468 628609273 /nfs/dbraw/zinc/60/92/73/628609273.db2.gz AMRSUDLMIPDGCI-HZPDHXFCSA-N 0 0 313.401 3.043 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[C@@H]1C1CC1 ZINC000840484129 628620121 /nfs/dbraw/zinc/62/01/21/628620121.db2.gz MXZBPHIQLJGELQ-RDTXWAMCSA-N 0 0 315.461 3.186 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccnn1C(F)F ZINC000824234805 628641182 /nfs/dbraw/zinc/64/11/82/628641182.db2.gz RYTNWOGTGZDIMQ-UHFFFAOYSA-N 0 0 322.359 3.007 20 10 DGCDRN Cc1ccoc1CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000824261648 628644894 /nfs/dbraw/zinc/64/48/94/628644894.db2.gz IPAOBQZWNVPLNA-UHFFFAOYSA-N 0 0 312.413 3.437 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1nccs1 ZINC000840488790 628676626 /nfs/dbraw/zinc/67/66/26/628676626.db2.gz ORYACSSZKNHCMZ-LBPRGKRZSA-N 0 0 318.446 3.270 20 10 DGCDRN C[N@H+](Cc1c([O-])ccc(Cl)c1F)[C@H](CO)c1ccccc1 ZINC000824696393 628684920 /nfs/dbraw/zinc/68/49/20/628684920.db2.gz MHCNTZVTEBXXHB-CQSZACIVSA-N 0 0 309.768 3.350 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000824845087 628699411 /nfs/dbraw/zinc/69/94/11/628699411.db2.gz HNXBHQFEEQAMJC-BLLLJJGKSA-N 0 0 313.800 3.071 20 10 DGCDRN Cc1cc(O)c(CN2CCO[C@H](C(F)(F)F)C2)cc1Cl ZINC000824850739 628699969 /nfs/dbraw/zinc/69/99/69/628699969.db2.gz PNDQZOLQMMEDON-LBPRGKRZSA-N 0 0 309.715 3.117 20 10 DGCDRN COc1ccc2c(c1)CN(Cc1cccc(Cl)c1[O-])CCO2 ZINC000824910471 628704835 /nfs/dbraw/zinc/70/48/35/628704835.db2.gz YAJNDGLXAWFUCY-UHFFFAOYSA-N 0 0 319.788 3.449 20 10 DGCDRN Cc1ccc(F)c(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000824978705 628712753 /nfs/dbraw/zinc/71/27/53/628712753.db2.gz YUYZGKKNABMCHV-UHFFFAOYSA-N 0 0 304.321 3.080 20 10 DGCDRN CCn1ccnc1[C@H](C)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000825005945 628715339 /nfs/dbraw/zinc/71/53/39/628715339.db2.gz VQKRIGCWUIEXRJ-VIFPVBQESA-N 0 0 324.768 3.021 20 10 DGCDRN C[C@]1(CNC(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]2C[C@H]2C1 ZINC000825009292 628716039 /nfs/dbraw/zinc/71/60/39/628716039.db2.gz KSGXGJGYXNAJLW-ATCWAGBWSA-N 0 0 300.362 3.015 20 10 DGCDRN Cc1cccc(CN2CCOC[C@H]2c2ccc(F)cc2)c1O ZINC000825045689 628720734 /nfs/dbraw/zinc/72/07/34/628720734.db2.gz JKAJRYJYJBQGCN-KRWDZBQOSA-N 0 0 301.361 3.413 20 10 DGCDRN Cc1ccc(O)c(CN2CCOC[C@@H]2c2ccc(F)cc2)c1 ZINC000825046365 628720824 /nfs/dbraw/zinc/72/08/24/628720824.db2.gz SIKDOSWWZSMERF-QGZVFWFLSA-N 0 0 301.361 3.413 20 10 DGCDRN CCn1ncc(C)c1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000825155968 628733384 /nfs/dbraw/zinc/73/33/84/628733384.db2.gz MSJSGGPCUXEFCQ-ZDUSSCGKSA-N 0 0 315.421 3.160 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCC(CCF)CC2)cc1 ZINC000825225495 628739815 /nfs/dbraw/zinc/73/98/15/628739815.db2.gz FWSOZOMFVBZSLA-UHFFFAOYSA-N 0 0 306.341 3.061 20 10 DGCDRN CC[C@@H](CC(C)C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000825394010 628757300 /nfs/dbraw/zinc/75/73/00/628757300.db2.gz OHBDQEAVNXQURA-KRWDZBQOSA-N 0 0 318.461 3.212 20 10 DGCDRN COc1ccc(C)c2c1N(C(=O)/C=C(/C)c1cnccn1)CCC2 ZINC000825666289 628783045 /nfs/dbraw/zinc/78/30/45/628783045.db2.gz ZXZCCBVDDVNLJN-KAMYIIQDSA-N 0 0 323.396 3.176 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCCC2(F)F)c1 ZINC000825737327 628792864 /nfs/dbraw/zinc/79/28/64/628792864.db2.gz ZHTSZDMAJWGZSP-MFKMUULPSA-N 0 0 313.344 3.404 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCCC(=O)C(C)(C)C)c1 ZINC000825736965 628792916 /nfs/dbraw/zinc/79/29/16/628792916.db2.gz OHXVAESDELQZBT-GFCCVEGCSA-N 0 0 321.417 3.364 20 10 DGCDRN COc1ccc(O)c(CNC(=O)/C(F)=C\C2CCCCC2)c1 ZINC000825840150 628802482 /nfs/dbraw/zinc/80/24/82/628802482.db2.gz QQFGZKQQEUAKJE-OQLLNIDSSA-N 0 0 307.365 3.451 20 10 DGCDRN CCC[C@@H](OC)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000825904452 628809177 /nfs/dbraw/zinc/80/91/77/628809177.db2.gz AXNWWFGSUXYUGD-QGZVFWFLSA-N 0 0 317.385 3.329 20 10 DGCDRN CC[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2O)CCO1 ZINC000826130732 628830011 /nfs/dbraw/zinc/83/00/11/628830011.db2.gz LWQALGGVNSRJCB-STQMWFEESA-N 0 0 314.223 3.202 20 10 DGCDRN CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1cccc(Br)c1[O-] ZINC000842755368 628836040 /nfs/dbraw/zinc/83/60/40/628836040.db2.gz XYCGRGUXAPGZRF-PWSUYJOCSA-N 0 0 316.239 3.041 20 10 DGCDRN COCCCn1cc(C)c(NCc2c(O)cccc2Cl)n1 ZINC000826686072 628873149 /nfs/dbraw/zinc/87/31/49/628873149.db2.gz JLZQLKWHOSVASS-UHFFFAOYSA-N 0 0 309.797 3.199 20 10 DGCDRN CC[C@@H](COCC1CC1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000826866835 628897606 /nfs/dbraw/zinc/89/76/06/628897606.db2.gz FPFSHFJPDBAKEJ-ZDUSSCGKSA-N 0 0 301.789 3.480 20 10 DGCDRN CC(C)(C)c1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)o1 ZINC000826904939 628901950 /nfs/dbraw/zinc/90/19/50/628901950.db2.gz JMENSXBHIWQFRV-WEVVVXLNSA-N 0 0 315.369 3.318 20 10 DGCDRN Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cccc(Cl)c2[O-])cn1 ZINC000827322059 628949255 /nfs/dbraw/zinc/94/92/55/628949255.db2.gz STIHDXIJTCFBJL-XJKSGUPXSA-N 0 0 319.836 3.280 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccc(C)cn1 ZINC000827882042 628999861 /nfs/dbraw/zinc/99/98/61/628999861.db2.gz PFFCVKIUJLAJIK-UHFFFAOYSA-N 0 0 313.401 3.217 20 10 DGCDRN C[C@@H](NC(=O)Cc1csc(C2CC2)n1)c1ccccc1O ZINC000827918539 629003618 /nfs/dbraw/zinc/00/36/18/629003618.db2.gz XOLBAIHDYCVTKD-SNVBAGLBSA-N 0 0 302.399 3.146 20 10 DGCDRN CCSc1cc(C(=O)N[C@H](C)c2ccccc2O)ccn1 ZINC000827930377 629004850 /nfs/dbraw/zinc/00/48/50/629004850.db2.gz IJUAROMCVNKUNH-LLVKDONJSA-N 0 0 302.399 3.390 20 10 DGCDRN COc1cccc(OCCC(=O)N[C@H](C)c2ccccc2O)c1 ZINC000827952240 629006953 /nfs/dbraw/zinc/00/69/53/629006953.db2.gz KVUUIDPTJZRPCY-CYBMUJFWSA-N 0 0 315.369 3.047 20 10 DGCDRN C[C@@H](NC(=O)[C@H]1CCN(c2ccccc2)C1)c1ccccc1O ZINC000827952640 629007707 /nfs/dbraw/zinc/00/77/07/629007707.db2.gz ZOAUBNRYYDDIRT-CABCVRRESA-N 0 0 310.397 3.096 20 10 DGCDRN Cc1csc(CCCC(=O)N[C@@H](C)c2ccccc2O)n1 ZINC000827963853 629008773 /nfs/dbraw/zinc/00/87/73/629008773.db2.gz CMCNYQFWTDFFSR-LBPRGKRZSA-N 0 0 304.415 3.357 20 10 DGCDRN COc1cccc2c1[C@H](C(=O)N[C@@H](C)c1ccccc1O)CC2 ZINC000827964725 629009392 /nfs/dbraw/zinc/00/93/92/629009392.db2.gz SLFQZZCCWSLXKG-SWLSCSKDSA-N 0 0 311.381 3.308 20 10 DGCDRN Cc1ccc2c(c1)CC[C@@H](C(=O)N[C@@H](C)c1ccccc1O)O2 ZINC000827964826 629009408 /nfs/dbraw/zinc/00/94/08/629009408.db2.gz XCQHXTTYABDPKD-UGSOOPFHSA-N 0 0 311.381 3.272 20 10 DGCDRN CC(C)Oc1cccnc1C(=O)N[C@@H](C)c1ccccc1O ZINC000827973588 629010286 /nfs/dbraw/zinc/01/02/86/629010286.db2.gz UGEPGUNFRBARBD-LBPRGKRZSA-N 0 0 300.358 3.065 20 10 DGCDRN C[C@H](NC(=O)c1cccc([C@H]2CCOC2)c1)c1ccccc1O ZINC000827973894 629010391 /nfs/dbraw/zinc/01/03/91/629010391.db2.gz ZYDLWJFVWPDZLT-BBRMVZONSA-N 0 0 311.381 3.387 20 10 DGCDRN C[C@H](NC(=O)c1ccc2c(c1)OCCCO2)c1ccccc1O ZINC000827987201 629012077 /nfs/dbraw/zinc/01/20/77/629012077.db2.gz ZUTHCGCJTFVUAX-LBPRGKRZSA-N 0 0 313.353 3.045 20 10 DGCDRN CCOc1ccc(N(CC)Cc2cn(CC3CC3)nn2)cc1 ZINC000828194319 629031956 /nfs/dbraw/zinc/03/19/56/629031956.db2.gz JMIKUFGTPZBZGI-UHFFFAOYSA-N 0 0 300.406 3.113 20 10 DGCDRN O=C([C@@H]1C[C@H]1c1ccc(F)cc1F)N1Cc2cccc(O)c2C1 ZINC000828327630 629045167 /nfs/dbraw/zinc/04/51/67/629045167.db2.gz QYEFHFXIYIZNTG-UONOGXRCSA-N 0 0 315.319 3.316 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000828494312 629060052 /nfs/dbraw/zinc/06/00/52/629060052.db2.gz BZYAYCMXBWMRPH-YESZJQIVSA-N 0 0 315.461 3.473 20 10 DGCDRN C[C@H](NC(=O)C[C@@H]1CC[C@@H](C(F)(F)F)O1)c1ccccc1O ZINC000828539441 629064523 /nfs/dbraw/zinc/06/45/23/629064523.db2.gz OUJQBZHTPQJRBA-KWBADKCTSA-N 0 0 317.307 3.069 20 10 DGCDRN CC[C@](C)(CC(=O)[O-])[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000828664611 629080463 /nfs/dbraw/zinc/08/04/63/629080463.db2.gz CXKRBZZBNWSICC-GOSISDBHSA-N 0 0 304.434 3.410 20 10 DGCDRN CC(=O)[C@@H](OC(=O)c1cc(C)n(-c2ccccn2)c1C)C(C)C ZINC000828702463 629083685 /nfs/dbraw/zinc/08/36/85/629083685.db2.gz VRBMNTQWWHCXOF-KRWDZBQOSA-N 0 0 314.385 3.260 20 10 DGCDRN Cc1cc(CN2CCO[C@H](C(F)F)C2)ccc1N1CCCCC1 ZINC000829506379 629163894 /nfs/dbraw/zinc/16/38/94/629163894.db2.gz UHRXPQJXHRZVOB-KRWDZBQOSA-N 0 0 324.415 3.451 20 10 DGCDRN CCOc1ccc(C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c(O)c1 ZINC000830074929 629222744 /nfs/dbraw/zinc/22/27/44/629222744.db2.gz AJJJYQSEDJLFAO-KCXAZCMYSA-N 0 0 319.401 3.009 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)C[C@H](C)[C@@H]1CCCO1 ZINC000830141343 629229708 /nfs/dbraw/zinc/22/97/08/629229708.db2.gz RENAMLZQJHNNLM-YOEHRIQHSA-N 0 0 305.418 3.336 20 10 DGCDRN Cc1cncc([C@H]2CCCN2C(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000830465519 629272853 /nfs/dbraw/zinc/27/28/53/629272853.db2.gz RPIPOZJQHYDFLV-GMNBZTITSA-N 0 0 324.380 3.178 20 10 DGCDRN Cc1cncc([C@H]2CCCN2C(=O)c2ccc(C)c(O)c2O)c1 ZINC000830472832 629274172 /nfs/dbraw/zinc/27/41/72/629274172.db2.gz UEBSFOCWRSHRNU-OAHLLOKOSA-N 0 0 312.369 3.087 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)Cc2ccco2)c1 ZINC000830540693 629281854 /nfs/dbraw/zinc/28/18/54/629281854.db2.gz NGXQJFQISURXCK-RYUDHWBXSA-N 0 0 303.358 3.050 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)c2nc(C)cs2)c1 ZINC000830541216 629282331 /nfs/dbraw/zinc/28/23/31/629282331.db2.gz VFAFSUQBEZLNSD-QWRGUYRKSA-N 0 0 320.414 3.147 20 10 DGCDRN COc1ccc(O)c(CNC(=O)C2CC3(C2)CCCCC3)c1 ZINC000830543915 629282521 /nfs/dbraw/zinc/28/25/21/629282521.db2.gz IIOWDRFDAQVDMF-UHFFFAOYSA-N 0 0 303.402 3.378 20 10 DGCDRN C[C@@H](CC(=O)NCc1c(O)ccc2c1CCCC2)[C@@H]1CCCO1 ZINC000830559326 629283966 /nfs/dbraw/zinc/28/39/66/629283966.db2.gz MWMIVCLLSDTZGC-UGSOOPFHSA-N 0 0 317.429 3.092 20 10 DGCDRN C[C@@H](CC(=O)NCc1c(O)ccc2c1CCCC2)[C@H]1CCCO1 ZINC000830559325 629284037 /nfs/dbraw/zinc/28/40/37/629284037.db2.gz MWMIVCLLSDTZGC-SCLBCKFNSA-N 0 0 317.429 3.092 20 10 DGCDRN CC1(C)C[C@]1(C(=O)NCc1ccc(O)c(O)c1)c1ccccc1 ZINC000830558933 629284202 /nfs/dbraw/zinc/28/42/02/629284202.db2.gz DUUQZGYQMMEWDP-LJQANCHMSA-N 0 0 311.381 3.082 20 10 DGCDRN CC1(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)CC1 ZINC000830626942 629289238 /nfs/dbraw/zinc/28/92/38/629289238.db2.gz DTSNWDHTKQLAHA-UHFFFAOYSA-N 0 0 309.431 3.019 20 10 DGCDRN Cc1cc(CC(=O)NCCc2ccc[nH]2)c(C)n1-c1ccccc1 ZINC000831454991 629379599 /nfs/dbraw/zinc/37/95/99/629379599.db2.gz WNKCRRMPDXVYHM-UHFFFAOYSA-N 0 0 321.424 3.324 20 10 DGCDRN C[C@]1(CNC(=O)Cc2ccc(N)cc2)CCCc2ccccc21 ZINC000831509786 629383926 /nfs/dbraw/zinc/38/39/26/629383926.db2.gz HNBRXJVMMJAHOR-HXUWFJFHSA-N 0 0 308.425 3.222 20 10 DGCDRN O=C(c1c(F)ccc(O)c1O)N1CCC(CC(F)(F)F)CC1 ZINC000831543495 629389001 /nfs/dbraw/zinc/38/90/01/629389001.db2.gz IJQHQHWTNGRKSS-UHFFFAOYSA-N 0 0 321.270 3.042 20 10 DGCDRN CCCc1noc(CN(CC2CC2)c2ccc(OC)cc2)n1 ZINC000831583462 629393303 /nfs/dbraw/zinc/39/33/03/629393303.db2.gz YMZOTSPDCUUUFC-UHFFFAOYSA-N 0 0 301.390 3.447 20 10 DGCDRN CCn1nc(C)c(CN(CC2CC2)c2ccc(OC)cc2)n1 ZINC000831594558 629394809 /nfs/dbraw/zinc/39/48/09/629394809.db2.gz VVRRYRIAXCFRDW-UHFFFAOYSA-N 0 0 300.406 3.032 20 10 DGCDRN CC1=CC[C@@](C)(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CC1 ZINC000831931814 629429229 /nfs/dbraw/zinc/42/92/29/629429229.db2.gz VCNIIUYYHZNBDF-SCLBCKFNSA-N 0 0 303.402 3.282 20 10 DGCDRN Nc1ccc(CC(=O)N[C@H]2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC000832108334 629442419 /nfs/dbraw/zinc/44/24/19/629442419.db2.gz AZDJMONFNXQRMZ-HKUYNNGSSA-N 0 0 308.425 3.339 20 10 DGCDRN Cc1csc([C@H](C)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000832431896 629479700 /nfs/dbraw/zinc/47/97/00/629479700.db2.gz XTJMZQRFZHSYIR-OLZOCXBDSA-N 0 0 317.458 3.498 20 10 DGCDRN C[C@]1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCCCO1 ZINC000832449548 629482205 /nfs/dbraw/zinc/48/22/05/629482205.db2.gz AKSJFEASZPZKNL-MRXNPFEDSA-N 0 0 321.398 3.002 20 10 DGCDRN CC[C@@](C)(CNC(=O)c1cc(C)n(-c2ccccn2)c1C)OC ZINC000833798803 629651054 /nfs/dbraw/zinc/65/10/54/629651054.db2.gz FSEBMBRQOYPSKD-SFHVURJKSA-N 0 0 315.417 3.034 20 10 DGCDRN O=C1OCCN1Cc1cccc(N[C@@H]2CCc3cccc(O)c32)c1 ZINC000834709147 629762667 /nfs/dbraw/zinc/76/26/67/629762667.db2.gz CLEUGBSSBSFCQB-MRXNPFEDSA-N 0 0 324.380 3.444 20 10 DGCDRN CC(=O)N1CCc2c1cccc2N[C@@H]1CCc2cccc(O)c21 ZINC000834768699 629775912 /nfs/dbraw/zinc/77/59/12/629775912.db2.gz DPVVESPETOMGFX-MRXNPFEDSA-N 0 0 308.381 3.401 20 10 DGCDRN Cc1c(N[C@H]2CCc3cccc(O)c32)cccc1N1CCNC1=O ZINC000834787465 629780415 /nfs/dbraw/zinc/78/04/15/629780415.db2.gz MENZERCMOBZQLG-HNNXBMFYSA-N 0 0 323.396 3.330 20 10 DGCDRN COC[C@@](C)(O)CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000834843376 629789093 /nfs/dbraw/zinc/78/90/93/629789093.db2.gz IILOUFWJHGKXQX-OTYXRUKQSA-N 0 0 322.232 3.137 20 10 DGCDRN Cc1ccc(C(=O)N2CC[C@]3(CCc4ccccc43)C2)c(O)c1O ZINC000834854544 629790626 /nfs/dbraw/zinc/79/06/26/629790626.db2.gz AXIUYQNLSVOWRQ-HXUWFJFHSA-N 0 0 323.392 3.136 20 10 DGCDRN CC(C)c1nnc(CN[C@H]2C[C@H](C)c3c2c(O)ccc3F)[nH]1 ZINC000834871154 629794263 /nfs/dbraw/zinc/79/42/63/629794263.db2.gz MBBOYADVMIVEOT-ONGXEEELSA-N 0 0 304.369 3.111 20 10 DGCDRN CCn1ccnc1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000834880372 629796157 /nfs/dbraw/zinc/79/61/57/629796157.db2.gz WGNKSCSXLVYNHW-SNVBAGLBSA-N 0 0 313.323 3.478 20 10 DGCDRN CC(C)[C@H]1C[C@@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCO1 ZINC000834884771 629796835 /nfs/dbraw/zinc/79/68/35/629796835.db2.gz CTJZAVHGVWJUFT-GDZNZVCISA-N 0 0 322.405 3.402 20 10 DGCDRN CC[C@H](NCc1nn(C)cc1Cl)c1ccc(N(C)C)cc1 ZINC000834882526 629796927 /nfs/dbraw/zinc/79/69/27/629796927.db2.gz KVSKJBWKTAZMEH-HNNXBMFYSA-N 0 0 306.841 3.380 20 10 DGCDRN C[C@H]([NH2+]CC1(CF)CCOCC1)c1cc(F)cc(F)c1[O-] ZINC000834886639 629797835 /nfs/dbraw/zinc/79/78/35/629797835.db2.gz UXPBIPZXKCCLFY-JTQLQIEISA-N 0 0 303.324 3.087 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCCC2(F)F)c1 ZINC000834885415 629798015 /nfs/dbraw/zinc/79/80/15/629798015.db2.gz KNQJSNDTLOTUDY-CMPLNLGQSA-N 0 0 313.344 3.265 20 10 DGCDRN CC[C@H]([NH2+][C@H](C)c1cc(Br)c(F)cc1[O-])[C@H](C)O ZINC000834888216 629798522 /nfs/dbraw/zinc/79/85/22/629798522.db2.gz NPWQBHLFDAOASN-LWINAJNOSA-N 0 0 320.202 3.104 20 10 DGCDRN CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000834912858 629807566 /nfs/dbraw/zinc/80/75/66/629807566.db2.gz MUXKAJHDIIETRF-SRCQZFHVSA-N 0 0 321.417 3.177 20 10 DGCDRN CCOC(=O)[C@H](CC1CC1)NC/C=C/c1ccc(N(C)C)cc1 ZINC000835047358 629835696 /nfs/dbraw/zinc/83/56/96/629835696.db2.gz GNBJNMCUMINJCH-QWNKOJSDSA-N 0 0 316.445 3.087 20 10 DGCDRN CC1(C)C[C@@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC000835058710 629839418 /nfs/dbraw/zinc/83/94/18/629839418.db2.gz BNQICZFCXFXOFH-JTQLQIEISA-N 0 0 301.789 3.480 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@@H]2CC[C@@H](C)O2)c1 ZINC000835086090 629847705 /nfs/dbraw/zinc/84/77/05/629847705.db2.gz FBIKOAMCXAAVSR-PWSUYJOCSA-N 0 0 314.223 3.120 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H](C)CCC=C(C)C)c(O)c1 ZINC000836564747 630134523 /nfs/dbraw/zinc/13/45/23/630134523.db2.gz PKULWOZUIHAAEQ-ZDUSSCGKSA-N 0 0 306.406 3.335 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCCc2ccccc2CC1 ZINC000836921947 630188207 /nfs/dbraw/zinc/18/82/07/630188207.db2.gz JUOXYFNYVXCGRJ-NTMALXAHSA-N 0 0 323.392 3.129 20 10 DGCDRN C[C@H]1CCc2c(C(=O)NCc3ccc(N)cc3)csc2C1 ZINC000837303480 630237462 /nfs/dbraw/zinc/23/74/62/630237462.db2.gz RRPCANVLWVPJMS-NSHDSACASA-N 0 0 300.427 3.385 20 10 DGCDRN CN1C(=O)/C(=C/c2cccc(OC(F)(F)F)c2)SC1=S ZINC000102792101 630241192 /nfs/dbraw/zinc/24/11/92/630241192.db2.gz LVFSWWNIBPCNOM-TWGQIWQCSA-N 0 0 319.329 3.416 20 10 DGCDRN CCc1[nH]ccc1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840554368 630337180 /nfs/dbraw/zinc/33/71/80/630337180.db2.gz HACMXLISHMEQSU-AWEZNQCLSA-N 0 0 313.445 3.313 20 10 DGCDRN COC(=O)c1cnc([C@@H](C)NCc2ccc(OC)c(C)c2)s1 ZINC000840721736 630352292 /nfs/dbraw/zinc/35/22/92/630352292.db2.gz WJXPCSQDIYGIOJ-LLVKDONJSA-N 0 0 320.414 3.098 20 10 DGCDRN CC[C@@H]([NH2+][C@@H]1COC[C@@H]1OC)c1ccc(Cl)c(Cl)c1[O-] ZINC000840826788 630363413 /nfs/dbraw/zinc/36/34/13/630363413.db2.gz VVQHNYBMRWKPMH-UTUOFQBUSA-N 0 0 320.216 3.154 20 10 DGCDRN CC[C@@H](NCc1nccc(C(F)(F)F)n1)c1ccccc1O ZINC000840870072 630369621 /nfs/dbraw/zinc/36/96/21/630369621.db2.gz UTNGNKANMLEAFL-LLVKDONJSA-N 0 0 311.307 3.442 20 10 DGCDRN Cc1cc(O)c(CNc2nnc([C@@H]3CCCO3)o2)c(Cl)c1 ZINC000840879597 630371116 /nfs/dbraw/zinc/37/11/16/630371116.db2.gz QKRRTKBPELNHLB-LBPRGKRZSA-N 0 0 309.753 3.201 20 10 DGCDRN O=C1CC[C@H](c2cccc(N[C@H]3CCc4cccc(O)c43)c2)N1 ZINC000840883052 630371650 /nfs/dbraw/zinc/37/16/50/630371650.db2.gz CVTNVSCQQIWZOT-CVEARBPZSA-N 0 0 308.381 3.443 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ccc(OC(C)C)nn1 ZINC000840882787 630371705 /nfs/dbraw/zinc/37/17/05/630371705.db2.gz AIDIYUVOJKMEHS-UHFFFAOYSA-N 0 0 300.406 3.250 20 10 DGCDRN COc1ccc(N2CCN(Cc3ccoc3C)CC2)cc1F ZINC000840919575 630378286 /nfs/dbraw/zinc/37/82/86/630378286.db2.gz KFPICBMRYGZICK-UHFFFAOYSA-N 0 0 304.365 3.058 20 10 DGCDRN COC(=O)Cc1cccc(NCc2ccc(N(C)C)cc2C)c1 ZINC000840936153 630380370 /nfs/dbraw/zinc/38/03/70/630380370.db2.gz FOTZOZXYBHFYQK-UHFFFAOYSA-N 0 0 312.413 3.389 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1cccc2c1CN(C)C2=O ZINC000840959054 630385904 /nfs/dbraw/zinc/38/59/04/630385904.db2.gz XPGFRXWHLPJAHB-UHFFFAOYSA-N 0 0 309.413 3.259 20 10 DGCDRN C[C@@H](C(=O)OC(C)(C)C)N(Cc1cc(F)ccc1O)C1CC1 ZINC000840958736 630386228 /nfs/dbraw/zinc/38/62/28/630386228.db2.gz RQCATWYLMLXVDW-NSHDSACASA-N 0 0 309.381 3.226 20 10 DGCDRN CO[C@@](C)([C@@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F)C1CC1 ZINC000840961121 630387437 /nfs/dbraw/zinc/38/74/37/630387437.db2.gz QRFOYZVOVOKVOF-PSLIRLAXSA-N 0 0 301.789 3.478 20 10 DGCDRN CCN(CC)c1ccc(CN[C@@H](C)c2csnn2)cc1F ZINC000840969803 630388924 /nfs/dbraw/zinc/38/89/24/630388924.db2.gz KHVQTQZBPMTQBK-NSHDSACASA-N 0 0 308.426 3.374 20 10 DGCDRN Cc1ccc(O)c(C[NH2+][C@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000840998350 630393299 /nfs/dbraw/zinc/39/32/99/630393299.db2.gz AIMGQGNNVSBLNC-QGZVFWFLSA-N 0 0 313.397 3.266 20 10 DGCDRN CC1(C)CN(C(=O)Nc2ccc(N)cc2)CC2(CCCC2)O1 ZINC000841296245 630424120 /nfs/dbraw/zinc/42/41/20/630424120.db2.gz RSFAODOWRQNSKX-UHFFFAOYSA-N 0 0 303.406 3.224 20 10 DGCDRN COCC[C@@H](NC(=O)Nc1ccc(N)cc1)c1ccc(C)o1 ZINC000841295535 630424247 /nfs/dbraw/zinc/42/42/47/630424247.db2.gz AJAKKMBUQXDEIY-CQSZACIVSA-N 0 0 303.362 3.070 20 10 DGCDRN CCO[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(N)cc2)C12CCC2 ZINC000841298167 630424591 /nfs/dbraw/zinc/42/45/91/630424591.db2.gz MZMJLFLQKAETNH-CABCVRRESA-N 0 0 303.406 3.080 20 10 DGCDRN CN1CCC[C@@H](NC(=O)Nc2ccc(N)cc2)c2ccccc21 ZINC000841299228 630424957 /nfs/dbraw/zinc/42/49/57/630424957.db2.gz XFIGUGHYEHAXAZ-MRXNPFEDSA-N 0 0 310.401 3.362 20 10 DGCDRN COc1ccc2c(c1)C1(CC1)CN(C(=O)Nc1ccc(N)cc1)C2 ZINC000841299464 630424961 /nfs/dbraw/zinc/42/49/61/630424961.db2.gz LDTUPGAEXGQSJY-UHFFFAOYSA-N 0 0 323.396 3.357 20 10 DGCDRN Cc1cnc([C@@H](NC(=O)Nc2ccc(N)cc2)C2CC2)s1 ZINC000841299542 630425041 /nfs/dbraw/zinc/42/50/41/630425041.db2.gz IPHRXISFVQUGOA-ZDUSSCGKSA-N 0 0 302.403 3.307 20 10 DGCDRN CCc1ccc(N2CCN(C(=O)Nc3ccc(N)cc3)CC2)cc1 ZINC000841301063 630425063 /nfs/dbraw/zinc/42/50/63/630425063.db2.gz YPUYXNAGSXQKOI-UHFFFAOYSA-N 0 0 324.428 3.185 20 10 DGCDRN COc1ccc(CC[C@@H](C)NC(=O)Nc2ccc(N)cc2)cc1 ZINC000841301188 630425077 /nfs/dbraw/zinc/42/50/77/630425077.db2.gz FIXAFACIEAMAMD-CYBMUJFWSA-N 0 0 313.401 3.420 20 10 DGCDRN Cc1ccccc1[C@H]1CN(C(=O)Nc2ccc(N)cc2)CCO1 ZINC000841301062 630425085 /nfs/dbraw/zinc/42/50/85/630425085.db2.gz YPDKNQKDVYKQGY-QGZVFWFLSA-N 0 0 311.385 3.183 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Nc2ccc(N)cc2)cc1 ZINC000841301243 630425424 /nfs/dbraw/zinc/42/54/24/630425424.db2.gz GXLMKQKKJPEKOS-UHFFFAOYSA-N 0 0 312.417 3.437 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)C1SCCCS1 ZINC000841381463 630434514 /nfs/dbraw/zinc/43/45/14/630434514.db2.gz MMAJXSHIIWOZSQ-UHFFFAOYSA-N 0 0 322.499 3.099 20 10 DGCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)[C@@H](C)[C@H]1C ZINC000841580987 630446144 /nfs/dbraw/zinc/44/61/44/630446144.db2.gz KAWSEXQXBLYZPB-PMPSAXMXSA-N 0 0 315.461 3.473 20 10 DGCDRN Nc1ccc(CCNC(=O)N[C@H](c2ccccc2)C2CC2)cc1 ZINC000841668782 630453610 /nfs/dbraw/zinc/45/36/10/630453610.db2.gz CVYBXTOUMPBUAL-GOSISDBHSA-N 0 0 309.413 3.262 20 10 DGCDRN Nc1ccc(CCNC(=O)NC[C@@H]2CCCc3ccccc32)cc1 ZINC000841708288 630457805 /nfs/dbraw/zinc/45/78/05/630457805.db2.gz JNFYXDOGTCTXLZ-KRWDZBQOSA-N 0 0 323.440 3.231 20 10 DGCDRN C[C@@H]([NH2+]CCc1cn2c(n1)CCCC2)c1ccc(Cl)cc1[O-] ZINC000841745659 630461659 /nfs/dbraw/zinc/46/16/59/630461659.db2.gz RYRHLDHVWAXEDB-GFCCVEGCSA-N 0 0 319.836 3.472 20 10 DGCDRN C[C@@H](Nc1ccc(N(C)CCO)cn1)c1ccc(Cl)cc1O ZINC000841749374 630461824 /nfs/dbraw/zinc/46/18/24/630461824.db2.gz DLRKBVAZNQGZTJ-LLVKDONJSA-N 0 0 321.808 3.042 20 10 DGCDRN COCc1nc(CN[C@H](C)c2ccc(Cl)cc2O)cs1 ZINC000841753262 630462451 /nfs/dbraw/zinc/46/24/51/630462451.db2.gz FTHMWFXUDLAAKF-SECBINFHSA-N 0 0 312.822 3.499 20 10 DGCDRN C[C@@H]([NH2+]CCCOC[C@H]1CCOC1)c1ccc(Cl)cc1[O-] ZINC000841756413 630462777 /nfs/dbraw/zinc/46/27/77/630462777.db2.gz XSYCRAPKZVDKLH-CHWSQXEVSA-N 0 0 313.825 3.139 20 10 DGCDRN CCCC[C@@H]1CCC[C@@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841786060 630464760 /nfs/dbraw/zinc/46/47/60/630464760.db2.gz NIPXRYCCODVFGV-WBVHZDCISA-N 0 0 303.450 3.469 20 10 DGCDRN CC(C)[C@@H]1CCC[C@H](NC(=O)NCCc2ccc(N)cc2)C1 ZINC000841788209 630465049 /nfs/dbraw/zinc/46/50/49/630465049.db2.gz DPELOVWKVPZHPZ-WBVHZDCISA-N 0 0 303.450 3.325 20 10 DGCDRN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841787524 630465224 /nfs/dbraw/zinc/46/52/24/630465224.db2.gz CXAXRNSMCHDQQL-IRXDYDNUSA-N 0 0 303.450 3.325 20 10 DGCDRN CC(C)[C@H]1CCCC[C@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841787523 630465342 /nfs/dbraw/zinc/46/53/42/630465342.db2.gz CXAXRNSMCHDQQL-IAGOWNOFSA-N 0 0 303.450 3.325 20 10 DGCDRN COc1ccc(C[NH2+]C[C@H](CC(=O)[O-])c2ccccc2)cc1C ZINC000841793216 630465362 /nfs/dbraw/zinc/46/53/62/630465362.db2.gz AONHIUZFINUGCY-KRWDZBQOSA-N 0 0 313.397 3.352 20 10 DGCDRN COc1ccc(C[NH2+]C[C@]2(CC(=O)[O-])CC[C@@H](C)C2)cc1C ZINC000841793932 630465377 /nfs/dbraw/zinc/46/53/77/630465377.db2.gz RRGSVDIHKNUPQC-FZKQIMNGSA-N 0 0 305.418 3.374 20 10 DGCDRN COc1ccc(C[NH2+][C@H](CCc2ccccc2)C(=O)[O-])cc1C ZINC000841796150 630465682 /nfs/dbraw/zinc/46/56/82/630465682.db2.gz OAUBAVWEQQKOCY-QGZVFWFLSA-N 0 0 313.397 3.179 20 10 DGCDRN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841809512 630466795 /nfs/dbraw/zinc/46/67/95/630466795.db2.gz ZWYZSNVEYIFMKA-FZKQIMNGSA-N 0 0 309.413 3.044 20 10 DGCDRN COc1ccc(C[NH2+][C@H](CSCC=C(C)C)C(=O)[O-])cc1C ZINC000841810588 630467242 /nfs/dbraw/zinc/46/72/42/630467242.db2.gz JFUUUFSVXNXTMA-OAHLLOKOSA-N 0 0 323.458 3.246 20 10 DGCDRN CC[C@@H](CC[NH2+]Cc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000841821235 630468616 /nfs/dbraw/zinc/46/86/16/630468616.db2.gz ZBBFUDRYFREYJV-INIZCTEOSA-N 0 0 304.434 3.267 20 10 DGCDRN C[C@H](NC(=O)NCCc1ccc(N)cc1)[C@@H](C)c1ccccc1 ZINC000841849502 630470860 /nfs/dbraw/zinc/47/08/60/630470860.db2.gz YGKOANMQMJPZSP-CABCVRRESA-N 0 0 311.429 3.303 20 10 DGCDRN CC(C)[C@H]1N(C(=O)NCCc2ccc(N)cc2)CC12CCCC2 ZINC000841955675 630476790 /nfs/dbraw/zinc/47/67/90/630476790.db2.gz JRCDWCHLWZYDKM-QGZVFWFLSA-N 0 0 315.461 3.422 20 10 DGCDRN CCC[C@H](C)[C@H]1CCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841956397 630476892 /nfs/dbraw/zinc/47/68/92/630476892.db2.gz ALVUXXCMVGNPJJ-WMLDXEAASA-N 0 0 303.450 3.422 20 10 DGCDRN Cc1ccccc1[C@H]1CCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841956808 630476914 /nfs/dbraw/zinc/47/69/14/630476914.db2.gz JBUXRISHAFQWNG-KRWDZBQOSA-N 0 0 323.440 3.319 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CCC3(CCCC3)CC2)cc1 ZINC000841954800 630476937 /nfs/dbraw/zinc/47/69/37/630476937.db2.gz PWEXGSFFNBBPRU-UHFFFAOYSA-N 0 0 301.434 3.177 20 10 DGCDRN CCS[C@@H]1CCCCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841955046 630476952 /nfs/dbraw/zinc/47/69/52/630476952.db2.gz UANGDMDQZMUHFD-MRXNPFEDSA-N 0 0 321.490 3.129 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CC[C@@H](c3ccccc3)C2)cc1 ZINC000841957196 630476955 /nfs/dbraw/zinc/47/69/55/630476955.db2.gz PBPWVXXEINOBIA-QGZVFWFLSA-N 0 0 309.413 3.010 20 10 DGCDRN CC(C)(C)C[C@H]1CCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841957209 630476981 /nfs/dbraw/zinc/47/69/81/630476981.db2.gz PJVJDCUUUPJFKI-MRXNPFEDSA-N 0 0 303.450 3.422 20 10 DGCDRN CN(CCCc1ccccc1)C(=O)NCCc1ccc(N)cc1 ZINC000841961760 630477174 /nfs/dbraw/zinc/47/71/74/630477174.db2.gz HXKLYNAHYNXEPF-UHFFFAOYSA-N 0 0 311.429 3.086 20 10 DGCDRN C[C@H](c1ccccc1F)N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841963096 630477217 /nfs/dbraw/zinc/47/72/17/630477217.db2.gz WICACJZMHFJVHR-CYBMUJFWSA-N 0 0 315.392 3.353 20 10 DGCDRN C[C@H]1CC[C@@]2(CCN(C(=O)NCCc3ccc(N)cc3)C2)C1 ZINC000841959004 630477238 /nfs/dbraw/zinc/47/72/38/630477238.db2.gz KECXVUGUOILCLR-KBXCAEBGSA-N 0 0 301.434 3.033 20 10 DGCDRN C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)[C@H]2CCCC[C@@H]12 ZINC000841960931 630477264 /nfs/dbraw/zinc/47/72/64/630477264.db2.gz YALVSZPMWFWBRE-COXVUDFISA-N 0 0 301.434 3.031 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccnc3ccccc32)c1 ZINC000104900509 630574035 /nfs/dbraw/zinc/57/40/35/630574035.db2.gz MHJLJJRWRPSPCY-GFCCVEGCSA-N 0 0 322.364 3.440 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)[C@H]3C[C@@H]3C3CC3)C2)cc1 ZINC000842873369 630588124 /nfs/dbraw/zinc/58/81/24/630588124.db2.gz HHJGKCDPIYLIGI-VHSSKADRSA-N 0 0 315.413 3.111 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)C3CC=CC3)C2)cc1 ZINC000842878869 630588489 /nfs/dbraw/zinc/58/84/89/630588489.db2.gz MQEYOYZYKRZJIP-CQSZACIVSA-N 0 0 301.386 3.031 20 10 DGCDRN CC[C@H](SC)C(=O)OC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000842878150 630588520 /nfs/dbraw/zinc/58/85/20/630588520.db2.gz HTYFXQOTLOARKE-CJNGLKHVSA-N 0 0 323.458 3.206 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)[C@H]3CC34CCC4)C2)cc1 ZINC000842878087 630588558 /nfs/dbraw/zinc/58/85/58/630588558.db2.gz HAMRQKYAAOCTAC-RHSMWYFYSA-N 0 0 315.413 3.255 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)c3ccc(C)o3)C2)cc1 ZINC000842882291 630589218 /nfs/dbraw/zinc/58/92/18/630589218.db2.gz UIHJSQMQTMLGHG-CQSZACIVSA-N 0 0 315.369 3.280 20 10 DGCDRN C[C@@H]([NH2+][C@H](CCO)c1ccccc1F)c1ccc(F)cc1[O-] ZINC000842924426 630593926 /nfs/dbraw/zinc/59/39/26/630593926.db2.gz QCCJKNVXJQUANG-BDJLRTHQSA-N 0 0 307.340 3.445 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cc(Br)cc(F)c1[O-] ZINC000842928901 630594548 /nfs/dbraw/zinc/59/45/48/630594548.db2.gz KYZDMPUVNATART-MRTMQBJTSA-N 0 0 318.186 3.122 20 10 DGCDRN Cn1c2ccc(OC(=O)C3=CCOCC3)cc2c2c1CCCC2 ZINC000843020371 630604100 /nfs/dbraw/zinc/60/41/00/630604100.db2.gz GVULEGFQRMKNLO-UHFFFAOYSA-N 0 0 311.381 3.309 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000843048026 630608104 /nfs/dbraw/zinc/60/81/04/630608104.db2.gz JOJXUOCTUHQDSY-KBPBESRZSA-N 0 0 312.816 3.291 20 10 DGCDRN CCCc1ncc(-c2nc(Cc3ccc(N)cc3)no2)s1 ZINC000843158287 630622850 /nfs/dbraw/zinc/62/28/50/630622850.db2.gz AVQDDORRWWUCDH-UHFFFAOYSA-N 0 0 300.387 3.319 20 10 DGCDRN CC(C)Cc1cc(-c2nc(Cc3ccc(N)cc3)no2)cc(=O)[nH]1 ZINC000843159288 630623365 /nfs/dbraw/zinc/62/33/65/630623365.db2.gz OFGSSYPTWOPSIG-UHFFFAOYSA-N 0 0 324.384 3.209 20 10 DGCDRN COc1ccc(CCCc2nc(Cc3ccc(N)cc3)no2)cc1 ZINC000843159542 630623467 /nfs/dbraw/zinc/62/34/67/630623467.db2.gz SNKXBANXRCKCGD-UHFFFAOYSA-N 0 0 323.396 3.427 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CCO[C@]3(CCSC3)C2)cc1 ZINC000843418420 630654953 /nfs/dbraw/zinc/65/49/53/630654953.db2.gz SWLXVZVCBSZZTG-GOSISDBHSA-N 0 0 320.502 3.241 20 10 DGCDRN CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000843503298 630662852 /nfs/dbraw/zinc/66/28/52/630662852.db2.gz BPXKBSJCOYTBDF-DOTOQJQBSA-N 0 0 300.446 3.486 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@]2(C)CCc3ccccc32)cc1 ZINC000843519994 630665328 /nfs/dbraw/zinc/66/53/28/630665328.db2.gz PIWJOGVFBAHZSB-HXUWFJFHSA-N 0 0 308.425 3.273 20 10 DGCDRN CSc1cccc(C(=O)NCc2ccc(N(C)C)cc2C)n1 ZINC000843550345 630669749 /nfs/dbraw/zinc/66/97/49/630669749.db2.gz INSUXXTXTIJTHD-UHFFFAOYSA-N 0 0 315.442 3.108 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCC(=O)C1 ZINC000843758376 630698296 /nfs/dbraw/zinc/69/82/96/630698296.db2.gz PRKUNQBJBWGRTD-MRXNPFEDSA-N 0 0 314.429 3.005 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2CO[C@@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000844104406 630709558 /nfs/dbraw/zinc/70/95/58/630709558.db2.gz DKGJDMDBZCHWHW-HOCLYGCPSA-N 0 0 312.413 3.310 20 10 DGCDRN O=C(NCC[C@@H]1CSc2ccccc2O1)C1=CC(=O)CS1 ZINC000844146037 630710525 /nfs/dbraw/zinc/71/05/25/630710525.db2.gz HSHFCRQYJGWGLE-LLVKDONJSA-N 0 0 321.423 3.127 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccccc2N)cc1 ZINC000844167094 630711287 /nfs/dbraw/zinc/71/12/87/630711287.db2.gz OIPNPXPPUHEEDN-UHFFFAOYSA-N 0 0 311.429 3.387 20 10 DGCDRN CCN(Cc1cc2n(n1)CCCC2)c1ccc(OC)c(OC)c1 ZINC000844305707 630717595 /nfs/dbraw/zinc/71/75/95/630717595.db2.gz RQAGKMSJSXLXRS-UHFFFAOYSA-N 0 0 315.417 3.263 20 10 DGCDRN COC/C(C)=C\C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000844322948 630718921 /nfs/dbraw/zinc/71/89/21/630718921.db2.gz RIOLMBORYRJSJP-PTNGSMBKSA-N 0 0 304.434 3.082 20 10 DGCDRN CCOc1ccc(NC(=O)CN(C)c2ccc(OC)cc2)cc1 ZINC000844353354 630720732 /nfs/dbraw/zinc/72/07/32/630720732.db2.gz SXSLBGYQSSMWQL-UHFFFAOYSA-N 0 0 314.385 3.169 20 10 DGCDRN CSc1cccnc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000844396825 630724328 /nfs/dbraw/zinc/72/43/28/630724328.db2.gz SUVIUAMZHWOFAG-UHFFFAOYSA-N 0 0 315.442 3.108 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)Nc1nnc(C2CC2)s1 ZINC000844487791 630734304 /nfs/dbraw/zinc/73/43/04/630734304.db2.gz YRPLCABPBNMCLA-UHFFFAOYSA-N 0 0 324.793 3.096 20 10 DGCDRN CC(C)n1cc(NC(=O)NCc2cc(Cl)ccc2O)cn1 ZINC000844553574 630738894 /nfs/dbraw/zinc/73/88/94/630738894.db2.gz YDGBGYBQGNRJHO-UHFFFAOYSA-N 0 0 308.769 3.145 20 10 DGCDRN C/C(=C\C(=O)N(CC(C)C)c1ccc(F)cn1)c1cnccn1 ZINC000844640656 630746246 /nfs/dbraw/zinc/74/62/46/630746246.db2.gz FXQSJNUZOKYBHK-MDWZMJQESA-N 0 0 314.364 3.103 20 10 DGCDRN CC[C@H](NC(=O)NCc1cc(Cl)ccc1O)C(F)(F)F ZINC000844644579 630746923 /nfs/dbraw/zinc/74/69/23/630746923.db2.gz ODYAFPWMLWDHSW-JTQLQIEISA-N 0 0 310.703 3.186 20 10 DGCDRN CC(C)n1ccc(NC(=O)NCc2cc(Cl)ccc2O)n1 ZINC000844652486 630752980 /nfs/dbraw/zinc/75/29/80/630752980.db2.gz HFHGWQSGDOGSPJ-UHFFFAOYSA-N 0 0 308.769 3.145 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H]2CC23CCCC3)cc1 ZINC000844854808 630945221 /nfs/dbraw/zinc/94/52/21/630945221.db2.gz NPLJVPRLIRMMDN-QGZVFWFLSA-N 0 0 316.445 3.170 20 10 DGCDRN COc1cccc(CNC(=O)c2ccc(C)c(Cl)c2)c1O ZINC000105649679 630950748 /nfs/dbraw/zinc/95/07/48/630950748.db2.gz QHWLXEWVSNHRIH-UHFFFAOYSA-N 0 0 305.761 3.293 20 10 DGCDRN COc1cccc(CNC(=O)c2ccc(CSC)cc2)c1O ZINC000105652902 630950806 /nfs/dbraw/zinc/95/08/06/630950806.db2.gz MXELRSBJSZCGDK-UHFFFAOYSA-N 0 0 317.410 3.194 20 10 DGCDRN CC[C@@H](C(=O)[O-])[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000844936048 630992450 /nfs/dbraw/zinc/99/24/50/630992450.db2.gz IDBBKTIYQQTTGP-ZDUSSCGKSA-N 0 0 318.339 3.066 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)N[C@@H](C1CC1)C1CCC1 ZINC000845250998 631156214 /nfs/dbraw/zinc/15/62/14/631156214.db2.gz JBBTXUOUTFPTEL-OAHLLOKOSA-N 0 0 308.809 3.424 20 10 DGCDRN C[C@H](CNC(=O)NCc1cc(Cl)ccc1O)CC(F)F ZINC000845274249 631159353 /nfs/dbraw/zinc/15/93/53/631159353.db2.gz GZHKYDOLTMYJOU-QMMMGPOBSA-N 0 0 306.740 3.136 20 10 DGCDRN CC(C)c1nnc2c(NCc3cc(Cl)ccc3O)nccn21 ZINC000845709288 631190534 /nfs/dbraw/zinc/19/05/34/631190534.db2.gz QIFIADPWHNSAJD-UHFFFAOYSA-N 0 0 317.780 3.219 20 10 DGCDRN CCC[C@H](C)S(=O)(=O)NCc1ccc(N(CC)CC)cc1 ZINC000845823709 631197680 /nfs/dbraw/zinc/19/76/80/631197680.db2.gz KNVGUGPRNXGXJB-AWEZNQCLSA-N 0 0 312.479 3.141 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)c1 ZINC000845832301 631198113 /nfs/dbraw/zinc/19/81/13/631198113.db2.gz BXLCUKKSQKQZMW-NFFDBFGFSA-N 0 0 301.386 3.180 20 10 DGCDRN C[C@H](O)[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])c1ccccc1F ZINC000846017769 631206378 /nfs/dbraw/zinc/20/63/78/631206378.db2.gz PVDXCXIJOOMNQU-ZUZCIYMTSA-N 0 0 309.768 3.396 20 10 DGCDRN Cc1nn(C)c(Cl)c1C[NH2+]Cc1cc(Cl)ccc1O ZINC000846057838 631208679 /nfs/dbraw/zinc/20/86/79/631208679.db2.gz KLNVLACSGVPLLP-UHFFFAOYSA-N 0 0 300.189 3.031 20 10 DGCDRN C[C@@H]([NH2+]C[C@]1(CO)CCc2ccccc21)c1ccc(F)cc1[O-] ZINC000846177317 631213524 /nfs/dbraw/zinc/21/35/24/631213524.db2.gz AAKDTNCQUSDXOZ-YJYMSZOUSA-N 0 0 315.388 3.058 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1ccc(F)cc1[O-] ZINC000846202100 631214562 /nfs/dbraw/zinc/21/45/62/631214562.db2.gz UHPSUMMCWPZGME-DWQUBVKVSA-N 0 0 316.376 3.497 20 10 DGCDRN Cc1cc(C[NH2+][C@@H](C)[C@@H](C)C(=O)[O-])ccc1N1CCCCC1 ZINC000846228775 631215795 /nfs/dbraw/zinc/21/57/95/631215795.db2.gz OTQDKNNAUDQAGD-CABCVRRESA-N 0 0 304.434 3.184 20 10 DGCDRN Cc1cc(C[N@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)ccc1N(C)C ZINC000846270819 631218381 /nfs/dbraw/zinc/21/83/81/631218381.db2.gz NRUOCNPFPIVCGC-GOSISDBHSA-N 0 0 324.424 3.245 20 10 DGCDRN Cc1csc(CCC(=O)NCc2cc(Cl)ccc2O)n1 ZINC000846473133 631249841 /nfs/dbraw/zinc/24/98/41/631249841.db2.gz JINQELCRTBESQJ-UHFFFAOYSA-N 0 0 310.806 3.060 20 10 DGCDRN C[C@@H](CC(=O)NCc1cc(Cl)ccc1O)c1ccncc1 ZINC000846476816 631250319 /nfs/dbraw/zinc/25/03/19/631250319.db2.gz QSUFGUHRZNFGNT-NSHDSACASA-N 0 0 304.777 3.251 20 10 DGCDRN C[C@H](CC(=O)NCc1cc(Cl)ccc1O)c1ccncc1 ZINC000846476812 631250375 /nfs/dbraw/zinc/25/03/75/631250375.db2.gz QSUFGUHRZNFGNT-LLVKDONJSA-N 0 0 304.777 3.251 20 10 DGCDRN Cc1cc(C(=O)N(C)[C@H](C)CCO)c(C)n1-c1ccc(F)cc1 ZINC000846600994 631272292 /nfs/dbraw/zinc/27/22/92/631272292.db2.gz OTDBBCWWXXAZGC-GFCCVEGCSA-N 0 0 318.392 3.076 20 10 DGCDRN CCOCCOCCN(C)c1ccc(-c2nccs2)cc1 ZINC000846752317 631294664 /nfs/dbraw/zinc/29/46/64/631294664.db2.gz GZQZXPCXFXXOCX-UHFFFAOYSA-N 0 0 306.431 3.299 20 10 DGCDRN COc1ccc2c(c1)CCCN2C(=O)/C(C)=C\c1cccnc1 ZINC000846792060 631307179 /nfs/dbraw/zinc/30/71/79/631307179.db2.gz HXYDTQYSMGRBKN-KAMYIIQDSA-N 0 0 308.381 3.473 20 10 DGCDRN C/C(=C\c1cccnc1)C(=O)NCc1ccc(N(C)C)cc1C ZINC000846875119 631336307 /nfs/dbraw/zinc/33/63/07/631336307.db2.gz DAMIQOXEJIVSHL-XNTDXEJSSA-N 0 0 309.413 3.176 20 10 DGCDRN C/C(=C\c1ccco1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000846898544 631346417 /nfs/dbraw/zinc/34/64/17/631346417.db2.gz GZXQBAWPZSPMNB-ACCUITESSA-N 0 0 312.369 3.175 20 10 DGCDRN COc1ccc(CNC(=O)C2CCC(C3CC3)CC2)c(O)c1 ZINC000846950398 631363641 /nfs/dbraw/zinc/36/36/41/631363641.db2.gz ORUATJCBPDLCPC-UHFFFAOYSA-N 0 0 303.402 3.233 20 10 DGCDRN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2C(=O)C2=CC(=O)CS2)C1 ZINC000846972130 631370873 /nfs/dbraw/zinc/37/08/73/631370873.db2.gz MATNVXCITVQLSD-NGFQHRJXSA-N 0 0 323.458 3.246 20 10 DGCDRN CCc1nc(CN(C)c2ccc(-c3nccs3)cc2)no1 ZINC000846991328 631375082 /nfs/dbraw/zinc/37/50/82/631375082.db2.gz JKBDVFWVWIZCCE-UHFFFAOYSA-N 0 0 300.387 3.392 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)C(CC)(CC)CO)cc1 ZINC000847303461 631456918 /nfs/dbraw/zinc/45/69/18/631456918.db2.gz CKEGRAUNZBPLGP-UHFFFAOYSA-N 0 0 320.477 3.290 20 10 DGCDRN C/C(=C/c1cccnc1)C(=O)NCCCSc1nccs1 ZINC000847487809 631481258 /nfs/dbraw/zinc/48/12/58/631481258.db2.gz LJULTQXIIQDMPK-BENRWUELSA-N 0 0 319.455 3.240 20 10 DGCDRN C/C(=C\c1ccncc1)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000847591097 631493694 /nfs/dbraw/zinc/49/36/94/631493694.db2.gz PFMWJQQPQIOKKW-WYMLVPIESA-N 0 0 322.408 3.386 20 10 DGCDRN COc1ccc(O)c(CNC(=O)CCCc2ccc(F)cc2)c1 ZINC000847591355 631494563 /nfs/dbraw/zinc/49/45/63/631494563.db2.gz UBJOLGHOKVVBKM-UHFFFAOYSA-N 0 0 317.360 3.179 20 10 DGCDRN C[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)c1ccccn1 ZINC000848225239 631629751 /nfs/dbraw/zinc/62/97/51/631629751.db2.gz FIBAHRAUOBPOAW-INIZCTEOSA-N 0 0 323.440 3.492 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000848559410 631693133 /nfs/dbraw/zinc/69/31/33/631693133.db2.gz WIOKSPKHWCNLHF-VWPFQQQWSA-N 0 0 324.440 3.070 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1cccc(Cl)c1[O-] ZINC000848574323 631700394 /nfs/dbraw/zinc/70/03/94/631700394.db2.gz RTWRPKBDGUCXDE-RISCZKNCSA-N 0 0 324.808 3.070 20 10 DGCDRN CCc1cccc(CNCc2nc(C)c3ccccc3n2)c1O ZINC000848894263 631775695 /nfs/dbraw/zinc/77/56/95/631775695.db2.gz HNSWONHOWWFNJG-UHFFFAOYSA-N 0 0 307.397 3.496 20 10 DGCDRN CCc1cccc(CNCc2csc([C@@H](C)OC)n2)c1O ZINC000848898262 631777756 /nfs/dbraw/zinc/77/77/56/631777756.db2.gz RQKBFTFFAVOBLT-LLVKDONJSA-N 0 0 306.431 3.408 20 10 DGCDRN CCc1cccc(CNc2cc(C)cc(OCCO)c2)c1O ZINC000848907027 631781573 /nfs/dbraw/zinc/78/15/73/631781573.db2.gz GODROKCOLATXJK-UHFFFAOYSA-N 0 0 301.386 3.246 20 10 DGCDRN CCc1cccc(CN[C@H](C)C(=O)OCc2ccccc2)c1O ZINC000848922546 631788998 /nfs/dbraw/zinc/78/89/98/631788998.db2.gz RWKJBUVCSRBJGM-CQSZACIVSA-N 0 0 313.397 3.176 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000848927255 631791434 /nfs/dbraw/zinc/79/14/34/631791434.db2.gz DHYZRIGEKSNBJK-HUUCEWRRSA-N 0 0 312.816 3.291 20 10 DGCDRN Cc1cccc(CN[C@@H](C[C@@H]2CCCO2)C(F)(F)F)c1O ZINC000848927786 631791441 /nfs/dbraw/zinc/79/14/41/631791441.db2.gz NQBKXXUZDAJCFP-STQMWFEESA-N 0 0 303.324 3.290 20 10 DGCDRN Oc1ccc(F)cc1CN[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000848928188 631792143 /nfs/dbraw/zinc/79/21/43/631792143.db2.gz WWZZJEVBOBYFAM-AAEUAGOBSA-N 0 0 307.287 3.121 20 10 DGCDRN C[C@H](c1ccccc1)[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C(=O)[O-] ZINC000849230165 631859889 /nfs/dbraw/zinc/85/98/89/631859889.db2.gz CGBKMBUSHVGMOX-RDTXWAMCSA-N 0 0 312.413 3.099 20 10 DGCDRN CCc1cccc(NC(=S)NCc2nccc(OC)c2F)c1 ZINC000849296905 631883084 /nfs/dbraw/zinc/88/30/84/631883084.db2.gz LPNAVIPBVPPEPL-UHFFFAOYSA-N 0 0 319.405 3.278 20 10 DGCDRN COc1nnc(NCc2cc(OC)cc(C(C)(C)C)c2O)s1 ZINC000849344828 631897408 /nfs/dbraw/zinc/89/74/08/631897408.db2.gz FOVCCPIBUAKJOG-UHFFFAOYSA-N 0 0 323.418 3.171 20 10 DGCDRN COc1cc(CNCc2cc(C)on2)c(O)c(C(C)(C)C)c1 ZINC000850075714 632049493 /nfs/dbraw/zinc/04/94/93/632049493.db2.gz XXRQORREQCNYFA-UHFFFAOYSA-N 0 0 304.390 3.285 20 10 DGCDRN Cn1cnc2cc(NCc3ccc(O[C@H]4CCOC4)cc3)ccc21 ZINC000850217672 632083870 /nfs/dbraw/zinc/08/38/70/632083870.db2.gz INEKQEPFJYLDSH-KRWDZBQOSA-N 0 0 323.396 3.353 20 10 DGCDRN COc1cc(CNc2cnccc2CO)c(O)c(C(C)(C)C)c1 ZINC000850222407 632084241 /nfs/dbraw/zinc/08/42/41/632084241.db2.gz XMCZJBPKZPZEDP-UHFFFAOYSA-N 0 0 316.401 3.198 20 10 DGCDRN COc1nn(C)cc1NCc1cc(OC)cc(C(C)(C)C)c1O ZINC000850272263 632099936 /nfs/dbraw/zinc/09/99/36/632099936.db2.gz PDHDSTJKSWJKSW-UHFFFAOYSA-N 0 0 319.405 3.053 20 10 DGCDRN C[C@@H]1CCCC[C@H]1NC(=S)NCc1ccc(N(C)C)cc1 ZINC000007371704 632119135 /nfs/dbraw/zinc/11/91/35/632119135.db2.gz CRPPDGSYRFUSBI-CZUORRHYSA-N 0 0 305.491 3.295 20 10 DGCDRN COCC1([NH2+]Cc2cccc(Br)c2[O-])CCCC1 ZINC000850345112 632119876 /nfs/dbraw/zinc/11/98/76/632119876.db2.gz KGWOJAPKSVIALT-UHFFFAOYSA-N 0 0 314.223 3.204 20 10 DGCDRN CC(C)(C)N1CC[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000850351932 632121758 /nfs/dbraw/zinc/12/17/58/632121758.db2.gz XISIXWGMWZLNSP-SNVBAGLBSA-N 0 0 300.805 3.147 20 10 DGCDRN CC(C)(C)OCCC[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000850368269 632128296 /nfs/dbraw/zinc/12/82/96/632128296.db2.gz AZAZXABDZYVXAQ-UHFFFAOYSA-N 0 0 316.785 3.249 20 10 DGCDRN Oc1cccc(Cl)c1CNc1ccn(C2CCOCC2)n1 ZINC000850384840 632134852 /nfs/dbraw/zinc/13/48/52/632134852.db2.gz RKVGWRAUYTUUNR-UHFFFAOYSA-N 0 0 307.781 3.206 20 10 DGCDRN COC[C@@H](CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])OC ZINC000850485375 632167015 /nfs/dbraw/zinc/16/70/15/632167015.db2.gz GOWMLXSDYWSEOU-VHSXEESVSA-N 0 0 322.232 3.401 20 10 DGCDRN Cc1cc(Cl)cc([C@H](C)N[C@H]2C[C@@H](C)n3ncnc32)c1O ZINC000850499204 632172605 /nfs/dbraw/zinc/17/26/05/632172605.db2.gz LFQTULAYMMKGOZ-NRUUGDAUSA-N 0 0 306.797 3.302 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCC2(CSC)CC2)c1 ZINC000850508624 632174249 /nfs/dbraw/zinc/17/42/49/632174249.db2.gz VDFOFJWOSZFQLG-GFCCVEGCSA-N 0 0 323.458 3.363 20 10 DGCDRN C[C@@H]([NH2+][C@H](C)C1(CO)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000850515416 632176571 /nfs/dbraw/zinc/17/65/71/632176571.db2.gz KUIIDNMLKAZXLM-NXEZZACHSA-N 0 0 303.324 3.223 20 10 DGCDRN CCn1cc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)nn1 ZINC000850522175 632178330 /nfs/dbraw/zinc/17/83/30/632178330.db2.gz GNDHBTKEIYXVGH-OAHLLOKOSA-N 0 0 313.449 3.139 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1COc2cc(F)ccc2C1)c1cc(F)cc(F)c1[O-] ZINC000850538094 632185869 /nfs/dbraw/zinc/18/58/69/632185869.db2.gz VQNYVEBQBHKXGI-RNCFNFMXSA-N 0 0 323.314 3.464 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1)c1ccc(F)cc1[O-] ZINC000850540057 632187306 /nfs/dbraw/zinc/18/73/06/632187306.db2.gz HVWXUHKFVNJQMK-RVSPLBMKSA-N 0 0 317.408 3.327 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850550987 632190240 /nfs/dbraw/zinc/19/02/40/632190240.db2.gz FXQPENNIUNFHNR-PELKAZGASA-N 0 0 300.305 3.242 20 10 DGCDRN C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000850583623 632202236 /nfs/dbraw/zinc/20/22/36/632202236.db2.gz MSGLHRLTGUIBDV-USBNGQNGSA-N 0 0 307.340 3.443 20 10 DGCDRN Cc1cc(NC(=O)NCc2ccc(N3CCCC3)cc2)ccc1N ZINC000850780828 632223387 /nfs/dbraw/zinc/22/33/87/632223387.db2.gz LVXXTXWHIVNNGO-UHFFFAOYSA-N 0 0 324.428 3.499 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)CCn2cccn2)cc1 ZINC000109970431 632405291 /nfs/dbraw/zinc/40/52/91/632405291.db2.gz ZIXGCJDWMHOUHH-UHFFFAOYSA-N 0 0 322.412 3.063 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OC[C@H]1[C@@H]2COC[C@H]12 ZINC000851482751 632424873 /nfs/dbraw/zinc/42/48/73/632424873.db2.gz UPIQOALGXTZCTI-WDNDVIMCSA-N 0 0 317.410 3.205 20 10 DGCDRN COC[C@@H](CN(C)c1ccc(OCc2ccccc2)cc1)OC ZINC000851966155 632530622 /nfs/dbraw/zinc/53/06/22/632530622.db2.gz ZFLNLNJEGRHRNO-LJQANCHMSA-N 0 0 315.413 3.363 20 10 DGCDRN CCc1cccc(OCC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000008171168 632545479 /nfs/dbraw/zinc/54/54/79/632545479.db2.gz JJLMZOPMZZLEDV-UHFFFAOYSA-N 0 0 312.413 3.010 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CCc2ccccc2F)cc1 ZINC000008172228 632546141 /nfs/dbraw/zinc/54/61/41/632546141.db2.gz OUNKDRMCRDMJFB-UHFFFAOYSA-N 0 0 300.377 3.141 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CC[C@@H]2C(F)(F)F)c1O ZINC000852060891 632547903 /nfs/dbraw/zinc/54/79/03/632547903.db2.gz ZMLYHKMQIDIXRS-LLVKDONJSA-N 0 0 307.699 3.385 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CC[C@H]2C(F)(F)F)c1O ZINC000852060892 632548115 /nfs/dbraw/zinc/54/81/15/632548115.db2.gz ZMLYHKMQIDIXRS-NSHDSACASA-N 0 0 307.699 3.385 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)N[C@H]3C=CCC3)cc2)CC1 ZINC000852080891 632550661 /nfs/dbraw/zinc/55/06/61/632550661.db2.gz HQNPFIUVWPPLBN-KRWDZBQOSA-N 0 0 313.445 3.441 20 10 DGCDRN COc1cc2c(c(OC)c1)N(Cc1cccc(F)n1)CCC2 ZINC000852173841 632566911 /nfs/dbraw/zinc/56/69/11/632566911.db2.gz YSDNYZUVOKXDCG-UHFFFAOYSA-N 0 0 302.349 3.191 20 10 DGCDRN CCOC(=O)CN(CC=C(Cl)Cl)Cc1ccccc1O ZINC000852192528 632568563 /nfs/dbraw/zinc/56/85/63/632568563.db2.gz SDLBTZYIDSNTRF-UHFFFAOYSA-N 0 0 318.200 3.076 20 10 DGCDRN COc1ccc(N(C)Cc2nnc(C(F)(F)F)s2)cc1 ZINC000852208525 632571005 /nfs/dbraw/zinc/57/10/05/632571005.db2.gz GNSZVZHRLROPTO-UHFFFAOYSA-N 0 0 303.309 3.202 20 10 DGCDRN CCSC1(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000852261765 632578221 /nfs/dbraw/zinc/57/82/21/632578221.db2.gz VGSLGEMEKFZYSA-CYBMUJFWSA-N 0 0 321.490 3.399 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(F)cc1F ZINC000184926833 660194846 /nfs/dbraw/zinc/19/48/46/660194846.db2.gz RYZQQNOUXKAZOQ-VIFPVBQESA-N 0 0 322.311 3.129 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OC[C@H]1CCOC1 ZINC000131194270 660227251 /nfs/dbraw/zinc/22/72/51/660227251.db2.gz CTXFGHIDEYUMIP-ZDUSSCGKSA-N 0 0 305.399 3.349 20 10 DGCDRN O=C(C[C@@H]1CCCO1)N(Cc1ccco1)Cc1ccccc1O ZINC000173673430 659396372 /nfs/dbraw/zinc/39/63/72/659396372.db2.gz VBTBJWFQERREHZ-HNNXBMFYSA-N 0 0 315.369 3.083 20 10 DGCDRN Cc1cncc(/C=C/C(=O)N2C[C@@H](C)Oc3c(F)cccc32)c1 ZINC000185589895 660231995 /nfs/dbraw/zinc/23/19/95/660231995.db2.gz YTMXYVKHGONMPU-KTRBRXNASA-N 0 0 312.344 3.356 20 10 DGCDRN COc1cc(C)sc1C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000073110665 660242539 /nfs/dbraw/zinc/24/25/39/660242539.db2.gz HZZADRYRGNWSTQ-SNVBAGLBSA-N 0 0 321.398 3.270 20 10 DGCDRN C[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000186189705 660335119 /nfs/dbraw/zinc/33/51/19/660335119.db2.gz WWABCROATLMCJR-DIFFPNOSSA-N 0 0 307.340 3.229 20 10 DGCDRN Cc1ncsc1/C=C/C(=O)N1CCCN(C)c2ccccc21 ZINC000186532761 660531020 /nfs/dbraw/zinc/53/10/20/660531020.db2.gz ODYKKJNIRFKCRK-CMDGGOBGSA-N 0 0 313.426 3.338 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@H]3CCC[C@@H]32)cc1F ZINC000073915808 660574871 /nfs/dbraw/zinc/57/48/71/660574871.db2.gz UFXRULGUWBASAK-ZBFHGGJFSA-N 0 0 319.424 3.366 20 10 DGCDRN Cc1csc(CNCc2c(O)cccc2Br)n1 ZINC000706821696 660873833 /nfs/dbraw/zinc/87/38/33/660873833.db2.gz MTCFQEZPRIDKGE-UHFFFAOYSA-N 0 0 313.220 3.209 20 10 DGCDRN CC[C@@H]1CN(Cc2c(O)cccc2Br)[C@H](C)CO1 ZINC000707143452 660887976 /nfs/dbraw/zinc/88/79/76/660887976.db2.gz SHQUEZHEJBJJKV-GHMZBOCLSA-N 0 0 314.223 3.154 20 10 DGCDRN CC[C@@H](O)CC[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708098289 660918043 /nfs/dbraw/zinc/91/80/43/660918043.db2.gz HAMOSBHMGCSXKG-SNVBAGLBSA-N 0 0 322.630 3.059 20 10 DGCDRN CC[C@H](O)CC[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708098288 660918086 /nfs/dbraw/zinc/91/80/86/660918086.db2.gz HAMOSBHMGCSXKG-JTQLQIEISA-N 0 0 322.630 3.059 20 10 DGCDRN CO[C@H](C)CC[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708100199 660918095 /nfs/dbraw/zinc/91/80/95/660918095.db2.gz UDSKEMVEIRNJOU-MRVPVSSYSA-N 0 0 322.630 3.323 20 10 DGCDRN C[C@@H](CCCO)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708098607 660918098 /nfs/dbraw/zinc/91/80/98/660918098.db2.gz LEPSERXOIVJVOK-QMMMGPOBSA-N 0 0 322.630 3.059 20 10 DGCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+][C@H]1CCSC1 ZINC000708190704 660918628 /nfs/dbraw/zinc/91/86/28/660918628.db2.gz MZCWIDLJYHOXCY-VIFPVBQESA-N 0 0 322.655 3.403 20 10 DGCDRN O=C(/C=C/c1ccccc1)NCCCSc1nccs1 ZINC000074135901 660946509 /nfs/dbraw/zinc/94/65/09/660946509.db2.gz XCLGZKAWKPHOPY-BQYQJAHWSA-N 0 0 304.440 3.455 20 10 DGCDRN [O-]c1c(Br)cccc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC000711479131 660954364 /nfs/dbraw/zinc/95/43/64/660954364.db2.gz XFQALZYRQANLNN-JTQLQIEISA-N 0 0 302.187 3.336 20 10 DGCDRN CC[C@@H]1COCCN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792789112 660984893 /nfs/dbraw/zinc/98/48/93/660984893.db2.gz UYOHZQIRBUOFFN-CYBMUJFWSA-N 0 0 316.367 3.382 20 10 DGCDRN CCc1ccc(CNC(=O)NCc2ccc(OC)cc2O)s1 ZINC000792809869 660986268 /nfs/dbraw/zinc/98/62/68/660986268.db2.gz DOCZGLNYDUJGPO-UHFFFAOYSA-N 0 0 320.414 3.024 20 10 DGCDRN C[C@H]1OCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)[C@H]1C ZINC000792822271 660986582 /nfs/dbraw/zinc/98/65/82/660986582.db2.gz JNLWGFJDSIMINB-NWDGAFQWSA-N 0 0 316.367 3.381 20 10 DGCDRN COc1ccc(CNC(=O)N[C@H](C)c2ccc(C)s2)c(O)c1 ZINC000792898131 660992364 /nfs/dbraw/zinc/99/23/64/660992364.db2.gz HGWKJNWCTNEGSS-LLVKDONJSA-N 0 0 320.414 3.331 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)C[C@H]2CCCOC2)C2CC2)cc1 ZINC000792985988 660998892 /nfs/dbraw/zinc/99/88/92/660998892.db2.gz OJCCXJOYGRAUIF-MRXNPFEDSA-N 0 0 316.445 3.060 20 10 DGCDRN Cc1cc(CNCc2ccc(N(C)C)cc2C(F)(F)F)on1 ZINC000793044168 661001947 /nfs/dbraw/zinc/00/19/47/661001947.db2.gz FMYHZFWBJUHLSX-UHFFFAOYSA-N 0 0 313.323 3.358 20 10 DGCDRN CC[C@H](C)[C@@H](OC)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000793245225 661017267 /nfs/dbraw/zinc/01/72/67/661017267.db2.gz KFPNELJLELJIHU-WMLDXEAASA-N 0 0 306.450 3.162 20 10 DGCDRN CC[C@@H](C)[C@H](OC)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000793241374 661016814 /nfs/dbraw/zinc/01/68/14/661016814.db2.gz NIKSZCCKMRFGAX-QAPCUYQASA-N 0 0 318.461 3.354 20 10 DGCDRN CC[C@H](C)[C@H](OC)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000793241377 661016875 /nfs/dbraw/zinc/01/68/75/661016875.db2.gz NIKSZCCKMRFGAX-YJBOKZPZSA-N 0 0 318.461 3.354 20 10 DGCDRN COc1cc(NCc2cc(F)ccc2O)cc(-n2cccn2)c1 ZINC000793269661 661019917 /nfs/dbraw/zinc/01/99/17/661019917.db2.gz NMDIFJWXLWXVCJ-UHFFFAOYSA-N 0 0 313.332 3.338 20 10 DGCDRN CCNC(=O)N(C)c1cccc(NCc2cc(C)ccc2O)c1 ZINC000793316825 661023718 /nfs/dbraw/zinc/02/37/18/661023718.db2.gz GXMJXRWOUIGIFD-UHFFFAOYSA-N 0 0 313.401 3.478 20 10 DGCDRN COCCC1([NH2+]Cc2cccc(Br)c2[O-])CCC1 ZINC000793330391 661025174 /nfs/dbraw/zinc/02/51/74/661025174.db2.gz XUJYGPILKHJURA-UHFFFAOYSA-N 0 0 314.223 3.204 20 10 DGCDRN COc1c([O-])c(C[N@H+](CC2CC2)CC2CCC2)ccc1[N+](=O)[O-] ZINC000793390897 661029557 /nfs/dbraw/zinc/02/95/57/661029557.db2.gz UKQMZQTVPJZKHT-UHFFFAOYSA-N 0 0 320.389 3.321 20 10 DGCDRN COc1c(N[C@H](C)c2ccccc2O)cc(Cl)cc1C(N)=O ZINC000793577775 661047472 /nfs/dbraw/zinc/04/74/72/661047472.db2.gz WCOLNCXHLMLJRP-SECBINFHSA-N 0 0 320.776 3.326 20 10 DGCDRN COc1c(N[C@@H](C)c2ccccc2O)cc(Cl)cc1C(N)=O ZINC000793577777 661047495 /nfs/dbraw/zinc/04/74/95/661047495.db2.gz WCOLNCXHLMLJRP-VIFPVBQESA-N 0 0 320.776 3.326 20 10 DGCDRN CSCCONC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC000794193153 661071474 /nfs/dbraw/zinc/07/14/74/661071474.db2.gz ZEUQOXYSHWYISA-UHFFFAOYSA-N 0 0 318.442 3.427 20 10 DGCDRN COc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)c(C)cc1C ZINC000794365425 661080992 /nfs/dbraw/zinc/08/09/92/661080992.db2.gz MIQRCIHCUJARLI-ALCCZGGFSA-N 0 0 313.353 3.375 20 10 DGCDRN COc1ccc(CNC(=O)[C@H](C)c2c(F)cccc2F)c(O)c1 ZINC000794376037 661081321 /nfs/dbraw/zinc/08/13/21/661081321.db2.gz AVMWHMWQYSSQQU-SNVBAGLBSA-N 0 0 321.323 3.099 20 10 DGCDRN COc1ccc(CNC(=O)Cc2ccc(C)cc2Cl)c(O)c1 ZINC000794378327 661081764 /nfs/dbraw/zinc/08/17/64/661081764.db2.gz UXKGNAPDCHXNFW-UHFFFAOYSA-N 0 0 319.788 3.222 20 10 DGCDRN COc1ccc(CNC(=O)c2cccc3ccccc32)c(O)c1 ZINC000794377330 661081948 /nfs/dbraw/zinc/08/19/48/661081948.db2.gz RWHIYURORROTBT-UHFFFAOYSA-N 0 0 307.349 3.484 20 10 DGCDRN COc1ccc(CNC(=O)c2cc3cccc(C)c3o2)c(O)c1 ZINC000794382770 661082091 /nfs/dbraw/zinc/08/20/91/661082091.db2.gz HTVIWROGNJUAEI-UHFFFAOYSA-N 0 0 311.337 3.385 20 10 DGCDRN CC[C@@H]1CCCC[C@@H]1OCC(=O)NCc1ccc(OC)cc1O ZINC000794387280 661082098 /nfs/dbraw/zinc/08/20/98/661082098.db2.gz HTERYFSMTQJJLC-DYVFJYSZSA-N 0 0 321.417 3.002 20 10 DGCDRN COc1ccc(CNC(=O)CCSc2ccccc2)c(O)c1 ZINC000794382299 661082176 /nfs/dbraw/zinc/08/21/76/661082176.db2.gz UWLNVQLJNSIMMS-UHFFFAOYSA-N 0 0 317.410 3.199 20 10 DGCDRN COc1ccc(CNC(=O)[C@@H](c2ccccc2)C(C)C)c(O)c1 ZINC000794382084 661082253 /nfs/dbraw/zinc/08/22/53/661082253.db2.gz XLYVTEWLADYIBY-GOSISDBHSA-N 0 0 313.397 3.457 20 10 DGCDRN COc1ccc(CNC(=O)CCc2cc(C)cc(C)c2)c(O)c1 ZINC000794390752 661082482 /nfs/dbraw/zinc/08/24/82/661082482.db2.gz PZZRSCPURFYPNZ-UHFFFAOYSA-N 0 0 313.397 3.267 20 10 DGCDRN COc1ccc(CNC(=O)c2ccc(OC(C)C)cc2)c(O)c1 ZINC000794389271 661082506 /nfs/dbraw/zinc/08/25/06/661082506.db2.gz KBEJRXFSGKIDNY-UHFFFAOYSA-N 0 0 315.369 3.118 20 10 DGCDRN COc1ccc(CNC(=O)/C=C\c2ccccc2Cl)c(O)c1 ZINC000794389429 661082561 /nfs/dbraw/zinc/08/25/61/661082561.db2.gz NTYXCYGEQUZJHV-CLFYSBASSA-N 0 0 317.772 3.384 20 10 DGCDRN CCc1ccc(NC(=O)NCc2ccc(OC)cc2O)cc1 ZINC000794760740 661104290 /nfs/dbraw/zinc/10/42/90/661104290.db2.gz WNFHEUQVZMOYBT-UHFFFAOYSA-N 0 0 300.358 3.285 20 10 DGCDRN COc1ccc(CNC(=O)Nc2cc(C)cc(C)c2)c(O)c1 ZINC000794762295 661104420 /nfs/dbraw/zinc/10/44/20/661104420.db2.gz RYJDCDBAQJNIOD-UHFFFAOYSA-N 0 0 300.358 3.339 20 10 DGCDRN COc1cccc(CNc2ncnc3scc(C)c32)c1O ZINC000794784060 661104901 /nfs/dbraw/zinc/10/49/01/661104901.db2.gz SFHLUMIRMHOWPO-UHFFFAOYSA-N 0 0 301.371 3.326 20 10 DGCDRN COc1ccc(O)c(CNc2ncnc3scc(C)c32)c1 ZINC000794783344 661104950 /nfs/dbraw/zinc/10/49/50/661104950.db2.gz MCQNIMCWLGUNCH-UHFFFAOYSA-N 0 0 301.371 3.326 20 10 DGCDRN CN(C)c1ccc(CNc2ccncc2F)c(C(F)(F)F)c1 ZINC000794943721 661115632 /nfs/dbraw/zinc/11/56/32/661115632.db2.gz OATVDISMVSTLEI-UHFFFAOYSA-N 0 0 313.298 3.340 20 10 DGCDRN CCc1ccc(NC(=S)NCc2ccc(OC)cc2O)cc1 ZINC000795030486 661122808 /nfs/dbraw/zinc/12/28/08/661122808.db2.gz BGOFMBSTZOFEOG-UHFFFAOYSA-N 0 0 316.426 3.450 20 10 DGCDRN CN(C)c1ccc(CN2C[C@H](C(F)(F)F)OC(C)(C)C2)cc1 ZINC000795063295 661125091 /nfs/dbraw/zinc/12/50/91/661125091.db2.gz BYENFSUDGKSDNM-CQSZACIVSA-N 0 0 316.367 3.294 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCC(F)(F)C1 ZINC000795138261 661129113 /nfs/dbraw/zinc/12/91/13/661129113.db2.gz YKMKMYIVCPKFMA-GFCCVEGCSA-N 0 0 309.356 3.323 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000175507203 655580350 /nfs/dbraw/zinc/58/03/50/655580350.db2.gz WAMWPYAJUJXZTO-DZGCQCFKSA-N 0 0 317.335 3.433 20 10 DGCDRN CC(C)n1ccc(NCc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000795589099 661162253 /nfs/dbraw/zinc/16/22/53/661162253.db2.gz WNKHRJGELGRZAY-UHFFFAOYSA-N 0 0 318.396 3.052 20 10 DGCDRN COc1cccc(/C(C)=C\C(=O)N(C)Cc2ccccc2O)c1 ZINC000255080859 655595238 /nfs/dbraw/zinc/59/52/38/655595238.db2.gz JYXZRKPHCDEWTR-KAMYIIQDSA-N 0 0 311.381 3.463 20 10 DGCDRN C[C@@H]([NH3+])[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000070171694 655604444 /nfs/dbraw/zinc/60/44/44/655604444.db2.gz GFXMCEMVCDTXPZ-ZJUUUORDSA-N 0 0 303.233 3.258 20 10 DGCDRN COc1ccc(CN[C@H]([C@H]2CCOC2)C(F)(F)F)cc1C ZINC000933004318 655670010 /nfs/dbraw/zinc/67/00/10/655670010.db2.gz UKADAVBMXKYADI-GXTWGEPZSA-N 0 0 303.324 3.061 20 10 DGCDRN COC[C@H]1CCCC[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000307778919 655671558 /nfs/dbraw/zinc/67/15/58/655671558.db2.gz OUJXWSSVBLNNJJ-GFCCVEGCSA-N 0 0 314.223 3.156 20 10 DGCDRN O=C(/C=C\c1cncc(F)c1)N1CCCc2cccc(F)c21 ZINC000255309723 655697471 /nfs/dbraw/zinc/69/74/71/655697471.db2.gz QVPVSWKAMFCPIT-SREVYHEPSA-N 0 0 300.308 3.352 20 10 DGCDRN COC(=O)c1cnoc1CN(CC(C)C)c1ccc(OC)cc1 ZINC000795950627 661181613 /nfs/dbraw/zinc/18/16/13/661181613.db2.gz LEAWSKRIAFCTJZ-UHFFFAOYSA-N 0 0 318.373 3.132 20 10 DGCDRN Cc1cc(C(=O)OCCOC(C)C)c(C)n1-c1ccccn1 ZINC000120090378 655778453 /nfs/dbraw/zinc/77/84/53/655778453.db2.gz RRPHNLODGPCDDY-UHFFFAOYSA-N 0 0 302.374 3.071 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@H](C)c2c(F)cccc2F)c1 ZINC000158446529 655781655 /nfs/dbraw/zinc/78/16/55/655781655.db2.gz MQMISDXERNCTEO-SNVBAGLBSA-N 0 0 321.323 3.099 20 10 DGCDRN Cc1ccccc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000065560698 655784740 /nfs/dbraw/zinc/78/47/40/655784740.db2.gz IIMYUWQKYBVIKG-INIZCTEOSA-N 0 0 324.424 3.323 20 10 DGCDRN Cc1nc(C2(NCc3ccc(N(C)C)cc3)CCCC2)no1 ZINC000161366423 655789548 /nfs/dbraw/zinc/78/95/48/655789548.db2.gz WNOLQJHTGDZJLJ-UHFFFAOYSA-N 0 0 300.406 3.003 20 10 DGCDRN Cc1cc(C(=O)N(C)CC(F)(F)F)c(C)n1-c1ccccn1 ZINC000065641045 655832125 /nfs/dbraw/zinc/83/21/25/655832125.db2.gz UJKMBEKZVFWLLZ-UHFFFAOYSA-N 0 0 311.307 3.123 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2c(F)cccc2Cl)c1 ZINC000176810641 655839696 /nfs/dbraw/zinc/83/96/96/655839696.db2.gz QMJHKPTWSHMCAV-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(OC)cc1 ZINC000052851223 655845286 /nfs/dbraw/zinc/84/52/86/655845286.db2.gz NHJPYDHAEACMDB-UHFFFAOYSA-N 0 0 312.413 3.424 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1cccnc1 ZINC000052851405 655845509 /nfs/dbraw/zinc/84/55/09/655845509.db2.gz JIQOGRKBTGXCCE-UHFFFAOYSA-N 0 0 311.429 3.129 20 10 DGCDRN CC(=O)Nc1cccc(NC(=O)[C@@H](C)Sc2nccs2)c1 ZINC000052914315 655846689 /nfs/dbraw/zinc/84/66/89/655846689.db2.gz JLIKZFBPNBNCFP-SECBINFHSA-N 0 0 321.427 3.221 20 10 DGCDRN CCCCC[C@H](C)NC(=O)CN(C)c1ccc(OC)c(OC)c1 ZINC000064517388 655859579 /nfs/dbraw/zinc/85/95/79/655859579.db2.gz IDCAPPJGTUEIRY-AWEZNQCLSA-N 0 0 322.449 3.225 20 10 DGCDRN COc1ccc(N2CCN(C/C(Cl)=C\Cl)CC2)cc1F ZINC000255615123 655872205 /nfs/dbraw/zinc/87/22/05/655872205.db2.gz HHBVVSZVZPQJEA-PKNBQFBNSA-N 0 0 319.207 3.275 20 10 DGCDRN COc1ccc(NC(=O)c2ccc(C)c(O)c2O)c2cccnc12 ZINC000179451151 655893102 /nfs/dbraw/zinc/89/31/02/655893102.db2.gz SHFBOTCWABHSOF-UHFFFAOYSA-N 0 0 324.336 3.215 20 10 DGCDRN CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccccc1O ZINC000179553346 655908763 /nfs/dbraw/zinc/90/87/63/655908763.db2.gz FPMNNRRXYANDBB-UHFFFAOYSA-N 0 0 316.376 3.380 20 10 DGCDRN NC(=O)CCNC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255867420 655920693 /nfs/dbraw/zinc/92/06/93/655920693.db2.gz OTQBFBADBZKTKJ-UHFFFAOYSA-N 0 0 311.345 3.099 20 10 DGCDRN CCC1(CNC(=O)N[C@@H](C)c2cc(OC)ccc2O)CCC1 ZINC000177385751 655923560 /nfs/dbraw/zinc/92/35/60/655923560.db2.gz XSXREPQJNKIMAS-LBPRGKRZSA-N 0 0 306.406 3.341 20 10 DGCDRN Cc1cc(Br)ccc1C=C1SC(=S)NC1=O ZINC000177529012 655930233 /nfs/dbraw/zinc/93/02/33/655930233.db2.gz YPEZFHICICIEMV-UITAMQMPSA-N 0 0 314.229 3.246 20 10 DGCDRN O=C(/C=C\c1cncc(F)c1)N1CCCc2ccc(F)cc21 ZINC000255891132 655957753 /nfs/dbraw/zinc/95/77/53/655957753.db2.gz WDFHCKXYLARMJN-UTCJRWHESA-N 0 0 300.308 3.352 20 10 DGCDRN C[C@@H]1C[C@@H](C)CN(C(=O)COc2ccc(N3CCCC3)cc2)C1 ZINC000178194513 655959324 /nfs/dbraw/zinc/95/93/24/655959324.db2.gz BJCYHLKVKVCCON-HZPDHXFCSA-N 0 0 316.445 3.170 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C)CCOC)cc1 ZINC000725868792 656016541 /nfs/dbraw/zinc/01/65/41/656016541.db2.gz YWKDSOKUSAOIEQ-OAHLLOKOSA-N 0 0 321.465 3.099 20 10 DGCDRN CC(F)(F)CC[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715804691 661215043 /nfs/dbraw/zinc/21/50/43/661215043.db2.gz RAKSNQGQMWJWNZ-UHFFFAOYSA-N 0 0 312.129 3.429 20 10 DGCDRN CCC(=O)Nc1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000182074950 656102562 /nfs/dbraw/zinc/10/25/62/656102562.db2.gz UQWVEKBEJVVRIJ-UHFFFAOYSA-N 0 0 314.341 3.007 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1ccc(F)cc1[O-] ZINC000186094669 656130170 /nfs/dbraw/zinc/13/01/70/656130170.db2.gz YBUVGPXLCIWQDP-MQJDWESPSA-N 0 0 307.390 3.120 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H](C)OCC2CC2)cc1F ZINC000066841144 656146779 /nfs/dbraw/zinc/14/67/79/656146779.db2.gz WDYPZKXOBZUJAU-ZDUSSCGKSA-N 0 0 322.424 3.103 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cccnc2C)cc1F ZINC000066841221 656147042 /nfs/dbraw/zinc/14/70/42/656147042.db2.gz RZTSVKFUWJHSKG-UHFFFAOYSA-N 0 0 315.392 3.305 20 10 DGCDRN Cc1ccc(C=C2SC(=S)NC2=O)cc1Br ZINC000162478537 656155008 /nfs/dbraw/zinc/15/50/08/656155008.db2.gz YZGDKPWWXYDCAY-WEVVVXLNSA-N 0 0 314.229 3.246 20 10 DGCDRN COCCOc1ccc(Sc2ncc([N+](=O)[O-])s2)cc1 ZINC000192534657 656179453 /nfs/dbraw/zinc/17/94/53/656179453.db2.gz RYDARWWEABNWLW-UHFFFAOYSA-N 0 0 312.372 3.228 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NCc2ccco2)cc1F ZINC000066906964 656361475 /nfs/dbraw/zinc/36/14/75/656361475.db2.gz OZUPXPGEBSFKQV-UHFFFAOYSA-N 0 0 319.380 3.264 20 10 DGCDRN C[C@@H](Nc1ccc2c(c1)NC(=O)CO2)c1ccc(N(C)C)cc1 ZINC000319655186 656545327 /nfs/dbraw/zinc/54/53/27/656545327.db2.gz BDAPIAHXKKTHQI-GFCCVEGCSA-N 0 0 311.385 3.257 20 10 DGCDRN CCC(=O)Nc1ccc(C)c(NC(=O)Cc2ccc(N)cc2)c1 ZINC000236807555 656582636 /nfs/dbraw/zinc/58/26/36/656582636.db2.gz QIHUSUCHJXGIDT-UHFFFAOYSA-N 0 0 311.385 3.107 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CC=CCC1 ZINC000074333087 661281249 /nfs/dbraw/zinc/28/12/49/661281249.db2.gz LYZYXYVHIBCBKS-CQSZACIVSA-N 0 0 300.402 3.179 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1csc(C)n1 ZINC000070899908 656664786 /nfs/dbraw/zinc/66/47/86/656664786.db2.gz OSABZEKGWPXCNK-UHFFFAOYSA-N 0 0 317.458 3.109 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1cccnc1 ZINC000054125885 656862857 /nfs/dbraw/zinc/86/28/57/656862857.db2.gz CKGWGNRXQODPOY-UHFFFAOYSA-N 0 0 311.410 3.481 20 10 DGCDRN O=C(NCc1ccccc1O)c1cccc(OC(F)(F)F)c1 ZINC000318950391 656870974 /nfs/dbraw/zinc/87/09/74/656870974.db2.gz XLLMBMGWKHZDLR-UHFFFAOYSA-N 0 0 311.259 3.221 20 10 DGCDRN CCNC(=O)c1cccc(NCc2cccc(OCC)c2O)c1 ZINC000236973559 657027460 /nfs/dbraw/zinc/02/74/60/657027460.db2.gz UCRBTUFOHROBSN-UHFFFAOYSA-N 0 0 314.385 3.153 20 10 DGCDRN C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1cc(F)ccc1O ZINC000248487060 657029313 /nfs/dbraw/zinc/02/93/13/657029313.db2.gz FWZQUXSFTPKREJ-HZSPNIEDSA-N 0 0 324.440 3.070 20 10 DGCDRN Cc1nc(C)c(C(=O)NCc2ccc(N3CCCC3)cc2)s1 ZINC000028333204 657061681 /nfs/dbraw/zinc/06/16/81/657061681.db2.gz UFFXXGIHRVTVOL-UHFFFAOYSA-N 0 0 315.442 3.290 20 10 DGCDRN Cn1c2cc(F)ccc2nc1-c1ccc(N2CCOCC2)cc1 ZINC000178976267 657377359 /nfs/dbraw/zinc/37/73/59/657377359.db2.gz XCUPSMBIQDPYJA-UHFFFAOYSA-N 0 0 311.360 3.216 20 10 DGCDRN C[C@@H]1CCc2c(C(=O)NCCc3ccc(N)cc3)csc2C1 ZINC000237437483 657585246 /nfs/dbraw/zinc/58/52/46/657585246.db2.gz BGHPGGZFPDZRLT-GFCCVEGCSA-N 0 0 314.454 3.428 20 10 DGCDRN O=C(CSc1nccs1)N1CCSc2ccccc21 ZINC000127244661 657700675 /nfs/dbraw/zinc/70/06/75/657700675.db2.gz IICGTTUPXGMRHG-UHFFFAOYSA-N 0 0 308.453 3.374 20 10 DGCDRN C[C@@H](Nc1cnn(CCO)c1)c1ccc(N2CCCCC2)cc1 ZINC000305832300 658068441 /nfs/dbraw/zinc/06/84/41/658068441.db2.gz OXBHQIAQWNENRS-OAHLLOKOSA-N 0 0 314.433 3.039 20 10 DGCDRN C[C@@H](Nc1cccc(N2CCNC2=O)c1)c1cc(F)ccc1O ZINC000321873087 658359958 /nfs/dbraw/zinc/35/99/58/658359958.db2.gz OSSKALKSIJNVHT-LLVKDONJSA-N 0 0 315.348 3.234 20 10 DGCDRN C[C@@H](NCc1ccc2c(c1)CCO2)c1nc(C(C)(C)C)no1 ZINC000237443631 658395534 /nfs/dbraw/zinc/39/55/34/658395534.db2.gz HSBHMBMBRYOOIJ-LLVKDONJSA-N 0 0 301.390 3.153 20 10 DGCDRN CCCCOCC[NH2+]Cc1cccc(Br)c1[O-] ZINC000042412595 658773908 /nfs/dbraw/zinc/77/39/08/658773908.db2.gz RNQALTICDUWOMA-UHFFFAOYSA-N 0 0 302.212 3.061 20 10 DGCDRN Cc1csc(C[NH2+]Cc2cccc(Br)c2[O-])n1 ZINC000042412577 658774294 /nfs/dbraw/zinc/77/42/94/658774294.db2.gz UUWZOWPSOTUNNG-UHFFFAOYSA-N 0 0 313.220 3.209 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Cc2cccc3cccnc32)cc1 ZINC000054811873 658896451 /nfs/dbraw/zinc/89/64/51/658896451.db2.gz OOTWYUCUFITCBH-UHFFFAOYSA-N 0 0 319.408 3.160 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NCc2ccco2)cc1 ZINC000055328870 658922426 /nfs/dbraw/zinc/92/24/26/658922426.db2.gz QUDMSGMBAHQMNO-UHFFFAOYSA-N 0 0 301.390 3.125 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCCCn1ccnc1 ZINC000045094642 658942865 /nfs/dbraw/zinc/94/28/65/658942865.db2.gz JCBFIIDJMBAOAV-UHFFFAOYSA-N 0 0 314.216 3.466 20 10 DGCDRN CN(C)C(=O)c1ccc(NCc2cccc(Cl)c2O)cc1 ZINC000164956578 658959353 /nfs/dbraw/zinc/95/93/53/658959353.db2.gz QKOZDGANCKTVLY-UHFFFAOYSA-N 0 0 304.777 3.360 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000056736570 658986947 /nfs/dbraw/zinc/98/69/47/658986947.db2.gz RPGBTGDZACRJES-UHFFFAOYSA-N 0 0 320.418 3.205 20 10 DGCDRN C/C(=C\C(=O)NCc1ccc(N2CCSCC2)cc1)C1CC1 ZINC000058455812 659080976 /nfs/dbraw/zinc/08/09/76/659080976.db2.gz XBMYPPFAYZWJBW-WYMLVPIESA-N 0 0 316.470 3.212 20 10 DGCDRN CN1CCCc2cc(CNC(=O)NCc3ccccc3)ccc21 ZINC000058516790 659085650 /nfs/dbraw/zinc/08/56/50/659085650.db2.gz BSIIWEAQGQIXJN-UHFFFAOYSA-N 0 0 309.413 3.068 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(F)(F)C(F)F ZINC000226617467 659127969 /nfs/dbraw/zinc/12/79/69/659127969.db2.gz DCSZNYAGNMSCOY-UHFFFAOYSA-N 0 0 306.303 3.002 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2cc(F)ccc2F)cc1 ZINC000060780902 659201696 /nfs/dbraw/zinc/20/16/96/659201696.db2.gz QLGHUDNQXLYCML-UHFFFAOYSA-N 0 0 304.340 3.303 20 10 DGCDRN O=C1NC(=S)S/C1=C\c1cnc(-c2ccccc2)s1 ZINC000171157402 659263895 /nfs/dbraw/zinc/26/38/95/659263895.db2.gz NBUQNXCJHNTBCQ-POHAHGRESA-N 0 0 304.421 3.299 20 10 DGCDRN CN1C(=O)/C(=C\c2cccc(OC(F)(F)F)c2)SC1=S ZINC000171194532 659266411 /nfs/dbraw/zinc/26/64/11/659266411.db2.gz LVFSWWNIBPCNOM-RMKNXTFCSA-N 0 0 319.329 3.416 20 10 DGCDRN COc1cccc(CNC(=O)NCc2ccc(Cl)cc2)c1O ZINC000171639224 659292862 /nfs/dbraw/zinc/29/28/62/659292862.db2.gz IHRYYSDSTAXCDG-UHFFFAOYSA-N 0 0 320.776 3.054 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2COc3ccccc32)cc1 ZINC000172002856 659309323 /nfs/dbraw/zinc/30/93/23/659309323.db2.gz LTSRFIDVQMTMDR-GOSISDBHSA-N 0 0 324.424 3.325 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2nc(C3CC3)cs2)c1 ZINC000172019428 659311112 /nfs/dbraw/zinc/31/11/12/659311112.db2.gz WVVYRBUCFXSBDQ-UHFFFAOYSA-N 0 0 319.386 3.056 20 10 DGCDRN COc1ccc(C)c2c1N(C(=O)/C=C/c1cccnc1)CCC2 ZINC000067843191 659317626 /nfs/dbraw/zinc/31/76/26/659317626.db2.gz MMZWGGWLWFVJIV-CSKARUKUSA-N 0 0 308.381 3.391 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NC2C[C@@H](C)C[C@H](C)C2)c1 ZINC000172491288 659339792 /nfs/dbraw/zinc/33/97/92/659339792.db2.gz GIPBPNXWJCMCEB-RYUDHWBXSA-N 0 0 306.406 3.025 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(C)cc(F)c2)c1 ZINC000173130837 659373631 /nfs/dbraw/zinc/37/36/31/659373631.db2.gz VCFSOBAQCFHTHN-NSHDSACASA-N 0 0 303.333 3.339 20 10 DGCDRN CCCCCCOCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173202677 659376828 /nfs/dbraw/zinc/37/68/28/659376828.db2.gz OJYZEVNQXYFTQQ-UHFFFAOYSA-N 0 0 320.433 3.075 20 10 DGCDRN CCC[C@H](CCO)C[NH2+]Cc1cccc(Br)c1[O-] ZINC000231386895 659380663 /nfs/dbraw/zinc/38/06/63/659380663.db2.gz WXQPCFRUMSYZAZ-LLVKDONJSA-N 0 0 316.239 3.043 20 10 DGCDRN C[C@H]1CCC[N@@H+]1Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000173523372 659390701 /nfs/dbraw/zinc/39/07/01/659390701.db2.gz HNEQSEMKHYJQLK-ZDUSSCGKSA-N 0 0 311.381 3.313 20 10 DGCDRN COC(=O)c1ccc(CN(C)c2ccc(OC)c(OC)c2)cc1 ZINC000067984597 659933593 /nfs/dbraw/zinc/93/35/93/659933593.db2.gz ODLGZSACZWYQHI-UHFFFAOYSA-N 0 0 315.369 3.127 20 10 DGCDRN CCOC(=O)CN(Cc1ccccc1)Cc1cccc(C)c1O ZINC000179666734 659937857 /nfs/dbraw/zinc/93/78/57/659937857.db2.gz IYKYNLZAQQDARE-UHFFFAOYSA-N 0 0 313.397 3.266 20 10 DGCDRN COc1cccc(CNC(=O)c2cc3ccccc3cc2O)c1O ZINC000068488696 659954608 /nfs/dbraw/zinc/95/46/08/659954608.db2.gz XWDIJBQIAAXFOZ-UHFFFAOYSA-N 0 0 323.348 3.190 20 10 DGCDRN CCCCN(C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000068549091 659957048 /nfs/dbraw/zinc/95/70/48/659957048.db2.gz ZFLJHTFNNCFEOV-HNNXBMFYSA-N 0 0 319.449 3.026 20 10 DGCDRN Nc1ccc(CC(=O)N[C@@H](c2ccccc2)C(F)(F)F)cc1 ZINC000238117447 659959222 /nfs/dbraw/zinc/95/92/22/659959222.db2.gz OOPXHRMMUNYIMS-HNNXBMFYSA-N 0 0 308.303 3.231 20 10 DGCDRN CCN(C(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000180624415 659966156 /nfs/dbraw/zinc/96/61/56/659966156.db2.gz ORZFOKDRAUJNBH-ONNFQVAWSA-N 0 0 301.317 3.303 20 10 DGCDRN CCCc1csc(NC(=O)NCc2ccc(N(C)C)cc2)n1 ZINC000180676219 659967331 /nfs/dbraw/zinc/96/73/31/659967331.db2.gz WBTHVJGZMOVVJF-UHFFFAOYSA-N 0 0 318.446 3.483 20 10 DGCDRN CCCc1csc(NC(=O)NCc2cccc(OC)c2O)n1 ZINC000180670488 659967893 /nfs/dbraw/zinc/96/78/93/659967893.db2.gz WOFYUEVPIWWGIC-UHFFFAOYSA-N 0 0 321.402 3.132 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1ccncc1Cl ZINC000181131453 659981968 /nfs/dbraw/zinc/98/19/68/659981968.db2.gz YQSNGJCPPWKDRE-UHFFFAOYSA-N 0 0 303.793 3.200 20 10 DGCDRN Cc1ccc(C(=O)Nc2cccc(-c3ncc[nH]3)c2)c(O)c1O ZINC000182337078 660044786 /nfs/dbraw/zinc/04/47/86/660044786.db2.gz VKMBILMYNWOKMQ-UHFFFAOYSA-N 0 0 309.325 3.049 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NCc2nc(CCC(C)C)no2)c1 ZINC000182367805 660048202 /nfs/dbraw/zinc/04/82/02/660048202.db2.gz DOJDCKBTJNQAPI-GFCCVEGCSA-N 0 0 319.405 3.223 20 10 DGCDRN COC(=O)COc1ccc(N(C)Cc2cccc3[nH]ccc32)cc1 ZINC000183227444 660105685 /nfs/dbraw/zinc/10/56/85/660105685.db2.gz ZDWLECNPDVJZNJ-UHFFFAOYSA-N 0 0 324.380 3.356 20 10 DGCDRN C[C@@H](Nc1ccn(CCc2ccncc2)n1)c1ccccc1O ZINC000183663519 660130206 /nfs/dbraw/zinc/13/02/06/660130206.db2.gz KKOABXAZAUQWJK-CQSZACIVSA-N 0 0 308.385 3.400 20 10 DGCDRN COc1ccc2c(c1)CCCCN2Cc1noc2c1COCC2 ZINC000930141470 661370510 /nfs/dbraw/zinc/37/05/10/661370510.db2.gz BNDWLEYDPMIDSC-UHFFFAOYSA-N 0 0 314.385 3.099 20 10 DGCDRN CCn1nc(NC(=O)N2Cc3cccc(O)c3C2)cc1C1CC1 ZINC000930274183 661383637 /nfs/dbraw/zinc/38/36/37/661383637.db2.gz VNCPREFEEZEJKI-UHFFFAOYSA-N 0 0 312.373 3.034 20 10 DGCDRN CCc1noc(C)c1NC(=O)NCc1cccc(Cl)c1O ZINC000930545136 661409291 /nfs/dbraw/zinc/40/92/91/661409291.db2.gz IDIUMCWHACTSHB-UHFFFAOYSA-N 0 0 309.753 3.226 20 10 DGCDRN C[C@@H](C1CC1)n1nccc1NC(=O)NCc1c(O)cccc1F ZINC000930919143 661438769 /nfs/dbraw/zinc/43/87/69/661438769.db2.gz HUVRSXOKWBATMH-JTQLQIEISA-N 0 0 318.352 3.021 20 10 DGCDRN CC[C@@H](C)n1ncc(NC(=O)N2Cc3cccc(O)c3C2)c1C ZINC000931069218 661449306 /nfs/dbraw/zinc/44/93/06/661449306.db2.gz CSTQKRHATNRLEA-LLVKDONJSA-N 0 0 314.389 3.416 20 10 DGCDRN C[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)c1cccc(O)c1 ZINC000931152634 661457083 /nfs/dbraw/zinc/45/70/83/661457083.db2.gz VDTCZRXYGLFSTL-AWEZNQCLSA-N 0 0 324.424 3.195 20 10 DGCDRN C[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)c1cccc(O)c1 ZINC000931152635 661457267 /nfs/dbraw/zinc/45/72/67/661457267.db2.gz VDTCZRXYGLFSTL-CQSZACIVSA-N 0 0 324.424 3.195 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000931260814 661462471 /nfs/dbraw/zinc/46/24/71/661462471.db2.gz CXSBTWOCNYSWCO-XYLWRLHESA-N 0 0 304.346 3.017 20 10 DGCDRN COC(=O)/C=C/c1ccc(N(C)[C@H](C)C2CC2)c([N+](=O)[O-])c1 ZINC000931454112 661477966 /nfs/dbraw/zinc/47/79/66/661477966.db2.gz QUNDFIWRUGLCRG-FZPLPXEFSA-N 0 0 304.346 3.016 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)CCC3(C)CC3)CC2)cc1 ZINC000931577979 661490241 /nfs/dbraw/zinc/49/02/41/661490241.db2.gz HBKXCUBKWPLBLA-UHFFFAOYSA-N 0 0 316.445 3.361 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)c1cccc(O)c1 ZINC000932943785 661611219 /nfs/dbraw/zinc/61/12/19/661611219.db2.gz OOFRFWHNHRKSFM-CQSZACIVSA-N 0 0 312.413 3.187 20 10 DGCDRN C[C@@H](NC(=O)N[C@@](C)(C1CC1)C(F)(F)F)c1ccccc1O ZINC000933562627 661641147 /nfs/dbraw/zinc/64/11/47/661641147.db2.gz DDVCIDBTRPCTSN-OTYXRUKQSA-N 0 0 316.323 3.483 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCOC23CCCC3)c1[O-] ZINC000934394248 661704086 /nfs/dbraw/zinc/70/40/86/661704086.db2.gz FNCSMEOVBZNPBF-OAHLLOKOSA-N 0 0 323.820 3.440 20 10 DGCDRN COc1cccc(CNC(=O)N[C@@H](C)C2CCCCC2)c1O ZINC000074505321 661746670 /nfs/dbraw/zinc/74/66/70/661746670.db2.gz PGNRUXXEHAAREZ-LBPRGKRZSA-N 0 0 306.406 3.169 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)c2cccc(O)c2)c1 ZINC000934941018 661750427 /nfs/dbraw/zinc/75/04/27/661750427.db2.gz VDGQBASLCOBBCW-NWDGAFQWSA-N 0 0 315.369 3.087 20 10 DGCDRN Cc1ccccc1[C@H](C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000935310111 661775812 /nfs/dbraw/zinc/77/58/12/661775812.db2.gz IGOGGGXXUCVQSP-KBPBESRZSA-N 0 0 313.397 3.257 20 10 DGCDRN Cc1ccccc1[C@H](C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000935310112 661775905 /nfs/dbraw/zinc/77/59/05/661775905.db2.gz IGOGGGXXUCVQSP-KGLIPLIRSA-N 0 0 313.397 3.257 20 10 DGCDRN CCCc1ccccc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000935311950 661776133 /nfs/dbraw/zinc/77/61/33/661776133.db2.gz SZQXTCZNQYVCNX-ZDUSSCGKSA-N 0 0 313.397 3.411 20 10 DGCDRN COc1ccc(CNC(=O)c2ccccc2C2(C)CC2)c(O)c1 ZINC000935770913 661809147 /nfs/dbraw/zinc/80/91/47/661809147.db2.gz LJGYNBOUDJEQDU-UHFFFAOYSA-N 0 0 311.381 3.382 20 10 DGCDRN C[C@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000155675568 661850799 /nfs/dbraw/zinc/85/07/99/661850799.db2.gz SXVONAICEMATHD-INIZCTEOSA-N 0 0 313.445 3.394 20 10 DGCDRN Cc1ccc(NC(=O)N(C)Cc2ccccc2O)cc1[N+](=O)[O-] ZINC000047323255 661875039 /nfs/dbraw/zinc/87/50/39/661875039.db2.gz GAHUVVMCFVQYKY-UHFFFAOYSA-N 0 0 315.329 3.273 20 10 DGCDRN O=C(Cc1ccccc1F)NCc1c(O)ccc2c1CCCC2 ZINC000075159921 661918082 /nfs/dbraw/zinc/91/80/82/661918082.db2.gz ZDFPREIUFUMTHA-UHFFFAOYSA-N 0 0 313.372 3.269 20 10 DGCDRN C/C=C(\CC)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000190147867 662021155 /nfs/dbraw/zinc/02/11/55/662021155.db2.gz PWFVMKOACHYYKP-CRKCGEKBSA-N 0 0 304.459 3.212 20 10 DGCDRN COc1ccc(N(C)CC2CCC3(CC2)OCCO3)c(OC)c1 ZINC000190308432 662027729 /nfs/dbraw/zinc/02/77/29/662027729.db2.gz MUAXVSSJTGDSFT-UHFFFAOYSA-N 0 0 321.417 3.073 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCOC(C)(C)C1 ZINC000077495225 662029170 /nfs/dbraw/zinc/02/91/70/662029170.db2.gz WRWMTZHESHTMLF-UHFFFAOYSA-N 0 0 318.442 3.407 20 10 DGCDRN CN(C)c1ccc(CNCc2nccn2-c2ccccc2)cc1 ZINC000190698301 662041234 /nfs/dbraw/zinc/04/12/34/662041234.db2.gz IQDVXXIKXQQDQX-UHFFFAOYSA-N 0 0 306.413 3.228 20 10 DGCDRN C[C@@H](Cc1ccccc1F)C(=O)NCc1ccc(N(C)C)cc1 ZINC000078041052 662050333 /nfs/dbraw/zinc/05/03/33/662050333.db2.gz CUXUXXRYKFZFTC-AWEZNQCLSA-N 0 0 314.404 3.387 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N(Cc2cccnc2)C2CC2)cc1 ZINC000078321534 662058869 /nfs/dbraw/zinc/05/88/69/662058869.db2.gz MUKVIGOKTPEKJS-UHFFFAOYSA-N 0 0 324.428 3.022 20 10 DGCDRN CC(C)Oc1ccc(N(C)CC(=O)Nc2cccc(C#N)c2)cc1 ZINC000191598682 662074057 /nfs/dbraw/zinc/07/40/57/662074057.db2.gz YOEIVVBSMVUWFY-UHFFFAOYSA-N 0 0 323.396 3.420 20 10 DGCDRN CCc1ccccc1OCC(=O)NCc1ccc(N(C)C)cc1 ZINC000078982414 662093696 /nfs/dbraw/zinc/09/36/96/662093696.db2.gz NXAPBWATESADBU-UHFFFAOYSA-N 0 0 312.413 3.010 20 10 DGCDRN O=C(NCCCSc1nccs1)c1coc(C2CCC2)n1 ZINC000192565012 662104995 /nfs/dbraw/zinc/10/49/95/662104995.db2.gz INTAGFFBECHDHY-UHFFFAOYSA-N 0 0 323.443 3.311 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cccc(F)c2Cl)cc1 ZINC000079333436 662106853 /nfs/dbraw/zinc/10/68/53/662106853.db2.gz AOSSNNWEXBGPLW-UHFFFAOYSA-N 0 0 306.768 3.475 20 10 DGCDRN OCCSc1ncc(-c2ccccc2)n1CC(F)(F)F ZINC000194575794 662169047 /nfs/dbraw/zinc/16/90/47/662169047.db2.gz VXLCSVUESJYFKI-UHFFFAOYSA-N 0 0 302.321 3.197 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2csc(C3CC3)n2)cc1 ZINC000194871552 662175083 /nfs/dbraw/zinc/17/50/83/662175083.db2.gz USTZTVZKGLLLRW-UHFFFAOYSA-N 0 0 315.442 3.359 20 10 DGCDRN CN(C)c1ccc2cc(NC(=O)/C=C/c3cccnc3)ccc2n1 ZINC000195072024 662177711 /nfs/dbraw/zinc/17/77/11/662177711.db2.gz LPZZHPOPPMSHHU-BJMVGYQFSA-N 0 0 318.380 3.348 20 10 DGCDRN Cn1nccc1CN1CCCc2cc(OC(F)(F)F)ccc21 ZINC000091072261 662291858 /nfs/dbraw/zinc/29/18/58/662291858.db2.gz YUGQBXYIPSRFMY-UHFFFAOYSA-N 0 0 311.307 3.272 20 10 DGCDRN CCCCCNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000065279030 685052972 /nfs/dbraw/zinc/05/29/72/685052972.db2.gz ZAKWJRUZNXXMEY-OAHLLOKOSA-N 0 0 319.449 3.074 20 10 DGCDRN CCCN1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000389394077 685193681 /nfs/dbraw/zinc/19/36/81/685193681.db2.gz OJXRDFSQZNXCCJ-LBPRGKRZSA-N 0 0 303.233 3.273 20 10 DGCDRN Nc1ccc(CCNC(=O)CCCc2c[nH]c3ccccc23)cc1 ZINC000392204205 685214191 /nfs/dbraw/zinc/21/41/91/685214191.db2.gz GLHCOZDRLMXHPZ-UHFFFAOYSA-N 0 0 321.424 3.432 20 10 DGCDRN COCCC(C)(C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000397930342 685232827 /nfs/dbraw/zinc/23/28/27/685232827.db2.gz UKXNIXMOXKXQMZ-UHFFFAOYSA-N 0 0 302.212 3.059 20 10 DGCDRN CC[C@@H](NCc1cocn1)c1cc(Br)ccc1O ZINC000397997557 685233867 /nfs/dbraw/zinc/23/38/67/685233867.db2.gz QZEUOUOTHJDEIH-GFCCVEGCSA-N 0 0 311.179 3.384 20 10 DGCDRN C[C@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000398187758 685235593 /nfs/dbraw/zinc/23/55/93/685235593.db2.gz YPNLTPUOXPBHOJ-KBXCAEBGSA-N 0 0 324.428 3.053 20 10 DGCDRN C[C@H]1C[C@H](NC(=O)Nc2ccc(N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000398187762 685235786 /nfs/dbraw/zinc/23/57/86/685235786.db2.gz YPNLTPUOXPBHOJ-KSSFIOAISA-N 0 0 324.428 3.053 20 10 DGCDRN C[C@@H]1CCC[C@@H](CNC(=O)NCCc2ccc(N)cc2)[C@H]1C ZINC001576676742 1191861579 /nfs/dbraw/zinc/86/15/79/1191861579.db2.gz DKTYKJHQEBHYGP-YCPHGPKFSA-N 0 0 303.450 3.183 20 10 DGCDRN CN(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1ccc(N)cc1 ZINC001578387470 1191941098 /nfs/dbraw/zinc/94/10/98/1191941098.db2.gz JZNCEQOAPXEHJX-UHFFFAOYSA-N 0 0 310.332 3.075 20 10 DGCDRN CN(C(=O)c1c[nH]nc1-c1ccccc1F)c1ccc(N)cc1 ZINC001578387760 1191941116 /nfs/dbraw/zinc/94/11/16/1191941116.db2.gz YNWLVMZFCDOWMN-UHFFFAOYSA-N 0 0 310.332 3.075 20 10 DGCDRN COCCOc1ccc(C(=O)Oc2ccc(N)cc2)c(Cl)c1 ZINC001579061146 1191966325 /nfs/dbraw/zinc/96/63/25/1191966325.db2.gz BQTPBIDQNAKOHE-UHFFFAOYSA-N 0 0 321.760 3.167 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H](C)C(C)(C)C)cc1 ZINC001585449039 1192262113 /nfs/dbraw/zinc/26/21/13/1192262113.db2.gz DLPINVKIPTUMAN-AWEZNQCLSA-N 0 0 306.450 3.272 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H](CC(C)C)OC)cc1F ZINC001585697757 1192275698 /nfs/dbraw/zinc/27/56/98/1192275698.db2.gz ABVWYBXTNOUYEF-KRWDZBQOSA-N 0 0 324.440 3.349 20 10 DGCDRN Cc1cccc2c1CCC[C@H]2NC(=O)Cc1ccc(O)c(O)c1 ZINC001585581556 1192269933 /nfs/dbraw/zinc/26/99/33/1192269933.db2.gz NBNUIKVXXZRZAR-MRXNPFEDSA-N 0 0 311.381 3.143 20 10 DGCDRN Cc1ncccc1/C=C\C(=O)N1CCN(C2CC2)c2ccccc21 ZINC001585771968 1192280344 /nfs/dbraw/zinc/28/03/44/1192280344.db2.gz RFMIHDXZSPBZKT-FLIBITNWSA-N 0 0 319.408 3.419 20 10 DGCDRN CC(C)(C)Oc1ccccc1CNC(=O)c1cccc(O)c1O ZINC001586993953 1192362187 /nfs/dbraw/zinc/36/21/87/1192362187.db2.gz URLPTWGXHKWSTJ-UHFFFAOYSA-N 0 0 315.369 3.205 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2ccc(F)cc2F)cc1 ZINC001587009391 1192363959 /nfs/dbraw/zinc/36/39/59/1192363959.db2.gz WQPVCKXKTLFFIR-UHFFFAOYSA-N 0 0 304.256 3.380 20 10 DGCDRN Cc1cc(CNC(=O)[C@@H]2CCCO2)c(C)n1-c1cccc(C)c1 ZINC001587881228 1192423618 /nfs/dbraw/zinc/42/36/18/1192423618.db2.gz SPGQRJUYKSAZFV-SFHVURJKSA-N 0 0 312.413 3.198 20 10 DGCDRN O=C(c1cccn1Cc1ccccc1)N1Cc2cccc(O)c2C1 ZINC001587929006 1192425732 /nfs/dbraw/zinc/42/57/32/1192425732.db2.gz UUGYBPOUFPKJLY-UHFFFAOYSA-N 0 0 318.376 3.398 20 10 DGCDRN C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1[O-])c1ccsc1 ZINC001589952357 1192478272 /nfs/dbraw/zinc/47/82/72/1192478272.db2.gz NNQAIDJNEPMGTL-NXEZZACHSA-N 0 0 315.402 3.046 20 10 DGCDRN Cc1cc(NCc2c(O)cccc2Cl)cc(-c2nn[nH]n2)c1 ZINC001592052453 1192589036 /nfs/dbraw/zinc/58/90/36/1192589036.db2.gz MKLIGSHEJHJANF-UHFFFAOYSA-N 0 0 315.764 3.146 20 10 DGCDRN Cc1ccnc(NC(=O)c2cc3cc(O)c(O)cc3s2)c1 ZINC001596038785 1192678811 /nfs/dbraw/zinc/67/88/11/1192678811.db2.gz IOJVTTRTYJJWHQ-UHFFFAOYSA-N 0 0 300.339 3.268 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N(CC1CCCCC1)C1CC1 ZINC001596925175 1192711121 /nfs/dbraw/zinc/71/11/21/1192711121.db2.gz MLNALEGRUDXHMG-UHFFFAOYSA-N 0 0 303.402 3.212 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H](C)C[C@H](C)O ZINC001597435507 1192733182 /nfs/dbraw/zinc/73/31/82/1192733182.db2.gz LPTNDPUNQMSGSA-BBRMVZONSA-N 0 0 314.429 3.292 20 10 DGCDRN O=C(NCc1c(O)cccc1O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001597568899 1192738266 /nfs/dbraw/zinc/73/82/66/1192738266.db2.gz KEGUFMOPBPINCA-NXEZZACHSA-N 0 0 317.307 3.083 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)[C@H]1CCc2cccnc21 ZINC001597742764 1192745154 /nfs/dbraw/zinc/74/51/54/1192745154.db2.gz OWJCDHAMKJUQMK-INIZCTEOSA-N 0 0 318.376 3.287 20 10 DGCDRN Cc1cc(C[N@H+](C)Cc2ccc(C(=O)[O-])cc2)ccc1N(C)C ZINC001600191002 1192801775 /nfs/dbraw/zinc/80/17/75/1192801775.db2.gz UNLVGRKXXFJNTG-UHFFFAOYSA-N 0 0 312.413 3.391 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001600236394 1192816583 /nfs/dbraw/zinc/81/65/83/1192816583.db2.gz HPTQWMWBMMTRQW-IBGZPJMESA-N 0 0 324.424 3.073 20 10 DGCDRN C[C@H]1C[C@@H]1CNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001671076383 1177768502 /nfs/dbraw/zinc/76/85/02/1177768502.db2.gz SIAUHGQRHZMIBY-QWHCGFSZSA-N 0 0 321.384 3.174 20 10 DGCDRN CC(C)c1nccn1CC(=O)NCc1c(O)ccc2ccccc21 ZINC001157050434 1178039872 /nfs/dbraw/zinc/03/98/72/1178039872.db2.gz GVDVRGBPHHCSFB-UHFFFAOYSA-N 0 0 323.396 3.182 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCC[C@@H]1CCCC1(F)F ZINC001331088760 1178132912 /nfs/dbraw/zinc/13/29/12/1178132912.db2.gz AODLHXZAYKZREU-FUEXJSSKSA-N 0 0 312.312 3.480 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCCOC1CCCCC1 ZINC001331549839 1178244115 /nfs/dbraw/zinc/24/41/15/1178244115.db2.gz AOEIJWHITRKIHP-VQHVLOKHSA-N 0 0 306.358 3.004 20 10 DGCDRN Cc1ccccc1[C@H](C(=O)[O-])N1CCCc2cc(C[NH3+])ccc21 ZINC001600570447 1192876786 /nfs/dbraw/zinc/87/67/86/1192876786.db2.gz XFVYTSHDFUKHLR-GOSISDBHSA-N 0 0 310.397 3.032 20 10 DGCDRN COc1ccc([C@@H](C)NC(=O)NCc2cc(C)ccc2O)cc1 ZINC001332650137 1178467709 /nfs/dbraw/zinc/46/77/09/1178467709.db2.gz MZHUVSMVSTXPHJ-CYBMUJFWSA-N 0 0 314.385 3.270 20 10 DGCDRN CC(C)Cn1cc(NC(=O)NCc2cccc(Cl)c2O)cn1 ZINC001333007936 1178539622 /nfs/dbraw/zinc/53/96/22/1178539622.db2.gz AUHSAHAXARPSEC-UHFFFAOYSA-N 0 0 322.796 3.220 20 10 DGCDRN Cc1noc(C2CC2)c1NC(=O)N[C@@H](C)c1ccccc1O ZINC001333053889 1178547624 /nfs/dbraw/zinc/54/76/24/1178547624.db2.gz JYCFTIBRHNKBPE-VIFPVBQESA-N 0 0 301.346 3.449 20 10 DGCDRN COc1ccnc(CNCc2ccc(N3CCCC3)cc2)c1F ZINC001333847085 1178684420 /nfs/dbraw/zinc/68/44/20/1178684420.db2.gz PBQRBWWBCZREDJ-UHFFFAOYSA-N 0 0 315.392 3.119 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1CCC2(CCC2)CO1 ZINC001333882688 1178689663 /nfs/dbraw/zinc/68/96/63/1178689663.db2.gz FMBRTRWNOFVMOJ-LYKUJDHUSA-N 0 0 318.369 3.004 20 10 DGCDRN Cn1c2ccc(F)cc2c(C[NH2+][C@@H]2CCC2(C)C)c1C(=O)[O-] ZINC001600902083 1192909921 /nfs/dbraw/zinc/90/99/21/1192909921.db2.gz POVRYVVAAMNFGQ-CQSZACIVSA-N 0 0 304.365 3.294 20 10 DGCDRN CC(C)Oc1cccc(CNC(=O)NCc2ccc(N)cc2)c1 ZINC001335401080 1178905669 /nfs/dbraw/zinc/90/56/69/1178905669.db2.gz XHVGYXCOQRKMFI-UHFFFAOYSA-N 0 0 313.401 3.055 20 10 DGCDRN Cc1cc(C(=O)N2CCCSC2)c(C)n1-c1ccccn1 ZINC001336092717 1178992105 /nfs/dbraw/zinc/99/21/05/1178992105.db2.gz BLJJPYWUTDXOSR-UHFFFAOYSA-N 0 0 301.415 3.026 20 10 DGCDRN O=C([O-])[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)C1CCCCC1 ZINC001601653638 1192935918 /nfs/dbraw/zinc/93/59/18/1192935918.db2.gz QLURAYJBZUXADH-KRWDZBQOSA-N 0 0 317.429 3.382 20 10 DGCDRN C[C@@H](NC(=O)CCNc1ccccc1)c1ccc(N(C)C)cc1 ZINC001342932401 1179213192 /nfs/dbraw/zinc/21/31/92/1179213192.db2.gz ROZCKBLKDMGVBB-OAHLLOKOSA-N 0 0 311.429 3.432 20 10 DGCDRN O=C([O-])CC1([NH2+]Cc2ccc3c(c2)CCCO3)CCCCC1 ZINC001601936670 1192952301 /nfs/dbraw/zinc/95/23/01/1192952301.db2.gz HIZAJSZQEXISCT-UHFFFAOYSA-N 0 0 303.402 3.279 20 10 DGCDRN CC[C@@H](NC(=O)NCc1ccc(N)cc1)c1ccccc1OC ZINC001346634195 1179728606 /nfs/dbraw/zinc/72/86/06/1179728606.db2.gz SWXDESYAOBRTJP-MRXNPFEDSA-N 0 0 313.401 3.228 20 10 DGCDRN Cc1cccc([C@H]2CCCN2C(=O)NCc2ccc(N)cc2)n1 ZINC001346738660 1179741462 /nfs/dbraw/zinc/74/14/62/1179741462.db2.gz IXOUAMLWVCDGOC-QGZVFWFLSA-N 0 0 310.401 3.019 20 10 DGCDRN O=C(NCCC(F)F)N(Cc1ccco1)Cc1ccccc1O ZINC001346879300 1179759143 /nfs/dbraw/zinc/75/91/43/1179759143.db2.gz QSDFDYLYJMONOF-UHFFFAOYSA-N 0 0 324.327 3.352 20 10 DGCDRN CCC[C@H](OCC)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001349117537 1179874708 /nfs/dbraw/zinc/87/47/08/1179874708.db2.gz KNQIZWMNKBQKAO-SFHVURJKSA-N 0 0 318.461 3.450 20 10 DGCDRN CN1CCCc2cc(CNC(=O)NC3(C)CC(F)(F)C3)ccc21 ZINC001349252847 1179883898 /nfs/dbraw/zinc/88/38/98/1179883898.db2.gz LOCIBBZTKCFLFH-UHFFFAOYSA-N 0 0 323.387 3.056 20 10 DGCDRN CCNc1ncc(C(=O)N2Cc3cccc(O)c3C2)cc1Cl ZINC001350144412 1180025485 /nfs/dbraw/zinc/02/54/85/1180025485.db2.gz QOJSVLAZJWBHBY-UHFFFAOYSA-N 0 0 317.776 3.028 20 10 DGCDRN C/C(=C/C(=O)N1CCCSc2ccccc21)c1cnccn1 ZINC001350753530 1180116902 /nfs/dbraw/zinc/11/69/02/1180116902.db2.gz ANODEPVPJYCTNT-QBFSEMIESA-N 0 0 311.410 3.409 20 10 DGCDRN CC(C)Cn1cc(NCc2cc(F)c(N(C)C)cc2F)cn1 ZINC001351331120 1180201138 /nfs/dbraw/zinc/20/11/38/1180201138.db2.gz OGHHMPKRQQOXIZ-UHFFFAOYSA-N 0 0 308.376 3.495 20 10 DGCDRN Cc1ccoc1CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001351673667 1180236164 /nfs/dbraw/zinc/23/61/64/1180236164.db2.gz MPNCQURZVJYFPM-UHFFFAOYSA-N 0 0 312.413 3.389 20 10 DGCDRN Cn1cnc(/C=C\C(=O)N(Cc2ccco2)c2ccccc2)c1 ZINC001351711020 1180239987 /nfs/dbraw/zinc/23/99/87/1180239987.db2.gz RJWQLKXUKXDJGX-KTKRTIGZSA-N 0 0 307.353 3.260 20 10 DGCDRN Cn1cnc(/C=C/C(=O)N2CCSc3ccc(Cl)cc32)c1 ZINC001353158341 1180479595 /nfs/dbraw/zinc/47/95/95/1180479595.db2.gz UMBUHJMCIGBXLG-HWKANZROSA-N 0 0 319.817 3.226 20 10 DGCDRN CC[C@@H](C)CNC(=S)N(CC)Cc1ccc(N(C)C)cc1 ZINC001200263705 1180493166 /nfs/dbraw/zinc/49/31/66/1180493166.db2.gz YVLFIRAVSARKTP-CQSZACIVSA-N 0 0 307.507 3.495 20 10 DGCDRN Cc1ccc(CNC(=S)NCc2ccc(N(C)C)cc2)cc1 ZINC001200322118 1180543441 /nfs/dbraw/zinc/54/34/41/1180543441.db2.gz CICZDUPBUORETJ-UHFFFAOYSA-N 0 0 313.470 3.225 20 10 DGCDRN CC(C)[C@@H]1N(C(=O)NCc2ccc(N)cc2)CC12CCCC2 ZINC001353538735 1180583586 /nfs/dbraw/zinc/58/35/86/1180583586.db2.gz ABJMKPLLDRQZQZ-INIZCTEOSA-N 0 0 301.434 3.379 20 10 DGCDRN CCCN(C)c1nnc(C2Sc3ncccc3C2=O)n1CC ZINC001353729062 1180636470 /nfs/dbraw/zinc/63/64/70/1180636470.db2.gz ROFDVWSGBFHRDI-UHFFFAOYSA-N 0 0 317.418 3.127 20 10 DGCDRN CC(C)c1[nH]c(C[NH2+][C@H](C)c2ccccc2O)cc1C(=O)[O-] ZINC001603987561 1193040963 /nfs/dbraw/zinc/04/09/63/1193040963.db2.gz JVIQBZQNYYZUCQ-LLVKDONJSA-N 0 0 302.374 3.393 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)C2(Cc3ccc(O)cc3)CC2)c1 ZINC001353752396 1180641625 /nfs/dbraw/zinc/64/16/25/1180641625.db2.gz HGUFBXJCTVPXRN-UHFFFAOYSA-N 0 0 311.381 3.045 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1C=CCC1 ZINC001300453497 1180687323 /nfs/dbraw/zinc/68/73/23/1180687323.db2.gz HBJKINKHLKSZIJ-INIZCTEOSA-N 0 0 308.381 3.355 20 10 DGCDRN S=C(NCc1ccco1)N1CCc2ccc(Cl)cc2C1 ZINC001200550737 1180714074 /nfs/dbraw/zinc/71/40/74/1180714074.db2.gz FDUWFWRCYKZORJ-UHFFFAOYSA-N 0 0 306.818 3.366 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC/C=C\Cl ZINC001472263647 1180729449 /nfs/dbraw/zinc/72/94/49/1180729449.db2.gz UJIOUYHZYDDIQX-YVMONPNESA-N 0 0 316.788 3.389 20 10 DGCDRN C[C@@H](C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O)CC(F)(F)F ZINC001604184180 1193059014 /nfs/dbraw/zinc/05/90/14/1193059014.db2.gz HTBMFJNLTKKYHV-RKDXNWHRSA-N 0 0 305.296 3.330 20 10 DGCDRN Cc1cc2nc(NCc3cc(O)ccc3O)c3ccccc3n2n1 ZINC001472868910 1180931203 /nfs/dbraw/zinc/93/12/03/1180931203.db2.gz ARNJOURKLAOLIW-UHFFFAOYSA-N 0 0 320.352 3.214 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCc2ccccc2C1)c1cc(C(=O)[O-])ccc1O ZINC001604326288 1193065503 /nfs/dbraw/zinc/06/55/03/1193065503.db2.gz GNKJTAZBQXQKSU-BLLLJJGKSA-N 0 0 311.381 3.299 20 10 DGCDRN C[C@H](OC(C)(C)C)c1nnc(N(C)Cc2ccccc2O)n1C ZINC001355486281 1181062352 /nfs/dbraw/zinc/06/23/52/1181062352.db2.gz YQTNQNPRIDTQJJ-LBPRGKRZSA-N 0 0 318.421 3.033 20 10 DGCDRN CCOc1ccc(N(CC)Cc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC001604459938 1193073677 /nfs/dbraw/zinc/07/36/77/1193073677.db2.gz IBUAOGPVULOCKG-UHFFFAOYSA-N 0 0 323.400 3.292 20 10 DGCDRN Cc1cc(CC(=O)Nc2ccn(C)n2)c(C)n1-c1ccccc1 ZINC001356625625 1181225075 /nfs/dbraw/zinc/22/50/75/1181225075.db2.gz JOJNRUAVFKMZTB-UHFFFAOYSA-N 0 0 308.385 3.009 20 10 DGCDRN Cc1cccnc1[C@@H](C)NC(=O)NCc1cccc(Cl)c1O ZINC001358475706 1181498223 /nfs/dbraw/zinc/49/82/23/1181498223.db2.gz OEVOCOLJFZFGLI-LLVKDONJSA-N 0 0 319.792 3.309 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC001360075682 1181615481 /nfs/dbraw/zinc/61/54/81/1181615481.db2.gz OGDQXXJBLCJTDA-CQSZACIVSA-N 0 0 324.424 3.314 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cc2ncccc2o1 ZINC001360273861 1181619096 /nfs/dbraw/zinc/61/90/96/1181619096.db2.gz QQTOCRWSMKZYKS-UHFFFAOYSA-N 0 0 309.369 3.132 20 10 DGCDRN CC[C@H]([NH2+]Cc1cc(C(=O)[O-])c(C)n1C)c1ccc(C)cc1O ZINC001605098635 1193113085 /nfs/dbraw/zinc/11/30/85/1193113085.db2.gz HDJXFJDAOYQHPT-INIZCTEOSA-N 0 0 316.401 3.287 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cc(C(=O)[O-])c(C)n1C)c1ccc(C)cc1O ZINC001605098636 1193113251 /nfs/dbraw/zinc/11/32/51/1193113251.db2.gz HDJXFJDAOYQHPT-MRXNPFEDSA-N 0 0 316.401 3.287 20 10 DGCDRN C/C(=C/C(=O)N(C)c1ccc(Cl)cc1F)c1cnccn1 ZINC001436074633 1181864674 /nfs/dbraw/zinc/86/46/74/1181864674.db2.gz SRYAQMSRQKRAAZ-YFHOEESVSA-N 0 0 305.740 3.335 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)CC2=CCCCC2)cc1 ZINC001437381550 1181932277 /nfs/dbraw/zinc/93/22/77/1181932277.db2.gz NQWJPPLGNWOATK-UHFFFAOYSA-N 0 0 316.445 3.480 20 10 DGCDRN Cc1cc(CCNC(=O)[C@@H]2C[C@@H]2F)c(C)n1-c1ccccc1 ZINC001438176281 1181961609 /nfs/dbraw/zinc/96/16/09/1181961609.db2.gz DOOHLKMUNZXHHR-SJORKVTESA-N 0 0 300.377 3.111 20 10 DGCDRN Cc1cc(CCNC(=O)[C@H]2C[C@H]2F)c(C)n1-c1ccccc1 ZINC001438176276 1181961686 /nfs/dbraw/zinc/96/16/86/1181961686.db2.gz DOOHLKMUNZXHHR-DLBZAZTESA-N 0 0 300.377 3.111 20 10 DGCDRN Cc1ccc([C@@H]2CCCN2C(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001441013029 1182053672 /nfs/dbraw/zinc/05/36/72/1182053672.db2.gz HNZARTZTIQTVIZ-INIZCTEOSA-N 0 0 311.381 3.312 20 10 DGCDRN Cc1cccnc1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001441467756 1182063645 /nfs/dbraw/zinc/06/36/45/1182063645.db2.gz RVJWLIZRJGGCQN-UHFFFAOYSA-N 0 0 300.339 3.268 20 10 DGCDRN O=C(NC1(c2ccc(F)cc2)CCCC1)c1cccc(O)c1O ZINC001443234476 1182098500 /nfs/dbraw/zinc/09/85/00/1182098500.db2.gz CCZDRQCHRRXFJS-UHFFFAOYSA-N 0 0 315.344 3.436 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCc2ccc[nH]2)c1 ZINC001444834793 1182130156 /nfs/dbraw/zinc/13/01/56/1182130156.db2.gz KHCQQLFUAHLALI-UHFFFAOYSA-N 0 0 321.380 3.165 20 10 DGCDRN C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc2c(c1)CCC2 ZINC001447176191 1182184530 /nfs/dbraw/zinc/18/45/30/1182184530.db2.gz NOCOLSSGSSCAMF-AGEOTTOMSA-N 0 0 323.392 3.477 20 10 DGCDRN C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1ccccn1 ZINC001448234030 1182204386 /nfs/dbraw/zinc/20/43/86/1182204386.db2.gz COZOOFNTFJCHQY-SECBINFHSA-N 0 0 314.366 3.199 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCCCC12CCCC2 ZINC001450444592 1182250147 /nfs/dbraw/zinc/25/01/47/1182250147.db2.gz GLQOUSNGFRXRQU-MRXNPFEDSA-N 0 0 303.402 3.260 20 10 DGCDRN CCC[C@H]1CCCC[C@@H]1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001451454827 1182269550 /nfs/dbraw/zinc/26/95/50/1182269550.db2.gz GWIDSQFTTLDBKW-LSDHHAIUSA-N 0 0 305.418 3.363 20 10 DGCDRN C[C@@H](NC(=O)/C=C/c1ccnc(Cl)c1)c1ccccc1O ZINC001454806735 1182353744 /nfs/dbraw/zinc/35/37/44/1182353744.db2.gz MULGFPJSKBURCY-XUIVZRPNSA-N 0 0 302.761 3.331 20 10 DGCDRN Cc1ccc(C(=O)N[C@H](C)c2ccccc2O)cc1[N+](=O)[O-] ZINC001454792482 1182353855 /nfs/dbraw/zinc/35/38/55/1182353855.db2.gz DIPCCCHCFRRUBD-LLVKDONJSA-N 0 0 300.314 3.100 20 10 DGCDRN C[C@@H](C(=O)NCc1cccc(O)c1O)c1cn(C)c2ccccc12 ZINC001455314751 1182366641 /nfs/dbraw/zinc/36/66/41/1182366641.db2.gz JAQGQWWCHOKKJX-GFCCVEGCSA-N 0 0 324.380 3.009 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001455355570 1182367031 /nfs/dbraw/zinc/36/70/31/1182367031.db2.gz CWOQOUCLMHAYPD-KOLCDFICSA-N 0 0 317.307 3.083 20 10 DGCDRN C[C@H](Cc1ccccc1Cl)NC(=O)c1c(F)ccc(O)c1O ZINC001457560088 1182469951 /nfs/dbraw/zinc/46/99/51/1182469951.db2.gz SGNJVKQOLUQSOG-SECBINFHSA-N 0 0 323.751 3.251 20 10 DGCDRN CC[C@@H]1c2ccccc2CN1C(=O)c1c(F)ccc(O)c1O ZINC001458033387 1182490886 /nfs/dbraw/zinc/49/08/86/1182490886.db2.gz BBOKEJCARGVOSD-CYBMUJFWSA-N 0 0 301.317 3.344 20 10 DGCDRN CCOc1ccc(N(CC)CCc2ccc(C(N)=O)cc2)cc1 ZINC001459741484 1182611038 /nfs/dbraw/zinc/61/10/38/1182611038.db2.gz QKSKEVHPEJFFJU-UHFFFAOYSA-N 0 0 312.413 3.253 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1cc(F)ccc1F ZINC001459873529 1182625571 /nfs/dbraw/zinc/62/55/71/1182625571.db2.gz CWWUKKFVVQRTOX-UHFFFAOYSA-N 0 0 304.340 3.430 20 10 DGCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1nonc1C ZINC001460286066 1182672871 /nfs/dbraw/zinc/67/28/71/1182672871.db2.gz PHNRRVDXSCJVDZ-CQSZACIVSA-N 0 0 301.390 3.222 20 10 DGCDRN C[C@H](NCc1nc(Cc2ccccc2)no1)c1ccccc1O ZINC001460638346 1182702344 /nfs/dbraw/zinc/70/23/44/1182702344.db2.gz NBGNVVQSTDARMG-ZDUSSCGKSA-N 0 0 309.369 3.217 20 10 DGCDRN Cc1cc(C)c2c(c1)N(C(=O)/C=C\c1cccnc1C)CCO2 ZINC001461333046 1182796445 /nfs/dbraw/zinc/79/64/45/1182796445.db2.gz YIUSAGIGPQDQPM-SREVYHEPSA-N 0 0 308.381 3.446 20 10 DGCDRN CC1(C)CC[C@@H](CO)[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC001653016548 1195680894 /nfs/dbraw/zinc/68/08/94/1195680894.db2.gz BMAJGBZCVIYOHM-JTQLQIEISA-N 0 0 301.789 3.168 20 10 DGCDRN CN(C)c1ccc(CNc2cccc(CCCO)c2)cc1F ZINC001461425231 1182811465 /nfs/dbraw/zinc/81/14/65/1182811465.db2.gz AITFNNDTGWMSHY-UHFFFAOYSA-N 0 0 302.393 3.429 20 10 DGCDRN CN(C)c1cc(F)c(CN2CCOC3(CCCC3)C2)cc1F ZINC001461939329 1182880978 /nfs/dbraw/zinc/88/09/78/1182880978.db2.gz XNFZKGHKZNTQGR-UHFFFAOYSA-N 0 0 310.388 3.176 20 10 DGCDRN CCc1oc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1C(=O)[O-] ZINC001605891829 1193183147 /nfs/dbraw/zinc/18/31/47/1193183147.db2.gz IQJHPZFCZGCCHN-JTQLQIEISA-N 0 0 319.357 3.105 20 10 DGCDRN COc1ccccc1OCC[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC001461978632 1182889726 /nfs/dbraw/zinc/88/97/26/1182889726.db2.gz XNRPIOBMWQBKJP-UHFFFAOYSA-N 0 0 323.339 3.190 20 10 DGCDRN Cc1ccc(N2CC[NH+](Cc3cc(F)cc(F)c3[O-])CC2)cc1 ZINC001461993883 1182891634 /nfs/dbraw/zinc/89/16/34/1182891634.db2.gz WVXIEYXVFINOGJ-UHFFFAOYSA-N 0 0 318.367 3.301 20 10 DGCDRN COC(=O)c1cc(NCc2cc(OC)ccc2O)ccc1C ZINC001462024834 1182898479 /nfs/dbraw/zinc/89/84/79/1182898479.db2.gz XDTGZCGZBDSVSZ-UHFFFAOYSA-N 0 0 301.342 3.108 20 10 DGCDRN COc1ccc(N(C)Cc2cc(C)cc(OC)c2O)cc1F ZINC001462076923 1182904251 /nfs/dbraw/zinc/90/42/51/1182904251.db2.gz VCPPDVUMOACYPE-UHFFFAOYSA-N 0 0 305.349 3.493 20 10 DGCDRN CCc1cccc(CN[C@@H](CC(C)C)C(=O)OC(C)C)c1O ZINC001462122619 1182911360 /nfs/dbraw/zinc/91/13/60/1182911360.db2.gz FJJWHYILNNUOAZ-INIZCTEOSA-N 0 0 307.434 3.411 20 10 DGCDRN Cc1cc(O)c(CN2C[C@H](O)Cc3ccccc32)c(Cl)c1 ZINC001462165027 1182918026 /nfs/dbraw/zinc/91/80/26/1182918026.db2.gz VQDBWJKPSKIHAB-CYBMUJFWSA-N 0 0 303.789 3.278 20 10 DGCDRN COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC001462189600 1182920590 /nfs/dbraw/zinc/92/05/90/1182920590.db2.gz OGJKTXWTCRRFRB-OAHLLOKOSA-N 0 0 321.367 3.360 20 10 DGCDRN Cc1ccc(CN2C[C@@H](C)C(=O)N(C)c3ccccc32)c(O)c1 ZINC001462302359 1182936259 /nfs/dbraw/zinc/93/62/59/1182936259.db2.gz DFVXOVFUQJUKSM-CQSZACIVSA-N 0 0 310.397 3.320 20 10 DGCDRN CC[C@@H](NCc1ccc(N(C)C)cc1C)C(=O)OC(C)(C)C ZINC001462390269 1182945723 /nfs/dbraw/zinc/94/57/23/1182945723.db2.gz VCODRWQAIVNLLF-MRXNPFEDSA-N 0 0 306.450 3.271 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001462391396 1182947198 /nfs/dbraw/zinc/94/71/98/1182947198.db2.gz XYMYVKDQSRVVLD-HNNXBMFYSA-N 0 0 305.324 3.324 20 10 DGCDRN C[N@@H+]1CCN(Cc2c([O-])ccc(Cl)c2F)CCC1(C)C ZINC001462483023 1182960098 /nfs/dbraw/zinc/96/00/98/1182960098.db2.gz ZMWDMEHSAZIHGI-UHFFFAOYSA-N 0 0 300.805 3.101 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC001462521140 1182963327 /nfs/dbraw/zinc/96/33/27/1182963327.db2.gz HWZALVIRWUQRAZ-ZJUUUORDSA-N 0 0 301.814 3.370 20 10 DGCDRN C[C@@H](c1ccco1)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001463938738 1183058976 /nfs/dbraw/zinc/05/89/76/1183058976.db2.gz QTXBLGJYMXVNIX-JTQLQIEISA-N 0 0 300.318 3.275 20 10 DGCDRN C[C@H](c1ccco1)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001463938739 1183059282 /nfs/dbraw/zinc/05/92/82/1183059282.db2.gz QTXBLGJYMXVNIX-SNVBAGLBSA-N 0 0 300.318 3.275 20 10 DGCDRN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)Cc1ccc(O)c(O)c1 ZINC001465120262 1183131132 /nfs/dbraw/zinc/13/11/32/1183131132.db2.gz ROHCAQUMTIYLEZ-CJNGLKHVSA-N 0 0 311.381 3.045 20 10 DGCDRN O=C(Cc1ccc(F)c(F)c1)NCc1cccc(Cl)c1O ZINC001606859995 1193206124 /nfs/dbraw/zinc/20/61/24/1193206124.db2.gz DRZOBZSSSULBGE-UHFFFAOYSA-N 0 0 311.715 3.183 20 10 DGCDRN Cc1ccccc1OCC(=O)NCc1cccc(Cl)c1O ZINC001606860501 1193206488 /nfs/dbraw/zinc/20/64/88/1193206488.db2.gz NWCUQEAUHDTBFN-UHFFFAOYSA-N 0 0 305.761 3.049 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1c(F)ccc2ccncc21 ZINC001465842763 1183172428 /nfs/dbraw/zinc/17/24/28/1183172428.db2.gz AJQLMYDDZCBQKX-UHFFFAOYSA-N 0 0 310.328 3.352 20 10 DGCDRN C[C@H](Sc1ccc(F)cc1)C(=O)NCc1ccc(O)c(O)c1 ZINC001465953296 1183178667 /nfs/dbraw/zinc/17/86/67/1183178667.db2.gz DZBCUAJQIPZMFL-JTQLQIEISA-N 0 0 321.373 3.034 20 10 DGCDRN O=C(Nc1ccc(O)cc1F)c1cc2cc(O)c(O)cc2s1 ZINC001466333247 1183198837 /nfs/dbraw/zinc/19/88/37/1183198837.db2.gz BCEYGSJOHBNDBD-UHFFFAOYSA-N 0 0 319.313 3.410 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\C=C(Cl)Cl ZINC001466791159 1183225061 /nfs/dbraw/zinc/22/50/61/1183225061.db2.gz PREBOVRNNWKJCB-MDHMXLOGSA-N 0 0 316.184 3.020 20 10 DGCDRN COc1cccc(NC(=O)N(C)Cc2ccccc2O)c1OC ZINC001467262016 1183250146 /nfs/dbraw/zinc/25/01/46/1183250146.db2.gz USMPECCDRMQYHC-UHFFFAOYSA-N 0 0 316.357 3.073 20 10 DGCDRN CCC(CC)(CNC(=O)NCc1c(O)cccc1F)SC ZINC001469069103 1183380653 /nfs/dbraw/zinc/38/06/53/1183380653.db2.gz LGKNLCLCCXPSRB-UHFFFAOYSA-N 0 0 314.426 3.252 20 10 DGCDRN Cc1c(NC(=O)c2cccc(O)c2O)cnn1-c1cccc(C)c1 ZINC001469310481 1183398671 /nfs/dbraw/zinc/39/86/71/1183398671.db2.gz NAFCOKMPRBYQBL-UHFFFAOYSA-N 0 0 323.352 3.153 20 10 DGCDRN CC(C)=CCNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001469786458 1183437540 /nfs/dbraw/zinc/43/75/40/1183437540.db2.gz VOQKBBZHZABXNH-HNNXBMFYSA-N 0 0 303.450 3.257 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1cccc2c1C(=O)CC2 ZINC001469877037 1183443399 /nfs/dbraw/zinc/44/33/99/1183443399.db2.gz LDTOAJMICBCYQI-UHFFFAOYSA-N 0 0 315.756 3.105 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CCc2ccc(F)cc2F)c1 ZINC001470255516 1183473643 /nfs/dbraw/zinc/47/36/43/1183473643.db2.gz XILALRNHXYHTGP-UHFFFAOYSA-N 0 0 305.324 3.228 20 10 DGCDRN COc1cccc(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)c1C ZINC001607323195 1193224375 /nfs/dbraw/zinc/22/43/75/1193224375.db2.gz CDMIUFQNVXZDCF-GFCCVEGCSA-N 0 0 315.369 3.258 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H](C)c2ccccc2O)cc1[N+](=O)[O-] ZINC001471194119 1183545517 /nfs/dbraw/zinc/54/55/17/1183545517.db2.gz DIPCCCHCFRRUBD-NSHDSACASA-N 0 0 300.314 3.100 20 10 DGCDRN C[C@H](NC(=O)CCOc1ccccc1F)c1ccccc1O ZINC001471194212 1183545636 /nfs/dbraw/zinc/54/56/36/1183545636.db2.gz FXQQZGPQWIDYKJ-LBPRGKRZSA-N 0 0 303.333 3.178 20 10 DGCDRN C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1N)c1ccccc1O ZINC001471195123 1183545649 /nfs/dbraw/zinc/54/56/49/1183545649.db2.gz CKJMGLMTAGZXED-SECBINFHSA-N 0 0 324.302 3.484 20 10 DGCDRN O=C(c1c(F)ccc2ccncc21)N1Cc2cccc(O)c2C1 ZINC001471355544 1183558574 /nfs/dbraw/zinc/55/85/74/1183558574.db2.gz KHPZKHNBNHHWNQ-UHFFFAOYSA-N 0 0 308.312 3.236 20 10 DGCDRN Cc1ccc(CCCC(=O)NCc2cc(O)ccc2O)s1 ZINC001471661666 1183580772 /nfs/dbraw/zinc/58/07/72/1183580772.db2.gz XFMHTSGQRSANGY-UHFFFAOYSA-N 0 0 305.399 3.107 20 10 DGCDRN CC(C)(C(=O)NCc1c(O)cccc1F)c1cccc(F)c1 ZINC001471976317 1183603935 /nfs/dbraw/zinc/60/39/35/1183603935.db2.gz WKAUKOCTPVYDPO-UHFFFAOYSA-N 0 0 305.324 3.264 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC001471975714 1183604498 /nfs/dbraw/zinc/60/44/98/1183604498.db2.gz DSQKBLCLALNFBB-STQMWFEESA-N 0 0 303.308 3.090 20 10 DGCDRN Cc1ccc2cc(C(=O)NCc3c(O)cccc3F)ccc2n1 ZINC001471975631 1183604533 /nfs/dbraw/zinc/60/45/33/1183604533.db2.gz AMBLKOMZXLHYBH-UHFFFAOYSA-N 0 0 310.328 3.318 20 10 DGCDRN Cc1ccc(CCC(=O)NCc2c(O)cccc2O)cc1Cl ZINC001472064403 1183613476 /nfs/dbraw/zinc/61/34/76/1183613476.db2.gz WGVHIVBUTSYVLE-UHFFFAOYSA-N 0 0 319.788 3.309 20 10 DGCDRN CCc1cnc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)o1 ZINC001472152367 1183621178 /nfs/dbraw/zinc/62/11/78/1183621178.db2.gz LQJXMBQNPUCWQF-UHFFFAOYSA-N 0 0 310.357 3.292 20 10 DGCDRN COC(=O)c1cccc(CSc2ncc(Cl)s2)n1 ZINC001473066969 1183711990 /nfs/dbraw/zinc/71/19/90/1183711990.db2.gz VIAQBVKKQLDVGH-UHFFFAOYSA-N 0 0 300.792 3.270 20 10 DGCDRN CN(CC(=O)Nc1ccc(Cl)c(F)c1)Cc1ccccc1O ZINC001473233411 1183733761 /nfs/dbraw/zinc/73/37/61/1183733761.db2.gz MOKBNMJTCGCJPN-UHFFFAOYSA-N 0 0 322.767 3.255 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNCc1nn(C)cc1C(F)F ZINC001474239962 1183888466 /nfs/dbraw/zinc/88/84/66/1183888466.db2.gz NHUJBNJAMDKKPW-UHFFFAOYSA-N 0 0 318.371 3.448 20 10 DGCDRN CN(C)c1ccc(CNc2cn(-c3ccccc3)nn2)cc1F ZINC001474305372 1183902653 /nfs/dbraw/zinc/90/26/53/1183902653.db2.gz LQOURFMSCPDYOY-UHFFFAOYSA-N 0 0 311.364 3.085 20 10 DGCDRN Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001474330736 1183904902 /nfs/dbraw/zinc/90/49/02/1183904902.db2.gz FJFWKWFHZSQAIU-HNNXBMFYSA-N 0 0 307.344 3.049 20 10 DGCDRN CN1CCCC(C)(C)[C@H]1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC001474498748 1183932117 /nfs/dbraw/zinc/93/21/17/1183932117.db2.gz XHUQCYHLLHPKHA-OAHLLOKOSA-N 0 0 314.832 3.395 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H](CO)c1ccc(F)cc1F ZINC001474639925 1183954533 /nfs/dbraw/zinc/95/45/33/1183954533.db2.gz SRQFSMHXWOUVQZ-CQSZACIVSA-N 0 0 313.731 3.147 20 10 DGCDRN COC(=O)C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])C(C)(C)C ZINC001474725807 1183969291 /nfs/dbraw/zinc/96/92/91/1183969291.db2.gz MXFZNKHYBIKCOI-GFCCVEGCSA-N 0 0 317.788 3.252 20 10 DGCDRN CCc1cccc(CNc2nc3c(cccc3OC)n2C)c1O ZINC001474763963 1183974889 /nfs/dbraw/zinc/97/48/89/1183974889.db2.gz MYAWNVKHPLSFKX-UHFFFAOYSA-N 0 0 311.385 3.462 20 10 DGCDRN CC(C)c1ccc(S(=O)(=O)NCc2c(O)cccc2F)cc1 ZINC001475707540 1184014899 /nfs/dbraw/zinc/01/48/99/1184014899.db2.gz UMVDQSZSQPDTPC-UHFFFAOYSA-N 0 0 323.389 3.133 20 10 DGCDRN C[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)[C@@H](C)[C@H]1C ZINC001477634845 1184103437 /nfs/dbraw/zinc/10/34/37/1184103437.db2.gz LYPVFUMZJBOYSM-ILXRZTDVSA-N 0 0 315.461 3.255 20 10 DGCDRN Cc1ccc2c(c1)[C@@H](NC(=O)NCc1c(O)cccc1F)CC2 ZINC001478912043 1184186691 /nfs/dbraw/zinc/18/66/91/1184186691.db2.gz IZPOSTKQGMBYMK-INIZCTEOSA-N 0 0 314.360 3.326 20 10 DGCDRN Cn1c2ccc(F)cc2c(C[NH2+][C@@H]2CCCC23CC3)c1C(=O)[O-] ZINC001608078719 1193277466 /nfs/dbraw/zinc/27/74/66/1193277466.db2.gz FCIMLDMQMREARV-OAHLLOKOSA-N 0 0 316.376 3.438 20 10 DGCDRN CC[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1(C(=O)[O-])CCC1 ZINC001609929855 1193365706 /nfs/dbraw/zinc/36/57/06/1193365706.db2.gz BLCGYVPFJKKQSC-KRWDZBQOSA-N 0 0 316.445 3.410 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@H]2CCC[C@@H]2C(=O)[O-])cc1F ZINC001609998993 1193371658 /nfs/dbraw/zinc/37/16/58/1193371658.db2.gz DCDDHMRCXQJHIP-ZFWWWQNUSA-N 0 0 308.397 3.015 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])cc1F ZINC001609998992 1193372053 /nfs/dbraw/zinc/37/20/53/1193372053.db2.gz DCDDHMRCXQJHIP-UKRRQHHQSA-N 0 0 308.397 3.015 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[C@H](CC(=O)[O-])[C@@H]1C ZINC001610466129 1193391023 /nfs/dbraw/zinc/39/10/23/1193391023.db2.gz DTNDTDHEXVTJMP-JJRVBVJISA-N 0 0 304.434 3.040 20 10 DGCDRN Cc1ccc([C@H]([NH2+]Cc2cc(F)ccc2O)C(=O)[O-])cc1C ZINC001610495661 1193393394 /nfs/dbraw/zinc/39/33/94/1193393394.db2.gz RMUMPVPGDIAMEE-INIZCTEOSA-N 0 0 303.333 3.064 20 10 DGCDRN Cc1ccc(O)c(C[N@@H+](Cc2ccccc2)C[C@@H](C)C(=O)[O-])c1 ZINC001610509591 1193394450 /nfs/dbraw/zinc/39/44/50/1193394450.db2.gz LTQWCCGSEHZCLK-OAHLLOKOSA-N 0 0 313.397 3.424 20 10 DGCDRN Cc1nnc(N(C)Cc2ccccc2O)n1CCCC(C)C ZINC001511779855 1186634635 /nfs/dbraw/zinc/63/46/35/1186634635.db2.gz QRZFTPTZBAMTOV-UHFFFAOYSA-N 0 0 302.422 3.365 20 10 DGCDRN C[C@H](NC(=O)c1cncc2[nH]ccc21)c1ccc(N(C)C)cc1 ZINC001517366431 1186810150 /nfs/dbraw/zinc/81/01/50/1186810150.db2.gz DZVWNCRSKGJKOM-LBPRGKRZSA-N 0 0 308.385 3.120 20 10 DGCDRN CC[C@H](C)Oc1cc(NCc2c(O)cccc2F)nc(C)n1 ZINC001612950140 1193464732 /nfs/dbraw/zinc/46/47/32/1193464732.db2.gz GNBXXHUZKDVTPP-JTQLQIEISA-N 0 0 305.353 3.419 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cncs1 ZINC001523553157 1187171798 /nfs/dbraw/zinc/17/17/98/1187171798.db2.gz GPMOVIBHJLHEEK-UHFFFAOYSA-N 0 0 301.415 3.016 20 10 DGCDRN C/C(=C/C(=O)N(C)c1cccc2cccnc21)c1cnccn1 ZINC001524324053 1187235034 /nfs/dbraw/zinc/23/50/34/1187235034.db2.gz HUFCUVAPVZAVCX-QBFSEMIESA-N 0 0 304.353 3.091 20 10 DGCDRN C[C@H](NC(=O)Nc1ccc(CO)cc1)c1ccc(N(C)C)cc1 ZINC001526896088 1187396419 /nfs/dbraw/zinc/39/64/19/1187396419.db2.gz FESOHAFIKTXXGG-ZDUSSCGKSA-N 0 0 313.401 3.128 20 10 DGCDRN Cc1ncccc1/C=C/C(=O)N1CCOc2c(F)ccc(F)c21 ZINC001527647767 1187441108 /nfs/dbraw/zinc/44/11/08/1187441108.db2.gz VOGAVJSWQZPVGP-QPJJXVBHSA-N 0 0 316.307 3.107 20 10 DGCDRN Cc1ccc(Cl)c2c1CCCN2C(=O)/C=C/c1cn(C)cn1 ZINC001528789605 1187512830 /nfs/dbraw/zinc/51/28/30/1187512830.db2.gz KCFVMBYCTFHEHT-SOFGYWHQSA-N 0 0 315.804 3.375 20 10 DGCDRN CCCC[C@H](C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001531375037 1187682756 /nfs/dbraw/zinc/68/27/56/1187682756.db2.gz PQPVDPKUOUFRLT-HNNXBMFYSA-N 0 0 306.450 3.416 20 10 DGCDRN Cc1cc(CC(=O)Nc2ccnnc2)c(C)n1-c1ccccc1 ZINC001535451373 1187961391 /nfs/dbraw/zinc/96/13/91/1187961391.db2.gz KMORDRXATKOLCX-UHFFFAOYSA-N 0 0 306.369 3.065 20 10 DGCDRN C/C(=C/C(=O)N(C)c1ccc2ccccc2n1)c1cnccn1 ZINC001538064078 1188116782 /nfs/dbraw/zinc/11/67/82/1188116782.db2.gz AZTHCNUHUFOKDT-QBFSEMIESA-N 0 0 304.353 3.091 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)N1CCOc2c(F)ccc(F)c21 ZINC001538194476 1188124651 /nfs/dbraw/zinc/12/46/51/1188124651.db2.gz LEMRWXWQHIMWRS-GORDUTHDSA-N 0 0 316.307 3.107 20 10 DGCDRN CCn1ccc(C(=O)Nc2c3nonc3ccc2Cl)c1C ZINC001539054298 1188175618 /nfs/dbraw/zinc/17/56/18/1188175618.db2.gz PYSXDZPFGDUIBS-UHFFFAOYSA-N 0 0 304.737 3.258 20 10 DGCDRN COc1ccccc1OC(=O)c1sc2ncccc2c1N ZINC001540546516 1188245576 /nfs/dbraw/zinc/24/55/76/1188245576.db2.gz YYIYIQXJJNIOGX-UHFFFAOYSA-N 0 0 300.339 3.106 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@H]2C[C@@H]2C)c1 ZINC001540817787 1188263761 /nfs/dbraw/zinc/26/37/61/1188263761.db2.gz FOQAFBKGAQUIQA-BLLLJJGKSA-N 0 0 310.397 3.292 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](C)[C@@H]2CCCO2)cc1F ZINC001543251562 1188324428 /nfs/dbraw/zinc/32/44/28/1188324428.db2.gz SOCBEOFELISKDM-GUYCJALGSA-N 0 0 322.424 3.103 20 10 DGCDRN C[C@@H](Cc1ccsc1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001543518602 1188338745 /nfs/dbraw/zinc/33/87/45/1188338745.db2.gz NLUURNDUXLPPEE-JTQLQIEISA-N 0 0 316.386 3.272 20 10 DGCDRN Cc1cnccc1/C=C\C(=O)Nc1c2nonc2ccc1Cl ZINC001543806020 1188364123 /nfs/dbraw/zinc/36/41/23/1188364123.db2.gz RMJQZVNQKBOCNF-DJWKRKHSSA-N 0 0 314.732 3.232 20 10 DGCDRN O=C(NCc1cccc(O)c1O)[C@H]1CCCCc2ccccc21 ZINC001548791563 1188463165 /nfs/dbraw/zinc/46/31/65/1188463165.db2.gz UGRJZYFSQRJGCC-INIZCTEOSA-N 0 0 311.381 3.224 20 10 DGCDRN COc1cccc(CNC(=O)Nc2cncc(Cl)c2C)c1O ZINC001562886652 1188595126 /nfs/dbraw/zinc/59/51/26/1188595126.db2.gz WNFKKZMDXIVJFJ-UHFFFAOYSA-N 0 0 321.764 3.079 20 10 DGCDRN Cc1cc(CN2CC(O)(C(C)C)C2)ccc1N1CCCCC1 ZINC001617678903 1193577597 /nfs/dbraw/zinc/57/75/97/1193577597.db2.gz FKOSNLSGQBBFAY-UHFFFAOYSA-N 0 0 302.462 3.188 20 10 DGCDRN COCCN(Cc1cc(F)cc(C(C)=O)c1O)c1ccccc1 ZINC001617947952 1193586726 /nfs/dbraw/zinc/58/67/26/1193586726.db2.gz QGYFZBKNWRVVFC-UHFFFAOYSA-N 0 0 317.360 3.387 20 10 DGCDRN C=C=CCNC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC001556751180 1189017914 /nfs/dbraw/zinc/01/79/14/1189017914.db2.gz MPZIXSSYBLSBKI-UHFFFAOYSA-N 0 0 308.381 3.286 20 10 DGCDRN CCn1ccc(C(=O)NCc2ccc3cccnc3c2O)c1C ZINC001557124125 1189042175 /nfs/dbraw/zinc/04/21/75/1189042175.db2.gz WOWXILSEXFIRFS-UHFFFAOYSA-N 0 0 309.369 3.000 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc3cccnc3c2O)c(F)c1 ZINC001557122276 1189042686 /nfs/dbraw/zinc/04/26/86/1189042686.db2.gz GCSHBPCQNTYDLW-UHFFFAOYSA-N 0 0 310.328 3.318 20 10 DGCDRN C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@H]1CC2CCC1CC2 ZINC001557324076 1189056453 /nfs/dbraw/zinc/05/64/53/1189056453.db2.gz JMDFIUZWDFCBAY-NFTQBCIJSA-N 0 0 315.413 3.442 20 10 DGCDRN COc1cc(C)c(C)cc1NC(=O)c1ccc(C)c(O)c1O ZINC001557461748 1189065775 /nfs/dbraw/zinc/06/57/75/1189065775.db2.gz FNRVDIHWZGDVKY-UHFFFAOYSA-N 0 0 301.342 3.284 20 10 DGCDRN COc1ccccc1C(F)(F)C(=O)NCc1cc(C)ccc1O ZINC001557553731 1189071734 /nfs/dbraw/zinc/07/17/34/1189071734.db2.gz ZKYLFCKZGIQQLE-UHFFFAOYSA-N 0 0 321.323 3.117 20 10 DGCDRN C[C@@H](NC(=O)C(F)(F)Cc1ccccc1)c1ccccc1O ZINC001557966626 1189094856 /nfs/dbraw/zinc/09/48/56/1189094856.db2.gz KXBAZWMQUZRXOW-GFCCVEGCSA-N 0 0 305.324 3.447 20 10 DGCDRN CSc1ccc(O)c(C(=O)N[C@H](C)c2ccccc2O)c1 ZINC001557967259 1189094912 /nfs/dbraw/zinc/09/49/12/1189094912.db2.gz YINPKQQTTKOUJQ-SNVBAGLBSA-N 0 0 303.383 3.311 20 10 DGCDRN COc1cccc(SCC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001557967554 1189095718 /nfs/dbraw/zinc/09/57/18/1189095718.db2.gz GNZTZAPUXDSSRE-LBPRGKRZSA-N 0 0 317.410 3.370 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H](C2CCC2)CC1 ZINC001558058367 1189101669 /nfs/dbraw/zinc/10/16/69/1189101669.db2.gz OIDVVHFFQUBMLK-HNNXBMFYSA-N 0 0 303.402 3.069 20 10 DGCDRN CSc1ccc(Cl)c(C(=O)NCc2cccc(O)c2O)c1 ZINC001558159221 1189107996 /nfs/dbraw/zinc/10/79/96/1189107996.db2.gz BTQHASGWLJPGGV-UHFFFAOYSA-N 0 0 323.801 3.403 20 10 DGCDRN CC[C@H](C(=O)NCc1cccc(O)c1O)c1ccc(F)cc1 ZINC001558161426 1189108583 /nfs/dbraw/zinc/10/85/83/1189108583.db2.gz NLGOGLRVZWJIBG-AWEZNQCLSA-N 0 0 303.333 3.047 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1cccc2[nH]ccc21 ZINC001558756939 1189146240 /nfs/dbraw/zinc/14/62/40/1189146240.db2.gz IKETVZZMTUDTPC-UHFFFAOYSA-N 0 0 300.745 3.457 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@H]1CC(=O)c2ccccc21 ZINC001558757521 1189146319 /nfs/dbraw/zinc/14/63/19/1189146319.db2.gz IBJARSYQLGTDRB-ZDUSSCGKSA-N 0 0 315.756 3.032 20 10 DGCDRN O=[N+]([O-])c1ccc2[nH]c(NCc3cc(Cl)ccc3O)nc2c1 ZINC001559231286 1189183986 /nfs/dbraw/zinc/18/39/86/1189183986.db2.gz NJZGJKBDBMBJID-UHFFFAOYSA-N 0 0 318.720 3.442 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1cn2ccccc2n1 ZINC001560251636 1189299511 /nfs/dbraw/zinc/29/95/11/1189299511.db2.gz XNYVRLKIVAUOPG-UHFFFAOYSA-N 0 0 305.740 3.122 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1nccn1C(F)F ZINC001560295159 1189307456 /nfs/dbraw/zinc/30/74/56/1189307456.db2.gz ODKVFRYEFRJCBM-UHFFFAOYSA-N 0 0 305.687 3.066 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1nc2ccccc2n1C ZINC001560348918 1189315754 /nfs/dbraw/zinc/31/57/54/1189315754.db2.gz QPCFHCWFUZAZLQ-SNVBAGLBSA-N 0 0 317.339 3.408 20 10 DGCDRN COC[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccc(F)cc1 ZINC001560355359 1189316679 /nfs/dbraw/zinc/31/66/79/1189316679.db2.gz WXABIEGASYSUFU-OAHLLOKOSA-N 0 0 311.303 3.287 20 10 DGCDRN CC(=O)N(C)c1ccc(NCc2cc(Cl)cc(F)c2O)cn1 ZINC001560510456 1189334487 /nfs/dbraw/zinc/33/44/87/1189334487.db2.gz WJOIYIBSDXCAKS-UHFFFAOYSA-N 0 0 323.755 3.175 20 10 DGCDRN C[C@H]1CN(Cc2ccc(Cl)cc2O)C[C@@H](C(F)(F)F)O1 ZINC001560632892 1189352125 /nfs/dbraw/zinc/35/21/25/1189352125.db2.gz ZNSJXJVSZICILL-UFBFGSQYSA-N 0 0 309.715 3.197 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC001560671116 1189358026 /nfs/dbraw/zinc/35/80/26/1189358026.db2.gz SNIUBYAPODOCQA-LRDDRELGSA-N 0 0 323.339 3.352 20 10 DGCDRN COC(=O)c1ccc(NCc2ccc(Cl)cc2O)c(OC)c1 ZINC001560760743 1189376907 /nfs/dbraw/zinc/37/69/07/1189376907.db2.gz PQHBYPUBBAHLEE-UHFFFAOYSA-N 0 0 321.760 3.453 20 10 DGCDRN CC(C)C[N@H+](Cc1cnn(C)c1)Cc1cc(F)c(F)cc1[O-] ZINC001560873622 1189397415 /nfs/dbraw/zinc/39/74/15/1189397415.db2.gz VPMQWMNXDNCWOB-UHFFFAOYSA-N 0 0 309.360 3.062 20 10 DGCDRN CC[C@@H]1CN(Cc2cc(F)c(N(C)C)cc2F)[C@H](CC)CO1 ZINC001560919315 1189405811 /nfs/dbraw/zinc/40/58/11/1189405811.db2.gz AJVVBQQREWRBDE-ZIAGYGMSSA-N 0 0 312.404 3.420 20 10 DGCDRN C[C@H]1CN(Cc2ccc(Cl)cc2O)C[C@](C)(C(F)F)O1 ZINC001560938363 1189408622 /nfs/dbraw/zinc/40/86/22/1189408622.db2.gz CLYPNVZPGQAPQU-LKFCYVNXSA-N 0 0 305.752 3.290 20 10 DGCDRN Oc1cccc2c1CN(Cc1cc(Br)cnc1F)C2 ZINC001560977557 1189414793 /nfs/dbraw/zinc/41/47/93/1189414793.db2.gz DUEYEYXPOAGISE-UHFFFAOYSA-N 0 0 323.165 3.205 20 10 DGCDRN Oc1cc(F)c(F)cc1CN[C@@H]1c2ccccc2OC[C@@H]1F ZINC001561006530 1189419568 /nfs/dbraw/zinc/41/95/68/1189419568.db2.gz UDWATOLFISJLNI-XJKSGUPXSA-N 0 0 309.287 3.232 20 10 DGCDRN CC[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])C(=O)OC(C)(C)C ZINC001561015144 1189420456 /nfs/dbraw/zinc/42/04/56/1189420456.db2.gz MGNVFWCFMOIIIN-SNVBAGLBSA-N 0 0 315.360 3.128 20 10 DGCDRN CCC(C)(C)CCS(=O)(=O)NCc1cccc(Cl)c1O ZINC001562008049 1189470336 /nfs/dbraw/zinc/47/03/36/1189470336.db2.gz JVEFDHYAVOQIHV-UHFFFAOYSA-N 0 0 319.854 3.291 20 10 DGCDRN Cc1cc(NC(=O)N(C)Cc2ccccc2O)cc(Cl)n1 ZINC001563307937 1189506621 /nfs/dbraw/zinc/50/66/21/1189506621.db2.gz LXABOQBBAAUVTQ-UHFFFAOYSA-N 0 0 305.765 3.413 20 10 DGCDRN CC(C)(CNC(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1 ZINC001564130325 1189553215 /nfs/dbraw/zinc/55/32/15/1189553215.db2.gz VNZNBMIPJJBZDO-UHFFFAOYSA-N 0 0 313.445 3.298 20 10 DGCDRN C[C@@H](NC(=O)NCc1cc(Cl)ccc1O)c1cccc(O)c1 ZINC001564551167 1189582640 /nfs/dbraw/zinc/58/26/40/1189582640.db2.gz JNAROLPRJABLKM-SNVBAGLBSA-N 0 0 320.776 3.312 20 10 DGCDRN CC(C)(C)c1ccc(CNC(=O)NCc2c(O)cccc2F)o1 ZINC001565218726 1189630798 /nfs/dbraw/zinc/63/07/98/1189630798.db2.gz WHMCPCYCNVDZPN-UHFFFAOYSA-N 0 0 320.364 3.421 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@]23C[C@H]2CCC3)cc1F ZINC001565687950 1189663784 /nfs/dbraw/zinc/66/37/84/1189663784.db2.gz DGVHQLUSRCUJAU-RDTXWAMCSA-N 0 0 304.409 3.478 20 10 DGCDRN COc1cccc(CNC(=O)/C=C(/C)c2ccccc2C)c1O ZINC001566373865 1189766003 /nfs/dbraw/zinc/76/60/03/1189766003.db2.gz JDEQTHLTQFNSJY-KAMYIIQDSA-N 0 0 311.381 3.429 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(Cl)ccc2N)c1 ZINC001566374382 1189766059 /nfs/dbraw/zinc/76/60/59/1189766059.db2.gz GWKMZGBLVAJQJR-SECBINFHSA-N 0 0 320.776 3.127 20 10 DGCDRN C[C@@H](NC(=O)c1cc(C=O)ccc1F)c1ccc(N(C)C)cc1 ZINC001567777060 1190296467 /nfs/dbraw/zinc/29/64/67/1190296467.db2.gz ICPYXPIVVSEYFN-GFCCVEGCSA-N 0 0 314.360 3.195 20 10 DGCDRN C[C@@H](NC(=O)c1onc2ccccc21)c1ccc(N(C)C)cc1 ZINC001567778886 1190296544 /nfs/dbraw/zinc/29/65/44/1190296544.db2.gz LDTUDNQRDIQLTI-GFCCVEGCSA-N 0 0 309.369 3.385 20 10 DGCDRN CC(C)C[C@@H]([NH3+])CC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC001575631794 1191498254 /nfs/dbraw/zinc/49/82/54/1191498254.db2.gz UTNQNICVAKSQLF-LLVKDONJSA-N 0 0 319.232 3.079 20 10 DGCDRN CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc(N)cc1 ZINC001575631302 1191498327 /nfs/dbraw/zinc/49/83/27/1191498327.db2.gz IXSRXNNSIYIHDZ-CQSZACIVSA-N 0 0 322.405 3.114 20 10 DGCDRN CC1(C)C[C@H](C(=O)NCc2ccc(N)cc2)c2ccccc2O1 ZINC001576391197 1191581592 /nfs/dbraw/zinc/58/15/92/1191581592.db2.gz SOQFRLRPBYCTKY-INIZCTEOSA-N 0 0 310.397 3.230 20 10 DGCDRN CCn1nc(C)c(CN(CC(C)C)c2ccc(OC)cc2)n1 ZINC001618637167 1193746218 /nfs/dbraw/zinc/74/62/18/1193746218.db2.gz FNJQUPKCHKYRCN-UHFFFAOYSA-N 0 0 302.422 3.278 20 10 DGCDRN COc1ccccc1C[C@H](C)[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001621295439 1193827276 /nfs/dbraw/zinc/82/72/76/1193827276.db2.gz IOAXUPUFSNSQSB-NSHDSACASA-N 0 0 307.340 3.400 20 10 DGCDRN C[C@@H]1COCCN1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001621288470 1193827482 /nfs/dbraw/zinc/82/74/82/1193827482.db2.gz JCUAWQCLYRZCBN-QGZVFWFLSA-N 0 0 322.452 3.470 20 10 DGCDRN CC(C)c1ccc(O)c(CNc2cccc3c2OCC(=O)N3)c1 ZINC001621373877 1193834796 /nfs/dbraw/zinc/83/47/96/1193834796.db2.gz IACOOFAXOJTJBZ-UHFFFAOYSA-N 0 0 312.369 3.459 20 10 DGCDRN C[C@@H](C[N@H+](C)Cc1ccc(F)c(F)c1[O-])C(=O)OC(C)(C)C ZINC001621381534 1193835547 /nfs/dbraw/zinc/83/55/47/1193835547.db2.gz JPZOPUHVDHJHMW-JTQLQIEISA-N 0 0 315.360 3.080 20 10 DGCDRN Cc1ccc([C@@H](O)[C@H](C)[NH2+]Cc2cc(F)c(F)cc2[O-])cc1 ZINC001621411041 1193839294 /nfs/dbraw/zinc/83/92/94/1193839294.db2.gz PGVXTAMNYJHCCO-GTNSWQLSSA-N 0 0 307.340 3.191 20 10 DGCDRN Cc1cc(O)c(CN2c3ccccc3C[C@H]2CO)cc1Cl ZINC001621411995 1193839745 /nfs/dbraw/zinc/83/97/45/1193839745.db2.gz ASHAPUZHBHSUDM-AWEZNQCLSA-N 0 0 303.789 3.278 20 10 DGCDRN COc1ccccc1-n1nccc1CN1Cc2cccc(O)c2C1 ZINC001621491093 1193849204 /nfs/dbraw/zinc/84/92/04/1193849204.db2.gz WSIVMKMCIUKVJX-UHFFFAOYSA-N 0 0 321.380 3.102 20 10 DGCDRN O=C(CCc1ccc(C(F)F)cc1)NCc1ccc(O)c(O)c1 ZINC001622664408 1193908514 /nfs/dbraw/zinc/90/85/14/1193908514.db2.gz SOFWOCCZBGGHDK-UHFFFAOYSA-N 0 0 321.323 3.284 20 10 DGCDRN CC(C)(C)Cc1ncc(C(=O)NCc2ccccc2O)s1 ZINC001622772871 1193911233 /nfs/dbraw/zinc/91/12/33/1193911233.db2.gz LTPIYAFVRHNARQ-UHFFFAOYSA-N 0 0 304.415 3.367 20 10 DGCDRN Cc1ccc(Cl)cc1OCC(=O)NCc1ccccc1O ZINC001622772772 1193911634 /nfs/dbraw/zinc/91/16/34/1193911634.db2.gz GOCFLJLSLNIOEN-UHFFFAOYSA-N 0 0 305.761 3.049 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)Nc1ccc2c(c1)COC2 ZINC001623247772 1193924059 /nfs/dbraw/zinc/92/40/59/1193924059.db2.gz LZESQEVAWHFOGF-UHFFFAOYSA-N 0 0 318.760 3.398 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cnn(C2CC2)c1 ZINC001623549712 1193937942 /nfs/dbraw/zinc/93/79/42/1193937942.db2.gz IVFPSXHYOKIULH-UHFFFAOYSA-N 0 0 324.428 3.090 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cc(Cl)ccc2N)cc1F ZINC001627045604 1194069024 /nfs/dbraw/zinc/06/90/24/1194069024.db2.gz AALHEFIPTVIZDC-UHFFFAOYSA-N 0 0 321.783 3.057 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C)cc1F ZINC001627026664 1194107625 /nfs/dbraw/zinc/10/76/25/1194107625.db2.gz SFEVURSSSBRHIS-UHFFFAOYSA-N 0 0 308.349 3.255 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)NC/C=C\Cl)ccc21 ZINC001627375287 1194125221 /nfs/dbraw/zinc/12/52/21/1194125221.db2.gz ZCVOONYFGWPHOU-DAXSKMNVSA-N 0 0 320.820 3.387 20 10 DGCDRN O=C(NCc1ccc(F)cc1)c1cc2cc(O)c(O)cc2s1 ZINC001628281136 1194169949 /nfs/dbraw/zinc/16/99/49/1194169949.db2.gz SZWRTOOWTZQSGX-UHFFFAOYSA-N 0 0 317.341 3.382 20 10 DGCDRN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cc(Cl)ccc1O ZINC001628666397 1194190583 /nfs/dbraw/zinc/19/05/83/1194190583.db2.gz CHKBSVSLBZNKLH-UHFFFAOYSA-N 0 0 320.732 3.192 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C2(C3CC3)CC2)cc1F ZINC001628769872 1194195453 /nfs/dbraw/zinc/19/54/53/1194195453.db2.gz MWKZBULZEOUSEA-UHFFFAOYSA-N 0 0 304.409 3.478 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccc(-c3cnco3)cc2)c1 ZINC001629736452 1194250166 /nfs/dbraw/zinc/25/01/66/1194250166.db2.gz GUWVPYCUCRDWRL-UHFFFAOYSA-N 0 0 308.337 3.286 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H](C)Oc2ccc(F)c(F)c2)c1 ZINC001629736539 1194250678 /nfs/dbraw/zinc/25/06/78/1194250678.db2.gz JAHOOKWZPLGREK-LLVKDONJSA-N 0 0 321.323 3.063 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2c[nH]nc2-c2ccccc2)c1 ZINC001629736716 1194250682 /nfs/dbraw/zinc/25/06/82/1194250682.db2.gz NJDOZPIALQIHLX-UHFFFAOYSA-N 0 0 307.353 3.021 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1cc2c(cccc2C2CC2)[nH]1 ZINC001630272573 1194278169 /nfs/dbraw/zinc/27/81/69/1194278169.db2.gz BJOIQPHUDRDVNR-UHFFFAOYSA-N 0 0 322.364 3.387 20 10 DGCDRN CCSCc1ccccc1C(=O)NCc1ccc(O)cc1O ZINC001630302353 1194279495 /nfs/dbraw/zinc/27/94/95/1194279495.db2.gz YTTYFOHUYXBPCO-UHFFFAOYSA-N 0 0 317.410 3.281 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC[C@H]2CCCC23CC3)cc1F ZINC001630447720 1194287423 /nfs/dbraw/zinc/28/74/23/1194287423.db2.gz ONFYLKRYLIQPFH-CQSZACIVSA-N 0 0 319.424 3.271 20 10 DGCDRN Cc1cc(C)cc(N(C)C(=O)c2cccnc2-c2cnn(C)c2)c1 ZINC001630747028 1194301768 /nfs/dbraw/zinc/30/17/68/1194301768.db2.gz PAGSKKOOZZPMBS-UHFFFAOYSA-N 0 0 320.396 3.376 20 10 DGCDRN CCC[C@H](CC)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001631380974 1194331968 /nfs/dbraw/zinc/33/19/68/1194331968.db2.gz ROXUWHHQOABHCO-AWEZNQCLSA-N 0 0 322.424 3.309 20 10 DGCDRN CCCC[C@@H](O)CCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC001631439025 1194335255 /nfs/dbraw/zinc/33/52/55/1194335255.db2.gz SIXJAHBPSNJWCW-OAHLLOKOSA-N 0 0 319.445 3.219 20 10 DGCDRN Cc1cc(C(=O)NC2(C)COC2)c(C)n1-c1ccc(Cl)cc1 ZINC001631877153 1194359972 /nfs/dbraw/zinc/35/99/72/1194359972.db2.gz CPOIEIYTTLWHKR-UHFFFAOYSA-N 0 0 318.804 3.266 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(Br)o1)c1ccccc1O ZINC001632246163 1194378450 /nfs/dbraw/zinc/37/84/50/1194378450.db2.gz CFGGRYBBHFCCJK-MRVPVSSYSA-N 0 0 310.147 3.239 20 10 DGCDRN C[C@@H](NC(=O)c1ccc2c(c1)OC(F)(F)O2)c1ccccc1O ZINC001632247024 1194379115 /nfs/dbraw/zinc/37/91/15/1194379115.db2.gz RIVSCBYUESYUOD-SECBINFHSA-N 0 0 321.279 3.205 20 10 DGCDRN C[C@H](NC(=O)c1ccc(C(F)(F)F)nc1)c1ccccc1O ZINC001632250139 1194379283 /nfs/dbraw/zinc/37/92/83/1194379283.db2.gz LGRRROSIUTWJBU-VIFPVBQESA-N 0 0 310.275 3.297 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2c(Cl)cncc2Cl)c1 ZINC001633282759 1194429986 /nfs/dbraw/zinc/42/99/86/1194429986.db2.gz MTOFPZLKNQXTQL-UHFFFAOYSA-N 0 0 311.168 3.332 20 10 DGCDRN Cc1ccc(C(=O)N[C@H](C(F)F)C2CCCCC2)c(O)c1O ZINC001633316105 1194431891 /nfs/dbraw/zinc/43/18/91/1194431891.db2.gz HTIYOHVSEPJPNZ-LBPRGKRZSA-N 0 0 313.344 3.350 20 10 DGCDRN Cc1cc2occ(C(=O)NCc3cccc(O)c3O)c2cc1C ZINC001633515559 1194440568 /nfs/dbraw/zinc/44/05/68/1194440568.db2.gz GIFXRQNNPWJLGF-UHFFFAOYSA-N 0 0 311.337 3.391 20 10 DGCDRN Cc1ccc2c(CC(=O)NCc3c(O)cccc3F)c[nH]c2c1 ZINC001635360678 1194546721 /nfs/dbraw/zinc/54/67/21/1194546721.db2.gz QBCUOGRZUKGHCD-UHFFFAOYSA-N 0 0 312.344 3.180 20 10 DGCDRN Cc1csc(CNC(=O)NCc2cc(Cl)ccc2O)c1 ZINC001635395076 1194549168 /nfs/dbraw/zinc/54/91/68/1194549168.db2.gz ZNVBJEBLWFDJSE-UHFFFAOYSA-N 0 0 310.806 3.415 20 10 DGCDRN C[C@H](NC(=O)c1ccccc1-n1cccn1)c1ccccc1O ZINC001635798836 1194572385 /nfs/dbraw/zinc/57/23/85/1194572385.db2.gz DJSWYSZZDJABDE-ZDUSSCGKSA-N 0 0 307.353 3.069 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccccc1O ZINC001635793925 1194572793 /nfs/dbraw/zinc/57/27/93/1194572793.db2.gz NZQUJFOKULDGRV-CQSZACIVSA-N 0 0 321.380 3.128 20 10 DGCDRN O=C(NCc1c(O)cccc1O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC001635846998 1194575591 /nfs/dbraw/zinc/57/55/91/1194575591.db2.gz GBUHZLFFCPRRIY-HZSPNIEDSA-N 0 0 303.402 3.321 20 10 DGCDRN C[C@@H]1CC(=O)CC[C@H]1C(=O)NCc1c(O)ccc2ccccc21 ZINC001635965317 1194582164 /nfs/dbraw/zinc/58/21/64/1194582164.db2.gz VNASLQHOCCZDOT-IUODEOHRSA-N 0 0 311.381 3.167 20 10 DGCDRN CC(C)n1ccc(CC(=O)NCc2c(O)ccc3ccccc32)n1 ZINC001635968517 1194582177 /nfs/dbraw/zinc/58/21/77/1194582177.db2.gz CXVMLCFPTPTBDH-UHFFFAOYSA-N 0 0 323.396 3.182 20 10 DGCDRN C[C@H](CC(=O)NCc1c(O)ccc2ccccc21)c1cnn(C)c1 ZINC001635969770 1194583234 /nfs/dbraw/zinc/58/32/34/1194583234.db2.gz XDZRVOJSHJBCNK-CYBMUJFWSA-N 0 0 323.396 3.089 20 10 DGCDRN O=C(NCc1c(O)cccc1F)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC001636314716 1194605896 /nfs/dbraw/zinc/60/58/96/1194605896.db2.gz WNNCMPSABQMPPX-QWHCGFSZSA-N 0 0 306.381 3.299 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCc1cccc(F)c1F ZINC001637370389 1194666350 /nfs/dbraw/zinc/66/63/50/1194666350.db2.gz DYRGXWPUJKIBAC-UHFFFAOYSA-N 0 0 306.312 3.012 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCc1ccc2cccnc2c1 ZINC001637611402 1194677746 /nfs/dbraw/zinc/67/77/46/1194677746.db2.gz RUAHASIFEXSJBY-UHFFFAOYSA-N 0 0 321.380 3.282 20 10 DGCDRN CCc1ccc(O)c(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001637655517 1194680968 /nfs/dbraw/zinc/68/09/68/1194680968.db2.gz YSJQGRPHKRYQPE-UHFFFAOYSA-N 0 0 312.329 3.369 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc(Cl)[nH]1 ZINC001638244432 1194708438 /nfs/dbraw/zinc/70/84/38/1194708438.db2.gz WEGIJCOZEPHRCS-LBPRGKRZSA-N 0 0 319.836 3.404 20 10 DGCDRN COc1ccc2cc(C(=O)NCc3ccc(O)cc3O)ccc2c1 ZINC001638347807 1194713313 /nfs/dbraw/zinc/71/33/13/1194713313.db2.gz LARPKZZSSKOWMM-UHFFFAOYSA-N 0 0 323.348 3.190 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)C1(c2ccc(Cl)cc2)CC1 ZINC001638352207 1194713389 /nfs/dbraw/zinc/71/33/89/1194713389.db2.gz LXGQSODSZYYUIS-UHFFFAOYSA-N 0 0 317.772 3.099 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cnc(C2CC2)[nH]1 ZINC001639384427 1194762233 /nfs/dbraw/zinc/76/22/33/1194762233.db2.gz JXNJSYIULJEBKI-UHFFFAOYSA-N 0 0 307.353 3.076 20 10 DGCDRN CSc1ccc(/C=C/C(=O)NCc2ccc(O)cc2O)s1 ZINC001639444666 1194766685 /nfs/dbraw/zinc/76/66/85/1194766685.db2.gz VBURALHUGHLBHP-GQCTYLIASA-N 0 0 321.423 3.211 20 10 DGCDRN O=[N+]([O-])c1ccc2nc(NCc3cc(O)ccc3O)sc2c1 ZINC001640355308 1194808062 /nfs/dbraw/zinc/80/80/62/1194808062.db2.gz WJLKPZWHLQQNLH-UHFFFAOYSA-N 0 0 317.326 3.228 20 10 DGCDRN COc1cccc([C@H](C)C(=O)NCc2cccc(Cl)c2O)c1 ZINC001640402610 1194811205 /nfs/dbraw/zinc/81/12/05/1194811205.db2.gz WGJKFDUYCIUFCM-NSHDSACASA-N 0 0 319.788 3.474 20 10 DGCDRN CCOc1ccc(C(=O)NCc2cccc(Cl)c2O)cc1 ZINC001640401756 1194811336 /nfs/dbraw/zinc/81/13/36/1194811336.db2.gz DVTSKCIEJIRNLP-UHFFFAOYSA-N 0 0 305.761 3.374 20 10 DGCDRN C[C@H](Oc1cccc(F)c1)C(=O)NCc1cccc(Cl)c1O ZINC001640402354 1194811374 /nfs/dbraw/zinc/81/13/74/1194811374.db2.gz RCFBHEDLSNIANW-JTQLQIEISA-N 0 0 323.751 3.268 20 10 DGCDRN Cc1cnccc1/C=C\C(=O)NCc1cccc(Cl)c1O ZINC001640405268 1194811541 /nfs/dbraw/zinc/81/15/41/1194811541.db2.gz OSLMNWALJCDTHG-WAYWQWQTSA-N 0 0 302.761 3.079 20 10 DGCDRN O=C(/C=C/c1ccc(O)cc1)NCc1cccc(Cl)c1O ZINC001640404827 1194811549 /nfs/dbraw/zinc/81/15/49/1194811549.db2.gz IAFBEUFSCWGVPO-RMKNXTFCSA-N 0 0 303.745 3.081 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2c(C)c3ccccc3[nH]c2=O)c1 ZINC001640797009 1194828320 /nfs/dbraw/zinc/82/83/20/1194828320.db2.gz VZTVPWQQSNNNKI-UHFFFAOYSA-N 0 0 322.364 3.193 20 10 DGCDRN COc1cc(F)c(C(=O)NCc2cc(C)ccc2O)c(Cl)c1 ZINC001640800302 1194828541 /nfs/dbraw/zinc/82/85/41/1194828541.db2.gz LIGUDTBFDUJBDM-UHFFFAOYSA-N 0 0 323.751 3.432 20 10 DGCDRN CCc1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1OC ZINC001640860547 1194830781 /nfs/dbraw/zinc/83/07/81/1194830781.db2.gz PEADONSLNGELQX-UHFFFAOYSA-N 0 0 301.342 3.230 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1scnc1C(F)F ZINC001640924075 1194832991 /nfs/dbraw/zinc/83/29/91/1194832991.db2.gz GMLQPPHGNSGBHU-UHFFFAOYSA-N 0 0 318.732 3.370 20 10 DGCDRN CCc1cccc(OCC(=O)NCc2cc(Cl)ccc2O)c1 ZINC001640920916 1194833003 /nfs/dbraw/zinc/83/30/03/1194833003.db2.gz XOHPHCQJTSUVGH-UHFFFAOYSA-N 0 0 319.788 3.303 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H](c2ccccc2)C1 ZINC001641179785 1194842855 /nfs/dbraw/zinc/84/28/55/1194842855.db2.gz VECKNKRGHCTFEH-MRXNPFEDSA-N 0 0 311.381 3.047 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Cc2ccc(OC(F)F)cc2)c1 ZINC001641728579 1194868608 /nfs/dbraw/zinc/86/86/08/1194868608.db2.gz BZBIWIWJEMDMFZ-UHFFFAOYSA-N 0 0 321.323 3.161 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2Cc3ccc(Cl)cc32)c1 ZINC001641733407 1194869022 /nfs/dbraw/zinc/86/90/22/1194869022.db2.gz URNMAVVHBFUMKD-HNNXBMFYSA-N 0 0 301.773 3.310 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCc2ccc(Cl)cc21 ZINC001641839493 1194874552 /nfs/dbraw/zinc/87/45/52/1194874552.db2.gz PNFAJALVHDILQC-AWEZNQCLSA-N 0 0 317.772 3.097 20 10 DGCDRN COC(=O)CN(CCC(C)(C)C)Cc1cc(Cl)ccc1O ZINC001642071938 1194886568 /nfs/dbraw/zinc/88/65/68/1194886568.db2.gz MPNLPGAUDVNHRW-UHFFFAOYSA-N 0 0 313.825 3.457 20 10 DGCDRN CN(C(=O)/C=C/c1ccc(O)c(O)c1)c1cccc2cc[nH]c21 ZINC001642383394 1194906691 /nfs/dbraw/zinc/90/66/91/1194906691.db2.gz QPIPCZMRVWFNMD-SOFGYWHQSA-N 0 0 308.337 3.255 20 10 DGCDRN COC(=O)Nc1cccc(C(=O)N[C@H](C)c2ccccc2O)c1 ZINC001642827656 1194943968 /nfs/dbraw/zinc/94/39/68/1194943968.db2.gz NTQGFUKKXNYRHD-LLVKDONJSA-N 0 0 314.341 3.062 20 10 DGCDRN Cc1ccc(CC(=O)NCc2ccc3cccnc3c2O)s1 ZINC001643283248 1195010947 /nfs/dbraw/zinc/01/09/47/1195010947.db2.gz MZIGHNKOLFAWQK-UHFFFAOYSA-N 0 0 312.394 3.169 20 10 DGCDRN O=[N+]([O-])c1ccc2[nH]c(NCc3cccc(Cl)c3O)nc2c1 ZINC001643298649 1195012616 /nfs/dbraw/zinc/01/26/16/1195012616.db2.gz SSGVUTSWUDGVSL-UHFFFAOYSA-N 0 0 318.720 3.442 20 10 DGCDRN Cc1cc(CNC(=O)c2cncc(O)c2)c(C)n1-c1ccccc1 ZINC001643370768 1195018738 /nfs/dbraw/zinc/01/87/38/1195018738.db2.gz WJAKKPYFWUNSON-UHFFFAOYSA-N 0 0 321.380 3.125 20 10 DGCDRN C[C@H](NC(=O)CCc1cc(F)ccc1F)c1ccccc1O ZINC001643742235 1195051573 /nfs/dbraw/zinc/05/15/73/1195051573.db2.gz VBCJTUVITYAECR-NSHDSACASA-N 0 0 305.324 3.480 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1ccccc1C(F)(F)F ZINC001643809336 1195055952 /nfs/dbraw/zinc/05/59/52/1195055952.db2.gz KLMIHZBCCGFZOX-UHFFFAOYSA-N 0 0 311.259 3.047 20 10 DGCDRN O=C(c1cncnc1-c1ccccc1)N1Cc2cccc(O)c2C1 ZINC001644088469 1195080190 /nfs/dbraw/zinc/08/01/90/1195080190.db2.gz WGHDDIYAEJJERQ-UHFFFAOYSA-N 0 0 317.348 3.005 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001644754514 1195131865 /nfs/dbraw/zinc/13/18/65/1195131865.db2.gz ZOOGLOFANYJNAK-HUUCEWRRSA-N 0 0 311.381 3.298 20 10 DGCDRN CC(C)(C)Oc1cccc(CNC(=O)c2cccc(O)c2O)c1 ZINC001644894451 1195140813 /nfs/dbraw/zinc/14/08/13/1195140813.db2.gz RELVWNUUCIRRBL-UHFFFAOYSA-N 0 0 315.369 3.205 20 10 DGCDRN O=C(CC[C@@H]1CCc2ccccc21)NCc1c(O)cccc1O ZINC001645362729 1195178459 /nfs/dbraw/zinc/17/84/59/1195178459.db2.gz AOTPNDLUWNAOBZ-AWEZNQCLSA-N 0 0 311.381 3.224 20 10 DGCDRN C[C@H](CN(C)Cc1ccccc1)[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001647042553 1195243826 /nfs/dbraw/zinc/24/38/26/1195243826.db2.gz KETHKRQRQQSYNF-CYBMUJFWSA-N 0 0 320.383 3.281 20 10 DGCDRN [O-]c1c(C[NH+]2CC(Cc3ccc(F)cc3)C2)ccc(F)c1F ZINC001647050631 1195244400 /nfs/dbraw/zinc/24/44/00/1195244400.db2.gz PQPNKHSKMSOMSU-UHFFFAOYSA-N 0 0 307.315 3.484 20 10 DGCDRN Cc1cc(Cl)c(C(=O)NCc2c(O)cccc2O)cc1C ZINC001647270862 1195247258 /nfs/dbraw/zinc/24/72/58/1195247258.db2.gz ZZZRZLOIUSIPMY-UHFFFAOYSA-N 0 0 305.761 3.298 20 10 DGCDRN CO[C@H](C(=O)NCc1c(O)ccc2ccccc21)C1CCCC1 ZINC001647794869 1195253171 /nfs/dbraw/zinc/25/31/71/1195253171.db2.gz RHDJBXBANPMHLU-SFHVURJKSA-N 0 0 313.397 3.367 20 10 DGCDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(Cl)c1O ZINC001647826892 1195256552 /nfs/dbraw/zinc/25/65/52/1195256552.db2.gz NXZXTVJWWACYKB-UHFFFAOYSA-N 0 0 320.732 3.192 20 10 DGCDRN COc1ccc(CN[C@H](CO)c2cc(F)ccc2F)cc1C ZINC001648617863 1195314853 /nfs/dbraw/zinc/31/48/53/1195314853.db2.gz XVUNGGPOYNQUDJ-MRXNPFEDSA-N 0 0 307.340 3.105 20 10 DGCDRN COc1ccc(C)cc1CC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001648728204 1195326530 /nfs/dbraw/zinc/32/65/30/1195326530.db2.gz ISPYOOMOYBJVNQ-UHFFFAOYSA-N 0 0 307.340 3.320 20 10 DGCDRN Cc1ccc(C(F)(F)C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC001650675136 1195370396 /nfs/dbraw/zinc/37/03/96/1195370396.db2.gz SNXNDVSRWBRUIX-UHFFFAOYSA-N 0 0 303.308 3.335 20 10 DGCDRN Cc1ccnc(NCc2ccc3cccnc3c2O)c1[N+](=O)[O-] ZINC001651160644 1195421583 /nfs/dbraw/zinc/42/15/83/1195421583.db2.gz ADGRPPBXCQAEMX-UHFFFAOYSA-N 0 0 310.313 3.164 20 10 DGCDRN Cc1nc(-c2cccnc2)nc(NCc2cc(O)ccc2O)c1C ZINC001651380772 1195451827 /nfs/dbraw/zinc/45/18/27/1195451827.db2.gz JLYGHHUUMFFFHM-UHFFFAOYSA-N 0 0 322.368 3.179 20 10 DGCDRN COc1ccc(N(C)CCN(C)c2ncc(Cl)s2)cc1 ZINC001652010216 1195535558 /nfs/dbraw/zinc/53/55/58/1195535558.db2.gz BLCMHNUYNUPEIY-UHFFFAOYSA-N 0 0 311.838 3.378 20 10 DGCDRN COc1ccc(N(C)Cc2ccnn2CC2CCC2)cc1F ZINC001652163968 1195556388 /nfs/dbraw/zinc/55/63/88/1195556388.db2.gz MNTYXCYZSBZTRJ-UHFFFAOYSA-N 0 0 303.381 3.467 20 10 DGCDRN Cc1ncoc1-c1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001652246844 1195568669 /nfs/dbraw/zinc/56/86/69/1195568669.db2.gz HAOWNTGSRSQFDS-UHFFFAOYSA-N 0 0 324.336 3.242 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cc2ccccc2cc1O ZINC001652295148 1195576745 /nfs/dbraw/zinc/57/67/45/1195576745.db2.gz BWTBUKHJTLJXAE-UHFFFAOYSA-N 0 0 311.312 3.320 20 10 DGCDRN CSCc1ccc(C(=O)NCc2c(O)cccc2F)cc1 ZINC001652295503 1195577407 /nfs/dbraw/zinc/57/74/07/1195577407.db2.gz LZGROEOPMFFGOW-UHFFFAOYSA-N 0 0 305.374 3.324 20 10 DGCDRN Oc1c(Cl)cccc1CNc1ncncc1Br ZINC001652315214 1195581070 /nfs/dbraw/zinc/58/10/70/1195581070.db2.gz AGJCEXUPAQXHLM-UHFFFAOYSA-N 0 0 314.570 3.210 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1c(F)cncc1F ZINC001652430118 1195596877 /nfs/dbraw/zinc/59/68/77/1195596877.db2.gz PBNVUQJZTOEYPA-ZETCQYMHSA-N 0 0 300.255 3.194 20 10 DGCDRN OCCCOc1ccc(NCc2ccc(Cl)cc2O)cc1 ZINC001652430377 1195597270 /nfs/dbraw/zinc/59/72/70/1195597270.db2.gz SKEJOPDIKSJMMC-UHFFFAOYSA-N 0 0 307.777 3.419 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1c[nH]cc1-c1ccccc1 ZINC001652622931 1195627258 /nfs/dbraw/zinc/62/72/58/1195627258.db2.gz KGJJMRCJQNHWFG-UHFFFAOYSA-N 0 0 308.337 3.023 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1ccc(F)c(C(F)F)c1 ZINC001652628836 1195628429 /nfs/dbraw/zinc/62/84/29/1195628429.db2.gz MFYBOXPMCFEQQN-UHFFFAOYSA-N 0 0 311.259 3.105 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1c(F)cc(F)cc1F ZINC001653567318 1195735504 /nfs/dbraw/zinc/73/55/04/1195735504.db2.gz UOWNDGOAEYLAMC-UHFFFAOYSA-N 0 0 315.678 3.393 20 10 DGCDRN COC(=O)COc1ccc(N(C)Cc2c(C)cccc2C)cc1 ZINC001654114177 1195775846 /nfs/dbraw/zinc/77/58/46/1195775846.db2.gz YNJYWYJHUQBTPR-UHFFFAOYSA-N 0 0 313.397 3.492 20 10 DGCDRN COc1ccc(N(CC(=O)NCC(C)(C)C)CC2CC2)cc1 ZINC001654495076 1195809063 /nfs/dbraw/zinc/80/90/63/1195809063.db2.gz HYKGAODDMFWGJE-UHFFFAOYSA-N 0 0 304.434 3.074 20 10 DGCDRN CCCCOC(=O)[C@H](C)N1CCCc2cc(OC)cc(OC)c21 ZINC001654741697 1195835548 /nfs/dbraw/zinc/83/55/48/1195835548.db2.gz MWKQJLLUOZHJNY-ZDUSSCGKSA-N 0 0 321.417 3.188 20 10 DGCDRN COc1ccc(N(CC(=O)NCC(C)(C)C)CC(C)C)cc1 ZINC001654767058 1195837460 /nfs/dbraw/zinc/83/74/60/1195837460.db2.gz JFGPNPBCMXXYFH-UHFFFAOYSA-N 0 0 306.450 3.320 20 10 DGCDRN C[C@@H](NS(=O)(=O)C1CCC(C)CC1)c1ccc(N(C)C)cc1 ZINC001655031499 1195867112 /nfs/dbraw/zinc/86/71/12/1195867112.db2.gz OFTPYDYXMIZWSI-XOYHFGRZSA-N 0 0 324.490 3.312 20 10 DGCDRN Cc1cc(CN[C@H](CO)c2cc(F)ccc2F)ccc1N(C)C ZINC001655092841 1195874975 /nfs/dbraw/zinc/87/49/75/1195874975.db2.gz NKRHGAMPRMKIPH-QGZVFWFLSA-N 0 0 320.383 3.162 20 10 DGCDRN CC[C@@H](O)CN(Cc1ccccc1)c1ccc(OC)c(OC)c1 ZINC001655148761 1195883008 /nfs/dbraw/zinc/88/30/08/1195883008.db2.gz RAWLGBYUHGZWFQ-QGZVFWFLSA-N 0 0 315.413 3.481 20 10 DGCDRN COCCOc1ccccc1CNc1ccc2c(c1)ncn2C ZINC001655819565 1195966591 /nfs/dbraw/zinc/96/65/91/1195966591.db2.gz BQXMIOXIYQAWDR-UHFFFAOYSA-N 0 0 311.385 3.211 20 10 DGCDRN O=C1CCCN1c1cccc(NCc2cc(F)cc(F)c2O)c1 ZINC001656120192 1196007073 /nfs/dbraw/zinc/00/70/73/1196007073.db2.gz IVTFUJJYXJEHMK-UHFFFAOYSA-N 0 0 318.323 3.409 20 10 DGCDRN C[C@@H](COc1ccc(F)cc1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001656417820 1196037591 /nfs/dbraw/zinc/03/75/91/1196037591.db2.gz DEYARPMJTURWIU-JTQLQIEISA-N 0 0 311.303 3.367 20 10 DGCDRN CCCc1ccccc1S(=O)(=O)N[C@H](C)c1ccccc1O ZINC001656462878 1196042721 /nfs/dbraw/zinc/04/27/21/1196042721.db2.gz JUPMJUAAFPPVBD-CYBMUJFWSA-N 0 0 319.426 3.384 20 10 DGCDRN COc1cccc2c1CC[C@H]2[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001656773108 1196070586 /nfs/dbraw/zinc/07/05/86/1196070586.db2.gz LJIBZMKBGWGQMX-OAHLLOKOSA-N 0 0 314.341 3.086 20 10 DGCDRN Cc1cccc(NCc2ccc(N3CCN(C)CC3)c(F)c2)c1 ZINC001656849474 1196075864 /nfs/dbraw/zinc/07/58/64/1196075864.db2.gz BBPMBKPMOHASAZ-UHFFFAOYSA-N 0 0 313.420 3.498 20 10 DGCDRN CC(C)c1ccc(O)c(CN2CCO[C@@H](C(F)(F)F)C2)c1 ZINC001657297101 1196128063 /nfs/dbraw/zinc/12/80/63/1196128063.db2.gz KOJGXTVSWXXGBY-CQSZACIVSA-N 0 0 303.324 3.279 20 10 DGCDRN CC(C)C[C@@H](CN1CCCC1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001657413412 1196139367 /nfs/dbraw/zinc/13/93/67/1196139367.db2.gz NIVYHKHYERZCEB-HNNXBMFYSA-N 0 0 312.404 3.271 20 10 DGCDRN COc1ccc(N(Cc2cnsn2)Cc2ccco2)cc1F ZINC001657567125 1196155710 /nfs/dbraw/zinc/15/57/10/1196155710.db2.gz RJZGEXPJOMGZIV-UHFFFAOYSA-N 0 0 319.361 3.486 20 10 DGCDRN CN(C)c1cccc(C[NH2+]Cc2ccc(N3CCCC3)cc2)n1 ZINC001657600035 1196158768 /nfs/dbraw/zinc/15/87/68/1196158768.db2.gz CAZSHQYKYYGJBO-UHFFFAOYSA-N 0 0 310.445 3.038 20 10 DGCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC001657602962 1196159951 /nfs/dbraw/zinc/15/99/51/1196159951.db2.gz PATPTCQAJURIRE-CLLJXQQHSA-N 0 0 323.820 3.067 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@H](c1ccccc1)N(C)C ZINC001657843723 1196184094 /nfs/dbraw/zinc/18/40/94/1196184094.db2.gz KMODOHWILSFSAY-SJKOYZFVSA-N 0 0 320.383 3.451 20 10 DGCDRN COc1cc(C)c(CNc2ccc(C(=O)N(C)C)cc2)c(O)c1 ZINC001657935602 1196194954 /nfs/dbraw/zinc/19/49/54/1196194954.db2.gz OBXSNHLLDGEQMW-UHFFFAOYSA-N 0 0 314.385 3.023 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]Cc2cccc3ncccc23)c1 ZINC001657945893 1196195438 /nfs/dbraw/zinc/19/54/38/1196195438.db2.gz OMQVMMYCFJDUDR-UHFFFAOYSA-N 0 0 309.325 3.138 20 10 DGCDRN CN(C)c1ccc(/C=C\CN2c3ccccc3C[C@@H]2CO)cc1 ZINC001658440463 1196255997 /nfs/dbraw/zinc/25/59/97/1196255997.db2.gz HMRCBYSDVDRGPG-SFFCAUCYSA-N 0 0 308.425 3.189 20 10 DGCDRN COc1ccc(N(C)Cc2ccc(Br)nc2)cc1 ZINC001658491306 1196264070 /nfs/dbraw/zinc/26/40/70/1196264070.db2.gz SKTGNFSJUJFOID-UHFFFAOYSA-N 0 0 307.191 3.489 20 10 DGCDRN C[C@@H](CN1CCC(C)CC1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC001658550636 1196273687 /nfs/dbraw/zinc/27/36/87/1196273687.db2.gz VDAQJOSZEVGOCX-LBPRGKRZSA-N 0 0 314.832 3.395 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@H](O)C[C@@H]1c1ccccc1 ZINC001658675769 1196287767 /nfs/dbraw/zinc/28/77/67/1196287767.db2.gz OMRUVLHAGQEBEG-WMLDXEAASA-N 0 0 319.351 3.368 20 10 DGCDRN COC(=O)c1cc(CN(C)c2ccc(OC)c(Cl)c2)[nH]c1C ZINC001658807680 1196303933 /nfs/dbraw/zinc/30/39/33/1196303933.db2.gz XQZMDWOMOIIKBW-UHFFFAOYSA-N 0 0 322.792 3.408 20 10 DGCDRN COc1cc(CN(C)C/C=C/c2ccc(N(C)C)cc2)sn1 ZINC001658969504 1196326306 /nfs/dbraw/zinc/32/63/06/1196326306.db2.gz KJCRGDAEWXBALH-AATRIKPKSA-N 0 0 317.458 3.363 20 10 DGCDRN CCOC(=O)CCCCN1CCCc2cc(OC)cc(OC)c21 ZINC001659012600 1196331584 /nfs/dbraw/zinc/33/15/84/1196331584.db2.gz MOKOQJJGNBXDOO-UHFFFAOYSA-N 0 0 321.417 3.190 20 10 DGCDRN Cn1nccc1[C@@H]1CCCCN1Cc1cc(F)c(F)cc1O ZINC001659039969 1196335649 /nfs/dbraw/zinc/33/56/49/1196335649.db2.gz GKTPWDJPGGSMOW-HNNXBMFYSA-N 0 0 307.344 3.131 20 10 DGCDRN Cc1ccc(NC(=O)N2Cc3cccc(O)c3C2)c2n[nH]cc21 ZINC001659086476 1196342949 /nfs/dbraw/zinc/34/29/49/1196342949.db2.gz BUOYHIVFFDWXAA-UHFFFAOYSA-N 0 0 308.341 3.125 20 10 DGCDRN CC(C)n1ncnc1CN(C)Cc1ccc(N2CCCC2)cc1 ZINC001659141969 1196350664 /nfs/dbraw/zinc/35/06/64/1196350664.db2.gz VWLVTYMDPFNGHB-UHFFFAOYSA-N 0 0 313.449 3.091 20 10 DGCDRN COc1cccc2c1nc(NCc1cc(F)c(F)cc1O)n2C ZINC001659147944 1196352090 /nfs/dbraw/zinc/35/20/90/1196352090.db2.gz ANCQBEVCOITWJZ-UHFFFAOYSA-N 0 0 319.311 3.178 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@H]1CCO[C@@H](c2ccncc2)C1 ZINC001659239275 1196362598 /nfs/dbraw/zinc/36/25/98/1196362598.db2.gz DDXCYCKMCOBLJA-SUMWQHHRSA-N 0 0 320.339 3.075 20 10 DGCDRN CC(C)[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@@H](CO)C(C)C ZINC001659259589 1196364005 /nfs/dbraw/zinc/36/40/05/1196364005.db2.gz UOBOUFPLBWRVOR-SWLSCSKDSA-N 0 0 301.377 3.049 20 10 DGCDRN CCOC(=O)[C@H](C)N(Cc1cc(Cl)c(C)cc1O)C1CC1 ZINC001659477222 1196387649 /nfs/dbraw/zinc/38/76/49/1196387649.db2.gz PTPRABWSMRUBPX-NSHDSACASA-N 0 0 311.809 3.270 20 10 DGCDRN OCCOCc1ccc(NCc2ccc(Cl)cc2O)cc1 ZINC001659503733 1196390251 /nfs/dbraw/zinc/39/02/51/1196390251.db2.gz OEFQLWZOLKYJSD-UHFFFAOYSA-N 0 0 307.777 3.167 20 10 DGCDRN CC(C)[C@@H](C[NH2+]Cc1cc(F)ccc1O)C(=O)OC(C)(C)C ZINC001659542885 1196393617 /nfs/dbraw/zinc/39/36/17/1196393617.db2.gz UEVNFEOHTDNGIF-CQSZACIVSA-N 0 0 311.397 3.235 20 10 DGCDRN C[C@H](O)[C@@H]([NH2+]Cc1cc(F)c(F)cc1[O-])c1ccccc1F ZINC001659585951 1196397577 /nfs/dbraw/zinc/39/75/77/1196397577.db2.gz FYMDOMFYAUCWPE-XXFAHNHDSA-N 0 0 311.303 3.021 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)OCCC(C)C)CC2)cc1 ZINC001659651578 1196403101 /nfs/dbraw/zinc/40/31/01/1196403101.db2.gz QFTFYFVWGDIGGZ-UHFFFAOYSA-N 0 0 320.433 3.390 20 10 DGCDRN C[C@H]1CO[C@H](C(F)(F)F)CN1Cc1ccc(Cl)cc1O ZINC001659756723 1196411373 /nfs/dbraw/zinc/41/13/73/1196411373.db2.gz ZIIIYNULHKZYFI-UFBFGSQYSA-N 0 0 309.715 3.197 20 10 DGCDRN C[N@@H+](Cc1cc(F)cc(F)c1[O-])C[C@@H]1OCCc2ccccc21 ZINC001659831373 1196419429 /nfs/dbraw/zinc/41/94/29/1196419429.db2.gz ZRGXQAGSGHHJOW-KRWDZBQOSA-N 0 0 319.351 3.416 20 10 DGCDRN Cc1cc(O)c(CN2C[C@H](CO)c3ccccc32)c(Cl)c1 ZINC001659846884 1196421142 /nfs/dbraw/zinc/42/11/42/1196421142.db2.gz KWBPYCLPGJLMEM-GFCCVEGCSA-N 0 0 303.789 3.450 20 10 DGCDRN C[C@H]1CCCN(Cc2cccc(F)c2O)[C@@H]1C(=O)OC(C)(C)C ZINC001660080420 1196443454 /nfs/dbraw/zinc/44/34/54/1196443454.db2.gz GCQCTUKCFXFJKT-WFASDCNBSA-N 0 0 323.408 3.474 20 10 DGCDRN CCc1noc([C@H]2CC[C@H]([NH2+]Cc3ccc(Cl)cc3[O-])C2)n1 ZINC001660107622 1196445954 /nfs/dbraw/zinc/44/59/54/1196445954.db2.gz RPURGIBVUTUNLB-GWCFXTLKSA-N 0 0 321.808 3.417 20 10 DGCDRN Cc1csc([C@H]2CC[N@H+](Cc3cc(F)c(F)cc3[O-])C2)n1 ZINC001660653298 1196509252 /nfs/dbraw/zinc/50/92/52/1196509252.db2.gz NDVXFPITWCZCNY-JTQLQIEISA-N 0 0 310.369 3.425 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)OCCC(C)C)cc1 ZINC001662919458 1196772653 /nfs/dbraw/zinc/77/26/53/1196772653.db2.gz LKUJIKIGHRRLDN-UHFFFAOYSA-N 0 0 308.422 3.246 20 10 DGCDRN Cc1cccc(OCC[N@@H+](C)Cc2ccc(F)c(F)c2[O-])c1 ZINC001663850688 1196951407 /nfs/dbraw/zinc/95/14/07/1196951407.db2.gz NOEXLGAHWFXDBW-UHFFFAOYSA-N 0 0 307.340 3.490 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1nccc2c1CCCC2 ZINC001664190013 1196978570 /nfs/dbraw/zinc/97/85/70/1196978570.db2.gz NOJDPUBMWHGYFR-UHFFFAOYSA-N 0 0 323.440 3.425 20 10 DGCDRN COC(=O)Cc1cccc(NCc2c(C)cc(OC)cc2O)c1 ZINC001664256959 1196984499 /nfs/dbraw/zinc/98/44/99/1196984499.db2.gz ONRVQXWHXDKREP-UHFFFAOYSA-N 0 0 315.369 3.037 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1ccncc1-c1ccccc1 ZINC001664382254 1196993425 /nfs/dbraw/zinc/99/34/25/1196993425.db2.gz UZDTZAIQOGEKKV-UHFFFAOYSA-N 0 0 319.364 3.198 20 10 DGCDRN CCc1[nH]nc(Cl)c1CN(C)c1ccc(OC)c(OC)c1 ZINC001665101357 1197097990 /nfs/dbraw/zinc/09/79/90/1197097990.db2.gz CGUCLTDGAKCCGV-UHFFFAOYSA-N 0 0 309.797 3.279 20 10 DGCDRN Cc1cccc2nc(CC[NH2+]Cc3ccc(Cl)cc3[O-])cn21 ZINC001665173172 1197104908 /nfs/dbraw/zinc/10/49/08/1197104908.db2.gz FHKREVSVMXMPLS-UHFFFAOYSA-N 0 0 315.804 3.334 20 10 DGCDRN Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2ccc(Cl)cc2[O-])cn1 ZINC001665269855 1197116975 /nfs/dbraw/zinc/11/69/75/1197116975.db2.gz NJFVNISZZQXTMO-BBRMVZONSA-N 0 0 319.836 3.280 20 10 DGCDRN O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]Cc1c([O-])cccc1F ZINC001665713110 1197180092 /nfs/dbraw/zinc/18/00/92/1197180092.db2.gz XFWXUEYJRVMXFJ-UHFFFAOYSA-N 0 0 310.712 3.383 20 10 DGCDRN C[C@H](NC(=O)NCCc1cccc(F)c1)c1ccccc1O ZINC001667517910 1197355861 /nfs/dbraw/zinc/35/58/61/1197355861.db2.gz DGEMJUOYHQOBRA-LBPRGKRZSA-N 0 0 302.349 3.134 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CC2CCC1CC2 ZINC001668779017 1197429697 /nfs/dbraw/zinc/42/96/97/1197429697.db2.gz RKNGNZHLQGMKOO-JTTJXQCZSA-N 0 0 315.461 3.439 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CC2CCC1CC2 ZINC001668779016 1197429856 /nfs/dbraw/zinc/42/98/56/1197429856.db2.gz RKNGNZHLQGMKOO-JMLCCBQJSA-N 0 0 315.461 3.439 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H]1CC=CCC1 ZINC001669294281 1197447847 /nfs/dbraw/zinc/44/78/47/1197447847.db2.gz MPNOSDOSRJJXBU-WBVHZDCISA-N 0 0 315.461 3.400 20 10 DGCDRN O=C(N[C@H]1CSc2ccccc21)N1Cc2cccc(O)c2C1 ZINC001669389897 1197452184 /nfs/dbraw/zinc/45/21/84/1197452184.db2.gz LBWJLDAQZBTOIM-AWEZNQCLSA-N 0 0 312.394 3.264 20 10 DGCDRN Cc1cnccc1NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001670052513 1197517782 /nfs/dbraw/zinc/51/77/82/1197517782.db2.gz VNRBXGFTUATCEN-UHFFFAOYSA-N 0 0 324.428 3.076 20 10 DGCDRN C[C@@H](NC(=O)N1Cc2cccc(O)c2C1)c1cc2cnccc2o1 ZINC001675508348 1198082221 /nfs/dbraw/zinc/08/22/21/1198082221.db2.gz IKHKCGGEXFQOJI-LLVKDONJSA-N 0 0 323.352 3.320 20 10 DGCDRN C[C@H](NC(=O)N1Cc2cccc(O)c2C1)c1cc2cnccc2o1 ZINC001675508349 1198082736 /nfs/dbraw/zinc/08/27/36/1198082736.db2.gz IKHKCGGEXFQOJI-NSHDSACASA-N 0 0 323.352 3.320 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC23CCC3)cc1 ZINC001675533069 1198086090 /nfs/dbraw/zinc/08/60/90/1198086090.db2.gz UUUBTHTUDFSCRC-MRXNPFEDSA-N 0 0 301.434 3.275 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)NC[C@H]1Cc2ccccc21 ZINC001675660485 1198108462 /nfs/dbraw/zinc/10/84/62/1198108462.db2.gz FRYJFJUUDLQMRL-GFCCVEGCSA-N 0 0 316.788 3.185 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](C)C[C@H]1C ZINC001677378525 1198525602 /nfs/dbraw/zinc/52/56/02/1198525602.db2.gz YXKIUMJAGXCHIX-UKRRQHHQSA-N 0 0 303.450 3.391 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N[C@@H]3C[C@H]4CCC[C@H]43)ccc21 ZINC001677846858 1198594138 /nfs/dbraw/zinc/59/41/38/1198594138.db2.gz APRAFOHKLKVPBF-DJIMGWMZSA-N 0 0 313.445 3.057 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)Nc1cnc2ccccn12 ZINC001679064885 1198755894 /nfs/dbraw/zinc/75/58/94/1198755894.db2.gz QWZWJOPPHSSEPK-UHFFFAOYSA-N 0 0 316.748 3.015 20 10 DGCDRN C[C@H](NC(=O)NCc1c(O)cccc1F)c1ccc(F)c(F)c1 ZINC001679065315 1198756190 /nfs/dbraw/zinc/75/61/90/1198756190.db2.gz JJJXIZRICSRSRS-VIFPVBQESA-N 0 0 324.302 3.370 20 10 DGCDRN CC[C@@H](C)[C@@H](C)NC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001679436082 1198793563 /nfs/dbraw/zinc/79/35/63/1198793563.db2.gz UMKZEJCZYPVGEM-HUUCEWRRSA-N 0 0 321.465 3.207 20 10 DGCDRN CC[C@H](C)[C@H](C)NC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001679436081 1198793814 /nfs/dbraw/zinc/79/38/14/1198793814.db2.gz UMKZEJCZYPVGEM-GJZGRUSLSA-N 0 0 321.465 3.207 20 10 DGCDRN CCc1ccc(CCNC(=O)NCc2cc(C)ccc2O)cc1 ZINC001679456923 1198797616 /nfs/dbraw/zinc/79/76/16/1198797616.db2.gz DPQQIZVHAZHMJS-UHFFFAOYSA-N 0 0 312.413 3.305 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CCCC12CC2 ZINC001683237993 1199250821 /nfs/dbraw/zinc/25/08/21/1199250821.db2.gz BRFRLZQHMBLAPN-KRWDZBQOSA-N 0 0 314.429 3.403 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC001683295821 1199255602 /nfs/dbraw/zinc/25/56/02/1199255602.db2.gz QFQXGSHRKHWIOS-BJWYYQGGSA-N 0 0 313.445 3.227 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCC1=CCCCC1 ZINC001684305288 1199373628 /nfs/dbraw/zinc/37/36/28/1199373628.db2.gz CKSWUYQPPCEHIB-UHFFFAOYSA-N 0 0 301.434 3.361 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H]2CCc3ccccc32)c1 ZINC001684461545 1199386058 /nfs/dbraw/zinc/38/60/58/1199386058.db2.gz HNMCMQWNCDDNHP-HNNXBMFYSA-N 0 0 310.397 3.230 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H]2C[C@H]2C2CCCC2)c1 ZINC001685785173 1199507680 /nfs/dbraw/zinc/50/76/80/1199507680.db2.gz HGJMUYGMJIMMIL-HOCLYGCPSA-N 0 0 302.418 3.326 20 10 DGCDRN CCn1c(C(=O)NCc2cccc(OC)c2O)cc2ccccc21 ZINC000105650130 1199549676 /nfs/dbraw/zinc/54/96/76/1199549676.db2.gz QYMPLNTZOOWBOH-UHFFFAOYSA-N 0 0 324.380 3.305 20 10 DGCDRN O=C(NCCCc1ccccc1F)NCc1c(O)cccc1F ZINC001686344568 1199553216 /nfs/dbraw/zinc/55/32/16/1199553216.db2.gz FAHVTFDATBUVCR-UHFFFAOYSA-N 0 0 320.339 3.102 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1occc1N ZINC000313146440 1199759730 /nfs/dbraw/zinc/75/97/30/1199759730.db2.gz OMNVDHXBRAEGTO-UHFFFAOYSA-N 0 0 313.401 3.124 20 10 DGCDRN C[C@@H](NC(=O)Cc1ccc(N)cc1)c1nc(C(C)(C)C)cs1 ZINC000237640117 1202685619 /nfs/dbraw/zinc/68/56/19/1202685619.db2.gz WLJGLUKZQMOPJK-LLVKDONJSA-N 0 0 317.458 3.443 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)c3cccc(C)c3)CC2)cc1 ZINC000244414248 1203612222 /nfs/dbraw/zinc/61/22/22/1203612222.db2.gz YPUCQNNUBMFFQM-UHFFFAOYSA-N 0 0 324.424 3.356 20 10 DGCDRN C[N@H+](Cc1ccc(C(=O)[O-])cc1)Cc1cc(Cl)ccc1O ZINC000086724976 957977048 /nfs/dbraw/zinc/97/70/48/957977048.db2.gz BRCJGHPJXXFIJB-UHFFFAOYSA-N 0 0 305.761 3.376 20 10 DGCDRN Cc1cc(C[NH2+][C@@H](C(=O)[O-])C(C)C)ccc1N1CCCCC1 ZINC001574329488 960866437 /nfs/dbraw/zinc/86/64/37/960866437.db2.gz DILQTOLURSYARM-QGZVFWFLSA-N 0 0 304.434 3.184 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CCCC[C@H]1C(=O)[O-])c1ccc(N(C)C)cc1 ZINC000316310523 964001800 /nfs/dbraw/zinc/00/18/00/964001800.db2.gz KLVDBCIKEFEJKH-YSVLISHTSA-N 0 0 304.434 3.294 20 10 DGCDRN Cc1cccc([C@H]([NH2+]Cc2ccc(Cl)cc2O)C(=O)[O-])c1 ZINC001605328758 973188067 /nfs/dbraw/zinc/18/80/67/973188067.db2.gz DCVWXLXGLQICIP-HNNXBMFYSA-N 0 0 305.761 3.270 20 10 DGCDRN CC[C@@](C[NH2+]Cc1cccc(C)c1O)(C(=O)[O-])c1ccccc1 ZINC001595168073 979726786 /nfs/dbraw/zinc/72/67/86/979726786.db2.gz PBOUSHGQBLLGDH-IBGZPJMESA-N 0 0 313.397 3.223 20 10 DGCDRN CC[C@](C[NH2+]Cc1cccc(C)c1O)(C(=O)[O-])c1ccccc1 ZINC001595168074 979726801 /nfs/dbraw/zinc/72/68/01/979726801.db2.gz PBOUSHGQBLLGDH-LJQANCHMSA-N 0 0 313.397 3.223 20 10 DGCDRN CC[C@](C)(C(=O)[O-])[N@@H+](Cc1ccc(N(C)C)cc1)CC1CC1 ZINC001594787423 981819078 /nfs/dbraw/zinc/81/90/78/981819078.db2.gz DFZJOMHKZPYYFO-GOSISDBHSA-N 0 0 304.434 3.218 20 10 DGCDRN CC[C@H](C)C[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)C(=O)[O-] ZINC001594954323 982685753 /nfs/dbraw/zinc/68/57/53/982685753.db2.gz XUQHDADMHXJFKP-CABZTGNLSA-N 0 0 315.797 3.033 20 10 DGCDRN CC[C@@H](C)C[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)C(=O)[O-] ZINC001594954325 982685873 /nfs/dbraw/zinc/68/58/73/982685873.db2.gz XUQHDADMHXJFKP-SKDRFNHKSA-N 0 0 315.797 3.033 20 10 DGCDRN CCc1cccc(C[N@@H+]2CCc3ccccc3[C@H]2C(=O)[O-])c1O ZINC001597586209 988401638 /nfs/dbraw/zinc/40/16/38/988401638.db2.gz ASQKKMJEPOBSSZ-KRWDZBQOSA-N 0 0 311.381 3.139 20 10 DGCDRN C[C@@H](Oc1ccccc1C[NH2+][C@H](C)c1ccccc1O)C(=O)[O-] ZINC001593647928 995994781 /nfs/dbraw/zinc/99/47/81/995994781.db2.gz DWIKOTIZDVHQGA-CHWSQXEVSA-N 0 0 315.369 3.095 20 10 DGCDRN O=C(c1nc(Cl)sc1Cl)N1Cc2cccc(O)c2C1 ZINC001636230724 1194601284 /nfs/dbraw/zinc/60/12/84/1194601284.db2.gz GSFYFJOKDJQKGC-UHFFFAOYSA-N 0 0 315.181 3.312 20 10 DGCDRN O=C1CCCN(Cc2c(O)ccc(Cl)c2Cl)C[C@H]1F ZINC001237078759 1099958950 /nfs/dbraw/zinc/95/89/50/1099958950.db2.gz WOJZVZNLRYCWEP-SNVBAGLBSA-N 0 0 306.164 3.202 20 10 DGCDRN C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1c([O-])ccc(Cl)c1Cl ZINC001237078317 1099959807 /nfs/dbraw/zinc/95/98/07/1099959807.db2.gz PKKASFPHFNZABD-ZJUUUORDSA-N 0 0 304.217 3.292 20 10 DGCDRN Oc1ccc(CNc2cc(Cl)nc3cnccc32)cc1O ZINC001169992339 1081795896 /nfs/dbraw/zinc/79/58/96/1081795896.db2.gz CEUQAKUBEWGVIV-UHFFFAOYSA-N 0 0 301.733 3.307 20 10 DGCDRN Cc1nc(Cl)nc(NCc2ccc(O)c(O)c2)c1C1CC1 ZINC001169993098 1081799083 /nfs/dbraw/zinc/79/90/83/1081799083.db2.gz NBZDJCWIGXYORT-UHFFFAOYSA-N 0 0 305.765 3.339 20 10 DGCDRN O=[N+]([O-])c1c(NCc2ccc(O)c(O)c2)ccc2cnccc21 ZINC001169994551 1081815941 /nfs/dbraw/zinc/81/59/41/1081815941.db2.gz FHRYFDJLIIFWKQ-UHFFFAOYSA-N 0 0 311.297 3.166 20 10 DGCDRN O=[N+]([O-])c1cc(NCc2ccc(O)c(O)c2)cc2cccnc21 ZINC001169994819 1081816133 /nfs/dbraw/zinc/81/61/33/1081816133.db2.gz IUYMLDJUDSOIHX-UHFFFAOYSA-N 0 0 311.297 3.166 20 10 DGCDRN C[Si](C)(C)c1c(F)cccc1NCc1ccc(O)c(O)c1 ZINC001169995158 1081818462 /nfs/dbraw/zinc/81/84/62/1081818462.db2.gz QVBDQGJDTBOSJJ-UHFFFAOYSA-N 0 0 305.425 3.394 20 10 DGCDRN CC1(C)OCC[C@H]1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000693067611 1081904393 /nfs/dbraw/zinc/90/43/93/1081904393.db2.gz XFQVOUSOCPKXLG-NSHDSACASA-N 0 0 314.223 3.059 20 10 DGCDRN C[C@@H](NC(=O)c1ccncc1C(F)(F)F)c1ccccc1O ZINC001648889604 1081953947 /nfs/dbraw/zinc/95/39/47/1081953947.db2.gz DGTSYPFKQKAIDZ-SECBINFHSA-N 0 0 310.275 3.297 20 10 DGCDRN Cc1cnn(-c2ccc(C(=O)N[C@H](C)c3ccccc3O)cc2)c1 ZINC001648889677 1081954237 /nfs/dbraw/zinc/95/42/37/1081954237.db2.gz HKLYXIYZWTZNLI-CQSZACIVSA-N 0 0 321.380 3.377 20 10 DGCDRN Cc1nnc(-c2ccc(C(=O)N[C@@H](C)c3ccccc3O)cc2)o1 ZINC001648892310 1081955970 /nfs/dbraw/zinc/95/59/70/1081955970.db2.gz VIBASRHSONADRH-NSHDSACASA-N 0 0 323.352 3.242 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)Cc1ncc(F)cc1F ZINC001207103798 1082070777 /nfs/dbraw/zinc/07/07/77/1082070777.db2.gz XIZJHSGUKBGQOT-UHFFFAOYSA-N 0 0 305.372 3.448 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000588405439 1082150344 /nfs/dbraw/zinc/15/03/44/1082150344.db2.gz NRCLHUWCRNHVPV-VOUMOHMSSA-N 0 0 301.386 3.292 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(-c2ncc[nH]2)c1 ZINC000588406659 1082151522 /nfs/dbraw/zinc/15/15/22/1082151522.db2.gz CLGVUJPTQJLTSF-ALCCZGGFSA-N 0 0 321.336 3.140 20 10 DGCDRN CCOc1cc(C)ccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588405911 1082151685 /nfs/dbraw/zinc/15/16/85/1082151685.db2.gz ASZMEHQBIQXLHE-TWGQIWQCSA-N 0 0 313.353 3.457 20 10 DGCDRN Cc1cccc([C@@H](C)CNC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000588407327 1082154711 /nfs/dbraw/zinc/15/47/11/1082154711.db2.gz WNGGNDWYJLGINM-LEJCZOIISA-N 0 0 311.381 3.339 20 10 DGCDRN C[C@H](CN1CCC[C@H](C)C1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001648914138 1082335382 /nfs/dbraw/zinc/33/53/82/1082335382.db2.gz PVUGWYILPCLHCI-NWDGAFQWSA-N 0 0 314.832 3.395 20 10 DGCDRN Cc1ncsc1/C=C\C(=O)N1CCOc2c(F)cc(F)cc21 ZINC001130421491 1082579085 /nfs/dbraw/zinc/57/90/85/1082579085.db2.gz XCWGAZFDEZACQZ-IHWYPQMZSA-N 0 0 322.336 3.169 20 10 DGCDRN CCC(C)(C)CC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001130744345 1082610848 /nfs/dbraw/zinc/61/08/48/1082610848.db2.gz ACSGBFHWWJDHNV-UHFFFAOYSA-N 0 0 306.450 3.416 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000690783885 1082908835 /nfs/dbraw/zinc/90/88/35/1082908835.db2.gz YPICMJUKXPVRDT-RNCFNFMXSA-N 0 0 302.201 3.310 20 10 DGCDRN Cc1nc2c(o1)CCN(Cc1ccc(N(C)C)cc1Cl)C2 ZINC001140927669 1083190430 /nfs/dbraw/zinc/19/04/30/1083190430.db2.gz ZYCYLBOOSNZQIS-UHFFFAOYSA-N 0 0 305.809 3.261 20 10 DGCDRN Cc1cc(Br)cc(CN2CCC[C@@H](F)C2)c1O ZINC000689909020 1083456057 /nfs/dbraw/zinc/45/60/57/1083456057.db2.gz ZVQBMHCYEHKUHG-GFCCVEGCSA-N 0 0 302.187 3.397 20 10 DGCDRN Cc1noc([C@@H]2CCCCN2Cc2ccc(Cl)cc2O)n1 ZINC001181648000 1083505535 /nfs/dbraw/zinc/50/55/35/1083505535.db2.gz YREVADUVOHZYGL-ZDUSSCGKSA-N 0 0 307.781 3.464 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC001182162012 1083636597 /nfs/dbraw/zinc/63/65/97/1083636597.db2.gz WIZSRUJPGIPKNP-LBPRGKRZSA-N 0 0 322.330 3.178 20 10 DGCDRN O=C1CC[C@H](c2ccccc2NCc2cc(F)cc(F)c2O)N1 ZINC001183597123 1083984132 /nfs/dbraw/zinc/98/41/32/1083984132.db2.gz ISHVJZOJDYWGEH-OAHLLOKOSA-N 0 0 318.323 3.234 20 10 DGCDRN Cc1ccccc1-n1cc(C[NH2+]Cc2c([O-])cccc2F)cn1 ZINC001183919979 1084066994 /nfs/dbraw/zinc/06/69/94/1084066994.db2.gz RQPKNGGTJDBIDD-UHFFFAOYSA-N 0 0 311.360 3.315 20 10 DGCDRN O=C(CCCC1CCCCC1)NCCc1cc(O)c(O)cc1O ZINC001184225083 1084130169 /nfs/dbraw/zinc/13/01/69/1084130169.db2.gz RFQURGMNCUTCKK-UHFFFAOYSA-N 0 0 321.417 3.213 20 10 DGCDRN CN(C)c1ccc([C@@H](O)c2nc(-c3cccc(F)c3)no2)cc1 ZINC001211701360 1084225622 /nfs/dbraw/zinc/22/56/22/1084225622.db2.gz TVYZQXDJMOLLMB-OAHLLOKOSA-N 0 0 313.332 3.023 20 10 DGCDRN CCc1cc(N[C@H](C)c2cc(OC)ccc2O)nc(CC)n1 ZINC001185291046 1084405939 /nfs/dbraw/zinc/40/59/39/1084405939.db2.gz RXRHAHXRFGTVBX-LLVKDONJSA-N 0 0 301.390 3.489 20 10 DGCDRN Cc1cc(NS(=O)(=O)c2ccc(Cl)c(C)c2)ccc1O ZINC001185520242 1084461017 /nfs/dbraw/zinc/46/10/17/1084461017.db2.gz BJJKITPEPBZVLD-UHFFFAOYSA-N 0 0 311.790 3.463 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)c1cncc2[nH]ccc21 ZINC001271355182 1086586874 /nfs/dbraw/zinc/58/68/74/1086586874.db2.gz AHFTZQVQRSRAQQ-UHFFFAOYSA-N 0 0 313.704 3.005 20 10 DGCDRN CN(C)c1ccc(CNC(=O)/C=C\C=C(Cl)Cl)cc1F ZINC001625951470 1086848094 /nfs/dbraw/zinc/84/80/94/1086848094.db2.gz BXRDCCXLEFHURU-HYXAFXHYSA-N 0 0 317.191 3.383 20 10 DGCDRN C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1cc(F)c(F)cc1[O-] ZINC001142509079 1087274773 /nfs/dbraw/zinc/27/47/73/1087274773.db2.gz WIZFLSVNHXQZFI-UHFFFAOYSA-N 0 0 321.323 3.074 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH+]1CCC(c2ccncc2)CC1 ZINC001142520501 1087276136 /nfs/dbraw/zinc/27/61/36/1087276136.db2.gz KUEVOLSHTJYXIX-UHFFFAOYSA-N 0 0 304.340 3.445 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(NCc2ccn(C)c(=O)c2)cc1 ZINC001168403428 1087564431 /nfs/dbraw/zinc/56/44/31/1087564431.db2.gz PZMWGVCKVGRIBW-UHFFFAOYSA-N 0 0 307.397 3.405 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCc3ccsc3C2)cc1 ZINC001158382829 1087806218 /nfs/dbraw/zinc/80/62/18/1087806218.db2.gz SRJKQTAYTWQIJB-UHFFFAOYSA-N 0 0 314.370 3.109 20 10 DGCDRN Cc1ccn(-c2ccc(C(=O)N[C@H](C)c3ccccc3O)cc2)n1 ZINC001151886034 1087810599 /nfs/dbraw/zinc/81/05/99/1087810599.db2.gz RZWDRWZJABBOLK-CQSZACIVSA-N 0 0 321.380 3.377 20 10 DGCDRN Cc1nc2ccc(C(=O)NCc3c(C)cc(C)cc3O)cc2o1 ZINC001152121930 1087903239 /nfs/dbraw/zinc/90/32/39/1087903239.db2.gz RTYZGYUDPKQRDS-UHFFFAOYSA-N 0 0 310.353 3.389 20 10 DGCDRN O=C(c1cc(Cl)nc(Cl)c1)N1Cc2cccc(O)c2C1 ZINC001152565313 1088004779 /nfs/dbraw/zinc/00/47/79/1088004779.db2.gz KRIJNYUPHGMZLE-UHFFFAOYSA-N 0 0 309.152 3.250 20 10 DGCDRN C[C@H](CSC(F)(F)F)C(=O)N1Cc2cccc(O)c2C1 ZINC001152572656 1088006037 /nfs/dbraw/zinc/00/60/37/1088006037.db2.gz FEZLSBLIJZKDIU-MRVPVSSYSA-N 0 0 305.321 3.124 20 10 DGCDRN CCc1c(Cl)nnc(NCc2ccc(O)c(O)c2)c1CC ZINC001158995342 1088123333 /nfs/dbraw/zinc/12/33/33/1088123333.db2.gz DKBGBRUFFJPWIL-UHFFFAOYSA-N 0 0 307.781 3.278 20 10 DGCDRN Oc1ccc(CNc2nnc(Cl)c3ccccc32)cc1O ZINC001158994724 1088123540 /nfs/dbraw/zinc/12/35/40/1088123540.db2.gz SSCHUWHMITUJLI-UHFFFAOYSA-N 0 0 301.733 3.307 20 10 DGCDRN CC(C)(C)c1cc(Cl)nc(NCc2ccc(O)c(O)c2)n1 ZINC001158997374 1088125402 /nfs/dbraw/zinc/12/54/02/1088125402.db2.gz DZDLCPYSCQVJEP-UHFFFAOYSA-N 0 0 307.781 3.451 20 10 DGCDRN Oc1ccc(CNc2cc(F)cc3ncnc(Cl)c32)cc1O ZINC001158997377 1088125649 /nfs/dbraw/zinc/12/56/49/1088125649.db2.gz FNSWLDLZCIFGRJ-UHFFFAOYSA-N 0 0 319.723 3.446 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1nccc(Cl)c1F ZINC001159041672 1088155601 /nfs/dbraw/zinc/15/56/01/1088155601.db2.gz XJYGAGQWHAAGDA-UHFFFAOYSA-N 0 0 315.131 3.163 20 10 DGCDRN CSc1cccc(C(=O)NCc2cccc(Cl)c2O)n1 ZINC001159041106 1088156252 /nfs/dbraw/zinc/15/62/52/1088156252.db2.gz DBTLMIQWLKGWRA-UHFFFAOYSA-N 0 0 308.790 3.093 20 10 DGCDRN O=C(CNc1ccc2cc(F)ccc2n1)c1ccc(O)c(O)c1 ZINC001159276137 1088264498 /nfs/dbraw/zinc/26/44/98/1088264498.db2.gz FKFYEMLYOPMNDR-UHFFFAOYSA-N 0 0 312.300 3.080 20 10 DGCDRN Cc1nc2c(cccc2C(=O)NCc2c(C)cc(C)cc2O)[nH]1 ZINC001153616588 1088307552 /nfs/dbraw/zinc/30/75/52/1088307552.db2.gz RARVQEGCLNLEIE-UHFFFAOYSA-N 0 0 309.369 3.124 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1cc(C(F)F)ccc1F ZINC001153885128 1088394838 /nfs/dbraw/zinc/39/48/38/1088394838.db2.gz LEBIYDOAIDYNEG-UHFFFAOYSA-N 0 0 311.259 3.105 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1cc(Br)ccc1O ZINC000699863966 1088452966 /nfs/dbraw/zinc/45/29/66/1088452966.db2.gz KNKSUZIHAIFGSD-TVYUQYBPSA-N 0 0 314.223 3.230 20 10 DGCDRN CC[C@H]([NH2+][C@H]1COC[C@@H]1C)c1cc(Br)ccc1O ZINC000699863969 1088453894 /nfs/dbraw/zinc/45/38/94/1088453894.db2.gz KNKSUZIHAIFGSD-XDTLVQLUSA-N 0 0 314.223 3.230 20 10 DGCDRN Cc1ccc(C(=O)Nc2nc3cc(Cl)ccc3[nH]2)c(O)c1O ZINC001154232534 1088529001 /nfs/dbraw/zinc/52/90/01/1088529001.db2.gz QEDQTHNDRNVPJF-UHFFFAOYSA-N 0 0 317.732 3.188 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2cccc3c2C(=O)CC3)c(O)c1 ZINC001154408754 1088599553 /nfs/dbraw/zinc/59/95/53/1088599553.db2.gz AEXYIVPUEJAMQC-UHFFFAOYSA-N 0 0 309.365 3.068 20 10 DGCDRN Cc1cncnc1NCc1cc(Cl)c2cccnc2c1O ZINC001168524342 1088654521 /nfs/dbraw/zinc/65/45/21/1088654521.db2.gz ZJPOVGKTEWDYDY-UHFFFAOYSA-N 0 0 300.749 3.304 20 10 DGCDRN CCOC(=O)c1cncnc1NCc1cc2ccccc2cc1O ZINC001160206270 1088697218 /nfs/dbraw/zinc/69/72/18/1088697218.db2.gz KYILRQSSWJDBJM-UHFFFAOYSA-N 0 0 323.352 3.124 20 10 DGCDRN CCN(Cc1ccccc1O)c1ccnc(N2CCCCC2)n1 ZINC001154888642 1088810445 /nfs/dbraw/zinc/81/04/45/1088810445.db2.gz FWYFSESPRGRLDP-UHFFFAOYSA-N 0 0 312.417 3.199 20 10 DGCDRN CCN(Cc1ccccc1O)c1nccc(Cl)c1[N+](=O)[O-] ZINC001154889788 1088813144 /nfs/dbraw/zinc/81/31/44/1088813144.db2.gz HIJUPTUPWGYZLL-UHFFFAOYSA-N 0 0 307.737 3.375 20 10 DGCDRN CCN(Cc1ccccc1O)c1cc(C(=O)OC)c(Cl)cn1 ZINC001154889880 1088813961 /nfs/dbraw/zinc/81/39/61/1088813961.db2.gz KDCUTTOCRRAJFY-UHFFFAOYSA-N 0 0 320.776 3.254 20 10 DGCDRN CCN(Cc1ccccc1O)c1ncnc2c(OC)cccc21 ZINC001154889690 1088814895 /nfs/dbraw/zinc/81/48/95/1088814895.db2.gz DVEOLUDLESEAAE-UHFFFAOYSA-N 0 0 309.369 3.371 20 10 DGCDRN COC(=O)c1cc(Cl)cc(NCc2cccc(C)c2O)n1 ZINC001160764721 1088947565 /nfs/dbraw/zinc/94/75/65/1088947565.db2.gz LYJPKRSDVGJFBM-UHFFFAOYSA-N 0 0 306.749 3.148 20 10 DGCDRN Cc1cccc(CNC(F)(F)Oc2cccnc2Cl)c1O ZINC001160770166 1088950003 /nfs/dbraw/zinc/95/00/03/1088950003.db2.gz VIIGWWRWUZEVFB-UHFFFAOYSA-N 0 0 314.719 3.468 20 10 DGCDRN CCOCc1cnc(Cl)nc1NCc1cccc(C)c1O ZINC001160769586 1088950503 /nfs/dbraw/zinc/95/05/03/1088950503.db2.gz ITORQZJJQDJERH-UHFFFAOYSA-N 0 0 307.781 3.293 20 10 DGCDRN Cc1cccc(CNC(F)(F)c2cnc(Cl)c(N)c2)c1O ZINC001160770548 1088951967 /nfs/dbraw/zinc/95/19/67/1088951967.db2.gz ZFKRGAYGMYDMEX-UHFFFAOYSA-N 0 0 313.735 3.170 20 10 DGCDRN COC(=O)c1c(Cl)ccnc1NCc1c(C)cc(C)cc1O ZINC001160808621 1088974613 /nfs/dbraw/zinc/97/46/13/1088974613.db2.gz VJMBQPQUDKZDRW-UHFFFAOYSA-N 0 0 320.776 3.456 20 10 DGCDRN Cc1cc(C)c(CNc2ncnc3cc([N+](=O)[O-])ccc32)c(O)c1 ZINC001160810165 1088974659 /nfs/dbraw/zinc/97/46/59/1088974659.db2.gz LCPJRLRAWATRSL-UHFFFAOYSA-N 0 0 324.340 3.473 20 10 DGCDRN COC(=O)c1ccc(Cl)c(NCc2c(C)cc(C)cc2O)n1 ZINC001160810455 1088974929 /nfs/dbraw/zinc/97/49/29/1088974929.db2.gz QRAJAONYXVOTQM-UHFFFAOYSA-N 0 0 320.776 3.456 20 10 DGCDRN O=C(c1cc2cc(O)ccc2o1)N1CCc2cccc(O)c2C1 ZINC001155666192 1089206709 /nfs/dbraw/zinc/20/67/09/1089206709.db2.gz GSECJTGKERDKGF-UHFFFAOYSA-N 0 0 309.321 3.043 20 10 DGCDRN Oc1cc2c(cc1O)CN(c1nccc3scnc31)CCC2 ZINC001155941510 1089306194 /nfs/dbraw/zinc/30/61/94/1089306194.db2.gz QRGRZIOCFSHEON-UHFFFAOYSA-N 0 0 313.382 3.055 20 10 DGCDRN COc1ccnc(Cl)c1N1CCCc2cc(O)c(O)cc2C1 ZINC001155948910 1089307578 /nfs/dbraw/zinc/30/75/78/1089307578.db2.gz ZMGRYPAVOKQPAT-UHFFFAOYSA-N 0 0 320.776 3.108 20 10 DGCDRN CC(C)(C)c1ccc(N2CCCc3cc(O)c(O)cc3C2)nn1 ZINC001155945599 1089308743 /nfs/dbraw/zinc/30/87/43/1089308743.db2.gz XNQBPRAQHCZTMM-UHFFFAOYSA-N 0 0 313.401 3.138 20 10 DGCDRN COc1cccc2c(C(=O)NCc3c(O)cccc3F)coc21 ZINC001156170122 1089416571 /nfs/dbraw/zinc/41/65/71/1089416571.db2.gz HIEWJIIRTRFGLK-UHFFFAOYSA-N 0 0 315.300 3.216 20 10 DGCDRN CCCCCC(=O)NCCC1=CCN(c2cc(C)ncn2)CC1 ZINC001089803331 1089519843 /nfs/dbraw/zinc/51/98/43/1089519843.db2.gz JPHRKBGEHVADOX-UHFFFAOYSA-N 0 0 316.449 3.008 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001162277914 1089650074 /nfs/dbraw/zinc/65/00/74/1089650074.db2.gz DCFRONAUDNRBPC-LSDHHAIUSA-N 0 0 317.772 3.171 20 10 DGCDRN C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCc2c(O)cccc2O)o1 ZINC001156880988 1089729417 /nfs/dbraw/zinc/72/94/17/1089729417.db2.gz KXXYHKQSDVTJHY-AAEUAGOBSA-N 0 0 315.369 3.063 20 10 DGCDRN C[C@@H](SCc1ccccc1)C(=O)NCc1c(O)cccc1O ZINC001156881264 1089730362 /nfs/dbraw/zinc/73/03/62/1089730362.db2.gz WKFAKQPMRGVISZ-GFCCVEGCSA-N 0 0 317.410 3.036 20 10 DGCDRN CSc1nc(C)cc(N(C)Cc2ccc(N(C)C)cc2)n1 ZINC001156920830 1089744364 /nfs/dbraw/zinc/74/43/64/1089744364.db2.gz HLSITUWAEODZTM-UHFFFAOYSA-N 0 0 302.447 3.209 20 10 DGCDRN COC[C@@H](C)[C@@H](C)C(=O)NCc1c(O)ccc2ccccc21 ZINC001157041350 1089796314 /nfs/dbraw/zinc/79/63/14/1089796314.db2.gz FIVVHROBPWFLPO-CHWSQXEVSA-N 0 0 301.386 3.080 20 10 DGCDRN CCc1ccc(C(=O)NCc2ccc3cccnc3c2O)c(O)c1 ZINC001162612581 1089828368 /nfs/dbraw/zinc/82/83/68/1089828368.db2.gz MLAGLFRILNAUMA-UHFFFAOYSA-N 0 0 322.364 3.138 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)c1c[nH]cc1C1CC1 ZINC001162612593 1089828598 /nfs/dbraw/zinc/82/85/98/1089828598.db2.gz MRVHBLAUMSVRFG-UHFFFAOYSA-N 0 0 307.353 3.076 20 10 DGCDRN O=C(CCC1CC1)NCCC1=CCN(c2cccc(F)n2)CC1 ZINC001089823085 1089848136 /nfs/dbraw/zinc/84/81/36/1089848136.db2.gz WMRFLZDPMXJTMQ-UHFFFAOYSA-N 0 0 317.408 3.054 20 10 DGCDRN C[C@H]1C[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])CC[C@]1(C)O ZINC001236792623 1089863869 /nfs/dbraw/zinc/86/38/69/1089863869.db2.gz GEJONENKFSAQHU-XPTSAGLGSA-N 0 0 304.217 3.292 20 10 DGCDRN C[C@H]1CCCN(C(=O)c2ccc(NCc3ccc(N)cc3)nc2)C1 ZINC001162786972 1089957299 /nfs/dbraw/zinc/95/72/99/1089957299.db2.gz DMSBRKYTPLQFQZ-AWEZNQCLSA-N 0 0 324.428 3.148 20 10 DGCDRN Cc1nc(-c2ccccn2)nc(NCc2ccc(N)cc2)c1C ZINC001162786945 1089957831 /nfs/dbraw/zinc/95/78/31/1089957831.db2.gz DATZXHJXHQZBPM-UHFFFAOYSA-N 0 0 305.385 3.350 20 10 DGCDRN CSc1cc(F)ccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001162985189 1090046188 /nfs/dbraw/zinc/04/61/88/1090046188.db2.gz ZJXWCHNNSFLFSO-UHFFFAOYSA-N 0 0 307.346 3.140 20 10 DGCDRN Cc1cc(CC(=O)Nc2ncccn2)c(C)n1-c1ccccc1 ZINC001124625159 1090312565 /nfs/dbraw/zinc/31/25/65/1090312565.db2.gz APCBFAYFLLROHH-UHFFFAOYSA-N 0 0 306.369 3.065 20 10 DGCDRN Cc1ccccc1OCCC(=O)NCc1cc(Cl)ccc1O ZINC001165498562 1090525442 /nfs/dbraw/zinc/52/54/42/1090525442.db2.gz OAXIVRYIWMAULB-UHFFFAOYSA-N 0 0 319.788 3.439 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1cccc2cc[nH]c21 ZINC001165499288 1090525670 /nfs/dbraw/zinc/52/56/70/1090525670.db2.gz ZEDALVUGZGWMJW-UHFFFAOYSA-N 0 0 300.745 3.457 20 10 DGCDRN Cc1cccc(O[C@H](C)C(=O)NCc2cc(Cl)ccc2O)c1 ZINC001165499263 1090525734 /nfs/dbraw/zinc/52/57/34/1090525734.db2.gz YLRKAHZDKJTKOY-GFCCVEGCSA-N 0 0 319.788 3.438 20 10 DGCDRN Fc1cc(Cl)c(-c2noc(-c3csnn3)n2)cc1F ZINC001212362005 1090574777 /nfs/dbraw/zinc/57/47/77/1090574777.db2.gz JYOYAALLFZVABC-UHFFFAOYSA-N 0 0 300.677 3.187 20 10 DGCDRN Fc1ccc(C(F)(F)F)cc1-c1noc(-c2csnn2)n1 ZINC001212362194 1090575227 /nfs/dbraw/zinc/57/52/27/1090575227.db2.gz QBUVMCYBWZUFPZ-UHFFFAOYSA-N 0 0 316.239 3.413 20 10 DGCDRN FC(F)(F)Oc1cccc(-c2noc(-c3csnn3)n2)c1 ZINC001212362477 1090576399 /nfs/dbraw/zinc/57/63/99/1090576399.db2.gz WFTTZXRLNKROAI-UHFFFAOYSA-N 0 0 314.248 3.154 20 10 DGCDRN Cc1snnc1-c1nc(-c2cc(F)c(F)cc2Cl)no1 ZINC001212405474 1090626164 /nfs/dbraw/zinc/62/61/64/1090626164.db2.gz UOWBJWKQZLHLGT-UHFFFAOYSA-N 0 0 314.704 3.495 20 10 DGCDRN Cc1snnc1-c1nc(-c2ccc3c(c2)C(=O)CCC3)no1 ZINC001212405414 1090626215 /nfs/dbraw/zinc/62/62/15/1090626215.db2.gz SEWVIQAYDPAJSK-UHFFFAOYSA-N 0 0 312.354 3.083 20 10 DGCDRN CNc1ccccc1NCc1cc(OC)c(OC)c(OC)c1 ZINC001168673851 1090697027 /nfs/dbraw/zinc/69/70/27/1090697027.db2.gz ROHQXFOYOURVOI-UHFFFAOYSA-N 0 0 302.374 3.366 20 10 DGCDRN CSc1ccc(NC(=O)NCc2cccc(Cl)c2O)nc1 ZINC001203262941 1090709802 /nfs/dbraw/zinc/70/98/02/1090709802.db2.gz WJYDQEIZAVWAHA-UHFFFAOYSA-N 0 0 323.805 3.484 20 10 DGCDRN Oc1ccccc1C[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC001203555970 1090754143 /nfs/dbraw/zinc/75/41/43/1090754143.db2.gz LFSJJWZSZZFWAA-UHFFFAOYSA-N 0 0 301.361 3.015 20 10 DGCDRN Oc1ccccc1CN1CC[C@H](N2CCCCC2)C(F)(F)C1 ZINC001203562355 1090758055 /nfs/dbraw/zinc/75/80/55/1090758055.db2.gz JCHPSXJEUXHMQF-INIZCTEOSA-N 0 0 310.388 3.088 20 10 DGCDRN CC(=O)[C@@H]1CCCCN1Cc1cc(Br)ccc1O ZINC001203645490 1090772918 /nfs/dbraw/zinc/77/29/18/1090772918.db2.gz KYXPKYJKTHLRAZ-ZDUSSCGKSA-N 0 0 312.207 3.098 20 10 DGCDRN CCOC(=O)[C@H]1C[C@H](C)CCN1Cc1cc(Cl)ccc1O ZINC001203663980 1090775284 /nfs/dbraw/zinc/77/52/84/1090775284.db2.gz JLRLLISPOWZYII-BXUZGUMPSA-N 0 0 311.809 3.209 20 10 DGCDRN CCN(CC)c1ccc(CN2CC(F)(F)C[C@@]2(C)CO)cc1 ZINC001203940484 1090844243 /nfs/dbraw/zinc/84/42/43/1090844243.db2.gz NQTSXBPJFFHOEJ-INIZCTEOSA-N 0 0 312.404 3.125 20 10 DGCDRN O=C(Nc1cnccc1-c1ccccc1)c1cccc(O)c1O ZINC001138209099 1091117307 /nfs/dbraw/zinc/11/73/07/1091117307.db2.gz HORYQMDIHCFDLU-UHFFFAOYSA-N 0 0 306.321 3.412 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001292179633 1091135999 /nfs/dbraw/zinc/13/59/99/1091135999.db2.gz XMSWDJUAMQOLOF-RBUKOAKNSA-N 0 0 323.440 3.300 20 10 DGCDRN CN1CCCc2cc(CN3CCO[C@H](c4ccccn4)C3)ccc21 ZINC001138356644 1091150268 /nfs/dbraw/zinc/15/02/68/1091150268.db2.gz UIJCZJUFPPTFSI-FQEVSTJZSA-N 0 0 323.440 3.038 20 10 DGCDRN CCN(CC(=O)OC(C)(C)C)Cc1ccc2c(c1)CCCN2C ZINC001138356980 1091152449 /nfs/dbraw/zinc/15/24/49/1091152449.db2.gz WYFRPOAHDPHGIE-UHFFFAOYSA-N 0 0 318.461 3.233 20 10 DGCDRN Cc1c(N)c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)ccc1F ZINC001138362231 1091153390 /nfs/dbraw/zinc/15/33/90/1091153390.db2.gz BSUHAOCXCXXQLE-GFCCVEGCSA-N 0 0 315.392 3.273 20 10 DGCDRN CCN(CC)c1ccc(CN2CCOC[C@@H]2C(C)C)c(OC)c1 ZINC001138389233 1091162915 /nfs/dbraw/zinc/16/29/15/1091162915.db2.gz GVFNKLSJVYAHDE-GOSISDBHSA-N 0 0 320.477 3.398 20 10 DGCDRN CCN(CC)c1ccc(CN2Cc3cccnc3C2)c(OC)c1 ZINC001138387968 1091162997 /nfs/dbraw/zinc/16/29/97/1091162997.db2.gz MSGPMZYCPAFMAT-UHFFFAOYSA-N 0 0 311.429 3.452 20 10 DGCDRN CCN(CC)c1ccc(CN2CC(OC(C)C)C2)c(OC)c1 ZINC001138392469 1091166162 /nfs/dbraw/zinc/16/61/62/1091166162.db2.gz WWBXYKOCLSWIBO-UHFFFAOYSA-N 0 0 306.450 3.151 20 10 DGCDRN COc1ccc(N(C)Cc2ccc3[nH]c(=O)[nH]c3c2)cc1F ZINC001205360259 1091200079 /nfs/dbraw/zinc/20/00/79/1091200079.db2.gz QIZKNILJOSEVBJ-UHFFFAOYSA-N 0 0 301.321 3.053 20 10 DGCDRN COC(=O)CCc1ccc(NCc2cc(F)cc(F)c2O)cc1 ZINC001205374109 1091204865 /nfs/dbraw/zinc/20/48/65/1091204865.db2.gz TYMVJJNGYOSWQR-UHFFFAOYSA-N 0 0 321.323 3.388 20 10 DGCDRN Fc1ccc2c(c1)CN(Cc1ccc(N3CCOCC3)cc1)C2 ZINC001138499087 1091205759 /nfs/dbraw/zinc/20/57/59/1091205759.db2.gz UYQGILDBPOCKAF-UHFFFAOYSA-N 0 0 312.388 3.178 20 10 DGCDRN CCCc1noc([C@@H]2CCC[N@H+](Cc3c([O-])cccc3F)C2)n1 ZINC001137838456 1091214900 /nfs/dbraw/zinc/21/49/00/1091214900.db2.gz AJKDYEPRGLWRGJ-GFCCVEGCSA-N 0 0 319.380 3.246 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C(=O)C(C)(C)CC)cc1F ZINC001293224711 1091226663 /nfs/dbraw/zinc/22/66/63/1091226663.db2.gz FVVGSIVRULWMDK-UHFFFAOYSA-N 0 0 322.424 3.293 20 10 DGCDRN Oc1cccc2c1CN(Cc1ccnc(Br)c1)CC2 ZINC001138734562 1091307811 /nfs/dbraw/zinc/30/78/11/1091307811.db2.gz DPQPBILCTQPKMS-UHFFFAOYSA-N 0 0 319.202 3.108 20 10 DGCDRN COc1cccc(CNCc2c(Cl)ccnc2Cl)c1O ZINC001205677933 1091308670 /nfs/dbraw/zinc/30/86/70/1091308670.db2.gz KHNAYTSMIXTATR-UHFFFAOYSA-N 0 0 313.184 3.392 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1=CCCCCC1 ZINC001293954872 1091329646 /nfs/dbraw/zinc/32/96/46/1091329646.db2.gz ZFVBTJKKAVDMPN-UHFFFAOYSA-N 0 0 300.402 3.369 20 10 DGCDRN Cc1nocc1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001294671393 1091426411 /nfs/dbraw/zinc/42/64/11/1091426411.db2.gz IYGKHNRDMPSKPM-UHFFFAOYSA-N 0 0 312.325 3.124 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ccccc1-c1cn[nH]c1 ZINC001294673260 1091426493 /nfs/dbraw/zinc/42/64/93/1091426493.db2.gz ACDHCEXBMKIUFB-UHFFFAOYSA-N 0 0 307.353 3.055 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+](C)CCc1ccccc1 ZINC001139126285 1091457406 /nfs/dbraw/zinc/45/74/06/1091457406.db2.gz DOMHKLDHIYGCHX-UHFFFAOYSA-N 0 0 323.392 3.482 20 10 DGCDRN CCC[C@@H]1C[C@H]1n1c(C)nnc1N(C)Cc1ccccc1O ZINC001295026345 1091489918 /nfs/dbraw/zinc/48/99/18/1091489918.db2.gz RUMFUZRLYHJEJP-UKRRQHHQSA-N 0 0 300.406 3.290 20 10 DGCDRN C[C@]1(F)CCN(Cc2c(O)cccc2Br)C[C@H]1F ZINC001140098605 1091767765 /nfs/dbraw/zinc/76/77/65/1091767765.db2.gz HNOQUSOEDFXYBZ-OLZOCXBDSA-N 0 0 320.177 3.427 20 10 DGCDRN CCOC(=O)c1coc2c1CN(Cc1c(O)cccc1Cl)C2 ZINC001140342229 1091835262 /nfs/dbraw/zinc/83/52/62/1091835262.db2.gz YWMOCQWTYPLVIR-UHFFFAOYSA-N 0 0 321.760 3.331 20 10 DGCDRN COc1ccc(N2CCN(Cc3cccnc3C)CC2)c(C)c1 ZINC001207154126 1091864411 /nfs/dbraw/zinc/86/44/11/1091864411.db2.gz MCKMPPUUQICSEI-UHFFFAOYSA-N 0 0 311.429 3.029 20 10 DGCDRN Oc1cc(Cl)ccc1CN1CC[NH+](CC2CCCC2)CC1 ZINC001140466932 1091879144 /nfs/dbraw/zinc/87/91/44/1091879144.db2.gz MSMWTOWCNPUMKM-UHFFFAOYSA-N 0 0 308.853 3.353 20 10 DGCDRN CCC[N@H+](Cc1ccc(Cl)cc1[O-])C1CCN(C(C)=O)CC1 ZINC001140465420 1091879406 /nfs/dbraw/zinc/87/94/06/1091879406.db2.gz MUJZFGTXEVMSJR-UHFFFAOYSA-N 0 0 324.852 3.269 20 10 DGCDRN COc1cc(F)cc(CN2CCCc3cc(O)c(O)cc3C2)c1 ZINC001140484127 1091883280 /nfs/dbraw/zinc/88/32/80/1091883280.db2.gz LNHWCNHUJCAHPT-UHFFFAOYSA-N 0 0 317.360 3.194 20 10 DGCDRN O=C1c2ccccc2[C@@H]2C[N@H+](Cc3c([O-])cc(F)cc3F)C[C@H]12 ZINC001140583153 1091920184 /nfs/dbraw/zinc/92/01/84/1091920184.db2.gz XIHAABFVCFIQOW-KBPBESRZSA-N 0 0 315.319 3.082 20 10 DGCDRN C[N@@H+](Cc1c([O-])cc(F)cc1F)C[C@@H]1Cc2ccccc2O1 ZINC001140584676 1091920241 /nfs/dbraw/zinc/92/02/41/1091920241.db2.gz AXWBSTXNLPBSCS-ZDUSSCGKSA-N 0 0 305.324 3.106 20 10 DGCDRN Cc1ccc(O)c(CN2CC(Oc3ccc(F)c(F)c3)C2)c1 ZINC001140621246 1091934440 /nfs/dbraw/zinc/93/44/40/1091934440.db2.gz SIFFNXXUGYIVTD-UHFFFAOYSA-N 0 0 305.324 3.242 20 10 DGCDRN Cc1ccc(O)c(CN2CC[C@@H]2N(C)C(=O)OC(C)(C)C)c1 ZINC001140623372 1091935179 /nfs/dbraw/zinc/93/51/79/1091935179.db2.gz MZBIBTYKDYPQDM-OAHLLOKOSA-N 0 0 306.406 3.099 20 10 DGCDRN CN(Cc1ccsc1)Cc1ccc(N2CCOCC2)cc1F ZINC001140663474 1091950128 /nfs/dbraw/zinc/95/01/28/1091950128.db2.gz GBMQWPGSBZZSIV-UHFFFAOYSA-N 0 0 320.433 3.356 20 10 DGCDRN CN(Cc1cccs1)Cc1ccc(N2CCOCC2)cc1F ZINC001140661663 1091950465 /nfs/dbraw/zinc/95/04/65/1091950465.db2.gz NDOKDYZXQPAMNR-UHFFFAOYSA-N 0 0 320.433 3.356 20 10 DGCDRN CN(C)c1ccc(CN2CC[NH+](C3CCC3)CC2)c(Cl)c1 ZINC001140921615 1092062174 /nfs/dbraw/zinc/06/21/74/1092062174.db2.gz KOGSNTUPUWWMPF-UHFFFAOYSA-N 0 0 307.869 3.076 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cncc(Cl)c2)c1 ZINC001208057542 1092185645 /nfs/dbraw/zinc/18/56/45/1092185645.db2.gz SWDWHWDWEWPCQK-VIFPVBQESA-N 0 0 321.764 3.332 20 10 DGCDRN COc1cccc(CNC(=O)Nc2ccc3ccccc3n2)c1O ZINC001208064994 1092186378 /nfs/dbraw/zinc/18/63/78/1092186378.db2.gz BJMDDUFQLZIGLX-UHFFFAOYSA-N 0 0 323.352 3.271 20 10 DGCDRN C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1cccc(C2CC2)c1 ZINC001141451082 1092247604 /nfs/dbraw/zinc/24/76/04/1092247604.db2.gz NXMWAOODLVIBHA-LBPRGKRZSA-N 0 0 311.381 3.395 20 10 DGCDRN C[C@H](Sc1ccc(F)cc1)C(=O)NCc1ccccc1O ZINC001545681792 1092265169 /nfs/dbraw/zinc/26/51/69/1092265169.db2.gz CLERNKWOKOWKSZ-NSHDSACASA-N 0 0 305.374 3.328 20 10 DGCDRN CCOc1cc(N(CCO)c2ccc(N)cc2)ccc1Cl ZINC001212580245 1092316278 /nfs/dbraw/zinc/31/62/78/1092316278.db2.gz XISXOKJYCDTHIK-UHFFFAOYSA-N 0 0 306.793 3.451 20 10 DGCDRN CC(=O)c1ccc(NC(=O)C=Cc2ccc(O)c(O)c2)cc1C ZINC001141718785 1092321727 /nfs/dbraw/zinc/32/17/27/1092321727.db2.gz KEFRBOGCIYNJOK-YWEYNIOJSA-N 0 0 311.337 3.261 20 10 DGCDRN Oc1cccc2c1CN(Cc1nc(C(F)(F)F)cs1)CC2 ZINC001141764929 1092333975 /nfs/dbraw/zinc/33/39/75/1092333975.db2.gz CTJGZMXYQUWDGJ-UHFFFAOYSA-N 0 0 314.332 3.426 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2CCOCc1ccccc1 ZINC001168860279 1092402546 /nfs/dbraw/zinc/40/25/46/1092402546.db2.gz WMBPPAMSHZYCAA-UHFFFAOYSA-N 0 0 312.413 3.168 20 10 DGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)Cc2cccnc2)cc1 ZINC001142147946 1092422231 /nfs/dbraw/zinc/42/22/31/1092422231.db2.gz WFQJHRVKWQRULK-UHFFFAOYSA-N 0 0 317.392 3.440 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)Cc1ccncc1 ZINC001142186184 1092429712 /nfs/dbraw/zinc/42/97/12/1092429712.db2.gz ZNUAIFYLYWUORG-LJQANCHMSA-N 0 0 324.424 3.386 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@H](OCc2ccccc2)C1 ZINC001142520946 1092494750 /nfs/dbraw/zinc/49/47/50/1092494750.db2.gz RUUCSZYMQCLGSQ-HNNXBMFYSA-N 0 0 319.351 3.462 20 10 DGCDRN CN(c1ccc(CNC(=O)COC2CC2)cc1)C1CCCCC1 ZINC001142528387 1092494961 /nfs/dbraw/zinc/49/49/61/1092494961.db2.gz VUXMWYATEQGMJW-UHFFFAOYSA-N 0 0 316.445 3.251 20 10 DGCDRN CCc1ccsc1C(=O)NCc1ccc2cccnc2c1O ZINC001142727915 1092539078 /nfs/dbraw/zinc/53/90/78/1092539078.db2.gz HYHZIKMCASRKDL-UHFFFAOYSA-N 0 0 312.394 3.494 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)c1cc2ccsc2[nH]1 ZINC001142728505 1092539668 /nfs/dbraw/zinc/53/96/68/1092539668.db2.gz WBLFISXDZFYMTA-UHFFFAOYSA-N 0 0 323.377 3.413 20 10 DGCDRN COC(=O)COc1ccc(N(C)CC[C@@H]2C[C@H]2C2CC2)cc1 ZINC001169187263 1092577385 /nfs/dbraw/zinc/57/73/85/1092577385.db2.gz FZOCFXJGRGXYGN-PBHICJAKSA-N 0 0 303.402 3.111 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cc(Br)co1 ZINC001149871295 1092739474 /nfs/dbraw/zinc/73/94/74/1092739474.db2.gz FGLZGXJJFWHTMC-UHFFFAOYSA-N 0 0 310.147 3.020 20 10 DGCDRN CO[C@H]1C[C@H](NC(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1 ZINC001150170098 1092760371 /nfs/dbraw/zinc/76/03/71/1092760371.db2.gz HNGYGCOQNJANRU-WKILWMFISA-N 0 0 312.413 3.310 20 10 DGCDRN Cc1nc2ccccc2c(C)c1C(=O)NCc1ccc(O)c(O)c1 ZINC001150378076 1092774544 /nfs/dbraw/zinc/77/45/44/1092774544.db2.gz OGHRELBLWWVQBD-UHFFFAOYSA-N 0 0 322.364 3.193 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2cncs2)C1 ZINC001209550085 1092819531 /nfs/dbraw/zinc/81/95/31/1092819531.db2.gz IVXUORLMUHSORX-UHFFFAOYSA-N 0 0 313.426 3.202 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2cncc3ccccc32)c(O)c1 ZINC001150927838 1092841104 /nfs/dbraw/zinc/84/11/04/1092841104.db2.gz CPGYTLZAGULYIY-UHFFFAOYSA-N 0 0 306.365 3.487 20 10 DGCDRN Cc1cc(Cl)ncc1CN1CCCc2cc(O)c(O)cc2C1 ZINC001209634465 1092856745 /nfs/dbraw/zinc/85/67/45/1092856745.db2.gz SQGJPTGCNFEOTG-UHFFFAOYSA-N 0 0 318.804 3.403 20 10 DGCDRN Cc1nc2ccccn2c1CN1CCCc2cc(O)c(O)cc2C1 ZINC001209651745 1092862587 /nfs/dbraw/zinc/86/25/87/1092862587.db2.gz PTHUCEVHMWZVIX-UHFFFAOYSA-N 0 0 323.396 3.002 20 10 DGCDRN CC(=O)c1cc2c(cc1Nc1ccc3c(c1)OCCN3)OCO2 ZINC001209767088 1092911123 /nfs/dbraw/zinc/91/11/23/1092911123.db2.gz JHIKDYOIVCVCMX-UHFFFAOYSA-N 0 0 312.325 3.166 20 10 DGCDRN c1cnn(Cc2cccc(Nc3ccc4c(c3)OCCN4)c2)c1 ZINC001209766656 1092911400 /nfs/dbraw/zinc/91/14/00/1092911400.db2.gz RYTZNGKVYFQVNB-UHFFFAOYSA-N 0 0 306.369 3.479 20 10 DGCDRN CCOC(=O)Cc1cccc(Nc2ccc3c(c2)OCCN3)c1 ZINC001209788433 1092923496 /nfs/dbraw/zinc/92/34/96/1092923496.db2.gz DGZOJZKVPAXLIX-UHFFFAOYSA-N 0 0 312.369 3.340 20 10 DGCDRN COCCOc1ccc(Nc2ccc3c(c2)OCCN3)cc1F ZINC001209788520 1092923501 /nfs/dbraw/zinc/92/35/01/1092923501.db2.gz LOSIZPPEBQNFHF-UHFFFAOYSA-N 0 0 318.348 3.399 20 10 DGCDRN COC(=O)c1c(Nc2ccc3c(c2)OCCN3)cccc1OC ZINC001209789567 1092923706 /nfs/dbraw/zinc/92/37/06/1092923706.db2.gz ZTLXMBQRQZZNTN-UHFFFAOYSA-N 0 0 314.341 3.030 20 10 DGCDRN O=C1CCOc2c(Nc3ccc4c(c3)OCCN4)ccc(F)c21 ZINC001209792034 1092926124 /nfs/dbraw/zinc/92/61/24/1092926124.db2.gz IPZOQZVCUKXDIN-UHFFFAOYSA-N 0 0 314.316 3.339 20 10 DGCDRN Nc1ccc(N(CCO)c2ccccc2N2CCCCC2)cc1 ZINC001210963108 1093339611 /nfs/dbraw/zinc/33/96/11/1093339611.db2.gz SUBUVIQBBQOHEE-UHFFFAOYSA-N 0 0 311.429 3.390 20 10 DGCDRN CN(C)c1ccc(NC(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001214572219 1093802559 /nfs/dbraw/zinc/80/25/59/1093802559.db2.gz AYINELNJZWSVQC-UHFFFAOYSA-N 0 0 319.792 3.433 20 10 DGCDRN COc1ccc(Cl)c(-c2noc(-c3cccc(O)c3O)n2)c1 ZINC001215145933 1093926891 /nfs/dbraw/zinc/92/68/91/1093926891.db2.gz RUMYJAUAFUIADK-UHFFFAOYSA-N 0 0 318.716 3.477 20 10 DGCDRN Oc1cccc(-c2nc(-c3cc(C(F)(F)F)ccn3)no2)c1O ZINC001215145922 1093927029 /nfs/dbraw/zinc/92/70/29/1093927029.db2.gz RJSDCRUGRFKCOO-UHFFFAOYSA-N 0 0 323.230 3.229 20 10 DGCDRN COc1cc(F)c(F)cc1-c1noc(-c2cccc(O)c2O)n1 ZINC001215145644 1093927264 /nfs/dbraw/zinc/92/72/64/1093927264.db2.gz AGNBMZRHJRJPAE-UHFFFAOYSA-N 0 0 320.251 3.102 20 10 DGCDRN COc1ccc(Cl)cc1-c1noc(-c2ccc(O)c(O)c2)n1 ZINC001215304277 1093955802 /nfs/dbraw/zinc/95/58/02/1093955802.db2.gz IPPHSEMPXUGNTB-UHFFFAOYSA-N 0 0 318.716 3.477 20 10 DGCDRN Oc1ccc(-c2nc(-c3cccc4ccncc43)no2)cc1O ZINC001215304630 1093955831 /nfs/dbraw/zinc/95/58/31/1093955831.db2.gz WLCWUOFPVGNNBS-UHFFFAOYSA-N 0 0 305.293 3.363 20 10 DGCDRN Cc1cc(F)c(-c2noc(-c3cc(O)c(O)c(O)c3)n2)cc1F ZINC001215327811 1093961432 /nfs/dbraw/zinc/96/14/32/1093961432.db2.gz UYSPUQTVGIRYQM-UHFFFAOYSA-N 0 0 320.251 3.107 20 10 DGCDRN Oc1ccc(-c2nc(-c3ccnc4ccccc43)no2)c(O)c1O ZINC001215327836 1093961841 /nfs/dbraw/zinc/96/18/41/1093961841.db2.gz WGLROUSTSYYUEZ-UHFFFAOYSA-N 0 0 321.292 3.069 20 10 DGCDRN CN(c1ccc(N)cc1)c1c(F)cc(C2OCCO2)cc1F ZINC001215442945 1093983911 /nfs/dbraw/zinc/98/39/11/1093983911.db2.gz VLNLHUDWFAMQLZ-UHFFFAOYSA-N 0 0 306.312 3.360 20 10 DGCDRN CC[C@@H]1CN(Cc2cc(Br)ccc2O)[C@@H](C)CO1 ZINC000403839923 1094187589 /nfs/dbraw/zinc/18/75/89/1094187589.db2.gz SGZROYZOKZFVJK-GXFFZTMASA-N 0 0 314.223 3.154 20 10 DGCDRN COCn1cc(Nc2ccccc2Cc2ccc(N)cc2)cn1 ZINC001216577781 1094223665 /nfs/dbraw/zinc/22/36/65/1094223665.db2.gz LFWPJRKUBLQUAQ-UHFFFAOYSA-N 0 0 308.385 3.404 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2COC(C)(C)C2)cc1 ZINC001134807124 1094299139 /nfs/dbraw/zinc/29/91/39/1094299139.db2.gz XBEGSMYMHHBEQV-MRXNPFEDSA-N 0 0 312.413 3.391 20 10 DGCDRN CC(C)CO[C@H](C)c1noc(CN(C)Cc2ccc(N)cc2)n1 ZINC001120263951 1094396831 /nfs/dbraw/zinc/39/68/31/1094396831.db2.gz XQSQZUMGEMQBNA-CYBMUJFWSA-N 0 0 318.421 3.017 20 10 DGCDRN O=C(Nc1cccc(O)c1)c1cc2cc(O)c(O)cc2s1 ZINC001135562968 1094578755 /nfs/dbraw/zinc/57/87/55/1094578755.db2.gz AVMNRKYLFDNOJO-UHFFFAOYSA-N 0 0 301.323 3.270 20 10 DGCDRN COc1ccc([C@H](C)N(C)C(=O)NCc2ccc(N)cc2)cc1 ZINC001336290881 1094617246 /nfs/dbraw/zinc/61/72/46/1094617246.db2.gz VTTRFECJMWETFV-ZDUSSCGKSA-N 0 0 313.401 3.180 20 10 DGCDRN CC[C@@H](Cc1ccccc1)N(C)C(=O)NCc1ccc(N)cc1 ZINC001336290598 1094618103 /nfs/dbraw/zinc/61/81/03/1094618103.db2.gz PVTXBMSGOKLDLZ-SFHVURJKSA-N 0 0 311.429 3.432 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)C3(CC)CCC3)CC2)cc1 ZINC001336530901 1094666561 /nfs/dbraw/zinc/66/65/61/1094666561.db2.gz FWTPQCQYPKUZOQ-UHFFFAOYSA-N 0 0 316.445 3.314 20 10 DGCDRN C[C@H](O)c1cccc(N2CC=C(c3ccc(Cl)nc3)CC2)n1 ZINC001336734772 1094714837 /nfs/dbraw/zinc/71/48/37/1094714837.db2.gz LEHSKEHCDZYSJO-LBPRGKRZSA-N 0 0 315.804 3.477 20 10 DGCDRN Cc1noc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC001337048844 1094833898 /nfs/dbraw/zinc/83/38/98/1094833898.db2.gz IDKVKCZJYIGKFJ-NSHDSACASA-N 0 0 324.331 3.060 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C)CCC(C)CC1 ZINC001337165847 1094881168 /nfs/dbraw/zinc/88/11/68/1094881168.db2.gz IQIOXRUAVVBIKT-XYEKJYRLSA-N 0 0 305.418 3.361 20 10 DGCDRN Cc1ncccc1/C=C/C(=O)N(C)c1cccc2c1CCCN2 ZINC001337257533 1094910246 /nfs/dbraw/zinc/91/02/46/1094910246.db2.gz DPQPWVGPQZDQPG-ZHACJKMWSA-N 0 0 307.397 3.424 20 10 DGCDRN Cc1ccc(C(=O)NC[C@@H]2CCCc3ccccc32)c(O)c1O ZINC001136167532 1094922377 /nfs/dbraw/zinc/92/23/77/1094922377.db2.gz SXPSFWJHTCTQDY-AWEZNQCLSA-N 0 0 311.381 3.256 20 10 DGCDRN C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccccn1 ZINC001136180716 1094931655 /nfs/dbraw/zinc/93/16/55/1094931655.db2.gz LIOPFJXDOJXJKM-OAHLLOKOSA-N 0 0 323.440 3.442 20 10 DGCDRN CC1(C)COC(c2ccccc2NC(=O)Cc2ccc(N)cc2)=N1 ZINC001219386240 1094969872 /nfs/dbraw/zinc/96/98/72/1094969872.db2.gz GWPSJHALKZEHPT-UHFFFAOYSA-N 0 0 323.396 3.005 20 10 DGCDRN Cc1ncsc1/C=C/C(=O)N1CCCn2nc(C)c(Cl)c21 ZINC001337519200 1095006917 /nfs/dbraw/zinc/00/69/17/1095006917.db2.gz URCHLRGMZXZCAY-SNAWJCMRSA-N 0 0 322.821 3.060 20 10 DGCDRN CCCCOc1ccccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001136369436 1095007224 /nfs/dbraw/zinc/00/72/24/1095007224.db2.gz MBPIZCZXMJQIAA-UHFFFAOYSA-N 0 0 315.369 3.458 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)[C@@H]1CCOC2(CCC2)C1 ZINC001337738024 1095078587 /nfs/dbraw/zinc/07/85/87/1095078587.db2.gz RZWZFRCAKKYITH-SECBINFHSA-N 0 0 321.764 3.164 20 10 DGCDRN C[C@@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)c1ccc(F)cc1[O-] ZINC000316334599 1095169527 /nfs/dbraw/zinc/16/95/27/1095169527.db2.gz CEVZFRPJCBYEIY-MLGOLLRUSA-N 0 0 305.397 3.493 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000316358050 1095170645 /nfs/dbraw/zinc/17/06/45/1095170645.db2.gz GCCONLUNQJOVDA-UHFFFAOYSA-N 0 0 308.303 3.100 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NCC2CC=CC2)cc1 ZINC001221229510 1095217064 /nfs/dbraw/zinc/21/70/64/1095217064.db2.gz GDMCIMNZAMMVDL-UHFFFAOYSA-N 0 0 301.434 3.298 20 10 DGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001139684269 1095350994 /nfs/dbraw/zinc/35/09/94/1095350994.db2.gz SJROZQGYOPLWCS-CQSZACIVSA-N 0 0 319.351 3.462 20 10 DGCDRN Nc1ccc(CNC(=O)N[C@@H](c2ccccn2)C2CCC2)cc1 ZINC001338660177 1095354280 /nfs/dbraw/zinc/35/42/80/1095354280.db2.gz MIVNJKBMNOFIJO-QGZVFWFLSA-N 0 0 310.401 3.004 20 10 DGCDRN Cn1c(C2SC=CC2=O)nnc1N1CCC[C@H]1C1CCC1 ZINC001338749592 1095376934 /nfs/dbraw/zinc/37/69/34/1095376934.db2.gz IIUYOOMXGPYTGT-NSHDSACASA-N 0 0 304.419 3.018 20 10 DGCDRN CC[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2C)[C@H]1C ZINC001221894254 1095383671 /nfs/dbraw/zinc/38/36/71/1095383671.db2.gz PUBFOFWKSCCUOW-GJZGRUSLSA-N 0 0 303.450 3.391 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2nc(C3CC3)cs2)c1 ZINC001123768561 1095427138 /nfs/dbraw/zinc/42/71/38/1095427138.db2.gz BLMBTUSRTJBYSW-SECBINFHSA-N 0 0 318.398 3.226 20 10 DGCDRN CC(C)[C@H](Cc1ccccc1)C(=O)NCc1cccc(O)c1O ZINC001123889990 1095473402 /nfs/dbraw/zinc/47/34/02/1095473402.db2.gz SUDFSLUDMQBODI-INIZCTEOSA-N 0 0 313.397 3.229 20 10 DGCDRN C/C(=C\c1cccnc1)C(=O)N1CCCn2nc(C)c(Cl)c21 ZINC001339112808 1095501446 /nfs/dbraw/zinc/50/14/46/1095501446.db2.gz AOWAYGNRWVNOQX-PKNBQFBNSA-N 0 0 316.792 3.080 20 10 DGCDRN O=C(Cc1ccccc1)NCc1cccc(Br)c1O ZINC001339117617 1095504236 /nfs/dbraw/zinc/50/42/36/1095504236.db2.gz XOJPQFHFTKUGHC-UHFFFAOYSA-N 0 0 320.186 3.014 20 10 DGCDRN CCN1CCN(C(=O)/C=C\c2cncc(C)c2)c2ccccc21 ZINC001116325838 1095516595 /nfs/dbraw/zinc/51/65/95/1095516595.db2.gz JNBUYBMJUNKNPH-HJWRWDBZSA-N 0 0 307.397 3.276 20 10 DGCDRN CCOCc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC001116509816 1095583203 /nfs/dbraw/zinc/58/32/03/1095583203.db2.gz CQRQYQDHOPNSQK-UXBLZVDNSA-N 0 0 313.353 3.286 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2nsc3ccccc32)cc1 ZINC001124553909 1095603531 /nfs/dbraw/zinc/60/35/31/1095603531.db2.gz XQXGQBDXWSARPV-UHFFFAOYSA-N 0 0 311.410 3.292 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222421240 1095605901 /nfs/dbraw/zinc/60/59/01/1095605901.db2.gz KXHLZCOINUOOLE-OAHLLOKOSA-N 0 0 315.244 3.417 20 10 DGCDRN Oc1ccc(Br)cc1CNc1ncnc2ccoc21 ZINC001171167332 1095622177 /nfs/dbraw/zinc/62/21/77/1095622177.db2.gz IRTMKWAKZZEJCU-UHFFFAOYSA-N 0 0 320.146 3.303 20 10 DGCDRN COC(=O)[C@H]1C[C@@H](C)CCN1Cc1ccc(N2CCCC2)cc1 ZINC001116655631 1095627809 /nfs/dbraw/zinc/62/78/09/1095627809.db2.gz VBVZRQLDFXKFDE-MAUKXSAKSA-N 0 0 316.445 3.060 20 10 DGCDRN CC(C)N(Cc1ccco1)c1nnc(C2SC=CC2=O)n1C ZINC001339452559 1095628602 /nfs/dbraw/zinc/62/86/02/1095628602.db2.gz APQOPIPFYLZAMD-UHFFFAOYSA-N 0 0 318.402 3.257 20 10 DGCDRN Cn1c(C2SC=CC2=O)nnc1N(CC1CC1)C1CCC1 ZINC001339459087 1095630288 /nfs/dbraw/zinc/63/02/88/1095630288.db2.gz VYLPEWFWPOWCSF-UHFFFAOYSA-N 0 0 304.419 3.018 20 10 DGCDRN Oc1ccc(Br)cc1CNc1cccn2ccnc12 ZINC001171175299 1095646107 /nfs/dbraw/zinc/64/61/07/1095646107.db2.gz JGVHFNOJDQLTQT-UHFFFAOYSA-N 0 0 318.174 3.415 20 10 DGCDRN CCN(CC)c1ccc(CN(C)c2nnc(C(F)F)n2C)cc1 ZINC001339538558 1095650345 /nfs/dbraw/zinc/65/03/45/1095650345.db2.gz GYDRXEVFCYLXFM-UHFFFAOYSA-N 0 0 323.391 3.235 20 10 DGCDRN Cn1cc(-c2ccc3ncc(=O)n(C)c3c2)c(-c2ccccc2)n1 ZINC001222536550 1095657812 /nfs/dbraw/zinc/65/78/12/1095657812.db2.gz WUOKXZUVFNEMAQ-UHFFFAOYSA-N 0 0 316.364 3.001 20 10 DGCDRN Oc1cccc2c1CN(Cc1cccnc1C(F)(F)F)CC2 ZINC001144538910 1095704825 /nfs/dbraw/zinc/70/48/25/1095704825.db2.gz VQUKXQBSXTXESF-UHFFFAOYSA-N 0 0 308.303 3.364 20 10 DGCDRN CN1CC[N@H+](Cc2c([O-])cccc2F)C[C@@H]1c1ccccc1 ZINC001137837714 1095757699 /nfs/dbraw/zinc/75/76/99/1095757699.db2.gz RQCAPKTZZJZDDE-QGZVFWFLSA-N 0 0 300.377 3.020 20 10 DGCDRN CCC1(NC(=O)OC(C)(C)C)CN(Cc2c(O)cccc2F)C1 ZINC001137840223 1095758722 /nfs/dbraw/zinc/75/87/22/1095758722.db2.gz TZTRATODCBWAHZ-UHFFFAOYSA-N 0 0 324.396 3.020 20 10 DGCDRN CN(C)c1ccc(C[N@H+](C)Cc2sccc2C(=O)[O-])cc1 ZINC001144680675 1095763734 /nfs/dbraw/zinc/76/37/34/1095763734.db2.gz SYILKYKIWXMFDY-UHFFFAOYSA-N 0 0 304.415 3.144 20 10 DGCDRN Cc1cc(CN2CC(F)(F)C[C@H]2CO)c(C)n1-c1ccccc1 ZINC001137854087 1095766371 /nfs/dbraw/zinc/76/63/71/1095766371.db2.gz IAZGICIRSZJAOI-KRWDZBQOSA-N 0 0 320.383 3.296 20 10 DGCDRN Cc1noc(-c2ccccc2)c1NC(=O)Cc1ccc(O)c(O)c1 ZINC001138057679 1095855983 /nfs/dbraw/zinc/85/59/83/1095855983.db2.gz OTRFFMYQWXXZBX-UHFFFAOYSA-N 0 0 324.336 3.242 20 10 DGCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001138127437 1095900406 /nfs/dbraw/zinc/90/04/06/1095900406.db2.gz BPLCYLOGLKWVBM-HNNXBMFYSA-N 0 0 305.324 3.324 20 10 DGCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001138127438 1095900609 /nfs/dbraw/zinc/90/06/09/1095900609.db2.gz BPLCYLOGLKWVBM-OAHLLOKOSA-N 0 0 305.324 3.324 20 10 DGCDRN Cc1cccnc1O[C@@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001138131374 1095903106 /nfs/dbraw/zinc/90/31/06/1095903106.db2.gz YEQRIPPTSIJGQS-OAHLLOKOSA-N 0 0 316.376 3.278 20 10 DGCDRN CC(C)(C)CC(=O)NC1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC001138131382 1095903237 /nfs/dbraw/zinc/90/32/37/1095903237.db2.gz YMDOMIMFLFKIOX-UHFFFAOYSA-N 0 0 322.424 3.048 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1cc(F)c(F)cc1F ZINC001146233618 1096008886 /nfs/dbraw/zinc/00/88/86/1096008886.db2.gz YKNGCTGXBPYSEV-UHFFFAOYSA-N 0 0 315.678 3.393 20 10 DGCDRN CCn1c(-c2ccc(C)nc2)nnc1N(C)Cc1ccccc1O ZINC001340762936 1096026578 /nfs/dbraw/zinc/02/65/78/1096026578.db2.gz NFWZQKCTYHXTGR-UHFFFAOYSA-N 0 0 323.400 3.010 20 10 DGCDRN COC[C@@H](C)n1ccc(NCc2cc(F)c(N(C)C)cc2F)n1 ZINC001118804491 1096081064 /nfs/dbraw/zinc/08/10/64/1096081064.db2.gz LXDXRILUXNCZQC-LLVKDONJSA-N 0 0 324.375 3.047 20 10 DGCDRN C[C@@H](CC(=O)NCc1ccc2c(c1)CCCN2C)C(F)(F)F ZINC001118811694 1096084837 /nfs/dbraw/zinc/08/48/37/1096084837.db2.gz GSOPRPDBSMFUTJ-NSHDSACASA-N 0 0 314.351 3.274 20 10 DGCDRN Cc1ccc(O)c(CNc2nc(C3CCOCC3)ns2)c1 ZINC001118922965 1096105728 /nfs/dbraw/zinc/10/57/28/1096105728.db2.gz PQXRCCNZWBEFBR-UHFFFAOYSA-N 0 0 305.403 3.058 20 10 DGCDRN Cn1cc(C(F)F)c(CNCc2ccc(N3CCCC3)cc2)n1 ZINC001118927680 1096106941 /nfs/dbraw/zinc/10/69/41/1096106941.db2.gz BMDPXDATCHLICQ-UHFFFAOYSA-N 0 0 320.387 3.248 20 10 DGCDRN C[S@@](=O)(=NC(=O)/C=C/c1ccc(O)c(O)c1)C1CCCCC1 ZINC001119632013 1096238054 /nfs/dbraw/zinc/23/80/54/1096238054.db2.gz KLEWCCRWZIDQBB-RCHCNPRSSA-N 0 0 323.414 3.068 20 10 DGCDRN CC(C)OCc1noc(CN(C)c2ccc(OC(C)C)cc2)n1 ZINC001119767720 1096258787 /nfs/dbraw/zinc/25/87/87/1096258787.db2.gz CEQYAYWFEPFNJR-UHFFFAOYSA-N 0 0 319.405 3.418 20 10 DGCDRN CC(=O)NCc1ccc(NCc2cc3ccccc3cc2O)nc1 ZINC001171402753 1096671246 /nfs/dbraw/zinc/67/12/46/1096671246.db2.gz RCCGPJBWVSJGHD-UHFFFAOYSA-N 0 0 321.380 3.189 20 10 DGCDRN O=C1NCCc2ccc(NCc3cc4ccccc4cc3O)cc21 ZINC001171404719 1096675337 /nfs/dbraw/zinc/67/53/37/1096675337.db2.gz KJQMLXLNKZFCAP-UHFFFAOYSA-N 0 0 318.376 3.443 20 10 DGCDRN O=C1Cc2ccc(NCc3cc4ccccc4cc3O)nc2N1 ZINC001171407711 1096678680 /nfs/dbraw/zinc/67/86/80/1096678680.db2.gz UWSUHEJLMWGIRN-UHFFFAOYSA-N 0 0 305.337 3.047 20 10 DGCDRN CCC[C@@H](Oc1c(O)c(O)c(O)c(O)c1O)C1CCCCC1 ZINC001226464726 1096695630 /nfs/dbraw/zinc/69/56/30/1096695630.db2.gz LGYUSSFGYTWTOI-SNVBAGLBSA-N 0 0 312.362 3.342 20 10 DGCDRN C[C@@H](Oc1c(O)c(O)c(O)c(O)c1O)c1csc(Cl)c1 ZINC001226465574 1096695653 /nfs/dbraw/zinc/69/56/53/1096695653.db2.gz SVMLRKNFQLOHIW-SCSAIBSYSA-N 0 0 318.734 3.070 20 10 DGCDRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1c(O)c(O)c(O)c(O)c1O ZINC001226464500 1096695762 /nfs/dbraw/zinc/69/57/62/1096695762.db2.gz INTNDPKERQDPDG-KXUCPTDWSA-N 0 0 312.362 3.054 20 10 DGCDRN C[C@@H](Oc1c(O)c(O)c(O)c(O)c1O)c1ccccc1Cl ZINC001226465316 1096696039 /nfs/dbraw/zinc/69/60/39/1096696039.db2.gz STBFNCSPRQGXKT-ZCFIWIBFSA-N 0 0 312.705 3.008 20 10 DGCDRN CC(C)(C)C1CCC(Oc2c(O)c(O)c(O)c(O)c2O)CC1 ZINC001226466037 1096696777 /nfs/dbraw/zinc/69/67/77/1096696777.db2.gz ZJUBSPSNRHDSOJ-UHFFFAOYSA-N 0 0 312.362 3.198 20 10 DGCDRN C[C@@H](Oc1c(O)c(O)c(O)c(O)c1O)c1cccc(Cl)c1 ZINC001226468583 1096696905 /nfs/dbraw/zinc/69/69/05/1096696905.db2.gz OTSDLPXBDVSEFO-ZCFIWIBFSA-N 0 0 312.705 3.008 20 10 DGCDRN O=C1CC[C@@H](COC2=CC(=O)C=CC2=NNc2ccccn2)O1 ZINC001227489629 1096940170 /nfs/dbraw/zinc/94/01/70/1096940170.db2.gz OLEPJGXUPBHPGA-RUWSDDDDSA-N 0 0 313.313 3.287 20 10 DGCDRN CC(=O)Nc1c(C)cccc1C(=O)N[C@@H](C)c1ccccc1O ZINC001171730980 1096956463 /nfs/dbraw/zinc/95/64/63/1096956463.db2.gz VHGUOGUWQQBVHR-LBPRGKRZSA-N 0 0 312.369 3.150 20 10 DGCDRN C[C@H](NC(=O)COC/C=C/c1ccccc1)c1ccccc1O ZINC001171730240 1096956757 /nfs/dbraw/zinc/95/67/57/1096956757.db2.gz MTYBWCIBFXAIPZ-VSGCLNPGSA-N 0 0 311.381 3.299 20 10 DGCDRN CN(C)c1ccc(O[C@H]2CCN3Cc4ccccc4N=C23)cc1 ZINC001227939527 1097017012 /nfs/dbraw/zinc/01/70/12/1097017012.db2.gz YBZGKMXJQOQNOJ-SFHVURJKSA-N 0 0 307.397 3.450 20 10 DGCDRN C[C@H]1[C@H](Oc2ccc(N(C)C)cc2)CN1C(=O)OC(C)(C)C ZINC001227939040 1097017380 /nfs/dbraw/zinc/01/73/80/1097017380.db2.gz IXAXMCURVSKZSD-SWLSCSKDSA-N 0 0 306.406 3.139 20 10 DGCDRN O=C1c2ccccc2C(=O)c2c(O[C@@H]3C[C@H]4C[C@H]4C3)ccc(O)c21 ZINC001228210603 1097074582 /nfs/dbraw/zinc/07/45/82/1097074582.db2.gz HXLXILPSINOMBK-ZSBIGDGJSA-N 0 0 320.344 3.345 20 10 DGCDRN C[C@H](NC(=O)NCc1cc2ccccc2[nH]1)c1ccccc1O ZINC001228275650 1097087402 /nfs/dbraw/zinc/08/74/02/1097087402.db2.gz IRTSQZFLMAXHCT-LBPRGKRZSA-N 0 0 309.369 3.434 20 10 DGCDRN CC[C@H](O)C(=O)Oc1ccccc1NN=C1C=CC=CC1=O ZINC001228420723 1097117866 /nfs/dbraw/zinc/11/78/66/1097117866.db2.gz XYGZTQXHUYQNCR-BZSIDJSBSA-N 0 0 300.314 3.484 20 10 DGCDRN O=C(Nc1ncc(C2CCOCC2)s1)C1=CC(=O)CS1 ZINC001330818055 1097438292 /nfs/dbraw/zinc/43/82/92/1097438292.db2.gz COVPXZQJSDTCNZ-UHFFFAOYSA-N 0 0 310.400 3.057 20 10 DGCDRN COC(=O)c1ccc(C[C@H](C)[N@H+](C)Cc2ccccc2O)cc1 ZINC001173731126 1097509414 /nfs/dbraw/zinc/50/94/14/1097509414.db2.gz SNOMKSUFSXTCAY-AWEZNQCLSA-N 0 0 313.397 3.242 20 10 DGCDRN C[C@H]1CC(CNC(=O)NCc2c(O)cccc2F)C[C@H](C)C1 ZINC001230793593 1097588805 /nfs/dbraw/zinc/58/88/05/1097588805.db2.gz PNNIFFHBWZBGJZ-VXGBXAGGSA-N 0 0 308.397 3.403 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H]2CCc3ccccc3C2)c1 ZINC001231058349 1097658177 /nfs/dbraw/zinc/65/81/77/1097658177.db2.gz BMKIZXZTMJIURL-OAHLLOKOSA-N 0 0 324.424 3.305 20 10 DGCDRN Cc1nn(C)cc1Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001174334382 1097680469 /nfs/dbraw/zinc/68/04/69/1097680469.db2.gz BHIAHAXJJYBBLV-UHFFFAOYSA-N 0 0 317.348 3.248 20 10 DGCDRN CC[C@@H](COC)Oc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001231266506 1097708598 /nfs/dbraw/zinc/70/85/98/1097708598.db2.gz WGZBTERHXUVRAB-LBPRGKRZSA-N 0 0 310.349 3.266 20 10 DGCDRN CO[C@@H](C)CCOc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001231265449 1097708681 /nfs/dbraw/zinc/70/86/81/1097708681.db2.gz FWWCAWOYAKRPDK-LBPRGKRZSA-N 0 0 310.349 3.266 20 10 DGCDRN O=C([O-])c1ccc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c(O)c1 ZINC001231452709 1097751811 /nfs/dbraw/zinc/75/18/11/1097751811.db2.gz SFYSGEFDEUYBRZ-OAHLLOKOSA-N 0 0 311.381 3.155 20 10 DGCDRN CS(=O)(=O)N(c1ccc(N)cc1)c1cccc(C(F)F)c1 ZINC001174621165 1097781343 /nfs/dbraw/zinc/78/13/43/1097781343.db2.gz DZRHPVYKDKJCHE-UHFFFAOYSA-N 0 0 312.341 3.304 20 10 DGCDRN OC[C@@H]1CCC(F)(F)CN1Cc1c(O)ccc2ccccc21 ZINC001231588301 1097785780 /nfs/dbraw/zinc/78/57/80/1097785780.db2.gz PAMOQIRXAPQLBN-ZDUSSCGKSA-N 0 0 307.340 3.137 20 10 DGCDRN Cc1nc([C@H]2COCCN2Cc2cccc(C)c2O)cs1 ZINC001231592736 1097786784 /nfs/dbraw/zinc/78/67/84/1097786784.db2.gz PLPLNPDLSYIMQJ-OAHLLOKOSA-N 0 0 304.415 3.039 20 10 DGCDRN Cc1cccc(CN2CC[C@H](N3CCCC3)C(F)(F)C2)c1O ZINC001231594499 1097787932 /nfs/dbraw/zinc/78/79/32/1097787932.db2.gz GRMJSJYUTJBIDN-HNNXBMFYSA-N 0 0 310.388 3.006 20 10 DGCDRN Cc1cccc(CN2CC[C@@H]2N(C)C(=O)OC(C)(C)C)c1O ZINC001231595073 1097788614 /nfs/dbraw/zinc/78/86/14/1097788614.db2.gz RQCFJVBPVKCNLZ-CQSZACIVSA-N 0 0 306.406 3.099 20 10 DGCDRN COc1cc(N(C)C)ccc1CN1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001231849420 1097863868 /nfs/dbraw/zinc/86/38/68/1097863868.db2.gz SHHORWAWUOCLGQ-SJORKVTESA-N 0 0 316.445 3.095 20 10 DGCDRN COc1cc(N(C)C)ccc1C[NH+]1CCC2(CC(F)C2)CC1 ZINC001231852066 1097864993 /nfs/dbraw/zinc/86/49/93/1097864993.db2.gz QGBUNXFKSOCSCR-UHFFFAOYSA-N 0 0 306.425 3.475 20 10 DGCDRN CCCNC(=O)[C@@H]1CCCCN1Cc1cc(Cl)c(C)cc1O ZINC001231871149 1097872764 /nfs/dbraw/zinc/87/27/64/1097872764.db2.gz ZXDBZCUYVGWCET-HNNXBMFYSA-N 0 0 324.852 3.235 20 10 DGCDRN CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001231910148 1097889482 /nfs/dbraw/zinc/88/94/82/1097889482.db2.gz WHSCWBQOLFWVID-CQSZACIVSA-N 0 0 324.852 3.126 20 10 DGCDRN Cc1ccc(O[C@@H]2CC[N@H+](Cc3cccc(Cl)c3[O-])C2)nc1 ZINC001231913255 1097889780 /nfs/dbraw/zinc/88/97/80/1097889780.db2.gz JVUQLOVHNLNLKE-CQSZACIVSA-N 0 0 318.804 3.402 20 10 DGCDRN Cc1cccc(N2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)n1 ZINC001231910144 1097890436 /nfs/dbraw/zinc/89/04/36/1097890436.db2.gz WCFNROPFBRSFPL-UHFFFAOYSA-N 0 0 317.820 3.071 20 10 DGCDRN CC(C)Oc1cc(F)cc(N(CCO)c2ccc(N)cc2)c1 ZINC001175141522 1097958723 /nfs/dbraw/zinc/95/87/23/1097958723.db2.gz DVKGOWONGDUTPT-UHFFFAOYSA-N 0 0 304.365 3.326 20 10 DGCDRN CN(Cc1ccc(N2CCOCC2)c(Cl)c1)CC(F)(F)F ZINC001232198091 1097962260 /nfs/dbraw/zinc/96/22/60/1097962260.db2.gz HQYXUFNPNWQHPH-UHFFFAOYSA-N 0 0 322.758 3.171 20 10 DGCDRN Oc1cc(O)c(CN2CCc3cc(F)ccc3C2)cc1Cl ZINC001232263087 1097984269 /nfs/dbraw/zinc/98/42/69/1097984269.db2.gz GAKLXWZRJJNONZ-UHFFFAOYSA-N 0 0 307.752 3.449 20 10 DGCDRN C[C@@]1(CF)CC(F)(F)CN1Cc1cc(Cl)c(O)cc1O ZINC001232259389 1097984340 /nfs/dbraw/zinc/98/43/40/1097984340.db2.gz IIWMSHBYJANQTA-LBPRGKRZSA-N 0 0 309.715 3.320 20 10 DGCDRN COc1cccc2c1CN(Cc1cc(Cl)c(O)cc1O)C2 ZINC001232262964 1097984924 /nfs/dbraw/zinc/98/49/24/1097984924.db2.gz XTSKPSWPUHPHLK-UHFFFAOYSA-N 0 0 305.761 3.276 20 10 DGCDRN C[C@@H]1C(=O)CCN(Cc2cc(Cl)c(O)cc2O)C12CCCC2 ZINC001232266488 1097987330 /nfs/dbraw/zinc/98/73/30/1097987330.db2.gz VDUOJQTYMQHVDN-LLVKDONJSA-N 0 0 323.820 3.475 20 10 DGCDRN CCOc1ccc(N(CCO[C@H]2CCOC2)CC2CC2)cc1 ZINC001175371979 1098027546 /nfs/dbraw/zinc/02/75/46/1098027546.db2.gz PRFJLZWHOILUNK-SFHVURJKSA-N 0 0 305.418 3.107 20 10 DGCDRN COC(=O)c1c(CN(C)C2CC(F)(F)C2)c2ccccc2n1C ZINC001232402970 1098028750 /nfs/dbraw/zinc/02/87/50/1098028750.db2.gz SXLKVEMBHZJRJQ-UHFFFAOYSA-N 0 0 322.355 3.194 20 10 DGCDRN COC(=O)c1c(CN2CCCC[C@H](F)C2)c2ccccc2n1C ZINC001232403057 1098029356 /nfs/dbraw/zinc/02/93/56/1098029356.db2.gz UDOSBNDZRWWTPY-ZDUSSCGKSA-N 0 0 318.392 3.289 20 10 DGCDRN O=C(c1ccncc1)c1ccccc1Nc1cnc2n[nH]cc2c1 ZINC001175410694 1098038003 /nfs/dbraw/zinc/03/80/03/1098038003.db2.gz VHFLGDVGZKDKJB-UHFFFAOYSA-N 0 0 315.336 3.328 20 10 DGCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1-c1cccc(CO)c1 ZINC001175509916 1098078669 /nfs/dbraw/zinc/07/86/69/1098078669.db2.gz RGSOXSMRKJOYDR-VBGCDCBSSA-N 0 0 319.368 3.447 20 10 DGCDRN CN1CCC=C(Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001175576443 1098102086 /nfs/dbraw/zinc/10/20/86/1098102086.db2.gz KQRQISFZEWBPIN-UHFFFAOYSA-N 0 0 318.376 3.093 20 10 DGCDRN CNc1ccccc1C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001232665845 1098109898 /nfs/dbraw/zinc/10/98/98/1098109898.db2.gz CRQJHOHKFYAPPT-UHFFFAOYSA-N 0 0 311.429 3.059 20 10 DGCDRN Cc1nc(N)ncc1N(c1ccc(N)cc1)c1ccc(N)cc1 ZINC001175673505 1098133299 /nfs/dbraw/zinc/13/32/99/1098133299.db2.gz DMVWQTZYPJWUBZ-UHFFFAOYSA-N 0 0 306.373 3.001 20 10 DGCDRN CN(C)c1ccc(C[N@H+](C)Cc2nc3ccccc3o2)c(O)c1 ZINC001232840211 1098150786 /nfs/dbraw/zinc/15/07/86/1098150786.db2.gz PMYKROXZLPCPTF-UHFFFAOYSA-N 0 0 311.385 3.231 20 10 DGCDRN Oc1cc(CN2CCC[C@@H]2c2ccc(F)cc2)cc(O)c1O ZINC001233010847 1098202154 /nfs/dbraw/zinc/20/21/54/1098202154.db2.gz VSTVWEFSRYKAQT-CQSZACIVSA-N 0 0 303.333 3.280 20 10 DGCDRN COc1cccc([C@H]2CCCN2Cc2cc(O)c(O)c(O)c2)c1 ZINC001233016707 1098203667 /nfs/dbraw/zinc/20/36/67/1098203667.db2.gz LMRQSSBCCORFKE-OAHLLOKOSA-N 0 0 315.369 3.149 20 10 DGCDRN Cc1ccccc1N1CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233073941 1098219819 /nfs/dbraw/zinc/21/98/19/1098219819.db2.gz HEEWOKDQQAYDGJ-UHFFFAOYSA-N 0 0 318.367 3.301 20 10 DGCDRN O=C(c1ccncc1)c1ccccc1Nc1ccc2[nH]nnc2c1 ZINC001176003042 1098229160 /nfs/dbraw/zinc/22/91/60/1098229160.db2.gz AMXSUHUZLREBSK-UHFFFAOYSA-N 0 0 315.336 3.328 20 10 DGCDRN COc1cc(O)c(CN2C[C@H](F)C[C@H]2C)cc1Br ZINC001233135605 1098235384 /nfs/dbraw/zinc/23/53/84/1098235384.db2.gz WOIQMZUBRODDSB-PSASIEDQSA-N 0 0 318.186 3.096 20 10 DGCDRN CCOC(=O)c1c(CN2C[C@@H](C)[C@@H](F)C2)c2ccccc2n1C ZINC001233270580 1098269562 /nfs/dbraw/zinc/26/95/62/1098269562.db2.gz SJPLRFOLYKFQNI-DOMZBBRYSA-N 0 0 318.392 3.145 20 10 DGCDRN CC(C)(C)c1ccc(O)c(CN2CCO[C@H](C(F)(F)F)C2)c1 ZINC001233286598 1098275691 /nfs/dbraw/zinc/27/56/91/1098275691.db2.gz AKQDSUFJZQVBBF-AWEZNQCLSA-N 0 0 317.351 3.453 20 10 DGCDRN CN(C)C(=O)c1cc(N(C)c2ccc(N)cc2)ccc1Cl ZINC001176154475 1098277777 /nfs/dbraw/zinc/27/77/77/1098277777.db2.gz MKDSYBCPFOLSCR-UHFFFAOYSA-N 0 0 303.793 3.392 20 10 DGCDRN CN(C)c1ncc(N(Cc2ccccc2)c2ccc(N)cc2)cn1 ZINC001176333674 1098314915 /nfs/dbraw/zinc/31/49/15/1098314915.db2.gz PJHQIJVCYHZJHZ-UHFFFAOYSA-N 0 0 319.412 3.463 20 10 DGCDRN CN(C)c1ncc(Nc2ccc(Cc3ccc(N)cc3)cc2)cn1 ZINC001176332741 1098314940 /nfs/dbraw/zinc/31/49/40/1098314940.db2.gz VQSXMOBHYHMYRA-UHFFFAOYSA-N 0 0 319.412 3.459 20 10 DGCDRN CCCCOC(=O)[C@@H](C)Oc1cc(O)c(O)cc1C(=O)CCC ZINC001233496361 1098352380 /nfs/dbraw/zinc/35/23/80/1098352380.db2.gz FNCYXXJAKFONOU-LLVKDONJSA-N 0 0 324.373 3.191 20 10 DGCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@H](C)c1cnccn1 ZINC001233496686 1098352422 /nfs/dbraw/zinc/35/24/22/1098352422.db2.gz ZFTRTSPHYPGUGL-SNVBAGLBSA-N 0 0 302.330 3.011 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1ccc(Cl)c(Cl)c1 ZINC001176566387 1098388383 /nfs/dbraw/zinc/38/83/83/1098388383.db2.gz WLJRRIKAKSXMPG-UHFFFAOYSA-N 0 0 312.152 3.335 20 10 DGCDRN Oc1cccc2c1CN(Cc1cn3c(cccc3Cl)n1)CC2 ZINC001233608982 1098388918 /nfs/dbraw/zinc/38/89/18/1098388918.db2.gz OHTULJOQKXLVBK-UHFFFAOYSA-N 0 0 313.788 3.252 20 10 DGCDRN C[C@H](C(=O)NCc1cccc(O)c1O)c1cccc(Cl)c1 ZINC001176565890 1098388856 /nfs/dbraw/zinc/38/88/56/1098388856.db2.gz PMWTVQMGSCOUPW-JTQLQIEISA-N 0 0 305.761 3.171 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC001177166672 1098480468 /nfs/dbraw/zinc/48/04/68/1098480468.db2.gz RVSQTIYQCKKYJU-GFCCVEGCSA-N 0 0 323.751 3.114 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H]1CCC(=O)c2ccccc21 ZINC001234473886 1098563956 /nfs/dbraw/zinc/56/39/56/1098563956.db2.gz LNSJSYPIUNZEBR-QGZVFWFLSA-N 0 0 312.321 3.397 20 10 DGCDRN CCOC(=O)CN(CC)Cc1cccc(-c2ccccc2)c1O ZINC001234998061 1098741573 /nfs/dbraw/zinc/74/15/73/1098741573.db2.gz HOPBHQRIKUSQEC-UHFFFAOYSA-N 0 0 313.397 3.444 20 10 DGCDRN Cc1cc(C)c(CNC(=O)Cc2cc(C(C)C)ccn2)c(O)c1 ZINC001178228852 1098764816 /nfs/dbraw/zinc/76/48/16/1098764816.db2.gz BBXQCMLBAFZSRD-UHFFFAOYSA-N 0 0 312.413 3.386 20 10 DGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)CCc2cnoc2)cc1 ZINC001178405073 1098822727 /nfs/dbraw/zinc/82/27/27/1098822727.db2.gz BORAPTQBUUFRLF-UHFFFAOYSA-N 0 0 321.380 3.423 20 10 DGCDRN CCn1cc(C(=O)NCc2c(O)cccc2F)c2ccccc21 ZINC001178409586 1098825622 /nfs/dbraw/zinc/82/56/22/1098825622.db2.gz GQCUDTIIRVQQGA-UHFFFAOYSA-N 0 0 312.344 3.436 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CCCC[C@@]12CC[NH2+]C2 ZINC001235127071 1098826385 /nfs/dbraw/zinc/82/63/85/1098826385.db2.gz XERALEKGKGEIMS-HNNXBMFYSA-N 0 0 315.244 3.417 20 10 DGCDRN CC(C)c1ccc(OCC(=O)NCc2c(O)cccc2F)cc1 ZINC001178410098 1098826754 /nfs/dbraw/zinc/82/67/54/1098826754.db2.gz LZIITDXEYLGGFZ-UHFFFAOYSA-N 0 0 317.360 3.350 20 10 DGCDRN [O-]c1c(Cl)cc(F)cc1CN1CCCC[C@@]12CCC[NH2+]C2 ZINC001235178527 1098858559 /nfs/dbraw/zinc/85/85/59/1098858559.db2.gz VTUGKDALRSIMFY-INIZCTEOSA-N 0 0 312.816 3.293 20 10 DGCDRN [O-]c1c(Cl)cccc1CN1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001235221388 1098892887 /nfs/dbraw/zinc/89/28/87/1098892887.db2.gz RBNCIWNKIGUHGB-DOTOQJQBSA-N 0 0 314.816 3.117 20 10 DGCDRN C[C@@]1(CF)CC[N@H+](Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235299487 1098949063 /nfs/dbraw/zinc/94/90/63/1098949063.db2.gz VHCZCBLERGDPFR-ZDUSSCGKSA-N 0 0 320.177 3.475 20 10 DGCDRN O=C(CCc1cscn1)NCc1c(O)ccc2ccccc21 ZINC001179029908 1099005482 /nfs/dbraw/zinc/00/54/82/1099005482.db2.gz VUPDRLYWYYYGEU-UHFFFAOYSA-N 0 0 312.394 3.251 20 10 DGCDRN CCc1nc(C(=O)NCc2c(O)ccc3ccccc32)c(C)o1 ZINC001179032296 1099007139 /nfs/dbraw/zinc/00/71/39/1099007139.db2.gz FIKGKLZQYAHTSS-UHFFFAOYSA-N 0 0 310.353 3.334 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)Cc1ncc(Cl)cn1 ZINC001235412866 1099009413 /nfs/dbraw/zinc/00/94/13/1099009413.db2.gz JVRXQZNJMDXZGC-UHFFFAOYSA-N 0 0 316.836 3.362 20 10 DGCDRN CN(C)c1ccc(CN(C)Cc2nc3cc(F)ccc3[nH]2)cc1 ZINC001235700927 1099134899 /nfs/dbraw/zinc/13/48/99/1099134899.db2.gz NDKPHDONEUWKNQ-UHFFFAOYSA-N 0 0 312.392 3.400 20 10 DGCDRN Cc1noc(C2CC2)c1NCc1ccc(N2CCOCC2)cc1 ZINC001179588588 1099141278 /nfs/dbraw/zinc/14/12/78/1099141278.db2.gz HDSZKAUKJMJKRZ-UHFFFAOYSA-N 0 0 313.401 3.309 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001179686835 1099163297 /nfs/dbraw/zinc/16/32/97/1099163297.db2.gz BHGPYILLUOYMPH-WVOQPWCKSA-N 0 0 321.376 3.224 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)N2CC[C@@](C)(F)[C@H](F)C2)cc1 ZINC001180122885 1099321470 /nfs/dbraw/zinc/32/14/70/1099321470.db2.gz INWZMBVTBOBLGX-KIBVIPRGSA-N 0 0 308.372 3.064 20 10 DGCDRN [O-]c1c(Cl)cccc1CN1CC[NH2+]C[C@H]1c1ccc(F)cc1 ZINC001236128847 1099415820 /nfs/dbraw/zinc/41/58/20/1099415820.db2.gz JLYGOYCHRMSQSM-INIZCTEOSA-N 0 0 320.795 3.331 20 10 DGCDRN Nc1ccc(CN2CCOC[C@H]2c2ccc(Cl)cc2)cc1 ZINC001236181363 1099451633 /nfs/dbraw/zinc/45/16/33/1099451633.db2.gz IWIOPKDVSJYSAA-KRWDZBQOSA-N 0 0 302.805 3.496 20 10 DGCDRN Cc1c(C)n(Cc2ccco2)c2ncnc(-c3ccc(N)nc3)c12 ZINC001236311870 1099528255 /nfs/dbraw/zinc/52/82/55/1099528255.db2.gz YTQNUOBTALSVKA-UHFFFAOYSA-N 0 0 319.368 3.334 20 10 DGCDRN COC[C@H]1CCC[N@@H+]1Cc1cc(C)cc(Br)c1[O-] ZINC001236662670 1099730173 /nfs/dbraw/zinc/73/01/73/1099730173.db2.gz GSYVXXOYZDMVOC-GFCCVEGCSA-N 0 0 314.223 3.074 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[N@@H+](CCCO)C(C)C)c1 ZINC001236663216 1099730327 /nfs/dbraw/zinc/73/03/27/1099730327.db2.gz DTOKCFBGHKEHGL-UHFFFAOYSA-N 0 0 316.239 3.056 20 10 DGCDRN CCO[C@@H]1CC[N@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC001236671063 1099736559 /nfs/dbraw/zinc/73/65/59/1099736559.db2.gz RZQRFYZFSJOPSB-GFCCVEGCSA-N 0 0 314.223 3.074 20 10 DGCDRN C[C@@]1(F)CCCN(Cc2cc(O)c(Br)cc2O)C1 ZINC001236766866 1099776600 /nfs/dbraw/zinc/77/66/00/1099776600.db2.gz JHKRHXBYTWXERZ-CYBMUJFWSA-N 0 0 318.186 3.184 20 10 DGCDRN CCc1ccc(C[N@@H+]2CC[C@H](Oc3cccc(C)n3)C2)c(O)c1 ZINC001236788767 1099784588 /nfs/dbraw/zinc/78/45/88/1099784588.db2.gz QEISCZGFVRNMNO-KRWDZBQOSA-N 0 0 312.413 3.311 20 10 DGCDRN O=C1CCCN(Cc2cc(Cl)c(Cl)cc2O)C[C@H]1F ZINC001236794099 1099787605 /nfs/dbraw/zinc/78/76/05/1099787605.db2.gz PKIMIBBMNTUUFS-LLVKDONJSA-N 0 0 306.164 3.202 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])C[C@]1(C)O ZINC001236792027 1099788258 /nfs/dbraw/zinc/78/82/58/1099788258.db2.gz AKIGPRQDPCLQOS-OTYXRUKQSA-N 0 0 304.217 3.292 20 10 DGCDRN CCN(Cc1cccnc1)Cc1c(O)cc(OC)cc1Cl ZINC001236799314 1099793065 /nfs/dbraw/zinc/79/30/65/1099793065.db2.gz MNXLEPJAGMIZRB-UHFFFAOYSA-N 0 0 306.793 3.471 20 10 DGCDRN COc1cc(O)c(CN2CC(Oc3ccccc3)C2)c(Cl)c1 ZINC001236797951 1099793750 /nfs/dbraw/zinc/79/37/50/1099793750.db2.gz CIUHAVVWROYPLY-UHFFFAOYSA-N 0 0 319.788 3.317 20 10 DGCDRN COc1cc(O)c(CN2CC[C@H](CF)C(F)(F)C2)c(Cl)c1 ZINC001236800464 1099793866 /nfs/dbraw/zinc/79/38/66/1099793866.db2.gz ZETFUTJUOQVPSW-SECBINFHSA-N 0 0 323.742 3.481 20 10 DGCDRN COc1ccc(C[N@H+](C)CCc2ccccn2)c([O-])c1Cl ZINC001236804848 1099796067 /nfs/dbraw/zinc/79/60/67/1099796067.db2.gz BQNRHIXKYFLRTC-UHFFFAOYSA-N 0 0 306.793 3.124 20 10 DGCDRN COc1cc(O)c(CN2CC3(C2)C[C@@H](F)CS3)c(Cl)c1 ZINC001236809474 1099799886 /nfs/dbraw/zinc/79/98/86/1099799886.db2.gz VWCPGMVWVVUTTM-SECBINFHSA-N 0 0 317.813 3.084 20 10 DGCDRN CC(C)c1ccc(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c(O)c1 ZINC001237044361 1099942031 /nfs/dbraw/zinc/94/20/31/1099942031.db2.gz CHUUSWRRDWUEMR-HNNXBMFYSA-N 0 0 317.351 3.262 20 10 DGCDRN COc1cc(O)c(CN2CC3(CCC3)C2)c(Br)c1 ZINC001237058867 1099950018 /nfs/dbraw/zinc/95/00/18/1099950018.db2.gz BVCYYVAPRWWIOW-UHFFFAOYSA-N 0 0 312.207 3.149 20 10 DGCDRN CN(CC(=O)OC(C)(C)C)Cc1c(O)ccc(Cl)c1Cl ZINC001237080498 1099957575 /nfs/dbraw/zinc/95/75/75/1099957575.db2.gz SRKJPPGUOIRJJL-UHFFFAOYSA-N 0 0 320.216 3.473 20 10 DGCDRN C[C@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)[C@H]1CO ZINC001237077697 1099957999 /nfs/dbraw/zinc/95/79/99/1099957999.db2.gz JNDADOPHGALDSG-CABZTGNLSA-N 0 0 304.217 3.292 20 10 DGCDRN C[C@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2Cl)CC[C@@]1(C)O ZINC001237078096 1099959357 /nfs/dbraw/zinc/95/93/57/1099959357.db2.gz NSPZCTIWJMDGPA-LKFCYVNXSA-N 0 0 304.217 3.292 20 10 DGCDRN Oc1ccc(Cl)c(Cl)c1CN1CCc2ncncc2C1 ZINC001237080995 1099959381 /nfs/dbraw/zinc/95/93/81/1099959381.db2.gz JFBUVBXJXNLKPJ-UHFFFAOYSA-N 0 0 310.184 3.047 20 10 DGCDRN COC(=O)[C@H](C(C)C)N(C)Cc1c(O)ccc(Cl)c1Cl ZINC001237084593 1099961508 /nfs/dbraw/zinc/96/15/08/1099961508.db2.gz LOCRJILPXRHJLP-ZDUSSCGKSA-N 0 0 320.216 3.328 20 10 DGCDRN CC[N@H+](CCn1cccn1)Cc1c([O-])ccc(Cl)c1Cl ZINC001237084316 1099962246 /nfs/dbraw/zinc/96/22/46/1099962246.db2.gz JZTLSGZKLXMROV-UHFFFAOYSA-N 0 0 314.216 3.418 20 10 DGCDRN CO[C@H]1CCC[N@H+](Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237122021 1099981078 /nfs/dbraw/zinc/98/10/78/1099981078.db2.gz DLOUVCWKCXSIAV-NSHDSACASA-N 0 0 319.323 3.292 20 10 DGCDRN CC(=O)C1CCN(Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237122003 1099981937 /nfs/dbraw/zinc/98/19/37/1099981937.db2.gz DJGITGWXXIYGKR-UHFFFAOYSA-N 0 0 317.307 3.092 20 10 DGCDRN Oc1cccc(OC(F)(F)F)c1CN1C[C@@H](F)C[C@H]1CF ZINC001237121718 1099982407 /nfs/dbraw/zinc/98/24/07/1099982407.db2.gz YQMKOTJPPYSXCZ-IUCAKERBSA-N 0 0 311.250 3.173 20 10 DGCDRN Oc1ccc(F)c(Cl)c1CN1CCc2c(O)cccc2C1 ZINC001237122700 1099982486 /nfs/dbraw/zinc/98/24/86/1099982486.db2.gz WWMMCWGVVIAVOQ-UHFFFAOYSA-N 0 0 307.752 3.449 20 10 DGCDRN CC[NH+](CC)[C@H]1CCN(Cc2c(O)ccc(F)c2Cl)C1 ZINC001237126700 1099983981 /nfs/dbraw/zinc/98/39/81/1099983981.db2.gz PMGNTJFXSUUIAP-NSHDSACASA-N 0 0 300.805 3.101 20 10 DGCDRN CO[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2O)[C@@H](C)C1 ZINC001237139696 1099989631 /nfs/dbraw/zinc/98/96/31/1099989631.db2.gz BWWGQEBWTSQEQT-GWCFXTLKSA-N 0 0 303.324 3.410 20 10 DGCDRN Cc1cccc(O)c1C[N@@H+]1CCCC[C@H]1C(=O)OC(C)(C)C ZINC001237490187 1100141930 /nfs/dbraw/zinc/14/19/30/1100141930.db2.gz REUIUGDTATUAHM-HNNXBMFYSA-N 0 0 305.418 3.397 20 10 DGCDRN CCc1cccc(C)c1NC(=O)NCc1ccc(O)c(O)c1 ZINC001189998198 1100181123 /nfs/dbraw/zinc/18/11/23/1100181123.db2.gz HCIJJZACXSMLKN-UHFFFAOYSA-N 0 0 300.358 3.290 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2cc(F)cc(Cl)c2[O-])CCC[C@]1(C)O ZINC001237807938 1100253433 /nfs/dbraw/zinc/25/34/33/1100253433.db2.gz OSJPKVFGJRFJKN-BMIGLBTASA-N 0 0 301.789 3.168 20 10 DGCDRN CC[N@H+](Cc1cc(F)c(Cl)cc1[O-])C1CCN(C)CC1 ZINC001237935166 1100297042 /nfs/dbraw/zinc/29/70/42/1100297042.db2.gz AOBQMLFJAKXYLK-UHFFFAOYSA-N 0 0 300.805 3.101 20 10 DGCDRN Oc1cc(Cl)c(F)cc1CN1CCN(Cc2ccco2)CC1 ZINC001237935500 1100296090 /nfs/dbraw/zinc/29/60/90/1100296090.db2.gz DVOGZNAJUGECNA-UHFFFAOYSA-N 0 0 324.783 3.096 20 10 DGCDRN CCOC(=O)[C@@H]1CCCCN1Cc1cc(F)c(Cl)cc1O ZINC001237937238 1100297011 /nfs/dbraw/zinc/29/70/11/1100297011.db2.gz ONICVEGCULPBMU-ZDUSSCGKSA-N 0 0 315.772 3.102 20 10 DGCDRN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001237950618 1100301480 /nfs/dbraw/zinc/30/14/80/1100301480.db2.gz YIVZNYVBHKZKEE-UHFFFAOYSA-N 0 0 307.752 3.449 20 10 DGCDRN Cc1cc(F)cc(CN2CCO[C@H](c3ccccc3)C2)c1O ZINC001238062754 1100346275 /nfs/dbraw/zinc/34/62/75/1100346275.db2.gz RCUOYIIEBFKSPI-KRWDZBQOSA-N 0 0 301.361 3.413 20 10 DGCDRN COc1cc2c(cc1OC)CN(Cc1cc(F)cc(C)c1O)C2 ZINC001238064789 1100349309 /nfs/dbraw/zinc/34/93/09/1100349309.db2.gz CDVOMGNXQMLOCK-UHFFFAOYSA-N 0 0 317.360 3.373 20 10 DGCDRN CCOC(=O)CN(Cc1cc(F)cc(C)c1O)C1CCCC1 ZINC001238065880 1100349364 /nfs/dbraw/zinc/34/93/64/1100349364.db2.gz GHCYTNFRYCXOMB-UHFFFAOYSA-N 0 0 309.381 3.147 20 10 DGCDRN COc1c(C)cc(C(=O)N2CCc3cccc(O)c3C2)cc1C ZINC001191065891 1100390946 /nfs/dbraw/zinc/39/09/46/1100390946.db2.gz IWUZZVHYIIRCCS-UHFFFAOYSA-N 0 0 311.381 3.216 20 10 DGCDRN COc1cnc(CN2CCc3cccc(O)c3C2)c(Cl)c1 ZINC001238495622 1100458463 /nfs/dbraw/zinc/45/84/63/1100458463.db2.gz ZETQDDKLQWGYEG-UHFFFAOYSA-N 0 0 304.777 3.008 20 10 DGCDRN COc1cc(C(=O)N[C@@H]2C[C@H](C)CC(C)(C)C2)cc(OC)n1 ZINC001192422100 1100615368 /nfs/dbraw/zinc/61/53/68/1100615368.db2.gz CFPBUVBAYMIJRH-WCQYABFASA-N 0 0 306.406 3.043 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2ccc(C(C)(C)O)cc2)c(O)c1 ZINC001192600545 1100640586 /nfs/dbraw/zinc/64/05/86/1100640586.db2.gz SNZSLFCPHCIUEA-UHFFFAOYSA-N 0 0 313.397 3.166 20 10 DGCDRN COc1cc(C(=O)NC(C)(C)c2ccccc2C)cc(O)c1O ZINC001193119179 1100708362 /nfs/dbraw/zinc/70/83/62/1100708362.db2.gz FJUHSIAQIRMDOX-UHFFFAOYSA-N 0 0 315.369 3.080 20 10 DGCDRN O=C(NC1CC2(C1)CC(F)(F)C2)c1ccc(O)c(O)c1Cl ZINC001193247128 1100720335 /nfs/dbraw/zinc/72/03/35/1100720335.db2.gz MAPVYXGOHYQEHK-UHFFFAOYSA-N 0 0 317.719 3.059 20 10 DGCDRN O=C(NC[C@H]1CCc2ccccc21)c1ccc(O)c(O)c1Cl ZINC001193246963 1100720500 /nfs/dbraw/zinc/72/05/00/1100720500.db2.gz FTRIOQAIAXONRU-LLVKDONJSA-N 0 0 317.772 3.211 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(C(=O)OC(C)C)C1 ZINC001193477295 1100749153 /nfs/dbraw/zinc/74/91/53/1100749153.db2.gz XCGFHJHBNSKSNZ-UHFFFAOYSA-N 0 0 302.374 3.090 20 10 DGCDRN CC(C)c1csc(C(=O)N2CCc3cccc(O)c3C2)n1 ZINC001193510925 1100758559 /nfs/dbraw/zinc/75/85/59/1100758559.db2.gz MEVCQJNTKFLCHU-UHFFFAOYSA-N 0 0 302.399 3.171 20 10 DGCDRN CN(C)C(=O)c1ccc(-c2ccc(C3=S=CC=C3)nc2)cc1 ZINC001239801002 1100759435 /nfs/dbraw/zinc/75/94/35/1100759435.db2.gz KDNKZZXNLHGVHD-UHFFFAOYSA-N 0 0 308.406 3.076 20 10 DGCDRN CCCn1cc(-c2cc(N3CCc4ccccc43)ncn2)cn1 ZINC001240130461 1100874320 /nfs/dbraw/zinc/87/43/20/1100874320.db2.gz WMOLZTAAHMXMLI-UHFFFAOYSA-N 0 0 305.385 3.444 20 10 DGCDRN Cc1nn(C)c(C)c1-c1ccn(Cc2ccccc2F)c(=O)c1 ZINC001240147597 1100878915 /nfs/dbraw/zinc/87/89/15/1100878915.db2.gz XOUTUFVOKGYFAT-UHFFFAOYSA-N 0 0 311.360 3.053 20 10 DGCDRN Cc1c(C)n(Cc2ccccc2)c2ncnc(-c3cn[nH]c3)c12 ZINC001240240575 1100905734 /nfs/dbraw/zinc/90/57/34/1100905734.db2.gz PKDBLFAJSQAGQU-UHFFFAOYSA-N 0 0 303.369 3.487 20 10 DGCDRN O=c1cc(-c2ccc(C(F)(F)F)nc2)ccn1CC(F)(F)F ZINC001240272723 1100920615 /nfs/dbraw/zinc/92/06/15/1100920615.db2.gz ZWLFEOWMRVJOMS-UHFFFAOYSA-N 0 0 322.208 3.491 20 10 DGCDRN O=c1cc(-c2cnc3[nH]ccc3c2)ccn1Cc1ccccc1 ZINC001240394116 1100975250 /nfs/dbraw/zinc/97/52/50/1100975250.db2.gz KXXBMETWGBVBRE-UHFFFAOYSA-N 0 0 301.349 3.392 20 10 DGCDRN CC[C@@H](C)COC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC001194789083 1101004227 /nfs/dbraw/zinc/00/42/27/1101004227.db2.gz YUHCBNYQPLWVHY-OAHLLOKOSA-N 0 0 320.433 3.138 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)OC[C@H](C)CC)CC2)cc1 ZINC001194796451 1101006379 /nfs/dbraw/zinc/00/63/79/1101006379.db2.gz ORTSMKXZQCYKDF-OAHLLOKOSA-N 0 0 320.433 3.390 20 10 DGCDRN CC[C@@H](C)OC(=O)N1CCN(c2ccc(OC)cc2C)CC1 ZINC001195113116 1101073361 /nfs/dbraw/zinc/07/33/61/1101073361.db2.gz WBPVYXFZHJJRDF-CQSZACIVSA-N 0 0 306.406 3.061 20 10 DGCDRN Cc1cc(C2=CCC3(CC2)OCCO3)ccc1N1CCOCC1 ZINC001240705403 1101104148 /nfs/dbraw/zinc/10/41/48/1101104148.db2.gz FNCNRMHVVXZBDE-UHFFFAOYSA-N 0 0 315.413 3.142 20 10 DGCDRN Cc1cc(-c2nccn2C)c(-c2cncc(C(F)(F)F)c2)nn1 ZINC001240787714 1101138870 /nfs/dbraw/zinc/13/88/70/1101138870.db2.gz DWHWNYWIFPOXBT-UHFFFAOYSA-N 0 0 319.290 3.266 20 10 DGCDRN COc1cccc(NC(=S)N[C@@H](C)c2ccccc2O)c1 ZINC001196069405 1101245404 /nfs/dbraw/zinc/24/54/04/1101245404.db2.gz TXIFEQKSJCJOGA-NSHDSACASA-N 0 0 302.399 3.448 20 10 DGCDRN CCOc1ccnc(CNC(=S)Nc2ccc(F)cc2C)c1 ZINC001196151982 1101259914 /nfs/dbraw/zinc/25/99/14/1101259914.db2.gz UMSSOBNNSBZLOP-UHFFFAOYSA-N 0 0 319.405 3.414 20 10 DGCDRN C[C@H](NC(=S)NCc1ccc(F)cc1)c1ccccc1O ZINC001196508660 1101325285 /nfs/dbraw/zinc/32/52/85/1101325285.db2.gz TXEADASZETUWHK-NSHDSACASA-N 0 0 304.390 3.257 20 10 DGCDRN CC(=O)c1ccc(NC(=S)NCc2cccc(C)c2O)cc1 ZINC001196579116 1101348207 /nfs/dbraw/zinc/34/82/07/1101348207.db2.gz DHEKOVIKIWAVEG-UHFFFAOYSA-N 0 0 314.410 3.390 20 10 DGCDRN CCOC(=O)Cc1ccncc1C1=CCN(c2ccccc2)CC1 ZINC001241354506 1101397726 /nfs/dbraw/zinc/39/77/26/1101397726.db2.gz BYIUGNFESVIRFN-UHFFFAOYSA-N 0 0 322.408 3.481 20 10 DGCDRN COC(=O)c1cncc(C2=CCN(c3ccccc3)CC2)c1C ZINC001241355007 1101399966 /nfs/dbraw/zinc/39/99/66/1101399966.db2.gz TTXZJXAAWDZBGC-UHFFFAOYSA-N 0 0 308.381 3.470 20 10 DGCDRN CN(C)c1ccccc1NC(=O)NCc1cccc(Cl)c1O ZINC001196919957 1101425300 /nfs/dbraw/zinc/42/53/00/1101425300.db2.gz XAEXGSLGOGVGGP-UHFFFAOYSA-N 0 0 319.792 3.433 20 10 DGCDRN CSc1ncc(-c2cc(N(C)c3ccccc3)ncn2)cn1 ZINC001241628762 1101593501 /nfs/dbraw/zinc/59/35/01/1101593501.db2.gz RKTFOONSLKBYCL-UHFFFAOYSA-N 0 0 309.398 3.423 20 10 DGCDRN CCOc1cccc(CNC(=S)Nc2cccc(F)c2)n1 ZINC001197667648 1101627961 /nfs/dbraw/zinc/62/79/61/1101627961.db2.gz KONBFNAJBJZRJT-UHFFFAOYSA-N 0 0 305.378 3.106 20 10 DGCDRN CCOc1ccc(NC(=O)NCc2c(O)cccc2F)cc1 ZINC001197805908 1101670299 /nfs/dbraw/zinc/67/02/99/1101670299.db2.gz QIPNCRSCGHAXTG-UHFFFAOYSA-N 0 0 304.321 3.252 20 10 DGCDRN COCCn1ccc(-c2ccc(-c3ccccc3)nc2)cc1=O ZINC001241795155 1101708743 /nfs/dbraw/zinc/70/87/43/1101708743.db2.gz ZAYPEJUQMHHGHS-UHFFFAOYSA-N 0 0 306.365 3.224 20 10 DGCDRN O=c1cc(-c2cncc(C3CC3)c2)ccn1Cc1cccnc1 ZINC001242197282 1101970040 /nfs/dbraw/zinc/97/00/40/1101970040.db2.gz UMLPRPYUUIIGFW-UHFFFAOYSA-N 0 0 303.365 3.231 20 10 DGCDRN Cc1ccc(F)c(CNC(=S)Nc2ccc(N(C)C)cc2)n1 ZINC001198780553 1101985030 /nfs/dbraw/zinc/98/50/30/1101985030.db2.gz PPCUWBYDEFYOCV-UHFFFAOYSA-N 0 0 318.421 3.082 20 10 DGCDRN O=c1cc(-c2cccnc2C(F)(F)F)ccn1CC(F)(F)F ZINC001242376741 1102089237 /nfs/dbraw/zinc/08/92/37/1102089237.db2.gz LHUMRYOWITXJER-UHFFFAOYSA-N 0 0 322.208 3.491 20 10 DGCDRN O=C(c1ccc(C2CCC2)nc1)N1CCc2cccc(O)c2C1 ZINC001199289246 1102100071 /nfs/dbraw/zinc/10/00/71/1102100071.db2.gz WPYIVSGQMIICMM-UHFFFAOYSA-N 0 0 308.381 3.253 20 10 DGCDRN O=c1cc(-c2cnn(C(F)(F)F)c2)ccn1Cc1ccccc1 ZINC001242464571 1102146532 /nfs/dbraw/zinc/14/65/32/1102146532.db2.gz KIGBRUOZDQBQJH-UHFFFAOYSA-N 0 0 319.286 3.236 20 10 DGCDRN Cc1cc(-c2nccn2C)c(-c2ccccc2-n2cccn2)nn1 ZINC001242709997 1102298540 /nfs/dbraw/zinc/29/85/40/1102298540.db2.gz MXYGNYRMSRBZEK-UHFFFAOYSA-N 0 0 316.368 3.038 20 10 DGCDRN COCCn1ccc(-c2ccccc2N2CCCCC2)cc1=O ZINC001242875053 1102395052 /nfs/dbraw/zinc/39/50/52/1102395052.db2.gz ATKQYQQTYBTTRT-UHFFFAOYSA-N 0 0 312.413 3.152 20 10 DGCDRN Oc1cccc(CNC(=S)Nc2ccccc2Cl)c1O ZINC001200866063 1102427617 /nfs/dbraw/zinc/42/76/17/1102427617.db2.gz KFWKQRFJVFYMST-UHFFFAOYSA-N 0 0 308.790 3.238 20 10 DGCDRN COCc1cncc(-c2ccn(Cc3ccccc3F)c(=O)c2)c1 ZINC001242957613 1102440083 /nfs/dbraw/zinc/44/00/83/1102440083.db2.gz ZHDUANZNGDMQKS-UHFFFAOYSA-N 0 0 324.355 3.244 20 10 DGCDRN Cc1cccc(CNC(=S)Nc2ccc(F)cc2F)c1O ZINC001200938636 1102452573 /nfs/dbraw/zinc/45/25/73/1102452573.db2.gz LHNGBSJHZZZXNJ-UHFFFAOYSA-N 0 0 308.353 3.465 20 10 DGCDRN CN(C)c1ccc(/C=C/CNc2ccc(-n3nccn3)cc2)cc1 ZINC001201234419 1102524637 /nfs/dbraw/zinc/52/46/37/1102524637.db2.gz CDFRGAPCJFLSOF-ONEGZZNKSA-N 0 0 319.412 3.459 20 10 DGCDRN COc1ccc(NCc2ccc(N3CCCC3)cc2)cc1CO ZINC001201288453 1102538507 /nfs/dbraw/zinc/53/85/07/1102538507.db2.gz KYIHVVNWVBQIDE-UHFFFAOYSA-N 0 0 312.413 3.400 20 10 DGCDRN CSc1ncc(Cl)cc1-c1ccc2ncc(=O)n(C)c2c1 ZINC001243626641 1102864371 /nfs/dbraw/zinc/86/43/71/1102864371.db2.gz LJIOVYRVISROTJ-UHFFFAOYSA-N 0 0 317.801 3.371 20 10 DGCDRN CC(C)[C@H](CNC(=O)Cc1ccc(N)cc1)Nc1ccccc1 ZINC001325977979 1103174233 /nfs/dbraw/zinc/17/42/33/1103174233.db2.gz ZHZSPYJFNUSEAA-SFHVURJKSA-N 0 0 311.429 3.064 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2cnn(C(C)(C)CO)c2)cn1 ZINC001244106445 1103216588 /nfs/dbraw/zinc/21/65/88/1103216588.db2.gz QKWDDKTZTDGSMY-UHFFFAOYSA-N 0 0 310.401 3.080 20 10 DGCDRN CCn1cc(Cl)cc1C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC001545684137 1103345275 /nfs/dbraw/zinc/34/52/75/1103345275.db2.gz LMBBEBYVCBHEGX-JTQLQIEISA-N 0 0 322.792 3.367 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)/C=C\C=C(Cl)Cl)c1 ZINC001545684265 1103364197 /nfs/dbraw/zinc/36/41/97/1103364197.db2.gz QDBIBKGTRACJBF-LVCFMKKZSA-N 0 0 316.184 3.453 20 10 DGCDRN CC(C)CCO[C@H](C)C(=O)Nc1c2nonc2ccc1Cl ZINC001327167983 1103564216 /nfs/dbraw/zinc/56/42/16/1103564216.db2.gz VMZIXYWKNYITGM-SECBINFHSA-N 0 0 311.769 3.266 20 10 DGCDRN Cc1csc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC001327374392 1103633148 /nfs/dbraw/zinc/63/31/48/1103633148.db2.gz DMKNHCHGPBUTGJ-LBPRGKRZSA-N 0 0 317.458 3.187 20 10 DGCDRN Cc1cc([C@@H](C)NC(=O)NCCc2ccc(N)cc2)c(C)o1 ZINC001327471670 1103653527 /nfs/dbraw/zinc/65/35/27/1103653527.db2.gz XYNCKHCQAUPDFT-GFCCVEGCSA-N 0 0 301.390 3.082 20 10 DGCDRN C[C@@H](NC(=O)NC1CC2(CC2(F)F)C1)c1ccc(N(C)C)cc1 ZINC001327896233 1103758313 /nfs/dbraw/zinc/75/83/13/1103758313.db2.gz BSWMLDDYEITSSI-FFKNIBCLSA-N 0 0 323.387 3.301 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC001328089059 1103841623 /nfs/dbraw/zinc/84/16/23/1103841623.db2.gz WCTLZHFAZXVPIM-VNQPRFMTSA-N 0 0 322.399 3.392 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCC[C@H](F)C2)c1 ZINC001328144025 1103859439 /nfs/dbraw/zinc/85/94/39/1103859439.db2.gz YOWXWVHFWQWICV-SDDRHHMPSA-N 0 0 310.369 3.042 20 10 DGCDRN CC(C)CNC(=S)NCc1cc(Cl)c2cccnc2c1O ZINC001245264014 1103948964 /nfs/dbraw/zinc/94/89/64/1103948964.db2.gz TVUGZFCFUKAUQA-UHFFFAOYSA-N 0 0 323.849 3.214 20 10 DGCDRN C[C@H](CC(=O)Nc1c2nonc2ccc1Cl)[C@H]1CCCO1 ZINC001328696916 1104024212 /nfs/dbraw/zinc/02/42/12/1104024212.db2.gz HSLWVMADLAFPSN-LDYMZIIASA-N 0 0 309.753 3.020 20 10 DGCDRN COc1cc(F)cc(CNCc2cc(F)c(N(C)C)cc2F)c1 ZINC001328772497 1104063211 /nfs/dbraw/zinc/06/32/11/1104063211.db2.gz STHYFZYIIXWKAQ-UHFFFAOYSA-N 0 0 324.346 3.468 20 10 DGCDRN CC(C)n1cc2c(n1)[C@H](NC(=O)C1=CC(=O)CS1)CCC2 ZINC001329211772 1104189859 /nfs/dbraw/zinc/18/98/59/1104189859.db2.gz ZBTAQGHMQJROTM-GFCCVEGCSA-N 0 0 305.403 3.039 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCC[C@H](F)C1 ZINC001329235456 1104196235 /nfs/dbraw/zinc/19/62/35/1104196235.db2.gz FNLVNMCUKLKRCL-HOTGVXAUSA-N 0 0 319.424 3.367 20 10 DGCDRN C[C@@H]1CCCC[C@H]1OCC(=O)Nc1c2nonc2ccc1Cl ZINC001329517136 1104293642 /nfs/dbraw/zinc/29/36/42/1104293642.db2.gz AJGMMOFCSPYVAX-BXKDBHETSA-N 0 0 323.780 3.410 20 10 DGCDRN O=C(CCC1CCOCC1)Nc1c2nonc2ccc1Cl ZINC001329518831 1104296464 /nfs/dbraw/zinc/29/64/64/1104296464.db2.gz NWJVLMAPMJZTBA-UHFFFAOYSA-N 0 0 309.753 3.022 20 10 DGCDRN CN(C)c1cc(F)c(CNc2cnc3c(c2)COCC3)cc1F ZINC001329723157 1104372518 /nfs/dbraw/zinc/37/25/18/1104372518.db2.gz RIWBGGQSTOXLDZ-UHFFFAOYSA-N 0 0 319.355 3.111 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc(C(C)(C)C)nn2)c1 ZINC001329979735 1104444376 /nfs/dbraw/zinc/44/43/76/1104444376.db2.gz PCQDVRVGLXJYRW-UHFFFAOYSA-N 0 0 314.389 3.110 20 10 DGCDRN COc1ccc(N2CCC[C@@]23CCN(C2CCCC2)C3=O)cc1 ZINC001274790801 1104490248 /nfs/dbraw/zinc/49/02/48/1104490248.db2.gz LUPLAXHIIODFHK-IBGZPJMESA-N 0 0 314.429 3.209 20 10 DGCDRN COc1ccc(N2CCC3(C[C@H]3C(=O)NCC(C)C)CC2)cc1 ZINC001274790507 1104490537 /nfs/dbraw/zinc/49/05/37/1104490537.db2.gz JODKCEVBUKAVAE-KRWDZBQOSA-N 0 0 316.445 3.074 20 10 DGCDRN COc1cccc(CNc2ccc3c(cc(C)c(=O)n3C)c2)c1O ZINC001330214608 1104509452 /nfs/dbraw/zinc/50/94/52/1104509452.db2.gz YKIGNFIXGRGULJ-UHFFFAOYSA-N 0 0 324.380 3.173 20 10 DGCDRN COc1ccc(N2CC[C@]3(CCN(CC(C)C)C3=O)C2)c(C)c1 ZINC001274874387 1104526088 /nfs/dbraw/zinc/52/60/88/1104526088.db2.gz VXAAAHZFHBVEHX-LJQANCHMSA-N 0 0 316.445 3.088 20 10 DGCDRN COc1ccc(N2CC[C@@]3(CCN(CC(C)C)C3=O)C2)c(C)c1 ZINC001274874373 1104526915 /nfs/dbraw/zinc/52/69/15/1104526915.db2.gz VXAAAHZFHBVEHX-IBGZPJMESA-N 0 0 316.445 3.088 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H]2C2CCCCC2)c1 ZINC001246471192 1104552720 /nfs/dbraw/zinc/55/27/20/1104552720.db2.gz ORJUPPIAPIZJRS-JKSUJKDBSA-N 0 0 302.418 3.469 20 10 DGCDRN O=C1COc2cccc(NCc3ccc(N4CCCC4)cc3)c2N1 ZINC001330639198 1104601903 /nfs/dbraw/zinc/60/19/03/1104601903.db2.gz SUMBIKSHMFYIQX-UHFFFAOYSA-N 0 0 323.396 3.230 20 10 DGCDRN Fc1ccc(CNC(=S)Nc2c(F)cc(F)cc2F)nc1 ZINC001247452489 1104905453 /nfs/dbraw/zinc/90/54/53/1104905453.db2.gz NWKNNWCJDDDRDN-UHFFFAOYSA-N 0 0 315.295 3.125 20 10 DGCDRN Cc1ccc(F)c(-c2noc(Cc3ccc(O)c(O)c3)n2)c1 ZINC001247959484 1105021227 /nfs/dbraw/zinc/02/12/27/1105021227.db2.gz RIZYMHMVODNWPL-UHFFFAOYSA-N 0 0 300.289 3.186 20 10 DGCDRN CCOc1ccc(-c2noc(Cc3ccc(O)c(O)c3)n2)cc1 ZINC001247959486 1105021320 /nfs/dbraw/zinc/02/13/20/1105021320.db2.gz RJFJDKODMOGHPZ-UHFFFAOYSA-N 0 0 312.325 3.137 20 10 DGCDRN Oc1ccc(Cc2nc(-c3ccc(F)c(F)c3F)no2)cc1O ZINC001247958768 1105021599 /nfs/dbraw/zinc/02/15/99/1105021599.db2.gz CIFPJEUQXBUDES-UHFFFAOYSA-N 0 0 322.242 3.156 20 10 DGCDRN Cc1ccc(-c2noc(Cc3ccc(O)c(O)c3)n2)c(F)c1F ZINC001247959458 1105021639 /nfs/dbraw/zinc/02/16/39/1105021639.db2.gz QHFYUDROKSNTCC-UHFFFAOYSA-N 0 0 318.279 3.325 20 10 DGCDRN Nc1ccc(Cc2nc(-c3cccc4ccncc43)no2)cc1 ZINC001248183612 1105062732 /nfs/dbraw/zinc/06/27/32/1105062732.db2.gz KXIXUJQJXKBGIG-UHFFFAOYSA-N 0 0 302.337 3.458 20 10 DGCDRN CC(=O)C(=O)COC(=O)[C@H](CC(C)C)c1ccc(Cl)cc1 ZINC001327148424 1105126343 /nfs/dbraw/zinc/12/63/43/1105126343.db2.gz LWWITLXUVGYVFE-CQSZACIVSA-N 0 0 310.777 3.171 20 10 DGCDRN CN1CCN(Cc2cc(Cl)c(C(C)(C)C)cc2O)CCC1=O ZINC001248883446 1105186357 /nfs/dbraw/zinc/18/63/57/1105186357.db2.gz HLJXQAAEHHCFFK-UHFFFAOYSA-N 0 0 324.852 3.007 20 10 DGCDRN Cc1cc(C)c(NC(=S)NCc2ncccc2O)c(C)c1 ZINC001249740107 1105370629 /nfs/dbraw/zinc/37/06/29/1105370629.db2.gz HNTFCLOATITXKM-UHFFFAOYSA-N 0 0 301.415 3.199 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cc2c(ccnc2Cl)o1 ZINC001137345273 1105492321 /nfs/dbraw/zinc/49/23/21/1105492321.db2.gz AMVXQGYROQDUMO-UHFFFAOYSA-N 0 0 316.744 3.459 20 10 DGCDRN COc1ccc(F)c(N(CCO)c2ccc(N)cc2)c1Cl ZINC001250306715 1105494180 /nfs/dbraw/zinc/49/41/80/1105494180.db2.gz UNRUWZOKVOMWFG-UHFFFAOYSA-N 0 0 310.756 3.200 20 10 DGCDRN CCn1c2ccc(F)cc2nc1-c1cc(O)c(O)c(OC)c1 ZINC001250488436 1105524107 /nfs/dbraw/zinc/52/41/07/1105524107.db2.gz HOUWEKYILOTWJA-UHFFFAOYSA-N 0 0 302.305 3.282 20 10 DGCDRN [O-]c1c(Cl)cccc1CN1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001276379917 1105535855 /nfs/dbraw/zinc/53/58/55/1105535855.db2.gz BJJZQMYZWDRYIS-UHFFFAOYSA-N 0 0 320.864 3.496 20 10 DGCDRN Fc1cc2[nH]c(-c3ccc(N4CCOCC4)cc3)nc2c(F)c1 ZINC001250702405 1105563632 /nfs/dbraw/zinc/56/36/32/1105563632.db2.gz AKLSIASOKCXUCE-UHFFFAOYSA-N 0 0 315.323 3.345 20 10 DGCDRN CCCOc1ccccc1NC[C@@H](O)COc1cccc(F)c1 ZINC001250814494 1105588617 /nfs/dbraw/zinc/58/86/17/1105588617.db2.gz LYVZJIYHXTUOHT-OAHLLOKOSA-N 0 0 319.376 3.466 20 10 DGCDRN OC1CCN(c2ccc(-c3nc4c(cccc4F)[nH]3)cc2)CC1 ZINC001250858311 1105595080 /nfs/dbraw/zinc/59/50/80/1105595080.db2.gz VFSJHOJVAAVFBN-UHFFFAOYSA-N 0 0 311.360 3.330 20 10 DGCDRN Oc1cc(O)c(-c2nc3c(cc(F)c(Cl)c3F)[nH]2)cc1O ZINC001251355439 1105652587 /nfs/dbraw/zinc/65/25/87/1105652587.db2.gz LDEIOHNTVDSGRK-UHFFFAOYSA-N 0 0 312.659 3.278 20 10 DGCDRN COc1cccc(CNC(=O)NC[C@H]2CCCC(C)(C)C2)c1O ZINC001251913401 1105708785 /nfs/dbraw/zinc/70/87/85/1105708785.db2.gz CDTMODCCGPNBDL-ZDUSSCGKSA-N 0 0 320.433 3.416 20 10 DGCDRN CC(C)(O)CNc1ccc(Cl)cc1C(=O)c1ccccn1 ZINC001252362939 1105772137 /nfs/dbraw/zinc/77/21/37/1105772137.db2.gz ZLXKZUIOLKCRLQ-UHFFFAOYSA-N 0 0 304.777 3.149 20 10 DGCDRN CCc1ccc(-c2nnc(CCc3ccc(O)c(O)c3)o2)cc1 ZINC001252976276 1105863622 /nfs/dbraw/zinc/86/36/22/1105863622.db2.gz DZNZFJWIUYSQDF-UHFFFAOYSA-N 0 0 310.353 3.495 20 10 DGCDRN COc1cc(N(C)Cc2nc(C)sc2C)cc(OC)c1OC ZINC001253498687 1105946811 /nfs/dbraw/zinc/94/68/11/1105946811.db2.gz FGMNQAWETQRWQX-UHFFFAOYSA-N 0 0 322.430 3.422 20 10 DGCDRN OC[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001254010453 1106009582 /nfs/dbraw/zinc/00/95/82/1106009582.db2.gz GAGFVUVIEFXAEB-NRFANRHFSA-N 0 0 322.452 3.379 20 10 DGCDRN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(O)c(C)c2C)c1 ZINC001254786542 1106140567 /nfs/dbraw/zinc/14/05/67/1106140567.db2.gz ONXMHZCJSZTGGD-UHFFFAOYSA-N 0 0 305.399 3.427 20 10 DGCDRN O=C(NCCCSc1nccs1)c1ncc(Cl)s1 ZINC001256294203 1106400292 /nfs/dbraw/zinc/40/02/92/1106400292.db2.gz ZUQQXLOQDFXIBV-UHFFFAOYSA-N 0 0 319.864 3.165 20 10 DGCDRN CC[C@H](NC(C)=O)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256965439 1106517054 /nfs/dbraw/zinc/51/70/54/1106517054.db2.gz BIFTWHQRDQUMSR-HNNXBMFYSA-N 0 0 310.357 3.115 20 10 DGCDRN OCc1cccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)n1 ZINC001256978277 1106519843 /nfs/dbraw/zinc/51/98/43/1106519843.db2.gz FLHAGJJIHPWLQW-UHFFFAOYSA-N 0 0 318.336 3.082 20 10 DGCDRN CCCCCC[C@@H](C)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OC ZINC001257359981 1106573541 /nfs/dbraw/zinc/57/35/41/1106573541.db2.gz GONPSEWJCBRBFV-HIFRSBDPSA-N 0 0 323.433 3.130 20 10 DGCDRN C[C@@H]([NH2+]Cc1cnn2ccccc12)c1cc(F)cc(F)c1[O-] ZINC001257442857 1106590345 /nfs/dbraw/zinc/59/03/45/1106590345.db2.gz BKORBMIMISBTTQ-SNVBAGLBSA-N 0 0 303.312 3.169 20 10 DGCDRN COc1ccc(O)c([C@H](C)Nc2cnn(Cc3cccnc3)c2)c1 ZINC001320129724 1106890756 /nfs/dbraw/zinc/89/07/56/1106890756.db2.gz GDXIAQQTJAAMIN-ZDUSSCGKSA-N 0 0 324.384 3.214 20 10 DGCDRN Cc1ccc(S(=O)(=O)Nc2c(C)cc(O)cc2C)c(C)c1 ZINC001259101093 1107078351 /nfs/dbraw/zinc/07/83/51/1107078351.db2.gz NTNWZOSJJJISBK-UHFFFAOYSA-N 0 0 305.399 3.427 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3C(C)C)CC2)cc1 ZINC001320679173 1107100969 /nfs/dbraw/zinc/10/09/69/1107100969.db2.gz IECDUWFJFDUDQR-ZWKOTPCHSA-N 0 0 316.445 3.026 20 10 DGCDRN Cc1ccc(CS(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1 ZINC001259264117 1107109711 /nfs/dbraw/zinc/10/97/11/1107109711.db2.gz CVFGXUVIDLKPDK-UHFFFAOYSA-N 0 0 311.790 3.296 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1cc2cc(Cl)sc2[nH]1 ZINC001299572126 1107120216 /nfs/dbraw/zinc/12/02/16/1107120216.db2.gz BCISUUGJCDOIRU-UHFFFAOYSA-N 0 0 322.773 3.224 20 10 DGCDRN O=S(=O)(NCc1ccc(N2CCCCC2)cc1)C1CCCC1 ZINC001259802428 1107202656 /nfs/dbraw/zinc/20/26/56/1107202656.db2.gz AFHCYEWNSIWJJR-UHFFFAOYSA-N 0 0 322.474 3.039 20 10 DGCDRN O=C(COc1ccc(F)cc1)Nc1c2nonc2ccc1Cl ZINC001321103968 1107250375 /nfs/dbraw/zinc/25/03/75/1107250375.db2.gz ZLBZHCIMLXUOOJ-UHFFFAOYSA-N 0 0 321.695 3.033 20 10 DGCDRN Cc1cc(NS(=O)(=O)Cc2ccccc2Cl)ccc1O ZINC001260694271 1107299055 /nfs/dbraw/zinc/29/90/55/1107299055.db2.gz FVMHXBJALBODJT-UHFFFAOYSA-N 0 0 311.790 3.296 20 10 DGCDRN Cc1ccc2c(c1)S[C@H](C(=O)N1Cc3cccc(O)c3C1)C2 ZINC001262024101 1107581211 /nfs/dbraw/zinc/58/12/11/1107581211.db2.gz PEIYOPURPNLJIN-KRWDZBQOSA-N 0 0 311.406 3.260 20 10 DGCDRN CN1c2ccccc2C(=O)N[C@H]1c1ccc(N2CCCC2)cc1 ZINC001317944940 1107757406 /nfs/dbraw/zinc/75/74/06/1107757406.db2.gz XUELOLWARTYUDA-GOSISDBHSA-N 0 0 307.397 3.165 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1CCS[C@H](C)[C@H]1C ZINC001263010822 1107902215 /nfs/dbraw/zinc/90/22/15/1107902215.db2.gz JIPBPNTZPALOBK-NXEZZACHSA-N 0 0 324.475 3.062 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1Cc2ccccc2C1 ZINC001263010770 1107902597 /nfs/dbraw/zinc/90/25/97/1107902597.db2.gz HSJJEIOTPHGDQE-UHFFFAOYSA-N 0 0 312.398 3.252 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001263010823 1107902731 /nfs/dbraw/zinc/90/27/31/1107902731.db2.gz JIPBPNTZPALOBK-UWVGGRQHSA-N 0 0 324.475 3.062 20 10 DGCDRN COc1cccc(CNC(=O)CSCc2cccs2)c1O ZINC001318304424 1107937012 /nfs/dbraw/zinc/93/70/12/1107937012.db2.gz UIIOGWAZXHFFAV-UHFFFAOYSA-N 0 0 323.439 3.012 20 10 DGCDRN O=C(NCc1ccccc1O)NC[C@@H]1C[C@H]1Cc1ccccc1 ZINC001263285459 1107997529 /nfs/dbraw/zinc/99/75/29/1107997529.db2.gz HMQKXPVBHDBNGW-SJORKVTESA-N 0 0 310.397 3.070 20 10 DGCDRN C[C@H](CC(N)=O)c1ccc(NCc2cccc(F)c2O)cc1 ZINC001474722922 1108034481 /nfs/dbraw/zinc/03/44/81/1108034481.db2.gz QTCDBDOIFYVBHS-LLVKDONJSA-N 0 0 302.349 3.122 20 10 DGCDRN COc1cc(C(=O)Nc2c3nonc3ccc2Cl)ccc1F ZINC001324142286 1108187838 /nfs/dbraw/zinc/18/78/38/1108187838.db2.gz ZMPBQQJTBPTCQZ-UHFFFAOYSA-N 0 0 321.695 3.276 20 10 DGCDRN O=C(NCc1cccc(O)c1O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC001263894364 1108287098 /nfs/dbraw/zinc/28/70/98/1108287098.db2.gz CWJLEDJOSMTJES-OXJNMPFZSA-N 0 0 323.392 3.008 20 10 DGCDRN CC1(C)C[C@@]1(C(=O)NCc1cccc(O)c1O)c1ccccc1 ZINC001263896218 1108288984 /nfs/dbraw/zinc/28/89/84/1108288984.db2.gz RZHBOGZILXWNNT-IBGZPJMESA-N 0 0 311.381 3.082 20 10 DGCDRN COC(=O)c1cnc(Sc2nc(C(C)(C)C)ns2)s1 ZINC001325191006 1108590613 /nfs/dbraw/zinc/59/06/13/1108590613.db2.gz BXHGKKQBBOTRKI-UHFFFAOYSA-N 0 0 315.445 3.230 20 10 DGCDRN Cc1csc(CCC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC001325340123 1108626059 /nfs/dbraw/zinc/62/60/59/1108626059.db2.gz NMJNSCPNBYTMBI-LLVKDONJSA-N 0 0 321.402 3.349 20 10 DGCDRN C[C@H](Nc1ccc(CCC(N)=O)cc1)c1cc(F)ccc1O ZINC001325356801 1108631127 /nfs/dbraw/zinc/63/11/27/1108631127.db2.gz MRIKCGKOUAWXSH-NSHDSACASA-N 0 0 302.349 3.122 20 10 DGCDRN c1cn(-c2cccc(NCc3ccc(N4CCCC4)cc3)c2)nn1 ZINC001319841402 1108658961 /nfs/dbraw/zinc/65/89/61/1108658961.db2.gz DZALGWPPRSJDRK-UHFFFAOYSA-N 0 0 319.412 3.480 20 10 DGCDRN Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCc1nn(C)cc1Cl ZINC000393288389 1108995018 /nfs/dbraw/zinc/99/50/18/1108995018.db2.gz KFFLZXSYLAEBDO-JQWIXIFHSA-N 0 0 305.809 3.426 20 10 DGCDRN Cc1cc(CNC(=O)c2ncccn2)c(C)n1-c1cccc(C)c1 ZINC001287661579 1110128407 /nfs/dbraw/zinc/12/84/07/1110128407.db2.gz RSDFHHXDGGMKHB-UHFFFAOYSA-N 0 0 320.396 3.123 20 10 DGCDRN CCCOC(=O)c1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC001290201319 1110237757 /nfs/dbraw/zinc/23/77/57/1110237757.db2.gz NNKYNUNFVIGMBO-UHFFFAOYSA-N 0 0 305.355 3.273 20 10 DGCDRN CN(Cc1ccccc1F)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001291813562 1110276831 /nfs/dbraw/zinc/27/68/31/1110276831.db2.gz QZVJWIOLCLEIRH-UHFFFAOYSA-N 0 0 314.320 3.260 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cc(-c3ccccc3)nn2C)c1 ZINC001301046517 1111080075 /nfs/dbraw/zinc/08/00/75/1111080075.db2.gz DODDYEYDVKDMQL-UHFFFAOYSA-N 0 0 321.380 3.031 20 10 DGCDRN O=C(c1nc(Cl)ccc1Cl)N1Cc2cccc(O)c2C1 ZINC001302787445 1111125391 /nfs/dbraw/zinc/12/53/91/1111125391.db2.gz NGMDXTYAZRYOAG-UHFFFAOYSA-N 0 0 309.152 3.250 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2C)c(O)c1O ZINC001303406187 1111142774 /nfs/dbraw/zinc/14/27/74/1111142774.db2.gz SAEFPQYBWZIYCY-NSHDSACASA-N 0 0 303.333 3.345 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1scnc1C1CCCC1 ZINC001304053216 1111164031 /nfs/dbraw/zinc/16/40/31/1111164031.db2.gz DUZYHYIEGBHUFM-UHFFFAOYSA-N 0 0 318.398 3.142 20 10 DGCDRN COc1ccc(CC(=O)NCc2c(O)ccc3ccccc32)cc1 ZINC001304090142 1111166029 /nfs/dbraw/zinc/16/60/29/1111166029.db2.gz YPNNYUBSCOAQBW-UHFFFAOYSA-N 0 0 321.376 3.413 20 10 DGCDRN CCOc1cc(N(Cc2ccc(N(C)C)cc2)C2CC2)ncn1 ZINC001306937224 1111252525 /nfs/dbraw/zinc/25/25/25/1111252525.db2.gz KIWFJWQMYHAVGF-UHFFFAOYSA-N 0 0 312.417 3.110 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+]CCc2cccnc2)c1 ZINC001308194464 1111394435 /nfs/dbraw/zinc/39/44/35/1111394435.db2.gz WLTLJNOJUKANDQ-UHFFFAOYSA-N 0 0 321.218 3.190 20 10 DGCDRN Cc1nc(-c2ccc(NCc3cc(F)cc(F)c3O)cc2)n[nH]1 ZINC001308337500 1111418311 /nfs/dbraw/zinc/41/83/11/1111418311.db2.gz OQYDEEWNPKDWPX-UHFFFAOYSA-N 0 0 316.311 3.376 20 10 DGCDRN COc1ccc(NC/C=C/c2ccc(N(C)C)cc2)c(OC)n1 ZINC001308339034 1111418366 /nfs/dbraw/zinc/41/83/66/1111418366.db2.gz BMKFUILHEVIZSQ-AATRIKPKSA-N 0 0 313.401 3.290 20 10 DGCDRN O=C1NCCc2cc(NCc3c(O)ccc(Cl)c3F)ccc21 ZINC001308461483 1111431657 /nfs/dbraw/zinc/43/16/57/1111431657.db2.gz QQLLPKHQHNDCOW-UHFFFAOYSA-N 0 0 320.751 3.083 20 10 DGCDRN C[C@@H](C[N@H+](C)Cc1cc(F)c(F)cc1[O-])C(=O)OC(C)(C)C ZINC001308809780 1111477945 /nfs/dbraw/zinc/47/79/45/1111477945.db2.gz DTEASFSRMQXWJP-JTQLQIEISA-N 0 0 315.360 3.080 20 10 DGCDRN Cc1cc(O)c(CNc2cccc3c2CCNC3=O)c(Cl)c1 ZINC001308816886 1111479543 /nfs/dbraw/zinc/47/95/43/1111479543.db2.gz INAJEAXLHNTKPE-UHFFFAOYSA-N 0 0 316.788 3.252 20 10 DGCDRN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1Cc1cc(F)ccc1O ZINC001308851869 1111484562 /nfs/dbraw/zinc/48/45/62/1111484562.db2.gz NILCTAAUPGOVGK-BXUZGUMPSA-N 0 0 309.381 3.226 20 10 DGCDRN COc1ccc(N(C)Cc2cc(F)c(OC)cc2OC)cc1 ZINC001308851203 1111484984 /nfs/dbraw/zinc/48/49/84/1111484984.db2.gz PPLVPVGZFDZORU-UHFFFAOYSA-N 0 0 305.349 3.488 20 10 DGCDRN COc1ccc(NCc2ccc(Br)cc2O)nc1 ZINC001308857014 1111485633 /nfs/dbraw/zinc/48/56/33/1111485633.db2.gz NYEFMLQGNPRUIA-UHFFFAOYSA-N 0 0 309.163 3.170 20 10 DGCDRN COC1(C(F)(F)F)CN(C/C=C\c2ccc(N(C)C)cc2)C1 ZINC001308956146 1111499998 /nfs/dbraw/zinc/49/99/98/1111499998.db2.gz GRVDTGDSTMTQHO-PLNGDYQASA-N 0 0 314.351 3.029 20 10 DGCDRN O=C(NCc1c(O)cccc1F)Nc1ccccc1OCCF ZINC001310774853 1111571006 /nfs/dbraw/zinc/57/10/06/1111571006.db2.gz OGHKJESFIHOREO-UHFFFAOYSA-N 0 0 322.311 3.201 20 10 DGCDRN COC(=O)c1ccc(NC(=O)N[C@H](C)c2ccccc2O)s1 ZINC001311046323 1111580726 /nfs/dbraw/zinc/58/07/26/1111580726.db2.gz YOCJLQMROQRIOA-SECBINFHSA-N 0 0 320.370 3.123 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C(C)C)C1CC1 ZINC001311944169 1111628083 /nfs/dbraw/zinc/62/80/83/1111628083.db2.gz KSZMZDSUFKVYGE-KRWDZBQOSA-N 0 0 303.450 3.295 20 10 DGCDRN CC(C)[C@@H]1C[C@H]1CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC001312702968 1111667586 /nfs/dbraw/zinc/66/75/86/1111667586.db2.gz RLIJEXQLHWJPJP-HOCLYGCPSA-N 0 0 316.445 3.362 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@]1(C)CC1(C)C ZINC001312883715 1111679853 /nfs/dbraw/zinc/67/98/53/1111679853.db2.gz DPRWUTUKOJPVJO-AUUYWEPGSA-N 0 0 317.477 3.480 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1C(C)(C)C1(C)C ZINC000347724349 529785926 /nfs/dbraw/zinc/78/59/26/529785926.db2.gz NTLPWPPHDUOLSW-UHFFFAOYSA-N 0 0 302.418 3.160 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(F)cc(F)c1 ZINC000173197942 529786243 /nfs/dbraw/zinc/78/62/43/529786243.db2.gz KXGZROHPDYFLGH-UHFFFAOYSA-N 0 0 318.323 3.070 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2cnc(Cl)cc2C)c1 ZINC001623244795 1193923986 /nfs/dbraw/zinc/92/39/86/1193923986.db2.gz MNITVAXJUCMXCQ-UHFFFAOYSA-N 0 0 305.765 3.379 20 10 DGCDRN COc1cccc(CNC(=O)N[C@H](C)c2ccccc2C)c1O ZINC000073414858 191313232 /nfs/dbraw/zinc/31/32/32/191313232.db2.gz BXEAFDCPCMLSNL-CYBMUJFWSA-N 0 0 314.385 3.270 20 10 DGCDRN CCC[C@@H](C)CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000299524873 535323253 /nfs/dbraw/zinc/32/32/53/535323253.db2.gz PUDLAIDMLLQWIY-MRXNPFEDSA-N 0 0 318.461 3.308 20 10 DGCDRN CC[C@](C)(NC(=O)c1ccc(C)c(O)c1O)c1nc(C)cs1 ZINC000179516436 432060699 /nfs/dbraw/zinc/06/06/99/432060699.db2.gz HAQFKFADNQZUCR-INIZCTEOSA-N 0 0 320.414 3.226 20 10 DGCDRN Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2ccccc2O)o1 ZINC000179562302 432063199 /nfs/dbraw/zinc/06/31/99/432063199.db2.gz UFQHAXTYXLHSDG-KRWDZBQOSA-N 0 0 321.380 3.383 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1[O-] ZINC000170789515 432081600 /nfs/dbraw/zinc/08/16/00/432081600.db2.gz ACJQWNXEHUPMRA-GHMZBOCLSA-N 0 0 320.330 3.066 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCC[C@H]1F ZINC000454873283 242053234 /nfs/dbraw/zinc/05/32/34/242053234.db2.gz KLKPRWATWQLQRU-KGLIPLIRSA-N 0 0 303.381 3.177 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCc1ccc(O)cc1 ZINC000473271025 244329466 /nfs/dbraw/zinc/32/94/66/244329466.db2.gz SECMQYKVIDEUHN-UHFFFAOYSA-N 0 0 322.408 3.441 20 10 DGCDRN Cc1ccc([C@@H]2COCCN2Cc2ccc(N(C)C)cc2)o1 ZINC000093459573 193254827 /nfs/dbraw/zinc/25/48/27/193254827.db2.gz BRDOWWHSHRPSEE-KRWDZBQOSA-N 0 0 300.402 3.228 20 10 DGCDRN CCN(C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])c1ccncc1 ZINC000491843373 245571077 /nfs/dbraw/zinc/57/10/77/245571077.db2.gz HVNIKUQIBGDNHW-XQRVVYSFSA-N 0 0 315.304 3.195 20 10 DGCDRN O=C(/C=C\c1cncs1)N1CCOc2c(Cl)cccc21 ZINC000493252355 245926160 /nfs/dbraw/zinc/92/61/60/245926160.db2.gz AMOIXDNHNLXPRS-PLNGDYQASA-N 0 0 306.774 3.235 20 10 DGCDRN Cc1c(/C=C\C(=O)N(CC(F)F)c2ccc(F)cc2)cnn1C ZINC000493437981 245979330 /nfs/dbraw/zinc/97/93/30/245979330.db2.gz YYQMJQYOWWUOSF-BAQGIRSFSA-N 0 0 323.318 3.179 20 10 DGCDRN O=C(/C=C/c1cncs1)N(CC(F)(F)F)c1ccccn1 ZINC000493731274 246051189 /nfs/dbraw/zinc/05/11/89/246051189.db2.gz ZXNZBLLDHCSVIA-SNAWJCMRSA-N 0 0 313.304 3.147 20 10 DGCDRN COc1cncc(/C=C/C(=O)N(C)c2c(F)cccc2F)c1 ZINC000493817216 246075492 /nfs/dbraw/zinc/07/54/92/246075492.db2.gz IAGIZEKLWGOIRP-VOTSOKGWSA-N 0 0 304.296 3.045 20 10 DGCDRN COc1ccsc1C(=O)NCc1c(C)c2ccccc2n1C ZINC000348702735 533094446 /nfs/dbraw/zinc/09/44/46/533094446.db2.gz AXCJOHIAHBBIAK-UHFFFAOYSA-N 0 0 314.410 3.487 20 10 DGCDRN C[C@@H]1CCC[C@@H](C(=O)N2CCOc3cc(N(C)C)ccc32)C1 ZINC000173200466 296414470 /nfs/dbraw/zinc/41/44/70/296414470.db2.gz VEPMNRUVGSJKHP-ZIAGYGMSSA-N 0 0 302.418 3.304 20 10 DGCDRN COCc1nc(C)cc(N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000302477946 533280389 /nfs/dbraw/zinc/28/03/89/533280389.db2.gz XOOFWRDBJPOFSZ-CYBMUJFWSA-N 0 0 300.406 3.171 20 10 DGCDRN CO[C@@H](CC(C)C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000415556663 533366921 /nfs/dbraw/zinc/36/69/21/533366921.db2.gz GWLNJBVOLDCHSD-KRWDZBQOSA-N 0 0 302.418 3.164 20 10 DGCDRN COCC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccc(C)o1 ZINC000272240534 130011977 /nfs/dbraw/zinc/01/19/77/130011977.db2.gz GWHSDQGEXYNKBE-AWEZNQCLSA-N 0 0 320.345 3.069 20 10 DGCDRN CC(C)c1nc(C2CC[NH+](Cc3cccc(F)c3[O-])CC2)no1 ZINC000272327201 130020363 /nfs/dbraw/zinc/02/03/63/130020363.db2.gz VMFRHGUVPGHKPC-UHFFFAOYSA-N 0 0 319.380 3.417 20 10 DGCDRN Cc1ccccc1[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000272368207 130024202 /nfs/dbraw/zinc/02/42/02/130024202.db2.gz DCMYQTDYHJOMPS-DYLHUKMJSA-N 0 0 323.392 3.436 20 10 DGCDRN CCc1ncc(CN(C)c2cc(OC)c(OC)c(OC)c2)s1 ZINC000272533427 130039332 /nfs/dbraw/zinc/03/93/32/130039332.db2.gz NMWYYZQUWNJMII-UHFFFAOYSA-N 0 0 322.430 3.368 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)[C@]2(C)CCCOC2)C2CC2)cc1 ZINC000272656826 130050332 /nfs/dbraw/zinc/05/03/32/130050332.db2.gz ROMMDWWJTGVESG-LJQANCHMSA-N 0 0 316.445 3.060 20 10 DGCDRN Cc1ccc(C(=O)N2CC[C@@H](c3cccc(F)c3)C2)c(O)c1O ZINC000272717721 130057145 /nfs/dbraw/zinc/05/71/45/130057145.db2.gz DRLXXYOAYWBVHC-CYBMUJFWSA-N 0 0 315.344 3.175 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)NCc1ccc2c(c1)CCCN2C ZINC000272983924 130080170 /nfs/dbraw/zinc/08/01/70/130080170.db2.gz VCVXUSIVGOPWKJ-SOFGYWHQSA-N 0 0 321.424 3.102 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(OC)cc2)c1 ZINC000273367267 130112077 /nfs/dbraw/zinc/11/20/77/130112077.db2.gz FIJFVOPJNWVHIH-LBPRGKRZSA-N 0 0 315.369 3.038 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)c2nccs2)c1 ZINC000273395227 130116139 /nfs/dbraw/zinc/11/61/39/130116139.db2.gz FHNIXYAUVATNLF-GHMZBOCLSA-N 0 0 320.414 3.090 20 10 DGCDRN COCC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)c1ccco1 ZINC000273412448 130119172 /nfs/dbraw/zinc/11/91/72/130119172.db2.gz IAMJDBMOPVHNPS-WFASDCNBSA-N 0 0 305.374 3.422 20 10 DGCDRN C[C@@H]([NH2+]CCCc1nccs1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273449204 130123453 /nfs/dbraw/zinc/12/34/53/130123453.db2.gz FPIXIKKEESZRNO-SNVBAGLBSA-N 0 0 307.375 3.040 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccccc1N(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273469394 130125423 /nfs/dbraw/zinc/12/54/23/130125423.db2.gz JIVPSPRVZCRBKP-GFCCVEGCSA-N 0 0 315.373 3.217 20 10 DGCDRN C[C@H](N[C@H](CO)c1c(F)cccc1F)c1ccc(F)cc1O ZINC000273512986 130130073 /nfs/dbraw/zinc/13/00/73/130130073.db2.gz RZNLSGQAPVHSGM-LKFCYVNXSA-N 0 0 311.303 3.194 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)CCOC ZINC000273534646 130133503 /nfs/dbraw/zinc/13/35/03/130133503.db2.gz DUQRBGVUQCBINH-UHFFFAOYSA-N 0 0 306.450 3.164 20 10 DGCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc3c(c2)CCO3)c1 ZINC000273547806 130135195 /nfs/dbraw/zinc/13/51/95/130135195.db2.gz ZQZFEVKSVQXDEQ-LLVKDONJSA-N 0 0 313.353 3.287 20 10 DGCDRN Cc1cc(NS(=O)(=O)c2ccccc2C)c(C)c(C)c1O ZINC000274770060 130261031 /nfs/dbraw/zinc/26/10/31/130261031.db2.gz IMMANXKUHXLZDA-UHFFFAOYSA-N 0 0 305.399 3.427 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1cnns1 ZINC000276888682 130557243 /nfs/dbraw/zinc/55/72/43/130557243.db2.gz BUYBMWAPBKELMJ-UHFFFAOYSA-N 0 0 319.434 3.047 20 10 DGCDRN COC(C)(C)CC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000278679387 130712013 /nfs/dbraw/zinc/71/20/13/130712013.db2.gz DFISNFYPQNNRJP-UHFFFAOYSA-N 0 0 318.461 3.354 20 10 DGCDRN Cc1ccc2c(c1)CC[C@@H](C(=O)N(C)Cc1ccccc1O)O2 ZINC000280003699 130776392 /nfs/dbraw/zinc/77/63/92/130776392.db2.gz SGOCOWBAJXWROD-SFHVURJKSA-N 0 0 311.381 3.053 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)C[C@@H]1CCCC[C@H]1O ZINC000280734575 130815498 /nfs/dbraw/zinc/81/54/98/130815498.db2.gz IVJDLGHLISTGHN-GOEBONIOSA-N 0 0 305.418 3.072 20 10 DGCDRN CCOCC1(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000281531211 130868890 /nfs/dbraw/zinc/86/88/90/130868890.db2.gz VXRNGXMEEGXYJF-UHFFFAOYSA-N 0 0 316.445 3.060 20 10 DGCDRN CCCC[C@H](C)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000282227230 130908701 /nfs/dbraw/zinc/90/87/01/130908701.db2.gz ZEBHDQGJKDBMPP-INIZCTEOSA-N 0 0 318.461 3.308 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@H](OC)C(C)C ZINC000283547696 131002630 /nfs/dbraw/zinc/00/26/30/131002630.db2.gz DSAWKKJEIZZYGQ-KRWDZBQOSA-N 0 0 322.449 3.375 20 10 DGCDRN CC[C@H]([NH2+]CCCOC[C@@H]1CCCO1)c1ccc(F)cc1[O-] ZINC000285771061 131200987 /nfs/dbraw/zinc/20/09/87/131200987.db2.gz SUVXNPRPWZUFAM-HOCLYGCPSA-N 0 0 311.397 3.158 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cccc(C(=O)NC)c1)c1ccc(F)cc1[O-] ZINC000286272605 131227530 /nfs/dbraw/zinc/22/75/30/131227530.db2.gz VKDNANPSKDEJNG-MRXNPFEDSA-N 0 0 316.376 3.132 20 10 DGCDRN COc1cccc(CNC(=O)C(C2CCC2)C2CCC2)c1O ZINC000286732801 131248143 /nfs/dbraw/zinc/24/81/43/131248143.db2.gz JYWBOJUCEZJSKX-UHFFFAOYSA-N 0 0 303.402 3.233 20 10 DGCDRN COCC(C)(C)CCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000287035102 131260795 /nfs/dbraw/zinc/26/07/95/131260795.db2.gz LZMNJKXRLKHXIR-LBPRGKRZSA-N 0 0 310.394 3.404 20 10 DGCDRN CC(C)SCCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000287146997 131266072 /nfs/dbraw/zinc/26/60/72/131266072.db2.gz CGSIJCDJNKDLDR-UHFFFAOYSA-N 0 0 319.474 3.004 20 10 DGCDRN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000287360790 131277336 /nfs/dbraw/zinc/27/73/36/131277336.db2.gz OAEGRMVDMICFRB-WDEREUQCSA-N 0 0 320.330 3.264 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000287669317 131293674 /nfs/dbraw/zinc/29/36/74/131293674.db2.gz MCVAHGSYARCWAT-UFBFGSQYSA-N 0 0 319.232 3.216 20 10 DGCDRN CCC(=O)N1CC[C@H]([NH2+][C@H](CC)c2cccc(Cl)c2[O-])C1 ZINC000287771667 131299565 /nfs/dbraw/zinc/29/95/65/131299565.db2.gz RNLWAGYBGULVSC-SMDDNHRTSA-N 0 0 310.825 3.097 20 10 DGCDRN CC[C@@H]([NH2+]CCCOCCOC)c1cccc(Cl)c1[O-] ZINC000287876346 131304283 /nfs/dbraw/zinc/30/42/83/131304283.db2.gz YELRQNQDUIMJRS-CQSZACIVSA-N 0 0 301.814 3.139 20 10 DGCDRN CCCOc1ccc(CNCc2nccc(C(F)F)n2)c(O)c1 ZINC000288488622 131327495 /nfs/dbraw/zinc/32/74/95/131327495.db2.gz QQMYYMBAVDRARU-UHFFFAOYSA-N 0 0 323.343 3.198 20 10 DGCDRN CC(C)N(Cc1cn(C(C)C)nn1)Cc1ccc(N(C)C)cc1 ZINC000289095193 131358401 /nfs/dbraw/zinc/35/84/01/131358401.db2.gz LRXXSFUUKJODNS-UHFFFAOYSA-N 0 0 315.465 3.336 20 10 DGCDRN CCOc1cccc(CN2CCCC[C@H]2c2cc[nH]n2)c1O ZINC000289356174 131377947 /nfs/dbraw/zinc/37/79/47/131377947.db2.gz JUWBVCLCQYYRDD-HNNXBMFYSA-N 0 0 301.390 3.241 20 10 DGCDRN COc1ccc(C)cc1NC(=O)COc1ccc(N(C)C)cc1 ZINC000289487133 131390788 /nfs/dbraw/zinc/39/07/88/131390788.db2.gz YQZQELVESUGEAP-UHFFFAOYSA-N 0 0 314.385 3.087 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1nc(CC)no1 ZINC000296804887 131987821 /nfs/dbraw/zinc/98/78/21/131987821.db2.gz PQIUUPNEIFDCGQ-UHFFFAOYSA-N 0 0 318.377 3.172 20 10 DGCDRN COc1ccc(C2(C(=O)NCc3ccc(N)cc3)CCCC2)cc1 ZINC000297235723 132005202 /nfs/dbraw/zinc/00/52/02/132005202.db2.gz PGPIDQABWVHUQP-UHFFFAOYSA-N 0 0 324.424 3.406 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@H](OC)[C@@H](C)CC ZINC000297985361 132043470 /nfs/dbraw/zinc/04/34/70/132043470.db2.gz CCTKCVHZCBOCFS-YOEHRIQHSA-N 0 0 322.449 3.375 20 10 DGCDRN CCN(Cc1cc(=O)n2cccc(C)c2n1)c1ccc(OC)cc1 ZINC000299404330 132103432 /nfs/dbraw/zinc/10/34/32/132103432.db2.gz WTOGPOZIHAUGCA-UHFFFAOYSA-N 0 0 323.396 3.038 20 10 DGCDRN Cc1cc(C(=O)CCC(=O)NCc2ccccc2O)c(C)s1 ZINC000299608989 132113477 /nfs/dbraw/zinc/11/34/77/132113477.db2.gz XFINGUNIFHLHNI-UHFFFAOYSA-N 0 0 317.410 3.350 20 10 DGCDRN NC(=O)c1cccc(NCc2ccc(N3CCCCC3)cc2)c1 ZINC000120347267 132142890 /nfs/dbraw/zinc/14/28/90/132142890.db2.gz RYXQYBIZDAYAOD-UHFFFAOYSA-N 0 0 309.413 3.388 20 10 DGCDRN COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C2CC2)C(F)(F)F)c1 ZINC000287231346 292014411 /nfs/dbraw/zinc/01/44/11/292014411.db2.gz GQWXBFYLIZYQLZ-SDBXPKJASA-N 0 0 317.307 3.170 20 10 DGCDRN Cc1c2cc(OCCOC[C@H]3CCCO3)ccc2n(C)c1C ZINC000563862158 335068639 /nfs/dbraw/zinc/06/86/39/335068639.db2.gz KSYKQXBCXRTIRI-MRXNPFEDSA-N 0 0 303.402 3.370 20 10 DGCDRN C[C@@H](Nc1ccc(S(C)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000301061132 400100190 /nfs/dbraw/zinc/10/01/90/400100190.db2.gz CGAJGMRROUJERM-CYBMUJFWSA-N 0 0 318.442 3.329 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccc(O)cc1 ZINC000066698773 400110004 /nfs/dbraw/zinc/11/00/04/400110004.db2.gz YUYNYGSNBWRJLZ-UHFFFAOYSA-N 0 0 314.385 3.220 20 10 DGCDRN O=S(=O)(c1ccc(Sc2nccs2)cc1)C(F)F ZINC000092621822 400187148 /nfs/dbraw/zinc/18/71/48/400187148.db2.gz WFGRHTZBDWFZFL-UHFFFAOYSA-N 0 0 307.368 3.291 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cc1 ZINC000025962226 400248535 /nfs/dbraw/zinc/24/85/35/400248535.db2.gz FXIPZQBBMXWZHT-ROUUACIJSA-N 0 0 312.388 3.312 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1c(F)cccc1F ZINC000028334149 400288453 /nfs/dbraw/zinc/28/84/53/400288453.db2.gz PNZMUWFEQXGJPI-UHFFFAOYSA-N 0 0 316.351 3.495 20 10 DGCDRN Cc1cc(C(=O)NC[C@H]2CCOC2)c(C)n1-c1ccccc1C ZINC000042726942 400440552 /nfs/dbraw/zinc/44/05/52/400440552.db2.gz NHWQUJUHZOZBKK-MRXNPFEDSA-N 0 0 312.413 3.169 20 10 DGCDRN Cc1ccc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000045679425 400532443 /nfs/dbraw/zinc/53/24/43/400532443.db2.gz HHYZYZXMTCIPGK-UHFFFAOYSA-N 0 0 317.458 3.464 20 10 DGCDRN C[C@@H]1CN(c2ccc(CNc3ccccn3)cc2F)C[C@H](C)O1 ZINC000052457073 400732134 /nfs/dbraw/zinc/73/21/34/400732134.db2.gz HNYKDXBOFGFTHW-OKILXGFUSA-N 0 0 315.392 3.446 20 10 DGCDRN CCc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000054285095 400816724 /nfs/dbraw/zinc/81/67/24/400816724.db2.gz AZKKZUBVFGIKDG-UHFFFAOYSA-N 0 0 324.424 3.016 20 10 DGCDRN COc1ccccc1[C@@H](C)NC(=O)CSc1nccs1 ZINC000060737903 401134091 /nfs/dbraw/zinc/13/40/91/401134091.db2.gz VMYXPMSSORCZMM-SNVBAGLBSA-N 0 0 308.428 3.121 20 10 DGCDRN Fc1cccnc1NCc1ccc(N2CCSCC2)cc1 ZINC000084484380 401143251 /nfs/dbraw/zinc/14/32/51/401143251.db2.gz KYOVMWPMNIWBDN-UHFFFAOYSA-N 0 0 303.406 3.386 20 10 DGCDRN C[C@@H](Nc1cccc(F)n1)c1ccc(N2CCOCC2)cc1 ZINC000065280448 401262288 /nfs/dbraw/zinc/26/22/88/401262288.db2.gz SREGZJMMWDPJAF-CYBMUJFWSA-N 0 0 301.365 3.230 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(C(C)C)n[nH]1 ZINC000066096296 401292042 /nfs/dbraw/zinc/29/20/42/401292042.db2.gz LUJFEKYOTIVDBK-UHFFFAOYSA-N 0 0 301.390 3.291 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CCC(F)(F)[C@H](C)C2)cc1OC ZINC000291141787 286248474 /nfs/dbraw/zinc/24/84/74/286248474.db2.gz NZPIKNVAFYYEIS-SECBINFHSA-N 0 0 316.304 3.094 20 10 DGCDRN Cc1ccc([C@H]2CCN(C(=O)c3cccc(O)c3O)C2)c(C)c1 ZINC000280158200 292270761 /nfs/dbraw/zinc/27/07/61/292270761.db2.gz UPPQHRJOCJFAIY-AWEZNQCLSA-N 0 0 311.381 3.344 20 10 DGCDRN COCCC(C)(C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000273506450 292276563 /nfs/dbraw/zinc/27/65/63/292276563.db2.gz TUMCQZJYTVQTNB-UHFFFAOYSA-N 0 0 318.461 3.306 20 10 DGCDRN COc1ccc2c(c1)CCCCN2Cc1cn2cccnc2n1 ZINC000270886535 286389085 /nfs/dbraw/zinc/38/90/85/286389085.db2.gz OIHXZFHXJXOWSC-UHFFFAOYSA-N 0 0 308.385 3.081 20 10 DGCDRN CC[C@@H]1CCC[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000450045132 287065490 /nfs/dbraw/zinc/06/54/90/287065490.db2.gz FTLUHEPAOWFSDP-HIFRSBDPSA-N 0 0 302.418 3.304 20 10 DGCDRN CC(C)N(Cc1cccc(F)c1)C(=O)Cc1ccc(N)cc1 ZINC000269250247 432155362 /nfs/dbraw/zinc/15/53/62/432155362.db2.gz TWDRXKOYFURNIA-UHFFFAOYSA-N 0 0 300.377 3.388 20 10 DGCDRN C[C@@H](CC(=O)NCCc1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000269205901 432155475 /nfs/dbraw/zinc/15/54/75/432155475.db2.gz NDJBNQIUZGOSJI-LBPRGKRZSA-N 0 0 317.360 3.089 20 10 DGCDRN CC(C)n1c(CNC(=O)Cc2ccc(N)cc2)nc2ccccc21 ZINC000269267217 432157182 /nfs/dbraw/zinc/15/71/82/432157182.db2.gz PXWRAPIRWVHGPJ-UHFFFAOYSA-N 0 0 322.412 3.058 20 10 DGCDRN CSc1ccc(N(C)C(=O)/C=C/c2cnn(C)c2C)cc1 ZINC000270146474 432227161 /nfs/dbraw/zinc/22/71/61/432227161.db2.gz BTRCKKDDQDFANV-BJMVGYQFSA-N 0 0 301.415 3.127 20 10 DGCDRN Cc1cnc(NC(=O)NCc2ccc(N3CC=CC3)cc2)s1 ZINC000172592209 432222914 /nfs/dbraw/zinc/22/29/14/432222914.db2.gz OAJGNVZCZLFOPD-UHFFFAOYSA-N 0 0 314.414 3.149 20 10 DGCDRN C[C@@H]1CCCC[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000424706957 287280345 /nfs/dbraw/zinc/28/03/45/287280345.db2.gz ZSMVFJOIAOMXBX-HIFRSBDPSA-N 0 0 302.418 3.304 20 10 DGCDRN COC1(CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCC1 ZINC000276606266 228706612 /nfs/dbraw/zinc/70/66/12/228706612.db2.gz QQWAAMXXYOLNHY-UHFFFAOYSA-N 0 0 316.445 3.203 20 10 DGCDRN COc1cc(NCc2ccc(N(C)C)cc2)c(F)cc1[N+](=O)[O-] ZINC000301862737 228898087 /nfs/dbraw/zinc/89/80/87/228898087.db2.gz LNWVNJSOSQBYTJ-UHFFFAOYSA-N 0 0 319.336 3.421 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3C[C@@H]3C)ccc21 ZINC000343259512 229123098 /nfs/dbraw/zinc/12/30/98/229123098.db2.gz MQCDKKHLHXWOEF-LRDDRELGSA-N 0 0 314.429 3.290 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCCOC(C)C ZINC000348638347 229204663 /nfs/dbraw/zinc/20/46/63/229204663.db2.gz ZNTRKVXKUATPAW-UHFFFAOYSA-N 0 0 302.418 3.308 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCc1cncc(C)c1 ZINC000352080191 229242254 /nfs/dbraw/zinc/24/22/54/229242254.db2.gz VTLAIOJIGQLKRR-UHFFFAOYSA-N 0 0 321.424 3.439 20 10 DGCDRN CO[C@@H]1CCC[C@@H](C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000352078691 229243003 /nfs/dbraw/zinc/24/30/03/229243003.db2.gz ALWODGLLDGIXFY-HUUCEWRRSA-N 0 0 314.429 3.308 20 10 DGCDRN CC[C@H]([NH2+]C[C@H]1CCc2nccn2C1)c1ccc(F)cc1[O-] ZINC000287675872 288049962 /nfs/dbraw/zinc/04/99/62/288049962.db2.gz VZPUOQPYEZOQOV-DOMZBBRYSA-N 0 0 303.381 3.031 20 10 DGCDRN CC[C@H]([NH2+][C@H](COC)[C@@H]1CCCO1)c1cccc(Cl)c1[O-] ZINC000286972016 288085738 /nfs/dbraw/zinc/08/57/38/288085738.db2.gz IMJVGBIAAUGUTI-ZNMIVQPWSA-N 0 0 313.825 3.280 20 10 DGCDRN CCc1nnc(CN(c2ccc(OC)cc2)[C@H](C)C2CC2)o1 ZINC000109774428 431178086 /nfs/dbraw/zinc/17/80/86/431178086.db2.gz ZZLYHLGQINRWID-GFCCVEGCSA-N 0 0 301.390 3.446 20 10 DGCDRN COc1ccc2c(c1)CCN2C(=O)/C=C/c1cnc(C)s1 ZINC000112241088 431258145 /nfs/dbraw/zinc/25/81/45/431258145.db2.gz ONRXJSCCLXUXEA-GQCTYLIASA-N 0 0 300.383 3.063 20 10 DGCDRN Cc1nn(C)c(C)c1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000112018066 431246129 /nfs/dbraw/zinc/24/61/29/431246129.db2.gz YMSAMSIAJUJTRR-UHFFFAOYSA-N 0 0 314.216 3.339 20 10 DGCDRN CSc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)o1 ZINC000112241142 431258810 /nfs/dbraw/zinc/25/88/10/431258810.db2.gz QPTZKDQBOXVZLD-UHFFFAOYSA-N 0 0 308.378 3.137 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(F)(F)F ZINC000070286828 431248759 /nfs/dbraw/zinc/24/87/59/431248759.db2.gz NVYAVYWICXHZEI-UHFFFAOYSA-N 0 0 300.324 3.198 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cnnn1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000287168073 280190864 /nfs/dbraw/zinc/19/08/64/280190864.db2.gz CAWIJLGNPBSBNG-GFCCVEGCSA-N 0 0 315.204 3.068 20 10 DGCDRN C[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)c1cccs1 ZINC000078091896 431639273 /nfs/dbraw/zinc/63/92/73/431639273.db2.gz UDDJHGKAKIAKAD-LLVKDONJSA-N 0 0 306.406 3.373 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)Cc2cnn(C)c2)cc1 ZINC000025049453 431645554 /nfs/dbraw/zinc/64/55/54/431645554.db2.gz MHQIQHHVZQJJNW-UHFFFAOYSA-N 0 0 322.412 3.100 20 10 DGCDRN COc1cc(N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)ncn1 ZINC000121766039 431805083 /nfs/dbraw/zinc/80/50/83/431805083.db2.gz CFZFOHKIPXXQKR-UHFFFAOYSA-N 0 0 324.359 3.399 20 10 DGCDRN CC(C)c1csc(CNC(=O)N(C)Cc2ccccc2O)n1 ZINC000121903822 431807878 /nfs/dbraw/zinc/80/78/78/431807878.db2.gz SRSHJYUWKBUASY-UHFFFAOYSA-N 0 0 319.430 3.314 20 10 DGCDRN C[C@@H](CC1CCCCC1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000122181291 431817941 /nfs/dbraw/zinc/81/79/41/431817941.db2.gz GZKBEQXGDIEUJW-ZDUSSCGKSA-N 0 0 305.418 3.363 20 10 DGCDRN CC[C@H](C)[C@@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000182370208 280755037 /nfs/dbraw/zinc/75/50/37/280755037.db2.gz UMRLELCZKKBZPK-LSDHHAIUSA-N 0 0 304.434 3.026 20 10 DGCDRN CCC(=CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)CC ZINC000122520556 431836189 /nfs/dbraw/zinc/83/61/89/431836189.db2.gz JLSFPNXEXIKPBS-UHFFFAOYSA-N 0 0 320.408 3.025 20 10 DGCDRN Cc1cccc(C)c1CCNC(=O)N(C)Cc1ccccc1O ZINC000125377112 431923379 /nfs/dbraw/zinc/92/33/79/431923379.db2.gz RSLRVKFHZFAAMS-UHFFFAOYSA-N 0 0 312.413 3.393 20 10 DGCDRN C[C@@H](Cc1ccccc1F)NC(=O)N(C)Cc1ccccc1O ZINC000054623249 431972071 /nfs/dbraw/zinc/97/20/71/431972071.db2.gz FSUMAWRKIVOLRY-ZDUSSCGKSA-N 0 0 316.376 3.304 20 10 DGCDRN CSC(C)(C)CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000173292743 432270679 /nfs/dbraw/zinc/27/06/79/432270679.db2.gz VFVAODZWUUVNNF-UHFFFAOYSA-N 0 0 319.474 3.004 20 10 DGCDRN Cc1cc(C(=O)NC2=NCCS2)c(C)n1-c1ccccc1C ZINC000248129899 432270918 /nfs/dbraw/zinc/27/09/18/432270918.db2.gz WTQDUZVZVLAWRJ-UHFFFAOYSA-N 0 0 313.426 3.235 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)CC1CCCC1 ZINC000183488507 432297790 /nfs/dbraw/zinc/29/77/90/432297790.db2.gz DRMJWRMBDCGDNN-STQMWFEESA-N 0 0 305.418 3.361 20 10 DGCDRN Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000191431344 432262800 /nfs/dbraw/zinc/26/28/00/432262800.db2.gz JOHVIQRGSGBLSP-ZDUSSCGKSA-N 0 0 323.799 3.428 20 10 DGCDRN Cc1cc(F)cc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000173191205 432262924 /nfs/dbraw/zinc/26/29/24/432262924.db2.gz BRVAONBNYIVZBJ-UHFFFAOYSA-N 0 0 314.360 3.239 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1ccccc1 ZINC000173184561 432263207 /nfs/dbraw/zinc/26/32/07/432263207.db2.gz BMJLWRXXEPDHPJ-UHFFFAOYSA-N 0 0 310.397 3.111 20 10 DGCDRN CCOC(=O)COc1ccc(NCc2cc(C)ccc2O)cc1 ZINC000183917285 432335449 /nfs/dbraw/zinc/33/54/49/432335449.db2.gz DCRKKMMTOSKLCR-UHFFFAOYSA-N 0 0 315.369 3.255 20 10 DGCDRN Cc1ccnc(NC(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000184071525 432351853 /nfs/dbraw/zinc/35/18/53/432351853.db2.gz ZZYVPNUGSCTWHY-UHFFFAOYSA-N 0 0 310.401 3.312 20 10 DGCDRN Cc1nc(C)c(C(=O)NCc2c(O)ccc3c2CCCC3)s1 ZINC000174518838 432353846 /nfs/dbraw/zinc/35/38/46/432353846.db2.gz YJZIZLVAARGHLR-UHFFFAOYSA-N 0 0 316.426 3.274 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CCCCNC1=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000192650633 432397149 /nfs/dbraw/zinc/39/71/49/432397149.db2.gz APWVOUJQMONQJU-PELKAZGASA-N 0 0 317.216 3.018 20 10 DGCDRN CCOCc1cc(CN[C@H](CCO)c2ccco2)ccc1OC ZINC000184500111 432397628 /nfs/dbraw/zinc/39/76/28/432397628.db2.gz CWGRBTAOONYQEI-MRXNPFEDSA-N 0 0 319.401 3.038 20 10 DGCDRN C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192927455 432430173 /nfs/dbraw/zinc/43/01/73/432430173.db2.gz MNBXYAFRWKAIPN-SDBXPKJASA-N 0 0 322.257 3.218 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1ccc(F)cc1[O-] ZINC000184973223 432451265 /nfs/dbraw/zinc/45/12/65/432451265.db2.gz OQLXNUQSWQXFPP-CYBMUJFWSA-N 0 0 315.392 3.377 20 10 DGCDRN CC(=O)c1cc(F)cc(CN[C@@H](C)c2ncc(C)s2)c1O ZINC000185011415 432455664 /nfs/dbraw/zinc/45/56/64/432455664.db2.gz KNHCSWWHYWUXIS-VIFPVBQESA-N 0 0 308.378 3.350 20 10 DGCDRN CCNC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2O)cc1 ZINC000185027685 432457268 /nfs/dbraw/zinc/45/72/68/432457268.db2.gz SUEFNXOXTCAFHQ-AWEZNQCLSA-N 0 0 312.413 3.301 20 10 DGCDRN CN(C)c1ccc(CNc2ccc(C(=O)NC3CC3)cc2)cc1 ZINC000192745795 432408984 /nfs/dbraw/zinc/40/89/84/432408984.db2.gz QTERZLRGSYRALV-UHFFFAOYSA-N 0 0 309.413 3.257 20 10 DGCDRN COc1ccc(O)c([C@H](C)[NH2+]Cc2cnc(OC)c(Cl)c2)c1 ZINC000271855466 432426727 /nfs/dbraw/zinc/42/67/27/432426727.db2.gz SJDTUQMXIQMVOO-JTQLQIEISA-N 0 0 322.792 3.309 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(C)noc1C ZINC000175968610 432482131 /nfs/dbraw/zinc/48/21/31/432482131.db2.gz MBLQQLXKGJXOES-UHFFFAOYSA-N 0 0 301.390 3.020 20 10 DGCDRN CC(C)[C@H]1C[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCO1 ZINC000273546796 432609530 /nfs/dbraw/zinc/60/95/30/432609530.db2.gz ZODGCKSHKKJVGY-HWWQOWPSSA-N 0 0 308.378 3.155 20 10 DGCDRN CC(C)(C)c1nc(CC(=O)NCc2ccccc2O)cs1 ZINC000263790447 432577627 /nfs/dbraw/zinc/57/76/27/432577627.db2.gz XOSWUAQCXGIKDK-UHFFFAOYSA-N 0 0 304.415 3.005 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCC(C)(C)CC1 ZINC000186380922 432589427 /nfs/dbraw/zinc/58/94/27/432589427.db2.gz YFDMAGROFSRCOV-LBPRGKRZSA-N 0 0 305.418 3.361 20 10 DGCDRN Cc1scc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1C ZINC000186423885 432594653 /nfs/dbraw/zinc/59/46/53/432594653.db2.gz XSAAOQRSHRYFCY-SECBINFHSA-N 0 0 305.399 3.137 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc(C)c1F ZINC000186438634 432595653 /nfs/dbraw/zinc/59/56/53/432595653.db2.gz UUGAUSKFZSANKN-GFCCVEGCSA-N 0 0 317.360 3.215 20 10 DGCDRN O=C(Nc1cccc(COCC2CC2)c1)c1cccc(O)c1O ZINC000187022495 432642415 /nfs/dbraw/zinc/64/24/15/432642415.db2.gz MWNDVPIAJMBHDX-UHFFFAOYSA-N 0 0 313.353 3.277 20 10 DGCDRN COc1ccc(N(Cc2nc([C@H](C)OC)no2)C(C)C)cc1F ZINC000177668117 432648457 /nfs/dbraw/zinc/64/84/57/432648457.db2.gz YOLBNODWLXFIPK-NSHDSACASA-N 0 0 323.368 3.340 20 10 DGCDRN CSC[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000264511835 432653468 /nfs/dbraw/zinc/65/34/68/432653468.db2.gz NGAQGEKYVTYIJP-AWEZNQCLSA-N 0 0 308.491 3.489 20 10 DGCDRN CN(C)[C@@H](C[NH2+]Cc1cccc(Cl)c1[O-])c1ccccc1 ZINC000159730107 432694017 /nfs/dbraw/zinc/69/40/17/432694017.db2.gz KUSFURBKUGNZCV-INIZCTEOSA-N 0 0 304.821 3.438 20 10 DGCDRN O=C(COc1ccc(N2CCCC2)cc1)N1CCCCCC1 ZINC000178195338 432706053 /nfs/dbraw/zinc/70/60/53/432706053.db2.gz MGTSZTIVQVUWII-UHFFFAOYSA-N 0 0 302.418 3.068 20 10 DGCDRN C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000227689469 432714294 /nfs/dbraw/zinc/71/42/94/432714294.db2.gz OZIQXJSTGMAOHJ-MNOVXSKESA-N 0 0 312.385 3.095 20 10 DGCDRN Cc1nc2c(s1)[C@@H](N(C)C(=O)c1cccc(O)c1O)CCC2 ZINC000188472693 432726633 /nfs/dbraw/zinc/72/66/33/432726633.db2.gz OVIUYTNLNMECJG-LBPRGKRZSA-N 0 0 318.398 3.012 20 10 DGCDRN CN(CC[NH2+]Cc1cccc(Cl)c1[O-])C(=O)OC(C)(C)C ZINC000224576309 432683832 /nfs/dbraw/zinc/68/38/32/432683832.db2.gz UCWGCOWLWHKCDQ-UHFFFAOYSA-N 0 0 314.813 3.002 20 10 DGCDRN Cc1nccc(-c2cccc(NC(=O)c3cccc(O)c3O)c2)n1 ZINC000189055992 432761044 /nfs/dbraw/zinc/76/10/44/432761044.db2.gz NARFRMRHHCQAHP-UHFFFAOYSA-N 0 0 321.336 3.116 20 10 DGCDRN CCC(CC)c1cc(CNC(=O)c2c(F)ccc(O)c2O)on1 ZINC000276524768 432816233 /nfs/dbraw/zinc/81/62/33/432816233.db2.gz DDPLBUZNYPCBDH-UHFFFAOYSA-N 0 0 322.336 3.059 20 10 DGCDRN Cn1cc([C@H]2CSCCN2Cc2c(O)cccc2Cl)cn1 ZINC000276734377 432824381 /nfs/dbraw/zinc/82/43/81/432824381.db2.gz CDZGKKMBISQJFT-CQSZACIVSA-N 0 0 323.849 3.069 20 10 DGCDRN C[C@H](C(=O)[O-])[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000277245771 432831481 /nfs/dbraw/zinc/83/14/81/432831481.db2.gz JNYMAIGDQKYOEM-KSSFIOAISA-N 0 0 312.413 3.304 20 10 DGCDRN Nc1ccc(CCNC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)cc1 ZINC000238078273 432812462 /nfs/dbraw/zinc/81/24/62/432812462.db2.gz XPGUKAYQIFUUNW-PZJWPPBQSA-N 0 0 320.436 3.222 20 10 DGCDRN COc1cc(C)cc(C)c1S(=O)(=O)Nc1ccc(O)c(C)c1 ZINC000277386064 432844994 /nfs/dbraw/zinc/84/49/94/432844994.db2.gz BNTGZCALXJOXAJ-UHFFFAOYSA-N 0 0 321.398 3.127 20 10 DGCDRN Cc1nc(C)c(NC(=O)NCc2ccc(N(C)C)c(F)c2)s1 ZINC000268248810 432858231 /nfs/dbraw/zinc/85/82/31/432858231.db2.gz SFOIIJBGOAABLH-UHFFFAOYSA-N 0 0 322.409 3.287 20 10 DGCDRN Cc1ccc([C@H](C)NCc2ncc(C(F)(F)F)cn2)c(O)c1 ZINC000296602412 432924155 /nfs/dbraw/zinc/92/41/55/432924155.db2.gz VSTDMPHZEQURNO-JTQLQIEISA-N 0 0 311.307 3.360 20 10 DGCDRN COC[C@H](C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])OC ZINC000278643746 432897841 /nfs/dbraw/zinc/89/78/41/432897841.db2.gz HQCOQQPMYJLEDF-IUCAKERBSA-N 0 0 308.205 3.011 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@H]2CCCc3occc32)ccc1[N+](=O)[O-] ZINC000278616867 432898128 /nfs/dbraw/zinc/89/81/28/432898128.db2.gz FMAAJQKUCCNTNY-LBPRGKRZSA-N 0 0 318.329 3.069 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1[O-] ZINC000296402556 432904402 /nfs/dbraw/zinc/90/44/02/432904402.db2.gz UUSDDFDLEDMGQK-DAXOMENPSA-N 0 0 323.820 3.151 20 10 DGCDRN CCN(C)c1ccc([C@H](C)NCc2nnc(C(C)C)[nH]2)cc1 ZINC000296421196 432905682 /nfs/dbraw/zinc/90/56/82/432905682.db2.gz LIZWKEOIUPEBSE-ZDUSSCGKSA-N 0 0 301.438 3.235 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2cc(C3CC3)ccn2)cc1 ZINC000290146450 433002035 /nfs/dbraw/zinc/00/20/35/433002035.db2.gz PIWJOEHLVFETLO-UHFFFAOYSA-N 0 0 310.401 3.347 20 10 DGCDRN CCN(CC)c1ccc(CNCc2cn(C(C)C)nn2)cc1F ZINC000289804504 432974678 /nfs/dbraw/zinc/97/46/78/432974678.db2.gz RQDYNLJJKNTTCR-UHFFFAOYSA-N 0 0 319.428 3.134 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2conc2C2CC2)cc1 ZINC000289854893 432976096 /nfs/dbraw/zinc/97/60/96/432976096.db2.gz ODMNVMKIPSCUQT-UHFFFAOYSA-N 0 0 313.401 3.328 20 10 DGCDRN CC[C@@H]([NH2+]CCc1nnc(C)s1)c1cccc(Cl)c1[O-] ZINC000289926890 432978506 /nfs/dbraw/zinc/97/85/06/432978506.db2.gz VFSLOWYKRFCEOE-GFCCVEGCSA-N 0 0 311.838 3.489 20 10 DGCDRN COCc1nc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])cs1 ZINC000289911016 432978561 /nfs/dbraw/zinc/97/85/61/432978561.db2.gz UJAPVNRXZLDMLD-QMMMGPOBSA-N 0 0 314.357 3.124 20 10 DGCDRN CN(C)c1ccc(CN(C)Cc2cnccn2)c(C(F)(F)F)c1 ZINC000279635363 432988957 /nfs/dbraw/zinc/98/89/57/432988957.db2.gz LILKPQKRHNZWGK-UHFFFAOYSA-N 0 0 324.350 3.193 20 10 DGCDRN CCN(C[C@@H](O)c1ccccc1)c1ccc(OC)c(OC)c1 ZINC000279685777 432991193 /nfs/dbraw/zinc/99/11/93/432991193.db2.gz HIXFBHARRROIFI-MRXNPFEDSA-N 0 0 301.386 3.264 20 10 DGCDRN COc1cccc(CNC(=O)N[C@H](C)CCC=C(C)C)c1O ZINC000298001969 433038820 /nfs/dbraw/zinc/03/88/20/433038820.db2.gz DDRHPFVVONFECW-CYBMUJFWSA-N 0 0 306.406 3.335 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1CCc2cccnc21 ZINC000425278547 433144648 /nfs/dbraw/zinc/14/46/48/433144648.db2.gz GNUPUMXLGYNVHL-MRXNPFEDSA-N 0 0 319.408 3.228 20 10 DGCDRN CO[C@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000280786561 433173369 /nfs/dbraw/zinc/17/33/69/433173369.db2.gz KRKCGASPXYUWHY-SFHVURJKSA-N 0 0 316.445 3.060 20 10 DGCDRN Cc1nn(C(C)C)cc1/C=C1/SC(N2CCCCC2)=NC1=O ZINC000281081137 433257731 /nfs/dbraw/zinc/25/77/31/433257731.db2.gz UMILRFUITAPFJV-NTEUORMPSA-N 0 0 318.446 3.229 20 10 DGCDRN COc1cc(CCO)ccc1NCc1cccc(Cl)c1O ZINC000281077322 433258629 /nfs/dbraw/zinc/25/86/29/433258629.db2.gz UECJBKMDWMPEGV-UHFFFAOYSA-N 0 0 307.777 3.201 20 10 DGCDRN Cc1ccoc1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000291597771 433283318 /nfs/dbraw/zinc/28/33/18/433283318.db2.gz IFYCVHNHIZIQBB-UHFFFAOYSA-N 0 0 313.401 3.188 20 10 DGCDRN CC1(C)CN(Cc2cc3c(cc2O)OCO3)[C@H]1c1cccnc1 ZINC000291870259 433376241 /nfs/dbraw/zinc/37/62/41/433376241.db2.gz JUWGODHBKYDGMM-KRWDZBQOSA-N 0 0 312.369 3.099 20 10 DGCDRN CCN(C)c1ccc([C@H](C)NCc2ncnn2C(C)(C)C)cc1 ZINC000281939553 433436534 /nfs/dbraw/zinc/43/65/34/433436534.db2.gz BKCLCAXVHYKHDA-AWEZNQCLSA-N 0 0 315.465 3.340 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273430975 289981853 /nfs/dbraw/zinc/98/18/53/289981853.db2.gz VOJDUUFBEIPSOI-LBPRGKRZSA-N 0 0 315.373 3.217 20 10 DGCDRN C[C@H]1CCCC[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000424706962 290397672 /nfs/dbraw/zinc/39/76/72/290397672.db2.gz ZSMVFJOIAOMXBX-ZFWWWQNUSA-N 0 0 302.418 3.304 20 10 DGCDRN Cc1ccnc(NCc2ccc(N(C)C)c(F)c2)c1[N+](=O)[O-] ZINC000301302557 433497324 /nfs/dbraw/zinc/49/73/24/433497324.db2.gz RYQQXTMRTXEDAZ-UHFFFAOYSA-N 0 0 304.325 3.115 20 10 DGCDRN CC(C)(C)n1ncnc1COc1ccc(N2CCCC2)cc1 ZINC000282304816 433560514 /nfs/dbraw/zinc/56/05/14/433560514.db2.gz RUWQRDWKPADXTR-UHFFFAOYSA-N 0 0 300.406 3.212 20 10 DGCDRN CCCc1occc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000282363215 433578670 /nfs/dbraw/zinc/57/86/70/433578670.db2.gz OKLLSQLJCCWIFZ-NSHDSACASA-N 0 0 303.358 3.004 20 10 DGCDRN CCCCN(Cc1ncnn1C(C)C)Cc1ccccc1O ZINC000282358871 433581889 /nfs/dbraw/zinc/58/18/89/433581889.db2.gz DALYHFSIOREVCI-UHFFFAOYSA-N 0 0 302.422 3.367 20 10 DGCDRN CC(C)(C)OC(=O)c1cccc(NCc2ccccc2O)n1 ZINC000292623663 433584561 /nfs/dbraw/zinc/58/45/61/433584561.db2.gz ALKXDOYIGONSOO-UHFFFAOYSA-N 0 0 300.358 3.355 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cn(C(C)C)cn1 ZINC000282894242 433640101 /nfs/dbraw/zinc/64/01/01/433640101.db2.gz WKVROXWISBZFQH-UHFFFAOYSA-N 0 0 301.390 3.222 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCO[C@H](C)C1 ZINC000282429598 433605647 /nfs/dbraw/zinc/60/56/47/433605647.db2.gz HISVPVZASAKHTR-HUUCEWRRSA-N 0 0 305.418 3.336 20 10 DGCDRN CCCCN(Cc1nnc(OCC)s1)Cc1ccccc1O ZINC000282497280 433615872 /nfs/dbraw/zinc/61/58/72/433615872.db2.gz QNFYMUAJNBHDEG-UHFFFAOYSA-N 0 0 321.446 3.445 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Cc1ccc(C)nc1 ZINC000282622128 433620273 /nfs/dbraw/zinc/62/02/73/433620273.db2.gz ZZRHZXRBZIOALN-UHFFFAOYSA-N 0 0 312.413 3.467 20 10 DGCDRN CCC[C@@H](C)C(=O)NCC[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000293678563 433823079 /nfs/dbraw/zinc/82/30/79/433823079.db2.gz KDNMVFHGVVAMKB-IUODEOHRSA-N 0 0 310.413 3.124 20 10 DGCDRN C[C@H](Nc1ncc(Br)cn1)c1ccc(N(C)C)cc1 ZINC000302415726 433824102 /nfs/dbraw/zinc/82/41/02/433824102.db2.gz NJIXSPQNEHLMTD-JTQLQIEISA-N 0 0 321.222 3.478 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1nc(N)c2ccccc2n1 ZINC000301916570 433791089 /nfs/dbraw/zinc/79/10/89/433791089.db2.gz VWEMWNPACUXHKQ-UHFFFAOYSA-N 0 0 307.401 3.199 20 10 DGCDRN CCC[C@H](C)C(=O)NCC[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000293678565 433825257 /nfs/dbraw/zinc/82/52/57/433825257.db2.gz KDNMVFHGVVAMKB-SWLSCSKDSA-N 0 0 310.413 3.124 20 10 DGCDRN Cc1ccn(-c2ccc(N[C@@H](C)c3ccc(N(C)C)cc3)nn2)n1 ZINC000302393110 433820393 /nfs/dbraw/zinc/82/03/93/433820393.db2.gz JUBSVTGVDLLBSV-AWEZNQCLSA-N 0 0 322.416 3.210 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNc1nnc(-c2ccco2)o1 ZINC000344198295 433854633 /nfs/dbraw/zinc/85/46/33/433854633.db2.gz LKUDWAPUBLMBJD-UHFFFAOYSA-N 0 0 308.341 3.742 20 10 DGCDRN CC1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1c1ccncc1 ZINC000294082542 433988725 /nfs/dbraw/zinc/98/87/25/433988725.db2.gz XIJFDTGYOSHLOU-JXTAAOLFSA-N 0 0 324.380 3.116 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)CSC2CC2)C2CC2)cc1 ZINC000294306045 434077823 /nfs/dbraw/zinc/07/78/23/434077823.db2.gz JCIIWYGFJAKNKQ-UHFFFAOYSA-N 0 0 304.459 3.139 20 10 DGCDRN CC(C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000363619537 434100506 /nfs/dbraw/zinc/10/05/06/434100506.db2.gz HAYBMLUMZAJJKP-UHFFFAOYSA-N 0 0 312.360 3.029 20 10 DGCDRN O=C1CCN(Cc2cc(F)ccc2O)c2ccc(F)cc2N1 ZINC000378126528 434087694 /nfs/dbraw/zinc/08/76/94/434087694.db2.gz IVBUJFKPEVZWOD-UHFFFAOYSA-N 0 0 304.296 3.019 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)[C@H]3CC3(F)F)cc2)CC1 ZINC000294579253 434119375 /nfs/dbraw/zinc/11/93/75/434119375.db2.gz KPYQRSWVQVFYDD-OAHLLOKOSA-N 0 0 308.372 3.194 20 10 DGCDRN Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294764489 434142325 /nfs/dbraw/zinc/14/23/25/434142325.db2.gz SILMEDSWXCROCO-CYBMUJFWSA-N 0 0 309.772 3.085 20 10 DGCDRN COc1ccc(N(C[C@H]2CCNC(=O)CC2)[C@@H](C)C2CC2)cc1 ZINC000295019514 434159371 /nfs/dbraw/zinc/15/93/71/434159371.db2.gz UPZDQRRTIMTWAU-LSDHHAIUSA-N 0 0 316.445 3.216 20 10 DGCDRN COc1ccc(N(C[C@H]2CCNC(=O)CC2)[C@H](C)C2CC2)cc1 ZINC000295019510 434160146 /nfs/dbraw/zinc/16/01/46/434160146.db2.gz UPZDQRRTIMTWAU-HUUCEWRRSA-N 0 0 316.445 3.216 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@@H](O)CC1 ZINC000295081557 434188015 /nfs/dbraw/zinc/18/80/15/434188015.db2.gz ZKSCJPQYRBFYIF-CQSZACIVSA-N 0 0 318.442 3.143 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(O)cc1F ZINC000436990972 434199607 /nfs/dbraw/zinc/19/96/07/434199607.db2.gz RRCQUXYYUNTEQJ-UHFFFAOYSA-N 0 0 312.344 3.261 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000365268606 434294316 /nfs/dbraw/zinc/29/43/16/434294316.db2.gz ZDXUIGDYOPTUFI-LBPRGKRZSA-N 0 0 313.800 3.433 20 10 DGCDRN COC(=O)c1cnc(SCc2ccc(N(C)C)cc2)s1 ZINC000295351104 434323502 /nfs/dbraw/zinc/32/35/02/434323502.db2.gz QRGZJIQPEQBWFE-UHFFFAOYSA-N 0 0 308.428 3.288 20 10 DGCDRN COc1ccc(O)c(C[NH2+][C@H](c2cccs2)C(C)(C)CO)c1 ZINC000296037408 434485189 /nfs/dbraw/zinc/48/51/89/434485189.db2.gz OSXSOJITDWRPTI-MRXNPFEDSA-N 0 0 321.442 3.312 20 10 DGCDRN Cc1c[nH]c(-c2ccccc2NC(=O)c2ccc(C)c(O)c2O)n1 ZINC000367878967 434560076 /nfs/dbraw/zinc/56/00/76/434560076.db2.gz NAYQYYVQKADTLG-UHFFFAOYSA-N 0 0 323.352 3.357 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000367219527 434543124 /nfs/dbraw/zinc/54/31/24/434543124.db2.gz NQADUCKOMUGQHC-INMHGKMJSA-N 0 0 303.402 3.088 20 10 DGCDRN O=C(/C=C\c1cnc2ccccc2n1)N1CCOc2ccccc21 ZINC000490919774 295408966 /nfs/dbraw/zinc/40/89/66/295408966.db2.gz RKFCXZDGPRASKJ-KTKRTIGZSA-N 0 0 317.348 3.069 20 10 DGCDRN CN(C(=O)/C=C\c1c(Cl)nc2ccccn21)c1cccnc1 ZINC000491896468 434878275 /nfs/dbraw/zinc/87/82/75/434878275.db2.gz TXKTZAHMODQCGQ-FPLPWBNLSA-N 0 0 312.760 3.059 20 10 DGCDRN Cc1cccc(N(C)C(=O)/C=C\c2ccccc2-n2cccn2)n1 ZINC000492037797 434904348 /nfs/dbraw/zinc/90/43/48/434904348.db2.gz ZZUAXIOOPDUPSN-QXMHVHEDSA-N 0 0 318.380 3.252 20 10 DGCDRN Cc1cc(N(C)C(=O)/C=C\c2cnc3ccccc3n2)ccn1 ZINC000492619172 435023765 /nfs/dbraw/zinc/02/37/65/435023765.db2.gz ZWQFSSDKJWAVQA-FPLPWBNLSA-N 0 0 304.353 3.009 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@H](C)c2ccco2)c1 ZINC000528859016 435029579 /nfs/dbraw/zinc/02/95/79/435029579.db2.gz FUEOKLSJDFVDRD-NWDGAFQWSA-N 0 0 303.358 3.365 20 10 DGCDRN Cc1cocc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000528881695 435030486 /nfs/dbraw/zinc/03/04/86/435030486.db2.gz JJHWIWAMANUNSE-HNNXBMFYSA-N 0 0 315.369 3.115 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)N1C[C@H](C)C(=O)Nc2ccccc21 ZINC000492527870 435003932 /nfs/dbraw/zinc/00/39/32/435003932.db2.gz GJRKTYYQZFNJJK-NPQIQWPPSA-N 0 0 321.380 3.025 20 10 DGCDRN CCN(C(=O)C=Cc1c[nH]cn1)c1ccc(Br)cc1 ZINC000492853219 435061828 /nfs/dbraw/zinc/06/18/28/435061828.db2.gz BDYQYXYLCMLGPT-YVMONPNESA-N 0 0 320.190 3.239 20 10 DGCDRN COc1cccc2c1CCCN2C(=O)/C=C/c1cncs1 ZINC000492942221 435077278 /nfs/dbraw/zinc/07/72/78/435077278.db2.gz VCBJUCBUPIPSFH-BQYQJAHWSA-N 0 0 300.383 3.144 20 10 DGCDRN COc1cccc2c1CCCN2Cc1c[nH]nc1-c1cccnc1 ZINC000556909593 435036554 /nfs/dbraw/zinc/03/65/54/435036554.db2.gz HPYNQNWRIZWIKT-UHFFFAOYSA-N 0 0 320.396 3.433 20 10 DGCDRN Oc1cccc(Cl)c1CN1CCc2nc(C3CC3)ncc2C1 ZINC000529664050 435039200 /nfs/dbraw/zinc/03/92/00/435039200.db2.gz CCIDXATZADSMPQ-UHFFFAOYSA-N 0 0 315.804 3.271 20 10 DGCDRN CO[C@H]1Cc2ccccc2N(C(=O)/C=C\c2cccnc2C)C1 ZINC000493796656 435190679 /nfs/dbraw/zinc/19/06/79/435190679.db2.gz WRRJFHWNMODEQR-IBSYWUHOSA-N 0 0 308.381 3.008 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1(C(F)F)CCCC1 ZINC000567513020 435323917 /nfs/dbraw/zinc/32/39/17/435323917.db2.gz TUEBHAWYCUABAU-UHFFFAOYSA-N 0 0 324.371 3.304 20 10 DGCDRN CO[C@H](COc1ccc2c(c1)c(C)c(C)n2C)[C@@H]1CCOC1 ZINC000664097936 436557803 /nfs/dbraw/zinc/55/78/03/436557803.db2.gz HWOURQVOZDOYEZ-RDTXWAMCSA-N 0 0 303.402 3.225 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H](CCO)c1ccccc1 ZINC000293673389 335114658 /nfs/dbraw/zinc/11/46/58/335114658.db2.gz QUFNVBANZTVAIM-ZDUSSCGKSA-N 0 0 323.795 3.441 20 10 DGCDRN CC(C)C[C@H](CCO)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187742380 333237241 /nfs/dbraw/zinc/23/72/41/333237241.db2.gz RJDVTBMTVBUYDT-RYUDHWBXSA-N 0 0 301.377 3.366 20 10 DGCDRN Nc1ccc(CC(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000237880849 333524243 /nfs/dbraw/zinc/52/42/43/333524243.db2.gz IWTDMZYSAXGOQM-IBGZPJMESA-N 0 0 324.424 3.019 20 10 DGCDRN CCOC(=O)c1cccnc1NCc1ccc(N(C)C)c(F)c1 ZINC000302213145 336354191 /nfs/dbraw/zinc/35/41/91/336354191.db2.gz HRINSBMTTTXUTG-UHFFFAOYSA-N 0 0 317.364 3.076 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1ncnc2c(F)cccc12 ZINC000302768373 336368377 /nfs/dbraw/zinc/36/83/77/336368377.db2.gz AVOOJEHDNNAQAQ-SNVBAGLBSA-N 0 0 313.332 3.223 20 10 DGCDRN CN(C)c1ccc(CNc2cccc(-c3ncn(C)n3)c2)cc1 ZINC000181048104 337179521 /nfs/dbraw/zinc/17/95/21/337179521.db2.gz BGSXXHFTTDTJPF-UHFFFAOYSA-N 0 0 307.401 3.160 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)[C@H](C)CC(C)C)CC2)cc1 ZINC000185257385 337203719 /nfs/dbraw/zinc/20/37/19/337203719.db2.gz DVXYICNVBLXFII-MRXNPFEDSA-N 0 0 318.461 3.416 20 10 DGCDRN C[C@@H]1CCC[C@H]1CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000186833495 340516228 /nfs/dbraw/zinc/51/62/28/340516228.db2.gz IJWFERDTKIXRBR-KGLIPLIRSA-N 0 0 302.418 3.304 20 10 DGCDRN C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)NCc1cc(Br)ccc1O ZINC000529391533 340753858 /nfs/dbraw/zinc/75/38/58/340753858.db2.gz ZYSWRIWNUASDHS-YZMDESFKSA-N 0 0 324.218 3.063 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC([C@@H]3CCOC3)C2)cc1 ZINC000366846215 533718398 /nfs/dbraw/zinc/71/83/98/533718398.db2.gz OCBWULQRYDWKOD-QGZVFWFLSA-N 0 0 324.424 3.203 20 10 DGCDRN C[C@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1ccc(F)cc1[O-] ZINC000185313807 533855778 /nfs/dbraw/zinc/85/57/78/533855778.db2.gz OPUOZQOBXKWVCI-NSHDSACASA-N 0 0 312.385 3.049 20 10 DGCDRN C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)c1ccc(F)cc1[O-] ZINC000273475450 533899332 /nfs/dbraw/zinc/89/93/32/533899332.db2.gz SSCMWJKGXZCUKI-XJKSGUPXSA-N 0 0 303.377 3.176 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CC[C@@H](F)C1 ZINC000346291970 533971187 /nfs/dbraw/zinc/97/11/87/533971187.db2.gz AALXANBOSVRYPM-OLZOCXBDSA-N 0 0 303.381 3.177 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCCSC1 ZINC000349495466 533970421 /nfs/dbraw/zinc/97/04/21/533970421.db2.gz ULLFYEYUDWBWSM-ZDUSSCGKSA-N 0 0 317.458 3.182 20 10 DGCDRN COc1ccc(O)c(CN2CCc3c4ccccc4[nH]c3C2)c1 ZINC000180531342 534200479 /nfs/dbraw/zinc/20/04/79/534200479.db2.gz DCPKCTLSFIZXFV-UHFFFAOYSA-N 0 0 308.381 3.440 20 10 DGCDRN C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1c1ccccc1 ZINC000180826618 534274294 /nfs/dbraw/zinc/27/42/94/534274294.db2.gz VICGHQFUCQZQKK-RAQCGCRYSA-N 0 0 309.365 3.331 20 10 DGCDRN CC(=O)CC(C)(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000191681981 519373087 /nfs/dbraw/zinc/37/30/87/519373087.db2.gz QLUXYGRHPFBZQS-UHFFFAOYSA-N 0 0 304.434 3.106 20 10 DGCDRN CCO[C@@H](CCNC(=O)NCc1ccccc1O)C1CCCC1 ZINC000266982480 520298557 /nfs/dbraw/zinc/29/85/57/520298557.db2.gz NQMDBBFCFKCBDD-KRWDZBQOSA-N 0 0 320.433 3.177 20 10 DGCDRN CCCOc1cccc(CC(=O)N(C)Cc2ccccc2O)c1 ZINC000126713951 520447248 /nfs/dbraw/zinc/44/72/48/520447248.db2.gz ZLYZKNNGNMHSNW-UHFFFAOYSA-N 0 0 313.397 3.382 20 10 DGCDRN CCOc1cc2c(cc1NCc1ccccc1O)OCCO2 ZINC000189261153 520796910 /nfs/dbraw/zinc/79/69/10/520796910.db2.gz NJDXFILFCRCSCZ-UHFFFAOYSA-N 0 0 301.342 3.174 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC=CCC1 ZINC000172483066 521318499 /nfs/dbraw/zinc/31/84/99/521318499.db2.gz ZGSIHLNLJXXTII-INIZCTEOSA-N 0 0 301.434 3.393 20 10 DGCDRN CCCN(CCc1cccc(F)c1)C(=O)Cc1ccc(N)cc1 ZINC000237009870 521670939 /nfs/dbraw/zinc/67/09/39/521670939.db2.gz AOOPSYKSFIVRGR-UHFFFAOYSA-N 0 0 314.404 3.432 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1Cc2ccccc2O1 ZINC000175867487 521689345 /nfs/dbraw/zinc/68/93/45/521689345.db2.gz CVZJHFVRFAOOJA-SFHVURJKSA-N 0 0 311.381 3.135 20 10 DGCDRN CCS[C@H]1CCCCN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000177685494 521730348 /nfs/dbraw/zinc/73/03/48/521730348.db2.gz HOTXOXVLYYYSML-LBPRGKRZSA-N 0 0 309.431 3.154 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)Cc2cccc(O)c2)C2CC2)cc1 ZINC000263721146 522163827 /nfs/dbraw/zinc/16/38/27/522163827.db2.gz WTPCMTJDTYQNAI-UHFFFAOYSA-N 0 0 324.424 3.192 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C[C@@H]2OCCc3ccccc32)cc1 ZINC000115009908 522191849 /nfs/dbraw/zinc/19/18/49/522191849.db2.gz BUAKJCAKRJSRLN-IBGZPJMESA-N 0 0 324.424 3.073 20 10 DGCDRN COC[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(C)o1 ZINC000266960482 522750018 /nfs/dbraw/zinc/75/00/18/522750018.db2.gz JWZVKURDPITSCX-HNNXBMFYSA-N 0 0 306.381 3.270 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)nc1)c1ccc2c(c1)OCO2 ZINC000180759735 523262178 /nfs/dbraw/zinc/26/21/78/523262178.db2.gz MKCHIBWODBQKAO-UHFFFAOYSA-N 0 0 311.385 3.047 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC1CCC1 ZINC000265857567 523262519 /nfs/dbraw/zinc/26/25/19/523262519.db2.gz WTXJDYREWFKORY-UHFFFAOYSA-N 0 0 301.434 3.371 20 10 DGCDRN CC[C@H]1C[C@@H](C(=O)NCc2ccc(N(CC)CC)cc2)CCO1 ZINC000183211189 523363043 /nfs/dbraw/zinc/36/30/43/523363043.db2.gz PTELHEHZJFVNOO-WMZOPIPTSA-N 0 0 318.461 3.354 20 10 DGCDRN CCc1cc(O)ccc1NS(=O)(=O)c1ccc(OC)cc1C ZINC000189435394 523830313 /nfs/dbraw/zinc/83/03/13/523830313.db2.gz DALXIHWYUSTJJL-UHFFFAOYSA-N 0 0 321.398 3.072 20 10 DGCDRN COC(=O)[C@H](NCc1cc(F)ccc1O)c1cc(C)cc(C)c1 ZINC000189635507 523926966 /nfs/dbraw/zinc/92/69/66/523926966.db2.gz NYVGRWAVCJNYKS-QGZVFWFLSA-N 0 0 317.360 3.152 20 10 DGCDRN COC(=O)[C@H](NCc1cc(C)ccc1O)c1ccc(F)c(C)c1 ZINC000189605930 523927473 /nfs/dbraw/zinc/92/74/73/523927473.db2.gz JUDYQXZUJYLOPE-QGZVFWFLSA-N 0 0 317.360 3.152 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1ncoc1C ZINC000134458038 524219653 /nfs/dbraw/zinc/21/96/53/524219653.db2.gz FLMOMSWPNVSMBJ-UHFFFAOYSA-N 0 0 315.398 3.382 20 10 DGCDRN COc1ccc(N(C)Cc2nc(C(C)(C)C)no2)c(OC)c1 ZINC000131616639 524356022 /nfs/dbraw/zinc/35/60/22/524356022.db2.gz CQBMFFGQHLFCGC-UHFFFAOYSA-N 0 0 305.378 3.021 20 10 DGCDRN COc1ccccc1CN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000180756354 524437919 /nfs/dbraw/zinc/43/79/19/524437919.db2.gz LHCKHPXNMPNSGK-UHFFFAOYSA-N 0 0 317.385 3.357 20 10 DGCDRN C[C@H]1CCc2sc(C(=O)NCc3ccc(O)c(O)c3)cc2C1 ZINC000158942867 524445339 /nfs/dbraw/zinc/44/53/39/524445339.db2.gz DVCCVLBWMCIVEM-JTQLQIEISA-N 0 0 317.410 3.214 20 10 DGCDRN Cc1ccc(C[C@H]2CCCN2C(=O)Cc2ccc(N)cc2)cc1 ZINC000237827299 524685771 /nfs/dbraw/zinc/68/57/71/524685771.db2.gz RFBFSRYOHRQHLL-LJQANCHMSA-N 0 0 308.425 3.353 20 10 DGCDRN Cc1cc(NC(=O)CSc2ncc(C(C)(C)C)s2)no1 ZINC000164096437 525159448 /nfs/dbraw/zinc/15/94/48/525159448.db2.gz DQAHESIZZIBBBK-UHFFFAOYSA-N 0 0 311.432 3.468 20 10 DGCDRN C[C@](O)(CC[NH2+]Cc1cccc(Cl)c1[O-])c1ccccc1 ZINC000190275856 525166391 /nfs/dbraw/zinc/16/63/91/525166391.db2.gz UTNJTWDIXIZTEK-KRWDZBQOSA-N 0 0 305.805 3.433 20 10 DGCDRN C[C@H]([NH2+]CC[C@](C)(O)c1ccccc1)c1ccc(F)cc1[O-] ZINC000187927141 525366485 /nfs/dbraw/zinc/36/64/85/525366485.db2.gz BNFNMBDRVCYIMU-UGSOOPFHSA-N 0 0 303.377 3.480 20 10 DGCDRN CSCCCCCCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000184358881 525411676 /nfs/dbraw/zinc/41/16/76/525411676.db2.gz YOEBMQBMZWMEQL-VQHVLOKHSA-N 0 0 309.431 3.151 20 10 DGCDRN CSCCCCCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000186194797 525419779 /nfs/dbraw/zinc/41/97/79/525419779.db2.gz PZHDICHJJQEGAT-UHFFFAOYSA-N 0 0 323.506 3.427 20 10 DGCDRN Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])cc1 ZINC000191213087 525783747 /nfs/dbraw/zinc/78/37/47/525783747.db2.gz GFJLRZHTXGULPW-NHYWBVRUSA-N 0 0 307.340 3.363 20 10 DGCDRN COc1cccc(CNC(=O)[C@@H](C)Cc2ccc(C)cc2)c1O ZINC000182507177 525995120 /nfs/dbraw/zinc/99/51/20/525995120.db2.gz XNGCWMQDBOITHS-AWEZNQCLSA-N 0 0 313.397 3.204 20 10 DGCDRN Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)c(O)c1O ZINC000182577296 526125943 /nfs/dbraw/zinc/12/59/43/526125943.db2.gz BLKTYJNOMLLVJT-DZGCQCFKSA-N 0 0 311.381 3.424 20 10 DGCDRN Cc1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)co1 ZINC000188866210 526232545 /nfs/dbraw/zinc/23/25/45/526232545.db2.gz LUQPDVZEJQFILG-MRXNPFEDSA-N 0 0 315.369 3.115 20 10 DGCDRN C[C@H](CC(=O)NCc1ccc(O)c(O)c1)Cc1cccc(F)c1 ZINC000182538512 526242867 /nfs/dbraw/zinc/24/28/67/526242867.db2.gz HQHYABOFCDAYKY-LBPRGKRZSA-N 0 0 317.360 3.122 20 10 DGCDRN Cc1cc(C(=O)N2CCSC[C@H]2C)c(C)n1-c1ccccn1 ZINC000172455763 526257237 /nfs/dbraw/zinc/25/72/37/526257237.db2.gz IYFPKSCKWFPRRZ-CYBMUJFWSA-N 0 0 315.442 3.067 20 10 DGCDRN Fc1cc(CNc2ncccc2Cl)ccc1N1CCOCC1 ZINC000268025638 526298244 /nfs/dbraw/zinc/29/82/44/526298244.db2.gz IYHAFHPZNXUQFK-UHFFFAOYSA-N 0 0 321.783 3.323 20 10 DGCDRN Cc1nnc(CN(C)c2ccc(OCc3ccccc3)cc2)n1C ZINC000189646240 526333380 /nfs/dbraw/zinc/33/33/80/526333380.db2.gz UMTKAYLNKWCLQP-UHFFFAOYSA-N 0 0 322.412 3.339 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000159005479 526686699 /nfs/dbraw/zinc/68/66/99/526686699.db2.gz BRKQTIBWPQBOFZ-QWRGUYRKSA-N 0 0 317.307 3.083 20 10 DGCDRN Clc1cc(NCc2ccc(N3CCOCC3)cc2)ccn1 ZINC000129663017 526929664 /nfs/dbraw/zinc/92/96/64/526929664.db2.gz QLGMUDBBBHKMLO-UHFFFAOYSA-N 0 0 303.793 3.184 20 10 DGCDRN Nc1ccc(CC(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000237915181 527478120 /nfs/dbraw/zinc/47/81/20/527478120.db2.gz BKWGLNAAOCQHEQ-MJGOQNOKSA-N 0 0 308.425 3.339 20 10 DGCDRN Nc1ccc(CC(=O)Nc2ccc(N3CCCC3)c(F)c2)cc1 ZINC000237921609 527478266 /nfs/dbraw/zinc/47/82/66/527478266.db2.gz VQNQKJQYWVWSJW-UHFFFAOYSA-N 0 0 313.376 3.189 20 10 DGCDRN CC[C@@H](OC1CCCCC1)C(=O)NCc1cccc(OC)c1O ZINC000131043287 529244477 /nfs/dbraw/zinc/24/44/77/529244477.db2.gz RHYOPBQJJDCFNB-OAHLLOKOSA-N 0 0 321.417 3.145 20 10 DGCDRN CC(C)[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000272524741 535192480 /nfs/dbraw/zinc/19/24/80/535192480.db2.gz WDGVJYMTPYAWBO-QGZVFWFLSA-N 0 0 304.434 3.123 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H](O)c1ccc(OC)cc1)c1ccc(F)cc1[O-] ZINC000285811586 535907866 /nfs/dbraw/zinc/90/78/66/535907866.db2.gz VVSITTMKXJSASW-FUHWJXTLSA-N 0 0 319.376 3.314 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H](O)c1cccc(OC)c1)c1ccc(F)cc1[O-] ZINC000285987331 535908047 /nfs/dbraw/zinc/90/80/47/535908047.db2.gz HYVXNGKZTYYXCL-FUHWJXTLSA-N 0 0 319.376 3.314 20 10 DGCDRN CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NCc1ccc(O)c(O)c1 ZINC000272278849 536041093 /nfs/dbraw/zinc/04/10/93/536041093.db2.gz FJFSFWRADPHGRY-QEORTHHSSA-N 0 0 321.417 3.088 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC[C@@H]2CCO[C@H](C)C2)c1 ZINC000273497778 536793258 /nfs/dbraw/zinc/79/32/58/536793258.db2.gz YDPKNCDVIDSWEI-HZSPNIEDSA-N 0 0 321.417 3.035 20 10 DGCDRN CO[C@H](C)CCC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000272916330 536854076 /nfs/dbraw/zinc/85/40/76/536854076.db2.gz PEQFJSDRLHBQKI-CYBMUJFWSA-N 0 0 324.384 3.150 20 10 DGCDRN COc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273386002 536897077 /nfs/dbraw/zinc/89/70/77/536897077.db2.gz JLXMQKMZMNCMOF-NSHDSACASA-N 0 0 302.330 3.160 20 10 DGCDRN COc1cccc(CCC(=O)N(C)Cc2ccccc2O)c1F ZINC000285532404 537105505 /nfs/dbraw/zinc/10/55/05/537105505.db2.gz CQXURBBJMJUKCL-UHFFFAOYSA-N 0 0 317.360 3.131 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1nc(Cl)cs1 ZINC000278928598 546371702 /nfs/dbraw/zinc/37/17/02/546371702.db2.gz HUMPFZZYFWKZDK-UHFFFAOYSA-N 0 0 321.833 3.327 20 10 DGCDRN Cc1cc(C(=O)Nc2ncn(C)n2)c(C)n1-c1cc(C)cc(C)c1 ZINC000294747850 546423602 /nfs/dbraw/zinc/42/36/02/546423602.db2.gz YRQIZPUNHKOGKO-UHFFFAOYSA-N 0 0 323.400 3.092 20 10 DGCDRN C[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)C1CCCC1 ZINC000674097519 548036276 /nfs/dbraw/zinc/03/62/76/548036276.db2.gz HOUILMOVRNCKIV-CYBMUJFWSA-N 0 0 302.418 3.304 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(C)n2C)cc1F ZINC000731345768 574547589 /nfs/dbraw/zinc/54/75/89/574547589.db2.gz JCTHIJMCVFTDOM-UHFFFAOYSA-N 0 0 317.408 3.249 20 10 DGCDRN O=C(OCc1cc2c(c(Cl)c1)OCO2)C1=CC(=O)CS1 ZINC000731909657 574561778 /nfs/dbraw/zinc/56/17/78/574561778.db2.gz HWBFNINAQPKBHX-UHFFFAOYSA-N 0 0 312.730 3.193 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000732287568 574570900 /nfs/dbraw/zinc/57/09/00/574570900.db2.gz XFFVHNFEFDURRY-ZDUSSCGKSA-N 0 0 323.801 3.321 20 10 DGCDRN COCCOc1ccc(NC(=O)C2=CC(=O)CS2)c(C)c1 ZINC000732274543 574569798 /nfs/dbraw/zinc/56/97/98/574569798.db2.gz QTVCOUJJUGLGPF-UHFFFAOYSA-N 0 0 307.371 3.040 20 10 DGCDRN CN(c1ccccc1)C1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000732272840 574569839 /nfs/dbraw/zinc/56/98/39/574569839.db2.gz FARYVKVALOFWKG-UHFFFAOYSA-N 0 0 316.426 3.195 20 10 DGCDRN CCOC(=O)Nc1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000732272593 574569966 /nfs/dbraw/zinc/56/99/66/574569966.db2.gz XHNNEVGWWLKTPE-UHFFFAOYSA-N 0 0 306.343 3.274 20 10 DGCDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000732276620 574570168 /nfs/dbraw/zinc/57/01/68/574570168.db2.gz NBKGVWFBVPJIGN-SNVBAGLBSA-N 0 0 318.398 3.234 20 10 DGCDRN CCCCN(CCCC)C(=O)COC(=O)C1=CC(=O)CS1 ZINC000732353470 574572145 /nfs/dbraw/zinc/57/21/45/574572145.db2.gz QIMFGADZKFJVLF-UHFFFAOYSA-N 0 0 313.419 3.039 20 10 DGCDRN CC1(C)C[C@@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000732822397 574584121 /nfs/dbraw/zinc/58/41/21/574584121.db2.gz DRSRAMFIJSXXEX-OAHLLOKOSA-N 0 0 301.434 3.132 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)CO[C@@H]2CCC[C@@H](C)C2)c1 ZINC000733000015 574591199 /nfs/dbraw/zinc/59/11/99/574591199.db2.gz LVTMTIHLZPFTNM-VNHYZAJKSA-N 0 0 321.417 3.173 20 10 DGCDRN O=C(Nc1nc(-c2ccc(F)cc2)ns1)C1=CC(=O)CS1 ZINC000733003153 574591208 /nfs/dbraw/zinc/59/12/08/574591208.db2.gz XJMRDSOSKZERGB-UHFFFAOYSA-N 0 0 321.358 3.364 20 10 DGCDRN CCc1cc(N[C@H](C)c2ccc(N3CCOCC3)cc2)ncn1 ZINC000733188487 574606187 /nfs/dbraw/zinc/60/61/87/574606187.db2.gz GLRNWHBSOLPWDO-CQSZACIVSA-N 0 0 312.417 3.049 20 10 DGCDRN CC[C@@H](OC1CCCC1)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000733362202 574617954 /nfs/dbraw/zinc/61/79/54/574617954.db2.gz IGKOKPWLHZZDKR-YVEFUNNKSA-N 0 0 321.417 3.316 20 10 DGCDRN C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000733806637 574638997 /nfs/dbraw/zinc/63/89/97/574638997.db2.gz GMTDNZZYXNRQRA-UONOGXRCSA-N 0 0 322.474 3.180 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2cc3cc(C)ccc3[nH]2)c1 ZINC000734015478 574648087 /nfs/dbraw/zinc/64/80/87/574648087.db2.gz NDNDHSFFNZUISH-UHFFFAOYSA-N 0 0 310.353 3.121 20 10 DGCDRN CC[C@H](Cc1ccccc1)C(=O)NCc1cc(OC)ccc1O ZINC000734017057 574648095 /nfs/dbraw/zinc/64/80/95/574648095.db2.gz ZBJUCRWVPDXNHG-OAHLLOKOSA-N 0 0 313.397 3.286 20 10 DGCDRN CC(=O)c1ccc(C(=O)NCc2ccc(N(C)C)cc2C)s1 ZINC000734406216 574659998 /nfs/dbraw/zinc/65/99/98/574659998.db2.gz NSYHTBYLGRAOAR-UHFFFAOYSA-N 0 0 316.426 3.255 20 10 DGCDRN Cc1ccc(CCNC(=O)NCc2ccc(N(C)C)cc2C)o1 ZINC000734520084 574664826 /nfs/dbraw/zinc/66/48/26/574664826.db2.gz COIVLJDDBPMGDV-UHFFFAOYSA-N 0 0 315.417 3.004 20 10 DGCDRN C[C@@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)C(C)(C)C ZINC000734532395 574666789 /nfs/dbraw/zinc/66/67/89/574666789.db2.gz LQFWEFGUXCGWTF-LBPRGKRZSA-N 0 0 309.429 3.373 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1c(O)cccc1Cl ZINC000734558746 574667496 /nfs/dbraw/zinc/66/74/96/574667496.db2.gz WCJKVBJHMLZAPS-UHFFFAOYSA-N 0 0 318.804 3.350 20 10 DGCDRN CC(C)[C@H]1CCCCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000735328368 574698519 /nfs/dbraw/zinc/69/85/19/574698519.db2.gz QHBSZZYIFSZLTP-QGZVFWFLSA-N 0 0 303.450 3.473 20 10 DGCDRN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)NCc1ccccc1O ZINC000735754724 574714556 /nfs/dbraw/zinc/71/45/56/574714556.db2.gz AFGYNHCHFOLFME-GDBMZVCRSA-N 0 0 320.433 3.033 20 10 DGCDRN CN(C)c1ccc(CNc2ncnc3ccc([N+](=O)[O-])cc32)cc1 ZINC000735918081 574722472 /nfs/dbraw/zinc/72/24/72/574722472.db2.gz HOHVOMLDYJORSN-UHFFFAOYSA-N 0 0 323.356 3.216 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(Cl)cn2)cc1 ZINC000736067128 574730264 /nfs/dbraw/zinc/73/02/64/574730264.db2.gz GUOJYNQRAXHMIE-UHFFFAOYSA-N 0 0 303.793 3.073 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@H+](CCC(=O)[O-])C(C)C)c2c1 ZINC000738079821 574858617 /nfs/dbraw/zinc/85/86/17/574858617.db2.gz TUFZBTNHVSUEAU-UHFFFAOYSA-N 0 0 317.385 3.239 20 10 DGCDRN COC[C@H]1CC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000739867355 574914122 /nfs/dbraw/zinc/91/41/22/574914122.db2.gz BAASFIHCKQEALJ-ZDUSSCGKSA-N 0 0 315.413 3.486 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)N([C@@H](C)C2CC2)C2CC2)cc1 ZINC000739926681 574916022 /nfs/dbraw/zinc/91/60/22/574916022.db2.gz JWTDTNVLDHMLTB-AWEZNQCLSA-N 0 0 316.445 3.311 20 10 DGCDRN O=C([O-])c1ccc2c(c1)C[N@H+](Cc1cc3c(cc1O)CCC3)C2 ZINC000740201903 574928481 /nfs/dbraw/zinc/92/84/81/574928481.db2.gz APPRHOVZFZSDLV-UHFFFAOYSA-N 0 0 309.365 3.095 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1Cc2ccccc21 ZINC000740742505 574941150 /nfs/dbraw/zinc/94/11/50/574941150.db2.gz NSUMMQLRBALSJY-LJQANCHMSA-N 0 0 308.425 3.441 20 10 DGCDRN COc1cc(N(C)Cc2cccc(C)n2)cc(OC)c1OC ZINC000741807125 574972186 /nfs/dbraw/zinc/97/21/86/574972186.db2.gz VAYWCHAPXNXDDS-UHFFFAOYSA-N 0 0 302.374 3.052 20 10 DGCDRN Cc1ccoc1/C=C1\SC(=S)N(c2cccnc2)C1=O ZINC000742346798 574991141 /nfs/dbraw/zinc/99/11/41/574991141.db2.gz PXQIJUDFVREUJH-GHXNOFRVSA-N 0 0 302.380 3.389 20 10 DGCDRN O=C1N[C@H](c2cccc(O)c2O)Nc2c3ccccc3sc21 ZINC000742442728 575000472 /nfs/dbraw/zinc/00/04/72/575000472.db2.gz YNSTYBLVGFZFBW-OAHLLOKOSA-N 0 0 312.350 3.167 20 10 DGCDRN COc1ccc(N2CCN(C(=O)/C=C(\C)C(C)(C)C)CC2)cc1 ZINC000742470137 575001766 /nfs/dbraw/zinc/00/17/66/575001766.db2.gz AALBUIZXMSALNP-CCEZHUSRSA-N 0 0 316.445 3.336 20 10 DGCDRN CCCCO[C@H](C)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000742468901 575001713 /nfs/dbraw/zinc/00/17/13/575001713.db2.gz SFOXVCRTJYRYED-MRXNPFEDSA-N 0 0 318.461 3.498 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(C2CC2)n(C)n1 ZINC000743329951 575043645 /nfs/dbraw/zinc/04/36/45/575043645.db2.gz SSPBKRIJJSHYML-UHFFFAOYSA-N 0 0 313.401 3.056 20 10 DGCDRN O=C(NCCC(F)(F)F)NCc1ccc(N2CCCC2)cc1 ZINC000743552858 575056673 /nfs/dbraw/zinc/05/66/73/575056673.db2.gz TWSKSCYLOVRPSZ-UHFFFAOYSA-N 0 0 315.339 3.038 20 10 DGCDRN CCC(CC)(CNC(=O)NCc1ccc(N(C)C)cc1)SC ZINC000743697274 575061627 /nfs/dbraw/zinc/06/16/27/575061627.db2.gz GHZFYMCETHHGBK-UHFFFAOYSA-N 0 0 323.506 3.474 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@](C)(O)C1CC1 ZINC000743715197 575062125 /nfs/dbraw/zinc/06/21/25/575062125.db2.gz JGTSVQNHSUDZAX-KRWDZBQOSA-N 0 0 318.442 3.046 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2nccc3ccccc32)c1 ZINC000728982169 575199305 /nfs/dbraw/zinc/19/93/05/575199305.db2.gz JGZADIDYEAOCFS-GFCCVEGCSA-N 0 0 322.364 3.440 20 10 DGCDRN CCCCS[C@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000729277628 575231699 /nfs/dbraw/zinc/23/16/99/575231699.db2.gz FTQUKJLYDYTAIO-VXGBXAGGSA-N 0 0 311.447 3.500 20 10 DGCDRN CC(C)C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000744451758 575344279 /nfs/dbraw/zinc/34/42/79/575344279.db2.gz VTPYGEGZYOPXNQ-INIZCTEOSA-N 0 0 303.450 3.330 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)NC[C@@H]1CC=CCC1 ZINC000745780287 575417220 /nfs/dbraw/zinc/41/72/20/575417220.db2.gz GYZJFOKJGXVLKN-CQSZACIVSA-N 0 0 314.429 3.427 20 10 DGCDRN CC[C@@H]1C[C@@H](C)CN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000745788824 575417786 /nfs/dbraw/zinc/41/77/86/575417786.db2.gz ROYLHFLTOCMWDD-RHSMWYFYSA-N 0 0 315.461 3.399 20 10 DGCDRN COc1cccc(CNC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1O ZINC000745876736 575420947 /nfs/dbraw/zinc/42/09/47/575420947.db2.gz UTHIGBHMDPPZMI-GZBFAFLISA-N 0 0 318.417 3.169 20 10 DGCDRN CC[C@@H]1CCCCN1C(=O)CN(CC)c1ccc(OC)cc1 ZINC000746109251 575433235 /nfs/dbraw/zinc/43/32/35/575433235.db2.gz NHVIVWIPQLTZDD-OAHLLOKOSA-N 0 0 304.434 3.313 20 10 DGCDRN CCN(C[C@@H](O)COc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000746108752 575433253 /nfs/dbraw/zinc/43/32/53/575433253.db2.gz ANQRWTILXYILTG-MRXNPFEDSA-N 0 0 319.376 3.101 20 10 DGCDRN CCCCn1ncc(NC(=O)NCc2ccccc2O)c1C ZINC000746141790 575435560 /nfs/dbraw/zinc/43/55/60/575435560.db2.gz KCIUEMXTKWCLPE-UHFFFAOYSA-N 0 0 302.378 3.019 20 10 DGCDRN COc1ccc(N(CC(=O)N2CCCCC2)CC(C)C)cc1 ZINC000746171062 575437801 /nfs/dbraw/zinc/43/78/01/575437801.db2.gz NHYXJAPIXPJXBC-UHFFFAOYSA-N 0 0 304.434 3.170 20 10 DGCDRN CN1CCCc2cc(CNC(=O)C3C(C)(C)C3(C)C)ccc21 ZINC000746181888 575438736 /nfs/dbraw/zinc/43/87/36/575438736.db2.gz IWAOOIWSTRGQEJ-UHFFFAOYSA-N 0 0 300.446 3.367 20 10 DGCDRN Cc1ccc(CCC(=O)NCc2ccc(N(C)C)cc2C)o1 ZINC000746526563 575457992 /nfs/dbraw/zinc/45/79/92/575457992.db2.gz JGNQBGQRNVMQRF-UHFFFAOYSA-N 0 0 300.402 3.211 20 10 DGCDRN CN(C)c1ccc(CNC(=O)/C=C\c2cccc(F)c2)cc1F ZINC000746798326 575475379 /nfs/dbraw/zinc/47/53/79/575475379.db2.gz UKRKXOMLODZIPS-CLFYSBASSA-N 0 0 316.351 3.360 20 10 DGCDRN CN1CCCc2cc(CNC(=O)/C=C\c3cccs3)ccc21 ZINC000746811849 575476075 /nfs/dbraw/zinc/47/60/75/575476075.db2.gz MQVVEORGEYMSCO-CLFYSBASSA-N 0 0 312.438 3.460 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)C3=C(C)CCC3)CC2)cc1 ZINC000746839041 575478415 /nfs/dbraw/zinc/47/84/15/575478415.db2.gz GDBXHSOAFIURCX-UHFFFAOYSA-N 0 0 314.429 3.281 20 10 DGCDRN CCN1C(=O)/C(=C/c2cnn(-c3ccccc3)c2)SC1=S ZINC000746999472 575488911 /nfs/dbraw/zinc/48/89/11/575488911.db2.gz MEENHJVAEMSFKM-JYRVWZFOSA-N 0 0 315.423 3.093 20 10 DGCDRN Cc1ncoc1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000747367899 575514478 /nfs/dbraw/zinc/51/44/78/575514478.db2.gz VBYODIGYNYDOLC-UHFFFAOYSA-N 0 0 301.390 3.100 20 10 DGCDRN CCN(CCNC(=O)OC(C)(C)C)c1ccc(OC)c(OC)c1 ZINC000747682229 575532668 /nfs/dbraw/zinc/53/26/68/575532668.db2.gz WACHPDQOMHWQAN-UHFFFAOYSA-N 0 0 324.421 3.055 20 10 DGCDRN Cc1ccc2c(c1)N(C(=O)/C=C\c1cncc(F)c1)C[C@@H](C)O2 ZINC000747896794 575549917 /nfs/dbraw/zinc/54/99/17/575549917.db2.gz XUELAJUPZIJLQM-RYWCDNDXSA-N 0 0 312.344 3.356 20 10 DGCDRN COc1cccc(CNC(=S)Nc2ccc(Cl)cc2)n1 ZINC000748044860 575558233 /nfs/dbraw/zinc/55/82/33/575558233.db2.gz MTUGIPMZQRWADK-UHFFFAOYSA-N 0 0 307.806 3.230 20 10 DGCDRN C[C@H](Cc1ccncc1)[NH2+]Cc1cccc(Br)c1[O-] ZINC000749294193 575643500 /nfs/dbraw/zinc/64/35/00/575643500.db2.gz FZSPKWPLZSJWNK-LLVKDONJSA-N 0 0 321.218 3.271 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCc3ccc(F)cc3C2)c1O ZINC000749452044 575657147 /nfs/dbraw/zinc/65/71/47/575657147.db2.gz WGNHJLNIESGKMT-UHFFFAOYSA-N 0 0 317.335 3.431 20 10 DGCDRN c1c(COc2ccc(N3CCCC3)cc2)nnn1-c1ccccc1 ZINC000749795894 575678876 /nfs/dbraw/zinc/67/88/76/575678876.db2.gz LMSAIFKXYHDYAN-UHFFFAOYSA-N 0 0 320.396 3.447 20 10 DGCDRN Cn1cc(/C=C/C(=O)N2CCc3cc(C(C)(C)C)ccc32)cn1 ZINC000749805658 575679946 /nfs/dbraw/zinc/67/99/46/575679946.db2.gz VEBNXANQHSAMCT-VMPITWQZSA-N 0 0 309.413 3.320 20 10 DGCDRN Cc1cc(C)c2c(N)c(C(=O)OCc3cscn3)sc2n1 ZINC000749821826 575680967 /nfs/dbraw/zinc/68/09/67/575680967.db2.gz PZNMFIWEUVZUKD-UHFFFAOYSA-N 0 0 319.411 3.309 20 10 DGCDRN CCOc1ccc(N(CC)Cc2nnc(C)n2C2CC2)cc1 ZINC000749906832 575686912 /nfs/dbraw/zinc/68/69/12/575686912.db2.gz MJPGAPNIJBYFRY-UHFFFAOYSA-N 0 0 300.406 3.347 20 10 DGCDRN Cc1cccnc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000749930400 575689323 /nfs/dbraw/zinc/68/93/23/575689323.db2.gz KINCGWJKFFVLHA-UHFFFAOYSA-N 0 0 309.413 3.310 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN(C)c2c(C)noc2C)c1O ZINC000750057441 575700664 /nfs/dbraw/zinc/70/06/64/575700664.db2.gz MZODQETUKOZZEH-UHFFFAOYSA-N 0 0 308.765 3.489 20 10 DGCDRN CCC[C@H](O)CC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000750317375 575718219 /nfs/dbraw/zinc/71/82/19/575718219.db2.gz WZAKXJDDRGFKEX-SFHVURJKSA-N 0 0 318.461 3.090 20 10 DGCDRN Cc1ccc(C(=O)OCc2nc3ccccc3nc2C)c(O)c1O ZINC000750619543 575742737 /nfs/dbraw/zinc/74/27/37/575742737.db2.gz QSIFGKPFCGWZDK-UHFFFAOYSA-N 0 0 324.336 3.015 20 10 DGCDRN O=C(CCn1cccc1)N(Cc1ccco1)Cc1ccccc1O ZINC000751066214 575770128 /nfs/dbraw/zinc/77/01/28/575770128.db2.gz DRBSEMVGOZWREF-UHFFFAOYSA-N 0 0 324.380 3.406 20 10 DGCDRN O=C(/C=C\C1CC1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000751302180 575779393 /nfs/dbraw/zinc/77/93/93/575779393.db2.gz KOVLEOVMEVDVBH-KTKRTIGZSA-N 0 0 304.353 3.301 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)[C@@H]1CCCS1 ZINC000751301762 575779465 /nfs/dbraw/zinc/77/94/65/575779465.db2.gz GZKDDABSRSQBTE-ZDUSSCGKSA-N 0 0 324.409 3.230 20 10 DGCDRN CCCCCc1nnc(NC(=O)c2ccc(C)c(O)c2O)s1 ZINC000751532419 575789132 /nfs/dbraw/zinc/78/91/32/575789132.db2.gz AZUIFZVKXFLZMF-UHFFFAOYSA-N 0 0 321.402 3.243 20 10 DGCDRN Cc1ccc(C(=O)Nc2cc(C3CCCC3)[nH]n2)c(O)c1O ZINC000751537775 575789927 /nfs/dbraw/zinc/78/99/27/575789927.db2.gz ILLXQYPKMBZSNU-UHFFFAOYSA-N 0 0 301.346 3.039 20 10 DGCDRN CCOc1ccc(N(C)Cc2ccccc2CC(=O)OC)cc1 ZINC000751992094 575816922 /nfs/dbraw/zinc/81/69/22/575816922.db2.gz HQHGTKKKKOOYLC-UHFFFAOYSA-N 0 0 313.397 3.437 20 10 DGCDRN COc1ccc(N(C)CCOc2cccc(F)c2)c(OC)c1 ZINC000752116252 575823586 /nfs/dbraw/zinc/82/35/86/575823586.db2.gz WPBDUSOOYUQNCZ-UHFFFAOYSA-N 0 0 305.349 3.358 20 10 DGCDRN CCC1(CNC(=O)NCc2ccc(N(C)C)c(F)c2)CCC1 ZINC000752395608 575835288 /nfs/dbraw/zinc/83/52/88/575835288.db2.gz IFKUPHADLICRIW-UHFFFAOYSA-N 0 0 307.413 3.271 20 10 DGCDRN CCN(Cc1ccccn1)Cc1cc(F)cc(C(C)=O)c1O ZINC000126642589 575895086 /nfs/dbraw/zinc/89/50/86/575895086.db2.gz ZMVLDWABMOWRNJ-UHFFFAOYSA-N 0 0 302.349 3.151 20 10 DGCDRN COc1ccc(N(CCCN2CCCC2=O)C(C)C)cc1F ZINC000725816066 575919590 /nfs/dbraw/zinc/91/95/90/575919590.db2.gz GLPZWDSGFNOCDM-UHFFFAOYSA-N 0 0 308.397 3.062 20 10 DGCDRN C[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])Cn1cccn1 ZINC000725847435 575929277 /nfs/dbraw/zinc/92/92/77/575929277.db2.gz LRISZCLXVYBOSO-JTQLQIEISA-N 0 0 314.216 3.321 20 10 DGCDRN O=C(NCc1ccccc1O)NCc1c(F)cccc1Cl ZINC000726249211 576014460 /nfs/dbraw/zinc/01/44/60/576014460.db2.gz FZHOVJJMZWWNKR-UHFFFAOYSA-N 0 0 308.740 3.184 20 10 DGCDRN O=C(NCc1cc(-c2ccccc2)on1)NCc1ccccc1O ZINC000726852351 576045627 /nfs/dbraw/zinc/04/56/27/576045627.db2.gz NBQDYYCRXMJBNZ-UHFFFAOYSA-N 0 0 323.352 3.047 20 10 DGCDRN CN(C)c1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1F ZINC000727658248 576137553 /nfs/dbraw/zinc/13/75/53/576137553.db2.gz DQWKIJRMEULQJS-PTNGSMBKSA-N 0 0 310.328 3.236 20 10 DGCDRN CC(C)[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000852649824 620637738 /nfs/dbraw/zinc/63/77/38/620637738.db2.gz UOVUMHPPIINUOL-INIZCTEOSA-N 0 0 307.413 3.126 20 10 DGCDRN O=C(NCCCc1ccco1)NCc1cc(Cl)ccc1O ZINC000852682376 620640590 /nfs/dbraw/zinc/64/05/90/620640590.db2.gz YVARUGSCWUVXEI-UHFFFAOYSA-N 0 0 308.765 3.071 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Nc1nc2c(s1)CCC2 ZINC000916671007 620642045 /nfs/dbraw/zinc/64/20/45/620642045.db2.gz ATBSIZVHUSKXAW-UHFFFAOYSA-N 0 0 303.387 3.001 20 10 DGCDRN CCC1CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000917091125 620656277 /nfs/dbraw/zinc/65/62/77/620656277.db2.gz KJJUNJSUCWZWHO-FNORWQNLSA-N 0 0 318.373 3.407 20 10 DGCDRN CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])CC(F)(F)F ZINC000853095882 620668626 /nfs/dbraw/zinc/66/86/26/620668626.db2.gz CTNPYPRXUTXJQJ-UHFFFAOYSA-N 0 0 306.284 3.369 20 10 DGCDRN CCN(CC)c1ccc(CNc2cc[nH]c(=O)c2[N+](=O)[O-])cc1 ZINC000853192260 620676658 /nfs/dbraw/zinc/67/66/58/620676658.db2.gz GHIZNNHGXFNTCP-UHFFFAOYSA-N 0 0 316.361 3.154 20 10 DGCDRN Cc1cc(C(=O)O[C@H](C)c2nc[nH]n2)c(C)n1-c1ccccc1C ZINC000853222846 620679290 /nfs/dbraw/zinc/67/92/90/620679290.db2.gz RNTCLVKGQKCNDX-CQSZACIVSA-N 0 0 324.384 3.439 20 10 DGCDRN CCc1nc([C@H](C)NC(=O)NCc2c(O)cccc2F)cs1 ZINC000918004214 620692520 /nfs/dbraw/zinc/69/25/20/620692520.db2.gz POFPXQNISYYWBC-VIFPVBQESA-N 0 0 323.393 3.111 20 10 DGCDRN Cc1cc(N[C@@H](C)Cc2ccc(O)c(O)c2)c([N+](=O)[O-])s1 ZINC000853473029 620698615 /nfs/dbraw/zinc/69/86/15/620698615.db2.gz JRSBVSJGWMSTGC-QMMMGPOBSA-N 0 0 308.359 3.419 20 10 DGCDRN Clc1cnc2[nH]c(-c3ccc(N4CCOCC4)cc3)nc2c1 ZINC000154696670 620704953 /nfs/dbraw/zinc/70/49/53/620704953.db2.gz IAXMDHGLCQLKHG-UHFFFAOYSA-N 0 0 314.776 3.115 20 10 DGCDRN Oc1cc2c(cc1CN1CC[C@H]1c1ccc(F)cc1)OCO2 ZINC000853544559 620709188 /nfs/dbraw/zinc/70/91/88/620709188.db2.gz WBYBYOORXYWWGY-AWEZNQCLSA-N 0 0 301.317 3.207 20 10 DGCDRN C[C@@H]1[C@H](C(F)(F)F)OCCN1Cc1cc2c(cc1O)CCC2 ZINC000853572319 620710820 /nfs/dbraw/zinc/71/08/20/620710820.db2.gz OXLKDCKFUUYCLT-MEBBXXQBSA-N 0 0 315.335 3.033 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCS[C@@H](C)C1 ZINC000919080729 620735739 /nfs/dbraw/zinc/73/57/39/620735739.db2.gz FVPJLMBFADMULF-ZFWWWQNUSA-N 0 0 321.490 3.144 20 10 DGCDRN C[C@@H](NS(=O)(=O)CCC(C)(C)C1CC1)c1ccccc1O ZINC000919120056 620736667 /nfs/dbraw/zinc/73/66/67/620736667.db2.gz VCBUKKTUMNFYFD-GFCCVEGCSA-N 0 0 311.447 3.199 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCCS1 ZINC000126851353 617610244 /nfs/dbraw/zinc/61/02/44/617610244.db2.gz KZHYMBZDFQPGDY-INIZCTEOSA-N 0 0 321.490 3.180 20 10 DGCDRN C[C@H](NCc1cnn(C)n1)c1ccc(N2CCCCCC2)cc1 ZINC000806168308 617648784 /nfs/dbraw/zinc/64/87/84/617648784.db2.gz IIWLGIPIICMKRK-HNNXBMFYSA-N 0 0 313.449 3.046 20 10 DGCDRN COc1ccc(CNc2ccc([N+](=O)[O-])c(C(C)=O)c2)c(O)c1 ZINC000804681630 617649645 /nfs/dbraw/zinc/64/96/45/617649645.db2.gz APFVDAIOHPUYDG-UHFFFAOYSA-N 0 0 316.313 3.124 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)C1(C(F)F)CCCC1 ZINC000890759306 617656316 /nfs/dbraw/zinc/65/63/16/617656316.db2.gz JLQDNCWZVIULDG-UHFFFAOYSA-N 0 0 303.736 3.487 20 10 DGCDRN CC1CCC(OCC(=O)NCc2cccc(Cl)c2O)CC1 ZINC000890759707 617656418 /nfs/dbraw/zinc/65/64/18/617656418.db2.gz PDIKAMCRFOMMQT-UHFFFAOYSA-N 0 0 311.809 3.257 20 10 DGCDRN CC[C@@H](C)n1nc(C(=O)NCc2cccc(Cl)c2O)cc1C ZINC000890759947 617656984 /nfs/dbraw/zinc/65/69/84/617656984.db2.gz WXFWJYSIJNWFPR-SNVBAGLBSA-N 0 0 321.808 3.452 20 10 DGCDRN COC1CCC(CC(=O)NCc2cccc(Cl)c2O)CC1 ZINC000890760332 617656988 /nfs/dbraw/zinc/65/69/88/617656988.db2.gz ORZVHZGQCFYONF-UHFFFAOYSA-N 0 0 311.809 3.257 20 10 DGCDRN O=C(CCCC1CCOCC1)NCc1cccc(Cl)c1O ZINC000890759941 617657120 /nfs/dbraw/zinc/65/71/20/617657120.db2.gz WRWKMLTYGJHWDU-UHFFFAOYSA-N 0 0 311.809 3.259 20 10 DGCDRN CCCc1cc(C(=O)NCc2cccc(Cl)c2O)cc(=O)[nH]1 ZINC000890762425 617657746 /nfs/dbraw/zinc/65/77/46/617657746.db2.gz CCGDSQPWNYWZQF-UHFFFAOYSA-N 0 0 320.776 3.029 20 10 DGCDRN O=C(C[C@@H]1CC[C@@H](C2CC2)O1)NCc1cccc(Cl)c1O ZINC000890762981 617658409 /nfs/dbraw/zinc/65/84/09/617658409.db2.gz LVTCMWNXMAIDEQ-JSGCOSHPSA-N 0 0 309.793 3.010 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)C1([C@H]2CCCCO2)CCC1 ZINC000890762585 617658547 /nfs/dbraw/zinc/65/85/47/617658547.db2.gz GRNNWBFVOJPXPQ-CQSZACIVSA-N 0 0 323.820 3.401 20 10 DGCDRN C[C@H]1CC[C@@H](C(=O)NCc2cc(Br)ccc2O)C1 ZINC000804738330 617662607 /nfs/dbraw/zinc/66/26/07/617662607.db2.gz MCWVHKQOTUQCEX-VHSXEESVSA-N 0 0 312.207 3.207 20 10 DGCDRN CO[C@H](C)CN(C)C(=O)c1sccc1-n1c(C)ccc1C ZINC000804841115 617699137 /nfs/dbraw/zinc/69/91/37/617699137.db2.gz VIKRCBUXCZDGIR-CYBMUJFWSA-N 0 0 306.431 3.263 20 10 DGCDRN CO[C@@H](C)CN(C)C(=O)c1sccc1-n1c(C)ccc1C ZINC000804841116 617699188 /nfs/dbraw/zinc/69/91/88/617699188.db2.gz VIKRCBUXCZDGIR-ZDUSSCGKSA-N 0 0 306.431 3.263 20 10 DGCDRN CC(C)[C@H](NC(=O)NCCCSc1nccs1)C1CC1 ZINC000853857585 620746214 /nfs/dbraw/zinc/74/62/14/620746214.db2.gz GQVHNHIUHZAFRX-LBPRGKRZSA-N 0 0 313.492 3.359 20 10 DGCDRN CC[C@H](C)N(CC)C(=O)NCCCSc1nccs1 ZINC000853855839 620746248 /nfs/dbraw/zinc/74/62/48/620746248.db2.gz HXDHYZHVWJYMRN-NSHDSACASA-N 0 0 301.481 3.455 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NC2CCC=CCC2)cc1 ZINC000891288721 617766540 /nfs/dbraw/zinc/76/65/40/617766540.db2.gz JWQDVROSPKAWMV-UHFFFAOYSA-N 0 0 301.434 3.393 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@]23C[C@@H]2CCCC3)c1 ZINC000924360032 617809048 /nfs/dbraw/zinc/80/90/48/617809048.db2.gz ZPGPTJHEQTYMAV-ZJNRKIDTSA-N 0 0 318.417 3.341 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@]23C[C@H]2CCCC3)c1 ZINC000924360029 617809445 /nfs/dbraw/zinc/80/94/45/617809445.db2.gz ZPGPTJHEQTYMAV-JCGVRSQUSA-N 0 0 318.417 3.341 20 10 DGCDRN CCCc1cc(Sc2ncc(Cl)s2)n2ncnc2n1 ZINC000853964193 620757856 /nfs/dbraw/zinc/75/78/56/620757856.db2.gz IESYPVOZFNONIY-UHFFFAOYSA-N 0 0 311.823 3.338 20 10 DGCDRN COc1ccc(CN(CC(C)C)CC(F)(F)F)c(O)c1OC ZINC000891717315 617878622 /nfs/dbraw/zinc/87/86/22/617878622.db2.gz DBISXERRBOICLU-UHFFFAOYSA-N 0 0 321.339 3.430 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CCC[C@@H](C3CCC3)CC2)cc1 ZINC000892038694 617949750 /nfs/dbraw/zinc/94/97/50/617949750.db2.gz HRXATTIKFBNZAH-QGZVFWFLSA-N 0 0 315.461 3.423 20 10 DGCDRN CC(C)(/C=C/Cl)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000919918364 620771628 /nfs/dbraw/zinc/77/16/28/620771628.db2.gz MDBDLNMUOWQZIN-MDZDMXLPSA-N 0 0 319.836 3.393 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](C)C1CC1 ZINC000920054704 620780684 /nfs/dbraw/zinc/78/06/84/620780684.db2.gz UHJCUKYBBXWBAE-CQSZACIVSA-N 0 0 303.450 3.330 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ncoc2-c2ccccc2)cc1 ZINC000112001849 620784311 /nfs/dbraw/zinc/78/43/11/620784311.db2.gz WLKQXDIRVZCJSV-UHFFFAOYSA-N 0 0 321.380 3.338 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000854227203 620786542 /nfs/dbraw/zinc/78/65/42/620786542.db2.gz UIGSXWLWWPLQDF-HWPZZCPQSA-N 0 0 313.357 3.221 20 10 DGCDRN Cc1cc(C(=O)OCCn2cccn2)c(C)n1-c1ccccc1C ZINC000920263997 620794177 /nfs/dbraw/zinc/79/41/77/620794177.db2.gz XTFJFWYUTPOWAP-UHFFFAOYSA-N 0 0 323.396 3.456 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)Cc2ccccc2)c1 ZINC000112115272 620791606 /nfs/dbraw/zinc/79/16/06/620791606.db2.gz VQOPVUWWIQNAGJ-KBPBESRZSA-N 0 0 313.397 3.457 20 10 DGCDRN CCC/C(C)=C\C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000920222810 620791696 /nfs/dbraw/zinc/79/16/96/620791696.db2.gz ZFWRXHPQDIQNIX-NXVVXOECSA-N 0 0 316.445 3.480 20 10 DGCDRN CCC(C)(CC)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854298699 620792397 /nfs/dbraw/zinc/79/23/97/620792397.db2.gz ABKMEZHTJFUNLQ-AWEZNQCLSA-N 0 0 319.449 3.152 20 10 DGCDRN COc1cc(C)cc(CN[C@H]2COc3cc(F)cc(F)c32)c1O ZINC000894448955 618336668 /nfs/dbraw/zinc/33/66/68/618336668.db2.gz NQITWVQMXMEGFN-ZDUSSCGKSA-N 0 0 321.323 3.211 20 10 DGCDRN COc1ccc(CNc2ccnn2[C@H](C)C2CC2)c(O)c1OC ZINC000892872731 618336838 /nfs/dbraw/zinc/33/68/38/618336838.db2.gz GDDAHETVZPNEQI-LLVKDONJSA-N 0 0 317.389 3.189 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)NC[C@@H]1CCC(F)(F)C1 ZINC000894561564 618383777 /nfs/dbraw/zinc/38/37/77/618383777.db2.gz PBYJBPOLKQPMAC-SECBINFHSA-N 0 0 318.751 3.280 20 10 DGCDRN COc1cc(C)cc(CN2CCCN2C(=O)OC(C)(C)C)c1O ZINC000894687718 618422748 /nfs/dbraw/zinc/42/27/48/618422748.db2.gz SFUMRUHYEONNSO-UHFFFAOYSA-N 0 0 322.405 3.067 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000893135626 618440346 /nfs/dbraw/zinc/44/03/46/618440346.db2.gz OGOPOAXLHZMZFK-KBAYOESNSA-N 0 0 311.429 3.051 20 10 DGCDRN C[C@@H]1CC=CC[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000893134169 618441270 /nfs/dbraw/zinc/44/12/70/618441270.db2.gz FIARCKRKMVEMCU-CRAIPNDOSA-N 0 0 311.429 3.217 20 10 DGCDRN CC[C@@H](CO)[N@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000894871449 618484513 /nfs/dbraw/zinc/48/45/13/618484513.db2.gz UVTCVSUEOBLGAI-JTQLQIEISA-N 0 0 322.630 3.011 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1nccn1C1CC1 ZINC000894939158 618501932 /nfs/dbraw/zinc/50/19/32/618501932.db2.gz IOILDXZZMWAAMG-OAHLLOKOSA-N 0 0 312.461 3.313 20 10 DGCDRN CC[C@H]([NH2+][C@@H](CCO)COC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775510297 618502024 /nfs/dbraw/zinc/50/20/24/618502024.db2.gz ZWPJNKAMTVIWJL-CABZTGNLSA-N 0 0 322.232 3.137 20 10 DGCDRN CO[C@H](C)[C@@H](C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000854529052 620814124 /nfs/dbraw/zinc/81/41/24/620814124.db2.gz YPNHYFKOGMTDBD-GDBMZVCRSA-N 0 0 314.429 3.176 20 10 DGCDRN c1ccc(-c2noc(CNCc3ccc4c(c3)CCCO4)n2)cc1 ZINC000893621020 618618498 /nfs/dbraw/zinc/61/84/98/618618498.db2.gz IIXWXMWRBOQCET-UHFFFAOYSA-N 0 0 321.380 3.351 20 10 DGCDRN CSCC(C)(C)NC(=O)NCCCSc1nccs1 ZINC000893643816 618628331 /nfs/dbraw/zinc/62/83/31/618628331.db2.gz BPEHLPYCTJMGQH-UHFFFAOYSA-N 0 0 319.521 3.066 20 10 DGCDRN O=C(NCCCSc1nccs1)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000893646231 618629669 /nfs/dbraw/zinc/62/96/69/618629669.db2.gz QVHAVGQFJNLZAB-GRYCIOLGSA-N 0 0 311.476 3.113 20 10 DGCDRN CC(C)(C[NH2+]Cc1cc(Cl)c(F)cc1[O-])OCC1CC1 ZINC000840960932 618639080 /nfs/dbraw/zinc/63/90/80/618639080.db2.gz YDANCCKLKPIWAR-UHFFFAOYSA-N 0 0 301.789 3.480 20 10 DGCDRN CO[C@](C)([C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000840961020 618639260 /nfs/dbraw/zinc/63/92/60/618639260.db2.gz PKBJIANFXWJULI-BJOHPYRUSA-N 0 0 301.789 3.478 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@H+](CCCO)Cc1ccccc1 ZINC000894003254 618692996 /nfs/dbraw/zinc/69/29/96/618692996.db2.gz ICNNUDNAGQVDEA-UHFFFAOYSA-N 0 0 307.340 3.055 20 10 DGCDRN C[C@@H](O)CC[N@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000894033268 618695695 /nfs/dbraw/zinc/69/56/95/618695695.db2.gz FNFAXPLJQFYJKD-MRVPVSSYSA-N 0 0 322.630 3.011 20 10 DGCDRN COc1ccc(CNc2ccc(Cl)nc2C)c(O)c1OC ZINC000894119724 618714602 /nfs/dbraw/zinc/71/46/02/618714602.db2.gz YIGPSSLCTKSCES-UHFFFAOYSA-N 0 0 308.765 3.378 20 10 DGCDRN CCn1ncc(NCc2ccc(Br)cc2O)c1C ZINC000877834427 618729260 /nfs/dbraw/zinc/72/92/60/618729260.db2.gz RWQAQWYULMMQHC-UHFFFAOYSA-N 0 0 310.195 3.292 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc(-n3cccc3)cc2)cc1 ZINC000015832805 618738649 /nfs/dbraw/zinc/73/86/49/618738649.db2.gz UTDZQONHIQPINC-UHFFFAOYSA-N 0 0 319.408 3.473 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H](C)c1cncs1)c1ccc(N(C)C)cc1 ZINC000894288055 618752902 /nfs/dbraw/zinc/75/29/02/618752902.db2.gz ZSABCRASTBQRSV-NEPJUHHUSA-N 0 0 318.446 3.331 20 10 DGCDRN COc1cccc(C[N@@H+]2CCC[C@]2(C)C(=O)OC(C)(C)C)c1O ZINC000895408503 618780190 /nfs/dbraw/zinc/78/01/90/618780190.db2.gz CXKJCZQYQUUGAZ-GOSISDBHSA-N 0 0 321.417 3.097 20 10 DGCDRN CCCCO[C@@H]1C[C@H](NC(=O)Nc2ccc(N)cc2)C1(C)C ZINC000841299530 618790663 /nfs/dbraw/zinc/79/06/63/618790663.db2.gz IJDUNLVHJGDMMC-LSDHHAIUSA-N 0 0 305.422 3.374 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)C[C@@H]2CCC3(CCC3)O2)cc1 ZINC000895484917 618792123 /nfs/dbraw/zinc/79/21/23/618792123.db2.gz CUBAKIZZXIXYQK-KRWDZBQOSA-N 0 0 316.445 3.203 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH+]1CC(CC2CCOCC2)C1 ZINC000895615938 618807292 /nfs/dbraw/zinc/80/72/92/618807292.db2.gz RKKZSMSWQFDMPW-UHFFFAOYSA-N 0 0 313.800 3.433 20 10 DGCDRN Cc1cccc(CNc2cccc([C@]3(C)COC(=O)N3)c2)c1O ZINC000895639540 618811345 /nfs/dbraw/zinc/81/13/45/618811345.db2.gz LFTJBQSWKXAQKW-SFHVURJKSA-N 0 0 312.369 3.268 20 10 DGCDRN CN=[S@](C)(=O)c1cccc(NCc2ccc(C)cc2O)c1 ZINC000895731145 618824448 /nfs/dbraw/zinc/82/44/48/618824448.db2.gz FDWNONIIGPRDQO-OAQYLSRUSA-N 0 0 304.415 3.399 20 10 DGCDRN Cc1cccc(O)c1C[NH2+]CC[C@H]1CCC2(CCOCC2)CO1 ZINC000895799060 618833250 /nfs/dbraw/zinc/83/32/50/618833250.db2.gz GRGYTRGZVNUBRR-MRXNPFEDSA-N 0 0 319.445 3.156 20 10 DGCDRN CC1(C)[C@H](CNC(=O)NCc2cccc(Cl)c2O)C1(F)F ZINC000895839344 618837152 /nfs/dbraw/zinc/83/71/52/618837152.db2.gz NWJXXPNHXKSRFZ-JTQLQIEISA-N 0 0 318.751 3.136 20 10 DGCDRN CCOC(=O)[C@](C)(NCc1cccc(C)c1O)c1ccccc1 ZINC000895895165 618845691 /nfs/dbraw/zinc/84/56/91/618845691.db2.gz UZCNAFQNAAUREW-LJQANCHMSA-N 0 0 313.397 3.269 20 10 DGCDRN COc1ccc(C[NH2+]Cc2cscc2Cl)c(O)c1OC ZINC000896039264 618866610 /nfs/dbraw/zinc/86/66/10/618866610.db2.gz DNRXMKJLLSBVSY-UHFFFAOYSA-N 0 0 313.806 3.414 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cncc(F)c1Cl ZINC000896400956 618908373 /nfs/dbraw/zinc/90/83/73/618908373.db2.gz QLAGTNIVVDRDSF-UHFFFAOYSA-N 0 0 321.783 3.179 20 10 DGCDRN CSCCCCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896452746 618913004 /nfs/dbraw/zinc/91/30/04/618913004.db2.gz OTIVZVIQENSVLC-UHFFFAOYSA-N 0 0 311.428 3.186 20 10 DGCDRN Cc1cc(O)c(C[N@H+]2CCC[C@@H](c3ccn(C)n3)C2)c(Cl)c1 ZINC000896490919 618918199 /nfs/dbraw/zinc/91/81/99/618918199.db2.gz XQRUVJDVCBDYIM-CYBMUJFWSA-N 0 0 319.836 3.467 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H](c1ncccn1)C1CC1 ZINC000896600399 618933109 /nfs/dbraw/zinc/93/31/09/618933109.db2.gz WZROJKUFRPXFFO-AWEZNQCLSA-N 0 0 307.756 3.216 20 10 DGCDRN C[C@H]([NH2+]Cc1c([O-])cccc1F)[C@@H]1COc2ccccc2C1 ZINC000896642926 618938075 /nfs/dbraw/zinc/93/80/75/618938075.db2.gz SJRRAFITFAELRT-JSGCOSHPSA-N 0 0 301.361 3.261 20 10 DGCDRN Oc1cccc(F)c1CNCc1csc(C(F)(F)F)n1 ZINC000896641711 618940320 /nfs/dbraw/zinc/94/03/20/618940320.db2.gz VHBYMWUZQQUDAT-UHFFFAOYSA-N 0 0 306.284 3.296 20 10 DGCDRN O=C(NCCCC(F)(F)F)c1cc2cc(O)c(O)cc2s1 ZINC000896764237 618955101 /nfs/dbraw/zinc/95/51/01/618955101.db2.gz GLOLGFFDYFRISS-UHFFFAOYSA-N 0 0 319.304 3.385 20 10 DGCDRN O=C(N[C@@H]1CCC(F)(F)C1)c1cc2cc(O)c(O)cc2s1 ZINC000897006949 619000062 /nfs/dbraw/zinc/00/00/62/619000062.db2.gz IQLPTNOJBQOSTI-MRVPVSSYSA-N 0 0 313.325 3.230 20 10 DGCDRN CSC[C@@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897049865 619008866 /nfs/dbraw/zinc/00/88/66/619008866.db2.gz QUASGHLFBYTTCO-JTQLQIEISA-N 0 0 323.439 3.280 20 10 DGCDRN CC1(NC(=S)NCc2ccc(N3CCCC3)cc2)CCC1 ZINC000840713281 619020741 /nfs/dbraw/zinc/02/07/41/619020741.db2.gz LYJJPPVWBBPEQL-UHFFFAOYSA-N 0 0 303.475 3.194 20 10 DGCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H](C2CC2)C1 ZINC000897266619 619039061 /nfs/dbraw/zinc/03/90/61/619039061.db2.gz NNTFUPMWAYMQPA-JTQLQIEISA-N 0 0 303.383 3.185 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C)C(F)F)cc1 ZINC000881283074 625312473 /nfs/dbraw/zinc/31/24/73/625312473.db2.gz WGPMHSUVEXWLAB-LBPRGKRZSA-N 0 0 313.392 3.328 20 10 DGCDRN Cc1nn(C(C)(C)C)c(C)c1C(=O)NCc1c(O)cccc1F ZINC000928712800 619060589 /nfs/dbraw/zinc/06/05/89/619060589.db2.gz ZGEMXWQFEULYAP-UHFFFAOYSA-N 0 0 319.380 3.030 20 10 DGCDRN CCn1cnc2c1CCN(C/C=C/c1ccc(N(C)C)cc1)C2 ZINC000897333649 619061729 /nfs/dbraw/zinc/06/17/29/619061729.db2.gz IZDSMERUIWEAQZ-AATRIKPKSA-N 0 0 310.445 3.041 20 10 DGCDRN CN(CC(=O)OC(C)(C)C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000152138150 619065516 /nfs/dbraw/zinc/06/55/16/619065516.db2.gz MGUAXDIMGKCXSY-UHFFFAOYSA-N 0 0 323.433 3.169 20 10 DGCDRN O=C(NCC[C@@H]1CCCCO1)c1cc2cc(O)c(O)cc2s1 ZINC000897350082 619069547 /nfs/dbraw/zinc/06/95/47/619069547.db2.gz ZMLFNSPKLSWXMX-NSHDSACASA-N 0 0 321.398 3.002 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CC1(C2(O)CCC2)CC1 ZINC000897530997 619150186 /nfs/dbraw/zinc/15/01/86/619150186.db2.gz UVFXSRDEADYNLH-UHFFFAOYSA-N 0 0 316.228 3.484 20 10 DGCDRN CCNC(=O)C1(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CCC1 ZINC000841754095 619156025 /nfs/dbraw/zinc/15/60/25/619156025.db2.gz YUYQXZZYSRLEEP-NSHDSACASA-N 0 0 310.825 3.003 20 10 DGCDRN COC(=O)c1coc([C@H](C)Sc2ncc(Cl)s2)n1 ZINC000865372287 619157991 /nfs/dbraw/zinc/15/79/91/619157991.db2.gz OQPQLTXLFBBFJI-YFKPBYRVSA-N 0 0 304.780 3.424 20 10 DGCDRN Cc1cc(O)c(CN2CCC([NH2+]C3CCC3)CC2)cc1Cl ZINC000897982741 619202955 /nfs/dbraw/zinc/20/29/55/619202955.db2.gz QPNCYNZKGZQBBQ-UHFFFAOYSA-N 0 0 308.853 3.461 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2C[C@H]3CCC[C@H]32)cc1 ZINC000898288524 619232501 /nfs/dbraw/zinc/23/25/01/619232501.db2.gz LLBCELSLPFZXLC-DJIMGWMZSA-N 0 0 301.434 3.083 20 10 DGCDRN CC[C@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000926963144 619253328 /nfs/dbraw/zinc/25/33/28/619253328.db2.gz MNXFMVFQRRQRKP-GXTWGEPZSA-N 0 0 322.346 3.455 20 10 DGCDRN CC[C@H]([NH2+]CCOC1CCOCC1)c1cccc(Cl)c1[O-] ZINC000927076374 619262570 /nfs/dbraw/zinc/26/25/70/619262570.db2.gz GPTYPEBNNKCYGH-HNNXBMFYSA-N 0 0 313.825 3.282 20 10 DGCDRN C[C@@H]([NH2+]CCO[C@@H]1CCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000927079544 619262977 /nfs/dbraw/zinc/26/29/77/619262977.db2.gz FXMKIFOYCWZAFT-NXEZZACHSA-N 0 0 320.216 3.155 20 10 DGCDRN CCOCCOCC[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000927087228 619264302 /nfs/dbraw/zinc/26/43/02/619264302.db2.gz OVHQWMIZNNPISX-CQSZACIVSA-N 0 0 301.814 3.139 20 10 DGCDRN COC(=O)C1CCC([NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000898611364 619288353 /nfs/dbraw/zinc/28/83/53/619288353.db2.gz VCCJYQUECCCLCN-UHFFFAOYSA-N 0 0 315.772 3.006 20 10 DGCDRN COc1ccc(/C=C2/SC(=S)N(C3CC3)C2=O)c(C)c1 ZINC000899260439 619323629 /nfs/dbraw/zinc/32/36/29/619323629.db2.gz GZWKWOQHSXBZAM-MDWZMJQESA-N 0 0 305.424 3.367 20 10 DGCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)CCF)cc1 ZINC000900129846 619407868 /nfs/dbraw/zinc/40/78/68/619407868.db2.gz OJSPPSNIUQYHOU-UHFFFAOYSA-N 0 0 304.365 3.234 20 10 DGCDRN CCN1C(=O)/C(=C/c2cn(C)nc2C2CCCC2)SC1=S ZINC000901415358 619497996 /nfs/dbraw/zinc/49/79/96/619497996.db2.gz IKZFYBXSYRCOPU-WQLSENKSSA-N 0 0 321.471 3.299 20 10 DGCDRN C[C@]12CSC[C@H]1C[N@H+](Cc1c(O)ccc3ccncc31)C2 ZINC000902673688 619661678 /nfs/dbraw/zinc/66/16/78/619661678.db2.gz FFSYUSUTIKJATQ-DYVFJYSZSA-N 0 0 300.427 3.125 20 10 DGCDRN CC[C@H]([NH2+][C@H]1CCCN2CCSC[C@H]12)c1ccc(F)cc1[O-] ZINC000903271660 619750122 /nfs/dbraw/zinc/75/01/22/619750122.db2.gz JZSGKFFHLVYRCR-HRCADAONSA-N 0 0 324.465 3.152 20 10 DGCDRN CCN(C)c1ccc([C@H](C)[NH2+]Cc2cnn(CCF)c2)cc1 ZINC000903274354 619750605 /nfs/dbraw/zinc/75/06/05/619750605.db2.gz WCJPOUNGZPJAGK-AWEZNQCLSA-N 0 0 304.413 3.160 20 10 DGCDRN C[C@H](NCc1cn(C)cn1)c1ccc(N2CCCCC2)c(F)c1 ZINC000903351107 619763462 /nfs/dbraw/zinc/76/34/62/619763462.db2.gz HQHYVJMSOOTCRY-AWEZNQCLSA-N 0 0 316.424 3.400 20 10 DGCDRN Nc1ccc(Cc2noc(C[C@@H]3CCC4(CCC4)CO3)n2)cc1 ZINC000904077072 619871331 /nfs/dbraw/zinc/87/13/31/619871331.db2.gz OLWXHZXCKFEXAI-HNNXBMFYSA-N 0 0 313.401 3.134 20 10 DGCDRN O=C1Nc2ccccc2/C1=C\c1ccc(N2CCC(O)CC2)cc1 ZINC000905068722 619970095 /nfs/dbraw/zinc/97/00/95/619970095.db2.gz IESXHSVWEGHUBX-QGOAFFKASA-N 0 0 320.392 3.140 20 10 DGCDRN O=C1Oc2ccccc2/C1=C\c1ccc(N2CCC(O)CC2)cc1 ZINC000905071186 619970431 /nfs/dbraw/zinc/97/04/31/619970431.db2.gz QWABJPCVVHASNO-QGOAFFKASA-N 0 0 321.376 3.107 20 10 DGCDRN CCCOc1ccccc1NC[C@@H](O)CC1(CO)CCCC1 ZINC000905301058 619988137 /nfs/dbraw/zinc/98/81/37/619988137.db2.gz MQNQVQFMPMNHGP-HNNXBMFYSA-N 0 0 307.434 3.191 20 10 DGCDRN Cc1cccc(N(CC(C)(C)C)C(=O)/C=C\c2cn(C)cn2)n1 ZINC000905878449 620040177 /nfs/dbraw/zinc/04/01/77/620040177.db2.gz JCEXYCMANFYUML-KTKRTIGZSA-N 0 0 312.417 3.216 20 10 DGCDRN CN(C)C(=O)c1cccc(NCc2c(O)cccc2Cl)c1 ZINC000149163492 620100111 /nfs/dbraw/zinc/10/01/11/620100111.db2.gz XCWAZHSDODXWKO-UHFFFAOYSA-N 0 0 304.777 3.360 20 10 DGCDRN COc1cccc(CNC(=O)C2(C3CCCCC3)CC2)c1O ZINC000907061133 620136121 /nfs/dbraw/zinc/13/61/21/620136121.db2.gz RQOQDQDUKPZBBI-UHFFFAOYSA-N 0 0 303.402 3.378 20 10 DGCDRN CC(C)(NC(=O)c1cc2cc(O)c(O)cc2s1)C(F)F ZINC000907876938 620178042 /nfs/dbraw/zinc/17/80/42/620178042.db2.gz KYDIUHLDDWKXFR-UHFFFAOYSA-N 0 0 301.314 3.086 20 10 DGCDRN COCCC1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCC1 ZINC000907893082 620178717 /nfs/dbraw/zinc/17/87/17/620178717.db2.gz FINSRQCCQCTISZ-UHFFFAOYSA-N 0 0 321.398 3.002 20 10 DGCDRN CCC[C@]1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCOC1 ZINC000908156316 620190821 /nfs/dbraw/zinc/19/08/21/620190821.db2.gz MXUYCXJIHJXVFY-INIZCTEOSA-N 0 0 321.398 3.002 20 10 DGCDRN COc1ccc2c(c1)CCCN2CC(=O)NC1CCCCCC1 ZINC000027578898 620228525 /nfs/dbraw/zinc/22/85/25/620228525.db2.gz RFOYFTJMQZPSHE-UHFFFAOYSA-N 0 0 316.445 3.287 20 10 DGCDRN COC(=O)c1cccc(CN2CCCc3cc(OC)ccc32)c1 ZINC000027959786 620264292 /nfs/dbraw/zinc/26/42/92/620264292.db2.gz CUGPTPOBGMLHFN-UHFFFAOYSA-N 0 0 311.381 3.435 20 10 DGCDRN CCc1csc([C@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)n1 ZINC000910729125 620307257 /nfs/dbraw/zinc/30/72/57/620307257.db2.gz IZUJXDMLGOHQKW-BXKUYDPTSA-N 0 0 318.398 3.007 20 10 DGCDRN CC(C)(C)c1ccc(C(=O)NCc2ccc(O)cc2O)s1 ZINC000910950008 620318632 /nfs/dbraw/zinc/31/86/32/620318632.db2.gz ABPSMNPQHYYPLO-UHFFFAOYSA-N 0 0 305.399 3.387 20 10 DGCDRN CC1(C)[C@H](C(=O)NCc2ccc(O)cc2O)[C@H]1c1ccccc1 ZINC000910955882 620318973 /nfs/dbraw/zinc/31/89/73/620318973.db2.gz IDIWYHZKMUQHJU-SJORKVTESA-N 0 0 311.381 3.154 20 10 DGCDRN CCC1(C(=O)NCc2ccc(O)cc2O)CCC(F)(F)CC1 ZINC000910943244 620319564 /nfs/dbraw/zinc/31/95/64/620319564.db2.gz LISXLZQKBHHTHA-UHFFFAOYSA-N 0 0 313.344 3.320 20 10 DGCDRN Cc1nc(C)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000028495305 620330593 /nfs/dbraw/zinc/33/05/93/620330593.db2.gz SMRQWJONUXAPQU-UHFFFAOYSA-N 0 0 303.431 3.098 20 10 DGCDRN Nc1ccc(CCNC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)cc1 ZINC000911783820 620346141 /nfs/dbraw/zinc/34/61/41/620346141.db2.gz ZGEYQEFELIMWRF-MSOLQXFVSA-N 0 0 308.425 3.196 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)/C(F)=C(\C)C3CC3)C2)cc1 ZINC000912292896 620377150 /nfs/dbraw/zinc/37/71/50/620377150.db2.gz PYABIVVKOSHNDS-VMOJBDSFSA-N 0 0 318.392 3.044 20 10 DGCDRN CCOC(=O)c1nc(CN(C)c2ccc(OCC)cc2)cs1 ZINC000150732766 620388149 /nfs/dbraw/zinc/38/81/49/620388149.db2.gz FTVDPPJGAGNIBN-UHFFFAOYSA-N 0 0 320.414 3.355 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2c(F)cccc2Cl)cc1 ZINC000029981000 620469767 /nfs/dbraw/zinc/46/97/67/620469767.db2.gz FKIWNWKRPZPBGZ-UHFFFAOYSA-N 0 0 306.768 3.475 20 10 DGCDRN Cc1ccccc1CNC(=O)NCCCSc1nccs1 ZINC000151735162 620472559 /nfs/dbraw/zinc/47/25/59/620472559.db2.gz USYOXXIRMGGCDC-UHFFFAOYSA-N 0 0 321.471 3.433 20 10 DGCDRN Cc1ccccc1C1=NO[C@@H](C(=O)N[C@H](C)c2ccccc2O)C1 ZINC000913763969 620477971 /nfs/dbraw/zinc/47/79/71/620477971.db2.gz XJDUQKQHVPHYHK-FZKQIMNGSA-N 0 0 324.380 3.071 20 10 DGCDRN CC(C)OC1CCC(NC(=O)N(C)Cc2ccccc2O)CC1 ZINC000151956067 620483986 /nfs/dbraw/zinc/48/39/86/620483986.db2.gz CDQHJYGFSLVLTA-UHFFFAOYSA-N 0 0 320.433 3.270 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cccn2C(C)C)c1 ZINC000152373071 620503095 /nfs/dbraw/zinc/50/30/95/620503095.db2.gz SFYWHJRUYCLQLX-LBPRGKRZSA-N 0 0 302.374 3.274 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cc(Cl)ccn1 ZINC000915082350 620567595 /nfs/dbraw/zinc/56/75/95/620567595.db2.gz CRQMLKUNHLOAIW-UHFFFAOYSA-N 0 0 315.804 3.265 20 10 DGCDRN CC(=O)Nc1ccc(NC(=S)NNc2ccccc2C)cc1 ZINC000915117639 620569083 /nfs/dbraw/zinc/56/90/83/620569083.db2.gz RGCXVPDHTUCWOT-UHFFFAOYSA-N 0 0 314.414 3.267 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H](C)C[C@@H](C)O ZINC000153858380 620618244 /nfs/dbraw/zinc/61/82/44/620618244.db2.gz HRJYCMFQSBNPMT-SMDDNHRTSA-N 0 0 320.458 3.292 20 10 DGCDRN CC(C)(C)OCCCNC(=O)NCc1cc(Cl)ccc1O ZINC000852551098 620628496 /nfs/dbraw/zinc/62/84/96/620628496.db2.gz LKSZLLMANAACEN-UHFFFAOYSA-N 0 0 314.813 3.050 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)OCC1CC1 ZINC000920818164 620824370 /nfs/dbraw/zinc/82/43/70/620824370.db2.gz BJPGMRRICLVPOW-OAHLLOKOSA-N 0 0 318.461 3.305 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1C[C@H]2CCCCN2c2ccccc21 ZINC000854665984 620827567 /nfs/dbraw/zinc/82/75/67/620827567.db2.gz KNBVXBFXSRYBND-GFCCVEGCSA-N 0 0 314.410 3.473 20 10 DGCDRN Cc1cc(C(=O)N2CCC23COC3)c(C)n1-c1cc(C)cc(C)c1 ZINC000854838488 620845280 /nfs/dbraw/zinc/84/52/80/620845280.db2.gz LMVDUTSYXSKOMA-UHFFFAOYSA-N 0 0 324.424 3.326 20 10 DGCDRN CC(C)(C)OC(=O)c1cncc(NC(=O)C2=CC(=O)CS2)c1 ZINC000855046444 620865410 /nfs/dbraw/zinc/86/54/10/620865410.db2.gz CWHQIYVTSTZLRT-UHFFFAOYSA-N 0 0 320.370 3.056 20 10 DGCDRN COc1ccccc1[C@@H](C)N(OC)C(=O)C1=CC(=O)CS1 ZINC000855130604 620872522 /nfs/dbraw/zinc/87/25/22/620872522.db2.gz KYRANEWBCWCLHD-SNVBAGLBSA-N 0 0 307.371 3.227 20 10 DGCDRN Cc1cc(C(=O)N(C)Cc2c[nH]cn2)c(C)n1-c1ccccc1C ZINC000855134620 620873074 /nfs/dbraw/zinc/87/30/74/620873074.db2.gz UOIGPRUJDPQLQO-UHFFFAOYSA-N 0 0 322.412 3.398 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCC[C@@H]3C)C2)cc1 ZINC000855225053 620881804 /nfs/dbraw/zinc/88/18/04/620881804.db2.gz NMEUQWZOLGGRKL-RLFYNMQTSA-N 0 0 316.445 3.216 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)C3=CC[C@H](C)CC3)C2)cc1 ZINC000855226788 620881936 /nfs/dbraw/zinc/88/19/36/620881936.db2.gz UESRWFCGQDETGD-HOCLYGCPSA-N 0 0 314.429 3.137 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)[C@H]3C[C@@]3(C)C(C)C)C2)cc1 ZINC000855225526 620881957 /nfs/dbraw/zinc/88/19/57/620881957.db2.gz KANXRFCCHQHFQD-YJLNNSPDSA-N 0 0 316.445 3.072 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cscc3C)C2)cc1 ZINC000855231401 620882176 /nfs/dbraw/zinc/88/21/76/620882176.db2.gz LQWZAPOZHXTNAW-CYBMUJFWSA-N 0 0 316.426 3.074 20 10 DGCDRN CCC(C)(C)CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855232244 620882213 /nfs/dbraw/zinc/88/22/13/620882213.db2.gz RRTDKSWPKQYXLC-CQSZACIVSA-N 0 0 304.434 3.216 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)C(C)(C)CC(C)C)C2)cc1 ZINC000855233587 620882377 /nfs/dbraw/zinc/88/23/77/620882377.db2.gz ISOAINOBHFBENO-OAHLLOKOSA-N 0 0 318.461 3.462 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)CC(C)C)C2)cc1 ZINC000855228316 620882487 /nfs/dbraw/zinc/88/24/87/620882487.db2.gz ZMWYXONZXRFUHG-LSDHHAIUSA-N 0 0 304.434 3.072 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)c3ccc(C)c(C)c3)C2)cc1 ZINC000855234618 620882768 /nfs/dbraw/zinc/88/27/68/620882768.db2.gz HESCLHZYKLJWCA-KRWDZBQOSA-N 0 0 324.424 3.321 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)C[C@H]3CC[C@H](C)C3)C2)cc1 ZINC000855233996 620882883 /nfs/dbraw/zinc/88/28/83/620882883.db2.gz QKBXQBKMPHHQGH-JYJNAYRXSA-N 0 0 316.445 3.216 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)C(F)=C3CCCC3)C2)cc1 ZINC000855233891 620882994 /nfs/dbraw/zinc/88/29/94/620882994.db2.gz OQUGRQMQXQESOT-CQSZACIVSA-N 0 0 318.392 3.188 20 10 DGCDRN O=C(NC[C@H](OC1CCCC1)C(F)(F)F)C1=CC(=O)CS1 ZINC000855389721 620898675 /nfs/dbraw/zinc/89/86/75/620898675.db2.gz BGFIKUWKAFMUGK-NSHDSACASA-N 0 0 323.336 3.074 20 10 DGCDRN C[C@@H](NC(=O)CSC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773021828 620938476 /nfs/dbraw/zinc/93/84/76/620938476.db2.gz TUHBDYMKHQYGGP-SECBINFHSA-N 0 0 306.353 3.183 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CCCO1)c1cc(Br)c(F)cc1[O-] ZINC000756354389 620959852 /nfs/dbraw/zinc/95/98/52/620959852.db2.gz AAWFCEJQEUXFDM-DTWKUNHWSA-N 0 0 318.186 3.123 20 10 DGCDRN CCC(C)(CC)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856212098 620972679 /nfs/dbraw/zinc/97/26/79/620972679.db2.gz GTEJZNVRYHLIAH-UHFFFAOYSA-N 0 0 318.461 3.090 20 10 DGCDRN Cc1cc(C(=O)N[C@H]2C[C@H](O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000856394129 620991659 /nfs/dbraw/zinc/99/16/59/620991659.db2.gz DESXRPYGRFBRLU-CTYIDZIISA-N 0 0 318.804 3.001 20 10 DGCDRN FC(F)c1ccnc(CNCc2ccc3c(c2)CCCO3)n1 ZINC000922128935 620991988 /nfs/dbraw/zinc/99/19/88/620991988.db2.gz NCOSLAPXZDWVJU-UHFFFAOYSA-N 0 0 305.328 3.029 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2ccccc2Cl)c1 ZINC000114512524 621008795 /nfs/dbraw/zinc/00/87/95/621008795.db2.gz NOXAKJCPRGTYMW-UHFFFAOYSA-N 0 0 306.749 3.376 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)c1 ZINC000114543171 621009408 /nfs/dbraw/zinc/00/94/08/621009408.db2.gz BNCLCGOSMFDWKZ-HOCLYGCPSA-N 0 0 303.402 3.255 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2sccc2SC)c1 ZINC000114543445 621009423 /nfs/dbraw/zinc/00/94/23/621009423.db2.gz XIZMBMNVFONEEQ-UHFFFAOYSA-N 0 0 309.412 3.114 20 10 DGCDRN O=C(NCc1c(O)cccc1F)NCC1CCC(F)(F)CC1 ZINC000922365693 621030377 /nfs/dbraw/zinc/03/03/77/621030377.db2.gz VAVFYGRDUBQUOZ-UHFFFAOYSA-N 0 0 316.323 3.156 20 10 DGCDRN CN(C)C(=O)Cc1ccc(NCc2c(O)cccc2Cl)cc1 ZINC000114763004 621044422 /nfs/dbraw/zinc/04/44/22/621044422.db2.gz POWKSJAEJHDFGD-UHFFFAOYSA-N 0 0 318.804 3.288 20 10 DGCDRN CCOc1ccc(CN[C@@H]2c3ccccc3OC[C@@H]2F)c(O)c1 ZINC000922524514 621050964 /nfs/dbraw/zinc/05/09/64/621050964.db2.gz DPKMYQFECDRNKW-MAUKXSAKSA-N 0 0 317.360 3.352 20 10 DGCDRN [NH3+][C@@]12CCC[C@@H]1CN(Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC000857226191 621071175 /nfs/dbraw/zinc/07/11/75/621071175.db2.gz HEZVXNRECLIZAQ-QMTHXVAHSA-N 0 0 301.217 3.012 20 10 DGCDRN Cc1cc(-c2nc(C(=O)N(C)Cc3ccccc3O)co2)ccn1 ZINC000857467252 621089625 /nfs/dbraw/zinc/08/96/25/621089625.db2.gz XFUGWBBEDJSRAG-UHFFFAOYSA-N 0 0 323.352 3.023 20 10 DGCDRN Cc1cccc(OCC(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000115280053 621092769 /nfs/dbraw/zinc/09/27/69/621092769.db2.gz ICNVCJDXKRPVSB-UHFFFAOYSA-N 0 0 312.413 3.065 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCOc2ccccc21 ZINC000115281312 621094415 /nfs/dbraw/zinc/09/44/15/621094415.db2.gz NIHHIEGHWXIFIS-SFHVURJKSA-N 0 0 324.424 3.244 20 10 DGCDRN CO[C@H](C(=O)NCc1ccc(N(C)C)cc1C)c1ccccc1 ZINC000115281431 621094559 /nfs/dbraw/zinc/09/45/59/621094559.db2.gz QWHSWDYKULLWIG-SFHVURJKSA-N 0 0 312.413 3.065 20 10 DGCDRN CCOc1nc(C)ccc1C(=O)NCc1cc(Cl)ccc1O ZINC000857548764 621095354 /nfs/dbraw/zinc/09/53/54/621095354.db2.gz VAUVVMQEVFZVKV-UHFFFAOYSA-N 0 0 320.776 3.078 20 10 DGCDRN CO[C@@](C)(C(=O)NCc1cc(Cl)ccc1O)c1ccccc1 ZINC000857547892 621095450 /nfs/dbraw/zinc/09/54/50/621095450.db2.gz ZBPYCOAHVOFUCS-QGZVFWFLSA-N 0 0 319.788 3.224 20 10 DGCDRN CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3cc(F)cc(F)c3[O-])C2)n1 ZINC000922861183 621110177 /nfs/dbraw/zinc/11/01/77/621110177.db2.gz ASMYNWGPLPVZOK-SKDRFNHKSA-N 0 0 323.343 3.042 20 10 DGCDRN C[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1cc(F)cc(F)c1[O-] ZINC000756420055 621118792 /nfs/dbraw/zinc/11/87/92/621118792.db2.gz VSFWWQIMQDKBRE-JTQLQIEISA-N 0 0 313.344 3.007 20 10 DGCDRN CCOc1ncccc1CNCc1cc(F)c(N(C)C)cc1F ZINC000858093853 621152049 /nfs/dbraw/zinc/15/20/49/621152049.db2.gz AFIYRGJKYMBDJR-UHFFFAOYSA-N 0 0 321.371 3.114 20 10 DGCDRN CN(C)c1cc(F)c(CN[C@](C)(CO)c2ccccc2)cc1F ZINC000858138640 621156695 /nfs/dbraw/zinc/15/66/95/621156695.db2.gz GUULBOTZLDGVBL-GOSISDBHSA-N 0 0 320.383 3.028 20 10 DGCDRN Cn1nc(NCc2c(O)cccc2Br)cc1C1CC1 ZINC000858165079 621160704 /nfs/dbraw/zinc/16/07/04/621160704.db2.gz AIMDVWVHHGHEMD-UHFFFAOYSA-N 0 0 322.206 3.378 20 10 DGCDRN Cc1cc(O)c(CN[C@H](c2cnn(C)c2)C(F)(F)F)cc1C ZINC000858164015 621160711 /nfs/dbraw/zinc/16/07/11/621160711.db2.gz NRWQKDFDASMLDA-CQSZACIVSA-N 0 0 313.323 3.136 20 10 DGCDRN CN(C)c1cc(F)c(CNc2cccc(CCO)c2)cc1F ZINC000858174243 621161707 /nfs/dbraw/zinc/16/17/07/621161707.db2.gz QAYYNNCONIZQOF-UHFFFAOYSA-N 0 0 306.356 3.178 20 10 DGCDRN C[C@H](O)[C@H](NCc1cc(F)c(N(C)C)cc1F)c1ccccc1 ZINC000858196412 621163853 /nfs/dbraw/zinc/16/38/53/621163853.db2.gz ONZMSEZBEAPGAT-SGTLLEGYSA-N 0 0 320.383 3.243 20 10 DGCDRN C[C@@H](CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccco1 ZINC000858199309 621164315 /nfs/dbraw/zinc/16/43/15/621164315.db2.gz IGWZOCZWLNTYJT-AWEZNQCLSA-N 0 0 300.402 3.498 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2c3ccccc3C[C@H]2C)c1 ZINC000858212506 621165007 /nfs/dbraw/zinc/16/50/07/621165007.db2.gz VKFDKHULNCAQSE-FZKQIMNGSA-N 0 0 310.397 3.433 20 10 DGCDRN CCO[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1CC1 ZINC000858341664 621178284 /nfs/dbraw/zinc/17/82/84/621178284.db2.gz KCGVUZMTYAYGJG-GOSISDBHSA-N 0 0 316.445 3.059 20 10 DGCDRN CCc1cnccc1[C@@H](C)NC(=O)NCc1cc(C)ccc1O ZINC000858344486 621178788 /nfs/dbraw/zinc/17/87/88/621178788.db2.gz OXKDDIRKTSWBPZ-CYBMUJFWSA-N 0 0 313.401 3.218 20 10 DGCDRN CCN(CC)c1ccc(CNc2cc(Cl)nc(=O)[nH]2)cc1 ZINC000858352573 621179772 /nfs/dbraw/zinc/17/97/72/621179772.db2.gz BZHCNSVMPPFNHW-UHFFFAOYSA-N 0 0 306.797 3.294 20 10 DGCDRN COc1cccnc1NCc1ccc(N2CCSCC2)cc1 ZINC000858353441 621179991 /nfs/dbraw/zinc/17/99/91/621179991.db2.gz LIBAGCCVYIJHNQ-UHFFFAOYSA-N 0 0 315.442 3.256 20 10 DGCDRN Cc1ccc(Cl)c(OC[C@H](O)CN(C)c2ccc(N)cc2)c1 ZINC000923400757 621181216 /nfs/dbraw/zinc/18/12/16/621181216.db2.gz OBQFTCZVUZBNJU-OAHLLOKOSA-N 0 0 320.820 3.107 20 10 DGCDRN CN(C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)c1ccc(N)cc1 ZINC000923401573 621181637 /nfs/dbraw/zinc/18/16/37/621181637.db2.gz WPZFNRVFQPQZKB-INIZCTEOSA-N 0 0 324.346 3.327 20 10 DGCDRN CC[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000923474153 621186376 /nfs/dbraw/zinc/18/63/76/621186376.db2.gz WMFLDBTVXWERCX-SFHVURJKSA-N 0 0 304.434 3.138 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000858432837 621190337 /nfs/dbraw/zinc/19/03/37/621190337.db2.gz NAYWEBWSNOBOSW-QDMKHBRRSA-N 0 0 320.433 3.094 20 10 DGCDRN C[C@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1ccc(F)cc1[O-] ZINC000858452607 621192990 /nfs/dbraw/zinc/19/29/90/621192990.db2.gz MTGCRKIGSVPRTH-QMMMGPOBSA-N 0 0 317.286 3.134 20 10 DGCDRN CC(C)N(C)CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788590233 621199439 /nfs/dbraw/zinc/19/94/39/621199439.db2.gz UYTVXVUKIQYAHO-NSHDSACASA-N 0 0 304.356 3.402 20 10 DGCDRN CCOC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000858508361 621200122 /nfs/dbraw/zinc/20/01/22/621200122.db2.gz MYYYXYHXWLLBBS-ZWNOBZJWSA-N 0 0 309.793 3.348 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000858531324 621202250 /nfs/dbraw/zinc/20/22/50/621202250.db2.gz DKSIKNPMKOAAHE-RISCZKNCSA-N 0 0 310.388 3.338 20 10 DGCDRN CC(C)[C@@](C)(O)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788591886 621202406 /nfs/dbraw/zinc/20/24/06/621202406.db2.gz JHRBZVMKKYTZGJ-YGRLFVJLSA-N 0 0 305.340 3.469 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cc1 ZINC000858605349 621209530 /nfs/dbraw/zinc/20/95/30/621209530.db2.gz RTSJRAJLGZDTFM-KRXQYRFLSA-N 0 0 318.461 3.209 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC[C@H]2CCCC23CC3)cc1 ZINC000859014638 621239633 /nfs/dbraw/zinc/23/96/33/621239633.db2.gz LWXFYQUFUPIADC-OAHLLOKOSA-N 0 0 301.434 3.132 20 10 DGCDRN COc1ccc(N(C)Cc2cc(Cl)n(C)n2)cc1Cl ZINC000859164445 621256109 /nfs/dbraw/zinc/25/61/09/621256109.db2.gz ZJBYTPYCNHGOIA-UHFFFAOYSA-N 0 0 300.189 3.372 20 10 DGCDRN COc1ccc2c(c1)CCN2Cc1ccncc1Br ZINC000859176957 621257681 /nfs/dbraw/zinc/25/76/81/621257681.db2.gz SWYXBWXDFASWSD-UHFFFAOYSA-N 0 0 319.202 3.415 20 10 DGCDRN C[C@@]1(F)CCCN(C(=O)NCCCSc2nccs2)C1 ZINC000838515169 621261844 /nfs/dbraw/zinc/26/18/44/621261844.db2.gz JVVYQFYZIGPGMX-CYBMUJFWSA-N 0 0 317.455 3.159 20 10 DGCDRN Cc1ccc(F)c(CCNC(=O)N(C)Cc2ccccc2O)c1 ZINC000838685924 621269238 /nfs/dbraw/zinc/26/92/38/621269238.db2.gz YUXFXTZTAWRRAQ-UHFFFAOYSA-N 0 0 316.376 3.224 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCC(C)(C)C(C)(C)O ZINC000838720073 621273287 /nfs/dbraw/zinc/27/32/87/621273287.db2.gz VTINGXPYCACGTH-UHFFFAOYSA-N 0 0 322.449 3.111 20 10 DGCDRN COc1cccc(CNC(=O)NCC2(C3CCC3)CCC2)c1O ZINC000838730918 621274062 /nfs/dbraw/zinc/27/40/62/621274062.db2.gz OAJNFFSEHOTUAJ-UHFFFAOYSA-N 0 0 318.417 3.170 20 10 DGCDRN COc1cccc(CNC(=O)N[C@@H](C)[C@@H]2CCC[C@H](C)C2)c1O ZINC000838729784 621274272 /nfs/dbraw/zinc/27/42/72/621274272.db2.gz ISSFOMMQBVQYPO-MELADBBJSA-N 0 0 320.433 3.415 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@H]1C(C)C ZINC000838761232 621275811 /nfs/dbraw/zinc/27/58/11/621275811.db2.gz MCVHQZVBKVZUER-DLBZAZTESA-N 0 0 303.450 3.329 20 10 DGCDRN COc1cc(N(C)CCOCC2CCCC2)cc(OC)c1OC ZINC000838852462 621290087 /nfs/dbraw/zinc/29/00/87/621290087.db2.gz BNOOECLVVVVNPK-UHFFFAOYSA-N 0 0 323.433 3.355 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N(C)C2CCC2)cc1 ZINC000859638853 621302736 /nfs/dbraw/zinc/30/27/36/621302736.db2.gz SGRGVAQCSNDPIE-UHFFFAOYSA-N 0 0 324.424 3.460 20 10 DGCDRN Cc1c(N)cccc1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000859728928 621314772 /nfs/dbraw/zinc/31/47/72/621314772.db2.gz AIBLCIJGGMPBAR-UHFFFAOYSA-N 0 0 324.428 3.281 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCC(F)F)ccc1C ZINC000859767316 621320334 /nfs/dbraw/zinc/32/03/34/621320334.db2.gz QLFHQCJKSXAQOW-UHFFFAOYSA-N 0 0 320.339 3.210 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1cnsn1 ZINC000839113004 621331017 /nfs/dbraw/zinc/33/10/17/621331017.db2.gz MWFBELOPJWUSFD-UHFFFAOYSA-N 0 0 319.434 3.047 20 10 DGCDRN COc1c([O-])c(C[NH2+]C2(C3CCC3)CCC2)ccc1[N+](=O)[O-] ZINC000839185815 621345081 /nfs/dbraw/zinc/34/50/81/621345081.db2.gz AZKBVLKDKIJOFE-UHFFFAOYSA-N 0 0 306.362 3.121 20 10 DGCDRN CC(C)n1ncc(C(=O)N(C)Cc2ccccc2O)c1Cl ZINC000860048414 621358103 /nfs/dbraw/zinc/35/81/03/621358103.db2.gz UVCZJNCOAFINHX-UHFFFAOYSA-N 0 0 307.781 3.095 20 10 DGCDRN CCN(CC)c1ccc(CN(C)[C@@H](C)c2nnc(C)[nH]2)cc1 ZINC000839459604 621378429 /nfs/dbraw/zinc/37/84/29/621378429.db2.gz OSSQCVKCJMTEDK-ZDUSSCGKSA-N 0 0 301.438 3.152 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2CCc3ccccc3O2)cc1 ZINC000839467787 621378727 /nfs/dbraw/zinc/37/87/27/621378727.db2.gz JBJBGNWRLPFPJZ-LJQANCHMSA-N 0 0 324.424 3.105 20 10 DGCDRN CCOc1ccc(N(CC)Cc2ccc(S(C)(=O)=O)o2)cc1 ZINC000839515139 621380372 /nfs/dbraw/zinc/38/03/72/621380372.db2.gz PHPZHHMVDYUYMM-UHFFFAOYSA-N 0 0 323.414 3.108 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)OC[C@H]2CCCO2)cc1F ZINC000804991111 621392306 /nfs/dbraw/zinc/39/23/06/621392306.db2.gz IHPNFRIBUKQQKO-CQSZACIVSA-N 0 0 324.396 3.077 20 10 DGCDRN C[C@H](NC(=O)C1=CC(=O)CS1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000752824822 621412457 /nfs/dbraw/zinc/41/24/57/621412457.db2.gz ZUPOJUXKVUSTLM-YHAQOWFVSA-N 0 0 303.383 3.137 20 10 DGCDRN CCc1nc(NC(=O)NCc2cc(C)ccc2O)sc1C ZINC000860706453 621434441 /nfs/dbraw/zinc/43/44/41/621434441.db2.gz WPWZKXKAIYGLMI-UHFFFAOYSA-N 0 0 305.403 3.350 20 10 DGCDRN COCCc1nc2cc(NC(=O)C3=CC(=O)CS3)ccc2o1 ZINC000753338633 621437453 /nfs/dbraw/zinc/43/74/53/621437453.db2.gz RQWUGOYXKNMWNR-UHFFFAOYSA-N 0 0 318.354 3.036 20 10 DGCDRN CCn1nc(NC(=O)NCc2cc(C)ccc2O)cc1C1CC1 ZINC000860740198 621438417 /nfs/dbraw/zinc/43/84/17/621438417.db2.gz RAKZMDYBDHUNGV-UHFFFAOYSA-N 0 0 314.389 3.116 20 10 DGCDRN Cc1ccc(C2CCN(C(=O)C3=CC(=O)CS3)CC2)cn1 ZINC000753467995 621441752 /nfs/dbraw/zinc/44/17/52/621441752.db2.gz QWSQAGOFKKJZPI-UHFFFAOYSA-N 0 0 302.399 3.177 20 10 DGCDRN C[C@@H]1C[C@@H](CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC000753584952 621451298 /nfs/dbraw/zinc/45/12/98/621451298.db2.gz CHBUOWKDFMUUJA-MNOVXSKESA-N 0 0 301.789 3.480 20 10 DGCDRN COc1ccc(N(C)CC2CCC3(CC2)OCCO3)cc1OC ZINC000753706000 621460990 /nfs/dbraw/zinc/46/09/90/621460990.db2.gz QYCASGUAUSJMDH-UHFFFAOYSA-N 0 0 321.417 3.073 20 10 DGCDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccccc1O ZINC000789428286 625493949 /nfs/dbraw/zinc/49/39/49/625493949.db2.gz NEEUWFDDVGOPIK-UHFFFAOYSA-N 0 0 315.329 3.239 20 10 DGCDRN CN(C)c1ccc(CNc2ncnc3[nH]c(Cl)cc32)cc1F ZINC000754678859 621523969 /nfs/dbraw/zinc/52/39/69/621523969.db2.gz YCSWFRMEOPRXPZ-UHFFFAOYSA-N 0 0 319.771 3.429 20 10 DGCDRN COc1cc(C)cc(CN2CCOC[C@@H]2c2ccccc2)c1O ZINC000754736760 621529295 /nfs/dbraw/zinc/52/92/95/621529295.db2.gz KZULWFMRPYQSSN-QGZVFWFLSA-N 0 0 313.397 3.283 20 10 DGCDRN Cc1cc(C)c(O)c(CN2C[C@H](C(F)(F)F)O[C@@H](C)C2)c1 ZINC000754736843 621529410 /nfs/dbraw/zinc/52/94/10/621529410.db2.gz NWLNAILVGIYEDQ-WCQYABFASA-N 0 0 303.324 3.161 20 10 DGCDRN CSc1cc(O)ccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000754746671 621530541 /nfs/dbraw/zinc/53/05/41/621530541.db2.gz JWMNMEFNPYXOAA-CLTKARDFSA-N 0 0 317.366 3.177 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCS[C@H](C)[C@H]1C ZINC000118581817 621539630 /nfs/dbraw/zinc/53/96/30/621539630.db2.gz QUOVEJMMOPHHDO-ZIAGYGMSSA-N 0 0 321.490 3.096 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)[C@H]1CCCC(F)(F)C1 ZINC000862025782 621551129 /nfs/dbraw/zinc/55/11/29/621551129.db2.gz AUBLUMAVLGPQLG-LBPRGKRZSA-N 0 0 320.339 3.382 20 10 DGCDRN Cc1nc(C2CC2)oc1C(=O)NCc1ccc2cccnc2c1O ZINC000862026924 621551315 /nfs/dbraw/zinc/55/13/15/621551315.db2.gz DGTVQZSSAXPUHQ-UHFFFAOYSA-N 0 0 323.352 3.044 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@]1(C)CCCO1 ZINC000755173719 621557070 /nfs/dbraw/zinc/55/70/70/621557070.db2.gz JHHLHTXHYQIQPZ-SFHVURJKSA-N 0 0 304.434 3.059 20 10 DGCDRN CN(C)c1cc(F)c(CN2CCOC[C@H]2c2ccco2)cc1F ZINC000862243333 621566197 /nfs/dbraw/zinc/56/61/97/621566197.db2.gz HVBJGWGJBGSMCG-INIZCTEOSA-N 0 0 322.355 3.197 20 10 DGCDRN COC[C@H](C)CC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000755380875 621569775 /nfs/dbraw/zinc/56/97/75/621569775.db2.gz IXOXLZOFJZEPPZ-CYBMUJFWSA-N 0 0 324.384 3.007 20 10 DGCDRN C[C@H]1CN(Cc2cc(F)c(N(C)C)cc2F)C[C@H](C2CC2)O1 ZINC000862352107 621576706 /nfs/dbraw/zinc/57/67/06/621576706.db2.gz ZFGVUZYHTNJTKQ-APPDUMDISA-N 0 0 310.388 3.030 20 10 DGCDRN CCN(Cc1ccncc1)Cc1cc(F)c(N(C)C)cc1F ZINC000862367189 621579221 /nfs/dbraw/zinc/57/92/21/621579221.db2.gz ZAEBUQGWZMELFF-UHFFFAOYSA-N 0 0 305.372 3.448 20 10 DGCDRN Cc1nc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])[nH]c1C ZINC000862368823 621579908 /nfs/dbraw/zinc/57/99/08/621579908.db2.gz MMNUOOSLKTVUBF-UHFFFAOYSA-N 0 0 300.189 3.329 20 10 DGCDRN CN(C)c1cc(F)c(CN2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1F ZINC000862381118 621582288 /nfs/dbraw/zinc/58/22/88/621582288.db2.gz VELJHXJDPMPFLK-ZWKOTPCHSA-N 0 0 322.399 3.174 20 10 DGCDRN CN(C)c1cc(F)c(CN2C[C@]3(CCCO3)[C@H]2C2CC2)cc1F ZINC000862381116 621582338 /nfs/dbraw/zinc/58/23/38/621582338.db2.gz VELJHXJDPMPFLK-QZTJIDSGSA-N 0 0 322.399 3.174 20 10 DGCDRN O=C(NCC1CCc2ccccc2CC1)C1=CC(=O)CS1 ZINC000862398972 621584964 /nfs/dbraw/zinc/58/49/64/621584964.db2.gz SVQBAVBIJDTYPD-UHFFFAOYSA-N 0 0 301.411 3.379 20 10 DGCDRN COc1cccc(CN[C@@H](c2nccs2)C(F)(F)F)c1O ZINC000862432112 621589216 /nfs/dbraw/zinc/58/92/16/621589216.db2.gz RRMMAYJULWXHPC-NSHDSACASA-N 0 0 318.320 3.251 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000862435677 621589318 /nfs/dbraw/zinc/58/93/18/621589318.db2.gz GYMSKBAVIJZPML-AWEZNQCLSA-N 0 0 321.779 3.416 20 10 DGCDRN [O-]c1c(F)cccc1C[N@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000862481988 621593666 /nfs/dbraw/zinc/59/36/66/621593666.db2.gz CEUPJDYLUQKDOU-GOSISDBHSA-N 0 0 301.361 3.015 20 10 DGCDRN COC[C@@H](C)CC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000755811472 621595153 /nfs/dbraw/zinc/59/51/53/621595153.db2.gz YWGMCTCDURZPOC-AWEZNQCLSA-N 0 0 317.385 3.187 20 10 DGCDRN COc1cccc2c1CN(Cc1ccc(N3CCOCC3)cc1)C2 ZINC000862528711 621597034 /nfs/dbraw/zinc/59/70/34/621597034.db2.gz HKQSWJOMPCWMPS-UHFFFAOYSA-N 0 0 324.424 3.048 20 10 DGCDRN C/C=C\C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000862551700 621600867 /nfs/dbraw/zinc/60/08/67/621600867.db2.gz XSTYHYYSCNQXEP-SCOBNMCVSA-N 0 0 320.389 3.487 20 10 DGCDRN CC(C)[C@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000755968521 621607073 /nfs/dbraw/zinc/60/70/73/621607073.db2.gz MGTBHYFPVLBSKG-AWEZNQCLSA-N 0 0 307.413 3.079 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2coc(C3CCCC3)n2)c1 ZINC000862757453 621613662 /nfs/dbraw/zinc/61/36/62/621613662.db2.gz UZNQELIIAOUYNB-UHFFFAOYSA-N 0 0 300.358 3.276 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CCCc2ccc(O)c(F)c2)c1 ZINC000862757187 621613694 /nfs/dbraw/zinc/61/36/94/621613694.db2.gz KPTAFAKJKMTLHS-UHFFFAOYSA-N 0 0 317.360 3.184 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CCCOc2ccc(F)cc2)c1 ZINC000862759986 621614652 /nfs/dbraw/zinc/61/46/52/621614652.db2.gz OMWOTRMZLUUVSD-UHFFFAOYSA-N 0 0 317.360 3.315 20 10 DGCDRN O=C(N[C@H](CCc1ccccc1)C(F)F)C1=CC(=O)CS1 ZINC000862807375 621619370 /nfs/dbraw/zinc/61/93/70/621619370.db2.gz JGURCTIZCGXGEA-GFCCVEGCSA-N 0 0 311.353 3.450 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]CC2(CC(=O)[O-])CCC2)cc1 ZINC000756311280 621626792 /nfs/dbraw/zinc/62/67/92/621626792.db2.gz UPFUDMNCMBMQCP-UHFFFAOYSA-N 0 0 304.434 3.267 20 10 DGCDRN C[C@@H]([NH2+]CCc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756340092 621629096 /nfs/dbraw/zinc/62/90/96/621629096.db2.gz HVODRDARAMIKDF-LLVKDONJSA-N 0 0 304.321 3.333 20 10 DGCDRN C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1cc(F)cc(F)c1[O-] ZINC000756364014 621631414 /nfs/dbraw/zinc/63/14/14/621631414.db2.gz RMDALXRUWLUHKF-JTQLQIEISA-N 0 0 321.323 3.292 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(C)c(F)c2)c1 ZINC000756366503 621631709 /nfs/dbraw/zinc/63/17/09/621631709.db2.gz SYRSMJVUHTWULF-GFCCVEGCSA-N 0 0 317.360 3.477 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@H]2CCC[C@@]2(C)C(=O)[O-])cc1 ZINC000756390687 621634694 /nfs/dbraw/zinc/63/46/94/621634694.db2.gz VVCWHUXXCAYVFN-FUHWJXTLSA-N 0 0 304.434 3.266 20 10 DGCDRN Cc1cccc(OCC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000756458425 621639388 /nfs/dbraw/zinc/63/93/88/621639388.db2.gz WCNMLPJZDJNUJC-ZDUSSCGKSA-N 0 0 316.357 3.338 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756455534 621639522 /nfs/dbraw/zinc/63/95/22/621639522.db2.gz DDOVFEVWZVTKGB-TZMCWYRMSA-N 0 0 321.367 3.172 20 10 DGCDRN COC/C=C/C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC000863161790 621643719 /nfs/dbraw/zinc/64/37/19/621643719.db2.gz KHGDGNLWQZOESM-RMKNXTFCSA-N 0 0 312.413 3.221 20 10 DGCDRN Cc1cc(CNC(=O)[C@@H]2CO[C@H](C)C2)c(C)n1-c1ccccc1 ZINC000863164322 621644009 /nfs/dbraw/zinc/64/40/09/621644009.db2.gz GEOVHANJSJQWGW-PBHICJAKSA-N 0 0 312.413 3.135 20 10 DGCDRN Cc1cc(CNC(=O)C[C@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000863164554 621644034 /nfs/dbraw/zinc/64/40/34/621644034.db2.gz NLKSQNLRDRCIHD-MRXNPFEDSA-N 0 0 312.413 3.137 20 10 DGCDRN CCCC[C@H](COC)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756584969 621651142 /nfs/dbraw/zinc/65/11/42/621651142.db2.gz HUOGCSTWLWFESY-TZMCWYRMSA-N 0 0 309.406 3.035 20 10 DGCDRN C[C@H]([NH2+]CCC(=O)OC(C)(C)C)c1cc(F)cc(F)c1[O-] ZINC000756603277 621652073 /nfs/dbraw/zinc/65/20/73/621652073.db2.gz AEHBZCCHJRSAFD-VIFPVBQESA-N 0 0 301.333 3.053 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C1CCOCC1 ZINC000756627889 621653564 /nfs/dbraw/zinc/65/35/64/621653564.db2.gz IUSNFQABUHQUKL-NHYWBVRUSA-N 0 0 308.378 3.156 20 10 DGCDRN CCO[C@@H](CC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-])C(C)C ZINC000756629308 621654196 /nfs/dbraw/zinc/65/41/96/621654196.db2.gz PFVMLLKYOBTXKG-GUYCJALGSA-N 0 0 323.433 3.281 20 10 DGCDRN CN(CC(=O)NC1CCCCCCC1)c1ccc2c(c1)OCO2 ZINC000756645062 621655547 /nfs/dbraw/zinc/65/55/47/621655547.db2.gz MYFNAWRABHXXAI-UHFFFAOYSA-N 0 0 318.417 3.081 20 10 DGCDRN Cc1ccccc1-c1noc(CN(C)c2ccc3c(c2)OCO3)n1 ZINC000756654671 621656823 /nfs/dbraw/zinc/65/68/23/621656823.db2.gz LHCTYPCYSQCPDD-UHFFFAOYSA-N 0 0 323.352 3.410 20 10 DGCDRN C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1[O-] ZINC000756706678 621659206 /nfs/dbraw/zinc/65/92/06/621659206.db2.gz CORNWPIGZUVTIY-LLVKDONJSA-N 0 0 320.320 3.169 20 10 DGCDRN C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756713186 621659821 /nfs/dbraw/zinc/65/98/21/621659821.db2.gz VWMMOGDFACQNTQ-IGCXYCKISA-N 0 0 303.377 3.347 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCSC1)c1cc(Br)c(F)cc1[O-] ZINC000756734145 621661496 /nfs/dbraw/zinc/66/14/96/621661496.db2.gz UXXAKLGRPUTGIZ-JGVFFNPUSA-N 0 0 320.227 3.450 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1ccc(F)cc1[O-] ZINC000756760118 621662842 /nfs/dbraw/zinc/66/28/42/621662842.db2.gz IMYWOHPIMSBRNC-BLLLJJGKSA-N 0 0 320.408 3.116 20 10 DGCDRN C[C@@H]([NH2+]CCc1cnc(C2CC2)nc1)c1ccc(F)cc1[O-] ZINC000756770472 621663533 /nfs/dbraw/zinc/66/35/33/621663533.db2.gz XPCPNIAJPKYQIF-LLVKDONJSA-N 0 0 301.365 3.092 20 10 DGCDRN C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cc(F)cc(F)c1[O-] ZINC000756786225 621664333 /nfs/dbraw/zinc/66/43/33/621664333.db2.gz ZHNQEVXDWYBWHF-JTQLQIEISA-N 0 0 322.311 3.472 20 10 DGCDRN CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1(C)C ZINC000756788830 621664752 /nfs/dbraw/zinc/66/47/52/621664752.db2.gz DBHIUPVRDSPCRE-KTJYFRGRSA-N 0 0 308.378 3.011 20 10 DGCDRN C[C@@H]([NH2+]CCc1cnccn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756788927 621664811 /nfs/dbraw/zinc/66/48/11/621664811.db2.gz ZDSUPVLVKPWLEK-SECBINFHSA-N 0 0 312.200 3.382 20 10 DGCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2ccccc2OC)c1 ZINC000756790616 621664836 /nfs/dbraw/zinc/66/48/36/621664836.db2.gz PLSHLWOSPAFCNK-LLVKDONJSA-N 0 0 301.342 3.361 20 10 DGCDRN C[C@@H](Nc1ccc(N(C)CCO)cn1)c1cc(Cl)ccc1O ZINC000756846600 621667993 /nfs/dbraw/zinc/66/79/93/621667993.db2.gz VQKBFNZKAHHPLH-LLVKDONJSA-N 0 0 321.808 3.042 20 10 DGCDRN COc1ccc(O)c([C@H](C)Nc2cccc3c2oc(=O)n3C)c1 ZINC000756855632 621668674 /nfs/dbraw/zinc/66/86/74/621668674.db2.gz LSUSZPUAIVBVEB-JTQLQIEISA-N 0 0 314.341 3.019 20 10 DGCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2cc(F)ccc2OC)c1 ZINC000756857700 621669158 /nfs/dbraw/zinc/66/91/58/621669158.db2.gz QBJVOWVXWDITIC-SNVBAGLBSA-N 0 0 319.332 3.500 20 10 DGCDRN C[C@H](Nc1cnn(-c2ccccn2)c1)c1cc(F)cc(F)c1O ZINC000756858249 621669406 /nfs/dbraw/zinc/66/94/06/621669406.db2.gz SMUQOHCNQQGKFY-JTQLQIEISA-N 0 0 316.311 3.424 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c1[O-] ZINC000756900528 621671306 /nfs/dbraw/zinc/67/13/06/621671306.db2.gz FKTDVKQLVXLGOT-WBMJQRKESA-N 0 0 323.820 3.249 20 10 DGCDRN Cc1cc(C[NH+]2[C@@H](C)CC(C(=O)[O-])C[C@@H]2C)ccc1N(C)C ZINC000863476393 621676689 /nfs/dbraw/zinc/67/66/89/621676689.db2.gz COEWTUNMBQDZDN-KBPBESRZSA-N 0 0 304.434 3.135 20 10 DGCDRN CC[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000756985566 621677471 /nfs/dbraw/zinc/67/74/71/621677471.db2.gz HLGJUPLCTBHZRH-UKRRQHHQSA-N 0 0 307.413 3.270 20 10 DGCDRN CCCOC(=O)[C@H](C)N(Cc1ccco1)Cc1ccccc1O ZINC000119484825 621678698 /nfs/dbraw/zinc/67/86/98/621678698.db2.gz DFNAUYIUGVTZBA-AWEZNQCLSA-N 0 0 317.385 3.329 20 10 DGCDRN CN(Cc1cc(Cl)c2c(c1)OCCO2)c1ccc(N)cc1 ZINC000863557784 621683467 /nfs/dbraw/zinc/68/34/67/621683467.db2.gz UVSHUOYVDOMBIB-UHFFFAOYSA-N 0 0 304.777 3.330 20 10 DGCDRN Cc1ccc([C@H](C)NC(=O)CN(C)c2ccc(N)cc2)cc1C ZINC000863557497 621683549 /nfs/dbraw/zinc/68/35/49/621683549.db2.gz PMFNTEMCQXOBPP-HNNXBMFYSA-N 0 0 311.429 3.199 20 10 DGCDRN Cc1ccc(C(=O)OCc2nc3cc(F)ccc3o2)c(O)c1O ZINC000757061417 621683714 /nfs/dbraw/zinc/68/37/14/621683714.db2.gz LWXRBDFZQORSJC-UHFFFAOYSA-N 0 0 317.272 3.044 20 10 DGCDRN Cc1ccc(N(CC2CC2)C(=O)/C=C/c2cnn(C)c2)cc1F ZINC000863598422 621686711 /nfs/dbraw/zinc/68/67/11/621686711.db2.gz SZKZVSBMYPCTMJ-SOFGYWHQSA-N 0 0 313.376 3.324 20 10 DGCDRN COc1cc2c(c(OC)c1)N(C[C@H]1CCO[C@H](C)C1)CCC2 ZINC000839656409 621704397 /nfs/dbraw/zinc/70/43/97/621704397.db2.gz KFJXJHAVPAAOPP-KGLIPLIRSA-N 0 0 305.418 3.272 20 10 DGCDRN COc1cc2c(c(OC)c1)N(CCCn1ccnc1C)CCC2 ZINC000839654801 621704455 /nfs/dbraw/zinc/70/44/55/621704455.db2.gz AKJZDXOHPAFGAF-UHFFFAOYSA-N 0 0 315.417 3.052 20 10 DGCDRN Oc1ccc2c(c1CNc1ncnc3ncccc31)CCCC2 ZINC000119655238 621711965 /nfs/dbraw/zinc/71/19/65/621711965.db2.gz GAYAKKOJCIKCKO-UHFFFAOYSA-N 0 0 306.369 3.221 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3cc[nH]c3c2)c1 ZINC000103529744 621712143 /nfs/dbraw/zinc/71/21/43/621712143.db2.gz KVTRBIQVKXWRFD-LLVKDONJSA-N 0 0 310.353 3.373 20 10 DGCDRN COc1cccnc1CNC(=S)Nc1cccc(C)c1C ZINC000840825677 621712701 /nfs/dbraw/zinc/71/27/01/621712701.db2.gz JAJDWLLHGXTHQG-UHFFFAOYSA-N 0 0 301.415 3.194 20 10 DGCDRN COC(=O)c1ccc(CNc2ccc3c(c2)ncn3C)c(F)c1 ZINC000864016000 621727385 /nfs/dbraw/zinc/72/73/85/621727385.db2.gz HVKHTJTXZPQZGS-UHFFFAOYSA-N 0 0 313.332 3.111 20 10 DGCDRN CN=[S@](C)(=O)c1cccc(NCc2cc(OC)ccc2O)c1 ZINC000864014615 621727527 /nfs/dbraw/zinc/72/75/27/621727527.db2.gz TZKNNANRZDEERJ-JOCHJYFZSA-N 0 0 320.414 3.099 20 10 DGCDRN Cc1ccc(O)c([C@@H](C)Nc2cccc([C@@H]3CNC(=O)C3)c2)c1 ZINC000757619536 621729078 /nfs/dbraw/zinc/72/90/78/621729078.db2.gz QMSVZYHBAAQLLK-HIFRSBDPSA-N 0 0 310.397 3.477 20 10 DGCDRN C[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000757655913 621731112 /nfs/dbraw/zinc/73/11/12/621731112.db2.gz LORGIXKDKYDVAI-VGMNWLOBSA-N 0 0 320.202 3.104 20 10 DGCDRN C[C@H](O)C[C@H](C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000757655901 621731207 /nfs/dbraw/zinc/73/12/07/621731207.db2.gz LORGIXKDKYDVAI-CIUDSAMLSA-N 0 0 320.202 3.104 20 10 DGCDRN CN(C)c1ccc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000757701566 621734603 /nfs/dbraw/zinc/73/46/03/621734603.db2.gz IMULHAYNIWVTKH-UHFFFAOYSA-N 0 0 311.345 3.149 20 10 DGCDRN CCCCC[C@H](C)NC(=O)CN(C)c1ccc(OC)c(F)c1 ZINC000757850970 621743019 /nfs/dbraw/zinc/74/30/19/621743019.db2.gz ANESGBHTNUFXIB-ZDUSSCGKSA-N 0 0 310.413 3.356 20 10 DGCDRN CCc1c(NC(=O)NCc2ccccc2O)cnn1CC(C)C ZINC000757904073 621745783 /nfs/dbraw/zinc/74/57/83/621745783.db2.gz DWKMTNQHLFCDJF-UHFFFAOYSA-N 0 0 316.405 3.129 20 10 DGCDRN Cc1ccc(O[C@H](C)C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000015134778 621767589 /nfs/dbraw/zinc/76/75/89/621767589.db2.gz ZFQAPGPUXMIDDA-OAHLLOKOSA-N 0 0 312.413 3.145 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CC[C@H](c3ccccc3)C2)cc1 ZINC000120054513 621768516 /nfs/dbraw/zinc/76/85/16/621768516.db2.gz NTUASALZQPVRFI-SFHVURJKSA-N 0 0 323.440 3.452 20 10 DGCDRN Cc1cnc(NC(=O)NCc2ccc3c(c2)CCCN3C)s1 ZINC000120078202 621770513 /nfs/dbraw/zinc/77/05/13/621770513.db2.gz LVBHRHBDIOEIFQ-UHFFFAOYSA-N 0 0 316.430 3.156 20 10 DGCDRN Oc1cc2c(cc1CNc1cccc(OC(F)F)c1)OCO2 ZINC000120133216 621790229 /nfs/dbraw/zinc/79/02/29/621790229.db2.gz DNWFUIAMTXQXEM-UHFFFAOYSA-N 0 0 309.268 3.334 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CC1CSC1 ZINC000864636902 621795070 /nfs/dbraw/zinc/79/50/70/621795070.db2.gz BDPHINZQMRYSBO-UHFFFAOYSA-N 0 0 318.486 3.388 20 10 DGCDRN C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccncc1 ZINC000864786347 621813345 /nfs/dbraw/zinc/81/33/45/621813345.db2.gz RZHABAIBAAPBSW-HNNXBMFYSA-N 0 0 323.440 3.442 20 10 DGCDRN CCCCCS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000759004832 621818314 /nfs/dbraw/zinc/81/83/14/621818314.db2.gz RJASIISMCIQQDZ-UHFFFAOYSA-N 0 0 324.490 3.237 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C/c1nc(Cl)cs1 ZINC000759074988 621823309 /nfs/dbraw/zinc/82/33/09/621823309.db2.gz JCZYFVBWABVKHS-SOFGYWHQSA-N 0 0 313.835 3.253 20 10 DGCDRN Cc1cc(F)ncc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000864863935 621824073 /nfs/dbraw/zinc/82/40/73/621824073.db2.gz RUJRZPSOSPEKQN-UHFFFAOYSA-N 0 0 313.376 3.059 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000864949035 621835558 /nfs/dbraw/zinc/83/55/58/621835558.db2.gz FQQBWSMWJAPWHE-IIDMSEBBSA-N 0 0 318.461 3.303 20 10 DGCDRN COc1ccc(N(C)Cc2c(C)nc3ccccn32)cc1OC ZINC000759330525 621846729 /nfs/dbraw/zinc/84/67/29/621846729.db2.gz MZNNNPCDEBUABJ-UHFFFAOYSA-N 0 0 311.385 3.296 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C(C)(C)[C@H]2CCCCO2)cc1F ZINC000865050620 621852551 /nfs/dbraw/zinc/85/25/51/621852551.db2.gz FCSHPBDAGKAGOC-MRXNPFEDSA-N 0 0 322.424 3.103 20 10 DGCDRN CSc1cc(C(=O)NCc2ccc3c(c2)CCCN3C)co1 ZINC000865054769 621853368 /nfs/dbraw/zinc/85/33/68/621853368.db2.gz VBZHYVNVWJRJLN-UHFFFAOYSA-N 0 0 316.426 3.314 20 10 DGCDRN CC(C)[C@@H]1CCCN1C(=O)NCCCSc1nccs1 ZINC000759591620 621873525 /nfs/dbraw/zinc/87/35/25/621873525.db2.gz YHKRKMDQWQDLOU-LBPRGKRZSA-N 0 0 313.492 3.455 20 10 DGCDRN CC(C)(C)c1cnc(COC(=O)/C=C\c2ccc(O)c(O)c2)o1 ZINC000759590837 621873583 /nfs/dbraw/zinc/87/35/83/621873583.db2.gz ATYFHGGKRZRLSP-ALCCZGGFSA-N 0 0 317.341 3.140 20 10 DGCDRN CCc1ccc(CCOC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000759592333 621873828 /nfs/dbraw/zinc/87/38/28/621873828.db2.gz FXKFVVGLJNQJJJ-NTMALXAHSA-N 0 0 312.365 3.459 20 10 DGCDRN CCN(CC)c1ccc(CN(C)CC(=O)N[C@@H](C)C(C)C)cc1 ZINC000759643066 621878532 /nfs/dbraw/zinc/87/85/32/621878532.db2.gz KRJIBCSJUICIML-INIZCTEOSA-N 0 0 319.493 3.125 20 10 DGCDRN Oc1cccc2c1CN(C(=S)NCCCCC(F)(F)F)C2 ZINC000865259114 621883216 /nfs/dbraw/zinc/88/32/16/621883216.db2.gz ZIBAHEYVZZMVDD-UHFFFAOYSA-N 0 0 318.364 3.315 20 10 DGCDRN Cc1cc(C(=O)OCCOCC(C)C)c(C)n1-c1ccccn1 ZINC000759722191 621886162 /nfs/dbraw/zinc/88/61/62/621886162.db2.gz IRMIIVCOLJZORA-UHFFFAOYSA-N 0 0 316.401 3.319 20 10 DGCDRN Oc1cccc(Br)c1CNc1nc(C2CC2)no1 ZINC000865290208 621890688 /nfs/dbraw/zinc/89/06/88/621890688.db2.gz ARPIJVQEIWPLPC-UHFFFAOYSA-N 0 0 310.151 3.027 20 10 DGCDRN C[C@@H]1C[C@H]1c1nnc(NCc2c(O)cccc2Br)o1 ZINC000865294606 621891804 /nfs/dbraw/zinc/89/18/04/621891804.db2.gz PYPFNJYMRXXDOU-HTQZYQBOSA-N 0 0 324.178 3.273 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1nnc([C@H]2CCCO2)s1 ZINC000865295880 621892509 /nfs/dbraw/zinc/89/25/09/621892509.db2.gz OHXFZNJUULRYLD-CQSZACIVSA-N 0 0 318.446 3.376 20 10 DGCDRN CCCC1(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000760384147 621937363 /nfs/dbraw/zinc/93/73/63/621937363.db2.gz LCAMKDZCQFNXBD-UHFFFAOYSA-N 0 0 318.486 3.436 20 10 DGCDRN COC(=O)[C@@H](NCc1cc(Cl)ccc1O)c1cccs1 ZINC000789571185 625526321 /nfs/dbraw/zinc/52/63/21/625526321.db2.gz IZYMIYVYKCUWAT-ZDUSSCGKSA-N 0 0 311.790 3.111 20 10 DGCDRN CCCC1(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000760495057 621945436 /nfs/dbraw/zinc/94/54/36/621945436.db2.gz SJQWGYIJJMBPSI-UHFFFAOYSA-N 0 0 316.445 3.361 20 10 DGCDRN COC(=O)[C@H](NCc1cc(Cl)ccc1O)c1cccs1 ZINC000789571184 625526607 /nfs/dbraw/zinc/52/66/07/625526607.db2.gz IZYMIYVYKCUWAT-CYBMUJFWSA-N 0 0 311.790 3.111 20 10 DGCDRN COC(=O)[C@@H](NCc1ccc(OC)c(C)c1)c1cccs1 ZINC000789573668 625527102 /nfs/dbraw/zinc/52/71/02/625527102.db2.gz YRNAZQNCIGQYGQ-HNNXBMFYSA-N 0 0 305.399 3.069 20 10 DGCDRN CCCCCCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000760921277 621973919 /nfs/dbraw/zinc/97/39/19/621973919.db2.gz RAVFQEIGRLGPQL-UHFFFAOYSA-N 0 0 324.808 3.390 20 10 DGCDRN C[C@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)CC1(C)OCCO1 ZINC000865674802 621976226 /nfs/dbraw/zinc/97/62/26/621976226.db2.gz ZPMCKFCXTBDOOV-JTQLQIEISA-N 0 0 317.788 3.064 20 10 DGCDRN Cn1cc(/C=C/C(=O)N2CC(C)(C)Sc3ccccc32)cn1 ZINC000120706281 621981743 /nfs/dbraw/zinc/98/17/43/621981743.db2.gz SHKFWINWJSYXBF-CMDGGOBGSA-N 0 0 313.426 3.351 20 10 DGCDRN COc1ccc(N(Cc2cn(C)nn2)Cc2cccs2)cc1 ZINC000761677454 622024033 /nfs/dbraw/zinc/02/40/33/622024033.db2.gz YLFMDYYYZYYHTH-UHFFFAOYSA-N 0 0 314.414 3.092 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCC(CCF)CC2)cc1 ZINC000866065326 622040562 /nfs/dbraw/zinc/04/05/62/622040562.db2.gz LDWXTCHQOJBFPG-UHFFFAOYSA-N 0 0 307.413 3.034 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc3ccsc3[nH]2)c1 ZINC000761982469 622043205 /nfs/dbraw/zinc/04/32/05/622043205.db2.gz LSNYKVQUCYJFIR-VIFPVBQESA-N 0 0 316.382 3.435 20 10 DGCDRN Cc1cc(C(=O)OC[C@H]2CCSC2)c(C)n1-c1ccccn1 ZINC000762149553 622057688 /nfs/dbraw/zinc/05/76/88/622057688.db2.gz OZDBFICGSHUJCM-CQSZACIVSA-N 0 0 316.426 3.399 20 10 DGCDRN Cc1cncnc1-c1noc(-c2ccc(-n3cccc3)cc2)n1 ZINC000762177265 622060525 /nfs/dbraw/zinc/06/05/25/622060525.db2.gz HAWLHVNMWKFSQT-UHFFFAOYSA-N 0 0 303.325 3.293 20 10 DGCDRN Oc1c(Br)cccc1CNc1cc2c(nn1)CCC2 ZINC000762658157 622089987 /nfs/dbraw/zinc/08/99/87/622089987.db2.gz NTYFLIGFGSGZHG-UHFFFAOYSA-N 0 0 320.190 3.046 20 10 DGCDRN COc1ccc(N2CCN(C(=O)C(F)=C3CCCC3)CC2)cc1 ZINC000763015265 622116488 /nfs/dbraw/zinc/11/64/88/622116488.db2.gz YENSUGUXENWNDJ-UHFFFAOYSA-N 0 0 318.392 3.141 20 10 DGCDRN CC[C@H]([NH2+]C[C@H](C)CC1(C)OCCO1)c1ccc(F)cc1[O-] ZINC000866427303 622116660 /nfs/dbraw/zinc/11/66/60/622116660.db2.gz KAQTZHVDIZMTEK-DOMZBBRYSA-N 0 0 311.397 3.361 20 10 DGCDRN C[C@H]([NH2+]CC[C@@H](O)C(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000866442678 622119212 /nfs/dbraw/zinc/11/92/12/622119212.db2.gz QKJZWDRGRRXDRU-QUBYGPBYSA-N 0 0 314.159 3.366 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)c2cnc(C)s2)c1 ZINC000866454867 622121234 /nfs/dbraw/zinc/12/12/34/622121234.db2.gz HKQYJBIYJXJUQC-ZJUUUORDSA-N 0 0 320.414 3.356 20 10 DGCDRN C[C@@H]([NH2+]Cc1cccc2c1CCOC2)c1ccc(F)cc1[O-] ZINC000866478374 622124482 /nfs/dbraw/zinc/12/44/82/622124482.db2.gz HXJKOXLDXOZEKP-GFCCVEGCSA-N 0 0 301.361 3.455 20 10 DGCDRN CCOc1cccc(NC(=S)NCc2ccc(F)cn2)c1 ZINC000763167618 622127723 /nfs/dbraw/zinc/12/77/23/622127723.db2.gz SUFZHRQBLQPWDH-UHFFFAOYSA-N 0 0 305.378 3.106 20 10 DGCDRN Cn1ccc(/C=C2\SC(=S)N(Cc3cccs3)C2=O)c1 ZINC000763284322 622135443 /nfs/dbraw/zinc/13/54/43/622135443.db2.gz UBYRRCLTZNBIQK-GHXNOFRVSA-N 0 0 320.464 3.488 20 10 DGCDRN O=C(CC1CSC1)N(Cc1ccco1)Cc1ccccc1O ZINC000866595775 622144097 /nfs/dbraw/zinc/14/40/97/622144097.db2.gz LUHCHIPELLKYIU-UHFFFAOYSA-N 0 0 317.410 3.267 20 10 DGCDRN C[C@@H]([NH2+]C1([C@@H]2CCCCO2)CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866622593 622149082 /nfs/dbraw/zinc/14/90/82/622149082.db2.gz HKNAVWNSQNHZHL-WBMJQRKESA-N 0 0 320.389 3.443 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCC(F)(F)C1 ZINC000763587633 622153828 /nfs/dbraw/zinc/15/38/28/622153828.db2.gz DQDXKIFYDKSEAE-AWEZNQCLSA-N 0 0 323.387 3.274 20 10 DGCDRN C[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)c1ccncc1 ZINC000866770730 622162955 /nfs/dbraw/zinc/16/29/55/622162955.db2.gz CPWZCCMTGKFFGA-CYBMUJFWSA-N 0 0 310.397 3.086 20 10 DGCDRN COc1ccc(N(C)CC(=O)N2CCCCCC2)cc1Cl ZINC000121879625 622187845 /nfs/dbraw/zinc/18/78/45/622187845.db2.gz KCJNBJAFXJUHNA-UHFFFAOYSA-N 0 0 310.825 3.187 20 10 DGCDRN CC[C@@H]([NH2+]CCCNc1ncccn1)c1cccc(Cl)c1[O-] ZINC000806143629 622190157 /nfs/dbraw/zinc/19/01/57/622190157.db2.gz LTBIPQSEYMQJIM-CQSZACIVSA-N 0 0 320.824 3.379 20 10 DGCDRN C[C@H](NC(=O)[C@@H]1CC(=O)c2ccccc21)c1ccc(N(C)C)cc1 ZINC000789665182 625547158 /nfs/dbraw/zinc/54/71/58/625547158.db2.gz BABPTTDTBJSSCK-SCLBCKFNSA-N 0 0 322.408 3.300 20 10 DGCDRN Nc1ccc(CC(=O)NC[C@@H]2CC=CC[C@H]2C(F)(F)F)cc1 ZINC000867994344 622202571 /nfs/dbraw/zinc/20/25/71/622202571.db2.gz MQJHRQQMHLULBV-GXTWGEPZSA-N 0 0 312.335 3.072 20 10 DGCDRN COc1cccc(CCNC(=O)N[C@H](C)c2ccccc2O)c1 ZINC000868055722 622209295 /nfs/dbraw/zinc/20/92/95/622209295.db2.gz DLQHKZFGKVZOKC-CYBMUJFWSA-N 0 0 314.385 3.004 20 10 DGCDRN C[C@H](NC(=O)NCCSC(F)(F)F)c1ccccc1O ZINC000868108532 622214745 /nfs/dbraw/zinc/21/47/45/622214745.db2.gz MFTYZSZGPZCVLA-QMMMGPOBSA-N 0 0 308.325 3.005 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCCC12CC2 ZINC000868113400 622215385 /nfs/dbraw/zinc/21/53/85/622215385.db2.gz YQFOCWAXOLBSFI-QGZVFWFLSA-N 0 0 313.445 3.419 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H](C)Cc1ccsc1)c1ccccc1O ZINC000868127191 622216496 /nfs/dbraw/zinc/21/64/96/622216496.db2.gz ZLPXODAROSYODK-NWDGAFQWSA-N 0 0 304.415 3.445 20 10 DGCDRN Cc1csc([C@@H](C)NC(=O)N[C@H](C)c2ccccc2O)n1 ZINC000868205348 622225894 /nfs/dbraw/zinc/22/58/94/622225894.db2.gz YSWQFBPIBOBTHU-GHMZBOCLSA-N 0 0 305.403 3.279 20 10 DGCDRN Cc1noc(C)c1[C@@H](C)NC(=O)N[C@H](C)c1ccccc1O ZINC000868251818 622228699 /nfs/dbraw/zinc/22/86/99/622228699.db2.gz AUQBBTMXEGSAMZ-NXEZZACHSA-N 0 0 303.362 3.118 20 10 DGCDRN CC(C)(C)OC(=O)c1ccc(C=C2SC(=S)NC2=O)cc1 ZINC000764888932 622230472 /nfs/dbraw/zinc/23/04/72/622230472.db2.gz OKWSNSNFGBAKKK-DHZHZOJOSA-N 0 0 321.423 3.131 20 10 DGCDRN CCc1cc(C)nc(NCc2cccc(Br)c2O)n1 ZINC000764935610 622233772 /nfs/dbraw/zinc/23/37/72/622233772.db2.gz ZWMXCZLQDHTHMX-UHFFFAOYSA-N 0 0 322.206 3.428 20 10 DGCDRN O=c1cc(CSc2ncc(Cl)s2)nc2ccccn12 ZINC000764999532 622238710 /nfs/dbraw/zinc/23/87/10/622238710.db2.gz BRAPWHPHYXBWRJ-UHFFFAOYSA-N 0 0 309.803 3.097 20 10 DGCDRN Cn1c(=O)c2ccsc2nc1Sc1ncc(Cl)s1 ZINC000765002118 622239093 /nfs/dbraw/zinc/23/90/93/622239093.db2.gz VZJILUBMYPXYND-UHFFFAOYSA-N 0 0 315.832 3.256 20 10 DGCDRN C[C@@H](NC(=O)NCC(C)(C)[C@H]1CCCCO1)c1ccccc1O ZINC000868397988 622240302 /nfs/dbraw/zinc/24/03/02/622240302.db2.gz HHIQKHQUXYGRKR-CZUORRHYSA-N 0 0 320.433 3.348 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCC(=O)C[C@H]1c1ccccc1 ZINC000868499262 622250976 /nfs/dbraw/zinc/25/09/76/622250976.db2.gz IMIJHTVCWOUHSL-AWEZNQCLSA-N 0 0 301.367 3.000 20 10 DGCDRN Cc1cc(Cl)nc(CNC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000868580824 622259912 /nfs/dbraw/zinc/25/99/12/622259912.db2.gz HOCROONGIYBFPL-NSHDSACASA-N 0 0 319.792 3.309 20 10 DGCDRN Cc1cccc(CCCNC(=O)N[C@H](C)c2ccccc2O)n1 ZINC000868598252 622262693 /nfs/dbraw/zinc/26/26/93/622262693.db2.gz DKTLZBQBBIMJQI-CQSZACIVSA-N 0 0 313.401 3.089 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1c2ccccc2O[C@@H]1C)c1ccccc1O ZINC000868617240 622264407 /nfs/dbraw/zinc/26/44/07/622264407.db2.gz ABRYQBFRDBEBNI-XWCIJXRUSA-N 0 0 312.369 3.275 20 10 DGCDRN C[C@H](NC(=O)NC[C@H]1CCOC2(CCC2)C1)c1ccccc1O ZINC000868668709 622270902 /nfs/dbraw/zinc/27/09/02/622270902.db2.gz PLPXNCNXFSVYHK-KBPBESRZSA-N 0 0 318.417 3.102 20 10 DGCDRN C[C@@H](NC(=O)NCC[C@]1(C)C[C@]1(F)Cl)c1ccccc1O ZINC000868742851 622279643 /nfs/dbraw/zinc/27/96/43/622279643.db2.gz DSSMXMDXTMCUMU-VCTAVGKDSA-N 0 0 314.788 3.457 20 10 DGCDRN CO[C@@H](CNC(=O)N[C@H](C)c1ccccc1O)C1CCCCC1 ZINC000868788804 622285471 /nfs/dbraw/zinc/28/54/71/622285471.db2.gz XVGSFCFWTKRBCW-DYVFJYSZSA-N 0 0 320.433 3.348 20 10 DGCDRN O=C(NCc1cccc(Br)c1O)c1cccs1 ZINC000765767065 622285867 /nfs/dbraw/zinc/28/58/67/622285867.db2.gz ZCHQGWICPULSLG-UHFFFAOYSA-N 0 0 312.188 3.146 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCC[C@@H]2CCCS2)c1 ZINC000868977313 622305707 /nfs/dbraw/zinc/30/57/07/622305707.db2.gz ORPBVRSUZWNUHV-AAEUAGOBSA-N 0 0 324.446 3.047 20 10 DGCDRN COc1ccc2c(c1)CCCN2CN1C(=O)C[C@H]1c1ccccc1 ZINC000766341923 622323166 /nfs/dbraw/zinc/32/31/66/622323166.db2.gz USLZAPDZZLTVSW-IBGZPJMESA-N 0 0 322.408 3.379 20 10 DGCDRN O=C1CC2(CCC2)N1CN1CCCc2cc(OC(F)F)ccc21 ZINC000766351426 622323698 /nfs/dbraw/zinc/32/36/98/622323698.db2.gz MCXYHLQTJFAUBW-UHFFFAOYSA-N 0 0 322.355 3.153 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCOC[C@@H]1C ZINC000766392096 622326205 /nfs/dbraw/zinc/32/62/05/622326205.db2.gz GPQYEXOPJCXXMW-MAUKXSAKSA-N 0 0 318.461 3.162 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](C)[C@H](C)C1 ZINC000766800479 622353529 /nfs/dbraw/zinc/35/35/29/622353529.db2.gz MWLVYQXKTLVQTG-DZGCQCFKSA-N 0 0 303.450 3.249 20 10 DGCDRN Cc1c(CN2CCCc3cc(OC(F)F)ccc32)cnn1C ZINC000766860971 622357488 /nfs/dbraw/zinc/35/74/88/622357488.db2.gz NVJJMENBYWIQDP-UHFFFAOYSA-N 0 0 307.344 3.283 20 10 DGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1c[nH]nc1C1CC1 ZINC000789748233 625561142 /nfs/dbraw/zinc/56/11/42/625561142.db2.gz OHNAMEVXKWWGOI-UHFFFAOYSA-N 0 0 324.428 3.207 20 10 DGCDRN Cn1[nH]cnc1=NCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000767294618 622388134 /nfs/dbraw/zinc/38/81/34/622388134.db2.gz FJWVAFCATGMLOJ-UHFFFAOYSA-N 0 0 316.449 3.150 20 10 DGCDRN CC[C@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000122840386 622415669 /nfs/dbraw/zinc/41/56/69/622415669.db2.gz RSBAVBBDWMEUEB-AWEZNQCLSA-N 0 0 301.434 3.011 20 10 DGCDRN COc1cccc(O)c1CN(C)Cc1cnn(-c2ccccc2)c1 ZINC000768209022 622445674 /nfs/dbraw/zinc/44/56/74/622445674.db2.gz XDRIXWORGLKFNP-UHFFFAOYSA-N 0 0 323.396 3.219 20 10 DGCDRN O=[N+]([O-])c1cc(CN2CCSCC2)ccc1N1CCCCC1 ZINC000768237376 622447271 /nfs/dbraw/zinc/44/72/71/622447271.db2.gz QCLFEKPOCFCTFY-UHFFFAOYSA-N 0 0 321.446 3.134 20 10 DGCDRN CC(C)(C)CC(=O)N1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000768252275 622447703 /nfs/dbraw/zinc/44/77/03/622447703.db2.gz HYRIQRITMIJSIN-UHFFFAOYSA-N 0 0 324.852 3.126 20 10 DGCDRN CN1c2ccccc2C(=O)N[C@@H]1c1cc(Cl)cc(F)c1O ZINC000768265335 622447981 /nfs/dbraw/zinc/44/79/81/622447981.db2.gz CJNWGHCUQKMMMT-AWEZNQCLSA-N 0 0 306.724 3.063 20 10 DGCDRN CN(C)c1ccc(CN(C)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000768336053 622450428 /nfs/dbraw/zinc/45/04/28/622450428.db2.gz GQRNKEIARCIHSD-UHFFFAOYSA-N 0 0 317.364 3.432 20 10 DGCDRN COc1cccc(O)c1CN1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000768426179 622455670 /nfs/dbraw/zinc/45/56/70/622455670.db2.gz PPAIWUJRXFNWEK-GOSISDBHSA-N 0 0 317.360 3.113 20 10 DGCDRN CCc1nc(CN(C)Cc2cc(OC)c(OC)cc2O)cs1 ZINC000768440971 622456393 /nfs/dbraw/zinc/45/63/93/622456393.db2.gz BXBVJDLGZBVHTD-UHFFFAOYSA-N 0 0 322.430 3.060 20 10 DGCDRN Oc1cc2c(cc1CN1CCO[C@@H](C(F)(F)F)C1)CCCC2 ZINC000768445187 622457146 /nfs/dbraw/zinc/45/71/46/622457146.db2.gz GIVILXITQCRGFA-OAHLLOKOSA-N 0 0 315.335 3.034 20 10 DGCDRN C[C@H]1Cc2ccccc2N(Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768463284 622457977 /nfs/dbraw/zinc/45/79/77/622457977.db2.gz QZQPLHXKPVMWBL-KPZWWZAWSA-N 0 0 311.381 3.017 20 10 DGCDRN COc1cc(O)c(CN2CC[C@@H]2c2cccc(F)c2)cc1OC ZINC000768465284 622458315 /nfs/dbraw/zinc/45/83/15/622458315.db2.gz FIMCXVQQXVSVHD-OAHLLOKOSA-N 0 0 317.360 3.496 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCC(C)(C)C2)c1 ZINC000768765680 622475500 /nfs/dbraw/zinc/47/55/00/622475500.db2.gz FTOXGGKOBUSMGO-NWDGAFQWSA-N 0 0 306.406 3.340 20 10 DGCDRN O=C(CCc1ccc(Cl)cc1)NCCc1ccc(O)c(O)c1 ZINC000768899733 622484466 /nfs/dbraw/zinc/48/44/66/622484466.db2.gz OKWYGKKCCMPZTA-UHFFFAOYSA-N 0 0 319.788 3.043 20 10 DGCDRN CCOc1ccc(O)c(CNc2ccccc2OCCOC)c1 ZINC000123206064 622486896 /nfs/dbraw/zinc/48/68/96/622486896.db2.gz YBLBNIXPUYUIIL-UHFFFAOYSA-N 0 0 317.385 3.428 20 10 DGCDRN CCOc1ccc(CN2CCO[C@@H](c3cccs3)C2)c(O)c1 ZINC000769146523 622502417 /nfs/dbraw/zinc/50/24/17/622502417.db2.gz IIRIGYFPKQBCNO-MRXNPFEDSA-N 0 0 319.426 3.426 20 10 DGCDRN COc1nn(C)cc1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000789862018 625572056 /nfs/dbraw/zinc/57/20/56/625572056.db2.gz SODJZWLKAOEDAO-UHFFFAOYSA-N 0 0 324.384 3.089 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000769250133 622511257 /nfs/dbraw/zinc/51/12/57/622511257.db2.gz JJVCELUCWFGDNL-ZDUSSCGKSA-N 0 0 302.399 3.170 20 10 DGCDRN CCSc1ccccc1C(=O)N1CCS[C@H]2COCC[C@H]21 ZINC000769343917 622519689 /nfs/dbraw/zinc/51/96/89/622519689.db2.gz MBVHIGSHVFPAED-HIFRSBDPSA-N 0 0 323.483 3.145 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)[C@H](F)c2ccccc2)cc1 ZINC000769354704 622519999 /nfs/dbraw/zinc/51/99/99/622519999.db2.gz NNAXHGJBUSLOIB-QGZVFWFLSA-N 0 0 300.377 3.422 20 10 DGCDRN COC(=O)c1ccc2c(c1)CN(Cc1c(O)cccc1Cl)C2 ZINC000769371890 622521558 /nfs/dbraw/zinc/52/15/58/622521558.db2.gz UUJSHAPEUKVEPA-UHFFFAOYSA-N 0 0 317.772 3.348 20 10 DGCDRN CN(C)c1ccc(CN2CCC[C@@H]2C(=O)OC(C)(C)C)cc1 ZINC000769500350 622534641 /nfs/dbraw/zinc/53/46/41/622534641.db2.gz XNEMTEWYTHSQPI-MRXNPFEDSA-N 0 0 304.434 3.059 20 10 DGCDRN Cc1cccc(NC(=O)NCCCSc2nccs2)n1 ZINC000123494612 622551717 /nfs/dbraw/zinc/55/17/17/622551717.db2.gz ZUYAZNFKOICNIH-UHFFFAOYSA-N 0 0 308.432 3.150 20 10 DGCDRN CC(C)c1ccccc1OCC(=O)N1Cc2cccc(O)c2C1 ZINC000871197786 622565500 /nfs/dbraw/zinc/56/55/00/622565500.db2.gz DPHQJEDHFZVKKG-UHFFFAOYSA-N 0 0 311.381 3.437 20 10 DGCDRN CC(C)(Oc1ccc(F)cc1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871198663 622565938 /nfs/dbraw/zinc/56/59/38/622565938.db2.gz MNZNXNRUWYPIGH-UHFFFAOYSA-N 0 0 315.344 3.231 20 10 DGCDRN CC(C)c1nn(C)c(Cl)c1C(=O)N1Cc2cccc(O)c2C1 ZINC000871202436 622566335 /nfs/dbraw/zinc/56/63/35/622566335.db2.gz HGTASZIHKOHZDC-UHFFFAOYSA-N 0 0 319.792 3.059 20 10 DGCDRN O=C([C@H]1SCCc2ccccc21)N1Cc2cccc(O)c2C1 ZINC000871203269 622567185 /nfs/dbraw/zinc/56/71/85/622567185.db2.gz VWHPOAPNNDCGQU-KRWDZBQOSA-N 0 0 311.406 3.265 20 10 DGCDRN O=C(N1Cc2cccc(O)c2C1)C1(Cc2ccccc2F)CC1 ZINC000871204670 622567953 /nfs/dbraw/zinc/56/79/53/622567953.db2.gz OKUQMIUOMFDZKV-UHFFFAOYSA-N 0 0 311.356 3.396 20 10 DGCDRN CC(C)[C@H]1C[C@@H](CC(=O)N2Cc3cccc(O)c3C2)CCO1 ZINC000871205061 622568073 /nfs/dbraw/zinc/56/80/73/622568073.db2.gz VBQXXHKDSBSWGG-SUMWQHHRSA-N 0 0 303.402 3.076 20 10 DGCDRN COc1ccc([C@@H](C)CC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871204278 622568075 /nfs/dbraw/zinc/56/80/75/622568075.db2.gz WZWMZFWUVOUBRX-ZDUSSCGKSA-N 0 0 311.381 3.437 20 10 DGCDRN COc1ccccc1[C@@H]1C[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871206067 622568233 /nfs/dbraw/zinc/56/82/33/622568233.db2.gz QJPFTDUSQVVOBB-LSDHHAIUSA-N 0 0 309.365 3.047 20 10 DGCDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccccc1O ZINC000770035730 622593405 /nfs/dbraw/zinc/59/34/05/622593405.db2.gz SEQLLEJBQZXXAU-UHFFFAOYSA-N 0 0 314.341 3.156 20 10 DGCDRN Cc1nc(C(=O)N(C)Cc2ccc(N(C)C)cc2)sc1C ZINC000770104679 622601312 /nfs/dbraw/zinc/60/13/12/622601312.db2.gz ZPRFXBLFGFMKLV-UHFFFAOYSA-N 0 0 303.431 3.098 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCO[C@H](C)C1 ZINC000770230502 622614700 /nfs/dbraw/zinc/61/47/00/622614700.db2.gz SGINKCAXXYEBQX-ZIAGYGMSSA-N 0 0 318.442 3.453 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCO[C@@H](C)C1 ZINC000770230499 622614983 /nfs/dbraw/zinc/61/49/83/622614983.db2.gz SGINKCAXXYEBQX-KBPBESRZSA-N 0 0 318.442 3.453 20 10 DGCDRN Cc1nc(C(=O)NCc2ccc3c(c2)CCCN3C)sc1C ZINC000770324143 622621110 /nfs/dbraw/zinc/62/11/10/622621110.db2.gz HXHOOJSVMSLCNW-UHFFFAOYSA-N 0 0 315.442 3.072 20 10 DGCDRN Cc1ccc(C(=O)OCc2ccc3ncccc3c2)c(O)c1O ZINC000770360380 622624974 /nfs/dbraw/zinc/62/49/74/622624974.db2.gz UAICNRYVLUGRDO-UHFFFAOYSA-N 0 0 309.321 3.311 20 10 DGCDRN COc1cccc(O)c1CNc1cc(OC)c(OC)cc1F ZINC000770411599 622631521 /nfs/dbraw/zinc/63/15/21/622631521.db2.gz FCEGJVWLJPDBFW-UHFFFAOYSA-N 0 0 307.321 3.169 20 10 DGCDRN CN(C)c1ccnc(NCc2ccc(N3CCCCC3)cc2)n1 ZINC000770455705 622635992 /nfs/dbraw/zinc/63/59/92/622635992.db2.gz QZPMHDBTFJURAD-UHFFFAOYSA-N 0 0 311.433 3.145 20 10 DGCDRN COc1cccc(O)c1CNc1ccc(OCC(C)(C)O)cc1 ZINC000770578615 622647932 /nfs/dbraw/zinc/64/79/32/622647932.db2.gz FASDABQCEAHEQM-UHFFFAOYSA-N 0 0 317.385 3.163 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CCCC(F)(F)F ZINC000770733606 622665232 /nfs/dbraw/zinc/66/52/32/622665232.db2.gz HCUWSCGETSPZPF-UHFFFAOYSA-N 0 0 302.340 3.410 20 10 DGCDRN CC(=O)c1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)o1 ZINC000770829768 622673581 /nfs/dbraw/zinc/67/35/81/622673581.db2.gz DGGMBRSSFINQIT-UHFFFAOYSA-N 0 0 312.369 3.012 20 10 DGCDRN O=C(c1c(F)ccc(O)c1O)N1CCC2(CCCCC2)CC1 ZINC000789974861 625589938 /nfs/dbraw/zinc/58/99/38/625589938.db2.gz VHWCMRITVFPKIR-UHFFFAOYSA-N 0 0 307.365 3.423 20 10 DGCDRN CCCOc1ccc(C[NH2+][C@@H](CCSC)C(=O)[O-])cc1C ZINC000871871441 622724539 /nfs/dbraw/zinc/72/45/39/622724539.db2.gz FAUQNERTOXEBDD-AWEZNQCLSA-N 0 0 311.447 3.080 20 10 DGCDRN CCCOc1ccc(C[NH2+][C@H](Cc2ccco2)C(=O)[O-])cc1C ZINC000871879104 622727021 /nfs/dbraw/zinc/72/70/21/622727021.db2.gz ZHOYFBNPILEROA-MRXNPFEDSA-N 0 0 317.385 3.162 20 10 DGCDRN Cc1ccc(/C=C/S(=O)(=O)Nc2ccc(O)c(C)c2)cc1 ZINC000771220588 622728540 /nfs/dbraw/zinc/72/85/40/622728540.db2.gz XYCQSHDFZJNDFJ-MDZDMXLPSA-N 0 0 303.383 3.422 20 10 DGCDRN COCCn1ccc2ccc(NC(=O)C3=CC(=O)CS3)cc21 ZINC000771409412 622755932 /nfs/dbraw/zinc/75/59/32/622755932.db2.gz NCUKORYRVJLBLM-UHFFFAOYSA-N 0 0 316.382 3.307 20 10 DGCDRN Cc1cc(C(=O)NCc2ncccn2)c(C)n1-c1cccc(C)c1 ZINC000771815159 622799609 /nfs/dbraw/zinc/79/96/09/622799609.db2.gz JWXIEGAQEAKADD-UHFFFAOYSA-N 0 0 320.396 3.123 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(C(C)=O)o2)cc1 ZINC000772124177 622850968 /nfs/dbraw/zinc/85/09/68/622850968.db2.gz PZCKESXAGVDPIY-UHFFFAOYSA-N 0 0 314.385 3.258 20 10 DGCDRN CC(C)COc1ccccc1NC[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000872212465 622858894 /nfs/dbraw/zinc/85/88/94/622858894.db2.gz GXYSXVZUJZUNSW-MAUKXSAKSA-N 0 0 307.434 3.045 20 10 DGCDRN Cc1cncc(/C=C/C(=O)N2CCOc3c(Cl)cccc32)c1 ZINC000772168991 622860751 /nfs/dbraw/zinc/86/07/51/622860751.db2.gz KZVTXIOCANNFJN-AATRIKPKSA-N 0 0 314.772 3.482 20 10 DGCDRN Cc1cn2nc(N[C@H](C)c3ccc(N(C)C)cc3)sc2n1 ZINC000772302030 622882924 /nfs/dbraw/zinc/88/29/24/622882924.db2.gz ZPRMOGRQGDYVCA-LLVKDONJSA-N 0 0 301.419 3.338 20 10 DGCDRN Cc1c(F)ncnc1NCc1ccc(N2CCSCC2)cc1 ZINC000872415302 622910063 /nfs/dbraw/zinc/91/00/63/622910063.db2.gz GYXNBLNORJXOPX-UHFFFAOYSA-N 0 0 318.421 3.089 20 10 DGCDRN CC[C@H]([NH2+]C1CCC(C(N)=O)CC1)c1cccc(Cl)c1[O-] ZINC000806147223 622915163 /nfs/dbraw/zinc/91/51/63/622915163.db2.gz VJBWKUMHXSJNRJ-MGULZYLOSA-N 0 0 310.825 3.130 20 10 DGCDRN CCCCN(Cc1ccccc1O)c1cc(Cl)n[nH]c1=O ZINC000872536951 622930719 /nfs/dbraw/zinc/93/07/19/622930719.db2.gz NPAGLICNBMEZLA-UHFFFAOYSA-N 0 0 307.781 3.348 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2cc(F)c(F)cc2F)cc1 ZINC000124143079 622933742 /nfs/dbraw/zinc/93/37/42/622933742.db2.gz ZZEUGQYIUUQHSB-UHFFFAOYSA-N 0 0 322.330 3.442 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCc1cccc(F)c1F ZINC000772774777 622936793 /nfs/dbraw/zinc/93/67/93/622936793.db2.gz KTHMSGLEWBUHKJ-ALCCZGGFSA-N 0 0 306.264 3.133 20 10 DGCDRN CC1(C)CN(Cc2cc3c(cc2O)OCO3)[C@H]1c1ccco1 ZINC000872633532 622945761 /nfs/dbraw/zinc/94/57/61/622945761.db2.gz KLJRAAYYSONYKX-INIZCTEOSA-N 0 0 301.342 3.297 20 10 DGCDRN Cc1noc(C2CC2)c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000772996390 622962935 /nfs/dbraw/zinc/96/29/35/622962935.db2.gz DLVJAERHASUSGR-NSHDSACASA-N 0 0 313.401 3.417 20 10 DGCDRN CCc1ncc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000773007790 622964728 /nfs/dbraw/zinc/96/47/28/622964728.db2.gz KHZSIAQYSBDTOA-LLVKDONJSA-N 0 0 303.431 3.263 20 10 DGCDRN C[C@@H](NC(=O)[C@@H]1OCCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000773017638 622968004 /nfs/dbraw/zinc/96/80/04/622968004.db2.gz HYNBYIFNPYZVEU-AUUYWEPGSA-N 0 0 324.424 3.244 20 10 DGCDRN C[C@@H](NC(=O)c1cccc2nccnc21)c1ccc(N(C)C)cc1 ZINC000773017261 622968296 /nfs/dbraw/zinc/96/82/96/622968296.db2.gz VCGYLTHRVSUKQE-CYBMUJFWSA-N 0 0 320.396 3.187 20 10 DGCDRN C[C@@H](NC(=O)CCc1nccs1)c1ccc(N(C)C)cc1 ZINC000773022568 622968589 /nfs/dbraw/zinc/96/85/89/622968589.db2.gz VSXNFOGTGKWLFQ-GFCCVEGCSA-N 0 0 303.431 3.019 20 10 DGCDRN Cc1noc2ncc(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)cc12 ZINC000773021006 622969020 /nfs/dbraw/zinc/96/90/20/622969020.db2.gz QGDQDLMKKSOKRL-LLVKDONJSA-N 0 0 324.384 3.088 20 10 DGCDRN C[C@@H](NC(=O)CC[C@@H]1CC[C@@H](C)O1)c1ccc(N(C)C)cc1 ZINC000773019482 622969166 /nfs/dbraw/zinc/96/91/66/622969166.db2.gz MBVQLWBVRSATIY-CPUCHLNUSA-N 0 0 304.434 3.278 20 10 DGCDRN C[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773018609 622969331 /nfs/dbraw/zinc/96/93/31/622969331.db2.gz YNFRZKFKDKKTFU-LSDHHAIUSA-N 0 0 312.413 3.397 20 10 DGCDRN C[C@@H](NC(=O)Cc1c(F)cccc1F)c1ccc(N(C)C)cc1 ZINC000773024149 622969827 /nfs/dbraw/zinc/96/98/27/622969827.db2.gz ZXJFWTIPGHSXRL-GFCCVEGCSA-N 0 0 318.367 3.451 20 10 DGCDRN Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000773086649 622981335 /nfs/dbraw/zinc/98/13/35/622981335.db2.gz FIYDMALYOUZIJM-CQSZACIVSA-N 0 0 318.442 3.101 20 10 DGCDRN C[C@@H](NC(=O)NCc1ccccc1F)c1ccc(N(C)C)cc1 ZINC000773115017 622986390 /nfs/dbraw/zinc/98/63/90/622986390.db2.gz WTKQLMKTPNRMLZ-CYBMUJFWSA-N 0 0 315.392 3.452 20 10 DGCDRN CC(C)COCCCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773147273 622991311 /nfs/dbraw/zinc/99/13/11/622991311.db2.gz FCWKOZUSRQRFKB-HNNXBMFYSA-N 0 0 321.465 3.176 20 10 DGCDRN C[C@@H](NC(=O)N[C@H](C)c1ccccn1)c1ccc(N(C)C)cc1 ZINC000773152513 622992523 /nfs/dbraw/zinc/99/25/23/622992523.db2.gz XSJARLLJVUICCP-ZIAGYGMSSA-N 0 0 312.417 3.269 20 10 DGCDRN C[C@@H](NC(=O)NCc1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000773188777 622997227 /nfs/dbraw/zinc/99/72/27/622997227.db2.gz OPGFJAQVUQSAQG-CYBMUJFWSA-N 0 0 315.392 3.452 20 10 DGCDRN CC(=O)C(C)(C)CCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000773266852 623006143 /nfs/dbraw/zinc/00/61/43/623006143.db2.gz ZNNQMMNJRJDBPV-UHFFFAOYSA-N 0 0 304.434 3.106 20 10 DGCDRN Cc1ncsc1CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773277102 623007919 /nfs/dbraw/zinc/00/79/19/623007919.db2.gz QTOJXXLZYMYEKL-NSHDSACASA-N 0 0 318.446 3.078 20 10 DGCDRN COc1ncc(/C=C\C(=O)N2C[C@H](C(C)C)c3ccccc32)cn1 ZINC000773328997 623013593 /nfs/dbraw/zinc/01/35/93/623013593.db2.gz YDZNADYVFDZHKN-HLRDLLSLSA-N 0 0 323.396 3.285 20 10 DGCDRN C[C@H](NC(=O)NCCCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773348030 623015350 /nfs/dbraw/zinc/01/53/50/623015350.db2.gz ZMVNNDWPCOYIMJ-NSHDSACASA-N 0 0 317.355 3.455 20 10 DGCDRN CC(C)=CCCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000790185751 625614337 /nfs/dbraw/zinc/61/43/37/625614337.db2.gz NEFNRKWZNGRFGQ-UHFFFAOYSA-N 0 0 301.434 3.442 20 10 DGCDRN CCC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000773614551 623051638 /nfs/dbraw/zinc/05/16/38/623051638.db2.gz ANISIEGCVJPZKU-RHSMWYFYSA-N 0 0 319.449 3.024 20 10 DGCDRN Cc1cccnc1CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773627624 623053204 /nfs/dbraw/zinc/05/32/04/623053204.db2.gz PLEFHMBGZZKMPU-CQSZACIVSA-N 0 0 312.417 3.016 20 10 DGCDRN CCN1C(=O)/C(=C\c2nccn2-c2ccccc2)SC1=S ZINC000790212303 625617155 /nfs/dbraw/zinc/61/71/55/625617155.db2.gz TULOBOYBPOSSLS-ZRDIBKRKSA-N 0 0 315.423 3.093 20 10 DGCDRN CCN(C)c1ccc(CN2CCOC[C@H]2c2ccco2)cc1 ZINC000773750630 623067670 /nfs/dbraw/zinc/06/76/70/623067670.db2.gz DPNTULXHNCLXJL-KRWDZBQOSA-N 0 0 300.402 3.309 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774137138 623111472 /nfs/dbraw/zinc/11/14/72/623111472.db2.gz VUIONIRYMVFXOT-NXEZZACHSA-N 0 0 303.233 3.444 20 10 DGCDRN C[C@@H]([NH2+]CCc1cncn1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774365093 623136865 /nfs/dbraw/zinc/13/68/65/623136865.db2.gz XJUSSXXTRBLWEJ-SECBINFHSA-N 0 0 314.216 3.326 20 10 DGCDRN C[C@@H]([NH2+]CCN1CCCC(C)(C)C1)c1cc(F)cc(F)c1[O-] ZINC000774484607 623151492 /nfs/dbraw/zinc/15/14/92/623151492.db2.gz BSFMUNDVLJKTGI-GFCCVEGCSA-N 0 0 312.404 3.443 20 10 DGCDRN CC[C@H](CSC)NC(=O)NCc1ccc(N(C)C)cc1C ZINC000774786006 623191062 /nfs/dbraw/zinc/19/10/62/623191062.db2.gz YMXKFAJYOCTLMZ-CQSZACIVSA-N 0 0 309.479 3.002 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cc(Cl)no2)cc1 ZINC000873862612 623216800 /nfs/dbraw/zinc/21/68/00/623216800.db2.gz UYSJGGRMQSODBX-UHFFFAOYSA-N 0 0 321.808 3.446 20 10 DGCDRN CC[C@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000775023791 623217557 /nfs/dbraw/zinc/21/75/57/623217557.db2.gz MDIXZIKHQBMSCJ-AAEUAGOBSA-N 0 0 308.378 3.367 20 10 DGCDRN CC(C)CCN(C(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC000873960890 623224115 /nfs/dbraw/zinc/22/41/15/623224115.db2.gz FOWHSYYHTTVQMG-UHFFFAOYSA-N 0 0 302.378 3.500 20 10 DGCDRN CCC[C@@]1(CO)CCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775178300 623238557 /nfs/dbraw/zinc/23/85/57/623238557.db2.gz VQYAOSRAWIIMBF-HNNXBMFYSA-N 0 0 301.789 3.312 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2c(F)cncc2F)cc1 ZINC000874085270 623238634 /nfs/dbraw/zinc/23/86/34/623238634.db2.gz JSIQJHUUQRSKQO-UHFFFAOYSA-N 0 0 319.355 3.136 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N(C2CC2)C2CCCC2)cc1 ZINC000874352051 623262361 /nfs/dbraw/zinc/26/23/61/623262361.db2.gz PZSFSXSNTITSBN-UHFFFAOYSA-N 0 0 300.362 3.396 20 10 DGCDRN C[C@@H](NC(=O)c1ccc2n[nH]cc2c1)c1ccc(N(C)C)cc1 ZINC000775402098 623269702 /nfs/dbraw/zinc/26/97/02/623269702.db2.gz BAJKGYQJVQMWBS-GFCCVEGCSA-N 0 0 308.385 3.120 20 10 DGCDRN CNc1snc(C)c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775406897 623270490 /nfs/dbraw/zinc/27/04/90/623270490.db2.gz PYVHXRJTYPBMFS-JTQLQIEISA-N 0 0 318.446 3.050 20 10 DGCDRN Cc1cc2c[nH]nc2c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775412431 623271675 /nfs/dbraw/zinc/27/16/75/623271675.db2.gz XZOVVNBQMCJECH-ZDUSSCGKSA-N 0 0 322.412 3.428 20 10 DGCDRN COc1ccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000775434559 623274313 /nfs/dbraw/zinc/27/43/13/623274313.db2.gz KGUIPXYVQPWSIE-GFCCVEGCSA-N 0 0 314.389 3.039 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCC[C@H]1OC ZINC000775457006 623276958 /nfs/dbraw/zinc/27/69/58/623276958.db2.gz FCZSKSBSFLXJCT-RHSMWYFYSA-N 0 0 320.433 3.129 20 10 DGCDRN CCN(CC)c1ccc(CNc2nnc(C)c(C)n2)cc1F ZINC000775474939 623278354 /nfs/dbraw/zinc/27/83/54/623278354.db2.gz XENBAPTVKTVMKA-UHFFFAOYSA-N 0 0 303.385 3.086 20 10 DGCDRN CC[C@@H]([NH2+][C@H]1CCN(C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775498450 623280576 /nfs/dbraw/zinc/28/05/76/623280576.db2.gz KFJRHAHIUBKLOO-JOYOIKCWSA-N 0 0 303.233 3.444 20 10 DGCDRN C[C@H]([NH2+]CCC(C)(C)O)c1cc(Br)c(F)cc1[O-] ZINC000775586603 623293580 /nfs/dbraw/zinc/29/35/80/623293580.db2.gz TVTFFKUUEVPRTP-QMMMGPOBSA-N 0 0 320.202 3.105 20 10 DGCDRN CC(C)N(C)C(=O)C1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000775655312 623305985 /nfs/dbraw/zinc/30/59/85/623305985.db2.gz DGBHDUSMUIABGW-UHFFFAOYSA-N 0 0 324.852 3.124 20 10 DGCDRN CCC1(CO)CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775713421 623318747 /nfs/dbraw/zinc/31/87/47/623318747.db2.gz NGAZZUMQECZCRG-UHFFFAOYSA-N 0 0 301.789 3.169 20 10 DGCDRN COc1ccc(O)c(CN2CCc3c(F)ccc(F)c3C2)c1 ZINC000775728445 623321370 /nfs/dbraw/zinc/32/13/70/623321370.db2.gz URHFYHAEQVEQIW-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN COc1ccc(N2CCN(C(=O)C3=CCCCCC3)CC2)cc1 ZINC000775765518 623328584 /nfs/dbraw/zinc/32/85/84/623328584.db2.gz LFEIHXSLTAIUNI-UHFFFAOYSA-N 0 0 314.429 3.234 20 10 DGCDRN CCN(C(=O)/C=C/c1cnc(OC)nc1)c1ccc(C)cc1C ZINC000775805514 623334713 /nfs/dbraw/zinc/33/47/13/623334713.db2.gz DAXAUZCDWRQGHP-VQHVLOKHSA-N 0 0 311.385 3.168 20 10 DGCDRN CCO[C@H](C)c1noc(CN[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775832772 623338612 /nfs/dbraw/zinc/33/86/12/623338612.db2.gz BOZMGXXTDFMTIV-CHWSQXEVSA-N 0 0 318.421 3.084 20 10 DGCDRN C[C@H](NCc1nc(-c2ccccn2)no1)c1ccc(N(C)C)cc1 ZINC000775830049 623338667 /nfs/dbraw/zinc/33/86/67/623338667.db2.gz CAIWOYSABHPTDR-ZDUSSCGKSA-N 0 0 323.400 3.048 20 10 DGCDRN CC(=O)Nc1nc(CN[C@@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000775833793 623339455 /nfs/dbraw/zinc/33/94/55/623339455.db2.gz MHSOYWPXKDGJAX-NSHDSACASA-N 0 0 318.446 3.018 20 10 DGCDRN CC(=O)Nc1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000775853122 623341401 /nfs/dbraw/zinc/34/14/01/623341401.db2.gz WXOYEJDGZUHFOL-UHFFFAOYSA-N 0 0 304.777 3.294 20 10 DGCDRN CC(C)[C@H]1CCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000776038228 623368954 /nfs/dbraw/zinc/36/89/54/623368954.db2.gz VWVZSOPETDFLIM-QGZVFWFLSA-N 0 0 301.434 3.227 20 10 DGCDRN C[C@@](O)(C[NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccccc1 ZINC000776175484 623390411 /nfs/dbraw/zinc/39/04/11/623390411.db2.gz RRRLMRCAGZTKMI-MRXNPFEDSA-N 0 0 309.768 3.182 20 10 DGCDRN COc1c(Cl)cc(Cl)cc1C=C1SC(=O)NC1=O ZINC000874929005 623393326 /nfs/dbraw/zinc/39/33/26/623393326.db2.gz ZLEWUGHWDMPQLC-BAQGIRSFSA-N 0 0 304.154 3.326 20 10 DGCDRN COCCN(CC(C)C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776239575 623400885 /nfs/dbraw/zinc/40/08/85/623400885.db2.gz UOLPSWFVWUKKRZ-OAHLLOKOSA-N 0 0 321.465 3.128 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCc1cnc(C2CC2)nc1 ZINC000776253299 623401674 /nfs/dbraw/zinc/40/16/74/623401674.db2.gz LWCHQKHWZOZMNB-UHFFFAOYSA-N 0 0 321.783 3.184 20 10 DGCDRN Cc1cc(O)c(CN[C@@H](C(=O)OC(C)(C)C)C(C)C)cc1C ZINC000776256506 623402687 /nfs/dbraw/zinc/40/26/87/623402687.db2.gz BUHNBSVMEVQTDI-MRXNPFEDSA-N 0 0 307.434 3.465 20 10 DGCDRN C[C@@H](NC(=O)c1cccc(N(C)C)c1)c1ccc(N(C)C)cc1 ZINC000776268652 623404257 /nfs/dbraw/zinc/40/42/57/623404257.db2.gz FDCVQZZKGQCQPD-CQSZACIVSA-N 0 0 311.429 3.310 20 10 DGCDRN C[C@H](NC(=O)c1cccc(N(C)C)c1)c1ccc(N(C)C)cc1 ZINC000776268650 623404289 /nfs/dbraw/zinc/40/42/89/623404289.db2.gz FDCVQZZKGQCQPD-AWEZNQCLSA-N 0 0 311.429 3.310 20 10 DGCDRN C[C@@H](CCc1ccco1)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875010297 623406605 /nfs/dbraw/zinc/40/66/05/623406605.db2.gz GTOPFLWZTXUVGH-LBPRGKRZSA-N 0 0 300.358 3.032 20 10 DGCDRN C[C@H](NC(=O)[C@H]1CC[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000776309744 623409940 /nfs/dbraw/zinc/40/99/40/623409940.db2.gz MLFKJLXIRCKSLS-VYDXJSESSA-N 0 0 316.445 3.137 20 10 DGCDRN c1cc(CNCc2nc3c(s2)CCCC3)cc2c1OCC2 ZINC000776342666 623413995 /nfs/dbraw/zinc/41/39/95/623413995.db2.gz KLQJOLUWTYKSGO-UHFFFAOYSA-N 0 0 300.427 3.247 20 10 DGCDRN C[C@H]1CCCC[C@H]1OCCNC(=O)N1Cc2cccc(O)c2C1 ZINC000875081671 623414011 /nfs/dbraw/zinc/41/40/11/623414011.db2.gz KBXMECSMHYCWLU-SUMWQHHRSA-N 0 0 318.417 3.013 20 10 DGCDRN C[C@@H]1CC[C@H](C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000776339902 623414316 /nfs/dbraw/zinc/41/43/16/623414316.db2.gz RDCSYQVMZYITJE-ZBFHGGJFSA-N 0 0 318.486 3.292 20 10 DGCDRN O=C(NCCOc1cccc2ccccc21)c1cccc(O)c1O ZINC000776339831 623414323 /nfs/dbraw/zinc/41/43/23/623414323.db2.gz CPVXDYCBVSUTMC-UHFFFAOYSA-N 0 0 323.348 3.060 20 10 DGCDRN O=C(NCCc1ccc(Cl)s1)N1Cc2cccc(O)c2C1 ZINC000875114040 623417456 /nfs/dbraw/zinc/41/74/56/623417456.db2.gz ODDKOIBFBASDGQ-UHFFFAOYSA-N 0 0 322.817 3.375 20 10 DGCDRN C[C@@H]1C[C@@H]1c1ccc(CNC(=O)N2Cc3cccc(O)c3C2)o1 ZINC000875117988 623417874 /nfs/dbraw/zinc/41/78/74/623417874.db2.gz PDCYXGADSQPTHF-RISCZKNCSA-N 0 0 312.369 3.334 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H](C)COc1ccccc1)c1ccccc1O ZINC000875125520 623418944 /nfs/dbraw/zinc/41/89/44/623418944.db2.gz PJRYFJDQAHSUIB-UONOGXRCSA-N 0 0 314.385 3.220 20 10 DGCDRN C[C@H](NC(=O)NCCOC1CCCCC1)c1ccccc1O ZINC000875131851 623419599 /nfs/dbraw/zinc/41/95/99/623419599.db2.gz SVOGCJJCAKYDCX-ZDUSSCGKSA-N 0 0 306.406 3.102 20 10 DGCDRN COc1cc(CNC(=O)N[C@H](C)c2ccccc2O)ccc1C ZINC000875141416 623420352 /nfs/dbraw/zinc/42/03/52/623420352.db2.gz PPUBWIGEHUQYHM-CYBMUJFWSA-N 0 0 314.385 3.270 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@]23C[C@H]2CCCC3)cc1F ZINC000875180762 623425241 /nfs/dbraw/zinc/42/52/41/623425241.db2.gz UUXZPBZAAUJDER-CXAGYDPISA-N 0 0 305.397 3.024 20 10 DGCDRN CC(C)(CNC(=O)N1Cc2cccc(O)c2C1)c1cccs1 ZINC000875290237 623434441 /nfs/dbraw/zinc/43/44/41/623434441.db2.gz JHKIUKUIOONAAF-UHFFFAOYSA-N 0 0 316.426 3.457 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NCc2csc(C)c2C)c1 ZINC000875289405 623434463 /nfs/dbraw/zinc/43/44/63/623434463.db2.gz GSWUOUPHOYQRQT-UHFFFAOYSA-N 0 0 320.414 3.079 20 10 DGCDRN CC(C)c1csc(CNC(=O)N2Cc3cccc(O)c3C2)n1 ZINC000875388632 623445325 /nfs/dbraw/zinc/44/53/25/623445325.db2.gz INJBGNLHQOAINA-UHFFFAOYSA-N 0 0 317.414 3.198 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)c1ccccc1O ZINC000875401559 623446361 /nfs/dbraw/zinc/44/63/61/623446361.db2.gz BXQOJAITHZMJRW-PHRNICBLSA-N 0 0 322.408 3.481 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)c1ccccc1O ZINC000875401562 623446499 /nfs/dbraw/zinc/44/64/99/623446499.db2.gz BXQOJAITHZMJRW-YDISMWLMSA-N 0 0 322.408 3.481 20 10 DGCDRN COc1ccc(OC(C)C)c(NC(=O)c2cccc(O)c2O)c1 ZINC000776652536 623448489 /nfs/dbraw/zinc/44/84/89/623448489.db2.gz NPSRCQPJOLCVKF-UHFFFAOYSA-N 0 0 317.341 3.146 20 10 DGCDRN C[C@@H](NC(=O)N[C@H](c1cccnc1)C1CC1)c1ccccc1O ZINC000875432615 623450139 /nfs/dbraw/zinc/45/01/39/623450139.db2.gz VYCHDXXIDGVRIJ-PXAZEXFGSA-N 0 0 311.385 3.299 20 10 DGCDRN C[C@H](NC(=O)N1OC2CCC1CC2)c1ccc(N(C)C)cc1 ZINC000875507831 623457631 /nfs/dbraw/zinc/45/76/31/623457631.db2.gz LJRRADVBCUARJT-JQRITLKVSA-N 0 0 303.406 3.082 20 10 DGCDRN Cc1ncsc1/C=C/C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776931489 623476990 /nfs/dbraw/zinc/47/69/90/623476990.db2.gz SBWDLUCQONCPCO-VMPCVLLUSA-N 0 0 315.442 3.408 20 10 DGCDRN CC[C@@H](CNC(=O)N1Cc2cccc(O)c2C1)CC(F)(F)F ZINC000875667248 623477404 /nfs/dbraw/zinc/47/74/04/623477404.db2.gz LXSCMIYRLAIWGQ-SNVBAGLBSA-N 0 0 316.323 3.396 20 10 DGCDRN Cc1scc(CNC(=O)N2Cc3cccc(O)c3C2)c1C ZINC000875981761 623519525 /nfs/dbraw/zinc/51/95/25/623519525.db2.gz UHVBZCKXWPYELQ-UHFFFAOYSA-N 0 0 302.399 3.296 20 10 DGCDRN COC(=O)CC1([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCC1 ZINC000777439290 623524833 /nfs/dbraw/zinc/52/48/33/623524833.db2.gz CJJLFFUTFLBKDN-UHFFFAOYSA-N 0 0 318.200 3.274 20 10 DGCDRN Cc1cccn2cc(C[NH2+]Cc3cc(Cl)cc(F)c3[O-])nc12 ZINC000777485509 623530918 /nfs/dbraw/zinc/53/09/18/623530918.db2.gz YRUYCJVJHOICGP-UHFFFAOYSA-N 0 0 319.767 3.431 20 10 DGCDRN CCOc1ccc(CNc2nnc(CCC(C)C)o2)c(O)c1 ZINC000777515809 623534084 /nfs/dbraw/zinc/53/40/84/623534084.db2.gz ODUKJBCCYIFUFN-UHFFFAOYSA-N 0 0 305.378 3.375 20 10 DGCDRN O=C(NCCCSc1ccccc1)c1cccc(O)c1O ZINC000790473232 625657803 /nfs/dbraw/zinc/65/78/03/625657803.db2.gz SVQQPAMWCVGJJY-UHFFFAOYSA-N 0 0 303.383 3.010 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1ncccn1 ZINC000888697771 623543633 /nfs/dbraw/zinc/54/36/33/623543633.db2.gz FCTUQXFIEMQAGI-UHFFFAOYSA-N 0 0 300.362 3.016 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CC(C)(C)CO1 ZINC000876330719 623586287 /nfs/dbraw/zinc/58/62/87/623586287.db2.gz ORYXEYDSOGTKEA-OAHLLOKOSA-N 0 0 320.433 3.129 20 10 DGCDRN C[C@H]1CCC[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000125967595 623624861 /nfs/dbraw/zinc/62/48/61/623624861.db2.gz VLWCMAZGMGALSH-RDJZCZTQSA-N 0 0 313.445 3.441 20 10 DGCDRN Cc1ccc(/C=C\C(=O)N2CCN(C3CC3)c3ccccc32)cn1 ZINC000778259098 623633145 /nfs/dbraw/zinc/63/31/45/623633145.db2.gz ZWTHJXJWZXXJHL-FLIBITNWSA-N 0 0 319.408 3.419 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](F)Cc2ccccc2)c1 ZINC000778390173 623651121 /nfs/dbraw/zinc/65/11/21/623651121.db2.gz LOYVJUAZTNXWMX-MLGOLLRUSA-N 0 0 317.360 3.159 20 10 DGCDRN [O-]c1c(F)c(F)ccc1C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000876635602 623665730 /nfs/dbraw/zinc/66/57/30/623665730.db2.gz ZHWWRDJBZFNVHB-CQSZACIVSA-N 0 0 323.339 3.445 20 10 DGCDRN Cc1ccc(CN2CCO[C@H](c3cccc(F)c3)C2)c(O)c1 ZINC000876681876 623681408 /nfs/dbraw/zinc/68/14/08/623681408.db2.gz AVHKOHIZTVDWGX-SFHVURJKSA-N 0 0 301.361 3.413 20 10 DGCDRN CCOc1ccc(NC(=O)c2cccc(O)c2O)cc1Cl ZINC000790548100 625668949 /nfs/dbraw/zinc/66/89/49/625668949.db2.gz UMYHFAXJXSPCCG-UHFFFAOYSA-N 0 0 307.733 3.402 20 10 DGCDRN O=C(NCc1ccc(-c2ccccc2)o1)c1cccc(O)c1O ZINC000790557269 625669584 /nfs/dbraw/zinc/66/95/84/625669584.db2.gz ZLGVEHLTGQILQD-UHFFFAOYSA-N 0 0 309.321 3.288 20 10 DGCDRN Cc1cc(C)c(/C=C/C(=O)NCc2ccc(O)c(O)c2)cc1C ZINC000778927727 623712330 /nfs/dbraw/zinc/71/23/30/623712330.db2.gz UAIJIYLFUCHJIM-FNORWQNLSA-N 0 0 311.381 3.353 20 10 DGCDRN Cc1ccc(Br)cc1NC(=O)c1cccc(O)c1O ZINC000126172995 623716266 /nfs/dbraw/zinc/71/62/66/623716266.db2.gz FGJHRXUIMWJCMC-UHFFFAOYSA-N 0 0 322.158 3.421 20 10 DGCDRN COCCOCc1cccc(NCc2c(C)cccc2O)c1 ZINC000876822880 623718717 /nfs/dbraw/zinc/71/87/17/623718717.db2.gz PGNZSDODTDDCNT-UHFFFAOYSA-N 0 0 301.386 3.476 20 10 DGCDRN Cc1cc(Br)cc([C@@H](C)NCc2cocn2)c1O ZINC000779039194 623723486 /nfs/dbraw/zinc/72/34/86/623723486.db2.gz AQZUJGYDBIVVJP-SECBINFHSA-N 0 0 311.179 3.302 20 10 DGCDRN Cc1ccc(CNc2ccc(CN3CCOCC3)cc2)c(O)c1 ZINC000876838105 623725431 /nfs/dbraw/zinc/72/54/31/623725431.db2.gz IFVSCCNGMHWQLG-UHFFFAOYSA-N 0 0 312.413 3.145 20 10 DGCDRN C[C@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1ccc(F)cc1[O-] ZINC000779082176 623728269 /nfs/dbraw/zinc/72/82/69/623728269.db2.gz JVHABXLOSNWMBE-LBPRGKRZSA-N 0 0 314.360 3.353 20 10 DGCDRN Cc1cccc(O)c1CNc1cccc(N2CCCNC2=O)c1 ZINC000876869869 623732711 /nfs/dbraw/zinc/73/27/11/623732711.db2.gz WDEGTLGFUIFJSK-UHFFFAOYSA-N 0 0 311.385 3.232 20 10 DGCDRN Cc1ccc(CNc2cccc(N3CCCNC3=O)c2)c(O)c1 ZINC000876869353 623732767 /nfs/dbraw/zinc/73/27/67/623732767.db2.gz SCJMRMWOJBECOM-UHFFFAOYSA-N 0 0 311.385 3.232 20 10 DGCDRN COc1ccccc1OCCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877011036 623765771 /nfs/dbraw/zinc/76/57/71/623765771.db2.gz TWYLUQLWFRIXGO-UHFFFAOYSA-N 0 0 323.339 3.238 20 10 DGCDRN CCC[C@](C)(NCc1ccc(N(CC)CC)cc1)C(=O)OC ZINC000779431433 623769637 /nfs/dbraw/zinc/76/96/37/623769637.db2.gz FINPEWJLSXMVIQ-SFHVURJKSA-N 0 0 306.450 3.354 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877030707 623769651 /nfs/dbraw/zinc/76/96/51/623769651.db2.gz ICBWWOWHZNBINJ-UHFFFAOYSA-N 0 0 306.356 3.335 20 10 DGCDRN COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000779432187 623770494 /nfs/dbraw/zinc/77/04/94/623770494.db2.gz NLCKCGIOSRQTPV-BLLLJJGKSA-N 0 0 311.809 3.257 20 10 DGCDRN [O-]c1c(C[NH2+]C[C@H]2OCCc3ccccc32)ccc(F)c1F ZINC000877037516 623772971 /nfs/dbraw/zinc/77/29/71/623772971.db2.gz SPFDDMDEMSRMAJ-OAHLLOKOSA-N 0 0 305.324 3.074 20 10 DGCDRN C[C@@H]1c2ccsc2CCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779489735 623774183 /nfs/dbraw/zinc/77/41/83/623774183.db2.gz SRZYVSZFMIJSGP-USEMIUTHSA-N 0 0 315.394 3.318 20 10 DGCDRN O=C([O-])C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000779491645 623775073 /nfs/dbraw/zinc/77/50/73/623775073.db2.gz RWPQODYQRFIZBG-QGZVFWFLSA-N 0 0 302.418 3.020 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](c1cccs1)C1CC1 ZINC000779492071 623775093 /nfs/dbraw/zinc/77/50/93/623775093.db2.gz BJYREFZSGNLDEN-IOMDMTNGSA-N 0 0 315.394 3.440 20 10 DGCDRN CCc1cccc2c1N(C(=O)/C=C\c1ccc(O)c(O)c1)CC2 ZINC000779506030 623776062 /nfs/dbraw/zinc/77/60/62/623776062.db2.gz MQCGZTSIPJZVCJ-CLFYSBASSA-N 0 0 309.365 3.263 20 10 DGCDRN CC(C)[C@@H]1CCC[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000779511797 623776069 /nfs/dbraw/zinc/77/60/69/623776069.db2.gz LHHPXHNPPCAYBI-UEDYQVLESA-N 0 0 303.402 3.442 20 10 DGCDRN Cc1ccc2c(c1)[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)CC2 ZINC000779513700 623776600 /nfs/dbraw/zinc/77/66/00/623776600.db2.gz IIDSANKTKAPBRE-VCELZJIISA-N 0 0 309.365 3.223 20 10 DGCDRN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779514209 623776674 /nfs/dbraw/zinc/77/66/74/623776674.db2.gz ZNIALPRYGZPPTJ-VOUMOHMSSA-N 0 0 303.402 3.442 20 10 DGCDRN C[C@H]1Cc2ccccc2N(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000779516820 623776768 /nfs/dbraw/zinc/77/67/68/623776768.db2.gz ZJVZLEMHBVUWKR-JWJUJFCLSA-N 0 0 309.365 3.336 20 10 DGCDRN CC(C)[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccn1 ZINC000779522159 623777563 /nfs/dbraw/zinc/77/75/63/623777563.db2.gz XBMPFJHSCKMXOX-YPLUBFQTSA-N 0 0 312.369 3.020 20 10 DGCDRN CC[C@@H](Nc1cccnc1Cl)C(=O)N(C)c1ccc(N)cc1 ZINC000877076736 623785263 /nfs/dbraw/zinc/78/52/63/623785263.db2.gz QGXKHURCDMUXSH-CYBMUJFWSA-N 0 0 318.808 3.171 20 10 DGCDRN CCc1c(C(=O)N(C)c2ccc(N)cc2)cnn1C(C)(C)C ZINC000877078047 623785763 /nfs/dbraw/zinc/78/57/63/623785763.db2.gz AUMNCOZAXCTEKV-UHFFFAOYSA-N 0 0 300.406 3.059 20 10 DGCDRN CC1CCN(c2ccc(C(=O)N(C)c3ccc(N)cc3)cn2)CC1 ZINC000877077767 623786062 /nfs/dbraw/zinc/78/60/62/623786062.db2.gz UEVAMVKHNIZQIE-UHFFFAOYSA-N 0 0 324.428 3.177 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@@H](O)c1cccc(F)c1 ZINC000877083744 623787226 /nfs/dbraw/zinc/78/72/26/623787226.db2.gz PEQRWFUGZWOMLJ-BJOHPYRUSA-N 0 0 311.303 3.021 20 10 DGCDRN C[C@H](O)C[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])c1ccccc1 ZINC000877093585 623790160 /nfs/dbraw/zinc/79/01/60/623790160.db2.gz JYNJSBMSAXFILB-SWLSCSKDSA-N 0 0 321.367 3.315 20 10 DGCDRN CC[C@@](C)(NC(=O)Cc1ccc(N)cc1)c1ccc(F)cc1 ZINC000877132964 623799838 /nfs/dbraw/zinc/79/98/38/623799838.db2.gz SEULLCLQDMVOTQ-GOSISDBHSA-N 0 0 300.377 3.392 20 10 DGCDRN CC(C)(C)OC(=O)CCCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877133523 623801033 /nfs/dbraw/zinc/80/10/33/623801033.db2.gz FCJYYLVNSZNIRX-UHFFFAOYSA-N 0 0 315.360 3.272 20 10 DGCDRN Cc1ccccc1NC(=S)NNc1cccc(F)c1[N+](=O)[O-] ZINC000790607961 625677238 /nfs/dbraw/zinc/67/72/38/625677238.db2.gz JUFZZLFAHBNJSH-UHFFFAOYSA-N 0 0 320.349 3.356 20 10 DGCDRN CC(C)Oc1ccc(N(C)Cc2cnc3c(cnn3C)c2)cc1 ZINC000877479157 623901869 /nfs/dbraw/zinc/90/18/69/623901869.db2.gz UCBZDPLZLZUVHX-UHFFFAOYSA-N 0 0 310.401 3.392 20 10 DGCDRN Cc1cccc(O)c1C[N@@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000877503966 623915205 /nfs/dbraw/zinc/91/52/05/623915205.db2.gz YRGBUFDBVPOLHO-HXUWFJFHSA-N 0 0 311.425 3.227 20 10 DGCDRN Cc1ccc(CN[C@H](C)c2ncc(Br)cn2)c(O)c1 ZINC000877549943 623937269 /nfs/dbraw/zinc/93/72/69/623937269.db2.gz SIMVQJMXQCNMEE-SNVBAGLBSA-N 0 0 322.206 3.104 20 10 DGCDRN CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877587150 623952069 /nfs/dbraw/zinc/95/20/69/623952069.db2.gz GQEADQHLZZJTLT-PBHICJAKSA-N 0 0 305.324 3.072 20 10 DGCDRN [O-]c1c(C[NH+]2CCC([C@H]3CCCCO3)CC2)ccc(F)c1F ZINC000877633233 623970707 /nfs/dbraw/zinc/97/07/07/623970707.db2.gz DKFDNEWXXHDWAK-OAHLLOKOSA-N 0 0 311.372 3.452 20 10 DGCDRN COC1(CNC(=O)c2sccc2-n2c(C)ccc2C)CCC1 ZINC000780764234 623981589 /nfs/dbraw/zinc/98/15/89/623981589.db2.gz BMXGWXKIXSMRGU-UHFFFAOYSA-N 0 0 318.442 3.455 20 10 DGCDRN COc1ccc(N(C)Cc2cnc3cnccn23)cc1Cl ZINC000780779524 623982166 /nfs/dbraw/zinc/98/21/66/623982166.db2.gz JMXCLLYKYXDWSN-UHFFFAOYSA-N 0 0 302.765 3.028 20 10 DGCDRN [O-]c1c(C[N@H+]2CC[C@@H](O)C[C@@H]2c2ccccc2)ccc(F)c1F ZINC000877673737 623987001 /nfs/dbraw/zinc/98/70/01/623987001.db2.gz QXVFGPQPHOLZKE-GDBMZVCRSA-N 0 0 319.351 3.368 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@H](C)[C@]23C[C@H]2CCCC3)ccc1[N+](=O)[O-] ZINC000877685774 623991786 /nfs/dbraw/zinc/99/17/86/623991786.db2.gz GSVABFAMYVYAEA-NDGTYSDOSA-N 0 0 320.389 3.367 20 10 DGCDRN CCC1([NH+](C)C)CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000877690993 623993356 /nfs/dbraw/zinc/99/33/56/623993356.db2.gz XRCAXYGYJHUXKO-UHFFFAOYSA-N 0 0 314.832 3.491 20 10 DGCDRN COC(=O)[C@@H]1C[C@H]1c1ccc(NCc2cc(F)ccc2O)cc1 ZINC000877693238 623994037 /nfs/dbraw/zinc/99/40/37/623994037.db2.gz PLBJUCNWDHWOET-JKSUJKDBSA-N 0 0 315.344 3.420 20 10 DGCDRN Cc1ccc(C(=O)NC2(c3ccc(F)cc3)CCC2)c(O)c1O ZINC000780907492 623996092 /nfs/dbraw/zinc/99/60/92/623996092.db2.gz JGKDKCSFPIKCOB-UHFFFAOYSA-N 0 0 315.344 3.355 20 10 DGCDRN CCOc1cc(CN2Cc3cccc(O)c3C2)c(F)cc1OC ZINC000877702733 623997881 /nfs/dbraw/zinc/99/78/81/623997881.db2.gz FRWGNGIWYNXMNJ-UHFFFAOYSA-N 0 0 317.360 3.454 20 10 DGCDRN COC1CCC(C(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000780935286 624000725 /nfs/dbraw/zinc/00/07/25/624000725.db2.gz IAUQPQPHVAMGON-UHFFFAOYSA-N 0 0 317.429 3.092 20 10 DGCDRN Cc1ccc(C(=O)N2CCc3cc(F)ccc3[C@H]2C)c(O)c1O ZINC000780948644 624002818 /nfs/dbraw/zinc/00/28/18/624002818.db2.gz UXMZCASBKMGHJD-LLVKDONJSA-N 0 0 315.344 3.305 20 10 DGCDRN Cc1ccc(C(=O)N2C[C@@H](C(F)(F)F)CC[C@H]2C)c(O)c1O ZINC000781048276 624014052 /nfs/dbraw/zinc/01/40/52/624014052.db2.gz HHLIHKWVVUQLKO-ZJUUUORDSA-N 0 0 317.307 3.209 20 10 DGCDRN Cc1cc(NC(=O)c2cccc(O)c2O)ccc1OC(C)C ZINC000790785119 625697651 /nfs/dbraw/zinc/69/76/51/625697651.db2.gz TYNPMZBOMMUZSZ-UHFFFAOYSA-N 0 0 301.342 3.446 20 10 DGCDRN Cc1cc(N(C)C)ccc1[C@@H]1NC(C)(C)C(=O)N1CC(C)(C)C ZINC000877856513 624070122 /nfs/dbraw/zinc/07/01/22/624070122.db2.gz DFUZHXMGCJSRMC-MRXNPFEDSA-N 0 0 317.477 3.316 20 10 DGCDRN CN(C)c1ccc([C@H]2NC(C)(C)C(=O)N2CC(C)(C)C)cc1F ZINC000877856543 624070272 /nfs/dbraw/zinc/07/02/72/624070272.db2.gz DRDPHLPIPPHBEE-HNNXBMFYSA-N 0 0 321.440 3.147 20 10 DGCDRN COc1ccc2c(c1)CCCN2C[C@@H]1CC2(CO1)CCOCC2 ZINC000877944148 624104622 /nfs/dbraw/zinc/10/46/22/624104622.db2.gz LKBDDHQXFSQOBZ-KRWDZBQOSA-N 0 0 317.429 3.034 20 10 DGCDRN CO[C@H](C[NH2+]Cc1cc(C)cc(Br)c1[O-])C(C)C ZINC000781632118 624110171 /nfs/dbraw/zinc/11/01/71/624110171.db2.gz HCUPSBXBHBRAGW-CYBMUJFWSA-N 0 0 316.239 3.224 20 10 DGCDRN CC[C@@](C)(CCO)[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000781635448 624110330 /nfs/dbraw/zinc/11/03/30/624110330.db2.gz NMHHXOBFCKTVAD-AWEZNQCLSA-N 0 0 316.239 3.104 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+]C2(C)CCOCC2)c1 ZINC000781637930 624111828 /nfs/dbraw/zinc/11/18/28/624111828.db2.gz ZHLPGNAIRVIBBQ-UHFFFAOYSA-N 0 0 314.223 3.122 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000781897217 624166737 /nfs/dbraw/zinc/16/67/37/624166737.db2.gz PXSYHRAXGCVRRM-LLVKDONJSA-N 0 0 316.264 3.400 20 10 DGCDRN CCOC(=O)c1ncc(CN(C)c2ccc(OCC)cc2)s1 ZINC000878124655 624179781 /nfs/dbraw/zinc/17/97/81/624179781.db2.gz JXMLXGXUGRYKNY-UHFFFAOYSA-N 0 0 320.414 3.355 20 10 DGCDRN CC[C@@H]1C[C@H](CC(=O)N[C@@H](C)c2cc(OC)ccc2O)CCO1 ZINC000782016186 624188010 /nfs/dbraw/zinc/18/80/10/624188010.db2.gz YYENGCXVCGAFEH-BFHYXJOUSA-N 0 0 321.417 3.173 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1ncnc2cccc(F)c21 ZINC000782043017 624193296 /nfs/dbraw/zinc/19/32/96/624193296.db2.gz WAMZANZUJJVQMT-JTQLQIEISA-N 0 0 313.332 3.223 20 10 DGCDRN CCN(Cc1nc(C2CCC2)no1)c1ccc(OC)c(OC)c1 ZINC000878217598 624219582 /nfs/dbraw/zinc/21/95/82/624219582.db2.gz BGULEMLYIYXMOP-UHFFFAOYSA-N 0 0 317.389 3.381 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@@]1(c2ccccc2)C[C@H](F)C1 ZINC000878276742 624233367 /nfs/dbraw/zinc/23/33/67/624233367.db2.gz KVBUWDPDKRLAJR-RUCARUNLSA-N 0 0 313.372 3.421 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cnc(C2CC2)o1 ZINC000878596287 624317304 /nfs/dbraw/zinc/31/73/04/624317304.db2.gz BQRVATUSBNUTLI-UHFFFAOYSA-N 0 0 300.358 3.310 20 10 DGCDRN CCCc1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1 ZINC000783180279 624320790 /nfs/dbraw/zinc/32/07/90/624320790.db2.gz ZKCUZOKGPXURQL-UHFFFAOYSA-N 0 0 314.337 3.090 20 10 DGCDRN O=C(Nc1nc2ccccc2n1C1CC1)c1cccc(O)c1O ZINC000790902797 625713647 /nfs/dbraw/zinc/71/36/47/625713647.db2.gz QTOYNJAAOSFZEP-UHFFFAOYSA-N 0 0 309.325 3.035 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@H]2CCC(C)(C)CO2)c1 ZINC000878731212 624350362 /nfs/dbraw/zinc/35/03/62/624350362.db2.gz ZMIXGHSMIAAAGN-GXTWGEPZSA-N 0 0 321.417 3.173 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2c[nH]cc2C2CC2)c1 ZINC000878730942 624350461 /nfs/dbraw/zinc/35/04/61/624350461.db2.gz UXWQEXYOYQMAMZ-JTQLQIEISA-N 0 0 300.358 3.097 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@H]2CCC(C)(C)CO2)c1 ZINC000878731215 624350567 /nfs/dbraw/zinc/35/05/67/624350567.db2.gz ZMIXGHSMIAAAGN-TZMCWYRMSA-N 0 0 321.417 3.173 20 10 DGCDRN COc1ccc(N(C)Cc2csc(-c3ccn(C)n3)n2)cc1 ZINC000878801585 624362687 /nfs/dbraw/zinc/36/26/87/624362687.db2.gz MCBBDPXXXNWVOU-UHFFFAOYSA-N 0 0 314.414 3.189 20 10 DGCDRN COc1ccc(N(C)C[C@@H]2CCC3(CCOCC3)CO2)cc1 ZINC000878801088 624362898 /nfs/dbraw/zinc/36/28/98/624362898.db2.gz FYBQGRUWAFWMGC-KRWDZBQOSA-N 0 0 305.418 3.107 20 10 DGCDRN O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)C1=CC(=O)CS1 ZINC000783608804 624374224 /nfs/dbraw/zinc/37/42/24/624374224.db2.gz SATPHEOEBDCAEH-UHFFFAOYSA-N 0 0 313.718 3.372 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)C[C@@H](C)O)c(C)n1-c1ccc(F)cc1 ZINC000783631585 624377156 /nfs/dbraw/zinc/37/71/56/624377156.db2.gz PYPLRKMJNFWPQV-DGCLKSJQSA-N 0 0 318.392 3.122 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)C[C@@H](C)O)c(C)n1-c1ccc(F)cc1 ZINC000783631587 624377319 /nfs/dbraw/zinc/37/73/19/624377319.db2.gz PYPLRKMJNFWPQV-WCQYABFASA-N 0 0 318.392 3.122 20 10 DGCDRN COc1ccc2c(c1)CCCN2C(=O)/C=C/c1cnccc1C ZINC000783840102 624399737 /nfs/dbraw/zinc/39/97/37/624399737.db2.gz UYDIDMFEEBGWSZ-VMPITWQZSA-N 0 0 308.381 3.391 20 10 DGCDRN CC(C)[C@@H](CC(F)(F)F)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000783870595 624402990 /nfs/dbraw/zinc/40/29/90/624402990.db2.gz XQWXXTOPBFNXNB-DUMNWFOQSA-N 0 0 317.307 3.204 20 10 DGCDRN COc1cc(Cl)cc(CN2CCO[C@@H](C(C)(C)C)C2)c1O ZINC000790930509 625717861 /nfs/dbraw/zinc/71/78/61/625717861.db2.gz DEMZBFYJMZODTP-CQSZACIVSA-N 0 0 313.825 3.301 20 10 DGCDRN CC[C@@H]([NH2+][C@H](CO)CC(F)(F)F)c1cccc(Cl)c1[O-] ZINC000806149438 624410607 /nfs/dbraw/zinc/41/06/07/624410607.db2.gz SNCXOXWMWMEBDA-GZMMTYOYSA-N 0 0 311.731 3.400 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CC[C@H](C(C)(C)C)C2)cc1 ZINC000783939538 624410854 /nfs/dbraw/zinc/41/08/54/624410854.db2.gz MYZOXVCKARRTPK-HNNXBMFYSA-N 0 0 303.450 3.330 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)N1C[C@H](C)Oc2cc(F)ccc21 ZINC000784045948 624427542 /nfs/dbraw/zinc/42/75/42/624427542.db2.gz CQGXDNBTMIWETH-YIALFULDSA-N 0 0 312.344 3.356 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C=C\c1cnccc1C)C[C@@H](C)O2 ZINC000784049833 624428404 /nfs/dbraw/zinc/42/84/04/624428404.db2.gz RNSWJEIXZCIEGW-HJHHMULASA-N 0 0 324.380 3.226 20 10 DGCDRN COc1cc(NC(=O)c2cccc(O)c2O)ccc1OC(C)C ZINC000790939525 625718992 /nfs/dbraw/zinc/71/89/92/625718992.db2.gz RSRRQEDZEYZWPA-UHFFFAOYSA-N 0 0 317.341 3.146 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCCSc1ccccc1 ZINC000784281536 624478875 /nfs/dbraw/zinc/47/88/75/624478875.db2.gz RRWMLOJTZLMYSV-CLFYSBASSA-N 0 0 316.378 3.447 20 10 DGCDRN COCCc1ccccc1NC(=O)N[C@H](C)c1ccccc1O ZINC000879331501 624508842 /nfs/dbraw/zinc/50/88/42/624508842.db2.gz IEAQQDXWGMZPND-CYBMUJFWSA-N 0 0 314.385 3.464 20 10 DGCDRN CC(C)(C(=O)OCC(=O)c1ccc(O)c(O)c1)C1CCCC1 ZINC000784385912 624517532 /nfs/dbraw/zinc/51/75/32/624517532.db2.gz MEQVNUZYFPVAJJ-UHFFFAOYSA-N 0 0 306.358 3.040 20 10 DGCDRN CC(C)c1ccc(C(=O)NCc2ccccc2O)cc1[N+](=O)[O-] ZINC000784445642 624524561 /nfs/dbraw/zinc/52/45/61/624524561.db2.gz LLYNDOPBSFLJBL-UHFFFAOYSA-N 0 0 314.341 3.354 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccccc1-c1cn[nH]c1 ZINC000784469652 624528860 /nfs/dbraw/zinc/52/88/60/624528860.db2.gz UGHOFVSHIWDXDA-VURMDHGXSA-N 0 0 321.336 3.140 20 10 DGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(F)cn1 ZINC000784635722 624563161 /nfs/dbraw/zinc/56/31/61/624563161.db2.gz KWRKOFKJDUBBAG-UHFFFAOYSA-N 0 0 313.376 3.141 20 10 DGCDRN CCOc1cccc(CNc2ccc3ccc(=O)n(C)c3c2)c1O ZINC000785533564 624683266 /nfs/dbraw/zinc/68/32/66/624683266.db2.gz AYLWRCZTBQNKNC-UHFFFAOYSA-N 0 0 324.380 3.255 20 10 DGCDRN CC[C@]1(C)CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000785585959 624691956 /nfs/dbraw/zinc/69/19/56/624691956.db2.gz SQQLQOWJIUELFM-RDTXWAMCSA-N 0 0 319.449 3.024 20 10 DGCDRN CC[C@@]1(C)Oc2ccc(NC(=O)c3cccc(O)c3O)cc2O1 ZINC000785670074 624710077 /nfs/dbraw/zinc/71/00/77/624710077.db2.gz LBPRLPDHENBOPX-KRWDZBQOSA-N 0 0 315.325 3.248 20 10 DGCDRN CC[C@H](C)OCC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000128183410 624776114 /nfs/dbraw/zinc/77/61/14/624776114.db2.gz UOLWCZKIOFFXPR-INIZCTEOSA-N 0 0 318.461 3.354 20 10 DGCDRN CC[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)C(F)(F)F ZINC000786732834 624948958 /nfs/dbraw/zinc/94/89/58/624948958.db2.gz VJLQEOAASOSOJZ-LBPRGKRZSA-N 0 0 321.318 3.032 20 10 DGCDRN Cc1ccc(C)c(NC(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000128409817 624956392 /nfs/dbraw/zinc/95/63/92/624956392.db2.gz BFIFYANZAURNLC-UHFFFAOYSA-N 0 0 300.358 3.079 20 10 DGCDRN Cc1ccc(N[C@@H](C)c2ccccc2O)cc1N1CCNC1=O ZINC000786988006 624970745 /nfs/dbraw/zinc/97/07/45/624970745.db2.gz HBCHRFFHSLCXKP-ZDUSSCGKSA-N 0 0 311.385 3.403 20 10 DGCDRN Cc1cscc1CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000787124253 624981356 /nfs/dbraw/zinc/98/13/56/624981356.db2.gz GMFJIAKFYUHIGH-UHFFFAOYSA-N 0 0 321.421 3.261 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)Cc2ccsc2C)c1 ZINC000787131620 624982354 /nfs/dbraw/zinc/98/23/54/624982354.db2.gz QLQPYSFZJDYSRU-JTQLQIEISA-N 0 0 305.399 3.191 20 10 DGCDRN Cc1cc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cs1 ZINC000880640616 624992487 /nfs/dbraw/zinc/99/24/87/624992487.db2.gz QVPIPOSQHPIKGD-VIFPVBQESA-N 0 0 306.387 3.220 20 10 DGCDRN CC(C)([NH2+]Cc1cc(Cl)cc(F)c1[O-])C1CCOCC1 ZINC000787332434 625001358 /nfs/dbraw/zinc/00/13/58/625001358.db2.gz KQJDUVFUPXAMPD-UHFFFAOYSA-N 0 0 301.789 3.480 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCc1cnoc1 ZINC000880796646 625058304 /nfs/dbraw/zinc/05/83/04/625058304.db2.gz HGIIYVPHDPPOJT-UHFFFAOYSA-N 0 0 315.398 3.116 20 10 DGCDRN CC(=O)CC(C)(C)CC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000788534383 625209146 /nfs/dbraw/zinc/20/91/46/625209146.db2.gz OVQVCWNIRSCIDY-CQSZACIVSA-N 0 0 304.434 3.325 20 10 DGCDRN C[C@@H](O)CCC[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000788603780 625225106 /nfs/dbraw/zinc/22/51/06/625225106.db2.gz DRZCYNAUPRZOPQ-RKDXNWHRSA-N 0 0 320.202 3.105 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1cccc(C(F)(F)F)c1[O-] ZINC000788607655 625226878 /nfs/dbraw/zinc/22/68/78/625226878.db2.gz LYFYOKCYXBNCON-BIMULSAOSA-N 0 0 303.324 3.365 20 10 DGCDRN COCCOC[C@@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788666750 625238909 /nfs/dbraw/zinc/23/89/09/625238909.db2.gz SKVZDPZAYFFOOF-MNOVXSKESA-N 0 0 321.339 3.113 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](CC)[C@@H]1CCCO1 ZINC000128802288 625245601 /nfs/dbraw/zinc/24/56/01/625245601.db2.gz IFJYJRMRMWMMNW-RDJZCZTQSA-N 0 0 320.433 3.271 20 10 DGCDRN COc1cc(NC(=O)NCc2ccccc2O)ccc1Cl ZINC000788757892 625259996 /nfs/dbraw/zinc/25/99/96/625259996.db2.gz LFOOSMKOGMHQQB-UHFFFAOYSA-N 0 0 306.749 3.376 20 10 DGCDRN C[C@H]([NH2+]CCc1cnccn1)c1cccc(C(F)(F)F)c1[O-] ZINC000788797281 625268759 /nfs/dbraw/zinc/26/87/59/625268759.db2.gz KRBNLORSWSEQMC-JTQLQIEISA-N 0 0 311.307 3.094 20 10 DGCDRN C[C@@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)N1CCC[C@H](C)C1 ZINC000790948016 625720292 /nfs/dbraw/zinc/72/02/92/625720292.db2.gz CXXROVPITFBOCN-RYUDHWBXSA-N 0 0 314.832 3.395 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000790947583 625720370 /nfs/dbraw/zinc/72/03/70/625720370.db2.gz SYWBWOJZDKUKRL-JTQLQIEISA-N 0 0 323.751 3.114 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000790966247 625725072 /nfs/dbraw/zinc/72/50/72/625725072.db2.gz CMIMSDNYABIGGI-ZDUSSCGKSA-N 0 0 313.731 3.147 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H](CO)C1CCCCC1 ZINC000790970504 625725799 /nfs/dbraw/zinc/72/57/99/625725799.db2.gz JXKSUFFABZWKOA-ZDUSSCGKSA-N 0 0 301.789 3.216 20 10 DGCDRN O=C1NCc2ccc(NCc3c(O)ccc(Cl)c3F)cc21 ZINC000790984176 625729812 /nfs/dbraw/zinc/72/98/12/625729812.db2.gz SDVBKLLBWVJIFQ-UHFFFAOYSA-N 0 0 306.724 3.040 20 10 DGCDRN CO[C@H](CC[NH2+]Cc1c([O-])ccc(Cl)c1F)C(F)(F)F ZINC000790990944 625732491 /nfs/dbraw/zinc/73/24/91/625732491.db2.gz IIIRWAFRLVNEAC-SNVBAGLBSA-N 0 0 315.694 3.242 20 10 DGCDRN Cc1cc(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)n(C)n1 ZINC000791143601 625755176 /nfs/dbraw/zinc/75/51/76/625755176.db2.gz SDKGDXHCDQSVQY-UHFFFAOYSA-N 0 0 322.412 3.066 20 10 DGCDRN CN(C)[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccsc1 ZINC000882882561 625844839 /nfs/dbraw/zinc/84/48/39/625844839.db2.gz QJNNONVMQRRIDW-AWEZNQCLSA-N 0 0 312.385 3.124 20 10 DGCDRN CC(C)Oc1ncccc1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882894830 625849045 /nfs/dbraw/zinc/84/90/45/625849045.db2.gz ZAARUEGMMAIYBY-UHFFFAOYSA-N 0 0 308.328 3.142 20 10 DGCDRN Oc1c(F)cc(F)cc1CNc1ccc2c(c1)OCCCO2 ZINC000882906924 625853865 /nfs/dbraw/zinc/85/38/65/625853865.db2.gz DCOGBJIGNWBTPJ-UHFFFAOYSA-N 0 0 307.296 3.444 20 10 DGCDRN CC(C)(C)[C@@H](Cn1ccnc1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882910149 625854885 /nfs/dbraw/zinc/85/48/85/625854885.db2.gz LRUFLTROQUFBNG-CQSZACIVSA-N 0 0 309.360 3.071 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@@H](O)c1cccc(F)c1 ZINC000883027693 625901962 /nfs/dbraw/zinc/90/19/62/625901962.db2.gz KQPRPHDSKWXKNP-RFAUZJTJSA-N 0 0 311.303 3.021 20 10 DGCDRN O=C(NCCCSc1nccs1)NCC1(C2CC2)CC1 ZINC000130866642 625912369 /nfs/dbraw/zinc/91/23/69/625912369.db2.gz ZUALSCHDCRYSFJ-UHFFFAOYSA-N 0 0 311.476 3.115 20 10 DGCDRN CC(C)(C)[C@@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C[C@@H]1O ZINC000792174127 625919781 /nfs/dbraw/zinc/91/97/81/625919781.db2.gz LRHISUKEEXDZRQ-RISCZKNCSA-N 0 0 315.816 3.414 20 10 DGCDRN CCn1ccc(C[N@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000792182970 625921397 /nfs/dbraw/zinc/92/13/97/625921397.db2.gz KCAZHHZPQCYGKN-UHFFFAOYSA-N 0 0 323.780 3.407 20 10 DGCDRN CCc1ccc([C@@H](O)C[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC000883116843 625931631 /nfs/dbraw/zinc/93/16/31/625931631.db2.gz HTAJBYUIZPEMBT-INIZCTEOSA-N 0 0 307.340 3.056 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@H](CF)C2)cc1 ZINC000883157560 625946972 /nfs/dbraw/zinc/94/69/72/625946972.db2.gz CALOBYBCNNMWLQ-OAHLLOKOSA-N 0 0 307.413 3.034 20 10 DGCDRN CC(C)(C(=O)NCc1cccc(Br)c1O)C(F)F ZINC000792484361 625948602 /nfs/dbraw/zinc/94/86/02/625948602.db2.gz MYRSIXCCMZIVHA-UHFFFAOYSA-N 0 0 322.149 3.062 20 10 DGCDRN COc1ccc([C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C2CC2)cn1 ZINC000883192102 625964029 /nfs/dbraw/zinc/96/40/29/625964029.db2.gz QUAHFTRSAZZISG-MRXNPFEDSA-N 0 0 320.339 3.315 20 10 DGCDRN COc1ccc(N(CCC(C)C)CCN2CCCC2=O)cc1 ZINC000796506834 626057025 /nfs/dbraw/zinc/05/70/25/626057025.db2.gz ZWHGXWCQBRIDLU-UHFFFAOYSA-N 0 0 304.434 3.170 20 10 DGCDRN CC[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1[O-] ZINC000796735948 626078043 /nfs/dbraw/zinc/07/80/43/626078043.db2.gz BCHONCGTRYXNIP-WCQYABFASA-N 0 0 320.330 3.209 20 10 DGCDRN Cc1cc(C(=O)N[C@H]2CS[C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000839829427 626158038 /nfs/dbraw/zinc/15/80/38/626158038.db2.gz HMHIQRIUNOSONL-GXTWGEPZSA-N 0 0 315.442 3.113 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2CS[C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000839829428 626158194 /nfs/dbraw/zinc/15/81/94/626158194.db2.gz HMHIQRIUNOSONL-JSGCOSHPSA-N 0 0 315.442 3.113 20 10 DGCDRN COc1ccc(CNC(=O)Nc2ccc(C)cc2F)c(O)c1 ZINC000797607446 626159381 /nfs/dbraw/zinc/15/93/81/626159381.db2.gz YXQYDUVTLPLABR-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN COc1ccc(CNC(=O)Nc2c(C)cccc2OC)c(O)c1 ZINC000797650066 626162264 /nfs/dbraw/zinc/16/22/64/626162264.db2.gz BLMGKSRIKPGLOH-UHFFFAOYSA-N 0 0 316.357 3.040 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccn(C(C)C)n1 ZINC000797681728 626163786 /nfs/dbraw/zinc/16/37/86/626163786.db2.gz VMZKLGCQAGDVDZ-UHFFFAOYSA-N 0 0 315.421 3.160 20 10 DGCDRN COc1cccc(CNC(=O)[C@@H]2[C@@H](C)[C@@H]2c2ccccc2)c1O ZINC000797744978 626167126 /nfs/dbraw/zinc/16/71/26/626167126.db2.gz UCKHBWKEUNATNY-JCURWCKSSA-N 0 0 311.381 3.067 20 10 DGCDRN CCc1ccnc(CNC(=S)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000797793622 626169540 /nfs/dbraw/zinc/16/95/40/626169540.db2.gz RNKOTVQCFUQTGD-UHFFFAOYSA-N 0 0 316.386 3.039 20 10 DGCDRN C[C@H]([NH2+]CCCn1ccnc1)c1cccc(C(F)(F)F)c1[O-] ZINC000798179917 626199763 /nfs/dbraw/zinc/19/97/63/626199763.db2.gz SUMFYWWCZQFREY-NSHDSACASA-N 0 0 313.323 3.348 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H](CO)CC1CCCC1 ZINC000798503686 626222173 /nfs/dbraw/zinc/22/21/73/626222173.db2.gz LMOMZLIRVOOKEV-GFCCVEGCSA-N 0 0 315.816 3.463 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cn(C(C)C)cn2)cc1 ZINC000798896894 626255327 /nfs/dbraw/zinc/25/53/27/626255327.db2.gz FNXQZUAKXPKGEO-UHFFFAOYSA-N 0 0 314.433 3.240 20 10 DGCDRN CSCCC[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000798964158 626263782 /nfs/dbraw/zinc/26/37/82/626263782.db2.gz NBBMMYXZOIZVBG-UHFFFAOYSA-N 0 0 304.799 3.139 20 10 DGCDRN COc1ccc2c(c1)CCCCN2Cc1cnc(Cl)cn1 ZINC000799149633 626275475 /nfs/dbraw/zinc/27/54/75/626275475.db2.gz RYJSLAKVZZYKFH-UHFFFAOYSA-N 0 0 303.793 3.482 20 10 DGCDRN C[C@H]1C[C@@H](NCc2ncnn2C(C)(C)C)c2c1c(F)ccc2O ZINC000800500070 626364999 /nfs/dbraw/zinc/36/49/99/626364999.db2.gz PPHKPLPTQWVXOE-CMPLNLGQSA-N 0 0 318.396 3.216 20 10 DGCDRN C[C@H](NC1(C(F)F)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000800503277 626365406 /nfs/dbraw/zinc/36/54/06/626365406.db2.gz QTZOFEDYRISKFO-NSHDSACASA-N 0 0 314.351 3.111 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCOCC(C)C ZINC000839916456 626370481 /nfs/dbraw/zinc/37/04/81/626370481.db2.gz TZBKLNSHBGQWEB-MRXNPFEDSA-N 0 0 320.477 3.171 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccsc1 ZINC000839917041 626370596 /nfs/dbraw/zinc/37/05/96/626370596.db2.gz YHIKYGYPAWMVEL-ZDUSSCGKSA-N 0 0 302.443 3.484 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1=C(C)OCCC1 ZINC000839918509 626371396 /nfs/dbraw/zinc/37/13/96/626371396.db2.gz AJOHSWDZECBTLK-AWEZNQCLSA-N 0 0 316.445 3.193 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ncccc1C ZINC000839920094 626373432 /nfs/dbraw/zinc/37/34/32/626373432.db2.gz KQAIDAFSZAFDRY-HNNXBMFYSA-N 0 0 311.429 3.125 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CCCOC(C)C ZINC000839920695 626373536 /nfs/dbraw/zinc/37/35/36/626373536.db2.gz SJRHPYJWUMAJHR-INIZCTEOSA-N 0 0 320.477 3.313 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@]1(C)CCCCO1 ZINC000839921308 626374011 /nfs/dbraw/zinc/37/40/11/626374011.db2.gz CHKIEOCDLBUWDZ-BEFAXECRSA-N 0 0 318.461 3.067 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1cnn(CC)c1 ZINC000800802405 626375672 /nfs/dbraw/zinc/37/56/72/626375672.db2.gz LEIHPKHDJAVKHR-UHFFFAOYSA-N 0 0 316.405 3.443 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc2n[nH]nc2c1 ZINC000801548200 626409325 /nfs/dbraw/zinc/40/93/25/626409325.db2.gz BPNRDLKHIUHCPX-UHFFFAOYSA-N 0 0 324.384 3.106 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cnc2ccccn12 ZINC000801546526 626409328 /nfs/dbraw/zinc/40/93/28/626409328.db2.gz SFHJMZZIFJOGKP-UHFFFAOYSA-N 0 0 323.396 3.482 20 10 DGCDRN Cc1nc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)co1 ZINC000801617763 626412594 /nfs/dbraw/zinc/41/25/94/626412594.db2.gz PSVFHGSKAKWHHU-UHFFFAOYSA-N 0 0 313.401 3.149 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)c1cn[nH]c1 ZINC000802266690 626439050 /nfs/dbraw/zinc/43/90/50/626439050.db2.gz UHZIFZNJIBFKES-CYBMUJFWSA-N 0 0 316.405 3.188 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCC[C@@H]1CCOC1 ZINC000802287314 626557777 /nfs/dbraw/zinc/55/77/77/626557777.db2.gz DAJNUQDMNVOKSU-OAHLLOKOSA-N 0 0 320.433 3.131 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CSC1(C)C ZINC000802529962 626562876 /nfs/dbraw/zinc/56/28/76/626562876.db2.gz KKFNKGAKCIFXQI-OAHLLOKOSA-N 0 0 321.490 3.178 20 10 DGCDRN CCCN(CCC)c1ccc(C[N@@H+]2CC[C@](F)(CO)C2)cc1 ZINC000802660493 626565836 /nfs/dbraw/zinc/56/58/36/626565836.db2.gz NDDRWJHWZXBAJB-GOSISDBHSA-N 0 0 308.441 3.219 20 10 DGCDRN CCCN(CCC)c1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)cc1 ZINC000802660494 626565915 /nfs/dbraw/zinc/56/59/15/626565915.db2.gz NDDRWJHWZXBAJB-SFHVURJKSA-N 0 0 308.441 3.219 20 10 DGCDRN O=C(NCc1ccccc1O)c1ccc(C(F)(F)F)s1 ZINC000802777562 626571268 /nfs/dbraw/zinc/57/12/68/626571268.db2.gz NATKUWNTZFQLAI-UHFFFAOYSA-N 0 0 301.289 3.403 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)Cc2ccc(F)cc2F)c1 ZINC000131350214 626627462 /nfs/dbraw/zinc/62/74/62/626627462.db2.gz PJZMOFOFXDMVMU-JTQLQIEISA-N 0 0 321.323 3.099 20 10 DGCDRN CO[C@H]1C[C@H](C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000883272091 626631425 /nfs/dbraw/zinc/63/14/25/626631425.db2.gz DBIZOTGPKFOGEA-GMTAPVOTSA-N 0 0 303.324 3.487 20 10 DGCDRN Cc1ccn(-c2ccc(NC(=O)c3ccc(C)c(O)c3O)cc2)n1 ZINC000803816771 626641506 /nfs/dbraw/zinc/64/15/06/626641506.db2.gz NDPINUKTGPSAAO-UHFFFAOYSA-N 0 0 323.352 3.153 20 10 DGCDRN CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCOC1 ZINC000883351568 626656746 /nfs/dbraw/zinc/65/67/46/626656746.db2.gz ICTINGFWERSTQQ-JMSVASOKSA-N 0 0 308.378 3.156 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCC[C@]12CCCO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000883369405 626664350 /nfs/dbraw/zinc/66/43/50/626664350.db2.gz QDLDRRHYQPBNSC-LYRGGWFBSA-N 0 0 306.362 3.053 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)[C@H]1CCCOC1 ZINC000804288950 626666191 /nfs/dbraw/zinc/66/61/91/626666191.db2.gz JKXSYBNGEULDJO-AWEZNQCLSA-N 0 0 318.442 3.407 20 10 DGCDRN Cc1cc2c(cc1C)N(C(=O)c1c[nH]nc1-c1cccnc1)CC2 ZINC000804318394 626668410 /nfs/dbraw/zinc/66/84/10/626668410.db2.gz JSBMDVZECUDBIV-UHFFFAOYSA-N 0 0 318.380 3.291 20 10 DGCDRN CCC[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000131689266 626670154 /nfs/dbraw/zinc/67/01/54/626670154.db2.gz VNAPZEOKSONATP-UHFFFAOYSA-N 0 0 303.233 3.227 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCc2cc(Cl)ccc21 ZINC000804344860 626671830 /nfs/dbraw/zinc/67/18/30/626671830.db2.gz PSVIPEZNSFCOAN-KXFIGUGUSA-N 0 0 315.756 3.354 20 10 DGCDRN CC[C@H](Nc1cccc2c1N(C)C(=O)CO2)c1ccccc1O ZINC000883397147 626672419 /nfs/dbraw/zinc/67/24/19/626672419.db2.gz FLGJEOYLZHOEPC-ZDUSSCGKSA-N 0 0 312.369 3.311 20 10 DGCDRN COc1cc(Br)cc([C@H](C)N[C@H](C)C(F)F)c1O ZINC000883400012 626673026 /nfs/dbraw/zinc/67/30/26/626673026.db2.gz BKZMZZXMOBHRCB-NKWVEPMBSA-N 0 0 324.165 3.468 20 10 DGCDRN CCc1cc(CC)nc(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000804392575 626676118 /nfs/dbraw/zinc/67/61/18/626676118.db2.gz PGUKNWQQFILHGP-UHFFFAOYSA-N 0 0 302.397 3.419 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C)CC(N)=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000806142816 626701749 /nfs/dbraw/zinc/70/17/49/626701749.db2.gz GBZCKEKJYIQFDQ-CPCISQLKSA-N 0 0 305.205 3.004 20 10 DGCDRN CC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806147755 626702515 /nfs/dbraw/zinc/70/25/15/626702515.db2.gz MCVAHGSYARCWAT-PRHODGIISA-N 0 0 319.232 3.216 20 10 DGCDRN CCC[C@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccccn1 ZINC000806317580 626710031 /nfs/dbraw/zinc/71/00/31/626710031.db2.gz JVLIAFFBWMEREG-KRWDZBQOSA-N 0 0 311.429 3.348 20 10 DGCDRN Cc1cc(C(=O)Cn2ccnn2)c(C)n1-c1ccc(C)c(C)c1 ZINC000806573286 626723041 /nfs/dbraw/zinc/72/30/41/626723041.db2.gz HPPOTZNMAODDNI-UHFFFAOYSA-N 0 0 308.385 3.185 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCC3(CCC3)CC2)cc1F ZINC000806634310 626728760 /nfs/dbraw/zinc/72/87/60/626728760.db2.gz JOMOYOLDHGBDHK-UHFFFAOYSA-N 0 0 319.424 3.367 20 10 DGCDRN COc1cc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)ccn1 ZINC000806665029 626729842 /nfs/dbraw/zinc/72/98/42/626729842.db2.gz FXDWLPWMKYBIQF-GFCCVEGCSA-N 0 0 314.389 3.039 20 10 DGCDRN C[C@@H](Cc1cncc2ccccc21)C(=O)NCc1ccccc1O ZINC000806717308 626731374 /nfs/dbraw/zinc/73/13/74/626731374.db2.gz FNHKFUKANMTNGZ-AWEZNQCLSA-N 0 0 320.392 3.435 20 10 DGCDRN C[C@H](NC(=O)NC[C@@H]1CCCSC1)c1ccc(N(C)C)cc1 ZINC000807141358 626747306 /nfs/dbraw/zinc/74/73/06/626747306.db2.gz RTRISJMNAXXUMW-KBPBESRZSA-N 0 0 321.490 3.256 20 10 DGCDRN C[C@H](NC(=O)NC[C@H]1CCCSC1)c1ccc(N(C)C)cc1 ZINC000807141360 626747324 /nfs/dbraw/zinc/74/73/24/626747324.db2.gz RTRISJMNAXXUMW-UONOGXRCSA-N 0 0 321.490 3.256 20 10 DGCDRN C[C@@H](NC(=O)N[C@H]1CCCC1(F)F)c1ccc(N(C)C)cc1 ZINC000807139825 626747496 /nfs/dbraw/zinc/74/74/96/626747496.db2.gz IJFSILBDZDPHLV-RISCZKNCSA-N 0 0 311.376 3.301 20 10 DGCDRN C[C@@H]1C[C@H]1NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000807259790 626751839 /nfs/dbraw/zinc/75/18/39/626751839.db2.gz JTSUUEXSKJDONH-IUODEOHRSA-N 0 0 300.358 3.105 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[C@H]1C ZINC000807557094 626760096 /nfs/dbraw/zinc/76/00/96/626760096.db2.gz UVMHLCJIFOEYDX-RHSMWYFYSA-N 0 0 303.450 3.471 20 10 DGCDRN Cn1cc(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)nn1 ZINC000807922518 626778222 /nfs/dbraw/zinc/77/82/22/626778222.db2.gz SYBJKUBZOKDCBO-UHFFFAOYSA-N 0 0 306.329 3.483 20 10 DGCDRN CC(=O)C(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 ZINC000808022041 626788220 /nfs/dbraw/zinc/78/82/20/626788220.db2.gz HGJXAOLBYFXXQS-UHFFFAOYSA-N 0 0 312.350 3.140 20 10 DGCDRN CC[C@H](OC1CCCCC1)C(=O)NCc1cc(OC)ccc1O ZINC000133459030 626788826 /nfs/dbraw/zinc/78/88/26/626788826.db2.gz LNOHUHMNQKGCEE-KRWDZBQOSA-N 0 0 321.417 3.145 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@H]1Cc2ccc(Cl)cc2C1 ZINC000800017460 626792188 /nfs/dbraw/zinc/79/21/88/626792188.db2.gz KBEBDOGAWKKBFF-HNNXBMFYSA-N 0 0 316.788 3.012 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)C(C)(C)c1ccccc1 ZINC000808095017 626792351 /nfs/dbraw/zinc/79/23/51/626792351.db2.gz ORIKFQDKIJRORW-UHFFFAOYSA-N 0 0 318.413 3.472 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc2ccccn2c1 ZINC000808094987 626792456 /nfs/dbraw/zinc/79/24/56/626792456.db2.gz NAOOSUASONOLKW-UHFFFAOYSA-N 0 0 315.369 3.061 20 10 DGCDRN CCN(C)C(=O)c1cccc(NCc2ccc(N(C)C)cc2)c1 ZINC000808424041 626823051 /nfs/dbraw/zinc/82/30/51/626823051.db2.gz NXYHLWWLJBFLBE-UHFFFAOYSA-N 0 0 311.429 3.457 20 10 DGCDRN C[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)[C@H](O)c1ccccc1 ZINC000808444722 626825204 /nfs/dbraw/zinc/82/52/04/626825204.db2.gz JUOSUVGWJJIVJB-HWPZZCPQSA-N 0 0 309.768 3.396 20 10 DGCDRN CCCCN(C)C[C@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000808454960 626826694 /nfs/dbraw/zinc/82/66/94/626826694.db2.gz RSISFGRFHRFYOR-NSHDSACASA-N 0 0 302.821 3.395 20 10 DGCDRN CC(=O)C(=O)COC(=O)c1cc(C)c(-c2ccc(F)cc2)s1 ZINC000808512946 626834827 /nfs/dbraw/zinc/83/48/27/626834827.db2.gz RTGWENPRSBIOCR-UHFFFAOYSA-N 0 0 320.341 3.178 20 10 DGCDRN CC(=O)C(=O)COC(=O)c1cc(-c2ccc(F)cc2)c(C)s1 ZINC000808526485 626836161 /nfs/dbraw/zinc/83/61/61/626836161.db2.gz QTKKCWZXWCADGR-UHFFFAOYSA-N 0 0 320.341 3.178 20 10 DGCDRN CC(=O)C(=O)COC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 ZINC000808538520 626837771 /nfs/dbraw/zinc/83/77/71/626837771.db2.gz USCMQJNDJCFNQA-UHFFFAOYSA-N 0 0 306.402 3.074 20 10 DGCDRN CC(C)=CCOC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000808536975 626837982 /nfs/dbraw/zinc/83/79/82/626837982.db2.gz ZTDIYLLLRVXOSJ-UHFFFAOYSA-N 0 0 302.399 3.439 20 10 DGCDRN O=C(Cc1ccc(Br)cc1)NCc1ccccc1O ZINC000133777377 626838095 /nfs/dbraw/zinc/83/80/95/626838095.db2.gz XKRBNCBMPYQJIV-UHFFFAOYSA-N 0 0 320.186 3.014 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000808696683 626850599 /nfs/dbraw/zinc/85/05/99/626850599.db2.gz RSUWWPXRIZDQSV-GOSISDBHSA-N 0 0 321.428 3.058 20 10 DGCDRN Cc1cc(Cl)cc([C@H](C)NCc2nnc3n2CCCC3)c1O ZINC000808713711 626853084 /nfs/dbraw/zinc/85/30/84/626853084.db2.gz JRKFVHDZTLXOGG-NSHDSACASA-N 0 0 320.824 3.133 20 10 DGCDRN CC(C)(C)c1cc(O)c(O)c(CN2CCO[C@H](C3CCC3)C2)c1 ZINC000840177114 626913575 /nfs/dbraw/zinc/91/35/75/626913575.db2.gz VCCOGCZQASZCNW-KRWDZBQOSA-N 0 0 319.445 3.396 20 10 DGCDRN FC(F)(F)Oc1ccc2c(c1)CCCN2Cc1cnns1 ZINC000809575475 626921966 /nfs/dbraw/zinc/92/19/66/626921966.db2.gz FRMALNAQGUSFOO-UHFFFAOYSA-N 0 0 315.320 3.390 20 10 DGCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H]2CCC[C@@H]21 ZINC000890235705 626936047 /nfs/dbraw/zinc/93/60/47/626936047.db2.gz OLNZUBGYLBWFQP-ONGXEEELSA-N 0 0 303.383 3.327 20 10 DGCDRN CCN(C)C(=O)c1cccc(NCc2cc(F)ccc2O)c1 ZINC000809726489 626942112 /nfs/dbraw/zinc/94/21/12/626942112.db2.gz OWOSRRQAXJTIBJ-UHFFFAOYSA-N 0 0 302.349 3.235 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C[C@H](O)C(F)(F)F)cc1F ZINC000809750552 626946700 /nfs/dbraw/zinc/94/67/00/626946700.db2.gz AAEMGZQFFNHYGV-AWEZNQCLSA-N 0 0 322.346 3.027 20 10 DGCDRN CCOC(=O)c1cc(NCc2cc(Cl)ccc2O)cn1C ZINC000809755195 626947067 /nfs/dbraw/zinc/94/70/67/626947067.db2.gz HWDUCUFSXYWXEV-UHFFFAOYSA-N 0 0 308.765 3.173 20 10 DGCDRN Cc1ccc(O)c(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000809775599 626950990 /nfs/dbraw/zinc/95/09/90/626950990.db2.gz FKQBRPSBZWHAAI-UHFFFAOYSA-N 0 0 313.184 3.398 20 10 DGCDRN C[S@@](=O)c1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000809793581 626955038 /nfs/dbraw/zinc/95/50/38/626955038.db2.gz HIAPGQHWHMBUGO-HXUWFJFHSA-N 0 0 309.818 3.073 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809913161 626959430 /nfs/dbraw/zinc/95/94/30/626959430.db2.gz XDECNZAFNXMSMS-UHFFFAOYSA-N 0 0 321.720 3.276 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCSC1 ZINC000810112459 626976678 /nfs/dbraw/zinc/97/66/78/626976678.db2.gz VITPZAKOJNMQKL-OAHLLOKOSA-N 0 0 304.459 3.046 20 10 DGCDRN COc1ccc(C[NH2+]Cc2cc(C)ccc2O)c(F)c1OC ZINC000886169638 627116661 /nfs/dbraw/zinc/11/66/61/627116661.db2.gz DNKFSVGDMQLCKT-UHFFFAOYSA-N 0 0 305.349 3.147 20 10 DGCDRN COc1ccccc1OCC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886491896 627152281 /nfs/dbraw/zinc/15/22/81/627152281.db2.gz VUZVEZLEMXXEIY-LBPRGKRZSA-N 0 0 305.349 3.270 20 10 DGCDRN CC(C)CC(=O)N1CCC([NH2+][C@H](C)c2c([O-])cccc2F)CC1 ZINC000886516743 627155373 /nfs/dbraw/zinc/15/53/73/627155373.db2.gz WZYPUSDYXMVYLO-CYBMUJFWSA-N 0 0 322.424 3.219 20 10 DGCDRN C[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1c([O-])cccc1F ZINC000886522758 627156709 /nfs/dbraw/zinc/15/67/09/627156709.db2.gz QIWYIJOLDYAFDG-LLVKDONJSA-N 0 0 312.385 3.097 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1c([O-])cccc1F ZINC000886530518 627157708 /nfs/dbraw/zinc/15/77/08/627157708.db2.gz LWLCOXQIUXBYTG-DZGCQCFKSA-N 0 0 303.377 3.348 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)[C@@H](O)c1cccc(F)c1 ZINC000886550157 627161479 /nfs/dbraw/zinc/16/14/79/627161479.db2.gz TUBJWYYJKLYKPK-WVQJBOLRSA-N 0 0 307.340 3.443 20 10 DGCDRN C[C@@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1c([O-])cccc1F ZINC000886555236 627162274 /nfs/dbraw/zinc/16/22/74/627162274.db2.gz NYEDAIMXKTXIBH-KZULUSFZSA-N 0 0 301.361 3.016 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1c([O-])cccc1F ZINC000886556727 627162383 /nfs/dbraw/zinc/16/23/83/627162383.db2.gz JAMMURQHAOBKMI-WBMJQRKESA-N 0 0 300.377 3.369 20 10 DGCDRN CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886557124 627162906 /nfs/dbraw/zinc/16/29/06/627162906.db2.gz TUOAJIJRGFXKIJ-NSHDSACASA-N 0 0 305.397 3.240 20 10 DGCDRN COCC[C@H](Cc1ccco1)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886587934 627168471 /nfs/dbraw/zinc/16/84/71/627168471.db2.gz IMETYTWDLLCPTI-CHWSQXEVSA-N 0 0 307.365 3.423 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1c([O-])cccc1F ZINC000886601604 627171342 /nfs/dbraw/zinc/17/13/42/627171342.db2.gz XNZMRRNJLJKNKL-WDEREUQCSA-N 0 0 312.385 3.095 20 10 DGCDRN C[C@@H](Nc1ccc(COCCO)cc1)c1c(O)cccc1F ZINC000886629292 627176557 /nfs/dbraw/zinc/17/65/57/627176557.db2.gz AHPVYHFQIKLSOG-GFCCVEGCSA-N 0 0 305.349 3.213 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)[C@@](C)(O)c1ccccc1)c1c([O-])cccc1F ZINC000886631712 627177254 /nfs/dbraw/zinc/17/72/54/627177254.db2.gz UTYMPLHYOQSJHI-ZJNRKIDTSA-N 0 0 303.377 3.478 20 10 DGCDRN C[C@@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1c([O-])cccc1F ZINC000886649474 627180676 /nfs/dbraw/zinc/18/06/76/627180676.db2.gz BRADTHWUDGQRJW-SSDOTTSWSA-N 0 0 317.229 3.354 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)[C@H]2C)O1)c1c([O-])cccc1F ZINC000886769544 627202788 /nfs/dbraw/zinc/20/27/88/627202788.db2.gz WUKFAFRYIWBRRQ-REZKGXPESA-N 0 0 323.408 3.155 20 10 DGCDRN CC[C@H](N[C@@H](CCO)C(F)(F)F)c1cc(Cl)ccc1O ZINC000886801662 627205938 /nfs/dbraw/zinc/20/59/38/627205938.db2.gz QPAGPQJEZANUCE-JQWIXIFHSA-N 0 0 311.731 3.400 20 10 DGCDRN CC(=O)c1cc(F)cc(CN(CC(F)F)C2CCC2)c1O ZINC000887100698 627224792 /nfs/dbraw/zinc/22/47/92/627224792.db2.gz MFJORPMQCVFRDM-UHFFFAOYSA-N 0 0 301.308 3.354 20 10 DGCDRN COc1cc(C)cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)c1O ZINC000887323664 627243566 /nfs/dbraw/zinc/24/35/66/627243566.db2.gz DCBLMTVTLVPAJR-GOSISDBHSA-N 0 0 324.380 3.438 20 10 DGCDRN CCOc1ccc(O)c(CN2CCCN2C(=O)OC(C)(C)C)c1 ZINC000811502946 627282462 /nfs/dbraw/zinc/28/24/62/627282462.db2.gz NUSADTKCCWZTOE-UHFFFAOYSA-N 0 0 322.405 3.149 20 10 DGCDRN C[C@H]1C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCC1(F)F ZINC000811513120 627285542 /nfs/dbraw/zinc/28/55/42/627285542.db2.gz WKLAIXWKIRGWCO-QMMMGPOBSA-N 0 0 320.723 3.431 20 10 DGCDRN COc1ccc(O)c(CNc2cncc(Br)c2)c1 ZINC000301728380 627302064 /nfs/dbraw/zinc/30/20/64/627302064.db2.gz OXADJTRSHUVACM-UHFFFAOYSA-N 0 0 309.163 3.170 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C[C@H]2CCC3(CCC3)CO2)cc1 ZINC000887767535 627321219 /nfs/dbraw/zinc/32/12/19/627321219.db2.gz OQBARQPRLHGMJQ-QGZVFWFLSA-N 0 0 316.445 3.108 20 10 DGCDRN COc1cccc2c(NCCc3ccc(O)c(O)c3)ccnc12 ZINC000811811660 627324351 /nfs/dbraw/zinc/32/43/51/627324351.db2.gz ZQHSSKSEAZNRJB-UHFFFAOYSA-N 0 0 310.353 3.309 20 10 DGCDRN CN(C)c1ccc(CNc2nc3cc(Cl)ccn3n2)cc1F ZINC000811840088 627328358 /nfs/dbraw/zinc/32/83/58/627328358.db2.gz MWGXHPKDGBPAON-UHFFFAOYSA-N 0 0 319.771 3.200 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H](C)C1CC1 ZINC000840243894 627341657 /nfs/dbraw/zinc/34/16/57/627341657.db2.gz QGBPMJXENKBUET-UONOGXRCSA-N 0 0 303.450 3.090 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H](C)C1CC1 ZINC000840243892 627341804 /nfs/dbraw/zinc/34/18/04/627341804.db2.gz QGBPMJXENKBUET-KBPBESRZSA-N 0 0 303.450 3.090 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@H](C3CC3)C2)cc1F ZINC000812018568 627347956 /nfs/dbraw/zinc/34/79/56/627347956.db2.gz SEJMSWQJNXSBAW-OAHLLOKOSA-N 0 0 319.424 3.223 20 10 DGCDRN CC(C)Cn1c(CC2CC2)nnc1N(C)Cc1ccccc1O ZINC000812219743 627360928 /nfs/dbraw/zinc/36/09/28/627360928.db2.gz NVNPDHXKJUJVMT-UHFFFAOYSA-N 0 0 314.433 3.229 20 10 DGCDRN COc1ccc(F)cc1/C=C1/SC(N2CCCCC2)=NC1=O ZINC000812241917 627364021 /nfs/dbraw/zinc/36/40/21/627364021.db2.gz OPRWXGLKRHOWKF-GXDHUFHOSA-N 0 0 320.389 3.291 20 10 DGCDRN Cc1cc(NCCc2ccc(O)c(O)c2)c(F)cc1[N+](=O)[O-] ZINC000812461471 627389417 /nfs/dbraw/zinc/38/94/17/627389417.db2.gz WNHOOOUSDXXNOS-UHFFFAOYSA-N 0 0 306.293 3.108 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CS[C@@H](C)C2)cc1 ZINC000840262032 627409642 /nfs/dbraw/zinc/40/96/42/627409642.db2.gz BVJGCRXEULHJAR-DZGCQCFKSA-N 0 0 321.490 3.226 20 10 DGCDRN Cn1ncc2ccc(C[NH2+]Cc3cccc(Cl)c3[O-])cc21 ZINC000812771251 627418344 /nfs/dbraw/zinc/41/83/44/627418344.db2.gz MKGAWXUMOQAOSV-UHFFFAOYSA-N 0 0 301.777 3.222 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCc1ccoc1 ZINC000840268229 627420904 /nfs/dbraw/zinc/42/09/04/627420904.db2.gz PCDWMCAKPSCSQP-CQSZACIVSA-N 0 0 315.417 3.084 20 10 DGCDRN O=[N+]([O-])c1cnc(NCc2c(O)ccc3c2CCCC3)c(F)c1 ZINC000840268676 627421824 /nfs/dbraw/zinc/42/18/24/627421824.db2.gz MVLRYOYGPQNKJE-UHFFFAOYSA-N 0 0 317.320 3.325 20 10 DGCDRN CCC1(C)CN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000813051828 627443612 /nfs/dbraw/zinc/44/36/12/627443612.db2.gz UNAWVLFXKDJKTK-UHFFFAOYSA-N 0 0 301.434 3.011 20 10 DGCDRN Cc1ccc(CNC(=O)N[C@H](C)c2ccccc2O)c(Cl)n1 ZINC000889764055 627465593 /nfs/dbraw/zinc/46/55/93/627465593.db2.gz PCVNGBUZDSHPTJ-LLVKDONJSA-N 0 0 319.792 3.309 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2CCCCCC(=O)C2)cc1 ZINC000813385932 627485094 /nfs/dbraw/zinc/48/50/94/627485094.db2.gz BTLJHSMQQAMOGD-INIZCTEOSA-N 0 0 316.445 3.251 20 10 DGCDRN CCOc1cccc(CNc2cccc(OC(=O)NC)c2)c1O ZINC000813791925 627512281 /nfs/dbraw/zinc/51/22/81/627512281.db2.gz VRFNSKGVGNNZEF-UHFFFAOYSA-N 0 0 316.357 3.121 20 10 DGCDRN CSC[C@H](C)NC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840306165 627523799 /nfs/dbraw/zinc/52/37/99/627523799.db2.gz RXAPULXOLJEIIU-KBPBESRZSA-N 0 0 323.506 3.043 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2ncccc2Cl)cc1 ZINC000814103552 627542125 /nfs/dbraw/zinc/54/21/25/627542125.db2.gz POHLXFFPKJBIPR-UHFFFAOYSA-N 0 0 303.793 3.073 20 10 DGCDRN Cc1ccc(O)c(CN[C@H](C)c2ncc(Br)cn2)c1 ZINC000814301683 627557899 /nfs/dbraw/zinc/55/78/99/627557899.db2.gz BHGPXEMTEMWXNZ-SNVBAGLBSA-N 0 0 322.206 3.104 20 10 DGCDRN Oc1ccc(CCNc2cncc(-c3cccs3)n2)cc1O ZINC000814858266 627598962 /nfs/dbraw/zinc/59/89/62/627598962.db2.gz RFMHNINVUFTJQV-UHFFFAOYSA-N 0 0 313.382 3.271 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCC[C@@H]1OC ZINC000815131833 627633764 /nfs/dbraw/zinc/63/37/64/627633764.db2.gz NJLRHVVXPJPGON-ROUUACIJSA-N 0 0 318.461 3.306 20 10 DGCDRN CCn1nc(C)c([C@H](C)NCc2ccc(N3CCCC3)cc2)n1 ZINC000924647980 627662214 /nfs/dbraw/zinc/66/22/14/627662214.db2.gz KCHCOHMQEGVFSP-AWEZNQCLSA-N 0 0 313.449 3.057 20 10 DGCDRN COc1cc([C@@H](C)NCc2ccc(N3CCCC3)cc2)on1 ZINC000924646323 627662277 /nfs/dbraw/zinc/66/22/77/627662277.db2.gz AJGJGZWEXXTEFF-CYBMUJFWSA-N 0 0 301.390 3.134 20 10 DGCDRN O=C(NCCCSc1nccs1)c1ncccc1Cl ZINC000815591164 627688952 /nfs/dbraw/zinc/68/89/52/627688952.db2.gz YZUVEKOUHCLLMI-UHFFFAOYSA-N 0 0 313.835 3.104 20 10 DGCDRN C[C@@H]([NH2+]CCc1ccn(C)n1)c1cccc(C(F)(F)F)c1[O-] ZINC000815616297 627691262 /nfs/dbraw/zinc/69/12/62/627691262.db2.gz KWEVFMKHQGGTJM-SNVBAGLBSA-N 0 0 313.323 3.038 20 10 DGCDRN C[C@H]([NH2+][C@@H](CO)CC(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000815620211 627691626 /nfs/dbraw/zinc/69/16/26/627691626.db2.gz KKVCTNYBXVFGKK-JGVFFNPUSA-N 0 0 313.266 3.078 20 10 DGCDRN Cc1nnsc1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815629216 627693013 /nfs/dbraw/zinc/69/30/13/627693013.db2.gz XMBHFZBXDOHOIU-SSDOTTSWSA-N 0 0 317.336 3.422 20 10 DGCDRN COc1ccc(C(=O)N(C)Cc2ccccc2O)cc1Cl ZINC000815796911 627704629 /nfs/dbraw/zinc/70/46/29/627704629.db2.gz SHKTUZYSOACQFU-UHFFFAOYSA-N 0 0 305.761 3.326 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2oc(C(C)C)nc2C)c1 ZINC000815835616 627706788 /nfs/dbraw/zinc/70/67/88/627706788.db2.gz ZFPUZVPMHSFWLM-JTQLQIEISA-N 0 0 318.373 3.312 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1cccc2c1OCCO2 ZINC000816527981 627802727 /nfs/dbraw/zinc/80/27/27/627802727.db2.gz HORLPRAEAPKXED-UHFFFAOYSA-N 0 0 323.751 3.246 20 10 DGCDRN C[C@H](CN1CCC[C@H](C)C1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816538217 627803892 /nfs/dbraw/zinc/80/38/92/627803892.db2.gz JJCPUWWQDWKWGT-NWDGAFQWSA-N 0 0 314.832 3.395 20 10 DGCDRN C[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])N1CCCCC1 ZINC000816536737 627804029 /nfs/dbraw/zinc/80/40/29/627804029.db2.gz IKANQNSZTCIBPJ-NSHDSACASA-N 0 0 300.805 3.149 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000816545493 627805241 /nfs/dbraw/zinc/80/52/41/627805241.db2.gz SGGPBQUEGDJXES-UHFFFAOYSA-N 0 0 307.752 3.409 20 10 DGCDRN CCN1CCCC[C@@H]1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816550551 627805548 /nfs/dbraw/zinc/80/55/48/627805548.db2.gz USXNOWCLFBOXAF-GFCCVEGCSA-N 0 0 300.805 3.149 20 10 DGCDRN C[C@@](CO)([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccccc1 ZINC000816550075 627806203 /nfs/dbraw/zinc/80/62/03/627806203.db2.gz HTIVMHFHGJKBFE-INIZCTEOSA-N 0 0 309.768 3.182 20 10 DGCDRN CC1(C)[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])[C@@H]2CCCO[C@H]21 ZINC000816555143 627806763 /nfs/dbraw/zinc/80/67/63/627806763.db2.gz VJZZNZPZNUWYFT-COLVAYQJSA-N 0 0 313.800 3.478 20 10 DGCDRN Cc1cccc([C@H](O)C[NH2+]Cc2cc(Cl)c(F)cc2[O-])c1 ZINC000816556609 627807430 /nfs/dbraw/zinc/80/74/30/627807430.db2.gz OMRNXLOWWZUPHS-MRXNPFEDSA-N 0 0 309.768 3.316 20 10 DGCDRN COc1c(NCc2ccc3ccccc3c2O)cccc1C(N)=O ZINC000816566862 627808950 /nfs/dbraw/zinc/80/89/50/627808950.db2.gz JKTDELKTKZBADG-UHFFFAOYSA-N 0 0 322.364 3.265 20 10 DGCDRN CN(C)C(=O)c1ccc(NCc2cc(Cl)c(F)cc2O)cc1 ZINC000816598139 627813628 /nfs/dbraw/zinc/81/36/28/627813628.db2.gz QZSKQCINQYTBCH-UHFFFAOYSA-N 0 0 322.767 3.499 20 10 DGCDRN C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816608641 627814489 /nfs/dbraw/zinc/81/44/89/627814489.db2.gz FPDHZYCWPNUNEN-YPMHNXCESA-N 0 0 312.816 3.243 20 10 DGCDRN CCCCN(C)C[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816615098 627815700 /nfs/dbraw/zinc/81/57/00/627815700.db2.gz MWSMQZUHBNSBKC-LLVKDONJSA-N 0 0 302.821 3.395 20 10 DGCDRN COc1c([O-])c(C[NH2+]C2CC(C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000816641653 627817997 /nfs/dbraw/zinc/81/79/97/627817997.db2.gz AWXIZFKYCQDJEL-UHFFFAOYSA-N 0 0 308.378 3.223 20 10 DGCDRN CC(C)[C@]1(CO)CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816662580 627821828 /nfs/dbraw/zinc/82/18/28/627821828.db2.gz SBRIQYCSUSYCKH-MRXNPFEDSA-N 0 0 315.816 3.415 20 10 DGCDRN Cc1ccc(C(=O)NC[C@H]2CCCCC(F)(F)C2)c(O)c1O ZINC000816789537 627830929 /nfs/dbraw/zinc/83/09/29/627830929.db2.gz QSLOLVGXYYMKEN-NSHDSACASA-N 0 0 313.344 3.352 20 10 DGCDRN CNc1ccccc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000816866848 627836653 /nfs/dbraw/zinc/83/66/53/627836653.db2.gz ZCBYYXUUDCLGNW-UHFFFAOYSA-N 0 0 309.413 3.259 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1nc(Cl)sc1Cl ZINC000816889371 627837064 /nfs/dbraw/zinc/83/70/64/627837064.db2.gz VSYGHLAWGOPSAG-UHFFFAOYSA-N 0 0 317.197 3.428 20 10 DGCDRN CC[C@H](O)CNC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000817012337 627845577 /nfs/dbraw/zinc/84/55/77/627845577.db2.gz LGXYPIZFTYJLMV-KRWDZBQOSA-N 0 0 314.429 3.212 20 10 DGCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1nnc(C)o1 ZINC000817299346 627879508 /nfs/dbraw/zinc/87/95/08/627879508.db2.gz YMTBVQSEOONYFL-CQSZACIVSA-N 0 0 301.390 3.222 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1 ZINC000817881157 627952774 /nfs/dbraw/zinc/95/27/74/627952774.db2.gz PEYMUBSSQYOOBA-ZBFHGGJFSA-N 0 0 304.434 3.218 20 10 DGCDRN C[C@H]1C[C@H](C(=O)[O-])C[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000817881998 627953238 /nfs/dbraw/zinc/95/32/38/627953238.db2.gz TXLUJALTDATQPD-RDJZCZTQSA-N 0 0 316.445 3.220 20 10 DGCDRN CC1(NC(=O)c2csc(Cc3ccc(N)cc3)n2)CCCC1 ZINC000817922237 627962258 /nfs/dbraw/zinc/96/22/58/627962258.db2.gz BVYBUJGECBWEQE-UHFFFAOYSA-N 0 0 315.442 3.379 20 10 DGCDRN CC(C)[C@H](C)CNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817950377 627972282 /nfs/dbraw/zinc/97/22/82/627972282.db2.gz UYBMOLFSSQYVFL-GFCCVEGCSA-N 0 0 317.458 3.338 20 10 DGCDRN C[C@@H]1CC[C@H](C)N1C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817960288 627976263 /nfs/dbraw/zinc/97/62/63/627976263.db2.gz LRNNLABSDWRTCY-TXEJJXNPSA-N 0 0 315.442 3.329 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1NCCc2ccccc21)c1ccc(F)cc1[O-] ZINC000817975866 627980738 /nfs/dbraw/zinc/98/07/38/627980738.db2.gz YZGWWVNJTBGFNT-SJKOYZFVSA-N 0 0 300.377 3.069 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1ccc(F)cc1[O-] ZINC000817975865 627981026 /nfs/dbraw/zinc/98/10/26/627981026.db2.gz YZGWWVNJTBGFNT-SJCJKPOMSA-N 0 0 300.377 3.069 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)c1ccc(F)cc1[O-] ZINC000926922757 627982090 /nfs/dbraw/zinc/98/20/90/627982090.db2.gz RRRRPMUGMGXQEN-ZYHUDNBSSA-N 0 0 320.330 3.209 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1ccc(F)cc1[O-] ZINC000927015940 627998383 /nfs/dbraw/zinc/99/83/83/627998383.db2.gz RTKVIWWDSMNCFA-GDBMZVCRSA-N 0 0 323.408 3.300 20 10 DGCDRN CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H](C)c3ccc(F)cc3[O-])C2)n1 ZINC000927054129 628003150 /nfs/dbraw/zinc/00/31/50/628003150.db2.gz USHVZNAZUFWTHT-LOWVWBTDSA-N 0 0 319.380 3.464 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)c1 ZINC000818230259 628007057 /nfs/dbraw/zinc/00/70/57/628007057.db2.gz OXLKQMOHEOUWOH-HZPDHXFCSA-N 0 0 302.305 3.027 20 10 DGCDRN COC(=O)c1cnc([C@@H](C)NCc2cc(C)c(C)cc2O)s1 ZINC000818231505 628007135 /nfs/dbraw/zinc/00/71/35/628007135.db2.gz LKMGULMARNBNEG-LLVKDONJSA-N 0 0 320.414 3.103 20 10 DGCDRN CC(C)[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1cnn(C)c1 ZINC000927069169 628007458 /nfs/dbraw/zinc/00/74/58/628007458.db2.gz LKKLJLGBNNQOSW-BONVTDFDSA-N 0 0 309.360 3.452 20 10 DGCDRN O=C(NCCc1cc2ccccc2s1)c1cccc(O)c1O ZINC000818270668 628009881 /nfs/dbraw/zinc/00/98/81/628009881.db2.gz YSSVVWOBHDOEAO-UHFFFAOYSA-N 0 0 313.378 3.285 20 10 DGCDRN COC(=O)c1cnc([C@H](C)N[C@@H](C)c2ccc(C)cc2O)s1 ZINC000818357039 628017899 /nfs/dbraw/zinc/01/78/99/628017899.db2.gz UUWCWMHQCBWRPC-QWRGUYRKSA-N 0 0 320.414 3.356 20 10 DGCDRN Cc1ccc([C@@H](C)Nc2ccc(COCCO)cc2)c(O)c1 ZINC000818362595 628018993 /nfs/dbraw/zinc/01/89/93/628018993.db2.gz XXXSBRSYJQDRNC-CQSZACIVSA-N 0 0 301.386 3.383 20 10 DGCDRN C[C@@H](NCc1nc2c(s1)COCC2)c1ccc(N(C)C)cc1 ZINC000927117856 628019595 /nfs/dbraw/zinc/01/95/95/628019595.db2.gz QUAUNGCZBSGKIK-GFCCVEGCSA-N 0 0 317.458 3.133 20 10 DGCDRN Cn1c(-c2ccccc2)cnc1SC[C@H]1CCCN(C)C1=O ZINC000818382387 628019777 /nfs/dbraw/zinc/01/97/77/628019777.db2.gz RYXUQVHNRYQBMD-CQSZACIVSA-N 0 0 315.442 3.048 20 10 DGCDRN C[C@@H]([NH2+][C@H]1c2ccccc2CC[C@H]1O)c1cc(F)cc(F)c1[O-] ZINC000927139249 628024612 /nfs/dbraw/zinc/02/46/12/628024612.db2.gz JYBYVRCGTINYCZ-LWNYNHHKSA-N 0 0 319.351 3.369 20 10 DGCDRN C[C@H]([NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1)c1c([O-])cccc1F ZINC000927155882 628028189 /nfs/dbraw/zinc/02/81/89/628028189.db2.gz LYIHXCICMMVEMW-ZUEVXXBESA-N 0 0 315.388 3.275 20 10 DGCDRN CC[C@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)C(C)(C)O ZINC000818580109 628038104 /nfs/dbraw/zinc/03/81/04/628038104.db2.gz BSLFJOLVIXILOF-KRWDZBQOSA-N 0 0 314.429 3.373 20 10 DGCDRN CC(C)C[C@@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000818629943 628045580 /nfs/dbraw/zinc/04/55/80/628045580.db2.gz DWVAKRXSUBFBFX-KJPDOMRESA-N 0 0 304.434 3.102 20 10 DGCDRN CC(C)c1ccccc1N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000818993225 628074926 /nfs/dbraw/zinc/07/49/26/628074926.db2.gz ZAPFJDAXZGGBGB-UHFFFAOYSA-N 0 0 324.380 3.484 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCC1(c2ccccc2)CC1 ZINC000927544005 628076454 /nfs/dbraw/zinc/07/64/54/628076454.db2.gz CMEPCDCMKFLRRC-CLFYSBASSA-N 0 0 323.392 3.349 20 10 DGCDRN CCC[C@H](N1C(=O)CN(Cc2ccccc2O)C1=O)C(C)(C)C ZINC000819168773 628104581 /nfs/dbraw/zinc/10/45/81/628104581.db2.gz CPBMZWFRBKTXPE-HNNXBMFYSA-N 0 0 318.417 3.371 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)C[C@H](C)C3CC3)C2)cc1 ZINC000819582099 628171600 /nfs/dbraw/zinc/17/16/00/628171600.db2.gz HQLDJOURHGBCPZ-LSDHHAIUSA-N 0 0 316.445 3.074 20 10 DGCDRN CCCC[C@H](C)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819591494 628172144 /nfs/dbraw/zinc/17/21/44/628172144.db2.gz SNSCOLOOUXAYCL-HOTGVXAUSA-N 0 0 318.461 3.464 20 10 DGCDRN CC[C@H](C)CC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819589946 628172378 /nfs/dbraw/zinc/17/23/78/628172378.db2.gz UWIUFFBEHAKVGM-GJZGRUSLSA-N 0 0 304.434 3.074 20 10 DGCDRN Cc1ccc(C(=O)NCc2c(O)cccc2F)c(C(C)C)n1 ZINC000928705887 628179529 /nfs/dbraw/zinc/17/95/29/628179529.db2.gz MHGYUFPKYMZTBR-UHFFFAOYSA-N 0 0 302.349 3.288 20 10 DGCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)CC(C)(C)CC ZINC000819696619 628180185 /nfs/dbraw/zinc/18/01/85/628180185.db2.gz YBYOVYSYCXGZHW-UHFFFAOYSA-N 0 0 321.417 3.110 20 10 DGCDRN Cc1nc(C(C)C)sc1C(=O)NCc1c(O)cccc1F ZINC000928710319 628180244 /nfs/dbraw/zinc/18/02/44/628180244.db2.gz BBSJWUYXNQZXMV-UHFFFAOYSA-N 0 0 308.378 3.350 20 10 DGCDRN CC[C@H](NC(=O)C1=CC(=O)CS1)c1cc(F)ccc1OC ZINC000928779241 628186424 /nfs/dbraw/zinc/18/64/24/628186424.db2.gz HMLFPEXCKBGTQH-LBPRGKRZSA-N 0 0 309.362 3.483 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cn(CC)cn2)cc1 ZINC000819975238 628207630 /nfs/dbraw/zinc/20/76/30/628207630.db2.gz ZVNIMUDDLONONO-UHFFFAOYSA-N 0 0 314.433 3.021 20 10 DGCDRN COc1ccc(N2CCN(Cc3cc(C)cc(C)n3)CC2)cc1 ZINC000929152949 628217419 /nfs/dbraw/zinc/21/74/19/628217419.db2.gz KEQYWSJXHHWDHQ-UHFFFAOYSA-N 0 0 311.429 3.029 20 10 DGCDRN C[C@H]1CCC[C@H](C)C1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820055072 628218635 /nfs/dbraw/zinc/21/86/35/628218635.db2.gz JDAAEYYEPXCHTA-QWRGUYRKSA-N 0 0 302.378 3.404 20 10 DGCDRN CSCC[C@@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820123344 628227806 /nfs/dbraw/zinc/22/78/06/628227806.db2.gz QFBOMLLOOOITIW-SNVBAGLBSA-N 0 0 308.407 3.063 20 10 DGCDRN CCN(CC(C)=O)C(=O)c1sccc1-n1c(C)ccc1C ZINC000820453409 628260295 /nfs/dbraw/zinc/26/02/95/628260295.db2.gz GWGOZPPDGYTWET-UHFFFAOYSA-N 0 0 304.415 3.207 20 10 DGCDRN CCOC(=O)c1cnc(SCC(=O)Nc2ccccc2)s1 ZINC000820685253 628286741 /nfs/dbraw/zinc/28/67/41/628286741.db2.gz CIWYBCMVLNBPCB-UHFFFAOYSA-N 0 0 322.411 3.051 20 10 DGCDRN Cc1ccoc1CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000821032807 628328761 /nfs/dbraw/zinc/32/87/61/628328761.db2.gz HHUZAEFAXFHDKU-UHFFFAOYSA-N 0 0 312.413 3.388 20 10 DGCDRN CO[C@H]1CC[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000821033045 628328875 /nfs/dbraw/zinc/32/88/75/628328875.db2.gz KAYJMVMIIFIWON-QAPCUYQASA-N 0 0 316.445 3.059 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)c2ncccc2F)C2CC2)cc1 ZINC000821033496 628328921 /nfs/dbraw/zinc/32/89/21/628328921.db2.gz UDYNWAXYWGTIKR-UHFFFAOYSA-N 0 0 313.376 3.092 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCCC(F)(F)C2)cc1 ZINC000821051062 628331878 /nfs/dbraw/zinc/33/18/78/628331878.db2.gz WMBXHRVYLPSMAB-NSHDSACASA-N 0 0 310.304 3.157 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CS[C@@H](C)C1 ZINC000840416754 628344040 /nfs/dbraw/zinc/34/40/40/628344040.db2.gz MSSSTGBABKMUAF-DZGCQCFKSA-N 0 0 321.490 3.178 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C1(OC)CCC1 ZINC000840455349 628352572 /nfs/dbraw/zinc/35/25/72/628352572.db2.gz YNHVSRGCKWGZGT-AWEZNQCLSA-N 0 0 320.433 3.271 20 10 DGCDRN CCN(C(=O)C1=CC(=O)CS1)c1ccc(OC)c(OC)c1 ZINC000821438707 628368731 /nfs/dbraw/zinc/36/87/31/628368731.db2.gz OXHUXCDCIYOYNS-UHFFFAOYSA-N 0 0 307.371 3.138 20 10 DGCDRN COc1cccc(CNC(=O)NCc2cc(C)cc(C)c2)c1O ZINC000821742866 628394201 /nfs/dbraw/zinc/39/42/01/628394201.db2.gz PEWOCPWSIZZURI-UHFFFAOYSA-N 0 0 314.385 3.017 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)C1CC2(CC2(F)F)C1 ZINC000821841472 628402314 /nfs/dbraw/zinc/40/23/14/628402314.db2.gz CEOPOWOOLFITTH-UHFFFAOYSA-N 0 0 320.383 3.338 20 10 DGCDRN CO[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)C1CCCC1 ZINC000821841828 628402510 /nfs/dbraw/zinc/40/25/10/628402510.db2.gz GEQPGJRKZVXBQK-SFHVURJKSA-N 0 0 316.445 3.108 20 10 DGCDRN CC(C)(C)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000821875558 628406863 /nfs/dbraw/zinc/40/68/63/628406863.db2.gz LLEOMYPTBFMYSC-GFCCVEGCSA-N 0 0 302.378 3.357 20 10 DGCDRN Cc1ncccc1/C=C\C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000822495522 628457692 /nfs/dbraw/zinc/45/76/92/628457692.db2.gz JAWOJBAYXVWVOQ-FLIBITNWSA-N 0 0 321.424 3.320 20 10 DGCDRN CC[C@@](C)(C(=O)OC)[N@@H+](Cc1cc(C)ccc1O)CC1CC1 ZINC000822503542 628458307 /nfs/dbraw/zinc/45/83/07/628458307.db2.gz IHWYNCNYAVTNSX-SFHVURJKSA-N 0 0 305.418 3.254 20 10 DGCDRN C[N@@H+]1C[C@@H]2CCCN(Cc3cc(Cl)cc(Cl)c3[O-])[C@@H]2C1 ZINC000822520455 628460666 /nfs/dbraw/zinc/46/06/66/628460666.db2.gz CBBHWVPWDBSEHH-IINYFYTJSA-N 0 0 315.244 3.225 20 10 DGCDRN CCC(CC)NC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000822579602 628467438 /nfs/dbraw/zinc/46/74/38/628467438.db2.gz GGBHWGIFDYGGNK-CQSZACIVSA-N 0 0 319.449 3.009 20 10 DGCDRN CCOC1(C(=O)NCc2ccc(N(CC)CC)cc2)CCC1 ZINC000822607819 628470466 /nfs/dbraw/zinc/47/04/66/628470466.db2.gz NQJBXUSAAYGXFS-UHFFFAOYSA-N 0 0 304.434 3.108 20 10 DGCDRN CC/C(C)=C\C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000822786213 628494840 /nfs/dbraw/zinc/49/48/40/628494840.db2.gz NHJOKWINKBESGV-PLFFATQSSA-N 0 0 302.418 3.057 20 10 DGCDRN Cc1ccc(F)c(CC(=O)NCCCSc2nccs2)c1 ZINC000823297882 628547582 /nfs/dbraw/zinc/54/75/82/628547582.db2.gz KTMGUFHWYDSIFZ-UHFFFAOYSA-N 0 0 324.446 3.432 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@H]1C(C)C ZINC000840478697 628551750 /nfs/dbraw/zinc/55/17/50/628551750.db2.gz BJAGFOKZJSWPIK-YJBOKZPZSA-N 0 0 317.477 3.432 20 10 DGCDRN CCn1cc(N(CC(C)C)C(=O)/C=C\c2scnc2C)cn1 ZINC000823430425 628561318 /nfs/dbraw/zinc/56/13/18/628561318.db2.gz MSQKJMUWALQQLU-SREVYHEPSA-N 0 0 318.446 3.370 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC(C(C)C)C1 ZINC000840482029 628590666 /nfs/dbraw/zinc/59/06/66/628590666.db2.gz RKHFTUXSUIWKSM-HNNXBMFYSA-N 0 0 317.477 3.289 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2C[C@H]2C2CCC2)c1 ZINC000823769946 628594823 /nfs/dbraw/zinc/59/48/23/628594823.db2.gz KJCRWKNKLJATFG-RBOXIYTFSA-N 0 0 318.417 3.197 20 10 DGCDRN O=C(C[C@H]1CC[C@@H](C2CC2)O1)NCc1cc(Cl)ccc1O ZINC000823985818 628615876 /nfs/dbraw/zinc/61/58/76/628615876.db2.gz CVOLQRFHTNLDIT-HIFRSBDPSA-N 0 0 309.793 3.010 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NOCC2CCC2)cc1 ZINC000824032109 628620741 /nfs/dbraw/zinc/62/07/41/628620741.db2.gz AFFMRIDOVFOUCI-UHFFFAOYSA-N 0 0 305.422 3.064 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](OC)C1CCCC1 ZINC000824234312 628641188 /nfs/dbraw/zinc/64/11/88/628641188.db2.gz HWTUODSSJXMRLC-SFHVURJKSA-N 0 0 318.461 3.306 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000824245986 628642554 /nfs/dbraw/zinc/64/25/54/628642554.db2.gz GAAQARKUWJXDNQ-CQSZACIVSA-N 0 0 322.315 3.110 20 10 DGCDRN Cc1ccncc1CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000824262573 628644906 /nfs/dbraw/zinc/64/49/06/628644906.db2.gz ZFLDNHRVCYHTJD-UHFFFAOYSA-N 0 0 323.440 3.239 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000824716374 628687169 /nfs/dbraw/zinc/68/71/69/628687169.db2.gz SZMAHFNHAMQRBC-BPLDGKMQSA-N 0 0 313.800 3.310 20 10 DGCDRN COc1ccc2c(c1)CN(Cc1ccc(N(C)C)cc1)CCO2 ZINC000824909011 628704784 /nfs/dbraw/zinc/70/47/84/628704784.db2.gz HNAGWKPRSDHCRO-UHFFFAOYSA-N 0 0 312.413 3.156 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Nc2ccn(CC)n2)cc1 ZINC000824913404 628705691 /nfs/dbraw/zinc/70/56/91/628705691.db2.gz RPUCGGNIWXZCIO-UHFFFAOYSA-N 0 0 315.421 3.071 20 10 DGCDRN C[C@@]1(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1(Cl)Cl ZINC000824971035 628711982 /nfs/dbraw/zinc/71/19/82/628711982.db2.gz NUOVUPIOWKBDAH-GFCCVEGCSA-N 0 0 319.188 3.364 20 10 DGCDRN C[C@H](O)CN(Cc1cc(Cl)cc(Cl)c1[O-])CC(F)F ZINC000825098788 628727360 /nfs/dbraw/zinc/72/73/60/628727360.db2.gz OKFBPVWNHBDXBC-ZETCQYMHSA-N 0 0 314.159 3.147 20 10 DGCDRN CCn1cc([C@@H](C)[NH2+]Cc2cccc(Br)c2[O-])cn1 ZINC000825129716 628731363 /nfs/dbraw/zinc/73/13/63/628731363.db2.gz BKTTZBCXQMUJEZ-SNVBAGLBSA-N 0 0 324.222 3.222 20 10 DGCDRN CN(C)c1ccc(CN(C)Cc2csc(C(C)(C)O)n2)cc1 ZINC000825148070 628732235 /nfs/dbraw/zinc/73/22/35/628732235.db2.gz PIVTUBDQTXSNSG-UHFFFAOYSA-N 0 0 319.474 3.069 20 10 DGCDRN CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000825284229 628746872 /nfs/dbraw/zinc/74/68/72/628746872.db2.gz ICEYJYSBZAVNON-CHWSQXEVSA-N 0 0 314.223 3.202 20 10 DGCDRN CC1(C)CCCN1CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000825331451 628750684 /nfs/dbraw/zinc/75/06/84/628750684.db2.gz GKWUONFEVXUEFA-UHFFFAOYSA-N 0 0 300.805 3.149 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)C(C)=C3CCC3)CC2)cc1 ZINC000825373641 628755028 /nfs/dbraw/zinc/75/50/28/628755028.db2.gz OJOMHGIEXCRIQR-UHFFFAOYSA-N 0 0 314.429 3.234 20 10 DGCDRN Cc1cc(O)c(CN[C@@H](C)c2nnc(C(C)C)[nH]2)cc1Cl ZINC000825396786 628757672 /nfs/dbraw/zinc/75/76/72/628757672.db2.gz XTOJUDWWLFYQFR-JTQLQIEISA-N 0 0 308.813 3.446 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCN(C(=O)[O-])C1)c1ccc(N2CCCCC2)cc1 ZINC000825480287 628765940 /nfs/dbraw/zinc/76/59/40/628765940.db2.gz VPJMILZODCFCIV-GOEBONIOSA-N 0 0 317.433 3.080 20 10 DGCDRN C[C@@H]1CN(Cc2ccc(Br)cc2O)[C@H](C)[C@@H](C)O1 ZINC000825634621 628779789 /nfs/dbraw/zinc/77/97/89/628779789.db2.gz PAXHMMUAVVHZFN-GMTAPVOTSA-N 0 0 314.223 3.152 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCS[C@@H]2C)cc1 ZINC000825721625 628790517 /nfs/dbraw/zinc/79/05/17/628790517.db2.gz QNJMMXDRZRHBRI-CZUORRHYSA-N 0 0 321.490 3.226 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2(C(F)(F)F)CCC2)c1 ZINC000825736516 628792962 /nfs/dbraw/zinc/79/29/62/628792962.db2.gz BFHDOCMHSYFMHS-SECBINFHSA-N 0 0 317.307 3.311 20 10 DGCDRN CN(Cc1ccccc1O)c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000825880807 628805997 /nfs/dbraw/zinc/80/59/97/628805997.db2.gz HOJGBDKHMDLBDJ-UHFFFAOYSA-N 0 0 313.357 3.211 20 10 DGCDRN Cc1cc(O)c(CNc2ccc(C3(O)COC3)cc2)cc1Cl ZINC000825939613 628812514 /nfs/dbraw/zinc/81/25/14/628812514.db2.gz DCHCTPPLMGLNDO-UHFFFAOYSA-N 0 0 319.788 3.184 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)/C=C\c1cccnc1C ZINC000825981581 628817509 /nfs/dbraw/zinc/81/75/09/628817509.db2.gz VUFLLOUNLDXVAO-NTMALXAHSA-N 0 0 309.413 3.094 20 10 DGCDRN CC[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2O)CCO1 ZINC000826130729 628830045 /nfs/dbraw/zinc/83/00/45/628830045.db2.gz LWQALGGVNSRJCB-OLZOCXBDSA-N 0 0 314.223 3.202 20 10 DGCDRN CC[C@H](COCC1CC1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000826866834 628897371 /nfs/dbraw/zinc/89/73/71/628897371.db2.gz FPFSHFJPDBAKEJ-CYBMUJFWSA-N 0 0 301.789 3.480 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000827151760 628928998 /nfs/dbraw/zinc/92/89/98/628928998.db2.gz JFWBTXQSQFTXOI-OAHLLOKOSA-N 0 0 316.228 3.436 20 10 DGCDRN CCN(CC)c1ccc(C[N@H+](C)CC2=CCCOC2)cc1F ZINC000827185264 628933913 /nfs/dbraw/zinc/93/39/13/628933913.db2.gz QABLGZCHWFRRMO-UHFFFAOYSA-N 0 0 306.425 3.450 20 10 DGCDRN CCc1cccc(CNc2cccc3c2CCN(C)C3=O)c1O ZINC000827321468 628949210 /nfs/dbraw/zinc/94/92/10/628949210.db2.gz PMBQJTWXECZDLE-UHFFFAOYSA-N 0 0 310.397 3.195 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(C)c(N)c2)cc1 ZINC000827341031 628950908 /nfs/dbraw/zinc/95/09/08/628950908.db2.gz QLWXIFNMSBJNTF-UHFFFAOYSA-N 0 0 311.429 3.353 20 10 DGCDRN CC1(C)OCc2c1nc(Cl)nc2NCc1ccccc1O ZINC000827506402 628965984 /nfs/dbraw/zinc/96/59/84/628965984.db2.gz QLYWZQLWYRKACP-UHFFFAOYSA-N 0 0 305.765 3.213 20 10 DGCDRN CC(C)[C@H](O)[C@H]([NH2+]Cc1cccc(F)c1[O-])c1ccccc1 ZINC000827526506 628968013 /nfs/dbraw/zinc/96/80/13/628968013.db2.gz MKTDYLXUPWSHIM-SJORKVTESA-N 0 0 303.377 3.379 20 10 DGCDRN CCOC(=O)c1csc(NCc2ccc(N(C)C)cc2C)n1 ZINC000827636483 628978857 /nfs/dbraw/zinc/97/88/57/628978857.db2.gz UNFZASTXCGSSHX-UHFFFAOYSA-N 0 0 319.430 3.306 20 10 DGCDRN CCO[C@H](C)c1ncc(C(=O)N[C@H](C)c2ccccc2O)s1 ZINC000827937153 629005584 /nfs/dbraw/zinc/00/55/84/629005584.db2.gz MCGVLCZXNNOVOZ-GHMZBOCLSA-N 0 0 320.414 3.437 20 10 DGCDRN Cc1nn(C(C)(C)C)cc1C(=O)N[C@H](C)c1ccccc1O ZINC000827940875 629005929 /nfs/dbraw/zinc/00/59/29/629005929.db2.gz JRIMPPVDNQQEMP-LLVKDONJSA-N 0 0 301.390 3.143 20 10 DGCDRN Cc1c(C(=O)N[C@H](C)c2ccccc2O)cnn1CC(C)C ZINC000827941833 629006086 /nfs/dbraw/zinc/00/60/86/629006086.db2.gz YTGOFJYHEPBPAB-GFCCVEGCSA-N 0 0 301.390 3.044 20 10 DGCDRN Cc1nc(CC(C)C)oc1C(=O)N[C@H](C)c1ccccc1O ZINC000827946966 629006610 /nfs/dbraw/zinc/00/66/10/629006610.db2.gz WFUDMHUFPAABHX-LLVKDONJSA-N 0 0 302.374 3.378 20 10 DGCDRN C[C@@H](NC(=O)CCc1cccnc1Cl)c1ccccc1O ZINC000827955600 629007584 /nfs/dbraw/zinc/00/75/84/629007584.db2.gz BGEOROUMULCKGJ-LLVKDONJSA-N 0 0 304.777 3.251 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)Cc1ccco1 ZINC000827956097 629007723 /nfs/dbraw/zinc/00/77/23/629007723.db2.gz NZMQNENWFRFMJH-CQSZACIVSA-N 0 0 300.402 3.149 20 10 DGCDRN C[C@H](NC(=O)[C@@]1(C)CC(c2ccccc2)=NO1)c1ccccc1O ZINC000827960859 629008072 /nfs/dbraw/zinc/00/80/72/629008072.db2.gz XXYBEAJBPVEKAJ-ORAYPTAESA-N 0 0 324.380 3.153 20 10 DGCDRN CCOc1ccc(CN2C[C@@H](C)O[C@@](C)(C(F)F)C2)c(O)c1 ZINC000827962067 629008749 /nfs/dbraw/zinc/00/87/49/629008749.db2.gz FKKHQPLMAKTEEG-BDJLRTHQSA-N 0 0 315.360 3.035 20 10 DGCDRN Cc1ccc([C@H](C)[C@H](O)C(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000827969635 629009254 /nfs/dbraw/zinc/00/92/54/629009254.db2.gz QFNBNZCUQTWZIP-DEYYWGMASA-N 0 0 313.397 3.042 20 10 DGCDRN CCCn1ncc(C(=O)N[C@@H](C)c2ccccc2O)c1C1CC1 ZINC000827969657 629009420 /nfs/dbraw/zinc/00/94/20/629009420.db2.gz QLGQQNPHXLVHGK-LBPRGKRZSA-N 0 0 313.401 3.367 20 10 DGCDRN C[C@H](NC(=O)[C@H]1C[C@]12CCc1ccccc12)c1ccccc1O ZINC000827973043 629009755 /nfs/dbraw/zinc/00/97/55/629009755.db2.gz GVJBVTJWEPYDJL-ZLXGRDSLSA-N 0 0 307.393 3.474 20 10 DGCDRN CC[C@@H](C(=O)N[C@@H](C)c1ccccc1O)c1c(C)noc1C ZINC000827978238 629010450 /nfs/dbraw/zinc/01/04/50/629010450.db2.gz LRBMRAQOLVUUNU-GXFFZTMASA-N 0 0 302.374 3.368 20 10 DGCDRN C[C@H](NC(=O)C[C@H]1OCCc2ccccc21)c1ccccc1O ZINC000827978403 629010482 /nfs/dbraw/zinc/01/04/82/629010482.db2.gz RQSNNWLPAZPCAO-SCLBCKFNSA-N 0 0 311.381 3.274 20 10 DGCDRN COc1ccc(N(Cc2cn(CC3CC3)nn2)C(C)C)cc1F ZINC000828267573 629040025 /nfs/dbraw/zinc/04/00/25/629040025.db2.gz JWZFDSOZFIXRON-UHFFFAOYSA-N 0 0 318.396 3.251 20 10 DGCDRN Cc1cc(CN2CCc3c[nH]nc3C2)ccc1N1CCCCC1 ZINC000828461338 629056487 /nfs/dbraw/zinc/05/64/87/629056487.db2.gz SWVXAJWWQNBACQ-UHFFFAOYSA-N 0 0 310.445 3.267 20 10 DGCDRN CCc1cc(C(=O)N[C@H](C)c2ccccc2O)cc(Cl)n1 ZINC000828539628 629064449 /nfs/dbraw/zinc/06/44/49/629064449.db2.gz RLPQVVHALOJYBG-SNVBAGLBSA-N 0 0 304.777 3.494 20 10 DGCDRN COc1cc2c(c(OC)c1)N(CCC[C@@H]1CCOC1)CCC2 ZINC000828627518 629076738 /nfs/dbraw/zinc/07/67/38/629076738.db2.gz WIGOYSJNZBHICH-CQSZACIVSA-N 0 0 305.418 3.273 20 10 DGCDRN COC(=O)COc1ccc(N(C)C[C@H]2CCC(F)(F)C2)cc1 ZINC000828791512 629093113 /nfs/dbraw/zinc/09/31/13/629093113.db2.gz VKPHPTJJAFVAEM-LBPRGKRZSA-N 0 0 313.344 3.110 20 10 DGCDRN CC[C@H](CC(F)(F)F)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000828884361 629104786 /nfs/dbraw/zinc/10/47/86/629104786.db2.gz AIQREVDXKCPABK-MWLCHTKSSA-N 0 0 319.323 3.124 20 10 DGCDRN Cc1cc(CN2C[C@H](O)CC(F)(F)C2)ccc1N1CCCCC1 ZINC000829151702 629135784 /nfs/dbraw/zinc/13/57/84/629135784.db2.gz MIONYTOAVRWUIA-MRXNPFEDSA-N 0 0 324.415 3.187 20 10 DGCDRN COc1ccc(C[NH2+]C[C@@H](NC(=O)[O-])c2ccccc2)cc1C ZINC000829390133 629154967 /nfs/dbraw/zinc/15/49/67/629154967.db2.gz YTGWBTAGADHSAQ-MRXNPFEDSA-N 0 0 314.385 3.102 20 10 DGCDRN CCCCN(Cc1cn(CC2CC2)nn1)Cc1ccccc1O ZINC000829515944 629165425 /nfs/dbraw/zinc/16/54/25/629165425.db2.gz KGXPZYUKBARQHR-UHFFFAOYSA-N 0 0 314.433 3.196 20 10 DGCDRN Cc1ccccc1C[C@H]1CCCN1C(=O)Cc1ccc(N)cc1 ZINC000829660803 629180122 /nfs/dbraw/zinc/18/01/22/629180122.db2.gz FHFCYSXNOCALPB-LJQANCHMSA-N 0 0 308.425 3.353 20 10 DGCDRN CCOc1ccc(O)c(C[NH2+]C2(CC(=O)[O-])CCCCC2)c1 ZINC000830084658 629223566 /nfs/dbraw/zinc/22/35/66/629223566.db2.gz IYBDYMQVYRNVFK-UHFFFAOYSA-N 0 0 307.390 3.058 20 10 DGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCCF ZINC000830149602 629231216 /nfs/dbraw/zinc/23/12/16/629231216.db2.gz HKTMFGCVKZBMOQ-UHFFFAOYSA-N 0 0 318.186 3.253 20 10 DGCDRN CC(C)(C)OC(=O)[C@H](C(=O)NCc1ccccc1O)C(C)(C)C ZINC000830526393 629281108 /nfs/dbraw/zinc/28/11/08/629281108.db2.gz LCAORPODIIJZER-AWEZNQCLSA-N 0 0 321.417 3.012 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)c1 ZINC000830544433 629282362 /nfs/dbraw/zinc/28/23/62/629282362.db2.gz PVBWOGHDVHCUJO-QLPKVWCKSA-N 0 0 303.402 3.233 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1nccc2occc21 ZINC000830559683 629284075 /nfs/dbraw/zinc/28/40/75/629284075.db2.gz SKAZPHBILIGIMM-UHFFFAOYSA-N 0 0 322.364 3.342 20 10 DGCDRN O=C(OC1CCCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000830599631 629287263 /nfs/dbraw/zinc/28/72/63/629287263.db2.gz UKNKMQZBJBQLIO-INIZCTEOSA-N 0 0 319.401 3.452 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CCCC[C@@H]2C2CCC2)cc1 ZINC000831178105 629346770 /nfs/dbraw/zinc/34/67/70/629346770.db2.gz IGFYDCUDSPUPSA-QGZVFWFLSA-N 0 0 301.434 3.176 20 10 DGCDRN CCCOc1ccc2c(c1)CCN(C(=O)Cc1ccc(N)cc1)C2 ZINC000831421813 629375624 /nfs/dbraw/zinc/37/56/24/629375624.db2.gz QVZADKXNCOIUNA-UHFFFAOYSA-N 0 0 324.424 3.185 20 10 DGCDRN C[C@@]1(CNC(=O)Cc2ccc(N)cc2)CCCc2ccccc21 ZINC000831509784 629384256 /nfs/dbraw/zinc/38/42/56/629384256.db2.gz HNBRXJVMMJAHOR-FQEVSTJZSA-N 0 0 308.425 3.222 20 10 DGCDRN COc1ccc(N(C[C@H](O)CC(F)(F)F)CC2CC2)cc1 ZINC000831587804 629393486 /nfs/dbraw/zinc/39/34/86/629393486.db2.gz MHRZKHSTLBZTQV-CYBMUJFWSA-N 0 0 303.324 3.225 20 10 DGCDRN Nc1ccc(CC(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000831959923 629431389 /nfs/dbraw/zinc/43/13/89/629431389.db2.gz BZZWVNIDSXJYCJ-QAPCUYQASA-N 0 0 312.388 3.403 20 10 DGCDRN CC(C)[C@H](CNC(=O)Cc1ccc(N)cc1)Cc1ccccc1 ZINC000832172820 629448331 /nfs/dbraw/zinc/44/83/31/629448331.db2.gz KPYYUNYIKILRTF-SFHVURJKSA-N 0 0 310.441 3.442 20 10 DGCDRN C[C@@H](CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@H]1CCCO1 ZINC000832435575 629479294 /nfs/dbraw/zinc/47/92/94/629479294.db2.gz CGJQHMLTMJWYKQ-GRDNDAEWSA-N 0 0 304.434 3.135 20 10 DGCDRN C[C@@H](NC(=O)[C@@H]1C[C@H]1OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000832435734 629479969 /nfs/dbraw/zinc/47/99/69/629479969.db2.gz DJLVLLJBAAGCKM-DAXOMENPSA-N 0 0 304.434 3.133 20 10 DGCDRN Cc1nc(C(C)C)sc1C(=O)NCCc1ccc(N)cc1 ZINC000832652988 629502346 /nfs/dbraw/zinc/50/23/46/629502346.db2.gz NJBASVRMTDKRPJ-UHFFFAOYSA-N 0 0 303.431 3.130 20 10 DGCDRN CC[C@H](CO)N(C)C(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000833336924 629587457 /nfs/dbraw/zinc/58/74/57/629587457.db2.gz JSHNBZBBRBGOKF-MRXNPFEDSA-N 0 0 314.429 3.245 20 10 DGCDRN CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000833662664 629637709 /nfs/dbraw/zinc/63/77/09/629637709.db2.gz JQQXWEIIDKEWRS-AWEZNQCLSA-N 0 0 321.417 3.114 20 10 DGCDRN COc1ccc(O)c([C@@H](C)[NH2+][C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000833733369 629644377 /nfs/dbraw/zinc/64/43/77/629644377.db2.gz FQISFHJADXDBRT-HWPZZCPQSA-N 0 0 319.332 3.016 20 10 DGCDRN COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C(=O)[O-])s2)c1 ZINC000833733807 629644555 /nfs/dbraw/zinc/64/45/55/629644555.db2.gz QSMHJHCWWVSECV-SECBINFHSA-N 0 0 307.371 3.011 20 10 DGCDRN COc1cc(F)cc(/C=C2/SC(N3CCCCC3)=NC2=O)c1 ZINC000834409279 629706495 /nfs/dbraw/zinc/70/64/95/629706495.db2.gz SYCLZYKGSXTKJZ-NTEUORMPSA-N 0 0 320.389 3.291 20 10 DGCDRN O=C(NCc1cccc(Br)c1O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000834475815 629715834 /nfs/dbraw/zinc/71/58/34/629715834.db2.gz DZGUQJMTOMLCQP-MVWJERBFSA-N 0 0 324.218 3.207 20 10 DGCDRN Cc1c(N[C@@H]2CCc3cccc(O)c32)cccc1N1CCNC1=O ZINC000834787466 629780472 /nfs/dbraw/zinc/78/04/72/629780472.db2.gz MENZERCMOBZQLG-OAHLLOKOSA-N 0 0 323.396 3.330 20 10 DGCDRN CC[C@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(F)F ZINC000834828155 629785444 /nfs/dbraw/zinc/78/54/44/629785444.db2.gz PUZXCIVTKABKLP-RISCZKNCSA-N 0 0 316.367 3.357 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCCC2(F)F)c1 ZINC000834885417 629797681 /nfs/dbraw/zinc/79/76/81/629797681.db2.gz KNQJSNDTLOTUDY-PWSUYJOCSA-N 0 0 313.344 3.265 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](C)CC(=O)NC)c1cc(Cl)cc(Cl)c1[O-] ZINC000834901566 629802870 /nfs/dbraw/zinc/80/28/70/629802870.db2.gz WASNRZSGGUGERC-QPUJVOFHSA-N 0 0 319.232 3.264 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)c1ccc(F)cc1[O-] ZINC000834903102 629803786 /nfs/dbraw/zinc/80/37/86/629803786.db2.gz IGRUHGSZENKZNQ-WPKBUWHJSA-N 0 0 316.376 3.497 20 10 DGCDRN CN(C)c1ccc(/C=C/CN(C)CC(=O)OC(C)(C)C)cc1 ZINC000835026790 629827609 /nfs/dbraw/zinc/82/76/09/629827609.db2.gz HSUUKVOQKYLWCK-BQYQJAHWSA-N 0 0 304.434 3.039 20 10 DGCDRN CN(C)c1ccc(/C=C/CN2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000835025876 629828247 /nfs/dbraw/zinc/82/82/47/629828247.db2.gz MICGULCIEYDTHJ-BWPKMQGJSA-N 0 0 314.351 3.029 20 10 DGCDRN CN(C)c1ccc(/C=C\CN2CCOC[C@H]2c2ccco2)cc1 ZINC000835030244 629829866 /nfs/dbraw/zinc/82/98/66/629829866.db2.gz WHSABLZGDCIGSK-AJNOYIKESA-N 0 0 312.413 3.432 20 10 DGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]CCC2CC(F)(F)C2)c1[O-] ZINC000835062062 629841856 /nfs/dbraw/zinc/84/18/56/629841856.db2.gz XSPFNOXOHDTEDD-UHFFFAOYSA-N 0 0 320.723 3.479 20 10 DGCDRN CC(C)[C@@H]1C[C@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000836320550 630098249 /nfs/dbraw/zinc/09/82/49/630098249.db2.gz OBQPZZVOLWLOQD-WMZOPIPTSA-N 0 0 313.445 3.154 20 10 DGCDRN Cc1ccncc1CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000836406430 630110223 /nfs/dbraw/zinc/11/02/23/630110223.db2.gz RPLPJPJTAHVXQF-CQSZACIVSA-N 0 0 312.417 3.016 20 10 DGCDRN Cc1cc(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)ccn1 ZINC000836405561 630110385 /nfs/dbraw/zinc/11/03/85/630110385.db2.gz HUWDLCKGCUFXFV-AWEZNQCLSA-N 0 0 312.417 3.016 20 10 DGCDRN CC[C@H](C)[C@@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)OC ZINC000836407461 630111050 /nfs/dbraw/zinc/11/10/50/630111050.db2.gz ZXMRPXJRTDCKKJ-GRDNDAEWSA-N 0 0 321.465 3.174 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCCC(C)(F)F)c1 ZINC000836502382 630123409 /nfs/dbraw/zinc/12/34/09/630123409.db2.gz DKWFLSMLGMTZJS-JTQLQIEISA-N 0 0 316.348 3.196 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CC23CCOCC3)cc1 ZINC000836868394 630176252 /nfs/dbraw/zinc/17/62/52/630176252.db2.gz FZLPGVPMKKTQLG-GOSISDBHSA-N 0 0 324.424 3.393 20 10 DGCDRN Cc1ccc(C(=O)NC2(Cc3ccc(F)cc3)CC2)c(O)c1O ZINC000836954761 630192045 /nfs/dbraw/zinc/19/20/45/630192045.db2.gz LAGOSZOVHZHVPT-UHFFFAOYSA-N 0 0 315.344 3.050 20 10 DGCDRN Cc1cc(C(=O)NC[C@@H]2C[C@H]2C2CC2)c(C)n1-c1ccccn1 ZINC000837114395 630215480 /nfs/dbraw/zinc/21/54/80/630215480.db2.gz MVCIMFUJNVEQSJ-RDJZCZTQSA-N 0 0 309.413 3.265 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCC1(C2CCC2)CCC1 ZINC000837216934 630228374 /nfs/dbraw/zinc/22/83/74/630228374.db2.gz DENALUQSZHPPAU-SOFGYWHQSA-N 0 0 301.386 3.198 20 10 DGCDRN CC(C)c1cc(C(=O)NCc2ccc(N)cc2)nn1C(C)(C)C ZINC000837302877 630237318 /nfs/dbraw/zinc/23/73/18/630237318.db2.gz KRFWAGLSMJOGKQ-UHFFFAOYSA-N 0 0 314.433 3.274 20 10 DGCDRN C[C@@H](CC(F)(F)F)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000837320016 630239559 /nfs/dbraw/zinc/23/95/59/630239559.db2.gz BPYOTLOTAJKEPB-NSHDSACASA-N 0 0 302.340 3.300 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2Cc3cccc(F)c3C2)cc1 ZINC000837378348 630250766 /nfs/dbraw/zinc/25/07/66/630250766.db2.gz AKIOXCXRSDOFCS-UHFFFAOYSA-N 0 0 313.376 3.117 20 10 DGCDRN CC[C@@H](CC(F)F)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000837485957 630265753 /nfs/dbraw/zinc/26/57/53/630265753.db2.gz SIEBGBPIWVHERH-UWVGGRQHSA-N 0 0 301.333 3.259 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)CC(F)(F)F)c1 ZINC000837486352 630265812 /nfs/dbraw/zinc/26/58/12/630265812.db2.gz XHFFDQGWDAQOJT-IUCAKERBSA-N 0 0 305.296 3.167 20 10 DGCDRN C[C@H](C(=O)NCc1cccc(Br)c1O)C1CCC1 ZINC000837581512 630279303 /nfs/dbraw/zinc/27/93/03/630279303.db2.gz JOISUOSPVOCATD-VIFPVBQESA-N 0 0 312.207 3.207 20 10 DGCDRN CNC(=O)c1cnc(/C=C/c2ccc(N(C)C)cc2C)s1 ZINC000840718480 630351927 /nfs/dbraw/zinc/35/19/27/630351927.db2.gz YUGKRAWBCZEEOI-SOFGYWHQSA-N 0 0 301.415 3.048 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1COC[C@@H]1OC)c1ccc(Cl)c(Cl)c1[O-] ZINC000840826787 630363151 /nfs/dbraw/zinc/36/31/51/630363151.db2.gz VVQHNYBMRWKPMH-TUAOUCFPSA-N 0 0 320.216 3.154 20 10 DGCDRN COc1ccc(O)c([C@@H](C)Nc2cccc3c2CN(C)C3=O)c1 ZINC000840856699 630367737 /nfs/dbraw/zinc/36/77/37/630367737.db2.gz JTSDGIJTZAAHGB-LLVKDONJSA-N 0 0 312.369 3.160 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)[C@](C)(OC)C2CC2)c1 ZINC000840860507 630368539 /nfs/dbraw/zinc/36/85/39/630368539.db2.gz NYYNPTMJLDNRMS-IUUKEHGRSA-N 0 0 321.417 3.033 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000840878954 630370658 /nfs/dbraw/zinc/37/06/58/630370658.db2.gz AHRPAUOPAYETQO-DGCLKSJQSA-N 0 0 307.340 3.097 20 10 DGCDRN CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1c(O)cc(C)cc1Cl ZINC000840912463 630376392 /nfs/dbraw/zinc/37/63/92/630376392.db2.gz OLZYTMDIUQXMKE-HNNXBMFYSA-N 0 0 324.852 3.187 20 10 DGCDRN Cc1noc([C@H]2CCC[N@H+](Cc3c(O)cc(C)cc3Cl)C2)n1 ZINC000840910415 630376584 /nfs/dbraw/zinc/37/65/84/630376584.db2.gz GGPINBAMWOSSNC-LBPRGKRZSA-N 0 0 321.808 3.425 20 10 DGCDRN Cc1cc(O)c(CN(CCCO)CC(F)(F)F)c(Cl)c1 ZINC000840914464 630377493 /nfs/dbraw/zinc/37/74/93/630377493.db2.gz UIAOCQMNSURNOZ-UHFFFAOYSA-N 0 0 311.731 3.101 20 10 DGCDRN Cc1cc(O)c(CN(C)Cc2ncc(Cl)n2C)c(Cl)c1 ZINC000840937579 630380601 /nfs/dbraw/zinc/38/06/01/630380601.db2.gz RWLDERXXXOVXLJ-UHFFFAOYSA-N 0 0 314.216 3.373 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ccc2oc(=O)n(C)c2c1 ZINC000840936074 630380677 /nfs/dbraw/zinc/38/06/77/630380677.db2.gz GKLHMKAJJQGMPT-UHFFFAOYSA-N 0 0 311.385 3.118 20 10 DGCDRN COC(=O)[C@@H](NCc1ccc(N(C)C)cc1C)c1cccs1 ZINC000840942258 630381881 /nfs/dbraw/zinc/38/18/81/630381881.db2.gz WZLLARBLCYNILB-INIZCTEOSA-N 0 0 318.442 3.126 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cccc(Br)c1[O-])[C@@H](O)C(C)C ZINC000840966466 630388282 /nfs/dbraw/zinc/38/82/82/630388282.db2.gz FYGVANRZJIEZPT-OLZOCXBDSA-N 0 0 316.239 3.040 20 10 DGCDRN CN1CCCc2cc(C[NH2+]Cc3ccc(C(=O)[O-])cc3)ccc21 ZINC000840994521 630391886 /nfs/dbraw/zinc/39/18/86/630391886.db2.gz LNSLESBEWDBONC-UHFFFAOYSA-N 0 0 310.397 3.057 20 10 DGCDRN CC[C@@H](C)[N@H+](CC(=O)[O-])Cc1ccc(N(CC)CC)c(F)c1 ZINC000840997109 630392418 /nfs/dbraw/zinc/39/24/18/630392418.db2.gz UFHZEJKEADEOMZ-CYBMUJFWSA-N 0 0 310.413 3.357 20 10 DGCDRN CCCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841022463 630397129 /nfs/dbraw/zinc/39/71/29/630397129.db2.gz NDECTQIODUYBHH-UHFFFAOYSA-N 0 0 317.433 3.026 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000841085715 630406030 /nfs/dbraw/zinc/40/60/30/630406030.db2.gz BJIFPAYFKQCFMY-RISCZKNCSA-N 0 0 312.816 3.149 20 10 DGCDRN CO[C@@H](C)c1cccc(NC(=O)NCCc2ccc(N)cc2)c1 ZINC000841099110 630407268 /nfs/dbraw/zinc/40/72/68/630407268.db2.gz CXTHGCOQYKXJBP-ZDUSSCGKSA-N 0 0 313.401 3.340 20 10 DGCDRN CC[C@H](C)n1nc(NC(=O)NCCc2ccc(N)cc2)cc1C ZINC000841174127 630413751 /nfs/dbraw/zinc/41/37/51/630413751.db2.gz UNGSDYLPFMXGLV-LBPRGKRZSA-N 0 0 315.421 3.109 20 10 DGCDRN Nc1ccc(CCNC(=O)Nc2ccc3c(c2)CCCC3=O)cc1 ZINC000841252304 630420414 /nfs/dbraw/zinc/42/04/14/630420414.db2.gz AEQYHKMSDPBYQI-UHFFFAOYSA-N 0 0 323.396 3.152 20 10 DGCDRN CCc1ccc(NC(=O)NCCc2ccc(N)cc2)cc1OC ZINC000841259204 630420522 /nfs/dbraw/zinc/42/05/22/630420522.db2.gz MHPFSNDIAQKALM-UHFFFAOYSA-N 0 0 313.401 3.204 20 10 DGCDRN CCn1ccnc1[C@@H]1CCCCN1C(=O)Nc1ccc(N)cc1 ZINC000841294436 630424134 /nfs/dbraw/zinc/42/41/34/630424134.db2.gz CEBKCNYPVCYXSH-HNNXBMFYSA-N 0 0 313.405 3.244 20 10 DGCDRN CCCOc1cccc(CCNC(=O)Nc2ccc(N)cc2)c1 ZINC000841299184 630424524 /nfs/dbraw/zinc/42/45/24/630424524.db2.gz WFZWSNQHDGCHBU-UHFFFAOYSA-N 0 0 313.401 3.422 20 10 DGCDRN CCOCCC1(CNC(=O)Nc2ccc(N)cc2)CCCC1 ZINC000841297595 630424537 /nfs/dbraw/zinc/42/45/37/630424537.db2.gz HBLDZLBVYYNYHM-UHFFFAOYSA-N 0 0 305.422 3.377 20 10 DGCDRN CCO[C@H]1C[C@H](N(C)C(=O)Nc2ccc(N)cc2)C12CCC2 ZINC000841298169 630424543 /nfs/dbraw/zinc/42/45/43/630424543.db2.gz MZMJLFLQKAETNH-GJZGRUSLSA-N 0 0 303.406 3.080 20 10 DGCDRN CCO[C@@H](CCNC(=O)Nc1ccc(N)cc1)C1CCCC1 ZINC000841298491 630424629 /nfs/dbraw/zinc/42/46/29/630424629.db2.gz ALTCTZSXTUSODZ-INIZCTEOSA-N 0 0 305.422 3.376 20 10 DGCDRN CO[C@@H](CC(C)C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000841347376 630431686 /nfs/dbraw/zinc/43/16/86/630431686.db2.gz RNIFJVHNQJQGAL-QAPCUYQASA-N 0 0 320.477 3.169 20 10 DGCDRN CC[C@H]1CCC[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000121506213 630433924 /nfs/dbraw/zinc/43/39/24/630433924.db2.gz HQXVMYYWOHAXKK-FUHWJXTLSA-N 0 0 313.445 3.441 20 10 DGCDRN Cc1cccc2c1NC(=O)/C2=C/c1ccc(N2CCOCC2)cc1 ZINC000841488262 630441929 /nfs/dbraw/zinc/44/19/29/630441929.db2.gz KWSLLHXGSHUZBZ-QGOAFFKASA-N 0 0 320.392 3.324 20 10 DGCDRN C[C@H](NC(=O)N1C[C@H](C)[C@H](C)[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000841581954 630446242 /nfs/dbraw/zinc/44/62/42/630446242.db2.gz LUBOWNMUEAOWDO-AJNGGQMLSA-N 0 0 303.450 3.500 20 10 DGCDRN Cc1ccc([C@@H](C)NC(=O)NCCc2ccc(N)cc2)s1 ZINC000841729218 630460358 /nfs/dbraw/zinc/46/03/58/630460358.db2.gz DZWFVMVKNRBJOD-GFCCVEGCSA-N 0 0 303.431 3.242 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc(Cl)cc1[O-] ZINC000841748237 630461566 /nfs/dbraw/zinc/46/15/66/630461566.db2.gz IKTZZAMBOPRSOD-GHJWDPDVSA-N 0 0 311.809 3.034 20 10 DGCDRN C[C@@H](NCc1nn(C)cc1Cl)c1ccc(Cl)cc1O ZINC000841757974 630462790 /nfs/dbraw/zinc/46/27/90/630462790.db2.gz QMGGDYOOSKJHMX-MRVPVSSYSA-N 0 0 300.189 3.283 20 10 DGCDRN C[C@H]([NH2+]CC1(N(C)C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000841764280 630463185 /nfs/dbraw/zinc/46/31/85/630463185.db2.gz VFPCYZSZJHGOPY-VIFPVBQESA-N 0 0 303.233 3.444 20 10 DGCDRN Cc1cc(CN(Cc2ccco2)Cc2ccccc2O)n(C)n1 ZINC000841826513 630469536 /nfs/dbraw/zinc/46/95/36/630469536.db2.gz JDUGTRRAXHEUEU-UHFFFAOYSA-N 0 0 311.385 3.230 20 10 DGCDRN CC1(c2ccccc2)CC(NC(=O)NCCc2ccc(N)cc2)C1 ZINC000841895969 630474637 /nfs/dbraw/zinc/47/46/37/630474637.db2.gz KIOGSTXEIWFUMT-UHFFFAOYSA-N 0 0 323.440 3.231 20 10 DGCDRN CC[C@@H](C)[C@H]1CCCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841953945 630476210 /nfs/dbraw/zinc/47/62/10/630476210.db2.gz GNLCUBVGAVXSMD-RHSMWYFYSA-N 0 0 303.450 3.422 20 10 DGCDRN CC(C)C[C@@H]1CCCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841956393 630476718 /nfs/dbraw/zinc/47/67/18/630476718.db2.gz ALJNRCWXYWHWGQ-KRWDZBQOSA-N 0 0 303.450 3.422 20 10 DGCDRN CCS[C@H]1CCCCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841955044 630476797 /nfs/dbraw/zinc/47/67/97/630476797.db2.gz UANGDMDQZMUHFD-INIZCTEOSA-N 0 0 321.490 3.129 20 10 DGCDRN Cc1ccc(CN(C)C(=O)NCCc2ccc(N)cc2)cc1C ZINC000841955873 630476822 /nfs/dbraw/zinc/47/68/22/630476822.db2.gz QEQRMXLTZSFJSO-UHFFFAOYSA-N 0 0 311.429 3.270 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CC3(CC3)c3ccccc32)cc1 ZINC000841955268 630476946 /nfs/dbraw/zinc/47/69/46/630476946.db2.gz XVZNQPMMLMRORS-UHFFFAOYSA-N 0 0 307.397 3.073 20 10 DGCDRN C[C@@H]1c2ccccc2CCN1C(=O)NCCc1ccc(N)cc1 ZINC000841957300 630476978 /nfs/dbraw/zinc/47/69/78/630476978.db2.gz RJSXCXFSICNCQH-CQSZACIVSA-N 0 0 309.413 3.140 20 10 DGCDRN Cc1cccc(CN(C)C(=O)NCCc2ccc(N)cc2)c1C ZINC000841955489 630476986 /nfs/dbraw/zinc/47/69/86/630476986.db2.gz DTDSTBDPJRWXIB-UHFFFAOYSA-N 0 0 311.429 3.270 20 10 DGCDRN CCN(CCc1ccccc1)C(=O)NCCc1ccc(N)cc1 ZINC000841961199 630477160 /nfs/dbraw/zinc/47/71/60/630477160.db2.gz BJRPJLNRQSKBRN-UHFFFAOYSA-N 0 0 311.429 3.086 20 10 DGCDRN Nc1ccc(CCNC(=O)N(C2CC2)C2CCCCC2)cc1 ZINC000841958664 630477337 /nfs/dbraw/zinc/47/73/37/630477337.db2.gz HFNKKVMWQRVXML-UHFFFAOYSA-N 0 0 301.434 3.318 20 10 DGCDRN CCCC[C@@](C)(CO)[NH2+]Cc1cccc(Br)c1[O-] ZINC000842745747 630570447 /nfs/dbraw/zinc/57/04/47/630570447.db2.gz FUTYHBWHQREBHA-AWEZNQCLSA-N 0 0 316.239 3.186 20 10 DGCDRN C/C=C(/CC)C(=O)OC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000842876718 630588132 /nfs/dbraw/zinc/58/81/32/630588132.db2.gz VYCOPKPMFCGDPF-SMDZSXGUSA-N 0 0 303.402 3.421 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)CSC(C)C)C2)cc1 ZINC000842877565 630588507 /nfs/dbraw/zinc/58/85/07/630588507.db2.gz DZGSAMOIXYBQRC-AWEZNQCLSA-N 0 0 323.458 3.206 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)C3CCCC3)C2)cc1 ZINC000842878842 630588737 /nfs/dbraw/zinc/58/87/37/630588737.db2.gz DFNHFAQFBJSGAQ-CQSZACIVSA-N 0 0 303.402 3.255 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)[C@@H]3CC=CCC3)C2)cc1 ZINC000842880928 630589053 /nfs/dbraw/zinc/58/90/53/630589053.db2.gz HEISKASRVAQFFV-JKSUJKDBSA-N 0 0 315.413 3.421 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)c3cccs3)C2)cc1 ZINC000842882747 630589136 /nfs/dbraw/zinc/58/91/36/630589136.db2.gz YRMQBCPVPCAJSO-CYBMUJFWSA-N 0 0 317.410 3.440 20 10 DGCDRN C[C@H]1C[C@H](Nc2ccc3c(c2)nnn3C)c2c1c(F)ccc2O ZINC000842900491 630592131 /nfs/dbraw/zinc/59/21/31/630592131.db2.gz IYGYDIGIVMONDH-ZANVPECISA-N 0 0 312.348 3.473 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2CCC(F)CC2)c1 ZINC000842927313 630594448 /nfs/dbraw/zinc/59/44/48/630594448.db2.gz FHXZADAEUMZADR-LKSINWNRSA-N 0 0 309.381 3.358 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cc(Br)c(F)cc1[O-] ZINC000842928293 630594588 /nfs/dbraw/zinc/59/45/88/630594588.db2.gz JAIDBDXORDAAFM-VGMNWLOBSA-N 0 0 318.186 3.122 20 10 DGCDRN Cc1cccc2nc(CC[NH2+][C@H](C)c3ccc(F)cc3[O-])cn21 ZINC000842932953 630594916 /nfs/dbraw/zinc/59/49/16/630594916.db2.gz LXRLPALOHOHZFF-CYBMUJFWSA-N 0 0 313.376 3.381 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1 ZINC000843041561 630607273 /nfs/dbraw/zinc/60/72/73/630607273.db2.gz SFJGTWOMZFIAEZ-YOEHRIQHSA-N 0 0 304.434 3.075 20 10 DGCDRN CC(C)[C@H]1C[C@H](Cc2nc(Cc3ccc(N)cc3)no2)CCO1 ZINC000843158651 630622940 /nfs/dbraw/zinc/62/29/40/630622940.db2.gz FRECRUFKIHLCDE-GDBMZVCRSA-N 0 0 315.417 3.236 20 10 DGCDRN CN(C)c1cccc(CCc2nc(Cc3ccc(N)cc3)no2)c1 ZINC000843161111 630623592 /nfs/dbraw/zinc/62/35/92/630623592.db2.gz POJVRORLONBARY-UHFFFAOYSA-N 0 0 322.412 3.094 20 10 DGCDRN Cc1ccc2c(c1)C(=O)N[C@@H](c1ccc3c(c1)CCCN3C)N2 ZINC000843274007 630639999 /nfs/dbraw/zinc/63/99/99/630639999.db2.gz VEVSDWFLZVQIPQ-SFHVURJKSA-N 0 0 307.397 3.232 20 10 DGCDRN Nc1ccc(CC(=O)N[C@@H](C2CCCCC2)C(F)(F)F)cc1 ZINC000843449380 630659894 /nfs/dbraw/zinc/65/98/94/630659894.db2.gz WYMYLNRSHSSJBQ-HNNXBMFYSA-N 0 0 314.351 3.439 20 10 DGCDRN COc1cccc(CNC(=O)[C@H]2CCCC[C@H]2C2CC2)c1O ZINC000843831893 630701757 /nfs/dbraw/zinc/70/17/57/630701757.db2.gz SIQVVXZESQWRLB-GJZGRUSLSA-N 0 0 303.402 3.233 20 10 DGCDRN CCS(=O)(=O)c1ccc(CN(C)c2ccc(OC)cc2)cc1 ZINC000844356772 630720988 /nfs/dbraw/zinc/72/09/88/630720988.db2.gz XIHCABPNNOEDDD-UHFFFAOYSA-N 0 0 319.426 3.125 20 10 DGCDRN CCc1occc1C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844854626 630945352 /nfs/dbraw/zinc/94/53/52/630945352.db2.gz BWEIXOBDTGOSCA-UHFFFAOYSA-N 0 0 316.401 3.059 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)C23CCC(CC2)C3)cc1 ZINC000844856739 630947373 /nfs/dbraw/zinc/94/73/73/630947373.db2.gz TYCMPSKXFFDDSK-UHFFFAOYSA-N 0 0 316.445 3.170 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cc(F)cc(F)c1[O-] ZINC000844925841 630988073 /nfs/dbraw/zinc/98/80/73/630988073.db2.gz VPXQLCADGKEAHC-SECBINFHSA-N 0 0 310.319 3.119 20 10 DGCDRN CC[C@H](C(=O)[O-])[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000844936047 630992108 /nfs/dbraw/zinc/99/21/08/630992108.db2.gz IDBBKTIYQQTTGP-CYBMUJFWSA-N 0 0 318.339 3.066 20 10 DGCDRN CSCC1(CC(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000845193839 631130207 /nfs/dbraw/zinc/13/02/07/631130207.db2.gz VNUAZAGQXNCWMP-UHFFFAOYSA-N 0 0 318.486 3.436 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCC[C@]1(C)C[C@]1(F)Cl ZINC000845411369 631172572 /nfs/dbraw/zinc/17/25/72/631172572.db2.gz ANVCQHSOPYGSKQ-HUUCEWRRSA-N 0 0 314.788 3.238 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1nnc(C(F)(F)F)s1 ZINC000845513475 631179962 /nfs/dbraw/zinc/17/99/62/631179962.db2.gz KUDONWRIKSYVDZ-ZCFIWIBFSA-N 0 0 319.308 3.011 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)COCC1CC1 ZINC000845581269 631181987 /nfs/dbraw/zinc/18/19/87/631181987.db2.gz VTMUJLAUZJPAAI-CQSZACIVSA-N 0 0 320.433 3.129 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NC2CC3(CCC3)C2)cc1 ZINC000845724101 631191304 /nfs/dbraw/zinc/19/13/04/631191304.db2.gz RFYHXEMAWLTYGR-UHFFFAOYSA-N 0 0 301.434 3.227 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ncccc2SC)c1 ZINC000845834018 631198238 /nfs/dbraw/zinc/19/82/38/631198238.db2.gz PLAFTDZHWJFELM-SNVBAGLBSA-N 0 0 318.398 3.009 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NCc2c(F)ccc(O)c2F)c1 ZINC000845971001 631204101 /nfs/dbraw/zinc/20/41/01/631204101.db2.gz GNNOILGHJFHOMJ-SECBINFHSA-N 0 0 309.312 3.235 20 10 DGCDRN O=S(=O)(CC1CCCCC1)NCc1cc(Cl)ccc1O ZINC000845997608 631205272 /nfs/dbraw/zinc/20/52/72/631205272.db2.gz FEOGSPVAASBQOR-UHFFFAOYSA-N 0 0 317.838 3.045 20 10 DGCDRN C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@](C)(O)c1ccccc1 ZINC000846039445 631207496 /nfs/dbraw/zinc/20/74/96/631207496.db2.gz SUFCXKTYRVIKFJ-SJCJKPOMSA-N 0 0 305.805 3.431 20 10 DGCDRN COCCc1ccnc(N[C@@H](C)c2cccc(OC)c2O)c1 ZINC000846173576 631213606 /nfs/dbraw/zinc/21/36/06/631213606.db2.gz TULXIUGPQGGQCE-LBPRGKRZSA-N 0 0 302.374 3.158 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)[C@](C)(O)c1ccccc1)c1ccc(F)cc1[O-] ZINC000846186134 631214054 /nfs/dbraw/zinc/21/40/54/631214054.db2.gz DSIJUMRTTBUIIL-LXIYXOSZSA-N 0 0 303.377 3.478 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](CO)CCF)c1cc(Cl)cc(Cl)c1[O-] ZINC000846209669 631214890 /nfs/dbraw/zinc/21/48/90/631214890.db2.gz RYPLDODPZRCIEJ-BXKDBHETSA-N 0 0 310.196 3.460 20 10 DGCDRN Cc1cc(C[NH2+][C@H](C)[C@H](C)C(=O)[O-])ccc1N1CCCCC1 ZINC000846228781 631215905 /nfs/dbraw/zinc/21/59/05/631215905.db2.gz OTQDKNNAUDQAGD-LSDHHAIUSA-N 0 0 304.434 3.184 20 10 DGCDRN Cc1cc(C[N@@H+](CC(=O)[O-])C(C)C)ccc1N1CCCCC1 ZINC000846267099 631217947 /nfs/dbraw/zinc/21/79/47/631217947.db2.gz NONVCKYOVHAACZ-UHFFFAOYSA-N 0 0 304.434 3.280 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000846472932 631249558 /nfs/dbraw/zinc/24/95/58/631249558.db2.gz NZJORSKVJNLYPR-FOSCPWQOSA-N 0 0 321.804 3.057 20 10 DGCDRN CC(C)[C@H](C(=O)NCc1cc(Cl)ccc1O)c1cccnc1 ZINC000846473659 631249564 /nfs/dbraw/zinc/24/95/64/631249564.db2.gz NTXYUYFHULSHOT-INIZCTEOSA-N 0 0 318.804 3.497 20 10 DGCDRN O=C(C[C@@H]1CCC(F)(F)C1)NCc1cc(Cl)ccc1O ZINC000846473082 631249644 /nfs/dbraw/zinc/24/96/44/631249644.db2.gz IKZXWGADISQIBA-VIFPVBQESA-N 0 0 303.736 3.487 20 10 DGCDRN Cc1noc(C)c1[C@H](C)C(=O)NCc1cc(Cl)ccc1O ZINC000846473161 631249859 /nfs/dbraw/zinc/24/98/59/631249859.db2.gz PXALNLNWLWFQLL-QMMMGPOBSA-N 0 0 308.765 3.070 20 10 DGCDRN CCOCCC1(C(=O)NCc2cc(Cl)ccc2O)CCC1 ZINC000846476297 631250820 /nfs/dbraw/zinc/25/08/20/631250820.db2.gz NHLHBXTXTVQCOK-UHFFFAOYSA-N 0 0 311.809 3.259 20 10 DGCDRN CC1(/C=C/C(=O)NCc2cc(Cl)ccc2O)CCOCC1 ZINC000846477483 631251397 /nfs/dbraw/zinc/25/13/97/631251397.db2.gz RILXECJESWZIBV-SNAWJCMRSA-N 0 0 309.793 3.035 20 10 DGCDRN Cc1noc(C(C)C)c1C(=O)NCc1cc(Cl)ccc1O ZINC000846478708 631251443 /nfs/dbraw/zinc/25/14/43/631251443.db2.gz DPYKYYGOAFBECK-UHFFFAOYSA-N 0 0 308.765 3.395 20 10 DGCDRN C/C(=C\c1ccccn1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000846843189 631325026 /nfs/dbraw/zinc/32/50/26/631325026.db2.gz MSFFKTPWSPIQMX-NTCAYCPXSA-N 0 0 321.424 3.184 20 10 DGCDRN C/C(=C\c1cccnc1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000846977674 631371892 /nfs/dbraw/zinc/37/18/92/631371892.db2.gz KRAGWCPKXHOLAN-ZQHYZAEZSA-N 0 0 309.413 3.428 20 10 DGCDRN CCC(CC)(CO)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000847399319 631472408 /nfs/dbraw/zinc/47/24/08/631472408.db2.gz AZXVWRNZRBMUFB-UHFFFAOYSA-N 0 0 318.461 3.092 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C[C@@H](C)O)C2CC2)cc1 ZINC000848361698 631650076 /nfs/dbraw/zinc/65/00/76/631650076.db2.gz SNGIKOLOVPFHJG-OAHLLOKOSA-N 0 0 312.413 3.080 20 10 DGCDRN CC[C@H]([NH2+]C[C@@](C)(CO)OC)c1ccc(Cl)c(Cl)c1[O-] ZINC000848557604 631691889 /nfs/dbraw/zinc/69/18/89/631691889.db2.gz GGGAYDPACDCLJT-FZMZJTMJSA-N 0 0 322.232 3.137 20 10 DGCDRN C[C@H]([NH2+][C@H]1C[C@H](OC(C)(C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000848565320 631694612 /nfs/dbraw/zinc/69/46/12/631694612.db2.gz JCZSXNZVJRFTMB-GVXVVHGQSA-N 0 0 308.378 3.297 20 10 DGCDRN COC[C@@H](CC(C)(C)C)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000848564235 631694771 /nfs/dbraw/zinc/69/47/71/631694771.db2.gz KDQHBDXJNSMONL-TZMCWYRMSA-N 0 0 323.433 3.281 20 10 DGCDRN COC[C@H](CC(C)(C)C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000848564917 631694877 /nfs/dbraw/zinc/69/48/77/631694877.db2.gz RWVJVUIAJQLREW-RYUDHWBXSA-N 0 0 310.394 3.402 20 10 DGCDRN Cc1ccc(O)c(CN[C@H](C[C@H]2CCCO2)C(F)(F)F)c1 ZINC000848571191 631698025 /nfs/dbraw/zinc/69/80/25/631698025.db2.gz DSOCVWXEUHSUOG-TZMCWYRMSA-N 0 0 303.324 3.290 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1cccc(Cl)c1[O-] ZINC000848574321 631699993 /nfs/dbraw/zinc/69/99/93/631699993.db2.gz RTWRPKBDGUCXDE-BXUZGUMPSA-N 0 0 324.808 3.070 20 10 DGCDRN Cc1nc(COC(=O)c2sc3nc(C)cc(C)c3c2N)co1 ZINC000848693628 631729109 /nfs/dbraw/zinc/72/91/09/631729109.db2.gz JZZYAEPHTBPMHX-UHFFFAOYSA-N 0 0 317.370 3.149 20 10 DGCDRN COC(=O)/C=C/c1ccc(CN2CCc3cc(OC)ccc32)o1 ZINC000848876408 631767019 /nfs/dbraw/zinc/76/70/19/631767019.db2.gz IMJUHTSQCUDJNH-SOFGYWHQSA-N 0 0 313.353 3.037 20 10 DGCDRN CCc1cccc(CNc2cccc(C(=O)NC3CC3)c2)c1O ZINC000848877074 631767177 /nfs/dbraw/zinc/76/71/77/631767177.db2.gz OYMZTPBSRAKVFX-UHFFFAOYSA-N 0 0 310.397 3.459 20 10 DGCDRN CCc1cccc(CN2CCOC[C@H]2c2ccc(C)o2)c1O ZINC000848887353 631771780 /nfs/dbraw/zinc/77/17/80/631771780.db2.gz UMAYNOVFSPRAIB-INIZCTEOSA-N 0 0 301.386 3.430 20 10 DGCDRN CCc1cccc(CN2C[C@@H](C(F)(F)F)OC[C@@H]2C)c1O ZINC000848910150 631783223 /nfs/dbraw/zinc/78/32/23/631783223.db2.gz HJLYIEHNGQMZRY-GWCFXTLKSA-N 0 0 303.324 3.106 20 10 DGCDRN C[C@@H]1CCCN(C(=[NH2+])NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000849078400 631828665 /nfs/dbraw/zinc/82/86/65/631828665.db2.gz ZGKQXEZJENLDAL-SECBINFHSA-N 0 0 316.232 3.455 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=S)NCC2CC2)cc1 ZINC000849253593 631867438 /nfs/dbraw/zinc/86/74/38/631867438.db2.gz QSHJYYWRFPQCJE-UHFFFAOYSA-N 0 0 305.491 3.249 20 10 DGCDRN Cn1cnc2cc(NCc3ccc(O[C@@H]4CCOC4)cc3)ccc21 ZINC000850217673 632083452 /nfs/dbraw/zinc/08/34/52/632083452.db2.gz INEKQEPFJYLDSH-QGZVFWFLSA-N 0 0 323.396 3.353 20 10 DGCDRN COc1cccc(NC(=S)NCc2ccc(N(C)C)cc2)c1 ZINC000007371594 632119007 /nfs/dbraw/zinc/11/90/07/632119007.db2.gz GSTFZQPVVKYTAA-UHFFFAOYSA-N 0 0 315.442 3.248 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000850373176 632129907 /nfs/dbraw/zinc/12/99/07/632129907.db2.gz DHGBBTYOSHMBKS-DZGCQCFKSA-N 0 0 307.752 3.453 20 10 DGCDRN C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000850412448 632144298 /nfs/dbraw/zinc/14/42/98/632144298.db2.gz XYYUFJZNHHOSAB-ZBEGNZNMSA-N 0 0 323.795 3.439 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)c2ccccn2)c1 ZINC000850483270 632166132 /nfs/dbraw/zinc/16/61/32/632166132.db2.gz VQRQDSLQUIOJOI-CHWSQXEVSA-N 0 0 314.385 3.028 20 10 DGCDRN COC[C@@H](CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])OC ZINC000850485680 632167704 /nfs/dbraw/zinc/16/77/04/632167704.db2.gz MNCKLVRUPSKNPN-GHMZBOCLSA-N 0 0 321.339 3.113 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)C1(CO)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000850515418 632176466 /nfs/dbraw/zinc/17/64/66/632176466.db2.gz KUIIDNMLKAZXLM-UWVGGRQHSA-N 0 0 303.324 3.223 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1)c1ccc(F)cc1[O-] ZINC000850540053 632187049 /nfs/dbraw/zinc/18/70/49/632187049.db2.gz HVWXUHKFVNJQMK-JDFRZJQESA-N 0 0 317.408 3.327 20 10 DGCDRN C[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)c1cccc(C(F)(F)F)c1[O-] ZINC000850547247 632189028 /nfs/dbraw/zinc/18/90/28/632189028.db2.gz SHMIKZJNZNUJAD-XDTLVQLUSA-N 0 0 315.335 3.365 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2C(C)(C)C2(F)F)c1 ZINC000850553206 632191073 /nfs/dbraw/zinc/19/10/73/632191073.db2.gz UAFAJBYLDWUHQA-ZANVPECISA-N 0 0 313.344 3.121 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](OC)C2CCCC2)c1 ZINC000850563607 632195429 /nfs/dbraw/zinc/19/54/29/632195429.db2.gz ZIRCBTFFHKTVNL-SJKOYZFVSA-N 0 0 321.417 3.035 20 10 DGCDRN C[C@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1ccc(F)cc1[O-] ZINC000850573977 632199318 /nfs/dbraw/zinc/19/93/18/632199318.db2.gz UNJDZMIAHDDYPV-LBPRGKRZSA-N 0 0 308.397 3.008 20 10 DGCDRN CC[C@@H](Cc1ccc(F)cc1)NC(=O)Cc1ccc(N)cc1 ZINC000851640486 632464612 /nfs/dbraw/zinc/46/46/12/632464612.db2.gz VZYAMUJMLQVWHH-KRWDZBQOSA-N 0 0 300.377 3.088 20 10 DGCDRN CCN(CC[C@H]1COC(C)(C)O1)c1ccc(OC)c(OC)c1 ZINC000851828273 632504790 /nfs/dbraw/zinc/50/47/90/632504790.db2.gz PHJZKWQHHKFCBS-AWEZNQCLSA-N 0 0 309.406 3.072 20 10 DGCDRN CN(C[C@H]1CC1(C)C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000852138668 632561387 /nfs/dbraw/zinc/56/13/87/632561387.db2.gz QTYUVXAFBGWJNO-MRXNPFEDSA-N 0 0 313.445 3.250 20 10 DGCDRN CC(C)[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1 ZINC000852137915 632561423 /nfs/dbraw/zinc/56/14/23/632561423.db2.gz AVGOLJWIVMXEST-GOSISDBHSA-N 0 0 313.445 3.297 20 10 DGCDRN CN(C)c1ccc(CN(C)[C@H](c2nc[nH]n2)c2ccccc2)cc1 ZINC000852151700 632563112 /nfs/dbraw/zinc/56/31/12/632563112.db2.gz KUMNKXWVZRUHDO-SFHVURJKSA-N 0 0 321.428 3.092 20 10 DGCDRN C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cscn1 ZINC000852516087 632616676 /nfs/dbraw/zinc/61/66/76/632616676.db2.gz LLFVKQIOCIUOPF-LBPRGKRZSA-N 0 0 318.446 3.112 20 10 DGCDRN C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc(F)cc1[O-] ZINC000184896785 660194406 /nfs/dbraw/zinc/19/44/06/660194406.db2.gz RESPIHOXCAFCHL-LLVKDONJSA-N 0 0 303.333 3.153 20 10 DGCDRN Cc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000184925907 660194786 /nfs/dbraw/zinc/19/47/86/660194786.db2.gz OKAAGVWQQFIVRL-GFCCVEGCSA-N 0 0 300.358 3.159 20 10 DGCDRN C[C@@H]([NH2+]CCN1CCc2ccccc2C1)c1cc(F)ccc1O ZINC000184923963 660195499 /nfs/dbraw/zinc/19/54/99/660195499.db2.gz ZHRXXEQQQVAPLV-CQSZACIVSA-N 0 0 314.404 3.240 20 10 DGCDRN COc1ccc(OC)c(CC[NH2+][C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000185186532 660206699 /nfs/dbraw/zinc/20/66/99/660206699.db2.gz UTEZSDUKVBPERZ-LBPRGKRZSA-N 0 0 319.376 3.442 20 10 DGCDRN COc1cccc(NCc2ccc(N(C)C)c(F)c2)c1[N+](=O)[O-] ZINC000185293084 660214371 /nfs/dbraw/zinc/21/43/71/660214371.db2.gz UMSNLPVKDGUVQU-UHFFFAOYSA-N 0 0 319.336 3.421 20 10 DGCDRN CC[C@@H]1[C@H](C)CCN1C(=O)NCCCSc1nccs1 ZINC000185648597 660235303 /nfs/dbraw/zinc/23/53/03/660235303.db2.gz SKLDGNWXFCZZQB-VXGBXAGGSA-N 0 0 313.492 3.455 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Cc2ccco2)cc1F ZINC000268809935 660267445 /nfs/dbraw/zinc/26/74/45/660267445.db2.gz ATULEVFHWDETNH-UHFFFAOYSA-N 0 0 304.365 3.124 20 10 DGCDRN CCCC[C@H](CC)CNC(=O)NCc1cccc(OC)c1O ZINC000073416501 660331775 /nfs/dbraw/zinc/33/17/75/660331775.db2.gz ZANCBYOVOAAOAQ-ZDUSSCGKSA-N 0 0 308.422 3.416 20 10 DGCDRN C[C@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000186189721 660335162 /nfs/dbraw/zinc/33/51/62/660335162.db2.gz WWABCROATLMCJR-APPDUMDISA-N 0 0 307.340 3.229 20 10 DGCDRN C[C@@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000186189737 660335404 /nfs/dbraw/zinc/33/54/04/660335404.db2.gz WWABCROATLMCJR-PIGZYNQJSA-N 0 0 307.340 3.229 20 10 DGCDRN Cc1ccc([C@@H](C)Nc2ccc(N3CCOCC3)cn2)c(O)c1 ZINC000186251380 660354393 /nfs/dbraw/zinc/35/43/93/660354393.db2.gz GXLSHRWMBBBWEE-CQSZACIVSA-N 0 0 313.401 3.105 20 10 DGCDRN Cc1cc(N(C)C)cc(C)c1NCc1cc2c(cc1O)OCO2 ZINC000186267937 660356146 /nfs/dbraw/zinc/35/61/46/660356146.db2.gz JRVUWUXQRVZRER-UHFFFAOYSA-N 0 0 314.385 3.416 20 10 DGCDRN COc1ccc(O)c([C@H](C)Nc2cnn(Cc3ccccn3)c2)c1 ZINC000186390335 660380133 /nfs/dbraw/zinc/38/01/33/660380133.db2.gz QARRPICVBNGYEX-ZDUSSCGKSA-N 0 0 324.384 3.214 20 10 DGCDRN O=S(=O)(Nc1ccc(O)cc1F)c1ccc(Cl)s1 ZINC000085203947 660380865 /nfs/dbraw/zinc/38/08/65/660380865.db2.gz YMCVSSBRSXKECX-UHFFFAOYSA-N 0 0 307.755 3.047 20 10 DGCDRN C[C@H]([NH2+]CCc1nn(C)c2ccccc12)c1ccc(F)cc1[O-] ZINC000186487944 660447413 /nfs/dbraw/zinc/44/74/13/660447413.db2.gz QXORYQVRWIDFNL-LBPRGKRZSA-N 0 0 313.376 3.311 20 10 DGCDRN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cccc(O)c1O ZINC000186844957 660577507 /nfs/dbraw/zinc/57/75/07/660577507.db2.gz ICXOJPATYVUKMQ-VIFPVBQESA-N 0 0 307.296 3.209 20 10 DGCDRN CCC(CC)c1nnc(NC(=O)c2cccc(O)c2O)s1 ZINC000186865431 660578270 /nfs/dbraw/zinc/57/82/70/660578270.db2.gz PVDMDDZWQXXJPK-UHFFFAOYSA-N 0 0 307.375 3.105 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCC(C)(C)C(C)C)c1 ZINC000186886903 660580489 /nfs/dbraw/zinc/58/04/89/660580489.db2.gz CEQRGHHOMHJCSA-LBPRGKRZSA-N 0 0 308.422 3.443 20 10 DGCDRN Cc1cc(C)n(-c2cccc(NC(=O)c3cccc(O)c3O)c2)n1 ZINC000186926620 660589339 /nfs/dbraw/zinc/58/93/39/660589339.db2.gz MVWUDIFHNFVNBH-UHFFFAOYSA-N 0 0 323.352 3.153 20 10 DGCDRN Cc1nc(CNCc2c(O)cccc2Br)cs1 ZINC000706821324 660873757 /nfs/dbraw/zinc/87/37/57/660873757.db2.gz CUGAQXDDVPHQMP-UHFFFAOYSA-N 0 0 313.220 3.209 20 10 DGCDRN C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Br)c2[O-])CO1 ZINC000708114987 660918105 /nfs/dbraw/zinc/91/81/05/660918105.db2.gz QQQHOMVCAZQMGD-XCBNKYQSSA-N 0 0 320.614 3.075 20 10 DGCDRN CC[C@H]1CN(Cc2ccc(Br)cc2O)C[C@@H](C)O1 ZINC000708351419 660920302 /nfs/dbraw/zinc/92/03/02/660920302.db2.gz XQCQPQMPBCZSGM-MFKMUULPSA-N 0 0 314.223 3.154 20 10 DGCDRN COc1ccc(CNC(=O)N[C@H](C)c2ccccc2C)c(O)c1 ZINC000792761319 660983180 /nfs/dbraw/zinc/98/31/80/660983180.db2.gz LAPYUWHRLRIZRP-CYBMUJFWSA-N 0 0 314.385 3.270 20 10 DGCDRN CC[C@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)CCO1 ZINC000792778881 660984223 /nfs/dbraw/zinc/98/42/23/660984223.db2.gz WMWGFNXZIWMCNT-AWEZNQCLSA-N 0 0 316.367 3.382 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N(CC2CC2)CC2CCC2)cc1 ZINC000792793759 660985245 /nfs/dbraw/zinc/98/52/45/660985245.db2.gz UPLVLKKTZVRFNZ-UHFFFAOYSA-N 0 0 315.461 3.474 20 10 DGCDRN CC[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(OC)cc1O ZINC000792833366 660987287 /nfs/dbraw/zinc/98/72/87/660987287.db2.gz AMXGXWXQYFZRLF-SWLSCSKDSA-N 0 0 306.406 3.169 20 10 DGCDRN O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc2c(c1)CCCC2 ZINC000792882433 660991434 /nfs/dbraw/zinc/99/14/34/660991434.db2.gz GDSBQDSNVVNDKX-QGOAFFKASA-N 0 0 318.376 3.027 20 10 DGCDRN COc1ccc(CNC(=O)NC[C@@H]2CCCC[C@H]2C)c(O)c1 ZINC000792918527 660993820 /nfs/dbraw/zinc/99/38/20/660993820.db2.gz UFKTYSXEGJMAJT-OLZOCXBDSA-N 0 0 306.406 3.026 20 10 DGCDRN CC[C@H](NC(=O)NCc1ccc(OC)cc1O)c1ccccc1 ZINC000792945360 660996167 /nfs/dbraw/zinc/99/61/67/660996167.db2.gz AGZHIAFLOSIYHH-INIZCTEOSA-N 0 0 314.385 3.351 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H]2CCC[C@H](C)CC2)c(O)c1 ZINC000793171116 661009401 /nfs/dbraw/zinc/00/94/01/661009401.db2.gz MNGQZEQMBMACEI-GXTWGEPZSA-N 0 0 306.406 3.169 20 10 DGCDRN CN1CCCc2cc(CNC(=O)[C@@H]3Cc4ccc(F)cc43)ccc21 ZINC000793283000 661020646 /nfs/dbraw/zinc/02/06/46/661020646.db2.gz DUCKDHOQBXBCEA-GOSISDBHSA-N 0 0 324.399 3.164 20 10 DGCDRN c1cc2c(c(NCc3ccc(N4CCOCC4)cc3)c1)CCO2 ZINC000793327016 661024605 /nfs/dbraw/zinc/02/46/05/661024605.db2.gz ZGQGAZVNOJTXPZ-UHFFFAOYSA-N 0 0 310.397 3.070 20 10 DGCDRN Cc1cc(C(=O)OC[C@@H]2CCO[C@@H]2C)c(C)n1-c1ccccn1 ZINC000793418518 661032274 /nfs/dbraw/zinc/03/22/74/661032274.db2.gz CDQVSCGXJNOBCS-CABCVRRESA-N 0 0 314.385 3.071 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1Cc2ccc(F)cc21 ZINC000793515570 661040547 /nfs/dbraw/zinc/04/05/47/661040547.db2.gz OOHKDZHBJIRGGM-SFHVURJKSA-N 0 0 312.388 3.156 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)COC2CCC(C)CC2)c1 ZINC000793687713 661053428 /nfs/dbraw/zinc/05/34/28/661053428.db2.gz AKUQRDQHEGYHGW-ROKHWSDSSA-N 0 0 321.417 3.173 20 10 DGCDRN CC[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000793797616 661057885 /nfs/dbraw/zinc/05/78/85/661057885.db2.gz WERCBCWQHICXGB-CFVMTHIKSA-N 0 0 305.418 3.361 20 10 DGCDRN COc1ccc(N2CCN(C(=O)CC3CC(C)(C)C3)CC2)cc1 ZINC000794186108 661070990 /nfs/dbraw/zinc/07/09/90/661070990.db2.gz TVUFNFARWHHRAX-UHFFFAOYSA-N 0 0 316.445 3.170 20 10 DGCDRN COc1ccc(CNC(=O)CCCc2cccs2)c(O)c1 ZINC000794378286 661081979 /nfs/dbraw/zinc/08/19/79/661081979.db2.gz RNUMEHQOEPGAPM-UHFFFAOYSA-N 0 0 305.399 3.101 20 10 DGCDRN COc1ccc(CNC(=O)[C@H](C)Cc2cccc(F)c2)c(O)c1 ZINC000794382745 661082354 /nfs/dbraw/zinc/08/23/54/661082354.db2.gz GMRPTIVVVMFWAQ-GFCCVEGCSA-N 0 0 317.360 3.035 20 10 DGCDRN COc1ccc(CNC(=O)c2ccc(Cl)cc2C)c(O)c1 ZINC000794388691 661082564 /nfs/dbraw/zinc/08/25/64/661082564.db2.gz ZRHULCWLGKCUKG-UHFFFAOYSA-N 0 0 305.761 3.293 20 10 DGCDRN COc1ccc(CNC(=O)C[C@@H]2CCc3ccccc32)c(O)c1 ZINC000794388075 661082647 /nfs/dbraw/zinc/08/26/47/661082647.db2.gz OPILVANWKJFWEQ-AWEZNQCLSA-N 0 0 311.381 3.137 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Cc2coc3ccccc23)cc1 ZINC000794618723 661094709 /nfs/dbraw/zinc/09/47/09/661094709.db2.gz MOCUVXPBNAUGDU-UHFFFAOYSA-N 0 0 308.381 3.358 20 10 DGCDRN COc1ccc(CNC(=S)N[C@@H](C)c2cccs2)c(O)c1 ZINC000795032146 661122803 /nfs/dbraw/zinc/12/28/03/661122803.db2.gz QKJYWUYXXBHDGS-JTQLQIEISA-N 0 0 322.455 3.188 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@](C)(CC)OC)cc1F ZINC000795086653 661125728 /nfs/dbraw/zinc/12/57/28/661125728.db2.gz QRRLKXZSINGKLM-KRWDZBQOSA-N 0 0 310.413 3.103 20 10 DGCDRN COc1ccc(CNc2nc(C)cc(C(F)(F)F)n2)c(O)c1 ZINC000795284043 661138200 /nfs/dbraw/zinc/13/82/00/661138200.db2.gz GUZVONMHPJCBHN-UHFFFAOYSA-N 0 0 313.279 3.130 20 10 DGCDRN CCN1C(=O)/C(=C/C=C/c2ccccc2[N+](=O)[O-])SC1=S ZINC000001601352 655533594 /nfs/dbraw/zinc/53/35/94/655533594.db2.gz TXJSFYCYKJAIGC-RTFKAXJXSA-N 0 0 320.395 3.372 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCOC3(CCCCC3)C2)c1O ZINC000175739479 655541027 /nfs/dbraw/zinc/54/10/27/655541027.db2.gz FYOOJOJNDVLVPR-UHFFFAOYSA-N 0 0 321.392 3.269 20 10 DGCDRN Cc1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1C ZINC000070333929 655606406 /nfs/dbraw/zinc/60/64/06/655606406.db2.gz CPQZCMINMUFMNR-UHFFFAOYSA-N 0 0 311.790 3.463 20 10 DGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1ccoc1 ZINC000175850151 655612155 /nfs/dbraw/zinc/61/21/55/655612155.db2.gz YBHVRIJPSWQDEW-UHFFFAOYSA-N 0 0 324.174 3.410 20 10 DGCDRN Cc1ccc(SCCNC(=O)CSc2nccs2)cc1 ZINC000045055506 655624138 /nfs/dbraw/zinc/62/41/38/655624138.db2.gz ZVCHPZAGKKFEHV-UHFFFAOYSA-N 0 0 324.496 3.452 20 10 DGCDRN COc1cccc(CNC(=O)N[C@@H]2CCC(C)(C)C[C@H]2C)c1O ZINC000175847752 655661454 /nfs/dbraw/zinc/66/14/54/655661454.db2.gz LWBMTVWFUMPVIM-TZMCWYRMSA-N 0 0 320.433 3.415 20 10 DGCDRN CC[C@@H]1OCC[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000795769651 661172204 /nfs/dbraw/zinc/17/22/04/661172204.db2.gz TVMIGEMWXQROEU-MSOLQXFVSA-N 0 0 316.445 3.108 20 10 DGCDRN Cc1nn(C)cc1C=C1SC(Nc2cccc(C)c2)=NC1=O ZINC000255297126 655688983 /nfs/dbraw/zinc/68/89/83/655688983.db2.gz ZUVRIAAGBBNTMZ-ZSOIEALJSA-N 0 0 312.398 3.119 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CCCOC(C)(C)C)cc1F ZINC000795830068 661174850 /nfs/dbraw/zinc/17/48/50/661174850.db2.gz ROPRWYBKQNPDGS-UHFFFAOYSA-N 0 0 310.413 3.103 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCC1CC1 ZINC000077623907 655705728 /nfs/dbraw/zinc/70/57/28/655705728.db2.gz GCEMXCWPGURAET-UHFFFAOYSA-N 0 0 303.450 3.474 20 10 DGCDRN C[NH2+]C[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000040592906 655712357 /nfs/dbraw/zinc/71/23/57/655712357.db2.gz CCNNGUHTDXAKQR-SNVBAGLBSA-N 0 0 303.233 3.130 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NC2[C@H](C)CCC[C@H]2C)c1 ZINC000176078523 655732198 /nfs/dbraw/zinc/73/21/98/655732198.db2.gz GRVKHYUCQPRCJL-VXGBXAGGSA-N 0 0 306.406 3.025 20 10 DGCDRN CCc1ncc(C(=O)N(CC)Cc2ccc(N(C)C)cc2)s1 ZINC000065214958 655747388 /nfs/dbraw/zinc/74/73/88/655747388.db2.gz JRMXUQUYDYTZBW-UHFFFAOYSA-N 0 0 317.458 3.434 20 10 DGCDRN CCn1cc(N2C(=O)/C(=C\c3ccsc3)SC2=S)cn1 ZINC000255506618 655775556 /nfs/dbraw/zinc/77/55/56/655775556.db2.gz RHGAKVREIPRADS-VZUCSPMQSA-N 0 0 321.452 3.370 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc(F)c(F)c2F)cc1 ZINC000176775955 655810767 /nfs/dbraw/zinc/81/07/67/655810767.db2.gz BPVIZOSUONGPDV-UHFFFAOYSA-N 0 0 308.303 3.100 20 10 DGCDRN Cc1cccc(OCCNC(=O)[C@@H](C)Sc2nccs2)c1 ZINC000052914377 655846788 /nfs/dbraw/zinc/84/67/88/655846788.db2.gz ROWFSCHHVNRONZ-GFCCVEGCSA-N 0 0 322.455 3.127 20 10 DGCDRN CC[C@@H]1CC(=O)N(CN2CCCc3cc(OC(F)F)ccc32)C1 ZINC000158829646 655853260 /nfs/dbraw/zinc/85/32/60/655853260.db2.gz WLSQFMNCFUSLJD-GFCCVEGCSA-N 0 0 324.371 3.257 20 10 DGCDRN CC[C@@H](CO)NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000188278187 655891040 /nfs/dbraw/zinc/89/10/40/655891040.db2.gz FAQKLIIONLQWFH-AWEZNQCLSA-N 0 0 320.820 3.248 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H]2CCCOc3ccccc32)c(O)c1O ZINC000179468514 655893457 /nfs/dbraw/zinc/89/34/57/655893457.db2.gz APWBBTHHGYDARC-CQSZACIVSA-N 0 0 313.353 3.050 20 10 DGCDRN CCOC(=O)CN(CCc1ccccc1)Cc1ccccc1O ZINC000179574570 655909205 /nfs/dbraw/zinc/90/92/05/655909205.db2.gz OQPNNEZIEKQMMR-UHFFFAOYSA-N 0 0 313.397 3.000 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(NC=O)cc1 ZINC000177136761 655914324 /nfs/dbraw/zinc/91/43/24/655914324.db2.gz PUFMAFKQOOVZRD-UHFFFAOYSA-N 0 0 312.369 3.013 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)c1[O-] ZINC000177184618 655916307 /nfs/dbraw/zinc/91/63/07/655916307.db2.gz JLMNIAOAVIZNQM-CYBMUJFWSA-N 0 0 324.852 3.022 20 10 DGCDRN CC(C)CN(C(=O)NCCCSc1nccs1)C1CC1 ZINC000177852423 655948270 /nfs/dbraw/zinc/94/82/70/655948270.db2.gz OMRKCIVKIDUNOJ-UHFFFAOYSA-N 0 0 313.492 3.455 20 10 DGCDRN Cc1cc(C(=O)OCC[C@H]2CCCO2)c(C)n1-c1ccccn1 ZINC000177925115 655950619 /nfs/dbraw/zinc/95/06/19/655950619.db2.gz JOUMRBPFFBTEFG-OAHLLOKOSA-N 0 0 314.385 3.215 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Nc2ccc(F)nc2)cc1 ZINC000178019958 655952799 /nfs/dbraw/zinc/95/27/99/655952799.db2.gz WCJMDELLYOVJRO-UHFFFAOYSA-N 0 0 316.380 3.389 20 10 DGCDRN CCS[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)C ZINC000066603096 655956066 /nfs/dbraw/zinc/95/60/66/655956066.db2.gz UYEMCQNWIBQJAQ-MRXNPFEDSA-N 0 0 308.491 3.489 20 10 DGCDRN CCO[C@H](C)c1noc(COc2ccc(N3CCCC3)cc2)n1 ZINC000178195231 655959699 /nfs/dbraw/zinc/95/96/99/655959699.db2.gz QTWKMBSBPBIKDP-CYBMUJFWSA-N 0 0 317.389 3.346 20 10 DGCDRN CCOC(C)(C)C[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715746709 661213951 /nfs/dbraw/zinc/21/39/51/661213951.db2.gz SQNNVGIUFZOMMK-UHFFFAOYSA-N 0 0 320.202 3.199 20 10 DGCDRN CN(C)c1ccc(CNc2cc(C(N)=O)ccc2Cl)cc1 ZINC000036943056 661211966 /nfs/dbraw/zinc/21/19/66/661211966.db2.gz BLERKUZUOJDEEQ-UHFFFAOYSA-N 0 0 303.793 3.117 20 10 DGCDRN C[C@H]1SCC[C@@H]1[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715790714 661214689 /nfs/dbraw/zinc/21/46/89/661214689.db2.gz CPEDUIZJLADCJG-HQJQHLMTSA-N 0 0 320.227 3.277 20 10 DGCDRN COc1ccc(O)c([C@@H](C)N[C@H](C)c2nc(C3CC3)no2)c1 ZINC000182345844 656104918 /nfs/dbraw/zinc/10/49/18/656104918.db2.gz ORZIKWFKTQTREK-NXEZZACHSA-N 0 0 303.362 3.073 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2ncccc2c1 ZINC000185389604 656126110 /nfs/dbraw/zinc/12/61/10/656126110.db2.gz ILQHCBPUDMPSIM-GFCCVEGCSA-N 0 0 322.364 3.007 20 10 DGCDRN Cc1occc1C[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000092438558 656153656 /nfs/dbraw/zinc/15/36/56/656153656.db2.gz ZGUJJPOVYSHLNX-UHFFFAOYSA-N 0 0 310.737 3.487 20 10 DGCDRN CCc1cc(O)ccc1NS(=O)(=O)c1ccc(SC)cc1 ZINC000189430654 656155047 /nfs/dbraw/zinc/15/50/47/656155047.db2.gz RGVQRALAWYSBMT-UHFFFAOYSA-N 0 0 323.439 3.477 20 10 DGCDRN CCc1ccccc1S(=O)(=O)Nc1ccc(O)cc1SC ZINC000192155667 656175727 /nfs/dbraw/zinc/17/57/27/656175727.db2.gz PVYSPNDVTLMZKR-UHFFFAOYSA-N 0 0 323.439 3.477 20 10 DGCDRN CCC1(CNC(=O)NCc2cccc(OC)c2O)CCCC1 ZINC000119941141 661242991 /nfs/dbraw/zinc/24/29/91/661242991.db2.gz DUTNULIMIUGKOB-UHFFFAOYSA-N 0 0 306.406 3.170 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2cccnc2Cl)cc1 ZINC000027384097 656279153 /nfs/dbraw/zinc/27/91/53/656279153.db2.gz MFBUODMLQCIOTE-UHFFFAOYSA-N 0 0 303.793 3.073 20 10 DGCDRN CSC[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093760941 656387464 /nfs/dbraw/zinc/38/74/64/656387464.db2.gz NIODXAVWYBMLIZ-LLVKDONJSA-N 0 0 316.810 3.281 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NCc2ccoc2)cc1F ZINC000066927097 656395849 /nfs/dbraw/zinc/39/58/49/656395849.db2.gz OFLAUNSPCLELTK-UHFFFAOYSA-N 0 0 319.380 3.264 20 10 DGCDRN CCOc1ccccc1NC[C@H](O)COc1ccccc1C ZINC000314536489 656464648 /nfs/dbraw/zinc/46/46/48/656464648.db2.gz IEYANOMLYYKLKV-HNNXBMFYSA-N 0 0 301.386 3.246 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1CCN1C(=O)OC(C)(C)C)c1ccc(F)cc1[O-] ZINC000724927926 656530456 /nfs/dbraw/zinc/53/04/56/656530456.db2.gz YHOJPXKCGLTMBD-DGCLKSJQSA-N 0 0 324.396 3.191 20 10 DGCDRN CC(C)NC(=O)c1ccc(NCc2cc(F)ccc2O)cc1 ZINC000317879908 656685210 /nfs/dbraw/zinc/68/52/10/656685210.db2.gz YUPMRDXVJLHPQX-UHFFFAOYSA-N 0 0 302.349 3.282 20 10 DGCDRN COc1ccc2c(c1)CCCN2CCOC1CCSCC1 ZINC000929238857 661290320 /nfs/dbraw/zinc/29/03/20/661290320.db2.gz YWJYGFJUHWHCJA-UHFFFAOYSA-N 0 0 307.459 3.360 20 10 DGCDRN CCC(CC)[C@H](O)C[NH2+]Cc1cccc(Br)c1[O-] ZINC000225815663 656792174 /nfs/dbraw/zinc/79/21/74/656792174.db2.gz VMOUSRAFFWSITC-CYBMUJFWSA-N 0 0 316.239 3.041 20 10 DGCDRN C[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)[C@@H]1C ZINC000178562483 656847488 /nfs/dbraw/zinc/84/74/88/656847488.db2.gz CWYZXHYYTOIFNT-HUUCEWRRSA-N 0 0 301.434 3.227 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCO[C@@H](C)C1 ZINC000054150380 657090815 /nfs/dbraw/zinc/09/08/15/657090815.db2.gz CULAGUINNRBKCO-ZDUSSCGKSA-N 0 0 304.415 3.017 20 10 DGCDRN CC(C)[C@@H](C)NC(=O)CSc1ncc(-c2ccccc2)n1C ZINC000005263890 657381020 /nfs/dbraw/zinc/38/10/20/657381020.db2.gz NHPDBHIBNLPRFA-CYBMUJFWSA-N 0 0 317.458 3.340 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccccc2O)cc1F ZINC000303393015 657531787 /nfs/dbraw/zinc/53/17/87/657531787.db2.gz YKMOTLWPLKPAMV-UHFFFAOYSA-N 0 0 316.376 3.308 20 10 DGCDRN C[C@H]1CC[C@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000303425892 657535235 /nfs/dbraw/zinc/53/52/35/657535235.db2.gz ZPIRPMJADLKCGZ-MQMHXKEQSA-N 0 0 307.413 3.270 20 10 DGCDRN COc1ccc(N(C)C[C@@H](O)c2ccc(C#N)cc2)cc1Cl ZINC000305052736 657668340 /nfs/dbraw/zinc/66/83/40/657668340.db2.gz AUPBXLUFTGSYJA-MRXNPFEDSA-N 0 0 316.788 3.390 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N(C)CCC2CC2)cc1 ZINC000179070284 657668518 /nfs/dbraw/zinc/66/85/18/657668518.db2.gz ZEYMBUQKNOIGQJ-UHFFFAOYSA-N 0 0 303.450 3.474 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cnccc2CO)cc1 ZINC000305737276 657732991 /nfs/dbraw/zinc/73/29/91/657732991.db2.gz YKAYVUGJTITYKQ-UHFFFAOYSA-N 0 0 321.380 3.234 20 10 DGCDRN CCCCCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000098093654 657878682 /nfs/dbraw/zinc/87/86/82/657878682.db2.gz UKKZGZNUHXQNJN-UHFFFAOYSA-N 0 0 318.461 3.092 20 10 DGCDRN COc1ccc(O)c(CNc2cnn(Cc3ccccc3)c2)c1 ZINC000237364752 658375917 /nfs/dbraw/zinc/37/59/17/658375917.db2.gz STAXQVGNKUGBLI-UHFFFAOYSA-N 0 0 309.369 3.258 20 10 DGCDRN C[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H]1C ZINC000179302932 658402588 /nfs/dbraw/zinc/40/25/88/658402588.db2.gz SNQQCLSPMVFODA-CVEARBPZSA-N 0 0 315.461 3.474 20 10 DGCDRN O=C(NCc1ccccc1O)c1c(F)cccc1Br ZINC000088348254 658631991 /nfs/dbraw/zinc/63/19/91/658631991.db2.gz RFPDWJDFLCRCTG-UHFFFAOYSA-N 0 0 324.149 3.224 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C/c1ccc2c(c1)CCO2 ZINC000054802430 658896765 /nfs/dbraw/zinc/89/67/65/658896765.db2.gz MMEMYPQPDJJQNU-RVDMUPIBSA-N 0 0 314.410 3.078 20 10 DGCDRN CC(C)c1cc(C(=O)NCCCSc2nccs2)no1 ZINC000164061681 658915338 /nfs/dbraw/zinc/91/53/38/658915338.db2.gz XIKPQSNCTFCZAA-UHFFFAOYSA-N 0 0 311.432 3.167 20 10 DGCDRN COc1cc(CN2CCO[C@@H](C)[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000164515586 658936801 /nfs/dbraw/zinc/93/68/01/658936801.db2.gz GJXFCEFTUKWARW-STQMWFEESA-N 0 0 307.434 3.308 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000156715079 658940526 /nfs/dbraw/zinc/94/05/26/658940526.db2.gz NARBYSMETJHCNU-RDJZCZTQSA-N 0 0 301.434 3.227 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2CCCOC2)cc1 ZINC000055920235 658942306 /nfs/dbraw/zinc/94/23/06/658942306.db2.gz MQONVMYNQIZWTP-MRXNPFEDSA-N 0 0 312.413 3.251 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NCCCOC(C)C)cc1 ZINC000057501639 659015084 /nfs/dbraw/zinc/01/50/84/659015084.db2.gz HQWQLSILRYPXMS-UHFFFAOYSA-N 0 0 321.465 3.147 20 10 DGCDRN C[C@H]1C[C@H](C)CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000057646712 659023149 /nfs/dbraw/zinc/02/31/49/659023149.db2.gz IBLPDEJGOPRDCY-STQMWFEESA-N 0 0 307.413 3.079 20 10 DGCDRN CC(C)n1cccc1C(=O)NCCCSc1nccs1 ZINC000157360541 659052157 /nfs/dbraw/zinc/05/21/57/659052157.db2.gz LOPAZEJRIVTXDL-UHFFFAOYSA-N 0 0 309.460 3.438 20 10 DGCDRN Cc1cc(C(=O)N[C@]2(C)CCOC2)c(C)n1-c1ccc(F)cc1 ZINC000157700320 659094994 /nfs/dbraw/zinc/09/49/94/659094994.db2.gz QRQUGSBXAMJHDQ-GOSISDBHSA-N 0 0 316.376 3.142 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)c2ccccn2)c(C)n1-c1ccccn1 ZINC000060855920 659210735 /nfs/dbraw/zinc/21/07/35/659210735.db2.gz MVTGMSISEYJDHV-CQSZACIVSA-N 0 0 320.396 3.375 20 10 DGCDRN CN1C(=O)/C(=C\c2ccc(Br)s2)SC1=S ZINC000061002261 659225087 /nfs/dbraw/zinc/22/50/87/659225087.db2.gz VFXBGZPCGQMEPQ-GQCTYLIASA-N 0 0 320.258 3.342 20 10 DGCDRN Cc1ccccc1C1(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000170701447 659226542 /nfs/dbraw/zinc/22/65/42/659226542.db2.gz GTSIFCCQLHKLPD-UHFFFAOYSA-N 0 0 308.425 3.409 20 10 DGCDRN COc1cccc(CNC(=O)c2cccc(C(F)F)c2)c1O ZINC000171486917 659281944 /nfs/dbraw/zinc/28/19/44/659281944.db2.gz JKTRPUVTOUVCMJ-UHFFFAOYSA-N 0 0 307.296 3.268 20 10 DGCDRN CCN(CC)c1ccc(CNc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000171810013 659299433 /nfs/dbraw/zinc/29/94/33/659299433.db2.gz IPWLHMHXVVIPEV-UHFFFAOYSA-N 0 0 322.412 3.381 20 10 DGCDRN CC[C@H](C)CN(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000171836467 659300642 /nfs/dbraw/zinc/30/06/42/659300642.db2.gz NZVWZOGOEANHRA-HNNXBMFYSA-N 0 0 303.450 3.474 20 10 DGCDRN CC(C)[C@H](C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000171967326 659308766 /nfs/dbraw/zinc/30/87/66/659308766.db2.gz YGRGFTJIQUIIGM-AWEZNQCLSA-N 0 0 306.475 3.148 20 10 DGCDRN CC[C@@H]1CN(C(=O)/C=C/c2cncc(F)c2)c2ccccc2O1 ZINC000172688534 659349470 /nfs/dbraw/zinc/34/94/70/659349470.db2.gz QWWFODWDBYKNKP-MVGZEHJDSA-N 0 0 312.344 3.438 20 10 DGCDRN CC[C@@H](C)[C@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000172698044 659350796 /nfs/dbraw/zinc/35/07/96/659350796.db2.gz VGYXKOZKFWTIIL-CABCVRRESA-N 0 0 301.434 3.297 20 10 DGCDRN Oc1cc2c(cc1CN(Cc1ccccc1)CC(F)F)OCO2 ZINC000173500864 659389194 /nfs/dbraw/zinc/38/91/94/659389194.db2.gz USUHZQSJRIMTJY-UHFFFAOYSA-N 0 0 321.323 3.388 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cnn(CCC)c1 ZINC000174104664 659414243 /nfs/dbraw/zinc/41/42/43/659414243.db2.gz HGUQZPBIMQGAJY-UHFFFAOYSA-N 0 0 316.405 3.443 20 10 DGCDRN CSC(C)(C)CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000174354771 659431794 /nfs/dbraw/zinc/43/17/94/659431794.db2.gz MEERYLMOQHYQEW-UHFFFAOYSA-N 0 0 321.490 3.010 20 10 DGCDRN CCc1ccc(C(=O)N(C)Cc2ccccc2O)cc1[N+](=O)[O-] ZINC000175311519 659918848 /nfs/dbraw/zinc/91/88/48/659918848.db2.gz ACSHTOYQSHVAPP-UHFFFAOYSA-N 0 0 314.341 3.135 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1SCCc2ccccc21 ZINC000175504853 659922831 /nfs/dbraw/zinc/92/28/31/659922831.db2.gz AMNNJDMOGHHZLY-KRWDZBQOSA-N 0 0 313.422 3.381 20 10 DGCDRN COC(=O)CN(Cc1ccc(Cl)cc1)Cc1ccccc1O ZINC000179561564 659933186 /nfs/dbraw/zinc/93/31/86/659933186.db2.gz QJRWQCAWWZWFGB-UHFFFAOYSA-N 0 0 319.788 3.221 20 10 DGCDRN Nc1ccc(CC(=O)NCCSCc2ccccc2F)cc1 ZINC000238113930 659958423 /nfs/dbraw/zinc/95/84/23/659958423.db2.gz VKSYYRVVWUOAAU-UHFFFAOYSA-N 0 0 318.417 3.000 20 10 DGCDRN Cc1nc2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3)cc2o1 ZINC000180627721 659966006 /nfs/dbraw/zinc/96/60/06/659966006.db2.gz AQFNWVUSBXRPLD-XVNBXDOJSA-N 0 0 310.309 3.199 20 10 DGCDRN COCCOc1ccc(CN(C)c2ccc3c(c2)OCO3)cc1 ZINC000180761445 659969808 /nfs/dbraw/zinc/96/98/08/659969808.db2.gz HUVOTSAUDUBMQU-UHFFFAOYSA-N 0 0 315.369 3.077 20 10 DGCDRN COCCOc1cccc(CN(C)c2ccc(OC)c(F)c2)c1 ZINC000180774025 659970313 /nfs/dbraw/zinc/97/03/13/659970313.db2.gz VGTWGGVTXXJEJJ-UHFFFAOYSA-N 0 0 319.376 3.496 20 10 DGCDRN COCCOc1ccc(CN(C)c2ccc(OC)c(F)c2)cc1 ZINC000180774769 659970511 /nfs/dbraw/zinc/97/05/11/659970511.db2.gz GRRKZBONIXNSOH-UHFFFAOYSA-N 0 0 319.376 3.496 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cc(F)c(F)c(F)c1 ZINC000181116234 659980789 /nfs/dbraw/zinc/98/07/89/659980789.db2.gz ZXRSDCRQSZCWND-DUXPYHPUSA-N 0 0 309.243 3.167 20 10 DGCDRN Cc1ccc([C@@H](C)CNC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000181108193 659981192 /nfs/dbraw/zinc/98/11/92/659981192.db2.gz MUKGVNBFQXGAJI-XYYIANASSA-N 0 0 311.381 3.339 20 10 DGCDRN CC1(CNC(=O)/C=C/c2ccc(O)c(O)c2)Cc2ccccc2C1 ZINC000181305072 659993209 /nfs/dbraw/zinc/99/32/09/659993209.db2.gz JPNHIXXOGOLMIZ-VQHVLOKHSA-N 0 0 323.392 3.032 20 10 DGCDRN CCCCCS(=O)(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000181399516 659998270 /nfs/dbraw/zinc/99/82/70/659998270.db2.gz WAAXGEPPQHNTBP-UHFFFAOYSA-N 0 0 312.479 3.095 20 10 DGCDRN CCc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1CC ZINC000182410609 660051262 /nfs/dbraw/zinc/05/12/62/660051262.db2.gz BLIPWQMUFKKPTA-UHFFFAOYSA-N 0 0 305.399 3.318 20 10 DGCDRN Cc1ccc(CCCC(=O)NCc2ccc(O)c(O)c2)s1 ZINC000182546002 660061420 /nfs/dbraw/zinc/06/14/20/660061420.db2.gz REPSEOUKLIJGCB-UHFFFAOYSA-N 0 0 305.399 3.107 20 10 DGCDRN CCOC(=O)COc1ccc(NCc2cc(F)ccc2O)cc1 ZINC000183916066 660147618 /nfs/dbraw/zinc/14/76/18/660147618.db2.gz CCGHHVLRKSUNQH-UHFFFAOYSA-N 0 0 319.332 3.085 20 10 DGCDRN COc1cc(O)c(CN2CCc3c2cccc3F)cc1OC ZINC000184428758 660168183 /nfs/dbraw/zinc/16/81/83/660168183.db2.gz KCRCLOBFSZMAJG-UHFFFAOYSA-N 0 0 303.333 3.111 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)C[C@H]2CC[C@@H](C3CC3)O2)cc1 ZINC000929527604 661315007 /nfs/dbraw/zinc/31/50/07/661315007.db2.gz SUUCWEOFUHRYQH-MSOLQXFVSA-N 0 0 316.445 3.059 20 10 DGCDRN C[C@H]1CCN(C(=O)/C=C\c2cn(C)cn2)c2ccccc2S1 ZINC000929691130 661329112 /nfs/dbraw/zinc/32/91/12/661329112.db2.gz YMVJLKSZPDFQMM-WSROAFLRSA-N 0 0 313.426 3.351 20 10 DGCDRN CCc1onc(C)c1CN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000929707966 661330924 /nfs/dbraw/zinc/33/09/24/661330924.db2.gz PBNHPYKZHGXALN-UHFFFAOYSA-N 0 0 320.389 3.208 20 10 DGCDRN COc1ccc(N(CCCCCNC(C)=O)C(C)C)cc1F ZINC000929951620 661353315 /nfs/dbraw/zinc/35/33/15/661353315.db2.gz SNQCEWKXEHHXSE-UHFFFAOYSA-N 0 0 310.413 3.356 20 10 DGCDRN C[C@@H](NC(=O)[C@@]1(C)C=CCC1)c1ccc(N2CCOCC2)cc1 ZINC000930745220 661426786 /nfs/dbraw/zinc/42/67/86/661426786.db2.gz UCNWTHDYUCEEHO-BEFAXECRSA-N 0 0 314.429 3.057 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1cc(C)on1 ZINC000930905758 661438307 /nfs/dbraw/zinc/43/83/07/661438307.db2.gz OXIGCDKEOJWISV-UHFFFAOYSA-N 0 0 315.417 3.030 20 10 DGCDRN C[C@@H](C1CC1)n1nccc1NC(=O)N1Cc2cccc(O)c2C1 ZINC000930921706 661439317 /nfs/dbraw/zinc/43/93/17/661439317.db2.gz JIZHDNRUWXFSCG-NSHDSACASA-N 0 0 312.373 3.107 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C[C@@H]2CCCC2(F)F)cc1F ZINC000931147402 661456601 /nfs/dbraw/zinc/45/66/01/661456601.db2.gz SSWDSYZIEILXFC-LBPRGKRZSA-N 0 0 314.351 3.333 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)Nc1cc2c(cn1)CCC2 ZINC000931570161 661489848 /nfs/dbraw/zinc/48/98/48/661489848.db2.gz FPFQMPAFEMZXMO-UHFFFAOYSA-N 0 0 317.776 3.251 20 10 DGCDRN C[C@H](C(=O)NCCCSc1nccs1)c1cccc(O)c1 ZINC000932686964 661591336 /nfs/dbraw/zinc/59/13/36/661591336.db2.gz OBBDJKWLAJUTSR-NSHDSACASA-N 0 0 322.455 3.251 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cccc2c1CCOC2 ZINC000932942869 661611249 /nfs/dbraw/zinc/61/12/49/661611249.db2.gz HHTJJDZHIDLWGK-UHFFFAOYSA-N 0 0 324.424 3.064 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H]2CCCC2(F)F)c1 ZINC000934940628 661749994 /nfs/dbraw/zinc/74/99/94/661749994.db2.gz SABSUWQVQWWKDC-MNOVXSKESA-N 0 0 313.344 3.404 20 10 DGCDRN C[C@H](NC(=O)c1cc(Cl)ncc1F)c1ccc(N(C)C)cc1 ZINC000935463367 661787832 /nfs/dbraw/zinc/78/78/32/661787832.db2.gz IOFXGNSCADXTGZ-JTQLQIEISA-N 0 0 321.783 3.431 20 10 DGCDRN C[C@@H](NC(=O)[C@H](C)c1cccc(O)c1)c1ccc(N(C)C)cc1 ZINC000935465836 661788230 /nfs/dbraw/zinc/78/82/30/661788230.db2.gz UFANMQWCVMZQRC-ZIAGYGMSSA-N 0 0 312.413 3.439 20 10 DGCDRN CCOc1ccc(O)c([C@@H]2Nc3ccccc3C(=O)N2CC)c1 ZINC000042186094 661838587 /nfs/dbraw/zinc/83/85/87/661838587.db2.gz KMQQJDOCKWBSKW-QGZVFWFLSA-N 0 0 312.369 3.377 20 10 DGCDRN COc1cccc(CNC(=O)/C=C/c2ccc(Cl)cc2)c1O ZINC000155368632 661845726 /nfs/dbraw/zinc/84/57/26/661845726.db2.gz RCRWLDJEJFFHCU-JXMROGBWSA-N 0 0 317.772 3.384 20 10 DGCDRN COCC1CC[NH+](Cc2cccc(Br)c2[O-])CC1 ZINC000156034167 661856914 /nfs/dbraw/zinc/85/69/14/661856914.db2.gz WTYDZOQEQXITEP-UHFFFAOYSA-N 0 0 314.223 3.013 20 10 DGCDRN C[N@@H+](Cc1cccc(Br)c1[O-])CC1CCOCC1 ZINC000156026835 661857056 /nfs/dbraw/zinc/85/70/56/661857056.db2.gz FELAYTUHDDRZLM-UHFFFAOYSA-N 0 0 314.223 3.013 20 10 DGCDRN O=C1NC(=S)S/C1=C/c1ccc(F)c(C(F)(F)F)c1 ZINC000158625553 661875631 /nfs/dbraw/zinc/87/56/31/661875631.db2.gz FUJSRQOWBIGASB-XBXARRHUSA-N 0 0 307.293 3.333 20 10 DGCDRN COc1cccc(CNC(=O)c2ccc(Cl)c(F)c2)c1O ZINC000158642383 661875670 /nfs/dbraw/zinc/87/56/70/661875670.db2.gz IISCUBXJNWMIGA-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN Cc1cc(NS(=O)(=O)C2=Cc3ccccc3CC2)ccc1O ZINC000158859838 661879435 /nfs/dbraw/zinc/87/94/35/661879435.db2.gz DNIOTDSVMFGPGW-UHFFFAOYSA-N 0 0 315.394 3.430 20 10 DGCDRN CC[C@@H](Sc1ccccc1)C(=O)NCc1ccc(O)c(O)c1 ZINC000158923856 661880452 /nfs/dbraw/zinc/88/04/52/661880452.db2.gz LDMXTEZXACIGPK-MRXNPFEDSA-N 0 0 317.410 3.285 20 10 DGCDRN C[C@@H](Sc1nccs1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000048874437 661897020 /nfs/dbraw/zinc/89/70/20/661897020.db2.gz NQPGUYRZUOWMBC-SNVBAGLBSA-N 0 0 307.444 3.328 20 10 DGCDRN COC(=O)c1ccc(NCc2cccc(C)c2O)c(OC)c1 ZINC000188709753 661940716 /nfs/dbraw/zinc/94/07/16/661940716.db2.gz GCGHNZYJPKDRFP-UHFFFAOYSA-N 0 0 301.342 3.108 20 10 DGCDRN CCc1ccccc1CC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000188909536 661953166 /nfs/dbraw/zinc/95/31/66/661953166.db2.gz SBSAKLJUPMQIKE-CYBMUJFWSA-N 0 0 313.397 3.383 20 10 DGCDRN CO[C@H]1CCCN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000076244565 661975416 /nfs/dbraw/zinc/97/54/16/661975416.db2.gz GFGDBMGXMWTAIR-AWEZNQCLSA-N 0 0 318.442 3.407 20 10 DGCDRN Cc1cc(C(=O)Nc2cnns2)c(C)n1-c1ccc(F)cc1 ZINC000189558657 661981720 /nfs/dbraw/zinc/98/17/20/661981720.db2.gz YXQUDYPTUWXKNL-UHFFFAOYSA-N 0 0 316.361 3.337 20 10 DGCDRN CN(C)c1ccc(CNCc2nccn2-c2ccccc2)cc1F ZINC000190907424 662048861 /nfs/dbraw/zinc/04/88/61/662048861.db2.gz WURZFMRHJVJCSN-UHFFFAOYSA-N 0 0 324.403 3.367 20 10 DGCDRN CC(C)Oc1ccc(N(C)Cc2cc(=O)n3ccccc3n2)cc1 ZINC000191582906 662073006 /nfs/dbraw/zinc/07/30/06/662073006.db2.gz JEIZXHIIJUOFNH-UHFFFAOYSA-N 0 0 323.396 3.118 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)OCC(F)(F)F ZINC000191821064 662081355 /nfs/dbraw/zinc/08/13/55/662081355.db2.gz BRFRHIJTRLLUGJ-UHFFFAOYSA-N 0 0 302.296 3.075 20 10 DGCDRN CC(C)Oc1ccc(N(C)Cc2cc(C(N)=O)cs2)cc1 ZINC000192036851 662086203 /nfs/dbraw/zinc/08/62/03/662086203.db2.gz FZEHVISVLCCWMJ-UHFFFAOYSA-N 0 0 304.415 3.271 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ccncc1C(F)(F)F ZINC000192232470 662092275 /nfs/dbraw/zinc/09/22/75/662092275.db2.gz VBUUCVZEMVPVDX-UHFFFAOYSA-N 0 0 310.275 3.078 20 10 DGCDRN CN1C(=O)/C(=C/c2cc(Br)cs2)SC1=S ZINC000192839425 662112697 /nfs/dbraw/zinc/11/26/97/662112697.db2.gz GMYCFKFAFPEQDD-CLTKARDFSA-N 0 0 320.258 3.342 20 10 DGCDRN CCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2O)C1(CC)CC ZINC000193129721 662123646 /nfs/dbraw/zinc/12/36/46/662123646.db2.gz IDASIWHHACTCOG-HUUCEWRRSA-N 0 0 321.417 3.154 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Nc1nc2c(s1)CCCC2 ZINC000193496905 662136407 /nfs/dbraw/zinc/13/64/07/662136407.db2.gz JVAKVVJUHYPPBB-UHFFFAOYSA-N 0 0 317.414 3.391 20 10 DGCDRN O=C(CSc1ccc([N+](=O)[O-])cc1F)c1ccc(O)c(O)c1 ZINC000193504665 662136745 /nfs/dbraw/zinc/13/67/45/662136745.db2.gz GYJFKDUCARKSDV-UHFFFAOYSA-N 0 0 323.301 3.120 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC2CCSCC2)cc1 ZINC000195472547 662190583 /nfs/dbraw/zinc/19/05/83/662190583.db2.gz PUBSJVFKXGHVIR-UHFFFAOYSA-N 0 0 321.490 3.228 20 10 DGCDRN CCOC(=O)CN(Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000091772997 662317631 /nfs/dbraw/zinc/31/76/31/662317631.db2.gz CNDNPAYFFKFMIO-UHFFFAOYSA-N 0 0 316.445 3.204 20 10 DGCDRN C[C@H]1CN(Cc2cc(Cl)ccc2O)CCN1CC(F)(F)F ZINC000092102929 662327311 /nfs/dbraw/zinc/32/73/11/662327311.db2.gz AYGMMFKAEZKOCY-JTQLQIEISA-N 0 0 322.758 3.114 20 10 DGCDRN CC[N@H+](C)C[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000093770356 662359869 /nfs/dbraw/zinc/35/98/69/662359869.db2.gz CBAQLFWXWCPESH-LLVKDONJSA-N 0 0 317.260 3.473 20 10 DGCDRN C[C@@H](Sc1nccs1)C(=O)N1CCc2ccccc2C1 ZINC000133216433 685068104 /nfs/dbraw/zinc/06/81/04/685068104.db2.gz TWAORVNSKUBSSJ-LLVKDONJSA-N 0 0 304.440 3.209 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C(F)(F)c2ccc(F)cc2)cc1 ZINC000147391847 685090058 /nfs/dbraw/zinc/09/00/58/685090058.db2.gz HUEAMNNLGWETJT-UHFFFAOYSA-N 0 0 322.330 3.300 20 10 DGCDRN Cc1cc(C(=O)NCCc2ncc[nH]2)c(C)n1-c1cccc(C)c1 ZINC000172991243 685103946 /nfs/dbraw/zinc/10/39/46/685103946.db2.gz FDJVBRSPZKVDCH-UHFFFAOYSA-N 0 0 322.412 3.098 20 10 DGCDRN C[C@@H]1CN(C(=O)/C=C/c2cncc(F)c2)c2ccc(F)cc2O1 ZINC000173519976 685104759 /nfs/dbraw/zinc/10/47/59/685104759.db2.gz PQFXSKJCVJFPDK-XGQHYKRYSA-N 0 0 316.307 3.187 20 10 DGCDRN CCN(CC)c1ccc(CNc2ccc(-n3cnnn3)cc2)cc1 ZINC000378957496 685147201 /nfs/dbraw/zinc/14/72/01/685147201.db2.gz UPQVAPQKGXGNAI-UHFFFAOYSA-N 0 0 322.416 3.121 20 10 DGCDRN Cc1ccc([C@H](C)Nc2cccc(N3CCNC3=O)c2)c(O)c1 ZINC000390313907 685200587 /nfs/dbraw/zinc/20/05/87/685200587.db2.gz OFKVNQYFCUJEKD-ZDUSSCGKSA-N 0 0 311.385 3.403 20 10 DGCDRN CCN(CC)c1ccc(CNCc2nn(C)cc2Cl)cc1 ZINC000393502446 685217837 /nfs/dbraw/zinc/21/78/37/685217837.db2.gz KCYYSADOUOTTKJ-UHFFFAOYSA-N 0 0 306.841 3.210 20 10 DGCDRN C[C@@H]1C[C@H](NC(=O)Nc2ccc(N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000398187760 685235016 /nfs/dbraw/zinc/23/50/16/685235016.db2.gz YPNLTPUOXPBHOJ-KDOFPFPSSA-N 0 0 324.428 3.053 20 10 DGCDRN Cc1ccc(CC2CN(C(=O)NCCc3ccc(N)cc3)C2)cc1 ZINC001579684741 1191986883 /nfs/dbraw/zinc/98/68/83/1191986883.db2.gz REVRRWFMXVBCTO-UHFFFAOYSA-N 0 0 323.440 3.004 20 10 DGCDRN Nc1ccc(CCNC(=O)CO[C@H]2CCCc3ccccc32)cc1 ZINC001580443417 1192027187 /nfs/dbraw/zinc/02/71/87/1192027187.db2.gz CXQIXJFYRSOIFH-IBGZPJMESA-N 0 0 324.424 3.022 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCN1Cc2ccccc2C1 ZINC001620749908 1192081651 /nfs/dbraw/zinc/08/16/51/1192081651.db2.gz VWDXKCPIAFZYPP-UHFFFAOYSA-N 0 0 320.795 3.290 20 10 DGCDRN Cc1cn2cc(NC(=O)c3ccc(N=NC(N)=O)cc3)ccc2n1 ZINC001584023675 1192174086 /nfs/dbraw/zinc/17/40/86/1192174086.db2.gz UPGJMDPLYXVNLQ-UHFFFAOYSA-N 0 0 322.328 3.057 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccc3[nH]c(=O)cc(C)c3c2)c(O)c1O ZINC001585113949 1192242349 /nfs/dbraw/zinc/24/23/49/1192242349.db2.gz FAUVIGQQBDUZKP-UHFFFAOYSA-N 0 0 324.336 3.221 20 10 DGCDRN C[C@@H](NC(=O)c1cccc(-c2cnn(C)c2)c1)c1ccccc1O ZINC001587447540 1192400822 /nfs/dbraw/zinc/40/08/22/1192400822.db2.gz WFRSOGYMFONRAI-CYBMUJFWSA-N 0 0 321.380 3.284 20 10 DGCDRN C[C@H](NC(=O)c1cnnc(-c2ccccc2)c1)c1ccccc1O ZINC001587451333 1192400874 /nfs/dbraw/zinc/40/08/74/1192400874.db2.gz QGQFGRINLFRIAM-ZDUSSCGKSA-N 0 0 319.364 3.340 20 10 DGCDRN Cc1cc(CNC(=O)[C@H]2CCCO2)c(C)n1-c1cccc(C)c1 ZINC001587881227 1192423240 /nfs/dbraw/zinc/42/32/40/1192423240.db2.gz SPGQRJUYKSAZFV-GOSISDBHSA-N 0 0 312.413 3.198 20 10 DGCDRN CNc1cc(Cl)ccc1C(=O)N1Cc2cccc(O)c2C1 ZINC001587933266 1192425990 /nfs/dbraw/zinc/42/59/90/1192425990.db2.gz PNOWNRLCXGFPNB-UHFFFAOYSA-N 0 0 302.761 3.243 20 10 DGCDRN Cc1ccc(C(=O)Nc2cccc(-n3cccc3)c2)c(O)c1O ZINC001588249845 1192440828 /nfs/dbraw/zinc/44/08/28/1192440828.db2.gz NPNIRBOOBNOINH-UHFFFAOYSA-N 0 0 308.337 3.449 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1[O-])c1ccsc1 ZINC001589952361 1192477709 /nfs/dbraw/zinc/47/77/09/1192477709.db2.gz NNQAIDJNEPMGTL-UWVGGRQHSA-N 0 0 315.402 3.046 20 10 DGCDRN Cc1cc(C(=O)N2C[C@@H]3COC[C@@H]3C2)c(C)n1-c1ccccc1C ZINC001594480526 1192644802 /nfs/dbraw/zinc/64/48/02/1192644802.db2.gz LUSQQBQISGUWLO-CALCHBBNSA-N 0 0 324.424 3.121 20 10 DGCDRN Cc1cc(C(=O)N2C[C@@H]3COC[C@@H]3C2)c(C)n1-c1cccc(C)c1 ZINC001594480444 1192644884 /nfs/dbraw/zinc/64/48/84/1192644884.db2.gz LGLITHCEDWDELZ-CALCHBBNSA-N 0 0 324.424 3.121 20 10 DGCDRN CC(C)(C(=O)NCc1ccccc1O)c1ccc(F)cc1F ZINC001595799731 1192670652 /nfs/dbraw/zinc/67/06/52/1192670652.db2.gz GKVUQIYEEXYCFN-UHFFFAOYSA-N 0 0 305.324 3.264 20 10 DGCDRN CC(=O)c1ccc(N(C)C(=O)C=Cc2scnc2C)cc1 ZINC001596402432 1192692243 /nfs/dbraw/zinc/69/22/43/1192692243.db2.gz VEDIXCHQCTYPIU-HJWRWDBZSA-N 0 0 300.383 3.330 20 10 DGCDRN COc1cccc(CC(=O)NCc2c(O)cccc2F)c1Cl ZINC001596917086 1192710841 /nfs/dbraw/zinc/71/08/41/1192710841.db2.gz VGHFRSJNQXRBLH-UHFFFAOYSA-N 0 0 323.751 3.052 20 10 DGCDRN CN(C(=O)/C=C\c1cn(C)cn1)c1ccc(-c2nccs2)cc1 ZINC001596779397 1192705967 /nfs/dbraw/zinc/70/59/67/1192705967.db2.gz SSVNEHWDGWTYMU-YVMONPNESA-N 0 0 324.409 3.220 20 10 DGCDRN Cc1ccn([C@H](C)CC(=O)NCc2c(O)ccc3ccccc32)n1 ZINC001597742542 1192745027 /nfs/dbraw/zinc/74/50/27/1192745027.db2.gz NFIUXBLTBPIVFW-CQSZACIVSA-N 0 0 323.396 3.318 20 10 DGCDRN Cc1oc(C[N@@H+](C)Cc2cc(C)cc(C)c2O)cc1C(=O)[O-] ZINC001600163378 1192798343 /nfs/dbraw/zinc/79/83/43/1192798343.db2.gz KLNWULWNODWRFP-UHFFFAOYSA-N 0 0 303.358 3.241 20 10 DGCDRN Cc1cc(C[NH2+][C@H]2CCC[C@H]2C(=O)[O-])ccc1N1CCCCC1 ZINC001600211587 1192810298 /nfs/dbraw/zinc/81/02/98/1192810298.db2.gz BQABHJFYTATZCW-SJORKVTESA-N 0 0 316.445 3.328 20 10 DGCDRN O=C(CNc1cc(F)cc2[nH]ccc21)c1ccc(O)c(O)c1 ZINC001170314577 1177732878 /nfs/dbraw/zinc/73/28/78/1177732878.db2.gz FOOFISVPVCZOKY-UHFFFAOYSA-N 0 0 300.289 3.013 20 10 DGCDRN CCCc1ccccc1S(=O)(=O)N1Cc2cccc(O)c2C1 ZINC001671087031 1177775759 /nfs/dbraw/zinc/77/57/59/1177775759.db2.gz WZVAHAPJUNONMC-UHFFFAOYSA-N 0 0 317.410 3.049 20 10 DGCDRN Cc1ccn(C[C@H](C)C(=O)NCc2c(O)ccc3ccccc32)n1 ZINC001157049642 1178040013 /nfs/dbraw/zinc/04/00/13/1178040013.db2.gz BLNFVDDXFYHXBB-ZDUSSCGKSA-N 0 0 323.396 3.003 20 10 DGCDRN CC[C@H](CC(F)F)C(=O)Nc1c2nonc2ccc1Cl ZINC001331138597 1178142126 /nfs/dbraw/zinc/14/21/26/1178142126.db2.gz JGFDWGDTMBIHCS-ZCFIWIBFSA-N 0 0 303.696 3.496 20 10 DGCDRN Cc1ccc2c(c1)CC[C@H]2NC(=O)NCc1cc(C)ccc1O ZINC001331510107 1178230692 /nfs/dbraw/zinc/23/06/92/1178230692.db2.gz CYPWWTNRRVGOAT-QGZVFWFLSA-N 0 0 310.397 3.496 20 10 DGCDRN Cc1cccc(CCC[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)n1 ZINC001600529431 1192867259 /nfs/dbraw/zinc/86/72/59/1192867259.db2.gz ILVMGVDTLIBLAV-ZDUSSCGKSA-N 0 0 314.385 3.077 20 10 DGCDRN Cc1cccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1O ZINC001600533475 1192869102 /nfs/dbraw/zinc/86/91/02/1192869102.db2.gz SVNUEPFJUXDVFX-DLBZAZTESA-N 0 0 311.381 3.001 20 10 DGCDRN Nc1ccc(Cc2noc(-c3ccc(OCC4CC4)nc3)n2)cc1 ZINC001332359308 1178427862 /nfs/dbraw/zinc/42/78/62/1178427862.db2.gz MIDGYRYZWAIDJJ-UHFFFAOYSA-N 0 0 322.368 3.093 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001332538104 1178460958 /nfs/dbraw/zinc/46/09/58/1178460958.db2.gz HBLALXUXNVPKBB-KXUCPTDWSA-N 0 0 303.749 3.417 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]CCCC(F)F ZINC001332796220 1178499927 /nfs/dbraw/zinc/49/99/27/1178499927.db2.gz BQQKRGZEJAQILR-UHFFFAOYSA-N 0 0 312.129 3.429 20 10 DGCDRN CCc1nccc(N2CC=C(c3ccc(Cl)nc3)CC2)n1 ZINC001333392621 1178598261 /nfs/dbraw/zinc/59/82/61/1178598261.db2.gz LRQUSGMCLTXDAV-UHFFFAOYSA-N 0 0 300.793 3.381 20 10 DGCDRN Cc1cc(C(=O)NCCCC(F)F)c(C)n1-c1ccccn1 ZINC001333625527 1178641102 /nfs/dbraw/zinc/64/11/02/1178641102.db2.gz JBUCWPUQLQSEMW-UHFFFAOYSA-N 0 0 307.344 3.264 20 10 DGCDRN Cc1ncsc1/C=C\C(=O)Nc1c2nonc2ccc1Cl ZINC001334716079 1178783872 /nfs/dbraw/zinc/78/38/72/1178783872.db2.gz JIRPPIYHTLSNFV-PLNGDYQASA-N 0 0 320.761 3.293 20 10 DGCDRN Cc1sc([C@@H]2CCC[N@@H+]2Cc2ccccc2O)nc1C(=O)[O-] ZINC001600882405 1192908135 /nfs/dbraw/zinc/90/81/35/1192908135.db2.gz DKQPQWHOZUNBJB-LBPRGKRZSA-N 0 0 318.398 3.192 20 10 DGCDRN CCN(CC)c1ccc(C[N@H+](C)C(C)(C)CC(=O)[O-])cc1F ZINC001334794075 1178799297 /nfs/dbraw/zinc/79/92/97/1178799297.db2.gz PFGYPENIVVATIF-UHFFFAOYSA-N 0 0 310.413 3.357 20 10 DGCDRN COC(=O)COc1ccc(N(C)CCCC(F)(F)F)cc1 ZINC001334873503 1178818673 /nfs/dbraw/zinc/81/86/73/1178818673.db2.gz UVAJQTAGINOPOI-UHFFFAOYSA-N 0 0 305.296 3.017 20 10 DGCDRN Nc1ccc(CNC(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cc1 ZINC001335525996 1178927014 /nfs/dbraw/zinc/92/70/14/1178927014.db2.gz RBHCFAFQPFOOHS-CZIWCDLHSA-N 0 0 313.376 3.153 20 10 DGCDRN Cc1ccccc1[C@H]1C[C@H](NC(=O)NCc2ccc(N)cc2)C1 ZINC001335560885 1178930623 /nfs/dbraw/zinc/93/06/23/1178930623.db2.gz UFKPDMOYRLOWPH-JCNLHEQBSA-N 0 0 309.413 3.323 20 10 DGCDRN Nc1ccc(CNC(=O)N[C@H]2C[C@H](c3ccccc3F)C2)cc1 ZINC001335665248 1178941434 /nfs/dbraw/zinc/94/14/34/1178941434.db2.gz HIGWSENEALRZMQ-CTYIDZIISA-N 0 0 313.376 3.153 20 10 DGCDRN Nc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CC2)cc1 ZINC001335730683 1178946176 /nfs/dbraw/zinc/94/61/76/1178946176.db2.gz OEAAHNHRNHRZNH-UHFFFAOYSA-N 0 0 313.376 3.282 20 10 DGCDRN CON(C[C@H]1CCC[C@@H](C)C1)C(=O)NCc1ccc(N)cc1 ZINC001335737006 1178946741 /nfs/dbraw/zinc/94/67/41/1178946741.db2.gz JJDFKWWZAHTEGK-HIFRSBDPSA-N 0 0 305.422 3.168 20 10 DGCDRN CC1(C)COc2cc(NCc3ccc(N)cc3)ccc2NC1=O ZINC001336119738 1178995247 /nfs/dbraw/zinc/99/52/47/1178995247.db2.gz UBGSUPBWSSJHCH-UHFFFAOYSA-N 0 0 311.385 3.238 20 10 DGCDRN CC1(C)CC(=O)N1CN1CCCc2cc(OC(F)F)ccc21 ZINC001341426349 1179006008 /nfs/dbraw/zinc/00/60/08/1179006008.db2.gz XSFYLODIQXVXOC-UHFFFAOYSA-N 0 0 310.344 3.009 20 10 DGCDRN CC(C)n1nccc1NC(=O)c1ccc(C2=S=CC=C2)s1 ZINC001342180811 1179113517 /nfs/dbraw/zinc/11/35/17/1179113517.db2.gz PWQJSMHBUXYHMH-UHFFFAOYSA-N 0 0 317.439 3.404 20 10 DGCDRN C[C@H]1CCC[C@H](OCC(=O)Nc2c3nonc3ccc2Cl)C1 ZINC001342950597 1179215452 /nfs/dbraw/zinc/21/54/52/1179215452.db2.gz HLIMKWBZXMECBR-UWVGGRQHSA-N 0 0 323.780 3.410 20 10 DGCDRN Cc1ccc(N2CCCC2)c(C(=O)NCc2ccc(N)cc2)c1 ZINC001343474322 1179282002 /nfs/dbraw/zinc/28/20/02/1179282002.db2.gz VJZCYQQMBOEKCY-UHFFFAOYSA-N 0 0 309.413 3.107 20 10 DGCDRN CC(C)Cn1c(C2SC=CC2=O)nnc1N1CC[C@@H](C)C1 ZINC001344502307 1179442572 /nfs/dbraw/zinc/44/25/72/1179442572.db2.gz HLBLIFLCXCKBOB-LLVKDONJSA-N 0 0 306.435 3.214 20 10 DGCDRN O=C([O-])C[N@@H+](CCc1ccccc1)Cc1c(O)cccc1Cl ZINC001602056709 1192957522 /nfs/dbraw/zinc/95/75/22/1192957522.db2.gz FHQGSJYCNSWGNE-UHFFFAOYSA-N 0 0 319.788 3.175 20 10 DGCDRN CC[C@H](C)n1nccc1C(=O)NCCCSc1nccs1 ZINC001346433077 1179700366 /nfs/dbraw/zinc/70/03/66/1179700366.db2.gz RPWDXNHEDPMWQE-NSHDSACASA-N 0 0 324.475 3.223 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]CC2(CC(=O)[O-])CC2)cc1F ZINC001349374685 1179900383 /nfs/dbraw/zinc/90/03/83/1179900383.db2.gz BVZKVLZRQONKHC-UHFFFAOYSA-N 0 0 308.397 3.016 20 10 DGCDRN CCOC1CC2(C[C@H]2C(=O)Nc2c3nonc3ccc2Cl)C1 ZINC001349484921 1179908562 /nfs/dbraw/zinc/90/85/62/1179908562.db2.gz CCUTVGOFOKGYKN-WWNCPBBQSA-N 0 0 321.764 3.020 20 10 DGCDRN CC[C@@H](C)[C@@H](OC)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001351164066 1180181339 /nfs/dbraw/zinc/18/13/39/1180181339.db2.gz SVWRWPPVHPNJFQ-CRAIPNDOSA-N 0 0 318.461 3.306 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1 ZINC001351256074 1180191211 /nfs/dbraw/zinc/19/12/11/1180191211.db2.gz MIFZQXFMNYZRAE-YUELXQCFSA-N 0 0 308.372 3.050 20 10 DGCDRN COc1ccc(CNCc2cc(F)c(N(C)C)cc2F)c(F)c1 ZINC001351315939 1180198574 /nfs/dbraw/zinc/19/85/74/1180198574.db2.gz SXYKRYXPDTXKBU-UHFFFAOYSA-N 0 0 324.346 3.468 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cnoc2C(C)C)c1 ZINC001351666642 1180235435 /nfs/dbraw/zinc/23/54/35/1180235435.db2.gz MWHQBTCDLZQGTJ-SNVBAGLBSA-N 0 0 304.346 3.003 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1SCCS1 ZINC001351673725 1180236142 /nfs/dbraw/zinc/23/61/42/1180236142.db2.gz NJLIZOIJGHAPEL-UHFFFAOYSA-N 0 0 322.499 3.051 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1C[C@@H](C)CC[C@H]1C ZINC001352321451 1180320261 /nfs/dbraw/zinc/32/02/61/1180320261.db2.gz PKLRIYPAUWAOEZ-WDEREUQCSA-N 0 0 306.435 3.357 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001352321154 1180320337 /nfs/dbraw/zinc/32/03/37/1180320337.db2.gz NSWHWSYHAKSQFU-QWRGUYRKSA-N 0 0 306.435 3.214 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001352321146 1180320855 /nfs/dbraw/zinc/32/08/55/1180320855.db2.gz NSWHWSYHAKSQFU-GHMZBOCLSA-N 0 0 306.435 3.214 20 10 DGCDRN CN(CCC[N@H+](C)Cc1cc(F)cc(F)c1[O-])Cc1ccco1 ZINC001621319576 1193027575 /nfs/dbraw/zinc/02/75/75/1193027575.db2.gz HXPWPSGDWZERLL-UHFFFAOYSA-N 0 0 324.371 3.217 20 10 DGCDRN COc1c[nH]nc1NC(=O)c1sccc1-n1c(C)ccc1C ZINC001300168526 1180439310 /nfs/dbraw/zinc/43/93/10/1180439310.db2.gz SECYLKQIXFPELG-UHFFFAOYSA-N 0 0 316.386 3.140 20 10 DGCDRN O=C(CCSc1ccccn1)NCc1cc(Cl)ccc1O ZINC001300396479 1180639177 /nfs/dbraw/zinc/63/91/77/1180639177.db2.gz VQLQILHDIQOZAK-UHFFFAOYSA-N 0 0 322.817 3.239 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C[C@H]1CCCCO1 ZINC001353910443 1180680819 /nfs/dbraw/zinc/68/08/19/1180680819.db2.gz JODQMVXBZUAUEG-GOSISDBHSA-N 0 0 316.445 3.204 20 10 DGCDRN CC[C@@H](C)NC(=S)Nc1ccccc1C(=O)c1ccncc1 ZINC001200498139 1180684065 /nfs/dbraw/zinc/68/40/65/1180684065.db2.gz YQTFCTRBCOCKJG-GFCCVEGCSA-N 0 0 313.426 3.398 20 10 DGCDRN CCN(Cc1cccc(OC)c1)C(=S)NCc1ccco1 ZINC001200558742 1180718153 /nfs/dbraw/zinc/71/81/53/1180718153.db2.gz FXERSQPVQJPLRF-UHFFFAOYSA-N 0 0 304.415 3.185 20 10 DGCDRN COc1ccc2c(c1)CN(C(=S)NCc1ccco1)CCC2 ZINC001200564052 1180720918 /nfs/dbraw/zinc/72/09/18/1180720918.db2.gz FLBUKACCKHFFMY-UHFFFAOYSA-N 0 0 316.426 3.111 20 10 DGCDRN O=C(Nc1ccc(Nc2ccccc2)cn1)c1cccc(O)c1O ZINC001472603391 1180776164 /nfs/dbraw/zinc/77/61/64/1180776164.db2.gz GGYOPPDJFCHWMA-UHFFFAOYSA-N 0 0 321.336 3.489 20 10 DGCDRN Oc1ccc(Cl)cc1CNc1ccc(C(F)(F)F)nn1 ZINC001472825919 1180891482 /nfs/dbraw/zinc/89/14/82/1180891482.db2.gz ZYMOVTIPHGXTMM-UHFFFAOYSA-N 0 0 303.671 3.467 20 10 DGCDRN C[C@@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)N1CCCC[C@@H]1C ZINC001604331807 1193065984 /nfs/dbraw/zinc/06/59/84/1193065984.db2.gz GSHIPBVKXDIYGF-IHRRRGAJSA-N 0 0 320.433 3.004 20 10 DGCDRN COc1cc(C)c(NCc2ccc(OC)c(OC)c2O)cc1F ZINC001355278503 1181027420 /nfs/dbraw/zinc/02/74/20/1181027420.db2.gz KPOLNLHHDKOPRQ-UHFFFAOYSA-N 0 0 321.348 3.478 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1CC[C@H](C(C)C)C1 ZINC001356276237 1181167903 /nfs/dbraw/zinc/16/79/03/1181167903.db2.gz DWOKUHVVTMFHAF-NSHDSACASA-N 0 0 306.435 3.214 20 10 DGCDRN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)NCc1ccc(N)cc1 ZINC001357791855 1181428018 /nfs/dbraw/zinc/42/80/18/1181428018.db2.gz QCBSLAYPKPXPFR-PWSUYJOCSA-N 0 0 315.339 3.141 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C(F)=C1CCCC1 ZINC001435285245 1181801586 /nfs/dbraw/zinc/80/15/86/1181801586.db2.gz CQGFQTKMKLEYBD-UHFFFAOYSA-N 0 0 304.365 3.276 20 10 DGCDRN Cc1cc(CCNC(=O)[C@@H]2C[C@H]2F)c(C)n1-c1ccccc1 ZINC001438176277 1181962144 /nfs/dbraw/zinc/96/21/44/1181962144.db2.gz DOOHLKMUNZXHHR-IAGOWNOFSA-N 0 0 300.377 3.111 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCCCCO ZINC001441909724 1182070802 /nfs/dbraw/zinc/07/08/02/1182070802.db2.gz DERUZROUMZTYSS-UHFFFAOYSA-N 0 0 306.450 3.042 20 10 DGCDRN CN(C(=O)c1ccccc1-c1cn[nH]c1)c1ccc2c(c1)OCO2 ZINC001446242520 1182165295 /nfs/dbraw/zinc/16/52/95/1182165295.db2.gz KKFNGCGARVCVNR-UHFFFAOYSA-N 0 0 321.336 3.082 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C)C(C)(C)C1(C)C ZINC001447566388 1182192401 /nfs/dbraw/zinc/19/24/01/1182192401.db2.gz WWHFUDIYXYXTSL-NSHDSACASA-N 0 0 305.418 3.217 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1C[C@@H](O)C1(C)C ZINC001448027989 1182200650 /nfs/dbraw/zinc/20/06/50/1182200650.db2.gz NRELICAQZBMGBS-ZIAGYGMSSA-N 0 0 318.442 3.045 20 10 DGCDRN Cc1cc(C(=O)NC2CC(=O)C2)c(C)n1-c1cccc(Cl)c1 ZINC001450091699 1182241207 /nfs/dbraw/zinc/24/12/07/1182241207.db2.gz DAMYYTMPCJPROP-UHFFFAOYSA-N 0 0 316.788 3.209 20 10 DGCDRN Cc1nc2ccccc2c(C)c1C(=O)NCc1ccc(O)cc1O ZINC001451773953 1182274982 /nfs/dbraw/zinc/27/49/82/1182274982.db2.gz ZYFSPVPZXGYSOP-UHFFFAOYSA-N 0 0 322.364 3.193 20 10 DGCDRN O=C(Nc1ccc(CO)cc1)c1cc2cc(O)c(O)cc2s1 ZINC001452442938 1182288571 /nfs/dbraw/zinc/28/85/71/1182288571.db2.gz VALFMVZIKMTASP-UHFFFAOYSA-N 0 0 315.350 3.057 20 10 DGCDRN CC[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(C)c(O)c1O ZINC001453231975 1182312612 /nfs/dbraw/zinc/31/26/12/1182312612.db2.gz UCPBHMCXOADVQE-AWEZNQCLSA-N 0 0 317.360 3.296 20 10 DGCDRN Cc1c[nH]c(CNC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)n1 ZINC001454267762 1182335356 /nfs/dbraw/zinc/33/53/56/1182335356.db2.gz AXCIMSRDPDOWBZ-UHFFFAOYSA-N 0 0 322.412 3.364 20 10 DGCDRN Cc1ccnn1-c1ccc(C(=O)N[C@H](C)c2ccccc2O)cc1 ZINC001454792371 1182353265 /nfs/dbraw/zinc/35/32/65/1182353265.db2.gz DDHCJIYBCANTQC-CQSZACIVSA-N 0 0 321.380 3.377 20 10 DGCDRN Cc1cc(C)cc(CCC(=O)NCc2c(O)cccc2F)c1 ZINC001456030323 1182394978 /nfs/dbraw/zinc/39/49/78/1182394978.db2.gz SCYUQEYXYYJZAI-UHFFFAOYSA-N 0 0 301.361 3.397 20 10 DGCDRN O=C(CSCc1ccc(F)cc1)NCc1c(O)cccc1F ZINC001456094009 1182396632 /nfs/dbraw/zinc/39/66/32/1182396632.db2.gz POKSYPUSGKJXKG-UHFFFAOYSA-N 0 0 323.364 3.220 20 10 DGCDRN CCC1(C(=O)NCc2c(O)ccc3ccccc32)CCOCC1 ZINC001456312138 1182409978 /nfs/dbraw/zinc/40/99/78/1182409978.db2.gz ZGUJNFJAHRTCQN-UHFFFAOYSA-N 0 0 313.397 3.368 20 10 DGCDRN Cc1ccc(CC(=O)NCc2c(O)ccc3ccccc32)cn1 ZINC001456312544 1182410080 /nfs/dbraw/zinc/41/00/80/1182410080.db2.gz TVXCYXQIJOSWTJ-UHFFFAOYSA-N 0 0 306.365 3.108 20 10 DGCDRN CCCCN(Cc1ccccc1O)c1cc(OCC)ncn1 ZINC001458339266 1182515905 /nfs/dbraw/zinc/51/59/05/1182515905.db2.gz CZJRRYADRJISJW-UHFFFAOYSA-N 0 0 301.390 3.388 20 10 DGCDRN COC(=O)c1cnc(Sc2nc3ccccc3nc2F)s1 ZINC001458390506 1182519757 /nfs/dbraw/zinc/51/97/57/1182519757.db2.gz DEAFXZIDGPZALH-UHFFFAOYSA-N 0 0 321.358 3.163 20 10 DGCDRN O=[N+]([O-])c1c(NCc2cc(O)ccc2O)ccc2ncccc21 ZINC001458569372 1182540873 /nfs/dbraw/zinc/54/08/73/1182540873.db2.gz CUMKOIOTOKCZHG-UHFFFAOYSA-N 0 0 311.297 3.166 20 10 DGCDRN COc1ccc2nc(CSc3ncc(Cl)s3)[nH]c2n1 ZINC001459197562 1182573649 /nfs/dbraw/zinc/57/36/49/1182573649.db2.gz LKBVTRKFLGSXBX-UHFFFAOYSA-N 0 0 312.807 3.369 20 10 DGCDRN COC(=O)CN(CCC=C(C)C)Cc1cc(Cl)ccc1O ZINC001459685135 1182604172 /nfs/dbraw/zinc/60/41/72/1182604172.db2.gz KUMMAIYSSOIPKH-UHFFFAOYSA-N 0 0 311.809 3.377 20 10 DGCDRN COc1cc2c(c(OC)c1)N(C[C@@H]1CC(C)(C)CO1)CCC2 ZINC001460245961 1182668038 /nfs/dbraw/zinc/66/80/38/1182668038.db2.gz BRLQPAIIBIAPAJ-HNNXBMFYSA-N 0 0 305.418 3.272 20 10 DGCDRN COc1ccc(N(C)CCCN(C)C(=O)OC(C)(C)C)cc1 ZINC001460336954 1182679181 /nfs/dbraw/zinc/67/91/81/1182679181.db2.gz SVYGNJVCKJNVBW-UHFFFAOYSA-N 0 0 308.422 3.388 20 10 DGCDRN CC[C@H](CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C)OC ZINC001460656728 1182705165 /nfs/dbraw/zinc/70/51/65/1182705165.db2.gz VOUPDAFJPCAERY-GOSISDBHSA-N 0 0 314.429 3.178 20 10 DGCDRN CNC(=O)c1cccc(NCc2cc(F)c(N(C)C)cc2F)c1 ZINC001461292005 1182792255 /nfs/dbraw/zinc/79/22/55/1182792255.db2.gz BMSZBPPHKXSRFO-UHFFFAOYSA-N 0 0 319.355 3.003 20 10 DGCDRN Cc1ncccc1/C=C\C(=O)N1CCOc2cc(F)c(F)cc21 ZINC001461291403 1182792443 /nfs/dbraw/zinc/79/24/43/1182792443.db2.gz LUOWIRJVFCXUFH-PLNGDYQASA-N 0 0 316.307 3.107 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH+]1CC(Cc2ccc(F)cc2)C1 ZINC001462320192 1182938796 /nfs/dbraw/zinc/93/87/96/1182938796.db2.gz IDLMLRDLMJEZIR-UHFFFAOYSA-N 0 0 307.315 3.484 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC001462438592 1182952687 /nfs/dbraw/zinc/95/26/87/1182952687.db2.gz DPLMXBYIYOJWFN-GOSISDBHSA-N 0 0 319.351 3.154 20 10 DGCDRN COCc1ccc(NCc2cc(F)c(F)cc2O)cc1OC ZINC001462483907 1182959626 /nfs/dbraw/zinc/95/96/26/1182959626.db2.gz WLPZWXFJEDQWHB-UHFFFAOYSA-N 0 0 309.312 3.438 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001462567449 1182970252 /nfs/dbraw/zinc/97/02/52/1182970252.db2.gz ZZIYTFBHAINJIL-HNNXBMFYSA-N 0 0 323.314 3.463 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H](CO)CCc1ccccc1 ZINC001462590706 1182972858 /nfs/dbraw/zinc/97/28/58/1182972858.db2.gz NDRPUYZWUXFKKT-CQSZACIVSA-N 0 0 323.795 3.268 20 10 DGCDRN CCc1cccc(CN2CCn3c(C(C)C)nnc3[C@@H]2C)c1O ZINC001462684669 1182985359 /nfs/dbraw/zinc/98/53/59/1182985359.db2.gz PDCFQLCOAQZMJL-ZDUSSCGKSA-N 0 0 314.433 3.246 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OS(=O)(=O)CC3CCC3)cc12 ZINC001463909917 1183056786 /nfs/dbraw/zinc/05/67/86/1183056786.db2.gz XOYOVLLMUSWNEE-UHFFFAOYSA-N 0 0 307.415 3.304 20 10 DGCDRN COC[C@@H](C)OC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001464225464 1183079212 /nfs/dbraw/zinc/07/92/12/1183079212.db2.gz DHUNAAKDGZECKI-CQSZACIVSA-N 0 0 316.401 3.355 20 10 DGCDRN Cc1nc(CNC(=O)c2cc3cc(O)c(O)cc3s2)cs1 ZINC001464295031 1183083887 /nfs/dbraw/zinc/08/38/87/1183083887.db2.gz KEJQFKCMHKNCDO-UHFFFAOYSA-N 0 0 320.395 3.007 20 10 DGCDRN CC(C)C(=O)Nc1cccc(OC(=O)C2=CC(=O)CS2)c1 ZINC001465033013 1183126243 /nfs/dbraw/zinc/12/62/43/1183126243.db2.gz RBHUGUCMDISZLA-UHFFFAOYSA-N 0 0 305.355 3.267 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@]1(O)CCCC(C)(C)C1 ZINC001465028539 1183126553 /nfs/dbraw/zinc/12/65/53/1183126553.db2.gz GSCQJRYHISWVOK-IBGZPJMESA-N 0 0 318.461 3.009 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C=C(/C)c2ccco2)c1 ZINC001465991385 1183181943 /nfs/dbraw/zinc/18/19/43/1183181943.db2.gz CVNZEEQXJZUGBQ-UCQJPZFISA-N 0 0 301.342 3.275 20 10 DGCDRN CO[C@@H](C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O)c1ccccc1 ZINC001606679244 1193202664 /nfs/dbraw/zinc/20/26/64/1193202664.db2.gz AYPMPCKJOVEYLU-PXAZEXFGSA-N 0 0 315.369 3.129 20 10 DGCDRN CN1CCc2ccc(NC(=O)c3ccc(N=NC(N)=O)cc3)cc21 ZINC001466421735 1183203216 /nfs/dbraw/zinc/20/32/16/1183203216.db2.gz ONBLKWDDCQNRKM-UHFFFAOYSA-N 0 0 323.356 3.094 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/C=C(Cl)Cl ZINC001466791158 1183224495 /nfs/dbraw/zinc/22/44/95/1183224495.db2.gz PREBOVRNNWKJCB-LXOKAJLYSA-N 0 0 316.184 3.020 20 10 DGCDRN CC(C)[C@H](CNC(=O)c1cccc(O)c1O)Cc1ccccc1 ZINC001467252923 1183249134 /nfs/dbraw/zinc/24/91/34/1183249134.db2.gz KPHWOGNCSSFBMN-HNNXBMFYSA-N 0 0 313.397 3.343 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C)cc(F)c1 ZINC001467840303 1183292419 /nfs/dbraw/zinc/29/24/19/1183292419.db2.gz NREADIZXUAOWLT-UHFFFAOYSA-N 0 0 308.349 3.255 20 10 DGCDRN CC[C@@H](NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C)[C@H](C)O ZINC001467991490 1183301763 /nfs/dbraw/zinc/30/17/63/1183301763.db2.gz LTHSTNJXBQGWAX-MAUKXSAKSA-N 0 0 314.429 3.292 20 10 DGCDRN O=C(NCc1c(O)cccc1F)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC001468787084 1183358776 /nfs/dbraw/zinc/35/87/76/1183358776.db2.gz OEYMOCJYFGYXRF-YNEHKIRRSA-N 0 0 306.381 3.299 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H]2c3ccccc3CC[C@H]2C)c(O)c1O ZINC001546172272 1183383668 /nfs/dbraw/zinc/38/36/68/1183383668.db2.gz RSZCGXLCHDDPAM-BZNIZROVSA-N 0 0 311.381 3.460 20 10 DGCDRN COc1cccc(C[NH2+]C2(CCC(=O)[O-])CCCCC2)c1O ZINC001607322936 1193224113 /nfs/dbraw/zinc/22/41/13/1193224113.db2.gz QSEYNOMXUUGURJ-UHFFFAOYSA-N 0 0 307.390 3.058 20 10 DGCDRN O=C(Nc1cccc(F)c1O)c1cc2cc(O)c(O)cc2s1 ZINC001471170101 1183543097 /nfs/dbraw/zinc/54/30/97/1183543097.db2.gz ZJFOFKVCEBOILD-UHFFFAOYSA-N 0 0 319.313 3.410 20 10 DGCDRN C[C@@H](CSC(F)(F)F)C(=O)N[C@@H](C)c1ccccc1O ZINC001471195495 1183545296 /nfs/dbraw/zinc/54/52/96/1183545296.db2.gz YMQYZCARUMJFON-IUCAKERBSA-N 0 0 307.337 3.459 20 10 DGCDRN O=C(/C=C/c1ccnc2ccccc12)N1Cc2cccc(O)c2C1 ZINC001471355159 1183558227 /nfs/dbraw/zinc/55/82/27/1183558227.db2.gz CXCOBFPMYCXHDX-CMDGGOBGSA-N 0 0 316.360 3.496 20 10 DGCDRN Cc1ccc(C(=O)NCc2cc(O)ccc2O)c(F)c1Cl ZINC001471661937 1183580022 /nfs/dbraw/zinc/58/00/22/1183580022.db2.gz HTNUGFDDRMMZFC-UHFFFAOYSA-N 0 0 309.724 3.129 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)c(C)n1-c1ccccn1 ZINC001471934580 1183601223 /nfs/dbraw/zinc/60/12/23/1183601223.db2.gz JCQUMRUMNQILKA-QQDQCYIDSA-N 0 0 309.413 3.263 20 10 DGCDRN Cc1ccc(F)c(OCC(=O)NCc2cccc(Cl)c2O)c1 ZINC001472317144 1183634574 /nfs/dbraw/zinc/63/45/74/1183634574.db2.gz XEYAJHAHJWFSHT-UHFFFAOYSA-N 0 0 323.751 3.188 20 10 DGCDRN Cc1cc(CC(=O)Nc2ccc(=O)[nH]c2)c(C)n1-c1ccccc1 ZINC001472558257 1183652420 /nfs/dbraw/zinc/65/24/20/1183652420.db2.gz OREWJIDZKSGKCS-UHFFFAOYSA-N 0 0 321.380 3.376 20 10 DGCDRN COC(=O)/C(C)=C\CN1C[C@H](C(C)C)Cc2cc(OC)ccc21 ZINC001473570263 1183774536 /nfs/dbraw/zinc/77/45/36/1183774536.db2.gz ZXNZEQQAMPNMOS-WPMUKRGUSA-N 0 0 317.429 3.449 20 10 DGCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2CCc1ccnn1C ZINC001473570290 1183774697 /nfs/dbraw/zinc/77/46/97/1183774697.db2.gz QVFLLZDMZOTJCH-INIZCTEOSA-N 0 0 313.445 3.306 20 10 DGCDRN C[C@H](NCc1nnc(-c2cccc(F)c2)o1)c1ccccc1O ZINC001473722312 1183793454 /nfs/dbraw/zinc/79/34/54/1183793454.db2.gz HMWJJWMUNRPNKA-NSHDSACASA-N 0 0 313.332 3.432 20 10 DGCDRN Cc1cc(Cl)cc(C[NH2+][C@@]2(C)CCCC[C@@H]2C(=O)[O-])c1O ZINC001607656256 1193245978 /nfs/dbraw/zinc/24/59/78/1193245978.db2.gz VENDQLOVKYZSHF-CJNGLKHVSA-N 0 0 311.809 3.477 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[N@@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC001607667405 1193246779 /nfs/dbraw/zinc/24/67/79/1193246779.db2.gz GRTUOPUYDBKWSS-UHFFFAOYSA-N 0 0 324.424 3.318 20 10 DGCDRN CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cc(F)c(F)cc1[O-] ZINC001474342504 1183907455 /nfs/dbraw/zinc/90/74/55/1183907455.db2.gz AJTDWDVKIRCQPS-OAHLLOKOSA-N 0 0 321.367 3.444 20 10 DGCDRN CC(C)c1ccc(O)c(CN(CCCO)CC(F)(F)F)c1 ZINC001474371454 1183912531 /nfs/dbraw/zinc/91/25/31/1183912531.db2.gz HDWHESOXUISRKD-UHFFFAOYSA-N 0 0 305.340 3.262 20 10 DGCDRN CCCN(CC(=O)OC(C)(C)C)Cc1cc(F)c(F)cc1O ZINC001474425660 1183919856 /nfs/dbraw/zinc/91/98/56/1183919856.db2.gz KMZWPMYMKUJTBW-UHFFFAOYSA-N 0 0 315.360 3.224 20 10 DGCDRN CCc1[nH]c(CN(C)c2ccc(OC)cc2)cc1C(=O)OC ZINC001474613878 1183949353 /nfs/dbraw/zinc/94/93/53/1183949353.db2.gz PCRMWKGTDIZGOT-UHFFFAOYSA-N 0 0 302.374 3.009 20 10 DGCDRN C[C@@H](NC(=O)Nc1cccc2nccnc21)c1ccccc1O ZINC001477000549 1184062418 /nfs/dbraw/zinc/06/24/18/1184062418.db2.gz VRBKRZMINAPGFM-LLVKDONJSA-N 0 0 308.341 3.218 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2cccc3nccnc32)cc1 ZINC001476999215 1184062449 /nfs/dbraw/zinc/06/24/49/1184062449.db2.gz XXALPHZWBWMBEQ-UHFFFAOYSA-N 0 0 321.384 3.018 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H](C)c2ccc(F)cc2)c1 ZINC001477696458 1184107033 /nfs/dbraw/zinc/10/70/33/1184107033.db2.gz OMIDSOJSTFOPEP-CYBMUJFWSA-N 0 0 316.376 3.443 20 10 DGCDRN Cc1cccc2c1CC[C@@H]2NC(=O)NCc1c(O)cccc1F ZINC001477830722 1184113473 /nfs/dbraw/zinc/11/34/73/1184113473.db2.gz QYUJNINFVSOEPN-INIZCTEOSA-N 0 0 314.360 3.326 20 10 DGCDRN C[C@H](NC(=O)NCc1c(O)cccc1F)c1cccc(F)c1F ZINC001478254590 1184137534 /nfs/dbraw/zinc/13/75/34/1184137534.db2.gz OIVYUBNGJKJPMR-VIFPVBQESA-N 0 0 324.302 3.370 20 10 DGCDRN C[C@@H]1CC[C@@H]1NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001478604493 1184163747 /nfs/dbraw/zinc/16/37/47/1184163747.db2.gz FBUBIESWYXDCCT-PBHICJAKSA-N 0 0 301.434 3.227 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NC[C@@]2(C)CC2(C)C)cc1 ZINC001479197500 1184208529 /nfs/dbraw/zinc/20/85/29/1184208529.db2.gz FJDWMUKHQPOFLC-GOSISDBHSA-N 0 0 303.450 3.330 20 10 DGCDRN Cc1sc([C@H]2CCC[N@@H+]2Cc2ccc(N)cc2)nc1C(=O)[O-] ZINC001608067224 1193276912 /nfs/dbraw/zinc/27/69/12/1193276912.db2.gz GKNKSIQEXFOVJM-CYBMUJFWSA-N 0 0 317.414 3.069 20 10 DGCDRN O=C([O-])[C@@H]1CCCCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001608628740 1193296723 /nfs/dbraw/zinc/29/67/23/1193296723.db2.gz DYEYZAWZAMEVNF-KRWDZBQOSA-N 0 0 302.418 3.116 20 10 DGCDRN C[C@H]([NH2+][C@@H](CO)CC1CCCCC1)c1cc(C(=O)[O-])ccc1O ZINC001609778744 1193355817 /nfs/dbraw/zinc/35/58/17/1193355817.db2.gz XOVKTELEQVZKEF-SWLSCSKDSA-N 0 0 321.417 3.072 20 10 DGCDRN C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC001609840456 1193359750 /nfs/dbraw/zinc/35/97/50/1193359750.db2.gz KNIBMKVNZBNJMW-KMFMINBZSA-N 0 0 316.445 3.048 20 10 DGCDRN CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)C12CCC2 ZINC001610034665 1193373149 /nfs/dbraw/zinc/37/31/49/1193373149.db2.gz UBSMXLTVBNFHKB-IUIKQTSFSA-N 0 0 319.401 3.089 20 10 DGCDRN CCOc1cccc(C[N@H+](CC2CC2)[C@](C)(CC)C(=O)[O-])c1O ZINC001610045494 1193373371 /nfs/dbraw/zinc/37/33/71/1193373371.db2.gz SEBKSWZVRWRUEG-GOSISDBHSA-N 0 0 321.417 3.256 20 10 DGCDRN CN(Cc1ccccc1O)c1nnc(-c2cccnc2)n1C1CC1 ZINC001503488837 1186046059 /nfs/dbraw/zinc/04/60/59/1186046059.db2.gz XJVDPMWYGMSSGQ-UHFFFAOYSA-N 0 0 321.384 3.017 20 10 DGCDRN CCNc1cc(C)ccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001611568460 1193437798 /nfs/dbraw/zinc/43/77/98/1193437798.db2.gz DUHSINNAZIFEPI-UHFFFAOYSA-N 0 0 300.358 3.019 20 10 DGCDRN COc1cccc2c1CCC[C@H](NC(=O)C1=CC(=O)CS1)C2 ZINC001514905301 1186736148 /nfs/dbraw/zinc/73/61/48/1186736148.db2.gz GMVKDARKIMDFPE-LBPRGKRZSA-N 0 0 317.410 3.140 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc3cccnc3c2)cc1F ZINC001519266594 1186871121 /nfs/dbraw/zinc/87/11/21/1186871121.db2.gz XJJMLDGCRQPNMA-UHFFFAOYSA-N 0 0 323.371 3.370 20 10 DGCDRN Oc1c(CNc2nccc(C(F)(F)F)n2)ccc2cccnc21 ZINC001612507806 1193453574 /nfs/dbraw/zinc/45/35/74/1193453574.db2.gz XXBACRFSZAWUPX-UHFFFAOYSA-N 0 0 320.274 3.361 20 10 DGCDRN CN(Cc1ccccc1O)c1nnc(-c2ccco2)n1CC1CC1 ZINC001520474093 1186947868 /nfs/dbraw/zinc/94/78/68/1186947868.db2.gz ARBZDWHJNAHJMP-UHFFFAOYSA-N 0 0 324.384 3.290 20 10 DGCDRN C[C@H]1C[C@H](C)N(c2nnc(C3SC=CC3=O)n2CC2CC2)C1 ZINC001520582136 1186954740 /nfs/dbraw/zinc/95/47/40/1186954740.db2.gz ZXRIJUFAAKXKTH-QWRGUYRKSA-N 0 0 318.446 3.357 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NC[C@H]1C[C@H]1C1CCCC1 ZINC001521349524 1187017231 /nfs/dbraw/zinc/01/72/31/1187017231.db2.gz KBLNQECYJUPOMQ-CVEARBPZSA-N 0 0 302.418 3.360 20 10 DGCDRN Cc1ncccc1/C=C\C(=O)N1C[C@H](C)Oc2cc(F)ccc21 ZINC001523588045 1187174266 /nfs/dbraw/zinc/17/42/66/1187174266.db2.gz VGMREMYJIHRYBB-JECSTDCCSA-N 0 0 312.344 3.356 20 10 DGCDRN CN(C(=O)/C=C/c1ccc(Cl)nc1)c1cccc(Cl)n1 ZINC001524841720 1187274404 /nfs/dbraw/zinc/27/44/04/1187274404.db2.gz QLBXALMBKJMQDF-SOFGYWHQSA-N 0 0 308.168 3.460 20 10 DGCDRN Cn1cc(/C=C/C(=O)N2CCc3cccc(C(F)(F)F)c32)cn1 ZINC001525696957 1187327162 /nfs/dbraw/zinc/32/71/62/1187327162.db2.gz JCLVKERVYLRKGX-AATRIKPKSA-N 0 0 321.302 3.041 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)cc1F ZINC001528618995 1187502241 /nfs/dbraw/zinc/50/22/41/1187502241.db2.gz GZLDZWCSOGIKEE-QDMKHBRRSA-N 0 0 304.409 3.334 20 10 DGCDRN Cc1cc(C(=O)NCCc2cc[nH]n2)c(C)n1-c1ccccc1C ZINC001528771641 1187511151 /nfs/dbraw/zinc/51/11/51/1187511151.db2.gz SCGLTEFTMRRQHA-UHFFFAOYSA-N 0 0 322.412 3.098 20 10 DGCDRN Cc1ccncc1/C=C\C(=O)N1CCOc2c(F)c(F)ccc21 ZINC001528833833 1187515857 /nfs/dbraw/zinc/51/58/57/1187515857.db2.gz YOIXMAGCBWQUSW-DJWKRKHSSA-N 0 0 316.307 3.107 20 10 DGCDRN COc1ccc(Cl)cc1N(C)C(=O)/C=C(/C)c1cnccn1 ZINC001530894644 1187652054 /nfs/dbraw/zinc/65/20/54/1187652054.db2.gz ZULNZGMAHWPIIV-FLIBITNWSA-N 0 0 317.776 3.205 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)CSC(C)(C)C)cc1 ZINC001531375352 1187682817 /nfs/dbraw/zinc/68/28/17/1187682817.db2.gz UOUAMKUHDBPVHY-UHFFFAOYSA-N 0 0 324.490 3.122 20 10 DGCDRN CCOC(C)(C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001531706350 1187706336 /nfs/dbraw/zinc/70/63/36/1187706336.db2.gz REAOHZBBMSCSBP-UHFFFAOYSA-N 0 0 304.434 3.060 20 10 DGCDRN CCc1nocc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001531706983 1187706467 /nfs/dbraw/zinc/70/64/67/1187706467.db2.gz YSRJYTUPSIRFQH-UHFFFAOYSA-N 0 0 313.401 3.109 20 10 DGCDRN COC(=O)c1cnc(SCc2cc(C=O)ccc2OC)s1 ZINC001656581200 1196052345 /nfs/dbraw/zinc/05/23/45/1196052345.db2.gz UNVLBJFSVYILNI-UHFFFAOYSA-N 0 0 323.395 3.043 20 10 DGCDRN C/C(=C\C(=O)N1CCCc2c(F)ccc(F)c21)c1cnccn1 ZINC001535135434 1187941247 /nfs/dbraw/zinc/94/12/47/1187941247.db2.gz QITPMIYBBYQDAQ-PKNBQFBNSA-N 0 0 315.323 3.138 20 10 DGCDRN Cc1cc(CNC(=O)c2nccc(C)n2)c(C)n1-c1ccccc1 ZINC001535144364 1187941292 /nfs/dbraw/zinc/94/12/92/1187941292.db2.gz YLDDHJCNHFXLRT-UHFFFAOYSA-N 0 0 320.396 3.123 20 10 DGCDRN Cc1coc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC001536549163 1188017121 /nfs/dbraw/zinc/01/71/21/1188017121.db2.gz BSTXANFPRJOHEE-CQSZACIVSA-N 0 0 300.402 3.323 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)C=C2CCCCC2)cc1 ZINC001538161358 1188122219 /nfs/dbraw/zinc/12/22/19/1188122219.db2.gz WDOQSDWGLOVUDF-UHFFFAOYSA-N 0 0 316.445 3.480 20 10 DGCDRN CCCC[C@H](O)CCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001539188474 1188181080 /nfs/dbraw/zinc/18/10/80/1188181080.db2.gz QWPNXCBUYUMZIX-KRWDZBQOSA-N 0 0 306.450 3.042 20 10 DGCDRN C[C@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)c1ccncc1 ZINC001540488078 1188242055 /nfs/dbraw/zinc/24/20/55/1188242055.db2.gz COQZNYIWMKWEEQ-INIZCTEOSA-N 0 0 323.440 3.444 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc(-c3c[nH]cn3)cc2)cc1 ZINC001540494206 1188242517 /nfs/dbraw/zinc/24/25/17/1188242517.db2.gz GTWZJOWWPKGKFW-UHFFFAOYSA-N 0 0 320.396 3.073 20 10 DGCDRN Cc1cnccc1CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001540567237 1188245937 /nfs/dbraw/zinc/24/59/37/1188245937.db2.gz FFSMHADUGTTXNL-UHFFFAOYSA-N 0 0 323.440 3.191 20 10 DGCDRN C[C@H](Cc1ccco1)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001540739596 1188258860 /nfs/dbraw/zinc/25/88/60/1188258860.db2.gz KZTYBNGUDCYUIN-SECBINFHSA-N 0 0 317.366 3.267 20 10 DGCDRN CC(C)(C)c1ccc(CCNC(=O)c2cccc(O)c2O)cc1 ZINC001540780860 1188260114 /nfs/dbraw/zinc/26/01/14/1188260114.db2.gz VNAPVKCXDHKUGV-UHFFFAOYSA-N 0 0 313.397 3.368 20 10 DGCDRN CCOCCNC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC001543050364 1188312561 /nfs/dbraw/zinc/31/25/61/1188312561.db2.gz ZPFQCCDSOJYGRY-UHFFFAOYSA-N 0 0 314.429 3.477 20 10 DGCDRN CCc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)c(O)c1 ZINC001617047744 1193555824 /nfs/dbraw/zinc/55/58/24/1193555824.db2.gz RHTODLOJSVDLHN-UHFFFAOYSA-N 0 0 312.413 3.259 20 10 DGCDRN O=C([C@@H]1CCC=CO1)N(Cc1ccco1)Cc1ccccc1O ZINC001545496439 1188431745 /nfs/dbraw/zinc/43/17/45/1188431745.db2.gz LTTCPJMYSVIPAK-KRWDZBQOSA-N 0 0 313.353 3.207 20 10 DGCDRN CC(C)[C@H](C(=O)NCc1cccc(O)c1O)c1ccc(F)cc1 ZINC001548791609 1188463208 /nfs/dbraw/zinc/46/32/08/1188463208.db2.gz GWVLMBFZNMCHCQ-INIZCTEOSA-N 0 0 317.360 3.293 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)C3C(C)(C)C3(C)C)C2)cc1 ZINC001617262459 1193563726 /nfs/dbraw/zinc/56/37/26/1193563726.db2.gz HWFDWAZJPOTKEH-CYBMUJFWSA-N 0 0 316.445 3.072 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2cnccc2c1 ZINC001556157736 1188987633 /nfs/dbraw/zinc/98/76/33/1188987633.db2.gz IWIMRRFZLKMRSC-GFCCVEGCSA-N 0 0 322.364 3.007 20 10 DGCDRN C[C@H](NC(=O)c1cc(Cl)ccc1N)c1ccc(N(C)C)cc1 ZINC001556260948 1188992424 /nfs/dbraw/zinc/99/24/24/1188992424.db2.gz WESXAYVNHGLKDB-NSHDSACASA-N 0 0 317.820 3.479 20 10 DGCDRN O=C(CCc1ccc(F)cc1)NCc1cc(Cl)ccc1O ZINC001557385226 1189060946 /nfs/dbraw/zinc/06/09/46/1189060946.db2.gz ACDONXUSHXXABI-UHFFFAOYSA-N 0 0 307.752 3.434 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CCc2cncc3ccccc32)c1 ZINC001557553292 1189071727 /nfs/dbraw/zinc/07/17/27/1189071727.db2.gz UGNYSWVTNAPTSA-UHFFFAOYSA-N 0 0 320.392 3.498 20 10 DGCDRN CC[C@@](C)(NC(=O)Cc1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC001557887562 1189091355 /nfs/dbraw/zinc/09/13/55/1189091355.db2.gz LUCQFNLTOZDAMG-GOSISDBHSA-N 0 0 317.360 3.221 20 10 DGCDRN COc1ccc(SCC(=O)N[C@H](C)c2ccccc2O)cc1 ZINC001557966821 1189095100 /nfs/dbraw/zinc/09/51/00/1189095100.db2.gz QOXCZWOTOVBHJT-GFCCVEGCSA-N 0 0 317.410 3.370 20 10 DGCDRN O=C(c1cccc2cccc(O)c21)N1Cc2cccc(O)c2C1 ZINC001558035739 1189100739 /nfs/dbraw/zinc/10/07/39/1189100739.db2.gz OAKYYGYGOVLKDO-UHFFFAOYSA-N 0 0 305.333 3.407 20 10 DGCDRN O=C(c1ccc(OC(F)F)c(F)c1)N1Cc2cccc(O)c2C1 ZINC001558036076 1189100852 /nfs/dbraw/zinc/10/08/52/1189100852.db2.gz SRCGUPNYASWWFC-UHFFFAOYSA-N 0 0 323.270 3.289 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1ccc(C(F)(F)F)cc1 ZINC001558159967 1189108031 /nfs/dbraw/zinc/10/80/31/1189108031.db2.gz PPAQTZAVCCBPCP-UHFFFAOYSA-N 0 0 311.259 3.047 20 10 DGCDRN O=C(CCc1cc(F)ccc1F)NCc1c(O)cccc1F ZINC001558455409 1189126449 /nfs/dbraw/zinc/12/64/49/1189126449.db2.gz SKSQVNDFJBXQFY-UHFFFAOYSA-N 0 0 309.287 3.059 20 10 DGCDRN CCc1ccc2occ(C(=O)NCc3c(O)cccc3O)c2c1 ZINC001558536156 1189132285 /nfs/dbraw/zinc/13/22/85/1189132285.db2.gz VBJKBXUSJIWKSM-UHFFFAOYSA-N 0 0 311.337 3.336 20 10 DGCDRN CC[C@@H]1C[C@@H](C(=O)NCc2c(O)ccc3ccccc32)CCO1 ZINC001558554031 1189132625 /nfs/dbraw/zinc/13/26/25/1189132625.db2.gz HRPWRRFTMPKUMQ-LSDHHAIUSA-N 0 0 313.397 3.367 20 10 DGCDRN Cc1n[nH]c(C)c1[C@H](C)C(=O)NCc1c(O)ccc2ccccc21 ZINC001558554521 1189133051 /nfs/dbraw/zinc/13/30/51/1189133051.db2.gz RUYCBPQWXSPNFR-NSHDSACASA-N 0 0 323.396 3.305 20 10 DGCDRN CC[C@H]1C[C@@H](C(=O)NCc2c(O)ccc3ccccc32)CCO1 ZINC001558554027 1189133212 /nfs/dbraw/zinc/13/32/12/1189133212.db2.gz HRPWRRFTMPKUMQ-GJZGRUSLSA-N 0 0 313.397 3.367 20 10 DGCDRN COc1ccc(CCC(=O)NCc2cccc(Cl)c2O)cc1 ZINC001558757062 1189146498 /nfs/dbraw/zinc/14/64/98/1189146498.db2.gz NIXQRVHUYJJLNN-UHFFFAOYSA-N 0 0 319.788 3.303 20 10 DGCDRN O=C(CCc1ccc(F)cc1)NCc1cccc(Cl)c1O ZINC001558757110 1189146560 /nfs/dbraw/zinc/14/65/60/1189146560.db2.gz PNQVHGIHPPMSAD-UHFFFAOYSA-N 0 0 307.752 3.434 20 10 DGCDRN Cc1cc(NCc2c(O)cccc2F)nc(-c2cccnc2)n1 ZINC001559284641 1189192016 /nfs/dbraw/zinc/19/20/16/1189192016.db2.gz LGUCGTAEFYNTPX-UHFFFAOYSA-N 0 0 310.332 3.304 20 10 DGCDRN FC(F)Oc1ccc2c(c1)CCCN2C[C@@H]1C[C@]12CCOC2 ZINC001559605501 1189223113 /nfs/dbraw/zinc/22/31/13/1189223113.db2.gz UJKBZWHBUXVBNO-GUYCJALGSA-N 0 0 309.356 3.467 20 10 DGCDRN COc1ccc(N(CC(=O)NCCC(C)(C)C)CC2CC2)cc1 ZINC001559848432 1189249653 /nfs/dbraw/zinc/24/96/53/1189249653.db2.gz RDARBLAIDPYVEI-UHFFFAOYSA-N 0 0 318.461 3.464 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+]CCc2ccccn2)c1 ZINC001560249448 1189298957 /nfs/dbraw/zinc/29/89/57/1189298957.db2.gz IRNVNTOPAYLJNH-UHFFFAOYSA-N 0 0 321.218 3.190 20 10 DGCDRN CCCCC[N@H+](CCO)Cc1c(O)cccc1Br ZINC001560728893 1189369582 /nfs/dbraw/zinc/36/95/82/1189369582.db2.gz MXXPMPOXJPXTJV-UHFFFAOYSA-N 0 0 316.239 3.139 20 10 DGCDRN CN(C)c1ccc(/C=C\CN2C[C@@H](O)Cc3ccccc32)cc1 ZINC001560795784 1189383013 /nfs/dbraw/zinc/38/30/13/1189383013.db2.gz FBRACAFOQRPFBN-VOFKWLDRSA-N 0 0 308.425 3.189 20 10 DGCDRN COc1cc(Cl)cc(CNCc2nc3ccccc3o2)c1O ZINC001561015403 1189420273 /nfs/dbraw/zinc/42/02/73/1189420273.db2.gz UZWYFCDQXZVVAD-UHFFFAOYSA-N 0 0 318.760 3.485 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)cc1 ZINC001563609545 1189522875 /nfs/dbraw/zinc/52/28/75/1189522875.db2.gz DOWSKBRCUDRGPU-BHYGNILZSA-N 0 0 301.434 3.131 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H](C)C(C)(C)OC)cc1 ZINC001563693165 1189527687 /nfs/dbraw/zinc/52/76/87/1189527687.db2.gz HDNPBBZGBBUPRJ-CQSZACIVSA-N 0 0 321.465 3.146 20 10 DGCDRN CC[C@H]1CCC[C@@H]1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC001563792623 1189534633 /nfs/dbraw/zinc/53/46/33/1189534633.db2.gz SXUYHEZEUQNVNA-RDJZCZTQSA-N 0 0 315.461 3.447 20 10 DGCDRN CCC1(CC)[C@H](NC(=O)N[C@H](C)c2ccccc2O)C[C@@H]1OC ZINC001564411065 1189573346 /nfs/dbraw/zinc/57/33/46/1189573346.db2.gz CFTHRYDYTIROAV-WQVCFCJDSA-N 0 0 320.433 3.346 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC001565461028 1189647242 /nfs/dbraw/zinc/64/72/42/1189647242.db2.gz XSNINCFUWXJTHE-CGTJXYLNSA-N 0 0 315.461 3.473 20 10 DGCDRN O=C(NCc1c(O)cccc1F)NC[C@@H]1C[C@H]1C1CCCC1 ZINC001565481156 1189649459 /nfs/dbraw/zinc/64/94/59/1189649459.db2.gz HWFWONKZMARMBR-STQMWFEESA-N 0 0 306.381 3.157 20 10 DGCDRN CC(C)C1CCC(CNC(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001566321448 1189761732 /nfs/dbraw/zinc/76/17/32/1189761732.db2.gz WZTANFIWQCBOPC-UHFFFAOYSA-N 0 0 305.418 3.219 20 10 DGCDRN COc1cccc(CNC(=O)c2ccccc2-n2cccc2)c1O ZINC001566374340 1189765968 /nfs/dbraw/zinc/76/59/68/1189765968.db2.gz DUMSBJDQNDDRIB-UHFFFAOYSA-N 0 0 322.364 3.122 20 10 DGCDRN COC1(C)CN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C1 ZINC001567180654 1190053955 /nfs/dbraw/zinc/05/39/55/1190053955.db2.gz UNGSDEWMAXHMBU-UHFFFAOYSA-N 0 0 312.413 3.263 20 10 DGCDRN CCCCC[C@@H](O)C(=O)N(CCCC)Cc1ccccc1O ZINC001568137177 1190433122 /nfs/dbraw/zinc/43/31/22/1190433122.db2.gz HMSGWSOIOJQVGY-QGZVFWFLSA-N 0 0 307.434 3.462 20 10 DGCDRN CCOc1ccc(NC(=O)c2ccc(C)c(O)c2O)c(F)c1 ZINC001570446888 1190860625 /nfs/dbraw/zinc/86/06/25/1190860625.db2.gz RDUCMRMUHIMGCM-UHFFFAOYSA-N 0 0 305.305 3.196 20 10 DGCDRN Cc1cc(F)ccc1C(=O)NCc1ccc2cccnc2c1O ZINC001570533978 1190878566 /nfs/dbraw/zinc/87/85/66/1190878566.db2.gz ZEPPGABXDZGMOA-UHFFFAOYSA-N 0 0 310.328 3.318 20 10 DGCDRN CC1(C)C[C@@H](C(=O)NCc2ccc(N)cc2)c2ccccc2O1 ZINC001576391200 1191581093 /nfs/dbraw/zinc/58/10/93/1191581093.db2.gz SOQFRLRPBYCTKY-MRXNPFEDSA-N 0 0 310.397 3.230 20 10 DGCDRN Cc1ccc(C[C@H](C)N(C)C(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001618023276 1193721647 /nfs/dbraw/zinc/72/16/47/1193721647.db2.gz BKYWCYMIXKJUAL-AWEZNQCLSA-N 0 0 313.397 3.038 20 10 DGCDRN COC(=O)[C@H](N[C@@H](C)c1ccccc1O)c1ccccc1F ZINC001620505319 1193773729 /nfs/dbraw/zinc/77/37/29/1193773729.db2.gz WQAXMUXXTQLPSP-MEDUHNTESA-N 0 0 303.333 3.096 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCc1cn2ccccc2n1 ZINC001620711767 1193793831 /nfs/dbraw/zinc/79/38/31/1193793831.db2.gz LIBQSTYZMKFDOP-UHFFFAOYSA-N 0 0 319.767 3.165 20 10 DGCDRN C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cccc(O)c1O ZINC001621177342 1193813384 /nfs/dbraw/zinc/81/33/84/1193813384.db2.gz YFPBDGRJTPQCMU-MGPLVRAMSA-N 0 0 315.344 3.290 20 10 DGCDRN COc1ccc(N2CCN(C(=O)OCCC(C)C)CC2)cc1F ZINC001621911474 1193875803 /nfs/dbraw/zinc/87/58/03/1193875803.db2.gz RUGPOYCPCLARRZ-UHFFFAOYSA-N 0 0 324.396 3.139 20 10 DGCDRN COc1cccc(CNC(=O)/C=C(/C)c2cccs2)c1O ZINC001622779516 1193911821 /nfs/dbraw/zinc/91/18/21/1193911821.db2.gz QJYIVGIFDKLTGP-LUAWRHEFSA-N 0 0 303.383 3.182 20 10 DGCDRN CCOc1ncccc1NC(=O)NCc1cc(Cl)ccc1O ZINC001622862835 1193914134 /nfs/dbraw/zinc/91/41/34/1193914134.db2.gz AGXAJOAUZRTSBO-UHFFFAOYSA-N 0 0 321.764 3.161 20 10 DGCDRN CSc1ccc(O)c(C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC001623316352 1193927355 /nfs/dbraw/zinc/92/73/55/1193927355.db2.gz SHCUAPNZZIESMR-UHFFFAOYSA-N 0 0 316.426 3.110 20 10 DGCDRN Cc1conc1C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC001623739405 1193949915 /nfs/dbraw/zinc/94/99/15/1193949915.db2.gz PJOIHSLJARKJFO-UHFFFAOYSA-N 0 0 323.396 3.363 20 10 DGCDRN CCO[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCCC1 ZINC001624480247 1193999074 /nfs/dbraw/zinc/99/90/74/1193999074.db2.gz TXZNPGAXHJNTQS-GOSISDBHSA-N 0 0 318.461 3.306 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@@H](c1ccccc1)C(F)F ZINC001624995220 1194026060 /nfs/dbraw/zinc/02/60/60/1194026060.db2.gz ZHVVTZHCADZBOF-AWEZNQCLSA-N 0 0 306.312 3.198 20 10 DGCDRN C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1cccs1 ZINC001625294615 1194042751 /nfs/dbraw/zinc/04/27/51/1194042751.db2.gz WYRFYEATCPUEEB-VIFPVBQESA-N 0 0 302.359 3.402 20 10 DGCDRN O=C(Nc1ccnnc1)N(Cc1ccco1)Cc1ccccc1O ZINC001625452528 1194052134 /nfs/dbraw/zinc/05/21/34/1194052134.db2.gz WGOGZBJBUBIGCR-UHFFFAOYSA-N 0 0 324.340 3.010 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1cccs1 ZINC001625462166 1194053188 /nfs/dbraw/zinc/05/31/88/1194053188.db2.gz WYRFYEATCPUEEB-SECBINFHSA-N 0 0 302.359 3.402 20 10 DGCDRN Cc1cc(=O)oc2cc(N(C)C(=O)C3=CC(=O)CS3)ccc12 ZINC001627028186 1194107874 /nfs/dbraw/zinc/10/78/74/1194107874.db2.gz DZESCWIICMCYPC-UHFFFAOYSA-N 0 0 315.350 3.145 20 10 DGCDRN O=C(NCc1ccc(Cl)s1)N1Cc2cccc(O)c2C1 ZINC001629475523 1194236412 /nfs/dbraw/zinc/23/64/12/1194236412.db2.gz KIDGEBCYMWDFBF-UHFFFAOYSA-N 0 0 308.790 3.333 20 10 DGCDRN Cc1ccc(C(=O)N2Cc3ccc(Cl)cc3C2)c(O)c1O ZINC001629605512 1194242639 /nfs/dbraw/zinc/24/26/39/1194242639.db2.gz REBGYBYAJYBOIG-UHFFFAOYSA-N 0 0 303.745 3.216 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccccc2-n2cccc2)c1 ZINC001629740902 1194250393 /nfs/dbraw/zinc/25/03/93/1194250393.db2.gz RXDOWEOZPWJFJF-UHFFFAOYSA-N 0 0 306.365 3.421 20 10 DGCDRN CC1(C)CCC[C@@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC001630021398 1194265266 /nfs/dbraw/zinc/26/52/66/1194265266.db2.gz DFTLZOXJMIQQSA-IQCBXXCUSA-N 0 0 303.402 3.444 20 10 DGCDRN Cc1ncccc1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001630049758 1194267051 /nfs/dbraw/zinc/26/70/51/1194267051.db2.gz XXCJKJILAMWPNU-UHFFFAOYSA-N 0 0 300.339 3.268 20 10 DGCDRN O=C(CCNc1ccccc1)NCc1ccc2cccnc2c1O ZINC001630528773 1194290006 /nfs/dbraw/zinc/29/00/06/1194290006.db2.gz WCXJVPCAASQXLB-UHFFFAOYSA-N 0 0 321.380 3.059 20 10 DGCDRN Cc1ncc(NC(=O)c2cc3cc(O)c(O)cc3s2)s1 ZINC001631178215 1194323627 /nfs/dbraw/zinc/32/36/27/1194323627.db2.gz CJTXOWJJBSDLGA-UHFFFAOYSA-N 0 0 306.368 3.330 20 10 DGCDRN C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1ccns1 ZINC001631431384 1194334927 /nfs/dbraw/zinc/33/49/27/1194334927.db2.gz ZLHYVARADQYALY-ZETCQYMHSA-N 0 0 320.395 3.260 20 10 DGCDRN Cc1cc(CNC(=O)C2CSC2)c(C)n1-c1cccc(C)c1 ZINC001631793691 1194355715 /nfs/dbraw/zinc/35/57/15/1194355715.db2.gz CCHAFVLTAYELFA-UHFFFAOYSA-N 0 0 314.454 3.382 20 10 DGCDRN O=C(Nc1ccc([C@H](O)C(F)(F)F)cc1)C1=CC(=O)CS1 ZINC001632193790 1194376049 /nfs/dbraw/zinc/37/60/49/1194376049.db2.gz BRFHBPGGUKZWSO-NSHDSACASA-N 0 0 317.288 3.302 20 10 DGCDRN C[C@H](NC(=O)Cc1cc2ccccc2[nH]c1=O)c1ccccc1O ZINC001632250491 1194379421 /nfs/dbraw/zinc/37/94/21/1194379421.db2.gz VEXWJMORACAAGJ-LBPRGKRZSA-N 0 0 322.364 3.066 20 10 DGCDRN Cc1c(C(=O)N[C@@H](C)c2ccccc2O)cnn1-c1ccccc1 ZINC001632250537 1194379428 /nfs/dbraw/zinc/37/94/28/1194379428.db2.gz WCFOQADZPMDCPA-ZDUSSCGKSA-N 0 0 321.380 3.377 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H](c2cccnc2)C2CC2)cc1 ZINC001633054511 1194419499 /nfs/dbraw/zinc/41/94/99/1194419499.db2.gz ZXNGMHRYBLNGFT-OAHLLOKOSA-N 0 0 323.356 3.125 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC001633282141 1194429956 /nfs/dbraw/zinc/42/99/56/1194429956.db2.gz FJSVCHQJEFZVBM-UHFFFAOYSA-N 0 0 320.732 3.192 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)COCc2cccc(Cl)c2)c1 ZINC001633282307 1194429969 /nfs/dbraw/zinc/42/99/69/1194429969.db2.gz HGQWQJIULRKZMA-UHFFFAOYSA-N 0 0 319.788 3.187 20 10 DGCDRN CS[C@@H](C)CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001633499720 1194439628 /nfs/dbraw/zinc/43/96/28/1194439628.db2.gz OMGKQTWGAZIMAP-AWEZNQCLSA-N 0 0 321.490 3.180 20 10 DGCDRN C[C@H]1C[C@H]1c1ccc(CCC(=O)NCc2cc(O)ccc2O)o1 ZINC001633595295 1194445088 /nfs/dbraw/zinc/44/50/88/1194445088.db2.gz QLGUVAINTJEGEH-XHDPSFHLSA-N 0 0 315.369 3.063 20 10 DGCDRN O=C(NCCCc1ccco1)c1cc2cc(O)c(O)cc2s1 ZINC001633915942 1194463397 /nfs/dbraw/zinc/46/33/97/1194463397.db2.gz LDQCEABGKGJTKE-UHFFFAOYSA-N 0 0 317.366 3.268 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1csc2c1CCCC2 ZINC001635360831 1194546572 /nfs/dbraw/zinc/54/65/72/1194546572.db2.gz SFNWNJLXMSDXAK-UHFFFAOYSA-N 0 0 305.374 3.402 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Cc1ccc2cnccc2c1 ZINC001635658062 1194565179 /nfs/dbraw/zinc/56/51/79/1194565179.db2.gz GOZJWCVOMKQWAJ-UHFFFAOYSA-N 0 0 306.365 3.142 20 10 DGCDRN C[C@@H](NC(=O)[C@H](C)Oc1ccccc1F)c1ccccc1O ZINC001635793866 1194572590 /nfs/dbraw/zinc/57/25/90/1194572590.db2.gz LNWORMDUIQYZPY-NEPJUHHUSA-N 0 0 303.333 3.176 20 10 DGCDRN O=C(COc1ccc(F)c(Cl)c1)N1Cc2cccc(O)c2C1 ZINC001636231210 1194601098 /nfs/dbraw/zinc/60/10/98/1194601098.db2.gz WJAARKCCXCGJOR-UHFFFAOYSA-N 0 0 321.735 3.106 20 10 DGCDRN CON(C[C@@H]1CCC[C@H](C)C1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001636923189 1194641257 /nfs/dbraw/zinc/64/12/57/1194641257.db2.gz XJYIDZAVVBTVNY-UMNYSTRASA-N 0 0 319.401 3.327 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1[nH]c2ccccc2c1Cl ZINC001637122390 1194650927 /nfs/dbraw/zinc/65/09/27/1194650927.db2.gz FAEXQCWMRQHVIA-UHFFFAOYSA-N 0 0 316.744 3.163 20 10 DGCDRN CC(C)Oc1cccnc1C(=O)NCc1cccc(Cl)c1O ZINC001637226975 1194658004 /nfs/dbraw/zinc/65/80/04/1194658004.db2.gz HMRDWGSTBKYAQJ-UHFFFAOYSA-N 0 0 320.776 3.158 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@H]1CCc2cccc(O)c21 ZINC001637226870 1194658097 /nfs/dbraw/zinc/65/80/97/1194658097.db2.gz CSPHTDKCTCVFPU-LBPRGKRZSA-N 0 0 317.772 3.097 20 10 DGCDRN O=C(C[C@@H]1OCc2ccccc21)NCc1cccc(Cl)c1O ZINC001637232319 1194658150 /nfs/dbraw/zinc/65/81/50/1194658150.db2.gz PRKFBWGWVRICJV-HNNXBMFYSA-N 0 0 317.772 3.323 20 10 DGCDRN O=C(NCc1cccc2ncccc12)N1Cc2cccc(O)c2C1 ZINC001638195634 1194706460 /nfs/dbraw/zinc/70/64/60/1194706460.db2.gz LGLXMINARJEZBE-UHFFFAOYSA-N 0 0 319.364 3.166 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CC3CCC2CC3)cc1 ZINC001638804576 1194738263 /nfs/dbraw/zinc/73/82/63/1194738263.db2.gz WBVJASMSFHYNTD-YIZWMMSDSA-N 0 0 314.389 3.405 20 10 DGCDRN Cc1cc(C)cc(OCCC(=O)NCc2c(O)cccc2F)c1 ZINC001638858117 1194741310 /nfs/dbraw/zinc/74/13/10/1194741310.db2.gz HRDIHYDDLJASKY-UHFFFAOYSA-N 0 0 317.360 3.233 20 10 DGCDRN C[C@]1(C(=O)NCc2c(O)cccc2F)CCCc2ccccc21 ZINC001638864382 1194741573 /nfs/dbraw/zinc/74/15/73/1194741573.db2.gz YPQDTYDFSFNJRC-IBGZPJMESA-N 0 0 313.372 3.442 20 10 DGCDRN CCOc1cccc(/C=C\C(=O)NCc2c(O)cccc2F)c1 ZINC001638866658 1194742057 /nfs/dbraw/zinc/74/20/57/1194742057.db2.gz IGPGWKLSVDZZNX-KTKRTIGZSA-N 0 0 315.344 3.260 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(N)cc1F ZINC001638957320 1194744668 /nfs/dbraw/zinc/74/46/68/1194744668.db2.gz NFBKCRRRMKIPNB-GFCCVEGCSA-N 0 0 315.392 3.273 20 10 DGCDRN O=C(NCCC1(c2ccccc2)CC1)c1c(F)ccc(O)c1O ZINC001639075642 1194749936 /nfs/dbraw/zinc/74/99/36/1194749936.db2.gz SZMLFDUQYAVORT-UHFFFAOYSA-N 0 0 315.344 3.089 20 10 DGCDRN CC(C)(C)c1cc(C(=O)NCc2c(O)ccc3ccccc32)[nH]n1 ZINC001639383816 1194762410 /nfs/dbraw/zinc/76/24/10/1194762410.db2.gz AXFRYGKXEMUNCE-UHFFFAOYSA-N 0 0 323.396 3.496 20 10 DGCDRN Cc1cc(CC(=O)N2CCCC(=O)[C@H]2C)c(C)n1-c1ccccc1 ZINC001639860704 1194785091 /nfs/dbraw/zinc/78/50/91/1194785091.db2.gz ICDZRWYDDRGKGX-MRXNPFEDSA-N 0 0 324.424 3.217 20 10 DGCDRN CN(C(=O)/C=C/c1cncc(F)c1)c1cccc2c1CCCN2 ZINC001639934384 1194787888 /nfs/dbraw/zinc/78/78/88/1194787888.db2.gz NYOWNYITRPDZJN-BQYQJAHWSA-N 0 0 311.360 3.255 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCC(C)(C)[C@H](C)O ZINC001640042304 1194793559 /nfs/dbraw/zinc/79/35/59/1194793559.db2.gz ZIEXNUQIYBALDM-ZDUSSCGKSA-N 0 0 320.458 3.292 20 10 DGCDRN FC(F)c1cc(Sc2ncc(Cl)s2)n2ncnc2n1 ZINC001640213285 1194802012 /nfs/dbraw/zinc/80/20/12/1194802012.db2.gz RKDADWUFHCWXSR-UHFFFAOYSA-N 0 0 319.749 3.323 20 10 DGCDRN CC(C)(C(=O)NCc1cccc(Cl)c1O)c1cccc(O)c1 ZINC001640404533 1194811726 /nfs/dbraw/zinc/81/17/26/1194811726.db2.gz CGQKMTQKAIMPQH-UHFFFAOYSA-N 0 0 319.788 3.345 20 10 DGCDRN O=C(/C=C\c1ccc(O)cc1)NCc1cccc(Cl)c1O ZINC001640404828 1194811830 /nfs/dbraw/zinc/81/18/30/1194811830.db2.gz IAFBEUFSCWGVPO-TWGQIWQCSA-N 0 0 303.745 3.081 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cc(-c3ccccc3)no2)c1 ZINC001640796705 1194828249 /nfs/dbraw/zinc/82/82/49/1194828249.db2.gz MCQYCXVVEGEJRH-UHFFFAOYSA-N 0 0 308.337 3.286 20 10 DGCDRN O=C(NCCOc1ccc(Cl)c(F)c1)C1=CC(=O)CS1 ZINC001640813003 1194829134 /nfs/dbraw/zinc/82/91/34/1194829134.db2.gz RVWRSZLCDPZPKD-UHFFFAOYSA-N 0 0 315.753 3.055 20 10 DGCDRN COC(=O)c1cc(OC[C@H]2C[C@@H](C)O[C@@H](C)C2)ccc1N(C)C ZINC001641368527 1194850119 /nfs/dbraw/zinc/85/01/19/1194850119.db2.gz KHAHZIKKYKOISP-WDNDVIMCSA-N 0 0 321.417 3.122 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cc3c(cc2O)CCCC3)c1 ZINC001641732414 1194869082 /nfs/dbraw/zinc/86/90/82/1194869082.db2.gz AMCSBVCRYWEQMK-UHFFFAOYSA-N 0 0 311.381 3.215 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC(C)(C)F)c1 ZINC001642260301 1194896718 /nfs/dbraw/zinc/89/67/18/1194896718.db2.gz MZSPPCNSUCUDCX-UHFFFAOYSA-N 0 0 316.376 3.385 20 10 DGCDRN COC(=O)c1cc(CN(C)c2ccc3c(c2)OCO3)ccc1C ZINC001642301406 1194900137 /nfs/dbraw/zinc/90/01/37/1194900137.db2.gz YMKIUBSISHWIJJ-UHFFFAOYSA-N 0 0 313.353 3.147 20 10 DGCDRN Cc1cc(CNC(=O)Cc2ccncc2)c(C)n1-c1ccccc1 ZINC001642459571 1194911930 /nfs/dbraw/zinc/91/19/30/1194911930.db2.gz PTMXEGYLMPKDRA-UHFFFAOYSA-N 0 0 319.408 3.348 20 10 DGCDRN Cc1cc(CNC(=O)c2cc(C=O)c[nH]2)c(C)n1-c1ccccc1 ZINC001642459399 1194911961 /nfs/dbraw/zinc/91/19/61/1194911961.db2.gz LNUXMULVVMRQBU-UHFFFAOYSA-N 0 0 321.380 3.165 20 10 DGCDRN CCOC(=O)c1cnc(Sc2ccc3c(c2)CCO3)s1 ZINC001642775043 1194938261 /nfs/dbraw/zinc/93/82/61/1194938261.db2.gz BQNPSLLQGVEKSH-UHFFFAOYSA-N 0 0 307.396 3.406 20 10 DGCDRN C[C@@H](NC(=O)c1ccccc1-n1cccn1)c1ccccc1O ZINC001642824055 1194943238 /nfs/dbraw/zinc/94/32/38/1194943238.db2.gz DJSWYSZZDJABDE-CYBMUJFWSA-N 0 0 307.353 3.069 20 10 DGCDRN C[C@H](NC(=O)[C@H](C)n1cnc2ccccc21)c1ccccc1O ZINC001642830277 1194944828 /nfs/dbraw/zinc/94/48/28/1194944828.db2.gz CFHZBRUZTLJKRO-STQMWFEESA-N 0 0 309.369 3.180 20 10 DGCDRN C[C@@H](Nc1ncnc(F)c1Br)c1ccccc1O ZINC001643063731 1194964589 /nfs/dbraw/zinc/96/45/89/1194964589.db2.gz MYRXQDUVCGTRLZ-SSDOTTSWSA-N 0 0 312.142 3.257 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H]2c3ccccc3CC[C@H]2F)c(O)c1O ZINC001643473426 1195027250 /nfs/dbraw/zinc/02/72/50/1195027250.db2.gz QDCNIDPBMDLXLH-HUUCEWRRSA-N 0 0 315.344 3.162 20 10 DGCDRN COC(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001643742085 1195051135 /nfs/dbraw/zinc/05/11/35/1195051135.db2.gz NTQGFUKKXNYRHD-NSHDSACASA-N 0 0 314.341 3.062 20 10 DGCDRN COCC1(CNC(=O)c2sccc2-n2c(C)ccc2C)CC1 ZINC001644103354 1195081221 /nfs/dbraw/zinc/08/12/21/1195081221.db2.gz DIPNBYFHEZRZEY-UHFFFAOYSA-N 0 0 318.442 3.312 20 10 DGCDRN Cc1cccn2c(=O)cc(CSc3ncc(Cl)s3)nc12 ZINC001644122976 1195083532 /nfs/dbraw/zinc/08/35/32/1195083532.db2.gz RVEAMIZKNKMQQY-UHFFFAOYSA-N 0 0 323.830 3.405 20 10 DGCDRN COC(=O)c1cc(OCc2ccccc2OC)ccc1N(C)C ZINC001644179025 1195087368 /nfs/dbraw/zinc/08/73/68/1195087368.db2.gz LEQXBJBLWMCAFD-UHFFFAOYSA-N 0 0 315.369 3.127 20 10 DGCDRN C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1O ZINC001644183132 1195087488 /nfs/dbraw/zinc/08/74/88/1195087488.db2.gz GPMXQHXWOFNPPG-SECBINFHSA-N 0 0 308.284 3.429 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC001644754028 1195132205 /nfs/dbraw/zinc/13/22/05/1195132205.db2.gz OIAUGLWDCTVLOT-YLJYHZDGSA-N 0 0 323.392 3.008 20 10 DGCDRN CCN(Cc1cc(C(F)(F)F)nn1C)c1ccc(OC)cc1 ZINC001644855770 1195139096 /nfs/dbraw/zinc/13/90/96/1195139096.db2.gz LZMBAVMMHKNOCV-UHFFFAOYSA-N 0 0 313.323 3.474 20 10 DGCDRN CC(C)n1cc(Cl)c(NC(=O)/C=C\c2ccc(O)c(O)c2)n1 ZINC001644942761 1195144516 /nfs/dbraw/zinc/14/45/16/1195144516.db2.gz JAZHBGMOKPGMRZ-XQRVVYSFSA-N 0 0 321.764 3.181 20 10 DGCDRN C[C@H](C(=O)NCc1c(O)cccc1O)c1cc2ccccc2o1 ZINC001645360579 1195178002 /nfs/dbraw/zinc/17/80/02/1195178002.db2.gz DGFJKVRTOUINBD-NSHDSACASA-N 0 0 311.337 3.264 20 10 DGCDRN O=C(/C=C/c1ccc(Cl)s1)NCc1c(O)cccc1O ZINC001645366683 1195178089 /nfs/dbraw/zinc/17/80/89/1195178089.db2.gz YKUXMISOXCGDGO-FNORWQNLSA-N 0 0 309.774 3.142 20 10 DGCDRN CSc1c(F)cccc1C(=O)NCc1cc(C)ccc1O ZINC001645801020 1195202070 /nfs/dbraw/zinc/20/20/70/1195202070.db2.gz ZVSGPLQWDBDXNG-UHFFFAOYSA-N 0 0 305.374 3.492 20 10 DGCDRN CCO[C@@]1(C)C[C@H]1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001645815036 1195202996 /nfs/dbraw/zinc/20/29/96/1195202996.db2.gz BYAVWGBXDCZZMJ-MJGOQNOKSA-N 0 0 312.413 3.391 20 10 DGCDRN CC(C)Oc1ccccc1C(=O)NCc1c(O)cccc1F ZINC001646035550 1195211308 /nfs/dbraw/zinc/21/13/08/1195211308.db2.gz YNNILNAHTGRPJQ-UHFFFAOYSA-N 0 0 303.333 3.249 20 10 DGCDRN CSc1ccc(F)cc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001647028919 1195241068 /nfs/dbraw/zinc/24/10/68/1195241068.db2.gz BUAOZMRWNJSBBN-UHFFFAOYSA-N 0 0 322.361 3.451 20 10 DGCDRN C/C(=C/C(=O)NCc1c(O)cccc1O)c1ccccc1Cl ZINC001647269523 1195247095 /nfs/dbraw/zinc/24/70/95/1195247095.db2.gz GJZRVRJLXRNTRN-LUAWRHEFSA-N 0 0 317.772 3.471 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1Cc2ccc(F)cc21 ZINC001647829948 1195256531 /nfs/dbraw/zinc/25/65/31/1195256531.db2.gz AQLQHMWXBCSMNZ-CYBMUJFWSA-N 0 0 305.736 3.141 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)C1(Oc2ccccc2)CC1 ZINC001648609498 1195312794 /nfs/dbraw/zinc/31/27/94/1195312794.db2.gz ZXQPWSHJPPYUKZ-UHFFFAOYSA-N 0 0 317.772 3.273 20 10 DGCDRN COc1nc(C)cc(N(C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001650089560 1195359401 /nfs/dbraw/zinc/35/94/01/1195359401.db2.gz YWNVIMNBMBWKLQ-UHFFFAOYSA-N 0 0 312.417 3.030 20 10 DGCDRN CCC(CC)c1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])on1 ZINC001650621284 1195366298 /nfs/dbraw/zinc/36/62/98/1195366298.db2.gz KMISBRSXLMORBM-UHFFFAOYSA-N 0 0 319.361 3.482 20 10 DGCDRN COc1cc(N(C)Cc2ccccc2F)c([N+](=O)[O-])cc1OC ZINC001650654848 1195369047 /nfs/dbraw/zinc/36/90/47/1195369047.db2.gz SIWJCEHBPMPPCH-UHFFFAOYSA-N 0 0 320.320 3.388 20 10 DGCDRN COc1ccc(C(F)(F)C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC001650674519 1195370782 /nfs/dbraw/zinc/37/07/82/1195370782.db2.gz FWUGJBNRFKFKJV-UHFFFAOYSA-N 0 0 319.307 3.035 20 10 DGCDRN COC(=O)c1cnc(Sc2ccc(C)cc2[N+](=O)[O-])s1 ZINC001651095891 1195413198 /nfs/dbraw/zinc/41/31/98/1195413198.db2.gz GXYWOJAFFOVODY-UHFFFAOYSA-N 0 0 310.356 3.298 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1coc2ccc(Cl)cc12 ZINC001651225414 1195428457 /nfs/dbraw/zinc/42/84/57/1195428457.db2.gz IQBBQRWJUCAZCN-UHFFFAOYSA-N 0 0 317.728 3.427 20 10 DGCDRN Cc1ccc2c(CCC(=O)NCc3cc(O)ccc3O)c[nH]c2c1 ZINC001651225556 1195428514 /nfs/dbraw/zinc/42/85/14/1195428514.db2.gz OJXISCXJNCRFAN-UHFFFAOYSA-N 0 0 324.380 3.137 20 10 DGCDRN CN1Cc2ccccc2[C@H]1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001651443285 1195463304 /nfs/dbraw/zinc/46/33/04/1195463304.db2.gz YCTCUJYUFZNPEN-OAHLLOKOSA-N 0 0 320.795 3.461 20 10 DGCDRN CC[C@H]1CN(Cc2cc(F)c(N(C)C)cc2F)CCS1 ZINC001651932021 1195525360 /nfs/dbraw/zinc/52/53/60/1195525360.db2.gz IRTVCOPESYKFRE-LBPRGKRZSA-N 0 0 300.418 3.358 20 10 DGCDRN O=C(CSc1ccc2c(c1)CCO2)c1ccc(O)c(O)c1 ZINC001652036228 1195539792 /nfs/dbraw/zinc/53/97/92/1195539792.db2.gz OHDPTUPHTKVBLG-UHFFFAOYSA-N 0 0 302.351 3.008 20 10 DGCDRN CCOC(=O)c1cnc(Sc2nc3ncccc3s2)s1 ZINC001652119717 1195550546 /nfs/dbraw/zinc/55/05/46/1195550546.db2.gz WUAQTOUTUOLTFR-UHFFFAOYSA-N 0 0 323.424 3.476 20 10 DGCDRN COC(=O)c1ccc2c(c1)CCN2Cc1cccc(Cl)c1O ZINC001652257414 1195571124 /nfs/dbraw/zinc/57/11/24/1195571124.db2.gz VUDKVBUSAMXEMO-UHFFFAOYSA-N 0 0 317.772 3.395 20 10 DGCDRN COc1cc(C)c(CN2CCC=C(Br)C2)c(O)c1 ZINC001652297615 1195576570 /nfs/dbraw/zinc/57/65/70/1195576570.db2.gz BAFAILHKKYOEOW-UHFFFAOYSA-N 0 0 312.207 3.194 20 10 DGCDRN C/C(=C\c1ccc(F)cc1)C(=O)NCc1c(O)cccc1F ZINC001652298401 1195577141 /nfs/dbraw/zinc/57/71/41/1195577141.db2.gz JOPDFNLUQDFQHK-PKNBQFBNSA-N 0 0 303.308 3.390 20 10 DGCDRN Cn1ccnc1[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001652334568 1195584197 /nfs/dbraw/zinc/58/41/97/1195584197.db2.gz POUVCBKWXGJWKF-CYBMUJFWSA-N 0 0 305.809 3.159 20 10 DGCDRN C[C@H](CC(=O)NCc1c(O)ccc2ccccc21)[C@H]1CCCO1 ZINC001652709054 1195639981 /nfs/dbraw/zinc/63/99/81/1195639981.db2.gz TZRJJHWNDAHEEA-FZKQIMNGSA-N 0 0 313.397 3.367 20 10 DGCDRN O=C1NCCc2cc(NCc3cc(Cl)c(F)cc3O)ccc21 ZINC001652812934 1195654776 /nfs/dbraw/zinc/65/47/76/1195654776.db2.gz VMOGGDKCTQZNHR-UHFFFAOYSA-N 0 0 320.751 3.083 20 10 DGCDRN COc1ccc2c(c1)CCCCN2CC(=O)NCC(C)(C)C ZINC001652934489 1195672528 /nfs/dbraw/zinc/67/25/28/1195672528.db2.gz OSXIBJDLMXICQG-UHFFFAOYSA-N 0 0 304.434 3.000 20 10 DGCDRN C[C@H]1Cc2cc(NC(=O)/C=C/c3ccc(O)c(O)c3)ccc2O1 ZINC001652972583 1195676260 /nfs/dbraw/zinc/67/62/60/1195676260.db2.gz JITQIVHHXJNASV-KTROKBFUSA-N 0 0 311.337 3.073 20 10 DGCDRN CCOC(=O)[C@@H](CCCC(C)C)NCc1cc(F)ccc1O ZINC001653090769 1195687474 /nfs/dbraw/zinc/68/74/74/1195687474.db2.gz BZVRXJBPQHXCAT-OAHLLOKOSA-N 0 0 311.397 3.379 20 10 DGCDRN C[C@H]1Cc2cc(Cl)ccc2N1C(=O)c1cccc(O)c1O ZINC001653937119 1195761890 /nfs/dbraw/zinc/76/18/90/1195761890.db2.gz SLRMMXTXAVPHTP-VIFPVBQESA-N 0 0 303.745 3.343 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C[C@H]1CCCC2(CCC2)O1 ZINC001654010988 1195765860 /nfs/dbraw/zinc/76/58/60/1195765860.db2.gz GTBPTWGLSLINIR-MRXNPFEDSA-N 0 0 316.445 3.443 20 10 DGCDRN O=C(NCCCc1cccc(Cl)c1)c1c(F)ccc(O)c1O ZINC001654534142 1195815011 /nfs/dbraw/zinc/81/50/11/1195815011.db2.gz KTPSEMDGFWLYDZ-UHFFFAOYSA-N 0 0 323.751 3.253 20 10 DGCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2CCOC(=O)N(C)C ZINC001654793616 1195841800 /nfs/dbraw/zinc/84/18/00/1195841800.db2.gz RTGVQFTUVNHYOG-OAHLLOKOSA-N 0 0 320.433 3.028 20 10 DGCDRN CC[C@H](CO)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001655319216 1195903012 /nfs/dbraw/zinc/90/30/12/1195903012.db2.gz IRHOESBQUJSRAW-CYBMUJFWSA-N 0 0 314.341 3.009 20 10 DGCDRN COC(=O)/C=C/c1ccc(N2CCC=C(Cl)C2)c([N+](=O)[O-])c1 ZINC001655629616 1195942621 /nfs/dbraw/zinc/94/26/21/1195942621.db2.gz AYRNAUYZGVJODE-FNORWQNLSA-N 0 0 322.748 3.114 20 10 DGCDRN COc1cc(NCc2c(O)cccc2O)c(Cl)cc1[N+](=O)[O-] ZINC001655887781 1195974217 /nfs/dbraw/zinc/97/42/17/1195974217.db2.gz WIZIJUKBMVSDCA-UHFFFAOYSA-N 0 0 324.720 3.280 20 10 DGCDRN CNC(=O)Cc1ccc(NCc2c(O)cc(C)cc2Cl)cc1 ZINC001656094625 1195999950 /nfs/dbraw/zinc/99/99/50/1195999950.db2.gz LTWJVNRBWPIEFR-UHFFFAOYSA-N 0 0 318.804 3.255 20 10 DGCDRN COC(=O)c1cnc(SCc2ccc3[nH]c(C)nc3c2)s1 ZINC001656579968 1196052319 /nfs/dbraw/zinc/05/23/19/1196052319.db2.gz HHSBUXHHKRMOLD-UHFFFAOYSA-N 0 0 319.411 3.407 20 10 DGCDRN COc1ccc(CNc2ccc3c(c2)ncn3C)cc1[N+](=O)[O-] ZINC001656764257 1196069734 /nfs/dbraw/zinc/06/97/34/1196069734.db2.gz HBUSFUVQDJLTRB-UHFFFAOYSA-N 0 0 312.329 3.102 20 10 DGCDRN Cc1ccnc(C[NH2+]Cc2cc(C)cc(Br)c2[O-])c1 ZINC001656868630 1196076734 /nfs/dbraw/zinc/07/67/34/1196076734.db2.gz OASUBTDIPUFVHL-UHFFFAOYSA-N 0 0 321.218 3.456 20 10 DGCDRN Cc1ccc([C@@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])N(C)C)cc1 ZINC001657004054 1196092450 /nfs/dbraw/zinc/09/24/50/1196092450.db2.gz VLKVNJFINTWZCG-QGZVFWFLSA-N 0 0 320.383 3.371 20 10 DGCDRN Cc1ccc([C@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])N(C)C)cc1 ZINC001657004053 1196092524 /nfs/dbraw/zinc/09/25/24/1196092524.db2.gz VLKVNJFINTWZCG-KRWDZBQOSA-N 0 0 320.383 3.371 20 10 DGCDRN Oc1c(F)cc(Cl)cc1CNc1ccc(-n2ccnn2)cc1 ZINC001657479348 1196148143 /nfs/dbraw/zinc/14/81/43/1196148143.db2.gz RGATWLOJAPBNEE-UHFFFAOYSA-N 0 0 318.739 3.378 20 10 DGCDRN CCN(C[C@H]1CCC[C@@]2(CCOC2)O1)c1ccc(OC)cc1 ZINC001657657931 1196166698 /nfs/dbraw/zinc/16/66/98/1196166698.db2.gz WFGLOWQPEBRAOK-MSOLQXFVSA-N 0 0 305.418 3.250 20 10 DGCDRN COc1ccc2c(c1)CCCCN2CCn1cc(Cl)cn1 ZINC001657841534 1196184374 /nfs/dbraw/zinc/18/43/74/1196184374.db2.gz DAUUVJCVPBILFY-UHFFFAOYSA-N 0 0 305.809 3.388 20 10 DGCDRN CN(C)c1ccc(/C=C\CNc2ccc(C(N)=O)c(F)c2)cc1 ZINC001657903144 1196192372 /nfs/dbraw/zinc/19/23/72/1196192372.db2.gz JBACJQIRLVDHPD-ARJAWSKDSA-N 0 0 313.376 3.116 20 10 DGCDRN CC(C)OC(=O)[C@@H](NCc1ccc2c(c1)CCCO2)C(C)C ZINC001658003082 1196200729 /nfs/dbraw/zinc/20/07/29/1196200729.db2.gz KBNYRJMCEBGSPI-KRWDZBQOSA-N 0 0 305.418 3.077 20 10 DGCDRN COc1cc(CN(C)Cc2ccc(N3CCCC3)cc2)sn1 ZINC001658035504 1196205510 /nfs/dbraw/zinc/20/55/10/1196205510.db2.gz GJSHSCBGYLTJHM-UHFFFAOYSA-N 0 0 317.458 3.384 20 10 DGCDRN COC(=O)c1cccc(NCc2cc(C)cc(OC)c2O)c1 ZINC001658305339 1196239716 /nfs/dbraw/zinc/23/97/16/1196239716.db2.gz PTJKDOQKRLCQLA-UHFFFAOYSA-N 0 0 301.342 3.108 20 10 DGCDRN CC[C@H](C(=O)OC(C)(C)C)N(C)Cc1cc(F)c(F)cc1O ZINC001658464775 1196260486 /nfs/dbraw/zinc/26/04/86/1196260486.db2.gz AQGJDNHDBQAHTQ-CYBMUJFWSA-N 0 0 315.360 3.223 20 10 DGCDRN CN(C)c1ccc(/C=C\CNc2ccc(CNC(N)=O)cc2)cc1 ZINC001658614231 1196280894 /nfs/dbraw/zinc/28/08/94/1196280894.db2.gz CHAYUEKNKMSTBU-ARJAWSKDSA-N 0 0 324.428 3.046 20 10 DGCDRN CCC(CC)(C[NH2+]Cc1cc(Cl)cc(F)c1[O-])C(=O)OC ZINC001658791409 1196301538 /nfs/dbraw/zinc/30/15/38/1196301538.db2.gz FCHYPEVSOLZHMW-UHFFFAOYSA-N 0 0 317.788 3.254 20 10 DGCDRN Cc1cc(O)c(CN2CCN(CC(C)C)C(=O)[C@H]2C)cc1Cl ZINC001658955672 1196324460 /nfs/dbraw/zinc/32/44/60/1196324460.db2.gz YRYVWIUFOHXEEK-CYBMUJFWSA-N 0 0 324.852 3.043 20 10 DGCDRN COc1cc(CN(C)C/C=C\c2ccc(N(C)C)cc2)sn1 ZINC001658969505 1196325985 /nfs/dbraw/zinc/32/59/85/1196325985.db2.gz KJCRGDAEWXBALH-WAYWQWQTSA-N 0 0 317.458 3.363 20 10 DGCDRN CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cc(F)cc(F)c1[O-] ZINC001658973695 1196326581 /nfs/dbraw/zinc/32/65/81/1196326581.db2.gz CCFQMIDPLZDCDV-MRXNPFEDSA-N 0 0 321.367 3.444 20 10 DGCDRN COc1ccccc1N(CCO)Cc1ccc(Cl)cc1O ZINC001659346674 1196373503 /nfs/dbraw/zinc/37/35/03/1196373503.db2.gz JPBVGCDBOSJPKZ-UHFFFAOYSA-N 0 0 307.777 3.053 20 10 DGCDRN Cc1cc(NC(=O)N[C@@H](C)c2ccccc2O)ccc1[N+](=O)[O-] ZINC001660278221 1196465547 /nfs/dbraw/zinc/46/55/47/1196465547.db2.gz PZCRTRZKFOHGBH-NSHDSACASA-N 0 0 315.329 3.492 20 10 DGCDRN CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3cc(F)c(F)cc3[O-])C2)n1 ZINC001660801094 1196526745 /nfs/dbraw/zinc/52/67/45/1196526745.db2.gz ZUCNHUQSHDXQKY-KOLCDFICSA-N 0 0 323.343 3.042 20 10 DGCDRN C[C@H]1CCc2nc(CNCc3ccc4c(c3)CCO4)sc2C1 ZINC001661224314 1196585027 /nfs/dbraw/zinc/58/50/27/1196585027.db2.gz MEPMTKDZODQWSO-LBPRGKRZSA-N 0 0 314.454 3.493 20 10 DGCDRN C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001661421082 1196604356 /nfs/dbraw/zinc/60/43/56/1196604356.db2.gz SQWYDWLDAJYQDO-MEDUHNTESA-N 0 0 323.795 3.439 20 10 DGCDRN O=C(CC[NH2+]Cc1cc(Cl)cc(F)c1[O-])Nc1ccccc1 ZINC001661429089 1196605081 /nfs/dbraw/zinc/60/50/81/1196605081.db2.gz TVQWNWMADQVDMQ-UHFFFAOYSA-N 0 0 322.767 3.303 20 10 DGCDRN C[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])Oc1ccccc1F ZINC001661571707 1196620849 /nfs/dbraw/zinc/62/08/49/1196620849.db2.gz AVYJYKFHMAXVBR-SNVBAGLBSA-N 0 0 311.303 3.367 20 10 DGCDRN CCC1(CC)[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])[C@@H](C)[C@H]1OC ZINC001662083583 1196679410 /nfs/dbraw/zinc/67/94/10/1196679410.db2.gz LVAUHFPGIWFWPK-HFBAOOFYSA-N 0 0 322.405 3.230 20 10 DGCDRN COC[C@@H](C)n1ccc(NCc2cc(Cl)cc(F)c2O)n1 ZINC001662275757 1196701853 /nfs/dbraw/zinc/70/18/53/1196701853.db2.gz MFLRAYZSSOMXPZ-SECBINFHSA-N 0 0 313.760 3.201 20 10 DGCDRN COCC1(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CCCC1 ZINC001662668024 1196738362 /nfs/dbraw/zinc/73/83/62/1196738362.db2.gz XIRLMWNHVRPDHM-UHFFFAOYSA-N 0 0 301.789 3.481 20 10 DGCDRN C[C@H](NS(=O)(=O)c1cccc2ccoc21)c1ccccc1O ZINC001663669843 1196924995 /nfs/dbraw/zinc/92/49/95/1196924995.db2.gz CABAALUSNCSEBV-NSHDSACASA-N 0 0 317.366 3.178 20 10 DGCDRN Cn1cc([C@@H](NCc2ccc(Cl)cc2O)C(F)(F)F)cn1 ZINC001664639708 1197024531 /nfs/dbraw/zinc/02/45/31/1197024531.db2.gz GWXPFAJFBMGNFJ-GFCCVEGCSA-N 0 0 319.714 3.172 20 10 DGCDRN COC(=O)[C@H](C[NH2+]Cc1c(O)cc(C)cc1Cl)CC(C)C ZINC001664891974 1197077514 /nfs/dbraw/zinc/07/75/14/1197077514.db2.gz NDKFJQSFONGRNI-LBPRGKRZSA-N 0 0 313.825 3.279 20 10 DGCDRN CC1(C)CC[C@H](CO)[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001665533799 1197148656 /nfs/dbraw/zinc/14/86/56/1197148656.db2.gz SLWYIEQKNNILGL-LLVKDONJSA-N 0 0 301.789 3.168 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccc2nonc2c1 ZINC001665857904 1197208238 /nfs/dbraw/zinc/20/82/38/1197208238.db2.gz JLEFWFFJYXWWDB-UHFFFAOYSA-N 0 0 307.712 3.011 20 10 DGCDRN Cn1cncc1C1CC[NH+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC001665926358 1197217629 /nfs/dbraw/zinc/21/76/29/1197217629.db2.gz RCYANCXFDPXUCQ-UHFFFAOYSA-N 0 0 323.799 3.298 20 10 DGCDRN O=C(Nc1cccc2c(=O)[nH]ccc12)N1Cc2cccc(O)c2C1 ZINC001671420571 1197539280 /nfs/dbraw/zinc/53/92/80/1197539280.db2.gz ZSLYCPLMIVMQES-UHFFFAOYSA-N 0 0 321.336 3.194 20 10 DGCDRN Cc1nn(C)c2cc(NC(=O)NCc3cc(C)ccc3O)ccc12 ZINC001672109208 1197591934 /nfs/dbraw/zinc/59/19/34/1197591934.db2.gz UQDCNMAROVJSED-UHFFFAOYSA-N 0 0 324.384 3.217 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC001672307655 1197604063 /nfs/dbraw/zinc/60/40/63/1197604063.db2.gz HMXZFYRLHRMBMU-UHFFFAOYSA-N 0 0 319.292 3.070 20 10 DGCDRN O=C(NCc1c(O)cccc1F)Nc1ccc2c(n1)CCCC2 ZINC001672898241 1197627140 /nfs/dbraw/zinc/62/71/40/1197627140.db2.gz CLLVMOOZJJRMAY-UHFFFAOYSA-N 0 0 315.348 3.127 20 10 DGCDRN COc1c(C)ccc(NC(=O)NCc2c(O)cccc2F)c1C ZINC001673119043 1197638788 /nfs/dbraw/zinc/63/87/88/1197638788.db2.gz CBJFMGOCUPYWCB-UHFFFAOYSA-N 0 0 318.348 3.478 20 10 DGCDRN Cc1cc(NC(=O)NCc2c(O)cccc2F)cc(Cl)n1 ZINC001673262370 1197647578 /nfs/dbraw/zinc/64/75/78/1197647578.db2.gz HRNZYRPENNHUDB-UHFFFAOYSA-N 0 0 309.728 3.210 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@@H](C)[C@H](C)C1 ZINC001673745067 1197689438 /nfs/dbraw/zinc/68/94/38/1197689438.db2.gz RAWAGXTUISJNRZ-OAGGEKHMSA-N 0 0 317.477 3.289 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CC[C@@H](C)C1 ZINC001673745513 1197689703 /nfs/dbraw/zinc/68/97/03/1197689703.db2.gz VPBGJFBUOPFBBV-KMFMINBZSA-N 0 0 317.477 3.480 20 10 DGCDRN C[C@H]1CCC(C)(C)N1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001676247020 1198261425 /nfs/dbraw/zinc/26/14/25/1198261425.db2.gz GYAREKZXWCEZNF-LBPRGKRZSA-N 0 0 307.413 3.364 20 10 DGCDRN COc1cccc(NC(=O)N2Cc3cccc(O)c3C2)c1F ZINC001676721174 1198373302 /nfs/dbraw/zinc/37/33/02/1198373302.db2.gz PAIQJNNPLWOQAQ-UHFFFAOYSA-N 0 0 302.305 3.088 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC/C=C\C2CC2)cc1 ZINC001677039341 1198468987 /nfs/dbraw/zinc/46/89/87/1198468987.db2.gz JSOOTKGINVRRHH-WAYWQWQTSA-N 0 0 301.434 3.298 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001677960053 1198612265 /nfs/dbraw/zinc/61/22/65/1198612265.db2.gz WSRUSYBKHSEJLG-UHFFFAOYSA-N 0 0 319.292 3.103 20 10 DGCDRN CCC[C@@H](CNC(=O)NCc1ccc(N(CC)CC)cc1)OC ZINC001682769361 1199194310 /nfs/dbraw/zinc/19/43/10/1199194310.db2.gz SPXCPEDYQCLUPQ-KRWDZBQOSA-N 0 0 321.465 3.147 20 10 DGCDRN C[C@H](NC(=O)NCc1cccc(Cl)c1O)c1ccns1 ZINC001684467696 1199386376 /nfs/dbraw/zinc/38/63/76/1199386376.db2.gz QDHAWWBBBAKLAW-QMMMGPOBSA-N 0 0 311.794 3.063 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC001684670511 1199404635 /nfs/dbraw/zinc/40/46/35/1199404635.db2.gz WFYAHUDBVWREGF-FRFSOERESA-N 0 0 314.429 3.259 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCCc2cccc3[nH]ccc32)c1 ZINC001686257380 1199545696 /nfs/dbraw/zinc/54/56/96/1199545696.db2.gz OUVAZLDJKOGOIG-UHFFFAOYSA-N 0 0 323.396 3.224 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC(C)(C)F ZINC001686827284 1199592886 /nfs/dbraw/zinc/59/28/86/1199592886.db2.gz ZPJMHRULHDIXGM-ZDUSSCGKSA-N 0 0 309.429 3.039 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCCC(F)F ZINC001687835356 1199643380 /nfs/dbraw/zinc/64/33/80/1199643380.db2.gz HAJAOTZIWHGJJL-UHFFFAOYSA-N 0 0 311.376 3.083 20 10 DGCDRN CCN(CC)c1ccc(Cn2c(C)nnc2N2CCCC2)cc1 ZINC001766608865 1199804416 /nfs/dbraw/zinc/80/44/16/1199804416.db2.gz RTAYTUOZANSEQT-UHFFFAOYSA-N 0 0 313.449 3.081 20 10 DGCDRN CN(Cc1ccccc1O)c1nnc(C2CC2)n1[C@@H]1C[C@H]1CF ZINC001711095129 1202596632 /nfs/dbraw/zinc/59/66/32/1202596632.db2.gz BSXGYTLCPYWKNW-UONOGXRCSA-N 0 0 316.380 3.028 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1C=CCCC1 ZINC000157980236 1202603180 /nfs/dbraw/zinc/60/31/80/1202603180.db2.gz VMXFCLUJMNRUHC-INIZCTEOSA-N 0 0 301.434 3.393 20 10 DGCDRN CC(C)c1nnc(N(C)Cc2ccccc2O)n1[C@@H]1C[C@H]1CF ZINC001741335579 1203284114 /nfs/dbraw/zinc/28/41/14/1203284114.db2.gz WRWSADNKWUEZCQ-UONOGXRCSA-N 0 0 318.396 3.274 20 10 DGCDRN Cc1nnc(N(C)C2CCC2)n1CCCSc1nccs1 ZINC001726350631 1204292871 /nfs/dbraw/zinc/29/28/71/1204292871.db2.gz NMSINVOFTUEZEZ-UHFFFAOYSA-N 0 0 323.491 3.214 20 10 DGCDRN O=C([O-])[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)c2ccccc21 ZINC001594900419 954624020 /nfs/dbraw/zinc/62/40/20/954624020.db2.gz OBDKHNXVUHCFJQ-OWCLPIDISA-N 0 0 309.365 3.282 20 10 DGCDRN CN(C)c1ccc(C[N@H+](C)CCCC(=O)[O-])c(C(F)(F)F)c1 ZINC001574008191 961918149 /nfs/dbraw/zinc/91/81/49/961918149.db2.gz ZBANRZBTMQGROG-UHFFFAOYSA-N 0 0 318.339 3.068 20 10 DGCDRN CC[C@@H](C(=O)[O-])[N@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC001603500792 973467966 /nfs/dbraw/zinc/46/79/66/973467966.db2.gz OSWBTYHPSJFDPP-INIZCTEOSA-N 0 0 304.434 3.280 20 10 DGCDRN CCOc1cccc(C[NH2+][C@@H](CC2CCCCC2)C(=O)[O-])c1O ZINC001597155237 986948025 /nfs/dbraw/zinc/94/80/25/986948025.db2.gz JIMVDLKINHPFNE-HNNXBMFYSA-N 0 0 321.417 3.304 20 10 DGCDRN COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CC(C)(C)CC(=O)[O-])c1 ZINC001599598283 993778036 /nfs/dbraw/zinc/77/80/36/993778036.db2.gz KKKNBHDZBSUPNJ-RYUDHWBXSA-N 0 0 309.406 3.331 20 10 DGCDRN CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)cn1 ZINC001593197402 994162502 /nfs/dbraw/zinc/16/25/02/994162502.db2.gz JVPVOMOMWSTOBB-NEPJUHHUSA-N 0 0 317.389 3.280 20 10 DGCDRN C[C@@H]([NH2+]CCc1ccc(Cl)nc1)c1cc(C(=O)[O-])ccc1O ZINC001593274773 994626423 /nfs/dbraw/zinc/62/64/23/994626423.db2.gz NWGDJGBTNNTNPA-SNVBAGLBSA-N 0 0 320.776 3.032 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cc(C(=O)[O-])ccc1O ZINC001593299873 994726492 /nfs/dbraw/zinc/72/64/92/994726492.db2.gz XIKLTCRLLZQWJV-GFCCVEGCSA-N 0 0 314.385 3.007 20 10 DGCDRN COc1ccc(N2CCN(Cc3csc(C)n3)CC2)c(C)c1 ZINC001206809372 1081687779 /nfs/dbraw/zinc/68/77/79/1081687779.db2.gz YDQZTQNUCFWYKK-UHFFFAOYSA-N 0 0 317.458 3.091 20 10 DGCDRN Cc1cccc(CN2CCCc3cc(O)c(O)cc3C2)c1F ZINC001137678331 1081728711 /nfs/dbraw/zinc/72/87/11/1081728711.db2.gz IXQNNTIRDCNGCO-UHFFFAOYSA-N 0 0 301.361 3.494 20 10 DGCDRN Cc1nc(NCc2ccc(O)c(O)c2)ccc1Br ZINC001169993299 1081805197 /nfs/dbraw/zinc/80/51/97/1081805197.db2.gz SCUHXYFJQKOEBV-UHFFFAOYSA-N 0 0 309.163 3.176 20 10 DGCDRN Cc1nccc(-c2ccc(NCc3ccc(O)c(O)c3)cc2)n1 ZINC001169994849 1081816288 /nfs/dbraw/zinc/81/62/88/1081816288.db2.gz KMQKSRJKOIWFGV-UHFFFAOYSA-N 0 0 307.353 3.475 20 10 DGCDRN Oc1ccc(CNc2ccc3nc(C(F)(F)F)cn3c2)cc1O ZINC001169995273 1081818809 /nfs/dbraw/zinc/81/88/09/1081818809.db2.gz XBALABDWXGDXDM-UHFFFAOYSA-N 0 0 323.274 3.376 20 10 DGCDRN Cc1nc(OCC(C)C)ccc1NCc1ccc(O)c(O)c1 ZINC001169996733 1081819847 /nfs/dbraw/zinc/81/98/47/1081819847.db2.gz INYQZEYKBJKUNU-UHFFFAOYSA-N 0 0 302.374 3.448 20 10 DGCDRN Oc1ccc(CNc2ccnc(OCc3ccccn3)c2)cc1O ZINC001169996911 1081820013 /nfs/dbraw/zinc/82/00/13/1081820013.db2.gz MBRRAHZZPRMQPF-UHFFFAOYSA-N 0 0 323.352 3.079 20 10 DGCDRN Oc1ccc(CNc2ccc(OC(F)(F)F)nc2)cc1O ZINC001169997116 1081822315 /nfs/dbraw/zinc/82/23/15/1081822315.db2.gz RHXCGRZJMVMZHS-UHFFFAOYSA-N 0 0 300.236 3.004 20 10 DGCDRN CC1(C)CC([N@@H+]2CCc3cccc(O)c3C2)CC(C)(C)N1O ZINC001170004739 1081841235 /nfs/dbraw/zinc/84/12/35/1081841235.db2.gz LKSNBLREEGLCRA-UHFFFAOYSA-N 0 0 304.434 3.161 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccc(-c3cnn(C)c3)cc2)c1 ZINC001167293764 1081913474 /nfs/dbraw/zinc/91/34/74/1081913474.db2.gz RLXFNEFGJQWAMC-UHFFFAOYSA-N 0 0 321.380 3.031 20 10 DGCDRN CN(C)c1ccc(CN(C)c2nnc(Cl)cc2Cl)cc1 ZINC001156924067 1081925547 /nfs/dbraw/zinc/92/55/47/1081925547.db2.gz OATFQUVSAWGGSA-UHFFFAOYSA-N 0 0 311.216 3.486 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)COC(C)C ZINC001143379546 1081930724 /nfs/dbraw/zinc/93/07/24/1081930724.db2.gz AGFKTXFPGFCPCI-KRWDZBQOSA-N 0 0 305.418 3.174 20 10 DGCDRN C/C(=C/c1cccc(Cl)c1)C(=O)NCc1ccc(O)c(O)c1 ZINC000588401084 1082142295 /nfs/dbraw/zinc/14/22/95/1082142295.db2.gz AQCSERNYKGSXEF-XFFZJAGNSA-N 0 0 317.772 3.471 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCc1ccc(Cl)s1 ZINC000588403310 1082146728 /nfs/dbraw/zinc/14/67/28/1082146728.db2.gz DSJGMDHSYPHYNS-KXFIGUGUSA-N 0 0 323.801 3.185 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccccc1Cl ZINC000588403274 1082146814 /nfs/dbraw/zinc/14/68/14/1082146814.db2.gz DGCVVEANWXEHBI-VURMDHGXSA-N 0 0 303.745 3.081 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(OC(F)F)cc1 ZINC000588403494 1082146862 /nfs/dbraw/zinc/14/68/62/1082146862.db2.gz LXVXRXNPONTKJT-WAPJZHGLSA-N 0 0 321.279 3.351 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCc1cccc(Cl)c1 ZINC000588403851 1082147327 /nfs/dbraw/zinc/14/73/27/1082147327.db2.gz WNZWNZKFLKFTPP-ALCCZGGFSA-N 0 0 317.772 3.123 20 10 DGCDRN CC(C)(CNC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC000588404315 1082147452 /nfs/dbraw/zinc/14/74/52/1082147452.db2.gz JKSDBQLPTQDXRI-LUAWRHEFSA-N 0 0 311.381 3.205 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC1(c2ccccc2)CCC1 ZINC000588405318 1082150310 /nfs/dbraw/zinc/15/03/10/1082150310.db2.gz AVXXUBQXLZZSCF-NTMALXAHSA-N 0 0 309.365 3.307 20 10 DGCDRN CCS[C@@H]1CC[C@H](N(C)C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000588405672 1082151709 /nfs/dbraw/zinc/15/17/09/1082151709.db2.gz HLIWZMDKTPQLOF-VMZLMLEMSA-N 0 0 321.442 3.244 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(-c2cnco2)c1 ZINC000588405724 1082151891 /nfs/dbraw/zinc/15/18/91/1082151891.db2.gz PKOOHLJFNZOCPW-ALCCZGGFSA-N 0 0 322.320 3.405 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cc3c(o2)CCCC3)cc1F ZINC001125534808 1082239077 /nfs/dbraw/zinc/23/90/77/1082239077.db2.gz NQXLWPLJNXIXMT-UHFFFAOYSA-N 0 0 316.376 3.294 20 10 DGCDRN O=C(CNc1ccc2[nH]ccc2c1F)c1ccc(O)c(O)c1 ZINC001170320430 1082345450 /nfs/dbraw/zinc/34/54/50/1082345450.db2.gz AAOCWOWQXSNNLC-UHFFFAOYSA-N 0 0 300.289 3.013 20 10 DGCDRN O=C(CNc1cccc2[nH]cc(F)c21)c1ccc(O)c(O)c1 ZINC001170322727 1082345975 /nfs/dbraw/zinc/34/59/75/1082345975.db2.gz OEIMOYFXCJYXKS-UHFFFAOYSA-N 0 0 300.289 3.013 20 10 DGCDRN O=C(CNc1cccc(-c2cccnc2)c1)c1ccc(O)c(O)c1 ZINC001170322996 1082346679 /nfs/dbraw/zinc/34/66/79/1082346679.db2.gz RTXJQEXNAISKDC-UHFFFAOYSA-N 0 0 320.348 3.455 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCO[C@H]1CC1(F)F ZINC000690730190 1082429723 /nfs/dbraw/zinc/42/97/23/1082429723.db2.gz HXHRERWDAVWTCN-JTQLQIEISA-N 0 0 312.143 3.213 20 10 DGCDRN O=C(/C=C\c1cccc(O)c1)NCCCSc1nccs1 ZINC000588536276 1082574730 /nfs/dbraw/zinc/57/47/30/1082574730.db2.gz AIFFJYWKJCWYLK-WAYWQWQTSA-N 0 0 320.439 3.161 20 10 DGCDRN Cc1cncc(/C=C\C(=O)N2CCOc3cc(F)c(F)cc32)c1 ZINC001130408032 1082577235 /nfs/dbraw/zinc/57/72/35/1082577235.db2.gz OHBRNQWSCFLHGZ-IHWYPQMZSA-N 0 0 316.307 3.107 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)/C=C2/CC[C@H](C)C2)cc1 ZINC001130745448 1082610458 /nfs/dbraw/zinc/61/04/58/1082610458.db2.gz WXSFWPKUNKTRNT-RIBQPWQFSA-N 0 0 316.445 3.336 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)/C=C\c2ccc[nH]2)cc1F ZINC000588548284 1082612490 /nfs/dbraw/zinc/61/24/90/1082612490.db2.gz JEQDLMPOPVIELE-NTMALXAHSA-N 0 0 315.392 3.330 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1C[C@@H]1C1CCCC1 ZINC001181441644 1083475805 /nfs/dbraw/zinc/47/58/05/1083475805.db2.gz HVRKLWKCXHEQGN-VKGGURKZSA-N 0 0 301.386 3.054 20 10 DGCDRN CCc1ccc2c(c1)CN(C(=O)/C=C\c1ccc(O)c(O)c1)CC2 ZINC001181680830 1083516429 /nfs/dbraw/zinc/51/64/29/1083516429.db2.gz UQVDDLLNKYIUOQ-YVMONPNESA-N 0 0 323.392 3.258 20 10 DGCDRN COc1cc(C)c(CN2CCCN2C(=O)OC(C)(C)C)c(O)c1 ZINC001181728478 1083523095 /nfs/dbraw/zinc/52/30/95/1083523095.db2.gz DRACIZSNGRERHD-UHFFFAOYSA-N 0 0 322.405 3.067 20 10 DGCDRN CC(C)(C)Cc1cc(NC(=O)CCc2ccc(O)c(O)c2)on1 ZINC001182154231 1083635041 /nfs/dbraw/zinc/63/50/41/1083635041.db2.gz VPHSAVDEIOOHHK-UHFFFAOYSA-N 0 0 318.373 3.246 20 10 DGCDRN O=C([C@@H]1C[C@H]1c1ccccc1F)N1CCc2cccc(O)c2C1 ZINC001182283143 1083670091 /nfs/dbraw/zinc/67/00/91/1083670091.db2.gz BIBYMUGLEMUINI-LSDHHAIUSA-N 0 0 311.356 3.220 20 10 DGCDRN C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@@H]1CO ZINC001203573482 1083991500 /nfs/dbraw/zinc/99/15/00/1083991500.db2.gz BXRGYPVYSGTIGE-NOZJJQNGSA-N 0 0 304.217 3.292 20 10 DGCDRN Cc1cc(CN2C[C@H](F)C[C@H]2C)c(O)cc1Br ZINC001250120621 1083993941 /nfs/dbraw/zinc/99/39/41/1083993941.db2.gz KRXCIQLWGYPWQV-MWLCHTKSSA-N 0 0 302.187 3.395 20 10 DGCDRN COC(=O)[C@@H](NCc1cc(Cl)c(C)cc1O)c1ccccc1 ZINC001184217575 1084127542 /nfs/dbraw/zinc/12/75/42/1084127542.db2.gz HGUJBPCEBPXMMW-INIZCTEOSA-N 0 0 319.788 3.358 20 10 DGCDRN CN(C)c1cc(F)c(CN2CCc3cc(O)ccc3C2)cc1F ZINC001184398747 1084171079 /nfs/dbraw/zinc/17/10/79/1084171079.db2.gz NICPPOLSEPKOIQ-UHFFFAOYSA-N 0 0 318.367 3.295 20 10 DGCDRN Cn1ccnc1[C@H](NCc1ccc(Cl)cc1O)C(F)(F)F ZINC001184429078 1084182660 /nfs/dbraw/zinc/18/26/60/1084182660.db2.gz SMZRWMOADAQBQQ-NSHDSACASA-N 0 0 319.714 3.172 20 10 DGCDRN Cc1cccc(Cl)c1NC(=O)NCc1ccc(O)c(O)c1 ZINC001184558002 1084211190 /nfs/dbraw/zinc/21/11/90/1084211190.db2.gz FYTSBELYOKWKIW-UHFFFAOYSA-N 0 0 306.749 3.381 20 10 DGCDRN CS(=O)(=O)N(c1ccc(N)cc1)c1ccc(C2CC2)cc1F ZINC001213462300 1084514614 /nfs/dbraw/zinc/51/46/14/1084514614.db2.gz QZXXEWFCBHPDMO-UHFFFAOYSA-N 0 0 320.389 3.383 20 10 DGCDRN Cc1cc(C)c(CNC(=O)NCCc2ccc(F)cc2)c(O)c1 ZINC001186299302 1084629964 /nfs/dbraw/zinc/62/99/64/1084629964.db2.gz HBNFFQLTJQGOGP-UHFFFAOYSA-N 0 0 316.376 3.190 20 10 DGCDRN Cc1ccc(O)c(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC001187089743 1084757699 /nfs/dbraw/zinc/75/76/99/1084757699.db2.gz AVBSEVVSVWNPAL-UHFFFAOYSA-N 0 0 303.274 3.129 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CC[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000829048336 1084795147 /nfs/dbraw/zinc/79/51/47/1084795147.db2.gz YIUUQQFNBSAACZ-SCXUMTSISA-N 0 0 304.346 3.016 20 10 DGCDRN O=C1c2ccccc2[C@@H]2C[N@H+](Cc3cc(F)c(F)cc3[O-])C[C@H]12 ZINC001142509162 1087274816 /nfs/dbraw/zinc/27/48/16/1087274816.db2.gz ZBZFZVMESRIEHE-KBPBESRZSA-N 0 0 315.319 3.082 20 10 DGCDRN Oc1cc(F)c(F)cc1CN1CC(Oc2ccc(F)cc2)C1 ZINC001142527462 1087278095 /nfs/dbraw/zinc/27/80/95/1087278095.db2.gz VQZBACPNCLGUAZ-UHFFFAOYSA-N 0 0 309.287 3.073 20 10 DGCDRN C[C@@H](NC(=O)c1ncccc1C(F)(F)F)c1ccccc1O ZINC001151885873 1087810066 /nfs/dbraw/zinc/81/00/66/1087810066.db2.gz LKRAVAAPOMJDGN-SECBINFHSA-N 0 0 310.275 3.297 20 10 DGCDRN C[C@@H](NC(=O)Cn1ccc2ccc(F)cc21)c1ccccc1O ZINC001151885789 1087812795 /nfs/dbraw/zinc/81/27/95/1087812795.db2.gz HSAMHIZPMKUXIO-GFCCVEGCSA-N 0 0 312.344 3.363 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)c2ccccc2O)cc([N+](=O)[O-])c1 ZINC001151892743 1087813479 /nfs/dbraw/zinc/81/34/79/1087813479.db2.gz YMFRXLXNVUJSBV-NSHDSACASA-N 0 0 300.314 3.100 20 10 DGCDRN Cc1onc(-c2ccccn2)c1C(=O)N[C@@H](C)c1ccccc1O ZINC001151892735 1087816635 /nfs/dbraw/zinc/81/66/35/1087816635.db2.gz YBEAISYPUINWFS-NSHDSACASA-N 0 0 323.352 3.242 20 10 DGCDRN Cc1cccc2c(C(=O)N3CCc4cccc(O)c4C3)c[nH]c21 ZINC001151953832 1087841891 /nfs/dbraw/zinc/84/18/91/1087841891.db2.gz AALDQSJRBUDVPM-UHFFFAOYSA-N 0 0 306.365 3.380 20 10 DGCDRN COc1cccc(SCC(=O)N2Cc3cccc(O)c3C2)c1 ZINC001152566213 1088005037 /nfs/dbraw/zinc/00/50/37/1088005037.db2.gz USAJMKCCPNZNEQ-UHFFFAOYSA-N 0 0 315.394 3.035 20 10 DGCDRN Cc1ccc(C(F)(F)NCc2ccc(O)c(O)c2)nc1Cl ZINC001158995281 1088123355 /nfs/dbraw/zinc/12/33/55/1088123355.db2.gz BIZUZHRTCPQDRI-UHFFFAOYSA-N 0 0 314.719 3.294 20 10 DGCDRN CC(C)c1cc(C(=O)NCc2cccc(Cl)c2O)cc(=O)[nH]1 ZINC001159034613 1088153767 /nfs/dbraw/zinc/15/37/67/1088153767.db2.gz YNXZHOXTQISRLB-UHFFFAOYSA-N 0 0 320.776 3.200 20 10 DGCDRN Cc1cccnc1/C=C/C(=O)NCc1cccc(Cl)c1O ZINC001159041311 1088156017 /nfs/dbraw/zinc/15/60/17/1088156017.db2.gz HSNUUCBPMARBFF-BQYQJAHWSA-N 0 0 302.761 3.079 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)OCC2 ZINC001153358496 1088231319 /nfs/dbraw/zinc/23/13/19/1088231319.db2.gz FHNCBUQEDDFCFS-UHFFFAOYSA-N 0 0 324.424 3.350 20 10 DGCDRN Nc1ccc(Nc2ccc3ncc(Br)n3c2)cc1 ZINC001159227321 1088244082 /nfs/dbraw/zinc/24/40/82/1088244082.db2.gz IWQICOIRYPTPNG-UHFFFAOYSA-N 0 0 303.163 3.423 20 10 DGCDRN O=C(CNc1nc(Cl)ccc1Cl)c1ccc(O)c(O)c1 ZINC001159277267 1088264922 /nfs/dbraw/zinc/26/49/22/1088264922.db2.gz SIFIUCURJWLYIY-UHFFFAOYSA-N 0 0 313.140 3.094 20 10 DGCDRN CSc1cc(Cl)ncc1NCC(=O)c1ccc(O)c(O)c1 ZINC001159275844 1088266333 /nfs/dbraw/zinc/26/63/33/1088266333.db2.gz AZTLWZJCGMRVBJ-UHFFFAOYSA-N 0 0 324.789 3.163 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1cncc(-c2ccccc2)c1 ZINC001153798667 1088362388 /nfs/dbraw/zinc/36/23/88/1088362388.db2.gz VHVMPSBUSJFFMX-UHFFFAOYSA-N 0 0 320.348 3.090 20 10 DGCDRN Cn1c(C(=O)N2CCc3cccc(O)c3C2)cc2ccc(F)cc21 ZINC001153848392 1088384294 /nfs/dbraw/zinc/38/42/94/1088384294.db2.gz QTTUMMKPRVVURY-UHFFFAOYSA-N 0 0 324.355 3.222 20 10 DGCDRN C[C@H](CCc1ccccc1F)C(=O)NCc1cc(O)ccc1O ZINC001153884392 1088396635 /nfs/dbraw/zinc/39/66/35/1088396635.db2.gz DHNGEFSDWGIUEQ-GFCCVEGCSA-N 0 0 317.360 3.122 20 10 DGCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@H]2C[C@H]2F)cc1 ZINC001123826318 1088625486 /nfs/dbraw/zinc/62/54/86/1088625486.db2.gz PIDRCQZINHDUOW-QWHCGFSZSA-N 0 0 318.314 3.002 20 10 DGCDRN COC(=O)c1cccc(NCc2cc3ccccc3cc2O)n1 ZINC001160207799 1088697640 /nfs/dbraw/zinc/69/76/40/1088697640.db2.gz YTXGDUCFFPIWGD-UHFFFAOYSA-N 0 0 308.337 3.339 20 10 DGCDRN CN(C)C(=O)c1ccc(NCc2cc3ccccc3cc2O)nc1 ZINC001160206986 1088697768 /nfs/dbraw/zinc/69/77/68/1088697768.db2.gz PSMOJRQDPHEBOF-UHFFFAOYSA-N 0 0 321.380 3.254 20 10 DGCDRN CCOc1cc(C(=O)OC)c(Nc2ccc(N)cc2)cc1OC ZINC001160263963 1088731509 /nfs/dbraw/zinc/73/15/09/1088731509.db2.gz ONHWITSWFQTUDG-UHFFFAOYSA-N 0 0 316.357 3.206 20 10 DGCDRN CCN(Cc1ccccc1O)c1nc(Cl)nc2ncsc21 ZINC001154889146 1088813218 /nfs/dbraw/zinc/81/32/18/1088813218.db2.gz QJFDXCFTVSXSNW-UHFFFAOYSA-N 0 0 320.805 3.472 20 10 DGCDRN COC(=O)c1ccc2ncnc(NCc3cccc(C)c3O)c2c1 ZINC001160764746 1088947871 /nfs/dbraw/zinc/94/78/71/1088947871.db2.gz MLHVGMZTFXWCRB-UHFFFAOYSA-N 0 0 323.352 3.043 20 10 DGCDRN Cc1cccc(CNc2ccc(NC(=O)C(C)(C)C)nn2)c1O ZINC001160769089 1088950643 /nfs/dbraw/zinc/95/06/43/1088950643.db2.gz KFFHACCGLKQATP-UHFFFAOYSA-N 0 0 314.389 3.087 20 10 DGCDRN Cc1cccc(CNc2nnc(Cl)c3cccnc32)c1O ZINC001160769369 1088951384 /nfs/dbraw/zinc/95/13/84/1088951384.db2.gz MALBNUQFPXKGEQ-UHFFFAOYSA-N 0 0 300.749 3.304 20 10 DGCDRN COC(=O)c1cc(C)nc(NCc2c(C)cc(C)cc2O)c1 ZINC001160808398 1088972661 /nfs/dbraw/zinc/97/26/61/1088972661.db2.gz RIZIGCLLCGBPAO-UHFFFAOYSA-N 0 0 300.358 3.111 20 10 DGCDRN Cc1cc(C)c(CNC(F)(F)c2nccc(Cl)n2)c(O)c1 ZINC001160808640 1088974363 /nfs/dbraw/zinc/97/43/63/1088974363.db2.gz WIPXTTQFULGLNQ-UHFFFAOYSA-N 0 0 313.735 3.292 20 10 DGCDRN Cc1cc(C(C)C)nc(N2CCCc3cc(O)c(O)cc3C2)n1 ZINC001155948832 1089309059 /nfs/dbraw/zinc/30/90/59/1089309059.db2.gz WHLCDHOIUBIYJK-UHFFFAOYSA-N 0 0 313.401 3.272 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H](C)COCC2CCCCC2)c(O)c1O ZINC001156148183 1089407343 /nfs/dbraw/zinc/40/73/43/1089407343.db2.gz PVWWKBDENVPZFS-ZDUSSCGKSA-N 0 0 321.417 3.121 20 10 DGCDRN O=C(Nc1nc2ccccc2n1CC1CC1)c1cccc(O)c1O ZINC001161849328 1089440696 /nfs/dbraw/zinc/44/06/96/1089440696.db2.gz OMSYHSLTVWANHO-UHFFFAOYSA-N 0 0 323.352 3.110 20 10 DGCDRN CC(C)Oc1ccc(F)c(N(CCO)c2ccc(N)cc2)c1 ZINC001212312814 1089470210 /nfs/dbraw/zinc/47/02/10/1089470210.db2.gz SBBOAZSYOLUGBY-UHFFFAOYSA-N 0 0 304.365 3.326 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)C1(Sc2ccccc2)CC1 ZINC001162279242 1089653534 /nfs/dbraw/zinc/65/35/34/1089653534.db2.gz XANVZFUOAJDDBT-UHFFFAOYSA-N 0 0 315.394 3.039 20 10 DGCDRN C[C@H]1C[C@H]1c1ccc(CCC(=O)NCc2c(O)cccc2O)o1 ZINC001156880990 1089729514 /nfs/dbraw/zinc/72/95/14/1089729514.db2.gz KXXYHKQSDVTJHY-WCQYABFASA-N 0 0 315.369 3.063 20 10 DGCDRN CCc1ccc([C@H](C)CC(=O)NCc2c(O)cccc2O)cc1 ZINC001156881346 1089729932 /nfs/dbraw/zinc/72/99/32/1089729932.db2.gz ZOFIGCGPAZYJQC-CYBMUJFWSA-N 0 0 313.397 3.470 20 10 DGCDRN COc1cc(Cl)cc(N(C)Cc2ccc(N(C)C)cc2)n1 ZINC001156923879 1089746512 /nfs/dbraw/zinc/74/65/12/1089746512.db2.gz JEGVZBALVCQTFF-UHFFFAOYSA-N 0 0 305.809 3.446 20 10 DGCDRN C[C@@](O)(C(=O)NCc1c(O)ccc2ccccc21)c1ccccc1 ZINC001157041993 1089797491 /nfs/dbraw/zinc/79/74/91/1089797491.db2.gz RZTRVWXHNSQXQA-FQEVSTJZSA-N 0 0 321.376 3.069 20 10 DGCDRN C[C@@H](C(=O)NCc1c(O)ccc2ccccc21)c1ccccn1 ZINC001157041673 1089797577 /nfs/dbraw/zinc/79/75/77/1089797577.db2.gz KYKNGGXACPUODY-CYBMUJFWSA-N 0 0 306.365 3.360 20 10 DGCDRN COC[C@H](C)[C@@H](C)C(=O)NCc1c(O)ccc2ccccc21 ZINC001157041354 1089797592 /nfs/dbraw/zinc/79/75/92/1089797592.db2.gz FIVVHROBPWFLPO-QWHCGFSZSA-N 0 0 301.386 3.080 20 10 DGCDRN O=C1CN(Cc2cc(Cl)c(Cl)cc2O)CCC[C@@H]1F ZINC001236794118 1089884815 /nfs/dbraw/zinc/88/48/15/1089884815.db2.gz PWDXWVLJHHJHPN-NSHDSACASA-N 0 0 306.164 3.202 20 10 DGCDRN Cc1cc(Cl)c(C)nc1NCCc1cc(O)c(O)cc1O ZINC001157246161 1089889778 /nfs/dbraw/zinc/88/97/78/1089889778.db2.gz RKGZFFOCGWDRBO-UHFFFAOYSA-N 0 0 308.765 3.123 20 10 DGCDRN Oc1cc(O)c(CCNc2nccc3ccc(F)cc32)cc1O ZINC001157245700 1089890577 /nfs/dbraw/zinc/89/05/77/1089890577.db2.gz IXDNHMFEMDEFMS-UHFFFAOYSA-N 0 0 314.316 3.145 20 10 DGCDRN Oc1cc(O)c(CCNc2ccc3cc(F)ccc3n2)cc1O ZINC001157245476 1089890669 /nfs/dbraw/zinc/89/06/69/1089890669.db2.gz CHARGTWILNQZDU-UHFFFAOYSA-N 0 0 314.316 3.145 20 10 DGCDRN CC(C)(C)Oc1cccc(NCCc2cc(O)c(O)cc2O)n1 ZINC001157245793 1089891717 /nfs/dbraw/zinc/89/17/17/1089891717.db2.gz NKQITIVSHUAAPD-UHFFFAOYSA-N 0 0 318.373 3.030 20 10 DGCDRN Nc1ccc(CNc2ncccc2C(=O)NC2CCCCC2)cc1 ZINC001162783841 1089952607 /nfs/dbraw/zinc/95/26/07/1089952607.db2.gz AZBLHKWCRVMOTO-UHFFFAOYSA-N 0 0 324.428 3.338 20 10 DGCDRN Nc1ccc(CNC(F)(F)c2cc(Cl)ncc2F)cc1 ZINC001162785874 1089953847 /nfs/dbraw/zinc/95/38/47/1089953847.db2.gz MUHIQKJAAOCYNU-UHFFFAOYSA-N 0 0 301.699 3.295 20 10 DGCDRN Nc1ccc(CNC(F)(F)c2nc(Cl)cc(Cl)n2)cc1 ZINC001162784746 1089954926 /nfs/dbraw/zinc/95/49/26/1089954926.db2.gz VOGZZWPVCYYDNP-UHFFFAOYSA-N 0 0 319.142 3.205 20 10 DGCDRN COc1ccccc1-c1ccnc(NCc2ccc(N)cc2)n1 ZINC001162788058 1089957184 /nfs/dbraw/zinc/95/71/84/1089957184.db2.gz XZFFEMUWGIRTHU-UHFFFAOYSA-N 0 0 306.369 3.347 20 10 DGCDRN COc1ccc(N(C)CCN(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001163656659 1090224738 /nfs/dbraw/zinc/22/47/38/1090224738.db2.gz KKBMWPHBTXPCFV-UHFFFAOYSA-N 0 0 315.373 3.176 20 10 DGCDRN CCOC(=O)CN(Cc1c(O)ccc(Cl)c1Cl)C1CC1 ZINC001237083430 1090284593 /nfs/dbraw/zinc/28/45/93/1090284593.db2.gz AAJGYXMQALQEPD-UHFFFAOYSA-N 0 0 318.200 3.227 20 10 DGCDRN COC(=O)c1sc(N[C@@H](C)c2ccccc2O)nc1Cl ZINC001163935740 1090292087 /nfs/dbraw/zinc/29/20/87/1090292087.db2.gz GBJPFMLMDSVXCZ-ZETCQYMHSA-N 0 0 312.778 3.462 20 10 DGCDRN O=[N+]([O-])c1cccc2c1ccnc2NCc1c(O)cccc1O ZINC001164212414 1090373297 /nfs/dbraw/zinc/37/32/97/1090373297.db2.gz PLUGSHWQMYUNFS-UHFFFAOYSA-N 0 0 311.297 3.166 20 10 DGCDRN CCN(CC)c1ccc(-c2noc(-c3csnn3)n2)cc1 ZINC001212362452 1090575919 /nfs/dbraw/zinc/57/59/19/1090575919.db2.gz VLFRARQDSCQSBH-UHFFFAOYSA-N 0 0 301.375 3.101 20 10 DGCDRN COc1ccc2c(cccc2-c2noc(-c3csnn3)n2)c1 ZINC001212362702 1090575986 /nfs/dbraw/zinc/57/59/86/1090575986.db2.gz XMBXMKNGNULHQV-UHFFFAOYSA-N 0 0 310.338 3.417 20 10 DGCDRN Cc1cc(C(=O)NCCc2ccoc2)c(C)n1-c1ccccn1 ZINC001166892587 1090673769 /nfs/dbraw/zinc/67/37/69/1090673769.db2.gz RVRYXIHDJHSVMV-UHFFFAOYSA-N 0 0 309.369 3.055 20 10 DGCDRN CC[N@H+](CCCC(=O)OC)Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203574263 1090759639 /nfs/dbraw/zinc/75/96/39/1090759639.db2.gz RRCJZFMXURNZIB-UHFFFAOYSA-N 0 0 320.216 3.474 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@](F)(CO)CC1 ZINC001203574349 1090759949 /nfs/dbraw/zinc/75/99/49/1090759949.db2.gz TWTXAICCUALLJK-AWEZNQCLSA-N 0 0 322.207 3.386 20 10 DGCDRN COc1ccc(CN2Cc3cnn(-c4ccccc4)c3C2)c(O)c1 ZINC001203634868 1090770391 /nfs/dbraw/zinc/77/03/91/1090770391.db2.gz YWZTZALOSQREGR-UHFFFAOYSA-N 0 0 321.380 3.102 20 10 DGCDRN CCN(CC)c1ccc(CN2CC(F)(F)CC[C@H]2CO)cc1 ZINC001203936783 1090843780 /nfs/dbraw/zinc/84/37/80/1090843780.db2.gz NJOAMDHCSMZISH-INIZCTEOSA-N 0 0 312.404 3.125 20 10 DGCDRN CCOC(=O)c1coc2c1CN(Cc1ccc(N(C)C)cc1)C2 ZINC001203937774 1090844250 /nfs/dbraw/zinc/84/42/50/1090844250.db2.gz QYZYVXVZWWWAST-UHFFFAOYSA-N 0 0 314.385 3.038 20 10 DGCDRN COc1ccc(N2CCN(Cc3cccs3)CC2)c(OC)c1 ZINC001204016391 1090869949 /nfs/dbraw/zinc/86/99/49/1090869949.db2.gz DLTWYDVSAWKUJU-UHFFFAOYSA-N 0 0 318.442 3.088 20 10 DGCDRN COCC[N@H+](Cc1cc(Br)cc(F)c1[O-])C(C)C ZINC000715725440 1090900793 /nfs/dbraw/zinc/90/07/93/1090900793.db2.gz OHMXWDDWAGRXCM-UHFFFAOYSA-N 0 0 320.202 3.151 20 10 DGCDRN CN(C)c1ccc(CN2CCC[C@@H](F)C(=O)C2)c2ccccc21 ZINC001204234178 1090931690 /nfs/dbraw/zinc/93/16/90/1090931690.db2.gz XUMOZXUOJRQPLL-QGZVFWFLSA-N 0 0 314.404 3.409 20 10 DGCDRN COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1cc(F)c(F)cc1[O-])C2 ZINC001204960460 1091073051 /nfs/dbraw/zinc/07/30/51/1091073051.db2.gz AQXHLCUILLYPMU-CQSZACIVSA-N 0 0 319.351 3.326 20 10 DGCDRN C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1cc2ccccc2o1 ZINC001138256042 1091126064 /nfs/dbraw/zinc/12/60/64/1091126064.db2.gz DTAXARYIOIKAFM-NSHDSACASA-N 0 0 311.337 3.264 20 10 DGCDRN Cc1c(CN2CC(F)(F)C[C@]2(C)CO)c2ccccc2n1C ZINC001138252293 1091126499 /nfs/dbraw/zinc/12/64/99/1091126499.db2.gz ATKSYKBFDVIPDE-MRXNPFEDSA-N 0 0 308.372 3.079 20 10 DGCDRN Oc1c(CN2Cc3ccncc3C2)cc2c3c1CCCN3CCC2 ZINC001138336492 1091145721 /nfs/dbraw/zinc/14/57/21/1091145721.db2.gz BERKUBXRAOXNDX-UHFFFAOYSA-N 0 0 321.424 3.002 20 10 DGCDRN CN1CCCc2cc(CN3CC[C@@H](CF)C(F)(F)C3)ccc21 ZINC001138354244 1091149806 /nfs/dbraw/zinc/14/98/06/1091149806.db2.gz BYECAFZCIBBWJN-HNNXBMFYSA-N 0 0 312.379 3.496 20 10 DGCDRN CCN(CC)c1ccc(CN2CCOC[C@H]2C2CC2)c(OC)c1 ZINC001138391907 1091165648 /nfs/dbraw/zinc/16/56/48/1091165648.db2.gz IOQFTGGEMBGFPL-SFHVURJKSA-N 0 0 318.461 3.152 20 10 DGCDRN CCN(CC)c1ccc(CN2CCOC[C@@H]2C2CC2)c(OC)c1 ZINC001138391906 1091166368 /nfs/dbraw/zinc/16/63/68/1091166368.db2.gz IOQFTGGEMBGFPL-GOSISDBHSA-N 0 0 318.461 3.152 20 10 DGCDRN CCC[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(O)c(O)c1 ZINC001292782068 1091179250 /nfs/dbraw/zinc/17/92/50/1091179250.db2.gz SCZNEBABQZKZNX-INIZCTEOSA-N 0 0 313.397 3.168 20 10 DGCDRN Cc1nn(C)c2cc(NC(=O)N[C@H](C)c3ccccc3O)ccc12 ZINC001205465069 1091228235 /nfs/dbraw/zinc/22/82/35/1091228235.db2.gz AZHXQYAAZDFHHT-LLVKDONJSA-N 0 0 324.384 3.470 20 10 DGCDRN Cc1cc(NC(=O)N[C@H](C)c2ccccc2O)cn2ccnc12 ZINC001205708892 1091317777 /nfs/dbraw/zinc/31/77/77/1091317777.db2.gz YUKBBTWWJLWMAP-GFCCVEGCSA-N 0 0 310.357 3.231 20 10 DGCDRN CN(Cc1cc2n(n1)CCCC2)Cc1ccc(N2CCCC2)cc1 ZINC001205708509 1091318742 /nfs/dbraw/zinc/31/87/42/1091318742.db2.gz BNKMGWZPHNZQBR-UHFFFAOYSA-N 0 0 324.472 3.452 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1cc(F)cnc1Cl)CCC2 ZINC001138896051 1091371429 /nfs/dbraw/zinc/37/14/29/1091371429.db2.gz QCBKRDFIRCOREI-UHFFFAOYSA-N 0 0 322.767 3.234 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCCC[C@@H](C)C1 ZINC001139126242 1091456264 /nfs/dbraw/zinc/45/62/64/1091456264.db2.gz CKDPCBOKYUEXDU-GFCCVEGCSA-N 0 0 301.386 3.429 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(NC)cn1 ZINC001139124093 1091456519 /nfs/dbraw/zinc/45/65/19/1091456519.db2.gz OWVHTUPCFNSBEX-UHFFFAOYSA-N 0 0 313.401 3.271 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001139129534 1091459148 /nfs/dbraw/zinc/45/91/48/1091459148.db2.gz ALEGHRLJYHKNHQ-TXEJJXNPSA-N 0 0 301.386 3.285 20 10 DGCDRN C[C@@H](NC(=O)NC(C)(C)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC001119449167 1091515668 /nfs/dbraw/zinc/51/56/68/1091515668.db2.gz YRSUUIDKSGLNQZ-SNVBAGLBSA-N 0 0 317.355 3.454 20 10 DGCDRN Cc1ccc(C2=CCN(C(=O)C3=CC(=O)CS3)CC2)cn1 ZINC001295664020 1091614082 /nfs/dbraw/zinc/61/40/82/1091614082.db2.gz BNONTKQCGQAZHN-UHFFFAOYSA-N 0 0 300.383 3.087 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC/C=C/c2ccccc2)cc1 ZINC001295767579 1091632972 /nfs/dbraw/zinc/63/29/72/1091632972.db2.gz LWQBHDZRJNCEDP-AFQGZZBRSA-N 0 0 308.341 3.292 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1ccnc(Cl)c1F)CCC2 ZINC001139665623 1091637377 /nfs/dbraw/zinc/63/73/77/1091637377.db2.gz YLAVMEJXZJLGLA-UHFFFAOYSA-N 0 0 322.767 3.234 20 10 DGCDRN [O-]c1c(F)ccc(F)c1C[NH+]1CCC(Oc2ccccn2)CC1 ZINC001139682667 1091641272 /nfs/dbraw/zinc/64/12/72/1091641272.db2.gz AQBWUSCCOLVVPF-UHFFFAOYSA-N 0 0 320.339 3.109 20 10 DGCDRN COc1ccc2c(c1)C[N@@H+](Cc1c(F)ccc(F)c1[O-])CC2 ZINC001139685628 1091641554 /nfs/dbraw/zinc/64/15/54/1091641554.db2.gz QKSJMILFSYNOEQ-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN [O-]c1c(F)ccc(F)c1C[NH+]1CCC(c2cccnc2)CC1 ZINC001139686351 1091643343 /nfs/dbraw/zinc/64/33/43/1091643343.db2.gz VMHXPHJCTLLKGN-UHFFFAOYSA-N 0 0 304.340 3.445 20 10 DGCDRN COc1ccc(N(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC001206552047 1091667226 /nfs/dbraw/zinc/66/72/26/1091667226.db2.gz FTXSBSSJMPVOLW-UHFFFAOYSA-N 0 0 313.313 3.381 20 10 DGCDRN CCOc1ccc(N2CCN(Cc3ncc(C)s3)CC2)cc1 ZINC001139812169 1091676297 /nfs/dbraw/zinc/67/62/97/1091676297.db2.gz KVTYKNCJANFIAR-UHFFFAOYSA-N 0 0 317.458 3.172 20 10 DGCDRN O=c1cc[nH]c2cc(C[NH2+]Cc3cccc(Cl)c3[O-])ccc12 ZINC001206589512 1091681706 /nfs/dbraw/zinc/68/17/06/1091681706.db2.gz GDTDFLQBDCPGJG-UHFFFAOYSA-N 0 0 314.772 3.177 20 10 DGCDRN CC[N@H+](Cc1c[nH]c2ncnc(Cl)c12)Cc1ccccc1O ZINC001139937754 1091719002 /nfs/dbraw/zinc/71/90/02/1091719002.db2.gz AATYJSMQUNIXBJ-UHFFFAOYSA-N 0 0 316.792 3.291 20 10 DGCDRN CCCCOC1CN(Cc2c(O)cccc2Br)C1 ZINC001140101212 1091768901 /nfs/dbraw/zinc/76/89/01/1091768901.db2.gz NHXLPZPXLXAARV-UHFFFAOYSA-N 0 0 314.223 3.156 20 10 DGCDRN Oc1cccc(O)c1CNc1ncc(Br)cc1F ZINC001307215165 1091780846 /nfs/dbraw/zinc/78/08/46/1091780846.db2.gz CWMRCZZPZPCBSD-UHFFFAOYSA-N 0 0 313.126 3.007 20 10 DGCDRN CCOC(=O)[C@@]1(C)CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001140342117 1091835631 /nfs/dbraw/zinc/83/56/31/1091835631.db2.gz VYJUTPKQVAKKEU-INIZCTEOSA-N 0 0 311.809 3.211 20 10 DGCDRN COc1ccc(N2CCN(Cc3cncc(C)c3)CC2)c(C)c1 ZINC001207162269 1091872185 /nfs/dbraw/zinc/87/21/85/1091872185.db2.gz WEOGNNNODIHPOU-UHFFFAOYSA-N 0 0 311.429 3.029 20 10 DGCDRN CCOC(=O)[C@H]1C[C@H](C)CCN1Cc1ccc(Cl)cc1O ZINC001140465841 1091877990 /nfs/dbraw/zinc/87/79/90/1091877990.db2.gz RTLUVMQJVFELMS-BXUZGUMPSA-N 0 0 311.809 3.209 20 10 DGCDRN Oc1cc(Cl)ccc1C[NH+]1CCC(Oc2ccccn2)CC1 ZINC001140467588 1091878876 /nfs/dbraw/zinc/87/88/76/1091878876.db2.gz YQKDZGFURVTTIN-UHFFFAOYSA-N 0 0 318.804 3.484 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1Cc2ccccc2NC(=O)[C@H]1C ZINC001207196122 1091882713 /nfs/dbraw/zinc/88/27/13/1091882713.db2.gz GXPCPSTXVTYGCT-OAHLLOKOSA-N 0 0 323.440 3.404 20 10 DGCDRN COc1cccc(CC[N@H+](C)Cc2c([O-])cc(F)cc2F)c1 ZINC001140583546 1091919903 /nfs/dbraw/zinc/91/99/03/1091919903.db2.gz KQQGHJQXOJTKKE-UHFFFAOYSA-N 0 0 307.340 3.354 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)CCCC(F)(F)F ZINC001297562910 1091919976 /nfs/dbraw/zinc/91/99/76/1091919976.db2.gz SERFKCOVPZXZMB-UHFFFAOYSA-N 0 0 310.312 3.227 20 10 DGCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001140583106 1091919949 /nfs/dbraw/zinc/91/99/49/1091919949.db2.gz WGRJUOUEHGHSSI-LBPRGKRZSA-N 0 0 313.241 3.394 20 10 DGCDRN COc1cc(F)c(CN2CCc3cccc(O)c3C2)c(F)c1 ZINC001140828435 1092020970 /nfs/dbraw/zinc/02/09/70/1092020970.db2.gz UKRSGOIERNRFIY-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN CCN(CC)c1ccc(CN2CC(F)(F)C[C@H]2CF)c(O)c1 ZINC001140850509 1092028941 /nfs/dbraw/zinc/02/89/41/1092028941.db2.gz NLQOZLIYSZTBMO-AWEZNQCLSA-N 0 0 316.367 3.418 20 10 DGCDRN CN(C)c1nccc2cc(NC(=O)C3=CC(=O)CS3)ccc21 ZINC001298099505 1092031370 /nfs/dbraw/zinc/03/13/70/1092031370.db2.gz QRACPUCCHHUZJT-UHFFFAOYSA-N 0 0 313.382 3.320 20 10 DGCDRN CN(C)c1ccc(CN2CC(c3cccnc3)C2)c(Cl)c1 ZINC001140926039 1092067784 /nfs/dbraw/zinc/06/77/84/1092067784.db2.gz YCPBWNWHNBPLBQ-UHFFFAOYSA-N 0 0 301.821 3.400 20 10 DGCDRN COc1cc(O)c(CN2Cc3ccc(F)cc3C2)c(OC)c1 ZINC001141028072 1092110784 /nfs/dbraw/zinc/11/07/84/1092110784.db2.gz AEAMLYCXNJTCIH-UHFFFAOYSA-N 0 0 303.333 3.064 20 10 DGCDRN Cc1cc([C@H]2CCCN2Cc2ccc3c(c2)OCCN3C)no1 ZINC001141140045 1092149237 /nfs/dbraw/zinc/14/92/37/1092149237.db2.gz HHTCKDMXMKWBKF-MRXNPFEDSA-N 0 0 313.401 3.149 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C2CC2)C2COC2)cc1 ZINC001141369855 1092221171 /nfs/dbraw/zinc/22/11/71/1092221171.db2.gz QLOGPFKRTHVUMI-UHFFFAOYSA-N 0 0 310.397 3.098 20 10 DGCDRN CN(C)c1ccc(CN(C)Cc2ccc(C(F)(F)F)nn2)cc1 ZINC001141500211 1092259353 /nfs/dbraw/zinc/25/93/53/1092259353.db2.gz CTZCCIXUXVKNJI-UHFFFAOYSA-N 0 0 324.350 3.193 20 10 DGCDRN CCNc1cccnc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001141537836 1092271193 /nfs/dbraw/zinc/27/11/93/1092271193.db2.gz CZHKLLQVFNDZCC-UHFFFAOYSA-N 0 0 324.428 3.044 20 10 DGCDRN Cc1cc(CC(=O)Nc2c(C)[nH][nH]c2=O)c(C)n1-c1ccccc1 ZINC001141578066 1092280385 /nfs/dbraw/zinc/28/03/85/1092280385.db2.gz DVGRBSQIBGSCOM-UHFFFAOYSA-N 0 0 324.384 3.012 20 10 DGCDRN C[C@@H]1C[C@H](CN2CCOc3cc(N(C)C)ccc32)C[C@H](C)O1 ZINC001168858528 1092402591 /nfs/dbraw/zinc/40/25/91/1092402591.db2.gz COCYIFJSDNDUMQ-FICVDOATSA-N 0 0 304.434 3.155 20 10 DGCDRN CC(=O)C(=O)Nc1ccc(/C=C/c2ccc(N(C)C)cc2)cc1 ZINC001142699854 1092533471 /nfs/dbraw/zinc/53/34/71/1092533471.db2.gz UUULPJWCSAKBER-SNAWJCMRSA-N 0 0 308.381 3.451 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)c1ccoc1Cl ZINC001142728480 1092539333 /nfs/dbraw/zinc/53/93/33/1092539333.db2.gz UZEFZVDQWQSZSM-UHFFFAOYSA-N 0 0 302.717 3.117 20 10 DGCDRN CC(C)(C)c1cccc(CN2CC3(C2)CC(F)(F)CO3)c1O ZINC001143111556 1092616421 /nfs/dbraw/zinc/61/64/21/1092616421.db2.gz CPGXITHURLGVDZ-UHFFFAOYSA-N 0 0 311.372 3.300 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NCc2cccc(F)c2F)cc1 ZINC001169260042 1092622029 /nfs/dbraw/zinc/62/20/29/1092622029.db2.gz AGYFYXBTZUQGDO-UHFFFAOYSA-N 0 0 318.283 3.057 20 10 DGCDRN COC(=O)c1ccc2[nH]cc(C[N@H+](C)Cc3ccccc3O)c2c1 ZINC001143239367 1092639918 /nfs/dbraw/zinc/63/99/18/1092639918.db2.gz QCVNSNFDKVMUAZ-UHFFFAOYSA-N 0 0 324.380 3.292 20 10 DGCDRN COc1ccc2cc(C(=O)NCc3c(C)cc(C)cc3O)[nH]c2c1 ZINC001149576261 1092711061 /nfs/dbraw/zinc/71/10/61/1092711061.db2.gz NOGXNKXTRPRUII-UHFFFAOYSA-N 0 0 324.380 3.429 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc2c[nH]ccc-2n1 ZINC001149880698 1092739636 /nfs/dbraw/zinc/73/96/36/1092739636.db2.gz PQPLWEIEXSLEER-UHFFFAOYSA-N 0 0 309.369 3.321 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(CN2CCc3nn(C)cc3C2)cc1 ZINC001209517421 1092805179 /nfs/dbraw/zinc/80/51/79/1092805179.db2.gz GVLLSNDPGSRTPT-UHFFFAOYSA-N 0 0 320.440 3.386 20 10 DGCDRN Cc1nc2c(C)cccn2c1C(=O)NCc1c(C)cc(C)cc1O ZINC001151227584 1092876326 /nfs/dbraw/zinc/87/63/26/1092876326.db2.gz SETSVBNVAWTIAU-UHFFFAOYSA-N 0 0 323.396 3.204 20 10 DGCDRN Cc1ccc(C(=O)N2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)c(O)c1O ZINC001151562310 1092922021 /nfs/dbraw/zinc/92/20/21/1092922021.db2.gz ZYXOKHBNDXKJLG-OIISXLGYSA-N 0 0 323.392 3.282 20 10 DGCDRN COC(=O)c1cccc(Nc2ccc3c(c2)OCCN3)c1F ZINC001209789292 1092923574 /nfs/dbraw/zinc/92/35/74/1092923574.db2.gz XIHNGVQPXRQMOA-UHFFFAOYSA-N 0 0 302.305 3.160 20 10 DGCDRN O=c1ccccn1-c1ccc(Nc2ccc3c(c2)OCCN3)cc1 ZINC001209788227 1092923642 /nfs/dbraw/zinc/92/36/42/1092923642.db2.gz JRGLIOXYLNRQSM-UHFFFAOYSA-N 0 0 319.364 3.385 20 10 DGCDRN COC(=O)[C@@H]1CCc2cc(Nc3ccc4c(c3)OCCN4)ccc21 ZINC001209792279 1092925612 /nfs/dbraw/zinc/92/56/12/1092925612.db2.gz LOVBMXMKYTWNMM-MRXNPFEDSA-N 0 0 324.380 3.437 20 10 DGCDRN Nc1ccc(OCCOc2ccc(Nc3ccnnc3)cc2)cc1 ZINC001209960537 1092994817 /nfs/dbraw/zinc/99/48/17/1092994817.db2.gz QCYBEBBMZDYWGA-UHFFFAOYSA-N 0 0 322.368 3.260 20 10 DGCDRN O=C(c1ccccn1)c1cc(Cl)ccc1Nc1ccnnc1 ZINC001209963193 1092995662 /nfs/dbraw/zinc/99/56/62/1092995662.db2.gz MWUYNGZQOYMZTC-UHFFFAOYSA-N 0 0 310.744 3.500 20 10 DGCDRN Cc1ccc2c(c1Nc1ccnnc1)C(=O)c1ccccc1C2=O ZINC001209961314 1092996426 /nfs/dbraw/zinc/99/64/26/1092996426.db2.gz OSYNSYIHFCYJIE-UHFFFAOYSA-N 0 0 315.332 3.304 20 10 DGCDRN Cc1cc(NC(=O)N(C)Cc2ccccc2O)cc([N+](=O)[O-])c1 ZINC001210569343 1093213463 /nfs/dbraw/zinc/21/34/63/1093213463.db2.gz XNFNIGUDNIKBDZ-UHFFFAOYSA-N 0 0 315.329 3.273 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCc2ccccc2Cl)c1 ZINC001211089468 1093375299 /nfs/dbraw/zinc/37/52/99/1093375299.db2.gz PEJNBIQSDWWFSX-UHFFFAOYSA-N 0 0 304.777 3.353 20 10 DGCDRN CC(C)COc1cccc(N(CCO)c2ccc(N)cc2)c1 ZINC001213640438 1093632721 /nfs/dbraw/zinc/63/27/21/1093632721.db2.gz ZHBUGNGKFXQLDC-UHFFFAOYSA-N 0 0 300.402 3.434 20 10 DGCDRN Oc1cc(OC(F)(F)F)ccc1Nc1ccnc2cccnc21 ZINC001214387443 1093764736 /nfs/dbraw/zinc/76/47/36/1093764736.db2.gz CHTOOZWSRWZPEM-UHFFFAOYSA-N 0 0 321.258 3.400 20 10 DGCDRN CCOC(=O)c1ccc(Nc2cccc(O)c2O)c(OC)c1 ZINC001214544184 1093795065 /nfs/dbraw/zinc/79/50/65/1093795065.db2.gz CUXMBCDDCJKRMV-UHFFFAOYSA-N 0 0 303.314 3.027 20 10 DGCDRN Oc1cccc(-c2nc(-c3ccccc3-n3ccnc3)no2)c1O ZINC001215145860 1093926853 /nfs/dbraw/zinc/92/68/53/1093926853.db2.gz NLCMMDGMFJYPAR-UHFFFAOYSA-N 0 0 320.308 3.001 20 10 DGCDRN Cc1cc(F)c(F)c(-c2noc(-c3cccc(O)c3O)n2)c1 ZINC001215145717 1093927061 /nfs/dbraw/zinc/92/70/61/1093927061.db2.gz DZNURXXRSLRMMG-UHFFFAOYSA-N 0 0 304.252 3.401 20 10 DGCDRN COc1ccc(-c2noc(-c3ccc(O)c(O)c3)n2)cc1Cl ZINC001215304634 1093955981 /nfs/dbraw/zinc/95/59/81/1093955981.db2.gz WNTBORLSKBAVGQ-UHFFFAOYSA-N 0 0 318.716 3.477 20 10 DGCDRN O=C1CCCc2ccc(-c3noc(-c4ccc(O)c(O)c4)n3)cc21 ZINC001215304337 1093956156 /nfs/dbraw/zinc/95/61/56/1093956156.db2.gz KYVXSMVCCPRMNS-UHFFFAOYSA-N 0 0 322.320 3.334 20 10 DGCDRN Cc1ccc(-c2noc(-c3cc(O)c(O)c(O)c3)n2)c(Cl)c1 ZINC001215327562 1093961558 /nfs/dbraw/zinc/96/15/58/1093961558.db2.gz IHXLNYXGHPNQFD-UHFFFAOYSA-N 0 0 318.716 3.482 20 10 DGCDRN Cc1c(F)ccc(-c2noc(-c3cc(O)c(O)c(O)c3)n2)c1F ZINC001215327492 1093961777 /nfs/dbraw/zinc/96/17/77/1093961777.db2.gz DGFSSIIUCXDKBO-UHFFFAOYSA-N 0 0 320.251 3.107 20 10 DGCDRN CCCOc1ccc(C)c(N(CCO)c2ccc(N)cc2)c1 ZINC001215585946 1094008343 /nfs/dbraw/zinc/00/83/43/1094008343.db2.gz YYPNWERXMWSINQ-UHFFFAOYSA-N 0 0 300.402 3.496 20 10 DGCDRN COc1cc(F)cc(NC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001215890065 1094081777 /nfs/dbraw/zinc/08/17/77/1094081777.db2.gz AMVTYDKOONACCC-JTQLQIEISA-N 0 0 304.321 3.423 20 10 DGCDRN CC[C@H]1COC(C)(C)CN1Cc1cc(F)cc(C(C)=O)c1O ZINC000403832689 1094187507 /nfs/dbraw/zinc/18/75/07/1094187507.db2.gz NTOOTRJVJUETAP-AWEZNQCLSA-N 0 0 309.381 3.123 20 10 DGCDRN COc1cc(-c2nc(-c3cc(C)cc(F)c3)no2)cc(O)c1O ZINC001216944320 1094282687 /nfs/dbraw/zinc/28/26/87/1094282687.db2.gz NLGFDLRLSLVIIE-UHFFFAOYSA-N 0 0 316.288 3.271 20 10 DGCDRN COc1cc(-c2nc(-c3cccc(C)c3F)no2)cc(O)c1O ZINC001216944769 1094282989 /nfs/dbraw/zinc/28/29/89/1094282989.db2.gz VXXQLALOYBQPQP-UHFFFAOYSA-N 0 0 316.288 3.271 20 10 DGCDRN CCCOc1ccc(CNCc2nc(C(F)F)no2)cc1C ZINC001120060066 1094366770 /nfs/dbraw/zinc/36/67/70/1094366770.db2.gz VXGUGBCURANVSY-UHFFFAOYSA-N 0 0 311.332 3.394 20 10 DGCDRN Oc1cc2cc(-c3nc(-c4ccc(F)cc4)no3)[nH]c2cc1O ZINC001217471520 1094419197 /nfs/dbraw/zinc/41/91/97/1094419197.db2.gz MSQLRBAIXGPZNS-UHFFFAOYSA-N 0 0 311.272 3.435 20 10 DGCDRN CSCC[C@H](N)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217697437 1094474509 /nfs/dbraw/zinc/47/45/09/1094474509.db2.gz KULVOWRANJCXFM-AWEZNQCLSA-N 0 0 314.414 3.280 20 10 DGCDRN N[C@@H](CC(F)(F)F)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217742664 1094488920 /nfs/dbraw/zinc/48/89/20/1094488920.db2.gz MIXBTKNWGKZASE-LBPRGKRZSA-N 0 0 322.290 3.480 20 10 DGCDRN Cc1ccc(F)c(N)c1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001135690278 1094636237 /nfs/dbraw/zinc/63/62/37/1094636237.db2.gz SOOYHPDGLUNIBX-UHFFFAOYSA-N 0 0 315.392 3.055 20 10 DGCDRN CN(Cc1ccccc1O)c1nnc(CSC(C)(C)C)n1C ZINC001121321629 1094661580 /nfs/dbraw/zinc/66/15/80/1094661580.db2.gz CQZAYWHSDOOMTA-UHFFFAOYSA-N 0 0 320.462 3.189 20 10 DGCDRN COC(=O)[C@H](CCO)Oc1ccc(/N=N/c2ccccc2)cc1 ZINC001218218812 1094665108 /nfs/dbraw/zinc/66/51/08/1094665108.db2.gz FWDYZVQLEODSSX-RUNIHZNKSA-N 0 0 314.341 3.405 20 10 DGCDRN CCNc1ccc(C)cc1C(=O)NCc1ccc(N(C)C)cc1 ZINC001135825030 1094696016 /nfs/dbraw/zinc/69/60/16/1094696016.db2.gz CHUAWTMXCOKHEK-UHFFFAOYSA-N 0 0 311.429 3.423 20 10 DGCDRN CC[C@H](O)[C@@H](C)C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001170857006 1094710930 /nfs/dbraw/zinc/71/09/30/1094710930.db2.gz FEFDXQNJNVTJHR-KDOFPFPSSA-N 0 0 314.429 3.117 20 10 DGCDRN Cc1cc(CNC(=O)c2cccc(=O)[nH]2)c(C)n1-c1ccccc1 ZINC001170857073 1094711970 /nfs/dbraw/zinc/71/19/70/1094711970.db2.gz GFXWOEYSNLMPIY-UHFFFAOYSA-N 0 0 321.380 3.125 20 10 DGCDRN CCS[C@H]1CCC[C@H](NC(=O)NCc2ccc(N)cc2)C1 ZINC001336847788 1094758371 /nfs/dbraw/zinc/75/83/71/1094758371.db2.gz HWAQAYZFRDCRIH-GJZGRUSLSA-N 0 0 307.463 3.132 20 10 DGCDRN CCS[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N)cc2)C1 ZINC001336847790 1094758764 /nfs/dbraw/zinc/75/87/64/1094758764.db2.gz HWAQAYZFRDCRIH-LSDHHAIUSA-N 0 0 307.463 3.132 20 10 DGCDRN c1coc([C@@H]2CN(Cc3ccc(N4CCCC4)cc3)CCO2)c1 ZINC001337042237 1094828905 /nfs/dbraw/zinc/82/89/05/1094828905.db2.gz IEPIHXQQRWOQGD-IBGZPJMESA-N 0 0 312.413 3.453 20 10 DGCDRN CCN(CC)c1nnc(C2Sc3ncccc3C2=O)n1CC ZINC001121957480 1094845637 /nfs/dbraw/zinc/84/56/37/1094845637.db2.gz WZJWKYSGQBAIPN-UHFFFAOYSA-N 0 0 317.418 3.127 20 10 DGCDRN COc1ccc(CNC(=O)Nc2ccc(F)c(F)c2C)c(O)c1 ZINC001219097769 1094940334 /nfs/dbraw/zinc/94/03/34/1094940334.db2.gz JTSJIKQLQWLKPF-UHFFFAOYSA-N 0 0 322.311 3.309 20 10 DGCDRN C[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@@H]2CCCC[C@H]12 ZINC001136200042 1094942974 /nfs/dbraw/zinc/94/29/74/1094942974.db2.gz OYTOETMEQXMUFH-BPLDGKMQSA-N 0 0 303.402 3.068 20 10 DGCDRN Cc1ncsc1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001136713884 1095133074 /nfs/dbraw/zinc/13/30/74/1095133074.db2.gz UZRZXDHVCXTJLI-UHFFFAOYSA-N 0 0 320.395 3.007 20 10 DGCDRN O=C(NCc1ccccc1F)NCc1cccc(Cl)c1O ZINC001220682267 1095137922 /nfs/dbraw/zinc/13/79/22/1095137922.db2.gz SZYDLWGIVOKMBT-UHFFFAOYSA-N 0 0 308.740 3.184 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1[C@H](C)[C@@H]1OCC ZINC001626159943 1095199079 /nfs/dbraw/zinc/19/90/79/1095199079.db2.gz DBWJOTPNSMGGSQ-XKQJLSEDSA-N 0 0 305.418 3.192 20 10 DGCDRN O=C(NCCc1cccs1)NCc1cccc(Cl)c1O ZINC001221102945 1095201338 /nfs/dbraw/zinc/20/13/38/1095201338.db2.gz KQYHGJGLTAFTLX-UHFFFAOYSA-N 0 0 310.806 3.149 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N3CCC=C(Cl)C3)ccc21 ZINC001221511892 1095289464 /nfs/dbraw/zinc/28/94/64/1095289464.db2.gz MEAJKQGKFPOBOG-UHFFFAOYSA-N 0 0 319.836 3.107 20 10 DGCDRN Cn1c(C2SC=CC2=O)nnc1N1CC[C@H]2CCCC[C@@H]2C1 ZINC001338750261 1095379611 /nfs/dbraw/zinc/37/96/11/1095379611.db2.gz LOIKOGKSGROCIL-VXGBXAGGSA-N 0 0 318.446 3.266 20 10 DGCDRN CO[C@H]1CC[C@H](NC(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC001338846953 1095410412 /nfs/dbraw/zinc/41/04/12/1095410412.db2.gz WSCARBZEQGEBFG-KBPBESRZSA-N 0 0 318.442 3.453 20 10 DGCDRN C/C(=C\C1CCC(C)CC1)C(=O)NCc1cccc(O)c1O ZINC001123890441 1095473520 /nfs/dbraw/zinc/47/35/20/1095473520.db2.gz YSGWNSVDYVZXSO-JLHYYAGUSA-N 0 0 303.402 3.487 20 10 DGCDRN CC(C)(Cc1ccc(O)cc1)C(=O)N1Cc2cccc(O)c2C1 ZINC001339116023 1095502810 /nfs/dbraw/zinc/50/28/10/1095502810.db2.gz LKNADPFRFMAFQR-UHFFFAOYSA-N 0 0 311.381 3.209 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1CN1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222277371 1095526697 /nfs/dbraw/zinc/52/66/97/1095526697.db2.gz MLPGUKAHGJBXEB-INIZCTEOSA-N 0 0 312.816 3.150 20 10 DGCDRN O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)N1CCCc2cc(O)c(O)cc2C1 ZINC001144299393 1095592917 /nfs/dbraw/zinc/59/29/17/1095592917.db2.gz YNLVSBCNWKPOCS-VHDGCEQUSA-N 0 0 315.413 3.199 20 10 DGCDRN [O-]c1cc(F)c(Br)cc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001144300191 1095596659 /nfs/dbraw/zinc/59/66/59/1095596659.db2.gz WGTSKSCFXXKPOD-OVYXKVPISA-N 0 0 318.161 3.226 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cc(Br)co2)cc1 ZINC001124553701 1095603178 /nfs/dbraw/zinc/60/31/78/1095603178.db2.gz UWUZCYWLUWOWST-UHFFFAOYSA-N 0 0 323.190 3.038 20 10 DGCDRN CC[C@H]1CCCN(c2nnc(C3SC=CC3=O)n2CC)C1 ZINC001339366062 1095603249 /nfs/dbraw/zinc/60/32/49/1095603249.db2.gz AZHSVJLOTULLCV-NSHDSACASA-N 0 0 306.435 3.359 20 10 DGCDRN Oc1ccc(Br)cc1CNc1ncc2c(n1)CCC2 ZINC001171174411 1095643697 /nfs/dbraw/zinc/64/36/97/1095643697.db2.gz SLAGPPDZLKQXGC-UHFFFAOYSA-N 0 0 320.190 3.046 20 10 DGCDRN O=C(CCc1ccccc1)Nc1c2nonc2ccc1Cl ZINC001116850318 1095678015 /nfs/dbraw/zinc/67/80/15/1095678015.db2.gz KAGGEXAGIGSAIF-UHFFFAOYSA-N 0 0 301.733 3.448 20 10 DGCDRN COc1cccc(C(=O)Nc2c3nonc3ccc2Cl)c1 ZINC001116850366 1095678289 /nfs/dbraw/zinc/67/82/89/1095678289.db2.gz KLOJIPOTPOBLFZ-UHFFFAOYSA-N 0 0 303.705 3.137 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H](C)c2cc(C)oc2C)c(O)c1 ZINC001116876867 1095687719 /nfs/dbraw/zinc/68/77/19/1095687719.db2.gz DUUHGMICADXQJC-NSHDSACASA-N 0 0 318.373 3.171 20 10 DGCDRN COc1ccc(N2CCN(Cc3cccc(C)c3F)CC2)cc1 ZINC001137672783 1095705514 /nfs/dbraw/zinc/70/55/14/1095705514.db2.gz ZEFRIXBBJNLTOV-UHFFFAOYSA-N 0 0 314.404 3.465 20 10 DGCDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C1CC(=O)C1 ZINC001137816318 1095751090 /nfs/dbraw/zinc/75/10/90/1095751090.db2.gz GBXLRNVJDLCCES-AWEZNQCLSA-N 0 0 323.392 3.461 20 10 DGCDRN Cc1ccc(N2CC[NH+](Cc3c([O-])cccc3F)CC2)cc1 ZINC001137831556 1095755223 /nfs/dbraw/zinc/75/52/23/1095755223.db2.gz DYWMPKMBIYMREZ-UHFFFAOYSA-N 0 0 300.377 3.162 20 10 DGCDRN CC(C)(C)OC(=O)O[C@H]1CC[N@H+](Cc2c([O-])cccc2F)C1 ZINC001137831883 1095756167 /nfs/dbraw/zinc/75/61/67/1095756167.db2.gz QWKJHPPVUQTGJX-NSHDSACASA-N 0 0 311.353 3.057 20 10 DGCDRN Cc1ccccc1N1CC[NH+](Cc2c([O-])cccc2F)CC1 ZINC001137832012 1095756558 /nfs/dbraw/zinc/75/65/58/1095756558.db2.gz XAJPJAXYHIRHPH-UHFFFAOYSA-N 0 0 300.377 3.162 20 10 DGCDRN O=C(Nc1ccccc1)[C@@H]1CCCN1Cc1c(O)cccc1F ZINC001137841808 1095757641 /nfs/dbraw/zinc/75/76/41/1095757641.db2.gz VYRBVHYSXKOWDI-INIZCTEOSA-N 0 0 314.360 3.134 20 10 DGCDRN CC(C)(C)OC(=O)[C@@H]1CCCCN1Cc1c(O)cccc1F ZINC001137837559 1095759185 /nfs/dbraw/zinc/75/91/85/1095759185.db2.gz LUUYTQPTTRJENK-AWEZNQCLSA-N 0 0 309.381 3.228 20 10 DGCDRN Cc1cc(CN2CCn3ccnc3C2)c(C)n1-c1ccccc1 ZINC001137855713 1095767947 /nfs/dbraw/zinc/76/79/47/1095767947.db2.gz DWOLFRGGGZUWHK-UHFFFAOYSA-N 0 0 306.413 3.306 20 10 DGCDRN Cc1cc(CN2Cc3cnn(C)c3C2)c(C)n1-c1ccccc1 ZINC001137858126 1095769823 /nfs/dbraw/zinc/76/98/23/1095769823.db2.gz XKNLPMMZKFRBPV-UHFFFAOYSA-N 0 0 306.413 3.343 20 10 DGCDRN CN1CCC([N@H+](Cc2cccc(F)c2[O-])C2CCCC2)CC1 ZINC001138131022 1095899914 /nfs/dbraw/zinc/89/99/14/1095899914.db2.gz NLOFZMWKDLHIAT-UHFFFAOYSA-N 0 0 306.425 3.370 20 10 DGCDRN Cc1cccc(CNc2cc(C(=O)NC(C)(C)C)ccn2)c1O ZINC001160770422 1095937800 /nfs/dbraw/zinc/93/78/00/1095937800.db2.gz WBYPSKGAFGXNIT-UHFFFAOYSA-N 0 0 313.401 3.236 20 10 DGCDRN Cc1ccc(Cl)cc1CNC(=O)NCc1ccccc1O ZINC001340422967 1095951642 /nfs/dbraw/zinc/95/16/42/1095951642.db2.gz SQDLLRLWFXOOLR-UHFFFAOYSA-N 0 0 304.777 3.353 20 10 DGCDRN COC(=O)c1cnc(SCCOCc2ccccc2)s1 ZINC001118417763 1096003799 /nfs/dbraw/zinc/00/37/99/1096003799.db2.gz PBZSEBZBLANSMO-UHFFFAOYSA-N 0 0 309.412 3.239 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1C[C@@H]1c1ccccc1 ZINC001146231889 1096006533 /nfs/dbraw/zinc/00/65/33/1096006533.db2.gz JCAUJMLMXRUBMK-CABCVRRESA-N 0 0 301.773 3.466 20 10 DGCDRN CN(C)c1ccc(/C=C\CN2CCO[C@](C)(C(F)F)C2)cc1 ZINC001118674090 1096053185 /nfs/dbraw/zinc/05/31/85/1096053185.db2.gz IMXSCMXRMBYBSG-CHYADLBTSA-N 0 0 310.388 3.122 20 10 DGCDRN C[C@@H](NC(=O)N1Cc2cccc(O)c2C1)c1cccc(F)c1F ZINC001224489718 1096223618 /nfs/dbraw/zinc/22/36/18/1096223618.db2.gz LIIXAWBFRDOURO-SNVBAGLBSA-N 0 0 318.323 3.457 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 ZINC001147957856 1096297057 /nfs/dbraw/zinc/29/70/57/1096297057.db2.gz YVNOPZYOOGFKOJ-GFCCVEGCSA-N 0 0 319.788 3.438 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cc(C3CCCCC3)n[nH]2)c1 ZINC001147957516 1096297323 /nfs/dbraw/zinc/29/73/23/1096297323.db2.gz SIQMLKDYPLEJSP-UHFFFAOYSA-N 0 0 313.401 3.401 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)C(F)(F)c2ccccc2C)c1 ZINC001147956722 1096297508 /nfs/dbraw/zinc/29/75/08/1096297508.db2.gz JBTNBZGHYLRJQH-UHFFFAOYSA-N 0 0 305.324 3.417 20 10 DGCDRN COc1ccc(-n2cccc2)c(NC(=O)c2cccc(O)c2O)c1 ZINC001148218867 1096327444 /nfs/dbraw/zinc/32/74/44/1096327444.db2.gz KZGFNLOSHMQBOV-UHFFFAOYSA-N 0 0 324.336 3.149 20 10 DGCDRN CC(C)C[C@@H](NC(=O)c1cccc(O)c1O)c1ccccn1 ZINC001148224289 1096329639 /nfs/dbraw/zinc/32/96/39/1096329639.db2.gz GRGMWTBAHHUBKH-CQSZACIVSA-N 0 0 300.358 3.010 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CC[C@H]2C(C)(C)C)cc1F ZINC001225303353 1096389828 /nfs/dbraw/zinc/38/98/28/1096389828.db2.gz LMRUIHWWIKOYSZ-HNNXBMFYSA-N 0 0 307.413 3.222 20 10 DGCDRN NC(=S)c1ccnc(NCc2cc3ccccc3cc2O)c1 ZINC001171402285 1096674093 /nfs/dbraw/zinc/67/40/93/1096674093.db2.gz KWGIXLGWUKEXRF-UHFFFAOYSA-N 0 0 309.394 3.187 20 10 DGCDRN C[C@H](Oc1c(O)c(O)c(O)c(O)c1O)c1csc(Cl)c1 ZINC001226465572 1096696031 /nfs/dbraw/zinc/69/60/31/1096696031.db2.gz SVMLRKNFQLOHIW-BYPYZUCNSA-N 0 0 318.734 3.070 20 10 DGCDRN CC[C@@H]1C[C@H]1NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001227282250 1096910957 /nfs/dbraw/zinc/91/09/57/1096910957.db2.gz RLFRLZVTBGYIOV-NVXWUHKLSA-N 0 0 301.434 3.227 20 10 DGCDRN COc1cc(OC2CC2)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O ZINC001227393908 1096924313 /nfs/dbraw/zinc/92/43/13/1096924313.db2.gz ZKGFQPKAFLYYLN-UHFFFAOYSA-N 0 0 324.332 3.026 20 10 DGCDRN C[C@@H](NC(=O)COc1ccc(Cl)c(F)c1)c1ccccc1O ZINC001171722995 1096954233 /nfs/dbraw/zinc/95/42/33/1096954233.db2.gz IRCNNRIEOWYDQH-SNVBAGLBSA-N 0 0 323.751 3.441 20 10 DGCDRN C[C@@H](NC(=O)c1cccc2c1OC(F)(F)O2)c1ccccc1O ZINC001171723222 1096954383 /nfs/dbraw/zinc/95/43/83/1096954383.db2.gz OVEIZHLRDXLDJZ-SECBINFHSA-N 0 0 321.279 3.205 20 10 DGCDRN C[C@H](NC(=O)c1cccc2c1OC(F)(F)O2)c1ccccc1O ZINC001171737653 1096971754 /nfs/dbraw/zinc/97/17/54/1096971754.db2.gz OVEIZHLRDXLDJZ-VIFPVBQESA-N 0 0 321.279 3.205 20 10 DGCDRN CCOC(=O)[C@H](C)[C@H](Oc1ccc(N(C)C)cc1)C(F)(F)F ZINC001227940721 1097016897 /nfs/dbraw/zinc/01/68/97/1097016897.db2.gz NSQBPSZWHXXUDQ-MFKMUULPSA-N 0 0 319.323 3.262 20 10 DGCDRN CCOC(=O)C[C@H](Oc1ccc(N(C)C)cc1)C(F)(F)F ZINC001227939631 1097016961 /nfs/dbraw/zinc/01/69/61/1097016961.db2.gz CLMAHJSQMOTKJE-LBPRGKRZSA-N 0 0 305.296 3.016 20 10 DGCDRN CCOC(=O)C[C@@H](Oc1ccc(N(C)C)cc1)C(F)(F)F ZINC001227939629 1097017434 /nfs/dbraw/zinc/01/74/34/1097017434.db2.gz CLMAHJSQMOTKJE-GFCCVEGCSA-N 0 0 305.296 3.016 20 10 DGCDRN C[C@@H](Oc1ccc(N(C)C)cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001227939376 1097017551 /nfs/dbraw/zinc/01/75/51/1097017551.db2.gz UUPWWTIIPJMCJU-CYBMUJFWSA-N 0 0 320.433 3.387 20 10 DGCDRN CO[C@@H](C)CCOc1cccc2c1C(=O)c1ccccc1C2=O ZINC001228073318 1097044901 /nfs/dbraw/zinc/04/49/01/1097044901.db2.gz IPKGAXGDUFWWNJ-LBPRGKRZSA-N 0 0 310.349 3.266 20 10 DGCDRN C[C@H]1C[C@H](Oc2cccc3c2C(=O)c2ccccc2C3=O)CCO1 ZINC001228080257 1097047623 /nfs/dbraw/zinc/04/76/23/1097047623.db2.gz SEZJYBVVOQYIPP-QWHCGFSZSA-N 0 0 322.360 3.408 20 10 DGCDRN CCc1ccccc1CNC(=O)NCc1c(O)cccc1F ZINC001228526124 1097135277 /nfs/dbraw/zinc/13/52/77/1097135277.db2.gz FCZYCKZSPNFWNE-UHFFFAOYSA-N 0 0 302.349 3.093 20 10 DGCDRN CC[C@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@@H]1C ZINC001228576616 1097145001 /nfs/dbraw/zinc/14/50/01/1097145001.db2.gz QNEGNJHMPMIDJP-WBVHZDCISA-N 0 0 313.445 3.393 20 10 DGCDRN CC(=O)c1ccccc1-c1noc(-c2nnsc2C2CC2)n1 ZINC001212679683 1097227997 /nfs/dbraw/zinc/22/79/97/1097227997.db2.gz OSVNQTFCQOEVNB-UHFFFAOYSA-N 0 0 312.354 3.335 20 10 DGCDRN CN(C)c1cccc(-c2noc(-c3nnsc3C3CC3)n2)c1 ZINC001212679674 1097228063 /nfs/dbraw/zinc/22/80/63/1097228063.db2.gz OJXQCLYHIUPIKW-UHFFFAOYSA-N 0 0 313.386 3.199 20 10 DGCDRN COc1ccc2c(c1OC1CCC1)C(=O)c1ccccc1C2=O ZINC001229241637 1097281420 /nfs/dbraw/zinc/28/14/20/1097281420.db2.gz BFOXAOBSYYRVKF-UHFFFAOYSA-N 0 0 308.333 3.402 20 10 DGCDRN COC(=O)c1ccc(C[C@@H](C)[N@H+](C)Cc2ccccc2O)cc1 ZINC001173731127 1097509196 /nfs/dbraw/zinc/50/91/96/1097509196.db2.gz SNOMKSUFSXTCAY-CQSZACIVSA-N 0 0 313.397 3.242 20 10 DGCDRN O=C1c2ccccc2C(=O)c2cc(Nc3cccnc3)c(O)cc21 ZINC001173858013 1097520724 /nfs/dbraw/zinc/52/07/24/1097520724.db2.gz HNFSGYOQHWWVEV-UHFFFAOYSA-N 0 0 316.316 3.306 20 10 DGCDRN CCOC[C@H](C)Oc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001231265378 1097708268 /nfs/dbraw/zinc/70/82/68/1097708268.db2.gz DBPREINIBZFZPV-LBPRGKRZSA-N 0 0 310.349 3.266 20 10 DGCDRN C[C@@H](O)CC(=O)Oc1ccc(NN=C2C=CC(=O)C=C2)cc1 ZINC001231320588 1097721468 /nfs/dbraw/zinc/72/14/68/1097721468.db2.gz PZYZMSJYAVFSHQ-LLVKDONJSA-N 0 0 300.314 3.484 20 10 DGCDRN COc1c(F)ccc(F)c1CN1CCc2cccc(O)c2C1 ZINC001231414220 1097744535 /nfs/dbraw/zinc/74/45/35/1097744535.db2.gz KHCBRDXQGRHIQQ-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN C[N@H+](CCc1cccc(Cl)c1)Cc1ccc(C(=O)[O-])cc1O ZINC001231452688 1097751842 /nfs/dbraw/zinc/75/18/42/1097751842.db2.gz RUGGFBDRVFYBQS-UHFFFAOYSA-N 0 0 319.788 3.418 20 10 DGCDRN C[N@H+](CC/C=C/c1cccnc1)Cc1ccc(C(=O)[O-])cc1O ZINC001231453234 1097752884 /nfs/dbraw/zinc/75/28/84/1097752884.db2.gz DWQWGJPKJIHYQM-GORDUTHDSA-N 0 0 312.369 3.021 20 10 DGCDRN COc1ccccc1[C@@H](C)[N@H+](C)Cc1ccc(C(=O)[O-])cc1O ZINC001231455282 1097753310 /nfs/dbraw/zinc/75/33/10/1097753310.db2.gz MHGHDAWPHPWWOF-GFCCVEGCSA-N 0 0 315.369 3.292 20 10 DGCDRN CC1(C)C[N@H+](Cc2cc(C(=O)[O-])ccc2O)Cc2ccccc21 ZINC001231566134 1097780568 /nfs/dbraw/zinc/78/05/68/1097780568.db2.gz RNXCYEXOLHJUPJ-UHFFFAOYSA-N 0 0 311.381 3.384 20 10 DGCDRN COC(=O)c1cccc2c1CN(Cc1c(C)cc(C)cc1O)C2 ZINC001231846544 1097862543 /nfs/dbraw/zinc/86/25/43/1097862543.db2.gz NWPUCWQJVAYEKV-UHFFFAOYSA-N 0 0 311.381 3.311 20 10 DGCDRN COc1cc2c(cn1)CCN(Cc1cc(Cl)c(C)cc1O)C2 ZINC001231871948 1097871263 /nfs/dbraw/zinc/87/12/63/1097871263.db2.gz RYGOAUOKEIVPCY-UHFFFAOYSA-N 0 0 318.804 3.316 20 10 DGCDRN CCOC(=O)[C@@H]1CCCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001231912343 1097889554 /nfs/dbraw/zinc/88/95/54/1097889554.db2.gz FGLWLSRRFLSSES-CYBMUJFWSA-N 0 0 311.809 3.211 20 10 DGCDRN O=C(c1cc(F)c(F)cc1Cl)N1Cc2cccc(O)c2C1 ZINC001175029922 1097923933 /nfs/dbraw/zinc/92/39/33/1097923933.db2.gz MRYKQHXTRVLISO-UHFFFAOYSA-N 0 0 309.699 3.480 20 10 DGCDRN COc1cc(O)c(CN2CCC(F)(F)[C@@H](F)C2)cc1Cl ZINC001232264034 1097987206 /nfs/dbraw/zinc/98/72/06/1097987206.db2.gz CQCQPFTYSAAMQW-LBPRGKRZSA-N 0 0 309.715 3.233 20 10 DGCDRN COc1cc(O)c(CN2CCC[C@@H]2c2ncccn2)cc1Cl ZINC001232271512 1097989083 /nfs/dbraw/zinc/98/90/83/1097989083.db2.gz VNQKANSVHJNJGU-CYBMUJFWSA-N 0 0 319.792 3.181 20 10 DGCDRN COC(=O)c1c(CN2CCC[C@](C)(F)C2)c2ccccc2n1C ZINC001232401779 1098028801 /nfs/dbraw/zinc/02/88/01/1098028801.db2.gz DFUDJECQXFQZMX-SFHVURJKSA-N 0 0 318.392 3.289 20 10 DGCDRN Cc1nc(N)ncc1Nc1ccc(Cc2ccc(N)cc2)cc1 ZINC001175670815 1098132505 /nfs/dbraw/zinc/13/25/05/1098132505.db2.gz JFJAMMPPFQHGED-UHFFFAOYSA-N 0 0 305.385 3.284 20 10 DGCDRN CN(C)c1ccc(C[N@H+](C)Cc2ccc(F)cc2F)c(O)c1 ZINC001232840683 1098150289 /nfs/dbraw/zinc/15/02/89/1098150289.db2.gz GVHLPXFPCWDURI-UHFFFAOYSA-N 0 0 306.356 3.368 20 10 DGCDRN [O-]c1cc(Br)cc(F)c1C[NH+]1CC2CC(C2)C1 ZINC001233030089 1098207228 /nfs/dbraw/zinc/20/72/28/1098207228.db2.gz MREWXXHXTFSOPA-UHFFFAOYSA-N 0 0 300.171 3.136 20 10 DGCDRN Cc1ccc(N2CC[NH+](Cc3ccc(F)c(F)c3[O-])CC2)cc1 ZINC001233073852 1098219134 /nfs/dbraw/zinc/21/91/34/1098219134.db2.gz FKDZTIGYCHOKNL-UHFFFAOYSA-N 0 0 318.367 3.301 20 10 DGCDRN [O-]c1c(C[NH+]2CCC(Oc3ccncc3)CC2)ccc(F)c1F ZINC001233075768 1098219709 /nfs/dbraw/zinc/21/97/09/1098219709.db2.gz CYMAWGSLBVWHRM-UHFFFAOYSA-N 0 0 320.339 3.109 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC[C@@H](OCc3ccccc3)C2)ccc(F)c1F ZINC001233077835 1098220575 /nfs/dbraw/zinc/22/05/75/1098220575.db2.gz ZGPWWZNGGSSKTA-OAHLLOKOSA-N 0 0 319.351 3.462 20 10 DGCDRN CC(=O)[C@@H]1CCCN1Cc1cc(Br)cc(C)c1O ZINC001233110362 1098228054 /nfs/dbraw/zinc/22/80/54/1098228054.db2.gz BRGHIRDZILPVNU-ZDUSSCGKSA-N 0 0 312.207 3.017 20 10 DGCDRN CN(Cc1nnc2ccccn21)Cc1cc(C(C)(C)C)ccc1O ZINC001233283933 1098274435 /nfs/dbraw/zinc/27/44/35/1098274435.db2.gz BHITXSHNDVLZMT-UHFFFAOYSA-N 0 0 324.428 3.364 20 10 DGCDRN CCOC(=O)[C@@]12C[C@@H]1CCN2Cc1cc(C(C)(C)C)ccc1O ZINC001233284075 1098274592 /nfs/dbraw/zinc/27/45/92/1098274592.db2.gz HKOPOFMQPDGSCG-HNAYVOBHSA-N 0 0 317.429 3.217 20 10 DGCDRN CC(C)(C)c1ccc(O)c(CN2CCO[C@@H](C(F)(F)F)C2)c1 ZINC001233286599 1098276574 /nfs/dbraw/zinc/27/65/74/1098276574.db2.gz AKQDSUFJZQVBBF-CQSZACIVSA-N 0 0 317.351 3.453 20 10 DGCDRN COc1cc(Cl)cc(CN2CCC[C@@H]2c2ncccn2)c1O ZINC001233290879 1098277910 /nfs/dbraw/zinc/27/79/10/1098277910.db2.gz AYFPXHHOJLXJJI-CYBMUJFWSA-N 0 0 319.792 3.181 20 10 DGCDRN CC[N@H+](Cc1ccccc1O)Cc1ccc(O)c2[nH]c(=O)ccc12 ZINC001233294858 1098279337 /nfs/dbraw/zinc/27/93/37/1098279337.db2.gz BQBVWJIIMWNIIV-UHFFFAOYSA-N 0 0 324.380 3.374 20 10 DGCDRN Oc1ccc(F)c(F)c1CN1CCOC[C@@H]1c1ccccc1 ZINC001233332235 1098291525 /nfs/dbraw/zinc/29/15/25/1098291525.db2.gz DKRAFNVCMHTNKF-OAHLLOKOSA-N 0 0 305.324 3.244 20 10 DGCDRN [O-]c1ccc(F)c(F)c1C[NH+]1CCC(c2ccccn2)CC1 ZINC001233334588 1098292626 /nfs/dbraw/zinc/29/26/26/1098292626.db2.gz MOEAWYZELATFND-UHFFFAOYSA-N 0 0 304.340 3.445 20 10 DGCDRN Cc1cnccc1O[C@@H]1CC[N@H+](Cc2c([O-])ccc(F)c2F)C1 ZINC001233336300 1098293656 /nfs/dbraw/zinc/29/36/56/1098293656.db2.gz HBUZQLZJWUOOFN-GFCCVEGCSA-N 0 0 320.339 3.027 20 10 DGCDRN C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233416161 1098323710 /nfs/dbraw/zinc/32/37/10/1098323710.db2.gz YHRYCXGUPVRNOZ-GHMZBOCLSA-N 0 0 303.324 3.004 20 10 DGCDRN CCO[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233418077 1098325537 /nfs/dbraw/zinc/32/55/37/1098325537.db2.gz SCVVOZWMXGQREI-GFCCVEGCSA-N 0 0 303.324 3.412 20 10 DGCDRN CC1(C)C[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CCCO1 ZINC001233418697 1098325641 /nfs/dbraw/zinc/32/56/41/1098325641.db2.gz RNYMLQNBGLGFQF-UHFFFAOYSA-N 0 0 303.324 3.412 20 10 DGCDRN O=C1C[C@H]2CCC[C@@H](C1)N2Cc1cccc(C(F)(F)F)c1O ZINC001233418540 1098325941 /nfs/dbraw/zinc/32/59/41/1098325941.db2.gz LFYXCTCECVPJMI-TXEJJXNPSA-N 0 0 313.319 3.497 20 10 DGCDRN CO[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])[C@@H](C)C1 ZINC001233419743 1098326268 /nfs/dbraw/zinc/32/62/68/1098326268.db2.gz LACBCMLDTPDDON-JQWIXIFHSA-N 0 0 303.324 3.410 20 10 DGCDRN CCN(Cc1cnnn1Cc1ccccc1)Cc1ccccc1O ZINC001233463835 1098342192 /nfs/dbraw/zinc/34/21/92/1098342192.db2.gz GWRHQKGJFCUUDF-UHFFFAOYSA-N 0 0 322.412 3.054 20 10 DGCDRN CCCC(=O)c1cc(O)c(O)cc1OCC[C@H]1COC(C)(C)O1 ZINC001233497818 1098351901 /nfs/dbraw/zinc/35/19/01/1098351901.db2.gz RSTFTHGUQVEIHT-NSHDSACASA-N 0 0 324.373 3.001 20 10 DGCDRN CN(c1ccc(N)cc1)c1cc(F)cc(N2CCOCC2)c1 ZINC001176501165 1098368749 /nfs/dbraw/zinc/36/87/49/1098368749.db2.gz NLENONVXAHBMSH-UHFFFAOYSA-N 0 0 301.365 3.012 20 10 DGCDRN Nc1ccc(N(CCO)c2cccc(OC(F)(F)F)c2)cc1 ZINC001176540771 1098378653 /nfs/dbraw/zinc/37/86/53/1098378653.db2.gz MSYATIKYJHSQHU-UHFFFAOYSA-N 0 0 312.291 3.298 20 10 DGCDRN CCOC(=O)[C@H]1CC[C@H](Oc2ccc3c(c2)CCN3CC)C1 ZINC001233601748 1098386558 /nfs/dbraw/zinc/38/65/58/1098386558.db2.gz MNIFDCBYOLAYBN-GJZGRUSLSA-N 0 0 303.402 3.180 20 10 DGCDRN CCOC(=O)N1CCC[C@@H](Oc2ccc3c(c2)CCN3CC)C1 ZINC001233607156 1098388975 /nfs/dbraw/zinc/38/89/75/1098388975.db2.gz IGKICWOQHFOHBP-MRXNPFEDSA-N 0 0 318.417 3.069 20 10 DGCDRN CS(=O)(=O)N(c1ccc(N)cc1)c1cccc(C2CC2)c1 ZINC001176724449 1098413375 /nfs/dbraw/zinc/41/33/75/1098413375.db2.gz VZGIXWGTOIRKPX-UHFFFAOYSA-N 0 0 302.399 3.244 20 10 DGCDRN Oc1c(CN2CC3(C2)CCCCO3)cccc1OC(F)(F)F ZINC001233736570 1098419880 /nfs/dbraw/zinc/41/98/80/1098419880.db2.gz NFIKTDNXDGTRQL-UHFFFAOYSA-N 0 0 317.307 3.046 20 10 DGCDRN CCCCOC1CN(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233755405 1098423349 /nfs/dbraw/zinc/42/33/49/1098423349.db2.gz UGEYLZSXJLGWJZ-UHFFFAOYSA-N 0 0 319.323 3.292 20 10 DGCDRN CN(Cc1nccs1)Cc1cccc(OC(F)(F)F)c1O ZINC001233768400 1098427574 /nfs/dbraw/zinc/42/75/74/1098427574.db2.gz QFPGBGKBHMDSQL-UHFFFAOYSA-N 0 0 318.320 3.379 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCOc1ccccc1F ZINC001177167098 1098480457 /nfs/dbraw/zinc/48/04/57/1098480457.db2.gz YOVZFIBWUHEEDU-UHFFFAOYSA-N 0 0 313.731 3.492 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@H]3CN(C)C)c2c1 ZINC001234553228 1098596447 /nfs/dbraw/zinc/59/64/47/1098596447.db2.gz ZQEXUUBTLAMKFJ-HNNXBMFYSA-N 0 0 314.429 3.080 20 10 DGCDRN Oc1c(CN2CC[C@@H](O)C(F)(F)C2)cccc1-c1ccccc1 ZINC001234996669 1098738897 /nfs/dbraw/zinc/73/88/97/1098738897.db2.gz LVNQUEGSNSJAFZ-MRXNPFEDSA-N 0 0 319.351 3.261 20 10 DGCDRN Cc1cc(C)c(CNC(=O)[C@H](c2ccccn2)C2CC2)c(O)c1 ZINC001178243260 1098770844 /nfs/dbraw/zinc/77/08/44/1098770844.db2.gz KRXAIIJJRWYXEA-SFHVURJKSA-N 0 0 310.397 3.214 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CCCCC12C[NH2+]C2 ZINC001235104605 1098805655 /nfs/dbraw/zinc/80/56/55/1098805655.db2.gz UCCCYMOOMMHHHM-UHFFFAOYSA-N 0 0 301.217 3.027 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H](C)c2ncon2)cc1 ZINC001178714882 1098918332 /nfs/dbraw/zinc/91/83/32/1098918332.db2.gz OPEZHHSTKOJEBR-LBPRGKRZSA-N 0 0 324.384 3.011 20 10 DGCDRN C[C@@H](Cc1ccccc1Cl)C(=O)NCc1c(O)cccc1O ZINC001178912922 1098970289 /nfs/dbraw/zinc/97/02/89/1098970289.db2.gz ZGOZZDXWKCELKT-NSHDSACASA-N 0 0 319.788 3.246 20 10 DGCDRN CCC1(C(=O)NCc2c(O)cccc2O)CCC(F)(F)CC1 ZINC001178917230 1098970738 /nfs/dbraw/zinc/97/07/38/1098970738.db2.gz MJLWPVMMOHENFS-UHFFFAOYSA-N 0 0 313.344 3.320 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1noc2cc(F)ccc12 ZINC001179429531 1099091734 /nfs/dbraw/zinc/09/17/34/1099091734.db2.gz DPGWRLCYDRQQEL-UHFFFAOYSA-N 0 0 308.259 3.241 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cc(C2CCCC2)no1 ZINC001179683349 1099176153 /nfs/dbraw/zinc/17/61/53/1099176153.db2.gz JPEXMSWXNOWQPD-SOFGYWHQSA-N 0 0 314.341 3.395 20 10 DGCDRN C[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CCC1(F)F ZINC001179682885 1099176712 /nfs/dbraw/zinc/17/67/12/1099176712.db2.gz BRWWAWIBDHORDN-JOAKQRRISA-N 0 0 311.328 3.005 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCN[C@@H](c2ccccc2)C1 ZINC001235854006 1099214711 /nfs/dbraw/zinc/21/47/11/1099214711.db2.gz DGYUTQVZHYURRZ-MRXNPFEDSA-N 0 0 302.805 3.192 20 10 DGCDRN COCOc1ccc(-c2cc(N(C)c3ccccc3)ncn2)cn1 ZINC001235954095 1099286842 /nfs/dbraw/zinc/28/68/42/1099286842.db2.gz NTSXGLFACZKTJN-UHFFFAOYSA-N 0 0 322.368 3.289 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)Nc2cccc3c2COC3)cc1 ZINC001180128831 1099307404 /nfs/dbraw/zinc/30/74/04/1099307404.db2.gz WEKNWBFXHSGPDU-DHZHZOJOSA-N 0 0 308.381 3.435 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)N[C@H]2CCCc3cccnc32)cc1 ZINC001180129833 1099309355 /nfs/dbraw/zinc/30/93/55/1099309355.db2.gz JLKGRZUASHBLAB-HGZMWJMZSA-N 0 0 321.424 3.355 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)Nc2cnn3cc(F)ccc23)cc1 ZINC001180123018 1099320780 /nfs/dbraw/zinc/32/07/80/1099320780.db2.gz KETLXWYJTCAPNE-BJMVGYQFSA-N 0 0 324.359 3.191 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)Nc2ncc(Cl)cc2N)cc1 ZINC001180123983 1099321652 /nfs/dbraw/zinc/32/16/52/1099321652.db2.gz UVFKGVFRKLEMOO-VMPITWQZSA-N 0 0 316.792 3.035 20 10 DGCDRN Cc1cc2ccccc2n1CC(=O)N1CCc2cccc(O)c2C1 ZINC001180435585 1099405266 /nfs/dbraw/zinc/40/52/66/1099405266.db2.gz WSQLIYILRZTHJK-UHFFFAOYSA-N 0 0 320.392 3.240 20 10 DGCDRN CSc1ccc(CN2CCOc3cc(N(C)C)ccc32)o1 ZINC001180646388 1099482429 /nfs/dbraw/zinc/48/24/29/1099482429.db2.gz KJVRBEXQGVVBJP-UHFFFAOYSA-N 0 0 304.415 3.467 20 10 DGCDRN O=C1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CN1C1CCCCC1 ZINC001180699349 1099494488 /nfs/dbraw/zinc/49/44/88/1099494488.db2.gz ZBIYHIPRVZHKKB-CYBMUJFWSA-N 0 0 322.836 3.069 20 10 DGCDRN CCOC(=O)c1coc2c1CN(Cc1cc(Cl)ccc1O)C2 ZINC001203663954 1099544611 /nfs/dbraw/zinc/54/46/11/1099544611.db2.gz HZYIJUBTAXMVEP-UHFFFAOYSA-N 0 0 321.760 3.331 20 10 DGCDRN COc1nc(C(C)C)ccc1-c1nnc(C)cc1-c1nccn1C ZINC001236444560 1099615130 /nfs/dbraw/zinc/61/51/30/1099615130.db2.gz OOMCILFQGRZMDE-UHFFFAOYSA-N 0 0 323.400 3.380 20 10 DGCDRN Oc1cncc(-c2ncnc3c2ccn3Cc2cccc(F)c2)c1 ZINC001236574668 1099685353 /nfs/dbraw/zinc/68/53/53/1099685353.db2.gz VDOSIILHUVJIQG-UHFFFAOYSA-N 0 0 320.327 3.386 20 10 DGCDRN Cc1cc(C)n(-c2ccccc2C(=O)NCc2ccccc2O)n1 ZINC001188254196 1099729077 /nfs/dbraw/zinc/72/90/77/1099729077.db2.gz QEDNNVZBBFROQS-UHFFFAOYSA-N 0 0 321.380 3.125 20 10 DGCDRN Cc1cc(Br)c(O)c(CN2CCCC(=O)CC2)c1 ZINC001236667444 1099733992 /nfs/dbraw/zinc/73/39/92/1099733992.db2.gz WLNCVFYOSLEHIA-UHFFFAOYSA-N 0 0 312.207 3.018 20 10 DGCDRN Cc1cc(Br)c(O)c(CN(C)CC(F)(F)F)c1 ZINC001236674161 1099736849 /nfs/dbraw/zinc/73/68/49/1099736849.db2.gz VSISFEVDDDVLOM-UHFFFAOYSA-N 0 0 312.129 3.457 20 10 DGCDRN COc1ccc(OC)c(NC(=O)N[C@H](C)c2ccccc2O)c1 ZINC001188359564 1099756783 /nfs/dbraw/zinc/75/67/83/1099756783.db2.gz CSEFVWVBMPCUGJ-LLVKDONJSA-N 0 0 316.357 3.292 20 10 DGCDRN CCc1ccc(C[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)c(O)c1 ZINC001236783075 1099780579 /nfs/dbraw/zinc/78/05/79/1099780579.db2.gz HSSNARFXUFNZNQ-LJQANCHMSA-N 0 0 310.441 3.443 20 10 DGCDRN CCc1ccc(C[N@@H+]2CC[C@@H](Oc3cccc(C)n3)C2)c(O)c1 ZINC001236788769 1099785670 /nfs/dbraw/zinc/78/56/70/1099785670.db2.gz QEISCZGFVRNMNO-QGZVFWFLSA-N 0 0 312.413 3.311 20 10 DGCDRN COc1cc(O)c(CN2CCC(F)(F)[C@H](F)C2)c(Cl)c1 ZINC001236799699 1099794023 /nfs/dbraw/zinc/79/40/23/1099794023.db2.gz WLGDUEIAFARLOO-GFCCVEGCSA-N 0 0 309.715 3.233 20 10 DGCDRN [O-]c1cc(Cl)c(Cl)cc1C[N@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001236799312 1099794215 /nfs/dbraw/zinc/79/42/15/1099794215.db2.gz NTHMBHDBCJOKNR-FHYCKABGSA-N 0 0 314.212 3.308 20 10 DGCDRN CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236800521 1099794345 /nfs/dbraw/zinc/79/43/45/1099794345.db2.gz VMWOTPJAJVKPTC-ZDUSSCGKSA-N 0 0 304.217 3.434 20 10 DGCDRN COc1cc(O)c(CN2CCc3ncsc3C2)c(Cl)c1 ZINC001236802829 1099795827 /nfs/dbraw/zinc/79/58/27/1099795827.db2.gz KSBMLMCLYMSONB-UHFFFAOYSA-N 0 0 310.806 3.069 20 10 DGCDRN COc1cc(O)c(CN2CCC[C@@H]2c2ncccn2)c(Cl)c1 ZINC001236806295 1099799140 /nfs/dbraw/zinc/79/91/40/1099799140.db2.gz UGFVEMLSERPWBS-CQSZACIVSA-N 0 0 319.792 3.181 20 10 DGCDRN COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c([O-])c1Cl ZINC001236807836 1099800068 /nfs/dbraw/zinc/80/00/68/1099800068.db2.gz SQVKWOFESYYASY-MRXNPFEDSA-N 0 0 311.809 3.057 20 10 DGCDRN COc1cc(C)c(CN2Cc3cnc(Cl)cc3C2)c(O)c1 ZINC001236815882 1099803063 /nfs/dbraw/zinc/80/30/63/1099803063.db2.gz PGCAENVLMVJFTI-UHFFFAOYSA-N 0 0 304.777 3.273 20 10 DGCDRN COc1cc(C)c(C[N@@H+]2CCC[C@@H]2Cc2ccccn2)c(O)c1 ZINC001236814741 1099803692 /nfs/dbraw/zinc/80/36/92/1099803692.db2.gz VQFSZNSRVDGQNN-MRXNPFEDSA-N 0 0 312.413 3.311 20 10 DGCDRN CN(Cc1nnc2ccccn21)Cc1cc2ccccc2cc1O ZINC001236826832 1099812293 /nfs/dbraw/zinc/81/22/93/1099812293.db2.gz NTXNHPABTKXWAJ-UHFFFAOYSA-N 0 0 318.380 3.220 20 10 DGCDRN Cc1ccc(Cl)cc1NC(=O)NCc1cccc(O)c1O ZINC001188744377 1099846798 /nfs/dbraw/zinc/84/67/98/1099846798.db2.gz UNDYORIPBCNFCJ-UHFFFAOYSA-N 0 0 306.749 3.381 20 10 DGCDRN CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCCC(=O)N3)C2)c(O)c1 ZINC001237048278 1099942512 /nfs/dbraw/zinc/94/25/12/1099942512.db2.gz JBGKPKWKHUPQGN-IBGZPJMESA-N 0 0 316.445 3.150 20 10 DGCDRN CC(C)c1ccc(C[N@H+]2CCc3ccc(=O)[nH]c3CC2)c(O)c1 ZINC001237050110 1099945186 /nfs/dbraw/zinc/94/51/86/1099945186.db2.gz YHMFKHNFKHILDP-UHFFFAOYSA-N 0 0 312.413 3.217 20 10 DGCDRN [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CCC[C@@](F)(CO)CC1 ZINC001237077061 1099954834 /nfs/dbraw/zinc/95/48/34/1099954834.db2.gz CDGILANHYWQDMB-AWEZNQCLSA-N 0 0 322.207 3.386 20 10 DGCDRN CCOC(=O)[C@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237080405 1099957942 /nfs/dbraw/zinc/95/79/42/1099957942.db2.gz BUHHSWUZZWZLHC-VIFPVBQESA-N 0 0 318.200 3.084 20 10 DGCDRN O=C1CN(Cc2c(O)ccc(Cl)c2Cl)CCC[C@H]1F ZINC001237078641 1099958465 /nfs/dbraw/zinc/95/84/65/1099958465.db2.gz VTABSSQZWIVUOX-SNVBAGLBSA-N 0 0 306.164 3.202 20 10 DGCDRN CC[C@@]12C[C@@H](CO1)N(Cc1c(O)ccc(Cl)c1Cl)C2 ZINC001237085387 1099963701 /nfs/dbraw/zinc/96/37/01/1099963701.db2.gz YXTAIJXPOLFKGN-XPTSAGLGSA-N 0 0 302.201 3.452 20 10 DGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(CO)o2)cc1 ZINC001189155108 1099965133 /nfs/dbraw/zinc/96/51/33/1099965133.db2.gz YQNJIJXCERHWQQ-UHFFFAOYSA-N 0 0 322.364 3.201 20 10 DGCDRN Oc1cccc(OC(F)(F)F)c1CN1Cc2ncsc2C1 ZINC001237116487 1099978732 /nfs/dbraw/zinc/97/87/32/1099978732.db2.gz ZNMQQSCEQYPNPM-UHFFFAOYSA-N 0 0 316.304 3.263 20 10 DGCDRN CN(Cc1cscn1)Cc1c(O)cccc1OC(F)(F)F ZINC001237123376 1099980953 /nfs/dbraw/zinc/98/09/53/1099980953.db2.gz PZZIZRNYXFNZPD-UHFFFAOYSA-N 0 0 318.320 3.379 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1cnc(Cl)c(F)c1)CCC2 ZINC001237408613 1100115999 /nfs/dbraw/zinc/11/59/99/1100115999.db2.gz WGSONQLJUYKTRF-UHFFFAOYSA-N 0 0 322.767 3.234 20 10 DGCDRN COc1ccccc1O[C@@H]1CC[N@H+](Cc2c(C)cccc2O)C1 ZINC001237490504 1100141223 /nfs/dbraw/zinc/14/12/23/1100141223.db2.gz VJSGOMQLWKNYRI-OAHLLOKOSA-N 0 0 313.397 3.363 20 10 DGCDRN COC(=O)c1cc(OC[C@@H]2CCCC(C)(C)O2)ccc1N(C)C ZINC001189977038 1100163946 /nfs/dbraw/zinc/16/39/46/1100163946.db2.gz FFCYKDZZFQZNFF-AWEZNQCLSA-N 0 0 321.417 3.266 20 10 DGCDRN C[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC[C@]1(C)O ZINC001237618417 1100189338 /nfs/dbraw/zinc/18/93/38/1100189338.db2.gz ZZMBQUXQPCYQQQ-BONVTDFDSA-N 0 0 301.789 3.168 20 10 DGCDRN CC[NH+](CC)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001237619636 1100190185 /nfs/dbraw/zinc/19/01/85/1100190185.db2.gz ATHZWQWMHNGZPR-UHFFFAOYSA-N 0 0 314.832 3.491 20 10 DGCDRN CC(C)[N@@H+]1CCN(Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1C ZINC001237624305 1100192323 /nfs/dbraw/zinc/19/23/23/1100192323.db2.gz SBKAZORUFRXNNV-NSHDSACASA-N 0 0 300.805 3.099 20 10 DGCDRN C[N@H+](Cc1cc(-c2ccc(F)cc2)ccc1O)[C@H]1CCOC1 ZINC001237643726 1100201099 /nfs/dbraw/zinc/20/10/99/1100201099.db2.gz BDLWVYZLPRLKAQ-KRWDZBQOSA-N 0 0 301.361 3.419 20 10 DGCDRN COc1cc(CN2CCC[C@H]2c2cc(C)on2)c(O)c(OC)c1 ZINC001237675379 1100209830 /nfs/dbraw/zinc/20/98/30/1100209830.db2.gz WVTUJXQHFVYONC-HNNXBMFYSA-N 0 0 318.373 3.043 20 10 DGCDRN Cc1cc(O)c(CN2C[C@@H](C)O[C@H](C)C2)cc1Br ZINC001237675969 1100210395 /nfs/dbraw/zinc/21/03/95/1100210395.db2.gz DHQOIDWHVADTKF-GHMZBOCLSA-N 0 0 314.223 3.072 20 10 DGCDRN CCC[N@H+](CCOC)Cc1cc(Br)c(C)cc1O ZINC001237678462 1100212952 /nfs/dbraw/zinc/21/29/52/1100212952.db2.gz ZLQWEMZLKDNJER-UHFFFAOYSA-N 0 0 316.239 3.322 20 10 DGCDRN CCCNC(=O)[C@H]1CCCCN1Cc1cc(Cl)cc(C)c1O ZINC001237685514 1100215402 /nfs/dbraw/zinc/21/54/02/1100215402.db2.gz FAGFRMDNYOOYCP-OAHLLOKOSA-N 0 0 324.852 3.235 20 10 DGCDRN Oc1cc(Cl)c(F)cc1CN1CCC[C@@H]1c1cnccn1 ZINC001237938224 1100299145 /nfs/dbraw/zinc/29/91/45/1100299145.db2.gz ZHPQFIKKALAHQK-CQSZACIVSA-N 0 0 307.756 3.312 20 10 DGCDRN Oc1cc(Cl)c(F)cc1CN1CCO[C@H](c2ccccn2)C1 ZINC001237949988 1100301072 /nfs/dbraw/zinc/30/10/72/1100301072.db2.gz QGEPZILXYHDCSI-INIZCTEOSA-N 0 0 322.767 3.153 20 10 DGCDRN Cc1nc([C@@H]2CCCCN2Cc2cc(F)cc(C)c2O)no1 ZINC001238061819 1100345242 /nfs/dbraw/zinc/34/52/42/1100345242.db2.gz JBZKRTCSUDUMCB-AWEZNQCLSA-N 0 0 305.353 3.258 20 10 DGCDRN Cc1cc(F)cc(CN2CCO[C@@H](c3ccccc3)C2)c1O ZINC001238062756 1100346902 /nfs/dbraw/zinc/34/69/02/1100346902.db2.gz RCUOYIIEBFKSPI-QGZVFWFLSA-N 0 0 301.361 3.413 20 10 DGCDRN CCOC(=O)C[C@@H]1CC[N@H+](Cc2cc(F)cc(C)c2O)C[C@@H]1C ZINC001238067550 1100348692 /nfs/dbraw/zinc/34/86/92/1100348692.db2.gz UVKXOOZWYXPPST-KBPBESRZSA-N 0 0 323.408 3.251 20 10 DGCDRN CCOC(=O)c1coc2c1CN(Cc1cc(F)cc(C)c1O)C2 ZINC001238070818 1100351214 /nfs/dbraw/zinc/35/12/14/1100351214.db2.gz PMRXUSFPWDVRKS-UHFFFAOYSA-N 0 0 319.332 3.125 20 10 DGCDRN Cc1ccc(Cl)c(NC(=O)NCc2ccc(O)cc2O)c1 ZINC001191722703 1100502811 /nfs/dbraw/zinc/50/28/11/1100502811.db2.gz JSFJIAXGTHGONE-UHFFFAOYSA-N 0 0 306.749 3.381 20 10 DGCDRN CCOc1cc(CN(CC)Cc2ccccc2O)c(F)cn1 ZINC001238729306 1100514587 /nfs/dbraw/zinc/51/45/87/1100514587.db2.gz APYHVMSOYMENCL-UHFFFAOYSA-N 0 0 304.365 3.347 20 10 DGCDRN COc1cc(C(=O)N[C@H]2C[C@@H](C)c3ccccc32)cc(O)c1O ZINC001193113751 1100707770 /nfs/dbraw/zinc/70/77/70/1100707770.db2.gz AVSQIYAEWRSTMX-YGRLFVJLSA-N 0 0 313.353 3.085 20 10 DGCDRN O=C(Nc1ccc2[nH]ccc2c1)c1ccc(O)c(O)c1Cl ZINC001193209679 1100717627 /nfs/dbraw/zinc/71/76/27/1100717627.db2.gz NIDCZXDTTSBGQJ-UHFFFAOYSA-N 0 0 302.717 3.485 20 10 DGCDRN O=C(NCc1ccccc1O)c1cncc(-c2ccsc2)c1 ZINC001193995035 1100857590 /nfs/dbraw/zinc/85/75/90/1100857590.db2.gz PYXOMRFCGXWTAW-UHFFFAOYSA-N 0 0 310.378 3.446 20 10 DGCDRN CCN(C)C(=O)c1ccc(-c2ccc(C3=S=CC=C3)nc2)cc1 ZINC001240286309 1100925449 /nfs/dbraw/zinc/92/54/49/1100925449.db2.gz SGEKGNKGKIFFGC-UHFFFAOYSA-N 0 0 322.433 3.466 20 10 DGCDRN O=C(NCc1ccccc1O)c1cc(F)ccc1N1CCCC1 ZINC001194470167 1100944965 /nfs/dbraw/zinc/94/49/65/1100944965.db2.gz ZMTYUJHGOCOGKA-UHFFFAOYSA-N 0 0 314.360 3.062 20 10 DGCDRN Cc1cc(-c2nccn2C)c(-c2cnn(CCC(C)C)c2)nn1 ZINC001240419426 1100988814 /nfs/dbraw/zinc/98/88/14/1100988814.db2.gz YKBWUUJVGYSEPL-UHFFFAOYSA-N 0 0 310.405 3.095 20 10 DGCDRN CCC(CC)COC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC001194679401 1100990224 /nfs/dbraw/zinc/99/02/24/1100990224.db2.gz MNZBILNKSXTVHP-UHFFFAOYSA-N 0 0 320.433 3.390 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCc1ccc2c(c1)CCC2 ZINC000079556060 1100992527 /nfs/dbraw/zinc/99/25/27/1100992527.db2.gz DNZQLTAKTNKJME-UHFFFAOYSA-N 0 0 310.397 3.223 20 10 DGCDRN Cc1cc2cc(-c3ccn(Cc4ccccn4)c(=O)c3)cnc2[nH]1 ZINC001240489212 1101018678 /nfs/dbraw/zinc/01/86/78/1101018678.db2.gz IAVUJPTUFLHLIB-UHFFFAOYSA-N 0 0 316.364 3.143 20 10 DGCDRN COc1cc(C)c(S(=O)(=O)Nc2ccc(O)cc2)c(C)c1C ZINC001194836364 1101021133 /nfs/dbraw/zinc/02/11/33/1101021133.db2.gz XQVIIXFFURWDTI-UHFFFAOYSA-N 0 0 321.398 3.127 20 10 DGCDRN Cc1n[nH]cc1-c1ncnc2c1ccn2Cc1cccc(F)c1 ZINC001240516539 1101032007 /nfs/dbraw/zinc/03/20/07/1101032007.db2.gz IJGAZVJXPQNLDT-UHFFFAOYSA-N 0 0 307.332 3.317 20 10 DGCDRN Cc1n[nH]cc1-c1ncnc2c1ccn2Cc1ccc(F)cc1 ZINC001240517316 1101032344 /nfs/dbraw/zinc/03/23/44/1101032344.db2.gz UPDXEHFCAPJTSB-UHFFFAOYSA-N 0 0 307.332 3.317 20 10 DGCDRN Cn1ccc2c1ncnc2-c1cnc(Cl)n1[C@H]1CCCCO1 ZINC001240520151 1101032877 /nfs/dbraw/zinc/03/28/77/1101032877.db2.gz KGZRAEMBJSKGLW-GFCCVEGCSA-N 0 0 317.780 3.184 20 10 DGCDRN CC(C)CCOC(=O)NCc1cc(Br)ccc1O ZINC001194892449 1101041779 /nfs/dbraw/zinc/04/17/79/1101041779.db2.gz UTMAFKFIRZRNSN-UHFFFAOYSA-N 0 0 316.195 3.427 20 10 DGCDRN COC(=O)c1cc2ccc(-c3cnc(C4CC4)nc3)cc2n1C ZINC001240686063 1101097183 /nfs/dbraw/zinc/09/71/83/1101097183.db2.gz HHJCHKHFHLCHRP-UHFFFAOYSA-N 0 0 307.353 3.299 20 10 DGCDRN Cc1ncccc1-c1ncnc2c1ccn2COC(=O)C(C)(C)C ZINC001240718789 1101107743 /nfs/dbraw/zinc/10/77/43/1101107743.db2.gz GAPXAVBFWWIQQC-UHFFFAOYSA-N 0 0 324.384 3.349 20 10 DGCDRN COc1ccc(NC(=S)NCc2cccc(C)c2O)cc1 ZINC001195723970 1101189073 /nfs/dbraw/zinc/18/90/73/1101189073.db2.gz FSDWAMFPQQAJJB-UHFFFAOYSA-N 0 0 302.399 3.196 20 10 DGCDRN COc1ccc(CNC(=S)Nc2cc(F)ccc2C)nc1 ZINC001195937256 1101217119 /nfs/dbraw/zinc/21/71/19/1101217119.db2.gz QPTPTNKUOWFDKO-UHFFFAOYSA-N 0 0 305.378 3.024 20 10 DGCDRN COc1cccc(CNC(=S)Nc2cc(F)ccc2C)n1 ZINC001195938076 1101217456 /nfs/dbraw/zinc/21/74/56/1101217456.db2.gz XSOMEQJHXBHPAD-UHFFFAOYSA-N 0 0 305.378 3.024 20 10 DGCDRN Cc1ccc(F)cc1NC(=S)NCc1cccc2ccnn21 ZINC001195937162 1101224961 /nfs/dbraw/zinc/22/49/61/1101224961.db2.gz OJFLDOXIJUUSFH-UHFFFAOYSA-N 0 0 314.389 3.268 20 10 DGCDRN Cc1ncc(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)n1C ZINC001196077387 1101246515 /nfs/dbraw/zinc/24/65/15/1101246515.db2.gz SEOSOXLJSVOBCG-UHFFFAOYSA-N 0 0 320.396 3.158 20 10 DGCDRN O=C(c1cccnc1-c1ccc[nH]c1=O)N1CCc2ccccc21 ZINC001241106585 1101256998 /nfs/dbraw/zinc/25/69/98/1101256998.db2.gz LVTMWURFWZVBAO-UHFFFAOYSA-N 0 0 317.348 3.052 20 10 DGCDRN CC(=O)c1ccc(NC(=S)NCc2cccc(Cl)n2)cc1 ZINC001196570957 1101333953 /nfs/dbraw/zinc/33/39/53/1101333953.db2.gz LTZUTLVVEZZUJS-UHFFFAOYSA-N 0 0 319.817 3.424 20 10 DGCDRN CC(C)OC(=O)c1ccc(-c2ccc(C3=S=CC=C3)nn2)cc1 ZINC001241282664 1101348358 /nfs/dbraw/zinc/34/83/58/1101348358.db2.gz OJFSOGULDAOCQX-UHFFFAOYSA-N 0 0 324.405 3.335 20 10 DGCDRN CCOc1ncc(-c2cc(N3CCc4ccccc43)ncn2)cn1 ZINC001241550990 1101545050 /nfs/dbraw/zinc/54/50/50/1101545050.db2.gz XQRMKOMHGRGKQG-UHFFFAOYSA-N 0 0 319.368 3.027 20 10 DGCDRN COc1cc(NC(=O)N[C@@H](C)c2ccccc2O)cc(OC)c1 ZINC001197402296 1101557973 /nfs/dbraw/zinc/55/79/73/1101557973.db2.gz PILODLVXORPIGA-NSHDSACASA-N 0 0 316.357 3.292 20 10 DGCDRN COc1ccccc1NC(=O)NCc1cccc(Cl)c1O ZINC001197794648 1101668409 /nfs/dbraw/zinc/66/84/09/1101668409.db2.gz NTTUMTPCKYLTRV-UHFFFAOYSA-N 0 0 306.749 3.376 20 10 DGCDRN Cn1ccc2c1cccc2-c1cnc(OC2CCOCC2)nc1 ZINC001241822983 1101727940 /nfs/dbraw/zinc/72/79/40/1101727940.db2.gz IKQBRVOLIMOYFN-UHFFFAOYSA-N 0 0 309.369 3.193 20 10 DGCDRN COC(=O)c1nc(SC)ncc1-c1cccc2c1ccn2C ZINC001241822405 1101728141 /nfs/dbraw/zinc/72/81/41/1101728141.db2.gz UTWCAZDBOXRUSZ-UHFFFAOYSA-N 0 0 313.382 3.144 20 10 DGCDRN CCOC(=O)c1ncn2cc(-c3cccc4c3ccn4C)cnc12 ZINC001241822479 1101728310 /nfs/dbraw/zinc/72/83/10/1101728310.db2.gz XWHTXRIOZDWGBG-UHFFFAOYSA-N 0 0 320.352 3.065 20 10 DGCDRN Cc1cc(-c2cccc3c2ccn3C)cnc1N1CCOCC1 ZINC001241822434 1101728744 /nfs/dbraw/zinc/72/87/44/1101728744.db2.gz VTQBJZMPEQEAFL-UHFFFAOYSA-N 0 0 307.397 3.385 20 10 DGCDRN CC(=O)N1CC=C(c2ccc(N(C)C)c(C(F)(F)F)c2)CC1 ZINC001241968423 1101811494 /nfs/dbraw/zinc/81/14/94/1101811494.db2.gz HRDPERQRFRNRFT-UHFFFAOYSA-N 0 0 312.335 3.407 20 10 DGCDRN C[C@@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccccc1O ZINC001198308507 1101829421 /nfs/dbraw/zinc/82/94/21/1101829421.db2.gz QLAIKVMFBZCMKO-SNVBAGLBSA-N 0 0 316.382 3.169 20 10 DGCDRN Cc1cccc(C)c1NC(=S)NCc1ccc(O)cc1O ZINC001198380465 1101838188 /nfs/dbraw/zinc/83/81/88/1101838188.db2.gz TYDISHKTSQXVSU-UHFFFAOYSA-N 0 0 302.399 3.201 20 10 DGCDRN C[C@H]1CC[C@H](C[NH3+])N(Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001205845106 1101935223 /nfs/dbraw/zinc/93/52/23/1101935223.db2.gz ZGACASNWYDAUDT-GXSJLCMTSA-N 0 0 303.233 3.258 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCCN1CCc2ccccc21 ZINC001199110393 1102069762 /nfs/dbraw/zinc/06/97/62/1102069762.db2.gz MJDCCHJSYJHCLF-UHFFFAOYSA-N 0 0 318.367 3.213 20 10 DGCDRN COc1ncc(-c2ccn(Cc3ccccc3)c(=O)c2)cc1C ZINC001242431907 1102129647 /nfs/dbraw/zinc/12/96/47/1102129647.db2.gz GKAWDVUKFDYTOI-UHFFFAOYSA-N 0 0 306.365 3.276 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nccn1C(C)C ZINC001199411741 1102135026 /nfs/dbraw/zinc/13/50/26/1102135026.db2.gz DGFMBBHSJXVQRI-UHFFFAOYSA-N 0 0 314.433 3.192 20 10 DGCDRN Cn1ccnc1-c1ccc(-c2ccc(C3=S=CC=C3)nn2)cc1 ZINC001242494242 1102168523 /nfs/dbraw/zinc/16/85/23/1102168523.db2.gz OOKLKEYDTUFMQR-UHFFFAOYSA-N 0 0 318.405 3.170 20 10 DGCDRN COC(=O)c1cc2ccc(-c3ccc(OC)nc3C)cc2n1C ZINC001242928061 1102420681 /nfs/dbraw/zinc/42/06/81/1102420681.db2.gz ODSFCCZIYUVQKP-UHFFFAOYSA-N 0 0 310.353 3.344 20 10 DGCDRN Oc1cccc2c1CN(C(=S)Nc1ccc(F)cc1F)CC2 ZINC001200930251 1102440491 /nfs/dbraw/zinc/44/04/91/1102440491.db2.gz QOBDJELYVBOUAP-UHFFFAOYSA-N 0 0 320.364 3.426 20 10 DGCDRN Fc1ccc(NC(=S)NCc2cccc(Cl)n2)c(F)c1 ZINC001200936925 1102443804 /nfs/dbraw/zinc/44/38/04/1102443804.db2.gz VULRWQAPVROHKO-UHFFFAOYSA-N 0 0 313.760 3.500 20 10 DGCDRN Oc1ccc(CNC(=S)Nc2cccc(Cl)c2)c(O)c1 ZINC001201106970 1102488614 /nfs/dbraw/zinc/48/86/14/1102488614.db2.gz ITQNAYNFJGKDFL-UHFFFAOYSA-N 0 0 308.790 3.238 20 10 DGCDRN S=C(NCc1cccc2ccnn21)Nc1cccc(Cl)c1 ZINC001201108673 1102488980 /nfs/dbraw/zinc/48/89/80/1102488980.db2.gz WIKGFGMFKWRPLR-UHFFFAOYSA-N 0 0 316.817 3.474 20 10 DGCDRN CCc1ccccc1NC(=S)NCc1ncc(F)cc1F ZINC001201153541 1102502338 /nfs/dbraw/zinc/50/23/38/1102502338.db2.gz WFSPTNNVCASBNM-UHFFFAOYSA-N 0 0 307.369 3.409 20 10 DGCDRN O=C(c1cccc2cc[nH]c21)N1CCCc2cc(O)c(O)cc2C1 ZINC001201318819 1102554666 /nfs/dbraw/zinc/55/46/66/1102554666.db2.gz RCHBXYKGQGLBSZ-UHFFFAOYSA-N 0 0 322.364 3.168 20 10 DGCDRN CCOc1ccc(-c2ccc3ccc(=O)n(C)c3c2)c(OCC)n1 ZINC001243156161 1102561072 /nfs/dbraw/zinc/56/10/72/1102561072.db2.gz TXGLMXXCPHWKAW-UHFFFAOYSA-N 0 0 324.380 3.398 20 10 DGCDRN Cc1cc(NC(=O)N2Cc3cccc(O)c3C2)cnc1Cl ZINC001202089037 1102825384 /nfs/dbraw/zinc/82/53/84/1102825384.db2.gz LMNSKBJFFOKBTK-UHFFFAOYSA-N 0 0 303.749 3.297 20 10 DGCDRN Cc1cc(C)c2c(N)c(C(=O)OCC[C@@H]3CCOC3)sc2n1 ZINC001325446914 1103036474 /nfs/dbraw/zinc/03/64/74/1103036474.db2.gz NIPANAARTSLVTL-NSHDSACASA-N 0 0 320.414 3.079 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2noc(-c3n[nH]c(C)n3)n2)cc1 ZINC001212855727 1103066920 /nfs/dbraw/zinc/06/69/20/1103066920.db2.gz CMGPBNJSGULDDW-UHFFFAOYSA-N 0 0 320.356 3.238 20 10 DGCDRN O=C(NCCCSc1nccs1)[C@@H]1CCC[C@H](F)C1 ZINC001325877745 1103144915 /nfs/dbraw/zinc/14/49/15/1103144915.db2.gz GYSZGUMJAYCFLN-MNOVXSKESA-N 0 0 302.440 3.270 20 10 DGCDRN CO[C@@H]1CC[C@H](NC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001326202959 1103233575 /nfs/dbraw/zinc/23/35/75/1103233575.db2.gz YDDOLDYAMSVDSO-FUHWJXTLSA-N 0 0 312.413 3.391 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]23CCOC3)cc1 ZINC001326242426 1103243718 /nfs/dbraw/zinc/24/37/18/1103243718.db2.gz JHVFPSJJKQTXMA-LJQANCHMSA-N 0 0 310.397 3.099 20 10 DGCDRN Cc1cc(NC(=O)Cc2ccc(N)cc2)n(-c2ccc(C)cc2)n1 ZINC001326292770 1103258842 /nfs/dbraw/zinc/25/88/42/1103258842.db2.gz KOQKPBVDNOHPCG-UHFFFAOYSA-N 0 0 320.396 3.253 20 10 DGCDRN COCCn1ccc2c1ncnc2-c1cc(C(C)C)ccc1N ZINC001244209558 1103281025 /nfs/dbraw/zinc/28/10/25/1103281025.db2.gz IRSSTQWINMJKBZ-UHFFFAOYSA-N 0 0 310.401 3.450 20 10 DGCDRN Cc1cc(-c2nccn2C)c(-c2ccc(Cl)c3c[nH]nc32)nn1 ZINC001244385652 1103401894 /nfs/dbraw/zinc/40/18/94/1103401894.db2.gz AWTBNBUXXBUTQK-UHFFFAOYSA-N 0 0 324.775 3.382 20 10 DGCDRN Cc1cc(C)c(N)c(-c2ccn(Cc3cccnc3)c(=O)c2)c1 ZINC001244617650 1103568058 /nfs/dbraw/zinc/56/80/58/1103568058.db2.gz XCLUOFSPJCTERJ-UHFFFAOYSA-N 0 0 305.381 3.158 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CC3(CC3(F)F)C2)c1 ZINC001327607520 1103691886 /nfs/dbraw/zinc/69/18/86/1103691886.db2.gz PGGWSOXZQRDWHP-IWPPJYEWSA-N 0 0 311.328 3.017 20 10 DGCDRN COCCn1ccc2c1ncnc2-c1c(Cl)ccnc1Cl ZINC001244937053 1103771026 /nfs/dbraw/zinc/77/10/26/1103771026.db2.gz ZJPLPHUQVSNOLF-UHFFFAOYSA-N 0 0 323.183 3.447 20 10 DGCDRN Cc1cc(-c2nnc([C@H]3CCCO3)o2)c(C)n1-c1ccccn1 ZINC001327949741 1103776958 /nfs/dbraw/zinc/77/69/58/1103776958.db2.gz QTRQEWKKJASCDW-CQSZACIVSA-N 0 0 310.357 3.391 20 10 DGCDRN COC(=O)c1cnc(-c2cccc(Cl)c2N)c2ccn(C)c21 ZINC001245176834 1103891252 /nfs/dbraw/zinc/89/12/52/1103891252.db2.gz BAOOLOMYRLKDJN-UHFFFAOYSA-N 0 0 315.760 3.263 20 10 DGCDRN Cc1cc(-c2nccn2C)c(-c2cncc(OCC3CC3)c2)nn1 ZINC001245243770 1103931883 /nfs/dbraw/zinc/93/18/83/1103931883.db2.gz KLSKNGMZFBMNKT-UHFFFAOYSA-N 0 0 321.384 3.036 20 10 DGCDRN Cn1c(=O)cc(-c2cncc(OCC3CC3)c2)c2ccccc21 ZINC001245246716 1103933387 /nfs/dbraw/zinc/93/33/87/1103933387.db2.gz GGKSDKQFGMGCQU-UHFFFAOYSA-N 0 0 306.365 3.389 20 10 DGCDRN CC(C)CNC(=S)Nc1ccccc1C(=O)c1ccncc1 ZINC001245255968 1103941945 /nfs/dbraw/zinc/94/19/45/1103941945.db2.gz GBSLOIDJWMDOSB-UHFFFAOYSA-N 0 0 313.426 3.255 20 10 DGCDRN COc1ccc(C[NH2+]C[C@H](CCC(=O)[O-])C(F)(F)F)cc1C ZINC001328488313 1103965680 /nfs/dbraw/zinc/96/56/80/1103965680.db2.gz UZRVJWGSVZPEHA-LBPRGKRZSA-N 0 0 319.323 3.137 20 10 DGCDRN CN(c1ccccc1)c1cc(-c2cnc3c(c2)NCCO3)ncn1 ZINC001245546354 1104115601 /nfs/dbraw/zinc/11/56/01/1104115601.db2.gz DIVOFDCJVNCNAK-UHFFFAOYSA-N 0 0 319.368 3.111 20 10 DGCDRN COc1ccc(-c2cc(=O)n(C)c3ccccc23)c(Cl)n1 ZINC001245878939 1104282652 /nfs/dbraw/zinc/28/26/52/1104282652.db2.gz RZWRKVQZZVSAGC-UHFFFAOYSA-N 0 0 300.745 3.263 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)NC[C@@H]1C=CCC1 ZINC001246266473 1104466170 /nfs/dbraw/zinc/46/61/70/1104466170.db2.gz NIIIYWCGTSRFEB-CYBMUJFWSA-N 0 0 300.402 3.036 20 10 DGCDRN COc1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3C2CCCC2)cc1 ZINC001274791604 1104492010 /nfs/dbraw/zinc/49/20/10/1104492010.db2.gz VOOKCZVJLAXAKM-QZTJIDSGSA-N 0 0 314.429 3.208 20 10 DGCDRN CC[C@H](C)N1CC[C@]2(CCCN2c2ccc(OC)c(F)c2)C1=O ZINC001274862036 1104524104 /nfs/dbraw/zinc/52/41/04/1104524104.db2.gz PNSQKGRRIAXJGU-SCLBCKFNSA-N 0 0 320.408 3.204 20 10 DGCDRN C[C@@H](NC(=O)Nc1cc(C(C)(C)C)nn1C)c1ccccc1O ZINC001330657684 1104608739 /nfs/dbraw/zinc/60/87/39/1104608739.db2.gz NADGSCAOVZBSKV-LLVKDONJSA-N 0 0 316.405 3.306 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2noc([C@H]3CCC(=O)N3)n2)cc1 ZINC001247433859 1104901711 /nfs/dbraw/zinc/90/17/11/1104901711.db2.gz KHTXUKBSLXLYTQ-OAHLLOKOSA-N 0 0 322.368 3.095 20 10 DGCDRN Fc1cc(F)c(NC(=S)NCc2ncccc2F)c(F)c1 ZINC001247435685 1104902199 /nfs/dbraw/zinc/90/21/99/1104902199.db2.gz BOLIQGLDQRENPU-UHFFFAOYSA-N 0 0 315.295 3.125 20 10 DGCDRN Oc1ccc(Cc2nc(-c3cccc4cnccc43)no2)cc1O ZINC001247959804 1105021754 /nfs/dbraw/zinc/02/17/54/1105021754.db2.gz YODMGHWUXLCGNF-UHFFFAOYSA-N 0 0 319.320 3.287 20 10 DGCDRN Nc1ccc(Cc2nc(-c3ccc4c(c3)CCCC4=O)no2)cc1 ZINC001248182954 1105062662 /nfs/dbraw/zinc/06/26/62/1105062662.db2.gz ACRNZTLMQBTDLV-UHFFFAOYSA-N 0 0 319.364 3.429 20 10 DGCDRN Nc1ccc(Cc2nc(-c3cccc(-n4cccn4)c3)no2)cc1 ZINC001248184509 1105062689 /nfs/dbraw/zinc/06/26/89/1105062689.db2.gz YAQFPFHPISQKBB-UHFFFAOYSA-N 0 0 317.352 3.095 20 10 DGCDRN Nc1ccc(Cc2nc(-c3ccc(C(F)(F)F)nc3)no2)cc1 ZINC001248184596 1105062984 /nfs/dbraw/zinc/06/29/84/1105062984.db2.gz ZYLYUWVUVPYUBJ-UHFFFAOYSA-N 0 0 320.274 3.323 20 10 DGCDRN Nc1ccc(Cc2nc(-c3ccc4c(c3)C(=O)CCC4)no2)cc1 ZINC001248183577 1105063088 /nfs/dbraw/zinc/06/30/88/1105063088.db2.gz KGSBAVBKZFITBI-UHFFFAOYSA-N 0 0 319.364 3.429 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1CC12CCC2 ZINC001248470977 1105117407 /nfs/dbraw/zinc/11/74/07/1105117407.db2.gz FPFGUSQHWNOBGD-KRWDZBQOSA-N 0 0 313.445 3.371 20 10 DGCDRN Fc1ccc(F)c(NC(=S)NCc2ncccc2Cl)c1 ZINC001248614328 1105136482 /nfs/dbraw/zinc/13/64/82/1105136482.db2.gz JIMNWKKCBHBLPK-UHFFFAOYSA-N 0 0 313.760 3.500 20 10 DGCDRN C[C@H]1C(=O)N(C)CCN1Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001248883670 1105186711 /nfs/dbraw/zinc/18/67/11/1105186711.db2.gz MWTXYAKQWHNSDV-NSHDSACASA-N 0 0 324.852 3.006 20 10 DGCDRN Oc1ccc(CCc2nc(-c3cc(F)cc(F)c3)no2)cc1O ZINC001248983831 1105208700 /nfs/dbraw/zinc/20/87/00/1105208700.db2.gz HTASAZCMRRFVDC-UHFFFAOYSA-N 0 0 318.279 3.211 20 10 DGCDRN C[C@H](NC(=S)NCc1ccccc1O)c1ccc(F)cc1 ZINC001249614702 1105332672 /nfs/dbraw/zinc/33/26/72/1105332672.db2.gz ZLHAPKKZWSROGU-NSHDSACASA-N 0 0 304.390 3.257 20 10 DGCDRN Cc1cc(CN2CCC(=O)C[C@H]2C)c(O)cc1Br ZINC001250120559 1105445778 /nfs/dbraw/zinc/44/57/78/1105445778.db2.gz IQPLDMVLPANSKJ-SNVBAGLBSA-N 0 0 312.207 3.017 20 10 DGCDRN CC[C@H]1COCCN1Cc1cc(C)c(Br)cc1O ZINC001250134204 1105450857 /nfs/dbraw/zinc/45/08/57/1105450857.db2.gz XKPFIXZOUFOJRS-LBPRGKRZSA-N 0 0 314.223 3.074 20 10 DGCDRN COc1cc(-c2nc3c([nH]2)c(F)cc(F)c3F)cc(O)c1O ZINC001250488088 1105522764 /nfs/dbraw/zinc/52/27/64/1105522764.db2.gz CHXPOELHKXAPRL-UHFFFAOYSA-N 0 0 310.231 3.067 20 10 DGCDRN O=C(NCc1ccccc1O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001137471310 1105527751 /nfs/dbraw/zinc/52/77/51/1105527751.db2.gz GGLFYBWTSJMOIX-UHFFFAOYSA-N 0 0 324.695 3.023 20 10 DGCDRN CCCn1c2cc(F)ccc2nc1-c1cc(O)c(O)c(O)c1 ZINC001251248502 1105644550 /nfs/dbraw/zinc/64/45/50/1105644550.db2.gz UZPUDRKIHUBFGE-UHFFFAOYSA-N 0 0 302.305 3.369 20 10 DGCDRN CCn1c2ccc3ncccc3c2nc1-c1cc(O)c(O)cc1O ZINC001251355637 1105652750 /nfs/dbraw/zinc/65/27/50/1105652750.db2.gz YBOONADCVBEDAO-UHFFFAOYSA-N 0 0 321.336 3.388 20 10 DGCDRN CCCC[C@@H](O)CN1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001252090710 1105737330 /nfs/dbraw/zinc/73/73/30/1105737330.db2.gz YQFKSAAMDAHOLN-CQSZACIVSA-N 0 0 316.445 3.096 20 10 DGCDRN CCCCOC[C@H](O)CNc1ccccc1OCC(F)(F)F ZINC001252524502 1105789120 /nfs/dbraw/zinc/78/91/20/1105789120.db2.gz MASXEJUREZVAQE-GFCCVEGCSA-N 0 0 321.339 3.217 20 10 DGCDRN CC(C)OC[C@@H](O)CNc1cccc2c1C(=O)c1ccccc1-2 ZINC001252687002 1105815768 /nfs/dbraw/zinc/81/57/68/1105815768.db2.gz LWAKGBJNJGONHT-ZDUSSCGKSA-N 0 0 311.381 3.096 20 10 DGCDRN CCCC[C@H](CC)COC[C@H](O)CNc1cccc(O)c1O ZINC001253017930 1105877230 /nfs/dbraw/zinc/87/72/30/1105877230.db2.gz ZEXKYAPBXVXUKN-UONOGXRCSA-N 0 0 311.422 3.104 20 10 DGCDRN Cc1cc(C)c(CNS(=O)(=O)/C=C/c2ccccc2)c(O)c1 ZINC001253083377 1105885763 /nfs/dbraw/zinc/88/57/63/1105885763.db2.gz MUJZWOCLVCXIMF-CMDGGOBGSA-N 0 0 317.410 3.099 20 10 DGCDRN COc1cccc(-c2nnc(/C=C/c3ccc(O)c(O)c3)o2)c1 ZINC001253287091 1105919424 /nfs/dbraw/zinc/91/94/24/1105919424.db2.gz SKXFSYDVUFPNIR-SOFGYWHQSA-N 0 0 310.309 3.327 20 10 DGCDRN Oc1cccc(-c2nnc(Cc3ccc(Cl)cc3)o2)c1O ZINC001254230372 1106041058 /nfs/dbraw/zinc/04/10/58/1106041058.db2.gz WQNYHPNLUPGXPO-UHFFFAOYSA-N 0 0 302.717 3.392 20 10 DGCDRN Oc1ccc(Cc2nc(-c3ccc(Cl)cc3)no2)cc1O ZINC000473249377 1106153611 /nfs/dbraw/zinc/15/36/11/1106153611.db2.gz WCHKPUNLFUXURP-UHFFFAOYSA-N 0 0 302.717 3.392 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)C[C@H](C)CC)CC2)cc1 ZINC001320818093 1107149479 /nfs/dbraw/zinc/14/94/79/1107149479.db2.gz VRYGGJXAQLWCKZ-OAHLLOKOSA-N 0 0 304.434 3.170 20 10 DGCDRN Cc1ccccc1CC(=O)Nc1c2nonc2ccc1Cl ZINC001320978615 1107211743 /nfs/dbraw/zinc/21/17/43/1107211743.db2.gz PEOPQVUAVLPOGB-UHFFFAOYSA-N 0 0 301.733 3.366 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C(C)(C)Oc2ccccc2)cc1 ZINC001322094055 1107507205 /nfs/dbraw/zinc/50/72/05/1107507205.db2.gz XRQHTFMBVDHBLJ-UHFFFAOYSA-N 0 0 312.413 3.226 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCCCO)c1 ZINC001322260982 1107600262 /nfs/dbraw/zinc/60/02/62/1107600262.db2.gz JFOXQNZEYTWJOJ-UHFFFAOYSA-N 0 0 320.820 3.250 20 10 DGCDRN CC[C@@H](F)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC001262605538 1107737790 /nfs/dbraw/zinc/73/77/90/1107737790.db2.gz CXJWTAQNCQVXOS-IAGOWNOFSA-N 0 0 322.424 3.008 20 10 DGCDRN C[C@@H]1C[C@H](C)CCN(c2nnc(C3SC=CC3=O)n2C)C1 ZINC001262854823 1107846274 /nfs/dbraw/zinc/84/62/74/1107846274.db2.gz XJRYBCXNPMGPBJ-GHMZBOCLSA-N 0 0 306.435 3.122 20 10 DGCDRN CCOc1ccc(CNc2ccc(C(=O)NC)cc2C)c(O)c1 ZINC001323298382 1107923071 /nfs/dbraw/zinc/92/30/71/1107923071.db2.gz RHUKFVHKLPINSV-UHFFFAOYSA-N 0 0 314.385 3.071 20 10 DGCDRN CN(C)c1ccc(CN(C(=S)NCC2CCC2)C2CC2)cc1 ZINC001318378549 1107968003 /nfs/dbraw/zinc/96/80/03/1107968003.db2.gz CCHQSDRBWZTOIR-UHFFFAOYSA-N 0 0 317.502 3.392 20 10 DGCDRN COc1cccc(CNC(=O)[C@H](C)c2ccc(F)c(F)c2)c1O ZINC001318781119 1108194832 /nfs/dbraw/zinc/19/48/32/1108194832.db2.gz XUHYIAVNHUQMDA-SNVBAGLBSA-N 0 0 321.323 3.099 20 10 DGCDRN CCCCN1C(=O)C2(CCCCC2)N[C@H]1c1cc(O)ccc1O ZINC001318851708 1108217261 /nfs/dbraw/zinc/21/72/61/1108217261.db2.gz VNXWRTLWJFOBLX-MRXNPFEDSA-N 0 0 318.417 3.031 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCC[C@H]1CCc2ccccc21 ZINC001324511908 1108322877 /nfs/dbraw/zinc/32/28/77/1108322877.db2.gz AMHNZOHBARJAKX-VGZDNEPHSA-N 0 0 323.392 3.347 20 10 DGCDRN CC(C)(C)[NH+]1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC001324535849 1108332384 /nfs/dbraw/zinc/33/23/84/1108332384.db2.gz AUDUDRCQWAISNU-UHFFFAOYSA-N 0 0 300.805 3.101 20 10 DGCDRN CCC[C@@H](C)C(=O)N1CCN(c2ccc(OCC)cc2)CC1 ZINC001319382281 1108438761 /nfs/dbraw/zinc/43/87/61/1108438761.db2.gz XNODFUAVLHCPIL-OAHLLOKOSA-N 0 0 304.434 3.170 20 10 DGCDRN O=C(NC/C=C\C1CC1)NCc1c(O)ccc2c1CCCC2 ZINC001324734992 1108446709 /nfs/dbraw/zinc/44/67/09/1108446709.db2.gz JIOUHOBEHOPEQX-ARJAWSKDSA-N 0 0 300.402 3.036 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)c1cc(Cl)ccn1 ZINC001324859735 1108488083 /nfs/dbraw/zinc/48/80/83/1108488083.db2.gz WRNLZMKKBDPXDN-UHFFFAOYSA-N 0 0 309.112 3.177 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)c2c[nH]c(C3CC3)n2)C2CC2)cc1 ZINC001319593863 1108542904 /nfs/dbraw/zinc/54/29/04/1108542904.db2.gz JGZXSQBBACQXQE-UHFFFAOYSA-N 0 0 324.428 3.158 20 10 DGCDRN Cc1cc(NC(=O)c2ccc(C3=S=CC=C3)s2)sn1 ZINC001325193207 1108591291 /nfs/dbraw/zinc/59/12/91/1108591291.db2.gz JVTHVVQRWGTJMH-UHFFFAOYSA-N 0 0 306.437 3.391 20 10 DGCDRN C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)n1cccc1 ZINC001319829875 1108655457 /nfs/dbraw/zinc/65/54/57/1108655457.db2.gz GRJMNTYWSHNCQQ-OAHLLOKOSA-N 0 0 311.429 3.306 20 10 DGCDRN CCCNC(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC001290216275 1110238319 /nfs/dbraw/zinc/23/83/19/1110238319.db2.gz COXBPYHYCCQVRB-UHFFFAOYSA-N 0 0 300.402 3.055 20 10 DGCDRN C[C@H](NC(=O)Cc1c[nH]c2cc(F)ccc12)c1ccccc1O ZINC001302532653 1111117371 /nfs/dbraw/zinc/11/73/71/1111117371.db2.gz NBKDKRHCLDLGRT-NSHDSACASA-N 0 0 312.344 3.433 20 10 DGCDRN CCON(CC)C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC001302621727 1111119772 /nfs/dbraw/zinc/11/97/72/1111119772.db2.gz HDNCAYXDKSGTHO-UHFFFAOYSA-N 0 0 318.417 3.318 20 10 DGCDRN CCn1c(C(=O)NCc2cccc(O)c2O)cc2ccccc21 ZINC001303193799 1111136644 /nfs/dbraw/zinc/13/66/44/1111136644.db2.gz SXRNWRCDLFQZCW-UHFFFAOYSA-N 0 0 310.353 3.002 20 10 DGCDRN CC(C)(C(=O)NCc1c(O)cccc1F)c1ccc(F)cc1 ZINC001303878620 1111156674 /nfs/dbraw/zinc/15/66/74/1111156674.db2.gz PLHSNRUXNVIAHG-UHFFFAOYSA-N 0 0 305.324 3.264 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1conc1C1CC1 ZINC001304090428 1111166043 /nfs/dbraw/zinc/16/60/43/1111166043.db2.gz HTXHMSWYFDBRSD-UHFFFAOYSA-N 0 0 308.337 3.341 20 10 DGCDRN Cc1nc2ccccn2c1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001308547303 1111441101 /nfs/dbraw/zinc/44/11/01/1111441101.db2.gz WPNFCPQTRZWAAS-UHFFFAOYSA-N 0 0 319.767 3.431 20 10 DGCDRN CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(F)c(F)c2[O-])C12CCC2 ZINC001308607083 1111450062 /nfs/dbraw/zinc/45/00/62/1111450062.db2.gz KNEDZUNNAWCGNT-KGLIPLIRSA-N 0 0 311.372 3.450 20 10 DGCDRN [O-]c1c(F)cc(F)cc1CN1CC[NH+](CC2CCCCC2)CC1 ZINC001308662754 1111457657 /nfs/dbraw/zinc/45/76/57/1111457657.db2.gz KNTHNZKANZUQBP-UHFFFAOYSA-N 0 0 324.415 3.368 20 10 DGCDRN Cc1cccc2c1OC[C@H]([NH2+]Cc1cc(F)c(F)cc1[O-])C2 ZINC001308801034 1111477378 /nfs/dbraw/zinc/47/73/78/1111477378.db2.gz FVEHBGKUEKQDGV-CYBMUJFWSA-N 0 0 305.324 3.072 20 10 DGCDRN C[C@H]1CCCN(Cc2cc(F)ccc2O)[C@H]1C(=O)OC(C)(C)C ZINC001308829744 1111480797 /nfs/dbraw/zinc/48/07/97/1111480797.db2.gz WZEJYJJMOXJFBC-BLLLJJGKSA-N 0 0 323.408 3.474 20 10 DGCDRN C[C@H]1CCCN(Cc2cc(F)ccc2O)[C@@H]1C(=O)OC(C)(C)C ZINC001308829746 1111481119 /nfs/dbraw/zinc/48/11/19/1111481119.db2.gz WZEJYJJMOXJFBC-LRDDRELGSA-N 0 0 323.408 3.474 20 10 DGCDRN C[C@@H]1CCCN(Cc2cc(F)ccc2O)[C@@H]1C(=O)OC(C)(C)C ZINC001308829751 1111481165 /nfs/dbraw/zinc/48/11/65/1111481165.db2.gz WZEJYJJMOXJFBC-WBMJQRKESA-N 0 0 323.408 3.474 20 10 DGCDRN C[N@@H+]1CCN(Cc2cc(Cl)cc(F)c2[O-])CCC1(C)C ZINC001308887034 1111489353 /nfs/dbraw/zinc/48/93/53/1111489353.db2.gz PUZRMFUBWSUGLI-UHFFFAOYSA-N 0 0 300.805 3.101 20 10 DGCDRN CC(C)(C)OC(=O)CCCC[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001308899788 1111490608 /nfs/dbraw/zinc/49/06/08/1111490608.db2.gz BVYHNYKDXOMSCX-UHFFFAOYSA-N 0 0 315.360 3.272 20 10 DGCDRN COC[C@@H](C)OC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC001309080444 1111510864 /nfs/dbraw/zinc/51/08/64/1111510864.db2.gz QVAGUOZBWYZPPF-CQSZACIVSA-N 0 0 308.422 3.135 20 10 DGCDRN Cc1cc(Cl)ccc1S(=O)(=O)N1Cc2cccc(O)c2C1 ZINC001309789311 1111540152 /nfs/dbraw/zinc/54/01/52/1111540152.db2.gz DZAIEBVXHFXZPY-UHFFFAOYSA-N 0 0 323.801 3.059 20 10 DGCDRN Cc1ccc(NC(=O)NCc2cccc(Cl)c2O)c(C)n1 ZINC001310403281 1111558508 /nfs/dbraw/zinc/55/85/08/1111558508.db2.gz MAACVPUJVROUAC-UHFFFAOYSA-N 0 0 305.765 3.379 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)NC1CC=CC1 ZINC001310899479 1111574939 /nfs/dbraw/zinc/57/49/39/1111574939.db2.gz YSGUUYPNMIKBRP-UHFFFAOYSA-N 0 0 319.368 3.236 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Nc1ccc2occc(=O)c2c1 ZINC001311335091 1111595888 /nfs/dbraw/zinc/59/58/88/1111595888.db2.gz FMYLBNSJXLWWGE-UHFFFAOYSA-N 0 0 324.336 3.163 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCC2C(C)(C)C2(C)C)cc1 ZINC001311544695 1111607206 /nfs/dbraw/zinc/60/72/06/1111607206.db2.gz VOTMPSJYEJWTET-UHFFFAOYSA-N 0 0 303.450 3.234 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N[C@@H]3CCCC34CC4)ccc21 ZINC001311728604 1111616231 /nfs/dbraw/zinc/61/62/31/1111616231.db2.gz SCLBNUNKDJJUAP-QGZVFWFLSA-N 0 0 313.445 3.201 20 10 DGCDRN Cc1cc(C(=O)NC[C@H](C)C[C@H](C)O)c(C)n1-c1ccccc1 ZINC000077052688 185079223 /nfs/dbraw/zinc/07/92/23/185079223.db2.gz QZAFUAREDIVTFO-HIFRSBDPSA-N 0 0 314.429 3.231 20 10 DGCDRN CCc1cncc(C(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000348701624 529667138 /nfs/dbraw/zinc/66/71/38/529667138.db2.gz QYRULPOHFAZLAI-UHFFFAOYSA-N 0 0 307.397 3.374 20 10 DGCDRN COc1ccc(N2CCN(c3ccc(Cl)cn3)CC2)cc1 ZINC000090345064 185292075 /nfs/dbraw/zinc/29/20/75/185292075.db2.gz HZIBYNZHXGEFEI-UHFFFAOYSA-N 0 0 303.793 3.070 20 10 DGCDRN CCOc1cccc(CN2CCCC[C@@H]2c2ncc[nH]2)c1O ZINC000092729054 185336412 /nfs/dbraw/zinc/33/64/12/185336412.db2.gz MCBWGNWFDCXFMX-CQSZACIVSA-N 0 0 301.390 3.241 20 10 DGCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)C2CC2)cc1 ZINC000103413753 432009540 /nfs/dbraw/zinc/00/95/40/432009540.db2.gz QMEWRTBVGTYANU-UHFFFAOYSA-N 0 0 300.324 3.054 20 10 DGCDRN COc1cccc(CNC(=O)NCCC2=CCCCC2)c1O ZINC000080541262 192165551 /nfs/dbraw/zinc/16/55/51/192165551.db2.gz CKPSGGHQYBLYEN-UHFFFAOYSA-N 0 0 304.390 3.091 20 10 DGCDRN C[C@@H](CCOc1ccccc1)C(=O)N(C)Cc1ccccc1O ZINC000072700977 191217539 /nfs/dbraw/zinc/21/75/39/191217539.db2.gz CDPNQKIBEFFKCX-HNNXBMFYSA-N 0 0 313.397 3.456 20 10 DGCDRN C[C@@H](CCC[NH2+]Cc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000277456801 295855470 /nfs/dbraw/zinc/85/54/70/295855470.db2.gz VIACLDZXUMBXRK-HNNXBMFYSA-N 0 0 304.434 3.267 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CCCCOC)cc1F ZINC000078582145 191888666 /nfs/dbraw/zinc/88/86/66/191888666.db2.gz WQWZCPXZYLXXHE-UHFFFAOYSA-N 0 0 310.413 3.105 20 10 DGCDRN CC(C)=CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000081203146 192235977 /nfs/dbraw/zinc/23/59/77/192235977.db2.gz OOQHBRIHZKXIEU-ZDUSSCGKSA-N 0 0 324.371 3.339 20 10 DGCDRN CCCCO[C@@H]1C[C@H](N(C)C(=O)Cc2ccc(N)cc2)C1(C)C ZINC000236851846 202038065 /nfs/dbraw/zinc/03/80/65/202038065.db2.gz FKGKIHLAHCHUIP-DLBZAZTESA-N 0 0 318.461 3.254 20 10 DGCDRN CCCCO[C@H]1C[C@@H](N(C)C(=O)Cc2ccc(N)cc2)C1(C)C ZINC000236862655 202042352 /nfs/dbraw/zinc/04/23/52/202042352.db2.gz FKGKIHLAHCHUIP-SJORKVTESA-N 0 0 318.461 3.254 20 10 DGCDRN C[C@@H](c1ccccc1)N(Cc1ncnn1C)Cc1ccccc1O ZINC000179646493 432065711 /nfs/dbraw/zinc/06/57/11/432065711.db2.gz BEFOAGDONRMQNL-HNNXBMFYSA-N 0 0 322.412 3.284 20 10 DGCDRN C[C@H]([NH2+]CC1(CCO)CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273624184 299279323 /nfs/dbraw/zinc/27/93/23/299279323.db2.gz ZZTGWQKNULVTNH-ZDUSSCGKSA-N 0 0 322.405 3.284 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc(F)c(F)c1[O-] ZINC000276972999 299310988 /nfs/dbraw/zinc/31/09/88/299310988.db2.gz ULSZQIZZWAPDOX-WDEREUQCSA-N 0 0 313.344 3.007 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)C[C@H]3CCCO3)cc2)CC1 ZINC000170974855 432090438 /nfs/dbraw/zinc/09/04/38/432090438.db2.gz ILYRNGGWDMODTK-GOSISDBHSA-N 0 0 316.445 3.108 20 10 DGCDRN CCNC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000006311814 181328288 /nfs/dbraw/zinc/32/82/88/181328288.db2.gz SZKRSRAAKVTNAP-UHFFFAOYSA-N 0 0 301.390 3.077 20 10 DGCDRN CC(C)[N@H+](Cc1cn2cccnc2n1)Cc1ccc(N(C)C)cc1 ZINC000268549478 432102736 /nfs/dbraw/zinc/10/27/36/432102736.db2.gz ARHAAFIMGDKDRB-UHFFFAOYSA-N 0 0 323.444 3.206 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])c1nncn1C ZINC000278664989 299344880 /nfs/dbraw/zinc/34/48/80/299344880.db2.gz IXRGPURGAWVBAL-YUMQZZPRSA-N 0 0 315.204 3.239 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1cnccc1C ZINC000454881436 242054926 /nfs/dbraw/zinc/05/49/26/242054926.db2.gz YMKXAVNJYHDUMD-UHFFFAOYSA-N 0 0 322.412 3.190 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC1(Cl)Cl ZINC000268653441 432117039 /nfs/dbraw/zinc/11/70/39/432117039.db2.gz RZSXKEFDHNINSI-NSHDSACASA-N 0 0 302.201 3.325 20 10 DGCDRN CS[C@H]1CCN(C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000458746811 243145324 /nfs/dbraw/zinc/14/53/24/243145324.db2.gz QSBHONQWKNLXJN-ZDUSSCGKSA-N 0 0 317.458 3.134 20 10 DGCDRN C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1[O-] ZINC000187700199 296126718 /nfs/dbraw/zinc/12/67/18/296126718.db2.gz NSOTXMGQQLMIHF-SNVBAGLBSA-N 0 0 322.311 3.472 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)COc1ccc(C)cc1 ZINC000471225030 244207735 /nfs/dbraw/zinc/20/77/35/244207735.db2.gz YYRGSFGUOKTLQB-UHFFFAOYSA-N 0 0 322.408 3.490 20 10 DGCDRN CCCCO[C@H](C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000471233788 244210387 /nfs/dbraw/zinc/21/03/87/244210387.db2.gz LTEYYSMHSMBGAT-CQSZACIVSA-N 0 0 302.418 3.308 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000472284907 244296163 /nfs/dbraw/zinc/29/61/63/244296163.db2.gz MVMISWXUZUMKGB-GASCZTMLSA-N 0 0 311.429 3.284 20 10 DGCDRN CCOc1ccc(O)c(CN2CCOC[C@@H]2c2ccc(C)o2)c1 ZINC000093460043 193255269 /nfs/dbraw/zinc/25/52/69/193255269.db2.gz DRPLYWZTWPHBJV-MRXNPFEDSA-N 0 0 317.385 3.266 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C/c2cnc(C)s2)cc1OC ZINC000491872757 245577122 /nfs/dbraw/zinc/57/71/22/245577122.db2.gz WXYVEHCXAKZZSK-SOFGYWHQSA-N 0 0 318.398 3.145 20 10 DGCDRN COc1cc(Cl)c(C)cc1NC(=O)Cc1ccc(N)cc1 ZINC000019991780 182174937 /nfs/dbraw/zinc/17/49/37/182174937.db2.gz DTEKZHIDBOANCN-UHFFFAOYSA-N 0 0 304.777 3.420 20 10 DGCDRN Cc1ccc(N(C)C(=O)/C=C/c2ccccc2-n2cccn2)nc1 ZINC000493589019 246017598 /nfs/dbraw/zinc/01/75/98/246017598.db2.gz ARQXHRWEMRYXCP-PKNBQFBNSA-N 0 0 318.380 3.252 20 10 DGCDRN Cc1ncccc1/C=C/C(=O)N(C[C@@H]1CCCO1)c1ccncc1 ZINC000493822191 246076935 /nfs/dbraw/zinc/07/69/35/246076935.db2.gz MQCJAQTVRAZZGJ-DKFQHHCZSA-N 0 0 323.396 3.010 20 10 DGCDRN C[C@@H](NCc1nccn1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268953394 432147989 /nfs/dbraw/zinc/14/79/89/432147989.db2.gz YEXFULPHUMXESH-CQSZACIVSA-N 0 0 316.424 3.400 20 10 DGCDRN COc1cccc(CNC(=O)[C@@H](C)OC2CCCCCC2)c1O ZINC000131044089 533504046 /nfs/dbraw/zinc/50/40/46/533504046.db2.gz WWNADGBXBFVPNM-CYBMUJFWSA-N 0 0 321.417 3.145 20 10 DGCDRN CC(C)[C@@H]1C[C@@H](CC(=O)NCc2ccc(N(C)C)cc2)CCO1 ZINC000273030696 130083776 /nfs/dbraw/zinc/08/37/76/130083776.db2.gz YAVDGLALBGTPFQ-WMZOPIPTSA-N 0 0 318.461 3.210 20 10 DGCDRN CC(C)[C@H]1C[C@@H](CC(=O)NCc2ccc(N(C)C)cc2)CCO1 ZINC000273030694 130084048 /nfs/dbraw/zinc/08/40/48/130084048.db2.gz YAVDGLALBGTPFQ-FUHWJXTLSA-N 0 0 318.461 3.210 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273430973 130120278 /nfs/dbraw/zinc/12/02/78/130120278.db2.gz VOJDUUFBEIPSOI-GFCCVEGCSA-N 0 0 315.373 3.217 20 10 DGCDRN CC[C@@H]([NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-])c1ccncc1 ZINC000273587982 130141092 /nfs/dbraw/zinc/14/10/92/130141092.db2.gz OJKGYCIYYHIGNX-MLGOLLRUSA-N 0 0 314.385 3.376 20 10 DGCDRN CCc1noc(CC)c1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273604012 130142762 /nfs/dbraw/zinc/14/27/62/130142762.db2.gz SODYCJPMUAYXSF-JTQLQIEISA-N 0 0 319.361 3.264 20 10 DGCDRN COCc1nc(CN[C@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000274798552 130262643 /nfs/dbraw/zinc/26/26/43/130262643.db2.gz OBAMAXFAUWIRCI-GFCCVEGCSA-N 0 0 305.447 3.206 20 10 DGCDRN C[C@@H](N[C@H](C)c1ccc(N2CCCCC2)cc1)c1ncn(C)n1 ZINC000275789632 130385988 /nfs/dbraw/zinc/38/59/88/130385988.db2.gz XANCGFKWSWPGCP-HUUCEWRRSA-N 0 0 313.449 3.217 20 10 DGCDRN C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1[O-] ZINC000276858223 130553481 /nfs/dbraw/zinc/55/34/81/130553481.db2.gz CFIHLWBCGZELHX-JTQLQIEISA-N 0 0 322.311 3.472 20 10 DGCDRN Cc1sc(CC(=O)NCc2ccccc2O)nc1C(C)C ZINC000279410608 130746795 /nfs/dbraw/zinc/74/67/95/130746795.db2.gz IWNAQXAGDNQMRT-UHFFFAOYSA-N 0 0 304.415 3.139 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1ccc(F)cc1[O-] ZINC000285820584 131204575 /nfs/dbraw/zinc/20/45/75/131204575.db2.gz WKEOGOQYZCQVBN-HUUCEWRRSA-N 0 0 306.381 3.468 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccnc(OC)c1 ZINC000287264901 131271848 /nfs/dbraw/zinc/27/18/48/131271848.db2.gz IQOKALODFGJRFY-UHFFFAOYSA-N 0 0 315.373 3.240 20 10 DGCDRN CC(=O)C(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000289538281 131394888 /nfs/dbraw/zinc/39/48/88/131394888.db2.gz FHJQTVWXDGDISL-UHFFFAOYSA-N 0 0 314.181 3.261 20 10 DGCDRN COc1ccc(F)cc1/C=C1\SC(=S)N(C2CC2)C1=O ZINC000291296615 131558418 /nfs/dbraw/zinc/55/84/18/131558418.db2.gz BUVPFRLRHPSMOR-GHXNOFRVSA-N 0 0 309.387 3.198 20 10 DGCDRN Cc1cc(Cn2cccc(C(F)(F)F)c2=O)ccc1N(C)C ZINC000292554223 131658361 /nfs/dbraw/zinc/65/83/61/131658361.db2.gz CJGNVOKWDBCPLT-UHFFFAOYSA-N 0 0 310.319 3.290 20 10 DGCDRN CN(C)c1ccc(CNCc2cc(F)cnc2Cl)cc1F ZINC000294675411 131851866 /nfs/dbraw/zinc/85/18/66/131851866.db2.gz AVOBTCNFBNNPFF-UHFFFAOYSA-N 0 0 311.763 3.369 20 10 DGCDRN CCN(Cc1cccc(S(C)(=O)=O)c1)c1ccc(OC)cc1 ZINC000295724365 131918037 /nfs/dbraw/zinc/91/80/37/131918037.db2.gz UWMXTWPMPODDEF-UHFFFAOYSA-N 0 0 319.426 3.125 20 10 DGCDRN COc1ccccc1C[C@H](C)CC(=O)NCc1ccc(N)cc1 ZINC000296818417 131988171 /nfs/dbraw/zinc/98/81/71/131988171.db2.gz AJQKDZAINJWFDM-AWEZNQCLSA-N 0 0 312.413 3.163 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NOCC1CC1 ZINC000297285770 132007586 /nfs/dbraw/zinc/00/75/86/132007586.db2.gz JTODLYPTGMKFQO-UHFFFAOYSA-N 0 0 317.433 3.160 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@@H](OC)C1CC1 ZINC000297471734 132017653 /nfs/dbraw/zinc/01/76/53/132017653.db2.gz LRHAUFFKTZFWHN-QGZVFWFLSA-N 0 0 320.433 3.129 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NC[C@H]1CCCCC1(F)F ZINC000297563331 132022553 /nfs/dbraw/zinc/02/25/53/132022553.db2.gz KPVXHHKTKGSHEM-CYBMUJFWSA-N 0 0 312.360 3.359 20 10 DGCDRN CC(C)OCCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000298306038 132055713 /nfs/dbraw/zinc/05/57/13/132055713.db2.gz CKKDLXDQRWVGBQ-UHFFFAOYSA-N 0 0 318.461 3.450 20 10 DGCDRN CC(C)c1ncncc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000298916784 132082517 /nfs/dbraw/zinc/08/25/17/132082517.db2.gz AEJOLCQGEUXPGV-UHFFFAOYSA-N 0 0 324.428 3.130 20 10 DGCDRN COc1ccc(C)cc1[C@@H](C)NC(=O)NCc1ccccc1O ZINC000299498685 132108251 /nfs/dbraw/zinc/10/82/51/132108251.db2.gz LEESIVMAHPHIAL-CYBMUJFWSA-N 0 0 314.385 3.270 20 10 DGCDRN Cc1ccc(C(=O)N(C)C)cc1NCc1ccc(N(C)C)cc1 ZINC000121892917 132160491 /nfs/dbraw/zinc/16/04/91/132160491.db2.gz MATXQEBBNXEYDY-UHFFFAOYSA-N 0 0 311.429 3.375 20 10 DGCDRN Cc1cc([N+](=O)[O-])cnc1NCc1c(O)ccc2c1CCCC2 ZINC000092657999 400191537 /nfs/dbraw/zinc/19/15/37/400191537.db2.gz ZVISUGDFNBTANT-UHFFFAOYSA-N 0 0 313.357 3.495 20 10 DGCDRN O=S(=O)(Nc1ccc(O)cc1)c1cc(Cl)cc(Cl)c1 ZINC000033656409 400383726 /nfs/dbraw/zinc/38/37/26/400383726.db2.gz AWEXSQAIUYWSEC-UHFFFAOYSA-N 0 0 318.181 3.500 20 10 DGCDRN O=[N+]([O-])c1ccccc1/C=C/CN1C[C@H](CO)Cc2ccccc21 ZINC000590049639 400350787 /nfs/dbraw/zinc/35/07/87/400350787.db2.gz XLWWQYUPNNQILR-SBJJXXPASA-N 0 0 324.380 3.279 20 10 DGCDRN CC(C)Oc1cccc(CC(=O)N(C)Cc2ccccc2O)c1 ZINC000070822464 400358493 /nfs/dbraw/zinc/35/84/93/400358493.db2.gz DWZUMPVBSJLDLQ-UHFFFAOYSA-N 0 0 313.397 3.381 20 10 DGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1(C)CCCC1 ZINC000070904308 400360292 /nfs/dbraw/zinc/36/02/92/400360292.db2.gz POBCFQDIDPSPQS-UHFFFAOYSA-N 0 0 316.445 3.062 20 10 DGCDRN Cc1cc(C(=O)NC[C@H]2CCOC2)c(C)n1-c1cccc(C)c1 ZINC000042726946 400440293 /nfs/dbraw/zinc/44/02/93/400440293.db2.gz ZPIKHHZRAGLPCC-MRXNPFEDSA-N 0 0 312.413 3.169 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2nc(C3CC3)cs2)cc1 ZINC000043648797 400474865 /nfs/dbraw/zinc/47/48/65/400474865.db2.gz LHLDEMUJFQFQMB-UHFFFAOYSA-N 0 0 316.430 3.408 20 10 DGCDRN C[C@H](CCc1ccco1)NC(=O)N(C)Cc1ccccc1O ZINC000043725357 400476527 /nfs/dbraw/zinc/47/65/27/400476527.db2.gz NZWAKBJWUBYMJB-CYBMUJFWSA-N 0 0 302.374 3.148 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCC1(c2ccccc2)CC1 ZINC000045376777 400519624 /nfs/dbraw/zinc/51/96/24/400519624.db2.gz KDGJCMFYCXUDFZ-UHFFFAOYSA-N 0 0 310.397 3.265 20 10 DGCDRN Cc1cc(NCCCSc2nccs2)ncc1[N+](=O)[O-] ZINC000074751280 400532284 /nfs/dbraw/zinc/53/22/84/400532284.db2.gz KTTVOKVQFWXBMP-UHFFFAOYSA-N 0 0 310.404 3.349 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CC3(CCCC3)OC[C@H]2C)c1O ZINC000852637022 620635967 /nfs/dbraw/zinc/63/59/67/620635967.db2.gz AQYADLOZDKPWJU-GFCCVEGCSA-N 0 0 321.392 3.267 20 10 DGCDRN CSCC1(CC(=O)N2CCOc3cc(N(C)C)ccc32)CC1 ZINC000593075188 400753854 /nfs/dbraw/zinc/75/38/54/400753854.db2.gz BVDPHUVTISYCDQ-UHFFFAOYSA-N 0 0 320.458 3.011 20 10 DGCDRN O=C(CC1CCCCC1)NCc1ccc(N2CCOCC2)cc1 ZINC000054285334 400816548 /nfs/dbraw/zinc/81/65/48/400816548.db2.gz CFNXSMWISPLENN-UHFFFAOYSA-N 0 0 316.445 3.110 20 10 DGCDRN COCSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000078415341 400798520 /nfs/dbraw/zinc/79/85/20/400798520.db2.gz UXPHNLCJZXWTTJ-AWEZNQCLSA-N 0 0 304.415 3.425 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)CCOc2ccccc2)cc1 ZINC000060678729 401132573 /nfs/dbraw/zinc/13/25/73/401132573.db2.gz PNVGZKKCQPBCAV-UHFFFAOYSA-N 0 0 312.413 3.180 20 10 DGCDRN C[C@H](Oc1ccccc1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000060678694 401132791 /nfs/dbraw/zinc/13/27/91/401132791.db2.gz STEXIOIGYPHCNB-HNNXBMFYSA-N 0 0 312.413 3.179 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1c(F)cccc1F ZINC000084406005 401139703 /nfs/dbraw/zinc/13/97/03/401139703.db2.gz FJNNKXBMXQGYJG-UHFFFAOYSA-N 0 0 317.335 3.479 20 10 DGCDRN OCC1CCN(c2ccc(CNc3ncccc3F)cc2)CC1 ZINC000084484421 401142979 /nfs/dbraw/zinc/14/29/79/401142979.db2.gz WZINEKQYDDFVKU-UHFFFAOYSA-N 0 0 315.392 3.042 20 10 DGCDRN COc1ccc(N2CCCN(c3ncccc3Cl)CC2)cc1 ZINC000088702270 401204960 /nfs/dbraw/zinc/20/49/60/401204960.db2.gz IJNXMTWUAJUNCT-UHFFFAOYSA-N 0 0 317.820 3.460 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CC3(CCCC3)OC[C@@H]2C)c1O ZINC000852637024 620636338 /nfs/dbraw/zinc/63/63/38/620636338.db2.gz AQYADLOZDKPWJU-LBPRGKRZSA-N 0 0 321.392 3.267 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)c1 ZINC000136749533 432161966 /nfs/dbraw/zinc/16/19/66/432161966.db2.gz LZMCKSHEOSZUSL-CQSZACIVSA-N 0 0 320.389 3.272 20 10 DGCDRN Nc1ccc(CC(=O)N2CCCC[C@@H]2Cc2ccccc2)cc1 ZINC000269222526 432154649 /nfs/dbraw/zinc/15/46/49/432154649.db2.gz LNDWKWWDHVVPJH-LJQANCHMSA-N 0 0 308.425 3.435 20 10 DGCDRN O=C(/C=C/c1cncc(F)c1)N1CCc2c1cc(F)cc2F ZINC000171741237 432166761 /nfs/dbraw/zinc/16/67/61/432166761.db2.gz SYTQDUYUQKBHKM-OWOJBTEDSA-N 0 0 304.271 3.101 20 10 DGCDRN CCc1ncsc1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000269549635 432184170 /nfs/dbraw/zinc/18/41/70/432184170.db2.gz PKVMXXCIMJOZIY-UHFFFAOYSA-N 0 0 304.419 3.093 20 10 DGCDRN CC[C@H](C)OCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000269712397 432200707 /nfs/dbraw/zinc/20/07/07/432200707.db2.gz OBMUNFZONUABQC-HNNXBMFYSA-N 0 0 306.450 3.305 20 10 DGCDRN CCc1ncsc1C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000269728618 432203245 /nfs/dbraw/zinc/20/32/45/432203245.db2.gz IRHUALYXRIWTSZ-UHFFFAOYSA-N 0 0 317.458 3.434 20 10 DGCDRN CS[C@@H](C)CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000269818614 432212099 /nfs/dbraw/zinc/21/20/99/432212099.db2.gz ISKOKTHEIZBHOK-AWEZNQCLSA-N 0 0 323.506 3.424 20 10 DGCDRN O=C(NCc1ccccc1O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000133753582 227038923 /nfs/dbraw/zinc/03/89/23/227038923.db2.gz OSACLNMHICHLIS-CMPLNLGQSA-N 0 0 301.308 3.377 20 10 DGCDRN Fc1cc2c(c(F)c1)CCN2Cc1c[nH]nc1-c1cccnc1 ZINC000187370117 228429340 /nfs/dbraw/zinc/42/93/40/228429340.db2.gz PKMGAMXBHCYCMG-UHFFFAOYSA-N 0 0 312.323 3.313 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(Cl)o1 ZINC000298429566 228885791 /nfs/dbraw/zinc/88/57/91/228885791.db2.gz XLLMXTYBCYVBLS-UHFFFAOYSA-N 0 0 304.777 3.463 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3C[C@H]3C)ccc21 ZINC000343259518 229123223 /nfs/dbraw/zinc/12/32/23/229123223.db2.gz MQCDKKHLHXWOEF-WBMJQRKESA-N 0 0 314.429 3.290 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)CC[C@H]1CCCO1 ZINC000348656938 229205218 /nfs/dbraw/zinc/20/52/18/229205218.db2.gz BAPJFSQQHDONRQ-CQSZACIVSA-N 0 0 300.402 3.062 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1ccncc1C ZINC000349921968 229218564 /nfs/dbraw/zinc/21/85/64/229218564.db2.gz OWSAAIHSGCOKMX-UHFFFAOYSA-N 0 0 322.412 3.190 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@H]1CCSC1 ZINC000350079996 229218959 /nfs/dbraw/zinc/21/89/59/229218959.db2.gz NVWNXBDRSWLGKY-ZDUSSCGKSA-N 0 0 317.458 3.134 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1CCSC1 ZINC000350066055 229219317 /nfs/dbraw/zinc/21/93/17/229219317.db2.gz CSNFFCZGICGSOE-ZDUSSCGKSA-N 0 0 317.458 3.039 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cc1ccncc1C ZINC000352126917 229243821 /nfs/dbraw/zinc/24/38/21/229243821.db2.gz ZAPUHDQYIQHAIM-UHFFFAOYSA-N 0 0 307.397 3.049 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cccc2c[nH]nc21 ZINC000352126372 229243854 /nfs/dbraw/zinc/24/38/54/229243854.db2.gz SETUVSBWBFAZHN-UHFFFAOYSA-N 0 0 318.380 3.293 20 10 DGCDRN O=[N+]([O-])c1ccccc1/C=C/CN1C[C@@H](CO)c2ccccc21 ZINC000354044466 229288909 /nfs/dbraw/zinc/28/89/09/229288909.db2.gz ITZXIKWVMZGVOB-ZKKXHLJNSA-N 0 0 310.353 3.204 20 10 DGCDRN O=[N+]([O-])c1ccccc1/C=C/CN1C[C@H](CO)c2ccccc21 ZINC000354044464 229289579 /nfs/dbraw/zinc/28/95/79/229289579.db2.gz ITZXIKWVMZGVOB-KEDPEKRHSA-N 0 0 310.353 3.204 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNCc1cn(C(C)(C)C)nn1 ZINC000355127138 229304009 /nfs/dbraw/zinc/30/40/09/229304009.db2.gz SIPKSNKTPYLPNT-UHFFFAOYSA-N 0 0 311.433 3.123 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNc1cncc(-n2cccn2)n1 ZINC000359794689 229384388 /nfs/dbraw/zinc/38/43/88/229384388.db2.gz BZDCSRPTDXSUOL-UHFFFAOYSA-N 0 0 318.384 3.075 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C1CCOCC1 ZINC000151356029 432238843 /nfs/dbraw/zinc/23/88/43/432238843.db2.gz YMAHCHQTYIMWDD-AWEZNQCLSA-N 0 0 320.433 3.129 20 10 DGCDRN CC[C@H](C)n1ncc(C(=O)NCc2ccccc2O)c1C1CC1 ZINC000270463547 432248445 /nfs/dbraw/zinc/24/84/45/432248445.db2.gz GAWCTHMAAMQPEX-LBPRGKRZSA-N 0 0 313.401 3.367 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1cccc(Cl)c1[O-] ZINC000287643180 288072671 /nfs/dbraw/zinc/07/26/71/288072671.db2.gz KYHFFAYWNOVYQD-RISCZKNCSA-N 0 0 320.824 3.001 20 10 DGCDRN C[C@H]1CC[C@H](CCC(=O)NCc2c(O)ccc3c2CCCC3)O1 ZINC000075159605 431457355 /nfs/dbraw/zinc/45/73/55/431457355.db2.gz QCICMDZXTBELEE-DZGCQCFKSA-N 0 0 317.429 3.235 20 10 DGCDRN CS[C@@H]1CCC[C@@H](NC(=O)N(C)Cc2ccccc2O)C1 ZINC000117508150 431565145 /nfs/dbraw/zinc/56/51/45/431565145.db2.gz KJWYQQBESOLTLN-ZIAGYGMSSA-N 0 0 308.447 3.208 20 10 DGCDRN O=C(CCC1CC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000117974859 431585156 /nfs/dbraw/zinc/58/51/56/431585156.db2.gz DBUPJCAGPRXQHX-INIZCTEOSA-N 0 0 303.402 3.090 20 10 DGCDRN CN1CCCN(C(=O)/C=C/c2cncc(F)c2)c2ccccc21 ZINC000078150167 431644804 /nfs/dbraw/zinc/64/48/04/431644804.db2.gz PPGLCFJDWLZASH-BQYQJAHWSA-N 0 0 311.360 3.107 20 10 DGCDRN C[N@H+](CCc1ccccn1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000120808307 431733211 /nfs/dbraw/zinc/73/32/11/431733211.db2.gz RGMNTPCYMBRICV-UHFFFAOYSA-N 0 0 321.764 3.023 20 10 DGCDRN Cc1cc(N(C)C)ccc1NCc1cc2c(cc1O)OCO2 ZINC000120130136 431721613 /nfs/dbraw/zinc/72/16/13/431721613.db2.gz MTFKOQLFHGIFFH-UHFFFAOYSA-N 0 0 300.358 3.107 20 10 DGCDRN C[C@H](CCC(=O)NCCc1ccc(O)c(O)c1)c1ccccc1 ZINC000122107033 431812911 /nfs/dbraw/zinc/81/29/11/431812911.db2.gz NHRJPRIJVZYWJS-CQSZACIVSA-N 0 0 313.397 3.340 20 10 DGCDRN COc1ccc(N2CCCN(Cc3nc(C)cs3)CC2)cc1 ZINC000088579226 431858625 /nfs/dbraw/zinc/85/86/25/431858625.db2.gz MVIXNSPQVWOWKT-UHFFFAOYSA-N 0 0 317.458 3.172 20 10 DGCDRN CCOc1cccc(CNc2ccc(OCCOC)cc2)c1O ZINC000122466673 431833858 /nfs/dbraw/zinc/83/38/58/431833858.db2.gz YBNDPPQZBRDDGD-UHFFFAOYSA-N 0 0 317.385 3.428 20 10 DGCDRN COc1ccc(N(CCC2OCCO2)Cc2ccco2)cc1F ZINC000125009695 431911346 /nfs/dbraw/zinc/91/13/46/431911346.db2.gz WAGONVCCZOPTRH-UHFFFAOYSA-N 0 0 321.348 3.197 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000093820374 431916956 /nfs/dbraw/zinc/91/69/56/431916956.db2.gz QVRLNLPNSGWLDN-CQSZACIVSA-N 0 0 302.201 3.311 20 10 DGCDRN CCOc1cccc(CN(C)Cc2ncc(CC)s2)c1O ZINC000093807574 431917581 /nfs/dbraw/zinc/91/75/81/431917581.db2.gz AOIXMOUHQFGBHF-UHFFFAOYSA-N 0 0 306.431 3.442 20 10 DGCDRN COc1cc(N(C)Cc2cnc(C)s2)cc(OC)c1OC ZINC000125704863 431933863 /nfs/dbraw/zinc/93/38/63/431933863.db2.gz FQNJOQYAFSJIMI-UHFFFAOYSA-N 0 0 308.403 3.114 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccnc1 ZINC000052396850 431955305 /nfs/dbraw/zinc/95/53/05/431955305.db2.gz LWACZUKSLNFIOZ-UHFFFAOYSA-N 0 0 309.413 3.344 20 10 DGCDRN COc1ccc2c(c1)CCCCN2CCCc1nc(C)no1 ZINC000270840643 432296413 /nfs/dbraw/zinc/29/64/13/432296413.db2.gz FVJGOQDEGHANFB-UHFFFAOYSA-N 0 0 301.390 3.162 20 10 DGCDRN c1ccc2[nH]c(NCc3ccc(N4CCOCC4)cc3)nc2c1 ZINC000270588806 432261361 /nfs/dbraw/zinc/26/13/61/432261361.db2.gz SCOVGUWAYJMNDI-UHFFFAOYSA-N 0 0 308.385 3.012 20 10 DGCDRN Cc1nc(N2CCOCC2)ccc1N[C@@H](C)c1ccccc1O ZINC000183705442 432317542 /nfs/dbraw/zinc/31/75/42/432317542.db2.gz QIOLUIANDCONHU-ZDUSSCGKSA-N 0 0 313.401 3.105 20 10 DGCDRN CCc1cccnc1C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000271133870 432334831 /nfs/dbraw/zinc/33/48/31/432334831.db2.gz SVUXWCOHRFFPSO-UHFFFAOYSA-N 0 0 311.429 3.372 20 10 DGCDRN COc1ccccc1[C@H](C)CC(=O)NCCc1ccc(N)cc1 ZINC000152500415 432336605 /nfs/dbraw/zinc/33/66/05/432336605.db2.gz TUWCCRUOSSLQLA-CQSZACIVSA-N 0 0 312.413 3.130 20 10 DGCDRN Nc1ccc(CCNC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)cc1 ZINC000152520684 432337033 /nfs/dbraw/zinc/33/70/33/432337033.db2.gz MICSEMYFWPJJEC-KGLIPLIRSA-N 0 0 316.351 3.009 20 10 DGCDRN CC(=O)CC(C)(C)CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000191923692 432314151 /nfs/dbraw/zinc/31/41/51/432314151.db2.gz ZWVOLDKJGVCARW-UHFFFAOYSA-N 0 0 317.429 3.283 20 10 DGCDRN CC1(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000153021917 432377202 /nfs/dbraw/zinc/37/72/02/432377202.db2.gz LKWSXOXSCPJTEL-UHFFFAOYSA-N 0 0 324.371 3.173 20 10 DGCDRN Cc1c(/C=C\C(=O)N(CC(F)(F)F)c2ccccc2)cnn1C ZINC000254956049 432406525 /nfs/dbraw/zinc/40/65/25/432406525.db2.gz LRSXQVZNOHESIY-HJWRWDBZSA-N 0 0 323.318 3.337 20 10 DGCDRN CN(Cc1nc2ccccc2n1C)Cc1ccc(N(C)C)cc1 ZINC000152871051 432364125 /nfs/dbraw/zinc/36/41/25/432364125.db2.gz JRCHJGDUJMHQOI-UHFFFAOYSA-N 0 0 308.429 3.271 20 10 DGCDRN C[C@@H]([NH2+]CC1(C)OCCO1)c1cc(Cl)c(Cl)cc1[O-] ZINC000193065723 432444953 /nfs/dbraw/zinc/44/49/53/432444953.db2.gz OTZZUBXQOZAYAH-MRVPVSSYSA-N 0 0 306.189 3.113 20 10 DGCDRN COc1ccc(O)c(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)c1 ZINC000271768530 432423630 /nfs/dbraw/zinc/42/36/30/432423630.db2.gz AZOFSYHUIPOGSZ-OAHLLOKOSA-N 0 0 305.418 3.372 20 10 DGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C1CC=CC1 ZINC000175845129 432471570 /nfs/dbraw/zinc/47/15/70/432471570.db2.gz COSKWAGLJQCTRO-UHFFFAOYSA-N 0 0 324.218 3.469 20 10 DGCDRN CCC(CC)[C@@H]1C[C@@H](NC(=O)NCc2ccccc2O)CCO1 ZINC000272351387 432487987 /nfs/dbraw/zinc/48/79/87/432487987.db2.gz QVFRFVLAENVMBQ-RDJZCZTQSA-N 0 0 320.433 3.175 20 10 DGCDRN C[C@H]1CC[C@H](CCC(=O)NCc2ccc3c(c2)CCCN3C)O1 ZINC000175788002 432465581 /nfs/dbraw/zinc/46/55/81/432465581.db2.gz DQCWRVPVOPNYLQ-WMLDXEAASA-N 0 0 316.445 3.033 20 10 DGCDRN Cc1ccc(C[C@@H]2CCCN2C(=O)c2cccc(O)c2O)cc1 ZINC000185651188 432520717 /nfs/dbraw/zinc/52/07/17/432520717.db2.gz KOOYJTJDQBAIED-HNNXBMFYSA-N 0 0 311.381 3.254 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cscn1 ZINC000264024980 432605470 /nfs/dbraw/zinc/60/54/70/432605470.db2.gz SNGICIFXQOVIAH-UHFFFAOYSA-N 0 0 303.431 3.260 20 10 DGCDRN Cc1ccc(O)c([C@H](C)Nc2ccc3c(c2)N(C)C(=O)CO3)c1 ZINC000186326141 432582938 /nfs/dbraw/zinc/58/29/38/432582938.db2.gz CCWGWKZGXUAFLN-LBPRGKRZSA-N 0 0 312.369 3.229 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCC(C)(C)C1 ZINC000186397467 432590785 /nfs/dbraw/zinc/59/07/85/432590785.db2.gz JHWDZMLUXBQINM-GXTWGEPZSA-N 0 0 305.418 3.361 20 10 DGCDRN COc1ccc(O)c([C@H](C)Nc2ccc3c(c2)OCCO3)c1 ZINC000273462717 432600897 /nfs/dbraw/zinc/60/08/97/432600897.db2.gz QSILMWDKBZCZAE-NSHDSACASA-N 0 0 301.342 3.345 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000217684881 432656067 /nfs/dbraw/zinc/65/60/67/432656067.db2.gz MYDSITRPJURHJA-KBPBESRZSA-N 0 0 315.244 3.415 20 10 DGCDRN CN(C)c1ccc(C[NH2+]CC2(CC(=O)[O-])CCCCC2)cc1 ZINC000277031142 432828732 /nfs/dbraw/zinc/82/87/32/432828732.db2.gz PTAUDVPUHKVMPX-UHFFFAOYSA-N 0 0 304.434 3.267 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@@H](CC(C)C)C(=O)[O-])cc1F ZINC000277215346 432830578 /nfs/dbraw/zinc/83/05/78/432830578.db2.gz HNQYNNRUJQIQGX-HNNXBMFYSA-N 0 0 310.413 3.261 20 10 DGCDRN CC(C)C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000277222318 432831022 /nfs/dbraw/zinc/83/10/22/432831022.db2.gz HXLPVBBPTGGUSP-QGZVFWFLSA-N 0 0 304.434 3.266 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC3(C2)CCOCC3)c1[O-] ZINC000267343263 432833923 /nfs/dbraw/zinc/83/39/23/432833923.db2.gz CUVYDLANIQVYGH-UHFFFAOYSA-N 0 0 323.820 3.251 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccnc(F)c1F ZINC000276488048 432812396 /nfs/dbraw/zinc/81/23/96/432812396.db2.gz UDTBBQANGXTFAE-UHFFFAOYSA-N 0 0 306.312 3.118 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]C[C@@](C)(CC)C(=O)[O-])cc1F ZINC000277991044 432880364 /nfs/dbraw/zinc/88/03/64/432880364.db2.gz NFIRERBPEBHIMZ-QGZVFWFLSA-N 0 0 310.413 3.262 20 10 DGCDRN Cc1cccc([C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C(=O)[O-])c1C ZINC000277352137 432841216 /nfs/dbraw/zinc/84/12/16/432841216.db2.gz PNEYQRWIPVSDTF-GOSISDBHSA-N 0 0 311.381 3.154 20 10 DGCDRN CC[C@@H]1CC[C@@H](C(=O)N(CC)Cc2ccc(N(C)C)cc2)O1 ZINC000268233842 432857661 /nfs/dbraw/zinc/85/76/61/432857661.db2.gz YQPRLTSTIUNAPQ-SJORKVTESA-N 0 0 304.434 3.059 20 10 DGCDRN CC[C@@H]1CC[C@H](C(=O)N(CC)Cc2ccc(N(C)C)cc2)O1 ZINC000268233840 432857676 /nfs/dbraw/zinc/85/76/76/432857676.db2.gz YQPRLTSTIUNAPQ-IAGOWNOFSA-N 0 0 304.434 3.059 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2(SC)CCC2)c1 ZINC000279027855 432927118 /nfs/dbraw/zinc/92/71/18/432927118.db2.gz IECXRJOAHFRSJE-NSHDSACASA-N 0 0 309.431 3.115 20 10 DGCDRN CC[C@H](C)n1ncc(C(=O)NCc2ccc(N)cc2)c1C1CC1 ZINC000296818492 432927901 /nfs/dbraw/zinc/92/79/01/432927901.db2.gz AKJHEGUROZQILN-LBPRGKRZSA-N 0 0 312.417 3.244 20 10 DGCDRN Cc1n[nH]c(CC[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])n1 ZINC000278637096 432898021 /nfs/dbraw/zinc/89/80/21/432898021.db2.gz HHQFMZMPQDGKRV-ZETCQYMHSA-N 0 0 315.204 3.019 20 10 DGCDRN CC/C(C)=C/C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000297212532 432975073 /nfs/dbraw/zinc/97/50/73/432975073.db2.gz SFXUJBASSXLGQT-UKYUDJEDSA-N 0 0 303.402 3.256 20 10 DGCDRN C[C@]1(O)CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000279643043 432988754 /nfs/dbraw/zinc/98/87/54/432988754.db2.gz JMPHQVVWWQVAFK-AWEZNQCLSA-N 0 0 304.217 3.436 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CCC(=O)[C@@H]1C ZINC000279639204 432989079 /nfs/dbraw/zinc/98/90/79/432989079.db2.gz JAZKCDQHRGWHDK-GDBMZVCRSA-N 0 0 316.445 3.106 20 10 DGCDRN CC[C@H]([NH2+]C[C@H](O)c1cccc(OC)c1)c1ccc(C)cc1O ZINC000280126258 433003850 /nfs/dbraw/zinc/00/38/50/433003850.db2.gz ORETTXZTZBXNQP-HKUYNNGSSA-N 0 0 315.413 3.484 20 10 DGCDRN COCC(C)(C)CC(=O)NCc1c(C)c2ccccc2n1C ZINC000412298793 433144719 /nfs/dbraw/zinc/14/47/19/433144719.db2.gz GFSRBIZYUCLJOD-UHFFFAOYSA-N 0 0 302.418 3.166 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000373824235 433165977 /nfs/dbraw/zinc/16/59/77/433165977.db2.gz JIZYJVSKJMFLMV-GFCCVEGCSA-N 0 0 313.800 3.433 20 10 DGCDRN CO[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000374681368 433256683 /nfs/dbraw/zinc/25/66/83/433256683.db2.gz VCFJCIAQQJXFRB-AWEZNQCLSA-N 0 0 311.809 3.249 20 10 DGCDRN Cc1ccoc1CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000291687433 433313573 /nfs/dbraw/zinc/31/35/73/433313573.db2.gz DDKJQSWEWRIUFO-UHFFFAOYSA-N 0 0 314.385 3.172 20 10 DGCDRN CCN(CC)c1ccc(CNCc2snnc2C)cc1F ZINC000291663483 433306357 /nfs/dbraw/zinc/30/63/57/433306357.db2.gz FIMHPGPUEBUFRC-UHFFFAOYSA-N 0 0 308.426 3.122 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OCC(=O)N3CCCCC3)cc12 ZINC000421197487 433457810 /nfs/dbraw/zinc/45/78/10/433457810.db2.gz KQWCKMMHTBPMDJ-UHFFFAOYSA-N 0 0 300.402 3.186 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1nc2ccccc2c(=O)[nH]1 ZINC000301258164 433476964 /nfs/dbraw/zinc/47/69/64/433476964.db2.gz DVQWZAVRIVRXKT-UHFFFAOYSA-N 0 0 308.385 3.322 20 10 DGCDRN CCc1nc(C)c(C(=O)NCc2ccc(N3CCCC3)cc2)o1 ZINC000292504556 433573025 /nfs/dbraw/zinc/57/30/25/433573025.db2.gz CREIUBCSAXVZDE-UHFFFAOYSA-N 0 0 313.401 3.076 20 10 DGCDRN COC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000273447793 292843162 /nfs/dbraw/zinc/84/31/62/292843162.db2.gz FLNOIHAAEABZBF-MLGOLLRUSA-N 0 0 316.357 3.339 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H](O)c1ccccc1 ZINC000282482428 433611960 /nfs/dbraw/zinc/61/19/60/433611960.db2.gz LUFLCLKSGXZHAK-SFHVURJKSA-N 0 0 313.397 3.255 20 10 DGCDRN CCSCCCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000282663446 433623899 /nfs/dbraw/zinc/62/38/99/433623899.db2.gz VHOBCEMSYPNKSQ-UHFFFAOYSA-N 0 0 321.490 3.229 20 10 DGCDRN Cc1nc(NCc2c(O)ccc3c2CCCC3)ccc1[N+](=O)[O-] ZINC000301667838 433664460 /nfs/dbraw/zinc/66/44/60/433664460.db2.gz PEEOBYVAJNGRDZ-UHFFFAOYSA-N 0 0 313.357 3.495 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)CCc1cncc(C)c1 ZINC000293439561 433739839 /nfs/dbraw/zinc/73/98/39/433739839.db2.gz QZSZVFHQWAUDFN-UHFFFAOYSA-N 0 0 312.413 3.467 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1cc(NCC2CC2)ncn1 ZINC000301822304 433741608 /nfs/dbraw/zinc/74/16/08/433741608.db2.gz KOYQVEVLKADRRH-UHFFFAOYSA-N 0 0 311.433 3.285 20 10 DGCDRN CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000293678562 433823331 /nfs/dbraw/zinc/82/33/31/433823331.db2.gz KDNMVFHGVVAMKB-DOMZBBRYSA-N 0 0 310.413 3.124 20 10 DGCDRN COc1ccc(O)c(CNc2cc(Cl)nc(C3CC3)n2)c1 ZINC000301963391 433807530 /nfs/dbraw/zinc/80/75/30/433807530.db2.gz IYPIMAUYKKTPTA-UHFFFAOYSA-N 0 0 305.765 3.334 20 10 DGCDRN CO[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cc1O)C1CC1 ZINC000293636851 433810403 /nfs/dbraw/zinc/81/04/03/433810403.db2.gz GWCYGRCLQINYFK-XPTSAGLGSA-N 0 0 314.223 3.230 20 10 DGCDRN CCC1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCOCC1 ZINC000293722508 433841703 /nfs/dbraw/zinc/84/17/03/433841703.db2.gz VREJMBVYVSRROY-UHFFFAOYSA-N 0 0 301.789 3.481 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCCn2c(cc3ccccc32)C1 ZINC000377138373 433850897 /nfs/dbraw/zinc/85/08/97/433850897.db2.gz JKJVALWVCVZCMK-UHFFFAOYSA-N 0 0 322.364 3.099 20 10 DGCDRN CCC[C@]1(CO)CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293938235 433932009 /nfs/dbraw/zinc/93/20/09/433932009.db2.gz OAJTWNRIKNIRQR-HNNXBMFYSA-N 0 0 301.789 3.169 20 10 DGCDRN Cc1cc(C(=O)N2CC[C@H](O)C[C@@H]2C)c(C)n1-c1ccccc1 ZINC000294021474 433967778 /nfs/dbraw/zinc/96/77/78/433967778.db2.gz YZYKUEIENFNVDF-GUYCJALGSA-N 0 0 312.413 3.080 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000294199725 434034849 /nfs/dbraw/zinc/03/48/49/434034849.db2.gz ORMRNJQYNKBCOQ-KRWDZBQOSA-N 0 0 309.365 3.465 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC2(C1)CCOC2 ZINC000294501872 434115857 /nfs/dbraw/zinc/11/58/57/434115857.db2.gz RHOXTPIOCAFMEG-UHFFFAOYSA-N 0 0 316.426 3.018 20 10 DGCDRN CCOC(CC[NH2+]Cc1cc(Cl)c(F)cc1[O-])OCC ZINC000294520634 434120385 /nfs/dbraw/zinc/12/03/85/434120385.db2.gz CMKTTYKUNQUZPG-UHFFFAOYSA-N 0 0 305.777 3.064 20 10 DGCDRN CCOc1ccc(O)c(CN2CCOC[C@@H]2c2ccccc2)c1 ZINC000378344317 434147983 /nfs/dbraw/zinc/14/79/83/434147983.db2.gz ZPLBVHKCNHQCNV-GOSISDBHSA-N 0 0 313.397 3.364 20 10 DGCDRN Cn1c(-c2ccccc2)cnc1SC[C@@H]1CCNC(=O)CC1 ZINC000294961985 434155012 /nfs/dbraw/zinc/15/50/12/434155012.db2.gz KBZITEGSFFMLLI-ZDUSSCGKSA-N 0 0 315.442 3.096 20 10 DGCDRN CC1(C)C[C@H](O)CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295331605 434312679 /nfs/dbraw/zinc/31/26/79/434312679.db2.gz XPPDETJCTJKRAN-LLVKDONJSA-N 0 0 301.789 3.168 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cccc(Cl)c1[O-] ZINC000287755859 434442925 /nfs/dbraw/zinc/44/29/25/434442925.db2.gz QOMACJDKSGVESW-ZYHUDNBSSA-N 0 0 311.731 3.400 20 10 DGCDRN Cc1cc(C(=O)NCC[C@H](C)CCO)c(C)n1-c1ccccc1 ZINC000295639437 434427982 /nfs/dbraw/zinc/42/79/82/434427982.db2.gz TXWCTQFBABYZRT-AWEZNQCLSA-N 0 0 314.429 3.233 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC([C@H]3CCOC3)C2)cc1 ZINC000366846214 434522035 /nfs/dbraw/zinc/52/20/35/434522035.db2.gz OCBWULQRYDWKOD-KRWDZBQOSA-N 0 0 324.424 3.203 20 10 DGCDRN Oc1cccc2c1[C@@H]([NH2+]Cc1ccc(N3CCCC3)nc1)CC2 ZINC000296147116 434522620 /nfs/dbraw/zinc/52/26/20/434522620.db2.gz WOOLTXPRJMZWNM-INIZCTEOSA-N 0 0 309.413 3.165 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC3(CCO3)CC2)cc1 ZINC000367108408 434539874 /nfs/dbraw/zinc/53/98/74/434539874.db2.gz QURVZKVCFRBVIP-UHFFFAOYSA-N 0 0 324.424 3.489 20 10 DGCDRN CO[C@H]1Cc2ccccc2N(C(=O)/C=C/c2scnc2C)C1 ZINC000369106605 434587517 /nfs/dbraw/zinc/58/75/17/434587517.db2.gz JZGSLEQGAXRZLU-NPQIQWPPSA-N 0 0 314.410 3.069 20 10 DGCDRN c1nc([C@@H]2CCCN2Cc2ccc(N3CCCCC3)cc2)no1 ZINC000371376415 434682018 /nfs/dbraw/zinc/68/20/18/434682018.db2.gz YKDLFUHBEWMARD-KRWDZBQOSA-N 0 0 312.417 3.397 20 10 DGCDRN Cc1nc([C@H]2CCCCN2Cc2cc(Cl)ccc2O)no1 ZINC000372839448 434858169 /nfs/dbraw/zinc/85/81/69/434858169.db2.gz RVKVURJHRMQGRJ-CYBMUJFWSA-N 0 0 307.781 3.464 20 10 DGCDRN COc1cc(OC)cc(N(C)C(=O)/C=C\c2cnc(C)s2)c1 ZINC000492000134 434897679 /nfs/dbraw/zinc/89/76/79/434897679.db2.gz CTFGKDWKLJMSIA-WAYWQWQTSA-N 0 0 318.398 3.145 20 10 DGCDRN Cc1cc(N(C)C(=O)/C=C/c2ccccc2-n2cccn2)ccn1 ZINC000492049331 434906051 /nfs/dbraw/zinc/90/60/51/434906051.db2.gz SWPAMFILKYKHCZ-CMDGGOBGSA-N 0 0 318.380 3.252 20 10 DGCDRN CC(C)(C)c1ncc(/C=C/C(=O)N2CCc3ccncc32)s1 ZINC000492399934 434974310 /nfs/dbraw/zinc/97/43/10/434974310.db2.gz PUXUALUWWKKIKH-SNAWJCMRSA-N 0 0 313.426 3.438 20 10 DGCDRN O=C(/C=C\c1cccnc1)N1CCC[C@@H](O)c2cc(F)ccc21 ZINC000492423962 434979206 /nfs/dbraw/zinc/97/92/06/434979206.db2.gz DSIFNDOHAFCEQI-CTEOGUNLSA-N 0 0 312.344 3.094 20 10 DGCDRN CCN(C[C@@H](C)OC)C(=O)NCc1c(C)c2ccccc2n1C ZINC000464318373 434983954 /nfs/dbraw/zinc/98/39/54/434983954.db2.gz GUBCBEAPFKGVPE-CYBMUJFWSA-N 0 0 317.433 3.053 20 10 DGCDRN O=C(/C=C/c1cncc(F)c1)N1CCc2c1c(F)ccc2F ZINC000492855570 435062053 /nfs/dbraw/zinc/06/20/53/435062053.db2.gz UCVOIWFHBKQJPG-DAFODLJHSA-N 0 0 304.271 3.101 20 10 DGCDRN Cc1cccnc1N(C)C(=O)/C=C\c1cnn(-c2ccccc2)c1 ZINC000492741067 435042127 /nfs/dbraw/zinc/04/21/27/435042127.db2.gz VEGVMYVPTKHLFO-KHPPLWFESA-N 0 0 318.380 3.252 20 10 DGCDRN CCn1ccnc1/C=C/C(=O)NCc1c(C)c2ccccc2n1C ZINC000492735802 435042447 /nfs/dbraw/zinc/04/24/47/435042447.db2.gz MVRWRCXDHLZSRZ-MDZDMXLPSA-N 0 0 322.412 3.033 20 10 DGCDRN CN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])c1ccc(Cl)nc1 ZINC000493321430 435148097 /nfs/dbraw/zinc/14/80/97/435148097.db2.gz LUSAMWZJGLSXIQ-TWGQIWQCSA-N 0 0 317.732 3.319 20 10 DGCDRN O=C(/C=C\c1cncs1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000493020604 435093088 /nfs/dbraw/zinc/09/30/88/435093088.db2.gz SJXNHZRWDHAITQ-SREVYHEPSA-N 0 0 315.354 3.044 20 10 DGCDRN Cc1ncsc1/C=C\C(=O)N(C)c1cnc2ccccc2n1 ZINC000493118913 435110462 /nfs/dbraw/zinc/11/04/62/435110462.db2.gz GAZIBTDMAQMILF-FPLPWBNLSA-N 0 0 310.382 3.071 20 10 DGCDRN C[C@H]1CN(C(=O)/C=C/c2cncs2)c2cccc(F)c2O1 ZINC000493167489 435119250 /nfs/dbraw/zinc/11/92/50/435119250.db2.gz PPNIZYANYSMICC-PORFMDCZSA-N 0 0 304.346 3.110 20 10 DGCDRN Cc1ccc(/C=C/C(=O)N2C[C@@H](C)C(=O)Nc3ccccc32)cn1 ZINC000493466472 435177630 /nfs/dbraw/zinc/17/76/30/435177630.db2.gz RVRNLGUTKHFXOQ-WTNCMQEWSA-N 0 0 321.380 3.025 20 10 DGCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CC(C)C2)CCCC1 ZINC000651896958 435859156 /nfs/dbraw/zinc/85/91/56/435859156.db2.gz JBCWQYYULZSDQN-UHFFFAOYSA-N 0 0 312.413 3.007 20 10 DGCDRN CO[C@H](COc1ccc2c(c1)c(C)c(C)n2C)[C@H]1CCOC1 ZINC000664097931 436557659 /nfs/dbraw/zinc/55/76/59/436557659.db2.gz HWOURQVOZDOYEZ-KBXCAEBGSA-N 0 0 303.402 3.225 20 10 DGCDRN Cc1nn(C)c(Cl)c1/C=C\C(=O)N(C)c1ccccc1F ZINC000255587032 331775751 /nfs/dbraw/zinc/77/57/51/331775751.db2.gz AQXWPAWOPAKDAW-HJWRWDBZSA-N 0 0 307.756 3.197 20 10 DGCDRN O=C(/C=C\c1cncc(F)c1)N1CCc2c1cc(F)cc2F ZINC000255845940 331807659 /nfs/dbraw/zinc/80/76/59/331807659.db2.gz SYTQDUYUQKBHKM-UPHRSURJSA-N 0 0 304.271 3.101 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C\c2cccnc2)cc1Cl ZINC000255917282 331819085 /nfs/dbraw/zinc/81/90/85/331819085.db2.gz WVMKBKCBKTUSGF-YVMONPNESA-N 0 0 302.761 3.420 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC2(CCC2)C1 ZINC000151001027 332676694 /nfs/dbraw/zinc/67/66/94/332676694.db2.gz VMNFNVSXNMBPGP-UHFFFAOYSA-N 0 0 311.429 3.148 20 10 DGCDRN CCc1noc(C)c1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000293676013 335114771 /nfs/dbraw/zinc/11/47/71/335114771.db2.gz JZEVFNNRLDZIDI-SECBINFHSA-N 0 0 305.334 3.010 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CCCOC(C)(C)C2)c1O ZINC000314217351 333094166 /nfs/dbraw/zinc/09/41/66/333094166.db2.gz AKYDCYQHSAVDJA-UHFFFAOYSA-N 0 0 311.809 3.249 20 10 DGCDRN CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000185177287 333204901 /nfs/dbraw/zinc/20/49/01/333204901.db2.gz WFRPNGCDGTWGES-LBPRGKRZSA-N 0 0 316.376 3.132 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H]1C=CCCC1 ZINC000188342449 333363187 /nfs/dbraw/zinc/36/31/87/333363187.db2.gz JCLQHXWDZZCDOX-CQSZACIVSA-N 0 0 300.402 3.224 20 10 DGCDRN Fc1cccc(NCc2ccc(N3CCSCC3)cc2)n1 ZINC000301096145 336289716 /nfs/dbraw/zinc/28/97/16/336289716.db2.gz NAFJHLIROZELKR-UHFFFAOYSA-N 0 0 303.406 3.386 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@@H](F)C1 ZINC000584533658 337357457 /nfs/dbraw/zinc/35/74/57/337357457.db2.gz IRIIXEXEBSOHFB-CYBMUJFWSA-N 0 0 303.381 3.130 20 10 DGCDRN COC(C)(C)CN(C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000527176871 337735977 /nfs/dbraw/zinc/73/59/77/337735977.db2.gz HXAQCQHNBKRTTQ-UHFFFAOYSA-N 0 0 317.433 3.053 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc2[nH]ccc21 ZINC000176489084 341879848 /nfs/dbraw/zinc/87/98/48/341879848.db2.gz ZJDRPYBZVRZXRY-UHFFFAOYSA-N 0 0 321.380 3.273 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCOC[C@@H](C)C1 ZINC000372883765 533720684 /nfs/dbraw/zinc/72/06/84/533720684.db2.gz UBODCOUDHBWGRO-LBPRGKRZSA-N 0 0 318.442 3.264 20 10 DGCDRN CC(C)C(=O)NCC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192604633 519501187 /nfs/dbraw/zinc/50/11/87/519501187.db2.gz ZNHFNJWDKNFMHC-VIFPVBQESA-N 0 0 319.232 3.122 20 10 DGCDRN CCN(C(=O)/C=C/c1cnn(C)c1C)c1ccc(F)c(F)c1 ZINC000157974301 519898452 /nfs/dbraw/zinc/89/84/52/519898452.db2.gz DGXFQMLYDGSJHJ-VMPITWQZSA-N 0 0 305.328 3.073 20 10 DGCDRN CC1(C)CO[C@H](c2ccccc2)CN1C(=O)Cc1ccc(N)cc1 ZINC000236644771 520513053 /nfs/dbraw/zinc/51/30/53/520513053.db2.gz FWGPUJGUJXZXRF-SFHVURJKSA-N 0 0 324.424 3.190 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cncs2)cc1F ZINC000264505776 520904017 /nfs/dbraw/zinc/90/40/17/520904017.db2.gz PLNSBPGGHDNGQB-UHFFFAOYSA-N 0 0 307.394 3.058 20 10 DGCDRN CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000269628094 521264528 /nfs/dbraw/zinc/26/45/28/521264528.db2.gz DGXMRWCJVABJFE-KRWDZBQOSA-N 0 0 316.357 3.163 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCC[C@H]1CCCCO1 ZINC000182193417 521688563 /nfs/dbraw/zinc/68/85/63/521688563.db2.gz KMZPSRSNWKSIFU-MRXNPFEDSA-N 0 0 320.433 3.273 20 10 DGCDRN CCCN(Cc1csc(NC(C)=O)n1)Cc1ccccc1O ZINC000266538850 521692944 /nfs/dbraw/zinc/69/29/44/521692944.db2.gz ICFKZZDVPNDYOP-UHFFFAOYSA-N 0 0 319.430 3.219 20 10 DGCDRN CC[C@H](C)Oc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000182531538 521766138 /nfs/dbraw/zinc/76/61/38/521766138.db2.gz DBBHJQYRCRXNGX-LBPRGKRZSA-N 0 0 315.369 3.205 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C2(c3ccccc3F)CC2)cc1 ZINC000128504114 522183266 /nfs/dbraw/zinc/18/32/66/522183266.db2.gz RLRHMOIXRAWUSS-UHFFFAOYSA-N 0 0 312.388 3.240 20 10 DGCDRN COc1cc(C)c(S(=O)(=O)Nc2ccc(O)cc2C)cc1C ZINC000265768591 522223879 /nfs/dbraw/zinc/22/38/79/522223879.db2.gz NSIXUVSMNVBBQX-UHFFFAOYSA-N 0 0 321.398 3.127 20 10 DGCDRN CCc1nc([C@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)cs1 ZINC000181069894 522441738 /nfs/dbraw/zinc/44/17/38/522441738.db2.gz QIZDOBPHOOTVPW-STUBTGCMSA-N 0 0 318.398 3.007 20 10 DGCDRN CC[C@@H](CCO)CNC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000128082300 522505990 /nfs/dbraw/zinc/50/59/90/522505990.db2.gz MNXTUOWEBLJHHY-INIZCTEOSA-N 0 0 314.429 3.233 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000130683718 523381697 /nfs/dbraw/zinc/38/16/97/523381697.db2.gz XBZAUOYMKZOTHC-NEWSRXKRSA-N 0 0 322.408 3.262 20 10 DGCDRN CO[C@@H](C)c1nc(CN(C)c2ccc3c(c2)OCO3)cs1 ZINC000121266460 523468107 /nfs/dbraw/zinc/46/81/07/523468107.db2.gz WDBWNWYMOYEUPY-JTQLQIEISA-N 0 0 306.387 3.216 20 10 DGCDRN CN(Cc1nc(C(F)(F)F)cs1)Cc1ccccc1O ZINC000157253110 523552772 /nfs/dbraw/zinc/55/27/72/523552772.db2.gz QCBMEZJRVYVSTI-UHFFFAOYSA-N 0 0 302.321 3.500 20 10 DGCDRN C[C@H]1CC[C@H](CCC(=O)N(C)Cc2ccc(N(C)C)cc2)O1 ZINC000175004092 524401872 /nfs/dbraw/zinc/40/18/72/524401872.db2.gz PQEIRHKVPPEUPU-WMLDXEAASA-N 0 0 304.434 3.059 20 10 DGCDRN Cc1cccc(C[C@@H](CO)[NH2+][C@H](C)c2ccc(F)cc2[O-])c1 ZINC000191612129 524466979 /nfs/dbraw/zinc/46/69/79/524466979.db2.gz QGXZKQDQEJJSGE-CJNGLKHVSA-N 0 0 303.377 3.094 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NCc2csc([C@@H](C)OC)n2)c1 ZINC000182393085 524766039 /nfs/dbraw/zinc/76/60/39/524766039.db2.gz XVPMLCAXGDENGD-GHMZBOCLSA-N 0 0 322.430 3.416 20 10 DGCDRN COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000191212975 524800355 /nfs/dbraw/zinc/80/03/55/524800355.db2.gz PYANCCHYUOZAHV-QMTHXVAHSA-N 0 0 323.339 3.063 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC000186391528 524893640 /nfs/dbraw/zinc/89/36/40/524893640.db2.gz HFVWREOQTHAOKK-AVGNSLFASA-N 0 0 305.418 3.217 20 10 DGCDRN CSCCCCCCNC(=O)N(C)Cc1ccccc1O ZINC000182202393 525412353 /nfs/dbraw/zinc/41/23/53/525412353.db2.gz UXRBRLCUBUDFAU-UHFFFAOYSA-N 0 0 310.463 3.457 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)COc1ccsc1 ZINC000337091164 525974547 /nfs/dbraw/zinc/97/45/47/525974547.db2.gz KVYOIZAMEVNLDM-UHFFFAOYSA-N 0 0 314.410 3.243 20 10 DGCDRN COc1cccc(CNC(=O)[C@@H](C)Cc2ccccc2F)c1O ZINC000131033013 525994859 /nfs/dbraw/zinc/99/48/59/525994859.db2.gz DQXBKIDRIIUKPH-LBPRGKRZSA-N 0 0 317.360 3.035 20 10 DGCDRN O=C(CCC1CCC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000175267469 526398364 /nfs/dbraw/zinc/39/83/64/526398364.db2.gz KYUZKACRUPZEQY-QGZVFWFLSA-N 0 0 317.429 3.480 20 10 DGCDRN Cc1nc(C(C)(C)C)sc1C(=O)NCCc1ccc(N)cc1 ZINC000269151710 526659636 /nfs/dbraw/zinc/65/96/36/526659636.db2.gz RNYXHTRCRJOTSF-UHFFFAOYSA-N 0 0 317.458 3.304 20 10 DGCDRN Cc1scc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1C ZINC000180308444 526904849 /nfs/dbraw/zinc/90/48/49/526904849.db2.gz ZQJYSBWAVNHNKO-UHFFFAOYSA-N 0 0 316.426 3.470 20 10 DGCDRN Nc1ccc(CC(=O)N2CCSC[C@@H]2c2ccccc2)cc1 ZINC000237884529 527475793 /nfs/dbraw/zinc/47/57/93/527475793.db2.gz XADOBMBLJPDCRR-QGZVFWFLSA-N 0 0 312.438 3.128 20 10 DGCDRN Nc1ccc(CCNC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000237946556 527481322 /nfs/dbraw/zinc/48/13/22/527481322.db2.gz CSVZTGLUKFOHLP-CABCVRRESA-N 0 0 316.351 3.009 20 10 DGCDRN CC(C)CSCCCNC(=O)N(C)Cc1ccccc1O ZINC000129970207 528214557 /nfs/dbraw/zinc/21/45/57/528214557.db2.gz NNWGFKRSFKDVEZ-UHFFFAOYSA-N 0 0 310.463 3.313 20 10 DGCDRN CCOCCCCNC(=O)NCc1c(C)c2ccccc2n1C ZINC000471679965 535508272 /nfs/dbraw/zinc/50/82/72/535508272.db2.gz NXNLITOMJDDECP-UHFFFAOYSA-N 0 0 317.433 3.103 20 10 DGCDRN CC[C@@H]([NH2+]C1CCC(NC(C)=O)CC1)c1ccc(F)cc1[O-] ZINC000286011536 535802723 /nfs/dbraw/zinc/80/27/23/535802723.db2.gz JGPZUCHBQFMOOI-ZBCRRDGASA-N 0 0 308.397 3.019 20 10 DGCDRN CC[C@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000286239911 535910386 /nfs/dbraw/zinc/91/03/86/535910386.db2.gz TYJUETSKFAEMJN-WBVHZDCISA-N 0 0 303.377 3.176 20 10 DGCDRN CC[C@H]([NH2+]C[C@H](O)c1ccc(OC)cc1)c1ccc(F)cc1[O-] ZINC000285811592 535911025 /nfs/dbraw/zinc/91/10/25/535911025.db2.gz VVSITTMKXJSASW-WMZOPIPTSA-N 0 0 319.376 3.314 20 10 DGCDRN CC[C@H]1C[C@H](CC(=O)NCc2ccc(N(C)C)c(F)c2)CCO1 ZINC000272759025 536176393 /nfs/dbraw/zinc/17/63/93/536176393.db2.gz PEPGOUOCUKYJLA-HIFRSBDPSA-N 0 0 322.424 3.103 20 10 DGCDRN COC(=O)c1cnoc1CN(c1ccc(OC)c(F)c1)C(C)C ZINC000285774555 536837508 /nfs/dbraw/zinc/83/75/08/536837508.db2.gz WXVSHIGBPABAID-UHFFFAOYSA-N 0 0 322.336 3.024 20 10 DGCDRN C[C@@H]1CCN1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000731121309 574544045 /nfs/dbraw/zinc/54/40/45/574544045.db2.gz QOZWJEQVSNTMIH-OAHLLOKOSA-N 0 0 301.434 3.227 20 10 DGCDRN CC[C@@H](C)NC(=S)NCc1ccc(N(CC)CC)c(F)c1 ZINC000731320759 574547139 /nfs/dbraw/zinc/54/71/39/574547139.db2.gz XQSWJYHDVMRKNG-GFCCVEGCSA-N 0 0 311.470 3.435 20 10 DGCDRN COc1cc(C)c([C@H](C)NC(=O)C2=CC(=O)CS2)cc1OC ZINC000732269614 574569477 /nfs/dbraw/zinc/56/94/77/574569477.db2.gz GKRMNNAKBFYUIN-JTQLQIEISA-N 0 0 321.398 3.270 20 10 DGCDRN O=C(Nc1ccc(N2CCCCC2)cn1)C1=CC(=O)CS1 ZINC000732270864 574569545 /nfs/dbraw/zinc/56/95/45/574569545.db2.gz VYFOEZCACMZNOL-UHFFFAOYSA-N 0 0 303.387 3.091 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000732275926 574569928 /nfs/dbraw/zinc/56/99/28/574569928.db2.gz RYHZETLPEHVLKD-CYBMUJFWSA-N 0 0 305.374 3.440 20 10 DGCDRN C[C@H](CNC(=O)C1=CC(=O)CS1)COCc1ccccc1 ZINC000732276297 574570243 /nfs/dbraw/zinc/57/02/43/574570243.db2.gz PYSDNKSPQFEPGV-GFCCVEGCSA-N 0 0 305.399 3.036 20 10 DGCDRN CC(=O)N1CCCc2cc(NC(=O)C3=CC(=O)CS3)ccc21 ZINC000732281591 574570356 /nfs/dbraw/zinc/57/03/56/574570356.db2.gz RPBZCUUZCKQUTD-UHFFFAOYSA-N 0 0 316.382 3.005 20 10 DGCDRN O=C(Nc1nc(Cc2ccccc2)ns1)C1=CC(=O)CS1 ZINC000732290129 574570726 /nfs/dbraw/zinc/57/07/26/574570726.db2.gz PVZIOAOPEHGGAZ-UHFFFAOYSA-N 0 0 317.395 3.148 20 10 DGCDRN COc1ccc2c(c1)CCCN(C(=O)C1=CC(=O)CS1)C2 ZINC000732286636 574570837 /nfs/dbraw/zinc/57/08/37/574570837.db2.gz TVYIEZPVIZJDCI-UHFFFAOYSA-N 0 0 303.383 3.051 20 10 DGCDRN Cc1cc(C)c(NC(=O)COC(=O)C2=CC(=O)CS2)c(C)c1 ZINC000732354232 574572309 /nfs/dbraw/zinc/57/23/09/574572309.db2.gz PTWZZMJUROKAAC-UHFFFAOYSA-N 0 0 319.382 3.174 20 10 DGCDRN O=C(COC(=O)C1=CC(=O)CS1)c1cc2ccccc2o1 ZINC000732355018 574572350 /nfs/dbraw/zinc/57/23/50/574572350.db2.gz ZYWDNQILPGJFMU-UHFFFAOYSA-N 0 0 302.307 3.240 20 10 DGCDRN COc1ccc2c(c1)CCCN2C(=O)/C=C/c1cnc(C)s1 ZINC000732730016 574580895 /nfs/dbraw/zinc/58/08/95/574580895.db2.gz HHQFUSGKOJEWSB-SOFGYWHQSA-N 0 0 314.410 3.453 20 10 DGCDRN Cc1ncc(/C=C/C(=O)N2C[C@H](C)Oc3ccccc32)s1 ZINC000732741024 574580997 /nfs/dbraw/zinc/58/09/97/574580997.db2.gz GVOVZYNWFFWRSF-AEZGRPFRSA-N 0 0 300.383 3.279 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CC1(C)C ZINC000732892718 574586815 /nfs/dbraw/zinc/58/68/15/574586815.db2.gz GEQFWSPSYAPSJA-OAHLLOKOSA-N 0 0 303.450 3.330 20 10 DGCDRN Cc1nc(CCC(=O)N(C)Cc2ccc(N(C)C)cc2)cs1 ZINC000733126094 574598883 /nfs/dbraw/zinc/59/88/83/574598883.db2.gz QZHAIFYLIAJKOZ-UHFFFAOYSA-N 0 0 317.458 3.109 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@]2(C)CCOC2)cc1 ZINC000733121136 574599097 /nfs/dbraw/zinc/59/90/97/574599097.db2.gz KXXZCLMWXYMIMO-IBGZPJMESA-N 0 0 312.413 3.251 20 10 DGCDRN CN(C)c1ccc(CN(c2ncnc3c2CCC3)C2CC2)cc1 ZINC000733188122 574606195 /nfs/dbraw/zinc/60/61/95/574606195.db2.gz IEBWQZROJVQYMH-UHFFFAOYSA-N 0 0 308.429 3.200 20 10 DGCDRN Cc1cc(C(=O)OCCCCO)c(C)n1-c1cccc(C)c1 ZINC000733390152 574619048 /nfs/dbraw/zinc/61/90/48/574619048.db2.gz PGQWKQATKXTFKD-UHFFFAOYSA-N 0 0 301.386 3.332 20 10 DGCDRN C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000733806638 574639038 /nfs/dbraw/zinc/63/90/38/574639038.db2.gz GMTDNZZYXNRQRA-ZIAGYGMSSA-N 0 0 322.474 3.180 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC2(O)CCCC2)cc1 ZINC000733977396 574645515 /nfs/dbraw/zinc/64/55/15/574645515.db2.gz ASAIECDQWORRQI-UHFFFAOYSA-N 0 0 312.413 3.129 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2sccc2C2CC2)c1 ZINC000734016200 574648118 /nfs/dbraw/zinc/64/81/18/574648118.db2.gz GSAYSOULNHIOAD-UHFFFAOYSA-N 0 0 303.383 3.270 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1cccc2cccnc21 ZINC000734359722 574659237 /nfs/dbraw/zinc/65/92/37/574659237.db2.gz KXZAROFVLSPXSE-UHFFFAOYSA-N 0 0 323.352 3.010 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc2c(c1)COC2 ZINC000734402226 574659653 /nfs/dbraw/zinc/65/96/53/574659653.db2.gz JMOKKQHFTIONQN-UHFFFAOYSA-N 0 0 310.397 3.021 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Cn1ccc2ccccc21 ZINC000734405852 574659683 /nfs/dbraw/zinc/65/96/83/574659683.db2.gz ILZQVGNZOUUDRW-UHFFFAOYSA-N 0 0 321.424 3.332 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CO[C@H]1CCC[C@@H](C)C1 ZINC000734406710 574660028 /nfs/dbraw/zinc/66/00/28/574660028.db2.gz ZJPWDYHCOJSDBO-KDOFPFPSSA-N 0 0 318.461 3.273 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000734468334 574663558 /nfs/dbraw/zinc/66/35/58/574663558.db2.gz VAGXSDFRRKGPQH-UHFFFAOYSA-N 0 0 314.433 3.012 20 10 DGCDRN CC(C)[C@@H]1CCCCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000735328367 574698407 /nfs/dbraw/zinc/69/84/07/574698407.db2.gz QHBSZZYIFSZLTP-KRWDZBQOSA-N 0 0 303.450 3.473 20 10 DGCDRN Cc1cc(Cl)cc2c1N(C(=O)/C=C/c1cnn(C)c1)CCC2 ZINC000735449572 574702545 /nfs/dbraw/zinc/70/25/45/574702545.db2.gz IFLFCSABRVACIO-AATRIKPKSA-N 0 0 315.804 3.375 20 10 DGCDRN Cc1cc(O)c(CN2CC[S@](=O)[C@H](C)[C@@H]2C)cc1C(C)C ZINC000736599209 574760455 /nfs/dbraw/zinc/76/04/55/574760455.db2.gz PJQSLLAWTGTZQY-QTCYRWPVSA-N 0 0 309.475 3.165 20 10 DGCDRN Cc1ccc(C(=O)NCCCSc2nccs2)c(O)c1C ZINC000736682176 574802568 /nfs/dbraw/zinc/80/25/68/574802568.db2.gz LBBDVWDCFSEGDA-UHFFFAOYSA-N 0 0 322.455 3.378 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]C2CCC(C(=O)[O-])CC2)cc1 ZINC000737093269 574823285 /nfs/dbraw/zinc/82/32/85/574823285.db2.gz DMJWURDSYMYVAU-UHFFFAOYSA-N 0 0 304.434 3.266 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)[C@H](C)C(=O)OC(C)(C)C ZINC000738877045 574885366 /nfs/dbraw/zinc/88/53/66/574885366.db2.gz NZEKHLGLVQWTJJ-CQSZACIVSA-N 0 0 306.450 3.305 20 10 DGCDRN O=C([O-])c1ccc2c(c1)C[N@H+](Cc1c(O)ccc3ccncc31)C2 ZINC000740202003 574928529 /nfs/dbraw/zinc/92/85/29/574928529.db2.gz GWEIYMZFXXOGQU-UHFFFAOYSA-N 0 0 320.348 3.154 20 10 DGCDRN CCC[C@@](C)(O)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000740747465 574941430 /nfs/dbraw/zinc/94/14/30/574941430.db2.gz CKJJHEQGVXQBMJ-LJQANCHMSA-N 0 0 314.429 3.375 20 10 DGCDRN Cn1cc(/C=C(/Cl)c2nc3cc(Cl)ccc3n2C)nn1 ZINC000741467185 574958834 /nfs/dbraw/zinc/95/88/34/574958834.db2.gz LBCZWIDZEWUEIR-UXBLZVDNSA-N 0 0 308.172 3.092 20 10 DGCDRN CN1C(=O)C2(CCCC2)N[C@H]1c1cc(-c2ccccc2)ccc1O ZINC000742438850 575000147 /nfs/dbraw/zinc/00/01/47/575000147.db2.gz GGIOFEBBKFWHOG-GOSISDBHSA-N 0 0 322.408 3.432 20 10 DGCDRN CCCCN1C(=O)C2(CCCCC2)N[C@H]1c1cc(F)ccc1O ZINC000742443759 575000418 /nfs/dbraw/zinc/00/04/18/575000418.db2.gz OHTORMXTZUYVML-MRXNPFEDSA-N 0 0 320.408 3.465 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)[C@@H]2CCCS2)C2CC2)cc1 ZINC000743302390 575042448 /nfs/dbraw/zinc/04/24/48/575042448.db2.gz GDOOCSLIWOZAFY-INIZCTEOSA-N 0 0 304.459 3.139 20 10 DGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCS1 ZINC000743325251 575043417 /nfs/dbraw/zinc/04/34/17/575043417.db2.gz WEBWDKJAPXVLTR-INIZCTEOSA-N 0 0 304.459 3.189 20 10 DGCDRN O=C(CC1CCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000743339761 575043747 /nfs/dbraw/zinc/04/37/47/575043747.db2.gz YBVOACSFHKDVDH-INIZCTEOSA-N 0 0 303.402 3.090 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CCSC2)cc1 ZINC000743691885 575061375 /nfs/dbraw/zinc/06/13/75/575061375.db2.gz UYEZLSGKQDBHDC-HNNXBMFYSA-N 0 0 321.490 3.180 20 10 DGCDRN COCCCOC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000729075204 575214627 /nfs/dbraw/zinc/21/46/27/575214627.db2.gz IRGMXUQCBKCJQJ-UHFFFAOYSA-N 0 0 305.349 3.427 20 10 DGCDRN COc1ccc(N(Cc2nnc3n2CCCC3)CC(C)C)cc1 ZINC000728917484 575194330 /nfs/dbraw/zinc/19/43/30/575194330.db2.gz HGLPFMYUWUSQTI-UHFFFAOYSA-N 0 0 314.433 3.286 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)CCc2cccs2)c1 ZINC000728983747 575199301 /nfs/dbraw/zinc/19/93/01/575199301.db2.gz DWDOJJJDLWQJSF-NSHDSACASA-N 0 0 305.399 3.272 20 10 DGCDRN Cc1ccc2oc(C(=O)NCc3ccc(N(C)C)cc3)cc2n1 ZINC000729172521 575222155 /nfs/dbraw/zinc/22/21/55/575222155.db2.gz YDTYFJUXGYRKDB-UHFFFAOYSA-N 0 0 309.369 3.132 20 10 DGCDRN COc1ccc2c(c1)CCCN2CCCOCC(F)(F)F ZINC000740873727 575229303 /nfs/dbraw/zinc/22/93/03/575229303.db2.gz YUOOWELIUNUMJI-UHFFFAOYSA-N 0 0 303.324 3.417 20 10 DGCDRN CCCCS[C@@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000729277625 575231640 /nfs/dbraw/zinc/23/16/40/575231640.db2.gz FTQUKJLYDYTAIO-NEPJUHHUSA-N 0 0 311.447 3.500 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1c[nH]ccc1=O ZINC000729365955 575238915 /nfs/dbraw/zinc/23/89/15/575238915.db2.gz AITJZFFTEQBEPR-UHFFFAOYSA-N 0 0 313.382 3.096 20 10 DGCDRN CCC[C@@H](NC(=O)N(C)Cc1ccccc1O)c1ccccn1 ZINC000729612220 575257431 /nfs/dbraw/zinc/25/74/31/575257431.db2.gz COFGMUZTQHHVJH-MRXNPFEDSA-N 0 0 313.401 3.470 20 10 DGCDRN CCSc1ccccc1C(=O)NCc1cccc(OC)c1O ZINC000729859823 575264890 /nfs/dbraw/zinc/26/48/90/575264890.db2.gz XEHWOFUEYOKHRL-UHFFFAOYSA-N 0 0 317.410 3.443 20 10 DGCDRN COCCCCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000745507563 575397618 /nfs/dbraw/zinc/39/76/18/575397618.db2.gz KLGVGQULCFUAJT-UHFFFAOYSA-N 0 0 321.465 3.099 20 10 DGCDRN CC(C)C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000745788536 575417978 /nfs/dbraw/zinc/41/79/78/575417978.db2.gz LXPTZMLBMLBRFN-HNNXBMFYSA-N 0 0 321.440 3.469 20 10 DGCDRN COc1cccc(CNC(=O)N[C@H]2CCCC[C@@H]2C(C)C)c1O ZINC000745803662 575418424 /nfs/dbraw/zinc/41/84/24/575418424.db2.gz RKYHMCHABSBDDY-CABCVRRESA-N 0 0 320.433 3.415 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](C)CC[C@@H]1C ZINC000745828139 575419178 /nfs/dbraw/zinc/41/91/78/575419178.db2.gz OMGHPAQNOJTUFC-HIFRSBDPSA-N 0 0 303.450 3.391 20 10 DGCDRN Cc1nc(C)c(C(=O)NCc2ccc(N3CCCCC3)cc2)o1 ZINC000746172513 575438310 /nfs/dbraw/zinc/43/83/10/575438310.db2.gz LRTQWUCADALUSM-UHFFFAOYSA-N 0 0 313.401 3.212 20 10 DGCDRN Nc1ccc(CC(=O)Nc2ncc(Cc3ccccc3)s2)cc1 ZINC000746403956 575450824 /nfs/dbraw/zinc/45/08/24/575450824.db2.gz XRJOKMUZXNPKKO-UHFFFAOYSA-N 0 0 323.421 3.497 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1ccccc1N(C)C ZINC000746496227 575455149 /nfs/dbraw/zinc/45/51/49/575455149.db2.gz FDJICALEDODSNR-UHFFFAOYSA-N 0 0 311.429 3.218 20 10 DGCDRN C[C@@H]1CCCC[C@@H]1NC(=S)NCc1ccc(N(C)C)c(F)c1 ZINC000746685489 575470270 /nfs/dbraw/zinc/47/02/70/575470270.db2.gz QRBAJJVJCKIYEY-DOMZBBRYSA-N 0 0 323.481 3.435 20 10 DGCDRN CO[C@H]1CCC[C@@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000746756592 575473710 /nfs/dbraw/zinc/47/37/10/575473710.db2.gz UVWZBMSDXILOKQ-NEPJUHHUSA-N 0 0 314.223 3.202 20 10 DGCDRN CCCN(CC)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000746957673 575486468 /nfs/dbraw/zinc/48/64/68/575486468.db2.gz BZGWMZKOLPUKBK-OAHLLOKOSA-N 0 0 319.449 3.026 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OCc1cncn1C ZINC000747783809 575541420 /nfs/dbraw/zinc/54/14/20/575541420.db2.gz WNTOPECACGJWNC-UHFFFAOYSA-N 0 0 315.398 3.246 20 10 DGCDRN Cc1cc(C(=O)CSCCO)c(C)n1-c1ccc(C)cc1 ZINC000747836779 575545707 /nfs/dbraw/zinc/54/57/07/575545707.db2.gz KCFOIFFUBNRYDU-UHFFFAOYSA-N 0 0 303.427 3.311 20 10 DGCDRN Cc1nc(NC2CC2)sc1C(=O)N(C)Cc1ccccc1O ZINC000748027284 575557038 /nfs/dbraw/zinc/55/70/38/575557038.db2.gz KOQMCMHQOKPVCW-UHFFFAOYSA-N 0 0 317.414 3.004 20 10 DGCDRN O=C(NCc1ccccc1O)C1(c2cccc(Cl)c2)CC1 ZINC000748346153 575581160 /nfs/dbraw/zinc/58/11/60/575581160.db2.gz NTLSACMPXCQNRY-UHFFFAOYSA-N 0 0 301.773 3.394 20 10 DGCDRN O=C(CCCOc1cccc(F)c1)NCc1ccccc1O ZINC000748346440 575581202 /nfs/dbraw/zinc/58/12/02/575581202.db2.gz XHWFQJKFTTVMGS-UHFFFAOYSA-N 0 0 303.333 3.007 20 10 DGCDRN C[C@@H](NC(=O)NCc1ccccc1O)c1ccc(F)cc1F ZINC000748463368 575588466 /nfs/dbraw/zinc/58/84/66/575588466.db2.gz OWYJVDUHQCXOJF-SNVBAGLBSA-N 0 0 306.312 3.231 20 10 DGCDRN COCCONC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000748768724 575605381 /nfs/dbraw/zinc/60/53/81/575605381.db2.gz ZYMXRVCDPXLVIA-UHFFFAOYSA-N 0 0 322.792 3.055 20 10 DGCDRN Cc1cc(NC(=O)NCc2ccc3c(c2)CCCN3C)sn1 ZINC000749236101 575637376 /nfs/dbraw/zinc/63/73/76/575637376.db2.gz PKDXFEPBIMTWIA-UHFFFAOYSA-N 0 0 316.430 3.156 20 10 DGCDRN CC(C)c1noc(N(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000749271439 575640843 /nfs/dbraw/zinc/64/08/43/575640843.db2.gz FWSGVJLTCVLPCR-UHFFFAOYSA-N 0 0 300.406 3.428 20 10 DGCDRN C[C@H](C[NH2+]Cc1cccc(Br)c1[O-])c1ccncc1 ZINC000749297234 575643181 /nfs/dbraw/zinc/64/31/81/575643181.db2.gz RYOOCHDQRMKFRG-LLVKDONJSA-N 0 0 321.218 3.443 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)c(F)c1 ZINC000749391409 575650891 /nfs/dbraw/zinc/65/08/91/575650891.db2.gz LSYZOCWDLVPRNH-UHFFFAOYSA-N 0 0 300.377 3.439 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC1CCC(C)(O)CC1 ZINC000749608226 575668727 /nfs/dbraw/zinc/66/87/27/575668727.db2.gz UCAODANAPOBPAS-UHFFFAOYSA-N 0 0 320.433 3.007 20 10 DGCDRN O=S(=O)(/C=C/c1ccc(Cl)cc1)NCc1ccccc1O ZINC000751149240 575772120 /nfs/dbraw/zinc/77/21/20/575772120.db2.gz OWUJASSJVFONSO-MDZDMXLPSA-N 0 0 323.801 3.136 20 10 DGCDRN Cc1ccc(C(=O)NCCc2cccc(Cl)c2)c(O)c1O ZINC000751531081 575789095 /nfs/dbraw/zinc/78/90/95/575789095.db2.gz ZKARZOJDQNMERQ-UHFFFAOYSA-N 0 0 305.761 3.032 20 10 DGCDRN CCC(CC)c1nnc(NC(=O)c2ccc(C)c(O)c2O)s1 ZINC000751533308 575789419 /nfs/dbraw/zinc/78/94/19/575789419.db2.gz MILODAZGTYDCJD-UHFFFAOYSA-N 0 0 321.402 3.414 20 10 DGCDRN Nc1ccc(Cc2nc(C(=O)OCCC3CC3)cs2)cc1 ZINC000751931920 575812735 /nfs/dbraw/zinc/81/27/35/575812735.db2.gz QIHSJUPXYWDIKI-UHFFFAOYSA-N 0 0 302.399 3.273 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC2C(C)(C)C2(C)C)c1 ZINC000752021024 575818310 /nfs/dbraw/zinc/81/83/10/575818310.db2.gz WHIASFPMSUASFB-SNVBAGLBSA-N 0 0 306.406 3.196 20 10 DGCDRN COC(=O)c1cc(CN(C)c2ccc(OC)cc2OC)c(C)o1 ZINC000752122547 575824010 /nfs/dbraw/zinc/82/40/10/575824010.db2.gz LYPBWNKPGMDZBY-UHFFFAOYSA-N 0 0 319.357 3.028 20 10 DGCDRN Cn1cc(/C=C\C(=O)N2CCCc3cccc(Cl)c32)cn1 ZINC000726367923 576019338 /nfs/dbraw/zinc/01/93/38/576019338.db2.gz KKKYJWMAZAXPLC-FPLPWBNLSA-N 0 0 301.777 3.066 20 10 DGCDRN Cn1cc(/C=C\C(=O)N(Cc2ccsc2)c2cccnc2)cn1 ZINC000726369550 576019715 /nfs/dbraw/zinc/01/97/15/576019715.db2.gz XPNOZGQHRIBSEP-PLNGDYQASA-N 0 0 324.409 3.123 20 10 DGCDRN CC/C=C(/C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000726562989 576030800 /nfs/dbraw/zinc/03/08/00/576030800.db2.gz UEPCMINRFZYDIK-RZNTYIFUSA-N 0 0 302.418 3.137 20 10 DGCDRN CO[C@H](C)CCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000726547693 576030826 /nfs/dbraw/zinc/03/08/26/576030826.db2.gz PBOTZWVFSRYFMA-CYBMUJFWSA-N 0 0 318.392 3.388 20 10 DGCDRN CO[C@@H](C)CCNC(=O)c1sccc1-n1c(C)ccc1C ZINC000726547828 576031016 /nfs/dbraw/zinc/03/10/16/576031016.db2.gz GLBLHNVGKCTZGI-ZDUSSCGKSA-N 0 0 306.431 3.310 20 10 DGCDRN COCCN(Cc1ccc(C)s1)c1ccc2c(c1)OCCO2 ZINC000727150404 576109981 /nfs/dbraw/zinc/10/99/81/576109981.db2.gz PNRRKBCIRUAOKM-UHFFFAOYSA-N 0 0 319.426 3.481 20 10 DGCDRN COCC(C)(C)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000727403175 576124126 /nfs/dbraw/zinc/12/41/26/576124126.db2.gz CSEVMTKSQDAESM-UHFFFAOYSA-N 0 0 300.402 3.249 20 10 DGCDRN O=C1/C(=C\c2cc(F)c(F)c(F)c2)SC(=S)N1C1CC1 ZINC000728083442 576161804 /nfs/dbraw/zinc/16/18/04/576161804.db2.gz UGPQNQXEHYAUMS-BJMVGYQFSA-N 0 0 315.341 3.468 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C)C(C)=O)ccc21 ZINC000728639699 576193000 /nfs/dbraw/zinc/19/30/00/576193000.db2.gz SSFKZGOCSNBUQM-AWEZNQCLSA-N 0 0 317.385 3.039 20 10 DGCDRN CCC(=O)COC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000728640833 576193077 /nfs/dbraw/zinc/19/30/77/576193077.db2.gz ZJVZZUHYEBRZDO-UHFFFAOYSA-N 0 0 317.385 3.040 20 10 DGCDRN C/C=C/C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000728839256 576211565 /nfs/dbraw/zinc/21/15/65/576211565.db2.gz AHJOCLOUIZBDLP-SNAWJCMRSA-N 0 0 300.324 3.220 20 10 DGCDRN CC(C)NC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000917007274 620652087 /nfs/dbraw/zinc/65/20/87/620652087.db2.gz WZLFMFATPXLXQD-UHFFFAOYSA-N 0 0 315.417 3.466 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1cnc2c(c1)c(C)nn2C ZINC000917077356 620654818 /nfs/dbraw/zinc/65/48/18/620654818.db2.gz JYIYGXDWRUKDAR-UHFFFAOYSA-N 0 0 322.412 3.238 20 10 DGCDRN CCN(CC)c1ccc(CNc2cc(C(=O)OC)ccn2)cc1 ZINC000917085693 620656078 /nfs/dbraw/zinc/65/60/78/620656078.db2.gz XCJDRCYJBNPTHS-UHFFFAOYSA-N 0 0 313.401 3.327 20 10 DGCDRN COC(=O)/C=C\c1ccc(N(C)CCC(C)C)c([N+](=O)[O-])c1 ZINC000917094808 620656541 /nfs/dbraw/zinc/65/65/41/620656541.db2.gz KNBUKUIGHYYBPM-VURMDHGXSA-N 0 0 306.362 3.263 20 10 DGCDRN FC(F)(F)Oc1ccc2c(c1)CCCN2C[C@@H]1CCOC1 ZINC000917103507 620656903 /nfs/dbraw/zinc/65/69/03/620656903.db2.gz OTRSYYKLCWOROZ-NSHDSACASA-N 0 0 301.308 3.374 20 10 DGCDRN Cc1cc(C(=O)OCc2cnn(C)c2)c(C)n1-c1cccc(C)c1 ZINC000917222776 620660774 /nfs/dbraw/zinc/66/07/74/620660774.db2.gz JWZYACXWSZPMNR-UHFFFAOYSA-N 0 0 323.396 3.493 20 10 DGCDRN Cc1cc(C(=O)NCc2ccc(C)nc2)c(C)n1-c1ccccn1 ZINC000917217534 620660446 /nfs/dbraw/zinc/66/04/46/620660446.db2.gz AYMRFIJODCRGAZ-UHFFFAOYSA-N 0 0 320.396 3.123 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)OCc2cnn(C)c2)cc1 ZINC000917230893 620661413 /nfs/dbraw/zinc/66/14/13/620661413.db2.gz QNOKQNCONWFTOM-UHFFFAOYSA-N 0 0 309.369 3.185 20 10 DGCDRN Cc1cc(C(=O)CSCCO)c(C)n1-c1cccc(C)c1 ZINC000917400239 620667527 /nfs/dbraw/zinc/66/75/27/620667527.db2.gz JWPLBDZRFQVPFH-UHFFFAOYSA-N 0 0 303.427 3.311 20 10 DGCDRN Cc1cc(CC(=O)OCC2(C)COC2)c(C)n1-c1ccccc1 ZINC000853100855 620668966 /nfs/dbraw/zinc/66/89/66/620668966.db2.gz OHSCDOROMWRWEL-UHFFFAOYSA-N 0 0 313.397 3.216 20 10 DGCDRN Cc1cc(CC(=O)OCCn2ccnc2)c(C)n1-c1ccccc1 ZINC000853120076 620670923 /nfs/dbraw/zinc/67/09/23/620670923.db2.gz QLDZDFQBVBRPMH-UHFFFAOYSA-N 0 0 323.396 3.077 20 10 DGCDRN CCOc1cc(N[C@H](C)c2cc(OC)ccc2O)nc(C)n1 ZINC000853269182 620683735 /nfs/dbraw/zinc/68/37/35/620683735.db2.gz MCDDOSBCNAHSJG-SNVBAGLBSA-N 0 0 303.362 3.071 20 10 DGCDRN CC1CCN(c2ccc(CNc3cc(F)ncn3)cc2)CC1 ZINC000853300128 620684905 /nfs/dbraw/zinc/68/49/05/620684905.db2.gz CHRRNAYHRAWUOW-UHFFFAOYSA-N 0 0 300.381 3.464 20 10 DGCDRN C[C@H]1CCCN(C(=O)NCCCSc2nccs2)CC1 ZINC000154643267 620696969 /nfs/dbraw/zinc/69/69/69/620696969.db2.gz VAULYODKTLHWGB-LBPRGKRZSA-N 0 0 313.492 3.457 20 10 DGCDRN Cc1cc(O)c(CN2CCO[C@H](CC(F)(F)F)C2)cc1C ZINC000853611439 620716434 /nfs/dbraw/zinc/71/64/34/620716434.db2.gz NGOUQUKRJAHJKS-CYBMUJFWSA-N 0 0 303.324 3.162 20 10 DGCDRN COc1ccc(N2CC[C@H](Nc3nc(C4CC4)ns3)C2)cc1 ZINC000853758698 620734473 /nfs/dbraw/zinc/73/44/73/620734473.db2.gz JIXOECAFNLVDES-LBPRGKRZSA-N 0 0 316.430 3.115 20 10 DGCDRN COc1ccc(N2CC[C@H](Nc3cc(C(C)C)ncn3)C2)cc1 ZINC000853759757 620734564 /nfs/dbraw/zinc/73/45/64/620734564.db2.gz ZHSGDCLPMCCDBU-AWEZNQCLSA-N 0 0 312.417 3.299 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NCc2cc(C)cc(C)c2)c1 ZINC000853736544 620730867 /nfs/dbraw/zinc/73/08/67/620730867.db2.gz FRFVRSVUIGPWNJ-UHFFFAOYSA-N 0 0 314.385 3.017 20 10 DGCDRN COc1ccc(N2CC[C@@H](Nc3nc4ccccc4n3C)C2)cc1 ZINC000853758859 620734593 /nfs/dbraw/zinc/73/45/93/620734593.db2.gz LKJGRHJOXLUAEX-CQSZACIVSA-N 0 0 322.412 3.273 20 10 DGCDRN CCc1nc(C)cc(NCc2cccc(Br)c2O)n1 ZINC000804654391 617604250 /nfs/dbraw/zinc/60/42/50/617604250.db2.gz PGDCDKAORICURI-UHFFFAOYSA-N 0 0 322.206 3.428 20 10 DGCDRN CC[C@H]([NH2+][C@H]1CCn2ccnc2C1)c1cccc(Cl)c1[O-] ZINC000806159996 617618825 /nfs/dbraw/zinc/61/88/25/617618825.db2.gz DAOMWNQNGNLLSG-FZMZJTMJSA-N 0 0 305.809 3.298 20 10 DGCDRN CC(C)(C(=O)NCc1cccc(Cl)c1O)c1cccnc1 ZINC000890760546 617656956 /nfs/dbraw/zinc/65/69/56/617656956.db2.gz SSWNPMVDPFMURR-UHFFFAOYSA-N 0 0 304.777 3.035 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@H]1CCc2ccccc2C1 ZINC000890760915 617657214 /nfs/dbraw/zinc/65/72/14/617657214.db2.gz DTUZFHHHPPHSMB-AWEZNQCLSA-N 0 0 315.800 3.467 20 10 DGCDRN O=C(C[C@@H]1CCC(F)(F)C1)NCc1cccc(Cl)c1O ZINC000890759994 617657270 /nfs/dbraw/zinc/65/72/70/617657270.db2.gz YEFALDCMEHQENI-VIFPVBQESA-N 0 0 303.736 3.487 20 10 DGCDRN O=C(CCCc1ccccn1)NCc1cccc(Cl)c1O ZINC000890760356 617657319 /nfs/dbraw/zinc/65/73/19/617657319.db2.gz PJSWDUSPXKMYMR-UHFFFAOYSA-N 0 0 304.777 3.080 20 10 DGCDRN CC(C)[C@@H](C(=O)NCc1cccc(Cl)c1O)c1cccnc1 ZINC000890759904 617657363 /nfs/dbraw/zinc/65/73/63/617657363.db2.gz VJZOYJFFSCPIAS-OAHLLOKOSA-N 0 0 318.804 3.497 20 10 DGCDRN Cc1nc(C(C)C)ncc1C(=O)NCc1cccc(Cl)c1O ZINC000890762370 617657915 /nfs/dbraw/zinc/65/79/15/617657915.db2.gz ANYWUYONFXUUGG-UHFFFAOYSA-N 0 0 319.792 3.197 20 10 DGCDRN CC(C)[C@H]1C[C@@H](C(=O)NCc2cccc(Cl)c2O)CCO1 ZINC000890762874 617658386 /nfs/dbraw/zinc/65/83/86/617658386.db2.gz KNAWLXTTYQBSJY-SMDDNHRTSA-N 0 0 311.809 3.113 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1ncsc1C1CC1 ZINC000890763120 617658477 /nfs/dbraw/zinc/65/84/77/617658477.db2.gz NSXVCCZSRTVXFK-UHFFFAOYSA-N 0 0 308.790 3.310 20 10 DGCDRN CC(C)(C(=O)NCc1cccc(Cl)c1O)[C@@H]1CCCCO1 ZINC000890763566 617659040 /nfs/dbraw/zinc/65/90/40/617659040.db2.gz YIXBPJOGHQRSJN-ZDUSSCGKSA-N 0 0 311.809 3.257 20 10 DGCDRN CC[C@@H](C)[C@H](C)C(=O)NCc1cc(Br)ccc1O ZINC000804739790 617662492 /nfs/dbraw/zinc/66/24/92/617662492.db2.gz SYSCKNROXHQTHF-ZJUUUORDSA-N 0 0 314.223 3.453 20 10 DGCDRN CC[C@H]([NH2+]Cc1cccc(C(N)=O)c1)c1cccc(Cl)c1[O-] ZINC000806129438 617663060 /nfs/dbraw/zinc/66/30/60/617663060.db2.gz FZNYSJYDHSJNSS-HNNXBMFYSA-N 0 0 318.804 3.385 20 10 DGCDRN CCOc1ccc(CCN(C)C(=O)C2=CC(=O)CS2)cc1 ZINC000890967850 617710922 /nfs/dbraw/zinc/71/09/22/617710922.db2.gz JLNLRJYIMRKOKT-UHFFFAOYSA-N 0 0 305.399 3.167 20 10 DGCDRN CC[C@H](C)CCNC(=O)NCCCSc1nccs1 ZINC000853856208 620746276 /nfs/dbraw/zinc/74/62/76/620746276.db2.gz UGRRBZDZLBNWEK-NSHDSACASA-N 0 0 301.481 3.361 20 10 DGCDRN C[C@H]1CN(C(=O)NCCc2ccc(N)cc2)Cc2ccccc21 ZINC000892038439 617948933 /nfs/dbraw/zinc/94/89/33/617948933.db2.gz FIRMFLIVQVFEIY-AWEZNQCLSA-N 0 0 309.413 3.140 20 10 DGCDRN CCN(CC)c1ccc(CN(C)Cc2noc(C3CC3)n2)cc1 ZINC000919770151 620765321 /nfs/dbraw/zinc/76/53/21/620765321.db2.gz NQDXYVPTLKEHBR-UHFFFAOYSA-N 0 0 314.433 3.425 20 10 DGCDRN CC(C)(C)OC(=O)c1ccnc(NCc2ccccc2O)c1 ZINC000892161817 617977524 /nfs/dbraw/zinc/97/75/24/617977524.db2.gz RCHVEXLRBUJISE-UHFFFAOYSA-N 0 0 300.358 3.355 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NC[C@H]1CCc2ccccc21 ZINC000111880299 620767579 /nfs/dbraw/zinc/76/75/79/620767579.db2.gz VJFKFUZUJANQMP-OAHLLOKOSA-N 0 0 310.397 3.264 20 10 DGCDRN CO[C@H]1CC[C@H]1N(C)C(=O)c1sccc1-n1c(C)ccc1C ZINC000889355878 618035554 /nfs/dbraw/zinc/03/55/54/618035554.db2.gz KFCVLPCHOIRDFF-HIFRSBDPSA-N 0 0 318.442 3.405 20 10 DGCDRN COc1ccc(CNc2cccc(OCCF)c2)c(O)c1OC ZINC000892390573 618053833 /nfs/dbraw/zinc/05/38/33/618053833.db2.gz ZRYXJGNQHSHICH-UHFFFAOYSA-N 0 0 321.348 3.370 20 10 DGCDRN CSCC[C@@H](C)NC(=O)NCCCSc1nccs1 ZINC000153749658 618089065 /nfs/dbraw/zinc/08/90/65/618089065.db2.gz CLOLURZYAYFRGJ-SNVBAGLBSA-N 0 0 319.521 3.066 20 10 DGCDRN FC(F)c1cc(NCc2ccc(N3CC=CC3)cc2)ncn1 ZINC000892644630 618124979 /nfs/dbraw/zinc/12/49/79/618124979.db2.gz GXQONYUFKBMMKL-UHFFFAOYSA-N 0 0 302.328 3.403 20 10 DGCDRN CCOCc1nc(C)cc(NCc2ccc(N3CC=CC3)cc2)n1 ZINC000892644133 618125026 /nfs/dbraw/zinc/12/50/26/618125026.db2.gz BGHBZNOSXLQGSB-UHFFFAOYSA-N 0 0 324.428 3.310 20 10 DGCDRN CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000840889225 618141007 /nfs/dbraw/zinc/14/10/07/618141007.db2.gz FRMJOAALPSYFBA-BDAKNGLRSA-N 0 0 319.232 3.263 20 10 DGCDRN CCOCc1nc(C)cc(NCc2cc(Cl)ccc2O)n1 ZINC000894395923 618306867 /nfs/dbraw/zinc/30/68/67/618306867.db2.gz JWNNJJVRZYUNSQ-UHFFFAOYSA-N 0 0 307.781 3.293 20 10 DGCDRN Cc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1F ZINC000018150698 618308529 /nfs/dbraw/zinc/30/85/29/618308529.db2.gz LYKZDLNEKNZYNQ-UHFFFAOYSA-N 0 0 300.377 3.472 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cn(CC)cn1 ZINC000854373123 620798531 /nfs/dbraw/zinc/79/85/31/620798531.db2.gz BJYFOSJKTCSXBM-UHFFFAOYSA-N 0 0 301.390 3.051 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(CO)cc1 ZINC000854373340 620798851 /nfs/dbraw/zinc/79/88/51/620798851.db2.gz FERKBYSRZUBOGG-UHFFFAOYSA-N 0 0 313.397 3.327 20 10 DGCDRN COc1ccc(CNc2cccc(C3CC3)n2)c(O)c1OC ZINC000894612360 618401897 /nfs/dbraw/zinc/40/18/97/618401897.db2.gz GPCQKUHEMGTVMO-UHFFFAOYSA-N 0 0 300.358 3.294 20 10 DGCDRN CC(C)N(CC[NH+]1CCCCCC1)C(=O)C1=CC(=O)CS1 ZINC000854455472 620806133 /nfs/dbraw/zinc/80/61/33/620806133.db2.gz UCOABTRDWWTMKR-UHFFFAOYSA-N 0 0 310.463 3.180 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000894882827 618486915 /nfs/dbraw/zinc/48/69/15/618486915.db2.gz LSALFFCBTJVNGU-GFCCVEGCSA-N 0 0 300.171 3.278 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000894900926 618493891 /nfs/dbraw/zinc/49/38/91/618493891.db2.gz QDDZDQYGSAFLFS-ZBFHGGJFSA-N 0 0 323.383 3.452 20 10 DGCDRN CN(C)c1ccc(/C=C\CN2CCc3nc[nH]c3C23CCC3)cc1 ZINC000895069132 618526122 /nfs/dbraw/zinc/52/61/22/618526122.db2.gz RDRCMWDNCKFCQW-HYXAFXHYSA-N 0 0 322.456 3.426 20 10 DGCDRN C[C@H](CNC(=O)NCc1cccc(Cl)c1O)c1ccncc1 ZINC000893448711 618559428 /nfs/dbraw/zinc/55/94/28/618559428.db2.gz GOVZMLVANUTQAI-LLVKDONJSA-N 0 0 319.792 3.044 20 10 DGCDRN COc1ccc(N(C)Cc2c3c(nn2C)CCC3)cc1Cl ZINC000893459667 618562643 /nfs/dbraw/zinc/56/26/43/618562643.db2.gz BOHIDGFGPKDLMJ-UHFFFAOYSA-N 0 0 305.809 3.207 20 10 DGCDRN C[C@H](OCC1CC1)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000920772075 620822313 /nfs/dbraw/zinc/82/23/13/620822313.db2.gz MSDBZGBGVKVQDH-AWEZNQCLSA-N 0 0 316.445 3.059 20 10 DGCDRN COC(=O)c1cc(C[N@H+](C)Cc2ccccc2O)[nH]c1C(C)C ZINC000893962664 618681000 /nfs/dbraw/zinc/68/10/00/618681000.db2.gz QZYMYNAUESXDKT-UHFFFAOYSA-N 0 0 316.401 3.262 20 10 DGCDRN C[C@@H](NC(=O)NC[C@H]1CC(C)(C)OC1(C)C)c1ccccc1O ZINC000927632906 618710364 /nfs/dbraw/zinc/71/03/64/618710364.db2.gz PIWQPOSYQRBAJX-CHWSQXEVSA-N 0 0 320.433 3.346 20 10 DGCDRN COc1cc(C)cc(CNc2ccc([S@@](C)=O)c(F)c2)c1O ZINC000894132155 618717019 /nfs/dbraw/zinc/71/70/19/618717019.db2.gz URKWSLGZROILMX-JOCHJYFZSA-N 0 0 323.389 3.198 20 10 DGCDRN CCN(CC)c1ccc(CN[C@@H](C)c2cc(CO)on2)cc1F ZINC000925014400 618764336 /nfs/dbraw/zinc/76/43/36/618764336.db2.gz QEMHKOVCKUUXLC-LBPRGKRZSA-N 0 0 321.396 3.003 20 10 DGCDRN Cc1nc2c(s1)[C@@H](NC(=O)Nc1ccc(N)cc1)CCC2 ZINC000841296179 618779258 /nfs/dbraw/zinc/77/92/58/618779258.db2.gz PYVPNRZFNYZQIA-ZDUSSCGKSA-N 0 0 302.403 3.233 20 10 DGCDRN Cc1cc(Br)c(O)c(CN2CC[C@H]2C(F)F)c1 ZINC000895431196 618782482 /nfs/dbraw/zinc/78/24/82/618782482.db2.gz KYRCXRQSPWTXSC-JTQLQIEISA-N 0 0 306.150 3.303 20 10 DGCDRN CCC(CC)c1cc(CNC(=O)Nc2ccc(N)cc2)on1 ZINC000841299579 618791109 /nfs/dbraw/zinc/79/11/09/618791109.db2.gz JEUGNECMDFUREO-UHFFFAOYSA-N 0 0 302.378 3.482 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(F)ncc1C ZINC000895527109 618794947 /nfs/dbraw/zinc/79/49/47/618794947.db2.gz URPAXXNJXJKNLI-UHFFFAOYSA-N 0 0 315.392 3.257 20 10 DGCDRN CN=[S@](C)(=O)c1cccc(NCc2c(O)cccc2OC)c1 ZINC000895733565 618825526 /nfs/dbraw/zinc/82/55/26/618825526.db2.gz GJTQWXHTKXYBEI-JOCHJYFZSA-N 0 0 320.414 3.099 20 10 DGCDRN CC1(C)OCc2c1nc(Cl)nc2NCc1c(O)cccc1F ZINC000895832924 618839183 /nfs/dbraw/zinc/83/91/83/618839183.db2.gz QNPNUJCCOKNATD-UHFFFAOYSA-N 0 0 323.755 3.352 20 10 DGCDRN CCc1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)no1 ZINC000895940257 618852597 /nfs/dbraw/zinc/85/25/97/618852597.db2.gz KGRBXNYYMLFMAO-UHFFFAOYSA-N 0 0 313.401 3.157 20 10 DGCDRN Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1c([O-])cccc1F ZINC000896639400 618939800 /nfs/dbraw/zinc/93/98/00/618939800.db2.gz DNWQVXXGUQATKU-UHFFFAOYSA-N 0 0 304.321 3.346 20 10 DGCDRN CSC[C@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897049866 619008912 /nfs/dbraw/zinc/00/89/12/619008912.db2.gz QUASGHLFBYTTCO-SNVBAGLBSA-N 0 0 323.439 3.280 20 10 DGCDRN CCN(CC)c1ccc(CNc2cn(C)nc2OC)cc1F ZINC000788972298 625310129 /nfs/dbraw/zinc/31/01/29/625310129.db2.gz XTFVRLVVNKCGEU-UHFFFAOYSA-N 0 0 306.385 3.026 20 10 DGCDRN CC1(C)CC[C@@H](CCNC(=O)N2Cc3cccc(O)c3C2)OC1 ZINC000897098129 619016696 /nfs/dbraw/zinc/01/66/96/619016696.db2.gz QPLMDULVHKBZNF-AWEZNQCLSA-N 0 0 318.417 3.013 20 10 DGCDRN Cn1nc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1C1CC1 ZINC000897231044 619033305 /nfs/dbraw/zinc/03/33/05/619033305.db2.gz SOGKGCAYLHZCEM-UHFFFAOYSA-N 0 0 309.772 3.085 20 10 DGCDRN COc1c(C)cnc(CN(C)c2ccc3c(c2)OCO3)c1C ZINC000121299569 619041648 /nfs/dbraw/zinc/04/16/48/619041648.db2.gz ALHALVGCPRARDC-UHFFFAOYSA-N 0 0 300.358 3.072 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000928708724 619059573 /nfs/dbraw/zinc/05/95/73/619059573.db2.gz RQXOXUYFZCLQBN-DTWKUNHWSA-N 0 0 305.271 3.126 20 10 DGCDRN C[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1[N+](=O)[O-] ZINC000897459598 619130191 /nfs/dbraw/zinc/13/01/91/619130191.db2.gz MRBVCNFCQRTUEK-SNVBAGLBSA-N 0 0 322.311 3.472 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000841758431 619163976 /nfs/dbraw/zinc/16/39/76/619163976.db2.gz MBQQTQOOSGNIBJ-OCCSQVGLSA-N 0 0 305.805 3.472 20 10 DGCDRN CC(F)(F)CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897870616 619189711 /nfs/dbraw/zinc/18/97/11/619189711.db2.gz VLPFARXSKCDTSW-UHFFFAOYSA-N 0 0 301.314 3.088 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000898064966 619210337 /nfs/dbraw/zinc/21/03/37/619210337.db2.gz PBSGQMXGTFYCOJ-XHDPSFHLSA-N 0 0 311.784 3.234 20 10 DGCDRN CN(C)c1ccc(CNc2ccnn2[C@H]2CCCOC2)cc1F ZINC000898094887 619211901 /nfs/dbraw/zinc/21/19/01/619211901.db2.gz IKFCAIOXDOLVEP-AWEZNQCLSA-N 0 0 318.396 3.052 20 10 DGCDRN CCN(C)c1ccc(Cn2cc(-c3cccc(C)n3)nn2)cc1 ZINC000881317087 625327771 /nfs/dbraw/zinc/32/77/71/625327771.db2.gz ZVHZBVCNXHNGDI-UHFFFAOYSA-N 0 0 307.401 3.153 20 10 DGCDRN O=C(C[C@H]1CCC2(CCC2)O1)NCc1cc(Cl)ccc1O ZINC000898276677 619231605 /nfs/dbraw/zinc/23/16/05/619231605.db2.gz DJCNKGDMFHDRBO-CYBMUJFWSA-N 0 0 309.793 3.154 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(SC)CCC1 ZINC000787248496 619241753 /nfs/dbraw/zinc/24/17/53/619241753.db2.gz SLUJHZILZNGNKC-UHFFFAOYSA-N 0 0 306.475 3.387 20 10 DGCDRN C[C@H]([NH2+]CCc1nc2c(s1)CCC2)c1c([O-])cccc1F ZINC000926928358 619250205 /nfs/dbraw/zinc/25/02/05/619250205.db2.gz DMWGYBXJEKAQSZ-JTQLQIEISA-N 0 0 306.406 3.370 20 10 DGCDRN CC[C@@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000926963147 619253206 /nfs/dbraw/zinc/25/32/06/619253206.db2.gz MNXFMVFQRRQRKP-TZMCWYRMSA-N 0 0 322.346 3.455 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CCN1C(=O)OC(C)(C)C)c1c([O-])cccc1F ZINC000927002616 619256182 /nfs/dbraw/zinc/25/61/82/619256182.db2.gz WJWRTZXLQJEWAB-NWDGAFQWSA-N 0 0 324.396 3.191 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1cc(F)cc(F)c1[O-] ZINC000927108383 619266675 /nfs/dbraw/zinc/26/66/75/619266675.db2.gz NQCGNBADVMUBTG-VIFPVBQESA-N 0 0 307.344 3.132 20 10 DGCDRN O=C(NCC[C@H]1CCC(F)(F)C1)NCc1c(O)cccc1F ZINC000898491934 619279728 /nfs/dbraw/zinc/27/97/28/619279728.db2.gz VQGXOXJWAACPSI-SNVBAGLBSA-N 0 0 316.323 3.156 20 10 DGCDRN CC(C)[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC000898978109 619303755 /nfs/dbraw/zinc/30/37/55/619303755.db2.gz RMHPZWXQDJOQJK-HNNXBMFYSA-N 0 0 305.399 3.477 20 10 DGCDRN CCC[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)OCC ZINC000899126293 619313427 /nfs/dbraw/zinc/31/34/27/619313427.db2.gz OXVXQKKAXWJIHA-NSHDSACASA-N 0 0 323.414 3.248 20 10 DGCDRN O=C(N[C@@H]1CCCC12CC2)c1cc2cc(O)c(O)cc2s1 ZINC000899154519 619315372 /nfs/dbraw/zinc/31/53/72/619315372.db2.gz TWJNELHZLGVDPD-CQSZACIVSA-N 0 0 303.383 3.375 20 10 DGCDRN O=C(NCC[C@@H]1CCSC1)c1cc2cc(O)c(O)cc2s1 ZINC000899155343 619315479 /nfs/dbraw/zinc/31/54/79/619315479.db2.gz ZESZYXYYEGFQEP-SECBINFHSA-N 0 0 323.439 3.186 20 10 DGCDRN CC1(NC(=O)c2cc3cc(O)c(O)cc3s2)CC(F)(F)C1 ZINC000899197467 619317743 /nfs/dbraw/zinc/31/77/43/619317743.db2.gz LAHBTYMCRGJFAQ-UHFFFAOYSA-N 0 0 313.325 3.230 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NCC2(CC3CC3)CC2)cc1 ZINC000899201202 619318149 /nfs/dbraw/zinc/31/81/49/619318149.db2.gz XCUYQSJPYRPTIG-UHFFFAOYSA-N 0 0 300.362 3.159 20 10 DGCDRN C[C@@H]1C[C@@H](NC(=O)NCc2cc(Cl)ccc2O)CCS1 ZINC000927229554 619369988 /nfs/dbraw/zinc/36/99/88/619369988.db2.gz AITZTVILHAMNEJ-SKDRFNHKSA-N 0 0 314.838 3.129 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1Cc2ccccc2OC2(CCC2)C1 ZINC000899826137 619375240 /nfs/dbraw/zinc/37/52/40/619375240.db2.gz CPYUUKBKVMSPAV-UHFFFAOYSA-N 0 0 315.394 3.411 20 10 DGCDRN Cc1ccccc1CCCn1cc(COc2ccc(N)cc2)nn1 ZINC000881345754 625341567 /nfs/dbraw/zinc/34/15/67/625341567.db2.gz CWAQENCXWXTZNE-UHFFFAOYSA-N 0 0 322.412 3.381 20 10 DGCDRN CCCN(CCC)c1ccc(CNc2cncc(CO)n2)cc1 ZINC000902108203 619587204 /nfs/dbraw/zinc/58/72/04/619587204.db2.gz LJXZGTMDFVBZIE-UHFFFAOYSA-N 0 0 314.433 3.207 20 10 DGCDRN O=C1NCC[C@H]1CCOc1ccc(N2CCCCC2)c(Cl)c1 ZINC000902446736 619639606 /nfs/dbraw/zinc/63/96/06/619639606.db2.gz VPGHJFMNSZBBMW-ZDUSSCGKSA-N 0 0 322.836 3.235 20 10 DGCDRN C[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(Cl)c(Cl)c1[O-] ZINC000902470394 619642328 /nfs/dbraw/zinc/64/23/28/619642328.db2.gz WMMMXWPBOXYUQX-LDDIKCJXSA-N 0 0 301.217 3.243 20 10 DGCDRN C[C@@H]([NH2+][C@H](CO)CCc1ccccc1)c1c([O-])cccc1F ZINC000903288123 619754433 /nfs/dbraw/zinc/75/44/33/619754433.db2.gz KCSZSICFMCAQDJ-HIFRSBDPSA-N 0 0 303.377 3.176 20 10 DGCDRN Clc1ccnc(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000905414149 619995589 /nfs/dbraw/zinc/99/55/89/619995589.db2.gz AZXWELGUSHQMJR-UHFFFAOYSA-N 0 0 303.793 3.184 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H](C)[C@@H]2CCCO2)cc1 ZINC000905456190 620000958 /nfs/dbraw/zinc/00/09/58/620000958.db2.gz CVZXARFSYOFUQK-QAPCUYQASA-N 0 0 318.461 3.306 20 10 DGCDRN CCN(CC)c1ccc(CN(C)Cc2cn(C3CC3)nn2)cc1 ZINC000906253656 620076293 /nfs/dbraw/zinc/07/62/93/620076293.db2.gz ULTVRHBXYZTBFX-UHFFFAOYSA-N 0 0 313.449 3.091 20 10 DGCDRN C[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCO1 ZINC000906434603 620095201 /nfs/dbraw/zinc/09/52/01/620095201.db2.gz SNGQVGRAXXERTH-YJBOKZPZSA-N 0 0 316.445 3.108 20 10 DGCDRN C[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCO1 ZINC000906434601 620095242 /nfs/dbraw/zinc/09/52/42/620095242.db2.gz SNGQVGRAXXERTH-QAPCUYQASA-N 0 0 316.445 3.108 20 10 DGCDRN Oc1cccc(Cl)c1CNc1ccc(-n2nccn2)cc1 ZINC000149175465 620104776 /nfs/dbraw/zinc/10/47/76/620104776.db2.gz GFVRFXFHWCPEBH-UHFFFAOYSA-N 0 0 300.749 3.238 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CCOC2(CCCC2)C1 ZINC000906990144 620132105 /nfs/dbraw/zinc/13/21/05/620132105.db2.gz APDZZEBEDRDGIQ-CQSZACIVSA-N 0 0 303.402 3.090 20 10 DGCDRN COc1ccc(CNC(=O)C2(C3CCCCC3)CC2)c(O)c1 ZINC000907925172 620180462 /nfs/dbraw/zinc/18/04/62/620180462.db2.gz DWQYOMGIAKFBLS-UHFFFAOYSA-N 0 0 303.402 3.378 20 10 DGCDRN COc1ccc2c(c1)CCCN2CC(=O)Nc1ccccc1C ZINC000027578480 620228381 /nfs/dbraw/zinc/22/83/81/620228381.db2.gz OMHWEPHHEVMUJI-UHFFFAOYSA-N 0 0 310.397 3.395 20 10 DGCDRN CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NCc1ccc(O)cc1O ZINC000910950465 620318523 /nfs/dbraw/zinc/31/85/23/620318523.db2.gz FTTLFJDTRXLVSQ-MJEQTWJJSA-N 0 0 321.417 3.088 20 10 DGCDRN CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NCc1ccc(O)cc1O ZINC000910950468 620318553 /nfs/dbraw/zinc/31/85/53/620318553.db2.gz FTTLFJDTRXLVSQ-VMGRFDJRSA-N 0 0 321.417 3.088 20 10 DGCDRN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCc2ccc(O)cc2O)o1 ZINC000910952243 620318582 /nfs/dbraw/zinc/31/85/82/620318582.db2.gz UHLVCKFLFUGNMT-ABAIWWIYSA-N 0 0 315.369 3.063 20 10 DGCDRN CCC(CC)(C(=O)NCc1ccc(O)cc1O)c1ccccc1 ZINC000910950137 620318590 /nfs/dbraw/zinc/31/85/90/620318590.db2.gz CXPPKXXJWVHWIC-UHFFFAOYSA-N 0 0 313.397 3.472 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000910950299 620318620 /nfs/dbraw/zinc/31/86/20/620318620.db2.gz VXRATIOQOROMNZ-MELADBBJSA-N 0 0 303.402 3.321 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000910954963 620318982 /nfs/dbraw/zinc/31/89/82/620318982.db2.gz BNUJUJVBPPHHAU-CVEARBPZSA-N 0 0 315.344 3.047 20 10 DGCDRN CC(C)COc1cccc(C(=O)NCc2ccc(O)cc2O)c1 ZINC000910958799 620318999 /nfs/dbraw/zinc/31/89/99/620318999.db2.gz VDANEQPPOKHBNZ-UHFFFAOYSA-N 0 0 315.369 3.063 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000910943344 620319558 /nfs/dbraw/zinc/31/95/58/620319558.db2.gz NBDYEGHBVQBUSM-HUUCEWRRSA-N 0 0 311.381 3.298 20 10 DGCDRN Nc1ccc(NC(=O)C[C@H]2CCC[C@@H](C(F)(F)F)O2)cc1 ZINC000911659846 620339446 /nfs/dbraw/zinc/33/94/46/620339446.db2.gz FQHBLCHJZGJCCJ-NEPJUHHUSA-N 0 0 302.296 3.097 20 10 DGCDRN C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C1(C)CC1 ZINC000912069403 620363678 /nfs/dbraw/zinc/36/36/78/620363678.db2.gz ODKMISHGNUATES-CQSZACIVSA-N 0 0 301.434 3.275 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cn(C)nc2C2CCCC2)c1 ZINC000913000775 620419037 /nfs/dbraw/zinc/41/90/37/620419037.db2.gz VBJAJPZSMYRBTM-UHFFFAOYSA-N 0 0 313.401 3.022 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@H]2CCCCC2(C)C)c1 ZINC000151209149 620430948 /nfs/dbraw/zinc/43/09/48/620430948.db2.gz HVSHIPHVKQSNBT-HNNXBMFYSA-N 0 0 306.406 3.169 20 10 DGCDRN Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2C)cc1Cl ZINC000151874375 620478928 /nfs/dbraw/zinc/47/89/28/620478928.db2.gz XDXAAEVPYNXMHF-UHFFFAOYSA-N 0 0 311.790 3.463 20 10 DGCDRN O=C(Nc1cccnn1)N(Cc1ccco1)Cc1ccccc1O ZINC000151900954 620479831 /nfs/dbraw/zinc/47/98/31/620479831.db2.gz VMPMYGRCLSSTKY-UHFFFAOYSA-N 0 0 324.340 3.010 20 10 DGCDRN Cc1ncc(/C=C\C(=O)N2CCCc3cccc(O)c32)s1 ZINC000492380655 620490728 /nfs/dbraw/zinc/49/07/28/620490728.db2.gz QAWIIWUJJSYFQH-FPLPWBNLSA-N 0 0 300.383 3.150 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@H]2CCCc3cccnc32)cc1 ZINC000913927124 620493711 /nfs/dbraw/zinc/49/37/11/620493711.db2.gz VNZYYZNVJHCARR-KRWDZBQOSA-N 0 0 324.428 3.024 20 10 DGCDRN O=C(O[C@H]1CCOC1)N(Cc1ccccc1O)C1CCCC1 ZINC000914156783 620509358 /nfs/dbraw/zinc/50/93/58/620509358.db2.gz HGMGLNFPDQJALQ-HNNXBMFYSA-N 0 0 305.374 3.062 20 10 DGCDRN CC[C@@H](C)[C@@H](C)NC(=O)NCCCSc1nccs1 ZINC000152774404 620521243 /nfs/dbraw/zinc/52/12/43/620521243.db2.gz PJDKZUXFOTYZKE-GHMZBOCLSA-N 0 0 301.481 3.359 20 10 DGCDRN Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)on1 ZINC000914505405 620539765 /nfs/dbraw/zinc/53/97/65/620539765.db2.gz DPVULBOXZJAPCB-UHFFFAOYSA-N 0 0 301.390 3.100 20 10 DGCDRN C[C@H]1Cc2ccccc2N1C(=O)NCc1ccc(N(C)C)cc1 ZINC000914689131 620548593 /nfs/dbraw/zinc/54/85/93/620548593.db2.gz CTFMQHZLCZAUTA-AWEZNQCLSA-N 0 0 309.413 3.413 20 10 DGCDRN CN(C)c1ccc(CNc2cc(C(N)=O)c3ccccc3n2)cc1 ZINC000914863213 620558201 /nfs/dbraw/zinc/55/82/01/620558201.db2.gz OSFHBHJTBZPIRR-UHFFFAOYSA-N 0 0 320.396 3.012 20 10 DGCDRN c1cc(N(C[C@H]2CCCO2)C[C@H]2CCCO2)cc2c1CCC2 ZINC000914867440 620558591 /nfs/dbraw/zinc/55/85/91/620558591.db2.gz WFIYHTZKNGWMOT-RTBURBONSA-N 0 0 301.430 3.340 20 10 DGCDRN Cc1cc(C(=O)O[C@H]2CCCCC2=O)c(C)n1-c1ccccn1 ZINC000914905182 620560321 /nfs/dbraw/zinc/56/03/21/620560321.db2.gz FSSBUOHXBFDHLX-INIZCTEOSA-N 0 0 312.369 3.158 20 10 DGCDRN Cc1cc(C(=O)NCc2ccsc2)c(C)n1-c1ccccn1 ZINC000915288991 620578591 /nfs/dbraw/zinc/57/85/91/620578591.db2.gz ANJYNGGNFHVPQM-UHFFFAOYSA-N 0 0 311.410 3.481 20 10 DGCDRN O=S(=O)(/C=C\c1ccc(Cl)cc1)Nc1ccc(O)cc1 ZINC000916106468 620617384 /nfs/dbraw/zinc/61/73/84/620617384.db2.gz LUTFIJDHXGQEPB-KTKRTIGZSA-N 0 0 309.774 3.458 20 10 DGCDRN Cn1c(-c2ccccc2)cnc1SC[C@H]1CCC2(COC2)O1 ZINC000916203204 620621537 /nfs/dbraw/zinc/62/15/37/620621537.db2.gz LYLPXIPGCPYQAE-CQSZACIVSA-N 0 0 316.426 3.127 20 10 DGCDRN CCC/C(C)=C\C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000920882524 620826571 /nfs/dbraw/zinc/82/65/71/620826571.db2.gz RRIOTQOUASBWGW-FCFCDCELSA-N 0 0 316.445 3.447 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)cc1 ZINC000921380699 620852056 /nfs/dbraw/zinc/85/20/56/620852056.db2.gz DXUYMMODDAZHSK-FPMFFAJLSA-N 0 0 300.362 3.158 20 10 DGCDRN CC[C@@H](CC(C)C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855222823 620881202 /nfs/dbraw/zinc/88/12/02/620881202.db2.gz AZUDLAYSFOBQRU-HOTGVXAUSA-N 0 0 318.461 3.462 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)CCCC(C)C)C2)cc1 ZINC000855224037 620881686 /nfs/dbraw/zinc/88/16/86/620881686.db2.gz DTCCWDYREGCHQV-HNNXBMFYSA-N 0 0 304.434 3.216 20 10 DGCDRN CC[C@@H]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855224309 620881924 /nfs/dbraw/zinc/88/19/24/620881924.db2.gz FGXXPOGZQCDWGM-IIDMSEBBSA-N 0 0 316.445 3.216 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)CC3CCCCC3)C2)cc1 ZINC000855229198 620882192 /nfs/dbraw/zinc/88/21/92/620882192.db2.gz LAOFVLTWVWOXHT-MRXNPFEDSA-N 0 0 316.445 3.361 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)c3cc(C)cs3)C2)cc1 ZINC000855227816 620882283 /nfs/dbraw/zinc/88/22/83/620882283.db2.gz ZNYXHKCLEDBWPY-ZDUSSCGKSA-N 0 0 316.426 3.074 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)C3CCCCCC3)C2)cc1 ZINC000855229362 620882339 /nfs/dbraw/zinc/88/23/39/620882339.db2.gz JHVDJTVVCFTIIV-MRXNPFEDSA-N 0 0 316.445 3.361 20 10 DGCDRN CCC(C)(CC)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855228186 620882362 /nfs/dbraw/zinc/88/23/62/620882362.db2.gz XAPAHOTXYFMWGJ-CQSZACIVSA-N 0 0 304.434 3.216 20 10 DGCDRN CCC[C@@H](C)CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855229224 620882492 /nfs/dbraw/zinc/88/24/92/620882492.db2.gz ITIVAIHTRBYVGO-CABCVRRESA-N 0 0 304.434 3.216 20 10 DGCDRN COCCN(CCF)C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000855589589 620916747 /nfs/dbraw/zinc/91/67/47/620916747.db2.gz OAFLTXUEMYSZSS-UHFFFAOYSA-N 0 0 318.392 3.152 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000855596370 620917433 /nfs/dbraw/zinc/91/74/33/620917433.db2.gz BJZNYHJNOJFIEN-CQSZACIVSA-N 0 0 319.382 3.041 20 10 DGCDRN CO[C@H](C)c1nc(CNCc2ccc3c(c2)CCCO3)cs1 ZINC000921823996 620955897 /nfs/dbraw/zinc/95/58/97/620955897.db2.gz JVEDXCCXHQRKQV-GFCCVEGCSA-N 0 0 318.442 3.465 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C=C/c1cnccc1C)CCC2 ZINC000856076643 620958384 /nfs/dbraw/zinc/95/83/84/620958384.db2.gz GWXGLXJFSASWBI-SOFGYWHQSA-N 0 0 308.381 3.391 20 10 DGCDRN CC[C@@H](C)CCC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856213385 620972708 /nfs/dbraw/zinc/97/27/08/620972708.db2.gz JOGMZSACUYEBJG-OAHLLOKOSA-N 0 0 318.461 3.090 20 10 DGCDRN OC1CCN(c2ccc(CNc3cc(Cl)ccn3)cc2)CC1 ZINC000922190080 621004098 /nfs/dbraw/zinc/00/40/98/621004098.db2.gz FGSRWFMZDKITEH-UHFFFAOYSA-N 0 0 317.820 3.308 20 10 DGCDRN CCc1ccc(CCC(=O)NCc2cc(OC)ccc2O)cc1 ZINC000114543261 621009275 /nfs/dbraw/zinc/00/92/75/621009275.db2.gz YZKCAKXAALJQQM-UHFFFAOYSA-N 0 0 313.397 3.212 20 10 DGCDRN COc1ccc(O)c(CNC(=O)CCc2c[nH]c3ccccc23)c1 ZINC000114540781 621009290 /nfs/dbraw/zinc/00/92/90/621009290.db2.gz OEAZBPGIVKKRHC-UHFFFAOYSA-N 0 0 324.380 3.131 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCCO[C@@H]1CCCCO1 ZINC000922234525 621010905 /nfs/dbraw/zinc/01/09/05/621010905.db2.gz YKALLIJUJSWYDJ-CQSZACIVSA-N 0 0 317.788 3.208 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2cccc(C)c2C)c1 ZINC000114564428 621015350 /nfs/dbraw/zinc/01/53/50/621015350.db2.gz UIVUZHSJXMJMAU-UHFFFAOYSA-N 0 0 300.358 3.339 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2cc(C)ccc2C)c1 ZINC000114564254 621015491 /nfs/dbraw/zinc/01/54/91/621015491.db2.gz QYWIYQUNBAIHNG-UHFFFAOYSA-N 0 0 300.358 3.339 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2ccc(C)cc2F)c1 ZINC000114565702 621015614 /nfs/dbraw/zinc/01/56/14/621015614.db2.gz SQOLNOMFMDMNCI-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NCc2ccc(C)cc2C)c1 ZINC000114589968 621016463 /nfs/dbraw/zinc/01/64/63/621016463.db2.gz JKYAXTUYJJLDQI-UHFFFAOYSA-N 0 0 314.385 3.017 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NCc2cccc(Cl)c2)c1 ZINC000114582050 621016507 /nfs/dbraw/zinc/01/65/07/621016507.db2.gz JOKBAYMZXVFAJX-UHFFFAOYSA-N 0 0 320.776 3.054 20 10 DGCDRN COc1ccc(N(C)Cc2cn(C)nc2Cl)cc1Cl ZINC000857037911 621048751 /nfs/dbraw/zinc/04/87/51/621048751.db2.gz BDGDOBWPVBEJFU-UHFFFAOYSA-N 0 0 300.189 3.372 20 10 DGCDRN CCOc1ccc(CN[C@H]2c3ccccc3OC[C@@H]2F)c(O)c1 ZINC000922524516 621050656 /nfs/dbraw/zinc/05/06/56/621050656.db2.gz DPKMYQFECDRNKW-YJBOKZPZSA-N 0 0 317.360 3.352 20 10 DGCDRN Cc1cc(CO)cc(C)c1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000922562246 621055871 /nfs/dbraw/zinc/05/58/71/621055871.db2.gz IZSSCSNBQDGQEB-UHFFFAOYSA-N 0 0 307.340 3.069 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1csc(C2CC2)n1 ZINC000115280192 621092842 /nfs/dbraw/zinc/09/28/42/621092842.db2.gz BHYPLCVRUFKAAP-UHFFFAOYSA-N 0 0 315.442 3.325 20 10 DGCDRN CSc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)o1 ZINC000115280104 621093086 /nfs/dbraw/zinc/09/30/86/621093086.db2.gz BAFVEBIXIWWZIQ-UHFFFAOYSA-N 0 0 304.415 3.306 20 10 DGCDRN Cc1noc(C)c1[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000115281320 621094357 /nfs/dbraw/zinc/09/43/57/621094357.db2.gz AAOZEVKXXHMBLV-GFCCVEGCSA-N 0 0 315.417 3.086 20 10 DGCDRN Cc1ccc(F)cc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000115281844 621094451 /nfs/dbraw/zinc/09/44/51/621094451.db2.gz JHODXPZIYZPXGH-UHFFFAOYSA-N 0 0 300.377 3.439 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CSc1ccccc1 ZINC000115280803 621094470 /nfs/dbraw/zinc/09/44/70/621094470.db2.gz QHWNJZOWPBVWFN-UHFFFAOYSA-N 0 0 314.454 3.470 20 10 DGCDRN Cc1cccc(OCC(=O)NCc2cc(Cl)ccc2O)c1 ZINC000857546779 621095139 /nfs/dbraw/zinc/09/51/39/621095139.db2.gz ICQVXWWOCCZZOL-UHFFFAOYSA-N 0 0 305.761 3.049 20 10 DGCDRN CCCc1cc(NCc2ccc(N(C)C)cc2C)n2ncnc2n1 ZINC000115521886 621117604 /nfs/dbraw/zinc/11/76/04/621117604.db2.gz BRIAOBPZZNICBA-UHFFFAOYSA-N 0 0 324.432 3.063 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccccc1F ZINC000115640490 621120993 /nfs/dbraw/zinc/12/09/93/621120993.db2.gz QMXMOTFNWVOABF-UHFFFAOYSA-N 0 0 315.392 3.200 20 10 DGCDRN COC[C@@H](C[NH2+]Cc1cccc(Br)c1[O-])C(C)C ZINC000922949686 621136432 /nfs/dbraw/zinc/13/64/32/621136432.db2.gz PIRWGCDBKYXRTD-GFCCVEGCSA-N 0 0 316.239 3.163 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCC2(c3ccccc3)CC2)c1 ZINC000858107016 621153670 /nfs/dbraw/zinc/15/36/70/621153670.db2.gz XXKSUTJISASMDA-UHFFFAOYSA-N 0 0 310.397 3.232 20 10 DGCDRN Cc1noc(C)c1[C@H](C)NCc1cc(F)c(N(C)C)cc1F ZINC000858136986 621157000 /nfs/dbraw/zinc/15/70/00/621157000.db2.gz BXZDJFJKAXADMP-VIFPVBQESA-N 0 0 309.360 3.486 20 10 DGCDRN Cc1nnc([C@@H](C)NCc2cc(F)c(N(C)C)cc2F)s1 ZINC000858156204 621159721 /nfs/dbraw/zinc/15/97/21/621159721.db2.gz DQOKTBIBLTYTBD-MRVPVSSYSA-N 0 0 312.389 3.042 20 10 DGCDRN CO[C@H]1CCCC[C@@H]1[NH2+]Cc1c(O)cccc1Br ZINC000858162134 621160260 /nfs/dbraw/zinc/16/02/60/621160260.db2.gz PPKTVISFDORHSL-JSGCOSHPSA-N 0 0 314.223 3.202 20 10 DGCDRN C/C=C/CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000858204543 621164700 /nfs/dbraw/zinc/16/47/00/621164700.db2.gz HVASUURECIOERC-ONEGZZNKSA-N 0 0 301.434 3.298 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCCOC2CCCCCC2)c1 ZINC000858232491 621166575 /nfs/dbraw/zinc/16/65/75/621166575.db2.gz ZAULWKKLZQHMGF-UHFFFAOYSA-N 0 0 320.433 3.239 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCC(C)(C)[C@@H]2CCCCO2)c1 ZINC000858295838 621172923 /nfs/dbraw/zinc/17/29/23/621172923.db2.gz JYWWGOVKAQCELS-INIZCTEOSA-N 0 0 320.433 3.095 20 10 DGCDRN COCc1ccc(NCc2c(O)cccc2OC)cc1OC ZINC000858310280 621174098 /nfs/dbraw/zinc/17/40/98/621174098.db2.gz UIFRPBSNRIWNHG-UHFFFAOYSA-N 0 0 303.358 3.168 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000858331991 621176576 /nfs/dbraw/zinc/17/65/76/621176576.db2.gz DNCRUNARVWNDON-GOEBONIOSA-N 0 0 320.433 3.094 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCCC2C[C@@H](C)O[C@H](C)C2)c1 ZINC000858432838 621190508 /nfs/dbraw/zinc/19/05/08/621190508.db2.gz NAYWEBWSNOBOSW-ZIAGYGMSSA-N 0 0 320.433 3.094 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CC=C(C(=O)OC)C1)c1cccc(Cl)c1[O-] ZINC000858471148 621194838 /nfs/dbraw/zinc/19/48/38/621194838.db2.gz BMZVUXAIWIOJML-RISCZKNCSA-N 0 0 309.793 3.348 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1ccc(Cl)cc1[O-] ZINC000858480389 621196630 /nfs/dbraw/zinc/19/66/30/621196630.db2.gz SPHDAAJQPBNKGL-JQWIXIFHSA-N 0 0 318.795 3.426 20 10 DGCDRN CC(=O)N(C)c1ccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000858495785 621197991 /nfs/dbraw/zinc/19/79/91/621197991.db2.gz KEOBONIMZYMZCF-GFCCVEGCSA-N 0 0 316.376 3.365 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC2CCC(C(F)F)CC2)c1 ZINC000858534996 621202774 /nfs/dbraw/zinc/20/27/74/621202774.db2.gz MDAOCRPAHLOMDD-UHFFFAOYSA-N 0 0 312.360 3.324 20 10 DGCDRN CCC1(c2ccccc2)CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000838188283 621221523 /nfs/dbraw/zinc/22/15/23/621221523.db2.gz ATYJSQZLZXZVLR-PKNBQFBNSA-N 0 0 323.392 3.301 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@]2(C)C[C@H]3C[C@H]3C2)c1 ZINC000858890471 621229059 /nfs/dbraw/zinc/22/90/59/621229059.db2.gz KDNYQFBZSSSZDU-JWXAPSBJSA-N 0 0 318.417 3.197 20 10 DGCDRN COc1cncc(CN2CCCc3cc(OC(F)F)ccc32)n1 ZINC000859174178 621257165 /nfs/dbraw/zinc/25/71/65/621257165.db2.gz VASKWGVAUJIJAX-UHFFFAOYSA-N 0 0 321.327 3.039 20 10 DGCDRN CC1(C2(NC(=O)NCc3ccc(N4CC=CC4)cc3)CC2)CC1 ZINC000838487128 621259417 /nfs/dbraw/zinc/25/94/17/621259417.db2.gz XFWCMHSLPLKNDK-UHFFFAOYSA-N 0 0 311.429 3.195 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)OCCC(C)C)C2)cc1 ZINC000859217550 621261912 /nfs/dbraw/zinc/26/19/12/621261912.db2.gz NQPVIEZWZZIVET-CQSZACIVSA-N 0 0 306.406 3.046 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NC[C@@]1(C)CC1(Cl)Cl ZINC000838667635 621270864 /nfs/dbraw/zinc/27/08/64/621270864.db2.gz IKZJOMRKQZEPHU-CYBMUJFWSA-N 0 0 317.216 3.118 20 10 DGCDRN CC(C)c1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)cn1 ZINC000121340715 621271742 /nfs/dbraw/zinc/27/17/42/621271742.db2.gz QEDVWUUOPWQISO-UHFFFAOYSA-N 0 0 315.392 3.340 20 10 DGCDRN Cc1cc(CNS(=O)(=O)C2(C)CC2)c(C)n1-c1ccccc1 ZINC000859362748 621272281 /nfs/dbraw/zinc/27/22/81/621272281.db2.gz KGLJCCGWYXQQEB-UHFFFAOYSA-N 0 0 318.442 3.066 20 10 DGCDRN CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000839147134 621332913 /nfs/dbraw/zinc/33/29/13/621332913.db2.gz DSFHFGZUFWOAPN-TXEJJXNPSA-N 0 0 314.223 3.200 20 10 DGCDRN Cc1cc(CNC(C)(C)C(=O)OC(C)(C)C)ccc1N(C)C ZINC000859961580 621350477 /nfs/dbraw/zinc/35/04/77/621350477.db2.gz MRFIFQUEYHKIJE-UHFFFAOYSA-N 0 0 306.450 3.271 20 10 DGCDRN C/C(=C/C(=O)N1CCCc2cc(C)cc(C)c21)c1cnccn1 ZINC000839296310 621355413 /nfs/dbraw/zinc/35/54/13/621355413.db2.gz KHROGCLKRSCHAR-KAMYIIQDSA-N 0 0 307.397 3.476 20 10 DGCDRN Cc1ccc(CO[C@H](C)C(=O)N(C)Cc2ccccc2O)cc1 ZINC000860048765 621359085 /nfs/dbraw/zinc/35/90/85/621359085.db2.gz DBUPSWUBYYPNPN-OAHLLOKOSA-N 0 0 313.397 3.264 20 10 DGCDRN C/C(=C/C(=O)N1CCCc2ccc(C)c(F)c21)c1cnccn1 ZINC000839440934 621374319 /nfs/dbraw/zinc/37/43/19/621374319.db2.gz DJLAEEZZOOPZCH-RAXLEYEMSA-N 0 0 311.360 3.307 20 10 DGCDRN CC1(C)Cc2cccc(NC(=O)NCc3ccccc3O)c2O1 ZINC000789394081 625484422 /nfs/dbraw/zinc/48/44/22/625484422.db2.gz YKKPHZDXMZYPSN-UHFFFAOYSA-N 0 0 312.369 3.427 20 10 DGCDRN C[C@@H](NC(=O)C1=CC(=O)CS1)c1nc(C2CCCCC2)no1 ZINC000752808496 621411315 /nfs/dbraw/zinc/41/13/15/621411315.db2.gz VGSMISXVWLFIAZ-SECBINFHSA-N 0 0 321.402 3.375 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(OC)cn1 ZINC000752825471 621412312 /nfs/dbraw/zinc/41/23/12/621412312.db2.gz FXYBJDLKGQATHE-UHFFFAOYSA-N 0 0 315.373 3.240 20 10 DGCDRN CCOc1ccc(CN[C@@H](C)c2nnc([C@@H](C)CC)[nH]2)c(O)c1 ZINC000752923785 621416068 /nfs/dbraw/zinc/41/60/68/621416068.db2.gz GSQOIAUURAILSG-RYUDHWBXSA-N 0 0 318.421 3.273 20 10 DGCDRN CCOc1ccc(CN[C@H](C)c2nnc([C@@H](C)CC)[nH]2)c(O)c1 ZINC000752923784 621416218 /nfs/dbraw/zinc/41/62/18/621416218.db2.gz GSQOIAUURAILSG-NWDGAFQWSA-N 0 0 318.421 3.273 20 10 DGCDRN Cn1cc(/C=C/C(=O)N(CC(F)(F)F)c2ccccc2)cn1 ZINC000117655311 621429210 /nfs/dbraw/zinc/42/92/10/621429210.db2.gz VAVBSASLCHDVLK-BQYQJAHWSA-N 0 0 309.291 3.029 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccn(CCC(C)C)n2)c1 ZINC000860788579 621443478 /nfs/dbraw/zinc/44/34/78/621443478.db2.gz UAPXGJVFJOYHKC-UHFFFAOYSA-N 0 0 316.405 3.265 20 10 DGCDRN COC(=O)COc1ccc(N(C)Cc2ccc(Cl)o2)cc1 ZINC000753592416 621452436 /nfs/dbraw/zinc/45/24/36/621452436.db2.gz XVSKSMFGIHNGSP-UHFFFAOYSA-N 0 0 309.749 3.121 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc(C)o1 ZINC000753971397 621475970 /nfs/dbraw/zinc/47/59/70/621475970.db2.gz SBTYGYIMPRXHIU-UHFFFAOYSA-N 0 0 300.402 3.245 20 10 DGCDRN COc1cccc(CNC(=O)Cc2cccc(C)c2Cl)c1O ZINC000754207634 621497129 /nfs/dbraw/zinc/49/71/29/621497129.db2.gz QFSBRHFXPCEBKJ-UHFFFAOYSA-N 0 0 319.788 3.222 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)NCCOC(C)C)cc1 ZINC000754301049 621501894 /nfs/dbraw/zinc/50/18/94/621501894.db2.gz GOFSRHHMEMLDDV-UHFFFAOYSA-N 0 0 321.465 3.099 20 10 DGCDRN O=C(NCCOCc1ccc(Cl)cc1)C1=CC(=O)CS1 ZINC000754481135 621512559 /nfs/dbraw/zinc/51/25/59/621512559.db2.gz DUAIZGBWKMNSCY-UHFFFAOYSA-N 0 0 311.790 3.054 20 10 DGCDRN O=C(/C=C\C1CC1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000754551084 621516232 /nfs/dbraw/zinc/51/62/32/621516232.db2.gz KAUPROUPZNQLIY-YFHOEESVSA-N 0 0 317.344 3.367 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCOC(C)C ZINC000754598802 621520006 /nfs/dbraw/zinc/52/00/06/621520006.db2.gz SHKNOZXLUMYGRO-UHFFFAOYSA-N 0 0 306.431 3.310 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)c2cc(C)n(C)c2C)cc1 ZINC000754656139 621523019 /nfs/dbraw/zinc/52/30/19/621523019.db2.gz DMYUEAWYLJULDL-UHFFFAOYSA-N 0 0 300.402 3.360 20 10 DGCDRN CN(C)c1cccc(CNC(=S)Nc2ccc(Cl)cc2)n1 ZINC000754691643 621524943 /nfs/dbraw/zinc/52/49/43/621524943.db2.gz IFTIOCKBCXOLLT-UHFFFAOYSA-N 0 0 320.849 3.288 20 10 DGCDRN C/C=C\C[C@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000861639139 621530799 /nfs/dbraw/zinc/53/07/99/621530799.db2.gz AMSKSCDPIMQLFS-YPQKKHBXSA-N 0 0 301.434 3.199 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)C12CC(C1)C2 ZINC000861767446 621536636 /nfs/dbraw/zinc/53/66/36/621536636.db2.gz YZVKQFJJULCVBW-UHFFFAOYSA-N 0 0 304.353 3.135 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC(C2CC2)C1 ZINC000861788118 621537964 /nfs/dbraw/zinc/53/79/64/621537964.db2.gz ZFBGLEJQDKLROO-UHFFFAOYSA-N 0 0 322.408 3.389 20 10 DGCDRN Cc1cc(C(=O)NCC[C@H](C)O)c(C)n1-c1cccc(Cl)c1 ZINC000118719335 621552064 /nfs/dbraw/zinc/55/20/64/621552064.db2.gz ZQKAAWJXSPWQNT-LBPRGKRZSA-N 0 0 320.820 3.248 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@H]2C[C@H]2C1 ZINC000862220760 621562987 /nfs/dbraw/zinc/56/29/87/621562987.db2.gz ZUKJRNLJRISYER-HOTGVXAUSA-N 0 0 322.408 3.389 20 10 DGCDRN Cc1ncsc1CN(C)Cc1cc(F)c(N(C)C)cc1F ZINC000862238858 621565332 /nfs/dbraw/zinc/56/53/32/621565332.db2.gz MPHGSUJEEWBGSU-UHFFFAOYSA-N 0 0 311.401 3.428 20 10 DGCDRN CCn1cc(CN(C)Cc2c(O)cccc2Br)cn1 ZINC000862244941 621566858 /nfs/dbraw/zinc/56/68/58/621566858.db2.gz HYXAKIOXOJHVSB-UHFFFAOYSA-N 0 0 324.222 3.003 20 10 DGCDRN CCOC(=O)c1cccc(CN(C)c2ccc(OC)c(F)c2)n1 ZINC000862306852 621573920 /nfs/dbraw/zinc/57/39/20/621573920.db2.gz PWQVACSFNICMDQ-UHFFFAOYSA-N 0 0 318.348 3.042 20 10 DGCDRN CN(C)c1cc(F)c(CN2CCC[C@H]2c2ncc[nH]2)cc1F ZINC000862325992 621574328 /nfs/dbraw/zinc/57/43/28/621574328.db2.gz IDHVTCZQOUKRCZ-AWEZNQCLSA-N 0 0 306.360 3.091 20 10 DGCDRN CN(C)c1cc(F)c(CN2CC(CC(F)(F)F)C2)cc1F ZINC000862389253 621582846 /nfs/dbraw/zinc/58/28/46/621582846.db2.gz ICHABDZFEGSQSI-UHFFFAOYSA-N 0 0 308.294 3.415 20 10 DGCDRN COCC1(C2CCC2)CN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862412007 621586697 /nfs/dbraw/zinc/58/66/97/621586697.db2.gz ISHJKFVAASROPO-UHFFFAOYSA-N 0 0 324.415 3.279 20 10 DGCDRN C/C=C\C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000862551697 621600886 /nfs/dbraw/zinc/60/08/86/621600886.db2.gz XSTYHYYSCNQXEP-DHCBQETCSA-N 0 0 320.389 3.487 20 10 DGCDRN COc1ccc(N2CCN(C(=O)[C@@H](C)c3ccccc3)CC2)cc1 ZINC000119036232 621608824 /nfs/dbraw/zinc/60/88/24/621608824.db2.gz NLBSNEQBTWFWMX-INIZCTEOSA-N 0 0 324.424 3.148 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cccc(N3CCCC3)c2)c1 ZINC000862754249 621613174 /nfs/dbraw/zinc/61/31/74/621613174.db2.gz VXRLLPNXTXIEGH-UHFFFAOYSA-N 0 0 310.397 3.231 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)C[C@@]2(C)CC2(Cl)Cl)c1 ZINC000862754789 621613903 /nfs/dbraw/zinc/61/39/03/621613903.db2.gz KJQFHINWFODACM-ZDUSSCGKSA-N 0 0 302.201 3.291 20 10 DGCDRN CC[C@@H](Oc1ccccc1C)C(=O)NCc1cc(C)ccc1O ZINC000862758150 621614278 /nfs/dbraw/zinc/61/42/78/621614278.db2.gz QGQCGUIXHHPERJ-QGZVFWFLSA-N 0 0 313.397 3.483 20 10 DGCDRN CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1cc(C)ccc1O ZINC000862758212 621614288 /nfs/dbraw/zinc/61/42/88/621614288.db2.gz SREVYZHUNJLFKX-GOSISDBHSA-N 0 0 313.397 3.483 20 10 DGCDRN CCc1c(C(=O)NCc2cc(C)ccc2O)[nH]c(C)c1C(C)=O ZINC000862758930 621614386 /nfs/dbraw/zinc/61/43/86/621614386.db2.gz QPWJWOYSSCHOMB-UHFFFAOYSA-N 0 0 314.385 3.032 20 10 DGCDRN CCCc1nc(C)c(C(=O)NCc2cc(C)ccc2O)s1 ZINC000862760858 621614750 /nfs/dbraw/zinc/61/47/50/621614750.db2.gz XNICODBPISVKJA-UHFFFAOYSA-N 0 0 304.415 3.348 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)C[C@@H]2CCOc3ccccc32)c1 ZINC000862761006 621614849 /nfs/dbraw/zinc/61/48/49/621614849.db2.gz ZVBRWYTVTQRJAC-AWEZNQCLSA-N 0 0 311.381 3.273 20 10 DGCDRN C[C@@H](CCC(=O)[O-])C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000756313025 621627263 /nfs/dbraw/zinc/62/72/63/621627263.db2.gz TURHWANEZDKQQI-HNNXBMFYSA-N 0 0 304.434 3.267 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCc2cccc(F)c2)c1 ZINC000756360355 621631095 /nfs/dbraw/zinc/63/10/95/621631095.db2.gz RXVGHSGHOJDTDU-GFCCVEGCSA-N 0 0 317.360 3.211 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)CCc2ccco2)c1 ZINC000756357806 621631116 /nfs/dbraw/zinc/63/11/16/621631116.db2.gz PSFBNMXPKQVUFJ-STQMWFEESA-N 0 0 317.385 3.444 20 10 DGCDRN C[C@@]1(C(=O)[O-])CCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000756385419 621634018 /nfs/dbraw/zinc/63/40/18/621634018.db2.gz DMOIKIDJWUTQAC-PKOBYXMFSA-N 0 0 316.445 3.410 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@]2(C)C(=O)[O-])cc1F ZINC000756390262 621634720 /nfs/dbraw/zinc/63/47/20/621634720.db2.gz TZPAZKZSFXQVBE-AEFFLSMTSA-N 0 0 322.424 3.405 20 10 DGCDRN C[C@H]([NH2+]C[C@H](C)N1CCC[C@@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756413097 621636808 /nfs/dbraw/zinc/63/68/08/621636808.db2.gz XPEOPVFXNUCGNP-RDBSUJKOSA-N 0 0 321.421 3.071 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(Cl)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756432578 621638349 /nfs/dbraw/zinc/63/83/49/621638349.db2.gz JERUXNAZJQDIBP-SECBINFHSA-N 0 0 307.737 3.200 20 10 DGCDRN C[C@H]([NH2+]CCN(C)Cc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756448634 621639199 /nfs/dbraw/zinc/63/91/99/621639199.db2.gz DMDGHRNDIADNOR-ZDUSSCGKSA-N 0 0 320.383 3.453 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)CN1CCC[C@@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000756460795 621639932 /nfs/dbraw/zinc/63/99/32/621639932.db2.gz SYFHVLYZZDDQNB-FRRDWIJNSA-N 0 0 312.404 3.441 20 10 DGCDRN Cc1ccc([C@H](O)C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756461534 621640182 /nfs/dbraw/zinc/64/01/82/621640182.db2.gz UIBILNSCGGZCJT-BDJLRTHQSA-N 0 0 307.340 3.363 20 10 DGCDRN Cc1cc(CNC(=O)[C@@H]2CCOC2)c(C)n1-c1cccc(C)c1 ZINC000863160875 621643595 /nfs/dbraw/zinc/64/35/95/621643595.db2.gz CTQNWIFGYWCFAQ-MRXNPFEDSA-N 0 0 312.413 3.055 20 10 DGCDRN CC[C@H](CO)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC000863161881 621643807 /nfs/dbraw/zinc/64/38/07/621643807.db2.gz LOSONDVYMHTBLX-MRXNPFEDSA-N 0 0 314.429 3.037 20 10 DGCDRN CCO[C@@H](C)C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000863166510 621644505 /nfs/dbraw/zinc/64/45/05/621644505.db2.gz VZGKNSNPPSLJOX-HNNXBMFYSA-N 0 0 300.402 3.135 20 10 DGCDRN Cc1csc([C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000756537105 621645739 /nfs/dbraw/zinc/64/57/39/621645739.db2.gz VWKCQFGJZKYOAV-VHSXEESVSA-N 0 0 307.375 3.477 20 10 DGCDRN CCC[C@@H](O)C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756578005 621650803 /nfs/dbraw/zinc/65/08/03/621650803.db2.gz UQHLDGIBLCRITA-RKDXNWHRSA-N 0 0 320.202 3.105 20 10 DGCDRN C[C@H]([NH2+]CCCNc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756589554 621651363 /nfs/dbraw/zinc/65/13/63/621651363.db2.gz MFNHRWLDUXXEFK-ZDUSSCGKSA-N 0 0 315.373 3.453 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756605664 621652342 /nfs/dbraw/zinc/65/23/42/621652342.db2.gz ULBZUUQNYVEZAD-GXTWGEPZSA-N 0 0 321.367 3.487 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756636301 621654462 /nfs/dbraw/zinc/65/44/62/621654462.db2.gz WSCURNSFWAEQOQ-AAEUAGOBSA-N 0 0 307.340 3.097 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc(F)cc(F)c1[O-] ZINC000756686944 621658217 /nfs/dbraw/zinc/65/82/17/621658217.db2.gz UHBSMWOUNRKLIB-VIFPVBQESA-N 0 0 308.284 3.429 20 10 DGCDRN Cc1ccncc1[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756674934 621658530 /nfs/dbraw/zinc/65/85/30/621658530.db2.gz DOHVXYLZDKJKSN-RYUDHWBXSA-N 0 0 301.346 3.416 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CCSC1)c1cc(Br)cc(F)c1[O-] ZINC000756730855 621661440 /nfs/dbraw/zinc/66/14/40/621661440.db2.gz CAVAHPSCJHHFHC-APPZFPTMSA-N 0 0 320.227 3.450 20 10 DGCDRN C[C@@H]([NH2+]CCSCC(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756780912 621664393 /nfs/dbraw/zinc/66/43/93/621664393.db2.gz ZDIAMVPWDFJXGM-MRVPVSSYSA-N 0 0 324.324 3.247 20 10 DGCDRN COc1cc(C)cc(CN2CCOc3cc(F)ccc3C2)c1O ZINC000863340737 621664704 /nfs/dbraw/zinc/66/47/04/621664704.db2.gz QFJBDOPKHDIKEJ-UHFFFAOYSA-N 0 0 317.360 3.243 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-])C(C)(C)O ZINC000756817365 621666626 /nfs/dbraw/zinc/66/66/26/621666626.db2.gz FJYRRJKDZFFNBB-JGVFFNPUSA-N 0 0 320.202 3.104 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])C(C)(C)O ZINC000756820569 621666730 /nfs/dbraw/zinc/66/67/30/621666730.db2.gz YHHUJONALKALBM-JGVFFNPUSA-N 0 0 320.202 3.104 20 10 DGCDRN CC[C@H]1CC[C@@H](C(=O)N(C)Cc2ccc(N(CC)CC)cc2)O1 ZINC000756906774 621672003 /nfs/dbraw/zinc/67/20/03/621672003.db2.gz ASJAYFGGDVLABB-ROUUACIJSA-N 0 0 318.461 3.449 20 10 DGCDRN CC[C@H]1CC[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)O1 ZINC000756923034 621673286 /nfs/dbraw/zinc/67/32/86/621673286.db2.gz BJZVCEDHPLZANT-ROUUACIJSA-N 0 0 316.445 3.251 20 10 DGCDRN Cc1cc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)ccc1N(C)C ZINC000863476267 621676724 /nfs/dbraw/zinc/67/67/24/621676724.db2.gz YRVHOKRWNBLYMD-BQFCYCMXSA-N 0 0 316.445 3.136 20 10 DGCDRN CC(C)N(Cc1ccccc1)C(=O)CN(C)c1ccc(N)cc1 ZINC000863556615 621682926 /nfs/dbraw/zinc/68/29/26/621682926.db2.gz VYINHBNWYHEVPZ-UHFFFAOYSA-N 0 0 311.429 3.142 20 10 DGCDRN Cc1sc(NC(=O)CN(C)c2ccc(N)cc2)c(C)c1C ZINC000863557666 621683440 /nfs/dbraw/zinc/68/34/40/621683440.db2.gz RYYKQERHOHCFDP-UHFFFAOYSA-N 0 0 303.431 3.330 20 10 DGCDRN CCOC[C@H](O)CNc1ccc(Nc2cccc(OC)c2)cc1 ZINC000863571353 621684348 /nfs/dbraw/zinc/68/43/48/621684348.db2.gz WPIRHFZNZRKWHD-QGZVFWFLSA-N 0 0 316.401 3.248 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccccc2OC)c1 ZINC000103503320 621697178 /nfs/dbraw/zinc/69/71/78/621697178.db2.gz DVYPDWVMBOGQEZ-NSHDSACASA-N 0 0 316.357 3.292 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCCC[C@H]2C)c1 ZINC000103506186 621697636 /nfs/dbraw/zinc/69/76/36/621697636.db2.gz HZJBEQANPNSTMK-XUJVJEKNSA-N 0 0 306.406 3.340 20 10 DGCDRN COc1cc2c(c(OC)c1)N(Cc1ncc(Cl)n1C)CCC2 ZINC000839655997 621704463 /nfs/dbraw/zinc/70/44/63/621704463.db2.gz YCXIZTQJISOPHP-UHFFFAOYSA-N 0 0 321.808 3.044 20 10 DGCDRN Cc1cccc2[nH]cc(CC(=O)N(C)Cc3ccccc3O)c21 ZINC000103520583 621710061 /nfs/dbraw/zinc/71/00/61/621710061.db2.gz KHHXJRSKAOGZTJ-UHFFFAOYSA-N 0 0 308.381 3.383 20 10 DGCDRN C/C=C\C[C@@H]1CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000863820394 621711153 /nfs/dbraw/zinc/71/11/53/621711153.db2.gz YEMFOPBBBSQJIW-MJCLHDTHSA-N 0 0 301.386 3.316 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)c1cncnc1 ZINC000863913661 621718334 /nfs/dbraw/zinc/71/83/34/621718334.db2.gz XUWMKEAVKLGBDU-AWEZNQCLSA-N 0 0 313.401 3.115 20 10 DGCDRN CCCCCCO[C@H](C)C(=O)NCc1ccc(OC)cc1O ZINC000839747546 621719806 /nfs/dbraw/zinc/71/98/06/621719806.db2.gz JPYZGFQUPMSXSX-CYBMUJFWSA-N 0 0 309.406 3.002 20 10 DGCDRN CC[C@@H](C(=O)NCc1cc(C)n(-c2ccccc2)c1C)[C@H](C)O ZINC000863940953 621719879 /nfs/dbraw/zinc/71/98/79/621719879.db2.gz RFODZNXTXFGOQG-MAUKXSAKSA-N 0 0 314.429 3.117 20 10 DGCDRN CC(=O)NCc1ccc(N[C@H](C)c2ccc(F)cc2O)cc1 ZINC000757606146 621727923 /nfs/dbraw/zinc/72/79/23/621727923.db2.gz YQPUKEUIOGVBMW-LLVKDONJSA-N 0 0 302.349 3.341 20 10 DGCDRN CC(=O)NCc1ccc(N[C@@H](C)c2ccc(F)cc2O)cc1 ZINC000757606148 621727987 /nfs/dbraw/zinc/72/79/87/621727987.db2.gz YQPUKEUIOGVBMW-NSHDSACASA-N 0 0 302.349 3.341 20 10 DGCDRN Cc1ccc([C@@H](C)Nc2ccc3c(c2)C(=O)NCC3)c(O)c1C ZINC000757613427 621728401 /nfs/dbraw/zinc/72/84/01/621728401.db2.gz RPFKDZJAJZGCPV-CYBMUJFWSA-N 0 0 310.397 3.468 20 10 DGCDRN C[NH+](C)Cc1ccc(NCc2ccc(F)c(F)c2[O-])cc1F ZINC000864031251 621729272 /nfs/dbraw/zinc/72/92/72/621729272.db2.gz YPBFFPDNSLQRKQ-UHFFFAOYSA-N 0 0 310.319 3.483 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)C[C@H](C)O)c1cc(Br)c(F)cc1[O-] ZINC000757655916 621731071 /nfs/dbraw/zinc/73/10/71/621731071.db2.gz LORGIXKDKYDVAI-XHNCKOQMSA-N 0 0 320.202 3.104 20 10 DGCDRN COc1c(N[C@H](C)c2ccc(C)c(C)c2O)cccc1C(N)=O ZINC000757660011 621732039 /nfs/dbraw/zinc/73/20/39/621732039.db2.gz YFADEACZZQOGSY-GFCCVEGCSA-N 0 0 314.385 3.290 20 10 DGCDRN COc1c(N[C@H](C)c2cc(Cl)ccc2O)cccc1C(N)=O ZINC000757659904 621732097 /nfs/dbraw/zinc/73/20/97/621732097.db2.gz URQXIGFPZIXKKZ-SECBINFHSA-N 0 0 320.776 3.326 20 10 DGCDRN [O-]c1c(C[NH2+]CC2([C@@H]3CCCCO3)CCC2)ccc(F)c1F ZINC000864053291 621732608 /nfs/dbraw/zinc/73/26/08/621732608.db2.gz UCBJHMMPZKNDQO-AWEZNQCLSA-N 0 0 311.372 3.499 20 10 DGCDRN COC(=O)c1ccc(CN(C)c2ccc(OC)c(OC)c2)s1 ZINC000757822843 621741531 /nfs/dbraw/zinc/74/15/31/621741531.db2.gz QHRZSHKAAPOSIT-UHFFFAOYSA-N 0 0 321.398 3.188 20 10 DGCDRN COc1ccc(N(C)CC(=O)NCCC2=CCCCC2)cc1F ZINC000757852324 621742786 /nfs/dbraw/zinc/74/27/86/621742786.db2.gz JZGYPNPRDQHNHD-UHFFFAOYSA-N 0 0 320.408 3.277 20 10 DGCDRN COc1ccc(N(C)CCc2ccc3c(c2)CCO3)cc1F ZINC000757851429 621742992 /nfs/dbraw/zinc/74/29/92/621742992.db2.gz IXTFRXKSCLUMCA-UHFFFAOYSA-N 0 0 301.361 3.448 20 10 DGCDRN COc1cccc(O)c1CN(C)Cc1ncc(C)c(OC)c1C ZINC000757903017 621745798 /nfs/dbraw/zinc/74/57/98/621745798.db2.gz LYDHAWXUFFCVEL-UHFFFAOYSA-N 0 0 316.401 3.053 20 10 DGCDRN CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2C)SC1=S ZINC000757917880 621746858 /nfs/dbraw/zinc/74/68/58/621746858.db2.gz SFRAZAQOIJNBGR-YRNVUSSQSA-N 0 0 308.384 3.124 20 10 DGCDRN CCCCCOC1CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000757974116 621750141 /nfs/dbraw/zinc/75/01/41/621750141.db2.gz YQVJGNWEXFQNIB-UHFFFAOYSA-N 0 0 324.377 3.007 20 10 DGCDRN CCN1C(=O)/C(=C\c2ccc(C(F)F)nc2)SC1=S ZINC000864363235 621760978 /nfs/dbraw/zinc/76/09/78/621760978.db2.gz NUEXPGBMVWBAEP-WEVVVXLNSA-N 0 0 300.355 3.240 20 10 DGCDRN COc1ccc(N(C)CC(=O)Nc2ccc(O)cc2)cc1Cl ZINC000758141412 621761050 /nfs/dbraw/zinc/76/10/50/621761050.db2.gz DRUBAXXJSGGVLK-UHFFFAOYSA-N 0 0 320.776 3.129 20 10 DGCDRN COc1cc(C[N@@H+]2CCO[C@@H](C3CCCCC3)C2)c(O)cc1C ZINC000758291775 621773270 /nfs/dbraw/zinc/77/32/70/621773270.db2.gz QEHXEBGBCXDUOI-LJQANCHMSA-N 0 0 319.445 3.490 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2conc2C2CCCC2)cc1 ZINC000864573704 621786893 /nfs/dbraw/zinc/78/68/93/621786893.db2.gz QAWKORPEKXQSHA-UHFFFAOYSA-N 0 0 313.401 3.328 20 10 DGCDRN Cc1nc(C2CC2)oc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000759096314 621824403 /nfs/dbraw/zinc/82/44/03/621824403.db2.gz UFMZZNUISRHACI-UHFFFAOYSA-N 0 0 313.401 3.165 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cncc(F)c2)cc1 ZINC000759116209 621826285 /nfs/dbraw/zinc/82/62/85/621826285.db2.gz GDYVUBMDEZUZAT-UHFFFAOYSA-N 0 0 315.392 3.339 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCC1(O)CCC1 ZINC000864949412 621836020 /nfs/dbraw/zinc/83/60/20/621836020.db2.gz KUKAEDUMIUKRFZ-UHFFFAOYSA-N 0 0 318.461 3.185 20 10 DGCDRN Cn1cc(/C=C/C(=O)N2CCc3c2cccc3C(F)(F)F)cn1 ZINC000759274844 621842671 /nfs/dbraw/zinc/84/26/71/621842671.db2.gz XWORCDGGEMJIQY-AATRIKPKSA-N 0 0 321.302 3.041 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@]12CCC[C@H]1OCC2 ZINC000865027446 621848227 /nfs/dbraw/zinc/84/82/27/621848227.db2.gz QCMHWGFCUUINSF-MJGOQNOKSA-N 0 0 316.445 3.060 20 10 DGCDRN CCCn1nc(C)c(/C=C2/SC(=S)N(CC)C2=O)c1C ZINC000759653665 621879459 /nfs/dbraw/zinc/87/94/59/621879459.db2.gz QRQKLUYFDGYUPS-XYOKQWHBSA-N 0 0 309.460 3.131 20 10 DGCDRN C[C@H](NC(=S)NCCc1cccs1)c1ccccc1O ZINC000865270693 621886048 /nfs/dbraw/zinc/88/60/48/621886048.db2.gz XODJHZPMPNAAGX-NSHDSACASA-N 0 0 306.456 3.222 20 10 DGCDRN CN(C)c1cc(F)c(CNc2nnc(C3CC3)s2)cc1F ZINC000865290261 621890715 /nfs/dbraw/zinc/89/07/15/621890715.db2.gz SMNNOHJRJTXJRY-UHFFFAOYSA-N 0 0 310.373 3.372 20 10 DGCDRN CN(C)c1cc(F)c(CNc2nnc(C(F)(F)F)o2)cc1F ZINC000865290770 621890993 /nfs/dbraw/zinc/89/09/93/621890993.db2.gz ATBRNSSKPREDOX-UHFFFAOYSA-N 0 0 322.237 3.045 20 10 DGCDRN COc1ccc(N(C)CCNC(=O)OC(C)(C)C)cc1Cl ZINC000759797328 621891436 /nfs/dbraw/zinc/89/14/36/621891436.db2.gz MGXDWTKGOVTGTP-UHFFFAOYSA-N 0 0 314.813 3.310 20 10 DGCDRN Clc1cnc(SC[C@@H]2CC3(CO2)CCOCC3)s1 ZINC000865371670 621903828 /nfs/dbraw/zinc/90/38/28/621903828.db2.gz GWWCQLJJRCMXCF-VIFPVBQESA-N 0 0 305.852 3.474 20 10 DGCDRN CCCc1nc(C(=O)NCc2c(O)ccc3c2CCCC3)co1 ZINC000759964027 621905409 /nfs/dbraw/zinc/90/54/09/621905409.db2.gz XCVRRYUNBMWFSQ-UHFFFAOYSA-N 0 0 314.385 3.142 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2oc(C3CC3)nc2C)c1 ZINC000759959527 621905444 /nfs/dbraw/zinc/90/54/44/621905444.db2.gz UKLCASVBWVJBQX-SECBINFHSA-N 0 0 316.357 3.066 20 10 DGCDRN CN(C)c1ccc(CNc2nccn3nc(C4CC4)cc23)cc1 ZINC000865414590 621915198 /nfs/dbraw/zinc/91/51/98/621915198.db2.gz FOVARTFUOHMNHZ-UHFFFAOYSA-N 0 0 307.401 3.285 20 10 DGCDRN Cc1cc(/C=C2\SC(N3CCCCC3)=NC2=O)cnc1Cl ZINC000760211199 621921592 /nfs/dbraw/zinc/92/15/92/621921592.db2.gz NMXIAUMYWVQUEK-WQLSENKSSA-N 0 0 321.833 3.500 20 10 DGCDRN COc1ccc(CN[C@@H](C)c2cn(-c3ccccc3)nn2)cc1C ZINC000760469953 621942824 /nfs/dbraw/zinc/94/28/24/621942824.db2.gz JJDWBBBBGUCKRB-HNNXBMFYSA-N 0 0 322.412 3.435 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)CC3CSC3)cc2)CC1 ZINC000865603866 621960069 /nfs/dbraw/zinc/96/00/69/621960069.db2.gz NZFKVHDJPWZRDY-UHFFFAOYSA-N 0 0 318.486 3.292 20 10 DGCDRN CC[C@@]1(C)COCCN1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000761110443 621987538 /nfs/dbraw/zinc/98/75/38/621987538.db2.gz OZPAZIOFXGIHRB-INIZCTEOSA-N 0 0 311.809 3.249 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H](C)c2ccnn2C)c1 ZINC000865839431 622005059 /nfs/dbraw/zinc/00/50/59/622005059.db2.gz VZSXZPLKUJUKOT-JTQLQIEISA-N 0 0 324.222 3.047 20 10 DGCDRN CC(C)C[C@H]1C(=O)N([C@@H](C)c2ccc(N(C)C)cc2)C(=O)N1C ZINC000761576025 622018493 /nfs/dbraw/zinc/01/84/93/622018493.db2.gz AAYDJZOMXKAUBS-BBRMVZONSA-N 0 0 317.433 3.122 20 10 DGCDRN COC(C)(C)c1nsc(NCc2cc(Cl)ccc2O)n1 ZINC000865909162 622018577 /nfs/dbraw/zinc/01/85/77/622018577.db2.gz XJCHZOJCSCOURE-UHFFFAOYSA-N 0 0 313.810 3.391 20 10 DGCDRN CCCN1C(=O)N([C@@H](C)c2ccc(N(C)C)cc2)C(=O)[C@@H]1CC ZINC000761577304 622019008 /nfs/dbraw/zinc/01/90/08/622019008.db2.gz GBIMFAPVUSMQFR-BBRMVZONSA-N 0 0 317.433 3.266 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C1Cc2ccccc2C1 ZINC000761922662 622038916 /nfs/dbraw/zinc/03/89/16/622038916.db2.gz KMDHVLRKSIFRSG-UHFFFAOYSA-N 0 0 308.425 3.092 20 10 DGCDRN O=C([C@@H]1CCSC1)N(Cc1ccco1)Cc1ccccc1O ZINC000762540788 622082664 /nfs/dbraw/zinc/08/26/64/622082664.db2.gz TXSSKJSLUOIGOG-CQSZACIVSA-N 0 0 317.410 3.267 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC1Cc2ccccc2C1 ZINC000762585102 622084526 /nfs/dbraw/zinc/08/45/26/622084526.db2.gz UFEIXADISZZTKK-UHFFFAOYSA-N 0 0 323.440 3.028 20 10 DGCDRN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)Cc2ccc(O)c(O)c2)n1 ZINC000762800213 622099464 /nfs/dbraw/zinc/09/94/64/622099464.db2.gz NOUOWMDMMJSUNN-NSHDSACASA-N 0 0 317.345 3.061 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC(=O)c2ccccc21 ZINC000789646668 625542429 /nfs/dbraw/zinc/54/24/29/625542429.db2.gz NGOSSZZFHGBELW-GOSISDBHSA-N 0 0 322.408 3.047 20 10 DGCDRN O=C(C=C1CCCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000762805555 622100139 /nfs/dbraw/zinc/10/01/39/622100139.db2.gz LMDQCDTZZQJRNR-KRWDZBQOSA-N 0 0 315.413 3.400 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C)c2cnc(C)s2)c1 ZINC000866454860 622121292 /nfs/dbraw/zinc/12/12/92/622121292.db2.gz HKQYJBIYJXJUQC-NXEZZACHSA-N 0 0 320.414 3.356 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)c2cnc(C)s2)c1 ZINC000866454863 622121565 /nfs/dbraw/zinc/12/15/65/622121565.db2.gz HKQYJBIYJXJUQC-UWVGGRQHSA-N 0 0 320.414 3.356 20 10 DGCDRN C[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCOC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866513022 622130481 /nfs/dbraw/zinc/13/04/81/622130481.db2.gz RHGPUTCRVCPLKH-PLQHRBFRSA-N 0 0 320.389 3.156 20 10 DGCDRN Cc1cc(CCNC(=O)c2ccn(C)c2)c(C)n1-c1ccccc1 ZINC000763211379 622130559 /nfs/dbraw/zinc/13/05/59/622130559.db2.gz KBRKIDUNXSQGPX-UHFFFAOYSA-N 0 0 321.424 3.405 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866538439 622134665 /nfs/dbraw/zinc/13/46/65/622134665.db2.gz SDBVOLSDGDFFEI-FFSVYQOJSA-N 0 0 320.389 3.014 20 10 DGCDRN CCC[C@@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C ZINC000763307047 622136797 /nfs/dbraw/zinc/13/67/97/622136797.db2.gz XQPYBHMNSOXIBN-GOSISDBHSA-N 0 0 318.461 3.416 20 10 DGCDRN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)cc(C)c1F ZINC000763422669 622144715 /nfs/dbraw/zinc/14/47/15/622144715.db2.gz UEGJCQBOUIWTHM-UHFFFAOYSA-N 0 0 300.377 3.439 20 10 DGCDRN CCOc1cccc(CN[C@H](CC)C(=O)OC(C)(C)C)c1O ZINC000763500418 622148728 /nfs/dbraw/zinc/14/87/28/622148728.db2.gz ICUALGVPGQDUGU-CYBMUJFWSA-N 0 0 309.406 3.001 20 10 DGCDRN CO[C@@]1(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])CCOC1 ZINC000763575587 622153076 /nfs/dbraw/zinc/15/30/76/622153076.db2.gz YJFVLWSWOQXUAN-LKFCYVNXSA-N 0 0 320.216 3.155 20 10 DGCDRN C[C@H](CCc1ccc(F)cc1)C(=O)NCc1ccc(O)c(O)c1 ZINC000866770613 622163026 /nfs/dbraw/zinc/16/30/26/622163026.db2.gz ZVBBGIQGHOAHBY-GFCCVEGCSA-N 0 0 317.360 3.122 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)[C@H]2CCCCO2)c1 ZINC000866765273 622163067 /nfs/dbraw/zinc/16/30/67/622163067.db2.gz STCNRAMBXHQKKA-BLLLJJGKSA-N 0 0 321.417 3.173 20 10 DGCDRN CC[C@H](O)CCNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000763833171 622164304 /nfs/dbraw/zinc/16/43/04/622164304.db2.gz MULLFWDNWRYICH-KRWDZBQOSA-N 0 0 314.429 3.293 20 10 DGCDRN CC[C@H](O)CCNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000763841059 622164812 /nfs/dbraw/zinc/16/48/12/622164812.db2.gz OIZCQTSOTMSREU-INIZCTEOSA-N 0 0 314.429 3.293 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCC(=O)[C@@H](C)C2)cc1 ZINC000763926534 622169365 /nfs/dbraw/zinc/16/93/65/622169365.db2.gz SOFHBDLLOCNCTP-HOCLYGCPSA-N 0 0 316.445 3.154 20 10 DGCDRN CCOC1CC2(C[C@H]2C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000867505462 622169605 /nfs/dbraw/zinc/16/96/05/622169605.db2.gz VJTQPQJJYQGHJT-FVYVLVSMSA-N 0 0 316.445 3.135 20 10 DGCDRN C[C@@H](NC(=O)c1[nH]cnc1C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000867504688 622169663 /nfs/dbraw/zinc/16/96/63/622169663.db2.gz YJYXZRMRMRTPKN-GFCCVEGCSA-N 0 0 314.433 3.264 20 10 DGCDRN COC(=O)c1ccc(CN(C)c2ccc(OC)c(F)c2)s1 ZINC000121717860 622174728 /nfs/dbraw/zinc/17/47/28/622174728.db2.gz NNZFEWFUQVSUDX-UHFFFAOYSA-N 0 0 309.362 3.319 20 10 DGCDRN CCN1C(=O)/C(=C\c2cccc(-n3cccn3)c2)SC1=S ZINC000206761513 622175160 /nfs/dbraw/zinc/17/51/60/622175160.db2.gz FROLSWZWHSBCKZ-JLHYYAGUSA-N 0 0 315.423 3.093 20 10 DGCDRN COc1ccc(N(C)CC[S@](=O)c2ccccc2)cc1F ZINC000121744314 622176957 /nfs/dbraw/zinc/17/69/57/622176957.db2.gz UNNUQUWGWIKAIW-OAQYLSRUSA-N 0 0 307.390 3.078 20 10 DGCDRN O=C(NCc1cccc(Br)c1O)[C@@]12C[C@@H]1CCCC2 ZINC000867830997 622186986 /nfs/dbraw/zinc/18/69/86/622186986.db2.gz MTWMZDCCLAYZKH-NHYWBVRUSA-N 0 0 324.218 3.351 20 10 DGCDRN COc1ccc(N(C)CC(=O)N2CCCC[C@@H]2C)cc1Cl ZINC000121862391 622187050 /nfs/dbraw/zinc/18/70/50/622187050.db2.gz BAFPHPGEFPKXSC-LBPRGKRZSA-N 0 0 310.825 3.186 20 10 DGCDRN CCc1ccc(CS(=O)(=O)N[C@H](C)c2ccccc2O)cc1 ZINC000867834479 622187198 /nfs/dbraw/zinc/18/71/98/622187198.db2.gz JEQKIHHBDMXFML-CYBMUJFWSA-N 0 0 319.426 3.135 20 10 DGCDRN O=C(NCCCSc1nccs1)N[C@@H]1CCC(F)(F)C1 ZINC000764362470 622190056 /nfs/dbraw/zinc/19/00/56/622190056.db2.gz ZJJIVRZZFZVYNG-SECBINFHSA-N 0 0 321.418 3.112 20 10 DGCDRN COc1ccc(N(C)CC(=O)N(C)c2ccccc2)cc1Cl ZINC000121973798 622206377 /nfs/dbraw/zinc/20/63/77/622206377.db2.gz BOAZGEXFQSVENS-UHFFFAOYSA-N 0 0 318.804 3.448 20 10 DGCDRN COCc1ccccc1CNC(=O)N[C@H](C)c1ccccc1O ZINC000868029908 622206645 /nfs/dbraw/zinc/20/66/45/622206645.db2.gz DYAPXYSBKYCBBU-CYBMUJFWSA-N 0 0 314.385 3.099 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ncsc1C(F)(F)F ZINC000764606948 622206805 /nfs/dbraw/zinc/20/68/05/622206805.db2.gz CBUOQKHRUPWPAN-UHFFFAOYSA-N 0 0 316.304 3.140 20 10 DGCDRN C[C@@H](NC(=O)N[C@H]1CCCc2occc21)c1ccccc1O ZINC000868033825 622207491 /nfs/dbraw/zinc/20/74/91/622207491.db2.gz OEIQGUPJIGODFK-RISCZKNCSA-N 0 0 300.358 3.423 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ncccc1OC ZINC000868109778 622215239 /nfs/dbraw/zinc/21/52/39/622215239.db2.gz JTDPZTVBYULNNP-UHFFFAOYSA-N 0 0 314.385 3.238 20 10 DGCDRN C[C@@H](NC(=O)N[C@H]1C[C@H]1c1cccc(F)c1)c1ccccc1O ZINC000868165221 622221203 /nfs/dbraw/zinc/22/12/03/622221203.db2.gz ZYEJTECMRHLWQG-RLCCDNCMSA-N 0 0 314.360 3.448 20 10 DGCDRN CCc1nc(CCNC(=O)N[C@H](C)c2ccccc2O)cs1 ZINC000868196429 622223944 /nfs/dbraw/zinc/22/39/44/622223944.db2.gz JOZRQGDMFDKVKH-LLVKDONJSA-N 0 0 319.430 3.014 20 10 DGCDRN CCc1nc(CCNC(=O)N[C@@H](C)c2ccccc2O)cs1 ZINC000868196430 622224154 /nfs/dbraw/zinc/22/41/54/622224154.db2.gz JOZRQGDMFDKVKH-NSHDSACASA-N 0 0 319.430 3.014 20 10 DGCDRN Cc1csc([C@H](C)NC(=O)N[C@@H](C)c2ccccc2O)n1 ZINC000868205350 622225621 /nfs/dbraw/zinc/22/56/21/622225621.db2.gz YSWQFBPIBOBTHU-QWRGUYRKSA-N 0 0 305.403 3.279 20 10 DGCDRN CC(C)n1cc([C@H](C)NC(=O)N[C@@H](C)c2ccccc2O)cn1 ZINC000868244020 622228001 /nfs/dbraw/zinc/22/80/01/622228001.db2.gz QJFVMNZDFQICFU-STQMWFEESA-N 0 0 316.405 3.291 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1C[C@]1(C)c1ccccc1)c1ccccc1O ZINC000868308889 622233019 /nfs/dbraw/zinc/23/30/19/622233019.db2.gz CTNBHDVQZNFSLK-BOFPYLFWSA-N 0 0 310.397 3.483 20 10 DGCDRN C[C@@H](NC(=O)N[C@H]1C[C@H]1Cc1ccccc1)c1ccccc1O ZINC000868309321 622233074 /nfs/dbraw/zinc/23/30/74/622233074.db2.gz UBJPAHOYOYCGHS-UNEWFSDZSA-N 0 0 310.397 3.384 20 10 DGCDRN Cc1cnc([C@H](C)NC(=O)N[C@H](C)c2ccccc2O)s1 ZINC000868343318 622236598 /nfs/dbraw/zinc/23/65/98/622236598.db2.gz OWSHNRQQKUMBOS-MNOVXSKESA-N 0 0 305.403 3.279 20 10 DGCDRN C[C@@H](NC(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1ccccc1O ZINC000868423343 622242836 /nfs/dbraw/zinc/24/28/36/622242836.db2.gz ZHIMRDAQXKACAE-MYFFOXHASA-N 0 0 322.408 3.338 20 10 DGCDRN COC[C@H](NC(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 ZINC000868470046 622246590 /nfs/dbraw/zinc/24/65/90/622246590.db2.gz PVAVBFGIDANZDT-BBRMVZONSA-N 0 0 314.385 3.140 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1CCCC12CC2)c1ccc(N(C)C)cc1 ZINC000868515125 622252612 /nfs/dbraw/zinc/25/26/12/622252612.db2.gz IZVYEHSJBUDISM-XJKSGUPXSA-N 0 0 301.434 3.446 20 10 DGCDRN Cc1ccc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000868515298 622252850 /nfs/dbraw/zinc/25/28/50/622252850.db2.gz KJDOUIJMJATLKF-CYBMUJFWSA-N 0 0 301.390 3.214 20 10 DGCDRN C[C@@H](NC(=O)NCC[C@@H]1CCCS1)c1ccc(N(C)C)cc1 ZINC000868515654 622252886 /nfs/dbraw/zinc/25/28/86/622252886.db2.gz OSRKBKIVFLIXRH-CJNGLKHVSA-N 0 0 321.490 3.399 20 10 DGCDRN [O-]c1c(Br)cccc1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000765283003 622256550 /nfs/dbraw/zinc/25/65/50/622256550.db2.gz YEEQQFNCCGKONQ-LBPRGKRZSA-N 0 0 322.206 3.045 20 10 DGCDRN C[C@H](NC(=O)N[C@@H](C)c1c(F)cncc1F)c1ccccc1O ZINC000868605474 622263254 /nfs/dbraw/zinc/26/32/54/622263254.db2.gz DUEQUWQSGPLIDF-UWVGGRQHSA-N 0 0 321.327 3.187 20 10 DGCDRN CCc1cnccc1C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000765482178 622267545 /nfs/dbraw/zinc/26/75/45/622267545.db2.gz CEPXACAZXFZBIG-UHFFFAOYSA-N 0 0 311.429 3.372 20 10 DGCDRN C[C@@H](NC(=O)NC[C@@H]1CCOC2(CCC2)C1)c1ccccc1O ZINC000868668712 622270961 /nfs/dbraw/zinc/27/09/61/622270961.db2.gz PLPXNCNXFSVYHK-ZIAGYGMSSA-N 0 0 318.417 3.102 20 10 DGCDRN C[C@H](NC(=O)NCC(C)(C)c1cccnc1)c1ccccc1O ZINC000868710332 622276162 /nfs/dbraw/zinc/27/61/62/622276162.db2.gz KKGOHJKJPNQBNI-ZDUSSCGKSA-N 0 0 313.401 3.125 20 10 DGCDRN CCOc1ccc(O)c(CN2CCOc3ccc(OC)cc32)c1 ZINC000765649885 622279942 /nfs/dbraw/zinc/27/99/42/622279942.db2.gz BURBMPMPLZSCKU-UHFFFAOYSA-N 0 0 315.369 3.199 20 10 DGCDRN C[C@H](NC(=O)NC[C@@H]1CCC2(CCCC2)O1)c1ccccc1O ZINC000868755717 622281602 /nfs/dbraw/zinc/28/16/02/622281602.db2.gz KNDQIEXKYNTFSU-KBPBESRZSA-N 0 0 318.417 3.244 20 10 DGCDRN CCC(O)(CC)C(C)(C)CNC(=O)N[C@H](C)c1ccccc1O ZINC000868765003 622282360 /nfs/dbraw/zinc/28/23/60/622282360.db2.gz HILHVXBOVSSSGT-CYBMUJFWSA-N 0 0 322.449 3.330 20 10 DGCDRN C[C@H](CC(=O)NCc1cccc(Br)c1O)C1CC1 ZINC000765733233 622284761 /nfs/dbraw/zinc/28/47/61/622284761.db2.gz VSLJQNXAVWEQNR-SECBINFHSA-N 0 0 312.207 3.207 20 10 DGCDRN C[C@@H](C(=O)NCc1cccc(Br)c1O)C(C)(C)C ZINC000765750723 622285368 /nfs/dbraw/zinc/28/53/68/622285368.db2.gz KVEAHBRDASVOEZ-VIFPVBQESA-N 0 0 314.223 3.453 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@H]2CCCC23CC3)cc1F ZINC000868845424 622292123 /nfs/dbraw/zinc/29/21/23/622292123.db2.gz VOOYGCCQNNYYJA-HNNXBMFYSA-N 0 0 305.397 3.024 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCCC23CC3)cc1 ZINC000868843293 622292304 /nfs/dbraw/zinc/29/23/04/622292304.db2.gz BKNKZEAQTSKYSW-INIZCTEOSA-N 0 0 301.434 3.227 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCCOCC1CCC1 ZINC000765890856 622293218 /nfs/dbraw/zinc/29/32/18/622293218.db2.gz GCUWCFWBDXYARO-UHFFFAOYSA-N 0 0 320.433 3.131 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1ccn(C)n1 ZINC000765913866 622293555 /nfs/dbraw/zinc/29/35/55/622293555.db2.gz GUIBNJGDSMZXLO-UHFFFAOYSA-N 0 0 322.412 3.066 20 10 DGCDRN Cc1cc(C(=O)NCc2ccn(C)n2)c(C)n1-c1ccccc1C ZINC000765914820 622293558 /nfs/dbraw/zinc/29/35/58/622293558.db2.gz RCYRRLZZZPQKDK-UHFFFAOYSA-N 0 0 322.412 3.066 20 10 DGCDRN COc1ccc(CNC(=O)NCc2csc(C)c2C)c(O)c1 ZINC000868866858 622294341 /nfs/dbraw/zinc/29/43/41/622294341.db2.gz XUCROHCPXOBRSE-UHFFFAOYSA-N 0 0 320.414 3.079 20 10 DGCDRN CC(C)(C)c1cnc(SCc2nnnn2C(C)(C)C)s1 ZINC000766043155 622302233 /nfs/dbraw/zinc/30/22/33/622302233.db2.gz ASURRTPPIPRRBG-UHFFFAOYSA-N 0 0 311.480 3.474 20 10 DGCDRN COc1ccc(N(C)Cc2cccc3nsnc32)cc1F ZINC000766089642 622305020 /nfs/dbraw/zinc/30/50/20/622305020.db2.gz DLBRTZXPEYNBFQ-UHFFFAOYSA-N 0 0 303.362 3.475 20 10 DGCDRN CNC(=O)c1ccc(CN2CCCCc3cc(OC)ccc32)cc1 ZINC000766268898 622316191 /nfs/dbraw/zinc/31/61/91/622316191.db2.gz GXNGWVYKIQQEEC-UHFFFAOYSA-N 0 0 324.424 3.398 20 10 DGCDRN COc1ccc2c(c1)CCCCN2CC(=O)N1CCCC[C@H]1C ZINC000766270865 622316297 /nfs/dbraw/zinc/31/62/97/622316297.db2.gz VNIAGPONSKWESX-OAHLLOKOSA-N 0 0 316.445 3.239 20 10 DGCDRN C[C@H](NC(=O)NCC(C)(C)C(C)(F)F)c1ccccc1O ZINC000869071742 622316598 /nfs/dbraw/zinc/31/65/98/622316598.db2.gz NZMSCFXPUATECM-JTQLQIEISA-N 0 0 300.349 3.434 20 10 DGCDRN Cc1ccc(F)c(C(=O)NCc2ccc(N(C)C)cc2)c1F ZINC000766313512 622321115 /nfs/dbraw/zinc/32/11/15/622321115.db2.gz SRMYPMUPLLVYJE-UHFFFAOYSA-N 0 0 304.340 3.269 20 10 DGCDRN Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)ns1 ZINC000766391697 622326184 /nfs/dbraw/zinc/32/61/84/622326184.db2.gz BVHQVALIDPETGH-UHFFFAOYSA-N 0 0 315.442 3.322 20 10 DGCDRN COc1ccc(CNC(=S)Nc2ccc(Cl)cc2)nc1 ZINC000766512568 622335231 /nfs/dbraw/zinc/33/52/31/622335231.db2.gz MXDWDZSCNQKOAN-UHFFFAOYSA-N 0 0 307.806 3.230 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)CC(F)(F)F ZINC000766656905 622344730 /nfs/dbraw/zinc/34/47/30/622344730.db2.gz HFXFFHLXUYSXPF-LLVKDONJSA-N 0 0 317.355 3.201 20 10 DGCDRN COc1ccc(N(C)Cc2ccc(-c3cc[nH]n3)o2)cc1OC ZINC000789749690 625560780 /nfs/dbraw/zinc/56/07/80/625560780.db2.gz SLYBJTZVYWZZPJ-UHFFFAOYSA-N 0 0 313.357 3.323 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1ccc(-c2cc[nH]n2)o1 ZINC000789749704 625560948 /nfs/dbraw/zinc/56/09/48/625560948.db2.gz UEMYQLLXQYQBIK-UHFFFAOYSA-N 0 0 324.384 3.135 20 10 DGCDRN CC(C)(C)c1cnc(SCC2(CS(C)(=O)=O)CC2)s1 ZINC000767208766 622383509 /nfs/dbraw/zinc/38/35/09/622383509.db2.gz GOPWMAOHTZHVMV-UHFFFAOYSA-N 0 0 319.517 3.358 20 10 DGCDRN COc1ccc(CN(C)Cc2cc(F)cc(C(C)=O)c2O)cc1 ZINC000122709442 622389200 /nfs/dbraw/zinc/38/92/00/622389200.db2.gz FFXVDCNHARXUMP-UHFFFAOYSA-N 0 0 317.360 3.375 20 10 DGCDRN COc1c(O)c(CNc2ccc(Cl)nc2C)ccc1[N+](=O)[O-] ZINC000789776458 625564651 /nfs/dbraw/zinc/56/46/51/625564651.db2.gz FQSLZUATVDTWAQ-UHFFFAOYSA-N 0 0 323.736 3.278 20 10 DGCDRN CC[C@@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000122840197 622415692 /nfs/dbraw/zinc/41/56/92/622415692.db2.gz RSBAVBBDWMEUEB-CQSZACIVSA-N 0 0 301.434 3.011 20 10 DGCDRN CCC(CC)C(=O)N1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000768334136 622450471 /nfs/dbraw/zinc/45/04/71/622450471.db2.gz MCLPNFGMUGYHLI-UHFFFAOYSA-N 0 0 324.852 3.126 20 10 DGCDRN COc1cc(CN2CCC[C@@H]2c2cc(C)on2)c(O)cc1C ZINC000768441371 622456308 /nfs/dbraw/zinc/45/63/08/622456308.db2.gz KFLXVAGMHVFHRO-OAHLLOKOSA-N 0 0 302.374 3.343 20 10 DGCDRN COc1cc(CN2CCc3c2cccc3[N+](=O)[O-])c(O)cc1C ZINC000768465907 622457901 /nfs/dbraw/zinc/45/79/01/622457901.db2.gz SFLZDJJCJJNIKO-UHFFFAOYSA-N 0 0 314.341 3.180 20 10 DGCDRN C[C@@H]1Cc2ccccc2N(Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768463287 622457957 /nfs/dbraw/zinc/45/79/57/622457957.db2.gz QZQPLHXKPVMWBL-KZULUSFZSA-N 0 0 311.381 3.017 20 10 DGCDRN COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000123231252 622488522 /nfs/dbraw/zinc/48/85/22/622488522.db2.gz GGAUTPSFKWCKEC-SECBINFHSA-N 0 0 318.200 3.084 20 10 DGCDRN CC(C)(F)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000769250251 622510900 /nfs/dbraw/zinc/51/09/00/622510900.db2.gz SZLODFFNZUIMEW-UHFFFAOYSA-N 0 0 311.312 3.149 20 10 DGCDRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCc1ccccc1O ZINC000769362827 622520525 /nfs/dbraw/zinc/52/05/25/622520525.db2.gz KNBMYMKUYVNVDZ-KYJSFNMBSA-N 0 0 319.445 3.486 20 10 DGCDRN CCOc1ccc(C[N@H+](C)CCN(C)c2ccccc2)c(O)c1 ZINC000769381665 622522881 /nfs/dbraw/zinc/52/28/81/622522881.db2.gz QZCBUKQESCUDFN-UHFFFAOYSA-N 0 0 314.429 3.359 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CC[NH+](C2CCC2)CC1 ZINC000769410398 622525598 /nfs/dbraw/zinc/52/55/98/622525598.db2.gz CBSPQAMGYNBSKC-UHFFFAOYSA-N 0 0 315.244 3.369 20 10 DGCDRN COC(=O)[C@H](c1ccccc1)N(C)Cc1cc(C)c(C)cc1O ZINC000769421419 622526370 /nfs/dbraw/zinc/52/63/70/622526370.db2.gz BQHFGKSXIJHKTA-SFHVURJKSA-N 0 0 313.397 3.355 20 10 DGCDRN CCOc1ccc(CN2CCOC[C@@H]2c2ccc(C)o2)c(O)c1 ZINC000769447242 622528669 /nfs/dbraw/zinc/52/86/69/622528669.db2.gz XFNAXWQGOQXKBH-MRXNPFEDSA-N 0 0 317.385 3.266 20 10 DGCDRN COc1ccccc1-c1nnc(NCc2cc(C)ccc2O)o1 ZINC000789878940 625574223 /nfs/dbraw/zinc/57/42/23/625574223.db2.gz QFGVXTQEYZUSMF-UHFFFAOYSA-N 0 0 311.341 3.371 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](F)c2ccccc2)c1 ZINC000769608294 622544158 /nfs/dbraw/zinc/54/41/58/622544158.db2.gz UVCBMOJVTPYJBQ-ZBEGNZNMSA-N 0 0 303.333 3.289 20 10 DGCDRN CN(c1ccc(CNC(=O)CC2COC2)cc1)C1CCCCC1 ZINC000769693936 622550463 /nfs/dbraw/zinc/55/04/63/622550463.db2.gz TYVFALVGJWHZGI-UHFFFAOYSA-N 0 0 316.445 3.108 20 10 DGCDRN COc1ccc2c(c1)CCCCN2CCO[C@H]1CCCCO1 ZINC000769767369 622558655 /nfs/dbraw/zinc/55/86/55/622558655.db2.gz UNZGIGJWEIPNFO-SFHVURJKSA-N 0 0 305.418 3.381 20 10 DGCDRN CC(C)C(=O)Nc1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871198962 622565489 /nfs/dbraw/zinc/56/54/89/622565489.db2.gz PZHBDVULCIXIAC-UHFFFAOYSA-N 0 0 324.380 3.143 20 10 DGCDRN CC(C)OCc1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871198494 622565631 /nfs/dbraw/zinc/56/56/31/622565631.db2.gz JXMIYYVPBCDIFA-UHFFFAOYSA-N 0 0 311.381 3.473 20 10 DGCDRN Cc1nn(C(C)(C)C)c(C)c1C(=O)N1Cc2cccc(O)c2C1 ZINC000871201670 622566494 /nfs/dbraw/zinc/56/64/94/622566494.db2.gz YHDIMFGPNSZHGN-UHFFFAOYSA-N 0 0 313.401 3.117 20 10 DGCDRN CCc1c(C(=O)N2Cc3cccc(O)c3C2)cnn1C(C)(C)C ZINC000871200854 622566625 /nfs/dbraw/zinc/56/66/25/622566625.db2.gz KPJHGPQJZKMZLU-UHFFFAOYSA-N 0 0 313.401 3.062 20 10 DGCDRN O=C(Cc1ccc2c(c1)CCCC2)N1Cc2cccc(O)c2C1 ZINC000871200161 622566630 /nfs/dbraw/zinc/56/66/30/622566630.db2.gz ZGQBGYZUOKZQPI-UHFFFAOYSA-N 0 0 307.393 3.356 20 10 DGCDRN Cc1ccc(C(=O)CCC(=O)N2Cc3cccc(O)c3C2)s1 ZINC000871199938 622566639 /nfs/dbraw/zinc/56/66/39/622566639.db2.gz WHQCQSQZDZQBSH-UHFFFAOYSA-N 0 0 315.394 3.267 20 10 DGCDRN CC(C)(C)Oc1ccc(C(=O)N2Cc3cccc(O)c3C2)nc1 ZINC000871204995 622567999 /nfs/dbraw/zinc/56/79/99/622567999.db2.gz OBMCQXMFQQPDSD-UHFFFAOYSA-N 0 0 312.369 3.121 20 10 DGCDRN CCC(CC)n1nc(C(=O)N2Cc3cccc(O)c3C2)cc1C ZINC000871205092 622568028 /nfs/dbraw/zinc/56/80/28/622568028.db2.gz WAZJARXVKLDLLW-UHFFFAOYSA-N 0 0 313.401 3.414 20 10 DGCDRN CC(C)O[C@@H](C(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000871205754 622568142 /nfs/dbraw/zinc/56/81/42/622568142.db2.gz XSTGCGPRALKQOW-GOSISDBHSA-N 0 0 311.381 3.401 20 10 DGCDRN C[C@H](CC(=O)N1Cc2cccc(O)c2C1)N1CCc2ccccc21 ZINC000871205594 622568152 /nfs/dbraw/zinc/56/81/52/622568152.db2.gz HUOVJPKJSABNLQ-CQSZACIVSA-N 0 0 322.408 3.076 20 10 DGCDRN CCN(CC)c1ccc(CNc2cccc(C(=O)OC)n2)cc1 ZINC000769858679 622568379 /nfs/dbraw/zinc/56/83/79/622568379.db2.gz ROHXVDZSQZHAGG-UHFFFAOYSA-N 0 0 313.401 3.327 20 10 DGCDRN CC[C@@H](NC(=O)C1=CC(=O)CS1)c1cccc(OC)c1OC ZINC000871278547 622586832 /nfs/dbraw/zinc/58/68/32/622586832.db2.gz PSDUHGDPCMEMQK-GFCCVEGCSA-N 0 0 321.398 3.352 20 10 DGCDRN CC[C@H](NC(=O)C1=CC(=O)CS1)c1cccc(OC)c1OC ZINC000871278549 622587012 /nfs/dbraw/zinc/58/70/12/622587012.db2.gz PSDUHGDPCMEMQK-LBPRGKRZSA-N 0 0 321.398 3.352 20 10 DGCDRN O=C(NCCCSc1nccs1)NC1CCC=CCC1 ZINC000888565652 622598959 /nfs/dbraw/zinc/59/89/59/622598959.db2.gz QFKOMPFULORWEP-UHFFFAOYSA-N 0 0 311.476 3.423 20 10 DGCDRN CCc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1C ZINC000770112541 622602720 /nfs/dbraw/zinc/60/27/20/622602720.db2.gz XKLBXRONSLGPIV-UHFFFAOYSA-N 0 0 314.385 3.333 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cncc(F)c2)cc1F ZINC000129295580 625580416 /nfs/dbraw/zinc/58/04/16/625580416.db2.gz ZHIZFZPSLWRODG-UHFFFAOYSA-N 0 0 319.355 3.136 20 10 DGCDRN O=C(/C=C\c1cccnc1)N1CCCc2ccc(F)c(F)c21 ZINC000770382373 622627746 /nfs/dbraw/zinc/62/77/46/622627746.db2.gz FCIRLOFFKITYAF-YVMONPNESA-N 0 0 300.308 3.352 20 10 DGCDRN CCOc1ccc(CNc2ccccc2OCCOC)c(O)c1 ZINC000770420867 622632621 /nfs/dbraw/zinc/63/26/21/622632621.db2.gz ORSWHWDBCLWGGM-UHFFFAOYSA-N 0 0 317.385 3.428 20 10 DGCDRN CN1CCCc2cc(CNC(=O)C(C)(C)c3cccnc3)ccc21 ZINC000770481630 622638286 /nfs/dbraw/zinc/63/82/86/622638286.db2.gz QTDNUQOEKRRARA-UHFFFAOYSA-N 0 0 323.440 3.058 20 10 DGCDRN Cc1cnc([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000770614074 622652480 /nfs/dbraw/zinc/65/24/80/622652480.db2.gz CQQDUFFUKMEVPE-CABCVRRESA-N 0 0 315.417 3.231 20 10 DGCDRN Cc1nc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)sc1C ZINC000770721685 622664003 /nfs/dbraw/zinc/66/40/03/622664003.db2.gz NACVZPKDYFTZLD-LLVKDONJSA-N 0 0 303.431 3.317 20 10 DGCDRN Cc1nc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)sc1C ZINC000770721687 622664063 /nfs/dbraw/zinc/66/40/63/622664063.db2.gz NACVZPKDYFTZLD-NSHDSACASA-N 0 0 303.431 3.317 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCCC(F)(F)F)c1 ZINC000770792333 622670816 /nfs/dbraw/zinc/67/08/16/622670816.db2.gz PEQSWFWOSCIOMI-SECBINFHSA-N 0 0 305.296 3.311 20 10 DGCDRN COc1ccc(N2CCC(Nc3cc(C4CC4)ncn3)CC2)cc1 ZINC000881906156 625586449 /nfs/dbraw/zinc/58/64/49/625586449.db2.gz GSAOOXKYGMVOPJ-UHFFFAOYSA-N 0 0 324.428 3.444 20 10 DGCDRN C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)C1=CC(=O)CS1 ZINC000771033246 622706958 /nfs/dbraw/zinc/70/69/58/622706958.db2.gz OBIPSHVVURPHKM-QMMMGPOBSA-N 0 0 309.337 3.491 20 10 DGCDRN C[C@H]1CCN(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC000888589350 622734003 /nfs/dbraw/zinc/73/40/03/622734003.db2.gz ITNVYOTVHZLEQC-ZDUSSCGKSA-N 0 0 321.384 3.270 20 10 DGCDRN COc1ccc(N2CCCN([C@H](C)c3ncc(C)o3)CC2)cc1 ZINC000771441789 622759598 /nfs/dbraw/zinc/75/95/98/622759598.db2.gz FSAHBPQTDSQBCR-OAHLLOKOSA-N 0 0 315.417 3.265 20 10 DGCDRN Cc1cnc([C@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000771445569 622760793 /nfs/dbraw/zinc/76/07/93/622760793.db2.gz WVZRXSISIJVBIX-HNNXBMFYSA-N 0 0 315.417 3.013 20 10 DGCDRN CCN(CC)c1ccc(CNc2cc(OC)ncn2)cc1F ZINC000772047037 622840733 /nfs/dbraw/zinc/84/07/33/622840733.db2.gz IRVLZZBHNZNOOS-UHFFFAOYSA-N 0 0 304.369 3.083 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CCCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000772210528 622867360 /nfs/dbraw/zinc/86/73/60/622867360.db2.gz CEXKHQAVAIKHMP-FNOHHLHBSA-N 0 0 318.373 3.407 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCC[C@@H](C)O ZINC000790084237 625601485 /nfs/dbraw/zinc/60/14/85/625601485.db2.gz PZRKNIUVFMDBRN-MRXNPFEDSA-N 0 0 314.429 3.293 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)Nc1cc(Cl)n[nH]c1=O ZINC000872572945 622937145 /nfs/dbraw/zinc/93/71/45/622937145.db2.gz QTTCFHDFQFZPRG-NSHDSACASA-N 0 0 320.824 3.253 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CCCCCO ZINC000790142098 625608173 /nfs/dbraw/zinc/60/81/73/625608173.db2.gz BGWSMDWDAXZOIG-UHFFFAOYSA-N 0 0 320.458 3.390 20 10 DGCDRN COc1cccc(F)c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000772997641 622962939 /nfs/dbraw/zinc/96/29/39/622962939.db2.gz VANRWJLKEGWFQY-LBPRGKRZSA-N 0 0 316.376 3.391 20 10 DGCDRN CC(C)n1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000772997290 622963297 /nfs/dbraw/zinc/96/32/97/622963297.db2.gz FXWCYTKUWYQXFZ-CYBMUJFWSA-N 0 0 300.406 3.021 20 10 DGCDRN CC(C)c1nn(C)cc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773005629 622964784 /nfs/dbraw/zinc/96/47/84/622964784.db2.gz CFOURZFNLFWNOU-CYBMUJFWSA-N 0 0 314.433 3.101 20 10 DGCDRN COCc1ccsc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773007380 622965165 /nfs/dbraw/zinc/96/51/65/622965165.db2.gz HZJHRXVZTDRRHO-GFCCVEGCSA-N 0 0 318.442 3.452 20 10 DGCDRN COc1cccc(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773013559 622967083 /nfs/dbraw/zinc/96/70/83/622967083.db2.gz GWZDSPCHPPLDMY-CQSZACIVSA-N 0 0 312.413 3.181 20 10 DGCDRN C[C@H](NC(=O)c1cc(-c2ccco2)n[nH]1)c1ccc(N(C)C)cc1 ZINC000773017583 622967964 /nfs/dbraw/zinc/96/79/64/622967964.db2.gz HHGMGAIWDMXQOU-LBPRGKRZSA-N 0 0 324.384 3.227 20 10 DGCDRN C[C@H](NC(=O)[C@H](C)Oc1ccccc1)c1ccc(N(C)C)cc1 ZINC000773018279 622968754 /nfs/dbraw/zinc/96/87/54/622968754.db2.gz YNFRZKFKDKKTFU-GJZGRUSLSA-N 0 0 312.413 3.397 20 10 DGCDRN Cc1nc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c2ccccn12 ZINC000773018540 622969404 /nfs/dbraw/zinc/96/94/04/622969404.db2.gz VXQZZPBTLTXBLF-ZDUSSCGKSA-N 0 0 322.412 3.200 20 10 DGCDRN C[C@H](NC(=O)Cc1c(F)cccc1F)c1ccc(N(C)C)cc1 ZINC000773024150 622969958 /nfs/dbraw/zinc/96/99/58/622969958.db2.gz ZXJFWTIPGHSXRL-LBPRGKRZSA-N 0 0 318.367 3.451 20 10 DGCDRN O=[N+]([O-])c1cnc(SC[C@@H]2OCCc3ccccc32)s1 ZINC000872770972 622974142 /nfs/dbraw/zinc/97/41/42/622974142.db2.gz PCKIEVBPVOSSJS-NSHDSACASA-N 0 0 308.384 3.457 20 10 DGCDRN Cc1ccccc1S(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773083901 622980270 /nfs/dbraw/zinc/98/02/70/622980270.db2.gz LCNUHQRNYNXAEH-AWEZNQCLSA-N 0 0 318.442 3.101 20 10 DGCDRN CCCC[C@H](COC)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773305963 623010795 /nfs/dbraw/zinc/01/07/95/623010795.db2.gz LSSGIPWECQPHIX-GOEBONIOSA-N 0 0 321.465 3.318 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1CCC(F)(F)C1)c1ccc(N(C)C)cc1 ZINC000773393508 623021822 /nfs/dbraw/zinc/02/18/22/623021822.db2.gz WWYYZWGASMJJIU-DGCLKSJQSA-N 0 0 311.376 3.301 20 10 DGCDRN CC[C@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCCO1 ZINC000773413237 623024574 /nfs/dbraw/zinc/02/45/74/623024574.db2.gz GLMYPWLZZDWQQZ-JQFCIGGWSA-N 0 0 319.449 3.070 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1CCOC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000773417679 623025125 /nfs/dbraw/zinc/02/51/25/623025125.db2.gz LLOGBMMLQSERJN-DZGCQCFKSA-N 0 0 319.449 3.070 20 10 DGCDRN C[C@@H](NC(=O)N1C[C@H](C)OC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000773610018 623050718 /nfs/dbraw/zinc/05/07/18/623050718.db2.gz BTAFVGSSTJOWIX-UONOGXRCSA-N 0 0 319.449 3.023 20 10 DGCDRN C[C@H](NC(=O)N1CC[C@H](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000773615373 623051644 /nfs/dbraw/zinc/05/16/44/623051644.db2.gz WLPPVQAHXLSCGE-BBRMVZONSA-N 0 0 301.434 3.255 20 10 DGCDRN C[C@@H](NC(=O)N1C[C@@H](C)S[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773624469 623052665 /nfs/dbraw/zinc/05/26/65/623052665.db2.gz MOEGYEHZLSWTRP-HZSPNIEDSA-N 0 0 321.490 3.349 20 10 DGCDRN O=C1OCC[C@H]1CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000873162477 623058036 /nfs/dbraw/zinc/05/80/36/623058036.db2.gz MGESTFSPIKHYPF-SECBINFHSA-N 0 0 318.200 3.132 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc2cccnc21 ZINC000773763666 623069961 /nfs/dbraw/zinc/06/99/61/623069961.db2.gz XRMXMVISFPOUHW-GFCCVEGCSA-N 0 0 322.364 3.007 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873230019 623082897 /nfs/dbraw/zinc/08/28/97/623082897.db2.gz KYCIINJMOQGRQS-JSGCOSHPSA-N 0 0 301.217 3.073 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873230018 623083263 /nfs/dbraw/zinc/08/32/63/623083263.db2.gz KYCIINJMOQGRQS-GXTWGEPZSA-N 0 0 301.217 3.073 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2ccnc(Cl)c2)cc1 ZINC000124463527 623098896 /nfs/dbraw/zinc/09/88/96/623098896.db2.gz VOILCHLQCHWFEN-UHFFFAOYSA-N 0 0 304.781 3.123 20 10 DGCDRN CO[C@H]1C[C@@H](COC(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000873343389 623115924 /nfs/dbraw/zinc/11/59/24/623115924.db2.gz PHRKAVOHPMQCLK-GASCZTMLSA-N 0 0 314.385 3.071 20 10 DGCDRN C[C@H]([NH2+]CCc1cnccn1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774271366 623127279 /nfs/dbraw/zinc/12/72/79/623127279.db2.gz IZOFBMJBOQIQCC-VIFPVBQESA-N 0 0 312.200 3.382 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1cc(F)cc(F)c1[O-] ZINC000774377336 623137837 /nfs/dbraw/zinc/13/78/37/623137837.db2.gz FZXDNWQJEAUJRY-SMDDNHRTSA-N 0 0 310.388 3.338 20 10 DGCDRN COc1c(O)c(CNc2ccc(C)c(F)c2)ccc1[N+](=O)[O-] ZINC000774916704 623207692 /nfs/dbraw/zinc/20/76/92/623207692.db2.gz WKDKLKYVCSEWGO-UHFFFAOYSA-N 0 0 306.293 3.369 20 10 DGCDRN Cc1cc(NCc2cc(C)c(C)cc2O)cc(OCCO)c1 ZINC000775031242 623218308 /nfs/dbraw/zinc/21/83/08/623218308.db2.gz CYPMXENBLUYOKO-UHFFFAOYSA-N 0 0 301.386 3.301 20 10 DGCDRN O=C(NCc1cccs1)NCc1ccc(N2CC=CC2)cc1 ZINC000124748981 623222349 /nfs/dbraw/zinc/22/23/49/623222349.db2.gz SWTZAKVMBCQNEI-UHFFFAOYSA-N 0 0 313.426 3.124 20 10 DGCDRN COC(=O)c1cc(Sc2ncc(C(C)(C)C)s2)ncn1 ZINC000882090207 625631355 /nfs/dbraw/zinc/63/13/55/625631355.db2.gz PUIDBWSWQGYCED-UHFFFAOYSA-N 0 0 309.416 3.168 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2C[C@H](C)C[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775111666 623232005 /nfs/dbraw/zinc/23/20/05/623232005.db2.gz OAJYHSDIPFSPFN-UTUOFQBUSA-N 0 0 308.378 3.175 20 10 DGCDRN CC(C)=C(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000874092737 623239244 /nfs/dbraw/zinc/23/92/44/623239244.db2.gz BFPUQWXQDQWICW-UHFFFAOYSA-N 0 0 320.408 3.025 20 10 DGCDRN CCC[C@H](CC)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000874094305 623239436 /nfs/dbraw/zinc/23/94/36/623239436.db2.gz ZRDRYHSFHMKVPN-HNNXBMFYSA-N 0 0 322.424 3.105 20 10 DGCDRN C[C@@H](NC/C(Cl)=C/Cl)c1ccc(N2CCOCC2)cc1 ZINC000775255053 623246609 /nfs/dbraw/zinc/24/66/09/623246609.db2.gz NTGJQJOIHITBJK-XTCQQWIJSA-N 0 0 315.244 3.493 20 10 DGCDRN Cc1cc(NS(=O)(=O)CCc2ccccc2)c(C)c(C)c1O ZINC000775291511 623249815 /nfs/dbraw/zinc/24/98/15/623249815.db2.gz KIUYQOQRWLVIIZ-UHFFFAOYSA-N 0 0 319.426 3.302 20 10 DGCDRN CCOC(CN(Cc1ccco1)Cc1ccccc1O)OCC ZINC000124942706 623258771 /nfs/dbraw/zinc/25/87/71/623258771.db2.gz WBAWRQLGZHTZPB-UHFFFAOYSA-N 0 0 319.401 3.387 20 10 DGCDRN C[C@H](NC(=O)c1ccc(O)c(F)c1)c1ccc(N(C)C)cc1 ZINC000775412209 623271869 /nfs/dbraw/zinc/27/18/69/623271869.db2.gz UXKUQIYTJOYAGH-NSHDSACASA-N 0 0 302.349 3.088 20 10 DGCDRN Cc1csc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775425907 623273842 /nfs/dbraw/zinc/27/38/42/623273842.db2.gz JGGBHNXPLBQDQC-LLVKDONJSA-N 0 0 304.419 3.400 20 10 DGCDRN CC(C)n1nccc1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775433303 623274561 /nfs/dbraw/zinc/27/45/61/623274561.db2.gz ZXPZMUIVCLYIMP-CYBMUJFWSA-N 0 0 315.421 3.413 20 10 DGCDRN CC1(C(=O)NCCCSc2nccs2)CC(F)(F)C1 ZINC000874466134 623275321 /nfs/dbraw/zinc/27/53/21/623275321.db2.gz DTWBJPIGCMLSRA-UHFFFAOYSA-N 0 0 306.403 3.177 20 10 DGCDRN CC[C@@H]([NH2+]CCN1CCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775525076 623284869 /nfs/dbraw/zinc/28/48/69/623284869.db2.gz XNQXKTNKEPCKQN-GFCCVEGCSA-N 0 0 303.233 3.445 20 10 DGCDRN CC[C@H]([NH2+]C[C@H](COC)OC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775546695 623287676 /nfs/dbraw/zinc/28/76/76/623287676.db2.gz KUKFSDHPPNSIOX-SKDRFNHKSA-N 0 0 322.232 3.401 20 10 DGCDRN Cc1noc(C)c1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775585896 623293503 /nfs/dbraw/zinc/29/35/03/623293503.db2.gz LNDRVXSGEZSLSM-SNVBAGLBSA-N 0 0 302.378 3.240 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH+]1CCN(Cc2ccsc2)CC1 ZINC000775645929 623301679 /nfs/dbraw/zinc/30/16/79/623301679.db2.gz BKPLSVYAGBMXBY-UHFFFAOYSA-N 0 0 322.861 3.425 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCc2ccc(O)cc2CC1 ZINC000775666012 623309687 /nfs/dbraw/zinc/30/96/87/623309687.db2.gz PTIPFICFIXGQHW-UHFFFAOYSA-N 0 0 321.779 3.491 20 10 DGCDRN CC[N@@H+]1C[C@H](C)N(Cc2cc(Cl)cc(F)c2[O-])C[C@H]1C ZINC000775711987 623317438 /nfs/dbraw/zinc/31/74/38/623317438.db2.gz LQQBZMCJWZGNBZ-MNOVXSKESA-N 0 0 300.805 3.099 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccn(C(F)F)n1 ZINC000775774074 623329525 /nfs/dbraw/zinc/32/95/25/623329525.db2.gz LEPJFUAOFHJRRC-UHFFFAOYSA-N 0 0 309.316 3.036 20 10 DGCDRN COc1ncc(/C=C/C(=O)N2CC[C@H](C)c3ccccc32)cn1 ZINC000775799707 623334102 /nfs/dbraw/zinc/33/41/02/623334102.db2.gz MBBGXKOLGYKTLY-GWJCSSMESA-N 0 0 309.369 3.039 20 10 DGCDRN COc1ncc(/C=C\C(=O)N(C)c2cccc3ccccc32)cn1 ZINC000775812284 623335847 /nfs/dbraw/zinc/33/58/47/623335847.db2.gz FORUPPNHKTVJSE-KHPPLWFESA-N 0 0 319.364 3.315 20 10 DGCDRN CCCCc1nc(CN[C@@H](C)c2ccc(N(C)C)cc2)no1 ZINC000775830724 623338654 /nfs/dbraw/zinc/33/86/54/623338654.db2.gz MQPZCDKYAGURPY-ZDUSSCGKSA-N 0 0 302.422 3.329 20 10 DGCDRN C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000775987673 623361348 /nfs/dbraw/zinc/36/13/48/623361348.db2.gz VZQRUYNTGBPJGI-VHSXEESVSA-N 0 0 303.233 3.223 20 10 DGCDRN CO[C@@]1(C)C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1(C)C ZINC000776220066 623398772 /nfs/dbraw/zinc/39/87/72/623398772.db2.gz JTZKJLUIMBELTR-WFASDCNBSA-N 0 0 301.789 3.478 20 10 DGCDRN CCCCCN(CCO)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776245745 623400864 /nfs/dbraw/zinc/40/08/64/623400864.db2.gz NNEKUGUGDWHIMS-HNNXBMFYSA-N 0 0 321.465 3.008 20 10 DGCDRN CCOc1ccc(CN[C@@H](C(=O)OC(C)(C)C)C(C)C)c(O)c1 ZINC000776258111 623402371 /nfs/dbraw/zinc/40/23/71/623402371.db2.gz RRCRMPUSEARGHG-MRXNPFEDSA-N 0 0 323.433 3.247 20 10 DGCDRN C[C@H](CCO)C1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCC1 ZINC000776256604 623402412 /nfs/dbraw/zinc/40/24/12/623402412.db2.gz CVRFHIHWMXBKNY-LLVKDONJSA-N 0 0 315.816 3.463 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCSCC[C@@H]1C ZINC000790375424 625645124 /nfs/dbraw/zinc/64/51/24/625645124.db2.gz NSHAAOHOZMAQKE-AWEZNQCLSA-N 0 0 321.490 3.098 20 10 DGCDRN C[C@@H](NC(=O)c1ccc2[nH]cnc2c1)c1ccc(N(C)C)cc1 ZINC000776270380 623404250 /nfs/dbraw/zinc/40/42/50/623404250.db2.gz RQXDWWDAOIYGOG-GFCCVEGCSA-N 0 0 308.385 3.120 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCO[C@H](C)C1 ZINC000776300978 623409073 /nfs/dbraw/zinc/40/90/73/623409073.db2.gz IZUPQKUSXHHOOI-WBVHZDCISA-N 0 0 318.461 3.305 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)[C@H]3CC[C@H](C)C3)CC2)cc1 ZINC000776308197 623409837 /nfs/dbraw/zinc/40/98/37/623409837.db2.gz HFCCSSWVPQNOBP-HOTGVXAUSA-N 0 0 316.445 3.170 20 10 DGCDRN COc1cc(CNC(=O)NCc2cc(C)ccc2O)ccc1C ZINC000875141167 623420545 /nfs/dbraw/zinc/42/05/45/623420545.db2.gz MOUQMEJHFQZJTC-UHFFFAOYSA-N 0 0 314.385 3.017 20 10 DGCDRN C[C@H](CNC(=O)N1Cc2cccc(O)c2C1)c1ccc(F)cc1 ZINC000875149521 623421959 /nfs/dbraw/zinc/42/19/59/623421959.db2.gz XKTMNEIXKNZVLW-GFCCVEGCSA-N 0 0 314.360 3.360 20 10 DGCDRN CCOc1ccc(CNC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000875150902 623422927 /nfs/dbraw/zinc/42/29/27/623422927.db2.gz COPNNHWRBFOHIX-UHFFFAOYSA-N 0 0 312.369 3.016 20 10 DGCDRN COc1ccc(O)c(CN2C[C@@H](C)Oc3ccc(OC)cc32)c1 ZINC000776522402 623437351 /nfs/dbraw/zinc/43/73/51/623437351.db2.gz ANUHAGJORIWHOA-GFCCVEGCSA-N 0 0 315.369 3.197 20 10 DGCDRN CCS[C@H]1CCCC[C@@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000875354189 623440501 /nfs/dbraw/zinc/44/05/01/623440501.db2.gz XRDSMUIUAJYKMO-HOCLYGCPSA-N 0 0 320.458 3.482 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1CCOC2(CCCC2)C1)c1ccccc1O ZINC000875392504 623445384 /nfs/dbraw/zinc/44/53/84/623445384.db2.gz BGIGKOSOWPHCRQ-KBPBESRZSA-N 0 0 318.417 3.244 20 10 DGCDRN Cc1cccc(C)c1CCNC(=O)N1Cc2cccc(O)c2C1 ZINC000875391806 623445414 /nfs/dbraw/zinc/44/54/14/623445414.db2.gz ZUWVEFMAQVFJBI-UHFFFAOYSA-N 0 0 310.397 3.277 20 10 DGCDRN CC[C@@H](NC(=O)c1cccc(O)c1O)c1cc(F)ccc1F ZINC000776661505 623449610 /nfs/dbraw/zinc/44/96/10/623449610.db2.gz QLWAKTBYMPVHSC-CYBMUJFWSA-N 0 0 307.296 3.257 20 10 DGCDRN CS[C@@H](CNC(=O)N1Cc2cccc(O)c2C1)C(C)(C)C ZINC000875483195 623455084 /nfs/dbraw/zinc/45/50/84/623455084.db2.gz TVRKEVQWRZLKTE-AWEZNQCLSA-N 0 0 308.447 3.195 20 10 DGCDRN C[C@H](NC(=O)NC1(C)CC(F)(F)C1)c1ccc(N(C)C)cc1 ZINC000875507741 623457517 /nfs/dbraw/zinc/45/75/17/623457517.db2.gz IYXKOLBLYQKPQK-NSHDSACASA-N 0 0 311.376 3.301 20 10 DGCDRN COC1(CNC(=O)N2Cc3cccc(O)c3C2)CCC(C)CC1 ZINC000875549859 623463725 /nfs/dbraw/zinc/46/37/25/623463725.db2.gz VRKABVDHCPOJKR-UHFFFAOYSA-N 0 0 318.417 3.013 20 10 DGCDRN COCC1(CNC(=O)N2Cc3cccc(O)c3C2)CCCCC1 ZINC000875607279 623469576 /nfs/dbraw/zinc/46/95/76/623469576.db2.gz DUTGEDRXPNLIGY-UHFFFAOYSA-N 0 0 318.417 3.014 20 10 DGCDRN C[C@H]1c2ccccc2C[C@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000875733950 623486048 /nfs/dbraw/zinc/48/60/48/623486048.db2.gz UVDRZUWKAYPILB-YVEFUNNKSA-N 0 0 308.381 3.146 20 10 DGCDRN O=C(NCC[C@H]1CC1(Cl)Cl)N1Cc2cccc(O)c2C1 ZINC000875758702 623489192 /nfs/dbraw/zinc/48/91/92/623489192.db2.gz PDKOFRSXGPXJCS-JTQLQIEISA-N 0 0 315.200 3.001 20 10 DGCDRN O=C(N[C@@H](c1ccccn1)C1CCC1)N1Cc2cccc(O)c2C1 ZINC000875811603 623495654 /nfs/dbraw/zinc/49/56/54/623495654.db2.gz KBAYFFGIKKSJJW-GOSISDBHSA-N 0 0 323.396 3.354 20 10 DGCDRN CCN(CC)c1ccc(CN2CCO[C@@H](C3CC3)C2)cc1F ZINC000777223544 623506955 /nfs/dbraw/zinc/50/69/55/623506955.db2.gz ZEZVAZVDEJAHRZ-GOSISDBHSA-N 0 0 306.425 3.283 20 10 DGCDRN CC(C)(F)CNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000875944141 623512565 /nfs/dbraw/zinc/51/25/65/623512565.db2.gz FJFCMGKQNCMRIG-UHFFFAOYSA-N 0 0 320.364 3.445 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1conc1C ZINC000875951832 623513027 /nfs/dbraw/zinc/51/30/27/623513027.db2.gz GEYFHWJNNIQSIO-UHFFFAOYSA-N 0 0 317.389 3.201 20 10 DGCDRN Cn1c(=O)oc2cc(NCc3cccc(Cl)c3O)ccc21 ZINC000777496269 623532392 /nfs/dbraw/zinc/53/23/92/623532392.db2.gz LEFRZACWXHTLAO-UHFFFAOYSA-N 0 0 304.733 3.103 20 10 DGCDRN Cc1cc(Cl)cc(CNc2ccc3c(c2)C(=O)NCC3)c1O ZINC000777496086 623532521 /nfs/dbraw/zinc/53/25/21/623532521.db2.gz MQQIMOZKLUJVQZ-UHFFFAOYSA-N 0 0 316.788 3.252 20 10 DGCDRN COc1cc(N(C)Cc2ccccc2F)cc(OC)c1OC ZINC000125755874 623540650 /nfs/dbraw/zinc/54/06/50/623540650.db2.gz GBOZNOYAEDUXFJ-UHFFFAOYSA-N 0 0 305.349 3.488 20 10 DGCDRN COc1cccc(O)c1CNc1cccc2c1OCC[C@H]2OC ZINC000790486550 625660784 /nfs/dbraw/zinc/66/07/84/625660784.db2.gz QFPYNYDVQHUDDY-QGZVFWFLSA-N 0 0 315.369 3.483 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1N(C)CCCC1(C)C)c1cc(F)cc(F)c1[O-] ZINC000790495873 625661535 /nfs/dbraw/zinc/66/15/35/625661535.db2.gz CZEMILOMOBHVDA-IAQYHMDHSA-N 0 0 312.404 3.441 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC12CCC2 ZINC000876425380 623607491 /nfs/dbraw/zinc/60/74/91/623607491.db2.gz ATYLMSYRMLSPDJ-INIZCTEOSA-N 0 0 301.434 3.227 20 10 DGCDRN CC[C@@H](C)CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000790512443 625663118 /nfs/dbraw/zinc/66/31/18/625663118.db2.gz AGVQKYFSVFMZFD-CABCVRRESA-N 0 0 304.434 3.137 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1ccc2c(c1)COC2 ZINC000778225434 623627897 /nfs/dbraw/zinc/62/78/97/623627897.db2.gz YESCZAFYVPJGDT-UHFFFAOYSA-N 0 0 310.397 3.182 20 10 DGCDRN Nc1ccc(CCNC(=O)c2ccc(C3CCOCC3)cc2)cc1 ZINC000876528310 623634426 /nfs/dbraw/zinc/63/44/26/623634426.db2.gz OWULKRILXQJTRW-UHFFFAOYSA-N 0 0 324.424 3.135 20 10 DGCDRN Nc1ccc(CCNC(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)cc1 ZINC000876528193 623634664 /nfs/dbraw/zinc/63/46/64/623634664.db2.gz RZAGNXSIIHQFAP-ZWKOTPCHSA-N 0 0 312.388 3.260 20 10 DGCDRN CCCN1C(=O)C2(CCCCC2)N[C@H]1c1cccc(F)c1O ZINC000778523597 623663877 /nfs/dbraw/zinc/66/38/77/623663877.db2.gz BMHANCUCZUSBFF-OAHLLOKOSA-N 0 0 306.381 3.075 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2cc(C)on2)cc1 ZINC000021835520 623696628 /nfs/dbraw/zinc/69/66/28/623696628.db2.gz ZUYBPNJTHPDYFP-UHFFFAOYSA-N 0 0 316.405 3.493 20 10 DGCDRN [O-]c1c(CN2CCC[C@H]([NH+]3CCCC3)CC2)ccc(F)c1F ZINC000876753863 623698213 /nfs/dbraw/zinc/69/82/13/623698213.db2.gz BDGQMBYTNPCKJO-AWEZNQCLSA-N 0 0 310.388 3.121 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1cc2ccc(F)cc2s1 ZINC000778918611 623711113 /nfs/dbraw/zinc/71/11/13/623711113.db2.gz LICYMCJXKXXSOF-UHFFFAOYSA-N 0 0 317.341 3.382 20 10 DGCDRN C[C@@H](C(=O)NCc1ccc(O)c(O)c1)c1cccc(Cl)c1 ZINC000778919992 623711440 /nfs/dbraw/zinc/71/14/40/623711440.db2.gz SFLABTHULARKFL-SNVBAGLBSA-N 0 0 305.761 3.171 20 10 DGCDRN Cc1cccc(O)c1CNc1ccc(N2CCC(O)CC2)cc1 ZINC000876821667 623717937 /nfs/dbraw/zinc/71/79/37/623717937.db2.gz NKNPJBBYIJGKJF-UHFFFAOYSA-N 0 0 312.413 3.274 20 10 DGCDRN CCc1ccccc1NC(=O)CN(C)Cc1cc(F)ccc1O ZINC000778995395 623718145 /nfs/dbraw/zinc/71/81/45/623718145.db2.gz RJPAVVFIQPLNFL-UHFFFAOYSA-N 0 0 316.376 3.164 20 10 DGCDRN CCS(=O)(=O)Nc1ccc(NCc2c(C)cccc2O)cc1 ZINC000876843135 623726048 /nfs/dbraw/zinc/72/60/48/623726048.db2.gz PEACICYXOBCTJT-UHFFFAOYSA-N 0 0 320.414 3.074 20 10 DGCDRN CCOC[C@H](C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000779075289 623727591 /nfs/dbraw/zinc/72/75/91/623727591.db2.gz XPYHOLQMOVCGAA-IUCAKERBSA-N 0 0 320.202 3.369 20 10 DGCDRN CC(C)(C)Oc1ccc(CNC(=O)c2cccc(O)c2O)cc1 ZINC000790570814 625671461 /nfs/dbraw/zinc/67/14/61/625671461.db2.gz HEYXLHWIIDKDAO-UHFFFAOYSA-N 0 0 315.369 3.205 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)OCc2cnns2)cc1 ZINC000779249755 623747268 /nfs/dbraw/zinc/74/72/68/623747268.db2.gz LXXAIIBJFQGCNZ-UHFFFAOYSA-N 0 0 313.382 3.303 20 10 DGCDRN Cc1c(CNC(=O)c2cccc(O)c2O)oc2ccc(F)cc12 ZINC000790580375 625673010 /nfs/dbraw/zinc/67/30/10/625673010.db2.gz ORAIKBUXJJXJJP-UHFFFAOYSA-N 0 0 315.300 3.222 20 10 DGCDRN COc1ccc(C(C)(C)NC(=O)Cc2ccc(N)cc2)cc1F ZINC000877026839 623768666 /nfs/dbraw/zinc/76/86/66/623768666.db2.gz IEJJYNJLWVNFPK-UHFFFAOYSA-N 0 0 316.376 3.011 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccnnc2C)cc1 ZINC000779470026 623773346 /nfs/dbraw/zinc/77/33/46/623773346.db2.gz NKNMEVCQIGEXBW-UHFFFAOYSA-N 0 0 306.369 3.445 20 10 DGCDRN CCc1ccc([C@H](COC)[NH2+]Cc2ccc(F)c(F)c2[O-])o1 ZINC000877043927 623774298 /nfs/dbraw/zinc/77/42/98/623774298.db2.gz SMROGNIQZNGBJV-ZDUSSCGKSA-N 0 0 311.328 3.303 20 10 DGCDRN CN(Cc1ccc(Cl)s1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779489480 623774487 /nfs/dbraw/zinc/77/44/87/623774487.db2.gz PKBVMQTYSTYKFJ-CLTKARDFSA-N 0 0 323.801 3.485 20 10 DGCDRN COc1c(Cl)cccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779500177 623775139 /nfs/dbraw/zinc/77/51/39/623775139.db2.gz PZAQEEUZZTVMBB-SOFGYWHQSA-N 0 0 319.744 3.412 20 10 DGCDRN C[C@@H]1C[C@H]1c1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)o1 ZINC000779500344 623775205 /nfs/dbraw/zinc/77/52/05/623775205.db2.gz PAFGNXBVDBALKZ-HSUNPXRSSA-N 0 0 313.353 3.144 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC1CC(c2ccccc2)C1 ZINC000779511353 623775737 /nfs/dbraw/zinc/77/57/37/623775737.db2.gz HTDVFBIFSBXYBE-CLFYSBASSA-N 0 0 309.365 3.173 20 10 DGCDRN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779518031 623776817 /nfs/dbraw/zinc/77/68/17/623776817.db2.gz VHIIDCLBKTZIFD-OSSXQKGLSA-N 0 0 309.365 3.161 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(Cl)cc1O ZINC000779541774 623778270 /nfs/dbraw/zinc/77/82/70/623778270.db2.gz JVBWRNMMFLRFGL-QHHAFSJGSA-N 0 0 305.717 3.109 20 10 DGCDRN COc1ccc2c(c1)OCC[C@H]2[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877064795 623781829 /nfs/dbraw/zinc/78/18/29/623781829.db2.gz UFMXKWBHCVNTPY-CQSZACIVSA-N 0 0 321.323 3.292 20 10 DGCDRN CN(C(=O)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21)c1ccc(N)cc1 ZINC000877074146 623784377 /nfs/dbraw/zinc/78/43/77/623784377.db2.gz AEAWCLOWAQGJEM-HYVNUMGLSA-N 0 0 312.800 3.471 20 10 DGCDRN CN(C(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1)c1ccc(N)cc1 ZINC000877074244 623784462 /nfs/dbraw/zinc/78/44/62/623784462.db2.gz DMGARGASJFZPQY-MSOLQXFVSA-N 0 0 310.397 3.022 20 10 DGCDRN CN(C(=O)CCc1ncc(C(C)(C)C)o1)c1ccc(N)cc1 ZINC000877075870 623785224 /nfs/dbraw/zinc/78/52/24/623785224.db2.gz KJMCFGKJVPBTMV-UHFFFAOYSA-N 0 0 301.390 3.150 20 10 DGCDRN CCCN(CCC)C(=O)CCCC(=O)N(C)c1ccc(N)cc1 ZINC000877078240 623785926 /nfs/dbraw/zinc/78/59/26/623785926.db2.gz IXSPULOJNKOKKH-UHFFFAOYSA-N 0 0 319.449 3.051 20 10 DGCDRN OC1CCN(c2ccc(CNc3ccc4c(c3)COC4)cc2)CC1 ZINC000877118581 623795031 /nfs/dbraw/zinc/79/50/31/623795031.db2.gz GYIPACRIANPBAA-UHFFFAOYSA-N 0 0 324.424 3.290 20 10 DGCDRN Cc1ccc(CN[C@@H](c2nc(C3CC3)no2)C(C)C)c(O)c1 ZINC000877149568 623808819 /nfs/dbraw/zinc/80/88/19/623808819.db2.gz CQQFANPUEGDUQB-OAHLLOKOSA-N 0 0 301.390 3.448 20 10 DGCDRN CC[C@H](C)[C@@H](CN(C)c1cc(OC)c(OC)c(OC)c1)OC ZINC000877179989 623819067 /nfs/dbraw/zinc/81/90/67/623819067.db2.gz MILMPWWKOVJASG-BLLLJJGKSA-N 0 0 311.422 3.210 20 10 DGCDRN CC1(C(=O)NCc2ccc(N3CCOCC3)cc2)CCCCC1 ZINC000129560651 625681093 /nfs/dbraw/zinc/68/10/93/625681093.db2.gz NMPLSIHEPDWHDE-UHFFFAOYSA-N 0 0 316.445 3.110 20 10 DGCDRN Cc1nocc1NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000888746622 623878339 /nfs/dbraw/zinc/87/83/39/623878339.db2.gz URCZDOMIWBWHTF-UHFFFAOYSA-N 0 0 316.405 3.492 20 10 DGCDRN CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])[nH]1 ZINC000877475121 623899610 /nfs/dbraw/zinc/89/96/10/623899610.db2.gz MBJWBIMVHKMFAO-RKDXNWHRSA-N 0 0 310.348 3.153 20 10 DGCDRN CCOC1CC(C[NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000877479829 623903568 /nfs/dbraw/zinc/90/35/68/623903568.db2.gz YXTONIGBLXXMFX-UHFFFAOYSA-N 0 0 314.223 3.059 20 10 DGCDRN Cc1cccc(O)c1C[N@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000877494737 623910989 /nfs/dbraw/zinc/91/09/89/623910989.db2.gz SMVMNZPHRFKSGF-INIZCTEOSA-N 0 0 324.424 3.186 20 10 DGCDRN Cc1cccc(O)c1C[N@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000877517034 623919912 /nfs/dbraw/zinc/91/99/12/623919912.db2.gz KVUQEBVSWBFPKS-UHFFFAOYSA-N 0 0 323.396 3.425 20 10 DGCDRN O=C(NCc1ccccc1O)c1ccc([C@@H]2CCCOC2)cc1 ZINC000780452165 623932626 /nfs/dbraw/zinc/93/26/26/623932626.db2.gz RRMDPHQCFSEBKR-QGZVFWFLSA-N 0 0 311.381 3.216 20 10 DGCDRN Cc1ccc(CN(C)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000780773601 623981527 /nfs/dbraw/zinc/98/15/27/623981527.db2.gz AJPPOKHYLBOTSN-UHFFFAOYSA-N 0 0 300.314 3.268 20 10 DGCDRN CC(=O)N[C@H]1Cc2ccccc2N(Cc2cc(C)c(C)cc2O)C1 ZINC000780778916 623982407 /nfs/dbraw/zinc/98/24/07/623982407.db2.gz XZEZJKLRRHBHDP-SFHVURJKSA-N 0 0 324.424 3.076 20 10 DGCDRN CCC1([NH+](C)C)CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000877689275 623992687 /nfs/dbraw/zinc/99/26/87/623992687.db2.gz DBABNROWGJGBEE-UHFFFAOYSA-N 0 0 314.832 3.491 20 10 DGCDRN CCN(C(=O)c1cccc(O)c1O)[C@H](C)c1ccc(F)cc1 ZINC000790744275 625692136 /nfs/dbraw/zinc/69/21/36/625692136.db2.gz AMAJXWUOSPAHDR-LLVKDONJSA-N 0 0 303.333 3.460 20 10 DGCDRN C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000877696724 623994923 /nfs/dbraw/zinc/99/49/23/623994923.db2.gz WWRONMJMIZFUBP-QGZVFWFLSA-N 0 0 323.795 3.268 20 10 DGCDRN [O-]c1c(Br)cccc1C[N@@H+]1CCCSCC1 ZINC000780893518 623995652 /nfs/dbraw/zinc/99/56/52/623995652.db2.gz QITMQKSBRGVEIC-UHFFFAOYSA-N 0 0 302.237 3.094 20 10 DGCDRN COc1ccc(Cl)c(NC(=O)c2ccc(C)c(O)c2O)c1 ZINC000780908070 623996136 /nfs/dbraw/zinc/99/61/36/623996136.db2.gz NTHDQSRKWHHAPL-UHFFFAOYSA-N 0 0 307.733 3.321 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000877739350 624012017 /nfs/dbraw/zinc/01/20/17/624012017.db2.gz RUIMFLLEYRWRAT-KOLCDFICSA-N 0 0 301.814 3.370 20 10 DGCDRN C[N@@H+]1CC[C@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])CC[C@@H]21 ZINC000877744635 624016907 /nfs/dbraw/zinc/01/69/07/624016907.db2.gz WFCGXPSRSSYFAC-HZMBPMFUSA-N 0 0 315.244 3.225 20 10 DGCDRN COc1cc(Cl)cc(C[NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)c1O ZINC000877807517 624040494 /nfs/dbraw/zinc/04/04/94/624040494.db2.gz WTYDTUGKJOBCJA-DDTOSNHZSA-N 0 0 311.809 3.101 20 10 DGCDRN CN1C(=O)c2ccccc2N[C@H]1c1cc(Cl)c(F)cc1O ZINC000877845630 624067321 /nfs/dbraw/zinc/06/73/21/624067321.db2.gz WCXYEQDFDYBISA-CQSZACIVSA-N 0 0 306.724 3.381 20 10 DGCDRN CN(C)c1cc(F)c([C@H]2Nc3cc(F)ccc3C(=O)N2)cc1F ZINC000877847529 624068285 /nfs/dbraw/zinc/06/82/85/624068285.db2.gz BDVNSUHCFWCENL-HNNXBMFYSA-N 0 0 321.302 3.024 20 10 DGCDRN CN(C)c1ccc([C@@H]2Nc3cc(F)c(F)cc3C(=O)N2)cc1F ZINC000877858176 624071567 /nfs/dbraw/zinc/07/15/67/624071567.db2.gz IDFUDVSNHMNYAF-OAHLLOKOSA-N 0 0 321.302 3.024 20 10 DGCDRN Cc1ccc2c(c1)C(=O)N[C@@H](c1cc(Cl)cc(F)c1O)N2 ZINC000877861977 624073136 /nfs/dbraw/zinc/07/31/36/624073136.db2.gz RLASIECMPMZBCY-AWEZNQCLSA-N 0 0 306.724 3.347 20 10 DGCDRN Cc1ccc2c(c1)N[C@@H](c1cc(Cl)c(F)cc1O)NC2=O ZINC000877864658 624073953 /nfs/dbraw/zinc/07/39/53/624073953.db2.gz PYJVTFHJRAPPSL-CQSZACIVSA-N 0 0 306.724 3.347 20 10 DGCDRN COc1cc(Cl)cc([C@@H]2NC(=O)c3ccc(C)cc3N2)c1O ZINC000877865102 624075000 /nfs/dbraw/zinc/07/50/00/624075000.db2.gz VDQNJEUSQOWICJ-HNNXBMFYSA-N 0 0 318.760 3.217 20 10 DGCDRN COC(=O)[C@H]1CCCCCN1Cc1cc(Cl)cc(C)c1O ZINC000781526425 624087785 /nfs/dbraw/zinc/08/77/85/624087785.db2.gz DCLWQXGDYVFANZ-CQSZACIVSA-N 0 0 311.809 3.272 20 10 DGCDRN CC(C)Cc1nnc(NC(=O)N[C@@H](C)c2ccccc2O)s1 ZINC000877964573 624114264 /nfs/dbraw/zinc/11/42/64/624114264.db2.gz IGEIRXZNXSEAGG-JTQLQIEISA-N 0 0 320.418 3.325 20 10 DGCDRN C[C@H](NC(=O)C1=CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000126862188 624143831 /nfs/dbraw/zinc/14/38/31/624143831.db2.gz UJUGBVIRFROIGA-HNNXBMFYSA-N 0 0 314.429 3.201 20 10 DGCDRN CO[C@H]1CCC[N@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781895768 624166636 /nfs/dbraw/zinc/16/66/36/624166636.db2.gz DKTQBGXVEPJNJR-LBPRGKRZSA-N 0 0 314.223 3.074 20 10 DGCDRN Cc1cc(C(=O)OCC(=O)CC2CC2)c(C)n1-c1ccccn1 ZINC000782699715 624278165 /nfs/dbraw/zinc/27/81/65/624278165.db2.gz CMLVOFOOAVCSBS-UHFFFAOYSA-N 0 0 312.369 3.015 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2c[nH]cc2C2CC2)cc1F ZINC000878531991 624300333 /nfs/dbraw/zinc/30/03/33/624300333.db2.gz SOOMEDOEDPJXNB-UHFFFAOYSA-N 0 0 301.365 3.027 20 10 DGCDRN C[C@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[n-]1)c1ccccc1O ZINC000783517765 624360668 /nfs/dbraw/zinc/36/06/68/624360668.db2.gz IXWFSWOZFQKEQO-NSHDSACASA-N 0 0 312.348 3.167 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)C[C@@H](C)O)c(C)n1-c1cccc(C)c1 ZINC000783628484 624376379 /nfs/dbraw/zinc/37/63/79/624376379.db2.gz KQGSCEWDMOLVCE-UKRRQHHQSA-N 0 0 314.429 3.292 20 10 DGCDRN CC(C)(C)c1cc(O)c(O)c(CN2CCOC3(CCC3)C2)c1 ZINC000129643529 625716070 /nfs/dbraw/zinc/71/60/70/625716070.db2.gz KJKBDOSXPGHEJF-UHFFFAOYSA-N 0 0 305.418 3.150 20 10 DGCDRN Cc1ccncc1/C=C\C(=O)N(CC(F)(F)F)c1ccccn1 ZINC000783928935 624409817 /nfs/dbraw/zinc/40/98/17/624409817.db2.gz UXSBFTAORVTUNI-WAYWQWQTSA-N 0 0 321.302 3.394 20 10 DGCDRN C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC(C)(C)C1 ZINC000783931171 624410667 /nfs/dbraw/zinc/41/06/67/624410667.db2.gz ZADZXXHZKNWALI-AWEZNQCLSA-N 0 0 303.450 3.330 20 10 DGCDRN CC[C@H]([NH2+][C@@H](CO)CC(F)(F)F)c1cccc(Cl)c1[O-] ZINC000806149439 624410670 /nfs/dbraw/zinc/41/06/70/624410670.db2.gz SNCXOXWMWMEBDA-KCJUWKMLSA-N 0 0 311.731 3.400 20 10 DGCDRN CC(C)CCCCCC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783981333 624416210 /nfs/dbraw/zinc/41/62/10/624416210.db2.gz PTXKHXROKMSAHE-UHFFFAOYSA-N 0 0 308.374 3.430 20 10 DGCDRN CCOc1ccc(N(CCC2OCCCO2)CC2CC2)cc1 ZINC000879116841 624430245 /nfs/dbraw/zinc/43/02/45/624430245.db2.gz AXWBAZKZHFHYTH-UHFFFAOYSA-N 0 0 305.418 3.455 20 10 DGCDRN CCc1nnc(CN(CC)c2ccc(OC)c(OC)c2)s1 ZINC000784177008 624450149 /nfs/dbraw/zinc/45/01/49/624450149.db2.gz SVFRONKBCOTILE-UHFFFAOYSA-N 0 0 307.419 3.144 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2C[C@H](C)CC(C)(C)C2)cc1OC ZINC000784180173 624450267 /nfs/dbraw/zinc/45/02/67/624450267.db2.gz CGERCJHHEAVZHJ-LLVKDONJSA-N 0 0 308.378 3.484 20 10 DGCDRN C[C@H](C1CC1)n1cc(NC(=O)N[C@@H](C)c2ccccc2O)cn1 ZINC000879296245 624489747 /nfs/dbraw/zinc/48/97/47/624489747.db2.gz IKWWUNGDHRQPSL-NWDGAFQWSA-N 0 0 314.389 3.442 20 10 DGCDRN Cc1cccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c1Cl ZINC000784363723 624511738 /nfs/dbraw/zinc/51/17/38/624511738.db2.gz IWUPQKLFSMYHBC-UHFFFAOYSA-N 0 0 320.728 3.099 20 10 DGCDRN COC(=O)COc1ccc(N(C)Cc2c(F)cccc2F)cc1 ZINC000784562950 624549101 /nfs/dbraw/zinc/54/91/01/624549101.db2.gz BVKOKSCMQGYFJU-UHFFFAOYSA-N 0 0 321.323 3.153 20 10 DGCDRN CCC1(C(=O)OCC(=O)c2ccc(O)c(O)c2)CCCCC1 ZINC000784733708 624577851 /nfs/dbraw/zinc/57/78/51/624577851.db2.gz DJELEDKBSMEKGH-UHFFFAOYSA-N 0 0 306.358 3.184 20 10 DGCDRN CC(=O)c1nc(NC(=O)N(C)Cc2ccccc2O)sc1C ZINC000879773594 624672354 /nfs/dbraw/zinc/67/23/54/624672354.db2.gz LYWGOVCOCNSOJI-UHFFFAOYSA-N 0 0 319.386 3.024 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cc(C)nc(C)n1 ZINC000880307960 624906183 /nfs/dbraw/zinc/90/61/83/624906183.db2.gz BDPHSKKHIGMVHE-UHFFFAOYSA-N 0 0 314.389 3.243 20 10 DGCDRN CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000786574834 624922321 /nfs/dbraw/zinc/92/23/21/624922321.db2.gz GQQRLOJFGBESKX-DJLDLDEBSA-N 0 0 320.202 3.368 20 10 DGCDRN Cc1ccccc1C[C@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000786583255 624925972 /nfs/dbraw/zinc/92/59/72/624925972.db2.gz QBQUBEUZUOQOMZ-SWLSCSKDSA-N 0 0 321.367 3.233 20 10 DGCDRN CC[C@H](N[C@H](C)c1cc(C(=O)OC)ccc1O)C(F)(F)F ZINC000786972323 624968796 /nfs/dbraw/zinc/96/87/96/624968796.db2.gz CCVPORRNROFWGX-PELKAZGASA-N 0 0 305.296 3.170 20 10 DGCDRN COCC1CN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C1 ZINC000880595231 624984933 /nfs/dbraw/zinc/98/49/33/624984933.db2.gz ZMSVGJIJYRZRTI-UHFFFAOYSA-N 0 0 312.413 3.121 20 10 DGCDRN COc1cc(O)c(CN[C@@H](C(C)C)C(F)(F)F)cc1OC ZINC000787441734 625011001 /nfs/dbraw/zinc/01/10/01/625011001.db2.gz YYGLVEWTHONULL-ZDUSSCGKSA-N 0 0 307.312 3.086 20 10 DGCDRN Cc1cc(C)c2c(N)c(C(=O)OCC[C@@H]3CCCO3)sc2n1 ZINC000787607699 625023751 /nfs/dbraw/zinc/02/37/51/625023751.db2.gz FYELGFDVVVBZBM-NSHDSACASA-N 0 0 320.414 3.221 20 10 DGCDRN Cc1ccc(NC(=O)c2cccc(O)c2O)cc1OC(C)C ZINC000787630600 625025464 /nfs/dbraw/zinc/02/54/64/625025464.db2.gz QMQTWCTVENDPKQ-UHFFFAOYSA-N 0 0 301.342 3.446 20 10 DGCDRN Cn1cc(/C=C\C(=O)N2CCCSc3ccc(F)cc32)cn1 ZINC000787986347 625083952 /nfs/dbraw/zinc/08/39/52/625083952.db2.gz BTUAICSDBJZXDB-UTCJRWHESA-N 0 0 317.389 3.101 20 10 DGCDRN COC(=O)[C@H](N[C@H](C)c1ccc(N(C)C)cc1)c1ccsc1 ZINC000788400636 625152473 /nfs/dbraw/zinc/15/24/73/625152473.db2.gz MGKCEINKKODTQA-MLGOLLRUSA-N 0 0 318.442 3.379 20 10 DGCDRN COC(=O)[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)c1ccsc1 ZINC000788400637 625152580 /nfs/dbraw/zinc/15/25/80/625152580.db2.gz MGKCEINKKODTQA-WBMJQRKESA-N 0 0 318.442 3.379 20 10 DGCDRN COc1ccc(CNCc2nc(-c3ccccc3)no2)cc1C ZINC000788433346 625169047 /nfs/dbraw/zinc/16/90/47/625169047.db2.gz VNSOZJAPAIBIPR-UHFFFAOYSA-N 0 0 309.369 3.343 20 10 DGCDRN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000788690274 625245164 /nfs/dbraw/zinc/24/51/64/625245164.db2.gz HYTKCSUDOSMQSI-ILXRZTDVSA-N 0 0 303.450 3.329 20 10 DGCDRN COc1ccc(O)c(CNc2cccc3c2OCC[C@H]3OC)c1 ZINC000790944552 625719599 /nfs/dbraw/zinc/71/95/99/625719599.db2.gz BKBLUXFVEYSNPG-QGZVFWFLSA-N 0 0 315.369 3.483 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1cn2ccccc2n1 ZINC000790947669 625720423 /nfs/dbraw/zinc/72/04/23/625720423.db2.gz VXKWIGOBKYPMQA-UHFFFAOYSA-N 0 0 305.740 3.122 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCN1Cc2ccccc2C1 ZINC000790959049 625723848 /nfs/dbraw/zinc/72/38/48/625723848.db2.gz VXBZRSCQFSLAST-UHFFFAOYSA-N 0 0 320.795 3.290 20 10 DGCDRN C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790966410 625724339 /nfs/dbraw/zinc/72/43/39/625724339.db2.gz OJGXXLPPQSDWMW-IAQYHMDHSA-N 0 0 323.795 3.439 20 10 DGCDRN C[C@@](CO)([NH2+]Cc1c([O-])ccc(Cl)c1F)c1ccccc1 ZINC000790966658 625724898 /nfs/dbraw/zinc/72/48/98/625724898.db2.gz YHKVDQREQANTDP-INIZCTEOSA-N 0 0 309.768 3.182 20 10 DGCDRN CN(C)[C@H]1CCOc2c(NC(=O)C3=CC(=O)CS3)cccc21 ZINC000791039752 625743668 /nfs/dbraw/zinc/74/36/68/625743668.db2.gz XTBMXACUGVOELL-ZDUSSCGKSA-N 0 0 318.398 3.091 20 10 DGCDRN CC[C@@H](C)n1ncc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1C ZINC000791582960 625830384 /nfs/dbraw/zinc/83/03/84/625830384.db2.gz KOLJSAPDPSUTDK-BPOWMSRESA-N 0 0 315.373 3.226 20 10 DGCDRN COCCOc1ccc(NCc2cc(F)cc(F)c2O)cc1 ZINC000882908575 625853844 /nfs/dbraw/zinc/85/38/44/625853844.db2.gz XCZMXQLATOMWIF-UHFFFAOYSA-N 0 0 309.312 3.308 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCCSc1nccs1 ZINC000883012477 625896777 /nfs/dbraw/zinc/89/67/77/625896777.db2.gz HXVDLWMUFVASJB-UHFFFAOYSA-N 0 0 316.398 3.399 20 10 DGCDRN CC(C)(NC(=O)NCc1ccc(N2CCCC2)cc1)C(F)F ZINC000792027009 625900571 /nfs/dbraw/zinc/90/05/71/625900571.db2.gz FGCHGMOWTZORBT-UHFFFAOYSA-N 0 0 311.376 3.130 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cccc2c1CCCN2 ZINC000130808702 625905764 /nfs/dbraw/zinc/90/57/64/625905764.db2.gz IHRGGAATZVORRP-UHFFFAOYSA-N 0 0 323.440 3.349 20 10 DGCDRN C[C@@H](O)C[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000883041397 625908031 /nfs/dbraw/zinc/90/80/31/625908031.db2.gz LDUYVTKOAIICJY-TZMCWYRMSA-N 0 0 321.367 3.315 20 10 DGCDRN O=C(Nc1ccc(NCc2cc(F)cc(F)c2O)cn1)C1CC1 ZINC000883072264 625916757 /nfs/dbraw/zinc/91/67/57/625916757.db2.gz GLDIELBHHAHGRD-UHFFFAOYSA-N 0 0 319.311 3.026 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1CN1CC[NH+](C2CCCC2)CC1 ZINC000792162058 625917179 /nfs/dbraw/zinc/91/71/79/625917179.db2.gz ADLQCUNCEHRYSG-UHFFFAOYSA-N 0 0 312.816 3.245 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000883076300 625917477 /nfs/dbraw/zinc/91/74/77/625917477.db2.gz ZJFLPMLJBJPHRV-MAZHCROVSA-N 0 0 309.356 3.108 20 10 DGCDRN C[C@@H]1c2nncn2CCN1Cc1cc(-c2ccccc2)ccc1O ZINC000792186042 625921818 /nfs/dbraw/zinc/92/18/18/625921818.db2.gz FVZQZYUEIGSWPB-CQSZACIVSA-N 0 0 320.396 3.228 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc2oc(=O)oc2c1)c1ccc(N(C)C)cc1 ZINC000883092063 625924612 /nfs/dbraw/zinc/92/46/12/625924612.db2.gz FCKPPMIHYTZIOS-LBPRGKRZSA-N 0 0 312.369 3.303 20 10 DGCDRN O=C(CCSCc1ccccc1)NCc1ccc(O)c(O)c1 ZINC000792237678 625929931 /nfs/dbraw/zinc/92/99/31/625929931.db2.gz HGMFJPDKYRHYRP-UHFFFAOYSA-N 0 0 317.410 3.038 20 10 DGCDRN CC[C@@H](C(=O)OC(C)(C)C)N1CCOc2cc(N(C)C)ccc21 ZINC000792268671 625931963 /nfs/dbraw/zinc/93/19/63/625931963.db2.gz OTVBISIXGVNSOD-AWEZNQCLSA-N 0 0 320.433 3.072 20 10 DGCDRN CC[C@@H](COCC(F)(F)F)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883132060 625938110 /nfs/dbraw/zinc/93/81/10/625938110.db2.gz DVQPXTDHOONHKY-JTQLQIEISA-N 0 0 313.266 3.118 20 10 DGCDRN COC[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1cccc(OC)c1 ZINC000883167158 625950711 /nfs/dbraw/zinc/95/07/11/625950711.db2.gz REFNJCSWXKEFBW-MRXNPFEDSA-N 0 0 323.339 3.156 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCN(C2CCCCC2)C1 ZINC000883174494 625953492 /nfs/dbraw/zinc/95/34/92/625953492.db2.gz LOPNQVVDAXSKPN-CQSZACIVSA-N 0 0 310.388 3.167 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CCN(C2CCCCC2)C1 ZINC000883174493 625953633 /nfs/dbraw/zinc/95/36/33/625953633.db2.gz LOPNQVVDAXSKPN-AWEZNQCLSA-N 0 0 310.388 3.167 20 10 DGCDRN COc1ccc(N(CCC(C)C)C[C@H](O)COC(C)C)cc1 ZINC000796503071 626056699 /nfs/dbraw/zinc/05/66/99/626056699.db2.gz HADDNBUQZCOISG-KRWDZBQOSA-N 0 0 309.450 3.334 20 10 DGCDRN CC[C@@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000796680470 626072855 /nfs/dbraw/zinc/07/28/55/626072855.db2.gz SPLLMPZQGQFJHB-JKIFEVAISA-N 0 0 324.440 3.071 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1ccc(F)cc1[O-] ZINC000796795958 626084448 /nfs/dbraw/zinc/08/44/48/626084448.db2.gz FSOPGZFDZZFOCR-BLLLJJGKSA-N 0 0 307.365 3.016 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccc(F)cc1[O-] ZINC000796837324 626088371 /nfs/dbraw/zinc/08/83/71/626088371.db2.gz WOFGEKQBNWATDA-ZBFHGGJFSA-N 0 0 323.408 3.300 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1ccc(F)cc1[O-] ZINC000797131398 626116730 /nfs/dbraw/zinc/11/67/30/626116730.db2.gz GBRRZZIMBCFZDQ-IPQOISQHSA-N 0 0 321.417 3.261 20 10 DGCDRN C[C@@H]1[C@@H](C(=O)NCc2ccc(N(C)C)cc2)[C@@H]1c1ccccc1 ZINC000797422892 626142096 /nfs/dbraw/zinc/14/20/96/626142096.db2.gz ZXMWTHUVPLTXBR-ZOCIIQOWSA-N 0 0 308.425 3.419 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NC[C@@H]2CCC[C@H](C)[C@@H]2C)c1 ZINC000797458517 626144441 /nfs/dbraw/zinc/14/44/41/626144441.db2.gz NCGVOTJBXBGOET-IHRRRGAJSA-N 0 0 320.433 3.272 20 10 DGCDRN COc1cccc(CNCc2c(F)cc(F)c(F)c2F)c1O ZINC000797468631 626145249 /nfs/dbraw/zinc/14/52/49/626145249.db2.gz OQOOIIANLJMTRR-UHFFFAOYSA-N 0 0 315.266 3.247 20 10 DGCDRN CC1=C[C@H](C)CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000797518579 626150821 /nfs/dbraw/zinc/15/08/21/626150821.db2.gz CJMRGILIJRFJLL-DZGCQCFKSA-N 0 0 301.434 3.421 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccn(C(C)C)n2)c1 ZINC000797681736 626163707 /nfs/dbraw/zinc/16/37/07/626163707.db2.gz VSIWCNZIOLCWRD-LLVKDONJSA-N 0 0 318.377 3.061 20 10 DGCDRN COc1cc(NC(=O)NCc2ccccc2O)c(C)cc1C ZINC000797676777 626163774 /nfs/dbraw/zinc/16/37/74/626163774.db2.gz UCFDJUMTRDTELG-UHFFFAOYSA-N 0 0 300.358 3.339 20 10 DGCDRN COc1ccc2c(c1)CCCN2CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000797726049 626166105 /nfs/dbraw/zinc/16/61/05/626166105.db2.gz YXBXWVYDEBVFBS-HUUCEWRRSA-N 0 0 316.445 3.237 20 10 DGCDRN CC1=CCC[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000797822648 626171203 /nfs/dbraw/zinc/17/12/03/626171203.db2.gz DEIPLDBIDLEOFW-UHFFFAOYSA-N 0 0 323.392 3.481 20 10 DGCDRN COc1cc(NS(=O)(=O)/C=C\c2ccc(C)cc2)ccc1O ZINC000797819341 626171347 /nfs/dbraw/zinc/17/13/47/626171347.db2.gz GPNQTNVZJSARQL-KTKRTIGZSA-N 0 0 319.382 3.122 20 10 DGCDRN Cc1cc(Cl)cc(CNc2ccc(C(N)=O)c(C)c2)c1O ZINC000798085544 626193000 /nfs/dbraw/zinc/19/30/00/626193000.db2.gz RJJQCSZJDVYDNW-UHFFFAOYSA-N 0 0 304.777 3.373 20 10 DGCDRN COc1cc(Cl)cc(CNc2ccc(C(N)=O)c(C)c2)c1O ZINC000798085803 626193086 /nfs/dbraw/zinc/19/30/86/626193086.db2.gz ZXKXUCZGJIIIPX-UHFFFAOYSA-N 0 0 320.776 3.074 20 10 DGCDRN CCC(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000798121382 626195460 /nfs/dbraw/zinc/19/54/60/626195460.db2.gz HFSAFERUEHQUAM-UHFFFAOYSA-N 0 0 303.333 3.369 20 10 DGCDRN C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000798184620 626200918 /nfs/dbraw/zinc/20/09/18/626200918.db2.gz ZKJSHMNAELDDAY-DCAQKATOSA-N 0 0 305.340 3.469 20 10 DGCDRN C[C@H]1CCC[C@H]1CNC(=O)NCCCSc1nccs1 ZINC000798437524 626218093 /nfs/dbraw/zinc/21/80/93/626218093.db2.gz JPLPTNBBEDUNRK-RYUDHWBXSA-N 0 0 313.492 3.361 20 10 DGCDRN CN1C(=O)COc2cc(NCc3c(O)cccc3Cl)ccc21 ZINC000798503940 626222211 /nfs/dbraw/zinc/22/22/11/626222211.db2.gz QVSQOEYJGGEPJO-UHFFFAOYSA-N 0 0 318.760 3.013 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CC=CCC2)c1 ZINC000103611363 626245440 /nfs/dbraw/zinc/24/54/40/626245440.db2.gz KFNMDKFDFRGFOU-CHWSQXEVSA-N 0 0 304.390 3.117 20 10 DGCDRN CN(C)Cc1cc(NC(=O)C2=CC(=O)CS2)ccc1Cl ZINC000799186826 626278547 /nfs/dbraw/zinc/27/85/47/626278547.db2.gz HLIVZIFRVSDEIN-UHFFFAOYSA-N 0 0 310.806 3.421 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)cc1F ZINC000800331570 626352042 /nfs/dbraw/zinc/35/20/42/626352042.db2.gz YNSSFUHJAUJNCN-OGHNNQOOSA-N 0 0 322.424 3.102 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCC(F)(F)C2)c1 ZINC000800519786 626365928 /nfs/dbraw/zinc/36/59/28/626365928.db2.gz VNNNTAZDOCPPBC-QWRGUYRKSA-N 0 0 313.344 3.404 20 10 DGCDRN COc1ccc(O)c(CNc2cc(OC)cc(OC)c2C)c1 ZINC000800529351 626366448 /nfs/dbraw/zinc/36/64/48/626366448.db2.gz KMEUJVOCCPKHEC-UHFFFAOYSA-N 0 0 303.358 3.339 20 10 DGCDRN Cc1ccc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)cn1 ZINC000839915370 626370033 /nfs/dbraw/zinc/37/00/33/626370033.db2.gz DVIOWCJGGYLDQN-OAHLLOKOSA-N 0 0 311.429 3.125 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCC1CCC(F)(F)CC1 ZINC000800640565 626370170 /nfs/dbraw/zinc/37/01/70/626370170.db2.gz GWYLPDKHFYQFNC-DUXPYHPUSA-N 0 0 311.328 3.053 20 10 DGCDRN C/C(=C\C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)C1CC1 ZINC000839917829 626370936 /nfs/dbraw/zinc/37/09/36/626370936.db2.gz ICGHWDMQKCCGML-GOFCXVBSSA-N 0 0 300.446 3.465 20 10 DGCDRN Cc1cncc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000839918059 626371354 /nfs/dbraw/zinc/37/13/54/626371354.db2.gz JCEWJMGSSDAOHJ-HNNXBMFYSA-N 0 0 311.429 3.125 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CCn1cccc1 ZINC000839919910 626373379 /nfs/dbraw/zinc/37/33/79/626373379.db2.gz WWMUHRHGKGYUNZ-INIZCTEOSA-N 0 0 313.445 3.000 20 10 DGCDRN COCCC(C)(C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839920806 626373649 /nfs/dbraw/zinc/37/36/49/626373649.db2.gz UMIQHRULTCESIC-HNNXBMFYSA-N 0 0 320.477 3.171 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H](C)C(C)(F)F ZINC000839920666 626373799 /nfs/dbraw/zinc/37/37/99/626373799.db2.gz COTBCDQIYVUGMH-OLZOCXBDSA-N 0 0 312.404 3.400 20 10 DGCDRN Cc1c(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)ccn1C ZINC000839921839 626374046 /nfs/dbraw/zinc/37/40/46/626374046.db2.gz NNJOQKKAAMBKJN-CQSZACIVSA-N 0 0 313.445 3.069 20 10 DGCDRN COc1cc(CN2CCOc3cccc(F)c3C2)c(O)cc1C ZINC000800855817 626379810 /nfs/dbraw/zinc/37/98/10/626379810.db2.gz OJQVKCKDKLEIQQ-UHFFFAOYSA-N 0 0 317.360 3.243 20 10 DGCDRN Cn1ncc2c1ncnc2Sc1ncc(C(C)(C)C)s1 ZINC000800860489 626380092 /nfs/dbraw/zinc/38/00/92/626380092.db2.gz PIRRUXRZOPGWTD-UHFFFAOYSA-N 0 0 305.432 3.269 20 10 DGCDRN O=C(/C=C\c1cnc2ccccc2n1)N1CCc2cc(F)ccc21 ZINC000801076810 626393250 /nfs/dbraw/zinc/39/32/50/626393250.db2.gz RSSHLRODXQLILY-VURMDHGXSA-N 0 0 319.339 3.371 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cc(OC)ccn1 ZINC000801545209 626409279 /nfs/dbraw/zinc/40/92/79/626409279.db2.gz KBODSDAZRBBWOK-UHFFFAOYSA-N 0 0 314.385 3.238 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cccc2n[nH]nc21 ZINC000801551786 626409539 /nfs/dbraw/zinc/40/95/39/626409539.db2.gz SJOGBYFUACBBBO-UHFFFAOYSA-N 0 0 324.384 3.106 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1c[nH]c(=O)cc1C ZINC000801551968 626409639 /nfs/dbraw/zinc/40/96/39/626409639.db2.gz VNDUEBIBCXRRDB-UHFFFAOYSA-N 0 0 314.385 3.244 20 10 DGCDRN CO[C@H](COC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC000801848955 626421457 /nfs/dbraw/zinc/42/14/57/626421457.db2.gz DZYNCZYPYZCPER-SECOEOQKSA-N 0 0 314.337 3.042 20 10 DGCDRN COC(=O)COc1ccc(N(C)CCSC(C)(C)C)cc1 ZINC000801938659 626426876 /nfs/dbraw/zinc/42/68/76/626426876.db2.gz KRBOOGGXHBLUHU-UHFFFAOYSA-N 0 0 311.447 3.206 20 10 DGCDRN Cc1nc2c(cccc2C(=O)N[C@H](C)c2ccc(N(C)C)cc2)[nH]1 ZINC000801953589 626428132 /nfs/dbraw/zinc/42/81/32/626428132.db2.gz RLYLEQUVTTVAML-GFCCVEGCSA-N 0 0 322.412 3.428 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC=CO1 ZINC000802302937 626558530 /nfs/dbraw/zinc/55/85/30/626558530.db2.gz WLQDRUBNKKMPMW-INIZCTEOSA-N 0 0 318.417 3.397 20 10 DGCDRN O=C(NCc1ccsc1Br)C1=CC(=O)CS1 ZINC000802631756 626563777 /nfs/dbraw/zinc/56/37/77/626563777.db2.gz GSJNGMBHSOVUPI-UHFFFAOYSA-N 0 0 318.217 3.208 20 10 DGCDRN CCOc1ccc(CN2CCOc3cccc(F)c3C2)c(O)c1 ZINC000802656741 626565432 /nfs/dbraw/zinc/56/54/32/626565432.db2.gz TVUGTPKVKXCTEI-UHFFFAOYSA-N 0 0 317.360 3.325 20 10 DGCDRN Cc1cc(C(=O)OCc2cn[nH]c2)c(C)n1-c1ccc(F)cc1 ZINC000803221485 626598407 /nfs/dbraw/zinc/59/84/07/626598407.db2.gz CAIWHSUVTWAPHG-UHFFFAOYSA-N 0 0 313.332 3.313 20 10 DGCDRN C[C@@H]([NH2+]CC1(C)CC(F)(F)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000883256139 626626021 /nfs/dbraw/zinc/62/60/21/626626021.db2.gz PDGKUBLNVJSDMX-SECBINFHSA-N 0 0 300.305 3.386 20 10 DGCDRN COc1cccc(CNC(=O)[C@@H](C)c2c(F)cccc2F)c1O ZINC000131482749 626644127 /nfs/dbraw/zinc/64/41/27/626644127.db2.gz IOKITABRXCDSSH-JTQLQIEISA-N 0 0 321.323 3.099 20 10 DGCDRN CNC(=O)N(C)c1ccc(N[C@H]2CCc3cccc(O)c32)cc1 ZINC000883318078 626644681 /nfs/dbraw/zinc/64/46/81/626644681.db2.gz FHZBGPGKHHLVJN-HNNXBMFYSA-N 0 0 311.385 3.267 20 10 DGCDRN CO[C@H]1C[C@@H](N(C)C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000804303850 626667755 /nfs/dbraw/zinc/66/77/55/626667755.db2.gz GETFJBPRJXNHCU-OKILXGFUSA-N 0 0 318.442 3.405 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CC(=O)N(CC2CC2)C1)c1cccc(Cl)c1[O-] ZINC000883395905 626671750 /nfs/dbraw/zinc/67/17/50/626671750.db2.gz DTLDHCJUMLVPBZ-DOMZBBRYSA-N 0 0 322.836 3.097 20 10 DGCDRN COc1ccc(N(C)Cc2cn3cc(C)ccc3n2)c(OC)c1 ZINC000131826088 626682076 /nfs/dbraw/zinc/68/20/76/626682076.db2.gz LKKSAFAZIWJTML-UHFFFAOYSA-N 0 0 311.385 3.296 20 10 DGCDRN CSc1cccc(NCc2ccc(N3CCOCC3)cc2)n1 ZINC000804610862 626697721 /nfs/dbraw/zinc/69/77/21/626697721.db2.gz WCFHFSWWSLTURR-UHFFFAOYSA-N 0 0 315.442 3.252 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CCC[C@H]1C(=O)NC)c1cccc(Cl)c1[O-] ZINC000806150153 626702283 /nfs/dbraw/zinc/70/22/83/626702283.db2.gz MHIZBAIZENNQKA-KWCYVHTRSA-N 0 0 310.825 3.001 20 10 DGCDRN CC[C@H]([NH2+]CCN1CCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806148202 626702358 /nfs/dbraw/zinc/70/23/58/626702358.db2.gz DOBZXJHAKBFTBV-ZDUSSCGKSA-N 0 0 303.233 3.445 20 10 DGCDRN CC[C@@H]([NH2+]CCCNC(=O)C(C)C)c1cccc(Cl)c1[O-] ZINC000806148998 626702539 /nfs/dbraw/zinc/70/25/39/626702539.db2.gz NJSDAQLJGLLRPY-CQSZACIVSA-N 0 0 312.841 3.249 20 10 DGCDRN CC[C@H]([NH2+]Cc1cccn(CC)c1=O)c1cccc(Cl)c1[O-] ZINC000806163421 626703827 /nfs/dbraw/zinc/70/38/27/626703827.db2.gz QLOPDEOEBZYEGA-HNNXBMFYSA-N 0 0 320.820 3.468 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC(F)CC1 ZINC000883694925 626727599 /nfs/dbraw/zinc/72/75/99/626727599.db2.gz QJAXJONVZIWJKS-AWEZNQCLSA-N 0 0 321.440 3.136 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCC[C@@H]2CCCC2(F)F)c1 ZINC000883842552 626756448 /nfs/dbraw/zinc/75/64/48/626756448.db2.gz VJCOXJSLCHSORO-ZDUSSCGKSA-N 0 0 312.360 3.325 20 10 DGCDRN O=C1CCc2nc(NCc3ccc(N4CCCC4)cc3)ccc21 ZINC000807924999 626777956 /nfs/dbraw/zinc/77/79/56/626777956.db2.gz DADPXODRBZWIKG-UHFFFAOYSA-N 0 0 307.397 3.423 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C)ccc1C ZINC000808095361 626792407 /nfs/dbraw/zinc/79/24/07/626792407.db2.gz YTHXZFGPZPWEAQ-UHFFFAOYSA-N 0 0 304.386 3.425 20 10 DGCDRN CC(=O)C(=O)COC(=O)c1cc2sc3ccccc3c2s1 ZINC000808491716 626832043 /nfs/dbraw/zinc/83/20/43/626832043.db2.gz RJXWSJFVCIOHAP-UHFFFAOYSA-N 0 0 318.375 3.431 20 10 DGCDRN CCC(CC)(C(=O)OCC(=O)C(C)=O)c1ccc(Cl)cc1 ZINC000808512746 626834697 /nfs/dbraw/zinc/83/46/97/626834697.db2.gz OWRPYGOKDRHJBB-UHFFFAOYSA-N 0 0 310.777 3.099 20 10 DGCDRN O=C(NCc1ccccc1O)c1sccc1Br ZINC000133754622 626836431 /nfs/dbraw/zinc/83/64/31/626836431.db2.gz FZKWSVZHFQBUCQ-UHFFFAOYSA-N 0 0 312.188 3.146 20 10 DGCDRN C[C@H]([NH2+]Cc1cccc(Br)c1[O-])C1CCOCC1 ZINC000134478102 626878087 /nfs/dbraw/zinc/87/80/87/626878087.db2.gz XUUAHLHNQVNITD-JTQLQIEISA-N 0 0 314.223 3.059 20 10 DGCDRN Cc1ccc(N2C(=O)/C(=C\c3cnccn3)SC2=S)cc1 ZINC000809153611 626886887 /nfs/dbraw/zinc/88/68/87/626886887.db2.gz ZCFNMVRGRBORSG-MDWZMJQESA-N 0 0 313.407 3.191 20 10 DGCDRN Oc1ccc2oc3c(c2c1CN1CCO[C@H](CF)C1)CCCC3 ZINC000840172186 626907672 /nfs/dbraw/zinc/90/76/72/626907672.db2.gz NEBCRIKAAPXWST-GFCCVEGCSA-N 0 0 319.376 3.188 20 10 DGCDRN Cc1cc(C(=O)NN2CCCCC2)c(C)n1-c1ccc(F)cc1 ZINC000215839020 626910708 /nfs/dbraw/zinc/91/07/08/626910708.db2.gz UJMGXYYITYPBPQ-UHFFFAOYSA-N 0 0 315.392 3.364 20 10 DGCDRN CN(C)c1ccc(CN2CCCC[C@H]2c2cc[nH]n2)cc1F ZINC000809693385 626937244 /nfs/dbraw/zinc/93/72/44/626937244.db2.gz UZZRTOXBHLHTBT-KRWDZBQOSA-N 0 0 302.397 3.342 20 10 DGCDRN COc1cccc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)c1O ZINC000809739758 626943916 /nfs/dbraw/zinc/94/39/16/626943916.db2.gz DHMNLUDBEYEGRB-UHFFFAOYSA-N 0 0 311.740 3.189 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC[C@H](O)c1ccccc1 ZINC000809747721 626946004 /nfs/dbraw/zinc/94/60/04/626946004.db2.gz VAXGWSSALNZINC-AWEZNQCLSA-N 0 0 309.768 3.398 20 10 DGCDRN C[C@@H]1CN(Cc2cc(F)ccc2O)c2ccccc2N(C)C1=O ZINC000809785844 626952932 /nfs/dbraw/zinc/95/29/32/626952932.db2.gz DUNUCVBRKLRZQC-GFCCVEGCSA-N 0 0 314.360 3.150 20 10 DGCDRN COc1ccc(O)c(CN2CCCN(C)c3cc(F)ccc32)c1 ZINC000809785827 626953044 /nfs/dbraw/zinc/95/30/44/626953044.db2.gz DCPMSKQRTJCBTD-UHFFFAOYSA-N 0 0 316.376 3.386 20 10 DGCDRN CC(=O)N1CCCN(Cc2cc(F)ccc2O)c2ccccc21 ZINC000809786101 626953095 /nfs/dbraw/zinc/95/30/95/626953095.db2.gz OVAMHVZPIZHJFS-UHFFFAOYSA-N 0 0 314.360 3.295 20 10 DGCDRN CCC[C@]1(CO)CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000809790723 626954433 /nfs/dbraw/zinc/95/44/33/626954433.db2.gz LWKITRPYDAAOAR-HNNXBMFYSA-N 0 0 301.789 3.169 20 10 DGCDRN Cc1cc(-c2nnc(N(C)C3CC3)n2C)c(C)n1-c1ccccc1 ZINC000809867742 626957629 /nfs/dbraw/zinc/95/76/29/626957629.db2.gz SEIFTENDICMPHH-UHFFFAOYSA-N 0 0 321.428 3.488 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC(=O)CC[C@@H]1C ZINC000885095719 626976466 /nfs/dbraw/zinc/97/64/66/626976466.db2.gz SQBVSPAXVVUECS-NSHDSACASA-N 0 0 316.426 3.349 20 10 DGCDRN O=[N+]([O-])c1cnc(NCc2ccccc2O)c(Br)c1 ZINC000135763884 626978527 /nfs/dbraw/zinc/97/85/27/626978527.db2.gz JLJSXXJDIMXIHF-UHFFFAOYSA-N 0 0 324.134 3.070 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ccc2c(c1)C(C)(C)CO2 ZINC000810156539 626982582 /nfs/dbraw/zinc/98/25/82/626982582.db2.gz KTTVYJRLEYZCJT-UHFFFAOYSA-N 0 0 311.381 3.334 20 10 DGCDRN CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000810258098 626993949 /nfs/dbraw/zinc/99/39/49/626993949.db2.gz ZGLHEKYYMDNXRT-HRDYMLBCSA-N 0 0 320.202 3.368 20 10 DGCDRN CC[C@H](C[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-])OC ZINC000810260048 626994638 /nfs/dbraw/zinc/99/46/38/626994638.db2.gz CKHMHTCIEKPIBF-PSASIEDQSA-N 0 0 320.202 3.369 20 10 DGCDRN CC[C@H](C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])OC ZINC000810260728 626994939 /nfs/dbraw/zinc/99/49/39/626994939.db2.gz NMKOYKWIVSMHFN-DTWKUNHWSA-N 0 0 320.202 3.369 20 10 DGCDRN Cc1cc(NS(=O)(=O)c2ccc(C)c(Cl)c2)ccc1O ZINC000136488601 627092417 /nfs/dbraw/zinc/09/24/17/627092417.db2.gz MXAFSMXGOISMMM-UHFFFAOYSA-N 0 0 311.790 3.463 20 10 DGCDRN Cc1ccc(C)c(OCCC(=O)N(C)Cc2ccccc2O)c1 ZINC000136945266 627104527 /nfs/dbraw/zinc/10/45/27/627104527.db2.gz ONVFJQOIVSDUNO-UHFFFAOYSA-N 0 0 313.397 3.437 20 10 DGCDRN CN(C)c1cc(F)c(CNCc2cc(C3CC3)no2)cc1F ZINC000886268830 627128117 /nfs/dbraw/zinc/12/81/17/627128117.db2.gz CHMMKISMDULRRQ-UHFFFAOYSA-N 0 0 307.344 3.186 20 10 DGCDRN CCOc1cccc(CNc2cccc(OC)c2OC)c1O ZINC000886275805 627129214 /nfs/dbraw/zinc/12/92/14/627129214.db2.gz MRCNWQLDXIQXNF-UHFFFAOYSA-N 0 0 303.358 3.420 20 10 DGCDRN CCOc1ccc(CNc2cccc(OC)c2OC)c(O)c1 ZINC000886275551 627129257 /nfs/dbraw/zinc/12/92/57/627129257.db2.gz DJVAZPNFWWZSGB-UHFFFAOYSA-N 0 0 303.358 3.420 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1COc2ccccc2O1)c1c([O-])cccc1F ZINC000886489496 627152076 /nfs/dbraw/zinc/15/20/76/627152076.db2.gz KHYUXJLOAMIQGH-NEPJUHHUSA-N 0 0 303.333 3.022 20 10 DGCDRN CC(=O)Nc1ccc(CC[NH2+][C@H](C)c2c([O-])cccc2F)cc1 ZINC000886522432 627156944 /nfs/dbraw/zinc/15/69/44/627156944.db2.gz JCTWCCISTTXHSY-GFCCVEGCSA-N 0 0 316.376 3.383 20 10 DGCDRN Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886532918 627158164 /nfs/dbraw/zinc/15/81/64/627158164.db2.gz RAHGSIYKDTXRPN-JQWIXIFHSA-N 0 0 305.397 3.163 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1c([O-])cccc1F ZINC000886548183 627160916 /nfs/dbraw/zinc/16/09/16/627160916.db2.gz YMKGHYKICXWYNQ-PXAZEXFGSA-N 0 0 301.361 3.496 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1c([O-])cccc1F ZINC000886553894 627162595 /nfs/dbraw/zinc/16/25/95/627162595.db2.gz XRDBRDPSOHHGOL-HWWQOWPSSA-N 0 0 311.422 3.237 20 10 DGCDRN Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886561976 627163834 /nfs/dbraw/zinc/16/38/34/627163834.db2.gz NWQFBCXOPVQHCV-LBPRGKRZSA-N 0 0 305.397 3.165 20 10 DGCDRN C[C@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1c([O-])cccc1F ZINC000886594150 627169470 /nfs/dbraw/zinc/16/94/70/627169470.db2.gz GUPIRHGTPDOSEK-LBPRGKRZSA-N 0 0 314.360 3.353 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1c([O-])cccc1F ZINC000886603113 627170930 /nfs/dbraw/zinc/17/09/30/627170930.db2.gz HKHZKOXYYANVLT-WDEREUQCSA-N 0 0 312.385 3.095 20 10 DGCDRN CNC(=O)C[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1ccccc1 ZINC000886605044 627171567 /nfs/dbraw/zinc/17/15/67/627171567.db2.gz IMSYXFMRRGDFEJ-SWLSCSKDSA-N 0 0 316.376 3.059 20 10 DGCDRN C[C@@H](NCc1nccc(C(F)(F)F)n1)c1c(O)cccc1F ZINC000886625305 627176198 /nfs/dbraw/zinc/17/61/98/627176198.db2.gz NEWHYVQJSKBNFM-MRVPVSSYSA-N 0 0 315.270 3.191 20 10 DGCDRN C[C@@H]([NH2+][C@@H](CCO)c1ccccc1F)c1c([O-])cccc1F ZINC000886630307 627176802 /nfs/dbraw/zinc/17/68/02/627176802.db2.gz ZNLQOIUMQPZPQV-ABAIWWIYSA-N 0 0 307.340 3.445 20 10 DGCDRN CC(=O)NCc1ccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)cc1 ZINC000886634529 627177059 /nfs/dbraw/zinc/17/70/59/627177059.db2.gz GPJVTGSWHGCBTN-LBPRGKRZSA-N 0 0 316.376 3.018 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1F)c1ccc(F)cc1[O-] ZINC000886674511 627187104 /nfs/dbraw/zinc/18/71/04/627187104.db2.gz MVCHDPFMDOFUMG-WMLDXEAASA-N 0 0 321.367 3.315 20 10 DGCDRN Cc1cc(O)c(CN2CCC(=O)Nc3cc(F)ccc32)cc1C ZINC000811508553 627283193 /nfs/dbraw/zinc/28/31/93/627283193.db2.gz WHZJRBVVRIOKJA-UHFFFAOYSA-N 0 0 314.360 3.497 20 10 DGCDRN CC[C@H](NCc1nonc1C)c1ccc(C(F)(F)F)cc1O ZINC000811506775 627283310 /nfs/dbraw/zinc/28/33/10/627283310.db2.gz FGQQHCGXZFEMHW-NSHDSACASA-N 0 0 315.295 3.343 20 10 DGCDRN c1ccc2c(c1)OCCCN2Cc1ccc(N2CCOCC2)cc1 ZINC000811508328 627283569 /nfs/dbraw/zinc/28/35/69/627283569.db2.gz MCEGIFJQSXSLPZ-UHFFFAOYSA-N 0 0 324.424 3.312 20 10 DGCDRN Cc1ccc2nc(C[NH2+]Cc3cc(Cl)cc(F)c3[O-])cn2c1 ZINC000811634384 627297205 /nfs/dbraw/zinc/29/72/05/627297205.db2.gz MWOGZKONQJXAGW-UHFFFAOYSA-N 0 0 319.767 3.431 20 10 DGCDRN Cc1cccc(NC(=S)NCc2ncccc2N(C)C)c1C ZINC000811709688 627309428 /nfs/dbraw/zinc/30/94/28/627309428.db2.gz GWEYZBWWDQEQOP-UHFFFAOYSA-N 0 0 314.458 3.251 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C2C[C@H]3CC[C@@H](C2)S3)cc1 ZINC000887767492 627321230 /nfs/dbraw/zinc/32/12/30/627321230.db2.gz MRAAFZPGSMLHRX-VHRNVKJDSA-N 0 0 304.459 3.043 20 10 DGCDRN COc1ccc(O)c(CNc2ccc([N+](=O)[O-])cc2C(C)=O)c1 ZINC000811805948 627323117 /nfs/dbraw/zinc/32/31/17/627323117.db2.gz GAKKRLDQLIQUDT-UHFFFAOYSA-N 0 0 316.313 3.124 20 10 DGCDRN Oc1ccc2c(c1CNc1cc(N3CCCC3)ncn1)CCCC2 ZINC000811809117 627323741 /nfs/dbraw/zinc/32/37/41/627323741.db2.gz YIDWHPOKDMHVMV-UHFFFAOYSA-N 0 0 324.428 3.273 20 10 DGCDRN Oc1ccc(CCNc2cncc(-c3ccccc3)n2)cc1O ZINC000811811098 627324479 /nfs/dbraw/zinc/32/44/79/627324479.db2.gz LHYXMOFSXGLHDR-UHFFFAOYSA-N 0 0 307.353 3.209 20 10 DGCDRN COC[C@@H](C)[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000812461123 627389415 /nfs/dbraw/zinc/38/94/15/627389415.db2.gz HQNCZOABJGSDDG-CABCVRRESA-N 0 0 318.461 3.162 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)CCCC3CC3)CC2)cc1 ZINC000812477867 627390603 /nfs/dbraw/zinc/39/06/03/627390603.db2.gz FMKFGIDJHSAYSE-UHFFFAOYSA-N 0 0 316.445 3.314 20 10 DGCDRN CCC1(C)CN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000812483056 627391259 /nfs/dbraw/zinc/39/12/59/627391259.db2.gz CKULAPBGNDIHIR-VURMDHGXSA-N 0 0 304.346 3.017 20 10 DGCDRN CC(C)[N@H+](Cc1cccc(Br)c1[O-])[C@@H]1CCOC1 ZINC000812776762 627418999 /nfs/dbraw/zinc/41/89/99/627418999.db2.gz ONXXSQLHWUBWIG-GFCCVEGCSA-N 0 0 314.223 3.154 20 10 DGCDRN CC(C)n1cc(Cl)c(NC(=O)N(C)Cc2ccccc2O)n1 ZINC000889537599 627434279 /nfs/dbraw/zinc/43/42/79/627434279.db2.gz HGALYQZLOFXYLP-UHFFFAOYSA-N 0 0 322.796 3.487 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCCCC(=O)C2)c1 ZINC000813489252 627493931 /nfs/dbraw/zinc/49/39/31/627493931.db2.gz UCNVTBKZULUWMO-STQMWFEESA-N 0 0 319.401 3.118 20 10 DGCDRN CC(C)(C)C[C@@H](O)CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000813490563 627493964 /nfs/dbraw/zinc/49/39/64/627493964.db2.gz LDQBOKRXIVDRCT-AWEZNQCLSA-N 0 0 319.445 3.074 20 10 DGCDRN C[C@@H](NC(=O)[C@H]1CCCCCC(=O)C1)c1ccc(N(C)C)cc1 ZINC000813524615 627496070 /nfs/dbraw/zinc/49/60/70/627496070.db2.gz DTHPTQUEUPWJCZ-ZBFHGGJFSA-N 0 0 316.445 3.469 20 10 DGCDRN CC[C@@H]1CCN1C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000813634934 627505141 /nfs/dbraw/zinc/50/51/41/627505141.db2.gz XBMPROXEVRVJLL-CQSZACIVSA-N 0 0 307.413 3.366 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1C[C@H]1c1ccco1 ZINC000840299978 627515272 /nfs/dbraw/zinc/51/52/72/627515272.db2.gz BLTCQBSKQNMLMM-HZPDHXFCSA-N 0 0 313.401 3.009 20 10 DGCDRN c1nc([C@@H](NCc2ccc3c(c2)CCO3)C2CCCCC2)n[nH]1 ZINC000813857495 627516173 /nfs/dbraw/zinc/51/61/73/627516173.db2.gz VSCFXQSMXBURJP-KRWDZBQOSA-N 0 0 312.417 3.151 20 10 DGCDRN COc1cccc2c1[C@H](C(=O)NCc1ccc(N(C)C)cc1)CC2 ZINC000814254717 627554341 /nfs/dbraw/zinc/55/43/41/627554341.db2.gz FJXWFXFHUKCHIR-QGZVFWFLSA-N 0 0 324.424 3.107 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2c(Cl)cncc2Cl)cc1 ZINC000814255138 627554616 /nfs/dbraw/zinc/55/46/16/627554616.db2.gz XTHWIXYPTTYKJV-UHFFFAOYSA-N 0 0 324.211 3.384 20 10 DGCDRN COc1ccc(CNc2nc3ccc(F)cc3n2C)c(O)c1 ZINC000814260130 627555465 /nfs/dbraw/zinc/55/54/65/627555465.db2.gz HNHLKSPZCCYAIV-UHFFFAOYSA-N 0 0 301.321 3.039 20 10 DGCDRN CCc1ccccc1NC(=S)NNc1cccc([N+](=O)[O-])c1 ZINC000007351586 627569988 /nfs/dbraw/zinc/56/99/88/627569988.db2.gz ZGMFKYYLHLMIHV-UHFFFAOYSA-N 0 0 316.386 3.471 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1nnc(C(C)(C)C)[nH]1 ZINC000814618252 627580036 /nfs/dbraw/zinc/58/00/36/627580036.db2.gz YXVURTLUMKJWKX-UHFFFAOYSA-N 0 0 300.406 3.064 20 10 DGCDRN COc1ccc2c(c1)CCCN2C[C@@H](O)Cc1ccc(F)cc1 ZINC000815014007 627617090 /nfs/dbraw/zinc/61/70/90/627617090.db2.gz UGBUHKQHTRQATL-KRWDZBQOSA-N 0 0 315.388 3.191 20 10 DGCDRN CN(C[C@@H](O)c1cc2ccccc2o1)c1ccc2c(c1)OCO2 ZINC000815075972 627622685 /nfs/dbraw/zinc/62/26/85/627622685.db2.gz RALKZJYXPCIJGV-CQSZACIVSA-N 0 0 311.337 3.331 20 10 DGCDRN CCN(C)c1ccc(CN2CCC[C@@H]2c2nc(C)no2)cc1 ZINC000815117737 627629047 /nfs/dbraw/zinc/62/90/47/627629047.db2.gz UIXUJYVWIMNSDV-MRXNPFEDSA-N 0 0 300.406 3.171 20 10 DGCDRN C[C@H]([NH2+]Cc1cccc(Br)c1[O-])c1cc[nH]c(=O)c1 ZINC000815148531 627637193 /nfs/dbraw/zinc/63/71/93/627637193.db2.gz YTROBOGTFBAUST-VIFPVBQESA-N 0 0 323.190 3.106 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H](CO)C1CCCCC1 ZINC000815150749 627638245 /nfs/dbraw/zinc/63/82/45/627638245.db2.gz NCIABQYDYLJPNE-GFCCVEGCSA-N 0 0 315.816 3.463 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCCN(C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815563997 627685700 /nfs/dbraw/zinc/68/57/00/627685700.db2.gz UPOZNXXKNZXANP-QWRGUYRKSA-N 0 0 302.340 3.156 20 10 DGCDRN Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCN1CCC1 ZINC000815598262 627689754 /nfs/dbraw/zinc/68/97/54/627689754.db2.gz QGDJVXBYZSFRKU-LJQANCHMSA-N 0 0 310.441 3.361 20 10 DGCDRN COCC[C@H](COC)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815628381 627692904 /nfs/dbraw/zinc/69/29/04/627692904.db2.gz YTFNWZYARAJNES-GHMZBOCLSA-N 0 0 321.339 3.113 20 10 DGCDRN CCOC1(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])CCCC1 ZINC000815644826 627694289 /nfs/dbraw/zinc/69/42/89/627694289.db2.gz NBFQFPFNBGDIST-ZDUSSCGKSA-N 0 0 321.417 3.179 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000815648714 627694862 /nfs/dbraw/zinc/69/48/62/627694862.db2.gz UONAJKBKEHYNHE-OCCSQVGLSA-N 0 0 322.405 3.140 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1cn(C(C)C)nn1 ZINC000925080673 627706628 /nfs/dbraw/zinc/70/66/28/627706628.db2.gz NZKCECMXZOFSFN-AWEZNQCLSA-N 0 0 301.438 3.084 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2ccc(C(C)(F)F)cc2)c1 ZINC000815835438 627706783 /nfs/dbraw/zinc/70/67/83/627706783.db2.gz UGCJTZPSOGXNHX-UHFFFAOYSA-N 0 0 321.323 3.443 20 10 DGCDRN O=C(Cc1c[nH]c2cccc(Cl)c12)NCc1ccccc1O ZINC000815833342 627706979 /nfs/dbraw/zinc/70/69/79/627706979.db2.gz JBSAYKHCRYFDKC-UHFFFAOYSA-N 0 0 314.772 3.386 20 10 DGCDRN C[C@H]1CCCCN1CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816535346 627802947 /nfs/dbraw/zinc/80/29/47/627802947.db2.gz MLODQSGOXZPNKL-NSHDSACASA-N 0 0 300.805 3.149 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCN1Cc2ccccc2C1 ZINC000816533468 627803167 /nfs/dbraw/zinc/80/31/67/627803167.db2.gz XNVRAVZXSPNSQN-UHFFFAOYSA-N 0 0 320.795 3.290 20 10 DGCDRN C[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])N1CCC[C@@H](C)C1 ZINC000816535589 627804114 /nfs/dbraw/zinc/80/41/14/627804114.db2.gz UERVCOSLMZZDCS-VXGBXAGGSA-N 0 0 314.832 3.395 20 10 DGCDRN C[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])N1CCC(C)CC1 ZINC000816543905 627805073 /nfs/dbraw/zinc/80/50/73/627805073.db2.gz RHZMTWMMPXDTLH-GFCCVEGCSA-N 0 0 314.832 3.395 20 10 DGCDRN CC(C)(C)OC(=O)CCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816554093 627806743 /nfs/dbraw/zinc/80/67/43/627806743.db2.gz OMYUKIRIYHHKTC-UHFFFAOYSA-N 0 0 317.788 3.396 20 10 DGCDRN C[C@]1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCCC[C@H]1O ZINC000816555869 627806868 /nfs/dbraw/zinc/80/68/68/627806868.db2.gz SCPRMSNQFSFDJC-HUUCEWRRSA-N 0 0 301.789 3.216 20 10 DGCDRN Cc1cccc([C@@H](O)C[NH2+]Cc2cc(Cl)c(F)cc2[O-])c1 ZINC000816556608 627807378 /nfs/dbraw/zinc/80/73/78/627807378.db2.gz OMRNXLOWWZUPHS-INIZCTEOSA-N 0 0 309.768 3.316 20 10 DGCDRN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@@H]1CCCC[C@H]1O ZINC000816564438 627808611 /nfs/dbraw/zinc/80/86/11/627808611.db2.gz GFKFHRYIXDOZEO-IINYFYTJSA-N 0 0 301.789 3.168 20 10 DGCDRN C[C@@]1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCO[C@H]1C1CC1 ZINC000816570773 627809936 /nfs/dbraw/zinc/80/99/36/627809936.db2.gz HDYWWVKFYIQLJU-HOTGVXAUSA-N 0 0 313.800 3.480 20 10 DGCDRN Cn1nc2c(c1C[NH2+]Cc1cc(Cl)c(F)cc1[O-])CCCC2 ZINC000816616412 627815489 /nfs/dbraw/zinc/81/54/89/627815489.db2.gz VZJLEUNICQUEQL-UHFFFAOYSA-N 0 0 323.799 3.087 20 10 DGCDRN CCCCN(C)C[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816614095 627815672 /nfs/dbraw/zinc/81/56/72/627815672.db2.gz MWSMQZUHBNSBKC-NSHDSACASA-N 0 0 302.821 3.395 20 10 DGCDRN CC[C@@H]1C[N@H+](C)CCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000816660880 627821590 /nfs/dbraw/zinc/82/15/90/627821590.db2.gz SQIAQIMMJWCSNA-GFCCVEGCSA-N 0 0 303.233 3.225 20 10 DGCDRN CC(C)[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])CCCO1 ZINC000816674776 627823176 /nfs/dbraw/zinc/82/31/76/627823176.db2.gz KKFSXZACHZVAKV-CQSZACIVSA-N 0 0 301.789 3.432 20 10 DGCDRN COc1ccc(O)c(CN2Cc3cnn(-c4ccccc4)c3C2)c1 ZINC000816668365 627823317 /nfs/dbraw/zinc/82/33/17/627823317.db2.gz MMRRUOHBJAVLOG-UHFFFAOYSA-N 0 0 321.380 3.102 20 10 DGCDRN Nc1ccc(NC(=O)N2CCC[C@H](Cc3nccs3)C2)cc1 ZINC000926143329 627850729 /nfs/dbraw/zinc/85/07/29/627850729.db2.gz OFEIWHLCBMMOKY-GFCCVEGCSA-N 0 0 316.430 3.212 20 10 DGCDRN Oc1ccc(CCNc2nc(C3CCCC3)ns2)cc1O ZINC000817121001 627857620 /nfs/dbraw/zinc/85/76/20/627857620.db2.gz SWLXZAPDLOYIEL-UHFFFAOYSA-N 0 0 305.403 3.262 20 10 DGCDRN CC[C@H]1CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000817126383 627858064 /nfs/dbraw/zinc/85/80/64/627858064.db2.gz ZUMOSLXRECOCGF-RYUDHWBXSA-N 0 0 324.377 3.006 20 10 DGCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2CC[C@@H]1CCOC1=O ZINC000817299133 627879615 /nfs/dbraw/zinc/87/96/15/627879615.db2.gz VNKPZOOUJICHIT-ZBFHGGJFSA-N 0 0 317.429 3.283 20 10 DGCDRN C[C@H]1C[C@H](CO)C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000817412540 627896139 /nfs/dbraw/zinc/89/61/39/627896139.db2.gz MJWQCBXQVVECKO-UWVGGRQHSA-N 0 0 304.217 3.149 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCCC1(O)CCC1 ZINC000817414134 627896456 /nfs/dbraw/zinc/89/64/56/627896456.db2.gz GFRATPDKMHJUJU-UHFFFAOYSA-N 0 0 304.217 3.484 20 10 DGCDRN c1csc(SCc2ccc(CN3CCOCC3)cc2)n1 ZINC000817582306 627925224 /nfs/dbraw/zinc/92/52/24/627925224.db2.gz XNCAEKFFXGZFLF-UHFFFAOYSA-N 0 0 306.456 3.268 20 10 DGCDRN CON1CCC([NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000817588666 627927602 /nfs/dbraw/zinc/92/76/02/627927602.db2.gz QUWPDJSPNNPKAG-VIFPVBQESA-N 0 0 319.232 3.375 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1C[C@H]1C(F)(F)F ZINC000926701134 627936306 /nfs/dbraw/zinc/93/63/06/627936306.db2.gz LAGGWVBKXASUTA-OIBJUYFYSA-N 0 0 322.714 3.043 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1F ZINC000817881422 627952573 /nfs/dbraw/zinc/95/25/73/627952573.db2.gz RRPAVWBKWIJEAY-DZGCQCFKSA-N 0 0 322.424 3.357 20 10 DGCDRN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000817881454 627952826 /nfs/dbraw/zinc/95/28/26/627952826.db2.gz TZDDHBDMMOUCED-NVXWUHKLSA-N 0 0 316.445 3.362 20 10 DGCDRN CCC[C@@H](C)NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817903398 627957337 /nfs/dbraw/zinc/95/73/37/627957337.db2.gz BPKQBVXBLZDVGC-LLVKDONJSA-N 0 0 303.431 3.235 20 10 DGCDRN CC[C@H](C)[C@H](C)NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817923521 627962111 /nfs/dbraw/zinc/96/21/11/627962111.db2.gz LFCWLLCZTMMHKN-RYUDHWBXSA-N 0 0 317.458 3.481 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1CCCCN1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817949373 627971415 /nfs/dbraw/zinc/97/14/15/627971415.db2.gz JWVDKHVQLMCGHJ-ZJUUUORDSA-N 0 0 303.233 3.492 20 10 DGCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc3c(c2)CCN3)c1 ZINC000817950661 627972469 /nfs/dbraw/zinc/97/24/69/627972469.db2.gz WAPMCLWPRJZNDO-LLVKDONJSA-N 0 0 312.369 3.320 20 10 DGCDRN CC[C@@H]([NH2+][C@H](CN)C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817961229 627976307 /nfs/dbraw/zinc/97/63/07/627976307.db2.gz VOKZYOFCBJWJSA-VXGBXAGGSA-N 0 0 303.233 3.477 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1ccc(F)cc1[O-] ZINC000817975042 627981168 /nfs/dbraw/zinc/98/11/68/627981168.db2.gz QELIMCMMCJZYIW-ROUUACIJSA-N 0 0 314.404 3.459 20 10 DGCDRN C[C@@H]([NH2+]CCc1nc2c(s1)CCC2)c1ccc(F)cc1[O-] ZINC000926931709 627983931 /nfs/dbraw/zinc/98/39/31/627983931.db2.gz QZTOZDRXEUFCJR-SNVBAGLBSA-N 0 0 306.406 3.370 20 10 DGCDRN CCc1noc([C@@H]2CC[C@H]([NH2+][C@H](C)c3ccc(F)cc3[O-])C2)n1 ZINC000927054131 628002912 /nfs/dbraw/zinc/00/29/12/628002912.db2.gz USHVZNAZUFWTHT-WZRBSPASSA-N 0 0 319.380 3.464 20 10 DGCDRN CCc1noc([C@@H]2CC[C@@H]([NH2+][C@@H](C)c3ccc(F)cc3[O-])C2)n1 ZINC000927054128 628003033 /nfs/dbraw/zinc/00/30/33/628003033.db2.gz USHVZNAZUFWTHT-DMDPSCGWSA-N 0 0 319.380 3.464 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CC12CC2)c1cc(Br)c(F)cc1[O-] ZINC000818357164 628017696 /nfs/dbraw/zinc/01/76/96/628017696.db2.gz VUVFASOGPJOLQD-JMCQJSRRSA-N 0 0 300.171 3.497 20 10 DGCDRN COc1ccc(O)c([C@H](C)Nc2ccc(COCCO)cc2)c1 ZINC000818362609 628019054 /nfs/dbraw/zinc/01/90/54/628019054.db2.gz YKLNRXKJXWIGDU-ZDUSSCGKSA-N 0 0 317.385 3.083 20 10 DGCDRN C[C@@H](Nc1ccc(COCCO)cc1)c1cc(F)ccc1O ZINC000818362148 628019130 /nfs/dbraw/zinc/01/91/30/628019130.db2.gz QCVJBSGPSIKEBO-GFCCVEGCSA-N 0 0 305.349 3.213 20 10 DGCDRN C[C@@H]([NH2+][C@H]1c2ccccc2CC[C@H]1O)c1c([O-])cccc1F ZINC000927139269 628024526 /nfs/dbraw/zinc/02/45/26/628024526.db2.gz KGAYTMKXIXHUBP-ONUMYQOESA-N 0 0 301.361 3.230 20 10 DGCDRN C[C@@H](NC(=O)NC[C@H]1CCCC2(CCC2)O1)c1ccccc1O ZINC000927174631 628031745 /nfs/dbraw/zinc/03/17/45/628031745.db2.gz LGMITBJIZVZZQF-ZIAGYGMSSA-N 0 0 318.417 3.244 20 10 DGCDRN CC(C)c1ccc(N2C(=O)CN(Cc3ccccc3O)C2=O)cc1 ZINC000819009391 628076657 /nfs/dbraw/zinc/07/66/57/628076657.db2.gz MLLUNBQBNOFJMN-UHFFFAOYSA-N 0 0 324.380 3.484 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC2(C1)CCOC2 ZINC000819384972 628144752 /nfs/dbraw/zinc/14/47/52/628144752.db2.gz VCJUNYJCAHNVHS-UHFFFAOYSA-N 0 0 324.424 3.265 20 10 DGCDRN C[C@@H](CNc1ccc(Nc2ccccc2)cc1)S(C)(=O)=O ZINC000819396213 628147586 /nfs/dbraw/zinc/14/75/86/628147586.db2.gz ZUSUYYZPMWJWRZ-ZDUSSCGKSA-N 0 0 304.415 3.275 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)Nc1nnc(C2CC2)o1 ZINC000840383905 628153319 /nfs/dbraw/zinc/15/33/19/628153319.db2.gz AXZFVRDVGYORMY-LBPRGKRZSA-N 0 0 300.406 3.365 20 10 DGCDRN COCc1nsc(N[C@@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000840384188 628154063 /nfs/dbraw/zinc/15/40/63/628154063.db2.gz GACZFLDUXBVETA-LBPRGKRZSA-N 0 0 320.462 3.102 20 10 DGCDRN O[C@@H](CNc1ccccc1OCC(F)F)COc1ccccc1 ZINC000819460129 628158134 /nfs/dbraw/zinc/15/81/34/628158134.db2.gz FDXTZQYUMIMVJS-ZDUSSCGKSA-N 0 0 323.339 3.182 20 10 DGCDRN O[C@H](CNc1ccccc1OCC(F)F)COc1ccccc1 ZINC000819460128 628158465 /nfs/dbraw/zinc/15/84/65/628158465.db2.gz FDXTZQYUMIMVJS-CYBMUJFWSA-N 0 0 323.339 3.182 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)CC3CCCC3)C2)cc1 ZINC000819578484 628170858 /nfs/dbraw/zinc/17/08/58/628170858.db2.gz NBMALTXXBIHNNN-MRXNPFEDSA-N 0 0 316.445 3.218 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)CCC3CCC3)C2)cc1 ZINC000819585546 628171357 /nfs/dbraw/zinc/17/13/57/628171357.db2.gz YSZDBFJKJZKLRI-MRXNPFEDSA-N 0 0 316.445 3.218 20 10 DGCDRN CCC/C(C)=C/C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819583101 628171367 /nfs/dbraw/zinc/17/13/67/628171367.db2.gz SUUDJUQJZWHKAK-ASNKMWSDSA-N 0 0 316.445 3.384 20 10 DGCDRN CCC/C(C)=C/C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819583108 628171448 /nfs/dbraw/zinc/17/14/48/628171448.db2.gz SUUDJUQJZWHKAK-STTHAQSSSA-N 0 0 316.445 3.384 20 10 DGCDRN COc1ccc(CNC(=O)NC[C@@H]2CCC[C@H]2C2CC2)c(O)c1 ZINC000840392910 628177743 /nfs/dbraw/zinc/17/77/43/628177743.db2.gz QQMOMQGBCGOCQQ-BBRMVZONSA-N 0 0 318.417 3.026 20 10 DGCDRN COc1ccc(CNC(=O)NC[C@H]2CCC[C@H]2C2CC2)c(O)c1 ZINC000840392911 628177830 /nfs/dbraw/zinc/17/78/30/628177830.db2.gz QQMOMQGBCGOCQQ-CJNGLKHVSA-N 0 0 318.417 3.026 20 10 DGCDRN CC(C)c1ncc(Cl)c(C(=O)NCc2c(O)cccc2F)n1 ZINC000928712009 628180297 /nfs/dbraw/zinc/18/02/97/628180297.db2.gz NBHRPHHJTIANIQ-UHFFFAOYSA-N 0 0 323.755 3.028 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000928710251 628180325 /nfs/dbraw/zinc/18/03/25/628180325.db2.gz RGKMHVPTSSFTFE-ZIAGYGMSSA-N 0 0 317.335 3.480 20 10 DGCDRN CC(C)(C)c1ncc(C(=O)NCc2c(O)cccc2F)s1 ZINC000928712697 628180652 /nfs/dbraw/zinc/18/06/52/628180652.db2.gz WLLMEOFRPMFCDD-UHFFFAOYSA-N 0 0 308.378 3.215 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNc3nnc(C(C)C)o3)C2)cc1 ZINC000819935675 628201244 /nfs/dbraw/zinc/20/12/44/628201244.db2.gz SGXKNIJPYSUAQC-ZDUSSCGKSA-N 0 0 316.405 3.140 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNc3cc(C)nc(C)n3)C2)cc1 ZINC000819934947 628201371 /nfs/dbraw/zinc/20/13/71/628201371.db2.gz IYLRYUOPFMKEDP-HNNXBMFYSA-N 0 0 312.417 3.040 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccn2cc(C)nc2c1 ZINC000820880045 628308157 /nfs/dbraw/zinc/30/81/57/628308157.db2.gz WTVARJXDXDENDY-UHFFFAOYSA-N 0 0 323.396 3.401 20 10 DGCDRN CO[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1CCC1 ZINC000821033273 628328773 /nfs/dbraw/zinc/32/87/73/628328773.db2.gz NUNNAZRCNSZSQH-GOSISDBHSA-N 0 0 316.445 3.059 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)N[C@H]2CC2(C)C)C2CC2)cc1 ZINC000840411139 628341138 /nfs/dbraw/zinc/34/11/38/628341138.db2.gz UDTYGJDMZNOQTB-INIZCTEOSA-N 0 0 301.434 3.225 20 10 DGCDRN CCCCCCO[C@@H](C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000840415751 628343240 /nfs/dbraw/zinc/34/32/40/628343240.db2.gz HVJXUUWVQUVINZ-KBPBESRZSA-N 0 0 323.433 3.130 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CS[C@H](C)C1 ZINC000840417348 628343786 /nfs/dbraw/zinc/34/37/86/628343786.db2.gz IBPMHDXUQBOFIH-OCCSQVGLSA-N 0 0 308.447 3.208 20 10 DGCDRN Cc1cc(C(=O)O[C@@H](C)CC(C)(C)O)c(C)n1-c1ccccn1 ZINC000821592174 628386201 /nfs/dbraw/zinc/38/62/01/628386201.db2.gz WSFIYWREXGZCTR-ZDUSSCGKSA-N 0 0 316.401 3.195 20 10 DGCDRN CNc1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000822083079 628420696 /nfs/dbraw/zinc/42/06/96/628420696.db2.gz SAYJFIKRMCTCFU-GFCCVEGCSA-N 0 0 315.392 3.424 20 10 DGCDRN CSCCCCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000822087826 628421035 /nfs/dbraw/zinc/42/10/35/628421035.db2.gz SAWGTLSCJCUWQS-UHFFFAOYSA-N 0 0 308.407 3.112 20 10 DGCDRN CCOC(=O)CN(Cc1cccs1)Cc1ccccc1O ZINC000822511500 628459250 /nfs/dbraw/zinc/45/92/50/628459250.db2.gz GQLBQTURIQJZPA-UHFFFAOYSA-N 0 0 305.399 3.019 20 10 DGCDRN CCOC(=O)CN(Cc1ccc(CC)o1)Cc1ccccc1O ZINC000822511295 628459282 /nfs/dbraw/zinc/45/92/82/628459282.db2.gz BFKWHVGCSWPYQU-UHFFFAOYSA-N 0 0 317.385 3.113 20 10 DGCDRN [O-]c1c(F)cccc1C[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000822525356 628461402 /nfs/dbraw/zinc/46/14/02/628461402.db2.gz FGLPKDFABOJFCR-HZPDHXFCSA-N 0 0 321.779 3.493 20 10 DGCDRN CC/C(C)=C\C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000822586340 628468212 /nfs/dbraw/zinc/46/82/12/628468212.db2.gz NSKAWEVKEQQPCB-OWBHPGMISA-N 0 0 304.459 3.212 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C[C@@H](C)[C@H]2CCCO2)cc1 ZINC000822608832 628470457 /nfs/dbraw/zinc/47/04/57/628470457.db2.gz YNVCLGTVEADRSP-CRAIPNDOSA-N 0 0 318.461 3.354 20 10 DGCDRN CC/C(C)=C/C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000822656071 628475340 /nfs/dbraw/zinc/47/53/40/628475340.db2.gz KBQLSENOYVDQLD-CCEZHUSRSA-N 0 0 302.418 3.090 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1C[C@H]1C1CCC1 ZINC000822717560 628483620 /nfs/dbraw/zinc/48/36/20/628483620.db2.gz KXUXSLGLSCDAQL-ZWKOTPCHSA-N 0 0 313.445 3.275 20 10 DGCDRN CCCCC[C@@H](O)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000822819680 628498812 /nfs/dbraw/zinc/49/88/12/628498812.db2.gz XZFQSULCCXOCSB-GOSISDBHSA-N 0 0 318.461 3.234 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cc1cscn1 ZINC000822898079 628507195 /nfs/dbraw/zinc/50/71/95/628507195.db2.gz HYYLJTAOAPYZNQ-UHFFFAOYSA-N 0 0 317.458 3.189 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCCCC2(F)F)cc1 ZINC000823243232 628541348 /nfs/dbraw/zinc/54/13/48/628541348.db2.gz UDAPGWFYRORENR-NSHDSACASA-N 0 0 324.331 3.404 20 10 DGCDRN Cc1ncccc1/C=C/C(=O)NCCCSc1nccs1 ZINC000823297277 628547672 /nfs/dbraw/zinc/54/76/72/628547672.db2.gz AQYNEHRXANGNKZ-AATRIKPKSA-N 0 0 319.455 3.158 20 10 DGCDRN CCn1cc(N(CC(C)C)C(=O)/C(C)=C/c2cccnc2)cn1 ZINC000823426806 628560173 /nfs/dbraw/zinc/56/01/73/628560173.db2.gz WWYJNORFIFFUDQ-OQLLNIDSSA-N 0 0 312.417 3.391 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1C[C@H]1C1CCC1)c1ccc(N(C)C)cc1 ZINC000823482829 628567274 /nfs/dbraw/zinc/56/72/74/628567274.db2.gz YWOFXGOFTBAVMZ-OAUYIBNBSA-N 0 0 301.434 3.301 20 10 DGCDRN CCOC(=O)CN(CCc1cccs1)Cc1ccccc1O ZINC000823581511 628576568 /nfs/dbraw/zinc/57/65/68/628576568.db2.gz LGUWKBBCWPQDDK-UHFFFAOYSA-N 0 0 319.426 3.062 20 10 DGCDRN C[C@@H]1Cc2cccc(C(=O)N(C)Cc3ccc(N(C)C)cc3)c2O1 ZINC000823709401 628588813 /nfs/dbraw/zinc/58/88/13/628588813.db2.gz QXEAYWKRAMEZCR-CQSZACIVSA-N 0 0 324.424 3.348 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCOC1(C)C ZINC000823750403 628593659 /nfs/dbraw/zinc/59/36/59/628593659.db2.gz ORKQLYCSAKLIQF-HNNXBMFYSA-N 0 0 320.433 3.129 20 10 DGCDRN CCOc1ccc(N(C)Cc2cccc(S(C)(=O)=O)c2)cc1 ZINC000824130826 628629803 /nfs/dbraw/zinc/62/98/03/628629803.db2.gz LDSRYSXJPAPLIG-UHFFFAOYSA-N 0 0 319.426 3.125 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](OC)C1CCCC1 ZINC000824234311 628641148 /nfs/dbraw/zinc/64/11/48/628641148.db2.gz HWTUODSSJXMRLC-GOSISDBHSA-N 0 0 318.461 3.306 20 10 DGCDRN CO[C@H]1CC[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)C1 ZINC000824262415 628645280 /nfs/dbraw/zinc/64/52/80/628645280.db2.gz XJGWJMOQZPFTJS-WMZOPIPTSA-N 0 0 316.445 3.108 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000824544257 628668888 /nfs/dbraw/zinc/66/88/88/628668888.db2.gz FSQFWWSPSOZSRQ-SGMGOOAPSA-N 0 0 300.362 3.015 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)CC(C)C ZINC000840488272 628669073 /nfs/dbraw/zinc/66/90/73/628669073.db2.gz KYVDGIHTEQNRFH-HNNXBMFYSA-N 0 0 305.466 3.289 20 10 DGCDRN COc1cc(CN(C)Cc2cnccn2)c(O)c(C(C)(C)C)c1 ZINC000824632623 628678689 /nfs/dbraw/zinc/67/86/89/628678689.db2.gz NRHDYTYWSSPZOU-UHFFFAOYSA-N 0 0 315.417 3.120 20 10 DGCDRN C/C(=C\C(=O)NCc1ccc2c(c1)CCCN2C)c1ccco1 ZINC000824676228 628682231 /nfs/dbraw/zinc/68/22/31/628682231.db2.gz GJLPXXCGCKCORN-SDNWHVSQSA-N 0 0 310.397 3.382 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C(C)(C)CC(F)(F)F)cc1F ZINC000824669268 628682245 /nfs/dbraw/zinc/68/22/45/628682245.db2.gz HNDCXRAYESESRH-UHFFFAOYSA-N 0 0 320.330 3.487 20 10 DGCDRN Cc1cc(O)c(CN(CCCO)CC(F)(F)F)cc1Cl ZINC000824710564 628685748 /nfs/dbraw/zinc/68/57/48/628685748.db2.gz VZZIJBFIFIELRO-UHFFFAOYSA-N 0 0 311.731 3.101 20 10 DGCDRN Oc1cc(Br)ccc1CN(CC(F)F)C1CC1 ZINC000824761985 628690923 /nfs/dbraw/zinc/69/09/23/628690923.db2.gz MEUPHOCOLYDOKM-UHFFFAOYSA-N 0 0 306.150 3.384 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000824860170 628701225 /nfs/dbraw/zinc/70/12/25/628701225.db2.gz QSQOHCHYSKHLDS-BJWYYQGGSA-N 0 0 315.461 3.473 20 10 DGCDRN C[C@H]1CC(F)(F)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000824989754 628714519 /nfs/dbraw/zinc/71/45/19/628714519.db2.gz GLTYHWNTZQHTCH-VIFPVBQESA-N 0 0 310.304 3.109 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C2(Cc3ccc(F)cc3)CC2)c1 ZINC000825016957 628716771 /nfs/dbraw/zinc/71/67/71/628716771.db2.gz JYOGJBOIAFHFER-UHFFFAOYSA-N 0 0 316.332 3.304 20 10 DGCDRN C[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2[O-])c2nccn21 ZINC000825017679 628716772 /nfs/dbraw/zinc/71/67/72/628716772.db2.gz XDBWVJZTRWCUSP-SKDRFNHKSA-N 0 0 322.206 3.147 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825464029 628764092 /nfs/dbraw/zinc/76/40/92/628764092.db2.gz BJJXXGWNANFZLQ-SQWLQELKSA-N 0 0 319.449 3.182 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)C[C@]1(C)CC1(Cl)Cl ZINC000825481578 628765899 /nfs/dbraw/zinc/76/58/99/628765899.db2.gz NWWJFHVCPAOIKR-CYBMUJFWSA-N 0 0 302.201 3.325 20 10 DGCDRN CC[C@]1(C)CN(Cc2ccc(Br)cc2O)CCO1 ZINC000825634425 628779845 /nfs/dbraw/zinc/77/98/45/628779845.db2.gz NFURHNCILMFTQZ-CQSZACIVSA-N 0 0 314.223 3.156 20 10 DGCDRN COCC(C)(C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000825641588 628781007 /nfs/dbraw/zinc/78/10/07/628781007.db2.gz VMMGOUATWWFFRB-UHFFFAOYSA-N 0 0 314.429 3.178 20 10 DGCDRN C[C@H](CSCCF)[NH2+]Cc1cccc(Br)c1[O-] ZINC000825710337 628788372 /nfs/dbraw/zinc/78/83/72/628788372.db2.gz MFFZFIANNGHJQR-SECBINFHSA-N 0 0 322.243 3.336 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000825721071 628790369 /nfs/dbraw/zinc/79/03/69/628790369.db2.gz HFGCDAIEIQMIKN-BPQIPLTHSA-N 0 0 313.445 3.275 20 10 DGCDRN O=C([C@H]1CC1(F)F)N(Cc1ccco1)Cc1ccccc1O ZINC000825904625 628809134 /nfs/dbraw/zinc/80/91/34/628809134.db2.gz DBWAPRXEWXEFMX-CYBMUJFWSA-N 0 0 307.296 3.169 20 10 DGCDRN Cc1cc(CC(=O)N(C)CC(F)F)c(C)n1-c1ccccc1 ZINC000826089597 628827216 /nfs/dbraw/zinc/82/72/16/628827216.db2.gz KQJUENXOUBWWHH-UHFFFAOYSA-N 0 0 306.356 3.360 20 10 DGCDRN O=C(CCCC(=O)C1CC1)NCc1c(O)ccc2c1CCCC2 ZINC000826137343 628830744 /nfs/dbraw/zinc/83/07/44/628830744.db2.gz PUJSRGRNIIFNIT-UHFFFAOYSA-N 0 0 315.413 3.037 20 10 DGCDRN Cc1c(NCc2cc(Cl)ccc2O)cccc1-c1nn[nH]n1 ZINC000826242131 628835555 /nfs/dbraw/zinc/83/55/55/628835555.db2.gz BCNDWKJNNVFGIB-UHFFFAOYSA-N 0 0 315.764 3.146 20 10 DGCDRN CCN(CCSC)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000826530427 628856503 /nfs/dbraw/zinc/85/65/03/628856503.db2.gz FWFNNRUDGIVALC-CYBMUJFWSA-N 0 0 309.479 3.208 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CC[C@H](OC)C2)cc1F ZINC000826941434 628905830 /nfs/dbraw/zinc/90/58/30/628905830.db2.gz JHUDNLPNGBSWMC-GJZGRUSLSA-N 0 0 322.424 3.103 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000827538348 628969513 /nfs/dbraw/zinc/96/95/13/628969513.db2.gz OTXDHDLIHHKFJS-UHFFFAOYSA-N 0 0 307.821 3.437 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000827648604 628979495 /nfs/dbraw/zinc/97/94/95/628979495.db2.gz BZADPEVWSLUVME-UHFFFAOYSA-N 0 0 323.742 3.215 20 10 DGCDRN CCOc1ccc(NCc2cc(OC)c(OC)cc2O)nc1C ZINC000827728704 628986061 /nfs/dbraw/zinc/98/60/61/628986061.db2.gz NQLJXZLRTSXZQY-UHFFFAOYSA-N 0 0 318.373 3.124 20 10 DGCDRN CCc1cccc(CN2CCO[C@H](CC(F)(F)F)C2)c1O ZINC000827786051 628991026 /nfs/dbraw/zinc/99/10/26/628991026.db2.gz HAZSZINEFGGUJB-CYBMUJFWSA-N 0 0 303.324 3.108 20 10 DGCDRN C[C@@H]1CN(Cc2cc(F)ccc2O)C[C@@H](CC(F)(F)F)O1 ZINC000827787095 628991233 /nfs/dbraw/zinc/99/12/33/628991233.db2.gz MIOJUKQUNMDJQU-BXKDBHETSA-N 0 0 307.287 3.073 20 10 DGCDRN COc1ccc(CCC(=O)N[C@H](C)c2ccccc2O)cc1F ZINC000827922862 629003635 /nfs/dbraw/zinc/00/36/35/629003635.db2.gz BCJRCAJQVWJZIM-GFCCVEGCSA-N 0 0 317.360 3.350 20 10 DGCDRN CC[C@H](C(=O)N[C@H](C)c1ccccc1O)c1c(C)noc1C ZINC000827930587 629004797 /nfs/dbraw/zinc/00/47/97/629004797.db2.gz LRBMRAQOLVUUNU-MFKMUULPSA-N 0 0 302.374 3.368 20 10 DGCDRN C[C@@H](NC(=O)[C@](C)(O)[C@@H](C)c1ccccc1)c1ccccc1O ZINC000827937218 629005308 /nfs/dbraw/zinc/00/53/08/629005308.db2.gz OYRSUZGSENLSFC-IQUTYRLHSA-N 0 0 313.397 3.124 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCSC[C@@H]1c1ccccc1 ZINC000827935488 629005559 /nfs/dbraw/zinc/00/55/59/629005559.db2.gz YRDUIBRIYSWDIU-CYBMUJFWSA-N 0 0 305.424 3.384 20 10 DGCDRN C[C@@H](NC(=O)[C@@H]1CCC(=O)c2ccccc21)c1ccccc1O ZINC000827946779 629006643 /nfs/dbraw/zinc/00/66/43/629006643.db2.gz RLPZBEAXXSCIAQ-MLGOLLRUSA-N 0 0 309.365 3.330 20 10 DGCDRN COc1ccc2c(c1)[C@@H](C(=O)N[C@H](C)c1ccccc1O)CC2 ZINC000827946820 629006654 /nfs/dbraw/zinc/00/66/54/629006654.db2.gz SKFAGRIOHVCNTC-WBMJQRKESA-N 0 0 311.381 3.308 20 10 DGCDRN CCOc1ccc(CN2C[C@@H](C)O[C@](C)(C(F)F)C2)c(O)c1 ZINC000827962068 629008593 /nfs/dbraw/zinc/00/85/93/629008593.db2.gz FKKHQPLMAKTEEG-BZNIZROVSA-N 0 0 315.360 3.035 20 10 DGCDRN C[C@H](NC(=O)[C@@H](C)c1ccc2c(c1)OCO2)c1ccccc1O ZINC000827963797 629008658 /nfs/dbraw/zinc/00/86/58/629008658.db2.gz AQRPSPVSDNTKGY-RYUDHWBXSA-N 0 0 313.353 3.102 20 10 DGCDRN CCc1nc2ccccc2n1CC(=O)N[C@@H](C)c1ccccc1O ZINC000827969466 629009221 /nfs/dbraw/zinc/00/92/21/629009221.db2.gz MYGAYKJXXPFZQL-ZDUSSCGKSA-N 0 0 323.396 3.182 20 10 DGCDRN C[C@H](NC(=O)[C@H]1CCCc2c(O)cccc21)c1ccccc1O ZINC000827969442 629009470 /nfs/dbraw/zinc/00/94/70/629009470.db2.gz MJNDDSSLIRTSMU-LRDDRELGSA-N 0 0 311.381 3.395 20 10 DGCDRN Cc1noc(C)c1[C@H](C)CC(=O)N[C@@H](C)c1ccccc1O ZINC000827973084 629009739 /nfs/dbraw/zinc/00/97/39/629009739.db2.gz IDUGTBSOADJPEN-MNOVXSKESA-N 0 0 302.374 3.368 20 10 DGCDRN C[C@H](NC(=O)[C@H]1C[C@@]12CCc1ccccc12)c1ccccc1O ZINC000827973041 629009894 /nfs/dbraw/zinc/00/98/94/629009894.db2.gz GVJBVTJWEPYDJL-WSXQUGQNSA-N 0 0 307.393 3.474 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)c2ccccc2O)nn1[C@H](C)C1CC1 ZINC000827970200 629010002 /nfs/dbraw/zinc/01/00/02/629010002.db2.gz ZKZWTIKCYXSIOD-QWHCGFSZSA-N 0 0 313.401 3.359 20 10 DGCDRN CC(C)Oc1cc(C(=O)N[C@@H](C)c2ccccc2O)ccn1 ZINC000827972956 629010023 /nfs/dbraw/zinc/01/00/23/629010023.db2.gz DYWAAVVQSXFDGZ-LBPRGKRZSA-N 0 0 300.358 3.065 20 10 DGCDRN CC(C)[C@H]1C[C@@H](CC(=O)N[C@@H](C)c2ccccc2O)CCO1 ZINC000827970138 629010037 /nfs/dbraw/zinc/01/00/37/629010037.db2.gz XNUSRGLPZITQHY-GRDNDAEWSA-N 0 0 305.418 3.411 20 10 DGCDRN Cc1noc(Cl)c1CCC(=O)N[C@@H](C)c1ccccc1O ZINC000827977927 629010395 /nfs/dbraw/zinc/01/03/95/629010395.db2.gz CNZQPCIOCITRKZ-VIFPVBQESA-N 0 0 308.765 3.152 20 10 DGCDRN Cc1cc(C)n([C@H](C)CC(=O)N[C@@H](C)c2ccccc2O)n1 ZINC000827981961 629010752 /nfs/dbraw/zinc/01/07/52/629010752.db2.gz JEBWVANKROJQFJ-KGLIPLIRSA-N 0 0 301.390 3.034 20 10 DGCDRN Cc1noc(C)c1CSCC(=O)N[C@@H](C)c1ccccc1O ZINC000827984335 629010901 /nfs/dbraw/zinc/01/09/01/629010901.db2.gz BJBOWWVQTJKSCQ-JTQLQIEISA-N 0 0 320.414 3.108 20 10 DGCDRN COc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000827982458 629011054 /nfs/dbraw/zinc/01/10/54/629011054.db2.gz USHHPBXUKIXQLI-STQMWFEESA-N 0 0 315.369 3.046 20 10 DGCDRN COc1ccc2c(c1)CCCCN2Cc1nc(C2CC2)nn1C ZINC000828122881 629025293 /nfs/dbraw/zinc/02/52/93/629025293.db2.gz PRQSZLNSHYLTLC-UHFFFAOYSA-N 0 0 312.417 3.044 20 10 DGCDRN CN(C)c1ccc([C@@H]2C[C@H]2C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000828328278 629045077 /nfs/dbraw/zinc/04/50/77/629045077.db2.gz WVCRDQXBDAIXGL-DLBZAZTESA-N 0 0 322.408 3.104 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCN(CC2CC2)c2ccccc21 ZINC000829422514 629156196 /nfs/dbraw/zinc/15/61/96/629156196.db2.gz GLKBWSBUVZGEBK-UHFFFAOYSA-N 0 0 314.410 3.331 20 10 DGCDRN Cc1cc(CN2CCO[C@@H](C(F)F)C2)ccc1N1CCCCC1 ZINC000829506380 629163717 /nfs/dbraw/zinc/16/37/17/629163717.db2.gz UHRXPQJXHRZVOB-QGZVFWFLSA-N 0 0 324.415 3.451 20 10 DGCDRN O=C(NCc1ccc(N2CCSCC2)cc1)OC1CCC1 ZINC000830057313 629220645 /nfs/dbraw/zinc/22/06/45/629220645.db2.gz PXOJWIGEXFAYIR-UHFFFAOYSA-N 0 0 306.431 3.019 20 10 DGCDRN CCOc1ccc(O)c(C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1 ZINC000830085386 629223728 /nfs/dbraw/zinc/22/37/28/629223728.db2.gz VRXSHUOWUWSTFA-KCXAZCMYSA-N 0 0 319.401 3.009 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)C[C@@H](C)[C@H]1CCCO1 ZINC000830141339 629229609 /nfs/dbraw/zinc/22/96/09/629229609.db2.gz RENAMLZQJHNNLM-RHSMWYFYSA-N 0 0 305.418 3.336 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1ccc(CC)cn1 ZINC000830141233 629229650 /nfs/dbraw/zinc/22/96/50/629229650.db2.gz PEGGFKZHAAFYBD-UHFFFAOYSA-N 0 0 312.413 3.331 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(Cl)nc1N ZINC000830146856 629230881 /nfs/dbraw/zinc/23/08/81/629230881.db2.gz MWGSIIZZDGQWLZ-UHFFFAOYSA-N 0 0 319.792 3.075 20 10 DGCDRN CCc1cc(C[N@@H+]2CC[C@](F)(C(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC000830218863 629240357 /nfs/dbraw/zinc/24/03/57/629240357.db2.gz VLUDVAABZBQHEP-GOSISDBHSA-N 0 0 323.408 3.251 20 10 DGCDRN COc1cccc(CNC(=O)C2[C@H]3CCCCCC[C@H]23)c1O ZINC000830541356 629282575 /nfs/dbraw/zinc/28/25/75/629282575.db2.gz WQDOJYTXWGTDGZ-KBPBESRZSA-N 0 0 303.402 3.233 20 10 DGCDRN O=C(OC1CCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000830599198 629287295 /nfs/dbraw/zinc/28/72/95/629287295.db2.gz JGWSRUPEFDUJMQ-HNNXBMFYSA-N 0 0 305.374 3.062 20 10 DGCDRN C/C(=C\C(=O)N(C)c1ccc(OC(C)C)cc1)c1cnccn1 ZINC000831115723 629339715 /nfs/dbraw/zinc/33/97/15/629339715.db2.gz LFFVLFXXZXSVEW-SDNWHVSQSA-N 0 0 311.385 3.330 20 10 DGCDRN COc1ccc(N(CC2CC2)C[C@H]2CC3(CCC3)C(=O)O2)cc1 ZINC000831587872 629393234 /nfs/dbraw/zinc/39/32/34/629393234.db2.gz NVVIGVIWYDRMKX-QGZVFWFLSA-N 0 0 315.413 3.397 20 10 DGCDRN COc1ccc(N(CC(=O)N[C@H](C)C(C)C)CC2CC2)cc1 ZINC000831582752 629393447 /nfs/dbraw/zinc/39/34/47/629393447.db2.gz FTLNLIYUFPYGEF-CQSZACIVSA-N 0 0 304.434 3.072 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)/C=C\[C@H]1CCOC1 ZINC000831909352 629427337 /nfs/dbraw/zinc/42/73/37/629427337.db2.gz LWDPPPWAXYJQTG-CDNLZTBQSA-N 0 0 303.402 3.114 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCC2(CC2)CC1 ZINC000831924148 629428484 /nfs/dbraw/zinc/42/84/84/629428484.db2.gz CQLCAOXHABYZEC-LBPRGKRZSA-N 0 0 303.402 3.115 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)CC(F)(F)F ZINC000831931947 629429139 /nfs/dbraw/zinc/42/91/39/629429139.db2.gz VUNFLMJYSVJLGM-VIFPVBQESA-N 0 0 319.323 3.124 20 10 DGCDRN CCc1c(NC(=O)Cc2ccc(N)cc2)onc1C(F)(F)F ZINC000831988108 629433430 /nfs/dbraw/zinc/43/34/30/629433430.db2.gz LSWIARBQCMHWKB-UHFFFAOYSA-N 0 0 313.279 3.019 20 10 DGCDRN C[C@H](Cc1ccco1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000832437281 629479997 /nfs/dbraw/zinc/47/99/97/629479997.db2.gz YPKIBGPDXZRLBI-KGLIPLIRSA-N 0 0 300.402 3.402 20 10 DGCDRN C[C@@H](CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCCO1 ZINC000832435581 629480410 /nfs/dbraw/zinc/48/04/10/629480410.db2.gz CGJQHMLTMJWYKQ-ZQIUZPCESA-N 0 0 304.434 3.135 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCN(C2CC2)c2ccccc21 ZINC000832570092 629497032 /nfs/dbraw/zinc/49/70/32/629497032.db2.gz MXUZUOQBUQKVRN-UHFFFAOYSA-N 0 0 300.383 3.083 20 10 DGCDRN Cn1cc(/C=C/C(=O)N(Cc2ccccc2)c2ccccn2)cn1 ZINC000832904346 629530635 /nfs/dbraw/zinc/53/06/35/629530635.db2.gz QJNLXCSXURHFFN-ZHACJKMWSA-N 0 0 318.380 3.062 20 10 DGCDRN Cc1csc([C@H](NC(=O)C2=CC(=O)CS2)C(F)(F)F)n1 ZINC000833141575 629560796 /nfs/dbraw/zinc/56/07/96/629560796.db2.gz DMWUPOAHTHUGHY-QMMMGPOBSA-N 0 0 322.333 3.252 20 10 DGCDRN Cc1cc(C(=O)NC(CF)CF)c(C)n1-c1ccccc1C ZINC000833434802 629604296 /nfs/dbraw/zinc/60/42/96/629604296.db2.gz VEWUPNOEYJSEJO-UHFFFAOYSA-N 0 0 306.356 3.440 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)CCCCO)cc1 ZINC000833696728 629642431 /nfs/dbraw/zinc/64/24/31/629642431.db2.gz YQTBSVDLNBWQGO-CQSZACIVSA-N 0 0 314.429 3.375 20 10 DGCDRN CN(C)c1ccc(C[N@H+](C)Cc2ccc(C(=O)[O-])cc2F)cc1 ZINC000833695567 629642469 /nfs/dbraw/zinc/64/24/69/629642469.db2.gz RRNNDTUBVUCVAC-UHFFFAOYSA-N 0 0 316.376 3.222 20 10 DGCDRN Cc1cc(O)c(C[N@@H+]2CCc3ccc(C(=O)[O-])cc3C2)cc1C ZINC000833747469 629646562 /nfs/dbraw/zinc/64/65/62/629646562.db2.gz ZDSQFGQYZMKDCS-UHFFFAOYSA-N 0 0 311.381 3.266 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NCCC[C@H]2C=CCC2)cc1 ZINC000834317161 629690383 /nfs/dbraw/zinc/69/03/83/629690383.db2.gz KSUWLWYJUSVFEA-LBPRGKRZSA-N 0 0 300.362 3.325 20 10 DGCDRN COC(=O)c1cnc(SC[C@H](O)c2ccccc2C)s1 ZINC000834383487 629702419 /nfs/dbraw/zinc/70/24/19/629702419.db2.gz UFEPGYXTGLZGBI-NSHDSACASA-N 0 0 309.412 3.064 20 10 DGCDRN CN(Cc1cccs1)c1ccc(CNc2cn(C)nn2)cc1 ZINC000834474681 629714906 /nfs/dbraw/zinc/71/49/06/629714906.db2.gz BGQDIFNZNJWVLT-UHFFFAOYSA-N 0 0 313.430 3.125 20 10 DGCDRN CCc1nnc(NCc2cc(C)cc(Br)c2O)o1 ZINC000834478532 629715550 /nfs/dbraw/zinc/71/55/50/629715550.db2.gz JBKBCMDWVJCLLV-UHFFFAOYSA-N 0 0 312.167 3.021 20 10 DGCDRN C[C@@H]([NH2+]CCCC1CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834818198 629783819 /nfs/dbraw/zinc/78/38/19/629783819.db2.gz IBOCBOKMARYEFN-GFCCVEGCSA-N 0 0 308.378 3.158 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CCOC2(CCC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834881837 629796148 /nfs/dbraw/zinc/79/61/48/629796148.db2.gz BQCWQSQYYQOYLE-QWHCGFSZSA-N 0 0 320.389 3.300 20 10 DGCDRN CC[C@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1[O-])[C@H](C)O ZINC000834886956 629797686 /nfs/dbraw/zinc/79/76/86/629797686.db2.gz GGYHVUGRKGVWSV-LWINAJNOSA-N 0 0 320.202 3.104 20 10 DGCDRN CC[C@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1[O-])[C@@H](C)O ZINC000834886960 629797819 /nfs/dbraw/zinc/79/78/19/629797819.db2.gz GGYHVUGRKGVWSV-RWYTXXIDSA-N 0 0 320.202 3.104 20 10 DGCDRN Cc1ccc(O)c([C@H](C)Nc2ccc(O[C@@H]3CC(=O)N3)cc2)c1 ZINC000834895255 629800404 /nfs/dbraw/zinc/80/04/04/629800404.db2.gz HDMPSZSNQRJDFO-KPZWWZAWSA-N 0 0 312.369 3.099 20 10 DGCDRN CC[C@H]([NH2+][C@H](C)Cc1cnn(C)c1)c1cccc(Cl)c1[O-] ZINC000834896556 629801161 /nfs/dbraw/zinc/80/11/61/629801161.db2.gz LEFLXPKFCXJCJS-ABAIWWIYSA-N 0 0 307.825 3.451 20 10 DGCDRN CCCc1ncc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000834899192 629801999 /nfs/dbraw/zinc/80/19/99/629801999.db2.gz JIMIZCJOYVOBCD-SNVBAGLBSA-N 0 0 305.334 3.092 20 10 DGCDRN CCC1(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])COC1 ZINC000834901223 629802822 /nfs/dbraw/zinc/80/28/22/629802822.db2.gz YUUOKMAFQOLNOA-JTQLQIEISA-N 0 0 303.324 3.488 20 10 DGCDRN C[C@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1cc(Cl)c(Cl)cc1[O-] ZINC000834908565 629805706 /nfs/dbraw/zinc/80/57/06/629805706.db2.gz KLBNURUBPAKJNN-RTHLEPHNSA-N 0 0 317.216 3.018 20 10 DGCDRN C[C@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1cc(Cl)c(Cl)cc1[O-] ZINC000834908564 629806046 /nfs/dbraw/zinc/80/60/46/629806046.db2.gz KLBNURUBPAKJNN-RMLUDKJBSA-N 0 0 317.216 3.018 20 10 DGCDRN CN(C)c1ccc(/C=C/CNc2ccc(OCCO)cc2)cc1 ZINC000835031843 629829919 /nfs/dbraw/zinc/82/99/19/629829919.db2.gz NOUANEZSHXIMQB-ONEGZZNKSA-N 0 0 312.413 3.249 20 10 DGCDRN CN(C)c1ccc(/C=C/CN2CCOC[C@@H]2CC(F)F)cc1 ZINC000835053542 629837667 /nfs/dbraw/zinc/83/76/67/629837667.db2.gz NWKVJINSAHYGNP-CWDCEQMOSA-N 0 0 310.388 3.122 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCOCC1CCCC1 ZINC000835056831 629839388 /nfs/dbraw/zinc/83/93/88/629839388.db2.gz PGJJYWSMWPIPSD-UHFFFAOYSA-N 0 0 301.789 3.481 20 10 DGCDRN CCC(C)(C)OCC[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000835085747 629847558 /nfs/dbraw/zinc/84/75/58/629847558.db2.gz WDXLNFNVPKMMPM-UHFFFAOYSA-N 0 0 316.785 3.249 20 10 DGCDRN CCn1cc(N2C(=O)/C(=C/c3ccsc3)SC2=S)cn1 ZINC000101960284 629882533 /nfs/dbraw/zinc/88/25/33/629882533.db2.gz RHGAKVREIPRADS-WZUFQYTHSA-N 0 0 321.452 3.370 20 10 DGCDRN COc1ccc(CNC(=O)NCC(C)(C)C2CCC2)c(O)c1 ZINC000836595798 630139273 /nfs/dbraw/zinc/13/92/73/630139273.db2.gz XQRZNJJHPCBGDG-UHFFFAOYSA-N 0 0 306.406 3.026 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)N[C@H](C2CC2)C2CCC2)cc1 ZINC000836687464 630151009 /nfs/dbraw/zinc/15/10/09/630151009.db2.gz TXVYEBJARKQUTL-SFHVURJKSA-N 0 0 315.461 3.473 20 10 DGCDRN CC(C)[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@H]1C(C)C ZINC000836888015 630180181 /nfs/dbraw/zinc/18/01/81/630180181.db2.gz IGJAKXPARQKEHI-ZBWFSNBTSA-N 0 0 303.402 3.250 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OC[C@@H]1CCCCC1(F)F ZINC000837586925 630280080 /nfs/dbraw/zinc/28/00/80/630280080.db2.gz HLLGGHHFQBFQCP-PZBABLGHSA-N 0 0 312.312 3.480 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1cnc(C)o1 ZINC000837973296 630331363 /nfs/dbraw/zinc/33/13/63/630331363.db2.gz LHWDZDFFUGPMPJ-UHFFFAOYSA-N 0 0 315.398 3.382 20 10 DGCDRN Cc1ccc(CC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)o1 ZINC000840555014 630337199 /nfs/dbraw/zinc/33/71/99/630337199.db2.gz NDRPSOSUUGYHCN-AWEZNQCLSA-N 0 0 314.429 3.252 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ccc(Cn2cncn2)cc1 ZINC000840926155 630379577 /nfs/dbraw/zinc/37/95/77/630379577.db2.gz MKRYXLRQWAHNJK-UHFFFAOYSA-N 0 0 321.428 3.313 20 10 DGCDRN COC[C@H](NCc1ccc(N(C)C)cc1C)c1ccc(C)o1 ZINC000840935223 630380608 /nfs/dbraw/zinc/38/06/08/630380608.db2.gz IVVLXFSDELEABH-KRWDZBQOSA-N 0 0 302.418 3.440 20 10 DGCDRN COc1ccc(CN(C)Cc2c(O)cc(C)cc2Cl)cn1 ZINC000840940025 630381352 /nfs/dbraw/zinc/38/13/52/630381352.db2.gz UGTWTMAJXRFPDZ-UHFFFAOYSA-N 0 0 306.793 3.390 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1cccc2c1OCC(=O)N2 ZINC000840946809 630382655 /nfs/dbraw/zinc/38/26/55/630382655.db2.gz OVZBUEWUPZYEGM-UHFFFAOYSA-N 0 0 311.385 3.004 20 10 DGCDRN COc1c([O-])c(C[NH2+]C[C@H]2CCC[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000840954823 630384487 /nfs/dbraw/zinc/38/44/87/630384487.db2.gz OQQTYWXDTGRUEQ-OCCSQVGLSA-N 0 0 320.389 3.225 20 10 DGCDRN COC1([C@H](C)[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCC1 ZINC000840970007 630388767 /nfs/dbraw/zinc/38/87/67/630388767.db2.gz OBYLWNBVWUMHDX-VIFPVBQESA-N 0 0 314.769 3.001 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])cc1F ZINC000840997817 630393088 /nfs/dbraw/zinc/39/30/88/630393088.db2.gz NFWVKHOZGLAASH-MRXNPFEDSA-N 0 0 308.397 3.111 20 10 DGCDRN CCC[C@@H](NC(=O)C(=O)Nc1ccc(N)cc1)C1CCCCC1 ZINC000841028260 630398173 /nfs/dbraw/zinc/39/81/73/630398173.db2.gz NVKZNPPMQWFZFD-MRXNPFEDSA-N 0 0 317.433 3.073 20 10 DGCDRN COc1cc(O)c(CN2CCCNc3ccccc32)cc1OC ZINC000841088764 630406762 /nfs/dbraw/zinc/40/67/62/630406762.db2.gz AYLAYBHUCYYCIF-UHFFFAOYSA-N 0 0 314.385 3.232 20 10 DGCDRN CC(C)(C)CN(CC(C)(C)C)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841109024 630409178 /nfs/dbraw/zinc/40/91/78/630409178.db2.gz INTMRGPWSSQGEW-UHFFFAOYSA-N 0 0 319.449 3.128 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)/C=C\COc1ccccc1 ZINC000841120194 630409999 /nfs/dbraw/zinc/40/99/99/630409999.db2.gz DAVOKJNXRWADTN-YFHOEESVSA-N 0 0 324.424 3.312 20 10 DGCDRN CCCC[C@H](C)N(CCCC)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841135103 630410863 /nfs/dbraw/zinc/41/08/63/630410863.db2.gz FECPRNPSIZTQCQ-AWEZNQCLSA-N 0 0 319.449 3.415 20 10 DGCDRN CN(c1ccccc1)C1CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000841299076 630424452 /nfs/dbraw/zinc/42/44/52/630424452.db2.gz FQOQXBMWVTZEDF-UHFFFAOYSA-N 0 0 324.428 3.402 20 10 DGCDRN CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)Nc1ccc(N)cc1 ZINC000841298623 630424458 /nfs/dbraw/zinc/42/44/58/630424458.db2.gz CDBXRGLLWIFHOO-QGZVFWFLSA-N 0 0 313.401 3.165 20 10 DGCDRN Nc1ccc(NC(=O)N2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000841298892 630424531 /nfs/dbraw/zinc/42/45/31/630424531.db2.gz SVHMYNFBAGKNAF-KRWDZBQOSA-N 0 0 310.401 3.377 20 10 DGCDRN CCc1ccc([C@H]2COCCN2C(=O)Nc2ccc(N)cc2)o1 ZINC000841296795 630424558 /nfs/dbraw/zinc/42/45/58/630424558.db2.gz ZAJHRWGQIRMVGI-OAHLLOKOSA-N 0 0 315.373 3.030 20 10 DGCDRN CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)Nc1ccc(N)cc1 ZINC000841299219 630424899 /nfs/dbraw/zinc/42/48/99/630424899.db2.gz XBHRGWAFHXSSNJ-LSDHHAIUSA-N 0 0 305.422 3.326 20 10 DGCDRN CCO[C@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)C12CCCC2 ZINC000841299491 630425070 /nfs/dbraw/zinc/42/50/70/630425070.db2.gz HQWKCDQXXMWVCH-CABCVRRESA-N 0 0 303.406 3.128 20 10 DGCDRN Cc1csc(C2(NC(=O)Nc3ccc(N)cc3)CCC2)n1 ZINC000841299565 630425103 /nfs/dbraw/zinc/42/51/03/630425103.db2.gz IXYGBDCZUOTPJU-UHFFFAOYSA-N 0 0 302.403 3.235 20 10 DGCDRN O=C(/C=C/c1cncc(F)c1)N1CCCc2cc(F)ccc21 ZINC000104278128 630425527 /nfs/dbraw/zinc/42/55/27/630425527.db2.gz AWGJMUIYEXALAZ-ZZXKWVIFSA-N 0 0 300.308 3.352 20 10 DGCDRN Cc1cccc(C)c1OC[C@@H](C)NC(=O)Nc1ccc(N)cc1 ZINC000841301491 630425585 /nfs/dbraw/zinc/42/55/85/630425585.db2.gz RAYFWXHXPODQLP-CQSZACIVSA-N 0 0 313.401 3.475 20 10 DGCDRN CCN(CCCNC(=O)Nc1ccc(N)cc1)c1ccccc1 ZINC000841302085 630425672 /nfs/dbraw/zinc/42/56/72/630425672.db2.gz LFENEBZFRWNNKY-UHFFFAOYSA-N 0 0 312.417 3.307 20 10 DGCDRN COc1ccc([C@H]2CCN(C(=O)Nc3ccc(N)cc3)C2)cc1 ZINC000841301560 630425680 /nfs/dbraw/zinc/42/56/80/630425680.db2.gz UNWRYRUZZHWJOY-AWEZNQCLSA-N 0 0 311.385 3.299 20 10 DGCDRN CC[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000121505949 630433342 /nfs/dbraw/zinc/43/33/42/630433342.db2.gz HQXVMYYWOHAXKK-WMZOPIPTSA-N 0 0 313.445 3.441 20 10 DGCDRN Cc1noc(CNC(=O)c2cc(C)ccc2-n2c(C)ccc2C)n1 ZINC000104300153 630433695 /nfs/dbraw/zinc/43/36/95/630433695.db2.gz KSPAWRMEUYDSED-UHFFFAOYSA-N 0 0 324.384 3.024 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)C1(C(F)(F)F)CCCC1 ZINC000841404196 630435844 /nfs/dbraw/zinc/43/58/44/630435844.db2.gz NEAVDXQWBQFEAM-UHFFFAOYSA-N 0 0 301.308 3.473 20 10 DGCDRN CCn1ncc(C(=O)CSc2ncc(C(C)(C)C)s2)n1 ZINC000841671781 630453262 /nfs/dbraw/zinc/45/32/62/630453262.db2.gz YGUAAODHGVZZNN-UHFFFAOYSA-N 0 0 310.448 3.027 20 10 DGCDRN C[C@H]([NH2+]CCCOC[C@H]1CCCO1)c1ccc(Cl)cc1[O-] ZINC000841745349 630461081 /nfs/dbraw/zinc/46/10/81/630461081.db2.gz YFOBSPMWRZPJGV-GXTWGEPZSA-N 0 0 313.825 3.282 20 10 DGCDRN C[C@@H]([NH2+]CCCOC[C@@H]1CCCO1)c1ccc(Cl)cc1[O-] ZINC000841745351 630461882 /nfs/dbraw/zinc/46/18/82/630461882.db2.gz YFOBSPMWRZPJGV-OCCSQVGLSA-N 0 0 313.825 3.282 20 10 DGCDRN C[C@@H]([NH2+]CC1(N(C)C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000841764279 630463368 /nfs/dbraw/zinc/46/33/68/630463368.db2.gz VFPCYZSZJHGOPY-SECBINFHSA-N 0 0 303.233 3.444 20 10 DGCDRN O=C([O-])[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000841819219 630468586 /nfs/dbraw/zinc/46/85/86/630468586.db2.gz DVNVSJGATUDSBG-SJLPKXTDSA-N 0 0 316.445 3.267 20 10 DGCDRN CSCCCCCCNC(=O)NCCc1ccc(N)cc1 ZINC000841874954 630472570 /nfs/dbraw/zinc/47/25/70/630472570.db2.gz LTIZXSBLXHBLDR-UHFFFAOYSA-N 0 0 309.479 3.034 20 10 DGCDRN CC(C)[C@@H](CC(F)(F)F)NC(=O)NCCc1ccc(N)cc1 ZINC000841886131 630473049 /nfs/dbraw/zinc/47/30/49/630473049.db2.gz YKWLRKIVPVYPQN-CYBMUJFWSA-N 0 0 317.355 3.088 20 10 DGCDRN CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@H]1CC1(C)C ZINC000841890750 630473430 /nfs/dbraw/zinc/47/34/30/630473430.db2.gz KAZUZURKVHMNSG-VXGBXAGGSA-N 0 0 308.378 3.223 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]CC[C@@H]1COc2ccccc2O1 ZINC000841888872 630473654 /nfs/dbraw/zinc/47/36/54/630473654.db2.gz UEILUGZWQJGKJD-CYBMUJFWSA-N 0 0 319.788 3.365 20 10 DGCDRN CCC[C@@H](C)[C@@H]1CCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841956395 630476944 /nfs/dbraw/zinc/47/69/44/630476944.db2.gz ALVUXXCMVGNPJJ-PBHICJAKSA-N 0 0 303.450 3.422 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CCC[C@@H]2c2ccsc2)cc1 ZINC000841963346 630477185 /nfs/dbraw/zinc/47/71/85/630477185.db2.gz ZEMRURSGGKVJRP-MRXNPFEDSA-N 0 0 315.442 3.420 20 10 DGCDRN Cc1ccc(CN(C)C(=O)NCCc2ccc(N)cc2)s1 ZINC000841957780 630477214 /nfs/dbraw/zinc/47/72/14/630477214.db2.gz VGNZAZJGAPYWRH-UHFFFAOYSA-N 0 0 303.431 3.023 20 10 DGCDRN C[C@H]1[C@@H](C)N(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@H]1C ZINC000842177514 630502844 /nfs/dbraw/zinc/50/28/44/630502844.db2.gz IBDBTHBVSZMQMX-JHJVBQTASA-N 0 0 307.413 3.078 20 10 DGCDRN C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000842177513 630503037 /nfs/dbraw/zinc/50/30/37/630503037.db2.gz IBDBTHBVSZMQMX-FRRDWIJNSA-N 0 0 307.413 3.078 20 10 DGCDRN CC[C@@H](NC(=O)NCc1cc(OC)ccc1O)[C@H]1CC1(C)C ZINC000842180489 630503381 /nfs/dbraw/zinc/50/33/81/630503381.db2.gz OZWDDMXACJLVGU-ZIAGYGMSSA-N 0 0 306.406 3.025 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](CN)C2CCCCC2)c1[O-] ZINC000842475787 630539568 /nfs/dbraw/zinc/53/95/68/630539568.db2.gz CMLKUYGDTOBPEQ-MRXNPFEDSA-N 0 0 324.852 3.245 20 10 DGCDRN CC[C@H](C)C[C@@H](CO)[NH2+]Cc1cccc(Br)c1[O-] ZINC000842755367 630571745 /nfs/dbraw/zinc/57/17/45/630571745.db2.gz XYCGRGUXAPGZRF-JQWIXIFHSA-N 0 0 316.239 3.041 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)/C=C(\C)C3CC3)C2)cc1 ZINC000842877246 630588595 /nfs/dbraw/zinc/58/85/95/630588595.db2.gz BIMSOHDOQNOAIX-ATGUSINASA-N 0 0 315.413 3.421 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)c3cccs3)C2)cc1 ZINC000842882750 630588933 /nfs/dbraw/zinc/58/89/33/630588933.db2.gz YRMQBCPVPCAJSO-ZDUSSCGKSA-N 0 0 317.410 3.440 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1COC[C@H]1OC)c1cc(Cl)cc(Cl)c1[O-] ZINC000842911650 630593263 /nfs/dbraw/zinc/59/32/63/630593263.db2.gz KXYQHRPYXWXZCJ-YNEHKIRRSA-N 0 0 320.216 3.154 20 10 DGCDRN Nc1ccc(Cc2noc(CSC[C@H]3CCCCO3)n2)cc1 ZINC000843159007 630622791 /nfs/dbraw/zinc/62/27/91/630622791.db2.gz KLKBXFLYCPUJDG-CQSZACIVSA-N 0 0 319.430 3.045 20 10 DGCDRN Nc1ccc(Cc2noc(C[C@H]3OCCc4ccccc43)n2)cc1 ZINC000843160185 630623385 /nfs/dbraw/zinc/62/33/85/630623385.db2.gz WNJGVJBIJAISLL-QGZVFWFLSA-N 0 0 321.380 3.099 20 10 DGCDRN COc1ccccc1C1(c2noc(Cc3ccc(N)cc3)n2)CC1 ZINC000843235989 630637281 /nfs/dbraw/zinc/63/72/81/630637281.db2.gz YLXRBNOQYIOCRT-UHFFFAOYSA-N 0 0 321.380 3.331 20 10 DGCDRN C[C@]1(Cc2noc(Cc3ccc(N)cc3)n2)CC1(Cl)Cl ZINC000843239151 630637730 /nfs/dbraw/zinc/63/77/30/630637730.db2.gz FDUSONIHKUGKKZ-ZDUSSCGKSA-N 0 0 312.200 3.369 20 10 DGCDRN CCOc1ccc(CNc2ccccc2C[S@](C)=O)c(O)c1 ZINC000843404009 630653077 /nfs/dbraw/zinc/65/30/77/630653077.db2.gz OYKZVAPXSQUBLM-QFIPXVFZSA-N 0 0 319.426 3.282 20 10 DGCDRN CCN(C(=O)Cc1ccc(N)cc1)[C@H](C)Cc1ccsc1 ZINC000843499353 630662932 /nfs/dbraw/zinc/66/29/32/630662932.db2.gz NLTKAIHCRFIGDL-CYBMUJFWSA-N 0 0 302.443 3.353 20 10 DGCDRN COc1cccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000105460062 630712510 /nfs/dbraw/zinc/71/25/10/630712510.db2.gz QOIPZSSTFVDFPB-UHFFFAOYSA-N 0 0 313.184 3.392 20 10 DGCDRN COc1ccc(N(C)C[C@H]2CN(c3ccccc3)C(=O)O2)cc1 ZINC000844353401 630720726 /nfs/dbraw/zinc/72/07/26/630720726.db2.gz VXUQISIBGMPFIU-KRWDZBQOSA-N 0 0 312.369 3.157 20 10 DGCDRN CC(C)Cn1cc(NC(=O)NCc2cc(Cl)ccc2O)cn1 ZINC000844550335 630738605 /nfs/dbraw/zinc/73/86/05/630738605.db2.gz WJDRQVCPJMPBQY-UHFFFAOYSA-N 0 0 322.796 3.220 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CC[C@H]3C[C@H]3C2)cc1 ZINC000844855882 630945636 /nfs/dbraw/zinc/94/56/36/630945636.db2.gz CECPOLPHKJHBMP-XHSDSOJGSA-N 0 0 316.445 3.026 20 10 DGCDRN COc1cccc(CNC(=O)C2(c3ccccc3C)CC2)c1O ZINC000105650372 630950469 /nfs/dbraw/zinc/95/04/69/630950469.db2.gz YLKWNQBUARJIHX-UHFFFAOYSA-N 0 0 311.381 3.057 20 10 DGCDRN COc1cccc(CNC(=O)Cc2c[nH]c3cc(C)ccc23)c1O ZINC000105650588 630950606 /nfs/dbraw/zinc/95/06/06/630950606.db2.gz KOLQJYZRWZZAAG-UHFFFAOYSA-N 0 0 324.380 3.049 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CCCCCO2)cc1 ZINC000844899566 630970537 /nfs/dbraw/zinc/97/05/37/630970537.db2.gz YKWMJJRBBKXMHX-UHFFFAOYSA-N 0 0 305.422 3.160 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1CNc2ccccc2C1 ZINC000844909015 630975799 /nfs/dbraw/zinc/97/57/99/630975799.db2.gz ZLOOPHQVZJBERO-ZDUSSCGKSA-N 0 0 306.768 3.311 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC2CC3(CCC3)C2)cc1F ZINC000844932975 630990972 /nfs/dbraw/zinc/99/09/72/630990972.db2.gz AWAAXOHMGUQYRV-UHFFFAOYSA-N 0 0 305.397 3.024 20 10 DGCDRN CCCC[C@H](COC)NC(=O)NCc1cc(Cl)ccc1O ZINC000845005293 631031820 /nfs/dbraw/zinc/03/18/20/631031820.db2.gz JQEIFSHYJDTRCA-CYBMUJFWSA-N 0 0 314.813 3.050 20 10 DGCDRN COC(C)(C)C[C@H](C)NC(=O)NCc1cc(Cl)ccc1O ZINC000845012426 631035507 /nfs/dbraw/zinc/03/55/07/631035507.db2.gz CZNVHJJHAFOOKI-JTQLQIEISA-N 0 0 314.813 3.048 20 10 DGCDRN C[C@]1(CNC(=O)NCc2cc(Cl)ccc2O)CCCS1 ZINC000845046231 631055575 /nfs/dbraw/zinc/05/55/75/631055575.db2.gz WUYFTODJRHCAKT-CQSZACIVSA-N 0 0 314.838 3.131 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC[C@H](F)C1 ZINC000845261153 631156956 /nfs/dbraw/zinc/15/69/56/631156956.db2.gz ICKFIYDVQWSEMQ-ZBFHGGJFSA-N 0 0 321.440 3.136 20 10 DGCDRN COC/C(C)=C\C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000845461157 631176522 /nfs/dbraw/zinc/17/65/22/631176522.db2.gz ZWAOFICVZODJHK-VBKFSLOCSA-N 0 0 316.445 3.132 20 10 DGCDRN COC(=O)/C=C/c1ccc(N2CCC23CCCC3)c([N+](=O)[O-])c1 ZINC000845588919 631182564 /nfs/dbraw/zinc/18/25/64/631182564.db2.gz YJLHBSPSIGJLHK-FNORWQNLSA-N 0 0 316.357 3.304 20 10 DGCDRN CC(C)c1cc(NCc2cc(Cl)ccc2O)n2ncnc2n1 ZINC000845704387 631190131 /nfs/dbraw/zinc/19/01/31/631190131.db2.gz AIJXERBNMMOMQY-UHFFFAOYSA-N 0 0 317.780 3.219 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)C[C@H](OC)C(F)(F)F ZINC000845791714 631196469 /nfs/dbraw/zinc/19/64/69/631196469.db2.gz QQLNDZFGECFJNK-ZDUSSCGKSA-N 0 0 319.323 3.098 20 10 DGCDRN CCC[C@H](C)[C@H](CO)[NH2+]Cc1cccc(Br)c1[O-] ZINC000846017134 631206229 /nfs/dbraw/zinc/20/62/29/631206229.db2.gz LJVPFQDTPUQZSJ-GWCFXTLKSA-N 0 0 316.239 3.041 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000846042404 631207717 /nfs/dbraw/zinc/20/77/17/631207717.db2.gz LDOZGOLVQWFMEB-OAHLLOKOSA-N 0 0 313.800 3.480 20 10 DGCDRN COc1ccc(N(C)CCN(C)Cc2coc(C3CC3)n2)cc1 ZINC000846052398 631208329 /nfs/dbraw/zinc/20/83/29/631208329.db2.gz NNYOWILENSBTBL-UHFFFAOYSA-N 0 0 315.417 3.129 20 10 DGCDRN CCc1cnc(CN(C)CCN(C)c2ccc(OC)cc2)s1 ZINC000846052355 631208356 /nfs/dbraw/zinc/20/83/56/631208356.db2.gz PNNBEPMYNJPCSZ-UHFFFAOYSA-N 0 0 319.474 3.282 20 10 DGCDRN CSc1cccnc1NCc1ccc(N2CCOCC2)cc1 ZINC000846061694 631208894 /nfs/dbraw/zinc/20/88/94/631208894.db2.gz QORPIDZEXPUDNJ-UHFFFAOYSA-N 0 0 315.442 3.252 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)C[C@H](C)n1ccnc1 ZINC000846096575 631209314 /nfs/dbraw/zinc/20/93/14/631209314.db2.gz XJRQUCMLNTTXMQ-HNNXBMFYSA-N 0 0 315.417 3.369 20 10 DGCDRN CN(C)c1ccc(CN2C[C@H]3[C@@H](C2)C3(F)F)c(C(F)(F)F)c1 ZINC000846114385 631210317 /nfs/dbraw/zinc/21/03/17/631210317.db2.gz UZTMSUFSRSACAO-BETUJISGSA-N 0 0 320.305 3.468 20 10 DGCDRN CCOc1ccc(N[C@H](C)c2cccc(OC)c2O)cc1CO ZINC000846158603 631212830 /nfs/dbraw/zinc/21/28/30/631212830.db2.gz BILDHFAYYFIHSS-GFCCVEGCSA-N 0 0 317.385 3.465 20 10 DGCDRN COc1cccc([C@H](C)Nc2ccc(CNC(C)=O)cc2)c1O ZINC000846164055 631213013 /nfs/dbraw/zinc/21/30/13/631213013.db2.gz UOSMTQKUHCBPNI-LBPRGKRZSA-N 0 0 314.385 3.210 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](CO)CCF)c1ccc(Cl)c(Cl)c1[O-] ZINC000846208016 631214995 /nfs/dbraw/zinc/21/49/95/631214995.db2.gz FHLAAPMCHSIXRH-LDYMZIIASA-N 0 0 310.196 3.460 20 10 DGCDRN CCN(C)c1ccc(C[N@H+](C)Cc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000846260847 631217457 /nfs/dbraw/zinc/21/74/57/631217457.db2.gz JZQAAAGLGLBXOD-UHFFFAOYSA-N 0 0 316.401 3.374 20 10 DGCDRN CC[C@@H]1C[C@H](CC(=O)NCc2cc(Cl)ccc2O)CCO1 ZINC000846473055 631249660 /nfs/dbraw/zinc/24/96/60/631249660.db2.gz IBBCKTJQPNIDFW-BXUZGUMPSA-N 0 0 311.809 3.257 20 10 DGCDRN CC(=O)[C@@H](C)CCCCC(=O)NCc1cc(Cl)ccc1O ZINC000846477925 631251197 /nfs/dbraw/zinc/25/11/97/631251197.db2.gz XRLNMLLJCWFYFB-NSHDSACASA-N 0 0 311.809 3.447 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc(C(F)F)nc2)cc1 ZINC000846784152 631305055 /nfs/dbraw/zinc/30/50/55/631305055.db2.gz HYOSLYATSZQHFJ-UHFFFAOYSA-N 0 0 305.328 3.015 20 10 DGCDRN Cc1nn(C(C)C)cc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000846976114 631371655 /nfs/dbraw/zinc/37/16/55/631371655.db2.gz DSIDQKWVXOFCQS-CYBMUJFWSA-N 0 0 314.433 3.329 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)C[C@@H]2OCc3ccccc32)cc1 ZINC000847304488 631456818 /nfs/dbraw/zinc/45/68/18/631456818.db2.gz SGKXMHJELXROFK-IBGZPJMESA-N 0 0 324.424 3.373 20 10 DGCDRN C[C@@H](NC(=O)c1c(F)ccc(O)c1O)C1CCC(F)(F)CC1 ZINC000848391742 631652696 /nfs/dbraw/zinc/65/26/96/631652696.db2.gz OPGXTEHBHKSXHA-MRVPVSSYSA-N 0 0 317.307 3.181 20 10 DGCDRN COc1cc(Br)cc([C@H](C)NCC(C)(F)F)c1O ZINC000848551167 631689302 /nfs/dbraw/zinc/68/93/02/631689302.db2.gz FOUULVKRUNITCD-ZETCQYMHSA-N 0 0 324.165 3.469 20 10 DGCDRN C[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000848558892 631691667 /nfs/dbraw/zinc/69/16/67/631691667.db2.gz PMCIJMZQBHBMIT-GOPGUHFVSA-N 0 0 320.389 3.299 20 10 DGCDRN C[C@@H](C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)C(=O)[O-] ZINC000848640977 631715282 /nfs/dbraw/zinc/71/52/82/631715282.db2.gz XGMHRPUNRKIEFW-ZDUSSCGKSA-N 0 0 318.442 3.195 20 10 DGCDRN CCN(CC)c1ccc(CNc2nccc3c(=O)[nH]cnc32)cc1 ZINC000848646398 631717047 /nfs/dbraw/zinc/71/70/47/631717047.db2.gz HTMMKFGVCFEDNA-UHFFFAOYSA-N 0 0 323.400 3.189 20 10 DGCDRN CCCCCCOCC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000107767646 631727524 /nfs/dbraw/zinc/72/75/24/631727524.db2.gz RQEUKHWPAJCWQA-CYBMUJFWSA-N 0 0 309.406 3.175 20 10 DGCDRN CCc1cccc(CN2C[C@H](NC(C)=O)Cc3ccccc32)c1O ZINC000848900058 631778618 /nfs/dbraw/zinc/77/86/18/631778618.db2.gz AIFFRXIULPVIMH-GOSISDBHSA-N 0 0 324.424 3.022 20 10 DGCDRN CCc1cccc(CN[C@@H]2COc3cc(F)cc(F)c32)c1O ZINC000848902077 631779257 /nfs/dbraw/zinc/77/92/57/631779257.db2.gz JPNQAMZADXQKSB-CQSZACIVSA-N 0 0 305.324 3.456 20 10 DGCDRN C[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccccc1F ZINC000108968715 632002424 /nfs/dbraw/zinc/00/24/24/632002424.db2.gz JUIZLMWVJKODQJ-LBPRGKRZSA-N 0 0 318.367 3.451 20 10 DGCDRN O=C1[C@H](Sc2ncc(Cl)s2)CCN1CC(F)(F)F ZINC000849999134 632025054 /nfs/dbraw/zinc/02/50/54/632025054.db2.gz OLHJDEHFCYIKMS-RXMQYKEDSA-N 0 0 316.757 3.052 20 10 DGCDRN COC(=O)C(C)(C)C(=O)[C@H](C)Sc1ncc(Cl)s1 ZINC000850000494 632025764 /nfs/dbraw/zinc/02/57/64/632025764.db2.gz WYPIZTKGOCGDEU-LURJTMIESA-N 0 0 307.824 3.045 20 10 DGCDRN CCOC(=O)c1c(C)n[nH]c1CSc1ncc(Cl)s1 ZINC000850000159 632025849 /nfs/dbraw/zinc/02/58/49/632025849.db2.gz LGLPCYOZDWENPX-UHFFFAOYSA-N 0 0 317.823 3.297 20 10 DGCDRN Cc1c[nH]c(CNc2ccccc2OC[C@H]2CCCCO2)n1 ZINC000850209118 632080183 /nfs/dbraw/zinc/08/01/83/632080183.db2.gz NOGGARRRZQREFI-CQSZACIVSA-N 0 0 301.390 3.278 20 10 DGCDRN COc1cc(CNc2ccc(CO)cn2)c(O)c(C(C)(C)C)c1 ZINC000850300722 632107857 /nfs/dbraw/zinc/10/78/57/632107857.db2.gz BUCKLXFRMYVQQD-UHFFFAOYSA-N 0 0 316.401 3.198 20 10 DGCDRN C[C@@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1ccc(F)cc1[O-] ZINC000850486009 632167973 /nfs/dbraw/zinc/16/79/73/632167973.db2.gz QIFYIUQCUGINCJ-MRVPVSSYSA-N 0 0 315.270 3.191 20 10 DGCDRN C[C@H]([NH2+]C/C=C/CO)c1cc(Br)cc(Cl)c1[O-] ZINC000850508689 632175303 /nfs/dbraw/zinc/17/53/03/632175303.db2.gz NDDBJKPLYNZLIF-SGJFDWMWSA-N 0 0 320.614 3.007 20 10 DGCDRN CCn1cc(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])nn1 ZINC000850522268 632178046 /nfs/dbraw/zinc/17/80/46/632178046.db2.gz KUWNKNWWZHCJHN-MRVPVSSYSA-N 0 0 315.204 3.161 20 10 DGCDRN CC[C@@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1ccc(F)cc1[O-] ZINC000850532964 632183359 /nfs/dbraw/zinc/18/33/59/632183359.db2.gz QEOJNQNNPLEEIZ-YUELXQCFSA-N 0 0 315.335 3.386 20 10 DGCDRN C[C@H]([NH2+][C@@H]1COc2cc(F)ccc2C1)c1cc(F)cc(F)c1[O-] ZINC000850538096 632186093 /nfs/dbraw/zinc/18/60/93/632186093.db2.gz VQNYVEBQBHKXGI-ZANVPECISA-N 0 0 323.314 3.464 20 10 DGCDRN C[C@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1ccc(F)cc1[O-] ZINC000850548853 632188950 /nfs/dbraw/zinc/18/89/50/632188950.db2.gz APCOVSJBEYXRPW-NSHDSACASA-N 0 0 303.381 3.383 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850550995 632190050 /nfs/dbraw/zinc/19/00/50/632190050.db2.gz FXQPENNIUNFHNR-UFBFGSQYSA-N 0 0 300.305 3.242 20 10 DGCDRN CNC(=O)CC1(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CCCCC1 ZINC000850556601 632192158 /nfs/dbraw/zinc/19/21/58/632192158.db2.gz ROMICEKUPDMGOQ-ZDUSSCGKSA-N 0 0 322.424 3.269 20 10 DGCDRN C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000850583621 632202330 /nfs/dbraw/zinc/20/23/30/632202330.db2.gz MSGLHRLTGUIBDV-LYOVBCGYSA-N 0 0 307.340 3.443 20 10 DGCDRN C[C@H](O)[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000850585554 632203607 /nfs/dbraw/zinc/20/36/07/632203607.db2.gz ZICAIELZHGXLHW-NVGCLXPQSA-N 0 0 316.357 3.073 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1cnn(C)c1 ZINC000109986034 632405694 /nfs/dbraw/zinc/40/56/94/632405694.db2.gz VFPGMKARBQWDIE-UHFFFAOYSA-N 0 0 322.412 3.066 20 10 DGCDRN O=C(Nc1cccc(N2CCCC2)c1)c1ccc2n[nH]cc2c1 ZINC000110057507 632443680 /nfs/dbraw/zinc/44/36/80/632443680.db2.gz IOBUSTZCUNVWKO-UHFFFAOYSA-N 0 0 306.369 3.415 20 10 DGCDRN Cc1ccc([C@@H]2C[C@H]2C(=O)NCCc2ccc(N)cc2)cc1C ZINC000851631986 632462969 /nfs/dbraw/zinc/46/29/69/632462969.db2.gz IRHVIHTYHCOBMR-RBUKOAKNSA-N 0 0 308.425 3.348 20 10 DGCDRN Cc1cc(F)ccc1C[C@@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000851641653 632465302 /nfs/dbraw/zinc/46/53/02/632465302.db2.gz ODTYQKVGKGVHSP-CYBMUJFWSA-N 0 0 300.377 3.006 20 10 DGCDRN COc1ccc(N(C)CC(F)(F)Br)cc1OC ZINC000851735386 632479116 /nfs/dbraw/zinc/47/91/16/632479116.db2.gz VKGAMPUPZKZSNT-UHFFFAOYSA-N 0 0 310.138 3.128 20 10 DGCDRN CCCN(Cc1onc(C)c1[N+](=O)[O-])Cc1ccccc1O ZINC000851792477 632496448 /nfs/dbraw/zinc/49/64/48/632496448.db2.gz OYOMIBOZAMUDOW-UHFFFAOYSA-N 0 0 305.334 3.009 20 10 DGCDRN COc1ccc(N(C)Cc2ccc(F)cc2[N+](=O)[O-])c(OC)c1 ZINC000851864898 632511603 /nfs/dbraw/zinc/51/16/03/632511603.db2.gz NCNQGGJZHMLLOC-UHFFFAOYSA-N 0 0 320.320 3.388 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)NCCCC(C)C)C2)cc1 ZINC000851947332 632528011 /nfs/dbraw/zinc/52/80/11/632528011.db2.gz ZDEULQMEXKVYBX-HNNXBMFYSA-N 0 0 319.449 3.009 20 10 DGCDRN Cc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000184925889 660194778 /nfs/dbraw/zinc/19/47/78/660194778.db2.gz OKAAGVWQQFIVRL-LBPRGKRZSA-N 0 0 300.358 3.159 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2cccc(F)c2C)c1 ZINC000072600679 660204840 /nfs/dbraw/zinc/20/48/40/660204840.db2.gz FWVRTCHSLGBWLN-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN Cc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000072622209 660206280 /nfs/dbraw/zinc/20/62/80/660206280.db2.gz WTSJIVZLKPUVGG-OAHLLOKOSA-N 0 0 315.369 3.115 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c(C)n1-c1ccccc1C ZINC000156577438 658926546 /nfs/dbraw/zinc/92/65/46/658926546.db2.gz LSDXNOZKZPDEQJ-SUMDDJOVSA-N 0 0 324.424 3.452 20 10 DGCDRN CC(C)CCO[C@@H](C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000058770474 659106504 /nfs/dbraw/zinc/10/65/04/659106504.db2.gz JSIGXGVSWZZKTH-HNNXBMFYSA-N 0 0 318.461 3.136 20 10 DGCDRN C[C@]1(c2ccccc2)C[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC000180141078 659953661 /nfs/dbraw/zinc/95/36/61/659953661.db2.gz KZSXVLFVVMBIIR-GOSISDBHSA-N 0 0 301.361 3.279 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Cc2ccoc2)cc1F ZINC000185725074 660238420 /nfs/dbraw/zinc/23/84/20/660238420.db2.gz GAUHMVVBHPRGBG-UHFFFAOYSA-N 0 0 304.365 3.124 20 10 DGCDRN CCN(Cc1nc(COC(C)C)no1)c1ccc(OC)cc1 ZINC000929903382 661349022 /nfs/dbraw/zinc/34/90/22/661349022.db2.gz BZYFVQXEEBYQIU-UHFFFAOYSA-N 0 0 305.378 3.030 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCc3c2cccc3F)cc1 ZINC000185901880 660252502 /nfs/dbraw/zinc/25/25/02/660252502.db2.gz QBXWOKCGUGFIQR-UHFFFAOYSA-N 0 0 313.376 3.164 20 10 DGCDRN CC[C@H](NCc1ncccn1)c1cc(Br)ccc1O ZINC000702331303 660721803 /nfs/dbraw/zinc/72/18/03/660721803.db2.gz SYLHOXOPTBWGLW-LBPRGKRZSA-N 0 0 322.206 3.186 20 10 DGCDRN COC1CCC([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000703828216 660793038 /nfs/dbraw/zinc/79/30/38/660793038.db2.gz ZVLXESJZQFINAB-UHFFFAOYSA-N 0 0 314.223 3.202 20 10 DGCDRN CC[C@H]1CN(Cc2c(O)cccc2Br)[C@@H](C)CO1 ZINC000707143454 660887813 /nfs/dbraw/zinc/88/78/13/660887813.db2.gz SHQUEZHEJBJJKV-QWRGUYRKSA-N 0 0 314.223 3.154 20 10 DGCDRN CC[C@]1(C)COCCN1Cc1c(O)cccc1Br ZINC000707129707 660889764 /nfs/dbraw/zinc/88/97/64/660889764.db2.gz LLHLUCPAEBHIHP-CQSZACIVSA-N 0 0 314.223 3.156 20 10 DGCDRN COC[C@@H](C)C[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708098978 660918134 /nfs/dbraw/zinc/91/81/34/660918134.db2.gz NSXSGBHMLJKSDE-QMMMGPOBSA-N 0 0 322.630 3.180 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000708419365 660920887 /nfs/dbraw/zinc/92/08/87/660920887.db2.gz BWFKVKMTARKAKU-MRXNPFEDSA-N 0 0 318.367 3.035 20 10 DGCDRN CC(C)[C@@H]1CN(Cc2ccc(Br)cc2O)CCO1 ZINC000709000156 660923505 /nfs/dbraw/zinc/92/35/05/660923505.db2.gz KTOWUXXDIRPULP-AWEZNQCLSA-N 0 0 314.223 3.012 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccnc2ccncc21 ZINC000187059678 660943638 /nfs/dbraw/zinc/94/36/38/660943638.db2.gz YCUNLCCKKZTRPO-UHFFFAOYSA-N 0 0 321.380 3.388 20 10 DGCDRN CC(C)(C)C[C@H](NC(=O)c1cccc(O)c1O)C(F)(F)F ZINC000187220539 660970419 /nfs/dbraw/zinc/97/04/19/660970419.db2.gz XEZZZEOJSURUHL-JTQLQIEISA-N 0 0 305.296 3.195 20 10 DGCDRN CC[C@@H](C)CC[C@H](O)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000792878348 660991013 /nfs/dbraw/zinc/99/10/13/660991013.db2.gz QJSDBBFASOBZPC-QAPCUYQASA-N 0 0 320.477 3.288 20 10 DGCDRN CC[C@H](C)CC[C@@H](O)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000792878346 660990898 /nfs/dbraw/zinc/99/08/98/660990898.db2.gz QJSDBBFASOBZPC-MAUKXSAKSA-N 0 0 320.477 3.288 20 10 DGCDRN COc1ccc(CNC(=O)N[C@H]2C[C@H]2C2CCCCC2)c(O)c1 ZINC000792962087 660996858 /nfs/dbraw/zinc/99/68/58/660996858.db2.gz XEHJRXSFZAEIQM-HOTGVXAUSA-N 0 0 318.417 3.169 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H]2C[C@H]2C2CCCCC2)c(O)c1 ZINC000792962089 660996904 /nfs/dbraw/zinc/99/69/04/660996904.db2.gz XEHJRXSFZAEIQM-JKSUJKDBSA-N 0 0 318.417 3.169 20 10 DGCDRN COc1ccc(CNC(=O)NCC2(CC(C)C)CC2)c(O)c1 ZINC000792993016 660999079 /nfs/dbraw/zinc/99/90/79/660999079.db2.gz RDJITXZELDECHM-UHFFFAOYSA-N 0 0 306.406 3.026 20 10 DGCDRN Cc1c(NCc2ccc(N(C)C)cc2C(F)(F)F)cnn1C ZINC000793039707 661001515 /nfs/dbraw/zinc/00/15/15/661001515.db2.gz YAIXGWKJNVHHKG-UHFFFAOYSA-N 0 0 312.339 3.425 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c(O)c1 ZINC000793058780 661002818 /nfs/dbraw/zinc/00/28/18/661002818.db2.gz MNFKUSGXNPNMQA-GZBFAFLISA-N 0 0 318.417 3.169 20 10 DGCDRN CC[C@@H](C)[C@@H](OC)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000793107709 661005099 /nfs/dbraw/zinc/00/50/99/661005099.db2.gz PVOPVKJLTLAIAP-RHSMWYFYSA-N 0 0 306.450 3.210 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CC[C@H](C)C2)c1 ZINC000793274333 661019749 /nfs/dbraw/zinc/01/97/49/661019749.db2.gz SRRLLBILXMVIEZ-AVGNSLFASA-N 0 0 306.406 3.197 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCC2C(C)(C)C2(C)C)c1 ZINC000793309981 661023821 /nfs/dbraw/zinc/02/38/21/661023821.db2.gz WBTBNDLEPRDGSQ-NSHDSACASA-N 0 0 320.433 3.443 20 10 DGCDRN COc1cccc(CNC(=O)NCC2(C)CCC(C)CC2)c1O ZINC000793328507 661025124 /nfs/dbraw/zinc/02/51/24/661025124.db2.gz NYJJNCZRFHOOOY-UHFFFAOYSA-N 0 0 320.433 3.416 20 10 DGCDRN CCn1ncnc1CNCc1cc(C)n(-c2cccc(C)c2)c1C ZINC000793344757 661025810 /nfs/dbraw/zinc/02/58/10/661025810.db2.gz WBTYBNRABLVKSE-UHFFFAOYSA-N 0 0 323.444 3.304 20 10 DGCDRN CC[C@H](C)[C@@H](OC)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000793468327 661037457 /nfs/dbraw/zinc/03/74/57/661037457.db2.gz LESFZCIFRRUFEN-SUMWQHHRSA-N 0 0 324.440 3.349 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H]2CCCc3ccc(F)cc32)c(O)c1O ZINC000794055546 661066514 /nfs/dbraw/zinc/06/65/14/661066514.db2.gz JBZDQJVVKUTRNP-OAHLLOKOSA-N 0 0 315.344 3.353 20 10 DGCDRN COc1ccc(CNC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)c(O)c1 ZINC000794369562 661081020 /nfs/dbraw/zinc/08/10/20/661081020.db2.gz HTMCQSTXSWNQRK-GDBMZVCRSA-N 0 0 303.402 3.255 20 10 DGCDRN COc1ccc(CNC(=O)CSc2ccccc2C)c(O)c1 ZINC000794369468 661081162 /nfs/dbraw/zinc/08/11/62/661081162.db2.gz FXBGWOMISJRNEU-UHFFFAOYSA-N 0 0 317.410 3.118 20 10 DGCDRN COc1ccc(CNC(=O)Cc2ccc3ccccc3c2)c(O)c1 ZINC000794371245 661081306 /nfs/dbraw/zinc/08/13/06/661081306.db2.gz ZRRQHGNWRRNAMY-UHFFFAOYSA-N 0 0 321.376 3.413 20 10 DGCDRN O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1cccc(O)c1O ZINC000794373714 661081610 /nfs/dbraw/zinc/08/16/10/661081610.db2.gz YVLDTZMQHKKUCI-AULYBMBSSA-N 0 0 317.772 3.427 20 10 DGCDRN COc1ccc(CNC(=O)CSc2ccc(C)cc2)c(O)c1 ZINC000794377982 661081713 /nfs/dbraw/zinc/08/17/13/661081713.db2.gz OEQWUQASCPVSSV-UHFFFAOYSA-N 0 0 317.410 3.118 20 10 DGCDRN COc1ccc(CNC(=O)/C=C\SCc2ccco2)c(O)c1 ZINC000794378522 661081900 /nfs/dbraw/zinc/08/19/00/661081900.db2.gz USXFZMKMADHKSP-VURMDHGXSA-N 0 0 319.382 3.057 20 10 DGCDRN COc1ccc(CNC(=O)c2cccc3c(C)c(C)[nH]c32)c(O)c1 ZINC000794381827 661081903 /nfs/dbraw/zinc/08/19/03/661081903.db2.gz OVMKUHOBMDQEJR-UHFFFAOYSA-N 0 0 324.380 3.429 20 10 DGCDRN CC[C@H](OC1CCCCC1)C(=O)NCc1ccc(OC)cc1O ZINC000794386920 661082140 /nfs/dbraw/zinc/08/21/40/661082140.db2.gz AZRKTPGNDNVFOO-KRWDZBQOSA-N 0 0 321.417 3.145 20 10 DGCDRN COc1ccc(N(Cc2nnc(C(C)C)[nH]2)C(C)C)cc1F ZINC000794413438 661083520 /nfs/dbraw/zinc/08/35/20/661083520.db2.gz MFQPKDMHKGFJIO-UHFFFAOYSA-N 0 0 306.385 3.491 20 10 DGCDRN O=C(N[C@H]1CC[C@H](c2cccc(F)c2)C1)c1cccc(O)c1O ZINC000794279791 661076250 /nfs/dbraw/zinc/07/62/50/661076250.db2.gz KIIJSFBJMXFVPZ-JSGCOSHPSA-N 0 0 315.344 3.303 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cc2c(cn1)CCCC2 ZINC000794746385 661103840 /nfs/dbraw/zinc/10/38/40/661103840.db2.gz WUAJGTSUVSNYJK-SOFGYWHQSA-N 0 0 310.353 3.024 20 10 DGCDRN COc1ccc(CNC(=S)Nc2ccc(C)c(F)c2)c(O)c1 ZINC000795031587 661122884 /nfs/dbraw/zinc/12/28/84/661122884.db2.gz LZXVSCWQPLFPBG-UHFFFAOYSA-N 0 0 320.389 3.335 20 10 DGCDRN CC[C@@H]1OCC[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000795055221 661124588 /nfs/dbraw/zinc/12/45/88/661124588.db2.gz HKDJQFGZPAESBZ-MSOLQXFVSA-N 0 0 316.445 3.059 20 10 DGCDRN O=S(=O)(Nc1ccc(N=Nc2ccccc2)cc1)N1CCC1 ZINC000795276936 661137960 /nfs/dbraw/zinc/13/79/60/661137960.db2.gz VSTSJKUVURNPSS-UHFFFAOYSA-N 0 0 316.386 3.464 20 10 DGCDRN COCCOc1cccc(NCc2ccc(N(C)C)cc2)c1 ZINC000079724575 655611250 /nfs/dbraw/zinc/61/12/50/655611250.db2.gz UYPOXYLZZIDCJS-UHFFFAOYSA-N 0 0 300.402 3.390 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H](C)c1ccncc1 ZINC000160625784 655660912 /nfs/dbraw/zinc/66/09/12/655660912.db2.gz XMLQSQMBJJIDAM-OAHLLOKOSA-N 0 0 311.429 3.266 20 10 DGCDRN COc1ccc(CN[C@H]([C@@H]2CCOC2)C(F)(F)F)cc1C ZINC000933004328 655670095 /nfs/dbraw/zinc/67/00/95/655670095.db2.gz UKADAVBMXKYADI-TZMCWYRMSA-N 0 0 303.324 3.061 20 10 DGCDRN CCOc1ccc(CNc2cn(Cc3ccccc3)nn2)c(O)c1 ZINC000795805505 661173790 /nfs/dbraw/zinc/17/37/90/661173790.db2.gz HOPLWYFWTMQWEI-UHFFFAOYSA-N 0 0 324.384 3.043 20 10 DGCDRN COC(=O)c1ncc(NCc2cc(C)c(C)cc2O)cc1Cl ZINC000795807322 661173827 /nfs/dbraw/zinc/17/38/27/661173827.db2.gz BIPUVBNQVFQVCM-UHFFFAOYSA-N 0 0 320.776 3.456 20 10 DGCDRN CNC(=O)C[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1ccccc1 ZINC000795848854 661175988 /nfs/dbraw/zinc/17/59/88/661175988.db2.gz AQFXRANGZNOEEZ-WBMJQRKESA-N 0 0 316.376 3.059 20 10 DGCDRN CC[C@](C)(NC(=O)N[C@H](C)c1ccccc1O)C(F)(F)F ZINC000933507670 655716937 /nfs/dbraw/zinc/71/69/37/655716937.db2.gz YBINBEFRKOFZLK-RNCFNFMXSA-N 0 0 304.312 3.483 20 10 DGCDRN COc1cccc2c1CCCCN2C(=O)/C=C\c1cccnc1 ZINC000255374512 655720446 /nfs/dbraw/zinc/72/04/46/655720446.db2.gz QLXNTVRUNSKDMF-KHPPLWFESA-N 0 0 308.381 3.473 20 10 DGCDRN Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)/C=C/c1cncc(F)c1 ZINC000178228135 655722642 /nfs/dbraw/zinc/72/26/42/655722642.db2.gz YCMDNZMEDUQGCJ-BPJJOFIESA-N 0 0 312.344 3.356 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc3[nH]ccc32)c1 ZINC000176152293 655737924 /nfs/dbraw/zinc/73/79/24/655737924.db2.gz LEDBYJCZXRAGDL-LLVKDONJSA-N 0 0 310.353 3.373 20 10 DGCDRN COc1cccc(CNC(=O)/C=C\SCc2ccco2)c1O ZINC000255566817 655803305 /nfs/dbraw/zinc/80/33/05/655803305.db2.gz TYRFEQXARXCTQA-CLFYSBASSA-N 0 0 319.382 3.057 20 10 DGCDRN CN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cc(F)ccc1O ZINC000077472452 655824696 /nfs/dbraw/zinc/82/46/96/655824696.db2.gz YJQFEMWRWBZXGU-CQSZACIVSA-N 0 0 306.724 3.381 20 10 DGCDRN COC(=O)CNc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000052773299 655840068 /nfs/dbraw/zinc/84/00/68/655840068.db2.gz CTOZPGQSQZAJAL-UHFFFAOYSA-N 0 0 303.745 3.156 20 10 DGCDRN CC(C)CCO[C@H](C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000075159969 655852276 /nfs/dbraw/zinc/85/22/76/655852276.db2.gz INKRTSRMNWGPMT-CQSZACIVSA-N 0 0 319.445 3.338 20 10 DGCDRN Cc1cc(C(=O)N2CCO[C@@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000039538327 655855538 /nfs/dbraw/zinc/85/55/38/655855538.db2.gz ZVYYMMJBENATIK-ZDUSSCGKSA-N 0 0 316.376 3.094 20 10 DGCDRN O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1cccc(O)c1O ZINC000798008192 661187300 /nfs/dbraw/zinc/18/73/00/661187300.db2.gz BZJARNIYBTVJNQ-QWHCGFSZSA-N 0 0 303.745 3.037 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H](CO)CC1 ZINC000293856712 655877748 /nfs/dbraw/zinc/87/77/48/655877748.db2.gz BXBBLMOKRGORBJ-JTQLQIEISA-N 0 0 304.217 3.293 20 10 DGCDRN Cc1ccccc1/C=C1\SC(=S)N(Cc2ccon2)C1=O ZINC000178017665 655952769 /nfs/dbraw/zinc/95/27/69/655952769.db2.gz ZYLONPWLSZRLAK-JYRVWZFOSA-N 0 0 316.407 3.384 20 10 DGCDRN C[C@H]1CSC[C@@H]1[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715768157 661214468 /nfs/dbraw/zinc/21/44/68/661214468.db2.gz BWRKFSWABCGALW-CPCISQLKSA-N 0 0 320.227 3.135 20 10 DGCDRN C[C@H]1C[C@H]([NH2+]Cc2cc(Br)cc(F)c2[O-])CS1 ZINC000715768170 661214564 /nfs/dbraw/zinc/21/45/64/661214564.db2.gz CACVMFSXYQUIKQ-XVKPBYJWSA-N 0 0 320.227 3.277 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CCc2ccc3[nH]ccc3c2)cc1 ZINC000179587132 656085324 /nfs/dbraw/zinc/08/53/24/656085324.db2.gz LXVJOGQWNPLKEH-UHFFFAOYSA-N 0 0 321.424 3.483 20 10 DGCDRN CN(Cc1c[nH]nc1-c1ccccc1)c1ccc2c(c1)OCO2 ZINC000180760025 656094998 /nfs/dbraw/zinc/09/49/98/656094998.db2.gz VNYOGUQYLVOCEI-UHFFFAOYSA-N 0 0 307.353 3.442 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCCOCC1 ZINC000180984527 656096194 /nfs/dbraw/zinc/09/61/94/656096194.db2.gz SRVBTDOSMGIHKI-AWEZNQCLSA-N 0 0 318.442 3.455 20 10 DGCDRN CCCCCN1CC(=O)N[C@@H]1c1ccc(N2CCCCC2)cc1 ZINC000182324568 656104984 /nfs/dbraw/zinc/10/49/84/656104984.db2.gz IEPTZZKPLRLXNO-IBGZPJMESA-N 0 0 315.461 3.298 20 10 DGCDRN COc1cccc2[nH]cc(CC(=O)N(C)Cc3ccccc3O)c21 ZINC000182406997 656105394 /nfs/dbraw/zinc/10/53/94/656105394.db2.gz YLTRIWCQHMFNNT-UHFFFAOYSA-N 0 0 324.380 3.083 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H](C)CSC)cc1F ZINC000066841421 656147943 /nfs/dbraw/zinc/14/79/43/656147943.db2.gz DTPHBVJATPGAEZ-GFCCVEGCSA-N 0 0 312.454 3.287 20 10 DGCDRN CCc1cc(O)ccc1NS(=O)(=O)c1cc(C)cc(F)c1 ZINC000189428480 656154963 /nfs/dbraw/zinc/15/49/63/656154963.db2.gz LMXNWAPZKGKNCL-UHFFFAOYSA-N 0 0 309.362 3.203 20 10 DGCDRN CN(CC(=O)N1CCCC1)c1ccc(OCc2ccccc2)cc1 ZINC000189644984 656156297 /nfs/dbraw/zinc/15/62/97/656156297.db2.gz KWMDLKJPIYTXMW-UHFFFAOYSA-N 0 0 324.424 3.324 20 10 DGCDRN CC(C)Oc1ccc(N(C)CC(=O)N2CCCC[C@H]2C)cc1 ZINC000191586817 656170609 /nfs/dbraw/zinc/17/06/09/656170609.db2.gz OJHNYWHPTRKLBJ-OAHLLOKOSA-N 0 0 304.434 3.311 20 10 DGCDRN C[C@H](NC(=O)[C@@H]1CC12CCSCC2)c1ccc(N(C)C)cc1 ZINC000828862746 661232983 /nfs/dbraw/zinc/23/29/83/661232983.db2.gz YGPZPVFSAMWYNW-BBRMVZONSA-N 0 0 318.486 3.463 20 10 DGCDRN Cc1cccc2c1O[C@@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C2 ZINC000828860847 661233012 /nfs/dbraw/zinc/23/30/12/661233012.db2.gz IPDFAPYIGPLDIL-RDTXWAMCSA-N 0 0 324.424 3.242 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ncc(F)cc2F)cc1 ZINC000192194154 656176461 /nfs/dbraw/zinc/17/64/61/656176461.db2.gz LQVIOVLYYKSXMY-UHFFFAOYSA-N 0 0 319.355 3.136 20 10 DGCDRN Cc1cccc(F)c1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000194002793 656196459 /nfs/dbraw/zinc/19/64/59/656196459.db2.gz YINLNGYZEHHNLU-NSHDSACASA-N 0 0 318.348 3.298 20 10 DGCDRN COc1ccc(N2CCN(C(=O)C3C(C)(C)C3(C)C)CC2)cc1 ZINC000197907514 656238674 /nfs/dbraw/zinc/23/86/74/656238674.db2.gz NZVYOCDLDDHGLV-UHFFFAOYSA-N 0 0 316.445 3.026 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Nc2cc(C)on2)cc1F ZINC000066906930 656361465 /nfs/dbraw/zinc/36/14/65/656361465.db2.gz CXDUAYZWMYDGFF-UHFFFAOYSA-N 0 0 320.368 3.290 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1C=CCC1 ZINC000883833201 661257105 /nfs/dbraw/zinc/25/71/05/661257105.db2.gz XBJIESNRFCQYTK-HNNXBMFYSA-N 0 0 301.434 3.250 20 10 DGCDRN Cc1cc(C)[nH]c(=NNC(=S)Nc2cccc(Cl)c2C)n1 ZINC000007556698 656549523 /nfs/dbraw/zinc/54/95/23/656549523.db2.gz DHTRNRWLWAUYTD-UHFFFAOYSA-N 0 0 321.837 3.369 20 10 DGCDRN CC(C)(C)CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000054035562 656645611 /nfs/dbraw/zinc/64/56/11/656645611.db2.gz NTUZULRTPBDMLE-UHFFFAOYSA-N 0 0 306.475 3.292 20 10 DGCDRN c1n[nH]c2cc(NCc3ccc(N4CCOCC4)cc3)ccc12 ZINC000319868795 656801231 /nfs/dbraw/zinc/80/12/31/656801231.db2.gz VPKGUYRDZMXXJA-UHFFFAOYSA-N 0 0 308.385 3.012 20 10 DGCDRN CCOc1ccc(O)c(CN[C@H](C)c2nc(C(C)(C)C)no2)c1 ZINC000236851487 656900296 /nfs/dbraw/zinc/90/02/96/656900296.db2.gz OBNUCSRANKWZJF-LLVKDONJSA-N 0 0 319.405 3.322 20 10 DGCDRN O=C(Cc1ccsc1)NCc1ccc(N2CCCC2)cc1 ZINC000041365502 657074013 /nfs/dbraw/zinc/07/40/13/657074013.db2.gz JHOIZFIUZUHTKS-UHFFFAOYSA-N 0 0 300.427 3.207 20 10 DGCDRN Cc1ccc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)o1 ZINC000067247439 657078918 /nfs/dbraw/zinc/07/89/18/657078918.db2.gz VKGAALSBPWJXIS-UHFFFAOYSA-N 0 0 314.429 3.087 20 10 DGCDRN CC(C)[C@H](C)NC(=O)CSc1ncc(-c2ccccc2)n1C ZINC000005263893 657380502 /nfs/dbraw/zinc/38/05/02/657380502.db2.gz NHPDBHIBNLPRFA-ZDUSSCGKSA-N 0 0 317.458 3.340 20 10 DGCDRN CC[C@H](C)[C@](C)(O)C[NH2+]Cc1cccc(Br)c1[O-] ZINC000304033564 657589711 /nfs/dbraw/zinc/58/97/11/657589711.db2.gz GYJYEMAGRXSAEJ-IINYFYTJSA-N 0 0 316.239 3.041 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC[C@H](C)SC)cc1 ZINC000179113337 658141959 /nfs/dbraw/zinc/14/19/59/658141959.db2.gz OBFIPWSNUULCBG-ZDUSSCGKSA-N 0 0 309.479 3.084 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(F)cc1F ZINC000008117846 658211074 /nfs/dbraw/zinc/21/10/74/658211074.db2.gz NJGIXZUBZKZRJB-JYRVWZFOSA-N 0 0 308.353 3.421 20 10 DGCDRN Cc1nc(C)c(CN2CCOc3cc(N(C)C)ccc32)s1 ZINC000179272004 658394640 /nfs/dbraw/zinc/39/46/40/658394640.db2.gz OEIGDUBGNRPQIX-UHFFFAOYSA-N 0 0 303.431 3.225 20 10 DGCDRN CCC(CC)(C[NH2+]Cc1cccc(Br)c1[O-])OC ZINC000311044091 658697264 /nfs/dbraw/zinc/69/72/64/658697264.db2.gz PLHCQTYVPIYAKA-UHFFFAOYSA-N 0 0 316.239 3.450 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1ccccc1[N+](=O)[O-] ZINC000175030875 658851062 /nfs/dbraw/zinc/85/10/62/658851062.db2.gz AAGIRELZSKASBL-UHFFFAOYSA-N 0 0 313.357 3.060 20 10 DGCDRN CCCOc1ccc(CNC(=O)CSc2nccs2)cc1 ZINC000055410690 658927773 /nfs/dbraw/zinc/92/77/73/658927773.db2.gz DATJLOGTWHJIOJ-UHFFFAOYSA-N 0 0 322.455 3.340 20 10 DGCDRN CC(C)(C)c1cnc(SCCCCS(C)(=O)=O)s1 ZINC000164339591 658928805 /nfs/dbraw/zinc/92/88/05/658928805.db2.gz QSYFVWIHTBPZDI-UHFFFAOYSA-N 0 0 307.506 3.358 20 10 DGCDRN Cc1cc(C(=O)Nc2ccn(C)n2)c(C)n1-c1ccccc1C ZINC000055415448 658929914 /nfs/dbraw/zinc/92/99/14/658929914.db2.gz CRVVSUKJECJNDE-UHFFFAOYSA-N 0 0 308.385 3.388 20 10 DGCDRN CCc1cnc(CN(C)Cc2cc(C)cc(OC)c2O)s1 ZINC000164447318 658935042 /nfs/dbraw/zinc/93/50/42/658935042.db2.gz DDEKGZSYVBVDFO-UHFFFAOYSA-N 0 0 306.431 3.360 20 10 DGCDRN CCOc1ccc(N(C)Cc2csc(NC(C)=O)n2)cc1 ZINC000157311362 659047016 /nfs/dbraw/zinc/04/70/16/659047016.db2.gz NYPVJQCRWBAMJN-UHFFFAOYSA-N 0 0 305.403 3.137 20 10 DGCDRN Cc1cc(C(=O)N[C@@]2(C)CCOC2)c(C)n1-c1ccc(F)cc1 ZINC000157700480 659094425 /nfs/dbraw/zinc/09/44/25/659094425.db2.gz QRQUGSBXAMJHDQ-SFHVURJKSA-N 0 0 316.376 3.142 20 10 DGCDRN COc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)cc1 ZINC000058768498 659105620 /nfs/dbraw/zinc/10/56/20/659105620.db2.gz JDQYCUUQQSFJNZ-UHFFFAOYSA-N 0 0 310.397 3.008 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCc1nccs1 ZINC000060942181 659218932 /nfs/dbraw/zinc/21/89/32/659218932.db2.gz XHWXMNRYRIVFJX-UHFFFAOYSA-N 0 0 303.214 3.488 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(NC(N)=O)cc1)c1ccc(F)cc1[O-] ZINC000170789487 659237413 /nfs/dbraw/zinc/23/74/13/659237413.db2.gz ROZCOMNOGGVIFA-WDEREUQCSA-N 0 0 317.364 3.434 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](c1ccccc1)N(C)C)c1ccc(F)cc1[O-] ZINC000170788842 659238331 /nfs/dbraw/zinc/23/83/31/659238331.db2.gz SINXJPJXXJMTQT-GUYCJALGSA-N 0 0 302.393 3.485 20 10 DGCDRN O=C(/C=C/c1cncc(F)c1)N1CCCc2cc(F)c(F)cc21 ZINC000171447068 659280881 /nfs/dbraw/zinc/28/08/81/659280881.db2.gz ZZRZCLNQNINOPM-ONEGZZNKSA-N 0 0 318.298 3.492 20 10 DGCDRN COc1ccc(N(CC(=O)c2cccn2C)C(C)C)cc1F ZINC000171668514 659293562 /nfs/dbraw/zinc/29/35/62/659293562.db2.gz OSFYDXIBCWXSRL-UHFFFAOYSA-N 0 0 304.365 3.271 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2nc(C)c(C)s2)c1 ZINC000171720469 659295927 /nfs/dbraw/zinc/29/59/27/659295927.db2.gz NLTIYACZPQZBGX-SECBINFHSA-N 0 0 321.402 3.357 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2nc(C)c(C)s2)c1 ZINC000171720467 659295986 /nfs/dbraw/zinc/29/59/86/659295986.db2.gz NLTIYACZPQZBGX-VIFPVBQESA-N 0 0 321.402 3.357 20 10 DGCDRN CCn1cc(C=C2SC(Nc3ccccc3C)=NC2=O)cn1 ZINC000171805636 659299817 /nfs/dbraw/zinc/29/98/17/659299817.db2.gz PVYVDKUYWMCWLS-RIYZIHGNSA-N 0 0 312.398 3.294 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CC[C@@H]2CCCCO2)cc1 ZINC000171850474 659301980 /nfs/dbraw/zinc/30/19/80/659301980.db2.gz CNLGVTWYFUCWOU-SFHVURJKSA-N 0 0 318.461 3.498 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2ccc(Cl)cc2)c1 ZINC000172019662 659310688 /nfs/dbraw/zinc/31/06/88/659310688.db2.gz FQODAWYWNHOVBA-UHFFFAOYSA-N 0 0 306.749 3.376 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CCSC[C@@H]2C)cc1 ZINC000172357412 659331913 /nfs/dbraw/zinc/33/19/13/659331913.db2.gz GXZZLNJCNWONPL-AWEZNQCLSA-N 0 0 321.490 3.180 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)c3ccc(C)cc3)C2)cc1 ZINC000062574872 659336860 /nfs/dbraw/zinc/33/68/60/659336860.db2.gz GWVGUMXJDCYSFP-MRXNPFEDSA-N 0 0 324.424 3.260 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3ccc(C)cc3)C2)cc1 ZINC000062574870 659336926 /nfs/dbraw/zinc/33/69/26/659336926.db2.gz GWVGUMXJDCYSFP-INIZCTEOSA-N 0 0 324.424 3.260 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNC(=O)C3CCCCC3)C2)cc1 ZINC000062574831 659337181 /nfs/dbraw/zinc/33/71/81/659337181.db2.gz VTWKQTAIQPFODN-HNNXBMFYSA-N 0 0 316.445 3.218 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000230670685 659344833 /nfs/dbraw/zinc/34/48/33/659344833.db2.gz ZXSQYNSVLWIDLW-JOYOIKCWSA-N 0 0 304.217 3.340 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000230670689 659345481 /nfs/dbraw/zinc/34/54/81/659345481.db2.gz ZXSQYNSVLWIDLW-SKDRFNHKSA-N 0 0 304.217 3.340 20 10 DGCDRN C[C@H](C(=O)NCc1ccc(N(C)C)cc1)c1cccc(F)c1 ZINC000172697098 659349355 /nfs/dbraw/zinc/34/93/55/659349355.db2.gz LEWPMKMHENRUSV-ZDUSSCGKSA-N 0 0 300.377 3.312 20 10 DGCDRN CCc1cnc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)s1 ZINC000174219009 659420507 /nfs/dbraw/zinc/42/05/07/659420507.db2.gz VDRZEOINTOMADW-VIFPVBQESA-N 0 0 321.402 3.302 20 10 DGCDRN C[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(O)c1 ZINC000929527164 659465498 /nfs/dbraw/zinc/46/54/98/659465498.db2.gz FRJSLGJOWLHENK-CQSZACIVSA-N 0 0 312.413 3.220 20 10 DGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCC1(C)CC1 ZINC000929538039 659469121 /nfs/dbraw/zinc/46/91/21/659469121.db2.gz YWEISBVODCLVBE-UHFFFAOYSA-N 0 0 316.445 3.062 20 10 DGCDRN Cc1cc(S(=O)(=O)Nc2ccc(O)cc2C)cc(C)c1F ZINC000174728859 659544101 /nfs/dbraw/zinc/54/41/01/659544101.db2.gz SCZJAXXFFYJABM-UHFFFAOYSA-N 0 0 309.362 3.257 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1(C2CC2)CC1 ZINC000152319301 659582039 /nfs/dbraw/zinc/58/20/39/659582039.db2.gz HIBGDSVLJITORW-UHFFFAOYSA-N 0 0 315.461 3.474 20 10 DGCDRN CCS[C@H]1CCC[C@H](NC(=O)c2ccc(C)c(O)c2O)C1 ZINC000179536260 659932460 /nfs/dbraw/zinc/93/24/60/659932460.db2.gz KCNSOWFJUOGOAU-RYUDHWBXSA-N 0 0 309.431 3.200 20 10 DGCDRN O=C(OCc1ccccc1)[C@@H]1CCCN1Cc1ccccc1O ZINC000179556027 659933289 /nfs/dbraw/zinc/93/32/89/659933289.db2.gz AZRGOTDYLCYPEO-KRWDZBQOSA-N 0 0 311.381 3.100 20 10 DGCDRN CC[C@H](CSC)NC(=O)NCCCSc1nccs1 ZINC000179593838 659934176 /nfs/dbraw/zinc/93/41/76/659934176.db2.gz RFZJEMHXWLTNEN-SNVBAGLBSA-N 0 0 319.521 3.066 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](CC)CSC ZINC000179957740 659947699 /nfs/dbraw/zinc/94/76/99/659947699.db2.gz HQLMTRBUJFNWSE-AWEZNQCLSA-N 0 0 310.463 3.455 20 10 DGCDRN Nc1ccc(CCNC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)cc1 ZINC000237946913 659949962 /nfs/dbraw/zinc/94/99/62/659949962.db2.gz PPIFSMMJTJJJRZ-HOCLYGCPSA-N 0 0 316.351 3.009 20 10 DGCDRN CCCCCNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000068463027 659953445 /nfs/dbraw/zinc/95/34/45/659953445.db2.gz ZAKWJRUZNXXMEY-HNNXBMFYSA-N 0 0 319.449 3.074 20 10 DGCDRN C[C@H]1CN(Cc2cc(F)ccc2O)[C@H](c2ccccc2)CO1 ZINC000180198941 659955350 /nfs/dbraw/zinc/95/53/50/659955350.db2.gz XSUDRRDKMNUFOU-GUYCJALGSA-N 0 0 301.361 3.493 20 10 DGCDRN C[C@@H](NC(=O)C[C@@H]1C=CCC1)c1ccc(N2CCOCC2)cc1 ZINC000068512951 659955670 /nfs/dbraw/zinc/95/56/70/659955670.db2.gz AZVDVOBXPJUUPF-HZPDHXFCSA-N 0 0 314.429 3.057 20 10 DGCDRN CC[C@H](C)N(C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000068549187 659957007 /nfs/dbraw/zinc/95/70/07/659957007.db2.gz QHDNKFXIMRQOEX-LSDHHAIUSA-N 0 0 319.449 3.024 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCCc2ccccc21 ZINC000180628754 659965974 /nfs/dbraw/zinc/96/59/74/659965974.db2.gz ZASIVRACVUGVIF-SOGBHIHOSA-N 0 0 323.392 3.347 20 10 DGCDRN Cc1ccccc1C1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180740789 659969702 /nfs/dbraw/zinc/96/97/02/659969702.db2.gz KUTYCGKBOHPEIF-VQHVLOKHSA-N 0 0 323.392 3.267 20 10 DGCDRN COc1ccc(CN(C)c2ccc3c(c2)OCO3)cc1OC ZINC000180761724 659969862 /nfs/dbraw/zinc/96/98/62/659969862.db2.gz RBDGCNZBHMKEOL-UHFFFAOYSA-N 0 0 301.342 3.069 20 10 DGCDRN COCCOc1ccccc1CN(C)c1ccc(OC)c(F)c1 ZINC000180773779 659970492 /nfs/dbraw/zinc/97/04/92/659970492.db2.gz KSPYFWHIERZZON-UHFFFAOYSA-N 0 0 319.376 3.496 20 10 DGCDRN COc1c(C)ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1C ZINC000180921532 659974427 /nfs/dbraw/zinc/97/44/27/659974427.db2.gz RWQIAQJMJRTFIX-RMKNXTFCSA-N 0 0 313.353 3.375 20 10 DGCDRN COc1ccc(-n2c(C)cc(C(=O)Nc3ccn(C)n3)c2C)cc1 ZINC000069897342 660028608 /nfs/dbraw/zinc/02/86/08/660028608.db2.gz DKIIEJRZIQXXGL-UHFFFAOYSA-N 0 0 324.384 3.089 20 10 DGCDRN CCOc1cc(C)ccc1NC(=O)c1ccc(C)c(O)c1O ZINC000182138526 660035882 /nfs/dbraw/zinc/03/58/82/660035882.db2.gz LBQAEMCAIYFMGK-UHFFFAOYSA-N 0 0 301.342 3.366 20 10 DGCDRN CO[C@H](C)CNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000189105360 660044107 /nfs/dbraw/zinc/04/41/07/660044107.db2.gz LUNDSFOPOFWOSH-CQSZACIVSA-N 0 0 300.402 3.167 20 10 DGCDRN Cc1nn(-c2ccccc2)cc1NC(=O)c1ccc(C)c(O)c1O ZINC000182626880 660067882 /nfs/dbraw/zinc/06/78/82/660067882.db2.gz SPBQDCKOYJPJQD-UHFFFAOYSA-N 0 0 323.352 3.153 20 10 DGCDRN CCN(CC)c1ccc(CN[C@H](C)c2nccn2C)cc1F ZINC000182918789 660090905 /nfs/dbraw/zinc/09/09/05/660090905.db2.gz KGVZPBBRMUZPGS-CYBMUJFWSA-N 0 0 304.413 3.256 20 10 DGCDRN C[C@@H]([NH2+]CC1(N2CCSCC2)CCCC1)c1ccccc1O ZINC000183415222 660109855 /nfs/dbraw/zinc/10/98/55/660109855.db2.gz QTJVLLNPYCAVJV-OAHLLOKOSA-N 0 0 320.502 3.404 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2ccccc2o1 ZINC000183428944 660110556 /nfs/dbraw/zinc/11/05/56/660110556.db2.gz PRWOVICNKWQDJK-NSHDSACASA-N 0 0 311.337 3.205 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1nccc2ccccc21 ZINC000183459408 660115140 /nfs/dbraw/zinc/11/51/40/660115140.db2.gz UQAKDLFXQBGJLM-LBPRGKRZSA-N 0 0 322.364 3.007 20 10 DGCDRN COc1ccc(N(C)C[C@@H]2CC[C@H](C(F)(F)F)O2)cc1OC ZINC000929349137 661299964 /nfs/dbraw/zinc/29/99/64/661299964.db2.gz ZYJOHDXZGYZNDH-SMDDNHRTSA-N 0 0 319.323 3.250 20 10 DGCDRN COc1ccc(N(C)C[C@H]2CC[C@@H](C(F)(F)F)O2)cc1OC ZINC000929349136 661299966 /nfs/dbraw/zinc/29/99/66/661299966.db2.gz ZYJOHDXZGYZNDH-RISCZKNCSA-N 0 0 319.323 3.250 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@]2(C)CCOc3ccccc32)cc1 ZINC000929401225 661304471 /nfs/dbraw/zinc/30/44/71/661304471.db2.gz CIQBSXAJZFKBEC-HXUWFJFHSA-N 0 0 324.424 3.109 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)[C@]23CCO[C@H]2CCCC3)cc1 ZINC000929533371 661315307 /nfs/dbraw/zinc/31/53/07/661315307.db2.gz SFKLNWWMXLCEJD-PKOBYXMFSA-N 0 0 316.445 3.060 20 10 DGCDRN COC(=O)/C=C(/C)CN(Cc1ccco1)Cc1ccccc1O ZINC000929969833 661354725 /nfs/dbraw/zinc/35/47/25/661354725.db2.gz PEZBASKBRLBQJA-UVTDQMKNSA-N 0 0 315.369 3.107 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000930205557 661378089 /nfs/dbraw/zinc/37/80/89/661378089.db2.gz NCAUGPXFALVZCP-BKPSIGNASA-N 0 0 310.441 3.195 20 10 DGCDRN C[C@H](NC(=O)[C@]1(C)C=CCC1)c1ccc(N2CCOCC2)cc1 ZINC000930745222 661426825 /nfs/dbraw/zinc/42/68/25/661426825.db2.gz UCNWTHDYUCEEHO-HNAYVOBHSA-N 0 0 314.429 3.057 20 10 DGCDRN CCOc1ccc(N(CCc2nnc(C)o2)CC2CC2)cc1 ZINC000931378829 661472670 /nfs/dbraw/zinc/47/26/70/661472670.db2.gz FJHVPWARQPSGET-UHFFFAOYSA-N 0 0 301.390 3.236 20 10 DGCDRN Cc1cc(NC(=O)N2Cc3cccc(O)c3C2)nn1C(C)C ZINC000931779450 661507827 /nfs/dbraw/zinc/50/78/27/661507827.db2.gz BMSDKQXYGNHOFD-UHFFFAOYSA-N 0 0 300.362 3.026 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cnn(C)c1Cl ZINC000932412002 661567769 /nfs/dbraw/zinc/56/77/69/661567769.db2.gz VTGGHWCCPPDNKQ-UHFFFAOYSA-N 0 0 322.796 3.223 20 10 DGCDRN Cc1noc(C(C)C)c1NC(=O)N1Cc2cccc(O)c2C1 ZINC000932836352 661600781 /nfs/dbraw/zinc/60/07/81/661600781.db2.gz TUVLQJQQWRFAGW-UHFFFAOYSA-N 0 0 301.346 3.360 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@](C)(C2CC2)C(F)(F)F)c1 ZINC000933565360 661641276 /nfs/dbraw/zinc/64/12/76/661641276.db2.gz QSCQRIABFJTWOP-CQSZACIVSA-N 0 0 316.323 3.231 20 10 DGCDRN CCc1nc(OC)ccc1NC(=O)N[C@@H](C)c1ccccc1O ZINC000933932882 661667005 /nfs/dbraw/zinc/66/70/05/661667005.db2.gz LFWKRIXHFOESAU-NSHDSACASA-N 0 0 315.373 3.241 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cnn(C2CCC2)c1 ZINC000934706351 661728270 /nfs/dbraw/zinc/72/82/70/661728270.db2.gz JMMJJNNKXOQURA-UHFFFAOYSA-N 0 0 313.401 3.366 20 10 DGCDRN CC1=C(C)C[C@](C)(C(=O)NCCc2ccc(O)c(O)c2)CC1 ZINC000934939249 661750128 /nfs/dbraw/zinc/75/01/28/661750128.db2.gz QQIQKKJKHKTOHC-GOSISDBHSA-N 0 0 303.402 3.283 20 10 DGCDRN C[C@@H](NC(=O)[C@@H](C)c1cccc(O)c1)c1ccc(N(C)C)cc1 ZINC000935465835 661788187 /nfs/dbraw/zinc/78/81/87/661788187.db2.gz UFANMQWCVMZQRC-UONOGXRCSA-N 0 0 312.413 3.439 20 10 DGCDRN COc1cccc(CNC(=O)CCSc2ccccc2)c1O ZINC000155462301 661847008 /nfs/dbraw/zinc/84/70/08/661847008.db2.gz BDCFVQGFBODWSW-UHFFFAOYSA-N 0 0 317.410 3.199 20 10 DGCDRN Cc1c(NC(=O)N(C)Cc2ccccc2O)cccc1[N+](=O)[O-] ZINC000047345963 661875453 /nfs/dbraw/zinc/87/54/53/661875453.db2.gz SXBUHLUJQCJLBO-UHFFFAOYSA-N 0 0 315.329 3.273 20 10 DGCDRN O=C(CCSc1ccc(F)cc1)NCc1ccc(O)c(O)c1 ZINC000158930444 661880519 /nfs/dbraw/zinc/88/05/19/661880519.db2.gz MUYXUDXYEPAEIZ-UHFFFAOYSA-N 0 0 321.373 3.036 20 10 DGCDRN Cc1cc2[nH]c(C(=O)NCc3ccc(O)c(O)c3)cc2c(C)c1 ZINC000158980149 661881154 /nfs/dbraw/zinc/88/11/54/661881154.db2.gz ABBAWWHUAOLEMC-UHFFFAOYSA-N 0 0 310.353 3.126 20 10 DGCDRN CC(C)(C(=O)NCc1ccc(O)c(O)c1)c1cccc(Cl)c1 ZINC000159142043 661883028 /nfs/dbraw/zinc/88/30/28/661883028.db2.gz HSQKCXBMCGMQCR-UHFFFAOYSA-N 0 0 319.788 3.345 20 10 DGCDRN CCC(=O)Nc1ccc(C(=O)CSc2nccs2)cc1 ZINC000048874219 661896439 /nfs/dbraw/zinc/89/64/39/661896439.db2.gz WIBUJUUOWYBXCE-UHFFFAOYSA-N 0 0 306.412 3.467 20 10 DGCDRN CC[C@@H]1CO[C@@H](C)CN1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000048915884 661897423 /nfs/dbraw/zinc/89/74/23/661897423.db2.gz PHOSUMITCAMHFP-IINYFYTJSA-N 0 0 311.809 3.248 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(Cl)o1 ZINC000075159635 661917979 /nfs/dbraw/zinc/91/79/79/661917979.db2.gz IGNVMPFJRCAZCY-UHFFFAOYSA-N 0 0 305.761 3.447 20 10 DGCDRN Cc1cc(C(=O)NCCn2ccnc2)c(C)n1-c1ccccc1C ZINC000075862258 661954123 /nfs/dbraw/zinc/95/41/23/661954123.db2.gz ZMWLJCAWLIJWEM-UHFFFAOYSA-N 0 0 322.412 3.029 20 10 DGCDRN COc1cccc(NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000076275482 661976517 /nfs/dbraw/zinc/97/65/17/661976517.db2.gz ATACBTITLDBQSC-UHFFFAOYSA-N 0 0 312.413 3.268 20 10 DGCDRN COc1ccc(NCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000076275492 661976521 /nfs/dbraw/zinc/97/65/21/661976521.db2.gz WOBYZYSUOYWFEE-UHFFFAOYSA-N 0 0 312.413 3.268 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(F)ccc1F ZINC000190394208 662031237 /nfs/dbraw/zinc/03/12/37/662031237.db2.gz AQWGJVPQKDDBJP-VIFPVBQESA-N 0 0 322.311 3.129 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2CCC[C@H](C)CC2)c1 ZINC000190551780 662036055 /nfs/dbraw/zinc/03/60/55/662036055.db2.gz ALJAQHTYOHGCII-GXTWGEPZSA-N 0 0 306.406 3.169 20 10 DGCDRN Cc1cc(F)cc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000190979756 662050784 /nfs/dbraw/zinc/05/07/84/662050784.db2.gz XFKXFYPPVLQOSH-NSHDSACASA-N 0 0 318.348 3.298 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCCC2(C)C)c1 ZINC000078366028 662061768 /nfs/dbraw/zinc/06/17/68/662061768.db2.gz CVQWCWZLKKNJSU-NHYWBVRUSA-N 0 0 306.406 3.340 20 10 DGCDRN Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000191593588 662073636 /nfs/dbraw/zinc/07/36/36/662073636.db2.gz DRFZDYJUZUYPES-XJKSGUPXSA-N 0 0 303.377 3.094 20 10 DGCDRN CC(=O)CC(C)(C)CC(=O)NCCCSc1nccs1 ZINC000191847715 662082357 /nfs/dbraw/zinc/08/23/57/662082357.db2.gz DZDPPUDBMGERGL-UHFFFAOYSA-N 0 0 314.476 3.137 20 10 DGCDRN Cc1noc(C)c1/C=C1\SC(=S)N(c2cccnc2)C1=O ZINC000192775619 662110827 /nfs/dbraw/zinc/11/08/27/662110827.db2.gz IJXPWLVZQLFJKJ-SDQBBNPISA-N 0 0 317.395 3.092 20 10 DGCDRN O=C(Nc1ccc(CC(F)(F)F)cc1)c1cccc(O)c1O ZINC000193088991 662122288 /nfs/dbraw/zinc/12/22/88/662122288.db2.gz YWTWEQCWNBCYMC-UHFFFAOYSA-N 0 0 311.259 3.455 20 10 DGCDRN C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2cccc(O)c2O)C1 ZINC000193100909 662122761 /nfs/dbraw/zinc/12/27/61/662122761.db2.gz QRRKOBZETMEZLI-ABAIWWIYSA-N 0 0 315.344 3.460 20 10 DGCDRN C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2cccc(O)c2O)C1 ZINC000193100881 662122887 /nfs/dbraw/zinc/12/28/87/662122887.db2.gz QRRKOBZETMEZLI-IAQYHMDHSA-N 0 0 315.344 3.460 20 10 DGCDRN C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2cccc(O)c2O)C1 ZINC000193104488 662123243 /nfs/dbraw/zinc/12/32/43/662123243.db2.gz IYSHBOGNHBHEHA-ABAIWWIYSA-N 0 0 315.344 3.460 20 10 DGCDRN Cc1cc(CN2CCO[C@@H](C(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000193450383 662134537 /nfs/dbraw/zinc/13/45/37/662134537.db2.gz XOXIORDIWXLAES-CQSZACIVSA-N 0 0 313.388 3.464 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)/C=C/c2ccc(O)cc2)cc1 ZINC000193646536 662142802 /nfs/dbraw/zinc/14/28/02/662142802.db2.gz PUXLFGCNNKIFMB-MDWZMJQESA-N 0 0 310.397 3.130 20 10 DGCDRN CCCn1cc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)cn1 ZINC000080719628 662152107 /nfs/dbraw/zinc/15/21/07/662152107.db2.gz HSPSHFWHIARIEE-UHFFFAOYSA-N 0 0 323.400 3.348 20 10 DGCDRN C[C@@H](C1CC1)N(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000194167346 662159192 /nfs/dbraw/zinc/15/91/92/662159192.db2.gz YOXKGQRHBHHXCJ-AWEZNQCLSA-N 0 0 301.434 3.227 20 10 DGCDRN COCCN(Cc1ccccc1F)c1ccc(OC)c(OC)c1 ZINC000081155896 662161926 /nfs/dbraw/zinc/16/19/26/662161926.db2.gz FAHHQADNLPBSKW-UHFFFAOYSA-N 0 0 319.376 3.496 20 10 DGCDRN COc1ncccc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000037650371 662205545 /nfs/dbraw/zinc/20/55/45/662205545.db2.gz RFKJQXZARIKILU-UHFFFAOYSA-N 0 0 313.184 3.392 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cc(Cl)nc(Cl)c1 ZINC000038000186 662269621 /nfs/dbraw/zinc/26/96/21/662269621.db2.gz ATQLQDNXGQZYDX-UHFFFAOYSA-N 0 0 311.168 3.366 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1 ZINC000246718090 662272607 /nfs/dbraw/zinc/27/26/07/662272607.db2.gz MMVRQVOTTVNWJA-SLEUVZQESA-N 0 0 306.406 3.025 20 10 DGCDRN CCOc1ccc(O)c(CN2CCC[C@H]2C(=O)OC(C)(C)C)c1 ZINC000093102611 662344110 /nfs/dbraw/zinc/34/41/10/662344110.db2.gz SNFJEUDHFHWAEW-HNNXBMFYSA-N 0 0 321.417 3.097 20 10 DGCDRN CC[C@@H]1C[N@H+](Cc2cccc(Br)c2[O-])CCS1 ZINC000093502251 662355864 /nfs/dbraw/zinc/35/58/64/662355864.db2.gz YRWPDMZLNQJYFD-LLVKDONJSA-N 0 0 316.264 3.482 20 10 DGCDRN CCc1ccc([C@@H]2COCCN2Cc2cc(C)ccc2O)o1 ZINC000093459459 662355344 /nfs/dbraw/zinc/35/53/44/662355344.db2.gz NFYRDJADDRHGOJ-INIZCTEOSA-N 0 0 301.386 3.430 20 10 DGCDRN O=C(CSc1nccs1)c1cccc(N2CCCC2=O)c1 ZINC000133227782 685068630 /nfs/dbraw/zinc/06/86/30/685068630.db2.gz YKQBVCAFOWIMIR-UHFFFAOYSA-N 0 0 318.423 3.245 20 10 DGCDRN CCCCO[C@H](C)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000144993338 685084197 /nfs/dbraw/zinc/08/41/97/685084197.db2.gz XAEBUSSOUFOBMG-OAHLLOKOSA-N 0 0 306.450 3.354 20 10 DGCDRN CCCCO[C@@H](C)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000144993143 685084457 /nfs/dbraw/zinc/08/44/57/685084457.db2.gz XAEBUSSOUFOBMG-HNNXBMFYSA-N 0 0 306.450 3.354 20 10 DGCDRN Cn1ccc(/C=C2/SC(=S)N(Cc3cccs3)C2=O)c1 ZINC000160312717 685099860 /nfs/dbraw/zinc/09/98/60/685099860.db2.gz UBYRRCLTZNBIQK-KPKJPENVSA-N 0 0 320.464 3.488 20 10 DGCDRN COc1c(F)cc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1F ZINC000180685837 685111929 /nfs/dbraw/zinc/11/19/29/685111929.db2.gz HDPOLICNSSZVER-HWKANZROSA-N 0 0 321.279 3.037 20 10 DGCDRN CCC[C@H](C[NH2+]Cc1cccc(Br)c1[O-])OC ZINC000378689562 685144489 /nfs/dbraw/zinc/14/44/89/685144489.db2.gz HLNVKGUGQQOCHB-LLVKDONJSA-N 0 0 302.212 3.059 20 10 DGCDRN COc1ccc(NC(C)=O)cc1NCc1cccc(C)c1O ZINC000378965837 685147103 /nfs/dbraw/zinc/14/71/03/685147103.db2.gz UKWHHMIPKFTYDV-UHFFFAOYSA-N 0 0 300.358 3.280 20 10 DGCDRN CNC(=O)c1ccc(Cl)c(NCc2ccc(N(C)C)cc2)c1 ZINC000386323624 685178203 /nfs/dbraw/zinc/17/82/03/685178203.db2.gz WDGSRJPGJPGXMU-UHFFFAOYSA-N 0 0 317.820 3.378 20 10 DGCDRN CCOc1ccccc1NC[C@H](O)COc1cccc(C)c1 ZINC000386896157 685180776 /nfs/dbraw/zinc/18/07/76/685180776.db2.gz HWQXRRYWTQQEME-HNNXBMFYSA-N 0 0 301.386 3.246 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(N)c(C)c1 ZINC000389725389 685195150 /nfs/dbraw/zinc/19/51/50/685195150.db2.gz PLIPIKTUSJZRPG-UHFFFAOYSA-N 0 0 311.429 3.306 20 10 DGCDRN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc(N)cc1 ZINC001578230608 1191932872 /nfs/dbraw/zinc/93/28/72/1191932872.db2.gz CRWHBRNNWJASAW-FZMZJTMJSA-N 0 0 322.405 3.114 20 10 DGCDRN CCn1c(C(=O)NCCc2ccc(N)cc2)cc2ccccc21 ZINC001578340513 1191938794 /nfs/dbraw/zinc/93/87/94/1191938794.db2.gz QFQQUELWHHWHFB-UHFFFAOYSA-N 0 0 307.397 3.216 20 10 DGCDRN CN(C(=O)c1ccnc2c1CCN2)c1ccc(C(C)(C)C)cc1 ZINC001578391786 1191941468 /nfs/dbraw/zinc/94/14/68/1191941468.db2.gz NYJDBFNPBZCYNU-UHFFFAOYSA-N 0 0 309.413 3.163 20 10 DGCDRN COc1ccc(-c2ocnc2C(=O)N(C)c2ccc(N)cc2)cc1 ZINC001579185179 1191968479 /nfs/dbraw/zinc/96/84/79/1191968479.db2.gz CZXPINSMZQXWRE-UHFFFAOYSA-N 0 0 323.352 3.209 20 10 DGCDRN Nc1ccc(CCNC(=O)c2cc3ccccc3cc2O)cc1 ZINC001580443564 1192027083 /nfs/dbraw/zinc/02/70/83/1192027083.db2.gz QEIVEXJQDSRSFC-UHFFFAOYSA-N 0 0 306.365 3.100 20 10 DGCDRN Nc1ccc(CC(=O)N2CCc3c(Cl)cc(F)cc3C2)cc1 ZINC001580442698 1192027345 /nfs/dbraw/zinc/02/73/45/1192027345.db2.gz DHRZPVZCZBTYJK-UHFFFAOYSA-N 0 0 318.779 3.189 20 10 DGCDRN CC(=O)N(C)c1ccc(NCc2cc(F)cc(F)c2O)cc1 ZINC001620817452 1192141653 /nfs/dbraw/zinc/14/16/53/1192141653.db2.gz WORUDPGRKXJBQQ-UHFFFAOYSA-N 0 0 306.312 3.265 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)/C=C\c2ccccc2)cc1 ZINC001586649935 1192341280 /nfs/dbraw/zinc/34/12/80/1192341280.db2.gz SSXTZIPBBJTCIE-ZROIWOOFSA-N 0 0 324.424 3.303 20 10 DGCDRN Cc1ncccc1/C=C\C(=O)Nc1c2nonc2ccc1Cl ZINC001586677219 1192343655 /nfs/dbraw/zinc/34/36/55/1192343655.db2.gz PETRAUIRLOAQDJ-DAXSKMNVSA-N 0 0 314.732 3.232 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(P(C)(C)=O)cc1)c1ccccc1O ZINC001587447006 1192399890 /nfs/dbraw/zinc/39/98/90/1192399890.db2.gz GPTKCRSDQXQOAM-GFCCVEGCSA-N 0 0 317.325 3.131 20 10 DGCDRN COc1cccc2[nH]cc(CC(=O)N[C@H](C)c3ccccc3O)c21 ZINC001587447736 1192400961 /nfs/dbraw/zinc/40/09/61/1192400961.db2.gz ZZUKELCUUJOEIW-GFCCVEGCSA-N 0 0 324.380 3.302 20 10 DGCDRN COc1cc(C(=O)N[C@H](C)c2ccccc2O)c2ccccc2n1 ZINC001587447278 1192400983 /nfs/dbraw/zinc/40/09/83/1192400983.db2.gz NXRBLKZFSCMAFG-GFCCVEGCSA-N 0 0 322.364 3.440 20 10 DGCDRN CCNC(=O)c1cccc(NCc2cc(F)cc(F)c2O)c1 ZINC001620837425 1192407516 /nfs/dbraw/zinc/40/75/16/1192407516.db2.gz SWSFSOPMIUZEGC-UHFFFAOYSA-N 0 0 306.312 3.032 20 10 DGCDRN Cc1cc(CNC(=O)[C@@]2(C)CCCO2)c(C)n1-c1ccccc1 ZINC001587886152 1192423599 /nfs/dbraw/zinc/42/35/99/1192423599.db2.gz ITSZEZYPOMTUOE-LJQANCHMSA-N 0 0 312.413 3.279 20 10 DGCDRN Cc1cccc(C)c1CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001588073292 1192432322 /nfs/dbraw/zinc/43/23/22/1192432322.db2.gz WOTDKGYQUJGPJX-UHFFFAOYSA-N 0 0 324.384 3.438 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ncc(Cc2ccccc2)o1 ZINC001588156154 1192436115 /nfs/dbraw/zinc/43/61/15/1192436115.db2.gz NAMIRAKWYWZXPX-UHFFFAOYSA-N 0 0 322.364 3.243 20 10 DGCDRN Cc1cccc([C@H](O)C[NH2+]Cc2cc(Cl)cc(F)c2[O-])c1 ZINC001620854390 1192461282 /nfs/dbraw/zinc/46/12/82/1192461282.db2.gz DVDQVVQDGPAGQP-OAHLLOKOSA-N 0 0 309.768 3.316 20 10 DGCDRN Cn1ccc(C(=O)NCc2cccc(O)c2O)c1-c1ccccc1 ZINC001593744246 1192640258 /nfs/dbraw/zinc/64/02/58/1192640258.db2.gz LSEVURIVCLALRL-UHFFFAOYSA-N 0 0 322.364 3.033 20 10 DGCDRN O=C(NOc1ccccc1F)c1cc2cc(O)c(O)cc2s1 ZINC001594747518 1192648524 /nfs/dbraw/zinc/64/85/24/1192648524.db2.gz YIOROGASINAGHO-UHFFFAOYSA-N 0 0 319.313 3.175 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(Cl)[nH]1 ZINC001595611082 1192664371 /nfs/dbraw/zinc/66/43/71/1192664371.db2.gz AQIOLEVEJKQXJJ-UHFFFAOYSA-N 0 0 304.777 3.183 20 10 DGCDRN CSCc1cc(C(=O)NCc2c(O)cccc2F)ccc1F ZINC001596913052 1192710099 /nfs/dbraw/zinc/71/00/99/1192710099.db2.gz UQCPCYYKLQMWOY-UHFFFAOYSA-N 0 0 323.364 3.463 20 10 DGCDRN C[C@@H](NC(=O)Nc1nc(-c2ccccc2)no1)c1ccccc1O ZINC001670488506 1176149647 /nfs/dbraw/zinc/14/96/47/1176149647.db2.gz QQLGDJHFOHHBCT-LLVKDONJSA-N 0 0 324.340 3.325 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1c(F)cccc1Cl ZINC001670580496 1176182197 /nfs/dbraw/zinc/18/21/97/1176182197.db2.gz OMHSGRPZTUOKGD-UHFFFAOYSA-N 0 0 324.739 3.255 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H](C)C[C@@H](C)O ZINC001597435510 1192733412 /nfs/dbraw/zinc/73/34/12/1192733412.db2.gz LPTNDPUNQMSGSA-XJKSGUPXSA-N 0 0 314.429 3.292 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)[C@@H]1CCc2cccnc21 ZINC001597742767 1192745042 /nfs/dbraw/zinc/74/50/42/1192745042.db2.gz OWJCDHAMKJUQMK-MRXNPFEDSA-N 0 0 318.376 3.287 20 10 DGCDRN Cn1ncc(C2CC2)c1C(=O)NCc1c(O)ccc2ccccc21 ZINC001597742139 1192745218 /nfs/dbraw/zinc/74/52/18/1192745218.db2.gz GRNXGIKJOQUEJX-UHFFFAOYSA-N 0 0 321.380 3.086 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)[C@@H](O)C1CCCCC1 ZINC001597742187 1192745470 /nfs/dbraw/zinc/74/54/70/1192745470.db2.gz HUZAFKTVDYTCII-SFHVURJKSA-N 0 0 313.397 3.103 20 10 DGCDRN Cc1ccc(C(=O)NCc2c(O)ccc3ccccc32)nc1C ZINC001597741786 1192745506 /nfs/dbraw/zinc/74/55/06/1192745506.db2.gz BRSASTAFVOVXTP-UHFFFAOYSA-N 0 0 306.365 3.487 20 10 DGCDRN O=S(=O)(CC1CCCCC1)Nc1ccc(O)c(Cl)c1 ZINC000085204610 1177522181 /nfs/dbraw/zinc/52/21/81/1177522181.db2.gz VORAQEPIKQVPKT-UHFFFAOYSA-N 0 0 303.811 3.368 20 10 DGCDRN O=C(C=Cc1ccc(O)c(O)c1)Nc1cccc2[nH]c(=O)ccc12 ZINC001179687393 1177804805 /nfs/dbraw/zinc/80/48/05/1177804805.db2.gz LGNMZCCIYFUTNR-VMPITWQZSA-N 0 0 322.320 3.004 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCc1c(F)cc(F)cc1F ZINC001687545421 1177876285 /nfs/dbraw/zinc/87/62/85/1177876285.db2.gz PRLUKRHRTDEFKV-UHFFFAOYSA-N 0 0 324.302 3.151 20 10 DGCDRN CSc1cccc(NC(=O)N[C@@H](C)c2ccccc2O)n1 ZINC001671143109 1178046333 /nfs/dbraw/zinc/04/63/33/1178046333.db2.gz LGVOLQLBGJEGJA-JTQLQIEISA-N 0 0 303.387 3.392 20 10 DGCDRN CCN(Cc1ccccc1O)S(=O)(=O)c1ccc(C)cc1C ZINC001259100368 1178082716 /nfs/dbraw/zinc/08/27/16/1178082716.db2.gz UPZQSJCMZXAREO-UHFFFAOYSA-N 0 0 319.426 3.220 20 10 DGCDRN Cc1ccc(O)c(C[NH2+]Cc2cc(C(=O)[O-])c(C(C)C)[nH]2)c1 ZINC001600465193 1192857880 /nfs/dbraw/zinc/85/78/80/1192857880.db2.gz RMTPOFYOIKYNTM-UHFFFAOYSA-N 0 0 302.374 3.140 20 10 DGCDRN CC(C)c1nnc([C@H](C)NCc2cc(F)c(N(C)C)cc2F)[nH]1 ZINC001331504696 1178229085 /nfs/dbraw/zinc/22/90/85/1178229085.db2.gz QJGFRKLSISHZEO-JTQLQIEISA-N 0 0 323.391 3.123 20 10 DGCDRN C[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H]1C ZINC001333749194 1178667326 /nfs/dbraw/zinc/66/73/26/1178667326.db2.gz QNDFTXRXHLSUIR-ZJUUUORDSA-N 0 0 305.399 3.431 20 10 DGCDRN Cc1cc(F)ccc1[C@@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC001335591786 1178934478 /nfs/dbraw/zinc/93/44/78/1178934478.db2.gz UVBRYNWJJBDBPO-CYBMUJFWSA-N 0 0 315.392 3.319 20 10 DGCDRN CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc(N)cc1 ZINC001335730135 1178945733 /nfs/dbraw/zinc/94/57/33/1178945733.db2.gz JPBHRPWEGDHPNM-UHFFFAOYSA-N 0 0 313.401 3.009 20 10 DGCDRN Nc1ccc(CNC(=O)N2CCC(c3ccsc3)CC2)cc1 ZINC001335724685 1178945746 /nfs/dbraw/zinc/94/57/46/1178945746.db2.gz ISTRNRUFBFWWHA-UHFFFAOYSA-N 0 0 315.442 3.420 20 10 DGCDRN C[C@@H]1c2c(F)cccc2CCN1C(=O)NCc1ccc(N)cc1 ZINC001335736715 1178946926 /nfs/dbraw/zinc/94/69/26/1178946926.db2.gz GPIYDYFWTBPFSV-GFCCVEGCSA-N 0 0 313.376 3.237 20 10 DGCDRN CO[C@@H]1CCC[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001335890321 1178967702 /nfs/dbraw/zinc/96/77/02/1178967702.db2.gz XANLVTMOMXTNGZ-QZTJIDSGSA-N 0 0 316.445 3.108 20 10 DGCDRN CCn1c([C@@H]2CC=CCC2)nnc1N(C)Cc1ccccc1O ZINC001342670869 1179170908 /nfs/dbraw/zinc/17/09/08/1179170908.db2.gz NQZXOHUEOLMLIQ-CQSZACIVSA-N 0 0 312.417 3.464 20 10 DGCDRN CC(C)Cn1c(N(C)Cc2ccccc2O)nnc1C(C)(C)F ZINC001342856819 1179198609 /nfs/dbraw/zinc/19/86/09/1179198609.db2.gz RMMOGEJVJVASCF-UHFFFAOYSA-N 0 0 320.412 3.481 20 10 DGCDRN Cc1cccnc1[C@@H](NC(=O)Cc1ccc(N)cc1)C(C)(C)C ZINC001342926291 1179212039 /nfs/dbraw/zinc/21/20/39/1179212039.db2.gz DJVAFJXYPSFWAR-GOSISDBHSA-N 0 0 311.429 3.418 20 10 DGCDRN COc1ccc(C2(C(=O)NCc3ccc(N)cc3)CCC2)cc1 ZINC001343567978 1179298301 /nfs/dbraw/zinc/29/83/01/1179298301.db2.gz VKJAQLUTJXVYHR-UHFFFAOYSA-N 0 0 310.397 3.016 20 10 DGCDRN CCc1c(C(=O)NCc2ccc(N)cc2)cnn1C(CC)CC ZINC001346210493 1179671498 /nfs/dbraw/zinc/67/14/98/1179671498.db2.gz SXEOCBFGRCGZEH-UHFFFAOYSA-N 0 0 314.433 3.319 20 10 DGCDRN CCO[C@H](CCNC(=O)NCc1ccc(N)cc1)C1CCCC1 ZINC001346367492 1179690729 /nfs/dbraw/zinc/69/07/29/1179690729.db2.gz QRWABLYJOGAXPR-QGZVFWFLSA-N 0 0 319.449 3.053 20 10 DGCDRN Nc1ccc(CNC(=O)NC[C@H]2CCCCC(F)(F)C2)cc1 ZINC001346439490 1179702116 /nfs/dbraw/zinc/70/21/16/1179702116.db2.gz AENPGBIDYMCUSK-ZDUSSCGKSA-N 0 0 311.376 3.284 20 10 DGCDRN Nc1ccc(CNC(=O)N2Cc3ccccc3C3(CCC3)C2)cc1 ZINC001346738249 1179741411 /nfs/dbraw/zinc/74/14/11/1179741411.db2.gz FJZVQQNZPMDQKZ-UHFFFAOYSA-N 0 0 321.424 3.416 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cccnc1NC ZINC001347070527 1179774190 /nfs/dbraw/zinc/77/41/90/1179774190.db2.gz YGEPRYVZLYKDPN-UHFFFAOYSA-N 0 0 313.401 3.271 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc3ccncc3c2)cc1 ZINC001348912652 1179849873 /nfs/dbraw/zinc/84/98/73/1179849873.db2.gz YBSONJZTKXQKGB-UHFFFAOYSA-N 0 0 305.381 3.231 20 10 DGCDRN Cc1cc(C(=O)OCC2CSC2)c(C)n1-c1ccccn1 ZINC001348953127 1179855476 /nfs/dbraw/zinc/85/54/76/1179855476.db2.gz OVWVVACGEAXQIC-UHFFFAOYSA-N 0 0 302.399 3.009 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCC[C@@H](F)C1 ZINC001348957288 1179856839 /nfs/dbraw/zinc/85/68/39/1179856839.db2.gz FOSMVSZZTACFLD-JKSUJKDBSA-N 0 0 304.409 3.431 20 10 DGCDRN O=C(Cc1ccc(C2CCC2)cc1)NCc1ccc(O)c(O)c1 ZINC001349331634 1179894581 /nfs/dbraw/zinc/89/45/81/1179894581.db2.gz TYQLPUQNCXONTC-UHFFFAOYSA-N 0 0 311.381 3.224 20 10 DGCDRN Cc1cc(CC(=O)Nc2cnccn2)c(C)n1-c1ccccc1 ZINC001351306159 1180197492 /nfs/dbraw/zinc/19/74/92/1180197492.db2.gz LFPYTAVRIKASFS-UHFFFAOYSA-N 0 0 306.369 3.065 20 10 DGCDRN Cc1ccc(O)c(CNc2nc(C)nc(C)c2Br)c1 ZINC001351352317 1180203329 /nfs/dbraw/zinc/20/33/29/1180203329.db2.gz KCCRJKGWIBGBKE-UHFFFAOYSA-N 0 0 322.206 3.482 20 10 DGCDRN O=C(NCc1ccccc1O)c1oc(C2CC2)nc1C(F)F ZINC001351666937 1180235371 /nfs/dbraw/zinc/23/53/71/1180235371.db2.gz RVNZTAGJLRDRGP-UHFFFAOYSA-N 0 0 308.284 3.125 20 10 DGCDRN COc1cc(N(C)CCCC(F)(F)F)cc(OC)c1OC ZINC001351926161 1180263155 /nfs/dbraw/zinc/26/31/55/1180263155.db2.gz CLETYGKPBQZBTE-UHFFFAOYSA-N 0 0 307.312 3.491 20 10 DGCDRN O=C(NCc1cccc(O)c1O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001352657289 1180376132 /nfs/dbraw/zinc/37/61/32/1180376132.db2.gz BUJMCKFORFOVPU-ONGXEEELSA-N 0 0 317.307 3.083 20 10 DGCDRN Cc1ccccc1C1(C(=O)NCc2cccc(O)c2O)CCC1 ZINC001352658300 1180376329 /nfs/dbraw/zinc/37/63/29/1180376329.db2.gz RNFMSYMATCCPAR-UHFFFAOYSA-N 0 0 311.381 3.144 20 10 DGCDRN Nc1ccc(CNC(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC001353261977 1180512424 /nfs/dbraw/zinc/51/24/24/1180512424.db2.gz TYIWJHRFWWPVRA-YQQAZPJKSA-N 0 0 301.434 3.427 20 10 DGCDRN Nc1ccc(CNC(=O)N2CCC[C@H](C3CCC3)CC2)cc1 ZINC001353531310 1180581224 /nfs/dbraw/zinc/58/12/24/1180581224.db2.gz CYHYBJBHHFJWNU-INIZCTEOSA-N 0 0 301.434 3.381 20 10 DGCDRN CC1(C)C[C@@H](C(=O)NCc2c(O)ccc3c2CCCC3)CCO1 ZINC001353620203 1180607274 /nfs/dbraw/zinc/60/72/74/1180607274.db2.gz WZHNNDNBMFKBFU-AWEZNQCLSA-N 0 0 317.429 3.092 20 10 DGCDRN O=C(Cn1ccc2ccccc21)NCc1cc(Cl)ccc1O ZINC001300398576 1180640586 /nfs/dbraw/zinc/64/05/86/1180640586.db2.gz HDBFIVVFIMBZAW-UHFFFAOYSA-N 0 0 314.772 3.317 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1cc(Cl)ccc1O ZINC001300400969 1180642377 /nfs/dbraw/zinc/64/23/77/1180642377.db2.gz QWNVQGPRJUYAEB-UHFFFAOYSA-N 0 0 312.152 3.335 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CC[C@@H]1CCOC1 ZINC001353912443 1180682409 /nfs/dbraw/zinc/68/24/09/1180682409.db2.gz ZPLHNJMVQFLFEJ-QGZVFWFLSA-N 0 0 316.445 3.062 20 10 DGCDRN Cc1ncccc1/C=C\C(=O)N1C[C@H](C)C(=O)Nc2ccccc21 ZINC001353942693 1180689986 /nfs/dbraw/zinc/68/99/86/1180689986.db2.gz PCTUHUFRDQRZFF-XPSMFNQNSA-N 0 0 321.380 3.025 20 10 DGCDRN O=C1CN(C(=S)NCc2ccco2)Cc2ccc(Cl)cc21 ZINC001200565066 1180721287 /nfs/dbraw/zinc/72/12/87/1180721287.db2.gz HPJZSEAWFNJZBS-UHFFFAOYSA-N 0 0 320.801 3.006 20 10 DGCDRN CCOc1cccc(CNC(=S)Nc2cc(F)cc(F)c2)n1 ZINC001200684401 1180818307 /nfs/dbraw/zinc/81/83/07/1180818307.db2.gz XHPDGGOZGUOIKJ-UHFFFAOYSA-N 0 0 323.368 3.245 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cc(C)c(C)cn2)cc1 ZINC001354540306 1180830575 /nfs/dbraw/zinc/83/05/75/1180830575.db2.gz BDPDEKNFMXDIER-UHFFFAOYSA-N 0 0 311.429 3.475 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+]CCCOC(C)C)c1 ZINC001648693548 1195323191 /nfs/dbraw/zinc/32/31/91/1195323191.db2.gz HZJFXIMYODBXKJ-UHFFFAOYSA-N 0 0 316.239 3.368 20 10 DGCDRN CCSc1ccccc1CCNC(=O)Cc1ccc(N)cc1 ZINC001354931942 1180937699 /nfs/dbraw/zinc/93/76/99/1180937699.db2.gz PRAFMGMAWRPXEE-UHFFFAOYSA-N 0 0 314.454 3.282 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(F)ccc1F)c1cc(C(=O)[O-])ccc1O ZINC001604341911 1193066869 /nfs/dbraw/zinc/06/68/69/1193066869.db2.gz MOPYKWAZBZZIDZ-VIFPVBQESA-N 0 0 307.296 3.219 20 10 DGCDRN Cc1ccncc1/C=C\C(=O)N(C)c1cccnc1N1CCCC1 ZINC001355223292 1181013492 /nfs/dbraw/zinc/01/34/92/1181013492.db2.gz ODCOSVZEPQQXEE-FPLPWBNLSA-N 0 0 322.412 3.061 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc2c(c1)CCC2)c1cc(C(=O)[O-])ccc1O ZINC001604346884 1193067740 /nfs/dbraw/zinc/06/77/40/1193067740.db2.gz SZUZKMMNFBYOGF-LBPRGKRZSA-N 0 0 311.381 3.430 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(Cl)ncc2C)c1 ZINC001355301907 1181031817 /nfs/dbraw/zinc/03/18/17/1181031817.db2.gz NPIUIRAJNBEJHP-SNVBAGLBSA-N 0 0 320.776 3.249 20 10 DGCDRN C[C@H]([NH2+]Cc1nc(C2CC2)cs1)c1cc(C(=O)[O-])ccc1O ZINC001604348419 1193068468 /nfs/dbraw/zinc/06/84/68/1193068468.db2.gz GFOSOGDXHGQLDT-VIFPVBQESA-N 0 0 318.398 3.275 20 10 DGCDRN COc1ccc(C(=O)C2CC[NH+](Cc3ccc(N)cc3)CC2)cc1 ZINC001356083655 1181139022 /nfs/dbraw/zinc/13/90/22/1181139022.db2.gz WZHDDAVIHGPWAQ-UHFFFAOYSA-N 0 0 324.424 3.372 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@]1(C)CCCOC1 ZINC001356265099 1181167028 /nfs/dbraw/zinc/16/70/28/1181167028.db2.gz AISHYJCUJAMAMV-LJQANCHMSA-N 0 0 316.445 3.062 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1CCC(C)(C)CC1 ZINC001356276364 1181168524 /nfs/dbraw/zinc/16/85/24/1181168524.db2.gz GGPIWDYAICHVLN-UHFFFAOYSA-N 0 0 306.435 3.359 20 10 DGCDRN CC(C)(C)OC1CC(CCNC(=O)NCc2ccc(N)cc2)C1 ZINC001357375229 1181393463 /nfs/dbraw/zinc/39/34/63/1181393463.db2.gz PQWTZVGUCZADCU-UHFFFAOYSA-N 0 0 319.449 3.052 20 10 DGCDRN C[C@@H]1CN(C(=O)NCc2ccc(N)cc2)CCc2ccccc21 ZINC001357790641 1181427520 /nfs/dbraw/zinc/42/75/20/1181427520.db2.gz FIRGPCAKRKEWAV-CQSZACIVSA-N 0 0 309.413 3.140 20 10 DGCDRN CCOC(=O)c1cnc(NCc2cc(Cl)ccc2O)s1 ZINC001559230911 1181599403 /nfs/dbraw/zinc/59/94/03/1181599403.db2.gz FIQLTVGIEZVITD-UHFFFAOYSA-N 0 0 312.778 3.291 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@H]2C[C@@H]2C2CCCC2)cc1F ZINC001434913426 1181778342 /nfs/dbraw/zinc/77/83/42/1181778342.db2.gz AIYOPOLTWQIVGV-CABCVRRESA-N 0 0 304.409 3.334 20 10 DGCDRN C[C@@H](NC(=O)C[C@H]1Cc2ccccc2O1)c1ccc(N(C)C)cc1 ZINC001435954432 1181857537 /nfs/dbraw/zinc/85/75/37/1181857537.db2.gz XNEMHYQWDOHKBS-RDTXWAMCSA-N 0 0 324.424 3.324 20 10 DGCDRN CCc1ccc(N(CC2CC2)C(=O)/C=C\c2cnn(C)c2)cc1 ZINC001436309950 1181883561 /nfs/dbraw/zinc/88/35/61/1181883561.db2.gz IOTFFCHFKREMOH-FLIBITNWSA-N 0 0 309.413 3.439 20 10 DGCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H]2C[C@H]2C)CCCC1 ZINC001438172062 1181960202 /nfs/dbraw/zinc/96/02/02/1181960202.db2.gz RYQIDBWWZILIFI-MLGOLLRUSA-N 0 0 312.413 3.053 20 10 DGCDRN CC(C)N(CCc1ccccc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001442386589 1182081327 /nfs/dbraw/zinc/08/13/27/1182081327.db2.gz JJXUEGKOJFSELO-UHFFFAOYSA-N 0 0 313.397 3.120 20 10 DGCDRN CO[C@@H]1C[C@H]1C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC001442450506 1182082529 /nfs/dbraw/zinc/08/25/29/1182082529.db2.gz QRSXSXPMIOMBMC-QZTJIDSGSA-N 0 0 316.445 3.107 20 10 DGCDRN O=Cc1ccc(F)c(C(=O)NCCCSc2nccs2)c1 ZINC001443487179 1182101973 /nfs/dbraw/zinc/10/19/73/1182101973.db2.gz GEJASXAZDCMZDY-UHFFFAOYSA-N 0 0 324.402 3.007 20 10 DGCDRN CCc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1OC ZINC001449716769 1182232933 /nfs/dbraw/zinc/23/29/33/1182232933.db2.gz WCPUASGEJPTXCR-UITAMQMPSA-N 0 0 313.353 3.321 20 10 DGCDRN Cc1c(NC(=O)Cc2ccc(O)c(O)c2)cccc1-c1ncco1 ZINC001450498794 1182252115 /nfs/dbraw/zinc/25/21/15/1182252115.db2.gz QKISPGNQZDUJPS-UHFFFAOYSA-N 0 0 324.336 3.242 20 10 DGCDRN CCSc1ccccc1CC(=O)NCc1ccc(O)cc1O ZINC001451765295 1182275098 /nfs/dbraw/zinc/27/50/98/1182275098.db2.gz WUWFUQQGTLWNSZ-UHFFFAOYSA-N 0 0 317.410 3.069 20 10 DGCDRN COc1ccc(C(=O)NCc2ccc3cccnc3c2O)c(C)c1 ZINC001451959306 1182278090 /nfs/dbraw/zinc/27/80/90/1182278090.db2.gz WWXGRHLKJIXCBM-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN CCCN(C)c1ccc(C(=O)NCc2cc(C)ccc2O)cc1 ZINC001453653098 1182321877 /nfs/dbraw/zinc/32/18/77/1182321877.db2.gz UIKQDMHWWLUNII-UHFFFAOYSA-N 0 0 312.413 3.477 20 10 DGCDRN O=C(c1cc(F)c(F)c(F)c1F)N1Cc2cccc(O)c2C1 ZINC001455035768 1182358769 /nfs/dbraw/zinc/35/87/69/1182358769.db2.gz CCRDTCNLNRLZNR-UHFFFAOYSA-N 0 0 311.234 3.105 20 10 DGCDRN O=C(CSc1ccc(F)cc1)NCc1c(O)cccc1F ZINC001456102734 1182397863 /nfs/dbraw/zinc/39/78/63/1182397863.db2.gz UQAGWXLLTCZFPL-UHFFFAOYSA-N 0 0 309.337 3.079 20 10 DGCDRN Cc1cc(C(=O)NC2CSC2)c(C)n1-c1ccccc1C ZINC001456137539 1182398764 /nfs/dbraw/zinc/39/87/64/1182398764.db2.gz PQPKTLFOTYBIEL-UHFFFAOYSA-N 0 0 300.427 3.248 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC/C=C/Cl)c1 ZINC001456887764 1182434327 /nfs/dbraw/zinc/43/43/27/1182434327.db2.gz OOCBMHLSGJKWLG-QPJJXVBHSA-N 0 0 316.788 3.389 20 10 DGCDRN Cc1cc2nc(NC(=O)c3cccc(O)c3O)sc2cc1F ZINC001457077422 1182443177 /nfs/dbraw/zinc/44/31/77/1182443177.db2.gz APBWPWLFFHMZOR-UHFFFAOYSA-N 0 0 318.329 3.407 20 10 DGCDRN COC(=O)c1cc(OCCc2cccc(F)c2)ccc1N(C)C ZINC001459244634 1182576995 /nfs/dbraw/zinc/57/69/95/1182576995.db2.gz YCHYBLJAQMHFHL-UHFFFAOYSA-N 0 0 317.360 3.300 20 10 DGCDRN CSc1cccnc1C(=O)Nc1c2nonc2ccc1Cl ZINC001459789293 1182616385 /nfs/dbraw/zinc/61/63/85/1182616385.db2.gz QRGQSNZIHLZFEU-UHFFFAOYSA-N 0 0 320.761 3.245 20 10 DGCDRN CCc1cccc(C[N@H+](C)Cc2cc(C(=O)[O-])c(C)o2)c1O ZINC001605830336 1193177494 /nfs/dbraw/zinc/17/74/94/1193177494.db2.gz HJLVTVFKKPJWMV-UHFFFAOYSA-N 0 0 303.358 3.186 20 10 DGCDRN Oc1c(F)cc(F)cc1CNc1ccn(-c2ncccc2F)n1 ZINC001461351473 1182798148 /nfs/dbraw/zinc/79/81/48/1182798148.db2.gz IIYWVWQKDCAGCE-UHFFFAOYSA-N 0 0 320.274 3.002 20 10 DGCDRN COc1ccc(NCc2cc(Cl)cc(F)c2O)c(OC)n1 ZINC001461367665 1182801763 /nfs/dbraw/zinc/80/17/63/1182801763.db2.gz ZWPPPJOEHQFUTM-UHFFFAOYSA-N 0 0 312.728 3.209 20 10 DGCDRN CN(C)c1cc(F)c(CN2CCOc3ccccc3C2)cc1F ZINC001461911565 1182874986 /nfs/dbraw/zinc/87/49/86/1182874986.db2.gz ITVVOFZKIMWVPS-UHFFFAOYSA-N 0 0 318.367 3.425 20 10 DGCDRN CCOC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1O)C1CC1 ZINC001462119053 1182910515 /nfs/dbraw/zinc/91/05/15/1182910515.db2.gz GIUKOTIJJCMXRD-CQSZACIVSA-N 0 0 311.809 3.352 20 10 DGCDRN CC(C)[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C1(CO)CCCC1 ZINC001462317730 1182938853 /nfs/dbraw/zinc/93/88/53/1182938853.db2.gz XJKHXFMLSBPFDG-INIZCTEOSA-N 0 0 313.388 3.337 20 10 DGCDRN Cn1cc(CC[NH2+]Cc2ccc(F)c(F)c2[O-])c2ccccc21 ZINC001462437612 1182952786 /nfs/dbraw/zinc/95/27/86/1182952786.db2.gz HSGUYBSEAXYMDJ-UHFFFAOYSA-N 0 0 316.351 3.494 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC001462580639 1182971698 /nfs/dbraw/zinc/97/16/98/1182971698.db2.gz UEWXKDSVZSWZSD-UHFFFAOYSA-N 0 0 313.800 3.360 20 10 DGCDRN CN1CCCc2cc(C[NH2+]Cc3ccsc3C(=O)[O-])ccc21 ZINC001606230060 1193195282 /nfs/dbraw/zinc/19/52/82/1193195282.db2.gz NMDGGUHVOWIHTM-UHFFFAOYSA-N 0 0 316.426 3.119 20 10 DGCDRN CC(C)COc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001464300953 1183083148 /nfs/dbraw/zinc/08/31/48/1183083148.db2.gz RFPOFPGCZBZZAZ-UHFFFAOYSA-N 0 0 315.369 3.314 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2nccn2C(C)C)cc1 ZINC001464303292 1183083256 /nfs/dbraw/zinc/08/32/56/1183083256.db2.gz XKOSBWDVKIVGPY-UHFFFAOYSA-N 0 0 314.433 3.240 20 10 DGCDRN CN(Cc1cscn1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001464441138 1183092445 /nfs/dbraw/zinc/09/24/45/1183092445.db2.gz KZQPBQLCQPKPMO-UHFFFAOYSA-N 0 0 320.395 3.041 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)c1sccc1C(F)F ZINC001465981224 1183180811 /nfs/dbraw/zinc/18/08/11/1183180811.db2.gz FGVRFGOZINFWES-UHFFFAOYSA-N 0 0 313.325 3.069 20 10 DGCDRN CCOc1nc(C)ccc1C(=O)NCc1cccc(Cl)c1O ZINC001606869528 1193207279 /nfs/dbraw/zinc/20/72/79/1193207279.db2.gz VFDUPEJGZVKXJG-UHFFFAOYSA-N 0 0 320.776 3.078 20 10 DGCDRN C[S@](=O)(=NC(=O)C1=CC(=O)CS1)c1ccc(Cl)cc1 ZINC001607005498 1193209876 /nfs/dbraw/zinc/20/98/76/1193209876.db2.gz MYEIULWUEKUVKP-LJQANCHMSA-N 0 0 315.803 3.404 20 10 DGCDRN O=C(c1ccccc1-c1cn[nH]c1)N1CCc2ccc(F)cc21 ZINC001467686493 1183281548 /nfs/dbraw/zinc/28/15/48/1183281548.db2.gz XKEVMBUAXXPHNM-UHFFFAOYSA-N 0 0 307.328 3.419 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@H]2CCCC3(CC3)C2)cc1F ZINC001468353683 1183327330 /nfs/dbraw/zinc/32/73/30/1183327330.db2.gz BCCUJQRHKGJHNL-AWEZNQCLSA-N 0 0 319.424 3.414 20 10 DGCDRN O=C(N[C@H]1CCCc2c(F)cc(F)cc21)c1cccc(O)c1O ZINC001468493977 1183337719 /nfs/dbraw/zinc/33/77/19/1183337719.db2.gz IFTNKXNZZUNKNN-AWEZNQCLSA-N 0 0 319.307 3.183 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2cc(C3CC3)ccn2)cc1 ZINC001468615473 1183346225 /nfs/dbraw/zinc/34/62/25/1183346225.db2.gz CQGORGOQMJJNOA-UHFFFAOYSA-N 0 0 309.329 3.374 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C1CC1)C1CCC1 ZINC001468744864 1183355142 /nfs/dbraw/zinc/35/51/42/1183355142.db2.gz XGSYNJQWQPWGGN-GOSISDBHSA-N 0 0 315.461 3.439 20 10 DGCDRN CC(C)[C@@]1(C)C[C@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001468806865 1183360959 /nfs/dbraw/zinc/36/09/59/1183360959.db2.gz BCIBEODESPBHCF-GDBMZVCRSA-N 0 0 305.399 3.477 20 10 DGCDRN CCOc1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1 ZINC001469247591 1183394455 /nfs/dbraw/zinc/39/44/55/1183394455.db2.gz CNZSBXXXHQXVEH-UHFFFAOYSA-N 0 0 322.364 3.269 20 10 DGCDRN COc1ccc(N(C)C(=O)c2ccccc2-c2cn[nH]c2)cc1 ZINC001469822567 1183441247 /nfs/dbraw/zinc/44/12/47/1183441247.db2.gz RODADURYYJJPRU-UHFFFAOYSA-N 0 0 307.353 3.362 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC/C=C\C1CC1 ZINC001470343814 1183480125 /nfs/dbraw/zinc/48/01/25/1183480125.db2.gz QZDXHWYUTGTXHA-YVACAVLKSA-N 0 0 315.461 3.257 20 10 DGCDRN COc1cccc2[nH]c(C(=O)N3Cc4cccc(O)c4C3)cc21 ZINC001471355826 1183558648 /nfs/dbraw/zinc/55/86/48/1183558648.db2.gz WQMGTBZUTUCGRX-UHFFFAOYSA-N 0 0 308.337 3.038 20 10 DGCDRN Nc1c(C(=O)N2Cc3cccc(O)c3C2)cccc1C(F)(F)F ZINC001471355734 1183558808 /nfs/dbraw/zinc/55/88/08/1183558808.db2.gz SOUZGVSDBDGGCB-UHFFFAOYSA-N 0 0 322.286 3.149 20 10 DGCDRN CC(C)(CC(=O)NCc1cc(O)ccc1O)c1ccc(F)cc1 ZINC001471662284 1183580646 /nfs/dbraw/zinc/58/06/46/1183580646.db2.gz XKJNTVBRALFNBV-UHFFFAOYSA-N 0 0 317.360 3.221 20 10 DGCDRN O=C(NCc1c(O)cccc1O)[C@H]1C[C@]12CCCc1ccccc12 ZINC001472064347 1183613449 /nfs/dbraw/zinc/61/34/49/1183613449.db2.gz VDJQFMUNGRGNMC-UZLBHIALSA-N 0 0 323.392 3.008 20 10 DGCDRN O=C(NCc1c(O)cccc1O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC001472064344 1183613763 /nfs/dbraw/zinc/61/37/63/1183613763.db2.gz VDJQFMUNGRGNMC-OXQOHEQNSA-N 0 0 323.392 3.008 20 10 DGCDRN O=C(CCOc1cccc(F)c1)NCc1cccc(Cl)c1O ZINC001472315910 1183634306 /nfs/dbraw/zinc/63/43/06/1183634306.db2.gz ILPXEYNGTTXXNR-UHFFFAOYSA-N 0 0 323.751 3.270 20 10 DGCDRN O=C(Cc1ccc(F)cc1F)NCc1cccc(Cl)c1O ZINC001472316742 1183634533 /nfs/dbraw/zinc/63/45/33/1183634533.db2.gz FWQYCQCDGARKAR-UHFFFAOYSA-N 0 0 311.715 3.183 20 10 DGCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@@H](O)C(F)(F)F ZINC001473570047 1183774947 /nfs/dbraw/zinc/77/49/47/1183774947.db2.gz NQTQHDUAIAGBNQ-SWLSCSKDSA-N 0 0 317.351 3.253 20 10 DGCDRN CCOc1ccc(N(C/C=C(\C)C(=O)OC)CC2CC2)cc1 ZINC001473717206 1183793045 /nfs/dbraw/zinc/79/30/45/1183793045.db2.gz AFCOKAWOJDAVKK-SDNWHVSQSA-N 0 0 303.402 3.421 20 10 DGCDRN CCOc1ccc(N(C[C@H](O)C(F)(F)F)CC2CC2)cc1 ZINC001473718632 1183793318 /nfs/dbraw/zinc/79/33/18/1183793318.db2.gz TVMQRSXPKFRNDS-AWEZNQCLSA-N 0 0 303.324 3.225 20 10 DGCDRN O=C1CCc2cc(NCc3cc(F)cc(F)c3O)ccc2N1 ZINC001473946675 1183834387 /nfs/dbraw/zinc/83/43/87/1183834387.db2.gz WLSICMGTQBEMCR-UHFFFAOYSA-N 0 0 304.296 3.167 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC001473983953 1183844022 /nfs/dbraw/zinc/84/40/22/1183844022.db2.gz LCPUSQRWJBCXEV-ZDUSSCGKSA-N 0 0 307.752 3.278 20 10 DGCDRN Oc1c(F)cc(F)cc1CNc1cccc(-n2ccnc2)c1 ZINC001474063655 1183860312 /nfs/dbraw/zinc/86/03/12/1183860312.db2.gz YWEVXGUUCCKEIE-UHFFFAOYSA-N 0 0 301.296 3.468 20 10 DGCDRN Cc1noc([C@H](NC/C=C/c2ccc(N(C)C)cc2)C(C)C)n1 ZINC001474306309 1183902355 /nfs/dbraw/zinc/90/23/55/1183902355.db2.gz ARLXKYCGOBTZEJ-DKRLNXSXSA-N 0 0 314.433 3.444 20 10 DGCDRN Cc1noc([C@H](NC/C=C\c2ccc(N(C)C)cc2)C(C)C)n1 ZINC001474306310 1183902430 /nfs/dbraw/zinc/90/24/30/1183902430.db2.gz ARLXKYCGOBTZEJ-JTGQJZMRSA-N 0 0 314.433 3.444 20 10 DGCDRN CCN(CC)c1ccc(CN(C)Cc2nc(CO)cs2)cc1 ZINC001474398166 1183915855 /nfs/dbraw/zinc/91/58/55/1183915855.db2.gz ARSGMHFWARJURE-UHFFFAOYSA-N 0 0 319.474 3.114 20 10 DGCDRN COC(=O)c1ccc2c(c1)CCN2Cc1cc(F)cc(F)c1O ZINC001474463539 1183925352 /nfs/dbraw/zinc/92/53/52/1183925352.db2.gz RTBFCJWQGJQJPF-UHFFFAOYSA-N 0 0 319.307 3.020 20 10 DGCDRN CCCOc1ccc(CN[C@@H](CC(C)C)C(=O)OC)cc1C ZINC001474685837 1183961745 /nfs/dbraw/zinc/96/17/45/1183961745.db2.gz DMEDUIWRWBFEQD-INIZCTEOSA-N 0 0 307.434 3.461 20 10 DGCDRN CCc1cccc(CNc2cccc(N3C(=O)CCC3=O)c2)c1O ZINC001474752329 1183972318 /nfs/dbraw/zinc/97/23/18/1183972318.db2.gz JOWDJGJYVGUXPV-UHFFFAOYSA-N 0 0 324.380 3.220 20 10 DGCDRN COc1cc(F)cc(NC(=O)NCc2cc(C)ccc2O)c1 ZINC001476282944 1184034457 /nfs/dbraw/zinc/03/44/57/1184034457.db2.gz WPWHQPKTRQXFBJ-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)Nc1ccn2ccnc2c1 ZINC001476534939 1184042285 /nfs/dbraw/zinc/04/22/85/1184042285.db2.gz CXQPYUUVZGZTNT-UHFFFAOYSA-N 0 0 316.748 3.015 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCCc2c[nH]c3ccccc23)c1 ZINC001477269572 1184077748 /nfs/dbraw/zinc/07/77/48/1184077748.db2.gz NMHABWIPYLQOPV-UHFFFAOYSA-N 0 0 323.396 3.224 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N[C@]34C[C@H]3CCCC4)ccc21 ZINC001477635672 1184103470 /nfs/dbraw/zinc/10/34/70/1184103470.db2.gz RQVKPMCITYINFQ-VQIMIIECSA-N 0 0 313.445 3.201 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CC3CCC2CC3)cc1F ZINC001477651365 1184103935 /nfs/dbraw/zinc/10/39/35/1184103935.db2.gz AERPPXSDIDRRQH-LDZOIKDWSA-N 0 0 319.424 3.270 20 10 DGCDRN C[C@H](NC(=O)NCCc1ccc(F)c(F)c1)c1ccccc1O ZINC001478445368 1184153021 /nfs/dbraw/zinc/15/30/21/1184153021.db2.gz BGBQRMHNJSKALM-NSHDSACASA-N 0 0 320.339 3.273 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC/C=C/Cl ZINC001478840991 1184180602 /nfs/dbraw/zinc/18/06/02/1184180602.db2.gz MWYCQQWIZGVWGX-OQHXTRMZSA-N 0 0 309.841 3.044 20 10 DGCDRN O=C([O-])CCCC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC001608712513 1193301041 /nfs/dbraw/zinc/30/10/41/1193301041.db2.gz HOYKILYIEQOABZ-UHFFFAOYSA-N 0 0 303.358 3.242 20 10 DGCDRN O=C([O-])[C@]12CCC[C@H]1C[N@@H+](Cc1ccc3ccccc3c1O)C2 ZINC001608824555 1193305724 /nfs/dbraw/zinc/30/57/24/1193305724.db2.gz AQUNUZAHYOLBKR-KXBFYZLASA-N 0 0 311.381 3.232 20 10 DGCDRN C[C@@H]([NH2+]CCCOc1ccccc1)c1cc(C(=O)[O-])ccc1O ZINC001609779756 1193356022 /nfs/dbraw/zinc/35/60/22/1193356022.db2.gz NRTNTQZMMDOVND-CYBMUJFWSA-N 0 0 315.369 3.210 20 10 DGCDRN C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001609755260 1193354319 /nfs/dbraw/zinc/35/43/19/1193354319.db2.gz YTNCTARQIGXANQ-RYUDHWBXSA-N 0 0 315.369 3.078 20 10 DGCDRN C[C@@H]([NH2+][C@H](C(=O)[O-])c1ccsc1)c1ccc(N(C)C)cc1 ZINC001609778266 1193355445 /nfs/dbraw/zinc/35/54/45/1193355445.db2.gz YKHCGBQDGBZDPJ-ABAIWWIYSA-N 0 0 304.415 3.291 20 10 DGCDRN COc1ccc(C[NH2+][C@@H]2CCC[C@H](CCCC(=O)[O-])C2)c(O)c1 ZINC001610335782 1193383032 /nfs/dbraw/zinc/38/30/32/1193383032.db2.gz LMPLJTYEBMCRDS-UKRRQHHQSA-N 0 0 321.417 3.304 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]CCC(C)(C)C(=O)[O-] ZINC001610466374 1193390599 /nfs/dbraw/zinc/39/05/99/1193390599.db2.gz KJJGXHGKVPATMA-CQSZACIVSA-N 0 0 306.450 3.083 20 10 DGCDRN Cc1cc(O)c(C[NH2+][C@H](C)c2ncc(C(=O)[O-])s2)cc1C ZINC001610475356 1193391503 /nfs/dbraw/zinc/39/15/03/1193391503.db2.gz BWUPBFCVMGHFSS-SNVBAGLBSA-N 0 0 306.387 3.015 20 10 DGCDRN Cc1ccncc1[C@H](C)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001610537072 1193397206 /nfs/dbraw/zinc/39/72/06/1193397206.db2.gz WTLFYBHOLYARPJ-RYUDHWBXSA-N 0 0 300.358 3.206 20 10 DGCDRN COc1ccc(N(C)C(=O)/C(C)=C/c2cccnc2)cc1F ZINC001518051743 1186830154 /nfs/dbraw/zinc/83/01/54/1186830154.db2.gz GIDLFQHAGNHHKB-FMIVXFBMSA-N 0 0 300.333 3.296 20 10 DGCDRN CC1(C)C[C@@H](C(=O)Nc2c3nonc3ccc2Cl)CCO1 ZINC001518062339 1186831252 /nfs/dbraw/zinc/83/12/52/1186831252.db2.gz SGPKOARAPOCXPV-QMMMGPOBSA-N 0 0 309.753 3.020 20 10 DGCDRN CCOc1cc(N[C@@H](C)Cc2ccc(N(C)C)cc2C)ncn1 ZINC001612500512 1193452973 /nfs/dbraw/zinc/45/29/73/1193452973.db2.gz JOTXYWKOTWUVMH-AWEZNQCLSA-N 0 0 314.433 3.293 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NC[C@@H]1C[C@H]1C1CCCC1 ZINC001521349526 1187016862 /nfs/dbraw/zinc/01/68/62/1187016862.db2.gz KBLNQECYJUPOMQ-HOTGVXAUSA-N 0 0 302.418 3.360 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1CCOCC12CCCC2)c1ccccc1O ZINC001523700735 1187180931 /nfs/dbraw/zinc/18/09/31/1187180931.db2.gz RZIIDTOCTCSMNU-XJKSGUPXSA-N 0 0 318.417 3.102 20 10 DGCDRN CCC[C@H](OC)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001525113883 1187296839 /nfs/dbraw/zinc/29/68/39/1187296839.db2.gz SKZOUFFDIWFZGL-KRWDZBQOSA-N 0 0 304.434 3.060 20 10 DGCDRN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CC1(C)C ZINC001546421584 1187366299 /nfs/dbraw/zinc/36/62/99/1187366299.db2.gz KRUWMQQWXLFXBS-CQSZACIVSA-N 0 0 314.433 3.229 20 10 DGCDRN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)/C=C\c1cccnc1C)CC2 ZINC001526959661 1187401716 /nfs/dbraw/zinc/40/17/16/1187401716.db2.gz VSBSRCRGKNBCNS-WAYWQWQTSA-N 0 0 323.352 3.209 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCC[C@H](C)C2)cc1 ZINC001527594695 1187438072 /nfs/dbraw/zinc/43/80/72/1187438072.db2.gz DSDGNIXAOSLNEY-HOTGVXAUSA-N 0 0 318.461 3.416 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCC[C@H](C)C2)cc1 ZINC001527594697 1187438320 /nfs/dbraw/zinc/43/83/20/1187438320.db2.gz DSDGNIXAOSLNEY-JKSUJKDBSA-N 0 0 318.461 3.416 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2CC[C@H](C)O2)cc1 ZINC001527731996 1187445549 /nfs/dbraw/zinc/44/55/49/1187445549.db2.gz GWYPOGKVGZETSS-YJBOKZPZSA-N 0 0 312.413 3.391 20 10 DGCDRN CC(C)COc1ccc(C(=O)NCc2cccc(O)c2O)cc1 ZINC001528770611 1187511440 /nfs/dbraw/zinc/51/14/40/1187511440.db2.gz BBDZGNGVSRKLGK-UHFFFAOYSA-N 0 0 315.369 3.063 20 10 DGCDRN C/C(=C/c1cccnc1)C(=O)N1CCOc2cc(F)c(F)cc21 ZINC001530995447 1187658554 /nfs/dbraw/zinc/65/85/54/1187658554.db2.gz DXVPRCIZZQNHLA-XFFZJAGNSA-N 0 0 316.307 3.189 20 10 DGCDRN C[C@H]1CC/C(=C/C(=O)N2CCOc3cc(N(C)C)ccc32)C1 ZINC001532657170 1187774947 /nfs/dbraw/zinc/77/49/47/1187774947.db2.gz UXUUWJRFHCBSCE-UROBUVALSA-N 0 0 300.402 3.224 20 10 DGCDRN CN1CCN(C(=O)/C=C\c2cccnc2)c2ccc(Cl)cc21 ZINC001534211547 1187883423 /nfs/dbraw/zinc/88/34/23/1187883423.db2.gz QSJQTEBDEKWPNU-DAXSKMNVSA-N 0 0 313.788 3.231 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H](C)O[C@@H]2C)cc1 ZINC001535054365 1187935958 /nfs/dbraw/zinc/93/59/58/1187935958.db2.gz VLBPSPZRPRFIRD-IIDMSEBBSA-N 0 0 312.413 3.390 20 10 DGCDRN CCOc1ccc(N(CC)CCNC(=O)OC(C)(C)C)cc1 ZINC001616179965 1193533008 /nfs/dbraw/zinc/53/30/08/1193533008.db2.gz JXCZXOFCUUSROY-UHFFFAOYSA-N 0 0 308.422 3.436 20 10 DGCDRN Cc1ccc(/C=C/C(=O)N2CCOc3cc(F)c(F)cc32)cn1 ZINC001537928979 1188108087 /nfs/dbraw/zinc/10/80/87/1188108087.db2.gz VAQAGENAISCBMB-SNAWJCMRSA-N 0 0 316.307 3.107 20 10 DGCDRN C/C(=C\c1cccnc1)C(=O)N1CCN(C)c2cc(F)ccc21 ZINC001539670500 1188197960 /nfs/dbraw/zinc/19/79/60/1188197960.db2.gz CGNPICPDGHWXHN-JLHYYAGUSA-N 0 0 311.360 3.107 20 10 DGCDRN CNc1ccc(C(=O)NCc2ccc(N(C)C)cc2)c(Cl)c1 ZINC001540417656 1188238607 /nfs/dbraw/zinc/23/86/07/1188238607.db2.gz WOZAJOQMVCNJCQ-UHFFFAOYSA-N 0 0 317.820 3.378 20 10 DGCDRN C[C@H]1CCc2ccccc2N1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001540435736 1188239605 /nfs/dbraw/zinc/23/96/05/1188239605.db2.gz XHGPLWXNJADGNW-ZWXCPPHNSA-N 0 0 309.365 3.479 20 10 DGCDRN CC(C)NC(=O)Nc1ccccc1NC(=O)C1=CC(=O)CS1 ZINC001541626080 1188274267 /nfs/dbraw/zinc/27/42/67/1188274267.db2.gz MHYZCNUDQHPYKV-UHFFFAOYSA-N 0 0 319.386 3.236 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H]1c1cccc(F)c1 ZINC001542157205 1188277881 /nfs/dbraw/zinc/27/78/81/1188277881.db2.gz NQQVMDJALXVBGE-HNNXBMFYSA-N 0 0 315.344 3.143 20 10 DGCDRN CSCc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001542973467 1188309912 /nfs/dbraw/zinc/30/99/12/1188309912.db2.gz OEXOJDHZSMEYOW-UHFFFAOYSA-N 0 0 303.383 3.142 20 10 DGCDRN COC(=O)[C@H](NCc1ccc(OC)c(C)c1)C1CCCCC1 ZINC001617049986 1193556054 /nfs/dbraw/zinc/55/60/54/1193556054.db2.gz RVJDCKXOEVJBCC-QGZVFWFLSA-N 0 0 305.418 3.215 20 10 DGCDRN Cn1cc(/C=C\C(=O)N2CC(C)(C)c3cc(Cl)ccc32)cn1 ZINC001543950439 1188371294 /nfs/dbraw/zinc/37/12/94/1188371294.db2.gz FAAOOHCRYWGXRN-DAXSKMNVSA-N 0 0 315.804 3.411 20 10 DGCDRN C[C@H](NC(=O)Nc1ccc2c(cc[nH]c2=O)c1)c1ccccc1O ZINC001563045195 1188913510 /nfs/dbraw/zinc/91/35/10/1188913510.db2.gz BMDLXQJRZMKHHT-NSHDSACASA-N 0 0 323.352 3.116 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc2ccncc21 ZINC001556157407 1188987640 /nfs/dbraw/zinc/98/76/40/1188987640.db2.gz AROFRUWSLRKBRK-GFCCVEGCSA-N 0 0 322.364 3.007 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cc(C=O)sc2Cl)c1 ZINC001557552514 1189070813 /nfs/dbraw/zinc/07/08/13/1189070813.db2.gz KVYLMYYMBSJWRQ-UHFFFAOYSA-N 0 0 309.774 3.158 20 10 DGCDRN C[C@H](NC(=O)c1cnc(-c2ccccc2)[nH]1)c1ccccc1O ZINC001557967941 1189095773 /nfs/dbraw/zinc/09/57/73/1189095773.db2.gz BLCDKMFCCIDPAY-LBPRGKRZSA-N 0 0 307.353 3.273 20 10 DGCDRN CSc1ccc(O)c(C(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001557969633 1189096113 /nfs/dbraw/zinc/09/61/13/1189096113.db2.gz YINPKQQTTKOUJQ-JTQLQIEISA-N 0 0 303.383 3.311 20 10 DGCDRN Cc1cnn(-c2ccc(C(=O)N[C@@H](C)c3ccccc3O)cc2)c1 ZINC001557967597 1189096191 /nfs/dbraw/zinc/09/61/91/1189096191.db2.gz HKLYXIYZWTZNLI-AWEZNQCLSA-N 0 0 321.380 3.377 20 10 DGCDRN O=C(CCc1ccc2[nH]ccc2c1)N1Cc2cccc(O)c2C1 ZINC001558036047 1189101002 /nfs/dbraw/zinc/10/10/02/1189101002.db2.gz SBDUQXICUAXETA-UHFFFAOYSA-N 0 0 306.365 3.349 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1ccc(-n2cccc2)cc1 ZINC001558456603 1189126367 /nfs/dbraw/zinc/12/63/67/1189126367.db2.gz ZHKDIXKDAPDBLG-UHFFFAOYSA-N 0 0 310.328 3.252 20 10 DGCDRN COc1ccccc1CCC(=O)NCc1cccc(Cl)c1O ZINC001558757200 1189146587 /nfs/dbraw/zinc/14/65/87/1189146587.db2.gz UEMIJFZQRCXDCH-UHFFFAOYSA-N 0 0 319.788 3.303 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cncc(C(F)(F)F)c1 ZINC001558821738 1189150932 /nfs/dbraw/zinc/15/09/32/1189150932.db2.gz JEIYMLNAXQNHQY-RQOWECAXSA-N 0 0 324.258 3.164 20 10 DGCDRN Cc1sc2ncnc(NCc3cc(O)ccc3O)c2c1C ZINC001559270212 1189189642 /nfs/dbraw/zinc/18/96/42/1189189642.db2.gz ICYOJGJFYWFIFC-UHFFFAOYSA-N 0 0 301.371 3.331 20 10 DGCDRN CCOc1nc(NCc2cccc(Cl)c2O)ncc1Cl ZINC001559300319 1189194317 /nfs/dbraw/zinc/19/43/17/1189194317.db2.gz KWTSHUXEHYPWGY-UHFFFAOYSA-N 0 0 314.172 3.500 20 10 DGCDRN COC(=O)c1cnc(SCc2ccccc2[N+](=O)[O-])s1 ZINC001559416665 1189202782 /nfs/dbraw/zinc/20/27/82/1189202782.db2.gz RYYSILWNHJCFDA-UHFFFAOYSA-N 0 0 310.356 3.130 20 10 DGCDRN CCN(C)c1ccc(CN[C@H](C(=O)OC(C)C)C(C)C)cc1 ZINC001559854701 1189249687 /nfs/dbraw/zinc/24/96/87/1189249687.db2.gz HLBMPMZZHPRBPL-KRWDZBQOSA-N 0 0 306.450 3.209 20 10 DGCDRN CCOc1ccccc1CC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001560323108 1189311222 /nfs/dbraw/zinc/31/12/22/1189311222.db2.gz GHBWFTXEIOXJQH-UHFFFAOYSA-N 0 0 307.340 3.401 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H](CCO)c1ccccc1 ZINC001560344727 1189314797 /nfs/dbraw/zinc/31/47/97/1189314797.db2.gz ISYMPZIZJQKMCU-ZDUSSCGKSA-N 0 0 323.795 3.441 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CCN(CC2CCCC2)C1 ZINC001560360764 1189318524 /nfs/dbraw/zinc/31/85/24/1189318524.db2.gz YWSNTPPOXABTQH-HNNXBMFYSA-N 0 0 310.388 3.025 20 10 DGCDRN CNC(=O)c1cccc(NCc2c(O)cc(C)cc2Cl)c1 ZINC001560376358 1189320266 /nfs/dbraw/zinc/32/02/66/1189320266.db2.gz HFGISGVVOWIXJN-UHFFFAOYSA-N 0 0 304.777 3.326 20 10 DGCDRN CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1(C)C ZINC001560414940 1189325261 /nfs/dbraw/zinc/32/52/61/1189325261.db2.gz RIHJLHISCXWCMT-ULCPSODYSA-N 0 0 301.789 3.334 20 10 DGCDRN C[C@@H]1CN(Cc2ccc(Cl)cc2O)C[C@@H](C(F)(F)F)O1 ZINC001560632889 1189353043 /nfs/dbraw/zinc/35/30/43/1189353043.db2.gz ZNSJXJVSZICILL-PELKAZGASA-N 0 0 309.715 3.197 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC001560671117 1189358657 /nfs/dbraw/zinc/35/86/57/1189358657.db2.gz SNIUBYAPODOCQA-MLGOLLRUSA-N 0 0 323.339 3.352 20 10 DGCDRN CN(C)c1cc(F)c(CN2CCN(C)c3ccccc32)cc1F ZINC001560743018 1189372214 /nfs/dbraw/zinc/37/22/14/1189372214.db2.gz BZXKYVLYTOJOJD-UHFFFAOYSA-N 0 0 317.383 3.487 20 10 DGCDRN CC[C@H](C)[NH+]1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC001560834139 1189390763 /nfs/dbraw/zinc/39/07/63/1189390763.db2.gz FNPFFRDKRLOFOD-NSHDSACASA-N 0 0 300.805 3.101 20 10 DGCDRN CC[C@@H]1CO[C@@H](CC)CN1Cc1cc(F)c(N(C)C)cc1F ZINC001560919313 1189405265 /nfs/dbraw/zinc/40/52/65/1189405265.db2.gz AJVVBQQREWRBDE-KGLIPLIRSA-N 0 0 312.404 3.420 20 10 DGCDRN C[C@@H]1CN(Cc2ccc(Cl)cc2O)C[C@@](C)(C(F)F)O1 ZINC001560938364 1189408485 /nfs/dbraw/zinc/40/84/85/1189408485.db2.gz CLYPNVZPGQAPQU-OTYXRUKQSA-N 0 0 305.752 3.290 20 10 DGCDRN C[C@@H]1CN(Cc2ccc(Cl)cc2O)C[C@](C)(C(F)F)O1 ZINC001560938366 1189408748 /nfs/dbraw/zinc/40/87/48/1189408748.db2.gz CLYPNVZPGQAPQU-YMTOWFKASA-N 0 0 305.752 3.290 20 10 DGCDRN COC(=O)C[C@](C)([NH2+]Cc1c([O-])ccc(Cl)c1F)C1CC1 ZINC001560976417 1189413774 /nfs/dbraw/zinc/41/37/74/1189413774.db2.gz SXQXVAVGSAGMII-HNNXBMFYSA-N 0 0 315.772 3.006 20 10 DGCDRN COc1c([O-])c(C[N@H+](C)C[C@@H](C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC001560999483 1189418132 /nfs/dbraw/zinc/41/81/32/1189418132.db2.gz WLEFMPMNUVADJO-LLVKDONJSA-N 0 0 310.394 3.423 20 10 DGCDRN Oc1cc(F)c(F)cc1CN[C@H]1c2ccccc2OC[C@H]1F ZINC001561006528 1189419268 /nfs/dbraw/zinc/41/92/68/1189419268.db2.gz UDWATOLFISJLNI-CJNGLKHVSA-N 0 0 309.287 3.232 20 10 DGCDRN Cc1cc(O)c(CN2CC(F)(F)OC(F)(F)C2)cc1Cl ZINC001561015408 1189420750 /nfs/dbraw/zinc/42/07/50/1189420750.db2.gz VHQUFWBQUOCSQE-UHFFFAOYSA-N 0 0 313.678 3.372 20 10 DGCDRN O=S(=O)(CCC1CCCCC1)N1Cc2cccc(O)c2C1 ZINC001561857516 1189463806 /nfs/dbraw/zinc/46/38/06/1189463806.db2.gz WNLPFRVLNRSTTD-UHFFFAOYSA-N 0 0 309.431 3.008 20 10 DGCDRN CCOc1ccccc1NC(=O)NCc1cc(C)ccc1O ZINC001562144789 1189474685 /nfs/dbraw/zinc/47/46/85/1189474685.db2.gz CMCSOKUHZHUNAL-UHFFFAOYSA-N 0 0 300.358 3.421 20 10 DGCDRN Cc1cc(CNC(=O)NCc2cc(Cl)ccc2O)ccc1F ZINC001563540102 1189519857 /nfs/dbraw/zinc/51/98/57/1189519857.db2.gz IQMUYZDZWNLYLJ-UHFFFAOYSA-N 0 0 322.767 3.493 20 10 DGCDRN O=C(NCc1c(O)cccc1F)NC[C@@H]1C[C@@H]1C1CCCC1 ZINC001565481155 1189649652 /nfs/dbraw/zinc/64/96/52/1189649652.db2.gz HWFWONKZMARMBR-QWHCGFSZSA-N 0 0 306.381 3.157 20 10 DGCDRN CCCNc1ccccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001567442400 1190194445 /nfs/dbraw/zinc/19/44/45/1190194445.db2.gz GSSCCUVPZPTDTK-UHFFFAOYSA-N 0 0 300.358 3.101 20 10 DGCDRN Cc1ncsc1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001567648385 1190236895 /nfs/dbraw/zinc/23/68/95/1190236895.db2.gz SXQQSLVBPDINEI-UHFFFAOYSA-N 0 0 306.368 3.330 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2C[C@H]2C2CC2)c1 ZINC001568228905 1190454402 /nfs/dbraw/zinc/45/44/02/1190454402.db2.gz HREOTBIRZMIHMG-RBUKOAKNSA-N 0 0 322.408 3.435 20 10 DGCDRN CSc1cncc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001570468226 1190865102 /nfs/dbraw/zinc/86/51/02/1190865102.db2.gz ZQDUYWPQTIEAGS-UHFFFAOYSA-N 0 0 315.358 3.218 20 10 DGCDRN O=C([O-])[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001574817390 1191452664 /nfs/dbraw/zinc/45/26/64/1191452664.db2.gz CHJMBZPKBKAYPC-LJQANCHMSA-N 0 0 324.424 3.245 20 10 DGCDRN C[C@H](NC(=O)[C@H]1CNc2ccccc21)c1ccc(N(C)C)cc1 ZINC001576189791 1191539513 /nfs/dbraw/zinc/53/95/13/1191539513.db2.gz VCILKPYTXFKCIR-GUYCJALGSA-N 0 0 309.413 3.139 20 10 DGCDRN Cc1noc(C)c1N(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001618608708 1193745177 /nfs/dbraw/zinc/74/51/77/1193745177.db2.gz SKYKYFCLXOTNTB-UHFFFAOYSA-N 0 0 318.354 3.194 20 10 DGCDRN Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001620717008 1193794565 /nfs/dbraw/zinc/79/45/65/1193794565.db2.gz JKJKFDHWABYSEO-CYBMUJFWSA-N 0 0 309.772 3.085 20 10 DGCDRN CC(C)(C)c1cc(CNn2cnnc2)c(O)c(C(C)(C)C)c1 ZINC001621093508 1193801398 /nfs/dbraw/zinc/80/13/98/1193801398.db2.gz YTBUBRKQOKEMFE-UHFFFAOYSA-N 0 0 302.422 3.322 20 10 DGCDRN COc1ccc(F)cc1CN1CCOc2cc(N(C)C)ccc21 ZINC001621230878 1193819776 /nfs/dbraw/zinc/81/97/76/1193819776.db2.gz RARPKUBDMHOOSK-UHFFFAOYSA-N 0 0 316.376 3.299 20 10 DGCDRN COc1ccc2c(c1)N(Cc1ccc(Cl)cc1O)CCO2 ZINC001621228732 1193820064 /nfs/dbraw/zinc/82/00/64/1193820064.db2.gz JQADRLYLGYRONS-UHFFFAOYSA-N 0 0 305.761 3.453 20 10 DGCDRN Cc1ccc([C@@H](O)[C@@H](C)[NH2+]Cc2cc(F)c(F)cc2[O-])cc1 ZINC001621411040 1193839659 /nfs/dbraw/zinc/83/96/59/1193839659.db2.gz PGVXTAMNYJHCCO-DIFFPNOSSA-N 0 0 307.340 3.191 20 10 DGCDRN O=C(O[C@H]1CCOC1)N(Cc1ccccc1O)C1CCCCC1 ZINC001621828194 1193872955 /nfs/dbraw/zinc/87/29/55/1193872955.db2.gz QHCGDRVMSODHBD-INIZCTEOSA-N 0 0 319.401 3.452 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H](O)CC(C)C ZINC001622370600 1193898294 /nfs/dbraw/zinc/89/82/94/1193898294.db2.gz FCSRIKBUXQZKQJ-AWEZNQCLSA-N 0 0 320.458 3.292 20 10 DGCDRN Cc1ccc(NC(=O)NCc2c(O)cccc2F)c2n[nH]cc21 ZINC001623055703 1193918612 /nfs/dbraw/zinc/91/86/12/1193918612.db2.gz YHOACBODEZFPCF-UHFFFAOYSA-N 0 0 314.320 3.038 20 10 DGCDRN CCOCc1ccc(NC(=O)NCc2c(O)cccc2F)cc1 ZINC001623155526 1193920615 /nfs/dbraw/zinc/92/06/15/1193920615.db2.gz CNSKLWKOYRZRPS-UHFFFAOYSA-N 0 0 318.348 3.390 20 10 DGCDRN C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1Cl ZINC001623359716 1193929300 /nfs/dbraw/zinc/92/93/00/1193929300.db2.gz HPXFHNVHXOTVJC-SNVBAGLBSA-N 0 0 305.761 3.171 20 10 DGCDRN C[C@@H]1CCC[C@H](C)N1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001623801185 1193966319 /nfs/dbraw/zinc/96/63/19/1193966319.db2.gz TWSIMXUMFCZCAM-AOOOYVTPSA-N 0 0 320.414 3.220 20 10 DGCDRN Cc1cc(CNC(=O)COC2CC2)c(C)n1-c1cccc(C)c1 ZINC001624075477 1193979626 /nfs/dbraw/zinc/97/96/26/1193979626.db2.gz PWVOJFBLTHMJFV-UHFFFAOYSA-N 0 0 312.413 3.198 20 10 DGCDRN Cc1cc(F)c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(F)c1 ZINC001624954952 1194023528 /nfs/dbraw/zinc/02/35/28/1194023528.db2.gz NUMRHMZJSIVPFY-SNVBAGLBSA-N 0 0 321.323 3.045 20 10 DGCDRN COc1cc(NC(=O)NCc2ccccc2O)cc(OC)c1C ZINC001625266527 1194040913 /nfs/dbraw/zinc/04/09/13/1194040913.db2.gz DTKWFRBVNPMRKO-UHFFFAOYSA-N 0 0 316.357 3.040 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccn(-c3ccccc3)n2)c1 ZINC001626459648 1194078533 /nfs/dbraw/zinc/07/85/33/1194078533.db2.gz KGFQUOFQUAPNJF-UHFFFAOYSA-N 0 0 322.368 3.208 20 10 DGCDRN C/C(=C/C(=O)NCc1ccc(O)cc1O)c1cccc(Cl)c1 ZINC001626838369 1194098361 /nfs/dbraw/zinc/09/83/61/1194098361.db2.gz ZEKURFJBUNTYQO-XFFZJAGNSA-N 0 0 317.772 3.471 20 10 DGCDRN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC001628667018 1194190815 /nfs/dbraw/zinc/19/08/15/1194190815.db2.gz ODNFSAXRJIEYIP-UHFFFAOYSA-N 0 0 320.732 3.192 20 10 DGCDRN CC1(C)CCN(C(=O)Cc2ccc(O)c(O)c2)CC(C)(C)C1 ZINC001628983796 1194207018 /nfs/dbraw/zinc/20/70/18/1194207018.db2.gz HYKIELGYFDQCGU-UHFFFAOYSA-N 0 0 305.418 3.315 20 10 DGCDRN Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)c2cccnc12 ZINC001629287771 1194224203 /nfs/dbraw/zinc/22/42/03/1194224203.db2.gz JWAFTDXGHNRNDD-UHFFFAOYSA-N 0 0 308.337 3.136 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cc(F)c3ncccc3c2)c1 ZINC001629740645 1194250340 /nfs/dbraw/zinc/25/03/40/1194250340.db2.gz LAVBTPNUNCXRQC-UHFFFAOYSA-N 0 0 310.328 3.318 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ocnc2-c2ccccc2)c1 ZINC001629740263 1194250425 /nfs/dbraw/zinc/25/04/25/1194250425.db2.gz CFZYZTJZUMBPLG-UHFFFAOYSA-N 0 0 308.337 3.286 20 10 DGCDRN CC1(C)CCc2cccc(NC(=O)c3cccc(O)c3O)c2O1 ZINC001630038725 1194266004 /nfs/dbraw/zinc/26/60/04/1194266004.db2.gz HBHDZYQAMKDSGB-UHFFFAOYSA-N 0 0 313.353 3.454 20 10 DGCDRN C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(Cl)c(F)c1 ZINC001630776137 1194303385 /nfs/dbraw/zinc/30/33/85/1194303385.db2.gz UEJJSPOMASZWBQ-SECBINFHSA-N 0 0 323.751 3.310 20 10 DGCDRN Cc1ccncc1[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001631513202 1194339128 /nfs/dbraw/zinc/33/91/28/1194339128.db2.gz BWYIHDLHVFJLBR-LLVKDONJSA-N 0 0 311.345 3.043 20 10 DGCDRN O=C(CCc1cccc(O)c1)NCc1cc(Cl)ccc1O ZINC001632227983 1194377697 /nfs/dbraw/zinc/37/76/97/1194377697.db2.gz JJNVSXAEZNETRN-UHFFFAOYSA-N 0 0 305.761 3.000 20 10 DGCDRN Cc1c2ccccc2c(=O)oc1C(=O)N[C@H](C)c1ccccc1O ZINC001632249826 1194379102 /nfs/dbraw/zinc/37/91/02/1194379102.db2.gz CWQGNAAGWXOXIK-GFCCVEGCSA-N 0 0 323.348 3.298 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCc3ccccc32)cc1 ZINC001633602799 1194444703 /nfs/dbraw/zinc/44/47/03/1194444703.db2.gz BMIKDICOVHUPFR-AWEZNQCLSA-N 0 0 322.368 3.309 20 10 DGCDRN C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCc2cc(O)ccc2O)o1 ZINC001633595293 1194444767 /nfs/dbraw/zinc/44/47/67/1194444767.db2.gz QLGUVAINTJEGEH-IAQYHMDHSA-N 0 0 315.369 3.063 20 10 DGCDRN C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccsc1 ZINC001634016938 1194469591 /nfs/dbraw/zinc/46/95/91/1194469591.db2.gz LUTRBJPSTCCNSU-VIFPVBQESA-N 0 0 302.359 3.402 20 10 DGCDRN CC[C@H](NC(=O)c1cc(C)ccc1-n1c(C)ccc1C)[C@@H](C)O ZINC001635346959 1194545893 /nfs/dbraw/zinc/54/58/93/1194545893.db2.gz VTNPMNDMBUYGCT-WBVHZDCISA-N 0 0 314.429 3.292 20 10 DGCDRN CC[C@H]1CCCC[C@H]1OCC(=O)NCc1c(O)cccc1F ZINC001635361151 1194546637 /nfs/dbraw/zinc/54/66/37/1194546637.db2.gz YDANCAUJDKDJGP-BLLLJJGKSA-N 0 0 309.381 3.133 20 10 DGCDRN CCCOc1cc(C)ccc1CNC(=O)c1cccc(O)c1O ZINC001635431790 1194552245 /nfs/dbraw/zinc/55/22/45/1194552245.db2.gz SLTLVEXQPOHAON-UHFFFAOYSA-N 0 0 315.369 3.125 20 10 DGCDRN CCO/C=C\C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001635647249 1194563870 /nfs/dbraw/zinc/56/38/70/1194563870.db2.gz DEWFLAPGOVVOEF-LUAWRHEFSA-N 0 0 301.342 3.064 20 10 DGCDRN Cc1cc(C)n2ccc(C(=O)N[C@H](C)c3ccccc3O)c2n1 ZINC001635799019 1194572416 /nfs/dbraw/zinc/57/24/16/1194572416.db2.gz MGLDCTJSWSKBBZ-CYBMUJFWSA-N 0 0 309.369 3.148 20 10 DGCDRN COc1ccc2c(ccn2CC(=O)N[C@H](C)c2ccccc2O)c1 ZINC001635793896 1194572649 /nfs/dbraw/zinc/57/26/49/1194572649.db2.gz MSINQRVLSVLYOP-CYBMUJFWSA-N 0 0 324.380 3.233 20 10 DGCDRN C[C@H](NC(=O)c1ccc(-c2c[nH]cn2)cc1)c1ccccc1O ZINC001635803835 1194573155 /nfs/dbraw/zinc/57/31/55/1194573155.db2.gz LDOFGSJUFSIHAH-LBPRGKRZSA-N 0 0 307.353 3.273 20 10 DGCDRN CCc1oc2ccccc2c1C(=O)NCc1c(O)cccc1O ZINC001635847380 1194576044 /nfs/dbraw/zinc/57/60/44/1194576044.db2.gz NEUFTWLBUALULS-UHFFFAOYSA-N 0 0 311.337 3.336 20 10 DGCDRN CCc1cccnc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001635965333 1194582337 /nfs/dbraw/zinc/58/23/37/1194582337.db2.gz WEJOVYSMWAVPRJ-UHFFFAOYSA-N 0 0 306.365 3.433 20 10 DGCDRN O=C(NCc1ccccc1O)NCC(F)(F)c1cccc(F)c1 ZINC001636747963 1194630968 /nfs/dbraw/zinc/63/09/68/1194630968.db2.gz CLLKJISIVWFFSV-UHFFFAOYSA-N 0 0 324.302 3.123 20 10 DGCDRN O=C(Cc1ccc2ccccc2c1)NCc1cccc(O)c1O ZINC001637034995 1194647062 /nfs/dbraw/zinc/64/70/62/1194647062.db2.gz OUADVVPWTJULBB-UHFFFAOYSA-N 0 0 307.349 3.110 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1ccc(C(F)F)c(F)c1 ZINC001637045599 1194647852 /nfs/dbraw/zinc/64/78/52/1194647852.db2.gz HXCQEQKCSRBBPV-UHFFFAOYSA-N 0 0 311.259 3.105 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1cccc(C(F)F)c1F ZINC001637045824 1194647976 /nfs/dbraw/zinc/64/79/76/1194647976.db2.gz JDYXUQFNNHQBBJ-UHFFFAOYSA-N 0 0 311.259 3.105 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccccc2OCCF)c(O)c1O ZINC001637306795 1194662535 /nfs/dbraw/zinc/66/25/35/1194662535.db2.gz ICPGWNDWRXZOSM-UHFFFAOYSA-N 0 0 305.305 3.007 20 10 DGCDRN Cc1cc(CNC(=O)N2CC[C@@H](F)C2)c(C)n1-c1ccccc1 ZINC001637582369 1194677188 /nfs/dbraw/zinc/67/71/88/1194677188.db2.gz URACKKFVQBBFRI-MRXNPFEDSA-N 0 0 315.392 3.348 20 10 DGCDRN O=C(NCC[C@@H]1C[C@H]1Cc1ccccc1)NCc1ccccc1O ZINC001638834103 1194740500 /nfs/dbraw/zinc/74/05/00/1194740500.db2.gz KCKKFYUYYVNWFL-SJLPKXTDSA-N 0 0 324.424 3.460 20 10 DGCDRN Cc1ccccc1OCCCC(=O)NCc1c(O)cccc1F ZINC001638858054 1194741580 /nfs/dbraw/zinc/74/15/80/1194741580.db2.gz FQTPWMFQKDQTCN-UHFFFAOYSA-N 0 0 317.360 3.315 20 10 DGCDRN COc1ccc2[nH]cc(C3=CCN(c4cnc(F)cn4)CC3)c2c1 ZINC001639301740 1194759516 /nfs/dbraw/zinc/75/95/16/1194759516.db2.gz BNMJCUWUNWONST-UHFFFAOYSA-N 0 0 324.359 3.399 20 10 DGCDRN Cc1cc(C2(C(=O)NCc3c(O)ccc4ccccc43)CC2)on1 ZINC001639388251 1194762832 /nfs/dbraw/zinc/76/28/32/1194762832.db2.gz ZTGPDQJDUFDUNO-UHFFFAOYSA-N 0 0 322.364 3.190 20 10 DGCDRN COc1cccc(CNc2cc(-c3ccccc3)ncn2)c1O ZINC001639426494 1194765235 /nfs/dbraw/zinc/76/52/35/1194765235.db2.gz GHXLPALHPPZBLU-UHFFFAOYSA-N 0 0 307.353 3.470 20 10 DGCDRN CC[C@@H]1C[C@H]1NC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC001639603484 1194773189 /nfs/dbraw/zinc/77/31/89/1194773189.db2.gz YYATUZAPFOURFV-RHSMWYFYSA-N 0 0 310.397 3.435 20 10 DGCDRN Cc1cccc(CC(=O)NCc2ccc3cccnc3c2O)c1 ZINC001639621814 1194774009 /nfs/dbraw/zinc/77/40/09/1194774009.db2.gz VAXKPIFLFZJZDY-UHFFFAOYSA-N 0 0 306.365 3.108 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@]2(C)CC=CCC2)cc1 ZINC001639814146 1194783037 /nfs/dbraw/zinc/78/30/37/1194783037.db2.gz LWKFQANBUBXMQN-IBGZPJMESA-N 0 0 316.445 3.336 20 10 DGCDRN Cc1ncsc1/C=C/C(=O)NCc1cc(Cl)ccc1O ZINC001639968217 1194789480 /nfs/dbraw/zinc/78/94/80/1194789480.db2.gz CHPJWBPKHIZTJW-SNAWJCMRSA-N 0 0 308.790 3.140 20 10 DGCDRN Cc1sc(NC(=O)Cc2ccc(O)c(O)c2)nc1C(C)C ZINC001640275748 1194805319 /nfs/dbraw/zinc/80/53/19/1194805319.db2.gz XPMGLMXGWSWURA-UHFFFAOYSA-N 0 0 306.387 3.167 20 10 DGCDRN COc1cccc([C@@H](C)C(=O)NCc2cccc(Cl)c2O)c1 ZINC001640402609 1194811229 /nfs/dbraw/zinc/81/12/29/1194811229.db2.gz WGJKFDUYCIUFCM-LLVKDONJSA-N 0 0 319.788 3.474 20 10 DGCDRN Cc1[nH]c2ccccc2c1CC(=O)NCc1cc(C)ccc1O ZINC001640796532 1194828148 /nfs/dbraw/zinc/82/81/48/1194828148.db2.gz ITCNYZUPUFLZJK-UHFFFAOYSA-N 0 0 308.381 3.349 20 10 DGCDRN CSc1cc(C(=O)NCc2cc(Cl)ccc2O)ccn1 ZINC001640920001 1194832986 /nfs/dbraw/zinc/83/29/86/1194832986.db2.gz IAXQUHZRCVPBSR-UHFFFAOYSA-N 0 0 308.790 3.093 20 10 DGCDRN C[C@H]1CC(CNC(=O)/C=C\c2ccc(O)c(O)c2)C[C@H](C)C1 ZINC001641082271 1194838464 /nfs/dbraw/zinc/83/84/64/1194838464.db2.gz HUWLIVGJGBWJEP-FSMZVQOTSA-N 0 0 303.402 3.300 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H](c2ccccc2)C1 ZINC001641179784 1194842675 /nfs/dbraw/zinc/84/26/75/1194842675.db2.gz VECKNKRGHCTFEH-INIZCTEOSA-N 0 0 311.381 3.047 20 10 DGCDRN CCn1nc(C)cc1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001641944209 1194880069 /nfs/dbraw/zinc/88/00/69/1194880069.db2.gz FUXOUHNWOJIMBH-UHFFFAOYSA-N 0 0 317.370 3.090 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)c1ncc([N+](=O)[O-])s1 ZINC001642021290 1194883896 /nfs/dbraw/zinc/88/38/96/1194883896.db2.gz DGWKODGSQNHNHU-UHFFFAOYSA-N 0 0 318.402 3.288 20 10 DGCDRN CCOC(=O)c1sc(NC(=O)C2=CC(=O)CS2)cc1C ZINC001642546647 1194918425 /nfs/dbraw/zinc/91/84/25/1194918425.db2.gz DGAXRBXBIXZDOO-UHFFFAOYSA-N 0 0 311.384 3.253 20 10 DGCDRN CC[C@@H](C)c1ncc(NC(=O)N(C)Cc2ccccc2O)cn1 ZINC001671204586 1194922884 /nfs/dbraw/zinc/92/28/84/1194922884.db2.gz KNSZPYFNWWKTCK-GFCCVEGCSA-N 0 0 314.389 3.360 20 10 DGCDRN C[C@@H](NC(=O)c1cnc(-c2ccccc2)nc1)c1ccccc1O ZINC001642824405 1194943523 /nfs/dbraw/zinc/94/35/23/1194943523.db2.gz SWDSELVSJPEQSF-CYBMUJFWSA-N 0 0 319.364 3.340 20 10 DGCDRN CSc1ncc(Cl)c(C(=O)N[C@H](C)c2ccccc2O)n1 ZINC001642824419 1194943698 /nfs/dbraw/zinc/94/36/98/1194943698.db2.gz UHJSOSSARBRGIE-MRVPVSSYSA-N 0 0 323.805 3.049 20 10 DGCDRN CC1(C)CCC(C)(CNC(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001642882217 1194951246 /nfs/dbraw/zinc/95/12/46/1194951246.db2.gz HWHFADVYUCHGMO-UHFFFAOYSA-N 0 0 305.418 3.363 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1[nH]c2ccccc2c1Cl ZINC001643100878 1194985869 /nfs/dbraw/zinc/98/58/69/1194985869.db2.gz NOGJVPJOACKHTO-UHFFFAOYSA-N 0 0 316.744 3.163 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1ccc(-c2ccccc2)o1 ZINC001643103802 1194995978 /nfs/dbraw/zinc/99/59/78/1194995978.db2.gz GGJLWBAKUCTJCJ-UHFFFAOYSA-N 0 0 309.321 3.288 20 10 DGCDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1Cc2cccc(O)c2C1 ZINC001643173768 1195000669 /nfs/dbraw/zinc/00/06/69/1195000669.db2.gz SQWXKNCWUCQBRV-UHFFFAOYSA-N 0 0 312.325 3.073 20 10 DGCDRN CC(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccccc2O)c1C ZINC001643745339 1195051437 /nfs/dbraw/zinc/05/14/37/1195051437.db2.gz LSAQMNRLQNJDOR-LBPRGKRZSA-N 0 0 312.369 3.150 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1cc2c(cccc2C2CC2)[nH]1 ZINC001643812748 1195056784 /nfs/dbraw/zinc/05/67/84/1195056784.db2.gz OMBVJQQTPQZGQN-UHFFFAOYSA-N 0 0 322.364 3.387 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)C1CC(c2ccc(F)cc2)C1 ZINC001643881686 1195060335 /nfs/dbraw/zinc/06/03/35/1195060335.db2.gz BKGXESCCJIOTFN-UHFFFAOYSA-N 0 0 315.344 3.047 20 10 DGCDRN Cc1cc(Br)oc1C(=O)N1Cc2cccc(O)c2C1 ZINC001644088222 1195080580 /nfs/dbraw/zinc/08/05/80/1195080580.db2.gz KNOKAYLXOYALOE-UHFFFAOYSA-N 0 0 322.158 3.212 20 10 DGCDRN O=C(COc1ccc(Cl)c(F)c1)N1Cc2cccc(O)c2C1 ZINC001644088204 1195080680 /nfs/dbraw/zinc/08/06/80/1195080680.db2.gz JVFQEKRPFVHHPR-UHFFFAOYSA-N 0 0 321.735 3.106 20 10 DGCDRN COC(=O)c1cc(NC(=O)C2=CC(=O)CS2)ccc1Cl ZINC001644103274 1195081638 /nfs/dbraw/zinc/08/16/38/1195081638.db2.gz AMYGAKXTGQRAPD-UHFFFAOYSA-N 0 0 311.746 3.146 20 10 DGCDRN Cn1ccc2c1cccc2C(=O)NCc1cc(Cl)ccc1O ZINC001644590916 1195118774 /nfs/dbraw/zinc/11/87/74/1195118774.db2.gz VAVOFARBYRWIAE-UHFFFAOYSA-N 0 0 314.772 3.467 20 10 DGCDRN CC(C)(C)c1ccc(CC(=O)NCc2cc(O)ccc2O)cc1 ZINC001644754279 1195131998 /nfs/dbraw/zinc/13/19/98/1195131998.db2.gz UUKKUEGFIUDQFJ-UHFFFAOYSA-N 0 0 313.397 3.254 20 10 DGCDRN CCCC[C@H](O)CCC(=O)NCc1c(O)ccc2ccccc21 ZINC001645442900 1195184176 /nfs/dbraw/zinc/18/41/76/1195184176.db2.gz DIPNEFJSNBDIOO-HNNXBMFYSA-N 0 0 315.413 3.493 20 10 DGCDRN CC[C@H](CCc1ccccc1)NC(=O)Cc1ccc(O)c(O)c1 ZINC001645459280 1195185508 /nfs/dbraw/zinc/18/55/08/1195185508.db2.gz QNQUVTLZVFZBOB-MRXNPFEDSA-N 0 0 313.397 3.168 20 10 DGCDRN Cc1cc(C(=O)NCc2c(O)cccc2F)c2ccccc2n1 ZINC001646029311 1195211247 /nfs/dbraw/zinc/21/12/47/1195211247.db2.gz WENSKRRFRHPPKP-UHFFFAOYSA-N 0 0 310.328 3.318 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001647858699 1195260935 /nfs/dbraw/zinc/26/09/35/1195260935.db2.gz GZMSGQAYHGPDFJ-ZDUSSCGKSA-N 0 0 317.410 3.397 20 10 DGCDRN CCOc1ccc(N(CCOC[C@@H]2CCCO2)CC2CC2)cc1 ZINC001648030682 1195271383 /nfs/dbraw/zinc/27/13/83/1195271383.db2.gz SEQUGBPYMSPGMB-IBGZPJMESA-N 0 0 319.445 3.497 20 10 DGCDRN C/C(=C\c1ccccc1)CN(C)C(=O)c1c(F)ccc(O)c1O ZINC001648710771 1195324208 /nfs/dbraw/zinc/32/42/08/1195324208.db2.gz QJZXOAUEKXPISG-ZRDIBKRKSA-N 0 0 315.344 3.412 20 10 DGCDRN O=C(c1cccc([N+](=O)[O-])c1Cl)N1Cc2cccc(O)c2C1 ZINC001650675182 1195370797 /nfs/dbraw/zinc/37/07/97/1195370797.db2.gz TUCUNDMDSODYNV-UHFFFAOYSA-N 0 0 318.716 3.110 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])[C@H](O)Cc1ccccc1 ZINC001650807847 1195384929 /nfs/dbraw/zinc/38/49/29/1195384929.db2.gz QGOVTOZTFODKFB-BDJLRTHQSA-N 0 0 323.795 3.266 20 10 DGCDRN CC(C)(C(=O)NCc1cccc(O)c1O)c1ccccc1Cl ZINC001651173249 1195422950 /nfs/dbraw/zinc/42/29/50/1195422950.db2.gz VUGVPCBLCDHHHB-UHFFFAOYSA-N 0 0 319.788 3.345 20 10 DGCDRN CSc1ccc(/C=C/C(=O)NCc2cccc(O)c2O)s1 ZINC001651175800 1195423639 /nfs/dbraw/zinc/42/36/39/1195423639.db2.gz NIFMKBWKYFYQAU-FNORWQNLSA-N 0 0 321.423 3.211 20 10 DGCDRN COc1cc(N(C)Cc2cnc(C)s2)c([N+](=O)[O-])cc1OC ZINC001651399811 1195454794 /nfs/dbraw/zinc/45/47/94/1195454794.db2.gz RNKLSSJMFRZBOP-UHFFFAOYSA-N 0 0 323.374 3.013 20 10 DGCDRN COc1cccc(CNc2cc(Cl)nc3cc(C)nn32)c1O ZINC001651487551 1195469497 /nfs/dbraw/zinc/46/94/97/1195469497.db2.gz DODZQNHTJFJNRC-UHFFFAOYSA-N 0 0 318.764 3.017 20 10 DGCDRN C[S@](=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001651646399 1195490507 /nfs/dbraw/zinc/49/05/07/1195490507.db2.gz KQUYEYVVDBXJHP-QQKBFRNYSA-N 0 0 322.257 3.088 20 10 DGCDRN CCOc1cc(N[C@H](C)c2ccc(N(C)C)cc2)nc(C)n1 ZINC001651763644 1195506805 /nfs/dbraw/zinc/50/68/05/1195506805.db2.gz NJRWZGNDVVOEKO-GFCCVEGCSA-N 0 0 300.406 3.423 20 10 DGCDRN Oc1ccccc1N1CCN(Cc2ccc(Cl)cc2O)CC1 ZINC001651894079 1195521232 /nfs/dbraw/zinc/52/12/32/1195521232.db2.gz FBVTWJSROADYMI-UHFFFAOYSA-N 0 0 318.804 3.073 20 10 DGCDRN CO[C@@H]1Cc2ccc(NCc3cc(F)c(F)cc3O)cc2C1 ZINC001652186935 1195560171 /nfs/dbraw/zinc/56/01/71/1195560171.db2.gz KPPZOTGPBJHFJE-CQSZACIVSA-N 0 0 305.324 3.396 20 10 DGCDRN CCOC(=O)[C@@H](CC)N(Cc1cccc(CC)c1O)C1CC1 ZINC001652238314 1195567188 /nfs/dbraw/zinc/56/71/88/1195567188.db2.gz ITZJZISECJAKJZ-MRXNPFEDSA-N 0 0 305.418 3.261 20 10 DGCDRN O=C(CCc1cc(Cl)cs1)NCc1c(O)cccc1F ZINC001652297930 1195577565 /nfs/dbraw/zinc/57/75/65/1195577565.db2.gz CASUCHNESSSHRD-UHFFFAOYSA-N 0 0 313.781 3.495 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@H]1C[C@H]1c1c(F)cccc1F ZINC001652298747 1195578399 /nfs/dbraw/zinc/57/83/99/1195578399.db2.gz PSWUIFBTXYEJHX-ZJUUUORDSA-N 0 0 321.298 3.229 20 10 DGCDRN Cc1cccc2c(CC(=O)NCc3c(O)cccc3F)c[nH]c21 ZINC001652298711 1195578432 /nfs/dbraw/zinc/57/84/32/1195578432.db2.gz NYAGIKVQCAYWPB-UHFFFAOYSA-N 0 0 312.344 3.180 20 10 DGCDRN Cc1nc(NCc2cc(F)ccc2O)ccc1-c1cnn(C)c1 ZINC001652516997 1195610451 /nfs/dbraw/zinc/61/04/51/1195610451.db2.gz QZXKSZDYBNRHOL-UHFFFAOYSA-N 0 0 312.348 3.247 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1ccc(C(F)F)cc1F ZINC001652625796 1195629257 /nfs/dbraw/zinc/62/92/57/1195629257.db2.gz MKVUZIZSIZJWBW-UHFFFAOYSA-N 0 0 311.259 3.105 20 10 DGCDRN Cn1nnc2cc(NCc3cc(Cl)c(F)cc3O)ccc21 ZINC001652722353 1195640263 /nfs/dbraw/zinc/64/02/63/1195640263.db2.gz XVFSCEYPNWCRSI-UHFFFAOYSA-N 0 0 306.728 3.079 20 10 DGCDRN COc1cccc([C@@H](C[NH2+]Cc2cc(F)c(F)cc2[O-])OC)c1 ZINC001652865451 1195663610 /nfs/dbraw/zinc/66/36/10/1195663610.db2.gz HAXIGRCTCAVALB-QGZVFWFLSA-N 0 0 323.339 3.156 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]CCC1CSC1 ZINC001653270134 1195706057 /nfs/dbraw/zinc/70/60/57/1195706057.db2.gz SQLXWQMHSZYTMT-UHFFFAOYSA-N 0 0 320.227 3.137 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)C1(c2ccccc2)CC1 ZINC001653563576 1195734169 /nfs/dbraw/zinc/73/41/69/1195734169.db2.gz CZMOBXNWVZPQPG-UHFFFAOYSA-N 0 0 301.773 3.394 20 10 DGCDRN COc1cc(CC(=O)NCc2cccc(Cl)c2O)ccc1C ZINC001653563952 1195734375 /nfs/dbraw/zinc/73/43/75/1195734375.db2.gz UTYRMRCVRZSVRT-UHFFFAOYSA-N 0 0 319.788 3.222 20 10 DGCDRN CCOC(=O)CN(CCc1ccccc1)c1ccc(OC)cc1 ZINC001653680355 1195744120 /nfs/dbraw/zinc/74/41/20/1195744120.db2.gz VYFFAMJFHLATFX-UHFFFAOYSA-N 0 0 313.397 3.307 20 10 DGCDRN CCOc1ccc(N(CC2CC2)C[C@@H]2C[C@H]3COC[C@@H]3O2)cc1 ZINC001654518158 1195812209 /nfs/dbraw/zinc/81/22/09/1195812209.db2.gz HXPGHTSCZZVPJW-SNRMKQJTSA-N 0 0 317.429 3.106 20 10 DGCDRN CCOc1ccc(N(CC2CC2)C[C@@H]2C[C@H]3COC[C@H]3O2)cc1 ZINC001654518159 1195812676 /nfs/dbraw/zinc/81/26/76/1195812676.db2.gz HXPGHTSCZZVPJW-ZYSHUDEJSA-N 0 0 317.429 3.106 20 10 DGCDRN CN(C)c1ccc(/C=C/CNc2ccc(-n3ccnn3)cc2)cc1 ZINC001655844030 1195969053 /nfs/dbraw/zinc/96/90/53/1195969053.db2.gz DCJRWDGQXDEMPA-ONEGZZNKSA-N 0 0 319.412 3.459 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)N2CCCC[C@@H]2C)cc1 ZINC001655892572 1195974160 /nfs/dbraw/zinc/97/41/60/1195974160.db2.gz CJVKPVJQWFYRSY-HNNXBMFYSA-N 0 0 319.449 3.058 20 10 DGCDRN CN(C)c1ccc(/C=C/CNc2cccc3c2OCC(=O)N3)cc1 ZINC001656360716 1196032375 /nfs/dbraw/zinc/03/23/75/1196032375.db2.gz KAZXNUQSQDTAKD-SNAWJCMRSA-N 0 0 323.396 3.209 20 10 DGCDRN C[C@@]1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCCC[C@@H]1O ZINC001656689458 1196062611 /nfs/dbraw/zinc/06/26/11/1196062611.db2.gz XXVBZULUKQCWEL-ZFWWWQNUSA-N 0 0 301.789 3.216 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNc1ccnn1C[C@H]1CCOC1 ZINC001657076861 1196102026 /nfs/dbraw/zinc/10/20/26/1196102026.db2.gz OMTRAAKTFLIOQN-OAHLLOKOSA-N 0 0 324.428 3.332 20 10 DGCDRN CCc1nnc([C@@H](C)NCc2ccc(N3CCCCC3)cc2)[nH]1 ZINC001657087525 1196103501 /nfs/dbraw/zinc/10/35/01/1196103501.db2.gz GQCIEXFFFNLBRR-CQSZACIVSA-N 0 0 313.449 3.208 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC001657488136 1196148174 /nfs/dbraw/zinc/14/81/74/1196148174.db2.gz SXEUPMFTQYGDKB-LLVKDONJSA-N 0 0 321.783 3.354 20 10 DGCDRN CC(=O)CN(Cc1ccc(C)s1)c1ccc2c(c1)OCCO2 ZINC001657615831 1196160255 /nfs/dbraw/zinc/16/02/55/1196160255.db2.gz OLMRYDBOEFEBNO-UHFFFAOYSA-N 0 0 317.410 3.423 20 10 DGCDRN COc1cc(C)c(CNc2ccc3c(c2)C[C@@H](OC)C3)c(O)c1 ZINC001657755203 1196175381 /nfs/dbraw/zinc/17/53/81/1196175381.db2.gz YENSMKVIHXXWQA-KRWDZBQOSA-N 0 0 313.397 3.435 20 10 DGCDRN CC1(C)CC[C@@H](O)[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC001657789065 1196178124 /nfs/dbraw/zinc/17/81/24/1196178124.db2.gz YLJCCYSKLZWLDG-DGCLKSJQSA-N 0 0 301.789 3.214 20 10 DGCDRN COc1ccc2c(c1)CCCCN2Cc1nccn1CC(F)F ZINC001657841488 1196184512 /nfs/dbraw/zinc/18/45/12/1196184512.db2.gz CTZOUEHBNZZOJZ-UHFFFAOYSA-N 0 0 321.371 3.500 20 10 DGCDRN Oc1cc(F)c(F)cc1CNc1ccc(OC(F)F)nc1 ZINC001657885665 1196190881 /nfs/dbraw/zinc/19/08/81/1196190881.db2.gz ADGPMZLSMYYLIL-UHFFFAOYSA-N 0 0 302.227 3.279 20 10 DGCDRN CN(C)c1ccc(/C=C/CNc2ccc(C(N)=O)c(F)c2)cc1 ZINC001657903146 1196192118 /nfs/dbraw/zinc/19/21/18/1196192118.db2.gz JBACJQIRLVDHPD-ONEGZZNKSA-N 0 0 313.376 3.116 20 10 DGCDRN CCCN(CCC)c1ccc(CNc2nc(N(C)C)n[nH]2)cc1 ZINC001657931301 1196194684 /nfs/dbraw/zinc/19/46/84/1196194684.db2.gz WHHAYSNKIMHVJL-UHFFFAOYSA-N 0 0 316.453 3.109 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNCc1cc(N(C)C)cc[nH+]1 ZINC001658003510 1196200880 /nfs/dbraw/zinc/20/08/80/1196200880.db2.gz PMBOOQXNGDXHFI-UHFFFAOYSA-N 0 0 308.429 3.238 20 10 DGCDRN CCC[N@H+](CCN1CCCCC1)Cc1cc(F)cc(F)c1[O-] ZINC001658073822 1196209789 /nfs/dbraw/zinc/20/97/89/1196209789.db2.gz LDGMYDXGJZTXEB-UHFFFAOYSA-N 0 0 312.404 3.368 20 10 DGCDRN CC[C@@H]1C[N@H+](CC)CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC001658102533 1196211886 /nfs/dbraw/zinc/21/18/86/1196211886.db2.gz PYLSEPXRIUNEJS-CYBMUJFWSA-N 0 0 300.805 3.101 20 10 DGCDRN Cc1noc(-c2ccc(NCc3ccc(Cl)cc3O)cn2)n1 ZINC001658140294 1196215779 /nfs/dbraw/zinc/21/57/79/1196215779.db2.gz PTRYPYJVSKNVPZ-UHFFFAOYSA-N 0 0 316.748 3.411 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1CCC[C@H]1C(=O)OC(C)(C)C ZINC001658475243 1196262049 /nfs/dbraw/zinc/26/20/49/1196262049.db2.gz HYYWNLNHYKUABF-KRWDZBQOSA-N 0 0 318.461 3.367 20 10 DGCDRN CC1CCC([NH+]2CCN(Cc3cc(F)cc(F)c3[O-])CC2)CC1 ZINC001658514389 1196268770 /nfs/dbraw/zinc/26/87/70/1196268770.db2.gz XTBUIKNUOFQKCG-UHFFFAOYSA-N 0 0 324.415 3.367 20 10 DGCDRN Cn1cc(NCc2cc(F)c(F)cc2O)c(-c2ccccn2)n1 ZINC001658836373 1196306612 /nfs/dbraw/zinc/30/66/12/1196306612.db2.gz XRCOLIGHIJKVNS-UHFFFAOYSA-N 0 0 316.311 3.078 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001659847634 1196421201 /nfs/dbraw/zinc/42/12/01/1196421201.db2.gz KVLUWCAQOIIXBU-OAHLLOKOSA-N 0 0 323.314 3.463 20 10 DGCDRN O=C1CC[C@@H](c2ccccc2NCc2cc(F)c(F)cc2O)N1 ZINC001660615105 1196503977 /nfs/dbraw/zinc/50/39/77/1196503977.db2.gz ISLOMEMERSMSOI-HNNXBMFYSA-N 0 0 318.323 3.234 20 10 DGCDRN CCc1noc([C@H]2CC[C@H]([NH2+]Cc3cc(F)c(F)cc3[O-])C2)n1 ZINC001660801096 1196526879 /nfs/dbraw/zinc/52/68/79/1196526879.db2.gz ZUCNHUQSHDXQKY-ONGXEEELSA-N 0 0 323.343 3.042 20 10 DGCDRN CN(C)c1nc(CNCc2ccc(N3CCCC3)cc2)cs1 ZINC001661626114 1196625436 /nfs/dbraw/zinc/62/54/36/1196625436.db2.gz YVWZDULYUNQGGC-UHFFFAOYSA-N 0 0 316.474 3.099 20 10 DGCDRN CCC1(CC)[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])[C@H](C)[C@H]1OC ZINC001662083584 1196679392 /nfs/dbraw/zinc/67/93/92/1196679392.db2.gz LVAUHFPGIWFWPK-IUIKQTSFSA-N 0 0 322.405 3.230 20 10 DGCDRN CCc1nnc([C@@H](C)[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])[nH]1 ZINC001662111895 1196682062 /nfs/dbraw/zinc/68/20/62/1196682062.db2.gz DBYUFQUEMRRUHG-SSDOTTSWSA-N 0 0 315.204 3.230 20 10 DGCDRN Cc1cccc2c1OC[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C2 ZINC001662571498 1196730859 /nfs/dbraw/zinc/73/08/59/1196730859.db2.gz IAPLQAWZDMWLAD-CQSZACIVSA-N 0 0 305.324 3.072 20 10 DGCDRN Cc1cc(O)c(C[NH2+]C[C@H]2CCN2C2CCCC2)c(Cl)c1 ZINC001663015283 1196783811 /nfs/dbraw/zinc/78/38/11/1196783811.db2.gz BVSWBFJBYKOFHE-CQSZACIVSA-N 0 0 308.853 3.461 20 10 DGCDRN C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001663949872 1196960119 /nfs/dbraw/zinc/96/01/19/1196960119.db2.gz OSKIEGIXSIYGLM-LLVKDONJSA-N 0 0 307.340 3.439 20 10 DGCDRN Cn1cnc(-c2cccc(NCc3cc(F)c(F)cc3O)c2)n1 ZINC001664218750 1196980994 /nfs/dbraw/zinc/98/09/94/1196980994.db2.gz SBLVNVGEXWFGLP-UHFFFAOYSA-N 0 0 316.311 3.078 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)OC2CCCC2)cc1 ZINC001664245261 1196982943 /nfs/dbraw/zinc/98/29/43/1196982943.db2.gz ITBUGJNAAGEZTP-UHFFFAOYSA-N 0 0 306.406 3.142 20 10 DGCDRN COC(=O)[C@H](C[NH2+]Cc1cc(Cl)c(C)cc1O)CC(C)C ZINC001664892123 1197076737 /nfs/dbraw/zinc/07/67/37/1197076737.db2.gz QXTRODLRLDTAJJ-ZDUSSCGKSA-N 0 0 313.825 3.279 20 10 DGCDRN COC(=O)[C@@H](C[NH2+]Cc1cc(Cl)c(C)cc1O)CC(C)C ZINC001664892122 1197077324 /nfs/dbraw/zinc/07/73/24/1197077324.db2.gz QXTRODLRLDTAJJ-CYBMUJFWSA-N 0 0 313.825 3.279 20 10 DGCDRN Cc1cc(CNS(=O)(=O)CC(C)C)c(C)n1-c1ccccc1 ZINC001664903695 1197078510 /nfs/dbraw/zinc/07/85/10/1197078510.db2.gz YQRNIGPPYCRVHT-UHFFFAOYSA-N 0 0 320.458 3.170 20 10 DGCDRN [O-]c1c(F)cccc1C[N@@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001665916518 1197216511 /nfs/dbraw/zinc/21/65/11/1197216511.db2.gz ZKNJDAJZOFVELY-QGZVFWFLSA-N 0 0 301.361 3.495 20 10 DGCDRN COCc1cccc(NC(=O)NCc2cc(C)ccc2O)c1 ZINC001667466247 1197351446 /nfs/dbraw/zinc/35/14/46/1197351446.db2.gz HXKWDGYLTRIFDU-UHFFFAOYSA-N 0 0 300.358 3.169 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)cc1F ZINC001667686012 1197378998 /nfs/dbraw/zinc/37/89/98/1197378998.db2.gz JZWXDGCOVPGRJU-VHDGCEQUSA-N 0 0 319.424 3.127 20 10 DGCDRN C[C@H](NC(=O)Nc1ccc([S@@](C)=O)cc1)c1ccccc1O ZINC001668527315 1197417706 /nfs/dbraw/zinc/41/77/06/1197417706.db2.gz NAKQFJYWXMOICN-KPWVOAKYSA-N 0 0 318.398 3.012 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCCc2cccc(F)c2F)c1 ZINC001668873217 1197433030 /nfs/dbraw/zinc/43/30/30/1197433030.db2.gz UUSSEVBYPROHAZ-UHFFFAOYSA-N 0 0 320.339 3.021 20 10 DGCDRN C[C@H](NC(=O)NC[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC001671852161 1197575366 /nfs/dbraw/zinc/57/53/66/1197575366.db2.gz RYGCXMBOOOHKAB-YAHNNNEBSA-N 0 0 315.461 3.405 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)Nc1cncc(Cl)c1 ZINC001672139723 1197593270 /nfs/dbraw/zinc/59/32/70/1197593270.db2.gz SSVNRPKWXOVLCY-UHFFFAOYSA-N 0 0 312.156 3.416 20 10 DGCDRN CSc1cc(NC(=O)N[C@@H](C)c2ccccc2O)ccn1 ZINC001673199916 1197643279 /nfs/dbraw/zinc/64/32/79/1197643279.db2.gz FNKAVHPDUSCKFE-JTQLQIEISA-N 0 0 303.387 3.392 20 10 DGCDRN O=C(Nc1ncccn1)N(Cc1ccco1)Cc1ccccc1O ZINC001673242932 1197647196 /nfs/dbraw/zinc/64/71/96/1197647196.db2.gz MUTVYJNNNOEMAU-UHFFFAOYSA-N 0 0 324.340 3.010 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)NCCCC(C)C)cc1 ZINC001674163702 1197741353 /nfs/dbraw/zinc/74/13/53/1197741353.db2.gz PRLYJFATJJXSSL-UHFFFAOYSA-N 0 0 321.465 3.209 20 10 DGCDRN O=C(NCC[C@@H]1CC[C@H]2C[C@H]21)NCc1cccc(Cl)c1O ZINC001676091126 1198225923 /nfs/dbraw/zinc/22/59/23/1198225923.db2.gz BLHOXLSBWJFEPM-GVXVVHGQSA-N 0 0 308.809 3.281 20 10 DGCDRN O=C(NCc1cccc(F)c1)NCc1cccc(Cl)c1O ZINC001676419756 1198318042 /nfs/dbraw/zinc/31/80/42/1198318042.db2.gz CGSYAQALDDZEBK-UHFFFAOYSA-N 0 0 308.740 3.184 20 10 DGCDRN C[C@@H]1CC=CC[C@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC001676728030 1198375167 /nfs/dbraw/zinc/37/51/67/1198375167.db2.gz KSFFOBIGPNOKOK-CXAGYDPISA-N 0 0 314.429 3.425 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC[C@@]23C[C@@H]2CCCC3)cc1 ZINC001676943509 1198439397 /nfs/dbraw/zinc/43/93/97/1198439397.db2.gz PUNHZHQEBVWFOH-MAUKXSAKSA-N 0 0 301.434 3.132 20 10 DGCDRN CC(=O)c1cc(NC(=O)NCc2cc(C)ccc2O)ccc1F ZINC001677406696 1198529098 /nfs/dbraw/zinc/52/90/98/1198529098.db2.gz YLKNFAHBYJKWCT-UHFFFAOYSA-N 0 0 316.332 3.364 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCCc2ccc(F)cc2F)c1 ZINC001677453372 1198538863 /nfs/dbraw/zinc/53/88/63/1198538863.db2.gz FGDITJQTUQAGCD-UHFFFAOYSA-N 0 0 320.339 3.021 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CC2(C)C)cc1F ZINC001678606711 1198709311 /nfs/dbraw/zinc/70/93/11/1198709311.db2.gz RENJISNOVGQWKD-HNNXBMFYSA-N 0 0 307.413 3.270 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCCC[C@@H]1F ZINC001679556457 1198807085 /nfs/dbraw/zinc/80/70/85/1198807085.db2.gz XCBNFOUWTPLJLG-DLBZAZTESA-N 0 0 317.408 3.143 20 10 DGCDRN C[C@@H](NC(=O)Nc1cnc(F)c(Cl)c1)c1ccccc1O ZINC001680718167 1198911741 /nfs/dbraw/zinc/91/17/41/1198911741.db2.gz GFYYZUNHNHKKAN-MRVPVSSYSA-N 0 0 309.728 3.462 20 10 DGCDRN C[C@@H](NC(=O)NCCC1CC=CC1)c1ccc(N(C)C)cc1 ZINC001681552244 1199034949 /nfs/dbraw/zinc/03/49/49/1199034949.db2.gz MTAUZFAKMFCXNH-CQSZACIVSA-N 0 0 301.434 3.469 20 10 DGCDRN COc1cccc(CNC(=O)NC[C@H]2C[C@H](C)C[C@H](C)C2)c1O ZINC001682577660 1199173882 /nfs/dbraw/zinc/17/38/82/1199173882.db2.gz DFIYAERAPFPPFZ-WDNDVIMCSA-N 0 0 320.433 3.272 20 10 DGCDRN COC1(CNC(=O)N[C@@H](C)c2ccccc2O)CCCCCC1 ZINC001684602232 1199398669 /nfs/dbraw/zinc/39/86/69/1199398669.db2.gz WTZQJQGJQXOQSK-AWEZNQCLSA-N 0 0 320.433 3.492 20 10 DGCDRN CC(C)[C@@H]1C[C@H]1CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001686173375 1199537849 /nfs/dbraw/zinc/53/78/49/1199537849.db2.gz HGUQCNBFCQFVSL-KMFMINBZSA-N 0 0 303.450 3.405 20 10 DGCDRN CN(Cc1ccccc1O)c1nnc(C2CC2)n1Cc1ccco1 ZINC001768682088 1199826439 /nfs/dbraw/zinc/82/64/39/1199826439.db2.gz SGBZFHNUFSFYBD-UHFFFAOYSA-N 0 0 324.384 3.139 20 10 DGCDRN CC/C=C\Cn1c(CC)nnc1N(C)Cc1ccccc1O ZINC001694997310 1201115944 /nfs/dbraw/zinc/11/59/44/1201115944.db2.gz OWGFSFWNBRRASZ-TWGQIWQCSA-N 0 0 300.406 3.149 20 10 DGCDRN COc1cc(F)cc(NC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000162452113 1203455955 /nfs/dbraw/zinc/45/59/55/1203455955.db2.gz SBGFKEFAEMICEW-UHFFFAOYSA-N 0 0 317.364 3.222 20 10 DGCDRN CCN1CCN(C(=O)/C=C\c2cncc(F)c2)c2ccccc21 ZINC000255599856 1203850120 /nfs/dbraw/zinc/85/01/20/1203850120.db2.gz YJTDZTMPWOMDNZ-FPLPWBNLSA-N 0 0 311.360 3.107 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@H]2CC[C@@H](C(=O)[O-])C2)cc1F ZINC001589728537 950476144 /nfs/dbraw/zinc/47/61/44/950476144.db2.gz CVRBTNNHDLGSGV-KGLIPLIRSA-N 0 0 308.397 3.015 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@H]2CCC[C@H]2C(=O)[O-])cc1F ZINC001589728538 950476416 /nfs/dbraw/zinc/47/64/16/950476416.db2.gz DCDDHMRCXQJHIP-HIFRSBDPSA-N 0 0 308.397 3.015 20 10 DGCDRN O=C([O-])[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)c2ccccc21 ZINC001594903414 954653137 /nfs/dbraw/zinc/65/31/37/954653137.db2.gz UJSDNGIRLJVTSE-ROUUACIJSA-N 0 0 323.392 3.414 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[NH2+][C@](C)(C(=O)[O-])c1ccccc1 ZINC001333125027 961647083 /nfs/dbraw/zinc/64/70/83/961647083.db2.gz ORSJFVRNKMFARF-IBGZPJMESA-N 0 0 312.413 3.151 20 10 DGCDRN CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)C1(C)C ZINC001591695728 975524846 /nfs/dbraw/zinc/52/48/46/975524846.db2.gz JNQOHXGHWZNAHJ-KNXALSJPSA-N 0 0 321.417 3.333 20 10 DGCDRN CC(C)c1cc(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)on1 ZINC001591931552 976440131 /nfs/dbraw/zinc/44/01/31/976440131.db2.gz VFEXLPUYYBJCMP-JTQLQIEISA-N 0 0 304.346 3.053 20 10 DGCDRN C[C@H](COc1ccccc1)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001592782806 979420192 /nfs/dbraw/zinc/42/01/92/979420192.db2.gz MBPSHKDUXAPRPV-OLZOCXBDSA-N 0 0 315.369 3.209 20 10 DGCDRN CCCC[N@H+](Cc1ccccc1O)[C@H](C(=O)[O-])C1(OC)CCC1 ZINC001595747670 982414523 /nfs/dbraw/zinc/41/45/23/982414523.db2.gz IKHOXPXDCFFCLI-MRXNPFEDSA-N 0 0 321.417 3.017 20 10 DGCDRN CCC[N@H+](Cc1cc(C)c(C(=O)[O-])[nH]1)Cc1ccccc1O ZINC001595885692 982907503 /nfs/dbraw/zinc/90/75/03/982907503.db2.gz BFFCHIXPZWKRPJ-UHFFFAOYSA-N 0 0 302.374 3.139 20 10 DGCDRN CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CC[C@@H](CC(=O)[O-])[C@H]1C ZINC001595894627 982931544 /nfs/dbraw/zinc/93/15/44/982931544.db2.gz NYOTYPULDRPMDH-UKPHBRMFSA-N 0 0 304.434 3.251 20 10 DGCDRN C[C@@H]([NH2+]Cc1[nH]cc(C(=O)[O-])c1C1CC1)c1ccccc1O ZINC001599841644 988847828 /nfs/dbraw/zinc/84/78/28/988847828.db2.gz ZGSLNDIBJXDBCN-SNVBAGLBSA-N 0 0 300.358 3.147 20 10 DGCDRN COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CC(C)(C)CC(=O)[O-])c1 ZINC001599598281 993777904 /nfs/dbraw/zinc/77/79/04/993777904.db2.gz KKKNBHDZBSUPNJ-NWDGAFQWSA-N 0 0 309.406 3.331 20 10 DGCDRN C[C@H]([NH2+][C@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC001593196123 994153314 /nfs/dbraw/zinc/15/33/14/994153314.db2.gz UPSFOMBRINCKIB-SJCJKPOMSA-N 0 0 316.376 3.368 20 10 DGCDRN C[C@H]([NH2+][C@H](c1cccnc1)C1CC1)c1cc(C(=O)[O-])ccc1O ZINC001593208267 994222371 /nfs/dbraw/zinc/22/23/71/994222371.db2.gz AJEINNILGBRSTQ-GTNSWQLSSA-N 0 0 312.369 3.287 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1cc(C(=O)[O-])ccc1O ZINC001593234251 994398032 /nfs/dbraw/zinc/39/80/32/994398032.db2.gz WSECLDSJYSEOBM-OCCSQVGLSA-N 0 0 319.401 3.233 20 10 DGCDRN C[C@H]([NH2+]CC(C)(C)CC(F)F)c1cc(C(=O)[O-])ccc1O ZINC001593241174 994435947 /nfs/dbraw/zinc/43/59/47/994435947.db2.gz WMPJWHNSPUYXLP-VIFPVBQESA-N 0 0 301.333 3.422 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CC12CCSCC2)c1cc(C(=O)[O-])ccc1O ZINC001593252041 994501979 /nfs/dbraw/zinc/50/19/79/994501979.db2.gz MNLSEOIZVSQRDQ-AAEUAGOBSA-N 0 0 321.442 3.274 20 10 DGCDRN C[C@H]([NH2+]CCC[C@H]1CCCCO1)c1cc(C(=O)[O-])ccc1O ZINC001593264425 994565567 /nfs/dbraw/zinc/56/55/67/994565567.db2.gz KIHFAABAYPMXHY-GXTWGEPZSA-N 0 0 307.390 3.090 20 10 DGCDRN COc1cc(C[N@H+](CCC(=O)[O-])C(C)C)c(O)c(C(C)(C)C)c1 ZINC001599406515 997316088 /nfs/dbraw/zinc/31/60/88/997316088.db2.gz HZXIJDSJKLLCFC-UHFFFAOYSA-N 0 0 323.433 3.383 20 10 DGCDRN CC(C)(C)c1nc(Cl)cc(NCc2ccc(O)c(O)c2)n1 ZINC001169990555 1081791697 /nfs/dbraw/zinc/79/16/97/1081791697.db2.gz JDOROINRLOOPLY-UHFFFAOYSA-N 0 0 307.781 3.451 20 10 DGCDRN Oc1ccc(CNc2nc(Cl)nc3cc(F)ccc32)cc1O ZINC001169992687 1081795050 /nfs/dbraw/zinc/79/50/50/1081795050.db2.gz ARCKUVJNDNDUQA-UHFFFAOYSA-N 0 0 319.723 3.446 20 10 DGCDRN Oc1ccc(CNc2cccc(COCC3CC3)n2)cc1O ZINC001169992716 1081795739 /nfs/dbraw/zinc/79/57/39/1081795739.db2.gz LJJQPEXNHWSRHT-UHFFFAOYSA-N 0 0 300.358 3.032 20 10 DGCDRN Cc1c(Cl)nc(C2CC2)nc1NCc1ccc(O)c(O)c1 ZINC001169992596 1081796296 /nfs/dbraw/zinc/79/62/96/1081796296.db2.gz GTJYLZZRGJAMGW-UHFFFAOYSA-N 0 0 305.765 3.339 20 10 DGCDRN Cc1nc(Cl)nc(Cl)c1NCc1ccc(O)c(O)c1 ZINC001169995316 1081819099 /nfs/dbraw/zinc/81/90/99/1081819099.db2.gz YQXXHOCHSUWVKP-UHFFFAOYSA-N 0 0 300.145 3.115 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Cc2cncc3ccccc32)c1 ZINC001167293922 1081912944 /nfs/dbraw/zinc/91/29/44/1081912944.db2.gz USABJDADDHBCMP-UHFFFAOYSA-N 0 0 306.365 3.108 20 10 DGCDRN CN(C)c1ccc(CN(C)c2cc(Cl)ncc2[N+](=O)[O-])cc1 ZINC001156924007 1081925484 /nfs/dbraw/zinc/92/54/84/1081925484.db2.gz KPYXKJIXYWPSBR-UHFFFAOYSA-N 0 0 320.780 3.346 20 10 DGCDRN CCc1cccc(C)c1N(C)S(=O)(=O)Cc1ccc(N)cc1 ZINC001210875825 1082039508 /nfs/dbraw/zinc/03/95/08/1082039508.db2.gz ZQRZSCHOXNPARK-UHFFFAOYSA-N 0 0 318.442 3.106 20 10 DGCDRN O=C(/C=C\Sc1ccccc1)NCc1ccc(O)c(O)c1 ZINC000588401424 1082143164 /nfs/dbraw/zinc/14/31/64/1082143164.db2.gz ZDWPNCVQSBYSPX-HJWRWDBZSA-N 0 0 301.367 3.020 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccccc1N1CCCC1 ZINC000588403621 1082147311 /nfs/dbraw/zinc/14/73/11/1082147311.db2.gz RUZMKSILQGDJRA-NTMALXAHSA-N 0 0 324.380 3.350 20 10 DGCDRN CC(C)(CNC(=O)/C=C\c1ccc(O)c(O)c1)c1cccs1 ZINC000588404683 1082149224 /nfs/dbraw/zinc/14/92/24/1082149224.db2.gz NEWQVHVLYCDMLD-VURMDHGXSA-N 0 0 317.410 3.267 20 10 DGCDRN Cc1cc(C)c(CNC(=O)/C=C\c2ccc(O)c(O)c2)c(C)c1 ZINC000588405380 1082150348 /nfs/dbraw/zinc/15/03/48/1082150348.db2.gz KDAVZUDRXXVUPK-ALCCZGGFSA-N 0 0 311.381 3.353 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc2ncsc2c1 ZINC000588406328 1082152354 /nfs/dbraw/zinc/15/23/54/1082152354.db2.gz MQYJPFQMFYLDHG-KXFIGUGUSA-N 0 0 312.350 3.359 20 10 DGCDRN C[C@H](CN1CCC[C@@H](C)C1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001648914186 1082336830 /nfs/dbraw/zinc/33/68/30/1082336830.db2.gz PVUGWYILPCLHCI-VXGBXAGGSA-N 0 0 314.832 3.395 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(N[C@]2(C)CCS(=O)(=O)C2)cc1 ZINC001170555894 1082664726 /nfs/dbraw/zinc/66/47/26/1082664726.db2.gz HZBQAMNMOCSDFU-QGZVFWFLSA-N 0 0 318.442 3.083 20 10 DGCDRN COc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)ccc1Cl ZINC000588611492 1082845929 /nfs/dbraw/zinc/84/59/29/1082845929.db2.gz SEAIVMRTULXLFA-CLTKARDFSA-N 0 0 319.744 3.412 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)OCC(F)(F)F ZINC000106003048 1083142519 /nfs/dbraw/zinc/14/25/19/1083142519.db2.gz QFWYWSNIHSKPAU-UHFFFAOYSA-N 0 0 304.312 3.273 20 10 DGCDRN CCC1(NC(=O)OC(C)(C)C)CN(Cc2ccc(C)cc2O)C1 ZINC001140958332 1083226622 /nfs/dbraw/zinc/22/66/22/1083226622.db2.gz YDUJJOPDCKHHFL-UHFFFAOYSA-N 0 0 320.433 3.190 20 10 DGCDRN Cc1ccccc1CC(C)(C)NC(=O)c1ccc(C)c(O)c1O ZINC001143500414 1083270738 /nfs/dbraw/zinc/27/07/38/1083270738.db2.gz SPUYRLLOFVOSBB-UHFFFAOYSA-N 0 0 313.397 3.466 20 10 DGCDRN COC(=O)c1ccc(NCc2ccc(C)cc2O)c(OC)c1 ZINC001180928309 1083370412 /nfs/dbraw/zinc/37/04/12/1083370412.db2.gz XVOKCGDLICYSQA-UHFFFAOYSA-N 0 0 301.342 3.108 20 10 DGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)[C@@H]2CCCC[C@H]2O)cc1 ZINC001181085036 1083399630 /nfs/dbraw/zinc/39/96/30/1083399630.db2.gz GYVSLERVZOULIK-RTBURBONSA-N 0 0 324.424 3.353 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1C[C@H]1C1CCCC1 ZINC001181441641 1083476883 /nfs/dbraw/zinc/47/68/83/1083476883.db2.gz HVRKLWKCXHEQGN-ODYMAQSMSA-N 0 0 301.386 3.054 20 10 DGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)C2CC3(COC3)C2)cc1 ZINC001181616016 1083501992 /nfs/dbraw/zinc/50/19/92/1083501992.db2.gz YMENSFOXNMBCDC-UHFFFAOYSA-N 0 0 322.408 3.229 20 10 DGCDRN C[C@H]1CN(Cc2cc(F)c(F)cc2O)Cc2ccccc2O1 ZINC001182129660 1083626944 /nfs/dbraw/zinc/62/69/44/1083626944.db2.gz ZBLWVLSOVNIMBD-NSHDSACASA-N 0 0 305.324 3.454 20 10 DGCDRN Cc1ccc(CCNC(=O)CCc2ccc(O)c(O)c2)c(C)c1 ZINC001182155345 1083635054 /nfs/dbraw/zinc/63/50/54/1083635054.db2.gz FVQNNFDOPJOCSU-UHFFFAOYSA-N 0 0 313.397 3.006 20 10 DGCDRN COc1ccc(C(C)(C)CC(=O)NCc2ccccc2O)cc1 ZINC001182438498 1083715827 /nfs/dbraw/zinc/71/58/27/1083715827.db2.gz AOZRIDWGGOKVPY-UHFFFAOYSA-N 0 0 313.397 3.385 20 10 DGCDRN Cc1cc(C)c(C(=O)NCc2ccc(N(C)C)cc2C)c(C)n1 ZINC001126004473 1083757264 /nfs/dbraw/zinc/75/72/64/1083757264.db2.gz DLHJKOGCTYSRQY-UHFFFAOYSA-N 0 0 311.429 3.311 20 10 DGCDRN Cc1cc(C)c(CNC(=O)C(=O)c2ccc(Cl)cc2)c(O)c1 ZINC001182898446 1083835056 /nfs/dbraw/zinc/83/50/56/1083835056.db2.gz NLZHZXIQJYCKPQ-UHFFFAOYSA-N 0 0 317.772 3.162 20 10 DGCDRN O=C1CSc2cc(NCc3cc(F)c(F)cc3O)ccc2N1 ZINC001183442710 1083950232 /nfs/dbraw/zinc/95/02/32/1083950232.db2.gz FPWUPJJFSCGPRC-UHFFFAOYSA-N 0 0 322.336 3.327 20 10 DGCDRN CN(Cc1csc(Br)n1)Cc1ccccc1O ZINC001137583992 1083976789 /nfs/dbraw/zinc/97/67/89/1083976789.db2.gz APQGJKRUFFKXKZ-UHFFFAOYSA-N 0 0 313.220 3.243 20 10 DGCDRN Cc1cc(CN2Cc3ccncc3C2)c(O)cc1Br ZINC001250128975 1084022560 /nfs/dbraw/zinc/02/25/60/1084022560.db2.gz SHOWSLOXVYKDBN-UHFFFAOYSA-N 0 0 319.202 3.374 20 10 DGCDRN CCOC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203580327 1084085954 /nfs/dbraw/zinc/08/59/54/1084085954.db2.gz MWWGNHGWGNGIPW-VIFPVBQESA-N 0 0 318.200 3.084 20 10 DGCDRN Cc1cccc(Cl)c1NC(=O)NCc1ccc(O)cc1O ZINC001184557734 1084210964 /nfs/dbraw/zinc/21/09/64/1084210964.db2.gz IYPKWXPURYHVID-UHFFFAOYSA-N 0 0 306.749 3.381 20 10 DGCDRN CC1(C)CC[C@H](C(=O)N2CCCc3cc(O)c(O)cc3C2)C1 ZINC001185167079 1084364779 /nfs/dbraw/zinc/36/47/79/1084364779.db2.gz JYHVYFUMXKJMPP-ZDUSSCGKSA-N 0 0 303.402 3.199 20 10 DGCDRN O=C(N1CCc2cccc(O)c2C1)C12CCC(F)(CC1)CC2 ZINC001185529421 1084465568 /nfs/dbraw/zinc/46/55/68/1084465568.db2.gz SKKYXYVHMSNYQJ-UHFFFAOYSA-N 0 0 303.377 3.339 20 10 DGCDRN Cc1cc(C)c(CNC(=O)NCc2cccc(F)c2)c(O)c1 ZINC001185854357 1084544232 /nfs/dbraw/zinc/54/42/32/1084544232.db2.gz NXIFUUOBFHMYRA-UHFFFAOYSA-N 0 0 302.349 3.148 20 10 DGCDRN Cc1cc(C)c(CNC(=O)C(C)(C)C2CCOCC2)c(O)c1 ZINC001185998579 1084576009 /nfs/dbraw/zinc/57/60/09/1084576009.db2.gz NKBMWNAOHIWZIF-UHFFFAOYSA-N 0 0 305.418 3.078 20 10 DGCDRN CCN(Cc1ccccc1O)C(=O)NCc1cccc(OC)c1 ZINC001186198791 1084608494 /nfs/dbraw/zinc/60/84/94/1084608494.db2.gz RJSMNLBYIXIUNN-UHFFFAOYSA-N 0 0 314.385 3.133 20 10 DGCDRN C[C@@]1(F)CCN(Cc2cc(Br)ccc2O)C[C@@H]1F ZINC001203636607 1084633746 /nfs/dbraw/zinc/63/37/46/1084633746.db2.gz YFYPSVCFFSSSLG-QWHCGFSZSA-N 0 0 320.177 3.427 20 10 DGCDRN CSc1ccccc1NC(=O)NCc1ccc(O)cc1O ZINC001186762535 1084697306 /nfs/dbraw/zinc/69/73/06/1084697306.db2.gz PLOAFFZBNDBUQC-UHFFFAOYSA-N 0 0 304.371 3.141 20 10 DGCDRN OC[C@@H]1CCC[C@@H](C(F)(F)F)N1Cc1cc(Cl)ccc1O ZINC001203651661 1084737001 /nfs/dbraw/zinc/73/70/01/1084737001.db2.gz SBDBOSBDVKUGOU-AAEUAGOBSA-N 0 0 323.742 3.323 20 10 DGCDRN Oc1cc(O)c(CCNc2nccc3cc(F)ccc32)cc1O ZINC001168005336 1086146969 /nfs/dbraw/zinc/14/69/69/1086146969.db2.gz AWCJEQSFEYKMIC-UHFFFAOYSA-N 0 0 314.316 3.145 20 10 DGCDRN Cc1cnc(NCCc2cc(O)c(O)cc2O)c2ccccc12 ZINC001168006828 1086157750 /nfs/dbraw/zinc/15/77/50/1086157750.db2.gz UQDNPJOKCWWICI-UHFFFAOYSA-N 0 0 310.353 3.315 20 10 DGCDRN C[C@H]1CCC[C@H](C[NH2+]Cc2cccc(Br)c2[O-])O1 ZINC000688867034 1086659715 /nfs/dbraw/zinc/65/97/15/1086659715.db2.gz RKCDUKIEPWDCGI-CMPLNLGQSA-N 0 0 314.223 3.202 20 10 DGCDRN C[N@H+](CCC(=O)c1cccs1)Cc1cc(F)c(F)cc1[O-] ZINC001142527225 1087278104 /nfs/dbraw/zinc/27/81/04/1087278104.db2.gz OUSZCOCXIJNRRL-UHFFFAOYSA-N 0 0 311.353 3.437 20 10 DGCDRN C/C(=C/C(=O)N1C[C@H](C)Sc2ccccc21)c1cnccn1 ZINC001126993800 1087435337 /nfs/dbraw/zinc/43/53/37/1087435337.db2.gz ZVTFXHRDRLHERZ-SUIFULHWSA-N 0 0 311.410 3.407 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000176398746 1087723917 /nfs/dbraw/zinc/72/39/17/1087723917.db2.gz WHUZDXDYNDJOQV-IYBDPMFKSA-N 0 0 301.434 3.084 20 10 DGCDRN CN(Cc1ccc2cc[nH]c2c1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001152822746 1088089333 /nfs/dbraw/zinc/08/93/33/1088089333.db2.gz CMHRFICCLAWATJ-QPJJXVBHSA-N 0 0 322.364 3.251 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccn2nccc2c1 ZINC001152838397 1088095432 /nfs/dbraw/zinc/09/54/32/1088095432.db2.gz JMMZFLPTCRXWFP-UHFFFAOYSA-N 0 0 322.412 3.063 20 10 DGCDRN Oc1ccc(CNc2cnc3cccc(Cl)c3n2)cc1O ZINC001158994076 1088122760 /nfs/dbraw/zinc/12/27/60/1088122760.db2.gz CRYXWWOOSPTCSK-UHFFFAOYSA-N 0 0 301.733 3.307 20 10 DGCDRN Oc1ccc(CNc2nccc(Oc3ccccc3)n2)cc1O ZINC001158994325 1088123877 /nfs/dbraw/zinc/12/38/77/1088123877.db2.gz IGHDSQWRYRIDSA-UHFFFAOYSA-N 0 0 309.325 3.292 20 10 DGCDRN CSc1nc2c(c(NCc3ccc(O)c(O)c3)n1)CCCC2 ZINC001158996156 1088125187 /nfs/dbraw/zinc/12/51/87/1088125187.db2.gz YAIQSQPERXVZMJ-UHFFFAOYSA-N 0 0 317.414 3.101 20 10 DGCDRN Oc1ccc(CNc2cnc(OCc3ccccc3)cn2)cc1O ZINC001158998001 1088126748 /nfs/dbraw/zinc/12/67/48/1088126748.db2.gz ZCAZMLASUBPWBL-UHFFFAOYSA-N 0 0 323.352 3.079 20 10 DGCDRN COc1ccccc1-c1ccnc(NCc2ccc(O)c(O)c2)n1 ZINC001158997963 1088126795 /nfs/dbraw/zinc/12/67/95/1088126795.db2.gz XDMCVJHNCRKBRP-UHFFFAOYSA-N 0 0 323.352 3.176 20 10 DGCDRN CC[C@H](C)c1nc2[nH]ccc2c(NCc2ccc(O)c(O)c2)n1 ZINC001159004081 1088133298 /nfs/dbraw/zinc/13/32/98/1088133298.db2.gz CYXBLPPSCGNTOJ-JTQLQIEISA-N 0 0 312.373 3.495 20 10 DGCDRN COC(=O)c1cccc2nc(NCc3ccc(O)c(O)c3)ccc21 ZINC001159004119 1088133697 /nfs/dbraw/zinc/13/36/97/1088133697.db2.gz DQZJTPKHSJKODS-UHFFFAOYSA-N 0 0 324.336 3.045 20 10 DGCDRN C[C@@H](OCc1ccccc1)C(=O)NCc1cccc(Cl)c1O ZINC001159034081 1088153353 /nfs/dbraw/zinc/15/33/53/1088153353.db2.gz QXGRBDUQJORBLO-GFCCVEGCSA-N 0 0 319.788 3.267 20 10 DGCDRN COc1cc(Br)c(C)nc1Nc1ccc(N)cc1 ZINC001159366011 1088320684 /nfs/dbraw/zinc/32/06/84/1088320684.db2.gz QEUYFOKBIOXWMP-UHFFFAOYSA-N 0 0 308.179 3.487 20 10 DGCDRN CC(C)(C)OC(=O)Nc1ncc(Nc2ccc(N)cc2)cn1 ZINC001159485181 1088368826 /nfs/dbraw/zinc/36/88/26/1088368826.db2.gz GMDNVTIUSBATHI-UHFFFAOYSA-N 0 0 301.350 3.149 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)C1(c2ccccc2)CCCC1 ZINC001153879061 1088393021 /nfs/dbraw/zinc/39/30/21/1088393021.db2.gz CPLYUWHEUTZDEL-UHFFFAOYSA-N 0 0 311.381 3.226 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1occc1-c1ccccc1 ZINC001153879803 1088395191 /nfs/dbraw/zinc/39/51/91/1088395191.db2.gz YDHZJHFPKCAORA-UHFFFAOYSA-N 0 0 309.321 3.288 20 10 DGCDRN O=C(C[C@@H]1CCCc2ccccc21)NCc1cc(O)ccc1O ZINC001153885949 1088395875 /nfs/dbraw/zinc/39/58/75/1088395875.db2.gz UHOVCNPOAMNXPI-AWEZNQCLSA-N 0 0 311.381 3.224 20 10 DGCDRN Cc1ccc(NCc2cc(Cl)c3cccnc3c2O)nn1 ZINC001168522762 1088533703 /nfs/dbraw/zinc/53/37/03/1088533703.db2.gz VCXYZPJJYUKKGZ-UHFFFAOYSA-N 0 0 300.749 3.304 20 10 DGCDRN Oc1ccc(Br)cc1CNc1ncc(C2CC2)cn1 ZINC001160019546 1088604901 /nfs/dbraw/zinc/60/49/01/1088604901.db2.gz MGWCKAFWOQXDIX-UHFFFAOYSA-N 0 0 320.190 3.434 20 10 DGCDRN CCCC[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CC[NH2+]1 ZINC001236143171 1088642460 /nfs/dbraw/zinc/64/24/60/1088642460.db2.gz SRFZGOSFGZHTCI-ZDUSSCGKSA-N 0 0 300.805 3.149 20 10 DGCDRN CCN(C)c1ccnc(NCc2cc3ccccc3cc2O)n1 ZINC001160206307 1088697352 /nfs/dbraw/zinc/69/73/52/1088697352.db2.gz LRRFUBGIZKFANE-UHFFFAOYSA-N 0 0 308.385 3.404 20 10 DGCDRN Oc1cc2ccccc2cc1CNc1ncc2c(n1)CCCN2 ZINC001160206928 1088697697 /nfs/dbraw/zinc/69/76/97/1088697697.db2.gz OFRZPRAXNVNTGI-UHFFFAOYSA-N 0 0 306.369 3.306 20 10 DGCDRN CCNc1cccnc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001154669303 1088700353 /nfs/dbraw/zinc/70/03/53/1088700353.db2.gz WNCAFWRLRAWREJ-CYBMUJFWSA-N 0 0 312.417 3.070 20 10 DGCDRN CCN(Cc1ccccc1O)c1cnc2ccc(OC)cc2n1 ZINC001154889142 1088814427 /nfs/dbraw/zinc/81/44/27/1088814427.db2.gz QGKFIMYURRTJGZ-UHFFFAOYSA-N 0 0 309.369 3.371 20 10 DGCDRN O=C(NCc1ccccc1O)c1c[nH]c2c1cccc2Cl ZINC001154982504 1088870306 /nfs/dbraw/zinc/87/03/06/1088870306.db2.gz IUTQYRYWHPEMNU-UHFFFAOYSA-N 0 0 300.745 3.457 20 10 DGCDRN C[C@@H]1Oc2ccccc2[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001160570216 1088880428 /nfs/dbraw/zinc/88/04/28/1088880428.db2.gz BBZRGCJRKILECP-BONVTDFDSA-N 0 0 324.340 3.101 20 10 DGCDRN COC(=O)c1cnc(Cl)cc1NCc1cccc(C)c1O ZINC001160765117 1088947809 /nfs/dbraw/zinc/94/78/09/1088947809.db2.gz SQXZDNYUMVMSFY-UHFFFAOYSA-N 0 0 306.749 3.148 20 10 DGCDRN Cc1cccc(CNc2ccc(N3CCC(C)CC3)nn2)c1O ZINC001160769919 1088950725 /nfs/dbraw/zinc/95/07/25/1088950725.db2.gz MUQFOUPMEHVFNS-UHFFFAOYSA-N 0 0 312.417 3.339 20 10 DGCDRN Cc1cccc(CNC(F)(F)c2cnc(Cl)cc2N)c1O ZINC001160770247 1088950807 /nfs/dbraw/zinc/95/08/07/1088950807.db2.gz XCBFFERHQPZDML-UHFFFAOYSA-N 0 0 313.735 3.170 20 10 DGCDRN Cc1cc(C(F)(F)NCc2cccc(C)c2O)nc(Cl)n1 ZINC001160769700 1088951790 /nfs/dbraw/zinc/95/17/90/1088951790.db2.gz QANQHSYAJCBTIM-UHFFFAOYSA-N 0 0 313.735 3.292 20 10 DGCDRN CCOC(=O)c1cccnc1NCc1c(C)cc(C)cc1O ZINC001160807783 1088970716 /nfs/dbraw/zinc/97/07/16/1088970716.db2.gz DGJRZGLUDDCUIP-UHFFFAOYSA-N 0 0 300.358 3.193 20 10 DGCDRN Cc1cc(C)c(CNc2cc(Cl)nc(N(C)C)n2)c(O)c1 ZINC001160808176 1088970849 /nfs/dbraw/zinc/97/08/49/1088970849.db2.gz NRBBAVSLSZUQJT-UHFFFAOYSA-N 0 0 306.797 3.131 20 10 DGCDRN CCOC(=O)c1cc(F)cnc1NCc1c(C)cc(C)cc1O ZINC001160808054 1088971165 /nfs/dbraw/zinc/97/11/65/1088971165.db2.gz HKYHJPWNSXRQPM-UHFFFAOYSA-N 0 0 318.348 3.332 20 10 DGCDRN CCOC(=O)Cc1ccc(NCc2c(C)cc(C)cc2O)nc1 ZINC001160810162 1088973930 /nfs/dbraw/zinc/97/39/30/1088973930.db2.gz LAMMAXNPIBJVKJ-UHFFFAOYSA-N 0 0 314.385 3.122 20 10 DGCDRN CCN(CC)c1cncc(NCc2c(C)cc(C)cc2O)n1 ZINC001160810345 1088974516 /nfs/dbraw/zinc/97/45/16/1088974516.db2.gz PUWZGAUKQVZJQP-UHFFFAOYSA-N 0 0 300.406 3.257 20 10 DGCDRN Cc1cc(C)c(CNc2ncnc3c2ncn3C2CC2)c(O)c1 ZINC001160811732 1088978088 /nfs/dbraw/zinc/97/80/88/1088978088.db2.gz VBUAAUONRRRIEM-UHFFFAOYSA-N 0 0 309.373 3.096 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2c[nH]c3cc(=O)ccc-3c2)c(O)c1 ZINC001155170017 1088985883 /nfs/dbraw/zinc/98/58/83/1088985883.db2.gz YYTVGQZKISSFIW-UHFFFAOYSA-N 0 0 322.364 3.193 20 10 DGCDRN O=C(c1cc2[nH]ccc2c(F)c1)N1CCc2cccc(O)c2C1 ZINC001155401171 1089093439 /nfs/dbraw/zinc/09/34/39/1089093439.db2.gz FXKORYFDOGPGNE-UHFFFAOYSA-N 0 0 310.328 3.211 20 10 DGCDRN CC(C)[C@@H]1N(C(=O)Cc2ccc(O)c(O)c2)CC12CCCCC2 ZINC001161237403 1089162979 /nfs/dbraw/zinc/16/29/79/1089162979.db2.gz HVYOLNCUZGRWKM-SFHVURJKSA-N 0 0 317.429 3.458 20 10 DGCDRN Cc1n[nH]c2ccc(C(=O)NCc3c(C)cc(C)cc3O)cc12 ZINC001155575796 1089172136 /nfs/dbraw/zinc/17/21/36/1089172136.db2.gz LAZDUHWLMQGEIX-UHFFFAOYSA-N 0 0 309.369 3.124 20 10 DGCDRN Nc1ccc(OC(=O)c2ccc(Nc3cc[nH]c(=O)c3)cc2)cc1 ZINC001212278317 1089239703 /nfs/dbraw/zinc/23/97/03/1089239703.db2.gz SJBKHNSZOHKFEY-UHFFFAOYSA-N 0 0 321.336 3.332 20 10 DGCDRN Cc1cc2ccccc2n1CC(=O)NCc1c(O)cccc1F ZINC001156164111 1089413695 /nfs/dbraw/zinc/41/36/95/1089413695.db2.gz NCQTZZLPVVPYAE-UHFFFAOYSA-N 0 0 312.344 3.111 20 10 DGCDRN CC(C)(Oc1ccccc1)C(=O)NCc1c(O)cccc1F ZINC001156170044 1089415986 /nfs/dbraw/zinc/41/59/86/1089415986.db2.gz DGRYBQBFQCYQLY-UHFFFAOYSA-N 0 0 303.333 3.005 20 10 DGCDRN O=C(CCCC(=O)c1ccccc1)NCc1c(O)cccc1F ZINC001156178323 1089421231 /nfs/dbraw/zinc/42/12/31/1089421231.db2.gz ZQUMRECRGDDDIF-UHFFFAOYSA-N 0 0 315.344 3.201 20 10 DGCDRN CCOc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c(F)c1 ZINC001162211810 1089609272 /nfs/dbraw/zinc/60/92/72/1089609272.db2.gz HGMFMEABNABJJR-YWEYNIOJSA-N 0 0 317.316 3.288 20 10 DGCDRN COc1cccc(CNc2nc3ccccc3n3cncc23)c1O ZINC001162423501 1089728661 /nfs/dbraw/zinc/72/86/61/1089728661.db2.gz ADNRZKGTUFXQPZ-UHFFFAOYSA-N 0 0 320.352 3.209 20 10 DGCDRN CN(C)c1ccc(CN(C)c2ccc(-c3ccco3)nn2)cc1 ZINC001156921034 1089744556 /nfs/dbraw/zinc/74/45/56/1089744556.db2.gz PXPIEGAPUJPEMP-UHFFFAOYSA-N 0 0 308.385 3.439 20 10 DGCDRN C[C@H](C(=O)NCc1ccc2cccnc2c1O)c1cccc(O)c1 ZINC001162612648 1089830458 /nfs/dbraw/zinc/83/04/58/1089830458.db2.gz NUNQWAOESIUGBY-LBPRGKRZSA-N 0 0 322.364 3.066 20 10 DGCDRN Cc1cc2ccccc2nc1NCCc1cc(O)c(O)cc1O ZINC001157239892 1089889674 /nfs/dbraw/zinc/88/96/74/1089889674.db2.gz LZFIYERGXZMSIT-UHFFFAOYSA-N 0 0 310.353 3.315 20 10 DGCDRN COC(=O)c1ccc2cc(NCc3ccc(N)cc3)ncc2c1 ZINC001162786903 1089956121 /nfs/dbraw/zinc/95/61/21/1089956121.db2.gz BUQNDIKAFGSFQY-UHFFFAOYSA-N 0 0 307.353 3.216 20 10 DGCDRN COc1ccccc1-c1cc(NCc2ccc(N)cc2)ncn1 ZINC001162787470 1089957285 /nfs/dbraw/zinc/95/72/85/1089957285.db2.gz LFNYQQWIVWWZJG-UHFFFAOYSA-N 0 0 306.369 3.347 20 10 DGCDRN CCc1[nH]nc(NC(=O)c2cc3cc(O)c(O)cc3s2)c1C ZINC001162831929 1089983127 /nfs/dbraw/zinc/98/31/27/1089983127.db2.gz VPMXQLVUKDUIOK-UHFFFAOYSA-N 0 0 317.370 3.159 20 10 DGCDRN COc1ccc([C@@H](C)NC(=O)c2ccc(C)c(O)c2O)cc1C ZINC001157607561 1090044345 /nfs/dbraw/zinc/04/43/45/1090044345.db2.gz KXVRIKMOQGISEJ-GFCCVEGCSA-N 0 0 315.369 3.214 20 10 DGCDRN COc1cnc(NCc2cc(Cl)c3cccnc3c2O)nc1 ZINC001168527889 1090349254 /nfs/dbraw/zinc/34/92/54/1090349254.db2.gz OFVJUXQCCWDINW-UHFFFAOYSA-N 0 0 316.748 3.005 20 10 DGCDRN C/C(=C\c1cccnc1)C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC001127748492 1090412185 /nfs/dbraw/zinc/41/21/85/1090412185.db2.gz PQPQCLQJXOKCKA-ACCUITESSA-N 0 0 323.352 3.373 20 10 DGCDRN CCO[C@H]1C[C@H](NC(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC001165564563 1090530849 /nfs/dbraw/zinc/53/08/49/1090530849.db2.gz NXLNRQNNERUDMP-HDJSIYSDSA-N 0 0 318.442 3.453 20 10 DGCDRN C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1cc2cnccc2o1 ZINC001203457568 1090533069 /nfs/dbraw/zinc/53/30/69/1090533069.db2.gz LIRCRCKDDMGVHI-JTQLQIEISA-N 0 0 313.313 3.292 20 10 DGCDRN Cc1ccc(Br)c(-c2noc(-c3csnn3)n2)c1 ZINC001212362103 1090575259 /nfs/dbraw/zinc/57/52/59/1090575259.db2.gz MYOKCBJRLZCNIJ-UHFFFAOYSA-N 0 0 323.175 3.326 20 10 DGCDRN COc1c(Cl)ccc(-c2noc(-c3csnn3)n2)c1F ZINC001212362421 1090575934 /nfs/dbraw/zinc/57/59/34/1090575934.db2.gz SPLPAGLRENCVTA-UHFFFAOYSA-N 0 0 312.713 3.056 20 10 DGCDRN Cc1cc(-c2noc(-c3csnn3)n2)ccc1Br ZINC001212362463 1090576080 /nfs/dbraw/zinc/57/60/80/1090576080.db2.gz WAVUBQZFTFIFFA-UHFFFAOYSA-N 0 0 323.175 3.326 20 10 DGCDRN Cc1c(Br)cccc1-c1noc(-c2csnn2)n1 ZINC001212362739 1090576300 /nfs/dbraw/zinc/57/63/00/1090576300.db2.gz YTMZYYDVJYCJIZ-UHFFFAOYSA-N 0 0 323.175 3.326 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C/c1c(F)cccc1F ZINC000208204608 1090622823 /nfs/dbraw/zinc/62/28/23/1090622823.db2.gz JESXHEHEAGTNMU-UKTHLTGXSA-N 0 0 308.353 3.421 20 10 DGCDRN COc1ccc(Cl)cc1-c1noc(-c2nnsc2C)n1 ZINC001212404960 1090626494 /nfs/dbraw/zinc/62/64/94/1090626494.db2.gz CLABWODXMKRREW-UHFFFAOYSA-N 0 0 308.750 3.226 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2cc(F)ccn2)C1 ZINC001166818379 1090661627 /nfs/dbraw/zinc/66/16/27/1090661627.db2.gz FTBSRTJZDPALBR-UHFFFAOYSA-N 0 0 311.360 3.284 20 10 DGCDRN COc1cc(OC)cc(N(C)C(=O)/C(C)=C\c2cccnc2)c1 ZINC001128115365 1090669874 /nfs/dbraw/zinc/66/98/74/1090669874.db2.gz BLPQDTDNYFLPDC-JYRVWZFOSA-N 0 0 312.369 3.165 20 10 DGCDRN NC(=O)c1ccc(Nc2ccccc2Cc2ccc(N)cc2)cn1 ZINC001203441105 1090736675 /nfs/dbraw/zinc/73/66/75/1090736675.db2.gz QCTXUDMNYKFTSO-UHFFFAOYSA-N 0 0 318.380 3.097 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCCC[C@](O)(CF)C1 ZINC001203574475 1090759685 /nfs/dbraw/zinc/75/96/85/1090759685.db2.gz XYBSOLKDTWAUTH-AWEZNQCLSA-N 0 0 322.207 3.386 20 10 DGCDRN CC(C)(C)OC(=O)NCc1cncc(Nc2ccc(N)cc2)c1 ZINC001203604076 1090765359 /nfs/dbraw/zinc/76/53/59/1090765359.db2.gz STPCQBVKGWGHCJ-UHFFFAOYSA-N 0 0 314.389 3.432 20 10 DGCDRN COc1nsc(C[NH2+]Cc2cccc(Cl)c2[O-])c1Cl ZINC001204002664 1090866003 /nfs/dbraw/zinc/86/60/03/1090866003.db2.gz RYDXUROWBRUJAP-UHFFFAOYSA-N 0 0 319.213 3.454 20 10 DGCDRN COc1ccc(CNCC(F)(F)C2(O)CCCCC2)cc1C ZINC001204012469 1090866542 /nfs/dbraw/zinc/86/65/42/1090866542.db2.gz UWZJPUJKMNPGPW-UHFFFAOYSA-N 0 0 313.388 3.424 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1c(F)cccc1F)CCC2 ZINC001204206081 1090922223 /nfs/dbraw/zinc/92/22/23/1090922223.db2.gz OSRCIUSVDQWPAB-UHFFFAOYSA-N 0 0 305.324 3.324 20 10 DGCDRN CN(C)c1ccc(CN2CC(O)(C(F)(F)F)C2)c2ccccc21 ZINC001204233359 1090930108 /nfs/dbraw/zinc/93/01/08/1090930108.db2.gz QLLWOULVQOGIHO-UHFFFAOYSA-N 0 0 324.346 3.015 20 10 DGCDRN COc1cc(Br)cc(CN2CC3(CCC3)C2)c1O ZINC001204337069 1090952220 /nfs/dbraw/zinc/95/22/20/1090952220.db2.gz AUOOZRUQYCQZIG-UHFFFAOYSA-N 0 0 312.207 3.149 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1scnc1Cl)CCC2 ZINC001137824871 1090955217 /nfs/dbraw/zinc/95/52/17/1090955217.db2.gz MDZRDBHTDHCISO-UHFFFAOYSA-N 0 0 310.806 3.156 20 10 DGCDRN CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2c([O-])cccc2F)C1 ZINC001137831552 1091092133 /nfs/dbraw/zinc/09/21/33/1091092133.db2.gz DPLNRPLVBVLIED-LBPRGKRZSA-N 0 0 324.396 3.020 20 10 DGCDRN CN(Cc1ccc(F)c(Cl)c1)C(=O)Cc1ccc(O)c(O)c1 ZINC001138230567 1091121497 /nfs/dbraw/zinc/12/14/97/1091121497.db2.gz XVJZRVBTBPFQCA-UHFFFAOYSA-N 0 0 323.751 3.091 20 10 DGCDRN COc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)cc1C ZINC001292207275 1091137216 /nfs/dbraw/zinc/13/72/16/1091137216.db2.gz RVNOMOSEIHRWGJ-UHFFFAOYSA-N 0 0 324.424 3.316 20 10 DGCDRN Cc1[nH]c2ccc(CNC(=O)Cc3ccc(O)c(O)c3)cc2c1C ZINC001292231048 1091138586 /nfs/dbraw/zinc/13/85/86/1091138586.db2.gz IIPBZUZJXFSZFV-UHFFFAOYSA-N 0 0 324.380 3.055 20 10 DGCDRN Oc1c(CN2CC(F)(C3CC3)C2)cc2c3c1CCCN3CCC2 ZINC001138338144 1091146963 /nfs/dbraw/zinc/14/69/63/1091146963.db2.gz KVZKFRMYHOMAAE-UHFFFAOYSA-N 0 0 316.420 3.025 20 10 DGCDRN CN1CCCc2cc(CN3CCC[C@H]3c3ncccn3)ccc21 ZINC001138359509 1091151680 /nfs/dbraw/zinc/15/16/80/1091151680.db2.gz CKEBYYPTSTUMJI-SFHVURJKSA-N 0 0 308.429 3.196 20 10 DGCDRN CC(=O)CC1(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC001138364686 1091154261 /nfs/dbraw/zinc/15/42/61/1091154261.db2.gz YMTKQSZXTYILFB-CQSZACIVSA-N 0 0 302.418 3.079 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CCCO[C@H](C)C2)c(OC)c1 ZINC001138386192 1091161232 /nfs/dbraw/zinc/16/12/32/1091161232.db2.gz IXTHRXVJYXQKBU-OAHLLOKOSA-N 0 0 306.450 3.152 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2ccc3c(c2)CCCO3)cc1 ZINC001292581414 1091167657 /nfs/dbraw/zinc/16/76/57/1091167657.db2.gz MESWIKUDSFCVAX-UHFFFAOYSA-N 0 0 324.340 3.426 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC001205492553 1091235251 /nfs/dbraw/zinc/23/52/51/1091235251.db2.gz LIOIEEHTMMJTFE-GOSISDBHSA-N 0 0 317.335 3.302 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCC[C@H](O)C(C)C ZINC001293599339 1091262361 /nfs/dbraw/zinc/26/23/61/1091262361.db2.gz DUOBLGDNKAWXOD-HNNXBMFYSA-N 0 0 320.458 3.292 20 10 DGCDRN Cc1c(C)n(Cc2ccco2)c2ncnc(-c3cnc(C)nc3)c12 ZINC001205840673 1091375897 /nfs/dbraw/zinc/37/58/97/1091375897.db2.gz RJDALTPARSYKRK-UHFFFAOYSA-N 0 0 319.368 3.455 20 10 DGCDRN CCC[C@H](O)CNC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001294691852 1091430074 /nfs/dbraw/zinc/43/00/74/1091430074.db2.gz JDEAJHRSSGASHE-INIZCTEOSA-N 0 0 314.429 3.293 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC001139126807 1091456318 /nfs/dbraw/zinc/45/63/18/1091456318.db2.gz QQAIKRUCVDONNY-LLVKDONJSA-N 0 0 323.339 3.284 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CC[C@@](C)(F)[C@H](F)C1 ZINC001139126576 1091456466 /nfs/dbraw/zinc/45/64/66/1091456466.db2.gz LGUQNNQHFJTSOQ-RHSMWYFYSA-N 0 0 323.339 3.079 20 10 DGCDRN CC[N@H+](Cc1cccnc1)Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139128827 1091459381 /nfs/dbraw/zinc/45/93/81/1091459381.db2.gz FUIGPVIMOZAOGB-UHFFFAOYSA-N 0 0 324.380 3.224 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1[nH]ccc1-c1ccccc1 ZINC001294872080 1091463498 /nfs/dbraw/zinc/46/34/98/1091463498.db2.gz UQXKZUDQYZOZGO-UHFFFAOYSA-N 0 0 308.337 3.023 20 10 DGCDRN O=C(NCc1ccccc1O)c1c[nH]cc1Cc1ccccc1 ZINC001294925560 1091472364 /nfs/dbraw/zinc/47/23/64/1091472364.db2.gz OOZVJRDCQWMCMN-UHFFFAOYSA-N 0 0 306.365 3.241 20 10 DGCDRN COc1ccncc1CN(C)Cc1ccc(N2CCCC2)cc1 ZINC001139608465 1091618864 /nfs/dbraw/zinc/61/88/64/1091618864.db2.gz CVVOUCGKYXBVCZ-UHFFFAOYSA-N 0 0 311.429 3.322 20 10 DGCDRN O=c1[nH]cccc1Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001206456260 1091637756 /nfs/dbraw/zinc/63/77/56/1091637756.db2.gz DBHFJTHZEKQDQI-UHFFFAOYSA-N 0 0 316.316 3.306 20 10 DGCDRN CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1c(F)ccc(F)c1[O-])C2 ZINC001139681785 1091641684 /nfs/dbraw/zinc/64/16/84/1091641684.db2.gz XTBPIBKXZKZOQG-PXAZEXFGSA-N 0 0 311.372 3.309 20 10 DGCDRN CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1c(F)ccc(F)c1[O-] ZINC001139690702 1091643366 /nfs/dbraw/zinc/64/33/66/1091643366.db2.gz ZTNVIVWKNDOUOA-UHFFFAOYSA-N 0 0 321.323 3.421 20 10 DGCDRN Cc1cccc(O[C@@H]2CC[N@H+](Cc3c(F)ccc(F)c3[O-])C2)n1 ZINC001139689604 1091643492 /nfs/dbraw/zinc/64/34/92/1091643492.db2.gz IFOPSXSERRORBU-GFCCVEGCSA-N 0 0 320.339 3.027 20 10 DGCDRN Oc1ccc(O)c(CNc2ncnc3sc4c(c32)CCC4)c1 ZINC001307200488 1091656594 /nfs/dbraw/zinc/65/65/94/1091656594.db2.gz AWMBZAPJGSVWPI-UHFFFAOYSA-N 0 0 313.382 3.203 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2cccc3c2CCO3)cc1 ZINC001139851470 1091692911 /nfs/dbraw/zinc/69/29/11/1091692911.db2.gz UJLXNBOUXRPSJP-UHFFFAOYSA-N 0 0 310.313 3.036 20 10 DGCDRN CC(F)(F)c1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001296515996 1091754649 /nfs/dbraw/zinc/75/46/49/1091754649.db2.gz SBIMFZKADQCCFJ-UHFFFAOYSA-N 0 0 307.296 3.391 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CC[C@]1(O)C(F)(F)F ZINC001140337939 1091833015 /nfs/dbraw/zinc/83/30/15/1091833015.db2.gz OAIXTUYEJJHUQS-NOZJJQNGSA-N 0 0 323.742 3.181 20 10 DGCDRN COc1ccc(N2CCN(Cc3cnc(C)s3)CC2)c(C)c1 ZINC001207062422 1091834497 /nfs/dbraw/zinc/83/44/97/1091834497.db2.gz AQKICGMIZZURLN-UHFFFAOYSA-N 0 0 317.458 3.091 20 10 DGCDRN Oc1cccc(Cl)c1CN(Cc1cocn1)Cc1cocn1 ZINC001140341773 1091835037 /nfs/dbraw/zinc/83/50/37/1091835037.db2.gz HFIOFYWCUYKXDK-UHFFFAOYSA-N 0 0 319.748 3.224 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)C1(Cc2ccccc2)CCC1 ZINC000828912050 1091851265 /nfs/dbraw/zinc/85/12/65/1091851265.db2.gz IEPPAGFLIIVOAQ-UHFFFAOYSA-N 0 0 311.381 3.127 20 10 DGCDRN Oc1cc(Cl)ccc1CN1CC[C@@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001140468368 1091879436 /nfs/dbraw/zinc/87/94/36/1091879436.db2.gz IJFMEMAMYCLAPR-LSDHHAIUSA-N 0 0 312.816 3.054 20 10 DGCDRN [O-]c1cc(F)cc(F)c1C[NH+]1CCC2(CC(F)(F)CO2)CC1 ZINC001140583119 1091919728 /nfs/dbraw/zinc/91/97/28/1091919728.db2.gz WNZGEJJOXYCKDK-UHFFFAOYSA-N 0 0 319.298 3.061 20 10 DGCDRN C[C@@H](NC(=O)Nc1cnc2ccccn12)c1ccc(N(C)C)cc1 ZINC001207486357 1091985048 /nfs/dbraw/zinc/98/50/48/1091985048.db2.gz QNSQXDPKAQLCIV-CYBMUJFWSA-N 0 0 323.400 3.283 20 10 DGCDRN Oc1ccc(Cl)c(F)c1CNc1ccccc1-n1nccn1 ZINC001207579267 1092027619 /nfs/dbraw/zinc/02/76/19/1092027619.db2.gz AHAYLJWZRHKAHC-UHFFFAOYSA-N 0 0 318.739 3.378 20 10 DGCDRN Cc1ccc(C[N@@H+](CCNC(=O)OC(C)(C)C)C(C)C)c(O)c1 ZINC001140950900 1092077454 /nfs/dbraw/zinc/07/74/54/1092077454.db2.gz OJHNRFXDEFVSIP-UHFFFAOYSA-N 0 0 322.449 3.436 20 10 DGCDRN Cc1ccc(CN2CC[C@@H](N3CCCCC3)C(F)(F)C2)c(O)c1 ZINC001140953819 1092080393 /nfs/dbraw/zinc/08/03/93/1092080393.db2.gz HDDMBMLUJBWNOL-QGZVFWFLSA-N 0 0 324.415 3.396 20 10 DGCDRN COc1cc(O)c(C[N@@H+]2CCc3cc(C)ccc3C2)c(OC)c1 ZINC001141032408 1092112101 /nfs/dbraw/zinc/11/21/01/1092112101.db2.gz AYQWRHSTSGRYHD-UHFFFAOYSA-N 0 0 313.397 3.276 20 10 DGCDRN COc1cc(O)c(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c(OC)c1 ZINC001141030881 1092113147 /nfs/dbraw/zinc/11/31/47/1092113147.db2.gz OZHWJYLHFCLDCQ-ZIAGYGMSSA-N 0 0 305.418 3.422 20 10 DGCDRN COc1cc(O)c(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c(OC)c1 ZINC001141031876 1092113407 /nfs/dbraw/zinc/11/34/07/1092113407.db2.gz NAVUFPBPEQCHKK-OAHLLOKOSA-N 0 0 313.397 3.399 20 10 DGCDRN CN(Cc1cc(O)ccc1O)Cc1ncccc1C(F)(F)F ZINC001141156023 1092155548 /nfs/dbraw/zinc/15/55/48/1092155548.db2.gz CYKZYGHTHBPXOI-UHFFFAOYSA-N 0 0 312.291 3.144 20 10 DGCDRN CCc1cc(Cl)cnc1NC(=O)NCc1ccccc1O ZINC001208040395 1092182632 /nfs/dbraw/zinc/18/26/32/1092182632.db2.gz VNJGYTHVSMROOB-UHFFFAOYSA-N 0 0 305.765 3.325 20 10 DGCDRN Cc1cc(C(=O)N(C2CC2)C2COC2)c(C)n1-c1cccc(C)c1 ZINC001141369878 1092221339 /nfs/dbraw/zinc/22/13/39/1092221339.db2.gz RJOBMYZSSIUKLZ-UHFFFAOYSA-N 0 0 324.424 3.406 20 10 DGCDRN CCn1cccc1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001142418563 1092478924 /nfs/dbraw/zinc/47/89/24/1092478924.db2.gz GMEJCEOFOSZILV-OAHLLOKOSA-N 0 0 313.445 3.243 20 10 DGCDRN COc1ccccc1CC[N@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001142524983 1092493443 /nfs/dbraw/zinc/49/34/43/1092493443.db2.gz RQHPEXGXAPCYET-UHFFFAOYSA-N 0 0 307.340 3.354 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001142524950 1092494788 /nfs/dbraw/zinc/49/47/88/1092494788.db2.gz QVNLAXFJIGMVOT-CQSZACIVSA-N 0 0 320.339 3.109 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)c1ccc(CF)cc1 ZINC001142730632 1092538913 /nfs/dbraw/zinc/53/89/13/1092538913.db2.gz BOQJTXDQTDUVLC-UHFFFAOYSA-N 0 0 310.328 3.340 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H]2CCc3ccc(Cl)cc32)c(O)c1O ZINC001169292026 1092632266 /nfs/dbraw/zinc/63/22/66/1092632266.db2.gz KXBJHAXATAEMHM-CQSZACIVSA-N 0 0 317.772 3.477 20 10 DGCDRN COC(C)(C)C(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001143330929 1092656774 /nfs/dbraw/zinc/65/67/74/1092656774.db2.gz JNUVAALZHRVKLL-HNNXBMFYSA-N 0 0 305.418 3.174 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2nccc3ccccc32)c(O)c1 ZINC001149157991 1092665752 /nfs/dbraw/zinc/66/57/52/1092665752.db2.gz LOGHLDWUYPCOPZ-UHFFFAOYSA-N 0 0 306.365 3.487 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Cc1cccc2cnccc21 ZINC001149872336 1092739193 /nfs/dbraw/zinc/73/91/93/1092739193.db2.gz ZUIBOVVLZXBNSD-UHFFFAOYSA-N 0 0 306.365 3.142 20 10 DGCDRN O=C(c1cncc2ccccc21)N1CCc2cccc(O)c2C1 ZINC001150920420 1092841347 /nfs/dbraw/zinc/84/13/47/1092841347.db2.gz GXEUEEARXZLXNP-UHFFFAOYSA-N 0 0 304.349 3.139 20 10 DGCDRN Cc1cccn2cc(CN(C)Cc3ccc(N(C)C)cc3)nc12 ZINC001209741441 1092899999 /nfs/dbraw/zinc/89/99/99/1092899999.db2.gz SSEIUWOQLRGJFR-UHFFFAOYSA-N 0 0 308.429 3.341 20 10 DGCDRN COc1ccc2c(c1Nc1ccc3c(c1)OCCN3)C(=O)CC2 ZINC001209788207 1092924129 /nfs/dbraw/zinc/92/41/29/1092924129.db2.gz IOCHFTSAXBOUPR-UHFFFAOYSA-N 0 0 310.353 3.372 20 10 DGCDRN O=c1ccn(-c2ccc(Nc3ccc4c(c3)OCCN4)cc2)[nH]1 ZINC001209792563 1092924747 /nfs/dbraw/zinc/92/47/47/1092924747.db2.gz QQDBQZWHKLZPOG-UHFFFAOYSA-N 0 0 308.341 3.126 20 10 DGCDRN C[C@H]1Cc2cc(Nc3ccc4c(c3)OCCN4)ccc2N(C)C1=O ZINC001209792879 1092925417 /nfs/dbraw/zinc/92/54/17/1092925417.db2.gz XJYIQKJWVWQTJX-LBPRGKRZSA-N 0 0 323.396 3.390 20 10 DGCDRN Cc1oncc1Nc1c(N)ccc2c1C(=O)c1ccccc1C2=O ZINC001210583558 1093218256 /nfs/dbraw/zinc/21/82/56/1093218256.db2.gz QILDFIJPLBHBDP-UHFFFAOYSA-N 0 0 319.320 3.084 20 10 DGCDRN Nc1ccc2c(c1Nc1nccs1)C(=O)c1ccccc1C2=O ZINC001210997873 1093349182 /nfs/dbraw/zinc/34/91/82/1093349182.db2.gz WWKDPVKPKQRGLC-UHFFFAOYSA-N 0 0 321.361 3.244 20 10 DGCDRN Nc1ccc(N(CCO)c2cncc(-c3ccccc3)c2)cc1 ZINC001211023397 1093355862 /nfs/dbraw/zinc/35/58/62/1093355862.db2.gz HFDPWTXKBJLHQM-UHFFFAOYSA-N 0 0 305.381 3.461 20 10 DGCDRN Nc1ccc(Cc2ccccc2Nc2cncc(CO)c2)cc1 ZINC001211107299 1093381925 /nfs/dbraw/zinc/38/19/25/1093381925.db2.gz QRJONDVEEVVCDI-UHFFFAOYSA-N 0 0 305.381 3.491 20 10 DGCDRN Cc1ccc(OC(C)C)c(N(CCO)c2ccc(N)cc2)c1 ZINC001211280670 1093442103 /nfs/dbraw/zinc/44/21/03/1093442103.db2.gz JXIANSYBXNQIHO-UHFFFAOYSA-N 0 0 300.402 3.495 20 10 DGCDRN Cc1c(NC(=O)N2Cc3cccc(O)c3C2)cccc1[N+](=O)[O-] ZINC001214500319 1093786978 /nfs/dbraw/zinc/78/69/78/1093786978.db2.gz FAGPTINQUWXDEP-UHFFFAOYSA-N 0 0 313.313 3.157 20 10 DGCDRN CC(=O)Nc1ccc(NC(=O)N[C@H](C)c2ccccc2O)cc1 ZINC001214569453 1093802197 /nfs/dbraw/zinc/80/21/97/1093802197.db2.gz FQXURKWZSAIESX-LLVKDONJSA-N 0 0 313.357 3.233 20 10 DGCDRN COc1ccc(NC(=O)NCc2cc(C)ccc2O)cc1F ZINC001214698650 1093834645 /nfs/dbraw/zinc/83/46/45/1093834645.db2.gz QORYYLDSAUMFTG-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN Oc1cccc(-c2nc(-c3cccc(-n4cccn4)c3)no2)c1O ZINC001215145870 1093927086 /nfs/dbraw/zinc/92/70/86/1093927086.db2.gz NZVAMCKPRHEHNA-UHFFFAOYSA-N 0 0 320.308 3.001 20 10 DGCDRN Oc1ccc(-c2nc(-c3ccc(OC4CC4)cc3)no2)cc1O ZINC001215304617 1093955902 /nfs/dbraw/zinc/95/59/02/1093955902.db2.gz VXBZIJCVZNFINQ-UHFFFAOYSA-N 0 0 310.309 3.356 20 10 DGCDRN Oc1ccc(-c2nc(-c3cc(F)c(F)cc3F)no2)cc1O ZINC001215304574 1093956172 /nfs/dbraw/zinc/95/61/72/1093956172.db2.gz SHOAKKRHIIYVKJ-UHFFFAOYSA-N 0 0 308.215 3.232 20 10 DGCDRN Oc1ccc(-c2nc(-c3cccc4ccoc43)no2)c(O)c1O ZINC001215325365 1093960433 /nfs/dbraw/zinc/96/04/33/1093960433.db2.gz OPHUDIZGTQKRNN-UHFFFAOYSA-N 0 0 310.265 3.267 20 10 DGCDRN CCc1cc(-c2noc(-c3ccc(O)c(O)c3O)n2)ccc1F ZINC001215325363 1093960714 /nfs/dbraw/zinc/96/07/14/1093960714.db2.gz ONXUKFHCTYBEQU-UHFFFAOYSA-N 0 0 316.288 3.222 20 10 DGCDRN Cc1cc(F)cc(-c2noc(-c3ccc(O)c(O)c3O)n2)c1F ZINC001215325262 1093960938 /nfs/dbraw/zinc/96/09/38/1093960938.db2.gz JBONNIXHMPKOFL-UHFFFAOYSA-N 0 0 320.251 3.107 20 10 DGCDRN Cc1cc(F)cc(-c2noc(-c3cc(O)c(O)c(O)c3)n2)c1F ZINC001215327661 1093961756 /nfs/dbraw/zinc/96/17/56/1093961756.db2.gz MYZFFWWWIAOVLE-UHFFFAOYSA-N 0 0 320.251 3.107 20 10 DGCDRN Cc1ccc(NC(=O)NCc2cc(Cl)ccc2O)c(C)n1 ZINC001215691270 1094033166 /nfs/dbraw/zinc/03/31/66/1094033166.db2.gz HPAAPOHWDHZNGB-UHFFFAOYSA-N 0 0 305.765 3.379 20 10 DGCDRN COc1ccc(F)c(NC(=O)NCc2cc(C)ccc2O)c1 ZINC001215757840 1094050338 /nfs/dbraw/zinc/05/03/38/1094050338.db2.gz VEDQRILCRNYKPY-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN COCn1cc(Nc2ccccc2C(=O)c2ccccc2)cn1 ZINC001216575244 1094222738 /nfs/dbraw/zinc/22/27/38/1094222738.db2.gz QRLPWBRBTKPIAM-UHFFFAOYSA-N 0 0 307.353 3.462 20 10 DGCDRN COCn1cc(Nc2ccc(Cc3ccc(N)cc3)cc2)cn1 ZINC001216577599 1094223525 /nfs/dbraw/zinc/22/35/25/1094223525.db2.gz GRWYQMNUXXRIEC-UHFFFAOYSA-N 0 0 308.385 3.404 20 10 DGCDRN CN(C)c1cc(F)c(CN[C@@H](C2CC2)C(F)(F)F)cc1F ZINC001329729715 1094240374 /nfs/dbraw/zinc/24/03/74/1094240374.db2.gz AHJVSYPUOJYVRL-ZDUSSCGKSA-N 0 0 308.294 3.461 20 10 DGCDRN Cc1cc(C[NH2+]Cc2cccc(Br)c2[O-])sn1 ZINC000404397362 1094256438 /nfs/dbraw/zinc/25/64/38/1094256438.db2.gz SWXJPTHJPXFURL-UHFFFAOYSA-N 0 0 313.220 3.209 20 10 DGCDRN Cc1cc(-c2noc(-c3ccc(O)c(O)c3Cl)n2)ccn1 ZINC001216951927 1094283351 /nfs/dbraw/zinc/28/33/51/1094283351.db2.gz PXIJHOQOTFYNFI-UHFFFAOYSA-N 0 0 303.705 3.172 20 10 DGCDRN Cc1cccc(C(C)(C)CNC(=O)NCc2ccc(N)cc2)c1 ZINC001120496141 1094443346 /nfs/dbraw/zinc/44/33/46/1094443346.db2.gz XFDKBWSWXYIFRC-UHFFFAOYSA-N 0 0 311.429 3.354 20 10 DGCDRN Cc1nc(C)c([C@H](C)N(C)C(=O)NCc2ccc(N)cc2)s1 ZINC001120681054 1094489001 /nfs/dbraw/zinc/48/90/01/1094489001.db2.gz DKMVKDZTUQIZJG-NSHDSACASA-N 0 0 318.446 3.245 20 10 DGCDRN CCO[C@H]1C[C@H](NC(=O)N[C@H](C)c2ccccc2O)C12CCC2 ZINC001336448343 1094651590 /nfs/dbraw/zinc/65/15/90/1094651590.db2.gz ARIMIEZGUOLXTC-KCXAZCMYSA-N 0 0 318.417 3.100 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001135797915 1094682819 /nfs/dbraw/zinc/68/28/19/1094682819.db2.gz WINPHICLVGYMON-RRFJBIMHSA-N 0 0 303.402 3.115 20 10 DGCDRN CSC1(CNC(=O)NCc2ccc(N)cc2)CCCCC1 ZINC001336949664 1094791123 /nfs/dbraw/zinc/79/11/23/1094791123.db2.gz CGRMRULRUUBALI-UHFFFAOYSA-N 0 0 307.463 3.134 20 10 DGCDRN Nc1ccc(CC(=O)Nc2cc(F)c(Cl)nc2Cl)cc1 ZINC001218594492 1094839704 /nfs/dbraw/zinc/83/97/04/1094839704.db2.gz JXVLHWNZOCHXGH-UHFFFAOYSA-N 0 0 314.147 3.291 20 10 DGCDRN CC1(C)Nc2ccccc2[C@H]1NC(=O)NCc1ccc(N)cc1 ZINC001337070065 1094842918 /nfs/dbraw/zinc/84/29/18/1094842918.db2.gz HKKQZDDBNQDGHZ-MRXNPFEDSA-N 0 0 310.401 3.013 20 10 DGCDRN Cc1nc(CN2CCOc3cc(N(C)C)ccc32)c(C)s1 ZINC001337207316 1094898022 /nfs/dbraw/zinc/89/80/22/1094898022.db2.gz ZNTCPMHYVHDVSM-UHFFFAOYSA-N 0 0 303.431 3.225 20 10 DGCDRN Oc1cc(Br)ccc1CN[C@@H]1CCCC1(F)F ZINC000691425761 1094941604 /nfs/dbraw/zinc/94/16/04/1094941604.db2.gz DZNFAUOLVJHJCT-LLVKDONJSA-N 0 0 306.150 3.432 20 10 DGCDRN C[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@@H]2CCCC[C@@H]12 ZINC001136200044 1094943257 /nfs/dbraw/zinc/94/32/57/1094943257.db2.gz OYTOETMEQXMUFH-VHDGCEQUSA-N 0 0 303.402 3.068 20 10 DGCDRN CC[C@H]1CCc2nc(NC(=O)c3cccc(O)c3O)sc2C1 ZINC001136323611 1094988460 /nfs/dbraw/zinc/98/84/60/1094988460.db2.gz HYTWAAPVLWRESS-VIFPVBQESA-N 0 0 318.398 3.322 20 10 DGCDRN Cc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c2n[nH]cc21 ZINC001136447693 1095042662 /nfs/dbraw/zinc/04/26/62/1095042662.db2.gz FXULHFXXKDJZQH-UHFFFAOYSA-N 0 0 322.328 3.286 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2cc(C)nc(Cl)c2)c1 ZINC001220182390 1095063672 /nfs/dbraw/zinc/06/36/72/1095063672.db2.gz YGZQXCAKUQAZNZ-UHFFFAOYSA-N 0 0 305.765 3.379 20 10 DGCDRN Cc1ccccc1C(C)(C)CNC(=O)Cc1ccc(O)c(O)c1 ZINC001136545081 1095067858 /nfs/dbraw/zinc/06/78/58/1095067858.db2.gz PBRDTLIAAGZEPV-UHFFFAOYSA-N 0 0 313.397 3.043 20 10 DGCDRN Cc1cc(C)c(CNC(=O)[C@H]2CCNc3ccccc32)c(O)c1 ZINC001220825561 1095160285 /nfs/dbraw/zinc/16/02/85/1095160285.db2.gz MNDCQSRNXDZRKY-HNNXBMFYSA-N 0 0 310.397 3.225 20 10 DGCDRN Cc1cc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc(C)n1 ZINC001338319703 1095263160 /nfs/dbraw/zinc/26/31/60/1095263160.db2.gz KTPKOPVMUFPTCQ-AWEZNQCLSA-N 0 0 312.417 3.069 20 10 DGCDRN CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cnc(OC)c(C)c1 ZINC001137009338 1095283703 /nfs/dbraw/zinc/28/37/03/1095283703.db2.gz BRTLWZGOFDIYAL-UHFFFAOYSA-N 0 0 313.445 3.487 20 10 DGCDRN Nc1ccc(CNC(=O)NCC2(Cc3ccccc3)CC2)cc1 ZINC001338587908 1095340621 /nfs/dbraw/zinc/34/06/21/1095340621.db2.gz DWUHTNMTZGNGCT-UHFFFAOYSA-N 0 0 309.413 3.091 20 10 DGCDRN CCCCCC[NH+]1CCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139684246 1095350721 /nfs/dbraw/zinc/35/07/21/1095350721.db2.gz SCNBEPAMOKDPAX-UHFFFAOYSA-N 0 0 312.404 3.368 20 10 DGCDRN CCc1ncoc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001338687362 1095363715 /nfs/dbraw/zinc/36/37/15/1095363715.db2.gz MJOQEXCEFUUEOH-UHFFFAOYSA-N 0 0 313.401 3.108 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)N3CC(F)(F)C3)cc2)CC1 ZINC001221837530 1095373006 /nfs/dbraw/zinc/37/30/06/1095373006.db2.gz UFYDDPRNNPYXJK-UHFFFAOYSA-N 0 0 323.387 3.083 20 10 DGCDRN Cn1c(C2SC=CC2=O)nnc1N1CC[C@H]2CCCC[C@H]2C1 ZINC001338750255 1095380096 /nfs/dbraw/zinc/38/00/96/1095380096.db2.gz LOIKOGKSGROCIL-NEPJUHHUSA-N 0 0 318.446 3.266 20 10 DGCDRN Cn1c(C2SC=CC2=O)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001338750737 1095380181 /nfs/dbraw/zinc/38/01/81/1095380181.db2.gz NXEJUKWYDZYWGJ-GHMZBOCLSA-N 0 0 304.419 3.018 20 10 DGCDRN O=C(/C=C/c1nccs1)NCc1c(O)ccc2c1CCCC2 ZINC001123734369 1095415038 /nfs/dbraw/zinc/41/50/38/1095415038.db2.gz BAGKMBJAMKKHIZ-BQYQJAHWSA-N 0 0 314.410 3.057 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)C12CCC(CC1)CC2 ZINC001338998307 1095461929 /nfs/dbraw/zinc/46/19/29/1095461929.db2.gz OKLMFGBSFVEULN-UHFFFAOYSA-N 0 0 308.418 3.465 20 10 DGCDRN C/C=C/C=C/C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001144000983 1095471637 /nfs/dbraw/zinc/47/16/37/1095471637.db2.gz ICGFWAXKFHZGIX-AOGGBPEJSA-N 0 0 302.761 3.342 20 10 DGCDRN CCOc1ccc(N2CCN(Cc3nc(C)c(C)o3)CC2)cc1 ZINC001116348375 1095523638 /nfs/dbraw/zinc/52/36/38/1095523638.db2.gz VWXBUUUWYGCDPB-UHFFFAOYSA-N 0 0 315.417 3.012 20 10 DGCDRN CN(Cc1ccccc1O)c1nnc([C@@H]2C[C@H]2C(C)(C)C)n1C ZINC001339571736 1095661001 /nfs/dbraw/zinc/66/10/01/1095661001.db2.gz PKORYGTUOCNCSF-ZIAGYGMSSA-N 0 0 314.433 3.307 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cc(F)ncc2C)cc1 ZINC001125167263 1095663945 /nfs/dbraw/zinc/66/39/45/1095663945.db2.gz VIIPXPDOTIFQKA-UHFFFAOYSA-N 0 0 315.392 3.305 20 10 DGCDRN Cc1cccc(OCC(=O)Nc2c3nonc3ccc2Cl)c1 ZINC001116850403 1095680062 /nfs/dbraw/zinc/68/00/62/1095680062.db2.gz MLFCPLMLAUBARS-UHFFFAOYSA-N 0 0 317.732 3.202 20 10 DGCDRN COc1ccc(C[NH2+]Cc2ccc(N3CCCC3)cc2)c(O)c1 ZINC001116865161 1095684516 /nfs/dbraw/zinc/68/45/16/1095684516.db2.gz IZDOBEPXVXDSQZ-UHFFFAOYSA-N 0 0 312.413 3.291 20 10 DGCDRN [O-]c1cccc(F)c1C[N@H+](Cc1cccnc1)C1CCOCC1 ZINC001137837833 1095758867 /nfs/dbraw/zinc/75/88/67/1095758867.db2.gz WITAEPMLOZSQFB-UHFFFAOYSA-N 0 0 316.376 3.108 20 10 DGCDRN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1c([O-])cccc1F ZINC001137841853 1095763439 /nfs/dbraw/zinc/76/34/39/1095763439.db2.gz XPBFOHCHQNFDTH-NEPJUHHUSA-N 0 0 324.396 3.019 20 10 DGCDRN COCC[NH+](CCOC)Cc1cc(C)n(-c2ccccc2)c1C ZINC001137854175 1095766238 /nfs/dbraw/zinc/76/62/38/1095766238.db2.gz LBCZNQKYEPZOHI-UHFFFAOYSA-N 0 0 316.445 3.189 20 10 DGCDRN Cc1nc(C(=O)Nc2c3nonc3ccc2Cl)sc1C ZINC001117507257 1095776008 /nfs/dbraw/zinc/77/60/08/1095776008.db2.gz FKYFIWVYYSZTAD-UHFFFAOYSA-N 0 0 308.750 3.202 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001340026810 1095821961 /nfs/dbraw/zinc/82/19/61/1095821961.db2.gz TZAKARUFRXSRPH-AOOOYVTPSA-N 0 0 324.475 3.062 20 10 DGCDRN Cc1cc(C)c(CNC(=O)[C@@H](O)c2cccc(Cl)c2)c(O)c1 ZINC001144835718 1095843478 /nfs/dbraw/zinc/84/34/78/1095843478.db2.gz UUNSDSVDZFDFFK-INIZCTEOSA-N 0 0 319.788 3.012 20 10 DGCDRN O=C(Nc1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccc(F)c1[O-] ZINC001138130630 1095901047 /nfs/dbraw/zinc/90/10/47/1095901047.db2.gz DPFJUCBQFDFXEF-INIZCTEOSA-N 0 0 314.360 3.134 20 10 DGCDRN CCOC(=O)c1cccc(NCc2c(C)cc(C)cc2O)n1 ZINC001160808062 1095966706 /nfs/dbraw/zinc/96/67/06/1095966706.db2.gz HXDAMGYUAJDEFQ-UHFFFAOYSA-N 0 0 300.358 3.193 20 10 DGCDRN Cc1cc(C)c(CNC(=O)CC2Cc3ccccc3C2)c(O)c1 ZINC001146808276 1096119007 /nfs/dbraw/zinc/11/90/07/1096119007.db2.gz FJGJLFMIRSYOBH-UHFFFAOYSA-N 0 0 309.409 3.430 20 10 DGCDRN O=C(NCc1cc(Cl)c2cccnc2c1O)c1ccco1 ZINC001147097456 1096169400 /nfs/dbraw/zinc/16/94/00/1096169400.db2.gz YENQNBAJUDXSCA-UHFFFAOYSA-N 0 0 302.717 3.117 20 10 DGCDRN Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@@H](CCO)C(F)(F)F ZINC001119376001 1096181323 /nfs/dbraw/zinc/18/13/23/1096181323.db2.gz KOKDQJGUHRCBOM-FOGDFJRCSA-N 0 0 303.324 3.152 20 10 DGCDRN Cc1cc(OC(F)F)ccc1NC(=O)c1cccc(O)c1O ZINC001148218660 1096328141 /nfs/dbraw/zinc/32/81/41/1096328141.db2.gz FOTYLWBJFCFGFZ-UHFFFAOYSA-N 0 0 309.268 3.260 20 10 DGCDRN Cc1ccc(C(=O)N2CCCc3cc(O)c(O)cc3C2)c(C)c1 ZINC001148247242 1096342163 /nfs/dbraw/zinc/34/21/63/1096342163.db2.gz GYHDFNKSIFEENX-UHFFFAOYSA-N 0 0 311.381 3.303 20 10 DGCDRN CC(C)Oc1ccc(C(=O)N2CCc3cccc(O)c3C2)cc1 ZINC001148394422 1096358383 /nfs/dbraw/zinc/35/83/83/1096358383.db2.gz JUBCRUMOEGWTOD-UHFFFAOYSA-N 0 0 311.381 3.378 20 10 DGCDRN O=C(Nc1cc2ccccc2s1)c1cc(O)c(O)c(O)c1 ZINC001148581106 1096407239 /nfs/dbraw/zinc/40/72/39/1096407239.db2.gz LEBCWZOUUSXBLJ-UHFFFAOYSA-N 0 0 301.323 3.270 20 10 DGCDRN COC(=O)Cc1ccc(NCc2cc3ccccc3cc2O)nc1 ZINC001171399079 1096659712 /nfs/dbraw/zinc/65/97/12/1096659712.db2.gz BAIPGRLGLKSSHB-UHFFFAOYSA-N 0 0 322.364 3.268 20 10 DGCDRN COC(=O)c1cnc(NCc2cc3ccccc3cc2O)c(C)n1 ZINC001171399508 1096659763 /nfs/dbraw/zinc/65/97/63/1096659763.db2.gz IKIPLYQVCDZKIX-UHFFFAOYSA-N 0 0 323.352 3.043 20 10 DGCDRN C[S@](=O)c1ccc(NCc2cc3ccccc3cc2O)nc1 ZINC001171407730 1096679508 /nfs/dbraw/zinc/67/95/08/1096679508.db2.gz VVYRXAQTSJRVAA-QFIPXVFZSA-N 0 0 312.394 3.290 20 10 DGCDRN CCCCCC[C@@H](CC)Oc1c(O)c(O)c(O)c(O)c1O ZINC001226469442 1096696962 /nfs/dbraw/zinc/69/69/62/1096696962.db2.gz UGFMGSSIYCPGDG-SECBINFHSA-N 0 0 300.351 3.342 20 10 DGCDRN O=C(NCc1c(O)cccc1F)NC[C@H]1CCc2ccccc21 ZINC001227679012 1096968231 /nfs/dbraw/zinc/96/82/31/1096968231.db2.gz LOSQMUWYRDYOFH-CYBMUJFWSA-N 0 0 314.360 3.061 20 10 DGCDRN COC(=O)[C@@H](Oc1ccc(N(C)C)cc1)c1cccc(F)c1 ZINC001227939534 1097017076 /nfs/dbraw/zinc/01/70/76/1097017076.db2.gz YIGSBBDSPFDFIT-INIZCTEOSA-N 0 0 303.333 3.185 20 10 DGCDRN CO[C@H](C)CCOc1cccc2c1C(=O)c1ccccc1C2=O ZINC001228073315 1097045032 /nfs/dbraw/zinc/04/50/32/1097045032.db2.gz IPKGAXGDUFWWNJ-GFCCVEGCSA-N 0 0 310.349 3.266 20 10 DGCDRN CC[C@H](COC)Oc1cccc2c1C(=O)c1ccccc1C2=O ZINC001228074972 1097045767 /nfs/dbraw/zinc/04/57/67/1097045767.db2.gz VDZYYMPDTOIVFC-GFCCVEGCSA-N 0 0 310.349 3.266 20 10 DGCDRN O=C1C=CC(=NNc2ccc([N+](=O)[O-])cc2)C=C1OC1COC1 ZINC001228570313 1097144056 /nfs/dbraw/zinc/14/40/56/1097144056.db2.gz DOWSIVPEQJIWKX-WUKNDPDISA-N 0 0 315.285 3.493 20 10 DGCDRN c1cnc(-c2noc(-c3nnsc3C3CC3)n2)c(C2CC2)c1 ZINC001212680724 1097230618 /nfs/dbraw/zinc/23/06/18/1097230618.db2.gz UIEKUZUZXLWCNO-UHFFFAOYSA-N 0 0 311.370 3.405 20 10 DGCDRN C[C@@H](O)CC(=O)OC1=CC(=O)C=CC1=NNc1ccccc1 ZINC001229813148 1097391329 /nfs/dbraw/zinc/39/13/29/1097391329.db2.gz GKTCRFLYLVKSIL-IEBXDZTQSA-N 0 0 300.314 3.484 20 10 DGCDRN CC[C@H](O)C(=O)OC1=CC(=O)C=CC1=NNc1ccccc1 ZINC001229816850 1097391833 /nfs/dbraw/zinc/39/18/33/1097391833.db2.gz VIDGYGYCYRMHIZ-YWMAMYRUSA-N 0 0 300.314 3.484 20 10 DGCDRN C[C@@H]1CC(CNC(=O)NCc2c(O)cccc2F)C[C@@H](C)C1 ZINC001230793592 1097588595 /nfs/dbraw/zinc/58/85/95/1097588595.db2.gz PNNIFFHBWZBGJZ-RYUDHWBXSA-N 0 0 308.397 3.403 20 10 DGCDRN Cc1ccc(N(C)S(=O)(=O)Cc2ccc(N)cc2)c(Cl)c1 ZINC001174044309 1097599373 /nfs/dbraw/zinc/59/93/73/1097599373.db2.gz GWNDUTJXWFYRCC-UHFFFAOYSA-N 0 0 324.833 3.197 20 10 DGCDRN Cc1nn(C)c(C)c1Nc1ccccc1C(=O)c1ccncc1 ZINC001174229622 1097650778 /nfs/dbraw/zinc/65/07/78/1097650778.db2.gz FTJRSDFEMPVUGR-UHFFFAOYSA-N 0 0 306.369 3.407 20 10 DGCDRN O=C(c1ccccn1)c1cc(Cl)ccc1Nc1cncnc1 ZINC001174387568 1097705365 /nfs/dbraw/zinc/70/53/65/1097705365.db2.gz HUWDJJKAPOOHTL-UHFFFAOYSA-N 0 0 310.744 3.500 20 10 DGCDRN Nc1ccc(OCCOc2ccc(Nc3cncnc3)cc2)cc1 ZINC001174387128 1097705561 /nfs/dbraw/zinc/70/55/61/1097705561.db2.gz JRJCXAHPAHMDJD-UHFFFAOYSA-N 0 0 322.368 3.260 20 10 DGCDRN Cc1c(Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cnn1C ZINC001174390370 1097706345 /nfs/dbraw/zinc/70/63/45/1097706345.db2.gz UOEGUNIVUVWYAC-UHFFFAOYSA-N 0 0 317.348 3.248 20 10 DGCDRN C[C@@H]1COCC[C@H]1Oc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001231265421 1097707918 /nfs/dbraw/zinc/70/79/18/1097707918.db2.gz DZMMPMBSCWCREP-KZULUSFZSA-N 0 0 322.360 3.266 20 10 DGCDRN C[C@@H](CON)Oc1cc(N(C)C)ccc1/N=N/c1ccccn1 ZINC001231330153 1097723140 /nfs/dbraw/zinc/72/31/40/1097723140.db2.gz XGQWDXDNCDKWGN-IVGVGDLQSA-N 0 0 315.377 3.221 20 10 DGCDRN Cc1n[nH]cc1Nc1ccc(C(=O)Oc2ccc(N)cc2)cc1 ZINC001174475689 1097739823 /nfs/dbraw/zinc/73/98/23/1097739823.db2.gz WWTLFFKOXBWPOD-UHFFFAOYSA-N 0 0 308.341 3.263 20 10 DGCDRN C[N@H+](CCc1ccccc1Cl)Cc1ccc(C(=O)[O-])cc1O ZINC001231452691 1097751864 /nfs/dbraw/zinc/75/18/64/1097751864.db2.gz RVHUMSBQTARVDZ-UHFFFAOYSA-N 0 0 319.788 3.418 20 10 DGCDRN O=C([O-])c1ccc(C[N@@H+]2CCc3cccc(Cl)c3C2)c(O)c1 ZINC001231454151 1097753082 /nfs/dbraw/zinc/75/30/82/1097753082.db2.gz OMUKHONQEZYTNQ-UHFFFAOYSA-N 0 0 317.772 3.302 20 10 DGCDRN COc1ccc(Br)c(CN2CCC[C@@H](F)C2)c1O ZINC001231553017 1097778829 /nfs/dbraw/zinc/77/88/29/1097778829.db2.gz OWHNKZAUUYSLSP-SECBINFHSA-N 0 0 318.186 3.097 20 10 DGCDRN Cc1nc([C@@H]2COCCN2Cc2cccc(C)c2O)cs1 ZINC001231592729 1097787592 /nfs/dbraw/zinc/78/75/92/1097787592.db2.gz PLPLNPDLSYIMQJ-HNNXBMFYSA-N 0 0 304.415 3.039 20 10 DGCDRN Cc1cc(C)c(CN2[C@@H](C(F)(F)F)CCC[C@H]2CO)c(O)c1 ZINC001231842574 1097861234 /nfs/dbraw/zinc/86/12/34/1097861234.db2.gz OOEMQFVAKCCYQF-SWLSCSKDSA-N 0 0 317.351 3.287 20 10 DGCDRN COc1cc(N(C)C)ccc1CN1CCCC(F)(F)[C@H](F)C1 ZINC001231847776 1097861706 /nfs/dbraw/zinc/86/17/06/1097861706.db2.gz CVKPSUZLSYTMLR-OAHLLOKOSA-N 0 0 316.367 3.330 20 10 DGCDRN COc1cc(N(C)C)ccc1CN1CC(F)(F)C[C@@]1(C)CF ZINC001231849783 1097864051 /nfs/dbraw/zinc/86/40/51/1097864051.db2.gz ZEXKAHJPVROKOF-HNNXBMFYSA-N 0 0 316.367 3.330 20 10 DGCDRN Cc1cc(O)c(CN2CC(Oc3cccnc3)C2)cc1Cl ZINC001231871102 1097871109 /nfs/dbraw/zinc/87/11/09/1097871109.db2.gz XZSQUKHQRZEBLO-UHFFFAOYSA-N 0 0 304.777 3.012 20 10 DGCDRN CCCNC(=O)[C@H]1CCCCN1Cc1cc(Cl)c(C)cc1O ZINC001231871155 1097871923 /nfs/dbraw/zinc/87/19/23/1097871923.db2.gz ZXDBZCUYVGWCET-OAHLLOKOSA-N 0 0 324.852 3.235 20 10 DGCDRN Cc1ccc(N2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)nc1 ZINC001231911715 1097889721 /nfs/dbraw/zinc/88/97/21/1097889721.db2.gz KLDBUAWZUAJPFQ-UHFFFAOYSA-N 0 0 317.820 3.071 20 10 DGCDRN CCOC(=O)C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001231910955 1097890145 /nfs/dbraw/zinc/89/01/45/1097890145.db2.gz WTVVPLPHWVSFDD-GFCCVEGCSA-N 0 0 311.809 3.211 20 10 DGCDRN Cc1cccc(O[C@@H]2CC[N@H+](Cc3cccc(Cl)c3[O-])C2)n1 ZINC001231913013 1097890400 /nfs/dbraw/zinc/89/04/00/1097890400.db2.gz CRIZYKDSISMLPL-CQSZACIVSA-N 0 0 318.804 3.402 20 10 DGCDRN CC(=O)N1CCCC[C@@]12CC[N@H+](Cc1cccc(Cl)c1[O-])C2 ZINC001231912091 1097891243 /nfs/dbraw/zinc/89/12/43/1097891243.db2.gz VUZXFVHSLKBVRM-KRWDZBQOSA-N 0 0 322.836 3.023 20 10 DGCDRN CCOc1cc(F)c(N(CCO)c2ccc(N)cc2)cc1F ZINC001175056156 1097930802 /nfs/dbraw/zinc/93/08/02/1097930802.db2.gz JDPMBTGEHOLKHV-UHFFFAOYSA-N 0 0 308.328 3.076 20 10 DGCDRN Oc1cc(O)c(CN2CCC[C@H](F)C(F)(F)C2)cc1Cl ZINC001232261211 1097985363 /nfs/dbraw/zinc/98/53/63/1097985363.db2.gz WZSKIOTUUOEIGJ-LBPRGKRZSA-N 0 0 309.715 3.320 20 10 DGCDRN COc1cc(O)c(CN2CCc3cnccc3C2)cc1Cl ZINC001232266068 1097986432 /nfs/dbraw/zinc/98/64/32/1097986432.db2.gz IGZXVLAIEZBYLS-UHFFFAOYSA-N 0 0 304.777 3.008 20 10 DGCDRN COC(=O)c1c(CN2CCC[C@@](C)(F)C2)c2ccccc2n1C ZINC001232401778 1098028540 /nfs/dbraw/zinc/02/85/40/1098028540.db2.gz DFUDJECQXFQZMX-GOSISDBHSA-N 0 0 318.392 3.289 20 10 DGCDRN CN(Cc1[nH]nc2c1CCC2)Cc1ccc(N2CCCC2)cc1 ZINC001232425675 1098035462 /nfs/dbraw/zinc/03/54/62/1098035462.db2.gz CQWGQBVEVNRWOB-UHFFFAOYSA-N 0 0 310.445 3.131 20 10 DGCDRN COc1ccc([C@H]2CCCN2Cc2cc(O)c(O)c(O)c2)cc1 ZINC001233013838 1098203536 /nfs/dbraw/zinc/20/35/36/1098203536.db2.gz VINPXFMMBMHNLN-OAHLLOKOSA-N 0 0 315.369 3.149 20 10 DGCDRN Cc1cc(Br)cc(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c1O ZINC001233110137 1098228467 /nfs/dbraw/zinc/22/84/67/1098228467.db2.gz VQFKNLWHFJENNQ-XYYAHUGASA-N 0 0 314.198 3.110 20 10 DGCDRN Cc1cc(Br)cc(CN2C[C@@H](F)C[C@H]2C)c1O ZINC001233105955 1098228611 /nfs/dbraw/zinc/22/86/11/1098228611.db2.gz FKMDBEAVRCXPRF-SKDRFNHKSA-N 0 0 302.187 3.395 20 10 DGCDRN O=C(C1CCN(Cc2c(O)ccc(F)c2F)CC1)C(F)(F)F ZINC001233334425 1098291651 /nfs/dbraw/zinc/29/16/51/1098291651.db2.gz GGOVSJGYZIDZJC-UHFFFAOYSA-N 0 0 323.261 3.014 20 10 DGCDRN Oc1ccc(F)c(F)c1CN1CCc2nc(Cl)ccc2C1 ZINC001233334410 1098291989 /nfs/dbraw/zinc/29/19/89/1098291989.db2.gz FSJLICLIPRJYJP-UHFFFAOYSA-N 0 0 310.731 3.277 20 10 DGCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001233334467 1098292722 /nfs/dbraw/zinc/29/27/22/1098292722.db2.gz IECBVHPMSYCXMF-ZDUSSCGKSA-N 0 0 305.324 3.324 20 10 DGCDRN [O-]c1c(C[N@@H+]2CCCC3(COC3)C2)cccc1C(F)(F)F ZINC001233416879 1098321836 /nfs/dbraw/zinc/32/18/36/1098321836.db2.gz ZWRYAUQTMPDMCX-UHFFFAOYSA-N 0 0 301.308 3.023 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CCC[C@@H]1O ZINC001233415640 1098321859 /nfs/dbraw/zinc/32/18/59/1098321859.db2.gz DFYIHGYFCYTHGJ-MFKMUULPSA-N 0 0 303.324 3.004 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CCC[C@@]1(C)O ZINC001233415683 1098322233 /nfs/dbraw/zinc/32/22/33/1098322233.db2.gz FQLCKUBNFNJCOI-IAQYHMDHSA-N 0 0 317.351 3.394 20 10 DGCDRN CC[N@H+](Cc1cccc(C(F)(F)F)c1[O-])C1CCOCC1 ZINC001233417633 1098323243 /nfs/dbraw/zinc/32/32/43/1098323243.db2.gz BPSZKXGYZVGSAV-UHFFFAOYSA-N 0 0 303.324 3.412 20 10 DGCDRN [O-]c1c(C[N@@H+]2CCC[C@]23CCOC3)cccc1C(F)(F)F ZINC001233419401 1098325225 /nfs/dbraw/zinc/32/52/25/1098325225.db2.gz WSEUJAUNCILSRZ-CQSZACIVSA-N 0 0 301.308 3.166 20 10 DGCDRN Oc1c(CN2CC3(C2)CC(F)(F)CO3)cccc1C(F)(F)F ZINC001233419307 1098326050 /nfs/dbraw/zinc/32/60/50/1098326050.db2.gz SOJZRNOTHWCGFQ-UHFFFAOYSA-N 0 0 323.261 3.021 20 10 DGCDRN Cc1nc2c(o1)CCN(Cc1cccc(C(F)(F)F)c1O)C2 ZINC001233419989 1098326410 /nfs/dbraw/zinc/32/64/10/1098326410.db2.gz VJUJEEOZAGUVSR-UHFFFAOYSA-N 0 0 312.291 3.266 20 10 DGCDRN Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCOCC12CCC2 ZINC001233455080 1098341522 /nfs/dbraw/zinc/34/15/22/1098341522.db2.gz VDEQODZJOGFLBD-UHFFFAOYSA-N 0 0 301.308 3.166 20 10 DGCDRN Oc1cc(O)c(CN2CCc3cccc(Cl)c3C2)cc1O ZINC001233486433 1098348092 /nfs/dbraw/zinc/34/80/92/1098348092.db2.gz MZWDEAHGIIIZCR-UHFFFAOYSA-N 0 0 305.761 3.015 20 10 DGCDRN Cc1ccc(/C=C/N(C)S(=O)(=O)Cc2ccc(N)cc2)cc1 ZINC001176421774 1098350653 /nfs/dbraw/zinc/35/06/53/1098350653.db2.gz CDCZLGHGMRMOJI-VAWYXSNFSA-N 0 0 316.426 3.010 20 10 DGCDRN O=C(Cc1cccc2ccccc21)NCc1cccc(O)c1O ZINC001176566289 1098388686 /nfs/dbraw/zinc/38/86/86/1098388686.db2.gz UGSHFACBXHNCQL-UHFFFAOYSA-N 0 0 307.349 3.110 20 10 DGCDRN CCN1CCc2cc(OC3CCC(C(=O)OC)CC3)ccc21 ZINC001233608597 1098389227 /nfs/dbraw/zinc/38/92/27/1098389227.db2.gz XHBLFUGJMARVEA-UHFFFAOYSA-N 0 0 303.402 3.180 20 10 DGCDRN CSc1ccc(C)c(C(=O)NCc2cc(O)ccc2O)c1 ZINC001176748355 1098419159 /nfs/dbraw/zinc/41/91/59/1098419159.db2.gz PYLZMLORNAXLHI-UHFFFAOYSA-N 0 0 303.383 3.058 20 10 DGCDRN CC(C)[C@@H](Oc1nc[nH]c2cc(=O)c(O)cc1-2)C(F)(F)F ZINC001233949247 1098465008 /nfs/dbraw/zinc/46/50/08/1098465008.db2.gz AVMRHLYTBKLQIO-LLVKDONJSA-N 0 0 302.252 3.007 20 10 DGCDRN CC(C)C[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])N(C)C ZINC001177200340 1098488208 /nfs/dbraw/zinc/48/82/08/1098488208.db2.gz WHPGWGXTOWWTGN-ZDUSSCGKSA-N 0 0 302.821 3.251 20 10 DGCDRN CN(Cc1cccs1)c1ccc(CNCc2cc[nH]n2)cc1 ZINC001177186628 1098493627 /nfs/dbraw/zinc/49/36/27/1098493627.db2.gz STSUODMPZMJXCU-UHFFFAOYSA-N 0 0 312.442 3.397 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H](C)c1cc(C)cnc1F ZINC001234477099 1098566493 /nfs/dbraw/zinc/56/64/93/1098566493.db2.gz RFDRAPUCPPSSEJ-JTQLQIEISA-N 0 0 305.305 3.283 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3CCCC[C@](C)(O)C3)c2c1 ZINC001234526456 1098580336 /nfs/dbraw/zinc/58/03/36/1098580336.db2.gz WALJYEVQKHSIJC-IBGZPJMESA-N 0 0 315.413 3.291 20 10 DGCDRN CC[C@@]12C[C@@H](CO1)[N@H+](Cc1c(O)ccc3ccc(OC)cc31)C2 ZINC001234562966 1098602097 /nfs/dbraw/zinc/60/20/97/1098602097.db2.gz YYSIJDSYUVZRDW-LIRRHRJNSA-N 0 0 313.397 3.307 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3CCN(C)C(C)(C)C3)c2c1 ZINC001234562157 1098602707 /nfs/dbraw/zinc/60/27/07/1098602707.db2.gz IYHMMZXGDMJDCZ-UHFFFAOYSA-N 0 0 314.429 3.080 20 10 DGCDRN Cc1ccccc1[C@@H](O)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001177800316 1098619301 /nfs/dbraw/zinc/61/93/01/1098619301.db2.gz YNUWAMVCJMBXQZ-HNNXBMFYSA-N 0 0 309.768 3.316 20 10 DGCDRN CC(C)Oc1c(O)c(=O)cc2[nH]c(-c3ccccc3)cc(O)c1-2 ZINC001234678339 1098642494 /nfs/dbraw/zinc/64/24/94/1098642494.db2.gz GAOCCYXVONHRGH-UHFFFAOYSA-N 0 0 311.337 3.394 20 10 DGCDRN CO[C@@]1(C)C[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1(C)C ZINC001177928319 1098657898 /nfs/dbraw/zinc/65/78/98/1098657898.db2.gz GWBDMKFONNYSIR-DOMZBBRYSA-N 0 0 301.789 3.478 20 10 DGCDRN Oc1c(CN2CC(O)(C(F)(F)F)C2)cccc1-c1ccccc1 ZINC001234990267 1098736592 /nfs/dbraw/zinc/73/65/92/1098736592.db2.gz FUYXFYCZXZHOQV-UHFFFAOYSA-N 0 0 323.314 3.168 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1ccc(-c2ccccc2)[nH]1 ZINC001178413309 1098829058 /nfs/dbraw/zinc/82/90/58/1098829058.db2.gz QFUQJNBPNBSANR-UHFFFAOYSA-N 0 0 310.328 3.456 20 10 DGCDRN O=C(NCc1c(O)cccc1O)[C@@H]1CCc2c1cccc2Cl ZINC001178912290 1098968887 /nfs/dbraw/zinc/96/88/87/1098968887.db2.gz RKVNSIGDODVRPZ-GFCCVEGCSA-N 0 0 317.772 3.097 20 10 DGCDRN C/C(=C/C(=O)NCc1c(O)cccc1O)c1cccc(Cl)c1 ZINC001178910533 1098969507 /nfs/dbraw/zinc/96/95/07/1098969507.db2.gz FVBCKPBCXBKABI-FLIBITNWSA-N 0 0 317.772 3.471 20 10 DGCDRN C[C@@H]1OCC[C@@H]1C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001178961658 1098982547 /nfs/dbraw/zinc/98/25/47/1098982547.db2.gz QTQUZVAVMFSZNC-KSSFIOAISA-N 0 0 310.397 3.227 20 10 DGCDRN CC(C)(C)c1ccc(CN2CC(N3CCC(F)(F)C3)C2)c(O)c1 ZINC001235677753 1099119758 /nfs/dbraw/zinc/11/97/58/1099119758.db2.gz HGVAPWQAUVABHK-UHFFFAOYSA-N 0 0 324.415 3.215 20 10 DGCDRN Cc1noc([C@@H]2CC[N@H+](Cc3ccc(C(C)(C)C)cc3O)C2)n1 ZINC001235677746 1099120142 /nfs/dbraw/zinc/12/01/42/1099120142.db2.gz GZCHRJLDDXZJFN-CQSZACIVSA-N 0 0 315.417 3.371 20 10 DGCDRN CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c(O)c1 ZINC001235677717 1099120628 /nfs/dbraw/zinc/12/06/28/1099120628.db2.gz GMDJSLURVKVODV-MRXNPFEDSA-N 0 0 314.433 3.118 20 10 DGCDRN CC(C)(C)c1ccc(CN(CCO)CC(F)(F)F)c(O)c1 ZINC001235680133 1099123719 /nfs/dbraw/zinc/12/37/19/1099123719.db2.gz SUNXFFHKZFFHIA-UHFFFAOYSA-N 0 0 305.340 3.046 20 10 DGCDRN CCC[C@@H](O)CCNC(=O)c1sccc1-n1c(C)ccc1C ZINC001179583996 1099150654 /nfs/dbraw/zinc/15/06/54/1099150654.db2.gz SIKZTLQGEQNOBH-CQSZACIVSA-N 0 0 320.458 3.437 20 10 DGCDRN Cc1ccc(CN(C)C(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC001179687099 1099163206 /nfs/dbraw/zinc/16/32/06/1099163206.db2.gz OWNXWEZDAGHQOH-VQHVLOKHSA-N 0 0 311.381 3.386 20 10 DGCDRN Cc1nc2c(cccc2NC(=O)/C=C/c2ccc(O)c(O)c2)o1 ZINC001179687281 1099163723 /nfs/dbraw/zinc/16/37/23/1099163723.db2.gz RYNUHKVSNCQYPQ-SOFGYWHQSA-N 0 0 310.309 3.199 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1csc2cnccc12 ZINC001179683254 1099176178 /nfs/dbraw/zinc/17/61/78/1099176178.db2.gz HKMPVZAODCFHOL-DUXPYHPUSA-N 0 0 312.350 3.359 20 10 DGCDRN CC(=O)c1ccsc1NC(=O)C=Cc1ccc(O)c(O)c1 ZINC001179683203 1099176266 /nfs/dbraw/zinc/17/62/66/1099176266.db2.gz MBWPWRIESCUVOV-HWKANZROSA-N 0 0 303.339 3.014 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCCc3cccnc32)cc1 ZINC001179734230 1099188235 /nfs/dbraw/zinc/18/82/35/1099188235.db2.gz QNHWZOPADBSZKP-AWEZNQCLSA-N 0 0 323.356 3.051 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC001180178128 1099324252 /nfs/dbraw/zinc/32/42/52/1099324252.db2.gz QABQMVPYDKFLSR-AWEZNQCLSA-N 0 0 323.339 3.445 20 10 DGCDRN C[C@H]1c2cccn2CCN1Cc1cc(F)c(N(C)C)cc1F ZINC001180429824 1099403010 /nfs/dbraw/zinc/40/30/10/1099403010.db2.gz GFKKWEXSCGQYKE-LBPRGKRZSA-N 0 0 305.372 3.409 20 10 DGCDRN [O-]c1c(Cl)cccc1CN1CC[NH2+]C[C@@H]1c1cccs1 ZINC001236116782 1099404580 /nfs/dbraw/zinc/40/45/80/1099404580.db2.gz OSWONFCJRKNKAZ-CYBMUJFWSA-N 0 0 308.834 3.254 20 10 DGCDRN O=C1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CN1C1CCCCC1 ZINC001180699350 1099494013 /nfs/dbraw/zinc/49/40/13/1099494013.db2.gz ZBIYHIPRVZHKKB-ZDUSSCGKSA-N 0 0 322.836 3.069 20 10 DGCDRN Cc1csc2nc(C)nc(NCc3c(O)cccc3O)c12 ZINC001187717467 1099584748 /nfs/dbraw/zinc/58/47/48/1099584748.db2.gz UKLXMDJSKJIODS-UHFFFAOYSA-N 0 0 301.371 3.331 20 10 DGCDRN Cc1n[nH]cc1C(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001188065658 1099676329 /nfs/dbraw/zinc/67/63/29/1099676329.db2.gz WJRQKWOVAJLORN-INIZCTEOSA-N 0 0 313.401 3.094 20 10 DGCDRN Cc1[nH]ccc1C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001188161405 1099714546 /nfs/dbraw/zinc/71/45/46/1099714546.db2.gz AJYRDPATSIEBRL-UHFFFAOYSA-N 0 0 315.760 3.160 20 10 DGCDRN Oc1ccc(OCc2ccccc2)cc1CN1C[C@@H](F)[C@H](F)C1 ZINC001236780229 1099779889 /nfs/dbraw/zinc/77/98/89/1099779889.db2.gz ZQZOMHUPZSLRKB-IAGOWNOFSA-N 0 0 319.351 3.463 20 10 DGCDRN CCc1ccc(C[N@@H+]2CCC[C@H](c3noc(C)n3)C2)c(O)c1 ZINC001236782294 1099781786 /nfs/dbraw/zinc/78/17/86/1099781786.db2.gz AFQAUOWQXDCUEF-HNNXBMFYSA-N 0 0 301.390 3.026 20 10 DGCDRN CCc1ccc(CN2CCOC[C@@H]2c2csc(C)n2)c(O)c1 ZINC001236787688 1099784750 /nfs/dbraw/zinc/78/47/50/1099784750.db2.gz MUOLBVFEZUCHHZ-MRXNPFEDSA-N 0 0 318.442 3.293 20 10 DGCDRN CCc1ccc(CN2CCc3cnc(SC)nc3C2)c(O)c1 ZINC001236792861 1099788704 /nfs/dbraw/zinc/78/87/04/1099788704.db2.gz SLHGYCMKDDDQAN-UHFFFAOYSA-N 0 0 315.442 3.025 20 10 DGCDRN COc1cc(O)c(CN2CCC(=O)[C@H]3CCCC[C@H]32)c(Cl)c1 ZINC001236797723 1099791402 /nfs/dbraw/zinc/79/14/02/1099791402.db2.gz INNNKGCCZWUWFW-SWLSCSKDSA-N 0 0 323.820 3.388 20 10 DGCDRN [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001236799186 1099792955 /nfs/dbraw/zinc/79/29/55/1099792955.db2.gz MAFOVFJNQJWUOF-OTYXRUKQSA-N 0 0 302.201 3.310 20 10 DGCDRN CC[C@@]12C[C@@H](CO1)N(Cc1cc(Cl)c(Cl)cc1O)C2 ZINC001236800850 1099794697 /nfs/dbraw/zinc/79/46/97/1099794697.db2.gz YTCSOFKJNCZACV-HZMBPMFUSA-N 0 0 302.201 3.452 20 10 DGCDRN COc1cc(C)c(C[N@H+](C)C[C@@H]2Cc3ccccc3O2)c(O)c1 ZINC001236815890 1099804117 /nfs/dbraw/zinc/80/41/17/1099804117.db2.gz PGSFYTVAFRKICK-INIZCTEOSA-N 0 0 313.397 3.145 20 10 DGCDRN COc1ccc(C[N@H+](C(C)C)C2CCOCC2)c([O-])c1Cl ZINC001236818568 1099805601 /nfs/dbraw/zinc/80/56/01/1099805601.db2.gz OIQHXCIJZOASNH-UHFFFAOYSA-N 0 0 313.825 3.444 20 10 DGCDRN CCOC(=O)[C@@]12C[C@@H]1CCN2Cc1cc2ccccc2cc1O ZINC001236830518 1099815487 /nfs/dbraw/zinc/81/54/87/1099815487.db2.gz PBHLFDKPPRAFRH-QFBILLFUSA-N 0 0 311.381 3.073 20 10 DGCDRN Oc1cc2ccccc2cc1CN1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001236834221 1099821015 /nfs/dbraw/zinc/82/10/15/1099821015.db2.gz UXTVDOPRJGEBCR-DZKIICNBSA-N 0 0 323.314 3.449 20 10 DGCDRN F[C@@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(N2CCOCC2)cc1Cl ZINC001236920030 1099878030 /nfs/dbraw/zinc/87/80/30/1099878030.db2.gz DFYGYHWVUYOXAZ-JLJPHGGASA-N 0 0 324.827 3.109 20 10 DGCDRN CC1CC([N@H+](C)Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236923857 1099879594 /nfs/dbraw/zinc/87/95/94/1099879594.db2.gz IAWYBRDZCWELCR-UHFFFAOYSA-N 0 0 308.853 3.407 20 10 DGCDRN CCOc1ccc(CN2CC(OCc3ccccc3)C2)c(O)c1 ZINC001237041476 1099939056 /nfs/dbraw/zinc/93/90/56/1099939056.db2.gz LKGGBHSDQQPQHE-UHFFFAOYSA-N 0 0 313.397 3.192 20 10 DGCDRN CCOc1ccc(CN2CCC[C@@H](F)C(F)(F)C2)c(O)c1 ZINC001237050673 1099943869 /nfs/dbraw/zinc/94/38/69/1099943869.db2.gz UFPVBJJSLSMCSN-CQSZACIVSA-N 0 0 303.324 3.360 20 10 DGCDRN CC(C)c1ccc(CN2CCOC[C@H]2c2cccnc2)c(O)c1 ZINC001237056158 1099947143 /nfs/dbraw/zinc/94/71/43/1099947143.db2.gz UMRRUOIGXOFECK-SFHVURJKSA-N 0 0 312.413 3.484 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)C[C@@]1(C)O ZINC001237078398 1099958322 /nfs/dbraw/zinc/95/83/22/1099958322.db2.gz RRQOBTWZLSVETL-YMTOWFKASA-N 0 0 304.217 3.292 20 10 DGCDRN C[C@]1(O)CCCC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237078527 1099959651 /nfs/dbraw/zinc/95/96/51/1099959651.db2.gz UGYLDMXWPGFROL-AWEZNQCLSA-N 0 0 304.217 3.436 20 10 DGCDRN O=C1CCN(Cc2c(O)ccc(Cl)c2Cl)CC[C@@H]1F ZINC001237078399 1099960026 /nfs/dbraw/zinc/96/00/26/1099960026.db2.gz RRWKSLUIBZEDEN-JTQLQIEISA-N 0 0 306.164 3.202 20 10 DGCDRN C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1c(O)ccc(Cl)c1Cl ZINC001237081854 1099961520 /nfs/dbraw/zinc/96/15/20/1099961520.db2.gz NPCMUZVYYOPAIY-GWCFXTLKSA-N 0 0 315.244 3.225 20 10 DGCDRN COC(=O)[C@]1(C)CC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237086982 1099964070 /nfs/dbraw/zinc/96/40/70/1099964070.db2.gz QJMBGGHZPMGMGY-CQSZACIVSA-N 0 0 318.200 3.084 20 10 DGCDRN O=C1CCC[C@H]2C[N@@H+](Cc3cc(C(F)(F)F)ccc3O)C[C@H]12 ZINC001237143794 1099991546 /nfs/dbraw/zinc/99/15/46/1099991546.db2.gz OLOLQTGYJDPRRJ-GWCFXTLKSA-N 0 0 313.319 3.212 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237384430 1100103314 /nfs/dbraw/zinc/10/33/14/1100103314.db2.gz WSGOFQFLNHYSMB-IINYFYTJSA-N 0 0 315.244 3.273 20 10 DGCDRN Cc1cccc(O)c1CN1Cc2cnn(-c3ccccc3)c2C1 ZINC001237493284 1100144056 /nfs/dbraw/zinc/14/40/56/1100144056.db2.gz XFQSLZFUGGBPGN-UHFFFAOYSA-N 0 0 305.381 3.402 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC001237621087 1100190358 /nfs/dbraw/zinc/19/03/58/1100190358.db2.gz TZVOBSQKBJVROY-AWEZNQCLSA-N 0 0 322.767 3.233 20 10 DGCDRN CC1(C)C[N@H+](Cc2cc(Cl)cc(F)c2[O-])[C@@](C)(CO)C1 ZINC001237617179 1100190576 /nfs/dbraw/zinc/19/05/76/1100190576.db2.gz MBLSFFHCNOUPSJ-OAHLLOKOSA-N 0 0 301.789 3.168 20 10 DGCDRN CC(=O)[C@@H]1CCCN1Cc1cc(Br)c(C)cc1O ZINC001237684343 1100215235 /nfs/dbraw/zinc/21/52/35/1100215235.db2.gz IRTXAUVVZDNULK-ZDUSSCGKSA-N 0 0 312.207 3.017 20 10 DGCDRN [O-]c1c(Cl)cc(F)cc1C[NH+]1CCC(c2ncccn2)CC1 ZINC001237798283 1100250106 /nfs/dbraw/zinc/25/01/06/1100250106.db2.gz CYEXGQCIFUGARQ-UHFFFAOYSA-N 0 0 321.783 3.354 20 10 DGCDRN CCN(Cc1ccccc1O)Cc1ccc(OC)nc1Cl ZINC001237798380 1100251898 /nfs/dbraw/zinc/25/18/98/1100251898.db2.gz KHMCBYZMMPZGSD-UHFFFAOYSA-N 0 0 306.793 3.471 20 10 DGCDRN CC1(C)C[N@H+](Cc2cc(F)cc(Cl)c2[O-])[C@](C)(CO)C1 ZINC001237808166 1100253473 /nfs/dbraw/zinc/25/34/73/1100253473.db2.gz RQZOFVCRKAVFEJ-HNNXBMFYSA-N 0 0 301.789 3.168 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2[O-])CC[C@@]1(C)O ZINC001237935739 1100296792 /nfs/dbraw/zinc/29/67/92/1100296792.db2.gz YJLLZCIMYIEKBG-MEBBXXQBSA-N 0 0 301.789 3.168 20 10 DGCDRN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC001237937695 1100297836 /nfs/dbraw/zinc/29/78/36/1100297836.db2.gz UAPZBFANUCMMGI-CYBMUJFWSA-N 0 0 322.767 3.233 20 10 DGCDRN Cc1cc(F)cc(CN(C)CC(=O)OCc2ccccc2)c1O ZINC001238068599 1100348446 /nfs/dbraw/zinc/34/84/46/1100348446.db2.gz VQMMCEZLBBGQMQ-UHFFFAOYSA-N 0 0 317.360 3.015 20 10 DGCDRN COc1ccc(N2CCN(Cc3cncc(C4CC4)c3)CC2)cc1 ZINC001238186567 1100383949 /nfs/dbraw/zinc/38/39/49/1100383949.db2.gz LZTBLBIVHUJWMF-UHFFFAOYSA-N 0 0 323.440 3.290 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1cncc(C3CC3)c1)CCC2 ZINC001238194787 1100387697 /nfs/dbraw/zinc/38/76/97/1100387697.db2.gz SVMAMRGNEAJPCV-UHFFFAOYSA-N 0 0 310.397 3.319 20 10 DGCDRN Cc1[nH]nc(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)c1C ZINC001191122700 1100406257 /nfs/dbraw/zinc/40/62/57/1100406257.db2.gz DMCZCLCTMOREHY-UHFFFAOYSA-N 0 0 320.396 3.456 20 10 DGCDRN CCCCOc1ncc(-c2ccn(CCOC)c(=O)c2)cc1C ZINC001238972271 1100565699 /nfs/dbraw/zinc/56/56/99/1100565699.db2.gz NZBHGCAAAKOREM-UHFFFAOYSA-N 0 0 316.401 3.044 20 10 DGCDRN COc1cc(C(=O)Nc2ccc(-n3cccc3)cc2)cc(O)c1O ZINC001193081029 1100700039 /nfs/dbraw/zinc/70/00/39/1100700039.db2.gz IKQBEGNLGDHIHX-UHFFFAOYSA-N 0 0 324.336 3.149 20 10 DGCDRN C[C@H]1CCN(C(=O)c2ccc(O)c(O)c2Cl)CCC1(F)F ZINC001193218454 1100717864 /nfs/dbraw/zinc/71/78/64/1100717864.db2.gz ACIWWBQXAXCPNB-QMMMGPOBSA-N 0 0 319.735 3.259 20 10 DGCDRN Cc1cccc(C)c1CNC(=O)c1ccc(O)c(O)c1Cl ZINC001193236569 1100719569 /nfs/dbraw/zinc/71/95/69/1100719569.db2.gz ICCBBQDBCBCKLK-UHFFFAOYSA-N 0 0 305.761 3.298 20 10 DGCDRN COCCn1ccc(-c2cccnc2-c2ccccc2)cc1=O ZINC001239882798 1100786303 /nfs/dbraw/zinc/78/63/03/1100786303.db2.gz ONQZGTHQEGJNET-UHFFFAOYSA-N 0 0 306.365 3.224 20 10 DGCDRN O=c1cc(-c2ccc(OCC(F)(F)F)nc2)ccn1CC1CC1 ZINC001239956061 1100812223 /nfs/dbraw/zinc/81/22/23/1100812223.db2.gz TYJOTTDXQVBFLJ-UHFFFAOYSA-N 0 0 324.302 3.261 20 10 DGCDRN Oc1ccc(CNc2c(F)c(F)c(F)c(F)c2F)cc1O ZINC000158847097 1100828054 /nfs/dbraw/zinc/82/80/54/1100828054.db2.gz XCYSTINCDBLZKV-UHFFFAOYSA-N 0 0 305.202 3.405 20 10 DGCDRN O=C(NCc1ccc(Br)cc1O)Oc1ccccc1 ZINC001194272574 1100907834 /nfs/dbraw/zinc/90/78/34/1100907834.db2.gz VXRGSLJCNCWQTM-UHFFFAOYSA-N 0 0 322.158 3.443 20 10 DGCDRN Cc1c(C)n(Cc2ccco2)c2ncnc(-c3cnn(C)c3)c12 ZINC001240293472 1100928385 /nfs/dbraw/zinc/92/83/85/1100928385.db2.gz IGEHGPBQYGTQPG-UHFFFAOYSA-N 0 0 307.357 3.090 20 10 DGCDRN Cc1nn(C)cc1-c1ncnc2c1ccn2Cc1cccc(F)c1 ZINC001240298924 1100931719 /nfs/dbraw/zinc/93/17/19/1100931719.db2.gz JXTYAGZHQHWMQS-UHFFFAOYSA-N 0 0 321.359 3.328 20 10 DGCDRN Cc1cccc(C)c1S(=O)(=O)Nc1ccc(O)c(C)c1C ZINC001194638216 1100977743 /nfs/dbraw/zinc/97/77/43/1100977743.db2.gz IUYUNROOTKKWRD-UHFFFAOYSA-N 0 0 305.399 3.427 20 10 DGCDRN CCOc1ncccc1-c1ccn(Cc2ccccc2F)c(=O)c1 ZINC001240497588 1101022989 /nfs/dbraw/zinc/02/29/89/1101022989.db2.gz PVJADZVOVFFKFU-UHFFFAOYSA-N 0 0 324.355 3.496 20 10 DGCDRN O=c1cc(-c2cnn(CC3CC3)c2)ccn1Cc1ccc(F)cc1 ZINC001240515350 1101031071 /nfs/dbraw/zinc/03/10/71/1101031071.db2.gz MVCRVNYYOCMQGG-UHFFFAOYSA-N 0 0 323.371 3.309 20 10 DGCDRN Cn1ccc2ccc(-c3cncc(C(=O)N4CCCC4)c3)cc21 ZINC001240574966 1101056273 /nfs/dbraw/zinc/05/62/73/1101056273.db2.gz MPPWHWAQOTUATR-UHFFFAOYSA-N 0 0 305.381 3.476 20 10 DGCDRN COC(=O)c1cc(-c2ccc3ccn(C)c3c2)cnc1N(C)C ZINC001240574554 1101056303 /nfs/dbraw/zinc/05/63/03/1101056303.db2.gz QSGSPKJSLMYHLF-UHFFFAOYSA-N 0 0 309.369 3.093 20 10 DGCDRN Cn1ccc2ccc(-c3cccn(-c4ccccn4)c3=O)cc21 ZINC001240576644 1101056756 /nfs/dbraw/zinc/05/67/56/1101056756.db2.gz UYSUCONBDKSEMU-UHFFFAOYSA-N 0 0 301.349 3.391 20 10 DGCDRN CCn1ccc(-c2cn(Cc3ccc(OC)cc3)nc2C)cc1=O ZINC001240658951 1101084614 /nfs/dbraw/zinc/08/46/14/1101084614.db2.gz OEFYJLODWMSNOV-UHFFFAOYSA-N 0 0 323.396 3.097 20 10 DGCDRN Cn1c(=O)cc(-c2cnn([C@H]3CCCCO3)c2)c2ccccc21 ZINC001240682248 1101095086 /nfs/dbraw/zinc/09/50/86/1101095086.db2.gz WJRYTUBZWYRUEX-GOSISDBHSA-N 0 0 309.369 3.101 20 10 DGCDRN CCn1ncc(CN2C[C@@H](C(C)C)Cc3cc(OC)ccc32)n1 ZINC001195322784 1101112669 /nfs/dbraw/zinc/11/26/69/1101112669.db2.gz GSVPICORYLWEOX-HNNXBMFYSA-N 0 0 314.433 3.142 20 10 DGCDRN Cn1c(=O)cnc2ccc(-c3cncc(C(F)(F)F)c3)cc21 ZINC001240792461 1101140737 /nfs/dbraw/zinc/14/07/37/1101140737.db2.gz XCFZXDLQGGKZED-UHFFFAOYSA-N 0 0 305.259 3.014 20 10 DGCDRN Cc1c[nH]nc1C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001195901630 1101214333 /nfs/dbraw/zinc/21/43/33/1101214333.db2.gz ZXVSPLXWXOMHPY-UHFFFAOYSA-N 0 0 306.369 3.147 20 10 DGCDRN CCOc1cccc(CNC(=S)Nc2cc(F)ccc2C)n1 ZINC001195943392 1101219160 /nfs/dbraw/zinc/21/91/60/1101219160.db2.gz CDLFILBAIXENNM-UHFFFAOYSA-N 0 0 319.405 3.414 20 10 DGCDRN COc1cccc(NC(=S)N[C@H](C)c2ccccc2O)c1 ZINC001196069404 1101245129 /nfs/dbraw/zinc/24/51/29/1101245129.db2.gz TXIFEQKSJCJOGA-LLVKDONJSA-N 0 0 302.399 3.448 20 10 DGCDRN CC(=O)c1ccc(NC(=S)NCc2cccc3ccnn32)cc1 ZINC001196578318 1101349068 /nfs/dbraw/zinc/34/90/68/1101349068.db2.gz IFFGTJBINBYHAV-UHFFFAOYSA-N 0 0 324.409 3.024 20 10 DGCDRN c1nc2c(ncnc2C2=CCN(c3ccccc3)CC2)n1C1CC1 ZINC001241345210 1101393469 /nfs/dbraw/zinc/39/34/69/1101393469.db2.gz AYEPEVLKLUZDNJ-UHFFFAOYSA-N 0 0 317.396 3.455 20 10 DGCDRN O=c1cc(C2=CCN(c3ccccc3)CC2)cnn1CC1CCC1 ZINC001241354212 1101398526 /nfs/dbraw/zinc/39/85/26/1101398526.db2.gz CQMIJXVAGIEHRY-UHFFFAOYSA-N 0 0 321.424 3.337 20 10 DGCDRN Cn1c(=O)cc(-c2ccc(N3CCCC3)nc2)c2ccccc21 ZINC001241379015 1101418377 /nfs/dbraw/zinc/41/83/77/1101418377.db2.gz OIAAAWQJKAWLBQ-UHFFFAOYSA-N 0 0 305.381 3.201 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2ccc(-c3nn[nH]n3)cc2)cn1 ZINC001241443665 1101462118 /nfs/dbraw/zinc/46/21/18/1101462118.db2.gz JZYSQKOBIWRTOE-UHFFFAOYSA-N 0 0 316.368 3.336 20 10 DGCDRN Cc1cc(-c2nc3ccccc3n2C)c(C2=CCC[N@H+](C)C2)nn1 ZINC001241567806 1101549929 /nfs/dbraw/zinc/54/99/29/1101549929.db2.gz KDYHBLGLFZNRNB-UHFFFAOYSA-N 0 0 319.412 3.058 20 10 DGCDRN C[C@@H]1CC[C@H](C[NH3+])N(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001205804630 1101561234 /nfs/dbraw/zinc/56/12/34/1101561234.db2.gz NZPLBTOGHMRPNN-BXKDBHETSA-N 0 0 303.233 3.258 20 10 DGCDRN Cn1ccc2c1cccc2-c1cnc(C(=O)OCC2CC2)cn1 ZINC001241821683 1101728814 /nfs/dbraw/zinc/72/88/14/1101728814.db2.gz JJOPZNQRTFPNCY-UHFFFAOYSA-N 0 0 307.353 3.202 20 10 DGCDRN Cc1cc(N2CCOCC2)ncc1-c1cccc2c1ccn2C ZINC001241821568 1101728913 /nfs/dbraw/zinc/72/89/13/1101728913.db2.gz IMECANVTUCHYIY-UHFFFAOYSA-N 0 0 307.397 3.385 20 10 DGCDRN Cn1ccc2c1cccc2-c1cccn(Cc2ccncc2)c1=O ZINC001241824774 1101730588 /nfs/dbraw/zinc/73/05/88/1101730588.db2.gz XFDLGNBWMJELCC-UHFFFAOYSA-N 0 0 315.376 3.450 20 10 DGCDRN Cc1cccc(C)c1NC(=S)NCc1cccc2ccnn21 ZINC001198378968 1101834377 /nfs/dbraw/zinc/83/43/77/1101834377.db2.gz WPCYUUZTAAPKGB-UHFFFAOYSA-N 0 0 310.426 3.438 20 10 DGCDRN C=CS(=O)(=O)Nc1ccccc1C(=O)c1cc(C)cc(C)c1 ZINC001198621755 1101945216 /nfs/dbraw/zinc/94/52/16/1101945216.db2.gz UHFVPOGBKLYBQT-UHFFFAOYSA-N 0 0 315.394 3.420 20 10 DGCDRN COCNC(=S)Nc1ccc(C)cc1C(=O)c1ccccc1 ZINC001198845646 1101998412 /nfs/dbraw/zinc/99/84/12/1101998412.db2.gz QUUZNCIXENGMRZ-UHFFFAOYSA-N 0 0 314.410 3.116 20 10 DGCDRN COc1ccc(S(=O)(=O)Nc2c(C)cc(O)cc2C)c(C)c1 ZINC001198943351 1102028459 /nfs/dbraw/zinc/02/84/59/1102028459.db2.gz GJFMFLJGJWYDHT-UHFFFAOYSA-N 0 0 321.398 3.127 20 10 DGCDRN CC(C)n1cc(-c2ccn(Cc3ccccc3F)c(=O)c2)cn1 ZINC001242436994 1102133035 /nfs/dbraw/zinc/13/30/35/1102133035.db2.gz CYKNVYIWHIATQU-UHFFFAOYSA-N 0 0 311.360 3.480 20 10 DGCDRN C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001199678579 1102181376 /nfs/dbraw/zinc/18/13/76/1102181376.db2.gz ORDUXJGIOKVSKK-FRRDWIJNSA-N 0 0 312.404 3.126 20 10 DGCDRN C[C@H](NC(=S)Nc1cccnc1)c1ccc(N(C)C)cc1 ZINC001199908173 1102230358 /nfs/dbraw/zinc/23/03/58/1102230358.db2.gz ABNCTSDZNAWXHK-LBPRGKRZSA-N 0 0 300.431 3.195 20 10 DGCDRN Cc1ccnc(CNC(=S)Nc2ccc(-n3cccn3)cc2)c1 ZINC001200872838 1102431235 /nfs/dbraw/zinc/43/12/35/1102431235.db2.gz ORQYCRPJWVFWNP-UHFFFAOYSA-N 0 0 323.425 3.062 20 10 DGCDRN CSc1cncc(-c2ccn(Cc3cccnc3)c(=O)c2)c1 ZINC001242949018 1102435684 /nfs/dbraw/zinc/43/56/84/1102435684.db2.gz JBALSJVSUDNNIU-UHFFFAOYSA-N 0 0 309.394 3.076 20 10 DGCDRN CCN(c1ccccc1)c1cc(-c2cncc(CO)c2)ncn1 ZINC001242969824 1102447846 /nfs/dbraw/zinc/44/78/46/1102447846.db2.gz OXHJIUVJTSLQDG-UHFFFAOYSA-N 0 0 306.369 3.189 20 10 DGCDRN CCCCCCNC(=S)N1CCCc2cc(O)c(O)cc2C1 ZINC001200950700 1102457929 /nfs/dbraw/zinc/45/79/29/1102457929.db2.gz JCJAACRVJRDAFE-UHFFFAOYSA-N 0 0 322.474 3.301 20 10 DGCDRN CN1C(=O)CCc2cc(NCc3cc(F)cc(F)c3O)ccc21 ZINC001201045458 1102482722 /nfs/dbraw/zinc/48/27/22/1102482722.db2.gz DFLPNFIIQGZRGW-UHFFFAOYSA-N 0 0 318.323 3.192 20 10 DGCDRN COC(=O)c1cnc(-c2cnccc2Cl)c2ccn(C)c21 ZINC001243041925 1102493133 /nfs/dbraw/zinc/49/31/33/1102493133.db2.gz JREIJLZQZWMEBW-UHFFFAOYSA-N 0 0 301.733 3.075 20 10 DGCDRN COc1cc(SC)c(-c2ccn(CC3CC3)c(=O)c2)cn1 ZINC001243051318 1102498903 /nfs/dbraw/zinc/49/89/03/1102498903.db2.gz ZMLBZCJQRQQENR-UHFFFAOYSA-N 0 0 302.399 3.051 20 10 DGCDRN CCOc1ccc(-c2ccn(CC(C)C)c(=O)c2)c(OCC)n1 ZINC001243155651 1102559614 /nfs/dbraw/zinc/55/96/14/1102559614.db2.gz NKTDDFUXAYIXOE-UHFFFAOYSA-N 0 0 316.401 3.364 20 10 DGCDRN Cc1nc(OC(C)C)ccc1-c1ccc2ncc(=O)n(C)c2c1 ZINC001243662142 1102893458 /nfs/dbraw/zinc/89/34/58/1102893458.db2.gz PGECLMCADVDVLV-UHFFFAOYSA-N 0 0 309.369 3.091 20 10 DGCDRN COc1nccc(SC)c1-c1cc(=O)n(C)c2ccccc12 ZINC001243729208 1102945715 /nfs/dbraw/zinc/94/57/15/1102945715.db2.gz FRLOEWSGOFWJSN-UHFFFAOYSA-N 0 0 312.394 3.331 20 10 DGCDRN O=C(COCC1CCCC1)Nc1c2nonc2ccc1Cl ZINC001325785244 1103124253 /nfs/dbraw/zinc/12/42/53/1103124253.db2.gz ABFMKWQHFGUSEM-UHFFFAOYSA-N 0 0 309.753 3.022 20 10 DGCDRN CN1CCCc2cc(CNC(=O)[C@@H]3CCC[C@@H](F)C3)ccc21 ZINC001325880211 1103148137 /nfs/dbraw/zinc/14/81/37/1103148137.db2.gz STLSUWCTJUTRNJ-HZPDHXFCSA-N 0 0 304.409 3.214 20 10 DGCDRN Cc1c(NCc2c(O)ccc(Cl)c2F)cccc1C(N)=O ZINC001326281388 1103254711 /nfs/dbraw/zinc/25/47/11/1103254711.db2.gz YJZSGVXRDAITBK-UHFFFAOYSA-N 0 0 308.740 3.204 20 10 DGCDRN CCn1cc(Cl)cc1C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC001545684138 1103345262 /nfs/dbraw/zinc/34/52/62/1103345262.db2.gz LMBBEBYVCBHEGX-SNVBAGLBSA-N 0 0 322.792 3.367 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCC1CCC(F)CC1 ZINC001326751569 1103429110 /nfs/dbraw/zinc/42/91/10/1103429110.db2.gz KLLGUEKHQUGYLO-UHFFFAOYSA-N 0 0 321.440 3.389 20 10 DGCDRN COC(=O)[C@@H](CC(C)(C)C)NCc1ccc(N2CCCC2)cc1 ZINC001327121405 1103534289 /nfs/dbraw/zinc/53/42/89/1103534289.db2.gz QCWFKBTYWIGYBI-QGZVFWFLSA-N 0 0 318.461 3.354 20 10 DGCDRN CO[C@@H](CSc1ncc(-c2ccccc2)n1C)[C@H]1CCOC1 ZINC001327518613 1103670765 /nfs/dbraw/zinc/67/07/65/1103670765.db2.gz RZXFTMDQSOILSF-HOCLYGCPSA-N 0 0 318.442 3.231 20 10 DGCDRN CSc1ncc(C)cc1-c1nnc(C)cc1-c1nccn1C ZINC001244880948 1103740422 /nfs/dbraw/zinc/74/04/22/1103740422.db2.gz UMCLEXDZNLKIJL-UHFFFAOYSA-N 0 0 311.414 3.278 20 10 DGCDRN O=C(/C=C/c1ccc(Cl)s1)NCc1cc(O)ccc1O ZINC001153885523 1103955985 /nfs/dbraw/zinc/95/59/85/1103955985.db2.gz PODLEWLTNVEHEJ-ZZXKWVIFSA-N 0 0 309.774 3.142 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001328482740 1103963575 /nfs/dbraw/zinc/96/35/75/1103963575.db2.gz QVMGAAXULBNMTG-JFUSQASVSA-N 0 0 315.747 3.343 20 10 DGCDRN COc1ccc(C[NH2+]C[C@@H](CCC(=O)[O-])C(F)(F)F)cc1C ZINC001328488312 1103964818 /nfs/dbraw/zinc/96/48/18/1103964818.db2.gz UZRVJWGSVZPEHA-GFCCVEGCSA-N 0 0 319.323 3.137 20 10 DGCDRN CCN(Cc1ccccc1O)C(=S)NCCc1ccccc1 ZINC001245310341 1103975522 /nfs/dbraw/zinc/97/55/22/1103975522.db2.gz CYFOKEJNERAPDZ-UHFFFAOYSA-N 0 0 314.454 3.331 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1ccc(Cl)nc1)CCC2 ZINC001137168614 1104032998 /nfs/dbraw/zinc/03/29/98/1104032998.db2.gz ICFYBXFWKPDMBY-UHFFFAOYSA-N 0 0 304.777 3.095 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCC[C@H](C)O)c1 ZINC001329416473 1104255557 /nfs/dbraw/zinc/25/55/57/1104255557.db2.gz CVXXXBZKEBPOAJ-ZDUSSCGKSA-N 0 0 320.820 3.248 20 10 DGCDRN CCCCN1CC[C@@]2(CCN(c3ccc(OCC)cc3)C2)C1=O ZINC001274793809 1104499140 /nfs/dbraw/zinc/49/91/40/1104499140.db2.gz KYCJIJZFQWVUFN-IBGZPJMESA-N 0 0 316.445 3.314 20 10 DGCDRN Cc1cc(CCNC(=O)NC2(C)CC2)c(C)n1-c1ccccc1 ZINC001330534262 1104570488 /nfs/dbraw/zinc/57/04/88/1104570488.db2.gz QCOISBKZKLRMJD-UHFFFAOYSA-N 0 0 311.429 3.488 20 10 DGCDRN COc1ccc(N(C)Cc2ccc(O[C@@H]3CCOC3)cc2)cc1 ZINC001330817055 1104653794 /nfs/dbraw/zinc/65/37/94/1104653794.db2.gz GHQQNWGOTQZOCQ-LJQANCHMSA-N 0 0 313.397 3.499 20 10 DGCDRN [O-]c1cc(F)cc(F)c1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCC1 ZINC001275307188 1104717413 /nfs/dbraw/zinc/71/74/13/1104717413.db2.gz ZDXILASDOQAPHZ-GASCZTMLSA-N 0 0 322.399 3.262 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2noc(C3(N)CCC3)n2)cc1 ZINC001247720270 1104964615 /nfs/dbraw/zinc/96/46/15/1104964615.db2.gz JFRJNVBHNPVXPX-UHFFFAOYSA-N 0 0 308.385 3.482 20 10 DGCDRN Cc1ncc(Cl)cc1-c1noc(Cc2ccc(O)c(O)c2)n1 ZINC001247961480 1105022373 /nfs/dbraw/zinc/02/23/73/1105022373.db2.gz PLYXNWPWZYOKSR-UHFFFAOYSA-N 0 0 317.732 3.095 20 10 DGCDRN Oc1ccc(Cc2nc(-c3ccc4ccccc4n3)no2)cc1O ZINC001247961402 1105022641 /nfs/dbraw/zinc/02/26/41/1105022641.db2.gz OMPPZCSBCSTTFS-UHFFFAOYSA-N 0 0 319.320 3.287 20 10 DGCDRN Cc1cc(C)c(-c2noc(/C=C/c3ccc(O)c(O)c3)n2)cn1 ZINC001247981471 1105027883 /nfs/dbraw/zinc/02/78/83/1105027883.db2.gz JAQRCXPPQOKXEO-GQCTYLIASA-N 0 0 309.325 3.330 20 10 DGCDRN COc1ccc(-c2noc(/C=C/c3ccc(N(C)C)cc3)n2)nc1 ZINC001248039361 1105037186 /nfs/dbraw/zinc/03/71/86/1105037186.db2.gz SLJMNLSOVIVJNX-IZZDOVSWSA-N 0 0 322.368 3.377 20 10 DGCDRN Nc1ccc(Cc2nc(-c3ccc(F)c4c3C(=O)CC4)no2)cc1 ZINC001248183164 1105063027 /nfs/dbraw/zinc/06/30/27/1105063027.db2.gz FHIKNYDJABKEKA-UHFFFAOYSA-N 0 0 323.327 3.178 20 10 DGCDRN Nc1ccc(Cc2nc(-c3cccc4cccnc43)no2)cc1 ZINC001248183153 1105063060 /nfs/dbraw/zinc/06/30/60/1105063060.db2.gz FEMYWHQVMSBSTP-UHFFFAOYSA-N 0 0 302.337 3.458 20 10 DGCDRN C[C@@H]1C(=O)N(C)CCN1Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001248883668 1105186613 /nfs/dbraw/zinc/18/66/13/1105186613.db2.gz MWTXYAKQWHNSDV-LLVKDONJSA-N 0 0 324.852 3.006 20 10 DGCDRN COc1ccc(C)cc1NC(=S)NCc1cccc(C)n1 ZINC001249650992 1105342788 /nfs/dbraw/zinc/34/27/88/1105342788.db2.gz PMELZUUTZDHOJR-UHFFFAOYSA-N 0 0 301.415 3.194 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(CF)cc2)c1 ZINC001137473338 1105528052 /nfs/dbraw/zinc/52/80/52/1105528052.db2.gz GDCSLCAEQBFFCI-NSHDSACASA-N 0 0 303.333 3.361 20 10 DGCDRN [O-]c1c(Cl)cccc1CN1CC[C@H]2C[N@@H+](C3CCCC3)C[C@H]21 ZINC001276380066 1105535834 /nfs/dbraw/zinc/53/58/34/1105535834.db2.gz GNRSVNNMHWWGKV-SUMWQHHRSA-N 0 0 320.864 3.494 20 10 DGCDRN CCn1c2ccc(Cl)cc2nc1-c1cc(O)c(O)c(O)c1 ZINC001251248300 1105643959 /nfs/dbraw/zinc/64/39/59/1105643959.db2.gz JYLMYYXTUHKGRR-UHFFFAOYSA-N 0 0 304.733 3.493 20 10 DGCDRN Oc1cc(O)c(-c2nc3ccc(F)cc3n2C2CC2)cc1O ZINC001251355598 1105652612 /nfs/dbraw/zinc/65/26/12/1105652612.db2.gz WBXPJTFFOXDYTQ-UHFFFAOYSA-N 0 0 300.289 3.294 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC/C=C/C1CC1 ZINC001251511542 1105665921 /nfs/dbraw/zinc/66/59/21/1105665921.db2.gz LQLVRKUPCVKJCY-SNAWJCMRSA-N 0 0 313.445 3.394 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NOC/C=C\Cl ZINC001251657557 1105678312 /nfs/dbraw/zinc/67/83/12/1105678312.db2.gz LJXHFNZSIROYNP-WTKPLQERSA-N 0 0 323.824 3.112 20 10 DGCDRN CCOC[C@H](O)CNc1ccc(C)cc1C(=O)c1ccccc1 ZINC001252040492 1105730061 /nfs/dbraw/zinc/73/00/61/1105730061.db2.gz KZCCFADYRIZIKG-MRXNPFEDSA-N 0 0 313.397 3.035 20 10 DGCDRN CC(C)(C)[C@H](O)CNc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001253714501 1105972962 /nfs/dbraw/zinc/97/29/62/1105972962.db2.gz BITSGVBKRAOWOI-QGZVFWFLSA-N 0 0 323.392 3.281 20 10 DGCDRN CCCS(=O)(=O)Nc1ccc(C)cc1C(=O)c1ccccc1 ZINC001253711671 1105973127 /nfs/dbraw/zinc/97/31/27/1105973127.db2.gz ZAHQTLKSNXDRRC-UHFFFAOYSA-N 0 0 317.410 3.378 20 10 DGCDRN Nc1ccc(CCn2cc(-c3ccc(F)c(F)c3)nn2)cc1 ZINC001254081747 1106015976 /nfs/dbraw/zinc/01/59/76/1106015976.db2.gz ZZWBJTQQBCGFDM-UHFFFAOYSA-N 0 0 300.312 3.048 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1cnc(N(C)C)s1 ZINC001254375433 1106062227 /nfs/dbraw/zinc/06/22/27/1106062227.db2.gz RMDURTNBKLNMNY-UHFFFAOYSA-N 0 0 303.431 3.171 20 10 DGCDRN Oc1ccc(Cc2nnc(Cc3cccc(Cl)c3)o2)cc1O ZINC001254434145 1106069228 /nfs/dbraw/zinc/06/92/28/1106069228.db2.gz JZPBZMGPMMHAJD-UHFFFAOYSA-N 0 0 316.744 3.316 20 10 DGCDRN Oc1ccc(Cc2nnc([C@H]3C[C@@H]3c3ccccc3)o2)cc1O ZINC001254568147 1106106202 /nfs/dbraw/zinc/10/62/02/1106106202.db2.gz MSPLXNODQHFGFE-KGLIPLIRSA-N 0 0 308.337 3.343 20 10 DGCDRN COc1ccc(CNC(=O)c2cc(C)c3ccccc3n2)c(O)c1 ZINC001256369009 1106411781 /nfs/dbraw/zinc/41/17/81/1106411781.db2.gz ASBUOAARBINOLX-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN COc1ccc(CNC(=O)NC[C@@H]2C[C@@H]2C2CCCC2)c(O)c1 ZINC001256435444 1106422495 /nfs/dbraw/zinc/42/24/95/1106422495.db2.gz FVSLAOYOLZMWCM-GOEBONIOSA-N 0 0 318.417 3.026 20 10 DGCDRN COc1cc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)on1 ZINC001256935521 1106513870 /nfs/dbraw/zinc/51/38/70/1106513870.db2.gz NAXGJZYVUCSWBB-UHFFFAOYSA-N 0 0 308.297 3.191 20 10 DGCDRN O=c1[nH]cccc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256940786 1106514513 /nfs/dbraw/zinc/51/45/13/1106514513.db2.gz LHHVNAKYNNPQFX-UHFFFAOYSA-N 0 0 304.309 3.295 20 10 DGCDRN CC(=O)c1cc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)n[nH]1 ZINC001256940641 1106514588 /nfs/dbraw/zinc/51/45/88/1106514588.db2.gz JHLPBFDWRHRKIA-UHFFFAOYSA-N 0 0 319.324 3.120 20 10 DGCDRN CCOC(=O)[C@@H](C)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256970550 1106518621 /nfs/dbraw/zinc/51/86/21/1106518621.db2.gz UUXBBCUGYIDAHS-LBPRGKRZSA-N 0 0 311.341 3.194 20 10 DGCDRN Cc1nnc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)s1 ZINC001256982283 1106521150 /nfs/dbraw/zinc/52/11/50/1106521150.db2.gz ZMYRFLGAMAZBFU-UHFFFAOYSA-N 0 0 309.354 3.354 20 10 DGCDRN Cc1ccc([C@@H]2C[C@@H]2c2nnc(-c3cc(O)c(O)c(O)c3)o2)cc1 ZINC001257209505 1106551515 /nfs/dbraw/zinc/55/15/15/1106551515.db2.gz LBHOSPOSLKLPQM-STQMWFEESA-N 0 0 324.336 3.433 20 10 DGCDRN Cc1ccc([C@@H]2C[C@@H]2c2nnc(-c3ccc(O)c(O)c3O)o2)cc1 ZINC001257209713 1106551558 /nfs/dbraw/zinc/55/15/58/1106551558.db2.gz NZWAIUSAKOQFNT-STQMWFEESA-N 0 0 324.336 3.433 20 10 DGCDRN Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(O)c(F)c1 ZINC001257614921 1106612655 /nfs/dbraw/zinc/61/26/55/1106612655.db2.gz OZAUPIVNSGNGIH-UHFFFAOYSA-N 0 0 315.753 3.294 20 10 DGCDRN CC(C)(C)Cc1nnc(-c2ccc(S(=O)(=O)[N-][N+]#N)cc2)o1 ZINC001257909874 1106646015 /nfs/dbraw/zinc/64/60/15/1106646015.db2.gz WAZCWRLNVXIBMP-UHFFFAOYSA-N 0 0 321.362 3.324 20 10 DGCDRN Oc1ccc(CCc2nnc(-c3ccc4c(c3)CCC4)o2)cc1O ZINC001258201134 1106695924 /nfs/dbraw/zinc/69/59/24/1106695924.db2.gz FIOLVSGHPGUROD-UHFFFAOYSA-N 0 0 322.364 3.422 20 10 DGCDRN COC(=O)CC[C@@H](C)[NH2+]Cc1cc(Cl)c2cccnc2c1[O-] ZINC001258355968 1106722340 /nfs/dbraw/zinc/72/23/40/1106722340.db2.gz MXMKEOUVIHWJJH-SNVBAGLBSA-N 0 0 322.792 3.025 20 10 DGCDRN COC(=O)CC(C)(C)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC001320508619 1107034062 /nfs/dbraw/zinc/03/40/62/1107034062.db2.gz FOQWPOKLHDRGRP-UHFFFAOYSA-N 0 0 320.216 3.473 20 10 DGCDRN CC(=O)c1cc(NS(=O)(=O)c2ccc(C)c(C)c2)ccc1O ZINC001259167167 1107088515 /nfs/dbraw/zinc/08/85/15/1107088515.db2.gz BIGHBRKPNZVILB-UHFFFAOYSA-N 0 0 319.382 3.012 20 10 DGCDRN CCCCC[C@@H](NCc1ccc(N2CCCC2)cc1)C(=O)OC ZINC001320795129 1107140750 /nfs/dbraw/zinc/14/07/50/1107140750.db2.gz QACBVPVLTRZQAU-GOSISDBHSA-N 0 0 318.461 3.498 20 10 DGCDRN Cc1cc(C)cc(S(=O)(=O)NCc2c(C)cc(C)cc2O)c1 ZINC001259528854 1107163659 /nfs/dbraw/zinc/16/36/59/1107163659.db2.gz SLZJNKBYTODANO-UHFFFAOYSA-N 0 0 319.426 3.104 20 10 DGCDRN O=C(COCc1ccccc1)Nc1c2nonc2ccc1Cl ZINC001320978912 1107211873 /nfs/dbraw/zinc/21/18/73/1107211873.db2.gz UOOAZQPERSHXQN-UHFFFAOYSA-N 0 0 317.732 3.032 20 10 DGCDRN CC(C)CS(=O)(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC001259883533 1107220053 /nfs/dbraw/zinc/22/00/53/1107220053.db2.gz HPIDNIXPUHJGIQ-UHFFFAOYSA-N 0 0 317.410 3.315 20 10 DGCDRN CCN(Cc1ccccc1O)S(=O)(=O)c1ccc(F)c(C)c1 ZINC001260759090 1107314953 /nfs/dbraw/zinc/31/49/53/1107314953.db2.gz MDEYXMBSZJDPPE-UHFFFAOYSA-N 0 0 323.389 3.051 20 10 DGCDRN Cc1cccc(S(=O)(=O)Nc2c(F)cc(O)cc2F)c1C ZINC001260999248 1107341963 /nfs/dbraw/zinc/34/19/63/1107341963.db2.gz RWNJVJDBBJRZTK-UHFFFAOYSA-N 0 0 313.325 3.088 20 10 DGCDRN CCOCc1cc(C[NH2+][C@@H](C(=O)[O-])C(C)(C)CC)ccc1OC ZINC001261491348 1107444401 /nfs/dbraw/zinc/44/44/01/1107444401.db2.gz RVQRIMRJWNEFNH-INIZCTEOSA-N 0 0 323.433 3.211 20 10 DGCDRN CCOc1ccc2c(c1)CN(C(=O)C1=CC(=O)CS1)CC2 ZINC001261667151 1107501190 /nfs/dbraw/zinc/50/11/90/1107501190.db2.gz MVQJBWZAOWYZHW-UHFFFAOYSA-N 0 0 303.383 3.051 20 10 DGCDRN Cc1ccc(C[C@@H](C)NC(=O)N2Cc3cccc(O)c3C2)s1 ZINC001261962738 1107565315 /nfs/dbraw/zinc/56/53/15/1107565315.db2.gz COHIMBUAYCXNDM-LLVKDONJSA-N 0 0 316.426 3.419 20 10 DGCDRN CC[C@H](NC(=O)NCc1cc(C)ccc1O)c1nccs1 ZINC001261963852 1107565608 /nfs/dbraw/zinc/56/56/08/1107565608.db2.gz ZUUCYAUVTAVJQR-LBPRGKRZSA-N 0 0 305.403 3.108 20 10 DGCDRN CO[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccc(F)cc1 ZINC001262030478 1107584143 /nfs/dbraw/zinc/58/41/43/1107584143.db2.gz LHEDETIRKLHPIB-OAHLLOKOSA-N 0 0 311.303 3.287 20 10 DGCDRN COc1cc(C)c(C[NH2+]CCCCC(=O)OC(C)(C)C)c(O)c1 ZINC001474668014 1107624587 /nfs/dbraw/zinc/62/45/87/1107624587.db2.gz NXHNBUBOLNBPCQ-UHFFFAOYSA-N 0 0 323.433 3.311 20 10 DGCDRN O=C(NCc1ccccc1O)c1csc(-c2ccco2)n1 ZINC001318082950 1107830582 /nfs/dbraw/zinc/83/05/82/1107830582.db2.gz SOIWUFIFGPNBHS-UHFFFAOYSA-N 0 0 300.339 3.039 20 10 DGCDRN C[C@@H]1CN(c2nnc(C3SC=CC3=O)n2C)CC(C)(C)C1 ZINC001262854615 1107846223 /nfs/dbraw/zinc/84/62/23/1107846223.db2.gz QQGFYGDSNHFRCN-JTQLQIEISA-N 0 0 306.435 3.122 20 10 DGCDRN COc1cccc(CNC(=O)[C@@H](C)c2ccc(F)c(F)c2)c1O ZINC001318781115 1108194722 /nfs/dbraw/zinc/19/47/22/1108194722.db2.gz XUHYIAVNHUQMDA-JTQLQIEISA-N 0 0 321.323 3.099 20 10 DGCDRN O=C(NCc1cccc(O)c1O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC001263894363 1108287554 /nfs/dbraw/zinc/28/75/54/1108287554.db2.gz CWJLEDJOSMTJES-JXFKEZNVSA-N 0 0 323.392 3.008 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCC[C@@H]1CCc2ccccc21 ZINC001324511907 1108324303 /nfs/dbraw/zinc/32/43/03/1108324303.db2.gz AMHNZOHBARJAKX-DIEDAUMRSA-N 0 0 323.392 3.347 20 10 DGCDRN Cc1cc(C(=O)N2C[C@@H](F)[C@@H](F)C2)c(C)n1-c1ccc(F)cc1 ZINC001324677923 1108420259 /nfs/dbraw/zinc/42/02/59/1108420259.db2.gz ATNQQEHRWJZLPC-IYBDPMFKSA-N 0 0 322.330 3.365 20 10 DGCDRN C[C@@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@@H]1CCCO1 ZINC001264286943 1108455226 /nfs/dbraw/zinc/45/52/26/1108455226.db2.gz DPJFFIMPOMDHQI-QAPCUYQASA-N 0 0 316.445 3.060 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCNc2ccccc2)c1 ZINC001319674480 1108587990 /nfs/dbraw/zinc/58/79/90/1108587990.db2.gz BKMDPNMKUCZEER-CYBMUJFWSA-N 0 0 314.385 3.080 20 10 DGCDRN C/C(=C\c1ccccn1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001264827100 1108663562 /nfs/dbraw/zinc/66/35/62/1108663562.db2.gz OFUKEAVJDLBZSZ-JLHYYAGUSA-N 0 0 313.376 3.006 20 10 DGCDRN Cc1ncccc1/C=C\C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC001264967194 1108685403 /nfs/dbraw/zinc/68/54/03/1108685403.db2.gz COFBTBJOUNITSR-CLFYSBASSA-N 0 0 323.352 3.291 20 10 DGCDRN CC[C@H]1CN(Cc2ccc(Br)cc2O)[C@H](C)CO1 ZINC000701194742 1108902789 /nfs/dbraw/zinc/90/27/89/1108902789.db2.gz WJGYQVMVLJUBST-MFKMUULPSA-N 0 0 314.223 3.154 20 10 DGCDRN Cc1cc(CCNC(=O)c2conc2C)c(C)n1-c1ccccc1 ZINC001287468596 1110115929 /nfs/dbraw/zinc/11/59/29/1110115929.db2.gz IZMUFHPOXGLAQF-UHFFFAOYSA-N 0 0 323.396 3.363 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CCOc2cccc(Cl)c2)c1 ZINC001301046710 1111079939 /nfs/dbraw/zinc/07/99/39/1111079939.db2.gz ICZSQLZCFUETKW-UHFFFAOYSA-N 0 0 319.788 3.439 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCOCCF ZINC001301473305 1111093384 /nfs/dbraw/zinc/09/33/84/1111093384.db2.gz ADJJQVTZAVICFR-UHFFFAOYSA-N 0 0 318.392 3.118 20 10 DGCDRN C[C@@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccccc1O ZINC001302530609 1111117412 /nfs/dbraw/zinc/11/74/12/1111117412.db2.gz SMXWVZFSBBIABL-VXGBXAGGSA-N 0 0 303.333 3.176 20 10 DGCDRN CC[C@@H](C[C@H](C)O)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001302687762 1111121607 /nfs/dbraw/zinc/12/16/07/1111121607.db2.gz ISYPAZSIQGPRKC-RDJZCZTQSA-N 0 0 314.429 3.373 20 10 DGCDRN Cc1c2cccc(F)c2oc1C(=O)NCc1cc(O)ccc1O ZINC001303223627 1111137417 /nfs/dbraw/zinc/13/74/17/1111137417.db2.gz YDIBMUFZRJIEEF-UHFFFAOYSA-N 0 0 315.300 3.222 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCCc3cccnc32)cc1 ZINC001304339956 1111173781 /nfs/dbraw/zinc/17/37/81/1111173781.db2.gz QNHWZOPADBSZKP-CQSZACIVSA-N 0 0 323.356 3.051 20 10 DGCDRN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CC[C@H](F)C1 ZINC001304794495 1111182890 /nfs/dbraw/zinc/18/28/90/1111182890.db2.gz LCPJNBVEAZWVGQ-HIFRSBDPSA-N 0 0 318.396 3.067 20 10 DGCDRN O=C(NCCCCCc1ccccc1)c1c(F)ccc(O)c1O ZINC001306489984 1111231268 /nfs/dbraw/zinc/23/12/68/1111231268.db2.gz HPOQHMUPONNHFA-UHFFFAOYSA-N 0 0 317.360 3.380 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1nc2ccccc2nc1F ZINC001307092287 1111264268 /nfs/dbraw/zinc/26/42/68/1111264268.db2.gz XWQWZCGOZBNGOP-JTQLQIEISA-N 0 0 313.332 3.223 20 10 DGCDRN Cc1cc(C(=O)Cn2ccnc2C)c(C)n1-c1ccc(F)cn1 ZINC001307320064 1111288479 /nfs/dbraw/zinc/28/84/79/1111288479.db2.gz SMNYPKWSEFTZCN-UHFFFAOYSA-N 0 0 312.348 3.016 20 10 DGCDRN CCN(C)c1ccc(CN[C@@]2(C(=O)OC)CC[C@H](C)CC2)cc1 ZINC001307917030 1111354869 /nfs/dbraw/zinc/35/48/69/1111354869.db2.gz NCONIERICDACFE-RHDGDCLCSA-N 0 0 318.461 3.354 20 10 DGCDRN COc1cc(CN(C)Cc2ccc(N(C)C)c(C)c2)sn1 ZINC001308109006 1111379249 /nfs/dbraw/zinc/37/92/49/1111379249.db2.gz KOVCQEFNCYNLQY-UHFFFAOYSA-N 0 0 305.447 3.158 20 10 DGCDRN Cc1cc(C)n(CCC[NH2+]Cc2cc(Cl)cc(F)c2[O-])n1 ZINC001308176921 1111391429 /nfs/dbraw/zinc/39/14/29/1111391429.db2.gz QPFFVNQMDPZJBP-UHFFFAOYSA-N 0 0 311.788 3.178 20 10 DGCDRN Cn1cnc2cc(NCc3ccc(N4CCOCC4)cc3)ccc21 ZINC001308312958 1111414914 /nfs/dbraw/zinc/41/49/14/1111414914.db2.gz ANFBYSBMDFJJRG-UHFFFAOYSA-N 0 0 322.412 3.022 20 10 DGCDRN COc1ccc(NC/C=C\c2ccc(N(C)C)cc2)c(OC)n1 ZINC001308339035 1111418391 /nfs/dbraw/zinc/41/83/91/1111418391.db2.gz BMKFUILHEVIZSQ-WAYWQWQTSA-N 0 0 313.401 3.290 20 10 DGCDRN Cc1nc2c(s1)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])CCC2 ZINC001308343749 1111419153 /nfs/dbraw/zinc/41/91/53/1111419153.db2.gz XUSHSXOASPVLSL-LBPRGKRZSA-N 0 0 319.386 3.233 20 10 DGCDRN CCOC(=O)CN(C/C=C/c1ccc(N(C)C)cc1)CC(C)C ZINC001308559103 1111443694 /nfs/dbraw/zinc/44/36/94/1111443694.db2.gz CIGFMVVKKOAGCI-BQYQJAHWSA-N 0 0 318.461 3.287 20 10 DGCDRN CCCN(C/C=C/c1ccc(N(C)C)cc1)CC(=O)OCC ZINC001308579878 1111447396 /nfs/dbraw/zinc/44/73/96/1111447396.db2.gz JKNBCZWJKBNPIB-BQYQJAHWSA-N 0 0 304.434 3.041 20 10 DGCDRN COc1ccc(CN2CCOc3cc(N(C)C)ccc32)c(F)c1 ZINC001308670070 1111458179 /nfs/dbraw/zinc/45/81/79/1111458179.db2.gz ZNJJIIDSAMGWOD-UHFFFAOYSA-N 0 0 316.376 3.299 20 10 DGCDRN CCOC(=O)[C@H](NCc1ccc(Cl)cc1O)c1ccccc1 ZINC001308699458 1111463230 /nfs/dbraw/zinc/46/32/30/1111463230.db2.gz QMJCPTBEYFBIFY-MRXNPFEDSA-N 0 0 319.788 3.440 20 10 DGCDRN COC(=O)[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])CC(C)C ZINC001308795186 1111476550 /nfs/dbraw/zinc/47/65/50/1111476550.db2.gz PZZXZFQWWZRXFA-LLVKDONJSA-N 0 0 317.788 3.110 20 10 DGCDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)N[C@H]1CCNC1=O ZINC001309981254 1111547624 /nfs/dbraw/zinc/54/76/24/1111547624.db2.gz BPWXNKNNYFFXPY-HNNXBMFYSA-N 0 0 323.356 3.112 20 10 DGCDRN C[C@@H](NC(=O)NCC=C(Cl)Cl)c1ccc(N(C)C)cc1 ZINC001311222326 1111590626 /nfs/dbraw/zinc/59/06/26/1111590626.db2.gz KVAWOKHABAPQOG-SNVBAGLBSA-N 0 0 316.232 3.432 20 10 DGCDRN C[C@@H](NC(=O)NCCc1cccc2[nH]ccc21)c1ccccc1O ZINC001312581350 1111660919 /nfs/dbraw/zinc/66/09/19/1111660919.db2.gz CQRJPBCZSLYEMU-CYBMUJFWSA-N 0 0 323.396 3.476 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC001312615303 1111662694 /nfs/dbraw/zinc/66/26/94/1111662694.db2.gz HRELDZYNYVIQPH-UKRRQHHQSA-N 0 0 316.788 3.401 20 10 DGCDRN CC[C@H](NC(=O)NCc1c(O)cccc1F)c1ccccc1 ZINC001312877701 1111678966 /nfs/dbraw/zinc/67/89/66/1111678966.db2.gz RHFSUFGUOIXTTA-HNNXBMFYSA-N 0 0 302.349 3.482 20 10 DGCDRN COc1ccc(CNC(=O)NCC2C[C@H](C)C[C@@H](C)C2)c(O)c1 ZINC001312985258 1111686384 /nfs/dbraw/zinc/68/63/84/1111686384.db2.gz WCUUDSMJSMSSRY-CHWSQXEVSA-N 0 0 320.433 3.272 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001313062130 1111691550 /nfs/dbraw/zinc/69/15/50/1111691550.db2.gz DSAGPMGUMCSUSK-NTZNESFSSA-N 0 0 308.809 3.281 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CCc2ccc(F)cc2)cc1 ZINC000078982493 185139765 /nfs/dbraw/zinc/13/97/65/185139765.db2.gz CLAOYIVMIUVQAZ-UHFFFAOYSA-N 0 0 300.377 3.141 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCCC1(C)C ZINC000476678817 282295630 /nfs/dbraw/zinc/29/56/30/282295630.db2.gz UUPBJMHDYILOJD-CQSZACIVSA-N 0 0 302.418 3.304 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)c1ccccn1 ZINC000066697433 432019678 /nfs/dbraw/zinc/01/96/78/432019678.db2.gz WXINHPKTCJWUBE-CQSZACIVSA-N 0 0 313.401 3.470 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCc1cccc(O)c1 ZINC000066700924 432019995 /nfs/dbraw/zinc/01/99/95/432019995.db2.gz GQVOHJLDDADBKG-UHFFFAOYSA-N 0 0 314.385 3.220 20 10 DGCDRN CCOc1cccc(CNc2ccc3c(c2)OCCO3)c1O ZINC000236941568 202083183 /nfs/dbraw/zinc/08/31/83/202083183.db2.gz MGKPBSJPWOXBAZ-UHFFFAOYSA-N 0 0 301.342 3.174 20 10 DGCDRN Cc1ccc(C(=O)N2CCCC[C@H]2c2cccn2C)c(O)c1O ZINC000179532777 432061780 /nfs/dbraw/zinc/06/17/80/432061780.db2.gz RGLLALWKPKKMIF-HNNXBMFYSA-N 0 0 314.385 3.112 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccc(F)cc1[O-] ZINC000170788861 432081365 /nfs/dbraw/zinc/08/13/65/432081365.db2.gz KITUQPOQTODPKT-LLVKDONJSA-N 0 0 303.333 3.153 20 10 DGCDRN COc1cccc(CNC(=O)Nc2nc(C3CC3)cs2)c1O ZINC000170791847 432081548 /nfs/dbraw/zinc/08/15/48/432081548.db2.gz NYXUWIPMEIWGLJ-UHFFFAOYSA-N 0 0 319.386 3.056 20 10 DGCDRN C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1[O-] ZINC000170789687 432081859 /nfs/dbraw/zinc/08/18/59/432081859.db2.gz GXHBPSDXWDHUSX-NSHDSACASA-N 0 0 304.321 3.333 20 10 DGCDRN Nc1ccc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cc1 ZINC000195308863 283665054 /nfs/dbraw/zinc/66/50/54/283665054.db2.gz MVHIVFVAKOZGQJ-NSHDSACASA-N 0 0 302.761 3.112 20 10 DGCDRN C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185831024 299353038 /nfs/dbraw/zinc/35/30/38/299353038.db2.gz HEYRDFHRTPGKHM-LPEHRKFASA-N 0 0 302.201 3.287 20 10 DGCDRN Cc1ccc(O)c(CN2CCO[C@@H](c3ccccc3F)C2)c1 ZINC000092975343 193191913 /nfs/dbraw/zinc/19/19/13/193191913.db2.gz BRIVGPMNJKKZMW-GOSISDBHSA-N 0 0 301.361 3.413 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)Cc1ccco1 ZINC000472282537 244295976 /nfs/dbraw/zinc/29/59/76/244295976.db2.gz XPRDLDXFZVLTFT-UHFFFAOYSA-N 0 0 311.385 3.421 20 10 DGCDRN CC[N@H+](Cc1ccccn1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093338737 193233959 /nfs/dbraw/zinc/23/39/59/193233959.db2.gz UMFFVURFRXEBSS-UHFFFAOYSA-N 0 0 321.764 3.371 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])[C@H](O)c1ccccc1 ZINC000290157011 296150177 /nfs/dbraw/zinc/15/01/77/296150177.db2.gz DARSAOLTIPTFHH-USBNGQNGSA-N 0 0 307.340 3.443 20 10 DGCDRN O=C(/C=C\c1cnccn1)N(CC(F)(F)F)c1ccccc1 ZINC000493681245 246040508 /nfs/dbraw/zinc/04/05/08/246040508.db2.gz JPQZMBKVNSULFS-SREVYHEPSA-N 0 0 307.275 3.085 20 10 DGCDRN O=[N+]([O-])c1ccc(N2CC=C(c3c[nH]c4ncccc34)CC2)nc1 ZINC000022357218 182319628 /nfs/dbraw/zinc/31/96/28/182319628.db2.gz ABJMIOCGXDPWPA-UHFFFAOYSA-N 0 0 321.340 3.160 20 10 DGCDRN [O-]c1c(Br)cccc1C[NH2+]CCOc1ccccc1 ZINC000042894657 183317334 /nfs/dbraw/zinc/31/73/34/183317334.db2.gz SNKVKIAJJKWTEK-UHFFFAOYSA-N 0 0 322.202 3.323 20 10 DGCDRN COc1ccccc1[C@H]1CCCN1C(=O)c1cccc(O)c1O ZINC000193015065 533024181 /nfs/dbraw/zinc/02/41/81/533024181.db2.gz YUXFEZLWPPAHTE-CQSZACIVSA-N 0 0 313.353 3.084 20 10 DGCDRN COc1nc(C)ccc1C(=O)NCc1c(C)c2ccccc2n1C ZINC000348635040 533178889 /nfs/dbraw/zinc/17/88/89/533178889.db2.gz LMWZYFVCBPHIJL-UHFFFAOYSA-N 0 0 323.396 3.129 20 10 DGCDRN COCCC[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000272121971 130000616 /nfs/dbraw/zinc/00/06/16/130000616.db2.gz SMMDSTMOLRXTHO-HNNXBMFYSA-N 0 0 318.461 3.306 20 10 DGCDRN Cc1ccc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)c(O)c1O ZINC000272738121 130059035 /nfs/dbraw/zinc/05/90/35/130059035.db2.gz LNTIELOVHPMAKW-ZDUSSCGKSA-N 0 0 319.401 3.018 20 10 DGCDRN CO[C@H](C)CCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000272778082 130062164 /nfs/dbraw/zinc/06/21/64/130062164.db2.gz XNNCRURZDBTPOL-CQSZACIVSA-N 0 0 304.434 3.059 20 10 DGCDRN Cc1cc(C(=O)Nc2nnc(C)n2C)c(C)n1-c1cccc(C)c1 ZINC000273205528 130097646 /nfs/dbraw/zinc/09/76/46/130097646.db2.gz RFGLAGCRKULJRL-UHFFFAOYSA-N 0 0 323.400 3.092 20 10 DGCDRN COc1ccc(O)c([C@H](C)N[C@@H](C)c2nnc(C(C)C)[nH]2)c1 ZINC000273343753 130110062 /nfs/dbraw/zinc/11/00/62/130110062.db2.gz AFIGOOHEDGDIKT-QWRGUYRKSA-N 0 0 304.394 3.054 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc([C@H](C)O)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273379225 130113830 /nfs/dbraw/zinc/11/38/30/130113830.db2.gz HUJWQENDLBJLKT-NEPJUHHUSA-N 0 0 316.357 3.205 20 10 DGCDRN C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1ccc(F)cc1[O-] ZINC000273424977 130120586 /nfs/dbraw/zinc/12/05/86/130120586.db2.gz TVDWYWMRXKNXBM-LBPRGKRZSA-N 0 0 316.376 3.084 20 10 DGCDRN COc1ccc(O)c([C@H](C)N[C@H](CO)c2c(F)cccc2F)c1 ZINC000273540897 130133259 /nfs/dbraw/zinc/13/32/59/130133259.db2.gz YFYZTQXERCCUQI-ZUZCIYMTSA-N 0 0 323.339 3.063 20 10 DGCDRN Cc1ccc([C@H](C)N[C@@H](CO)c2c(F)cccc2F)c(O)c1 ZINC000273537016 130134289 /nfs/dbraw/zinc/13/42/89/130134289.db2.gz XPYYPFUAFJEDBV-NHYWBVRUSA-N 0 0 307.340 3.363 20 10 DGCDRN CCCc1nc(C(=O)N(CC)Cc2ccc(N(C)C)cc2)co1 ZINC000273543691 130134924 /nfs/dbraw/zinc/13/49/24/130134924.db2.gz UDMWAKICJIDUKV-UHFFFAOYSA-N 0 0 315.417 3.355 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1nncn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000273568654 130139200 /nfs/dbraw/zinc/13/92/00/130139200.db2.gz KDSLJHUWDRDUCR-SFYZADRCSA-N 0 0 315.204 3.239 20 10 DGCDRN CN(C)c1ccc(CN(Cc2c(Cl)cnn2C)C2CC2)cc1 ZINC000275680066 130361170 /nfs/dbraw/zinc/36/11/70/130361170.db2.gz HJOYVZRDPCGYAO-UHFFFAOYSA-N 0 0 318.852 3.304 20 10 DGCDRN Cc1cnc(Cl)c(NC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000276198751 130453644 /nfs/dbraw/zinc/45/36/44/130453644.db2.gz NLBFBMFVMJILHS-UHFFFAOYSA-N 0 0 318.808 3.431 20 10 DGCDRN CN(C)c1ccc(CNc2ccc3c(c2)N(C(N)=O)CCC3)cc1 ZINC000278852530 130723045 /nfs/dbraw/zinc/72/30/45/130723045.db2.gz XAGWHCZWHXVAAC-UHFFFAOYSA-N 0 0 324.428 3.196 20 10 DGCDRN CC[C@](C)(OC)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000280539607 130805910 /nfs/dbraw/zinc/80/59/10/130805910.db2.gz POKBOSZCSZRUSM-SFHVURJKSA-N 0 0 304.434 3.059 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCO[C@H](C)C1 ZINC000283536141 131001011 /nfs/dbraw/zinc/00/10/11/131001011.db2.gz GTGDNVUEUVRHAA-GDBMZVCRSA-N 0 0 320.433 3.271 20 10 DGCDRN Cc1cc(CNC(=O)c2cc(C)n(-c3ccccc3)c2C)n(C)n1 ZINC000283972915 131037884 /nfs/dbraw/zinc/03/78/84/131037884.db2.gz AFVKVOVLKDXMPI-UHFFFAOYSA-N 0 0 322.412 3.066 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccc(F)cc1[O-] ZINC000285890134 131208347 /nfs/dbraw/zinc/20/83/47/131208347.db2.gz CFGZYUGQXSJKTC-WBVHZDCISA-N 0 0 307.340 3.445 20 10 DGCDRN Cn1ncc2c1nccc2NCc1ccc(N2CCCC2)cc1 ZINC000286090336 131218741 /nfs/dbraw/zinc/21/87/41/131218741.db2.gz KIPWBGVWQCNUIC-UHFFFAOYSA-N 0 0 307.401 3.181 20 10 DGCDRN C[C@@H]1CC=CC[C@H]1C(=O)NCc1cccc(Br)c1O ZINC000287069699 131261959 /nfs/dbraw/zinc/26/19/59/131261959.db2.gz MQHDOUKMQRYEIV-ZYHUDNBSSA-N 0 0 324.218 3.373 20 10 DGCDRN CON(CC(C)(C)C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000287081098 131263050 /nfs/dbraw/zinc/26/30/50/131263050.db2.gz CDYPESGKIHIZAY-UHFFFAOYSA-N 0 0 311.401 3.011 20 10 DGCDRN Cc1nnc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 ZINC000288413356 131324329 /nfs/dbraw/zinc/32/43/29/131324329.db2.gz NLPHRRPGCHBDPU-NSHDSACASA-N 0 0 324.331 3.060 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1c(C)noc1C ZINC000288994864 131350663 /nfs/dbraw/zinc/35/06/63/131350663.db2.gz HRXWFRSTDCMQMD-UHFFFAOYSA-N 0 0 302.374 3.440 20 10 DGCDRN CCN(Cc1cncc(OC)c1)c1ccc(OC)c(OC)c1 ZINC000289840907 131422104 /nfs/dbraw/zinc/42/21/04/131422104.db2.gz KEPDHWIRGQOEMO-UHFFFAOYSA-N 0 0 302.374 3.134 20 10 DGCDRN COC(=O)c1cnc(SC[C@H](Cc2ccccc2)OC)s1 ZINC000295385867 131900775 /nfs/dbraw/zinc/90/07/75/131900775.db2.gz UOXWYMWIBQQRQK-LBPRGKRZSA-N 0 0 323.439 3.280 20 10 DGCDRN CC1CCN(c2ccc(CN[C@@H]3CCn4ccnc43)cc2)CC1 ZINC000297600958 132025176 /nfs/dbraw/zinc/02/51/76/132025176.db2.gz IAIXWMMELOQLLN-GOSISDBHSA-N 0 0 310.445 3.354 20 10 DGCDRN Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)no1 ZINC000298322087 132056408 /nfs/dbraw/zinc/05/64/08/132056408.db2.gz FTOCKAIGXOMXSH-UHFFFAOYSA-N 0 0 301.390 3.100 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)NCc2ccncc2)C2CC2)cc1 ZINC000298881869 132081584 /nfs/dbraw/zinc/08/15/84/132081584.db2.gz PUKDQOMMKCBZBG-UHFFFAOYSA-N 0 0 324.428 3.022 20 10 DGCDRN C[C@H](CNC(=O)N(C)Cc1ccccc1O)c1ccc(F)cc1 ZINC000299153377 132091563 /nfs/dbraw/zinc/09/15/63/132091563.db2.gz GOCGPQDYFPPDSP-CYBMUJFWSA-N 0 0 316.376 3.476 20 10 DGCDRN C[C@@H]1CCN(C(=O)c2cccc(O)c2O)[C@H](c2ccco2)C1 ZINC000187157548 296541770 /nfs/dbraw/zinc/54/17/70/296541770.db2.gz JWBDRVNOCFDWHH-YPMHNXCESA-N 0 0 301.342 3.304 20 10 DGCDRN O=C(/C=C/c1cnccn1)N1CCCc2cc(Cl)cc(F)c21 ZINC000068145731 400236932 /nfs/dbraw/zinc/23/69/32/400236932.db2.gz IJVSWQCVEFUGKX-ONEGZZNKSA-N 0 0 317.751 3.262 20 10 DGCDRN COc1cccc(CNC(=O)[C@@H]2CCCc3ccccc32)c1O ZINC000068489237 400266216 /nfs/dbraw/zinc/26/62/16/400266216.db2.gz OCVXTSAQEYUFIQ-MRXNPFEDSA-N 0 0 311.381 3.137 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1c(F)cccc1F ZINC000072540552 400387129 /nfs/dbraw/zinc/38/71/29/400387129.db2.gz CBGZRUVLQWESST-UHFFFAOYSA-N 0 0 318.323 3.070 20 10 DGCDRN COCCCCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000047020032 400596531 /nfs/dbraw/zinc/59/65/31/400596531.db2.gz FOSRYTOYIJFKTJ-UHFFFAOYSA-N 0 0 318.392 3.390 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N(C)C(C2CC2)C2CC2)cc1F ZINC000051714443 400707528 /nfs/dbraw/zinc/70/75/28/400707528.db2.gz IPONZCFGZYAETH-UHFFFAOYSA-N 0 0 319.424 3.222 20 10 DGCDRN CCS[C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1O ZINC000078368515 400793267 /nfs/dbraw/zinc/79/32/67/400793267.db2.gz VXGCCAXHYQHVRB-UKRRQHHQSA-N 0 0 308.447 3.256 20 10 DGCDRN c1ccc2oc(NCc3ccc(N4CCOCC4)cc3)nc2c1 ZINC000053583210 400793313 /nfs/dbraw/zinc/79/33/13/400793313.db2.gz KKWMNMJWKSZLNW-UHFFFAOYSA-N 0 0 309.369 3.277 20 10 DGCDRN COCSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000078415343 400798486 /nfs/dbraw/zinc/79/84/86/400798486.db2.gz UXPHNLCJZXWTTJ-CQSZACIVSA-N 0 0 304.415 3.425 20 10 DGCDRN COc1ccc(OC)c(/C=C2\SC(=S)N(C3CC3)C2=O)c1 ZINC000054499017 400827159 /nfs/dbraw/zinc/82/71/59/400827159.db2.gz JDHXQQGNBJOQCV-JYRVWZFOSA-N 0 0 321.423 3.067 20 10 DGCDRN CO[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000061079181 401146750 /nfs/dbraw/zinc/14/67/50/401146750.db2.gz BVDFSYUPQUUHFJ-SFHVURJKSA-N 0 0 312.413 3.099 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)Cc2ccccc2F)cc1 ZINC000060678768 401132773 /nfs/dbraw/zinc/13/27/73/401132773.db2.gz UPYJVJXGJJSYNI-UHFFFAOYSA-N 0 0 300.377 3.093 20 10 DGCDRN CCN(Cc1cccc(F)c1)C(=O)CSc1nccs1 ZINC000060737992 401134189 /nfs/dbraw/zinc/13/41/89/401134189.db2.gz CEHQDFAKLATHNU-UHFFFAOYSA-N 0 0 310.419 3.423 20 10 DGCDRN C[C@@H](Sc1nccs1)C(=O)N(C)Cc1cccc(F)c1 ZINC000064661031 401246124 /nfs/dbraw/zinc/24/61/24/401246124.db2.gz ZDOBACKIHHHDLC-SNVBAGLBSA-N 0 0 310.419 3.421 20 10 DGCDRN CCc1ncsc1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000269526431 432182663 /nfs/dbraw/zinc/18/26/63/432182663.db2.gz IUYSESVJYOFWDH-UHFFFAOYSA-N 0 0 322.409 3.232 20 10 DGCDRN CC/C=C(\C)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000269849094 432214325 /nfs/dbraw/zinc/21/43/25/432214325.db2.gz TVSHGTMIMHNTCP-SNQWNFELSA-N 0 0 303.402 3.256 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@H]2C[C@H]2c2sccc2C)c1 ZINC000133599014 227038964 /nfs/dbraw/zinc/03/89/64/227038964.db2.gz VGAPUNAKEUDDSS-KGLIPLIRSA-N 0 0 317.410 3.191 20 10 DGCDRN Cc1ccccc1CCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173187265 228279385 /nfs/dbraw/zinc/27/93/85/228279385.db2.gz QPFBKLDLBXXUMC-UHFFFAOYSA-N 0 0 324.424 3.419 20 10 DGCDRN O=[N+]([O-])c1ccc(NCCc2ccc(O)c(O)c2)c(Cl)c1 ZINC000301574963 228896879 /nfs/dbraw/zinc/89/68/79/228896879.db2.gz MAKMOGOSMDJODU-UHFFFAOYSA-N 0 0 308.721 3.314 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)c1cccnc1 ZINC000349213150 229211200 /nfs/dbraw/zinc/21/12/00/229211200.db2.gz JIRQGACXLXTGSF-AWEZNQCLSA-N 0 0 322.412 3.442 20 10 DGCDRN CO[C@H]1CCC[C@@H](C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000352078689 229242602 /nfs/dbraw/zinc/24/26/02/229242602.db2.gz ALWODGLLDGIXFY-CABCVRRESA-N 0 0 314.429 3.308 20 10 DGCDRN CO[C@@H]1CCCC[C@@H]1C(=O)NCc1c(C)c2ccccc2n1C ZINC000352080364 229242941 /nfs/dbraw/zinc/24/29/41/229242941.db2.gz XVTBKHTVGDNIDQ-MAUKXSAKSA-N 0 0 314.429 3.308 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cnn(C(C)(C)C)c1 ZINC000352111547 229243731 /nfs/dbraw/zinc/24/37/31/229243731.db2.gz LMDWSMYHVRWBGL-UHFFFAOYSA-N 0 0 324.428 3.368 20 10 DGCDRN Cc1onc(-c2cccnc2)c1C(=O)N1CCc2cc(F)ccc21 ZINC000375877700 229584936 /nfs/dbraw/zinc/58/49/36/229584936.db2.gz WYEXYEFVBDDTJI-UHFFFAOYSA-N 0 0 323.327 3.387 20 10 DGCDRN Cc1c(/C=C/C(=O)N(CC(F)F)c2ccccc2)cnn1C ZINC000270335459 432234428 /nfs/dbraw/zinc/23/44/28/432234428.db2.gz KFXNIOHLAGGFKP-CMDGGOBGSA-N 0 0 305.328 3.040 20 10 DGCDRN CC(C)n1cc(/C=C2\c3cc(Cl)ccc3N(C)C2=O)nn1 ZINC000287380814 276082808 /nfs/dbraw/zinc/08/28/08/276082808.db2.gz ZYPDGCCKYLZHFL-NTUHNPAUSA-N 0 0 302.765 3.029 20 10 DGCDRN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cccc(O)c1O ZINC000193079842 533690245 /nfs/dbraw/zinc/69/02/45/533690245.db2.gz IFJKWTHOCYDOEK-DGCLKSJQSA-N 0 0 315.344 3.255 20 10 DGCDRN C[C@@H]1c2nnc(C3CCCC3)n2CCN1Cc1ccccc1O ZINC000290458350 278113115 /nfs/dbraw/zinc/11/31/15/278113115.db2.gz MXESQPKIABMPCL-CYBMUJFWSA-N 0 0 312.417 3.218 20 10 DGCDRN CC1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H]2CCC[C@H]21 ZINC000294874464 278291287 /nfs/dbraw/zinc/29/12/87/278291287.db2.gz UBWJWWZCJDOVHR-QPJKDDTCSA-N 0 0 301.386 3.148 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H](COC)OC)c1cc(Cl)cc(Cl)c1[O-] ZINC000287885160 288044043 /nfs/dbraw/zinc/04/40/43/288044043.db2.gz YQSCOFXIGFNFNR-GWCFXTLKSA-N 0 0 322.232 3.401 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C)[C@@H](CO)SC)c1cccc(Cl)c1[O-] ZINC000287880048 288060161 /nfs/dbraw/zinc/06/01/61/288060161.db2.gz YJJFFURRLZCOOZ-TVYUQYBPSA-N 0 0 303.855 3.199 20 10 DGCDRN CC[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1[O-])[C@@H](O)C(F)(F)F ZINC000276912643 288081125 /nfs/dbraw/zinc/08/11/25/288081125.db2.gz LANINZNLCJTYNB-PUQNFTFYSA-N 0 0 313.266 3.023 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)C(F)(F)F)cc2)CC1 ZINC000108295939 431132804 /nfs/dbraw/zinc/13/28/04/431132804.db2.gz FECPOHIKZFDYNA-UHFFFAOYSA-N 0 0 300.324 3.101 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)C3=COCCC3)cc2)CC1 ZINC000108295944 431133315 /nfs/dbraw/zinc/13/33/15/431133315.db2.gz UYIXNHVAHFGWHP-UHFFFAOYSA-N 0 0 314.429 3.233 20 10 DGCDRN CC(C)(C)OCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000109761543 431177798 /nfs/dbraw/zinc/17/77/98/431177798.db2.gz RVQGVUDWUPTTJP-INIZCTEOSA-N 0 0 307.434 3.188 20 10 DGCDRN CCc1nnc(CN(c2ccc(OC)cc2)[C@@H](C)C2CC2)n1C ZINC000111236682 431198127 /nfs/dbraw/zinc/19/81/27/431198127.db2.gz DMTUCHYSZFHHQW-ZDUSSCGKSA-N 0 0 314.433 3.191 20 10 DGCDRN CSc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)o1 ZINC000112270563 431261117 /nfs/dbraw/zinc/26/11/17/431261117.db2.gz XGIOBCGYALGQDL-UHFFFAOYSA-N 0 0 304.415 3.340 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCC12CCCCC2 ZINC000364998202 279719295 /nfs/dbraw/zinc/71/92/95/279719295.db2.gz ZMKVCIHRHJLREJ-SOFGYWHQSA-N 0 0 301.386 3.436 20 10 DGCDRN CSC(C)(C)CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000075365401 431473377 /nfs/dbraw/zinc/47/33/77/431473377.db2.gz PGYLWAHRKYZIMC-UHFFFAOYSA-N 0 0 317.458 3.361 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCC(C)(C)C[C@@H](C)O ZINC000074548862 431431338 /nfs/dbraw/zinc/43/13/38/431431338.db2.gz NNCDMBJFZUHHNJ-CQSZACIVSA-N 0 0 322.449 3.111 20 10 DGCDRN C[C@@H](C1CC1)N(C(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000077412746 431594781 /nfs/dbraw/zinc/59/47/81/431594781.db2.gz LMHWLSQNXODBAG-ZDUSSCGKSA-N 0 0 301.434 3.225 20 10 DGCDRN CCS[C@H](C)c1noc(CN(C)c2ccc3c(c2)OCO3)n1 ZINC000121411772 431783334 /nfs/dbraw/zinc/78/33/34/431783334.db2.gz HANOJXRTRBUKDL-SNVBAGLBSA-N 0 0 321.402 3.249 20 10 DGCDRN Cn1cnnc1-c1cccc(NCc2cc(Cl)ccc2O)c1 ZINC000122644464 431840192 /nfs/dbraw/zinc/84/01/92/431840192.db2.gz LNGPWWWEHSVZFR-UHFFFAOYSA-N 0 0 314.776 3.453 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)Cc2ccc(F)c(F)c2)cc1 ZINC000087024012 431848046 /nfs/dbraw/zinc/84/80/46/431848046.db2.gz GAKVDYUDEGZROI-UHFFFAOYSA-N 0 0 318.367 3.232 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)[C@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000122567127 431837070 /nfs/dbraw/zinc/83/70/70/431837070.db2.gz ANKLZPFJQRYAFO-OAGGEKHMSA-N 0 0 317.429 3.363 20 10 DGCDRN CN(C)c1ccc(CN(C)c2ccc(C(F)(F)F)nn2)cc1 ZINC000270902957 432300836 /nfs/dbraw/zinc/30/08/36/432300836.db2.gz GAGBGSZOHJRNGN-UHFFFAOYSA-N 0 0 310.323 3.198 20 10 DGCDRN COc1ccc2c(c1)CCCCN2Cc1nc([C@H](C)OC)no1 ZINC000270893384 432301061 /nfs/dbraw/zinc/30/10/61/432301061.db2.gz PMIITSZRMDTARB-LBPRGKRZSA-N 0 0 317.389 3.129 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000270629331 432268038 /nfs/dbraw/zinc/26/80/38/432268038.db2.gz IEQUGFYQMGJWRY-QGZVFWFLSA-N 0 0 311.381 3.168 20 10 DGCDRN CCc1ccc([C@H](COC)NCc2ccc(N(C)C)cc2)o1 ZINC000174479280 432350869 /nfs/dbraw/zinc/35/08/69/432350869.db2.gz SUJXVYSHKLPBIK-KRWDZBQOSA-N 0 0 302.418 3.385 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](CCO)C(C)(C)C)c1[O-] ZINC000183673094 432314107 /nfs/dbraw/zinc/31/41/07/432314107.db2.gz OYLHQPGYSAOJPX-CQSZACIVSA-N 0 0 313.825 3.135 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccoc1Cl ZINC000192435565 432374213 /nfs/dbraw/zinc/37/42/13/432374213.db2.gz GWIIGFITAMVGAC-UHFFFAOYSA-N 0 0 305.761 3.447 20 10 DGCDRN Cc1nnc(CN(Cc2ccc(N(C)C)cc2)C2CC2)s1 ZINC000271408328 432389982 /nfs/dbraw/zinc/38/99/82/432389982.db2.gz JMERPTDWZAHDIG-UHFFFAOYSA-N 0 0 302.447 3.077 20 10 DGCDRN C[C@H]([NH2+]CCn1ccnc1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192604366 432391823 /nfs/dbraw/zinc/39/18/23/432391823.db2.gz BMGOPHQFFCUESA-VIFPVBQESA-N 0 0 300.189 3.246 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000153307750 432399308 /nfs/dbraw/zinc/39/93/08/432399308.db2.gz NZJYEIGZUUXRFT-OKILXGFUSA-N 0 0 318.442 3.189 20 10 DGCDRN CN(C(=O)/C=C\c1cn(C)c2ccccc12)c1ncccc1F ZINC000254976895 432406612 /nfs/dbraw/zinc/40/66/12/432406612.db2.gz FKTHPFQIKHVKTE-KTKRTIGZSA-N 0 0 309.344 3.389 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Nc2ccncc2F)cc1 ZINC000184229583 432369853 /nfs/dbraw/zinc/36/98/53/432369853.db2.gz RUPNMDZKNOJABP-UHFFFAOYSA-N 0 0 316.380 3.389 20 10 DGCDRN Cc1ccc(C(=O)Nc2cccc(N3CCCC3)c2)c(O)c1O ZINC000271304234 432371008 /nfs/dbraw/zinc/37/10/08/432371008.db2.gz TZKJRIBAUHOJLO-UHFFFAOYSA-N 0 0 312.369 3.259 20 10 DGCDRN C[C@@H](NCc1nnc2n1CCCCC2)c1cc(Cl)ccc1O ZINC000184877603 432441446 /nfs/dbraw/zinc/44/14/46/432441446.db2.gz XZVZJPXSDJLOFQ-LLVKDONJSA-N 0 0 320.824 3.214 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000175504001 432443445 /nfs/dbraw/zinc/44/34/45/432443445.db2.gz FESYZYIQNNLPQR-UONOGXRCSA-N 0 0 317.335 3.433 20 10 DGCDRN Cc1cc(C(=O)N[C@H]2CC[C@H](O)CC2)c(C)n1-c1ccccc1 ZINC000153424252 432407985 /nfs/dbraw/zinc/40/79/85/432407985.db2.gz UVUIITWMRUTLKM-WOVMCDHWSA-N 0 0 312.413 3.127 20 10 DGCDRN CCOc1ccccc1N(C)C(=O)/C=C\c1cncc(F)c1 ZINC000255559003 432411049 /nfs/dbraw/zinc/41/10/49/432411049.db2.gz ZRPRYAXTWYGWAF-HJWRWDBZSA-N 0 0 300.333 3.296 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCCO3)cc2)CC1 ZINC000153534563 432416735 /nfs/dbraw/zinc/41/67/35/432416735.db2.gz YDGVOADPBHPNIK-SFHVURJKSA-N 0 0 316.445 3.108 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)[C@H]3CCCCO3)cc2)CC1 ZINC000153534659 432417802 /nfs/dbraw/zinc/41/78/02/432417802.db2.gz YDGVOADPBHPNIK-GOSISDBHSA-N 0 0 316.445 3.108 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCO[C@H](C)C1 ZINC000271584182 432419909 /nfs/dbraw/zinc/41/99/09/432419909.db2.gz RKXHGEVJINUWCG-CABCVRRESA-N 0 0 320.433 3.129 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1c[nH]c2ncccc12 ZINC000153569051 432420414 /nfs/dbraw/zinc/42/04/14/432420414.db2.gz YMZFYPDNAICOJX-UHFFFAOYSA-N 0 0 323.396 3.250 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(C(C)C)n(C)n1 ZINC000175336429 432425395 /nfs/dbraw/zinc/42/53/95/432425395.db2.gz BKSGEFNBXZJARK-UHFFFAOYSA-N 0 0 315.417 3.302 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)CC[C@H]1CC[C@@H](C)O1 ZINC000175866924 432473804 /nfs/dbraw/zinc/47/38/04/432473804.db2.gz KIDLWXXCYUKGCD-GDBMZVCRSA-N 0 0 305.418 3.479 20 10 DGCDRN Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000185464154 432501967 /nfs/dbraw/zinc/50/19/67/432501967.db2.gz BWUFORWYRUTNCC-GDBMZVCRSA-N 0 0 324.424 3.436 20 10 DGCDRN CC[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000176328576 432511781 /nfs/dbraw/zinc/51/17/81/432511781.db2.gz VZCLRRVREQBRJE-HNNXBMFYSA-N 0 0 301.434 3.228 20 10 DGCDRN O=C(c1cccc(O)c1O)N(CCc1cccc(F)c1)C1CC1 ZINC000185656398 432519510 /nfs/dbraw/zinc/51/95/10/432519510.db2.gz VEPDPNMVXSFKHV-UHFFFAOYSA-N 0 0 315.344 3.084 20 10 DGCDRN CC[C@H](c1ccncc1)N(CC)C(=O)c1cccc(O)c1O ZINC000185712949 432527019 /nfs/dbraw/zinc/52/70/19/432527019.db2.gz VWJHVXLBIRIOMM-CQSZACIVSA-N 0 0 300.358 3.106 20 10 DGCDRN COCC1=CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000185846520 432538336 /nfs/dbraw/zinc/53/83/36/432538336.db2.gz RWPOTJNKORWORS-UHFFFAOYSA-N 0 0 309.793 3.027 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)c2nc[nH]n2)c(C)n1-c1ccccc1C ZINC000176740167 432547464 /nfs/dbraw/zinc/54/74/64/432547464.db2.gz BOWHIKJZIWBNES-CYBMUJFWSA-N 0 0 323.400 3.012 20 10 DGCDRN CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000186176804 432565010 /nfs/dbraw/zinc/56/50/10/432565010.db2.gz FVOLDSFYPYOHDK-ZDUSSCGKSA-N 0 0 301.434 3.410 20 10 DGCDRN C[C@H](CCO)C1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000273501949 432605083 /nfs/dbraw/zinc/60/50/83/432605083.db2.gz QFLRMNIPQGJKTF-OLZOCXBDSA-N 0 0 322.405 3.140 20 10 DGCDRN CC(C)C[C@@H]1OCCC[C@H]1NC(=O)N(C)Cc1ccccc1O ZINC000186215819 432569810 /nfs/dbraw/zinc/56/98/10/432569810.db2.gz MPYSSXTYQZQBIS-WBVHZDCISA-N 0 0 320.433 3.127 20 10 DGCDRN COc1cccc(CNCc2csc(C(C)(C)C)n2)c1O ZINC000263735259 432571530 /nfs/dbraw/zinc/57/15/30/432571530.db2.gz ZANIKXIRDKOZMV-UHFFFAOYSA-N 0 0 306.431 3.445 20 10 DGCDRN Cc1scc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1C ZINC000186423868 432594091 /nfs/dbraw/zinc/59/40/91/432594091.db2.gz XSAAOQRSHRYFCY-VIFPVBQESA-N 0 0 305.399 3.137 20 10 DGCDRN Cc1cc(C(=O)NCc2nccn2C)c(C)n1-c1cccc(C)c1 ZINC000264309915 432633914 /nfs/dbraw/zinc/63/39/14/432633914.db2.gz NIYDXFMCSDACFV-UHFFFAOYSA-N 0 0 322.412 3.066 20 10 DGCDRN CC1(c2ccccc2)CC(NC(=O)NCc2ccccc2O)C1 ZINC000264404932 432643643 /nfs/dbraw/zinc/64/36/43/432643643.db2.gz PSLIIVBDODHLQH-UHFFFAOYSA-N 0 0 310.397 3.312 20 10 DGCDRN C[C@H]1CCN(C(=O)c2cccc(O)c2O)[C@H](c2ccco2)C1 ZINC000187157564 432650121 /nfs/dbraw/zinc/65/01/21/432650121.db2.gz JWBDRVNOCFDWHH-AAEUAGOBSA-N 0 0 301.342 3.304 20 10 DGCDRN Cc1cc(NCc2ccc(N3CCOCC3)cc2)nc(C2CC2)n1 ZINC000264647990 432661520 /nfs/dbraw/zinc/66/15/20/432661520.db2.gz OCDXWUUVXIPUIL-UHFFFAOYSA-N 0 0 324.428 3.111 20 10 DGCDRN CC(C)c1nnc2n1CCN(Cc1ccc(N(C)C)cc1)[C@H]2C ZINC000188449628 432725949 /nfs/dbraw/zinc/72/59/49/432725949.db2.gz OGSGPUNPDGSSPC-AWEZNQCLSA-N 0 0 313.449 3.044 20 10 DGCDRN COc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)s1 ZINC000177894385 432671222 /nfs/dbraw/zinc/67/12/22/432671222.db2.gz WUTWWCXDGVZXOS-LUAWRHEFSA-N 0 0 308.428 3.213 20 10 DGCDRN COCC1=CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000187620446 432673428 /nfs/dbraw/zinc/67/34/28/432673428.db2.gz BIDHQOZLMPFOEV-UHFFFAOYSA-N 0 0 302.201 3.478 20 10 DGCDRN C[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccc(F)c(F)c1[O-] ZINC000187668265 432676606 /nfs/dbraw/zinc/67/66/06/432676606.db2.gz SLWAMUIRHJUYQT-XPTSAGLGSA-N 0 0 311.303 3.194 20 10 DGCDRN CCOC1CC(CC[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])C1 ZINC000276709339 432824328 /nfs/dbraw/zinc/82/43/28/432824328.db2.gz WMVJFIYLNWQFJH-DNOWBOINSA-N 0 0 321.417 3.035 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000276904120 432827476 /nfs/dbraw/zinc/82/74/76/432827476.db2.gz JMNAULHAZZTKPP-OCCSQVGLSA-N 0 0 321.367 3.315 20 10 DGCDRN CCC(C)(C)CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277252922 432831391 /nfs/dbraw/zinc/83/13/91/432831391.db2.gz ICZDEWLLSYWXLP-UHFFFAOYSA-N 0 0 324.808 3.246 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC[C@@H]1CCOC1 ZINC000267519392 432834618 /nfs/dbraw/zinc/83/46/18/432834618.db2.gz FREZVXZRGNQCPE-QGZVFWFLSA-N 0 0 318.461 3.306 20 10 DGCDRN COc1ccc([C@H]2CCCN2C(=O)Cc2ccc(N)cc2)cc1 ZINC000237372811 432785691 /nfs/dbraw/zinc/78/56/91/432785691.db2.gz QVQPCMFXYKPXAM-GOSISDBHSA-N 0 0 310.397 3.184 20 10 DGCDRN CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000276277839 432790862 /nfs/dbraw/zinc/79/08/62/432790862.db2.gz YWXMMMPSFKBNCK-ZDUSSCGKSA-N 0 0 317.307 3.284 20 10 DGCDRN CC[C@@H]1CC[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)O1 ZINC000268328168 432864216 /nfs/dbraw/zinc/86/42/16/432864216.db2.gz MNEJWQSOZTVIGS-QZTJIDSGSA-N 0 0 316.445 3.201 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000278332568 432891658 /nfs/dbraw/zinc/89/16/58/432891658.db2.gz WNZYDVOJKAGDLS-FWOIEVBISA-N 0 0 318.122 3.273 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)C1CCC(C(F)(F)F)CC1 ZINC000278362684 432892320 /nfs/dbraw/zinc/89/23/20/432892320.db2.gz HPGXEJISIZLHQU-UHFFFAOYSA-N 0 0 317.307 3.083 20 10 DGCDRN O=C(CCC1CCC1)NCc1cccc(Br)c1O ZINC000277425140 432849597 /nfs/dbraw/zinc/84/95/97/432849597.db2.gz DFUVIRSVNXCLJU-UHFFFAOYSA-N 0 0 312.207 3.351 20 10 DGCDRN CCOc1ccc(O)c(CN[C@H](C)c2nnc([C@H](C)CC)[nH]2)c1 ZINC000277442281 432850008 /nfs/dbraw/zinc/85/00/08/432850008.db2.gz OKIIOJJHGFIRRG-VXGBXAGGSA-N 0 0 318.421 3.273 20 10 DGCDRN Cc1cc(O)c(CNCc2nnc(C(C)(C)C)s2)cc1C ZINC000268162529 432850818 /nfs/dbraw/zinc/85/08/18/432850818.db2.gz DWRFASYWJRLPCY-UHFFFAOYSA-N 0 0 305.447 3.448 20 10 DGCDRN O=C(NCc1cccc(Br)c1O)C1=CCCCC1 ZINC000277469931 432853037 /nfs/dbraw/zinc/85/30/37/432853037.db2.gz HRWUSOOXNCBHGG-UHFFFAOYSA-N 0 0 310.191 3.271 20 10 DGCDRN CC[C@@H](C)[C@@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277470771 432853950 /nfs/dbraw/zinc/85/39/50/432853950.db2.gz UVGTVHDGBXMNED-GHMZBOCLSA-N 0 0 324.808 3.244 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)CCCO)c(C)n1-c1cccc(C)c1 ZINC000268205218 432855481 /nfs/dbraw/zinc/85/54/81/432855481.db2.gz GVXUVPRKHJHQQR-CQSZACIVSA-N 0 0 314.429 3.293 20 10 DGCDRN COc1cccc(C2(C(=O)NCc3ccc(N)cc3)CCCC2)c1 ZINC000296881065 432934501 /nfs/dbraw/zinc/93/45/01/432934501.db2.gz FMJIQWCORKLNTJ-UHFFFAOYSA-N 0 0 324.424 3.406 20 10 DGCDRN Cc1cc(C(=O)NCCC[C@@H](C)O)c(C)n1-c1ccccc1C ZINC000279125447 432937367 /nfs/dbraw/zinc/93/73/67/432937367.db2.gz MMSPLWTWUHLPEZ-OAHLLOKOSA-N 0 0 314.429 3.293 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCC[C@@H](C)O ZINC000279212456 432946490 /nfs/dbraw/zinc/94/64/90/432946490.db2.gz WXERVCZSBVPRLO-CYBMUJFWSA-N 0 0 306.431 3.046 20 10 DGCDRN CCc1cncc(C(=O)N(CC)Cc2ccc(N(C)C)cc2)c1 ZINC000279252692 432949364 /nfs/dbraw/zinc/94/93/64/432949364.db2.gz PNLNEWBMRXOEGI-UHFFFAOYSA-N 0 0 311.429 3.372 20 10 DGCDRN COc1c([O-])c(C[NH2+]CCC2=CCCCC2)ccc1[N+](=O)[O-] ZINC000278939774 432920038 /nfs/dbraw/zinc/92/00/38/432920038.db2.gz XLWNMGXGIDTYMC-UHFFFAOYSA-N 0 0 306.362 3.289 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)OC1CCOCC1 ZINC000289808723 432974213 /nfs/dbraw/zinc/97/42/13/432974213.db2.gz NJLZFZUHXOHDNO-UHFFFAOYSA-N 0 0 320.433 3.279 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000289983641 432981311 /nfs/dbraw/zinc/98/13/11/432981311.db2.gz BUZCWFLOYSLESD-UHFFFAOYSA-N 0 0 317.820 3.331 20 10 DGCDRN COC1(CNC(=O)N(C)Cc2ccccc2O)CCC(C)CC1 ZINC000279767103 432991750 /nfs/dbraw/zinc/99/17/50/432991750.db2.gz JSLWKKMXHAEESZ-UHFFFAOYSA-N 0 0 320.433 3.129 20 10 DGCDRN COc1ccc(N(C)Cc2cnc([C@@H](C)O)s2)cc1Cl ZINC000290206717 433013854 /nfs/dbraw/zinc/01/38/54/433013854.db2.gz DLPWPPDTKVNSNA-SECBINFHSA-N 0 0 312.822 3.495 20 10 DGCDRN CCCOc1ccc(CNc2cccc3c2CNC3=O)c(O)c1 ZINC000290235301 433018287 /nfs/dbraw/zinc/01/82/87/433018287.db2.gz YWKJEMTZMRBWQB-UHFFFAOYSA-N 0 0 312.369 3.037 20 10 DGCDRN COc1ccc(O)c(C[NH2+][C@@H](C)CCOCc2ccccc2)c1 ZINC000290284990 433025514 /nfs/dbraw/zinc/02/55/14/433025514.db2.gz ZMMSHIBZEFRMHB-HNNXBMFYSA-N 0 0 315.413 3.486 20 10 DGCDRN COc1cc(N(C)Cc2ccnn2C(C)C)cc(OC)c1OC ZINC000280332949 433036456 /nfs/dbraw/zinc/03/64/56/433036456.db2.gz QEFCSMNZMQQCLC-UHFFFAOYSA-N 0 0 319.405 3.126 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)C[C@H](C)c1cnn(C)c1 ZINC000412314359 433150601 /nfs/dbraw/zinc/15/06/01/433150601.db2.gz WSACNYWBFFNOHC-ZDUSSCGKSA-N 0 0 324.428 3.030 20 10 DGCDRN COc1ccc(N2CCC(N[C@@H](C)C(F)(F)F)CC2)cc1 ZINC000373785565 433161726 /nfs/dbraw/zinc/16/17/26/433161726.db2.gz FOWULCJAUSJDAZ-NSHDSACASA-N 0 0 302.340 3.204 20 10 DGCDRN CC[C@@H]1C[C@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000280784592 433173576 /nfs/dbraw/zinc/17/35/76/433173576.db2.gz OBYUWZMGYMTGGP-RHSMWYFYSA-N 0 0 301.434 3.225 20 10 DGCDRN Cc1cc(O)c(CN[C@@H](C)c2noc(COC(C)C)n2)cc1C ZINC000291035667 433217294 /nfs/dbraw/zinc/21/72/94/433217294.db2.gz YTQHNFWNPILDKB-ZDUSSCGKSA-N 0 0 319.405 3.168 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC23CCC(CC2)C3)cc1F ZINC000374951302 433317321 /nfs/dbraw/zinc/31/73/21/433317321.db2.gz KGNWYAXOZTUSRR-UHFFFAOYSA-N 0 0 305.397 3.024 20 10 DGCDRN CSCCCN(C)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000281184629 433272177 /nfs/dbraw/zinc/27/21/77/433272177.db2.gz CIDVQGYRYUJFJW-UHFFFAOYSA-N 0 0 317.458 3.314 20 10 DGCDRN Cc1cscc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000281257427 433273274 /nfs/dbraw/zinc/27/32/74/433273274.db2.gz FMIRCCBDILRNAW-SNVBAGLBSA-N 0 0 306.387 3.220 20 10 DGCDRN COc1ccc(N2CCC(Nc3cc(C)nc(C)n3)CC2)cc1 ZINC000301178226 433444031 /nfs/dbraw/zinc/44/40/31/433444031.db2.gz MDSLALQGLYLXGA-UHFFFAOYSA-N 0 0 312.417 3.183 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OCC(=O)NC3CCCC3)cc12 ZINC000421196172 433457127 /nfs/dbraw/zinc/45/71/27/433457127.db2.gz IZMZFNHIIJOLIG-UHFFFAOYSA-N 0 0 300.402 3.233 20 10 DGCDRN CCN(CC)c1ccc(CN[C@@H](C)c2cc(C)n(C)n2)cc1 ZINC000282062853 433482040 /nfs/dbraw/zinc/48/20/40/433482040.db2.gz GVAZUODFIFRAIH-HNNXBMFYSA-N 0 0 300.450 3.426 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)C(C)(F)F ZINC000454878522 433529685 /nfs/dbraw/zinc/52/96/85/433529685.db2.gz SWCONEXIRMJDQC-NSHDSACASA-N 0 0 309.360 3.330 20 10 DGCDRN C[C@H]1CCC[C@@H](C(=O)N2CCOc3cc(N(C)C)ccc32)C1 ZINC000173200480 290469044 /nfs/dbraw/zinc/46/90/44/290469044.db2.gz VEPMNRUVGSJKHP-UONOGXRCSA-N 0 0 302.418 3.304 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cncc(F)c1 ZINC000282526140 433615216 /nfs/dbraw/zinc/61/52/16/433615216.db2.gz QALGEKIEPFDLPP-UHFFFAOYSA-N 0 0 302.349 3.369 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)CC1(OC)CCC1 ZINC000282615915 433619544 /nfs/dbraw/zinc/61/95/44/433619544.db2.gz ZIRRIAWJHYVLHR-UHFFFAOYSA-N 0 0 305.418 3.480 20 10 DGCDRN CN(C)c1ccc(CNc2nc(N)c3ccccc3n2)cc1F ZINC000301796600 433727160 /nfs/dbraw/zinc/72/71/60/433727160.db2.gz AKXCUDCRSRTRHJ-UHFFFAOYSA-N 0 0 311.364 3.029 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000301786489 433723728 /nfs/dbraw/zinc/72/37/28/433723728.db2.gz VIRUJNRZMGYYMW-UHFFFAOYSA-N 0 0 300.362 3.082 20 10 DGCDRN COc1cccc(CNc2ccc(Br)c(C)n2)c1O ZINC000302102308 433813221 /nfs/dbraw/zinc/81/32/21/433813221.db2.gz VOCPWTDMFOFULR-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN C[C@@H](Nc1ncc(C(N)=O)cc1Cl)c1ccc(N(C)C)cc1 ZINC000302361809 433821813 /nfs/dbraw/zinc/82/18/13/433821813.db2.gz FRFLOZHGWYWKQV-SNVBAGLBSA-N 0 0 318.808 3.073 20 10 DGCDRN C[C@H](C(=O)NCc1ccccc1O)[C@H]1OCCc2sccc21 ZINC000293675146 433826523 /nfs/dbraw/zinc/82/65/23/433826523.db2.gz KJUXENIBWBQVPY-MEDUHNTESA-N 0 0 317.410 3.020 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2cc(C)on2)c1O ZINC000362847823 433883343 /nfs/dbraw/zinc/88/33/43/433883343.db2.gz QPIIZVNIXPASTB-INIZCTEOSA-N 0 0 318.348 3.367 20 10 DGCDRN O=C(NCc1ccccc1O)NC[C@H](c1ccccc1)C1CC1 ZINC000294077976 433985969 /nfs/dbraw/zinc/98/59/69/433985969.db2.gz CFMUNTAVLSCFDF-QGZVFWFLSA-N 0 0 310.397 3.385 20 10 DGCDRN CN(C)c1ccc(CN2CC(C)(C)[C@H]2c2nccn2C)cc1F ZINC000294706788 434127074 /nfs/dbraw/zinc/12/70/74/434127074.db2.gz DJBSFYQVUBBLJL-MRXNPFEDSA-N 0 0 316.424 3.208 20 10 DGCDRN C[C@@H](C(=O)NCc1cccc(Br)c1O)C(C)(F)F ZINC000295232205 434267235 /nfs/dbraw/zinc/26/72/35/434267235.db2.gz CYDOUJJDNNAOPC-ZETCQYMHSA-N 0 0 322.149 3.062 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1nccs1 ZINC000348446211 434325281 /nfs/dbraw/zinc/32/52/81/434325281.db2.gz HEELEPFJQGWNOE-UHFFFAOYSA-N 0 0 300.387 3.265 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNc1nccnc1C(F)F ZINC000340936994 434442774 /nfs/dbraw/zinc/44/27/74/434442774.db2.gz XQKMKSVJNZYDHL-UHFFFAOYSA-N 0 0 302.328 3.826 20 10 DGCDRN Cc1cc(C(=O)NCC[C@@H](C)CCO)c(C)n1-c1ccccc1 ZINC000295639440 434427098 /nfs/dbraw/zinc/42/70/98/434427098.db2.gz TXWCTQFBABYZRT-CQSZACIVSA-N 0 0 314.429 3.233 20 10 DGCDRN O=C(c1c(F)ccc(O)c1O)N1CCC(c2ccsc2)CC1 ZINC000295693184 434432949 /nfs/dbraw/zinc/43/29/49/434432949.db2.gz INGJXUMUZNROOC-UHFFFAOYSA-N 0 0 321.373 3.318 20 10 DGCDRN Cn1cc(NC(=O)c2cccc(O)c2O)c(C2CCCCC2)n1 ZINC000295874253 434440571 /nfs/dbraw/zinc/44/05/71/434440571.db2.gz VBNWNGIKSKKELG-UHFFFAOYSA-N 0 0 315.373 3.131 20 10 DGCDRN COC(=O)c1cnc(SC[C@H](O)c2ccc(C)cc2)s1 ZINC000295983244 434463047 /nfs/dbraw/zinc/46/30/47/434463047.db2.gz KGXHVIAWZDLIHQ-NSHDSACASA-N 0 0 309.412 3.064 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@]12CCOC2 ZINC000367047490 434535902 /nfs/dbraw/zinc/53/59/02/434535902.db2.gz JWDIECWFONOARZ-CQSZACIVSA-N 0 0 302.201 3.454 20 10 DGCDRN COc1ccc(O)c([C@@H](C)N[C@@H]2COc3cc(F)cc(F)c32)c1 ZINC000368211265 434568441 /nfs/dbraw/zinc/56/84/41/434568441.db2.gz CUSGEGWBHBEPNB-YMTOWFKASA-N 0 0 321.323 3.463 20 10 DGCDRN Nc1ccc(CNC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)cc1 ZINC000228391671 295352491 /nfs/dbraw/zinc/35/24/91/295352491.db2.gz VAYTXDYJYXOGJR-QWHCGFSZSA-N 0 0 300.324 3.254 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1cc(F)ccc1O ZINC000371869752 434763661 /nfs/dbraw/zinc/76/36/61/434763661.db2.gz KEVJZJSOSWXRIO-SGTLLEGYSA-N 0 0 301.361 3.496 20 10 DGCDRN CCOc1cccc(CN2CCCC[C@@H]2c2noc(C)n2)c1O ZINC000372838962 434857744 /nfs/dbraw/zinc/85/77/44/434857744.db2.gz RHUNUIMZAIMUPI-CQSZACIVSA-N 0 0 317.389 3.210 20 10 DGCDRN COc1cc(OC)cc(N(C)C(=O)/C=C/c2cnccc2C)c1 ZINC000492030492 434902646 /nfs/dbraw/zinc/90/26/46/434902646.db2.gz JJTGUXJVGFUIIK-AATRIKPKSA-N 0 0 312.369 3.083 20 10 DGCDRN Cc1ccncc1N(C)C(=O)/C=C\c1ccccc1-n1cccn1 ZINC000492048872 434904915 /nfs/dbraw/zinc/90/49/15/434904915.db2.gz SESHAJQIRVXOBA-HJWRWDBZSA-N 0 0 318.380 3.252 20 10 DGCDRN CCn1nncc1C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000527918861 435016967 /nfs/dbraw/zinc/01/69/67/435016967.db2.gz FERLAAWUBVTELD-QMMMGPOBSA-N 0 0 315.204 3.161 20 10 DGCDRN CC[C@H]([NH2+][C@H]1Cc2ccccc2NC1=O)c1ccc(F)cc1[O-] ZINC000527997624 435019040 /nfs/dbraw/zinc/01/90/40/435019040.db2.gz JBWYABWKRBQIJK-HOCLYGCPSA-N 0 0 314.360 3.135 20 10 DGCDRN Cc1ccc(/C=C/C(=O)N(CC(F)(F)F)c2ccccn2)cn1 ZINC000492473806 434990124 /nfs/dbraw/zinc/99/01/24/434990124.db2.gz NMHHIWZLZARBAB-BQYQJAHWSA-N 0 0 321.302 3.394 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCCCC[C@@H]1c1ccncc1 ZINC000188192668 304548924 /nfs/dbraw/zinc/54/89/24/304548924.db2.gz IKLUVTZKNNDFIS-OAHLLOKOSA-N 0 0 312.369 3.250 20 10 DGCDRN O=C(C=Cc1c[nH]cn1)N1CCCc2c(OC(F)F)cccc21 ZINC000493189371 435122597 /nfs/dbraw/zinc/12/25/97/435122597.db2.gz MDHWPNDEGHRLLG-SREVYHEPSA-N 0 0 319.311 3.004 20 10 DGCDRN Cn1ccc(/C=C/C(=O)N(Cc2ncc[nH]2)c2cccc(F)c2)c1 ZINC000493387508 435161360 /nfs/dbraw/zinc/16/13/60/435161360.db2.gz MNWQPFZUQFMNHL-AATRIKPKSA-N 0 0 324.359 3.134 20 10 DGCDRN CCN(C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])c1cccnc1 ZINC000491530525 435765755 /nfs/dbraw/zinc/76/57/55/435765755.db2.gz BVETUJUSPLNTSL-VURMDHGXSA-N 0 0 315.304 3.195 20 10 DGCDRN CC(C)OC[C@@H](O)COc1ccc2c(c1)c1c(n2C)CCCC1 ZINC000647164260 435957012 /nfs/dbraw/zinc/95/70/12/435957012.db2.gz NOQOGAOINQXHFE-CQSZACIVSA-N 0 0 317.429 3.222 20 10 DGCDRN CN(C(=O)/C=C/c1ccc(Cl)nc1)c1ccc(Cl)cn1 ZINC000089765009 332076774 /nfs/dbraw/zinc/07/67/74/332076774.db2.gz SDGAEJWENYWWDN-XVNBXDOJSA-N 0 0 308.168 3.460 20 10 DGCDRN C[C@@](O)(C[NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccsc1 ZINC000293591028 335109859 /nfs/dbraw/zinc/10/98/59/335109859.db2.gz KKYPYGRQDWFISM-CQSZACIVSA-N 0 0 315.797 3.244 20 10 DGCDRN CN(C)c1ccc(CN(Cc2ccco2)Cc2cncn2C)cc1 ZINC000289872879 334169154 /nfs/dbraw/zinc/16/91/54/334169154.db2.gz RJYJVHSICNSOBN-UHFFFAOYSA-N 0 0 324.428 3.282 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCC(C)(F)F ZINC000297705308 334243277 /nfs/dbraw/zinc/24/32/77/334243277.db2.gz RLNOPYDWVQGNGC-UHFFFAOYSA-N 0 0 313.392 3.329 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)N1C[C@@H]2CCCN2c2ccccc21 ZINC000492524837 339903018 /nfs/dbraw/zinc/90/30/18/339903018.db2.gz ABNSZEAEKYGMME-IJDCCNJMSA-N 0 0 319.408 3.419 20 10 DGCDRN O=C(C=Cc1cncc(F)c1)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000184365824 340492358 /nfs/dbraw/zinc/49/23/58/340492358.db2.gz XAVUPNLKJOZRNV-LVDDQXARSA-N 0 0 322.339 3.341 20 10 DGCDRN Cc1ncsc1/C=C/C(=O)N(C)c1ccccc1N(C)C ZINC000186871951 340516546 /nfs/dbraw/zinc/51/65/46/340516546.db2.gz OMTALAZMCIHQRE-MDZDMXLPSA-N 0 0 301.415 3.194 20 10 DGCDRN C[C@@H]1[C@@H](C(=O)NCc2cc(Br)ccc2O)[C@@H]1C1CC1 ZINC000529391531 340753826 /nfs/dbraw/zinc/75/38/26/340753826.db2.gz ZYSWRIWNUASDHS-ULCPSODYSA-N 0 0 324.218 3.063 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H](C)OCC(C)C ZINC000548100235 341247315 /nfs/dbraw/zinc/24/73/15/341247315.db2.gz DZMICNBCNNZQHE-AWEZNQCLSA-N 0 0 302.418 3.164 20 10 DGCDRN C[C@@H]1C[C@H](c2cccnc2)N(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000184768973 534002602 /nfs/dbraw/zinc/00/26/02/534002602.db2.gz UEYZXSBWAZRAHW-MOCUHTECSA-N 0 0 324.380 3.116 20 10 DGCDRN Cc1ccc(O)c(CNc2nnc([C@@H]3Cc4ccccc4O3)o2)c1 ZINC000181753484 534198211 /nfs/dbraw/zinc/19/82/11/534198211.db2.gz PIOXMLDOLUMWDR-INIZCTEOSA-N 0 0 323.352 3.372 20 10 DGCDRN Cc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1C ZINC000173194459 534261986 /nfs/dbraw/zinc/26/19/86/534261986.db2.gz YFRMKRFRVLTMAC-UHFFFAOYSA-N 0 0 310.397 3.409 20 10 DGCDRN C/C=C(\C)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000267514614 518481065 /nfs/dbraw/zinc/48/10/65/518481065.db2.gz LILADKPFSCNVEN-IQXODGKNSA-N 0 0 316.445 3.226 20 10 DGCDRN CC(C)(C)Oc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000182545977 518890816 /nfs/dbraw/zinc/89/08/16/518890816.db2.gz MRVLCHDGTNUTPX-UHFFFAOYSA-N 0 0 315.369 3.205 20 10 DGCDRN CC(C)N(C(=O)COc1ccc(N2CCCC2)cc1)C(C)C ZINC000178197153 519560121 /nfs/dbraw/zinc/56/01/21/519560121.db2.gz OPUKNUQWVQGHSD-UHFFFAOYSA-N 0 0 304.434 3.311 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCSC1 ZINC000266836795 519655103 /nfs/dbraw/zinc/65/51/03/519655103.db2.gz VRPGEIDOSAVTSE-HNNXBMFYSA-N 0 0 321.490 3.178 20 10 DGCDRN CC(C)OCCCCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000181940205 519759144 /nfs/dbraw/zinc/75/91/44/519759144.db2.gz VUYQDFCIGMXUEU-UHFFFAOYSA-N 0 0 321.465 3.099 20 10 DGCDRN CCCOc1ccc(CNc2nnc(-c3ccco3)o2)c(O)c1 ZINC000181486266 520377633 /nfs/dbraw/zinc/37/76/33/520377633.db2.gz KSIUJUZZLLPUPO-UHFFFAOYSA-N 0 0 315.329 3.436 20 10 DGCDRN CCN(CC)c1ccc(CN[C@H](C)c2cnccn2)cc1F ZINC000158706441 520910146 /nfs/dbraw/zinc/91/01/46/520910146.db2.gz TYCAEQFKDMCOLA-CYBMUJFWSA-N 0 0 302.397 3.313 20 10 DGCDRN CCN(CC)c1ccc(CNc2nnc([C@H]3CCCO3)o2)cc1 ZINC000181802726 520912334 /nfs/dbraw/zinc/91/23/34/520912334.db2.gz VCFVRUIOTYCCBD-OAHLLOKOSA-N 0 0 316.405 3.379 20 10 DGCDRN CCOc1ccc(O)c(CNCc2csc([C@@H](C)OC)n2)c1 ZINC000267672949 521153764 /nfs/dbraw/zinc/15/37/64/521153764.db2.gz ZQKKMDOBGAXQAA-LLVKDONJSA-N 0 0 322.430 3.245 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1=C(C)OCCC1 ZINC000270022757 521318537 /nfs/dbraw/zinc/31/85/37/521318537.db2.gz FUHYBZMYFPSBSK-UHFFFAOYSA-N 0 0 302.418 3.186 20 10 DGCDRN CCOc1cccc(CNCc2csc([C@H](C)OC)n2)c1O ZINC000267617847 521368389 /nfs/dbraw/zinc/36/83/89/521368389.db2.gz JYFTZXRFOYZXAR-NSHDSACASA-N 0 0 322.430 3.245 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccn(C(C)C)n1 ZINC000265096161 521689682 /nfs/dbraw/zinc/68/96/82/521689682.db2.gz VPYSLUQAIYMOKQ-UHFFFAOYSA-N 0 0 301.390 3.222 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000264163954 521689892 /nfs/dbraw/zinc/68/98/92/521689892.db2.gz YUGQLCADZDTNAX-UHFFFAOYSA-N 0 0 320.370 3.414 20 10 DGCDRN CCSCCCNC(=O)NCc1c(C)c2ccccc2n1C ZINC000336934972 521700262 /nfs/dbraw/zinc/70/02/62/521700262.db2.gz CXDBTDBSDYXFOC-UHFFFAOYSA-N 0 0 319.474 3.429 20 10 DGCDRN Cc1cccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1C ZINC000173194423 534595477 /nfs/dbraw/zinc/59/54/77/534595477.db2.gz CCCXCDXYTJOVMP-UHFFFAOYSA-N 0 0 310.397 3.409 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)c2ccncc2F)C2CC2)cc1 ZINC000265875527 522162748 /nfs/dbraw/zinc/16/27/48/522162748.db2.gz RRBAGCCHNLUMOO-UHFFFAOYSA-N 0 0 313.376 3.092 20 10 DGCDRN CC[C@@H](C)n1ncc(C(=O)NCc2ccccc2O)c1C1CC1 ZINC000270463542 522455562 /nfs/dbraw/zinc/45/55/62/522455562.db2.gz GAWCTHMAAMQPEX-GFCCVEGCSA-N 0 0 313.401 3.367 20 10 DGCDRN COc1cc(N(C)Cc2cnn(C(C)C)c2)cc(OC)c1OC ZINC000180758644 522621608 /nfs/dbraw/zinc/62/16/08/522621608.db2.gz MPCFVORYNONNJG-UHFFFAOYSA-N 0 0 319.405 3.126 20 10 DGCDRN CCc1noc(C)c1CN1CCOc2cc(N(C)C)ccc21 ZINC000163191452 522838814 /nfs/dbraw/zinc/83/88/14/522838814.db2.gz GBLWVYVGPBMCSK-UHFFFAOYSA-N 0 0 301.390 3.010 20 10 DGCDRN COC(=O)[C@@H](NCc1cccc(C)c1O)c1cc(C)cc(C)c1 ZINC000189623716 523633373 /nfs/dbraw/zinc/63/33/73/523633373.db2.gz CTCDYEBHGHMKLH-KRWDZBQOSA-N 0 0 313.397 3.321 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCCO[C@@H](C)C1 ZINC000171009792 524218656 /nfs/dbraw/zinc/21/86/56/524218656.db2.gz GCKHZXJNQPCPNJ-AWEZNQCLSA-N 0 0 318.442 3.407 20 10 DGCDRN C[C@H](CCOc1ccccc1)C(=O)NCCc1ccc(N)cc1 ZINC000152576138 524220975 /nfs/dbraw/zinc/22/09/75/524220975.db2.gz VCUHAOMYTWDHLJ-OAHLLOKOSA-N 0 0 312.413 3.033 20 10 DGCDRN C[C@H](CCc1cccc(F)c1)C(=O)NCc1ccc(O)c(O)c1 ZINC000158996155 524237049 /nfs/dbraw/zinc/23/70/49/524237049.db2.gz XBQVJGXWYHYAIY-GFCCVEGCSA-N 0 0 317.360 3.122 20 10 DGCDRN Cc1cccc(C)c1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000190920867 524293480 /nfs/dbraw/zinc/29/34/80/524293480.db2.gz GDXYBBMIPKPOQC-CYBMUJFWSA-N 0 0 314.385 3.467 20 10 DGCDRN Cc1cc(C)c2c(c1)CN(C(=O)/C=C/c1ccc(O)c(O)c1)CC2 ZINC000189246562 524343755 /nfs/dbraw/zinc/34/37/55/524343755.db2.gz NDHOYMOBPGEAIU-GQCTYLIASA-N 0 0 323.392 3.313 20 10 DGCDRN COc1ccc(N(C)C[C@@H](O)c2ccc(F)cc2F)c(OC)c1 ZINC000131665811 524352350 /nfs/dbraw/zinc/35/23/50/524352350.db2.gz BMOPHDADFXJPSP-MRXNPFEDSA-N 0 0 323.339 3.152 20 10 DGCDRN COc1ccc(N(Cc2ccco2)Cc2nonc2C)cc1F ZINC000265739346 524369099 /nfs/dbraw/zinc/36/90/99/524369099.db2.gz BSOHJYULTFESHP-UHFFFAOYSA-N 0 0 317.320 3.326 20 10 DGCDRN C[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C(C)(C)C1 ZINC000266979169 524501625 /nfs/dbraw/zinc/50/16/25/524501625.db2.gz RWEAPKKBXFKFPO-OAHLLOKOSA-N 0 0 313.445 3.393 20 10 DGCDRN Cc1ccc(C[C@@H]2CCCN2C(=O)Cc2ccc(N)cc2)cc1 ZINC000237824730 524669109 /nfs/dbraw/zinc/66/91/09/524669109.db2.gz RFBFSRYOHRQHLL-IBGZPJMESA-N 0 0 308.425 3.353 20 10 DGCDRN COc1ccc(O)c(CNc2ccc(NC(=O)C3CC3)cc2)c1 ZINC000237363664 524756842 /nfs/dbraw/zinc/75/68/42/524756842.db2.gz UWRHUTAXBWLABD-UHFFFAOYSA-N 0 0 312.369 3.361 20 10 DGCDRN Cc1n[nH]c(C)c1[C@H](C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000352136250 534844903 /nfs/dbraw/zinc/84/49/03/534844903.db2.gz XAZFMBZDDKOTMM-LBPRGKRZSA-N 0 0 324.428 3.247 20 10 DGCDRN CSC1(C[NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000193658561 525334260 /nfs/dbraw/zinc/33/42/60/525334260.db2.gz YABSOZZEQFSUBN-UHFFFAOYSA-N 0 0 302.237 3.140 20 10 DGCDRN COc1cccc(CNC(=O)C2(c3ccccc3)CCC2)c1O ZINC000175258466 525964372 /nfs/dbraw/zinc/96/43/72/525964372.db2.gz PRFWCRKFQLCNNS-UHFFFAOYSA-N 0 0 311.381 3.139 20 10 DGCDRN CCC(CC)(CCO)C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273586239 534917664 /nfs/dbraw/zinc/91/76/64/534917664.db2.gz NXUGWBHMOQKFGG-ZDUSSCGKSA-N 0 0 323.433 3.018 20 10 DGCDRN Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(N)cc1 ZINC000160411000 526271756 /nfs/dbraw/zinc/27/17/56/526271756.db2.gz WZKOXQOXBBYOGK-UHFFFAOYSA-N 0 0 314.433 3.309 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000159084819 526686761 /nfs/dbraw/zinc/68/67/61/526686761.db2.gz RVJOAYFPQIGRIP-WDEREUQCSA-N 0 0 317.307 3.083 20 10 DGCDRN O=C(NCc1ccccc1O)[C@H]1SCCc2sccc21 ZINC000266500993 526755011 /nfs/dbraw/zinc/75/50/11/526755011.db2.gz GCGTVIIIOAPYAO-AWEZNQCLSA-N 0 0 305.424 3.101 20 10 DGCDRN CC(C)(C)c1ccc(C(=O)NCCc2ccc(O)c(O)c2)s1 ZINC000122793163 526766186 /nfs/dbraw/zinc/76/61/86/526766186.db2.gz WWUDDQHUTFWRQR-UHFFFAOYSA-N 0 0 319.426 3.429 20 10 DGCDRN Cc1ncc(/C=C/C(=O)N(C)c2ccccc2N(C)C)s1 ZINC000153129118 527220553 /nfs/dbraw/zinc/22/05/53/527220553.db2.gz ZGNMAWJWKZLVQN-MDZDMXLPSA-N 0 0 301.415 3.194 20 10 DGCDRN Nc1ccc(CC(=O)Nc2c(F)cccc2N2CCCC2)cc1 ZINC000237916574 527478319 /nfs/dbraw/zinc/47/83/19/527478319.db2.gz SUTJBEXYMFEMFR-UHFFFAOYSA-N 0 0 313.376 3.189 20 10 DGCDRN Nc1ccc(CCNC(=O)CCc2ccc(Cl)s2)cc1 ZINC000238124715 527479403 /nfs/dbraw/zinc/47/94/03/527479403.db2.gz AKMSTMMDVMTSJA-UHFFFAOYSA-N 0 0 308.834 3.275 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H]1Cc1ccccc1 ZINC000180616931 527614283 /nfs/dbraw/zinc/61/42/83/527614283.db2.gz OZAWMFWDQPVFHE-KAMXEHQASA-N 0 0 323.392 3.345 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](Cc1ccccc1)C1CC1 ZINC000180797380 527615931 /nfs/dbraw/zinc/61/59/31/527615931.db2.gz OWBAEHYBEUXPJW-VDZSZVPASA-N 0 0 323.392 3.249 20 10 DGCDRN CC[C@H](C)[C@H](C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000183257198 529234221 /nfs/dbraw/zinc/23/42/21/529234221.db2.gz SRGIHZBUSMVFPD-HOTGVXAUSA-N 0 0 318.461 3.416 20 10 DGCDRN CCN(C(=O)/C=C/c1cncc(F)c1)c1cccc(OC)c1 ZINC000491518327 535655442 /nfs/dbraw/zinc/65/54/42/535655442.db2.gz BRWAIAHUYKGNLY-BQYQJAHWSA-N 0 0 300.333 3.296 20 10 DGCDRN CC[C@@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1ccc(F)cc1[O-] ZINC000286136386 535802844 /nfs/dbraw/zinc/80/28/44/535802844.db2.gz OSJHWHUFNLNCAK-OAHLLOKOSA-N 0 0 322.424 3.221 20 10 DGCDRN CC[C@H]([NH2+]Cc1cccc(C(=O)NC)c1)c1ccc(F)cc1[O-] ZINC000286272595 535917919 /nfs/dbraw/zinc/91/79/19/535917919.db2.gz VKDNANPSKDEJNG-INIZCTEOSA-N 0 0 316.376 3.132 20 10 DGCDRN CN(C(=O)/C=C/c1cncs1)c1ccc(-c2ccccc2)nn1 ZINC000493048189 535938504 /nfs/dbraw/zinc/93/85/04/535938504.db2.gz CWNSCGHQMYXTIP-JXMROGBWSA-N 0 0 322.393 3.276 20 10 DGCDRN C[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H]1C ZINC000267790624 546347902 /nfs/dbraw/zinc/34/79/02/546347902.db2.gz VDSYQJOMGFIXJC-GASCZTMLSA-N 0 0 301.434 3.084 20 10 DGCDRN COc1cc(C)c(C[N@@H+]2CCS[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001658908710 1196317989 /nfs/dbraw/zinc/31/79/89/1196317989.db2.gz LZVMUTZGHZEYMP-CYBMUJFWSA-N 0 0 321.364 3.189 20 10 DGCDRN CCOC(=O)N(C)c1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000731870765 574560751 /nfs/dbraw/zinc/56/07/51/574560751.db2.gz WNIITTYBXLJPFU-UHFFFAOYSA-N 0 0 320.370 3.299 20 10 DGCDRN CC(C)C(=O)Nc1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC000731868838 574561410 /nfs/dbraw/zinc/56/14/10/574561410.db2.gz ZIPXQOCBEAKHHM-UHFFFAOYSA-N 0 0 304.371 3.301 20 10 DGCDRN O=C(OCc1ncc(-c2ccccc2)o1)C1=CC(=O)CS1 ZINC000731911504 574561770 /nfs/dbraw/zinc/56/17/70/574561770.db2.gz KGRJTURAKNYCGD-UHFFFAOYSA-N 0 0 301.323 3.466 20 10 DGCDRN CCN(CC(=O)NCc1cccc(C)c1)c1ccc(OC)cc1 ZINC000732199044 574568538 /nfs/dbraw/zinc/56/85/38/574568538.db2.gz DBJIFBUCYIANFU-UHFFFAOYSA-N 0 0 312.413 3.146 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CC[C@@H](c3ccco3)C2)cc1 ZINC000732233464 574569364 /nfs/dbraw/zinc/56/93/64/574569364.db2.gz QYINACOQILWYAN-OAHLLOKOSA-N 0 0 313.401 3.045 20 10 DGCDRN CCOCCOCc1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC000732273382 574569944 /nfs/dbraw/zinc/56/99/44/574569944.db2.gz TWRKDAZYJYZYQW-UHFFFAOYSA-N 0 0 321.398 3.259 20 10 DGCDRN CCc1cccc2c1OCC[C@@H]2NC(=O)C1=CC(=O)CS1 ZINC000732282833 574570477 /nfs/dbraw/zinc/57/04/77/574570477.db2.gz VQIMKZCRAJZDNG-ZDUSSCGKSA-N 0 0 303.383 3.270 20 10 DGCDRN O=C(Nc1ccnn1CCc1ccccc1)C1=CC(=O)CS1 ZINC000732281407 574570528 /nfs/dbraw/zinc/57/05/28/574570528.db2.gz FYXINDWXIMKZPA-UHFFFAOYSA-N 0 0 313.382 3.145 20 10 DGCDRN COCCN(CCCc1ccccc1)C(=O)C1=CC(=O)CS1 ZINC000732278722 574570589 /nfs/dbraw/zinc/57/05/89/574570589.db2.gz UCOKFEDWMDDVII-UHFFFAOYSA-N 0 0 319.426 3.175 20 10 DGCDRN O=C(OCc1csc(-c2ccccn2)n1)C1=CC(=O)CS1 ZINC000732353042 574572066 /nfs/dbraw/zinc/57/20/66/574572066.db2.gz KQRHICOXBIPOKA-UHFFFAOYSA-N 0 0 318.379 3.329 20 10 DGCDRN Cc1ncc(/C=C\C(=O)N(C)c2ccc(N(C)C)cc2)s1 ZINC000732738491 574581156 /nfs/dbraw/zinc/58/11/56/574581156.db2.gz SOJAEWSMPZCQFM-KTKRTIGZSA-N 0 0 301.415 3.194 20 10 DGCDRN C[C@H]1CCC[C@H](OCC(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000732936196 574588655 /nfs/dbraw/zinc/58/86/55/574588655.db2.gz SJZBVADWGKKVQU-ZFWWWQNUSA-N 0 0 322.424 3.103 20 10 DGCDRN CC[C@H](OC1CCCC1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000733100292 574597500 /nfs/dbraw/zinc/59/75/00/574597500.db2.gz TYACUPCNUDCPIK-KRWDZBQOSA-N 0 0 322.424 3.246 20 10 DGCDRN c1cc(N2CCCC2)nc(NCc2ccc(N3CCCC3)cc2)n1 ZINC000733187266 574605782 /nfs/dbraw/zinc/60/57/82/574605782.db2.gz OMVFLKHYZPQPBX-UHFFFAOYSA-N 0 0 323.444 3.289 20 10 DGCDRN Cc1ccc2nc(CNCc3c(O)cccc3Cl)cn2c1 ZINC000733326954 574616371 /nfs/dbraw/zinc/61/63/71/574616371.db2.gz IWEZDKSJEAXRNJ-UHFFFAOYSA-N 0 0 301.777 3.292 20 10 DGCDRN Cc1cc(C(=O)OCCCCO)c(C)n1-c1ccccc1C ZINC000733372007 574618195 /nfs/dbraw/zinc/61/81/95/574618195.db2.gz AAWVHIWHOXCYNL-UHFFFAOYSA-N 0 0 301.386 3.332 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCC1(O)CCCC1 ZINC000733977557 574645529 /nfs/dbraw/zinc/64/55/29/574645529.db2.gz HHTPAOAMPUFAOG-UHFFFAOYSA-N 0 0 318.442 3.191 20 10 DGCDRN CC[C@H]1CCCC[C@H]1NC(=O)NCc1cc(OC)ccc1O ZINC000734066465 574649619 /nfs/dbraw/zinc/64/96/19/574649619.db2.gz OQKCAFUXCKFRTA-SWLSCSKDSA-N 0 0 306.406 3.169 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cc2ccccc2n1C ZINC000734406562 574659957 /nfs/dbraw/zinc/65/99/57/574659957.db2.gz VKVWHFHYJCAPRN-UHFFFAOYSA-N 0 0 321.424 3.483 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1scnc1Cl ZINC000734406606 574660045 /nfs/dbraw/zinc/66/00/45/574660045.db2.gz XZOWVEUQPIUCOM-UHFFFAOYSA-N 0 0 309.822 3.101 20 10 DGCDRN CC[C@@H]1COCCN1C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000734415498 574660153 /nfs/dbraw/zinc/66/01/53/574660153.db2.gz OEURCUAXOJAXHT-QGZVFWFLSA-N 0 0 312.413 3.345 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1cc(C(C)C)nc2ncnn21 ZINC000734484130 574662223 /nfs/dbraw/zinc/66/22/23/574662223.db2.gz XXPYHNPBOAXXGI-UHFFFAOYSA-N 0 0 324.432 3.234 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCC1(C)CCCC1 ZINC000734530212 574666852 /nfs/dbraw/zinc/66/68/52/574666852.db2.gz UODBRBIITKQDPK-UHFFFAOYSA-N 0 0 303.450 3.441 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCC1CCSCC1 ZINC000734670010 574672715 /nfs/dbraw/zinc/67/27/15/574672715.db2.gz DBSYDQXYXAVEGB-UHFFFAOYSA-N 0 0 321.490 3.003 20 10 DGCDRN CCN(CC)c1ccc(CNc2nc(C)cc(OC)n2)cc1 ZINC000735487415 574703595 /nfs/dbraw/zinc/70/35/95/574703595.db2.gz XMZRIJADVKERQC-UHFFFAOYSA-N 0 0 300.406 3.252 20 10 DGCDRN Fc1cccc(F)c1NNC(=S)Nc1ccc2c(c1)OCO2 ZINC000735626483 574709389 /nfs/dbraw/zinc/70/93/89/574709389.db2.gz PEQDZWAVSPQLMD-UHFFFAOYSA-N 0 0 323.324 3.007 20 10 DGCDRN O=C(COC(=O)C1=CC(=O)CS1)c1ccc(F)c(Cl)c1 ZINC000736822887 574807792 /nfs/dbraw/zinc/80/77/92/574807792.db2.gz AOTRAJUPQVVWRC-UHFFFAOYSA-N 0 0 314.721 3.286 20 10 DGCDRN O=C([O-])C[N@@H+](Cc1c2c(ccc1O)oc1c2CCCC1)C1CC1 ZINC000738607526 574875060 /nfs/dbraw/zinc/87/50/60/574875060.db2.gz JKXOPVZBIOHZPL-UHFFFAOYSA-N 0 0 315.369 3.066 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1c[nH]c2ncccc12 ZINC000741283212 574954773 /nfs/dbraw/zinc/95/47/73/574954773.db2.gz ROYUPIVCIWWIHM-UHFFFAOYSA-N 0 0 309.369 3.321 20 10 DGCDRN CCc1ccc(CC(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC000741567721 574963121 /nfs/dbraw/zinc/96/31/21/574963121.db2.gz UIRQAQXAKQVVHW-UHFFFAOYSA-N 0 0 310.441 3.482 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2Cc3ccccc32)cc1 ZINC000741907735 574975942 /nfs/dbraw/zinc/97/59/42/574975942.db2.gz WMUBNLWZCQVTBP-LJQANCHMSA-N 0 0 308.425 3.489 20 10 DGCDRN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1nc(C(C)(C)C)no1 ZINC000742390882 574995659 /nfs/dbraw/zinc/99/56/59/574995659.db2.gz SUXDHXBJCQOQGO-LLVKDONJSA-N 0 0 320.412 3.423 20 10 DGCDRN Cc1ccc([C@H](C)C(=O)N(C)Cc2ccc(N(C)C)cc2)o1 ZINC000742496159 575003272 /nfs/dbraw/zinc/00/32/72/575003272.db2.gz VWPXNEDRCKLKOL-AWEZNQCLSA-N 0 0 300.402 3.416 20 10 DGCDRN C/C(=C/C(=O)N1CCOc2cc(N(C)C)ccc21)C(C)(C)C ZINC000742951936 575025833 /nfs/dbraw/zinc/02/58/33/575025833.db2.gz BMZOVGTUYYUXSK-QBFSEMIESA-N 0 0 302.418 3.470 20 10 DGCDRN COc1cccc(CNC(=O)c2cc3cccc(F)c3o2)c1O ZINC000743332926 575043801 /nfs/dbraw/zinc/04/38/01/575043801.db2.gz WWYBFFCSEABNFW-UHFFFAOYSA-N 0 0 315.300 3.216 20 10 DGCDRN O=C(c1cncs1)N(Cc1ccco1)Cc1ccccc1O ZINC000743429010 575050798 /nfs/dbraw/zinc/05/07/98/575050798.db2.gz WDFDDADFSMPLGY-UHFFFAOYSA-N 0 0 314.366 3.284 20 10 DGCDRN COc1ccc([C@@H](C)CCNC(=O)C2=CC(=O)CS2)cc1 ZINC000743628496 575059177 /nfs/dbraw/zinc/05/91/77/575059177.db2.gz ROEFNBYEDPSJDC-NSHDSACASA-N 0 0 305.399 3.386 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@H]2C[C@@]2(C)c2ccccc2)cc1 ZINC000743642507 575059995 /nfs/dbraw/zinc/05/99/95/575059995.db2.gz SOIUZORFOIMANP-ICSRJNTNSA-N 0 0 323.440 3.282 20 10 DGCDRN Cc1ccccc1[C@H]1CN(C(=O)C2=CC(=O)CS2)[C@@H](C)CO1 ZINC000743710842 575061894 /nfs/dbraw/zinc/06/18/94/575061894.db2.gz WKRCMZVWOROPEC-SWLSCSKDSA-N 0 0 317.410 3.364 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)C1CCSCC1 ZINC000743719776 575062194 /nfs/dbraw/zinc/06/21/94/575062194.db2.gz RXVVFLLJFZYTLZ-UHFFFAOYSA-N 0 0 305.443 3.030 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1scnc1Cl ZINC000743717613 575062208 /nfs/dbraw/zinc/06/22/08/575062208.db2.gz PHVRVLFMVTULBJ-UHFFFAOYSA-N 0 0 322.817 3.311 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1cccn1C ZINC000743790156 575063515 /nfs/dbraw/zinc/06/35/15/575063515.db2.gz KJSKZPQARGTZJG-UHFFFAOYSA-N 0 0 313.426 3.424 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)CSc2ccccc2)c1 ZINC000728980987 575198864 /nfs/dbraw/zinc/19/88/64/575198864.db2.gz RKTZRKAJIQTRDY-LBPRGKRZSA-N 0 0 317.410 3.370 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Cc2ccccc2Cl)c1 ZINC000728980584 575198967 /nfs/dbraw/zinc/19/89/67/575198967.db2.gz LCECHBAOBMTDQH-LLVKDONJSA-N 0 0 319.788 3.474 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2scnc2Cl)c1 ZINC000728983362 575199285 /nfs/dbraw/zinc/19/92/85/575199285.db2.gz YQPLVAFYDNSBNM-SSDOTTSWSA-N 0 0 312.778 3.002 20 10 DGCDRN CCOc1cccc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000728983189 575199373 /nfs/dbraw/zinc/19/93/73/575199373.db2.gz VTVSBPJQIPLBIJ-LBPRGKRZSA-N 0 0 315.369 3.291 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(OC)c(F)c2)c1 ZINC000728984998 575199395 /nfs/dbraw/zinc/19/93/95/575199395.db2.gz UWIVFNYFVOWVRO-JTQLQIEISA-N 0 0 319.332 3.040 20 10 DGCDRN COc1ccc(N(CC(=O)c2cccn2C)CC(C)C)cc1 ZINC000728917503 575194289 /nfs/dbraw/zinc/19/42/89/575194289.db2.gz HUXBJLNDJKCXPF-UHFFFAOYSA-N 0 0 300.402 3.379 20 10 DGCDRN CCN(CCCOCC(F)(F)F)c1ccc(OC)c(OC)c1 ZINC000740875836 575229586 /nfs/dbraw/zinc/22/95/86/575229586.db2.gz HCNREEPOMGVVHM-UHFFFAOYSA-N 0 0 321.339 3.499 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2c(C)noc2C(C)C)c1 ZINC000729279785 575232024 /nfs/dbraw/zinc/23/20/24/575232024.db2.gz CEJZGLAEDVTDLS-JTQLQIEISA-N 0 0 318.373 3.312 20 10 DGCDRN O=C(/C=C\c1cncc(F)c1)N1CCCc2c(F)cc(F)cc21 ZINC000729357965 575238429 /nfs/dbraw/zinc/23/84/29/575238429.db2.gz AQKCAWYNBFNDTF-ARJAWSKDSA-N 0 0 318.298 3.492 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2(c3ccccc3)CC2)c1 ZINC000729534666 575254856 /nfs/dbraw/zinc/25/48/56/575254856.db2.gz AOIRBDJKFKFJSN-CYBMUJFWSA-N 0 0 311.381 3.310 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cnc(C3CC3)s2)c1 ZINC000729535132 575254921 /nfs/dbraw/zinc/25/49/21/575254921.db2.gz LAYFEUWAUAPKMW-SECBINFHSA-N 0 0 318.398 3.226 20 10 DGCDRN Cc1cccnc1CNC(=S)Nc1ccc(OC(F)F)cc1 ZINC000729645428 575258767 /nfs/dbraw/zinc/25/87/67/575258767.db2.gz NMBZFNKPRPATDZ-UHFFFAOYSA-N 0 0 323.368 3.478 20 10 DGCDRN Cc1cccc(C)c1C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000744364149 575338712 /nfs/dbraw/zinc/33/87/12/575338712.db2.gz NNUXJXJUCICXRV-UHFFFAOYSA-N 0 0 310.397 3.392 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cc(Cl)ccc2O)cc1 ZINC000744377291 575339111 /nfs/dbraw/zinc/33/91/11/575339111.db2.gz RAMFAOYTIWYPNQ-UHFFFAOYSA-N 0 0 304.777 3.042 20 10 DGCDRN CCN(Cc1csc(COC)n1)c1ccc(OC)c(OC)c1 ZINC000744390823 575339660 /nfs/dbraw/zinc/33/96/60/575339660.db2.gz KVAMGZOWRXRGFS-UHFFFAOYSA-N 0 0 322.430 3.333 20 10 DGCDRN CCC1CCC(CNC(=O)NCc2cccc(OC)c2O)CC1 ZINC000745780292 575417189 /nfs/dbraw/zinc/41/71/89/575417189.db2.gz GZMPOVXTRGZLGY-UHFFFAOYSA-N 0 0 320.433 3.416 20 10 DGCDRN C[C@@H]1CC[C@H](C)N(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000745788451 575417932 /nfs/dbraw/zinc/41/79/32/575417932.db2.gz KWRZHZXDKCEBBT-CABCVRRESA-N 0 0 315.461 3.399 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H](C)[C@H]1C ZINC000745826393 575419167 /nfs/dbraw/zinc/41/91/67/575419167.db2.gz AHYHEQOSCWOCCO-DZGCQCFKSA-N 0 0 303.450 3.391 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1C[C@]1(C)c1ccccc1 ZINC000745858164 575420522 /nfs/dbraw/zinc/42/05/22/575420522.db2.gz ORSFIYONMKHBJP-PKOBYXMFSA-N 0 0 310.397 3.264 20 10 DGCDRN CCN(CC(=O)NC1CCCCCC1)c1ccc(OC)cc1 ZINC000746109064 575433242 /nfs/dbraw/zinc/43/32/42/575433242.db2.gz IOVGTWDGCHOVJL-UHFFFAOYSA-N 0 0 304.434 3.361 20 10 DGCDRN Cc1ccccc1-c1cc(NC(=O)C2=CC(=O)CS2)n(C)n1 ZINC000746409462 575451519 /nfs/dbraw/zinc/45/15/19/575451519.db2.gz FBSQTCYQVDXTGQ-UHFFFAOYSA-N 0 0 313.382 3.415 20 10 DGCDRN C[C@H]1CCCC[C@H]1NC(=S)NCc1ccc(N(C)C)c(F)c1 ZINC000746685492 575470230 /nfs/dbraw/zinc/47/02/30/575470230.db2.gz QRBAJJVJCKIYEY-SWLSCSKDSA-N 0 0 323.481 3.435 20 10 DGCDRN COc1ccccc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000746808782 575476045 /nfs/dbraw/zinc/47/60/45/575476045.db2.gz KYXFYDGITGHHIY-UHFFFAOYSA-N 0 0 310.397 3.008 20 10 DGCDRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)C1=CC(=O)CS1 ZINC000746893573 575482732 /nfs/dbraw/zinc/48/27/32/575482732.db2.gz CMEHRMHHLJHYCC-LADRHHBVSA-N 0 0 323.439 3.024 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCc1ccc(F)cc1F ZINC000746964190 575486437 /nfs/dbraw/zinc/48/64/37/575486437.db2.gz QHMDRMDPGRJWIQ-UHFFFAOYSA-N 0 0 306.312 3.012 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1ccon1 ZINC000747433273 575517432 /nfs/dbraw/zinc/51/74/32/575517432.db2.gz VFWWVZMCVRBDDV-UHFFFAOYSA-N 0 0 309.369 3.321 20 10 DGCDRN CCOc1ccc(N(CC)C[C@H](O)COCc2ccco2)cc1 ZINC000747682458 575532628 /nfs/dbraw/zinc/53/26/28/575532628.db2.gz LGNGIRWVAOZXMZ-INIZCTEOSA-N 0 0 319.401 3.082 20 10 DGCDRN CCOc1ccc(N(CC)Cc2nsc(N(C)C)n2)cc1 ZINC000747682622 575532639 /nfs/dbraw/zinc/53/26/39/575532639.db2.gz PBTNYEBRFCSSHW-UHFFFAOYSA-N 0 0 306.435 3.029 20 10 DGCDRN COc1ccccc1C[C@@H](NC(=O)C1=CC(=O)CS1)C(C)C ZINC000747943352 575552408 /nfs/dbraw/zinc/55/24/08/575552408.db2.gz GJWTYOKPUQWXIN-CQSZACIVSA-N 0 0 319.426 3.459 20 10 DGCDRN CCc1cccc(C(=O)NCCCSc2nccs2)c1O ZINC000748038919 575557685 /nfs/dbraw/zinc/55/76/85/575557685.db2.gz BKXDUGKFUSLXTC-UHFFFAOYSA-N 0 0 322.455 3.323 20 10 DGCDRN CN1CCCc2cc(/C=C3/N=C(c4ccccc4)OC3=O)ccc21 ZINC000748044870 575558239 /nfs/dbraw/zinc/55/82/39/575558239.db2.gz NHCWJPZZDUJGGL-GHRIWEEISA-N 0 0 318.376 3.414 20 10 DGCDRN CC[C@H](Oc1ccccc1F)C(=O)NCc1ccccc1O ZINC000748300162 575579559 /nfs/dbraw/zinc/57/95/59/575579559.db2.gz PDUWEOIFGLHUGQ-HNNXBMFYSA-N 0 0 303.333 3.005 20 10 DGCDRN CC(C)(C)c1ccccc1OCC(=O)NCc1ccccc1O ZINC000748352403 575582430 /nfs/dbraw/zinc/58/24/30/575582430.db2.gz BVACCFNAIANWAN-UHFFFAOYSA-N 0 0 313.397 3.385 20 10 DGCDRN COCc1c2ccccc2oc1C(=O)NCc1ccccc1O ZINC000748354892 575582926 /nfs/dbraw/zinc/58/29/26/575582926.db2.gz OWHAAIQACWFDEN-UHFFFAOYSA-N 0 0 311.337 3.215 20 10 DGCDRN Cc1nc(-c2cccc(NC(=O)NCc3ccccc3O)c2)no1 ZINC000748443362 575587120 /nfs/dbraw/zinc/58/71/20/575587120.db2.gz MNXYMBUQCSXBCW-UHFFFAOYSA-N 0 0 324.340 3.072 20 10 DGCDRN C[C@H]1C[C@H]1c1ccc(CNC(=O)NCc2ccccc2O)o1 ZINC000748458803 575588126 /nfs/dbraw/zinc/58/81/26/575588126.db2.gz CLBLTRFJORUFKX-SMDDNHRTSA-N 0 0 300.358 3.108 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1ccnn1C1CCCCC1 ZINC000748462220 575588505 /nfs/dbraw/zinc/58/85/05/575588505.db2.gz BUWGLLHZCDQGDN-UHFFFAOYSA-N 0 0 314.389 3.416 20 10 DGCDRN COC(=O)/C(C)=C\CN(Cc1ccco1)Cc1ccccc1O ZINC000748818730 575609532 /nfs/dbraw/zinc/60/95/32/575609532.db2.gz XNZGUUOPXBSLIK-ZROIWOOFSA-N 0 0 315.369 3.107 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(C)ns2)c1 ZINC000749231859 575636906 /nfs/dbraw/zinc/63/69/06/575636906.db2.gz DQKXMNHDUPBGLP-SECBINFHSA-N 0 0 307.375 3.048 20 10 DGCDRN COCCCNC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000749323228 575644500 /nfs/dbraw/zinc/64/45/00/575644500.db2.gz BFHQJUTYAKNNOL-UHFFFAOYSA-N 0 0 314.429 3.477 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@H]2CCc3ccccc3C2)cc1 ZINC000749415635 575654995 /nfs/dbraw/zinc/65/49/95/575654995.db2.gz FPEDFCVCDMKJNE-SFHVURJKSA-N 0 0 323.440 3.109 20 10 DGCDRN CCO[C@H]1C[C@H](NC(=O)NCc2ccccc2O)C1(CC)CC ZINC000749559406 575665122 /nfs/dbraw/zinc/66/51/22/575665122.db2.gz RYISOFVFQDVPHG-HOTGVXAUSA-N 0 0 320.433 3.175 20 10 DGCDRN CC[C@H](C)NC(=S)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000749768636 575677081 /nfs/dbraw/zinc/67/70/81/575677081.db2.gz ZOHGXJCAPDHIEU-ZDUSSCGKSA-N 0 0 305.491 3.390 20 10 DGCDRN CCC[C@@H](O)CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000750097312 575703749 /nfs/dbraw/zinc/70/37/49/575703749.db2.gz USWYQCLPYIBUPQ-GOSISDBHSA-N 0 0 318.461 3.186 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc3c(n2)CCCC3)cc1 ZINC000750706080 575746371 /nfs/dbraw/zinc/74/63/71/575746371.db2.gz VCAZUQFDJDGKHW-UHFFFAOYSA-N 0 0 323.440 3.299 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C(C)(C)c2ccccc2F)cc1 ZINC000750713445 575747169 /nfs/dbraw/zinc/74/71/69/575747169.db2.gz PNWDXUSGTJTJFE-UHFFFAOYSA-N 0 0 314.404 3.486 20 10 DGCDRN CC(C)(C)c1ccc(S(=O)(=O)NCc2ccccc2O)cc1 ZINC000751150325 575771845 /nfs/dbraw/zinc/77/18/45/575771845.db2.gz BTRHLEMJJGTNKV-UHFFFAOYSA-N 0 0 319.426 3.168 20 10 DGCDRN CS[C@@H](C)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000751299935 575778986 /nfs/dbraw/zinc/77/89/86/575778986.db2.gz RULNTBFRDBWORC-NSHDSACASA-N 0 0 312.398 3.086 20 10 DGCDRN C/C=C/C=C\C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000751305999 575779676 /nfs/dbraw/zinc/77/96/76/575779676.db2.gz NSDREJLQBMLBKT-ICKRUQPGSA-N 0 0 304.353 3.467 20 10 DGCDRN CN1CCc2cc(/C=C3/N=C(c4ccccc4)OC3=O)ccc21 ZINC000751523193 575788405 /nfs/dbraw/zinc/78/84/05/575788405.db2.gz KXKVHYJGCAQLRM-FOWTUZBSSA-N 0 0 304.349 3.023 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccc(N(C)C)c(Cl)c2)c(O)c1O ZINC000751536237 575789583 /nfs/dbraw/zinc/78/95/83/575789583.db2.gz XHDIFYWRKUSSAA-UHFFFAOYSA-N 0 0 320.776 3.378 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C)[C@@H]2C)cc1 ZINC000752004357 575817618 /nfs/dbraw/zinc/81/76/18/575817618.db2.gz GGCJCDVSXGISNH-GJZGRUSLSA-N 0 0 303.450 3.473 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)NCCCSc1nccs1 ZINC000752352613 575833481 /nfs/dbraw/zinc/83/34/81/575833481.db2.gz UQVVWOPHRGWIBK-ONEGZZNKSA-N 0 0 319.455 3.158 20 10 DGCDRN CCOC(=O)[C@H](C)OC(=O)c1sccc1-n1c(C)ccc1C ZINC000725928294 575967524 /nfs/dbraw/zinc/96/75/24/575967524.db2.gz VLJKJEJINXSGNF-LBPRGKRZSA-N 0 0 321.398 3.264 20 10 DGCDRN CCN1C(=O)/C(=C\c2ccc(N3CCCCC3)o2)SC1=S ZINC000205772623 575969486 /nfs/dbraw/zinc/96/94/86/575969486.db2.gz BOIVJFMBZMPHEU-ZRDIBKRKSA-N 0 0 322.455 3.491 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)c3cccc(C)c3)CC2)cc1 ZINC000726562653 576031341 /nfs/dbraw/zinc/03/13/41/576031341.db2.gz RVHCXXJMYMAORY-UHFFFAOYSA-N 0 0 324.424 3.402 20 10 DGCDRN COc1cccc(O)c1CNCc1cc(-c2ccccc2)on1 ZINC000726797391 576042327 /nfs/dbraw/zinc/04/23/27/576042327.db2.gz ALPLGMZYBUZNJD-UHFFFAOYSA-N 0 0 310.353 3.346 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)N(C)[C@H](C)CC(C)C)cc1 ZINC000739922949 576052012 /nfs/dbraw/zinc/05/20/12/576052012.db2.gz ABQRHOHJLBZBGO-OAHLLOKOSA-N 0 0 306.450 3.415 20 10 DGCDRN CN(C)c1ccc(/C=C2/N=C(c3cccs3)OC2=O)cc1F ZINC000727658646 576137551 /nfs/dbraw/zinc/13/75/51/576137551.db2.gz ILWMLRWAVISMSB-FMIVXFBMSA-N 0 0 316.357 3.298 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000740423841 576166970 /nfs/dbraw/zinc/16/69/70/576166970.db2.gz UETVIPFQBJDFLA-HUUCEWRRSA-N 0 0 304.434 3.311 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cscn2)cc1 ZINC000728460456 576183209 /nfs/dbraw/zinc/18/32/09/576183209.db2.gz JIUGPPONIWJAKA-UHFFFAOYSA-N 0 0 303.431 3.262 20 10 DGCDRN CC(=C/c1ccccc1)/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000728696737 576195723 /nfs/dbraw/zinc/19/57/23/576195723.db2.gz BPZSSABPRQNAQV-PNKQLNASSA-N 0 0 304.349 3.094 20 10 DGCDRN CC[C@@H](C)OCC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000751569503 576208866 /nfs/dbraw/zinc/20/88/66/576208866.db2.gz TVZFJOSHSWVZEK-OAHLLOKOSA-N 0 0 306.450 3.306 20 10 DGCDRN CCc1sc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1C ZINC000916602474 620638599 /nfs/dbraw/zinc/63/85/99/620638599.db2.gz PHOPSDFAIALTSO-UHFFFAOYSA-N 0 0 320.366 3.070 20 10 DGCDRN Cn1c2ccc(OC(=O)O[C@H]3CCOC3)cc2c2c1CCCC2 ZINC000916629745 620639879 /nfs/dbraw/zinc/63/98/79/620639879.db2.gz ITPWEUNNYXQROQ-ZDUSSCGKSA-N 0 0 315.369 3.361 20 10 DGCDRN O=C([O-])[C@@H]1CC12CC[NH+](Cc1c(O)ccc3ccccc31)CC2 ZINC000405369240 600279041 /nfs/dbraw/zinc/27/90/41/600279041.db2.gz NQQLDIAKYIPQHR-INIZCTEOSA-N 0 0 311.381 3.232 20 10 DGCDRN CCN(C)c1ccc(CN2CCO[C@@H](CC(F)(F)F)C2)cc1 ZINC000852741210 620644462 /nfs/dbraw/zinc/64/44/62/620644462.db2.gz XTVUBQZFVIDPFB-HNNXBMFYSA-N 0 0 316.367 3.296 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(C)c1O ZINC000154199232 620647013 /nfs/dbraw/zinc/64/70/13/620647013.db2.gz CEMVRIXUYPPMOQ-UHFFFAOYSA-N 0 0 312.413 3.429 20 10 DGCDRN Cc1ccc(C=C2SC(NC3CCCCC3)=NC2=O)cn1 ZINC000154256303 620653203 /nfs/dbraw/zinc/65/32/03/620653203.db2.gz FAWIUBIXIGHJNP-NTEUORMPSA-N 0 0 301.415 3.283 20 10 DGCDRN Cc1ccccc1OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000917524532 620671548 /nfs/dbraw/zinc/67/15/48/620671548.db2.gz NVDJNOUKVUBXTI-UHFFFAOYSA-N 0 0 312.413 3.098 20 10 DGCDRN Cc1cc(C(=O)O[C@@H](C)c2nc[nH]n2)c(C)n1-c1cccc(C)c1 ZINC000853214162 620677612 /nfs/dbraw/zinc/67/76/12/620677612.db2.gz NGIJKWSMAHFZMJ-AWEZNQCLSA-N 0 0 324.384 3.439 20 10 DGCDRN CCc1nc(CN(Cc2ccco2)Cc2ccccc2O)no1 ZINC000111232755 620685105 /nfs/dbraw/zinc/68/51/05/620685105.db2.gz BQZQQFKVOUPJOB-UHFFFAOYSA-N 0 0 313.357 3.133 20 10 DGCDRN CSCCNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000917931995 620688399 /nfs/dbraw/zinc/68/83/99/620688399.db2.gz JCLYWDDNNKQSMM-UHFFFAOYSA-N 0 0 302.443 3.495 20 10 DGCDRN C[C@@H](N(C)C(=O)NCCCSc1nccs1)C1(C)CC1 ZINC000154604046 620692877 /nfs/dbraw/zinc/69/28/77/620692877.db2.gz VABMKCSPWKJLFB-LLVKDONJSA-N 0 0 313.492 3.455 20 10 DGCDRN CCCC[C@H](Sc1ncc(C(=O)OCC)s1)C(=O)OC ZINC000853560294 620709645 /nfs/dbraw/zinc/70/96/45/620709645.db2.gz SSRRZMHCTKMNST-VIFPVBQESA-N 0 0 317.432 3.144 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)Nc1cc(CO)c(F)cn1 ZINC000853692117 620725242 /nfs/dbraw/zinc/72/52/42/620725242.db2.gz PIWOASDIGHERLG-ZDUSSCGKSA-N 0 0 317.408 3.131 20 10 DGCDRN Cc1csc(C)c1S(=O)(=O)N[C@H](C)c1ccccc1O ZINC000919119863 620736587 /nfs/dbraw/zinc/73/65/87/620736587.db2.gz RMBAPUHOTTWVQQ-SNVBAGLBSA-N 0 0 311.428 3.110 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC1C[C@H](C)O[C@@H](C)C1 ZINC000154907634 620736995 /nfs/dbraw/zinc/73/69/95/620736995.db2.gz LIRHKOLVWPPFIB-KBPBESRZSA-N 0 0 320.433 3.270 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000154907525 620737149 /nfs/dbraw/zinc/73/71/49/620737149.db2.gz LIRHKOLVWPPFIB-ZIAGYGMSSA-N 0 0 320.433 3.270 20 10 DGCDRN CSC1CCC(CNC(=O)NCc2cc(C)ccc2O)CC1 ZINC000924299833 617629292 /nfs/dbraw/zinc/62/92/92/617629292.db2.gz YZSGDOHSJNIBPD-UHFFFAOYSA-N 0 0 322.474 3.422 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1nc2c(s1)CCC2 ZINC000154912743 620738724 /nfs/dbraw/zinc/73/87/24/620738724.db2.gz BHGFOGUXRJJUKV-UHFFFAOYSA-N 0 0 315.442 3.097 20 10 DGCDRN CC[C@@H]1C[C@H](CC(=O)NCc2cccc(Cl)c2O)CCO1 ZINC000890759724 617656311 /nfs/dbraw/zinc/65/63/11/617656311.db2.gz PHEUGXHCZYJTPI-DGCLKSJQSA-N 0 0 311.809 3.257 20 10 DGCDRN CC[C@@H](C)CC[C@@H](O)CC(=O)NCc1cccc(Cl)c1O ZINC000890759094 617656404 /nfs/dbraw/zinc/65/64/04/617656404.db2.gz BZIWSMOCLONTCQ-DGCLKSJQSA-N 0 0 313.825 3.239 20 10 DGCDRN CCCc1nc(C)c(C(=O)NCc2cccc(Cl)c2O)o1 ZINC000890759698 617656546 /nfs/dbraw/zinc/65/65/46/617656546.db2.gz OYCZTPIKGIIPRX-UHFFFAOYSA-N 0 0 308.765 3.225 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)C1CC2(CC2(F)F)C1 ZINC000890761121 617657073 /nfs/dbraw/zinc/65/70/73/617657073.db2.gz LGINAOMQAQXHHB-UHFFFAOYSA-N 0 0 301.720 3.097 20 10 DGCDRN C[C@@H](CC(=O)NCc1cccc(Cl)c1O)c1ccncc1 ZINC000890760261 617657089 /nfs/dbraw/zinc/65/70/89/617657089.db2.gz MIKZZNQZNQWORG-NSHDSACASA-N 0 0 304.777 3.251 20 10 DGCDRN CC[C@@H](C)[C@@H](C)C(=O)NCc1cc(Br)ccc1O ZINC000804739787 617662425 /nfs/dbraw/zinc/66/24/25/617662425.db2.gz SYSCKNROXHQTHF-NXEZZACHSA-N 0 0 314.223 3.453 20 10 DGCDRN CC(C)CCC(=O)NCc1cc(Br)ccc1O ZINC000804738293 617662442 /nfs/dbraw/zinc/66/24/42/617662442.db2.gz KNEMMUDJGZOBKL-UHFFFAOYSA-N 0 0 300.196 3.207 20 10 DGCDRN CSCC(C)(C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000890872261 617694837 /nfs/dbraw/zinc/69/48/37/617694837.db2.gz OIXAHMDTAHZUFT-UHFFFAOYSA-N 0 0 311.428 3.184 20 10 DGCDRN CO[C@@H](C)CN(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000804840957 617699320 /nfs/dbraw/zinc/69/93/20/617699320.db2.gz SQYHEBGORLUSQS-HNNXBMFYSA-N 0 0 300.402 3.201 20 10 DGCDRN O=C(NCCCSc1nccs1)N1C[C@@H]2CCCC[C@@H]21 ZINC000853854541 620745512 /nfs/dbraw/zinc/74/55/12/620745512.db2.gz BMMJGJVYZJPBJW-RYUDHWBXSA-N 0 0 311.476 3.209 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)NC[C@@H]1CC1(Cl)Cl ZINC000891565598 617836706 /nfs/dbraw/zinc/83/67/06/617836706.db2.gz JPGYUEJBYOXJAZ-QMMMGPOBSA-N 0 0 323.607 3.039 20 10 DGCDRN CN1CCCc2cc(CNc3cc(C(F)F)ncn3)ccc21 ZINC000892133812 617971353 /nfs/dbraw/zinc/97/13/53/617971353.db2.gz UPIHTKMGZVKIQN-UHFFFAOYSA-N 0 0 304.344 3.409 20 10 DGCDRN CC(C)(C)CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000919919727 620771953 /nfs/dbraw/zinc/77/19/53/620771953.db2.gz MUNLDRVJEAAHJF-UHFFFAOYSA-N 0 0 321.490 3.085 20 10 DGCDRN Nc1ccc(Cc2noc([C@H]3COC[C@H]3c3ccccc3)n2)cc1 ZINC000854134638 620772251 /nfs/dbraw/zinc/77/22/51/620772251.db2.gz RPFJZGPMBARXRO-IRXDYDNUSA-N 0 0 321.380 3.140 20 10 DGCDRN FC(F)c1cc(NCCCSc2nccs2)ncn1 ZINC000892515278 618094867 /nfs/dbraw/zinc/09/48/67/618094867.db2.gz LCGSSHLGSQJJNX-UHFFFAOYSA-N 0 0 302.375 3.465 20 10 DGCDRN COC(=O)c1nc(NCCCSc2nccs2)ccc1C ZINC000892515629 618095286 /nfs/dbraw/zinc/09/52/86/618095286.db2.gz VDYRVVRPSMVHOW-UHFFFAOYSA-N 0 0 323.443 3.227 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC[C@H](C)C2CC2)cc1 ZINC000920053906 620780103 /nfs/dbraw/zinc/78/01/03/620780103.db2.gz KIHAOFSQPMBDAW-AWEZNQCLSA-N 0 0 303.450 3.378 20 10 DGCDRN CCN(CC)c1ccc(C[N@H+](CC(=O)[O-])CC(C)(C)C)cc1 ZINC000854244320 620787629 /nfs/dbraw/zinc/78/76/29/620787629.db2.gz ZQXHZYGEBDJBBH-UHFFFAOYSA-N 0 0 306.450 3.466 20 10 DGCDRN Oc1ccc(CCNc2cc(C3CC3)nc(C3CC3)n2)cc1O ZINC000892818794 618319329 /nfs/dbraw/zinc/31/93/29/618319329.db2.gz JVZYFOBXZCHMSY-UHFFFAOYSA-N 0 0 311.385 3.297 20 10 DGCDRN C[C@H]1Cc2cc(C(=O)N(C)Cc3ccc(N(C)C)cc3)ccc2O1 ZINC000854324919 620795315 /nfs/dbraw/zinc/79/53/15/620795315.db2.gz SSJIESJVVUTKLH-AWEZNQCLSA-N 0 0 324.424 3.348 20 10 DGCDRN COc1cc(C)cc(CNc2ccccc2C[S@](C)=O)c1O ZINC000894469806 618344896 /nfs/dbraw/zinc/34/48/96/618344896.db2.gz QGTQEUNVCGXGKZ-QFIPXVFZSA-N 0 0 319.426 3.200 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccnn1CCC ZINC000854374175 620798847 /nfs/dbraw/zinc/79/88/47/620798847.db2.gz QEHJJCIJXYPPQH-UHFFFAOYSA-N 0 0 315.417 3.441 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H]2CCC[C@@H]21 ZINC000893052162 618405042 /nfs/dbraw/zinc/40/50/42/618405042.db2.gz CGSRNUGKPLNJQK-YOEHRIQHSA-N 0 0 301.434 3.145 20 10 DGCDRN CCOC(=O)CC[N@H+](Cc1c([O-])ccc(Cl)c1F)C1CC1 ZINC000792165333 618421747 /nfs/dbraw/zinc/42/17/47/618421747.db2.gz PBPNKDVZXUDXIB-UHFFFAOYSA-N 0 0 315.772 3.102 20 10 DGCDRN C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@H](C)S1=O ZINC000792192307 618427600 /nfs/dbraw/zinc/42/76/00/618427600.db2.gz MBUJABVNUTVUQW-IUCAKERBSA-N 0 0 322.257 3.040 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000893135624 618440245 /nfs/dbraw/zinc/44/02/45/618440245.db2.gz OGOPOAXLHZMZFK-BPQIPLTHSA-N 0 0 311.429 3.051 20 10 DGCDRN COCCN(Cc1ccc(OC)c(OC)c1O)c1ccccc1 ZINC000894743924 618445740 /nfs/dbraw/zinc/44/57/40/618445740.db2.gz RVHUXOQLUCSERK-UHFFFAOYSA-N 0 0 317.385 3.062 20 10 DGCDRN COc1ccc(CNc2cccnc2OC(C)C)c(O)c1OC ZINC000893199708 618472740 /nfs/dbraw/zinc/47/27/40/618472740.db2.gz YRMRKGRVRKMLFQ-UHFFFAOYSA-N 0 0 318.373 3.204 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000894885372 618488080 /nfs/dbraw/zinc/48/80/80/618488080.db2.gz BPDXNFGRTRKGGN-IMJJTQAJSA-N 0 0 311.372 3.186 20 10 DGCDRN Cc1cc(CCNC(=S)NC2CC2)c(C)n1-c1ccccc1 ZINC000015156229 618536046 /nfs/dbraw/zinc/53/60/46/618536046.db2.gz VNJAAUQAFHJSFW-UHFFFAOYSA-N 0 0 313.470 3.263 20 10 DGCDRN C[C@@H](CNC(=O)NCc1cccc(Cl)c1O)c1ccncc1 ZINC000893448713 618559415 /nfs/dbraw/zinc/55/94/15/618559415.db2.gz GOVZMLVANUTQAI-NSHDSACASA-N 0 0 319.792 3.044 20 10 DGCDRN COc1cc(N(C)Cc2ccc(O)c(F)c2)cc(OC)c1OC ZINC000893461692 618563457 /nfs/dbraw/zinc/56/34/57/618563457.db2.gz PHUIAWUBLWRTDG-UHFFFAOYSA-N 0 0 321.348 3.194 20 10 DGCDRN COc1cc(N(C)CC2CCC(OC)CC2)cc(OC)c1OC ZINC000893461528 618563464 /nfs/dbraw/zinc/56/34/64/618563464.db2.gz NWCVKPMWLNIZFM-UHFFFAOYSA-N 0 0 323.433 3.354 20 10 DGCDRN COc1ccc(CNc2cc(F)cc(N(C)C)c2)c(O)c1OC ZINC000895176542 618567047 /nfs/dbraw/zinc/56/70/47/618567047.db2.gz PZXYPDGGLMRAAO-UHFFFAOYSA-N 0 0 320.364 3.227 20 10 DGCDRN C[C@@H](CNC(=O)NCc1cccc(Cl)c1O)CC(F)(F)F ZINC000895366786 618603502 /nfs/dbraw/zinc/60/35/02/618603502.db2.gz NJHBFEIJPGHWIC-MRVPVSSYSA-N 0 0 324.730 3.433 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(SC)o2)c1 ZINC000112393760 620820964 /nfs/dbraw/zinc/82/09/64/620820964.db2.gz SXPGPKIYWPWMPU-SECBINFHSA-N 0 0 307.371 3.207 20 10 DGCDRN Cn1cc(CCCN2CCCc3cc(OC(F)F)ccc32)cn1 ZINC000920760388 620821687 /nfs/dbraw/zinc/82/16/87/620821687.db2.gz IHHDDWDWVZUHEO-UHFFFAOYSA-N 0 0 321.371 3.407 20 10 DGCDRN CO[C@](C)([C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000840961028 618639239 /nfs/dbraw/zinc/63/92/39/618639239.db2.gz PKBJIANFXWJULI-RFAUZJTJSA-N 0 0 301.789 3.478 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)N[C@H]1CCCC(F)(F)C1 ZINC000893750514 618658883 /nfs/dbraw/zinc/65/88/83/618658883.db2.gz UKOTVAVPJDVYOI-JTQLQIEISA-N 0 0 318.751 3.423 20 10 DGCDRN CCC[N@H+](CCO)Cc1cc(Cl)cc(Br)c1[O-] ZINC000893896702 618673881 /nfs/dbraw/zinc/67/38/81/618673881.db2.gz VXANJGWHKFGSRT-UHFFFAOYSA-N 0 0 322.630 3.012 20 10 DGCDRN CN(Cc1ccccc1O)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000788855198 625282620 /nfs/dbraw/zinc/28/26/20/625282620.db2.gz MZYWTOIZYRRNQT-UHFFFAOYSA-N 0 0 309.325 3.485 20 10 DGCDRN COc1cc(C)cc(C[N@H+](C)Cc2ccccc2O)c1OC ZINC000893962923 618680834 /nfs/dbraw/zinc/68/08/34/618680834.db2.gz XBPROCHJAAPKBJ-UHFFFAOYSA-N 0 0 301.386 3.350 20 10 DGCDRN COc1ccc(CNCC(F)(F)c2ccccc2)c(O)c1OC ZINC000893956503 618682742 /nfs/dbraw/zinc/68/27/42/618682742.db2.gz DNTORFBPJRCZOM-UHFFFAOYSA-N 0 0 323.339 3.291 20 10 DGCDRN COc1cc(C)cc(CNc2cccc(N(C)C(C)=O)c2)c1O ZINC000894115945 618713478 /nfs/dbraw/zinc/71/34/78/618713478.db2.gz KYZBQWJFTRVREG-UHFFFAOYSA-N 0 0 314.385 3.304 20 10 DGCDRN CCCc1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2)cc1 ZINC000148637115 618752401 /nfs/dbraw/zinc/75/24/01/618752401.db2.gz QANIHSIGGLPGDQ-UHFFFAOYSA-N 0 0 305.399 3.454 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1C[C@@H]2CCC[C@H]12)c1ccc(N(C)C)cc1 ZINC000894287582 618752868 /nfs/dbraw/zinc/75/28/68/618752868.db2.gz WFASNTNSBWXCRM-ZFZWDLNGSA-N 0 0 301.434 3.301 20 10 DGCDRN Nc1ccc(OCc2cn([C@@H]3CCCc4ccccc43)nn2)cc1 ZINC000881213792 625292390 /nfs/dbraw/zinc/29/23/90/625292390.db2.gz HXPYCOBYTLIXKW-LJQANCHMSA-N 0 0 320.396 3.365 20 10 DGCDRN COc1cc(C)cc(CNc2cccc3c2OCCCO3)c1O ZINC000895466914 618788570 /nfs/dbraw/zinc/78/85/70/618788570.db2.gz IPTHWLRQZVLUMV-UHFFFAOYSA-N 0 0 315.369 3.483 20 10 DGCDRN Cc1csc([C@H]2CC[N@H+](Cc3cc(F)cc(F)c3[O-])C2)n1 ZINC000895473038 618788932 /nfs/dbraw/zinc/78/89/32/618788932.db2.gz NFWXGRLEDFVBQJ-JTQLQIEISA-N 0 0 310.369 3.425 20 10 DGCDRN Cc1nc(C)c(CC(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000895485274 618792261 /nfs/dbraw/zinc/79/22/61/618792261.db2.gz OSAAFSJVFWREMF-UHFFFAOYSA-N 0 0 317.458 3.027 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@H](CF)C2)c1 ZINC000895573614 618800380 /nfs/dbraw/zinc/80/03/80/618800380.db2.gz QCWDVTLWTBXXGX-JTQLQIEISA-N 0 0 302.187 3.255 20 10 DGCDRN CC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCCOC1 ZINC000895662198 618814142 /nfs/dbraw/zinc/81/41/42/618814142.db2.gz BSDVUESFIIUWKO-YGRLFVJLSA-N 0 0 301.789 3.480 20 10 DGCDRN c1cc(N2CCCCC2)ccc1CN1CCc2ncncc2C1 ZINC000895722839 618823204 /nfs/dbraw/zinc/82/32/04/618823204.db2.gz LLTRLRDKAABRQM-UHFFFAOYSA-N 0 0 308.429 3.025 20 10 DGCDRN CN=[S@@](C)(=O)c1cccc(NCc2c(C)cccc2O)c1 ZINC000895731945 618824851 /nfs/dbraw/zinc/82/48/51/618824851.db2.gz SZGYWWDEACQCGE-NRFANRHFSA-N 0 0 304.415 3.399 20 10 DGCDRN O=C(NCc1ccc(N2CCSCC2)cc1)C1(C2CC2)CC1 ZINC000895773041 618829431 /nfs/dbraw/zinc/82/94/31/618829431.db2.gz XVDBMGRVCGDSKG-UHFFFAOYSA-N 0 0 316.470 3.046 20 10 DGCDRN C[C@]1(CCNC(=O)NCc2cccc(Cl)c2O)CC1(F)F ZINC000895795129 618832648 /nfs/dbraw/zinc/83/26/48/618832648.db2.gz CAXVOXWOZYVEOD-ZDUSSCGKSA-N 0 0 318.751 3.280 20 10 DGCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC2(CC2)CC1 ZINC000896280567 618896298 /nfs/dbraw/zinc/89/62/98/618896298.db2.gz JOEKQQOPXKRMKC-UHFFFAOYSA-N 0 0 303.383 3.329 20 10 DGCDRN COc1cc(C)cc(CN[C@@H]2c3ccccc3OC[C@H]2F)c1O ZINC000896424026 618911586 /nfs/dbraw/zinc/91/15/86/618911586.db2.gz MQNWQWHLBVMFBD-RHSMWYFYSA-N 0 0 317.360 3.271 20 10 DGCDRN CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H](c3ccn(C)n3)C2)cc1 ZINC000896488568 618917842 /nfs/dbraw/zinc/91/78/42/618917842.db2.gz IDISDKJYVNDMJM-WLPBJKJWSA-N 0 0 324.472 3.379 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CCO[C@@H](C)CC2)c1 ZINC000896586668 618930905 /nfs/dbraw/zinc/93/09/05/618930905.db2.gz ZWKXTQSSABWBED-NSHDSACASA-N 0 0 314.223 3.074 20 10 DGCDRN COc1cc(Cl)cc(CN[C@@H](c2ncccn2)C2CC2)c1O ZINC000896600278 618933158 /nfs/dbraw/zinc/93/31/58/618933158.db2.gz VQGKAZYGEGGJCP-CQSZACIVSA-N 0 0 319.792 3.085 20 10 DGCDRN [O-]c1cccc(F)c1C[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC000896642497 618937873 /nfs/dbraw/zinc/93/78/73/618937873.db2.gz YDQMRXVTVLWASV-CQSZACIVSA-N 0 0 308.378 3.129 20 10 DGCDRN COC[C@@H](C)Oc1ccc(C[NH2+]Cc2c([O-])cccc2F)cc1 ZINC000896638043 618939698 /nfs/dbraw/zinc/93/96/98/618939698.db2.gz NSPBXZROWFYUFD-CYBMUJFWSA-N 0 0 319.376 3.235 20 10 DGCDRN [O-]c1cccc(F)c1C[NH2+]Cc1ccccc1OCC(F)F ZINC000896638286 618939703 /nfs/dbraw/zinc/93/97/03/618939703.db2.gz ABEVJCGXHALUJG-UHFFFAOYSA-N 0 0 311.303 3.465 20 10 DGCDRN C[C@@H](NC(=O)NCC(C)(C)C1CCOCC1)c1ccccc1O ZINC000897027587 619002864 /nfs/dbraw/zinc/00/28/64/619002864.db2.gz MLRGPDIEZFBTGU-CYBMUJFWSA-N 0 0 320.433 3.205 20 10 DGCDRN C[C@H](NC(=O)NCC[C@@H]1CCC(C)(C)CO1)c1ccccc1O ZINC000897094053 619015193 /nfs/dbraw/zinc/01/51/93/619015193.db2.gz GOWCGSUWSIOFRJ-KBPBESRZSA-N 0 0 320.433 3.348 20 10 DGCDRN CCn1cnc2c1CCN(Cc1ccc(N3CCCCC3)cc1)C2 ZINC000897336683 619062558 /nfs/dbraw/zinc/06/25/58/619062558.db2.gz LCYXJFWMRXHEAB-UHFFFAOYSA-N 0 0 324.472 3.452 20 10 DGCDRN CCCN(CCC)c1ccc(C[N@H+](C)C[C@H](C)C(=O)[O-])cc1 ZINC000840999244 619113683 /nfs/dbraw/zinc/11/36/83/619113683.db2.gz QWMCBWFODLPCAD-HNNXBMFYSA-N 0 0 306.450 3.466 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)N3C[C@@H]4C[C@@H]4C3)cc2)CC1 ZINC000888218985 619134035 /nfs/dbraw/zinc/13/40/35/619134035.db2.gz QVHKFGQNKSVKFW-CALCHBBNSA-N 0 0 313.445 3.084 20 10 DGCDRN CCOC[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(C)C ZINC000897534022 619150383 /nfs/dbraw/zinc/15/03/83/619150383.db2.gz IEZJKLYUOVMMMJ-NSHDSACASA-N 0 0 323.414 3.103 20 10 DGCDRN Cc1noc(C[C@H]2CCC[N@H+](Cc3cccc(Cl)c3[O-])C2)n1 ZINC000897579265 619162423 /nfs/dbraw/zinc/16/24/23/619162423.db2.gz SFPKFFCRUSPBFB-GFCCVEGCSA-N 0 0 321.808 3.192 20 10 DGCDRN Cc1nocc1C[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000865679037 619165673 /nfs/dbraw/zinc/16/56/73/619165673.db2.gz VBGOMUXNJQGTPG-UHFFFAOYSA-N 0 0 311.179 3.049 20 10 DGCDRN O=C(NC[C@H]1CCCSC1)c1cc2cc(O)c(O)cc2s1 ZINC000897771817 619178874 /nfs/dbraw/zinc/17/88/74/619178874.db2.gz YMMAICZNEWAQHL-SECBINFHSA-N 0 0 323.439 3.186 20 10 DGCDRN CC[C@H](C)[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)OC ZINC000897880243 619190821 /nfs/dbraw/zinc/19/08/21/619190821.db2.gz KPKRGSJSBMWFBR-TVQRCGJNSA-N 0 0 323.414 3.103 20 10 DGCDRN C[C@@H](Cc1cccnc1)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000897970558 619196084 /nfs/dbraw/zinc/19/60/84/619196084.db2.gz SNUYCFPTYOSAPB-JTQLQIEISA-N 0 0 321.764 3.070 20 10 DGCDRN COc1ccc(CNCc2cc(C(F)(F)F)n(C)n2)cc1C ZINC000898022537 619207091 /nfs/dbraw/zinc/20/70/91/619207091.db2.gz IVOFDJQUGVAAIF-UHFFFAOYSA-N 0 0 313.323 3.046 20 10 DGCDRN CCc1[nH]nc(Cl)c1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898216197 619222450 /nfs/dbraw/zinc/22/24/50/619222450.db2.gz WEAFTGDHYXXMJX-UHFFFAOYSA-N 0 0 300.189 3.274 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCOC2(CCC2)C1 ZINC000898277298 619231651 /nfs/dbraw/zinc/23/16/51/619231651.db2.gz MCKSOFJHMFHDEY-LLVKDONJSA-N 0 0 309.793 3.011 20 10 DGCDRN CC[C@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000926963145 619253314 /nfs/dbraw/zinc/25/33/14/619253314.db2.gz MNXFMVFQRRQRKP-JSGCOSHPSA-N 0 0 322.346 3.455 20 10 DGCDRN COC(=O)C1CCC([NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000898610881 619288273 /nfs/dbraw/zinc/28/82/73/619288273.db2.gz HAIAWXXPACFEHI-UHFFFAOYSA-N 0 0 315.772 3.006 20 10 DGCDRN O=C(NCC[C@H]1CCSC1)c1cc2cc(O)c(O)cc2s1 ZINC000899155346 619315529 /nfs/dbraw/zinc/31/55/29/619315529.db2.gz ZESZYXYYEGFQEP-VIFPVBQESA-N 0 0 323.439 3.186 20 10 DGCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H](CF)C1 ZINC000899207715 619318971 /nfs/dbraw/zinc/31/89/71/619318971.db2.gz ZEESREJFBRGHGE-SECBINFHSA-N 0 0 309.362 3.134 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Cc2sc(C)cc2C)c1 ZINC000901128265 619473371 /nfs/dbraw/zinc/47/33/71/619473371.db2.gz VCDBTTCUVNITSL-GFCCVEGCSA-N 0 0 319.426 3.499 20 10 DGCDRN O=C(CC[C@@H]1CCc2ccccc21)NCc1ccc(O)c(O)c1 ZINC000901131358 619474055 /nfs/dbraw/zinc/47/40/55/619474055.db2.gz JELJHYAWZOJKAD-HNNXBMFYSA-N 0 0 311.381 3.224 20 10 DGCDRN C[C@H](N[C@H]1C[NH2+]CC1(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000902450806 619639965 /nfs/dbraw/zinc/63/99/65/619639965.db2.gz UMIZMNYLNRUNIB-KWQFWETISA-N 0 0 303.233 3.348 20 10 DGCDRN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cnn(CCF)c2)c1O ZINC000903273650 619750557 /nfs/dbraw/zinc/75/05/57/619750557.db2.gz BXJAFUGBFWRRLF-NSHDSACASA-N 0 0 311.788 3.371 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H]1CCN1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000903316239 619758656 /nfs/dbraw/zinc/75/86/56/619758656.db2.gz BSXMSOUKWGREEP-BXKDBHETSA-N 0 0 303.233 3.444 20 10 DGCDRN CC[C@H]([NH2+]Cc1ccc(CCO)cc1)c1ccc(F)cc1[O-] ZINC000903404211 619770993 /nfs/dbraw/zinc/77/09/93/619770993.db2.gz YEUZLQMKIJPHNQ-KRWDZBQOSA-N 0 0 303.377 3.307 20 10 DGCDRN CC(C)[C@@H]1C[C@@H](c2nc(Cc3ccc(N)cc3)no2)CCO1 ZINC000904504725 619925935 /nfs/dbraw/zinc/92/59/35/619925935.db2.gz SBWHEMGJRHJOPF-ZFWWWQNUSA-N 0 0 301.390 3.161 20 10 DGCDRN CCCOc1ccccc1NC[C@H](O)CC1(CO)CCCC1 ZINC000905301059 619988171 /nfs/dbraw/zinc/98/81/71/619988171.db2.gz MQNQVQFMPMNHGP-OAHLLOKOSA-N 0 0 307.434 3.191 20 10 DGCDRN Cc1cc(C)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(C)n1 ZINC000905449442 619997502 /nfs/dbraw/zinc/99/75/02/619997502.db2.gz WNEVWKGWMFJRBN-UHFFFAOYSA-N 0 0 311.429 3.345 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)[C@H]1CCCO1 ZINC000906345775 620088331 /nfs/dbraw/zinc/08/83/31/620088331.db2.gz VUTQNHKIRXAIRH-CRAIPNDOSA-N 0 0 318.461 3.305 20 10 DGCDRN CC12C[C@H]3C[C@@H](C1)CC(C(=O)NCc1ccc(O)c(O)c1)(C3)C2 ZINC000907059221 620135968 /nfs/dbraw/zinc/13/59/68/620135968.db2.gz GUWCNLTXZNFQHT-BAUKFBFWSA-N 0 0 315.413 3.321 20 10 DGCDRN O=S(=O)(CCc1ccccc1)Nc1ccc(O)c(Cl)c1 ZINC000149453278 620172266 /nfs/dbraw/zinc/17/22/66/620172266.db2.gz NJAHNLWYXDHCIX-UHFFFAOYSA-N 0 0 311.790 3.030 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1nnc(C2CC2)o1 ZINC000908045370 620187698 /nfs/dbraw/zinc/18/76/98/620187698.db2.gz MNNBMKFASNUFRE-UHFFFAOYSA-N 0 0 315.373 3.095 20 10 DGCDRN COC(=O)c1cc(CN2CCCc3cc(OC)ccc32)oc1C ZINC000027959733 620264260 /nfs/dbraw/zinc/26/42/60/620264260.db2.gz RTYIFNGFNDNARN-UHFFFAOYSA-N 0 0 315.369 3.336 20 10 DGCDRN C[C@H](CCc1ccc(F)cc1)C(=O)NCc1ccc(O)cc1O ZINC000910958155 620318860 /nfs/dbraw/zinc/31/88/60/620318860.db2.gz XOPRAACUDXLDFQ-GFCCVEGCSA-N 0 0 317.360 3.122 20 10 DGCDRN Nc1ccc(NC(=O)C[C@@H]2CCC[C@@H](C(F)(F)F)O2)cc1 ZINC000911659848 620339530 /nfs/dbraw/zinc/33/95/30/620339530.db2.gz FQHBLCHJZGJCCJ-RYUDHWBXSA-N 0 0 302.296 3.097 20 10 DGCDRN CCCCS(=O)(=O)N(Cc1ccccc1O)C1CCCC1 ZINC000151326396 620441109 /nfs/dbraw/zinc/44/11/09/620441109.db2.gz DVDVBEXMVFNDNQ-UHFFFAOYSA-N 0 0 311.447 3.267 20 10 DGCDRN Cc1cc(C(=O)N2CCn3ccnc32)c(C)n1-c1cccc(C)c1 ZINC000913672863 620470125 /nfs/dbraw/zinc/47/01/25/620470125.db2.gz HFWHHBUHJBALBJ-UHFFFAOYSA-N 0 0 320.396 3.259 20 10 DGCDRN C[C@H](NCc1nncn1C)c1ccc(N2CCCCCC2)cc1 ZINC000152332359 620501841 /nfs/dbraw/zinc/50/18/41/620501841.db2.gz IXHRFYQLSOHQJD-HNNXBMFYSA-N 0 0 313.449 3.046 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)/C=C/SCc1ccco1 ZINC000152587698 620513659 /nfs/dbraw/zinc/51/36/59/620513659.db2.gz USTPCMNSCDHVBL-CSKARUKUSA-N 0 0 303.383 3.391 20 10 DGCDRN Cc1cc(CNC(=O)NCc2ccc(N(C)C)cc2)ccc1F ZINC000031728224 620528910 /nfs/dbraw/zinc/52/89/10/620528910.db2.gz KVFXWJYCCJNDAT-UHFFFAOYSA-N 0 0 315.392 3.200 20 10 DGCDRN CCCn1c(Sc2nccs2)nnc1-c1ccncc1 ZINC000914863014 620558148 /nfs/dbraw/zinc/55/81/48/620558148.db2.gz TXTBGTJNVBTSQX-UHFFFAOYSA-N 0 0 303.416 3.358 20 10 DGCDRN CCN(C)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1 ZINC000153607807 620584571 /nfs/dbraw/zinc/58/45/71/620584571.db2.gz IZEQFSPFTIGFSY-UHFFFAOYSA-N 0 0 310.319 3.372 20 10 DGCDRN CCOCCCC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000915636056 620591928 /nfs/dbraw/zinc/59/19/28/620591928.db2.gz BVKPSWWCTOOKNG-UHFFFAOYSA-N 0 0 306.450 3.308 20 10 DGCDRN CCCCO[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000920878835 620826313 /nfs/dbraw/zinc/82/63/13/620826313.db2.gz MBWJDTXUTOYEDZ-HNNXBMFYSA-N 0 0 318.461 3.449 20 10 DGCDRN CSC(C)(C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000854947548 620855992 /nfs/dbraw/zinc/85/59/92/620855992.db2.gz AKYHNFDORDOXGJ-ZDUSSCGKSA-N 0 0 308.491 3.250 20 10 DGCDRN COc1ccc(N(CC(=O)N(C)C2CC2)Cc2ccccc2)cc1 ZINC000112976331 620868056 /nfs/dbraw/zinc/86/80/56/620868056.db2.gz IBVWJMMVLRIOII-UHFFFAOYSA-N 0 0 324.424 3.323 20 10 DGCDRN O=C(N[C@@H](c1ccccc1)C1(CO)CCC1)C1=CC(=O)CS1 ZINC000855114826 620870370 /nfs/dbraw/zinc/87/03/70/620870370.db2.gz MRCFFALJWIHELZ-HNNXBMFYSA-N 0 0 317.410 3.087 20 10 DGCDRN CCCC[C@](C)(F)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855226888 620881774 /nfs/dbraw/zinc/88/17/74/620881774.db2.gz VGFFYITWQZKOCE-KSSFIOAISA-N 0 0 322.424 3.309 20 10 DGCDRN CC[C@@H](CC(C)C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855222825 620881841 /nfs/dbraw/zinc/88/18/41/620881841.db2.gz AZUDLAYSFOBQRU-JKSUJKDBSA-N 0 0 318.461 3.462 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCCC3(C)C)C2)cc1 ZINC000855223611 620881968 /nfs/dbraw/zinc/88/19/68/620881968.db2.gz BKVXYFIYBNXOAA-PBHICJAKSA-N 0 0 316.445 3.216 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)C3(C)CCCCC3)C2)cc1 ZINC000855227993 620882296 /nfs/dbraw/zinc/88/22/96/620882296.db2.gz SSRKXJRNFWITHO-HNNXBMFYSA-N 0 0 316.445 3.361 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)C3=CCCCCC3)C2)cc1 ZINC000855228046 620882349 /nfs/dbraw/zinc/88/23/49/620882349.db2.gz UKNGIKJTXHFANQ-MRXNPFEDSA-N 0 0 314.429 3.281 20 10 DGCDRN CCC(CC)CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855233749 620882478 /nfs/dbraw/zinc/88/24/78/620882478.db2.gz MHXNFCQMQOWPBY-OAHLLOKOSA-N 0 0 304.434 3.216 20 10 DGCDRN CCCC[C@@H](C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855227526 620882498 /nfs/dbraw/zinc/88/24/98/620882498.db2.gz ZLZKPOODRIPEDH-CABCVRRESA-N 0 0 304.434 3.216 20 10 DGCDRN CC[C@@H]1C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCS1 ZINC000769447581 620885712 /nfs/dbraw/zinc/88/57/12/620885712.db2.gz SNBWKBLCYAGOIF-LLVKDONJSA-N 0 0 316.810 3.281 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)CO[C@@H]2CCCC[C@H]2C)c1 ZINC000113429554 620909573 /nfs/dbraw/zinc/90/95/73/620909573.db2.gz UYILMSSNWXKEOY-IIYDPXPESA-N 0 0 321.417 3.173 20 10 DGCDRN COCCN(CCF)C(=O)c1sccc1-n1c(C)ccc1C ZINC000855588867 620916609 /nfs/dbraw/zinc/91/66/09/620916609.db2.gz WXZPCAKNTWDWSD-UHFFFAOYSA-N 0 0 324.421 3.214 20 10 DGCDRN C[C@H](NC(=O)CSC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773021829 620938415 /nfs/dbraw/zinc/93/84/15/620938415.db2.gz TUHBDYMKHQYGGP-VIFPVBQESA-N 0 0 306.353 3.183 20 10 DGCDRN Cc1ccc(CC2CN(C(=O)/C=C\c3ccc(O)c(O)c3)C2)cc1 ZINC000855864683 620944593 /nfs/dbraw/zinc/94/45/93/620944593.db2.gz SAIWXLNLXCNCBC-CLFYSBASSA-N 0 0 323.392 3.121 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccccc2F)c1 ZINC000756354386 620959657 /nfs/dbraw/zinc/95/96/57/620959657.db2.gz AAAFUPAPIWEXSP-LLVKDONJSA-N 0 0 303.333 3.169 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccccc2F)c1 ZINC000756354387 620959770 /nfs/dbraw/zinc/95/97/70/620959770.db2.gz AAAFUPAPIWEXSP-NSHDSACASA-N 0 0 303.333 3.169 20 10 DGCDRN CCCC[C@H](C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856213534 620972539 /nfs/dbraw/zinc/97/25/39/620972539.db2.gz POCHTNQLLIKXMI-HNNXBMFYSA-N 0 0 318.461 3.090 20 10 DGCDRN CC[C@@H](CC(F)(F)F)NC(=O)NCc1c(O)cccc1F ZINC000921973637 620975884 /nfs/dbraw/zinc/97/58/84/620975884.db2.gz QLSGAPRNOKEJOJ-QMMMGPOBSA-N 0 0 308.275 3.062 20 10 DGCDRN C[C@@H](NC(=O)NC[C@@]1(C)CCCCO1)c1ccc(N(C)C)cc1 ZINC000922056250 620984244 /nfs/dbraw/zinc/98/42/44/620984244.db2.gz WYUAJCOPZPMRLP-RDTXWAMCSA-N 0 0 319.449 3.072 20 10 DGCDRN Cc1ccc(C(=O)N2CC3(CCC3)[C@H]2c2ccncc2)c(O)c1O ZINC000856492135 620999372 /nfs/dbraw/zinc/99/93/72/620999372.db2.gz KJFMQGPOSLNPDU-QGZVFWFLSA-N 0 0 324.380 3.169 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)c1 ZINC000114542307 621009306 /nfs/dbraw/zinc/00/93/06/621009306.db2.gz PXIABFHFVRSOAM-UHFFFAOYSA-N 0 0 324.380 3.429 20 10 DGCDRN CCOc1cncc(/C=C2\SC(=S)N(C3CCC3)C2=O)c1 ZINC000856718019 621010603 /nfs/dbraw/zinc/01/06/03/621010603.db2.gz IERJHVITBNDLDF-QPEQYQDCSA-N 0 0 320.439 3.234 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2[nH]c(C)nc2C)cc1 ZINC000856746358 621015109 /nfs/dbraw/zinc/01/51/09/621015109.db2.gz WEBVVRKXZYFFGW-UHFFFAOYSA-N 0 0 314.433 3.145 20 10 DGCDRN C[C@@H](NC(=O)Nc1ccnc(F)c1F)c1ccc(N(C)C)cc1 ZINC000856909108 621032846 /nfs/dbraw/zinc/03/28/46/621032846.db2.gz YQGWJKQRGURKGH-SNVBAGLBSA-N 0 0 320.343 3.309 20 10 DGCDRN Cc1cccc(NC(=S)NNc2ccc3c(cc[nH]c3=O)c2)c1 ZINC000789319507 625459308 /nfs/dbraw/zinc/45/93/08/625459308.db2.gz JIOIPMASILTAHR-UHFFFAOYSA-N 0 0 324.409 3.150 20 10 DGCDRN CC1CC(CNC(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000857007785 621043543 /nfs/dbraw/zinc/04/35/43/621043543.db2.gz USDCKZCDNGGOKK-UHFFFAOYSA-N 0 0 315.442 3.092 20 10 DGCDRN CCOc1cncc(CN(C)c2ccc(OC)c(OC)c2)c1 ZINC000857039584 621049264 /nfs/dbraw/zinc/04/92/64/621049264.db2.gz ONKGGDIOUDWYHQ-UHFFFAOYSA-N 0 0 302.374 3.134 20 10 DGCDRN CCOc1cccc(CN[C@H]2c3ccccc3OC[C@@H]2F)c1O ZINC000922524002 621050779 /nfs/dbraw/zinc/05/07/79/621050779.db2.gz ANUJINWNGPLOGA-YOEHRIQHSA-N 0 0 317.360 3.352 20 10 DGCDRN [NH3+][C@@]12CCC[C@H]1CN(Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC000857226190 621071596 /nfs/dbraw/zinc/07/15/96/621071596.db2.gz HEZVXNRECLIZAQ-IINYFYTJSA-N 0 0 301.217 3.012 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)OCCC(C)C ZINC000115280975 621094484 /nfs/dbraw/zinc/09/44/84/621094484.db2.gz PDTIZFDTNRTMMA-OAHLLOKOSA-N 0 0 306.450 3.128 20 10 DGCDRN CC(C)Oc1cc(C(=O)NCc2cc(Cl)ccc2O)ccn1 ZINC000857547896 621095515 /nfs/dbraw/zinc/09/55/15/621095515.db2.gz ZHHWYBJYNLEAKB-UHFFFAOYSA-N 0 0 320.776 3.158 20 10 DGCDRN Cc1ccc(CNC(=O)NCCCSc2nccs2)cc1 ZINC000115633161 621119498 /nfs/dbraw/zinc/11/94/98/621119498.db2.gz JOASVEQMVPHFJU-UHFFFAOYSA-N 0 0 321.471 3.433 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCc1cccs1 ZINC000115642247 621120995 /nfs/dbraw/zinc/12/09/95/621120995.db2.gz MADLLISCHDCPCY-UHFFFAOYSA-N 0 0 303.431 3.122 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1cc(F)cc(F)c1[O-] ZINC000756477278 621126112 /nfs/dbraw/zinc/12/61/12/621126112.db2.gz XDSFEVWLQLDOCG-RFAUZJTJSA-N 0 0 311.303 3.194 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(CC1CC1)CC1CC1 ZINC000115856136 621152846 /nfs/dbraw/zinc/15/28/46/621152846.db2.gz CZCCRTYIKOIPFH-UHFFFAOYSA-N 0 0 315.461 3.393 20 10 DGCDRN CN(C)c1cc(F)c(CN[C@@](C)(CO)c2ccccc2)cc1F ZINC000858138641 621156595 /nfs/dbraw/zinc/15/65/95/621156595.db2.gz GUULBOTZLDGVBL-SFHVURJKSA-N 0 0 320.383 3.028 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCCO[C@H]2CCCC[C@H]2C)c1 ZINC000858153239 621159198 /nfs/dbraw/zinc/15/91/98/621159198.db2.gz JRUNLSSIPHLQGL-PBHICJAKSA-N 0 0 320.433 3.095 20 10 DGCDRN COCCc1ccnc(NCc2cc(F)c(N(C)C)cc2F)c1 ZINC000858162641 621160760 /nfs/dbraw/zinc/16/07/60/621160760.db2.gz JBHAPMAJULMNMU-UHFFFAOYSA-N 0 0 321.371 3.227 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCc3ccc(F)cc32)c1 ZINC000858201136 621164374 /nfs/dbraw/zinc/16/43/74/621164374.db2.gz SYFAJIBZEFXISM-MRXNPFEDSA-N 0 0 314.360 3.326 20 10 DGCDRN Cc1cc(CNC(=O)NCC(F)F)c(C)n1-c1ccccc1 ZINC000858262956 621170340 /nfs/dbraw/zinc/17/03/40/621170340.db2.gz SLJJQMLLRLNEQD-UHFFFAOYSA-N 0 0 307.344 3.158 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1nccnc1F ZINC000858327425 621176153 /nfs/dbraw/zinc/17/61/53/621176153.db2.gz QSTKFIOAFMUWEW-UHFFFAOYSA-N 0 0 300.381 3.242 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N3CCC[C@@](C)(F)C3)ccc21 ZINC000838032039 621203384 /nfs/dbraw/zinc/20/33/84/621203384.db2.gz VMRRWOHDJPCILE-GOSISDBHSA-N 0 0 319.424 3.103 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N[C@H]3CCC[C@@H]4C[C@@H]43)ccc21 ZINC000838031955 621203418 /nfs/dbraw/zinc/20/34/18/621203418.db2.gz SUMTVZKQOISFCE-PVAVHDDUSA-N 0 0 313.445 3.057 20 10 DGCDRN COc1ccc2nc(/C=C3\SC(=S)N(C)C3=O)sc2c1 ZINC000788680569 621204219 /nfs/dbraw/zinc/20/42/19/621204219.db2.gz OBDVHUDDYCFLKF-POHAHGRESA-N 0 0 322.436 3.136 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCC[C@]2(C)C[C@@]2(F)Cl)c1 ZINC000858584319 621207069 /nfs/dbraw/zinc/20/70/69/621207069.db2.gz RIYGLJKAISVMGD-CABCVRRESA-N 0 0 314.788 3.205 20 10 DGCDRN CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2ccc(Br)cc2O)C1 ZINC000858592625 621208124 /nfs/dbraw/zinc/20/81/24/621208124.db2.gz HDHNMDNSCALXNG-JBLDHEPKSA-N 0 0 314.223 3.230 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Cc2ccc(C=O)cc2)cc1 ZINC000858604893 621209453 /nfs/dbraw/zinc/20/94/53/621209453.db2.gz LZRJLQRCGYACGH-UHFFFAOYSA-N 0 0 324.424 3.204 20 10 DGCDRN CCC1(c2ccccc2)CN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000838189092 621221500 /nfs/dbraw/zinc/22/15/00/621221500.db2.gz KWYIEIDMWZRADV-UHFFFAOYSA-N 0 0 311.381 3.210 20 10 DGCDRN CC(C)(NCc1ccc(N2CCOCC2)cc1)c1nccs1 ZINC000116381141 621225433 /nfs/dbraw/zinc/22/54/33/621225433.db2.gz POENNLMPMWFVRL-UHFFFAOYSA-N 0 0 317.458 3.005 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NCC(C)(C)C2=CCCC2)c1 ZINC000838474561 621257853 /nfs/dbraw/zinc/25/78/53/621257853.db2.gz MFHALISCFWYJJV-UHFFFAOYSA-N 0 0 318.417 3.337 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NCC(C)(C)C(C)(C)C)c1 ZINC000838474237 621257872 /nfs/dbraw/zinc/25/78/72/621257872.db2.gz HOPMUCZAUFLPSG-UHFFFAOYSA-N 0 0 308.422 3.272 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NCC(C)(C)C2CCC2)c1 ZINC000838474249 621257942 /nfs/dbraw/zinc/25/79/42/621257942.db2.gz HSGQNHUYSHCKOX-UHFFFAOYSA-N 0 0 306.406 3.026 20 10 DGCDRN CC[C@H]1CCC[C@@H]1CNC(=O)NCc1cc(OC)ccc1O ZINC000838474316 621257991 /nfs/dbraw/zinc/25/79/91/621257991.db2.gz IDZGXJCEDARDDE-QWHCGFSZSA-N 0 0 306.406 3.026 20 10 DGCDRN COc1ccc(N(CCOC2CCOCC2)C(C)C)cc1F ZINC000859185299 621258295 /nfs/dbraw/zinc/25/82/95/621258295.db2.gz MBSKQYJRGURCAF-UHFFFAOYSA-N 0 0 311.397 3.245 20 10 DGCDRN CC(C)C[C@@H]1C[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000838486818 621259341 /nfs/dbraw/zinc/25/93/41/621259341.db2.gz STCMCKWNWNPMQM-SJLPKXTDSA-N 0 0 313.445 3.297 20 10 DGCDRN COCCN(Cc1ccncc1C)c1ccc(OC)c(OC)c1 ZINC000859196560 621259449 /nfs/dbraw/zinc/25/94/49/621259449.db2.gz ZYKZPRJVWCCTNI-UHFFFAOYSA-N 0 0 316.401 3.060 20 10 DGCDRN CC(C)(C)C1CN(C(=O)NCCCSc2nccs2)C1 ZINC000838512854 621261826 /nfs/dbraw/zinc/26/18/26/621261826.db2.gz AJDUDTAULKDIIC-UHFFFAOYSA-N 0 0 313.492 3.313 20 10 DGCDRN COC[C@@H]1CCCCN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000838558888 621263015 /nfs/dbraw/zinc/26/30/15/621263015.db2.gz HQXBWCIHLRHLDL-PBHICJAKSA-N 0 0 319.449 3.024 20 10 DGCDRN C[C@H](NCc1noc(C2CCC2)n1)c1ccc(N(C)C)cc1 ZINC000859258336 621265580 /nfs/dbraw/zinc/26/55/80/621265580.db2.gz MTXXYTYKBYSPBC-LBPRGKRZSA-N 0 0 300.406 3.254 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CC[C@@H](C)O1 ZINC000838743658 621274637 /nfs/dbraw/zinc/27/46/37/621274637.db2.gz YBEJLOLXAGUABM-GDBMZVCRSA-N 0 0 320.433 3.271 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1C[C@@H](OC(C)C)C1 ZINC000838747334 621274878 /nfs/dbraw/zinc/27/48/78/621274878.db2.gz IZTLRRWIDMXEFN-IYBDPMFKSA-N 0 0 320.433 3.270 20 10 DGCDRN COc1ccc(N(C)Cc2cc(=O)[nH]c(C3CC3)n2)cc1Cl ZINC000838868924 621293964 /nfs/dbraw/zinc/29/39/64/621293964.db2.gz HFYFDLWTERJYST-UHFFFAOYSA-N 0 0 319.792 3.358 20 10 DGCDRN C[C@H]1C[C@@H]1COC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000859633299 621301829 /nfs/dbraw/zinc/30/18/29/621301829.db2.gz XNCRRLPULXGBIA-CMPLNLGQSA-N 0 0 302.399 3.129 20 10 DGCDRN Cc1c(N)cccc1NC(=O)NCCCSc1nccs1 ZINC000859728594 621314939 /nfs/dbraw/zinc/31/49/39/621314939.db2.gz ZQOCMQYXRREEQG-UHFFFAOYSA-N 0 0 322.459 3.338 20 10 DGCDRN CCOC1CN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000839131294 621338999 /nfs/dbraw/zinc/33/89/99/621338999.db2.gz QYMQWPXKZLGGPH-UHFFFAOYSA-N 0 0 313.397 3.192 20 10 DGCDRN FC(F)COC1CN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000839140930 621340606 /nfs/dbraw/zinc/34/06/06/621340606.db2.gz REXWWKLLXSAFPE-UHFFFAOYSA-N 0 0 310.388 3.143 20 10 DGCDRN COCCC1(C)C[NH+](Cc2cccc(Br)c2[O-])C1 ZINC000839143027 621340947 /nfs/dbraw/zinc/34/09/47/621340947.db2.gz NTNCSZXWEXBBLS-UHFFFAOYSA-N 0 0 314.223 3.013 20 10 DGCDRN COc1ccc2c(c1)CC[C@@H]2C(=O)N(C)Cc1ccccc1O ZINC000860048380 621358081 /nfs/dbraw/zinc/35/80/81/621358081.db2.gz UJIQVOGZHPDUNK-KRWDZBQOSA-N 0 0 311.381 3.089 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1[nH]c(C)c(C=O)c1C ZINC000860049033 621359015 /nfs/dbraw/zinc/35/90/15/621359015.db2.gz OUNVDYNILOMFCU-UHFFFAOYSA-N 0 0 314.385 3.202 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000860243484 621385945 /nfs/dbraw/zinc/38/59/45/621385945.db2.gz OBWZMZHKRVUZOB-HZPDHXFCSA-N 0 0 311.381 3.298 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CSC[C@@H]2C)cc1 ZINC000804967332 621391164 /nfs/dbraw/zinc/39/11/64/621391164.db2.gz OJFLDSKOCWHQIS-BBRMVZONSA-N 0 0 321.490 3.084 20 10 DGCDRN O=C(OC[C@@H]1CCCO1)N(Cc1ccccc1O)C1CCCC1 ZINC000805010852 621393324 /nfs/dbraw/zinc/39/33/24/621393324.db2.gz NKRMZSJJCACFDH-INIZCTEOSA-N 0 0 319.401 3.452 20 10 DGCDRN CCC1(NC(=O)NCc2ccc3c(c2)CCCN3C)CCC1 ZINC000752916837 621415748 /nfs/dbraw/zinc/41/57/48/621415748.db2.gz SMTYKBYLTUNPTE-UHFFFAOYSA-N 0 0 301.434 3.201 20 10 DGCDRN CC1CC(NC(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC000753025426 621420820 /nfs/dbraw/zinc/42/08/20/621420820.db2.gz WMIWTHWCDJZZJS-UHFFFAOYSA-N 0 0 314.385 3.496 20 10 DGCDRN Cc1cccc(-n2cc(C(=O)CSc3nccs3)nn2)c1 ZINC000753059205 621422329 /nfs/dbraw/zinc/42/23/29/621422329.db2.gz FZDZFBYLBJYBDD-UHFFFAOYSA-N 0 0 316.411 3.007 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CC[C@H](C(C)(C)C)C2)cc1F ZINC000753152613 621428366 /nfs/dbraw/zinc/42/83/66/621428366.db2.gz YEGNHBAQHUGRAN-AWEZNQCLSA-N 0 0 321.440 3.469 20 10 DGCDRN Cc1cc(C(=O)Nc2nc(C)ccc2O)c(C)n1-c1ccccn1 ZINC000753470366 621441877 /nfs/dbraw/zinc/44/18/77/621441877.db2.gz OGSGBVDLCYVYES-UHFFFAOYSA-N 0 0 322.368 3.150 20 10 DGCDRN Cc1ccc(-n2cccn2)cc1NC(=O)NCc1ccccc1O ZINC000789406393 625489683 /nfs/dbraw/zinc/48/96/83/625489683.db2.gz VNKKDOPOEJDXLM-UHFFFAOYSA-N 0 0 322.368 3.208 20 10 DGCDRN COc1ccc(N2CCN(C(=O)/C=C3\CC[C@@H](C)C3)CC2)cc1 ZINC000753561957 621448794 /nfs/dbraw/zinc/44/87/94/621448794.db2.gz FUXFWIIOTNXETP-DPEHCCBOSA-N 0 0 314.429 3.090 20 10 DGCDRN COc1ccc(N2CCN(C(=O)/C=C3\CC[C@H](C)C3)CC2)cc1 ZINC000753561958 621448857 /nfs/dbraw/zinc/44/88/57/621448857.db2.gz FUXFWIIOTNXETP-IDTYTIONSA-N 0 0 314.429 3.090 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)C2CC(F)(F)C2)C2CC2)cc1 ZINC000753586022 621451916 /nfs/dbraw/zinc/45/19/16/621451916.db2.gz XSFYRVBMIBJPKY-UHFFFAOYSA-N 0 0 308.372 3.289 20 10 DGCDRN CCCc1csc(NC(=O)NCc2cc(C)ccc2O)n1 ZINC000860884616 621454787 /nfs/dbraw/zinc/45/47/87/621454787.db2.gz SQXXFCNBAHUJTR-UHFFFAOYSA-N 0 0 305.403 3.431 20 10 DGCDRN C[C@@H](NC(=O)c1ocnc1C(F)F)c1ccc(N(C)C)cc1 ZINC000860949711 621461489 /nfs/dbraw/zinc/46/14/89/621461489.db2.gz BANUFKNSJSJCGG-SECBINFHSA-N 0 0 309.316 3.169 20 10 DGCDRN COc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1F ZINC000753857091 621468784 /nfs/dbraw/zinc/46/87/84/621468784.db2.gz JOYCMEGHRQZWLQ-UHFFFAOYSA-N 0 0 318.367 3.296 20 10 DGCDRN COc1ccc(N2CCN(Cc3cccc(F)c3)CC2)cc1F ZINC000753861526 621469178 /nfs/dbraw/zinc/46/91/78/621469178.db2.gz RJEVJVAUXKOXGR-UHFFFAOYSA-N 0 0 318.367 3.296 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C2(OC)CCCC2)cc1 ZINC000754179735 621494125 /nfs/dbraw/zinc/49/41/25/621494125.db2.gz AKYFZNLMPQJYSR-UHFFFAOYSA-N 0 0 304.434 3.108 20 10 DGCDRN COc1cccc(CNC(=O)CC2CC(OC(C)(C)C)C2)c1O ZINC000754209267 621496977 /nfs/dbraw/zinc/49/69/77/621496977.db2.gz ZVEUILCZNZAYCZ-UHFFFAOYSA-N 0 0 321.417 3.001 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C=C\c1ccc(C)nc1)C[C@H](C)O2 ZINC000754317056 621502683 /nfs/dbraw/zinc/50/26/83/621502683.db2.gz KGPJNMWSVWPVIT-PIZKADEWSA-N 0 0 324.380 3.226 20 10 DGCDRN Cc1ccc(/C=C/C(=O)N2CCCc3c([N+](=O)[O-])cccc32)cn1 ZINC000754386736 621507603 /nfs/dbraw/zinc/50/76/03/621507603.db2.gz WQCSRDZIWUEQFQ-MDZDMXLPSA-N 0 0 323.352 3.291 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC(C)(F)C1 ZINC000861434437 621514529 /nfs/dbraw/zinc/51/45/29/621514529.db2.gz MKSPUCWQUUBWQZ-UHFFFAOYSA-N 0 0 314.360 3.091 20 10 DGCDRN CCN(Cc1ccc(OC)nc1)c1ccc(OC)c(OC)c1 ZINC000754638692 621521510 /nfs/dbraw/zinc/52/15/10/621521510.db2.gz CXSGIEYJHCGAIE-UHFFFAOYSA-N 0 0 302.374 3.134 20 10 DGCDRN COC(=O)c1ccc(NCCCSc2nccs2)nc1C ZINC000754675545 621524116 /nfs/dbraw/zinc/52/41/16/621524116.db2.gz ORGLHQWPXXKCII-UHFFFAOYSA-N 0 0 323.443 3.227 20 10 DGCDRN Cc1cocc1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000862003113 621549887 /nfs/dbraw/zinc/54/98/87/621549887.db2.gz YTQBRDNQCGZJBY-AWEZNQCLSA-N 0 0 300.402 3.323 20 10 DGCDRN Cc1[nH]nc(C(C)C)c1C(=O)NCc1ccc2cccnc2c1O ZINC000862026995 621551253 /nfs/dbraw/zinc/55/12/53/621551253.db2.gz GLOMJBSVUPWKAM-UHFFFAOYSA-N 0 0 324.384 3.025 20 10 DGCDRN CCN(Cc1ccccn1)Cc1cc(F)c(N(C)C)cc1F ZINC000862244019 621566629 /nfs/dbraw/zinc/56/66/29/621566629.db2.gz IBUQTYFWMMKVNB-UHFFFAOYSA-N 0 0 305.372 3.448 20 10 DGCDRN COc1cc(N(C)C[C@@]2(C)CCCS2)cc(OC)c1OC ZINC000862306286 621573575 /nfs/dbraw/zinc/57/35/75/621573575.db2.gz IIFVALNBRUPXOO-MRXNPFEDSA-N 0 0 311.447 3.434 20 10 DGCDRN Oc1cccc(Br)c1CN1CCC[C@@H]1c1ncc[nH]1 ZINC000862327072 621574099 /nfs/dbraw/zinc/57/40/99/621574099.db2.gz XRJSMQLPLSJEOA-GFCCVEGCSA-N 0 0 322.206 3.215 20 10 DGCDRN CN(C)c1cc(F)c(CN2CCOCC3(CCC3)C2)cc1F ZINC000862326229 621574287 /nfs/dbraw/zinc/57/42/87/621574287.db2.gz LDXOJORHGWAKOF-UHFFFAOYSA-N 0 0 310.388 3.033 20 10 DGCDRN C[C@@H]1CN(Cc2c(O)cccc2Br)[C@@H](C)[C@@H](C)O1 ZINC000862337551 621575860 /nfs/dbraw/zinc/57/58/60/621575860.db2.gz WYVPKAQWTFZCIK-OUAUKWLOSA-N 0 0 314.223 3.152 20 10 DGCDRN C[C@@H]1CN(Cc2cc(F)c(N(C)C)cc2F)C[C@H](C2CC2)O1 ZINC000862352111 621576877 /nfs/dbraw/zinc/57/68/77/621576877.db2.gz ZFGVUZYHTNJTKQ-PIGZYNQJSA-N 0 0 310.388 3.030 20 10 DGCDRN CCOC(=O)CN(Cc1ccccc1O)C[C@]1(C)CCCS1 ZINC000862397953 621584408 /nfs/dbraw/zinc/58/44/08/621584408.db2.gz RLTOYKOFQZGSCA-KRWDZBQOSA-N 0 0 323.458 3.043 20 10 DGCDRN Oc1cccc(Br)c1Cn1cnc2c1CCCC2 ZINC000862431204 621588666 /nfs/dbraw/zinc/58/86/66/621588666.db2.gz FYNQECBIPIXZFY-UHFFFAOYSA-N 0 0 307.191 3.278 20 10 DGCDRN COc1cc(Cl)cc(C[NH2+]Cc2cc(C)ccc2O)c1O ZINC000862476252 621593196 /nfs/dbraw/zinc/59/31/96/621593196.db2.gz NNTYXWKKJHCDQQ-UHFFFAOYSA-N 0 0 307.777 3.358 20 10 DGCDRN FCC[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000862529379 621596966 /nfs/dbraw/zinc/59/69/66/621596966.db2.gz CQJYQUPXBADMHD-SFHVURJKSA-N 0 0 306.425 3.237 20 10 DGCDRN CCOc1ccc(O)c(CN2CCOc3cc(F)ccc3C2)c1 ZINC000862550282 621600883 /nfs/dbraw/zinc/60/08/83/621600883.db2.gz KVBWNICRBXAMHF-UHFFFAOYSA-N 0 0 317.360 3.325 20 10 DGCDRN COc1ccc2c(c1)CC[C@H]2C(=O)NCc1cc(C)ccc1O ZINC000862753025 621613203 /nfs/dbraw/zinc/61/32/03/621613203.db2.gz AAQNLTQUMIHROH-QGZVFWFLSA-N 0 0 311.381 3.055 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)C2(c3ccc(N(C)C)cc3)CC2)c1 ZINC000862755438 621613679 /nfs/dbraw/zinc/61/36/79/621613679.db2.gz SMILYEHNLJNRFK-UHFFFAOYSA-N 0 0 324.424 3.115 20 10 DGCDRN CC[C@H](Oc1cccc(C)c1)C(=O)NCc1cc(C)ccc1O ZINC000862758213 621614240 /nfs/dbraw/zinc/61/42/40/621614240.db2.gz SREVYZHUNJLFKX-SFHVURJKSA-N 0 0 313.397 3.483 20 10 DGCDRN COc1ccc(CCCC(=O)NCc2cc(C)ccc2O)cc1 ZINC000862759053 621614404 /nfs/dbraw/zinc/61/44/04/621614404.db2.gz TYTWQBWSBMONER-UHFFFAOYSA-N 0 0 313.397 3.348 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)COc2c(C)cc(C)cc2C)c1 ZINC000862761784 621614669 /nfs/dbraw/zinc/61/46/69/621614669.db2.gz XRBWBCRKCKYXDR-UHFFFAOYSA-N 0 0 313.397 3.321 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCCSCC(C)C ZINC000756114196 621615839 /nfs/dbraw/zinc/61/58/39/621615839.db2.gz OIZVLJGXLOLYDV-UHFFFAOYSA-N 0 0 323.506 3.249 20 10 DGCDRN O=C(/C=C/c1cncc(F)c1)N1CCc2c1cccc2Cl ZINC000119104094 621620017 /nfs/dbraw/zinc/62/00/17/621620017.db2.gz JOSKQRXHGPVSEK-SNAWJCMRSA-N 0 0 302.736 3.477 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]C[C@@H](C)CCC(=O)[O-])cc1F ZINC000756314444 621627205 /nfs/dbraw/zinc/62/72/05/621627205.db2.gz ZINKSLCASVJPKJ-ZDUSSCGKSA-N 0 0 310.413 3.262 20 10 DGCDRN C[C@H]1CC[C@@](C[NH2+]Cc2ccc(N(C)C)cc2)(CC(=O)[O-])C1 ZINC000756312510 621627330 /nfs/dbraw/zinc/62/73/30/621627330.db2.gz QVHGZZXBKNOUNM-KSSFIOAISA-N 0 0 304.434 3.123 20 10 DGCDRN COC[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756343399 621629614 /nfs/dbraw/zinc/62/96/14/621629614.db2.gz YTFOSITWSBKGNJ-HTQZYQBOSA-N 0 0 322.630 3.494 20 10 DGCDRN COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756381544 621633376 /nfs/dbraw/zinc/63/33/76/621633376.db2.gz MSIXEYXREKCAQW-QFYYESIMSA-N 0 0 323.339 3.063 20 10 DGCDRN COCCOc1cccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])c1 ZINC000756432882 621638405 /nfs/dbraw/zinc/63/84/05/621638405.db2.gz SNKDYDWGLYPRBT-CYBMUJFWSA-N 0 0 319.376 3.407 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCCN(C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756442615 621639053 /nfs/dbraw/zinc/63/90/53/621639053.db2.gz FLHNXJKSNWTHJS-VHSXEESVSA-N 0 0 303.233 3.444 20 10 DGCDRN C[C@@H]1C[C@@H]([NH2+]CCCCn2ccnc2)c2c1c(F)ccc2O ZINC000756458247 621639393 /nfs/dbraw/zinc/63/93/93/621639393.db2.gz KQTADRPKFDZNAU-TZMCWYRMSA-N 0 0 303.381 3.346 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1COc2ccccc2C1)c1ccc(F)cc1[O-] ZINC000756458184 621639469 /nfs/dbraw/zinc/63/94/69/621639469.db2.gz UGCVLBJGTCJWAK-CHWSQXEVSA-N 0 0 301.361 3.433 20 10 DGCDRN Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756461539 621640185 /nfs/dbraw/zinc/64/01/85/621640185.db2.gz UIBILNSCGGZCJT-MEDUHNTESA-N 0 0 307.340 3.363 20 10 DGCDRN C[C@H]([NH2+]CCN1Cc2ccccc2C1)c1cc(F)cc(F)c1[O-] ZINC000756479438 621640756 /nfs/dbraw/zinc/64/07/56/621640756.db2.gz MWKCVBJKUHADHM-LBPRGKRZSA-N 0 0 318.367 3.337 20 10 DGCDRN C[C@H](COc1ccccc1)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756495499 621641937 /nfs/dbraw/zinc/64/19/37/621641937.db2.gz RVZHMIMCEQUEIV-OLZOCXBDSA-N 0 0 316.357 3.419 20 10 DGCDRN C[C@H]([NH2+]C[C@H](C)N1CCC(C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756504688 621643120 /nfs/dbraw/zinc/64/31/20/621643120.db2.gz PWANDDHGOPHPRT-KBPBESRZSA-N 0 0 321.421 3.071 20 10 DGCDRN C[C@H]([NH2+]CCc1cc(F)cc(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756510077 621643946 /nfs/dbraw/zinc/64/39/46/621643946.db2.gz GSSFOBPFVGRIHX-JTQLQIEISA-N 0 0 322.311 3.472 20 10 DGCDRN O=C(/C=C/c1cncc(F)c1)N1CCCc2c(F)ccc(F)c21 ZINC000119316911 621644253 /nfs/dbraw/zinc/64/42/53/621644253.db2.gz WVAAWDWJQDNGLR-ZZXKWVIFSA-N 0 0 318.298 3.492 20 10 DGCDRN Cc1cc(CNC(=O)[C@H]2CCSC2)c(C)n1-c1ccccc1 ZINC000863165539 621644437 /nfs/dbraw/zinc/64/44/37/621644437.db2.gz DRQDZCMSJGAHDE-HNNXBMFYSA-N 0 0 314.454 3.463 20 10 DGCDRN CO[C@@H](C(=O)NCc1cc(C)n(-c2ccccc2)c1C)C1CC1 ZINC000863164715 621644672 /nfs/dbraw/zinc/64/46/72/621644672.db2.gz TUWDOMVFHJDWEO-GOSISDBHSA-N 0 0 312.413 3.135 20 10 DGCDRN Cc1cc(CNC(=O)[C@@]2(C)CCOC2)c(C)n1-c1ccccc1 ZINC000863165935 621644673 /nfs/dbraw/zinc/64/46/73/621644673.db2.gz QCIRYIAFNOLFCS-IBGZPJMESA-N 0 0 312.413 3.137 20 10 DGCDRN Cc1cc(CNC(=O)c2cnn(C)c2C)c(C)n1-c1ccccc1 ZINC000863166390 621644763 /nfs/dbraw/zinc/64/47/63/621644763.db2.gz QEBCRYBHQWXMGA-UHFFFAOYSA-N 0 0 322.412 3.066 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C)c2nc(C)cs2)c1 ZINC000756533757 621645599 /nfs/dbraw/zinc/64/55/99/621645599.db2.gz IBQFUOSITGUTAB-GHMZBOCLSA-N 0 0 320.414 3.356 20 10 DGCDRN Cc1nccn1C[C@@H](C)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756534214 621645869 /nfs/dbraw/zinc/64/58/69/621645869.db2.gz LFNQTEYWQHQTOV-WDEREUQCSA-N 0 0 309.360 3.162 20 10 DGCDRN Cc1csc([C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000756537106 621645951 /nfs/dbraw/zinc/64/59/51/621645951.db2.gz VWKCQFGJZKYOAV-ZJUUUORDSA-N 0 0 307.375 3.477 20 10 DGCDRN C[C@H]([NH2+]Cc1nccn1CC(F)(F)F)c1ccc(F)cc1[O-] ZINC000756539536 621646029 /nfs/dbraw/zinc/64/60/29/621646029.db2.gz PVQNJOFJZUOAQW-VIFPVBQESA-N 0 0 317.286 3.141 20 10 DGCDRN C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756571683 621650022 /nfs/dbraw/zinc/65/00/22/621650022.db2.gz IYGPHZSLOPCROJ-DIFFPNOSSA-N 0 0 307.340 3.229 20 10 DGCDRN C[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756571684 621650410 /nfs/dbraw/zinc/65/04/10/621650410.db2.gz IYGPHZSLOPCROJ-GTNSWQLSSA-N 0 0 307.340 3.229 20 10 DGCDRN CC[S@](=O)CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756576155 621650785 /nfs/dbraw/zinc/65/07/85/621650785.db2.gz LFXBDDZPKPAUMX-ASCAZGACSA-N 0 0 310.246 3.118 20 10 DGCDRN CC[C@H](COC)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756596160 621651629 /nfs/dbraw/zinc/65/16/29/621651629.db2.gz YGKXGFZZMXOGMQ-DTWKUNHWSA-N 0 0 320.202 3.369 20 10 DGCDRN CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756604173 621652068 /nfs/dbraw/zinc/65/20/68/621652068.db2.gz MEGVKTDWLNXGEI-MLGOLLRUSA-N 0 0 310.394 3.138 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2sc(C)nc2C)c1 ZINC000756615062 621652715 /nfs/dbraw/zinc/65/27/15/621652715.db2.gz VKWBRPJRQVMNNT-VIFPVBQESA-N 0 0 320.414 3.103 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2c(C)cccc2F)c1 ZINC000756612472 621652768 /nfs/dbraw/zinc/65/27/68/621652768.db2.gz XDXCBNQLJDQCGU-LBPRGKRZSA-N 0 0 317.360 3.477 20 10 DGCDRN C[C@H]([NH2+]CCCC(=O)OC(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756629304 621654155 /nfs/dbraw/zinc/65/41/55/621654155.db2.gz PBYAUKYENGZZJD-NSHDSACASA-N 0 0 324.377 3.073 20 10 DGCDRN C[C@H]([NH2+]Cc1ccon1)c1cc(Br)c(F)cc1[O-] ZINC000756637687 621654571 /nfs/dbraw/zinc/65/45/71/621654571.db2.gz ONMMBYJNNRTVKP-ZETCQYMHSA-N 0 0 315.142 3.133 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccon1)c1cc(Br)cc(F)c1[O-] ZINC000756635740 621654599 /nfs/dbraw/zinc/65/45/99/621654599.db2.gz HIHIAHHMTZQDKN-SSDOTTSWSA-N 0 0 315.142 3.133 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2CCC(OC)CC2)c1 ZINC000756640900 621654969 /nfs/dbraw/zinc/65/49/69/621654969.db2.gz DMOUCWKWRKSQSA-OPFPJEHXSA-N 0 0 321.417 3.035 20 10 DGCDRN CN(Cc1cn2cc(Cl)ccc2n1)c1ccc2c(c1)OCO2 ZINC000756653186 621656237 /nfs/dbraw/zinc/65/62/37/621656237.db2.gz CUTCAHSUBUSMOI-UHFFFAOYSA-N 0 0 315.760 3.353 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCSC(C)(C)C)c1 ZINC000756681098 621658342 /nfs/dbraw/zinc/65/83/42/621658342.db2.gz FXYOCRIIWFCFDJ-NSHDSACASA-N 0 0 311.447 3.361 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCC(F)(F)C2)c1 ZINC000756764355 621662855 /nfs/dbraw/zinc/66/28/55/621662855.db2.gz HATXSAUPVMBEHE-PWSUYJOCSA-N 0 0 313.344 3.407 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)[C@@H](O)Cc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756757922 621662936 /nfs/dbraw/zinc/66/29/36/621662936.db2.gz DAGZSCJAORNDQK-PRXAMGSTSA-N 0 0 321.367 3.313 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CCC(F)(F)CC2)c1 ZINC000756783697 621664324 /nfs/dbraw/zinc/66/43/24/621664324.db2.gz HMYFJHGZJUWGBV-SNVBAGLBSA-N 0 0 313.344 3.407 20 10 DGCDRN COc1cc(CN2CCOc3cc(F)ccc3C2)c(O)cc1C ZINC000863339195 621664583 /nfs/dbraw/zinc/66/45/83/621664583.db2.gz CNKDLRKCTUZCDH-UHFFFAOYSA-N 0 0 317.360 3.243 20 10 DGCDRN C[C@@H]([NH2+]CCCn1cncn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756831755 621667012 /nfs/dbraw/zinc/66/70/12/621667012.db2.gz XXQMBZYXGOFLJT-SECBINFHSA-N 0 0 315.204 3.031 20 10 DGCDRN C[C@@H]1CC(=O)N(C)c2ccc(NC(=O)C3=CC(=O)CS3)cc21 ZINC000863539713 621682041 /nfs/dbraw/zinc/68/20/41/621682041.db2.gz IIVLJWGKKZMYHQ-SECBINFHSA-N 0 0 316.382 3.176 20 10 DGCDRN Cc1ccc([C@H](NC(=O)CN(C)c2ccc(N)cc2)C2CC2)cc1 ZINC000863557869 621683546 /nfs/dbraw/zinc/68/35/46/621683546.db2.gz YEOMUQSYMRVPAR-FQEVSTJZSA-N 0 0 323.440 3.281 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](CCO)C1CC1 ZINC000757085598 621685676 /nfs/dbraw/zinc/68/56/76/621685676.db2.gz BOAYOBNGSGPIFY-AWEZNQCLSA-N 0 0 318.442 3.046 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2sc(C)nc2C)c1 ZINC000757242954 621695153 /nfs/dbraw/zinc/69/51/53/621695153.db2.gz RDOVLRGKBMPGNG-MRVPVSSYSA-N 0 0 321.402 3.357 20 10 DGCDRN Cc1nc(C)c(NC(=O)NCc2ccc(N(C)C)cc2C)s1 ZINC000757241911 621695264 /nfs/dbraw/zinc/69/52/64/621695264.db2.gz NSXMHTDCFZASLM-UHFFFAOYSA-N 0 0 318.446 3.456 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(Cl)nc2)c1 ZINC000103503206 621697063 /nfs/dbraw/zinc/69/70/63/621697063.db2.gz WWDMGMDXNQFIAV-SECBINFHSA-N 0 0 321.764 3.332 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2nc(C)cs2)c1 ZINC000103503264 621697319 /nfs/dbraw/zinc/69/73/19/621697319.db2.gz PQWDBKOMRJUKKK-VIFPVBQESA-N 0 0 307.375 3.048 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(C)cc2)c1 ZINC000103503346 621697392 /nfs/dbraw/zinc/69/73/92/621697392.db2.gz AGVKNUQMCAQSKN-CYBMUJFWSA-N 0 0 314.385 3.270 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCCC[C@@H]2C)c1 ZINC000103506192 621697848 /nfs/dbraw/zinc/69/78/48/621697848.db2.gz HZJBEQANPNSTMK-SLEUVZQESA-N 0 0 306.406 3.340 20 10 DGCDRN COC1([C@@H](C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2[O-])CCC1 ZINC000839658076 621704736 /nfs/dbraw/zinc/70/47/36/621704736.db2.gz ASNPTKGMJIAGIQ-LLVKDONJSA-N 0 0 311.809 3.295 20 10 DGCDRN COc1cc2c(c(OC)c1)N(Cc1oc(C)nc1C)CCC2 ZINC000839656743 621704982 /nfs/dbraw/zinc/70/49/82/621704982.db2.gz RWVZUFHOFHPTGW-UHFFFAOYSA-N 0 0 302.374 3.261 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1F ZINC000863739236 621705684 /nfs/dbraw/zinc/70/56/84/621705684.db2.gz JMFIKRRARSGYCG-DZGCQCFKSA-N 0 0 322.424 3.215 20 10 DGCDRN C/C=C\C[C@@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000863820393 621710948 /nfs/dbraw/zinc/71/09/48/621710948.db2.gz YEMFOPBBBSQJIW-KLVINZEESA-N 0 0 301.386 3.316 20 10 DGCDRN CCOc1cccc(CNc2cccc(OCCOC)c2)c1O ZINC000119753446 621722019 /nfs/dbraw/zinc/72/20/19/621722019.db2.gz SHCQEANYMPHFIT-UHFFFAOYSA-N 0 0 317.385 3.428 20 10 DGCDRN CN1CCC[C@H](NC(=O)C2=CC(=O)CS2)c2ccccc21 ZINC000839788131 621724803 /nfs/dbraw/zinc/72/48/03/621724803.db2.gz YJYBMLLWAUCVFB-ZDUSSCGKSA-N 0 0 302.399 3.155 20 10 DGCDRN Cc1cc(O)c(CNc2cc(C(N)=O)ccc2Cl)cc1C ZINC000863996223 621725197 /nfs/dbraw/zinc/72/51/97/621725197.db2.gz SXOBJBOKUCCSOX-UHFFFAOYSA-N 0 0 304.777 3.373 20 10 DGCDRN Cc1cc(O)c(CNc2ccc(C(N)=O)c(C)c2)c(Cl)c1 ZINC000864004581 621726289 /nfs/dbraw/zinc/72/62/89/621726289.db2.gz OGDDPVURNUMRTK-UHFFFAOYSA-N 0 0 304.777 3.373 20 10 DGCDRN CN=[S@](C)(=O)c1cccc(NCc2ccc(N(C)C)cc2)c1 ZINC000864013803 621726933 /nfs/dbraw/zinc/72/69/33/621726933.db2.gz AFCWHGBEENZCHM-JOCHJYFZSA-N 0 0 317.458 3.451 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000757630482 621729671 /nfs/dbraw/zinc/72/96/71/621729671.db2.gz KRKAZCCBFXREQZ-XHDPSFHLSA-N 0 0 321.417 3.176 20 10 DGCDRN COc1ccc(N(C)CC(=O)N(C)[C@H]2CCCC[C@@H]2C)cc1F ZINC000757852638 621742976 /nfs/dbraw/zinc/74/29/76/621742976.db2.gz PVWODBAQPSVSOU-BBRMVZONSA-N 0 0 322.424 3.308 20 10 DGCDRN COc1ccc(N(C)CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1F ZINC000757851029 621742990 /nfs/dbraw/zinc/74/29/90/621742990.db2.gz BKRIPFPZZZRIPY-DVOMOZLQSA-N 0 0 322.424 3.211 20 10 DGCDRN CCN(CC)c1ccc(CNc2ccc(C(=O)OC)nc2)cc1 ZINC000758472288 621784301 /nfs/dbraw/zinc/78/43/01/621784301.db2.gz VKBPOJYUAZXKKV-UHFFFAOYSA-N 0 0 313.401 3.327 20 10 DGCDRN CC(C)Oc1ccc(COC(=O)c2cccc(O)c2O)cc1 ZINC000758558982 621789525 /nfs/dbraw/zinc/78/95/25/621789525.db2.gz OZHTWRHIMPCWNV-UHFFFAOYSA-N 0 0 302.326 3.242 20 10 DGCDRN CC(C)(C)c1csc(COC(=O)c2cccc(O)c2O)n1 ZINC000758560672 621789547 /nfs/dbraw/zinc/78/95/47/621789547.db2.gz ISOYANDOXHNLDE-UHFFFAOYSA-N 0 0 307.371 3.209 20 10 DGCDRN O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1CC12CCC2 ZINC000759715052 621885141 /nfs/dbraw/zinc/88/51/41/621885141.db2.gz ZUDLWZMQDATZDY-MRXNPFEDSA-N 0 0 316.470 3.046 20 10 DGCDRN Oc1cccc(Br)c1CNc1nnc(C2CC2)o1 ZINC000865289812 621890472 /nfs/dbraw/zinc/89/04/72/621890472.db2.gz FKUGRZDVTWTEPQ-UHFFFAOYSA-N 0 0 310.151 3.027 20 10 DGCDRN CC(C)c1noc(NCc2c(O)cccc2Br)n1 ZINC000865289241 621890574 /nfs/dbraw/zinc/89/05/74/621890574.db2.gz BKUMZDAUWBYJDU-UHFFFAOYSA-N 0 0 312.167 3.273 20 10 DGCDRN C[C@@H]1C[C@H]1c1nnc(NCc2cc(F)c(N(C)C)cc2F)o1 ZINC000865294851 621892105 /nfs/dbraw/zinc/89/21/05/621892105.db2.gz VBPUDCGHOAVDMM-PSASIEDQSA-N 0 0 308.332 3.149 20 10 DGCDRN COC(=O)c1cc(OCCC(F)=C(F)F)ccc1N(C)C ZINC000865395342 621909021 /nfs/dbraw/zinc/90/90/21/621909021.db2.gz OXUXJJIZFGAPGV-UHFFFAOYSA-N 0 0 303.280 3.386 20 10 DGCDRN C[C@H](O)c1ccc(N2CC=C(c3c[nH]c4ncccc34)CC2)nc1 ZINC000865425568 621917362 /nfs/dbraw/zinc/91/73/62/621917362.db2.gz RPYKRGQEESFOJJ-ZDUSSCGKSA-N 0 0 320.396 3.305 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2ccc[nH]2)cc1 ZINC000760308821 621930308 /nfs/dbraw/zinc/93/03/08/621930308.db2.gz WNJROKPZXFJKQF-CQSZACIVSA-N 0 0 314.433 3.421 20 10 DGCDRN COc1ccccc1C1(CNC(=O)C2=CC(=O)CS2)CCC1 ZINC000760451137 621941605 /nfs/dbraw/zinc/94/16/05/621941605.db2.gz XLLXSZNYQNKDCF-UHFFFAOYSA-N 0 0 317.410 3.314 20 10 DGCDRN CCOc1ccc(CN2CCOc3cc(F)ccc32)c(O)c1 ZINC000789564500 625526465 /nfs/dbraw/zinc/52/64/65/625526465.db2.gz DKOOQADYXQKXOU-UHFFFAOYSA-N 0 0 303.333 3.329 20 10 DGCDRN Cn1c2ccc(NC(=O)C3=CC(=O)CS3)cc2nc1C1CC1 ZINC000761024496 621979813 /nfs/dbraw/zinc/97/98/13/621979813.db2.gz AOZKSNZSBPNOJW-UHFFFAOYSA-N 0 0 313.382 3.470 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2C(F)F)c1O ZINC000761116525 621988099 /nfs/dbraw/zinc/98/80/99/621988099.db2.gz CLQGXTWEDOVLNW-LBPRGKRZSA-N 0 0 303.736 3.478 20 10 DGCDRN CC1(C)COc2cc(NCc3ccccc3O)ccc2NC1=O ZINC000865752099 621988208 /nfs/dbraw/zinc/98/82/08/621988208.db2.gz KXPSQHUJPCFETI-UHFFFAOYSA-N 0 0 312.369 3.361 20 10 DGCDRN CCN(CC)c1ccc(CNCc2nn(C)cc2C(F)F)cc1 ZINC000865810481 621999313 /nfs/dbraw/zinc/99/93/13/621999313.db2.gz OKDQFCJOCYTXOV-UHFFFAOYSA-N 0 0 322.403 3.494 20 10 DGCDRN C[C@@]1(CCCO)CCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000809756349 621999876 /nfs/dbraw/zinc/99/98/76/621999876.db2.gz GNVWTXCBSFCVEE-HNNXBMFYSA-N 0 0 301.789 3.312 20 10 DGCDRN CC(C)C[C@@H]1C(=O)N([C@H](C)c2ccc(N(C)C)cc2)C(=O)N1C ZINC000761576032 622018517 /nfs/dbraw/zinc/01/85/17/622018517.db2.gz AAYDJZOMXKAUBS-CZUORRHYSA-N 0 0 317.433 3.122 20 10 DGCDRN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@H](c2ccccc2)C1=O ZINC000761580437 622018985 /nfs/dbraw/zinc/01/89/85/622018985.db2.gz UEKSSSAIWOXGRX-CXAGYDPISA-N 0 0 323.396 3.107 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccccc2C)c1 ZINC000103597492 622027683 /nfs/dbraw/zinc/02/76/83/622027683.db2.gz PHUYSBAKCKCKTG-CYBMUJFWSA-N 0 0 314.385 3.270 20 10 DGCDRN CC[C@@H]([NH2+][C@H](C)CC(N)=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000806142818 622032276 /nfs/dbraw/zinc/03/22/76/622032276.db2.gz GBZCKEKJYIQFDQ-RDDDGLTNSA-N 0 0 305.205 3.004 20 10 DGCDRN CCC[C@@H](O)CCCSc1ncc(C(=O)OCC)s1 ZINC000866033065 622035458 /nfs/dbraw/zinc/03/54/58/622035458.db2.gz KINRFXQLIRNVKV-SNVBAGLBSA-N 0 0 303.449 3.353 20 10 DGCDRN CC1(C)CCCN(c2ccnc(N3Cc4cccc(O)c4C3)n2)C1 ZINC000866116838 622048185 /nfs/dbraw/zinc/04/81/85/622048185.db2.gz CCLOJDJBMNYJJH-UHFFFAOYSA-N 0 0 324.428 3.329 20 10 DGCDRN Fc1cc(-c2nc(Cc3ccon3)no2)ccc1-n1cccc1 ZINC000762100704 622053115 /nfs/dbraw/zinc/05/31/15/622053115.db2.gz HCGKKDZPLBNDEK-UHFFFAOYSA-N 0 0 310.288 3.245 20 10 DGCDRN CN(C)c1ccc(CNc2ccccc2C[S@@](C)=O)cc1 ZINC000762557237 622083664 /nfs/dbraw/zinc/08/36/64/622083664.db2.gz WPJSPMZHGUXCJD-OAQYLSRUSA-N 0 0 302.443 3.243 20 10 DGCDRN Cc1cc(Br)c(O)c(CNc2cc(C)c(C)nn2)c1 ZINC000762652134 622089340 /nfs/dbraw/zinc/08/93/40/622089340.db2.gz PHCTWJPJRZLQPC-UHFFFAOYSA-N 0 0 322.206 3.482 20 10 DGCDRN Cc1cnc(C2CCN(C(=O)C3=CC(=O)CS3)CC2)s1 ZINC000762918602 622110627 /nfs/dbraw/zinc/11/06/27/622110627.db2.gz IBZVMWNPBRBWKH-UHFFFAOYSA-N 0 0 308.428 3.238 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cnn(CC2CCCC2)c1 ZINC000866597817 622144525 /nfs/dbraw/zinc/14/45/25/622144525.db2.gz YXEMYXIGRHHXSE-UHFFFAOYSA-N 0 0 313.401 3.051 20 10 DGCDRN CCOCCCCCC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000866763858 622163101 /nfs/dbraw/zinc/16/31/01/622163101.db2.gz INCCJVFXJAMJOR-ZDUSSCGKSA-N 0 0 309.406 3.175 20 10 DGCDRN CCOCCCCCC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000866763857 622163292 /nfs/dbraw/zinc/16/32/92/622163292.db2.gz INCCJVFXJAMJOR-CYBMUJFWSA-N 0 0 309.406 3.175 20 10 DGCDRN CN(CC(=O)Nc1ccccc1Cl)c1ccc2c(c1)OCO2 ZINC000121240317 622164004 /nfs/dbraw/zinc/16/40/04/622164004.db2.gz MWSFLBKDJLPYTM-UHFFFAOYSA-N 0 0 318.760 3.144 20 10 DGCDRN C[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000121676533 622171476 /nfs/dbraw/zinc/17/14/76/622171476.db2.gz MHSZMYTVOAPRLA-CYBMUJFWSA-N 0 0 300.377 3.312 20 10 DGCDRN O=C(NCc1cccc(Br)c1O)[C@]12C[C@H]1CCCC2 ZINC000867830996 622187036 /nfs/dbraw/zinc/18/70/36/622187036.db2.gz MTWMZDCCLAYZKH-IAQYHMDHSA-N 0 0 324.218 3.351 20 10 DGCDRN Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2O)cc1C ZINC000867833859 622187467 /nfs/dbraw/zinc/18/74/67/622187467.db2.gz CMDOMKQJKSUFOS-ZDUSSCGKSA-N 0 0 305.399 3.049 20 10 DGCDRN C/C=C(/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1)CC ZINC000764528227 622200729 /nfs/dbraw/zinc/20/07/29/622200729.db2.gz PSTYIUNMYCJHBB-LEHCCGNRSA-N 0 0 314.429 3.256 20 10 DGCDRN COc1ccc(N(C)Cc2cccc(C(N)=O)c2)cc1Cl ZINC000121974450 622206598 /nfs/dbraw/zinc/20/65/98/622206598.db2.gz GLUOPQFZRLBJRI-UHFFFAOYSA-N 0 0 304.777 3.084 20 10 DGCDRN Nc1ccc(CNC(=O)c2ccc(C3CCOCC3)cc2)cc1 ZINC000868062474 622209672 /nfs/dbraw/zinc/20/96/72/622209672.db2.gz RUDDOFKXPPFFFQ-UHFFFAOYSA-N 0 0 310.397 3.093 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)CCC1(O)CCC1 ZINC000868109900 622215265 /nfs/dbraw/zinc/21/52/65/622215265.db2.gz MPMDDBDKLMCIRI-UHFFFAOYSA-N 0 0 305.418 3.216 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC(C(F)F)C1 ZINC000764736389 622216730 /nfs/dbraw/zinc/21/67/30/622216730.db2.gz PFJDCUNVLNNAAU-UHFFFAOYSA-N 0 0 310.369 3.493 20 10 DGCDRN CO[C@@H](CNC(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 ZINC000868129889 622216972 /nfs/dbraw/zinc/21/69/72/622216972.db2.gz UMNWMDKKIWFRHB-GUYCJALGSA-N 0 0 314.385 3.140 20 10 DGCDRN Cc1cc(N)cc(NC(=O)NCCCSc2nccs2)c1 ZINC000868192706 622223633 /nfs/dbraw/zinc/22/36/33/622223633.db2.gz GEUOTIXHYBAYDY-UHFFFAOYSA-N 0 0 322.459 3.338 20 10 DGCDRN CC(C)n1cc([C@@H](C)NC(=O)N[C@H](C)c2ccccc2O)cn1 ZINC000868244015 622228028 /nfs/dbraw/zinc/22/80/28/622228028.db2.gz QJFVMNZDFQICFU-CHWSQXEVSA-N 0 0 316.405 3.291 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1C[C@@H]1Cc1ccccc1)c1ccccc1O ZINC000868309320 622232912 /nfs/dbraw/zinc/23/29/12/622232912.db2.gz UBJPAHOYOYCGHS-UKPHBRMFSA-N 0 0 310.397 3.384 20 10 DGCDRN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)N[C@@H](C)c1ccccc1O ZINC000868343116 622236715 /nfs/dbraw/zinc/23/67/15/622236715.db2.gz MGXSZSTYAIBCRV-ZQIUZPCESA-N 0 0 320.433 3.204 20 10 DGCDRN COc1cc(C)ccc1CNC(=O)N[C@H](C)c1ccccc1O ZINC000868396918 622240366 /nfs/dbraw/zinc/24/03/66/622240366.db2.gz WDRSWLWPVTWCGA-CYBMUJFWSA-N 0 0 314.385 3.270 20 10 DGCDRN COCC[C@H](NC(=O)N[C@H](C)c1ccccc1O)c1ccco1 ZINC000868486993 622249006 /nfs/dbraw/zinc/24/90/06/622249006.db2.gz NRKKZAQMSMAFHB-OCCSQVGLSA-N 0 0 318.373 3.123 20 10 DGCDRN Cc1csc([C@@H](C)CNC(=O)N[C@@H](C)c2ccccc2O)n1 ZINC000868496103 622249853 /nfs/dbraw/zinc/24/98/53/622249853.db2.gz CUWWOBWAMPZLAP-JQWIXIFHSA-N 0 0 319.430 3.321 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(CCCO)C2CC2)cc1 ZINC000765231562 622252996 /nfs/dbraw/zinc/25/29/96/622252996.db2.gz CSHIVAVKARGHAM-UHFFFAOYSA-N 0 0 312.413 3.081 20 10 DGCDRN CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N[C@@H](C)c1ccccc1O ZINC000868516449 622253071 /nfs/dbraw/zinc/25/30/71/622253071.db2.gz IIOXAAYWRDRPBI-QRTARXTBSA-N 0 0 320.433 3.346 20 10 DGCDRN Cc1cccc(NC(=O)NCc2ccc3c(c2)CCCN3C)n1 ZINC000122219115 622261723 /nfs/dbraw/zinc/26/17/23/622261723.db2.gz BEWQDNJBNSEDMM-UHFFFAOYSA-N 0 0 310.401 3.094 20 10 DGCDRN O=C(Nc1nnc(C=Cc2ccco2)s1)C1=CC(=O)CS1 ZINC000765419501 622264387 /nfs/dbraw/zinc/26/43/87/622264387.db2.gz AOXKGWLGDLPFSC-ARJAWSKDSA-N 0 0 319.367 3.321 20 10 DGCDRN C[C@@H](NC(=O)N[C@H](C1CC1)C(F)(F)F)c1ccccc1O ZINC000868617089 622264540 /nfs/dbraw/zinc/26/45/40/622264540.db2.gz DSMWSNTWGUIEGI-PRHODGIISA-N 0 0 302.296 3.093 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1c2ccccc2O[C@H]1C)c1ccccc1O ZINC000868617235 622264568 /nfs/dbraw/zinc/26/45/68/622264568.db2.gz ABRYQBFRDBEBNI-PRXAMGSTSA-N 0 0 312.369 3.275 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)c1occc1-c1ccccc1 ZINC000122237877 622264573 /nfs/dbraw/zinc/26/45/73/622264573.db2.gz NKQJGCBBNJRYJQ-UHFFFAOYSA-N 0 0 323.348 3.330 20 10 DGCDRN C[C@@H](NC(=O)NC[C@H]1CCOC2(CCC2)C1)c1ccccc1O ZINC000868668710 622270922 /nfs/dbraw/zinc/27/09/22/622270922.db2.gz PLPXNCNXFSVYHK-KGLIPLIRSA-N 0 0 318.417 3.102 20 10 DGCDRN C[C@@H](NC(=O)NC[C@@H](C)CC(F)(F)F)c1ccccc1O ZINC000868706600 622275648 /nfs/dbraw/zinc/27/56/48/622275648.db2.gz YQUHIMYWYHLLOQ-VHSXEESVSA-N 0 0 304.312 3.341 20 10 DGCDRN CC1=C(C(=O)NCc2cccc(Br)c2O)CCC1 ZINC000765727309 622284288 /nfs/dbraw/zinc/28/42/88/622284288.db2.gz LJBWJEZTTMWHNZ-UHFFFAOYSA-N 0 0 310.191 3.271 20 10 DGCDRN C[C@H]1CC[C@H](C(=O)NCc2cccc(Br)c2O)C1 ZINC000765770964 622286264 /nfs/dbraw/zinc/28/62/64/622286264.db2.gz UGFRFIIDNWRBIY-UWVGGRQHSA-N 0 0 312.207 3.207 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCCC23CC3)c1 ZINC000868845394 622292086 /nfs/dbraw/zinc/29/20/86/622292086.db2.gz VCSWFNFPALOFPO-XHDPSFHLSA-N 0 0 304.390 3.094 20 10 DGCDRN COc1cccc(CNC(=O)/C=C\c2ccc3[nH]ccc3c2)c1O ZINC000765864633 622292218 /nfs/dbraw/zinc/29/22/18/622292218.db2.gz NTMRVZUNDYZPOM-VURMDHGXSA-N 0 0 322.364 3.212 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cn1cnc(-c2ccccc2)n1 ZINC000766342637 622323515 /nfs/dbraw/zinc/32/35/15/622323515.db2.gz YGURIKVUHPFJCU-UHFFFAOYSA-N 0 0 320.396 3.364 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cnn(CC3CCCC3)c2)c1 ZINC000869409914 622352568 /nfs/dbraw/zinc/35/25/68/622352568.db2.gz GGLFUGRNJLIBCW-UHFFFAOYSA-N 0 0 313.401 3.017 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)C2C[C@H]3CCCC[C@@H](C2)C3=O)c1 ZINC000869411563 622353069 /nfs/dbraw/zinc/35/30/69/622353069.db2.gz WRSLITNYYUUDMI-YIONKMFJSA-N 0 0 315.413 3.102 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(O)c(F)c1 ZINC000767303503 622388932 /nfs/dbraw/zinc/38/89/32/622388932.db2.gz ZNJYHCGMLRVOAC-UHFFFAOYSA-N 0 0 314.360 3.062 20 10 DGCDRN C/C(=C/C(=O)N(CC1CC1)c1cccc(F)c1)c1cnccn1 ZINC000869716542 622395229 /nfs/dbraw/zinc/39/52/29/622395229.db2.gz BZVJSEZPQAPDOD-LCYFTJDESA-N 0 0 311.360 3.462 20 10 DGCDRN Cc1ncnc(N2CC=C(c3c[nH]c4ncccc34)CC2)c1C ZINC000881786377 625563825 /nfs/dbraw/zinc/56/38/25/625563825.db2.gz SOKFYYKYHBURAE-UHFFFAOYSA-N 0 0 305.385 3.263 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)CCC(=O)c1cccc(F)c1 ZINC000767711139 622418187 /nfs/dbraw/zinc/41/81/87/622418187.db2.gz GXMGNCIHCFQSLF-UHFFFAOYSA-N 0 0 315.344 3.153 20 10 DGCDRN CN1CCCN(C(=O)/C=C/c2cccnc2)c2cc(F)ccc21 ZINC000122902104 622427169 /nfs/dbraw/zinc/42/71/69/622427169.db2.gz OLTOCAVQCSIHPR-VMPITWQZSA-N 0 0 311.360 3.107 20 10 DGCDRN C[C@H]([NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000768295458 622449416 /nfs/dbraw/zinc/44/94/16/622449416.db2.gz SIGCXPRSPMJDJX-YMRXKLBXSA-N 0 0 320.389 3.156 20 10 DGCDRN CC(C)O[C@@H]1C[C@H](NC(=O)N(C)Cc2ccccc2O)C1(C)C ZINC000768450556 622457645 /nfs/dbraw/zinc/45/76/45/622457645.db2.gz QXOQYONEFQXIFX-JKSUJKDBSA-N 0 0 320.433 3.126 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc3ccccc3n2)cc1 ZINC000018215087 622474296 /nfs/dbraw/zinc/47/42/96/622474296.db2.gz DFNNLPYUUAGIGL-UHFFFAOYSA-N 0 0 305.381 3.231 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCc3cc(F)ccc3C2)c1O ZINC000768810869 622478862 /nfs/dbraw/zinc/47/88/62/622478862.db2.gz DURCBHBUYPRZRC-UHFFFAOYSA-N 0 0 317.335 3.431 20 10 DGCDRN CN(C)c1ccc(CN2CCc3ccc(O)cc3C2)cc1F ZINC000768869842 622481941 /nfs/dbraw/zinc/48/19/41/622481941.db2.gz ZSFUKRJEPXQCPC-UHFFFAOYSA-N 0 0 300.377 3.156 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)CCC2CC2)c1 ZINC000768969788 622489065 /nfs/dbraw/zinc/48/90/65/622489065.db2.gz QZCAAMUEQJHHRI-VXGBXAGGSA-N 0 0 306.406 3.340 20 10 DGCDRN COc1cccc(O)c1CN(Cc1ccco1)C[C@@H]1CCCO1 ZINC000769044432 622494244 /nfs/dbraw/zinc/49/42/44/622494244.db2.gz HGVCAEYAVOVZOX-HNNXBMFYSA-N 0 0 317.385 3.175 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)CNc1cccc(Cl)c1 ZINC000769282840 622513459 /nfs/dbraw/zinc/51/34/59/622513459.db2.gz QEYFSGWHJKQYOM-UHFFFAOYSA-N 0 0 304.777 3.116 20 10 DGCDRN CC[C@H](C(=O)N(C)Cc1ccccc1O)c1c(C)noc1C ZINC000769281459 622513602 /nfs/dbraw/zinc/51/36/02/622513602.db2.gz CWNSPNGJTQKUCX-AWEZNQCLSA-N 0 0 302.374 3.149 20 10 DGCDRN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCc1ccccc1O ZINC000769362825 622520790 /nfs/dbraw/zinc/52/07/90/622520790.db2.gz KNBMYMKUYVNVDZ-HFTRVMKXSA-N 0 0 319.445 3.486 20 10 DGCDRN O=C(C1=CC(=O)CS1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000769375755 622522278 /nfs/dbraw/zinc/52/22/78/622522278.db2.gz PUOXMQHNPVMAJI-UHFFFAOYSA-N 0 0 318.354 3.167 20 10 DGCDRN Cc1ccc(O)c(C[N@@H+](C)[C@@H]2CCCN(c3ccccc3)C2=O)c1 ZINC000769461811 622529406 /nfs/dbraw/zinc/52/94/06/622529406.db2.gz WVMFHDOZGIQROK-GOSISDBHSA-N 0 0 324.424 3.328 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H](F)c1ccccc1 ZINC000769475277 622531417 /nfs/dbraw/zinc/53/14/17/622531417.db2.gz PAWNOUASCZMYEJ-KRWDZBQOSA-N 0 0 314.360 3.189 20 10 DGCDRN C[C@H]1CN(Cc2c(O)cccc2Cl)C[C@H](C(F)(F)F)O1 ZINC000769495446 622534169 /nfs/dbraw/zinc/53/41/69/622534169.db2.gz FTMWOYNESIEADB-QPUJVOFHSA-N 0 0 309.715 3.197 20 10 DGCDRN O=C(Cc1ccco1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000769700120 622551375 /nfs/dbraw/zinc/55/13/75/622551375.db2.gz WEKQQXXQCCQOJO-UHFFFAOYSA-N 0 0 318.336 3.171 20 10 DGCDRN Cc1cccc(CSCC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871199528 622565879 /nfs/dbraw/zinc/56/58/79/622565879.db2.gz QVKRBWACZWJWOL-UHFFFAOYSA-N 0 0 313.422 3.476 20 10 DGCDRN COc1cccc(C(C)(C)C(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871199690 622566504 /nfs/dbraw/zinc/56/65/04/622566504.db2.gz SJKREHFKFBPWRC-UHFFFAOYSA-N 0 0 311.381 3.221 20 10 DGCDRN O=C(CCCOc1ccccc1F)N1Cc2cccc(O)c2C1 ZINC000871201190 622566511 /nfs/dbraw/zinc/56/65/11/622566511.db2.gz RNTMSGBAVJTPJH-UHFFFAOYSA-N 0 0 315.344 3.233 20 10 DGCDRN O=C([C@H]1C[C@H]1c1cccc(F)c1F)N1Cc2cccc(O)c2C1 ZINC000871202879 622567459 /nfs/dbraw/zinc/56/74/59/622567459.db2.gz NWQYTOIBBDDYPB-STQMWFEESA-N 0 0 315.319 3.316 20 10 DGCDRN O=C(c1cccc(N2CCCC2)c1)N1Cc2cccc(O)c2C1 ZINC000871206086 622568194 /nfs/dbraw/zinc/56/81/94/622568194.db2.gz QYPXQRPUGHNOSR-UHFFFAOYSA-N 0 0 308.381 3.148 20 10 DGCDRN CCOc1cccc(CCC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871206761 622568955 /nfs/dbraw/zinc/56/89/55/622568955.db2.gz DIJLZWHQZPHQAN-UHFFFAOYSA-N 0 0 311.381 3.266 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CCCC3(CC3)C2)c([N+](=O)[O-])c1 ZINC000770228216 622614957 /nfs/dbraw/zinc/61/49/57/622614957.db2.gz ORLPDELIIPIFAF-XQRVVYSFSA-N 0 0 316.357 3.161 20 10 DGCDRN COc1cccc(CN2CCc3ccc(F)c(F)c3C2)c1O ZINC000770355107 622623828 /nfs/dbraw/zinc/62/38/28/622623828.db2.gz KZQUBECHIUYCIX-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCc1ccc2ncccc2c1 ZINC000770403843 622630913 /nfs/dbraw/zinc/63/09/13/622630913.db2.gz MUZSCVCSMGHRCE-VMPITWQZSA-N 0 0 321.332 3.403 20 10 DGCDRN Cc1ccc(C(=O)NCC(C)(C)c2ccc(F)cc2)c(O)c1O ZINC000770484069 622637912 /nfs/dbraw/zinc/63/79/12/622637912.db2.gz VOFXBXTVLXCBRV-UHFFFAOYSA-N 0 0 317.360 3.253 20 10 DGCDRN C/C=C(\C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000770513264 622641098 /nfs/dbraw/zinc/64/10/98/622641098.db2.gz MOVBQQVVCCAZEX-QDEBKDIKSA-N 0 0 305.333 3.367 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)N[C@H]1CC12CC2 ZINC000888584042 622649983 /nfs/dbraw/zinc/64/99/83/622649983.db2.gz VLAQQCQQUKKQCO-ZDUSSCGKSA-N 0 0 319.368 3.070 20 10 DGCDRN CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)N(C)Cc1ccccc1O ZINC000123734235 622664895 /nfs/dbraw/zinc/66/48/95/622664895.db2.gz DMMBXMOJXWXWKO-JKSUJKDBSA-N 0 0 320.433 3.127 20 10 DGCDRN CCC[C@@](C)(O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000770753923 622666976 /nfs/dbraw/zinc/66/69/76/622666976.db2.gz LGVFEKYFUUWQCS-LJQANCHMSA-N 0 0 318.461 3.186 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)CCCC(F)(F)F)c1 ZINC000770792337 622670597 /nfs/dbraw/zinc/67/05/97/622670597.db2.gz PEQSWFWOSCIOMI-VIFPVBQESA-N 0 0 305.296 3.311 20 10 DGCDRN C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)C1=CC(=O)CS1 ZINC000771033245 622706852 /nfs/dbraw/zinc/70/68/52/622706852.db2.gz OBIPSHVVURPHKM-MRVPVSSYSA-N 0 0 309.337 3.491 20 10 DGCDRN CCc1cncc(C(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000789995317 625591497 /nfs/dbraw/zinc/59/14/97/625591497.db2.gz GQKUIPGWISITDK-UHFFFAOYSA-N 0 0 310.397 3.158 20 10 DGCDRN Cc1cc(C)c(CCNC(=O)c2c(F)ccc(O)c2O)c(C)c1 ZINC000789994145 625591910 /nfs/dbraw/zinc/59/19/10/625591910.db2.gz LXJYZNYNDCOURN-UHFFFAOYSA-N 0 0 317.360 3.135 20 10 DGCDRN Fc1cc(-c2nc(Cc3cnccn3)no2)ccc1-n1cccc1 ZINC000771649697 622784023 /nfs/dbraw/zinc/78/40/23/622784023.db2.gz YFDKCPJCDGJDOQ-UHFFFAOYSA-N 0 0 321.315 3.047 20 10 DGCDRN Cc1cc(C(=O)NCC(C)(C)CO)c(C)n1-c1cccc(C)c1 ZINC000771679113 622786226 /nfs/dbraw/zinc/78/62/26/622786226.db2.gz TUEDWBNNEWKDJJ-UHFFFAOYSA-N 0 0 314.429 3.151 20 10 DGCDRN C[C@H](NC(=O)c1c[nH]nc1-c1ccoc1)c1ccc(N(C)C)cc1 ZINC000790035844 625595304 /nfs/dbraw/zinc/59/53/04/625595304.db2.gz MFKVTYAJWRFFEX-LBPRGKRZSA-N 0 0 324.384 3.227 20 10 DGCDRN COc1ccc(N2CCN(C(=O)[C@H]3CCCC3(C)C)CC2)cc1 ZINC000771866393 622805551 /nfs/dbraw/zinc/80/55/51/622805551.db2.gz BZZZHHYZZRELBP-QGZVFWFLSA-N 0 0 316.445 3.170 20 10 DGCDRN CC(C)Oc1cncc(NCc2ccc(N3CCCC3)cc2)n1 ZINC000771970142 622826030 /nfs/dbraw/zinc/82/60/30/622826030.db2.gz WICDIJWHYNVTLD-UHFFFAOYSA-N 0 0 312.417 3.476 20 10 DGCDRN Cc1ccc(SCCNC(=O)c2c(F)ccc(O)c2O)cc1 ZINC000790069188 625599789 /nfs/dbraw/zinc/59/97/89/625599789.db2.gz NJKPWDWWVZQGCX-UHFFFAOYSA-N 0 0 321.373 3.067 20 10 DGCDRN CC(C)COc1ccccc1NC[C@H](O)C[C@@](C)(O)C1CC1 ZINC000872212464 622859143 /nfs/dbraw/zinc/85/91/43/622859143.db2.gz GXYSXVZUJZUNSW-CRAIPNDOSA-N 0 0 307.434 3.045 20 10 DGCDRN O=c1[nH]nc(Cl)cc1NCc1ccc(N2CCCCC2)cc1 ZINC000872428590 622913354 /nfs/dbraw/zinc/91/33/54/622913354.db2.gz HXTSIFKWICPZIP-UHFFFAOYSA-N 0 0 318.808 3.438 20 10 DGCDRN C[C@@H](NC(=O)Cc1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000772993456 622962439 /nfs/dbraw/zinc/96/24/39/622962439.db2.gz HTHVQAFYFTVBAA-CYBMUJFWSA-N 0 0 300.377 3.312 20 10 DGCDRN C[C@@H](NC(=O)c1ccnc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000772998888 622963204 /nfs/dbraw/zinc/96/32/04/622963204.db2.gz KWVWJEOHZUKABM-LLVKDONJSA-N 0 0 303.793 3.292 20 10 DGCDRN CC(C)c1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)on1 ZINC000773002140 622963906 /nfs/dbraw/zinc/96/39/06/622963906.db2.gz YDSIICRECOKDJV-GFCCVEGCSA-N 0 0 301.390 3.355 20 10 DGCDRN Cc1ccn2cc(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)nc2c1 ZINC000773010966 622965826 /nfs/dbraw/zinc/96/58/26/622965826.db2.gz UTHVKSIYLUUXMM-CQSZACIVSA-N 0 0 322.412 3.200 20 10 DGCDRN COc1csc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773016204 622967840 /nfs/dbraw/zinc/96/78/40/622967840.db2.gz TYLMSGLSBBXLTP-LLVKDONJSA-N 0 0 304.415 3.314 20 10 DGCDRN C[C@H](NC(=O)Cc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000773016277 622968157 /nfs/dbraw/zinc/96/81/57/622968157.db2.gz ATRUTIRNKMOPLB-ZDUSSCGKSA-N 0 0 300.377 3.312 20 10 DGCDRN C[C@@H](NC(=O)COCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000773017252 622968197 /nfs/dbraw/zinc/96/81/97/622968197.db2.gz DIDKRQDWKFPDFH-OAHLLOKOSA-N 0 0 312.413 3.147 20 10 DGCDRN C[C@@H](NC(=O)CC[C@H]1CC[C@@H](C)O1)c1ccc(N(C)C)cc1 ZINC000773019480 622968709 /nfs/dbraw/zinc/96/87/09/622968709.db2.gz MBVQLWBVRSATIY-CKEIUWERSA-N 0 0 304.434 3.278 20 10 DGCDRN CCO[C@@H](CC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000773023384 622968970 /nfs/dbraw/zinc/96/89/70/622968970.db2.gz XGDQHRQHLXKRIV-PBHICJAKSA-N 0 0 306.450 3.381 20 10 DGCDRN C[C@@H](NC(=O)CSc1ccncc1)c1ccc(N(C)C)cc1 ZINC000773018655 622969208 /nfs/dbraw/zinc/96/92/08/622969208.db2.gz WMSNUQFNAURZJZ-CYBMUJFWSA-N 0 0 315.442 3.117 20 10 DGCDRN C[C@@H](NS(=O)(=O)CC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000773089063 622982371 /nfs/dbraw/zinc/98/23/71/622982371.db2.gz QZFAHXBSXUIIHS-CQSZACIVSA-N 0 0 324.490 3.313 20 10 DGCDRN C[C@@H](NC(=O)NCCc1cccs1)c1ccc(N(C)C)cc1 ZINC000773111247 622985678 /nfs/dbraw/zinc/98/56/78/622985678.db2.gz MMMVWKKMIYPYGT-CYBMUJFWSA-N 0 0 317.458 3.417 20 10 DGCDRN Cc1ccc(CCNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000773196856 622997804 /nfs/dbraw/zinc/99/78/04/622997804.db2.gz GNYGTGPSASZSOJ-AWEZNQCLSA-N 0 0 315.417 3.257 20 10 DGCDRN Cc1ccccc1NC(=S)NCc1ccc(OC(F)F)cn1 ZINC000773202738 622998767 /nfs/dbraw/zinc/99/87/67/622998767.db2.gz ZJJKRKOMYGYCBH-UHFFFAOYSA-N 0 0 323.368 3.478 20 10 DGCDRN CS[C@H](C)CCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000773232786 623003442 /nfs/dbraw/zinc/00/34/42/623003442.db2.gz SVYBDHKPGXIICE-CQSZACIVSA-N 0 0 306.475 3.435 20 10 DGCDRN C[C@@H](NC(=O)NC1CCSCC1)c1ccc(N(C)C)cc1 ZINC000773305715 623011031 /nfs/dbraw/zinc/01/10/31/623011031.db2.gz ITMGDMLLWQGEKK-GFCCVEGCSA-N 0 0 307.463 3.008 20 10 DGCDRN CCCOc1ccc(CN[C@@H](C(N)=O)c2ccccc2)cc1C ZINC000873010086 623017146 /nfs/dbraw/zinc/01/71/46/623017146.db2.gz ABHGHHSUAMUFBV-GOSISDBHSA-N 0 0 312.413 3.100 20 10 DGCDRN C[C@@H](C(=O)NCc1ccccc1O)c1cn(C)c2ccccc12 ZINC000773398695 623022784 /nfs/dbraw/zinc/02/27/84/623022784.db2.gz SQCVDWRAYNQOJL-CYBMUJFWSA-N 0 0 308.381 3.304 20 10 DGCDRN Cc1cc(C(=O)NOc2ccccc2)c(C)n1-c1ccccn1 ZINC000773465608 623031159 /nfs/dbraw/zinc/03/11/59/623031159.db2.gz HDOXHULKUCPBLC-UHFFFAOYSA-N 0 0 307.353 3.213 20 10 DGCDRN CCCOc1ccc(CNCc2nn(C)cc2Cl)cc1C ZINC000873130692 623042589 /nfs/dbraw/zinc/04/25/89/623042589.db2.gz GEIYKVZGOXFZEN-UHFFFAOYSA-N 0 0 307.825 3.461 20 10 DGCDRN CC[C@H](C)n1ncc(C(=O)NCc2ccc(N(C)C)cc2)c1C ZINC000790200236 625616069 /nfs/dbraw/zinc/61/60/69/625616069.db2.gz SBVCNGWHELUMSM-ZDUSSCGKSA-N 0 0 314.433 3.159 20 10 DGCDRN CCC[C@H]1CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000773614548 623051784 /nfs/dbraw/zinc/05/17/84/623051784.db2.gz ANISIEGCVJPZKU-PBHICJAKSA-N 0 0 319.449 3.024 20 10 DGCDRN C[C@@H](NC(=O)N(C)C[C@@H]1CCCCO1)c1ccc(N(C)C)cc1 ZINC000773622694 623052546 /nfs/dbraw/zinc/05/25/46/623052546.db2.gz RWOCTDWUXQOEOH-PBHICJAKSA-N 0 0 319.449 3.024 20 10 DGCDRN C[C@H](NC(=O)NCc1ccc(O)cc1)c1ccc(N(C)C)cc1 ZINC000773627459 623052946 /nfs/dbraw/zinc/05/29/46/623052946.db2.gz XVHDFYIGDDTZNS-ZDUSSCGKSA-N 0 0 313.401 3.019 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1CCCSC1)c1ccc(N(C)C)cc1 ZINC000773627565 623053463 /nfs/dbraw/zinc/05/34/63/623053463.db2.gz OZPGDCYQLYBPJD-GXTWGEPZSA-N 0 0 307.463 3.008 20 10 DGCDRN CCN(C)c1ccc(CN2CCN(Cc3ccco3)CC2)cc1 ZINC000773734984 623065323 /nfs/dbraw/zinc/06/53/23/623065323.db2.gz VIVQOYZWIYNYMS-UHFFFAOYSA-N 0 0 313.445 3.054 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000773748258 623066463 /nfs/dbraw/zinc/06/64/63/623066463.db2.gz IPMWGGRSQVBHHR-MCIONIFRSA-N 0 0 305.418 3.361 20 10 DGCDRN Cc1ccc2[nH]c(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cc2c1 ZINC000773751010 623067433 /nfs/dbraw/zinc/06/74/33/623067433.db2.gz ZEIWKRAHBVFEPB-GFCCVEGCSA-N 0 0 324.380 3.249 20 10 DGCDRN CCOc1ccc(N(CC)Cc2cccc(C(=O)OC)n2)cc1 ZINC000773775844 623072483 /nfs/dbraw/zinc/07/24/83/623072483.db2.gz KRFSCZSXERGPEU-UHFFFAOYSA-N 0 0 314.385 3.293 20 10 DGCDRN CN(C)c1ccc(/C=C/C[N@@H+]2CCOc3cc(N)ccc3C2)cc1 ZINC000873219102 623077697 /nfs/dbraw/zinc/07/76/97/623077697.db2.gz VNDRRYUOHHXUIN-ONEGZZNKSA-N 0 0 323.440 3.243 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN[C@]12CCC[C@H]1[NH2+]CC2 ZINC000873230020 623082908 /nfs/dbraw/zinc/08/29/08/623082908.db2.gz KYCIINJMOQGRQS-OCCSQVGLSA-N 0 0 301.217 3.073 20 10 DGCDRN CCN(C)c1ccc(CN[C@H](c2nc[nH]n2)c2ccccc2)cc1 ZINC000773887070 623085038 /nfs/dbraw/zinc/08/50/38/623085038.db2.gz AGBSWOZQJVDBRH-SFHVURJKSA-N 0 0 321.428 3.140 20 10 DGCDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(N(C)C)cc1 ZINC000773994558 623097380 /nfs/dbraw/zinc/09/73/80/623097380.db2.gz NRGZLXZPKWZIKY-GFCCVEGCSA-N 0 0 313.357 3.152 20 10 DGCDRN C[C@H]([NH2+]CCN1CCCC(C)(C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000774486980 623151985 /nfs/dbraw/zinc/15/19/85/623151985.db2.gz KCAUTQINCGCTJC-ZDUSSCGKSA-N 0 0 321.421 3.073 20 10 DGCDRN CCCn1ncnc1CN(C)Cc1ccc(N(CC)CC)cc1 ZINC000790268964 625625247 /nfs/dbraw/zinc/62/52/47/625625247.db2.gz UMPCSWGBXHKMGB-UHFFFAOYSA-N 0 0 315.465 3.166 20 10 DGCDRN CC(C)CN1CC(=O)N[C@H]1c1cc(Cl)c2ccccc2c1O ZINC000774545893 623158966 /nfs/dbraw/zinc/15/89/66/623158966.db2.gz BLTDPANALQVSGY-QGZVFWFLSA-N 0 0 318.804 3.285 20 10 DGCDRN CC[C@@H](CSC)NC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000774681636 623175515 /nfs/dbraw/zinc/17/55/15/623175515.db2.gz AIAYLMLQZFWZPQ-HNNXBMFYSA-N 0 0 323.506 3.474 20 10 DGCDRN CCOC(=O)CCCCCN1CCOc2cc(N(C)C)ccc21 ZINC000774751736 623186909 /nfs/dbraw/zinc/18/69/09/623186909.db2.gz HJXWTQOKGPFVJJ-UHFFFAOYSA-N 0 0 320.433 3.075 20 10 DGCDRN CC[C@@H]1CCCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774904292 623206514 /nfs/dbraw/zinc/20/65/14/623206514.db2.gz GIFKSIMDKDOQSE-CYBMUJFWSA-N 0 0 308.378 3.464 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CCCC(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000774909517 623207724 /nfs/dbraw/zinc/20/77/24/623207724.db2.gz RDJDSESWZQEBQB-UHFFFAOYSA-N 0 0 308.378 3.321 20 10 DGCDRN COc1c([O-])c(C[NH2+]CC2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000774974944 623213002 /nfs/dbraw/zinc/21/30/02/623213002.db2.gz MNOTYOIEFMPTPO-UHFFFAOYSA-N 0 0 308.378 3.225 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000775054249 623222417 /nfs/dbraw/zinc/22/24/17/623222417.db2.gz MFYKUKOWERIZNS-SJKOYZFVSA-N 0 0 320.389 3.321 20 10 DGCDRN C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000873976321 623225883 /nfs/dbraw/zinc/22/58/83/623225883.db2.gz HLLNEANNTDPYIN-SMDDNHRTSA-N 0 0 302.378 3.500 20 10 DGCDRN COc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)c1F ZINC000775072712 623227666 /nfs/dbraw/zinc/22/76/66/623227666.db2.gz YVGQUKOAIWRWON-UHFFFAOYSA-N 0 0 322.292 3.069 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000775157872 623236873 /nfs/dbraw/zinc/23/68/73/623236873.db2.gz KXGJWKQZHNWIPD-AWEZNQCLSA-N 0 0 312.816 3.291 20 10 DGCDRN CCC(CC)N(CCOC)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874083888 623237671 /nfs/dbraw/zinc/23/76/71/623237671.db2.gz XREJYWNVSVRDEA-UHFFFAOYSA-N 0 0 320.393 3.126 20 10 DGCDRN CCNC(=O)c1ccc(NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000775181829 623238330 /nfs/dbraw/zinc/23/83/30/623238330.db2.gz WNZBCVLRNFGGRA-UHFFFAOYSA-N 0 0 315.392 3.254 20 10 DGCDRN COCc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)cc1 ZINC000775180032 623238612 /nfs/dbraw/zinc/23/86/12/623238612.db2.gz IZHGWXOKMQQXGE-UHFFFAOYSA-N 0 0 318.329 3.068 20 10 DGCDRN Cc1cc(O)ccc1NS(=O)(=O)c1ccc2ncsc2c1 ZINC000775281608 623249290 /nfs/dbraw/zinc/24/92/90/623249290.db2.gz XLDBKWQQYFALGM-UHFFFAOYSA-N 0 0 320.395 3.111 20 10 DGCDRN CC(=O)C(C)(C)CCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775404214 623269548 /nfs/dbraw/zinc/26/95/48/623269548.db2.gz MAKFULSVZZRPFU-ZDUSSCGKSA-N 0 0 304.434 3.325 20 10 DGCDRN Cc1[nH]nc(C(C)C)c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775405636 623270646 /nfs/dbraw/zinc/27/06/46/623270646.db2.gz SVTVAJJADWHDFC-GFCCVEGCSA-N 0 0 314.433 3.399 20 10 DGCDRN CC[C@@H](NCc1ncn(-c2ccccc2)n1)c1ccccc1O ZINC000775414278 623272130 /nfs/dbraw/zinc/27/21/30/623272130.db2.gz HJBOHSCJHKMZNW-MRXNPFEDSA-N 0 0 308.385 3.214 20 10 DGCDRN Cc1nc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)oc1C ZINC000775434312 623274186 /nfs/dbraw/zinc/27/41/86/623274186.db2.gz JQVRJCKZHDCNQL-NSHDSACASA-N 0 0 302.378 3.240 20 10 DGCDRN Cc1nc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)oc1C ZINC000775434311 623274586 /nfs/dbraw/zinc/27/45/86/623274586.db2.gz JQVRJCKZHDCNQL-LLVKDONJSA-N 0 0 302.378 3.240 20 10 DGCDRN CCNC(=O)[C@@H](C)[NH2+][C@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775485227 623278734 /nfs/dbraw/zinc/27/87/34/623278734.db2.gz QRSIGUQQYKBZQM-LDYMZIIASA-N 0 0 319.232 3.264 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](C)CC(N)=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000775513986 623283154 /nfs/dbraw/zinc/28/31/54/623283154.db2.gz PXZOSMLCYNSRIJ-OIBJUYFYSA-N 0 0 305.205 3.004 20 10 DGCDRN Cc1cc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)sn1 ZINC000775657075 623305809 /nfs/dbraw/zinc/30/58/09/623305809.db2.gz FQUSVERDPOPJAS-NSHDSACASA-N 0 0 304.419 3.400 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000775657890 623306587 /nfs/dbraw/zinc/30/65/87/623306587.db2.gz BLYNVAHANFASGV-CQSZACIVSA-N 0 0 312.816 3.245 20 10 DGCDRN Cn1nccc1[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775660774 623307845 /nfs/dbraw/zinc/30/78/45/623307845.db2.gz YFGBQVVSNWOPMA-NSHDSACASA-N 0 0 323.799 3.298 20 10 DGCDRN CC[N@@H+]1C[C@@H](C)N(Cc2cc(Cl)cc(F)c2[O-])C[C@H]1C ZINC000775711986 623316849 /nfs/dbraw/zinc/31/68/49/623316849.db2.gz LQQBZMCJWZGNBZ-GHMZBOCLSA-N 0 0 300.805 3.099 20 10 DGCDRN CC[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])[C@@H](CC)CN1C(C)=O ZINC000775720274 623318216 /nfs/dbraw/zinc/31/82/16/623318216.db2.gz KPMKHXMBXUQURR-LSDHHAIUSA-N 0 0 324.852 3.267 20 10 DGCDRN C[N@H+](CCC1CCOCC1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775714561 623318498 /nfs/dbraw/zinc/31/84/98/623318498.db2.gz SPEGHEYLSNXOCF-UHFFFAOYSA-N 0 0 301.789 3.433 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1n1ccnc1 ZINC000775738244 623321581 /nfs/dbraw/zinc/32/15/81/623321581.db2.gz XFUNCAWPVZPHIU-ABAIWWIYSA-N 0 0 323.799 3.464 20 10 DGCDRN C[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@H]1n1ccnc1 ZINC000775738247 623321665 /nfs/dbraw/zinc/32/16/65/623321665.db2.gz XFUNCAWPVZPHIU-XHDPSFHLSA-N 0 0 323.799 3.464 20 10 DGCDRN C[C@H](NCc1nc(-c2ccco2)no1)c1ccc(N(C)C)cc1 ZINC000775830514 623338165 /nfs/dbraw/zinc/33/81/65/623338165.db2.gz LAXACVPRHWZCGI-LBPRGKRZSA-N 0 0 312.373 3.246 20 10 DGCDRN C[C@@H](NCc1nc(-c2ccco2)no1)c1ccc(N(C)C)cc1 ZINC000775830513 623338348 /nfs/dbraw/zinc/33/83/48/623338348.db2.gz LAXACVPRHWZCGI-GFCCVEGCSA-N 0 0 312.373 3.246 20 10 DGCDRN C[C@@H](NCC(=O)OCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000775833799 623339876 /nfs/dbraw/zinc/33/98/76/623339876.db2.gz MQQCKUJHWWTIAB-OAHLLOKOSA-N 0 0 312.413 3.147 20 10 DGCDRN Cc1ccc(C(=O)N2CCC[C@H](C(F)(F)F)[C@H]2C)c(O)c1O ZINC000775939339 623354946 /nfs/dbraw/zinc/35/49/46/623354946.db2.gz DIROUZBWKSXPIU-KOLCDFICSA-N 0 0 317.307 3.209 20 10 DGCDRN CC(=O)Nc1cccc(C[NH2+]Cc2cccc(Cl)c2[O-])c1 ZINC000775990673 623362350 /nfs/dbraw/zinc/36/23/50/623362350.db2.gz VABKVEIUZSUJGZ-UHFFFAOYSA-N 0 0 304.777 3.294 20 10 DGCDRN COC(=O)[C@H]1C[C@@H](C)CCN1Cc1cc(Cl)cc(C)c1O ZINC000776004233 623363651 /nfs/dbraw/zinc/36/36/51/623363651.db2.gz ZUBSJACONAMFAD-IINYFYTJSA-N 0 0 311.809 3.128 20 10 DGCDRN C[C@@H]1CCCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000776127342 623382052 /nfs/dbraw/zinc/38/20/52/623382052.db2.gz NEVQVCGHDZMGFA-CYBMUJFWSA-N 0 0 307.413 3.223 20 10 DGCDRN CCN(C[C@@H]1CCCO1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776244457 623400999 /nfs/dbraw/zinc/40/09/99/623400999.db2.gz JKNCGHGCYLYRTB-YOEHRIQHSA-N 0 0 319.449 3.024 20 10 DGCDRN COc1ccc(NCc2cc(Br)cc(C)c2O)nc1 ZINC000776250219 623401871 /nfs/dbraw/zinc/40/18/71/623401871.db2.gz FBAIEYTUJQHZCR-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN CCOc1ccc2c(c1)[C@H](NC(=O)C1=CC(=O)CS1)CCO2 ZINC000776270041 623404295 /nfs/dbraw/zinc/40/42/95/623404295.db2.gz OTSNURKBIATRPB-CYBMUJFWSA-N 0 0 319.382 3.106 20 10 DGCDRN CCCn1c2ccccc2nc1NC(=O)c1cccc(O)c1O ZINC000776328027 623412064 /nfs/dbraw/zinc/41/20/64/623412064.db2.gz WXKCUMGFKALJML-UHFFFAOYSA-N 0 0 311.341 3.110 20 10 DGCDRN O=C(NCC1(Cc2ccccc2)CCC1)c1cccc(O)c1O ZINC000776354952 623415660 /nfs/dbraw/zinc/41/56/60/623415660.db2.gz JXPUOEJSLIEWCC-UHFFFAOYSA-N 0 0 311.381 3.241 20 10 DGCDRN Cc1cc(C(=O)OCCCCCCO)c(C)n1-c1ccccn1 ZINC000776371521 623418906 /nfs/dbraw/zinc/41/89/06/623418906.db2.gz AIKLCRMKESKCKY-UHFFFAOYSA-N 0 0 316.401 3.199 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1CCOC2(CCCC2)C1)c1ccccc1O ZINC000875392507 623445455 /nfs/dbraw/zinc/44/54/55/623445455.db2.gz BGIGKOSOWPHCRQ-ZIAGYGMSSA-N 0 0 318.417 3.244 20 10 DGCDRN CC(C)OC1CCC(NC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000875414154 623447967 /nfs/dbraw/zinc/44/79/67/623447967.db2.gz TYWTVSSGSKBMPF-UHFFFAOYSA-N 0 0 318.417 3.154 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C(C)(Cl)Cl)cc1 ZINC000776835121 623470143 /nfs/dbraw/zinc/47/01/43/623470143.db2.gz OVEWLXZOUJKGBM-UHFFFAOYSA-N 0 0 303.233 3.343 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1COCc2ccccc21)c1ccccc1O ZINC000875675817 623478556 /nfs/dbraw/zinc/47/85/56/623478556.db2.gz YCVNLMSRGVIDSK-LRDDRELGSA-N 0 0 312.369 3.024 20 10 DGCDRN CCCc1nc(C)c(NC(=O)NCc2ccccc2O)s1 ZINC000777013685 623485462 /nfs/dbraw/zinc/48/54/62/623485462.db2.gz CAQOQQLQVRTUOU-UHFFFAOYSA-N 0 0 305.403 3.431 20 10 DGCDRN C[C@H](NC(=O)N1Cc2cccc(O)c2C1)C1CCC(F)CC1 ZINC000875748073 623488091 /nfs/dbraw/zinc/48/80/91/623488091.db2.gz WHYSKWSYWLLAOZ-DCBWTQNWSA-N 0 0 306.381 3.334 20 10 DGCDRN Cc1ncc([C@@H](C)NC(=O)N(C)Cc2ccccc2O)s1 ZINC000876014570 623524108 /nfs/dbraw/zinc/52/41/08/623524108.db2.gz KZIKQUHTTCHTHC-SNVBAGLBSA-N 0 0 305.403 3.060 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)NOC1CCCCC1 ZINC000777452319 623527601 /nfs/dbraw/zinc/52/76/01/623527601.db2.gz FNNSZRXTFKRFND-UHFFFAOYSA-N 0 0 317.433 3.350 20 10 DGCDRN O=C1NCCc2ccc(NCc3cc(Cl)cc(F)c3O)cc21 ZINC000777496556 623532437 /nfs/dbraw/zinc/53/24/37/623532437.db2.gz PFVJWBGEVXGRQE-UHFFFAOYSA-N 0 0 320.751 3.083 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1nccn2c1nnc2C(C)C ZINC000777762393 623565316 /nfs/dbraw/zinc/56/53/16/623565316.db2.gz JDGNGUPVLSQGFH-UHFFFAOYSA-N 0 0 324.432 3.234 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1N(C)CCCC1(C)C)c1cc(F)cc(F)c1[O-] ZINC000790495874 625660934 /nfs/dbraw/zinc/66/09/34/625660934.db2.gz CZEMILOMOBHVDA-NHYWBVRUSA-N 0 0 312.404 3.441 20 10 DGCDRN Cc1ccc(/C=C\C(=O)N2CCN(C)c3cc(F)ccc32)cn1 ZINC000777864057 623577164 /nfs/dbraw/zinc/57/71/64/623577164.db2.gz IAIFQDHRFXFYET-YVMONPNESA-N 0 0 311.360 3.025 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H](F)Cc2ccccc2)cc1 ZINC000778228961 623628835 /nfs/dbraw/zinc/62/88/35/623628835.db2.gz VQBLRMAYZNCLKB-SFHVURJKSA-N 0 0 314.404 3.292 20 10 DGCDRN Cc1cc(C(=O)N(C)C[C@@H](C)O)c(C)n1-c1cc(C)cc(C)c1 ZINC000125997581 623629283 /nfs/dbraw/zinc/62/92/83/623629283.db2.gz OJYIKJYGVHKIGB-OAHLLOKOSA-N 0 0 314.429 3.164 20 10 DGCDRN Nc1ccc(NC(=O)c2nc(C(F)(F)F)n3c2CCCC3)cc1 ZINC000876504853 623629492 /nfs/dbraw/zinc/62/94/92/623629492.db2.gz ZALKSXKKZNMZLS-UHFFFAOYSA-N 0 0 324.306 3.073 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)N1CCN(C2CC2)c2ccccc21 ZINC000778258434 623633325 /nfs/dbraw/zinc/63/33/25/623633325.db2.gz JFDWGZBOSDJZKJ-RMKNXTFCSA-N 0 0 319.408 3.419 20 10 DGCDRN Nc1ccc(CCNC(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000876528191 623634349 /nfs/dbraw/zinc/63/43/49/623634349.db2.gz RZAGNXSIIHQFAP-QZTJIDSGSA-N 0 0 312.388 3.260 20 10 DGCDRN C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876723970 623689560 /nfs/dbraw/zinc/68/95/60/623689560.db2.gz JVLCLZLYQRUZFB-LLVKDONJSA-N 0 0 307.340 3.439 20 10 DGCDRN [O-]c1c(CN2CCC[C@@H]([NH+]3CCCC3)CC2)ccc(F)c1F ZINC000876753864 623698085 /nfs/dbraw/zinc/69/80/85/623698085.db2.gz BDGQMBYTNPCKJO-CQSZACIVSA-N 0 0 310.388 3.121 20 10 DGCDRN O=C(Cc1csc2ccccc12)NCc1ccc(O)c(O)c1 ZINC000778917119 623711268 /nfs/dbraw/zinc/71/12/68/623711268.db2.gz XQGINAQBDVPUOR-UHFFFAOYSA-N 0 0 313.378 3.171 20 10 DGCDRN Cc1cc(NC(=O)c2cccc(O)c2O)ccc1Br ZINC000126171586 623716364 /nfs/dbraw/zinc/71/63/64/623716364.db2.gz OOHFFGFULYBWRV-UHFFFAOYSA-N 0 0 322.158 3.421 20 10 DGCDRN COc1cc(NCc2ccc(C)cc2O)cc(OC)c1OC ZINC000876819314 623717158 /nfs/dbraw/zinc/71/71/58/623717158.db2.gz FVYUSGDABAQINH-UHFFFAOYSA-N 0 0 303.358 3.339 20 10 DGCDRN Cc1ccc(CNc2cccc(CN3CCCC3=O)c2)c(O)c1 ZINC000876822713 623718893 /nfs/dbraw/zinc/71/88/93/623718893.db2.gz IGKZETXAGYEASS-UHFFFAOYSA-N 0 0 310.397 3.435 20 10 DGCDRN COCCOc1ccc(NCc2ccc(C)cc2O)cc1F ZINC000876823590 623719728 /nfs/dbraw/zinc/71/97/28/623719728.db2.gz NIGCFOXUHSNJGX-UHFFFAOYSA-N 0 0 305.349 3.477 20 10 DGCDRN Cc1ccc(CNc2ccc(CN3CCOC3=O)cc2)c(O)c1 ZINC000876824790 623720440 /nfs/dbraw/zinc/72/04/40/623720440.db2.gz DRJGUDWPTFDFKX-UHFFFAOYSA-N 0 0 312.369 3.265 20 10 DGCDRN Oc1ccc(F)cc1CN1CCN(c2cc(F)ccc2F)CC1 ZINC000779019582 623722065 /nfs/dbraw/zinc/72/20/65/623722065.db2.gz PSBURLWQVYNXAR-UHFFFAOYSA-N 0 0 322.330 3.132 20 10 DGCDRN CCOC[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000779070975 623727564 /nfs/dbraw/zinc/72/75/64/623727564.db2.gz CEBKWMTYPAIVBE-IUCAKERBSA-N 0 0 320.202 3.369 20 10 DGCDRN COc1cc(OC)c(OC)cc1NCc1c(C)cccc1O ZINC000876867873 623732671 /nfs/dbraw/zinc/73/26/71/623732671.db2.gz ONUMILAFXWTOPF-UHFFFAOYSA-N 0 0 303.358 3.339 20 10 DGCDRN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H]1CCCC[C@H]1O ZINC000779154989 623735466 /nfs/dbraw/zinc/73/54/66/623735466.db2.gz XVRDFQAPQLYSJS-IINYFYTJSA-N 0 0 301.789 3.168 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccc2c(c1)OCO2 ZINC000876919592 623744059 /nfs/dbraw/zinc/74/40/59/623744059.db2.gz WWZRBINFFUWWQG-VIFPVBQESA-N 0 0 307.296 3.250 20 10 DGCDRN COc1cccc(CC[NH2+]Cc2ccc(F)c(F)c2[O-])c1OC ZINC000876945791 623751587 /nfs/dbraw/zinc/75/15/87/623751587.db2.gz CDFIMRIZDYNLTD-UHFFFAOYSA-N 0 0 323.339 3.020 20 10 DGCDRN CN(C)[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])c1ccc(F)cc1 ZINC000876949027 623752192 /nfs/dbraw/zinc/75/21/92/623752192.db2.gz OCDKNPCZBISNGB-HNNXBMFYSA-N 0 0 324.346 3.202 20 10 DGCDRN CCN(CC)[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])c1ccco1 ZINC000876989433 623761284 /nfs/dbraw/zinc/76/12/84/623761284.db2.gz ZAMBQYOBNBXXEM-CQSZACIVSA-N 0 0 324.371 3.436 20 10 DGCDRN COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000779432190 623770290 /nfs/dbraw/zinc/77/02/90/623770290.db2.gz NLCKCGIOSRQTPV-WBMJQRKESA-N 0 0 311.809 3.257 20 10 DGCDRN Cc1ccc(/C=C\C(=O)N2CCOc3c(Cl)cccc32)cn1 ZINC000779472803 623773243 /nfs/dbraw/zinc/77/32/43/623773243.db2.gz JZBFXCOIOXRIPA-FPLPWBNLSA-N 0 0 314.772 3.482 20 10 DGCDRN CCC1CCC(CNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000779480359 623774151 /nfs/dbraw/zinc/77/41/51/623774151.db2.gz SPPJWEOZBWAPPV-CSKARUKUSA-N 0 0 303.402 3.444 20 10 DGCDRN C[C@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779489731 623774316 /nfs/dbraw/zinc/77/43/16/623774316.db2.gz SRZYVSZFMIJSGP-TZNOJPMFSA-N 0 0 315.394 3.318 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCc2ccc(F)cc21 ZINC000779513114 623776059 /nfs/dbraw/zinc/77/60/59/623776059.db2.gz DTJGPTLSYMBETO-FTPZRKARSA-N 0 0 313.328 3.054 20 10 DGCDRN Cc1cccc2c1CC[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779514865 623776711 /nfs/dbraw/zinc/77/67/11/623776711.db2.gz NKVMEUVQWOQSMX-DHINHOHASA-N 0 0 309.365 3.223 20 10 DGCDRN COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877075745 623784934 /nfs/dbraw/zinc/78/49/34/623784934.db2.gz GRWBFOODNOPMFA-CQSZACIVSA-N 0 0 307.340 3.018 20 10 DGCDRN Cc1ccc(C(=O)CCC(=O)N(C)c2ccc(N)cc2)s1 ZINC000877075566 623785072 /nfs/dbraw/zinc/78/50/72/623785072.db2.gz GZJLVPFUOZKZGX-UHFFFAOYSA-N 0 0 302.399 3.265 20 10 DGCDRN CN(C(=O)Cc1csc(C(C)(C)C)n1)c1ccc(N)cc1 ZINC000877077648 623785933 /nfs/dbraw/zinc/78/59/33/623785933.db2.gz PZPJKULISMZVRK-UHFFFAOYSA-N 0 0 303.431 3.228 20 10 DGCDRN CN(C(=O)c1ccc(N2CCCCCC2)nc1)c1ccc(N)cc1 ZINC000877077812 623785968 /nfs/dbraw/zinc/78/59/68/623785968.db2.gz VNMDQMRBXJGRJH-UHFFFAOYSA-N 0 0 324.428 3.321 20 10 DGCDRN CN(C(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1ccc(N)cc1 ZINC000877078032 623786154 /nfs/dbraw/zinc/78/61/54/623786154.db2.gz AEKGUYOQSMBMFR-UHFFFAOYSA-N 0 0 312.417 3.374 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CC=C(c2ccccc2)C1 ZINC000779678744 623786909 /nfs/dbraw/zinc/78/69/09/623786909.db2.gz CLIFIJUVSUZIHR-CLFYSBASSA-N 0 0 307.349 3.037 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1ccc(C(F)F)nc1 ZINC000877372934 623860685 /nfs/dbraw/zinc/86/06/85/623860685.db2.gz KMOPLUSOAMHLNG-UHFFFAOYSA-N 0 0 319.355 3.484 20 10 DGCDRN CCCOc1ccc(CN[C@H](CC(F)F)C(=O)OC)cc1C ZINC000877468739 623896980 /nfs/dbraw/zinc/89/69/80/623896980.db2.gz FLOITLJYXXNIRM-CYBMUJFWSA-N 0 0 315.360 3.070 20 10 DGCDRN OC1CCN(c2ccc(CNc3cccc4c3CCO4)cc2)CC1 ZINC000877490989 623909193 /nfs/dbraw/zinc/90/91/93/623909193.db2.gz DLUUZBRBRYGCBN-UHFFFAOYSA-N 0 0 324.424 3.195 20 10 DGCDRN Cc1cccc(O)c1CNc1cccc(N2C(=O)CCCC2=O)c1 ZINC000877490265 623909295 /nfs/dbraw/zinc/90/92/95/623909295.db2.gz WTCSUGPZDULNGK-UHFFFAOYSA-N 0 0 324.380 3.356 20 10 DGCDRN Cc1cccc(O)c1CNc1ccc(OC(C)C)c(C(N)=O)c1 ZINC000877492992 623910170 /nfs/dbraw/zinc/91/01/70/623910170.db2.gz AHTOJOFXUIRURN-UHFFFAOYSA-N 0 0 314.385 3.199 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)ccc(F)c1F ZINC000877553475 623939130 /nfs/dbraw/zinc/93/91/30/623939130.db2.gz SYBXACPMMPTTGD-MRXNPFEDSA-N 0 0 309.356 3.061 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OCc1ccn(C)n1 ZINC000780502681 623940584 /nfs/dbraw/zinc/94/05/84/623940584.db2.gz VWNZLAKFBBXCTE-UHFFFAOYSA-N 0 0 315.398 3.246 20 10 DGCDRN Cc1cccc(O)c1CN(C)Cc1csc(C(C)(C)O)n1 ZINC000877573286 623948769 /nfs/dbraw/zinc/94/87/69/623948769.db2.gz NYIUBYHZKJJUTC-UHFFFAOYSA-N 0 0 306.431 3.017 20 10 DGCDRN C[C@@H](NC(=O)c1cccc(O)c1O)c1nc2ccccc2s1 ZINC000790717915 625689954 /nfs/dbraw/zinc/68/99/54/625689954.db2.gz FJVGHTFYKDKNPE-SECBINFHSA-N 0 0 314.366 3.199 20 10 DGCDRN C[C@@H]1CC[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000780784145 623983901 /nfs/dbraw/zinc/98/39/01/623983901.db2.gz JRXHNJYXHWQNKT-TZMCWYRMSA-N 0 0 302.418 3.259 20 10 DGCDRN COc1cc(Cl)cc(CNc2cncc(N(C)C)c2)c1O ZINC000877668045 623985045 /nfs/dbraw/zinc/98/50/45/623985045.db2.gz MTKAAZHWKZUMRB-UHFFFAOYSA-N 0 0 307.781 3.127 20 10 DGCDRN CC[C@](NCc1cccc(C)c1O)(C(=O)OC)c1ccccc1 ZINC000877676506 623988296 /nfs/dbraw/zinc/98/82/96/623988296.db2.gz WZIAJMXGKTWIPR-LJQANCHMSA-N 0 0 313.397 3.269 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NCC2CC(C)(C)C2)cc1 ZINC000780872517 623992729 /nfs/dbraw/zinc/99/27/29/623992729.db2.gz CCINRHVHWVQLMU-UHFFFAOYSA-N 0 0 303.450 3.330 20 10 DGCDRN Oc1cc(Br)ccc1CNc1cnn2c1CCCC2 ZINC000877692485 623994117 /nfs/dbraw/zinc/99/41/17/623994117.db2.gz CWZXTGRKZGEWRD-UHFFFAOYSA-N 0 0 322.206 3.300 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H](C)Cc2ccccc2Cl)c(O)c1O ZINC000780891852 623994346 /nfs/dbraw/zinc/99/43/46/623994346.db2.gz AKGSSTQJXVSJGS-NSHDSACASA-N 0 0 319.788 3.421 20 10 DGCDRN C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000877696723 623994901 /nfs/dbraw/zinc/99/49/01/623994901.db2.gz WWRONMJMIZFUBP-KRWDZBQOSA-N 0 0 323.795 3.268 20 10 DGCDRN CCOc1cc(NC(=O)c2ccc(C)c(O)c2O)ccc1OC ZINC000780895793 623995399 /nfs/dbraw/zinc/99/53/99/623995399.db2.gz GDHOXPXTMVFYLL-UHFFFAOYSA-N 0 0 317.341 3.066 20 10 DGCDRN COc1cc(F)cc(OC)c1CN1Cc2cccc(O)c2C1 ZINC000877703246 623998954 /nfs/dbraw/zinc/99/89/54/623998954.db2.gz YBDYHTCGMCFHFW-UHFFFAOYSA-N 0 0 303.333 3.064 20 10 DGCDRN Cc1ccc(-c2cc(C(=O)NCc3ccccc3O)[nH]n2)cc1C ZINC000780929990 624000120 /nfs/dbraw/zinc/00/01/20/624000120.db2.gz ACPPJLKVYCPKOS-UHFFFAOYSA-N 0 0 321.380 3.329 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000877709474 624000772 /nfs/dbraw/zinc/00/07/72/624000772.db2.gz ACVJSGXYCKQKLH-NHYWBVRUSA-N 0 0 313.800 3.480 20 10 DGCDRN CSc1ccc(F)cc1CNC(=O)c1ccc(C)c(O)c1O ZINC000780956046 624003716 /nfs/dbraw/zinc/00/37/16/624003716.db2.gz IRUGTXJJGMRRCR-UHFFFAOYSA-N 0 0 321.373 3.197 20 10 DGCDRN Cc1nocc1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000888750633 624006082 /nfs/dbraw/zinc/00/60/82/624006082.db2.gz CFJRNRCVIYJOSA-UHFFFAOYSA-N 0 0 314.389 3.246 20 10 DGCDRN CCCOc1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000781015969 624009896 /nfs/dbraw/zinc/00/98/96/624009896.db2.gz SSJNBWMTPWRKHM-UHFFFAOYSA-N 0 0 301.342 3.447 20 10 DGCDRN Cc1ccc(C(=O)N2C[C@H](C(F)(F)F)CC[C@H]2C)c(O)c1O ZINC000781048272 624014067 /nfs/dbraw/zinc/01/40/67/624014067.db2.gz HHLIHKWVVUQLKO-NXEZZACHSA-N 0 0 317.307 3.209 20 10 DGCDRN Cc1ccc(N2C(=O)/C(=C/c3cncnc3)SC2=S)cc1 ZINC000781107105 624023581 /nfs/dbraw/zinc/02/35/81/624023581.db2.gz PQCZABQXMFZFIH-MLPAPPSSSA-N 0 0 313.407 3.191 20 10 DGCDRN CC(C)(O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000877796717 624037900 /nfs/dbraw/zinc/03/79/00/624037900.db2.gz KOQUSEARFDZZSZ-NSHDSACASA-N 0 0 301.789 3.168 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC(OC(F)F)C2)cc1 ZINC000781207312 624038984 /nfs/dbraw/zinc/03/89/84/624038984.db2.gz VPRPXEDQQQZINI-UHFFFAOYSA-N 0 0 320.339 3.158 20 10 DGCDRN COc1cccc2c1O[C@@H](c1cc(Cl)c(C)cc1O)NC2=O ZINC000877841890 624065712 /nfs/dbraw/zinc/06/57/12/624065712.db2.gz BLRCPQSUFSRCSB-INIZCTEOSA-N 0 0 319.744 3.184 20 10 DGCDRN CN(C)c1cc(F)c([C@H]2Nc3ccccc3C(=O)N2C)cc1F ZINC000877844411 624067341 /nfs/dbraw/zinc/06/73/41/624067341.db2.gz HCFFXZSADPAIPG-INIZCTEOSA-N 0 0 317.339 3.227 20 10 DGCDRN CC1(C)N[C@@H](c2cccc(F)c2O)N(CC2CCCCC2)C1=O ZINC000877857007 624071445 /nfs/dbraw/zinc/07/14/45/624071445.db2.gz JYQOHAVOLBTDDM-MRXNPFEDSA-N 0 0 320.408 3.321 20 10 DGCDRN CN(C)c1ccc([C@H]2Nc3cc(F)c(F)cc3C(=O)N2)cc1F ZINC000877858175 624071538 /nfs/dbraw/zinc/07/15/38/624071538.db2.gz IDFUDVSNHMNYAF-HNNXBMFYSA-N 0 0 321.302 3.024 20 10 DGCDRN Cc1ccc2c(c1)C(=O)N[C@H](c1cc(Cl)cc(F)c1O)N2 ZINC000877861978 624073437 /nfs/dbraw/zinc/07/34/37/624073437.db2.gz RLASIECMPMZBCY-CQSZACIVSA-N 0 0 306.724 3.347 20 10 DGCDRN Cc1cc(Br)c(O)c(CN2C[C@H](C)OC[C@@H]2C)c1 ZINC000781896039 624166615 /nfs/dbraw/zinc/16/66/15/624166615.db2.gz GMJHFZOKHPYCSJ-QWRGUYRKSA-N 0 0 314.223 3.072 20 10 DGCDRN Cc1cc(Br)c(O)c(CN2CCO[C@H](C)[C@H]2C)c1 ZINC000781908685 624169215 /nfs/dbraw/zinc/16/92/15/624169215.db2.gz KXKKEUVQFXMZSF-GHMZBOCLSA-N 0 0 314.223 3.072 20 10 DGCDRN COc1cc(C(=O)N(C)Cc2ccccc2O)ccc1Cl ZINC000129603775 625706062 /nfs/dbraw/zinc/70/60/62/625706062.db2.gz BPNCHONKUPKGLW-UHFFFAOYSA-N 0 0 305.761 3.326 20 10 DGCDRN CCN(C[C@@H]1CCC2(CCOCC2)O1)c1ccc(OC)cc1 ZINC000878220115 624220184 /nfs/dbraw/zinc/22/01/84/624220184.db2.gz YJYILZSJZPPWOQ-KRWDZBQOSA-N 0 0 305.418 3.250 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cnc(CC2CC2)s1 ZINC000878277098 624233643 /nfs/dbraw/zinc/23/36/43/624233643.db2.gz NPSHZWABMFNATE-UHFFFAOYSA-N 0 0 302.399 3.073 20 10 DGCDRN COc1ccc(O)c([C@@H](C)N[C@H](C(=O)OC(C)(C)C)C2CC2)c1 ZINC000878360767 624256109 /nfs/dbraw/zinc/25/61/09/624256109.db2.gz RJPPGARLVXSVKC-BZNIZROVSA-N 0 0 321.417 3.172 20 10 DGCDRN CCCCCn1nc(C)cc1NC(=O)c1cccc(O)c1O ZINC000790861241 625709078 /nfs/dbraw/zinc/70/90/78/625709078.db2.gz LJJOSLISYGAJFT-UHFFFAOYSA-N 0 0 303.362 3.045 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000127152319 624287577 /nfs/dbraw/zinc/28/75/77/624287577.db2.gz TZFDVQWMLQOJIG-ZWKOTPCHSA-N 0 0 309.413 3.108 20 10 DGCDRN CC(C)c1ccsc1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783114514 624311135 /nfs/dbraw/zinc/31/11/35/624311135.db2.gz WTXOITHGILDOEP-UHFFFAOYSA-N 0 0 320.366 3.322 20 10 DGCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2ccc(F)c(OC)c2)c1 ZINC000783306325 624336814 /nfs/dbraw/zinc/33/68/14/624336814.db2.gz HBHTXZXTUJGRMA-JTQLQIEISA-N 0 0 319.332 3.500 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)cnc2Cl)c1 ZINC000878730342 624349551 /nfs/dbraw/zinc/34/95/51/624349551.db2.gz HEZCFHTUMGATHQ-SNVBAGLBSA-N 0 0 320.776 3.249 20 10 DGCDRN O=C(N[C@@H]1CC[C@H](Cc2ccccc2)C1)c1cccc(O)c1O ZINC000783852940 624400645 /nfs/dbraw/zinc/40/06/45/624400645.db2.gz YGELKWWMBRQPME-HUUCEWRRSA-N 0 0 311.381 3.239 20 10 DGCDRN CC(C)[C@H](CC(F)(F)F)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000783870599 624402763 /nfs/dbraw/zinc/40/27/63/624402763.db2.gz XQWXXTOPBFNXNB-QZPNVGJNSA-N 0 0 317.307 3.204 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000783975476 624415041 /nfs/dbraw/zinc/41/50/41/624415041.db2.gz AHVPMIRDCMBOBQ-FNORWQNLSA-N 0 0 323.352 3.291 20 10 DGCDRN CCOc1ccc(N(Cc2noc(COC)n2)CC2CC2)cc1 ZINC000879117212 624431173 /nfs/dbraw/zinc/43/11/73/624431173.db2.gz LTOSETOGQYCUNH-UHFFFAOYSA-N 0 0 317.389 3.031 20 10 DGCDRN Cc1cc(Cl)cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c1 ZINC000784169875 624449539 /nfs/dbraw/zinc/44/95/39/624449539.db2.gz GONWVPCEIPYWKV-UHFFFAOYSA-N 0 0 320.728 3.099 20 10 DGCDRN COC(=O)COc1ccc(N(C)Cc2ccc(F)cc2C)cc1 ZINC000784559089 624547912 /nfs/dbraw/zinc/54/79/12/624547912.db2.gz ZVJZGLBVGQXYQN-UHFFFAOYSA-N 0 0 317.360 3.322 20 10 DGCDRN C[C@@H](OC(=O)c1cccc(O)c1O)C(=O)c1cccc(Cl)c1 ZINC000784796639 624582635 /nfs/dbraw/zinc/58/26/35/624582635.db2.gz BAMFBJHMWICDQM-SECBINFHSA-N 0 0 320.728 3.179 20 10 DGCDRN CC(C)CO[C@@H](C)c1noc(CN[C@H](C)c2ccccc2O)n1 ZINC000879648201 624621126 /nfs/dbraw/zinc/62/11/26/624621126.db2.gz DPKAHNZQRGQHFZ-OLZOCXBDSA-N 0 0 319.405 3.360 20 10 DGCDRN CCN(Cc1c[nH]c2ccccc12)C(=O)c1cccc(O)c1O ZINC000785434109 624665973 /nfs/dbraw/zinc/66/59/73/624665973.db2.gz JKVLQFPVJSGCGW-UHFFFAOYSA-N 0 0 310.353 3.241 20 10 DGCDRN CC[C@@H]([NH2+]CC[C@H](O)COC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806149757 624769131 /nfs/dbraw/zinc/76/91/31/624769131.db2.gz HHJGOHGNMCLDGM-GXFFZTMASA-N 0 0 322.232 3.137 20 10 DGCDRN COCC1(C(=O)NCc2ccc(N3CCCCC3)cc2)CCC1 ZINC000785982582 624775311 /nfs/dbraw/zinc/77/53/11/624775311.db2.gz OEYWSCHZWLSJRO-UHFFFAOYSA-N 0 0 316.445 3.110 20 10 DGCDRN C[C@@H](NC(=O)Nc1ccc2c(c1)CCOC2)c1ccccc1O ZINC000880103203 624788375 /nfs/dbraw/zinc/78/83/75/624788375.db2.gz TWZMWSOJBRTXSE-GFCCVEGCSA-N 0 0 312.369 3.348 20 10 DGCDRN C[C@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H]1C ZINC000128346266 624908910 /nfs/dbraw/zinc/90/89/10/624908910.db2.gz YGHCBCRHEIGYCY-JKSUJKDBSA-N 0 0 313.445 3.250 20 10 DGCDRN CC[C@H]([NH2+][C@H]1CCC[C@@H]1C(=O)NC)c1cccc(Cl)c1[O-] ZINC000806150154 624913164 /nfs/dbraw/zinc/91/31/64/624913164.db2.gz MHIZBAIZENNQKA-UBHSHLNASA-N 0 0 310.825 3.001 20 10 DGCDRN Cc1ccccc1C[C@H](CO)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000786583254 624925999 /nfs/dbraw/zinc/92/59/99/624925999.db2.gz QBQUBEUZUOQOMZ-IUODEOHRSA-N 0 0 321.367 3.233 20 10 DGCDRN CC(C)[C@H](NC(=O)NCc1ccc(N(C)C)cc1)C(F)(F)F ZINC000786687579 624939987 /nfs/dbraw/zinc/93/99/87/624939987.db2.gz LYTFAMFOECCDDX-ZDUSSCGKSA-N 0 0 317.355 3.139 20 10 DGCDRN CC[C@H](NC(=O)NCc1ccc(N(C)C)cc1C)C(F)(F)F ZINC000786770249 624952453 /nfs/dbraw/zinc/95/24/53/624952453.db2.gz ZLQOQPPDAXJCLB-ZDUSSCGKSA-N 0 0 317.355 3.201 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cscc2C)c1 ZINC000786925481 624965377 /nfs/dbraw/zinc/96/53/77/624965377.db2.gz HYHBTHMLWDKPNZ-NSHDSACASA-N 0 0 305.399 3.400 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@]23CCCO3)c1[O-] ZINC000880509807 624969972 /nfs/dbraw/zinc/96/99/72/624969972.db2.gz XUVNJWOCKCOARX-WBVHZDCISA-N 0 0 323.820 3.440 20 10 DGCDRN CCc1ccc(C(=O)N[C@H](C)c2cc(OC)ccc2O)c(O)c1 ZINC000787130931 624982449 /nfs/dbraw/zinc/98/24/49/624982449.db2.gz CSLVMMFQSZHRSE-LLVKDONJSA-N 0 0 315.369 3.160 20 10 DGCDRN CC[C@H](NC(=O)N[C@@H](C)c1cc(OC)ccc1O)C(F)(F)F ZINC000787310855 624999477 /nfs/dbraw/zinc/99/94/77/624999477.db2.gz SFJVWNJXGFHSNB-UFBFGSQYSA-N 0 0 320.311 3.102 20 10 DGCDRN COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@H]1C ZINC000787420679 625008650 /nfs/dbraw/zinc/00/86/50/625008650.db2.gz KNMLHKLBSPVIPU-GZMMTYOYSA-N 0 0 318.200 3.082 20 10 DGCDRN Cc1cnc(Cl)c(NC(=O)N(C)Cc2ccccc2O)c1 ZINC000787460967 625013026 /nfs/dbraw/zinc/01/30/26/625013026.db2.gz XJTUYBQXHPASAO-UHFFFAOYSA-N 0 0 305.765 3.413 20 10 DGCDRN C[C@@H]([NH2+]CCc1cncn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000788258905 625107987 /nfs/dbraw/zinc/10/79/87/625107987.db2.gz ZDXVRHWHTMLJTR-SECBINFHSA-N 0 0 314.216 3.326 20 10 DGCDRN COC(=O)c1cc(NCc2cccc(OC)c2O)c(C)cc1C ZINC000788270462 625110885 /nfs/dbraw/zinc/11/08/85/625110885.db2.gz XITQLKBCJGXXAM-UHFFFAOYSA-N 0 0 315.369 3.416 20 10 DGCDRN CCC(=O)N1CCC[N@H+](Cc2cc(C(C)C)c(C)cc2O)CC1 ZINC000128728700 625177072 /nfs/dbraw/zinc/17/70/72/625177072.db2.gz JASIHCCGXSJMBC-UHFFFAOYSA-N 0 0 318.461 3.268 20 10 DGCDRN C[C@@H](O)CCC[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000788604267 625225069 /nfs/dbraw/zinc/22/50/69/625225069.db2.gz JGIRTHKKNHAORR-RKDXNWHRSA-N 0 0 320.202 3.105 20 10 DGCDRN C=C/C(C)=C\CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000788655295 625237331 /nfs/dbraw/zinc/23/73/31/625237331.db2.gz QGJQLDCKCXZYDL-XBNGYDHASA-N 0 0 315.413 3.422 20 10 DGCDRN Cc1ccc(C)c(OCC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000024378383 625241525 /nfs/dbraw/zinc/24/15/25/625241525.db2.gz VAHVMBSKGHPQJE-UHFFFAOYSA-N 0 0 312.413 3.065 20 10 DGCDRN Cc1ncc2c(n1)CCC[C@@H]2[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790966287 625724115 /nfs/dbraw/zinc/72/41/15/625724115.db2.gz HYBBFXVZASLFKH-ZDUSSCGKSA-N 0 0 321.783 3.450 20 10 DGCDRN CC1(C)[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)[C@H]2CCCO[C@@H]21 ZINC000790973481 625726558 /nfs/dbraw/zinc/72/65/58/625726558.db2.gz PEYKDIDUACQPFB-ZWZTZDBGSA-N 0 0 313.800 3.478 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H](O)CCc1ccccc1 ZINC000790986885 625730804 /nfs/dbraw/zinc/73/08/04/625730804.db2.gz YUBOVJFROHFIGD-CYBMUJFWSA-N 0 0 323.795 3.268 20 10 DGCDRN COc1cnccc1[C@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790993323 625733626 /nfs/dbraw/zinc/73/36/26/625733626.db2.gz TXAQEEUCKBSMJU-VIFPVBQESA-N 0 0 310.756 3.439 20 10 DGCDRN CC[C@@H](C)n1ncc(NCc2cc3c(cc2O)OCO3)c1C ZINC000791003688 625735980 /nfs/dbraw/zinc/73/59/80/625735980.db2.gz GABSPFZZNKUPMM-SNVBAGLBSA-N 0 0 303.362 3.209 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNc3cc(C4CC4)ncn3)C2)cc1 ZINC000882480139 625737740 /nfs/dbraw/zinc/73/77/40/625737740.db2.gz NHUAOTIHUVXRHJ-AWEZNQCLSA-N 0 0 324.428 3.301 20 10 DGCDRN O=C(NC[C@H]1CCCN(c2ccccc2)C1)C1=CC(=O)CS1 ZINC000791033131 625742209 /nfs/dbraw/zinc/74/22/09/625742209.db2.gz WNGZGZKNRGGFHJ-CYBMUJFWSA-N 0 0 316.426 3.100 20 10 DGCDRN COc1ccc(/C=C\C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000212370681 625746204 /nfs/dbraw/zinc/74/62/04/625746204.db2.gz FMGRCEFQSFNYMM-JYRVWZFOSA-N 0 0 310.397 3.091 20 10 DGCDRN COC/C=C\C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000791338929 625780836 /nfs/dbraw/zinc/78/08/36/625780836.db2.gz FOSGEFHGWDBFNX-TWGQIWQCSA-N 0 0 316.445 3.274 20 10 DGCDRN Cc1cc(NS(=O)(=O)[C@@H]2C[C@H]2c2cccc(F)c2)ccc1O ZINC000882709706 625794886 /nfs/dbraw/zinc/79/48/86/625794886.db2.gz UDBUCBDEHHWIKZ-GOEBONIOSA-N 0 0 321.373 3.138 20 10 DGCDRN O=S(=O)(Nc1ccc(O)cc1F)c1cc(F)ccc1Cl ZINC000129941709 625800423 /nfs/dbraw/zinc/80/04/23/625800423.db2.gz UCVREVLLWRXRFH-UHFFFAOYSA-N 0 0 319.716 3.125 20 10 DGCDRN Cc1nc2cc(C(=O)NCc3ccc(N(C)C)cc3C)ccc2o1 ZINC000791594633 625831334 /nfs/dbraw/zinc/83/13/34/625831334.db2.gz QNGWMZXNNAUSDE-UHFFFAOYSA-N 0 0 323.396 3.441 20 10 DGCDRN COc1cccc(CNc2ccc3c(c2)CCCC(=O)N3)c1O ZINC000130400829 625847542 /nfs/dbraw/zinc/84/75/42/625847542.db2.gz VAIZLEIWFHPOGL-UHFFFAOYSA-N 0 0 312.369 3.288 20 10 DGCDRN CN(C)[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccc(F)cc1 ZINC000882904506 625852019 /nfs/dbraw/zinc/85/20/19/625852019.db2.gz AUBVZFYMNWNREO-INIZCTEOSA-N 0 0 324.346 3.202 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1OCCc2ccccc21 ZINC000882995221 625890299 /nfs/dbraw/zinc/89/02/99/625890299.db2.gz MXNMWUUQLSLDEA-MRXNPFEDSA-N 0 0 305.324 3.074 20 10 DGCDRN CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1c([O-])ccc(Cl)c1F ZINC000792165943 625917054 /nfs/dbraw/zinc/91/70/54/625917054.db2.gz MXUNGWPLUPKLGE-LBPRGKRZSA-N 0 0 314.832 3.491 20 10 DGCDRN COc1cc(N(C)CC2(OC)CCCCC2)cc(OC)c1OC ZINC000792173366 625919028 /nfs/dbraw/zinc/91/90/28/625919028.db2.gz CNZNJJMPZWLMDY-UHFFFAOYSA-N 0 0 323.433 3.498 20 10 DGCDRN COc1cccc(CNC(=O)c2c(F)cccc2Cl)c1O ZINC000131040078 625933130 /nfs/dbraw/zinc/93/31/30/625933130.db2.gz CYRFDUMMQYUUHP-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000883135850 625939220 /nfs/dbraw/zinc/93/92/20/625939220.db2.gz OILXJUHBAKDXDZ-GDBMZVCRSA-N 0 0 320.339 3.075 20 10 DGCDRN Cc1ccc(C(C)(C)C[NH2+]Cc2cc(F)cc(F)c2[O-])nc1 ZINC000883189062 625962634 /nfs/dbraw/zinc/96/26/34/625962634.db2.gz XLOGNWXNZOFSLJ-UHFFFAOYSA-N 0 0 306.356 3.441 20 10 DGCDRN O=C(N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)c1cccc(O)c1O ZINC000792630964 625967519 /nfs/dbraw/zinc/96/75/19/625967519.db2.gz XQKZLKWZFBGWFL-GXTWGEPZSA-N 0 0 315.344 3.303 20 10 DGCDRN COc1ccc(N(CCC(C)C)CC(=O)Nc2ccon2)cc1 ZINC000796506200 626056872 /nfs/dbraw/zinc/05/68/72/626056872.db2.gz VICKZCODVPVSIH-UHFFFAOYSA-N 0 0 317.389 3.174 20 10 DGCDRN CC[C@H]([NH2+]CCCN(C)CC(F)(F)F)c1ccc(F)cc1[O-] ZINC000796692582 626074231 /nfs/dbraw/zinc/07/42/31/626074231.db2.gz GGOJVVIXVQBWKP-ZDUSSCGKSA-N 0 0 322.346 3.456 20 10 DGCDRN CC[C@H]([NH2+]CCCOC[C@@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000796781036 626081847 /nfs/dbraw/zinc/08/18/47/626081847.db2.gz UMSNEMUVUNFOBU-BBRMVZONSA-N 0 0 311.397 3.015 20 10 DGCDRN CC[C@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1ccc(F)cc1[O-] ZINC000796790819 626083240 /nfs/dbraw/zinc/08/32/40/626083240.db2.gz WABREGQLBSQYHV-GOEBONIOSA-N 0 0 312.454 3.009 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H](CO)Cc1ccco1)c1ccc(F)cc1[O-] ZINC000796795962 626084136 /nfs/dbraw/zinc/08/41/36/626084136.db2.gz FSOPGZFDZZFOCR-MLGOLLRUSA-N 0 0 307.365 3.016 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1ccc(F)cc1[O-] ZINC000796795960 626084278 /nfs/dbraw/zinc/08/42/78/626084278.db2.gz FSOPGZFDZZFOCR-LRDDRELGSA-N 0 0 307.365 3.016 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](CO)c1ccccc1OC)c1ccc(F)cc1[O-] ZINC000796818458 626085831 /nfs/dbraw/zinc/08/58/31/626085831.db2.gz UTHJHTZNBBGNRD-CVEARBPZSA-N 0 0 319.376 3.314 20 10 DGCDRN CC[C@@H]([NH2+]CCNc1cccc(C)n1)c1ccc(F)cc1[O-] ZINC000796837557 626088597 /nfs/dbraw/zinc/08/85/97/626088597.db2.gz DIONQGSMUDDYGX-OAHLLOKOSA-N 0 0 303.381 3.388 20 10 DGCDRN CC[C@H](Nc1ccc2c(c1)C(=O)NCC2)c1ccc(F)cc1O ZINC000796926048 626096766 /nfs/dbraw/zinc/09/67/66/626096766.db2.gz NGGROQITNJEKBL-INIZCTEOSA-N 0 0 314.360 3.380 20 10 DGCDRN CC[C@H]([NH2+][C@H](CO)Cc1cccc(C)c1)c1ccc(F)cc1[O-] ZINC000796959508 626100036 /nfs/dbraw/zinc/10/00/36/626100036.db2.gz QPXCLMKEDKORHZ-WMZOPIPTSA-N 0 0 317.404 3.484 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1COC[C@@H]1OC)c1cc(Cl)cc(Cl)c1[O-] ZINC000840826417 626119749 /nfs/dbraw/zinc/11/97/49/626119749.db2.gz KXYQHRPYXWXZCJ-XQQFMLRXSA-N 0 0 320.216 3.154 20 10 DGCDRN C[C@@H]1[C@H](C(=O)NCc2ccc(N(C)C)cc2)[C@H]1c1ccccc1 ZINC000797422891 626141777 /nfs/dbraw/zinc/14/17/77/626141777.db2.gz ZXMWTHUVPLTXBR-KYNGSXCRSA-N 0 0 308.425 3.419 20 10 DGCDRN COc1ccc2c(c1)CCCN2CC(=O)N(C)C1CCCCC1 ZINC000797725352 626166221 /nfs/dbraw/zinc/16/62/21/626166221.db2.gz SVFLSBZCOGYYSB-UHFFFAOYSA-N 0 0 316.445 3.239 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cn(C)c2ccc(F)cc12 ZINC000797738517 626166760 /nfs/dbraw/zinc/16/67/60/626166760.db2.gz SEYNLFDYHYCUSW-UHFFFAOYSA-N 0 0 312.344 3.295 20 10 DGCDRN COc1ccc(CNC(=O)[C@H]2[C@H](c3ccccc3)[C@@H]2C)c(O)c1 ZINC000797762291 626167526 /nfs/dbraw/zinc/16/75/26/626167526.db2.gz WGWAYTDDPLYIPR-UYHISHBKSA-N 0 0 311.381 3.067 20 10 DGCDRN CCc1ccnc(CNC(=S)Nc2cccc(OC)c2)c1 ZINC000797793573 626169557 /nfs/dbraw/zinc/16/95/57/626169557.db2.gz QTGLRWLCHLDWQO-UHFFFAOYSA-N 0 0 301.415 3.139 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C[C@@H]2CCC(F)(F)C2)cc1F ZINC000797845957 626174038 /nfs/dbraw/zinc/17/40/38/626174038.db2.gz GSCGRTKUSZLWOE-NSHDSACASA-N 0 0 314.351 3.333 20 10 DGCDRN CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000798089326 626193495 /nfs/dbraw/zinc/19/34/95/626193495.db2.gz QKPYOTRLBNNQSV-SKDRFNHKSA-N 0 0 315.772 3.006 20 10 DGCDRN c1csc(Sc2nnc(-c3cccnc3)n2C2CC2)n1 ZINC000798189811 626201035 /nfs/dbraw/zinc/20/10/35/626201035.db2.gz PSIVRJCBMIIWQV-UHFFFAOYSA-N 0 0 301.400 3.283 20 10 DGCDRN CSCCCN(C)C(=O)NCCCSc1nccs1 ZINC000798437512 626218085 /nfs/dbraw/zinc/21/80/85/626218085.db2.gz JHDRRVVWAHLGED-UHFFFAOYSA-N 0 0 319.521 3.020 20 10 DGCDRN C[C@@H](NC(=O)c1cnc2cnccc2c1)c1ccc(N(C)C)cc1 ZINC000798502230 626221694 /nfs/dbraw/zinc/22/16/94/626221694.db2.gz QSJAGVIEUHYSRD-CYBMUJFWSA-N 0 0 320.396 3.187 20 10 DGCDRN Cc1ccc(C(=O)OCc2cnc3ccccc3c2)c(O)c1O ZINC000798608270 626231214 /nfs/dbraw/zinc/23/12/14/626231214.db2.gz RKDNBBIXPBZBTN-UHFFFAOYSA-N 0 0 309.321 3.311 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cnc2cnccc2c1 ZINC000798977195 626264978 /nfs/dbraw/zinc/26/49/78/626264978.db2.gz GWUJQZKVCXRPCE-UHFFFAOYSA-N 0 0 321.380 3.388 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cc(C3CC3)no2)cc1 ZINC000799316059 626288651 /nfs/dbraw/zinc/28/86/51/626288651.db2.gz SCGHIYYYVBHRDX-UHFFFAOYSA-N 0 0 313.401 3.328 20 10 DGCDRN Cc1noc2ncnc(N(Cc3ccc(N(C)C)cc3)C3CC3)c12 ZINC000799931501 626336369 /nfs/dbraw/zinc/33/63/69/626336369.db2.gz VKYGMDDEUYRBFQ-UHFFFAOYSA-N 0 0 323.400 3.161 20 10 DGCDRN CO[C@H]1CC[C@@H](OC(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000800462482 626362223 /nfs/dbraw/zinc/36/22/23/626362223.db2.gz GUQNKADKTFXQDX-LSDHHAIUSA-N 0 0 314.385 3.213 20 10 DGCDRN CC(C)OC[C@H](C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000800525633 626366564 /nfs/dbraw/zinc/36/65/64/626366564.db2.gz VZEXOWAWQIEGDO-JTQLQIEISA-N 0 0 302.212 3.058 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1CC=CCC1 ZINC000839914129 626369620 /nfs/dbraw/zinc/36/96/20/626369620.db2.gz QUTISUHVBWZUNB-CVEARBPZSA-N 0 0 300.446 3.465 20 10 DGCDRN Cc1noc(C)c1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839913598 626369652 /nfs/dbraw/zinc/36/96/52/626369652.db2.gz MKJOJPLMQDCPJP-GFCCVEGCSA-N 0 0 315.417 3.027 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1Cc2ccccc21 ZINC000839918444 626371279 /nfs/dbraw/zinc/37/12/79/626371279.db2.gz MDAGRGXZDKWSQB-FOIQADDNSA-N 0 0 322.452 3.448 20 10 DGCDRN CC[C@@H]1CC[C@@H](C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)O1 ZINC000839921096 626373786 /nfs/dbraw/zinc/37/37/86/626373786.db2.gz WREYJVXOEPYKIN-QGTPRVQTSA-N 0 0 318.461 3.066 20 10 DGCDRN COC[C@H](C)[C@@H](C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839921551 626374092 /nfs/dbraw/zinc/37/40/92/626374092.db2.gz KZKKKULYBNUAAV-ARFHVFGLSA-N 0 0 320.477 3.027 20 10 DGCDRN Cc1ccc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)nc1 ZINC000839920851 626376161 /nfs/dbraw/zinc/37/61/61/626376161.db2.gz VCHAZGWFMBPPGF-OAHLLOKOSA-N 0 0 311.429 3.125 20 10 DGCDRN CO[C@H](C)c1nsc(NCc2ccc(N(C)C)cc2C)n1 ZINC000800852342 626379151 /nfs/dbraw/zinc/37/91/51/626379151.db2.gz GQUHXTCGCSWPPI-LLVKDONJSA-N 0 0 306.435 3.232 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)ns1 ZINC000839922806 626381092 /nfs/dbraw/zinc/38/10/92/626381092.db2.gz ZFCCXERZNHOUCQ-LBPRGKRZSA-N 0 0 317.458 3.187 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H](CC)O1 ZINC000801545648 626409159 /nfs/dbraw/zinc/40/91/59/626409159.db2.gz DBIVCIDIUAFUPQ-RDJZCZTQSA-N 0 0 305.418 3.479 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1cccnn1 ZINC000801636040 626412937 /nfs/dbraw/zinc/41/29/37/626412937.db2.gz AFSODHQSZZSVJF-UHFFFAOYSA-N 0 0 300.362 3.016 20 10 DGCDRN CCc1nnc(N(C)Cc2ccc(N(CC)CC)cc2)n1CC ZINC000801875093 626423688 /nfs/dbraw/zinc/42/36/88/626423688.db2.gz IREALDLTAAVMFU-UHFFFAOYSA-N 0 0 315.465 3.343 20 10 DGCDRN Cc1ccc(CN(C)C(=O)NCc2ccc(N(C)C)cc2C)o1 ZINC000802172352 626434075 /nfs/dbraw/zinc/43/40/75/626434075.db2.gz GILWHBLYLWQDGA-UHFFFAOYSA-N 0 0 315.417 3.304 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCC=CO1 ZINC000802302938 626558494 /nfs/dbraw/zinc/55/84/94/626558494.db2.gz WLQDRUBNKKMPMW-MRXNPFEDSA-N 0 0 318.417 3.397 20 10 DGCDRN COc1cc(O)c(CN2CCc3cc(F)ccc32)cc1OC ZINC000802657459 626565388 /nfs/dbraw/zinc/56/53/88/626565388.db2.gz FIPQHMBLJUSJJU-UHFFFAOYSA-N 0 0 303.333 3.111 20 10 DGCDRN Oc1ccccc1C[N@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000802659620 626565751 /nfs/dbraw/zinc/56/57/51/626565751.db2.gz QMDZKVXCUMRTDV-UHFFFAOYSA-N 0 0 320.396 3.138 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CC[C@H](OC(F)F)C2)cc1F ZINC000802659264 626565920 /nfs/dbraw/zinc/56/59/20/626565920.db2.gz YTNUWGLOQGSEKJ-ZDUSSCGKSA-N 0 0 316.367 3.485 20 10 DGCDRN COc1ccc2c(c1)OCC[N@@H+](Cc1cc(C)c(C)cc1O)C2 ZINC000802659466 626565947 /nfs/dbraw/zinc/56/59/47/626565947.db2.gz PAWMOGCQYDZBNA-UHFFFAOYSA-N 0 0 313.397 3.412 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1sccc1Cl ZINC000803089455 626594073 /nfs/dbraw/zinc/59/40/73/626594073.db2.gz ASYICOKEADFESM-QMMMGPOBSA-N 0 0 311.790 3.174 20 10 DGCDRN CC1(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC(F)(F)C1 ZINC000883250419 626624509 /nfs/dbraw/zinc/62/45/09/626624509.db2.gz WFFKBWISPSXRSL-UHFFFAOYSA-N 0 0 320.723 3.479 20 10 DGCDRN C[C@H]1CC[C@H](C)N1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000131352479 626627708 /nfs/dbraw/zinc/62/77/08/626627708.db2.gz LCQZPPIYQHBQMU-KBPBESRZSA-N 0 0 301.434 3.151 20 10 DGCDRN COc1ccc(N2CCN(c3nccc(C)c3Cl)CC2)cc1 ZINC000804321031 626668923 /nfs/dbraw/zinc/66/89/23/626668923.db2.gz BBYZUMUNADCAGD-UHFFFAOYSA-N 0 0 317.820 3.379 20 10 DGCDRN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1ccccc1O ZINC000804398661 626676837 /nfs/dbraw/zinc/67/68/37/626676837.db2.gz PFNZBFSSWPNQOS-UHFFFAOYSA-N 0 0 316.313 3.008 20 10 DGCDRN COc1ccc(N(C)Cc2ccc([N+](=O)[O-])cc2F)c(OC)c1 ZINC000131931984 626688681 /nfs/dbraw/zinc/68/86/81/626688681.db2.gz XVYRBDSJXTYMCY-UHFFFAOYSA-N 0 0 320.320 3.388 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1cccc(Cl)c1[O-] ZINC000806130350 626700502 /nfs/dbraw/zinc/70/05/02/626700502.db2.gz WDEVCWNFCRQYPH-HUUCEWRRSA-N 0 0 318.804 3.313 20 10 DGCDRN COc1ccc(N(C)C[C@H](O)c2cccc(F)c2)c(OC)c1 ZINC000132138403 626701910 /nfs/dbraw/zinc/70/19/10/626701910.db2.gz APFUDGZHYSTJSJ-INIZCTEOSA-N 0 0 305.349 3.013 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C)COCCOC)c1cccc(Cl)c1[O-] ZINC000806147962 626702570 /nfs/dbraw/zinc/70/25/70/626702570.db2.gz PBCKNCDBMREDMW-FZMZJTMJSA-N 0 0 301.814 3.138 20 10 DGCDRN CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000806160473 626703175 /nfs/dbraw/zinc/70/31/75/626703175.db2.gz SASKNTTXHBQXFI-QLFBSQMISA-N 0 0 313.825 3.280 20 10 DGCDRN CCOC1CC(C(=O)N(C)Cc2ccc(N(CC)CC)cc2)C1 ZINC000806326184 626710472 /nfs/dbraw/zinc/71/04/72/626710472.db2.gz MZJJWPBQDCHIGV-UHFFFAOYSA-N 0 0 318.461 3.306 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]3C[C@@H]32)cc1 ZINC000806465384 626717313 /nfs/dbraw/zinc/71/73/13/626717313.db2.gz VKPFBJZQYDWIQQ-WBVHZDCISA-N 0 0 301.434 3.227 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCCc1ccns1 ZINC000883845645 626757379 /nfs/dbraw/zinc/75/73/79/626757379.db2.gz QRZUNVXIZHACNE-UHFFFAOYSA-N 0 0 319.430 3.013 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1cccs1 ZINC000808095870 626792423 /nfs/dbraw/zinc/79/24/23/626792423.db2.gz WLTDHWRZKRDNHC-UHFFFAOYSA-N 0 0 310.415 3.188 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(Cl)cc1 ZINC000808095680 626792485 /nfs/dbraw/zinc/79/24/85/626792485.db2.gz NWJIVDWNFNHHIM-UHFFFAOYSA-N 0 0 310.777 3.461 20 10 DGCDRN Nc1ccc(CCNC(=O)CC[C@H]2CCc3ccccc32)cc1 ZINC000884028280 626798338 /nfs/dbraw/zinc/79/83/38/626798338.db2.gz BZPVOTAVWNYKJV-QGZVFWFLSA-N 0 0 308.425 3.438 20 10 DGCDRN CC(=O)C(=O)COC(=O)C1(c2cccc(Cl)c2)CCCCC1 ZINC000808500134 626833473 /nfs/dbraw/zinc/83/34/73/626833473.db2.gz FNWNCXJNKDLWFC-UHFFFAOYSA-N 0 0 322.788 3.243 20 10 DGCDRN CC(C)=CCSc1ccccc1C(=O)OCC(=O)C(C)=O ZINC000808520662 626835237 /nfs/dbraw/zinc/83/52/37/626835237.db2.gz WGKRZYREDGEAHP-UHFFFAOYSA-N 0 0 306.383 3.060 20 10 DGCDRN Cc1cc(CN[C@H](c2nc[nH]n2)c2ccccc2)ccc1N(C)C ZINC000808707745 626851562 /nfs/dbraw/zinc/85/15/62/626851562.db2.gz XQUHSKBAQLSTNH-SFHVURJKSA-N 0 0 321.428 3.058 20 10 DGCDRN CCc1nnc([C@@H](C)N[C@@H](C)c2cc(Cl)cc(C)c2O)[nH]1 ZINC000808710219 626852346 /nfs/dbraw/zinc/85/23/46/626852346.db2.gz MWDCCOLTWNPQCY-VHSXEESVSA-N 0 0 308.813 3.446 20 10 DGCDRN CCc1nnc([C@H](C)N[C@@H](C)c2cc(Cl)cc(C)c2O)[nH]1 ZINC000808710218 626852564 /nfs/dbraw/zinc/85/25/64/626852564.db2.gz MWDCCOLTWNPQCY-UWVGGRQHSA-N 0 0 308.813 3.446 20 10 DGCDRN c1ccc(CN2CCc3cc(CN4CCOCC4)ccc32)cc1 ZINC000809538831 626917786 /nfs/dbraw/zinc/91/77/86/626917786.db2.gz JUZAPDXDFPSPMY-UHFFFAOYSA-N 0 0 308.425 3.082 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[N@@H+](C)[C@@H]2CCCOC2)c1 ZINC000809692794 626937280 /nfs/dbraw/zinc/93/72/80/626937280.db2.gz GXZFNSMFWSTAOP-GFCCVEGCSA-N 0 0 314.223 3.074 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1cnn2ccccc12 ZINC000809701114 626938669 /nfs/dbraw/zinc/93/86/69/626938669.db2.gz UKIQVOCPAMPNFG-UHFFFAOYSA-N 0 0 305.740 3.122 20 10 DGCDRN CCn1nccc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809774275 626951041 /nfs/dbraw/zinc/95/10/41/626951041.db2.gz HZEFAJAFMQDGBA-UHFFFAOYSA-N 0 0 300.189 3.205 20 10 DGCDRN Cc1cc(O)c(CN2CCC(=O)N(C)c3ccccc32)cc1C ZINC000809785907 626952887 /nfs/dbraw/zinc/95/28/87/626952887.db2.gz HJKUISKSKWOUOI-UHFFFAOYSA-N 0 0 310.397 3.382 20 10 DGCDRN CC(=O)N1CCCN(Cc2cccc(C)c2O)c2ccccc21 ZINC000809785847 626953223 /nfs/dbraw/zinc/95/32/23/626953223.db2.gz DZADCHNGHYUMFW-UHFFFAOYSA-N 0 0 310.397 3.464 20 10 DGCDRN COc1cc(Cl)cc(CNc2cccc3c2COC3=O)c1O ZINC000809791253 626954587 /nfs/dbraw/zinc/95/45/87/626954587.db2.gz IJXACNABTHMKAO-UHFFFAOYSA-N 0 0 319.744 3.337 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCSC1 ZINC000809986801 626965872 /nfs/dbraw/zinc/96/58/72/626965872.db2.gz ORVICUQTHYOJHV-HNNXBMFYSA-N 0 0 306.475 3.244 20 10 DGCDRN CC(C)CCC[C@@H](C)NC(=O)COc1ccc(N(C)C)cc1 ZINC000810001721 626967658 /nfs/dbraw/zinc/96/76/58/626967658.db2.gz KIQBIHIBAOCQAH-OAHLLOKOSA-N 0 0 306.450 3.462 20 10 DGCDRN COCC[C@H](COC)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000810258023 626993919 /nfs/dbraw/zinc/99/39/19/626993919.db2.gz XZXNVVJQFKYACQ-VHSXEESVSA-N 0 0 322.232 3.401 20 10 DGCDRN CCNC(=O)c1cccc(C[NH2+][C@H](C)c2c([O-])cccc2F)c1 ZINC000886514635 627155486 /nfs/dbraw/zinc/15/54/86/627155486.db2.gz VFEMGCNXPNHHGT-GFCCVEGCSA-N 0 0 316.376 3.132 20 10 DGCDRN COc1ccc(COCC[NH2+][C@H](C)c2c([O-])cccc2F)cc1 ZINC000886542737 627159658 /nfs/dbraw/zinc/15/96/58/627159658.db2.gz FFJYWRHVPKULAW-CYBMUJFWSA-N 0 0 319.376 3.407 20 10 DGCDRN COc1ccc(COCC[NH2+][C@@H](C)c2c([O-])cccc2F)cc1 ZINC000886542738 627160016 /nfs/dbraw/zinc/16/00/16/627160016.db2.gz FFJYWRHVPKULAW-ZDUSSCGKSA-N 0 0 319.376 3.407 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1c([O-])cccc1F ZINC000886550434 627161335 /nfs/dbraw/zinc/16/13/35/627161335.db2.gz ZTVASUZNRBXMMG-LKFCYVNXSA-N 0 0 311.303 3.194 20 10 DGCDRN CCN(CC[NH2+][C@H](C)c1c([O-])cccc1F)CCC(F)(F)F ZINC000886598993 627170524 /nfs/dbraw/zinc/17/05/24/627170524.db2.gz OTBZRHFTFHHFNN-LLVKDONJSA-N 0 0 322.346 3.456 20 10 DGCDRN C[C@H]([NH2+][C@H](CCO)c1ccccc1F)c1c([O-])cccc1F ZINC000886630310 627176452 /nfs/dbraw/zinc/17/64/52/627176452.db2.gz ZNLQOIUMQPZPQV-XHDPSFHLSA-N 0 0 307.340 3.445 20 10 DGCDRN CC[C@H]([NH2+][C@@H](CO)C[C@@H]1CCCO1)c1cccc(Cl)c1[O-] ZINC000886670388 627185680 /nfs/dbraw/zinc/18/56/80/627185680.db2.gz NWTLAAHDIXNGIK-XUJVJEKNSA-N 0 0 313.825 3.016 20 10 DGCDRN CC[C@H]([NH2+]C[C@H](O)Cc1ccccc1F)c1ccc(F)cc1[O-] ZINC000886674509 627186859 /nfs/dbraw/zinc/18/68/59/627186859.db2.gz MVCHDPFMDOFUMG-PBHICJAKSA-N 0 0 321.367 3.315 20 10 DGCDRN Cc1cc(Br)cc(CN2CCCc3n[nH]cc32)c1O ZINC000811497587 627281891 /nfs/dbraw/zinc/28/18/91/627281891.db2.gz RHDPXCODKPGGAL-UHFFFAOYSA-N 0 0 322.206 3.139 20 10 DGCDRN CN(C)c1ccc(CN2CCCN2C(=O)OC(C)(C)C)cc1F ZINC000811503091 627282801 /nfs/dbraw/zinc/28/28/01/627282801.db2.gz UWCVFGRLQNLBTH-UHFFFAOYSA-N 0 0 323.412 3.250 20 10 DGCDRN CN(C)c1cccnc1CNC(=S)Nc1cccc(Cl)c1 ZINC000811710082 627309967 /nfs/dbraw/zinc/30/99/67/627309967.db2.gz ZYOZOIWMARTGOC-UHFFFAOYSA-N 0 0 320.849 3.288 20 10 DGCDRN CCOc1cccc(NCCc2ccc(O)c(O)c2)c1[N+](=O)[O-] ZINC000811810784 627323987 /nfs/dbraw/zinc/32/39/87/627323987.db2.gz BYNZBGXCVPTXBA-UHFFFAOYSA-N 0 0 318.329 3.059 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC1CCCC1 ZINC000840238222 627324825 /nfs/dbraw/zinc/32/48/25/627324825.db2.gz VSWIAMDYBYWDKF-CQSZACIVSA-N 0 0 303.450 3.234 20 10 DGCDRN Oc1cccc(Cl)c1CNc1nc2cc(Cl)ccn2n1 ZINC000811840447 627328362 /nfs/dbraw/zinc/32/83/62/627328362.db2.gz ZCEBHSOARZHGJS-UHFFFAOYSA-N 0 0 309.156 3.354 20 10 DGCDRN C[C@H](NC(=O)Nc1ccnc(C2(C)CC2)n1)c1ccccc1O ZINC000888030910 627363141 /nfs/dbraw/zinc/36/31/41/627363141.db2.gz HVSBGRZTRSKNMF-NSHDSACASA-N 0 0 312.373 3.116 20 10 DGCDRN CCC[C@@H]1C[C@H]1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000812484147 627391356 /nfs/dbraw/zinc/39/13/56/627391356.db2.gz VRIRVMOEXKTSAC-QGPMSJSTSA-N 0 0 316.445 3.137 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@](C)(OC)C2CC2)cc1F ZINC000812506084 627393108 /nfs/dbraw/zinc/39/31/08/627393108.db2.gz VTBINRKPVNLCIG-SFHVURJKSA-N 0 0 322.424 3.103 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC[C@H](C)CCOC)cc1 ZINC000840263753 627412824 /nfs/dbraw/zinc/41/28/24/627412824.db2.gz WJEPHNXHGRQUFR-OAHLLOKOSA-N 0 0 321.465 3.005 20 10 DGCDRN Cc1cc(C(=O)NOC2CCC2)c(C)n1-c1ccc(F)cc1 ZINC000812794694 627421427 /nfs/dbraw/zinc/42/14/27/627421427.db2.gz BLCHBOFFQUQAKF-UHFFFAOYSA-N 0 0 302.349 3.447 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2C[C@H]3CCC[C@@H]32)c(C)n1-c1ccccn1 ZINC000889585869 627441326 /nfs/dbraw/zinc/44/13/26/627441326.db2.gz DUDNSPUWATZHQB-HLLBOEOZSA-N 0 0 309.413 3.408 20 10 DGCDRN CCOC(=O)c1cc(CN2CCc3cc(OC)ccc32)[nH]c1C ZINC000813334667 627479480 /nfs/dbraw/zinc/47/94/80/627479480.db2.gz UHFPYCRPILCFSN-UHFFFAOYSA-N 0 0 314.385 3.071 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCCCCC(=O)C2)cc1F ZINC000813429643 627489330 /nfs/dbraw/zinc/48/93/30/627489330.db2.gz IPGWVTQZVALCKE-CQSZACIVSA-N 0 0 320.408 3.047 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCCCCC(=O)C1 ZINC000813454895 627490835 /nfs/dbraw/zinc/49/08/35/627490835.db2.gz DIHUOWPTTYFOSP-HNNXBMFYSA-N 0 0 316.445 3.217 20 10 DGCDRN C[C@@H](NC(=O)[C@@H]1CCCCCC(=O)C1)c1ccc(N(C)C)cc1 ZINC000813524609 627495954 /nfs/dbraw/zinc/49/59/54/627495954.db2.gz DTHPTQUEUPWJCZ-GDBMZVCRSA-N 0 0 316.445 3.469 20 10 DGCDRN Oc1ccc(CCNc2cnc(-c3ccccc3)cn2)cc1O ZINC000813593168 627501094 /nfs/dbraw/zinc/50/10/94/627501094.db2.gz ZCOMAQHTEUHYAE-UHFFFAOYSA-N 0 0 307.353 3.209 20 10 DGCDRN CN1C(=O)/C(=C\c2cnn(CC(F)F)c2)c2cc(Cl)ccc21 ZINC000814190373 627548961 /nfs/dbraw/zinc/54/89/61/627548961.db2.gz GBTJABOGDLLJNK-QCDXTXTGSA-N 0 0 323.730 3.319 20 10 DGCDRN CCc1cccc(NC(=S)NNc2cccc([N+](=O)[O-])c2)c1 ZINC000007351588 627570015 /nfs/dbraw/zinc/57/00/15/627570015.db2.gz ZBMBPSBKILMAAQ-UHFFFAOYSA-N 0 0 316.386 3.471 20 10 DGCDRN Cc1cc(CN2CCC[C@H]2C(=O)OC(C)(C)C)ccc1N(C)C ZINC000815058782 627620748 /nfs/dbraw/zinc/62/07/48/627620748.db2.gz TXBAZGASHWOQRG-KRWDZBQOSA-N 0 0 318.461 3.367 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CCCN1C)c1cccc(C(F)(F)F)c1[O-] ZINC000815565883 627685686 /nfs/dbraw/zinc/68/56/86/627685686.db2.gz CLCKPBDKPBIRTR-WDEREUQCSA-N 0 0 302.340 3.156 20 10 DGCDRN C[C@H]([NH2+]CCN1CC[C@H](C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815585988 627688525 /nfs/dbraw/zinc/68/85/25/627688525.db2.gz WTXZRCBLMLRZMD-RYUDHWBXSA-N 0 0 316.367 3.403 20 10 DGCDRN C[C@@H]([NH2+][C@H](CO)CC(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000815620212 627691807 /nfs/dbraw/zinc/69/18/07/627691807.db2.gz KKVCTNYBXVFGKK-SFYZADRCSA-N 0 0 313.266 3.078 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ncccc1Cl ZINC000815797652 627704671 /nfs/dbraw/zinc/70/46/71/627704671.db2.gz ZAPLBGOIKYCPRF-UHFFFAOYSA-N 0 0 304.777 3.493 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2csc(C(C)=O)c2)c1 ZINC000815835309 627707010 /nfs/dbraw/zinc/70/70/10/627707010.db2.gz PEEPIVURLMETRD-VIFPVBQESA-N 0 0 319.382 3.156 20 10 DGCDRN CO[C@@H]1CCCC[C@H]1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000816180106 627750113 /nfs/dbraw/zinc/75/01/13/627750113.db2.gz FTDKIHATECDHLD-IAOVAPTHSA-N 0 0 304.434 3.135 20 10 DGCDRN Cc1cc(C(=O)OC[C@@H]2CC2(F)F)c(C)n1-c1ccccn1 ZINC000816421227 627785076 /nfs/dbraw/zinc/78/50/76/627785076.db2.gz KASNMZRGFAIGPW-LBPRGKRZSA-N 0 0 306.312 3.301 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000816492784 627796019 /nfs/dbraw/zinc/79/60/19/627796019.db2.gz CIASSGUAZLRDGS-SNVBAGLBSA-N 0 0 309.772 3.287 20 10 DGCDRN CCC[N@H+](C)C[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816516839 627800116 /nfs/dbraw/zinc/80/01/16/627800116.db2.gz SPZMDXBDFIUMED-LBPRGKRZSA-N 0 0 314.832 3.348 20 10 DGCDRN Cn1cc(C[C@@H]2CC[N@H+](Cc3ccc4ccccc4c3O)C2)cn1 ZINC000816519453 627801527 /nfs/dbraw/zinc/80/15/27/627801527.db2.gz JQLGHNRRXSYVGH-HNNXBMFYSA-N 0 0 321.424 3.344 20 10 DGCDRN C[C@@H]1CCCCN1CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816535345 627803275 /nfs/dbraw/zinc/80/32/75/627803275.db2.gz MLODQSGOXZPNKL-LLVKDONJSA-N 0 0 300.805 3.149 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H](CO)Cc1ccccc1 ZINC000816538189 627804374 /nfs/dbraw/zinc/80/43/74/627804374.db2.gz IZQPKMSWQUFAAF-ZDUSSCGKSA-N 0 0 323.795 3.126 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000816558631 627807736 /nfs/dbraw/zinc/80/77/36/627807736.db2.gz HHRTZGKXIHIDIS-QGZVFWFLSA-N 0 0 321.779 3.108 20 10 DGCDRN CCOCCOCC[N@H+](C)Cc1ccc2ccccc2c1O ZINC000816589290 627811254 /nfs/dbraw/zinc/81/12/54/627811254.db2.gz SHCLFJZAHUXPDO-UHFFFAOYSA-N 0 0 303.402 3.030 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H](CO)CC1CCCC1 ZINC000816598777 627813498 /nfs/dbraw/zinc/81/34/98/627813498.db2.gz PPQIYILWLNOYLW-GFCCVEGCSA-N 0 0 315.816 3.463 20 10 DGCDRN C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816609527 627814262 /nfs/dbraw/zinc/81/42/62/627814262.db2.gz FDWHDAQCYHNREI-NHYWBVRUSA-N 0 0 312.816 3.243 20 10 DGCDRN COc1cccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])c1O ZINC000816610519 627814953 /nfs/dbraw/zinc/81/49/53/627814953.db2.gz NIANMJQZTIKQIP-UHFFFAOYSA-N 0 0 311.740 3.189 20 10 DGCDRN NC(=O)Nc1cc(NCc2cccc(Cl)c2O)ccc1F ZINC000816625098 627816708 /nfs/dbraw/zinc/81/67/08/627816708.db2.gz RCJJNSXXQVOKDK-UHFFFAOYSA-N 0 0 309.728 3.287 20 10 DGCDRN OC[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)c2ccccc21 ZINC000816636676 627816823 /nfs/dbraw/zinc/81/68/23/627816823.db2.gz DVPDYNMOGBIMIZ-NSHDSACASA-N 0 0 307.752 3.281 20 10 DGCDRN CC1(C)CCC[C@]1(O)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000816640306 627818581 /nfs/dbraw/zinc/81/85/81/627818581.db2.gz CDWYKVSBFUMWHX-HNNXBMFYSA-N 0 0 301.789 3.216 20 10 DGCDRN CC[C@H]1C[N@H+](C)CCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000816660881 627821936 /nfs/dbraw/zinc/82/19/36/627821936.db2.gz SQIAQIMMJWCSNA-LBPRGKRZSA-N 0 0 303.233 3.225 20 10 DGCDRN CC[C@H](C)CONC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000816979537 627844892 /nfs/dbraw/zinc/84/48/92/627844892.db2.gz QPMCTNUQDYXQSS-LBPRGKRZSA-N 0 0 301.390 3.197 20 10 DGCDRN C[C@H]1COCCN1c1ccc(NCc2cc(F)ccc2O)cc1 ZINC000817406507 627893746 /nfs/dbraw/zinc/89/37/46/627893746.db2.gz UKPOGXJGQQDKOD-ZDUSSCGKSA-N 0 0 316.376 3.369 20 10 DGCDRN CC[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1 ZINC000817414487 627896839 /nfs/dbraw/zinc/89/68/39/627896839.db2.gz GEVCVRFAKYFNOR-NWDGAFQWSA-N 0 0 314.769 3.001 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CC[C@@H](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000817415648 627897047 /nfs/dbraw/zinc/89/70/47/627897047.db2.gz WDOYKRIAQSCPSG-CYBMUJFWSA-N 0 0 320.389 3.321 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000817419232 627898010 /nfs/dbraw/zinc/89/80/10/627898010.db2.gz RHWDBJFCMPRSNJ-LLVKDONJSA-N 0 0 301.789 3.169 20 10 DGCDRN Cc1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc(C)n1 ZINC000817590421 627927274 /nfs/dbraw/zinc/92/72/74/627927274.db2.gz WTEJJPRKJJIYKA-LBPRGKRZSA-N 0 0 301.346 3.163 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)c3cnn4c3CCC4)cc12 ZINC000817762419 627947418 /nfs/dbraw/zinc/94/74/18/627947418.db2.gz UDJGVAQJCGFDIN-UHFFFAOYSA-N 0 0 309.369 3.157 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)CCc3cnccn3)cc12 ZINC000817762550 627947704 /nfs/dbraw/zinc/94/77/04/627947704.db2.gz VWYPTLNOCGLWPW-UHFFFAOYSA-N 0 0 309.369 3.123 20 10 DGCDRN CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000817818114 627950546 /nfs/dbraw/zinc/95/05/46/627950546.db2.gz DFZZLLJOUYFWPU-GFCCVEGCSA-N 0 0 321.417 3.082 20 10 DGCDRN C[C@@H]1C[C@H](C(=O)[O-])C[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000817881999 627953760 /nfs/dbraw/zinc/95/37/60/627953760.db2.gz TXLUJALTDATQPD-WBVHZDCISA-N 0 0 316.445 3.220 20 10 DGCDRN CC[C@@H](C)N(C)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817923458 627962006 /nfs/dbraw/zinc/96/20/06/627962006.db2.gz XUIJYFOUDAWTKO-LLVKDONJSA-N 0 0 303.431 3.187 20 10 DGCDRN CN(CC(C)(C)C)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817923848 627963036 /nfs/dbraw/zinc/96/30/36/627963036.db2.gz AOZITSMAKBRWHO-UHFFFAOYSA-N 0 0 317.458 3.434 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1CCCCN1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817949370 627971177 /nfs/dbraw/zinc/97/11/77/627971177.db2.gz JWVDKHVQLMCGHJ-NXEZZACHSA-N 0 0 303.233 3.492 20 10 DGCDRN CC(C)C(=O)[C@@H](NC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000926894242 627973691 /nfs/dbraw/zinc/97/36/91/627973691.db2.gz MBQORWIGCHHAIZ-AWEZNQCLSA-N 0 0 303.383 3.150 20 10 DGCDRN CC(C)C[C@H](CN)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817959887 627975983 /nfs/dbraw/zinc/97/59/83/627975983.db2.gz WHVKONDROZCXQH-GHMZBOCLSA-N 0 0 304.356 3.435 20 10 DGCDRN CC[C@H](NCC(F)(F)CN)c1ccc(C(F)(F)F)cc1O ZINC000817968364 627979176 /nfs/dbraw/zinc/97/91/76/627979176.db2.gz QPBCFFGKFZEDCE-JTQLQIEISA-N 0 0 312.282 3.046 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H]1NCCc2ccccc21)c1ccc(F)cc1[O-] ZINC000817975041 627980838 /nfs/dbraw/zinc/98/08/38/627980838.db2.gz QELIMCMMCJZYIW-QZTJIDSGSA-N 0 0 314.404 3.459 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817976525 627981670 /nfs/dbraw/zinc/98/16/70/627981670.db2.gz NAXSHGUDQSWEHR-VGMNWLOBSA-N 0 0 307.196 3.050 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1ccc(F)cc1[O-] ZINC000926922756 627981784 /nfs/dbraw/zinc/98/17/84/627981784.db2.gz RRRRPMUGMGXQEN-PWSUYJOCSA-N 0 0 320.330 3.209 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1ccc(F)cc1[O-] ZINC000926922755 627982010 /nfs/dbraw/zinc/98/20/10/627982010.db2.gz RRRRPMUGMGXQEN-JQWIXIFHSA-N 0 0 320.330 3.209 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000926951400 627988302 /nfs/dbraw/zinc/98/83/02/627988302.db2.gz QTJJYVSNKSQRMD-PTOFAABTSA-N 0 0 317.307 3.028 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CCCC2(CCC2)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927009377 627996949 /nfs/dbraw/zinc/99/69/49/627996949.db2.gz CMVSIXUSUYNEQZ-GXTWGEPZSA-N 0 0 320.389 3.443 20 10 DGCDRN CCn1nc(C)c(CNCc2cc(-c3ccccc3)ccc2O)n1 ZINC000818221601 628006708 /nfs/dbraw/zinc/00/67/08/628006708.db2.gz QLLQDXWDPKLWMJ-UHFFFAOYSA-N 0 0 322.412 3.269 20 10 DGCDRN C[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927069855 628007556 /nfs/dbraw/zinc/00/75/56/628007556.db2.gz NKURMANKSVEVRQ-PPHDSNJXSA-N 0 0 320.389 3.156 20 10 DGCDRN CC(C)OCC(C)(C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000840355187 628007762 /nfs/dbraw/zinc/00/77/62/628007762.db2.gz YGYBRJPDMHCSIP-CQSZACIVSA-N 0 0 321.465 3.316 20 10 DGCDRN Cc1ccc(NCC[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])nc1 ZINC000927073701 628008276 /nfs/dbraw/zinc/00/82/76/628008276.db2.gz OFZSYIDOXBUQQJ-LLVKDONJSA-N 0 0 307.344 3.137 20 10 DGCDRN C[C@H]([NH2+]CCO[C@@H]1CCOC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000927080407 628009749 /nfs/dbraw/zinc/00/97/49/628009749.db2.gz IYQVOSYMUXKHDX-VHSXEESVSA-N 0 0 320.216 3.155 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CC12CC2)c1cc(Br)cc(F)c1[O-] ZINC000818355898 628017830 /nfs/dbraw/zinc/01/78/30/628017830.db2.gz KYMRFEMVHOXJFZ-WRWORJQWSA-N 0 0 300.171 3.497 20 10 DGCDRN CC[C@H](Nc1ccc(COCCO)cc1)c1ccccc1O ZINC000818362540 628019106 /nfs/dbraw/zinc/01/91/06/628019106.db2.gz WOYXSAIZMPXFQZ-KRWDZBQOSA-N 0 0 301.386 3.464 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000840360070 628023727 /nfs/dbraw/zinc/02/37/27/628023727.db2.gz LJQAUUNSUXHGNV-VIBAHUMZSA-N 0 0 315.461 3.090 20 10 DGCDRN Cc1ccc(OCCCC(=O)NCCc2ccc(N)cc2)cc1 ZINC000818546284 628034393 /nfs/dbraw/zinc/03/43/93/628034393.db2.gz GKPNQJHUDXAMES-UHFFFAOYSA-N 0 0 312.413 3.095 20 10 DGCDRN CC(C)Cn1ncc(C(=O)Nc2ccc(N)cc2)c1C(F)F ZINC000818556547 628035376 /nfs/dbraw/zinc/03/53/76/628035376.db2.gz ZITNYWZYWKAXDO-UHFFFAOYSA-N 0 0 308.332 3.311 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1CCSC2(CCC2)C1 ZINC000927259296 628039613 /nfs/dbraw/zinc/03/96/13/628039613.db2.gz QAKLMXRIZYDBCU-AWEZNQCLSA-N 0 0 320.458 3.352 20 10 DGCDRN Cc1ccc2c(c1)CN(C(=O)c1cccc(O)c1O)C(C)(C)C2 ZINC000818647747 628046372 /nfs/dbraw/zinc/04/63/72/628046372.db2.gz DJTNTZYHBDUTNF-UHFFFAOYSA-N 0 0 311.381 3.383 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@@]23C[C@@H]2CCCC3)cc1 ZINC000927431998 628065965 /nfs/dbraw/zinc/06/59/65/628065965.db2.gz VDFBSNGCPPJEDW-BLLLJJGKSA-N 0 0 300.362 3.159 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)/C=C\[C@H]2CCCO2)cc1 ZINC000819040303 628082185 /nfs/dbraw/zinc/08/21/85/628082185.db2.gz ZJCWDOOCYJIUEI-MENFKHAKSA-N 0 0 316.445 3.226 20 10 DGCDRN O=C1CN(Cc2ccccc2O)C(=O)N1CCC1=CCCCC1 ZINC000819166042 628103813 /nfs/dbraw/zinc/10/38/13/628103813.db2.gz KOAUGPVEAWQIAL-UHFFFAOYSA-N 0 0 314.385 3.047 20 10 DGCDRN COCCCOc1ccccc1NC[C@@H](O)CC1CCCC1 ZINC000819421152 628152207 /nfs/dbraw/zinc/15/22/07/628152207.db2.gz FDDSRNJIIOXEIQ-INIZCTEOSA-N 0 0 307.434 3.455 20 10 DGCDRN COCCOc1ccccc1NC[C@@H](O)CCc1ccccc1 ZINC000819427816 628153233 /nfs/dbraw/zinc/15/32/33/628153233.db2.gz WMRMJVOUEWKDNB-KRWDZBQOSA-N 0 0 315.413 3.117 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@H](C)CC2)cc1 ZINC000928532622 628160207 /nfs/dbraw/zinc/16/02/07/628160207.db2.gz YQINMXGDRCDRFB-MRXNPFEDSA-N 0 0 312.413 3.345 20 10 DGCDRN O[C@@H](CNc1ccccc1OCCF)Cc1ccc(F)cc1 ZINC000819487820 628162169 /nfs/dbraw/zinc/16/21/69/628162169.db2.gz IWQVRWHCMUEPKE-OAHLLOKOSA-N 0 0 307.340 3.190 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNC(=O)CC3CCCC3)C2)cc1 ZINC000819578483 628170809 /nfs/dbraw/zinc/17/08/09/628170809.db2.gz NBMALTXXBIHNNN-INIZCTEOSA-N 0 0 316.445 3.218 20 10 DGCDRN CCCCCC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819579773 628170974 /nfs/dbraw/zinc/17/09/74/628170974.db2.gz CSTLOYBCGKOLBA-HNNXBMFYSA-N 0 0 304.434 3.218 20 10 DGCDRN C=C/C(C)=C/CC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819586579 628171444 /nfs/dbraw/zinc/17/14/44/628171444.db2.gz ADLGWRIMSSUPFF-UZPPOTPCSA-N 0 0 314.429 3.160 20 10 DGCDRN CCC(C)(C)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819583496 628171498 /nfs/dbraw/zinc/17/14/98/628171498.db2.gz WYFCFAANBBATDA-CQSZACIVSA-N 0 0 304.434 3.074 20 10 DGCDRN COc1ccc(CNC(=O)NC[C@H]2CCC[C@@H]2C2CC2)c(O)c1 ZINC000840392912 628177734 /nfs/dbraw/zinc/17/77/34/628177734.db2.gz QQMOMQGBCGOCQQ-CZUORRHYSA-N 0 0 318.417 3.026 20 10 DGCDRN O=C(NCc1c(O)cccc1F)C1(C(F)(F)F)CCCC1 ZINC000928706652 628179625 /nfs/dbraw/zinc/17/96/25/628179625.db2.gz UDIFWCNFTRFKET-UHFFFAOYSA-N 0 0 305.271 3.270 20 10 DGCDRN Cc1ccc(CO[C@@H](C)C(=O)NCc2c(O)cccc2F)cc1 ZINC000928710087 628180219 /nfs/dbraw/zinc/18/02/19/628180219.db2.gz GTUFEBVNHSSWPH-ZDUSSCGKSA-N 0 0 317.360 3.061 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000928710249 628180400 /nfs/dbraw/zinc/18/04/00/628180400.db2.gz RGKMHVPTSSFTFE-KGLIPLIRSA-N 0 0 317.335 3.480 20 10 DGCDRN COc1ccccc1[C@H](C)CC(=O)NCc1c(O)cccc1F ZINC000928712679 628180633 /nfs/dbraw/zinc/18/06/33/628180633.db2.gz VXQOPMLQJNSPFB-GFCCVEGCSA-N 0 0 317.360 3.350 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC2=NC[C@@H](C)S2)cc1 ZINC000819764296 628186834 /nfs/dbraw/zinc/18/68/34/628186834.db2.gz TTWNDZGKKVIMHG-CYBMUJFWSA-N 0 0 313.426 3.315 20 10 DGCDRN Cc1cc(C)c2c(N)c(C(=O)OC[C@H]3CCCCO3)sc2n1 ZINC000928974146 628202208 /nfs/dbraw/zinc/20/22/08/628202208.db2.gz BQOYHQISRAKETF-LLVKDONJSA-N 0 0 320.414 3.221 20 10 DGCDRN O=C(NCc1ccccc1O)NCC1C2CC3CC(C2)CC1C3 ZINC000928997165 628203426 /nfs/dbraw/zinc/20/34/26/628203426.db2.gz FWWPACCUBVCWRM-UHFFFAOYSA-N 0 0 314.429 3.264 20 10 DGCDRN Cc1cc(C(=O)N2CC[C@@H]2C(F)(F)F)c(C)n1-c1ccccn1 ZINC000820024054 628214075 /nfs/dbraw/zinc/21/40/75/628214075.db2.gz SMFZUMBGGOHWPQ-CYBMUJFWSA-N 0 0 323.318 3.266 20 10 DGCDRN CS[C@@H]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000820077201 628221852 /nfs/dbraw/zinc/22/18/52/628221852.db2.gz VTEXKNLAYJGFJX-CHWSQXEVSA-N 0 0 320.418 3.253 20 10 DGCDRN CCSCC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820417635 628255497 /nfs/dbraw/zinc/25/54/97/628255497.db2.gz DCTLSCGZTQIWJU-SNVBAGLBSA-N 0 0 308.407 3.111 20 10 DGCDRN c1csc(Sc2ncnc3c2ncn3-c2ccccc2)n1 ZINC000820635524 628280782 /nfs/dbraw/zinc/28/07/82/628280782.db2.gz WBSIJQHBRXOYIX-UHFFFAOYSA-N 0 0 311.395 3.423 20 10 DGCDRN COc1ccc(N2CCN(C(=O)CC(C)=C(C)C)CC2)cc1F ZINC000820720066 628291824 /nfs/dbraw/zinc/29/18/24/628291824.db2.gz CSCLXWGTCWFBKW-UHFFFAOYSA-N 0 0 320.408 3.229 20 10 DGCDRN O=C(Cc1csc(C2CCCC2)n1)NCc1ccccc1O ZINC000821060856 628333842 /nfs/dbraw/zinc/33/38/42/628333842.db2.gz MBUOSKCBBNAIIO-UHFFFAOYSA-N 0 0 316.426 3.365 20 10 DGCDRN COc1ccc(N2CCN(Cc3c(C)nsc3C)CC2)cc1 ZINC000821387992 628362474 /nfs/dbraw/zinc/36/24/74/628362474.db2.gz ZZTZZRYXJUFBOM-UHFFFAOYSA-N 0 0 317.458 3.091 20 10 DGCDRN O=C1CC[C@@H](CN2CCCc3cc(OC(F)(F)F)ccc32)O1 ZINC000821391364 628363086 /nfs/dbraw/zinc/36/30/86/628363086.db2.gz JUSOAEJUZCDNEL-LBPRGKRZSA-N 0 0 315.291 3.043 20 10 DGCDRN O=C(CCCc1cccnc1)NCc1ccc(N2CCCC2)cc1 ZINC000821841734 628402318 /nfs/dbraw/zinc/40/23/18/628402318.db2.gz FEJUVSXNDJNOSE-UHFFFAOYSA-N 0 0 323.440 3.321 20 10 DGCDRN CCc1ccc(CC(=O)NCc2ccc(N3CCCC3)cc2)nc1 ZINC000821841889 628402677 /nfs/dbraw/zinc/40/26/77/628402677.db2.gz GQQRAMJJGKOSII-UHFFFAOYSA-N 0 0 323.440 3.103 20 10 DGCDRN C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1(C)C ZINC000821938387 628411393 /nfs/dbraw/zinc/41/13/93/628411393.db2.gz SFNVFVATOSGDBR-LLVKDONJSA-N 0 0 302.378 3.357 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2cc3c([nH]2)CCCC3)cc1 ZINC000822265514 628434380 /nfs/dbraw/zinc/43/43/80/628434380.db2.gz RCLGNUPENRHICR-UHFFFAOYSA-N 0 0 311.429 3.232 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000822443618 628451493 /nfs/dbraw/zinc/45/14/93/628451493.db2.gz YPCFVBHVATYUBG-TZMCWYRMSA-N 0 0 323.801 3.055 20 10 DGCDRN CCC(CC)NC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000822579601 628467300 /nfs/dbraw/zinc/46/73/00/628467300.db2.gz GGBHWGIFDYGGNK-AWEZNQCLSA-N 0 0 319.449 3.009 20 10 DGCDRN CCC[C@H](C)NC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000822580159 628467486 /nfs/dbraw/zinc/46/74/86/628467486.db2.gz QXBYJLAZPYHJQZ-GJZGRUSLSA-N 0 0 319.449 3.009 20 10 DGCDRN CCc1nocc1C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000822608701 628470062 /nfs/dbraw/zinc/47/00/62/628470062.db2.gz WYDICDAOSYDOJD-UHFFFAOYSA-N 0 0 301.390 3.013 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCCC[C@H]2C(F)F)cc1 ZINC000822708392 628482554 /nfs/dbraw/zinc/48/25/54/628482554.db2.gz JMTUUKUMVXZIHA-NSHDSACASA-N 0 0 310.304 3.109 20 10 DGCDRN CC/C(C)=C\C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000823003320 628518174 /nfs/dbraw/zinc/51/81/74/628518174.db2.gz FHAJBHMAYPBDGF-YPKPFQOOSA-N 0 0 302.418 3.137 20 10 DGCDRN CC(C)[C@@H]1N(C(=O)c2ccc(N=NC(N)=O)cc2)CC12CCC2 ZINC000823090372 628524982 /nfs/dbraw/zinc/52/49/82/628524982.db2.gz OICRVOXPPWBBGD-AWEZNQCLSA-N 0 0 314.389 3.500 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC1(C2CC2)CC1 ZINC000840477870 628542433 /nfs/dbraw/zinc/54/24/33/628542433.db2.gz ARUAJWPTFXMYBR-AWEZNQCLSA-N 0 0 315.461 3.234 20 10 DGCDRN CCN(CC)c1ccc(CN(C)Cc2c(C)nnn2CC)cc1 ZINC000823390536 628555436 /nfs/dbraw/zinc/55/54/36/628555436.db2.gz HXRBNDXBUORCSM-UHFFFAOYSA-N 0 0 315.465 3.085 20 10 DGCDRN CCn1cc(N(CC(C)C)C(=O)/C=C\c2cncc(F)c2)cn1 ZINC000823430370 628560776 /nfs/dbraw/zinc/56/07/76/628560776.db2.gz MDESDDBHZWOMLD-WAYWQWQTSA-N 0 0 316.380 3.140 20 10 DGCDRN CCn1cc(N(CC(C)C)C(=O)/C=C\c2cncc(C)c2)cn1 ZINC000823431510 628561331 /nfs/dbraw/zinc/56/13/31/628561331.db2.gz ZVASTIUXXOEUEO-SREVYHEPSA-N 0 0 312.417 3.309 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[C@@H](C)C1 ZINC000840479627 628563686 /nfs/dbraw/zinc/56/36/86/628563686.db2.gz PWJSIIUKKRSIMO-UKRRQHHQSA-N 0 0 303.450 3.043 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1C[C@H]1C1CCC1)c1ccc(N(C)C)cc1 ZINC000823482827 628567196 /nfs/dbraw/zinc/56/71/96/628567196.db2.gz YWOFXGOFTBAVMZ-AFAVFJNCSA-N 0 0 301.434 3.301 20 10 DGCDRN C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)CC(F)(F)F ZINC000823587443 628577042 /nfs/dbraw/zinc/57/70/42/628577042.db2.gz MPMPYQDSFIKMJK-MRVPVSSYSA-N 0 0 316.283 3.167 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1[C@H](C)C[C@@H]1C ZINC000840481408 628583160 /nfs/dbraw/zinc/58/31/60/628583160.db2.gz DMBLHILGLPJQFH-SOUVJXGZSA-N 0 0 303.450 3.184 20 10 DGCDRN CC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CC1(C)C ZINC000823683032 628586694 /nfs/dbraw/zinc/58/66/94/628586694.db2.gz PPJNJLAPQCHKON-CHWSQXEVSA-N 0 0 302.378 3.404 20 10 DGCDRN C[C@H]1Cc2cccc(C(=O)NCc3ccc(N(C)C)cc3)c2O1 ZINC000823729456 628591091 /nfs/dbraw/zinc/59/10/91/628591091.db2.gz HAHDKYFGKVRCNB-ZDUSSCGKSA-N 0 0 310.397 3.006 20 10 DGCDRN CC(C)c1ccc(C(=O)NCc2cc(Cl)ccc2O)c(=O)[nH]1 ZINC000823986834 628616466 /nfs/dbraw/zinc/61/64/66/628616466.db2.gz PBMOVMJNMOXRRB-UHFFFAOYSA-N 0 0 320.776 3.200 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)Cc2c[nH]nc2C)cc1 ZINC000824046089 628621597 /nfs/dbraw/zinc/62/15/97/628621597.db2.gz IFSZRVBPMCMQNA-UHFFFAOYSA-N 0 0 322.412 3.398 20 10 DGCDRN C[C@@H]1CSc2ccccc2N(C(=O)/C=C\c2cn(C)cn2)C1 ZINC000824462108 628662343 /nfs/dbraw/zinc/66/23/43/628662343.db2.gz PJUDYOPDLCSTQP-WSROAFLRSA-N 0 0 313.426 3.208 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@H]2CSc3ccccc32)c1 ZINC000824484041 628664951 /nfs/dbraw/zinc/66/49/51/628664951.db2.gz YSPBXUOQZAVKJH-LBPRGKRZSA-N 0 0 316.382 3.280 20 10 DGCDRN CCCn1ncc(NCc2cc3c(cc2O)OCO3)c1C1CC1 ZINC000824631056 628678538 /nfs/dbraw/zinc/67/85/38/628678538.db2.gz VHVRSHZRVTZOTF-UHFFFAOYSA-N 0 0 315.373 3.217 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000824723071 628687710 /nfs/dbraw/zinc/68/77/10/628687710.db2.gz ZYGCZFHAPFBVLG-DFBGVHRSSA-N 0 0 313.800 3.310 20 10 DGCDRN CCCN(CC)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840490295 628693602 /nfs/dbraw/zinc/69/36/02/628693602.db2.gz ZEOSPZMPFILXQW-HNNXBMFYSA-N 0 0 305.466 3.434 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC1(CF)CCOCC1 ZINC000824795022 628694646 /nfs/dbraw/zinc/69/46/46/628694646.db2.gz KVUGLYDSXHDOFR-UHFFFAOYSA-N 0 0 305.752 3.041 20 10 DGCDRN CCn1cc(C[N@H+](C)Cc2ccc(Br)cc2O)cn1 ZINC000824819110 628697103 /nfs/dbraw/zinc/69/71/03/628697103.db2.gz LUCBHUCQQDAKEF-UHFFFAOYSA-N 0 0 324.222 3.003 20 10 DGCDRN C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H](C)C1(F)F ZINC000824856503 628700500 /nfs/dbraw/zinc/70/05/00/628700500.db2.gz FSAGQKQENJVANI-NXEZZACHSA-N 0 0 324.331 3.212 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NCC[C@H]2CC=CCC2)cc1 ZINC000824976159 628712533 /nfs/dbraw/zinc/71/25/33/628712533.db2.gz QFRORAMXILUFCJ-LBPRGKRZSA-N 0 0 300.362 3.325 20 10 DGCDRN COc1ccc(NCc2cc(Cl)c(C)cc2O)cc1CO ZINC000825002131 628715390 /nfs/dbraw/zinc/71/53/90/628715390.db2.gz DYWQYULEPGTXRK-UHFFFAOYSA-N 0 0 307.777 3.467 20 10 DGCDRN COCC[C@H](C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000825178570 628735662 /nfs/dbraw/zinc/73/56/62/628735662.db2.gz MXZPHFQJSSOSEE-AWEZNQCLSA-N 0 0 314.429 3.178 20 10 DGCDRN CCS(=O)(=O)Cc1ccc(NCc2cc(F)ccc2O)cc1 ZINC000825315453 628748516 /nfs/dbraw/zinc/74/85/16/628748516.db2.gz AWVSQWZLQAGUSK-UHFFFAOYSA-N 0 0 323.389 3.078 20 10 DGCDRN COC[C@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000825321685 628749126 /nfs/dbraw/zinc/74/91/26/628749126.db2.gz LBSLLDRNUZIRMO-NSHDSACASA-N 0 0 301.789 3.433 20 10 DGCDRN CCc1cc(NCc2ccc(Br)cc2O)n(C)n1 ZINC000825435640 628760835 /nfs/dbraw/zinc/76/08/35/628760835.db2.gz FVSFJLLDMOHOML-UHFFFAOYSA-N 0 0 310.195 3.063 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000825464026 628764066 /nfs/dbraw/zinc/76/40/66/628764066.db2.gz BJJXXGWNANFZLQ-LZWOXQAQSA-N 0 0 319.449 3.182 20 10 DGCDRN COCc1csc(CN2CCOc3cc(N(C)C)ccc32)c1 ZINC000825520177 628770845 /nfs/dbraw/zinc/77/08/45/628770845.db2.gz VLNVSPUIHQXSFF-UHFFFAOYSA-N 0 0 318.442 3.360 20 10 DGCDRN COc1cc(CN[C@@H](C)c2nc(C)no2)c(O)c(C(C)(C)C)c1 ZINC000825680030 628785016 /nfs/dbraw/zinc/78/50/16/628785016.db2.gz BBCIRZVNRVJXBK-JTQLQIEISA-N 0 0 319.405 3.241 20 10 DGCDRN C[C@@H](CSCCF)[NH2+]Cc1cccc(Br)c1[O-] ZINC000825710338 628788474 /nfs/dbraw/zinc/78/84/74/628788474.db2.gz MFFZFIANNGHJQR-VIFPVBQESA-N 0 0 322.243 3.336 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2scnc2C(C)C)c1 ZINC000825737040 628793155 /nfs/dbraw/zinc/79/31/55/628793155.db2.gz QSOZDZIDIMRQOZ-SNVBAGLBSA-N 0 0 320.414 3.472 20 10 DGCDRN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1cc(Cl)c(C)cc1O ZINC000825884771 628806874 /nfs/dbraw/zinc/80/68/74/628806874.db2.gz ACRVPAVFBXWUFS-GPMVNZHBSA-N 0 0 307.821 3.209 20 10 DGCDRN CCN(C)c1ccc([C@@H](C)[NH2+]C2CCC(NC(=O)[O-])CC2)cc1 ZINC000826992876 628910934 /nfs/dbraw/zinc/91/09/34/628910934.db2.gz WKJBQQKGWMHHHI-IUDNXUCKSA-N 0 0 319.449 3.372 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)/C=C(/C)c1cnccn1 ZINC000827081831 628919876 /nfs/dbraw/zinc/91/98/76/628919876.db2.gz VTVNUMQZQFBPJV-KAMYIIQDSA-N 0 0 311.385 3.024 20 10 DGCDRN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H](C)[C@H]1O ZINC000827152053 628928798 /nfs/dbraw/zinc/92/87/98/628928798.db2.gz PTTAZDSYLSVNCY-WOFXILAISA-N 0 0 304.217 3.148 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@]2(c3ccccc3)CCCO2)c1 ZINC000827167913 628931767 /nfs/dbraw/zinc/93/17/67/628931767.db2.gz UGCZUTBMQLVEKP-LJQANCHMSA-N 0 0 311.381 3.023 20 10 DGCDRN COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H](O)c3ccccc32)c1O ZINC000827179386 628932845 /nfs/dbraw/zinc/93/28/45/628932845.db2.gz WLPYBWTVORZCEQ-CABCVRRESA-N 0 0 319.788 3.322 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000827250892 628941471 /nfs/dbraw/zinc/94/14/71/628941471.db2.gz CBALEVYCQFULQI-OLZOCXBDSA-N 0 0 321.726 3.089 20 10 DGCDRN C[C@]12COC[C@@H]1C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC000827284695 628945827 /nfs/dbraw/zinc/94/58/27/628945827.db2.gz VMMCUPDCULMQCR-HZMBPMFUSA-N 0 0 302.201 3.167 20 10 DGCDRN CCCN(CCC)c1ccc(CN(C)Cc2cn(C)nn2)cc1 ZINC000827304664 628947230 /nfs/dbraw/zinc/94/72/30/628947230.db2.gz BXNGUAIDKXUCQC-UHFFFAOYSA-N 0 0 315.465 3.074 20 10 DGCDRN Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2cccc(Cl)c2[O-])cn1 ZINC000827322053 628949039 /nfs/dbraw/zinc/94/90/39/628949039.db2.gz STIHDXIJTCFBJL-BBRMVZONSA-N 0 0 319.836 3.280 20 10 DGCDRN Nc1ccc(CC(=O)NCc2cc3c(s2)CCCC3)cc1 ZINC000827325769 628949452 /nfs/dbraw/zinc/94/94/52/628949452.db2.gz GOBZDJVHQDYNNJ-UHFFFAOYSA-N 0 0 300.427 3.068 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cnc2[nH]ccc2c1 ZINC000827323054 628949764 /nfs/dbraw/zinc/94/97/64/628949764.db2.gz FMJJTDNKSLWTPV-UHFFFAOYSA-N 0 0 321.380 3.029 20 10 DGCDRN Cc1cc(C(=O)CN2CCCCC2)c(C)n1-c1ccc(F)cn1 ZINC000827377696 628954619 /nfs/dbraw/zinc/95/46/19/628954619.db2.gz CBLHUBZTGKZYJU-UHFFFAOYSA-N 0 0 315.392 3.297 20 10 DGCDRN COc1ccc(O)c(CNCC(F)(F)c2ccc(F)cc2)c1 ZINC000827612975 628977037 /nfs/dbraw/zinc/97/70/37/628977037.db2.gz JOBMULZCKXWQRN-UHFFFAOYSA-N 0 0 311.303 3.422 20 10 DGCDRN C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000827733792 628986258 /nfs/dbraw/zinc/98/62/58/628986258.db2.gz OHOJNGWSMLSTKV-MLGOLLRUSA-N 0 0 305.805 3.300 20 10 DGCDRN CC(C)Oc1cc(C(=O)N[C@H](C)c2ccccc2O)ccn1 ZINC000827936871 629005256 /nfs/dbraw/zinc/00/52/56/629005256.db2.gz DYWAAVVQSXFDGZ-GFCCVEGCSA-N 0 0 300.358 3.065 20 10 DGCDRN CCn1nc(C)c(C(=O)N[C@H](C)c2ccccc2O)c1Cl ZINC000827937431 629005465 /nfs/dbraw/zinc/00/54/65/629005465.db2.gz WGRWJPMCOAHYJC-SECBINFHSA-N 0 0 307.781 3.061 20 10 DGCDRN C[C@@H](NC(=O)[C@H]1CCC(=O)[C@H](C)C1(C)C)c1ccccc1O ZINC000827940480 629005864 /nfs/dbraw/zinc/00/58/64/629005864.db2.gz DPGVMFGVVPHELE-OUCADQQQSA-N 0 0 303.402 3.211 20 10 DGCDRN Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N[C@H](C)c1ccccc1O ZINC000827940855 629005882 /nfs/dbraw/zinc/00/58/82/629005882.db2.gz JKYWWTYSLBYYRR-WDEREUQCSA-N 0 0 301.390 3.103 20 10 DGCDRN C[C@@H](NC(=O)CCCc1ccc(O)c(F)c1)c1ccccc1O ZINC000827947032 629006615 /nfs/dbraw/zinc/00/66/15/629006615.db2.gz YVHJPYGZMDZLGU-GFCCVEGCSA-N 0 0 317.360 3.437 20 10 DGCDRN Cc1ccc(CC(=O)N[C@H](C)c2ccccc2O)c(Cl)n1 ZINC000827946220 629006672 /nfs/dbraw/zinc/00/66/72/629006672.db2.gz ARBOBJHOSALZFO-LLVKDONJSA-N 0 0 304.777 3.169 20 10 DGCDRN CC(C)C[C@H](C(=O)N[C@H](C)c1ccccc1O)n1ccnc1 ZINC000827952304 629006935 /nfs/dbraw/zinc/00/69/35/629006935.db2.gz NBXKIDBRRDXXPH-UKRRQHHQSA-N 0 0 301.390 3.053 20 10 DGCDRN C[C@H](NC(=O)CCc1cccnc1Cl)c1ccccc1O ZINC000827959578 629008026 /nfs/dbraw/zinc/00/80/26/629008026.db2.gz BGEOROUMULCKGJ-NSHDSACASA-N 0 0 304.777 3.251 20 10 DGCDRN CC(C)n1ncc(C(=O)N[C@@H](C)c2ccccc2O)c1Cl ZINC000827957329 629008362 /nfs/dbraw/zinc/00/83/62/629008362.db2.gz UCXOWNYJVAMPDE-JTQLQIEISA-N 0 0 307.781 3.314 20 10 DGCDRN Cc1csc([C@@H](C)C(=O)NCc2ccc(N(C)C)cc2C)n1 ZINC000827957994 629008372 /nfs/dbraw/zinc/00/83/72/629008372.db2.gz XHKSPCKIZPRVBL-ZDUSSCGKSA-N 0 0 317.458 3.246 20 10 DGCDRN C[C@@H](C(=O)N[C@@H](C)c1ccccc1O)c1ccc2c(c1)OCO2 ZINC000827963796 629008801 /nfs/dbraw/zinc/00/88/01/629008801.db2.gz AQRPSPVSDNTKGY-NEPJUHHUSA-N 0 0 313.353 3.102 20 10 DGCDRN CCCCn1cc(C(=O)N[C@@H](C)c2ccccc2O)c(C)n1 ZINC000827969855 629009866 /nfs/dbraw/zinc/00/98/66/629009866.db2.gz SONHTFGVWXGOGH-LBPRGKRZSA-N 0 0 301.390 3.188 20 10 DGCDRN CCSc1ccc(C(=O)N[C@@H](C)c2ccccc2O)cn1 ZINC000827977909 629010375 /nfs/dbraw/zinc/01/03/75/629010375.db2.gz BYZBNJCRTIJSBR-NSHDSACASA-N 0 0 302.399 3.390 20 10 DGCDRN CCOc1ccc(N(CC)Cc2nc(C3CC3)nn2C)cc1 ZINC000828044586 629017331 /nfs/dbraw/zinc/01/73/31/629017331.db2.gz CLJDEJJIYADTDS-UHFFFAOYSA-N 0 0 300.406 3.118 20 10 DGCDRN COc1ccc(N(C)C[C@H](O)[C@@H](C)c2ccccc2)cc1F ZINC000828040676 629017591 /nfs/dbraw/zinc/01/75/91/629017591.db2.gz LIYYBTKNCNUNFG-GUYCJALGSA-N 0 0 303.377 3.435 20 10 DGCDRN Oc1ccccc1C[N@H+](CCC[C@H]1CCOC1)C[C@H]1CCCO1 ZINC000828062136 629019747 /nfs/dbraw/zinc/01/97/47/629019747.db2.gz BYIDBXQDPYGAFE-FUHWJXTLSA-N 0 0 319.445 3.190 20 10 DGCDRN CCn1nnc(C)c1CN(c1ccc(OC)c(F)c1)C(C)C ZINC000828267811 629039728 /nfs/dbraw/zinc/03/97/28/629039728.db2.gz OHICNRMNYGLFCM-UHFFFAOYSA-N 0 0 306.385 3.169 20 10 DGCDRN CCn1nc(C)c(CN(c2ccc(OC)c(F)c2)C(C)C)n1 ZINC000828268019 629039945 /nfs/dbraw/zinc/03/99/45/629039945.db2.gz PXXQWISCNFPIMN-UHFFFAOYSA-N 0 0 306.385 3.169 20 10 DGCDRN C[C@H](NC(=O)[C@@]1(c2ccccc2)CCCO1)c1ccccc1O ZINC000828539916 629064837 /nfs/dbraw/zinc/06/48/37/629064837.db2.gz WGFCYMFSIIEQKG-LIRRHRJNSA-N 0 0 311.381 3.275 20 10 DGCDRN CC[C@](C)(NCc1ccc(N2CCCCC2)c(C)c1)C(=O)OC ZINC000828583478 629070764 /nfs/dbraw/zinc/07/07/64/629070764.db2.gz XXOXDNKSAPVCIL-IBGZPJMESA-N 0 0 318.461 3.417 20 10 DGCDRN O=C(N[C@H](Cc1cccnc1)C1CCCC1)C1=CC(=O)CS1 ZINC000828598532 629073456 /nfs/dbraw/zinc/07/34/56/629073456.db2.gz HNKMPIATVLOJCU-OAHLLOKOSA-N 0 0 316.426 3.380 20 10 DGCDRN Cc1cc(CC(=O)NCc2ccn(C)c2)c(C)n1-c1ccccc1 ZINC000829600706 629173304 /nfs/dbraw/zinc/17/33/04/629173304.db2.gz QKRHJQPLBSWIHU-UHFFFAOYSA-N 0 0 321.424 3.292 20 10 DGCDRN CCOc1cccc(C[NH2+]C2(CC(=O)[O-])CCCCC2)c1O ZINC000830104857 629226112 /nfs/dbraw/zinc/22/61/12/629226112.db2.gz WSRHTCPPSLFLHV-UHFFFAOYSA-N 0 0 307.390 3.058 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](OC)C1CCCC1 ZINC000830141119 629229554 /nfs/dbraw/zinc/22/95/54/629229554.db2.gz NDOMOWTUFROEMU-QGZVFWFLSA-N 0 0 305.418 3.336 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccnn1CCC ZINC000830147358 629230741 /nfs/dbraw/zinc/23/07/41/629230741.db2.gz RWXAQFQJRLHEAA-UHFFFAOYSA-N 0 0 301.390 3.051 20 10 DGCDRN Cc1cc(C(=O)NCc2c(O)ccc3c2CCCC3)ccc1N ZINC000830597600 629286733 /nfs/dbraw/zinc/28/67/33/629286733.db2.gz PTGFPDXDRXDUBV-UHFFFAOYSA-N 0 0 310.397 3.092 20 10 DGCDRN CN(C)c1ccc(C[N@H+](C)Cc2ccsc2C(=O)[O-])cc1 ZINC000830831192 629309571 /nfs/dbraw/zinc/30/95/71/629309571.db2.gz TYTCSMKWQQJHJP-UHFFFAOYSA-N 0 0 304.415 3.144 20 10 DGCDRN Nc1ccc(CCNC(=O)N[C@@H](C2CCC2)C2CCCC2)cc1 ZINC000831177702 629346851 /nfs/dbraw/zinc/34/68/51/629346851.db2.gz AEVJKKIKJHKSSI-GOSISDBHSA-N 0 0 315.461 3.469 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CCCC[C@H]2C2CCC2)cc1 ZINC000831178104 629346862 /nfs/dbraw/zinc/34/68/62/629346862.db2.gz IGFYDCUDSPUPSA-KRWDZBQOSA-N 0 0 301.434 3.176 20 10 DGCDRN COc1ccc(N(Cc2ncnn2C(C)C)CC2CC2)cc1 ZINC000831588368 629394217 /nfs/dbraw/zinc/39/42/17/629394217.db2.gz YAVGULHZZDNRIP-UHFFFAOYSA-N 0 0 300.406 3.284 20 10 DGCDRN COc1ccc(N(Cc2nnc3n2CCCC3)CC2CC2)cc1 ZINC000831588275 629394246 /nfs/dbraw/zinc/39/42/46/629394246.db2.gz WHUGASBKDLNPRI-UHFFFAOYSA-N 0 0 312.417 3.040 20 10 DGCDRN CC(=O)N1CCC[C@H]1c1noc(-c2ccc(-n3cccc3)cc2)n1 ZINC000867075930 629446782 /nfs/dbraw/zinc/44/67/82/629446782.db2.gz PZKAMYDHNRNYNN-INIZCTEOSA-N 0 0 322.368 3.211 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCC[C@H](C)CCO ZINC000833223204 629572424 /nfs/dbraw/zinc/57/24/24/629572424.db2.gz PSPYTBREWOEGJU-LBPRGKRZSA-N 0 0 320.458 3.294 20 10 DGCDRN CC[C@H](CO)N(C)C(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000833337480 629587125 /nfs/dbraw/zinc/58/71/25/629587125.db2.gz PWNICJJTSRYJND-MRXNPFEDSA-N 0 0 314.429 3.245 20 10 DGCDRN CCCn1ncc(NC(=O)c2ccc(C)c(O)c2O)c1C1CC1 ZINC000834043498 629666669 /nfs/dbraw/zinc/66/66/69/629666669.db2.gz CVMISKBAQCBNHR-UHFFFAOYSA-N 0 0 315.373 3.142 20 10 DGCDRN CN(Cc1cccs1)c1ccc(CNc2nncn2C)cc1 ZINC000834475297 629715702 /nfs/dbraw/zinc/71/57/02/629715702.db2.gz PRZNOVVSFYPQJO-UHFFFAOYSA-N 0 0 313.430 3.125 20 10 DGCDRN C[C@H]1C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CCS1 ZINC000834630532 629743041 /nfs/dbraw/zinc/74/30/41/629743041.db2.gz CUCUYGYRBCHRDF-WPRPVWTQSA-N 0 0 323.439 3.326 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ccccc1OCC1CC1 ZINC000101645707 629766312 /nfs/dbraw/zinc/76/63/12/629766312.db2.gz FSTUAQDKRCZNAE-UHFFFAOYSA-N 0 0 311.381 3.453 20 10 DGCDRN COC[C@@](C)(O)CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000834844724 629788956 /nfs/dbraw/zinc/78/89/56/629788956.db2.gz UFVFYHIFYCECMF-XPTSAGLGSA-N 0 0 322.232 3.137 20 10 DGCDRN C[C@H]([NH2+]CCC(C)(C)CO)c1cccc(C(F)(F)F)c1[O-] ZINC000834872602 629794609 /nfs/dbraw/zinc/79/46/09/629794609.db2.gz ZLRFEUWVNSGQKI-JTQLQIEISA-N 0 0 305.340 3.470 20 10 DGCDRN CC[C@H]([NH2+]C(COC)COC)c1cc(Cl)cc(Cl)c1[O-] ZINC000834891050 629798850 /nfs/dbraw/zinc/79/88/50/629798850.db2.gz LSQAPOSLLGWACV-ZDUSSCGKSA-N 0 0 322.232 3.401 20 10 DGCDRN COCC(COC)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000834891912 629798983 /nfs/dbraw/zinc/79/89/83/629798983.db2.gz QCCUPXGKLFRNOY-QMMMGPOBSA-N 0 0 308.205 3.011 20 10 DGCDRN CC[C@H]([NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1[O-])C(=O)NC ZINC000834911200 629806926 /nfs/dbraw/zinc/80/69/26/629806926.db2.gz HUMJELYLSCFIJM-RYUDHWBXSA-N 0 0 319.232 3.264 20 10 DGCDRN CN(C)c1ccc(/C=C\CN(C)CC(=O)OC(C)(C)C)cc1 ZINC000835026791 629828245 /nfs/dbraw/zinc/82/82/45/629828245.db2.gz HSUUKVOQKYLWCK-FPLPWBNLSA-N 0 0 304.434 3.039 20 10 DGCDRN CN(C)c1ccc(/C=C\CN2CCO[C@H](c3ccco3)C2)cc1 ZINC000835027980 629829129 /nfs/dbraw/zinc/82/91/29/629829129.db2.gz HUGOUPQXWQQPOO-UABKOXTMSA-N 0 0 312.413 3.432 20 10 DGCDRN CN(C)c1ccc(/C=C/CN2CCOC[C@@H]2c2ccco2)cc1 ZINC000835030249 629829809 /nfs/dbraw/zinc/82/98/09/629829809.db2.gz WHSABLZGDCIGSK-YWPBOTNQSA-N 0 0 312.413 3.432 20 10 DGCDRN CON1CCC([N@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000835076557 629844888 /nfs/dbraw/zinc/84/48/88/629844888.db2.gz ROVHIIWKXNWCDK-UHFFFAOYSA-N 0 0 319.232 3.157 20 10 DGCDRN CN(CCNC(=O)OC(C)(C)C)Cc1c(O)cccc1Cl ZINC000835077253 629845460 /nfs/dbraw/zinc/84/54/60/629845460.db2.gz MWOHUGRTLDHETQ-UHFFFAOYSA-N 0 0 314.813 3.002 20 10 DGCDRN COc1ccc(N2CCN(C(=O)C3=CC[C@@H](C)CC3)CC2)cc1 ZINC000836206390 630083360 /nfs/dbraw/zinc/08/33/60/630083360.db2.gz DUKVQMOIRSRXCO-OAHLLOKOSA-N 0 0 314.429 3.090 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2)c(C2CC2)n1 ZINC000836238793 630088023 /nfs/dbraw/zinc/08/80/23/630088023.db2.gz LBDJZYHMLORRBP-UHFFFAOYSA-N 0 0 309.413 3.263 20 10 DGCDRN Cc1nn(-c2ccccc2)cc1C(=O)N(C)Cc1ccccc1O ZINC000102468405 630121183 /nfs/dbraw/zinc/12/11/83/630121183.db2.gz HPDKDWDXYCYPND-UHFFFAOYSA-N 0 0 321.380 3.159 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)COCC1CCCC1 ZINC000836497545 630122205 /nfs/dbraw/zinc/12/22/05/630122205.db2.gz QFOSOQPORAZAOL-UHFFFAOYSA-N 0 0 318.461 3.308 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCCCC(C)(F)F ZINC000836504117 630123381 /nfs/dbraw/zinc/12/33/81/630123381.db2.gz JHZQUORFOGUZEV-UHFFFAOYSA-N 0 0 313.392 3.296 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C2(C3CCC3)CCC2)cc1F ZINC000836532812 630128876 /nfs/dbraw/zinc/12/88/76/630128876.db2.gz PQYUJHYNWGWTKL-UHFFFAOYSA-N 0 0 304.409 3.478 20 10 DGCDRN CC[C@@H]1CCC[C@H]1CNC(=O)NCc1ccc(OC)cc1O ZINC000836559679 630133519 /nfs/dbraw/zinc/13/35/19/630133519.db2.gz RRGRQSJRKGZOJB-OLZOCXBDSA-N 0 0 306.406 3.026 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)COCC1CCCC1 ZINC000836761954 630159879 /nfs/dbraw/zinc/15/98/79/630159879.db2.gz IGIQEQWOVBFKBN-UHFFFAOYSA-N 0 0 305.418 3.338 20 10 DGCDRN COc1cccc(CNc2ccc(N3CCCC3=O)cc2)c1O ZINC000121476378 630189839 /nfs/dbraw/zinc/18/98/39/630189839.db2.gz DIXIEERVZKYCQP-UHFFFAOYSA-N 0 0 312.369 3.140 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(Cl)cn1 ZINC000121476674 630190539 /nfs/dbraw/zinc/19/05/39/630190539.db2.gz SBCWBAAHCCGQLJ-UHFFFAOYSA-N 0 0 303.793 3.039 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@]2(C)CC[C@H](C)C2(C)C)c1 ZINC000837483556 630265126 /nfs/dbraw/zinc/26/51/26/630265126.db2.gz BXLYLLFJWLFKPE-SGTLLEGYSA-N 0 0 305.418 3.479 20 10 DGCDRN COCC1(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCCC1 ZINC000837541158 630272955 /nfs/dbraw/zinc/27/29/55/630272955.db2.gz GGPGDRFEDYIAQZ-AWEZNQCLSA-N 0 0 304.434 3.137 20 10 DGCDRN COc1ccc(CNC(=O)[C@]2(C)CC[C@H](C)C2(C)C)c(O)c1 ZINC000837591647 630281412 /nfs/dbraw/zinc/28/14/12/630281412.db2.gz FRBWNRCEVBTVRP-SGTLLEGYSA-N 0 0 305.418 3.479 20 10 DGCDRN COc1ccc(CNC(=O)Cc2cccc(C(C)C)c2)c(O)c1 ZINC000837593311 630281826 /nfs/dbraw/zinc/28/18/26/630281826.db2.gz UBIIFSLNYJWCDS-UHFFFAOYSA-N 0 0 313.397 3.383 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](SC)C2)cc1 ZINC000837723933 630303371 /nfs/dbraw/zinc/30/33/71/630303371.db2.gz AUAQYBVZLHBBIH-MRXNPFEDSA-N 0 0 321.490 3.180 20 10 DGCDRN CCc1[nH]ccc1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840554369 630337452 /nfs/dbraw/zinc/33/74/52/630337452.db2.gz HACMXLISHMEQSU-CQSZACIVSA-N 0 0 313.445 3.313 20 10 DGCDRN Cc1cc(O)c([C@H]2NC3(CC3)C(=O)N2c2ccccc2)cc1C ZINC000840831036 630363634 /nfs/dbraw/zinc/36/36/34/630363634.db2.gz ZHUPIRBUYHMMMP-KRWDZBQOSA-N 0 0 308.381 3.177 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1nncn1Cc1ccccc1 ZINC000840880894 630371578 /nfs/dbraw/zinc/37/15/78/630371578.db2.gz FROADPZLBJPQKJ-UHFFFAOYSA-N 0 0 321.428 3.313 20 10 DGCDRN COCCCn1ccc(NCc2c(O)cc(C)cc2Cl)n1 ZINC000840905489 630375552 /nfs/dbraw/zinc/37/55/52/630375552.db2.gz GZMTZCKWECFYSC-UHFFFAOYSA-N 0 0 309.797 3.199 20 10 DGCDRN CNC(=O)c1cccc(NCc2ccc(N(C)C)cc2C)c1C ZINC000840920345 630378766 /nfs/dbraw/zinc/37/87/66/630378766.db2.gz HXRYBVDMONBCDS-UHFFFAOYSA-N 0 0 311.429 3.341 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1cn(C)nc1-c1ccccn1 ZINC000840936917 630380515 /nfs/dbraw/zinc/38/05/15/630380515.db2.gz OFXSWKUEGUFOGQ-UHFFFAOYSA-N 0 0 321.428 3.469 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ccc2c(c1)C(=O)N(C)CC2 ZINC000840936252 630380743 /nfs/dbraw/zinc/38/07/43/630380743.db2.gz HPQSIABSJUXKLF-UHFFFAOYSA-N 0 0 323.440 3.301 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ccc2c(c1)oc(=O)n2C ZINC000840935726 630380751 /nfs/dbraw/zinc/38/07/51/630380751.db2.gz BPAJKOJNMQFIPI-UHFFFAOYSA-N 0 0 311.385 3.118 20 10 DGCDRN COCCN(Cc1cccnc1)Cc1c(O)cc(C)cc1Cl ZINC000840948369 630382427 /nfs/dbraw/zinc/38/24/27/630382427.db2.gz GSRUUIKHVKLGJD-UHFFFAOYSA-N 0 0 320.820 3.398 20 10 DGCDRN COc1ccccc1N(CCO)Cc1ccc(N(C)C)cc1C ZINC000840946894 630382538 /nfs/dbraw/zinc/38/25/38/630382538.db2.gz QIJFXXLWMRZFEM-UHFFFAOYSA-N 0 0 314.429 3.069 20 10 DGCDRN COc1c([O-])c(C[NH2+]C[C@@H]2CCC[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000840954822 630384185 /nfs/dbraw/zinc/38/41/85/630384185.db2.gz OQQTYWXDTGRUEQ-JSGCOSHPSA-N 0 0 320.389 3.225 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CS[C@H](C)C2)c1 ZINC000840958058 630384982 /nfs/dbraw/zinc/38/49/82/630384982.db2.gz IDCOUISFCWWZPA-KOLCDFICSA-N 0 0 316.264 3.447 20 10 DGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H]2CCCC[C@H]2F)c1[O-] ZINC000840961568 630387623 /nfs/dbraw/zinc/38/76/23/630387623.db2.gz BKAJNRFBIXCDDO-GHMZBOCLSA-N 0 0 302.733 3.324 20 10 DGCDRN O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC000840974917 630389298 /nfs/dbraw/zinc/38/92/98/630389298.db2.gz QKHISMWVMPRMEC-AWEZNQCLSA-N 0 0 322.836 3.023 20 10 DGCDRN C[C@H](C(=O)[O-])[N@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000840995775 630392379 /nfs/dbraw/zinc/39/23/79/630392379.db2.gz VOLLHPWQRIMSPE-OAHLLOKOSA-N 0 0 324.424 3.154 20 10 DGCDRN C[C@H](CC(=O)[O-])[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000840995582 630392626 /nfs/dbraw/zinc/39/26/26/630392626.db2.gz XINXXRDOWNKUNH-OAHLLOKOSA-N 0 0 324.424 3.202 20 10 DGCDRN CCOc1ccc(O)c(C[NH2+][C@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC000840998529 630393340 /nfs/dbraw/zinc/39/33/40/630393340.db2.gz IGQLVUKNXMZIPO-CQSZACIVSA-N 0 0 309.406 3.160 20 10 DGCDRN C[C@H]1CN(Cc2cccc(F)c2O)c2cc(F)ccc2C[NH2+]1 ZINC000841046459 630401979 /nfs/dbraw/zinc/40/19/79/630401979.db2.gz BDLWHSVYOUSTSN-NSHDSACASA-N 0 0 304.340 3.169 20 10 DGCDRN C[C@@H](NC(=O)C1SCCCS1)c1ccc(N(C)C)cc1 ZINC000841187535 630414819 /nfs/dbraw/zinc/41/48/19/630414819.db2.gz XOWVLYDBHUCZRR-LLVKDONJSA-N 0 0 310.488 3.126 20 10 DGCDRN CCC1(CC)[C@H](NC(=O)Nc2ccc(N)cc2)[C@@H](C)[C@@H]1OC ZINC000841295578 630424075 /nfs/dbraw/zinc/42/40/75/630424075.db2.gz BVCYYYKCXICKHD-DFBGVHRSSA-N 0 0 305.422 3.230 20 10 DGCDRN CC[C@@H](C)Oc1cc(CNC(=O)Nc2ccc(N)cc2)ccn1 ZINC000841296597 630424089 /nfs/dbraw/zinc/42/40/89/630424089.db2.gz VYUSUTSOKZVVTJ-GFCCVEGCSA-N 0 0 314.389 3.163 20 10 DGCDRN CCO[C@@H]1C[C@H](NC(=O)Nc2ccc(N)cc2)C1(CC)CC ZINC000841299509 630424969 /nfs/dbraw/zinc/42/49/69/630424969.db2.gz IDGWAYPJFFXOFR-LSDHHAIUSA-N 0 0 305.422 3.374 20 10 DGCDRN CN(CCCCNC(=O)Nc1ccc(N)cc1)c1ccccc1 ZINC000841301481 630425353 /nfs/dbraw/zinc/42/53/53/630425353.db2.gz QXHVQIXUTIGEJD-UHFFFAOYSA-N 0 0 312.417 3.307 20 10 DGCDRN C[C@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@H](c2ccccc2)O1 ZINC000841301251 630425408 /nfs/dbraw/zinc/42/54/08/630425408.db2.gz HDQLFEVMUMDOSY-SUMWQHHRSA-N 0 0 311.385 3.263 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](CC(C)C)OC ZINC000841385086 630435198 /nfs/dbraw/zinc/43/51/98/630435198.db2.gz PEIRBVBIBFYYNG-KRWDZBQOSA-N 0 0 306.450 3.162 20 10 DGCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@@H](C)[C@H]1C ZINC000841580839 630446223 /nfs/dbraw/zinc/44/62/23/630446223.db2.gz LRUYVVRLWKMQER-PMPSAXMXSA-N 0 0 313.445 3.249 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H]2CCC[C@@H]2C(C)(C)C)c(O)c1 ZINC000841590488 630447030 /nfs/dbraw/zinc/44/70/30/630447030.db2.gz OTJUAUJXYRMVAW-LSDHHAIUSA-N 0 0 320.433 3.415 20 10 DGCDRN Nc1ccc(CCNC(=O)NC[C@H]2CCCc3ccccc32)cc1 ZINC000841708289 630457676 /nfs/dbraw/zinc/45/76/76/630457676.db2.gz JNFYXDOGTCTXLZ-QGZVFWFLSA-N 0 0 323.440 3.231 20 10 DGCDRN C[C@@H](CNC(=O)NCCc1ccc(N)cc1)c1ccc(F)cc1 ZINC000841739542 630461173 /nfs/dbraw/zinc/46/11/73/630461173.db2.gz HUIDFLGMTHBKPD-ZDUSSCGKSA-N 0 0 315.392 3.053 20 10 DGCDRN C[C@H]([NH2+]CCCOC[C@H]1CCOC1)c1ccc(Cl)cc1[O-] ZINC000841756415 630462882 /nfs/dbraw/zinc/46/28/82/630462882.db2.gz XSYCRAPKZVDKLH-QWHCGFSZSA-N 0 0 313.825 3.139 20 10 DGCDRN C[C@@H]([NH2+]CCCN1CCCCC1=O)c1ccc(Cl)cc1[O-] ZINC000841763957 630463265 /nfs/dbraw/zinc/46/32/65/630463265.db2.gz OPIMBRVHHTZHKJ-GFCCVEGCSA-N 0 0 310.825 3.099 20 10 DGCDRN COc1ccc(C[NH2+]C[C@]2(CC(=O)[O-])CC[C@H](C)C2)cc1C ZINC000841793933 630465094 /nfs/dbraw/zinc/46/50/94/630465094.db2.gz RRGSVDIHKNUPQC-SCLBCKFNSA-N 0 0 305.418 3.374 20 10 DGCDRN O=C([O-])CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841812650 630467260 /nfs/dbraw/zinc/46/72/60/630467260.db2.gz OTUGPZNBOKIHML-ZBFHGGJFSA-N 0 0 303.402 3.135 20 10 DGCDRN Nc1ccc(CCNC(=O)N(Cc2ccccc2)C2CC2)cc1 ZINC000841954231 630476429 /nfs/dbraw/zinc/47/64/29/630476429.db2.gz KFVUMGURUZLCLM-UHFFFAOYSA-N 0 0 309.413 3.186 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CC(C3CCCCC3)C2)cc1 ZINC000841955737 630476846 /nfs/dbraw/zinc/47/68/46/630476846.db2.gz LKYYQLZJUVFEJN-UHFFFAOYSA-N 0 0 301.434 3.033 20 10 DGCDRN Cc1ccccc1[C@@H]1CCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841956809 630476996 /nfs/dbraw/zinc/47/69/96/630476996.db2.gz JBUXRISHAFQWNG-QGZVFWFLSA-N 0 0 323.440 3.319 20 10 DGCDRN CCC[C@@]1(C)CCCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841958741 630477202 /nfs/dbraw/zinc/47/72/02/630477202.db2.gz SCRQJGHHEAJAKH-SFHVURJKSA-N 0 0 303.450 3.423 20 10 DGCDRN Nc1ccc(CCNC(=O)N(CC2CC2)CC2CCC2)cc1 ZINC000841957896 630477268 /nfs/dbraw/zinc/47/72/68/630477268.db2.gz FIGRLDIRQXQLKA-UHFFFAOYSA-N 0 0 301.434 3.033 20 10 DGCDRN C[C@H](c1ccc(F)cc1)N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841961204 630477301 /nfs/dbraw/zinc/47/73/01/630477301.db2.gz BQYMTBBOEGOAGH-CYBMUJFWSA-N 0 0 315.392 3.353 20 10 DGCDRN C[C@@H]1CC[C@]2(CCN(C(=O)NCCc3ccc(N)cc3)C2)C1 ZINC000841959005 630477329 /nfs/dbraw/zinc/47/73/29/630477329.db2.gz KECXVUGUOILCLR-KDOFPFPSSA-N 0 0 301.434 3.033 20 10 DGCDRN COc1ccc(N(CC(=O)N[C@H](C)C(C)C)C(C)C)cc1F ZINC000104682756 630507262 /nfs/dbraw/zinc/50/72/62/630507262.db2.gz PYCNMEGVQFMHCZ-CYBMUJFWSA-N 0 0 310.413 3.210 20 10 DGCDRN Oc1cc2c(cc1CN1CCc3sc(Cl)cc3C1)OCO2 ZINC000842616994 630553944 /nfs/dbraw/zinc/55/39/44/630553944.db2.gz DZMOHVYHENTKEQ-UHFFFAOYSA-N 0 0 323.801 3.394 20 10 DGCDRN CCCc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)s1 ZINC000867301801 630554773 /nfs/dbraw/zinc/55/47/73/630554773.db2.gz FEMYLIUSLZXTIY-LLVKDONJSA-N 0 0 319.426 3.473 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)C3(F)CCCC3)C2)cc1 ZINC000842875427 630588047 /nfs/dbraw/zinc/58/80/47/630588047.db2.gz LYZWWXQAUOYCRE-CQSZACIVSA-N 0 0 321.392 3.347 20 10 DGCDRN CC[C@@H]1C[C@H]1C(=O)OC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000842876441 630588143 /nfs/dbraw/zinc/58/81/43/630588143.db2.gz YKOKNHKTLSJDNV-CKEIUWERSA-N 0 0 303.402 3.111 20 10 DGCDRN C[C@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000842920536 630593604 /nfs/dbraw/zinc/59/36/04/630593604.db2.gz JCZSXNZVJRFTMB-GMXVVIOVSA-N 0 0 308.378 3.297 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000843123962 630615691 /nfs/dbraw/zinc/61/56/91/630615691.db2.gz SNTXPXPPBWCTEY-OAHLLOKOSA-N 0 0 315.244 3.275 20 10 DGCDRN [O-]c1c(Cl)cccc1CN1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000843118943 630615749 /nfs/dbraw/zinc/61/57/49/630615749.db2.gz QERPIERNZFPALP-MRXNPFEDSA-N 0 0 320.795 3.331 20 10 DGCDRN CCC[C@H]1C[C@@H](c2nc(Cc3ccc(N)cc3)no2)CCO1 ZINC000843158650 630622816 /nfs/dbraw/zinc/62/28/16/630622816.db2.gz FQDYTIZJRUKZKO-ZFWWWQNUSA-N 0 0 301.390 3.305 20 10 DGCDRN Nc1ccc(Cc2noc(-c3cc4c(cc3O)CCCC4)n2)cc1 ZINC000843158439 630622873 /nfs/dbraw/zinc/62/28/73/630622873.db2.gz CTCWTRXKPHTOQN-UHFFFAOYSA-N 0 0 321.380 3.494 20 10 DGCDRN CCOc1ccc(CCc2nc(Cc3ccc(N)cc3)no2)cc1 ZINC000843159486 630623503 /nfs/dbraw/zinc/62/35/03/630623503.db2.gz RAXMXEMZLZLUDJ-UHFFFAOYSA-N 0 0 323.396 3.427 20 10 DGCDRN CCCCCCN(C)Cc1nc(Cc2ccc(N)cc2)no1 ZINC000843159600 630623541 /nfs/dbraw/zinc/62/35/41/630623541.db2.gz BVURGQSKMJEHSW-UHFFFAOYSA-N 0 0 302.422 3.255 20 10 DGCDRN CCOc1ccc(NC(=S)NCc2ccc(C)cn2)cc1 ZINC000843282233 630641490 /nfs/dbraw/zinc/64/14/90/630641490.db2.gz XEWKFQLTNAWFEX-UHFFFAOYSA-N 0 0 301.415 3.275 20 10 DGCDRN C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@@H](CC(C)(C)C)C1=O ZINC000843309486 630644759 /nfs/dbraw/zinc/64/47/59/630644759.db2.gz ZIRHFNADRQJJKV-WFASDCNBSA-N 0 0 317.433 3.170 20 10 DGCDRN CCN(C(=O)Cc1ccc(N)cc1)[C@@H](C)Cc1ccsc1 ZINC000843499354 630663002 /nfs/dbraw/zinc/66/30/02/630663002.db2.gz NLTKAIHCRFIGDL-ZDUSSCGKSA-N 0 0 302.443 3.353 20 10 DGCDRN C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)Cc1ccc(N)cc1 ZINC000843495271 630663090 /nfs/dbraw/zinc/66/30/90/630663090.db2.gz QDJCZNJKMWVYIN-QWHCGFSZSA-N 0 0 312.388 3.485 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)C2(C(F)F)CC2)C2CC2)cc1 ZINC000843526966 630666296 /nfs/dbraw/zinc/66/62/96/630666296.db2.gz KGDFADKZTOWWTO-UHFFFAOYSA-N 0 0 308.372 3.289 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1(C(F)F)CC1 ZINC000843607304 630678381 /nfs/dbraw/zinc/67/83/81/630678381.db2.gz YYZWKIULCCGVEN-GFCCVEGCSA-N 0 0 310.388 3.154 20 10 DGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C1(F)CC1 ZINC000843819714 630701571 /nfs/dbraw/zinc/70/15/71/630701571.db2.gz GEIWMSCCVLWDKX-UHFFFAOYSA-N 0 0 316.170 3.005 20 10 DGCDRN CC1=C(C)C[C@H](C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CC1 ZINC000843851875 630701967 /nfs/dbraw/zinc/70/19/67/630701967.db2.gz SLFIXYFDODRJIP-UKRRQHHQSA-N 0 0 303.402 3.282 20 10 DGCDRN CCCC(C)(C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000844283101 630715718 /nfs/dbraw/zinc/71/57/18/630715718.db2.gz ZGBHEJXDJKNZTM-UHFFFAOYSA-N 0 0 304.434 3.170 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]C[C@@H](CC2CC2)C(=O)[O-])cc1 ZINC000844291824 630716130 /nfs/dbraw/zinc/71/61/30/630716130.db2.gz ZKGUVMCZDTYRGQ-MRXNPFEDSA-N 0 0 304.434 3.123 20 10 DGCDRN CC(C)Oc1ccnc(CN(C)c2ccc3c(c2)OCO3)c1 ZINC000844309399 630717742 /nfs/dbraw/zinc/71/77/42/630717742.db2.gz LKPQNBLTEIILLE-UHFFFAOYSA-N 0 0 300.358 3.234 20 10 DGCDRN COc1ccc(N(C)CC(=O)N(C)Cc2ccccc2C)cc1 ZINC000844353765 630720648 /nfs/dbraw/zinc/72/06/48/630720648.db2.gz ZSJKJUVRNZQDTA-UHFFFAOYSA-N 0 0 312.413 3.098 20 10 DGCDRN COc1ccc(N(C)CC(=O)N[C@H](C)c2cccs2)cc1 ZINC000844353259 630720685 /nfs/dbraw/zinc/72/06/85/630720685.db2.gz JLMCMPFRNJVDCW-GFCCVEGCSA-N 0 0 304.415 3.070 20 10 DGCDRN COc1ccc(N(C)CC(=O)N(Cc2ccccc2)C2CC2)cc1 ZINC000844353272 630720795 /nfs/dbraw/zinc/72/07/95/630720795.db2.gz KADZVSZBTZUDAT-UHFFFAOYSA-N 0 0 324.424 3.323 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(F)nc1F ZINC000844683948 630774641 /nfs/dbraw/zinc/77/46/41/630774641.db2.gz ZFHOKBHMIHELRE-UHFFFAOYSA-N 0 0 320.343 3.056 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000844855880 630945296 /nfs/dbraw/zinc/94/52/96/630945296.db2.gz CECPOLPHKJHBMP-BZUAXINKSA-N 0 0 316.445 3.026 20 10 DGCDRN C[C@H](Cc1ccco1)NC(=O)NCc1cc(Cl)ccc1O ZINC000844882907 630963179 /nfs/dbraw/zinc/96/31/79/630963179.db2.gz UOAPHVWTTMTBJJ-SNVBAGLBSA-N 0 0 308.765 3.069 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCC23CCCC3)cc1F ZINC000844934659 630991323 /nfs/dbraw/zinc/99/13/23/630991323.db2.gz PYCTVPTXIAZXIT-UHFFFAOYSA-N 0 0 305.397 3.120 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC(F)(F)C1 ZINC000844990067 631026637 /nfs/dbraw/zinc/02/66/37/631026637.db2.gz KWGPZOBDJWIONX-UHFFFAOYSA-N 0 0 311.376 3.002 20 10 DGCDRN CS[C@H]1CC[C@H](NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000845011607 631032978 /nfs/dbraw/zinc/03/29/78/631032978.db2.gz DWCOECUOSWYSIA-RYUDHWBXSA-N 0 0 314.838 3.129 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCC(F)(F)C1 ZINC000845064301 631063061 /nfs/dbraw/zinc/06/30/61/631063061.db2.gz HBXJQTMNZLWBDA-SNVBAGLBSA-N 0 0 304.724 3.033 20 10 DGCDRN CCc1cnccc1CNC(=O)NCc1cc(Cl)ccc1O ZINC000845095826 631071348 /nfs/dbraw/zinc/07/13/48/631071348.db2.gz FZTDFTRDHKOBNX-UHFFFAOYSA-N 0 0 319.792 3.002 20 10 DGCDRN COC/C(C)=C/C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000845116053 631081656 /nfs/dbraw/zinc/08/16/56/631081656.db2.gz BWJNLUGRPLGKPJ-DTQAZKPQSA-N 0 0 316.445 3.228 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC[C@@H](F)C1 ZINC000845261150 631156875 /nfs/dbraw/zinc/15/68/75/631156875.db2.gz ICKFIYDVQWSEMQ-GDBMZVCRSA-N 0 0 321.440 3.136 20 10 DGCDRN CCn1c(C)nc([N+](=O)[O-])c1NCc1cc(Cl)ccc1O ZINC000845706776 631190324 /nfs/dbraw/zinc/19/03/24/631190324.db2.gz CDBGEAHOZNEJCR-UHFFFAOYSA-N 0 0 310.741 3.091 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC2CC3(CCC3)C2)c1 ZINC000845723130 631191301 /nfs/dbraw/zinc/19/13/01/631191301.db2.gz APEFLLDEXPAKML-NSHDSACASA-N 0 0 304.390 3.094 20 10 DGCDRN C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@](C)(O)c1ccccc1 ZINC000846039443 631207598 /nfs/dbraw/zinc/20/75/98/631207598.db2.gz SUFCXKTYRVIKFJ-PXAZEXFGSA-N 0 0 305.805 3.431 20 10 DGCDRN CO[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000846055490 631208547 /nfs/dbraw/zinc/20/85/47/631208547.db2.gz GNELQGSZQSIQSZ-CHWSQXEVSA-N 0 0 314.223 3.202 20 10 DGCDRN CCOc1cccc(C[N@H+](Cc2cnn(CC)c2)C(C)C)c1O ZINC000846056749 631208594 /nfs/dbraw/zinc/20/85/94/631208594.db2.gz ZHZFXVFPLMVANA-UHFFFAOYSA-N 0 0 317.433 3.418 20 10 DGCDRN C[C@H](CO)C1CC[NH+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000846059083 631208984 /nfs/dbraw/zinc/20/89/84/631208984.db2.gz XSTCULYFQCPRIU-SNVBAGLBSA-N 0 0 301.789 3.025 20 10 DGCDRN CCc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000846100113 631209393 /nfs/dbraw/zinc/20/93/93/631209393.db2.gz HVODWUMYKAQCPP-UHFFFAOYSA-N 0 0 316.357 3.161 20 10 DGCDRN COc1cccc([C@@H](C)N[C@H](CO)c2c(F)cccc2F)c1O ZINC000846151698 631212295 /nfs/dbraw/zinc/21/22/95/631212295.db2.gz DWNKRUIXENPILP-QMTHXVAHSA-N 0 0 323.339 3.063 20 10 DGCDRN Cc1c(C(=O)NCc2cc(Cl)ccc2O)cnn1C(C)C ZINC000846474008 631249494 /nfs/dbraw/zinc/24/94/94/631249494.db2.gz QBVIKNBWZGPWDY-UHFFFAOYSA-N 0 0 307.781 3.061 20 10 DGCDRN CC[C@H](C(=O)NCc1cc(Cl)ccc1O)c1c(C)noc1C ZINC000846472498 631249754 /nfs/dbraw/zinc/24/97/54/631249754.db2.gz KUOHQSGBQNKPOO-ZDUSSCGKSA-N 0 0 322.792 3.460 20 10 DGCDRN Cn1cc(CCC(=O)NCCc2ccc(N)cc2)c2ccccc21 ZINC000846665530 631282120 /nfs/dbraw/zinc/28/21/20/631282120.db2.gz LWDKNBADNZCZFN-UHFFFAOYSA-N 0 0 321.424 3.052 20 10 DGCDRN Nc1ccc(Cc2nc(C(=O)N[C@@H]3CC=CCC3)cs2)cc1 ZINC000846685124 631285162 /nfs/dbraw/zinc/28/51/62/631285162.db2.gz ZMQATZPBWBPMHJ-CQSZACIVSA-N 0 0 313.426 3.155 20 10 DGCDRN C[C@H](CC(F)(F)F)NC(=O)NCc1cc(Cl)ccc1O ZINC000846713084 631290735 /nfs/dbraw/zinc/29/07/35/631290735.db2.gz DIZPLNJSYINISU-SSDOTTSWSA-N 0 0 310.703 3.186 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccc(OC)o2)cc1 ZINC000846790561 631307369 /nfs/dbraw/zinc/30/73/69/631307369.db2.gz VBHPSYXCRXTMSI-UHFFFAOYSA-N 0 0 316.401 3.407 20 10 DGCDRN C/C(=C/c1ccco1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000846842739 631325155 /nfs/dbraw/zinc/32/51/55/631325155.db2.gz JHRXWYZTZYEWII-KAMYIIQDSA-N 0 0 310.397 3.382 20 10 DGCDRN CC[C@@H](C)NC(=O)CN(C)c1ccc(-c2nccs2)cc1 ZINC000846991970 631375722 /nfs/dbraw/zinc/37/57/22/631375722.db2.gz MKSLWUINBWDUAT-GFCCVEGCSA-N 0 0 303.431 3.161 20 10 DGCDRN CN(CC(=O)N1CCCCC1)c1ccc(-c2nccs2)cc1 ZINC000846995185 631376580 /nfs/dbraw/zinc/37/65/80/631376580.db2.gz YOUOPKLWRVOUFA-UHFFFAOYSA-N 0 0 315.442 3.259 20 10 DGCDRN CCN(Cc1cc(Cl)cc(C(C)=O)c1O)c1cnn(C)c1 ZINC000847078827 631399053 /nfs/dbraw/zinc/39/90/53/631399053.db2.gz UOGMIJSBHBUWDB-UHFFFAOYSA-N 0 0 307.781 3.008 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(C(C)=O)cs2)c1 ZINC000106917595 631482814 /nfs/dbraw/zinc/48/28/14/631482814.db2.gz BNAANBLKILZINK-VIFPVBQESA-N 0 0 319.382 3.156 20 10 DGCDRN CCO[C@H]1C[C@H](OC(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000847919389 631575043 /nfs/dbraw/zinc/57/50/43/631575043.db2.gz VBVSJRSWRXUDBT-SHTZXODSSA-N 0 0 314.385 3.213 20 10 DGCDRN C[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)c1ccccn1 ZINC000848225241 631629721 /nfs/dbraw/zinc/62/97/21/631629721.db2.gz FIBAHRAUOBPOAW-MRXNPFEDSA-N 0 0 323.440 3.492 20 10 DGCDRN COc1ccc(C[NH2+][C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1C ZINC000848639362 631714587 /nfs/dbraw/zinc/71/45/87/631714587.db2.gz IRHWMYUUUUEVIZ-AEGPPILISA-N 0 0 305.418 3.229 20 10 DGCDRN CCc1cccc(CNc2ccc3c(c2)NC(=O)[C@H](C)O3)c1O ZINC000848895407 631776581 /nfs/dbraw/zinc/77/65/81/631776581.db2.gz UFGYCWDYRKYTLQ-NSHDSACASA-N 0 0 312.369 3.286 20 10 DGCDRN CCc1cccc(CNCc2nnc(C(C)(C)C)s2)c1O ZINC000848898058 631777399 /nfs/dbraw/zinc/77/73/99/631777399.db2.gz PKJSDYJSKALPSJ-UHFFFAOYSA-N 0 0 305.447 3.393 20 10 DGCDRN CCc1cccc(CNCc2csc([C@H](C)OC)n2)c1O ZINC000848898263 631778020 /nfs/dbraw/zinc/77/80/20/631778020.db2.gz RQKBFTFFAVOBLT-NSHDSACASA-N 0 0 306.431 3.408 20 10 DGCDRN CCc1cccc(CNc2ccccc2C[S@@](C)=O)c1O ZINC000848903266 631780818 /nfs/dbraw/zinc/78/08/18/631780818.db2.gz OWKPNQNHUYIWPW-OAQYLSRUSA-N 0 0 303.427 3.445 20 10 DGCDRN CCOC(=O)c1cc(NCc2cccc(CC)c2O)cn1C ZINC000848912654 631784358 /nfs/dbraw/zinc/78/43/58/631784358.db2.gz VHEWVMGYVYQZGM-UHFFFAOYSA-N 0 0 302.374 3.082 20 10 DGCDRN COc1ccc2c(c1)CCCCN2Cc1cnc(Cl)n1C ZINC000848913490 631785433 /nfs/dbraw/zinc/78/54/33/631785433.db2.gz YJAXBNCHHCDHER-UHFFFAOYSA-N 0 0 305.809 3.425 20 10 DGCDRN Cn1c(-c2ccccc2)cnc1SCC1(O)CCSCC1 ZINC000849325094 631891828 /nfs/dbraw/zinc/89/18/28/631891828.db2.gz VMYNIGMCBRZFSH-UHFFFAOYSA-N 0 0 320.483 3.437 20 10 DGCDRN CN(C)c1ccc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)cc1 ZINC000849345341 631897802 /nfs/dbraw/zinc/89/78/02/631897802.db2.gz IHLXAIVZGHICMP-BZSNNMDCSA-N 0 0 316.445 3.218 20 10 DGCDRN C[C@@H]1CCCC[C@@H]1NC(=S)NCc1ccc(N(C)C)cc1 ZINC000007371682 632119293 /nfs/dbraw/zinc/11/92/93/632119293.db2.gz CRPPDGSYRFUSBI-CJNGLKHVSA-N 0 0 305.491 3.295 20 10 DGCDRN COc1ccc(CN[C@@H](CO)c2ccc(F)cc2F)cc1C ZINC000850410413 632143599 /nfs/dbraw/zinc/14/35/99/632143599.db2.gz MEIYXWBPUHIGOM-INIZCTEOSA-N 0 0 307.340 3.105 20 10 DGCDRN C[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccn1 ZINC000850482604 632166234 /nfs/dbraw/zinc/16/62/34/632166234.db2.gz QCFDOMTVMPZLFH-RYUDHWBXSA-N 0 0 301.346 3.150 20 10 DGCDRN COC[C@H](CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])OC ZINC000850485684 632167660 /nfs/dbraw/zinc/16/76/60/632167660.db2.gz MNCKLVRUPSKNPN-QWRGUYRKSA-N 0 0 321.339 3.113 20 10 DGCDRN C[C@@H]([NH2+][C@H](CO)C1CCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000850487707 632167748 /nfs/dbraw/zinc/16/77/48/632167748.db2.gz JLANVXBDGOFBPX-NOZJJQNGSA-N 0 0 303.324 3.223 20 10 DGCDRN CC[C@@H]([NH2+]CC[C@@H](COC)OC)c1cccc(Cl)c1[O-] ZINC000850487259 632167912 /nfs/dbraw/zinc/16/79/12/632167912.db2.gz YNBNVKRTBHMLTJ-SMDDNHRTSA-N 0 0 301.814 3.138 20 10 DGCDRN Cc1cc(Cl)cc([C@H](C)N[C@@H]2C[C@@H](C)n3ncnc32)c1O ZINC000850499202 632172516 /nfs/dbraw/zinc/17/25/16/632172516.db2.gz LFQTULAYMMKGOZ-GBIKHYSHSA-N 0 0 306.797 3.302 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850544610 632188447 /nfs/dbraw/zinc/18/84/47/632188447.db2.gz YSLZWTUQKILWHL-QLJPJBMISA-N 0 0 314.341 3.344 20 10 DGCDRN C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)c1cccc(C(F)(F)F)c1[O-] ZINC000850547240 632188980 /nfs/dbraw/zinc/18/89/80/632188980.db2.gz SHMIKZJNZNUJAD-BIMULSAOSA-N 0 0 315.335 3.365 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(F)cc1[O-] ZINC000850553885 632190892 /nfs/dbraw/zinc/19/08/92/632190892.db2.gz ALMHKVAQDNCQKW-SWLSCSKDSA-N 0 0 322.424 3.219 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CCC[C@H](C3CCC3)C2)cc1 ZINC000851664598 632467987 /nfs/dbraw/zinc/46/79/87/632467987.db2.gz GNWGKJIBXDAFCF-INIZCTEOSA-N 0 0 301.434 3.033 20 10 DGCDRN COc1ccc(N(CC(C)C)C[C@H](OC)[C@H]2CCOC2)cc1 ZINC000851829500 632504578 /nfs/dbraw/zinc/50/45/78/632504578.db2.gz IFNSNMAHWQQCSH-YJBOKZPZSA-N 0 0 307.434 3.209 20 10 DGCDRN COc1cc(CN2CCCc3cc(OC(F)F)ccc32)on1 ZINC000851824833 632505014 /nfs/dbraw/zinc/50/50/14/632505014.db2.gz MYDMDJSYLKVTCV-UHFFFAOYSA-N 0 0 310.300 3.237 20 10 DGCDRN COc1ccc(N(C[C@H](OC)[C@H]2CCOC2)C(C)C)cc1F ZINC000851835668 632505942 /nfs/dbraw/zinc/50/59/42/632505942.db2.gz DGEDLVHHFGOVGI-GUYCJALGSA-N 0 0 311.397 3.101 20 10 DGCDRN CC(C)c1nccc(NCc2ccc(N3CCOCC3)cc2)n1 ZINC000110266737 632512155 /nfs/dbraw/zinc/51/21/55/632512155.db2.gz PIGOCDLEBLSFEO-UHFFFAOYSA-N 0 0 312.417 3.049 20 10 DGCDRN CN(C[C@@H]1COC(C)(C)O1)c1ccc(-c2nccs2)cc1 ZINC000852167090 632566827 /nfs/dbraw/zinc/56/68/27/632566827.db2.gz WLSXMLSDWPFJGI-CQSZACIVSA-N 0 0 304.415 3.398 20 10 DGCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2CCC(OC)OC ZINC000852186578 632568838 /nfs/dbraw/zinc/56/88/38/632568838.db2.gz FTWUEDIMQPJIPF-HNNXBMFYSA-N 0 0 307.434 3.339 20 10 DGCDRN C[C@@H](NC(=O)N(C)CC1=CCSC1)c1ccc(N(C)C)cc1 ZINC000852262095 632578098 /nfs/dbraw/zinc/57/80/98/632578098.db2.gz YSJNHBNJFHJSEI-CYBMUJFWSA-N 0 0 319.474 3.128 20 10 DGCDRN CC[C@H](C)CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852450673 632605608 /nfs/dbraw/zinc/60/56/08/632605608.db2.gz RFXDPVWDQIWCCD-GJZGRUSLSA-N 0 0 319.449 3.009 20 10 DGCDRN CC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000185020856 660199068 /nfs/dbraw/zinc/19/90/68/660199068.db2.gz UQPHRLNAQBKULM-NSHDSACASA-N 0 0 302.349 3.341 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3ccc(Cl)nc3)ccc21 ZINC000058768550 659106111 /nfs/dbraw/zinc/10/61/11/659106111.db2.gz YVJDILDXMLXGOE-UHFFFAOYSA-N 0 0 315.804 3.047 20 10 DGCDRN CCc1ccc([C@H]2COCCN2Cc2cc(F)ccc2O)o1 ZINC000180166264 659953784 /nfs/dbraw/zinc/95/37/84/659953784.db2.gz AZIGTJSNOCLSOG-OAHLLOKOSA-N 0 0 305.349 3.260 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1 ZINC000186211684 660342407 /nfs/dbraw/zinc/34/24/07/660342407.db2.gz UVPMVIQJSLLUAB-MBNYWOFBSA-N 0 0 306.406 3.025 20 10 DGCDRN Cc1ncsc1/C=C/C(=O)N1CCN(C)c2ccc(F)cc21 ZINC000186596161 660552172 /nfs/dbraw/zinc/55/21/72/660552172.db2.gz BZMAYAXOIKCYMZ-AATRIKPKSA-N 0 0 317.389 3.087 20 10 DGCDRN C[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(OC(F)F)cc1 ZINC000186878851 660579348 /nfs/dbraw/zinc/57/93/48/660579348.db2.gz PRJSMOMPDZHQOU-SECBINFHSA-N 0 0 323.295 3.190 20 10 DGCDRN O=C(N[C@@H]1CCSc2c(F)cccc21)c1cccc(O)c1O ZINC000186923685 660587426 /nfs/dbraw/zinc/58/74/26/660587426.db2.gz WPFMEUJYBKVVNM-GFCCVEGCSA-N 0 0 319.357 3.204 20 10 DGCDRN CC[C@]1(C)COCCN1Cc1ccc(Br)cc1O ZINC000707691504 660916751 /nfs/dbraw/zinc/91/67/51/660916751.db2.gz QZUWPTHICNYMIQ-CQSZACIVSA-N 0 0 314.223 3.156 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCSCC(F)(F)F ZINC000708501724 660924179 /nfs/dbraw/zinc/92/41/79/660924179.db2.gz IDHBEWMRSKPHCA-UHFFFAOYSA-N 0 0 301.280 3.056 20 10 DGCDRN Cc1ccc(OCC(=O)NCCCSc2nccs2)cc1 ZINC000074135865 660946691 /nfs/dbraw/zinc/94/66/91/660946691.db2.gz YTWOFOZZBOAWKE-UHFFFAOYSA-N 0 0 322.455 3.129 20 10 DGCDRN C[C@H](CNC(=O)c1cccc(O)c1O)Sc1ccccc1 ZINC000187142787 660957629 /nfs/dbraw/zinc/95/76/29/660957629.db2.gz UYRHUVOQNLEZNH-LLVKDONJSA-N 0 0 303.383 3.008 20 10 DGCDRN C[C@@H]1CC[C@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000792956778 660997070 /nfs/dbraw/zinc/99/70/70/660997070.db2.gz MJYHESWQYOXRBS-WBVHZDCISA-N 0 0 313.445 3.298 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(F)(F)CC1 ZINC000793022975 661000734 /nfs/dbraw/zinc/00/07/34/661000734.db2.gz BBBFUSZCXPWIQL-UHFFFAOYSA-N 0 0 311.376 3.002 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CC[C@H](C)C1 ZINC000793023992 661000919 /nfs/dbraw/zinc/00/09/19/661000919.db2.gz IIXYKNCKLWMBBP-ZFWWWQNUSA-N 0 0 303.450 3.296 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)c(O)c1 ZINC000793058792 661002622 /nfs/dbraw/zinc/00/26/22/661002622.db2.gz MNFKUSGXNPNMQA-VNHYZAJKSA-N 0 0 318.417 3.169 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)c(O)c1 ZINC000793151282 661007630 /nfs/dbraw/zinc/00/76/30/661007630.db2.gz UKFLCEWPKKVXKA-MBNYWOFBSA-N 0 0 306.406 3.025 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CC[C@H](C)C2)c1 ZINC000793274336 661019753 /nfs/dbraw/zinc/01/97/53/661019753.db2.gz SRRLLBILXMVIEZ-RWMBFGLXSA-N 0 0 306.406 3.197 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCc1cccnc1F ZINC000793305815 661023310 /nfs/dbraw/zinc/02/33/10/661023310.db2.gz XTFIBAHGHXRLLP-UHFFFAOYSA-N 0 0 317.364 3.048 20 10 DGCDRN CN(C)C(=O)c1ccc(NCc2cc(Cl)cc(F)c2O)cc1 ZINC000793592038 661048296 /nfs/dbraw/zinc/04/82/96/661048296.db2.gz IOXSEEGCVCNOGT-UHFFFAOYSA-N 0 0 322.767 3.499 20 10 DGCDRN CSCCONC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000794196169 661071832 /nfs/dbraw/zinc/07/18/32/661071832.db2.gz UPGDAUKGLZNNRY-UHFFFAOYSA-N 0 0 318.442 3.427 20 10 DGCDRN COc1ccc(CNC(=O)/C=C/c2ccc(Cl)s2)c(O)c1 ZINC000794378053 661081832 /nfs/dbraw/zinc/08/18/32/661081832.db2.gz XBNDJAOCWJFMEF-FNORWQNLSA-N 0 0 323.801 3.445 20 10 DGCDRN COc1ccc(CNC(=O)c2cc(C)cc(Cl)c2)c(O)c1 ZINC000794377422 661081912 /nfs/dbraw/zinc/08/19/12/661081912.db2.gz NXLWKEUBPHNRPI-UHFFFAOYSA-N 0 0 305.761 3.293 20 10 DGCDRN COc1ccc(CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)c(O)c1 ZINC000794391309 661082673 /nfs/dbraw/zinc/08/26/73/661082673.db2.gz VXTGUWVCGLPESD-HDJSIYSDSA-N 0 0 305.418 3.479 20 10 DGCDRN CCc1nc(C)c(CN2CCOc3cc(N(C)C)ccc32)o1 ZINC000794451261 661085267 /nfs/dbraw/zinc/08/52/67/661085267.db2.gz XEPXIVJOMYMBKG-UHFFFAOYSA-N 0 0 301.390 3.010 20 10 DGCDRN COc1ccc(CNC(=O)Nc2ccc(C)cc2C)c(O)c1 ZINC000794760312 661104380 /nfs/dbraw/zinc/10/43/80/661104380.db2.gz NJFNNLXFGIDMPD-UHFFFAOYSA-N 0 0 300.358 3.339 20 10 DGCDRN COc1ccc(CNC(=O)Nc2cc(F)cc(F)c2)c(O)c1 ZINC000794760252 661104406 /nfs/dbraw/zinc/10/44/06/661104406.db2.gz LHNLKBOCGIASPX-UHFFFAOYSA-N 0 0 308.284 3.001 20 10 DGCDRN CCc1cccc(NC(=S)NCc2ccc(OC)cc2O)c1 ZINC000795032452 661122794 /nfs/dbraw/zinc/12/27/94/661122794.db2.gz SQILGTQYWSHZGK-UHFFFAOYSA-N 0 0 316.426 3.450 20 10 DGCDRN Cc1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)cn1 ZINC000795331017 661140861 /nfs/dbraw/zinc/14/08/61/661140861.db2.gz PNHAJXMOULGOOA-UHFFFAOYSA-N 0 0 320.414 3.328 20 10 DGCDRN CC[C@@H]1C[N@H+](Cc2cccc(Br)c2[O-])CCCO1 ZINC000305961581 655572454 /nfs/dbraw/zinc/57/24/54/655572454.db2.gz PBSHMNPLLZSHCA-GFCCVEGCSA-N 0 0 314.223 3.156 20 10 DGCDRN COc1ccc2oc(/C=C3/SC(=S)N(C)C3=O)cc2c1 ZINC000160305568 655601757 /nfs/dbraw/zinc/60/17/57/655601757.db2.gz LOINEYSXJFVBDH-KPKJPENVSA-N 0 0 305.380 3.272 20 10 DGCDRN CNC(=O)c1ccc(NCc2cc(Cl)cc(OC)c2O)cc1 ZINC000317327490 655613928 /nfs/dbraw/zinc/61/39/28/655613928.db2.gz DJXRURSVNXLMHR-UHFFFAOYSA-N 0 0 320.776 3.026 20 10 DGCDRN COc1cc(CN2CCCC[C@H]2c2cc[nH]n2)c(O)cc1C ZINC000795664479 661166319 /nfs/dbraw/zinc/16/63/19/661166319.db2.gz ANLCQGQFRKHXAD-HNNXBMFYSA-N 0 0 301.390 3.160 20 10 DGCDRN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)c(F)cc1F ZINC000175924878 655635412 /nfs/dbraw/zinc/63/54/12/655635412.db2.gz WFCOELXMRGGFTO-UHFFFAOYSA-N 0 0 304.340 3.269 20 10 DGCDRN C[C@H]([NH2+]Cc1cncn1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000289655119 655647470 /nfs/dbraw/zinc/64/74/70/655647470.db2.gz GKQORMIUTKBXJU-AWEZNQCLSA-N 0 0 316.424 3.400 20 10 DGCDRN Oc1cccc(Cl)c1CNc1cn(Cc2ccccc2)nn1 ZINC000795805669 661173699 /nfs/dbraw/zinc/17/36/99/661173699.db2.gz KDSXOSWJRSYXIU-UHFFFAOYSA-N 0 0 314.776 3.298 20 10 DGCDRN Cc1cc(O)c(CN2CCN([C@H](C)C(F)(F)F)CC2)cc1C ZINC000176068468 655731082 /nfs/dbraw/zinc/73/10/82/655731082.db2.gz LARQRAXNVMMICU-CYBMUJFWSA-N 0 0 316.367 3.077 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H]1CCCC1(F)F ZINC000933816248 655734767 /nfs/dbraw/zinc/73/47/67/655734767.db2.gz VRYXGYNQROCVHW-LBPRGKRZSA-N 0 0 324.371 3.304 20 10 DGCDRN C[C@@H](NC(=O)Nc1cnn(C2CCC2)c1)c1ccccc1O ZINC000934299725 655765549 /nfs/dbraw/zinc/76/55/49/655765549.db2.gz ISFKAYJYJXFOJI-LLVKDONJSA-N 0 0 300.362 3.196 20 10 DGCDRN C[C@H](NC(=O)Nc1ccnn1C1CC1)c1ccc(N(C)C)cc1 ZINC000934525709 655783783 /nfs/dbraw/zinc/78/37/83/655783783.db2.gz BVNDCAAYSXBYBB-LBPRGKRZSA-N 0 0 313.405 3.167 20 10 DGCDRN COc1ccc(N(C)Cc2cccc([N+](=O)[O-])c2)cc1OC ZINC000063616863 655859714 /nfs/dbraw/zinc/85/97/14/655859714.db2.gz WUITUKPLYWQPKE-UHFFFAOYSA-N 0 0 302.330 3.248 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C2(Cc3ccccc3)CC2)cc1 ZINC000176885422 655861961 /nfs/dbraw/zinc/86/19/61/655861961.db2.gz HTAVOWJJPFEHAY-UHFFFAOYSA-N 0 0 308.425 3.392 20 10 DGCDRN CC[C@@H](CO)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000188275145 655890919 /nfs/dbraw/zinc/89/09/19/655890919.db2.gz JKNLWQZODATVFZ-AWEZNQCLSA-N 0 0 320.820 3.248 20 10 DGCDRN O=C(/C=C\c1ccc(Cl)nc1)N1CCOc2cc(F)ccc21 ZINC000255846075 655911521 /nfs/dbraw/zinc/91/15/21/655911521.db2.gz QJAOZYYKAFUQMJ-KXFIGUGUSA-N 0 0 318.735 3.313 20 10 DGCDRN C[C@@H]1CC[C@@H](C)N1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000177262121 655918520 /nfs/dbraw/zinc/91/85/20/655918520.db2.gz QGQYUNBEZFKKMB-HUUCEWRRSA-N 0 0 301.434 3.369 20 10 DGCDRN Cn1cncc1CN1CCCc2cc(OC(F)(F)F)ccc21 ZINC000177254178 655918633 /nfs/dbraw/zinc/91/86/33/655918633.db2.gz XWRWMXKKXXFMNU-UHFFFAOYSA-N 0 0 311.307 3.272 20 10 DGCDRN CCn1c2ccccc2nc1NC(=O)c1ccc(C)c(O)c1O ZINC000177666369 655938723 /nfs/dbraw/zinc/93/87/23/655938723.db2.gz OSCMRYWGXABUGQ-UHFFFAOYSA-N 0 0 311.341 3.028 20 10 DGCDRN C[C@@H]1C[C@H](C)CN(C(=O)COc2ccc(N3CCCC3)cc2)C1 ZINC000178194485 655959342 /nfs/dbraw/zinc/95/93/42/655959342.db2.gz BJCYHLKVKVCCON-IYBDPMFKSA-N 0 0 316.445 3.170 20 10 DGCDRN CC[C@@H](CSC)[NH2+]Cc1cccc(Br)c1[O-] ZINC000162160402 655965437 /nfs/dbraw/zinc/96/54/37/655965437.db2.gz NXGMQAKCDFWVRV-JTQLQIEISA-N 0 0 304.253 3.386 20 10 DGCDRN COc1ccc(N2CCCN(Cc3ncc(C)s3)CC2)cc1 ZINC000180442256 655965725 /nfs/dbraw/zinc/96/57/25/655965725.db2.gz KLDSVLILTKSDJQ-UHFFFAOYSA-N 0 0 317.458 3.172 20 10 DGCDRN C[C@@H]1SCC[C@@H]1[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715790711 661214448 /nfs/dbraw/zinc/21/44/48/661214448.db2.gz CPEDUIZJLADCJG-CPCISQLKSA-N 0 0 320.227 3.277 20 10 DGCDRN NC(=O)CSc1ccccc1NCc1cc(Cl)ccc1O ZINC000037071920 661214560 /nfs/dbraw/zinc/21/45/60/661214560.db2.gz XEDVOECKFSKTML-UHFFFAOYSA-N 0 0 322.817 3.235 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1CCN1Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000716177299 661219511 /nfs/dbraw/zinc/21/95/11/661219511.db2.gz MYURXIFNKRWCPQ-RHSMWYFYSA-N 0 0 314.404 3.456 20 10 DGCDRN CN(C)c1ccc(CNc2nnc(-c3cccs3)o2)cc1 ZINC000186010369 656130181 /nfs/dbraw/zinc/13/01/81/656130181.db2.gz PIHRROPWMPBDRP-UHFFFAOYSA-N 0 0 300.387 3.476 20 10 DGCDRN CC[N@H+](CCC(=O)OC)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000092380129 656137419 /nfs/dbraw/zinc/13/74/19/656137419.db2.gz PYCZNQFLFLAGQQ-UHFFFAOYSA-N 0 0 306.189 3.084 20 10 DGCDRN Cc1cc(C)c(O)c(CN2CCn3c(C(C)C)nnc3[C@H]2C)c1 ZINC000190226666 656159415 /nfs/dbraw/zinc/15/94/15/656159415.db2.gz HWGMAGDSWPHKQI-CQSZACIVSA-N 0 0 314.433 3.301 20 10 DGCDRN Cc1ccccc1C[C@H](CO)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000191573351 656170693 /nfs/dbraw/zinc/17/06/93/656170693.db2.gz ZHBRARDJTKXZJG-CZUORRHYSA-N 0 0 303.377 3.094 20 10 DGCDRN CNC(=O)c1ccc(CN(C)c2ccc(OC(C)C)cc2)cc1 ZINC000191579662 656170794 /nfs/dbraw/zinc/17/07/94/656170794.db2.gz UCNUOYQKXRBARL-UHFFFAOYSA-N 0 0 312.413 3.470 20 10 DGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1ccco1 ZINC000075416820 656197469 /nfs/dbraw/zinc/19/74/69/656197469.db2.gz JWFUEDSYKCQUNO-UHFFFAOYSA-N 0 0 324.174 3.410 20 10 DGCDRN C[C@@H](Cc1cccs1)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000027351037 656270464 /nfs/dbraw/zinc/27/04/64/656270464.db2.gz JEBRWNFYOGYAFM-ZDUSSCGKSA-N 0 0 317.458 3.245 20 10 DGCDRN C[C@H](Cc1cccs1)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000027351042 656270517 /nfs/dbraw/zinc/27/05/17/656270517.db2.gz JEBRWNFYOGYAFM-CYBMUJFWSA-N 0 0 317.458 3.245 20 10 DGCDRN O=C(NCc1ccc(C(F)(F)F)cc1)c1cccc(O)c1O ZINC000184772895 656425575 /nfs/dbraw/zinc/42/55/75/656425575.db2.gz JVGJRBALDBMFHT-UHFFFAOYSA-N 0 0 311.259 3.047 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cc(-c2ccccc2)no1 ZINC000053916206 656454249 /nfs/dbraw/zinc/45/42/49/656454249.db2.gz PCUVCVKYSGBBOS-UHFFFAOYSA-N 0 0 308.337 3.319 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CCN1C(=O)OC(C)(C)C)c1ccc(F)cc1[O-] ZINC000724927925 656530663 /nfs/dbraw/zinc/53/06/63/656530663.db2.gz YHOJPXKCGLTMBD-AAEUAGOBSA-N 0 0 324.396 3.191 20 10 DGCDRN CCCn1cc(NCc2ccc(Br)cc2O)cn1 ZINC000722377374 656616631 /nfs/dbraw/zinc/61/66/31/656616631.db2.gz SJLPLJXTAHGRKG-UHFFFAOYSA-N 0 0 310.195 3.373 20 10 DGCDRN Cc1cc(C)[nH]c(=NNC(=S)Nc2ccc(C)c(C)c2)n1 ZINC000006330793 656707567 /nfs/dbraw/zinc/70/75/67/656707567.db2.gz XABDDACHQXSTRQ-UHFFFAOYSA-N 0 0 301.419 3.024 20 10 DGCDRN CCCN(CC(=O)OC)Cc1ccc(N2CCCCC2)cc1 ZINC000178870202 657092349 /nfs/dbraw/zinc/09/23/49/657092349.db2.gz NMEXKJLJPLTRAP-UHFFFAOYSA-N 0 0 304.434 3.062 20 10 DGCDRN CN(Cc1nc(-c2cccs2)no1)c1ccc2c(c1)OCO2 ZINC000178878796 657093463 /nfs/dbraw/zinc/09/34/63/657093463.db2.gz HJFXYKGAXWSMMJ-UHFFFAOYSA-N 0 0 315.354 3.163 20 10 DGCDRN CN(Cc1cncc(Br)c1)c1ccc2c(c1)OCO2 ZINC000178882604 657095024 /nfs/dbraw/zinc/09/50/24/657095024.db2.gz ANPTXHRNGORKSP-UHFFFAOYSA-N 0 0 321.174 3.209 20 10 DGCDRN C[C@@H](Nc1cccc(N2CCNC2=O)c1)c1ccc(F)cc1O ZINC000320513176 657557639 /nfs/dbraw/zinc/55/76/39/657557639.db2.gz DZLGHKCIBUFFQU-LLVKDONJSA-N 0 0 315.348 3.234 20 10 DGCDRN CN(C)C1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCC1 ZINC000097928998 657682520 /nfs/dbraw/zinc/68/25/20/657682520.db2.gz PNEHCRNYRYGMAS-UHFFFAOYSA-N 0 0 303.233 3.273 20 10 DGCDRN COc1ccc(N(C)C[C@H](O)c2ccc(C#N)cc2)cc1Cl ZINC000305052733 657714737 /nfs/dbraw/zinc/71/47/37/657714737.db2.gz AUPBXLUFTGSYJA-INIZCTEOSA-N 0 0 316.788 3.390 20 10 DGCDRN COc1ccc(OC)c(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC000163369875 658140644 /nfs/dbraw/zinc/14/06/44/658140644.db2.gz YYBFELZNERVNRG-UHFFFAOYSA-N 0 0 314.429 3.402 20 10 DGCDRN O=C1/C(=C/c2ccc(O)cc2)SC(=S)N1c1cccnc1 ZINC000016441134 658429794 /nfs/dbraw/zinc/42/97/94/658429794.db2.gz QMICZQHBCZSATN-JYRVWZFOSA-N 0 0 314.391 3.193 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cnc3ccc(F)cc3c2)cc1 ZINC000179350346 658582832 /nfs/dbraw/zinc/58/28/32/658582832.db2.gz MXWYALOARHVDCA-UHFFFAOYSA-N 0 0 323.371 3.370 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)CSc1ccc(F)c(F)c1 ZINC000119969901 658724388 /nfs/dbraw/zinc/72/43/88/658724388.db2.gz QDUCSRYNRGVXNZ-UHFFFAOYSA-N 0 0 323.364 3.421 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)COc1ccc(F)cc1Cl ZINC000042116539 658742706 /nfs/dbraw/zinc/74/27/06/658742706.db2.gz PUIRVIBYIPLBEO-UHFFFAOYSA-N 0 0 323.751 3.222 20 10 DGCDRN C[C@H]([NH2+]Cc1cccc(Br)c1[O-])c1ccccn1 ZINC000042411771 658772100 /nfs/dbraw/zinc/77/21/00/658772100.db2.gz YXUPCBXSCYRLKH-JTQLQIEISA-N 0 0 307.191 3.401 20 10 DGCDRN CCOC(=O)COCCSc1ncc(C(C)(C)C)s1 ZINC000164143234 658919154 /nfs/dbraw/zinc/91/91/54/658919154.db2.gz QGJPVKFZMQGCBE-UHFFFAOYSA-N 0 0 303.449 3.112 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCc1cc2ccccc2[nH]1 ZINC000057644758 659023370 /nfs/dbraw/zinc/02/33/70/659023370.db2.gz NIVWMVQVYKZUJC-UHFFFAOYSA-N 0 0 309.369 3.215 20 10 DGCDRN COC(=O)N(C)c1ccc(NCc2cccc(OC)c2O)cc1 ZINC000157408798 659054549 /nfs/dbraw/zinc/05/45/49/659054549.db2.gz WIQWMLCHVIBSJS-UHFFFAOYSA-N 0 0 316.357 3.216 20 10 DGCDRN CNC(=O)c1ccc(C)c(NCc2cccc(Cl)c2O)c1 ZINC000158059310 659134643 /nfs/dbraw/zinc/13/46/43/659134643.db2.gz BNPCBYWDOXFVDY-UHFFFAOYSA-N 0 0 304.777 3.326 20 10 DGCDRN CCOc1ccccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000060678564 659193315 /nfs/dbraw/zinc/19/33/15/659193315.db2.gz RXIYXKNFMGULPH-UHFFFAOYSA-N 0 0 312.413 3.424 20 10 DGCDRN O=C(CSc1nccs1)NCCCOC1CCCCC1 ZINC000060741025 659198566 /nfs/dbraw/zinc/19/85/66/659198566.db2.gz NOQNSFIKXGTIBI-UHFFFAOYSA-N 0 0 314.476 3.091 20 10 DGCDRN COc1cccc(CNc2cnc(Br)c(C)c2)c1O ZINC000228837416 659215752 /nfs/dbraw/zinc/21/57/52/659215752.db2.gz AECFIPUVMUQNOH-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN COc1cc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])ccn1 ZINC000060942035 659219063 /nfs/dbraw/zinc/21/90/63/659219063.db2.gz QGKFHYPGQDAYRH-UHFFFAOYSA-N 0 0 313.184 3.392 20 10 DGCDRN O=C(/C=C/c1cncc(F)c1)N1CCCc2ccc(F)cc21 ZINC000171447139 659280739 /nfs/dbraw/zinc/28/07/39/659280739.db2.gz WDFHCKXYLARMJN-ZZXKWVIFSA-N 0 0 300.308 3.352 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@H](SC)c2ccccc2)c1 ZINC000172404509 659334084 /nfs/dbraw/zinc/33/40/84/659334084.db2.gz UBKIJNUQNSAOBN-MRXNPFEDSA-N 0 0 317.410 3.121 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3ccccc3C)C2)cc1 ZINC000062574861 659337007 /nfs/dbraw/zinc/33/70/07/659337007.db2.gz PRFNGKVRVUBBCR-INIZCTEOSA-N 0 0 324.424 3.260 20 10 DGCDRN COc1cc(Cl)ccc1C(=O)N(C)Cc1ccccc1O ZINC000063467600 659389299 /nfs/dbraw/zinc/38/92/99/659389299.db2.gz VVGAVWAJYYRZAR-UHFFFAOYSA-N 0 0 305.761 3.326 20 10 DGCDRN COc1ccc(N(C)CCOc2ccccc2C#N)cc1OC ZINC000063617998 659400523 /nfs/dbraw/zinc/40/05/23/659400523.db2.gz DLFXCGGWYUAXIF-UHFFFAOYSA-N 0 0 312.369 3.091 20 10 DGCDRN Cc1cc(C=C2SC(=S)NC2=O)c(OC(F)F)cc1C ZINC000174052171 659410709 /nfs/dbraw/zinc/41/07/09/659410709.db2.gz HFXBTPVKQOCYMC-BJMVGYQFSA-N 0 0 315.366 3.394 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1cccnc1Cl ZINC000175026141 659914959 /nfs/dbraw/zinc/91/49/59/659914959.db2.gz CYVDAWZSYUPJDL-UHFFFAOYSA-N 0 0 303.793 3.200 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(C(C)C)nn1C ZINC000175336481 659919142 /nfs/dbraw/zinc/91/91/42/659919142.db2.gz GKWHJKDYGBMQNK-UHFFFAOYSA-N 0 0 315.417 3.302 20 10 DGCDRN C[C@@H]1CCc2sc(C(=O)NCCc3ccc(N)cc3)cc2C1 ZINC000237549083 659928931 /nfs/dbraw/zinc/92/89/31/659928931.db2.gz WUXYXFBNSJTGRW-GFCCVEGCSA-N 0 0 314.454 3.428 20 10 DGCDRN CCOC(=O)CN(Cc1ccc(F)cc1)Cc1ccccc1O ZINC000179566284 659933576 /nfs/dbraw/zinc/93/35/76/659933576.db2.gz BCCQABUTPPEJHK-UHFFFAOYSA-N 0 0 317.360 3.097 20 10 DGCDRN Cc1cccc(CSCC(=O)NCCc2ccc(N)cc2)c1 ZINC000237642773 659933970 /nfs/dbraw/zinc/93/39/70/659933970.db2.gz BJILITNSTCQITQ-UHFFFAOYSA-N 0 0 314.454 3.169 20 10 DGCDRN Nc1ccc(CCNC(=O)C2(c3cccc(Cl)c3)CC2)cc1 ZINC000237930739 659949334 /nfs/dbraw/zinc/94/93/34/659949334.db2.gz DPRZOULOSJWJLM-UHFFFAOYSA-N 0 0 314.816 3.313 20 10 DGCDRN Nc1ccc(NC(=O)CCc2cnn(-c3ccccc3)c2)cc1 ZINC000237975549 659951355 /nfs/dbraw/zinc/95/13/55/659951355.db2.gz PLYLIBZDQMBZOJ-UHFFFAOYSA-N 0 0 306.369 3.026 20 10 DGCDRN Cc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1N(C)C ZINC000180645203 659966612 /nfs/dbraw/zinc/96/66/12/659966612.db2.gz VUMGPVQPZIXOJI-WEVVVXLNSA-N 0 0 312.369 3.124 20 10 DGCDRN COc1cc(N(C)Cc2cc(C#N)cs2)cc(OC)c1OC ZINC000180757244 659969603 /nfs/dbraw/zinc/96/96/03/659969603.db2.gz NHKYNOMZOQWEFJ-UHFFFAOYSA-N 0 0 318.398 3.282 20 10 DGCDRN CCN(Cc1ccccc1C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180915305 659974453 /nfs/dbraw/zinc/97/44/53/659974453.db2.gz FZKARKHMIMRJJM-PKNBQFBNSA-N 0 0 311.381 3.468 20 10 DGCDRN CC[C@@H](c1ccncc1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181108401 659981157 /nfs/dbraw/zinc/98/11/57/659981157.db2.gz RUSSNRLKVYIQQS-ZKKXHLJNSA-N 0 0 312.369 3.116 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N(C)OCc2ccccc2)cc1 ZINC000181687722 660015107 /nfs/dbraw/zinc/01/51/07/660015107.db2.gz YIBIIPSONNVQIT-UHFFFAOYSA-N 0 0 313.401 3.026 20 10 DGCDRN Oc1ccc(F)cc1C[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183210249 660104338 /nfs/dbraw/zinc/10/43/38/660104338.db2.gz OTCXQXHCMNGMAN-INIZCTEOSA-N 0 0 305.324 3.324 20 10 DGCDRN CCOCC[N@H+](CC)Cc1cc(Br)ccc1O ZINC000076118507 660104944 /nfs/dbraw/zinc/10/49/44/660104944.db2.gz SJKLCFBASYRSEO-UHFFFAOYSA-N 0 0 302.212 3.013 20 10 DGCDRN COC(=O)COc1ccc(N(C)Cc2ccccc2F)cc1 ZINC000183789624 660139039 /nfs/dbraw/zinc/13/90/39/660139039.db2.gz LMLJMCJBSJOZLG-UHFFFAOYSA-N 0 0 303.333 3.014 20 10 DGCDRN CCc1onc(C)c1NC(=O)NCc1cccc(Cl)c1O ZINC000930575922 661412175 /nfs/dbraw/zinc/41/21/75/661412175.db2.gz URXXQUKTEVNIQV-UHFFFAOYSA-N 0 0 309.753 3.226 20 10 DGCDRN CC[C@@H](C)n1nc(NC(=O)NCc2c(O)cccc2F)cc1C ZINC000930714802 661424077 /nfs/dbraw/zinc/42/40/77/661424077.db2.gz ADGRACYSTKAZSO-SNVBAGLBSA-N 0 0 320.368 3.329 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1cc(C2CC2)oc1C1CC1 ZINC000934942773 661750303 /nfs/dbraw/zinc/75/03/03/661750303.db2.gz DFIYTSFNKFUAOV-UHFFFAOYSA-N 0 0 313.353 3.376 20 10 DGCDRN Cc1cnc(NC(=O)NCc2ccc(N3CCCC3)cc2)s1 ZINC000043384181 661844194 /nfs/dbraw/zinc/84/41/94/661844194.db2.gz VTAYZUCIZUJCLM-UHFFFAOYSA-N 0 0 316.430 3.373 20 10 DGCDRN C[C@H](NC(=O)N(C)Cc1ccccc1O)c1nc2ccccc2[nH]1 ZINC000043832391 661850322 /nfs/dbraw/zinc/85/03/22/661850322.db2.gz CZLCRWKDCHJSEU-LBPRGKRZSA-N 0 0 324.384 3.171 20 10 DGCDRN O=C(/C=C/c1ccc(Cl)cc1)NCc1ccc(O)c(O)c1 ZINC000158896683 661879768 /nfs/dbraw/zinc/87/97/68/661879768.db2.gz UDUKLBDNOAUPJU-XBXARRHUSA-N 0 0 303.745 3.081 20 10 DGCDRN Cc1cc(C(=O)OC[C@@H]2CC[C@@H](C)O2)c(C)n1-c1ccccn1 ZINC000159273319 661884991 /nfs/dbraw/zinc/88/49/91/661884991.db2.gz KEKJNWBKQXLMDO-HIFRSBDPSA-N 0 0 314.385 3.213 20 10 DGCDRN CCCc1ccc(S(=O)(=O)N(C)Cc2ccccc2O)cc1 ZINC000159630610 661891727 /nfs/dbraw/zinc/89/17/27/661891727.db2.gz LNZOOSOQGMIQSV-UHFFFAOYSA-N 0 0 319.426 3.165 20 10 DGCDRN C[C@H]1CN(CCSc2ncc(C(C)(C)C)s2)CCO1 ZINC000188325384 661925776 /nfs/dbraw/zinc/92/57/76/661925776.db2.gz UZMKRKLBWOZNGX-NSHDSACASA-N 0 0 300.493 3.253 20 10 DGCDRN C[C@@H](Nc1ccc(OC2COC2)cc1)c1ccc(F)cc1O ZINC000188656201 661938704 /nfs/dbraw/zinc/93/87/04/661938704.db2.gz DSDGLTSFDREAKZ-LLVKDONJSA-N 0 0 303.333 3.482 20 10 DGCDRN O=S(=O)(c1ccco1)N(Cc1ccccc1O)C1CCCC1 ZINC000188711784 661940586 /nfs/dbraw/zinc/94/05/86/661940586.db2.gz UIIFEQVMYXPJGV-UHFFFAOYSA-N 0 0 321.398 3.119 20 10 DGCDRN OC1CCN(c2ccc(CNc3ccc4cn[nH]c4c3)cc2)CC1 ZINC000076275503 661976512 /nfs/dbraw/zinc/97/65/12/661976512.db2.gz UHBPBPXVWCTKKG-UHFFFAOYSA-N 0 0 322.412 3.136 20 10 DGCDRN O=C(CSc1nccs1)Nc1nc2ccccc2s1 ZINC000076395642 661980621 /nfs/dbraw/zinc/98/06/21/661980621.db2.gz NBNIPONWLGWQOH-UHFFFAOYSA-N 0 0 307.425 3.484 20 10 DGCDRN FC(F)COCCN1CCCc2cc(OC(F)F)ccc21 ZINC000189614000 661984386 /nfs/dbraw/zinc/98/43/86/661984386.db2.gz WCNSPSKBHXUJTO-UHFFFAOYSA-N 0 0 307.287 3.322 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@H]2CCC[C@@H](C)CC2)c1 ZINC000190551714 662036109 /nfs/dbraw/zinc/03/61/09/662036109.db2.gz ALJAQHTYOHGCII-OCCSQVGLSA-N 0 0 306.406 3.169 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCCC2(C)C)cc1 ZINC000078363224 662061754 /nfs/dbraw/zinc/06/17/54/662061754.db2.gz AOOHWSVDNIYPOU-MRXNPFEDSA-N 0 0 303.450 3.473 20 10 DGCDRN Cc1ccccc1C[C@@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000191573314 662072706 /nfs/dbraw/zinc/07/27/06/662072706.db2.gz ZHBRARDJTKXZJG-BBRMVZONSA-N 0 0 303.377 3.094 20 10 DGCDRN FC(F)(F)Oc1ccc2c(c1)CCCN2Cc1ncccn1 ZINC000192085876 662086970 /nfs/dbraw/zinc/08/69/70/662086970.db2.gz MLUIBMWVPVIWJU-UHFFFAOYSA-N 0 0 309.291 3.328 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1(CC)CC1 ZINC000079129497 662099813 /nfs/dbraw/zinc/09/98/13/662099813.db2.gz KRQHSSZQROOCBI-UHFFFAOYSA-N 0 0 303.450 3.474 20 10 DGCDRN COCCOCCN(Cc1cccs1)c1ccc(OC)cc1 ZINC000079411206 662109924 /nfs/dbraw/zinc/10/99/24/662109924.db2.gz CBUUMBSSXRXGCO-UHFFFAOYSA-N 0 0 321.442 3.426 20 10 DGCDRN CC(C)Oc1ccc(NC(=O)c2cccc(O)c2O)cc1C#N ZINC000193142732 662123937 /nfs/dbraw/zinc/12/39/37/662123937.db2.gz APBQQTREAHRKFL-UHFFFAOYSA-N 0 0 312.325 3.009 20 10 DGCDRN Cc1cc(NC(=O)c2cccc(O)c2O)nn1-c1ccc(C)cc1 ZINC000193153150 662124146 /nfs/dbraw/zinc/12/41/46/662124146.db2.gz PYXJHEPTCWSUQM-UHFFFAOYSA-N 0 0 323.352 3.153 20 10 DGCDRN COc1ccc(O)c(CNC(=O)CCCc2ccc(C)s2)c1 ZINC000080028170 662127556 /nfs/dbraw/zinc/12/75/56/662127556.db2.gz YRRVRYYNBPEEHI-UHFFFAOYSA-N 0 0 319.426 3.410 20 10 DGCDRN CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1 ZINC000193317409 662130091 /nfs/dbraw/zinc/13/00/91/662130091.db2.gz SYUILHVBOQNCQK-UHFFFAOYSA-N 0 0 305.399 3.392 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC1CCOCC1 ZINC000194283207 662162546 /nfs/dbraw/zinc/16/25/46/662162546.db2.gz ITOADKXVFCWRCM-UHFFFAOYSA-N 0 0 304.415 3.064 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H]1CCCOC1 ZINC000194437346 662165483 /nfs/dbraw/zinc/16/54/83/662165483.db2.gz GOUZVZZVBOXOBF-CQSZACIVSA-N 0 0 318.442 3.312 20 10 DGCDRN Cc1noc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)n1 ZINC000194515575 662167125 /nfs/dbraw/zinc/16/71/25/662167125.db2.gz MDTTTYHHUUKHQE-UHFFFAOYSA-N 0 0 310.357 3.346 20 10 DGCDRN CCN(CC(C)C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000195206889 662180161 /nfs/dbraw/zinc/18/01/61/662180161.db2.gz WVVVZLUGHZGWQD-UHFFFAOYSA-N 0 0 303.450 3.257 20 10 DGCDRN Cc1ccc([C@@H](C)NCc2n[nH]cc2Br)c(O)c1 ZINC000718127173 662230037 /nfs/dbraw/zinc/23/00/37/662230037.db2.gz VCBPAFIGHRZOCQ-SECBINFHSA-N 0 0 310.195 3.037 20 10 DGCDRN C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCN1C ZINC000090721731 662272929 /nfs/dbraw/zinc/27/29/29/662272929.db2.gz XBZUWVIBGDOXFQ-CABZTGNLSA-N 0 0 303.233 3.271 20 10 DGCDRN CN(Cc1ccccc1O)Cc1cc(O)ccc1Br ZINC000091974559 662326044 /nfs/dbraw/zinc/32/60/44/662326044.db2.gz NKHIBQKHMVYMPG-UHFFFAOYSA-N 0 0 322.202 3.492 20 10 DGCDRN COC(=O)[C@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093441043 662354965 /nfs/dbraw/zinc/35/49/65/662354965.db2.gz MRBBVGYIMFTWKB-GFCCVEGCSA-N 0 0 318.200 3.227 20 10 DGCDRN COc1ccc(N(C)Cc2ccc(C#N)cc2F)cc1OC ZINC000140317672 685077567 /nfs/dbraw/zinc/07/75/67/685077567.db2.gz WDNZKLYBRQLKNV-UHFFFAOYSA-N 0 0 300.333 3.351 20 10 DGCDRN C[C@H](NC(=O)CC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000145464826 685086472 /nfs/dbraw/zinc/08/64/72/685086472.db2.gz ASPBUFQXNNOYTO-AWEZNQCLSA-N 0 0 304.434 3.137 20 10 DGCDRN CCc1ncc(C(=O)NCc2ccc(N3CCCC3)cc2)s1 ZINC000150280509 685093873 /nfs/dbraw/zinc/09/38/73/685093873.db2.gz JZLDLBHXJXGBGZ-UHFFFAOYSA-N 0 0 315.442 3.236 20 10 DGCDRN CCC[C@@]1([NH2+]Cc2cccc(Br)c2[O-])CCOC1 ZINC000378723741 685144651 /nfs/dbraw/zinc/14/46/51/685144651.db2.gz AGCWJXSDIQKKED-CQSZACIVSA-N 0 0 314.223 3.204 20 10 DGCDRN CC[N@@H+](Cc1cccc(Br)c1[O-])C[C@H](C)OC ZINC000383212534 685166773 /nfs/dbraw/zinc/16/67/73/685166773.db2.gz KDPIQTVKCZZQMK-JTQLQIEISA-N 0 0 302.212 3.012 20 10 DGCDRN CCNC(=O)c1ccc(NCc2cc(OC)ccc2O)c(C)c1 ZINC000390999064 685208287 /nfs/dbraw/zinc/20/82/87/685208287.db2.gz PXLCBYQLGNUWQJ-UHFFFAOYSA-N 0 0 314.385 3.071 20 10 DGCDRN C[C@@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1[O-] ZINC000397773033 685231305 /nfs/dbraw/zinc/23/13/05/685231305.db2.gz VZNSGOUIQUBDIP-LLVKDONJSA-N 0 0 324.396 3.049 20 10 DGCDRN COc1cc(CN(C)Cc2cc(Cl)cc(F)c2[O-])sn1 ZINC001660074552 1196442391 /nfs/dbraw/zinc/44/23/91/1196442391.db2.gz KTZUJQJEWFGVCH-UHFFFAOYSA-N 0 0 316.785 3.282 20 10 DGCDRN CCCCNC(=O)c1ccc(C[NH2+]Cc2ccc(N)cc2)cc1 ZINC001577461715 1191903473 /nfs/dbraw/zinc/90/34/73/1191903473.db2.gz OPLQGGGNVBLDFJ-UHFFFAOYSA-N 0 0 311.429 3.089 20 10 DGCDRN CCc1ccccc1[C@H](N)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001578275299 1191936398 /nfs/dbraw/zinc/93/63/98/1191936398.db2.gz HLOXUUDQJADQTK-MRXNPFEDSA-N 0 0 306.356 3.022 20 10 DGCDRN CN(C)c1ccc(/C=C\CNc2cccc(-c3nn[nH]n3)c2)cc1 ZINC001578998467 1191963960 /nfs/dbraw/zinc/96/39/60/1191963960.db2.gz LPRYEIVYKNOEMZ-PLNGDYQASA-N 0 0 320.400 3.058 20 10 DGCDRN COc1cc(NC(=O)Cc2ccc(N)cc2)cc(Cl)c1OC ZINC001579160990 1191967961 /nfs/dbraw/zinc/96/79/61/1191967961.db2.gz HJOBXSOGJLBOMG-UHFFFAOYSA-N 0 0 320.776 3.121 20 10 DGCDRN COc1ccc(CN(C)C(=O)Cc2ccc(N)cc2)cc1Cl ZINC001579212279 1191969370 /nfs/dbraw/zinc/96/93/70/1191969370.db2.gz OFWMHXZXJCUTED-UHFFFAOYSA-N 0 0 318.804 3.132 20 10 DGCDRN COc1ccc(NC(=O)NCc2ccc(N)cc2)c2ncccc12 ZINC001579228314 1191969897 /nfs/dbraw/zinc/96/98/97/1191969897.db2.gz BIBUFKRBOYTOGT-UHFFFAOYSA-N 0 0 322.368 3.147 20 10 DGCDRN N[C@H](C[N@H+](Cc1ccccc1O)C1CCCC1)CC(F)(F)F ZINC001580128239 1192008851 /nfs/dbraw/zinc/00/88/51/1192008851.db2.gz UJOGJVVFVUBSJM-ZDUSSCGKSA-N 0 0 316.367 3.417 20 10 DGCDRN Nc1ccc(CC(=O)NCCCc2cccc(Cl)c2)cc1 ZINC001580442725 1192027064 /nfs/dbraw/zinc/02/70/64/1192027064.db2.gz GJSNGWKHQHWWNF-UHFFFAOYSA-N 0 0 302.805 3.214 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H](F)Cc1ccccc1 ZINC001583820484 1192161911 /nfs/dbraw/zinc/16/19/11/1192161911.db2.gz CXDVFHBDOUOCPH-AWEZNQCLSA-N 0 0 307.752 3.243 20 10 DGCDRN CC(C)(CNC(=O)c1cccc(O)c1O)c1ccccc1Cl ZINC001584677600 1192212694 /nfs/dbraw/zinc/21/26/94/1192212694.db2.gz UEQJQYDGJRKCIU-UHFFFAOYSA-N 0 0 319.788 3.459 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCc2cnoc2)cc1 ZINC001584752539 1192217432 /nfs/dbraw/zinc/21/74/32/1192217432.db2.gz GPKZITARIGSYGB-UHFFFAOYSA-N 0 0 309.369 3.055 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)COC/C=C\c2ccccc2)c1 ZINC001584983857 1192234515 /nfs/dbraw/zinc/23/45/15/1192234515.db2.gz TWPIHMZKWIDREI-YVMONPNESA-N 0 0 311.381 3.047 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cc(Cl)cc(C)c2N)c1 ZINC001584983946 1192234585 /nfs/dbraw/zinc/23/45/85/1192234585.db2.gz VXNZJRDMXBRABB-UHFFFAOYSA-N 0 0 304.777 3.175 20 10 DGCDRN COc1ccc(SCC(=O)NCc2cc(C)ccc2O)cc1 ZINC001584983110 1192234858 /nfs/dbraw/zinc/23/48/58/1192234858.db2.gz DFAPOSHDYBHYGV-UHFFFAOYSA-N 0 0 317.410 3.118 20 10 DGCDRN CCCC(C)(C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001585449279 1192261756 /nfs/dbraw/zinc/26/17/56/1192261756.db2.gz JQHWXTGDPMRWKD-UHFFFAOYSA-N 0 0 306.450 3.416 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2C[C@H]2C(C)(C)C)cc1 ZINC001586648780 1192341162 /nfs/dbraw/zinc/34/11/62/1192341162.db2.gz BNDVESYNNUXTHL-IAGOWNOFSA-N 0 0 318.461 3.272 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1 ZINC001587396033 1192397612 /nfs/dbraw/zinc/39/76/12/1192397612.db2.gz KJBSIUWWUPNYNX-UHFFFAOYSA-N 0 0 315.358 3.047 20 10 DGCDRN Cc1cc(-c2nc(C(=O)N[C@H](C)c3ccccc3O)co2)ccn1 ZINC001587446940 1192399893 /nfs/dbraw/zinc/39/98/93/1192399893.db2.gz CWKUXEKYXQUUMP-GFCCVEGCSA-N 0 0 323.352 3.242 20 10 DGCDRN C[C@@H](NC(=O)C1=NO[C@@H](c2ccccc2)C1)c1ccccc1O ZINC001587445277 1192400043 /nfs/dbraw/zinc/40/00/43/1192400043.db2.gz YRJWYTXQBFZFNS-SJKOYZFVSA-N 0 0 310.353 3.087 20 10 DGCDRN C[C@@H](NC(=O)CCc1cc(F)ccc1F)c1ccccc1O ZINC001587445094 1192400300 /nfs/dbraw/zinc/40/03/00/1192400300.db2.gz VBCJTUVITYAECR-LLVKDONJSA-N 0 0 305.324 3.480 20 10 DGCDRN Cc1cccc2[nH]cc(CC(=O)N3Cc4cccc(O)c4C3)c21 ZINC001587929032 1192425541 /nfs/dbraw/zinc/42/55/41/1192425541.db2.gz VQOQZZFJOXQWMN-UHFFFAOYSA-N 0 0 306.365 3.267 20 10 DGCDRN O=C(c1c[nH]nc1-c1ccc(F)cc1)N1Cc2cccc(O)c2C1 ZINC001587928134 1192425652 /nfs/dbraw/zinc/42/56/52/1192425652.db2.gz KNRDMHVYVQXVBX-UHFFFAOYSA-N 0 0 323.327 3.077 20 10 DGCDRN O=C(c1c(F)ccc(F)c1Cl)N1Cc2cccc(O)c2C1 ZINC001587933174 1192426465 /nfs/dbraw/zinc/42/64/65/1192426465.db2.gz MIXCTXYBEWJZMF-UHFFFAOYSA-N 0 0 309.699 3.480 20 10 DGCDRN Cc1cc(O)c(CNc2cccc(-c3nn[nH]n3)c2)cc1Cl ZINC001592055740 1192590862 /nfs/dbraw/zinc/59/08/62/1192590862.db2.gz CNDSEWCMBFCVQP-UHFFFAOYSA-N 0 0 315.764 3.146 20 10 DGCDRN c1csc(Sc2ncc(-c3nn[nH]n3)c3ccsc32)n1 ZINC001593588920 1192638331 /nfs/dbraw/zinc/63/83/31/1192638331.db2.gz JABVBRQTLILGBN-UHFFFAOYSA-N 0 0 318.412 3.084 20 10 DGCDRN O=C(CCCc1ccc(F)c(F)c1)NCc1cccc(O)c1O ZINC001593739660 1192640159 /nfs/dbraw/zinc/64/01/59/1192640159.db2.gz SRKCULYWJQXGDX-UHFFFAOYSA-N 0 0 321.323 3.015 20 10 DGCDRN C[C@@H](C(=O)NCc1cc(O)ccc1O)c1cccc(Cl)c1 ZINC001593873237 1192640950 /nfs/dbraw/zinc/64/09/50/1192640950.db2.gz MOODCABQXZPTGY-SNVBAGLBSA-N 0 0 305.761 3.171 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1cc(C2CC2)oc1C1CC1 ZINC001593881414 1192640953 /nfs/dbraw/zinc/64/09/53/1192640953.db2.gz KTBVHHKGJIFQSI-UHFFFAOYSA-N 0 0 313.353 3.376 20 10 DGCDRN C[C@@H](NC(=O)C1=CC(=O)CS1)c1ccc(C(F)(F)F)nc1 ZINC001594629832 1192646571 /nfs/dbraw/zinc/64/65/71/1192646571.db2.gz LKQLHJHTFDKXBY-SSDOTTSWSA-N 0 0 316.304 3.359 20 10 DGCDRN CN(CCCCc1ccccc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001596467810 1192693572 /nfs/dbraw/zinc/69/35/72/1192693572.db2.gz XZWNWGATFDMULS-UHFFFAOYSA-N 0 0 313.397 3.122 20 10 DGCDRN O=C(CCn1ccc2ccccc21)NCc1c(O)cccc1F ZINC001596910849 1192710308 /nfs/dbraw/zinc/71/03/08/1192710308.db2.gz ABUMOIHHZRGXNE-UHFFFAOYSA-N 0 0 312.344 3.193 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H]1COC[C@H]1C ZINC001597046176 1192716976 /nfs/dbraw/zinc/71/69/76/1192716976.db2.gz XYUOVKOVZRDNIM-CXAGYDPISA-N 0 0 312.413 3.167 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cnn(CC2CC2)c1 ZINC001597743223 1192745211 /nfs/dbraw/zinc/74/52/11/1192745211.db2.gz YFVVIWDLBYHYIF-UHFFFAOYSA-N 0 0 321.380 3.082 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)C1(c2cccnc2)CC1 ZINC001597742890 1192745390 /nfs/dbraw/zinc/74/53/90/1192745390.db2.gz RRZLAFDEKKDNAO-UHFFFAOYSA-N 0 0 318.376 3.288 20 10 DGCDRN Cc1cc(C[NH2+][C@@H](C(=O)[O-])C2CCCCC2)ccc1N(C)C ZINC001600206410 1192809396 /nfs/dbraw/zinc/80/93/96/1192809396.db2.gz VVWIWYGLBGFMLP-QGZVFWFLSA-N 0 0 304.434 3.184 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[N@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001600237221 1192816603 /nfs/dbraw/zinc/81/66/03/1192816603.db2.gz UZAJPAOHRPJNNQ-LJQANCHMSA-N 0 0 324.424 3.245 20 10 DGCDRN Cc1cccnc1[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 ZINC001179689284 1177804472 /nfs/dbraw/zinc/80/44/72/1177804472.db2.gz IUEHFPKYLBMMNS-SQUITACLSA-N 0 0 324.380 3.082 20 10 DGCDRN C[C@H]1C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CC(C)(C)C1 ZINC001179689587 1177804834 /nfs/dbraw/zinc/80/48/34/1177804834.db2.gz SYHHRFVQDFCOJU-LFHSMUGYSA-N 0 0 303.402 3.442 20 10 DGCDRN CO[C@H](C)CC(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001181607931 1177814794 /nfs/dbraw/zinc/81/47/94/1177814794.db2.gz OWILBAOUTDYHIC-PXAZEXFGSA-N 0 0 305.418 3.174 20 10 DGCDRN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)NCc1c(O)ccc2ccccc21 ZINC001157050341 1178040068 /nfs/dbraw/zinc/04/00/68/1178040068.db2.gz DZOMRVWLSMDLNI-WLHTULFXSA-N 0 0 313.397 3.221 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1ocnc1C(F)F ZINC001157051029 1178040941 /nfs/dbraw/zinc/04/09/41/1178040941.db2.gz OBQFWXCUYXGZLK-UHFFFAOYSA-N 0 0 318.279 3.401 20 10 DGCDRN CCc1nccc(NCc2ccc(N3CCSCC3)cc2)n1 ZINC001331536597 1178239242 /nfs/dbraw/zinc/23/92/42/1178239242.db2.gz VJSUTXJPVFKFSU-UHFFFAOYSA-N 0 0 314.458 3.204 20 10 DGCDRN C[C@H]1CO[C@@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC001332723325 1178483597 /nfs/dbraw/zinc/48/35/97/1178483597.db2.gz GAFBWZVIZLRKDW-CRAIPNDOSA-N 0 0 316.445 3.060 20 10 DGCDRN CCc1cccc(CN[C@](C)(C(=O)OC)c2ccccc2)c1O ZINC001333368707 1178596189 /nfs/dbraw/zinc/59/61/89/1178596189.db2.gz LNRWURZAMIAAIL-IBGZPJMESA-N 0 0 313.397 3.133 20 10 DGCDRN C[C@@]1(C(=O)NCc2ccc(N3CCSCC3)cc2)C=CCC1 ZINC001333407973 1178602079 /nfs/dbraw/zinc/60/20/79/1178602079.db2.gz AIUFSYYDBLKAML-GOSISDBHSA-N 0 0 316.470 3.212 20 10 DGCDRN Nc1ccc(Cc2noc([C@@H]3CC[C@H]4[C@@H](C3)C4(F)F)n2)cc1 ZINC001333767101 1178670277 /nfs/dbraw/zinc/67/02/77/1178670277.db2.gz RPAPSGVPQSDXPA-KGYLQXTDSA-N 0 0 305.328 3.391 20 10 DGCDRN Cn1c2ccc(F)cc2c(C[N@@H+]2CCC3(CCC3)C2)c1C(=O)[O-] ZINC001600901404 1192909886 /nfs/dbraw/zinc/90/98/86/1192909886.db2.gz FIZGDMGAOBMWJE-UHFFFAOYSA-N 0 0 316.376 3.392 20 10 DGCDRN CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)NCc1ccc(N)cc1 ZINC001335737007 1178946936 /nfs/dbraw/zinc/94/69/36/1178946936.db2.gz JJDFKWWZAHTEGK-UKRRQHHQSA-N 0 0 305.422 3.168 20 10 DGCDRN CCC1(CC)CN(C(=O)NCc2ccc(N)cc2)CCS1 ZINC001335738111 1178947213 /nfs/dbraw/zinc/94/72/13/1178947213.db2.gz WGEZBMXNYCZYOF-UHFFFAOYSA-N 0 0 307.463 3.086 20 10 DGCDRN CC1(C)CN(C(=O)NCCc2ccc(N)cc2)[C@@H]2CCC[C@@H]21 ZINC001336125561 1178995363 /nfs/dbraw/zinc/99/53/63/1178995363.db2.gz UMVQJKKDARXJOP-JKSUJKDBSA-N 0 0 301.434 3.031 20 10 DGCDRN CCOC(=O)CN(Cc1ccc(N2CCCC2)cc1)C(C)C ZINC001341552610 1179026985 /nfs/dbraw/zinc/02/69/85/1179026985.db2.gz GHFHJAWAAXILPV-UHFFFAOYSA-N 0 0 304.434 3.060 20 10 DGCDRN O=C([O-])[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)C1CCCCC1 ZINC001601653640 1192935643 /nfs/dbraw/zinc/93/56/43/1192935643.db2.gz QLURAYJBZUXADH-QGZVFWFLSA-N 0 0 317.429 3.382 20 10 DGCDRN CC(C)c1ocnc1C(=O)Nc1c2nonc2ccc1Cl ZINC001342950054 1179215182 /nfs/dbraw/zinc/21/51/82/1179215182.db2.gz GACLYTDLWBBMHB-UHFFFAOYSA-N 0 0 306.709 3.240 20 10 DGCDRN CCCC[C@H](COC)NC(=O)NCc1cccc(Cl)c1O ZINC001343099604 1179234054 /nfs/dbraw/zinc/23/40/54/1179234054.db2.gz REGLPZSSOAUNQE-GFCCVEGCSA-N 0 0 314.813 3.050 20 10 DGCDRN CC[C@@H](c1cccc(OC)c1)N(C)C(=O)Cc1ccc(N)cc1 ZINC001343521774 1179290741 /nfs/dbraw/zinc/29/07/41/1179290741.db2.gz CNFAMTCKQGUIOR-SFHVURJKSA-N 0 0 312.413 3.430 20 10 DGCDRN CCN(C)c1ccc(CN[C@@H](C)c2nnc3ccccn32)cc1 ZINC001343897963 1179346672 /nfs/dbraw/zinc/34/66/72/1179346672.db2.gz IAMAFMJIKXGMSQ-AWEZNQCLSA-N 0 0 309.417 3.036 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)c1ccc(F)cc1F ZINC001344043308 1179368973 /nfs/dbraw/zinc/36/89/73/1179368973.db2.gz YSTJQKKXYCLXNF-UHFFFAOYSA-N 0 0 309.659 3.407 20 10 DGCDRN CC[C@H]1CCN(c2nnc(C3SC=CC3=O)n2CC2CC2)C1 ZINC001345816088 1179609812 /nfs/dbraw/zinc/60/98/12/1179609812.db2.gz GQQLXJJEQQNSEL-NSHDSACASA-N 0 0 318.446 3.359 20 10 DGCDRN C[C@]1(CCNC(=O)NCc2ccc(N)cc2)CC1(Cl)Cl ZINC001346649815 1179729321 /nfs/dbraw/zinc/72/93/21/1179729321.db2.gz VAVLTALPIAABQB-ZDUSSCGKSA-N 0 0 316.232 3.042 20 10 DGCDRN CCNc1ncc(C(=O)N(C)Cc2ccccc2O)cc1Cl ZINC001346681627 1179733296 /nfs/dbraw/zinc/73/32/96/1179733296.db2.gz SGTGHOXRNLVUHP-UHFFFAOYSA-N 0 0 319.792 3.145 20 10 DGCDRN COc1ccc(CNC(=O)C23CCC(CC2)C3(C)C)c(O)c1 ZINC001348588321 1179839956 /nfs/dbraw/zinc/83/99/56/1179839956.db2.gz BWAAXKBSUZVSMA-UHFFFAOYSA-N 0 0 303.402 3.233 20 10 DGCDRN CCOC(=O)[C@@H](CC1CC1)NCc1ccc(N2CCCC2)cc1 ZINC001349624825 1179923456 /nfs/dbraw/zinc/92/34/56/1179923456.db2.gz LLDOAMLZQYFRPI-GOSISDBHSA-N 0 0 316.445 3.108 20 10 DGCDRN COc1ccccc1C1(NC(=O)C2=CC(=O)CS2)CCC1 ZINC001350552849 1180085512 /nfs/dbraw/zinc/08/55/12/1180085512.db2.gz HSZOCJKWCTZUOJ-UHFFFAOYSA-N 0 0 303.383 3.272 20 10 DGCDRN CC[C@@H](C)[C@H](OC)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001351164072 1180181497 /nfs/dbraw/zinc/18/14/97/1180181497.db2.gz SVWRWPPVHPNJFQ-QAPCUYQASA-N 0 0 318.461 3.306 20 10 DGCDRN COc1cc(C)cc(C(=O)NCc2ccc(N(C)C)cc2)c1C ZINC001351265437 1180193430 /nfs/dbraw/zinc/19/34/30/1180193430.db2.gz DVRXQLOMDFYTHQ-UHFFFAOYSA-N 0 0 312.413 3.308 20 10 DGCDRN CC[C@H]1CC[C@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)O1 ZINC001352614322 1180370473 /nfs/dbraw/zinc/37/04/73/1180370473.db2.gz AGNBSQMZRNAVER-ZWKOTPCHSA-N 0 0 316.445 3.203 20 10 DGCDRN CC[C@@H](NC(=O)c1ccc(C)c(O)c1O)c1ccccc1F ZINC001300131029 1180410559 /nfs/dbraw/zinc/41/05/59/1180410559.db2.gz HGVYDTQSLAIGDS-CQSZACIVSA-N 0 0 303.333 3.426 20 10 DGCDRN Cc1ccc(CNC(=S)N2CCc3cccc(O)c3C2)cc1 ZINC001200316284 1180537968 /nfs/dbraw/zinc/53/79/68/1180537968.db2.gz NODVPSMGJHLTRP-UHFFFAOYSA-N 0 0 312.438 3.133 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@]2(C)CCC[C@H]2C)cc1 ZINC001300279571 1180543750 /nfs/dbraw/zinc/54/37/50/1180543750.db2.gz HXVYTCMQEQNTLG-DNVCBOLYSA-N 0 0 318.461 3.416 20 10 DGCDRN CC(C)(CNC(=O)NCc1ccc(N)cc1)c1ccc(F)cc1 ZINC001353492037 1180569722 /nfs/dbraw/zinc/56/97/22/1180569722.db2.gz FJVYWOUMIXEVDQ-UHFFFAOYSA-N 0 0 315.392 3.185 20 10 DGCDRN Cc1cnc(Cl)c(C(=O)NCc2cccc(Cl)c2O)c1 ZINC001647830086 1195256214 /nfs/dbraw/zinc/25/62/14/1195256214.db2.gz IADUEWOANSEDAR-UHFFFAOYSA-N 0 0 311.168 3.332 20 10 DGCDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)[C@@H]1COC(=O)N1 ZINC001353787118 1180649612 /nfs/dbraw/zinc/64/96/12/1180649612.db2.gz AVIZLSCUFVSOJI-AWEZNQCLSA-N 0 0 310.313 3.149 20 10 DGCDRN CCCCNC(=S)NCc1cc(Cl)c2cccnc2c1O ZINC001200468894 1180666835 /nfs/dbraw/zinc/66/68/35/1180666835.db2.gz ZHWWCZHCIGZMMD-UHFFFAOYSA-N 0 0 323.849 3.358 20 10 DGCDRN C[C@H](NC(=S)NCc1ccco1)c1ccc(N(C)C)cc1 ZINC001200571942 1180728320 /nfs/dbraw/zinc/72/83/20/1180728320.db2.gz SZURYUMSGKSYCZ-LBPRGKRZSA-N 0 0 303.431 3.071 20 10 DGCDRN CN(Cc1ccccc1O)C(=S)Nc1ccc(F)c(F)c1 ZINC001200690004 1180824439 /nfs/dbraw/zinc/82/44/39/1180824439.db2.gz MANLEEZHENSGLI-UHFFFAOYSA-N 0 0 308.353 3.499 20 10 DGCDRN CCO[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1(CC)CC ZINC001200822063 1180939581 /nfs/dbraw/zinc/93/95/81/1180939581.db2.gz QQUBNNOCKNRERF-HOTGVXAUSA-N 0 0 322.405 3.374 20 10 DGCDRN CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001604336876 1193066113 /nfs/dbraw/zinc/06/61/13/1193066113.db2.gz BZVALEPQRXNSKY-JDFRZJQESA-N 0 0 321.417 3.192 20 10 DGCDRN C[C@H]([NH2+][C@@H](c1ccncc1)C1CC1)c1cc(C(=O)[O-])ccc1O ZINC001604325562 1193064354 /nfs/dbraw/zinc/06/43/54/1193064354.db2.gz OSJGAPULICLYIQ-APPDUMDISA-N 0 0 312.369 3.287 20 10 DGCDRN C[C@H]([NH2+]CC[C@]1(C)C[C@]1(F)Cl)c1cc(C(=O)[O-])ccc1O ZINC001604338635 1193066692 /nfs/dbraw/zinc/06/66/92/1193066692.db2.gz PRIXQXGXSVQMKK-TZTCFGBESA-N 0 0 315.772 3.446 20 10 DGCDRN COC1(C(=O)NCc2ccc(N(C)C)cc2)CCCCCC1 ZINC001355879480 1181109037 /nfs/dbraw/zinc/10/90/37/1181109037.db2.gz XXDJPZSSIXVVSG-UHFFFAOYSA-N 0 0 304.434 3.108 20 10 DGCDRN CCc1ncoc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001356266656 1181166492 /nfs/dbraw/zinc/16/64/92/1181166492.db2.gz LRNIEWHSYKVRNU-UHFFFAOYSA-N 0 0 313.401 3.109 20 10 DGCDRN CO[C@@H]1CCC[C@@H]1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001356267184 1181167168 /nfs/dbraw/zinc/16/71/68/1181167168.db2.gz NMLCENKTTDDLSD-ZWKOTPCHSA-N 0 0 316.445 3.060 20 10 DGCDRN CC(C)Cn1c(C2SC=CC2=O)nnc1N1CCCCC1 ZINC001358105624 1181455480 /nfs/dbraw/zinc/45/54/80/1181455480.db2.gz RJRMRQXAOBKYPZ-UHFFFAOYSA-N 0 0 306.435 3.359 20 10 DGCDRN Cc1cccnc1[C@H](C)NC(=O)NCc1cccc(Cl)c1O ZINC001358475718 1181498305 /nfs/dbraw/zinc/49/83/05/1181498305.db2.gz OEVOCOLJFZFGLI-NSHDSACASA-N 0 0 319.792 3.309 20 10 DGCDRN COc1cc2c(c(OC)c1)N(C[C@@H]1C[C@H]3CCC[C@H]3O1)CCC2 ZINC001473553109 1181546731 /nfs/dbraw/zinc/54/67/31/1181546731.db2.gz BRKBKHXEDZKADF-XOKHGSTOSA-N 0 0 317.429 3.414 20 10 DGCDRN COc1nsc(CNCc2ccc3c(c2)CCO3)c1Cl ZINC001560303161 1181604905 /nfs/dbraw/zinc/60/49/05/1181604905.db2.gz YNNJLLUATCTOIZ-UHFFFAOYSA-N 0 0 310.806 3.030 20 10 DGCDRN Cn1cnc(/C=C/C(=O)N2CCCc3c(Cl)ccc(F)c32)c1 ZINC001359922157 1181611232 /nfs/dbraw/zinc/61/12/32/1181611232.db2.gz JSNJVGPFGOCZMG-QPJJXVBHSA-N 0 0 319.767 3.205 20 10 DGCDRN Cc1c(Cl)ccc2c1N(C(=O)/C=C\c1cn(C)cn1)CCC2 ZINC001360832076 1181633654 /nfs/dbraw/zinc/63/36/54/1181633654.db2.gz MKKGJILXYQQSLS-VURMDHGXSA-N 0 0 315.804 3.375 20 10 DGCDRN Cc1cc(Cl)cc2c1N(C(=O)/C=C\c1cn(C)cn1)CCC2 ZINC001360885467 1181636203 /nfs/dbraw/zinc/63/62/03/1181636203.db2.gz IRBWPBOXXZODEU-WAYWQWQTSA-N 0 0 315.804 3.375 20 10 DGCDRN COc1ccc2c(c1)c1c(n2CC(=O)N(C)C2CC2)CCCC1 ZINC001434902278 1181777844 /nfs/dbraw/zinc/77/78/44/1181777844.db2.gz SLWSULIXDHGUTM-UHFFFAOYSA-N 0 0 312.413 3.150 20 10 DGCDRN Cc1cc(CC(=O)Nc2cc(C)ncn2)c(C)n1-c1ccccc1 ZINC001435202183 1181795734 /nfs/dbraw/zinc/79/57/34/1181795734.db2.gz FQCRLRMNZSSLPG-UHFFFAOYSA-N 0 0 320.396 3.374 20 10 DGCDRN Cc1cc(C(=O)Nc2c3nonc3ccc2Cl)c(C)n1C ZINC001436138492 1181871121 /nfs/dbraw/zinc/87/11/21/1181871121.db2.gz QLYSCCVCCKODOB-UHFFFAOYSA-N 0 0 304.737 3.084 20 10 DGCDRN COc1cccc2[nH]c(C(=O)NCc3ccc(N(C)C)cc3)cc21 ZINC001440648865 1182044617 /nfs/dbraw/zinc/04/46/17/1182044617.db2.gz TYSFJQKJYVBNQN-UHFFFAOYSA-N 0 0 323.396 3.173 20 10 DGCDRN Cc1ncc(-c2ccc(NC(=O)Cc3ccc(O)c(O)c3)cc2)o1 ZINC001440919030 1182051888 /nfs/dbraw/zinc/05/18/88/1182051888.db2.gz HLYWGWYLGPIKJV-UHFFFAOYSA-N 0 0 324.336 3.242 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC(c2ccccc2)CC1 ZINC001441404698 1182062525 /nfs/dbraw/zinc/06/25/25/1182062525.db2.gz KDRXAEZRWVWWQR-UHFFFAOYSA-N 0 0 311.381 3.047 20 10 DGCDRN CC1(C)C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)c2ccccc21 ZINC001445718359 1182154068 /nfs/dbraw/zinc/15/40/68/1182154068.db2.gz DBGVIARCCYZTON-OAHLLOKOSA-N 0 0 311.381 3.179 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1cc2ccccc2cc1F ZINC001445902333 1182157568 /nfs/dbraw/zinc/15/75/68/1182157568.db2.gz PMOXVZFKDYCHCK-UHFFFAOYSA-N 0 0 311.312 3.320 20 10 DGCDRN COc1ccc(CNC(=O)/C=C\CCc2ccccc2)c(O)c1 ZINC001448384899 1182205703 /nfs/dbraw/zinc/20/57/03/1182205703.db2.gz SQSGRHWNPDAOHD-POHAHGRESA-N 0 0 311.381 3.206 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1cccc(CC)c1 ZINC001449115141 1182222669 /nfs/dbraw/zinc/22/26/69/1182222669.db2.gz BUSQUWQEHPXZON-UHFFFAOYSA-N 0 0 318.413 3.299 20 10 DGCDRN C[C@H](C(=O)NCc1ccc(O)cc1O)c1cccc(Cl)c1 ZINC001451768317 1182274769 /nfs/dbraw/zinc/27/47/69/1182274769.db2.gz NDIDVTNJXVTLGI-JTQLQIEISA-N 0 0 305.761 3.171 20 10 DGCDRN O=C(CCc1ccsc1)NCc1ccc2cccnc2c1O ZINC001451956947 1182277908 /nfs/dbraw/zinc/27/79/08/1182277908.db2.gz QNJBOWBTYLBNJS-UHFFFAOYSA-N 0 0 312.394 3.251 20 10 DGCDRN O=C(c1sccc1-n1cccc1)N1Cc2cccc(O)c2C1 ZINC001455037649 1182358780 /nfs/dbraw/zinc/35/87/80/1182358780.db2.gz RVHRLKUXWYUSDI-UHFFFAOYSA-N 0 0 310.378 3.400 20 10 DGCDRN O=C(Cc1ccc(-n2cccc2)cc1)N1Cc2cccc(O)c2C1 ZINC001455036229 1182359049 /nfs/dbraw/zinc/35/90/49/1182359049.db2.gz FFVLYRFWLWJINJ-UHFFFAOYSA-N 0 0 318.376 3.268 20 10 DGCDRN CCC(=O)c1cc(C(=O)NCc2c(O)cccc2F)ccc1F ZINC001456028608 1182393321 /nfs/dbraw/zinc/39/33/21/1182393321.db2.gz JRKZNDJGPJCVMB-UHFFFAOYSA-N 0 0 319.307 3.193 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001456027086 1182393613 /nfs/dbraw/zinc/39/36/13/1182393613.db2.gz CNLKTBHFFSNLKF-UHFFFAOYSA-N 0 0 324.695 3.023 20 10 DGCDRN O=C(CCCc1ccc(F)cc1)NCc1c(O)cccc1F ZINC001456030007 1182394554 /nfs/dbraw/zinc/39/45/54/1182394554.db2.gz PNAGQRMPFJVGCQ-UHFFFAOYSA-N 0 0 305.324 3.310 20 10 DGCDRN CC(C)n1nccc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001456306849 1182408905 /nfs/dbraw/zinc/40/89/05/1182408905.db2.gz ABRAOSJWLUMFMZ-UHFFFAOYSA-N 0 0 309.369 3.253 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1occ2c1CCOC2 ZINC001456308816 1182409949 /nfs/dbraw/zinc/40/99/49/1182409949.db2.gz KJWFYNCFOGONPM-UHFFFAOYSA-N 0 0 323.348 3.141 20 10 DGCDRN CN(C)c1ccc(CN(C)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC001458068313 1182493304 /nfs/dbraw/zinc/49/33/04/1182493304.db2.gz JCGXXCMEWBVLEB-UHFFFAOYSA-N 0 0 303.337 3.436 20 10 DGCDRN CCCN(CC1CC1)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC001458284852 1182510977 /nfs/dbraw/zinc/51/09/77/1182510977.db2.gz ZPPHPMJDJOWEBS-VQHVLOKHSA-N 0 0 318.373 3.407 20 10 DGCDRN Cc1cc(CC(=O)Nc2ccnc(C)n2)c(C)n1-c1ccccc1 ZINC001458392541 1182520762 /nfs/dbraw/zinc/52/07/62/1182520762.db2.gz IFNYYQGUBVGYTD-UHFFFAOYSA-N 0 0 320.396 3.374 20 10 DGCDRN COC(=O)c1cnc(SCc2cn3cccc(C)c3n2)s1 ZINC001459106767 1182568183 /nfs/dbraw/zinc/56/81/83/1182568183.db2.gz RUIQMFCVMAQJLI-UHFFFAOYSA-N 0 0 319.411 3.178 20 10 DGCDRN COc1ccc(N(C)C[C@@H]2CCC3(CCC3)CO2)cc1OC ZINC001459391365 1182585552 /nfs/dbraw/zinc/58/55/52/1182585552.db2.gz GACGNLUCXVUCMR-HNNXBMFYSA-N 0 0 305.418 3.489 20 10 DGCDRN COc1cc(N(C)C[C@@H]2CCC(C)(C)CO2)cc(OC)c1OC ZINC001459488425 1182590465 /nfs/dbraw/zinc/59/04/65/1182590465.db2.gz LOQNHNCNWDCLHA-AWEZNQCLSA-N 0 0 323.433 3.354 20 10 DGCDRN COc1ccc(N(Cc2ccccc2)C[C@@H](C)O)cc1OC ZINC001460974911 1182748900 /nfs/dbraw/zinc/74/89/00/1182748900.db2.gz TUDKWGIBDNJSLP-CQSZACIVSA-N 0 0 301.386 3.091 20 10 DGCDRN CCOCCCC[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC001461063203 1182763226 /nfs/dbraw/zinc/76/32/26/1182763226.db2.gz FDNMEXCZGLOUGI-UHFFFAOYSA-N 0 0 316.239 3.369 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)C2CCCC2)cc1 ZINC001461333264 1182796300 /nfs/dbraw/zinc/79/63/00/1182796300.db2.gz BMVAYVPMSBQJBP-HNNXBMFYSA-N 0 0 318.461 3.416 20 10 DGCDRN Oc1cc(F)c(F)cc1CN1CCO[C@@H](c2cccc(F)c2)C1 ZINC001461905622 1182874198 /nfs/dbraw/zinc/87/41/98/1182874198.db2.gz ANPKMVWNSBXBFI-QGZVFWFLSA-N 0 0 323.314 3.383 20 10 DGCDRN COC(=O)CC1([NH2+]Cc2ccc(F)c(F)c2[O-])CCCCC1 ZINC001462001548 1182893421 /nfs/dbraw/zinc/89/34/21/1182893421.db2.gz MYKKMOCRNXXYFK-UHFFFAOYSA-N 0 0 313.344 3.026 20 10 DGCDRN Cc1c(C[NH2+]Cc2cc(F)c(F)cc2[O-])cccc1[N+](=O)[O-] ZINC001462088288 1182905558 /nfs/dbraw/zinc/90/55/58/1182905558.db2.gz QUKYEZQMERPSQQ-UHFFFAOYSA-N 0 0 308.284 3.177 20 10 DGCDRN COc1cc(O)c(CNc2cc3c(cc2C)OCO3)cc1OC ZINC001462083239 1182905922 /nfs/dbraw/zinc/90/59/22/1182905922.db2.gz VBMORMVBHAFDMP-UHFFFAOYSA-N 0 0 317.341 3.059 20 10 DGCDRN CCOC(=O)[C@@H](C)N(C/C=C\c1ccc(N(C)C)cc1)C1CC1 ZINC001462094194 1182907410 /nfs/dbraw/zinc/90/74/10/1182907410.db2.gz KOVDXAGUCZKNPL-IDTUSYRASA-N 0 0 316.445 3.182 20 10 DGCDRN CC(C)C1C[NH+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC001462153953 1182915779 /nfs/dbraw/zinc/91/57/79/1182915779.db2.gz FUCPTUNBKXVRQM-UHFFFAOYSA-N 0 0 302.187 3.382 20 10 DGCDRN Cc1cc(O)c(CN2C[C@@H](O)Cc3ccccc32)c(Cl)c1 ZINC001462165029 1182918092 /nfs/dbraw/zinc/91/80/92/1182918092.db2.gz VQDBWJKPSKIHAB-ZDUSSCGKSA-N 0 0 303.789 3.278 20 10 DGCDRN COC(=O)/C=C/c1ccc(CN(C)c2ccc(OC)cc2)o1 ZINC001462410185 1182949403 /nfs/dbraw/zinc/94/94/03/1182949403.db2.gz JBQMOHWOKWIQRV-ZHACJKMWSA-N 0 0 301.342 3.111 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC001462438595 1182952650 /nfs/dbraw/zinc/95/26/50/1182952650.db2.gz DPLMXBYIYOJWFN-SFHVURJKSA-N 0 0 319.351 3.154 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCO[C@H]2C2CC2)cc1 ZINC001462712038 1182988380 /nfs/dbraw/zinc/98/83/80/1182988380.db2.gz SVXHECKIZSWRBR-MOPGFXCFSA-N 0 0 324.424 3.391 20 10 DGCDRN COC[C@H](C)OC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001464225462 1183078669 /nfs/dbraw/zinc/07/86/69/1183078669.db2.gz DHUNAAKDGZECKI-AWEZNQCLSA-N 0 0 316.401 3.355 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC001465147101 1183131709 /nfs/dbraw/zinc/13/17/09/1183131709.db2.gz MIOWGZVJRMROKE-UHFFFAOYSA-N 0 0 315.329 3.239 20 10 DGCDRN Cc1cn2cc(NC(=O)N[C@@H](C)c3ccccc3O)ccc2n1 ZINC001465531882 1183155730 /nfs/dbraw/zinc/15/57/30/1183155730.db2.gz JMKQPCRPIYKXTG-LBPRGKRZSA-N 0 0 310.357 3.231 20 10 DGCDRN Cc1cc(NC(=O)Cc2ccc(O)c(O)c2)c2cccnc2c1C ZINC001465560605 1183157571 /nfs/dbraw/zinc/15/75/71/1183157571.db2.gz XTUWEPITEXYZBR-UHFFFAOYSA-N 0 0 322.364 3.444 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC001467516144 1183267783 /nfs/dbraw/zinc/26/77/83/1183267783.db2.gz PKQHFTFUHJCMOM-MNZLEMJZSA-N 0 0 322.408 3.435 20 10 DGCDRN CC(C)c1ncsc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001468118417 1183310374 /nfs/dbraw/zinc/31/03/74/1183310374.db2.gz SPGBOBXREHGOLO-GQCTYLIASA-N 0 0 304.371 3.330 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)CC(C)(C)O)cc1 ZINC001468152865 1183312655 /nfs/dbraw/zinc/31/26/55/1183312655.db2.gz IJOFGNCUWNNRLB-ZDUSSCGKSA-N 0 0 314.429 3.373 20 10 DGCDRN CC(C)[C@]1(C)C[C@@H]1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC001468321495 1183325450 /nfs/dbraw/zinc/32/54/50/1183325450.db2.gz TVPYBNFSYUEUJD-HKUYNNGSSA-N 0 0 315.461 3.303 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC001468743856 1183354833 /nfs/dbraw/zinc/35/48/33/1183354833.db2.gz LFJSLHUYIZWEMQ-KCMWZYNZSA-N 0 0 315.461 3.152 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N[C@H](C1CCC1)C1CCCC1 ZINC001469364579 1183405034 /nfs/dbraw/zinc/40/50/34/1183405034.db2.gz JWKLDKYVAHNDDC-SFHVURJKSA-N 0 0 303.402 3.115 20 10 DGCDRN COc1ccc(O)c(C[NH2+]C2(CCC(=O)[O-])CCCCC2)c1 ZINC001607277687 1193221858 /nfs/dbraw/zinc/22/18/58/1193221858.db2.gz NXTFPCCZJAELJE-UHFFFAOYSA-N 0 0 307.390 3.058 20 10 DGCDRN Cc1cc(C(=O)N(C)C[Si](C)(C)C)c(C)n1-c1ccccn1 ZINC001469690673 1183431050 /nfs/dbraw/zinc/43/10/50/1183431050.db2.gz ZQTFPSYAIICTJM-UHFFFAOYSA-N 0 0 315.493 3.439 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1c(F)ccc(F)c1F ZINC001469876614 1183443463 /nfs/dbraw/zinc/44/34/63/1183443463.db2.gz IKLAHGPOCFYKEA-UHFFFAOYSA-N 0 0 315.678 3.393 20 10 DGCDRN CS[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)C1 ZINC001607391351 1193226786 /nfs/dbraw/zinc/22/67/86/1193226786.db2.gz JZJDYAGZVOEHSL-RAIGVLPGSA-N 0 0 309.431 3.415 20 10 DGCDRN CSCCc1ccccc1NC(=O)c1cccc(O)c1O ZINC001470970050 1183528622 /nfs/dbraw/zinc/52/86/22/1183528622.db2.gz MHTAPBSCXSDHGC-UHFFFAOYSA-N 0 0 303.383 3.256 20 10 DGCDRN Cc1cc(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)ccc1O ZINC001471038508 1183533583 /nfs/dbraw/zinc/53/35/83/1183533583.db2.gz KGIQQMDTAGCXAW-UHFFFAOYSA-N 0 0 312.329 3.140 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(-c2ccco2)[nH]c1=O)c1ccccc1O ZINC001471195457 1183545449 /nfs/dbraw/zinc/54/54/49/1183545449.db2.gz JCOQISRXXMXZFX-LLVKDONJSA-N 0 0 324.336 3.244 20 10 DGCDRN C[C@@H](NC(=O)c1ccn(Cc2ccccc2)n1)c1ccccc1O ZINC001471195108 1183545643 /nfs/dbraw/zinc/54/56/43/1183545643.db2.gz BUXWYIFDFIZSJM-CQSZACIVSA-N 0 0 321.380 3.128 20 10 DGCDRN O=C(/C=C/Sc1ccccc1)NCc1cc(O)ccc1O ZINC001471662233 1183580373 /nfs/dbraw/zinc/58/03/73/1183580373.db2.gz USYQPZXFJWILFJ-CMDGGOBGSA-N 0 0 301.367 3.020 20 10 DGCDRN CCSc1ccccc1CC(=O)NCc1cc(O)ccc1O ZINC001471662004 1183580758 /nfs/dbraw/zinc/58/07/58/1183580758.db2.gz KIEPASZQENARPM-UHFFFAOYSA-N 0 0 317.410 3.069 20 10 DGCDRN CCSc1ccccc1CCNC(=O)c1cccc(O)c1O ZINC001471756212 1183587723 /nfs/dbraw/zinc/58/77/23/1183587723.db2.gz SVQMFHFCGNICOY-UHFFFAOYSA-N 0 0 317.410 3.182 20 10 DGCDRN O=C(CCOc1ccccc1Cl)NCc1c(O)cccc1F ZINC001471974814 1183604226 /nfs/dbraw/zinc/60/42/26/1183604226.db2.gz LCGBJAMPILYBRR-UHFFFAOYSA-N 0 0 323.751 3.270 20 10 DGCDRN O=C(CSc1ccccc1Cl)NCc1c(O)cccc1O ZINC001472063720 1183612177 /nfs/dbraw/zinc/61/21/77/1183612177.db2.gz OOOXNPUBTNWWSA-UHFFFAOYSA-N 0 0 323.801 3.160 20 10 DGCDRN CCCCCc1cc(C(=O)NCc2cccc(Cl)c2O)[nH]n1 ZINC001472316765 1183634181 /nfs/dbraw/zinc/63/41/81/1183634181.db2.gz GKBHYYNEWRTPCU-UHFFFAOYSA-N 0 0 321.808 3.431 20 10 DGCDRN CCOc1cc(NCc2c(O)cccc2O)ccc1[N+](=O)[O-] ZINC001472887029 1183696079 /nfs/dbraw/zinc/69/60/79/1183696079.db2.gz JTZAZSNQMJGYOW-UHFFFAOYSA-N 0 0 304.302 3.017 20 10 DGCDRN Cc1cc([C@H]([NH2+]Cc2cc(Cl)ccc2O)C(=O)[O-])ccc1F ZINC001607612405 1193240927 /nfs/dbraw/zinc/24/09/27/1193240927.db2.gz NQATUFGLDAHBGD-HNNXBMFYSA-N 0 0 323.751 3.409 20 10 DGCDRN CN(C)c1ccc(CN(CC(=O)OC(C)(C)C)C2CCC2)cc1 ZINC001473595352 1183777943 /nfs/dbraw/zinc/77/79/43/1183777943.db2.gz CPVUYBWRKXBQSC-UHFFFAOYSA-N 0 0 318.461 3.449 20 10 DGCDRN CC(C)C[C@H](CCO)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001474021055 1183851986 /nfs/dbraw/zinc/85/19/86/1183851986.db2.gz JMVXURDWJLWAPW-NSHDSACASA-N 0 0 303.805 3.319 20 10 DGCDRN Fc1cc(F)c(F)c(CNCc2ccc3c(c2)CCO3)c1F ZINC001474039830 1183856436 /nfs/dbraw/zinc/85/64/36/1183856436.db2.gz YQSGTYPIQGPTQY-UHFFFAOYSA-N 0 0 311.278 3.468 20 10 DGCDRN CC(C)c1ccc(O)c(CN2CC(=O)N(Cc3ccccc3)C2)c1 ZINC001474355731 1183908460 /nfs/dbraw/zinc/90/84/60/1183908460.db2.gz ONRVGJREUUDHPS-UHFFFAOYSA-N 0 0 324.424 3.318 20 10 DGCDRN COc1cc(C)c(CN(C)c2ccc(OC)c(F)c2)c(O)c1 ZINC001474433459 1183920756 /nfs/dbraw/zinc/92/07/56/1183920756.db2.gz OMULDIXJKYLDOJ-UHFFFAOYSA-N 0 0 305.349 3.493 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H](CO)c1ccc(F)cc1F ZINC001474639924 1183954825 /nfs/dbraw/zinc/95/48/25/1183954825.db2.gz SRQFSMHXWOUVQZ-AWEZNQCLSA-N 0 0 313.731 3.147 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]Cc1noc2ccc(F)cc12 ZINC001474672327 1183959757 /nfs/dbraw/zinc/95/97/57/1183959757.db2.gz CHIXZHKKLVLFTG-UHFFFAOYSA-N 0 0 308.259 3.241 20 10 DGCDRN CCCc1ccc(S(=O)(=O)N2Cc3cccc(O)c3C2)cc1 ZINC001475608501 1184010932 /nfs/dbraw/zinc/01/09/32/1184010932.db2.gz PWXCFHJEUPHILK-UHFFFAOYSA-N 0 0 317.410 3.049 20 10 DGCDRN Cn1ccc2ccc(NC(=O)NCc3c(O)cccc3F)cc21 ZINC001476425407 1184039432 /nfs/dbraw/zinc/03/94/32/1184039432.db2.gz TUUKKYGADXJVFM-UHFFFAOYSA-N 0 0 313.332 3.345 20 10 DGCDRN CC[C@H](NC(=O)NCc1cccc(Cl)c1O)C(F)(F)F ZINC001476435271 1184039578 /nfs/dbraw/zinc/03/95/78/1184039578.db2.gz NMPDUIWZEVIPNQ-VIFPVBQESA-N 0 0 310.703 3.186 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc(OC(F)F)cn2)c1 ZINC001476653913 1184047548 /nfs/dbraw/zinc/04/75/48/1184047548.db2.gz VJWBUJLIYSIFTD-UHFFFAOYSA-N 0 0 323.299 3.019 20 10 DGCDRN O=C(NCCCc1ccccc1)NCc1cc(Cl)ccc1O ZINC001477305518 1184080794 /nfs/dbraw/zinc/08/07/94/1184080794.db2.gz JOEIRDDURPPQTN-UHFFFAOYSA-N 0 0 318.804 3.478 20 10 DGCDRN CC[C@@H]1C[C@H]1CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC001478630093 1184164362 /nfs/dbraw/zinc/16/43/62/1184164362.db2.gz LJHSCTFIGPFKDV-OCCSQVGLSA-N 0 0 302.418 3.116 20 10 DGCDRN O=C([O-])[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)Cc2ccccc21 ZINC001608645155 1193297583 /nfs/dbraw/zinc/29/75/83/1193297583.db2.gz IMDLYAVNFVOBRT-SFHVURJKSA-N 0 0 323.392 3.065 20 10 DGCDRN O=C([O-])c1cnc(S[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC001608978783 1193317633 /nfs/dbraw/zinc/31/76/33/1193317633.db2.gz RJFGIFFGQCBMPA-GFCCVEGCSA-N 0 0 320.439 3.208 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)c1cc(C(=O)[O-])ccc1O ZINC001609755259 1193354621 /nfs/dbraw/zinc/35/46/21/1193354621.db2.gz YTNCTARQIGXANQ-NWDGAFQWSA-N 0 0 315.369 3.078 20 10 DGCDRN Cc1cc(C)c(O)c(C[N@H+](CCc2ccccc2)CC(=O)[O-])c1 ZINC001610455987 1193389566 /nfs/dbraw/zinc/38/95/66/1193389566.db2.gz OQBLWPSWTJHTKW-UHFFFAOYSA-N 0 0 313.397 3.138 20 10 DGCDRN Cc1cc(O)c(C[NH2+][C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1C ZINC001610475918 1193391265 /nfs/dbraw/zinc/39/12/65/1193391265.db2.gz PIXGOGCOIMYTHC-MRXNPFEDSA-N 0 0 321.323 3.203 20 10 DGCDRN CC(C)CC[C@H]1CCC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001611413258 1193433118 /nfs/dbraw/zinc/43/31/18/1193433118.db2.gz VNHDMVPMDYVYII-CABCVRRESA-N 0 0 305.418 3.361 20 10 DGCDRN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1Sc1nccs1 ZINC001611842936 1193442374 /nfs/dbraw/zinc/44/23/74/1193442374.db2.gz VKILDUCAYOCXFN-UHFFFAOYSA-N 0 0 321.383 3.095 20 10 DGCDRN Cc1cc(CC(=O)N(C)C#N)c(C)n1-c1ccc(Cl)cc1 ZINC001517599740 1186815583 /nfs/dbraw/zinc/81/55/83/1186815583.db2.gz KPCGFOVRBRAAMC-UHFFFAOYSA-N 0 0 301.777 3.230 20 10 DGCDRN COc1ccc(CNc2cc(Cl)nc3cc(C)nn32)c(O)c1 ZINC001612301098 1193449599 /nfs/dbraw/zinc/44/95/99/1193449599.db2.gz NJXWHXOQZOTUEK-UHFFFAOYSA-N 0 0 318.764 3.017 20 10 DGCDRN CN(C(=O)/C=C/c1ccc(Cl)nc1)c1ccc(Cl)nc1 ZINC001519914612 1186902613 /nfs/dbraw/zinc/90/26/13/1186902613.db2.gz ZHQANUBRBGPOFO-XVNBXDOJSA-N 0 0 308.168 3.460 20 10 DGCDRN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CC[C@H](C)C1 ZINC001612537265 1193454324 /nfs/dbraw/zinc/45/43/24/1193454324.db2.gz AUESHYQKWAJDKV-DZGCQCFKSA-N 0 0 314.433 3.365 20 10 DGCDRN CN(Cc1ccccc1O)c1nnc([C@@H]2CCC(F)(F)C2)n1C ZINC001520075885 1186915363 /nfs/dbraw/zinc/91/53/63/1186915363.db2.gz PVPPFRMNLRJLHX-LLVKDONJSA-N 0 0 322.359 3.060 20 10 DGCDRN O=C(NC[C@H]1C[C@H]1Cc1ccccc1)N1Cc2cccc(O)c2C1 ZINC001521519170 1187027273 /nfs/dbraw/zinc/02/72/73/1187027273.db2.gz PGJBZVXPJIYMGM-IAGOWNOFSA-N 0 0 322.408 3.296 20 10 DGCDRN Cc1cc(N2Cc3cccc(O)c3C2)nc(-c2cccnc2)n1 ZINC001612800400 1193461163 /nfs/dbraw/zinc/46/11/63/1193461163.db2.gz YOUWPRZAYXIPGX-UHFFFAOYSA-N 0 0 304.353 3.073 20 10 DGCDRN Oc1cccc(O)c1CNc1ncnc2sc3c(c21)CCC3 ZINC001612969361 1193465166 /nfs/dbraw/zinc/46/51/66/1193465166.db2.gz DIBPUYASDOHAKE-UHFFFAOYSA-N 0 0 313.382 3.203 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C12CCC(CC1)C2(C)C ZINC001528094484 1187469093 /nfs/dbraw/zinc/46/90/93/1187469093.db2.gz JYPZZTCRRJZUNX-YXZFSOQLSA-N 0 0 317.429 3.361 20 10 DGCDRN CCCN(C)c1nnc(CC)n1Cc1ccc(N(C)C)cc1C ZINC001614609920 1193494796 /nfs/dbraw/zinc/49/47/96/1193494796.db2.gz IRSWWCYSLSLWHK-UHFFFAOYSA-N 0 0 315.465 3.109 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)C[C@H]2CC[C@H](C)C2)cc1 ZINC001530908081 1187652743 /nfs/dbraw/zinc/65/27/43/1187652743.db2.gz XHEHTSZVSXNJJS-HOTGVXAUSA-N 0 0 318.461 3.416 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)C2C(C)(C)C2(C)C)cc1 ZINC001531374395 1187682776 /nfs/dbraw/zinc/68/27/76/1187682776.db2.gz AWTJQIGYIGOKKG-UHFFFAOYSA-N 0 0 318.461 3.272 20 10 DGCDRN COCCCC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001531612076 1187699158 /nfs/dbraw/zinc/69/91/58/1187699158.db2.gz LGNOCPKUMMVTDN-UHFFFAOYSA-N 0 0 314.429 3.445 20 10 DGCDRN Cc1cc(CC(=O)Nc2ncc(C)cn2)c(C)n1-c1ccccc1 ZINC001535279616 1187948632 /nfs/dbraw/zinc/94/86/32/1187948632.db2.gz BIWVOIGRUOTJLI-UHFFFAOYSA-N 0 0 320.396 3.374 20 10 DGCDRN C/C(=C\c1cccnc1)C(=O)N1CCOc2c(F)cc(F)cc21 ZINC001616246394 1193533702 /nfs/dbraw/zinc/53/37/02/1193533702.db2.gz OHGYCXNTTJOAQW-YRNVUSSQSA-N 0 0 316.307 3.189 20 10 DGCDRN C/C(=C/c1cccnc1)C(=O)N1CCOc2c(F)cc(F)cc21 ZINC001616246393 1193533803 /nfs/dbraw/zinc/53/38/03/1193533803.db2.gz OHGYCXNTTJOAQW-XFFZJAGNSA-N 0 0 316.307 3.189 20 10 DGCDRN Cc1cc(CC(=O)Nc2cnns2)c(C)n1-c1ccccc1 ZINC001538735410 1188159850 /nfs/dbraw/zinc/15/98/50/1188159850.db2.gz RJWYXFKUCNOKKP-UHFFFAOYSA-N 0 0 312.398 3.127 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)c1ccc(C(F)F)nc1 ZINC001539054398 1188175565 /nfs/dbraw/zinc/17/55/65/1188175565.db2.gz QMBBMRMIKNUVLJ-UHFFFAOYSA-N 0 0 324.674 3.461 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H]1c1ccsc1 ZINC001540973568 1188267084 /nfs/dbraw/zinc/26/70/84/1188267084.db2.gz OCGNDTMYVDSSOT-ZDUSSCGKSA-N 0 0 303.383 3.066 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H](c3ccccc3)C2)cc1 ZINC001542379624 1188283652 /nfs/dbraw/zinc/28/36/52/1188283652.db2.gz TZPWTJZLVNHZLS-OAHLLOKOSA-N 0 0 322.368 3.479 20 10 DGCDRN CSc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)nc1 ZINC001543375152 1188329418 /nfs/dbraw/zinc/32/94/18/1188329418.db2.gz MGVWNUYSNSQQSN-UHFFFAOYSA-N 0 0 315.358 3.218 20 10 DGCDRN C[C@H](c1ccccn1)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001544557760 1188398141 /nfs/dbraw/zinc/39/81/41/1188398141.db2.gz MUCGPDOGAFKZNU-LLVKDONJSA-N 0 0 311.345 3.077 20 10 DGCDRN C[C@@H]1CN(C(=O)/C=C/c2cccnc2)c2cc(F)c(F)cc2O1 ZINC001617199880 1193561763 /nfs/dbraw/zinc/56/17/63/1193561763.db2.gz LKYZXORJINQMGF-SGUJLRQBSA-N 0 0 316.307 3.187 20 10 DGCDRN CCCOc1cc(F)ccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001545654596 1188435935 /nfs/dbraw/zinc/43/59/35/1188435935.db2.gz UURMEWQITJKPBE-UHFFFAOYSA-N 0 0 319.332 3.207 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1ccc2c(c1)CCCC2=O ZINC001562864841 1188553111 /nfs/dbraw/zinc/55/31/11/1188553111.db2.gz PHWQDMIEIOQBMK-UHFFFAOYSA-N 0 0 310.353 3.233 20 10 DGCDRN CC[C@@H]1c2ccccc2CCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001617579297 1193574283 /nfs/dbraw/zinc/57/42/83/1193574283.db2.gz PMTWRWFODUNWDD-MRXNPFEDSA-N 0 0 311.381 3.176 20 10 DGCDRN CCCC[C@H](O)CCC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001556260970 1188992413 /nfs/dbraw/zinc/99/24/13/1188992413.db2.gz WPZQQFJDNCTPAT-PBHICJAKSA-N 0 0 306.450 3.261 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1ccc(C(F)(F)F)cc1 ZINC001557084569 1189039985 /nfs/dbraw/zinc/03/99/85/1189039985.db2.gz FSZKDJNDXFWVPC-UHFFFAOYSA-N 0 0 311.259 3.047 20 10 DGCDRN C[C@@H](NC(=O)[C@H]1CCOc2c(F)cccc21)c1ccccc1O ZINC001557967655 1189095878 /nfs/dbraw/zinc/09/58/78/1189095878.db2.gz IPCZHQVQJIJQPH-RISCZKNCSA-N 0 0 315.344 3.275 20 10 DGCDRN Cc1cc(=O)[nH]c2cc(C(=O)N[C@@H](C)c3ccccc3O)ccc12 ZINC001557968791 1189095989 /nfs/dbraw/zinc/09/59/89/1189095989.db2.gz MGDDIEOYIXEMRM-LBPRGKRZSA-N 0 0 322.364 3.445 20 10 DGCDRN C[C@H](NC(=O)c1cnc(-c2ccccc2)nc1)c1ccccc1O ZINC001557968199 1189096081 /nfs/dbraw/zinc/09/60/81/1189096081.db2.gz SWDSELVSJPEQSF-ZDUSSCGKSA-N 0 0 319.364 3.340 20 10 DGCDRN Cc1c(=O)[nH]c2ccccc2c1C(=O)N[C@H](C)c1ccccc1O ZINC001557967694 1189096187 /nfs/dbraw/zinc/09/61/87/1189096187.db2.gz JKVGGJVCBPPCNX-GFCCVEGCSA-N 0 0 322.364 3.445 20 10 DGCDRN CC[C@@H](C[C@@H](C)O)NC(=O)c1sccc1-n1c(C)ccc1C ZINC001558010374 1189097369 /nfs/dbraw/zinc/09/73/69/1189097369.db2.gz YQAHHCWWKSGNDG-KGLIPLIRSA-N 0 0 320.458 3.435 20 10 DGCDRN C[C@H](C(=O)N1Cc2cccc(O)c2C1)c1ccc(F)c(F)c1 ZINC001558035327 1189100971 /nfs/dbraw/zinc/10/09/71/1189100971.db2.gz GRYVKIPSQKZTHJ-JTQLQIEISA-N 0 0 303.308 3.316 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1cccc(C(F)(F)F)c1 ZINC001558159453 1189108117 /nfs/dbraw/zinc/10/81/17/1189108117.db2.gz HABCDMUAYSVNQN-UHFFFAOYSA-N 0 0 311.259 3.047 20 10 DGCDRN C[C@H](C(=O)NCc1cccc(O)c1O)c1cc2ccccc2o1 ZINC001558162311 1189108591 /nfs/dbraw/zinc/10/85/91/1189108591.db2.gz YUKJRUPHKNCRIA-NSHDSACASA-N 0 0 311.337 3.264 20 10 DGCDRN Cc1cc(C(=O)NCc2c(O)cccc2F)c(C(F)(F)F)o1 ZINC001558454382 1189126445 /nfs/dbraw/zinc/12/64/45/1189126445.db2.gz GFFMMGIBYNTSJU-UHFFFAOYSA-N 0 0 317.238 3.382 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1ccccc1OC(F)F ZINC001558455076 1189126463 /nfs/dbraw/zinc/12/64/63/1189126463.db2.gz NHHADDJAUFRYAS-UHFFFAOYSA-N 0 0 311.259 3.063 20 10 DGCDRN CCn1cc(C(=O)NCc2cccc(Cl)c2O)c(C(C)C)n1 ZINC001558757201 1189146269 /nfs/dbraw/zinc/14/62/69/1189146269.db2.gz UJAIYEHPXCGNIT-UHFFFAOYSA-N 0 0 321.808 3.315 20 10 DGCDRN O=C(c1c(F)ccc(O)c1O)N1CCc2cc(Cl)ccc2C1 ZINC001558963754 1189159474 /nfs/dbraw/zinc/15/94/74/1189159474.db2.gz CQJIGOXHLRQDLP-UHFFFAOYSA-N 0 0 321.735 3.089 20 10 DGCDRN CCN(CC1CCC1)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC001559174008 1189178088 /nfs/dbraw/zinc/17/80/88/1189178088.db2.gz LYJJSNJELKICOW-NTMALXAHSA-N 0 0 318.373 3.407 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC001559214683 1189181657 /nfs/dbraw/zinc/18/16/57/1189181657.db2.gz SQHLOPDPSILFGG-CYBMUJFWSA-N 0 0 314.389 3.407 20 10 DGCDRN CCc1cc2c(ncnc2NCc2c(O)cccc2O)s1 ZINC001559287874 1189193194 /nfs/dbraw/zinc/19/31/94/1189193194.db2.gz HFEGPABVVCRJFO-UHFFFAOYSA-N 0 0 301.371 3.277 20 10 DGCDRN COC(=O)c1cnc(SCC(=O)c2ccc(C)cc2)s1 ZINC001559416813 1189202931 /nfs/dbraw/zinc/20/29/31/1189202931.db2.gz YUBIBYIIVBIWHQ-UHFFFAOYSA-N 0 0 307.396 3.213 20 10 DGCDRN COC(=O)c1cnc(SCc2cccc(NC(C)=O)c2)s1 ZINC001559416837 1189203135 /nfs/dbraw/zinc/20/31/35/1189203135.db2.gz ZKWPATZBNPYDCY-UHFFFAOYSA-N 0 0 322.411 3.180 20 10 DGCDRN O=C1c2ccccc2C(=O)N1CSc1ncc(Cl)s1 ZINC001559445888 1189205868 /nfs/dbraw/zinc/20/58/68/1189205868.db2.gz QCIQCKBWMBDFGJ-UHFFFAOYSA-N 0 0 310.787 3.142 20 10 DGCDRN CCn1cnc(Cl)c1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC001560519883 1189335908 /nfs/dbraw/zinc/33/59/08/1189335908.db2.gz WRELCUCMBPGGSJ-JTQLQIEISA-N 0 0 309.797 3.121 20 10 DGCDRN C[C@@H]1CN(Cc2ccc(Cl)cc2O)C[C@H](C(F)(F)F)O1 ZINC001560632890 1189353119 /nfs/dbraw/zinc/35/31/19/1189353119.db2.gz ZNSJXJVSZICILL-PRHODGIISA-N 0 0 309.715 3.197 20 10 DGCDRN CCCC[C@@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)OC ZINC001560737699 1189371448 /nfs/dbraw/zinc/37/14/48/1189371448.db2.gz CUAKGUMDNHRXCR-ZPUOCTKUSA-N 0 0 304.434 3.087 20 10 DGCDRN CC[C@H](C)C[C@@H](NCc1ccc2c(c1)CCCO2)C(=O)OC ZINC001560904037 1189402921 /nfs/dbraw/zinc/40/29/21/1189402921.db2.gz LNYQUJFHQJULSB-XJKSGUPXSA-N 0 0 305.418 3.079 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCCC[C@@H]2C=CCC2)cc1F ZINC001563811356 1189536109 /nfs/dbraw/zinc/53/61/09/1189536109.db2.gz VVQDMRWFUPEGOM-CQSZACIVSA-N 0 0 319.424 3.437 20 10 DGCDRN O=C(NCc1c(O)cccc1F)NC[C@H]1CCC[C@@H]1C1CC1 ZINC001564921806 1189606481 /nfs/dbraw/zinc/60/64/81/1189606481.db2.gz MCLMPUHCDXXVMJ-CHWSQXEVSA-N 0 0 306.381 3.157 20 10 DGCDRN CCO[C@@H]1C[C@H](NC(=O)c2ccc(C)c(O)c2O)C1(CC)CC ZINC001566143196 1189747413 /nfs/dbraw/zinc/74/74/13/1189747413.db2.gz OWFJDDFCKKUODT-UONOGXRCSA-N 0 0 321.417 3.120 20 10 DGCDRN CCO[C@@H]1C[C@@H](NC(=O)c2ccc(C)c(O)c2O)C1(CC)CC ZINC001566143197 1189747716 /nfs/dbraw/zinc/74/77/16/1189747716.db2.gz OWFJDDFCKKUODT-ZIAGYGMSSA-N 0 0 321.417 3.120 20 10 DGCDRN C[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)c1ccccn1 ZINC001566359498 1189764932 /nfs/dbraw/zinc/76/49/32/1189764932.db2.gz FLNOTGDFOPICND-CYBMUJFWSA-N 0 0 310.397 3.086 20 10 DGCDRN CCOC(=O)/C=C\CN1C[C@H](C(C)C)Cc2cc(OC)ccc21 ZINC001618691254 1193748087 /nfs/dbraw/zinc/74/80/87/1193748087.db2.gz FFTRWEVQFMEIOE-MWWKQMNYSA-N 0 0 317.429 3.449 20 10 DGCDRN CCOC(=O)/C=C\CN1C[C@@H](C(C)C)Cc2cc(OC)ccc21 ZINC001618691255 1193748435 /nfs/dbraw/zinc/74/84/35/1193748435.db2.gz FFTRWEVQFMEIOE-WLMCBFPDSA-N 0 0 317.429 3.449 20 10 DGCDRN CN(C)c1ccc(/C=C\CNc2ccc3c(c2)NC(=O)C3)cc1 ZINC001621065248 1193763083 /nfs/dbraw/zinc/76/30/83/1193763083.db2.gz RIMDDAYKXZVABF-ARJAWSKDSA-N 0 0 307.397 3.373 20 10 DGCDRN COC(=O)[C@@H](N[C@@H](C)c1ccccc1O)c1ccccc1F ZINC001620505320 1193773966 /nfs/dbraw/zinc/77/39/66/1193773966.db2.gz WQAXMUXXTQLPSP-ZBEGNZNMSA-N 0 0 303.333 3.096 20 10 DGCDRN Cc1cc(O)c(CN2CC(=O)N(C(C)C)C(C)(C)C2)cc1Cl ZINC001621114263 1193804738 /nfs/dbraw/zinc/80/47/38/1193804738.db2.gz FJZVLXPBTRGMHQ-UHFFFAOYSA-N 0 0 324.852 3.185 20 10 DGCDRN CCc1nc([C@H]2CCCCN2Cc2cc(F)c(F)cc2O)no1 ZINC001621185482 1193815031 /nfs/dbraw/zinc/81/50/31/1193815031.db2.gz GWVKKZONAABWKK-CYBMUJFWSA-N 0 0 323.343 3.343 20 10 DGCDRN COc1ccc2c(c1)CCN2Cc1cc(F)ccc1N(C)C ZINC001621194006 1193815910 /nfs/dbraw/zinc/81/59/10/1193815910.db2.gz CJPGQBQZBALKFM-UHFFFAOYSA-N 0 0 300.377 3.463 20 10 DGCDRN Cc1ccc([C@H](O)[C@@H](C)[NH2+]Cc2cc(F)c(F)cc2[O-])cc1 ZINC001621411042 1193839154 /nfs/dbraw/zinc/83/91/54/1193839154.db2.gz PGVXTAMNYJHCCO-PIGZYNQJSA-N 0 0 307.340 3.191 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccc2[nH]c(=O)oc2c1 ZINC001621463322 1193846526 /nfs/dbraw/zinc/84/65/26/1193846526.db2.gz UVGHZNHCYWHESN-QMMMGPOBSA-N 0 0 320.295 3.368 20 10 DGCDRN C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001621496399 1193850649 /nfs/dbraw/zinc/85/06/49/1193850649.db2.gz GPCGAFBHTHZVQE-CJNGLKHVSA-N 0 0 311.381 3.045 20 10 DGCDRN COc1cc(CC[NH2+]Cc2cc(F)c(F)cc2[O-])cc(OC)c1 ZINC001621571366 1193860331 /nfs/dbraw/zinc/86/03/31/1193860331.db2.gz SHNUXKJNYMNVRX-UHFFFAOYSA-N 0 0 323.339 3.020 20 10 DGCDRN Cc1cnc([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)s1 ZINC001621756227 1193868986 /nfs/dbraw/zinc/86/89/86/1193868986.db2.gz OEOWGOUZDPMAMR-VIFPVBQESA-N 0 0 317.374 3.105 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(C)c(F)cc1N ZINC001622319782 1193894718 /nfs/dbraw/zinc/89/47/18/1193894718.db2.gz ZKBLJMFGAHOHBO-UHFFFAOYSA-N 0 0 316.376 3.474 20 10 DGCDRN C[C@H](NS(=O)(=O)c1sccc1Cl)c1ccccc1O ZINC001622460845 1193901502 /nfs/dbraw/zinc/90/15/02/1193901502.db2.gz CYMBOZUOTADUBM-QMMMGPOBSA-N 0 0 317.819 3.147 20 10 DGCDRN C[C@H](NC(=O)Nc1cccc([S@](C)=O)c1)c1ccccc1O ZINC001623052660 1193918733 /nfs/dbraw/zinc/91/87/33/1193918733.db2.gz IVOUZEGHHTVIOP-SAHAZLINSA-N 0 0 318.398 3.012 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2cnc(Cl)c(C)c2)c1 ZINC001623247408 1193924018 /nfs/dbraw/zinc/92/40/18/1193924018.db2.gz YEKHUXXOGCIEDJ-UHFFFAOYSA-N 0 0 305.765 3.379 20 10 DGCDRN Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000037375943 1193926432 /nfs/dbraw/zinc/92/64/32/1193926432.db2.gz MVCAIRYKONEKGJ-UHFFFAOYSA-N 0 0 317.197 3.376 20 10 DGCDRN Cn1ccc2ccc(NC(=O)N3Cc4cccc(O)c4C3)cc21 ZINC001623802753 1193966008 /nfs/dbraw/zinc/96/60/08/1193966008.db2.gz NLYOWSSWVUHUBT-UHFFFAOYSA-N 0 0 307.353 3.432 20 10 DGCDRN COC(C)(C)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001624070574 1193979592 /nfs/dbraw/zinc/97/95/92/1193979592.db2.gz VLEHVXHEGYCOIQ-UHFFFAOYSA-N 0 0 314.429 3.444 20 10 DGCDRN C[C@@H](CCc1ccco1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001624367523 1193994618 /nfs/dbraw/zinc/99/46/18/1193994618.db2.gz KKVDDUBGIDKSHX-NSHDSACASA-N 0 0 314.345 3.193 20 10 DGCDRN CC1=C(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCCO1 ZINC001624626679 1194006496 /nfs/dbraw/zinc/00/64/96/1194006496.db2.gz VPSGXNCFBMMUKH-UHFFFAOYSA-N 0 0 314.429 3.330 20 10 DGCDRN COCc1ccccc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001624796581 1194014854 /nfs/dbraw/zinc/01/48/54/1194014854.db2.gz IWMJLYFBRBMYEK-UHFFFAOYSA-N 0 0 312.329 3.248 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(F)cc2N)cc1 ZINC001625014059 1194026857 /nfs/dbraw/zinc/02/68/57/1194026857.db2.gz KMJGQOUFDZWNKW-UHFFFAOYSA-N 0 0 315.392 3.184 20 10 DGCDRN O=C(Nc1nc(CC(F)(F)F)cs1)C1=CC(=O)CS1 ZINC001625123565 1194033612 /nfs/dbraw/zinc/03/36/12/1194033612.db2.gz NPUHIBRULLEOFZ-UHFFFAOYSA-N 0 0 308.306 3.267 20 10 DGCDRN Cc1cnc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1C ZINC001625377670 1194047710 /nfs/dbraw/zinc/04/77/10/1194047710.db2.gz WBMHLGWTJQPRHE-UHFFFAOYSA-N 0 0 309.413 3.229 20 10 DGCDRN COc1cc(C)c(NC(=O)Cc2ccc(O)c(O)c2)c(C)c1C ZINC001627072357 1194109692 /nfs/dbraw/zinc/10/96/92/1194109692.db2.gz YAEGBNDPYNPNBU-UHFFFAOYSA-N 0 0 315.369 3.213 20 10 DGCDRN CCOc1ccc(Cl)c(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001628045347 1194156440 /nfs/dbraw/zinc/15/64/40/1194156440.db2.gz FZENFAXLVJFLNA-UHFFFAOYSA-N 0 0 321.760 3.331 20 10 DGCDRN Cc1ccccc1[C@@H]1C[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001628590341 1194187026 /nfs/dbraw/zinc/18/70/26/1194187026.db2.gz XMBWUZDWRFAOKJ-KBUFDJFCSA-N 0 0 309.365 3.092 20 10 DGCDRN Cn1ccc2ccc(C(=O)NCc3cc(Cl)ccc3O)cc21 ZINC001628679872 1194191348 /nfs/dbraw/zinc/19/13/48/1194191348.db2.gz BSFDLLCRPWBMEK-UHFFFAOYSA-N 0 0 314.772 3.467 20 10 DGCDRN COc1cccc(CNC(=O)NCc2cccc(Cl)c2O)c1 ZINC001628674231 1194191362 /nfs/dbraw/zinc/19/13/62/1194191362.db2.gz FIGXMMMERAEPLY-UHFFFAOYSA-N 0 0 320.776 3.054 20 10 DGCDRN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2C)sc1C=O ZINC001628860064 1194201198 /nfs/dbraw/zinc/20/11/98/1194201198.db2.gz JUCDHYRKPWFBMQ-UHFFFAOYSA-N 0 0 316.426 3.173 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC001629152987 1194216951 /nfs/dbraw/zinc/21/69/51/1194216951.db2.gz OEPTZKASRMIQEZ-OAHLLOKOSA-N 0 0 315.344 3.143 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CC[C@@H](C3CCCC3)C2)cc1 ZINC001629376360 1194229495 /nfs/dbraw/zinc/22/94/95/1194229495.db2.gz HFCXGUNAOKFEGV-QGZVFWFLSA-N 0 0 315.461 3.474 20 10 DGCDRN C[C@@H](NC(=O)NCc1cccc(Cl)c1O)c1ccccn1 ZINC001629421645 1194233090 /nfs/dbraw/zinc/23/30/90/1194233090.db2.gz XRMDRMUWAYPXEM-SNVBAGLBSA-N 0 0 305.765 3.001 20 10 DGCDRN O=C(NCCc1cccc(Cl)c1)N1Cc2cccc(O)c2C1 ZINC001629663886 1194245857 /nfs/dbraw/zinc/24/58/57/1194245857.db2.gz IQXZXAGRTBLPTE-UHFFFAOYSA-N 0 0 316.788 3.314 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCC2CC2)c1 ZINC001630235681 1194276026 /nfs/dbraw/zinc/27/60/26/1194276026.db2.gz GLZNIQILUVKJRI-UHFFFAOYSA-N 0 0 310.397 3.437 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cc(Cl)c(F)cc1N ZINC001631154475 1194321964 /nfs/dbraw/zinc/32/19/64/1194321964.db2.gz CLNDGTMIJSLPMD-UHFFFAOYSA-N 0 0 308.740 3.039 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H]1C(C)(C)C ZINC001631506347 1194338318 /nfs/dbraw/zinc/33/83/18/1194338318.db2.gz VIGIMUDIMFUPJR-INIZCTEOSA-N 0 0 303.450 3.391 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)C(C)(C)C2CCC2)cc1 ZINC001632049019 1194368671 /nfs/dbraw/zinc/36/86/71/1194368671.db2.gz IVZBILVRRAGVON-UHFFFAOYSA-N 0 0 318.461 3.416 20 10 DGCDRN C[C@@H](NC(=O)Cc1cccc2ncccc12)c1ccccc1O ZINC001632249980 1194379082 /nfs/dbraw/zinc/37/90/82/1194379082.db2.gz GHBZQRCAOYOERR-CYBMUJFWSA-N 0 0 306.365 3.360 20 10 DGCDRN C=C/C=C\CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001632399470 1194386742 /nfs/dbraw/zinc/38/67/42/1194386742.db2.gz VFRRQFXGFJANID-QGZUEGPWSA-N 0 0 301.386 3.032 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cccn2CC)cc1F ZINC001633264067 1194428695 /nfs/dbraw/zinc/42/86/95/1194428695.db2.gz TYGCEJAXDMLGCD-UHFFFAOYSA-N 0 0 317.408 3.423 20 10 DGCDRN Cc1ccc2n[nH]cc2c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001633315458 1194431224 /nfs/dbraw/zinc/43/12/24/1194431224.db2.gz QEDLCFACWULHEO-ZDUSSCGKSA-N 0 0 322.412 3.428 20 10 DGCDRN Cc1ccc(C(=O)NCc2cccc(O)c2O)c(F)c1Cl ZINC001633515681 1194440537 /nfs/dbraw/zinc/44/05/37/1194440537.db2.gz LOQSRHDYTFVAFG-UHFFFAOYSA-N 0 0 309.724 3.129 20 10 DGCDRN CCc1ccc(C(C)(C)C(=O)NCc2cc(O)ccc2O)cc1 ZINC001633599149 1194444986 /nfs/dbraw/zinc/44/49/86/1194444986.db2.gz QFBKPSGTIDIEON-UHFFFAOYSA-N 0 0 313.397 3.254 20 10 DGCDRN CCc1coc(NC(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC001633702894 1194451522 /nfs/dbraw/zinc/45/15/22/1194451522.db2.gz KGCYVUXZPJNNAU-UHFFFAOYSA-N 0 0 304.327 3.115 20 10 DGCDRN CC1(C)CC(CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC001634285694 1194484198 /nfs/dbraw/zinc/48/41/98/1194484198.db2.gz SHUDZNLWVHFIBY-UHFFFAOYSA-N 0 0 305.399 3.479 20 10 DGCDRN Cc1c([C@@H](C)[NH2+]Cc2cccc(Br)c2[O-])cnn1C ZINC000048797121 1194491651 /nfs/dbraw/zinc/49/16/51/1194491651.db2.gz VSAHEXJHMWFXNN-SECBINFHSA-N 0 0 324.222 3.047 20 10 DGCDRN Cc1cc(C(=O)N2CCn3ccnc32)c(C)n1-c1ccc(F)cc1 ZINC001635022833 1194528826 /nfs/dbraw/zinc/52/88/26/1194528826.db2.gz WHTINQURWWECSH-UHFFFAOYSA-N 0 0 324.359 3.090 20 10 DGCDRN COc1ccc(CNC(=O)Cc2ccc(C)c(Cl)c2)c(O)c1 ZINC001635042841 1194529695 /nfs/dbraw/zinc/52/96/95/1194529695.db2.gz UKCKILZATGBYBE-UHFFFAOYSA-N 0 0 319.788 3.222 20 10 DGCDRN CC[C@H](Oc1cccc(C)c1)C(=O)NCc1c(O)cccc1F ZINC001635360244 1194547096 /nfs/dbraw/zinc/54/70/96/1194547096.db2.gz FRMIZOMRMCJARK-KRWDZBQOSA-N 0 0 317.360 3.314 20 10 DGCDRN Cc1cccc(Cl)c1CC(=O)NCc1c(O)cccc1F ZINC001635367101 1194547564 /nfs/dbraw/zinc/54/75/64/1194547564.db2.gz YZNCQAVUPYWHDM-UHFFFAOYSA-N 0 0 307.752 3.352 20 10 DGCDRN Cc1nn(-c2ccccc2)cc1C(=O)N[C@H](C)c1ccccc1O ZINC001635794217 1194572689 /nfs/dbraw/zinc/57/26/89/1194572689.db2.gz ZVWJHQZUUSMDOX-CYBMUJFWSA-N 0 0 321.380 3.377 20 10 DGCDRN CCOc1c(F)cccc1C(=O)N[C@@H](C)c1ccccc1O ZINC001635798908 1194572738 /nfs/dbraw/zinc/57/27/38/1194572738.db2.gz HMQQFHODIVBNMM-NSHDSACASA-N 0 0 303.333 3.421 20 10 DGCDRN CCc1ccc(C(=O)N[C@@H](C)c2ccccc2O)cc1[N+](=O)[O-] ZINC001635799215 1194572829 /nfs/dbraw/zinc/57/28/29/1194572829.db2.gz UJEFMAXDITYBAI-NSHDSACASA-N 0 0 314.341 3.354 20 10 DGCDRN C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1F)c1ccccc1O ZINC001635793867 1194572859 /nfs/dbraw/zinc/57/28/59/1194572859.db2.gz LNWORMDUIQYZPY-VXGBXAGGSA-N 0 0 303.333 3.176 20 10 DGCDRN CC(C)[C@@H](Cc1ccccc1)C(=O)NCc1c(O)cccc1O ZINC001635847368 1194575696 /nfs/dbraw/zinc/57/56/96/1194575696.db2.gz MUZNTCPLJMWDSP-OAHLLOKOSA-N 0 0 313.397 3.229 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1ccc(F)c(O)c1 ZINC001635968912 1194583196 /nfs/dbraw/zinc/58/31/96/1194583196.db2.gz JGAPOTMQSRKLQA-UHFFFAOYSA-N 0 0 311.312 3.320 20 10 DGCDRN CCCCCC[C@H](O)CCC(=O)N1Cc2cccc(O)c2C1 ZINC001636230935 1194601282 /nfs/dbraw/zinc/60/12/82/1194601282.db2.gz KQYNRBQMZNCJLV-HNNXBMFYSA-N 0 0 305.418 3.346 20 10 DGCDRN O=C(c1ccnc(Cl)c1Cl)N1Cc2cccc(O)c2C1 ZINC001636231176 1194601322 /nfs/dbraw/zinc/60/13/22/1194601322.db2.gz URWIFMJBLDVROK-UHFFFAOYSA-N 0 0 309.152 3.250 20 10 DGCDRN Cc1ccc(-c2cc(C(=O)N3Cc4cccc(O)c4C3)[nH]n2)cc1 ZINC001636231075 1194601502 /nfs/dbraw/zinc/60/15/02/1194601502.db2.gz PMGXUJCDXXJWBM-UHFFFAOYSA-N 0 0 319.364 3.247 20 10 DGCDRN COc1c(F)cc(NC(=O)C2=CC(=O)CS2)c(OC)c1F ZINC001637005451 1194644890 /nfs/dbraw/zinc/64/48/90/1194644890.db2.gz MCMMLLVTJVNGKO-UHFFFAOYSA-N 0 0 315.297 3.001 20 10 DGCDRN O=C(/C=C/c1cccc(O)c1)NCc1cccc(Cl)c1O ZINC001637227188 1194657790 /nfs/dbraw/zinc/65/77/90/1194657790.db2.gz QOXYCXNYFKQSNS-BQYQJAHWSA-N 0 0 303.745 3.081 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1cc2ncccc2o1 ZINC001637232162 1194657923 /nfs/dbraw/zinc/65/79/23/1194657923.db2.gz LUEUAKMHCXXQRV-UHFFFAOYSA-N 0 0 302.717 3.117 20 10 DGCDRN CO/C(=C/c1ccccc1)C(=O)NCc1cccc(Cl)c1O ZINC001637227126 1194658237 /nfs/dbraw/zinc/65/82/37/1194658237.db2.gz ODFQDRPMGFJJKT-XNTDXEJSSA-N 0 0 317.772 3.349 20 10 DGCDRN Cc1cc(F)ccc1[C@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001637660247 1194680650 /nfs/dbraw/zinc/68/06/50/1194680650.db2.gz FHEJJPKRQMCBBK-LDJOOVGUSA-N 0 0 315.344 3.436 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1Cc2cncnc2C1 ZINC001637722040 1194683695 /nfs/dbraw/zinc/68/36/95/1194683695.db2.gz XUIIDRGRMJKISK-UHFFFAOYSA-N 0 0 324.409 3.102 20 10 DGCDRN O=C(CSc1ccccc1)NCc1ccc2cccnc2c1O ZINC001638569639 1194724607 /nfs/dbraw/zinc/72/46/07/1194724607.db2.gz JSRNOPHVZDEGRW-UHFFFAOYSA-N 0 0 324.405 3.349 20 10 DGCDRN COc1cccc(CNC(=O)N[C@H](C)c2ccc(F)cc2)c1O ZINC001638813545 1194738765 /nfs/dbraw/zinc/73/87/65/1194738765.db2.gz BKZRZFFVJPKIKP-LLVKDONJSA-N 0 0 318.348 3.100 20 10 DGCDRN CCN(CC)c1ccc(CNc2cc(C)nc(OC)n2)cc1 ZINC001639302067 1194759553 /nfs/dbraw/zinc/75/95/53/1194759553.db2.gz KOPFTBFCXIIGIE-UHFFFAOYSA-N 0 0 300.406 3.252 20 10 DGCDRN Cc1ccncc1CC(=O)NCc1c(O)ccc2ccccc21 ZINC001639387137 1194762794 /nfs/dbraw/zinc/76/27/94/1194762794.db2.gz FMMRIGVYIHCOGP-UHFFFAOYSA-N 0 0 306.365 3.108 20 10 DGCDRN CCn1cc(C(=O)NCc2ccc(O)cc2O)c2ccccc21 ZINC001639441339 1194766182 /nfs/dbraw/zinc/76/61/82/1194766182.db2.gz QPWIPDSDTJMILZ-UHFFFAOYSA-N 0 0 310.353 3.002 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)c1cccc2[nH]ccc21 ZINC001639621764 1194774320 /nfs/dbraw/zinc/77/43/20/1194774320.db2.gz SMICTEMOOWWMIS-UHFFFAOYSA-N 0 0 317.348 3.352 20 10 DGCDRN CCc1nccc(NCc2cccc(Br)c2O)n1 ZINC001639875040 1194785594 /nfs/dbraw/zinc/78/55/94/1194785594.db2.gz YSTLDSQISCENOI-UHFFFAOYSA-N 0 0 308.179 3.119 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC2(CCCCC2)CC1 ZINC001640052936 1194794155 /nfs/dbraw/zinc/79/41/55/1194794155.db2.gz ZRDDEOOIAHBLJS-UHFFFAOYSA-N 0 0 303.402 3.213 20 10 DGCDRN Cc1cc(F)cc(C(=O)NCc2cccc(Cl)c2O)c1N ZINC001640404468 1194811716 /nfs/dbraw/zinc/81/17/16/1194811716.db2.gz BEFDHOMLICHRET-UHFFFAOYSA-N 0 0 308.740 3.005 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)Nc1conc1C ZINC001640532099 1194818230 /nfs/dbraw/zinc/81/82/30/1194818230.db2.gz PHNWIBWFMMHRAS-UHFFFAOYSA-N 0 0 323.352 3.455 20 10 DGCDRN Cc1ncc(Br)cc1NC(=O)C1=CC(=O)CS1 ZINC001641201547 1194843587 /nfs/dbraw/zinc/84/35/87/1194843587.db2.gz KSZUGUPJEXASGD-UHFFFAOYSA-N 0 0 313.176 3.172 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CCC(=O)c2cccc(F)c2)c1 ZINC001641732984 1194868576 /nfs/dbraw/zinc/86/85/76/1194868576.db2.gz IWOAYFPDIFWUFP-UHFFFAOYSA-N 0 0 315.344 3.119 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2snc(Cl)c2Cl)c1 ZINC001641733090 1194868821 /nfs/dbraw/zinc/86/88/21/1194868821.db2.gz JFGWPCXNTHKWFR-UHFFFAOYSA-N 0 0 317.197 3.394 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCC1CCC2(CC2)CC1 ZINC001641829516 1194873634 /nfs/dbraw/zinc/87/36/34/1194873634.db2.gz DWRZERQZWVRWMH-RQOWECAXSA-N 0 0 301.386 3.198 20 10 DGCDRN CN(C)c1ccc(CN(C)c2nc3ccccc3nc2F)cc1 ZINC001641982605 1194882427 /nfs/dbraw/zinc/88/24/27/1194882427.db2.gz GYCGWRMLUXTAFA-UHFFFAOYSA-N 0 0 310.376 3.471 20 10 DGCDRN COC(=O)c1cnc(Sc2nc3ccc(F)cc3o2)s1 ZINC001642725764 1194932974 /nfs/dbraw/zinc/93/29/74/1194932974.db2.gz XGJAJMVISHAYAQ-UHFFFAOYSA-N 0 0 310.331 3.361 20 10 DGCDRN C[C@@H](NC(=O)c1c(F)c(F)cc(F)c1F)c1ccccc1O ZINC001642827554 1194943355 /nfs/dbraw/zinc/94/33/55/1194943355.db2.gz LBEYCYDGNLKTNR-SSDOTTSWSA-N 0 0 313.250 3.440 20 10 DGCDRN CC(=O)Nc1cccc(C(=O)N[C@H](C)c2ccccc2O)c1C ZINC001642827572 1194943397 /nfs/dbraw/zinc/94/33/97/1194943397.db2.gz LSAQMNRLQNJDOR-GFCCVEGCSA-N 0 0 312.369 3.150 20 10 DGCDRN Cc1onc(-c2cccnc2)c1C(=O)N[C@@H](C)c1ccccc1O ZINC001642831218 1194944413 /nfs/dbraw/zinc/94/44/13/1194944413.db2.gz SYXNGKZTGUTZAP-NSHDSACASA-N 0 0 323.352 3.242 20 10 DGCDRN C[C@H](NC(=O)/C=C\c1cnc2ccccc2n1)c1ccccc1O ZINC001642827804 1194944536 /nfs/dbraw/zinc/94/45/36/1194944536.db2.gz RFEGYXNUVDGGQE-OEYXZAGESA-N 0 0 319.364 3.226 20 10 DGCDRN C[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)c1ccccc1O ZINC001643063958 1194965157 /nfs/dbraw/zinc/96/51/57/1194965157.db2.gz ROCVKRGVMKLGSM-SNVBAGLBSA-N 0 0 310.313 3.417 20 10 DGCDRN CCO[C@@H]1C[C@@H]1C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001643366524 1195018693 /nfs/dbraw/zinc/01/86/93/1195018693.db2.gz PNILOUQHUWHMSQ-ZWKOTPCHSA-N 0 0 312.413 3.135 20 10 DGCDRN Cc1ccc(C(=O)N[C@H]2c3ccccc3CC[C@@H]2F)c(O)c1O ZINC001643473424 1195028033 /nfs/dbraw/zinc/02/80/33/1195028033.db2.gz QDCNIDPBMDLXLH-GJZGRUSLSA-N 0 0 315.344 3.162 20 10 DGCDRN C[C@H](NC(=O)C[C@H](O)c1ccc(Cl)cc1)c1ccccc1O ZINC001643745359 1195051209 /nfs/dbraw/zinc/05/12/09/1195051209.db2.gz MGTAEOHEAAUMPS-ZBEGNZNMSA-N 0 0 319.788 3.347 20 10 DGCDRN Cc1ccn(-c2ccc(C(=O)N[C@@H](C)c3ccccc3O)cc2)n1 ZINC001643742180 1195051868 /nfs/dbraw/zinc/05/18/68/1195051868.db2.gz RZWDRWZJABBOLK-AWEZNQCLSA-N 0 0 321.380 3.377 20 10 DGCDRN CCc1ccc([C@@H](C)CC(=O)NCc2cc(O)ccc2O)cc1 ZINC001643881921 1195060156 /nfs/dbraw/zinc/06/01/56/1195060156.db2.gz KOSNHEZXXWOBEV-ZDUSSCGKSA-N 0 0 313.397 3.470 20 10 DGCDRN CCCCc1ccc(CC(=O)NCc2cc(O)ccc2O)cc1 ZINC001643879190 1195060529 /nfs/dbraw/zinc/06/05/29/1195060529.db2.gz FBEOLUBLPLVVCU-UHFFFAOYSA-N 0 0 313.397 3.299 20 10 DGCDRN COC(=O)c1cc(OCc2ccc(F)cc2)ccc1N(C)C ZINC001644178587 1195087759 /nfs/dbraw/zinc/08/77/59/1195087759.db2.gz FZWUNGXMLPDNJQ-UHFFFAOYSA-N 0 0 303.333 3.257 20 10 DGCDRN C/C(=C/c1ccc(Cl)cc1)C(=O)NCc1cccc(O)c1O ZINC001644710826 1195129017 /nfs/dbraw/zinc/12/90/17/1195129017.db2.gz KOJPRBQQBDOQDI-LUAWRHEFSA-N 0 0 317.772 3.471 20 10 DGCDRN O=C(Nc1cnc2c(ccc(F)c2F)c1)c1cccc(O)c1O ZINC001644916246 1195142129 /nfs/dbraw/zinc/14/21/29/1195142129.db2.gz JFYNIEXQGVGQFZ-UHFFFAOYSA-N 0 0 316.263 3.177 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(O)cc1Cl ZINC001645312286 1195174040 /nfs/dbraw/zinc/17/40/40/1195174040.db2.gz CQOKKFAQWGRDMU-QHHAFSJGSA-N 0 0 305.717 3.109 20 10 DGCDRN O=C(C[C@H]1CCCC[C@@H]1O)NCc1c(O)ccc2ccccc21 ZINC001645440768 1195183386 /nfs/dbraw/zinc/18/33/86/1195183386.db2.gz NFUDOHHDDOLGNX-PBHICJAKSA-N 0 0 313.397 3.103 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1ccc2nonc2c1 ZINC001645443834 1195184484 /nfs/dbraw/zinc/18/44/84/1195184484.db2.gz WRUSWYHOESZGBZ-UHFFFAOYSA-N 0 0 319.320 3.012 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@H](C)c2c(F)cccc2F)c1 ZINC001645800476 1195201662 /nfs/dbraw/zinc/20/16/62/1195201662.db2.gz GJVMEPCGMNZUJM-LLVKDONJSA-N 0 0 305.324 3.399 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cccnc2C(F)(F)F)c1 ZINC001645800698 1195201731 /nfs/dbraw/zinc/20/17/31/1195201731.db2.gz OYPQYYUXQBSOGL-UHFFFAOYSA-N 0 0 310.275 3.044 20 10 DGCDRN Cc1nc(-c2ccccc2)[nH]c1C(=O)NCc1cc(C)ccc1O ZINC001645800720 1195201837 /nfs/dbraw/zinc/20/18/37/1195201837.db2.gz PUQDVQQJGNWOTD-UHFFFAOYSA-N 0 0 321.380 3.329 20 10 DGCDRN Cc1ccc(F)c(N)c1C(=O)NCc1cccc(Cl)c1O ZINC001647830202 1195256299 /nfs/dbraw/zinc/25/62/99/1195256299.db2.gz NIUBLUIGWGHKJS-UHFFFAOYSA-N 0 0 308.740 3.005 20 10 DGCDRN Cc1c[nH]c(CNC(=O)c2cc(C)n(-c3ccccc3C)c2C)n1 ZINC001647988398 1195269372 /nfs/dbraw/zinc/26/93/72/1195269372.db2.gz AIYRBHZOKGHCSV-UHFFFAOYSA-N 0 0 322.412 3.364 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@H](F)Cc1ccccc1 ZINC001648606427 1195313261 /nfs/dbraw/zinc/31/32/61/1195313261.db2.gz QLSIEWGDXCXDDY-CQSZACIVSA-N 0 0 307.752 3.243 20 10 DGCDRN Cc1ncccc1/C=C/C(=O)NCc1cccc(Cl)c1O ZINC001648605913 1195313285 /nfs/dbraw/zinc/31/32/85/1195313285.db2.gz DTDQKMJYGZKISV-BQYQJAHWSA-N 0 0 302.761 3.079 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2COc3ccc(Cl)cc32)c1 ZINC001650753526 1195378182 /nfs/dbraw/zinc/37/81/82/1195378182.db2.gz LACKYYYJAFNBMR-ZDUSSCGKSA-N 0 0 320.732 3.177 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1csc(C(F)(F)F)c1 ZINC001651225803 1195429479 /nfs/dbraw/zinc/42/94/79/1195429479.db2.gz YUZNUKWJZUJAQW-UHFFFAOYSA-N 0 0 317.288 3.108 20 10 DGCDRN COC1(OC)CC(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001651700687 1195499458 /nfs/dbraw/zinc/49/94/58/1195499458.db2.gz DGBZWDJCVJNZSH-UHFFFAOYSA-N 0 0 320.216 3.188 20 10 DGCDRN COC(=O)c1cc(NCc2cc(C)cc(OC)c2O)ccc1C ZINC001652077106 1195545237 /nfs/dbraw/zinc/54/52/37/1195545237.db2.gz BDRRFHREEIFSAX-UHFFFAOYSA-N 0 0 315.369 3.416 20 10 DGCDRN O=[N+]([O-])c1c2ccncc2ccc1N1Cc2cccc(O)c2C1 ZINC001652153259 1195554067 /nfs/dbraw/zinc/55/40/67/1195554067.db2.gz SUEIFDSGJUJUDW-UHFFFAOYSA-N 0 0 307.309 3.369 20 10 DGCDRN O=C(NCc1c(O)cccc1F)C1CCc2ccccc2CC1 ZINC001652298573 1195576619 /nfs/dbraw/zinc/57/66/19/1195576619.db2.gz MOFJMHVZZUJABF-UHFFFAOYSA-N 0 0 313.372 3.343 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1c[nH]c2ncccc12 ZINC001652705856 1195638532 /nfs/dbraw/zinc/63/85/32/1195638532.db2.gz PCJSCOOJEZLBOX-UHFFFAOYSA-N 0 0 317.348 3.352 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cc(Cl)no1 ZINC001652708782 1195638825 /nfs/dbraw/zinc/63/88/25/1195638825.db2.gz MVFDEEFZHYUXOH-UHFFFAOYSA-N 0 0 302.717 3.117 20 10 DGCDRN COc1cc(C)cc(CN2CCOc3cc(F)c(F)cc32)c1O ZINC001652754095 1195647247 /nfs/dbraw/zinc/64/72/47/1195647247.db2.gz HUPUSMSRFMJHDX-UHFFFAOYSA-N 0 0 321.323 3.386 20 10 DGCDRN COc1cc(C)cc(CNc2ccc3c(cc[nH]c3=O)c2)c1O ZINC001652797353 1195654303 /nfs/dbraw/zinc/65/43/03/1195654303.db2.gz QLMYUBFZAQZQNZ-UHFFFAOYSA-N 0 0 310.353 3.163 20 10 DGCDRN COC(=O)c1cnc(SCc2cccc([N+](=O)[O-])c2)s1 ZINC001652853303 1195661507 /nfs/dbraw/zinc/66/15/07/1195661507.db2.gz GNLGKKCHWLFZBR-UHFFFAOYSA-N 0 0 310.356 3.130 20 10 DGCDRN COc1cccc([C@H](C[NH2+]Cc2cc(F)c(F)cc2[O-])OC)c1 ZINC001652865449 1195664303 /nfs/dbraw/zinc/66/43/03/1195664303.db2.gz HAXIGRCTCAVALB-KRWDZBQOSA-N 0 0 323.339 3.156 20 10 DGCDRN COc1c([O-])c(C[NH2+]CCCc2ccsc2)ccc1[N+](=O)[O-] ZINC001653266626 1195704935 /nfs/dbraw/zinc/70/49/35/1195704935.db2.gz XEYBPBPQCFZWEH-UHFFFAOYSA-N 0 0 322.386 3.093 20 10 DGCDRN CCN(CCCNC(=O)OC(C)(C)C)c1ccc(OC)cc1 ZINC001653660941 1195742102 /nfs/dbraw/zinc/74/21/02/1195742102.db2.gz ARMKFZVWYWRXOH-UHFFFAOYSA-N 0 0 308.422 3.436 20 10 DGCDRN COc1ccc(N(CCc2ccc(C(N)=O)cc2)CC2CC2)cc1 ZINC001654494674 1195809236 /nfs/dbraw/zinc/80/92/36/1195809236.db2.gz BFQXHNQSQQQGLW-UHFFFAOYSA-N 0 0 324.424 3.253 20 10 DGCDRN COc1ccc(N(CCCCCNC(C)=O)CC(C)C)cc1 ZINC001654766802 1195837806 /nfs/dbraw/zinc/83/78/06/1195837806.db2.gz BEAAPTRKSLOUSH-UHFFFAOYSA-N 0 0 306.450 3.464 20 10 DGCDRN COc1ccc(N(CC(=O)Nc2ccccn2)CC(C)C)cc1 ZINC001654766812 1195838226 /nfs/dbraw/zinc/83/82/26/1195838226.db2.gz BKEUVTASEZTJQR-UHFFFAOYSA-N 0 0 313.401 3.191 20 10 DGCDRN C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1cccc(F)c1 ZINC001655546055 1195930520 /nfs/dbraw/zinc/93/05/20/1195930520.db2.gz MZJCLHSCBPZZTA-NSHDSACASA-N 0 0 304.321 3.333 20 10 DGCDRN Cc1noc(CCC[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])n1 ZINC001655574388 1195934209 /nfs/dbraw/zinc/93/42/09/1195934209.db2.gz MHLQUBAFSMWABI-UHFFFAOYSA-N 0 0 316.188 3.113 20 10 DGCDRN O=[N+]([O-])c1c(NCc2cc(Cl)ccc2O)nc2sccn21 ZINC001655646660 1195944940 /nfs/dbraw/zinc/94/49/40/1195944940.db2.gz FKFJVFSVCQPJQI-UHFFFAOYSA-N 0 0 324.749 3.275 20 10 DGCDRN CN(CCO)c1ccc(NCc2cc(Cl)cc(F)c2O)cc1 ZINC001655878122 1195972361 /nfs/dbraw/zinc/97/23/61/1195972361.db2.gz DXSRGWRZCJKZML-UHFFFAOYSA-N 0 0 324.783 3.225 20 10 DGCDRN CN(CC[NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccccc1 ZINC001656017202 1195988431 /nfs/dbraw/zinc/98/84/31/1195988431.db2.gz XVIFISBMDNKTEA-UHFFFAOYSA-N 0 0 308.784 3.411 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCC2Cc3ccccc3C2)c1 ZINC001656086833 1195998189 /nfs/dbraw/zinc/99/81/89/1195998189.db2.gz JHFHZBKGUQXYMC-UHFFFAOYSA-N 0 0 312.369 3.195 20 10 DGCDRN Cc1cc(O)c(CNc2cccc3c2CNC3=O)c(Cl)c1 ZINC001656214187 1196018669 /nfs/dbraw/zinc/01/86/69/1196018669.db2.gz MIUPGQIKZPRUEJ-UHFFFAOYSA-N 0 0 302.761 3.210 20 10 DGCDRN CCCCN1CCCC[C@H]1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001656395229 1196035657 /nfs/dbraw/zinc/03/56/57/1196035657.db2.gz LBVRXFPYIBWRRF-HNNXBMFYSA-N 0 0 312.404 3.415 20 10 DGCDRN CCCCN1CCCC[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001656395230 1196035682 /nfs/dbraw/zinc/03/56/82/1196035682.db2.gz LBVRXFPYIBWRRF-OAHLLOKOSA-N 0 0 312.404 3.415 20 10 DGCDRN C[C@@H]1CCC(F)(F)CN1Cc1ccc(N2CCOCC2)cc1 ZINC001656482568 1196043659 /nfs/dbraw/zinc/04/36/59/1196043659.db2.gz HRLWHBNVMHIREN-CQSZACIVSA-N 0 0 310.388 3.143 20 10 DGCDRN COC(=O)c1ccc(C(=O)CSc2ncc(Cl)s2)o1 ZINC001656766701 1196069871 /nfs/dbraw/zinc/06/98/71/1196069871.db2.gz MMOPBOBQNXWDHX-UHFFFAOYSA-N 0 0 317.775 3.151 20 10 DGCDRN CN(C)c1ccc(/C=C\CNc2ccc3c(c2)OCC(=O)N3)cc1 ZINC001656871815 1196076987 /nfs/dbraw/zinc/07/69/87/1196076987.db2.gz MEOGMPIZYBIHHC-ARJAWSKDSA-N 0 0 323.396 3.209 20 10 DGCDRN COc1ccc2c(c1)[C@H]([NH2+]Cc1cc(F)c(F)cc1[O-])CCO2 ZINC001657657878 1196166046 /nfs/dbraw/zinc/16/60/46/1196166046.db2.gz OYKRALJFKORIEK-OAHLLOKOSA-N 0 0 321.323 3.292 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@H](c1ccccc1)N(C)C ZINC001657843725 1196183558 /nfs/dbraw/zinc/18/35/58/1196183558.db2.gz KMODOHWILSFSAY-YVEFUNNKSA-N 0 0 320.383 3.451 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H](CO)CC1CCCC1 ZINC001657904346 1196192032 /nfs/dbraw/zinc/19/20/32/1196192032.db2.gz CODPXKCQAUPHOH-LBPRGKRZSA-N 0 0 301.789 3.216 20 10 DGCDRN CN(C)c1ccc(/C=C/CNc2cn(-c3ccccc3)nn2)cc1 ZINC001658188420 1196222426 /nfs/dbraw/zinc/22/24/26/1196222426.db2.gz BELYNDOCUALTOC-VOTSOKGWSA-N 0 0 319.412 3.459 20 10 DGCDRN CCn1nncc1CN1C[C@@H](C(C)C)Cc2cc(OC)ccc21 ZINC001658391440 1196250556 /nfs/dbraw/zinc/25/05/56/1196250556.db2.gz OUBKDHDRKPDZDX-HNNXBMFYSA-N 0 0 314.433 3.142 20 10 DGCDRN CC(C)[C@@H]([NH2+]Cc1cc(F)c(F)cc1[O-])C1(CO)CC=CC1 ZINC001658410844 1196253186 /nfs/dbraw/zinc/25/31/86/1196253186.db2.gz LQTLBJQDRJBATH-MRXNPFEDSA-N 0 0 311.372 3.113 20 10 DGCDRN CN(C)c1ccc(/C=C/CNc2ccc(CNC(N)=O)cc2)cc1 ZINC001658614232 1196281108 /nfs/dbraw/zinc/28/11/08/1196281108.db2.gz CHAYUEKNKMSTBU-ONEGZZNKSA-N 0 0 324.428 3.046 20 10 DGCDRN O=c1[nH]c2ccccc2cc1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001658786719 1196300739 /nfs/dbraw/zinc/30/07/39/1196300739.db2.gz YMQYCPXKSIIMCK-UHFFFAOYSA-N 0 0 316.307 3.214 20 10 DGCDRN C[C@]1(c2cccc(NCc3cccc(F)c3O)c2)COC(=O)N1 ZINC001658807289 1196303236 /nfs/dbraw/zinc/30/32/36/1196303236.db2.gz ZMHQIHIZZBZDPQ-QGZVFWFLSA-N 0 0 316.332 3.098 20 10 DGCDRN CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])C(C)C ZINC001659259587 1196364294 /nfs/dbraw/zinc/36/42/94/1196364294.db2.gz UOBOUFPLBWRVOR-DOMZBBRYSA-N 0 0 301.377 3.049 20 10 DGCDRN CCOCc1nc([C@H](C)NCc2cc(C(C)C)ccc2O)no1 ZINC001659342141 1196373678 /nfs/dbraw/zinc/37/36/78/1196373678.db2.gz BDMMKIUZSOMVLA-LBPRGKRZSA-N 0 0 319.405 3.286 20 10 DGCDRN COc1ccc2c(c1)CCCCN2C[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001659360022 1196374543 /nfs/dbraw/zinc/37/45/43/1196374543.db2.gz NIKHLKUDMHGSCL-MAUKXSAKSA-N 0 0 311.429 3.375 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1ccc2oc(=O)oc2c1 ZINC001659382312 1196377381 /nfs/dbraw/zinc/37/73/81/1196377381.db2.gz BWMMVUSHXHPXMG-UHFFFAOYSA-N 0 0 311.337 3.347 20 10 DGCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@@]1(OC)CCOC1 ZINC001659493168 1196388492 /nfs/dbraw/zinc/38/84/92/1196388492.db2.gz YTXORUSYTOOXSE-LPHOPBHVSA-N 0 0 319.445 3.135 20 10 DGCDRN CC(C)OC[C@H]1CN(Cc2cc(C(C)C)ccc2O)CCO1 ZINC001659509632 1196390023 /nfs/dbraw/zinc/39/00/23/1196390023.db2.gz DUUCKNDPKQZGHO-QGZVFWFLSA-N 0 0 307.434 3.141 20 10 DGCDRN Cc1cccc2c1C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])CO2 ZINC001659711618 1196408185 /nfs/dbraw/zinc/40/81/85/1196408185.db2.gz WTRGGRNTTLZKKN-GFCCVEGCSA-N 0 0 305.324 3.072 20 10 DGCDRN COc1ccc(O)c(CNc2cccc(NC(=O)N(C)C)c2)c1 ZINC001659812555 1196416491 /nfs/dbraw/zinc/41/64/91/1196416491.db2.gz PDFUOOCBKQEQLZ-UHFFFAOYSA-N 0 0 315.373 3.106 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC001659831946 1196419576 /nfs/dbraw/zinc/41/95/76/1196419576.db2.gz CGCBQTBNUVZHSW-WBVHZDCISA-N 0 0 305.324 3.290 20 10 DGCDRN CCOC(=O)[C@@H](CCCC(C)C)NCc1cccc(F)c1O ZINC001659991951 1196435504 /nfs/dbraw/zinc/43/55/04/1196435504.db2.gz CYPMJNJBJUZUBW-OAHLLOKOSA-N 0 0 311.397 3.379 20 10 DGCDRN COc1ccc(N(C)CC2(CNC(=O)OC(C)(C)C)CC2)cc1 ZINC001660195501 1196456355 /nfs/dbraw/zinc/45/63/55/1196456355.db2.gz VFMJQHATCITMKO-UHFFFAOYSA-N 0 0 320.433 3.436 20 10 DGCDRN CCOC(=O)C(CC)(CC)C[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001660423613 1196481713 /nfs/dbraw/zinc/48/17/13/1196481713.db2.gz QLCQIQYXJNWPOG-UHFFFAOYSA-N 0 0 315.360 3.130 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC001660763710 1196520731 /nfs/dbraw/zinc/52/07/31/1196520731.db2.gz GNRAHFKHIKSCKM-UHFFFAOYSA-N 0 0 309.724 3.203 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCOc1ccc2c(c1)CCC2 ZINC001661070916 1196561791 /nfs/dbraw/zinc/56/17/91/1196561791.db2.gz VUSROMFHYXHJHN-UHFFFAOYSA-N 0 0 319.351 3.328 20 10 DGCDRN CC(=O)Nc1ccc(NCc2ccc(N3CCCC3)cc2)nc1 ZINC001662193938 1196693053 /nfs/dbraw/zinc/69/30/53/1196693053.db2.gz HGTFVLKNXOGNMF-UHFFFAOYSA-N 0 0 310.401 3.252 20 10 DGCDRN Cc1cc(O)c(C[NH2+]C[C@@H]2CCN2C2CCCC2)c(Cl)c1 ZINC001663015282 1196783442 /nfs/dbraw/zinc/78/34/42/1196783442.db2.gz BVSWBFJBYKOFHE-AWEZNQCLSA-N 0 0 308.853 3.461 20 10 DGCDRN COc1cncc(NCc2c(O)cccc2Br)c1 ZINC001663025144 1196785618 /nfs/dbraw/zinc/78/56/18/1196785618.db2.gz HOKDEWOHTSZQQC-UHFFFAOYSA-N 0 0 309.163 3.170 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1cc(F)cc(F)c1O ZINC001664189826 1196978722 /nfs/dbraw/zinc/97/87/22/1196978722.db2.gz HYJIWYHPXZVVME-UHFFFAOYSA-N 0 0 320.339 3.135 20 10 DGCDRN Cn1cc([C@H](NCc2ccc(Cl)cc2O)C(F)(F)F)cn1 ZINC001664639709 1197024142 /nfs/dbraw/zinc/02/41/42/1197024142.db2.gz GWXPFAJFBMGNFJ-LBPRGKRZSA-N 0 0 319.714 3.172 20 10 DGCDRN Cc1ccc(CN([C@@H](C)C(=O)OC(C)(C)C)C2CC2)c(O)c1 ZINC001664978921 1197082354 /nfs/dbraw/zinc/08/23/54/1197082354.db2.gz MFMNQSYUXFMZNG-ZDUSSCGKSA-N 0 0 305.418 3.395 20 10 DGCDRN COc1ccc(N(C)Cc2c(OC)cc(F)cc2OC)cc1 ZINC001665167741 1197104250 /nfs/dbraw/zinc/10/42/50/1197104250.db2.gz IHOGWUTXVCBTPS-UHFFFAOYSA-N 0 0 305.349 3.488 20 10 DGCDRN COc1ccc2c(c1)C[C@H]([NH2+]Cc1c([O-])cccc1F)CC2 ZINC001665712386 1197179607 /nfs/dbraw/zinc/17/96/07/1197179607.db2.gz NKABFBOENUYPFN-CQSZACIVSA-N 0 0 301.361 3.187 20 10 DGCDRN COc1ccc(NC(=O)NCc2cccc(Cl)c2O)cc1 ZINC001667104339 1197318404 /nfs/dbraw/zinc/31/84/04/1197318404.db2.gz XFVNOSOZDCIJES-UHFFFAOYSA-N 0 0 306.749 3.376 20 10 DGCDRN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001687605766 1197324390 /nfs/dbraw/zinc/32/43/90/1197324390.db2.gz PBJZWQPTDQBQNY-WCZJQEMASA-N 0 0 315.461 3.186 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N[C@@H]3C[C@H]3C3CCC3)ccc21 ZINC001667588648 1197365661 /nfs/dbraw/zinc/36/56/61/1197365661.db2.gz PYUDPWPIMHUPAY-DLBZAZTESA-N 0 0 313.445 3.057 20 10 DGCDRN COc1cc(F)cc(NC(=O)N2Cc3cccc(O)c3C2)c1 ZINC001669917871 1197504062 /nfs/dbraw/zinc/50/40/62/1197504062.db2.gz GITUTJIEVPYRSZ-UHFFFAOYSA-N 0 0 302.305 3.088 20 10 DGCDRN Cc1nc2c(cccc2NC(=O)N2Cc3cccc(O)c3C2)o1 ZINC001669992723 1197514295 /nfs/dbraw/zinc/51/42/95/1197514295.db2.gz CRDFJHTYEBAWHN-UHFFFAOYSA-N 0 0 309.325 3.390 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H](C)C1CCC1 ZINC001671294997 1197534079 /nfs/dbraw/zinc/53/40/79/1197534079.db2.gz ZPTLQQIUXFPGBF-HUUCEWRRSA-N 0 0 317.477 3.480 20 10 DGCDRN CCc1cc(NC(=O)NCc2ccccc2O)c2ccccc2n1 ZINC001671976110 1197589021 /nfs/dbraw/zinc/58/90/21/1197589021.db2.gz SUXSWROYZKVYQR-UHFFFAOYSA-N 0 0 321.380 3.246 20 10 DGCDRN CC[C@@H]1C[C@H]1NC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001672441070 1197612024 /nfs/dbraw/zinc/61/20/24/1197612024.db2.gz LXXKLMQIIBAGTR-TZMCWYRMSA-N 0 0 321.384 3.316 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)N1CCCC1 ZINC001672949371 1197630637 /nfs/dbraw/zinc/63/06/37/1197630637.db2.gz XNFAVRHQMDZECW-UHFFFAOYSA-N 0 0 307.357 3.024 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)C[C@@H]2CNc3ccccc32)cc1 ZINC000325217874 1197694052 /nfs/dbraw/zinc/69/40/52/1197694052.db2.gz NRUJUJSKHXSVPK-MRXNPFEDSA-N 0 0 323.440 3.310 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1cnn2ccccc12 ZINC001673824313 1197695418 /nfs/dbraw/zinc/69/54/18/1197695418.db2.gz QYPOKJTXLUZYIQ-UHFFFAOYSA-N 0 0 323.400 3.030 20 10 DGCDRN C[C@H](NC(=O)Nc1cnc(F)c(Cl)c1)c1ccccc1O ZINC001674595923 1197799452 /nfs/dbraw/zinc/79/94/52/1197799452.db2.gz GFYYZUNHNHKKAN-QMMMGPOBSA-N 0 0 309.728 3.462 20 10 DGCDRN COc1ncc(C)cc1NC(=O)NCc1cc(Cl)ccc1O ZINC001675193591 1198003424 /nfs/dbraw/zinc/00/34/24/1198003424.db2.gz OOSPFYPGBMLSHC-UHFFFAOYSA-N 0 0 321.764 3.079 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCCc2ccccc2Cl)c1 ZINC001676166617 1198238366 /nfs/dbraw/zinc/23/83/66/1198238366.db2.gz WVZCTFIRVVRRFZ-UHFFFAOYSA-N 0 0 318.804 3.396 20 10 DGCDRN O=C(NCc1c(O)cccc1F)N[C@@H]1CCc2cc(F)ccc21 ZINC001676529480 1198342815 /nfs/dbraw/zinc/34/28/15/1198342815.db2.gz JUAVHDJMTBCURT-OAHLLOKOSA-N 0 0 318.323 3.157 20 10 DGCDRN O=C(NCc1c(O)cccc1F)N[C@H]1CCc2ccc(F)cc21 ZINC001677287534 1198509535 /nfs/dbraw/zinc/50/95/35/1198509535.db2.gz FFXIXOWDNYHPHC-HNNXBMFYSA-N 0 0 318.323 3.157 20 10 DGCDRN C[C@H]1C[C@H]1CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001677786808 1198588343 /nfs/dbraw/zinc/58/83/43/1198588343.db2.gz BEPZHDTZSXQQQI-HOCLYGCPSA-N 0 0 301.434 3.084 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC1(CC(C)C)CC1 ZINC001678956345 1198744461 /nfs/dbraw/zinc/74/44/61/1198744461.db2.gz BQJCIPZJQMIZPA-UHFFFAOYSA-N 0 0 303.450 3.439 20 10 DGCDRN CC[C@@H](C)[C@H](C)NC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001679436080 1198794089 /nfs/dbraw/zinc/79/40/89/1198794089.db2.gz UMKZEJCZYPVGEM-CABCVRRESA-N 0 0 321.465 3.207 20 10 DGCDRN CC[C@H]1CCN(C(=O)NCCCSc2nccs2)[C@@H]1C ZINC001680425354 1198879548 /nfs/dbraw/zinc/87/95/48/1198879548.db2.gz XXNJJVXJSIEJHJ-NEPJUHHUSA-N 0 0 313.492 3.455 20 10 DGCDRN CC[C@@H]1CCCC[C@@H]1CNC(=O)NCc1cccc(OC)c1O ZINC001681591790 1199040764 /nfs/dbraw/zinc/04/07/64/1199040764.db2.gz KNURERYNUPDXRR-ZIAGYGMSSA-N 0 0 320.433 3.416 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCCC[C@@H]1F ZINC001682433662 1199160782 /nfs/dbraw/zinc/16/07/82/1199160782.db2.gz CKJXYRHYRSUOJJ-DLBZAZTESA-N 0 0 319.424 3.367 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CCCC12CC2 ZINC001683237994 1199251112 /nfs/dbraw/zinc/25/11/12/1199251112.db2.gz BRFRLZQHMBLAPN-QGZVFWFLSA-N 0 0 314.429 3.403 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(C2CC2)CC1 ZINC001684305451 1199373881 /nfs/dbraw/zinc/37/38/81/1199373881.db2.gz HEBCGPHHULXKNH-UHFFFAOYSA-N 0 0 315.461 3.393 20 10 DGCDRN O=C(NCc1c(O)cccc1F)N[C@@H]1CCc2c1cccc2F ZINC001685347405 1199466980 /nfs/dbraw/zinc/46/69/80/1199466980.db2.gz XUZLHSGUHZSDFH-OAHLLOKOSA-N 0 0 318.323 3.157 20 10 DGCDRN CCN(c1nnc(C)n1Cc1ccc(N(C)C)c(F)c1)C(C)C ZINC001766425780 1199800333 /nfs/dbraw/zinc/80/03/33/1199800333.db2.gz DEUSZJMZZGTFPL-UHFFFAOYSA-N 0 0 319.428 3.075 20 10 DGCDRN Cc1cc(NS(=O)(=O)c2ccc(F)cc2C)c(C)cc1O ZINC000235895742 1202605015 /nfs/dbraw/zinc/60/50/15/1202605015.db2.gz LINLLSVJPUMJPK-UHFFFAOYSA-N 0 0 309.362 3.257 20 10 DGCDRN Cc1cc(NS(=O)(=O)c2cccc(Cl)c2)c(C)cc1O ZINC000235897483 1202605032 /nfs/dbraw/zinc/60/50/32/1202605032.db2.gz RFXTZSIHVNHFRR-UHFFFAOYSA-N 0 0 311.790 3.463 20 10 DGCDRN CCc1cccc(C[N@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1O ZINC001593642160 953654441 /nfs/dbraw/zinc/65/44/41/953654441.db2.gz HKVUJTOGQIGHJL-KRWDZBQOSA-N 0 0 311.381 3.139 20 10 DGCDRN CN(C)c1ccc(/C=C\C[NH2+]Cc2ccc(C(=O)[O-])cc2)cc1 ZINC001593709014 954172208 /nfs/dbraw/zinc/17/22/08/954172208.db2.gz PCZGTJBHSBMQFP-ARJAWSKDSA-N 0 0 310.397 3.254 20 10 DGCDRN CC(C)C[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)C(=O)[O-] ZINC001118085798 957158084 /nfs/dbraw/zinc/15/80/84/957158084.db2.gz LUXDCWFXIIJMOK-MRXNPFEDSA-N 0 0 304.434 3.123 20 10 DGCDRN COc1cc(C[NH2+]CCCCC(=O)[O-])c(O)c(C(C)(C)C)c1 ZINC001594058216 958058128 /nfs/dbraw/zinc/05/81/28/958058128.db2.gz DYCAHHFPQVDQMN-UHFFFAOYSA-N 0 0 309.406 3.043 20 10 DGCDRN COc1cc(C[NH2+]C[C@H](C(=O)[O-])C(C)C)c(O)c(C(C)(C)C)c1 ZINC001594058378 958061513 /nfs/dbraw/zinc/06/15/13/958061513.db2.gz SEEGFYKOSSDYMA-AWEZNQCLSA-N 0 0 323.433 3.145 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001605187129 972903522 /nfs/dbraw/zinc/90/35/22/972903522.db2.gz OLZADCVCGFUURF-QGZVFWFLSA-N 0 0 316.376 3.116 20 10 DGCDRN CC(C)SCC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001591823901 976079913 /nfs/dbraw/zinc/07/99/13/976079913.db2.gz PZLKQFSGBOYMIU-UHFFFAOYSA-N 0 0 317.838 3.074 20 10 DGCDRN CCC[C@](C)([NH2+]Cc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC001595560080 981445450 /nfs/dbraw/zinc/44/54/50/981445450.db2.gz SGDONYJEOLIWMP-SFHVURJKSA-N 0 0 304.434 3.410 20 10 DGCDRN CCCN(Cc1csc(C(=O)[O-])c1)c1ccc(C[NH3+])cc1 ZINC001595891056 982923932 /nfs/dbraw/zinc/92/39/32/982923932.db2.gz KRJWCMMYIZVXSS-UHFFFAOYSA-N 0 0 304.415 3.322 20 10 DGCDRN CCCc1nc(C)c(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)o1 ZINC001596083800 983406713 /nfs/dbraw/zinc/40/67/13/983406713.db2.gz VJKAQWPNEDQAJW-SNVBAGLBSA-N 0 0 318.373 3.190 20 10 DGCDRN CCN(C)c1ccc(C[NH2+][C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001596194812 983577750 /nfs/dbraw/zinc/57/77/50/983577750.db2.gz RYYOCXWVBGRVGE-KRWDZBQOSA-N 0 0 304.434 3.266 20 10 DGCDRN CSCCCC[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001599798860 988141868 /nfs/dbraw/zinc/14/18/68/988141868.db2.gz CESKNDYZUQGGDC-UHFFFAOYSA-N 0 0 324.421 3.248 20 10 DGCDRN CCc1cccc(C[N@@H+]2CCc3c(cccc3C(=O)[O-])C2)c1O ZINC001597586756 988404712 /nfs/dbraw/zinc/40/47/12/988404712.db2.gz JQXFSROVGUOLHU-UHFFFAOYSA-N 0 0 311.381 3.211 20 10 DGCDRN CN(C)c1ccc(C[N@H+](Cc2ccoc2C(=O)[O-])C2CC2)cc1 ZINC001598317714 991307138 /nfs/dbraw/zinc/30/71/38/991307138.db2.gz KKKBLBKHDZUZJE-UHFFFAOYSA-N 0 0 314.385 3.208 20 10 DGCDRN CN(C)c1ccc(C[N@H+](C)Cc2ccc(/C=C\C(=O)[O-])o2)cc1 ZINC001598519189 992657308 /nfs/dbraw/zinc/65/73/08/992657308.db2.gz JVGVELDLKZRGTG-KHPPLWFESA-N 0 0 314.385 3.075 20 10 DGCDRN Cn1c2ccc(F)cc2c(C[N@H+](C)Cc2ccoc2)c1C(=O)[O-] ZINC001598532521 992800535 /nfs/dbraw/zinc/80/05/35/992800535.db2.gz WXWHMLCOJCVONX-UHFFFAOYSA-N 0 0 316.332 3.241 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+](CC(=O)[O-])CC(C)C)c2c1 ZINC001599636298 994293813 /nfs/dbraw/zinc/29/38/13/994293813.db2.gz MVSTUHJIRONEDN-UHFFFAOYSA-N 0 0 317.385 3.097 20 10 DGCDRN COc1cc(C)cc(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)c1 ZINC001599392699 997066772 /nfs/dbraw/zinc/06/67/72/997066772.db2.gz SKORFMURTNYGDQ-LBPRGKRZSA-N 0 0 315.369 3.258 20 10 DGCDRN COCc1ccc(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)cc1 ZINC001599293029 997093708 /nfs/dbraw/zinc/09/37/08/997093708.db2.gz AQJSIBILBQCEQD-LBPRGKRZSA-N 0 0 315.369 3.088 20 10 DGCDRN COCC[C@@H]([NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O)c1ccco1 ZINC001599219132 997634700 /nfs/dbraw/zinc/63/47/00/997634700.db2.gz WPBWLDHDZBGMPD-BXUZGUMPSA-N 0 0 319.357 3.112 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(O)ccc1C ZINC001625794010 1081623310 /nfs/dbraw/zinc/62/33/10/1081623310.db2.gz AXSMQHRQVFYAFI-UHFFFAOYSA-N 0 0 312.413 3.429 20 10 DGCDRN Oc1ccc(CNc2ccnc(CCc3ccccc3)n2)cc1O ZINC001169993278 1081804884 /nfs/dbraw/zinc/80/48/84/1081804884.db2.gz QYIWHIJAYSHCDT-UHFFFAOYSA-N 0 0 321.380 3.285 20 10 DGCDRN Cc1ccnc(NCc2ccc(O)c(O)c2)c1Br ZINC001169993328 1081805956 /nfs/dbraw/zinc/80/59/56/1081805956.db2.gz UBBDVRIKSDJAGN-UHFFFAOYSA-N 0 0 309.163 3.176 20 10 DGCDRN O=c1[nH]c(NCc2ccc(O)c(O)c2)c(Cl)cc1Cl ZINC001169994101 1081811049 /nfs/dbraw/zinc/81/10/49/1081811049.db2.gz ZAZGOBSOUPABPL-UHFFFAOYSA-N 0 0 301.129 3.117 20 10 DGCDRN CC1(C)NC(=O)Nc2cc(NCc3ccc(O)c(O)c3)ccc21 ZINC001169996918 1081819951 /nfs/dbraw/zinc/81/99/51/1081819951.db2.gz MJTHHLJQVQXSBI-UHFFFAOYSA-N 0 0 313.357 3.080 20 10 DGCDRN Oc1ccc(CNc2cccnc2OCC(F)(F)F)cc1O ZINC001169996892 1081820169 /nfs/dbraw/zinc/82/01/69/1081820169.db2.gz LMUFJKUPPKXYQH-UHFFFAOYSA-N 0 0 314.263 3.046 20 10 DGCDRN COc1cccc(CC(=O)NCc2cc(C)ccc2O)c1Cl ZINC001167293578 1081912938 /nfs/dbraw/zinc/91/29/38/1081912938.db2.gz JZHDECQEDJEUIC-UHFFFAOYSA-N 0 0 319.788 3.222 20 10 DGCDRN COc1ccc2cc(C(=O)NCc3cc(C)ccc3O)cnc2c1 ZINC001167293767 1081913459 /nfs/dbraw/zinc/91/34/59/1081913459.db2.gz RRLOGGQWBYIGDP-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(Br)nc1)c1ccccc1O ZINC001648890055 1081954449 /nfs/dbraw/zinc/95/44/49/1081954449.db2.gz XWGGVYHMTCHEFH-SECBINFHSA-N 0 0 321.174 3.041 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1-c1ncco1 ZINC001167441192 1082131759 /nfs/dbraw/zinc/13/17/59/1082131759.db2.gz ZHWACFTUQIIIGV-SOFGYWHQSA-N 0 0 322.320 3.405 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc2cccnc21 ZINC000588403809 1082147611 /nfs/dbraw/zinc/14/76/11/1082147611.db2.gz RIIKAQUKEGEFQK-CLFYSBASSA-N 0 0 306.321 3.298 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc(F)c(Cl)c1 ZINC000588404597 1082148309 /nfs/dbraw/zinc/14/83/09/1082148309.db2.gz ZBAXBTDAOBPSOF-UTCJRWHESA-N 0 0 321.735 3.220 20 10 DGCDRN C[C@H](c1ccccc1F)N(C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588404383 1082148433 /nfs/dbraw/zinc/14/84/33/1082148433.db2.gz OZXKCLTYDYBWQV-VPUINMBXSA-N 0 0 315.344 3.470 20 10 DGCDRN CCOc1ccccc1N(C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588408623 1082163373 /nfs/dbraw/zinc/16/33/73/1082163373.db2.gz PWQZHMXPBXNETD-LUAWRHEFSA-N 0 0 313.353 3.173 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCc2cc(F)ccc21 ZINC000588408148 1082163595 /nfs/dbraw/zinc/16/35/95/1082163595.db2.gz VLCVBQREUCCNPK-SDHLOXDLSA-N 0 0 313.328 3.054 20 10 DGCDRN C[C@@H](CN1CCC[C@H](C)C1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001648914185 1082336782 /nfs/dbraw/zinc/33/67/82/1082336782.db2.gz PVUGWYILPCLHCI-RYUDHWBXSA-N 0 0 314.832 3.395 20 10 DGCDRN O=C(CNc1cc2cc(F)ccc2cn1)c1ccc(O)c(O)c1 ZINC001170317088 1082345543 /nfs/dbraw/zinc/34/55/43/1082345543.db2.gz YKUCLYOZERDTLJ-UHFFFAOYSA-N 0 0 312.300 3.080 20 10 DGCDRN O=C(/C=C\c1ccc(O)cc1)NCc1c(O)ccc2c1CCCC2 ZINC000588468890 1082400694 /nfs/dbraw/zinc/40/06/94/1082400694.db2.gz SFFKOHOUGCGRGK-GHXNOFRVSA-N 0 0 323.392 3.306 20 10 DGCDRN Cc1ncsc1/C=C/C(=O)N1CCOc2c(F)cc(F)cc21 ZINC001130421492 1082579226 /nfs/dbraw/zinc/57/92/26/1082579226.db2.gz XCWGAZFDEZACQZ-NSCUHMNNSA-N 0 0 322.336 3.169 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCC(C)(C)C2)cc1 ZINC001130745459 1082610577 /nfs/dbraw/zinc/61/05/77/1082610577.db2.gz XQLADTVUWJXIKO-OAHLLOKOSA-N 0 0 318.461 3.416 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCC(C)(C)C2)cc1 ZINC001130745458 1082610899 /nfs/dbraw/zinc/61/08/99/1082610899.db2.gz XQLADTVUWJXIKO-HNNXBMFYSA-N 0 0 318.461 3.416 20 10 DGCDRN COc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1SC ZINC001299165199 1082714001 /nfs/dbraw/zinc/71/40/01/1082714001.db2.gz AGJZPPZHLDBXAZ-UHFFFAOYSA-N 0 0 319.382 3.010 20 10 DGCDRN C/C(=C\C(=O)N(C)c1cccc2ncccc21)c1cnccn1 ZINC001267368548 1082838135 /nfs/dbraw/zinc/83/81/35/1082838135.db2.gz TWAVOLYDEXLIHL-ACCUITESSA-N 0 0 304.353 3.091 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C[C@H](C)O1 ZINC000694871981 1083151040 /nfs/dbraw/zinc/15/10/40/1083151040.db2.gz SDXURZIWWVKYMN-MNOVXSKESA-N 0 0 314.223 3.154 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1C[C@H]1C1CCCC1 ZINC001181441638 1083475851 /nfs/dbraw/zinc/47/58/51/1083475851.db2.gz HVRKLWKCXHEQGN-MSSSOJMCSA-N 0 0 301.386 3.054 20 10 DGCDRN CCN(C)C(=O)c1cccc(NCc2cc(F)c(F)cc2O)c1 ZINC001181612035 1083501144 /nfs/dbraw/zinc/50/11/44/1083501144.db2.gz SDLQIBITRAWGRW-UHFFFAOYSA-N 0 0 320.339 3.374 20 10 DGCDRN CCc1cccc(CNc2ccc(F)c(NC(=O)NC)c2)c1O ZINC001181672861 1083512885 /nfs/dbraw/zinc/51/28/85/1083512885.db2.gz INSGENVPPXCOJG-UHFFFAOYSA-N 0 0 317.364 3.457 20 10 DGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(=O)[nH]n2)cc1 ZINC001181725665 1083523342 /nfs/dbraw/zinc/52/33/42/1083523342.db2.gz MQOPTTHAVBPALQ-UHFFFAOYSA-N 0 0 320.352 3.068 20 10 DGCDRN O=C([C@@H]1CCc2ccccc21)N1CCCc2cc(O)c(O)cc2C1 ZINC001181760223 1083531517 /nfs/dbraw/zinc/53/15/17/1083531517.db2.gz MMSNZNPFLZSOBZ-QGZVFWFLSA-N 0 0 323.392 3.103 20 10 DGCDRN CCC1(CC)C[C@@H]1C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001181882272 1083557907 /nfs/dbraw/zinc/55/79/07/1083557907.db2.gz HBEDVBMBDOKBDZ-CQSZACIVSA-N 0 0 303.402 3.199 20 10 DGCDRN CO[C@@H](C[NH2+]Cc1cc(F)c(F)cc1[O-])Cc1ccccc1 ZINC001181901105 1083576268 /nfs/dbraw/zinc/57/62/68/1083576268.db2.gz PTWHQUUUBXXXRP-CQSZACIVSA-N 0 0 307.340 3.018 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCOC(C)(C)C1 ZINC001182025808 1083607924 /nfs/dbraw/zinc/60/79/24/1083607924.db2.gz PSVCVOZZNMMXMN-INIZCTEOSA-N 0 0 318.461 3.306 20 10 DGCDRN C[C@H]1C[C@@H](NC(=O)CCc2ccc(O)c(O)c2)c2ccccc21 ZINC001182155837 1083634826 /nfs/dbraw/zinc/63/48/26/1083634826.db2.gz RWGAQCHOSMWSKS-BLLLJJGKSA-N 0 0 311.381 3.395 20 10 DGCDRN O=C(CCc1ccc(O)c(O)c1)NCc1ccccc1C1CC1 ZINC001182155430 1083635023 /nfs/dbraw/zinc/63/50/23/1083635023.db2.gz ICWQPYVEKYMLDU-UHFFFAOYSA-N 0 0 311.381 3.224 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2cccn2C)C1 ZINC001203264789 1083722218 /nfs/dbraw/zinc/72/22/18/1083722218.db2.gz AXRHINWMNQCFGF-UHFFFAOYSA-N 0 0 309.413 3.084 20 10 DGCDRN COc1cc(CN(C)[C@H](C2CCC2)C(F)(F)F)cc(O)c1O ZINC001204346554 1083753086 /nfs/dbraw/zinc/75/30/86/1083753086.db2.gz VBMKOFQIPTXUEW-CQSZACIVSA-N 0 0 319.323 3.269 20 10 DGCDRN CC(C)(C)[C@H](O)C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001182744343 1083794318 /nfs/dbraw/zinc/79/43/18/1083794318.db2.gz VHSHASUWBPDAAG-QGZVFWFLSA-N 0 0 312.413 3.209 20 10 DGCDRN CC(C)(C)OC(=O)[C@]1(C)CCCN1Cc1cccc(F)c1O ZINC001183179530 1083889128 /nfs/dbraw/zinc/88/91/28/1083889128.db2.gz FYVYIXIJHXSCBX-KRWDZBQOSA-N 0 0 309.381 3.228 20 10 DGCDRN CC1(C)CC[C@@H](CO)[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001183512148 1083965166 /nfs/dbraw/zinc/96/51/66/1083965166.db2.gz YXKWDGCAJLRSKA-LBPRGKRZSA-N 0 0 301.789 3.168 20 10 DGCDRN CCOC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203580319 1084086539 /nfs/dbraw/zinc/08/65/39/1084086539.db2.gz MWWGNHGWGNGIPW-SECBINFHSA-N 0 0 318.200 3.084 20 10 DGCDRN CC[C@@](C)(O)CC(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001184268355 1084140349 /nfs/dbraw/zinc/14/03/49/1084140349.db2.gz XYELXJLXTBPLEF-PKOBYXMFSA-N 0 0 319.445 3.300 20 10 DGCDRN CC(=O)[C@H](C)CC(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001184346698 1084165374 /nfs/dbraw/zinc/16/53/74/1084165374.db2.gz FBPZRVIMZGRPMJ-MLCYQJTMSA-N 0 0 317.429 3.364 20 10 DGCDRN Cc1cc(C)c(CNC(=O)C2=NOC3(C2)CCCCC3)c(O)c1 ZINC001184698250 1084242838 /nfs/dbraw/zinc/24/28/38/1084242838.db2.gz WFKYRTHHAXWZLD-UHFFFAOYSA-N 0 0 316.401 3.104 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)c1cccnc1[N+](=O)[O-] ZINC001184710440 1084244805 /nfs/dbraw/zinc/24/48/05/1084244805.db2.gz GRUCAVTZSWEAPK-UHFFFAOYSA-N 0 0 312.373 3.226 20 10 DGCDRN Cc1cc(S(=O)(=O)Nc2ccc(O)cc2C)ccc1Cl ZINC001185524553 1084463169 /nfs/dbraw/zinc/46/31/69/1084463169.db2.gz JHIUQAPIAFOYCO-UHFFFAOYSA-N 0 0 311.790 3.463 20 10 DGCDRN Cc1cc(C)c(CNC(=O)Cc2noc3c2cccc3C)c(O)c1 ZINC001186549858 1084671644 /nfs/dbraw/zinc/67/16/44/1084671644.db2.gz VSIQCPBPHDWFAC-UHFFFAOYSA-N 0 0 324.380 3.318 20 10 DGCDRN Cc1cccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)c1O ZINC001186702199 1084689768 /nfs/dbraw/zinc/68/97/68/1084689768.db2.gz DZJAJRVCZCYWPG-UHFFFAOYSA-N 0 0 314.429 3.469 20 10 DGCDRN O=C(Nc1cccc(O)c1O)NC12CC3CC(CC(C3)C1)C2 ZINC001186677854 1084693175 /nfs/dbraw/zinc/69/31/75/1084693175.db2.gz PRBTVJOTSUOSBS-UHFFFAOYSA-N 0 0 302.374 3.188 20 10 DGCDRN O=C1C[C@H]2CCC[C@@H](C1)N2Cc1cc(Br)ccc1O ZINC001203645727 1084702832 /nfs/dbraw/zinc/70/28/32/1084702832.db2.gz NUMDHYGMPGGYBU-BETUJISGSA-N 0 0 324.218 3.241 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CC[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000829048338 1084795257 /nfs/dbraw/zinc/79/52/57/1084795257.db2.gz YIUUQQFNBSAACZ-VGVVRCBHSA-N 0 0 304.346 3.016 20 10 DGCDRN C/C(=C\c1cccnc1)C(=O)N1C[C@H](C)Oc2cc(F)ccc21 ZINC001126538943 1086295886 /nfs/dbraw/zinc/29/58/86/1086295886.db2.gz ZBSFYDVJLSFUMB-RPHSKFLZSA-N 0 0 312.344 3.438 20 10 DGCDRN Cn1cnc(/C=C/C(=O)N2CC3(CCCC3)c3ccccc32)c1 ZINC001126786459 1087278757 /nfs/dbraw/zinc/27/87/57/1087278757.db2.gz XBOSROPNMIOGRC-CMDGGOBGSA-N 0 0 307.397 3.292 20 10 DGCDRN Oc1cccc2c1CN(Cc1ccc(Br)[nH]1)CC2 ZINC001232695089 1087613563 /nfs/dbraw/zinc/61/35/63/1087613563.db2.gz WBYNZJOUJYUZCX-UHFFFAOYSA-N 0 0 307.191 3.041 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)c2ccccc2O)ccc1-n1cccn1 ZINC001151885968 1087812441 /nfs/dbraw/zinc/81/24/41/1087812441.db2.gz PGDPPUPFYRJIJX-CQSZACIVSA-N 0 0 321.380 3.377 20 10 DGCDRN C[C@H](NC(=O)[C@H](C)Oc1cccc(F)c1)c1ccccc1O ZINC001151892233 1087815564 /nfs/dbraw/zinc/81/55/64/1087815564.db2.gz MASYXKKCIVSBQB-RYUDHWBXSA-N 0 0 303.333 3.176 20 10 DGCDRN O=C(Nc1ccnn1-c1ccc(F)cc1)C1=CC(=O)CS1 ZINC001152151832 1087908786 /nfs/dbraw/zinc/90/87/86/1087908786.db2.gz SMWOURITPAXMMI-UHFFFAOYSA-N 0 0 303.318 3.031 20 10 DGCDRN Cc1nc2ccc(C(=O)N3Cc4cccc(O)c4C3)cc2nc1C ZINC001152564541 1088002163 /nfs/dbraw/zinc/00/21/63/1088002163.db2.gz HCZSCKHEJMYBTL-UHFFFAOYSA-N 0 0 319.364 3.108 20 10 DGCDRN Oc1ccc(CNc2cc(Oc3ccccc3)ncn2)cc1O ZINC001158994839 1088123568 /nfs/dbraw/zinc/12/35/68/1088123568.db2.gz YKEZZLWTCPREQS-UHFFFAOYSA-N 0 0 309.325 3.292 20 10 DGCDRN COC(=O)c1ccc2ccnc(NCc3ccc(O)c(O)c3)c2c1 ZINC001158995542 1088125162 /nfs/dbraw/zinc/12/51/62/1088125162.db2.gz JEYOMLJZSPTQLW-UHFFFAOYSA-N 0 0 324.336 3.045 20 10 DGCDRN COc1ccc(-c2cc(NCc3ccc(O)c(O)c3)ncn2)cc1 ZINC001158997997 1088125254 /nfs/dbraw/zinc/12/52/54/1088125254.db2.gz YMAIATNYGGFEOL-UHFFFAOYSA-N 0 0 323.352 3.176 20 10 DGCDRN COc1ccccc1-c1cc(NCc2ccc(O)c(O)c2)ncn1 ZINC001158997909 1088125410 /nfs/dbraw/zinc/12/54/10/1088125410.db2.gz UHFKAYPNVFHAFK-UHFFFAOYSA-N 0 0 323.352 3.176 20 10 DGCDRN CN(C)c1ccc(C(=O)NCc2cccc(Cl)c2O)c(F)c1 ZINC001159033741 1088152651 /nfs/dbraw/zinc/15/26/51/1088152651.db2.gz NGRFJMNRNJBWEO-UHFFFAOYSA-N 0 0 322.767 3.181 20 10 DGCDRN CCOC(=O)c1sc2nccnc2c1Nc1ccc(N)cc1 ZINC001159223190 1088242818 /nfs/dbraw/zinc/24/28/18/1088242818.db2.gz SAJFXDSVDKEMQC-UHFFFAOYSA-N 0 0 314.370 3.194 20 10 DGCDRN Cc1cccnc1[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001159270928 1088265290 /nfs/dbraw/zinc/26/52/90/1088265290.db2.gz KSGPHTTZGNFLPH-LLVKDONJSA-N 0 0 311.345 3.043 20 10 DGCDRN CCc1cc2c(ccnc2NCC(=O)c2ccc(O)c(O)c2)o1 ZINC001159280110 1088269176 /nfs/dbraw/zinc/26/91/76/1088269176.db2.gz AJUFCDBUOGUYKW-UHFFFAOYSA-N 0 0 312.325 3.096 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc2ccnn21 ZINC001153558958 1088277467 /nfs/dbraw/zinc/27/74/67/1088277467.db2.gz FPQGPVKTCGPVDB-UHFFFAOYSA-N 0 0 322.412 3.063 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1cc(Cl)sc1Cl ZINC001153792276 1088363669 /nfs/dbraw/zinc/36/36/69/1088363669.db2.gz QGWUZFDRTCBZPW-UHFFFAOYSA-N 0 0 318.181 3.396 20 10 DGCDRN Cc1cnc(C)nc1NCc1cc(Br)ccc1O ZINC001160012815 1088601807 /nfs/dbraw/zinc/60/18/07/1088601807.db2.gz UWLSTIPAEOQTPR-UHFFFAOYSA-N 0 0 308.179 3.174 20 10 DGCDRN C[C@@H](NC(=O)c1cccc(Cl)c1N)c1ccc(N(C)C)cc1 ZINC001154668249 1088701843 /nfs/dbraw/zinc/70/18/43/1088701843.db2.gz DSJDEJMMEOPOSR-LLVKDONJSA-N 0 0 317.820 3.479 20 10 DGCDRN CCOC(=O)c1ccc(N(CC)Cc2ccccc2O)nc1C ZINC001154882193 1088807829 /nfs/dbraw/zinc/80/78/29/1088807829.db2.gz SIDZXGZYANEZBW-UHFFFAOYSA-N 0 0 314.385 3.299 20 10 DGCDRN CCN(Cc1ccccc1O)c1nccc2c1C(=O)OC2(C)C ZINC001154890120 1088813754 /nfs/dbraw/zinc/81/37/54/1088813754.db2.gz PRQWFRMOXAQSAD-UHFFFAOYSA-N 0 0 312.369 3.219 20 10 DGCDRN CCN(Cc1ccccc1O)c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001154890185 1088813889 /nfs/dbraw/zinc/81/38/89/1088813889.db2.gz RXHUZZFCXZBMRD-UHFFFAOYSA-N 0 0 307.737 3.375 20 10 DGCDRN CCN(Cc1ccccc1O)c1nc(C)cc(C)c1C(=O)OC ZINC001154889384 1088814186 /nfs/dbraw/zinc/81/41/86/1088814186.db2.gz YCNNCZLJRCPYJB-UHFFFAOYSA-N 0 0 314.385 3.217 20 10 DGCDRN CCN(Cc1ccccc1O)C(F)(F)c1cnc(Cl)nc1 ZINC001154890431 1088814703 /nfs/dbraw/zinc/81/47/03/1088814703.db2.gz ZVZWROPIAPTXQW-UHFFFAOYSA-N 0 0 313.735 3.407 20 10 DGCDRN Cc1cccc(CNc2nc(Cl)nc3[nH]cc(F)c32)c1O ZINC001160764383 1088948155 /nfs/dbraw/zinc/94/81/55/1088948155.db2.gz GCVQTBVQYHHIGC-UHFFFAOYSA-N 0 0 306.728 3.328 20 10 DGCDRN Cc1cccc(CNc2cncc(N3CCCCCC3)n2)c1O ZINC001160770782 1088951558 /nfs/dbraw/zinc/95/15/58/1088951558.db2.gz FBRZRFSHKHPCMV-UHFFFAOYSA-N 0 0 312.417 3.483 20 10 DGCDRN Cc1cc(C)c(CNC(F)(F)c2cnnc(Cl)c2)c(O)c1 ZINC001160810629 1088973619 /nfs/dbraw/zinc/97/36/19/1088973619.db2.gz UECGMJYVUZAOQF-UHFFFAOYSA-N 0 0 313.735 3.292 20 10 DGCDRN Cc1nc2nc(Cl)nc(NCc3c(C)cc(C)cc3O)c2[nH]1 ZINC001160808711 1088974090 /nfs/dbraw/zinc/97/40/90/1088974090.db2.gz ZQJRTLOJUCQJOQ-UHFFFAOYSA-N 0 0 317.780 3.201 20 10 DGCDRN COc1nc(Cl)nc(C)c1NCc1c(C)cc(C)cc1O ZINC001160810149 1088975655 /nfs/dbraw/zinc/97/56/55/1088975655.db2.gz KMOSDGBDQMADNV-UHFFFAOYSA-N 0 0 307.781 3.382 20 10 DGCDRN CCOC(=O)Cc1ccnc(NCc2c(C)cc(C)cc2O)c1 ZINC001160811248 1088977367 /nfs/dbraw/zinc/97/73/67/1088977367.db2.gz HZNRBUVLDQPTJZ-UHFFFAOYSA-N 0 0 314.385 3.122 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2cc3cc(O)ccc3o2)c(O)c1 ZINC001155673670 1089211638 /nfs/dbraw/zinc/21/16/38/1089211638.db2.gz AKEBHDWBIJDIFX-UHFFFAOYSA-N 0 0 311.337 3.391 20 10 DGCDRN Cc1nc(C(C)C)cc(N2CCCc3cc(O)c(O)cc3C2)n1 ZINC001155933634 1089302462 /nfs/dbraw/zinc/30/24/62/1089302462.db2.gz ZASJYAWZCSVOLS-UHFFFAOYSA-N 0 0 313.401 3.272 20 10 DGCDRN Oc1cc2c(cc1O)CN(c1ccc3c(n1)CCCC3)CCC2 ZINC001155941711 1089304929 /nfs/dbraw/zinc/30/49/29/1089304929.db2.gz WNRZSGPWJQLHMN-UHFFFAOYSA-N 0 0 310.397 3.324 20 10 DGCDRN Oc1cc2c(cc1O)CN(c1cc(Cl)ncc1F)CCC2 ZINC001155941417 1089305233 /nfs/dbraw/zinc/30/52/33/1089305233.db2.gz PBIFHNCMORGJKE-UHFFFAOYSA-N 0 0 308.740 3.238 20 10 DGCDRN Cc1cc(N2CCCc3cc(O)c(O)cc3C2)nc(C2CC2)n1 ZINC001155944958 1089308528 /nfs/dbraw/zinc/30/85/28/1089308528.db2.gz MLGMDQHBNUHTFL-UHFFFAOYSA-N 0 0 311.385 3.026 20 10 DGCDRN Cc1nnc(N2CCCc3cc(O)c(O)cc3C2)c2ccccc12 ZINC001155945606 1089308601 /nfs/dbraw/zinc/30/86/01/1089308601.db2.gz XTIZGSPLTGCESU-UHFFFAOYSA-N 0 0 321.380 3.302 20 10 DGCDRN CC(C)Cc1cc(N2CCCc3cc(O)c(O)cc3C2)ncn1 ZINC001155945366 1089308804 /nfs/dbraw/zinc/30/88/04/1089308804.db2.gz SWUBAKMXZBGWEP-UHFFFAOYSA-N 0 0 313.401 3.039 20 10 DGCDRN O=C(C[C@@H]1CCc2ccccc2C1)NCc1c(O)cccc1F ZINC001156170505 1089416303 /nfs/dbraw/zinc/41/63/03/1089416303.db2.gz OMXPMLJDPNQHKZ-CYBMUJFWSA-N 0 0 313.372 3.343 20 10 DGCDRN Cc1cc2cc(C(=O)N3CCc4cccc(O)c4C3)ccc2[nH]1 ZINC001156539100 1089569021 /nfs/dbraw/zinc/56/90/21/1089569021.db2.gz HQMSNNVKIZYNRQ-UHFFFAOYSA-N 0 0 306.365 3.380 20 10 DGCDRN CCc1c2ccccc2oc1C(=O)NCc1ccc(O)cc1O ZINC001162277929 1089649727 /nfs/dbraw/zinc/64/97/27/1089649727.db2.gz DLGJAXSXMRXMJR-UHFFFAOYSA-N 0 0 311.337 3.336 20 10 DGCDRN CN(C)c1ccc(CN(C)c2cc([N+](=O)[O-])cc(Cl)n2)cc1 ZINC001156920856 1089744304 /nfs/dbraw/zinc/74/43/04/1089744304.db2.gz HWCKQWHBDHFLCL-UHFFFAOYSA-N 0 0 320.780 3.346 20 10 DGCDRN Cc1nc(Cl)c(N(C)Cc2ccc(N(C)C)cc2)nc1C ZINC001156923426 1089745497 /nfs/dbraw/zinc/74/54/97/1089745497.db2.gz BVFALKBUTRIHSZ-UHFFFAOYSA-N 0 0 304.825 3.449 20 10 DGCDRN CSc1cc(C)nc(N(C)Cc2ccc(N(C)C)cc2)n1 ZINC001156923799 1089745549 /nfs/dbraw/zinc/74/55/49/1089745549.db2.gz FYJMLMCZFLNUGE-UHFFFAOYSA-N 0 0 302.447 3.209 20 10 DGCDRN COc1ccnc(Cl)c1N(C)Cc1ccc(N(C)C)cc1 ZINC001156926980 1089747736 /nfs/dbraw/zinc/74/77/36/1089747736.db2.gz FWUFDXQIRDDVQW-UHFFFAOYSA-N 0 0 305.809 3.446 20 10 DGCDRN O=C(CCc1cccs1)NCc1ccc2cccnc2c1O ZINC001162607300 1089823871 /nfs/dbraw/zinc/82/38/71/1089823871.db2.gz MYYLKFGJRLLFBW-UHFFFAOYSA-N 0 0 312.394 3.251 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2CC[C@H]2C)c1 ZINC001157137997 1089836741 /nfs/dbraw/zinc/83/67/41/1089836741.db2.gz VSVQOOXXTRQMOA-KZULUSFZSA-N 0 0 310.397 3.435 20 10 DGCDRN Nc1ccc(CNC(F)(F)c2nc3ccc(Cl)nc3[nH]2)cc1 ZINC001162788017 1089956745 /nfs/dbraw/zinc/95/67/45/1089956745.db2.gz XHJSAKJBCLUITE-UHFFFAOYSA-N 0 0 323.734 3.033 20 10 DGCDRN COC(=O)c1cc(Cl)c(NCc2ccc(N)cc2)nc1C ZINC001162789366 1089956950 /nfs/dbraw/zinc/95/69/50/1089956950.db2.gz DBFJGRULJDSJPQ-UHFFFAOYSA-N 0 0 305.765 3.024 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)NC1(c2ccccc2Cl)CC1 ZINC001162921115 1090026317 /nfs/dbraw/zinc/02/63/17/1090026317.db2.gz ZVQHMBAVFFXCGE-UHFFFAOYSA-N 0 0 317.772 3.099 20 10 DGCDRN Cc1nc(NCc2cc(Cl)c3cccnc3c2O)ncc1F ZINC001157726363 1090088346 /nfs/dbraw/zinc/08/83/46/1090088346.db2.gz MOMBUZJXTAQLJP-UHFFFAOYSA-N 0 0 318.739 3.443 20 10 DGCDRN Cc1ncccc1/C=C\C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC001127661007 1090110211 /nfs/dbraw/zinc/11/02/11/1090110211.db2.gz VBQKANAGKWEKPK-KTKRTIGZSA-N 0 0 323.352 3.291 20 10 DGCDRN C[C@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)[C@@H]1CO ZINC001237077699 1090283637 /nfs/dbraw/zinc/28/36/37/1090283637.db2.gz JNDADOPHGALDSG-JOYOIKCWSA-N 0 0 304.217 3.292 20 10 DGCDRN CCN1CCC([N@H+](C)Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237798648 1090326573 /nfs/dbraw/zinc/32/65/73/1090326573.db2.gz KDSJLNCCXAGXTK-UHFFFAOYSA-N 0 0 300.805 3.101 20 10 DGCDRN C/C(=C/c1cccnc1)C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC001127748494 1090412335 /nfs/dbraw/zinc/41/23/35/1090412335.db2.gz PQPQCLQJXOKCKA-QBFSEMIESA-N 0 0 323.352 3.373 20 10 DGCDRN CNc1ccccc1N[C@H](C(=O)OC)c1ccc(OC)cc1 ZINC001164547248 1090438853 /nfs/dbraw/zinc/43/88/53/1090438853.db2.gz VQXMEGDXIFXCJS-INIZCTEOSA-N 0 0 300.358 3.063 20 10 DGCDRN CCC(C)(C)OC1CN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC001206691611 1090455447 /nfs/dbraw/zinc/45/54/47/1090455447.db2.gz LUGPGOSWGFOKHW-UHFFFAOYSA-N 0 0 313.825 3.444 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1ccc2c(c1)CCC2 ZINC001165499262 1090525638 /nfs/dbraw/zinc/52/56/38/1090525638.db2.gz YLBLDUYJLMXUAZ-UHFFFAOYSA-N 0 0 301.773 3.464 20 10 DGCDRN COC(=O)c1cnc(SCc2ccc([N+](=O)[O-])cc2)s1 ZINC001166227798 1090590431 /nfs/dbraw/zinc/59/04/31/1090590431.db2.gz WIJVWJFXYCZMIF-UHFFFAOYSA-N 0 0 310.356 3.130 20 10 DGCDRN Cc1snnc1-c1nc(-c2cccc(-c3ccccn3)n2)no1 ZINC001212405546 1090626476 /nfs/dbraw/zinc/62/64/76/1090626476.db2.gz VERCFLYBNLGSAJ-UHFFFAOYSA-N 0 0 322.353 3.021 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2nnc(C)cc2C)C1 ZINC001166815744 1090661407 /nfs/dbraw/zinc/66/14/07/1090661407.db2.gz GOVDPQMOYXRWEW-UHFFFAOYSA-N 0 0 322.412 3.156 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)Nc1cccc2c1OCO2 ZINC001203323813 1090721313 /nfs/dbraw/zinc/72/13/13/1090721313.db2.gz YWETXYPOXYHBKV-UHFFFAOYSA-N 0 0 320.732 3.096 20 10 DGCDRN NC(=O)c1ccc(Nc2ccc(Cc3ccc(N)cc3)cc2)cn1 ZINC001203440419 1090735458 /nfs/dbraw/zinc/73/54/58/1090735458.db2.gz AQABPCOYHFHDQI-UHFFFAOYSA-N 0 0 318.380 3.097 20 10 DGCDRN C[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCC[C@H]1O ZINC001203574222 1090759243 /nfs/dbraw/zinc/75/92/43/1090759243.db2.gz QGFAAGYBDVZTSY-TVQRCGJNSA-N 0 0 304.217 3.292 20 10 DGCDRN C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203579701 1090760392 /nfs/dbraw/zinc/76/03/92/1090760392.db2.gz CBBHWVPWDBSEHH-HZMBPMFUSA-N 0 0 315.244 3.225 20 10 DGCDRN CCOc1cccc(CN2CC(Oc3ccccc3F)C2)c1O ZINC001203614134 1090767221 /nfs/dbraw/zinc/76/72/21/1090767221.db2.gz QHCGRZSXJQZXIW-UHFFFAOYSA-N 0 0 317.360 3.193 20 10 DGCDRN Nc1ccc(N(c2ccc(N)cc2)c2ccc(N)nc2F)cc1 ZINC001203620250 1090767904 /nfs/dbraw/zinc/76/79/04/1090767904.db2.gz CKOLCDXRYZXBES-UHFFFAOYSA-N 0 0 309.348 3.437 20 10 DGCDRN Oc1ccc(Br)cc1CN1CCc2ncccc2C1 ZINC001203643237 1090771938 /nfs/dbraw/zinc/77/19/38/1090771938.db2.gz VUKVKGSCOXLUSE-UHFFFAOYSA-N 0 0 319.202 3.108 20 10 DGCDRN Oc1ccc(Br)cc1CN1Cc2ncsc2C1 ZINC001203650201 1090773437 /nfs/dbraw/zinc/77/34/37/1090773437.db2.gz MWIJKWCXXRQCPP-UHFFFAOYSA-N 0 0 311.204 3.127 20 10 DGCDRN Cc1nc([C@@H]2COCCN2Cc2cc(Cl)ccc2O)cs1 ZINC001203656086 1090774531 /nfs/dbraw/zinc/77/45/31/1090774531.db2.gz HEPAZKPCEAGGHK-AWEZNQCLSA-N 0 0 324.833 3.384 20 10 DGCDRN Oc1ccc(Cl)cc1CN1CCc2nc(Cl)ncc2C1 ZINC001203663652 1090775849 /nfs/dbraw/zinc/77/58/49/1090775849.db2.gz CJRSOJITFRGPOU-UHFFFAOYSA-N 0 0 310.184 3.047 20 10 DGCDRN Cc1ccc(C)c(N2CCN(Cc3ccc(O)c(O)c3)CC2)c1 ZINC001203874072 1090824990 /nfs/dbraw/zinc/82/49/90/1090824990.db2.gz MWPNYXPNWQXBRM-UHFFFAOYSA-N 0 0 312.413 3.037 20 10 DGCDRN Oc1ccc(CN2CCSC[C@@H]2c2ccccc2)cc1O ZINC001203882339 1090826210 /nfs/dbraw/zinc/82/62/10/1090826210.db2.gz HNSKEJUSEXRTJC-OAHLLOKOSA-N 0 0 301.411 3.388 20 10 DGCDRN CCOC(=O)[C@@H]1CCCN1Cc1ccc(N(CC)CC)cc1 ZINC001203941679 1090845100 /nfs/dbraw/zinc/84/51/00/1090845100.db2.gz FGIJQWZLHKILHJ-KRWDZBQOSA-N 0 0 304.434 3.060 20 10 DGCDRN CC1(C)CCN(CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001204002021 1090864583 /nfs/dbraw/zinc/86/45/83/1090864583.db2.gz IGKGMBWJIKBTIE-UHFFFAOYSA-N 0 0 300.805 3.006 20 10 DGCDRN CN(C)c1ccc(CN2CCC(=O)[C@H](F)C2)c2ccccc21 ZINC001204241342 1090932414 /nfs/dbraw/zinc/93/24/14/1090932414.db2.gz FPXWTNBEJOIMTQ-MRXNPFEDSA-N 0 0 300.377 3.019 20 10 DGCDRN FC(F)(F)[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001204321149 1090948390 /nfs/dbraw/zinc/94/83/90/1090948390.db2.gz HEQIMCFDEKLTSJ-OAHLLOKOSA-N 0 0 314.351 3.050 20 10 DGCDRN COc1cc(CN2CCCC[C@H]2C(F)(F)F)cc(O)c1O ZINC001204345685 1090952615 /nfs/dbraw/zinc/95/26/15/1090952615.db2.gz UYSJOIJYJOYTLO-LBPRGKRZSA-N 0 0 305.296 3.023 20 10 DGCDRN Cc1cc(CC(=O)N(C)c2ncccn2)c(C)n1-c1ccccc1 ZINC001128478979 1090981239 /nfs/dbraw/zinc/98/12/39/1090981239.db2.gz CMYIAOZPVIAMGE-UHFFFAOYSA-N 0 0 320.396 3.090 20 10 DGCDRN C[C@@H]1CN(Cc2cc(F)c(N(C)C)cc2F)C[C@@H](C)S1 ZINC001204489130 1090981812 /nfs/dbraw/zinc/98/18/12/1090981812.db2.gz QNFAFMIUJSWBSW-GHMZBOCLSA-N 0 0 300.418 3.357 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC001204852006 1091047963 /nfs/dbraw/zinc/04/79/63/1091047963.db2.gz UNNLAHQAIZODKV-LLVKDONJSA-N 0 0 321.783 3.354 20 10 DGCDRN c1cncc(OC2CN(Cc3ccc(N4CCCCC4)cc3)C2)c1 ZINC001138219511 1091118000 /nfs/dbraw/zinc/11/80/00/1091118000.db2.gz FIAKLLPLIUACHX-UHFFFAOYSA-N 0 0 323.440 3.335 20 10 DGCDRN OC[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CC(F)(F)C1 ZINC001138215778 1091118629 /nfs/dbraw/zinc/11/86/29/1091118629.db2.gz VBPLCIJCXWIXGD-INIZCTEOSA-N 0 0 324.415 3.126 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CCOC[C@H](C)C2)c(OC)c1 ZINC001138385832 1091161322 /nfs/dbraw/zinc/16/13/22/1091161322.db2.gz AIMKVNWXDVCFHK-OAHLLOKOSA-N 0 0 306.450 3.010 20 10 DGCDRN CCCOC1CN(Cc2ccc(N(CC)CC)cc2OC)C1 ZINC001138389410 1091162640 /nfs/dbraw/zinc/16/26/40/1091162640.db2.gz NSXJVOSLJUEORW-UHFFFAOYSA-N 0 0 306.450 3.152 20 10 DGCDRN CCN(CC)c1ccc(CN2CCCC(=O)[C@H](C)C2)c(OC)c1 ZINC001138386865 1091163212 /nfs/dbraw/zinc/16/32/12/1091163212.db2.gz YKNAWPGRTGUIGR-OAHLLOKOSA-N 0 0 318.461 3.342 20 10 DGCDRN CC(C)(C)OC(=O)C1CC[NH+](Cc2c([O-])cccc2F)CC1 ZINC001137837922 1091209199 /nfs/dbraw/zinc/20/91/99/1091209199.db2.gz ZGSGJFCQDMZYRM-UHFFFAOYSA-N 0 0 309.381 3.085 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCC[C@@H](O)C(C)C ZINC001293599340 1091262668 /nfs/dbraw/zinc/26/26/68/1091262668.db2.gz DUOBLGDNKAWXOD-OAHLLOKOSA-N 0 0 320.458 3.292 20 10 DGCDRN Cc1cc(C)c(NC(=O)NCc2c(O)cccc2F)c(C)n1 ZINC001205908046 1091404036 /nfs/dbraw/zinc/40/40/36/1091404036.db2.gz QAWCYNVSBKYFIC-UHFFFAOYSA-N 0 0 303.337 3.173 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)COCc1cccc(Cl)c1 ZINC001294674098 1091426764 /nfs/dbraw/zinc/42/67/64/1091426764.db2.gz YJTZMFSOQPRWPS-UHFFFAOYSA-N 0 0 319.788 3.221 20 10 DGCDRN Cn1ccc(Nc2ccccc2C(=O)c2ccccc2)cc1=O ZINC001206098179 1091491236 /nfs/dbraw/zinc/49/12/36/1091491236.db2.gz PLRUDWOSQXLBIU-UHFFFAOYSA-N 0 0 304.349 3.360 20 10 DGCDRN Cn1ccc(Nc2ccc(CCc3ccc(N)cc3)cc2)cc1=O ZINC001206106671 1091494465 /nfs/dbraw/zinc/49/44/65/1091494465.db2.gz KRMFFXWDAUVZRS-UHFFFAOYSA-N 0 0 319.408 3.496 20 10 DGCDRN COc1ccc(F)cc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001295099478 1091504346 /nfs/dbraw/zinc/50/43/46/1091504346.db2.gz XPHMHPFKGNDHMS-UHFFFAOYSA-N 0 0 316.292 3.249 20 10 DGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001139685292 1091641355 /nfs/dbraw/zinc/64/13/55/1091641355.db2.gz VULUPNZPXFNFOM-ZDUSSCGKSA-N 0 0 305.324 3.324 20 10 DGCDRN Cc1ccc(O[C@@H]2CC[N@H+](Cc3c(F)ccc(F)c3[O-])C2)nc1 ZINC001139686932 1091642961 /nfs/dbraw/zinc/64/29/61/1091642961.db2.gz INDDGQBOZDRVDY-GFCCVEGCSA-N 0 0 320.339 3.027 20 10 DGCDRN COc1ccc(N2CCN(Cc3ccc(C)nc3)CC2)c(C)c1 ZINC001139934071 1091717852 /nfs/dbraw/zinc/71/78/52/1091717852.db2.gz BQRAQIFPIILUPW-UHFFFAOYSA-N 0 0 311.429 3.029 20 10 DGCDRN Oc1cccc(Br)c1CN1CCC(F)(F)[C@@H](F)C1 ZINC001140098972 1091766278 /nfs/dbraw/zinc/76/62/78/1091766278.db2.gz VOLFROCBWHSJFT-NSHDSACASA-N 0 0 324.140 3.334 20 10 DGCDRN CC(C)[C@H]1COCCN1Cc1c(O)cccc1Br ZINC001140101453 1091768644 /nfs/dbraw/zinc/76/86/44/1091768644.db2.gz SQVDCZYNTMUSLA-CYBMUJFWSA-N 0 0 314.223 3.012 20 10 DGCDRN O=c1cc(-c2cncc(C(F)(F)F)c2)ccn1CC(F)(F)F ZINC001240793163 1091769523 /nfs/dbraw/zinc/76/95/23/1091769523.db2.gz CDOXMRYBRQOJKJ-UHFFFAOYSA-N 0 0 322.208 3.491 20 10 DGCDRN Cc1nc([C@@H]2COCCN2Cc2c(C)ccc(C)c2O)cs1 ZINC001140179473 1091791290 /nfs/dbraw/zinc/79/12/90/1091791290.db2.gz DHPRFNXNEXZZTI-INIZCTEOSA-N 0 0 318.442 3.347 20 10 DGCDRN CC(C)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC001296998869 1091818125 /nfs/dbraw/zinc/81/81/25/1091818125.db2.gz NJAWRUZIGBTBNU-GOSISDBHSA-N 0 0 317.360 3.293 20 10 DGCDRN Oc1cc(Cl)ccc1CN1CCCC[C@H]1C[NH+]1CCCC1 ZINC001140467004 1091879581 /nfs/dbraw/zinc/87/95/81/1091879581.db2.gz PTMDULZXJAVKSC-INIZCTEOSA-N 0 0 308.853 3.496 20 10 DGCDRN C[N@@H+]1CCN(Cc2c([O-])cc(F)cc2F)[C@@H](c2ccccc2)C1 ZINC001140580359 1091918348 /nfs/dbraw/zinc/91/83/48/1091918348.db2.gz YYVFJHPRHRZVFX-QGZVFWFLSA-N 0 0 318.367 3.159 20 10 DGCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001140582987 1091919565 /nfs/dbraw/zinc/91/95/65/1091919565.db2.gz RYMQYRSCVVCWNN-GMSGAONNSA-N 0 0 313.241 3.250 20 10 DGCDRN C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1c([O-])cc(F)cc1F ZINC001140583170 1091919649 /nfs/dbraw/zinc/91/96/49/1091919649.db2.gz XUZAVEVZVHTAGL-UHFFFAOYSA-N 0 0 321.323 3.074 20 10 DGCDRN Cc1ccc(O)c(CN2CC[C@H](N3CCCCC3)C(F)(F)C2)c1 ZINC001140624511 1091936695 /nfs/dbraw/zinc/93/66/95/1091936695.db2.gz ZFICVCHZSUBJSA-KRWDZBQOSA-N 0 0 324.415 3.396 20 10 DGCDRN Cc1c(O)ccc(CN2CCCC[C@@H]2C(=O)OC(C)(C)C)c1O ZINC001140746283 1091983370 /nfs/dbraw/zinc/98/33/70/1091983370.db2.gz XRCFHRKRRVJVRH-CQSZACIVSA-N 0 0 321.417 3.102 20 10 DGCDRN CC(=O)c1ccc2c(c1)CN(Cc1ccc(O)c(C)c1O)CC2 ZINC001140747603 1091985595 /nfs/dbraw/zinc/98/55/95/1091985595.db2.gz GGKQRSPAKMYVIL-UHFFFAOYSA-N 0 0 311.381 3.167 20 10 DGCDRN Cc1cc(-c2ncco2)ccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001298473777 1092062939 /nfs/dbraw/zinc/06/29/39/1092062939.db2.gz CUJPTZSZARJBJT-UHFFFAOYSA-N 0 0 324.336 3.242 20 10 DGCDRN CN(C)c1ccc(C[NH+]2CCC(n3cccn3)CC2)c(Cl)c1 ZINC001140924664 1092065015 /nfs/dbraw/zinc/06/50/15/1092065015.db2.gz LHEMGBYEEXLMRB-UHFFFAOYSA-N 0 0 318.852 3.440 20 10 DGCDRN COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2Cl)[C@H]1C ZINC001140925285 1092065574 /nfs/dbraw/zinc/06/55/74/1092065574.db2.gz QWVMSWBAZWRENS-SWLSCSKDSA-N 0 0 324.852 3.180 20 10 DGCDRN O=C(NC[C@H]1CCC[C@@H]1c1ccccc1)c1cccc(O)c1O ZINC001298514749 1092066609 /nfs/dbraw/zinc/06/66/09/1092066609.db2.gz ZIURPFJMXNWWDH-HUUCEWRRSA-N 0 0 311.381 3.412 20 10 DGCDRN COc1ccccc1O[C@@H]1CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC001140950180 1092076904 /nfs/dbraw/zinc/07/69/04/1092076904.db2.gz UIWNCTHKIKMJHP-MRXNPFEDSA-N 0 0 313.397 3.363 20 10 DGCDRN O=C1C[C@H]2CCC[C@@H](C1)N2Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141075793 1092129218 /nfs/dbraw/zinc/12/92/18/1092129218.db2.gz AQZFCFCTCYTWCP-KDURUIRLSA-N 0 0 324.468 3.471 20 10 DGCDRN Oc1ccc(O)c(CN2CCN(c3ccccc3Cl)CC2)c1 ZINC001141159430 1092155860 /nfs/dbraw/zinc/15/58/60/1092155860.db2.gz GPMIVTZNOUYSAS-UHFFFAOYSA-N 0 0 318.804 3.073 20 10 DGCDRN Cc1ccc(CNC(=O)Cc2ccc(O)c(O)c2)c2ccccc12 ZINC001142289983 1092460409 /nfs/dbraw/zinc/46/04/09/1092460409.db2.gz RKLUOXFDSBQJQM-UHFFFAOYSA-N 0 0 321.376 3.418 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C ZINC001142416882 1092479383 /nfs/dbraw/zinc/47/93/83/1092479383.db2.gz JCYMEWZKTRYIHO-VIBAHUMZSA-N 0 0 300.446 3.393 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001142524737 1092495334 /nfs/dbraw/zinc/49/53/34/1092495334.db2.gz ISHOTUVMQMCJSH-GFCCVEGCSA-N 0 0 304.340 3.445 20 10 DGCDRN Cc1cnccc1O[C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142531339 1092496402 /nfs/dbraw/zinc/49/64/02/1092496402.db2.gz VFQQKODKACFSAR-CYBMUJFWSA-N 0 0 320.339 3.027 20 10 DGCDRN O=C(/C=C/C=C(Cl)Cl)NCc1ccc2cccnc2c1O ZINC001142730733 1092539520 /nfs/dbraw/zinc/53/95/20/1092539520.db2.gz DORKBEZUCKGZRP-ORCRQEGFSA-N 0 0 323.179 3.432 20 10 DGCDRN CN(C)c1ccc(Cl)cc1NC(=O)c1cccc(O)c1O ZINC001142863379 1092570804 /nfs/dbraw/zinc/57/08/04/1092570804.db2.gz SIKJUROXJGWNNS-UHFFFAOYSA-N 0 0 306.749 3.070 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc2c1OCC2 ZINC001149180003 1092667149 /nfs/dbraw/zinc/66/71/49/1092667149.db2.gz OTLUDUODMLZTHB-UHFFFAOYSA-N 0 0 324.424 3.350 20 10 DGCDRN Cc1cccc(O)c1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001150376997 1092774691 /nfs/dbraw/zinc/77/46/91/1092774691.db2.gz FRRVAZFSXCQCSK-UHFFFAOYSA-N 0 0 311.381 3.215 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cccc(O)c1F ZINC001150386625 1092775925 /nfs/dbraw/zinc/77/59/25/1092775925.db2.gz LAPPBSVQHCGPJB-UHFFFAOYSA-N 0 0 315.344 3.046 20 10 DGCDRN COc1cccc(CNC(=O)c2ccc(F)c3occc32)c1O ZINC001150543411 1092791415 /nfs/dbraw/zinc/79/14/15/1092791415.db2.gz OBMMJCNTUGYGBB-UHFFFAOYSA-N 0 0 315.300 3.216 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(CN2Cc3cncnc3C2)cc1 ZINC001209517836 1092805829 /nfs/dbraw/zinc/80/58/29/1092805829.db2.gz HHPUTSOGZUWDDZ-UHFFFAOYSA-N 0 0 304.397 3.400 20 10 DGCDRN COC(=O)c1ccc(Nc2ccc3c(c2)OCCN3)cc1OC ZINC001209766836 1092910888 /nfs/dbraw/zinc/91/08/88/1092910888.db2.gz XHSRZXUVSHRXSA-UHFFFAOYSA-N 0 0 314.341 3.030 20 10 DGCDRN CCOC(=O)Cc1ccc(Nc2ccc3c(c2)OCCN3)cc1 ZINC001209767976 1092911160 /nfs/dbraw/zinc/91/11/60/1092911160.db2.gz UFLYIACQVVKBPW-UHFFFAOYSA-N 0 0 312.369 3.340 20 10 DGCDRN COc1cc(Nc2ccc3c(c2)OCCN3)cc(OC)c1OC ZINC001209767669 1092911935 /nfs/dbraw/zinc/91/19/35/1092911935.db2.gz PDOYGSKEFJIKKB-UHFFFAOYSA-N 0 0 316.357 3.260 20 10 DGCDRN Fc1cccc(OC2COC2)c1Nc1ccc2c(c1)OCCN2 ZINC001209792834 1092925963 /nfs/dbraw/zinc/92/59/63/1092925963.db2.gz VEDORIWQEXNADA-UHFFFAOYSA-N 0 0 316.332 3.151 20 10 DGCDRN COc1c(F)ccc(N(CCO)c2ccc(N)cc2)c1Cl ZINC001209802903 1092931793 /nfs/dbraw/zinc/93/17/93/1092931793.db2.gz PIRSSAYNEWHRGY-UHFFFAOYSA-N 0 0 310.756 3.200 20 10 DGCDRN CCCOc1ccc(N(c2ccc(N)cc2)S(C)(=O)=O)cc1 ZINC001209864719 1092955197 /nfs/dbraw/zinc/95/51/97/1092955197.db2.gz RLNONXMBNOLPMG-UHFFFAOYSA-N 0 0 320.414 3.155 20 10 DGCDRN Cc1ncc(Nc2ccccc2C(=O)c2ccncc2)cc1N ZINC001210292845 1093111683 /nfs/dbraw/zinc/11/16/83/1093111683.db2.gz AHNHTAVKNBCPBL-UHFFFAOYSA-N 0 0 304.353 3.342 20 10 DGCDRN Nc1cncc(Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 ZINC001210439250 1093166422 /nfs/dbraw/zinc/16/64/22/1093166422.db2.gz OPBUQCWBZYRDPN-UHFFFAOYSA-N 0 0 315.332 3.183 20 10 DGCDRN Cc1oncc1Nc1cccc2c1C(=O)c1cccc(N)c1C2=O ZINC001210583672 1093217342 /nfs/dbraw/zinc/21/73/42/1093217342.db2.gz SAVWHVPENKTQON-UHFFFAOYSA-N 0 0 319.320 3.084 20 10 DGCDRN CC=C(C)Nc1c(CC(N)=O)cccc1C(=O)c1ccccc1 ZINC001210796290 1093285035 /nfs/dbraw/zinc/28/50/35/1093285035.db2.gz OYHLUVBWAZCRHY-QLKAYGNNSA-N 0 0 308.381 3.281 20 10 DGCDRN Nc1ccc(NC(=O)Nc2ccc(Nc3ccncn3)cc2)cc1 ZINC001211032675 1093358389 /nfs/dbraw/zinc/35/83/89/1093358389.db2.gz VQJXLHUDGGLVIB-UHFFFAOYSA-N 0 0 320.356 3.446 20 10 DGCDRN COCc1cccc(NC(=O)N[C@H](C)c2ccccc2O)c1 ZINC001214426636 1093773091 /nfs/dbraw/zinc/77/30/91/1093773091.db2.gz LJJQEDLUZDQAAQ-GFCCVEGCSA-N 0 0 300.358 3.421 20 10 DGCDRN OCc1cc(Nc2cccc(O)c2O)ccc1OC(F)(F)F ZINC001214833434 1093860839 /nfs/dbraw/zinc/86/08/39/1093860839.db2.gz RHVPOWREOWWXAL-UHFFFAOYSA-N 0 0 315.247 3.232 20 10 DGCDRN Oc1cccc(-c2nc(-c3cncc(C(F)(F)F)c3)no2)c1O ZINC001215146026 1093926943 /nfs/dbraw/zinc/92/69/43/1093926943.db2.gz XLIBCWZPKJAELA-UHFFFAOYSA-N 0 0 323.230 3.229 20 10 DGCDRN COc1c(F)c(F)ccc1-c1noc(-c2cccc(O)c2O)n1 ZINC001215146033 1093927117 /nfs/dbraw/zinc/92/71/17/1093927117.db2.gz XUPFMSTVLGKENA-UHFFFAOYSA-N 0 0 320.251 3.102 20 10 DGCDRN Oc1ccc(-c2nc(-c3ccc4ncsc4c3)no2)cc1O ZINC001215304131 1093954865 /nfs/dbraw/zinc/95/48/65/1093954865.db2.gz FRYKKWQRSLTGNN-UHFFFAOYSA-N 0 0 311.322 3.425 20 10 DGCDRN Oc1ccc(-c2nc(-c3ccc(-c4cnco4)cc3)no2)cc1O ZINC001215304572 1093955828 /nfs/dbraw/zinc/95/58/28/1093955828.db2.gz SGQZZYLJWUTSSB-UHFFFAOYSA-N 0 0 321.292 3.470 20 10 DGCDRN Oc1ccc(-c2nc(-c3cc(C(F)(F)F)ccn3)no2)cc1O ZINC001215304547 1093955925 /nfs/dbraw/zinc/95/59/25/1093955925.db2.gz RIIYJVSFRZUQAE-UHFFFAOYSA-N 0 0 323.230 3.229 20 10 DGCDRN Oc1ccc(-c2nc(-c3cccc4cccnc43)no2)cc1O ZINC001215304652 1093956019 /nfs/dbraw/zinc/95/60/19/1093956019.db2.gz XEHMUOQVYCMZFH-UHFFFAOYSA-N 0 0 305.293 3.363 20 10 DGCDRN Cc1ccc(Cl)c(-c2noc(-c3cc(O)c(O)c(O)c3)n2)c1 ZINC001215327739 1093961446 /nfs/dbraw/zinc/96/14/46/1093961446.db2.gz QMVFKBWKKMEKPM-UHFFFAOYSA-N 0 0 318.716 3.482 20 10 DGCDRN COCc1ccc(Cl)c(N(CCO)c2ccc(N)cc2)c1 ZINC001215596207 1094010960 /nfs/dbraw/zinc/01/09/60/1094010960.db2.gz GEYRQRLPXOSJAB-UHFFFAOYSA-N 0 0 306.793 3.199 20 10 DGCDRN CCOc1cc(C)ccc1N(c1ccc(N)cc1)S(C)(=O)=O ZINC001215876474 1094078862 /nfs/dbraw/zinc/07/88/62/1094078862.db2.gz PDJBKJZMDDJIHZ-UHFFFAOYSA-N 0 0 320.414 3.074 20 10 DGCDRN CON(C)C(=O)c1ccc(N(C)c2ccc(N)cc2)c(Cl)c1 ZINC001215901527 1094083739 /nfs/dbraw/zinc/08/37/39/1094083739.db2.gz RRNQFQUMLMDSFY-UHFFFAOYSA-N 0 0 319.792 3.324 20 10 DGCDRN CCOc1cc(C)cc(F)c1N(CCO)c1ccc(N)cc1 ZINC001216368523 1094183781 /nfs/dbraw/zinc/18/37/81/1094183781.db2.gz JAEGYNITQVKTFX-UHFFFAOYSA-N 0 0 304.365 3.245 20 10 DGCDRN Cc1cccc(-c2noc(-c3ccc(O)c(O)c3Cl)n2)n1 ZINC001216953263 1094283419 /nfs/dbraw/zinc/28/34/19/1094283419.db2.gz FLKQFYXVASDCJI-UHFFFAOYSA-N 0 0 303.705 3.172 20 10 DGCDRN CC[C@@H](C)[C@@H](NC(=O)NCc1c(O)cccc1F)C(F)(F)F ZINC001217096190 1094304906 /nfs/dbraw/zinc/30/49/06/1094304906.db2.gz OVZMKZAHGBJHLK-PRHODGIISA-N 0 0 322.302 3.308 20 10 DGCDRN CCOC(=O)[C@@H](CCc1ccccc1)OCc1ccc(N)cc1 ZINC001217859729 1094506171 /nfs/dbraw/zinc/50/61/71/1094506171.db2.gz AWZHAXVQKVAICW-GOSISDBHSA-N 0 0 313.397 3.350 20 10 DGCDRN Cn1c(C2SC=CC2=O)nnc1N1CCC2(C1)CCCCC2 ZINC001121274788 1094638819 /nfs/dbraw/zinc/63/88/19/1094638819.db2.gz TYPMMGXJBIMJOX-UHFFFAOYSA-N 0 0 318.446 3.410 20 10 DGCDRN Cc1ccc(C(=O)NCc2cc(Cl)ccc2C)c(O)c1O ZINC001336581614 1094674665 /nfs/dbraw/zinc/67/46/65/1094674665.db2.gz CVLZYHDIZYHKSM-UHFFFAOYSA-N 0 0 305.761 3.298 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Cc2cncc3ccccc32)cc1 ZINC001135825145 1094695628 /nfs/dbraw/zinc/69/56/28/1094695628.db2.gz HBERQXXOYKIRMN-UHFFFAOYSA-N 0 0 319.408 3.160 20 10 DGCDRN CC[C@H]1C[C@H](C)CN1c1nnc(C2SC=CC2=O)n1CC ZINC001121668417 1094739665 /nfs/dbraw/zinc/73/96/65/1094739665.db2.gz AUJLZRJYSDRHGI-QWRGUYRKSA-N 0 0 306.435 3.357 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1ccccc1OCCF ZINC001218411462 1094759328 /nfs/dbraw/zinc/75/93/28/1094759328.db2.gz MODPDMXHJSCASO-UHFFFAOYSA-N 0 0 304.321 3.062 20 10 DGCDRN COCCC1(CNC(=O)NCc2ccc(N)cc2)CCCCC1 ZINC001336859620 1094762004 /nfs/dbraw/zinc/76/20/04/1094762004.db2.gz QSIDZPUQPFAKKZ-UHFFFAOYSA-N 0 0 319.449 3.055 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2C[C@H](C)O[C@@H]2C)cc1 ZINC001135946112 1094762755 /nfs/dbraw/zinc/76/27/55/1094762755.db2.gz GJSPYKMHGBXHIZ-HDMKZQKVSA-N 0 0 318.461 3.305 20 10 DGCDRN Cc1cnn(-c2ccc(C)cc2)c1NC(=O)Cc1ccc(N)cc1 ZINC001218750561 1094862482 /nfs/dbraw/zinc/86/24/82/1094862482.db2.gz STKJDAVLZUGIPK-UHFFFAOYSA-N 0 0 320.396 3.253 20 10 DGCDRN C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001337262578 1094912353 /nfs/dbraw/zinc/91/23/53/1094912353.db2.gz LUGXKINFXLSXFM-VIFPVBQESA-N 0 0 317.788 3.395 20 10 DGCDRN CC[C@H](NC(=O)Cc1ccc(N)cc1)c1cc(F)ccc1OC ZINC001122258147 1094936718 /nfs/dbraw/zinc/93/67/18/1094936718.db2.gz MMAGIYIZDJLYAR-INIZCTEOSA-N 0 0 316.376 3.227 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)N1CC=CCC1 ZINC001219191493 1094949702 /nfs/dbraw/zinc/94/97/02/1094949702.db2.gz MPSGAZJHAMSSOL-UHFFFAOYSA-N 0 0 319.368 3.190 20 10 DGCDRN C[C@@H]1CCC(F)(F)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001337571266 1095022537 /nfs/dbraw/zinc/02/25/37/1095022537.db2.gz HSEWZEOOOUVINO-SECBINFHSA-N 0 0 310.304 3.109 20 10 DGCDRN C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC001337801402 1095100450 /nfs/dbraw/zinc/10/04/50/1095100450.db2.gz SCWZGNBWXBDJML-MNOVXSKESA-N 0 0 324.377 3.071 20 10 DGCDRN C[C@H](NC(=O)Cc1ccc(N)cc1)c1nc(-c2ccccc2)c[nH]1 ZINC001220548217 1095112529 /nfs/dbraw/zinc/11/25/29/1095112529.db2.gz BNDORICOCQZOLX-ZDUSSCGKSA-N 0 0 320.396 3.079 20 10 DGCDRN Cc1ccc(CNC(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001220675745 1095136811 /nfs/dbraw/zinc/13/68/11/1095136811.db2.gz XACKNUMWPYWCMX-UHFFFAOYSA-N 0 0 304.777 3.353 20 10 DGCDRN CCOc1cccc(C[N@@H+]2CCCC[C@@H]2CCC(=O)[O-])c1O ZINC000316286691 1095166499 /nfs/dbraw/zinc/16/64/99/1095166499.db2.gz KXYHZIGQTHBQLY-CQSZACIVSA-N 0 0 307.390 3.010 20 10 DGCDRN C[C@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)c1ccc(F)cc1[O-] ZINC000316334595 1095169157 /nfs/dbraw/zinc/16/91/57/1095169157.db2.gz CEVZFRPJCBYEIY-LRDDRELGSA-N 0 0 305.397 3.493 20 10 DGCDRN CC[C@@H]1CC[C@@H](C)N(c2nnc(C3SC=CC3=O)n2C)C1 ZINC001338089334 1095185967 /nfs/dbraw/zinc/18/59/67/1095185967.db2.gz YDEWRQIURVGGIP-GHMZBOCLSA-N 0 0 306.435 3.264 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1[C@@H](C)[C@@H]1OCC ZINC001626159944 1095202898 /nfs/dbraw/zinc/20/28/98/1095202898.db2.gz DBWJOTPNSMGGSQ-XYPHTWIQSA-N 0 0 305.418 3.192 20 10 DGCDRN Nc1ccc(CC(=O)NCC2(Cc3ccccc3F)CC2)cc1 ZINC001221173121 1095211778 /nfs/dbraw/zinc/21/17/78/1095211778.db2.gz WMRUZVWGJSHNBA-UHFFFAOYSA-N 0 0 312.388 3.090 20 10 DGCDRN CC[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccc(F)c(F)c1 ZINC001221269561 1095228081 /nfs/dbraw/zinc/22/80/81/1095228081.db2.gz QEAYVPYREPGRLB-MRXNPFEDSA-N 0 0 304.340 3.357 20 10 DGCDRN CC[C@@H](Cc1ccccc1)NC(=O)NCc1c(O)cccc1F ZINC001221725007 1095334958 /nfs/dbraw/zinc/33/49/58/1095334958.db2.gz AGVDHAMYWOBQCY-AWEZNQCLSA-N 0 0 316.376 3.352 20 10 DGCDRN C[C@@H](c1ccco1)N(C)c1nnc(C2SC=CC2=O)n1C ZINC001338748357 1095377345 /nfs/dbraw/zinc/37/73/45/1095377345.db2.gz AUMRUIOTZUZTEY-VIFPVBQESA-N 0 0 304.375 3.040 20 10 DGCDRN Cn1c(C2SC=CC2=O)nnc1N1CCC[C@@H]1C1CCC1 ZINC001338749590 1095378012 /nfs/dbraw/zinc/37/80/12/1095378012.db2.gz IIUYOOMXGPYTGT-LLVKDONJSA-N 0 0 304.419 3.018 20 10 DGCDRN CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cc(O)ccc1O ZINC001338764395 1095382804 /nfs/dbraw/zinc/38/28/04/1095382804.db2.gz FTSQUOFIBDYITH-OAHLLOKOSA-N 0 0 318.760 3.338 20 10 DGCDRN O=C(CCc1cccc(O)c1)NCCCSc1nccs1 ZINC001123658866 1095385193 /nfs/dbraw/zinc/38/51/93/1095385193.db2.gz YGFPWWZLYVCBLM-UHFFFAOYSA-N 0 0 322.455 3.080 20 10 DGCDRN COc1ccccc1CNC(=O)NCc1cc(Cl)ccc1O ZINC001222090506 1095428916 /nfs/dbraw/zinc/42/89/16/1095428916.db2.gz YACPXEHKRJGOAG-UHFFFAOYSA-N 0 0 320.776 3.054 20 10 DGCDRN CNC(=O)Cc1ccccc1NCc1c(O)ccc(Cl)c1F ZINC001338928152 1095439388 /nfs/dbraw/zinc/43/93/88/1095439388.db2.gz BHNOUPAAUSXCFF-UHFFFAOYSA-N 0 0 322.767 3.085 20 10 DGCDRN CCOc1ccc(-c2ccn(Cc3cccnc3)c(=O)c2)c(C)n1 ZINC001222122352 1095446302 /nfs/dbraw/zinc/44/63/02/1095446302.db2.gz WKFIZNOFIKSZJF-UHFFFAOYSA-N 0 0 321.380 3.061 20 10 DGCDRN CC[C@@H](C)n1nccc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001338971589 1095453284 /nfs/dbraw/zinc/45/32/84/1095453284.db2.gz UGEIQRIWDJAAES-ZIAGYGMSSA-N 0 0 314.433 3.411 20 10 DGCDRN C/C(=C/C1CCC(C)CC1)C(=O)NCc1cccc(O)c1O ZINC001123890443 1095473678 /nfs/dbraw/zinc/47/36/78/1095473678.db2.gz YSGWNSVDYVZXSO-RAXLEYEMSA-N 0 0 303.402 3.487 20 10 DGCDRN O=C(CCn1cnnn1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC001124109182 1095540274 /nfs/dbraw/zinc/54/02/74/1095540274.db2.gz SIGQFBMGPVQVMQ-UHFFFAOYSA-N 0 0 321.344 3.117 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)[C@H]3CC[C@@H](C)C3)CC2)cc1 ZINC001116480349 1095571275 /nfs/dbraw/zinc/57/12/75/1095571275.db2.gz IWFNNCRAWGPREA-CVEARBPZSA-N 0 0 316.445 3.170 20 10 DGCDRN Cc1conc1NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC001116718357 1095642045 /nfs/dbraw/zinc/64/20/45/1095642045.db2.gz UUCCCNPEKZZICG-UHFFFAOYSA-N 0 0 316.405 3.492 20 10 DGCDRN Cc1nc(C)c(NCc2cc(Br)ccc2O)nc1C ZINC001171176209 1095649921 /nfs/dbraw/zinc/64/99/21/1095649921.db2.gz ZFZYXKQOPAVAFW-UHFFFAOYSA-N 0 0 322.206 3.482 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001116811592 1095666209 /nfs/dbraw/zinc/66/62/09/1095666209.db2.gz ITOKZWSWRYEJRH-CHWSQXEVSA-N 0 0 320.389 3.321 20 10 DGCDRN [O-]c1cccc(F)c1C[NH+]1CCC(COc2cccnc2)CC1 ZINC001137833027 1095755384 /nfs/dbraw/zinc/75/53/84/1095755384.db2.gz QAJHMFPQVRQFFV-UHFFFAOYSA-N 0 0 316.376 3.217 20 10 DGCDRN Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3c([O-])cccc3F)C2)c1 ZINC001137841314 1095759644 /nfs/dbraw/zinc/75/96/44/1095759644.db2.gz ABFAXEWQYKJPBL-CQSZACIVSA-N 0 0 316.376 3.278 20 10 DGCDRN Cc1nc([C@H](C)NCc2ccc(N3CCCCC3)cc2)no1 ZINC001117600912 1095786578 /nfs/dbraw/zinc/78/65/78/1095786578.db2.gz PUOGFJLBTNJDSF-ZDUSSCGKSA-N 0 0 300.406 3.219 20 10 DGCDRN O=C(N1CCc2cccc(O)c2C1)C12CC3CC(CC(C3)C1)C2 ZINC001144766683 1095808460 /nfs/dbraw/zinc/80/84/60/1095808460.db2.gz OOSPLYDAASIYPD-UHFFFAOYSA-N 0 0 311.425 3.493 20 10 DGCDRN O=C(Nc1cccc2c1CN(C1CC1)C2)C1=CC(=O)CS1 ZINC001137992745 1095821917 /nfs/dbraw/zinc/82/19/17/1095821917.db2.gz KWGBUBDXXILOTB-UHFFFAOYSA-N 0 0 300.383 3.184 20 10 DGCDRN COc1cccc(C[N@H+](C)Cc2cccc(F)c2[O-])c1OC ZINC001138129522 1095897540 /nfs/dbraw/zinc/89/75/40/1095897540.db2.gz IPXIKEFAIXBOHR-UHFFFAOYSA-N 0 0 305.349 3.181 20 10 DGCDRN Cc1ccnc(O[C@H]2CCC[N@H+](Cc3cccc(F)c3[O-])C2)c1 ZINC001138130797 1095900160 /nfs/dbraw/zinc/90/01/60/1095900160.db2.gz IEILSXDSPUJPRR-HNNXBMFYSA-N 0 0 316.376 3.278 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCC[C@H](F)C2)cc1 ZINC001118334213 1095983714 /nfs/dbraw/zinc/98/37/14/1095983714.db2.gz VEVFKKGFVLGOKH-GJZGRUSLSA-N 0 0 322.424 3.118 20 10 DGCDRN CC(C)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1F ZINC001146406046 1096032015 /nfs/dbraw/zinc/03/20/15/1096032015.db2.gz CHNIKRYYJIAGER-GOSISDBHSA-N 0 0 317.360 3.293 20 10 DGCDRN CN(C)c1cc(F)c(CNCc2noc3c2CCCC3)cc1F ZINC001118860279 1096094850 /nfs/dbraw/zinc/09/48/50/1096094850.db2.gz LKEMWGSHRZRTJS-UHFFFAOYSA-N 0 0 321.371 3.187 20 10 DGCDRN O=C(CC1=CCCCC1)N1CCCc2cc(O)c(O)cc2C1 ZINC001146735350 1096098362 /nfs/dbraw/zinc/09/83/62/1096098362.db2.gz LQGOHZZSCOAIOO-UHFFFAOYSA-N 0 0 301.386 3.263 20 10 DGCDRN O=C([O-])c1ccccc1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001119096628 1096133340 /nfs/dbraw/zinc/13/33/40/1096133340.db2.gz ICAWWOXMUABGLT-UHFFFAOYSA-N 0 0 310.397 3.275 20 10 DGCDRN C[C@@]1(c2ccccc2)C[C@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC001119152566 1096138064 /nfs/dbraw/zinc/13/80/64/1096138064.db2.gz ZYHUWPNYUCGWHN-MJGOQNOKSA-N 0 0 308.381 3.148 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CNc2ccccc21 ZINC001341399703 1096169405 /nfs/dbraw/zinc/16/94/05/1096169405.db2.gz UPFDYSGQCAVZPS-MRXNPFEDSA-N 0 0 310.397 3.340 20 10 DGCDRN CC(C)CSCCCNC(=O)NCc1c(O)cccc1F ZINC001224247360 1096171696 /nfs/dbraw/zinc/17/16/96/1096171696.db2.gz OWKLTMOHULSPML-UHFFFAOYSA-N 0 0 314.426 3.110 20 10 DGCDRN C[C@@H](NC(=O)NC[C@@H]1CCC2(CCC2)CO1)c1ccccc1O ZINC001119444762 1096202425 /nfs/dbraw/zinc/20/24/25/1096202425.db2.gz GSZRCQDUUXAHKX-KGLIPLIRSA-N 0 0 318.417 3.102 20 10 DGCDRN CC(C)Nc1ccccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001147706459 1096259670 /nfs/dbraw/zinc/25/96/70/1096259670.db2.gz ABLMDDWOEMUYAW-UHFFFAOYSA-N 0 0 300.358 3.099 20 10 DGCDRN O=C(Nc1cc(Cl)cc2ncoc21)c1cccc(O)c1O ZINC001148218912 1096327462 /nfs/dbraw/zinc/32/74/62/1096327462.db2.gz NVZVEGRGDUNCJO-UHFFFAOYSA-N 0 0 304.689 3.145 20 10 DGCDRN Cc1c(C)c(NC(=O)c2cccc(O)c2O)c(C)c(C)c1N ZINC001148218893 1096328599 /nfs/dbraw/zinc/32/85/99/1096328599.db2.gz MKNSSEFCGREESN-UHFFFAOYSA-N 0 0 300.358 3.166 20 10 DGCDRN O=C(Nc1cc(Cl)cc2[nH]ccc21)c1cc(O)c(O)c(O)c1 ZINC001148586379 1096407606 /nfs/dbraw/zinc/40/76/06/1096407606.db2.gz MKDRTFJMRHHAHO-UHFFFAOYSA-N 0 0 318.716 3.190 20 10 DGCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@H]1COC(C)(C)O1 ZINC001171353549 1096526737 /nfs/dbraw/zinc/52/67/37/1096526737.db2.gz NDRUHDWWEYYMEC-RDJZCZTQSA-N 0 0 319.445 3.481 20 10 DGCDRN CC(=O)Nc1nc(C)cc(NCc2cc3ccccc3cc2O)n1 ZINC001171403146 1096673158 /nfs/dbraw/zinc/67/31/58/1096673158.db2.gz ZJKCREHCLSXIDM-UHFFFAOYSA-N 0 0 322.368 3.214 20 10 DGCDRN CCCCCC[C@H](CC)Oc1c(O)c(O)c(O)c(O)c1O ZINC001226469443 1096696764 /nfs/dbraw/zinc/69/67/64/1096696764.db2.gz UGFMGSSIYCPGDG-VIFPVBQESA-N 0 0 300.351 3.342 20 10 DGCDRN C/C=C/[C@@H](Oc1c(O)c(O)c(O)c(O)c1O)C1CCCCC1 ZINC001226469479 1096697165 /nfs/dbraw/zinc/69/71/65/1096697165.db2.gz UQDNCMYXBUAOEY-GCEAOBNSSA-N 0 0 310.346 3.118 20 10 DGCDRN COc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c(F)c1 ZINC001171528605 1096919286 /nfs/dbraw/zinc/91/92/86/1096919286.db2.gz MZWOOURBKRWQSP-UHFFFAOYSA-N 0 0 316.292 3.249 20 10 DGCDRN O=C1CCC(Oc2cccc3c2C(=O)c2ccccc2C3=O)CC1 ZINC001228072802 1097044772 /nfs/dbraw/zinc/04/47/72/1097044772.db2.gz FTJOWJOBBGBQTK-UHFFFAOYSA-N 0 0 320.344 3.353 20 10 DGCDRN C[C@H]1OCC[C@H]1COc1cccc2c1C(=O)c1ccccc1C2=O ZINC001228072496 1097045105 /nfs/dbraw/zinc/04/51/05/1097045105.db2.gz AHYALNFTERGILC-OLZOCXBDSA-N 0 0 322.360 3.266 20 10 DGCDRN C[C@@H]1C[C@@H](Oc2cccc3c2C(=O)c2ccccc2C3=O)CCO1 ZINC001228080254 1097047734 /nfs/dbraw/zinc/04/77/34/1097047734.db2.gz SEZJYBVVOQYIPP-OLZOCXBDSA-N 0 0 322.360 3.408 20 10 DGCDRN CC[C@H](Oc1ccc(N2CCN(C(C)=O)CC2)cc1)C(C)C ZINC001228199708 1097071709 /nfs/dbraw/zinc/07/17/09/1097071709.db2.gz PXYVFCZEMPHQKT-SFHVURJKSA-N 0 0 304.434 3.169 20 10 DGCDRN CC(=O)N1CCN(c2ccc(O[C@H](C)c3ccco3)cc2)CC1 ZINC001228199179 1097072066 /nfs/dbraw/zinc/07/20/66/1097072066.db2.gz FMLJMFBFXBZKJA-CQSZACIVSA-N 0 0 314.385 3.088 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN([C@H]2COC(C)(C)C2)C1 ZINC001172287289 1097104779 /nfs/dbraw/zinc/10/47/79/1097104779.db2.gz SRNKFSVKWHVLLJ-CYBMUJFWSA-N 0 0 314.429 3.113 20 10 DGCDRN COc1cc(-c2noc(-c3nnsc3C3CC3)n2)ccc1C ZINC001212679497 1097226754 /nfs/dbraw/zinc/22/67/54/1097226754.db2.gz GOBIVIGSVUSHGG-UHFFFAOYSA-N 0 0 314.370 3.450 20 10 DGCDRN CC(C)c1snnc1-c1nc(-c2ccccc2N(C)C)no1 ZINC001212687129 1097260010 /nfs/dbraw/zinc/26/00/10/1097260010.db2.gz CWNDQEPZBSHGCY-UHFFFAOYSA-N 0 0 315.402 3.445 20 10 DGCDRN CCC(CC)NC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001230195233 1097456515 /nfs/dbraw/zinc/45/65/15/1097456515.db2.gz LFRGFWGYDIJSNX-AWEZNQCLSA-N 0 0 305.466 3.480 20 10 DGCDRN COc1ncc(Nc2ccccc2Cc2ccc(N)cc2)cn1 ZINC001174034796 1097594515 /nfs/dbraw/zinc/59/45/15/1097594515.db2.gz CAOZRNSHUCGKLM-UHFFFAOYSA-N 0 0 306.369 3.402 20 10 DGCDRN Nc1ccc(N(c2ccc(N)cc2)c2ccc3ncnn3c2)cc1 ZINC001174375597 1097701616 /nfs/dbraw/zinc/70/16/16/1097701616.db2.gz HFWPHMHGRKPXKS-UHFFFAOYSA-N 0 0 316.368 3.364 20 10 DGCDRN CC(C)n1cnc2cc(N(CCO)c3ccc(N)cc3)ccc21 ZINC001174381229 1097703941 /nfs/dbraw/zinc/70/39/41/1097703941.db2.gz KBPMZOCUQPTDKO-UHFFFAOYSA-N 0 0 310.401 3.330 20 10 DGCDRN CC[C@H](C)Oc1cc(O)ccc1C(=O)c1ccc(O)c(O)c1 ZINC001231339533 1097725104 /nfs/dbraw/zinc/72/51/04/1097725104.db2.gz AKKXLRKCILFJEK-JTQLQIEISA-N 0 0 302.326 3.212 20 10 DGCDRN O=C([O-])c1ccc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)c(O)c1 ZINC001231452146 1097751941 /nfs/dbraw/zinc/75/19/41/1097751941.db2.gz FNVWRSKDKBXFJZ-ZDUSSCGKSA-N 0 0 315.344 3.219 20 10 DGCDRN CC[N@H+](Cc1ccc(C(=O)[O-])cc1O)Cc1ccccc1F ZINC001231455892 1097753330 /nfs/dbraw/zinc/75/33/30/1097753330.db2.gz WNZWRXJAVAPGJN-UHFFFAOYSA-N 0 0 303.333 3.252 20 10 DGCDRN O=C([O-])c1ccc(O)c(C[N@H+]2CC=C(c3ccccc3)CC2)c1 ZINC001231566043 1097780633 /nfs/dbraw/zinc/78/06/33/1097780633.db2.gz OGXLNYBCBYQOPP-UHFFFAOYSA-N 0 0 309.365 3.380 20 10 DGCDRN CCOCc1cnc2n1CCN(Cc1cccc(C)c1O)[C@H]2C ZINC001231593267 1097787561 /nfs/dbraw/zinc/78/75/61/1097787561.db2.gz TYBSZLFJAVDBLX-AWEZNQCLSA-N 0 0 315.417 3.010 20 10 DGCDRN Cc1cccc(CN2CC[C@H](N3CCCCC3)C(F)(F)C2)c1O ZINC001231594580 1097788596 /nfs/dbraw/zinc/78/85/96/1097788596.db2.gz IKEGQABMYBROLG-INIZCTEOSA-N 0 0 324.415 3.396 20 10 DGCDRN Cc1nc([C@@H]2COCCN2Cc2c(C)cc(C)cc2O)cs1 ZINC001231844232 1097862536 /nfs/dbraw/zinc/86/25/36/1097862536.db2.gz JMSFBKYANLBJJN-INIZCTEOSA-N 0 0 318.442 3.347 20 10 DGCDRN COc1cc(N(C)C)ccc1CN1CCC[C@H]1C(F)(F)F ZINC001231851479 1097864915 /nfs/dbraw/zinc/86/49/15/1097864915.db2.gz IBWSWODSCYLMGD-AWEZNQCLSA-N 0 0 302.340 3.288 20 10 DGCDRN CC[N@H+](Cc1ccccc1O)Cc1ccc(N(C)C)cc1OC ZINC001231855063 1097865600 /nfs/dbraw/zinc/86/56/00/1097865600.db2.gz PYTJAVRBMBSERQ-UHFFFAOYSA-N 0 0 314.429 3.489 20 10 DGCDRN Cc1cc(O)c(CN2CCO[C@@H](c3ccccn3)C2)cc1Cl ZINC001231870678 1097872222 /nfs/dbraw/zinc/87/22/22/1097872222.db2.gz NWAYPVVMUILOJR-QGZVFWFLSA-N 0 0 318.804 3.323 20 10 DGCDRN FC1(F)CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232196653 1097962064 /nfs/dbraw/zinc/96/20/64/1097962064.db2.gz DRGYCNGUUPWIDJ-UHFFFAOYSA-N 0 0 316.779 3.018 20 10 DGCDRN Nc1ccc(-c2ccc(Nc3ccncc3F)c(O)c2)cc1O ZINC001175202245 1097965479 /nfs/dbraw/zinc/96/54/79/1097965479.db2.gz QFNTUYSQAWVDMY-UHFFFAOYSA-N 0 0 311.316 3.047 20 10 DGCDRN COc1cc(O)c(CN2CC3(C2)C[C@H](F)CS3)cc1Cl ZINC001232269204 1097989105 /nfs/dbraw/zinc/98/91/05/1097989105.db2.gz SVECTXVHSNEBKS-JTQLQIEISA-N 0 0 317.813 3.084 20 10 DGCDRN CCOc1ccc(N(CC(=O)NCC(C)(C)C)CC2CC2)cc1 ZINC001175371183 1098027862 /nfs/dbraw/zinc/02/78/62/1098027862.db2.gz CJFWPIWFFILRPI-UHFFFAOYSA-N 0 0 318.461 3.464 20 10 DGCDRN Nc1ccc(N(CCO)c2c(F)c(F)c(F)c(F)c2F)cc1 ZINC001175385623 1098031339 /nfs/dbraw/zinc/03/13/39/1098031339.db2.gz VOBPVDIHAPKZMN-UHFFFAOYSA-N 0 0 318.245 3.095 20 10 DGCDRN CCC[N@H+](CCOC)Cc1c([O-])cc(Br)cc1F ZINC001233026756 1098206662 /nfs/dbraw/zinc/20/66/62/1098206662.db2.gz DRADLLYAWVCGCA-UHFFFAOYSA-N 0 0 320.202 3.152 20 10 DGCDRN CN(CC[N@H+](C)Cc1ccc(F)c(F)c1[O-])Cc1ccccc1 ZINC001233078989 1098220609 /nfs/dbraw/zinc/22/06/09/1098220609.db2.gz RDTAQWQTXFSEDE-UHFFFAOYSA-N 0 0 320.383 3.234 20 10 DGCDRN CC(C)(C)c1ccc(O)c(CN2CC(Oc3cccnc3)C2)c1 ZINC001233286052 1098275011 /nfs/dbraw/zinc/27/50/11/1098275011.db2.gz COLTZACYKRBOKF-UHFFFAOYSA-N 0 0 312.413 3.348 20 10 DGCDRN CC(C)(C)c1ccc(O)c(CN2CCN(C(C)(C)C)C(=O)C2)c1 ZINC001233286342 1098276935 /nfs/dbraw/zinc/27/69/35/1098276935.db2.gz PKKVMIZNCYTMHE-UHFFFAOYSA-N 0 0 318.461 3.132 20 10 DGCDRN CN(Cc1cnc(Cl)s1)Cc1c(O)ccc(F)c1F ZINC001233332435 1098291270 /nfs/dbraw/zinc/29/12/70/1098291270.db2.gz KZYWLTLWLJQZEF-UHFFFAOYSA-N 0 0 304.749 3.412 20 10 DGCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CC[C@H](OCc2ccccc2)C1 ZINC001233334837 1098291738 /nfs/dbraw/zinc/29/17/38/1098291738.db2.gz VVZYTRHAHAKPLI-AWEZNQCLSA-N 0 0 319.351 3.462 20 10 DGCDRN Oc1ccc(F)c(F)c1CN1CCN(c2ccccc2F)CC1 ZINC001233334854 1098292997 /nfs/dbraw/zinc/29/29/97/1098292997.db2.gz WXKWTVDOLANSOK-UHFFFAOYSA-N 0 0 322.330 3.132 20 10 DGCDRN Nc1ccc(CN2CCCc3cc(O)c(O)cc3C2)c(Cl)c1 ZINC001233377138 1098307434 /nfs/dbraw/zinc/30/74/34/1098307434.db2.gz PWUNGGUBRCJYSM-UHFFFAOYSA-N 0 0 318.804 3.282 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C[C@@]1(C)O ZINC001233416025 1098321821 /nfs/dbraw/zinc/32/18/21/1098321821.db2.gz STXXWWKVDICUMI-QMTHXVAHSA-N 0 0 303.324 3.004 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC[C@]3(CCOC3)C2)cccc1C(F)(F)F ZINC001233416240 1098323125 /nfs/dbraw/zinc/32/31/25/1098323125.db2.gz BFCVWHVWCIPUEL-AWEZNQCLSA-N 0 0 301.308 3.023 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C[C@]1(C)O ZINC001233416026 1098323636 /nfs/dbraw/zinc/32/36/36/1098323636.db2.gz STXXWWKVDICUMI-YGRLFVJLSA-N 0 0 303.324 3.004 20 10 DGCDRN CC[N@H+](CCn1ccnc1)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233419136 1098324337 /nfs/dbraw/zinc/32/43/37/1098324337.db2.gz KRXCJENTKRZLEI-UHFFFAOYSA-N 0 0 313.323 3.130 20 10 DGCDRN O=C1CCC[C@@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3[O-])C[C@@H]12 ZINC001233419643 1098325838 /nfs/dbraw/zinc/32/58/38/1098325838.db2.gz HHIGLGRWHPUSFM-ZYHUDNBSSA-N 0 0 313.319 3.212 20 10 DGCDRN Oc1c(CN2Cc3ncsc3C2)cccc1C(F)(F)F ZINC001233419435 1098325872 /nfs/dbraw/zinc/32/58/72/1098325872.db2.gz XJKWBXNUZYMNOH-UHFFFAOYSA-N 0 0 300.305 3.383 20 10 DGCDRN CN(Cc1nccs1)Cc1cccc(C(F)(F)F)c1O ZINC001233418287 1098325973 /nfs/dbraw/zinc/32/59/73/1098325973.db2.gz AIWUQEAAROLRSV-UHFFFAOYSA-N 0 0 302.321 3.500 20 10 DGCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@H](C)c1ncccn1 ZINC001233495623 1098351028 /nfs/dbraw/zinc/35/10/28/1098351028.db2.gz QCEMUNOMVCJJAI-SNVBAGLBSA-N 0 0 302.330 3.011 20 10 DGCDRN CCOC(=O)N1CCC(Oc2ccc3c(c2)CCN3CC)CC1 ZINC001233601038 1098386227 /nfs/dbraw/zinc/38/62/27/1098386227.db2.gz GCLKCZYBQXQLFA-UHFFFAOYSA-N 0 0 318.417 3.069 20 10 DGCDRN Nc1ccc(N(CCO)c2ccc(-c3ccncc3)cc2)cc1 ZINC001176696974 1098408723 /nfs/dbraw/zinc/40/87/23/1098408723.db2.gz ASNQYBYKJWZGKC-UHFFFAOYSA-N 0 0 305.381 3.461 20 10 DGCDRN CC(C)(C)Cc1ncc(C(=O)NCc2cc(O)ccc2O)s1 ZINC001176755098 1098434176 /nfs/dbraw/zinc/43/41/76/1098434176.db2.gz LYHZQQYUMMWCKX-UHFFFAOYSA-N 0 0 320.414 3.073 20 10 DGCDRN COc1ccccc1[C@H](C)Oc1nc[nH]c2cc(=O)c(O)cc1-2 ZINC001233950248 1098465424 /nfs/dbraw/zinc/46/54/24/1098465424.db2.gz SZGYXXPSVSOYLU-JTQLQIEISA-N 0 0 312.325 3.190 20 10 DGCDRN Cc1ccc2c(c1)CC[C@H]2Oc1nc[nH]c2cc(=O)c(O)cc1-2 ZINC001233949833 1098465691 /nfs/dbraw/zinc/46/56/91/1098465691.db2.gz PDRKUJWFCPJKJC-QGZVFWFLSA-N 0 0 308.337 3.416 20 10 DGCDRN C[C@H](Oc1nc[nH]c2cc(=O)c(O)cc1-2)c1cccc(F)c1 ZINC001233950571 1098465746 /nfs/dbraw/zinc/46/57/46/1098465746.db2.gz YUPKPEOXLONGFO-VIFPVBQESA-N 0 0 300.289 3.320 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ncccc1C ZINC001177455658 1098533788 /nfs/dbraw/zinc/53/37/88/1098533788.db2.gz HCWRHUZLCNWQKW-UHFFFAOYSA-N 0 0 311.429 3.047 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNCc1nccn1C(F)F ZINC001177515499 1098545073 /nfs/dbraw/zinc/54/50/73/1098545073.db2.gz VSYNHSYUYSGVGG-UHFFFAOYSA-N 0 0 304.344 3.368 20 10 DGCDRN Cc1cc(C)c(CNC(=O)[C@H]2C[C@@H]2c2cccs2)c(O)c1 ZINC001177552809 1098547867 /nfs/dbraw/zinc/54/78/67/1098547867.db2.gz VKCOZIWHCHWIHX-STQMWFEESA-N 0 0 301.411 3.490 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H]1CCOc2ccccc21 ZINC001234474723 1098563895 /nfs/dbraw/zinc/56/38/95/1098563895.db2.gz WNXMXNNBKNZKDV-MRXNPFEDSA-N 0 0 300.310 3.203 20 10 DGCDRN COc1ccccc1[C@H](C)Oc1cc(O)c(O)cc1C(C)=O ZINC001234473375 1098564379 /nfs/dbraw/zinc/56/43/79/1098564379.db2.gz FQGMJUWOJDAATF-NSHDSACASA-N 0 0 302.326 3.449 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H](C)COc1ccc(C)cc1 ZINC001234476718 1098566681 /nfs/dbraw/zinc/56/66/81/1098566681.db2.gz OHFFTNHPWPHJER-LBPRGKRZSA-N 0 0 316.353 3.455 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3CC[C@](C)(O)[C@H](C)C3)c2c1 ZINC001234526253 1098580529 /nfs/dbraw/zinc/58/05/29/1098580529.db2.gz RMXBERSNCNWRHF-YJYMSZOUSA-N 0 0 315.413 3.147 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H]4CCO[C@H]4C3)c2c1 ZINC001234526092 1098581450 /nfs/dbraw/zinc/58/14/50/1098581450.db2.gz QIHRNCNZFXYFMO-KUHUBIRLSA-N 0 0 313.397 3.165 20 10 DGCDRN COc1cc(NC(C)=O)ccc1NCc1cc(F)cc(F)c1O ZINC001178228305 1098763684 /nfs/dbraw/zinc/76/36/84/1098763684.db2.gz AQGLHYHWFQZOBO-UHFFFAOYSA-N 0 0 322.311 3.250 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cscc1C(F)F ZINC001178413448 1098828959 /nfs/dbraw/zinc/82/89/59/1098828959.db2.gz RXSSCPFVHDTWJK-UHFFFAOYSA-N 0 0 301.289 3.460 20 10 DGCDRN COc1ccc(CN2CCCC[C@@]23CCC[NH2+]C3)c([O-])c1Cl ZINC001235176622 1098857346 /nfs/dbraw/zinc/85/73/46/1098857346.db2.gz CUBLUAGUQKEZHQ-KRWDZBQOSA-N 0 0 324.852 3.162 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1ccsc1C(F)(F)F ZINC001178917229 1098971032 /nfs/dbraw/zinc/97/10/32/1098971032.db2.gz MIOBWFSKYHOMBO-UHFFFAOYSA-N 0 0 317.288 3.108 20 10 DGCDRN O=C(/C=C/c1cc(F)cc(F)c1)N1CCc2cccc(O)c2C1 ZINC001179566679 1099131199 /nfs/dbraw/zinc/13/11/99/1099131199.db2.gz BCDMQYOEICEZQN-SNAWJCMRSA-N 0 0 315.319 3.269 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cc(F)cc2cccnc21 ZINC001179687109 1099163490 /nfs/dbraw/zinc/16/34/90/1099163490.db2.gz AOTCFRMHFHJTKD-GQCTYLIASA-N 0 0 324.311 3.437 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)N[C@H]2CCc3c2cccc3O)cc1 ZINC001180130458 1099309257 /nfs/dbraw/zinc/30/92/57/1099309257.db2.gz PJQQGGXZRYWNEW-RORWEDLISA-N 0 0 322.408 3.275 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)N2CC[C@H](c3cccnc3)C2)cc1 ZINC001180125649 1099322853 /nfs/dbraw/zinc/32/28/53/1099322853.db2.gz LMYRXTMSPAYMGQ-HKMNZKMDSA-N 0 0 321.424 3.177 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)Nc2cccc3nccnc32)cc1 ZINC001180128103 1099323468 /nfs/dbraw/zinc/32/34/68/1099323468.db2.gz BKKXIYHXLCXJSG-DHZHZOJOSA-N 0 0 318.380 3.348 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)N2CCc3cccc(O)c3C2)cc1 ZINC001180126239 1099324000 /nfs/dbraw/zinc/32/40/00/1099324000.db2.gz KWAKEYUIUHIPIV-DHZHZOJOSA-N 0 0 322.408 3.056 20 10 DGCDRN O=c1cc(-c2cccnc2N2CCCC2)ccn1CC(F)(F)F ZINC001236133878 1099422165 /nfs/dbraw/zinc/42/21/65/1099422165.db2.gz JWGLXIORRIOOJC-UHFFFAOYSA-N 0 0 323.318 3.073 20 10 DGCDRN CCCC[C@@H]1CN(Cc2ccc(OC)c(Cl)c2[O-])CC[NH2+]1 ZINC001236140761 1099425984 /nfs/dbraw/zinc/42/59/84/1099425984.db2.gz GAMPONCRTKYTOY-CYBMUJFWSA-N 0 0 312.841 3.018 20 10 DGCDRN CCCC[C@@H]1CN(Cc2cc(F)cc(Cl)c2[O-])CC[NH2+]1 ZINC001236141219 1099426010 /nfs/dbraw/zinc/42/60/10/1099426010.db2.gz IUZFLCMFEUVECX-CYBMUJFWSA-N 0 0 300.805 3.149 20 10 DGCDRN Cc1cc(C)c(CNC(=O)CCc2nc3ccccc3[nH]2)c(O)c1 ZINC001180591629 1099468408 /nfs/dbraw/zinc/46/84/08/1099468408.db2.gz GRSFAODBGZJUCV-UHFFFAOYSA-N 0 0 323.396 3.134 20 10 DGCDRN Cc1cc(C)c(CNC(=O)Cc2c[nH]c3ccc(O)cc23)c(O)c1 ZINC001180663833 1099487120 /nfs/dbraw/zinc/48/71/20/1099487120.db2.gz DXILFYROOIMVPC-UHFFFAOYSA-N 0 0 324.380 3.055 20 10 DGCDRN Nc1cccc2c1CCN(Cc1c(O)ccc(F)c1Cl)C2 ZINC001236365105 1099553274 /nfs/dbraw/zinc/55/32/74/1099553274.db2.gz CVPQSPGZGKTYJD-UHFFFAOYSA-N 0 0 306.768 3.325 20 10 DGCDRN COc1ccc(Cl)cc1NC(=O)NCc1cccc(O)c1O ZINC001187937025 1099639145 /nfs/dbraw/zinc/63/91/45/1099639145.db2.gz DCRXQORELXMASC-UHFFFAOYSA-N 0 0 322.748 3.082 20 10 DGCDRN CC(C)Oc1cncc(-c2ccn(CC(F)(F)F)c(=O)c2)c1 ZINC001236521448 1099656973 /nfs/dbraw/zinc/65/69/73/1099656973.db2.gz MZUBBFIMIIZKQG-UHFFFAOYSA-N 0 0 312.291 3.260 20 10 DGCDRN Cc1n[nH]cc1C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001188057690 1099672905 /nfs/dbraw/zinc/67/29/05/1099672905.db2.gz AOEKUKAKBXYZHV-UHFFFAOYSA-N 0 0 306.369 3.147 20 10 DGCDRN CSc1cccc(NC(=O)NCc2cccc(O)c2O)c1 ZINC001188067092 1099675713 /nfs/dbraw/zinc/67/57/13/1099675713.db2.gz NKOKVLMOUSHGMT-UHFFFAOYSA-N 0 0 304.371 3.141 20 10 DGCDRN O=C1c2ccccc2-c2cccc(NS(=O)(=O)C3CCC3)c21 ZINC001188137367 1099694486 /nfs/dbraw/zinc/69/44/86/1099694486.db2.gz ANJOPJGXPHFQKO-UHFFFAOYSA-N 0 0 313.378 3.192 20 10 DGCDRN Cc1cc(Br)c(O)c(CN2CCC(=O)C[C@@H]2C)c1 ZINC001236664355 1099728744 /nfs/dbraw/zinc/72/87/44/1099728744.db2.gz SVUMSRAVSRUHKG-JTQLQIEISA-N 0 0 312.207 3.017 20 10 DGCDRN COc1cc(CN2CCC[C@@H](F)C2)c(O)cc1Br ZINC001236746707 1099770434 /nfs/dbraw/zinc/77/04/34/1099770434.db2.gz JWLYEMUMRIOBAX-SNVBAGLBSA-N 0 0 318.186 3.097 20 10 DGCDRN CCc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)c(O)c1 ZINC001236788651 1099785052 /nfs/dbraw/zinc/78/50/52/1099785052.db2.gz WDPJCAMRMAJQCW-RBUKOAKNSA-N 0 0 311.425 3.133 20 10 DGCDRN CCc1ccc(CN(Cc2cocn2)Cc2cocn2)c(O)c1 ZINC001236791329 1099788732 /nfs/dbraw/zinc/78/87/32/1099788732.db2.gz GNJBQCVEFRKUHV-UHFFFAOYSA-N 0 0 313.357 3.133 20 10 DGCDRN Oc1cc(Cl)c(Cl)cc1CN1CC2(C1)CC(F)(F)CO2 ZINC001236797650 1099790830 /nfs/dbraw/zinc/79/08/30/1099790830.db2.gz DGIZNCPMFNRVBD-UHFFFAOYSA-N 0 0 324.154 3.309 20 10 DGCDRN COc1ccc(C[N@@H+]2CC[C@@H](C)[C@](C)(O)CC2)c([O-])c1Cl ZINC001236801480 1099796676 /nfs/dbraw/zinc/79/66/76/1099796676.db2.gz JWWGZZSIMGCLKZ-BDJLRTHQSA-N 0 0 313.825 3.037 20 10 DGCDRN COc1ccc(C[N@@H+]2CCC[C@H]2C(C)(C)OC)c([O-])c1Cl ZINC001236808488 1099798793 /nfs/dbraw/zinc/79/87/93/1099798793.db2.gz BUSWVXDPVOUTRI-ZDUSSCGKSA-N 0 0 313.825 3.444 20 10 DGCDRN COc1ccc(C[N@H+](CCO)Cc2ccccc2)c([O-])c1Cl ZINC001236806233 1099799302 /nfs/dbraw/zinc/79/93/02/1099799302.db2.gz QZWJZWVGOBDQAP-UHFFFAOYSA-N 0 0 321.804 3.049 20 10 DGCDRN COC(=O)CC[N@H+](Cc1c(C)cc(OC)cc1O)C1CCCC1 ZINC001236813670 1099801581 /nfs/dbraw/zinc/80/15/81/1099801581.db2.gz MJVNAOPUKCWBFN-UHFFFAOYSA-N 0 0 321.417 3.017 20 10 DGCDRN COc1ccc(CN2CC[NH+](C3CCCC3)CC2)c([O-])c1Cl ZINC001236813887 1099802076 /nfs/dbraw/zinc/80/20/76/1099802076.db2.gz QZZDRBZLUZYQDE-UHFFFAOYSA-N 0 0 324.852 3.114 20 10 DGCDRN COc1cc(C)c(CN2CCCC[C@H]2c2noc(C)n2)c(O)c1 ZINC001236814084 1099803210 /nfs/dbraw/zinc/80/32/10/1099803210.db2.gz OXJUFBJYPDAZDD-HNNXBMFYSA-N 0 0 317.389 3.128 20 10 DGCDRN F[C@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(N2CCOCC2)cc1Cl ZINC001236917989 1099876662 /nfs/dbraw/zinc/87/66/62/1099876662.db2.gz DFYGYHWVUYOXAZ-QRTARXTBSA-N 0 0 324.827 3.109 20 10 DGCDRN CC(C)c1ccc(CN2CC(NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001237046992 1099941064 /nfs/dbraw/zinc/94/10/64/1099941064.db2.gz YGUAWJKTKFLJEU-UHFFFAOYSA-N 0 0 320.433 3.225 20 10 DGCDRN CC(C)c1ccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c(O)c1 ZINC001237044850 1099942147 /nfs/dbraw/zinc/94/21/47/1099942147.db2.gz DZUYMBQPQCSLRQ-AWEZNQCLSA-N 0 0 303.324 3.015 20 10 DGCDRN Oc1cc(OCC(F)(F)F)ccc1CN1CCC(F)(F)C1 ZINC001237052421 1099944646 /nfs/dbraw/zinc/94/46/46/1099944646.db2.gz YDCYAJJVJIIZEP-UHFFFAOYSA-N 0 0 311.250 3.174 20 10 DGCDRN C[N@@H+]1C[C@H]2CCCN(Cc3c(O)ccc(Cl)c3Cl)[C@@H]2C1 ZINC001237081859 1099961081 /nfs/dbraw/zinc/96/10/81/1099961081.db2.gz NPCMUZVYYOPAIY-ZWNOBZJWSA-N 0 0 315.244 3.225 20 10 DGCDRN CCOC(=O)[C@@H]1CCCN1Cc1c(O)ccc(Cl)c1Cl ZINC001237083249 1099961259 /nfs/dbraw/zinc/96/12/59/1099961259.db2.gz AILKWVRJDKBWSV-NSHDSACASA-N 0 0 318.200 3.227 20 10 DGCDRN C[C@@H]1CCN(Cc2c(O)cccc2OC(F)(F)F)C[C@H]1F ZINC001237119388 1099979531 /nfs/dbraw/zinc/97/95/31/1099979531.db2.gz HEARMOCXEJOGLT-MWLCHTKSSA-N 0 0 307.287 3.471 20 10 DGCDRN CC(C)(C)[NH+]1CCN(Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237127328 1099984669 /nfs/dbraw/zinc/98/46/69/1099984669.db2.gz YUMXUOGHRMODPS-UHFFFAOYSA-N 0 0 300.805 3.101 20 10 DGCDRN CN(Cc1nccs1)Cc1cc(C(F)(F)F)ccc1O ZINC001237138941 1099989415 /nfs/dbraw/zinc/98/94/15/1099989415.db2.gz AHISKJFWKAWATG-UHFFFAOYSA-N 0 0 302.321 3.500 20 10 DGCDRN CO[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2O)[C@H](C)C1 ZINC001237139702 1099989704 /nfs/dbraw/zinc/98/97/04/1099989704.db2.gz BWWGQEBWTSQEQT-MFKMUULPSA-N 0 0 303.324 3.410 20 10 DGCDRN COc1ccc(OC)c(CN(C)Cc2ccccc2O)c1F ZINC001237581830 1100180050 /nfs/dbraw/zinc/18/00/50/1100180050.db2.gz VMEOOHDWQIMSQU-UHFFFAOYSA-N 0 0 305.349 3.181 20 10 DGCDRN CCc1cccc(C)c1NC(=O)NCc1cccc(O)c1O ZINC001189997496 1100181300 /nfs/dbraw/zinc/18/13/00/1100181300.db2.gz HNNQTTGUUNQVEH-UHFFFAOYSA-N 0 0 300.358 3.290 20 10 DGCDRN Cc1cc(S(=O)(=O)Nc2ccc(N)cc2)c(C)cc1Cl ZINC001237604234 1100186083 /nfs/dbraw/zinc/18/60/83/1100186083.db2.gz BGUVWGRGXCJFQA-UHFFFAOYSA-N 0 0 310.806 3.340 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1CN1CCC([NH+]2CCCC2)CC1 ZINC001237619301 1100189304 /nfs/dbraw/zinc/18/93/04/1100189304.db2.gz MJMVWAXCIONWGR-UHFFFAOYSA-N 0 0 312.816 3.245 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@H+](CCO)Cc1cccs1 ZINC001237621379 1100192161 /nfs/dbraw/zinc/19/21/61/1100192161.db2.gz ZESUXHLQBSQDBM-UHFFFAOYSA-N 0 0 315.797 3.241 20 10 DGCDRN CCOC1CN(Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237641082 1100199521 /nfs/dbraw/zinc/19/95/21/1100199521.db2.gz KVLDTNVIWQVYMP-UHFFFAOYSA-N 0 0 301.361 3.419 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2ccccc2-n2ccnc2)c(O)c1 ZINC001190114196 1100209161 /nfs/dbraw/zinc/20/91/61/1100209161.db2.gz PRKLBOTYRRDEBR-UHFFFAOYSA-N 0 0 321.380 3.125 20 10 DGCDRN COc1cc(CN2CCCC[C@@H]2C(F)(F)F)c(O)c(OC)c1 ZINC001237676298 1100210532 /nfs/dbraw/zinc/21/05/32/1100210532.db2.gz NINGMVNQDQMDGW-CYBMUJFWSA-N 0 0 319.323 3.326 20 10 DGCDRN Cc1cc(O)c(CN2Cc3ccncc3C2)cc1Br ZINC001237679885 1100211909 /nfs/dbraw/zinc/21/19/09/1100211909.db2.gz VVRJARQUCIHUGF-UHFFFAOYSA-N 0 0 319.202 3.374 20 10 DGCDRN COc1cc(C[N@@H+]2Cc3ccccc3C[C@@H]2C)c(O)c(OC)c1 ZINC001237681637 1100212475 /nfs/dbraw/zinc/21/24/75/1100212475.db2.gz RCKJMHODRYWQAW-ZDUSSCGKSA-N 0 0 313.397 3.356 20 10 DGCDRN C[N@H+](Cc1cccc(I)c1[O-])C(C)(C)C ZINC001237780728 1100246445 /nfs/dbraw/zinc/24/64/45/1100246445.db2.gz WLHPLBJMRPRJFW-UHFFFAOYSA-N 0 0 319.186 3.227 20 10 DGCDRN CC[NH+](CC)[C@H]1CCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237799623 1100250558 /nfs/dbraw/zinc/25/05/58/1100250558.db2.gz SGVKHEAZMFGBBA-ZDUSSCGKSA-N 0 0 300.805 3.101 20 10 DGCDRN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC001237800833 1100251153 /nfs/dbraw/zinc/25/11/53/1100251153.db2.gz BYAGSSVTCIMFAE-AWEZNQCLSA-N 0 0 322.767 3.233 20 10 DGCDRN [O-]c1c(Cl)cc(F)cc1C[NH+]1CCC2(C[C@H](F)CO2)CC1 ZINC001237806392 1100253329 /nfs/dbraw/zinc/25/33/29/1100253329.db2.gz VEMORZXLCBYYHC-LBPRGKRZSA-N 0 0 317.763 3.278 20 10 DGCDRN C[C@H]1C[N@H+](Cc2cc(F)cc(Cl)c2[O-])CCC[C@]1(C)O ZINC001237807940 1100253939 /nfs/dbraw/zinc/25/39/39/1100253939.db2.gz OSJPKVFGJRFJKN-BONVTDFDSA-N 0 0 301.789 3.168 20 10 DGCDRN C[N@H+](C1CC1)C1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237807065 1100254032 /nfs/dbraw/zinc/25/40/32/1100254032.db2.gz YWTBVUMAKPLORG-UHFFFAOYSA-N 0 0 312.816 3.243 20 10 DGCDRN Cc1cc(F)cc(CN2[C@@H](C(F)(F)F)CCC[C@H]2CO)c1O ZINC001238057827 1100344221 /nfs/dbraw/zinc/34/42/21/1100344221.db2.gz OFJHRHKMMSDNNL-QWHCGFSZSA-N 0 0 321.314 3.117 20 10 DGCDRN FC(F)n1cc(-c2cc(N3CCc4ccccc43)ncn2)cn1 ZINC001238865620 1100548069 /nfs/dbraw/zinc/54/80/69/1100548069.db2.gz YWRZNMVOZNYTNS-UHFFFAOYSA-N 0 0 313.311 3.429 20 10 DGCDRN CC(C)Oc1cnc(F)c(-c2ccn(CC3CC3)c(=O)c2)c1 ZINC001238906909 1100555580 /nfs/dbraw/zinc/55/55/80/1100555580.db2.gz KNCAOMHBVWNUKF-UHFFFAOYSA-N 0 0 302.349 3.247 20 10 DGCDRN C[Si](C)(C)CCOCn1ccc2c1ncnc2-c1cnoc1 ZINC001239161507 1100590428 /nfs/dbraw/zinc/59/04/28/1100590428.db2.gz DVNIAXXYCNOJAB-UHFFFAOYSA-N 0 0 316.437 3.399 20 10 DGCDRN CCCC[C@H](C)NC(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001193051659 1100696374 /nfs/dbraw/zinc/69/63/74/1100696374.db2.gz AXLLFHJGFVLDEQ-LBPRGKRZSA-N 0 0 306.406 3.134 20 10 DGCDRN C=Cc1ccc(CNC(=O)c2ccc(O)c(O)c2Cl)cc1 ZINC001193236426 1100719274 /nfs/dbraw/zinc/71/92/74/1100719274.db2.gz CDTFUZXHABYPQC-UHFFFAOYSA-N 0 0 303.745 3.324 20 10 DGCDRN O=C(c1ccc(O)c(O)c1Cl)N1CCC[C@@H]1c1nccs1 ZINC001193232343 1100719693 /nfs/dbraw/zinc/71/96/93/1100719693.db2.gz INQMILLINOTBID-SECBINFHSA-N 0 0 324.789 3.185 20 10 DGCDRN O=C(Nc1cc(O)cc(Cl)c1)c1ccc(O)c(O)c1Cl ZINC001193228924 1100721975 /nfs/dbraw/zinc/72/19/75/1100721975.db2.gz AQNJNZFGDNWIQB-UHFFFAOYSA-N 0 0 314.124 3.363 20 10 DGCDRN CC(C)COC(=O)NCc1cc(Br)ccc1O ZINC001193864195 1100831282 /nfs/dbraw/zinc/83/12/82/1100831282.db2.gz NXXQSJBBMNAILR-UHFFFAOYSA-N 0 0 302.168 3.037 20 10 DGCDRN CSc1ncc(C(=O)NCc2c(C)cc(C)cc2O)cc1C ZINC001194340223 1100928065 /nfs/dbraw/zinc/92/80/65/1100928065.db2.gz KFGNSMFJPZOEQR-UHFFFAOYSA-N 0 0 316.426 3.364 20 10 DGCDRN COc1ccc(Cn2cc(-c3nccc4c3ccn4C)cn2)cc1 ZINC001240460131 1101006772 /nfs/dbraw/zinc/00/67/72/1101006772.db2.gz SRQZWBPDUWZBKL-UHFFFAOYSA-N 0 0 318.380 3.494 20 10 DGCDRN Cn1ccc2ccc(-c3cccn(Cc4cccnc4)c3=O)cc21 ZINC001240576233 1101056791 /nfs/dbraw/zinc/05/67/91/1101056791.db2.gz OOQBQDVFHYZQRN-UHFFFAOYSA-N 0 0 315.376 3.450 20 10 DGCDRN Cn1nncc1NC(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195261628 1101106943 /nfs/dbraw/zinc/10/69/43/1101106943.db2.gz HQKJVABSARNXHF-FMQUCBEESA-N 0 0 322.328 3.188 20 10 DGCDRN CCO[C@H](C)n1cc(-c2ccn(Cc3ccccc3)c(=O)c2)cn1 ZINC001240758413 1101125425 /nfs/dbraw/zinc/12/54/25/1101125425.db2.gz HAYNWPCMIBMMFF-OAHLLOKOSA-N 0 0 323.396 3.315 20 10 DGCDRN Cc1cc(F)ccc1NC(=S)NCc1cccc2ccnn21 ZINC001196145149 1101255995 /nfs/dbraw/zinc/25/59/95/1101255995.db2.gz VRUIJHMBLLSULI-UHFFFAOYSA-N 0 0 314.389 3.268 20 10 DGCDRN COc1cccc(CNC(=S)Nc2ccc(F)cc2C)n1 ZINC001196143736 1101256526 /nfs/dbraw/zinc/25/65/26/1101256526.db2.gz CVZMQSPAOODTNM-UHFFFAOYSA-N 0 0 305.378 3.024 20 10 DGCDRN CC(=O)c1ccc(NC(=S)NCc2ncccc2Cl)cc1 ZINC001196570455 1101333812 /nfs/dbraw/zinc/33/38/12/1101333812.db2.gz ABVOCZOIXPBHDY-UHFFFAOYSA-N 0 0 319.817 3.424 20 10 DGCDRN O=c1cnc(C2=CCN(c3ccccc3)CC2)cn1CC1CCC1 ZINC001241355425 1101400489 /nfs/dbraw/zinc/40/04/89/1101400489.db2.gz ZPIYZYKTLUCFAY-UHFFFAOYSA-N 0 0 321.424 3.337 20 10 DGCDRN COC(=O)c1cc2ccc(-c3cc(C)cnc3OC)cc2n1C ZINC001241365216 1101407076 /nfs/dbraw/zinc/40/70/76/1101407076.db2.gz WLPBDHHQSAMGAG-UHFFFAOYSA-N 0 0 310.353 3.344 20 10 DGCDRN COC(=O)c1cc2ccc(-c3cnc(OC)s3)cc2n1C ZINC001241414341 1101442549 /nfs/dbraw/zinc/44/25/49/1101442549.db2.gz XZNUCSJALUIKDA-UHFFFAOYSA-N 0 0 302.355 3.097 20 10 DGCDRN Cn1ncc2cccc(-c3ccn(Cc4ccccc4)c(=O)c3)c21 ZINC001241457950 1101476364 /nfs/dbraw/zinc/47/63/64/1101476364.db2.gz JLMLJBWMRAHECI-UHFFFAOYSA-N 0 0 315.376 3.450 20 10 DGCDRN CCOC(=O)c1cc2c(cc(C)nc2-c2cncs2)n1C ZINC001241496190 1101512055 /nfs/dbraw/zinc/51/20/55/1101512055.db2.gz RLHAWRVJUKJQHS-UHFFFAOYSA-N 0 0 301.371 3.182 20 10 DGCDRN Cc1cc(C(=O)NCc2c(C)cc(C)cc2O)nn1C1CCC1 ZINC001197444967 1101561815 /nfs/dbraw/zinc/56/18/15/1101561815.db2.gz XTGLDDIECXIHQN-UHFFFAOYSA-N 0 0 313.401 3.169 20 10 DGCDRN CN(C)c1ccc(CNC(=S)Nc2cccc(F)c2)cc1 ZINC001197660578 1101626308 /nfs/dbraw/zinc/62/63/08/1101626308.db2.gz LNQUQRSDDORUCT-UHFFFAOYSA-N 0 0 303.406 3.378 20 10 DGCDRN CCOc1ccc(-c2ccn(Cc3ccccc3F)c(=O)c2)cn1 ZINC001241706479 1101650449 /nfs/dbraw/zinc/65/04/49/1101650449.db2.gz SXHAOTQZIHFDOX-UHFFFAOYSA-N 0 0 324.355 3.496 20 10 DGCDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1Cc2cccc(O)c2C1 ZINC001197823079 1101683996 /nfs/dbraw/zinc/68/39/96/1101683996.db2.gz CYUFKXKTMXVTFP-UHFFFAOYSA-N 0 0 313.313 3.157 20 10 DGCDRN Cc1ccc(NC(=S)NCc2ccc(O)c(O)c2)c(C)c1 ZINC001198011710 1101727663 /nfs/dbraw/zinc/72/76/63/1101727663.db2.gz AXQCNLNMJQQUGL-UHFFFAOYSA-N 0 0 302.399 3.201 20 10 DGCDRN CC[C@H](C)n1c(=O)[nH]c(C)c(-c2cccc3c2ccn3C)c1=O ZINC001241823165 1101728060 /nfs/dbraw/zinc/72/80/60/1101728060.db2.gz VNAPOKHRRRUNGZ-NSHDSACASA-N 0 0 311.385 3.387 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2CC2CC2)c1O ZINC001198041432 1101747079 /nfs/dbraw/zinc/74/70/79/1101747079.db2.gz DXSRCVPKXBUMQF-OAHLLOKOSA-N 0 0 323.820 3.249 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=S)NC1CCCC1 ZINC001198539025 1101900475 /nfs/dbraw/zinc/90/04/75/1101900475.db2.gz DHIQNBNUSUZAOD-UHFFFAOYSA-N 0 0 305.491 3.392 20 10 DGCDRN C[C@@H](NS(=O)(=O)c1ccc2occc2c1)c1ccccc1O ZINC001198881969 1102020227 /nfs/dbraw/zinc/02/02/27/1102020227.db2.gz ZZUJQKJFFNJXSC-LLVKDONJSA-N 0 0 317.366 3.178 20 10 DGCDRN Cc1cc(C(=O)NCc2c(C)cc(C)cc2O)n(C(C)C)n1 ZINC001199224342 1102086777 /nfs/dbraw/zinc/08/67/77/1102086777.db2.gz JNCTXIUWNJCCIG-UHFFFAOYSA-N 0 0 301.390 3.025 20 10 DGCDRN Cc1c(C)n(Cc2ccco2)c2ncnc(-c3cncc(N)c3)c12 ZINC001242498572 1102172107 /nfs/dbraw/zinc/17/21/07/1102172107.db2.gz FASWZMSOZOIMOM-UHFFFAOYSA-N 0 0 319.368 3.334 20 10 DGCDRN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001199678581 1102180885 /nfs/dbraw/zinc/18/08/85/1102180885.db2.gz ORDUXJGIOKVSKK-JHJVBQTASA-N 0 0 312.404 3.126 20 10 DGCDRN CN(C)c1cncc(-c2ccn(Cc3ccc(F)cc3)c(=O)c2)c1 ZINC001242528604 1102188525 /nfs/dbraw/zinc/18/85/25/1102188525.db2.gz OGXUXHFGHPPEJO-UHFFFAOYSA-N 0 0 323.371 3.164 20 10 DGCDRN COc1cccnc1CNC(=S)Nc1ccccc1Cl ZINC001200867558 1102427631 /nfs/dbraw/zinc/42/76/31/1102427631.db2.gz MQDPGFRVKBSWKH-UHFFFAOYSA-N 0 0 307.806 3.230 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=S)NC(C)(C)C ZINC001200906358 1102432841 /nfs/dbraw/zinc/43/28/41/1102432841.db2.gz DIVSYJQRNIIQSO-UHFFFAOYSA-N 0 0 305.491 3.392 20 10 DGCDRN CSc1cncc(-c2ccn(Cc3ccccn3)c(=O)c2)c1 ZINC001242949839 1102435574 /nfs/dbraw/zinc/43/55/74/1102435574.db2.gz XNRZBYVDHMMJHP-UHFFFAOYSA-N 0 0 309.394 3.076 20 10 DGCDRN O=c1cc(-c2cnn3ccccc23)ccn1Cc1ccccc1 ZINC001242965202 1102446145 /nfs/dbraw/zinc/44/61/45/1102446145.db2.gz KFOGTFLPBCKRBQ-UHFFFAOYSA-N 0 0 301.349 3.211 20 10 DGCDRN CCS[C@H]1CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001200961785 1102446756 /nfs/dbraw/zinc/44/67/56/1102446756.db2.gz ZGGGQPPCYVZSQA-HIFRSBDPSA-N 0 0 310.419 3.454 20 10 DGCDRN Cc1nc2c(ccn2C)c(-c2cnccc2Br)n1 ZINC001243052289 1102499980 /nfs/dbraw/zinc/49/99/80/1102499980.db2.gz HPFWGFAYXWCGRL-UHFFFAOYSA-N 0 0 303.163 3.101 20 10 DGCDRN CSc1ccc(NC(=S)NCc2ccc(O)cc2O)cc1 ZINC001201189130 1102512049 /nfs/dbraw/zinc/51/20/49/1102512049.db2.gz IWUIMNHIDZJFCV-UHFFFAOYSA-N 0 0 320.439 3.306 20 10 DGCDRN CN(c1ccccc1)c1cc(-c2cnc3nccnc3c2)ncn1 ZINC001244042994 1103162193 /nfs/dbraw/zinc/16/21/93/1103162193.db2.gz XCSMKFBDYWOSPU-UHFFFAOYSA-N 0 0 314.352 3.250 20 10 DGCDRN CO[C@@H](C)C[N@H+](Cc1cccc(Br)c1[O-])C(C)C ZINC000688095283 1103197801 /nfs/dbraw/zinc/19/78/01/1103197801.db2.gz NPJFJXSLVPYJNT-NSHDSACASA-N 0 0 316.239 3.400 20 10 DGCDRN COC(=O)c1cnc(-c2ccc(Cl)cc2N)c2ccn(C)c21 ZINC001244197405 1103275144 /nfs/dbraw/zinc/27/51/44/1103275144.db2.gz IIMQZSUERZGCAS-UHFFFAOYSA-N 0 0 315.760 3.263 20 10 DGCDRN Cn1c(=O)cnc2ccc(-c3ccc(CC(F)(F)F)nc3)cc21 ZINC001244294615 1103340007 /nfs/dbraw/zinc/34/00/07/1103340007.db2.gz ZFIWGFCMKKVGCX-UHFFFAOYSA-N 0 0 319.286 3.100 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)c1occ2c1CCC2 ZINC001327167230 1103564379 /nfs/dbraw/zinc/56/43/79/1103564379.db2.gz PRKZNQZHJACEPC-UHFFFAOYSA-N 0 0 303.705 3.210 20 10 DGCDRN C[C@H](c1cccnc1)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001626155704 1103686657 /nfs/dbraw/zinc/68/66/57/1103686657.db2.gz WYNCDVXDWGIXAN-LLVKDONJSA-N 0 0 311.345 3.077 20 10 DGCDRN CCCNC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001244832576 1103708901 /nfs/dbraw/zinc/70/89/01/1103708901.db2.gz RSOQEIBDJQRYLW-UHFFFAOYSA-N 0 0 324.405 3.158 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCC[C@@H](F)C2)c1 ZINC001328144028 1103859102 /nfs/dbraw/zinc/85/91/02/1103859102.db2.gz YOWXWVHFWQWICV-TUAOUCFPSA-N 0 0 310.369 3.042 20 10 DGCDRN CC(C)Cn1ccc(-c2cncn2Cc2ccccc2)cc1=O ZINC001245199721 1103904652 /nfs/dbraw/zinc/90/46/52/1103904652.db2.gz DHHXIJMGYGTDFA-UHFFFAOYSA-N 0 0 307.397 3.416 20 10 DGCDRN CC(C)CNC(=S)NCc1ccc(N2CCCCC2)cc1 ZINC001245259900 1103945791 /nfs/dbraw/zinc/94/57/91/1103945791.db2.gz RBWNQCOBTFQFSB-UHFFFAOYSA-N 0 0 305.491 3.297 20 10 DGCDRN C[C@@]1(c2ccccc2)C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001137066878 1103949685 /nfs/dbraw/zinc/94/96/85/1103949685.db2.gz GQJRRUQRIFCIFI-QAPCUYQASA-N 0 0 322.368 3.309 20 10 DGCDRN Cc1cc2c(cccc2-c2cncc(N3CCOCC3)c2)n1C ZINC001245272958 1103955273 /nfs/dbraw/zinc/95/52/73/1103955273.db2.gz PBQJBAKSZXQAHK-UHFFFAOYSA-N 0 0 307.397 3.385 20 10 DGCDRN C[C@@H](CC(=O)Nc1c2nonc2ccc1Cl)[C@H]1CCCO1 ZINC001328696913 1104024481 /nfs/dbraw/zinc/02/44/81/1104024481.db2.gz HSLWVMADLAFPSN-GZMMTYOYSA-N 0 0 309.753 3.020 20 10 DGCDRN Oc1cccc(Br)c1CNc1cc2n(n1)CCCC2 ZINC001328703015 1104028239 /nfs/dbraw/zinc/02/82/39/1104028239.db2.gz MAEXUQOUNKLMRE-UHFFFAOYSA-N 0 0 322.206 3.300 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2cnc3c(cnn3C)c2)cn1 ZINC001245472424 1104079385 /nfs/dbraw/zinc/07/93/85/1104079385.db2.gz LBZMZZPFYHYDFG-UHFFFAOYSA-N 0 0 303.369 3.438 20 10 DGCDRN CC(C)n1ncc2c1[C@@H](NC(=O)C1=CC(=O)CS1)CCC2 ZINC001329211742 1104189463 /nfs/dbraw/zinc/18/94/63/1104189463.db2.gz YVVCUWAVFFBZAK-LBPRGKRZSA-N 0 0 305.403 3.039 20 10 DGCDRN CCOCc1cc(C[NH2+][C@H](CC=C(C)C)C(=O)[O-])ccc1OC ZINC001329310827 1104218294 /nfs/dbraw/zinc/21/82/94/1104218294.db2.gz PXQIUCLAZROIBM-MRXNPFEDSA-N 0 0 321.417 3.131 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNCc1nnc(C(C)(C)C)[nH]1 ZINC001202769206 1104309949 /nfs/dbraw/zinc/30/99/49/1104309949.db2.gz RVCMDSYQJURFBA-UHFFFAOYSA-N 0 0 311.433 3.192 20 10 DGCDRN CCCCN1CC[C@@]2(CCCN2c2ccc(OCC)cc2)C1=O ZINC001274793764 1104499172 /nfs/dbraw/zinc/49/91/72/1104499172.db2.gz JSTHMLQIXWTYBT-IBGZPJMESA-N 0 0 316.445 3.457 20 10 DGCDRN CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2c1ccc(OC)cc1C ZINC001274874828 1104527405 /nfs/dbraw/zinc/52/74/05/1104527405.db2.gz NEZSIOCQUUBHNJ-BMGDILEWSA-N 0 0 316.445 3.372 20 10 DGCDRN CC[C@@H](C)N1CC[C@]2(CCCN2c2ccc(OC)cc2C)C1=O ZINC001274875445 1104527671 /nfs/dbraw/zinc/52/76/71/1104527671.db2.gz WEICTWQUGMITSU-DNVCBOLYSA-N 0 0 316.445 3.373 20 10 DGCDRN CC(C)(C)c1nc(C(=O)Nc2c3nonc3ccc2Cl)co1 ZINC001330439769 1104551826 /nfs/dbraw/zinc/55/18/26/1104551826.db2.gz CEHGNPWXZSZBFK-UHFFFAOYSA-N 0 0 320.736 3.414 20 10 DGCDRN Cc1cc(C(=O)N2Cc3cccc(O)c3C2)c(C)n1CC1CC1 ZINC001330661166 1104609974 /nfs/dbraw/zinc/60/99/74/1104609974.db2.gz AQPXPGRTUCHLLQ-UHFFFAOYSA-N 0 0 310.397 3.377 20 10 DGCDRN CS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001330852341 1104662400 /nfs/dbraw/zinc/66/24/00/1104662400.db2.gz DBKKBCYDRDWHSC-CHWSQXEVSA-N 0 0 320.418 3.205 20 10 DGCDRN Fc1cccc(F)c1NC(=S)NCc1ncccc1Cl ZINC001247104208 1104802267 /nfs/dbraw/zinc/80/22/67/1104802267.db2.gz BVWPDQTUYXYASV-UHFFFAOYSA-N 0 0 313.760 3.500 20 10 DGCDRN Oc1ccc(Cc2nc(-c3cc(F)cc(F)c3F)no2)cc1O ZINC001247959215 1105021562 /nfs/dbraw/zinc/02/15/62/1105021562.db2.gz MEZKUQRMGNYRKR-UHFFFAOYSA-N 0 0 322.242 3.156 20 10 DGCDRN Nc1ccc(Cc2nc(-c3cnc4c(c3)CCCC4)no2)cc1 ZINC001248183140 1105062655 /nfs/dbraw/zinc/06/26/55/1105062655.db2.gz DVMPHMYBJZUMAG-UHFFFAOYSA-N 0 0 306.369 3.183 20 10 DGCDRN Nc1ccc(Cc2nc(-c3cc(C(F)(F)F)ccn3)no2)cc1 ZINC001248183433 1105062892 /nfs/dbraw/zinc/06/28/92/1105062892.db2.gz HGWSGALLMRFFFH-UHFFFAOYSA-N 0 0 320.274 3.323 20 10 DGCDRN CCc1cc(Nc2cccc(O)c2O)cc(OC)c1C(=O)OC ZINC001248626811 1105139243 /nfs/dbraw/zinc/13/92/43/1105139243.db2.gz BOXQDXLTBDTHFN-UHFFFAOYSA-N 0 0 317.341 3.199 20 10 DGCDRN CC(C)(C)c1cc(O)c(CN2CC[C@](F)(CO)C2)cc1Cl ZINC001248881222 1105185783 /nfs/dbraw/zinc/18/57/83/1105185783.db2.gz UCKRIMCYAKMMSB-MRXNPFEDSA-N 0 0 315.816 3.249 20 10 DGCDRN CC(=O)N[C@@H]1CC[N@H+](Cc2cc(Cl)c(C(C)(C)C)cc2O)C1 ZINC001248885080 1105186825 /nfs/dbraw/zinc/18/68/25/1105186825.db2.gz JQXDTZAQCZDTMY-CYBMUJFWSA-N 0 0 324.852 3.054 20 10 DGCDRN Cc1ccc(-c2noc(CCc3ccc(O)c(O)c3)n2)c(F)c1 ZINC001248983833 1105209211 /nfs/dbraw/zinc/20/92/11/1105209211.db2.gz HTMFJKHQGAKNDV-UHFFFAOYSA-N 0 0 314.316 3.381 20 10 DGCDRN CC1(C)C=Cc2c(O)c(CN3CCC(=O)C(C)(C)C3)ccc2O1 ZINC001249252612 1105257770 /nfs/dbraw/zinc/25/77/70/1105257770.db2.gz NHSWGDHUPWIFMJ-UHFFFAOYSA-N 0 0 315.413 3.377 20 10 DGCDRN COc1ccc(C)cc1NC(=S)NCc1ncc(F)cc1F ZINC001249677708 1105352477 /nfs/dbraw/zinc/35/24/77/1105352477.db2.gz KDQJONWSOVQFCC-UHFFFAOYSA-N 0 0 323.368 3.163 20 10 DGCDRN Nc1ncc(Nc2ccccc2C(=O)c2ccncc2)cc1F ZINC001249770890 1105377494 /nfs/dbraw/zinc/37/74/94/1105377494.db2.gz CCBSUSKGKPSNFT-UHFFFAOYSA-N 0 0 308.316 3.173 20 10 DGCDRN CS(=O)(=O)N(c1ccc(N)cc1)c1cccc2ccoc21 ZINC001249915908 1105407078 /nfs/dbraw/zinc/40/70/78/1105407078.db2.gz GUMRNZXFKSDZQV-UHFFFAOYSA-N 0 0 302.355 3.113 20 10 DGCDRN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)Cc1ccccc1O ZINC001137345812 1105493037 /nfs/dbraw/zinc/49/30/37/1105493037.db2.gz YWZXIYLYPSDFSR-UHFFFAOYSA-N 0 0 314.341 3.189 20 10 DGCDRN COCCCn1c(-c2ccc(O)c(O)c2)nc2cccc(F)c21 ZINC001250464691 1105518109 /nfs/dbraw/zinc/51/81/09/1105518109.db2.gz ISJZKUGDXUNSCS-UHFFFAOYSA-N 0 0 316.332 3.290 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cccc(Cl)c2N)c1 ZINC001137473417 1105528173 /nfs/dbraw/zinc/52/81/73/1105528173.db2.gz IVQZOOMETQEORY-VIFPVBQESA-N 0 0 320.776 3.127 20 10 DGCDRN COc1ccc2[nH]c(-c3ccc(N4CCC(O)CC4)cc3)nc2c1 ZINC001250858067 1105595291 /nfs/dbraw/zinc/59/52/91/1105595291.db2.gz OXHTZNJRYKZFTA-UHFFFAOYSA-N 0 0 323.396 3.200 20 10 DGCDRN CCCn1c2cc(OC)ccc2nc1-c1cc(O)c(O)c(O)c1 ZINC001251248315 1105644069 /nfs/dbraw/zinc/64/40/69/1105644069.db2.gz KOTQPRHOWWVBOJ-UHFFFAOYSA-N 0 0 314.341 3.239 20 10 DGCDRN Cc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccccc2O)c(C)c1 ZINC001251508374 1105664954 /nfs/dbraw/zinc/66/49/54/1105664954.db2.gz DIDRHRHLLIWVNK-CQSZACIVSA-N 0 0 319.426 3.357 20 10 DGCDRN CCOC[C@@H](O)CNc1ccc(C)cc1C(=O)c1ccccc1 ZINC001252040491 1105729942 /nfs/dbraw/zinc/72/99/42/1105729942.db2.gz KZCCFADYRIZIKG-INIZCTEOSA-N 0 0 313.397 3.035 20 10 DGCDRN Oc1ccc(Cc2nnc(-c3ccc(Cl)cc3)o2)cc1O ZINC001252734596 1105822849 /nfs/dbraw/zinc/82/28/49/1105822849.db2.gz WINVRYGQNPIRBS-UHFFFAOYSA-N 0 0 302.717 3.392 20 10 DGCDRN O=S(=O)(/C=C/c1ccccc1)Nc1cc(F)c(O)cc1F ZINC001253042364 1105881200 /nfs/dbraw/zinc/88/12/00/1105881200.db2.gz CGZRKDNEJJDSGQ-VOTSOKGWSA-N 0 0 311.309 3.083 20 10 DGCDRN CCOc1ccccc1NC[C@H](O)CCOCc1ccccc1 ZINC001253281767 1105918576 /nfs/dbraw/zinc/91/85/76/1105918576.db2.gz RSCIJUHUQIMGTB-QGZVFWFLSA-N 0 0 315.413 3.465 20 10 DGCDRN C/C(=C/C(=O)N(C)c1nsc2ccccc21)c1cnccn1 ZINC001278800035 1106115165 /nfs/dbraw/zinc/11/51/65/1106115165.db2.gz BLKQVEKNGHUESR-LUAWRHEFSA-N 0 0 310.382 3.153 20 10 DGCDRN COc1cc(-c2nnc([C@@H]3C[C@H]3c3ccccc3)o2)cc(O)c1O ZINC001254699639 1106134471 /nfs/dbraw/zinc/13/44/71/1106134471.db2.gz YXEOWRRBQJLEIW-QWHCGFSZSA-N 0 0 324.336 3.428 20 10 DGCDRN Cc1ccc(C)c(S(=O)(=O)Nc2c(F)cc(O)cc2F)c1 ZINC001254794575 1106142669 /nfs/dbraw/zinc/14/26/69/1106142669.db2.gz XBFSGAKSAQQHCX-UHFFFAOYSA-N 0 0 313.325 3.088 20 10 DGCDRN COc1ccc(N2CCN([C@@H](C)CC(F)(F)F)CC2)c(C)c1 ZINC001255665467 1106290409 /nfs/dbraw/zinc/29/04/09/1106290409.db2.gz YDBWVNKLXOALBP-ZDUSSCGKSA-N 0 0 316.367 3.467 20 10 DGCDRN COc1cc(-c2nnc(-c3ccc(C)c(C)c3)o2)cc(O)c1O ZINC001256604482 1106453020 /nfs/dbraw/zinc/45/30/20/1106453020.db2.gz XZTFRTWSAKIXAP-UHFFFAOYSA-N 0 0 312.325 3.440 20 10 DGCDRN Cc1nnc(Cc2nnc(-c3ccc(-n4cccc4)cc3)o2)s1 ZINC001256929869 1106513859 /nfs/dbraw/zinc/51/38/59/1106513859.db2.gz BSMHRCSRDQMXFK-UHFFFAOYSA-N 0 0 323.381 3.278 20 10 DGCDRN C[C@H](c1nnc(-c2ccc(-n3cccc3)cc2)o1)n1ccnc1 ZINC001256957184 1106515413 /nfs/dbraw/zinc/51/54/13/1106515413.db2.gz KWTRRTKDVOOHRY-CYBMUJFWSA-N 0 0 305.341 3.333 20 10 DGCDRN Cc1cncc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)n1 ZINC001256975167 1106519116 /nfs/dbraw/zinc/51/91/16/1106519116.db2.gz SKGHSLVGLQGMIQ-UHFFFAOYSA-N 0 0 303.325 3.293 20 10 DGCDRN FCCn1nccc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256978207 1106519682 /nfs/dbraw/zinc/51/96/82/1106519682.db2.gz CGNGGPMUSSBJHZ-UHFFFAOYSA-N 0 0 323.331 3.360 20 10 DGCDRN CCCCCC[C@H](C)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OC ZINC001257359982 1106573580 /nfs/dbraw/zinc/57/35/80/1106573580.db2.gz GONPSEWJCBRBFV-ZFWWWQNUSA-N 0 0 323.433 3.130 20 10 DGCDRN Cc1ccc(C(=O)NCc2cccc(C(F)F)c2)c(O)c1O ZINC001320509483 1107035223 /nfs/dbraw/zinc/03/52/23/1107035223.db2.gz KORREPJYLCRJML-UHFFFAOYSA-N 0 0 307.296 3.274 20 10 DGCDRN C[C@H](Cc1ccccc1Cl)C(=O)NCc1ccc(O)cc1O ZINC001299573958 1107123356 /nfs/dbraw/zinc/12/33/56/1107123356.db2.gz MECISPKRFLYZDP-LLVKDONJSA-N 0 0 319.788 3.246 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccn(C3CCCCC3)n2)c(O)c1O ZINC001320825171 1107151543 /nfs/dbraw/zinc/15/15/43/1107151543.db2.gz LVKZPFYPUHSLBR-UHFFFAOYSA-N 0 0 315.373 3.360 20 10 DGCDRN Cc1cc(C)cc(S(=O)(=O)Nc2cc(F)c(O)cc2F)c1 ZINC001259524404 1107159913 /nfs/dbraw/zinc/15/99/13/1107159913.db2.gz QERZQWLPLCNFEW-UHFFFAOYSA-N 0 0 313.325 3.088 20 10 DGCDRN CCN(Cc1ccccc1O)S(=O)(=O)CC1CCCCC1 ZINC001259618113 1107173281 /nfs/dbraw/zinc/17/32/81/1107173281.db2.gz YFKQRDWKSSXEGH-UHFFFAOYSA-N 0 0 311.447 3.124 20 10 DGCDRN O=S(=O)(CCC(F)(F)F)Nc1ccc(O)c2ccccc12 ZINC001259871793 1107216702 /nfs/dbraw/zinc/21/67/02/1107216702.db2.gz VOHUWOMNSJBMDJ-UHFFFAOYSA-N 0 0 319.304 3.240 20 10 DGCDRN Cc1cccc(S(=O)(=O)Nc2cc(C)c(O)cc2C)c1C ZINC001260998654 1107341731 /nfs/dbraw/zinc/34/17/31/1107341731.db2.gz OZJYVVUQMZUVJW-UHFFFAOYSA-N 0 0 305.399 3.427 20 10 DGCDRN O=C(CCCc1ccccn1)Nc1c2nonc2ccc1Cl ZINC001261140040 1107351257 /nfs/dbraw/zinc/35/12/57/1107351257.db2.gz GIKFLXAGKOLQFX-UHFFFAOYSA-N 0 0 316.748 3.233 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N[C@@H]3CCC[C@H](F)C3)ccc21 ZINC001261452202 1107437921 /nfs/dbraw/zinc/43/79/21/1107437921.db2.gz WLYYYPOSFRGUOE-JKSUJKDBSA-N 0 0 319.424 3.149 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2CCC[C@H](F)C2)c(C)n1-c1ccccn1 ZINC001261499188 1107450228 /nfs/dbraw/zinc/45/02/28/1107450228.db2.gz DPJJFPWBAZSBPJ-LSDHHAIUSA-N 0 0 315.392 3.500 20 10 DGCDRN C[C@H](Sc1ncc(Cl)s1)C(=O)NCc1ccco1 ZINC001261599441 1107484373 /nfs/dbraw/zinc/48/43/73/1107484373.db2.gz XTHQSRSPCNLHHS-ZETCQYMHSA-N 0 0 302.808 3.187 20 10 DGCDRN C[C@H](NC(=O)NCc1ccc(N)cc1)C1CCC(F)(F)CC1 ZINC001262587870 1107731602 /nfs/dbraw/zinc/73/16/02/1107731602.db2.gz OOQOJEJHVALZCT-NSHDSACASA-N 0 0 311.376 3.282 20 10 DGCDRN Nc1ccc(CNC(=O)Nc2ccc(OCC3CC3)cc2)cc1 ZINC001262603574 1107735369 /nfs/dbraw/zinc/73/53/69/1107735369.db2.gz NGEGTQKCSITVHE-UHFFFAOYSA-N 0 0 311.385 3.379 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C)nc(C)c1 ZINC001262604752 1107736408 /nfs/dbraw/zinc/73/64/08/1107736408.db2.gz CBNIWXVENROMRE-UHFFFAOYSA-N 0 0 311.429 3.427 20 10 DGCDRN Cc1cc(C(=O)NCc2ccccc2O)c2ccc(F)cc2n1 ZINC001318119486 1107846682 /nfs/dbraw/zinc/84/66/82/1107846682.db2.gz IJXBWTNRHLFIIS-UHFFFAOYSA-N 0 0 310.328 3.318 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)CN1C(=O)CC1(C)C ZINC001323144565 1107850719 /nfs/dbraw/zinc/85/07/19/1107850719.db2.gz AQTBHRQTLFLTRH-UHFFFAOYSA-N 0 0 315.461 3.077 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)OC(C)C)cc1 ZINC001318230542 1107906998 /nfs/dbraw/zinc/90/69/98/1107906998.db2.gz AWDNGMHKGXWFFY-UHFFFAOYSA-N 0 0 315.369 3.203 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]1CNc2ccccc21 ZINC001263101676 1107944719 /nfs/dbraw/zinc/94/47/19/1107944719.db2.gz YYIGNIUHLBXDDV-MRXNPFEDSA-N 0 0 323.440 3.277 20 10 DGCDRN CO[C@H](C(=O)Nc1c2nonc2ccc1Cl)c1ccccc1 ZINC001323483493 1107987790 /nfs/dbraw/zinc/98/77/90/1107987790.db2.gz PEXBTDAOQUGDMS-AWEZNQCLSA-N 0 0 317.732 3.202 20 10 DGCDRN CC[C@H]1C[C@H](C(=O)Nc2c3nonc3ccc2Cl)CCO1 ZINC001324140005 1108187660 /nfs/dbraw/zinc/18/76/60/1108187660.db2.gz DRKCFNHRKPRTOW-BDAKNGLRSA-N 0 0 309.753 3.020 20 10 DGCDRN COc1cccc(CNC(=O)NC[C@H]2C[C@H]2C2CCCC2)c1O ZINC001263780177 1108199581 /nfs/dbraw/zinc/19/95/81/1108199581.db2.gz YDBMNWMQAWWUKK-CABCVRRESA-N 0 0 318.417 3.026 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1Cc2cccnc2C1 ZINC001263819934 1108234890 /nfs/dbraw/zinc/23/48/90/1108234890.db2.gz HHEHQZAYTZWYIG-QGZVFWFLSA-N 0 0 324.424 3.331 20 10 DGCDRN Cc1csc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC001318959886 1108254928 /nfs/dbraw/zinc/25/49/28/1108254928.db2.gz GUPPRCDERGCNHX-UHFFFAOYSA-N 0 0 315.442 3.322 20 10 DGCDRN O=C(NC/C=C/C1CC1)NCc1c(O)ccc2c1CCCC2 ZINC001324734993 1108446375 /nfs/dbraw/zinc/44/63/75/1108446375.db2.gz JIOUHOBEHOPEQX-ONEGZZNKSA-N 0 0 300.402 3.036 20 10 DGCDRN OCCCN(Cc1ccc(N2CCCC2)cc1)CC(F)(F)F ZINC001319814693 1108647653 /nfs/dbraw/zinc/64/76/53/1108647653.db2.gz IHJJIUUGMSVLHY-UHFFFAOYSA-N 0 0 316.367 3.034 20 10 DGCDRN COc1ccc(N(C)Cc2ccc([S@](C)=O)cc2)cc1F ZINC001319939467 1108705106 /nfs/dbraw/zinc/70/51/06/1108705106.db2.gz IBFXOYNUUQCJCY-NRFANRHFSA-N 0 0 307.390 3.208 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@H]1C[C@H]1C ZINC001290932207 1110263244 /nfs/dbraw/zinc/26/32/44/1110263244.db2.gz ZNNCOCMPJQFOFO-IUODEOHRSA-N 0 0 310.397 3.292 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Cc2c[nH]c3cc(F)ccc23)c1 ZINC001301047261 1111079906 /nfs/dbraw/zinc/07/99/06/1111079906.db2.gz UPSWPUPATLMAFF-UHFFFAOYSA-N 0 0 312.344 3.180 20 10 DGCDRN Cc1c2ccccc2c(=O)oc1C(=O)N[C@@H](C)c1ccccc1O ZINC001302538010 1111117154 /nfs/dbraw/zinc/11/71/54/1111117154.db2.gz CWQGNAAGWXOXIK-LBPRGKRZSA-N 0 0 323.348 3.298 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1occc1-c1ccccc1 ZINC001303193331 1111136852 /nfs/dbraw/zinc/13/68/52/1111136852.db2.gz KPZCEMNDYLBWON-UHFFFAOYSA-N 0 0 309.321 3.288 20 10 DGCDRN CCc1cccc2c(CC(=O)NCc3cc(O)ccc3O)c[nH]c21 ZINC001303225672 1111137318 /nfs/dbraw/zinc/13/73/18/1111137318.db2.gz MOIDAJJEDREQGI-UHFFFAOYSA-N 0 0 324.380 3.000 20 10 DGCDRN O=C(NCc1c(O)cccc1O)C1CC(c2ccc(F)cc2)C1 ZINC001304053068 1111163917 /nfs/dbraw/zinc/16/39/17/1111163917.db2.gz BJMLPIFWUXEEOX-UHFFFAOYSA-N 0 0 315.344 3.047 20 10 DGCDRN C[C@@H]1C[C@H]1Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O ZINC001304952949 1111189575 /nfs/dbraw/zinc/18/95/75/1111189575.db2.gz XCNHOVISQOKBLL-DOMZBBRYSA-N 0 0 312.417 3.154 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CCCc3c(C)[nH]nc32)c1O ZINC001308144195 1111384132 /nfs/dbraw/zinc/38/41/32/1111384132.db2.gz ZIYUYZKJTMRUJX-UHFFFAOYSA-N 0 0 319.792 3.233 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CCOC[C@]2(C)C2CC2)c1O ZINC001308143691 1111384154 /nfs/dbraw/zinc/38/41/54/1111384154.db2.gz VNZMLQWHVLCKFM-QGZVFWFLSA-N 0 0 323.820 3.249 20 10 DGCDRN CNC(=O)c1cccc(NC/C=C/c2ccc(N(C)C)cc2)c1 ZINC001308308743 1111414248 /nfs/dbraw/zinc/41/42/48/1111414248.db2.gz CEPJJADXQDEUMP-AATRIKPKSA-N 0 0 309.413 3.238 20 10 DGCDRN Cc1ccc(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cc1C ZINC001308459060 1111430843 /nfs/dbraw/zinc/43/08/43/1111430843.db2.gz AREYZARCAITPSZ-UHFFFAOYSA-N 0 0 300.358 3.250 20 10 DGCDRN COC(=O)/C=C/c1ccc(CN(C)c2ccc(OC)c(F)c2)o1 ZINC001308677624 1111459602 /nfs/dbraw/zinc/45/96/02/1111459602.db2.gz ORHIDOJYBUFSAE-VQHVLOKHSA-N 0 0 319.332 3.250 20 10 DGCDRN COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001308741710 1111468138 /nfs/dbraw/zinc/46/81/38/1111468138.db2.gz XYACAAOCMBEMHI-OAHLLOKOSA-N 0 0 321.367 3.360 20 10 DGCDRN [O-]c1c(F)cccc1C[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC001308773109 1111473138 /nfs/dbraw/zinc/47/31/38/1111473138.db2.gz FWDNXYDSWRCKGR-UHFFFAOYSA-N 0 0 300.255 3.235 20 10 DGCDRN COc1cc(CN2CC(OC(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC001308923809 1111494477 /nfs/dbraw/zinc/49/44/77/1111494477.db2.gz AXGULXIMCUJXQO-UHFFFAOYSA-N 0 0 307.434 3.308 20 10 DGCDRN C[C@H]1CC[C@](CO)([NH2+]Cc2cccc(F)c2[O-])c2ccccc21 ZINC001308984021 1111505268 /nfs/dbraw/zinc/50/52/68/1111505268.db2.gz DOYHUCWORPQPMB-ORAYPTAESA-N 0 0 315.388 3.406 20 10 DGCDRN CN1CCCc2cc(CNC(=O)NC(C)(C)/C=C/Cl)ccc21 ZINC001311726706 1111616246 /nfs/dbraw/zinc/61/62/46/1111616246.db2.gz HKFNSLDFOOVAGW-CMDGGOBGSA-N 0 0 321.852 3.399 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCCCCC2CC2)cc1F ZINC001311745540 1111617079 /nfs/dbraw/zinc/61/70/79/1111617079.db2.gz XUSZNQWRNLISQG-UHFFFAOYSA-N 0 0 307.413 3.271 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCc2ccc(F)c(Cl)c2)c1 ZINC001311797638 1111620321 /nfs/dbraw/zinc/62/03/21/1111620321.db2.gz QUYZFBUVKYNRAD-UHFFFAOYSA-N 0 0 322.767 3.493 20 10 DGCDRN O=C(NCc1cccc(C(F)F)c1)NCc1c(O)cccc1F ZINC001312502735 1111657362 /nfs/dbraw/zinc/65/73/62/1111657362.db2.gz NKXMGAWVZZJBCR-UHFFFAOYSA-N 0 0 324.302 3.468 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)N[C@@H]1C[C@H]1c1ccccc1 ZINC001312615301 1111662644 /nfs/dbraw/zinc/66/26/44/1111662644.db2.gz HRELDZYNYVIQPH-DZGCQCFKSA-N 0 0 316.788 3.401 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H](C)[C@@H]2CCC[C@@H](C)C2)c(O)c1 ZINC001312874546 1111679090 /nfs/dbraw/zinc/67/90/90/1111679090.db2.gz UABUTYXTCCNAHD-HZSPNIEDSA-N 0 0 320.433 3.415 20 10 DGCDRN CC[C@@H](NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)C1CC1 ZINC001312884993 1111679746 /nfs/dbraw/zinc/67/97/46/1111679746.db2.gz LGABQJUVNKWVAK-RDTXWAMCSA-N 0 0 317.477 3.480 20 10 DGCDRN O=C(N[C@@H](CF)c1ccc(F)cc1)N1Cc2cccc(O)c2C1 ZINC001313182752 1111699661 /nfs/dbraw/zinc/69/96/61/1111699661.db2.gz DHINISSSMDNATJ-HNNXBMFYSA-N 0 0 318.323 3.267 20 10 DGCDRN COc1ccccc1C(C)(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000103171928 432004861 /nfs/dbraw/zinc/00/48/61/432004861.db2.gz XWXUGMDLDWCUIU-UHFFFAOYSA-N 0 0 316.357 3.334 20 10 DGCDRN COCCn1c(C)cc(C(=O)CSc2nccs2)c1C ZINC000064660418 432009084 /nfs/dbraw/zinc/00/90/84/432009084.db2.gz KICZGPVPCHACFB-UHFFFAOYSA-N 0 0 310.444 3.183 20 10 DGCDRN COc1cc(NCc2cc(C)ccc2O)cc(OC)c1OC ZINC000103854811 432013215 /nfs/dbraw/zinc/01/32/15/432013215.db2.gz BSURATWRKFYENO-UHFFFAOYSA-N 0 0 303.358 3.339 20 10 DGCDRN CC(C)C[C@@H]1NC(=O)N(c2cc(Cl)c(N)c(Cl)c2)C1=O ZINC000278142200 535292060 /nfs/dbraw/zinc/29/20/60/535292060.db2.gz NPNBOZQLQMQOLK-JTQLQIEISA-N 0 0 316.188 3.047 20 10 DGCDRN C[C@H]([NH2+]CC(C)(C)c1ccccn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000296225421 299278719 /nfs/dbraw/zinc/27/87/19/299278719.db2.gz ABMJDIFZJIRVMB-LBPRGKRZSA-N 0 0 315.373 3.324 20 10 DGCDRN C[C@H]([NH2+]CCCC(=O)N(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185194512 299288527 /nfs/dbraw/zinc/28/85/27/299288527.db2.gz MDGWJCMMZZYTDQ-VIFPVBQESA-N 0 0 319.232 3.218 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)c2cncc(F)c2)C2CC2)cc1 ZINC000268464421 432092088 /nfs/dbraw/zinc/09/20/88/432092088.db2.gz VBKPBKNZLMVJNS-UHFFFAOYSA-N 0 0 313.376 3.092 20 10 DGCDRN O=[N+]([O-])c1ccccc1/C=C/CN1C[C@H](O)Cc2ccccc21 ZINC000435041335 238269589 /nfs/dbraw/zinc/26/95/89/238269589.db2.gz PJXWIJBMOXABRC-CDVVCGDMSA-N 0 0 310.353 3.032 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCCOC1 ZINC000171026331 432096508 /nfs/dbraw/zinc/09/65/08/432096508.db2.gz WYWBTODGEIGJPQ-QGZVFWFLSA-N 0 0 316.445 3.062 20 10 DGCDRN CC(=O)c1cc(F)cc(CN(C)[C@H](C)c2ccccn2)c1O ZINC000091701814 193093452 /nfs/dbraw/zinc/09/34/52/193093452.db2.gz WLALYMNPRNDYIK-LLVKDONJSA-N 0 0 302.349 3.322 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1cc(C)ccn1 ZINC000454875597 242053633 /nfs/dbraw/zinc/05/36/33/242053633.db2.gz NWGJLEAEYAGSMK-UHFFFAOYSA-N 0 0 322.412 3.190 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC(C1CC1)C1CC1 ZINC000471587477 244219749 /nfs/dbraw/zinc/21/97/49/244219749.db2.gz IGSCLXWCLXIMDI-UHFFFAOYSA-N 0 0 311.429 3.475 20 10 DGCDRN CCCCOCCNC(=O)NCc1c(C)c2ccccc2n1C ZINC000471765065 244243444 /nfs/dbraw/zinc/24/34/44/244243444.db2.gz AJDFTPFLDVSJKD-UHFFFAOYSA-N 0 0 317.433 3.103 20 10 DGCDRN CN(Cc1nccs1)Cc1cc(Br)ccc1O ZINC000093582018 193269354 /nfs/dbraw/zinc/26/93/54/193269354.db2.gz PIHFRCXOSCIEJX-UHFFFAOYSA-N 0 0 313.220 3.243 20 10 DGCDRN C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000276863100 296159208 /nfs/dbraw/zinc/15/92/08/296159208.db2.gz CUSZUTFHNAUYTG-IAQYHMDHSA-N 0 0 307.340 3.445 20 10 DGCDRN CN(C(=O)/C=C\c1ccccc1-n1cccn1)c1cccc(F)n1 ZINC000492958924 245844400 /nfs/dbraw/zinc/84/44/00/245844400.db2.gz VPNRKWJUZZMZSP-KHPPLWFESA-N 0 0 322.343 3.083 20 10 DGCDRN CN(C(=O)/C=C/c1ccccc1-n1cccn1)c1cccc(F)n1 ZINC000492958926 245845345 /nfs/dbraw/zinc/84/53/45/245845345.db2.gz VPNRKWJUZZMZSP-ZHACJKMWSA-N 0 0 322.343 3.083 20 10 DGCDRN Cc1cc(C(=O)N(C)Cc2nccn2C)c(C)n1-c1ccccc1 ZINC000061511904 184172032 /nfs/dbraw/zinc/17/20/32/184172032.db2.gz QGGWWIHDOUZIKF-UHFFFAOYSA-N 0 0 322.412 3.100 20 10 DGCDRN C[C@H](OC1CCCCCC1)C(=O)N(C)Cc1ccccc1O ZINC000121462025 299551070 /nfs/dbraw/zinc/55/10/70/299551070.db2.gz WARZTFBLAYBFAG-AWEZNQCLSA-N 0 0 305.418 3.479 20 10 DGCDRN C[C@@H](Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccc(N(C)C)cc1 ZINC000271966299 129984747 /nfs/dbraw/zinc/98/47/47/129984747.db2.gz CZWZPYIRTKBGEN-CYBMUJFWSA-N 0 0 324.428 3.116 20 10 DGCDRN Cc1nc(C2(NCc3cc(F)ccc3O)CCCCC2)no1 ZINC000272248714 130012271 /nfs/dbraw/zinc/01/22/71/130012271.db2.gz BSQRUXVQEVANCU-UHFFFAOYSA-N 0 0 305.353 3.172 20 10 DGCDRN COc1ccc(O)c(C[NH2+][C@@H](C)[C@H](OC)c2ccccc2F)c1 ZINC000272378537 130024029 /nfs/dbraw/zinc/02/40/29/130024029.db2.gz DGEGLXYOKCUWKB-SGTLLEGYSA-N 0 0 319.376 3.406 20 10 DGCDRN CC[C@H]1C[C@@H](CC(=O)NCc2ccc(N(C)C)c(F)c2)CCO1 ZINC000272759035 130061730 /nfs/dbraw/zinc/06/17/30/130061730.db2.gz PEPGOUOCUKYJLA-ZFWWWQNUSA-N 0 0 322.424 3.103 20 10 DGCDRN CC(C)[C@@H]1C[C@H](CC(=O)N(C)Cc2ccccc2O)CCO1 ZINC000272899483 130072613 /nfs/dbraw/zinc/07/26/13/130072613.db2.gz XURUYSVINRXWQW-PBHICJAKSA-N 0 0 305.418 3.192 20 10 DGCDRN CC(C)[C@H]1C[C@@H](CC(=O)N(C)Cc2ccccc2O)CCO1 ZINC000272899493 130072805 /nfs/dbraw/zinc/07/28/05/130072805.db2.gz XURUYSVINRXWQW-WMLDXEAASA-N 0 0 305.418 3.192 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000273226116 130098995 /nfs/dbraw/zinc/09/89/95/130098995.db2.gz WEMVXVJUSYPRMX-HNNXBMFYSA-N 0 0 305.805 3.129 20 10 DGCDRN Cc1cc(C(=O)Nc2nnc(C)n2C)c(C)n1-c1ccccc1C ZINC000273259627 130101012 /nfs/dbraw/zinc/10/10/12/130101012.db2.gz ZCZIMQWSSRFNDW-UHFFFAOYSA-N 0 0 323.400 3.092 20 10 DGCDRN C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cccc(O)c1O ZINC000279255623 130741061 /nfs/dbraw/zinc/74/10/61/130741061.db2.gz IRDIDQALHSYHTN-HIFRSBDPSA-N 0 0 311.381 3.191 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1c(C)ccn1C ZINC000282565511 130929334 /nfs/dbraw/zinc/92/93/34/130929334.db2.gz UPXWNGDUVYIFGA-UHFFFAOYSA-N 0 0 300.402 3.482 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H](CC)COC ZINC000283626535 131009225 /nfs/dbraw/zinc/00/92/25/131009225.db2.gz HTGDWSKRYNKUMM-OAHLLOKOSA-N 0 0 308.422 3.129 20 10 DGCDRN CC[C@H](C)CCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000285147505 131142118 /nfs/dbraw/zinc/14/21/18/131142118.db2.gz RLKBWXHQNYPOKJ-AWEZNQCLSA-N 0 0 322.424 3.105 20 10 DGCDRN CC(=O)c1cc(F)cc(CN[C@H](C)c2c(F)cncc2F)c1O ZINC000285899231 131209229 /nfs/dbraw/zinc/20/92/29/131209229.db2.gz ZRCNSKVGIFCLGU-MRVPVSSYSA-N 0 0 324.302 3.258 20 10 DGCDRN CC[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccc(F)cc1[O-] ZINC000286036778 131217427 /nfs/dbraw/zinc/21/74/27/131217427.db2.gz KKGMESWMYUJTTE-FUHWJXTLSA-N 0 0 303.377 3.480 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2c2cc[nH]n2)c1O ZINC000286123938 131220297 /nfs/dbraw/zinc/22/02/97/131220297.db2.gz MGXBVVUDILYEPX-HNNXBMFYSA-N 0 0 319.792 3.308 20 10 DGCDRN CC[C@@H]([NH2+]CC1(SC)CCOCC1)c1ccc(F)cc1[O-] ZINC000286306645 131230079 /nfs/dbraw/zinc/23/00/79/131230079.db2.gz XHQQMAKATBICSB-CQSZACIVSA-N 0 0 313.438 3.484 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCCSC(C)C ZINC000287945862 131307157 /nfs/dbraw/zinc/30/71/57/131307157.db2.gz GJCNSNXAFNALPV-UHFFFAOYSA-N 0 0 310.463 3.455 20 10 DGCDRN CC(=O)C(=O)CSc1nnc(Nc2cccc(C)c2C)s1 ZINC000288290332 131319306 /nfs/dbraw/zinc/31/93/06/131319306.db2.gz BIOJFBUGIQSVHP-UHFFFAOYSA-N 0 0 321.427 3.149 20 10 DGCDRN CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1cccc(O)c1O ZINC000288739984 131337898 /nfs/dbraw/zinc/33/78/98/131337898.db2.gz ZVPUWONLULXUJZ-OAHLLOKOSA-N 0 0 315.369 3.330 20 10 DGCDRN C[C@H](OCc1ccc(F)cc1)C(=O)N(C)Cc1ccccc1O ZINC000294798309 131861421 /nfs/dbraw/zinc/86/14/21/131861421.db2.gz IDZUZSIDQBAIAC-ZDUSSCGKSA-N 0 0 317.360 3.095 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@@H](F)[C@@H](F)C1 ZINC000295813461 131922463 /nfs/dbraw/zinc/92/24/63/131922463.db2.gz XDOSCAYGBSAFPM-TXEJJXNPSA-N 0 0 310.369 3.288 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NCCC(C)(F)F)cc1 ZINC000296512031 131968244 /nfs/dbraw/zinc/96/82/44/131968244.db2.gz ZMEVMUVDBIOFJQ-UHFFFAOYSA-N 0 0 313.392 3.377 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)NOCC3CC3)cc2)CC1 ZINC000297471592 132017331 /nfs/dbraw/zinc/01/73/31/132017331.db2.gz RUTYBTWJIRZKDC-UHFFFAOYSA-N 0 0 317.433 3.064 20 10 DGCDRN COCc1cc(CN(Cc2ccc(N(C)C)cc2)C2CC2)no1 ZINC000297597005 132024771 /nfs/dbraw/zinc/02/47/71/132024771.db2.gz FOVVCTKQNROSQT-UHFFFAOYSA-N 0 0 315.417 3.052 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCCC(C)(F)F ZINC000297697239 132029551 /nfs/dbraw/zinc/02/95/51/132029551.db2.gz QWMOQFSBAQTROT-UHFFFAOYSA-N 0 0 300.349 3.359 20 10 DGCDRN CCCCO[C@H](C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000299256011 132095753 /nfs/dbraw/zinc/09/57/53/132095753.db2.gz GYBDHKAUXAVPHV-OAHLLOKOSA-N 0 0 304.434 3.108 20 10 DGCDRN Cc1ocnc1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000299460198 132106138 /nfs/dbraw/zinc/10/61/38/132106138.db2.gz XAYOINGIHOBOBG-UHFFFAOYSA-N 0 0 301.390 3.100 20 10 DGCDRN Cc1cc(C(=O)NCCn2ccnc2C)c(C)n1-c1ccccc1 ZINC000299495822 132108029 /nfs/dbraw/zinc/10/80/29/132108029.db2.gz QCRJMTBKKSIWER-UHFFFAOYSA-N 0 0 322.412 3.029 20 10 DGCDRN COc1ccc(NC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000023233612 400208947 /nfs/dbraw/zinc/20/89/47/400208947.db2.gz SVVBNMVVTBQPTN-UHFFFAOYSA-N 0 0 313.401 3.425 20 10 DGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CC1CCCC1 ZINC000068535618 400270942 /nfs/dbraw/zinc/27/09/42/400270942.db2.gz JOWJQAWHCQBNIU-UHFFFAOYSA-N 0 0 316.445 3.062 20 10 DGCDRN Cc1cc(C(=O)NC[C@@H]2CCOC2)c(C)n1-c1cccc(C)c1 ZINC000042726944 400440403 /nfs/dbraw/zinc/44/04/03/400440403.db2.gz ZPIKHHZRAGLPCC-INIZCTEOSA-N 0 0 312.413 3.169 20 10 DGCDRN CCc1cc(N2CC=C(c3c[nH]c4ncccc34)CC2)ncn1 ZINC000603370824 400675476 /nfs/dbraw/zinc/67/54/76/400675476.db2.gz ZQCAVLLKHVKZQX-UHFFFAOYSA-N 0 0 305.385 3.209 20 10 DGCDRN COc1ccc(NC(=O)[C@H](C)Sc2nccs2)c(OC)c1 ZINC000052914343 400754817 /nfs/dbraw/zinc/75/48/17/400754817.db2.gz QWQCDYPSCQMJNF-VIFPVBQESA-N 0 0 324.427 3.280 20 10 DGCDRN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nccs2)c1C ZINC000052913973 400754981 /nfs/dbraw/zinc/75/49/81/400754981.db2.gz PGBIVBYBXHRRGX-SECBINFHSA-N 0 0 324.427 3.238 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cccc(NC(=O)C2CC2)c1 ZINC000053914711 400801506 /nfs/dbraw/zinc/80/15/06/400801506.db2.gz FOHCVJLVUKOAIG-UHFFFAOYSA-N 0 0 324.380 3.013 20 10 DGCDRN CCCCCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000053954698 400803254 /nfs/dbraw/zinc/80/32/54/400803254.db2.gz BQJKCMKBQMASPU-MRXNPFEDSA-N 0 0 320.433 3.273 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N(C)Cc2ccccc2)cc1F ZINC000057646803 401017164 /nfs/dbraw/zinc/01/71/64/401017164.db2.gz SKEFGOLSIGIQHT-UHFFFAOYSA-N 0 0 315.392 3.233 20 10 DGCDRN Clc1cccnc1NCc1ccc(N2CCOCC2)cc1 ZINC000088702882 401204511 /nfs/dbraw/zinc/20/45/11/401204511.db2.gz NIFMOCODGISEIE-UHFFFAOYSA-N 0 0 303.793 3.184 20 10 DGCDRN C[C@@H](CC(=O)N1CCOc2cc(N(C)C)ccc21)c1ccco1 ZINC000625916006 401251503 /nfs/dbraw/zinc/25/15/03/401251503.db2.gz GRYJMAYHJAZIIU-ZDUSSCGKSA-N 0 0 314.385 3.265 20 10 DGCDRN CC[C@@H]([NH2+]CC(=O)NC(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000287700167 286902181 /nfs/dbraw/zinc/90/21/81/286902181.db2.gz NOSBDRWKQSRQGJ-GFCCVEGCSA-N 0 0 319.232 3.264 20 10 DGCDRN CC[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1cccc(Cl)c1[O-] ZINC000287547470 286903193 /nfs/dbraw/zinc/90/31/93/286903193.db2.gz FKOBMFFPLPJFNM-CYBMUJFWSA-N 0 0 310.825 3.132 20 10 DGCDRN CC[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cccc(Cl)c1[O-] ZINC000287755858 286912956 /nfs/dbraw/zinc/91/29/56/286912956.db2.gz QOMACJDKSGVESW-PWSUYJOCSA-N 0 0 311.731 3.400 20 10 DGCDRN C[C@@H](CC(=O)NCCc1ccc(O)c(O)c1)C1CCCCC1 ZINC000269258720 432155677 /nfs/dbraw/zinc/15/56/77/432155677.db2.gz YVZXDWHKDAEPFG-ZDUSSCGKSA-N 0 0 305.418 3.363 20 10 DGCDRN CCN(C[C@H](O)COCc1cccs1)c1ccc(OC)cc1 ZINC000269653697 432192663 /nfs/dbraw/zinc/19/26/63/432192663.db2.gz VSXYDLRIXUDIGD-HNNXBMFYSA-N 0 0 321.442 3.161 20 10 DGCDRN COc1cccc(CNC(=O)NCC(C)(C)C2CCC2)c1O ZINC000297519096 227250715 /nfs/dbraw/zinc/25/07/15/227250715.db2.gz NNIOTSGPLYKUIA-UHFFFAOYSA-N 0 0 306.406 3.026 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000180484509 228356636 /nfs/dbraw/zinc/35/66/36/228356636.db2.gz DRZKRONRWYLAGO-AWEZNQCLSA-N 0 0 304.777 3.094 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCc1ccco1 ZINC000349170027 229210746 /nfs/dbraw/zinc/21/07/46/229210746.db2.gz XFNGDMLONHZFCN-UHFFFAOYSA-N 0 0 311.385 3.122 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cn2ccccc2n1 ZINC000348665940 229204289 /nfs/dbraw/zinc/20/42/89/229204289.db2.gz KLYQNEMIZIHBNO-UHFFFAOYSA-N 0 0 318.380 3.064 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)C[C@H]1CCCCO1 ZINC000348633977 229204652 /nfs/dbraw/zinc/20/46/52/229204652.db2.gz HCEPAWIENKNGEB-CQSZACIVSA-N 0 0 300.402 3.062 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)Cc1ccncc1 ZINC000350086719 229218446 /nfs/dbraw/zinc/21/84/46/229218446.db2.gz UVAZWRILEXSWLR-UHFFFAOYSA-N 0 0 322.412 3.223 20 10 DGCDRN COCCC(C)(C)NC(=O)NCc1c(C)c2ccccc2n1C ZINC000350060059 229219102 /nfs/dbraw/zinc/21/91/02/229219102.db2.gz NPYDWTSRSDUATD-UHFFFAOYSA-N 0 0 317.433 3.101 20 10 DGCDRN COc1cccc(CN2CCO[C@H](c3ccc(F)cc3)C2)c1O ZINC000179428837 274145763 /nfs/dbraw/zinc/14/57/63/274145763.db2.gz IAVNIUDWGNZZDT-KRWDZBQOSA-N 0 0 317.360 3.113 20 10 DGCDRN CC[C@H]([NH2+]C[C@H](COC)OC)c1cc(Cl)cc(Cl)c1[O-] ZINC000287885181 288048197 /nfs/dbraw/zinc/04/81/97/288048197.db2.gz YQSCOFXIGFNFNR-MFKMUULPSA-N 0 0 322.232 3.401 20 10 DGCDRN CC[C@H]([NH2+]Cc1ccc(C)n(C)c1=O)c1cccc(Cl)c1[O-] ZINC000287069633 288050727 /nfs/dbraw/zinc/05/07/27/288050727.db2.gz NYXXMBCSKDPXGS-HNNXBMFYSA-N 0 0 320.820 3.294 20 10 DGCDRN Cc1ccc(C(=O)N2CC[C@H](C)c3cccc(O)c32)c(O)c1O ZINC000186343159 278787433 /nfs/dbraw/zinc/78/74/33/278787433.db2.gz ICCIIZWMFPTNHD-JTQLQIEISA-N 0 0 313.353 3.266 20 10 DGCDRN CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000189410781 279027297 /nfs/dbraw/zinc/02/72/97/279027297.db2.gz LCSPVNVMRFMKGY-IUCAKERBSA-N 0 0 319.232 3.216 20 10 DGCDRN CCc1sc(C(=O)NCc2cccc(OC)c2O)cc1C ZINC000068488876 431133509 /nfs/dbraw/zinc/13/35/09/431133509.db2.gz RIEQRSNCNOSCRC-UHFFFAOYSA-N 0 0 305.399 3.263 20 10 DGCDRN CCCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000071794245 431289508 /nfs/dbraw/zinc/28/95/08/431289508.db2.gz GOAHDBJQDNDZSY-QGZVFWFLSA-N 0 0 304.434 3.060 20 10 DGCDRN O=C(C[C@@H]1C=CCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000071808910 431293187 /nfs/dbraw/zinc/29/31/87/431293187.db2.gz ZJQOTHYXSXNVJW-WBVHZDCISA-N 0 0 315.413 3.256 20 10 DGCDRN COc1cccc(CNC(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)c1O ZINC000074209170 431405988 /nfs/dbraw/zinc/40/59/88/431405988.db2.gz PQQAQMGJMLASFU-OUCADQQQSA-N 0 0 306.406 3.025 20 10 DGCDRN O=C(CCC(F)(F)F)NCc1c(O)ccc2c1CCCC2 ZINC000075159552 431458661 /nfs/dbraw/zinc/45/86/61/431458661.db2.gz ONKBYRFOZLEDCK-UHFFFAOYSA-N 0 0 301.308 3.230 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C2(c3nccs3)CCCC2)c1 ZINC000116374524 431506946 /nfs/dbraw/zinc/50/69/46/431506946.db2.gz ZVWDWQWDDRQXQT-UHFFFAOYSA-N 0 0 319.386 3.316 20 10 DGCDRN CCCNC(=O)c1cccc(NCc2cccc(OC)c2O)c1 ZINC000121400102 431780650 /nfs/dbraw/zinc/78/06/50/431780650.db2.gz YVTWCXPXXQOHNQ-UHFFFAOYSA-N 0 0 314.385 3.153 20 10 DGCDRN CCOc1ccccc1N(C)C(=O)/C=C/c1cncc(F)c1 ZINC000121443157 431787360 /nfs/dbraw/zinc/78/73/60/431787360.db2.gz ZRPRYAXTWYGWAF-CMDGGOBGSA-N 0 0 300.333 3.296 20 10 DGCDRN Cc1n[nH]cc1CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000050182500 431947616 /nfs/dbraw/zinc/94/76/16/431947616.db2.gz WSOAWRRZNQENBC-UHFFFAOYSA-N 0 0 314.216 3.453 20 10 DGCDRN CCC[C@@H](C)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000248271601 432277396 /nfs/dbraw/zinc/27/73/96/432277396.db2.gz QGEBKGVEJRGEGO-ZBFHGGJFSA-N 0 0 305.418 3.336 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](C)c1ccccc1 ZINC000183426700 432293355 /nfs/dbraw/zinc/29/33/55/432293355.db2.gz HOWWJFPBKPAZOJ-UONOGXRCSA-N 0 0 313.397 3.339 20 10 DGCDRN CC[C@@H]1C[C@@H](C(=O)NCc2c(O)ccc3c2CCCC3)CCO1 ZINC000184058550 432351118 /nfs/dbraw/zinc/35/11/18/432351118.db2.gz ITCCMSSJLIQIKD-LSDHHAIUSA-N 0 0 317.429 3.092 20 10 DGCDRN Cc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1C ZINC000152985298 432373856 /nfs/dbraw/zinc/37/38/56/432373856.db2.gz GXDMVKNVTWHCNE-CYBMUJFWSA-N 0 0 314.385 3.467 20 10 DGCDRN CC[C@H](Nc1ccc(OCCC(N)=O)cc1)c1ccccc1O ZINC000192717837 432405631 /nfs/dbraw/zinc/40/56/31/432405631.db2.gz VTCJDRCYMNIEIN-INIZCTEOSA-N 0 0 314.385 3.210 20 10 DGCDRN CC1(c2ccccc2)CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000193146865 432454792 /nfs/dbraw/zinc/45/47/92/432454792.db2.gz KACLDTSGMRQUOU-UHFFFAOYSA-N 0 0 311.381 3.292 20 10 DGCDRN COCC[C@](C)(O)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192871847 432423607 /nfs/dbraw/zinc/42/36/07/432423607.db2.gz IPGWHEZEPPLAFU-XPTSAGLGSA-N 0 0 322.232 3.137 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CC[C@@H]2CCOC2)cc1F ZINC000176036312 432488886 /nfs/dbraw/zinc/48/88/86/432488886.db2.gz UBDDIKVPGYIOLC-CQSZACIVSA-N 0 0 322.424 3.105 20 10 DGCDRN C[C@H]([NH2+]CCN1CCc2sccc2C1)c1ccc(F)cc1[O-] ZINC000185104771 432467469 /nfs/dbraw/zinc/46/74/69/432467469.db2.gz IXUKQWCSEWJBTF-LBPRGKRZSA-N 0 0 320.433 3.302 20 10 DGCDRN COCCOCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185136975 432469638 /nfs/dbraw/zinc/46/96/38/432469638.db2.gz UHSYTJPWVITHRV-SECBINFHSA-N 0 0 308.205 3.013 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1nc(C)c(C)o1 ZINC000263651407 432562695 /nfs/dbraw/zinc/56/26/95/432562695.db2.gz CWNROYZRRGUUFM-UHFFFAOYSA-N 0 0 303.362 3.441 20 10 DGCDRN C[C@H]1CN(C(=O)c2cccc(O)c2O)CC[C@H]1c1ccccc1 ZINC000185737846 432529386 /nfs/dbraw/zinc/52/93/86/432529386.db2.gz LWIFLQVGEYJTTD-DZGCQCFKSA-N 0 0 311.381 3.364 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(OC)nc1 ZINC000263746026 432573230 /nfs/dbraw/zinc/57/32/30/432573230.db2.gz WIEWBSUAAFAXAZ-UHFFFAOYSA-N 0 0 315.373 3.240 20 10 DGCDRN Cc1ccc([C@@H](C)Nc2ccc3c(c2)N(C)C(=O)CO3)c(O)c1 ZINC000186326557 432583728 /nfs/dbraw/zinc/58/37/28/432583728.db2.gz YUKSULFBFCFJLS-GFCCVEGCSA-N 0 0 312.369 3.229 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC000186391545 432589342 /nfs/dbraw/zinc/58/93/42/432589342.db2.gz HFVWREOQTHAOKK-UPJWGTAASA-N 0 0 305.418 3.217 20 10 DGCDRN CCCN(Cc1nnc2n1CCCCC2)Cc1ccccc1O ZINC000263905194 432592346 /nfs/dbraw/zinc/59/23/46/432592346.db2.gz FQRUULGYAQPAMB-UHFFFAOYSA-N 0 0 314.433 3.122 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1ccc(F)cc1[O-] ZINC000273475444 432601773 /nfs/dbraw/zinc/60/17/73/432601773.db2.gz SSCMWJKGXZCUKI-CJNGLKHVSA-N 0 0 303.377 3.176 20 10 DGCDRN C[C@H]([NH2+]CCC[C@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000274081278 432634863 /nfs/dbraw/zinc/63/48/63/432634863.db2.gz WFEQQYQEKLLUJE-GXTWGEPZSA-N 0 0 308.378 3.300 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000217684776 432655856 /nfs/dbraw/zinc/65/58/56/432655856.db2.gz MYDSITRPJURHJA-KGLIPLIRSA-N 0 0 315.244 3.415 20 10 DGCDRN Cc1c([C@H](C)[NH2+]Cc2cc(Br)ccc2O)cnn1C ZINC000227437309 432711941 /nfs/dbraw/zinc/71/19/41/432711941.db2.gz TZCYYDBASXXUGK-VIFPVBQESA-N 0 0 324.222 3.047 20 10 DGCDRN C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000227689466 432714103 /nfs/dbraw/zinc/71/41/03/432714103.db2.gz OZIQXJSTGMAOHJ-QWRGUYRKSA-N 0 0 312.385 3.095 20 10 DGCDRN C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000227689478 432714325 /nfs/dbraw/zinc/71/43/25/432714325.db2.gz OZIQXJSTGMAOHJ-GHMZBOCLSA-N 0 0 312.385 3.095 20 10 DGCDRN CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187805548 432686858 /nfs/dbraw/zinc/68/68/58/432686858.db2.gz RYFVRBFAIPIMIO-BONVTDFDSA-N 0 0 301.377 3.364 20 10 DGCDRN CCC1(C(=O)N2CCOc3cc(N(C)C)ccc32)CCCC1 ZINC000188908313 432751672 /nfs/dbraw/zinc/75/16/72/432751672.db2.gz QJVKJEQNXHLRNI-UHFFFAOYSA-N 0 0 302.418 3.448 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn(C(C)C)c1 ZINC000276077759 432770545 /nfs/dbraw/zinc/77/05/45/432770545.db2.gz FTKSCEJQWNJPPL-UHFFFAOYSA-N 0 0 314.433 3.192 20 10 DGCDRN COc1ccc(CN(C(=O)Cc2ccc(N)cc2)C2CC2)cc1 ZINC000237282569 432783358 /nfs/dbraw/zinc/78/33/58/432783358.db2.gz FINCINOOCOGMAQ-UHFFFAOYSA-N 0 0 310.397 3.011 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(F)cc1F ZINC000237381604 432785245 /nfs/dbraw/zinc/78/52/45/432785245.db2.gz CIABXSKHXWTFQT-SECBINFHSA-N 0 0 307.296 3.250 20 10 DGCDRN Nc1ccc(CC(=O)N[C@H](c2ccccc2)c2ccncc2)cc1 ZINC000237914970 432804455 /nfs/dbraw/zinc/80/44/55/432804455.db2.gz LGQMKQVNUUPJFN-HXUWFJFHSA-N 0 0 317.392 3.112 20 10 DGCDRN O=C(NCc1ccccc1O)NC[C@@H]1CCC2(CCCCC2)O1 ZINC000276508989 432813770 /nfs/dbraw/zinc/81/37/70/432813770.db2.gz CUQWVWXRQWUGBO-HNNXBMFYSA-N 0 0 318.417 3.073 20 10 DGCDRN Cn1ncc(Sc2ncc(C(C)(C)C)s2)c(Cl)c1=O ZINC000268328677 432863920 /nfs/dbraw/zinc/86/39/20/432863920.db2.gz PFDMBDGAYRNBKG-UHFFFAOYSA-N 0 0 315.851 3.339 20 10 DGCDRN Cc1ccnc(NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000268371312 432866744 /nfs/dbraw/zinc/86/67/44/432866744.db2.gz YUORFNXSDUWEBA-UHFFFAOYSA-N 0 0 311.429 3.211 20 10 DGCDRN CC[C@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1cccc(Cl)c1[O-] ZINC000296241646 432887515 /nfs/dbraw/zinc/88/75/15/432887515.db2.gz CNINCCYERADRSD-LBPRGKRZSA-N 0 0 306.797 3.282 20 10 DGCDRN COc1cc2c(cc1N[C@@H]1CCc3cccc(O)c31)NC(=O)CC2 ZINC000296247037 432888450 /nfs/dbraw/zinc/88/84/50/432888450.db2.gz BAYVPBHAYSVGKJ-CYBMUJFWSA-N 0 0 324.380 3.385 20 10 DGCDRN COCCOCCC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278163517 432888449 /nfs/dbraw/zinc/88/84/49/432888449.db2.gz BWPYPBBZZXJLQA-SNVBAGLBSA-N 0 0 322.232 3.403 20 10 DGCDRN COCCOCCC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278163516 432889079 /nfs/dbraw/zinc/88/90/79/432889079.db2.gz BWPYPBBZZXJLQA-JTQLQIEISA-N 0 0 322.232 3.403 20 10 DGCDRN CC[C@H](C)[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(F)(F)F ZINC000278257734 432890770 /nfs/dbraw/zinc/89/07/70/432890770.db2.gz XVQCDJPBLMWPNZ-AMBAIVKFSA-N 0 0 317.307 3.204 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(O)c(OC)c1 ZINC000268103849 432846675 /nfs/dbraw/zinc/84/66/75/432846675.db2.gz XOONHRCHUAXING-UHFFFAOYSA-N 0 0 315.369 3.159 20 10 DGCDRN Fc1cc(CNc2ccnc(Cl)c2)ccc1N1CCOCC1 ZINC000268135544 432848805 /nfs/dbraw/zinc/84/88/05/432848805.db2.gz GNAJWGCROPZMDQ-UHFFFAOYSA-N 0 0 321.783 3.323 20 10 DGCDRN CC(C)[C@@H](C)C(=O)NCc1cccc(Br)c1O ZINC000277427170 432848939 /nfs/dbraw/zinc/84/89/39/432848939.db2.gz DJIMNFLMKCRVPH-SECBINFHSA-N 0 0 300.196 3.063 20 10 DGCDRN Cc1cc(C(=O)NCCC[C@H](C)O)c(C)n1-c1ccccc1C ZINC000279125445 432937304 /nfs/dbraw/zinc/93/73/04/432937304.db2.gz MMSPLWTWUHLPEZ-HNNXBMFYSA-N 0 0 314.429 3.293 20 10 DGCDRN CC(C)CO[C@H](C)c1noc(COc2ccc(N(C)C)cc2)n1 ZINC000278752217 432898783 /nfs/dbraw/zinc/89/87/83/432898783.db2.gz SBEHYUNMMAIFIP-CYBMUJFWSA-N 0 0 319.405 3.448 20 10 DGCDRN Cc1cc(C(=O)N[C@H]2CCOC[C@H]2C)c(C)n1-c1ccccc1 ZINC000278783499 432900237 /nfs/dbraw/zinc/90/02/37/432900237.db2.gz YLLXNQFVVDBSAW-ACJLOTCBSA-N 0 0 312.413 3.249 20 10 DGCDRN Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cccc(O)c3O)C2)cc1 ZINC000278916124 432916403 /nfs/dbraw/zinc/91/64/03/432916403.db2.gz JYXHWADYQHVJAZ-DZGCQCFKSA-N 0 0 311.381 3.424 20 10 DGCDRN Cc1noc([C@@H]2CCCCN2Cc2cc(C)c(C)cc2O)n1 ZINC000289749914 432973162 /nfs/dbraw/zinc/97/31/62/432973162.db2.gz JDDNWLYZHFTINE-HNNXBMFYSA-N 0 0 301.390 3.428 20 10 DGCDRN COCc1nc(CN[C@@H](C)c2cc(Cl)ccc2O)cs1 ZINC000289776660 432975332 /nfs/dbraw/zinc/97/53/32/432975332.db2.gz MKZMWNCULIXNCC-VIFPVBQESA-N 0 0 312.822 3.499 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000373466361 433154340 /nfs/dbraw/zinc/15/43/40/433154340.db2.gz OERDXGTYLAFFHH-SECBINFHSA-N 0 0 302.201 3.167 20 10 DGCDRN COc1cc(Cl)cc(CN2C[C@H](C)O[C@@H](C3CC3)C2)c1O ZINC000373472903 433153619 /nfs/dbraw/zinc/15/36/19/433153619.db2.gz GOLKYWPVOXPCJH-ZUZCIYMTSA-N 0 0 311.809 3.054 20 10 DGCDRN CN(C)c1ccc(CN2CC[C@@H](n3cc(Cl)cn3)C2)cc1F ZINC000291014715 433217780 /nfs/dbraw/zinc/21/77/80/433217780.db2.gz XEYUAFXLLCAVDY-CQSZACIVSA-N 0 0 322.815 3.189 20 10 DGCDRN CN(C(=O)/C=C/c1ccc(O)c(O)c1)C1CCC(F)(F)CC1 ZINC000291626851 433288496 /nfs/dbraw/zinc/28/84/96/433288496.db2.gz AERRPXMUPNNFMV-HWKANZROSA-N 0 0 311.328 3.147 20 10 DGCDRN C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273552650 289745240 /nfs/dbraw/zinc/74/52/40/289745240.db2.gz GFPUKLYTUZCTDY-NEPJUHHUSA-N 0 0 316.357 3.288 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CCCC2CCOCC2)cc1F ZINC000281749517 433366459 /nfs/dbraw/zinc/36/64/59/433366459.db2.gz DWQXQEULKRDYEV-UHFFFAOYSA-N 0 0 322.424 3.105 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCC[C@@H](OCC3CC3)C2)c1O ZINC000375320658 433428412 /nfs/dbraw/zinc/42/84/12/433428412.db2.gz RMGBVOSJSIQDRH-MRXNPFEDSA-N 0 0 321.392 3.125 20 10 DGCDRN Cc1n[nH]cc1C1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000375265374 433404468 /nfs/dbraw/zinc/40/44/68/433404468.db2.gz GYWUHSHGXHCLJH-UHFFFAOYSA-N 0 0 305.809 3.457 20 10 DGCDRN Cc1cc([N+](=O)[O-])cnc1NCc1ccc2c(c1)CCCN2C ZINC000301209231 433456714 /nfs/dbraw/zinc/45/67/14/433456714.db2.gz VKTMMSIHOZKPIE-UHFFFAOYSA-N 0 0 312.373 3.293 20 10 DGCDRN Cc1nsc(C)c1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000292488736 433568228 /nfs/dbraw/zinc/56/82/28/433568228.db2.gz BHJKGFZQSXSCRK-UHFFFAOYSA-N 0 0 315.442 3.290 20 10 DGCDRN Cc1cccc(CNc2cc(F)cc(N3CCOCC3)c2)c1O ZINC000282775963 433628531 /nfs/dbraw/zinc/62/85/31/433628531.db2.gz KDGUCXBXQWNVQN-UHFFFAOYSA-N 0 0 316.376 3.288 20 10 DGCDRN CCCC[N@H+](Cc1cccc(C(N)=O)c1)Cc1ccccc1O ZINC000282412906 433598223 /nfs/dbraw/zinc/59/82/23/433598223.db2.gz ITIIQXQNPNGEBO-UHFFFAOYSA-N 0 0 312.413 3.293 20 10 DGCDRN CC(=O)Nc1ccc(/C=C2/SC(=S)N(C3CC3)C2=O)cc1 ZINC000292867013 433602854 /nfs/dbraw/zinc/60/28/54/433602854.db2.gz BQOHQHRQMRNXME-MDWZMJQESA-N 0 0 318.423 3.009 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2nc(C)oc2C)cc1F ZINC000292927537 433604919 /nfs/dbraw/zinc/60/49/19/433604919.db2.gz DYQAXSZEQQDXMY-UHFFFAOYSA-N 0 0 319.380 3.207 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)C[C@](C)(O)C1CC1 ZINC000282436486 433608315 /nfs/dbraw/zinc/60/83/15/433608315.db2.gz HVAYXEHOGLGNOE-SFHVURJKSA-N 0 0 305.418 3.072 20 10 DGCDRN C[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000282464058 433609798 /nfs/dbraw/zinc/60/97/98/433609798.db2.gz VTNMDWSXHBWEAS-LILOVNGRSA-N 0 0 322.257 3.261 20 10 DGCDRN COCCC1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCC1 ZINC000293558207 433781697 /nfs/dbraw/zinc/78/16/97/433781697.db2.gz HVINDQASHYCHFZ-UHFFFAOYSA-N 0 0 301.789 3.481 20 10 DGCDRN CCc1nc(C)c(C(=O)NCc2c(O)ccc3c2CCCC3)o1 ZINC000293660298 433819364 /nfs/dbraw/zinc/81/93/64/433819364.db2.gz JBHSRTDCJCIQSJ-UHFFFAOYSA-N 0 0 314.385 3.060 20 10 DGCDRN Cc1occc1-c1nnc(NCc2c(C)c3ccccc3n2C)o1 ZINC000344229781 433852824 /nfs/dbraw/zinc/85/28/24/433852824.db2.gz YJTQNFLJSPUWSV-UHFFFAOYSA-N 0 0 322.368 4.050 20 10 DGCDRN CN(C)[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccco1 ZINC000293795214 433871833 /nfs/dbraw/zinc/87/18/33/433871833.db2.gz BPVBEKGXXNSLQK-CYBMUJFWSA-N 0 0 312.772 3.170 20 10 DGCDRN CCOc1cncc(N2CC=C(c3c[nH]c4ncccc34)CC2)n1 ZINC000362880398 433896600 /nfs/dbraw/zinc/89/66/00/433896600.db2.gz ZGCWNYVJGIGKGZ-UHFFFAOYSA-N 0 0 321.384 3.045 20 10 DGCDRN COc1ccc(O)c(CNc2cc(OC)c(C)c(OC)c2)c1 ZINC000293901378 433917440 /nfs/dbraw/zinc/91/74/40/433917440.db2.gz LBRPPTRKWPBIMX-UHFFFAOYSA-N 0 0 303.358 3.339 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2cc(C)on2)c1O ZINC000362847824 433885419 /nfs/dbraw/zinc/88/54/19/433885419.db2.gz QPIIZVNIXPASTB-MRXNPFEDSA-N 0 0 318.348 3.367 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@@H](O)c1ccccc1 ZINC000293966684 433944583 /nfs/dbraw/zinc/94/45/83/433944583.db2.gz QHRIYNIWLGROMM-QLJPJBMISA-N 0 0 309.768 3.396 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1C[C@H]1c1ccco1 ZINC000363096511 433970263 /nfs/dbraw/zinc/97/02/63/433970263.db2.gz WQQUETGQAHUFKD-IAGOWNOFSA-N 0 0 310.397 3.300 20 10 DGCDRN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1c(F)cncc1F ZINC000285418548 433941434 /nfs/dbraw/zinc/94/14/34/433941434.db2.gz GJZJPMOMAAZDJS-SNVBAGLBSA-N 0 0 309.335 3.416 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000285703044 434044463 /nfs/dbraw/zinc/04/44/63/434044463.db2.gz PCXPXMAXSLTTKP-WBVHZDCISA-N 0 0 307.340 3.445 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@H](C)C2)cc1 ZINC000363446863 434055779 /nfs/dbraw/zinc/05/57/79/434055779.db2.gz PUKMVMVARCWDEC-CQSZACIVSA-N 0 0 312.413 3.203 20 10 DGCDRN Cn1ccc(/C=C\C(=O)N2C[C@@H]3CCCN3c3ccccc32)c1 ZINC000493471043 294001280 /nfs/dbraw/zinc/00/12/80/294001280.db2.gz XSHDKXVFIJRVNT-QWGSZXSUSA-N 0 0 307.397 3.054 20 10 DGCDRN CC(C)c1nnc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])[nH]1 ZINC000294756452 434131133 /nfs/dbraw/zinc/13/11/33/434131133.db2.gz ISHYKFIAHUMMDU-UHFFFAOYSA-N 0 0 315.204 3.230 20 10 DGCDRN CO[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])CC1(C)C ZINC000294934994 434153299 /nfs/dbraw/zinc/15/32/99/434153299.db2.gz GOJVUGFZHQEOIW-CQSZACIVSA-N 0 0 301.789 3.432 20 10 DGCDRN CC[C@@H](NCc1ncc(C(F)(F)F)cn1)c1ccccc1O ZINC000295068156 434178444 /nfs/dbraw/zinc/17/84/44/434178444.db2.gz QTTHFKBAGPMITA-GFCCVEGCSA-N 0 0 311.307 3.442 20 10 DGCDRN Cc1ccc(O)c(C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)c1 ZINC000295115640 434209685 /nfs/dbraw/zinc/20/96/85/434209685.db2.gz MJVWNZPZUCIHOM-CQSZACIVSA-N 0 0 322.449 3.484 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CCC3(CCCC3)C2)ccc1[N+](=O)[O-] ZINC000364759957 434281281 /nfs/dbraw/zinc/28/12/81/434281281.db2.gz OPYVGSVUZHFXIL-UHFFFAOYSA-N 0 0 306.362 3.075 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](CO)CCOC)c1cc(Cl)cc(Cl)c1[O-] ZINC000286967848 434297624 /nfs/dbraw/zinc/29/76/24/434297624.db2.gz IHYAUCCPKQEJGZ-ZWNOBZJWSA-N 0 0 322.232 3.137 20 10 DGCDRN Cc1cc(C(=O)NCCC(C)(C)CO)c(C)n1-c1ccccc1 ZINC000295304445 434302365 /nfs/dbraw/zinc/30/23/65/434302365.db2.gz BRCJJVXBTPJVQL-UHFFFAOYSA-N 0 0 314.429 3.233 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNc1nc(C)nc2[nH]ccc21 ZINC000359845091 434444272 /nfs/dbraw/zinc/44/42/72/434444272.db2.gz OLPQKWFJSVNBLZ-UHFFFAOYSA-N 0 0 305.385 3.679 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CCCCC1(F)F ZINC000296021734 434477979 /nfs/dbraw/zinc/47/79/79/434477979.db2.gz LDNANFMXGIHGBS-HOSRBBHYSA-N 0 0 311.328 3.053 20 10 DGCDRN COc1cccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273428431 295299745 /nfs/dbraw/zinc/29/97/45/295299745.db2.gz VBGWUDKOCFUYMC-NSHDSACASA-N 0 0 302.330 3.160 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000369390930 434592820 /nfs/dbraw/zinc/59/28/20/434592820.db2.gz GSBAISDNPUKGIU-GFCCVEGCSA-N 0 0 322.767 3.233 20 10 DGCDRN Cn1nccc1[C@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000372812805 434856035 /nfs/dbraw/zinc/85/60/35/434856035.db2.gz CCTFYDNWOBIGLJ-NSHDSACASA-N 0 0 323.799 3.298 20 10 DGCDRN CN(C(=O)/C=C/c1ccccc1-n1cccn1)c1ncccc1F ZINC000492047519 434905421 /nfs/dbraw/zinc/90/54/21/434905421.db2.gz QKTBUFFRQNFTBK-MDZDMXLPSA-N 0 0 322.343 3.083 20 10 DGCDRN CC(C)c1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1 ZINC000522513422 434924898 /nfs/dbraw/zinc/92/48/98/434924898.db2.gz KHOBVJWIXIWKPD-UHFFFAOYSA-N 0 0 313.382 3.076 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)N(C[C@@H]1CCCO1)c1ccncc1 ZINC000492496092 434995331 /nfs/dbraw/zinc/99/53/31/434995331.db2.gz ZTQXBVUFBLENDA-WRFKIARRSA-N 0 0 323.396 3.010 20 10 DGCDRN O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCOCc2ccccc21 ZINC000492709578 435038508 /nfs/dbraw/zinc/03/85/08/435038508.db2.gz RDHBKLCSKTYJFC-MDZDMXLPSA-N 0 0 324.336 3.171 20 10 DGCDRN CCN(C(=O)/C=C\c1ccn(C)c1)c1ccc(OC)c(OC)c1 ZINC000493040871 435096916 /nfs/dbraw/zinc/09/69/16/435096916.db2.gz UWUYIISHHAIZJD-TWGQIWQCSA-N 0 0 314.385 3.109 20 10 DGCDRN CN(C(=O)/C=C\c1cnccn1)c1cccc(OC(F)(F)F)c1 ZINC000491480276 435757041 /nfs/dbraw/zinc/75/70/41/435757041.db2.gz VSGUQPUBQYEAFT-WAYWQWQTSA-N 0 0 323.274 3.051 20 10 DGCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CCCC2)CCCC1 ZINC000650983438 436083565 /nfs/dbraw/zinc/08/35/65/436083565.db2.gz DKNIYVSKIFAOQM-UHFFFAOYSA-N 0 0 312.413 3.151 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](SCC)C(C)C ZINC001634940019 1194524124 /nfs/dbraw/zinc/52/41/24/1194524124.db2.gz WZFDCODFOBAVCS-OAHLLOKOSA-N 0 0 316.463 3.272 20 10 DGCDRN CC(C)(CO)[C@H]([NH2+]Cc1cccc(Cl)c1[O-])c1cccnc1 ZINC000293748059 335113064 /nfs/dbraw/zinc/11/30/64/335113064.db2.gz WNINRRXVOCMLCG-MRXNPFEDSA-N 0 0 320.820 3.290 20 10 DGCDRN CC(C)[C@@H]1N(C(=O)/C=C/c2ccc(O)c(O)c2)CC12CCC2 ZINC000293664679 335114871 /nfs/dbraw/zinc/11/48/71/335114871.db2.gz FWKHRILKVWKIIM-UABRLCRWSA-N 0 0 301.386 3.148 20 10 DGCDRN Cc1cc(C(=O)N[C@H]2CCCOCC2)c(C)n1-c1ccccc1 ZINC000180996544 333166594 /nfs/dbraw/zinc/16/65/94/333166594.db2.gz VYEXJTPKZKQGPQ-INIZCTEOSA-N 0 0 312.413 3.393 20 10 DGCDRN CCCOc1ccc(C[N@H+](C)[C@H](CO)c2ccccc2)c(O)c1 ZINC000295143469 335132794 /nfs/dbraw/zinc/13/27/94/335132794.db2.gz ZYTNZSUXQPTFMC-GOSISDBHSA-N 0 0 315.413 3.346 20 10 DGCDRN COc1ccc(C[N@H+](C)Cc2cccc(F)c2[O-])c(OC)c1 ZINC000272347239 334033674 /nfs/dbraw/zinc/03/36/74/334033674.db2.gz ZVLUXFUVHJJSCD-UHFFFAOYSA-N 0 0 305.349 3.181 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@H](F)C1 ZINC000584533659 337357489 /nfs/dbraw/zinc/35/74/89/337357489.db2.gz IRIIXEXEBSOHFB-ZDUSSCGKSA-N 0 0 303.381 3.130 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000528829551 340736171 /nfs/dbraw/zinc/73/61/71/340736171.db2.gz YBWVVNVXOZKWGW-FHIRATQRSA-N 0 0 305.418 3.190 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H](C)c2ccco2)c1 ZINC000528859020 340737125 /nfs/dbraw/zinc/73/71/25/340737125.db2.gz FUEOKLSJDFVDRD-VXGBXAGGSA-N 0 0 303.358 3.365 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2conc2C(C)C)c1 ZINC000528860108 340737232 /nfs/dbraw/zinc/73/72/32/340737232.db2.gz JFWLRAFPCGACHG-SNVBAGLBSA-N 0 0 304.346 3.003 20 10 DGCDRN COC(=O)c1cnc(SC[C@@H](O)CCc2ccccc2)s1 ZINC000295951924 534307662 /nfs/dbraw/zinc/30/76/62/534307662.db2.gz ITAXGTQIKXHEIN-LBPRGKRZSA-N 0 0 323.439 3.016 20 10 DGCDRN CC(=O)c1cc(C(=O)NCc2ccc(N(C)C)cc2)ccc1C ZINC000193703558 518266478 /nfs/dbraw/zinc/26/64/78/518266478.db2.gz XALUHQHAAIMXFX-UHFFFAOYSA-N 0 0 310.397 3.194 20 10 DGCDRN CC(=O)CCC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000192914802 519391042 /nfs/dbraw/zinc/39/10/42/519391042.db2.gz ZYSIPNXZFQFEPP-UHFFFAOYSA-N 0 0 316.445 3.441 20 10 DGCDRN CC(C)OCCC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000267567977 519756601 /nfs/dbraw/zinc/75/66/01/519756601.db2.gz MQTXDMHCDDXKST-UHFFFAOYSA-N 0 0 324.384 3.150 20 10 DGCDRN CC(C)[C@@H](CNC(=O)NCc1ccccc1O)c1cccnc1 ZINC000267651759 519794483 /nfs/dbraw/zinc/79/44/83/519794483.db2.gz WFVYADPBDZCNLT-MRXNPFEDSA-N 0 0 313.401 3.026 20 10 DGCDRN CCCCCCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000120689008 519955530 /nfs/dbraw/zinc/95/55/30/519955530.db2.gz ATDJIQAPHPLHGJ-UHFFFAOYSA-N 0 0 322.424 3.249 20 10 DGCDRN Cc1nc(NC(=O)NCc2c(C)c3ccccc3n2C)oc1C ZINC000348545772 534471994 /nfs/dbraw/zinc/47/19/94/534471994.db2.gz WSEKQLMJWIGENI-UHFFFAOYSA-N 0 0 312.373 3.413 20 10 DGCDRN CCCOc1ccc([C@@H](C)NC(=O)Cc2ccc(N)cc2)cc1 ZINC000269216069 520411495 /nfs/dbraw/zinc/41/14/95/520411495.db2.gz DVRQDMPULVCWBA-CQSZACIVSA-N 0 0 312.413 3.478 20 10 DGCDRN CCN(CC)c1ccc(CNCc2cn(C(C)(C)C)nn2)cc1 ZINC000190792600 520908864 /nfs/dbraw/zinc/90/88/64/520908864.db2.gz VQTCQCACEVMGDG-UHFFFAOYSA-N 0 0 315.465 3.169 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC(=O)C[C@@H]1C ZINC000130414006 521689134 /nfs/dbraw/zinc/68/91/34/521689134.db2.gz SQVXDMYGPLFQAJ-BBRMVZONSA-N 0 0 303.402 3.136 20 10 DGCDRN CCS[C@H]1CCC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180843735 521731792 /nfs/dbraw/zinc/73/17/92/521731792.db2.gz NKLLVTWWYUKHRX-CYUPMTOZSA-N 0 0 321.442 3.292 20 10 DGCDRN CCS[C@H]1CCC[C@H](NC(=O)NCc2ccccc2O)C1 ZINC000267356728 521731802 /nfs/dbraw/zinc/73/18/02/521731802.db2.gz RYJZPGCJKVTTPZ-KBPBESRZSA-N 0 0 308.447 3.256 20 10 DGCDRN COCC[C@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000266885276 521905412 /nfs/dbraw/zinc/90/54/12/521905412.db2.gz XLHDUWLMUBBOTR-HNNXBMFYSA-N 0 0 321.465 3.098 20 10 DGCDRN CC[C@@H](C)[C@@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000182370187 522279737 /nfs/dbraw/zinc/27/97/37/522279737.db2.gz UMRLELCZKKBZPK-HUUCEWRRSA-N 0 0 304.434 3.026 20 10 DGCDRN CC[C@H](CSC)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000181218231 522283595 /nfs/dbraw/zinc/28/35/95/522283595.db2.gz GJLAEWVEDGHLEH-CQSZACIVSA-N 0 0 317.458 3.361 20 10 DGCDRN COc1cc(N(C)Cc2cncc(C)c2)cc(OC)c1OC ZINC000189899526 522621551 /nfs/dbraw/zinc/62/15/51/522621551.db2.gz VNDKUBOQNGEZIQ-UHFFFAOYSA-N 0 0 302.374 3.052 20 10 DGCDRN CCc1ocnc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000265678826 523022830 /nfs/dbraw/zinc/02/28/30/523022830.db2.gz BEQFBWWLGIGCHE-UHFFFAOYSA-N 0 0 313.401 3.108 20 10 DGCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1nccc2occc21 ZINC000266123224 523265922 /nfs/dbraw/zinc/26/59/22/523265922.db2.gz APDQNJOWYITTCW-UHFFFAOYSA-N 0 0 323.396 3.301 20 10 DGCDRN COCCCOC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000180354387 523384184 /nfs/dbraw/zinc/38/41/84/523384184.db2.gz JVYCMSLOBGULGQ-UHFFFAOYSA-N 0 0 313.825 3.063 20 10 DGCDRN CC[C@H]1[C@@H](C)CCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000188091042 523424798 /nfs/dbraw/zinc/42/47/98/523424798.db2.gz LKERYTKIDPGMTH-YJBOKZPZSA-N 0 0 313.445 3.393 20 10 DGCDRN CC[C@@](C)(NC(=O)Cc1ccc(N)cc1)c1nc(C)cs1 ZINC000237060771 523650108 /nfs/dbraw/zinc/65/01/08/523650108.db2.gz GXCSSTJGNSRSMS-MRXNPFEDSA-N 0 0 303.431 3.018 20 10 DGCDRN CCc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000186661671 523985658 /nfs/dbraw/zinc/98/56/58/523985658.db2.gz ALQWAKNLIRDTHK-GFCCVEGCSA-N 0 0 314.385 3.413 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)c1ncon1 ZINC000182539287 524220109 /nfs/dbraw/zinc/22/01/09/524220109.db2.gz NZYXQQVCWHCIKC-NSHDSACASA-N 0 0 316.386 3.030 20 10 DGCDRN Cc1cc(C)cc(CCC(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000157817060 524373260 /nfs/dbraw/zinc/37/32/60/524373260.db2.gz IIHUCGVSESOPFL-UHFFFAOYSA-N 0 0 313.397 3.006 20 10 DGCDRN COc1ccc(N2CCN(C(=O)[C@H](C)C(C)(C)C)CC2)cc1F ZINC000267967831 524416795 /nfs/dbraw/zinc/41/67/95/524416795.db2.gz MUQXRIAYPNJBHA-ZDUSSCGKSA-N 0 0 322.424 3.165 20 10 DGCDRN C[C@@H](N(C)C(=O)NCc1ccc(N(C)C)c(F)c1)C1(C)CC1 ZINC000176465548 524978179 /nfs/dbraw/zinc/97/81/79/524978179.db2.gz OXIUGHHXRFTCTQ-GFCCVEGCSA-N 0 0 307.413 3.222 20 10 DGCDRN Cc1[nH]ccc1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000176320178 525453644 /nfs/dbraw/zinc/45/36/44/525453644.db2.gz FQMWRAPUGAVDFX-UHFFFAOYSA-N 0 0 311.429 3.489 20 10 DGCDRN C[C@@](O)(CC[NH2+]Cc1cccc(Cl)c1[O-])c1ccccc1 ZINC000190275840 525763711 /nfs/dbraw/zinc/76/37/11/525763711.db2.gz UTNJTWDIXIZTEK-QGZVFWFLSA-N 0 0 305.805 3.433 20 10 DGCDRN Cc1ccoc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000264793983 525779236 /nfs/dbraw/zinc/77/92/36/525779236.db2.gz XZFYTEFMPSPDGG-OAHLLOKOSA-N 0 0 315.369 3.115 20 10 DGCDRN COc1cccc(CN2CCCC[C@H]2C(=O)OC(C)(C)C)c1O ZINC000131870866 525936502 /nfs/dbraw/zinc/93/65/02/525936502.db2.gz YSVMYCQCSGPNNS-AWEZNQCLSA-N 0 0 321.417 3.097 20 10 DGCDRN Cc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])cc1 ZINC000191213105 525976433 /nfs/dbraw/zinc/97/64/33/525976433.db2.gz GFJLRZHTXGULPW-IAQYHMDHSA-N 0 0 307.340 3.363 20 10 DGCDRN COc1cccc(CNC(=O)[C@H](C)Cc2ccc(C)cc2)c1O ZINC000182507164 525998957 /nfs/dbraw/zinc/99/89/57/525998957.db2.gz XNGCWMQDBOITHS-CQSZACIVSA-N 0 0 313.397 3.204 20 10 DGCDRN Cc1cnccc1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000121978275 526238411 /nfs/dbraw/zinc/23/84/11/526238411.db2.gz HGMMCVCDKYZNSU-UHFFFAOYSA-N 0 0 310.401 3.094 20 10 DGCDRN Cc1ccc2nc(CNCc3ccc(N(C)C)c(F)c3)cn2c1 ZINC000264965593 526249436 /nfs/dbraw/zinc/24/94/36/526249436.db2.gz PJVPCDLDZJNBPM-UHFFFAOYSA-N 0 0 312.392 3.138 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1CC=CCC1 ZINC000128030427 526679914 /nfs/dbraw/zinc/67/99/14/526679914.db2.gz SIWCUDOILBKQQG-MRXNPFEDSA-N 0 0 311.429 3.218 20 10 DGCDRN Nc1ccc(CC(=O)NCC2(c3cccc(Cl)c3)CC2)cc1 ZINC000237899233 527477227 /nfs/dbraw/zinc/47/72/27/527477227.db2.gz HPBPAKVXXRDHAN-UHFFFAOYSA-N 0 0 314.816 3.313 20 10 DGCDRN Nc1ccc(CCNC(=O)C2(c3cccc(F)c3)CCC2)cc1 ZINC000237930956 527479064 /nfs/dbraw/zinc/47/90/64/527479064.db2.gz DCJDNEYSSIUZIY-UHFFFAOYSA-N 0 0 312.388 3.189 20 10 DGCDRN CC(C)CN(C(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1 ZINC000155690139 527901296 /nfs/dbraw/zinc/90/12/96/527901296.db2.gz UUEBYOLJJWFHFS-UHFFFAOYSA-N 0 0 313.445 3.393 20 10 DGCDRN CCCN(Cc1ccccc1O)c1cc(C)c([N+](=O)[O-])cn1 ZINC000301798910 528148568 /nfs/dbraw/zinc/14/85/68/528148568.db2.gz ZOARLCOXIPLSOJ-UHFFFAOYSA-N 0 0 301.346 3.420 20 10 DGCDRN CC(C)Cn1nccc1NC(=O)c1ccc(C2=S=CC=C2)o1 ZINC000341099659 528760530 /nfs/dbraw/zinc/76/05/30/528760530.db2.gz QKOLMLKCHITUKA-UHFFFAOYSA-N 0 0 315.398 3.010 20 10 DGCDRN CC(C)(C)c1ccccc1OCC(=O)NCc1ccc(N)cc1 ZINC000297169131 535130297 /nfs/dbraw/zinc/13/02/97/535130297.db2.gz KIUJNXJZKXOXSE-UHFFFAOYSA-N 0 0 312.413 3.262 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000296130074 535260591 /nfs/dbraw/zinc/26/05/91/535260591.db2.gz SEYYOGDXSCGIHC-UHFFFAOYSA-N 0 0 322.405 3.356 20 10 DGCDRN CCOc1ccc(O)c(CNc2ccc(OCCCO)cc2)c1 ZINC000285618747 535752379 /nfs/dbraw/zinc/75/23/79/535752379.db2.gz XYQOGHXWNRITHF-UHFFFAOYSA-N 0 0 317.385 3.164 20 10 DGCDRN CC[C@@H]1C[C@@H](C(=O)N(CC)Cc2ccc(N(C)C)cc2)CCO1 ZINC000272578584 535855370 /nfs/dbraw/zinc/85/53/70/535855370.db2.gz KTNPHWOBRRIQMM-FUHWJXTLSA-N 0 0 318.461 3.306 20 10 DGCDRN CC[C@H]([NH2+]CCSCCCO)c1cccc(Cl)c1[O-] ZINC000287834291 535904734 /nfs/dbraw/zinc/90/47/34/535904734.db2.gz VVJXBWACIIYPSL-ZDUSSCGKSA-N 0 0 303.855 3.202 20 10 DGCDRN CN(C(=O)/C=C/c1cncc(F)c1)c1cccc2cccnc21 ZINC000492597834 535938491 /nfs/dbraw/zinc/93/84/91/535938491.db2.gz SKOQFBLJUGFRHQ-BQYQJAHWSA-N 0 0 307.328 3.445 20 10 DGCDRN CC[C@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000286002648 535944956 /nfs/dbraw/zinc/94/49/56/535944956.db2.gz HPUCNSFUTCHBLS-RDJZCZTQSA-N 0 0 321.367 3.315 20 10 DGCDRN CC[C@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccc(F)cc1[O-] ZINC000286080788 535947643 /nfs/dbraw/zinc/94/76/43/535947643.db2.gz LNOVCNOFXXNVIF-HOCLYGCPSA-N 0 0 315.392 3.246 20 10 DGCDRN CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NCc1ccc(N)cc1 ZINC000297118244 536041034 /nfs/dbraw/zinc/04/10/34/536041034.db2.gz GHXVNHWTFRMYLJ-XKQJLSEDSA-N 0 0 304.434 3.259 20 10 DGCDRN COCc1ccc(CN(C)c2cc(OC)c(OC)c(OC)c2)o1 ZINC000272509061 536764477 /nfs/dbraw/zinc/76/44/77/536764477.db2.gz IODFTXIBSQLMJX-UHFFFAOYSA-N 0 0 321.373 3.088 20 10 DGCDRN COCCc1ccnc(N[C@H](C)c2cc(OC)ccc2O)c1 ZINC000286955458 536832530 /nfs/dbraw/zinc/83/25/30/536832530.db2.gz BSAXWCBUQJKCGI-GFCCVEGCSA-N 0 0 302.374 3.158 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC=CCC3)ccc21 ZINC000679298290 548872424 /nfs/dbraw/zinc/87/24/24/548872424.db2.gz ILXLKEVNWWWCBB-UHFFFAOYSA-N 0 0 312.413 3.307 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccncc2C)cc1 ZINC000730565875 574531842 /nfs/dbraw/zinc/53/18/42/574531842.db2.gz IGKBXESLYXTMJA-UHFFFAOYSA-N 0 0 305.381 3.472 20 10 DGCDRN O=C(NC[C@H](c1ccco1)N1CCCCC1)C1=CC(=O)CS1 ZINC000731863785 574560450 /nfs/dbraw/zinc/56/04/50/574560450.db2.gz DZGCLPPOXTYCJL-CYBMUJFWSA-N 0 0 320.414 3.004 20 10 DGCDRN O=C(NC[C@@H](c1ccccc1)N1CCCC1)C1=CC(=O)CS1 ZINC000731865351 574560758 /nfs/dbraw/zinc/56/07/58/574560758.db2.gz CAHOHUDDFGNEKZ-HNNXBMFYSA-N 0 0 316.426 3.021 20 10 DGCDRN O=C(Nc1nnc(-c2ccccc2)s1)C1=CC(=O)CS1 ZINC000731867842 574561378 /nfs/dbraw/zinc/56/13/78/574561378.db2.gz YEUDOQNDRQYOBD-UHFFFAOYSA-N 0 0 303.368 3.225 20 10 DGCDRN COc1ccccc1CN(C(=O)C1=CC(=O)CS1)C1CC1 ZINC000732274254 574569846 /nfs/dbraw/zinc/56/98/46/574569846.db2.gz PLBFDDDUUSQCGC-UHFFFAOYSA-N 0 0 303.383 3.267 20 10 DGCDRN O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)C1=CC(=O)CS1 ZINC000732276934 574570211 /nfs/dbraw/zinc/57/02/11/574570211.db2.gz WYWGROKRXWWGLC-ZFWWWQNUSA-N 0 0 321.373 3.243 20 10 DGCDRN Cc1ccc(O)c(C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)c1 ZINC000733322680 574615440 /nfs/dbraw/zinc/61/54/40/574615440.db2.gz RPWRKJXXCMGLBC-UHFFFAOYSA-N 0 0 324.424 3.226 20 10 DGCDRN O=C(CCc1ccsc1)NCCCSc1nccs1 ZINC000733883844 574641619 /nfs/dbraw/zinc/64/16/19/574641619.db2.gz DPEBTACCFYDZQE-UHFFFAOYSA-N 0 0 312.485 3.436 20 10 DGCDRN CCc1ccc(NC(=S)NCc2cc(OC)ccc2O)cc1 ZINC000733905666 574642683 /nfs/dbraw/zinc/64/26/83/574642683.db2.gz CRRFPRUFJMQMPM-UHFFFAOYSA-N 0 0 316.426 3.450 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)COC1CCCCC1 ZINC000734404529 574659735 /nfs/dbraw/zinc/65/97/35/574659735.db2.gz JEJYQCGWORSQQY-UHFFFAOYSA-N 0 0 304.434 3.027 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cc(Cl)ccc1O ZINC000734406258 574659943 /nfs/dbraw/zinc/65/99/43/574659943.db2.gz SXZBQJTYMXLERV-UHFFFAOYSA-N 0 0 318.804 3.350 20 10 DGCDRN COc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)c(F)c1 ZINC000734407225 574659959 /nfs/dbraw/zinc/65/99/59/574659959.db2.gz IEDPTUWYYAADKY-UHFFFAOYSA-N 0 0 316.376 3.139 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cc(Cl)ccn1 ZINC000734407438 574659981 /nfs/dbraw/zinc/65/99/81/574659981.db2.gz VYBNOHPEFYYWNE-UHFFFAOYSA-N 0 0 303.793 3.039 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CCc1ccc(F)cc1 ZINC000734406225 574660038 /nfs/dbraw/zinc/66/00/38/574660038.db2.gz NZJSRZICZPSJJR-UHFFFAOYSA-N 0 0 314.404 3.449 20 10 DGCDRN CC[C@H]1COCCN1C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000734415497 574660244 /nfs/dbraw/zinc/66/02/44/574660244.db2.gz OEURCUAXOJAXHT-KRWDZBQOSA-N 0 0 312.413 3.345 20 10 DGCDRN CC(C)C(C)(C)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000734942145 574683094 /nfs/dbraw/zinc/68/30/94/574683094.db2.gz JUWLUWXHIRSXTE-UHFFFAOYSA-N 0 0 303.450 3.303 20 10 DGCDRN Cc1ccc(NNC(=S)Nc2ccc3c(c2)OCO3)c(C)c1 ZINC000735233568 574692086 /nfs/dbraw/zinc/69/20/86/574692086.db2.gz FZZSYQBDJSHCDI-UHFFFAOYSA-N 0 0 315.398 3.346 20 10 DGCDRN CN(C)c1cccc([C@@H]2CCCN2C(=O)C2=CC(=O)CS2)c1 ZINC000735522776 574704708 /nfs/dbraw/zinc/70/47/08/574704708.db2.gz YKWGWMVYYNKZRQ-HNNXBMFYSA-N 0 0 316.426 3.497 20 10 DGCDRN CCCCOCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000735632602 574709670 /nfs/dbraw/zinc/70/96/70/574709670.db2.gz VLQZUVGREQJEGG-UHFFFAOYSA-N 0 0 306.450 3.306 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)CCS1 ZINC000736807268 574806840 /nfs/dbraw/zinc/80/68/40/574806840.db2.gz GKQZTPMWSINNIP-LLVKDONJSA-N 0 0 317.410 3.181 20 10 DGCDRN CN(C)c1ccc(C[N@H+](Cc2cc(C(=O)[O-])co2)C2CC2)cc1 ZINC000737379691 574840925 /nfs/dbraw/zinc/84/09/25/574840925.db2.gz YGZXYKKDKDTIRT-UHFFFAOYSA-N 0 0 314.385 3.208 20 10 DGCDRN O=C([O-])[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(Cl)c1 ZINC000739498681 574905063 /nfs/dbraw/zinc/90/50/63/574905063.db2.gz COGXTZCMMVEOPB-INIZCTEOSA-N 0 0 317.772 3.190 20 10 DGCDRN CCOc1ccc([C@@H]2Nc3ccc(C)cc3C(=O)N2C)c(O)c1 ZINC000741257324 574954513 /nfs/dbraw/zinc/95/45/13/574954513.db2.gz ITQJCAFOJFQJDV-QGZVFWFLSA-N 0 0 312.369 3.296 20 10 DGCDRN Fc1ccc(NCc2ccc(N3CCSCC3)cc2)nc1 ZINC000741750299 574968725 /nfs/dbraw/zinc/96/87/25/574968725.db2.gz KXQWZMHHVQQWKW-UHFFFAOYSA-N 0 0 303.406 3.386 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cnc3ccsc3c2)cc1 ZINC000741887355 574975196 /nfs/dbraw/zinc/97/51/96/574975196.db2.gz CQSGUYXUJMIMIT-UHFFFAOYSA-N 0 0 311.410 3.292 20 10 DGCDRN CCN(CC)c1ccc([C@H]2NC3(CCCC3)C(=O)N2C)cc1F ZINC000742438960 575000190 /nfs/dbraw/zinc/00/01/90/575000190.db2.gz HALLVYCJPZIPAK-INIZCTEOSA-N 0 0 319.424 3.045 20 10 DGCDRN CCO[C@@H](CC)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000742469113 575001789 /nfs/dbraw/zinc/00/17/89/575001789.db2.gz YYUHGJHGVHMWBT-KRWDZBQOSA-N 0 0 304.434 3.108 20 10 DGCDRN Cc1ccc([C@@H](C)C(=O)NCCCSc2nccs2)o1 ZINC000742669557 575011933 /nfs/dbraw/zinc/01/19/33/575011933.db2.gz PPCCIBOJZMPOTB-LLVKDONJSA-N 0 0 310.444 3.447 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C/c1ccsc1 ZINC000742952292 575025438 /nfs/dbraw/zinc/02/54/38/575025438.db2.gz KFSQKGFSSQLTCG-ZZXKWVIFSA-N 0 0 314.410 3.253 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CC[C@@H]1CC[C@@H](C)O1 ZINC000743293415 575042243 /nfs/dbraw/zinc/04/22/43/575042243.db2.gz YSNWNTFJLZCCAH-QAPCUYQASA-N 0 0 318.461 3.449 20 10 DGCDRN O=C(CC(F)(F)F)N(Cc1ccco1)Cc1ccccc1O ZINC000743428800 575050824 /nfs/dbraw/zinc/05/08/24/575050824.db2.gz MIFWEENUWLHDQC-UHFFFAOYSA-N 0 0 313.275 3.466 20 10 DGCDRN C[C@H](CNC(=O)C1=CC(=O)CS1)Oc1ccccc1Cl ZINC000743717341 575062256 /nfs/dbraw/zinc/06/22/56/575062256.db2.gz AVEODYRHGXIGHI-SECBINFHSA-N 0 0 311.790 3.304 20 10 DGCDRN CC[C@@](C)(O)CNC(=O)c1sccc1-n1c(C)ccc1C ZINC000743760545 575062924 /nfs/dbraw/zinc/06/29/24/575062924.db2.gz OANGTVVCAAOKDX-MRXNPFEDSA-N 0 0 306.431 3.046 20 10 DGCDRN C[C@H]1CCC[C@H](C)N(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000743810955 575064018 /nfs/dbraw/zinc/06/40/18/575064018.db2.gz HIVWBNALYVBWHJ-GJZGRUSLSA-N 0 0 303.450 3.473 20 10 DGCDRN CC[C@H](OC)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000743928307 575067948 /nfs/dbraw/zinc/06/79/48/575067948.db2.gz ADTBPPDCNSUTIW-SFHVURJKSA-N 0 0 318.461 3.497 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)CSCCC(C)C)c1 ZINC000728981815 575199350 /nfs/dbraw/zinc/19/93/50/575199350.db2.gz FCMJVHNEVQWAHF-GFCCVEGCSA-N 0 0 311.447 3.357 20 10 DGCDRN COc1cccc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000728938969 575196403 /nfs/dbraw/zinc/19/64/03/575196403.db2.gz SPMNATGZGCJYHL-NSHDSACASA-N 0 0 316.357 3.292 20 10 DGCDRN COc1ccc2c(c1)CCCN2CC[S@@](=O)c1ccccc1 ZINC000729470405 575251291 /nfs/dbraw/zinc/25/12/91/575251291.db2.gz MSMUDNJKHGRDNM-JOCHJYFZSA-N 0 0 315.438 3.256 20 10 DGCDRN C[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000729506948 575253564 /nfs/dbraw/zinc/25/35/64/575253564.db2.gz ANKMYEAFTSOXDH-CJNGLKHVSA-N 0 0 301.434 3.057 20 10 DGCDRN Cc1cc(O)c(CN2C[C@@H](C)O[C@H](C(F)(F)F)C2)cc1C ZINC000744442043 575343142 /nfs/dbraw/zinc/34/31/42/575343142.db2.gz DDQKJZDCSDZIMI-RISCZKNCSA-N 0 0 303.324 3.161 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000744635795 575350823 /nfs/dbraw/zinc/35/08/23/575350823.db2.gz VNBSCYIGMYDPRJ-HDICACEKSA-N 0 0 310.397 3.098 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCO[C@H](C)C1 ZINC000745422183 575395610 /nfs/dbraw/zinc/39/56/10/575395610.db2.gz BXCLIJYRUCWTCH-MRXNPFEDSA-N 0 0 312.413 3.263 20 10 DGCDRN COc1cccc(CNC(=O)N[C@H](C)c2ccc(C)s2)c1O ZINC000745738941 575414912 /nfs/dbraw/zinc/41/49/12/575414912.db2.gz XCVUGZFUFCFKSY-LLVKDONJSA-N 0 0 320.414 3.331 20 10 DGCDRN CSCCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000745795079 575417620 /nfs/dbraw/zinc/41/76/20/575417620.db2.gz BVRBFVWFTSDWJW-UHFFFAOYSA-N 0 0 309.479 3.036 20 10 DGCDRN CC[C@H]1C[C@H](C)CN1C(=O)NCc1ccc(N(C)C)cc1C ZINC000745828748 575419374 /nfs/dbraw/zinc/41/93/74/575419374.db2.gz VCCRAYAUWOVVQE-BBRMVZONSA-N 0 0 303.450 3.391 20 10 DGCDRN CCN(CC(=O)NCc1sccc1C)c1ccc(OC)cc1 ZINC000746107854 575432588 /nfs/dbraw/zinc/43/25/88/575432588.db2.gz RZYHBELXUISNBF-UHFFFAOYSA-N 0 0 318.442 3.208 20 10 DGCDRN CCN(Cc1cc(C)c(C(=O)OC)o1)c1ccc(OC)cc1 ZINC000746109246 575433190 /nfs/dbraw/zinc/43/31/90/575433190.db2.gz MZIFCXAXDCMXIX-UHFFFAOYSA-N 0 0 303.358 3.410 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1N ZINC000746314024 575445117 /nfs/dbraw/zinc/44/51/17/575445117.db2.gz JNBLBMKKXPWODD-UHFFFAOYSA-N 0 0 309.413 3.107 20 10 DGCDRN COc1cccc(O)c1CNc1cccc(NC(=O)C2CC2)c1 ZINC000746715026 575471923 /nfs/dbraw/zinc/47/19/23/575471923.db2.gz UTIBWFDJWIUXOR-UHFFFAOYSA-N 0 0 312.369 3.361 20 10 DGCDRN Cc1ccccc1CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000746985429 575488212 /nfs/dbraw/zinc/48/82/12/575488212.db2.gz ONPCNZDPTABKSZ-UHFFFAOYSA-N 0 0 323.440 3.377 20 10 DGCDRN CN1CCCc2cc(CNC(=O)NCC3CCCCC3)ccc21 ZINC000746981478 575488229 /nfs/dbraw/zinc/48/82/29/575488229.db2.gz SSRQJDVNPAMFOA-UHFFFAOYSA-N 0 0 315.461 3.449 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2C[C@H](C)CC2(C)C)c([N+](=O)[O-])c1 ZINC000747227044 575507352 /nfs/dbraw/zinc/50/73/52/575507352.db2.gz WPKYKDFBNDSUPW-XYLWRLHESA-N 0 0 318.373 3.406 20 10 DGCDRN COCCNC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000747354720 575514109 /nfs/dbraw/zinc/51/41/09/575514109.db2.gz PGBAPQYFLCUXLY-UHFFFAOYSA-N 0 0 320.820 3.053 20 10 DGCDRN CN(Cc1nc2c(s1)CCCC2)C(=O)C1=CC(=O)CS1 ZINC000747522741 575522693 /nfs/dbraw/zinc/52/26/93/575522693.db2.gz RPVLVJGLTWLVFE-UHFFFAOYSA-N 0 0 308.428 3.061 20 10 DGCDRN COc1ccc(N(Cc2nsc(N(C)C)n2)CC(C)C)cc1 ZINC000747682457 575532606 /nfs/dbraw/zinc/53/26/06/575532606.db2.gz LFCXDKOKNLKKIM-UHFFFAOYSA-N 0 0 320.462 3.275 20 10 DGCDRN COc1cccc(CNC(=S)Nc2ccc3c(c2)CCC3)n1 ZINC000748044589 575558305 /nfs/dbraw/zinc/55/83/05/575558305.db2.gz HKRMXBRKXVQIGK-UHFFFAOYSA-N 0 0 313.426 3.066 20 10 DGCDRN Oc1cc2c(cc1CNc1ccc(OCC(F)F)cc1)OCO2 ZINC000748238468 575573983 /nfs/dbraw/zinc/57/39/83/575573983.db2.gz KXCLUFHOFHYWMU-UHFFFAOYSA-N 0 0 323.295 3.377 20 10 DGCDRN CCO[C@@H]1C[C@@H](NC(=O)C2=CC(=O)CS2)C12CCCCC2 ZINC000748339398 575581467 /nfs/dbraw/zinc/58/14/67/575581467.db2.gz NKVDHRUSEKSYFL-ZIAGYGMSSA-N 0 0 309.431 3.311 20 10 DGCDRN CC(C)Oc1ncc(C(=O)NCc2ccccc2O)cc1Cl ZINC000748345088 575581580 /nfs/dbraw/zinc/58/15/80/575581580.db2.gz HXLLOVUBKJEKOO-UHFFFAOYSA-N 0 0 320.776 3.158 20 10 DGCDRN O=C(NCc1ccccc1O)c1csc(-c2ccccc2)n1 ZINC000748353184 575582281 /nfs/dbraw/zinc/58/22/81/575582281.db2.gz NFBILVYDNDNUBW-UHFFFAOYSA-N 0 0 310.378 3.446 20 10 DGCDRN O=C(Nc1cccc(Oc2cccnn2)c1)C1=CC(=O)CS1 ZINC000748350568 575582461 /nfs/dbraw/zinc/58/24/61/575582461.db2.gz NDAHBJSHLLLZOL-UHFFFAOYSA-N 0 0 313.338 3.288 20 10 DGCDRN O=C(CSCc1ccc(F)cc1)NCc1ccccc1O ZINC000748354159 575582808 /nfs/dbraw/zinc/58/28/08/575582808.db2.gz FVNUECJBYJAKQI-UHFFFAOYSA-N 0 0 305.374 3.081 20 10 DGCDRN CCCCCc1nnc(NC(=O)NCc2ccccc2O)s1 ZINC000748438638 575586524 /nfs/dbraw/zinc/58/65/24/575586524.db2.gz OWRJJRFFIKJJPA-UHFFFAOYSA-N 0 0 320.418 3.298 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1cccc(N2CCCC2)c1 ZINC000748460855 575588597 /nfs/dbraw/zinc/58/85/97/575588597.db2.gz RJULIIKOIOKLPL-UHFFFAOYSA-N 0 0 311.385 3.314 20 10 DGCDRN O=C(NCc1cc(-c2ccccc2)no1)NCc1ccccc1O ZINC000748460912 575588716 /nfs/dbraw/zinc/58/87/16/575588716.db2.gz SCGRRYXVPIWMDH-UHFFFAOYSA-N 0 0 323.352 3.047 20 10 DGCDRN CO[C@@H](C)CC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000749565470 575665105 /nfs/dbraw/zinc/66/51/05/575665105.db2.gz RQDPYDDPFRRTDA-HNNXBMFYSA-N 0 0 314.429 3.178 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1nnc(C)o1 ZINC000749574267 575665730 /nfs/dbraw/zinc/66/57/30/575665730.db2.gz SEYFFOAHTBMBPZ-UHFFFAOYSA-N 0 0 324.384 3.024 20 10 DGCDRN c1nn(-c2ccccc2)nc1COc1ccc(N2CCCC2)cc1 ZINC000749795841 575678967 /nfs/dbraw/zinc/67/89/67/575678967.db2.gz JIXZDPWKYABVEG-UHFFFAOYSA-N 0 0 320.396 3.447 20 10 DGCDRN CC(C)(C)c1cc(O)c(O)c(CN2CCC[C@H]2c2ncon2)c1 ZINC000750020193 575697969 /nfs/dbraw/zinc/69/79/69/575697969.db2.gz XJHHKSCYRVLREW-ZDUSSCGKSA-N 0 0 317.389 3.115 20 10 DGCDRN CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])C[C@H]1CCOC1 ZINC000750046906 575699904 /nfs/dbraw/zinc/69/99/04/575699904.db2.gz IDTFCHDYJPDUPO-GFCCVEGCSA-N 0 0 311.809 3.107 20 10 DGCDRN CSCCC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000751303123 575779345 /nfs/dbraw/zinc/77/93/45/575779345.db2.gz UVNBKVHJLYZWPQ-UHFFFAOYSA-N 0 0 312.398 3.088 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1ccco1 ZINC000751308282 575779520 /nfs/dbraw/zinc/77/95/20/575779520.db2.gz UYYKUASEXANUMZ-UHFFFAOYSA-N 0 0 304.309 3.242 20 10 DGCDRN O=C(CC(F)(F)F)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000751302124 575779713 /nfs/dbraw/zinc/77/97/13/575779713.db2.gz JDZMXOZHKJDCKI-UHFFFAOYSA-N 0 0 320.274 3.287 20 10 DGCDRN CN1CCc2cc(/C=C3/N=C(c4cccc(F)c4)OC3=O)ccc21 ZINC000751524678 575788424 /nfs/dbraw/zinc/78/84/24/575788424.db2.gz XKHDLWSZWMEYTQ-MHWRWJLKSA-N 0 0 322.339 3.163 20 10 DGCDRN CC[C@H](C)OCC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000751569501 575790954 /nfs/dbraw/zinc/79/09/54/575790954.db2.gz TVZFJOSHSWVZEK-HNNXBMFYSA-N 0 0 306.450 3.306 20 10 DGCDRN CC(C)(C)C(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000752086185 575821927 /nfs/dbraw/zinc/82/19/27/575821927.db2.gz HBTWXETWAGHUID-UHFFFAOYSA-N 0 0 315.369 3.129 20 10 DGCDRN C[C@@H](CC(=O)NCc1ccccc1O)c1ccc(F)cc1F ZINC000752128841 575824353 /nfs/dbraw/zinc/82/43/53/575824353.db2.gz GLBALMZIUUOKMG-NSHDSACASA-N 0 0 305.324 3.480 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCC2(C3CC3)CCC2)cc1F ZINC000752211589 575826348 /nfs/dbraw/zinc/82/63/48/575826348.db2.gz CHGDVYGWKDADRI-UHFFFAOYSA-N 0 0 319.424 3.271 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccncc1Cl ZINC000744515231 575937741 /nfs/dbraw/zinc/93/77/41/575937741.db2.gz ZRIVGLXSMTZQKP-UHFFFAOYSA-N 0 0 303.793 3.039 20 10 DGCDRN Cc1cnc(COC(=O)c2sc3nc(C)cc(C)c3c2N)o1 ZINC000744576107 575938276 /nfs/dbraw/zinc/93/82/76/575938276.db2.gz LMUFJPHYIVENAF-UHFFFAOYSA-N 0 0 317.370 3.149 20 10 DGCDRN CSCCNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000726278451 576015133 /nfs/dbraw/zinc/01/51/33/576015133.db2.gz HGBXRKICVVVYNH-UHFFFAOYSA-N 0 0 321.490 3.181 20 10 DGCDRN Cc1cccc(CC(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000726755738 576039476 /nfs/dbraw/zinc/03/94/76/576039476.db2.gz GZWNWERGGSZJGX-UHFFFAOYSA-N 0 0 308.425 3.236 20 10 DGCDRN CC(C)Oc1ccc(NC(=S)NCc2cccc(F)n2)cc1 ZINC000747722597 576042667 /nfs/dbraw/zinc/04/26/67/576042667.db2.gz UAYBNOLLAGHHPD-UHFFFAOYSA-N 0 0 319.405 3.495 20 10 DGCDRN CCN(C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(C)C ZINC000727239743 576115067 /nfs/dbraw/zinc/11/50/67/576115067.db2.gz LTJQFSCHURIGFV-HNNXBMFYSA-N 0 0 319.449 3.024 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2c(C)noc2C)cc1 ZINC000728223247 576169670 /nfs/dbraw/zinc/16/96/70/576169670.db2.gz XKJOBFZLZBDJQK-UHFFFAOYSA-N 0 0 315.417 3.410 20 10 DGCDRN CCCc1nc(COC(=O)c2ccc(C)c(O)c2O)cs1 ZINC000728344414 576177711 /nfs/dbraw/zinc/17/77/11/576177711.db2.gz JTUHLPAEITXRAW-UHFFFAOYSA-N 0 0 307.371 3.172 20 10 DGCDRN CN1CCc2cc(/C=C3/SC(=S)N(C4CC4)C3=O)ccc21 ZINC000751527506 576206043 /nfs/dbraw/zinc/20/60/43/576206043.db2.gz WNIUZXOFTDYLHB-NTEUORMPSA-N 0 0 316.451 3.043 20 10 DGCDRN Cc1ccccc1CCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000728820143 576210158 /nfs/dbraw/zinc/21/01/58/576210158.db2.gz AQHSHRXRIVKHRS-UHFFFAOYSA-N 0 0 314.404 3.449 20 10 DGCDRN CCN(CC)c1ccc(CNc2cccnc2[N+](=O)[O-])cc1 ZINC000917085149 620655692 /nfs/dbraw/zinc/65/56/92/620655692.db2.gz BVUZVNOIIRNXLV-UHFFFAOYSA-N 0 0 300.362 3.448 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H](CO)c1ccsc1 ZINC000770668163 620890882 /nfs/dbraw/zinc/89/08/82/620890882.db2.gz KLLNJAWBLGKZHS-LBPRGKRZSA-N 0 0 301.770 3.069 20 10 DGCDRN Cc1cc(C(=O)Cn2ccccc2=O)c(C)n1-c1cccc(C)c1 ZINC000917392668 620666462 /nfs/dbraw/zinc/66/64/62/620666462.db2.gz KHZDTNZMPKSFBQ-UHFFFAOYSA-N 0 0 320.392 3.447 20 10 DGCDRN CC1CCC(O)(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000853092284 620667319 /nfs/dbraw/zinc/66/73/19/620667319.db2.gz JDJIPYDELNTPSN-UHFFFAOYSA-N 0 0 301.789 3.216 20 10 DGCDRN Oc1cc2c(cc1CN1CCCc3cc(F)cc(F)c31)OCO2 ZINC000917440315 620668858 /nfs/dbraw/zinc/66/88/58/620668858.db2.gz RGAIAMURHPBKBM-UHFFFAOYSA-N 0 0 319.307 3.352 20 10 DGCDRN O=C(CSc1c(F)cc(F)cc1F)c1ccc(O)c(O)c1 ZINC000917440060 620668997 /nfs/dbraw/zinc/66/89/97/620668997.db2.gz KZCJBADHKKIRKB-UHFFFAOYSA-N 0 0 314.284 3.490 20 10 DGCDRN O=C([O-])[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc(Cl)ccc1O ZINC000315901359 604465612 /nfs/dbraw/zinc/46/56/12/604465612.db2.gz NIACTNSDRCKMHC-HNNXBMFYSA-N 0 0 317.772 3.057 20 10 DGCDRN CCOc1cccc(C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1O ZINC000390164245 604681688 /nfs/dbraw/zinc/68/16/88/604681688.db2.gz MRBZBIBDCOYGPO-QEJZJMRPSA-N 0 0 319.401 3.009 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc(F)cc(F)c1[O-] ZINC000853242055 620681573 /nfs/dbraw/zinc/68/15/73/620681573.db2.gz ZUPRWVGLYZETHW-JSGCOSHPSA-N 0 0 324.415 3.443 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cc1[O-] ZINC000853241018 620681376 /nfs/dbraw/zinc/68/13/76/620681376.db2.gz RRVLWYWWCOLOOO-UKRRQHHQSA-N 0 0 306.425 3.304 20 10 DGCDRN Cc1cc(C(=O)OCc2nccs2)c(C)n1-c1ccccn1 ZINC000917953461 620688617 /nfs/dbraw/zinc/68/86/17/620688617.db2.gz UPJCXYFORWEVQL-UHFFFAOYSA-N 0 0 313.382 3.303 20 10 DGCDRN CCc1nn(CN(C)Cc2ccc(N(C)C)cc2)c(=S)s1 ZINC000853489054 620700737 /nfs/dbraw/zinc/70/07/37/620700737.db2.gz YSOXMOVNJLLIRY-UHFFFAOYSA-N 0 0 322.503 3.392 20 10 DGCDRN COc1ccc(N2CC[C@@H](Nc3nc(C)c(C)s3)C2)cc1 ZINC000853758921 620734417 /nfs/dbraw/zinc/73/44/17/620734417.db2.gz MYKPRGHZAMRSAI-CYBMUJFWSA-N 0 0 303.431 3.459 20 10 DGCDRN Cc1cc(C(=O)Cn2cnc(C)n2)c(C)n1-c1ccccc1C ZINC000853718459 620728941 /nfs/dbraw/zinc/72/89/41/620728941.db2.gz KAOVKXJLBANPLJ-UHFFFAOYSA-N 0 0 308.385 3.185 20 10 DGCDRN COc1ccc(N2CC[C@@H](Nc3cccc(Cl)n3)C2)cc1 ZINC000853758822 620734440 /nfs/dbraw/zinc/73/44/40/620734440.db2.gz KVRDIFADDCPMKN-GFCCVEGCSA-N 0 0 303.793 3.434 20 10 DGCDRN CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000806160476 617619670 /nfs/dbraw/zinc/61/96/70/617619670.db2.gz SASKNTTXHBQXFI-SOUVJXGZSA-N 0 0 313.825 3.280 20 10 DGCDRN C/C(=C\c1cccnc1)C(=O)N1CC2(CC2)Oc2ccccc21 ZINC000890618673 617626716 /nfs/dbraw/zinc/62/67/16/617626716.db2.gz WYWYORNNFWJSGN-SDNWHVSQSA-N 0 0 306.365 3.443 20 10 DGCDRN CCc1nc(C)c(C(=O)NCc2cccc(Cl)c2O)s1 ZINC000890758343 617656367 /nfs/dbraw/zinc/65/63/67/617656367.db2.gz VXYWQBUVZPKERJ-UHFFFAOYSA-N 0 0 310.806 3.303 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1coc(C2CCC2)n1 ZINC000890760060 617656394 /nfs/dbraw/zinc/65/63/94/617656394.db2.gz ZODISQGJARQMHQ-UHFFFAOYSA-N 0 0 306.749 3.231 20 10 DGCDRN CCC[C@H]1C[C@@H](C(=O)NCc2cccc(Cl)c2O)CCO1 ZINC000890759719 617656400 /nfs/dbraw/zinc/65/64/00/617656400.db2.gz PFEITYYMZVZFEO-AAEUAGOBSA-N 0 0 311.809 3.257 20 10 DGCDRN C[C@@H]1C(=O)CC[C@@H](C(=O)NCc2cccc(Cl)c2O)C1(C)C ZINC000890760050 617656445 /nfs/dbraw/zinc/65/64/45/617656445.db2.gz ZJXDDPGJXDHBSQ-PWSUYJOCSA-N 0 0 323.820 3.303 20 10 DGCDRN CC(C)(C)c1ncc(C(=O)NCc2cccc(Cl)c2O)cn1 ZINC000890759245 617656455 /nfs/dbraw/zinc/65/64/55/617656455.db2.gz IJYPUJFXAYSBCD-UHFFFAOYSA-N 0 0 319.792 3.063 20 10 DGCDRN CC(C)Nc1ccc(C(=O)NCc2cccc(Cl)c2O)cn1 ZINC000890759870 617656921 /nfs/dbraw/zinc/65/69/21/617656921.db2.gz TVZNHHIXEOKRET-UHFFFAOYSA-N 0 0 319.792 3.191 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1ccnn1C1CCCC1 ZINC000890760262 617657030 /nfs/dbraw/zinc/65/70/30/617657030.db2.gz MLKZQLQVUZIGPI-UHFFFAOYSA-N 0 0 319.792 3.287 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)C12CC(C(F)(F)F)(C1)C2 ZINC000890759973 617657305 /nfs/dbraw/zinc/65/73/05/617657305.db2.gz XPJXVVHPEYKERW-UHFFFAOYSA-N 0 0 319.710 3.394 20 10 DGCDRN CC(C)(C)C(=O)CCCC(=O)NCc1cccc(Cl)c1O ZINC000890761425 617657332 /nfs/dbraw/zinc/65/73/32/617657332.db2.gz RGMSXFFEWIAEFV-UHFFFAOYSA-N 0 0 311.809 3.447 20 10 DGCDRN CCn1ncc(C(=O)NCc2cccc(Cl)c2O)c1C1CC1 ZINC000890763348 617658997 /nfs/dbraw/zinc/65/89/97/617658997.db2.gz STQWHVTUVYNUSY-UHFFFAOYSA-N 0 0 319.792 3.069 20 10 DGCDRN O=C(NCc1cc(Br)ccc1O)[C@@H]1CC12CCCC2 ZINC000804738783 617662390 /nfs/dbraw/zinc/66/23/90/617662390.db2.gz DLASIRMZFYXADI-LBPRGKRZSA-N 0 0 324.218 3.351 20 10 DGCDRN O=C(CCC1CCC1)NCc1cc(Br)ccc1O ZINC000804737920 617662487 /nfs/dbraw/zinc/66/24/87/617662487.db2.gz VICSYYKNSLURKJ-UHFFFAOYSA-N 0 0 312.207 3.351 20 10 DGCDRN CCc1ccccc1NC(=S)NNc1ccccc1[N+](=O)[O-] ZINC000007351005 617669119 /nfs/dbraw/zinc/66/91/19/617669119.db2.gz GNDKPKDEOWIUGW-UHFFFAOYSA-N 0 0 316.386 3.471 20 10 DGCDRN CC(=O)c1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000023745033 617757360 /nfs/dbraw/zinc/75/73/60/617757360.db2.gz XVISNMOQCUHYHZ-UHFFFAOYSA-N 0 0 316.426 3.289 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000892004340 617943058 /nfs/dbraw/zinc/94/30/58/617943058.db2.gz HTUXEPJANKFWRL-RYQLBKOJSA-N 0 0 313.445 3.275 20 10 DGCDRN COc1cccc(CNC(=O)NCc2c(C)cccc2C)c1O ZINC000124934347 618028797 /nfs/dbraw/zinc/02/87/97/618028797.db2.gz RYWGLZKZOWQGND-UHFFFAOYSA-N 0 0 314.385 3.017 20 10 DGCDRN CC[C@@H]1CCC[C@H](NC(=O)NCc2cc(OC)ccc2O)C1 ZINC000155126227 620771059 /nfs/dbraw/zinc/77/10/59/620771059.db2.gz HUANMHULUQJYAR-OCCSQVGLSA-N 0 0 306.406 3.169 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=S)NC1CCC1 ZINC000840868505 618039746 /nfs/dbraw/zinc/03/97/46/618039746.db2.gz GLLIHPQCNDHRQN-CYBMUJFWSA-N 0 0 305.491 3.009 20 10 DGCDRN C[C@H]([NH2+]CC(C)(C)OCC1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840877411 618057300 /nfs/dbraw/zinc/05/73/00/618057300.db2.gz WJOUFKWSBNTNBY-NSHDSACASA-N 0 0 308.378 3.156 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CNCC[C@@H]1c1ccccc1)c1ccc(F)cc1[O-] ZINC000854222709 620785653 /nfs/dbraw/zinc/78/56/53/620785653.db2.gz KBTPQESXOYLOFD-MORSLUCNSA-N 0 0 314.404 3.328 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000854227207 620786428 /nfs/dbraw/zinc/78/64/28/620786428.db2.gz UIGSXWLWWPLQDF-QFYYESIMSA-N 0 0 313.357 3.221 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1COC(C)(C)C1 ZINC000854254692 620788582 /nfs/dbraw/zinc/78/85/82/620788582.db2.gz IRNGBWQVEQKBEA-HNNXBMFYSA-N 0 0 320.433 3.271 20 10 DGCDRN C[C@H]1CCCC[C@@H]1CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000920232373 620790308 /nfs/dbraw/zinc/79/03/08/620790308.db2.gz QAHMDRZPPPVPNH-GOEBONIOSA-N 0 0 303.450 3.378 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C(C)(C)CC(F)(F)F)cc1 ZINC000854271653 620790657 /nfs/dbraw/zinc/79/06/57/620790657.db2.gz OOMGEPXESOYDTK-UHFFFAOYSA-N 0 0 302.340 3.347 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CCc2cccnc2Cl)cc1 ZINC000854271486 620790897 /nfs/dbraw/zinc/79/08/97/620790897.db2.gz JAOOBMQSEMWQOY-UHFFFAOYSA-N 0 0 317.820 3.050 20 10 DGCDRN O=C([O-])[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)C1CCC1 ZINC000854245347 620787727 /nfs/dbraw/zinc/78/77/27/620787727.db2.gz JHPIMQFYQRYDIP-GOSISDBHSA-N 0 0 316.445 3.267 20 10 DGCDRN COc1cccc(CNCc2csc(C(F)(F)F)n2)c1O ZINC000894457718 618338014 /nfs/dbraw/zinc/33/80/14/618338014.db2.gz HEAMZGZTPJMFKH-UHFFFAOYSA-N 0 0 318.320 3.166 20 10 DGCDRN O=C(NCc1cc(Br)ccc1O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000854442934 620804532 /nfs/dbraw/zinc/80/45/32/620804532.db2.gz ZJCJFIOQJKLGJK-ZWKOPEQDSA-N 0 0 324.218 3.207 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC=C(Cl)C1 ZINC000893135130 618440460 /nfs/dbraw/zinc/44/04/60/618440460.db2.gz KXYADPWXQJQINK-UHFFFAOYSA-N 0 0 317.820 3.101 20 10 DGCDRN CCOCc1nc(Cl)cc(NCc2cc(C)ccc2O)n1 ZINC000894725040 618442234 /nfs/dbraw/zinc/44/22/34/618442234.db2.gz DVASQDJXUVYIQW-UHFFFAOYSA-N 0 0 307.781 3.293 20 10 DGCDRN O=C(NCCC1(F)CCC1)NCc1cccc(Cl)c1O ZINC000894848350 618475409 /nfs/dbraw/zinc/47/54/09/618475409.db2.gz NBVBTTIFYFKOKS-UHFFFAOYSA-N 0 0 300.761 3.127 20 10 DGCDRN CC[N@H+](Cc1cc(Cl)cc(Br)c1[O-])[C@@H](C)CO ZINC000894862915 618482294 /nfs/dbraw/zinc/48/22/94/618482294.db2.gz NFAJGQKOGVTJLV-QMMMGPOBSA-N 0 0 322.630 3.011 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C)OCC2CC2)cc1 ZINC000920773249 620822198 /nfs/dbraw/zinc/82/21/98/620822198.db2.gz LNQHIBJBPWUYOK-OAHLLOKOSA-N 0 0 318.461 3.306 20 10 DGCDRN COc1cc(N(C)Cc2cnc(F)c(C)c2)cc(OC)c1OC ZINC000893460491 618562962 /nfs/dbraw/zinc/56/29/62/618562962.db2.gz FWQSLPQSSVDVBA-UHFFFAOYSA-N 0 0 320.364 3.191 20 10 DGCDRN COc1ccc(CNc2cc3c(cc2C)OCO3)c(O)c1OC ZINC000893481355 618568555 /nfs/dbraw/zinc/56/85/55/618568555.db2.gz VLNAPLWMLUTGIT-UHFFFAOYSA-N 0 0 317.341 3.059 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000895280738 618586196 /nfs/dbraw/zinc/58/61/96/618586196.db2.gz ZSWVOFIGTMJENT-BLLLJJGKSA-N 0 0 311.372 3.452 20 10 DGCDRN Cc1ccc(CN2CCCc3cc(OC(F)F)ccc32)nn1 ZINC000840939091 618611108 /nfs/dbraw/zinc/61/11/08/618611108.db2.gz JWQWWPUJZUVQNY-UHFFFAOYSA-N 0 0 305.328 3.339 20 10 DGCDRN COc1ccc(CN2CCc3c2cccc3F)c(O)c1OC ZINC000893615982 618617296 /nfs/dbraw/zinc/61/72/96/618617296.db2.gz VRBFVJLVGHTKGI-UHFFFAOYSA-N 0 0 303.333 3.111 20 10 DGCDRN C[C@@H]([NH2+]C[C@]1(C(F)(F)F)CCCN1)c1cc(F)cc(F)c1[O-] ZINC000925856031 618646935 /nfs/dbraw/zinc/64/69/35/618646935.db2.gz PUKKWDVVNCSFOR-OQPBUACISA-N 0 0 324.293 3.006 20 10 DGCDRN COc1cc(C[N@H+](C)Cc2cc(F)cc(F)c2[O-])ccc1O ZINC000893918337 618676193 /nfs/dbraw/zinc/67/61/93/618676193.db2.gz ATINBTMTPJMOIQ-UHFFFAOYSA-N 0 0 309.312 3.017 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000894096674 618709241 /nfs/dbraw/zinc/70/92/41/618709241.db2.gz WEBMHVWOZDPGJI-DZGCQCFKSA-N 0 0 323.339 3.352 20 10 DGCDRN Cc1ncc(CC[NH2+]Cc2c([O-])ccc(Cl)c2F)s1 ZINC000790982856 618731638 /nfs/dbraw/zinc/73/16/38/618731638.db2.gz KYXNJNAGZWFGSL-UHFFFAOYSA-N 0 0 300.786 3.282 20 10 DGCDRN CC1([NH+]2CCCC2)CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000895438611 618784846 /nfs/dbraw/zinc/78/48/46/618784846.db2.gz HIEDZFVEWNFNFP-UHFFFAOYSA-N 0 0 310.388 3.121 20 10 DGCDRN COC(=O)c1cc(CN2Cc3cccc(O)c3C2)[nH]c1C(C)C ZINC000895450010 618786299 /nfs/dbraw/zinc/78/62/99/618786299.db2.gz RRRKPPPQTCWFIL-UHFFFAOYSA-N 0 0 314.385 3.146 20 10 DGCDRN C[C@@H]1C[C@@H](C)CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000895464937 618788351 /nfs/dbraw/zinc/78/83/51/618788351.db2.gz KVCQORIEYQZOMS-NXEZZACHSA-N 0 0 305.399 3.431 20 10 DGCDRN Cc1ccc(O)c(CNCc2csc(C(F)(F)F)n2)c1 ZINC000895579634 618803855 /nfs/dbraw/zinc/80/38/55/618803855.db2.gz BSGMZERVLZGAMB-UHFFFAOYSA-N 0 0 302.321 3.466 20 10 DGCDRN C[C@]1(C[NH2+]Cc2ccc(F)c(F)c2[O-])OCCc2ccccc21 ZINC000895640494 618811803 /nfs/dbraw/zinc/81/18/03/618811803.db2.gz UXHMAGGFHVCUEH-GOSISDBHSA-N 0 0 319.351 3.248 20 10 DGCDRN COC1(OC)CC2(C[N@H+](Cc3ccccc3O)[C@@H]2C(C)C)C1 ZINC000895994041 618859970 /nfs/dbraw/zinc/85/99/70/618859970.db2.gz BKMFQVQYUZSUGY-MRXNPFEDSA-N 0 0 305.418 3.002 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2C[C@H]3CC[C@@H](C2)S3)c1 ZINC000896164870 618880447 /nfs/dbraw/zinc/88/04/47/618880447.db2.gz UDHCPAYCBIUKLO-WDFAYWTNSA-N 0 0 321.442 3.252 20 10 DGCDRN CCCC[C@H](COC)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896454334 618913241 /nfs/dbraw/zinc/91/32/41/618913241.db2.gz QCNNHSVDTWWWIJ-LLVKDONJSA-N 0 0 323.414 3.248 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H](CO)CCc1ccccc1 ZINC000896525260 618925313 /nfs/dbraw/zinc/92/53/13/618925313.db2.gz ZTWDNODMZLXZDQ-OAHLLOKOSA-N 0 0 305.805 3.129 20 10 DGCDRN C[C@@](O)(C[NH2+]Cc1cccc(Cl)c1[O-])c1cccc(F)c1 ZINC000896563694 618928845 /nfs/dbraw/zinc/92/88/45/618928845.db2.gz LDANZODIEBJGDQ-MRXNPFEDSA-N 0 0 309.768 3.182 20 10 DGCDRN CN(C)[C@H](CC[NH2+]Cc1cccc(Cl)c1[O-])C(F)(F)F ZINC000896877862 618974055 /nfs/dbraw/zinc/97/40/55/618974055.db2.gz FWVDKPGUPQEEMD-LLVKDONJSA-N 0 0 310.747 3.018 20 10 DGCDRN Oc1cccc(Cl)c1CN1CCn2nc(C3CC3)cc2C1 ZINC000896939167 618989755 /nfs/dbraw/zinc/98/97/55/618989755.db2.gz AHTQNPAYCKMZLI-UHFFFAOYSA-N 0 0 303.793 3.135 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000897081073 619011779 /nfs/dbraw/zinc/01/17/79/619011779.db2.gz JHTAVQXNUCXNCD-BDJLRTHQSA-N 0 0 313.800 3.480 20 10 DGCDRN C[C@H](NC(=O)NCC[C@H]1CCC(C)(C)CO1)c1ccccc1O ZINC000897094059 619015115 /nfs/dbraw/zinc/01/51/15/619015115.db2.gz GOWCGSUWSIOFRJ-UONOGXRCSA-N 0 0 320.433 3.348 20 10 DGCDRN CCOc1ccc(N(C)Cc2c(Cl)ncnc2N(C)C)cc1 ZINC000788020523 619031793 /nfs/dbraw/zinc/03/17/93/619031793.db2.gz PYNVIMTUZJFUJW-UHFFFAOYSA-N 0 0 320.824 3.231 20 10 DGCDRN [O-]c1c(C[NH2+]C[C@@]2(c3ccccc3)CCCO2)ccc(F)c1F ZINC000897233294 619034040 /nfs/dbraw/zinc/03/40/40/619034040.db2.gz KXONDRNCZBNOKE-GOSISDBHSA-N 0 0 319.351 3.466 20 10 DGCDRN [O-]c1c(C[N@@H+]2CCC[C@H](C3CCOCC3)C2)ccc(F)c1F ZINC000897270872 619040382 /nfs/dbraw/zinc/04/03/82/619040382.db2.gz CTWYARUWNZYCPV-ZDUSSCGKSA-N 0 0 311.372 3.309 20 10 DGCDRN Cc1ccc(C(=O)NCc2c(O)cccc2F)c(C2CC2)n1 ZINC000928705546 619058862 /nfs/dbraw/zinc/05/88/62/619058862.db2.gz JPHDSHWGTMXAQM-UHFFFAOYSA-N 0 0 300.333 3.042 20 10 DGCDRN Nc1ccc(OCc2cn(CC3CCCCCC3)nn2)cc1 ZINC000881316477 625324297 /nfs/dbraw/zinc/32/42/97/625324297.db2.gz CQHVOOUGKVZTMQ-UHFFFAOYSA-N 0 0 300.406 3.410 20 10 DGCDRN CCOc1cccc(CNCc2nc(C(C)(C)C)co2)c1O ZINC000897944271 619197537 /nfs/dbraw/zinc/19/75/37/619197537.db2.gz DBYWVWOBBOFKAJ-UHFFFAOYSA-N 0 0 304.390 3.366 20 10 DGCDRN Cc1cc(O)c(CNc2ccnn2[C@@H]2CCCOC2)cc1C ZINC000898094449 619211952 /nfs/dbraw/zinc/21/19/52/619211952.db2.gz BEDRSYQIKRFAAI-OAHLLOKOSA-N 0 0 301.390 3.169 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)ccc(F)c1F ZINC000898069662 619212276 /nfs/dbraw/zinc/21/22/76/619212276.db2.gz ZRYDYBIOWFDEJO-JTQLQIEISA-N 0 0 310.369 3.192 20 10 DGCDRN Cc1nn2c(nc(C)c2C[NH2+]Cc2cccc(Cl)c2[O-])s1 ZINC000898219102 619222682 /nfs/dbraw/zinc/22/26/82/619222682.db2.gz VCBLSUMQMJPBHI-UHFFFAOYSA-N 0 0 322.821 3.056 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000898219573 619222900 /nfs/dbraw/zinc/22/29/00/619222900.db2.gz ZUGWCJWEKWSLPT-KOLCDFICSA-N 0 0 309.715 3.245 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000898219572 619222977 /nfs/dbraw/zinc/22/29/77/619222977.db2.gz ZUGWCJWEKWSLPT-GXSJLCMTSA-N 0 0 309.715 3.245 20 10 DGCDRN C[C@@H](NC(=O)NCc1nc(C(C)(C)C)co1)c1ccccc1O ZINC000898234843 619226880 /nfs/dbraw/zinc/22/68/80/619226880.db2.gz REHKVFLGRWBFBS-LLVKDONJSA-N 0 0 317.389 3.238 20 10 DGCDRN CCO[C@@H](C[NH2+][C@@H](CC)c1cccc(Cl)c1[O-])CN(C)C ZINC000926962609 619253257 /nfs/dbraw/zinc/25/32/57/619253257.db2.gz RASLHIDZSKWTER-WFASDCNBSA-N 0 0 314.857 3.053 20 10 DGCDRN COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000898481760 619278433 /nfs/dbraw/zinc/27/84/33/619278433.db2.gz VBHWMKWAWKSDIB-SKDRFNHKSA-N 0 0 315.772 3.006 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000898511640 619281830 /nfs/dbraw/zinc/28/18/30/619281830.db2.gz CZUGGZJAAHAJSD-OLZOCXBDSA-N 0 0 311.372 3.309 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCC[C@H]1CCC(F)(F)C1 ZINC000898511168 619282064 /nfs/dbraw/zinc/28/20/64/619282064.db2.gz AARQHLGXSWKGGU-GFCCVEGCSA-N 0 0 312.360 3.359 20 10 DGCDRN C[C@@H](NC(=O)NC[C@H]1CCCC(C)(C)O1)c1ccccc1O ZINC000898638075 619288724 /nfs/dbraw/zinc/28/87/24/619288724.db2.gz XMCCNXWJIBRLQJ-CHWSQXEVSA-N 0 0 306.406 3.100 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC/C=C/Cl ZINC000899050407 619310030 /nfs/dbraw/zinc/31/00/30/619310030.db2.gz BZSBEUAZLLMIFO-BJMVGYQFSA-N 0 0 309.841 3.425 20 10 DGCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H](CF)C1 ZINC000899207717 619319007 /nfs/dbraw/zinc/31/90/07/619319007.db2.gz ZEESREJFBRGHGE-VIFPVBQESA-N 0 0 309.362 3.134 20 10 DGCDRN Cc1cc(F)ncc1/C=C1/SC(=S)N(C2CCC2)C1=O ZINC000899260377 619323452 /nfs/dbraw/zinc/32/34/52/619323452.db2.gz DYOVNHHIXMQQBB-IZZDOVSWSA-N 0 0 308.403 3.283 20 10 DGCDRN C[C@@H]1Cc2cc(/C=C3/SC(=S)N(C4CC4)C3=O)ccc2O1 ZINC000899260402 619323704 /nfs/dbraw/zinc/32/37/04/619323704.db2.gz FVZWDVUOTOAKEA-MBBDXHFBSA-N 0 0 317.435 3.374 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)C(C)(C)c2nccs2)cc1 ZINC000900026140 619392591 /nfs/dbraw/zinc/39/25/91/619392591.db2.gz JYUAWZIRJIYWPF-UHFFFAOYSA-N 0 0 317.458 3.145 20 10 DGCDRN C/C(=C(\F)C(=O)NCCCSc1nccs1)C1CC1 ZINC000900681994 619445260 /nfs/dbraw/zinc/44/52/60/619445260.db2.gz DCCVLVTWLVQAEN-PKNBQFBNSA-N 0 0 300.424 3.395 20 10 DGCDRN O=C(CC(F)(F)C(F)F)NCCCSc1nccs1 ZINC000900681874 619445520 /nfs/dbraw/zinc/44/55/20/619445520.db2.gz AMEPCXUIGYXCKR-UHFFFAOYSA-N 0 0 316.345 3.032 20 10 DGCDRN Nc1ccc(OCc2cn(C[C@@H]3C[C@H]3c3ccccc3)nn2)cc1 ZINC000881361730 625354381 /nfs/dbraw/zinc/35/43/81/625354381.db2.gz WEPBNAXQBGSYAI-KXBFYZLASA-N 0 0 320.396 3.243 20 10 DGCDRN CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000903296803 619752649 /nfs/dbraw/zinc/75/26/49/619752649.db2.gz NNBHDDNLINBNJC-IHPUGEDLSA-N 0 0 320.216 3.154 20 10 DGCDRN CC[C@H]([NH2+]Cc1ccc2nonc2c1)c1ccc(F)cc1[O-] ZINC000903326851 619761508 /nfs/dbraw/zinc/76/15/08/619761508.db2.gz USFIVNIMNDTGCB-ZDUSSCGKSA-N 0 0 301.321 3.308 20 10 DGCDRN C[C@H](NC(=O)c1cnc(CC2CC2)s1)c1ccccc1O ZINC000881441208 625374867 /nfs/dbraw/zinc/37/48/67/625374867.db2.gz UBDPBWVIBONTJQ-JTQLQIEISA-N 0 0 302.399 3.292 20 10 DGCDRN CC(C)[C@H]1C[C@@H](c2nc(Cc3ccc(N)cc3)no2)CCO1 ZINC000904504721 619926024 /nfs/dbraw/zinc/92/60/24/619926024.db2.gz SBWHEMGJRHJOPF-DZGCQCFKSA-N 0 0 301.390 3.161 20 10 DGCDRN O[C@H](CNc1ccccc1OCC1CC1)CC1(O)CCCCC1 ZINC000905325378 619987635 /nfs/dbraw/zinc/98/76/35/619987635.db2.gz QCGWEHHFLDTIER-INIZCTEOSA-N 0 0 319.445 3.334 20 10 DGCDRN Cn1ccc([C@H]2CCC[N@H+](Cc3c(O)ccc4ccncc43)C2)n1 ZINC000905716263 620019879 /nfs/dbraw/zinc/01/98/79/620019879.db2.gz QTAWUOAGAXHTGL-HNNXBMFYSA-N 0 0 322.412 3.054 20 10 DGCDRN CSC1(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000789213379 625405439 /nfs/dbraw/zinc/40/54/39/625405439.db2.gz PHVDWULKZVGICA-LBPRGKRZSA-N 0 0 307.463 3.008 20 10 DGCDRN CCc1ccc([C@H](C)CC(=O)NCc2ccc(O)cc2O)cc1 ZINC000910951554 620318504 /nfs/dbraw/zinc/31/85/04/620318504.db2.gz SZSHALPLDZCRKJ-CYBMUJFWSA-N 0 0 313.397 3.470 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000910950300 620318564 /nfs/dbraw/zinc/31/85/64/620318564.db2.gz VXRATIOQOROMNZ-MGPQQGTHSA-N 0 0 303.402 3.321 20 10 DGCDRN C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCc2ccc(O)cc2O)o1 ZINC000910952244 620318614 /nfs/dbraw/zinc/31/86/14/620318614.db2.gz UHLVCKFLFUGNMT-IAQYHMDHSA-N 0 0 315.369 3.063 20 10 DGCDRN O=C(CC[C@H]1CCc2ccccc21)NCc1ccc(O)cc1O ZINC000910955830 620318947 /nfs/dbraw/zinc/31/89/47/620318947.db2.gz GQMLIIXOYPMILW-CQSZACIVSA-N 0 0 311.381 3.224 20 10 DGCDRN CC[C@H](Cc1ccccc1C)C(=O)NCc1ccc(O)cc1O ZINC000910945387 620319534 /nfs/dbraw/zinc/31/95/34/620319534.db2.gz UONPYDAMOOAOFJ-CQSZACIVSA-N 0 0 313.397 3.291 20 10 DGCDRN COc1ccc2c(c1)CCCN2C(=O)c1cccc2c1CCN2 ZINC000912163949 620371122 /nfs/dbraw/zinc/37/11/22/620371122.db2.gz SIQOAYAMLGJPOC-UHFFFAOYSA-N 0 0 308.381 3.256 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)/C(F)=C(/C)C3CC3)C2)cc1 ZINC000912292894 620377201 /nfs/dbraw/zinc/37/72/01/620377201.db2.gz PYABIVVKOSHNDS-RFRKOGIWSA-N 0 0 318.392 3.044 20 10 DGCDRN CC[C@H](CCO)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000152101650 620492238 /nfs/dbraw/zinc/49/22/38/620492238.db2.gz DNSNPDYFFCSNKO-OAHLLOKOSA-N 0 0 318.392 3.124 20 10 DGCDRN O=C(NCc1c(O)cccc1F)N[C@@H]1CCCc2occc21 ZINC000914151916 620508844 /nfs/dbraw/zinc/50/88/44/620508844.db2.gz PSBUFYJKPSYCKP-CYBMUJFWSA-N 0 0 304.321 3.001 20 10 DGCDRN C[C@@H]1C[C@@H]1c1ccc(CNC(=O)NCc2c(O)cccc2F)o1 ZINC000914245994 620515072 /nfs/dbraw/zinc/51/50/72/620515072.db2.gz RKZIVNDCDYSTPZ-PWSUYJOCSA-N 0 0 318.348 3.247 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@](C)(O)C2)cc1 ZINC000152689772 620518605 /nfs/dbraw/zinc/51/86/05/620518605.db2.gz GCGNZVKCTMEHSQ-IBGZPJMESA-N 0 0 312.413 3.081 20 10 DGCDRN Cc1ccccc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000152985076 620530392 /nfs/dbraw/zinc/53/03/92/620530392.db2.gz JJURKKGVRSBDKA-GFCCVEGCSA-N 0 0 300.358 3.159 20 10 DGCDRN C[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N(C)C)cc2)[C@H]1C ZINC000914689175 620548388 /nfs/dbraw/zinc/54/83/88/620548388.db2.gz LEYVNGKTDBIMFJ-KEYYUXOJSA-N 0 0 303.450 3.377 20 10 DGCDRN Cn1cc(/C=C\C(=O)N2CCCc3cc(Cl)ccc32)cn1 ZINC000914726469 620550794 /nfs/dbraw/zinc/55/07/94/620550794.db2.gz HPSIWMGHXSUMTB-DAXSKMNVSA-N 0 0 301.777 3.066 20 10 DGCDRN COc1ccc(-c2nnc(Sc3nccs3)n2C)cc1 ZINC000914863087 620558152 /nfs/dbraw/zinc/55/81/52/620558152.db2.gz VHUQOFFPXUWAAF-UHFFFAOYSA-N 0 0 304.400 3.098 20 10 DGCDRN CCN(CC(C)C)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000915211468 620572731 /nfs/dbraw/zinc/57/27/31/620572731.db2.gz SQLYOZFUAXOXND-CLFYSBASSA-N 0 0 306.362 3.263 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C)n(C)c1C ZINC000915264835 620576742 /nfs/dbraw/zinc/57/67/42/620576742.db2.gz HHDPKSZEKBXLQT-UHFFFAOYSA-N 0 0 313.445 3.370 20 10 DGCDRN COc1ccc(-n2c(C)cc(C(=O)N3CC[C@H](F)C3)c2C)cc1 ZINC000836821379 620587331 /nfs/dbraw/zinc/58/73/31/620587331.db2.gz YEFZVFPQASXZJV-AWEZNQCLSA-N 0 0 316.376 3.287 20 10 DGCDRN CCOCCOCCSc1ncc(-c2ccccc2)n1C ZINC000916202808 620621558 /nfs/dbraw/zinc/62/15/58/620621558.db2.gz DVUJWEJXUCRULY-UHFFFAOYSA-N 0 0 306.431 3.232 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C=C/c2cccs2)c1 ZINC000153903719 620621908 /nfs/dbraw/zinc/62/19/08/620621908.db2.gz NDLFVEXVCGNJMH-LXSSAFMLSA-N 0 0 303.383 3.353 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccccc2C(C)=O)c1 ZINC000153938607 620624733 /nfs/dbraw/zinc/62/47/33/620624733.db2.gz OXUGHDZLLNAIAP-NSHDSACASA-N 0 0 313.353 3.094 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cn3ccccc3n2)cc1 ZINC000916503022 620632476 /nfs/dbraw/zinc/63/24/76/620632476.db2.gz ZSEHWSFZCBUGES-UHFFFAOYSA-N 0 0 322.412 3.111 20 10 DGCDRN Cc1cc(CC(=O)N2CC[C@@H](F)C2)c(C)n1-c1ccccc1 ZINC000854742776 620835138 /nfs/dbraw/zinc/83/51/38/620835138.db2.gz SZEWEKBTZVAMJW-MRXNPFEDSA-N 0 0 300.377 3.207 20 10 DGCDRN CCN(C[C@H](O)c1ccccc1F)c1ccc(OC)c(OC)c1 ZINC000921061264 620835598 /nfs/dbraw/zinc/83/55/98/620835598.db2.gz ANLHWHSOOLDJIL-INIZCTEOSA-N 0 0 319.376 3.403 20 10 DGCDRN CCN(C[C@H](O)Cc1ccccc1)c1ccc(OC)c(OC)c1 ZINC000921061789 620835881 /nfs/dbraw/zinc/83/58/81/620835881.db2.gz LVLOXLOMQZQQRQ-QGZVFWFLSA-N 0 0 315.413 3.134 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)/C=C(\C)C(C)(C)C)C2)cc1 ZINC000855226381 620881670 /nfs/dbraw/zinc/88/16/70/620881670.db2.gz RMOXSUNOJHLEQJ-ZQHYZAEZSA-N 0 0 316.445 3.383 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)C[C@@H]3CCC[C@@H]3C)C2)cc1 ZINC000855223663 620881710 /nfs/dbraw/zinc/88/17/10/620881710.db2.gz CETABBIFVBFHIE-JYJNAYRXSA-N 0 0 316.445 3.216 20 10 DGCDRN CC/C(C)=C(\C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855224515 620881752 /nfs/dbraw/zinc/88/17/52/620881752.db2.gz FQUCBFVSWFWNOG-BUYIWHAFSA-N 0 0 302.418 3.137 20 10 DGCDRN C=Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000855224657 620881819 /nfs/dbraw/zinc/88/18/19/620881819.db2.gz GUKUQNKSHVTRNO-KRWDZBQOSA-N 0 0 322.408 3.347 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)CC3CC(C)(C)C3)C2)cc1 ZINC000855224939 620881847 /nfs/dbraw/zinc/88/18/47/620881847.db2.gz IOAHZZRKGDPRJL-OAHLLOKOSA-N 0 0 316.445 3.216 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)C(C)(C)C(C)C)C2)cc1 ZINC000855228219 620882343 /nfs/dbraw/zinc/88/23/43/620882343.db2.gz XTQAQEAIGPYPMP-AWEZNQCLSA-N 0 0 304.434 3.072 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)[C@]3(C)CCC[C@@H]3C)C2)cc1 ZINC000855226978 620882393 /nfs/dbraw/zinc/88/23/93/620882393.db2.gz RUKGCRQHJRTSGE-YZVOILCLSA-N 0 0 316.445 3.216 20 10 DGCDRN CC(C)OCC[C@@H](O)CSc1ncc(-c2ccccc2)n1C ZINC000788071887 620890668 /nfs/dbraw/zinc/89/06/68/620890668.db2.gz ZMVBLRIEQQTQPN-OAHLLOKOSA-N 0 0 320.458 3.355 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)CO[C@@H]2CCCC[C@@H]2C)c1 ZINC000113429556 620909831 /nfs/dbraw/zinc/90/98/31/620909831.db2.gz UYILMSSNWXKEOY-GDZNZVCISA-N 0 0 321.417 3.173 20 10 DGCDRN Cc1cnc(F)cc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000890030631 620921750 /nfs/dbraw/zinc/92/17/50/620921750.db2.gz IQJBNFLIWGZIRD-GFCCVEGCSA-N 0 0 301.365 3.086 20 10 DGCDRN Cc1cc(-c2nc(C3CCOCC3)no2)c(C)n1-c1ccccn1 ZINC000113748441 620946199 /nfs/dbraw/zinc/94/61/99/620946199.db2.gz HWHMHRWYMKYWBF-UHFFFAOYSA-N 0 0 324.384 3.433 20 10 DGCDRN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)C2=CC(=O)CS2)C12CCC2 ZINC000855922783 620948891 /nfs/dbraw/zinc/94/88/91/620948891.db2.gz RDQZIIKQPUVLOY-CHWSQXEVSA-N 0 0 309.431 3.310 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC1CCC2(CC2(F)F)CC1 ZINC000855960669 620953234 /nfs/dbraw/zinc/95/32/34/620953234.db2.gz RKTPWCZMHZZTDG-DUXPYHPUSA-N 0 0 323.339 3.195 20 10 DGCDRN CC[C@H](C)CCC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856213384 620972459 /nfs/dbraw/zinc/97/24/59/620972459.db2.gz JOGMZSACUYEBJG-HNNXBMFYSA-N 0 0 318.461 3.090 20 10 DGCDRN CCC/C(C)=C\C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856210466 620972633 /nfs/dbraw/zinc/97/26/33/620972633.db2.gz CTNODJCTXWEYTN-SQFISAMPSA-N 0 0 316.445 3.010 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)c2nccn2C)cc1 ZINC000856275858 620979427 /nfs/dbraw/zinc/97/94/27/620979427.db2.gz IYDKPRSPFWUGLH-OAHLLOKOSA-N 0 0 322.412 3.319 20 10 DGCDRN C[C@@H](NCc1nc(Br)c[nH]1)c1ccc(N(C)C)cc1 ZINC000922014467 620980537 /nfs/dbraw/zinc/98/05/37/620980537.db2.gz IMPBPMJKXWARHM-SNVBAGLBSA-N 0 0 323.238 3.089 20 10 DGCDRN O=C(CC[C@H]1CCCCO1)NCCCSc1nccs1 ZINC000114374548 621003423 /nfs/dbraw/zinc/00/34/23/621003423.db2.gz PDQBCBKYCHULPI-GFCCVEGCSA-N 0 0 314.476 3.091 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCCO[C@H]1CCCCO1 ZINC000922234523 621010542 /nfs/dbraw/zinc/01/05/42/621010542.db2.gz YKALLIJUJSWYDJ-AWEZNQCLSA-N 0 0 317.788 3.208 20 10 DGCDRN C[C@@H](Nc1cnc(Br)cn1)c1ccc(N(C)C)cc1 ZINC000856741969 621014958 /nfs/dbraw/zinc/01/49/58/621014958.db2.gz FYGGJDQDEUZORK-SNVBAGLBSA-N 0 0 321.222 3.478 20 10 DGCDRN CCc1ccccc1NC(=O)NCc1cc(OC)ccc1O ZINC000114566447 621015457 /nfs/dbraw/zinc/01/54/57/621015457.db2.gz DSCXFHOSHGMVRN-UHFFFAOYSA-N 0 0 300.358 3.285 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NCC2CCC(C)CC2)c1 ZINC000114591444 621016567 /nfs/dbraw/zinc/01/65/67/621016567.db2.gz YZFUCWGEFAYOAN-UHFFFAOYSA-N 0 0 306.406 3.026 20 10 DGCDRN C[C@H](NC(=O)Nc1ccnc(F)c1F)c1ccc(N(C)C)cc1 ZINC000856909105 621032633 /nfs/dbraw/zinc/03/26/33/621032633.db2.gz YQGWJKQRGURKGH-JTQLQIEISA-N 0 0 320.343 3.309 20 10 DGCDRN Cn1cc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])c(Cl)n1 ZINC000857046137 621050060 /nfs/dbraw/zinc/05/00/60/621050060.db2.gz IKDOMFGXWHQGHB-UHFFFAOYSA-N 0 0 320.607 3.376 20 10 DGCDRN COCC1(C(=O)NCc2ccc(N(C)C)cc2C)CCCCC1 ZINC000857126339 621059527 /nfs/dbraw/zinc/05/95/27/621059527.db2.gz ALVIVSXQXNHEJG-UHFFFAOYSA-N 0 0 318.461 3.274 20 10 DGCDRN CCCc1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)s1 ZINC000857202522 621068042 /nfs/dbraw/zinc/06/80/42/621068042.db2.gz PIGGZKDATPGLBK-RAXLEYEMSA-N 0 0 322.455 3.003 20 10 DGCDRN COc1cc(CNc2ccc(F)nn2)c(O)c(C(C)(C)C)c1 ZINC000857224875 621071228 /nfs/dbraw/zinc/07/12/28/621071228.db2.gz FOCAFDPGKWEANO-UHFFFAOYSA-N 0 0 305.353 3.240 20 10 DGCDRN Cc1cc(C(=O)NCC[C@@H]2CC2(F)F)c(C)n1-c1ccccn1 ZINC000857350892 621082049 /nfs/dbraw/zinc/08/20/49/621082049.db2.gz WNKXHODHDQDUNK-CYBMUJFWSA-N 0 0 319.355 3.264 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C[C@@H]2CCc3ccccc32)cc1 ZINC000115205585 621089726 /nfs/dbraw/zinc/08/97/26/621089726.db2.gz XHLNBQNGCJUVGO-KRWDZBQOSA-N 0 0 308.425 3.489 20 10 DGCDRN COc1cc(C)sc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000115282082 621094370 /nfs/dbraw/zinc/09/43/70/621094370.db2.gz KXVTVDGLIZNNPB-UHFFFAOYSA-N 0 0 318.442 3.370 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Cc1noc2ccccc12 ZINC000115281529 621094385 /nfs/dbraw/zinc/09/43/85/621094385.db2.gz ULAAWIGTXREXHX-UHFFFAOYSA-N 0 0 323.396 3.061 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CCOc1ccccc1 ZINC000115280405 621094525 /nfs/dbraw/zinc/09/45/25/621094525.db2.gz SANNRPPTYGGIHG-UHFFFAOYSA-N 0 0 312.413 3.146 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cc(F)ccc1F ZINC000115281117 621094549 /nfs/dbraw/zinc/09/45/49/621094549.db2.gz MSCDURWLROXNPQ-UHFFFAOYSA-N 0 0 304.340 3.269 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(N(C)C)cc1 ZINC000115280753 621094680 /nfs/dbraw/zinc/09/46/80/621094680.db2.gz GYDSXRYMLPPOKA-UHFFFAOYSA-N 0 0 311.429 3.057 20 10 DGCDRN CC(C)c1cc(C(=O)NCc2cc(Cl)ccc2O)cc(=O)[nH]1 ZINC000857548314 621095591 /nfs/dbraw/zinc/09/55/91/621095591.db2.gz IUTKISSZOBVVOF-UHFFFAOYSA-N 0 0 320.776 3.200 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cnc1F ZINC000857610339 621103570 /nfs/dbraw/zinc/10/35/70/621103570.db2.gz LWWHZFMEJUIFMK-LBPRGKRZSA-N 0 0 301.365 3.086 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cnc(F)c(C)c1 ZINC000857713927 621115489 /nfs/dbraw/zinc/11/54/89/621115489.db2.gz WZRLOGMZLZJSHU-UHFFFAOYSA-N 0 0 302.349 3.287 20 10 DGCDRN O=C(NCCCSc1nccs1)NCc1ccccc1 ZINC000115633191 621119492 /nfs/dbraw/zinc/11/94/92/621119492.db2.gz RKYWIAYCEKYPLN-UHFFFAOYSA-N 0 0 307.444 3.125 20 10 DGCDRN C[C@@H]1C(=O)Nc2ccccc2CN1Cc1ccc(N(C)C)cc1 ZINC000857920462 621132464 /nfs/dbraw/zinc/13/24/64/621132464.db2.gz DGXDRBWVYBLHHV-CQSZACIVSA-N 0 0 309.413 3.095 20 10 DGCDRN Cn1nc(C2CC2)cc1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000922947876 621135646 /nfs/dbraw/zinc/13/56/46/621135646.db2.gz LJFKOGNKLINWHW-UHFFFAOYSA-N 0 0 309.772 3.085 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)c1cccnc1 ZINC000115787487 621143357 /nfs/dbraw/zinc/14/33/57/621143357.db2.gz CHOIJUMTZZWVAH-CQSZACIVSA-N 0 0 312.417 3.016 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H](C)CCc2ccco2)c1 ZINC000858103472 621153207 /nfs/dbraw/zinc/15/32/07/621153207.db2.gz UWHPLDCSUNGZLT-ZDUSSCGKSA-N 0 0 302.374 3.114 20 10 DGCDRN C[C@H]1C[C@@H](NCc2cc(F)c(N(C)C)cc2F)c2nccn21 ZINC000858171765 621160999 /nfs/dbraw/zinc/16/09/99/621160999.db2.gz CQDCJOPLTZEZDX-IINYFYTJSA-N 0 0 306.360 3.023 20 10 DGCDRN C[C@@H]1C[C@H](NCc2c(O)cccc2Br)c2nccn21 ZINC000858172488 621161148 /nfs/dbraw/zinc/16/11/48/621161148.db2.gz WGBROZUXFMPELF-SKDRFNHKSA-N 0 0 322.206 3.147 20 10 DGCDRN CCCC[C@](C)(CO)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858182391 621162035 /nfs/dbraw/zinc/16/20/35/621162035.db2.gz RESLUSMDQNNBRS-MRXNPFEDSA-N 0 0 300.393 3.062 20 10 DGCDRN C[C@H](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C(F)(F)F ZINC000858200207 621164106 /nfs/dbraw/zinc/16/41/06/621164106.db2.gz QHSYTKFJYAPPMU-LLVKDONJSA-N 0 0 302.340 3.300 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H](C)c2cnn(C(C)C)c2)c1 ZINC000858213939 621165592 /nfs/dbraw/zinc/16/55/92/621165592.db2.gz HDIYLBSXOHWDOB-ZDUSSCGKSA-N 0 0 316.405 3.038 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC[C@H](C)Cc2cccs2)c1 ZINC000858249559 621168290 /nfs/dbraw/zinc/16/82/90/621168290.db2.gz WNPIOHSPXIROEG-CYBMUJFWSA-N 0 0 318.442 3.440 20 10 DGCDRN COc1cc(CNc2cnn(CCF)c2)c(O)c(C(C)(C)C)c1 ZINC000858246593 621168454 /nfs/dbraw/zinc/16/84/54/621168454.db2.gz XEHFKEILHQUXMW-UHFFFAOYSA-N 0 0 321.396 3.476 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccns1 ZINC000858317485 621175228 /nfs/dbraw/zinc/17/52/28/621175228.db2.gz PZQNCDMWHSXNAT-SSDOTTSWSA-N 0 0 313.766 3.261 20 10 DGCDRN C[C@@H](NC(=O)NCc1c(O)cccc1F)C1CCC(F)CC1 ZINC000923321352 621175839 /nfs/dbraw/zinc/17/58/39/621175839.db2.gz LNHARKFYDDWITH-VOMCLLRMSA-N 0 0 312.360 3.247 20 10 DGCDRN C[C@H](NC(=O)NCc1c(O)cccc1F)C1CCC(F)CC1 ZINC000923321350 621175896 /nfs/dbraw/zinc/17/58/96/621175896.db2.gz LNHARKFYDDWITH-UNXYVOJBSA-N 0 0 312.360 3.247 20 10 DGCDRN CC(C)(C)C(F)(F)CNC(=O)NCc1c(O)cccc1F ZINC000923342475 621177980 /nfs/dbraw/zinc/17/79/80/621177980.db2.gz OUKKIJCXXITSFW-UHFFFAOYSA-N 0 0 304.312 3.012 20 10 DGCDRN CS[C@H](CNC(=O)NCc1cc(C)ccc1O)C(C)(C)C ZINC000858357697 621180532 /nfs/dbraw/zinc/18/05/32/621180532.db2.gz JSCPHTDASBMCNU-CQSZACIVSA-N 0 0 310.463 3.278 20 10 DGCDRN CSCCCCCCNC(=O)NCc1cc(C)ccc1O ZINC000858359180 621180734 /nfs/dbraw/zinc/18/07/34/621180734.db2.gz MFTRISJXBWQULN-UHFFFAOYSA-N 0 0 310.463 3.423 20 10 DGCDRN CC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000923474151 621186550 /nfs/dbraw/zinc/18/65/50/621186550.db2.gz WMFLDBTVXWERCX-GOSISDBHSA-N 0 0 304.434 3.138 20 10 DGCDRN CC(C)c1nocc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000858453300 621192811 /nfs/dbraw/zinc/19/28/11/621192811.db2.gz UWDNTRSZJZTJLB-UHFFFAOYSA-N 0 0 313.401 3.328 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1ccc(F)cc1[O-] ZINC000858453388 621193028 /nfs/dbraw/zinc/19/30/28/621193028.db2.gz KQJQNBLVBZPOAE-WBMJQRKESA-N 0 0 301.361 3.323 20 10 DGCDRN CC[C@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1ccc(F)cc1[O-] ZINC000858478973 621196329 /nfs/dbraw/zinc/19/63/29/621196329.db2.gz FYMSDDQVLFTDOQ-OCCSQVGLSA-N 0 0 316.367 3.302 20 10 DGCDRN CC(=O)N(C)c1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000858495786 621198048 /nfs/dbraw/zinc/19/80/48/621198048.db2.gz KEOBONIMZYMZCF-LBPRGKRZSA-N 0 0 316.376 3.365 20 10 DGCDRN CCOC(=O)C1=CC[C@H]([NH2+][C@H](CC)c2ccc(F)cc2[O-])C1 ZINC000858505868 621199859 /nfs/dbraw/zinc/19/98/59/621199859.db2.gz BPMVFRQYMVBVLR-DZGCQCFKSA-N 0 0 307.365 3.224 20 10 DGCDRN CC[C@@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1cccc(Cl)c1[O-] ZINC000858602854 621208894 /nfs/dbraw/zinc/20/88/94/621208894.db2.gz KFHLDLCKZWWOCD-HUUCEWRRSA-N 0 0 322.836 3.240 20 10 DGCDRN CC[C@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1cccc(Cl)c1[O-] ZINC000858602853 621209132 /nfs/dbraw/zinc/20/91/32/621209132.db2.gz KFHLDLCKZWWOCD-GJZGRUSLSA-N 0 0 322.836 3.240 20 10 DGCDRN CCO[C@H](C(=O)NCc1ccc(N(CC)CC)cc1)C(C)C ZINC000858605404 621209434 /nfs/dbraw/zinc/20/94/34/621209434.db2.gz SREVDAGUKFCTKA-KRWDZBQOSA-N 0 0 306.450 3.210 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC1CCC(C(F)F)CC1 ZINC000838103663 621210691 /nfs/dbraw/zinc/21/06/91/621210691.db2.gz RYUOGXLNVZGBDB-WAPJZHGLSA-N 0 0 311.328 3.051 20 10 DGCDRN Cc1cc(CNc2nccn(C)c2=O)c(C)n1-c1cccc(C)c1 ZINC000858800105 621221713 /nfs/dbraw/zinc/22/17/13/621221713.db2.gz AZDPJLKPLYAHAG-UHFFFAOYSA-N 0 0 322.412 3.108 20 10 DGCDRN CCC(F)(F)C(C)(C)CNC(=O)NCc1ccccc1O ZINC000858818500 621222867 /nfs/dbraw/zinc/22/28/67/621222867.db2.gz LEVFLKDLIDDHKH-UHFFFAOYSA-N 0 0 300.349 3.263 20 10 DGCDRN CCC(O)(CC)CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000788104977 621253449 /nfs/dbraw/zinc/25/34/49/621253449.db2.gz CAZGMABSWJCSBF-AWEZNQCLSA-N 0 0 321.465 3.054 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NCC2CCCCCC2)c1 ZINC000838474886 621258411 /nfs/dbraw/zinc/25/84/11/621258411.db2.gz UCLKXNFRTGWJCK-UHFFFAOYSA-N 0 0 306.406 3.170 20 10 DGCDRN CN(C(=O)NCc1ccc(N2CC=CC2)cc1)C1CC(C)(C)C1 ZINC000838485946 621259218 /nfs/dbraw/zinc/25/92/18/621259218.db2.gz KQGBZGMFVLYSRZ-UHFFFAOYSA-N 0 0 313.445 3.393 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccnc(C)c1 ZINC000838642325 621268700 /nfs/dbraw/zinc/26/87/00/621268700.db2.gz MOTQYKNJYPRVRJ-UHFFFAOYSA-N 0 0 313.401 3.217 20 10 DGCDRN COc1cccc(CNC(=O)NCC2CCCCCC2)c1O ZINC000838669336 621271407 /nfs/dbraw/zinc/27/14/07/621271407.db2.gz UZSNHQLGBNZKSP-UHFFFAOYSA-N 0 0 306.406 3.170 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCCC[C@H]1CCOC1 ZINC000838714826 621272773 /nfs/dbraw/zinc/27/27/73/621272773.db2.gz NYVVGLGUPOMHFC-HNNXBMFYSA-N 0 0 320.433 3.131 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1cnc(C)o1 ZINC000838756826 621275421 /nfs/dbraw/zinc/27/54/21/621275421.db2.gz BYKWATNKZMPJPR-UHFFFAOYSA-N 0 0 317.389 3.201 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H](C)c1ccco1 ZINC000859420489 621276506 /nfs/dbraw/zinc/27/65/06/621276506.db2.gz ZLHCUVNEKUJBNC-CQSZACIVSA-N 0 0 300.402 3.464 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H](C)C(F)(F)F ZINC000859421259 621276533 /nfs/dbraw/zinc/27/65/33/621276533.db2.gz SVWKHQABDDGJPA-LLVKDONJSA-N 0 0 302.340 3.266 20 10 DGCDRN Cc1cc(C(=O)Nc2n[nH]c(C)n2)c(C)n1-c1ccccc1C ZINC000103253548 621306376 /nfs/dbraw/zinc/30/63/76/621306376.db2.gz WRLMFKQLDRLRHF-UHFFFAOYSA-N 0 0 309.373 3.081 20 10 DGCDRN CNc1ccc(NC(=O)NCc2ccc3c(c2)CCCN3C)cc1 ZINC000859745508 621317380 /nfs/dbraw/zinc/31/73/80/621317380.db2.gz STJPFIJXQLETJD-UHFFFAOYSA-N 0 0 324.428 3.432 20 10 DGCDRN Cc1cc(Br)c(O)c(CN2CC(C(F)F)C2)c1 ZINC000839141503 621340267 /nfs/dbraw/zinc/34/02/67/621340267.db2.gz RAXXMTJNXAAHBF-UHFFFAOYSA-N 0 0 306.150 3.160 20 10 DGCDRN CCN(CC)c1ccc(CN[C@H](C)c2ccn(C)n2)cc1F ZINC000839190162 621346406 /nfs/dbraw/zinc/34/64/06/621346406.db2.gz CXVKTTYGAJTVFX-CYBMUJFWSA-N 0 0 304.413 3.256 20 10 DGCDRN CCN(CC)c1ccc(CN[C@@H](C)c2ccn(C)n2)cc1F ZINC000839190163 621346483 /nfs/dbraw/zinc/34/64/83/621346483.db2.gz CXVKTTYGAJTVFX-ZDUSSCGKSA-N 0 0 304.413 3.256 20 10 DGCDRN Cc1cc(NS(=O)(=O)c2cnc3ccccc3c2)ccc1O ZINC000788139722 621354540 /nfs/dbraw/zinc/35/45/40/621354540.db2.gz NXCXLAYXQHGVIR-UHFFFAOYSA-N 0 0 314.366 3.050 20 10 DGCDRN COC(=O)c1cc(CN(C)c2ccc(OC)c(OC)c2)cs1 ZINC000839472425 621379073 /nfs/dbraw/zinc/37/90/73/621379073.db2.gz POVYGWLUCNOIOE-UHFFFAOYSA-N 0 0 321.398 3.188 20 10 DGCDRN CCC(CC)NC(=O)NCc1cc(Br)ccc1O ZINC000804871965 621384859 /nfs/dbraw/zinc/38/48/59/621384859.db2.gz YHTYPLWKUUEIHJ-UHFFFAOYSA-N 0 0 315.211 3.143 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(OCC)c1 ZINC000808096889 621385727 /nfs/dbraw/zinc/38/57/27/621385727.db2.gz KNXVBSJLDRMXOK-UHFFFAOYSA-N 0 0 320.385 3.207 20 10 DGCDRN CC[C@@H]([NH2+]CCOC[C@@H]1CCOC1)c1cccc(Cl)c1[O-] ZINC000806139566 621390669 /nfs/dbraw/zinc/39/06/69/621390669.db2.gz PRPWBNZACDWTJE-IUODEOHRSA-N 0 0 313.825 3.139 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)OC[C@@H]2CCCO2)C2CC2)cc1 ZINC000804960243 621390952 /nfs/dbraw/zinc/39/09/52/621390952.db2.gz MSFSAGMDXYEZJR-KRWDZBQOSA-N 0 0 318.417 3.033 20 10 DGCDRN CC[C@@H](C)c1nnc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)[nH]1 ZINC000752924600 621416240 /nfs/dbraw/zinc/41/62/40/621416240.db2.gz HTYTWOZOCSUMII-VXGBXAGGSA-N 0 0 319.428 3.374 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(C)cn2)cc1F ZINC000753292806 621435922 /nfs/dbraw/zinc/43/59/22/621435922.db2.gz FVFHMQKDMJIICB-UHFFFAOYSA-N 0 0 315.392 3.305 20 10 DGCDRN COC(=O)c1cnc(Sc2nccs2)cc1C(F)(F)F ZINC000753555527 621448357 /nfs/dbraw/zinc/44/83/57/621448357.db2.gz WNDAHCGOHKPVRN-UHFFFAOYSA-N 0 0 320.317 3.495 20 10 DGCDRN CN(Cc1cc(-n2ccnc2)cs1)c1ccc2c(c1)OCO2 ZINC000753569217 621449520 /nfs/dbraw/zinc/44/95/20/621449520.db2.gz GMHKVOYNSQLQQA-UHFFFAOYSA-N 0 0 313.382 3.299 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccnn2CCC(C)C)c1 ZINC000860976307 621465201 /nfs/dbraw/zinc/46/52/01/621465201.db2.gz JVJXNLMSMNJFSC-UHFFFAOYSA-N 0 0 316.405 3.265 20 10 DGCDRN CC[C@@H](C)[C@@H](NC(=O)NCc1cc(C)ccc1O)C(F)(F)F ZINC000861021522 621468633 /nfs/dbraw/zinc/46/86/33/621468633.db2.gz DJUKOKLAVVZGRK-ZWNOBZJWSA-N 0 0 318.339 3.477 20 10 DGCDRN COCCN(CC[C@@H]1CCCCO1)c1ccc(OC)c(OC)c1 ZINC000754065012 621484235 /nfs/dbraw/zinc/48/42/35/621484235.db2.gz HOIIYJANXHCJFO-INIZCTEOSA-N 0 0 323.433 3.116 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C=C\c1ccc(C)nc1)C[C@@H](C)O2 ZINC000754317054 621502530 /nfs/dbraw/zinc/50/25/30/621502530.db2.gz KGPJNMWSVWPVIT-DEBLGDTFSA-N 0 0 324.380 3.226 20 10 DGCDRN C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C1CC1 ZINC000754549449 621515917 /nfs/dbraw/zinc/51/59/17/621515917.db2.gz DACPOXFMTFJSRR-NSHDSACASA-N 0 0 319.360 3.447 20 10 DGCDRN CC1(C)CCC(C)(NC(=O)NCCc2ccc(N)cc2)CC1 ZINC000861641885 621531241 /nfs/dbraw/zinc/53/12/41/621531241.db2.gz XZYVGTSUFRIEMO-UHFFFAOYSA-N 0 0 303.450 3.469 20 10 DGCDRN Cc1nc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2s1 ZINC000754832695 621535772 /nfs/dbraw/zinc/53/57/72/621535772.db2.gz KYRIGXJDYIZZKB-WDZFZDKYSA-N 0 0 306.437 3.436 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CC3(CC3)C2)ccc1C ZINC000861853464 621541230 /nfs/dbraw/zinc/54/12/30/621541230.db2.gz FJYXNDPQEXARJR-UHFFFAOYSA-N 0 0 322.408 3.451 20 10 DGCDRN O=C(CC1CCSCC1)NCc1ccc2cccnc2c1O ZINC000862027162 621551272 /nfs/dbraw/zinc/55/12/72/621551272.db2.gz KYUQWADTHNMNCD-UHFFFAOYSA-N 0 0 316.426 3.090 20 10 DGCDRN CN(C)c1cc(F)c(CN2CCC[C@H](n3ccnc3)C2)cc1F ZINC000862238193 621565381 /nfs/dbraw/zinc/56/53/81/621565381.db2.gz PKBKPYPEEFAPRN-AWEZNQCLSA-N 0 0 320.387 3.064 20 10 DGCDRN CN(C)c1cc(F)c(CN2CCO[C@H](c3ccco3)C2)cc1F ZINC000862250894 621568413 /nfs/dbraw/zinc/56/84/13/621568413.db2.gz RRECKEIRGPQYOM-KRWDZBQOSA-N 0 0 322.355 3.197 20 10 DGCDRN CN(C)c1cc(F)c(CN2CCC[C@@H]2c2ncc[nH]2)cc1F ZINC000862325994 621574283 /nfs/dbraw/zinc/57/42/83/621574283.db2.gz IDHVTCZQOUKRCZ-CQSZACIVSA-N 0 0 306.360 3.091 20 10 DGCDRN COc1ccc(/C=C(/C)C(=O)NCc2ccccc2O)cc1F ZINC000755516402 621577225 /nfs/dbraw/zinc/57/72/25/621577225.db2.gz RAYOQZUKIGWWEB-XFXZXTDPSA-N 0 0 315.344 3.260 20 10 DGCDRN CCc1nocc1CN(C)Cc1cc(F)c(N(C)C)cc1F ZINC000862378376 621581809 /nfs/dbraw/zinc/58/18/09/621581809.db2.gz SMLFYNGDTQKSDR-UHFFFAOYSA-N 0 0 309.360 3.213 20 10 DGCDRN COC(=O)C1=CC[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000862464529 621592361 /nfs/dbraw/zinc/59/23/61/621592361.db2.gz ATOCPIUOYHIXJC-SFHVURJKSA-N 0 0 323.392 3.411 20 10 DGCDRN COC(=O)c1sccc1CN1CCCc2cc(OC)ccc21 ZINC000755891127 621600602 /nfs/dbraw/zinc/60/06/02/621600602.db2.gz WKJYHZIEOIWBJD-UHFFFAOYSA-N 0 0 317.410 3.496 20 10 DGCDRN CCOc1ccc(CN2CCOc3cc(F)ccc3C2)c(O)c1 ZINC000862551096 621600854 /nfs/dbraw/zinc/60/08/54/621600854.db2.gz RIJNTMAGZURKQC-UHFFFAOYSA-N 0 0 317.360 3.325 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](c1ccccn1)C1CCC1 ZINC000862744828 621612881 /nfs/dbraw/zinc/61/28/81/621612881.db2.gz IBYGHYFBCYBXNO-IBHIWXBSSA-N 0 0 324.380 3.164 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CCCOc2ccccc2F)c1 ZINC000862759006 621614285 /nfs/dbraw/zinc/61/42/85/621614285.db2.gz SXGADBYDRXYRCT-UHFFFAOYSA-N 0 0 317.360 3.315 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H](C)Cc2cccc(F)c2)c1 ZINC000862758807 621614312 /nfs/dbraw/zinc/61/43/12/621614312.db2.gz MCJNYMIJJRLRHD-ZDUSSCGKSA-N 0 0 301.361 3.335 20 10 DGCDRN CO[C@H](C)c1nc(C)c(C(=O)NCc2cc(C)ccc2O)s1 ZINC000862758464 621614350 /nfs/dbraw/zinc/61/43/50/621614350.db2.gz ZVYPZKHKBUTSQJ-LLVKDONJSA-N 0 0 320.414 3.103 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2nc(C(C)C)ncc2Cl)c1 ZINC000862758976 621614374 /nfs/dbraw/zinc/61/43/74/621614374.db2.gz RWBDOENPAZBVGZ-UHFFFAOYSA-N 0 0 319.792 3.197 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CCC(=O)c2cccs2)c1 ZINC000862761841 621614657 /nfs/dbraw/zinc/61/46/57/621614657.db2.gz ZFOHJMCBPZPTHX-UHFFFAOYSA-N 0 0 303.383 3.041 20 10 DGCDRN CCN(CC[NH2+]Cc1cccc(Cl)c1[O-])CCC(F)(F)F ZINC000756127865 621617289 /nfs/dbraw/zinc/61/72/89/621617289.db2.gz JADWMPJXGGGDEU-UHFFFAOYSA-N 0 0 324.774 3.410 20 10 DGCDRN COC(=O)[C@@H](CC1CCCCC1)NCc1ccc2c(c1)CCO2 ZINC000756147766 621618994 /nfs/dbraw/zinc/61/89/94/621618994.db2.gz URHYSIACUYTXQB-QGZVFWFLSA-N 0 0 317.429 3.223 20 10 DGCDRN CCC(F)(F)C(C)(C)CNC(=O)c1ccc(C)c(O)c1O ZINC000862945128 621628077 /nfs/dbraw/zinc/62/80/77/621628077.db2.gz LTFPVFXGTANEFQ-UHFFFAOYSA-N 0 0 301.333 3.208 20 10 DGCDRN C[C@H]([NH2+]CC1(N(C)C)CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756358667 621631114 /nfs/dbraw/zinc/63/11/14/621631114.db2.gz WLEHWWUDUXEWDP-ZDUSSCGKSA-N 0 0 321.421 3.216 20 10 DGCDRN Cc1ccc(OCC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000756371469 621632186 /nfs/dbraw/zinc/63/21/86/621632186.db2.gz JYICLYUJLLZTTJ-CYBMUJFWSA-N 0 0 316.357 3.338 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1cc(F)cc(F)c1[O-] ZINC000756378873 621633064 /nfs/dbraw/zinc/63/30/64/621633064.db2.gz JFSOPXCLUUXPPL-GWCFXTLKSA-N 0 0 305.324 3.325 20 10 DGCDRN C[C@]1(C(=O)[O-])CCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000756385415 621633876 /nfs/dbraw/zinc/63/38/76/621633876.db2.gz DMOIKIDJWUTQAC-MJGOQNOKSA-N 0 0 316.445 3.410 20 10 DGCDRN C[C@@H]([NH2+]CCc1cn2c(n1)CCCC2)c1cc(F)cc(F)c1[O-] ZINC000756401550 621635610 /nfs/dbraw/zinc/63/56/10/621635610.db2.gz ITAYGSSMCHUELV-LLVKDONJSA-N 0 0 321.371 3.097 20 10 DGCDRN C[C@H]([NH2+]CCN(C)C1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756454961 621639376 /nfs/dbraw/zinc/63/93/76/621639376.db2.gz GUJYGAFTXZJOOW-ZDUSSCGKSA-N 0 0 321.421 3.216 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)CN1CCC[C@@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756459355 621639493 /nfs/dbraw/zinc/63/94/93/621639493.db2.gz NUBAJRJCQPNBQC-HZSPNIEDSA-N 0 0 321.421 3.071 20 10 DGCDRN C/C=C\CNC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC000863111667 621639531 /nfs/dbraw/zinc/63/95/31/621639531.db2.gz FJUBAUAVSYPFLI-PLNGDYQASA-N 0 0 310.397 3.141 20 10 DGCDRN C[C@H](CN1CCC[C@@H](C)C1)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756459357 621639663 /nfs/dbraw/zinc/63/96/63/621639663.db2.gz NUBAJRJCQPNBQC-MCIONIFRSA-N 0 0 321.421 3.071 20 10 DGCDRN Cc1ccnc(CN(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000756482067 621641078 /nfs/dbraw/zinc/64/10/78/621641078.db2.gz NIYXZFDPVOXPCA-UHFFFAOYSA-N 0 0 310.445 3.407 20 10 DGCDRN C[C@H]([NH2+]CCn1cnc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000756481943 621641167 /nfs/dbraw/zinc/64/11/67/621641167.db2.gz HBHIVBYAWCPNOH-NSHDSACASA-N 0 0 317.339 3.371 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(F)cc2F)c1 ZINC000756494481 621641977 /nfs/dbraw/zinc/64/19/77/621641977.db2.gz FKSRZVJERYWICG-JTQLQIEISA-N 0 0 321.323 3.308 20 10 DGCDRN C[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1cc(F)cc(F)c1[O-] ZINC000756503154 621642867 /nfs/dbraw/zinc/64/28/67/621642867.db2.gz LFZXZRNHJMYVJK-VIFPVBQESA-N 0 0 320.330 3.051 20 10 DGCDRN Cc1cnn(C)c1C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000863163860 621644196 /nfs/dbraw/zinc/64/41/96/621644196.db2.gz RMAXTTQKIPTMJX-UHFFFAOYSA-N 0 0 322.412 3.066 20 10 DGCDRN CCC[C@H](O)CC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000863166166 621644517 /nfs/dbraw/zinc/64/45/17/621644517.db2.gz VCCDHGXPFOQWTI-SFHVURJKSA-N 0 0 314.429 3.261 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)c2nc(C)cs2)c1 ZINC000756533763 621645973 /nfs/dbraw/zinc/64/59/73/621645973.db2.gz IBQFUOSITGUTAB-WDEREUQCSA-N 0 0 320.414 3.356 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(F)ccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756549903 621647221 /nfs/dbraw/zinc/64/72/21/621647221.db2.gz PLBPSKPYHNABCR-VIFPVBQESA-N 0 0 308.284 3.429 20 10 DGCDRN Cc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756576282 621650706 /nfs/dbraw/zinc/65/07/06/621650706.db2.gz LXPPJZWTGVGGIF-ZBEGNZNMSA-N 0 0 307.340 3.363 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC(C2CC2)C2CC2)c1 ZINC000756614798 621652566 /nfs/dbraw/zinc/65/25/66/621652566.db2.gz ATNZIRIFPLGUNR-LLVKDONJSA-N 0 0 303.402 3.266 20 10 DGCDRN CC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C1CCOCC1 ZINC000756627886 621653487 /nfs/dbraw/zinc/65/34/87/621653487.db2.gz IUSNFQABUHQUKL-IAQYHMDHSA-N 0 0 308.378 3.156 20 10 DGCDRN CC(C)C[C@H](CCO)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756624903 621653553 /nfs/dbraw/zinc/65/35/53/621653553.db2.gz HGOFDJFZZMWOQJ-RYUDHWBXSA-N 0 0 301.377 3.366 20 10 DGCDRN CCO[C@H](CC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-])C(C)C ZINC000756629309 621654187 /nfs/dbraw/zinc/65/41/87/621654187.db2.gz PFVMLLKYOBTXKG-SUMWQHHRSA-N 0 0 323.433 3.281 20 10 DGCDRN Cc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756638664 621655251 /nfs/dbraw/zinc/65/52/51/621655251.db2.gz VQOUDIIREAYHGU-ZBEGNZNMSA-N 0 0 307.340 3.363 20 10 DGCDRN CN1CCC[C@H]1C[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000211710026 625505815 /nfs/dbraw/zinc/50/58/15/625505815.db2.gz HKFUMWARCFCAMN-LBPRGKRZSA-N 0 0 303.233 3.225 20 10 DGCDRN COc1ccc(C)cc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756672828 621657901 /nfs/dbraw/zinc/65/79/01/621657901.db2.gz TXKBCHUAICCSIJ-GFCCVEGCSA-N 0 0 316.357 3.468 20 10 DGCDRN CCC1(O)CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000756674952 621658276 /nfs/dbraw/zinc/65/82/76/621658276.db2.gz DZUJNVXWHLNVHN-OPGSHWCFSA-N 0 0 308.378 3.035 20 10 DGCDRN C[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1cc(F)cc(F)c1[O-] ZINC000756711859 621659979 /nfs/dbraw/zinc/65/99/79/621659979.db2.gz MUBOJBPTUODVBV-BJOHPYRUSA-N 0 0 311.303 3.194 20 10 DGCDRN C[C@H]([NH2+]Cc1nc2cc(F)ccc2n1C)c1ccc(F)cc1[O-] ZINC000756733668 621661279 /nfs/dbraw/zinc/66/12/79/621661279.db2.gz RSGUKANVUXRQPP-JTQLQIEISA-N 0 0 317.339 3.408 20 10 DGCDRN C[C@H]([NH2+]Cc1cocn1)c1cc(Br)c(F)cc1[O-] ZINC000756831234 621666987 /nfs/dbraw/zinc/66/69/87/621666987.db2.gz MLEHMDYTTHCSIJ-ZETCQYMHSA-N 0 0 315.142 3.133 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c1[O-] ZINC000756900522 621671559 /nfs/dbraw/zinc/67/15/59/621671559.db2.gz FKTDVKQLVXLGOT-BLLLJJGKSA-N 0 0 323.820 3.249 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cc1ccoc1 ZINC000119457749 621673937 /nfs/dbraw/zinc/67/39/37/621673937.db2.gz HTUFNILBMDOQSQ-UHFFFAOYSA-N 0 0 312.413 3.471 20 10 DGCDRN CCc1csc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1 ZINC000756970580 621676832 /nfs/dbraw/zinc/67/68/32/621676832.db2.gz WFHSIOFGFJNKHI-UHFFFAOYSA-N 0 0 321.421 3.180 20 10 DGCDRN CC[C@@H]1CCC[C@H]1NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000756986646 621677562 /nfs/dbraw/zinc/67/75/62/621677562.db2.gz QFECKLVZPQFFBF-LALPHHSUSA-N 0 0 306.406 3.340 20 10 DGCDRN CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000863543433 621682361 /nfs/dbraw/zinc/68/23/61/621682361.db2.gz OLAVOGIYUJYIAI-KPXOXKRLSA-N 0 0 303.233 3.490 20 10 DGCDRN CCC[C@@H](NC(=O)CN(C)c1ccc(N)cc1)c1ccccc1 ZINC000863557081 621683425 /nfs/dbraw/zinc/68/34/25/621683425.db2.gz HNYGZSKBXINCSV-GOSISDBHSA-N 0 0 311.429 3.363 20 10 DGCDRN Cc1ccc([C@@H](NC(=O)CN(C)c2ccc(N)cc2)C2CC2)cc1 ZINC000863557938 621683582 /nfs/dbraw/zinc/68/35/82/621683582.db2.gz YEOMUQSYMRVPAR-HXUWFJFHSA-N 0 0 323.440 3.281 20 10 DGCDRN C[C@@H](NCc1nc(N)c2ccccc2n1)c1ccc(N(C)C)cc1 ZINC000839563183 621697321 /nfs/dbraw/zinc/69/73/21/621697321.db2.gz HSDJDFZPCIQWPL-CYBMUJFWSA-N 0 0 321.428 3.129 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CN(c2ccccc2)C2CC2)cc1 ZINC000839617794 621700880 /nfs/dbraw/zinc/70/08/80/621700880.db2.gz RMQDUJVMTCJEAG-UHFFFAOYSA-N 0 0 323.440 3.038 20 10 DGCDRN COc1ccc([C@@H]2CCN(C(=O)C3=CC(=O)CS3)C2)cc1F ZINC000863695156 621702335 /nfs/dbraw/zinc/70/23/35/621702335.db2.gz YTXNJJVUPWAAFJ-LLVKDONJSA-N 0 0 321.373 3.231 20 10 DGCDRN CCOc1ccc(C[C@H](C)C(=O)NCc2ccccc2O)cc1 ZINC000839611727 621703500 /nfs/dbraw/zinc/70/35/00/621703500.db2.gz ISZOSLSHJIVOOI-AWEZNQCLSA-N 0 0 313.397 3.286 20 10 DGCDRN COc1cc2c(c(OC)c1)N(Cc1ccncc1F)CCC2 ZINC000839656387 621704246 /nfs/dbraw/zinc/70/42/46/621704246.db2.gz ZVGZWNQALXYBMQ-UHFFFAOYSA-N 0 0 302.349 3.191 20 10 DGCDRN COc1cc2c(c(OC)c1)N(Cc1csc(C)n1)CCC2 ZINC000839655135 621704446 /nfs/dbraw/zinc/70/44/46/621704446.db2.gz SEUWTULPOSWUQU-UHFFFAOYSA-N 0 0 304.415 3.422 20 10 DGCDRN CN=[S@](C)(=O)c1cccc(NCc2cccc(C)c2O)c1 ZINC000864014234 621727345 /nfs/dbraw/zinc/72/73/45/621727345.db2.gz NEQYAVXQJBSPHZ-OAQYLSRUSA-N 0 0 304.415 3.399 20 10 DGCDRN C[NH+](C)CCc1ccccc1NCc1ccc(F)c(F)c1[O-] ZINC000864032853 621729569 /nfs/dbraw/zinc/72/95/69/621729569.db2.gz VSCPEFNAONMECZ-UHFFFAOYSA-N 0 0 306.356 3.387 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2CC(C)(C)OC2(C)C)c1 ZINC000757630478 621729683 /nfs/dbraw/zinc/72/96/83/621729683.db2.gz KRKAZCCBFXREQZ-ABAIWWIYSA-N 0 0 321.417 3.176 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1cncc(F)c1 ZINC000757638771 621730446 /nfs/dbraw/zinc/73/04/46/621730446.db2.gz NKKVNQYWZALQSM-UWVGGRQHSA-N 0 0 305.309 3.246 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCCCS2)c1 ZINC000757659774 621732123 /nfs/dbraw/zinc/73/21/23/621732123.db2.gz ZJGGVUCOAFGFFP-WCQYABFASA-N 0 0 309.431 3.115 20 10 DGCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2cccc3c2OCO3)c1 ZINC000757659862 621732158 /nfs/dbraw/zinc/73/21/58/621732158.db2.gz SNGSNICTRREWHZ-JTQLQIEISA-N 0 0 315.325 3.081 20 10 DGCDRN CCc1cccc(CN2CCO[C@](C)(C(F)(F)F)C2)c1O ZINC000864054673 621732576 /nfs/dbraw/zinc/73/25/76/621732576.db2.gz YOPXVNSVHFEFLD-AWEZNQCLSA-N 0 0 303.324 3.108 20 10 DGCDRN C[C@@H]1CCc2ccccc2N1C(=O)COc1ccc(N(C)C)cc1 ZINC000757701834 621734587 /nfs/dbraw/zinc/73/45/87/621734587.db2.gz CUQQVHVOYMTOEM-OAHLLOKOSA-N 0 0 324.424 3.499 20 10 DGCDRN CCOc1cc(F)cc(/C=C2/SC(=S)N(CC)C2=O)c1 ZINC000864363672 621760922 /nfs/dbraw/zinc/76/09/22/621760922.db2.gz TWCHPCPIOYBTOE-KPKJPENVSA-N 0 0 311.403 3.446 20 10 DGCDRN CSc1ccc(S(=O)(=O)Nc2ccc(O)cc2F)cc1 ZINC000758169617 621762788 /nfs/dbraw/zinc/76/27/88/621762788.db2.gz VIXSRQARHGGSTQ-UHFFFAOYSA-N 0 0 313.375 3.054 20 10 DGCDRN Cc1csc(NC(=O)NCc2ccc3c(c2)CCCN3C)n1 ZINC000120079095 621770478 /nfs/dbraw/zinc/77/04/78/621770478.db2.gz GVLIAIPUWYVVHT-UHFFFAOYSA-N 0 0 316.430 3.156 20 10 DGCDRN CN(C)c1cc(F)c(C[NH2+][C@@H](CC(=O)[O-])C(C)(C)C)cc1F ZINC000864510575 621775864 /nfs/dbraw/zinc/77/58/64/621775864.db2.gz XGIBKPGMWVFTFJ-AWEZNQCLSA-N 0 0 314.376 3.010 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC000864525539 621779055 /nfs/dbraw/zinc/77/90/55/621779055.db2.gz DMJWURDSYMYVAU-WKILWMFISA-N 0 0 304.434 3.266 20 10 DGCDRN CC(C)CCc1nc(COC(=O)c2cccc(O)c2O)cs1 ZINC000758545740 621787882 /nfs/dbraw/zinc/78/78/82/621787882.db2.gz BKOOTKLLCIBYPE-UHFFFAOYSA-N 0 0 321.398 3.500 20 10 DGCDRN O=C(OCc1ncc(Cl)cc1Cl)c1cccc(O)c1O ZINC000758559020 621789460 /nfs/dbraw/zinc/78/94/60/621789460.db2.gz PCXKZVFLNBIHNW-UHFFFAOYSA-N 0 0 314.124 3.157 20 10 DGCDRN O=C(OCc1cc(Cl)nc(Cl)c1)c1cccc(O)c1O ZINC000758583370 621790439 /nfs/dbraw/zinc/79/04/39/621790439.db2.gz WSNNTEJBLHNUAR-UHFFFAOYSA-N 0 0 314.124 3.157 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)CC(F)(F)C(F)(F)F)cc1 ZINC000864633456 621794823 /nfs/dbraw/zinc/79/48/23/621794823.db2.gz HAJZPUBXOJYUQZ-UHFFFAOYSA-N 0 0 324.293 3.299 20 10 DGCDRN CC[C@]1(C)CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000758728359 621798238 /nfs/dbraw/zinc/79/82/38/621798238.db2.gz GWPFJRUGSIPEBO-LJQANCHMSA-N 0 0 315.461 3.401 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCC(C)(C)[C@@H]1CCCCO1 ZINC000758900283 621809509 /nfs/dbraw/zinc/80/95/09/621809509.db2.gz YCSXBQHAKOLWRA-INIZCTEOSA-N 0 0 320.433 3.129 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C2(c3ccccn3)CC2)cc1 ZINC000864926525 621831427 /nfs/dbraw/zinc/83/14/27/621831427.db2.gz JGEYDDDMTFEXQV-UHFFFAOYSA-N 0 0 323.440 3.276 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC1CSC1 ZINC000864949043 621835490 /nfs/dbraw/zinc/83/54/90/621835490.db2.gz FUTCIGJKONEZOH-UHFFFAOYSA-N 0 0 306.475 3.243 20 10 DGCDRN C[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)c1ccncc1 ZINC000865031319 621849432 /nfs/dbraw/zinc/84/94/32/621849432.db2.gz LTYDSBWNHUCJAR-INIZCTEOSA-N 0 0 323.440 3.492 20 10 DGCDRN CC/C=C(/F)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000865115229 621861372 /nfs/dbraw/zinc/86/13/72/621861372.db2.gz HFQADXPWFAGMTJ-AYSLTRBKSA-N 0 0 306.381 3.044 20 10 DGCDRN Oc1cccc(Br)c1CNc1ccc(C2CC2)nn1 ZINC000865291606 621890975 /nfs/dbraw/zinc/89/09/75/621890975.db2.gz PHDDFIULDGDMBW-UHFFFAOYSA-N 0 0 320.190 3.434 20 10 DGCDRN CCOc1ccc(CNc2nnc([C@@H]3CCCO3)s2)c(O)c1 ZINC000865295271 621892227 /nfs/dbraw/zinc/89/22/27/621892227.db2.gz BAAQKUTXTYIBHM-ZDUSSCGKSA-N 0 0 321.402 3.106 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCC[C@H](C)CO ZINC000759890493 621900447 /nfs/dbraw/zinc/90/04/47/621900447.db2.gz VQCVVNBGOZZXIG-LBPRGKRZSA-N 0 0 320.458 3.294 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)CC2(O)CCC2)cc1 ZINC000760075974 621914577 /nfs/dbraw/zinc/91/45/77/621914577.db2.gz MCYACTPGZQLLTH-UHFFFAOYSA-N 0 0 312.413 3.081 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2nc(Cl)ccc2F)c1 ZINC000760132396 621916388 /nfs/dbraw/zinc/91/63/88/621916388.db2.gz GGUYNFZJFQBFKG-MRVPVSSYSA-N 0 0 324.739 3.079 20 10 DGCDRN CCO[C@@H](CC(=O)NCc1ccc(N2CCCC2)cc1)C(C)C ZINC000760365913 621935707 /nfs/dbraw/zinc/93/57/07/621935707.db2.gz RNVUUUNIXDQWME-SFHVURJKSA-N 0 0 318.461 3.354 20 10 DGCDRN CCN(CC)c1ccc(CN[C@@H](C)C(=O)OCC(C)C)cc1 ZINC000789576106 625527255 /nfs/dbraw/zinc/52/72/55/625527255.db2.gz AROFNQZPPGENGD-HNNXBMFYSA-N 0 0 306.450 3.210 20 10 DGCDRN CCCCC[C@H](NCc1ccc(N(C)C)c(F)c1)C(=O)OC ZINC000789575463 625527616 /nfs/dbraw/zinc/52/76/16/625527616.db2.gz LIOVNHHWRGNJJY-HNNXBMFYSA-N 0 0 310.413 3.103 20 10 DGCDRN COc1ccc(N(Cc2cc(=O)c(OC)co2)CC(C)C)cc1 ZINC000760822876 621967329 /nfs/dbraw/zinc/96/73/29/621967329.db2.gz DMGXKVBVLYWVTR-UHFFFAOYSA-N 0 0 317.385 3.320 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CC2CSC2)cc1F ZINC000865636143 621967716 /nfs/dbraw/zinc/96/77/16/621967716.db2.gz KJJFPSAYMXVMGN-UHFFFAOYSA-N 0 0 310.438 3.041 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)c1 ZINC000865832414 622003350 /nfs/dbraw/zinc/00/33/50/622003350.db2.gz PPEZBYMXPIYXGE-VXGBXAGGSA-N 0 0 316.279 3.287 20 10 DGCDRN CCCN1C(=O)N(Cc2ccc(N(C)C)cc2C)C(=O)[C@@H]1CC ZINC000761359190 622003611 /nfs/dbraw/zinc/00/36/11/622003611.db2.gz VAJYLPOHHYONSW-INIZCTEOSA-N 0 0 317.433 3.014 20 10 DGCDRN CC[C@H](C[C@H](C)O)[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000865873736 622013298 /nfs/dbraw/zinc/01/32/98/622013298.db2.gz HNBGHGNLDCAHBQ-CMPLNLGQSA-N 0 0 316.239 3.102 20 10 DGCDRN C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@H](c2ccccc2)C1=O ZINC000761580440 622018922 /nfs/dbraw/zinc/01/89/22/622018922.db2.gz UEKSSSAIWOXGRX-SUMWQHHRSA-N 0 0 323.396 3.107 20 10 DGCDRN C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)N(C)C2(CCCC2)C1=O ZINC000761579900 622018953 /nfs/dbraw/zinc/01/89/53/622018953.db2.gz QLFFIAUYKXAYBB-ZDUSSCGKSA-N 0 0 315.417 3.020 20 10 DGCDRN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)NC2(CCCCC2)C1=O ZINC000761578793 622018982 /nfs/dbraw/zinc/01/89/82/622018982.db2.gz LDWQBTHWOBHRCD-CYBMUJFWSA-N 0 0 315.417 3.068 20 10 DGCDRN COc1ccc(NC(=O)N(C)Cc2ccccc2O)c(Cl)n1 ZINC000761686650 622024548 /nfs/dbraw/zinc/02/45/48/622024548.db2.gz ZQQOOJYGUVWCLW-UHFFFAOYSA-N 0 0 321.764 3.113 20 10 DGCDRN Cc1cncnc1-c1noc(-c2ccc(-n3cccc3)c(F)c2)n1 ZINC000762180215 622060401 /nfs/dbraw/zinc/06/04/01/622060401.db2.gz XUGOIBNHLNEKAD-UHFFFAOYSA-N 0 0 321.315 3.432 20 10 DGCDRN CN(C)c1ccc(CN[C@H]2c3ccccc3OC[C@H]2F)cc1 ZINC000866218642 622068337 /nfs/dbraw/zinc/06/83/37/622068337.db2.gz UXLIISBHLLJVOS-AEFFLSMTSA-N 0 0 300.377 3.314 20 10 DGCDRN CN(C)c1ccc(CN[C@H]2c3ccccc3OC[C@@H]2F)cc1F ZINC000866247993 622075328 /nfs/dbraw/zinc/07/53/28/622075328.db2.gz IWBCCIRSNACPTB-YJBOKZPZSA-N 0 0 318.367 3.453 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1ccnc(C(C)(C)C)n1 ZINC000762799780 622099530 /nfs/dbraw/zinc/09/95/30/622099530.db2.gz AMBIKHVPHZSCCW-LLVKDONJSA-N 0 0 301.390 3.228 20 10 DGCDRN C[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])CC1(C)OCCO1 ZINC000866425262 622115927 /nfs/dbraw/zinc/11/59/27/622115927.db2.gz KQZQORZATNWFNM-QWRGUYRKSA-N 0 0 315.360 3.110 20 10 DGCDRN C[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000866442103 622118575 /nfs/dbraw/zinc/11/85/75/622118575.db2.gz DRIXSWIYLRIYPJ-HZGVNTEJSA-N 0 0 314.159 3.366 20 10 DGCDRN CN(C)c1ccc(CNC(=O)COC/C=C\c2ccccc2)cc1 ZINC000763178356 622128190 /nfs/dbraw/zinc/12/81/90/622128190.db2.gz FKWCTUCRKYPBLR-TWGQIWQCSA-N 0 0 324.424 3.099 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866528968 622132319 /nfs/dbraw/zinc/13/23/19/622132319.db2.gz LFSQUEDTKFZJOI-STQMWFEESA-N 0 0 320.389 3.158 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1c2ccccc2CN1C)c1ccc(F)cc1[O-] ZINC000866563009 622138844 /nfs/dbraw/zinc/13/88/44/622138844.db2.gz IMNVLWLHCNVZJX-YVEFUNNKSA-N 0 0 300.377 3.369 20 10 DGCDRN COc1cccc(C(C)(C)C(=O)N(C)Cc2ccccc2O)c1 ZINC000866596139 622144035 /nfs/dbraw/zinc/14/40/35/622144035.db2.gz BKQPOWPVFIOQFX-UHFFFAOYSA-N 0 0 313.397 3.337 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCC(=O)[C@H](C)C2)cc1 ZINC000763926535 622169387 /nfs/dbraw/zinc/16/93/87/622169387.db2.gz SOFHBDLLOCNCTP-ZBFHGGJFSA-N 0 0 316.445 3.154 20 10 DGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cccc(F)n1 ZINC000764020988 622175373 /nfs/dbraw/zinc/17/53/73/622175373.db2.gz WNPUINUPTKYLKP-UHFFFAOYSA-N 0 0 313.376 3.141 20 10 DGCDRN CC[C@H]1CCCCN1C(=O)CN(C)c1ccc(OC)c(F)c1 ZINC000121819201 622184384 /nfs/dbraw/zinc/18/43/84/622184384.db2.gz NVECBZXRPNTCKN-ZDUSSCGKSA-N 0 0 308.397 3.062 20 10 DGCDRN COc1ccc(N(C)CC(=O)N2CCCC[C@H]2C)cc1Cl ZINC000121862284 622187052 /nfs/dbraw/zinc/18/70/52/622187052.db2.gz BAFPHPGEFPKXSC-GFCCVEGCSA-N 0 0 310.825 3.186 20 10 DGCDRN Cc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccccc2O)s1 ZINC000867834470 622187306 /nfs/dbraw/zinc/18/73/06/622187306.db2.gz IVXYELUDVGACFX-LLVKDONJSA-N 0 0 311.428 3.110 20 10 DGCDRN Cc1ccc(CS(=O)(=O)N[C@@H](C)c2ccccc2O)c(F)c1 ZINC000867836225 622187369 /nfs/dbraw/zinc/18/73/69/622187369.db2.gz JZNCASIMBBPJBI-LBPRGKRZSA-N 0 0 323.389 3.020 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccc(F)cn1 ZINC000764379999 622191025 /nfs/dbraw/zinc/19/10/25/622191025.db2.gz XYZZKWANFDQLBU-UHFFFAOYSA-N 0 0 317.364 3.048 20 10 DGCDRN COc1ccccc1CCNC(=O)N[C@@H](C)c1ccccc1O ZINC000867955844 622197001 /nfs/dbraw/zinc/19/70/01/622197001.db2.gz HXCXLAOMRKVTFU-ZDUSSCGKSA-N 0 0 314.385 3.004 20 10 DGCDRN C[C@@H](NC(=O)N[C@H]1C[C@@H]1c1cccc(F)c1)c1ccccc1O ZINC000868165220 622221156 /nfs/dbraw/zinc/22/11/56/622221156.db2.gz ZYEJTECMRHLWQG-LYRGGWFBSA-N 0 0 314.360 3.448 20 10 DGCDRN CC(C)n1cc([C@H](C)NC(=O)N[C@H](C)c2ccccc2O)cn1 ZINC000868244019 622228188 /nfs/dbraw/zinc/22/81/88/622228188.db2.gz QJFVMNZDFQICFU-QWHCGFSZSA-N 0 0 316.405 3.291 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)CCC(C)=O ZINC000764896317 622231072 /nfs/dbraw/zinc/23/10/72/622231072.db2.gz XQTJIKKUXBMJJZ-UHFFFAOYSA-N 0 0 318.461 3.497 20 10 DGCDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCc1cc(Br)ccc1O ZINC000868307142 622232274 /nfs/dbraw/zinc/23/22/74/622232274.db2.gz PTSIHNUGICJHEI-ZJNJWXDTSA-N 0 0 324.218 3.063 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1C[C@@]1(C)c1ccccc1)c1ccccc1O ZINC000868308892 622232846 /nfs/dbraw/zinc/23/28/46/622232846.db2.gz CTNBHDVQZNFSLK-IXDGSTSKSA-N 0 0 310.397 3.483 20 10 DGCDRN CCc1cnccc1[C@H](C)NC(=O)N[C@H](C)c1ccccc1O ZINC000868475929 622247456 /nfs/dbraw/zinc/24/74/56/622247456.db2.gz OPQLBAWZHKAMES-QWHCGFSZSA-N 0 0 313.401 3.471 20 10 DGCDRN CCc1cnccc1[C@H](C)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868475931 622247558 /nfs/dbraw/zinc/24/75/58/622247558.db2.gz OPQLBAWZHKAMES-STQMWFEESA-N 0 0 313.401 3.471 20 10 DGCDRN COCC[C@@H](NC(=O)N[C@H](C)c1ccccc1O)c1ccco1 ZINC000868486995 622248880 /nfs/dbraw/zinc/24/88/80/622248880.db2.gz NRKKZAQMSMAFHB-TZMCWYRMSA-N 0 0 318.373 3.123 20 10 DGCDRN C[C@H](NCc1cnn(-c2ccccc2)n1)c1ccc(N(C)C)cc1 ZINC000765142303 622249611 /nfs/dbraw/zinc/24/96/11/622249611.db2.gz ISNISODQUQNFDL-HNNXBMFYSA-N 0 0 321.428 3.184 20 10 DGCDRN C[C@H](NC(=O)NCC[C@H]1CCSC1)c1ccc(N(C)C)cc1 ZINC000868515952 622253091 /nfs/dbraw/zinc/25/30/91/622253091.db2.gz XRFBOJOGRYYZCK-KBPBESRZSA-N 0 0 321.490 3.256 20 10 DGCDRN CC(C)[C@H](NC(=O)N[C@H](C)c1ccccc1O)C(F)(F)F ZINC000868530709 622254633 /nfs/dbraw/zinc/25/46/33/622254633.db2.gz PBHRVCIQWRKAMH-SKDRFNHKSA-N 0 0 304.312 3.339 20 10 DGCDRN C[C@H](NC(=O)NCC1(C(F)(F)F)CC1)c1ccccc1O ZINC000868601367 622262865 /nfs/dbraw/zinc/26/28/65/622262865.db2.gz NCYAOJOWFDNWQQ-VIFPVBQESA-N 0 0 302.296 3.095 20 10 DGCDRN CCN1C(=O)/C(=C\c2ncccc2C(F)(F)F)SC1=S ZINC000765499372 622268668 /nfs/dbraw/zinc/26/86/68/622268668.db2.gz INWNGBHQYPRHEL-RMKNXTFCSA-N 0 0 318.345 3.322 20 10 DGCDRN C[C@H](NC(=O)NCC(C)(C)c1ccccn1)c1ccccc1O ZINC000868661172 622269900 /nfs/dbraw/zinc/26/99/00/622269900.db2.gz FXUIXXPWSQJQHN-ZDUSSCGKSA-N 0 0 313.401 3.125 20 10 DGCDRN C[C@H](NC(=O)NC[C@]1(C)CC1(Cl)Cl)c1ccccc1O ZINC000868669535 622270911 /nfs/dbraw/zinc/27/09/11/622270911.db2.gz YYRBSDZKAIHXLO-ZANVPECISA-N 0 0 317.216 3.336 20 10 DGCDRN CC(C)[C@H]1C[C@@H](CNC(=O)N[C@H](C)c2ccccc2O)CCO1 ZINC000868671728 622271357 /nfs/dbraw/zinc/27/13/57/622271357.db2.gz CMIOCPSQIUXEAU-JKIFEVAISA-N 0 0 320.433 3.204 20 10 DGCDRN CC(C)SCCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000805308270 622276426 /nfs/dbraw/zinc/27/64/26/622276426.db2.gz BCVGHPWJMAOWKC-CYBMUJFWSA-N 0 0 309.479 3.254 20 10 DGCDRN C[C@H](NC(=O)NCC[C@]1(C)C[C@]1(F)Cl)c1ccccc1O ZINC000868742833 622279573 /nfs/dbraw/zinc/27/95/73/622279573.db2.gz DSSMXMDXTMCUMU-COLVAYQJSA-N 0 0 314.788 3.457 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H](C1CC1)[C@@H]1CCCCO1)c1ccccc1O ZINC000868750271 622280501 /nfs/dbraw/zinc/28/05/01/622280501.db2.gz ITHYMCUNPZZAPO-DQYPLSBCSA-N 0 0 318.417 3.100 20 10 DGCDRN C[C@@H](NC(=O)N[C@H](C1CC1)[C@H]1CCCCO1)c1ccccc1O ZINC000868750270 622280659 /nfs/dbraw/zinc/28/06/59/622280659.db2.gz ITHYMCUNPZZAPO-CSMYWGQOSA-N 0 0 318.417 3.100 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1Cc2ccccc2[C@@H]1C)c1ccccc1O ZINC000868766716 622282946 /nfs/dbraw/zinc/28/29/46/622282946.db2.gz CSGXAYQITPIFQV-GDZNZVCISA-N 0 0 310.397 3.481 20 10 DGCDRN C[C@H](NC(=O)NCCC1(F)CCC1)c1ccc(N(C)C)cc1 ZINC000805310398 622283037 /nfs/dbraw/zinc/28/30/37/622283037.db2.gz SCGMYIFUNRCTRG-ZDUSSCGKSA-N 0 0 307.413 3.395 20 10 DGCDRN O=C(NCc1cccc(Br)c1O)c1cccc(F)c1 ZINC000765758287 622285308 /nfs/dbraw/zinc/28/53/08/622285308.db2.gz UYKPOQFHKYFIAN-UHFFFAOYSA-N 0 0 324.149 3.224 20 10 DGCDRN CO[C@@H](CNC(=O)N[C@@H](C)c1ccccc1O)C1CCCCC1 ZINC000868788805 622285412 /nfs/dbraw/zinc/28/54/12/622285412.db2.gz XVGSFCFWTKRBCW-GUYCJALGSA-N 0 0 320.433 3.348 20 10 DGCDRN COc1ccc(O)c(CNC(=O)/C=C\c2ccc3[nH]ccc3c2)c1 ZINC000765863693 622291712 /nfs/dbraw/zinc/29/17/12/622291712.db2.gz JKUPUNPGJLGVOY-CLTKARDFSA-N 0 0 322.364 3.212 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2CCCC1CCOCC1 ZINC000765949904 622295883 /nfs/dbraw/zinc/29/58/83/622295883.db2.gz LUABUTRIXPAXEI-UHFFFAOYSA-N 0 0 304.434 3.158 20 10 DGCDRN CCOc1ccc(CNc2cccc3c2OCC[C@@H]3O)c(O)c1 ZINC000766086521 622304503 /nfs/dbraw/zinc/30/45/03/622304503.db2.gz ZGSUEVOODCRBIJ-INIZCTEOSA-N 0 0 315.369 3.219 20 10 DGCDRN Cc1nccn1CCN1CCCc2cc(OC(F)F)ccc21 ZINC000766251758 622315108 /nfs/dbraw/zinc/31/51/08/622315108.db2.gz YBQLEFKHOMZGEY-UHFFFAOYSA-N 0 0 307.344 3.246 20 10 DGCDRN COc1ccc2c(c1)CCCN2CN1C(=O)[C@H]2CCCCC[C@@H]21 ZINC000766341055 622322871 /nfs/dbraw/zinc/32/28/71/622322871.db2.gz JYRCOOCTGCRGHN-WMZOPIPTSA-N 0 0 314.429 3.196 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CC[C@H](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000766442844 622330155 /nfs/dbraw/zinc/33/01/55/622330155.db2.gz MZUXGIHIGHAHSX-XEBOPQQMSA-N 0 0 318.373 3.263 20 10 DGCDRN [O-]c1c(Br)cccc1C[NH2+]C1CCSCC1 ZINC000122728826 622397089 /nfs/dbraw/zinc/39/70/89/622397089.db2.gz LCEZRQZAKHSQQA-UHFFFAOYSA-N 0 0 302.237 3.140 20 10 DGCDRN CN1C(=O)/C(=C/c2cncs2)c2cc(Br)ccc21 ZINC000767717941 622418501 /nfs/dbraw/zinc/41/85/01/622418501.db2.gz IBFMCAWMNFVXGW-VZUCSPMQSA-N 0 0 321.199 3.423 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(C(C)=O)c2)c1 ZINC000767957416 622430561 /nfs/dbraw/zinc/43/05/61/622430561.db2.gz HNIZCCGZAUMRLJ-LLVKDONJSA-N 0 0 313.353 3.094 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)c1cccc(-c2ccoc2)c1 ZINC000122932247 622432315 /nfs/dbraw/zinc/43/23/15/622432315.db2.gz FSJJXUCKSYHYKN-UHFFFAOYSA-N 0 0 323.348 3.330 20 10 DGCDRN CN(C)c1ccc(CN2CCO[C@@H](c3ccccc3)C2)cc1F ZINC000768235642 622447028 /nfs/dbraw/zinc/44/70/28/622447028.db2.gz BULGCCHBJGPPKX-LJQANCHMSA-N 0 0 314.404 3.465 20 10 DGCDRN CC(C)(C)CC(=O)N1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000768252726 622447622 /nfs/dbraw/zinc/44/76/22/622447622.db2.gz NMEVOUOJPZWZTM-UHFFFAOYSA-N 0 0 324.852 3.126 20 10 DGCDRN CCC1(CC)CN(C(=O)/C=C\c2ccc(O)c(O)c2)CCS1 ZINC000768540099 622463296 /nfs/dbraw/zinc/46/32/96/622463296.db2.gz RGHVDVFLPLTVNH-VURMDHGXSA-N 0 0 321.442 3.245 20 10 DGCDRN CCCCCn1cc(CNC(=O)C2=CC(=O)CS2)c(C)n1 ZINC000768561283 622464905 /nfs/dbraw/zinc/46/49/05/622464905.db2.gz GTYUZYAHWHAJHV-UHFFFAOYSA-N 0 0 307.419 3.079 20 10 DGCDRN COCC[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC(C)C ZINC000768586841 622466103 /nfs/dbraw/zinc/46/61/03/622466103.db2.gz DETFUAQWBLFGEJ-UHFFFAOYSA-N 0 0 316.785 3.058 20 10 DGCDRN COCc1ccc([C@H]2CCCN2C(=O)C2=CC(=O)CS2)o1 ZINC000768737461 622473189 /nfs/dbraw/zinc/47/31/89/622473189.db2.gz PSLNBVIDJYWMEC-GFCCVEGCSA-N 0 0 307.371 3.170 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@H]2CCC(C)(C)C2)cc1F ZINC000768764282 622475509 /nfs/dbraw/zinc/47/55/09/622475509.db2.gz MWLDVPOXSLTQAC-ZDUSSCGKSA-N 0 0 307.413 3.270 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H](F)c1ccccc1 ZINC000769000594 622491423 /nfs/dbraw/zinc/49/14/23/622491423.db2.gz CLWLIXRLDJDPMZ-QGZVFWFLSA-N 0 0 300.377 3.388 20 10 DGCDRN COc1cccc(O)c1CN1CCO[C@@H](c2ccccc2F)C1 ZINC000769309309 622515933 /nfs/dbraw/zinc/51/59/33/622515933.db2.gz ULRVEARHPWYGOU-GOSISDBHSA-N 0 0 317.360 3.113 20 10 DGCDRN CC(C)(C)OC(=O)[C@@H]1CCCN1Cc1cc(Cl)ccc1O ZINC000769326824 622518067 /nfs/dbraw/zinc/51/80/67/622518067.db2.gz PHMRGRIYPBNINL-ZDUSSCGKSA-N 0 0 311.809 3.352 20 10 DGCDRN CCOc1ccc(CN2CCC[C@H]2C(=O)OC(C)(C)C)c(O)c1 ZINC000769326336 622518205 /nfs/dbraw/zinc/51/82/05/622518205.db2.gz JOFMJSUOQUMMLR-HNNXBMFYSA-N 0 0 321.417 3.097 20 10 DGCDRN O=C(CCOc1cccc(Cl)c1)NCc1ccccc1O ZINC000769362052 622520703 /nfs/dbraw/zinc/52/07/03/622520703.db2.gz DIKVFKZSQVOFCN-UHFFFAOYSA-N 0 0 305.761 3.131 20 10 DGCDRN O=C(/C=C/c1nc2ccccc2s1)NCc1ccccc1O ZINC000769361836 622520710 /nfs/dbraw/zinc/52/07/10/622520710.db2.gz AYGUQKGCKUUKMK-MDZDMXLPSA-N 0 0 310.378 3.332 20 10 DGCDRN C[C@@H]1CN(Cc2c(O)cccc2Cl)C[C@@H](C(F)(F)F)O1 ZINC000769495441 622533920 /nfs/dbraw/zinc/53/39/20/622533920.db2.gz FTMWOYNESIEADB-PELKAZGASA-N 0 0 309.715 3.197 20 10 DGCDRN C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@@H](C(F)(F)F)O1 ZINC000769497564 622534026 /nfs/dbraw/zinc/53/40/26/622534026.db2.gz QZAPBZQQNISMCA-YGRLFVJLSA-N 0 0 320.330 3.043 20 10 DGCDRN CN(C)c1ccc(CN2CCOC3(CCCCC3)C2)cc1F ZINC000769493531 622534032 /nfs/dbraw/zinc/53/40/32/622534032.db2.gz VCKUYNHGNADVNQ-UHFFFAOYSA-N 0 0 306.425 3.427 20 10 DGCDRN COc1cccc(O)c1CN1CCO[C@@H](c2ccsc2)C1 ZINC000769513386 622536341 /nfs/dbraw/zinc/53/63/41/622536341.db2.gz CKXBMYKPTRJJGM-MRXNPFEDSA-N 0 0 305.399 3.036 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2c[nH]nc2-c2ccoc2)cc1 ZINC000789881520 625574828 /nfs/dbraw/zinc/57/48/28/625574828.db2.gz QLVWVPANLXLGQV-UHFFFAOYSA-N 0 0 324.384 3.008 20 10 DGCDRN CC[C@@H](OC1CCCCC1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871202800 622567057 /nfs/dbraw/zinc/56/70/57/622567057.db2.gz GLLKBSJULGCLSS-QGZVFWFLSA-N 0 0 303.402 3.362 20 10 DGCDRN CC(C)(C)CCC1(O)CC(C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871205205 622567852 /nfs/dbraw/zinc/56/78/52/622567852.db2.gz RNEGIPYQQTWPSI-UHFFFAOYSA-N 0 0 317.429 3.202 20 10 DGCDRN CC[C@H](Oc1ccccc1C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871204322 622567879 /nfs/dbraw/zinc/56/78/79/622567879.db2.gz YAMAKFQHVPWUNE-KRWDZBQOSA-N 0 0 311.381 3.400 20 10 DGCDRN C[C@@]1(CC(=O)N2Cc3cccc(O)c3C2)CC1(Cl)Cl ZINC000871206208 622567960 /nfs/dbraw/zinc/56/79/60/622567960.db2.gz WDABLGIZYTULMY-CYBMUJFWSA-N 0 0 300.185 3.208 20 10 DGCDRN CCCCn1ncc(C(=O)N2Cc3cccc(O)c3C2)c1CC ZINC000871204457 622568172 /nfs/dbraw/zinc/56/81/72/622568172.db2.gz KITHYKFSSALYKV-UHFFFAOYSA-N 0 0 313.401 3.107 20 10 DGCDRN Cc1cnc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000770614080 622652956 /nfs/dbraw/zinc/65/29/56/622652956.db2.gz CQQDUFFUKMEVPE-GJZGRUSLSA-N 0 0 315.417 3.231 20 10 DGCDRN Cc1cc(C(=O)NC[C@H](O)C(C)C)c(C)n1-c1ccccc1C ZINC000770624609 622653685 /nfs/dbraw/zinc/65/36/85/622653685.db2.gz LGMMCWDASNAMIC-SFHVURJKSA-N 0 0 314.429 3.149 20 10 DGCDRN CCOC(=O)C1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000770665805 622658805 /nfs/dbraw/zinc/65/88/05/622658805.db2.gz OXRBZQCPLYIZDS-UHFFFAOYSA-N 0 0 318.200 3.132 20 10 DGCDRN O=C(CCCC(F)(F)F)NCCCSc1nccs1 ZINC000770752287 622666941 /nfs/dbraw/zinc/66/69/41/622666941.db2.gz KKXFPTVDMAXXNM-UHFFFAOYSA-N 0 0 312.382 3.474 20 10 DGCDRN Cc1cc([C@@H](C)NC(=O)c2c(F)ccc(O)c2O)c(C)s1 ZINC000789952470 625586513 /nfs/dbraw/zinc/58/65/13/625586513.db2.gz FCOIKWVWWKNPLG-MRVPVSSYSA-N 0 0 309.362 3.406 20 10 DGCDRN O=C(NC[C@H]1CCCc2ccccc21)c1c(F)ccc(O)c1O ZINC000789954058 625586898 /nfs/dbraw/zinc/58/68/98/625586898.db2.gz AQOVQCMXHSFEEO-GFCCVEGCSA-N 0 0 315.344 3.087 20 10 DGCDRN CCCOc1ccc(C[NH2+]C[C@@H](CC2CC2)C(=O)[O-])cc1C ZINC000871874276 622725371 /nfs/dbraw/zinc/72/53/71/622725371.db2.gz KAZBFEZKILESNH-MRXNPFEDSA-N 0 0 305.418 3.374 20 10 DGCDRN CCCOc1ccc(C[NH2+]C[C@H](CC2CC2)C(=O)[O-])cc1C ZINC000871874275 622725463 /nfs/dbraw/zinc/72/54/63/622725463.db2.gz KAZBFEZKILESNH-INIZCTEOSA-N 0 0 305.418 3.374 20 10 DGCDRN Cc1cc(C)cc(C[C@H](C)NC(=O)c2c(F)ccc(O)c2O)c1 ZINC000789986971 625591337 /nfs/dbraw/zinc/59/13/37/625591337.db2.gz NYDCVTXBBQFWKF-LBPRGKRZSA-N 0 0 317.360 3.215 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccncc2C)cc1F ZINC000771335089 622743400 /nfs/dbraw/zinc/74/34/00/622743400.db2.gz PXCXJGYEZIZLJO-UHFFFAOYSA-N 0 0 315.392 3.305 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1ncn(-c2ccccc2)n1 ZINC000771442964 622759696 /nfs/dbraw/zinc/75/96/96/622759696.db2.gz FKOXRVDFEAOXLE-UHFFFAOYSA-N 0 0 320.396 3.229 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2cccc(=O)[nH]2)cc1 ZINC000771500433 622768962 /nfs/dbraw/zinc/76/89/62/622768962.db2.gz SZDXVKITFCIXRG-UHFFFAOYSA-N 0 0 321.380 3.125 20 10 DGCDRN CCCOC(=O)[C@H](C)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000771790435 622796275 /nfs/dbraw/zinc/79/62/75/622796275.db2.gz CFVNAIBOSCOCLB-HNNXBMFYSA-N 0 0 306.450 3.305 20 10 DGCDRN Cc1cc(Br)cc(C=C2SC(=S)NC2=O)c1 ZINC000772175980 622856992 /nfs/dbraw/zinc/85/69/92/622856992.db2.gz IMIKPHQZMBFHQB-WEVVVXLNSA-N 0 0 314.229 3.246 20 10 DGCDRN CCCCOc1ccccc1NC[C@H](O)C[C@](C)(O)C1CC1 ZINC000872210492 622857670 /nfs/dbraw/zinc/85/76/70/622857670.db2.gz BMWRFVTWXGFUIW-QAPCUYQASA-N 0 0 307.434 3.189 20 10 DGCDRN CN(C)c1ccc(CNC(=O)COC/C=C/c2ccccc2)cc1 ZINC000124024520 622880566 /nfs/dbraw/zinc/88/05/66/622880566.db2.gz FKWCTUCRKYPBLR-RMKNXTFCSA-N 0 0 324.424 3.099 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(C(C)=O)o1 ZINC000772374701 622890172 /nfs/dbraw/zinc/89/01/72/622890172.db2.gz BOEUUHDHVFCJGG-UHFFFAOYSA-N 0 0 301.342 3.240 20 10 DGCDRN CC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000772588983 622914914 /nfs/dbraw/zinc/91/49/14/622914914.db2.gz WTMQTPVEZSBTED-LLVKDONJSA-N 0 0 300.358 3.039 20 10 DGCDRN CO[C@@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000772992774 622962227 /nfs/dbraw/zinc/96/22/27/622962227.db2.gz AOTKCCPVLZAKKV-RDTXWAMCSA-N 0 0 312.413 3.318 20 10 DGCDRN CC(C)c1nn(C)cc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773005632 622964766 /nfs/dbraw/zinc/96/47/66/622964766.db2.gz CFOURZFNLFWNOU-ZDUSSCGKSA-N 0 0 314.433 3.101 20 10 DGCDRN CC(C)c1ncncc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773008275 622965336 /nfs/dbraw/zinc/96/53/36/622965336.db2.gz MWHKCKKKNBPZEN-CYBMUJFWSA-N 0 0 312.417 3.157 20 10 DGCDRN CC[C@@H]1C[C@H](C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000773017134 622967860 /nfs/dbraw/zinc/96/78/60/622967860.db2.gz UJHMQONJNASWMZ-FRFSOERESA-N 0 0 304.434 3.135 20 10 DGCDRN C[C@H](NC(=O)[C@@H]1CCOc2ccccc21)c1ccc(N(C)C)cc1 ZINC000773016268 622968188 /nfs/dbraw/zinc/96/81/88/622968188.db2.gz AQJZAEZRZUDQSY-KBXCAEBGSA-N 0 0 324.424 3.496 20 10 DGCDRN Cc1ccc(CCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000773021110 622968977 /nfs/dbraw/zinc/96/89/77/622968977.db2.gz YFONQNZSHASRRG-CQSZACIVSA-N 0 0 300.402 3.464 20 10 DGCDRN CCC[C@@H](C)CS(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773087196 622981411 /nfs/dbraw/zinc/98/14/11/622981411.db2.gz GYEGWNPEGCMEGA-KGLIPLIRSA-N 0 0 312.479 3.169 20 10 DGCDRN C[C@@H](NC(=O)NCCCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773348029 623015122 /nfs/dbraw/zinc/01/51/22/623015122.db2.gz ZMVNNDWPCOYIMJ-LLVKDONJSA-N 0 0 317.355 3.455 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1CCOC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000773417696 623025133 /nfs/dbraw/zinc/02/51/33/623025133.db2.gz LLOGBMMLQSERJN-ZFWWWQNUSA-N 0 0 319.449 3.070 20 10 DGCDRN C[C@H](CC(F)(F)F)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773447403 623028117 /nfs/dbraw/zinc/02/81/17/623028117.db2.gz IVGPOZAINUGEFC-GHMZBOCLSA-N 0 0 317.355 3.454 20 10 DGCDRN C[C@@H](NC(=O)N1CC[C@H](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000773615374 623051600 /nfs/dbraw/zinc/05/16/00/623051600.db2.gz WLPPVQAHXLSCGE-CJNGLKHVSA-N 0 0 301.434 3.255 20 10 DGCDRN C[C@H](NC(=O)NCc1ccccc1O)c1ccc(N(C)C)cc1 ZINC000773621561 623051935 /nfs/dbraw/zinc/05/19/35/623051935.db2.gz ZKNZVLRSNBPDCS-ZDUSSCGKSA-N 0 0 313.401 3.019 20 10 DGCDRN CCOC(=O)[C@@H]1CCCCN1Cc1ccc(N(C)CC)cc1 ZINC000773732842 623064437 /nfs/dbraw/zinc/06/44/37/623064437.db2.gz UEYFFPZSJZGFPM-KRWDZBQOSA-N 0 0 304.434 3.060 20 10 DGCDRN C[C@@H](NC(=O)c1cccnc1Cl)c1ccc(N(C)C)cc1 ZINC000773989766 623096891 /nfs/dbraw/zinc/09/68/91/623096891.db2.gz QZXVPWGFONXTQZ-LLVKDONJSA-N 0 0 303.793 3.292 20 10 DGCDRN CC1(C)C[C@]1(C(=O)NCc1ccc(N)cc1)c1ccc(F)cc1 ZINC000873298775 623108596 /nfs/dbraw/zinc/10/85/96/623108596.db2.gz LOFBRBLTJPZIRN-LJQANCHMSA-N 0 0 312.388 3.392 20 10 DGCDRN Nc1ccc(NC(=O)N2CC[C@]3(CCc4ccccc43)C2)cc1 ZINC000873328669 623112965 /nfs/dbraw/zinc/11/29/65/623112965.db2.gz SHMPBWOWECBKPD-LJQANCHMSA-N 0 0 307.397 3.391 20 10 DGCDRN Cc1conc1COC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000873337551 623114480 /nfs/dbraw/zinc/11/44/80/623114480.db2.gz PRWSFYCUGRLHIA-UHFFFAOYSA-N 0 0 317.370 3.149 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2ccnc(Cl)c2)cc1F ZINC000124489601 623122188 /nfs/dbraw/zinc/12/21/88/623122188.db2.gz PZEOPYUGSCYMSA-UHFFFAOYSA-N 0 0 322.771 3.262 20 10 DGCDRN CSCCCNC(=S)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774252888 623125221 /nfs/dbraw/zinc/12/52/21/623125221.db2.gz DLCONWLMHATTQW-GFCCVEGCSA-N 0 0 311.520 3.031 20 10 DGCDRN CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C1CCCCC1 ZINC000774820524 623196427 /nfs/dbraw/zinc/19/64/27/623196427.db2.gz CHRKMDGLQDZVOM-UHFFFAOYSA-N 0 0 308.378 3.464 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2C[C@H](C)CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000774905801 623206986 /nfs/dbraw/zinc/20/69/86/623206986.db2.gz RVWQDDWSTQEEHM-VXGBXAGGSA-N 0 0 308.378 3.320 20 10 DGCDRN COc1c(O)c(CNc2ccc(C)cc2F)ccc1[N+](=O)[O-] ZINC000774927600 623208880 /nfs/dbraw/zinc/20/88/80/623208880.db2.gz HZICXJKXWKPYQZ-UHFFFAOYSA-N 0 0 306.293 3.369 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@@H]2C[C@H]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000775049117 623220838 /nfs/dbraw/zinc/22/08/38/623220838.db2.gz SNWNIHATRXKQIL-UONOGXRCSA-N 0 0 320.389 3.367 20 10 DGCDRN CCC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775058980 623223380 /nfs/dbraw/zinc/22/33/80/623223380.db2.gz FYOVGQBVOQCXGE-ZDUSSCGKSA-N 0 0 308.378 3.464 20 10 DGCDRN COc1cc(NCc2ccc([N+](=O)[O-])c(OC)c2O)ccc1F ZINC000775098053 623230839 /nfs/dbraw/zinc/23/08/39/623230839.db2.gz QADPWXSCXSWFFT-UHFFFAOYSA-N 0 0 322.292 3.069 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2C[C@H](C)C[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000775111283 623232094 /nfs/dbraw/zinc/23/20/94/623232094.db2.gz OAJYHSDIPFSPFN-IJLUTSLNSA-N 0 0 308.378 3.175 20 10 DGCDRN COc1cccc(O)c1CNc1ccc(C(=O)N(C)C)c(C)c1 ZINC000775117352 623233186 /nfs/dbraw/zinc/23/31/86/623233186.db2.gz CPCWCBRSFICDHI-UHFFFAOYSA-N 0 0 314.385 3.023 20 10 DGCDRN COc1cc(Cl)ccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000775356162 623259096 /nfs/dbraw/zinc/25/90/96/623259096.db2.gz FSWCRYTWPAHBAV-CLTKARDFSA-N 0 0 319.744 3.412 20 10 DGCDRN C[C@H](NC(=O)c1ccc2c(c1)ncn2C)c1ccc(N(C)C)cc1 ZINC000775409941 623271109 /nfs/dbraw/zinc/27/11/09/623271109.db2.gz IURIWZDACHYKLG-ZDUSSCGKSA-N 0 0 322.412 3.130 20 10 DGCDRN Cc1ccc(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1O ZINC000775412560 623271631 /nfs/dbraw/zinc/27/16/31/623271631.db2.gz YNNUGTKPDVOOPZ-CQSZACIVSA-N 0 0 312.413 3.187 20 10 DGCDRN Cc1csc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775425908 623273557 /nfs/dbraw/zinc/27/35/57/623273557.db2.gz JGGBHNXPLBQDQC-NSHDSACASA-N 0 0 304.419 3.400 20 10 DGCDRN Cc1nnc(N(C)Cc2ccc(N3CCCCC3)cc2)nc1C ZINC000775422298 623273589 /nfs/dbraw/zinc/27/35/89/623273589.db2.gz PKZKLFHRZBAWJI-UHFFFAOYSA-N 0 0 311.433 3.115 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H]1COCCO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775490334 623279758 /nfs/dbraw/zinc/27/97/58/623279758.db2.gz BYHFOBCDKFICFZ-SKDRFNHKSA-N 0 0 320.216 3.155 20 10 DGCDRN CC[C@H]([NH2+]Cc1nnc(-c2ccccc2)[n-]1)c1ccccc1O ZINC000775542337 623286716 /nfs/dbraw/zinc/28/67/16/623286716.db2.gz NSNZAYHQDWQQOS-HNNXBMFYSA-N 0 0 308.385 3.418 20 10 DGCDRN CN(C)c1ccc(NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000125056146 623294458 /nfs/dbraw/zinc/29/44/58/623294458.db2.gz CAZRYTMIMMQMCC-UHFFFAOYSA-N 0 0 311.429 3.201 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1CN1CC[NH+](C2CCCC2)CC1 ZINC000775647846 623303167 /nfs/dbraw/zinc/30/31/67/623303167.db2.gz DENQOWDAFHHDIP-UHFFFAOYSA-N 0 0 312.816 3.245 20 10 DGCDRN Cc1cc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)sn1 ZINC000775657074 623306667 /nfs/dbraw/zinc/30/66/67/623306667.db2.gz FQUSVERDPOPJAS-LLVKDONJSA-N 0 0 304.419 3.400 20 10 DGCDRN Cc1cc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)cn1 ZINC000775698189 623315910 /nfs/dbraw/zinc/31/59/10/623315910.db2.gz UDZFFUGWCWSRHK-AWEZNQCLSA-N 0 0 312.417 3.069 20 10 DGCDRN COc1ncc(/C=C/C(=O)N(C)c2ccc3ccccc3c2)cn1 ZINC000775771595 623328989 /nfs/dbraw/zinc/32/89/89/623328989.db2.gz BTDGLEYKILGHAV-JXMROGBWSA-N 0 0 319.364 3.315 20 10 DGCDRN COc1ncc(/C=C\C(=O)N2CC[C@H](C)c3ccccc32)cn1 ZINC000775799710 623334179 /nfs/dbraw/zinc/33/41/79/623334179.db2.gz MBBGXKOLGYKTLY-WSROAFLRSA-N 0 0 309.369 3.039 20 10 DGCDRN COc1ncc(/C=C\C(=O)N2CCCCCc3ccccc32)cn1 ZINC000775866833 623343709 /nfs/dbraw/zinc/34/37/09/623343709.db2.gz MFTHOTJAMHDCOW-KHPPLWFESA-N 0 0 323.396 3.258 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCCCCCO ZINC000775865455 623344025 /nfs/dbraw/zinc/34/40/25/623344025.db2.gz BEZHUKXANWGIAC-UHFFFAOYSA-N 0 0 320.458 3.438 20 10 DGCDRN CCn1ncc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1C ZINC000874819923 623359806 /nfs/dbraw/zinc/35/98/06/623359806.db2.gz PUOJWKWPYLYMCL-UHFFFAOYSA-N 0 0 323.400 3.266 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[N@H+](C)C[C@@H]2CCCO2)c1 ZINC000775983592 623360096 /nfs/dbraw/zinc/36/00/96/623360096.db2.gz MGVPTOBCECRSQT-LBPRGKRZSA-N 0 0 314.223 3.074 20 10 DGCDRN COc1c(Cl)cc(Cl)cc1C=C1SC(=O)NC1=O ZINC000874929006 623393410 /nfs/dbraw/zinc/39/34/10/623393410.db2.gz ZLEWUGHWDMPQLC-FPYGCLRLSA-N 0 0 304.154 3.326 20 10 DGCDRN C[C@@](O)(C[NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccsc1 ZINC000776208717 623396788 /nfs/dbraw/zinc/39/67/88/623396788.db2.gz KVERLOYYTUKFCC-CQSZACIVSA-N 0 0 315.797 3.244 20 10 DGCDRN CCCCN(CCOC)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776244116 623400985 /nfs/dbraw/zinc/40/09/85/623400985.db2.gz FIBWNDRZMNAJOK-HNNXBMFYSA-N 0 0 321.465 3.272 20 10 DGCDRN CO[C@@H](C)CN(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000776237585 623401029 /nfs/dbraw/zinc/40/10/29/623401029.db2.gz CFQYQBUFBWKKNL-LSDHHAIUSA-N 0 0 321.465 3.269 20 10 DGCDRN C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776253328 623401801 /nfs/dbraw/zinc/40/18/01/623401801.db2.gz MFVUBJUKLSMPKG-RNCFNFMXSA-N 0 0 313.756 3.380 20 10 DGCDRN CC(C)[C@@H](NCc1ccc(N(C)C)c(F)c1)C(=O)OC(C)(C)C ZINC000776256733 623402658 /nfs/dbraw/zinc/40/26/58/623402658.db2.gz HNXHHJPUPCZVAH-MRXNPFEDSA-N 0 0 324.440 3.348 20 10 DGCDRN CCCc1ccc(C(=O)COC(=O)c2cccc(O)c2O)cc1 ZINC000776283090 623406767 /nfs/dbraw/zinc/40/67/67/623406767.db2.gz HLYMDDIQWHENTF-UHFFFAOYSA-N 0 0 314.337 3.090 20 10 DGCDRN CCc1ccc(C(=O)[C@@H](C)OC(=O)c2cccc(O)c2O)cc1 ZINC000776282106 623407038 /nfs/dbraw/zinc/40/70/38/623407038.db2.gz OLCACSHDQVDHPW-LLVKDONJSA-N 0 0 314.337 3.088 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000776295180 623408157 /nfs/dbraw/zinc/40/81/57/623408157.db2.gz LWWWYDINPWFXHA-KRWDZBQOSA-N 0 0 315.394 3.115 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCO[C@@H](C)C2)cc1 ZINC000776294007 623408488 /nfs/dbraw/zinc/40/84/88/623408488.db2.gz LSSFPRSQTKSFHU-RDJZCZTQSA-N 0 0 318.461 3.306 20 10 DGCDRN C[C@@H](c1ccco1)N(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000125333572 623429265 /nfs/dbraw/zinc/42/92/65/623429265.db2.gz GJQOCGUYXGQVOI-LBPRGKRZSA-N 0 0 319.380 3.387 20 10 DGCDRN COC[C@H](NC(=O)N[C@H](C)c1ccccc1O)c1ccc(C)o1 ZINC000875335023 623438234 /nfs/dbraw/zinc/43/82/34/623438234.db2.gz QIIBIBDFPLIAFZ-OCCSQVGLSA-N 0 0 318.373 3.042 20 10 DGCDRN C[C@@H](NC(=O)NCC(C)(C)c1ccncc1)c1ccccc1O ZINC000875443874 623451569 /nfs/dbraw/zinc/45/15/69/623451569.db2.gz BVFFFNXJPOPICU-CYBMUJFWSA-N 0 0 313.401 3.125 20 10 DGCDRN C[C@@H](NC(=O)N1OC2CCC1CC2)c1ccc(N(C)C)cc1 ZINC000875507832 623457485 /nfs/dbraw/zinc/45/74/85/623457485.db2.gz LJRRADVBCUARJT-UWTIGNOOSA-N 0 0 303.406 3.082 20 10 DGCDRN CC(C)[C@@H](CC(F)(F)F)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875520842 623459424 /nfs/dbraw/zinc/45/94/24/623459424.db2.gz KGVZQBQPMJJVQJ-GFCCVEGCSA-N 0 0 316.323 3.394 20 10 DGCDRN C[C@@H](NC(=O)N[C@H]1CCc2ccc(O)cc21)c1ccccc1O ZINC000875744253 623487056 /nfs/dbraw/zinc/48/70/56/623487056.db2.gz YXMNXRJQFKXCFC-BZNIZROVSA-N 0 0 312.369 3.146 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1coc(C2CC2)n1 ZINC000777231077 623507685 /nfs/dbraw/zinc/50/76/85/623507685.db2.gz HKKPPFNEJHALRQ-UHFFFAOYSA-N 0 0 311.385 3.082 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H](C)O[C@@H]1C ZINC000875988303 623520161 /nfs/dbraw/zinc/52/01/61/623520161.db2.gz FROXZGWKXUWKIT-SQWLQELKSA-N 0 0 320.433 3.270 20 10 DGCDRN Cc1cc(C(=O)N(C)Cc2ccccc2O)nn1[C@@H](C)C1CC1 ZINC000777414958 623522529 /nfs/dbraw/zinc/52/25/29/623522529.db2.gz QOEDFRQSBQSGNX-ZDUSSCGKSA-N 0 0 313.401 3.140 20 10 DGCDRN O=C(NCC1CCC2(CC2)CC1)N1Cc2cccc(O)c2C1 ZINC000876042476 623531991 /nfs/dbraw/zinc/53/19/91/623531991.db2.gz JLMGCVPMOSJFPG-UHFFFAOYSA-N 0 0 300.402 3.388 20 10 DGCDRN CCOc1ccc(CNc2nnc(-c3ccco3)o2)c(O)c1 ZINC000777505249 623533304 /nfs/dbraw/zinc/53/33/04/623533304.db2.gz OVTVAQZOIALQFC-UHFFFAOYSA-N 0 0 301.302 3.046 20 10 DGCDRN CCCC[C@@H]1NC(=O)N(Cc2ccc(N(CC)CC)cc2)C1=O ZINC000777598733 623546243 /nfs/dbraw/zinc/54/62/43/623546243.db2.gz AJBWMVHAFKALPR-INIZCTEOSA-N 0 0 317.433 3.143 20 10 DGCDRN CCCC[C@H]1NC(=O)N(Cc2ccc(N(CC)CC)cc2)C1=O ZINC000777598735 623546292 /nfs/dbraw/zinc/54/62/92/623546292.db2.gz AJBWMVHAFKALPR-MRXNPFEDSA-N 0 0 317.433 3.143 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc2cccnn21 ZINC000777801186 623570131 /nfs/dbraw/zinc/57/01/31/623570131.db2.gz WGHUXRKGTBVDMG-UHFFFAOYSA-N 0 0 309.369 3.092 20 10 DGCDRN Cc1ccc(C2=CCN(C(=O)c3cccc(O)c3O)CC2)cc1 ZINC000790486247 625660702 /nfs/dbraw/zinc/66/07/02/625660702.db2.gz SSHSPZBFKMJLTE-UHFFFAOYSA-N 0 0 309.365 3.336 20 10 DGCDRN CCCCN(C(=O)/C=C\c1cnccn1)c1ccc(Cl)nc1 ZINC000876317128 623583237 /nfs/dbraw/zinc/58/32/37/623583237.db2.gz YGNCOSGQRFUZMY-DAXSKMNVSA-N 0 0 316.792 3.372 20 10 DGCDRN COCCC[C@@H](C)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000777976400 623594405 /nfs/dbraw/zinc/59/44/05/623594405.db2.gz ONHZCCANFMYNDA-MRXNPFEDSA-N 0 0 318.461 3.356 20 10 DGCDRN C[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000125967824 623625063 /nfs/dbraw/zinc/62/50/63/623625063.db2.gz VLWCMAZGMGALSH-NVXWUHKLSA-N 0 0 313.445 3.441 20 10 DGCDRN CN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cccc(F)c1O ZINC000778519624 623663465 /nfs/dbraw/zinc/66/34/65/623663465.db2.gz JPLALLVAYOBYLQ-CQSZACIVSA-N 0 0 306.724 3.381 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C)[C@@H](F)C2)cc1 ZINC000778620277 623677699 /nfs/dbraw/zinc/67/76/99/623677699.db2.gz JCPSHWLOCRADRQ-YOEHRIQHSA-N 0 0 321.440 3.422 20 10 DGCDRN COCC[N@H+](Cc1ccc(C)o1)Cc1ccc(F)c(F)c1[O-] ZINC000876773749 623702764 /nfs/dbraw/zinc/70/27/64/623702764.db2.gz XCGMVOSJHFNSIP-UHFFFAOYSA-N 0 0 311.328 3.220 20 10 DGCDRN C[C@@H](CSc1ccccc1)C(=O)NCc1ccc(O)c(O)c1 ZINC000778917832 623711313 /nfs/dbraw/zinc/71/13/13/623711313.db2.gz JOOZLQOFZIATJX-LBPRGKRZSA-N 0 0 317.410 3.142 20 10 DGCDRN Cc1ccc(SCCC(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000778927588 623712750 /nfs/dbraw/zinc/71/27/50/623712750.db2.gz PQTCYAJDLBMWKW-UHFFFAOYSA-N 0 0 317.410 3.205 20 10 DGCDRN Cc1ccc(CNc2cccc(CS(C)(=O)=O)c2C)c(O)c1 ZINC000876827630 623721148 /nfs/dbraw/zinc/72/11/48/623721148.db2.gz VADWYAKMWMVPLK-UHFFFAOYSA-N 0 0 319.426 3.166 20 10 DGCDRN Cc1cc(Br)cc([C@@H](C)NCc2ccon2)c1O ZINC000779028146 623723188 /nfs/dbraw/zinc/72/31/88/623723188.db2.gz ZGXFTMBJWDVSSM-SECBINFHSA-N 0 0 311.179 3.302 20 10 DGCDRN Cc1ccc(CNc2cccc(-c3nnnn3C3CC3)c2)c(O)c1 ZINC000876839414 623725387 /nfs/dbraw/zinc/72/53/87/623725387.db2.gz VHVJUNHUXFPVNY-UHFFFAOYSA-N 0 0 321.384 3.301 20 10 DGCDRN CCS(=O)(=O)Nc1ccc(NCc2ccc(C)cc2O)cc1 ZINC000876844326 623726252 /nfs/dbraw/zinc/72/62/52/623726252.db2.gz ZHYOKBOYONWWPK-UHFFFAOYSA-N 0 0 320.414 3.074 20 10 DGCDRN CC(C)C[C@H](NCc1cc(F)ccc1O)C(=O)OC(C)(C)C ZINC000779156389 623736601 /nfs/dbraw/zinc/73/66/01/623736601.db2.gz NJLJXHAPUIXAKI-AWEZNQCLSA-N 0 0 311.397 3.377 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@@H](O)c1ccc(F)cc1 ZINC000877034475 623771676 /nfs/dbraw/zinc/77/16/76/623771676.db2.gz IKQRLCPJCPTYHU-BJOHPYRUSA-N 0 0 311.303 3.021 20 10 DGCDRN CCOc1ccc(N(C)CC2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC000779477308 623774122 /nfs/dbraw/zinc/77/41/22/623774122.db2.gz AQAOQSZJOBXCRX-UHFFFAOYSA-N 0 0 320.433 3.388 20 10 DGCDRN C[C@@H]1C[C@H]1c1ccc(CNC(=O)/C=C\c2ccc(O)c(O)c2)o1 ZINC000779500355 623775133 /nfs/dbraw/zinc/77/51/33/623775133.db2.gz PAFGNXBVDBALKZ-VKWCSIGYSA-N 0 0 313.353 3.144 20 10 DGCDRN Cc1ccc2c(c1)CC[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779499611 623775141 /nfs/dbraw/zinc/77/51/41/623775141.db2.gz NPUHDFFYRGQPBQ-UFNQUYMESA-N 0 0 309.365 3.223 20 10 DGCDRN COc1c(Cl)cccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779500178 623775251 /nfs/dbraw/zinc/77/52/51/623775251.db2.gz PZAQEEUZZTVMBB-VURMDHGXSA-N 0 0 319.744 3.412 20 10 DGCDRN C[C@@H](CCNC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC000779510758 623775932 /nfs/dbraw/zinc/77/59/32/623775932.db2.gz QSWUVWLZBCFVBR-GDAGCXPBSA-N 0 0 311.381 3.421 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCc2ccccc2C1 ZINC000779521631 623776512 /nfs/dbraw/zinc/77/65/12/623776512.db2.gz YWRLAQIWZORMBV-JOZWUWCOSA-N 0 0 323.392 3.032 20 10 DGCDRN C[C@H](CN(C)C(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000779513418 623776800 /nfs/dbraw/zinc/77/68/00/623776800.db2.gz HKPYBLGAXCQMQW-CFRMROPGSA-N 0 0 311.381 3.373 20 10 DGCDRN C[C@@H]1CCC[C@H](CCNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000779517634 623776819 /nfs/dbraw/zinc/77/68/19/623776819.db2.gz CGEAABCNJQCRLH-RTIZMKJZSA-N 0 0 303.402 3.444 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@H]1c1cccc(F)c1 ZINC000779526684 623777638 /nfs/dbraw/zinc/77/76/38/623777638.db2.gz XFUSJHFMMNFRNN-PKYBCLHXSA-N 0 0 313.328 3.224 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1scnc1C1CC1 ZINC000779540550 623777824 /nfs/dbraw/zinc/77/78/24/623777824.db2.gz RQBJXWAIKVRRMU-QHHAFSJGSA-N 0 0 302.355 3.084 20 10 DGCDRN Cc1cc(C(=O)NCc2c(O)ccc3c2CCCC3)ccc1O ZINC000779537901 623777869 /nfs/dbraw/zinc/77/78/69/623777869.db2.gz RRTKYZAYCNVGCM-UHFFFAOYSA-N 0 0 311.381 3.215 20 10 DGCDRN CN(C(=O)c1c(C(F)F)nc2n1CCCC2)c1ccc(N)cc1 ZINC000877076462 623785280 /nfs/dbraw/zinc/78/52/80/623785280.db2.gz MWNXQUJJHUMXGN-UHFFFAOYSA-N 0 0 320.343 3.016 20 10 DGCDRN COc1ccc2c(c1)CCCCN2C(=O)/C=C/c1cncc(O)c1 ZINC000779675638 623786152 /nfs/dbraw/zinc/78/61/52/623786152.db2.gz ZRMOGXLBCIBRPD-VMPITWQZSA-N 0 0 324.380 3.179 20 10 DGCDRN COc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877093026 623789611 /nfs/dbraw/zinc/78/96/11/623789611.db2.gz DBAXBTJUZLHIHM-AWEZNQCLSA-N 0 0 305.324 3.456 20 10 DGCDRN [O-]c1c(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)ccc(F)c1F ZINC000877098489 623791441 /nfs/dbraw/zinc/79/14/41/623791441.db2.gz RVVATJYTWRDOQC-UHFFFAOYSA-N 0 0 319.307 3.178 20 10 DGCDRN C[C@H](C[C@H](O)c1cccs1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877127769 623797747 /nfs/dbraw/zinc/79/77/47/623797747.db2.gz ATRYZKNHHGHWQO-SKDRFNHKSA-N 0 0 313.369 3.334 20 10 DGCDRN O=C1NC(=S)S/C1=C\c1ccccc1OC(F)(F)F ZINC000022016096 623816375 /nfs/dbraw/zinc/81/63/75/623816375.db2.gz FOXHEOVIHRNVRL-YVMONPNESA-N 0 0 305.302 3.074 20 10 DGCDRN CCC[C@@H]1C[C@@H](C(=O)NCc2ccc(N(C)C)cc2C)CCO1 ZINC000779916578 623832674 /nfs/dbraw/zinc/83/26/74/623832674.db2.gz UMHDURKBNNKSRZ-MAUKXSAKSA-N 0 0 318.461 3.273 20 10 DGCDRN C[C@](O)(CC[NH2+]Cc1ccc(F)c(F)c1[O-])c1ccccc1 ZINC000877440766 623883932 /nfs/dbraw/zinc/88/39/32/623883932.db2.gz KMHDYBSYNZXMQV-KRWDZBQOSA-N 0 0 307.340 3.058 20 10 DGCDRN Cc1ccc(NC(=O)Cc2ccc(N)cc2)cc1N1CCCC1 ZINC000877455562 623889723 /nfs/dbraw/zinc/88/97/23/623889723.db2.gz MDXNBLBGYIWFEM-UHFFFAOYSA-N 0 0 309.413 3.359 20 10 DGCDRN CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])[nH]1 ZINC000877475119 623899293 /nfs/dbraw/zinc/89/92/93/623899293.db2.gz MBJWBIMVHKMFAO-DTWKUNHWSA-N 0 0 310.348 3.153 20 10 DGCDRN Cc1ccc(CNc2cccc(N3CCNC3=O)c2C)c(O)c1 ZINC000877483087 623904764 /nfs/dbraw/zinc/90/47/64/623904764.db2.gz KZZPCNKHPGTOBY-UHFFFAOYSA-N 0 0 311.385 3.151 20 10 DGCDRN [O-]c1c(C[NH+]2CCC(c3cccnc3)CC2)ccc(F)c1F ZINC000877525180 623923368 /nfs/dbraw/zinc/92/33/68/623923368.db2.gz UABOEPGSTVFOMJ-UHFFFAOYSA-N 0 0 304.340 3.445 20 10 DGCDRN Cc1cnc(C(=O)NCc2c(O)ccc3c2CCCC3)c(C)c1 ZINC000780590453 623955861 /nfs/dbraw/zinc/95/58/61/623955861.db2.gz RVNCBZXNEPTRJZ-UHFFFAOYSA-N 0 0 310.397 3.213 20 10 DGCDRN COc1cccc([C@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])OC)c1 ZINC000877647211 623976255 /nfs/dbraw/zinc/97/62/55/623976255.db2.gz BUMKGCDKNRWIPZ-HNNXBMFYSA-N 0 0 323.339 3.156 20 10 DGCDRN CN(Cc1nc2c(s1)CCCC2)c1ccc2c(c1)OCO2 ZINC000780778605 623982259 /nfs/dbraw/zinc/98/22/59/623982259.db2.gz NKRXFSKUSNZOKN-UHFFFAOYSA-N 0 0 302.399 3.387 20 10 DGCDRN CN(Cc1occc1Br)c1ccc2c(c1)OCO2 ZINC000780778686 623982505 /nfs/dbraw/zinc/98/25/05/623982505.db2.gz OBYYTSCEQHIEFB-UHFFFAOYSA-N 0 0 310.147 3.407 20 10 DGCDRN CC(C)N1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1=O ZINC000780793292 623985756 /nfs/dbraw/zinc/98/57/56/623985756.db2.gz KZJRMVRHFRBCMY-UHFFFAOYSA-N 0 0 324.424 3.112 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[C@@H](C)C1 ZINC000780801598 623986656 /nfs/dbraw/zinc/98/66/56/623986656.db2.gz YJJTYXCUCRRIOR-GDBMZVCRSA-N 0 0 303.450 3.473 20 10 DGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cccc(O)c1 ZINC000780915775 623997909 /nfs/dbraw/zinc/99/79/09/623997909.db2.gz XIANNDMNTGUTFI-UHFFFAOYSA-N 0 0 310.397 3.313 20 10 DGCDRN COC(=O)C[C@](C)([NH2+]Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000877707483 623999770 /nfs/dbraw/zinc/99/97/70/623999770.db2.gz UNIGOHNEIBHLNI-HNNXBMFYSA-N 0 0 315.772 3.006 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C)cc2OC)c1 ZINC000780935842 624000958 /nfs/dbraw/zinc/00/09/58/624000958.db2.gz MFADRTMABWMZHS-LBPRGKRZSA-N 0 0 315.369 3.209 20 10 DGCDRN Cc1ccc(C(=O)Nc2ncc(C(C)(C)C)s2)c(O)c1O ZINC000780953221 624002733 /nfs/dbraw/zinc/00/27/33/624002733.db2.gz TTWUEHAJNZUEEX-UHFFFAOYSA-N 0 0 306.387 3.413 20 10 DGCDRN Cc1ccc(C(=O)Nc2cc(C3CCCCC3)[nH]n2)c(O)c1O ZINC000780958241 624003697 /nfs/dbraw/zinc/00/36/97/624003697.db2.gz CPLJHKWESAKWCV-UHFFFAOYSA-N 0 0 315.373 3.429 20 10 DGCDRN CCO[C@H](CCNC(=O)c1ccc(C)c(O)c1O)C1CCCC1 ZINC000780964417 624004721 /nfs/dbraw/zinc/00/47/21/624004721.db2.gz UKSMXRXNISZSOI-OAHLLOKOSA-N 0 0 321.417 3.121 20 10 DGCDRN CN1Cc2ccccc2[C@H]1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000877732450 624007806 /nfs/dbraw/zinc/00/78/06/624007806.db2.gz FTUGFHVQHLDBFB-MRXNPFEDSA-N 0 0 302.805 3.322 20 10 DGCDRN Cc1ccc(C(=O)N2Cc3ccccc3C(F)(F)C2)c(O)c1O ZINC000780987863 624008024 /nfs/dbraw/zinc/00/80/24/624008024.db2.gz ZSPFZCLPIIOUJY-UHFFFAOYSA-N 0 0 319.307 3.154 20 10 DGCDRN CCN(C(C)=O)c1nc(CN[C@H](C)c2ccccc2O)cs1 ZINC000877756566 624022775 /nfs/dbraw/zinc/02/27/75/624022775.db2.gz SNEZPEUDRDCBAI-LLVKDONJSA-N 0 0 319.430 3.072 20 10 DGCDRN COc1cccc(CNC(=O)c2scc(C)c2Cl)c1O ZINC000790788393 625697642 /nfs/dbraw/zinc/69/76/42/625697642.db2.gz VWAKOUABNVOGRB-UHFFFAOYSA-N 0 0 311.790 3.354 20 10 DGCDRN C[C@@]1(C(=O)NCc2ccc(N3CCCCC3)cc2)CCCOC1 ZINC000781325071 624055365 /nfs/dbraw/zinc/05/53/65/624055365.db2.gz QKZNAPMNMGSURY-LJQANCHMSA-N 0 0 316.445 3.110 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)C12CC(c3ccccc3)(C1)C2 ZINC000790773587 625695483 /nfs/dbraw/zinc/69/54/83/625695483.db2.gz ZPYKMCGWWPAICN-UHFFFAOYSA-N 0 0 307.393 3.473 20 10 DGCDRN CN(C)c1cc(F)c([C@@H]2Nc3ccccc3C(=O)N2C)cc1F ZINC000877844412 624067236 /nfs/dbraw/zinc/06/72/36/624067236.db2.gz HCFFXZSADPAIPG-MRXNPFEDSA-N 0 0 317.339 3.227 20 10 DGCDRN Cc1cc(O)c([C@H]2NC(=O)c3cc(F)c(F)cc3N2)cc1C ZINC000877858318 624071396 /nfs/dbraw/zinc/07/13/96/624071396.db2.gz JBWPASZUAGZRQD-OAHLLOKOSA-N 0 0 304.296 3.141 20 10 DGCDRN Cc1cc(O)c([C@H]2NC(C)(C)C(=O)N2c2ccccc2)cc1C ZINC000877857592 624071522 /nfs/dbraw/zinc/07/15/22/624071522.db2.gz VPTAVMXLGPRMQK-KRWDZBQOSA-N 0 0 310.397 3.423 20 10 DGCDRN CN1CCc2cc([C@@H]3NC(C)(C)C(=O)N3c3ccccc3)ccc21 ZINC000877857303 624071587 /nfs/dbraw/zinc/07/15/87/624071587.db2.gz OHZWSLFDJOLYLY-GOSISDBHSA-N 0 0 321.424 3.093 20 10 DGCDRN Cc1ccc2c(c1)N[C@H](c1cc(F)c(N(C)C)cc1F)NC2=O ZINC000877865921 624075179 /nfs/dbraw/zinc/07/51/79/624075179.db2.gz LZNCEWYMVLDVOF-INIZCTEOSA-N 0 0 317.339 3.193 20 10 DGCDRN COc1ccc(N2CCN(Cc3scnc3Cl)CC2)cc1 ZINC000877911994 624089830 /nfs/dbraw/zinc/08/98/30/624089830.db2.gz HJBHXKSWVPIEBU-UHFFFAOYSA-N 0 0 323.849 3.127 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CCO[C@@H](C)C2)c1 ZINC000781636933 624111675 /nfs/dbraw/zinc/11/16/75/624111675.db2.gz UWNBZISDQLFEJY-JQWIXIFHSA-N 0 0 314.223 3.120 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CCO[C@H](C)C2)c1 ZINC000781636941 624111689 /nfs/dbraw/zinc/11/16/89/624111689.db2.gz UWNBZISDQLFEJY-ZYHUDNBSSA-N 0 0 314.223 3.120 20 10 DGCDRN COC1(C[NH2+]Cc2cc(C)cc(Br)c2[O-])CCC1 ZINC000781640078 624113347 /nfs/dbraw/zinc/11/33/47/624113347.db2.gz ZUEQLXYHOSLCAL-UHFFFAOYSA-N 0 0 314.223 3.122 20 10 DGCDRN CC(C)(C)c1cccc2c1OCCN2C(=O)/C=C\c1cnccn1 ZINC000781642376 624113415 /nfs/dbraw/zinc/11/34/15/624113415.db2.gz GULMOLLQQMXOLF-FPLPWBNLSA-N 0 0 323.396 3.213 20 10 DGCDRN COc1ccc(N(C)CC[C@H](O)c2ccccc2)cc1OC ZINC000877995841 624130173 /nfs/dbraw/zinc/13/01/73/624130173.db2.gz KYIRIZVXTIGLJT-INIZCTEOSA-N 0 0 301.386 3.264 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccn2nccc12 ZINC000878008975 624133425 /nfs/dbraw/zinc/13/34/25/624133425.db2.gz QOTPJUHKIVGKNF-UHFFFAOYSA-N 0 0 322.412 3.063 20 10 DGCDRN CC(C)Cc1ccccc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000790793456 625698384 /nfs/dbraw/zinc/69/83/84/625698384.db2.gz BWGKEYOGUBGYSZ-UHFFFAOYSA-N 0 0 313.397 3.269 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)CC2CCSCC2)cc1 ZINC000126919978 624172088 /nfs/dbraw/zinc/17/20/88/624172088.db2.gz UTSTULRRNWBLQJ-UHFFFAOYSA-N 0 0 306.475 3.244 20 10 DGCDRN COCCOCCN(C)c1ccc(OCc2ccccc2)cc1 ZINC000781964695 624181225 /nfs/dbraw/zinc/18/12/25/624181225.db2.gz YCBARCKNOSUUEL-UHFFFAOYSA-N 0 0 315.413 3.365 20 10 DGCDRN Cc1cc(C(=O)NC(C)(C)[C@H](C)O)c(C)n1-c1ccccc1C ZINC000782026795 624190171 /nfs/dbraw/zinc/19/01/71/624190171.db2.gz NCLRPNCJJBERGA-HNNXBMFYSA-N 0 0 314.429 3.292 20 10 DGCDRN CC(C)=C[C@@H]1[C@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)C1(C)C ZINC000782220942 624223265 /nfs/dbraw/zinc/22/32/65/624223265.db2.gz LGZUKMNFQSEEGM-MLGOLLRUSA-N 0 0 318.369 3.062 20 10 DGCDRN O=C(OCc1ccn(-c2ccccc2F)n1)C1=CC(=O)CS1 ZINC000782276046 624231243 /nfs/dbraw/zinc/23/12/43/624231243.db2.gz SBXMYDMAIBGULB-UHFFFAOYSA-N 0 0 318.329 3.136 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCc1cc(F)cc(F)c1 ZINC000782294877 624234651 /nfs/dbraw/zinc/23/46/51/624234651.db2.gz BNNNCTFWOGOUBE-DUXPYHPUSA-N 0 0 306.264 3.133 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)c1ccc(C)cc1 ZINC000127040582 624239280 /nfs/dbraw/zinc/23/92/80/624239280.db2.gz CYUIRWZTBVURQK-UHFFFAOYSA-N 0 0 324.424 3.292 20 10 DGCDRN C[C@H](NC(=O)Nc1nnc(C(C)(C)C)s1)c1ccccc1O ZINC000878390484 624265410 /nfs/dbraw/zinc/26/54/10/624265410.db2.gz QWRVRHMEXFLODY-VIFPVBQESA-N 0 0 320.418 3.424 20 10 DGCDRN C[C@@H](NC(=O)c1cccc(O)c1O)c1c(F)cccc1Cl ZINC000790857815 625709340 /nfs/dbraw/zinc/70/93/40/625709340.db2.gz QTMPFQBFZFUTIY-MRVPVSSYSA-N 0 0 309.724 3.381 20 10 DGCDRN C[C@H](NCc1nc(C2CCC2)no1)c1ccc(N(C)C)cc1 ZINC000878454287 624282239 /nfs/dbraw/zinc/28/22/39/624282239.db2.gz AVOTXGADLPAPHE-LBPRGKRZSA-N 0 0 300.406 3.254 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ncsc2C2CC2)cc1F ZINC000878532928 624300316 /nfs/dbraw/zinc/30/03/16/624300316.db2.gz ZYMHQAMGMQIMFX-UHFFFAOYSA-N 0 0 319.405 3.156 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3c[nH]cc3C3CC3)ccc21 ZINC000878535016 624301185 /nfs/dbraw/zinc/30/11/85/624301185.db2.gz OCSAOTAQUIUZEN-UHFFFAOYSA-N 0 0 309.413 3.205 20 10 DGCDRN CN(C)C(=O)c1ccc(NCc2c(O)cccc2Cl)cc1 ZINC000127261661 624332628 /nfs/dbraw/zinc/33/26/28/624332628.db2.gz XEGGQUGDILCVIX-UHFFFAOYSA-N 0 0 304.777 3.360 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]2CCC(C)(C)CO2)c1 ZINC000878731213 624350426 /nfs/dbraw/zinc/35/04/26/624350426.db2.gz ZMIXGHSMIAAAGN-JSGCOSHPSA-N 0 0 321.417 3.173 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2cccnc2)c1O ZINC000805746601 624357896 /nfs/dbraw/zinc/35/78/96/624357896.db2.gz CCMNHHIICUMWSU-KRWDZBQOSA-N 0 0 314.360 3.466 20 10 DGCDRN C[C@H](NCc1cn(C)nn1)c1ccc(N2CCCCCC2)cc1 ZINC000783531734 624362261 /nfs/dbraw/zinc/36/22/61/624362261.db2.gz FDQWZTDPSAHXOU-HNNXBMFYSA-N 0 0 313.449 3.046 20 10 DGCDRN O=C(Nc1cnc(-c2ccccc2)s1)c1cccc(O)c1O ZINC000790911115 625715008 /nfs/dbraw/zinc/71/50/08/625715008.db2.gz LIKYIEIPXAQEJA-UHFFFAOYSA-N 0 0 312.350 3.474 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2c2cn[nH]c2)c1O ZINC000878877994 624378187 /nfs/dbraw/zinc/37/81/87/624378187.db2.gz NFJLAOOVKARHGI-HNNXBMFYSA-N 0 0 319.792 3.308 20 10 DGCDRN C[C@H](CC1CCCC1)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783672654 624381982 /nfs/dbraw/zinc/38/19/82/624381982.db2.gz IVTWMQOVMOFSST-LLVKDONJSA-N 0 0 306.358 3.040 20 10 DGCDRN Cc1cc(/C=C2\SC(=S)N(C)C2=O)cc2cccnc12 ZINC000783699304 624384653 /nfs/dbraw/zinc/38/46/53/624384653.db2.gz VMFJIUFBQHZXLA-WQLSENKSSA-N 0 0 300.408 3.374 20 10 DGCDRN O=C(N[C@H]1CC[C@@H](Cc2ccccc2)C1)c1cccc(O)c1O ZINC000783852939 624400748 /nfs/dbraw/zinc/40/07/48/624400748.db2.gz YGELKWWMBRQPME-GJZGRUSLSA-N 0 0 311.381 3.239 20 10 DGCDRN Cc1ccncc1/C=C\C(=O)N1C[C@H](C)Oc2cc(F)ccc21 ZINC000784045946 624427786 /nfs/dbraw/zinc/42/77/86/624427786.db2.gz CQGXDNBTMIWETH-RJNRQISESA-N 0 0 312.344 3.356 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)N1CCN(C)c2ccc(F)cc21 ZINC000784050099 624428370 /nfs/dbraw/zinc/42/83/70/624428370.db2.gz OAEKVWXDFASSPZ-ZZXKWVIFSA-N 0 0 311.360 3.025 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C=C/c1cnccc1C)C[C@H](C)O2 ZINC000784049832 624428373 /nfs/dbraw/zinc/42/83/73/624428373.db2.gz RNSWJEIXZCIEGW-GBXSZLQWSA-N 0 0 324.380 3.226 20 10 DGCDRN COC(C)(C)CC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000784056686 624429833 /nfs/dbraw/zinc/42/98/33/624429833.db2.gz WVBUMWXAGRFXAN-UHFFFAOYSA-N 0 0 324.384 3.150 20 10 DGCDRN CCOc1ccc(N(Cc2ncnn2CC)CC2CC2)cc1 ZINC000879116852 624430190 /nfs/dbraw/zinc/43/01/90/624430190.db2.gz BIKOECXCJQFWDR-UHFFFAOYSA-N 0 0 300.406 3.113 20 10 DGCDRN CCOc1ccc(N(CC2CC2)C[C@H]2CCc3ncnn32)cc1 ZINC000879117091 624431403 /nfs/dbraw/zinc/43/14/03/624431403.db2.gz IYJNBPMJXJOCLO-MRXNPFEDSA-N 0 0 312.417 3.081 20 10 DGCDRN CCOc1ccc(N(CC2CC2)C[C@@H]2CCNC(=O)CC2)cc1 ZINC000879117459 624431445 /nfs/dbraw/zinc/43/14/45/624431445.db2.gz SNGSOYLFGVWLHB-INIZCTEOSA-N 0 0 316.445 3.218 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2C[C@@H](C)CC(C)(C)C2)cc1OC ZINC000784180176 624450157 /nfs/dbraw/zinc/45/01/57/624450157.db2.gz CGERCJHHEAVZHJ-NSHDSACASA-N 0 0 308.378 3.484 20 10 DGCDRN Cc1ccn(C)c1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000784366827 624511734 /nfs/dbraw/zinc/51/17/34/624511734.db2.gz RFLUXJLZZCZOHS-UHFFFAOYSA-N 0 0 311.429 3.254 20 10 DGCDRN COc1ccc(N2CCC(Nc3nnc(C4CC4)o3)CC2)cc1 ZINC000784589129 624554328 /nfs/dbraw/zinc/55/43/28/624554328.db2.gz XVLKFRACIFUWQU-UHFFFAOYSA-N 0 0 314.389 3.037 20 10 DGCDRN C[C@H](CCC(C)(C)C)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784694282 624572896 /nfs/dbraw/zinc/57/28/96/624572896.db2.gz CXPUWQINADSWLO-LLVKDONJSA-N 0 0 308.374 3.286 20 10 DGCDRN C[C@@H](N[C@H](C)c1ccccc1O)c1nnnn1C1CCCCC1 ZINC000879648806 624622568 /nfs/dbraw/zinc/62/25/68/624622568.db2.gz ALHNYWBWHKSHDM-CHWSQXEVSA-N 0 0 315.421 3.296 20 10 DGCDRN CCS[C@@H](C)c1noc(CN[C@@H](C)c2ccccc2O)n1 ZINC000879651445 624624453 /nfs/dbraw/zinc/62/44/53/624624453.db2.gz WGIXGMFBBCWMIG-QWRGUYRKSA-N 0 0 307.419 3.440 20 10 DGCDRN CC(C)CO[C@H](C)c1noc(CN[C@@H](C)c2ccccc2O)n1 ZINC000879651014 624624736 /nfs/dbraw/zinc/62/47/36/624624736.db2.gz DPKAHNZQRGQHFZ-QWHCGFSZSA-N 0 0 319.405 3.360 20 10 DGCDRN CC1(C)C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCS1 ZINC000888795039 624740134 /nfs/dbraw/zinc/74/01/34/624740134.db2.gz VVVBLUIYFVIKHI-GFCCVEGCSA-N 0 0 320.418 3.253 20 10 DGCDRN C[C@@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H]1C ZINC000128346054 624908921 /nfs/dbraw/zinc/90/89/21/624908921.db2.gz YGHCBCRHEIGYCY-HZPDHXFCSA-N 0 0 313.445 3.250 20 10 DGCDRN CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000786574835 624922664 /nfs/dbraw/zinc/92/26/64/624922664.db2.gz GQQRLOJFGBESKX-XHNCKOQMSA-N 0 0 320.202 3.368 20 10 DGCDRN COC(=O)CCc1cccc(NCc2cc(OC)ccc2O)c1 ZINC000786580088 624924810 /nfs/dbraw/zinc/92/48/10/624924810.db2.gz XPZLYQCQLMDZGM-UHFFFAOYSA-N 0 0 315.369 3.119 20 10 DGCDRN Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000786584861 624926298 /nfs/dbraw/zinc/92/62/98/624926298.db2.gz UXAGJHWVQLOEAK-WFASDCNBSA-N 0 0 321.367 3.233 20 10 DGCDRN Cc1sccc1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000786710298 624948421 /nfs/dbraw/zinc/94/84/21/624948421.db2.gz YHPYVGGNUPNZLW-UHFFFAOYSA-N 0 0 302.443 3.324 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCC(C)(C)O ZINC000786766196 624951850 /nfs/dbraw/zinc/95/18/50/624951850.db2.gz MZTFOKFKIMDTQW-UHFFFAOYSA-N 0 0 318.461 3.186 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000786998714 624970645 /nfs/dbraw/zinc/97/06/45/624970645.db2.gz DZPGZOLKJJGWBZ-BJWYYQGGSA-N 0 0 301.434 3.131 20 10 DGCDRN COc1cncc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000880551536 624976410 /nfs/dbraw/zinc/97/64/10/624976410.db2.gz GTKLRJHNIUMGAG-LBPRGKRZSA-N 0 0 314.389 3.039 20 10 DGCDRN C[C@@H](NC(=O)Nc1ccnn1CC1CCC1)c1ccccc1O ZINC000880654469 624994249 /nfs/dbraw/zinc/99/42/49/624994249.db2.gz IYYXMSYHGXJLGM-GFCCVEGCSA-N 0 0 314.389 3.272 20 10 DGCDRN CCOc1ccc(N(C)Cc2c(Br)cnn2C)cc1 ZINC000787272482 624995079 /nfs/dbraw/zinc/99/50/79/624995079.db2.gz RUKCAFOARBHPSI-UHFFFAOYSA-N 0 0 324.222 3.218 20 10 DGCDRN CSC1(C(=O)NCCCSc2nccs2)CCC1 ZINC000787349506 625001427 /nfs/dbraw/zinc/00/14/27/625001427.db2.gz NEKGIWMIGVMZOZ-UHFFFAOYSA-N 0 0 302.490 3.027 20 10 DGCDRN CCOC(=O)[C@H](CC)N(Cc1cc(Cl)ccc1O)C1CC1 ZINC000787438561 625010607 /nfs/dbraw/zinc/01/06/07/625010607.db2.gz BWXBRKRXIRMOIP-AWEZNQCLSA-N 0 0 311.809 3.352 20 10 DGCDRN C[C@H](O)COC(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC000787587323 625022019 /nfs/dbraw/zinc/02/20/19/625022019.db2.gz YPGYEZMYMUQFIP-NSHDSACASA-N 0 0 300.314 3.345 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@]2(c3ccccc3)C[C@H](F)C2)c1 ZINC000880837740 625069500 /nfs/dbraw/zinc/06/95/00/625069500.db2.gz SBLSBUAWDJLLCL-RUCARUNLSA-N 0 0 313.372 3.387 20 10 DGCDRN COC[C@H](NC(=O)C1=CC(=O)CS1)c1ccc(Cl)cc1 ZINC000787927416 625074722 /nfs/dbraw/zinc/07/47/22/625074722.db2.gz FIKFYKAVMCHOTO-LBPRGKRZSA-N 0 0 311.790 3.225 20 10 DGCDRN FC(F)(F)c1cnc(CNCc2ccc3c(c2)CCO3)s1 ZINC000788509863 625203001 /nfs/dbraw/zinc/20/30/01/625203001.db2.gz SFSWSLUXVUUBAH-UHFFFAOYSA-N 0 0 314.332 3.387 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2ncsc2C2CC2)c1 ZINC000881025226 625204476 /nfs/dbraw/zinc/20/44/76/625204476.db2.gz BXMZZQUUJRYOHH-UHFFFAOYSA-N 0 0 303.387 3.356 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000788593222 625221624 /nfs/dbraw/zinc/22/16/24/625221624.db2.gz GXPKGCVVBJZZEY-MNOVXSKESA-N 0 0 314.351 3.298 20 10 DGCDRN C[C@@H]([NH2+]CCC[C@H](C)O)c1cc(Br)cc(F)c1[O-] ZINC000788604265 625224870 /nfs/dbraw/zinc/22/48/70/625224870.db2.gz JGIRTHKKNHAORR-DTWKUNHWSA-N 0 0 320.202 3.105 20 10 DGCDRN C[C@@H]([NH2+]CCOCC(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000788774356 625263015 /nfs/dbraw/zinc/26/30/15/625263015.db2.gz CRBVDTPATWQJPN-MRVPVSSYSA-N 0 0 313.266 3.343 20 10 DGCDRN CN(CC[NH2+]Cc1c([O-])ccc(Cl)c1F)Cc1ccccc1 ZINC000790954067 625722482 /nfs/dbraw/zinc/72/24/82/625722482.db2.gz KBAYAXLKTBAZRB-UHFFFAOYSA-N 0 0 322.811 3.406 20 10 DGCDRN CCN1CCCC[C@H]1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790961644 625722790 /nfs/dbraw/zinc/72/27/90/625722790.db2.gz YROXXXSCMICZIP-NSHDSACASA-N 0 0 300.805 3.149 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC1(O)CCCCCC1 ZINC000790966606 625724995 /nfs/dbraw/zinc/72/49/95/625724995.db2.gz MVXQTMJAZDNOMD-UHFFFAOYSA-N 0 0 301.789 3.360 20 10 DGCDRN CCC(CC)(CC(=O)OC)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790974305 625726793 /nfs/dbraw/zinc/72/67/93/625726793.db2.gz RJHFLZRBYAQYQV-UHFFFAOYSA-N 0 0 317.788 3.396 20 10 DGCDRN CCC1(O)CCC([NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000790981497 625728974 /nfs/dbraw/zinc/72/89/74/625728974.db2.gz NCIXDMMKQNZNCC-UHFFFAOYSA-N 0 0 301.789 3.358 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCc1cnc(C2CC2)nc1 ZINC000790983182 625730100 /nfs/dbraw/zinc/73/01/00/625730100.db2.gz OCHUUYBXAPISKT-UHFFFAOYSA-N 0 0 321.783 3.184 20 10 DGCDRN CO[C@@H](CC[NH2+]Cc1c([O-])ccc(Cl)c1F)C(F)(F)F ZINC000790990943 625731996 /nfs/dbraw/zinc/73/19/96/625731996.db2.gz IIIRWAFRLVNEAC-JTQLQIEISA-N 0 0 315.694 3.242 20 10 DGCDRN CSc1cc(O)ccc1NS(=O)(=O)CCC1CCCC1 ZINC000882718516 625797631 /nfs/dbraw/zinc/79/76/31/625797631.db2.gz HYBAZBLUSWPRQN-UHFFFAOYSA-N 0 0 315.460 3.436 20 10 DGCDRN Cc1nc2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc2o1 ZINC000791477204 625809297 /nfs/dbraw/zinc/80/92/97/625809297.db2.gz CUIAUCYZTXQNOJ-UHFFFAOYSA-N 0 0 309.369 3.132 20 10 DGCDRN CN1CCc2cc([C@@H]3Nc4cccc(Cl)c4C(=O)N3)ccc21 ZINC000130292929 625836049 /nfs/dbraw/zinc/83/60/49/625836049.db2.gz XHMAUDZGNDRTLH-MRXNPFEDSA-N 0 0 313.788 3.186 20 10 DGCDRN CCCOc1ccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])cn1 ZINC000882989457 625887220 /nfs/dbraw/zinc/88/72/20/625887220.db2.gz RCGAWTYOGXUXOX-UHFFFAOYSA-N 0 0 308.328 3.144 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000883017219 625898403 /nfs/dbraw/zinc/89/84/03/625898403.db2.gz BCWNNCQCLUHJPC-UHFFFAOYSA-N 0 0 319.351 3.466 20 10 DGCDRN COc1ccccc1O[C@@H](C)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883019791 625899858 /nfs/dbraw/zinc/89/98/58/625899858.db2.gz CSDCGNASFKUHKL-NSHDSACASA-N 0 0 323.339 3.236 20 10 DGCDRN CC(C)(C)[N@@H+]1CCCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792165369 625916867 /nfs/dbraw/zinc/91/68/67/625916867.db2.gz PFGMJEDZCNFWJW-UHFFFAOYSA-N 0 0 314.832 3.491 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000792164499 625916964 /nfs/dbraw/zinc/91/69/64/625916964.db2.gz JFVLFMUMWUAEHL-UHFFFAOYSA-N 0 0 309.772 3.287 20 10 DGCDRN Oc1c(F)cc(F)cc1CNc1ccn(CC(F)(F)F)n1 ZINC000883073495 625917159 /nfs/dbraw/zinc/91/71/59/625917159.db2.gz RLPRGMWAXXSFGF-UHFFFAOYSA-N 0 0 307.222 3.041 20 10 DGCDRN CN(Cc1ccc(Br)o1)c1ccc2c(c1)OCO2 ZINC000792174289 625919732 /nfs/dbraw/zinc/91/97/32/625919732.db2.gz PYTAEHRMVJSYSR-UHFFFAOYSA-N 0 0 310.147 3.407 20 10 DGCDRN COC(=O)CCC(C)(C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000792175410 625920304 /nfs/dbraw/zinc/92/03/04/625920304.db2.gz TWSXVZLSWUMQMO-UHFFFAOYSA-N 0 0 303.761 3.006 20 10 DGCDRN CC[C@H](C(=O)OC(C)(C)C)N(C)Cc1ccc(N(C)C)cc1 ZINC000792202473 625925251 /nfs/dbraw/zinc/92/52/51/625925251.db2.gz KEDFQQKWZYUTKJ-MRXNPFEDSA-N 0 0 306.450 3.305 20 10 DGCDRN COc1cccc(CNC(=O)c2cc(O)c3ccccc3c2)c1O ZINC000792237423 625929911 /nfs/dbraw/zinc/92/99/11/625929911.db2.gz CZVPEGFZLYMAHU-UHFFFAOYSA-N 0 0 323.348 3.190 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)c2ccsc2)c1 ZINC000131085148 625942515 /nfs/dbraw/zinc/94/25/15/625942515.db2.gz CKDPXXBOJTZJHY-GHMZBOCLSA-N 0 0 305.399 3.443 20 10 DGCDRN CSc1ccccc1CN(C)C(=O)c1ccc(C)c(O)c1O ZINC000792542035 625954456 /nfs/dbraw/zinc/95/44/56/625954456.db2.gz GFTBBOLFZFPCPR-UHFFFAOYSA-N 0 0 317.410 3.400 20 10 DGCDRN O=C(COC(=O)[C@H](F)CC1CCCCC1)c1ccc(O)c(O)c1 ZINC000796205949 626029934 /nfs/dbraw/zinc/02/99/34/626029934.db2.gz LAEYSIGFPQIOKI-CYBMUJFWSA-N 0 0 324.348 3.132 20 10 DGCDRN Cc1oc(C2CC2)nc1C(=O)NCCCSc1nccs1 ZINC000796422948 626048874 /nfs/dbraw/zinc/04/88/74/626048874.db2.gz XSYIMLRQXQXOCE-UHFFFAOYSA-N 0 0 323.443 3.229 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1cnn2ccccc12 ZINC000796480510 626054733 /nfs/dbraw/zinc/05/47/33/626054733.db2.gz MGKZUEKOWRBZDI-UHFFFAOYSA-N 0 0 305.740 3.122 20 10 DGCDRN CCn1ncnc1CN(CCC(C)C)c1ccc(OC)cc1 ZINC000796502090 626056624 /nfs/dbraw/zinc/05/66/24/626056624.db2.gz AXSXZEGFBXKGHY-UHFFFAOYSA-N 0 0 302.422 3.359 20 10 DGCDRN OCCCOc1ccc(NCc2cc(Cl)ccc2O)cc1 ZINC000796522021 626058266 /nfs/dbraw/zinc/05/82/66/626058266.db2.gz KEJIVZNWULTNOR-UHFFFAOYSA-N 0 0 307.777 3.419 20 10 DGCDRN CCOc1ccc(O)c(CN[C@@H](C)c2c(F)cncc2F)c1 ZINC000796525656 626058787 /nfs/dbraw/zinc/05/87/87/626058787.db2.gz DGEXCBRDTDAMIK-JTQLQIEISA-N 0 0 308.328 3.315 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000796704155 626074879 /nfs/dbraw/zinc/07/48/79/626074879.db2.gz XKFXLMYXBSCMFZ-CRAIPNDOSA-N 0 0 317.404 3.423 20 10 DGCDRN CC[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1[O-] ZINC000796735947 626077960 /nfs/dbraw/zinc/07/79/60/626077960.db2.gz BCHONCGTRYXNIP-DGCLKSJQSA-N 0 0 320.330 3.209 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H]1CSCCS1)c1ccc(F)cc1[O-] ZINC000796792330 626083679 /nfs/dbraw/zinc/08/36/79/626083679.db2.gz GSNGEZHYDYMVES-WCQYABFASA-N 0 0 301.452 3.421 20 10 DGCDRN CC[C@H](Nc1ccc2c(c1)NC(=O)CO2)c1ccc(F)cc1O ZINC000796860692 626090931 /nfs/dbraw/zinc/09/09/31/626090931.db2.gz XPLZWVJXXMHERI-ZDUSSCGKSA-N 0 0 316.332 3.425 20 10 DGCDRN COCCc1ccnc(N[C@H](C)c2cc(F)cc(F)c2O)c1 ZINC000797046609 626107837 /nfs/dbraw/zinc/10/78/37/626107837.db2.gz XSSHSZDGDPIBBF-SNVBAGLBSA-N 0 0 308.328 3.427 20 10 DGCDRN CC[C@@H]([NH2+]CC1CCN(C(=O)OC)CC1)c1ccc(F)cc1[O-] ZINC000797089317 626111914 /nfs/dbraw/zinc/11/19/14/626111914.db2.gz CBPGYNOJELXQDH-OAHLLOKOSA-N 0 0 324.396 3.050 20 10 DGCDRN COc1cccc(O)c1CNCc1c(F)cc(F)c(F)c1F ZINC000797468681 626145489 /nfs/dbraw/zinc/14/54/89/626145489.db2.gz OTGQEPZPOCEGDB-UHFFFAOYSA-N 0 0 315.266 3.247 20 10 DGCDRN COc1cccc(CNC(=O)NC[C@@H]2CCC[C@@H](C)[C@@H]2C)c1O ZINC000797541627 626151962 /nfs/dbraw/zinc/15/19/62/626151962.db2.gz HMJILZNEKUFLIQ-RDBSUJKOSA-N 0 0 320.433 3.272 20 10 DGCDRN CCCCCCNC(=O)CN1CCCc2cc(OC)ccc21 ZINC000797718601 626165798 /nfs/dbraw/zinc/16/57/98/626165798.db2.gz FPABEDBGKAWIMU-UHFFFAOYSA-N 0 0 304.434 3.144 20 10 DGCDRN C[C@@H]1CCC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1C ZINC000797763327 626167521 /nfs/dbraw/zinc/16/75/21/626167521.db2.gz RKJYIEZLLHQVPG-BSUNCPLPSA-N 0 0 303.402 3.300 20 10 DGCDRN CCc1occc1C(=O)NCc1cccc(Br)c1O ZINC000797759879 626167543 /nfs/dbraw/zinc/16/75/43/626167543.db2.gz PJHUFGGEGHDFLJ-UHFFFAOYSA-N 0 0 324.174 3.240 20 10 DGCDRN CC(C)[C@H](C(=O)NCc1ccc(N(C)C)cc1)c1cccnc1 ZINC000797798096 626169757 /nfs/dbraw/zinc/16/97/57/626169757.db2.gz PPIFQMVUYHQSMJ-SFHVURJKSA-N 0 0 311.429 3.204 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H]1CCC(F)(F)C1 ZINC000797901221 626179019 /nfs/dbraw/zinc/17/90/19/626179019.db2.gz DIAUHUOLSUUJEI-LBPRGKRZSA-N 0 0 324.371 3.304 20 10 DGCDRN Cc1cc(NCc2cc(Cl)cc(F)c2O)ccc1C(N)=O ZINC000798085694 626192966 /nfs/dbraw/zinc/19/29/66/626192966.db2.gz UVVKGMFONOHXFF-UHFFFAOYSA-N 0 0 308.740 3.204 20 10 DGCDRN COC(=O)Nc1cccc(NCc2cc(OC)ccc2O)c1C ZINC000798086931 626193531 /nfs/dbraw/zinc/19/35/31/626193531.db2.gz ZNXLWSIECBJJDF-UHFFFAOYSA-N 0 0 316.357 3.500 20 10 DGCDRN C[C@@H]([NH2+]CCC1(C)OCCO1)c1cccc(C(F)(F)F)c1[O-] ZINC000798182070 626200602 /nfs/dbraw/zinc/20/06/02/626200602.db2.gz AHLCCLMWBMPLGD-SNVBAGLBSA-N 0 0 319.323 3.215 20 10 DGCDRN CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCCO1 ZINC000798459964 626218910 /nfs/dbraw/zinc/21/89/10/626218910.db2.gz PMRPCMJTLUDCOQ-WMLDXEAASA-N 0 0 319.449 3.024 20 10 DGCDRN CC(C)n1cnc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000798994282 626265472 /nfs/dbraw/zinc/26/54/72/626265472.db2.gz DMCUEQMNSNAMQA-ZDUSSCGKSA-N 0 0 300.406 3.021 20 10 DGCDRN CN(C)c1ccc(CN2CCC=C(Br)C2)cc1F ZINC000799736201 626326527 /nfs/dbraw/zinc/32/65/27/626326527.db2.gz YXXRJDSLDONLKG-UHFFFAOYSA-N 0 0 313.214 3.376 20 10 DGCDRN CSCC(C)(C)C(=O)NCCCSc1nccs1 ZINC000800490574 626364431 /nfs/dbraw/zinc/36/44/31/626364431.db2.gz HXZPJJOYSUKINY-UHFFFAOYSA-N 0 0 304.506 3.131 20 10 DGCDRN CSCCCC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839918477 626371339 /nfs/dbraw/zinc/37/13/39/626371339.db2.gz MHLUCANTXPGYBF-CQSZACIVSA-N 0 0 308.491 3.251 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CCCS1 ZINC000839918085 626371373 /nfs/dbraw/zinc/37/13/73/626371373.db2.gz JMXQIWMQPVJFKZ-XJKSGUPXSA-N 0 0 306.475 3.004 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1CCCS1 ZINC000839918083 626371446 /nfs/dbraw/zinc/37/14/46/626371446.db2.gz JMXQIWMQPVJFKZ-CZUORRHYSA-N 0 0 306.475 3.004 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H](C)OCC(C)C ZINC000839918591 626372193 /nfs/dbraw/zinc/37/21/93/626372193.db2.gz MWTADRYJEJJGQK-HZPDHXFCSA-N 0 0 320.477 3.169 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCc1ccoc1 ZINC000839920195 626373200 /nfs/dbraw/zinc/37/32/00/626373200.db2.gz NDWSYGJNFLWYSH-OAHLLOKOSA-N 0 0 314.429 3.334 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cccnc1C ZINC000839919961 626373418 /nfs/dbraw/zinc/37/34/18/626373418.db2.gz YHSASCYWVYBRMP-CQSZACIVSA-N 0 0 311.429 3.125 20 10 DGCDRN CO[C@H](C)c1nsc(NCCCSc2nccs2)n1 ZINC000800851489 626379176 /nfs/dbraw/zinc/37/91/76/626379176.db2.gz CIRPFDZTVCTXLC-MRVPVSSYSA-N 0 0 316.477 3.296 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1CCCSC1 ZINC000839922664 626379620 /nfs/dbraw/zinc/37/96/20/626379620.db2.gz XWAQRHMYFGTLMM-GDBMZVCRSA-N 0 0 320.502 3.251 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCC(C)(C)C(F)(F)F)cc1 ZINC000800904100 626384247 /nfs/dbraw/zinc/38/42/47/626384247.db2.gz BSVSGNDFJWLDKR-UHFFFAOYSA-N 0 0 317.355 3.140 20 10 DGCDRN COc1ccc(CNC(=O)N[C@H](C)c2ccsc2)c(O)c1 ZINC000801066040 626392546 /nfs/dbraw/zinc/39/25/46/626392546.db2.gz JZJCWGFPYMKQFP-SNVBAGLBSA-N 0 0 306.387 3.023 20 10 DGCDRN Cc1ccc(C(=O)O[C@@H](C)c2nc3ccccc3o2)c(O)c1O ZINC000801252401 626398371 /nfs/dbraw/zinc/39/83/71/626398371.db2.gz UQKOHHMSBSVQMY-JTQLQIEISA-N 0 0 313.309 3.465 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCOC[C@@H]1C ZINC000801549471 626409170 /nfs/dbraw/zinc/40/91/70/626409170.db2.gz PGPFJLRRRWFLFZ-GOEBONIOSA-N 0 0 305.418 3.194 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCOCC23CC3)cc1 ZINC000801743702 626417027 /nfs/dbraw/zinc/41/70/27/626417027.db2.gz SXKKVNOUPJLDMG-UHFFFAOYSA-N 0 0 310.397 3.099 20 10 DGCDRN C[C@@H](NC(=O)N[C@H]1CSC1(C)C)c1ccc(N(C)C)cc1 ZINC000801764198 626417244 /nfs/dbraw/zinc/41/72/44/626417244.db2.gz SSFPCTDSQZRZTF-RISCZKNCSA-N 0 0 307.463 3.007 20 10 DGCDRN Cc1nc2c(cccc2C(=O)NCc2ccc(N(C)C)cc2C)[nH]1 ZINC000801902281 626424763 /nfs/dbraw/zinc/42/47/63/626424763.db2.gz FDEDILDMNHJGDM-UHFFFAOYSA-N 0 0 322.412 3.176 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)COCC ZINC000802299277 626558131 /nfs/dbraw/zinc/55/81/31/626558131.db2.gz BOFBPHQAYCQULW-AWEZNQCLSA-N 0 0 308.422 3.129 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc[nH]c2C(C)C)c1 ZINC000802782328 626571457 /nfs/dbraw/zinc/57/14/57/626571457.db2.gz SCUIIRJXZYPJSK-NSHDSACASA-N 0 0 302.374 3.343 20 10 DGCDRN CCc1ccc2occ(C(=O)NCc3ccc(O)c(O)c3)c2c1 ZINC000802783631 626571949 /nfs/dbraw/zinc/57/19/49/626571949.db2.gz AEYXUHSPOMFVRM-UHFFFAOYSA-N 0 0 311.337 3.336 20 10 DGCDRN COc1ccc(CNC(=O)c2ccc3c(c2)CCC=C3)c(O)c1 ZINC000803292598 626602894 /nfs/dbraw/zinc/60/28/94/626602894.db2.gz RRUNBAQHAQJPEB-UHFFFAOYSA-N 0 0 309.365 3.290 20 10 DGCDRN CCCC(O)(CCC)CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000131492089 626644867 /nfs/dbraw/zinc/64/48/67/626644867.db2.gz GKWIJORZPLZTOX-UHFFFAOYSA-N 0 0 324.440 3.229 20 10 DGCDRN Cc1cc(NCc2ccc(N3CCC(O)CC3)cc2)cnc1C ZINC000883340923 626653800 /nfs/dbraw/zinc/65/38/00/626653800.db2.gz CUWFKQBEHXOYJI-UHFFFAOYSA-N 0 0 311.429 3.272 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-])[C@@H]1CCCOC1 ZINC000883352356 626657175 /nfs/dbraw/zinc/65/71/75/626657175.db2.gz ZKPUFPYRGCAKBY-BJJXKVORSA-N 0 0 321.417 3.035 20 10 DGCDRN CC[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)[C@H]1CCCOC1 ZINC000883353484 626657234 /nfs/dbraw/zinc/65/72/34/626657234.db2.gz VNGVJCXMOPWURR-GXFFZTMASA-N 0 0 301.789 3.480 20 10 DGCDRN CC[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)[C@H]1CCCOC1 ZINC000883353483 626657257 /nfs/dbraw/zinc/65/72/57/626657257.db2.gz VNGVJCXMOPWURR-GWCFXTLKSA-N 0 0 301.789 3.480 20 10 DGCDRN COc1ccc(N(C)Cc2nc(CCC(C)C)no2)c(OC)c1 ZINC000131620826 626660338 /nfs/dbraw/zinc/66/03/38/626660338.db2.gz GTFOMPUFRCQFRC-UHFFFAOYSA-N 0 0 319.405 3.312 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1c(F)cccc1[N+](=O)[O-] ZINC000804605000 626696890 /nfs/dbraw/zinc/69/68/90/626696890.db2.gz KZPPNOZEAFWKNE-VIFPVBQESA-N 0 0 306.293 3.188 20 10 DGCDRN CC[C@H]([NH2+]C[C@H](O)COCC(C)C)c1cccc(Cl)c1[O-] ZINC000806133460 626701237 /nfs/dbraw/zinc/70/12/37/626701237.db2.gz NOLQMTUPXGJXKK-WFASDCNBSA-N 0 0 315.841 3.120 20 10 DGCDRN C[C@@H](c1ccccc1)N1CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000883570008 626706856 /nfs/dbraw/zinc/70/68/56/626706856.db2.gz QMZVLMAKTLJLLD-HNNXBMFYSA-N 0 0 324.428 3.180 20 10 DGCDRN CCN(CC)c1ccc(CNc2ccc(CCO)nc2)cc1F ZINC000806670220 626730029 /nfs/dbraw/zinc/73/00/29/626730029.db2.gz KCWCBVQVRUZVHN-UHFFFAOYSA-N 0 0 317.408 3.214 20 10 DGCDRN COCC[N@@H+](Cc1cccc(Br)c1[O-])CC(C)C ZINC000132645863 626732720 /nfs/dbraw/zinc/73/27/20/626732720.db2.gz NZSJSGXILRKPMP-UHFFFAOYSA-N 0 0 316.239 3.259 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCCC1(F)F ZINC000806822293 626735631 /nfs/dbraw/zinc/73/56/31/626735631.db2.gz ZAJOQCWZULJQEH-AWEZNQCLSA-N 0 0 311.376 3.048 20 10 DGCDRN C[C@H](NC(=O)NCC(C)(C)CC(F)F)c1ccccc1O ZINC000883817273 626750731 /nfs/dbraw/zinc/75/07/31/626750731.db2.gz OIVAHQCMOJKEQP-JTQLQIEISA-N 0 0 300.349 3.434 20 10 DGCDRN COc1cc(C[N@@H+]2CCOC[C@H]2CC2CCC2)c(O)cc1C ZINC000840093746 626755543 /nfs/dbraw/zinc/75/55/43/626755543.db2.gz JWGSBOHEFODGTC-MRXNPFEDSA-N 0 0 305.418 3.100 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CSC[C@H]1C ZINC000807477752 626758406 /nfs/dbraw/zinc/75/84/06/626758406.db2.gz XLCVZJNLUPGWBT-TZMCWYRMSA-N 0 0 308.447 3.065 20 10 DGCDRN C[C@H]1CC[C@@H]1NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000807557326 626759793 /nfs/dbraw/zinc/75/97/93/626759793.db2.gz XYCSQLYAFFDRBS-BBRMVZONSA-N 0 0 314.385 3.496 20 10 DGCDRN Cc1cc(C(=O)Cn2cnc([N+](=O)[O-])c2)c(C)n1-c1ccccc1 ZINC000029210522 626776052 /nfs/dbraw/zinc/77/60/52/626776052.db2.gz YEGOXJRMKMIWNG-UHFFFAOYSA-N 0 0 324.340 3.082 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N1CC[C@@H](C)C1 ZINC000800012969 626791699 /nfs/dbraw/zinc/79/16/99/626791699.db2.gz UALJRNRMXKAGRZ-OAHLLOKOSA-N 0 0 303.450 3.425 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C)cc(C)c1 ZINC000808093250 626791977 /nfs/dbraw/zinc/79/19/77/626791977.db2.gz KZWBUNGOURVRKN-UHFFFAOYSA-N 0 0 304.386 3.425 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc2cc[nH]c21 ZINC000808095518 626792624 /nfs/dbraw/zinc/79/26/24/626792624.db2.gz HZUZVMJYKXXPDE-UHFFFAOYSA-N 0 0 315.369 3.289 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1ccc(C)cc1 ZINC000808095677 626792688 /nfs/dbraw/zinc/79/26/88/626792688.db2.gz NUHDLZDWLSOEJG-UHFFFAOYSA-N 0 0 304.386 3.045 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@@H](C3CC3)C2)cc1OC ZINC000808124981 626794018 /nfs/dbraw/zinc/79/40/18/626794018.db2.gz DCYGFHGMIGFNJF-GFCCVEGCSA-N 0 0 306.362 3.238 20 10 DGCDRN Cc1cc(C(=O)NCc2ccncn2)c(C)n1-c1ccccc1C ZINC000808149008 626797184 /nfs/dbraw/zinc/79/71/84/626797184.db2.gz DUNAPBSHLGBIJW-UHFFFAOYSA-N 0 0 320.396 3.123 20 10 DGCDRN CN(Cc1nncn1C)Cc1cc2oc3ccccc3c2cc1O ZINC000808214740 626806172 /nfs/dbraw/zinc/80/61/72/626806172.db2.gz SRBRNNAFQOLTHE-UHFFFAOYSA-N 0 0 322.368 3.052 20 10 DGCDRN CC(=O)C(=O)COC(=O)CCCc1cc(Cl)sc1Cl ZINC000808526057 626836310 /nfs/dbraw/zinc/83/63/10/626836310.db2.gz KIQLOABHWJPXBI-UHFFFAOYSA-N 0 0 323.197 3.079 20 10 DGCDRN Cc1cc(Cl)cc([C@@H](C)N[C@H](C)c2nnnn2C2CC2)c1O ZINC000808716437 626853226 /nfs/dbraw/zinc/85/32/26/626853226.db2.gz NOLYMJIMNILMQT-NXEZZACHSA-N 0 0 321.812 3.087 20 10 DGCDRN O=C1/C(=C/c2cnccn2)SC(=S)N1c1ccc(F)cc1 ZINC000809151992 626886858 /nfs/dbraw/zinc/88/68/58/626886858.db2.gz ACNNLPQDKLSGFL-GHXNOFRVSA-N 0 0 317.370 3.022 20 10 DGCDRN COc1ncc(/C=C/C(=O)N(C)c2ccccc2C(C)C)cn1 ZINC000809390063 626909235 /nfs/dbraw/zinc/90/92/35/626909235.db2.gz CFHMHVQZDLSRJE-MDZDMXLPSA-N 0 0 311.385 3.285 20 10 DGCDRN COc1cc(CN2Cc3ccc(C(C)=O)cc3C2)c(O)cc1C ZINC000840178356 626914784 /nfs/dbraw/zinc/91/47/84/626914784.db2.gz CLJVDRBDATWOBC-UHFFFAOYSA-N 0 0 311.381 3.428 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cncc(C(F)(F)F)c1 ZINC000809613176 626926019 /nfs/dbraw/zinc/92/60/19/626926019.db2.gz MYINQIFBDIJYNO-UHFFFAOYSA-N 0 0 310.275 3.078 20 10 DGCDRN C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1c([O-])ccc(Cl)c1F ZINC000809703675 626939562 /nfs/dbraw/zinc/93/95/62/626939562.db2.gz OIFZJOHYJQCPCE-NEPJUHHUSA-N 0 0 312.816 3.243 20 10 DGCDRN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@@H](O)C(F)(F)F ZINC000809751597 626946422 /nfs/dbraw/zinc/94/64/22/626946422.db2.gz SXPXACXHEDYDIC-SECBINFHSA-N 0 0 318.122 3.054 20 10 DGCDRN CCCC[N@H+](CCCO)Cc1cccc(Br)c1[O-] ZINC000809752310 626946511 /nfs/dbraw/zinc/94/65/11/626946511.db2.gz PEVKGHOYTRNDNO-UHFFFAOYSA-N 0 0 316.239 3.139 20 10 DGCDRN CN(CC[N@H+](C)C1CC1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809755482 626947055 /nfs/dbraw/zinc/94/70/55/626947055.db2.gz RFXYVWMRIRJDCT-UHFFFAOYSA-N 0 0 303.233 3.225 20 10 DGCDRN Fc1cccc2c1N(Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000809767808 626949889 /nfs/dbraw/zinc/94/98/89/626949889.db2.gz USUHDVQPKYCMQO-UHFFFAOYSA-N 0 0 312.388 3.225 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])[C@@H](O)c1ccccc1 ZINC000809786744 626953337 /nfs/dbraw/zinc/95/33/37/626953337.db2.gz JYBKEOMHBUEHND-MEBBXXQBSA-N 0 0 309.768 3.396 20 10 DGCDRN CCN(CC)c1ccc(CNS(=O)(=O)CCC2CCC2)cc1 ZINC000809809578 626955803 /nfs/dbraw/zinc/95/58/03/626955803.db2.gz RXKXDOWHKPMREY-UHFFFAOYSA-N 0 0 324.490 3.142 20 10 DGCDRN C[C@@H](c1ccccc1)N(C)C(=O)COc1ccc(N(C)C)cc1 ZINC000810002437 626967512 /nfs/dbraw/zinc/96/75/12/626967512.db2.gz XHFHYFSBFDVGNN-HNNXBMFYSA-N 0 0 312.413 3.351 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCCC(=O)[C@@H]1C ZINC000885039811 626968480 /nfs/dbraw/zinc/96/84/80/626968480.db2.gz QSDLAQQWTYKBGD-ZDUSSCGKSA-N 0 0 316.426 3.349 20 10 DGCDRN CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000810258097 626994008 /nfs/dbraw/zinc/99/40/08/626994008.db2.gz ZGLHEKYYMDNXRT-HLTSFMKQSA-N 0 0 320.202 3.368 20 10 DGCDRN Cc1c(Cl)nccc1NC(=O)N(C)Cc1ccccc1O ZINC000810294985 626998223 /nfs/dbraw/zinc/99/82/23/626998223.db2.gz DRNRQTYLUAAJCC-UHFFFAOYSA-N 0 0 305.765 3.413 20 10 DGCDRN CC1(C)C[C@H](O)c2cccc(NC(=O)C3=CC(=O)CS3)c2O1 ZINC000885659897 627039473 /nfs/dbraw/zinc/03/94/73/627039473.db2.gz UJJPOUQQSGPZEG-LBPRGKRZSA-N 0 0 319.382 3.301 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)CSCC(C)(C)C)cc1 ZINC000840206666 627041068 /nfs/dbraw/zinc/04/10/68/627041068.db2.gz HWJZPTBXNUMDQE-UHFFFAOYSA-N 0 0 308.491 3.490 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(F)c(C)cc2F)c1 ZINC000136747274 627103657 /nfs/dbraw/zinc/10/36/57/627103657.db2.gz NGVMQDZMNVOMTN-SNVBAGLBSA-N 0 0 321.323 3.478 20 10 DGCDRN C[C@H](O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000136827264 627103830 /nfs/dbraw/zinc/10/38/30/627103830.db2.gz XHGLWRRKEDDJNA-UWVGGRQHSA-N 0 0 304.217 3.292 20 10 DGCDRN CCN(CC)c1ccc(CNc2n[nH]c3c2COCC3)cc1F ZINC000886206326 627121038 /nfs/dbraw/zinc/12/10/38/627121038.db2.gz QHMBMZLAVSYOKJ-UHFFFAOYSA-N 0 0 318.396 3.080 20 10 DGCDRN COc1ccc([C@@H](CCO)[NH2+][C@H](C)c2c([O-])cccc2F)cc1 ZINC000886543494 627160412 /nfs/dbraw/zinc/16/04/12/627160412.db2.gz PSIXCZJEJUFXLB-MLGOLLRUSA-N 0 0 319.376 3.314 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1c([O-])cccc1F ZINC000886553897 627162552 /nfs/dbraw/zinc/16/25/52/627162552.db2.gz XRDBRDPSOHHGOL-OZVIIMIRSA-N 0 0 311.422 3.237 20 10 DGCDRN C[C@@H]([NH2+]CC[C@](C)(O)c1ccccc1)c1c([O-])cccc1F ZINC000886594075 627169164 /nfs/dbraw/zinc/16/91/64/627169164.db2.gz FRXQXWLICOLHKX-ACJLOTCBSA-N 0 0 303.377 3.480 20 10 DGCDRN C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886592577 627169480 /nfs/dbraw/zinc/16/94/80/627169480.db2.gz XNZMRRNJLJKNKL-MNOVXSKESA-N 0 0 312.385 3.095 20 10 DGCDRN C[C@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1c([O-])cccc1F ZINC000886607666 627172001 /nfs/dbraw/zinc/17/20/01/627172001.db2.gz WFBHZDJGJXTPDO-VIFPVBQESA-N 0 0 312.291 3.379 20 10 DGCDRN C[C@@H]([NH2+]Cc1cccnc1N1CCCC1)c1c([O-])cccc1F ZINC000886636716 627177706 /nfs/dbraw/zinc/17/77/06/627177706.db2.gz SXWXZQXPEYRIFG-CYBMUJFWSA-N 0 0 315.392 3.377 20 10 DGCDRN C[C@@H]([NH2+]Cc1cccc2c1CCOC2)c1c([O-])cccc1F ZINC000886646158 627179473 /nfs/dbraw/zinc/17/94/73/627179473.db2.gz AVHDTVSOOALSCF-GFCCVEGCSA-N 0 0 301.361 3.455 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H](O)Cc1ccccc1F)c1ccc(F)cc1[O-] ZINC000886674512 627186972 /nfs/dbraw/zinc/18/69/72/627186972.db2.gz MVCHDPFMDOFUMG-YOEHRIQHSA-N 0 0 321.367 3.315 20 10 DGCDRN CC[C@@H](N[C@@H](CCO)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000886799029 627205735 /nfs/dbraw/zinc/20/57/35/627205735.db2.gz LPANPTQWMGCNQD-KGLIPLIRSA-N 0 0 304.356 3.107 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(Cl)cn1 ZINC000887276877 627239982 /nfs/dbraw/zinc/23/99/82/627239982.db2.gz BOUHIGUOYKNMOI-XYOKQWHBSA-N 0 0 307.806 3.191 20 10 DGCDRN C[C@H]1CN(Cc2cc(Cl)ccc2O)c2ccccc2C(=O)N1 ZINC000811508754 627284231 /nfs/dbraw/zinc/28/42/31/627284231.db2.gz ATTJAASKKYUHPW-NSHDSACASA-N 0 0 316.788 3.184 20 10 DGCDRN O=C1COc2c(NCc3cc(Cl)cc(F)c3O)cccc2N1 ZINC000811510841 627284902 /nfs/dbraw/zinc/28/49/02/627284902.db2.gz PXCDNBMZPQSTKJ-UHFFFAOYSA-N 0 0 322.723 3.128 20 10 DGCDRN Cc1cnn([C@H]2CC[N@H+](Cc3cc(Cl)cc(F)c3[O-])C2)c1 ZINC000811520352 627286890 /nfs/dbraw/zinc/28/68/90/627286890.db2.gz NMPQOGPQWKFPME-ZDUSSCGKSA-N 0 0 309.772 3.137 20 10 DGCDRN Cc1nn(C)c2ncc(/C=C3/c4cc(C)ccc4N(C)C3=O)cc12 ZINC000811699369 627307740 /nfs/dbraw/zinc/30/77/40/627307740.db2.gz SJCFQWHLGGYPLP-SXGWCWSVSA-N 0 0 318.380 3.102 20 10 DGCDRN CCc1ccccc1NC(=S)NCc1ncccc1N(C)C ZINC000811709924 627309391 /nfs/dbraw/zinc/30/93/91/627309391.db2.gz SKLHSHFOOZPRNP-UHFFFAOYSA-N 0 0 314.458 3.197 20 10 DGCDRN Cc1ccc(OCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000302054812 627310296 /nfs/dbraw/zinc/31/02/96/627310296.db2.gz QDIVZFGTLCDCAL-UHFFFAOYSA-N 0 0 312.413 3.098 20 10 DGCDRN CCOc1ccc(CNc2nc3cc(Cl)ccn3n2)c(O)c1 ZINC000811839743 627328280 /nfs/dbraw/zinc/32/82/80/627328280.db2.gz DQXPFKQWZIVRCL-UHFFFAOYSA-N 0 0 318.764 3.099 20 10 DGCDRN CCn1c(-c2ncccc2C)nnc1N(C)Cc1ccccc1O ZINC000812038155 627349136 /nfs/dbraw/zinc/34/91/36/627349136.db2.gz HSQYIVLATZNFQV-UHFFFAOYSA-N 0 0 323.400 3.010 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC(C)(C)[C@@H]1C1CC1 ZINC000812047075 627349592 /nfs/dbraw/zinc/34/95/92/627349592.db2.gz DQNZFEFKTFRAPY-KRWDZBQOSA-N 0 0 315.461 3.391 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCOC2(CCC2)C1 ZINC000889011355 627370710 /nfs/dbraw/zinc/37/07/10/627370710.db2.gz RJKJMXAHAISBLP-OAHLLOKOSA-N 0 0 316.445 3.027 20 10 DGCDRN CO[C@@](C)(C(=O)NCc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000812486084 627391492 /nfs/dbraw/zinc/39/14/92/627391492.db2.gz CYJCWGKODJZBQU-LJQANCHMSA-N 0 0 316.445 3.108 20 10 DGCDRN c1csc(SCCCNc2cc(NC3CC3)ncn2)n1 ZINC000840261729 627408885 /nfs/dbraw/zinc/40/88/85/627408885.db2.gz TWCPCBUXXOOFDP-UHFFFAOYSA-N 0 0 307.448 3.102 20 10 DGCDRN Cc1cc(C(=O)OC[C@@H](C)[N+](=O)[O-])c(C)n1-c1ccc(F)cc1 ZINC000813108562 627451174 /nfs/dbraw/zinc/45/11/74/627451174.db2.gz HQJDIYIQCJPSCQ-LLVKDONJSA-N 0 0 320.320 3.055 20 10 DGCDRN C[C@H]1CC(C)(C)CN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000840282006 627461673 /nfs/dbraw/zinc/46/16/73/627461673.db2.gz YNZXPYQEPGYQBJ-LBPRGKRZSA-N 0 0 307.413 3.222 20 10 DGCDRN Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1ccc(C)c(O)c1O ZINC000813523012 627496015 /nfs/dbraw/zinc/49/60/15/627496015.db2.gz CILJYNPPQVIGMM-UHFFFAOYSA-N 0 0 323.352 3.357 20 10 DGCDRN Cc1ccoc1CN(C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000813647739 627506053 /nfs/dbraw/zinc/50/60/53/627506053.db2.gz XYRFUOOEFXEYBD-UHFFFAOYSA-N 0 0 315.417 3.304 20 10 DGCDRN CC[C@@H]([NH2+]C1COCCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000813878714 627518135 /nfs/dbraw/zinc/51/81/35/627518135.db2.gz FQDJOENIRHCMEU-GFCCVEGCSA-N 0 0 320.216 3.155 20 10 DGCDRN CC[C@H]([NH2+]C1COCCOC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000813880845 627518288 /nfs/dbraw/zinc/51/82/88/627518288.db2.gz QVQBUKQWUWBVKO-ZDUSSCGKSA-N 0 0 320.216 3.155 20 10 DGCDRN OC[C@@H]1Cc2ccccc2N(Cc2c(O)cccc2Cl)C1 ZINC000814169940 627545700 /nfs/dbraw/zinc/54/57/00/627545700.db2.gz PSWPSUAVZMHJLR-GFCCVEGCSA-N 0 0 303.789 3.217 20 10 DGCDRN c1ccc(CN2CCc3cc(CN4CCO[C@H]5C[C@H]54)ccc32)cc1 ZINC000814172210 627546779 /nfs/dbraw/zinc/54/67/79/627546779.db2.gz CQDPRYGLZZTRJE-RTWAWAEBSA-N 0 0 320.436 3.222 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)[C@@H]1CC(C)(C)OC1=O ZINC000814180024 627548130 /nfs/dbraw/zinc/54/81/30/627548130.db2.gz MGIITYYXQDDLCH-QGZVFWFLSA-N 0 0 316.445 3.203 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CNC(=S)NC1CCC1 ZINC000814204856 627551095 /nfs/dbraw/zinc/55/10/95/627551095.db2.gz NKLZCTJLNWUIRD-UHFFFAOYSA-N 0 0 305.230 3.216 20 10 DGCDRN NC(=O)Nc1cc(NCc2c(O)cccc2Cl)ccc1F ZINC000814301415 627557926 /nfs/dbraw/zinc/55/79/26/627557926.db2.gz ZCZRIXYVMYTQLG-UHFFFAOYSA-N 0 0 309.728 3.287 20 10 DGCDRN Cc1ncc(/C=C/C(=O)N2CCc3c2c(F)ccc3F)s1 ZINC000814428411 627564498 /nfs/dbraw/zinc/56/44/98/627564498.db2.gz XFMAPTOHSYTFFA-GORDUTHDSA-N 0 0 306.337 3.332 20 10 DGCDRN CN(C)c1ccc(/C=C(\C(N)=S)c2nc3ccccc3[nH]2)cc1 ZINC000007675658 627571228 /nfs/dbraw/zinc/57/12/28/627571228.db2.gz GABKFCHEEPGZKC-SDNWHVSQSA-N 0 0 322.437 3.456 20 10 DGCDRN COc1ccc(N2CCN(C(=O)CC(C)(C)C3CC3)CC2)cc1 ZINC000814721066 627586442 /nfs/dbraw/zinc/58/64/42/627586442.db2.gz VPLZVJFEHLEPLQ-UHFFFAOYSA-N 0 0 316.445 3.170 20 10 DGCDRN COCc1ccc(CN(C)c2ccc(OC)cc2OC)cc1 ZINC000815076080 627622764 /nfs/dbraw/zinc/62/27/64/627622764.db2.gz KOMYFKPDGWXHCF-UHFFFAOYSA-N 0 0 301.386 3.487 20 10 DGCDRN CCN(C)c1ccc(CN2CC(=O)N(C)[C@H]2c2ccccc2)cc1 ZINC000815100714 627626601 /nfs/dbraw/zinc/62/66/01/627626601.db2.gz SQCNXLPEPXPIMM-HXUWFJFHSA-N 0 0 323.440 3.116 20 10 DGCDRN C[C@@H]([NH2+]Cc1cccc(Br)c1[O-])c1cc[nH]c(=O)c1 ZINC000815148530 627637242 /nfs/dbraw/zinc/63/72/42/627637242.db2.gz YTROBOGTFBAUST-SECBINFHSA-N 0 0 323.190 3.106 20 10 DGCDRN Cc1nc(C(C)C)ccc1COC(=O)c1cccc(O)c1O ZINC000815234607 627648898 /nfs/dbraw/zinc/64/88/98/627648898.db2.gz MJJVOTGDOACZTA-UHFFFAOYSA-N 0 0 301.342 3.282 20 10 DGCDRN COc1cc([C@H](C)NCc2ccc(N3CCCC3)cc2)on1 ZINC000924646324 627662252 /nfs/dbraw/zinc/66/22/52/627662252.db2.gz AJGJGZWEXXTEFF-ZDUSSCGKSA-N 0 0 301.390 3.134 20 10 DGCDRN CC(C)=CC[C@@H]1NC(=O)N([C@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000924714389 627672132 /nfs/dbraw/zinc/67/21/32/627672132.db2.gz BZAQIZVVUHTPRZ-CJNGLKHVSA-N 0 0 315.417 3.090 20 10 DGCDRN C[C@H]([NH2+]CC(C)(C)N(C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000815553036 627684239 /nfs/dbraw/zinc/68/42/39/627684239.db2.gz QIZCDOBHPWRCQJ-JTQLQIEISA-N 0 0 304.356 3.402 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1cccc(C(F)(F)F)c1[O-] ZINC000815565881 627685369 /nfs/dbraw/zinc/68/53/69/627685369.db2.gz CLCKPBDKPBIRTR-MNOVXSKESA-N 0 0 302.340 3.156 20 10 DGCDRN CC[C@@H](CCO)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815587447 627688274 /nfs/dbraw/zinc/68/82/74/627688274.db2.gz JWNPCQSVCALHQA-MNOVXSKESA-N 0 0 305.340 3.470 20 10 DGCDRN CC[C@H](CCO)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815587446 627688334 /nfs/dbraw/zinc/68/83/34/627688334.db2.gz JWNPCQSVCALHQA-GHMZBOCLSA-N 0 0 305.340 3.470 20 10 DGCDRN C[C@H]([NH2+]CCc1ccn(C)n1)c1cccc(C(F)(F)F)c1[O-] ZINC000815616296 627690804 /nfs/dbraw/zinc/69/08/04/627690804.db2.gz KWEVFMKHQGGTJM-JTQLQIEISA-N 0 0 313.323 3.038 20 10 DGCDRN C[C@@H]([NH2+]CC[C@H]1CCOC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815615702 627690819 /nfs/dbraw/zinc/69/08/19/627690819.db2.gz VLLAQYQHTGLUNV-MNOVXSKESA-N 0 0 303.324 3.488 20 10 DGCDRN C[C@H]([NH2+]CCc1ccnn1C)c1cccc(C(F)(F)F)c1[O-] ZINC000815616681 627690924 /nfs/dbraw/zinc/69/09/24/627690924.db2.gz VTLSCPCWXWGZET-JTQLQIEISA-N 0 0 313.323 3.038 20 10 DGCDRN Cc1ccc([C@H](C)NCc2ncn(-c3ccccc3)n2)c(O)c1 ZINC000815657949 627695923 /nfs/dbraw/zinc/69/59/23/627695923.db2.gz NKYKRGYTQVSGKO-AWEZNQCLSA-N 0 0 308.385 3.132 20 10 DGCDRN C[C@@H](NC(=O)c1c[nH]nc1C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000816180414 627750103 /nfs/dbraw/zinc/75/01/03/627750103.db2.gz OJIQELLZLOIAOS-GFCCVEGCSA-N 0 0 314.433 3.264 20 10 DGCDRN C[C@H](c1ccc(N(C)C)cc1)[N@@H+]1CCOc2ccc(N)cc2C1 ZINC000925750952 627787200 /nfs/dbraw/zinc/78/72/00/627787200.db2.gz WRULUKPAGMEMSG-CQSZACIVSA-N 0 0 311.429 3.290 20 10 DGCDRN Oc1c(CN2CCn3c(nnc3C3CC3)C2)ccc2ccccc21 ZINC000816506937 627798699 /nfs/dbraw/zinc/79/86/99/627798699.db2.gz QTRJOSLFWQJHIL-UHFFFAOYSA-N 0 0 320.396 3.030 20 10 DGCDRN Oc1cc(F)c(Cl)cc1CNc1cccc(-n2ccnn2)c1 ZINC000816524410 627802322 /nfs/dbraw/zinc/80/23/22/627802322.db2.gz DRCJDZCEVMSZPH-UHFFFAOYSA-N 0 0 318.739 3.378 20 10 DGCDRN C[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])N1CCC[C@@H](C)C1 ZINC000816535586 627803284 /nfs/dbraw/zinc/80/32/84/627803284.db2.gz UERVCOSLMZZDCS-NEPJUHHUSA-N 0 0 314.832 3.395 20 10 DGCDRN C[C@@H](CN1CCCCC1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816534730 627803620 /nfs/dbraw/zinc/80/36/20/627803620.db2.gz SFJIUZWKUQNSQN-NSHDSACASA-N 0 0 300.805 3.149 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCOc1cccc(F)c1 ZINC000816536662 627804121 /nfs/dbraw/zinc/80/41/21/627804121.db2.gz GFLPWPUJMCEUFW-UHFFFAOYSA-N 0 0 313.731 3.492 20 10 DGCDRN C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816550443 627805977 /nfs/dbraw/zinc/80/59/77/627805977.db2.gz RCUXXEIFFLTUPY-ZBEGNZNMSA-N 0 0 323.795 3.439 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000816550311 627805987 /nfs/dbraw/zinc/80/59/87/627805987.db2.gz NVQUHSWSMPIMQA-AWEZNQCLSA-N 0 0 313.731 3.147 20 10 DGCDRN Cc1ccc(C[N@H+](CCO)Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816567111 627809471 /nfs/dbraw/zinc/80/94/71/627809471.db2.gz QNTJUEKLBJTPIS-UHFFFAOYSA-N 0 0 323.795 3.488 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H](CO)c1ccsc1 ZINC000816571321 627810327 /nfs/dbraw/zinc/81/03/27/627810327.db2.gz ZPUHTFRSADZHIR-GFCCVEGCSA-N 0 0 301.770 3.069 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000816591749 627812844 /nfs/dbraw/zinc/81/28/44/627812844.db2.gz MXGSBJWFDAWWPH-NSHDSACASA-N 0 0 307.752 3.147 20 10 DGCDRN COC(=O)CC1([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCCC1 ZINC000816595016 627812870 /nfs/dbraw/zinc/81/28/70/627812870.db2.gz WKCQLYOKCVBLTJ-UHFFFAOYSA-N 0 0 315.772 3.150 20 10 DGCDRN OC[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)c2ccccc21 ZINC000816637303 627817477 /nfs/dbraw/zinc/81/74/77/627817477.db2.gz ZGKZIMIZTFUMRJ-JTQLQIEISA-N 0 0 307.752 3.281 20 10 DGCDRN COCC1(CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCC1 ZINC000816638422 627818231 /nfs/dbraw/zinc/81/82/31/627818231.db2.gz LQWMXKODXPWAPO-UHFFFAOYSA-N 0 0 301.789 3.481 20 10 DGCDRN C[C@H](C(=O)NCc1cc(Br)ccc1O)C(C)(F)F ZINC000816654149 627820994 /nfs/dbraw/zinc/82/09/94/627820994.db2.gz VRDPSAFDODWDJO-SSDOTTSWSA-N 0 0 322.149 3.062 20 10 DGCDRN COCCOC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000926694500 627934079 /nfs/dbraw/zinc/93/40/79/627934079.db2.gz XJPJNKDHEHZUAE-UHFFFAOYSA-N 0 0 321.804 3.480 20 10 DGCDRN CCOCCO[C@H](C)C(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000817762164 627947509 /nfs/dbraw/zinc/94/75/09/627947509.db2.gz SRTNFUISRIUVJW-CQSZACIVSA-N 0 0 319.401 3.142 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1F ZINC000817881425 627952896 /nfs/dbraw/zinc/95/28/96/627952896.db2.gz RRPAVWBKWIJEAY-ZFWWWQNUSA-N 0 0 322.424 3.357 20 10 DGCDRN CC(C)N(C(=O)c1csc(Cc2ccc(N)cc2)n1)C1CC1 ZINC000817917836 627961478 /nfs/dbraw/zinc/96/14/78/627961478.db2.gz UCDKPGSQDBNIAQ-UHFFFAOYSA-N 0 0 315.442 3.329 20 10 DGCDRN CC[C@H](C)[C@@H](C)NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817923518 627962566 /nfs/dbraw/zinc/96/25/66/627962566.db2.gz LFCWLLCZTMMHKN-NWDGAFQWSA-N 0 0 317.458 3.481 20 10 DGCDRN C[C@@H]1CCC[C@@H]1NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817935807 627966769 /nfs/dbraw/zinc/96/67/69/627966769.db2.gz DWAYUDXANUSIMU-RISCZKNCSA-N 0 0 315.442 3.235 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCS[C@@H](C)C2)c1 ZINC000927032411 628000165 /nfs/dbraw/zinc/00/01/65/628000165.db2.gz MZKIGKDHMQUKIG-GVXVVHGQSA-N 0 0 309.431 3.114 20 10 DGCDRN COC(=O)c1cnc([C@@H](C)N[C@@H](C)c2ccc(C)cc2O)s1 ZINC000818357041 628017518 /nfs/dbraw/zinc/01/75/18/628017518.db2.gz UUWCWMHQCBWRPC-WDEREUQCSA-N 0 0 320.414 3.356 20 10 DGCDRN COc1ccc(O)c([C@@H](C)Nc2ccc(COCCO)cc2)c1 ZINC000818362608 628018990 /nfs/dbraw/zinc/01/89/90/628018990.db2.gz YKLNRXKJXWIGDU-CYBMUJFWSA-N 0 0 317.385 3.083 20 10 DGCDRN Nc1ccc(CCNC(=O)C2(Cc3ccccc3F)CC2)cc1 ZINC000818544750 628033574 /nfs/dbraw/zinc/03/35/74/628033574.db2.gz LXHGOMLDSKZYGD-UHFFFAOYSA-N 0 0 312.388 3.090 20 10 DGCDRN C[C@@H](Cc1cccc(Cl)c1)C(=O)NCCc1ccc(N)cc1 ZINC000818544613 628033588 /nfs/dbraw/zinc/03/35/88/628033588.db2.gz CMIKPZKRKYVISZ-ZDUSSCGKSA-N 0 0 316.832 3.460 20 10 DGCDRN COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2ccc(N)cc2)c1 ZINC000818556267 628035271 /nfs/dbraw/zinc/03/52/71/628035271.db2.gz GIYYMMMGHYNMJQ-ZBFHGGJFSA-N 0 0 312.369 3.028 20 10 DGCDRN C[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H]1C(=O)[O-] ZINC000818631806 628045443 /nfs/dbraw/zinc/04/54/43/628045443.db2.gz QSDSHUFRZLKUBY-QAPCUYQASA-N 0 0 316.445 3.362 20 10 DGCDRN Cc1ccc(Cl)cc1N(C)C(=O)/C=C\c1cncc(O)c1 ZINC000818817648 628056820 /nfs/dbraw/zinc/05/68/20/628056820.db2.gz ZTVTWVRNARRHCB-XQRVVYSFSA-N 0 0 302.761 3.425 20 10 DGCDRN C[C@H](NC(=O)C(F)=C1CCC1)c1ccc(N2CCOCC2)cc1 ZINC000819165962 628103804 /nfs/dbraw/zinc/10/38/04/628103804.db2.gz IRIWGKOJWSZUES-ZDUSSCGKSA-N 0 0 318.392 3.108 20 10 DGCDRN CC(C)CCC[C@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819166372 628103819 /nfs/dbraw/zinc/10/38/19/628103819.db2.gz VOZGYWPMYYMKIN-AWEZNQCLSA-N 0 0 318.417 3.371 20 10 DGCDRN CC[C@H](C1CCCC1)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819169042 628104448 /nfs/dbraw/zinc/10/44/48/628104448.db2.gz FXHLUVOHXBLHGI-OAHLLOKOSA-N 0 0 316.401 3.125 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)/C=C/[C@@H]2CCCO2)cc1F ZINC000819261136 628122866 /nfs/dbraw/zinc/12/28/66/628122866.db2.gz ZWWLMWRQKRDKLB-HQPKTYMTSA-N 0 0 320.408 3.023 20 10 DGCDRN COc1ccccc1NC[C@@H](O)COc1ccc(SC)cc1 ZINC000819394193 628146663 /nfs/dbraw/zinc/14/66/63/628146663.db2.gz SJHBUEJFUCNVPM-CYBMUJFWSA-N 0 0 319.426 3.269 20 10 DGCDRN O[C@H](CNc1ccccc1OCCF)COCc1ccccc1 ZINC000819486989 628162351 /nfs/dbraw/zinc/16/23/51/628162351.db2.gz BITNYZYBTQNKES-MRXNPFEDSA-N 0 0 319.376 3.025 20 10 DGCDRN COC(C)(C)[C@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000928595001 628166417 /nfs/dbraw/zinc/16/64/17/628166417.db2.gz NRFJAVXCPADJTI-AWEZNQCLSA-N 0 0 315.417 3.032 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNC(=O)C(F)=C3CCC3)C2)cc1 ZINC000819588509 628172320 /nfs/dbraw/zinc/17/23/20/628172320.db2.gz WQJQOMNQQVHIIG-ZDUSSCGKSA-N 0 0 318.392 3.045 20 10 DGCDRN CCCC[C@@H](C)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819591495 628172327 /nfs/dbraw/zinc/17/23/27/628172327.db2.gz SNSCOLOOUXAYCL-HZPDHXFCSA-N 0 0 318.461 3.464 20 10 DGCDRN O=C(NCc1c(O)cccc1F)C1(c2ccc(F)cc2)CCC1 ZINC000928709602 628180086 /nfs/dbraw/zinc/18/00/86/628180086.db2.gz JXMGQVFLSJFOPL-UHFFFAOYSA-N 0 0 317.335 3.409 20 10 DGCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)CC(CC)CC ZINC000819697004 628180458 /nfs/dbraw/zinc/18/04/58/628180458.db2.gz LEBXJAJRWBZPHF-UHFFFAOYSA-N 0 0 321.417 3.110 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)c1cccc(O)c1O)CCCC2 ZINC000819741772 628185119 /nfs/dbraw/zinc/18/51/19/628185119.db2.gz GHZLPLSWOIQNMX-UHFFFAOYSA-N 0 0 313.353 3.090 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNc3ncc(C)s3)C2)cc1 ZINC000819935994 628201306 /nfs/dbraw/zinc/20/13/06/628201306.db2.gz PRWHKYMDWVUMHW-ZDUSSCGKSA-N 0 0 303.431 3.399 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C1(OC(C)C)CCC1 ZINC000820035586 628215571 /nfs/dbraw/zinc/21/55/71/628215571.db2.gz OGFPTHWDQBBJCE-UHFFFAOYSA-N 0 0 304.434 3.025 20 10 DGCDRN Cc1cc(C(=O)N2Cc3c[nH]nc3C2)c(C)n1-c1cccc(C)c1 ZINC000820212692 628235774 /nfs/dbraw/zinc/23/57/74/628235774.db2.gz BDRRKSWSDXQKFE-UHFFFAOYSA-N 0 0 320.396 3.282 20 10 DGCDRN COc1cnc(C=Cc2ccc(N3CCCCC3)cc2)[nH]c1=O ZINC000821007112 628325201 /nfs/dbraw/zinc/32/52/01/628325201.db2.gz CTZWZUWJAMCJLW-YFHOEESVSA-N 0 0 311.385 3.352 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N[C@H]2CC3CCC2CC3)cc1 ZINC000821048825 628331771 /nfs/dbraw/zinc/33/17/71/628331771.db2.gz DMBUVOTULPLDOP-MGULZYLOSA-N 0 0 300.362 3.158 20 10 DGCDRN CCn1ccc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)c1C ZINC000821065919 628334180 /nfs/dbraw/zinc/33/41/80/628334180.db2.gz STDYSIBVDGVUQL-NSHDSACASA-N 0 0 302.374 3.022 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000840432827 628348026 /nfs/dbraw/zinc/34/80/26/628348026.db2.gz HFDDQFBFILCSTI-FMKPAKJESA-N 0 0 320.433 3.127 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NCC23CCC(CC2)C3)cc1 ZINC000821335113 628357730 /nfs/dbraw/zinc/35/77/30/628357730.db2.gz LTANWDQWSJNIPQ-UHFFFAOYSA-N 0 0 300.362 3.159 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1nccc2occc21 ZINC000821842757 628402411 /nfs/dbraw/zinc/40/24/11/628402411.db2.gz OBTQSVKOWHCYSG-UHFFFAOYSA-N 0 0 321.380 3.358 20 10 DGCDRN COCCCCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000822164478 628426424 /nfs/dbraw/zinc/42/64/24/628426424.db2.gz YMOMVHRORSKFII-UHFFFAOYSA-N 0 0 314.429 3.179 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)/C=C\[C@H]2CCOC2)cc1 ZINC000822269708 628434511 /nfs/dbraw/zinc/43/45/11/628434511.db2.gz SYTHDRKXAQEFNH-NLZINVLXSA-N 0 0 316.445 3.084 20 10 DGCDRN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000822357375 628444305 /nfs/dbraw/zinc/44/43/05/628444305.db2.gz BZPBQQITDPZPCE-GRYCIOLGSA-N 0 0 302.378 3.356 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1C[C@H]1C(F)(F)F ZINC000822495873 628457638 /nfs/dbraw/zinc/45/76/38/628457638.db2.gz RLOLKDJHLBLXNX-ZIAGYGMSSA-N 0 0 312.335 3.101 20 10 DGCDRN CCN(CC)c1ccc(CN(C)Cc2nc(C(F)F)no2)cc1 ZINC000822570384 628466243 /nfs/dbraw/zinc/46/62/43/628466243.db2.gz KNJSTMACKJFSJN-UHFFFAOYSA-N 0 0 324.375 3.485 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N(CC2CC2)C2CCC2)cc1 ZINC000822612922 628471238 /nfs/dbraw/zinc/47/12/38/628471238.db2.gz VWTQEHQSLDVGCJ-UHFFFAOYSA-N 0 0 300.362 3.254 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@]12C[C@H]1CCC2 ZINC000822834220 628500140 /nfs/dbraw/zinc/50/01/40/628500140.db2.gz VPTUWJFJULLLDG-ZSZQSSIHSA-N 0 0 300.446 3.298 20 10 DGCDRN COc1cccc2c1N(C(=O)/C=C\c1cccnc1C)CCC2 ZINC000822984974 628516090 /nfs/dbraw/zinc/51/60/90/628516090.db2.gz QXWOHQRWOGENDS-KHPPLWFESA-N 0 0 308.381 3.391 20 10 DGCDRN C[C@@H](NC(=O)N(C)Cc1ccccc1O)C1CCC(F)CC1 ZINC000823068193 628522771 /nfs/dbraw/zinc/52/27/71/628522771.db2.gz QLNSEHPXSHMFDV-DNOWBOINSA-N 0 0 308.397 3.450 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCC[C@H]2C2CC2)cc1 ZINC000823563662 628575105 /nfs/dbraw/zinc/57/51/05/628575105.db2.gz DYBZJIBMHNGTJB-HIFRSBDPSA-N 0 0 314.389 3.405 20 10 DGCDRN CN(C)c1ccc(CNCc2ccnc(Cl)c2F)cc1F ZINC000823736717 628591589 /nfs/dbraw/zinc/59/15/89/628591589.db2.gz LMNCDVBGIRASOA-UHFFFAOYSA-N 0 0 311.763 3.369 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1ccc2c(c1)NCC2 ZINC000823764981 628594807 /nfs/dbraw/zinc/59/48/07/628594807.db2.gz GCLNYHFFBZANOE-UHFFFAOYSA-N 0 0 324.424 3.342 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)CC(C)=C(C)C)C2)cc1 ZINC000823775751 628595647 /nfs/dbraw/zinc/59/56/47/628595647.db2.gz HERBOQIIJUCLKA-MRXNPFEDSA-N 0 0 316.445 3.384 20 10 DGCDRN O=C(C[C@@H]1CCCC1(F)F)NCc1cc(Cl)ccc1O ZINC000823987567 628616438 /nfs/dbraw/zinc/61/64/38/628616438.db2.gz VPOMKVXSTXUUBH-JTQLQIEISA-N 0 0 303.736 3.487 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NOCC1CCC1 ZINC000824111770 628628677 /nfs/dbraw/zinc/62/86/77/628628677.db2.gz MLGFGRWZJVRIDQ-CQSZACIVSA-N 0 0 319.449 3.023 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1cc2cccnc2o1 ZINC000824173233 628633972 /nfs/dbraw/zinc/63/39/72/628633972.db2.gz YWJXDICEPUJUTN-UHFFFAOYSA-N 0 0 309.369 3.293 20 10 DGCDRN C[C@@H]1CSc2ccccc2N(C(=O)/C=C/c2cn(C)cn2)C1 ZINC000824462105 628662371 /nfs/dbraw/zinc/66/23/71/628662371.db2.gz PJUDYOPDLCSTQP-GWJCSSMESA-N 0 0 313.426 3.208 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCCC1CCOCC1 ZINC000824477683 628664583 /nfs/dbraw/zinc/66/45/83/628664583.db2.gz VPHGNTJXOHTADF-UHFFFAOYSA-N 0 0 301.789 3.481 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H](CCF)C2)cc1 ZINC000824561766 628671204 /nfs/dbraw/zinc/67/12/04/628671204.db2.gz YUDGNBAPNUBGIZ-LLVKDONJSA-N 0 0 306.341 3.061 20 10 DGCDRN O=[N+]([O-])c1cc(CN2CC[C@@H](F)C2)ccc1N1CCCCC1 ZINC000824572228 628672499 /nfs/dbraw/zinc/67/24/99/628672499.db2.gz VMLYSYWZZUOUIX-CQSZACIVSA-N 0 0 307.369 3.129 20 10 DGCDRN C[C@H](Cc1ccco1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000824676263 628682390 /nfs/dbraw/zinc/68/23/90/628682390.db2.gz HZJJVCNMIPZGTI-CQSZACIVSA-N 0 0 312.413 3.157 20 10 DGCDRN C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CCC(F)CC1 ZINC000824689131 628684011 /nfs/dbraw/zinc/68/40/11/628684011.db2.gz ZQCSRHMHASGXGK-ZBOXLXRLSA-N 0 0 320.368 3.496 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000824721721 628687784 /nfs/dbraw/zinc/68/77/84/628687784.db2.gz IFSFWLMHAOSDKQ-LERXQTSPSA-N 0 0 313.800 3.310 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccn(CC)n1 ZINC000824926053 628708181 /nfs/dbraw/zinc/70/81/81/628708181.db2.gz ATVHQMZAYLORTK-UHFFFAOYSA-N 0 0 302.378 3.053 20 10 DGCDRN CC1(C)C[C@@H](O)CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000825090882 628726215 /nfs/dbraw/zinc/72/62/15/628726215.db2.gz MATJQWRKARLOBI-LBPRGKRZSA-N 0 0 301.789 3.168 20 10 DGCDRN COC[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000825321637 628749191 /nfs/dbraw/zinc/74/91/91/628749191.db2.gz JRXXSLJWCWSVDH-LLVKDONJSA-N 0 0 301.789 3.433 20 10 DGCDRN CC(C)[N@@H+]1CC[C@H](N(C)Cc2c([O-])ccc(Cl)c2F)C1 ZINC000825337240 628751518 /nfs/dbraw/zinc/75/15/18/628751518.db2.gz FESDDSAJZKQMAB-NSHDSACASA-N 0 0 300.805 3.099 20 10 DGCDRN CC(C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)=C1CCC1 ZINC000825421052 628759054 /nfs/dbraw/zinc/75/90/54/628759054.db2.gz DLTATTCKAXKUSD-HNNXBMFYSA-N 0 0 314.429 3.201 20 10 DGCDRN COc1ccc(N(C)Cc2c(C3CCC3)cnn2C)cc1OC ZINC000825509356 628770285 /nfs/dbraw/zinc/77/02/85/628770285.db2.gz JDPNKOSIBXEMJU-UHFFFAOYSA-N 0 0 315.417 3.341 20 10 DGCDRN COc1cccc(CNC(=O)c2ccc(C)c3c2CCC3)c1O ZINC000825702866 628787633 /nfs/dbraw/zinc/78/76/33/628787633.db2.gz GMFTVNUIDAOKAD-UHFFFAOYSA-N 0 0 311.381 3.128 20 10 DGCDRN O=C([C@@H]1CC1(F)F)N(Cc1ccco1)Cc1ccccc1O ZINC000825904626 628808989 /nfs/dbraw/zinc/80/89/89/628808989.db2.gz DBWAPRXEWXEFMX-ZDUSSCGKSA-N 0 0 307.296 3.169 20 10 DGCDRN CC[C@H]1CN(C(=O)/C=C(/C)c2cnccn2)c2ccccc2O1 ZINC000826559234 628859259 /nfs/dbraw/zinc/85/92/59/628859259.db2.gz IJFUMAPCYRDXRK-ZVHGMHCTSA-N 0 0 309.369 3.084 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C=C/c1cccnc1C)C[C@H](C)O2 ZINC000826562392 628859817 /nfs/dbraw/zinc/85/98/17/628859817.db2.gz LONOACGZPHRAPE-PPGNKHEKSA-N 0 0 324.380 3.226 20 10 DGCDRN COCCCn1cc(C)c(NCc2cccc(Cl)c2O)n1 ZINC000826687684 628873184 /nfs/dbraw/zinc/87/31/84/628873184.db2.gz YAHCYGBESLRQCD-UHFFFAOYSA-N 0 0 309.797 3.199 20 10 DGCDRN O=C(NC1(c2ccc(F)cc2)CCOCC1)C1=CC(=O)CS1 ZINC000826749559 628882385 /nfs/dbraw/zinc/88/23/85/628882385.db2.gz WLGOJRPHDIZWPQ-UHFFFAOYSA-N 0 0 321.373 3.029 20 10 DGCDRN CC(C)(C)N1CC[C@H]1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000826790245 628886851 /nfs/dbraw/zinc/88/68/51/628886851.db2.gz AFJARYIBWKNTNM-NSHDSACASA-N 0 0 300.805 3.147 20 10 DGCDRN C/C(=C/C(=O)N1C[C@@H](C)Oc2cc(C)ccc21)c1cnccn1 ZINC000826836861 628893267 /nfs/dbraw/zinc/89/32/67/628893267.db2.gz LLUFZLUWRUFOLK-RNQWEJQRSA-N 0 0 309.369 3.002 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C2CC3(CC3)C2)cc1F ZINC000826942112 628905732 /nfs/dbraw/zinc/90/57/32/628905732.db2.gz MKSOEHKZSZPWRM-UHFFFAOYSA-N 0 0 304.409 3.478 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CC[C@@H](OC)C2)cc1F ZINC000826941438 628905977 /nfs/dbraw/zinc/90/59/77/628905977.db2.gz JHUDNLPNGBSWMC-LSDHHAIUSA-N 0 0 322.424 3.103 20 10 DGCDRN COc1cc(CN(C)Cc2nnc(C)o2)c(O)c(C(C)(C)C)c1 ZINC000827039193 628915215 /nfs/dbraw/zinc/91/52/15/628915215.db2.gz JWWURRUIPUDTEL-UHFFFAOYSA-N 0 0 319.405 3.022 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1C[C@H]2CCCN2c2ccccc21 ZINC000827158051 628929960 /nfs/dbraw/zinc/92/99/60/628929960.db2.gz MSUOVNXNCPGZNL-LLVKDONJSA-N 0 0 300.383 3.083 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000827172338 628931523 /nfs/dbraw/zinc/93/15/23/628931523.db2.gz RIAMONHTGZNRPA-GDBMZVCRSA-N 0 0 307.752 3.453 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000827179450 628932876 /nfs/dbraw/zinc/93/28/76/628932876.db2.gz YBDBPZDNHSJUPS-LSDHHAIUSA-N 0 0 307.752 3.453 20 10 DGCDRN COc1ccc(N(C)Cc2nnc(C(C)C)s2)cc1OC ZINC000827492044 628963376 /nfs/dbraw/zinc/96/33/76/628963376.db2.gz SXUDEBNHFLVPQJ-UHFFFAOYSA-N 0 0 307.419 3.315 20 10 DGCDRN COc1ccc(N(C)C[C@H](O)[C@H](C)c2ccccc2)cc1OC ZINC000827491295 628963430 /nfs/dbraw/zinc/96/34/30/628963430.db2.gz JUWBVJIBAFNVKL-PBHICJAKSA-N 0 0 315.413 3.305 20 10 DGCDRN CN(C)c1ccc(/C=C/CN2CCOc3ccc(O)cc3C2)cc1 ZINC000827655657 628980211 /nfs/dbraw/zinc/98/02/11/628980211.db2.gz ADHSAJWAVSCYHB-ONEGZZNKSA-N 0 0 324.424 3.366 20 10 DGCDRN CCN(CC)c1ccc(CN2CCc3nccnc3C2)cc1F ZINC000827692255 628983576 /nfs/dbraw/zinc/98/35/76/628983576.db2.gz GVOZWMNGZUFSNE-UHFFFAOYSA-N 0 0 314.408 3.020 20 10 DGCDRN C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000827733923 628986854 /nfs/dbraw/zinc/98/68/54/628986854.db2.gz RAWDONDLZSAAJH-ZBEGNZNMSA-N 0 0 323.795 3.439 20 10 DGCDRN C[C@@H](NC(=O)[C@@H](C)N1CCc2ccccc21)c1ccccc1O ZINC000827930603 629004764 /nfs/dbraw/zinc/00/47/64/629004764.db2.gz MJYMQNFATWYQQZ-ZIAGYGMSSA-N 0 0 310.397 3.021 20 10 DGCDRN C[C@@H](NC(=O)[C@H](C)Sc1ccccn1)c1ccccc1O ZINC000827936899 629005169 /nfs/dbraw/zinc/00/51/69/629005169.db2.gz FZCLPWMQTBNXDI-NEPJUHHUSA-N 0 0 302.399 3.145 20 10 DGCDRN Cc1cc2c(cc1C)O[C@@H](C(=O)N[C@H](C)c1ccccc1O)C2 ZINC000827937579 629005394 /nfs/dbraw/zinc/00/53/94/629005394.db2.gz ZKGMZCQWAOOJMW-FZKQIMNGSA-N 0 0 311.381 3.190 20 10 DGCDRN Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@H](C)c1ccccc1O ZINC000827940854 629005842 /nfs/dbraw/zinc/00/58/42/629005842.db2.gz JKYWWTYSLBYYRR-GHMZBOCLSA-N 0 0 301.390 3.103 20 10 DGCDRN C[C@@H](NC(=O)[C@@H]1CCC(=O)[C@H](C)C1(C)C)c1ccccc1O ZINC000827940483 629006135 /nfs/dbraw/zinc/00/61/35/629006135.db2.gz DPGVMFGVVPHELE-SCRDCRAPSA-N 0 0 303.402 3.211 20 10 DGCDRN C[C@H](NC(=O)[C@]1(C)CC(c2ccccc2)=NO1)c1ccccc1O ZINC000827960857 629008159 /nfs/dbraw/zinc/00/81/59/629008159.db2.gz XXYBEAJBPVEKAJ-DJJJIMSYSA-N 0 0 324.380 3.153 20 10 DGCDRN Cc1ccc(CC(=O)N[C@@H](C)c2ccccc2O)c(Cl)n1 ZINC000827963798 629008972 /nfs/dbraw/zinc/00/89/72/629008972.db2.gz ARBOBJHOSALZFO-NSHDSACASA-N 0 0 304.777 3.169 20 10 DGCDRN C[C@H](NC(=O)c1cnc([C@H]2CCCO2)s1)c1ccccc1O ZINC000827972930 629009740 /nfs/dbraw/zinc/00/97/40/629009740.db2.gz DPWDCGBXTFIBBP-GXFFZTMASA-N 0 0 318.398 3.191 20 10 DGCDRN C[C@H](NC(=O)[C@@](C)(O)[C@@H](C)c1ccccc1)c1ccccc1O ZINC000827973421 629010588 /nfs/dbraw/zinc/01/05/88/629010588.db2.gz OYRSUZGSENLSFC-NJSLBKSFSA-N 0 0 313.397 3.124 20 10 DGCDRN COc1ccc(N(Cc2ccccc2)C[C@@H]2COCCO2)cc1 ZINC000828113638 629024375 /nfs/dbraw/zinc/02/43/75/629024375.db2.gz LSYHOSCWYHKILD-LJQANCHMSA-N 0 0 313.397 3.117 20 10 DGCDRN Cc1cc(CC(=O)N(C)Cc2ccon2)c(C)n1-c1ccccc1 ZINC000828454643 629056184 /nfs/dbraw/zinc/05/61/84/629056184.db2.gz XJXXWUIFYNANFM-UHFFFAOYSA-N 0 0 323.396 3.283 20 10 DGCDRN COc1ccc(N(C)C[C@@H](O)[C@@H](C)c2ccccc2)c(OC)c1 ZINC000828474176 629057972 /nfs/dbraw/zinc/05/79/72/629057972.db2.gz CQYXTHLVJSYKCE-KBXCAEBGSA-N 0 0 315.413 3.305 20 10 DGCDRN C[C@@H](NC(=O)Cc1cccc(C(F)(F)F)n1)c1ccccc1O ZINC000828539348 629064383 /nfs/dbraw/zinc/06/43/83/629064383.db2.gz NBHOBKCUJHOUHP-SNVBAGLBSA-N 0 0 324.302 3.226 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCS[C@H]1C ZINC000828541433 629064736 /nfs/dbraw/zinc/06/47/36/629064736.db2.gz IBOJLCDINJTQOZ-GXTWGEPZSA-N 0 0 308.447 3.208 20 10 DGCDRN COC(=O)COc1ccc(N(C)C[C@@H]2CCC(F)(F)C2)cc1 ZINC000828791511 629093053 /nfs/dbraw/zinc/09/30/53/629093053.db2.gz VKPHPTJJAFVAEM-GFCCVEGCSA-N 0 0 313.344 3.110 20 10 DGCDRN CN(CC[S@](C)=O)c1ccc(OCc2ccccc2)cc1 ZINC000829092752 629128445 /nfs/dbraw/zinc/12/84/45/629128445.db2.gz NFTOFECWPCEKRG-NRFANRHFSA-N 0 0 303.427 3.080 20 10 DGCDRN CN1CCCN(C(=O)C2=CC(=O)CS2)c2ccc(F)cc21 ZINC000829451586 629158370 /nfs/dbraw/zinc/15/83/70/629158370.db2.gz SGYKYMISUBFQJX-UHFFFAOYSA-N 0 0 306.362 3.080 20 10 DGCDRN CCCCc1ccc(N(C)C(=O)c2ccnc3c2CC(=O)N3)cc1 ZINC000829589525 629172068 /nfs/dbraw/zinc/17/20/68/629172068.db2.gz JJOYZBLTSMHZLR-UHFFFAOYSA-N 0 0 323.396 3.195 20 10 DGCDRN COC(=O)c1cnc(SCCN2CCc3ccccc32)s1 ZINC000829677954 629181581 /nfs/dbraw/zinc/18/15/81/629181581.db2.gz SOOALKQDTYWAOU-UHFFFAOYSA-N 0 0 320.439 3.085 20 10 DGCDRN COC(=O)c1cnc(SCCOc2ccc(C)cc2)s1 ZINC000829692017 629182940 /nfs/dbraw/zinc/18/29/40/629182940.db2.gz GWHGNYQLTJXVPE-UHFFFAOYSA-N 0 0 309.412 3.409 20 10 DGCDRN O=C(COC(=O)[C@H]1CCCC[C@H]1C1CC1)c1ccc(O)c(O)c1 ZINC000829746226 629187100 /nfs/dbraw/zinc/18/71/00/629187100.db2.gz PLCOODYOLKPGMQ-KBPBESRZSA-N 0 0 318.369 3.040 20 10 DGCDRN Cc1cnccc1/C=C\C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000829817739 629197748 /nfs/dbraw/zinc/19/77/48/629197748.db2.gz QBJDBVBZELNLMN-YYRKOSNBSA-N 0 0 309.413 3.347 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Cc2cc(C)cc(C)c2)c1 ZINC000830541183 629282365 /nfs/dbraw/zinc/28/23/65/629282365.db2.gz UJQWCULJFLDHPO-CQSZACIVSA-N 0 0 313.397 3.438 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000830559090 629284199 /nfs/dbraw/zinc/28/41/99/629284199.db2.gz IWTKNYHHDUOPRC-SHTZXODSSA-N 0 0 303.402 3.321 20 10 DGCDRN CN(C)c1ccc(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1F ZINC000830636101 629290735 /nfs/dbraw/zinc/29/07/35/629290735.db2.gz VFPYCYJIEKGUMF-UNEWFSDZSA-N 0 0 320.408 3.109 20 10 DGCDRN CN(C)c1ccc(C[NH2+]C2(CC(=O)[O-])CCCCC2)cc1F ZINC000830639603 629290911 /nfs/dbraw/zinc/29/09/11/629290911.db2.gz JWHUXZACARIKHX-UHFFFAOYSA-N 0 0 308.397 3.159 20 10 DGCDRN Cc1ccccc1[C@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2O)C1 ZINC000831165547 629345376 /nfs/dbraw/zinc/34/53/76/629345376.db2.gz LZVWNPZLQUEJLT-HAQNSBGRSA-N 0 0 315.344 3.221 20 10 DGCDRN COc1ccc(N(Cc2cn(CC3CC3)nn2)CC2CC2)cc1 ZINC000831593972 629394925 /nfs/dbraw/zinc/39/49/25/629394925.db2.gz QYXJCIANQQJDHU-UHFFFAOYSA-N 0 0 312.417 3.113 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000831925181 629428553 /nfs/dbraw/zinc/42/85/53/629428553.db2.gz SKSBKYLXADFCDO-CTNYNGJSSA-N 0 0 317.429 3.361 20 10 DGCDRN Cc1cc(C)cc(CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000831924708 629428621 /nfs/dbraw/zinc/42/86/21/629428621.db2.gz LTKDWSWFOLRUIB-AWEZNQCLSA-N 0 0 313.397 3.005 20 10 DGCDRN Cc1[nH]c(C(=O)Nc2ccc(N)cc2)c(C)c1C(=O)OC(C)C ZINC000832249857 629455839 /nfs/dbraw/zinc/45/58/39/629455839.db2.gz DTDBXSJCEZIHMA-UHFFFAOYSA-N 0 0 315.373 3.031 20 10 DGCDRN Cc1cc(CC(=O)N(C)c2ccn(C)n2)c(C)n1-c1ccccc1 ZINC000832370308 629472046 /nfs/dbraw/zinc/47/20/46/629472046.db2.gz WKNANVZJSQHULN-UHFFFAOYSA-N 0 0 322.412 3.033 20 10 DGCDRN C[C@H](NC(=O)Cc1ccncc1Cl)c1ccc(N(C)C)cc1 ZINC000832430491 629479239 /nfs/dbraw/zinc/47/92/39/629479239.db2.gz FHQUMZNTLPHUGV-LBPRGKRZSA-N 0 0 317.820 3.221 20 10 DGCDRN COCc1csc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000832435603 629480037 /nfs/dbraw/zinc/48/00/37/629480037.db2.gz CKEZXPVGAAONDU-GFCCVEGCSA-N 0 0 318.442 3.452 20 10 DGCDRN C[C@H](NC(=O)c1ccc2c(c1)CCOC2)c1ccc(N(C)C)cc1 ZINC000832436876 629480243 /nfs/dbraw/zinc/48/02/43/629480243.db2.gz SARYIHGJESMUJW-AWEZNQCLSA-N 0 0 324.424 3.316 20 10 DGCDRN O=C(c1c(F)ccc(O)c1O)N1CCC[C@H](c2ccccc2)C1 ZINC000832826556 629519150 /nfs/dbraw/zinc/51/91/50/629519150.db2.gz MGOPPJLMIFGAIU-ZDUSSCGKSA-N 0 0 315.344 3.257 20 10 DGCDRN Cc1cc(C[N@@H+]2CCC[C@@H]2CC(=O)[O-])c(O)c(C(C)(C)C)c1 ZINC000832882290 629527111 /nfs/dbraw/zinc/52/71/11/629527111.db2.gz CDSWAZRMBUUTFF-CQSZACIVSA-N 0 0 305.418 3.437 20 10 DGCDRN COc1ccc(O)c([C@H](C)[NH2+][C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000833733371 629644378 /nfs/dbraw/zinc/64/43/78/629644378.db2.gz FQISFHJADXDBRT-QFYYESIMSA-N 0 0 319.332 3.016 20 10 DGCDRN CC[C@@H](NCc1nnc(C(C)C)[nH]1)c1ccc(N(C)C)cc1 ZINC000834869745 629794289 /nfs/dbraw/zinc/79/42/89/629794289.db2.gz FWPZKCMYPYGDCS-OAHLLOKOSA-N 0 0 301.438 3.235 20 10 DGCDRN C[C@@H]1C[C@@H](NCc2nn(C)cc2Cl)c2c1c(F)ccc2O ZINC000834882142 629796838 /nfs/dbraw/zinc/79/68/38/629796838.db2.gz GAQLLRLDYPISOK-LDYMZIIASA-N 0 0 309.772 3.256 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])[C@H](C)O ZINC000834888224 629798597 /nfs/dbraw/zinc/79/85/97/629798597.db2.gz NPWQBHLFDAOASN-UBJUHAIHSA-N 0 0 320.202 3.104 20 10 DGCDRN CN(C)c1ccc(/C=C\CNc2cnn(CC(F)F)c2)cc1 ZINC000835033817 629829985 /nfs/dbraw/zinc/82/99/85/629829985.db2.gz XMXXTOBWQHBWET-ARJAWSKDSA-N 0 0 306.360 3.340 20 10 DGCDRN CN(C)c1ccc(/C=C\CN(C)Cc2ncc(Cl)n2C)cc1 ZINC000835045376 629833903 /nfs/dbraw/zinc/83/39/03/629833903.db2.gz VJZUBIILEQPFOO-WAYWQWQTSA-N 0 0 318.852 3.285 20 10 DGCDRN C[C@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)OC1CCCC1 ZINC000835049635 629836468 /nfs/dbraw/zinc/83/64/68/629836468.db2.gz HFUOSEPUBSEHNX-XHPSBEMXSA-N 0 0 316.445 3.230 20 10 DGCDRN CN(C)c1ccc(/C=C/CN2CCNC(=O)c3ccccc32)cc1 ZINC000835052184 629837094 /nfs/dbraw/zinc/83/70/94/629837094.db2.gz CMVCNYQXENTQBC-AATRIKPKSA-N 0 0 321.424 3.016 20 10 DGCDRN CC1(C)C[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000835060592 629841018 /nfs/dbraw/zinc/84/10/18/629841018.db2.gz RVWXCURQYCGVFO-JTQLQIEISA-N 0 0 301.789 3.480 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@H]2CC[C@@H](C)O2)c1 ZINC000835086092 629847635 /nfs/dbraw/zinc/84/76/35/629847635.db2.gz FBIKOAMCXAAVSR-ZYHUDNBSSA-N 0 0 314.223 3.120 20 10 DGCDRN CCn1cc(N2C(=O)/C(=C/c3cccs3)SC2=S)cn1 ZINC000101960300 629882563 /nfs/dbraw/zinc/88/25/63/629882563.db2.gz JVZVGIPTOUCSAU-WDZFZDKYSA-N 0 0 321.452 3.370 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H]1C[C@H]1C1CC1 ZINC000836243935 630089253 /nfs/dbraw/zinc/08/92/53/630089253.db2.gz ITRKDWLGVSQOFR-WMZOPIPTSA-N 0 0 313.445 3.132 20 10 DGCDRN C[C@H](NC(=O)N1CCC[C@@](C)(F)C1)c1ccc(N(C)C)cc1 ZINC000836405363 630110132 /nfs/dbraw/zinc/11/01/32/630110132.db2.gz DLSOLFJEIDSZLZ-SUMWQHHRSA-N 0 0 307.413 3.347 20 10 DGCDRN COc1ccc(CNC(=O)NC[C@@H]2CCCC2(C)C)c(O)c1 ZINC000836492085 630121888 /nfs/dbraw/zinc/12/18/88/630121888.db2.gz CQJKMXHNTYMOHL-ZDUSSCGKSA-N 0 0 306.406 3.026 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cncnc1C1CC1 ZINC000836497826 630122333 /nfs/dbraw/zinc/12/23/33/630122333.db2.gz XJXYPVIHHZCGMS-UHFFFAOYSA-N 0 0 324.428 3.082 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NCC2=CCCCC2)cc1 ZINC000836518802 630126586 /nfs/dbraw/zinc/12/65/86/630126586.db2.gz CSRMTTAXFBMNHW-UHFFFAOYSA-N 0 0 301.434 3.394 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCC2=CCCCC2)c1 ZINC000836521574 630127329 /nfs/dbraw/zinc/12/73/29/630127329.db2.gz YDNWVNPMFGUNJE-GFCCVEGCSA-N 0 0 304.390 3.261 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C2CC2)C2CCC2)c1 ZINC000836687679 630151128 /nfs/dbraw/zinc/15/11/28/630151128.db2.gz WLGNASRKAMTLHZ-PIGZYNQJSA-N 0 0 318.417 3.340 20 10 DGCDRN CCC(C)(C)OCCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000836691378 630151450 /nfs/dbraw/zinc/15/14/50/630151450.db2.gz KVSJTPOQGJHYCX-UHFFFAOYSA-N 0 0 321.465 3.099 20 10 DGCDRN CCCn1ncc(NC(=O)NCc2ccccc2O)c1C1CC1 ZINC000836716804 630155452 /nfs/dbraw/zinc/15/54/52/630155452.db2.gz MXYSCKLDVQHLTA-UHFFFAOYSA-N 0 0 314.389 3.198 20 10 DGCDRN C[C@@H](NC(=O)COCC1CCCC1)c1ccc(N(C)C)cc1 ZINC000836783098 630162504 /nfs/dbraw/zinc/16/25/04/630162504.db2.gz QGEFQEJHFIRTBR-CQSZACIVSA-N 0 0 304.434 3.137 20 10 DGCDRN C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccnc1)c1ccc(N(C)C)cc1 ZINC000836782984 630162799 /nfs/dbraw/zinc/16/27/99/630162799.db2.gz OXUCGFAEJNWWLS-DOPJRALCSA-N 0 0 309.413 3.129 20 10 DGCDRN COc1ccc2c(c1)CCC[C@H]2CC(=O)NCc1ccc(N)cc1 ZINC000837302784 630237171 /nfs/dbraw/zinc/23/71/71/630237171.db2.gz GSOXXPKJEYOCNZ-INIZCTEOSA-N 0 0 324.424 3.404 20 10 DGCDRN CCC(C)(C)OCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000837341603 630244069 /nfs/dbraw/zinc/24/40/69/630244069.db2.gz KZMHWVIRDFMCHG-UHFFFAOYSA-N 0 0 304.434 3.108 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)[C@H](C)C3CCC3)CC2)cc1 ZINC000837358334 630247010 /nfs/dbraw/zinc/24/70/10/630247010.db2.gz PVIPWHJOYNDJOV-OAHLLOKOSA-N 0 0 316.445 3.170 20 10 DGCDRN C[C@H](CC(F)(F)F)C(=O)NCCCSc1nccs1 ZINC000837415113 630255500 /nfs/dbraw/zinc/25/55/00/630255500.db2.gz WDIXBPIMEMEHBP-MRVPVSSYSA-N 0 0 312.382 3.330 20 10 DGCDRN CC(C)c1cccc(CC(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000837483045 630265043 /nfs/dbraw/zinc/26/50/43/630265043.db2.gz ZAGLWLGZBNMOJY-UHFFFAOYSA-N 0 0 313.397 3.123 20 10 DGCDRN Cc1cc(C(=O)NC2(C(F)(F)F)CC2)c(C)n1-c1ccccn1 ZINC000837681830 630296484 /nfs/dbraw/zinc/29/64/84/630296484.db2.gz IRBBTSFLQZEIMT-UHFFFAOYSA-N 0 0 323.318 3.314 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cccc(O)c1 ZINC000840556089 630337230 /nfs/dbraw/zinc/33/72/30/630337230.db2.gz KXQAPTXYOMQMPY-CQSZACIVSA-N 0 0 312.413 3.128 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)/C=C/c1cccnc1 ZINC000840558563 630337669 /nfs/dbraw/zinc/33/76/69/630337669.db2.gz ZDMFWENYXJBESV-OJXHRBAXSA-N 0 0 323.440 3.217 20 10 DGCDRN C[C@@H](NCc1nccc(C(F)(F)F)n1)c1ccc(N(C)C)cc1 ZINC000840868197 630369508 /nfs/dbraw/zinc/36/95/08/630369508.db2.gz VXGGYBUTHJXWNP-LLVKDONJSA-N 0 0 324.350 3.412 20 10 DGCDRN CCN(CC)c1ccc(CNCc2ccc(C)nn2)cc1F ZINC000840896936 630374293 /nfs/dbraw/zinc/37/42/93/630374293.db2.gz MGDIPHZGFLVVMG-UHFFFAOYSA-N 0 0 302.397 3.060 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1cccc([C@H]2CNC(=O)C2)c1 ZINC000840928910 630379352 /nfs/dbraw/zinc/37/93/52/630379352.db2.gz AQXBFKQITHKYTP-QGZVFWFLSA-N 0 0 323.440 3.277 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1cccc([C@@H]2CNC(=O)C2)c1 ZINC000840928909 630379363 /nfs/dbraw/zinc/37/93/63/630379363.db2.gz AQXBFKQITHKYTP-KRWDZBQOSA-N 0 0 323.440 3.277 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ccccc1Cn1cncn1 ZINC000840926513 630379592 /nfs/dbraw/zinc/37/95/92/630379592.db2.gz VASRHJOBYLJUBW-UHFFFAOYSA-N 0 0 321.428 3.313 20 10 DGCDRN CCc1ncc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC000840945258 630381848 /nfs/dbraw/zinc/38/18/48/630381848.db2.gz GPMUEIWPZQTOTC-UHFFFAOYSA-N 0 0 312.200 3.341 20 10 DGCDRN Cc1cc(O)c(C[N@@H+]2CCCN(CC(F)F)CC2)c(Cl)c1 ZINC000840948703 630382458 /nfs/dbraw/zinc/38/24/58/630382458.db2.gz JNVDIZOFSBMGOS-UHFFFAOYSA-N 0 0 318.795 3.127 20 10 DGCDRN COc1cc(Cl)cc(CN2CCO[C@@H](C3CCC3)C2)c1O ZINC000840955290 630384033 /nfs/dbraw/zinc/38/40/33/630384033.db2.gz TWNBWJVTFZRIML-OAHLLOKOSA-N 0 0 311.809 3.055 20 10 DGCDRN CCn1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000840955970 630384471 /nfs/dbraw/zinc/38/44/71/630384471.db2.gz DSTGEZGBRFHAOC-UHFFFAOYSA-N 0 0 300.189 3.205 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CS[C@@H](C)C2)c1 ZINC000840958056 630385321 /nfs/dbraw/zinc/38/53/21/630385321.db2.gz IDCOUISFCWWZPA-GXSJLCMTSA-N 0 0 316.264 3.447 20 10 DGCDRN CN(C)c1ccc(CNc2cccc3c2CN(C)C3=O)cc1F ZINC000840958747 630386580 /nfs/dbraw/zinc/38/65/80/630386580.db2.gz UMEVLEFHCWBVLR-UHFFFAOYSA-N 0 0 313.376 3.089 20 10 DGCDRN CCN(CC)c1ccc(CNc2cccc3c2CCNC3=O)cc1 ZINC000840973964 630389373 /nfs/dbraw/zinc/38/93/73/630389373.db2.gz UCTGRLACTJELAJ-UHFFFAOYSA-N 0 0 323.440 3.431 20 10 DGCDRN C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000840978976 630390533 /nfs/dbraw/zinc/39/05/33/630390533.db2.gz QRIZFIGPTGFYMB-ZJUUUORDSA-N 0 0 304.217 3.292 20 10 DGCDRN CCCN(CCC)c1ccc(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000840995481 630392533 /nfs/dbraw/zinc/39/25/33/630392533.db2.gz PMMRSUCWJBGLKQ-MRXNPFEDSA-N 0 0 304.434 3.220 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000840997589 630393418 /nfs/dbraw/zinc/39/34/18/630393418.db2.gz XLTGDCVDVFOQKI-MRXNPFEDSA-N 0 0 304.434 3.220 20 10 DGCDRN [NH3+][C@@H]1CN(Cc2cccc(Cl)c2[O-])C[C@H]1c1cccc(F)c1 ZINC000841104706 630408512 /nfs/dbraw/zinc/40/85/12/630408512.db2.gz XWCHZYMHCSRYEW-GOEBONIOSA-N 0 0 320.795 3.111 20 10 DGCDRN Cc1c(NC(=O)NCCc2ccc(N)cc2)cccc1N(C)C ZINC000841172730 630413314 /nfs/dbraw/zinc/41/33/14/630413314.db2.gz CHIIZQHJMBKXHJ-UHFFFAOYSA-N 0 0 312.417 3.007 20 10 DGCDRN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)Nc2ccc(N)cc2)C1 ZINC000841295552 630424054 /nfs/dbraw/zinc/42/40/54/630424054.db2.gz BENYLJSHOOGAGC-VZEFYGNVSA-N 0 0 317.433 3.062 20 10 DGCDRN COCc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(N)cc2)o1 ZINC000841296613 630424073 /nfs/dbraw/zinc/42/40/73/630424073.db2.gz WFWKKOKZIOJHRE-HNNXBMFYSA-N 0 0 315.373 3.377 20 10 DGCDRN CC[C@H]1CN(c2ccccc2)CCN1C(=O)Nc1ccc(N)cc1 ZINC000841295550 630424173 /nfs/dbraw/zinc/42/41/73/630424173.db2.gz BDEQFHMAZUDPAM-KRWDZBQOSA-N 0 0 324.428 3.402 20 10 DGCDRN Nc1ccc(NC(=O)N[C@@H]2CCOC3(CCCCC3)C2)cc1 ZINC000841298635 630424436 /nfs/dbraw/zinc/42/44/36/630424436.db2.gz RISQOAFZGBSXAS-OAHLLOKOSA-N 0 0 303.406 3.272 20 10 DGCDRN Nc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@@H]2CCOC2)cc1 ZINC000841296701 630424562 /nfs/dbraw/zinc/42/45/62/630424562.db2.gz XQFPPRRWBXEOLG-PBHICJAKSA-N 0 0 311.385 3.168 20 10 DGCDRN Nc1ccc(NC(=O)N2CC[C@]3(C2)CCc2ccccc2O3)cc1 ZINC000841300593 630424992 /nfs/dbraw/zinc/42/49/92/630424992.db2.gz WTVCAOWKWDYIQZ-IBGZPJMESA-N 0 0 323.396 3.270 20 10 DGCDRN CC(C)[C@H](NC(=O)Nc1ccc(N)cc1)c1nc(C2CC2)no1 ZINC000841301171 630425040 /nfs/dbraw/zinc/42/50/40/630425040.db2.gz DPRBJLVEMAFZCQ-ZDUSSCGKSA-N 0 0 315.377 3.048 20 10 DGCDRN CC(C)COC[C@@H](NC(=O)Nc1ccc(N)cc1)c1ccco1 ZINC000841301568 630425555 /nfs/dbraw/zinc/42/55/55/630425555.db2.gz UXCROESWTACBDN-OAHLLOKOSA-N 0 0 317.389 3.397 20 10 DGCDRN Cn1cc(/C=C\C(=O)N2CCCc3cc(F)cc(Cl)c32)cn1 ZINC000841306338 630425989 /nfs/dbraw/zinc/42/59/89/630425989.db2.gz WCVREXFUBKDJHT-PLNGDYQASA-N 0 0 319.767 3.205 20 10 DGCDRN CO[C@H](CC(C)C)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000841385152 630435095 /nfs/dbraw/zinc/43/50/95/630435095.db2.gz RSYZHSKJLGQCCE-GOSISDBHSA-N 0 0 318.461 3.354 20 10 DGCDRN C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841580986 630446100 /nfs/dbraw/zinc/44/61/00/630446100.db2.gz KAWSEXQXBLYZPB-OWCLPIDISA-N 0 0 315.461 3.473 20 10 DGCDRN C[C@H]([NH2+]CCC(=O)N1CCCCCC1)c1ccc(Cl)cc1[O-] ZINC000841746572 630461755 /nfs/dbraw/zinc/46/17/55/630461755.db2.gz IJXNMCNSSPKSFZ-ZDUSSCGKSA-N 0 0 324.852 3.489 20 10 DGCDRN Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C2 ZINC000841745733 630461873 /nfs/dbraw/zinc/46/18/73/630461873.db2.gz SMXUNQUEEVZZFQ-IINYFYTJSA-N 0 0 317.820 3.352 20 10 DGCDRN C[C@@H]([NH2+]CCCNC(=O)C1CCC1)c1ccc(Cl)cc1[O-] ZINC000841752881 630462175 /nfs/dbraw/zinc/46/21/75/630462175.db2.gz VJCRLVYMODQYKK-LLVKDONJSA-N 0 0 310.825 3.003 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@@H](CC2CCC2)C(=O)[O-])cc1F ZINC000841815356 630468153 /nfs/dbraw/zinc/46/81/53/630468153.db2.gz DXOPQPMJSMUVEY-INIZCTEOSA-N 0 0 322.424 3.405 20 10 DGCDRN Cc1cccc([C@H](C)NC(=O)NCCc2ccc(N)cc2)c1C ZINC000841826226 630469507 /nfs/dbraw/zinc/46/95/07/630469507.db2.gz FIEDSYILGYFONN-HNNXBMFYSA-N 0 0 311.429 3.489 20 10 DGCDRN Nc1ccc(CCNC(=O)N[C@@H](Cc2ccccc2)C2CC2)cc1 ZINC000841829570 630469837 /nfs/dbraw/zinc/46/98/37/630469837.db2.gz RABDMQLUENECAE-IBGZPJMESA-N 0 0 323.440 3.132 20 10 DGCDRN C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841850224 630471134 /nfs/dbraw/zinc/47/11/34/630471134.db2.gz FVHVEJKGNWXVOO-BBRMVZONSA-N 0 0 303.450 3.325 20 10 DGCDRN C[C@H](CC1CCCCC1)NC(=O)NCCc1ccc(N)cc1 ZINC000841887642 630473164 /nfs/dbraw/zinc/47/31/64/630473164.db2.gz UOVQKAOWRGZDMA-CQSZACIVSA-N 0 0 303.450 3.469 20 10 DGCDRN C[C@H](NC(=O)NCCc1ccc(N)cc1)[C@H]1CCC[C@@H](C)C1 ZINC000841915622 630475236 /nfs/dbraw/zinc/47/52/36/630475236.db2.gz SDFCDFGBZSCGFY-YCPHGPKFSA-N 0 0 303.450 3.325 20 10 DGCDRN Cc1ccc([C@H]2CCN(C(=O)NCCc3ccc(N)cc3)C2)cc1 ZINC000841956682 630476971 /nfs/dbraw/zinc/47/69/71/630476971.db2.gz DUDBQKKOMNWRQL-SFHVURJKSA-N 0 0 323.440 3.319 20 10 DGCDRN C[C@H]1CN(C(=O)NCCc2ccc(N)cc2)[C@H]1c1ccccc1 ZINC000841955224 630476983 /nfs/dbraw/zinc/47/69/83/630476983.db2.gz WGSGGBQDHLYVPP-KBXCAEBGSA-N 0 0 309.413 3.214 20 10 DGCDRN CC(C)CC1CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841960331 630477117 /nfs/dbraw/zinc/47/71/17/630477117.db2.gz NHLWBOQHDGFUCD-UHFFFAOYSA-N 0 0 303.450 3.279 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CCC(c3ccccc3)CC2)cc1 ZINC000841961752 630477124 /nfs/dbraw/zinc/47/71/24/630477124.db2.gz HNSPVOLFYQRVQG-UHFFFAOYSA-N 0 0 323.440 3.401 20 10 DGCDRN CC(C)CC[C@@H]1CCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841961038 630477187 /nfs/dbraw/zinc/47/71/87/630477187.db2.gz ZNWRVQTVVASPAC-KRWDZBQOSA-N 0 0 303.450 3.422 20 10 DGCDRN CC(C)C[C@@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841960345 630477200 /nfs/dbraw/zinc/47/72/00/630477200.db2.gz NTOKEIKHQFIZFB-INIZCTEOSA-N 0 0 303.450 3.279 20 10 DGCDRN CCN(Cc1cccs1)C(=O)NCCc1ccc(N)cc1 ZINC000841962146 630477227 /nfs/dbraw/zinc/47/72/27/630477227.db2.gz MVHACPDOQRYSLD-UHFFFAOYSA-N 0 0 303.431 3.105 20 10 DGCDRN CC(C)C1(C)CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841959092 630477297 /nfs/dbraw/zinc/47/72/97/630477297.db2.gz KPSODOXXOTZLBB-UHFFFAOYSA-N 0 0 303.450 3.279 20 10 DGCDRN C[C@H](C1CCCCC1)N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841957463 630477323 /nfs/dbraw/zinc/47/73/23/630477323.db2.gz BNWSPMAGAKXKDH-CQSZACIVSA-N 0 0 303.450 3.422 20 10 DGCDRN Cc1cc2c(cc1C)N(C(=O)NCCc1ccc(N)cc1)CC2 ZINC000841961589 630477362 /nfs/dbraw/zinc/47/73/62/630477362.db2.gz FWIDDKUIRIZIAV-UHFFFAOYSA-N 0 0 309.413 3.200 20 10 DGCDRN CC[C@@H](COC(=O)c1cc(C)n(-c2ccccn2)c1C)OC ZINC000842064238 630485953 /nfs/dbraw/zinc/48/59/53/630485953.db2.gz PSZDZKQVBWYREZ-AWEZNQCLSA-N 0 0 302.374 3.071 20 10 DGCDRN CN(C)c1ccc(/C=C/CNCC(F)(F)Br)cc1 ZINC000842209908 630505764 /nfs/dbraw/zinc/50/57/64/630505764.db2.gz KZUMLGRTTURTDI-ONEGZZNKSA-N 0 0 319.193 3.343 20 10 DGCDRN COc1ccc(N(CC(=O)N[C@@H](C)C(C)C)C(C)C)cc1F ZINC000104682758 630507475 /nfs/dbraw/zinc/50/74/75/630507475.db2.gz PYCNMEGVQFMHCZ-ZDUSSCGKSA-N 0 0 310.413 3.210 20 10 DGCDRN CCc1ccc(F)cc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000867302493 630562546 /nfs/dbraw/zinc/56/25/46/630562546.db2.gz PVBPIADUAJSSLJ-NSHDSACASA-N 0 0 317.360 3.160 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)C=C3CCC3)C2)cc1 ZINC000842878112 630588460 /nfs/dbraw/zinc/58/84/60/630588460.db2.gz HMEXWTVAMYYUCN-HNNXBMFYSA-N 0 0 301.386 3.175 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)[C@H](C)C3CC3)C2)cc1 ZINC000842880514 630588937 /nfs/dbraw/zinc/58/89/37/630588937.db2.gz YTLDGDMXQJGFAS-KGLIPLIRSA-N 0 0 303.402 3.111 20 10 DGCDRN CC[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1cccc(Cl)c1[O-] ZINC000842886587 630589640 /nfs/dbraw/zinc/58/96/40/630589640.db2.gz SQBMXTRIQKZHOL-KGLIPLIRSA-N 0 0 324.852 3.486 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)CC(F)F)c1 ZINC000842891028 630590875 /nfs/dbraw/zinc/59/08/75/630590875.db2.gz WIRZYYVPTUCHKP-UWVGGRQHSA-N 0 0 301.333 3.121 20 10 DGCDRN C[C@H]([NH2+][C@H](CCO)c1ccccc1F)c1ccc(F)cc1[O-] ZINC000842924430 630594058 /nfs/dbraw/zinc/59/40/58/630594058.db2.gz QCCJKNVXJQUANG-MEDUHNTESA-N 0 0 307.340 3.445 20 10 DGCDRN COc1cccc(CNC(=O)Nc2ccc(F)c(F)c2)c1O ZINC000104973607 630600489 /nfs/dbraw/zinc/60/04/89/630600489.db2.gz QDWCUQKUBNZREG-UHFFFAOYSA-N 0 0 308.284 3.001 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843044487 630607549 /nfs/dbraw/zinc/60/75/49/630607549.db2.gz DGPASMZFXSLUAS-NHYWBVRUSA-N 0 0 312.816 3.149 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000843055684 630609424 /nfs/dbraw/zinc/60/94/24/630609424.db2.gz NERPHKVBJCXVPW-LBPRGKRZSA-N 0 0 301.217 3.025 20 10 DGCDRN [NH3+]CCN(Cc1ccccc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000843059002 630610136 /nfs/dbraw/zinc/61/01/36/630610136.db2.gz BWRRACPVAKUFDH-UHFFFAOYSA-N 0 0 308.784 3.146 20 10 DGCDRN [NH3+]C[C@@H]1c2ccccc2CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000843129619 630617321 /nfs/dbraw/zinc/61/73/21/630617321.db2.gz QMDLBTOFOTZJIO-MRXNPFEDSA-N 0 0 320.795 3.243 20 10 DGCDRN Cc1nc(CCCc2nc(Cc3ccc(N)cc3)no2)cs1 ZINC000843158991 630622959 /nfs/dbraw/zinc/62/29/59/630622959.db2.gz JYCSDNSDFYOCPO-UHFFFAOYSA-N 0 0 314.414 3.183 20 10 DGCDRN Cc1cc(Cl)cc(CN2CCc3cc(Cl)nnc3C2)c1O ZINC000843419288 630655012 /nfs/dbraw/zinc/65/50/12/630655012.db2.gz YAFOXHUXUAKQAB-UHFFFAOYSA-N 0 0 324.211 3.356 20 10 DGCDRN CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc(F)c2[O-])C1 ZINC000843436374 630658724 /nfs/dbraw/zinc/65/87/24/630658724.db2.gz IIGLRXJCSUAGTL-YPMHNXCESA-N 0 0 309.381 3.131 20 10 DGCDRN CC[N@H+](CCSC)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000843437680 630659524 /nfs/dbraw/zinc/65/95/24/630659524.db2.gz VDTLERHIZNNYJV-UHFFFAOYSA-N 0 0 304.799 3.139 20 10 DGCDRN CN(C(=O)c1csc(Cc2ccc(N)cc2)n1)C(C)(C)C ZINC000843513555 630664281 /nfs/dbraw/zinc/66/42/81/630664281.db2.gz HPZRBWQGOHZJNV-UHFFFAOYSA-N 0 0 303.431 3.187 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@]2(C)CCc3ccccc32)cc1 ZINC000843519993 630665191 /nfs/dbraw/zinc/66/51/91/630665191.db2.gz PIWJOGVFBAHZSB-FQEVSTJZSA-N 0 0 308.425 3.273 20 10 DGCDRN COC[C@H]1CCN1C(=O)c1sccc1-n1c(C)ccc1C ZINC000843894197 630702825 /nfs/dbraw/zinc/70/28/25/630702825.db2.gz UGYHPXSRTQVWRR-CYBMUJFWSA-N 0 0 304.415 3.017 20 10 DGCDRN Cc1ccc(C(=O)N2CCc3sc(Cl)cc3C2)c(O)c1O ZINC000843940499 630704015 /nfs/dbraw/zinc/70/40/15/630704015.db2.gz SRXFZMJOPHJGFI-UHFFFAOYSA-N 0 0 323.801 3.320 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCC[C@@H]1C1CCC1 ZINC000844124222 630710108 /nfs/dbraw/zinc/71/01/08/630710108.db2.gz RSKAKEVSMBACTE-TUPIDYKKSA-N 0 0 301.386 3.292 20 10 DGCDRN C[C@H](C(=O)[O-])C1([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000844292058 630716208 /nfs/dbraw/zinc/71/62/08/630716208.db2.gz CRCXSDMFAZZZBM-CQSZACIVSA-N 0 0 302.418 3.020 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCc3ccccc3C2)cc1 ZINC000844307723 630717795 /nfs/dbraw/zinc/71/77/95/630717795.db2.gz SPJGVAPQBJHRLD-GOSISDBHSA-N 0 0 308.425 3.174 20 10 DGCDRN COc1ccc(N(C)CC(=O)N(C(C)C)C2CCCC2)cc1 ZINC000844353418 630720790 /nfs/dbraw/zinc/72/07/90/630720790.db2.gz WLSVIPMETPCEFO-UHFFFAOYSA-N 0 0 304.434 3.311 20 10 DGCDRN CC(C)(C)n1nccc1NC(=O)NCc1cc(Cl)ccc1O ZINC000844636985 630745848 /nfs/dbraw/zinc/74/58/48/630745848.db2.gz NZDOHTPKXJHWGF-UHFFFAOYSA-N 0 0 322.796 3.319 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)c2ccc(Cl)o2)cc1 ZINC000844851955 630943206 /nfs/dbraw/zinc/94/32/06/630943206.db2.gz BSBRQSOKZXCZLP-UHFFFAOYSA-N 0 0 322.792 3.150 20 10 DGCDRN CCCC1(C(=O)N(C)CCN(C)c2ccc(OC)cc2)CC1 ZINC000844854767 630945539 /nfs/dbraw/zinc/94/55/39/630945539.db2.gz LYVQTBQAVACFKQ-UHFFFAOYSA-N 0 0 304.434 3.170 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)c2cscc2C)cc1 ZINC000844855442 630945600 /nfs/dbraw/zinc/94/56/00/630945600.db2.gz WGFBQPJMPDYRDG-UHFFFAOYSA-N 0 0 318.442 3.274 20 10 DGCDRN COc1cccc(CNC(=O)[C@@H](C)Cc2ccc(F)cc2)c1O ZINC000105650995 630950509 /nfs/dbraw/zinc/95/05/09/630950509.db2.gz QNSUQRHDOPBLHI-LBPRGKRZSA-N 0 0 317.360 3.035 20 10 DGCDRN COc1cccc(CNC(=O)CCc2ccc(Cl)cc2)c1O ZINC000105652346 630950643 /nfs/dbraw/zinc/95/06/43/630950643.db2.gz DPICQVMIDCMLHT-UHFFFAOYSA-N 0 0 319.788 3.303 20 10 DGCDRN C[C@@H]1CCCc2ncc(-c3nc(Cc4ccc(N)cc4)no3)n21 ZINC000844906540 630972898 /nfs/dbraw/zinc/97/28/98/630972898.db2.gz QSHOHJIPXFHNLT-LLVKDONJSA-N 0 0 309.373 3.003 20 10 DGCDRN Cc1cc(C(=O)COC(=O)[C@H]2C[C@H]2C)c(C)n1-c1ccccc1 ZINC000005405677 631018977 /nfs/dbraw/zinc/01/89/77/631018977.db2.gz PFLWWVWOCULFLL-WBMJQRKESA-N 0 0 311.381 3.476 20 10 DGCDRN O=C(NCCCSc1nccs1)N1CCCC(F)(F)C1 ZINC000845047379 631055145 /nfs/dbraw/zinc/05/51/45/631055145.db2.gz SOHZPWVJVDRDNM-UHFFFAOYSA-N 0 0 321.418 3.066 20 10 DGCDRN C[C@H](NC(=O)N1CC[C@]2(CC2(F)F)C1)c1ccc(N(C)C)cc1 ZINC000845123700 631084687 /nfs/dbraw/zinc/08/46/87/631084687.db2.gz CZSJHIVRMWCBLJ-LRDDRELGSA-N 0 0 323.387 3.254 20 10 DGCDRN CS[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1ccccc1O ZINC000845336265 631166246 /nfs/dbraw/zinc/16/62/46/631166246.db2.gz MICCVNJZKDYHMP-UKRRQHHQSA-N 0 0 308.447 3.208 20 10 DGCDRN CCOc1nc(N[C@H](C)c2cc(OC)ccc2O)ncc1Cl ZINC000845485634 631178250 /nfs/dbraw/zinc/17/82/50/631178250.db2.gz OJMMGJPJVYTZGE-SECBINFHSA-N 0 0 323.780 3.416 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CCC23CCCC3)c([N+](=O)[O-])c1 ZINC000845588918 631182526 /nfs/dbraw/zinc/18/25/26/631182526.db2.gz YJLHBSPSIGJLHK-ALCCZGGFSA-N 0 0 316.357 3.304 20 10 DGCDRN Oc1ccc(Cl)cc1CNc1ncnc2c1ncn2C1CC1 ZINC000845709239 631190550 /nfs/dbraw/zinc/19/05/50/631190550.db2.gz PDLPGPYHKPTHDT-UHFFFAOYSA-N 0 0 315.764 3.132 20 10 DGCDRN Oc1ccc(Cl)cc1CNc1cc(N2CCCC2)ncn1 ZINC000845709912 631190829 /nfs/dbraw/zinc/19/08/29/631190829.db2.gz ZMCSEUDRDJBXCY-UHFFFAOYSA-N 0 0 304.781 3.048 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)NC1CC2(CCC2)C1 ZINC000845723597 631191322 /nfs/dbraw/zinc/19/13/22/631191322.db2.gz HGCZHVFUYWTIJR-UHFFFAOYSA-N 0 0 314.429 3.403 20 10 DGCDRN CCC[C@@H](C)S(=O)(=O)NCc1ccc(N(CC)CC)cc1 ZINC000845823710 631197720 /nfs/dbraw/zinc/19/77/20/631197720.db2.gz KNVGUGPRNXGXJB-CQSZACIVSA-N 0 0 312.479 3.141 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)c1 ZINC000845832303 631198243 /nfs/dbraw/zinc/19/82/43/631198243.db2.gz BXLCUKKSQKQZMW-RSUWNVLCSA-N 0 0 301.386 3.180 20 10 DGCDRN COc1ccc(N(C)Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000845997656 631205305 /nfs/dbraw/zinc/20/53/05/631205305.db2.gz BCSNWFLTTFMAFH-UHFFFAOYSA-N 0 0 317.385 3.357 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@]1(CO)CCc2ccccc21 ZINC000846010780 631205699 /nfs/dbraw/zinc/20/56/99/631205699.db2.gz IJXAKZVAAXJLAJ-SFHVURJKSA-N 0 0 317.816 3.012 20 10 DGCDRN C[C@H](O)[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccccc1F ZINC000846015599 631206010 /nfs/dbraw/zinc/20/60/10/631206010.db2.gz CROKFUOURWIXEI-KPZWWZAWSA-N 0 0 320.383 3.243 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@@H]2C[C@H]2CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000846025776 631206800 /nfs/dbraw/zinc/20/68/00/631206800.db2.gz LLFJIUMPFSRONW-NWDGAFQWSA-N 0 0 308.378 3.223 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000846043044 631207943 /nfs/dbraw/zinc/20/79/43/631207943.db2.gz UTHMBAYZXLQPOV-MRXNPFEDSA-N 0 0 313.800 3.480 20 10 DGCDRN COc1cccc(O)c1CN1CCCCN1C(=O)OC(C)(C)C ZINC000846069149 631209040 /nfs/dbraw/zinc/20/90/40/631209040.db2.gz DBXXBFXXGWDRHU-UHFFFAOYSA-N 0 0 322.405 3.149 20 10 DGCDRN COc1cccc([C@H](C)N[C@H](C)c2nnc(C(C)C)[nH]2)c1O ZINC000846155741 631212506 /nfs/dbraw/zinc/21/25/06/631212506.db2.gz CIDGVCYMGYGHQO-WDEREUQCSA-N 0 0 304.394 3.054 20 10 DGCDRN COc1cccc([C@@H](C)Nc2ccc(CNC(C)=O)cc2)c1O ZINC000846164052 631213024 /nfs/dbraw/zinc/21/30/24/631213024.db2.gz UOSMTQKUHCBPNI-GFCCVEGCSA-N 0 0 314.385 3.210 20 10 DGCDRN C[C@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000846190460 631214435 /nfs/dbraw/zinc/21/44/35/631214435.db2.gz XYNZBCYAPPDBTO-GTNSWQLSSA-N 0 0 320.389 3.156 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1scnc1C1CC1 ZINC000846474170 631249696 /nfs/dbraw/zinc/24/96/96/631249696.db2.gz RREHZPZGPSMMFG-UHFFFAOYSA-N 0 0 308.790 3.310 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1cnc(C2CC2)s1 ZINC000846472472 631249716 /nfs/dbraw/zinc/24/97/16/631249716.db2.gz KLMZABPSQWPMJJ-UHFFFAOYSA-N 0 0 308.790 3.310 20 10 DGCDRN Cc1c(C(=O)NCc2cc(Cl)ccc2O)cnn1CC(C)C ZINC000846473480 631249789 /nfs/dbraw/zinc/24/97/89/631249789.db2.gz LPXNXLZICWGQHZ-UHFFFAOYSA-N 0 0 321.808 3.137 20 10 DGCDRN CC[C@H](C)CC[C@@H](O)CC(=O)NCc1cc(Cl)ccc1O ZINC000846473516 631249915 /nfs/dbraw/zinc/24/99/15/631249915.db2.gz MRACJDBYJYPNHH-SMDDNHRTSA-N 0 0 313.825 3.239 20 10 DGCDRN CC(=O)c1c(C)[nH]c(C(=O)NCc2cc(Cl)ccc2O)c1C ZINC000846478704 631251319 /nfs/dbraw/zinc/25/13/19/631251319.db2.gz DPQJBPXWBDZRIS-UHFFFAOYSA-N 0 0 320.776 3.123 20 10 DGCDRN Cc1cc(C(=O)N(C)[C@@H](C)CCO)c(C)n1-c1cccc(C)c1 ZINC000846600037 631272486 /nfs/dbraw/zinc/27/24/86/631272486.db2.gz KSDBVUZPIKDUSD-AWEZNQCLSA-N 0 0 314.429 3.245 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000846601983 631273347 /nfs/dbraw/zinc/27/33/47/631273347.db2.gz QYXQEQMXDYWTLZ-TXEJJXNPSA-N 0 0 322.380 3.493 20 10 DGCDRN C[C@]1(c2cccc(F)c2)CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000846660368 631281044 /nfs/dbraw/zinc/28/10/44/631281044.db2.gz VLVUDKJOFRNSOR-INIZCTEOSA-N 0 0 305.374 3.397 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCS[C@H](c2ccccc2)C1 ZINC000846660176 631281298 /nfs/dbraw/zinc/28/12/98/631281298.db2.gz DMHGJBHBUUYJMZ-AWEZNQCLSA-N 0 0 305.424 3.384 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C[C@@H]2OCc3ccccc32)cc1 ZINC000846783674 631304022 /nfs/dbraw/zinc/30/40/22/631304022.db2.gz CCBGISOLDYARPM-SFHVURJKSA-N 0 0 310.397 3.030 20 10 DGCDRN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2C(=O)C2=CC(=O)CS2)C1 ZINC000846972133 631370605 /nfs/dbraw/zinc/37/06/05/631370605.db2.gz MATNVXCITVQLSD-RZFFKMDDSA-N 0 0 323.458 3.246 20 10 DGCDRN C/C(=C/c1cccnc1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000846977676 631371888 /nfs/dbraw/zinc/37/18/88/631371888.db2.gz KRAGWCPKXHOLAN-ZSMUJPCHSA-N 0 0 309.413 3.428 20 10 DGCDRN CCCCNC(=O)CN(C)c1ccc(-c2nccs2)cc1 ZINC000846995346 631376809 /nfs/dbraw/zinc/37/68/09/631376809.db2.gz ZWTITMDJFPCFJX-UHFFFAOYSA-N 0 0 303.431 3.163 20 10 DGCDRN CC[C@](C)(CO)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000847304562 631456839 /nfs/dbraw/zinc/45/68/39/631456839.db2.gz VKKPYNZRIWFFCY-LJQANCHMSA-N 0 0 318.461 3.044 20 10 DGCDRN CCCN(C(=O)NCc1ccc(N2CC=CC2)cc1)C(C)C ZINC000847324571 631460513 /nfs/dbraw/zinc/46/05/13/631460513.db2.gz SXRPEUZTTMTADZ-UHFFFAOYSA-N 0 0 301.434 3.393 20 10 DGCDRN CCO/C=C/C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000847474009 631479880 /nfs/dbraw/zinc/47/98/80/631479880.db2.gz DLPXEIZNOMYHES-JLHYYAGUSA-N 0 0 302.418 3.089 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCC[Si](C)(C)C ZINC000847696908 631517441 /nfs/dbraw/zinc/51/74/41/631517441.db2.gz XDSPKNXHYBWAMU-LBPRGKRZSA-N 0 0 309.482 3.263 20 10 DGCDRN Cc1ccc([C@H](NC(=O)Cc2ccc(N)cc2)C(F)(F)F)o1 ZINC000848437089 631661830 /nfs/dbraw/zinc/66/18/30/631661830.db2.gz DFIIOEXFLDIUGS-AWEZNQCLSA-N 0 0 312.291 3.133 20 10 DGCDRN CCN(CC)c1ccc(CNCc2cc3n(n2)CCCC3)cc1 ZINC000848529577 631680084 /nfs/dbraw/zinc/68/00/84/631680084.db2.gz XHRGUSVWOBDDJO-UHFFFAOYSA-N 0 0 312.461 3.355 20 10 DGCDRN COc1c(C)cccc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000848560031 631692796 /nfs/dbraw/zinc/69/27/96/631692796.db2.gz JFYXAJLBRYGPJC-LBPRGKRZSA-N 0 0 316.357 3.468 20 10 DGCDRN COCC1(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000848560632 631692878 /nfs/dbraw/zinc/69/28/78/631692878.db2.gz IEEQTVJDEIWOQQ-SNVBAGLBSA-N 0 0 303.324 3.488 20 10 DGCDRN COC[C@@H](CC(C)(C)C)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000848564232 631694965 /nfs/dbraw/zinc/69/49/65/631694965.db2.gz KDQHBDXJNSMONL-GXTWGEPZSA-N 0 0 323.433 3.281 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2C[C@H](OC(C)(C)C)C2)c1 ZINC000848566394 631695594 /nfs/dbraw/zinc/69/55/94/631695594.db2.gz WYHIIRRDDXZAQL-MRVWCRGKSA-N 0 0 321.417 3.176 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000848570262 631697724 /nfs/dbraw/zinc/69/77/24/631697724.db2.gz JSWJMTUUYVJOOT-JSGCOSHPSA-N 0 0 320.389 3.443 20 10 DGCDRN CN(C)c1ccc(CN[C@@H](C[C@H]2CCCO2)C(F)(F)F)cc1 ZINC000848572674 631699210 /nfs/dbraw/zinc/69/92/10/631699210.db2.gz VKZQPDVVNVBGDD-CABCVRRESA-N 0 0 316.367 3.342 20 10 DGCDRN CCc1cccc(CN(C)Cc2nc3ccccc3n2C)c1O ZINC000848884246 631770285 /nfs/dbraw/zinc/77/02/85/631770285.db2.gz JAXWSEJZBBDTSJ-UHFFFAOYSA-N 0 0 309.413 3.473 20 10 DGCDRN CCO[C@@H](C)c1noc(CN(C)Cc2cccc(CC)c2O)n1 ZINC000848888776 631773132 /nfs/dbraw/zinc/77/31/32/631773132.db2.gz BOHMUEAPGLKLMH-LBPRGKRZSA-N 0 0 319.405 3.067 20 10 DGCDRN CCO[C@H](C)c1noc(CN(C)Cc2cccc(CC)c2O)n1 ZINC000848888773 631773233 /nfs/dbraw/zinc/77/32/33/631773233.db2.gz BOHMUEAPGLKLMH-GFCCVEGCSA-N 0 0 319.405 3.067 20 10 DGCDRN CCc1cccc(CNc2cccc(C[S@@](C)=O)c2)c1O ZINC000848890825 631774239 /nfs/dbraw/zinc/77/42/39/631774239.db2.gz MBFOHSLGWGVXMY-OAQYLSRUSA-N 0 0 303.427 3.445 20 10 DGCDRN CCc1cccc(CNc2cccc(CS(C)(=O)=O)c2)c1O ZINC000848892451 631774998 /nfs/dbraw/zinc/77/49/98/631774998.db2.gz WZBVVWQXNXKJAG-UHFFFAOYSA-N 0 0 319.426 3.111 20 10 DGCDRN CCc1cccc(CNc2ccc(CCO)cc2OC)c1O ZINC000848907574 631781968 /nfs/dbraw/zinc/78/19/68/631781968.db2.gz PKHOILNCOKVECM-UHFFFAOYSA-N 0 0 301.386 3.110 20 10 DGCDRN COc1ccc2c(c1)CN(Cc1ccc(N3CCOCC3)cc1)C2 ZINC000848925792 631790628 /nfs/dbraw/zinc/79/06/28/631790628.db2.gz KUHBILQDWMPBPS-UHFFFAOYSA-N 0 0 324.424 3.048 20 10 DGCDRN Cc1cccc(CN[C@H](C[C@H]2CCCO2)C(F)(F)F)c1O ZINC000848927783 631790735 /nfs/dbraw/zinc/79/07/35/631790735.db2.gz NQBKXXUZDAJCFP-CHWSQXEVSA-N 0 0 303.324 3.290 20 10 DGCDRN CC(C)(C)OC(=O)CN(Cc1cc(F)ccc1O)C1CCC1 ZINC000848927607 631790754 /nfs/dbraw/zinc/79/07/54/631790754.db2.gz JAVYAZWGVDLCPS-UHFFFAOYSA-N 0 0 309.381 3.228 20 10 DGCDRN COCc1csc(/C=C2\SC(=S)N(C3CC3)C2=O)c1 ZINC000849173033 631853528 /nfs/dbraw/zinc/85/35/28/631853528.db2.gz AWFSMMHGJFMZFL-WZUFQYTHSA-N 0 0 311.453 3.258 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(COC)o1 ZINC000849208854 631856813 /nfs/dbraw/zinc/85/68/13/631856813.db2.gz DUUKFPCIHSOTKI-UHFFFAOYSA-N 0 0 316.401 3.154 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)Nc3ccccc3)C2)cc1 ZINC000849225654 631858730 /nfs/dbraw/zinc/85/87/30/631858730.db2.gz YJSQEFFXJFVCFZ-OAHLLOKOSA-N 0 0 311.385 3.096 20 10 DGCDRN COc1ccnc(CNC(=S)Nc2cccc(C)c2C)c1F ZINC000849296321 631883244 /nfs/dbraw/zinc/88/32/44/631883244.db2.gz DKIYLEGOCAFJIN-UHFFFAOYSA-N 0 0 319.405 3.333 20 10 DGCDRN CC[C@H](COC(=O)/C=C\c1ccc(O)c(O)c1)CC(F)F ZINC000849744679 631956639 /nfs/dbraw/zinc/95/66/39/631956639.db2.gz FSQAQRKOBZIMHL-OAQKJQOQSA-N 0 0 300.301 3.336 20 10 DGCDRN CN(Cc1ccco1)C(=O)CSc1ncc(Cl)s1 ZINC000849998316 632024293 /nfs/dbraw/zinc/02/42/93/632024293.db2.gz MSKWMVVTWPUIQC-UHFFFAOYSA-N 0 0 302.808 3.140 20 10 DGCDRN CN(C)c1ccc(CNC(=S)Nc2ccccc2F)cc1 ZINC000007371573 632119322 /nfs/dbraw/zinc/11/93/22/632119322.db2.gz GRDSWAORTMDUNO-UHFFFAOYSA-N 0 0 303.406 3.378 20 10 DGCDRN CCN(CC)c1ccc(CN[C@H]2C[C@H](C)n3ncnc32)cc1F ZINC000850351659 632122037 /nfs/dbraw/zinc/12/20/37/632122037.db2.gz GLIBISCRTYDPEO-WFASDCNBSA-N 0 0 317.412 3.059 20 10 DGCDRN CC(C)NC(=S)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000007404419 632147032 /nfs/dbraw/zinc/14/70/32/632147032.db2.gz LALOXRKLDQRVLQ-UHFFFAOYSA-N 0 0 305.491 3.392 20 10 DGCDRN CC[C@@H](COCC1CC1)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000850494622 632170911 /nfs/dbraw/zinc/17/09/11/632170911.db2.gz RDLCDGKDFTWRRA-WFASDCNBSA-N 0 0 321.417 3.035 20 10 DGCDRN CC[C@@H](O)C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000850527843 632181371 /nfs/dbraw/zinc/18/13/71/632181371.db2.gz CCIPYUOIGDMHHN-VXNVDRBHSA-N 0 0 322.630 3.230 20 10 DGCDRN C[C@@H]([NH2+][C@H]1COc2cc(F)ccc2C1)c1cc(F)cc(F)c1[O-] ZINC000850538093 632186202 /nfs/dbraw/zinc/18/62/02/632186202.db2.gz VQNYVEBQBHKXGI-NOZJJQNGSA-N 0 0 323.314 3.464 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](OC)C2CCCC2)c1 ZINC000850563609 632195567 /nfs/dbraw/zinc/19/55/67/632195567.db2.gz ZIRCBTFFHKTVNL-YVEFUNNKSA-N 0 0 321.417 3.035 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCc2ccco2)c1 ZINC000850570238 632197267 /nfs/dbraw/zinc/19/72/67/632197267.db2.gz ROYHQCLGNQNQSU-LBPRGKRZSA-N 0 0 303.358 3.055 20 10 DGCDRN CN(Cc1nc(-c2cccs2)no1)Cc1ccccc1O ZINC000109768831 632316340 /nfs/dbraw/zinc/31/63/40/632316340.db2.gz MWDNQLZYGGOEAH-UHFFFAOYSA-N 0 0 301.371 3.136 20 10 DGCDRN C[C@H](NC(=O)NCCc1ccc(N)cc1)C1CCC(F)CC1 ZINC000851663500 632467669 /nfs/dbraw/zinc/46/76/69/632467669.db2.gz AQWPOLUHOQHERW-GRTSSRMGSA-N 0 0 307.413 3.027 20 10 DGCDRN CCC1(CC)CCCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000851663211 632467721 /nfs/dbraw/zinc/46/77/21/632467721.db2.gz VWMOYXSNMNYZHY-UHFFFAOYSA-N 0 0 303.450 3.423 20 10 DGCDRN CN(C[C@H]1CCc2ccccc21)C(=O)NCCc1ccc(N)cc1 ZINC000851664519 632467823 /nfs/dbraw/zinc/46/78/23/632467823.db2.gz DDWSEHRYNYNLJV-QGZVFWFLSA-N 0 0 323.440 3.183 20 10 DGCDRN CCN(C)c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)cc1 ZINC000851709041 632472088 /nfs/dbraw/zinc/47/20/88/632472088.db2.gz QDTMOPUOVTXSML-LPHOPBHVSA-N 0 0 316.445 3.220 20 10 DGCDRN COC[C@@H](CN(Cc1ccccc1)c1ccc(OC)cc1)OC ZINC000851821450 632503361 /nfs/dbraw/zinc/50/33/61/632503361.db2.gz SCIGMPWDRLSCSM-LJQANCHMSA-N 0 0 315.413 3.363 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)NCCCC(C)C)C2)cc1 ZINC000851947333 632528241 /nfs/dbraw/zinc/52/82/41/632528241.db2.gz ZDEULQMEXKVYBX-OAHLLOKOSA-N 0 0 319.449 3.009 20 10 DGCDRN CC(C)[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1 ZINC000852137916 632561285 /nfs/dbraw/zinc/56/12/85/632561285.db2.gz AVGOLJWIVMXEST-SFHVURJKSA-N 0 0 313.445 3.297 20 10 DGCDRN COc1ccc(N(Cc2onc(C)c2[N+](=O)[O-])CC2CC2)cc1 ZINC000852134799 632561483 /nfs/dbraw/zinc/56/14/83/632561483.db2.gz HSHGZTACLULTMO-UHFFFAOYSA-N 0 0 317.345 3.316 20 10 DGCDRN CC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000184916127 660194991 /nfs/dbraw/zinc/19/49/91/660194991.db2.gz JJEBZQJZMHSZQJ-LLVKDONJSA-N 0 0 302.349 3.341 20 10 DGCDRN C[C@@H]([NH2+]CCCOCC1CCOCC1)c1ccc(F)cc1[O-] ZINC000185520155 660227054 /nfs/dbraw/zinc/22/70/54/660227054.db2.gz VAJMMXZUZPXXCL-CYBMUJFWSA-N 0 0 311.397 3.015 20 10 DGCDRN O=C(NCCCSc1nccs1)N1CCCC2(CC2)C1 ZINC000185545306 660229041 /nfs/dbraw/zinc/22/90/41/660229041.db2.gz WVLIVQSWEQSJCT-UHFFFAOYSA-N 0 0 311.476 3.211 20 10 DGCDRN Cc1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)no1 ZINC000173666803 659396665 /nfs/dbraw/zinc/39/66/65/659396665.db2.gz FFUDRHSJFUMCOZ-UHFFFAOYSA-N 0 0 312.325 3.124 20 10 DGCDRN CC[C@@H]1[C@@H](C)CCN1C(=O)NCCCSc1nccs1 ZINC000185648631 660235324 /nfs/dbraw/zinc/23/53/24/660235324.db2.gz SKLDGNWXFCZZQB-NWDGAFQWSA-N 0 0 313.492 3.455 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)CN1CCSC1=O ZINC000073389038 660270466 /nfs/dbraw/zinc/27/04/66/660270466.db2.gz FJDYODCCMYMFFJ-UHFFFAOYSA-N 0 0 319.474 3.235 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)C3=CCCCO3)cc2)CC1 ZINC000073476489 660355279 /nfs/dbraw/zinc/35/52/79/660355279.db2.gz BXTLEOPQBFQOFX-UHFFFAOYSA-N 0 0 314.429 3.233 20 10 DGCDRN COC(=O)COc1ccc(N(C)Cc2ccc(C#N)cc2C)cc1 ZINC000186326695 660369481 /nfs/dbraw/zinc/36/94/81/660369481.db2.gz AMRHJFUUFKKNKZ-UHFFFAOYSA-N 0 0 324.380 3.055 20 10 DGCDRN CSc1ccccc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186426723 660415228 /nfs/dbraw/zinc/41/52/28/660415228.db2.gz FYAVZADDUPQOAN-NSHDSACASA-N 0 0 317.410 3.181 20 10 DGCDRN CC[C@@H]1CO[C@@H](C)CN1Cc1c(O)cccc1Br ZINC000707146666 660893658 /nfs/dbraw/zinc/89/36/58/660893658.db2.gz QDPJWOLCPRYMHV-WDEREUQCSA-N 0 0 314.223 3.154 20 10 DGCDRN C[C@@H]1N(Cc2ccc(Br)cc2O)CCOC1(C)C ZINC000708321353 660920289 /nfs/dbraw/zinc/92/02/89/660920289.db2.gz SAEJMIFMEKXSCH-JTQLQIEISA-N 0 0 314.223 3.154 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCN1Cc1ccccc1 ZINC000708435961 660920828 /nfs/dbraw/zinc/92/08/28/660920828.db2.gz HJLPMZXYLRGHAW-INIZCTEOSA-N 0 0 318.367 3.035 20 10 DGCDRN CC(C)[C@@H]1CN(Cc2cc(Br)ccc2O)CCO1 ZINC000709029838 660923487 /nfs/dbraw/zinc/92/34/87/660923487.db2.gz ORYJBMSINZOKEE-AWEZNQCLSA-N 0 0 314.223 3.012 20 10 DGCDRN CC(C)[C@H]1CN(Cc2c(O)cccc2Br)CCO1 ZINC000708999828 660923678 /nfs/dbraw/zinc/92/36/78/660923678.db2.gz HWLHVMYWXBENJM-CQSZACIVSA-N 0 0 314.223 3.012 20 10 DGCDRN COc1ccc(CNC(=O)NC2CCCCCCC2)c(O)c1 ZINC000792776742 660983908 /nfs/dbraw/zinc/98/39/08/660983908.db2.gz AIAWOVXRQSEYNK-UHFFFAOYSA-N 0 0 306.406 3.313 20 10 DGCDRN C[C@@H]1CC[C@H](CNC(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000792953083 660996654 /nfs/dbraw/zinc/99/66/54/660996654.db2.gz XJNQXTDQRVPMRU-OLZOCXBDSA-N 0 0 307.413 3.127 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H]2CCC(C)(C)C[C@H]2C)c(O)c1 ZINC000792977435 660997991 /nfs/dbraw/zinc/99/79/91/660997991.db2.gz WHNDZKNXMKTGLI-IUODEOHRSA-N 0 0 320.433 3.415 20 10 DGCDRN COc1ccc(CNC(=O)N[C@H]2CCC[C@H](C(C)C)C2)c(O)c1 ZINC000792983960 660998380 /nfs/dbraw/zinc/99/83/80/660998380.db2.gz GTZJAGLAUDPVBG-ZFWWWQNUSA-N 0 0 320.433 3.415 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2C(C)C)c(O)c1 ZINC000792981591 660998486 /nfs/dbraw/zinc/99/84/86/660998486.db2.gz XPPZLQPUJBIFNZ-JKSUJKDBSA-N 0 0 320.433 3.415 20 10 DGCDRN CCC[C@@](C)(CC)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000793161798 661008878 /nfs/dbraw/zinc/00/88/78/661008878.db2.gz HIYNNFAPXODXMR-LJQANCHMSA-N 0 0 318.461 3.356 20 10 DGCDRN COCCC1(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC000793166241 661009046 /nfs/dbraw/zinc/00/90/46/661009046.db2.gz FWUZTMSERXBAJZ-CQSZACIVSA-N 0 0 319.449 3.072 20 10 DGCDRN COc1ccc(CNC(=O)N[C@H]2CCC[C@H](C)CC2)c(O)c1 ZINC000793171117 661009607 /nfs/dbraw/zinc/00/96/07/661009607.db2.gz MNGQZEQMBMACEI-JSGCOSHPSA-N 0 0 306.406 3.169 20 10 DGCDRN Cc1cccc(CNc2cccc(N3C(=O)CCCC3=O)c2)c1O ZINC000793257868 661018796 /nfs/dbraw/zinc/01/87/96/661018796.db2.gz XNJLFJILHHEHTH-UHFFFAOYSA-N 0 0 324.380 3.356 20 10 DGCDRN COc1ccc(CNCc2occc2Br)c(O)c1 ZINC000793387899 661029318 /nfs/dbraw/zinc/02/93/18/661029318.db2.gz BVVOCHXZKNDQJS-UHFFFAOYSA-N 0 0 312.163 3.046 20 10 DGCDRN COc1c(NCc2cccc(C)c2O)cc(Cl)cc1C(N)=O ZINC000793627508 661050875 /nfs/dbraw/zinc/05/08/75/661050875.db2.gz GWXFOMUSESJZSL-UHFFFAOYSA-N 0 0 320.776 3.074 20 10 DGCDRN CON(C[C@H]1CCC[C@@H](C)C1)C(=O)c1ccc(C)c(O)c1O ZINC000794326125 661078877 /nfs/dbraw/zinc/07/88/77/661078877.db2.gz FYTUPRWDIYSACZ-YPMHNXCESA-N 0 0 307.390 3.236 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(Cl)ccn2)c1 ZINC000794354380 661080259 /nfs/dbraw/zinc/08/02/59/661080259.db2.gz SRTAJOSNNIIKLB-VIFPVBQESA-N 0 0 321.764 3.332 20 10 DGCDRN COc1ccc(CNC(=O)c2cc(Cl)ccc2C)c(O)c1 ZINC000794376163 661081336 /nfs/dbraw/zinc/08/13/36/661081336.db2.gz CVWHRXRBEMNJHA-UHFFFAOYSA-N 0 0 305.761 3.293 20 10 DGCDRN COc1ccc(CNC(=O)C(F)(F)c2ccc(C)cc2)c(O)c1 ZINC000794374426 661081490 /nfs/dbraw/zinc/08/14/90/661081490.db2.gz SQARVBOQBVFZMI-UHFFFAOYSA-N 0 0 321.323 3.117 20 10 DGCDRN CC[C@H]1CCCC[C@@H]1OCC(=O)NCc1ccc(OC)cc1O ZINC000794387282 661082041 /nfs/dbraw/zinc/08/20/41/661082041.db2.gz HTERYFSMTQJJLC-GUYCJALGSA-N 0 0 321.417 3.002 20 10 DGCDRN COc1ccc(CNC(=O)c2ccc(C(C)C)cc2O)c(O)c1 ZINC000794388586 661082500 /nfs/dbraw/zinc/08/25/00/661082500.db2.gz YGDOXLLKBCRHJT-UHFFFAOYSA-N 0 0 315.369 3.160 20 10 DGCDRN COc1ccc(CNC(=O)c2cccc(Cl)c2C)c(O)c1 ZINC000794390577 661082586 /nfs/dbraw/zinc/08/25/86/661082586.db2.gz LZIPKYKNKRTWCV-UHFFFAOYSA-N 0 0 305.761 3.293 20 10 DGCDRN CCCc1nc(C)c(CN2CCOc3cc(N(C)C)ccc32)o1 ZINC000794451251 661085242 /nfs/dbraw/zinc/08/52/42/661085242.db2.gz XBXREFHBDLCDOS-UHFFFAOYSA-N 0 0 315.417 3.401 20 10 DGCDRN O=C(N[C@@H]1CC[C@H](c2cccc(F)c2)C1)c1cccc(O)c1O ZINC000794279790 661076088 /nfs/dbraw/zinc/07/60/88/661076088.db2.gz KIIJSFBJMXFVPZ-GXTWGEPZSA-N 0 0 315.344 3.303 20 10 DGCDRN Cc1nnc(CN(C)c2ccc(OCc3ccccc3)cc2)[nH]1 ZINC000794513274 661088268 /nfs/dbraw/zinc/08/82/68/661088268.db2.gz LJDRJEDKTQSOJJ-UHFFFAOYSA-N 0 0 308.385 3.329 20 10 DGCDRN CC[C@@H](Nc1ccc(OCC(N)=O)cc1)c1ccc(C)cc1O ZINC000794819526 661106942 /nfs/dbraw/zinc/10/69/42/661106942.db2.gz ZMYBCMAPPPXGAS-MRXNPFEDSA-N 0 0 314.385 3.128 20 10 DGCDRN CN(C)c1ccc(C=Cc2n[nH]cc2C=O)c(C(F)(F)F)c1 ZINC000794935014 661114809 /nfs/dbraw/zinc/11/48/09/661114809.db2.gz PAGYQWWCVGTBSO-GQCTYLIASA-N 0 0 309.291 3.477 20 10 DGCDRN Cc1ccccc1-n1nccc1/C=C1/SC(=S)N(C)C1=O ZINC000794859118 661110310 /nfs/dbraw/zinc/11/03/10/661110310.db2.gz JLTDVIFGRWZFGG-UKTHLTGXSA-N 0 0 315.423 3.012 20 10 DGCDRN CCc1nc(C(=O)NCc2ccc(N(CC)CC)cc2)c(C)o1 ZINC000795346034 661142102 /nfs/dbraw/zinc/14/21/02/661142102.db2.gz SYJLSIXQGDKLKC-UHFFFAOYSA-N 0 0 315.417 3.322 20 10 DGCDRN COc1cccc(CNC(=O)c2cc3c(ccc(C)c3C)[nH]2)c1O ZINC000175930270 655635891 /nfs/dbraw/zinc/63/58/91/655635891.db2.gz ZKHBMILHZISKAI-UHFFFAOYSA-N 0 0 324.380 3.429 20 10 DGCDRN CCc1nc(C)c(C(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000050293659 655653544 /nfs/dbraw/zinc/65/35/44/655653544.db2.gz YFDBSHCTLUGIAX-UHFFFAOYSA-N 0 0 303.431 3.010 20 10 DGCDRN CC[C@H]1CN(C(=O)/C=C\c2cncc(F)c2)c2ccccc2O1 ZINC000255228094 655660601 /nfs/dbraw/zinc/66/06/01/655660601.db2.gz QWWFODWDBYKNKP-LZNQSLFOSA-N 0 0 312.344 3.438 20 10 DGCDRN CCOc1ccc(N(CC)Cc2ccc(C(=O)OC)cn2)cc1 ZINC000795945492 661181288 /nfs/dbraw/zinc/18/12/88/661181288.db2.gz QMXCEYTUJMEEPL-UHFFFAOYSA-N 0 0 314.385 3.293 20 10 DGCDRN CC(C)CCn1ccc(NC(=O)N(C)Cc2ccccc2O)n1 ZINC000161444952 655798419 /nfs/dbraw/zinc/79/84/19/655798419.db2.gz DDIIWMOWVHSTPQ-UHFFFAOYSA-N 0 0 316.405 3.299 20 10 DGCDRN O=C1/C(=C/c2cccc(O)c2)SC(=S)N1c1cccnc1 ZINC000023215562 655805263 /nfs/dbraw/zinc/80/52/63/655805263.db2.gz RTIVSAYORIBYQZ-JYRVWZFOSA-N 0 0 314.391 3.193 20 10 DGCDRN Cc1cc(C(=O)N[C@H]2CCOC2)c(C)n1-c1cccc(Cl)c1 ZINC000179215840 655863895 /nfs/dbraw/zinc/86/38/95/655863895.db2.gz FOHOEYIAUHUHAW-AWEZNQCLSA-N 0 0 318.804 3.266 20 10 DGCDRN C[C@H]1CN(C(=O)/C=C\c2cncc(F)c2)c2ccc(F)cc2O1 ZINC000255719010 655891827 /nfs/dbraw/zinc/89/18/27/655891827.db2.gz PQFXSKJCVJFPDK-SROOVFNMSA-N 0 0 316.307 3.187 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H](c2ncccc2C)C(C)C)c(O)c1O ZINC000179501090 655894104 /nfs/dbraw/zinc/89/41/04/655894104.db2.gz IQSMHGPMJCPXSR-CQSZACIVSA-N 0 0 314.385 3.237 20 10 DGCDRN CN1C(=O)/C(=C/c2csc(-c3ccccn3)n2)SC1=S ZINC000255839636 655910711 /nfs/dbraw/zinc/91/07/11/655910711.db2.gz AFEBGWAFGQEBAM-POHAHGRESA-N 0 0 319.436 3.036 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C)CCOC)cc1 ZINC000725868791 656016532 /nfs/dbraw/zinc/01/65/32/656016532.db2.gz YWKDSOKUSAOIEQ-HNNXBMFYSA-N 0 0 321.465 3.099 20 10 DGCDRN Cc1nn(C)c2ncc(NCc3cc(Cl)ccc3O)cc12 ZINC000037084839 661214445 /nfs/dbraw/zinc/21/44/45/661214445.db2.gz AMIGTJYXBAESRZ-UHFFFAOYSA-N 0 0 302.765 3.248 20 10 DGCDRN CC(C)CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000075282751 656076527 /nfs/dbraw/zinc/07/65/27/656076527.db2.gz UAJCGRJUBAKQRC-UHFFFAOYSA-N 0 0 307.349 3.447 20 10 DGCDRN CCn1ncc2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3)cc21 ZINC000180991283 656096337 /nfs/dbraw/zinc/09/63/37/656096337.db2.gz MMTFEJFZETWJCR-XBXARRHUSA-N 0 0 323.352 3.119 20 10 DGCDRN Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)cc2F)s1 ZINC000312100313 656098549 /nfs/dbraw/zinc/09/85/49/656098549.db2.gz UFIGNZSXMMAGDV-UHFFFAOYSA-N 0 0 301.364 3.010 20 10 DGCDRN CCOc1ccc(C#N)cc1NCc1cc2c(cc1O)OCO2 ZINC000181416576 656098881 /nfs/dbraw/zinc/09/88/81/656098881.db2.gz YSDWOSSZUJBTCC-UHFFFAOYSA-N 0 0 312.325 3.003 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](C)CSC)cc1F ZINC000066841420 656147860 /nfs/dbraw/zinc/14/78/60/656147860.db2.gz DTPHBVJATPGAEZ-LBPRGKRZSA-N 0 0 312.454 3.287 20 10 DGCDRN CCCN(C(=O)/C=C/c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000194120561 656197785 /nfs/dbraw/zinc/19/77/85/656197785.db2.gz QCRLVMGHFWIAOC-CMDGGOBGSA-N 0 0 311.341 3.446 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCC2(SC)CCC2)c1 ZINC000195130590 656209333 /nfs/dbraw/zinc/20/93/33/656209333.db2.gz CDVNLVHQVHWFRA-LLVKDONJSA-N 0 0 324.446 3.047 20 10 DGCDRN CSC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093760940 656387777 /nfs/dbraw/zinc/38/77/77/656387777.db2.gz NIODXAVWYBMLIZ-NSHDSACASA-N 0 0 316.810 3.281 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H](CO)CC(F)(F)F ZINC000717790818 661267270 /nfs/dbraw/zinc/26/72/70/661267270.db2.gz NABIMQYUOXJXAU-MRVPVSSYSA-N 0 0 318.122 3.102 20 10 DGCDRN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(O)c1O ZINC000184770664 656425489 /nfs/dbraw/zinc/42/54/89/656425489.db2.gz CZWWVKLFGJXTTH-UHFFFAOYSA-N 0 0 313.231 3.249 20 10 DGCDRN COc1cc(NCc2ccc(N3CCOCC3)cc2)ccc1F ZINC000186744815 656447033 /nfs/dbraw/zinc/44/70/33/656447033.db2.gz DTFIWWHWYBUPAA-UHFFFAOYSA-N 0 0 316.376 3.283 20 10 DGCDRN O=C1N=C(NC2CCCCC2)SC1=Cc1ccc(O)cc1 ZINC000008322940 656576722 /nfs/dbraw/zinc/57/67/22/656576722.db2.gz WVSOBMDCAFPBND-UVTDQMKNSA-N 0 0 302.399 3.285 20 10 DGCDRN CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000317323523 656607520 /nfs/dbraw/zinc/60/75/20/656607520.db2.gz FRZMNKYJLYSNNY-OLZOCXBDSA-N 0 0 300.402 3.109 20 10 DGCDRN CCC(=O)Nc1ccc(NCc2cccc(OC)c2O)cc1 ZINC000236814769 656643907 /nfs/dbraw/zinc/64/39/07/656643907.db2.gz JPSAPQWRTMUOFR-UHFFFAOYSA-N 0 0 300.358 3.361 20 10 DGCDRN CN(C)c1ccc(C[N@@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000318130032 656721137 /nfs/dbraw/zinc/72/11/37/656721137.db2.gz SLYPRDCCHCGOCU-OAHLLOKOSA-N 0 0 304.434 3.075 20 10 DGCDRN O=C(NCCC1CC1)N(Cc1ccco1)Cc1ccccc1O ZINC000074819755 656757784 /nfs/dbraw/zinc/75/77/84/656757784.db2.gz ZLEZEZAYYQYBLH-UHFFFAOYSA-N 0 0 314.385 3.497 20 10 DGCDRN CCOc1ccc(SCC(=O)Nc2ccc(N)cc2)cc1 ZINC000236868956 656937116 /nfs/dbraw/zinc/93/71/16/656937116.db2.gz LAOYSLRFLOQWKF-UHFFFAOYSA-N 0 0 302.399 3.398 20 10 DGCDRN Cc1ccc(SCCNC(=O)Cc2ccc(N)cc2)cc1 ZINC000237772580 656964967 /nfs/dbraw/zinc/96/49/67/656964967.db2.gz WJHUNCNQBYNUKV-UHFFFAOYSA-N 0 0 300.427 3.028 20 10 DGCDRN O=C1NC(=S)S/C1=C\c1cc(F)cc(C(F)(F)F)c1 ZINC000178722430 657026356 /nfs/dbraw/zinc/02/63/56/657026356.db2.gz LRYLMMRKCWTHGL-BAQGIRSFSA-N 0 0 307.293 3.333 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCO[C@H](C)C1 ZINC000054150379 657090344 /nfs/dbraw/zinc/09/03/44/657090344.db2.gz CULAGUINNRBKCO-CYBMUJFWSA-N 0 0 304.415 3.017 20 10 DGCDRN CO[C@@H](C)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000067299329 657093409 /nfs/dbraw/zinc/09/34/09/657093409.db2.gz LYFDFEPXIAMZSW-AWEZNQCLSA-N 0 0 304.434 3.107 20 10 DGCDRN CCN1C(=O)/C(=C\c2c(C)nc3sc(C)cn23)SC1=S ZINC000048391483 657213975 /nfs/dbraw/zinc/21/39/75/657213975.db2.gz WXAKIHCIGONIFZ-BJMVGYQFSA-N 0 0 323.468 3.234 20 10 DGCDRN COc1ccc(O)c(CNc2ccc(F)c(NC(C)=O)c2)c1 ZINC000237207100 657380539 /nfs/dbraw/zinc/38/05/39/657380539.db2.gz BFUIJXDPOZYZKW-UHFFFAOYSA-N 0 0 304.321 3.110 20 10 DGCDRN COCC(=O)Nc1ccc(N[C@H](C)c2cc(F)ccc2O)cc1 ZINC000321655669 658275137 /nfs/dbraw/zinc/27/51/37/658275137.db2.gz KCXJRNSDOBEBBS-LLVKDONJSA-N 0 0 318.348 3.289 20 10 DGCDRN COc1cccc(C(=O)Nc2ccc(N)cc2)c1OC(F)F ZINC000237368928 658376749 /nfs/dbraw/zinc/37/67/49/658376749.db2.gz FNVCFIYRSMDPCR-UHFFFAOYSA-N 0 0 308.284 3.131 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2CCOC2)c(C)n1-c1ccc(Cl)cc1 ZINC000179224276 658387008 /nfs/dbraw/zinc/38/70/08/658387008.db2.gz AQFRXHQGVGPAEX-CQSZACIVSA-N 0 0 318.804 3.266 20 10 DGCDRN Cc1cc(C(=O)Nc2ccc(C)cn2)c(C)n1-c1ccccn1 ZINC000119731422 658717932 /nfs/dbraw/zinc/71/79/32/658717932.db2.gz SWXHQRHQWSNVTO-UHFFFAOYSA-N 0 0 306.369 3.445 20 10 DGCDRN COc1cc(CN2C[C@H](C)OC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000163954589 658910192 /nfs/dbraw/zinc/91/01/92/658910192.db2.gz AMFCHNWXRIXEEB-OLZOCXBDSA-N 0 0 307.434 3.308 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Nc2cc(C)on2)cc1 ZINC000056330297 658963304 /nfs/dbraw/zinc/96/33/04/658963304.db2.gz KMBKIBAKTZPPCE-UHFFFAOYSA-N 0 0 302.378 3.151 20 10 DGCDRN CC(C)CCN(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000057661336 659023666 /nfs/dbraw/zinc/02/36/66/659023666.db2.gz UKOLARFLGRMDBF-UHFFFAOYSA-N 0 0 303.450 3.257 20 10 DGCDRN CN1C(=O)/C(=C/c2cccc(OC(F)F)c2)SC1=S ZINC000057771505 659027573 /nfs/dbraw/zinc/02/75/73/659027573.db2.gz FUXCWWFSMSTTRT-TWGQIWQCSA-N 0 0 301.339 3.119 20 10 DGCDRN Cc1cc(C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccccc1C ZINC000046467646 659123341 /nfs/dbraw/zinc/12/33/41/659123341.db2.gz CKMQKZZUIXOBCF-MRXNPFEDSA-N 0 0 312.413 3.311 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2c(F)cccc2F)cc1 ZINC000060678669 659193309 /nfs/dbraw/zinc/19/33/09/659193309.db2.gz AEIQAQRUXTTZNP-UHFFFAOYSA-N 0 0 304.340 3.303 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)CCc2ccsc2)cc1 ZINC000060678814 659193344 /nfs/dbraw/zinc/19/33/44/659193344.db2.gz ZQRFHDWUPMGDGT-UHFFFAOYSA-N 0 0 302.443 3.405 20 10 DGCDRN COCCN(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000170724235 659229462 /nfs/dbraw/zinc/22/94/62/659229462.db2.gz CCQFKPFFPGDLFJ-UHFFFAOYSA-N 0 0 305.399 3.172 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccc(NC(N)=O)cc1 ZINC000170789482 659236929 /nfs/dbraw/zinc/23/69/29/659236929.db2.gz ROZCOMNOGGVIFA-QWRGUYRKSA-N 0 0 317.364 3.434 20 10 DGCDRN Cc1cc(C(=O)Nc2n[nH]c(C)n2)c(C)n1-c1cccc(C)c1 ZINC000171545640 659287419 /nfs/dbraw/zinc/28/74/19/659287419.db2.gz HVBQANIEPSAYAY-UHFFFAOYSA-N 0 0 309.373 3.081 20 10 DGCDRN CC[C@H]1CN(C(=O)/C=C/c2cncc(F)c2)c2ccccc2O1 ZINC000172688536 659349366 /nfs/dbraw/zinc/34/93/66/659349366.db2.gz QWWFODWDBYKNKP-KIUWMYQTSA-N 0 0 312.344 3.438 20 10 DGCDRN CN(C)c1ccc([C@H]2Nc3cccc(Cl)c3C(=O)N2)cc1 ZINC000172863731 659358733 /nfs/dbraw/zinc/35/87/33/659358733.db2.gz OVBNHNLPWDOVOH-HNNXBMFYSA-N 0 0 301.777 3.260 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N(C)CC(C)(C)O ZINC000174524307 659437293 /nfs/dbraw/zinc/43/72/93/659437293.db2.gz WLCUUNYIIDAXQQ-UHFFFAOYSA-N 0 0 314.429 3.245 20 10 DGCDRN O=C(Cc1ccc(F)cc1)NCc1c(O)ccc2c1CCCC2 ZINC000174517194 659437529 /nfs/dbraw/zinc/43/75/29/659437529.db2.gz IMLJAEPFDBVAIE-UHFFFAOYSA-N 0 0 313.372 3.269 20 10 DGCDRN COCCN(Cc1ccc(F)cc1)c1ccc(OC)c(OC)c1 ZINC000174798791 659680302 /nfs/dbraw/zinc/68/03/02/659680302.db2.gz RHTXJULCWMFIBX-UHFFFAOYSA-N 0 0 319.376 3.496 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2CCCCCn1cccn1 ZINC000175029090 659915391 /nfs/dbraw/zinc/91/53/91/659915391.db2.gz RKCHXYGUYWFPTC-UHFFFAOYSA-N 0 0 314.433 3.018 20 10 DGCDRN COc1ccc(N(C)CCCOCC(F)(F)F)cc1OC ZINC000064517153 659918654 /nfs/dbraw/zinc/91/86/54/659918654.db2.gz PALOKSBDRWIWFG-UHFFFAOYSA-N 0 0 307.312 3.109 20 10 DGCDRN Cc1cc(C(=O)N(C)Cc2ccncc2)c(C)n1-c1ccccn1 ZINC000068029534 659937117 /nfs/dbraw/zinc/93/71/17/659937117.db2.gz DUEOOKCIVXFLDB-UHFFFAOYSA-N 0 0 320.396 3.156 20 10 DGCDRN Cc1ccc(C(=O)CCC(=O)NCCc2ccc(N)cc2)cc1C ZINC000237836471 659944486 /nfs/dbraw/zinc/94/44/86/659944486.db2.gz ITJPBTRFXJCUSJ-UHFFFAOYSA-N 0 0 324.424 3.207 20 10 DGCDRN COc1cccc(CNC(=O)Cc2cccc3ccccc32)c1O ZINC000068488766 659954370 /nfs/dbraw/zinc/95/43/70/659954370.db2.gz FDAAMLMFCQBETK-UHFFFAOYSA-N 0 0 321.376 3.413 20 10 DGCDRN COc1cccc(CNC(=O)c2cc(Cl)ccc2F)c1O ZINC000068488978 659954542 /nfs/dbraw/zinc/95/45/42/659954542.db2.gz SOAFCGHHXJHJQS-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1CCCCC1 ZINC000068535589 659956439 /nfs/dbraw/zinc/95/64/39/659956439.db2.gz RWUSZWHNOVWORQ-UHFFFAOYSA-N 0 0 316.445 3.062 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N(Cc1ccccc1)C1CC1 ZINC000180620996 659966280 /nfs/dbraw/zinc/96/62/80/659966280.db2.gz KDYPQNQLUYBDQT-YRNVUSSQSA-N 0 0 309.365 3.302 20 10 DGCDRN COc1cccc(CN(C)c2ccc3c(c2)OCO3)c1OC ZINC000180761804 659969865 /nfs/dbraw/zinc/96/98/65/659969865.db2.gz QFMDPQLSULNBOC-UHFFFAOYSA-N 0 0 301.342 3.069 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(O)cc1F ZINC000181200635 659986219 /nfs/dbraw/zinc/98/62/19/659986219.db2.gz NNXGLKBEIFHBLO-UHFFFAOYSA-N 0 0 303.333 3.289 20 10 DGCDRN CCOc1ccccc1N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181261406 659989805 /nfs/dbraw/zinc/98/98/05/659989805.db2.gz PWQZHMXPBXNETD-PKNBQFBNSA-N 0 0 313.353 3.173 20 10 DGCDRN CC[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000069638161 660012181 /nfs/dbraw/zinc/01/21/81/660012181.db2.gz HWBDFXJRHXWVGQ-YJBOKZPZSA-N 0 0 318.461 3.306 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccc3ncsc3c2)c(O)c1O ZINC000182011444 660030415 /nfs/dbraw/zinc/03/04/15/660030415.db2.gz ABHKUHJJDBUIPY-UHFFFAOYSA-N 0 0 300.339 3.268 20 10 DGCDRN C[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1C[NH3+] ZINC000253193322 660030735 /nfs/dbraw/zinc/03/07/35/660030735.db2.gz OMKRMGYFWZUHIF-GXSJLCMTSA-N 0 0 303.233 3.116 20 10 DGCDRN C[C@@H](CC(=O)NCc1ccc(O)c(O)c1)c1ccc(F)cc1F ZINC000182544096 660061469 /nfs/dbraw/zinc/06/14/69/660061469.db2.gz NGMZYYCRNHDMHB-JTQLQIEISA-N 0 0 321.323 3.186 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1ccc([N+](=O)[O-])cc1F ZINC000183599510 660125158 /nfs/dbraw/zinc/12/51/58/660125158.db2.gz RLRUDXLGYKRIOI-VIFPVBQESA-N 0 0 306.293 3.188 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000184148028 660156955 /nfs/dbraw/zinc/15/69/55/660156955.db2.gz ITXKUIQUFLCKBQ-MRVPVSSYSA-N 0 0 324.283 3.327 20 10 DGCDRN Cc1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)nc1 ZINC000184239425 660159935 /nfs/dbraw/zinc/15/99/35/660159935.db2.gz VXBQTQRAVMSVDT-UHFFFAOYSA-N 0 0 308.385 3.088 20 10 DGCDRN COc1ccc(N2CCN(C(=O)C[C@H]3CCC[C@H]3C)CC2)cc1 ZINC000184605828 660176063 /nfs/dbraw/zinc/17/60/63/660176063.db2.gz QUHPGFFGGXOAPN-HZPDHXFCSA-N 0 0 316.445 3.170 20 10 DGCDRN C[C@H](NCC(F)(F)CO)c1ccc(N2CCCCC2)c(F)c1 ZINC000184689010 660180501 /nfs/dbraw/zinc/18/05/01/660180501.db2.gz WVKBQHUTELAKGB-LBPRGKRZSA-N 0 0 316.367 3.094 20 10 DGCDRN CC[C@@H]1CCCC[C@@H]1OCC(=O)NCc1cc(OC)ccc1O ZINC000184718071 660182857 /nfs/dbraw/zinc/18/28/57/660182857.db2.gz IZHVLBNIWYPWQV-DYVFJYSZSA-N 0 0 321.417 3.002 20 10 DGCDRN CC(C)[C@H]1C[C@@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000929531659 661315508 /nfs/dbraw/zinc/31/55/08/661315508.db2.gz HTDWHYWEGMFINF-FUHWJXTLSA-N 0 0 318.461 3.162 20 10 DGCDRN COC(=O)c1cc(CN(c2ccc(OC)c(F)c2)C(C)C)on1 ZINC000929949631 661353008 /nfs/dbraw/zinc/35/30/08/661353008.db2.gz AOWUJEPSEJIDPU-UHFFFAOYSA-N 0 0 322.336 3.024 20 10 DGCDRN CC(C)c1nsc(CN2CCOc3cc(N(C)C)ccc32)n1 ZINC000930127051 661368612 /nfs/dbraw/zinc/36/86/12/661368612.db2.gz VDYNKMOFXRVOHF-UHFFFAOYSA-N 0 0 318.446 3.127 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)[C@@]3(C)C=CCC3)CC2)cc1 ZINC000930310025 661387480 /nfs/dbraw/zinc/38/74/80/661387480.db2.gz QNJXJWUVTLSVGI-IBGZPJMESA-N 0 0 314.429 3.090 20 10 DGCDRN CC(C)Oc1cc(NC(=O)N2Cc3cccc(O)c3C2)ccn1 ZINC000930991334 661443781 /nfs/dbraw/zinc/44/37/81/661443781.db2.gz PRBKANIJFBJVQO-UHFFFAOYSA-N 0 0 313.357 3.122 20 10 DGCDRN COCCc1ccccc1NC(=O)N1Cc2cccc(O)c2C1 ZINC000931030724 661446656 /nfs/dbraw/zinc/44/66/56/661446656.db2.gz GYIKGJRWZBYJDD-UHFFFAOYSA-N 0 0 312.369 3.129 20 10 DGCDRN COC1CCN(c2ccc(CN3CC[C@H]3C(F)F)cc2)CC1 ZINC000931425031 661475307 /nfs/dbraw/zinc/47/53/07/661475307.db2.gz DIMGGCOCJUMUOZ-INIZCTEOSA-N 0 0 310.388 3.141 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCO[C@H](C(C)C)C1 ZINC000932944597 661611317 /nfs/dbraw/zinc/61/13/17/661611317.db2.gz YFCZNJUWXGGZSM-QAPCUYQASA-N 0 0 318.461 3.128 20 10 DGCDRN C[C@H](NC(=O)N[C@](C)(C1CC1)C(F)(F)F)c1ccccc1O ZINC000933562625 661641162 /nfs/dbraw/zinc/64/11/62/661641162.db2.gz DDVCIDBTRPCTSN-LKFCYVNXSA-N 0 0 316.323 3.483 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)C[C@H]1CC[C@H](C2CC2)O1 ZINC000934706559 661728149 /nfs/dbraw/zinc/72/81/49/661728149.db2.gz NILDVNLLACQGLD-SJLPKXTDSA-N 0 0 317.429 3.479 20 10 DGCDRN C[C@@H](NC(=O)Nc1ccnn1C1CCC1)c1ccccc1O ZINC000934728653 661730616 /nfs/dbraw/zinc/73/06/16/661730616.db2.gz OSGQKONNXLAXQO-LLVKDONJSA-N 0 0 300.362 3.196 20 10 DGCDRN COc1cccc(C[C@H](C)CC(=O)NCc2ccccc2O)c1 ZINC000934935259 661749858 /nfs/dbraw/zinc/74/98/58/661749858.db2.gz HBBMNYQGFXFHFE-AWEZNQCLSA-N 0 0 313.397 3.286 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)C2(OC)CCCCCC2)c1 ZINC000934941370 661750480 /nfs/dbraw/zinc/75/04/80/661750480.db2.gz WXYWEZHHFVCHEZ-ZDUSSCGKSA-N 0 0 321.417 3.317 20 10 DGCDRN Cn1cnc(/C=C/C(=O)N2CCc3c2cccc3C(F)(F)F)c1 ZINC000935387979 661781962 /nfs/dbraw/zinc/78/19/62/661781962.db2.gz PUNQTPJVQPSCSD-AATRIKPKSA-N 0 0 321.302 3.041 20 10 DGCDRN C[C@H](NC(=O)c1cccc2c1CCOC2)c1ccc(N(C)C)cc1 ZINC000935465860 661788243 /nfs/dbraw/zinc/78/82/43/661788243.db2.gz UTBKYOALCNKJKE-AWEZNQCLSA-N 0 0 324.424 3.316 20 10 DGCDRN COc1ccc(F)cc1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000155891308 661854408 /nfs/dbraw/zinc/85/44/08/661854408.db2.gz BYCIVTMMDBOSNV-UHFFFAOYSA-N 0 0 317.364 3.222 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2c(C)[nH]c3ccccc32)c1 ZINC000155946926 661855609 /nfs/dbraw/zinc/85/56/09/661855609.db2.gz CPJPAAMTQRFQDE-UHFFFAOYSA-N 0 0 310.353 3.121 20 10 DGCDRN Cn1cc(/C=C/C(=O)N(CC2CCCCC2)c2ccccn2)cn1 ZINC000157572894 661867874 /nfs/dbraw/zinc/86/78/74/661867874.db2.gz LHIJIPVYWXDVDM-ZHACJKMWSA-N 0 0 324.428 3.442 20 10 DGCDRN O=C(/C=C/c1cncc(F)c1)N1CCOc2c(Cl)cccc21 ZINC000158570910 661874424 /nfs/dbraw/zinc/87/44/24/661874424.db2.gz QCBVLIBZDSOJHS-SNAWJCMRSA-N 0 0 318.735 3.313 20 10 DGCDRN COCCCNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000047465929 661877139 /nfs/dbraw/zinc/87/71/39/661877139.db2.gz UALABOMKOYEZKN-UHFFFAOYSA-N 0 0 300.402 3.169 20 10 DGCDRN Cc1cc2cc(C(=O)NCc3ccc(O)c(O)c3)oc2cc1C ZINC000158960117 661880611 /nfs/dbraw/zinc/88/06/11/661880611.db2.gz NETNJLFWGVZOPC-UHFFFAOYSA-N 0 0 311.337 3.391 20 10 DGCDRN Cc1cc(C(=O)OC[C@H]2CC[C@H](C)O2)c(C)n1-c1ccccn1 ZINC000159273170 661885007 /nfs/dbraw/zinc/88/50/07/661885007.db2.gz KEKJNWBKQXLMDO-DZGCQCFKSA-N 0 0 314.385 3.213 20 10 DGCDRN COc1cccc(CNC(=O)c2cc(C)cc(Cl)c2)c1O ZINC000159711401 661893872 /nfs/dbraw/zinc/89/38/72/661893872.db2.gz LJXOTKWVFRKLCW-UHFFFAOYSA-N 0 0 305.761 3.293 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2cccc(Cl)c2F)c1 ZINC000159765577 661895174 /nfs/dbraw/zinc/89/51/74/661895174.db2.gz IZJCAPVLFMMILI-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN COc1ccc(-c2nnc(CSc3nccs3)o2)cc1 ZINC000048875309 661897039 /nfs/dbraw/zinc/89/70/39/661897039.db2.gz SMLPDHQWHJTGMD-UHFFFAOYSA-N 0 0 305.384 3.494 20 10 DGCDRN CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nccs2)c1 ZINC000048875366 661897102 /nfs/dbraw/zinc/89/71/02/661897102.db2.gz UFCOSJXQPHIBDM-JTQLQIEISA-N 0 0 306.412 3.465 20 10 DGCDRN C[C@H](Nc1ccc(OC2COC2)cc1)c1ccc(F)cc1O ZINC000188656177 661938759 /nfs/dbraw/zinc/93/87/59/661938759.db2.gz DSDGLTSFDREAKZ-NSHDSACASA-N 0 0 303.333 3.482 20 10 DGCDRN COC(CN(C)c1ccc(OCc2ccccc2)cc1)OC ZINC000189645177 661985887 /nfs/dbraw/zinc/98/58/87/661985887.db2.gz VLWWFVODKBXIEI-UHFFFAOYSA-N 0 0 301.386 3.321 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000076991076 662014553 /nfs/dbraw/zinc/01/45/53/662014553.db2.gz GJYNSWBKBILURP-UHFFFAOYSA-N 0 0 320.732 3.226 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H](C)C[C@H](C)O)cc1 ZINC000077118209 662015825 /nfs/dbraw/zinc/01/58/25/662015825.db2.gz LYFPPNSYINJGGI-CJNGLKHVSA-N 0 0 314.429 3.231 20 10 DGCDRN Cc1nc(C(F)(F)F)ccc1C(=O)N(C)Cc1ccccc1O ZINC000077258380 662018238 /nfs/dbraw/zinc/01/82/38/662018238.db2.gz WFPNRANUPQYNFY-UHFFFAOYSA-N 0 0 324.302 3.387 20 10 DGCDRN CCOc1ccc(O)c([C@@H]2NC(=O)c3c(Cl)cccc3N2)c1 ZINC000078788159 662084969 /nfs/dbraw/zinc/08/49/69/662084969.db2.gz VQXZQACWZKNCDG-HNNXBMFYSA-N 0 0 318.760 3.298 20 10 DGCDRN CSc1cc(O)ccc1NS(=O)(=O)c1cccc(C)c1 ZINC000192155392 662089396 /nfs/dbraw/zinc/08/93/96/662089396.db2.gz OPFLHLMKJHZYCZ-UHFFFAOYSA-N 0 0 309.412 3.223 20 10 DGCDRN CN(C)c1ccc(CNc2ccc(N3CCCC3=O)cc2)cc1 ZINC000078970583 662092831 /nfs/dbraw/zinc/09/28/31/662092831.db2.gz JRXDDEYGACTQEP-UHFFFAOYSA-N 0 0 309.413 3.492 20 10 DGCDRN Cc1ccccc1Cc1noc(CN(C)Cc2ccccc2O)n1 ZINC000079433203 662110327 /nfs/dbraw/zinc/11/03/27/662110327.db2.gz ODRARHDEGXHXCJ-UHFFFAOYSA-N 0 0 323.396 3.306 20 10 DGCDRN CCCNc1ccc(C#N)cc1NC(=O)c1cccc(O)c1O ZINC000193090664 662122401 /nfs/dbraw/zinc/12/24/01/662122401.db2.gz QFGXQBSOLNHYMI-UHFFFAOYSA-N 0 0 311.341 3.044 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N(C)[C@H](C)C2CC2)cc1 ZINC000080069747 662129450 /nfs/dbraw/zinc/12/94/50/662129450.db2.gz LLVYBTXGSLEHOF-CQSZACIVSA-N 0 0 303.450 3.473 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ccoc1Br ZINC000193316741 662130124 /nfs/dbraw/zinc/13/01/24/662130124.db2.gz GQWVEMXKWAQXEH-UHFFFAOYSA-N 0 0 310.147 3.020 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N(C)Cc2ccco2)cc1 ZINC000193412760 662133502 /nfs/dbraw/zinc/13/35/02/662133502.db2.gz IWYHJWCOFSGFNB-UHFFFAOYSA-N 0 0 315.417 3.467 20 10 DGCDRN O=C(CCc1ccc(O)cc1)NCc1ccc(N2CCCC2)cc1 ZINC000193477782 662135665 /nfs/dbraw/zinc/13/56/65/662135665.db2.gz POFNQDIWMCTXJC-UHFFFAOYSA-N 0 0 324.424 3.241 20 10 DGCDRN COc1cc(-c2nc3cccc(Cl)c3n2C)cc(O)c1O ZINC000194109728 662157366 /nfs/dbraw/zinc/15/73/66/662157366.db2.gz MQTDZEQRVUKTHA-UHFFFAOYSA-N 0 0 304.733 3.314 20 10 DGCDRN COc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1Cl ZINC000194904703 662175543 /nfs/dbraw/zinc/17/55/43/662175543.db2.gz SEAIVMRTULXLFA-XVNBXDOJSA-N 0 0 319.744 3.412 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cccc(Cl)n1 ZINC000195250778 662181740 /nfs/dbraw/zinc/18/17/40/662181740.db2.gz PRDHENJYAKATCQ-UHFFFAOYSA-N 0 0 315.804 3.265 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](C)C2)cc1 ZINC000195564986 662191718 /nfs/dbraw/zinc/19/17/18/662191718.db2.gz XRDZYKJJVANCLG-OAHLLOKOSA-N 0 0 303.450 3.474 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Cc2ccc(F)c(F)c2)cc1F ZINC000087209978 662224368 /nfs/dbraw/zinc/22/43/68/662224368.db2.gz DSQMQHZTVQZNGW-UHFFFAOYSA-N 0 0 322.330 3.029 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Cc1cccc(F)c1F ZINC000087299386 662224935 /nfs/dbraw/zinc/22/49/35/662224935.db2.gz BDGNKDRYAXACIV-UHFFFAOYSA-N 0 0 318.367 3.198 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)CCO[C@H](C)CC(C)C)c1 ZINC000088360177 662230991 /nfs/dbraw/zinc/23/09/91/662230991.db2.gz UYVXUOOKDSSIOQ-KGLIPLIRSA-N 0 0 323.433 3.419 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)c1 ZINC000245557409 662236021 /nfs/dbraw/zinc/23/60/21/662236021.db2.gz SKKVQZQHNNAPLT-HDJSIYSDSA-N 0 0 305.418 3.479 20 10 DGCDRN Cc1cc(Br)cc(CN2CCO[C@@H](C)[C@H]2C)c1O ZINC000245855386 662242776 /nfs/dbraw/zinc/24/27/76/662242776.db2.gz NHSBITOGBUUBSP-MNOVXSKESA-N 0 0 314.223 3.072 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1cnc2n1CCC2 ZINC000719874846 662297541 /nfs/dbraw/zinc/29/75/41/662297541.db2.gz LJPDZOYPTVXLBS-UHFFFAOYSA-N 0 0 312.200 3.132 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1Cc2ccccc2O1 ZINC000248084594 662333644 /nfs/dbraw/zinc/33/36/44/662333644.db2.gz DKBMBNLLUPQSFQ-LJQANCHMSA-N 0 0 324.424 3.105 20 10 DGCDRN CCn1nc(C)c([N+](=O)[O-])c1NCc1cccc(Cl)c1O ZINC000897392064 685310687 /nfs/dbraw/zinc/31/06/87/685310687.db2.gz LGHMMOZSUOLHPG-UHFFFAOYSA-N 0 0 310.741 3.091 20 10 DGCDRN Cc1cccc(O[C@H](C)C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000061077560 685051684 /nfs/dbraw/zinc/05/16/84/685051684.db2.gz YKSDKDWEWISLKG-OAHLLOKOSA-N 0 0 312.413 3.145 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccccc2O)c(Br)c1 ZINC000159952208 685100051 /nfs/dbraw/zinc/10/00/51/685100051.db2.gz XDDHYPRCWHROHO-UHFFFAOYSA-N 0 0 320.186 3.393 20 10 DGCDRN CCC[C@]1([NH2+]Cc2cccc(Br)c2[O-])CCOC1 ZINC000378723738 685144468 /nfs/dbraw/zinc/14/44/68/685144468.db2.gz AGCWJXSDIQKKED-AWEZNQCLSA-N 0 0 314.223 3.204 20 10 DGCDRN [O-]c1c(Br)cccc1C[NH2+][C@H]1CCC(F)(F)C1 ZINC000383976623 685169413 /nfs/dbraw/zinc/16/94/13/685169413.db2.gz JLXWWBNRKVTSQQ-VIFPVBQESA-N 0 0 306.150 3.432 20 10 DGCDRN Cc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(F)c1 ZINC000387943998 685186819 /nfs/dbraw/zinc/18/68/19/685186819.db2.gz FSKYFOXPCUGSQV-UHFFFAOYSA-N 0 0 300.377 3.472 20 10 DGCDRN CN(C)c1ccc(C[N@@H+]2CCc3c(cccc3C(=O)[O-])C2)cc1 ZINC000391352510 685211025 /nfs/dbraw/zinc/21/10/25/685211025.db2.gz FTIWCDCDPUJCOX-UHFFFAOYSA-N 0 0 310.397 3.009 20 10 DGCDRN Cn1c(Cl)cnc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000393321344 685216405 /nfs/dbraw/zinc/21/64/05/685216405.db2.gz GTKFVARMZYTOEQ-UHFFFAOYSA-N 0 0 320.607 3.376 20 10 DGCDRN CC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)C[C@@H](CC)O1 ZINC000398443521 685237515 /nfs/dbraw/zinc/23/75/15/685237515.db2.gz PVVYLNYPHWBXCQ-HUUCEWRRSA-N 0 0 309.381 3.123 20 10 DGCDRN CCC(CC)(C[NH3+])C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC001577051541 1191881638 /nfs/dbraw/zinc/88/16/38/1191881638.db2.gz UQAUVVMSTZZCGY-UHFFFAOYSA-N 0 0 319.232 3.080 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1oc(C[NH3+])cc1C ZINC001577458121 1191903437 /nfs/dbraw/zinc/90/34/37/1191903437.db2.gz VERPUYYZENLJDC-UHFFFAOYSA-N 0 0 316.401 3.195 20 10 DGCDRN Oc1c(F)cc(F)cc1CNc1cccc(-c2cn[nH]n2)c1 ZINC001578050823 1191920955 /nfs/dbraw/zinc/92/09/55/1191920955.db2.gz GBKSBWOFYSGAPX-UHFFFAOYSA-N 0 0 302.284 3.068 20 10 DGCDRN CCOc1ccc(N(CCN2CCOC[C@@H]2C)CC2CC2)cc1 ZINC001620499551 1191951685 /nfs/dbraw/zinc/95/16/85/1191951685.db2.gz VELXJGMADUQKPY-INIZCTEOSA-N 0 0 318.461 3.022 20 10 DGCDRN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)Cc1ccc(N)cc1 ZINC001579734848 1191989747 /nfs/dbraw/zinc/98/97/47/1191989747.db2.gz PKSCARWJGUSAMO-UHFFFAOYSA-N 0 0 314.341 3.080 20 10 DGCDRN Cc1sc(-c2ccco2)nc1C(=O)NCc1ccc(N)cc1 ZINC001579930403 1191999341 /nfs/dbraw/zinc/99/93/41/1191999341.db2.gz MPJCDBJWRLUCKC-UHFFFAOYSA-N 0 0 313.382 3.224 20 10 DGCDRN Nc1ccc(CCNC(=O)c2ccc3c(c2)CCCCC3=O)cc1 ZINC001580443516 1192027430 /nfs/dbraw/zinc/02/74/30/1192027430.db2.gz MRXHLCCAUIKDLP-UHFFFAOYSA-N 0 0 322.408 3.150 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2C[C@@H](F)C[C@H]2C(F)(F)F)c1O ZINC001620677341 1192061934 /nfs/dbraw/zinc/06/19/34/1192061934.db2.gz OKQFOCNDFLRXCD-JQWIXIFHSA-N 0 0 323.261 3.209 20 10 DGCDRN CC(=O)c1ccc(N(C)C(=O)C=Cc2cnc(C)s2)cc1 ZINC001583376116 1192144322 /nfs/dbraw/zinc/14/43/22/1192144322.db2.gz HSYKXENDSOHCEM-HJWRWDBZSA-N 0 0 300.383 3.330 20 10 DGCDRN Cc1cc(Cl)c2c(c1)CCCN2C(=O)/C=C\c1cnn(C)c1 ZINC001583474955 1192147756 /nfs/dbraw/zinc/14/77/56/1192147756.db2.gz XQYZUJQCQBVXKJ-WAYWQWQTSA-N 0 0 315.804 3.375 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1ccc(Cl)cc1O ZINC001583816978 1192161276 /nfs/dbraw/zinc/16/12/76/1192161276.db2.gz PDPUIMRELVEZJP-UHFFFAOYSA-N 0 0 312.152 3.335 20 10 DGCDRN Cc1ncccc1/C=C\C(=O)NCc1cc(Cl)ccc1O ZINC001583821056 1192162093 /nfs/dbraw/zinc/16/20/93/1192162093.db2.gz SMYNNSOZQPFZPV-DAXSKMNVSA-N 0 0 302.761 3.079 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@H](F)Cc1ccccc1 ZINC001583820485 1192162134 /nfs/dbraw/zinc/16/21/34/1192162134.db2.gz CXDVFHBDOUOCPH-CQSZACIVSA-N 0 0 307.752 3.243 20 10 DGCDRN CCCCCC[C@H](O)CCC(=O)NCc1cc(C)ccc1O ZINC001584989088 1192234744 /nfs/dbraw/zinc/23/47/44/1192234744.db2.gz PIVORGWJYIVUPG-INIZCTEOSA-N 0 0 307.434 3.428 20 10 DGCDRN Cc1ccc(C[C@H](C)NC(=O)Cc2ccc(O)c(O)c2)c(C)c1 ZINC001585960974 1192296276 /nfs/dbraw/zinc/29/62/76/1192296276.db2.gz IJJKRTZNTPRATG-AWEZNQCLSA-N 0 0 313.397 3.005 20 10 DGCDRN CCCOc1ccc(NC(=O)c2cccc(O)c2O)cc1F ZINC001586495770 1192333929 /nfs/dbraw/zinc/33/39/29/1192333929.db2.gz UZSKFSNTPCVAQP-UHFFFAOYSA-N 0 0 305.305 3.278 20 10 DGCDRN CC(=O)Nc1c(C)cccc1C(=O)N[C@H](C)c1ccccc1O ZINC001587445098 1192399897 /nfs/dbraw/zinc/39/98/97/1192399897.db2.gz VHGUOGUWQQBVHR-GFCCVEGCSA-N 0 0 312.369 3.150 20 10 DGCDRN C[C@H](NC(=O)c1[nH]nc2ccc(Cl)cc21)c1ccccc1O ZINC001587451031 1192400626 /nfs/dbraw/zinc/40/06/26/1192400626.db2.gz FQYSNMQQPOHZKS-VIFPVBQESA-N 0 0 315.760 3.413 20 10 DGCDRN Cc1cc(CNC(=O)[C@]2(C)CCCO2)c(C)n1-c1ccccc1 ZINC001587886151 1192423511 /nfs/dbraw/zinc/42/35/11/1192423511.db2.gz ITSZEZYPOMTUOE-IBGZPJMESA-N 0 0 312.413 3.279 20 10 DGCDRN COc1ccc(C)nc1NCc1cc(F)c(N(C)C)cc1F ZINC001620849890 1192452720 /nfs/dbraw/zinc/45/27/20/1192452720.db2.gz NVQNATXVKCZTAR-UHFFFAOYSA-N 0 0 307.344 3.355 20 10 DGCDRN Clc1cnc(SCc2ccccc2-c2nn[nH]n2)s1 ZINC001592539491 1192616453 /nfs/dbraw/zinc/61/64/53/1192616453.db2.gz ZQIHUJAFRWZOGG-UHFFFAOYSA-N 0 0 309.807 3.269 20 10 DGCDRN C[C@H](CC(=O)NCc1cc(O)ccc1O)c1ccc(F)cc1 ZINC001593873282 1192641030 /nfs/dbraw/zinc/64/10/30/1192641030.db2.gz NLKWDFCPCFZIDW-LLVKDONJSA-N 0 0 303.333 3.047 20 10 DGCDRN CC(=O)CCC(C)(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001595436479 1192658883 /nfs/dbraw/zinc/65/88/83/1192658883.db2.gz XTYOQPKFXAJBIW-UHFFFAOYSA-N 0 0 316.445 3.298 20 10 DGCDRN CC(=O)c1ccc(N(C)C(=O)C=Cc2scnc2C)cc1 ZINC001596402429 1192692494 /nfs/dbraw/zinc/69/24/94/1192692494.db2.gz VEDIXCHQCTYPIU-CMDGGOBGSA-N 0 0 300.383 3.330 20 10 DGCDRN Cc1cc(CNC(=O)C(=O)C(C)(C)C)c(C)n1-c1ccccc1 ZINC001596481743 1192693773 /nfs/dbraw/zinc/69/37/73/1192693773.db2.gz FLODEAQQBXOEFC-UHFFFAOYSA-N 0 0 312.413 3.326 20 10 DGCDRN Cc1cc(CNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)c(C)n1-c1ccccc1 ZINC001596491199 1192694423 /nfs/dbraw/zinc/69/44/23/1192694423.db2.gz SYNWHEZHZLLBHY-GUDVDZBRSA-N 0 0 324.424 3.135 20 10 DGCDRN CCc1cccc2c(CC(=O)NCc3c(O)cccc3O)c[nH]c21 ZINC001597574763 1192739080 /nfs/dbraw/zinc/73/90/80/1192739080.db2.gz SBCWTLVRNYAKHP-UHFFFAOYSA-N 0 0 324.380 3.000 20 10 DGCDRN Cc1cccc(O)c1C(=O)NCc1ccc2c(c1)CCCN2C ZINC001597856804 1192751772 /nfs/dbraw/zinc/75/17/72/1192751772.db2.gz YZIJMIBLLISFKR-UHFFFAOYSA-N 0 0 310.397 3.013 20 10 DGCDRN Cc1cc(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)ccc1F ZINC001600202892 1192806333 /nfs/dbraw/zinc/80/63/33/1192806333.db2.gz BEFPJISQFBHVSC-LLVKDONJSA-N 0 0 303.333 3.389 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1ccc(C(=O)[O-])o1 ZINC001600236182 1192817091 /nfs/dbraw/zinc/81/70/91/1192817091.db2.gz CFPOBPQZBFCGNO-ZDUSSCGKSA-N 0 0 316.401 3.073 20 10 DGCDRN Cc1cc(O)c(C[NH2+][C@H](C(=O)[O-])c2ccccc2F)cc1C ZINC001600285873 1192826814 /nfs/dbraw/zinc/82/68/14/1192826814.db2.gz HYXZGYFVMRCMAF-INIZCTEOSA-N 0 0 303.333 3.064 20 10 DGCDRN CCOc1ccc(C)cc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001179687587 1177804058 /nfs/dbraw/zinc/80/40/58/1177804058.db2.gz ZONBQKQKRKDOEY-RMKNXTFCSA-N 0 0 313.353 3.457 20 10 DGCDRN CO[C@H](C)CC(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001181607938 1177814314 /nfs/dbraw/zinc/81/43/14/1177814314.db2.gz OWILBAOUTDYHIC-SJKOYZFVSA-N 0 0 305.418 3.174 20 10 DGCDRN Cc1ccc(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)c(Cl)n1 ZINC001600419181 1192849503 /nfs/dbraw/zinc/84/95/03/1192849503.db2.gz LODOIYPHZMIKJZ-JTQLQIEISA-N 0 0 320.776 3.298 20 10 DGCDRN Cc1ccc(C[NH2+][C@@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])c(O)c1 ZINC001600419872 1192850461 /nfs/dbraw/zinc/85/04/61/1192850461.db2.gz QLTGRVVSDVALJB-WMLDXEAASA-N 0 0 313.397 3.122 20 10 DGCDRN Cc1ccc(O)c(C[NH2+][C@@H](C(=O)[O-])c2ccc(F)c(C)c2)c1 ZINC001600464732 1192858283 /nfs/dbraw/zinc/85/82/83/1192858283.db2.gz JROMMPNMDRXDBD-MRXNPFEDSA-N 0 0 303.333 3.064 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCC[C@H]1CCCC1(F)F ZINC001331088762 1178132224 /nfs/dbraw/zinc/13/22/24/1178132224.db2.gz AODLHXZAYKZREU-FVOPLDGLSA-N 0 0 312.312 3.480 20 10 DGCDRN Cn1c2cc(NCc3ccc(N4CCCC4)cc3)ccc2[nH]c1=O ZINC001331256337 1178165857 /nfs/dbraw/zinc/16/58/57/1178165857.db2.gz DEUNRPMNZMVFEB-UHFFFAOYSA-N 0 0 322.412 3.491 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2cc(C(C)(C)C)nn2C)c1 ZINC001331696612 1178271955 /nfs/dbraw/zinc/27/19/55/1178271955.db2.gz IQXWZEPFUBWTMG-UHFFFAOYSA-N 0 0 316.405 3.053 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H]2CC[C@@H]2C)cc1 ZINC001331730040 1178274842 /nfs/dbraw/zinc/27/48/42/1178274842.db2.gz IHAJKSDPJGJLHN-ORAYPTAESA-N 0 0 324.424 3.364 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1CCC[C@H](F)C1)c1ccc(N(C)C)cc1 ZINC001332095099 1178357452 /nfs/dbraw/zinc/35/74/52/1178357452.db2.gz YOPYUIMBIGBENM-QEJZJMRPSA-N 0 0 307.413 3.394 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c[nH]c(C2CC2)n1 ZINC001332255186 1178405878 /nfs/dbraw/zinc/40/58/78/1178405878.db2.gz QPEQTRABMPWTEB-UHFFFAOYSA-N 0 0 312.417 3.015 20 10 DGCDRN CCn1ccnc1CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001332869280 1178511536 /nfs/dbraw/zinc/51/15/36/1178511536.db2.gz MBZOVSGCFXVOQZ-UHFFFAOYSA-N 0 0 322.412 3.241 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)NC1CC2(CC2(F)F)C1 ZINC001333615175 1178638453 /nfs/dbraw/zinc/63/84/53/1178638453.db2.gz JJNYNLYDUKQVMJ-UHFFFAOYSA-N 0 0 316.735 3.033 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCC[C@H]1CCC(F)(F)C1 ZINC001333619989 1178640248 /nfs/dbraw/zinc/64/02/48/1178640248.db2.gz YUBIKQGIUDZXFC-DTRQGZQOSA-N 0 0 311.328 3.053 20 10 DGCDRN CC(C)(NC(=O)NCc1cccc(Cl)c1O)C(F)(F)F ZINC001334450504 1178764712 /nfs/dbraw/zinc/76/47/12/1178764712.db2.gz ONNCUSZTLKHLFY-UHFFFAOYSA-N 0 0 310.703 3.186 20 10 DGCDRN O=C(C[C@@H]1CC[C@H](C2CC2)O1)Nc1c2nonc2ccc1Cl ZINC001335287885 1178885138 /nfs/dbraw/zinc/88/51/38/1178885138.db2.gz CVFPZSIFVLVMSO-JOYOIKCWSA-N 0 0 321.764 3.162 20 10 DGCDRN C[C@H](CNC(=O)NCc1ccc(N)cc1)Cc1cccs1 ZINC001335515991 1178924791 /nfs/dbraw/zinc/92/47/91/1178924791.db2.gz YXQMXYXBXJQYID-LBPRGKRZSA-N 0 0 303.431 3.008 20 10 DGCDRN Nc1ccc(CC[NH2+][C@H]2CCC[C@H](CCCC(=O)[O-])C2)cc1 ZINC001601216368 1192922034 /nfs/dbraw/zinc/92/20/34/1192922034.db2.gz YEYJHNMHWNHNDR-WBVHZDCISA-N 0 0 304.434 3.215 20 10 DGCDRN Nc1ccc(CC[NH2+][C@@H]2CCC[C@@H](CCCC(=O)[O-])C2)cc1 ZINC001601216365 1192922145 /nfs/dbraw/zinc/92/21/45/1192922145.db2.gz YEYJHNMHWNHNDR-DOTOQJQBSA-N 0 0 304.434 3.215 20 10 DGCDRN Oc1cccc(Cl)c1CNc1cnn(Cc2cccnc2)c1 ZINC001341867403 1179073425 /nfs/dbraw/zinc/07/34/25/1179073425.db2.gz DSLMIVMZMWSPPK-UHFFFAOYSA-N 0 0 314.776 3.298 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1CCC(CCF)CC1 ZINC001342569730 1179154660 /nfs/dbraw/zinc/15/46/60/1179154660.db2.gz OQIQKDFPYYSDSW-UHFFFAOYSA-N 0 0 324.425 3.308 20 10 DGCDRN COc1ccc(N2CCN(c3nc4cccc(C)c4o3)CC2)cc1 ZINC001344112645 1179380913 /nfs/dbraw/zinc/38/09/13/1179380913.db2.gz VYFSKXGMXOBKDK-UHFFFAOYSA-N 0 0 323.396 3.471 20 10 DGCDRN CC(C)Cn1c(C2SC=CC2=O)nnc1N1CC[C@H](C)C1 ZINC001344502308 1179442869 /nfs/dbraw/zinc/44/28/69/1179442869.db2.gz HLBLIFLCXCKBOB-NSHDSACASA-N 0 0 306.435 3.214 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1[C@@H](C)C1(F)F ZINC001345650901 1179587798 /nfs/dbraw/zinc/58/77/98/1179587798.db2.gz BHNFCSLSJLQESC-DOMZBBRYSA-N 0 0 310.388 3.391 20 10 DGCDRN CCC(CC)[C@H]1C[C@H](NC(=O)NCc2ccc(N)cc2)CCO1 ZINC001346406532 1179696029 /nfs/dbraw/zinc/69/60/29/1179696029.db2.gz XVKZAZIEALRNFR-IAGOWNOFSA-N 0 0 319.449 3.052 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)CCc1cccc(O)c1 ZINC001346421701 1179698337 /nfs/dbraw/zinc/69/83/37/1179698337.db2.gz UPOMPAGCFNFUFO-UHFFFAOYSA-N 0 0 313.397 3.469 20 10 DGCDRN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)NCc1ccc(N)cc1 ZINC001346738264 1179741196 /nfs/dbraw/zinc/74/11/96/1179741196.db2.gz FSZDHQRVCSNAEQ-RDTXWAMCSA-N 0 0 309.413 3.356 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)c1csc(C2CC2)n1 ZINC001346940915 1179763342 /nfs/dbraw/zinc/76/33/42/1179763342.db2.gz LGRAAJDYCUSNIP-UHFFFAOYSA-N 0 0 320.761 3.462 20 10 DGCDRN C[C@@H](CCc1cccc(F)c1)C(=O)NCc1cccc(O)c1O ZINC001347234882 1179786290 /nfs/dbraw/zinc/78/62/90/1179786290.db2.gz RKTNHTQWCXYPCG-LBPRGKRZSA-N 0 0 317.360 3.122 20 10 DGCDRN CCc1[nH]nc(NCc2ccc(Br)cc2O)c1C ZINC001347391393 1179802595 /nfs/dbraw/zinc/80/25/95/1179802595.db2.gz LUWNKINTJRZMSN-UHFFFAOYSA-N 0 0 310.195 3.361 20 10 DGCDRN COc1ccc(N2CC[C@@H](Nc3ncc4ccccc4n3)C2)cc1 ZINC001347920622 1179821742 /nfs/dbraw/zinc/82/17/42/1179821742.db2.gz WSWXMTTYLBHVLP-OAHLLOKOSA-N 0 0 320.396 3.329 20 10 DGCDRN O=C(NCc1cccc(O)c1O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC001349079064 1179873671 /nfs/dbraw/zinc/87/36/71/1179873671.db2.gz JYYMKLNKWFRCMZ-GHMZBOCLSA-N 0 0 317.307 3.083 20 10 DGCDRN Cc1ccc(CC(=O)N(C)Cc2ccc(N3CCCC3)cc2)o1 ZINC001349118941 1179875423 /nfs/dbraw/zinc/87/54/23/1179875423.db2.gz OQQYTGSMFIOPNV-UHFFFAOYSA-N 0 0 312.413 3.389 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2oc(C3CC3)nc2C(F)F)c1 ZINC001350112316 1180018094 /nfs/dbraw/zinc/01/80/94/1180018094.db2.gz ZGDHQXPWOPMAOK-UHFFFAOYSA-N 0 0 322.311 3.434 20 10 DGCDRN OC[C@@H]1Cc2ccccc2N1Cc1ccc(N2CCCC2)cc1 ZINC001350282490 1180044831 /nfs/dbraw/zinc/04/48/31/1180044831.db2.gz JCFNONSVRBPMJH-IBGZPJMESA-N 0 0 308.425 3.210 20 10 DGCDRN CC[C@@H](C)OCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001351162708 1180181947 /nfs/dbraw/zinc/18/19/47/1180181947.db2.gz JGDSBDCYYIASNT-OAHLLOKOSA-N 0 0 304.434 3.060 20 10 DGCDRN C[C@@H]1C[C@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)[C@H](C)O1 ZINC001351674696 1180236310 /nfs/dbraw/zinc/23/63/10/1180236310.db2.gz XNOKYHPUIBQGOS-VKJFTORMSA-N 0 0 316.445 3.059 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@]1(C)CC1(F)F ZINC001352615065 1180369855 /nfs/dbraw/zinc/36/98/55/1180369855.db2.gz KRNHMMCTAGLNKK-MRXNPFEDSA-N 0 0 308.372 3.291 20 10 DGCDRN CCCCNC(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC001353150132 1180475632 /nfs/dbraw/zinc/47/56/32/1180475632.db2.gz LWMFPXOJBKTFRO-UHFFFAOYSA-N 0 0 314.429 3.445 20 10 DGCDRN CC[C@H](C)CNC(=S)NCc1ccc(N2CCCC2)cc1 ZINC001200265218 1180494070 /nfs/dbraw/zinc/49/40/70/1180494070.db2.gz LUPHXDYGKJKYLH-AWEZNQCLSA-N 0 0 305.491 3.297 20 10 DGCDRN C[C@H](NC(=O)NC[C@@H]1CCC2(CCC2)CO1)c1ccccc1O ZINC001353383765 1180544588 /nfs/dbraw/zinc/54/45/88/1180544588.db2.gz GSZRCQDUUXAHKX-KBPBESRZSA-N 0 0 318.417 3.102 20 10 DGCDRN CC(C)SCC[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001603960946 1193040519 /nfs/dbraw/zinc/04/05/19/1193040519.db2.gz RKOXYLFFHWIIJF-UHFFFAOYSA-N 0 0 324.421 3.247 20 10 DGCDRN CC[C@@H](C)NC(=S)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001200481857 1180672470 /nfs/dbraw/zinc/67/24/70/1180672470.db2.gz JQWDQFZNPSHMCC-CQSZACIVSA-N 0 0 305.491 3.392 20 10 DGCDRN Cc1ncccc1/C=C/C(=O)N1C[C@@H](C)C(=O)Nc2ccccc21 ZINC001353942692 1180690189 /nfs/dbraw/zinc/69/01/89/1180690189.db2.gz PCTUHUFRDQRZFF-WTNCMQEWSA-N 0 0 321.380 3.025 20 10 DGCDRN Fc1ccc(NC(=S)NCc2cccc(Cl)n2)cc1F ZINC001200701958 1180836223 /nfs/dbraw/zinc/83/62/23/1180836223.db2.gz CVPHMZUCZRPGOQ-UHFFFAOYSA-N 0 0 313.760 3.500 20 10 DGCDRN Oc1cc2c(cc1O)CN(C(=S)Nc1ccccc1)CCC2 ZINC001200837161 1180954692 /nfs/dbraw/zinc/95/46/92/1180954692.db2.gz REJRSEKCLPEUEY-UHFFFAOYSA-N 0 0 314.410 3.243 20 10 DGCDRN S=C(NCc1cccc(OC2CCC2)n1)Nc1ccccc1 ZINC001200849584 1180969163 /nfs/dbraw/zinc/96/91/63/1180969163.db2.gz VQVWQGZCLQFEPK-UHFFFAOYSA-N 0 0 313.426 3.500 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)c1cc(C(=O)[O-])ccc1O ZINC001604326291 1193065473 /nfs/dbraw/zinc/06/54/73/1193065473.db2.gz GNKJTAZBQXQKSU-MLGOLLRUSA-N 0 0 311.381 3.299 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(C(=O)[O-])cs1)c1ccc(N(C)C)cc1 ZINC001604343119 1193067914 /nfs/dbraw/zinc/06/79/14/1193067914.db2.gz XNFBUMZGHSDHMY-LLVKDONJSA-N 0 0 304.415 3.363 20 10 DGCDRN CO[C@H]1CCC[C@@H]1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001356267182 1181166686 /nfs/dbraw/zinc/16/66/86/1181166686.db2.gz NMLCENKTTDDLSD-ROUUACIJSA-N 0 0 316.445 3.060 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])[C@H]1C ZINC001604753561 1193092019 /nfs/dbraw/zinc/09/20/19/1193092019.db2.gz DFZPWINLUVAGAX-MNOVXSKESA-N 0 0 304.365 3.246 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCOC(C)(C)C1 ZINC001358033795 1181447882 /nfs/dbraw/zinc/44/78/82/1181447882.db2.gz XZGJLCBJUZVPKP-AWEZNQCLSA-N 0 0 305.418 3.336 20 10 DGCDRN C[C@H](NC(=O)[C@@H]1CCOC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001358148532 1181460706 /nfs/dbraw/zinc/46/07/06/1181460706.db2.gz QNMMVVOPAUPCFD-DZGCQCFKSA-N 0 0 304.434 3.135 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC001360075681 1181615354 /nfs/dbraw/zinc/61/53/54/1181615354.db2.gz OGDQXXJBLCJTDA-AWEZNQCLSA-N 0 0 324.424 3.314 20 10 DGCDRN Cc1cc(C)c(CC(=O)NCc2ccc(N(C)C)c(F)c2)s1 ZINC001434915697 1181778485 /nfs/dbraw/zinc/77/84/85/1181778485.db2.gz VWNIJGFCQLOPKY-UHFFFAOYSA-N 0 0 320.433 3.429 20 10 DGCDRN CCO[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)C1CCCC1 ZINC001434913864 1181778581 /nfs/dbraw/zinc/77/85/81/1181778581.db2.gz CNHSUDVEHGPITN-KRWDZBQOSA-N 0 0 322.424 3.103 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]2C2CCCC2)cc1F ZINC001434913434 1181778591 /nfs/dbraw/zinc/77/85/91/1181778591.db2.gz AIYOPOLTWQIVGV-LSDHHAIUSA-N 0 0 304.409 3.334 20 10 DGCDRN Cn1cnc(/C=C/C(=O)N2CCCCc3c(Cl)cccc32)c1 ZINC001435834880 1181848180 /nfs/dbraw/zinc/84/81/80/1181848180.db2.gz MBHIARINJLHBHO-CMDGGOBGSA-N 0 0 315.804 3.456 20 10 DGCDRN CC(=O)Nc1ccc(Cl)cc1NC(=O)C1=CC(=O)CS1 ZINC001442376930 1182081798 /nfs/dbraw/zinc/08/17/98/1182081798.db2.gz KITXDSMHQLJCJN-UHFFFAOYSA-N 0 0 310.762 3.318 20 10 DGCDRN Nc1ccc(OS(=O)(=O)c2ccc(C(F)(F)F)s2)cc1 ZINC001580449281 1182115491 /nfs/dbraw/zinc/11/54/91/1182115491.db2.gz GKEOIQJNSWGUPH-UHFFFAOYSA-N 0 0 323.317 3.117 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ccnc(-c2ccco2)c1 ZINC001445650972 1182152619 /nfs/dbraw/zinc/15/26/19/1182152619.db2.gz OWRSMNIQKDAFQH-UHFFFAOYSA-N 0 0 308.337 3.319 20 10 DGCDRN CSc1ccc(/C=C/C(=O)NCc2ccc(O)c(O)c2)s1 ZINC001445899929 1182157469 /nfs/dbraw/zinc/15/74/69/1182157469.db2.gz HSQHCUZPURJTHT-ZZXKWVIFSA-N 0 0 321.423 3.211 20 10 DGCDRN O=C(NCc1ccccc1O)c1ccccc1NCC(F)(F)F ZINC001445969207 1182159069 /nfs/dbraw/zinc/15/90/69/1182159069.db2.gz GYTNRWCHJZQJKT-UHFFFAOYSA-N 0 0 324.302 3.296 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1C[C@H](O)C1(C)C ZINC001448027973 1182200599 /nfs/dbraw/zinc/20/05/99/1182200599.db2.gz NRELICAQZBMGBS-KBPBESRZSA-N 0 0 318.442 3.045 20 10 DGCDRN CCN(Cc1occc1C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001451629581 1182272703 /nfs/dbraw/zinc/27/27/03/1182272703.db2.gz DFENQUWCOZTVEW-FNORWQNLSA-N 0 0 301.342 3.061 20 10 DGCDRN COCc1cccc(C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001451957234 1182277691 /nfs/dbraw/zinc/27/76/91/1182277691.db2.gz RPLDGVHKYUXZNL-UHFFFAOYSA-N 0 0 322.364 3.017 20 10 DGCDRN Cc1ccc2c(c1)C=C(C(=O)NCc1cc(C)ccc1O)CO2 ZINC001453649949 1182321402 /nfs/dbraw/zinc/32/14/02/1182321402.db2.gz APLUFESXVGMYIS-UHFFFAOYSA-N 0 0 309.365 3.101 20 10 DGCDRN COc1ccc2[nH]c(C(=O)NCc3cc(C)ccc3O)cc2c1 ZINC001453648497 1182321611 /nfs/dbraw/zinc/32/16/11/1182321611.db2.gz JHSWODDTEFGYCI-UHFFFAOYSA-N 0 0 310.353 3.121 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2sccc2OC(F)F)c1 ZINC001453646790 1182321834 /nfs/dbraw/zinc/32/18/34/1182321834.db2.gz BOYSWCHBGAUJJE-UHFFFAOYSA-N 0 0 313.325 3.294 20 10 DGCDRN CO[C@H]1C[C@H](NC(=O)c2cc(C)n(-c3ccccc3C)c2C)C1 ZINC001454406838 1182341300 /nfs/dbraw/zinc/34/13/00/1182341300.db2.gz BFLXZLMPRMZNRS-WKILWMFISA-N 0 0 312.413 3.310 20 10 DGCDRN C[C@H](NC(=O)c1ccnn1-c1ccccc1)c1ccccc1O ZINC001454812484 1182353698 /nfs/dbraw/zinc/35/36/98/1182353698.db2.gz AISWPQMXAJYSIW-ZDUSSCGKSA-N 0 0 307.353 3.069 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001455356165 1182366869 /nfs/dbraw/zinc/36/68/69/1182366869.db2.gz XKQVVJVZCNOCQS-CVEARBPZSA-N 0 0 315.344 3.047 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cccc2scnc21 ZINC001456027107 1182393800 /nfs/dbraw/zinc/39/38/00/1182393800.db2.gz CSHBNMOENSKKCW-UHFFFAOYSA-N 0 0 302.330 3.071 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cc2c(s1)CCCC2 ZINC001456102813 1182398036 /nfs/dbraw/zinc/39/80/36/1182398036.db2.gz UUWRRDDLGDWJOR-UHFFFAOYSA-N 0 0 305.374 3.402 20 10 DGCDRN Cc1ccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)cc1F ZINC001456134586 1182398772 /nfs/dbraw/zinc/39/87/72/1182398772.db2.gz AAWGYYVGDMFSDX-UHFFFAOYSA-N 0 0 314.320 3.227 20 10 DGCDRN CSc1ccc(Cl)c(C(=O)NCc2c(O)cccc2O)c1 ZINC001456236325 1182407629 /nfs/dbraw/zinc/40/76/29/1182407629.db2.gz RJHUIUTVPRASTA-UHFFFAOYSA-N 0 0 323.801 3.403 20 10 DGCDRN CCN(C(=O)/C(C)=C/c1cccnc1)c1ccccc1C(=O)OC ZINC001456255452 1182408124 /nfs/dbraw/zinc/40/81/24/1182408124.db2.gz WHFJDZNXVYJCEU-WYMLVPIESA-N 0 0 324.380 3.325 20 10 DGCDRN CN(C(=O)/C=C\c1cn(C)cn1)c1cc(Cl)cc(Cl)c1 ZINC001456300281 1182408931 /nfs/dbraw/zinc/40/89/31/1182408931.db2.gz PICODYNZWDJQQQ-ARJAWSKDSA-N 0 0 310.184 3.403 20 10 DGCDRN Cc1ccc2occ(CC(=O)NCc3c(O)cccc3O)c2c1 ZINC001456326993 1182409703 /nfs/dbraw/zinc/40/97/03/1182409703.db2.gz ZDGZBILWHLAODL-UHFFFAOYSA-N 0 0 311.337 3.011 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cc(F)c(O)cc1Cl ZINC001456603899 1182425152 /nfs/dbraw/zinc/42/51/52/1182425152.db2.gz FRMYWGPMLJWFHP-RQOWECAXSA-N 0 0 323.707 3.248 20 10 DGCDRN O=C(Nc1ccc(F)cc1O)c1cc2cc(O)c(O)cc2s1 ZINC001457714343 1182477070 /nfs/dbraw/zinc/47/70/70/1182477070.db2.gz IKJBHVXYHAVNDM-UHFFFAOYSA-N 0 0 319.313 3.410 20 10 DGCDRN Cc1ccc(CN(C)C(=O)c2c(F)ccc(O)c2O)cc1C ZINC001457858100 1182483710 /nfs/dbraw/zinc/48/37/10/1182483710.db2.gz HBTSENWCPCDIMC-UHFFFAOYSA-N 0 0 303.333 3.126 20 10 DGCDRN Cc1cccc(C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC001459180519 1182572014 /nfs/dbraw/zinc/57/20/14/1182572014.db2.gz ZWYZNCKLDOXKNU-AWEZNQCLSA-N 0 0 310.397 3.121 20 10 DGCDRN COc1ccc(N(C)Cc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC001460334035 1182678606 /nfs/dbraw/zinc/67/86/06/1182678606.db2.gz FWSXOPDLJUKWBP-UHFFFAOYSA-N 0 0 302.330 3.248 20 10 DGCDRN CN(C)[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])C1CCCCC1 ZINC001461050029 1182761516 /nfs/dbraw/zinc/76/15/16/1182761516.db2.gz JQZLKQIXHOOXHR-MRXNPFEDSA-N 0 0 312.404 3.271 20 10 DGCDRN Oc1c(F)cc(F)cc1CNc1ccc(-n2ccnc2)cc1 ZINC001461074917 1182763641 /nfs/dbraw/zinc/76/36/41/1182763641.db2.gz CVGQJOJYQGCUNX-UHFFFAOYSA-N 0 0 301.296 3.468 20 10 DGCDRN CC[C@H](C)[C@H](C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001461336853 1182795739 /nfs/dbraw/zinc/79/57/39/1182795739.db2.gz IULAGHYVSXKDHP-GJZGRUSLSA-N 0 0 306.450 3.272 20 10 DGCDRN COc1cc(C)ccc1CN1CCOc2cc(N(C)C)ccc21 ZINC001462052035 1182900775 /nfs/dbraw/zinc/90/07/75/1182900775.db2.gz QIEGGBWREXEXQC-UHFFFAOYSA-N 0 0 312.413 3.469 20 10 DGCDRN COc1cc(C)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c(O)c1 ZINC001462169554 1182917929 /nfs/dbraw/zinc/91/79/29/1182917929.db2.gz KNCHRXVJWNQNKR-GWCFXTLKSA-N 0 0 303.324 3.482 20 10 DGCDRN Cc1nc2c(cccc2CC[NH2+]Cc2cccc(F)c2[O-])o1 ZINC001462574153 1182971452 /nfs/dbraw/zinc/97/14/52/1182971452.db2.gz KUHRQWNNALVHSW-UHFFFAOYSA-N 0 0 300.333 3.313 20 10 DGCDRN [O-]c1c(F)cccc1C[NH2+]CCc1ccnn1-c1ccccc1 ZINC001462584506 1182972729 /nfs/dbraw/zinc/97/27/29/1182972729.db2.gz FSJFZAPPMGWXHP-UHFFFAOYSA-N 0 0 311.360 3.049 20 10 DGCDRN Cc1ccccc1CN(C(=O)Cc1ccc(O)c(O)c1)C1CC1 ZINC001464058457 1183067627 /nfs/dbraw/zinc/06/76/27/1183067627.db2.gz QFFXDTGHNKPUCZ-UHFFFAOYSA-N 0 0 311.381 3.140 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3onc4ccccc43)ccc21 ZINC001464521157 1183097322 /nfs/dbraw/zinc/09/73/22/1183097322.db2.gz QQZSLUZEXKCMFO-UHFFFAOYSA-N 0 0 321.380 3.140 20 10 DGCDRN CCSc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001465211440 1183136845 /nfs/dbraw/zinc/13/68/45/1183136845.db2.gz IFAKCDNWLFOAHK-UHFFFAOYSA-N 0 0 303.383 3.391 20 10 DGCDRN Cc1ccc(NC(=O)N[C@H](C)c2ccccc2O)c2n[nH]cc21 ZINC001465572246 1183157708 /nfs/dbraw/zinc/15/77/08/1183157708.db2.gz NPLIOQZKLDRROV-LLVKDONJSA-N 0 0 310.357 3.460 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Cc1nsc2ccccc21 ZINC001465843005 1183172570 /nfs/dbraw/zinc/17/25/70/1183172570.db2.gz MGYQANRBVRQRBM-UHFFFAOYSA-N 0 0 312.394 3.203 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1nncc2ccccc21 ZINC001465845770 1183172575 /nfs/dbraw/zinc/17/25/75/1183172575.db2.gz HAVLMAWNOLRPLV-UHFFFAOYSA-N 0 0 321.380 3.388 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCc3c2cccc3F)cc1 ZINC001466719667 1183221056 /nfs/dbraw/zinc/22/10/56/1183221056.db2.gz HNXCWEDNNQCJJV-UHFFFAOYSA-N 0 0 312.304 3.191 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\C=C(Cl)Cl ZINC001466791156 1183224446 /nfs/dbraw/zinc/22/44/46/1183224446.db2.gz PREBOVRNNWKJCB-FIFYQCSRSA-N 0 0 316.184 3.020 20 10 DGCDRN CC1(C)CCN(C(=O)Cc2ccc(O)c(O)c2)c2ccccc21 ZINC001468607156 1183346535 /nfs/dbraw/zinc/34/65/35/1183346535.db2.gz FQELUHSSCHFBQZ-UHFFFAOYSA-N 0 0 311.381 3.355 20 10 DGCDRN CCc1ccc2occ(C(=O)NCc3ccc(O)cc3O)c2c1 ZINC001469158555 1183387728 /nfs/dbraw/zinc/38/77/28/1183387728.db2.gz BATRJZUGLYRANP-UHFFFAOYSA-N 0 0 311.337 3.336 20 10 DGCDRN CCC[C@H](CC)C(=O)N(CC(=O)OCC)Cc1ccccc1O ZINC001469231373 1183392778 /nfs/dbraw/zinc/39/27/78/1183392778.db2.gz SBNQXUCOWRXXJL-AWEZNQCLSA-N 0 0 321.417 3.110 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)/C=C\c2ccc(Cl)nc2)c1 ZINC001470257715 1183473655 /nfs/dbraw/zinc/47/36/55/1183473655.db2.gz LBWCNSDACDWAKX-DAXSKMNVSA-N 0 0 302.761 3.079 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccc(Cn3cccc3)cc2)c1 ZINC001470255461 1183473699 /nfs/dbraw/zinc/47/36/99/1183473699.db2.gz VVTVQXXZNSIVGJ-UHFFFAOYSA-N 0 0 320.392 3.480 20 10 DGCDRN O=C(NCc1ccc2occc2c1)N1Cc2cccc(O)c2C1 ZINC001470743365 1183511124 /nfs/dbraw/zinc/51/11/24/1183511124.db2.gz NNWSFSJTWUPEFK-UHFFFAOYSA-N 0 0 308.337 3.364 20 10 DGCDRN CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)C1 ZINC001607391352 1193226883 /nfs/dbraw/zinc/22/68/83/1193226883.db2.gz JZJDYAGZVOEHSL-WCFLWFBJSA-N 0 0 309.431 3.415 20 10 DGCDRN Cc1cc(CNC(=O)c2coc(CO)c2)c(C)n1-c1ccccc1 ZINC001471016532 1183532587 /nfs/dbraw/zinc/53/25/87/1183532587.db2.gz ASLOVRJEKWCNCZ-UHFFFAOYSA-N 0 0 324.380 3.109 20 10 DGCDRN C[C@H](NC(=O)c1ccc(Cn2cccn2)cc1)c1ccccc1O ZINC001471194649 1183545577 /nfs/dbraw/zinc/54/55/77/1183545577.db2.gz NRLKYIGEIJVWEA-AWEZNQCLSA-N 0 0 321.380 3.128 20 10 DGCDRN C[C@H](NC(=O)[C@H](O)c1ccc(Cl)cc1F)c1ccccc1O ZINC001471194192 1183545688 /nfs/dbraw/zinc/54/56/88/1183545688.db2.gz FKSIJACMCPCPRU-BJOHPYRUSA-N 0 0 323.751 3.096 20 10 DGCDRN C[C@@H](C(=O)NCc1cc(O)ccc1O)c1ccc(Cl)s1 ZINC001471660808 1183579940 /nfs/dbraw/zinc/57/99/40/1183579940.db2.gz AEWWXYRAPLRPQE-MRVPVSSYSA-N 0 0 311.790 3.233 20 10 DGCDRN CC(C)(C(=O)NCc1cc(O)ccc1O)c1cccc(Cl)c1 ZINC001471660816 1183580156 /nfs/dbraw/zinc/58/01/56/1183580156.db2.gz AKUZLTWVPBZRJH-UHFFFAOYSA-N 0 0 319.788 3.345 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1cc2c(cccc2F)s1 ZINC001471661536 1183580168 /nfs/dbraw/zinc/58/01/68/1183580168.db2.gz RUAKAJPJWXQIKZ-UHFFFAOYSA-N 0 0 317.341 3.382 20 10 DGCDRN Cc1cc(C(=O)NCc2cccc(O)c2O)c(C)cc1Cl ZINC001471642247 1183580611 /nfs/dbraw/zinc/58/06/11/1183580611.db2.gz PCKMPOGGAQOEAO-UHFFFAOYSA-N 0 0 305.761 3.298 20 10 DGCDRN CSc1ccc(Cl)c(C(=O)NCc2cc(O)ccc2O)c1 ZINC001471661255 1183580621 /nfs/dbraw/zinc/58/06/21/1183580621.db2.gz VPSWQUIIARXJFV-UHFFFAOYSA-N 0 0 323.801 3.403 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1ccsc1C(F)(F)F ZINC001471662131 1183580745 /nfs/dbraw/zinc/58/07/45/1183580745.db2.gz PGCJVSQRROMKQM-UHFFFAOYSA-N 0 0 317.288 3.108 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1ccc(-c2ccccc2)[nH]1 ZINC001471642286 1183580821 /nfs/dbraw/zinc/58/08/21/1183580821.db2.gz RDHRJDZUEPXSJI-UHFFFAOYSA-N 0 0 308.337 3.023 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cccc2cccc(O)c21 ZINC001471975648 1183604401 /nfs/dbraw/zinc/60/44/01/1183604401.db2.gz BJHGATWCXJMIDV-UHFFFAOYSA-N 0 0 311.312 3.320 20 10 DGCDRN Cc1cccc(CSCC(=O)NCc2c(O)cccc2F)c1 ZINC001471974746 1183604502 /nfs/dbraw/zinc/60/45/02/1183604502.db2.gz INKSGQMDYPHFLG-UHFFFAOYSA-N 0 0 319.401 3.389 20 10 DGCDRN O=C(C[C@@H]1CCCc2ccccc21)NCc1c(O)cccc1O ZINC001472063017 1183612004 /nfs/dbraw/zinc/61/20/04/1183612004.db2.gz BZEXPMQTSMQDSJ-AWEZNQCLSA-N 0 0 311.381 3.224 20 10 DGCDRN Cc1cc(C(=O)NCc2c(O)cccc2O)c(C)n1C(C)C ZINC001472061736 1183612238 /nfs/dbraw/zinc/61/22/38/1183612238.db2.gz WWCWHRDDIWCRLE-UHFFFAOYSA-N 0 0 302.374 3.027 20 10 DGCDRN Cc1[nH]c(C(=O)NCc2c(O)ccc3ccccc32)c(C)c1C=O ZINC001472084939 1183614384 /nfs/dbraw/zinc/61/43/84/1183614384.db2.gz HVBGZXIRFLYZAT-UHFFFAOYSA-N 0 0 322.364 3.233 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2CCc1ccc(F)c(F)c1 ZINC001473344027 1183746570 /nfs/dbraw/zinc/74/65/70/1183746570.db2.gz GCQCAOVYGURWSC-UHFFFAOYSA-N 0 0 318.367 3.472 20 10 DGCDRN Cc1cc([C@@H]([NH2+]Cc2cc(Cl)ccc2O)C(=O)[O-])ccc1F ZINC001607612406 1193240853 /nfs/dbraw/zinc/24/08/53/1193240853.db2.gz NQATUFGLDAHBGD-OAHLLOKOSA-N 0 0 323.751 3.409 20 10 DGCDRN COC(=O)/C(C)=C/CN1C[C@@H](C(C)C)Cc2cc(OC)ccc21 ZINC001473570261 1183775267 /nfs/dbraw/zinc/77/52/67/1183775267.db2.gz ZXNZEQQAMPNMOS-SBNBMVPLSA-N 0 0 317.429 3.449 20 10 DGCDRN CCC(CC)[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])N(C)C ZINC001473925955 1183830456 /nfs/dbraw/zinc/83/04/56/1183830456.db2.gz HTOVOXQGKVGPTH-HNNXBMFYSA-N 0 0 300.393 3.126 20 10 DGCDRN Cc1cc(Cl)cc(C[NH2+][C@]2(C)CCCC[C@@H]2C(=O)[O-])c1O ZINC001607656258 1193246113 /nfs/dbraw/zinc/24/61/13/1193246113.db2.gz VENDQLOVKYZSHF-CZUORRHYSA-N 0 0 311.809 3.477 20 10 DGCDRN Cc1cc(Cl)cc(C[NH2+][C@@]2(C)CCCC[C@H]2C(=O)[O-])c1O ZINC001607656253 1193246345 /nfs/dbraw/zinc/24/63/45/1193246345.db2.gz VENDQLOVKYZSHF-BBRMVZONSA-N 0 0 311.809 3.477 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H]2CCc3ccccc3C2)c1 ZINC001474091587 1183865207 /nfs/dbraw/zinc/86/52/07/1183865207.db2.gz MUQHMZKBDNQABJ-CYBMUJFWSA-N 0 0 312.369 3.195 20 10 DGCDRN Cc1cnnn1-c1ccc(NCc2cc(F)cc(F)c2O)cc1 ZINC001474191524 1183880573 /nfs/dbraw/zinc/88/05/73/1183880573.db2.gz RWCLXDFNAIOSCL-UHFFFAOYSA-N 0 0 316.311 3.172 20 10 DGCDRN Oc1cc(F)c(F)cc1CNc1cccc(-n2cccn2)c1 ZINC001474384870 1183913248 /nfs/dbraw/zinc/91/32/48/1183913248.db2.gz SFQKTEJEPFFKNE-UHFFFAOYSA-N 0 0 301.296 3.468 20 10 DGCDRN COCC[N@H+](Cc1ccccc1)Cc1cc(F)c(F)cc1[O-] ZINC001474410592 1183917236 /nfs/dbraw/zinc/91/72/36/1183917236.db2.gz VECFHVBCKNJUHH-UHFFFAOYSA-N 0 0 307.340 3.319 20 10 DGCDRN COc1ccc(NCc2ccc(Cl)cc2O)cc1NC(N)=O ZINC001474489949 1183929780 /nfs/dbraw/zinc/92/97/80/1183929780.db2.gz NEMWIOILPCZAGZ-UHFFFAOYSA-N 0 0 321.764 3.157 20 10 DGCDRN CCCn1cncc1C[NH2+]Cc1cccc(Br)c1[O-] ZINC001474494943 1183930217 /nfs/dbraw/zinc/93/02/17/1183930217.db2.gz DZOSJHVVNOQBFK-UHFFFAOYSA-N 0 0 324.222 3.051 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1CCCN1C(=O)OC(C)(C)C ZINC001474519241 1183935058 /nfs/dbraw/zinc/93/50/58/1183935058.db2.gz CKQCQBDPOIQXNT-UHFFFAOYSA-N 0 0 319.449 3.419 20 10 DGCDRN C[C@@H](NS(=O)(=O)c1sccc1Cl)c1ccccc1O ZINC001475585676 1184011165 /nfs/dbraw/zinc/01/11/65/1184011165.db2.gz CYMBOZUOTADUBM-MRVPVSSYSA-N 0 0 317.819 3.147 20 10 DGCDRN Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC001607811286 1193259805 /nfs/dbraw/zinc/25/98/05/1193259805.db2.gz OYVNHSDMFYKYSY-ZJUUUORDSA-N 0 0 306.387 3.267 20 10 DGCDRN O=C(NCCCCc1ccccc1)NCc1c(O)cccc1F ZINC001477369790 1184085902 /nfs/dbraw/zinc/08/59/02/1184085902.db2.gz RRKHGJFIGPRBLP-UHFFFAOYSA-N 0 0 316.376 3.353 20 10 DGCDRN CC(C)[C@H]1N(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1(C)C ZINC001477652548 1184103819 /nfs/dbraw/zinc/10/38/19/1184103819.db2.gz MDDUMACTNYPEOI-MRXNPFEDSA-N 0 0 321.440 3.468 20 10 DGCDRN CCC1(NC(=O)NCc2ccc(N(C)C)c(F)c2)CCCC1 ZINC001477651780 1184104172 /nfs/dbraw/zinc/10/41/72/1184104172.db2.gz HXLVDMFTHZWGCY-UHFFFAOYSA-N 0 0 307.413 3.414 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCCC3(CC3)CC2)cc1F ZINC001477653277 1184104262 /nfs/dbraw/zinc/10/42/62/1184104262.db2.gz SNHZOFJXESPELT-UHFFFAOYSA-N 0 0 319.424 3.367 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@@H]2C2CCCCC2)c1 ZINC001478051414 1184126875 /nfs/dbraw/zinc/12/68/75/1184126875.db2.gz ORJUPPIAPIZJRS-CVEARBPZSA-N 0 0 302.418 3.469 20 10 DGCDRN C[C@@H]1CC[C@H]1NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001478604494 1184163857 /nfs/dbraw/zinc/16/38/57/1184163857.db2.gz FBUBIESWYXDCCT-RHSMWYFYSA-N 0 0 301.434 3.227 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)NCC1(CC2CC2)CC1 ZINC001479194269 1184207917 /nfs/dbraw/zinc/20/79/17/1184207917.db2.gz YGSKBVYTEBZNSX-UHFFFAOYSA-N 0 0 308.809 3.425 20 10 DGCDRN O=C([O-])c1cccc2c1CC[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001608940807 1193315095 /nfs/dbraw/zinc/31/50/95/1193315095.db2.gz QCZNUNIYHRXXMX-UHFFFAOYSA-N 0 0 317.772 3.302 20 10 DGCDRN C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001609839045 1193359768 /nfs/dbraw/zinc/35/97/68/1193359768.db2.gz HJHAYZBKHAWMCS-KYJSFNMBSA-N 0 0 316.445 3.266 20 10 DGCDRN CCC(CC)[C@@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)N(C)C ZINC001609916447 1193364598 /nfs/dbraw/zinc/36/45/98/1193364598.db2.gz AGAGKIWBMQLYJT-BLLLJJGKSA-N 0 0 322.449 3.107 20 10 DGCDRN COCc1cccc(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)c1 ZINC001610272423 1193380868 /nfs/dbraw/zinc/38/08/68/1193380868.db2.gz OWUNKQQZHOABPL-LBPRGKRZSA-N 0 0 315.369 3.088 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cncc(F)c2Cl)c1 ZINC001610393173 1193385943 /nfs/dbraw/zinc/38/59/43/1193385943.db2.gz TUWYQNRUNWNSMC-MRVPVSSYSA-N 0 0 324.739 3.079 20 10 DGCDRN Cc1cc(C[NH2+]C2(CC(=O)[O-])CC2)ccc1N1CCCCC1 ZINC001610462378 1193391056 /nfs/dbraw/zinc/39/10/56/1193391056.db2.gz ZZUPTKVVWNGAOP-UHFFFAOYSA-N 0 0 302.418 3.082 20 10 DGCDRN Cc1nnc(N(C)Cc2ccccc2O)n1CC1CC(C)(C)C1 ZINC001511779221 1186634462 /nfs/dbraw/zinc/63/44/62/1186634462.db2.gz OQXICPGDKICWOO-UHFFFAOYSA-N 0 0 314.433 3.365 20 10 DGCDRN C[C@@H](NC(=O)c1c(F)ccc(O)c1O)[C@@H]1CC2CCC1CC2 ZINC001611538688 1193436700 /nfs/dbraw/zinc/43/67/00/1193436700.db2.gz ZUMWZWZDIQIFGL-YYJSSNLHSA-N 0 0 307.365 3.182 20 10 DGCDRN CCN(C)c1nnc(C(C)C)n1Cc1ccc(N(C)C)c(F)c1 ZINC001515322875 1186753260 /nfs/dbraw/zinc/75/32/60/1186753260.db2.gz CBIFTCARTIHJGG-UHFFFAOYSA-N 0 0 319.428 3.111 20 10 DGCDRN Cc1cc[nH]c1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001516250090 1186780856 /nfs/dbraw/zinc/78/08/56/1186780856.db2.gz ITLNKXISFLZUNY-UHFFFAOYSA-N 0 0 317.352 3.285 20 10 DGCDRN Cc1ccc2nc(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)cn2c1 ZINC001517374880 1186810431 /nfs/dbraw/zinc/81/04/31/1186810431.db2.gz SLZZQCCSQSUDOX-CQSZACIVSA-N 0 0 322.412 3.200 20 10 DGCDRN CC[C@@H]1CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])[C@@H]1C ZINC001612278704 1193449780 /nfs/dbraw/zinc/44/97/80/1193449780.db2.gz IBBGTLHUBKCFSP-QJUZWUIZSA-N 0 0 318.373 3.406 20 10 DGCDRN CC(C)(C)c1ccc(C(=O)NCc2cccc(O)c2O)s1 ZINC001520509715 1186949831 /nfs/dbraw/zinc/94/98/31/1186949831.db2.gz UQKZILOWJRKIBP-UHFFFAOYSA-N 0 0 305.399 3.387 20 10 DGCDRN C[C@@H]1C[C@@H]1c1nnc(N(C)Cc2ccccc2O)n1CC1CC1 ZINC001521095367 1186996338 /nfs/dbraw/zinc/99/63/38/1186996338.db2.gz HICAICPGKCWTOK-DOMZBBRYSA-N 0 0 312.417 3.154 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc3c(o2)CCCC3)c1 ZINC001521266967 1187010463 /nfs/dbraw/zinc/01/04/63/1187010463.db2.gz VLKFRSNDTYEZHI-NSHDSACASA-N 0 0 315.369 3.364 20 10 DGCDRN CN1CCCc2cc(CNC(=O)C(C)(C)C(F)(F)F)ccc21 ZINC001527577546 1187437040 /nfs/dbraw/zinc/43/70/40/1187437040.db2.gz QDNYZIILMNPMCZ-UHFFFAOYSA-N 0 0 314.351 3.274 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cnoc1C(C)C ZINC001527715818 1187444207 /nfs/dbraw/zinc/44/42/07/1187444207.db2.gz LVUSOMLUSSQPMX-UHFFFAOYSA-N 0 0 301.390 3.102 20 10 DGCDRN Cc1ccc(/C=C\C(=O)N2CCOc3c(F)c(F)ccc32)cn1 ZINC001529217635 1187542405 /nfs/dbraw/zinc/54/24/05/1187542405.db2.gz AENWCLBANVIPCP-DAXSKMNVSA-N 0 0 316.307 3.107 20 10 DGCDRN Cc1ncc(/C=C/C(=O)N2CCOc3c(F)ccc(F)c32)s1 ZINC001531417586 1187686808 /nfs/dbraw/zinc/68/68/08/1187686808.db2.gz YQJXZXPKYXMZQO-GORDUTHDSA-N 0 0 322.336 3.169 20 10 DGCDRN CO[C@H](C)CC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001531612517 1187699150 /nfs/dbraw/zinc/69/91/50/1187699150.db2.gz RSAWETSOFLDOPX-OAHLLOKOSA-N 0 0 314.429 3.444 20 10 DGCDRN C/C(=C\C(C)(C)C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001532654966 1187774681 /nfs/dbraw/zinc/77/46/81/1187774681.db2.gz HFWQRDZTUHXLGZ-OUKQBFOZSA-N 0 0 302.418 3.470 20 10 DGCDRN CC1=NO[C@](C)(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC001533141652 1187811937 /nfs/dbraw/zinc/81/19/37/1187811937.db2.gz ABQBUVCXRYTRNX-SFHVURJKSA-N 0 0 317.433 3.045 20 10 DGCDRN COc1ccc(N2CCN(C(=O)/C=C/C3CCCC3)CC2)cc1 ZINC001534018077 1187868788 /nfs/dbraw/zinc/86/87/88/1187868788.db2.gz PCXPVRXSFDGUGI-IZZDOVSWSA-N 0 0 314.429 3.090 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@H](C)O[C@H]2C)cc1 ZINC001535054366 1187935810 /nfs/dbraw/zinc/93/58/10/1187935810.db2.gz VLBPSPZRPRFIRD-RLFYNMQTSA-N 0 0 312.413 3.390 20 10 DGCDRN CCN(Cc1c(Br)cnn1C)c1ccc(OC)cc1 ZINC001616006956 1193532006 /nfs/dbraw/zinc/53/20/06/1193532006.db2.gz KARRRSJFQKWWEV-UHFFFAOYSA-N 0 0 324.222 3.218 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)N1CCOc2c(F)cc(F)cc21 ZINC001616246716 1193533737 /nfs/dbraw/zinc/53/37/37/1193533737.db2.gz PMOBPUOIHZJYNI-NSCUHMNNSA-N 0 0 316.307 3.107 20 10 DGCDRN Cc1cncc(CCC(=O)Nc2c3nonc3ccc2Cl)c1 ZINC001539054643 1188175319 /nfs/dbraw/zinc/17/53/19/1188175319.db2.gz WVPPMTPOOMQVLX-UHFFFAOYSA-N 0 0 316.748 3.151 20 10 DGCDRN Cc1csc(CCCC(=O)NCc2ccc(N(C)C)cc2)n1 ZINC001539049650 1188175610 /nfs/dbraw/zinc/17/56/10/1188175610.db2.gz KIQPJWAPJCSWKE-UHFFFAOYSA-N 0 0 317.458 3.157 20 10 DGCDRN C[C@@H]1CCc2ccccc2N1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001540435734 1188239114 /nfs/dbraw/zinc/23/91/14/1188239114.db2.gz XHGPLWXNJADGNW-RUNBWSAHSA-N 0 0 309.365 3.479 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)Cc1ccc(O)cc1 ZINC001540487401 1188242021 /nfs/dbraw/zinc/24/20/21/1188242021.db2.gz XNBAOTJFZGVEBJ-UHFFFAOYSA-N 0 0 324.424 3.194 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc(Cl)c(F)c2N)cc1 ZINC001540494251 1188242268 /nfs/dbraw/zinc/24/22/68/1188242268.db2.gz IHUBQFPTUFBFBQ-UHFFFAOYSA-N 0 0 321.783 3.057 20 10 DGCDRN O=Cc1cc(C(=O)Nc2cccc(N3CCCC3)c2)ccc1F ZINC001543239203 1188323808 /nfs/dbraw/zinc/32/38/08/1188323808.db2.gz YRMRQGIOQOGRJE-UHFFFAOYSA-N 0 0 312.344 3.491 20 10 DGCDRN CCC/C=C\[C@H](O)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC001543251360 1188324399 /nfs/dbraw/zinc/32/43/99/1188324399.db2.gz LMUJXHWIVQEEEU-JJEJIETFSA-N 0 0 322.424 3.005 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cc(Cl)ccc1N ZINC001617046176 1193555605 /nfs/dbraw/zinc/55/56/05/1193555605.db2.gz ASUDWCVXBOKXLF-UHFFFAOYSA-N 0 0 317.820 3.227 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cc2c([nH]1)CCCC2 ZINC001617047845 1193555773 /nfs/dbraw/zinc/55/57/73/1193555773.db2.gz SQONEPRAOGHJBG-UHFFFAOYSA-N 0 0 311.429 3.198 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N=c1sccn1C ZINC001544486175 1188395215 /nfs/dbraw/zinc/39/52/15/1188395215.db2.gz CAVWQZRHLGZFJI-UHFFFAOYSA-N 0 0 317.439 3.297 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc3ccccc3c2)c(O)c1O ZINC001545063447 1188421611 /nfs/dbraw/zinc/42/16/11/1188421611.db2.gz MMJSEIJEIHKBRS-UHFFFAOYSA-N 0 0 307.349 3.489 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1cccc2c1CCCCC2 ZINC001545639643 1188435271 /nfs/dbraw/zinc/43/52/71/1188435271.db2.gz XQPTXZNWTFWURI-UHFFFAOYSA-N 0 0 311.381 3.297 20 10 DGCDRN O=C(NCc1cccc(O)c1O)C1CC(c2cccc(F)c2)C1 ZINC001548790726 1188463391 /nfs/dbraw/zinc/46/33/91/1188463391.db2.gz GAMUCXCGRRHKGJ-UHFFFAOYSA-N 0 0 315.344 3.047 20 10 DGCDRN C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001556530033 1189005389 /nfs/dbraw/zinc/00/53/89/1189005389.db2.gz YRXWMZHGBDIYTE-CJNGLKHVSA-N 0 0 311.381 3.250 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2cc(F)cc(F)c2O)cc1 ZINC001557087232 1189040355 /nfs/dbraw/zinc/04/03/55/1189040355.db2.gz ZEJRIUNEQFGSFZ-UHFFFAOYSA-N 0 0 320.255 3.085 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1[nH]ccc1-c1ccccc1 ZINC001557085533 1189040411 /nfs/dbraw/zinc/04/04/11/1189040411.db2.gz OWTDWXWXGYFFDI-UHFFFAOYSA-N 0 0 308.337 3.023 20 10 DGCDRN COc1cc(C)c(C)cc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001557462391 1189065798 /nfs/dbraw/zinc/06/57/98/1189065798.db2.gz SAZFQKXZASOYQA-ALCCZGGFSA-N 0 0 313.353 3.375 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cnc3ccccc3c2C)c1 ZINC001557553572 1189071504 /nfs/dbraw/zinc/07/15/04/1189071504.db2.gz QMMYDWMTYHQVCX-UHFFFAOYSA-N 0 0 306.365 3.487 20 10 DGCDRN COc1ccc(Cl)cc1CC(=O)N[C@H](C)c1ccccc1O ZINC001557966637 1189095131 /nfs/dbraw/zinc/09/51/31/1189095131.db2.gz LHSQDIUEAVRHQX-LLVKDONJSA-N 0 0 319.788 3.474 20 10 DGCDRN Nc1c(Cl)cc(C(=O)N2Cc3cccc(O)c3C2)cc1Cl ZINC001558036092 1189100855 /nfs/dbraw/zinc/10/08/55/1189100855.db2.gz SVKDELXDDCZDEO-UHFFFAOYSA-N 0 0 323.179 3.437 20 10 DGCDRN COc1cc(C(=O)NCc2c(O)cccc2F)ccc1Cl ZINC001558454723 1189126100 /nfs/dbraw/zinc/12/61/00/1189126100.db2.gz LCKARXXVCUKNEE-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN O=C(/C=C/SCc1ccco1)NCc1c(O)cccc1F ZINC001558455150 1189126494 /nfs/dbraw/zinc/12/64/94/1189126494.db2.gz QKSWBGKPFMOBTE-SOFGYWHQSA-N 0 0 307.346 3.188 20 10 DGCDRN Cn1nc(C2CC2)cc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001558553974 1189132703 /nfs/dbraw/zinc/13/27/03/1189132703.db2.gz AEAJBMZPNGBEMD-UHFFFAOYSA-N 0 0 321.380 3.086 20 10 DGCDRN O=C(Nc1ccnn1C1CC1)c1ccc(C2=S=CC=C2)s1 ZINC001558762587 1189146538 /nfs/dbraw/zinc/14/65/38/1189146538.db2.gz YMOSCKFMFCDYMZ-UHFFFAOYSA-N 0 0 315.423 3.158 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1coc2cc(O)ccc12 ZINC001558757394 1189146593 /nfs/dbraw/zinc/14/65/93/1189146593.db2.gz CEOFUNVSDNOYST-UHFFFAOYSA-N 0 0 317.728 3.427 20 10 DGCDRN O=C(Cc1c(F)cccc1F)NCc1cccc(Cl)c1O ZINC001558757080 1189146737 /nfs/dbraw/zinc/14/67/37/1189146737.db2.gz OCFMMGRNNCXQMY-UHFFFAOYSA-N 0 0 311.715 3.183 20 10 DGCDRN COC(=O)c1cccc2c1CCCN2Cc1ccc(N(C)C)cc1 ZINC001559628994 1189224349 /nfs/dbraw/zinc/22/43/49/1189224349.db2.gz VKLNZVKHDSLHFC-UHFFFAOYSA-N 0 0 324.424 3.492 20 10 DGCDRN COc1ccc(N(C)CCN2CCc3ccccc32)c(OC)c1 ZINC001559666449 1189228253 /nfs/dbraw/zinc/22/82/53/1189228253.db2.gz KQBBTTFEXNMFDA-UHFFFAOYSA-N 0 0 312.413 3.203 20 10 DGCDRN COc1ccc(N(CCC(C)C)CC(=O)N(C)CC2CC2)cc1 ZINC001559809986 1189244520 /nfs/dbraw/zinc/24/45/20/1189244520.db2.gz VDVHGFZEVXZKRD-UHFFFAOYSA-N 0 0 318.461 3.416 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1ccccc1-n1ccnc1 ZINC001560292094 1189306136 /nfs/dbraw/zinc/30/61/36/1189306136.db2.gz XPCVITVEXKOVFR-UHFFFAOYSA-N 0 0 315.323 3.146 20 10 DGCDRN Cc1ccccc1O[C@H](C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001560354299 1189315589 /nfs/dbraw/zinc/31/55/89/1189315589.db2.gz MAFORINVCDCKQW-CYBMUJFWSA-N 0 0 316.357 3.166 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCN(CC2CCCC2)C1 ZINC001560360765 1189318041 /nfs/dbraw/zinc/31/80/41/1189318041.db2.gz YWSNTPPOXABTQH-OAHLLOKOSA-N 0 0 310.388 3.025 20 10 DGCDRN COCCOc1ccc(CNc2ccc3c(c2)ncn3C)cc1 ZINC001560379046 1189321152 /nfs/dbraw/zinc/32/11/52/1189321152.db2.gz IOPGZRIAEBIDBF-UHFFFAOYSA-N 0 0 311.385 3.211 20 10 DGCDRN CC1(C)CO[C@@H](CC[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC001560588161 1189345144 /nfs/dbraw/zinc/34/51/44/1189345144.db2.gz OERTVQVVSLWOAG-JTQLQIEISA-N 0 0 301.789 3.480 20 10 DGCDRN C[C@H]1CN(Cc2ccc(Cl)cc2O)C[C@H](C(F)(F)F)O1 ZINC001560632891 1189352496 /nfs/dbraw/zinc/35/24/96/1189352496.db2.gz ZNSJXJVSZICILL-QPUJVOFHSA-N 0 0 309.715 3.197 20 10 DGCDRN C[C@@H]1Cc2cc(CN3CCOc4cc(N(C)C)ccc43)ccc2O1 ZINC001560736133 1189371551 /nfs/dbraw/zinc/37/15/51/1189371551.db2.gz MEIGZOAIBHVXJR-CQSZACIVSA-N 0 0 324.424 3.475 20 10 DGCDRN COc1ccc(N(C)Cc2cccc3[nH]c(=O)oc32)cc1F ZINC001560746036 1189374777 /nfs/dbraw/zinc/37/47/77/1189374777.db2.gz KBOHYTCYPKULFK-UHFFFAOYSA-N 0 0 302.305 3.318 20 10 DGCDRN CC[C@H](COCC(F)(F)F)[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001560849884 1189392952 /nfs/dbraw/zinc/39/29/52/1189392952.db2.gz ZYTAFUOYNUUTQH-SECBINFHSA-N 0 0 313.266 3.118 20 10 DGCDRN CNC(=O)N(C)c1ccc(NCc2cc(F)c(F)cc2O)cc1 ZINC001560987106 1189415497 /nfs/dbraw/zinc/41/54/97/1189415497.db2.gz QZQIIGVRLHTLDR-UHFFFAOYSA-N 0 0 321.327 3.058 20 10 DGCDRN CC(C)(C)OC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2[O-])C1 ZINC001560993417 1189417510 /nfs/dbraw/zinc/41/75/10/1189417510.db2.gz HRZNYQPSWFBVAU-AULYBMBSSA-N 0 0 311.809 3.256 20 10 DGCDRN COC(=O)c1cc(C[NH2+]Cc2cccc(Cl)c2[O-])cs1 ZINC001561044342 1189424980 /nfs/dbraw/zinc/42/49/80/1189424980.db2.gz ZDOZTBURTPEZPF-UHFFFAOYSA-N 0 0 311.790 3.184 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2nccn2-c2ccccc2)c1 ZINC001562754439 1189492460 /nfs/dbraw/zinc/49/24/60/1189492460.db2.gz JGIDNFRQQCNUBL-UHFFFAOYSA-N 0 0 322.368 3.208 20 10 DGCDRN CC[C@@H]1CCN(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC001564945759 1189609432 /nfs/dbraw/zinc/60/94/32/1189609432.db2.gz UGHWNTWBBBTEBX-HZPDHXFCSA-N 0 0 317.477 3.434 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCC1CCC1 ZINC001564946679 1189609699 /nfs/dbraw/zinc/60/96/99/1189609699.db2.gz UFMIYCBOXYMONK-OAHLLOKOSA-N 0 0 317.477 3.481 20 10 DGCDRN CC(=O)c1cccc(CNC(=O)N[C@H](C)c2ccccc2O)c1 ZINC001565008594 1189614215 /nfs/dbraw/zinc/61/42/15/1189614215.db2.gz VUZUJYIQWKNEBM-GFCCVEGCSA-N 0 0 312.369 3.155 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCc1cccc2[nH]ccc21 ZINC001565257290 1189632869 /nfs/dbraw/zinc/63/28/69/1189632869.db2.gz SYZYTQQHZRQCEB-UHFFFAOYSA-N 0 0 309.369 3.215 20 10 DGCDRN Cc1ccc(C(=O)N(C)Cc2ccccc2O)c(N)c1Cl ZINC001566304351 1189760830 /nfs/dbraw/zinc/76/08/30/1189760830.db2.gz CQXDWGSIOFBYFO-UHFFFAOYSA-N 0 0 304.777 3.208 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1OC(C)(C)C ZINC001566304924 1189761142 /nfs/dbraw/zinc/76/11/42/1189761142.db2.gz ANGUSBIHTHZFOH-GDBMZVCRSA-N 0 0 305.418 3.334 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H]1CC[C@@H](C)O1 ZINC001570152588 1190803735 /nfs/dbraw/zinc/80/37/35/1190803735.db2.gz RBHUWRSJFXKJBO-ZIAGYGMSSA-N 0 0 318.442 3.453 20 10 DGCDRN C[C@@H](NC(=O)[C@@H]1CNc2ccccc21)c1ccc(N(C)C)cc1 ZINC001576189786 1191538606 /nfs/dbraw/zinc/53/86/06/1191538606.db2.gz VCILKPYTXFKCIR-CXAGYDPISA-N 0 0 309.413 3.139 20 10 DGCDRN Cc1cc(Br)ncc1NC(=O)C1=CC(=O)CS1 ZINC001618680133 1193747753 /nfs/dbraw/zinc/74/77/53/1193747753.db2.gz UOMPSOJBKKLNMV-UHFFFAOYSA-N 0 0 313.176 3.172 20 10 DGCDRN CC(C)CC(=O)N1CCN(Cc2cc(C(C)C)ccc2O)CC1 ZINC001621142782 1193808030 /nfs/dbraw/zinc/80/80/30/1193808030.db2.gz TUGAIDBDFHBAOI-UHFFFAOYSA-N 0 0 318.461 3.206 20 10 DGCDRN Cc1nn(C)c2cc(NCc3cc(F)c(F)cc3O)ccc12 ZINC001621349123 1193831515 /nfs/dbraw/zinc/83/15/15/1193831515.db2.gz XSZPCOMXVUVFNG-UHFFFAOYSA-N 0 0 303.312 3.478 20 10 DGCDRN CN(C)c1ccc(/C=C/CN2C[C@@H](CO)c3ccccc32)cc1 ZINC001621349404 1193832465 /nfs/dbraw/zinc/83/24/65/1193832465.db2.gz GMXRWSWHCZFZQY-RTRPANQVSA-N 0 0 308.425 3.362 20 10 DGCDRN CC(C)Oc1cc(C(N)=O)ccc1NCc1cccc(F)c1O ZINC001621396256 1193837497 /nfs/dbraw/zinc/83/74/97/1193837497.db2.gz BFLRFKBPKPYVSI-UHFFFAOYSA-N 0 0 318.348 3.030 20 10 DGCDRN Cc1ccc(C[NH2+]Cc2cc(F)c(F)cc2[O-])cc1[N+](=O)[O-] ZINC001621481742 1193848500 /nfs/dbraw/zinc/84/85/00/1193848500.db2.gz WNWVJPHBQHONMZ-UHFFFAOYSA-N 0 0 308.284 3.177 20 10 DGCDRN O=C(Nc1ccc(O)cc1)c1cc2cc(O)c(O)cc2s1 ZINC001622438444 1193901195 /nfs/dbraw/zinc/90/11/95/1193901195.db2.gz UEKLGMXBRWKPPP-UHFFFAOYSA-N 0 0 301.323 3.270 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cnc3ccccc3c2)c1 ZINC001622779725 1193912198 /nfs/dbraw/zinc/91/21/98/1193912198.db2.gz UDZMQVCZFDUNKN-GFCCVEGCSA-N 0 0 322.364 3.440 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1=CC(=O)CS1 ZINC001623549781 1193937933 /nfs/dbraw/zinc/93/79/33/1193937933.db2.gz KRJXEKOALXPXDT-UHFFFAOYSA-N 0 0 316.426 3.326 20 10 DGCDRN Cc1ccc(C(=O)N[C@@]2(C)CCCc3ccccc32)c(O)c1O ZINC001623762352 1193962200 /nfs/dbraw/zinc/96/22/00/1193962200.db2.gz MLYDKVZTOJEMRX-IBGZPJMESA-N 0 0 311.381 3.388 20 10 DGCDRN COCc1cccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001624086390 1193980083 /nfs/dbraw/zinc/98/00/83/1193980083.db2.gz HNBLULZOSKPOND-UHFFFAOYSA-N 0 0 312.329 3.248 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)CC(C)(C)O ZINC001624370733 1193994699 /nfs/dbraw/zinc/99/46/99/1193994699.db2.gz VSDHGVMAXCOPLF-LLVKDONJSA-N 0 0 320.458 3.435 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1cccc(O)c1 ZINC001625100537 1194031961 /nfs/dbraw/zinc/03/19/61/1194031961.db2.gz FPSHUNQMNJTAQR-SNVBAGLBSA-N 0 0 312.329 3.046 20 10 DGCDRN COC(=O)c1cc2cc(NC(=O)C3=CC(=O)CS3)ccc2o1 ZINC001625766463 1194067773 /nfs/dbraw/zinc/06/77/73/1194067773.db2.gz JOCNDDCTNFWUPM-UHFFFAOYSA-N 0 0 317.322 3.239 20 10 DGCDRN O=C(/C=C/c1ccsc1)NCc1ccc2cccnc2c1O ZINC001627072663 1194110369 /nfs/dbraw/zinc/11/03/69/1194110369.db2.gz DCMLIFMBSLBSPI-ZZXKWVIFSA-N 0 0 310.378 3.332 20 10 DGCDRN Cc1cc(C(=O)Nc2cc(C)cc(=O)[nH]2)c(C)n1-c1ccccn1 ZINC001627174772 1194115219 /nfs/dbraw/zinc/11/52/19/1194115219.db2.gz QBIJBRQKSQNEAH-UHFFFAOYSA-N 0 0 322.368 3.150 20 10 DGCDRN COc1ccc(CNC(=O)Nc2cc(C)nc(Cl)c2)c(O)c1 ZINC001627702931 1194140613 /nfs/dbraw/zinc/14/06/13/1194140613.db2.gz VXRVKRONHSANSF-UHFFFAOYSA-N 0 0 321.764 3.079 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCCC12CCCCC2 ZINC001629302047 1194224664 /nfs/dbraw/zinc/22/46/64/1194224664.db2.gz MWXUAZMQCGILRT-MRXNPFEDSA-N 0 0 303.402 3.260 20 10 DGCDRN CN(C(=O)Cc1ccc(O)c(O)c1)c1ccc2ccccc2c1 ZINC001629292339 1194224719 /nfs/dbraw/zinc/22/47/19/1194224719.db2.gz KGEQOOBBNSDDDW-UHFFFAOYSA-N 0 0 307.349 3.457 20 10 DGCDRN CC(C)(C)Oc1ccccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001629356655 1194228879 /nfs/dbraw/zinc/22/88/79/1194228879.db2.gz LWLRMFCVGSRKQI-UHFFFAOYSA-N 0 0 315.369 3.456 20 10 DGCDRN Cc1ccc2oc(CNC(=O)/C=C\c3ccc(O)c(O)c3)cc2c1 ZINC001629448069 1194235048 /nfs/dbraw/zinc/23/50/48/1194235048.db2.gz IBYPJIVRQMWOJC-DAXSKMNVSA-N 0 0 323.348 3.482 20 10 DGCDRN Cc1cc(CC(=O)NOCC2CCC2)c(C)n1-c1ccccc1 ZINC001629832637 1194254574 /nfs/dbraw/zinc/25/45/74/1194254574.db2.gz HWBIGZYVOHKZGZ-UHFFFAOYSA-N 0 0 312.413 3.485 20 10 DGCDRN C[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@@H](c2ccco2)C1 ZINC001629953459 1194261819 /nfs/dbraw/zinc/26/18/19/1194261819.db2.gz AFGMZQQYALFLML-TZMCWYRMSA-N 0 0 315.369 3.233 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc(O)cc2O)c(F)c1Cl ZINC001630307022 1194279656 /nfs/dbraw/zinc/27/96/56/1194279656.db2.gz RAHQYBVJJLPXHS-UHFFFAOYSA-N 0 0 309.724 3.129 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC[C@@H]2CCCC23CC3)cc1F ZINC001630447719 1194286957 /nfs/dbraw/zinc/28/69/57/1194286957.db2.gz ONFYLKRYLIQPFH-AWEZNQCLSA-N 0 0 319.424 3.271 20 10 DGCDRN CCCOc1ccc(NC(=O)Cc2ccc(O)c(O)c2)c(C)c1 ZINC001630751039 1194302354 /nfs/dbraw/zinc/30/23/54/1194302354.db2.gz VAQOKSNYCJJTRW-UHFFFAOYSA-N 0 0 315.369 3.376 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCC(C)(C)C1CC1 ZINC001631505953 1194338393 /nfs/dbraw/zinc/33/83/93/1194338393.db2.gz PQDNPWXKABDIDI-UHFFFAOYSA-N 0 0 303.450 3.296 20 10 DGCDRN C[C@H](NC(=O)/C=C/c1ccnc(Cl)c1)c1ccccc1O ZINC001632250191 1194379153 /nfs/dbraw/zinc/37/91/53/1194379153.db2.gz MULGFPJSKBURCY-MLRMMBSGSA-N 0 0 302.761 3.331 20 10 DGCDRN COc1ccc2[nH]cc(CC(=O)N[C@@H](C)c3ccccc3O)c2c1 ZINC001632249979 1194379297 /nfs/dbraw/zinc/37/92/97/1194379297.db2.gz GGYBFIGALFRHLP-LBPRGKRZSA-N 0 0 324.380 3.302 20 10 DGCDRN O=C(c1coc(-c2ccccc2)n1)N1Cc2cccc(O)c2C1 ZINC001632708894 1194403034 /nfs/dbraw/zinc/40/30/34/1194403034.db2.gz IBDYSPZAXSQTBZ-UHFFFAOYSA-N 0 0 306.321 3.203 20 10 DGCDRN CC(C)(C)C[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(F)(F)F ZINC001632939314 1194413005 /nfs/dbraw/zinc/41/30/05/1194413005.db2.gz BQVPOLJURATOLU-LBPRGKRZSA-N 0 0 319.323 3.124 20 10 DGCDRN CC(C)[C@@H]1CCC[C@H](NC(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001634581795 1194503588 /nfs/dbraw/zinc/50/35/88/1194503588.db2.gz FKVPHUSFJSOLHP-CABCVRRESA-N 0 0 305.418 3.361 20 10 DGCDRN CCCOc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1C ZINC001634596425 1194504147 /nfs/dbraw/zinc/50/41/47/1194504147.db2.gz CHNOSYMFAJOZNH-UHFFFAOYSA-N 0 0 315.369 3.376 20 10 DGCDRN CCn1cc(C(=O)N[C@@H](C)c2ccccc2O)c(C(C)C)n1 ZINC001635798861 1194572713 /nfs/dbraw/zinc/57/27/13/1194572713.db2.gz FNMZJLLGQHGHTJ-LBPRGKRZSA-N 0 0 301.390 3.223 20 10 DGCDRN C[C@@H](NC(=O)Cc1cc2ccccc2[nH]c1=O)c1ccccc1O ZINC001635794074 1194572740 /nfs/dbraw/zinc/57/27/40/1194572740.db2.gz VEXWJMORACAAGJ-GFCCVEGCSA-N 0 0 322.364 3.066 20 10 DGCDRN C[C@H](NC(=O)c1scnc1C(F)(F)F)c1ccccc1O ZINC001635803775 1194573192 /nfs/dbraw/zinc/57/31/92/1194573192.db2.gz JHMYFHUPIJOLJD-ZETCQYMHSA-N 0 0 316.304 3.359 20 10 DGCDRN O=C(NCc1c(O)cccc1O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC001635847000 1194575918 /nfs/dbraw/zinc/57/59/18/1194575918.db2.gz GBUHZLFFCPRRIY-MGPQQGTHSA-N 0 0 303.402 3.321 20 10 DGCDRN C[C@@H](CC(=O)NCc1c(O)ccc2ccccc21)n1ccnc1 ZINC001635969844 1194583020 /nfs/dbraw/zinc/58/30/20/1194583020.db2.gz YULFEIHWOPHCAR-ZDUSSCGKSA-N 0 0 309.369 3.009 20 10 DGCDRN CC(C)(C)c1ccc(O)c(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001636741374 1194630877 /nfs/dbraw/zinc/63/08/77/1194630877.db2.gz GDTKTXHLNIIMTF-UHFFFAOYSA-N 0 0 315.369 3.282 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1COC(C)(C)C1 ZINC001636867448 1194637849 /nfs/dbraw/zinc/63/78/49/1194637849.db2.gz ATGYGQLXYNOXDV-ZDUSSCGKSA-N 0 0 318.442 3.453 20 10 DGCDRN C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001636974094 1194642963 /nfs/dbraw/zinc/64/29/63/1194642963.db2.gz QAUZRERZJRHXIV-TZMCWYRMSA-N 0 0 305.418 3.314 20 10 DGCDRN CCSc1ccccc1CC(=O)NCc1cccc(O)c1O ZINC001637046342 1194647688 /nfs/dbraw/zinc/64/76/88/1194647688.db2.gz PHWBZDQSMFRNDF-UHFFFAOYSA-N 0 0 317.410 3.069 20 10 DGCDRN Cc1cc(F)ccc1[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001637660246 1194680946 /nfs/dbraw/zinc/68/09/46/1194680946.db2.gz FHEJJPKRQMCBBK-GXWOQWCDSA-N 0 0 315.344 3.436 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cc(O)c2ccccc2c1 ZINC001638862830 1194741480 /nfs/dbraw/zinc/74/14/80/1194741480.db2.gz DUJGZBTZSGCTIZ-UHFFFAOYSA-N 0 0 311.312 3.320 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC2(Cc3ccccc3)CC2)cc1 ZINC001638955705 1194744493 /nfs/dbraw/zinc/74/44/93/1194744493.db2.gz BOIYTXOHLHXLIA-UHFFFAOYSA-N 0 0 322.368 3.354 20 10 DGCDRN CC(=O)c1cc(NC(=O)C=Cc2ccc(O)c(O)c2)ccc1C ZINC001639244111 1194757117 /nfs/dbraw/zinc/75/71/17/1194757117.db2.gz IPJROQBHWVDDKK-YVMONPNESA-N 0 0 311.337 3.261 20 10 DGCDRN O=C(NCc1c(O)cccc1O)C1(Cc2ccccc2)CCC1 ZINC001639292721 1194759152 /nfs/dbraw/zinc/75/91/52/1194759152.db2.gz NXSDJFFBHUDDRK-UHFFFAOYSA-N 0 0 311.381 3.127 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H]1CC12CC(O)C2 ZINC001639331862 1194761052 /nfs/dbraw/zinc/76/10/52/1194761052.db2.gz HTLBFKFSSVYEIE-VDUSKEEQSA-N 0 0 324.424 3.046 20 10 DGCDRN COc1cc(Cl)ccc1OC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001639383350 1194762362 /nfs/dbraw/zinc/76/23/62/1194762362.db2.gz QYJRKHMVPMZKGX-CLTKARDFSA-N 0 0 320.728 3.379 20 10 DGCDRN Cn1ncc(C(=O)NCc2c(O)ccc3ccccc32)c1C1CC1 ZINC001639384111 1194762542 /nfs/dbraw/zinc/76/25/42/1194762542.db2.gz FPJKXKPJXFYMFN-UHFFFAOYSA-N 0 0 321.380 3.086 20 10 DGCDRN Cc1cncc(CCC(=O)NCc2c(O)ccc3ccccc32)c1 ZINC001639387281 1194762756 /nfs/dbraw/zinc/76/27/56/1194762756.db2.gz JLVFYUCDZRGGOR-UHFFFAOYSA-N 0 0 320.392 3.498 20 10 DGCDRN CC(C)n1ccc(C(=O)NCc2c(O)ccc3ccccc32)n1 ZINC001639384624 1194762990 /nfs/dbraw/zinc/76/29/90/1194762990.db2.gz NFFUBNOKGYNMNZ-UHFFFAOYSA-N 0 0 309.369 3.253 20 10 DGCDRN CCC/C(C)=C/C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001639814270 1194783057 /nfs/dbraw/zinc/78/30/57/1194783057.db2.gz QZBSHAPDRWOWGL-CCEZHUSRSA-N 0 0 304.434 3.336 20 10 DGCDRN COc1ccc(-c2nccc(N[C@@H](C)c3ccccc3O)n2)cc1 ZINC001640282607 1194805274 /nfs/dbraw/zinc/80/52/74/1194805274.db2.gz ZBZAWRKPYGKCJT-ZDUSSCGKSA-N 0 0 321.380 3.453 20 10 DGCDRN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(Cl)c1O ZINC001640404592 1194811742 /nfs/dbraw/zinc/81/17/42/1194811742.db2.gz DEAGRMLUDWNUIZ-UHFFFAOYSA-N 0 0 320.732 3.192 20 10 DGCDRN Cc1ccc2nc(C(=O)NCc3cc(C)ccc3O)ccc2c1 ZINC001640796735 1194828066 /nfs/dbraw/zinc/82/80/66/1194828066.db2.gz NAGUFARMQUXIOF-UHFFFAOYSA-N 0 0 306.365 3.487 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccc3nccc(C)c3c2)c1 ZINC001640796420 1194828296 /nfs/dbraw/zinc/82/82/96/1194828296.db2.gz DCAUYLVFWOWUDV-UHFFFAOYSA-N 0 0 306.365 3.487 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H]1c1ccc(F)cc1 ZINC001641050223 1194837030 /nfs/dbraw/zinc/83/70/30/1194837030.db2.gz VPGZSMYTRKGXKY-SDHLOXDLSA-N 0 0 313.328 3.224 20 10 DGCDRN Cc1ncc([C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)s1 ZINC001642440949 1194911466 /nfs/dbraw/zinc/91/14/66/1194911466.db2.gz AMGVJYVIWBENMK-MRVPVSSYSA-N 0 0 317.374 3.105 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C[C@H]1CCCC(C)(C)O1 ZINC001642567455 1194920243 /nfs/dbraw/zinc/92/02/43/1194920243.db2.gz PUPOUKKXDPGONH-OAHLLOKOSA-N 0 0 304.434 3.299 20 10 DGCDRN CCc1cc(NCc2ccc3cccnc3c2O)nc(CC)n1 ZINC001642823625 1194943984 /nfs/dbraw/zinc/94/39/84/1194943984.db2.gz MGGOXPNAEYCNQH-UHFFFAOYSA-N 0 0 308.385 3.467 20 10 DGCDRN COc1ccc(N(C)CCN(C)c2nc3ccccc3o2)cc1 ZINC001642894830 1194951958 /nfs/dbraw/zinc/95/19/58/1194951958.db2.gz DXZOHPWLESFFPP-UHFFFAOYSA-N 0 0 311.385 3.409 20 10 DGCDRN C[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)c1ccccc1O ZINC001643063957 1194964595 /nfs/dbraw/zinc/96/45/95/1194964595.db2.gz ROCVKRGVMKLGSM-JTQLQIEISA-N 0 0 310.313 3.417 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc(O)cc2O)c2ccccc12 ZINC001643104160 1194994093 /nfs/dbraw/zinc/99/40/93/1194994093.db2.gz NZCHWJGUSCSQOO-UHFFFAOYSA-N 0 0 307.349 3.489 20 10 DGCDRN O=C(/C=C\c1ccccc1)NCc1ccc2cccnc2c1O ZINC001643284564 1195010186 /nfs/dbraw/zinc/01/01/86/1195010186.db2.gz GXMPTVPUKVYVDB-FLIBITNWSA-N 0 0 304.349 3.270 20 10 DGCDRN COc1ccc(N(CC(C)C)C[C@@H]2CCC3(COC3)O2)cc1 ZINC001643477012 1195027242 /nfs/dbraw/zinc/02/72/42/1195027242.db2.gz ZCTMJIGERMLVMD-KRWDZBQOSA-N 0 0 305.418 3.106 20 10 DGCDRN C[C@@H](NC(=O)COc1ccc(Cl)cc1)c1ccccc1O ZINC001643738744 1195050561 /nfs/dbraw/zinc/05/05/61/1195050561.db2.gz OGLIGBLIZPQZOV-LLVKDONJSA-N 0 0 305.761 3.302 20 10 DGCDRN C[C@H](NC(=O)c1cc(F)c(F)c(F)c1F)c1ccccc1O ZINC001643741975 1195051365 /nfs/dbraw/zinc/05/13/65/1195051365.db2.gz IECCEFKQAQVYOZ-ZETCQYMHSA-N 0 0 313.250 3.440 20 10 DGCDRN Cc1onc(-c2ccncc2)c1C(=O)N[C@@H](C)c1ccccc1O ZINC001643742251 1195051526 /nfs/dbraw/zinc/05/15/26/1195051526.db2.gz VVDLXPHUVUAKGK-NSHDSACASA-N 0 0 323.352 3.242 20 10 DGCDRN C/C(=C\C(=O)NCc1cccc(O)c1O)c1cccc(Cl)c1 ZINC001643812832 1195056284 /nfs/dbraw/zinc/05/62/84/1195056284.db2.gz QZBNEWOYRXOHCO-DHZHZOJOSA-N 0 0 317.772 3.471 20 10 DGCDRN O=C(/C=C\c1ccc(Cl)s1)NCc1cccc(O)c1O ZINC001643812986 1195056573 /nfs/dbraw/zinc/05/65/73/1195056573.db2.gz VJJXXMMYBYKRPA-ALCCZGGFSA-N 0 0 309.774 3.142 20 10 DGCDRN CCn1ncc(NC(=O)c2cc3cc(O)c(O)cc3s2)c1C ZINC001643973259 1195069599 /nfs/dbraw/zinc/06/95/99/1195069599.db2.gz KKYZBVXAINMFHS-UHFFFAOYSA-N 0 0 317.370 3.090 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)Nc2conc2C)c1 ZINC001644193746 1195088782 /nfs/dbraw/zinc/08/87/82/1195088782.db2.gz MGXBLTWZUWRMOK-UHFFFAOYSA-N 0 0 323.352 3.455 20 10 DGCDRN C/C(=C\c1ccncc1)C(=O)NCc1cc(Cl)ccc1O ZINC001644590811 1195118765 /nfs/dbraw/zinc/11/87/65/1195118765.db2.gz QBEQXJMQTCASEL-DHZHZOJOSA-N 0 0 302.761 3.160 20 10 DGCDRN CCn1cc(CCN2CCCc3cc(OC(F)F)ccc32)cn1 ZINC001644806292 1195135718 /nfs/dbraw/zinc/13/57/18/1195135718.db2.gz NIFBFMABEBFXJO-UHFFFAOYSA-N 0 0 321.371 3.500 20 10 DGCDRN CC(C)Oc1ccc(N(C)Cc2nc(CC3CC3)no2)cc1 ZINC001645278212 1195171558 /nfs/dbraw/zinc/17/15/58/1195171558.db2.gz HZAVREKNYSDRDW-UHFFFAOYSA-N 0 0 301.390 3.446 20 10 DGCDRN C[C@@H](C(=O)NCc1c(O)cccc1O)c1cc2ccccc2o1 ZINC001645360578 1195178396 /nfs/dbraw/zinc/17/83/96/1195178396.db2.gz DGFJKVRTOUINBD-LLVKDONJSA-N 0 0 311.337 3.264 20 10 DGCDRN CC(C)Nc1ncccc1C(=O)NCc1cccc(Cl)c1O ZINC001647827006 1195256363 /nfs/dbraw/zinc/25/63/63/1195256363.db2.gz SAHRNAQTOWOVRV-UHFFFAOYSA-N 0 0 319.792 3.191 20 10 DGCDRN CCOc1ccc(N(CCOC[C@H]2CCCO2)CC2CC2)cc1 ZINC001648030683 1195271842 /nfs/dbraw/zinc/27/18/42/1195271842.db2.gz SEQUGBPYMSPGMB-LJQANCHMSA-N 0 0 319.445 3.497 20 10 DGCDRN O=C(C[C@@H]1Cc2ccccc2O1)NCc1cccc(Cl)c1O ZINC001648609420 1195312838 /nfs/dbraw/zinc/31/28/38/1195312838.db2.gz XXCKJTHGBMJDTM-ZDUSSCGKSA-N 0 0 317.772 3.056 20 10 DGCDRN Cc1cc(CNC(=O)c2cnc(C)[nH]2)c(C)n1-c1cccc(C)c1 ZINC001648611419 1195314272 /nfs/dbraw/zinc/31/42/72/1195314272.db2.gz BEBXUSCFVQWDJN-UHFFFAOYSA-N 0 0 322.412 3.364 20 10 DGCDRN Cc1noc2ncnc(N(C)Cc3ccc(N4CCCC4)cc3)c12 ZINC001650084769 1195360064 /nfs/dbraw/zinc/36/00/64/1195360064.db2.gz AQKBFZABPDSETR-UHFFFAOYSA-N 0 0 323.400 3.163 20 10 DGCDRN CCOc1cc(NCc2ccc(N(C)C)cc2C)nc(C)n1 ZINC001650742716 1195378059 /nfs/dbraw/zinc/37/80/59/1195378059.db2.gz DYHYYTKLAUGEAQ-UHFFFAOYSA-N 0 0 300.406 3.170 20 10 DGCDRN COc1ccc(C(=O)NCc2cccc(O)c2O)c2ccccc12 ZINC001651172764 1195422395 /nfs/dbraw/zinc/42/23/95/1195422395.db2.gz FHOXXVQFFAZHDK-UHFFFAOYSA-N 0 0 323.348 3.190 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1cc2ccc(F)cc2s1 ZINC001651172937 1195422477 /nfs/dbraw/zinc/42/24/77/1195422477.db2.gz LIYLPVCETILKAI-UHFFFAOYSA-N 0 0 317.341 3.382 20 10 DGCDRN Cc1c2cc(C)ccc2[nH]c1C(=O)NCc1cccc(O)c1O ZINC001651175721 1195422982 /nfs/dbraw/zinc/42/29/82/1195422982.db2.gz KJGJUIRXQNBNIR-UHFFFAOYSA-N 0 0 310.353 3.126 20 10 DGCDRN CC[C@H](NCc1ccc(N(C)C)c(F)c1)C(=O)OC(C)(C)C ZINC001651250072 1195433679 /nfs/dbraw/zinc/43/36/79/1195433679.db2.gz NTOAGGLCPORKPY-AWEZNQCLSA-N 0 0 310.413 3.102 20 10 DGCDRN Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cccc(F)c2[O-])n1 ZINC001651773723 1195508007 /nfs/dbraw/zinc/50/80/07/1195508007.db2.gz PEKFMCNGEUMKDX-OAHLLOKOSA-N 0 0 315.392 3.311 20 10 DGCDRN COc1ccccc1OCC[N@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001651974987 1195530543 /nfs/dbraw/zinc/53/05/43/1195530543.db2.gz JTFCRNCJJOZILQ-UHFFFAOYSA-N 0 0 323.339 3.190 20 10 DGCDRN Cc1ccc(O)c(CNc2nc(-c3ccncc3)nc(C)c2C)c1 ZINC001652057379 1195542684 /nfs/dbraw/zinc/54/26/84/1195542684.db2.gz SCRFVFOKLUWWEH-UHFFFAOYSA-N 0 0 320.396 3.203 20 10 DGCDRN O=C(c1cc(NCc2ccc(Cl)cc2O)c[nH]1)N1CCCC1 ZINC001652146532 1195553375 /nfs/dbraw/zinc/55/33/75/1195553375.db2.gz QHCNAIPBZAUKEF-UHFFFAOYSA-N 0 0 319.792 3.222 20 10 DGCDRN O=C(CCc1ccc(F)cc1F)NCc1c(O)cccc1F ZINC001652297912 1195577102 /nfs/dbraw/zinc/57/71/02/1195577102.db2.gz AXAXOAWQRFGCKQ-UHFFFAOYSA-N 0 0 309.287 3.059 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1sccc1C(F)F ZINC001652298418 1195577221 /nfs/dbraw/zinc/57/72/21/1195577221.db2.gz KMWYSMXCTCQKJL-UHFFFAOYSA-N 0 0 301.289 3.460 20 10 DGCDRN O=C(CCSc1ccccc1)NCc1c(O)cccc1F ZINC001652295224 1195577285 /nfs/dbraw/zinc/57/72/85/1195577285.db2.gz DCAKMRPSLPZTPL-UHFFFAOYSA-N 0 0 305.374 3.330 20 10 DGCDRN Oc1c(Cl)cccc1CNc1nccc(C(F)(F)F)n1 ZINC001652315992 1195580712 /nfs/dbraw/zinc/58/07/12/1195580712.db2.gz ZGMTUNXOFXHKFR-UHFFFAOYSA-N 0 0 303.671 3.467 20 10 DGCDRN COc1c(NCc2ccc(C)cc2O)cc(Cl)cc1C(N)=O ZINC001652452585 1195599087 /nfs/dbraw/zinc/59/90/87/1195599087.db2.gz HYRCVLGUJKPSND-UHFFFAOYSA-N 0 0 320.776 3.074 20 10 DGCDRN O=C(NCc1c(O)cccc1O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC001652629085 1195629062 /nfs/dbraw/zinc/62/90/62/1195629062.db2.gz WDYJZYSEAOZXBM-KBPBESRZSA-N 0 0 315.344 3.047 20 10 DGCDRN CCCOc1ccc(CN[C@@H](CC2CC2)C(=O)OC)cc1C ZINC001652681708 1195636688 /nfs/dbraw/zinc/63/66/88/1195636688.db2.gz QBNQLCZYIRGIPN-INIZCTEOSA-N 0 0 305.418 3.215 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cnn2ccccc12 ZINC001652705436 1195638568 /nfs/dbraw/zinc/63/85/68/1195638568.db2.gz FHBXNCMSGNYBGW-UHFFFAOYSA-N 0 0 317.348 3.123 20 10 DGCDRN CN1CCc2c(NCc3cccc(Cl)c3O)cccc2C1=O ZINC001652838459 1195659118 /nfs/dbraw/zinc/65/91/18/1195659118.db2.gz DARMFQZIOIRQIC-UHFFFAOYSA-N 0 0 316.788 3.286 20 10 DGCDRN COc1ccc(N(C)C[C@H]2CC[C@H](C(F)(F)F)O2)c(OC)c1 ZINC001652957669 1195674931 /nfs/dbraw/zinc/67/49/31/1195674931.db2.gz NDKVNVLTXZSKHA-BXUZGUMPSA-N 0 0 319.323 3.250 20 10 DGCDRN COC(=O)c1cc(OC[C@H]2CCC(F)(F)C2)ccc1N(C)C ZINC001653036888 1195682578 /nfs/dbraw/zinc/68/25/78/1195682578.db2.gz HYPHIHUAFDTVEY-NSHDSACASA-N 0 0 313.344 3.353 20 10 DGCDRN COCc1ccccc1C(=O)NCc1cccc(Cl)c1O ZINC001653563649 1195734228 /nfs/dbraw/zinc/73/42/28/1195734228.db2.gz HSEWGECOMQLZKR-UHFFFAOYSA-N 0 0 305.761 3.122 20 10 DGCDRN COc1cc2c(c(OC)c1)N(Cc1c(F)cncc1F)CCC2 ZINC001653904511 1195758401 /nfs/dbraw/zinc/75/84/01/1195758401.db2.gz RQMJQRMKXLWIIE-UHFFFAOYSA-N 0 0 320.339 3.330 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C[C@@H]1CCCC2(CCC2)O1 ZINC001654010987 1195766403 /nfs/dbraw/zinc/76/64/03/1195766403.db2.gz GTBPTWGLSLINIR-INIZCTEOSA-N 0 0 316.445 3.443 20 10 DGCDRN COc1cccc(CNC(=O)OCc2cccc(Cl)c2)c1O ZINC001654292253 1195791559 /nfs/dbraw/zinc/79/15/59/1195791559.db2.gz DTFMDMUKIAETBN-UHFFFAOYSA-N 0 0 321.760 3.481 20 10 DGCDRN Cc1ncc(CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])s1 ZINC001655957053 1195982867 /nfs/dbraw/zinc/98/28/67/1195982867.db2.gz OJZZTIUCWVOMIA-UHFFFAOYSA-N 0 0 300.786 3.282 20 10 DGCDRN CN(C)C(=O)Nc1cccc(NCc2cc(F)cc(F)c2O)c1 ZINC001656265535 1196024793 /nfs/dbraw/zinc/02/47/93/1196024793.db2.gz ZDERMUDHGJJMRO-UHFFFAOYSA-N 0 0 321.327 3.376 20 10 DGCDRN CCC(CC)(CCO)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001656645069 1196057165 /nfs/dbraw/zinc/05/71/65/1196057165.db2.gz BVEPOBACWMFNFP-UHFFFAOYSA-N 0 0 303.805 3.463 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCOc1ccc(F)cc1F ZINC001656688157 1196062565 /nfs/dbraw/zinc/06/25/65/1196062565.db2.gz HSZUNOSOICSLTI-UHFFFAOYSA-N 0 0 315.266 3.117 20 10 DGCDRN Cn1cnc2cc(NCc3ccc(C(=O)NC4CC4)cc3)ccc21 ZINC001656764778 1196070007 /nfs/dbraw/zinc/07/00/07/1196070007.db2.gz SBODTPFHLONBHC-UHFFFAOYSA-N 0 0 320.396 3.078 20 10 DGCDRN CCCN(CCC)c1ccc(CNc2ccn(CCO)n2)cc1 ZINC001656872651 1196077184 /nfs/dbraw/zinc/07/71/84/1196077184.db2.gz AUJNBEOEIMXKAS-UHFFFAOYSA-N 0 0 316.449 3.114 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNc1ccc2c(c1)nnn2C ZINC001657581026 1196157007 /nfs/dbraw/zinc/15/70/07/1196157007.db2.gz JSBDXWKZNSMWAR-UHFFFAOYSA-N 0 0 305.385 3.381 20 10 DGCDRN CCOC(=O)/C=C\CN1CCCc2cc(OC(F)F)ccc21 ZINC001657590338 1196157852 /nfs/dbraw/zinc/15/78/52/1196157852.db2.gz SYYMZVHFJXAPDO-XQRVVYSFSA-N 0 0 311.328 3.160 20 10 DGCDRN CCN(C[C@@H]1CCC[C@]2(CCOC2)O1)c1ccc(OC)cc1 ZINC001657657934 1196165591 /nfs/dbraw/zinc/16/55/91/1196165591.db2.gz WFGLOWQPEBRAOK-ZWKOTPCHSA-N 0 0 305.418 3.250 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1cc(F)c(F)cc1O ZINC001657677287 1196168723 /nfs/dbraw/zinc/16/87/23/1196168723.db2.gz FMCDLKQMEQVYLH-UHFFFAOYSA-N 0 0 320.339 3.135 20 10 DGCDRN CCc1nnc([C@H](C)NCc2ccc(N(CC)CC)c(F)c2)[nH]1 ZINC001657710102 1196171510 /nfs/dbraw/zinc/17/15/10/1196171510.db2.gz JAVXOUBLZUBEFY-LBPRGKRZSA-N 0 0 319.428 3.203 20 10 DGCDRN COC(=O)[C@H]1C[C@H](C)CCN1Cc1cc(Cl)c(C)cc1O ZINC001657860225 1196186755 /nfs/dbraw/zinc/18/67/55/1196186755.db2.gz NIQLDBJPQURTRI-QMTHXVAHSA-N 0 0 311.809 3.128 20 10 DGCDRN CC(C)(C)CC[C@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC001657905050 1196192243 /nfs/dbraw/zinc/19/22/43/1196192243.db2.gz JMOZSYRLVFDVRP-LLVKDONJSA-N 0 0 303.805 3.462 20 10 DGCDRN COC(=O)COc1ccc(N(C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC001658211504 1196225774 /nfs/dbraw/zinc/22/57/74/1196225774.db2.gz QCOWLRKIACNXSP-KFWWJZLASA-N 0 0 303.402 3.111 20 10 DGCDRN COC(=O)COc1ccc(N(C)CC2CC3(CCC3)C2)cc1 ZINC001658211342 1196226052 /nfs/dbraw/zinc/22/60/52/1196226052.db2.gz OMKIFSJECSGAAQ-UHFFFAOYSA-N 0 0 303.402 3.255 20 10 DGCDRN Cc1cc(O)c(CNc2cccc3c2CCNC3=O)cc1Cl ZINC001658343393 1196244231 /nfs/dbraw/zinc/24/42/31/1196244231.db2.gz RKJNEZYWMOGKND-UHFFFAOYSA-N 0 0 316.788 3.252 20 10 DGCDRN Cc1ccc(CN(CC(=O)OC(C)(C)C)CC2CC2)c(O)c1 ZINC001658495295 1196264465 /nfs/dbraw/zinc/26/44/65/1196264465.db2.gz MCXGVJHTHLVMRO-UHFFFAOYSA-N 0 0 305.418 3.254 20 10 DGCDRN O=c1[nH]c2cc(C[NH2+]Cc3cc(Cl)cc(F)c3[O-])ccc2o1 ZINC001658551844 1196273591 /nfs/dbraw/zinc/27/35/91/1196273591.db2.gz QEYYTINVCFWJEK-UHFFFAOYSA-N 0 0 322.723 3.321 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)Nc1ccc(Cl)nc1 ZINC001658637372 1196283879 /nfs/dbraw/zinc/28/38/79/1196283879.db2.gz AXSAZWVMSCJEKO-UHFFFAOYSA-N 0 0 312.156 3.416 20 10 DGCDRN CN(C)c1cc(F)c(CN(C)c2ccc3c(c2)OCO3)cc1F ZINC001658803426 1196303826 /nfs/dbraw/zinc/30/38/26/1196303826.db2.gz MZRLPFGBCMJIQX-UHFFFAOYSA-N 0 0 320.339 3.396 20 10 DGCDRN Cc1cn2cc(NC(=O)N[C@H](C)c3ccccc3O)ccc2n1 ZINC001658975122 1196326772 /nfs/dbraw/zinc/32/67/72/1196326772.db2.gz JMKQPCRPIYKXTG-GFCCVEGCSA-N 0 0 310.357 3.231 20 10 DGCDRN COC(=O)C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C(C)(C)C ZINC001658977921 1196326889 /nfs/dbraw/zinc/32/68/89/1196326889.db2.gz CFKSANIYTHRJNG-ZDUSSCGKSA-N 0 0 317.788 3.252 20 10 DGCDRN Cc1nc2ccccn2c1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC001659065043 1196339119 /nfs/dbraw/zinc/33/91/19/1196339119.db2.gz ZQYSGNUBAUWXES-UHFFFAOYSA-N 0 0 319.767 3.431 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC001659239273 1196362128 /nfs/dbraw/zinc/36/21/28/1196362128.db2.gz DDXCYCKMCOBLJA-CXAGYDPISA-N 0 0 320.339 3.075 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC001659709845 1196407640 /nfs/dbraw/zinc/40/76/40/1196407640.db2.gz FTGHBNJLQCDXEA-OLZOCXBDSA-N 0 0 311.372 3.309 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC001659709848 1196407706 /nfs/dbraw/zinc/40/77/06/1196407706.db2.gz FTGHBNJLQCDXEA-STQMWFEESA-N 0 0 311.372 3.309 20 10 DGCDRN CO[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])C1CCCC1 ZINC001659730018 1196409159 /nfs/dbraw/zinc/40/91/59/1196409159.db2.gz QORHDTZLNUOSBI-HNNXBMFYSA-N 0 0 301.789 3.480 20 10 DGCDRN CC(C)(C)OC(=O)N1CCCN1Cc1cc(F)c(F)cc1O ZINC001659773649 1196413239 /nfs/dbraw/zinc/41/32/39/1196413239.db2.gz SVLZNQQXKVYRDP-UHFFFAOYSA-N 0 0 314.332 3.028 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC001659847633 1196421050 /nfs/dbraw/zinc/42/10/50/1196421050.db2.gz KVLUWCAQOIIXBU-HNNXBMFYSA-N 0 0 323.314 3.463 20 10 DGCDRN CN(C)c1ccccc1C[N@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001659916830 1196428851 /nfs/dbraw/zinc/42/88/51/1196428851.db2.gz SJACFAGMRCEIIT-UHFFFAOYSA-N 0 0 306.356 3.368 20 10 DGCDRN CN1c2ccccc2N(Cc2cc(F)c(F)cc2O)CCC1=O ZINC001659937412 1196430347 /nfs/dbraw/zinc/43/03/47/1196430347.db2.gz GAOVJQBEVSBXHD-UHFFFAOYSA-N 0 0 318.323 3.044 20 10 DGCDRN CCOC(=O)[C@H](CCCC(C)C)NCc1cccc(F)c1O ZINC001659991950 1196435389 /nfs/dbraw/zinc/43/53/89/1196435389.db2.gz CYPMJNJBJUZUBW-HNNXBMFYSA-N 0 0 311.397 3.379 20 10 DGCDRN C[C@@H]1CCCN(Cc2cccc(F)c2O)[C@@H]1C(=O)OC(C)(C)C ZINC001660080417 1196442928 /nfs/dbraw/zinc/44/29/28/1196442928.db2.gz GCQCTUKCFXFJKT-DOMZBBRYSA-N 0 0 323.408 3.474 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC001660090977 1196444184 /nfs/dbraw/zinc/44/41/84/1196444184.db2.gz WDXVNHVUFMLBGT-QGZVFWFLSA-N 0 0 323.383 3.452 20 10 DGCDRN CN(C)c1cc(F)c(CN2CCOC[C@H]2C2CCC2)cc1F ZINC001660100821 1196445054 /nfs/dbraw/zinc/44/50/54/1196445054.db2.gz ZDUNSSXMEAUDMC-KRWDZBQOSA-N 0 0 310.388 3.032 20 10 DGCDRN CC(C)(C)c1cc2n(n1)CCN(Cc1cc(F)c(F)cc1O)C2 ZINC001660127538 1196449281 /nfs/dbraw/zinc/44/92/81/1196449281.db2.gz QMAIPHPQUAEVQX-UHFFFAOYSA-N 0 0 321.371 3.180 20 10 DGCDRN Cn1cnc2cc(C[NH2+]Cc3cc(Cl)c(F)cc3[O-])ccc21 ZINC001660713069 1196515567 /nfs/dbraw/zinc/51/55/67/1196515567.db2.gz BBIAEDCTKURFEM-UHFFFAOYSA-N 0 0 319.767 3.361 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H](CO)c1cccc(F)c1 ZINC001661421272 1196604172 /nfs/dbraw/zinc/60/41/72/1196604172.db2.gz YKGJPLKPEJTBRQ-AWEZNQCLSA-N 0 0 313.731 3.147 20 10 DGCDRN CCOCc1cc(CNCc2ncc(C)s2)ccc1OC ZINC001661483012 1196610404 /nfs/dbraw/zinc/61/04/04/1196610404.db2.gz CXQTYDRUAQCXNS-UHFFFAOYSA-N 0 0 306.431 3.286 20 10 DGCDRN CC(C)[C@H](O)C(C)(C)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001662129666 1196684702 /nfs/dbraw/zinc/68/47/02/1196684702.db2.gz XJNQYNKXGYNMIH-AWEZNQCLSA-N 0 0 303.805 3.317 20 10 DGCDRN CC(C)CN1CCN(Cc2cc(C(C)C)ccc2O)[C@@H](C)C1=O ZINC001664403056 1196995049 /nfs/dbraw/zinc/99/50/49/1196995049.db2.gz ASWMNSJICCDJCI-HNNXBMFYSA-N 0 0 318.461 3.204 20 10 DGCDRN C=Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC001664995756 1197084697 /nfs/dbraw/zinc/08/46/97/1197084697.db2.gz VHJOZCUERYXLGM-LBPRGKRZSA-N 0 0 303.383 3.075 20 10 DGCDRN CCc1cccc(NC(=O)C[NH2+]Cc2cccc(Cl)c2[O-])c1 ZINC001665049312 1197091884 /nfs/dbraw/zinc/09/18/84/1197091884.db2.gz YDVFHLISQOCNJP-UHFFFAOYSA-N 0 0 318.804 3.336 20 10 DGCDRN C[C@@]1(C(F)(F)F)CN(Cc2ccc(Cl)cc2O)CCO1 ZINC001665493633 1197144143 /nfs/dbraw/zinc/14/41/43/1197144143.db2.gz HVMKZVQUTZREGJ-LBPRGKRZSA-N 0 0 309.715 3.199 20 10 DGCDRN COc1ccc2c(c1)C[C@@H]([NH2+]Cc1c([O-])cccc1F)CC2 ZINC001665712385 1197179507 /nfs/dbraw/zinc/17/95/07/1197179507.db2.gz NKABFBOENUYPFN-AWEZNQCLSA-N 0 0 301.361 3.187 20 10 DGCDRN COc1ccc(NC(=O)N[C@H](C)c2ccccc2O)cc1F ZINC001665988758 1197224730 /nfs/dbraw/zinc/22/47/30/1197224730.db2.gz IMGTXEGLCDWULU-SNVBAGLBSA-N 0 0 304.321 3.423 20 10 DGCDRN C[C@@H](NC(=O)NCc1ccc(Cl)nc1)c1ccccc1O ZINC001666905641 1197296900 /nfs/dbraw/zinc/29/69/00/1197296900.db2.gz JCJCXZPPJUDZJT-SNVBAGLBSA-N 0 0 305.765 3.001 20 10 DGCDRN C[C@@H]1CC=CC[C@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001667685666 1197379564 /nfs/dbraw/zinc/37/95/64/1197379564.db2.gz AXWBRFQDTDTAOW-IUODEOHRSA-N 0 0 305.397 3.046 20 10 DGCDRN Cc1cc(NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)ccn1 ZINC001669510674 1197459713 /nfs/dbraw/zinc/45/97/13/1197459713.db2.gz RMAFEGABFVBBNO-UHFFFAOYSA-N 0 0 324.428 3.076 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCc2cc3ccccc3[nH]2)c1 ZINC001672666983 1197619452 /nfs/dbraw/zinc/61/94/52/1197619452.db2.gz SITLOWNHMNCQFY-UHFFFAOYSA-N 0 0 309.369 3.181 20 10 DGCDRN Cc1c(NC(=O)NCc2c(O)cccc2F)cccc1[N+](=O)[O-] ZINC001673047488 1197635899 /nfs/dbraw/zinc/63/58/99/1197635899.db2.gz YWAKWKKRDCGKOT-UHFFFAOYSA-N 0 0 319.292 3.070 20 10 DGCDRN COC(=O)c1cccc(NC(=O)N[C@H](C)c2ccccc2O)c1 ZINC001673325137 1197649624 /nfs/dbraw/zinc/64/96/24/1197649624.db2.gz QEFHAZSSGZFQGK-LLVKDONJSA-N 0 0 314.341 3.062 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1C[C@H](C)[C@H](C)C1 ZINC001673745068 1197689617 /nfs/dbraw/zinc/68/96/17/1197689617.db2.gz RAWAGXTUISJNRZ-OWCLPIDISA-N 0 0 317.477 3.289 20 10 DGCDRN c1cn(-c2ccc(NCc3ccc(N4CCCC4)cc3)cn2)cn1 ZINC000324269180 1197692778 /nfs/dbraw/zinc/69/27/78/1197692778.db2.gz XTGLYUPHDLPENS-UHFFFAOYSA-N 0 0 319.412 3.480 20 10 DGCDRN COc1ccc(CNC(=O)Nc2cncc(C(F)F)c2)c(O)c1 ZINC001673925459 1197707395 /nfs/dbraw/zinc/70/73/95/1197707395.db2.gz OALXLDUYNADTGK-UHFFFAOYSA-N 0 0 323.299 3.055 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CC12CCC2 ZINC001675794262 1198142467 /nfs/dbraw/zinc/14/24/67/1198142467.db2.gz LTYQJDRJFSSYNJ-MRXNPFEDSA-N 0 0 300.402 3.013 20 10 DGCDRN C[C@H](CC1CCC1)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001676247316 1198261120 /nfs/dbraw/zinc/26/11/20/1198261120.db2.gz NVOKVAJEVPZTIU-GFCCVEGCSA-N 0 0 307.413 3.270 20 10 DGCDRN Cc1ccc(CNC(=O)NCc2cccc(Cl)c2O)cc1F ZINC001676298431 1198277992 /nfs/dbraw/zinc/27/79/92/1198277992.db2.gz HLXHZAOHVMSAGX-UHFFFAOYSA-N 0 0 322.767 3.493 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCc2ccc(Cl)s2)c1 ZINC001676630546 1198353060 /nfs/dbraw/zinc/35/30/60/1198353060.db2.gz WSUZMVGVQNSNFJ-UHFFFAOYSA-N 0 0 310.806 3.415 20 10 DGCDRN COCc1ccc(NC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC001677062840 1198471733 /nfs/dbraw/zinc/47/17/33/1198471733.db2.gz IMUINIVQBPZOFN-LBPRGKRZSA-N 0 0 300.358 3.421 20 10 DGCDRN CN1CCCc2cc(CNC(=O)NC3C(C)(C)C3(C)C)ccc21 ZINC001677847662 1198594073 /nfs/dbraw/zinc/59/40/73/1198594073.db2.gz OKKZBNXOCRXEEM-UHFFFAOYSA-N 0 0 315.461 3.303 20 10 DGCDRN CC1(C)C[C@]1(C)CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC001677951259 1198611077 /nfs/dbraw/zinc/61/10/77/1198611077.db2.gz IHNZGKGSIZKVNI-LJQANCHMSA-N 0 0 313.445 3.298 20 10 DGCDRN CC1(C)C[C@]1(C)CNC(=O)NCCCSc1nccs1 ZINC001678876436 1198736387 /nfs/dbraw/zinc/73/63/87/1198736387.db2.gz PTHCTQUHSORDKQ-CQSZACIVSA-N 0 0 313.492 3.361 20 10 DGCDRN CC[C@](C)(NC(=O)NCc1ccc(N(C)C)cc1C)C1CC1 ZINC001678957363 1198744385 /nfs/dbraw/zinc/74/43/85/1198744385.db2.gz YAYRHACKTVUOAZ-SFHVURJKSA-N 0 0 303.450 3.439 20 10 DGCDRN CCC1(CNC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC001679655317 1198813311 /nfs/dbraw/zinc/81/33/11/1198813311.db2.gz TYPFGCXWRQXJFU-OAHLLOKOSA-N 0 0 317.477 3.481 20 10 DGCDRN CCC1(CC)[C@@H](NC(=O)NCc2cc(C)ccc2O)C[C@@H]1OC ZINC001680882767 1198921459 /nfs/dbraw/zinc/92/14/59/1198921459.db2.gz SIAGCMHQFXEBSP-HOTGVXAUSA-N 0 0 320.433 3.094 20 10 DGCDRN CC[C@H]1CCCC[C@H]1CNC(=O)NCc1cccc(OC)c1O ZINC001681591787 1199040561 /nfs/dbraw/zinc/04/05/61/1199040561.db2.gz KNURERYNUPDXRR-KBPBESRZSA-N 0 0 320.433 3.416 20 10 DGCDRN CC[C@H]1CCCC[C@@H]1CNC(=O)NCc1cccc(OC)c1O ZINC001681591789 1199040676 /nfs/dbraw/zinc/04/06/76/1199040676.db2.gz KNURERYNUPDXRR-UONOGXRCSA-N 0 0 320.433 3.416 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001684904310 1199424160 /nfs/dbraw/zinc/42/41/60/1199424160.db2.gz GKXZPTQPNCFOAN-VHRBIJSZSA-N 0 0 308.809 3.424 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC1CC(C)(C)C1 ZINC001686826833 1199592959 /nfs/dbraw/zinc/59/29/59/1199592959.db2.gz QIMLUPRQTMCZGR-AWEZNQCLSA-N 0 0 317.477 3.480 20 10 DGCDRN Cc1cc(F)c(CNC(=O)N2Cc3cccc(O)c3C2)c(F)c1 ZINC001687702219 1199628429 /nfs/dbraw/zinc/62/84/29/1199628429.db2.gz YWUZVGROVTVHKJ-UHFFFAOYSA-N 0 0 318.323 3.204 20 10 DGCDRN Cc1nnc(N(C)Cc2ccccc2O)n1CC1(C(C)C)CC1 ZINC001751882313 1201749535 /nfs/dbraw/zinc/74/95/35/1201749535.db2.gz SJQFWTNOOBJFSI-UHFFFAOYSA-N 0 0 314.433 3.365 20 10 DGCDRN CCCCCNC(=O)N1CCN(c2ccc(OCC)cc2)CC1 ZINC000244163316 1203608625 /nfs/dbraw/zinc/60/86/25/1203608625.db2.gz UZFUVGPTRZSOCN-UHFFFAOYSA-N 0 0 319.449 3.107 20 10 DGCDRN C[C@@H]1CCc2nc(NC(=O)Cc3ccc(N)cc3)sc2C1 ZINC000262627000 1204329203 /nfs/dbraw/zinc/32/92/03/1204329203.db2.gz DRDWJIWIUPPRQC-SNVBAGLBSA-N 0 0 301.415 3.031 20 10 DGCDRN CCc1oc2ccccc2c1C(=O)NCc1ccc(O)c(O)c1 ZINC000182510461 1204342472 /nfs/dbraw/zinc/34/24/72/1204342472.db2.gz KEPYAYUXFVUQDU-UHFFFAOYSA-N 0 0 311.337 3.336 20 10 DGCDRN O=C([O-])[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000321486474 970776818 /nfs/dbraw/zinc/77/68/18/970776818.db2.gz RWRNIAHMUSECMH-GOSISDBHSA-N 0 0 310.397 3.202 20 10 DGCDRN C[N@H+](Cc1ccc(N2CCCCC2)cc1)C(C)(C)CC(=O)[O-] ZINC001334795603 961833417 /nfs/dbraw/zinc/83/34/17/961833417.db2.gz ZXXMRWZFJKNGTJ-UHFFFAOYSA-N 0 0 304.434 3.362 20 10 DGCDRN CC(C)c1ccc(O)c(C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1 ZINC001588968594 962657608 /nfs/dbraw/zinc/65/76/08/962657608.db2.gz MMUHDBBTJVSCOA-JKSUJKDBSA-N 0 0 303.402 3.058 20 10 DGCDRN CCN(C)c1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001603724743 974162578 /nfs/dbraw/zinc/16/25/78/974162578.db2.gz VAXJVXXLQULUAP-QGZVFWFLSA-N 0 0 316.376 3.197 20 10 DGCDRN CC(C)c1ccc(O)c(C[NH2+][C@H](CC(F)(F)F)C(=O)[O-])c1 ZINC001591973916 976581173 /nfs/dbraw/zinc/58/11/73/976581173.db2.gz JOPHUHPAPYFOAI-LLVKDONJSA-N 0 0 305.296 3.011 20 10 DGCDRN CC[C@@]([NH2+]Cc1cc(F)ccc1O)(C(=O)[O-])c1ccccc1 ZINC001595299334 980426743 /nfs/dbraw/zinc/42/67/43/980426743.db2.gz PVRRJGRGAKCSDW-KRWDZBQOSA-N 0 0 303.333 3.011 20 10 DGCDRN CCc1cccc(C[N@@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1O ZINC001597587265 988411167 /nfs/dbraw/zinc/41/11/67/988411167.db2.gz VGYKBUHEDHLLPH-HNNXBMFYSA-N 0 0 305.418 3.277 20 10 DGCDRN CN1CCCc2cc(C[NH2+]Cc3csc(C(=O)[O-])c3)ccc21 ZINC001598603414 993601187 /nfs/dbraw/zinc/60/11/87/993601187.db2.gz ILDWFOMVQYQVJD-UHFFFAOYSA-N 0 0 316.426 3.119 20 10 DGCDRN CC(C)n1cc([C@H](C)[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)cn1 ZINC001593197405 994162651 /nfs/dbraw/zinc/16/26/51/994162651.db2.gz JVPVOMOMWSTOBB-RYUDHWBXSA-N 0 0 317.389 3.280 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1CC12CCSCC2)c1cc(C(=O)[O-])ccc1O ZINC001593252042 994501386 /nfs/dbraw/zinc/50/13/86/994501386.db2.gz MNLSEOIZVSQRDQ-DGCLKSJQSA-N 0 0 321.442 3.274 20 10 DGCDRN C[C@H]([NH2+]CCCSc1nccs1)c1cncc(C(=O)[O-])c1 ZINC001593268920 994595760 /nfs/dbraw/zinc/59/57/60/994595760.db2.gz WYULLLWIMFTEOU-JTQLQIEISA-N 0 0 323.443 3.069 20 10 DGCDRN C[C@H]([NH2+]CCc1c(F)cccc1F)c1cc(C(=O)[O-])ccc1O ZINC001593272756 994613674 /nfs/dbraw/zinc/61/36/74/994613674.db2.gz BBWHFEDCMPOCFQ-JTQLQIEISA-N 0 0 321.323 3.262 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(F)cc1F)c1cc(C(=O)[O-])ccc1O ZINC001593299297 994720968 /nfs/dbraw/zinc/72/09/68/994720968.db2.gz RBWOSPULSOGHFX-SECBINFHSA-N 0 0 307.296 3.219 20 10 DGCDRN COc1cc(C)cc(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)c1 ZINC001599392696 997066895 /nfs/dbraw/zinc/06/68/95/997066895.db2.gz SKORFMURTNYGDQ-GFCCVEGCSA-N 0 0 315.369 3.258 20 10 DGCDRN CC[C@@H]1COCCN1Cc1cc(Br)c(C)cc1O ZINC001237682354 1090317024 /nfs/dbraw/zinc/31/70/24/1090317024.db2.gz RCZMIYHMDPBGDG-GFCCVEGCSA-N 0 0 314.223 3.074 20 10 DGCDRN C[C@@]1(O)CCCC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237078528 1099959862 /nfs/dbraw/zinc/95/98/62/1099959862.db2.gz UGYLDMXWPGFROL-CQSZACIVSA-N 0 0 304.217 3.436 20 10 DGCDRN Cc1ccc(-c2nnco2)cc1NC(=O)C1=CC(=O)CS1 ZINC001625833683 1081711328 /nfs/dbraw/zinc/71/13/28/1081711328.db2.gz SSTSEWMTMRNLAB-UHFFFAOYSA-N 0 0 301.327 3.064 20 10 DGCDRN CCC1(NC(=O)OC(C)(C)C)CN(Cc2cc(F)ccc2O)C1 ZINC001140060282 1081778011 /nfs/dbraw/zinc/77/80/11/1081778011.db2.gz TUBRBVWDMPFSPQ-UHFFFAOYSA-N 0 0 324.396 3.020 20 10 DGCDRN COC(=O)c1ccc(F)c(F)c1Nc1ccc2c(c1)OCCN2 ZINC001209766315 1081791791 /nfs/dbraw/zinc/79/17/91/1081791791.db2.gz NZPSMKWTLCRQBD-UHFFFAOYSA-N 0 0 320.295 3.299 20 10 DGCDRN Oc1ccc(CNc2cc(OCc3ccccc3)ncn2)cc1O ZINC001169991045 1081792776 /nfs/dbraw/zinc/79/27/76/1081792776.db2.gz WYXDDLZVCZIEMU-UHFFFAOYSA-N 0 0 323.352 3.079 20 10 DGCDRN COC(=O)c1cc(NCc2ccc(O)c(O)c2)nc2ccccc21 ZINC001169990856 1081793929 /nfs/dbraw/zinc/79/39/29/1081793929.db2.gz RVDAPJGXQUQYNO-UHFFFAOYSA-N 0 0 324.336 3.045 20 10 DGCDRN COc1cc(C(F)(F)F)cc(NCc2ccc(O)c(O)c2)n1 ZINC001169992694 1081795763 /nfs/dbraw/zinc/79/57/63/1081795763.db2.gz AWIBLAFCCHVAQC-UHFFFAOYSA-N 0 0 314.263 3.132 20 10 DGCDRN O=[N+]([O-])c1ccc(NCc2ccc(O)c(O)c2)c2ccncc21 ZINC001169992671 1081795803 /nfs/dbraw/zinc/79/58/03/1081795803.db2.gz KIUGXJVDLQRRIE-UHFFFAOYSA-N 0 0 311.297 3.166 20 10 DGCDRN Oc1ccc(CNc2nc(Cl)ncc2C(F)(F)F)cc1O ZINC001169993987 1081811701 /nfs/dbraw/zinc/81/17/01/1081811701.db2.gz WQLCZTCLKZBRQD-UHFFFAOYSA-N 0 0 319.670 3.172 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000691476182 1081867887 /nfs/dbraw/zinc/86/78/87/1081867887.db2.gz IKTZASICDGLRLA-AAEUAGOBSA-N 0 0 302.201 3.356 20 10 DGCDRN COC(=O)Nc1cccc(NCc2cc(F)cc(F)c2O)c1 ZINC001648870135 1081950716 /nfs/dbraw/zinc/95/07/16/1081950716.db2.gz VCFMESBTHWLTJQ-UHFFFAOYSA-N 0 0 308.284 3.461 20 10 DGCDRN COC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1O ZINC001648890021 1081953892 /nfs/dbraw/zinc/95/38/92/1081953892.db2.gz WKISGKYSNIZKSC-LLVKDONJSA-N 0 0 314.341 3.062 20 10 DGCDRN C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1O ZINC001648889571 1081953949 /nfs/dbraw/zinc/95/39/49/1081953949.db2.gz BRRLKYCFDPWIOO-GFCCVEGCSA-N 0 0 314.341 3.110 20 10 DGCDRN C[C@H](NC(=O)c1ccc(OC(C)(C)C)cn1)c1ccccc1O ZINC001648892364 1081955640 /nfs/dbraw/zinc/95/56/40/1081955640.db2.gz XKWBDDZQSZOJJU-LBPRGKRZSA-N 0 0 314.385 3.456 20 10 DGCDRN C/C(=C\c1cccnc1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001125469664 1082105323 /nfs/dbraw/zinc/10/53/23/1082105323.db2.gz XNBSYOFPKKELDS-UKTHLTGXSA-N 0 0 313.376 3.006 20 10 DGCDRN C/C(=C/c1ccccc1Cl)C(=O)NCc1ccc(O)c(O)c1 ZINC000588401157 1082142532 /nfs/dbraw/zinc/14/25/32/1082142532.db2.gz PKADOPHQEWBVBU-FLIBITNWSA-N 0 0 317.772 3.471 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCCc2cc(F)ccc21 ZINC000588404008 1082147492 /nfs/dbraw/zinc/14/74/92/1082147492.db2.gz UVRVCXDXQXBSOZ-YWEYNIOJSA-N 0 0 313.328 3.230 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@@H]1c1ccccc1 ZINC000588405324 1082150254 /nfs/dbraw/zinc/15/02/54/1082150254.db2.gz AVMPAVKQCNLPLQ-HGPCXVNDSA-N 0 0 309.365 3.475 20 10 DGCDRN C[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)Cc1cccs1 ZINC000588406657 1082151559 /nfs/dbraw/zinc/15/15/59/1082151559.db2.gz WUFUYOHHJLUMAK-HWPRWLFBSA-N 0 0 317.410 3.168 20 10 DGCDRN COc1cc(F)c(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1F ZINC000588407809 1082162050 /nfs/dbraw/zinc/16/20/50/1082162050.db2.gz YNEUHDBPHXRXNU-HYXAFXHYSA-N 0 0 321.279 3.037 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(Nc2[nH]c(=O)nc3nc[nH]c32)cc1 ZINC001170233337 1082321496 /nfs/dbraw/zinc/32/14/96/1082321496.db2.gz OEHKYMCYUNAXTG-UHFFFAOYSA-N 0 0 320.356 3.210 20 10 DGCDRN Cc1cc(CNC(=O)/C=C\c2ccc(O)c(O)c2)ccc1Cl ZINC000588449737 1082324104 /nfs/dbraw/zinc/32/41/04/1082324104.db2.gz CFKBICXBPNMKMN-DAXSKMNVSA-N 0 0 317.772 3.389 20 10 DGCDRN Cc1cn(C)c2ccc(NCC(=O)c3ccc(O)c(O)c3)cc12 ZINC001170320943 1082344778 /nfs/dbraw/zinc/34/47/78/1082344778.db2.gz QPYVRBWJJZQPBU-UHFFFAOYSA-N 0 0 310.353 3.193 20 10 DGCDRN CC[C@@H]1Cc2ccccc2CN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588479720 1082428507 /nfs/dbraw/zinc/42/85/07/1082428507.db2.gz AAIGUJGACKAVFZ-SECOEOQKSA-N 0 0 323.392 3.475 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C=C\c2scnc2C)c1 ZINC000588522292 1082545213 /nfs/dbraw/zinc/54/52/13/1082545213.db2.gz JAZALMAKLDZMRS-JYESYGNLSA-N 0 0 318.398 3.056 20 10 DGCDRN O=C(/C=C\c1cncc(F)c1)N1CCN(C2CC2)c2ccccc21 ZINC000588527800 1082563855 /nfs/dbraw/zinc/56/38/55/1082563855.db2.gz SZQRDVKAUJLYCX-YVMONPNESA-N 0 0 323.371 3.250 20 10 DGCDRN C/C(=C/C(=O)N(C)c1cccc2ncccc21)c1cnccn1 ZINC001267368549 1082837862 /nfs/dbraw/zinc/83/78/62/1082837862.db2.gz TWAVOLYDEXLIHL-QBFSEMIESA-N 0 0 304.353 3.091 20 10 DGCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2[O-])C[C@H](C)O1 ZINC000694798847 1083136593 /nfs/dbraw/zinc/13/65/93/1083136593.db2.gz BMMPJZFINXTFIA-PEGIJTEDSA-N 0 0 314.223 3.200 20 10 DGCDRN CCOC(=O)C[C@H]1CC[C@H](Nc2c(N)cccc2OC)CC1 ZINC001170703014 1083180255 /nfs/dbraw/zinc/18/02/55/1083180255.db2.gz YJWLCIOXKLHWNY-JOCQHMNTSA-N 0 0 306.406 3.201 20 10 DGCDRN CC1(C)OC[C@@H](CN2CCCc3cc(OC(F)F)ccc32)O1 ZINC001167717192 1083246312 /nfs/dbraw/zinc/24/63/12/1083246312.db2.gz MZPJSQVILDVIJG-CYBMUJFWSA-N 0 0 313.344 3.192 20 10 DGCDRN Cc1cccc2oc(CC[NH2+]Cc3cc(F)c(F)cc3[O-])nc21 ZINC001181175931 1083423265 /nfs/dbraw/zinc/42/32/65/1083423265.db2.gz WFAKHJLDJXKVSA-UHFFFAOYSA-N 0 0 318.323 3.452 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]CCc1cccc2[nH]ccc21 ZINC001181195673 1083427448 /nfs/dbraw/zinc/42/74/48/1083427448.db2.gz CFLBUQWMTSIABD-UHFFFAOYSA-N 0 0 302.324 3.484 20 10 DGCDRN [O-]c1cc(Cl)ccc1C[NH2+][C@H]1CCO[C@@H](c2ccncc2)C1 ZINC001181845335 1083557252 /nfs/dbraw/zinc/55/72/52/1083557252.db2.gz UBULGKAUIPUIRZ-DOTOQJQBSA-N 0 0 318.804 3.451 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@H]1CCC(=O)C1 ZINC001181904826 1083577359 /nfs/dbraw/zinc/57/73/59/1083577359.db2.gz MTBJXKLGOHMQGJ-SJCJKPOMSA-N 0 0 315.413 3.118 20 10 DGCDRN Cc1cc(C)c(NC(=O)NCc2ccc(O)cc2O)c(C)c1 ZINC001182038193 1083610627 /nfs/dbraw/zinc/61/06/27/1083610627.db2.gz NJEZTMRPOKJPLX-UHFFFAOYSA-N 0 0 300.358 3.345 20 10 DGCDRN C[C@@H]1CN(Cc2cc(F)c(F)cc2O)Cc2ccccc2O1 ZINC001182129658 1083626147 /nfs/dbraw/zinc/62/61/47/1083626147.db2.gz ZBLWVLSOVNIMBD-LLVKDONJSA-N 0 0 305.324 3.454 20 10 DGCDRN Cc1cc(C)c(CNC(=O)[C@]2(C)CC2(Cl)Cl)c(O)c1 ZINC001182141287 1083631910 /nfs/dbraw/zinc/63/19/10/1083631910.db2.gz CIVQCTKEVKEECQ-ZDUSSCGKSA-N 0 0 302.201 3.209 20 10 DGCDRN C[C@@H]1c2ccccc2CCN1C(=O)CCc1ccc(O)c(O)c1 ZINC001182153944 1083634818 /nfs/dbraw/zinc/63/48/18/1083634818.db2.gz QZNDTTHNCPDFGO-CYBMUJFWSA-N 0 0 311.381 3.176 20 10 DGCDRN O=C(CCc1ccc(O)c(O)c1)NCc1sccc1Cl ZINC001182157372 1083636114 /nfs/dbraw/zinc/63/61/14/1083636114.db2.gz NYGWGCRSRGGJRW-UHFFFAOYSA-N 0 0 311.790 3.062 20 10 DGCDRN COc1cccc(NCc2cc(Br)cc(C)c2O)n1 ZINC001182835500 1083816253 /nfs/dbraw/zinc/81/62/53/1083816253.db2.gz RDFVZXGJRHPGGI-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN Cc1ccc(NC2=NC(=O)C(=Cc3cnn(C)c3)S2)c(C)c1 ZINC000208307950 1083916773 /nfs/dbraw/zinc/91/67/73/1083916773.db2.gz TUWXPRLAZJOTHX-AUWJEWJLSA-N 0 0 312.398 3.119 20 10 DGCDRN Oc1cccc2c1CN(Cc1cnc(-c3ccncc3)s1)C2 ZINC001183454795 1083951641 /nfs/dbraw/zinc/95/16/41/1083951641.db2.gz OBVUVFBOYZTZID-UHFFFAOYSA-N 0 0 309.394 3.427 20 10 DGCDRN C[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@@H]1O ZINC001203574488 1084000262 /nfs/dbraw/zinc/00/02/62/1084000262.db2.gz YEYMGQDYJYDBCN-ZANVPECISA-N 0 0 304.217 3.292 20 10 DGCDRN CCOc1ccc(CC[NH2+]Cc2ccc(F)c(F)c2[O-])cc1 ZINC001184143610 1084105551 /nfs/dbraw/zinc/10/55/51/1084105551.db2.gz UZKVSYIJMGWRFO-UHFFFAOYSA-N 0 0 307.340 3.401 20 10 DGCDRN Cc1c(Cl)cccc1NC(=O)NCc1ccc(O)cc1O ZINC001184697632 1084242790 /nfs/dbraw/zinc/24/27/90/1084242790.db2.gz RIUSWLDWOOMCNR-UHFFFAOYSA-N 0 0 306.749 3.381 20 10 DGCDRN CN(C)c1ccc([C@@H](O)c2nc(-c3ccc(F)cc3)no2)cc1 ZINC001211704164 1084283243 /nfs/dbraw/zinc/28/32/43/1084283243.db2.gz OVVVJRNDQGLBRM-OAHLLOKOSA-N 0 0 313.332 3.023 20 10 DGCDRN Cc1cc(O)cc(C)c1NS(=O)(=O)c1cccc(F)c1C ZINC001185835971 1084536021 /nfs/dbraw/zinc/53/60/21/1084536021.db2.gz AAWAMOWDDPUJRJ-UHFFFAOYSA-N 0 0 309.362 3.257 20 10 DGCDRN CCN(Cc1ccccc1O)C(=O)NCc1ccccc1OC ZINC001186121691 1084594526 /nfs/dbraw/zinc/59/45/26/1084594526.db2.gz WLESGVJQZPEKCG-UHFFFAOYSA-N 0 0 314.385 3.133 20 10 DGCDRN C[C@H]1C[C@@H](CF)N(Cc2cc(Br)ccc2O)C1 ZINC001203635916 1084630937 /nfs/dbraw/zinc/63/09/37/1084630937.db2.gz LCGSADCOVBQNLC-CABZTGNLSA-N 0 0 302.187 3.335 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)NCC1CC1 ZINC001186644493 1084683923 /nfs/dbraw/zinc/68/39/23/1084683923.db2.gz XFDKJPJSIXQJHS-INIZCTEOSA-N 0 0 302.418 3.342 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(O)c(C(=O)NCc2cc[nH]c2)c1 ZINC001186847806 1084706174 /nfs/dbraw/zinc/70/61/74/1084706174.db2.gz BDLBNTLRDPDFPT-UHFFFAOYSA-N 0 0 309.369 3.058 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(O)c(C(=O)Nc2ncn(C)c2C)c1 ZINC001186829224 1084710283 /nfs/dbraw/zinc/71/02/83/1084710283.db2.gz KEWVTGWUDFNBGP-UHFFFAOYSA-N 0 0 324.384 3.094 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(O)c(C(=O)Nc2cnc(C)nc2)c1 ZINC001186829431 1084711539 /nfs/dbraw/zinc/71/15/39/1084711539.db2.gz LZXLNOZSHHMXTA-UHFFFAOYSA-N 0 0 322.368 3.150 20 10 DGCDRN Cc1ccnc2cc(NCCc3cc(O)c(O)cc3O)ccc12 ZINC001168005433 1086148383 /nfs/dbraw/zinc/14/83/83/1086148383.db2.gz HBZDPFSTPZQPGZ-UHFFFAOYSA-N 0 0 310.353 3.315 20 10 DGCDRN CCCCC1(C(=O)N2CCOc3cc(N(C)C)ccc32)CC1 ZINC001126522756 1086174410 /nfs/dbraw/zinc/17/44/10/1086174410.db2.gz HOEVAFXISDWMOH-UHFFFAOYSA-N 0 0 302.418 3.448 20 10 DGCDRN CC(C)(C)c1ccnc(NCCc2cc(O)c(O)cc2O)c1 ZINC001168013363 1086251869 /nfs/dbraw/zinc/25/18/69/1086251869.db2.gz FOLUOQZFQJEUNF-UHFFFAOYSA-N 0 0 302.374 3.151 20 10 DGCDRN COc1ncc(/C=C\C(=O)N(CC2CC2)c2ccc(C)cc2)cn1 ZINC001625992317 1087276488 /nfs/dbraw/zinc/27/64/88/1087276488.db2.gz VUOSNNVUIVCSNN-YFHOEESVSA-N 0 0 323.396 3.250 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001142525127 1087277411 /nfs/dbraw/zinc/27/74/11/1087277411.db2.gz YNQLDGSKLRPFRH-CQSZACIVSA-N 0 0 304.340 3.273 20 10 DGCDRN Oc1cccc(Cl)c1CN1CCO[C@H](CC(F)(F)F)C1 ZINC000698222300 1087547334 /nfs/dbraw/zinc/54/73/34/1087547334.db2.gz SNQLVUSFBNFLNV-SECBINFHSA-N 0 0 309.715 3.199 20 10 DGCDRN Oc1cccc(Cl)c1CN1CCO[C@@H](CC(F)(F)F)C1 ZINC000698222303 1087547375 /nfs/dbraw/zinc/54/73/75/1087547375.db2.gz SNQLVUSFBNFLNV-VIFPVBQESA-N 0 0 309.715 3.199 20 10 DGCDRN COc1cc(O)c(CN2CC[C@](C)(F)[C@H](F)C2)cc1Cl ZINC001232267104 1087588642 /nfs/dbraw/zinc/58/86/42/1087588642.db2.gz WJGINZJBLOHJAD-KGLIPLIRSA-N 0 0 305.752 3.326 20 10 DGCDRN CCCCCN(CCCOC)C(=O)NCc1ccc(N)cc1 ZINC001120677898 1087606778 /nfs/dbraw/zinc/60/67/78/1087606778.db2.gz ZSFSMKZGJBQITA-UHFFFAOYSA-N 0 0 307.438 3.007 20 10 DGCDRN CN(C)c1ccc(CN2CC(F)(F)C[C@]2(C)CF)c(O)c1 ZINC001232835982 1087627130 /nfs/dbraw/zinc/62/71/30/1087627130.db2.gz JKRLVYOLCDFSST-CQSZACIVSA-N 0 0 302.340 3.027 20 10 DGCDRN C[C@@H](Oc1cccc(F)c1)C(=O)N[C@@H](C)c1ccccc1O ZINC001151892231 1087815250 /nfs/dbraw/zinc/81/52/50/1087815250.db2.gz MASYXKKCIVSBQB-NWDGAFQWSA-N 0 0 303.333 3.176 20 10 DGCDRN COc1nc(C(=O)N2Cc3cccc(O)c3C2)cc2ccccc21 ZINC001152565474 1088002949 /nfs/dbraw/zinc/00/29/49/1088002949.db2.gz MIVJZLYVQLOTSH-UHFFFAOYSA-N 0 0 320.348 3.105 20 10 DGCDRN O=C(c1ccc(Cn2cccc2)cc1)N1Cc2cccc(O)c2C1 ZINC001152572670 1088006797 /nfs/dbraw/zinc/00/67/97/1088006797.db2.gz FHWCGMAYPHHKED-UHFFFAOYSA-N 0 0 318.376 3.398 20 10 DGCDRN Oc1ccc(CNc2cc3nccc(Cl)c3cn2)cc1O ZINC001158995557 1088125715 /nfs/dbraw/zinc/12/57/15/1088125715.db2.gz JVPGSLLXJLQBLC-UHFFFAOYSA-N 0 0 301.733 3.307 20 10 DGCDRN Oc1ccc(CNc2nc3ccccc3nc2Cl)cc1O ZINC001158995761 1088126480 /nfs/dbraw/zinc/12/64/80/1088126480.db2.gz OPZVMBSLUZIQPQ-UHFFFAOYSA-N 0 0 301.733 3.307 20 10 DGCDRN CCCSc1ncnc(NCc2ccc(O)c(O)c2)c1OC ZINC001159005806 1088135390 /nfs/dbraw/zinc/13/53/90/1088135390.db2.gz RGZNPOSVMWDMEC-UHFFFAOYSA-N 0 0 321.402 3.011 20 10 DGCDRN CCOC(=O)c1cnn(-c2ccccc2)c1Nc1ccc(N)cc1 ZINC001159200328 1088233925 /nfs/dbraw/zinc/23/39/25/1088233925.db2.gz CIBGKEZYHKMRKH-UHFFFAOYSA-N 0 0 322.368 3.375 20 10 DGCDRN CCOC(=O)c1ccc2nccc(Nc3ccc(N)cc3)c2c1 ZINC001159303736 1088279437 /nfs/dbraw/zinc/27/94/37/1088279437.db2.gz IYURTCMGQYTQHH-UHFFFAOYSA-N 0 0 307.353 3.159 20 10 DGCDRN CC(C)(C)c1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)n[nH]1 ZINC001159706621 1088455768 /nfs/dbraw/zinc/45/57/68/1088455768.db2.gz RAZUDJMYSGITPY-UHFFFAOYSA-N 0 0 314.349 3.122 20 10 DGCDRN CCc1nccnc1NCc1cc(Br)ccc1O ZINC001160012868 1088602814 /nfs/dbraw/zinc/60/28/14/1088602814.db2.gz VUZZAPHJUAWTGP-UHFFFAOYSA-N 0 0 308.179 3.119 20 10 DGCDRN CCOC(=O)c1cc(OC)c(OC)cc1Nc1ccc(N)cc1 ZINC001160241324 1088717424 /nfs/dbraw/zinc/71/74/24/1088717424.db2.gz DNFIEUYFNPZOPT-UHFFFAOYSA-N 0 0 316.357 3.206 20 10 DGCDRN CCN(Cc1ccccc1O)c1cc(-c2ccncc2)ncn1 ZINC001154890857 1088813339 /nfs/dbraw/zinc/81/33/39/1088813339.db2.gz SGXHVBRJJFLLTR-UHFFFAOYSA-N 0 0 306.369 3.271 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@H](O)[C@@H]2C)cc1 ZINC001155251618 1089027887 /nfs/dbraw/zinc/02/78/87/1089027887.db2.gz TXJBJOZXYJUQSQ-YJBOKZPZSA-N 0 0 312.413 3.080 20 10 DGCDRN O=c1cc(Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc[nH]1 ZINC001212273681 1089146422 /nfs/dbraw/zinc/14/64/22/1089146422.db2.gz JBEPLBASSWQIPF-UHFFFAOYSA-N 0 0 316.316 3.306 20 10 DGCDRN Cc1cc(CC(=O)N[C@@H](C)c2ncc[nH]2)c(C)n1-c1ccccc1 ZINC001161370898 1089213721 /nfs/dbraw/zinc/21/37/21/1089213721.db2.gz ABVDKFCMDAUESV-AWEZNQCLSA-N 0 0 322.412 3.237 20 10 DGCDRN Cc1cc(N2CCCc3cc(O)c(O)cc3C2)nc2[nH]ccc21 ZINC001155945033 1089308516 /nfs/dbraw/zinc/30/85/16/1089308516.db2.gz QMOBWWUKEFKVCD-UHFFFAOYSA-N 0 0 309.369 3.235 20 10 DGCDRN CC(C)COc1ccc(C(=O)NCc2c(O)cccc2F)cc1 ZINC001156170002 1089416165 /nfs/dbraw/zinc/41/61/65/1089416165.db2.gz BHWXZXYAIOMMSJ-UHFFFAOYSA-N 0 0 317.360 3.496 20 10 DGCDRN Cc1ccnc2ccc(C(=O)NCc3c(O)cccc3F)cc12 ZINC001156171191 1089416732 /nfs/dbraw/zinc/41/67/32/1089416732.db2.gz XNNRZPSGLNIRBB-UHFFFAOYSA-N 0 0 310.328 3.318 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001156177502 1089421067 /nfs/dbraw/zinc/42/10/67/1089421067.db2.gz IQMMXBCRAMOWJE-NWDGAFQWSA-N 0 0 321.298 3.229 20 10 DGCDRN CC[C@H](C(=O)NCc1ccc(O)cc1O)c1ccc(F)cc1 ZINC001162278295 1089650963 /nfs/dbraw/zinc/65/09/63/1089650963.db2.gz GKVOTFPTBSUDFH-HNNXBMFYSA-N 0 0 303.333 3.047 20 10 DGCDRN O=C(Cc1ccc2ccccc2c1)NCc1c(O)cccc1O ZINC001156880768 1089730377 /nfs/dbraw/zinc/73/03/77/1089730377.db2.gz AHSWRFVUZINVIC-UHFFFAOYSA-N 0 0 307.349 3.110 20 10 DGCDRN CN(C)c1ccc(CN(C)c2cnc(-c3ccco3)cn2)cc1 ZINC001156924037 1089745742 /nfs/dbraw/zinc/74/57/42/1089745742.db2.gz LYICYFCVMSONKY-UHFFFAOYSA-N 0 0 308.385 3.439 20 10 DGCDRN C[C@H]1CCc2nnc(N(C)Cc3ccc(N(C)C)cc3)cc2C1 ZINC001156928810 1089752407 /nfs/dbraw/zinc/75/24/07/1089752407.db2.gz WCIPGOPECHGAFM-AWEZNQCLSA-N 0 0 310.445 3.304 20 10 DGCDRN Oc1cc(O)c(CCNc2cc(Cl)cc(Cl)n2)cc1O ZINC001157240489 1089890539 /nfs/dbraw/zinc/89/05/39/1089890539.db2.gz ZOHMXLSJOOJOFE-UHFFFAOYSA-N 0 0 315.156 3.160 20 10 DGCDRN CSc1nc2ncnc(NCc3ccc(N)cc3)c2s1 ZINC001162785561 1089955455 /nfs/dbraw/zinc/95/54/55/1089955455.db2.gz GXCOPSSHEFNAJX-UHFFFAOYSA-N 0 0 303.416 3.003 20 10 DGCDRN C[C@@H]1CCCN(C(=O)c2ccc(NCc3ccc(N)cc3)nc2)C1 ZINC001162786974 1089956480 /nfs/dbraw/zinc/95/64/80/1089956480.db2.gz DMSBRKYTPLQFQZ-CQSZACIVSA-N 0 0 324.428 3.148 20 10 DGCDRN CN(C)c1ccc(-c2ccnc(NCc3ccc(N)cc3)n2)cc1 ZINC001162787375 1089956871 /nfs/dbraw/zinc/95/68/71/1089956871.db2.gz JVXXFAIXCOBCKU-UHFFFAOYSA-N 0 0 319.412 3.404 20 10 DGCDRN COc1cncnc1NCc1cc(Cl)c2cccnc2c1O ZINC001157724704 1090088107 /nfs/dbraw/zinc/08/81/07/1090088107.db2.gz UDOSRDNAVOHDDF-UHFFFAOYSA-N 0 0 316.748 3.005 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1cc2ncccc2o1 ZINC001165507182 1090526814 /nfs/dbraw/zinc/52/68/14/1090526814.db2.gz BLLUUOOZWKSCLN-UHFFFAOYSA-N 0 0 302.717 3.117 20 10 DGCDRN CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(C)cc1O ZINC001272766613 1090562889 /nfs/dbraw/zinc/56/28/89/1090562889.db2.gz RQMAAURQYXUNGK-IAGOWNOFSA-N 0 0 316.445 3.066 20 10 DGCDRN Clc1ccnc2cccc(-c3noc(-c4csnn4)n3)c12 ZINC001212364429 1090578797 /nfs/dbraw/zinc/57/87/97/1090578797.db2.gz PAIYDLXBBSFNTK-UHFFFAOYSA-N 0 0 315.745 3.457 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCCC2(COC2)C1 ZINC001203574536 1090759696 /nfs/dbraw/zinc/75/96/96/1090759696.db2.gz ZWHNIWNLBDOKQV-UHFFFAOYSA-N 0 0 302.201 3.311 20 10 DGCDRN COc1cccc(CN2CCc3ncc(Cl)cc3C2)c1O ZINC001203600155 1090765230 /nfs/dbraw/zinc/76/52/30/1090765230.db2.gz TUQHBMKMVHKJAZ-UHFFFAOYSA-N 0 0 304.777 3.008 20 10 DGCDRN C[C@@]1(F)CCN(Cc2cc(Br)ccc2O)C[C@H]1F ZINC001203636603 1090771239 /nfs/dbraw/zinc/77/12/39/1090771239.db2.gz YFYPSVCFFSSSLG-CHWSQXEVSA-N 0 0 320.177 3.427 20 10 DGCDRN Oc1ccc(CN(Cc2cccnc2)Cc2ccccn2)cc1O ZINC001203878711 1090825591 /nfs/dbraw/zinc/82/55/91/1090825591.db2.gz KMZGVWJYUMRSTA-UHFFFAOYSA-N 0 0 321.380 3.090 20 10 DGCDRN CCOC(=O)[C@@]12C[C@@H]1CCN2Cc1ccc(N(CC)CC)cc1 ZINC001203940615 1090845631 /nfs/dbraw/zinc/84/56/31/1090845631.db2.gz RJHAQPACUGEHQI-QFBILLFUSA-N 0 0 316.445 3.060 20 10 DGCDRN Cc1noc([C@@H]2CCCN2Cc2ccc(N3CCCC3)cc2)n1 ZINC001204320918 1090948241 /nfs/dbraw/zinc/94/82/41/1090948241.db2.gz DNYLYAQUTCCCII-KRWDZBQOSA-N 0 0 312.417 3.315 20 10 DGCDRN CCN(Cc1cc(O)c(O)c(OC)c1)Cc1cccc(F)c1F ZINC001204348655 1090952903 /nfs/dbraw/zinc/95/29/03/1090952903.db2.gz HBCOBKCEFXTZPF-UHFFFAOYSA-N 0 0 323.339 3.407 20 10 DGCDRN Cc1nc(Cl)ccc1NC(=O)NCc1c(O)cccc1F ZINC001204503104 1090984867 /nfs/dbraw/zinc/98/48/67/1090984867.db2.gz AYJYVINUXDNETD-UHFFFAOYSA-N 0 0 309.728 3.210 20 10 DGCDRN Cc1cc(O)c(C[N@H+](CCO)CCc2ccccc2)c(Cl)c1 ZINC001204807250 1091039887 /nfs/dbraw/zinc/03/98/87/1091039887.db2.gz JNFCZWZZRDKZFV-UHFFFAOYSA-N 0 0 319.832 3.391 20 10 DGCDRN CCOC(=O)C1(NCc2ccc(N(C)C)c(C)c2)CCCC1 ZINC001117746239 1091051709 /nfs/dbraw/zinc/05/17/09/1091051709.db2.gz TUMXDEGUMTUFPI-UHFFFAOYSA-N 0 0 304.434 3.027 20 10 DGCDRN Cc1noc([C@@H]2CCCN2Cc2ccc3c(c2)CCCN3C)n1 ZINC001138355790 1091150715 /nfs/dbraw/zinc/15/07/15/1091150715.db2.gz CVYLQKLRJNVGIM-KRWDZBQOSA-N 0 0 312.417 3.098 20 10 DGCDRN CCOC(=O)CN(C/C=C/c1ccc(N(C)C)cc1)C1CCC1 ZINC001205276795 1091160841 /nfs/dbraw/zinc/16/08/41/1091160841.db2.gz MCIFAXJLDDAXFQ-VOTSOKGWSA-N 0 0 316.445 3.183 20 10 DGCDRN COC(=O)c1[nH]c(CN2CCCc3cc(OC)ccc32)cc1C ZINC001205327347 1091187176 /nfs/dbraw/zinc/18/71/76/1091187176.db2.gz GLYJNDAFZKNTAB-UHFFFAOYSA-N 0 0 314.385 3.071 20 10 DGCDRN COC(=O)[C@H]1CCCCCN1C/C=C\c1ccc(N(C)C)cc1 ZINC001205346978 1091194646 /nfs/dbraw/zinc/19/46/46/1091194646.db2.gz INGLEUBEVIADAS-JTHGQSKGSA-N 0 0 316.445 3.183 20 10 DGCDRN COc1ccc(N(C)CCN(C)c2nc(Cl)cs2)cc1 ZINC001307157270 1091208943 /nfs/dbraw/zinc/20/89/43/1091208943.db2.gz AOVYNMOQABNVFG-UHFFFAOYSA-N 0 0 311.838 3.378 20 10 DGCDRN COC(=O)C1(C[NH2+]Cc2c(O)cc(C)cc2Cl)CCCC1 ZINC001205389224 1091209134 /nfs/dbraw/zinc/20/91/34/1091209134.db2.gz WUSXUYQDLTZTJO-UHFFFAOYSA-N 0 0 311.809 3.177 20 10 DGCDRN Cc1cc(O)c(CN[C@@H](C)C(=O)OC2CCCC2)cc1Cl ZINC001205471642 1091228904 /nfs/dbraw/zinc/22/89/04/1091228904.db2.gz PBEQUCQOWBRGEQ-NSHDSACASA-N 0 0 311.809 3.318 20 10 DGCDRN C[C@@H](Cc1cccs1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001294431575 1091393723 /nfs/dbraw/zinc/39/37/23/1091393723.db2.gz MRRYWGMRNJJXHO-WMADIVHISA-N 0 0 317.410 3.262 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2nc(C)c(C)[nH]2)cc1 ZINC001294516304 1091407180 /nfs/dbraw/zinc/40/71/80/1091407180.db2.gz WBSYSZRLAXLPOR-UHFFFAOYSA-N 0 0 322.412 3.364 20 10 DGCDRN Cc1conc1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001294671826 1091426431 /nfs/dbraw/zinc/42/64/31/1091426431.db2.gz LVFDGMRYWILJTN-UHFFFAOYSA-N 0 0 312.325 3.124 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CC2(C1)CC(F)(F)C2 ZINC001139126722 1091456965 /nfs/dbraw/zinc/45/69/65/1091456965.db2.gz NZDUSJZGJIQHRM-UHFFFAOYSA-N 0 0 321.323 3.038 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCC[C@@H](C)[C@H]1C ZINC001139129129 1091459214 /nfs/dbraw/zinc/45/92/14/1091459214.db2.gz NTMWDGTZGQYQKB-DGCLKSJQSA-N 0 0 301.386 3.427 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2coc(C)n2)C1 ZINC001206073808 1091479983 /nfs/dbraw/zinc/47/99/83/1091479983.db2.gz DWIAZAJNSROGMP-UHFFFAOYSA-N 0 0 311.385 3.042 20 10 DGCDRN Oc1cccc2c1CN(Cc1cncc(Br)c1)CC2 ZINC001206133555 1091505692 /nfs/dbraw/zinc/50/56/92/1091505692.db2.gz VEGLDLIOTBAVFB-UHFFFAOYSA-N 0 0 319.202 3.108 20 10 DGCDRN C[N@H+](CCC(=O)c1ccccc1)Cc1c(F)ccc(F)c1[O-] ZINC001139683624 1091641366 /nfs/dbraw/zinc/64/13/66/1091641366.db2.gz OXHZQCHNWBMIHG-UHFFFAOYSA-N 0 0 305.324 3.375 20 10 DGCDRN C[N@H+](CCC(=O)c1cccs1)Cc1c(F)ccc(F)c1[O-] ZINC001139687858 1091642999 /nfs/dbraw/zinc/64/29/99/1091642999.db2.gz SDEVJOUYLXWFNY-UHFFFAOYSA-N 0 0 311.353 3.437 20 10 DGCDRN CN(CC[N@H+](C)Cc1ccccc1)Cc1c(F)ccc(F)c1[O-] ZINC001139688017 1091643148 /nfs/dbraw/zinc/64/31/48/1091643148.db2.gz WAIRTORPXXQKDW-UHFFFAOYSA-N 0 0 320.383 3.234 20 10 DGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCOC[C@H]1C1CCCCC1 ZINC001139686866 1091643784 /nfs/dbraw/zinc/64/37/84/1091643784.db2.gz HGVPHTKIDNLEMT-INIZCTEOSA-N 0 0 311.372 3.452 20 10 DGCDRN CCOC(=O)[C@@]1(C)CCCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140057400 1091752297 /nfs/dbraw/zinc/75/22/97/1091752297.db2.gz FPVHCBWYCNZULS-KRWDZBQOSA-N 0 0 309.381 3.087 20 10 DGCDRN CCCc1noc([C@H]2CCC[N@H+](Cc3cc(F)ccc3O)C2)n1 ZINC001140058489 1091752564 /nfs/dbraw/zinc/75/25/64/1091752564.db2.gz CPOGFZWEQKGDBD-LBPRGKRZSA-N 0 0 319.380 3.246 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]Cc1cccc2c1CCOC2 ZINC001206847446 1091767655 /nfs/dbraw/zinc/76/76/55/1091767655.db2.gz QCHBVMROVBAZEJ-UHFFFAOYSA-N 0 0 305.324 3.033 20 10 DGCDRN Oc1cccc2c1CN(Cc1cc(C(F)(F)F)ccn1)CC2 ZINC001140108027 1091771170 /nfs/dbraw/zinc/77/11/70/1091771170.db2.gz BNNDUEMTIJVGLB-UHFFFAOYSA-N 0 0 308.303 3.364 20 10 DGCDRN COc1ccc(CNC(=O)c2[nH]ccc2-c2ccccc2)c(O)c1 ZINC001296967522 1091815590 /nfs/dbraw/zinc/81/55/90/1091815590.db2.gz CXLPYXYHZQMTMF-UHFFFAOYSA-N 0 0 322.364 3.326 20 10 DGCDRN CCC/C=C\[C@@H](O)C(=O)N(CCCC)Cc1ccccc1O ZINC001297004923 1091819061 /nfs/dbraw/zinc/81/90/61/1091819061.db2.gz DJCITHJRAOMKEV-UUKWBXHYSA-N 0 0 305.418 3.238 20 10 DGCDRN OC[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1c(O)cccc1Cl ZINC001140337817 1091833765 /nfs/dbraw/zinc/83/37/65/1091833765.db2.gz GXJBVGINLRTWNO-ZYHUDNBSSA-N 0 0 323.742 3.181 20 10 DGCDRN CCOc1ccc(N2CCN(Cc3cnc(C)s3)CC2)cc1 ZINC001207062489 1091833761 /nfs/dbraw/zinc/83/37/61/1091833761.db2.gz CMZLUVLXMJCKSR-UHFFFAOYSA-N 0 0 317.458 3.172 20 10 DGCDRN Oc1cccc(Cl)c1CN1CC(Oc2ccccc2F)C1 ZINC001140341445 1091835861 /nfs/dbraw/zinc/83/58/61/1091835861.db2.gz OFABATFHXRPQHF-UHFFFAOYSA-N 0 0 307.752 3.448 20 10 DGCDRN Oc1cc(Cl)ccc1CN1CC(Oc2ccccc2F)C1 ZINC001140464879 1091875487 /nfs/dbraw/zinc/87/54/87/1091875487.db2.gz DRONKPPSGQAQDD-UHFFFAOYSA-N 0 0 307.752 3.448 20 10 DGCDRN [O-]c1c(C[NH+]2CCN(c3cccc(F)c3)CC2)ccc(F)c1F ZINC001207184036 1091878556 /nfs/dbraw/zinc/87/85/56/1091878556.db2.gz GSWXGPMDQRKTQP-UHFFFAOYSA-N 0 0 322.330 3.132 20 10 DGCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001140584459 1091919747 /nfs/dbraw/zinc/91/97/47/1091919747.db2.gz RZIBPIATBSUNGB-UHFFFAOYSA-N 0 0 321.323 3.030 20 10 DGCDRN CC(C)(C)OC(=O)[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC001207423589 1091961430 /nfs/dbraw/zinc/96/14/30/1091961430.db2.gz FBYGBTXASREUOP-HAQNSBGRSA-N 0 0 311.809 3.256 20 10 DGCDRN CCCCOC1CN(Cc2ccc(N(CC)CC)cc2O)C1 ZINC001140855120 1092030463 /nfs/dbraw/zinc/03/04/63/1092030463.db2.gz OFKABHVCDGUONA-UHFFFAOYSA-N 0 0 306.450 3.239 20 10 DGCDRN CN(C)c1ccc(C[NH+]2CCC3(CCOC3)CC2)c(Cl)c1 ZINC001140921777 1092062662 /nfs/dbraw/zinc/06/26/62/1092062662.db2.gz PKRJFMRXKVCQCW-UHFFFAOYSA-N 0 0 308.853 3.409 20 10 DGCDRN CN(C)c1ccc(CN2CC3(C2)C[C@@H](F)CS3)c(Cl)c1 ZINC001140925683 1092064248 /nfs/dbraw/zinc/06/42/48/1092064248.db2.gz URSVPDIHFPWBLP-GFCCVEGCSA-N 0 0 314.857 3.435 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2c(O)cccc2Cl)cc1 ZINC001298550800 1092071816 /nfs/dbraw/zinc/07/18/16/1092071816.db2.gz NWWMWMSCAGLEFN-UHFFFAOYSA-N 0 0 318.720 3.460 20 10 DGCDRN O=C(Nc1cscc1Br)c1cccc(O)c1O ZINC001298586352 1092076210 /nfs/dbraw/zinc/07/62/10/1092076210.db2.gz UXQJVYFLMSDRRV-UHFFFAOYSA-N 0 0 314.160 3.174 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC001207763453 1092093612 /nfs/dbraw/zinc/09/36/12/1092093612.db2.gz QBMGOVUXHMHJIJ-JTQLQIEISA-N 0 0 310.369 3.192 20 10 DGCDRN COc1cc(O)c(C[N@@H+]2CC[C@H](C)C(F)(F)CC2)c(OC)c1 ZINC001141031304 1092112984 /nfs/dbraw/zinc/11/29/84/1092112984.db2.gz CEXLGLPUNSKEGS-NSHDSACASA-N 0 0 315.360 3.277 20 10 DGCDRN CN1CCOc2cc(CN3CCCC(F)(F)[C@H](F)C3)ccc21 ZINC001141139907 1092148830 /nfs/dbraw/zinc/14/88/30/1092148830.db2.gz DLHSTEPDIGKYIF-OAHLLOKOSA-N 0 0 314.351 3.084 20 10 DGCDRN CC[N@H+](Cc1cc(Cl)cc(Br)c1[O-])C1COC1 ZINC001141373340 1092221025 /nfs/dbraw/zinc/22/10/25/1092221025.db2.gz ZIQCUOPNYVUGPN-UHFFFAOYSA-N 0 0 320.614 3.029 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3cc4c(o3)CCCC4)ccc21 ZINC001142465893 1092485368 /nfs/dbraw/zinc/48/53/68/1092485368.db2.gz VRDFZBZJKRCCLM-UHFFFAOYSA-N 0 0 324.424 3.471 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001142520947 1092494174 /nfs/dbraw/zinc/49/41/74/1092494174.db2.gz RUUCSZYMQCLGSQ-OAHLLOKOSA-N 0 0 319.351 3.462 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001142521005 1092494690 /nfs/dbraw/zinc/49/46/90/1092494690.db2.gz UHYWIFROIRHQFJ-AWEZNQCLSA-N 0 0 323.314 3.463 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc3cccnc3c2O)c(C)c1 ZINC001142728496 1092538872 /nfs/dbraw/zinc/53/88/72/1092538872.db2.gz VRWINLJGHQDTLU-UHFFFAOYSA-N 0 0 306.365 3.487 20 10 DGCDRN CN(Cc1cnn(C(=O)OC(C)(C)C)c1)Cc1ccccc1O ZINC001142801105 1092554894 /nfs/dbraw/zinc/55/48/94/1092554894.db2.gz CPSYJVZEOXYUSV-UHFFFAOYSA-N 0 0 317.389 3.004 20 10 DGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)C2CCOCC2)cc1 ZINC001143017623 1092605065 /nfs/dbraw/zinc/60/50/65/1092605065.db2.gz LFTLRDPYVUDIAW-UHFFFAOYSA-N 0 0 310.397 3.229 20 10 DGCDRN COc1cccc(NC(=O)NCc2cc(C)ccc2O)c1OC ZINC001209018310 1092626045 /nfs/dbraw/zinc/62/60/45/1092626045.db2.gz UHVBLTXKYIFDGY-UHFFFAOYSA-N 0 0 316.357 3.040 20 10 DGCDRN Cc1ccc(C(=O)N[C@H]2CCc3ccc(Cl)cc32)c(O)c1O ZINC001169292025 1092632415 /nfs/dbraw/zinc/63/24/15/1092632415.db2.gz KXBJHAXATAEMHM-AWEZNQCLSA-N 0 0 317.772 3.477 20 10 DGCDRN CN(CCNC(=O)C1CC1)c1ccc(OCc2ccccc2)cc1 ZINC001169342247 1092650574 /nfs/dbraw/zinc/65/05/74/1092650574.db2.gz JGWAZGUGXKGFOK-UHFFFAOYSA-N 0 0 324.424 3.228 20 10 DGCDRN CNc1ccc(C(=O)N[C@H](C)c2cc(OC)ccc2O)cc1F ZINC001150543437 1092791910 /nfs/dbraw/zinc/79/19/10/1092791910.db2.gz OQASELHKAQDJSQ-SNVBAGLBSA-N 0 0 318.348 3.073 20 10 DGCDRN CN(C)c1ccc(C[N@H+](C)Cc2c3ccccc3nn2C)cc1 ZINC001209538984 1092815285 /nfs/dbraw/zinc/81/52/85/1092815285.db2.gz GQCMDJJKQQAJMT-UHFFFAOYSA-N 0 0 308.429 3.271 20 10 DGCDRN COC(=O)c1ccc(Nc2ccc3c(c2)OCCN3)c(F)c1F ZINC001209788354 1092924064 /nfs/dbraw/zinc/92/40/64/1092924064.db2.gz BJZISLAIUIDZAY-UHFFFAOYSA-N 0 0 320.295 3.299 20 10 DGCDRN COC(=O)c1c(F)ccc(Nc2ccc3c(c2)OCCN3)c1C ZINC001209788545 1092924467 /nfs/dbraw/zinc/92/44/67/1092924467.db2.gz MNOPKTQYTLWZSI-UHFFFAOYSA-N 0 0 316.332 3.469 20 10 DGCDRN C[C@@H](NC(=O)Nc1nn(C)c2ccccc12)c1ccccc1O ZINC001210492580 1093186173 /nfs/dbraw/zinc/18/61/73/1093186173.db2.gz BIENRRVZKILBOS-LLVKDONJSA-N 0 0 310.357 3.162 20 10 DGCDRN N=c1ccc(N=Nc2ccccc2)c(N)n1-c1c[nH]c(=O)c(F)c1 ZINC001210598658 1093222354 /nfs/dbraw/zinc/22/23/54/1093222354.db2.gz IQGOFLZXGPBULU-PXTJVOGYSA-N 0 0 324.319 3.194 20 10 DGCDRN CC(C)(C)OC(=O)c1ncccc1Nc1cccc(O)c1O ZINC001210956596 1093337016 /nfs/dbraw/zinc/33/70/16/1093337016.db2.gz FGXDNRVLMMPFKC-UHFFFAOYSA-N 0 0 302.330 3.192 20 10 DGCDRN COc1ccc(NC(=O)NCc2c(O)cccc2F)c(C)c1 ZINC001215125214 1093922515 /nfs/dbraw/zinc/92/25/15/1093922515.db2.gz ISJSWNICFHIQCY-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN Oc1cccc(-c2nc(-c3cc(F)cc(F)c3F)no2)c1O ZINC001215143807 1093925963 /nfs/dbraw/zinc/92/59/63/1093925963.db2.gz UBSYTAQZMXEXHD-UHFFFAOYSA-N 0 0 308.215 3.232 20 10 DGCDRN Oc1cccc(-c2nc(-c3ncccc3C(F)(F)F)no2)c1O ZINC001215145845 1093926839 /nfs/dbraw/zinc/92/68/39/1093926839.db2.gz MLSHCUNPQMZVES-UHFFFAOYSA-N 0 0 323.230 3.229 20 10 DGCDRN Oc1cccc(-c2nc(-c3ccc(OC(F)F)cc3)no2)c1O ZINC001215145971 1093926905 /nfs/dbraw/zinc/92/69/05/1093926905.db2.gz VDEUUUAFYJYKMH-UHFFFAOYSA-N 0 0 320.251 3.416 20 10 DGCDRN Oc1ccc(-c2nc(-c3ccnc4ccccc43)no2)cc1O ZINC001215304544 1093955887 /nfs/dbraw/zinc/95/58/87/1093955887.db2.gz RBYYOHIUMHBZMM-UHFFFAOYSA-N 0 0 305.293 3.363 20 10 DGCDRN COc1c(F)cc(-c2noc(-c3ccc(O)c(O)c3)n2)cc1F ZINC001215304291 1093955986 /nfs/dbraw/zinc/95/59/86/1093955986.db2.gz JBUJGUXBRBATPB-UHFFFAOYSA-N 0 0 320.251 3.102 20 10 DGCDRN Oc1ccc(-c2nc(-c3cc(F)cc(F)c3F)no2)cc1O ZINC001215304493 1093956002 /nfs/dbraw/zinc/95/60/02/1093956002.db2.gz PLAORDIWNMVXDQ-UHFFFAOYSA-N 0 0 308.215 3.232 20 10 DGCDRN Cc1ccc(Cl)cc1-c1noc(-c2ccc(O)c(O)c2O)n1 ZINC001215325512 1093960410 /nfs/dbraw/zinc/96/04/10/1093960410.db2.gz XEIXHZHKLCBCFF-UHFFFAOYSA-N 0 0 318.716 3.482 20 10 DGCDRN Oc1cc(-c2nc(-c3ccc4ccccc4n3)no2)cc(O)c1O ZINC001215328417 1093961675 /nfs/dbraw/zinc/96/16/75/1093961675.db2.gz CCRJDBISPAKCMK-UHFFFAOYSA-N 0 0 321.292 3.069 20 10 DGCDRN CC(C)c1cc(N(c2ccc(N)cc2)S(C)(=O)=O)ccc1O ZINC001215846911 1094072944 /nfs/dbraw/zinc/07/29/44/1094072944.db2.gz CLCKNSKGNKPCGQ-UHFFFAOYSA-N 0 0 320.414 3.196 20 10 DGCDRN CC(C)c1cc(NS(=O)(=O)c2ccc(F)cc2N)ccc1O ZINC001215848300 1094073144 /nfs/dbraw/zinc/07/31/44/1094073144.db2.gz ABRXNFWQACZJRN-UHFFFAOYSA-N 0 0 324.377 3.038 20 10 DGCDRN CN(c1ccc(N)cc1)c1cccc(CN2CCOCC2)c1F ZINC001216218108 1094149405 /nfs/dbraw/zinc/14/94/05/1094149405.db2.gz QJFSXZSUIUCPLJ-UHFFFAOYSA-N 0 0 315.392 3.008 20 10 DGCDRN CS(=O)(=O)N(c1cc2c(cccc2F)o1)c1ccc(N)cc1 ZINC001216293739 1094168175 /nfs/dbraw/zinc/16/81/75/1094168175.db2.gz PPHNSAWZAQNAMB-UHFFFAOYSA-N 0 0 320.345 3.252 20 10 DGCDRN Nc1ccnc(-c2cc(Nc3cc(Cl)ccc3O)ccn2)c1 ZINC001216397963 1094190725 /nfs/dbraw/zinc/19/07/25/1094190725.db2.gz QXZGTTQNOAKMGF-UHFFFAOYSA-N 0 0 312.760 3.250 20 10 DGCDRN C[C@@H](NC(=O)NC1(C(F)(F)F)CC1)c1ccc(N(C)C)cc1 ZINC001119863633 1094301604 /nfs/dbraw/zinc/30/16/04/1094301604.db2.gz GBOXRFIJNDOHPC-SNVBAGLBSA-N 0 0 315.339 3.208 20 10 DGCDRN C[C@@H](Nc1ccc(Br)nn1)c1ccc(N(C)C)cc1 ZINC001120037134 1094359898 /nfs/dbraw/zinc/35/98/98/1094359898.db2.gz CQDSJLZLJDLVRZ-SNVBAGLBSA-N 0 0 321.222 3.478 20 10 DGCDRN CCc1cccnc1-c1noc(-c2cc3cc(O)c(O)cc3[nH]2)n1 ZINC001217475737 1094420939 /nfs/dbraw/zinc/42/09/39/1094420939.db2.gz YJYVJQRMGHTPCF-UHFFFAOYSA-N 0 0 322.324 3.254 20 10 DGCDRN C[C@H](NC(=O)c1cccc(O)c1O)c1nc(C(C)(C)C)cs1 ZINC000187077704 1094446278 /nfs/dbraw/zinc/44/62/78/1094446278.db2.gz TXFZVVPOIRIYFC-VIFPVBQESA-N 0 0 320.414 3.343 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC001135598744 1094590849 /nfs/dbraw/zinc/59/08/49/1094590849.db2.gz VLGIRWMZEIDJAD-UHFFFAOYSA-N 0 0 304.256 3.380 20 10 DGCDRN C[C@@H](NC(=O)NC[C@@H]1CCc2ccccc21)c1ccccc1O ZINC001336398850 1094640324 /nfs/dbraw/zinc/64/03/24/1094640324.db2.gz BANRFSROILSTEC-HIFRSBDPSA-N 0 0 310.397 3.482 20 10 DGCDRN CCO[C@H]1C[C@@H](NC(=O)N[C@H](C)c2ccccc2O)C12CCC2 ZINC001336448348 1094650824 /nfs/dbraw/zinc/65/08/24/1094650824.db2.gz ARIMIEZGUOLXTC-WQVCFCJDSA-N 0 0 318.417 3.100 20 10 DGCDRN CC[C@H](O)[C@H](C)C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001170857008 1094711738 /nfs/dbraw/zinc/71/17/38/1094711738.db2.gz FEFDXQNJNVTJHR-KSSFIOAISA-N 0 0 314.429 3.117 20 10 DGCDRN CCN(CC)c1ccc(CNC2(c3nc(C)no3)CC2)cc1 ZINC001336873083 1094767515 /nfs/dbraw/zinc/76/75/15/1094767515.db2.gz JMHKDGBYJMYVQW-UHFFFAOYSA-N 0 0 300.406 3.003 20 10 DGCDRN Nc1ccc(CNC(=O)N(Cc2cccs2)C2CC2)cc1 ZINC001337078949 1094844572 /nfs/dbraw/zinc/84/45/72/1094844572.db2.gz SFZSXWGGLRYSKP-UHFFFAOYSA-N 0 0 301.415 3.205 20 10 DGCDRN Cc1cc(C(=O)NCCCSc2nccs2)cc(C)n1 ZINC001337127749 1094865775 /nfs/dbraw/zinc/86/57/75/1094865775.db2.gz SAWQBDCMRBAVGP-UHFFFAOYSA-N 0 0 307.444 3.067 20 10 DGCDRN CN(C)C(=O)c1cc(NC(=O)C2=CC(=O)CS2)ccc1Cl ZINC001136187519 1094935888 /nfs/dbraw/zinc/93/58/88/1094935888.db2.gz CYIHNANNZVLOMT-UHFFFAOYSA-N 0 0 324.789 3.061 20 10 DGCDRN O=C(Cc1ccccc1Br)NCc1ccccc1O ZINC000692459017 1094961886 /nfs/dbraw/zinc/96/18/86/1094961886.db2.gz XSBZXCGMZKPOTL-UHFFFAOYSA-N 0 0 320.186 3.014 20 10 DGCDRN C[C@@H](NC(=O)c1csc(Cc2ccc(N)cc2)n1)C1(C)CC1 ZINC001122451384 1094978257 /nfs/dbraw/zinc/97/82/57/1094978257.db2.gz LXEPODZCYDABFM-LLVKDONJSA-N 0 0 315.442 3.235 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CC(C)(C)CO1 ZINC001136428596 1095033933 /nfs/dbraw/zinc/03/39/33/1095033933.db2.gz FGMNNIAFYZNSBN-QGZVFWFLSA-N 0 0 318.461 3.306 20 10 DGCDRN Cc1cc(C)c(CNC(=O)[C@H]2CCc3ccccc3N2)c(O)c1 ZINC001220825315 1095160249 /nfs/dbraw/zinc/16/02/49/1095160249.db2.gz BXHWGAGJQFGYPL-QGZVFWFLSA-N 0 0 310.397 3.052 20 10 DGCDRN Cc1cc(C)c(CNC(=O)[C@@H]2CCNc3ccccc32)c(O)c1 ZINC001220825562 1095160433 /nfs/dbraw/zinc/16/04/33/1095160433.db2.gz MNDCQSRNXDZRKY-OAHLLOKOSA-N 0 0 310.397 3.225 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC[C@@H]2CCC[C@@H]2C2CC2)cc1 ZINC001221011763 1095185851 /nfs/dbraw/zinc/18/58/51/1095185851.db2.gz WPUXNCVAQQNCET-FUHWJXTLSA-N 0 0 315.461 3.378 20 10 DGCDRN O=C(NCCc1cccc(Cl)c1)NCc1c(O)cccc1F ZINC001221150573 1095206731 /nfs/dbraw/zinc/20/67/31/1095206731.db2.gz DVCHJBDFRZKBOL-UHFFFAOYSA-N 0 0 322.767 3.227 20 10 DGCDRN O=C(NCc1ccccc1O)NC12CC3CC(CC(C3)C1)C2 ZINC000317611031 1095270373 /nfs/dbraw/zinc/27/03/73/1095270373.db2.gz DEMHFSDGCDGBQT-UHFFFAOYSA-N 0 0 300.402 3.160 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccns2)cc1 ZINC001338594342 1095342871 /nfs/dbraw/zinc/34/28/71/1095342871.db2.gz DETKMTJHEWAQFE-UHFFFAOYSA-N 0 0 303.431 3.262 20 10 DGCDRN Cn1c(C2SC=CC2=O)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001338750257 1095379001 /nfs/dbraw/zinc/37/90/01/1095379001.db2.gz LOIKOGKSGROCIL-NWDGAFQWSA-N 0 0 318.446 3.266 20 10 DGCDRN Nc1ccc(CNC(=O)N2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC001338792333 1095388979 /nfs/dbraw/zinc/38/89/79/1095388979.db2.gz DJZIBWXKBJQQGL-OAHLLOKOSA-N 0 0 313.376 3.107 20 10 DGCDRN Cc1ccc(C(=O)N(C)c2cccc3c2CCCN3)c(O)c1O ZINC001338984444 1095457460 /nfs/dbraw/zinc/45/74/60/1095457460.db2.gz PWEAYUMMHBCAOS-UHFFFAOYSA-N 0 0 312.369 3.041 20 10 DGCDRN CC[C@@H](F)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC001339064843 1095483331 /nfs/dbraw/zinc/48/33/31/1095483331.db2.gz BDDZKTDIPSVFDC-CYBMUJFWSA-N 0 0 320.330 3.392 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@]12CCC[NH2+]C2 ZINC001222236853 1095503364 /nfs/dbraw/zinc/50/33/64/1095503364.db2.gz BYYMXCVXJFOOHY-HNNXBMFYSA-N 0 0 315.244 3.417 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cnoc2C2CC2)cc1 ZINC001116332633 1095519687 /nfs/dbraw/zinc/51/96/87/1095519687.db2.gz IUJGSXUXBLJQQJ-UHFFFAOYSA-N 0 0 313.401 3.328 20 10 DGCDRN O=C(Nc1ccn(C2CCCCC2)n1)c1cccc(O)c1O ZINC001339175024 1095526651 /nfs/dbraw/zinc/52/66/51/1095526651.db2.gz HHEVIKWUISXRIT-UHFFFAOYSA-N 0 0 301.346 3.052 20 10 DGCDRN CC(C)c1ocnc1CN1CCOc2cc(N(C)C)ccc21 ZINC001116465566 1095565025 /nfs/dbraw/zinc/56/50/25/1095565025.db2.gz IFLHXPYMUKPHGH-UHFFFAOYSA-N 0 0 301.390 3.263 20 10 DGCDRN [O-]c1c(Cl)cc(F)cc1CN1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222397062 1095592702 /nfs/dbraw/zinc/59/27/02/1095592702.db2.gz ZMJLLKMVONFFLP-MRXNPFEDSA-N 0 0 312.816 3.293 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCc1ccoc1 ZINC001124623804 1095609740 /nfs/dbraw/zinc/60/97/40/1095609740.db2.gz XWQAKZYDOOPBFL-UHFFFAOYSA-N 0 0 312.413 3.471 20 10 DGCDRN Cn1cc(-c2ccn(CC3CC3)c(=O)c2)c(-c2ccccc2)n1 ZINC001222549971 1095663340 /nfs/dbraw/zinc/66/33/40/1095663340.db2.gz RMQKMENFJAULGR-UHFFFAOYSA-N 0 0 305.381 3.326 20 10 DGCDRN O=C(N[C@H]1C[C@@H]1C1CCCCC1)N1Cc2cccc(O)c2C1 ZINC001222567608 1095670652 /nfs/dbraw/zinc/67/06/52/1095670652.db2.gz KGIMGNJACDUSIZ-ZBFHGGJFSA-N 0 0 300.402 3.386 20 10 DGCDRN O=C(N[C@H]1C[C@H]1C1CCCCC1)N1Cc2cccc(O)c2C1 ZINC001222567605 1095670668 /nfs/dbraw/zinc/67/06/68/1095670668.db2.gz KGIMGNJACDUSIZ-HOCLYGCPSA-N 0 0 300.402 3.386 20 10 DGCDRN CC[C@@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1ccc(F)cc1[O-] ZINC001117140077 1095720151 /nfs/dbraw/zinc/72/01/51/1095720151.db2.gz YXLVUPTVDQCHMP-XJKSGUPXSA-N 0 0 322.424 3.221 20 10 DGCDRN Cc1cccc(N2CC[NH+](Cc3c([O-])cccc3F)CC2)c1C ZINC001137838997 1095758155 /nfs/dbraw/zinc/75/81/55/1095758155.db2.gz NENJFPVVBAVDKD-UHFFFAOYSA-N 0 0 314.404 3.470 20 10 DGCDRN COc1cc2c(cc1OC)CN(Cc1c(O)cccc1F)CC2 ZINC001137837519 1095761185 /nfs/dbraw/zinc/76/11/85/1095761185.db2.gz KCGLRZOGLBSPIF-UHFFFAOYSA-N 0 0 317.360 3.107 20 10 DGCDRN COC(=O)[C@H](C)N(C)Cc1cc(C)n(-c2ccccc2)c1C ZINC001137858007 1095768986 /nfs/dbraw/zinc/76/89/86/1095768986.db2.gz SMAHBGPRAZTWNM-HNNXBMFYSA-N 0 0 300.402 3.087 20 10 DGCDRN COc1ccc(F)c(CN2CCCc3cc(O)c(O)cc3C2)c1 ZINC001137997577 1095820398 /nfs/dbraw/zinc/82/03/98/1095820398.db2.gz QTYMFAOCJSUQPH-UHFFFAOYSA-N 0 0 317.360 3.194 20 10 DGCDRN C[C@@H]1CN(C(=O)c2cccc3c2CCN3)c2ccc(F)cc2O1 ZINC001340100485 1095862054 /nfs/dbraw/zinc/86/20/54/1095862054.db2.gz TUGRTJJWIRLIRJ-LLVKDONJSA-N 0 0 312.344 3.221 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)/C=C/C(C)(C)C)cc1 ZINC001144868391 1095872247 /nfs/dbraw/zinc/87/22/47/1095872247.db2.gz ZXQLDHOZCOEBOC-VAWYXSNFSA-N 0 0 304.434 3.192 20 10 DGCDRN CN1CC[N@H+](Cc2cccc(F)c2[O-])C[C@H]1c1ccccc1 ZINC001138127833 1095899320 /nfs/dbraw/zinc/89/93/20/1095899320.db2.gz RIFQTPRCKXOLRP-KRWDZBQOSA-N 0 0 300.377 3.020 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[C@]12CCOC2 ZINC001118061573 1095929166 /nfs/dbraw/zinc/92/91/66/1095929166.db2.gz IWNIHZPHNFZCQJ-HXUWFJFHSA-N 0 0 324.424 3.408 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCC[C@@H](F)C2)cc1 ZINC001118127693 1095939357 /nfs/dbraw/zinc/93/93/57/1095939357.db2.gz MSYGHUBNTNAHBZ-HUUCEWRRSA-N 0 0 307.413 3.175 20 10 DGCDRN CCc1cccc(CNc2ccc3c(c2)CN(C(C)=O)C3)c1O ZINC001118336193 1095984787 /nfs/dbraw/zinc/98/47/87/1095984787.db2.gz GIMQMWZDENTTOP-UHFFFAOYSA-N 0 0 310.397 3.429 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1cc2ccccc2[nH]1 ZINC001146220163 1096002832 /nfs/dbraw/zinc/00/28/32/1096002832.db2.gz AGKABWYHZSMORO-UHFFFAOYSA-N 0 0 300.745 3.457 20 10 DGCDRN COc1ccc(C[C@@H](C)N(C)C(=O)C2=CC(=O)CS2)cc1 ZINC001118556123 1096034696 /nfs/dbraw/zinc/03/46/96/1096034696.db2.gz UFPZJNLNVQBOAY-LLVKDONJSA-N 0 0 305.399 3.166 20 10 DGCDRN CN(C)c1ccc(/C=C/CN2CCO[C@@](C)(C(F)F)C2)cc1 ZINC001118674091 1096052819 /nfs/dbraw/zinc/05/28/19/1096052819.db2.gz IMXSCMXRMBYBSG-LAQIPUCWSA-N 0 0 310.388 3.122 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(OCC2CC2)nc1)c1ccccc1O ZINC001119049091 1096126034 /nfs/dbraw/zinc/12/60/34/1096126034.db2.gz HEFFZZHNCYQPJB-GFCCVEGCSA-N 0 0 312.369 3.067 20 10 DGCDRN Cc1ncc(C(=O)N[C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)[nH]1 ZINC001146878436 1096135244 /nfs/dbraw/zinc/13/52/44/1096135244.db2.gz UMDFVVVNNSDMID-INIZCTEOSA-N 0 0 313.401 3.094 20 10 DGCDRN CCOCCCCCC(=O)Nc1c2nonc2ccc1Cl ZINC001119200681 1096139007 /nfs/dbraw/zinc/13/90/07/1096139007.db2.gz ZRKBSYYOWXJQNV-UHFFFAOYSA-N 0 0 311.769 3.412 20 10 DGCDRN C[C@@H]1CC[C@@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC001119326440 1096168021 /nfs/dbraw/zinc/16/80/21/1096168021.db2.gz NTZAWWRLXUAAMT-BXUZGUMPSA-N 0 0 315.442 3.235 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cncc2c1CCCC2 ZINC001147248666 1096186449 /nfs/dbraw/zinc/18/64/49/1096186449.db2.gz UAMXPFZAWXZQRQ-VURMDHGXSA-N 0 0 310.353 3.024 20 10 DGCDRN COc1ccc(-n2c(C)cc(C(=O)N3CC4(CC4)C3)c2C)cc1 ZINC001119628287 1096236539 /nfs/dbraw/zinc/23/65/39/1096236539.db2.gz AJMHUNGMRSPQRJ-UHFFFAOYSA-N 0 0 310.397 3.339 20 10 DGCDRN CCc1nc(NC(=O)NCc2c(O)cccc2F)sc1C ZINC001119764401 1096257144 /nfs/dbraw/zinc/25/71/44/1096257144.db2.gz VXVYUUGVMGWGFJ-UHFFFAOYSA-N 0 0 309.366 3.180 20 10 DGCDRN COc1ccccc1SCC(=O)NCc1cc(C)ccc1O ZINC001147957839 1096296979 /nfs/dbraw/zinc/29/69/79/1096296979.db2.gz YIQOPNJVTRHIHM-UHFFFAOYSA-N 0 0 317.410 3.118 20 10 DGCDRN Cc1nc2c(F)cccc2cc1NC(=O)c1cccc(O)c1O ZINC001148212262 1096327900 /nfs/dbraw/zinc/32/79/00/1096327900.db2.gz UOKIXVDKZBWEPH-UHFFFAOYSA-N 0 0 312.300 3.346 20 10 DGCDRN O=C(Nc1cccc(C(F)(F)F)c1O)c1cccc(O)c1O ZINC001148218728 1096328310 /nfs/dbraw/zinc/32/83/10/1096328310.db2.gz IWIKWMMAUOZRSW-UHFFFAOYSA-N 0 0 313.231 3.075 20 10 DGCDRN O=C(NCCc1ccccc1Cl)NCc1c(O)cccc1F ZINC001225169309 1096357500 /nfs/dbraw/zinc/35/75/00/1096357500.db2.gz MGBDWBLCZJZRKG-UHFFFAOYSA-N 0 0 322.767 3.227 20 10 DGCDRN CC(C)[C@H](NC(=O)c1cc(O)c(O)c(O)c1)c1ccc(F)cc1 ZINC001148589568 1096408453 /nfs/dbraw/zinc/40/84/53/1096408453.db2.gz CDWKBFCJZZRQKI-HNNXBMFYSA-N 0 0 319.332 3.070 20 10 DGCDRN CC[C@@H](C)C1CCC(NC(=O)c2cc(O)c(O)c(O)c2)CC1 ZINC001148590310 1096408633 /nfs/dbraw/zinc/40/86/33/1096408633.db2.gz HJUNBFDIQJNZGM-XSRFYTQQSA-N 0 0 307.390 3.138 20 10 DGCDRN Cc1ccc(C(=O)NCC(C2CCC2)C2CCC2)c(O)c1O ZINC001148727883 1096430969 /nfs/dbraw/zinc/43/09/69/1096430969.db2.gz XIZVKEQWOHGAGB-UHFFFAOYSA-N 0 0 303.402 3.352 20 10 DGCDRN CCN(C)c1cc(NCc2cc3ccccc3cc2O)ncn1 ZINC001171400308 1096666078 /nfs/dbraw/zinc/66/60/78/1096666078.db2.gz SKIBTTUJQQONNN-UHFFFAOYSA-N 0 0 308.385 3.404 20 10 DGCDRN Cc1cc(NCc2cc3ccccc3cc2O)nc2c1nnn2C ZINC001171402256 1096673127 /nfs/dbraw/zinc/67/31/27/1096673127.db2.gz KGWRRJMNVLLOOV-UHFFFAOYSA-N 0 0 319.368 3.143 20 10 DGCDRN O=C1Cc2c(cccc2NCc2cc3ccccc3cc2O)CN1 ZINC001171407174 1096678819 /nfs/dbraw/zinc/67/88/19/1096678819.db2.gz LYXDNWDGJHUVCF-UHFFFAOYSA-N 0 0 318.376 3.330 20 10 DGCDRN CC(C)[C@@](C)(Cc1ccccc1)NC(=O)c1cccc(O)c1O ZINC001171557306 1096922793 /nfs/dbraw/zinc/92/27/93/1096922793.db2.gz OZNVRNAUNLFAKK-LJQANCHMSA-N 0 0 313.397 3.485 20 10 DGCDRN CCO[C@@H](C)COc1c(O)c(O)ccc1C(=O)c1ccccc1 ZINC001227940817 1097017300 /nfs/dbraw/zinc/01/73/00/1097017300.db2.gz OQEKSNIHRJZZOP-LBPRGKRZSA-N 0 0 316.353 3.133 20 10 DGCDRN CCOC[C@@H](C)Oc1cccc2c1C(=O)c1ccccc1C2=O ZINC001228074920 1097045650 /nfs/dbraw/zinc/04/56/50/1097045650.db2.gz UPFJWDIEFRXUIK-GFCCVEGCSA-N 0 0 310.349 3.266 20 10 DGCDRN CC[C@@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@H]1C ZINC001228576602 1097145064 /nfs/dbraw/zinc/14/50/64/1097145064.db2.gz QNEGNJHMPMIDJP-DOTOQJQBSA-N 0 0 313.445 3.393 20 10 DGCDRN COc1ccccc1-c1noc(-c2nnsc2C2CC2)n1 ZINC001212679458 1097227057 /nfs/dbraw/zinc/22/70/57/1097227057.db2.gz DMATVOLBKHKIDU-UHFFFAOYSA-N 0 0 300.343 3.141 20 10 DGCDRN Cn1ncc2cc(-c3noc(-c4nnsc4C4CC4)n3)ccc21 ZINC001212680731 1097230947 /nfs/dbraw/zinc/23/09/47/1097230947.db2.gz UVWMGXWETFVOKJ-UHFFFAOYSA-N 0 0 324.369 3.019 20 10 DGCDRN Cc1ccc2[nH]c(CNC(=O)N[C@H](C)c3ccccc3O)nc2c1 ZINC001229343590 1097301675 /nfs/dbraw/zinc/30/16/75/1097301675.db2.gz UVDIZXQLDUHLDF-GFCCVEGCSA-N 0 0 324.384 3.137 20 10 DGCDRN Nc1ccc(N(CCO)c2cccc(C(=O)C(F)(F)F)c2)cc1 ZINC001203345338 1097434757 /nfs/dbraw/zinc/43/47/57/1097434757.db2.gz YKGRKAHLZDRJQN-UHFFFAOYSA-N 0 0 324.302 3.144 20 10 DGCDRN COc1ncc(N(c2ccc(N)cc2)c2ccc(N)cc2)cn1 ZINC001174035331 1097594392 /nfs/dbraw/zinc/59/43/92/1097594392.db2.gz SPKVQVCUDGHKQB-UHFFFAOYSA-N 0 0 307.357 3.119 20 10 DGCDRN Cn1cc(Nc2ccc(OCCOc3ccc(N)cc3)cc2)cn1 ZINC001174332077 1097679290 /nfs/dbraw/zinc/67/92/90/1097679290.db2.gz VSELRSLZNRKIBQ-UHFFFAOYSA-N 0 0 324.384 3.204 20 10 DGCDRN CC[C@H](COc1ccc2c(c1)C(=O)c1ccccc1C2=O)OC ZINC001231266285 1097707960 /nfs/dbraw/zinc/70/79/60/1097707960.db2.gz REZHJNJOVZFQQD-GFCCVEGCSA-N 0 0 310.349 3.266 20 10 DGCDRN CCOC[C@@H](C)Oc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001231265377 1097708087 /nfs/dbraw/zinc/70/80/87/1097708087.db2.gz DBPREINIBZFZPV-GFCCVEGCSA-N 0 0 310.349 3.266 20 10 DGCDRN CC(=O)N1CC(Oc2ccc(NN=C3C=CC(=O)C=C3)cc2)C1 ZINC001231320526 1097722224 /nfs/dbraw/zinc/72/22/24/1097722224.db2.gz OZLNRMKPEVLEDU-UHFFFAOYSA-N 0 0 311.341 3.417 20 10 DGCDRN Cc1n[nH]cc1Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001174473736 1097739262 /nfs/dbraw/zinc/73/92/62/1097739262.db2.gz OJAFGVMKGTYWGD-UHFFFAOYSA-N 0 0 303.321 3.237 20 10 DGCDRN CC[N@H+](Cc1cccc(F)c1)Cc1ccc(C(=O)[O-])cc1O ZINC001231455442 1097753987 /nfs/dbraw/zinc/75/39/87/1097753987.db2.gz NWJDPGHIEQVDLB-UHFFFAOYSA-N 0 0 303.333 3.252 20 10 DGCDRN COc1cc(CN2CCCC[C@H]2C(F)(F)F)c(O)cc1O ZINC001231636442 1097796684 /nfs/dbraw/zinc/79/66/84/1097796684.db2.gz VTRVJJVEIRLDCA-ZDUSSCGKSA-N 0 0 305.296 3.023 20 10 DGCDRN COc1cc(CN2Cc3ccccc3C(F)(F)C2)c(O)cc1O ZINC001231634232 1097797409 /nfs/dbraw/zinc/79/74/09/1097797409.db2.gz JQVWQJPOCMKWLR-UHFFFAOYSA-N 0 0 321.323 3.214 20 10 DGCDRN Cc1cc(C)c(CN2CC(Oc3ccccc3F)C2)c(O)c1 ZINC001231845568 1097861570 /nfs/dbraw/zinc/86/15/70/1097861570.db2.gz AUFZDXABVPZKSV-UHFFFAOYSA-N 0 0 301.361 3.411 20 10 DGCDRN Cc1cc(C)c(CN2CCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001231850424 1097863521 /nfs/dbraw/zinc/86/35/21/1097863521.db2.gz PDCSTXMKLGLLBU-UHFFFAOYSA-N 0 0 306.406 3.019 20 10 DGCDRN O=C1CN(Cc2ccc3ccccc3c2O)CCN1C1CCCC1 ZINC001231882190 1097879278 /nfs/dbraw/zinc/87/92/78/1097879278.db2.gz MSHLZWLJVYOLCM-UHFFFAOYSA-N 0 0 324.424 3.132 20 10 DGCDRN CC[C@H]1[N@H+](Cc2cccc(Cl)c2[O-])CCC[C@]12CCC(=O)N2 ZINC001231910327 1097890127 /nfs/dbraw/zinc/89/01/27/1097890127.db2.gz NGSHIFRXJFDQND-PBHICJAKSA-N 0 0 322.836 3.069 20 10 DGCDRN CC(C)CC(=O)NC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC001231912146 1097890501 /nfs/dbraw/zinc/89/05/01/1097890501.db2.gz VXYARDASLRLUCX-UHFFFAOYSA-N 0 0 324.852 3.172 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCc2cc3c(cc2C1)OCO3 ZINC001231911001 1097890597 /nfs/dbraw/zinc/89/05/97/1097890597.db2.gz YCMKZXVXYWPBCO-UHFFFAOYSA-N 0 0 317.772 3.333 20 10 DGCDRN CCCCOC(=O)[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001231913150 1097890844 /nfs/dbraw/zinc/89/08/44/1097890844.db2.gz GDMKZUDZXDBRFV-CYBMUJFWSA-N 0 0 311.809 3.211 20 10 DGCDRN CSc1ncc2c(n1)CN(Cc1cccc(Cl)c1[O-])CC2 ZINC001231914588 1097891619 /nfs/dbraw/zinc/89/16/19/1097891619.db2.gz PKPWEOSBAOJEPY-UHFFFAOYSA-N 0 0 321.833 3.116 20 10 DGCDRN [O-]c1c(Cl)cccc1CN1CCOC[C@@H]1c1cccnc1 ZINC001231914895 1097892321 /nfs/dbraw/zinc/89/23/21/1097892321.db2.gz VMQNKJPKSKHZOM-OAHLLOKOSA-N 0 0 304.777 3.014 20 10 DGCDRN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1Cc2cccc(O)c2C1 ZINC001175029757 1097924194 /nfs/dbraw/zinc/92/41/94/1097924194.db2.gz LLWMIJBJVDDTBV-UHFFFAOYSA-N 0 0 324.292 3.203 20 10 DGCDRN Cc1ccc(C(=O)N2Cc3cccc(O)c3C2)c2ncccc12 ZINC001175037826 1097925493 /nfs/dbraw/zinc/92/54/93/1097925493.db2.gz LRZRPISWUAYFFS-UHFFFAOYSA-N 0 0 304.349 3.405 20 10 DGCDRN CC(C)[N@H+](CCCCCO)Cc1cc(Cl)c(O)cc1O ZINC001232263078 1097985509 /nfs/dbraw/zinc/98/55/09/1097985509.db2.gz FOHUCKQNBZVXFF-UHFFFAOYSA-N 0 0 301.814 3.124 20 10 DGCDRN C[C@H]1C(=O)CCN(Cc2cc(Cl)c(O)cc2O)C12CCCC2 ZINC001232266489 1097986811 /nfs/dbraw/zinc/98/68/11/1097986811.db2.gz VDUOJQTYMQHVDN-NSHDSACASA-N 0 0 323.820 3.475 20 10 DGCDRN Cc1c(CN2CCCc3cc(O)c(O)cc3C2)ccnc1Cl ZINC001232758117 1098129852 /nfs/dbraw/zinc/12/98/52/1098129852.db2.gz VFGFOYQJJBAWJP-UHFFFAOYSA-N 0 0 318.804 3.403 20 10 DGCDRN CC(C)c1cccc(N(c2ccc(N)cc2)S(C)(=O)=O)c1 ZINC001175778747 1098168847 /nfs/dbraw/zinc/16/88/47/1098168847.db2.gz RJUBAASOLLHRRT-UHFFFAOYSA-N 0 0 304.415 3.490 20 10 DGCDRN [O-]c1cc(Br)cc(F)c1C[N@@H+]1CCC2(CC2)C1 ZINC001233028328 1098206337 /nfs/dbraw/zinc/20/63/37/1098206337.db2.gz NOXUWPQDQUQTPV-UHFFFAOYSA-N 0 0 300.171 3.280 20 10 DGCDRN [O-]c1c(C[NH+]2CCC(c3ccncc3)CC2)ccc(F)c1F ZINC001233077710 1098220589 /nfs/dbraw/zinc/22/05/89/1098220589.db2.gz XFSSRMBNBCPAFC-UHFFFAOYSA-N 0 0 304.340 3.445 20 10 DGCDRN C[N@@H+](Cc1ccc(F)c(F)c1[O-])C[C@@H]1Cc2ccccc2O1 ZINC001233080681 1098221476 /nfs/dbraw/zinc/22/14/76/1098221476.db2.gz ZYAHRRGIZVASJA-ZDUSSCGKSA-N 0 0 305.324 3.106 20 10 DGCDRN COc1cc(O)c(CN2C[C@@H](F)C[C@H]2C)cc1Br ZINC001233135606 1098234907 /nfs/dbraw/zinc/23/49/07/1098234907.db2.gz WOIQMZUBRODDSB-SCZZXKLOSA-N 0 0 318.186 3.096 20 10 DGCDRN COc1cc(Cl)cc(CN2CC(Oc3ccccc3)C2)c1O ZINC001233289624 1098277961 /nfs/dbraw/zinc/27/79/61/1098277961.db2.gz DTONWUGESNKFQQ-UHFFFAOYSA-N 0 0 319.788 3.317 20 10 DGCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001233334897 1098291441 /nfs/dbraw/zinc/29/14/41/1098291441.db2.gz YOIMFNGVVTYKOA-CYBMUJFWSA-N 0 0 320.339 3.109 20 10 DGCDRN CC(=O)c1ccc2c(c1)CN(Cc1c(O)ccc(F)c1F)CC2 ZINC001233335981 1098292021 /nfs/dbraw/zinc/29/20/21/1098292021.db2.gz TXHXMMXAWFSGBU-UHFFFAOYSA-N 0 0 317.335 3.431 20 10 DGCDRN Cc1ccc(O[C@@H]2CC[N@H+](Cc3c([O-])ccc(F)c3F)C2)nc1 ZINC001233336477 1098294414 /nfs/dbraw/zinc/29/44/14/1098294414.db2.gz NGCLPKDEIVARRF-GFCCVEGCSA-N 0 0 320.339 3.027 20 10 DGCDRN O=C(c1ccccc1)[C@H]1CC[N@@H+](Cc2c([O-])ccc(F)c2F)C1 ZINC001233336463 1098294715 /nfs/dbraw/zinc/29/47/15/1098294715.db2.gz MIQOLVQMXDHABI-ZDUSSCGKSA-N 0 0 317.335 3.375 20 10 DGCDRN Oc1ccc(F)c(F)c1CN1CCOC[C@H]1C1CCCCC1 ZINC001233336691 1098294808 /nfs/dbraw/zinc/29/48/08/1098294808.db2.gz VVCKFARQEOGICB-HNNXBMFYSA-N 0 0 311.372 3.452 20 10 DGCDRN Oc1cccc2c1CN(Cc1c(Cl)ncnc1Cl)CC2 ZINC001233411295 1098319024 /nfs/dbraw/zinc/31/90/24/1098319024.db2.gz YNRJXVFBDDPBTQ-UHFFFAOYSA-N 0 0 310.184 3.047 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CCC[C@H]1O ZINC001233415641 1098322210 /nfs/dbraw/zinc/32/22/10/1098322210.db2.gz DFYIHGYFCYTHGJ-ZWNOBZJWSA-N 0 0 303.324 3.004 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)cccc1C(F)(F)F ZINC001233416472 1098322838 /nfs/dbraw/zinc/32/28/38/1098322838.db2.gz JOHPSZXMSVYMQO-MFKMUULPSA-N 0 0 301.308 3.022 20 10 DGCDRN [O-]c1c(C[NH+]2CCC3(CCOC3)CC2)cccc1C(F)(F)F ZINC001233415962 1098323178 /nfs/dbraw/zinc/32/31/78/1098323178.db2.gz QCBDFFGVBZMALT-UHFFFAOYSA-N 0 0 315.335 3.414 20 10 DGCDRN [O-]c1c(C[N@H+]2CCC[C@H](CO)CC2)cccc1C(F)(F)F ZINC001233415755 1098323266 /nfs/dbraw/zinc/32/32/66/1098323266.db2.gz HTWKUGDGKJELHW-NSHDSACASA-N 0 0 303.324 3.005 20 10 DGCDRN C[C@]1(CO)CCC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233415689 1098323313 /nfs/dbraw/zinc/32/33/13/1098323313.db2.gz FTSNPVBJLYFEAT-HNNXBMFYSA-N 0 0 317.351 3.396 20 10 DGCDRN CO[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])[C@H](C)C1 ZINC001233419744 1098324925 /nfs/dbraw/zinc/32/49/25/1098324925.db2.gz LACBCMLDTPDDON-PWSUYJOCSA-N 0 0 303.324 3.410 20 10 DGCDRN C[N@H+](CCc1cccnc1)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418729 1098325083 /nfs/dbraw/zinc/32/50/83/1098325083.db2.gz SPMPTSAPYQVKGC-UHFFFAOYSA-N 0 0 310.319 3.481 20 10 DGCDRN [O-]c1c(C[NH+]2CCC3(CCO3)CC2)cccc1C(F)(F)F ZINC001233418671 1098326121 /nfs/dbraw/zinc/32/61/21/1098326121.db2.gz QNQYYSOZDNMXCP-UHFFFAOYSA-N 0 0 301.308 3.166 20 10 DGCDRN Oc1cc(O)c(CN2CCC[C@@H]2c2cc(F)cc(F)c2)cc1O ZINC001233487967 1098347679 /nfs/dbraw/zinc/34/76/79/1098347679.db2.gz ZAKBLXCZIRQZIN-CQSZACIVSA-N 0 0 321.323 3.419 20 10 DGCDRN CCCC(=O)c1cc(O)c(O)cc1OC1CCC(OC)CC1 ZINC001233497573 1098351664 /nfs/dbraw/zinc/35/16/64/1098351664.db2.gz PCWGXDJDXCAQBQ-UHFFFAOYSA-N 0 0 308.374 3.417 20 10 DGCDRN Cc1cc(C(=O)Nc2ccc(O)cc2O)c(C)n1-c1ccccn1 ZINC001176488996 1098365448 /nfs/dbraw/zinc/36/54/48/1098365448.db2.gz RNZTVUZJWKVQLR-UHFFFAOYSA-N 0 0 323.352 3.153 20 10 DGCDRN O=C(NCc1cccc(O)c1O)[C@@H]1CCc2c1cccc2Cl ZINC001176565367 1098388654 /nfs/dbraw/zinc/38/86/54/1098388654.db2.gz KIYJYLZTQGVLQX-CYBMUJFWSA-N 0 0 317.772 3.097 20 10 DGCDRN CCN1CCc2cc(OC3CN(C(=O)OC(C)(C)C)C3)ccc21 ZINC001233607867 1098388879 /nfs/dbraw/zinc/38/88/79/1098388879.db2.gz OQDPDQDWXGTPFX-UHFFFAOYSA-N 0 0 318.417 3.067 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H](C)c1cccnc1Cl ZINC001234474278 1098564010 /nfs/dbraw/zinc/56/40/10/1098564010.db2.gz QPFHFBDEQVIGRB-VIFPVBQESA-N 0 0 307.733 3.489 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H](C)COc1ccccc1C ZINC001234477369 1098566658 /nfs/dbraw/zinc/56/66/58/1098566658.db2.gz SEVULQMXBCSEAC-LBPRGKRZSA-N 0 0 316.353 3.455 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@H+]3CCC(=O)[C@H](C)CC3)c2c1 ZINC001234526269 1098580372 /nfs/dbraw/zinc/58/03/72/1098580372.db2.gz SEOIOHMAZYMGLT-CYBMUJFWSA-N 0 0 313.397 3.355 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@H](O)[C@H](C)C3)c2c1 ZINC001234526139 1098580941 /nfs/dbraw/zinc/58/09/41/1098580941.db2.gz QTXZSIFCLSQFBZ-ACJLOTCBSA-N 0 0 315.413 3.147 20 10 DGCDRN COc1ccc2ccc(O)c(CN3CCn4c(C)ncc4C3)c2c1 ZINC001234526742 1098582730 /nfs/dbraw/zinc/58/27/30/1098582730.db2.gz YRFXNBHWHINUPE-UHFFFAOYSA-N 0 0 323.396 3.075 20 10 DGCDRN Cc1ccccc1[C@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001177972705 1098679771 /nfs/dbraw/zinc/67/97/71/1098679771.db2.gz VCONCHADDUFAGO-HNNXBMFYSA-N 0 0 309.768 3.316 20 10 DGCDRN Oc1c(F)cc(F)cc1CNc1cccc(-c2nnco2)c1 ZINC001178051405 1098688891 /nfs/dbraw/zinc/68/88/91/1098688891.db2.gz MPYHPTYHSGTFHW-UHFFFAOYSA-N 0 0 303.268 3.333 20 10 DGCDRN COc1ncc(C)cc1NCc1cc(F)c(N(C)C)cc1F ZINC001178263802 1098781754 /nfs/dbraw/zinc/78/17/54/1098781754.db2.gz WXRCNEKCRIEEFI-UHFFFAOYSA-N 0 0 307.344 3.355 20 10 DGCDRN CC(C)Cc1nc(C(=O)NCc2c(O)cccc2F)cs1 ZINC001178412887 1098828588 /nfs/dbraw/zinc/82/85/88/1098828588.db2.gz JIDNWQVLTGUEQW-UHFFFAOYSA-N 0 0 308.378 3.116 20 10 DGCDRN Cc1ccc(C[C@H](C)C(=O)NCc2c(O)cccc2F)cc1 ZINC001178412860 1098829255 /nfs/dbraw/zinc/82/92/55/1098829255.db2.gz IOAVQTYIEOTDES-ZDUSSCGKSA-N 0 0 301.361 3.335 20 10 DGCDRN CNc1ccc(Cl)c(C(=O)NCc2c(O)cccc2F)c1 ZINC001178412849 1098829312 /nfs/dbraw/zinc/82/93/12/1098829312.db2.gz IGSDPNKKKURGRO-UHFFFAOYSA-N 0 0 308.740 3.156 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1c(F)cncc1F ZINC001178688955 1098909623 /nfs/dbraw/zinc/90/96/23/1098909623.db2.gz PJCPIWCUDVZIDR-ZETCQYMHSA-N 0 0 300.255 3.194 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@H]1CC[C@@H](C)O1 ZINC001178846729 1098951366 /nfs/dbraw/zinc/95/13/66/1098951366.db2.gz JNCNJKKAYKCCED-SUYBPPKGSA-N 0 0 317.429 3.316 20 10 DGCDRN [O-]c1c(Br)cc(F)cc1C[N@@H+]1CCC[C@H](CF)C1 ZINC001235303326 1098951460 /nfs/dbraw/zinc/95/14/60/1098951460.db2.gz MZWLTQATXUZSQN-SECBINFHSA-N 0 0 320.177 3.475 20 10 DGCDRN CC(C)COc1ccccc1C(=O)NCc1c(O)cccc1O ZINC001178910357 1098968858 /nfs/dbraw/zinc/96/88/58/1098968858.db2.gz CYNFGNZEZOMNRH-UHFFFAOYSA-N 0 0 315.369 3.063 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1cc2ccccc2cc1F ZINC001178917796 1098970352 /nfs/dbraw/zinc/97/03/52/1098970352.db2.gz SJEFOBMZVXPPPE-UHFFFAOYSA-N 0 0 311.312 3.320 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@H]1CCO[C@H]1C ZINC001178965693 1098984232 /nfs/dbraw/zinc/98/42/32/1098984232.db2.gz UKLGFWFROZFXEG-DCGLDWPTSA-N 0 0 317.429 3.174 20 10 DGCDRN Cn1nnc2cc(NCc3cc(Cl)cc(F)c3O)ccc21 ZINC001179021039 1098987625 /nfs/dbraw/zinc/98/76/25/1098987625.db2.gz QHWWDLLYMMNOQA-UHFFFAOYSA-N 0 0 306.728 3.079 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)[C@@H]1C[C@H]1c1ccncc1 ZINC001179033154 1099006376 /nfs/dbraw/zinc/00/63/76/1099006376.db2.gz UODAGIJFXFJPFV-DLBZAZTESA-N 0 0 318.376 3.360 20 10 DGCDRN C[C@H]1C(=O)CC[C@@H]1CC(=O)NCc1c(O)ccc2ccccc21 ZINC001179032498 1099007163 /nfs/dbraw/zinc/00/71/63/1099007163.db2.gz IWMZCHDSDBHQGV-TZMCWYRMSA-N 0 0 311.381 3.167 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc2ccncc2c1 ZINC001179686889 1099163252 /nfs/dbraw/zinc/16/32/52/1099163252.db2.gz DVLSUNMKTXRNCO-QHHAFSJGSA-N 0 0 306.321 3.298 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCN[C@H](c2ccccc2)C1 ZINC001235854004 1099214407 /nfs/dbraw/zinc/21/44/07/1099214407.db2.gz DGYUTQVZHYURRZ-INIZCTEOSA-N 0 0 302.805 3.192 20 10 DGCDRN CN(C)c1ccc(CN(C)Cc2ccnn2CC2CCC2)cc1 ZINC001179844915 1099218754 /nfs/dbraw/zinc/21/87/54/1099218754.db2.gz GYVLEDNNOKSOBQ-UHFFFAOYSA-N 0 0 312.461 3.381 20 10 DGCDRN O=C(/C=C/c1cc(F)c(F)cc1F)NCc1ccccc1O ZINC001179885899 1099238101 /nfs/dbraw/zinc/23/81/01/1099238101.db2.gz PTBFNDHEOCTFMN-AATRIKPKSA-N 0 0 307.271 3.139 20 10 DGCDRN Cc1cc(C)c(CNC(=O)Cc2ccc(C)c(F)c2)c(O)c1 ZINC001179941091 1099246686 /nfs/dbraw/zinc/24/66/86/1099246686.db2.gz MRMOFQNRLKVZHE-UHFFFAOYSA-N 0 0 301.361 3.315 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)NCc2ccc3c(c2)CCO3)cc1 ZINC001180129676 1099308017 /nfs/dbraw/zinc/30/80/17/1099308017.db2.gz BVOYUWMMBBQVFT-UXBLZVDNSA-N 0 0 322.408 3.017 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)N2CC[C@@](C)(F)[C@@H](F)C2)cc1 ZINC001180122886 1099320890 /nfs/dbraw/zinc/32/08/90/1099320890.db2.gz INWZMBVTBOBLGX-PQMVAPIISA-N 0 0 308.372 3.064 20 10 DGCDRN COc1ccccc1CC[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC001180188850 1099328346 /nfs/dbraw/zinc/32/83/46/1099328346.db2.gz JSANOZVFGOKZPY-UHFFFAOYSA-N 0 0 307.340 3.354 20 10 DGCDRN Nc1ccc2c(c1)CCN(Cc1cc(F)c(Cl)cc1O)C2 ZINC001236110042 1099398827 /nfs/dbraw/zinc/39/88/27/1099398827.db2.gz XRARYGZJVAJDEH-UHFFFAOYSA-N 0 0 306.768 3.325 20 10 DGCDRN Cc1nc2c(cccc2C(=O)NCc2cccc(Cl)c2O)o1 ZINC001180409846 1099412092 /nfs/dbraw/zinc/41/20/92/1099412092.db2.gz GOZRGSATQUHDMR-UHFFFAOYSA-N 0 0 316.744 3.425 20 10 DGCDRN CCc1ccc(OCC(=O)NCc2c(C)cc(C)cc2O)cc1 ZINC001180517723 1099435764 /nfs/dbraw/zinc/43/57/64/1099435764.db2.gz OPXSPLXIWDIOFY-UHFFFAOYSA-N 0 0 313.397 3.267 20 10 DGCDRN Nc1ccc2c(c1)CN(Cc1cc(F)c(Cl)cc1O)CC2 ZINC001236233803 1099488656 /nfs/dbraw/zinc/48/86/56/1099488656.db2.gz KNSZESLFLGZZQW-UHFFFAOYSA-N 0 0 306.768 3.325 20 10 DGCDRN Oc1ccc(Cl)cc1CN1CCc2cnc(C3CC3)nc2C1 ZINC001203665598 1099567411 /nfs/dbraw/zinc/56/74/11/1099567411.db2.gz OUNGWYPSIZQYTF-UHFFFAOYSA-N 0 0 315.804 3.271 20 10 DGCDRN Oc1cccc(F)c1CNc1ncc(Br)cc1F ZINC001187678084 1099572180 /nfs/dbraw/zinc/57/21/80/1099572180.db2.gz TYNARHCIAAYFTD-UHFFFAOYSA-N 0 0 315.117 3.440 20 10 DGCDRN O=C(NCc1cccc(O)c1O)Nc1ccc(F)c(Cl)c1 ZINC001187713593 1099584851 /nfs/dbraw/zinc/58/48/51/1099584851.db2.gz RFYRPNXDRCJIEZ-UHFFFAOYSA-N 0 0 310.712 3.212 20 10 DGCDRN CC(C)N(Cc1cc(F)cc(Cl)c1[O-])[C@@H]1CCC[NH2+]C1 ZINC001236470550 1099629582 /nfs/dbraw/zinc/62/95/82/1099629582.db2.gz KLEGFNOGVUHNKR-CYBMUJFWSA-N 0 0 300.805 3.147 20 10 DGCDRN Cc1ccc(NC(=O)N2CCc3cccc(O)c3C2)cc1F ZINC001187983075 1099648226 /nfs/dbraw/zinc/64/82/26/1099648226.db2.gz ZAACEEHBIUFYNX-UHFFFAOYSA-N 0 0 300.333 3.430 20 10 DGCDRN Oc1cncc(-c2ncnc3c2ccn3Cc2ccc(F)cc2)c1 ZINC001236574448 1099685003 /nfs/dbraw/zinc/68/50/03/1099685003.db2.gz SGCJNXOHCJHKRG-UHFFFAOYSA-N 0 0 320.327 3.386 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)Cc1nccnc1Cl ZINC001236623602 1099710579 /nfs/dbraw/zinc/71/05/79/1099710579.db2.gz GOMVQNZLHANEMO-UHFFFAOYSA-N 0 0 304.825 3.218 20 10 DGCDRN Cc1cc(Br)c(O)c(CN2CCC(=O)C[C@H]2C)c1 ZINC001236664356 1099729093 /nfs/dbraw/zinc/72/90/93/1099729093.db2.gz SVUMSRAVSRUHKG-SNVBAGLBSA-N 0 0 312.207 3.017 20 10 DGCDRN CCOc1ncc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cc1F ZINC001236696693 1099748137 /nfs/dbraw/zinc/74/81/37/1099748137.db2.gz JSZSXFPPDLAGCI-UHFFFAOYSA-N 0 0 317.408 3.317 20 10 DGCDRN CCc1ccc(C[N@@H+]2CCCN(c3ccccn3)CC2)c(O)c1 ZINC001236782861 1099780047 /nfs/dbraw/zinc/78/00/47/1099780047.db2.gz GEZKVDZCPHFQNI-UHFFFAOYSA-N 0 0 311.429 3.062 20 10 DGCDRN CCc1ccc(C[N@@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001236783121 1099781052 /nfs/dbraw/zinc/78/10/52/1099781052.db2.gz IFXNKKZNGWUUFI-OAHLLOKOSA-N 0 0 321.417 3.481 20 10 DGCDRN CCc1ccc(C[N@@H+]2CCc3cc4c(cc3C2)OCO4)c(O)c1 ZINC001236784772 1099782408 /nfs/dbraw/zinc/78/24/08/1099782408.db2.gz ZZTULPZBEMGLEG-UHFFFAOYSA-N 0 0 311.381 3.242 20 10 DGCDRN CCc1ccc(CN2CCc3nc(C4CC4)ncc3C2)c(O)c1 ZINC001236789674 1099785190 /nfs/dbraw/zinc/78/51/90/1099785190.db2.gz CZODLQPZHIODSJ-UHFFFAOYSA-N 0 0 309.413 3.180 20 10 DGCDRN [O-]c1cc(Cl)c(Cl)cc1C[N@H+]1CCC[C@](F)(CO)CC1 ZINC001236793404 1099786722 /nfs/dbraw/zinc/78/67/22/1099786722.db2.gz KLOLJZJAVKXIGG-CQSZACIVSA-N 0 0 322.207 3.386 20 10 DGCDRN [O-]c1cc(Cl)c(Cl)cc1C[NH+]1CCC2(COC2)CC1 ZINC001236793712 1099788654 /nfs/dbraw/zinc/78/86/54/1099788654.db2.gz NXJSAHSCXVOLTB-UHFFFAOYSA-N 0 0 302.201 3.311 20 10 DGCDRN [O-]c1cc(Cl)c(Cl)cc1C[NH+]1CC2(C1)CCOCC2 ZINC001236796487 1099789712 /nfs/dbraw/zinc/78/97/12/1099789712.db2.gz PKYRZPPCRFEDST-UHFFFAOYSA-N 0 0 302.201 3.311 20 10 DGCDRN Oc1cc(Cl)c(Cl)cc1CN1CCCCC12COC2 ZINC001236797335 1099789744 /nfs/dbraw/zinc/78/97/44/1099789744.db2.gz XDFKKJZGSWMCPM-UHFFFAOYSA-N 0 0 302.201 3.454 20 10 DGCDRN COc1cc(C)c(CN2CCC[C@@H](F)C(F)(F)C2)c(O)c1 ZINC001236807185 1099801123 /nfs/dbraw/zinc/80/11/23/1099801123.db2.gz DDTCTMDNMCIOCE-CQSZACIVSA-N 0 0 303.324 3.278 20 10 DGCDRN COc1ccc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c([O-])c1Cl ZINC001236812402 1099802017 /nfs/dbraw/zinc/80/20/17/1099802017.db2.gz VKOFKSIZAGDTFI-CYBMUJFWSA-N 0 0 318.804 3.439 20 10 DGCDRN Cc1c(F)cccc1NC(=O)N1CCc2cccc(O)c2C1 ZINC001189045792 1099938619 /nfs/dbraw/zinc/93/86/19/1099938619.db2.gz KXZDPEKFLOADSJ-UHFFFAOYSA-N 0 0 300.333 3.430 20 10 DGCDRN CC(C)c1ccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c(O)c1 ZINC001237044853 1099942002 /nfs/dbraw/zinc/94/20/02/1099942002.db2.gz DZUYMBQPQCSLRQ-CQSZACIVSA-N 0 0 303.324 3.015 20 10 DGCDRN COC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2O)[C@H]1C ZINC001237048415 1099942544 /nfs/dbraw/zinc/94/25/44/1099942544.db2.gz FWPFDBONMOTUCS-BBRMVZONSA-N 0 0 305.418 3.289 20 10 DGCDRN CCOc1ccc(C[N@H+](C)CCc2ccc(OC)cc2)c(O)c1 ZINC001237044972 1099942802 /nfs/dbraw/zinc/94/28/02/1099942802.db2.gz WBOUSGJIEMXZDH-UHFFFAOYSA-N 0 0 315.413 3.474 20 10 DGCDRN O=C1CN(Cc2c(O)ccc(Cl)c2Cl)CCC[C@@H]1F ZINC001237078640 1099958743 /nfs/dbraw/zinc/95/87/43/1099958743.db2.gz VTABSSQZWIVUOX-JTQLQIEISA-N 0 0 306.164 3.202 20 10 DGCDRN [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CCC[C@@H](CCO)C1 ZINC001237080783 1099959408 /nfs/dbraw/zinc/95/94/08/1099959408.db2.gz FNRMCLVJXJALHN-JTQLQIEISA-N 0 0 304.217 3.293 20 10 DGCDRN CC1(C)CN(Cc2c(O)cccc2OC(F)(F)F)CCC1=O ZINC001237121935 1099981012 /nfs/dbraw/zinc/98/10/12/1099981012.db2.gz CQYYYNPNDUKRNQ-UHFFFAOYSA-N 0 0 317.307 3.092 20 10 DGCDRN C[C@H]1CCN(Cc2c(O)cccc2OC(F)(F)F)CCC1=O ZINC001237120795 1099982775 /nfs/dbraw/zinc/98/27/75/1099982775.db2.gz SEETYGFBAMOCPX-JTQLQIEISA-N 0 0 317.307 3.092 20 10 DGCDRN Cc1cccc(O)c1C[N@@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC001237490189 1100141701 /nfs/dbraw/zinc/14/17/01/1100141701.db2.gz REUIUGDTATUAHM-OAHLLOKOSA-N 0 0 305.418 3.397 20 10 DGCDRN COC(=O)c1cc(OCc2nc(C)c(C)s2)ccc1N(C)C ZINC001189967842 1100158083 /nfs/dbraw/zinc/15/80/83/1100158083.db2.gz GOPOZNMIRJNYIL-UHFFFAOYSA-N 0 0 320.414 3.192 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC001237621088 1100190386 /nfs/dbraw/zinc/19/03/86/1100190386.db2.gz TZVOBSQKBJVROY-CQSZACIVSA-N 0 0 322.767 3.233 20 10 DGCDRN CO[C@@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237642053 1100199584 /nfs/dbraw/zinc/19/95/84/1100199584.db2.gz XUJOPZYLCZSGBU-QGZVFWFLSA-N 0 0 301.361 3.419 20 10 DGCDRN COC(=O)[C@@H](C)N(C)Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237647062 1100201320 /nfs/dbraw/zinc/20/13/20/1100201320.db2.gz RFFIIYZFTQNXQR-GFCCVEGCSA-N 0 0 317.360 3.192 20 10 DGCDRN Cc1cc(Cl)cc(CN2CCc3nc(Cl)ncc3C2)c1O ZINC001237687343 1100214534 /nfs/dbraw/zinc/21/45/34/1100214534.db2.gz XUWVALPEDHLSHP-UHFFFAOYSA-N 0 0 324.211 3.356 20 10 DGCDRN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC001237800835 1100251340 /nfs/dbraw/zinc/25/13/40/1100251340.db2.gz BYAGSSVTCIMFAE-CQSZACIVSA-N 0 0 322.767 3.233 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2cc(F)cc(Cl)c2[O-])CCC[C@@]1(C)O ZINC001237807942 1100253790 /nfs/dbraw/zinc/25/37/90/1100253790.db2.gz OSJPKVFGJRFJKN-MEBBXXQBSA-N 0 0 301.789 3.168 20 10 DGCDRN Oc1cc(Cl)c(F)cc1CN1CCO[C@@H](c2ccncc2)C1 ZINC001237949466 1100300304 /nfs/dbraw/zinc/30/03/04/1100300304.db2.gz MPFHTOCVALBKDA-MRXNPFEDSA-N 0 0 322.767 3.153 20 10 DGCDRN Oc1cccc2c1CN(Cc1cnc(C(F)(F)F)s1)CC2 ZINC001237953008 1100301712 /nfs/dbraw/zinc/30/17/12/1100301712.db2.gz VNVMWJSYYQEGIM-UHFFFAOYSA-N 0 0 314.332 3.426 20 10 DGCDRN CCOC(=O)C[C@H]1CC[N@H+](Cc2cc(F)cc(C)c2O)C[C@@H]1C ZINC001238067559 1100348866 /nfs/dbraw/zinc/34/88/66/1100348866.db2.gz UVKXOOZWYXPPST-UONOGXRCSA-N 0 0 323.408 3.251 20 10 DGCDRN O=C(NCCCc1ccccc1)N1CCc2cccc(O)c2C1 ZINC001191199720 1100419826 /nfs/dbraw/zinc/41/98/26/1100419826.db2.gz MFYRUCRTFBQBHR-UHFFFAOYSA-N 0 0 310.397 3.093 20 10 DGCDRN Cc1ccc2c(c1NC(=O)NC1CC1)C(=O)c1ccccc1C2=O ZINC001191477672 1100470125 /nfs/dbraw/zinc/47/01/25/1100470125.db2.gz DUOTWPHCOQDWSP-UHFFFAOYSA-N 0 0 320.348 3.054 20 10 DGCDRN C[C@H]1CC[C@H](NC(=O)N2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001191816611 1100517168 /nfs/dbraw/zinc/51/71/68/1100517168.db2.gz NENPMMBNRUQRIL-NNUKFRKNSA-N 0 0 318.417 3.134 20 10 DGCDRN O=C(NCc1cccc(O)c1O)Nc1ccc(OC(F)F)cc1 ZINC001192204377 1100586241 /nfs/dbraw/zinc/58/62/41/1100586241.db2.gz RFALULBZXHSQON-UHFFFAOYSA-N 0 0 324.283 3.021 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)O[C@H](C)CC(C)C)C2)cc1 ZINC001192415413 1100614944 /nfs/dbraw/zinc/61/49/44/1100614944.db2.gz DGCOPFGCDRREGE-HUUCEWRRSA-N 0 0 320.433 3.435 20 10 DGCDRN COc1cc(C(=O)Nc2cc(C3CCCC3)no2)cc(O)c1O ZINC001193081063 1100700068 /nfs/dbraw/zinc/70/00/68/1100700068.db2.gz JYEJOORBJDUPJP-UHFFFAOYSA-N 0 0 318.329 3.004 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2cnc3c(c2)OCCN3C)cn1 ZINC001239612864 1100703044 /nfs/dbraw/zinc/70/30/44/1100703044.db2.gz PWZVHOAAVUPEJU-UHFFFAOYSA-N 0 0 320.396 3.380 20 10 DGCDRN COc1cc(C(=O)Nc2ccccc2C(F)F)cc(O)c1O ZINC001193097645 1100704057 /nfs/dbraw/zinc/70/40/57/1100704057.db2.gz KBTXQZFBSCWXDN-UHFFFAOYSA-N 0 0 309.268 3.296 20 10 DGCDRN C[C@@]1(F)CCCCN(C(=O)c2ccc(O)c(O)c2Cl)C1 ZINC001193220196 1100718399 /nfs/dbraw/zinc/71/83/99/1100718399.db2.gz RAYHPXQTXQYZDX-CQSZACIVSA-N 0 0 301.745 3.106 20 10 DGCDRN C[C@]1(F)CCCCN(C(=O)c2ccc(O)c(O)c2Cl)C1 ZINC001193220195 1100718482 /nfs/dbraw/zinc/71/84/82/1100718482.db2.gz RAYHPXQTXQYZDX-AWEZNQCLSA-N 0 0 301.745 3.106 20 10 DGCDRN Cc1cc(O)cc(C)c1NC(=O)c1ccc(O)c(O)c1Cl ZINC001193230637 1100722036 /nfs/dbraw/zinc/72/20/36/1100722036.db2.gz YWAJJAYWGIKUMF-UHFFFAOYSA-N 0 0 307.733 3.326 20 10 DGCDRN CC(C)Cn1ccc(-c2cnn(Cc3ccccc3)c2)cc1=O ZINC001240004918 1100829335 /nfs/dbraw/zinc/82/93/35/1100829335.db2.gz KONXYFWMYYGVPG-UHFFFAOYSA-N 0 0 307.397 3.416 20 10 DGCDRN Cn1c(=O)ccc2ccc(-c3cnn(Cc4ccccc4)c3)cc21 ZINC001240004946 1100830079 /nfs/dbraw/zinc/83/00/79/1100830079.db2.gz CAKAYEGTXCPUOG-UHFFFAOYSA-N 0 0 315.376 3.450 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2cnc(C(C)(C)C)nc2)c(O)c1 ZINC001194013993 1100853761 /nfs/dbraw/zinc/85/37/61/1100853761.db2.gz URAYCEGIYILFDH-UHFFFAOYSA-N 0 0 313.401 3.027 20 10 DGCDRN O=c1cc(-c2ccc3nccn3c2)ccn1Cc1ccccc1 ZINC001240222041 1100901320 /nfs/dbraw/zinc/90/13/20/1100901320.db2.gz VKKSVOHWKOSTBY-UHFFFAOYSA-N 0 0 301.349 3.211 20 10 DGCDRN COC(=O)c1cc(-c2ccc3ccn(C)c3c2)c2nccn2c1 ZINC001240573920 1101056015 /nfs/dbraw/zinc/05/60/15/1101056015.db2.gz NGQRARKOOOXLGO-UHFFFAOYSA-N 0 0 305.337 3.280 20 10 DGCDRN Cn1ccc2ccc(-c3ccccc3NS(C)(=O)=O)cc21 ZINC001240575290 1101056231 /nfs/dbraw/zinc/05/62/31/1101056231.db2.gz XGVREAVJGZUQKM-UHFFFAOYSA-N 0 0 300.383 3.217 20 10 DGCDRN Cn1ccc2ccc(-c3cccn(-c4cccnc4)c3=O)cc21 ZINC001240576257 1101056550 /nfs/dbraw/zinc/05/65/50/1101056550.db2.gz PRZMJQHYOQHNQJ-UHFFFAOYSA-N 0 0 301.349 3.391 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2cnn([C@H]3CCOC3)c2)cn1 ZINC001240637392 1101079551 /nfs/dbraw/zinc/07/95/51/1101079551.db2.gz RIMVBLXPVBUFQD-KRWDZBQOSA-N 0 0 308.385 3.314 20 10 DGCDRN CC(C)Cn1ccc(-c2cnn([C@H]3CCCCO3)c2)cc1=O ZINC001240679777 1101094649 /nfs/dbraw/zinc/09/46/49/1101094649.db2.gz HGBNAQVAXIVDKT-QGZVFWFLSA-N 0 0 301.390 3.067 20 10 DGCDRN O=c1cc(-c2cnc(C3CC3)nc2)ccn1Cc1cccc(F)c1 ZINC001240687135 1101097390 /nfs/dbraw/zinc/09/73/90/1101097390.db2.gz LSMPSWGWLWIXQE-UHFFFAOYSA-N 0 0 321.355 3.370 20 10 DGCDRN O=C(N[C@H]1C[C@H](O)C1)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195278551 1101111273 /nfs/dbraw/zinc/11/12/73/1101111273.db2.gz IAAIUTMBAWQLKR-SFMDNZKFSA-N 0 0 311.341 3.061 20 10 DGCDRN CCc1nnc(CN2C[C@H](C(C)C)Cc3cc(OC)ccc32)[nH]1 ZINC001195321857 1101112836 /nfs/dbraw/zinc/11/28/36/1101112836.db2.gz BDSZHLNUARSLEJ-CQSZACIVSA-N 0 0 314.433 3.211 20 10 DGCDRN Cc1cncnc1C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001195363401 1101125868 /nfs/dbraw/zinc/12/58/68/1101125868.db2.gz UYGSBYBSXSIDHI-UHFFFAOYSA-N 0 0 318.380 3.214 20 10 DGCDRN COc1cccc(NC(=S)NCc2cccc(C)c2O)c1 ZINC001196073285 1101245351 /nfs/dbraw/zinc/24/53/51/1101245351.db2.gz BKFVBKCJCXOPNL-UHFFFAOYSA-N 0 0 302.399 3.196 20 10 DGCDRN Cc1cc(F)ccc1NC(=S)NCCc1ccc(O)c(O)c1 ZINC001196137361 1101253761 /nfs/dbraw/zinc/25/37/61/1101253761.db2.gz URCNJODDCGZMLP-UHFFFAOYSA-N 0 0 320.389 3.074 20 10 DGCDRN Cc1cccc(NC(=S)NCc2cccc3ccnn32)c1C ZINC001196439909 1101302256 /nfs/dbraw/zinc/30/22/56/1101302256.db2.gz QOXPGFHXTWFUTE-UHFFFAOYSA-N 0 0 310.426 3.438 20 10 DGCDRN COc1nc(C2=CCN(c3ccccc3)CC2)cn2ccnc12 ZINC001241355148 1101400429 /nfs/dbraw/zinc/40/04/29/1101400429.db2.gz PWUJGAJBKSMUBE-UHFFFAOYSA-N 0 0 306.369 3.032 20 10 DGCDRN COc1ncc(C)cc1-c1ccn(Cc2cccc(F)c2)c(=O)c1 ZINC001241366550 1101407472 /nfs/dbraw/zinc/40/74/72/1101407472.db2.gz ILPHNVXEVGYLGM-UHFFFAOYSA-N 0 0 324.355 3.415 20 10 DGCDRN CN(C)c1ccc(-c2cc(N3CCc4ccccc43)ncn2)cn1 ZINC001241369083 1101409388 /nfs/dbraw/zinc/40/93/88/1101409388.db2.gz IXJCSVJNQQFIGV-UHFFFAOYSA-N 0 0 317.396 3.299 20 10 DGCDRN COc1ncc(-c2cc(N3CCc4ccccc43)ncn2)s1 ZINC001241413085 1101440867 /nfs/dbraw/zinc/44/08/67/1101440867.db2.gz OCKZVFCKHADADR-UHFFFAOYSA-N 0 0 310.382 3.303 20 10 DGCDRN CCOc1cccc(CNC(=S)Nc2ccc(C)cc2)n1 ZINC001197952306 1101714093 /nfs/dbraw/zinc/71/40/93/1101714093.db2.gz NWZAWMXGQJZBPZ-UHFFFAOYSA-N 0 0 301.415 3.275 20 10 DGCDRN CCOC(=O)c1c[nH]c2c1ncnc2-c1cccc2c1ccn2C ZINC001241819666 1101726812 /nfs/dbraw/zinc/72/68/12/1101726812.db2.gz PXMKAPUWYUHEGP-UHFFFAOYSA-N 0 0 320.352 3.293 20 10 DGCDRN O=c1cc(-c2cnn(C3CC3)c2)ccn1Cc1ccc(F)cc1 ZINC001241910368 1101775780 /nfs/dbraw/zinc/77/57/80/1101775780.db2.gz NYMOCIYKFMZHMM-UHFFFAOYSA-N 0 0 309.344 3.234 20 10 DGCDRN C[C@@H]1CC[C@@H](C[NH3+])N(Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001205851779 1101965302 /nfs/dbraw/zinc/96/53/02/1101965302.db2.gz BORFVSWLCXRIJX-ZJUUUORDSA-N 0 0 303.233 3.258 20 10 DGCDRN O=c1cc(-c2cncc(C3CC3)c2)ccn1Cc1ccncc1 ZINC001242197062 1101970982 /nfs/dbraw/zinc/97/09/82/1101970982.db2.gz JWISPCLYVCVLSZ-UHFFFAOYSA-N 0 0 303.365 3.231 20 10 DGCDRN Cc1cc(NS(=O)(=O)c2ccc3occc3c2)ccc1O ZINC001198857071 1102003867 /nfs/dbraw/zinc/00/38/67/1102003867.db2.gz ROMVQYYSHIAQAY-UHFFFAOYSA-N 0 0 303.339 3.248 20 10 DGCDRN Cc1ncc(-c2ncnc3c2ccn3Cc2ccccc2)cc1N ZINC001242409119 1102109834 /nfs/dbraw/zinc/10/98/34/1102109834.db2.gz LLCIDCWVTSOABF-UHFFFAOYSA-N 0 0 315.380 3.432 20 10 DGCDRN Cn1c(=O)cc(-c2ccc(OC(F)F)nc2)c2ccccc21 ZINC001242422030 1102121361 /nfs/dbraw/zinc/12/13/61/1102121361.db2.gz GUQMBDTZZKGFMJ-UHFFFAOYSA-N 0 0 302.280 3.202 20 10 DGCDRN Nc1cncc(-c2ncnc3c2ccn3Cc2ccccc2)c1 ZINC001242497894 1102172036 /nfs/dbraw/zinc/17/20/36/1102172036.db2.gz VDOURRTYWQOSKK-UHFFFAOYSA-N 0 0 301.353 3.124 20 10 DGCDRN Oc1cc2ccccc2cc1CNC(=S)Nc1cccnc1 ZINC001199910160 1102243015 /nfs/dbraw/zinc/24/30/15/1102243015.db2.gz PYVNAJXONGUBIB-UHFFFAOYSA-N 0 0 309.394 3.427 20 10 DGCDRN Cc1cccc(CNC(=S)Nc2ccc(-n3cccn3)cc2)n1 ZINC001200873319 1102431220 /nfs/dbraw/zinc/43/12/20/1102431220.db2.gz UWWQDQUKWZYULK-UHFFFAOYSA-N 0 0 323.425 3.062 20 10 DGCDRN CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001200961786 1102446933 /nfs/dbraw/zinc/44/69/33/1102446933.db2.gz ZGGGQPPCYVZSQA-UKRRQHHQSA-N 0 0 310.419 3.454 20 10 DGCDRN CSc1ccc(NC(=S)NCc2cccc(O)c2O)cc1 ZINC001201193200 1102512811 /nfs/dbraw/zinc/51/28/11/1102512811.db2.gz JZHLTNWHDMSQCI-UHFFFAOYSA-N 0 0 320.439 3.306 20 10 DGCDRN Cc1nc(C)c(NC(=O)NCc2cc(Cl)ccc2O)s1 ZINC001201439100 1102603796 /nfs/dbraw/zinc/60/37/96/1102603796.db2.gz FIVYBVPLDDVWQE-UHFFFAOYSA-N 0 0 311.794 3.441 20 10 DGCDRN Cc1nc(Br)ccc1-c1ccn(CC2CC2)c(=O)c1 ZINC001243556585 1102802159 /nfs/dbraw/zinc/80/21/59/1102802159.db2.gz KDSBAXLGEAJCGG-UHFFFAOYSA-N 0 0 319.202 3.391 20 10 DGCDRN COC(=O)COc1ccc(-c2cccc3c2cc(C)n3C)cn1 ZINC001243633251 1102868605 /nfs/dbraw/zinc/86/86/05/1102868605.db2.gz FNUNNZUPMFRZTI-UHFFFAOYSA-N 0 0 310.353 3.101 20 10 DGCDRN O=c1cc(-c2cc(C3CC3)cnc2F)ccn1Cc1ccccn1 ZINC001243873603 1103023212 /nfs/dbraw/zinc/02/32/12/1103023212.db2.gz HVDDAHVXTXBBRY-UHFFFAOYSA-N 0 0 321.355 3.370 20 10 DGCDRN Nc1cc(Cl)ccc1-c1ccn(CC(F)(F)F)c(=O)c1 ZINC001244202525 1103278326 /nfs/dbraw/zinc/27/83/26/1103278326.db2.gz RQYKMMDVNQCOQI-UHFFFAOYSA-N 0 0 302.683 3.313 20 10 DGCDRN Nc1ccc(F)cc1-c1ccn(Cc2ccccc2F)c(=O)c1 ZINC001244400253 1103409128 /nfs/dbraw/zinc/40/91/28/1103409128.db2.gz HKBVITSKHPGHEP-UHFFFAOYSA-N 0 0 312.319 3.424 20 10 DGCDRN Cc1cc(-c2nnc([C@H]3CCO[C@H]3C)o2)c(C)n1-c1ccccn1 ZINC001327071488 1103512941 /nfs/dbraw/zinc/51/29/41/1103512941.db2.gz NHCWQFQHUQINAP-KBPBESRZSA-N 0 0 324.384 3.432 20 10 DGCDRN Cc1nn(C(C)C)cc1C(=O)Nc1c2nonc2ccc1Cl ZINC001327589917 1103688634 /nfs/dbraw/zinc/68/86/34/1103688634.db2.gz PYKYHWAMRIAHBX-UHFFFAOYSA-N 0 0 319.752 3.214 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CC3(CC3(F)F)C2)c1 ZINC001327607519 1103692107 /nfs/dbraw/zinc/69/21/07/1103692107.db2.gz PGGWSOXZQRDWHP-IEBVAXJPSA-N 0 0 311.328 3.017 20 10 DGCDRN CN(C)c1cc(F)c(CNc2ccnn2CC2CC2)cc1F ZINC001328687918 1104022549 /nfs/dbraw/zinc/02/25/49/1104022549.db2.gz DCOKULKBSYSSRR-UHFFFAOYSA-N 0 0 306.360 3.249 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)cc1F ZINC001328739797 1104048838 /nfs/dbraw/zinc/04/88/38/1104048838.db2.gz DEQNFNLLEQXWLO-KFKAGJAMSA-N 0 0 324.399 3.094 20 10 DGCDRN COC(=O)c1cnc(-c2c[nH]c3ncc(F)cc23)c2ccn(C)c21 ZINC001245428440 1104051379 /nfs/dbraw/zinc/05/13/79/1104051379.db2.gz WJCJEUKWXSRRHW-UHFFFAOYSA-N 0 0 324.315 3.042 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1cc(F)c(F)cc1F)CCC2 ZINC001137892511 1104053591 /nfs/dbraw/zinc/05/35/91/1104053591.db2.gz VSRAXNXBEGITBI-UHFFFAOYSA-N 0 0 323.314 3.464 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2cnc3c(c2)NCCO3)cn1 ZINC001245548806 1104117123 /nfs/dbraw/zinc/11/71/23/1104117123.db2.gz IRWOOKFSZZHZMV-UHFFFAOYSA-N 0 0 306.369 3.355 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cccnc1OCC ZINC001329038862 1104132759 /nfs/dbraw/zinc/13/27/59/1104132759.db2.gz XMBLHMCQKKKIQA-UHFFFAOYSA-N 0 0 314.385 3.238 20 10 DGCDRN COc1ccc(N(C)Cc2ccc(F)c(OC)c2)cc1OC ZINC001329103829 1104154104 /nfs/dbraw/zinc/15/41/04/1104154104.db2.gz BKOAZYKVELAPNB-UHFFFAOYSA-N 0 0 305.349 3.488 20 10 DGCDRN C[C@H](CC(=O)NCc1ccc2c(c1)CCCN2C)c1ccco1 ZINC001329207829 1104189792 /nfs/dbraw/zinc/18/97/92/1104189792.db2.gz BKDIBYKLPRMGBR-CQSZACIVSA-N 0 0 312.413 3.472 20 10 DGCDRN CSc1cnc(F)c(-c2cc(=O)n(C)c3ccccc23)c1 ZINC001245766111 1104227226 /nfs/dbraw/zinc/22/72/26/1104227226.db2.gz ZJTXEUREJWXKLD-UHFFFAOYSA-N 0 0 300.358 3.462 20 10 DGCDRN COCc1cc(N2Cc3cccc(O)c3C2)nc(C(C)(C)C)n1 ZINC001329361783 1104230661 /nfs/dbraw/zinc/23/06/61/1104230661.db2.gz AIDAECIRYFZIQN-UHFFFAOYSA-N 0 0 313.401 3.146 20 10 DGCDRN COc1ccc(CNC(=O)N[C@H](C)c2ccccc2O)c(C)c1 ZINC001329515996 1104293979 /nfs/dbraw/zinc/29/39/79/1104293979.db2.gz IECZNXPDHSQYRQ-CYBMUJFWSA-N 0 0 314.385 3.270 20 10 DGCDRN CCCCN1CC[C@@]2(CCCN2c2ccc(OC)cc2C)C1=O ZINC001274873796 1104526890 /nfs/dbraw/zinc/52/68/90/1104526890.db2.gz BYGYDFOWJSWBAX-IBGZPJMESA-N 0 0 316.445 3.375 20 10 DGCDRN O=C(c1c(F)ccc(O)c1O)N1CCC(C2CCCC2)CC1 ZINC001330572413 1104579728 /nfs/dbraw/zinc/57/97/28/1104579728.db2.gz QGBKCGKTWGTXBJ-UHFFFAOYSA-N 0 0 307.365 3.279 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)c1ncnc2scnc21 ZINC001330653806 1104607469 /nfs/dbraw/zinc/60/74/69/1104607469.db2.gz SCYGGOSXEOCIHQ-UHFFFAOYSA-N 0 0 313.430 3.179 20 10 DGCDRN Cc1cc(NC(=O)N[C@@H](C)c2ccccc2O)nn1C(C)C ZINC001330707878 1104625863 /nfs/dbraw/zinc/62/58/63/1104625863.db2.gz IDFXTWUDGRBHRH-LBPRGKRZSA-N 0 0 302.378 3.361 20 10 DGCDRN Fc1cccc(F)c1NC(=S)NCc1cccc(Cl)n1 ZINC001247104713 1104802478 /nfs/dbraw/zinc/80/24/78/1104802478.db2.gz PDOVVUNUALXCCQ-UHFFFAOYSA-N 0 0 313.760 3.500 20 10 DGCDRN Oc1cccc(NC(=S)Nc2c(F)cc(F)cc2F)c1O ZINC001247422483 1104899583 /nfs/dbraw/zinc/89/95/83/1104899583.db2.gz LSPHTUSGHIKEIE-UHFFFAOYSA-N 0 0 314.288 3.324 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2noc(C3(C)COC3)n2)cc1 ZINC001247463262 1104908985 /nfs/dbraw/zinc/90/89/85/1104908985.db2.gz JCGCRKGLFFDNJL-UHFFFAOYSA-N 0 0 309.369 3.432 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2noc([C@H]3C[C@@H](O)C3)n2)cc1 ZINC001247768475 1104978089 /nfs/dbraw/zinc/97/80/89/1104978089.db2.gz LZWODTCIQGADQW-FZNQNYSPSA-N 0 0 309.369 3.382 20 10 DGCDRN CN(C)c1ccccc1-c1noc(/C=C/c2ccc(O)c(O)c2)n1 ZINC001247981977 1105027907 /nfs/dbraw/zinc/02/79/07/1105027907.db2.gz KCBUNCHFDWTAIT-CSKARUKUSA-N 0 0 323.352 3.384 20 10 DGCDRN C[C@@H](NC(=O)NCc1cc2ccccc2[nH]1)c1ccccc1O ZINC001248680409 1105144746 /nfs/dbraw/zinc/14/47/46/1105144746.db2.gz IRTSQZFLMAXHCT-GFCCVEGCSA-N 0 0 309.369 3.434 20 10 DGCDRN CC1(C)C=Cc2c(O)c(CN3CCC[C@H](F)C(=O)C3)ccc2O1 ZINC001249223573 1105249377 /nfs/dbraw/zinc/24/93/77/1105249377.db2.gz HRHFMHQCUDDGSC-AWEZNQCLSA-N 0 0 319.376 3.079 20 10 DGCDRN COc1cc(OC)c(N(CCO)c2ccc(N)cc2)cc1Cl ZINC001250096644 1105441524 /nfs/dbraw/zinc/44/15/24/1105441524.db2.gz AVHRDEHOKKSFJU-UHFFFAOYSA-N 0 0 322.792 3.070 20 10 DGCDRN Cc1ccc(CC[NH2+]Cc2cccc(Br)c2[O-])nc1 ZINC000689483505 1105442160 /nfs/dbraw/zinc/44/21/60/1105442160.db2.gz CEGRTBOKCRTEEU-UHFFFAOYSA-N 0 0 321.218 3.190 20 10 DGCDRN Cc1cc(CN2CCSCC2)c(O)cc1Br ZINC001250120535 1105445466 /nfs/dbraw/zinc/44/54/66/1105445466.db2.gz HNMVPURHLDVAHT-UHFFFAOYSA-N 0 0 302.237 3.012 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)CCCc2nccs2)c1 ZINC001137473644 1105529341 /nfs/dbraw/zinc/52/93/41/1105529341.db2.gz QBLLGGOOYZURNW-NSHDSACASA-N 0 0 320.414 3.057 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCc2ccc(C)c(F)c2)c1 ZINC001251221910 1105640918 /nfs/dbraw/zinc/64/09/18/1105640918.db2.gz ZOUQNHXUCQHCDN-UHFFFAOYSA-N 0 0 302.349 3.148 20 10 DGCDRN COc1cc2nc(-c3cc(O)c(O)cc3O)[nH]c2cc1Cl ZINC001251355412 1105652450 /nfs/dbraw/zinc/65/24/50/1105652450.db2.gz JULFROVXPKNBCR-UHFFFAOYSA-N 0 0 306.705 3.009 20 10 DGCDRN Cc1cc(C)c(S(=O)(=O)Nc2cccc(N(C)C)c2)c(C)c1 ZINC001251496933 1105664118 /nfs/dbraw/zinc/66/41/18/1105664118.db2.gz SAAZZKBATFGACR-UHFFFAOYSA-N 0 0 318.442 3.479 20 10 DGCDRN CCCC[C@H](O)C[NH2+]Cc1cc(Cl)c2cccnc2c1[O-] ZINC001252112457 1105741793 /nfs/dbraw/zinc/74/17/93/1105741793.db2.gz OAVGFSAKKBFMNS-LBPRGKRZSA-N 0 0 308.809 3.235 20 10 DGCDRN CC(C)(C)[C@H](O)C[NH2+]Cc1cc(Cl)c2cccnc2c1[O-] ZINC001253743239 1105978616 /nfs/dbraw/zinc/97/86/16/1105978616.db2.gz PRCZOBLRCCSRAD-CYBMUJFWSA-N 0 0 308.809 3.090 20 10 DGCDRN Nc1ccc(CCn2cc(CCCc3ccccc3)nn2)cc1 ZINC001254081046 1106015558 /nfs/dbraw/zinc/01/55/58/1106015558.db2.gz JBHNFEDFZOENOB-UHFFFAOYSA-N 0 0 306.413 3.278 20 10 DGCDRN CCOc1ccc(-c2cn(CCc3ccc(N)cc3)nn2)cc1 ZINC001254081064 1106015777 /nfs/dbraw/zinc/01/57/77/1106015777.db2.gz JTMPVTCLQDWGGH-UHFFFAOYSA-N 0 0 308.385 3.169 20 10 DGCDRN O=C(NCCCSc1nccs1)N1CC2CCC1CC2 ZINC001254099203 1106018390 /nfs/dbraw/zinc/01/83/90/1106018390.db2.gz XZDOFOIQUIZDHI-UHFFFAOYSA-N 0 0 311.476 3.209 20 10 DGCDRN C/C(=C\C(=O)N(C)c1nsc2ccccc21)c1cnccn1 ZINC001278800037 1106115246 /nfs/dbraw/zinc/11/52/46/1106115246.db2.gz BLKQVEKNGHUESR-PKNBQFBNSA-N 0 0 310.382 3.153 20 10 DGCDRN Cc1ccc(C)c(S(=O)(=O)Nc2cc(F)c(O)cc2F)c1 ZINC001254794390 1106142360 /nfs/dbraw/zinc/14/23/60/1106142360.db2.gz RUXXDQQWBUPXCF-UHFFFAOYSA-N 0 0 313.325 3.088 20 10 DGCDRN O=S(=O)(Nc1ccc(O)c2ccccc12)c1cccc(F)c1 ZINC001255642349 1106282348 /nfs/dbraw/zinc/28/23/48/1106282348.db2.gz AODGHIPQJHKEJU-UHFFFAOYSA-N 0 0 317.341 3.485 20 10 DGCDRN COC(=O)CCCc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256935518 1106513801 /nfs/dbraw/zinc/51/38/01/1106513801.db2.gz NANVDPVGKGJEKX-UHFFFAOYSA-N 0 0 311.341 3.023 20 10 DGCDRN CCn1nccc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256940688 1106514437 /nfs/dbraw/zinc/51/44/37/1106514437.db2.gz KHRFFBHDOPFYOA-UHFFFAOYSA-N 0 0 305.341 3.411 20 10 DGCDRN CCOC(=O)CCc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256961800 1106515819 /nfs/dbraw/zinc/51/58/19/1106515819.db2.gz WUEOAONDHLCSES-UHFFFAOYSA-N 0 0 311.341 3.023 20 10 DGCDRN O=C1CC[C@@H](Cc2nnc(-c3ccc(-n4cccc4)cc3)o2)C1 ZINC001256965579 1106517409 /nfs/dbraw/zinc/51/74/09/1106517409.db2.gz FIGINLXYWNUIBO-CYBMUJFWSA-N 0 0 307.353 3.439 20 10 DGCDRN CCOC(=O)[C@H](C)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256970549 1106518577 /nfs/dbraw/zinc/51/85/77/1106518577.db2.gz UUXBBCUGYIDAHS-GFCCVEGCSA-N 0 0 311.341 3.194 20 10 DGCDRN COc1cnc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)o1 ZINC001256981852 1106521246 /nfs/dbraw/zinc/52/12/46/1106521246.db2.gz SPYLOQRZVAHLIW-UHFFFAOYSA-N 0 0 308.297 3.191 20 10 DGCDRN CC[C@@H]([NH2+]CCOCCCO)c1ccc(Cl)c(Cl)c1[O-] ZINC001257445483 1106591128 /nfs/dbraw/zinc/59/11/28/1106591128.db2.gz YMFSQMQLMFOMGO-GFCCVEGCSA-N 0 0 322.232 3.139 20 10 DGCDRN CCOC(=O)CN(Cc1ccc(N2CCCC2)cc1)C1CCC1 ZINC001320287846 1106948644 /nfs/dbraw/zinc/94/86/44/1106948644.db2.gz GTWDZXKSENXPGC-UHFFFAOYSA-N 0 0 316.445 3.204 20 10 DGCDRN CCN1C(=O)/C(=C\c2nc3c(s2)C[C@H](C)CC3)SC1=S ZINC001320399803 1106993953 /nfs/dbraw/zinc/99/39/53/1106993953.db2.gz WKQGUNKLYOXXJO-XAPLUZPNSA-N 0 0 324.496 3.489 20 10 DGCDRN Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(O)c(C)c1C ZINC001258926836 1107059281 /nfs/dbraw/zinc/05/92/81/1107059281.db2.gz GKBCDEYJQFQADP-UHFFFAOYSA-N 0 0 309.362 3.257 20 10 DGCDRN Cc1ccc(S(=O)(=O)Nc2cc(F)c(O)cc2F)c(C)c1 ZINC001259101147 1107080038 /nfs/dbraw/zinc/08/00/38/1107080038.db2.gz RGSBGLKKUJVZAA-UHFFFAOYSA-N 0 0 313.325 3.088 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3C(C)C)CC2)cc1 ZINC001320679171 1107101949 /nfs/dbraw/zinc/10/19/49/1107101949.db2.gz IECDUWFJFDUDQR-QZTJIDSGSA-N 0 0 316.445 3.026 20 10 DGCDRN Cc1ccc(S(=O)(=O)Nc2c(C)cc(O)cc2C)cc1F ZINC001259480340 1107146525 /nfs/dbraw/zinc/14/65/25/1107146525.db2.gz BCXLAVDGFIGYFX-UHFFFAOYSA-N 0 0 309.362 3.257 20 10 DGCDRN COc1cc(CN(C)Cc2cc(C(C)(C)C)n[nH]2)c(O)cc1C ZINC001320848981 1107161573 /nfs/dbraw/zinc/16/15/73/1107161573.db2.gz PJLPDEUOUXKWRV-UHFFFAOYSA-N 0 0 317.433 3.362 20 10 DGCDRN O=C(Cc1cc(F)ccc1F)Nc1c2nonc2ccc1Cl ZINC001321103697 1107250478 /nfs/dbraw/zinc/25/04/78/1107250478.db2.gz RECGSGFSLMKVDC-UHFFFAOYSA-N 0 0 323.686 3.336 20 10 DGCDRN O=S(=O)(Cc1cccc(Cl)c1)Nc1ccc(O)cc1F ZINC001260832341 1107324606 /nfs/dbraw/zinc/32/46/06/1107324606.db2.gz JALZTYAFPPZWGK-UHFFFAOYSA-N 0 0 315.753 3.127 20 10 DGCDRN CCOC(=O)C[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC001321863030 1107451120 /nfs/dbraw/zinc/45/11/20/1107451120.db2.gz HKEKNXYNVNDGAP-JTQLQIEISA-N 0 0 315.772 3.102 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)c2occ(C)c2C)cc1 ZINC001261505955 1107454155 /nfs/dbraw/zinc/45/41/55/1107454155.db2.gz BSYALGDYFGFXDO-UHFFFAOYSA-N 0 0 316.401 3.113 20 10 DGCDRN CC[C@H](C)N(CC)C(=O)NCc1ccc2c(c1)CCCN2C ZINC001261655503 1107494789 /nfs/dbraw/zinc/49/47/89/1107494789.db2.gz YHDWAHJXMUQEBS-AWEZNQCLSA-N 0 0 303.450 3.399 20 10 DGCDRN Cc1ccccc1[C@H]1CCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001262603934 1107735700 /nfs/dbraw/zinc/73/57/00/1107735700.db2.gz ZVYOCNGLFHUQFJ-INIZCTEOSA-N 0 0 309.413 3.276 20 10 DGCDRN Cc1cccc2c1C(=O)N[C@H](c1ccc(N3CCCC3)cc1)N2 ZINC001317901753 1107739070 /nfs/dbraw/zinc/73/90/70/1107739070.db2.gz QXGSWMBQEFDNDQ-GOSISDBHSA-N 0 0 307.397 3.449 20 10 DGCDRN C[C@H]1CN(c2nnc(C3SC=CC3=O)n2C)CC(C)(C)C1 ZINC001262854616 1107847078 /nfs/dbraw/zinc/84/70/78/1107847078.db2.gz QQGFYGDSNHFRCN-SNVBAGLBSA-N 0 0 306.435 3.122 20 10 DGCDRN CCc1ccc(C(=O)NCc2cccc(OC)c2O)cc1CC ZINC001323445441 1107978907 /nfs/dbraw/zinc/97/89/07/1107978907.db2.gz MOCSFERSUHCORX-UHFFFAOYSA-N 0 0 313.397 3.456 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CC2(C(F)(F)F)CC2)cc1 ZINC001323464934 1107981654 /nfs/dbraw/zinc/98/16/54/1107981654.db2.gz FPRPHWLNVVEOKW-UHFFFAOYSA-N 0 0 300.324 3.101 20 10 DGCDRN CCCOC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000586478515 1108091498 /nfs/dbraw/zinc/09/14/98/1108091498.db2.gz OPPDJEGWNBBYBK-UHFFFAOYSA-N 0 0 309.321 3.421 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)OC1CCCCC1 ZINC001318575896 1108105677 /nfs/dbraw/zinc/10/56/77/1108105677.db2.gz CHNQOWAYEFALGV-OAHLLOKOSA-N 0 0 318.461 3.415 20 10 DGCDRN O=C1CCc2nc(NCc3c(O)ccc4c3CCCC4)ccc21 ZINC001323996085 1108141515 /nfs/dbraw/zinc/14/15/15/1108141515.db2.gz GEDALQMFGRTPCV-UHFFFAOYSA-N 0 0 308.381 3.407 20 10 DGCDRN COC1CCC(CC(=O)Nc2c3nonc3ccc2Cl)CC1 ZINC001324142293 1108187271 /nfs/dbraw/zinc/18/72/71/1108187271.db2.gz ZRKUNSUJKYQIFI-UHFFFAOYSA-N 0 0 323.780 3.410 20 10 DGCDRN C[C@H](C(=O)N(C)Cc1ccccc1O)c1ccc(F)c(F)c1 ZINC001319158332 1108343011 /nfs/dbraw/zinc/34/30/11/1108343011.db2.gz WCACQAOBRPWTRK-NSHDSACASA-N 0 0 305.324 3.433 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2nocc2C)cc1 ZINC001319409739 1108450887 /nfs/dbraw/zinc/45/08/87/1108450887.db2.gz YQKISIPDPLDHEJ-UHFFFAOYSA-N 0 0 316.405 3.493 20 10 DGCDRN CCOc1ccc(N2CCN([C@H](C)c3ncc(C)o3)CC2)cc1 ZINC001319753427 1108623070 /nfs/dbraw/zinc/62/30/70/1108623070.db2.gz KEEATXGTDJJCFJ-OAHLLOKOSA-N 0 0 315.417 3.265 20 10 DGCDRN COc1ccc(N(C)Cc2ccc([S@@](C)=O)cc2)cc1F ZINC001319939468 1108704344 /nfs/dbraw/zinc/70/43/44/1108704344.db2.gz IBFXOYNUUQCJCY-OAQYLSRUSA-N 0 0 307.390 3.208 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CO[C@H](C3CC3)C2)cc1 ZINC001287542656 1110119447 /nfs/dbraw/zinc/11/94/47/1110119447.db2.gz OTPJOLFWBCELFF-MJGOQNOKSA-N 0 0 324.424 3.391 20 10 DGCDRN Cc1cc(CNC(=O)COC(C)C)c(C)n1-c1cccc(C)c1 ZINC001287661525 1110128779 /nfs/dbraw/zinc/12/87/79/1110128779.db2.gz VJIMHYIQBWQTIU-UHFFFAOYSA-N 0 0 314.429 3.444 20 10 DGCDRN CNc1ccc(C(=O)NCc2cc(C)ccc2O)c(Cl)c1 ZINC001301047289 1111079942 /nfs/dbraw/zinc/07/99/42/1111079942.db2.gz VVYWEEXGDHSART-UHFFFAOYSA-N 0 0 304.777 3.326 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)COc2ccc(F)c(Cl)c2)c1 ZINC001301046823 1111079948 /nfs/dbraw/zinc/07/99/48/1111079948.db2.gz MKFPBYXRQUAMGZ-UHFFFAOYSA-N 0 0 323.751 3.188 20 10 DGCDRN C[C@H](NC(=O)c1cccc(OC(C)(C)C)n1)c1ccccc1O ZINC001302537953 1111117038 /nfs/dbraw/zinc/11/70/38/1111117038.db2.gz BFKWHXIMRHIUCV-LBPRGKRZSA-N 0 0 314.385 3.456 20 10 DGCDRN C[C@H](NC(=O)[C@](C)(O)c1ccc(Cl)cc1)c1ccccc1O ZINC001302538322 1111117282 /nfs/dbraw/zinc/11/72/82/1111117282.db2.gz NKJWRWMQLCSDTP-APPDUMDISA-N 0 0 319.788 3.131 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(-c2ccccn2)nc1)c1ccccc1O ZINC001302532478 1111117470 /nfs/dbraw/zinc/11/74/70/1111117470.db2.gz FERGUKSHROACRL-CYBMUJFWSA-N 0 0 319.364 3.340 20 10 DGCDRN Cc1cc(C(=O)NCc2cccc(O)c2O)c2nccc(C)c2c1 ZINC001303195159 1111136778 /nfs/dbraw/zinc/13/67/78/1111136778.db2.gz RGRJKNULYOMLDD-UHFFFAOYSA-N 0 0 322.364 3.193 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ncsc1C1CC1 ZINC001303223471 1111137515 /nfs/dbraw/zinc/13/75/15/1111137515.db2.gz QWMYJELENATQGN-QHHAFSJGSA-N 0 0 302.355 3.084 20 10 DGCDRN C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1c(O)cccc1F ZINC001303875249 1111156484 /nfs/dbraw/zinc/15/64/84/1111156484.db2.gz DFKHRWUEDIROHU-JTQLQIEISA-N 0 0 323.751 3.268 20 10 DGCDRN CC(C)(C)c1ccc(C(=O)NCc2c(O)cccc2F)nc1 ZINC001303876017 1111156499 /nfs/dbraw/zinc/15/64/99/1111156499.db2.gz SUBDRQQYYDRSBS-UHFFFAOYSA-N 0 0 302.349 3.154 20 10 DGCDRN COCc1cncc(C(=O)NCc2c(O)ccc3ccccc32)c1 ZINC001304090693 1111165726 /nfs/dbraw/zinc/16/57/26/1111165726.db2.gz NYGUUNKZQZOEKB-UHFFFAOYSA-N 0 0 322.364 3.017 20 10 DGCDRN Cc1ccc(OCC(=O)NCc2cccc(Cl)c2O)cc1C ZINC001305069852 1111193025 /nfs/dbraw/zinc/19/30/25/1111193025.db2.gz RTYPHOLISLQFIB-UHFFFAOYSA-N 0 0 319.788 3.358 20 10 DGCDRN C/C(=C/c1ccncc1)C(=O)NCc1cccc(Cl)c1O ZINC001305084363 1111193111 /nfs/dbraw/zinc/19/31/11/1111193111.db2.gz IMJWXKNDXQUAJN-LUAWRHEFSA-N 0 0 302.761 3.160 20 10 DGCDRN Oc1c(CNc2ccc(C(F)(F)F)nn2)ccc2cccnc21 ZINC001307146911 1111271681 /nfs/dbraw/zinc/27/16/81/1111271681.db2.gz XJEFBQGUYIALCG-UHFFFAOYSA-N 0 0 320.274 3.361 20 10 DGCDRN O=[N+]([O-])c1c(NCc2cc(Cl)ccc2O)nc2ccccn21 ZINC001307161502 1111273361 /nfs/dbraw/zinc/27/33/61/1111273361.db2.gz WJERQIAYMVWITR-UHFFFAOYSA-N 0 0 318.720 3.214 20 10 DGCDRN CCN(C)c1ccc(CNC2(C(=O)OC)CCCCCC2)cc1 ZINC001307653518 1111323372 /nfs/dbraw/zinc/32/33/72/1111323372.db2.gz GSSLSRLLDMQRDC-UHFFFAOYSA-N 0 0 318.461 3.498 20 10 DGCDRN CCN(CC)c1ccc(CNCc2nn(C)cc2C)cc1F ZINC001308260079 1111407092 /nfs/dbraw/zinc/40/70/92/1111407092.db2.gz HMQCKNODYCOCHI-UHFFFAOYSA-N 0 0 304.413 3.004 20 10 DGCDRN CN(C)c1ccc(/C=C\CNc2cnn(-c3ccccn3)c2)cc1 ZINC001308333619 1111417823 /nfs/dbraw/zinc/41/78/23/1111417823.db2.gz LPNSJMWCRYNRGV-WAYWQWQTSA-N 0 0 319.412 3.459 20 10 DGCDRN Oc1cc(F)c(F)cc1CNc1cccc(-n2ccnc2)c1 ZINC001308635908 1111454227 /nfs/dbraw/zinc/45/42/27/1111454227.db2.gz QFVFMLNECMWXTF-UHFFFAOYSA-N 0 0 301.296 3.468 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1cccc2c1OCC2 ZINC001308666884 1111458465 /nfs/dbraw/zinc/45/84/65/1111458465.db2.gz BJTRLKHUAWVNIE-UHFFFAOYSA-N 0 0 310.397 3.087 20 10 DGCDRN OC[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)CC[C@@H]1C(F)(F)F ZINC001308755146 1111470773 /nfs/dbraw/zinc/47/07/73/1111470773.db2.gz FFFVCTGWRJNUNZ-PWSUYJOCSA-N 0 0 323.742 3.038 20 10 DGCDRN CC(C)(C)OC(=O)N1CCCN1Cc1ccc(Cl)cc1O ZINC001308761905 1111471575 /nfs/dbraw/zinc/47/15/75/1111471575.db2.gz YTDQJXNLCSEDTN-UHFFFAOYSA-N 0 0 312.797 3.403 20 10 DGCDRN Cc1cc(CNC(=O)N[C@H](C)c2ccccc2O)ccc1F ZINC001311474283 1111604063 /nfs/dbraw/zinc/60/40/63/1111604063.db2.gz ODXZSYPWSIPDOP-GFCCVEGCSA-N 0 0 302.349 3.400 20 10 DGCDRN CN1CCCc2cc(CNC(=O)NC(C)(C)/C=C\Cl)ccc21 ZINC001311726707 1111616240 /nfs/dbraw/zinc/61/62/40/1111616240.db2.gz HKFNSLDFOOVAGW-HJWRWDBZSA-N 0 0 321.852 3.399 20 10 DGCDRN CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)N[C@@H](C)c1ccccc1O ZINC001312347038 1111648757 /nfs/dbraw/zinc/64/87/57/1111648757.db2.gz CFTHRYDYTIROAV-VBNZEHGJSA-N 0 0 320.433 3.346 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)c1cccc(O)c1 ZINC001312486313 1111656901 /nfs/dbraw/zinc/65/69/01/1111656901.db2.gz GRTLNBDOIVUHOP-NEPJUHHUSA-N 0 0 300.358 3.219 20 10 DGCDRN CCONC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001312532608 1111659195 /nfs/dbraw/zinc/65/91/95/1111659195.db2.gz LALRDRAMLVHWNV-UHFFFAOYSA-N 0 0 301.390 3.153 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@]1(C)CC=CCC1 ZINC000410533468 529786140 /nfs/dbraw/zinc/78/61/40/529786140.db2.gz JLSPNEBYJHXIAF-SFHVURJKSA-N 0 0 300.402 3.224 20 10 DGCDRN COCCCCC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108294252 185506160 /nfs/dbraw/zinc/50/61/60/185506160.db2.gz FOAGILSWQIMPPX-UHFFFAOYSA-N 0 0 318.461 3.356 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[N@H+](C)C[C@@H]2CCCOC2)c1[O-] ZINC000107064803 432026984 /nfs/dbraw/zinc/02/69/84/432026984.db2.gz URTTYHHUVAMPAG-LBPRGKRZSA-N 0 0 311.809 3.107 20 10 DGCDRN COc1cccc(CNC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1O ZINC000073439966 191316547 /nfs/dbraw/zinc/31/65/47/191316547.db2.gz IPEAMEICJYAWLN-YRGRVCCFSA-N 0 0 306.406 3.025 20 10 DGCDRN COc1cccc(CNC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)c1O ZINC000073439961 191316698 /nfs/dbraw/zinc/31/66/98/191316698.db2.gz IPEAMEICJYAWLN-BZPMIXESSA-N 0 0 306.406 3.025 20 10 DGCDRN CC1(C)CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000073721841 191346884 /nfs/dbraw/zinc/34/68/84/191346884.db2.gz RCWGVLYPNISINU-UHFFFAOYSA-N 0 0 301.434 3.228 20 10 DGCDRN CCO[C@H]1C[C@@H](N(C)C(=O)Cc2ccc(N)cc2)C1(CC)CC ZINC000236966962 202099817 /nfs/dbraw/zinc/09/98/17/202099817.db2.gz NMHLFMAKSYVNIQ-SJORKVTESA-N 0 0 318.461 3.254 20 10 DGCDRN COc1ccc(N2CCN(C(=O)Oc3ccccc3)CC2)cc1 ZINC000006389035 181336607 /nfs/dbraw/zinc/33/66/07/181336607.db2.gz SNUBYUNORWJBFL-UHFFFAOYSA-N 0 0 312.369 3.016 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCS[C@@H](C)C1 ZINC000472289740 244294957 /nfs/dbraw/zinc/29/49/57/244294957.db2.gz CUPZWRNRHFREPK-LBPRGKRZSA-N 0 0 317.458 3.134 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC=C(F)C1 ZINC000472220001 244289905 /nfs/dbraw/zinc/28/99/05/244289905.db2.gz HCQPDJXCENWKEZ-UHFFFAOYSA-N 0 0 301.365 3.255 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(F)c(F)c1[O-] ZINC000187828010 296157849 /nfs/dbraw/zinc/15/78/49/296157849.db2.gz QPBFPMJBRLWMGG-VDODNRGGSA-N 0 0 309.356 3.279 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CCCC12CCOCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000282702933 296161793 /nfs/dbraw/zinc/16/17/93/296161793.db2.gz KZKJKWRMFXFFNF-WBMJQRKESA-N 0 0 320.389 3.300 20 10 DGCDRN Cc1ccc(N(C)C(=O)/C=C\c2ccccc2-n2cccn2)nc1 ZINC000493589016 246018289 /nfs/dbraw/zinc/01/82/89/246018289.db2.gz ARQXHRWEMRYXCP-LUAWRHEFSA-N 0 0 318.380 3.252 20 10 DGCDRN COc1ccc(-n2c(C)cc(C(=O)NCC(C)C)c2C)cc1 ZINC000024713865 182388570 /nfs/dbraw/zinc/38/85/70/182388570.db2.gz QKMJNCQYOOMNOS-UHFFFAOYSA-N 0 0 300.402 3.489 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2ccnc(Cl)c2)cc1 ZINC000025386145 182412686 /nfs/dbraw/zinc/41/26/86/182412686.db2.gz BOGPNUPRIFIXSD-UHFFFAOYSA-N 0 0 303.793 3.073 20 10 DGCDRN O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1cncs1 ZINC000362850439 285210112 /nfs/dbraw/zinc/21/01/12/285210112.db2.gz LEALMVIXINBAKT-WEVVVXLNSA-N 0 0 315.785 3.451 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)c(O)c1O ZINC000272738119 130058307 /nfs/dbraw/zinc/05/83/07/130058307.db2.gz LNTIELOVHPMAKW-CYBMUJFWSA-N 0 0 319.401 3.018 20 10 DGCDRN CO[C@@H](C)CCC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000272916333 130074176 /nfs/dbraw/zinc/07/41/76/130074176.db2.gz PEQFJSDRLHBQKI-ZDUSSCGKSA-N 0 0 324.384 3.150 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCCCS1 ZINC000272933616 130075231 /nfs/dbraw/zinc/07/52/31/130075231.db2.gz KUGMRIFQZNWMGI-INIZCTEOSA-N 0 0 305.443 3.173 20 10 DGCDRN COc1ccc(O)c([C@@H](C)N[C@H](C)c2nnc(C(C)C)[nH]2)c1 ZINC000273343748 130108980 /nfs/dbraw/zinc/10/89/80/130108980.db2.gz AFIGOOHEDGDIKT-GHMZBOCLSA-N 0 0 304.394 3.054 20 10 DGCDRN C[C@H]([NH2+]Cc1cccc(N(C)C)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273370060 130112831 /nfs/dbraw/zinc/11/28/31/130112831.db2.gz CFSYYWZQBTYGJU-LBPRGKRZSA-N 0 0 315.373 3.217 20 10 DGCDRN COc1ccc(OC)c(C[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000273412825 130118684 /nfs/dbraw/zinc/11/86/84/130118684.db2.gz QDWXNNBCTVRHFZ-NSHDSACASA-N 0 0 305.349 3.399 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(Cl)nc2)c1 ZINC000273435603 130120284 /nfs/dbraw/zinc/12/02/84/130120284.db2.gz WVMQXAIFLNPQFK-JTQLQIEISA-N 0 0 320.776 3.078 20 10 DGCDRN COc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])c(OC)c1 ZINC000273441883 130121549 /nfs/dbraw/zinc/12/15/49/130121549.db2.gz YVKZCOOFOYYZIO-LLVKDONJSA-N 0 0 305.349 3.399 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(OC)c2)c1 ZINC000273441353 130121867 /nfs/dbraw/zinc/12/18/67/130121867.db2.gz YPHYATCKQOEUMV-LBPRGKRZSA-N 0 0 315.369 3.038 20 10 DGCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2ccc(SC)cn2)c1 ZINC000273446593 130122437 /nfs/dbraw/zinc/12/24/37/130122437.db2.gz FEHFYCQMFBDXOM-JTQLQIEISA-N 0 0 318.398 3.469 20 10 DGCDRN Cc1ccc([C@@H](C)Nc2ccc(OCC(N)=O)cc2)c(O)c1C ZINC000273484317 130126111 /nfs/dbraw/zinc/12/61/11/130126111.db2.gz MWPJKKRFWMEZQO-CYBMUJFWSA-N 0 0 314.385 3.046 20 10 DGCDRN Cc1ccc([C@@H](C)Nc2ccc3c(c2)n(C)c(=O)n3C)c(O)c1 ZINC000273543004 130135102 /nfs/dbraw/zinc/13/51/02/130135102.db2.gz YUGUICXUJGYOJB-GFCCVEGCSA-N 0 0 311.385 3.064 20 10 DGCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2ccc3c(c2)CCO3)c1 ZINC000273547808 130135554 /nfs/dbraw/zinc/13/55/54/130135554.db2.gz ZQZFEVKSVQXDEQ-NSHDSACASA-N 0 0 313.353 3.287 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@]2(C)CCCS2)c1 ZINC000273610409 130144381 /nfs/dbraw/zinc/14/43/81/130144381.db2.gz VQWDXPTZMNEXCJ-BDJLRTHQSA-N 0 0 309.431 3.115 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@H](CC(C)C)C(=O)[O-])cc1F ZINC000277215350 130591571 /nfs/dbraw/zinc/59/15/71/130591571.db2.gz HNQYNNRUJQIQGX-OAHLLOKOSA-N 0 0 310.413 3.261 20 10 DGCDRN C[C@@H](CCCC(=O)[O-])[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000277380578 130606785 /nfs/dbraw/zinc/60/67/85/130606785.db2.gz QUYQWEAGYCGRMT-HNNXBMFYSA-N 0 0 304.434 3.410 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(C)[nH]c1=O ZINC000282565476 130929810 /nfs/dbraw/zinc/92/98/10/130929810.db2.gz UPSSCZIEOHLKGV-UHFFFAOYSA-N 0 0 314.385 3.244 20 10 DGCDRN COCCN(CCSC(C)C)c1ccc(OC)c(OC)c1 ZINC000283264253 130976295 /nfs/dbraw/zinc/97/62/95/130976295.db2.gz WGXLZWQSPOCXQX-UHFFFAOYSA-N 0 0 313.463 3.298 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCO[C@@H](C)C1 ZINC000283536153 131001099 /nfs/dbraw/zinc/00/10/99/131001099.db2.gz GTGDNVUEUVRHAA-HOCLYGCPSA-N 0 0 320.433 3.271 20 10 DGCDRN Cc1ncccc1CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000285431300 131167898 /nfs/dbraw/zinc/16/78/98/131167898.db2.gz LPJVRYJDZNXBOA-UHFFFAOYSA-N 0 0 323.440 3.190 20 10 DGCDRN CC(=O)c1cc(F)cc(CN[C@@H](C)c2c(F)cncc2F)c1O ZINC000285899233 131208763 /nfs/dbraw/zinc/20/87/63/131208763.db2.gz ZRCNSKVGIFCLGU-QMMMGPOBSA-N 0 0 324.302 3.258 20 10 DGCDRN CC[C@H]([NH2+]CCCOC1CCOCC1)c1ccc(F)cc1[O-] ZINC000286091887 131219579 /nfs/dbraw/zinc/21/95/79/131219579.db2.gz MCDQHIDHZCMUSP-INIZCTEOSA-N 0 0 311.397 3.158 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000286195714 131224045 /nfs/dbraw/zinc/22/40/45/131224045.db2.gz RAUHJRUXKGZQTN-NVXWUHKLSA-N 0 0 303.377 3.176 20 10 DGCDRN CC[C@@H]([NH2+]Cc1ccc(OC)c(O)c1)c1ccc(F)cc1[O-] ZINC000286341810 131231570 /nfs/dbraw/zinc/23/15/70/131231570.db2.gz YHLGYIXMZXOMFR-CQSZACIVSA-N 0 0 305.349 3.486 20 10 DGCDRN CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2ccc(F)cc2[O-])[C@]12CCCO2 ZINC000286352181 131232618 /nfs/dbraw/zinc/23/26/18/131232618.db2.gz ZFZWKTAPKCEASA-DZJNRPSUSA-N 0 0 323.408 3.299 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000286869527 131253624 /nfs/dbraw/zinc/25/36/24/131253624.db2.gz YRSKWIKSGHZKMT-HRCADAONSA-N 0 0 317.429 3.363 20 10 DGCDRN CCNC(=O)[C@@H](C)[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000286887805 131254601 /nfs/dbraw/zinc/25/46/01/131254601.db2.gz ISNOPZHSIWHQAA-PELKAZGASA-N 0 0 319.232 3.264 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCCC1(O)CCC1 ZINC000287717317 131296629 /nfs/dbraw/zinc/29/66/29/131296629.db2.gz DSDNWRNPAHTKLJ-UHFFFAOYSA-N 0 0 320.433 3.009 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCSC1 ZINC000288115456 131313182 /nfs/dbraw/zinc/31/31/82/131313182.db2.gz XUIPEUUVDLRLKG-AWEZNQCLSA-N 0 0 322.474 3.457 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cncs1 ZINC000288606279 131332598 /nfs/dbraw/zinc/33/25/98/131332598.db2.gz QNXVIVDORCKSJG-UHFFFAOYSA-N 0 0 315.442 3.406 20 10 DGCDRN CN(C)c1ccc(CN(Cc2cc[nH]n2)Cc2ccco2)cc1 ZINC000289373793 131379812 /nfs/dbraw/zinc/37/98/12/131379812.db2.gz BCYGQSHLNXRZRJ-UHFFFAOYSA-N 0 0 310.401 3.271 20 10 DGCDRN C[C@H](CCc1ccccc1F)C(=O)NCc1ccc(N)cc1 ZINC000297247557 132005837 /nfs/dbraw/zinc/00/58/37/132005837.db2.gz QJHGUOBDJOTETM-CYBMUJFWSA-N 0 0 300.377 3.293 20 10 DGCDRN COCc1cc(CN2CCCCc3cc(OC)ccc32)no1 ZINC000297301423 132008697 /nfs/dbraw/zinc/00/86/97/132008697.db2.gz BGBXSVWKLLQBLV-UHFFFAOYSA-N 0 0 302.374 3.173 20 10 DGCDRN C[C@@H]1C[C@H]1CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298895670 132082367 /nfs/dbraw/zinc/08/23/67/132082367.db2.gz WMSWETUFWYXVHJ-HIFRSBDPSA-N 0 0 301.434 3.083 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCc3n[nH]cc3C2)cc1 ZINC000299312626 132097814 /nfs/dbraw/zinc/09/78/14/132097814.db2.gz RYYYWQHZEKGJKL-UHFFFAOYSA-N 0 0 320.396 3.016 20 10 DGCDRN CO[C@@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000273363678 285608770 /nfs/dbraw/zinc/60/87/70/285608770.db2.gz DKNZAFLFKAKLSH-PXAZEXFGSA-N 0 0 316.357 3.339 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCCCOCC1CC1 ZINC000066698116 400110080 /nfs/dbraw/zinc/11/00/80/400110080.db2.gz SOEPOTNJSLUXFE-UHFFFAOYSA-N 0 0 320.433 3.131 20 10 DGCDRN Cc1cc(/C=C/C(=O)N2CCC(O)CC2)c(C)n1-c1ccccc1 ZINC000073493924 400452567 /nfs/dbraw/zinc/45/25/67/400452567.db2.gz RQFNMDMSSVVCQC-CMDGGOBGSA-N 0 0 324.424 3.091 20 10 DGCDRN C[C@@H](CC(=O)NCc1ccccc1O)Cc1cccc(F)c1 ZINC000074824537 400539947 /nfs/dbraw/zinc/53/99/47/400539947.db2.gz PSGPIWAQNVOORC-CYBMUJFWSA-N 0 0 301.361 3.416 20 10 DGCDRN C[C@H](CCc1ccco1)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000046072187 400548260 /nfs/dbraw/zinc/54/82/60/400548260.db2.gz NJKLTHIIPQKWEO-CQSZACIVSA-N 0 0 315.417 3.166 20 10 DGCDRN O=[N+]([O-])c1ncccc1N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000603845174 400721641 /nfs/dbraw/zinc/72/16/41/400721641.db2.gz JSFMCMIHJNCJNB-UHFFFAOYSA-N 0 0 321.340 3.160 20 10 DGCDRN COc1ccc(N2CCCN(c3ccc(Cl)cn3)CC2)cc1 ZINC000078653529 400816088 /nfs/dbraw/zinc/81/60/88/400816088.db2.gz JJZCUKVHVVQDSS-UHFFFAOYSA-N 0 0 317.820 3.460 20 10 DGCDRN O=C(CCC1CCCC1)NCc1ccc(N2CCOCC2)cc1 ZINC000054285122 400816405 /nfs/dbraw/zinc/81/64/05/400816405.db2.gz MJIKTPVUJZFXDZ-UHFFFAOYSA-N 0 0 316.445 3.110 20 10 DGCDRN COc1ccc(N2CCN(c3ncccc3Cl)CC2)cc1 ZINC000078256398 400780709 /nfs/dbraw/zinc/78/07/09/400780709.db2.gz OWUFGKWMPGAHRI-UHFFFAOYSA-N 0 0 303.793 3.070 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2cc(C(C)(C)C)n[nH]2)cc1 ZINC000078486423 400803716 /nfs/dbraw/zinc/80/37/16/400803716.db2.gz HOQNKVYRMWFRQN-UHFFFAOYSA-N 0 0 314.433 3.045 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)C[C@H]3C=CCC3)CC2)cc1 ZINC000055877790 400898115 /nfs/dbraw/zinc/89/81/15/400898115.db2.gz FWMKEOUCEOCKQE-INIZCTEOSA-N 0 0 314.429 3.090 20 10 DGCDRN CC(C)CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000057512287 401009849 /nfs/dbraw/zinc/00/98/49/401009849.db2.gz OYNJPPSRQFPUJJ-SFHVURJKSA-N 0 0 318.461 3.306 20 10 DGCDRN CC(C)CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000057512288 401010507 /nfs/dbraw/zinc/01/05/07/401010507.db2.gz OYNJPPSRQFPUJJ-GOSISDBHSA-N 0 0 318.461 3.306 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)N(C)C3CC3)ccc21 ZINC000264193552 401122298 /nfs/dbraw/zinc/12/22/98/401122298.db2.gz QTCOKTRSVJVZIH-UHFFFAOYSA-N 0 0 300.402 3.139 20 10 DGCDRN CC(C)CC(C)(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000084585507 401149346 /nfs/dbraw/zinc/14/93/46/401149346.db2.gz HRCLKDIUSPVZEK-UHFFFAOYSA-N 0 0 318.461 3.212 20 10 DGCDRN C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)C1CCC(F)CC1 ZINC000852633559 620636336 /nfs/dbraw/zinc/63/63/36/620636336.db2.gz SXGNHUZCHLESGW-JEYLPNPQSA-N 0 0 321.440 3.469 20 10 DGCDRN CC[C@@H]([NH2+]C1CCC(C(=O)NC)CC1)c1cccc(Cl)c1[O-] ZINC000287895066 286900429 /nfs/dbraw/zinc/90/04/29/286900429.db2.gz ZGCQWYSWUAYLIJ-KOHJWAIASA-N 0 0 324.852 3.391 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1COc2ccccc2C1)c1ccc(F)c(F)c1[O-] ZINC000187676402 287061896 /nfs/dbraw/zinc/06/18/96/287061896.db2.gz NOYCHGZSLQLJHW-PWSUYJOCSA-N 0 0 305.324 3.325 20 10 DGCDRN Nc1ccc(CCNC(=O)c2ccc(N3CCCCC3)cc2)cc1 ZINC000269145302 432153179 /nfs/dbraw/zinc/15/31/79/432153179.db2.gz CNOFUNYOBLQCOZ-UHFFFAOYSA-N 0 0 323.440 3.232 20 10 DGCDRN O=C(NCc1ccccc1O)NCC1(Cc2ccccc2)CC1 ZINC000269337800 432162662 /nfs/dbraw/zinc/16/26/62/432162662.db2.gz HFXITHZGSKWSOU-UHFFFAOYSA-N 0 0 310.397 3.214 20 10 DGCDRN C/C=C(\CC)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000190537942 432167752 /nfs/dbraw/zinc/16/77/52/432167752.db2.gz RVXSQVPBGOSNNZ-SYZQJQIISA-N 0 0 302.418 3.090 20 10 DGCDRN CC1CCN(c2ccc(CNc3ncc(F)cn3)cc2)CC1 ZINC000269502840 432179991 /nfs/dbraw/zinc/17/99/91/432179991.db2.gz QNFVQAMHGJNXLN-UHFFFAOYSA-N 0 0 300.381 3.464 20 10 DGCDRN CCn1c(C)nnc1CN(c1ccc(OC)cc1)[C@@H](C)C1CC1 ZINC000171937958 432183946 /nfs/dbraw/zinc/18/39/46/432183946.db2.gz KKALVKITCZLVBT-ZDUSSCGKSA-N 0 0 314.433 3.420 20 10 DGCDRN CN(C(=O)NCc1ccc(N2CCCC2)cc1)C1CCCC1 ZINC000172310223 432207510 /nfs/dbraw/zinc/20/75/10/432207510.db2.gz LBMYKJVNPVBAOG-UHFFFAOYSA-N 0 0 301.434 3.371 20 10 DGCDRN C[C@@H]1CCN(C(=O)/C=C\c2cncs2)c2c(O)cccc21 ZINC000493633196 287508571 /nfs/dbraw/zinc/50/85/71/287508571.db2.gz WUGONQKMYOEDRX-ISALQUGTSA-N 0 0 300.383 3.402 20 10 DGCDRN C[C@H](Nc1cccc(N2CCNC2=O)c1)c1ccc(N(C)C)cc1 ZINC000271924614 228682015 /nfs/dbraw/zinc/68/20/15/228682015.db2.gz FYRLNIQKCPESTR-AWEZNQCLSA-N 0 0 324.428 3.455 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CC3(C)C)ccc21 ZINC000343388781 229124964 /nfs/dbraw/zinc/12/49/64/229124964.db2.gz LWPFSKQFMTYBJC-KRWDZBQOSA-N 0 0 314.429 3.433 20 10 DGCDRN CCn1nccc1NC(=O)NCc1c(C)c2ccccc2n1C ZINC000346924229 229178198 /nfs/dbraw/zinc/17/81/98/229178198.db2.gz YBZDSNODEWAVPB-UHFFFAOYSA-N 0 0 311.389 3.025 20 10 DGCDRN COc1ncccc1NC(=O)NCc1c(C)c2ccccc2n1C ZINC000348544417 229202242 /nfs/dbraw/zinc/20/22/42/229202242.db2.gz PICOZITXMFJIIP-UHFFFAOYSA-N 0 0 324.384 3.212 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)COC1CCCC1 ZINC000348633660 229205071 /nfs/dbraw/zinc/20/50/71/229205071.db2.gz FLOAKHZRLRQSRS-UHFFFAOYSA-N 0 0 300.402 3.062 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCC1(C2CC2)CC1 ZINC000349791805 229216817 /nfs/dbraw/zinc/21/68/17/229216817.db2.gz PYGFSFTZOGJBBI-UHFFFAOYSA-N 0 0 311.429 3.476 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cccc2n[nH]cc21 ZINC000352111852 229243632 /nfs/dbraw/zinc/24/36/32/229243632.db2.gz NTIXPUTZIRULBZ-UHFFFAOYSA-N 0 0 318.380 3.293 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)NC3CC(C)C3)ccc21 ZINC000352295467 229250318 /nfs/dbraw/zinc/25/03/18/229250318.db2.gz RGKJWMVXTNLLHN-UHFFFAOYSA-N 0 0 314.429 3.433 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CS[C@@H](C)C1 ZINC000413508511 230247044 /nfs/dbraw/zinc/24/70/44/230247044.db2.gz URFUQHKUBASSGL-AAEUAGOBSA-N 0 0 317.458 3.180 20 10 DGCDRN C[C@@](O)(C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C(F)(F)F ZINC000270478140 432249853 /nfs/dbraw/zinc/24/98/53/432249853.db2.gz IXLABJLYTCXTNO-SNVBAGLBSA-N 0 0 318.122 3.102 20 10 DGCDRN CC1(C)CN(C(=O)/C=C/c2cnccn2)c2ccccc2S1 ZINC000492073696 276119839 /nfs/dbraw/zinc/11/98/39/276119839.db2.gz OXGWWZRDISZHEZ-BQYQJAHWSA-N 0 0 311.410 3.407 20 10 DGCDRN CO[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2cnc(C)s2)C1 ZINC000283295294 277692621 /nfs/dbraw/zinc/69/26/21/277692621.db2.gz MXSSERYZFXRROQ-HSBSLETESA-N 0 0 314.410 3.069 20 10 DGCDRN COc1cccc2c1N(C(=O)/C=C/c1cncs1)CCC2 ZINC000281518124 278037629 /nfs/dbraw/zinc/03/76/29/278037629.db2.gz UGIKAAVDIUBIEF-BQYQJAHWSA-N 0 0 300.383 3.144 20 10 DGCDRN CC[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1cccc(Cl)c1[O-] ZINC000287547473 288037029 /nfs/dbraw/zinc/03/70/29/288037029.db2.gz FKOBMFFPLPJFNM-ZDUSSCGKSA-N 0 0 310.825 3.132 20 10 DGCDRN CC[C@H]([NH2+]CC(=O)NC(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000287700178 288035701 /nfs/dbraw/zinc/03/57/01/288035701.db2.gz NOSBDRWKQSRQGJ-LBPRGKRZSA-N 0 0 319.232 3.264 20 10 DGCDRN CC[C@H]([NH2+][C@H]1CCN(C(C)C)C1=O)c1cccc(Cl)c1[O-] ZINC000287314420 288090010 /nfs/dbraw/zinc/09/00/10/288090010.db2.gz DAZQVOGYGKCYFH-KBPBESRZSA-N 0 0 310.825 3.096 20 10 DGCDRN CCOCc1cc(C=C2SC(=S)NC2=O)ccc1OC ZINC000002536779 431255974 /nfs/dbraw/zinc/25/59/74/431255974.db2.gz KWJNESKQBNSWIY-KPKJPENVSA-N 0 0 309.412 3.132 20 10 DGCDRN COCCC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000072089230 431333233 /nfs/dbraw/zinc/33/32/33/431333233.db2.gz MDWCJUVWQQJFFG-UHFFFAOYSA-N 0 0 304.434 3.108 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000113418796 431347657 /nfs/dbraw/zinc/34/76/57/431347657.db2.gz RDPNOCRWRLVFNI-CABCVRRESA-N 0 0 317.335 3.433 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000113418799 431350016 /nfs/dbraw/zinc/35/00/16/431350016.db2.gz RDPNOCRWRLVFNI-LSDHHAIUSA-N 0 0 317.335 3.433 20 10 DGCDRN CC(C)(C)CCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000078080730 431640430 /nfs/dbraw/zinc/64/04/30/431640430.db2.gz VUOYIKVWKKKNKY-UHFFFAOYSA-N 0 0 322.424 3.105 20 10 DGCDRN CC[C@@H]1c2ccsc2CCN1C(=O)Cc1ccc(N)cc1 ZINC000037811733 280618398 /nfs/dbraw/zinc/61/83/98/280618398.db2.gz FGILSBPWHMFOLR-OAHLLOKOSA-N 0 0 300.427 3.409 20 10 DGCDRN COc1ccc(N(C)CCn2c(C)csc2=O)cc1Cl ZINC000121852263 431806120 /nfs/dbraw/zinc/80/61/20/431806120.db2.gz XPOLFRAUECWHJL-UHFFFAOYSA-N 0 0 312.822 3.017 20 10 DGCDRN COc1ccc(N2CCN([C@@H](C)c3ccccn3)CC2)cc1F ZINC000122097329 431812837 /nfs/dbraw/zinc/81/28/37/431812837.db2.gz COGABNPFCYOCKC-AWEZNQCLSA-N 0 0 315.392 3.113 20 10 DGCDRN CCOc1cc(NCc2cccc(OC)c2O)ccc1OC ZINC000122385792 431831713 /nfs/dbraw/zinc/83/17/13/431831713.db2.gz XHBXZBCZWAMKPP-UHFFFAOYSA-N 0 0 303.358 3.420 20 10 DGCDRN Cc1noc(C)c1[C@H](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000125245416 431918033 /nfs/dbraw/zinc/91/80/33/431918033.db2.gz GMCKZVIEWNARFS-GFCCVEGCSA-N 0 0 315.417 3.167 20 10 DGCDRN COc1ccc(CCC(=O)N(C)Cc2ccccc2O)cc1F ZINC000053915134 431965557 /nfs/dbraw/zinc/96/55/57/431965557.db2.gz KBGUNKKNQPYVPG-UHFFFAOYSA-N 0 0 317.360 3.131 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC(=O)C[C@@H]1C ZINC000270658273 432270706 /nfs/dbraw/zinc/27/07/06/432270706.db2.gz SJUUBVDHHHMRBY-KSSFIOAISA-N 0 0 316.445 3.106 20 10 DGCDRN CCN(Cc1ccncc1)Cc1cc(F)cc(C(C)=O)c1O ZINC000271051862 432322381 /nfs/dbraw/zinc/32/23/81/432322381.db2.gz XQSVYCNCGGNWSS-UHFFFAOYSA-N 0 0 302.349 3.151 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C[C@H]1n1ccnc1 ZINC000248892526 432326827 /nfs/dbraw/zinc/32/68/27/432326827.db2.gz SJPKRNAHUGEQES-BXUZGUMPSA-N 0 0 323.799 3.464 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccncc2C(F)(F)F)cc1 ZINC000192134628 432334984 /nfs/dbraw/zinc/33/49/84/432334984.db2.gz OSJPEYBYDGFRCZ-UHFFFAOYSA-N 0 0 323.318 3.096 20 10 DGCDRN CO[C@@](C)(C(=O)N(C)Cc1ccccc1O)c1ccccc1F ZINC000192166324 432338276 /nfs/dbraw/zinc/33/82/76/432338276.db2.gz UKKOKXAKTXCWMU-GOSISDBHSA-N 0 0 317.360 3.052 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NC[C@@]2(C)CCCS2)cc1 ZINC000153258996 432395937 /nfs/dbraw/zinc/39/59/37/432395937.db2.gz OZPRHWUZGXIZHQ-QGZVFWFLSA-N 0 0 321.490 3.180 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC000250738686 432367588 /nfs/dbraw/zinc/36/75/88/432367588.db2.gz IXNNXTVDEDUUDP-ZDUSSCGKSA-N 0 0 315.244 3.369 20 10 DGCDRN C[C@H](NCc1nnc2n1CCCCC2)c1cc(Cl)ccc1O ZINC000184877586 432441583 /nfs/dbraw/zinc/44/15/83/432441583.db2.gz XZVZJPXSDJLOFQ-NSHDSACASA-N 0 0 320.824 3.214 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000175507396 432443551 /nfs/dbraw/zinc/44/35/51/432443551.db2.gz APTAPWISFQDQSR-FXAWDEMLSA-N 0 0 307.393 3.255 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC1Cc2ccccc2C1 ZINC000184947180 432448224 /nfs/dbraw/zinc/44/82/24/432448224.db2.gz RHKNCJWBUAKCQH-UHFFFAOYSA-N 0 0 324.424 3.481 20 10 DGCDRN O=C(c1cccnc1NCc1ccccc1O)N1CCCCC1 ZINC000271569667 432421041 /nfs/dbraw/zinc/42/10/41/432421041.db2.gz BNMHXZJCPPBEHJ-UHFFFAOYSA-N 0 0 311.385 3.025 20 10 DGCDRN C[C@H](N[C@H](CO)c1c(F)cccc1F)c1ccc(N(C)C)cc1 ZINC000271545072 432421243 /nfs/dbraw/zinc/42/12/43/432421243.db2.gz ZAFUPCLDCVDECW-YVEFUNNKSA-N 0 0 320.383 3.415 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@H+](CCCO)Cc1ccccc1 ZINC000271728743 432422947 /nfs/dbraw/zinc/42/29/47/432422947.db2.gz MKQWZALHYUADKO-UHFFFAOYSA-N 0 0 305.805 3.430 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1ccc(F)cc1[O-] ZINC000186136294 432562479 /nfs/dbraw/zinc/56/24/79/432562479.db2.gz WUJKBQBVWXWIRB-DETPVDSQSA-N 0 0 311.422 3.237 20 10 DGCDRN COc1ccc([C@@H](CCO)[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000185825997 432536567 /nfs/dbraw/zinc/53/65/67/432536567.db2.gz UEUOLYVCIRWIAQ-SJKOYZFVSA-N 0 0 319.376 3.314 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CCSC1)c1cc(Br)ccc1O ZINC000273519039 432606487 /nfs/dbraw/zinc/60/64/87/432606487.db2.gz SYZUOHXQHNSUMS-SCZZXKLOSA-N 0 0 302.237 3.311 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCSC1)c1cc(Br)ccc1O ZINC000273519043 432606708 /nfs/dbraw/zinc/60/67/08/432606708.db2.gz SYZUOHXQHNSUMS-WCBMZHEXSA-N 0 0 302.237 3.311 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCC(C)(C)C1 ZINC000186397505 432590522 /nfs/dbraw/zinc/59/05/22/432590522.db2.gz JHWDZMLUXBQINM-JSGCOSHPSA-N 0 0 305.418 3.361 20 10 DGCDRN C[C@H](N[C@@H](CO)c1c(F)cccc1F)c1cc(F)ccc1O ZINC000273465860 432602236 /nfs/dbraw/zinc/60/22/36/432602236.db2.gz IUJOVISOBYFWLL-XPTSAGLGSA-N 0 0 311.303 3.194 20 10 DGCDRN Cn1c(-c2ccccc2)cnc1SCC[C@@H]1CCOC1=O ZINC000177567050 432638201 /nfs/dbraw/zinc/63/82/01/432638201.db2.gz IZZJIVVJVWTUGB-ZDUSSCGKSA-N 0 0 302.399 3.132 20 10 DGCDRN Cc1ncc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000264585178 432661046 /nfs/dbraw/zinc/66/10/46/432661046.db2.gz DTTIDWNSFKMESH-HNNXBMFYSA-N 0 0 318.442 3.338 20 10 DGCDRN O=C(COc1ccc(N2CCCC2)cc1)Nc1cccc(F)c1 ZINC000178192038 432705837 /nfs/dbraw/zinc/70/58/37/432705837.db2.gz XRQDIPORAGSUBN-UHFFFAOYSA-N 0 0 314.360 3.443 20 10 DGCDRN COc1ccc(N2CCN(c3ccnc(Cl)c3)CC2)cc1 ZINC000229715563 432722257 /nfs/dbraw/zinc/72/22/57/432722257.db2.gz OFPIXXCREOFSCJ-UHFFFAOYSA-N 0 0 303.793 3.070 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccc(F)c(F)c1[O-] ZINC000187668284 432676013 /nfs/dbraw/zinc/67/60/13/432676013.db2.gz SLWAMUIRHJUYQT-OTYXRUKQSA-N 0 0 311.303 3.194 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)[C@H]2CCOC2)cc1 ZINC000266039737 432751015 /nfs/dbraw/zinc/75/10/15/432751015.db2.gz FWSJTUWDOJIVKJ-RDJZCZTQSA-N 0 0 312.413 3.249 20 10 DGCDRN Cc1cc(NC(=O)Cc2ccc(N)cc2)ccc1N1CCCC1 ZINC000178672583 432765153 /nfs/dbraw/zinc/76/51/53/432765153.db2.gz MTDBBAQMNJSKGA-UHFFFAOYSA-N 0 0 309.413 3.359 20 10 DGCDRN CC(C)c1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])[nH]1 ZINC000276851334 432827188 /nfs/dbraw/zinc/82/71/88/432827188.db2.gz BCRCNFGYIYTVNG-IUCAKERBSA-N 0 0 310.348 3.324 20 10 DGCDRN C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000277003704 432827672 /nfs/dbraw/zinc/82/76/72/432827672.db2.gz ZRLQQMIEFBPYIM-SFYZADRCSA-N 0 0 313.266 3.288 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000276904125 432827943 /nfs/dbraw/zinc/82/79/43/432827943.db2.gz JMNAULHAZZTKPP-TZMCWYRMSA-N 0 0 321.367 3.315 20 10 DGCDRN CCN(C[C@H]1CC2(CCC2)C(=O)O1)c1ccc(OC)c(OC)c1 ZINC000277010911 432828992 /nfs/dbraw/zinc/82/89/92/432828992.db2.gz POVFGYBIPSKQPA-CQSZACIVSA-N 0 0 319.401 3.016 20 10 DGCDRN CCCC[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000277299714 432835194 /nfs/dbraw/zinc/83/51/94/432835194.db2.gz MWUJVBGLCSTTEB-KRWDZBQOSA-N 0 0 304.434 3.410 20 10 DGCDRN CCc1ncsc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178898582 432786934 /nfs/dbraw/zinc/78/69/34/432786934.db2.gz NDVRSMOGLZATFW-UHFFFAOYSA-N 0 0 315.442 3.236 20 10 DGCDRN C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)CC[C@H]1c1ccccc1 ZINC000237438955 432786894 /nfs/dbraw/zinc/78/68/94/432786894.db2.gz DAAXGGGORCDQOE-DNVCBOLYSA-N 0 0 308.425 3.464 20 10 DGCDRN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)Cc1ccc(N)cc1 ZINC000237591379 432791915 /nfs/dbraw/zinc/79/19/15/432791915.db2.gz RXJKIEKWZOCWRU-UHFFFAOYSA-N 0 0 323.396 3.107 20 10 DGCDRN Cc1ccccc1[C@H]1CN(C(=O)Cc2ccc(N)cc2)[C@@H](C)CO1 ZINC000237701662 432797609 /nfs/dbraw/zinc/79/76/09/432797609.db2.gz VFANOJLCGLOJAE-HNAYVOBHSA-N 0 0 324.424 3.108 20 10 DGCDRN CC1(C(=O)NCc2cccc(Br)c2O)CCCC1 ZINC000277635733 432865981 /nfs/dbraw/zinc/86/59/81/432865981.db2.gz XNXAVVLJFNBULJ-UHFFFAOYSA-N 0 0 312.207 3.351 20 10 DGCDRN COc1cccc(N2CC[C@H]([NH2+][C@H]3CCc4cccc(O)c43)C2)c1 ZINC000296225479 432885250 /nfs/dbraw/zinc/88/52/50/432885250.db2.gz AHJOOFWKVUMHTQ-YJBOKZPZSA-N 0 0 324.424 3.257 20 10 DGCDRN CC(C)C[C@@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277394725 432845358 /nfs/dbraw/zinc/84/53/58/432845358.db2.gz NSZKUZLAEOBAMF-LLVKDONJSA-N 0 0 324.808 3.244 20 10 DGCDRN C[C@H](CCC[NH2+]Cc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000277456809 432851655 /nfs/dbraw/zinc/85/16/55/432851655.db2.gz VIACLDZXUMBXRK-OAHLLOKOSA-N 0 0 304.434 3.267 20 10 DGCDRN CC[C@H]1CC[C@@H](C(=O)N(CC)Cc2ccc(N(C)C)cc2)O1 ZINC000268233841 432857346 /nfs/dbraw/zinc/85/73/46/432857346.db2.gz YQPRLTSTIUNAPQ-IRXDYDNUSA-N 0 0 304.434 3.059 20 10 DGCDRN C[C@H](NCc1ncc(C(F)(F)F)cn1)c1ccc(F)cc1O ZINC000296617253 432924249 /nfs/dbraw/zinc/92/42/49/432924249.db2.gz WQNXWJONJBMBLC-QMMMGPOBSA-N 0 0 315.270 3.191 20 10 DGCDRN COc1ccc(N[C@H]2CCc3cccc(O)c32)cc1NC(C)=O ZINC000296638808 432924432 /nfs/dbraw/zinc/92/44/32/432924432.db2.gz CRYNOZGVJPCUMS-AWEZNQCLSA-N 0 0 312.369 3.459 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@H](C)CCc2ccco2)ccc1[N+](=O)[O-] ZINC000278912452 432917009 /nfs/dbraw/zinc/91/70/09/432917009.db2.gz SQSBQJTYDXKLNS-LLVKDONJSA-N 0 0 320.345 3.013 20 10 DGCDRN COc1cc(O)c(CNc2ccc(F)c([C@H](C)O)c2)cc1OC ZINC000289725850 432973641 /nfs/dbraw/zinc/97/36/41/432973641.db2.gz PMWPSLSVYXOPGB-JTQLQIEISA-N 0 0 321.348 3.214 20 10 DGCDRN CCCN(CCC)c1ccc(CN[C@]2(C)CCOC2=O)cc1 ZINC000289828346 432974303 /nfs/dbraw/zinc/97/43/03/432974303.db2.gz OCNVLZLWRLMLQR-GOSISDBHSA-N 0 0 304.434 3.108 20 10 DGCDRN CCOCc1nc([C@H](C)N[C@H](CC)c2ccc(F)cc2O)no1 ZINC000290034567 432983299 /nfs/dbraw/zinc/98/32/99/432983299.db2.gz DCQVDKYKMDZPJG-GXFFZTMASA-N 0 0 323.368 3.253 20 10 DGCDRN CCOCc1nc([C@H](C)N[C@H](C)c2cc(C)ccc2O)no1 ZINC000290113699 432993881 /nfs/dbraw/zinc/99/38/81/432993881.db2.gz IWZZQKZJWYZALU-NEPJUHHUSA-N 0 0 305.378 3.032 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C[C@H]2CCC(=O)[C@H]2C)cc1 ZINC000280037489 433000583 /nfs/dbraw/zinc/00/05/83/433000583.db2.gz WKPSXTBOQSDYBB-GOEBONIOSA-N 0 0 316.445 3.154 20 10 DGCDRN CC(C)(C)c1ncc(C=CC(=O)N2CCCc3n[nH]cc32)s1 ZINC000280144921 433005057 /nfs/dbraw/zinc/00/50/57/433005057.db2.gz QKHYBOMPIMZZET-VOTSOKGWSA-N 0 0 316.430 3.156 20 10 DGCDRN Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2cccc(O)c2O)C1 ZINC000185697298 292705443 /nfs/dbraw/zinc/70/54/43/292705443.db2.gz NEWDXYJUZQZZTK-KBPBESRZSA-N 0 0 311.381 3.424 20 10 DGCDRN C[N@H+](CCCn1ccnc1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000290323534 433032841 /nfs/dbraw/zinc/03/28/41/433032841.db2.gz DEDBKIDPZNRWPA-UHFFFAOYSA-N 0 0 314.216 3.418 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(F)c1F ZINC000173199884 289412542 /nfs/dbraw/zinc/41/25/42/289412542.db2.gz XHRGLAKWQVLBSH-UHFFFAOYSA-N 0 0 318.323 3.070 20 10 DGCDRN FC(F)Oc1ccc(N2CCC(Nc3ncccn3)CC2)cc1 ZINC000373982975 433172873 /nfs/dbraw/zinc/17/28/73/433172873.db2.gz PABISQHRCODHJV-UHFFFAOYSA-N 0 0 320.343 3.159 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000281147031 433266046 /nfs/dbraw/zinc/26/60/46/433266046.db2.gz ORYAGSFWMGDQNP-VHSXEESVSA-N 0 0 300.305 3.386 20 10 DGCDRN O=C(NC1CC1)[C@@H](Sc1nccs1)c1ccc(F)cc1 ZINC000299069374 433312378 /nfs/dbraw/zinc/31/23/78/433312378.db2.gz XEQBKZFFMMTYFH-LBPRGKRZSA-N 0 0 308.403 3.394 20 10 DGCDRN CCc1nc(C)c(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000291822818 433366978 /nfs/dbraw/zinc/36/69/78/433366978.db2.gz DOFLGFLTIYNITR-VIFPVBQESA-N 0 0 305.334 3.010 20 10 DGCDRN COc1ccc(N2CCN(Cc3ccnc(Cl)c3)CC2)cc1 ZINC000299645948 433374647 /nfs/dbraw/zinc/37/46/47/433374647.db2.gz RDCWLOJHINFRAH-UHFFFAOYSA-N 0 0 317.820 3.066 20 10 DGCDRN C[C@H]1Oc2ccccc2[C@@H]1NC(=O)N(C)Cc1ccccc1O ZINC000291761974 433340810 /nfs/dbraw/zinc/34/08/10/433340810.db2.gz HXRCEOVENGLILY-SJKOYZFVSA-N 0 0 312.369 3.056 20 10 DGCDRN CCN(C)c1ccc([C@@H](C)NCc2ncnn2C(C)(C)C)cc1 ZINC000281939557 433438579 /nfs/dbraw/zinc/43/85/79/433438579.db2.gz BKCLCAXVHYKHDA-CQSZACIVSA-N 0 0 315.465 3.340 20 10 DGCDRN COc1ccc(N2CCC(Nc3cncc(Cl)n3)CC2)cc1 ZINC000301195763 433448333 /nfs/dbraw/zinc/44/83/33/433448333.db2.gz UFNCEWYSIYPGRT-UHFFFAOYSA-N 0 0 318.808 3.220 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccoc2C2CC2)cc1F ZINC000282009365 433463096 /nfs/dbraw/zinc/46/30/96/433463096.db2.gz XTJCDWSDNFOOKR-UHFFFAOYSA-N 0 0 302.349 3.292 20 10 DGCDRN CCOc1cccc(S(=O)(=O)Nc2ccc(O)cc2CC)c1 ZINC000282116112 433499082 /nfs/dbraw/zinc/49/90/82/433499082.db2.gz KDPNTPYOJQLKDS-UHFFFAOYSA-N 0 0 321.398 3.154 20 10 DGCDRN Cc1ccnc(NCc2c(O)ccc3c2CCCC3)c1[N+](=O)[O-] ZINC000301472695 433567463 /nfs/dbraw/zinc/56/74/63/433567463.db2.gz UPGQQUCXKPCRIL-UHFFFAOYSA-N 0 0 313.357 3.495 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cnc2n1CCCC2)c1ccc(F)cc1[O-] ZINC000375800454 433572039 /nfs/dbraw/zinc/57/20/39/433572039.db2.gz AQWCZNDXIJJFSY-OAHLLOKOSA-N 0 0 303.381 3.305 20 10 DGCDRN CCCc1nsc(NCc2ccc(N3CC=CC3)cc2)n1 ZINC000292562950 433578979 /nfs/dbraw/zinc/57/89/79/433578979.db2.gz JSJHMRHEQOFCNK-UHFFFAOYSA-N 0 0 300.431 3.479 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Cc1ccncc1C ZINC000282388241 433589294 /nfs/dbraw/zinc/58/92/94/433589294.db2.gz DGDDQNPIABGLIV-UHFFFAOYSA-N 0 0 312.413 3.467 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Cc1ccc(O)cc1 ZINC000282498486 433612947 /nfs/dbraw/zinc/61/29/47/433612947.db2.gz NEQKROYLVSZAJL-UHFFFAOYSA-N 0 0 313.397 3.469 20 10 DGCDRN CC[C@H](NCc1ncnn1C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000282490287 433616181 /nfs/dbraw/zinc/61/61/81/433616181.db2.gz HRYLVTZCTHIYJK-INIZCTEOSA-N 0 0 315.465 3.340 20 10 DGCDRN CCc1nc([C@H]2CCCCN2Cc2cc(F)ccc2O)no1 ZINC000376167896 433683346 /nfs/dbraw/zinc/68/33/46/433683346.db2.gz UMIFWNZQQIYUDE-CYBMUJFWSA-N 0 0 305.353 3.204 20 10 DGCDRN COc1ccc(O)c(CNc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000301801388 433732993 /nfs/dbraw/zinc/73/29/93/433732993.db2.gz UBAGIZYKVIDIQG-UHFFFAOYSA-N 0 0 310.256 3.199 20 10 DGCDRN CCN(CC)c1ccc(CNC(C)(C)c2nc(C)no2)cc1F ZINC000283887216 433794194 /nfs/dbraw/zinc/79/41/94/433794194.db2.gz HIIPFFWBIVRCDM-UHFFFAOYSA-N 0 0 320.412 3.388 20 10 DGCDRN CN(Cc1ccccc1O)c1nnc(Cc2ccccc2)s1 ZINC000302616197 433827405 /nfs/dbraw/zinc/82/74/05/433827405.db2.gz FZARQTMLSWGFJB-UHFFFAOYSA-N 0 0 311.410 3.471 20 10 DGCDRN CCc1cnc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])s1 ZINC000293688089 433828621 /nfs/dbraw/zinc/82/86/21/433828621.db2.gz SAHISIQFMDSVDQ-UHFFFAOYSA-N 0 0 300.786 3.493 20 10 DGCDRN C[C@H](Nc1ncncc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000302616240 433829190 /nfs/dbraw/zinc/82/91/90/433829190.db2.gz FZTBUYSBMHVHIQ-LBPRGKRZSA-N 0 0 318.808 3.140 20 10 DGCDRN Oc1cccc(Cl)c1C[N@@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000293722735 433843383 /nfs/dbraw/zinc/84/33/83/433843383.db2.gz UDTAKBKJPGIBEB-INIZCTEOSA-N 0 0 307.821 3.437 20 10 DGCDRN C[C@]1(CCCO)CCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000293958921 433940978 /nfs/dbraw/zinc/94/09/78/433940978.db2.gz PRRHVMRGKBOQIT-OAHLLOKOSA-N 0 0 301.789 3.312 20 10 DGCDRN CC[C@@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ccc(F)cc1[O-] ZINC000285621299 434016200 /nfs/dbraw/zinc/01/62/00/434016200.db2.gz KUEZEOCINIEOPP-OAHLLOKOSA-N 0 0 303.381 3.233 20 10 DGCDRN CCOc1cccc(CN2CC(C)(C)[C@H]2c2nccn2C)c1O ZINC000294785788 434147154 /nfs/dbraw/zinc/14/71/54/434147154.db2.gz LPEROBJNFWACKN-MRXNPFEDSA-N 0 0 315.417 3.108 20 10 DGCDRN CCOc1ccc(O)c(CN2CCOC[C@H]2c2ccccc2)c1 ZINC000378344318 434147941 /nfs/dbraw/zinc/14/79/41/434147941.db2.gz ZPLBVHKCNHQCNV-SFHVURJKSA-N 0 0 313.397 3.364 20 10 DGCDRN COc1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000363859963 434169092 /nfs/dbraw/zinc/16/90/92/434169092.db2.gz SVYLAVFDNZMQOT-BHADISHBSA-N 0 0 305.418 3.255 20 10 DGCDRN Cc1cnn([C@H]2CC[N@H+](Cc3c([O-])ccc(Cl)c3F)C2)c1 ZINC000365623125 434304846 /nfs/dbraw/zinc/30/48/46/434304846.db2.gz PSVBGVWCNWDFGR-NSHDSACASA-N 0 0 309.772 3.137 20 10 DGCDRN CC[C@@H]([NH2+]CCCNC(C)=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000287897941 434474285 /nfs/dbraw/zinc/47/42/85/434474285.db2.gz ZKNSJXDCDKCGKU-CYBMUJFWSA-N 0 0 319.232 3.266 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCCCC1(F)F ZINC000296021737 434480237 /nfs/dbraw/zinc/48/02/37/434480237.db2.gz LDNANFMXGIHGBS-PZBABLGHSA-N 0 0 311.328 3.053 20 10 DGCDRN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cccc(O)c1O)CC3 ZINC000369628878 434599911 /nfs/dbraw/zinc/59/99/11/434599911.db2.gz HBZSZZMNNLKGMV-UHFFFAOYSA-N 0 0 322.364 3.086 20 10 DGCDRN Cc1nc([C@H]2CCCCN2Cc2cc(C)c(C)cc2O)no1 ZINC000372840074 434858140 /nfs/dbraw/zinc/85/81/40/434858140.db2.gz UGRPQSVWBVBOHN-OAHLLOKOSA-N 0 0 301.390 3.428 20 10 DGCDRN CC[C@@H]([NH2+][C@@H]1Cc2ccccc2NC1=O)c1ccc(F)cc1[O-] ZINC000527997620 435018526 /nfs/dbraw/zinc/01/85/26/435018526.db2.gz JBWYABWKRBQIJK-GDBMZVCRSA-N 0 0 314.360 3.135 20 10 DGCDRN CCN(C(=O)/C=C\c1cnc2ccccc2n1)c1ncccc1C ZINC000492640534 435029091 /nfs/dbraw/zinc/02/90/91/435029091.db2.gz MMHUMGBGTPSVGH-KHPPLWFESA-N 0 0 318.380 3.400 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C\c2ccc(C)nc2)c(OC)c1 ZINC000492476608 434991833 /nfs/dbraw/zinc/99/18/33/434991833.db2.gz SPTQHDCDHKRGTN-YFHOEESVSA-N 0 0 312.369 3.083 20 10 DGCDRN Cc1ccc(/C=C\C(=O)N(C[C@@H]2CCCO2)c2ccncc2)cn1 ZINC000492551630 435010659 /nfs/dbraw/zinc/01/06/59/435010659.db2.gz ULXXKDPSEVRYIQ-MJRGOJFPSA-N 0 0 323.396 3.010 20 10 DGCDRN COc1ccc(CNC(=O)CC2(c3ccccc3)CC2)c(O)c1 ZINC000529227776 435034974 /nfs/dbraw/zinc/03/49/74/435034974.db2.gz KKQJEOGLVMCIKV-UHFFFAOYSA-N 0 0 311.381 3.139 20 10 DGCDRN COCCC1CC[NH+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000529638670 435038693 /nfs/dbraw/zinc/03/86/93/435038693.db2.gz UWJXCXIPLJUNET-UHFFFAOYSA-N 0 0 301.789 3.433 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNc1c(C)c(C)nc2ncnn21 ZINC000530429194 435044453 /nfs/dbraw/zinc/04/44/53/435044453.db2.gz IBPYPGVRPOMBAZ-UHFFFAOYSA-N 0 0 320.400 3.153 20 10 DGCDRN CCCCn1nccc1NC(=O)c1ccc(C2=S=CC=C2)o1 ZINC000541188274 435641984 /nfs/dbraw/zinc/64/19/84/435641984.db2.gz OFRWBRDTHAYGJP-UHFFFAOYSA-N 0 0 315.398 3.154 20 10 DGCDRN O=C(/C=C/c1cnccn1)N(Cc1ccccc1)c1ccccn1 ZINC000491186972 435712278 /nfs/dbraw/zinc/71/22/78/435712278.db2.gz QPQZVNFDVGHHOT-MDZDMXLPSA-N 0 0 316.364 3.118 20 10 DGCDRN COc1cc(Cl)cc(CN[C@@H](C)c2ncccc2F)c1O ZINC000529688084 313254550 /nfs/dbraw/zinc/25/45/50/313254550.db2.gz HUXZWUWNQJQSAH-VIFPVBQESA-N 0 0 310.756 3.439 20 10 DGCDRN Cc1ncc(/C=C\C(=O)N(C)c2ccccc2N(C)C)s1 ZINC000255685179 331788523 /nfs/dbraw/zinc/78/85/23/331788523.db2.gz ZGNMAWJWKZLVQN-KTKRTIGZSA-N 0 0 301.415 3.194 20 10 DGCDRN Cc1ccccc1[C@H](O)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293670242 335114894 /nfs/dbraw/zinc/11/48/94/335114894.db2.gz QNLRDQCKHNFWSN-MRXNPFEDSA-N 0 0 309.768 3.316 20 10 DGCDRN CC(C)Oc1cc(O)ccc1NS(=O)(=O)C1=CCCCC1 ZINC000295197878 335130638 /nfs/dbraw/zinc/13/06/38/335130638.db2.gz MMHGIDUNGCNBEJ-UHFFFAOYSA-N 0 0 311.403 3.379 20 10 DGCDRN Cc1cc(N[C@H](C)c2ccc(N3CCOCC3)cc2)nc(C)n1 ZINC000301121991 336291168 /nfs/dbraw/zinc/29/11/68/336291168.db2.gz NXORGUABKMENBP-CQSZACIVSA-N 0 0 312.417 3.103 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000184805214 337200250 /nfs/dbraw/zinc/20/02/50/337200250.db2.gz BNKVQYWRKAAAJY-UHFFFAOYSA-N 0 0 317.820 3.153 20 10 DGCDRN CC[C@@H]([NH2+][C@H]1Cc2ccccc2NC1=O)c1ccc(F)cc1[O-] ZINC000527997626 337778893 /nfs/dbraw/zinc/77/88/93/337778893.db2.gz JBWYABWKRBQIJK-ZBFHGGJFSA-N 0 0 314.360 3.135 20 10 DGCDRN Cc1ncsc1/C=C/C(=O)N1CCOc2ccc(F)cc21 ZINC000186788800 340515808 /nfs/dbraw/zinc/51/58/08/340515808.db2.gz JLYJLSPYDZPOEG-SNAWJCMRSA-N 0 0 304.346 3.029 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000528829556 340736150 /nfs/dbraw/zinc/73/61/50/340736150.db2.gz YBWVVNVXOZKWGW-WSMBLCCSSA-N 0 0 305.418 3.190 20 10 DGCDRN CC(C)c1nocc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000528863655 340737386 /nfs/dbraw/zinc/73/73/86/340737386.db2.gz OTMMFADGBBDLEF-UHFFFAOYSA-N 0 0 314.385 3.312 20 10 DGCDRN Cc1c(/C=C/C(=O)N2CCCSc3ccccc32)cnn1C ZINC000156907319 341628595 /nfs/dbraw/zinc/62/85/95/341628595.db2.gz IZEMTKQWGGDIBY-CMDGGOBGSA-N 0 0 313.426 3.271 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CS[C@H](C)C1 ZINC000413508515 533970980 /nfs/dbraw/zinc/97/09/80/533970980.db2.gz URFUQHKUBASSGL-DGCLKSJQSA-N 0 0 317.458 3.180 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)c1cccnc1 ZINC000349213153 533971032 /nfs/dbraw/zinc/97/10/32/533971032.db2.gz JIRQGACXLXTGSF-CQSZACIVSA-N 0 0 322.412 3.442 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CCCCO1 ZINC000267951513 519655296 /nfs/dbraw/zinc/65/52/96/519655296.db2.gz MOCUBFWXOCHLCJ-GOSISDBHSA-N 0 0 318.461 3.449 20 10 DGCDRN CC(C)COc1ccc(CC(=O)NCc2ccccc2O)cc1 ZINC000264382684 519762860 /nfs/dbraw/zinc/76/28/60/519762860.db2.gz CJSLAHCRBDXHFI-UHFFFAOYSA-N 0 0 313.397 3.286 20 10 DGCDRN CC(C)c1cccc(OCC(=O)NCCc2ccc(N)cc2)c1 ZINC000152581197 519842850 /nfs/dbraw/zinc/84/28/50/519842850.db2.gz FYRFMNITQPFBLU-UHFFFAOYSA-N 0 0 312.413 3.130 20 10 DGCDRN CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)Cc1ccc(N)cc1 ZINC000236642250 520513118 /nfs/dbraw/zinc/51/31/18/520513118.db2.gz FWGPUJGUJXZXRF-GOSISDBHSA-N 0 0 324.424 3.190 20 10 DGCDRN CCCn1ncc(C(=O)N(C)Cc2ccccc2O)c1C1CC1 ZINC000158077907 521670007 /nfs/dbraw/zinc/67/00/07/521670007.db2.gz OLVYQGWVSKLXSK-UHFFFAOYSA-N 0 0 313.401 3.148 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)CCC(=O)OC(C)(C)C ZINC000192434113 521687301 /nfs/dbraw/zinc/68/73/01/521687301.db2.gz ZGBYBENYWMCTMW-UHFFFAOYSA-N 0 0 321.417 3.253 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)CC[C@H]1CC[C@H](C)O1 ZINC000175866894 521688015 /nfs/dbraw/zinc/68/80/15/521688015.db2.gz KIDLWXXCYUKGCD-GOEBONIOSA-N 0 0 305.418 3.479 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(F)cn1 ZINC000181855804 521688362 /nfs/dbraw/zinc/68/83/62/521688362.db2.gz QLXAYKDTRVTMLK-UHFFFAOYSA-N 0 0 303.337 3.370 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](C)c1c(C)n[nH]c1C ZINC000183551448 521689314 /nfs/dbraw/zinc/68/93/14/521689314.db2.gz ZMRFLQAAWBBJIM-GFCCVEGCSA-N 0 0 315.417 3.274 20 10 DGCDRN Cc1cnc(NCc2ccc(N3CCSCC3)cc2)nc1C ZINC000301854822 534586724 /nfs/dbraw/zinc/58/67/24/534586724.db2.gz COHZBVRMDXIWAH-UHFFFAOYSA-N 0 0 314.458 3.259 20 10 DGCDRN CCS[C@@H]1CCC[C@@H](NC(=O)NCc2ccccc2O)C1 ZINC000267356734 521724698 /nfs/dbraw/zinc/72/46/98/521724698.db2.gz RYJZPGCJKVTTPZ-ZIAGYGMSSA-N 0 0 308.447 3.256 20 10 DGCDRN COc1c(C)cc(S(=O)(=O)Nc2ccc(O)cc2C)cc1C ZINC000266480867 521800112 /nfs/dbraw/zinc/80/01/12/521800112.db2.gz SYFXAYOVRATRBF-UHFFFAOYSA-N 0 0 321.398 3.127 20 10 DGCDRN CC[C@@H](C)CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000189695750 521929556 /nfs/dbraw/zinc/92/95/56/521929556.db2.gz IWVCVXZERXKJRC-GDBMZVCRSA-N 0 0 305.418 3.336 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2cc(C(C)(C)C)on2)cc1 ZINC000266002393 522169278 /nfs/dbraw/zinc/16/92/78/522169278.db2.gz FDLYYPWNRNYJAJ-UHFFFAOYSA-N 0 0 315.417 3.310 20 10 DGCDRN CC[C@@H](CNC(=O)Cc1ccc(N)cc1)Oc1ccccc1C ZINC000236961032 522533517 /nfs/dbraw/zinc/53/35/17/522533517.db2.gz CPGXLPXEBVLHDR-KRWDZBQOSA-N 0 0 312.413 3.094 20 10 DGCDRN CC[C@@H](CSC)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000180803104 522608466 /nfs/dbraw/zinc/60/84/66/522608466.db2.gz BOUWJJQRWYAZRT-HNNXBMFYSA-N 0 0 321.490 3.228 20 10 DGCDRN CC[C@@H]1CCCC[C@H]1OCC(=O)N(C)Cc1ccccc1O ZINC000184566263 523226733 /nfs/dbraw/zinc/22/67/33/523226733.db2.gz GZRJKJKJPJPILI-RHSMWYFYSA-N 0 0 305.418 3.336 20 10 DGCDRN CO[C@@H](C)c1nc(CNCc2cc(C)c(C)cc2O)cs1 ZINC000267594998 523471920 /nfs/dbraw/zinc/47/19/20/523471920.db2.gz BYOOIXJSIRYMHV-LBPRGKRZSA-N 0 0 306.431 3.463 20 10 DGCDRN CC[C@@](C)(NC(=O)/C=C/c1ccc(O)c(O)c1)c1nccs1 ZINC000180802260 523646751 /nfs/dbraw/zinc/64/67/51/523646751.db2.gz RVPJLMHMRMYXQX-BIENSFFJSA-N 0 0 318.398 3.009 20 10 DGCDRN CC[C@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC000183474538 523787634 /nfs/dbraw/zinc/78/76/34/523787634.db2.gz NLSNQIPKVQZWHU-BBRMVZONSA-N 0 0 313.397 3.339 20 10 DGCDRN CCc1cc(O)ccc1NS(=O)(=O)c1cc(C)ccc1C ZINC000189435079 523829998 /nfs/dbraw/zinc/82/99/98/523829998.db2.gz IUDUQXYDFKQVNS-UHFFFAOYSA-N 0 0 305.399 3.372 20 10 DGCDRN Cc1cc(C(=O)NCc2ccc(O)c(O)c2)c(C)n1C(C)C ZINC000158937223 524106527 /nfs/dbraw/zinc/10/65/27/524106527.db2.gz HIWBWCVFZHJCSS-UHFFFAOYSA-N 0 0 302.374 3.027 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H]1CC[C@H](O)C1 ZINC000191364509 524219536 /nfs/dbraw/zinc/21/95/36/524219536.db2.gz WSVYLBAXSLGRHS-KGLIPLIRSA-N 0 0 318.442 3.046 20 10 DGCDRN C[C@H](CCc1cccc(F)c1)C(=O)NCc1ccccc1O ZINC000266552316 524236805 /nfs/dbraw/zinc/23/68/05/524236805.db2.gz MOOREKAYVCENGE-CYBMUJFWSA-N 0 0 301.361 3.416 20 10 DGCDRN O=C(C=Cc1ccc(O)c(O)c1)Nc1c[nH]nc1-c1ccccc1 ZINC000181232565 534775433 /nfs/dbraw/zinc/77/54/33/534775433.db2.gz LDFSYBYOVWRGMJ-VQHVLOKHSA-N 0 0 321.336 3.140 20 10 DGCDRN C[C@@H](CCCc1ccccc1)C(=O)NCc1ccc(O)c(O)c1 ZINC000182509933 524466796 /nfs/dbraw/zinc/46/67/96/524466796.db2.gz GGURDXXTBICTNC-AWEZNQCLSA-N 0 0 313.397 3.373 20 10 DGCDRN COc1ccc(O)c(CN2CCO[C@H](c3cccc(F)c3)C2)c1 ZINC000180024731 524740692 /nfs/dbraw/zinc/74/06/92/524740692.db2.gz RQBOTDFZFJCUFD-SFHVURJKSA-N 0 0 317.360 3.113 20 10 DGCDRN COc1ccc(O)c([C@H](C)NCc2csc([C@H](C)OC)n2)c1 ZINC000182393102 524771184 /nfs/dbraw/zinc/77/11/84/524771184.db2.gz XVPMLCAXGDENGD-QWRGUYRKSA-N 0 0 322.430 3.416 20 10 DGCDRN COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000191212958 524801363 /nfs/dbraw/zinc/80/13/63/524801363.db2.gz PYANCCHYUOZAHV-IINYFYTJSA-N 0 0 323.339 3.063 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCCC1(C)C ZINC000194470275 524894034 /nfs/dbraw/zinc/89/40/34/524894034.db2.gz CLIZGMVCXMGZAY-JSGCOSHPSA-N 0 0 305.418 3.361 20 10 DGCDRN Cc1ccc(O)c(CNc2ccc(OCC(C)(C)O)cc2)c1 ZINC000269442376 525355443 /nfs/dbraw/zinc/35/54/43/525355443.db2.gz JRLHZCUNHXBSNO-UHFFFAOYSA-N 0 0 301.386 3.462 20 10 DGCDRN Cc1ccoc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000264793981 525778953 /nfs/dbraw/zinc/77/89/53/525778953.db2.gz XZFYTEFMPSPDGG-HNNXBMFYSA-N 0 0 315.369 3.115 20 10 DGCDRN CS[C@H](C)CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000269818615 525875476 /nfs/dbraw/zinc/87/54/76/525875476.db2.gz ISKOKTHEIZBHOK-CQSZACIVSA-N 0 0 323.506 3.424 20 10 DGCDRN COc1cccc(CNC(=O)CCc2cc(C)cc(C)c2)c1O ZINC000159750120 525967418 /nfs/dbraw/zinc/96/74/18/525967418.db2.gz KUGINOCEPIGMEL-UHFFFAOYSA-N 0 0 313.397 3.267 20 10 DGCDRN COc1cccc(CNC(=O)N[C@H]2CCC[C@H](C)CC2)c1O ZINC000190967353 525991762 /nfs/dbraw/zinc/99/17/62/525991762.db2.gz UZILXRLATBJVHT-JSGCOSHPSA-N 0 0 306.406 3.169 20 10 DGCDRN C[C@H](C(=O)NCc1ccc(N(C)C)cc1)c1c(F)cccc1F ZINC000121972191 526081033 /nfs/dbraw/zinc/08/10/33/526081033.db2.gz GTAZBAFWVJPZGK-LBPRGKRZSA-N 0 0 318.367 3.451 20 10 DGCDRN Cc1cc(C(=O)N(C)[C@@H]2CCSC2)c(C)n1-c1ccccn1 ZINC000162583841 526226675 /nfs/dbraw/zinc/22/66/75/526226675.db2.gz NOQVSKJQSQKXPM-CQSZACIVSA-N 0 0 315.442 3.067 20 10 DGCDRN O=C(CC1CC1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000266369638 526345481 /nfs/dbraw/zinc/34/54/81/526345481.db2.gz INAXKVKGXXIPQM-CYBMUJFWSA-N 0 0 324.371 3.173 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)c1csc2c1CCCC2 ZINC000122462405 526409618 /nfs/dbraw/zinc/40/96/18/526409618.db2.gz PZYLHCKVDSNAKG-UHFFFAOYSA-N 0 0 317.410 3.011 20 10 DGCDRN CC(=O)CCCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000299264392 526417040 /nfs/dbraw/zinc/41/70/40/526417040.db2.gz VFUZCQWETVHFSH-UHFFFAOYSA-N 0 0 304.434 3.249 20 10 DGCDRN Cc1noc(C)c1[C@H](C)CC(=O)N(C)Cc1ccccc1O ZINC000159081467 526567298 /nfs/dbraw/zinc/56/72/98/526567298.db2.gz GTEYCHTVHKUXBE-LLVKDONJSA-N 0 0 302.374 3.149 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)C1(Cc2ccccc2)CCC1 ZINC000182528736 526687313 /nfs/dbraw/zinc/68/73/13/526687313.db2.gz FCVGYBNVFSECTL-UHFFFAOYSA-N 0 0 311.381 3.127 20 10 DGCDRN Cc1nc(C)c([C@H](C)N(C)C(=O)Cc2ccc(N)cc2)s1 ZINC000237598228 526749186 /nfs/dbraw/zinc/74/91/86/526749186.db2.gz WAWMHEVCPZQHJY-NSHDSACASA-N 0 0 303.431 3.104 20 10 DGCDRN Cc1nc(NCc2ccc(N(C)C)c(F)c2)ccc1[N+](=O)[O-] ZINC000268496000 526998335 /nfs/dbraw/zinc/99/83/35/526998335.db2.gz PBEDVLBMPNCNNT-UHFFFAOYSA-N 0 0 304.325 3.115 20 10 DGCDRN Cc1nc2c(s1)[C@@H](N(C)C(=O)Cc1ccc(N)cc1)CCC2 ZINC000237289213 527106777 /nfs/dbraw/zinc/10/67/77/527106777.db2.gz GREHULVECSWGNP-HNNXBMFYSA-N 0 0 315.442 3.112 20 10 DGCDRN O=C(Cc1cccs1)NCc1c(O)ccc2c1CCCC2 ZINC000156348548 527302558 /nfs/dbraw/zinc/30/25/58/527302558.db2.gz ICEQMFQEOKPKLZ-UHFFFAOYSA-N 0 0 301.411 3.191 20 10 DGCDRN Nc1ccc(CC(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000237903290 527476707 /nfs/dbraw/zinc/47/67/07/527476707.db2.gz VPCJXLBTOSMEKU-FXAWDEMLSA-N 0 0 324.424 3.095 20 10 DGCDRN Nc1ccc(CC(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000237911778 527478692 /nfs/dbraw/zinc/47/86/92/527478692.db2.gz BKWGLNAAOCQHEQ-PKOBYXMFSA-N 0 0 308.425 3.339 20 10 DGCDRN Nc1ccc(CCNC(=O)CCCc2ccc(F)c(F)c2)cc1 ZINC000238122854 527479631 /nfs/dbraw/zinc/47/96/31/527479631.db2.gz YHNZAIZELBXVSB-UHFFFAOYSA-N 0 0 318.367 3.229 20 10 DGCDRN FC(F)Oc1ccc(N2CCC[C@@H](Nc3cnccn3)C2)cc1 ZINC000266280094 527696379 /nfs/dbraw/zinc/69/63/79/527696379.db2.gz SZDNKWMXVVRGIR-GFCCVEGCSA-N 0 0 320.343 3.159 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCC(=O)C[C@@H]2C)cc1 ZINC000179547640 528305979 /nfs/dbraw/zinc/30/59/79/528305979.db2.gz MMBPZBSXESNPTN-KSSFIOAISA-N 0 0 316.445 3.154 20 10 DGCDRN CC[C@H](C)[C@@H](OC)C(=O)NCc1c(C)c2ccccc2n1C ZINC000357144359 529226602 /nfs/dbraw/zinc/22/66/02/529226602.db2.gz AOIHDRJGQTXKGQ-YVEFUNNKSA-N 0 0 302.418 3.164 20 10 DGCDRN CCC[C@H](C)CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000299524870 535600503 /nfs/dbraw/zinc/60/05/03/535600503.db2.gz PUDLAIDMLLQWIY-INIZCTEOSA-N 0 0 318.461 3.308 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccc(F)cc1[O-] ZINC000286157922 535908025 /nfs/dbraw/zinc/90/80/25/535908025.db2.gz PSUYSWDNOOZUPU-DOTOQJQBSA-N 0 0 307.340 3.445 20 10 DGCDRN CC[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1ccc(F)cc1[O-] ZINC000285820588 535911282 /nfs/dbraw/zinc/91/12/82/535911282.db2.gz WKEOGOQYZCQVBN-LSDHHAIUSA-N 0 0 306.381 3.468 20 10 DGCDRN CN(C(=O)/C=C/c1cnn(-c2ccccc2)c1)c1cccc(F)n1 ZINC000493856303 535938407 /nfs/dbraw/zinc/93/84/07/535938407.db2.gz LPNWVEJVPFPVPX-ZHACJKMWSA-N 0 0 322.343 3.083 20 10 DGCDRN COCCOc1ccccc1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000273381783 536732002 /nfs/dbraw/zinc/73/20/02/536732002.db2.gz IHKBMPPIRMZUPU-ZDUSSCGKSA-N 0 0 319.376 3.407 20 10 DGCDRN COc1cccc(CC(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000471236540 537103458 /nfs/dbraw/zinc/10/34/58/537103458.db2.gz XNXSKOUHKQJKEO-UHFFFAOYSA-N 0 0 322.408 3.354 20 10 DGCDRN O=C(CSc1nccs1)c1ccc(N2CCCC2=O)cc1 ZINC000052914134 545694132 /nfs/dbraw/zinc/69/41/32/545694132.db2.gz YBPDABWRWIVTMI-UHFFFAOYSA-N 0 0 318.423 3.245 20 10 DGCDRN Cc1cnc(C[NH2+]Cc2cccc(Br)c2[O-])s1 ZINC000230686670 546274825 /nfs/dbraw/zinc/27/48/25/546274825.db2.gz KFIHXSFJXPSACZ-UHFFFAOYSA-N 0 0 313.220 3.209 20 10 DGCDRN COc1ccc(C(=O)N(C)Cc2ccccc2O)c(Cl)c1 ZINC000731051407 574542612 /nfs/dbraw/zinc/54/26/12/574542612.db2.gz LBNVUQKMSHPVMO-UHFFFAOYSA-N 0 0 305.761 3.326 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](C)OCC(C)C)cc1F ZINC000731346656 574547624 /nfs/dbraw/zinc/54/76/24/574547624.db2.gz OFIGEAQANMMZFT-CQSZACIVSA-N 0 0 324.440 3.349 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CCCCC2)cc1F ZINC000731362020 574547879 /nfs/dbraw/zinc/54/78/79/574547879.db2.gz LICQFOAXDNDZED-UHFFFAOYSA-N 0 0 307.413 3.367 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NCC2CCC2)cc1F ZINC000731363963 574547959 /nfs/dbraw/zinc/54/79/59/574547959.db2.gz FPDUPQMJYUESGU-UHFFFAOYSA-N 0 0 307.413 3.271 20 10 DGCDRN CCN(Cc1nnc(C(C)(C)C)o1)c1ccc(OC)c(OC)c1 ZINC000731667492 574554688 /nfs/dbraw/zinc/55/46/88/574554688.db2.gz SFGJSJRHLMLICN-UHFFFAOYSA-N 0 0 319.405 3.411 20 10 DGCDRN O=C(NCc1cc(Br)cs1)C1=CC(=O)CS1 ZINC000731872132 574560551 /nfs/dbraw/zinc/56/05/51/574560551.db2.gz WYAXVVDAHLPPFJ-UHFFFAOYSA-N 0 0 318.217 3.208 20 10 DGCDRN O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)C1=CC(=O)CS1 ZINC000731871553 574560570 /nfs/dbraw/zinc/56/05/70/574560570.db2.gz IGCAJJYFJICZKV-CQSZACIVSA-N 0 0 319.382 3.264 20 10 DGCDRN O=C(Nc1cccc(OC[C@H]2CCCO2)c1)C1=CC(=O)CS1 ZINC000732267772 574569465 /nfs/dbraw/zinc/56/94/65/574569465.db2.gz VHTNIWCWFBYFSK-CQSZACIVSA-N 0 0 319.382 3.264 20 10 DGCDRN COc1cccc(C[C@H]2CCCN2C(=O)C2=CC(=O)CS2)c1 ZINC000732274677 574569882 /nfs/dbraw/zinc/56/98/82/574569882.db2.gz LZKHUPQPSQMUME-CYBMUJFWSA-N 0 0 317.410 3.310 20 10 DGCDRN CCCC(=O)Nc1ccc(CNC(=O)C2=CC(=O)CS2)cc1 ZINC000732272097 574569909 /nfs/dbraw/zinc/56/99/09/574569909.db2.gz GZTOABXYGPTVJY-UHFFFAOYSA-N 0 0 318.398 3.122 20 10 DGCDRN CC(C)COc1ccccc1CNC(=O)C1=CC(=O)CS1 ZINC000732276930 574570120 /nfs/dbraw/zinc/57/01/20/574570120.db2.gz WYKKYNLNWVKNIE-UHFFFAOYSA-N 0 0 305.399 3.419 20 10 DGCDRN O=C(N[C@@H](c1ccccc1)c1cccnc1)C1=CC(=O)CS1 ZINC000732286337 574570766 /nfs/dbraw/zinc/57/07/66/574570766.db2.gz RAEYOPIMMDQMAC-INIZCTEOSA-N 0 0 310.378 3.368 20 10 DGCDRN CCCOc1ccc(OCCOC(=O)C2=CC(=O)CS2)cc1 ZINC000732353442 574572128 /nfs/dbraw/zinc/57/21/28/574572128.db2.gz PABKRTUAFKKZSX-UHFFFAOYSA-N 0 0 322.382 3.478 20 10 DGCDRN Cc1ccc(F)cc1NC(=O)[C@@H](C)OC(=O)C1=CC(=O)CS1 ZINC000732353704 574572258 /nfs/dbraw/zinc/57/22/58/574572258.db2.gz LDNFTLQPBYVUNE-SECBINFHSA-N 0 0 323.345 3.085 20 10 DGCDRN Cc1cccc(NC(=O)[C@H](C)OC(=O)C2=CC(=O)CS2)c1C ZINC000732353998 574572379 /nfs/dbraw/zinc/57/23/79/574572379.db2.gz MSQQTUDUNHOCDV-NSHDSACASA-N 0 0 319.382 3.255 20 10 DGCDRN COc1cc(CN(C)Cc2nccn2C)c(O)c(C(C)(C)C)c1 ZINC000732475756 574574750 /nfs/dbraw/zinc/57/47/50/574574750.db2.gz MTXLDULYUASLLH-UHFFFAOYSA-N 0 0 317.433 3.064 20 10 DGCDRN C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000733806636 574638983 /nfs/dbraw/zinc/63/89/83/574638983.db2.gz GMTDNZZYXNRQRA-KGLIPLIRSA-N 0 0 322.474 3.180 20 10 DGCDRN O=C(CCc1ccccc1)NCCCSc1nccs1 ZINC000733884005 574641533 /nfs/dbraw/zinc/64/15/33/574641533.db2.gz JQMZXLZATLAJSN-UHFFFAOYSA-N 0 0 306.456 3.374 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CO[C@H]1CCCC[C@H]1C ZINC000734406239 574659908 /nfs/dbraw/zinc/65/99/08/574659908.db2.gz OFIQJAGJZWVLPO-KDOFPFPSSA-N 0 0 318.461 3.273 20 10 DGCDRN Cc1nc(CCC(=O)NCc2ccc(N(C)C)cc2C)cs1 ZINC000734406573 574659987 /nfs/dbraw/zinc/65/99/87/574659987.db2.gz WCCBIWHTETVEHI-UHFFFAOYSA-N 0 0 317.458 3.075 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CC[C@H](C)CC1 ZINC000734668436 574671845 /nfs/dbraw/zinc/67/18/45/574671845.db2.gz GFMMLGIFPZVZGE-SAZUREKKSA-N 0 0 303.450 3.439 20 10 DGCDRN Cc1ccc(C)c(NNC(=S)Nc2ccc3c(c2)OCO3)c1 ZINC000735235643 574693405 /nfs/dbraw/zinc/69/34/05/574693405.db2.gz WWADELBMELMCNS-UHFFFAOYSA-N 0 0 315.398 3.346 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)CC2CCOCC2)cc1 ZINC000735245686 574694046 /nfs/dbraw/zinc/69/40/46/574694046.db2.gz MLAUUMBJLNQGKJ-UHFFFAOYSA-N 0 0 318.461 3.308 20 10 DGCDRN C[C@H](CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1CC1 ZINC000735518715 574705855 /nfs/dbraw/zinc/70/58/55/574705855.db2.gz JYORHUILQFLXKV-RHSMWYFYSA-N 0 0 317.429 3.336 20 10 DGCDRN CC(C)SCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000735517784 574705870 /nfs/dbraw/zinc/70/58/70/574705870.db2.gz OJNTXZVBUZTGHO-HNNXBMFYSA-N 0 0 323.458 3.041 20 10 DGCDRN COc1ccccc1[C@H]1CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000738554719 574873045 /nfs/dbraw/zinc/87/30/45/574873045.db2.gz IOYXPFDMZJDMDZ-NSHDSACASA-N 0 0 303.383 3.092 20 10 DGCDRN CCc1ocnc1C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000739492821 574905201 /nfs/dbraw/zinc/90/52/01/574905201.db2.gz FWMFEFKRCTVQET-UHFFFAOYSA-N 0 0 315.417 3.355 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[C@H]1CCOC1 ZINC000739688310 574910661 /nfs/dbraw/zinc/91/06/61/574910661.db2.gz NRXONJLFTXEGSM-QGZVFWFLSA-N 0 0 316.445 3.062 20 10 DGCDRN C[C@H]1C[C@H](NC(=O)NCc2ccc(N(C)C)cc2)C[C@@H](C)C1 ZINC000740023192 574919155 /nfs/dbraw/zinc/91/91/55/574919155.db2.gz OCWPJUHXIBNRRF-FOLVSLTJSA-N 0 0 303.450 3.377 20 10 DGCDRN C[C@@H]1C[C@H](C)CN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000740906142 574945602 /nfs/dbraw/zinc/94/56/02/574945602.db2.gz AMGQYMLMQSEYIH-LSDHHAIUSA-N 0 0 301.434 3.227 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@H](C)C[C@H]2C)cc1 ZINC000740906962 574945661 /nfs/dbraw/zinc/94/56/61/574945661.db2.gz KGGFSQGUGVYODQ-HUUCEWRRSA-N 0 0 303.450 3.473 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@H](C)C[C@@H]2C)cc1 ZINC000740906960 574945666 /nfs/dbraw/zinc/94/56/66/574945666.db2.gz KGGFSQGUGVYODQ-CABCVRRESA-N 0 0 303.450 3.473 20 10 DGCDRN C[C@@H]1C[C@H](C)N(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000740906136 574945682 /nfs/dbraw/zinc/94/56/82/574945682.db2.gz AMGQYMLMQSEYIH-CABCVRRESA-N 0 0 301.434 3.227 20 10 DGCDRN COc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(C)c1 ZINC000742040580 574980036 /nfs/dbraw/zinc/98/00/36/574980036.db2.gz PLNUMDMLLBZQAR-UHFFFAOYSA-N 0 0 312.413 3.342 20 10 DGCDRN CCO[C@H](CC)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000742469116 575001676 /nfs/dbraw/zinc/00/16/76/575001676.db2.gz YYUHGJHGVHMWBT-QGZVFWFLSA-N 0 0 304.434 3.108 20 10 DGCDRN COC(C)(C)CNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000742720151 575014985 /nfs/dbraw/zinc/01/49/85/575014985.db2.gz QSLNPFXJOJTVCW-UHFFFAOYSA-N 0 0 318.392 3.388 20 10 DGCDRN O=C(NCc1ccccc1O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000743328806 575043258 /nfs/dbraw/zinc/04/32/58/575043258.db2.gz VPUMGGMPOSLVIV-OLZOCXBDSA-N 0 0 303.308 3.090 20 10 DGCDRN COc1ccc(C(=O)N[C@H](C)c2cc(OC)ccc2O)c(C)c1 ZINC000743337285 575043794 /nfs/dbraw/zinc/04/37/94/575043794.db2.gz SQMYMLYDYQLJSO-GFCCVEGCSA-N 0 0 315.369 3.209 20 10 DGCDRN CC[C@H](C[C@H](C)CO)[NH2+]Cc1cccc(Br)c1[O-] ZINC000743499195 575054867 /nfs/dbraw/zinc/05/48/67/575054867.db2.gz JJMGGZFPIOEQIX-CMPLNLGQSA-N 0 0 316.239 3.041 20 10 DGCDRN Cc1occc1CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743555989 575056672 /nfs/dbraw/zinc/05/66/72/575056672.db2.gz FMIYBEYHAKJXAW-UHFFFAOYSA-N 0 0 314.385 3.172 20 10 DGCDRN COc1ccc([C@H](C)CCNC(=O)C2=CC(=O)CS2)cc1 ZINC000743628495 575059171 /nfs/dbraw/zinc/05/91/71/575059171.db2.gz ROEFNBYEDPSJDC-LLVKDONJSA-N 0 0 305.399 3.386 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cccc(Cl)n1 ZINC000743718854 575062088 /nfs/dbraw/zinc/06/20/88/575062088.db2.gz MGMSMGCMBPRPHD-UHFFFAOYSA-N 0 0 316.788 3.249 20 10 DGCDRN CCC(O)(CC)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000743712447 575062169 /nfs/dbraw/zinc/06/21/69/575062169.db2.gz IPIQXKFDNYQCFT-UHFFFAOYSA-N 0 0 314.429 3.375 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(F)c(C)c2)c1 ZINC000728979497 575199028 /nfs/dbraw/zinc/19/90/28/575199028.db2.gz WTUMOGHJWIXCRX-NSHDSACASA-N 0 0 303.333 3.339 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3c(c2)CCC3)c1 ZINC000728983720 575199421 /nfs/dbraw/zinc/19/94/21/575199421.db2.gz CXTJQQUDSPSKPR-GFCCVEGCSA-N 0 0 311.381 3.381 20 10 DGCDRN CCc1ccc(O)c(C(=O)N[C@H](C)c2cc(OC)ccc2O)c1 ZINC000729277639 575231690 /nfs/dbraw/zinc/23/16/90/575231690.db2.gz GKLZEJFEAWOUQF-LLVKDONJSA-N 0 0 315.369 3.160 20 10 DGCDRN COc1ccc2c(c1)CCCN2C(=O)/C=C/c1cncc(F)c1 ZINC000729308005 575233116 /nfs/dbraw/zinc/23/31/16/575233116.db2.gz AQOVNLQPDJGGMP-QPJJXVBHSA-N 0 0 312.344 3.222 20 10 DGCDRN CCN(CC[S@@](=O)c1ccccc1)c1ccc(OC)cc1 ZINC000729473820 575251053 /nfs/dbraw/zinc/25/10/53/575251053.db2.gz UNVFIOHBODNIHF-OAQYLSRUSA-N 0 0 303.427 3.329 20 10 DGCDRN O=C(CNc1cccc(C(F)(F)F)c1)NCc1ccccc1O ZINC000729530052 575255468 /nfs/dbraw/zinc/25/54/68/575255468.db2.gz USVHIEFRLWTIOW-UHFFFAOYSA-N 0 0 324.302 3.139 20 10 DGCDRN CO[C@H](CNC(=O)c1ccc(-n2c(C)ccc2C)cc1)C(C)C ZINC000744686321 575352240 /nfs/dbraw/zinc/35/22/40/575352240.db2.gz AGFMHBQCOBPGCZ-GOSISDBHSA-N 0 0 314.429 3.495 20 10 DGCDRN CSc1ccc(F)cc1CNC(=O)NCc1ccccc1O ZINC000745789355 575417656 /nfs/dbraw/zinc/41/76/56/575417656.db2.gz JDERIMZIJCYATB-UHFFFAOYSA-N 0 0 320.389 3.253 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@H]2C[C@@H]2C2CCCCC2)c1 ZINC000745819821 575418771 /nfs/dbraw/zinc/41/87/71/575418771.db2.gz GUIFUAVQWOJLOS-CVEARBPZSA-N 0 0 318.417 3.169 20 10 DGCDRN COc1cccc(CNC(=O)NCC[C@H]2CCCC[C@H]2C)c1O ZINC000745821058 575418797 /nfs/dbraw/zinc/41/87/97/575418797.db2.gz VBEWIUBIAHVKEV-ZIAGYGMSSA-N 0 0 320.433 3.416 20 10 DGCDRN CCN(CC(=O)Nc1cccnc1Cl)c1ccc(OC)cc1 ZINC000746109067 575433344 /nfs/dbraw/zinc/43/33/44/575433344.db2.gz IUTNVQJUIRIEAR-UHFFFAOYSA-N 0 0 319.792 3.209 20 10 DGCDRN CCOc1nnc(CN(CC)c2ccc(OCC)cc2)s1 ZINC000746156476 575436643 /nfs/dbraw/zinc/43/66/43/575436643.db2.gz KVWKCEYDTLSGDY-UHFFFAOYSA-N 0 0 307.419 3.362 20 10 DGCDRN CCOc1ccc(N(CC)CC(=O)N2CCC(C)CC2)cc1 ZINC000746158912 575436932 /nfs/dbraw/zinc/43/69/32/575436932.db2.gz KZTQAIKPBXACKX-UHFFFAOYSA-N 0 0 304.434 3.170 20 10 DGCDRN Cc1cc(C(=O)N(C)c2cn[nH]c2)c(C)n1-c1cccc(C)c1 ZINC000746445433 575453533 /nfs/dbraw/zinc/45/35/33/575453533.db2.gz KSDHREBWKVLQQL-UHFFFAOYSA-N 0 0 308.385 3.402 20 10 DGCDRN Cc1ccc(CCC(=O)N(C)Cc2ccc(N(C)C)cc2)o1 ZINC000746582369 575462944 /nfs/dbraw/zinc/46/29/44/575462944.db2.gz AHBDMGKMRFQDIM-UHFFFAOYSA-N 0 0 300.402 3.245 20 10 DGCDRN C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000746718433 575471882 /nfs/dbraw/zinc/47/18/82/575471882.db2.gz GTLQCNLCAAKVSK-DOMZBBRYSA-N 0 0 307.413 3.270 20 10 DGCDRN CN1CCCc2cc(CNC(=O)Cc3ccc(F)cc3)ccc21 ZINC000746809266 575475865 /nfs/dbraw/zinc/47/58/65/575475865.db2.gz QIOMTXUGADCEAK-UHFFFAOYSA-N 0 0 312.388 3.067 20 10 DGCDRN Cc1cc(C(=O)NCCOC(C)(C)C)c(C)n1-c1ccccn1 ZINC000746866867 575480158 /nfs/dbraw/zinc/48/01/58/575480158.db2.gz UBDDEAUJOHMIFX-UHFFFAOYSA-N 0 0 315.417 3.034 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCOC(C)(C)C ZINC000746979878 575487479 /nfs/dbraw/zinc/48/74/79/575487479.db2.gz WNLHZBQTJHWWHO-UHFFFAOYSA-N 0 0 321.465 3.099 20 10 DGCDRN CC(C)[C@H]1CCCN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000746983156 575488413 /nfs/dbraw/zinc/48/84/13/575488413.db2.gz UEXJBFLOQFYWJS-QGZVFWFLSA-N 0 0 315.461 3.399 20 10 DGCDRN Oc1ccccc1CNc1cc(-c2ccccc2)nc2ncnn21 ZINC000748307925 575579786 /nfs/dbraw/zinc/57/97/86/575579786.db2.gz PIZJYAHGZQWKKP-UHFFFAOYSA-N 0 0 317.352 3.109 20 10 DGCDRN CCN(CCC(F)(F)F)C(=O)NCc1ccc(N(C)C)cc1 ZINC000748323734 575580972 /nfs/dbraw/zinc/58/09/72/575580972.db2.gz CWQXHHOAPMKXEK-UHFFFAOYSA-N 0 0 317.355 3.237 20 10 DGCDRN CCOc1cc(C)ccc1NC(=O)NCc1ccccc1O ZINC000748446716 575587146 /nfs/dbraw/zinc/58/71/46/575587146.db2.gz HSSRLEVNOKZWDI-UHFFFAOYSA-N 0 0 300.358 3.421 20 10 DGCDRN O=C(NCc1nc2ccccc2s1)NCc1ccccc1O ZINC000748462237 575588471 /nfs/dbraw/zinc/58/84/71/575588471.db2.gz CPNCLVLLQZHSPT-UHFFFAOYSA-N 0 0 313.382 3.001 20 10 DGCDRN O=C(NCCc1cccc(Cl)c1)NCc1ccccc1O ZINC000748463636 575588692 /nfs/dbraw/zinc/58/86/92/575588692.db2.gz ZETZQFSDTSJWPI-UHFFFAOYSA-N 0 0 304.777 3.088 20 10 DGCDRN C[C@@H](Cc1ccccc1Cl)NC(=O)NCc1ccccc1O ZINC000748461638 575588718 /nfs/dbraw/zinc/58/87/18/575588718.db2.gz MVFCVFHETZKROJ-LBPRGKRZSA-N 0 0 318.804 3.476 20 10 DGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccnc(F)c1 ZINC000748727849 575603065 /nfs/dbraw/zinc/60/30/65/575603065.db2.gz MLZYDHOODMFCCA-UHFFFAOYSA-N 0 0 313.376 3.141 20 10 DGCDRN CC[C@H](CNC(=O)C1=CC(=O)CS1)Oc1ccccc1F ZINC000748859360 575611982 /nfs/dbraw/zinc/61/19/82/575611982.db2.gz KEEISKZNQNAWDI-LLVKDONJSA-N 0 0 309.362 3.180 20 10 DGCDRN CC[C@@H](NC(=O)C1=CC(=O)CS1)c1cccc([N+](=O)[O-])c1 ZINC000749545582 575664386 /nfs/dbraw/zinc/66/43/86/575664386.db2.gz PAPKKMIRRSJVHR-GFCCVEGCSA-N 0 0 306.343 3.243 20 10 DGCDRN COc1ccc(N(C)Cc2nc3ccccc3n2C)cc1OC ZINC000749905400 575686833 /nfs/dbraw/zinc/68/68/33/575686833.db2.gz DGXFGJJXFUSHIC-UHFFFAOYSA-N 0 0 311.385 3.227 20 10 DGCDRN CCC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])CC(C)(C)O ZINC000750977593 575765457 /nfs/dbraw/zinc/76/54/57/575765457.db2.gz BHTGBHZLVZVUJG-UHFFFAOYSA-N 0 0 313.825 3.231 20 10 DGCDRN CCn1c2ccc(F)cc2nc1/C(Cl)=C/c1cnnn1C ZINC000751031543 575767879 /nfs/dbraw/zinc/76/78/79/575767879.db2.gz JNCKXBAXOVHEPI-XFFZJAGNSA-N 0 0 305.744 3.061 20 10 DGCDRN O=C(/C=C\c1cccnc1)N(CC(F)(F)F)c1ccccn1 ZINC000751108769 575770988 /nfs/dbraw/zinc/77/09/88/575770988.db2.gz UAYRFXUNOLHXOO-SREVYHEPSA-N 0 0 307.275 3.085 20 10 DGCDRN O=S(=O)(NCc1ccccc1O)c1ccc2ccccc2c1 ZINC000751148933 575771998 /nfs/dbraw/zinc/77/19/98/575771998.db2.gz CSZNISVSLRZJPK-UHFFFAOYSA-N 0 0 313.378 3.024 20 10 DGCDRN O=C(CCOCC1CC1)NCc1ccc(N2CCCCC2)cc1 ZINC000751360135 575781425 /nfs/dbraw/zinc/78/14/25/575781425.db2.gz FCGLTKVIORMXKJ-UHFFFAOYSA-N 0 0 316.445 3.110 20 10 DGCDRN CN1CCc2cc(/C=C3/N=C(c4ccc(F)cc4)OC3=O)ccc21 ZINC000751522654 575788257 /nfs/dbraw/zinc/78/82/57/575788257.db2.gz HMFFQNUYKMYUOT-LFIBNONCSA-N 0 0 322.339 3.163 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc(F)c(Cl)c2)c(O)c1O ZINC000751538600 575789923 /nfs/dbraw/zinc/78/99/23/575789923.db2.gz SNBWOYSJADWJSC-UHFFFAOYSA-N 0 0 309.724 3.129 20 10 DGCDRN O=C(OCc1nc(C(F)(F)F)cs1)C1=CC(=O)CS1 ZINC000751716672 575798698 /nfs/dbraw/zinc/79/86/98/575798698.db2.gz XOHUTIKJKYBQHP-UHFFFAOYSA-N 0 0 309.290 3.286 20 10 DGCDRN Cc1nc(C)c(NC(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000751887546 575809681 /nfs/dbraw/zinc/80/96/81/575809681.db2.gz VXHWINIBQWVHEO-UHFFFAOYSA-N 0 0 304.419 3.148 20 10 DGCDRN COc1ccc(N(C)Cc2ccc3c(c2)OCCO3)c(OC)c1 ZINC000752112096 575823749 /nfs/dbraw/zinc/82/37/49/575823749.db2.gz NTYNKVJHSXFEKP-UHFFFAOYSA-N 0 0 315.369 3.111 20 10 DGCDRN Cc1ccc(CC[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])o1 ZINC000725847818 575929471 /nfs/dbraw/zinc/92/94/71/575929471.db2.gz RMRLOPBYWZXVTP-UHFFFAOYSA-N 0 0 310.737 3.188 20 10 DGCDRN Cc1ccccc1C(C)(C)CNC(=O)NCc1ccccc1O ZINC000726251422 576014604 /nfs/dbraw/zinc/01/46/04/576014604.db2.gz XODXFTZITCRTOT-UHFFFAOYSA-N 0 0 312.413 3.478 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)C=C3CCCC3)CC2)cc1 ZINC000726562051 576031222 /nfs/dbraw/zinc/03/12/22/576031222.db2.gz DIMWJZVREJDDEB-UHFFFAOYSA-N 0 0 314.429 3.281 20 10 DGCDRN CCC[C@H](C)NC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000726609658 576033407 /nfs/dbraw/zinc/03/34/07/576033407.db2.gz AHXSMSREZCGFSG-AWEZNQCLSA-N 0 0 319.449 3.152 20 10 DGCDRN CCC(C)(C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000726776649 576041913 /nfs/dbraw/zinc/04/19/13/576041913.db2.gz YKLZDUMFJKMQSW-UHFFFAOYSA-N 0 0 304.434 3.216 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)N2CCCC[C@H]2CC)cc1 ZINC000739923495 576052209 /nfs/dbraw/zinc/05/22/09/576052209.db2.gz GUYTYPVFDZFXMW-OAHLLOKOSA-N 0 0 304.434 3.313 20 10 DGCDRN CCc1ccccc1NC(=S)NCc1cccc(OC)n1 ZINC000748045410 576059539 /nfs/dbraw/zinc/05/95/39/576059539.db2.gz DFJKNGDFRNSLOG-UHFFFAOYSA-N 0 0 301.415 3.139 20 10 DGCDRN CCN(CC)c1ccc(CN[C@@H](C)C(=O)OC(C)(C)C)cc1F ZINC000740007020 576076738 /nfs/dbraw/zinc/07/67/38/576076738.db2.gz QUHXMMGREAQJRW-ZDUSSCGKSA-N 0 0 324.440 3.492 20 10 DGCDRN COC(=O)/C(C)=C/CN1CCCc2cc(OC(F)F)ccc21 ZINC000748814310 576084567 /nfs/dbraw/zinc/08/45/67/576084567.db2.gz ZBSKWYGINOXMQH-YRNVUSSQSA-N 0 0 311.328 3.160 20 10 DGCDRN CN(C)c1ccc(C[N@H+](C)CCOc2ccccc2F)cc1 ZINC000726981098 576091299 /nfs/dbraw/zinc/09/12/99/576091299.db2.gz NBABHWFOMVZWNW-UHFFFAOYSA-N 0 0 302.393 3.403 20 10 DGCDRN Cc1ccccc1OCCCOC(=O)c1ccc(C)c(O)c1O ZINC000727004658 576093710 /nfs/dbraw/zinc/09/37/10/576093710.db2.gz PFRXJMFXRXSTBJ-UHFFFAOYSA-N 0 0 316.353 3.341 20 10 DGCDRN CC[C@@H](C)NC(=S)NCc1ccc(N2CCSCC2)cc1 ZINC000749768623 576102477 /nfs/dbraw/zinc/10/24/77/576102477.db2.gz ZDMWBTFMJMJZGU-CYBMUJFWSA-N 0 0 323.531 3.002 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)CN(C)c1ccccc1 ZINC000727168020 576110412 /nfs/dbraw/zinc/11/04/12/576110412.db2.gz HFNSBPKIYKFLTP-UHFFFAOYSA-N 0 0 312.413 3.267 20 10 DGCDRN COc1ccccc1/C(C)=C\C(=O)NCc1ccc(N(C)C)cc1 ZINC000727295836 576118259 /nfs/dbraw/zinc/11/82/59/576118259.db2.gz AJISGLLJISSIFI-SQFISAMPSA-N 0 0 324.424 3.481 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=S)NC2CCCCC2)c1 ZINC000728792212 576204365 /nfs/dbraw/zinc/20/43/65/576204365.db2.gz IFPCODMWKKNIAH-LLVKDONJSA-N 0 0 308.447 3.259 20 10 DGCDRN Cc1ccc(C(=O)N(C)Cc2ccc(Cl)s2)c(O)c1O ZINC000751530554 576206558 /nfs/dbraw/zinc/20/65/58/576206558.db2.gz NQTFDPLWQTYLQX-UHFFFAOYSA-N 0 0 311.790 3.393 20 10 DGCDRN CCC[C@@H](NC(=O)NCc1c(O)cccc1F)c1ccccn1 ZINC000916788663 620645836 /nfs/dbraw/zinc/64/58/36/620645836.db2.gz YPINMGFVQTUTJA-OAHLLOKOSA-N 0 0 317.364 3.267 20 10 DGCDRN CCC1CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000917091124 620656321 /nfs/dbraw/zinc/65/63/21/620656321.db2.gz KJJUNJSUCWZWHO-ALCCZGGFSA-N 0 0 318.373 3.407 20 10 DGCDRN CSCCCN1C(=O)/C(=C/c2ccc(C)nc2)SC1=S ZINC000154296287 620658216 /nfs/dbraw/zinc/65/82/16/620658216.db2.gz PBLMTHVZFLWNEN-WQLSENKSSA-N 0 0 324.496 3.344 20 10 DGCDRN CN(C)c1ccc(CN(C(=S)NC(C)(C)C)C2CC2)cc1 ZINC000917594984 620677599 /nfs/dbraw/zinc/67/75/99/620677599.db2.gz SJNOULBFIDVNSE-UHFFFAOYSA-N 0 0 305.491 3.390 20 10 DGCDRN O=C(NCc1ccc(N2CCSCC2)cc1)C1=CCCCC1 ZINC000154460469 620679481 /nfs/dbraw/zinc/67/94/81/620679481.db2.gz SEIQEDZZMXGIFU-UHFFFAOYSA-N 0 0 316.470 3.356 20 10 DGCDRN CCn1nccc1C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000853239865 620681103 /nfs/dbraw/zinc/68/11/03/620681103.db2.gz JQEDYMDHZLYXHS-JTQLQIEISA-N 0 0 313.323 3.478 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N(CCC2CC2)CC2CC2)cc1 ZINC000853245448 620681856 /nfs/dbraw/zinc/68/18/56/620681856.db2.gz ZKZKVICLKLMCEQ-UHFFFAOYSA-N 0 0 315.461 3.474 20 10 DGCDRN COC(=O)c1cnc(SCCSC(F)(F)F)s1 ZINC000917777725 620683689 /nfs/dbraw/zinc/68/36/89/620683689.db2.gz KVBQDXGVQSOSAJ-UHFFFAOYSA-N 0 0 303.352 3.275 20 10 DGCDRN Cc1cc(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)[nH]n1 ZINC000917958856 620689028 /nfs/dbraw/zinc/68/90/28/620689028.db2.gz ZVSVBSPQCXNWHU-UHFFFAOYSA-N 0 0 322.412 3.098 20 10 DGCDRN CCC1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000154641525 620697045 /nfs/dbraw/zinc/69/70/45/620697045.db2.gz OEOPJQGSQWCXDM-UHFFFAOYSA-N 0 0 313.492 3.457 20 10 DGCDRN Cc1cc(CO)cc(N2CC=C(c3ccc(Cl)nc3)CC2)n1 ZINC000853467809 620698247 /nfs/dbraw/zinc/69/82/47/620698247.db2.gz JIKHUTHWZJVNQS-UHFFFAOYSA-N 0 0 315.804 3.224 20 10 DGCDRN CCCN(CC(=O)OC)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000918177692 620700483 /nfs/dbraw/zinc/70/04/83/620700483.db2.gz IJWKADUFKWYXLY-UHFFFAOYSA-N 0 0 307.434 3.383 20 10 DGCDRN COCC[N@H+](CCF)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000853548536 620709196 /nfs/dbraw/zinc/70/91/96/620709196.db2.gz GITWYUBSIROUJG-UHFFFAOYSA-N 0 0 321.392 3.435 20 10 DGCDRN O=C(c1ccccc1)c1ccc(O)c(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1[O-] ZINC000853576929 620711806 /nfs/dbraw/zinc/71/18/06/620711806.db2.gz GXWAYFPZTYFNND-HUUCEWRRSA-N 0 0 323.392 3.171 20 10 DGCDRN Cc1cc(C(=O)NCc2nnc(C)o2)c(C)n1-c1ccccc1C ZINC000918629909 620717337 /nfs/dbraw/zinc/71/73/37/620717337.db2.gz ZLAHJAJVHDELNS-UHFFFAOYSA-N 0 0 324.384 3.024 20 10 DGCDRN COC(=O)/C=C\c1ccc(N(C)Cc2ccoc2)c([N+](=O)[O-])c1 ZINC000918735639 620722862 /nfs/dbraw/zinc/72/28/62/620722862.db2.gz KXWWIMMXYVSBQM-XQRVVYSFSA-N 0 0 316.313 3.010 20 10 DGCDRN CCC[C@@H](O)CNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000154804746 620723336 /nfs/dbraw/zinc/72/33/36/620723336.db2.gz ZNQQWNMIYRITDX-MRXNPFEDSA-N 0 0 318.392 3.124 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1cc(CO)c(F)cn1 ZINC000853692116 620725376 /nfs/dbraw/zinc/72/53/76/620725376.db2.gz PIWOASDIGHERLG-CYBMUJFWSA-N 0 0 317.408 3.131 20 10 DGCDRN COc1ccc(N2CC[C@H](Nc3ncccc3Cl)C2)cc1 ZINC000853758806 620734567 /nfs/dbraw/zinc/73/45/67/620734567.db2.gz KRWRSNRWSMAWBA-LBPRGKRZSA-N 0 0 303.793 3.434 20 10 DGCDRN COc1ccc(N2CC[C@H](Nc3nnc(C(C)C)s3)C2)cc1 ZINC000853759121 620734581 /nfs/dbraw/zinc/73/45/81/620734581.db2.gz PLLZWCRLYRMIMR-LBPRGKRZSA-N 0 0 318.446 3.361 20 10 DGCDRN C[C@H](NS(=O)(=O)CCC(C)(C)C1CC1)c1ccccc1O ZINC000919120057 620736570 /nfs/dbraw/zinc/73/65/70/620736570.db2.gz VCBUKKTUMNFYFD-LBPRGKRZSA-N 0 0 311.447 3.199 20 10 DGCDRN CCC[C@@H]1C[C@@H](C(=O)NCc2cccc(Cl)c2O)CCO1 ZINC000890759721 617656320 /nfs/dbraw/zinc/65/63/20/617656320.db2.gz PFEITYYMZVZFEO-WCQYABFASA-N 0 0 311.809 3.257 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1CCCc2cccnc21 ZINC000890759757 617656342 /nfs/dbraw/zinc/65/63/42/617656342.db2.gz QMEQLOJUCZEYNZ-CYBMUJFWSA-N 0 0 316.788 3.177 20 10 DGCDRN Cc1ncc(C(=O)NCc2cccc(Cl)c2O)c(C(C)C)n1 ZINC000890760369 617656976 /nfs/dbraw/zinc/65/69/76/617656976.db2.gz PSXWJGALKVCWKI-UHFFFAOYSA-N 0 0 319.792 3.197 20 10 DGCDRN O=C(C[C@H]1CCC2(CCC2)O1)NCc1cccc(Cl)c1O ZINC000890762457 617657783 /nfs/dbraw/zinc/65/77/83/617657783.db2.gz DBKVLZLURFGOCB-GFCCVEGCSA-N 0 0 309.793 3.154 20 10 DGCDRN C/C(=C/C(=O)NCc1cc(Br)ccc1O)C1CC1 ZINC000804735696 617662002 /nfs/dbraw/zinc/66/20/02/617662002.db2.gz DHVPLQVIZUTZMK-TWGQIWQCSA-N 0 0 310.191 3.127 20 10 DGCDRN O=C(NCc1cc(Br)ccc1O)C1=CCCCC1 ZINC000804735749 617662151 /nfs/dbraw/zinc/66/21/51/617662151.db2.gz IMVGQEDHEZOVAH-UHFFFAOYSA-N 0 0 310.191 3.271 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H]1COCCO1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806132378 617668149 /nfs/dbraw/zinc/66/81/49/617668149.db2.gz VPHMFWBEJMKFCI-GXFFZTMASA-N 0 0 320.216 3.155 20 10 DGCDRN CCc1cccc(NC(=S)NNc2ccccc2[N+](=O)[O-])c1 ZINC000007351008 617669133 /nfs/dbraw/zinc/66/91/33/617669133.db2.gz RAUWMFLWEOMPJW-UHFFFAOYSA-N 0 0 316.386 3.471 20 10 DGCDRN O=[N+]([O-])c1ccc(NCc2cc(Br)ccc2O)cn1 ZINC000804827038 617678829 /nfs/dbraw/zinc/67/88/29/617678829.db2.gz JYQZUVWBFCQFSH-UHFFFAOYSA-N 0 0 324.134 3.070 20 10 DGCDRN Oc1ccc(Br)cc1CNc1cncc(Cl)n1 ZINC000804826835 617679393 /nfs/dbraw/zinc/67/93/93/617679393.db2.gz HETWZVXSYFJJJX-UHFFFAOYSA-N 0 0 314.570 3.210 20 10 DGCDRN CCOCc1nc(Cl)cc(NCc2ccc(N(C)C)cc2)n1 ZINC000891578349 617842287 /nfs/dbraw/zinc/84/22/87/617842287.db2.gz LBYJYXJEXIGSRO-UHFFFAOYSA-N 0 0 320.824 3.345 20 10 DGCDRN Clc1cnc(Sc2ncnc3c2ncn3C2CC2)s1 ZINC000853964372 620757688 /nfs/dbraw/zinc/75/76/88/620757688.db2.gz KYRKRXXIVHTVJC-UHFFFAOYSA-N 0 0 309.807 3.422 20 10 DGCDRN CCOC(=O)c1cnc(Sc2ncc(Cl)s2)nc1C ZINC000853964021 620757883 /nfs/dbraw/zinc/75/78/83/620757883.db2.gz FYSONDRPCAAQBS-UHFFFAOYSA-N 0 0 315.807 3.223 20 10 DGCDRN FC(F)Oc1ccc(NCc2ccc(N3CCCC3)cc2)nn1 ZINC000891797869 617901030 /nfs/dbraw/zinc/90/10/30/617901030.db2.gz ZCJUEUORQFTYCB-UHFFFAOYSA-N 0 0 320.343 3.290 20 10 DGCDRN COCCC1(C[NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000151173828 617939157 /nfs/dbraw/zinc/93/91/57/617939157.db2.gz JSHZNAPXVDAZJM-UHFFFAOYSA-N 0 0 314.223 3.061 20 10 DGCDRN CSCC(C)(C)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000892003423 617943321 /nfs/dbraw/zinc/94/33/21/617943321.db2.gz APBLKOYTGVVBRS-UHFFFAOYSA-N 0 0 321.490 3.228 20 10 DGCDRN Nc1ccc(CCNC(=O)NCC2CCC3(CC3)CC2)cc1 ZINC000892039799 617949595 /nfs/dbraw/zinc/94/95/95/617949595.db2.gz ZHNTZSAITRUUIS-UHFFFAOYSA-N 0 0 301.434 3.081 20 10 DGCDRN CCc1nc(CN(C)Cc2ccc(N(CC)CC)cc2)no1 ZINC000919770298 620765158 /nfs/dbraw/zinc/76/51/58/620765158.db2.gz QTSMJTCRWUUDKE-UHFFFAOYSA-N 0 0 302.422 3.110 20 10 DGCDRN CC(=O)c1c(F)cncc1NCc1ccc(N(C)C)c(F)c1 ZINC000892131942 617970791 /nfs/dbraw/zinc/97/07/91/617970791.db2.gz RYHQPLKAFXBQEI-UHFFFAOYSA-N 0 0 305.328 3.241 20 10 DGCDRN COc1ccc(C)cc1NCc1ccc(OC)c(OC)c1O ZINC000892315911 618018256 /nfs/dbraw/zinc/01/82/56/618018256.db2.gz RCMYJUCUJBVAIH-UHFFFAOYSA-N 0 0 303.358 3.339 20 10 DGCDRN C[C@@H]1CCC[C@@H](CNC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000919896654 620770965 /nfs/dbraw/zinc/77/09/65/620770965.db2.gz HODOCISTJIETSR-GDBMZVCRSA-N 0 0 303.450 3.378 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(F)(F)C(F)F ZINC000840556391 618033680 /nfs/dbraw/zinc/03/36/80/618033680.db2.gz LJJGEFRPOOYAAG-JTQLQIEISA-N 0 0 320.330 3.009 20 10 DGCDRN Cc1ccc([C@H](C)NCc2nccc(C(F)(F)F)n2)c(O)c1 ZINC000840870193 618042659 /nfs/dbraw/zinc/04/26/59/618042659.db2.gz VJWFZZURGQUMLU-JTQLQIEISA-N 0 0 311.307 3.360 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=S)NC(C)(C)C ZINC000840870661 618043599 /nfs/dbraw/zinc/04/35/99/618043599.db2.gz TWBGYACUFQSNCV-ZDUSSCGKSA-N 0 0 307.507 3.255 20 10 DGCDRN COc1cccc(CNC(=O)Nc2cc(C)cc(F)c2)c1O ZINC000152840387 618083933 /nfs/dbraw/zinc/08/39/33/618083933.db2.gz QNKBMAJCDYPPGY-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN Cc1cc(CCNC(=O)N2CC[C@H]2C)c(C)n1-c1ccccc1 ZINC000920041524 620777529 /nfs/dbraw/zinc/77/75/29/620777529.db2.gz BSQZFVZOMGNWET-CQSZACIVSA-N 0 0 311.429 3.440 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]C[C@H](C(=O)[O-])C2CCC2)cc1F ZINC000854245846 620787653 /nfs/dbraw/zinc/78/76/53/620787653.db2.gz FHCZDBRSZMIDOX-HNNXBMFYSA-N 0 0 322.424 3.262 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000854227205 620786591 /nfs/dbraw/zinc/78/65/91/620786591.db2.gz UIGSXWLWWPLQDF-MGPLVRAMSA-N 0 0 313.357 3.221 20 10 DGCDRN C[NH2+]C[C@@H](C)N[C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000854232447 620787058 /nfs/dbraw/zinc/78/70/58/620787058.db2.gz QDEZLMZXQQHKJK-HTQZYQBOSA-N 0 0 321.646 3.067 20 10 DGCDRN C[C@H](CNC(=O)NCc1cc(Cl)ccc1O)c1ccccn1 ZINC000854258672 620789455 /nfs/dbraw/zinc/78/94/55/620789455.db2.gz QNDNKTBKFKAZMO-LLVKDONJSA-N 0 0 319.792 3.044 20 10 DGCDRN CCCN(C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C(C)C ZINC000854297140 620792584 /nfs/dbraw/zinc/79/25/84/620792584.db2.gz NCNUUYPHJHKKSG-HNNXBMFYSA-N 0 0 319.449 3.104 20 10 DGCDRN CC(C)C[C@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)CC(=O)[O-] ZINC000854244846 620787821 /nfs/dbraw/zinc/78/78/21/620787821.db2.gz VSEUNEGUGCIGNE-OSJSJHBBSA-N 0 0 318.461 3.492 20 10 DGCDRN COc1ccc(CN2CCc3cccc(F)c32)c(O)c1OC ZINC000894497536 618355753 /nfs/dbraw/zinc/35/57/53/618355753.db2.gz ZUUMVKKHQNRNQC-UHFFFAOYSA-N 0 0 303.333 3.111 20 10 DGCDRN COc1cc(C)cc(CN[C@@H](C)c2nc(C(C)(C)C)no2)c1O ZINC000894541328 618377049 /nfs/dbraw/zinc/37/70/49/618377049.db2.gz BUQUVTFBEVVWCH-NSHDSACASA-N 0 0 319.405 3.241 20 10 DGCDRN C[C@@H](CNC(=O)NCc1c(O)cccc1F)Cc1cccs1 ZINC000920444136 620800947 /nfs/dbraw/zinc/80/09/47/620800947.db2.gz WLLSJIMOKFFLRF-LLVKDONJSA-N 0 0 322.405 3.271 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000894793796 618462350 /nfs/dbraw/zinc/46/23/50/618462350.db2.gz IWQQSMGBEFODSE-GOEBONIOSA-N 0 0 309.356 3.204 20 10 DGCDRN CS[C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894881254 618486172 /nfs/dbraw/zinc/48/61/72/618486172.db2.gz UUHUACSHTXIOPN-JTQLQIEISA-N 0 0 320.227 3.231 20 10 DGCDRN COC(C)(C)C[C@H](C)NC(=O)NCc1cccc(Cl)c1O ZINC000893251928 618486847 /nfs/dbraw/zinc/48/68/47/618486847.db2.gz UTRHLDRPWQXIPM-JTQLQIEISA-N 0 0 314.813 3.048 20 10 DGCDRN Oc1cc(Br)ccc1CN1CC(C(F)(F)F)C1 ZINC000894890229 618488646 /nfs/dbraw/zinc/48/86/46/618488646.db2.gz FIGGJYKHGGBYDA-UHFFFAOYSA-N 0 0 310.113 3.149 20 10 DGCDRN CS[C@@H]1CC[C@H](NC(=O)NCc2cccc(Cl)c2O)C1 ZINC000893288579 618498174 /nfs/dbraw/zinc/49/81/74/618498174.db2.gz AQTJSCJOSRUEMM-WDEREUQCSA-N 0 0 314.838 3.129 20 10 DGCDRN COC(=O)c1cnc(SC[C@H]2CCCC(C)(C)O2)s1 ZINC000882174234 618543190 /nfs/dbraw/zinc/54/31/90/618543190.db2.gz QDDOBAWGTOJPBP-SECBINFHSA-N 0 0 301.433 3.370 20 10 DGCDRN COc1ccc(N(C)Cc2ccc(OC)c(OC)c2O)cc1 ZINC000895138073 618549628 /nfs/dbraw/zinc/54/96/28/618549628.db2.gz LRLBIHGMJJRWAZ-UHFFFAOYSA-N 0 0 303.358 3.054 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)N[C@@H](C1CC1)C1CCC1 ZINC000895289569 618588591 /nfs/dbraw/zinc/58/85/91/618588591.db2.gz YRUCNGJWOHUDLF-CQSZACIVSA-N 0 0 308.809 3.424 20 10 DGCDRN Cc1ccc(CN(CCO)Cc2c(O)cc(C)cc2Cl)o1 ZINC000840940884 618613641 /nfs/dbraw/zinc/61/36/41/618613641.db2.gz JCWHUFDLPYZZNS-UHFFFAOYSA-N 0 0 309.793 3.250 20 10 DGCDRN COC(=O)[C@@H](NCc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000893602860 618614228 /nfs/dbraw/zinc/61/42/28/618614228.db2.gz LMYDYIWTELXMQN-SFHVURJKSA-N 0 0 311.381 3.016 20 10 DGCDRN Cc1cc(O)c(CN2C[C@@]3(CCCO3)[C@@H]2C2CC2)c(Cl)c1 ZINC000840948962 618620875 /nfs/dbraw/zinc/62/08/75/618620875.db2.gz KEESNJOCOFMNKF-IRXDYDNUSA-N 0 0 307.821 3.497 20 10 DGCDRN O=C(NCCCSc1nccs1)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000893646232 618629778 /nfs/dbraw/zinc/62/97/78/618629778.db2.gz QVHAVGQFJNLZAB-IJLUTSLNSA-N 0 0 311.476 3.113 20 10 DGCDRN COc1ccc(CNc2cnn([C@@H](C)C3CC3)c2)c(O)c1OC ZINC000893701353 618643223 /nfs/dbraw/zinc/64/32/23/618643223.db2.gz YCNCBVSJPZHACB-NSHDSACASA-N 0 0 317.389 3.189 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H](CCO)c1cccs1 ZINC000790971129 618653749 /nfs/dbraw/zinc/65/37/49/618653749.db2.gz QDMGAVXAONZJNL-NSHDSACASA-N 0 0 315.797 3.460 20 10 DGCDRN CCOc1ccccc1N(C)Cc1ccc(OC)c(OC)c1O ZINC000893854495 618666462 /nfs/dbraw/zinc/66/64/62/618666462.db2.gz AOSHZUWLBPZENI-UHFFFAOYSA-N 0 0 317.385 3.445 20 10 DGCDRN COC(=O)[C@H](NCc1ccc2c(c1)CCCO2)c1cccs1 ZINC000893950611 618682421 /nfs/dbraw/zinc/68/24/21/618682421.db2.gz JNYMOQWZGBWZOD-MRXNPFEDSA-N 0 0 317.410 3.077 20 10 DGCDRN COc1cc(C)cc(CN2CCCC[C@@H]2c2noc(C)n2)c1O ZINC000893968881 618684804 /nfs/dbraw/zinc/68/48/04/618684804.db2.gz NAEZECOZJHZNIK-CQSZACIVSA-N 0 0 317.389 3.128 20 10 DGCDRN Cc1ccncc1[C@H](C)NC(=O)NCc1cccc(Cl)c1O ZINC000893971265 618685333 /nfs/dbraw/zinc/68/53/33/618685333.db2.gz LDBMXXDEZBLYFG-NSHDSACASA-N 0 0 319.792 3.309 20 10 DGCDRN COc1cc(C)cc(CNc2cccc([S@](C)=O)c2)c1O ZINC000894120123 618714585 /nfs/dbraw/zinc/71/45/85/618714585.db2.gz KPIBGVFHPYVVAH-NRFANRHFSA-N 0 0 305.399 3.059 20 10 DGCDRN C[C@@H](NC(=O)N1CCCSC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000894284987 618752104 /nfs/dbraw/zinc/75/21/04/618752104.db2.gz IEWXBOMZTMKNBB-UONOGXRCSA-N 0 0 321.490 3.351 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1cncs1 ZINC000894288056 618752881 /nfs/dbraw/zinc/75/28/81/618752881.db2.gz ZSABCRASTBQRSV-NWDGAFQWSA-N 0 0 318.446 3.331 20 10 DGCDRN COc1cc(C)cc(CNc2ccc(C)nc2N(C)C)c1O ZINC000894366912 618772862 /nfs/dbraw/zinc/77/28/62/618772862.db2.gz OLVDFUPPEOXPEQ-UHFFFAOYSA-N 0 0 301.390 3.091 20 10 DGCDRN CN=[S@@](C)(=O)c1cccc(NCc2c(O)cccc2OC)c1 ZINC000895733567 618825524 /nfs/dbraw/zinc/82/55/24/618825524.db2.gz GJTQWXHTKXYBEI-QFIPXVFZSA-N 0 0 320.414 3.099 20 10 DGCDRN CCC1([NH+]2CCC2)CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000895821628 618836221 /nfs/dbraw/zinc/83/62/21/618836221.db2.gz GBUUVQNVYNRXTP-UHFFFAOYSA-N 0 0 310.388 3.121 20 10 DGCDRN CC(C)CCOCCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895940712 618852695 /nfs/dbraw/zinc/85/26/95/618852695.db2.gz XQNWAMPTYKYWFV-UHFFFAOYSA-N 0 0 323.414 3.105 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCOC2(CCC2)C1 ZINC000896057745 618867660 /nfs/dbraw/zinc/86/76/60/618867660.db2.gz NGZZFEQNMNLDJG-HNNXBMFYSA-N 0 0 317.429 3.480 20 10 DGCDRN C[C@H]1SCCN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@@H]1C ZINC000896445194 618914822 /nfs/dbraw/zinc/91/48/22/618914822.db2.gz NSARYWWQCQDQFG-RKDXNWHRSA-N 0 0 323.439 3.279 20 10 DGCDRN CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@H](c3ccn(C)n3)C2)cc1 ZINC000896488567 618917692 /nfs/dbraw/zinc/91/76/92/618917692.db2.gz IDISDKJYVNDMJM-SUZKBHRPSA-N 0 0 324.472 3.379 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000896600400 618933114 /nfs/dbraw/zinc/93/31/14/618933114.db2.gz WZROJKUFRPXFFO-CQSZACIVSA-N 0 0 307.756 3.216 20 10 DGCDRN CCOCOc1ccc(C[NH2+]Cc2c([O-])cccc2F)cc1 ZINC000896638625 618939850 /nfs/dbraw/zinc/93/98/50/618939850.db2.gz WRMKCTFRXMOPHW-UHFFFAOYSA-N 0 0 305.349 3.194 20 10 DGCDRN COC(C)(C)C[C@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896678351 618945207 /nfs/dbraw/zinc/94/52/07/618945207.db2.gz AOEGKKBYSNTEOT-VIFPVBQESA-N 0 0 323.414 3.246 20 10 DGCDRN COc1ccc(CNc2cnn(C3CCCC3)c2)c(O)c1OC ZINC000896696809 618947356 /nfs/dbraw/zinc/94/73/56/618947356.db2.gz NGNOWSPSIQRZHP-UHFFFAOYSA-N 0 0 317.389 3.333 20 10 DGCDRN CSC(C)(C)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896767978 618955782 /nfs/dbraw/zinc/95/57/82/618955782.db2.gz OGFQPNIRWVOQIJ-UHFFFAOYSA-N 0 0 311.428 3.184 20 10 DGCDRN [O-]c1c(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)ccc(F)c1F ZINC000896791785 618959516 /nfs/dbraw/zinc/95/95/16/618959516.db2.gz DUTGPXCVDLLECR-GJZGRUSLSA-N 0 0 316.351 3.134 20 10 DGCDRN CN(C)c1ccc(/C=C\CN2CCn3nc(C4CC4)cc3C2)cc1 ZINC000896938036 618989202 /nfs/dbraw/zinc/98/92/02/618989202.db2.gz GXNCUPSKHRTIHA-ARJAWSKDSA-N 0 0 322.456 3.356 20 10 DGCDRN CC(C)N(CC(F)F)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897064046 619010146 /nfs/dbraw/zinc/01/01/46/619010146.db2.gz JUXKCXWHMMTESO-UHFFFAOYSA-N 0 0 315.341 3.428 20 10 DGCDRN CC(C)[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1cnn(C)c1 ZINC000897080786 619011853 /nfs/dbraw/zinc/01/18/53/619011853.db2.gz CASYXLQYYKXASX-CQSZACIVSA-N 0 0 311.788 3.405 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000897081075 619012398 /nfs/dbraw/zinc/01/23/98/619012398.db2.gz JHTAVQXNUCXNCD-MEDUHNTESA-N 0 0 313.800 3.480 20 10 DGCDRN Cc1ccc(NCC[NH2+]Cc2cc(Cl)cc(F)c2[O-])nc1 ZINC000897182202 619026148 /nfs/dbraw/zinc/02/61/48/619026148.db2.gz WRCIEHJIXQKBDT-UHFFFAOYSA-N 0 0 309.772 3.090 20 10 DGCDRN C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1[N+](=O)[O-] ZINC000897459597 619130332 /nfs/dbraw/zinc/13/03/32/619130332.db2.gz MRBVCNFCQRTUEK-JTQLQIEISA-N 0 0 322.311 3.472 20 10 DGCDRN C[C@@H]([NH2+]CCc1ccc(CO)cc1)c1ccc(Cl)cc1[O-] ZINC000841751915 619149815 /nfs/dbraw/zinc/14/98/15/619149815.db2.gz OLVBGVNBQNBDBM-GFCCVEGCSA-N 0 0 305.805 3.431 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000841758435 619163809 /nfs/dbraw/zinc/16/38/09/619163809.db2.gz MBQQTQOOSGNIBJ-TZMCWYRMSA-N 0 0 305.805 3.472 20 10 DGCDRN CCNc1ccc(C)cc1C(=O)NCc1ccc(OC)cc1O ZINC000897630368 619169208 /nfs/dbraw/zinc/16/92/08/619169208.db2.gz ZDCDPRMQEQQHKZ-UHFFFAOYSA-N 0 0 314.385 3.071 20 10 DGCDRN CC1(C)C[C@H](NC(=O)N2Cc3cccc(O)c3C2)CCS1 ZINC000897854262 619189040 /nfs/dbraw/zinc/18/90/40/619189040.db2.gz CRJVNCQWLLSHFU-GFCCVEGCSA-N 0 0 306.431 3.092 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1ccc(CCO)cc1 ZINC000898171579 619220387 /nfs/dbraw/zinc/22/03/87/619220387.db2.gz XQEKJUVHRMKQKP-UHFFFAOYSA-N 0 0 309.768 3.009 20 10 DGCDRN CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])[C@H]1SC ZINC000898218364 619222244 /nfs/dbraw/zinc/22/22/44/619222244.db2.gz FRVGGUCVOCTVMH-OUCADQQQSA-N 0 0 301.839 3.044 20 10 DGCDRN CCOC(=O)c1cc(C[NH2+]Cc2cccc(Cl)c2[O-])[nH]c1C ZINC000898218517 619222289 /nfs/dbraw/zinc/22/22/89/619222289.db2.gz JCGQLGBZLOXXIW-UHFFFAOYSA-N 0 0 322.792 3.149 20 10 DGCDRN CCOc1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])c(O)c1 ZINC000898219473 619222910 /nfs/dbraw/zinc/22/29/10/619222910.db2.gz HMAPRNBBVKYKLF-UHFFFAOYSA-N 0 0 307.777 3.440 20 10 DGCDRN C[C@H](NC(=O)NCc1nc(C(C)(C)C)co1)c1ccccc1O ZINC000898234844 619226827 /nfs/dbraw/zinc/22/68/27/619226827.db2.gz REHKVFLGRWBFBS-NSHDSACASA-N 0 0 317.389 3.238 20 10 DGCDRN O=C(N[C@]12C[C@H]1CCCC2)c1cc2cc(O)c(O)cc2s1 ZINC000899163432 619315710 /nfs/dbraw/zinc/31/57/10/619315710.db2.gz HHYPRABTXNKTQL-QLJPJBMISA-N 0 0 303.383 3.375 20 10 DGCDRN CC1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC(F)(F)C1 ZINC000899199452 619318083 /nfs/dbraw/zinc/31/80/83/619318083.db2.gz JDEGOGOYLXGJGT-UHFFFAOYSA-N 0 0 310.304 3.014 20 10 DGCDRN CCN1C(=O)/C(=C/c2ccc(C(=O)OC)c(C)c2)SC1=S ZINC000899333693 619326523 /nfs/dbraw/zinc/32/65/23/619326523.db2.gz RUIYBYSLHPPYLH-WQLSENKSSA-N 0 0 321.423 3.003 20 10 DGCDRN C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CCS1 ZINC000927260811 619417634 /nfs/dbraw/zinc/41/76/34/619417634.db2.gz NPEMXRJFBLLABR-ZFWWWQNUSA-N 0 0 321.490 3.178 20 10 DGCDRN O=C(NCc1c(O)cccc1F)N[C@H]1CCSC2(CCC2)C1 ZINC000927285617 619523883 /nfs/dbraw/zinc/52/38/83/619523883.db2.gz KJELPCHYYOPFGR-NSHDSACASA-N 0 0 324.421 3.149 20 10 DGCDRN CN(C)c1ccc(OC[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cc1 ZINC000902358382 619626832 /nfs/dbraw/zinc/62/68/32/619626832.db2.gz IJBKXIMNTVBOJY-OAHLLOKOSA-N 0 0 318.461 3.416 20 10 DGCDRN Cc1noc(C(C)C)c1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000902954190 619697003 /nfs/dbraw/zinc/69/70/03/619697003.db2.gz SFYMJJYGGWCYCO-UHFFFAOYSA-N 0 0 316.405 3.494 20 10 DGCDRN C[C@@H]([NH2+]C[C@](C)(O)c1cccc(F)c1)c1ccc(F)cc1[O-] ZINC000903307756 619756774 /nfs/dbraw/zinc/75/67/74/619756774.db2.gz FANQGEYSOALKET-DIFFPNOSSA-N 0 0 307.340 3.229 20 10 DGCDRN C[C@H]([NH2+]C[C@](C)(O)c1cccc(F)c1)c1c([O-])cccc1F ZINC000903310563 619757443 /nfs/dbraw/zinc/75/74/43/619757443.db2.gz ZJHORLBYZAUXGK-GTNSWQLSSA-N 0 0 307.340 3.229 20 10 DGCDRN C[C@@H]([NH2+]CC[C@@H](O)C1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000903408851 619772125 /nfs/dbraw/zinc/77/21/25/619772125.db2.gz URFYHRVUKCIGKJ-NOZJJQNGSA-N 0 0 303.324 3.223 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(CCO)cc1)c1ccc(Cl)cc1O ZINC000903402668 619773736 /nfs/dbraw/zinc/77/37/36/619773736.db2.gz FMNNCKURXHDZQM-LBPRGKRZSA-N 0 0 305.805 3.431 20 10 DGCDRN CCOc1ccc(CCN(C)C(=O)Nc2ccc(N)cc2)cc1 ZINC000904499670 619927513 /nfs/dbraw/zinc/92/75/13/619927513.db2.gz HJUGPZAQZJGWSH-UHFFFAOYSA-N 0 0 313.401 3.374 20 10 DGCDRN O=C1/C(=C/c2nccc3c2CCCC3)SC(=S)N1C1CC1 ZINC000905001000 619964129 /nfs/dbraw/zinc/96/41/29/619964129.db2.gz CCLHIANHLNPVER-ZROIWOOFSA-N 0 0 316.451 3.324 20 10 DGCDRN CC(C)COc1ccccc1NC[C@H](O)CC1(CO)CCCC1 ZINC000905308689 619989119 /nfs/dbraw/zinc/98/91/19/619989119.db2.gz PHDHQNJQMTXWNL-MRXNPFEDSA-N 0 0 321.461 3.437 20 10 DGCDRN Oc1cccc(F)c1CNC(=S)NCCCCC(F)(F)F ZINC000905662134 620014901 /nfs/dbraw/zinc/01/49/01/620014901.db2.gz SLJXFAHHXPJVPZ-UHFFFAOYSA-N 0 0 324.343 3.228 20 10 DGCDRN CC(C)(C)Cc1ncc(C(=O)NCc2ccc(N)cc2)s1 ZINC000906627340 620111775 /nfs/dbraw/zinc/11/17/75/620111775.db2.gz MNMGEKRMGYHFRK-UHFFFAOYSA-N 0 0 303.431 3.244 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC(C)(C)CC(F)F ZINC000907275001 620146445 /nfs/dbraw/zinc/14/64/45/620146445.db2.gz UPADKDCQLIXQKN-SNVBAGLBSA-N 0 0 315.360 3.217 20 10 DGCDRN O=C(OC[C@@H]1CCC[C@@H](C(F)(F)F)O1)C1=CC(=O)CS1 ZINC000909004825 620234887 /nfs/dbraw/zinc/23/48/87/620234887.db2.gz YQAVRUQBCBLBIR-WPRPVWTQSA-N 0 0 310.293 3.111 20 10 DGCDRN CCc1csc([C@@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)n1 ZINC000910729126 620307242 /nfs/dbraw/zinc/30/72/42/620307242.db2.gz IZUJXDMLGOHQKW-ONRRBMGISA-N 0 0 318.398 3.007 20 10 DGCDRN Cc1cc(CCCC(=O)NCc2ccc(O)cc2O)c(C)s1 ZINC000910951316 620318470 /nfs/dbraw/zinc/31/84/70/620318470.db2.gz RSNXBGIOBCMBCV-UHFFFAOYSA-N 0 0 319.426 3.415 20 10 DGCDRN CCCc1cc(C(=O)NCc2ccc(O)cc2O)sc1C ZINC000910957105 620318968 /nfs/dbraw/zinc/31/89/68/620318968.db2.gz JBTYFKRLENGFDZ-UHFFFAOYSA-N 0 0 305.399 3.350 20 10 DGCDRN Cc1cccnc1[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000911762182 620345245 /nfs/dbraw/zinc/34/52/45/620345245.db2.gz WTDCZUGZMACURX-CQSZACIVSA-N 0 0 312.417 3.016 20 10 DGCDRN CCCCSCCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000151038358 620418899 /nfs/dbraw/zinc/41/88/99/620418899.db2.gz WMJSAWLHWPIFLS-UHFFFAOYSA-N 0 0 312.454 3.431 20 10 DGCDRN CC(=O)Nc1cccc(NC(=S)NNc2ccccc2C)c1 ZINC000913139677 620424295 /nfs/dbraw/zinc/42/42/95/620424295.db2.gz VHESXPDCOBJDGG-UHFFFAOYSA-N 0 0 314.414 3.267 20 10 DGCDRN CCC[C@H](C)S(=O)(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000757744669 620459366 /nfs/dbraw/zinc/45/93/66/620459366.db2.gz MUZQPDVDGCHZIM-AWEZNQCLSA-N 0 0 312.479 3.093 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000151796565 620474295 /nfs/dbraw/zinc/47/42/95/620474295.db2.gz YFXCVTNTIHEATL-DLBZAZTESA-N 0 0 324.424 3.069 20 10 DGCDRN O=C(NCc1c(O)cccc1F)N[C@@H](c1ccccc1)C1CC1 ZINC000913972936 620497174 /nfs/dbraw/zinc/49/71/74/620497174.db2.gz FDXLHKFCVOHOSI-KRWDZBQOSA-N 0 0 314.360 3.482 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC[C@H]2C)cc1 ZINC000914165785 620510702 /nfs/dbraw/zinc/51/07/02/620510702.db2.gz ODEMCUFCLPVGQG-CYBMUJFWSA-N 0 0 310.397 3.070 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N(C)Cc2ccccc2F)cc1 ZINC000031726269 620528369 /nfs/dbraw/zinc/52/83/69/620528369.db2.gz JENPEJUBEIECRX-UHFFFAOYSA-N 0 0 315.392 3.233 20 10 DGCDRN CCCCN(CCO)C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000914534099 620541050 /nfs/dbraw/zinc/54/10/50/620541050.db2.gz HBGNLZDXPQTXKT-UHFFFAOYSA-N 0 0 314.429 3.329 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)CC[C@@H]2CCCO2)cc1 ZINC000914719891 620550414 /nfs/dbraw/zinc/55/04/14/620550414.db2.gz MSNFFTPXRCPGLR-SFHVURJKSA-N 0 0 318.461 3.450 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)C[C@@H]2CCCO2)cc1 ZINC000915615365 620591255 /nfs/dbraw/zinc/59/12/55/620591255.db2.gz IITAZYNGTXBTSD-KRWDZBQOSA-N 0 0 304.434 3.060 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)COC2CCCCC2)cc1 ZINC000916504820 620632051 /nfs/dbraw/zinc/63/20/51/620632051.db2.gz DVKWBHFEJHPELF-UHFFFAOYSA-N 0 0 318.461 3.498 20 10 DGCDRN CC[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)C1CC1 ZINC000852595536 620632954 /nfs/dbraw/zinc/63/29/54/620632954.db2.gz IBLVEPJVBZVXDJ-MRXNPFEDSA-N 0 0 301.434 3.057 20 10 DGCDRN C[C@H](Cc1ccc(F)cc1)C(=O)N(C)Cc1ccccc1O ZINC000921076529 620835877 /nfs/dbraw/zinc/83/58/77/620835877.db2.gz ZHQYXJUBJCWAOD-CYBMUJFWSA-N 0 0 301.361 3.369 20 10 DGCDRN C[C@@H]1CCCC[C@H]1OCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000112803349 620855809 /nfs/dbraw/zinc/85/58/09/620855809.db2.gz RJAIEJIGUGKRSH-CXAGYDPISA-N 0 0 322.424 3.103 20 10 DGCDRN CCCCCNC(=O)CSc1ncc(-c2ccccc2)n1C ZINC000010088882 620881445 /nfs/dbraw/zinc/88/14/45/620881445.db2.gz HBPVENOHANOAQS-UHFFFAOYSA-N 0 0 317.458 3.486 20 10 DGCDRN CCCC[C@](C)(F)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855226886 620881678 /nfs/dbraw/zinc/88/16/78/620881678.db2.gz VGFFYITWQZKOCE-KDOFPFPSSA-N 0 0 322.424 3.309 20 10 DGCDRN CC[C@H](C)[C@@H](C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855224171 620881736 /nfs/dbraw/zinc/88/17/36/620881736.db2.gz FHLYIXRCSWOJAI-RRFJBIMHSA-N 0 0 304.434 3.072 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)/C=C\C3CCCC3)C2)cc1 ZINC000855226761 620881779 /nfs/dbraw/zinc/88/17/79/620881779.db2.gz UBHBACCCMREKQM-BCTQVIJGSA-N 0 0 314.429 3.137 20 10 DGCDRN CC[C@H](CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C(C)C ZINC000855228851 620882306 /nfs/dbraw/zinc/88/23/06/620882306.db2.gz FJCKYHYECBOXCW-CVEARBPZSA-N 0 0 318.461 3.462 20 10 DGCDRN CCC/C(C)=C\C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855228899 620882366 /nfs/dbraw/zinc/88/23/66/620882366.db2.gz FVHAEMWPLWZTGF-IKESIWSLSA-N 0 0 302.418 3.137 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)C(C)=C3CCCC3)C2)cc1 ZINC000855234342 620882834 /nfs/dbraw/zinc/88/28/34/620882834.db2.gz XNMLXVFPZJKCQE-MRXNPFEDSA-N 0 0 314.429 3.281 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H](CO)c1ccsc1 ZINC000770668162 620890988 /nfs/dbraw/zinc/89/09/88/620890988.db2.gz KLLNJAWBLGKZHS-GFCCVEGCSA-N 0 0 301.770 3.069 20 10 DGCDRN O=C(c1cccc(O)c1O)N(Cc1ccccc1F)CC1CC1 ZINC000855882075 620945944 /nfs/dbraw/zinc/94/59/44/620945944.db2.gz KCWSFBLLRSTTBR-UHFFFAOYSA-N 0 0 315.344 3.289 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C=C\c1cnc(C)s1)CCC2 ZINC000856077437 620958554 /nfs/dbraw/zinc/95/85/54/620958554.db2.gz VKLOUKSBIGBYPJ-FPLPWBNLSA-N 0 0 314.410 3.453 20 10 DGCDRN CCC(CC)CC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856212969 620972729 /nfs/dbraw/zinc/97/27/29/620972729.db2.gz YOJCVUBSFNDJCS-UHFFFAOYSA-N 0 0 318.461 3.090 20 10 DGCDRN Cc1ccc(C(=O)N2CC3CC2(c2ccccc2)C3)c(O)c1O ZINC000856439976 620994655 /nfs/dbraw/zinc/99/46/55/620994655.db2.gz HJZDNUHNBSTUOR-UHFFFAOYSA-N 0 0 309.365 3.168 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2ccc(CSC)cc2)c1 ZINC000114540776 621009227 /nfs/dbraw/zinc/00/92/27/621009227.db2.gz FDZPWDOQGYVYJU-UHFFFAOYSA-N 0 0 317.410 3.194 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)c1 ZINC000114599545 621016736 /nfs/dbraw/zinc/01/67/36/621016736.db2.gz PAMLVYSFKQWLRC-LALPHHSUSA-N 0 0 306.406 3.025 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccnc(F)c1F ZINC000856915741 621033723 /nfs/dbraw/zinc/03/37/23/621033723.db2.gz HJLVVNBIOBURLR-UHFFFAOYSA-N 0 0 320.343 3.056 20 10 DGCDRN c1cc2c(cc1CNCc1nc3c(s1)CCC3)CCCO2 ZINC000922473871 621043019 /nfs/dbraw/zinc/04/30/19/621043019.db2.gz ZNJZMKYJGBOQAY-UHFFFAOYSA-N 0 0 300.427 3.247 20 10 DGCDRN CCOc1cncc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000857046732 621050363 /nfs/dbraw/zinc/05/03/63/621050363.db2.gz PUABBOPFFQVRQW-LBPRGKRZSA-N 0 0 302.374 3.045 20 10 DGCDRN CC(C)(C)c1nc(COC(=O)/C=C/c2ccc(O)c(O)c2)co1 ZINC000922546146 621052711 /nfs/dbraw/zinc/05/27/11/621052711.db2.gz YTNCHNGQGYQOGY-FNORWQNLSA-N 0 0 317.341 3.140 20 10 DGCDRN [NH3+][C@]12CCC[C@@H]1CN(Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC000857226192 621071591 /nfs/dbraw/zinc/07/15/91/621071591.db2.gz HEZVXNRECLIZAQ-YGRLFVJLSA-N 0 0 301.217 3.012 20 10 DGCDRN COCC1(C(=O)NCc2cc(Cl)ccc2O)CCCCC1 ZINC000857297778 621077708 /nfs/dbraw/zinc/07/77/08/621077708.db2.gz OGOSCOLVXBKPDE-UHFFFAOYSA-N 0 0 311.809 3.259 20 10 DGCDRN [O-]c1c(Br)cccc1C[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000922732429 621092487 /nfs/dbraw/zinc/09/24/87/621092487.db2.gz QFNBOWNHOUVMSM-DTWKUNHWSA-N 0 0 324.140 3.443 20 10 DGCDRN CC[C@H](OC1CCCC1)C(=O)NCc1ccc(N(C)C)cc1C ZINC000115280546 621094658 /nfs/dbraw/zinc/09/46/58/621094658.db2.gz PFUFIXFKJZBEQH-SFHVURJKSA-N 0 0 318.461 3.415 20 10 DGCDRN O=C(CCc1ccccc1O)NCc1cc(Cl)ccc1O ZINC000857547629 621094837 /nfs/dbraw/zinc/09/48/37/621094837.db2.gz NDNVLVFDSUHDRE-UHFFFAOYSA-N 0 0 305.761 3.000 20 10 DGCDRN CC(C)Nc1ncccc1C(=O)NCc1cc(Cl)ccc1O ZINC000857547908 621095306 /nfs/dbraw/zinc/09/53/06/621095306.db2.gz ZZMDNWUJWSMTPJ-UHFFFAOYSA-N 0 0 319.792 3.191 20 10 DGCDRN Cc1ccc(C(=O)NCc2cc(Cl)ccc2O)c(O)c1C ZINC000857548830 621095487 /nfs/dbraw/zinc/09/54/87/621095487.db2.gz WIJQNMAJBNHOQU-UHFFFAOYSA-N 0 0 305.761 3.298 20 10 DGCDRN C[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1cc(F)cc(F)c1[O-] ZINC000756477296 621126105 /nfs/dbraw/zinc/12/61/05/621126105.db2.gz XDSFEVWLQLDOCG-VFZGTOFNSA-N 0 0 311.303 3.194 20 10 DGCDRN C[C@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCOc2ccccc21 ZINC000923024841 621148201 /nfs/dbraw/zinc/14/82/01/621148201.db2.gz INWYZOHBGWGXCH-KRWDZBQOSA-N 0 0 314.341 3.088 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1Cc2ccccc21 ZINC000115807408 621148933 /nfs/dbraw/zinc/14/89/33/621148933.db2.gz DMRIWLFXIUZBKJ-QGZVFWFLSA-N 0 0 323.440 3.200 20 10 DGCDRN CN(C(=O)C1=CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000858094661 621152009 /nfs/dbraw/zinc/15/20/09/621152009.db2.gz HPPGSYCITPHRKX-CQSZACIVSA-N 0 0 316.401 3.263 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H](C)CCc2ccco2)c1 ZINC000858103471 621153148 /nfs/dbraw/zinc/15/31/48/621153148.db2.gz UWHPLDCSUNGZLT-CYBMUJFWSA-N 0 0 302.374 3.114 20 10 DGCDRN CN(C)c1cc(F)c(CNCc2cn3ccsc3n2)cc1F ZINC000858110188 621154049 /nfs/dbraw/zinc/15/40/49/621154049.db2.gz LWGPTJBHMJAENA-UHFFFAOYSA-N 0 0 322.384 3.030 20 10 DGCDRN COCC[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1ccco1 ZINC000858157365 621159658 /nfs/dbraw/zinc/15/96/58/621159658.db2.gz FGASIMJHARXTAF-OAHLLOKOSA-N 0 0 324.371 3.491 20 10 DGCDRN CC[C@@H](C)C(=O)NCc1cc(NC(=O)[C@H](C)CC)ccc1O ZINC000923125292 621160148 /nfs/dbraw/zinc/16/01/48/621160148.db2.gz BWLMCKOAKLBOTJ-VXGBXAGGSA-N 0 0 306.406 3.039 20 10 DGCDRN CN(C)c1cc(F)c(CNc2cn(C)nc2C2CC2)cc1F ZINC000858166454 621160690 /nfs/dbraw/zinc/16/06/90/621160690.db2.gz NUJNTWTWJJGGHV-UHFFFAOYSA-N 0 0 306.360 3.254 20 10 DGCDRN CCn1ccnc1[C@@H](C)NCc1cc(F)c(N(C)C)cc1F ZINC000858172211 621161132 /nfs/dbraw/zinc/16/11/32/621161132.db2.gz MYYJUEYWZJFZEI-LLVKDONJSA-N 0 0 308.376 3.098 20 10 DGCDRN CCCC[C@](C)(CO)[NH2+]Cc1c(O)cccc1Br ZINC000858182559 621161937 /nfs/dbraw/zinc/16/19/37/621161937.db2.gz YNTFWGLWTFIBGV-CQSZACIVSA-N 0 0 316.239 3.186 20 10 DGCDRN CC[C@H](C)C[C@H](CO)[NH2+]Cc1c(O)cccc1Br ZINC000858182575 621162186 /nfs/dbraw/zinc/16/21/86/621162186.db2.gz ZCQLCTUCPLVORS-WDEREUQCSA-N 0 0 316.239 3.041 20 10 DGCDRN CCc1nc([C@H](C)NC(=O)NCc2cc(C)ccc2O)cs1 ZINC000858210894 621165215 /nfs/dbraw/zinc/16/52/15/621165215.db2.gz GTTMFRCRPDQDBS-NSHDSACASA-N 0 0 319.430 3.280 20 10 DGCDRN Cc1ccc(CC[C@H](C)NC(=O)NCc2cc(C)ccc2O)o1 ZINC000858255033 621169270 /nfs/dbraw/zinc/16/92/70/621169270.db2.gz OOJXWWJJYRNSHZ-ZDUSSCGKSA-N 0 0 316.401 3.423 20 10 DGCDRN CCC(CC)(CNC(=O)NCc1cc(C)ccc1O)SC ZINC000858258373 621169474 /nfs/dbraw/zinc/16/94/74/621169474.db2.gz GESWNLSFHHBBLW-UHFFFAOYSA-N 0 0 310.463 3.422 20 10 DGCDRN COCCOCc1ccc(NCc2cccc(OC)c2O)cc1 ZINC000858297017 621172921 /nfs/dbraw/zinc/17/29/21/621172921.db2.gz BNLGDCMZZLWNOS-UHFFFAOYSA-N 0 0 317.385 3.176 20 10 DGCDRN Cc1csc([C@H](C)CNC(=O)NCc2cc(C)ccc2O)n1 ZINC000858358341 621180367 /nfs/dbraw/zinc/18/03/67/621180367.db2.gz JIYCKIZVBFOEEI-LLVKDONJSA-N 0 0 319.430 3.068 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H](C)c1ccns1)c1ccc(N(C)C)cc1 ZINC000858369793 621181931 /nfs/dbraw/zinc/18/19/31/621181931.db2.gz XWWBFNSPLMSTGX-NEPJUHHUSA-N 0 0 318.446 3.331 20 10 DGCDRN C[C@@H](CC(=O)NCc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC000858453634 621192858 /nfs/dbraw/zinc/19/28/58/621192858.db2.gz XWEABDCLMJTIOA-LBPRGKRZSA-N 0 0 314.351 3.492 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC(C2CCC2)C2CCC2)c1 ZINC000858452919 621192973 /nfs/dbraw/zinc/19/29/73/621192973.db2.gz PNNJSEVCXZETIJ-UHFFFAOYSA-N 0 0 302.418 3.469 20 10 DGCDRN CCC[C@@H](OCC)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000858451759 621193024 /nfs/dbraw/zinc/19/30/24/621193024.db2.gz ANWALCMIZROIRH-QGZVFWFLSA-N 0 0 304.434 3.108 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1cc(F)cc(F)c1[O-] ZINC000858479076 621196209 /nfs/dbraw/zinc/19/62/09/621196209.db2.gz IFBSTKXROTUVLQ-MWLCHTKSSA-N 0 0 320.330 3.051 20 10 DGCDRN Cc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])nc1C ZINC000840783594 621198992 /nfs/dbraw/zinc/19/89/92/621198992.db2.gz LJLRQZUZLBZWCF-LBPRGKRZSA-N 0 0 301.346 3.163 20 10 DGCDRN CC(C)[C@](C)(O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788591882 621201636 /nfs/dbraw/zinc/20/16/36/621201636.db2.gz JHRBZVMKKYTZGJ-IINYFYTJSA-N 0 0 305.340 3.469 20 10 DGCDRN CC[C@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1ccc(F)cc1[O-] ZINC000858541095 621203334 /nfs/dbraw/zinc/20/33/34/621203334.db2.gz RWOFXKJWFVQVFF-HNNXBMFYSA-N 0 0 322.424 3.221 20 10 DGCDRN CO[C@H](CNC(=O)NCc1cc(C)ccc1O)C1CCCCC1 ZINC000858623577 621210888 /nfs/dbraw/zinc/21/08/88/621210888.db2.gz WJYXRSLAEKZBAY-QGZVFWFLSA-N 0 0 320.433 3.095 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000858658561 621212517 /nfs/dbraw/zinc/21/25/17/621212517.db2.gz PGGKQWMMLLUGCY-ZACQAIPSSA-N 0 0 315.461 3.330 20 10 DGCDRN CC[C@@H]1C[C@H]1CNC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000838665002 621270974 /nfs/dbraw/zinc/27/09/74/621270974.db2.gz GRKBGJAAJJCKBR-CVEARBPZSA-N 0 0 303.450 3.330 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCc1cnc(CC)o1 ZINC000838699138 621272168 /nfs/dbraw/zinc/27/21/68/621272168.db2.gz XJUHFWFHJTUKRA-UHFFFAOYSA-N 0 0 317.389 3.064 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000859420461 621276573 /nfs/dbraw/zinc/27/65/73/621276573.db2.gz YDTBFVIMAJNPMU-XUVXKRRUSA-N 0 0 320.436 3.263 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCCC2CC2)cc1 ZINC000859666748 621306440 /nfs/dbraw/zinc/30/64/40/621306440.db2.gz VJRMBCVHJCWMES-UHFFFAOYSA-N 0 0 324.424 3.365 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC[C@@H]2C)cc1 ZINC000859728081 621314877 /nfs/dbraw/zinc/31/48/77/621314877.db2.gz UUSXALCWCWCVLS-AWEZNQCLSA-N 0 0 324.424 3.460 20 10 DGCDRN CCOC(=O)CC(C)(C)CN(C)c1ccc(OC)c(OC)c1 ZINC000839011205 621314968 /nfs/dbraw/zinc/31/49/68/621314968.db2.gz IDTLPWVLJSGXMG-UHFFFAOYSA-N 0 0 309.406 3.119 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1cccc(N)c1C ZINC000859732285 621315097 /nfs/dbraw/zinc/31/50/97/621315097.db2.gz MSYCFKFRTTWQPA-UHFFFAOYSA-N 0 0 312.417 3.273 20 10 DGCDRN CCN(CC)c1ccc(CNCc2nnc(C(C)(C)C)[nH]2)cc1 ZINC000839169777 621342004 /nfs/dbraw/zinc/34/20/04/621342004.db2.gz IWGMTNITRPKRJO-UHFFFAOYSA-N 0 0 315.465 3.238 20 10 DGCDRN CO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(C(C)=O)c2[O-])C12CCC2 ZINC000839189659 621346501 /nfs/dbraw/zinc/34/65/01/621346501.db2.gz BHAKAHVSWZGGGG-LSDHHAIUSA-N 0 0 323.820 3.295 20 10 DGCDRN CCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C1CCC1 ZINC000839193406 621347416 /nfs/dbraw/zinc/34/74/16/621347416.db2.gz YFJFBAUOXWGBGM-CYBMUJFWSA-N 0 0 308.378 3.367 20 10 DGCDRN C/C(=C/C(=O)N1CCCc2c(F)ccc(C)c21)c1cnccn1 ZINC000839282565 621354473 /nfs/dbraw/zinc/35/44/73/621354473.db2.gz LPNLLSXDHFMGGP-RAXLEYEMSA-N 0 0 311.360 3.307 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ocnc1C(F)F ZINC000860049071 621358652 /nfs/dbraw/zinc/35/86/52/621358652.db2.gz QGADNITVDYGUMT-UHFFFAOYSA-N 0 0 310.300 3.370 20 10 DGCDRN Cn1cc(/C=C\C(=O)N2CCCc3ccc(Cl)c(F)c32)cn1 ZINC000839436910 621373938 /nfs/dbraw/zinc/37/39/38/621373938.db2.gz BAHSEXLVELAJAU-DAXSKMNVSA-N 0 0 319.767 3.205 20 10 DGCDRN CC[C@@H]([NH2+]CCOC[C@H]1CCOC1)c1cccc(Cl)c1[O-] ZINC000806139567 621390603 /nfs/dbraw/zinc/39/06/03/621390603.db2.gz PRPWBNZACDWTJE-SWLSCSKDSA-N 0 0 313.825 3.139 20 10 DGCDRN O=C(NCCC1(F)CCC1)NCc1ccc(N2CCCC2)cc1 ZINC000804967404 621391515 /nfs/dbraw/zinc/39/15/15/621391515.db2.gz QTJJWRZCOJCYQR-UHFFFAOYSA-N 0 0 319.424 3.368 20 10 DGCDRN CO[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C1 ZINC000752472516 621394491 /nfs/dbraw/zinc/39/44/91/621394491.db2.gz MHAQKUOPMGOQBR-MRXNPFEDSA-N 0 0 312.413 3.263 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1ccc(-c2ccccc2)o1 ZINC000752599515 621401591 /nfs/dbraw/zinc/40/15/91/621401591.db2.gz HIQGYZGEYZAHCL-UHFFFAOYSA-N 0 0 309.321 3.288 20 10 DGCDRN CCOc1ccc(CN[C@H](C)c2nnc([C@H](C)CC)[nH]2)c(O)c1 ZINC000752923786 621416137 /nfs/dbraw/zinc/41/61/37/621416137.db2.gz GSQOIAUURAILSG-VXGBXAGGSA-N 0 0 318.421 3.273 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)CCc2ccoc2)C2CC2)cc1 ZINC000753194394 621430475 /nfs/dbraw/zinc/43/04/75/621430475.db2.gz IOEFZHRBNDODOC-UHFFFAOYSA-N 0 0 312.413 3.469 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CC(C(C)C)C2)cc1 ZINC000753573330 621449855 /nfs/dbraw/zinc/44/98/55/621449855.db2.gz SRMIPRJLPVAVDW-UHFFFAOYSA-N 0 0 303.450 3.330 20 10 DGCDRN COC(=O)COc1ccc(N(C)Cc2ccc(F)c(C)c2)cc1 ZINC000753592059 621452256 /nfs/dbraw/zinc/45/22/56/621452256.db2.gz QIUPVHQCIPDKOI-UHFFFAOYSA-N 0 0 317.360 3.322 20 10 DGCDRN Cc1ccc(/C=C\C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000754265335 621499688 /nfs/dbraw/zinc/49/96/88/621499688.db2.gz AOWMVVYCWPLMGB-TWGQIWQCSA-N 0 0 323.352 3.291 20 10 DGCDRN Cc1ccc(/C=C\C(=O)N2CCCc3c([N+](=O)[O-])cccc32)cn1 ZINC000754386731 621507969 /nfs/dbraw/zinc/50/79/69/621507969.db2.gz WQCSRDZIWUEQFQ-KTKRTIGZSA-N 0 0 323.352 3.291 20 10 DGCDRN Cc1ccc(/C=C\C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)cn1 ZINC000754415128 621509606 /nfs/dbraw/zinc/50/96/06/621509606.db2.gz BQWIRLCFRFPAOG-WAYWQWQTSA-N 0 0 323.352 3.209 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000754467719 621511982 /nfs/dbraw/zinc/51/19/82/621511982.db2.gz GDNGALSQEXETQD-UHFFFAOYSA-N 0 0 309.337 3.047 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)[C@H]2CCCOC2)c1[O-] ZINC000754566980 621517125 /nfs/dbraw/zinc/51/71/25/621517125.db2.gz NCWLZBDHPMJWMW-PWSUYJOCSA-N 0 0 311.809 3.153 20 10 DGCDRN COc1cc(C)cc(CN2CCc3c2cccc3[N+](=O)[O-])c1O ZINC000754776937 621532275 /nfs/dbraw/zinc/53/22/75/621532275.db2.gz TZTRSQOAUDMPPY-UHFFFAOYSA-N 0 0 314.341 3.180 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2C[C@H](C)[C@@H]2C)cc1 ZINC000861836293 621540180 /nfs/dbraw/zinc/54/01/80/621540180.db2.gz FKUUGJKUECSECB-ZFWWWQNUSA-N 0 0 324.424 3.316 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2C[C@H](C)[C@@H]2C)c1 ZINC000861837162 621540484 /nfs/dbraw/zinc/54/04/84/621540484.db2.gz QSYKWUAQODXPLW-JSGCOSHPSA-N 0 0 310.397 3.387 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@H](F)C1 ZINC000861861139 621541485 /nfs/dbraw/zinc/54/14/85/621541485.db2.gz FGGUFEFIMYNQPQ-HNNXBMFYSA-N 0 0 314.360 3.091 20 10 DGCDRN O=Cc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)cs1 ZINC000754979517 621544261 /nfs/dbraw/zinc/54/42/61/621544261.db2.gz AVEAKSOGSKGBKG-UHFFFAOYSA-N 0 0 314.410 3.091 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)C[C@H]2CCCCO2)cc1 ZINC000755085309 621550914 /nfs/dbraw/zinc/55/09/14/621550914.db2.gz ROOQTOZTUFCPGG-GOSISDBHSA-N 0 0 318.461 3.450 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)c1coc(C2CCC2)n1 ZINC000862026378 621551100 /nfs/dbraw/zinc/55/11/00/621551100.db2.gz MKGBFQBIQIHQGF-UHFFFAOYSA-N 0 0 323.352 3.126 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2C=CCC2)c1 ZINC000862173237 621560087 /nfs/dbraw/zinc/56/00/87/621560087.db2.gz XSZWQXVKYSICHY-KRWDZBQOSA-N 0 0 308.381 3.355 20 10 DGCDRN Cc1cc(CN(C)Cc2c(O)cccc2Br)no1 ZINC000862222771 621563533 /nfs/dbraw/zinc/56/35/33/621563533.db2.gz BCZIBAWZURFYHL-UHFFFAOYSA-N 0 0 311.179 3.083 20 10 DGCDRN Cn1cc(/C=C\C(=O)N2CC(C)(C)Sc3ccccc32)cn1 ZINC000755630030 621581825 /nfs/dbraw/zinc/58/18/25/621581825.db2.gz SHKFWINWJSYXBF-HJWRWDBZSA-N 0 0 313.426 3.351 20 10 DGCDRN C[C@@]1(F)CCCN(Cc2c(O)cccc2Br)C1 ZINC000862382115 621582458 /nfs/dbraw/zinc/58/24/58/621582458.db2.gz PYPSTIQGXTUMHW-CYBMUJFWSA-N 0 0 302.187 3.479 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)C[C@H]2CCO[C@H](C(C)C)C2)c1 ZINC000862756908 621613672 /nfs/dbraw/zinc/61/36/72/621613672.db2.gz AEGIGFLDISBZMS-YOEHRIQHSA-N 0 0 305.418 3.158 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CCC(=O)c3ccccc32)c1 ZINC000862755114 621613683 /nfs/dbraw/zinc/61/36/83/621613683.db2.gz DJTLCUFGVZMEMX-INIZCTEOSA-N 0 0 309.365 3.077 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CC[C@H](C(F)(F)F)C2)c1 ZINC000862756342 621613893 /nfs/dbraw/zinc/61/38/93/621613893.db2.gz WAWFFIXCUVPSOW-JQWIXIFHSA-N 0 0 301.308 3.295 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CCc3cc(C)ccc3O2)c1 ZINC000862756446 621613914 /nfs/dbraw/zinc/61/39/14/621613914.db2.gz YJTWJTHHUNEWCQ-SFHVURJKSA-N 0 0 311.381 3.019 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)c1 ZINC000862759485 621614257 /nfs/dbraw/zinc/61/42/57/621614257.db2.gz DUYSLOHFXVBEOE-UONOGXRCSA-N 0 0 317.335 3.399 20 10 DGCDRN CCO[C@H](C)c1ncc(C(=O)NCc2cc(C)ccc2O)s1 ZINC000862759361 621614284 /nfs/dbraw/zinc/61/42/84/621614284.db2.gz CLEIOKMKYHLAGH-LLVKDONJSA-N 0 0 320.414 3.185 20 10 DGCDRN COc1ccc2c(c1)[C@H](C(=O)NCc1cc(C)ccc1O)CC2 ZINC000862757569 621614336 /nfs/dbraw/zinc/61/43/36/621614336.db2.gz YUOFVYUJMVCRLQ-MRXNPFEDSA-N 0 0 311.381 3.055 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@H](C)Cc2ccc(F)cc2)c1 ZINC000862758956 621614343 /nfs/dbraw/zinc/61/43/43/621614343.db2.gz REPVDEMIIMCMGV-CYBMUJFWSA-N 0 0 301.361 3.335 20 10 DGCDRN Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCc1cc(C)ccc1O ZINC000862757900 621614423 /nfs/dbraw/zinc/61/44/23/621614423.db2.gz HYYBTKMAPULPMO-KBPBESRZSA-N 0 0 301.411 3.490 20 10 DGCDRN CCOc1ccccc1CCC(=O)NCc1cc(C)ccc1O ZINC000862761737 621614710 /nfs/dbraw/zinc/61/47/10/621614710.db2.gz VSRQBTCAKGZNQZ-UHFFFAOYSA-N 0 0 313.397 3.348 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)C(C)(C)c2ccc(F)cc2)c1 ZINC000862760085 621614819 /nfs/dbraw/zinc/61/48/19/621614819.db2.gz LMCLGVZZBNUCMB-UHFFFAOYSA-N 0 0 301.361 3.434 20 10 DGCDRN COc1cc(OC)c2c(c1)N(C(=O)/C=C\c1cccnc1)CCC2 ZINC000862775641 621615526 /nfs/dbraw/zinc/61/55/26/621615526.db2.gz MFHHMVAXVUTBLS-FPLPWBNLSA-N 0 0 324.380 3.091 20 10 DGCDRN COC(=O)[C@@H](CC1CCCCC1)NCc1cccc(OC)c1O ZINC000756145624 621618542 /nfs/dbraw/zinc/61/85/42/621618542.db2.gz CFYBSMRCMIXVMF-OAHLLOKOSA-N 0 0 321.417 3.002 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)CCc2ccco2)c1 ZINC000756357801 621630596 /nfs/dbraw/zinc/63/05/96/621630596.db2.gz PSFBNMXPKQVUFJ-OLZOCXBDSA-N 0 0 317.385 3.444 20 10 DGCDRN COc1ccccc1OCC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756371480 621632364 /nfs/dbraw/zinc/63/23/64/621632364.db2.gz JYICPCREKTUVBC-NSHDSACASA-N 0 0 323.339 3.409 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1cc(F)cc(F)c1[O-] ZINC000756378874 621633050 /nfs/dbraw/zinc/63/30/50/621633050.db2.gz JFSOPXCLUUXPPL-GXFFZTMASA-N 0 0 305.324 3.325 20 10 DGCDRN Cc1cc(C)cc([C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C(=O)[O-])c1 ZINC000756389650 621634372 /nfs/dbraw/zinc/63/43/72/621634372.db2.gz QUYVJFJFNLGNMC-GOSISDBHSA-N 0 0 312.413 3.285 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1cc(F)cc(F)c1[O-] ZINC000756393094 621634755 /nfs/dbraw/zinc/63/47/55/621634755.db2.gz PXRWSTSOQVWJKC-SECBINFHSA-N 0 0 321.327 3.012 20 10 DGCDRN CC(C)[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])N1CCCC1 ZINC000756397923 621635143 /nfs/dbraw/zinc/63/51/43/621635143.db2.gz ANYLJJXAMUZNDC-CJNGLKHVSA-N 0 0 321.421 3.071 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(C)s2)c1 ZINC000756417138 621637175 /nfs/dbraw/zinc/63/71/75/621637175.db2.gz JYXMANXICFRKNY-LLVKDONJSA-N 0 0 305.399 3.400 20 10 DGCDRN C[C@H](CN1CCC[C@@H](C)C1)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756459361 621639525 /nfs/dbraw/zinc/63/95/25/621639525.db2.gz NUBAJRJCQPNBQC-MGPQQGTHSA-N 0 0 321.421 3.071 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](O)c1ccccc1F)c1cc(F)cc(F)c1[O-] ZINC000756455715 621639673 /nfs/dbraw/zinc/63/96/73/621639673.db2.gz ASAMIKGOIRVRID-PSLIRLAXSA-N 0 0 311.303 3.194 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000756459574 621639916 /nfs/dbraw/zinc/63/99/16/621639916.db2.gz PKWZZVYINZHPNY-ZFWWWQNUSA-N 0 0 303.377 3.033 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](C)N1CCC(C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756504691 621642847 /nfs/dbraw/zinc/64/28/47/621642847.db2.gz PWANDDHGOPHPRT-ZIAGYGMSSA-N 0 0 321.421 3.071 20 10 DGCDRN Cc1cc(CNC(=O)[C@@H]2CO[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC000863164325 621644202 /nfs/dbraw/zinc/64/42/02/621644202.db2.gz GEOVHANJSJQWGW-YOEHRIQHSA-N 0 0 312.413 3.135 20 10 DGCDRN CC(=O)CCC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC000863162493 621644209 /nfs/dbraw/zinc/64/42/09/621644209.db2.gz LZGZHYUSSIXIJM-UHFFFAOYSA-N 0 0 312.413 3.388 20 10 DGCDRN Cc1cc(CNC(=O)C2CCOCC2)c(C)n1-c1ccccc1 ZINC000863167196 621644499 /nfs/dbraw/zinc/64/44/99/621644499.db2.gz FOVBOXDPPUHVOX-UHFFFAOYSA-N 0 0 312.413 3.137 20 10 DGCDRN CCC[C@@H](O)CC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000863166164 621644553 /nfs/dbraw/zinc/64/45/53/621644553.db2.gz VCCDHGXPFOQWTI-GOSISDBHSA-N 0 0 314.429 3.261 20 10 DGCDRN Cc1ccc2nc(C[NH2+][C@H](C)c3cc(F)cc(F)c3[O-])cn2c1 ZINC000756532886 621645351 /nfs/dbraw/zinc/64/53/51/621645351.db2.gz GUOYPHADIGWSAS-LLVKDONJSA-N 0 0 317.339 3.477 20 10 DGCDRN C[C@H]([NH2+]CCN1[C@H](C)CCC[C@@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756555700 621647768 /nfs/dbraw/zinc/64/77/68/621647768.db2.gz UVHLGHRHYCDPEM-MJBXVCDLSA-N 0 0 321.421 3.214 20 10 DGCDRN CC(C)c1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])on1 ZINC000756574592 621650040 /nfs/dbraw/zinc/65/00/40/621650040.db2.gz XUDOYRFNPCSIOV-JTQLQIEISA-N 0 0 305.334 3.263 20 10 DGCDRN CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000756575913 621650571 /nfs/dbraw/zinc/65/05/71/621650571.db2.gz RFCAOSBVUTYNAW-NEPJUHHUSA-N 0 0 318.377 3.490 20 10 DGCDRN C[C@@H]([NH2+]CCc1ccc(F)cc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756576765 621650742 /nfs/dbraw/zinc/65/07/42/621650742.db2.gz OIQAPGODJLCFJT-SNVBAGLBSA-N 0 0 322.311 3.472 20 10 DGCDRN CC[C@H](CCO)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756602262 621651590 /nfs/dbraw/zinc/65/15/90/621651590.db2.gz DMEBNROQVBKATI-RKDXNWHRSA-N 0 0 320.202 3.105 20 10 DGCDRN CC[C@@H](COC)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756596157 621651812 /nfs/dbraw/zinc/65/18/12/621651812.db2.gz YGKXGFZZMXOGMQ-BDAKNGLRSA-N 0 0 320.202 3.369 20 10 DGCDRN CO[C@]1(C)C[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1(C)C ZINC000756627235 621653686 /nfs/dbraw/zinc/65/36/86/621653686.db2.gz SOEQTHSPLQIKAB-FUEDEBDSSA-N 0 0 308.378 3.155 20 10 DGCDRN C[C@@H]([NH2+]Cc1csc(N(C)C)n1)c1cc(F)cc(F)c1[O-] ZINC000756635680 621654484 /nfs/dbraw/zinc/65/44/84/621654484.db2.gz GYZXBXKMCSMTEI-MRVPVSSYSA-N 0 0 313.373 3.044 20 10 DGCDRN Cc1ccccc1[C@H](CO)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756638660 621654964 /nfs/dbraw/zinc/65/49/64/621654964.db2.gz VQOUDIIREAYHGU-BZNIZROVSA-N 0 0 307.340 3.363 20 10 DGCDRN Cc1noc(C)c1CCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756640480 621655019 /nfs/dbraw/zinc/65/50/19/621655019.db2.gz MSMUUTMGMJUUMF-SNVBAGLBSA-N 0 0 319.361 3.189 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756707392 621659432 /nfs/dbraw/zinc/65/94/32/621659432.db2.gz YLIDUOAFQFJXCD-QWHCGFSZSA-N 0 0 316.357 3.419 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCSC1)c1cc(Br)c(F)cc1[O-] ZINC000756734144 621661377 /nfs/dbraw/zinc/66/13/77/621661377.db2.gz UXXAKLGRPUTGIZ-HTQZYQBOSA-N 0 0 320.227 3.450 20 10 DGCDRN C[C@@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000756771334 621663267 /nfs/dbraw/zinc/66/32/67/621663267.db2.gz VKXKXBDQAWILPS-ZMZPIMSZSA-N 0 0 319.351 3.155 20 10 DGCDRN C[C@H]([NH2+]CCc1cnccn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756788929 621664785 /nfs/dbraw/zinc/66/47/85/621664785.db2.gz ZDSUPVLVKPWLEK-VIFPVBQESA-N 0 0 312.200 3.382 20 10 DGCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc3c(c2)OCO3)c1 ZINC000756795248 621665177 /nfs/dbraw/zinc/66/51/77/621665177.db2.gz JZHANXSZFRGRNS-SNVBAGLBSA-N 0 0 315.325 3.081 20 10 DGCDRN COCC1([NH2+][C@H](C)c2cc(Br)cc(F)c2[O-])CC1 ZINC000756849483 621667908 /nfs/dbraw/zinc/66/79/08/621667908.db2.gz BGHSZRVTYJWJDN-MRVPVSSYSA-N 0 0 318.186 3.123 20 10 DGCDRN COc1ccc(O)c([C@H](C)[NH2+]Cc2nnc(-c3ccccc3)[n-]2)c1 ZINC000756867129 621668968 /nfs/dbraw/zinc/66/89/68/621668968.db2.gz GJORAXTXCZSHCO-LBPRGKRZSA-N 0 0 324.384 3.037 20 10 DGCDRN Cc1ccc(O)c([C@@H](C)[NH2+]Cc2nnc(-c3ccccc3)[n-]2)c1 ZINC000756867101 621669248 /nfs/dbraw/zinc/66/92/48/621669248.db2.gz FUTXGDBREDGEAU-CYBMUJFWSA-N 0 0 308.385 3.337 20 10 DGCDRN CC[C@H]1CC[C@@H](C(=O)NCc2ccc(N(CC)CC)cc2)O1 ZINC000756916767 621672787 /nfs/dbraw/zinc/67/27/87/621672787.db2.gz INVNFPNITXXKEF-IRXDYDNUSA-N 0 0 304.434 3.107 20 10 DGCDRN CC[C@@H]1CC[C@H](C(=O)NCc2ccc(N(CC)CC)c(F)c2)O1 ZINC000756934161 621673569 /nfs/dbraw/zinc/67/35/69/621673569.db2.gz OOEOVRGOSJGFDL-RHSMWYFYSA-N 0 0 322.424 3.246 20 10 DGCDRN Cc1cc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)ccc1N(C)C ZINC000863476269 621676699 /nfs/dbraw/zinc/67/66/99/621676699.db2.gz YRVHOKRWNBLYMD-SOLBZPMBSA-N 0 0 316.445 3.136 20 10 DGCDRN CC[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(N(C)C)cc1C ZINC000756984106 621677550 /nfs/dbraw/zinc/67/75/50/621677550.db2.gz CRLSMFBXLKCURB-YOEHRIQHSA-N 0 0 303.450 3.439 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000757098956 621686413 /nfs/dbraw/zinc/68/64/13/621686413.db2.gz IMFLNEGHBGCORF-ZFWWWQNUSA-N 0 0 318.442 3.189 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NCC2(CC(C)C)CCC2)c1 ZINC000757206775 621692955 /nfs/dbraw/zinc/69/29/55/621692955.db2.gz FEFJMYAMVWYFRM-UHFFFAOYSA-N 0 0 320.433 3.416 20 10 DGCDRN [NH3+]C[C@H]1CN(Cc2cccc(Cl)c2[O-])CC[C@H]1C(F)(F)F ZINC000863645980 621693423 /nfs/dbraw/zinc/69/34/23/621693423.db2.gz OZHJDYCLPVBECJ-WDEREUQCSA-N 0 0 322.758 3.005 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(C)cc2)c1 ZINC000103503344 621697118 /nfs/dbraw/zinc/69/71/18/621697118.db2.gz AGVKNUQMCAQSKN-ZDUSSCGKSA-N 0 0 314.385 3.270 20 10 DGCDRN CC(C)CONC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000119571663 621697113 /nfs/dbraw/zinc/69/71/13/621697113.db2.gz BTKLRAUYLLNCII-UHFFFAOYSA-N 0 0 319.449 3.310 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CCO[C@H](C3CCC3)C2)c1O ZINC000839622347 621701423 /nfs/dbraw/zinc/70/14/23/621701423.db2.gz BUZVSDISEGUJNU-INIZCTEOSA-N 0 0 323.820 3.249 20 10 DGCDRN CCc1nnc(CN2CCCc3cc(OC)cc(OC)c32)s1 ZINC000839654955 621704200 /nfs/dbraw/zinc/70/42/00/621704200.db2.gz CUXRIQWFQANUIQ-UHFFFAOYSA-N 0 0 319.430 3.071 20 10 DGCDRN COc1cccc(CNC(=O)c2cc(F)cc(Cl)c2)c1O ZINC000757384081 621705429 /nfs/dbraw/zinc/70/54/29/621705429.db2.gz ZWGYPEIQQLZKPC-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1C(=O)[O-] ZINC000863740377 621705650 /nfs/dbraw/zinc/70/56/50/621705650.db2.gz UTBUCKBZCIGREO-YJBOKZPZSA-N 0 0 316.445 3.220 20 10 DGCDRN C/C=C/C[C@@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000863820392 621711030 /nfs/dbraw/zinc/71/10/30/621711030.db2.gz YEMFOPBBBSQJIW-IWHJLEOFSA-N 0 0 301.386 3.316 20 10 DGCDRN C[C@@H](NC(=O)Cc1cnccc1Cl)c1ccc(N(C)C)cc1 ZINC000839727933 621717403 /nfs/dbraw/zinc/71/74/03/621717403.db2.gz FTOOYDXPHZCEFB-GFCCVEGCSA-N 0 0 317.820 3.221 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)c2cn[nH]c2)cc1 ZINC000757573078 621725046 /nfs/dbraw/zinc/72/50/46/621725046.db2.gz ABFCEVAVBIVUAK-CQSZACIVSA-N 0 0 308.385 3.308 20 10 DGCDRN CN=[S@@](C)(=O)c1cccc(NCc2cc(C)ccc2O)c1 ZINC000864014891 621727530 /nfs/dbraw/zinc/72/75/30/621727530.db2.gz ZCZHZHRSSHJUGX-NRFANRHFSA-N 0 0 304.415 3.399 20 10 DGCDRN Cc1ccc([C@H](C)Nc2ccc3c(c2)C(=O)NCC3)c(O)c1C ZINC000757613435 621728550 /nfs/dbraw/zinc/72/85/50/621728550.db2.gz RPFKDZJAJZGCPV-ZDUSSCGKSA-N 0 0 310.397 3.468 20 10 DGCDRN Cc1ccc([C@H](C)Nc2cccc([C@@H]3CNC(=O)C3)c2)c(O)c1 ZINC000757619057 621728860 /nfs/dbraw/zinc/72/88/60/621728860.db2.gz KDWPHTDXSDTKBX-ZFWWWQNUSA-N 0 0 310.397 3.477 20 10 DGCDRN C[C@H](C[C@H](C)O)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000757655908 621731018 /nfs/dbraw/zinc/73/10/18/621731018.db2.gz LORGIXKDKYDVAI-HRDYMLBCSA-N 0 0 320.202 3.104 20 10 DGCDRN Cc1ccc(C(=O)N[C@H](C)CCCC(F)(F)F)c(O)c1O ZINC000757647082 621731099 /nfs/dbraw/zinc/73/10/99/621731099.db2.gz NVLWUHYRPCEBRJ-SECBINFHSA-N 0 0 305.296 3.257 20 10 DGCDRN COc1c(N[C@@H](C)c2ccc(C)c(C)c2O)cccc1C(N)=O ZINC000757660012 621732053 /nfs/dbraw/zinc/73/20/53/621732053.db2.gz YFADEACZZQOGSY-LBPRGKRZSA-N 0 0 314.385 3.290 20 10 DGCDRN Oc1ccc(Cl)cc1CNc1ccc(-n2cncn2)c(F)c1 ZINC000119868860 621740538 /nfs/dbraw/zinc/74/05/38/621740538.db2.gz OBVIBBMFBHLZBL-UHFFFAOYSA-N 0 0 318.739 3.378 20 10 DGCDRN Cc1cc(CCNC(=O)Nc2ccon2)c(C)n1-c1ccccc1 ZINC000757852492 621742744 /nfs/dbraw/zinc/74/27/44/621742744.db2.gz SCVWMTFGBGOSES-UHFFFAOYSA-N 0 0 324.384 3.446 20 10 DGCDRN COc1ccc(OC)c(CN(C)c2ccc(OC)c(F)c2)c1 ZINC000757852325 621742792 /nfs/dbraw/zinc/74/27/92/621742792.db2.gz KCQDXJDBMLFCRK-UHFFFAOYSA-N 0 0 305.349 3.488 20 10 DGCDRN COc1ccc(N(C)Cc2cccc3c2OCCO3)cc1F ZINC000757857868 621743344 /nfs/dbraw/zinc/74/33/44/621743344.db2.gz RCZANFLRHGXEAK-UHFFFAOYSA-N 0 0 303.333 3.242 20 10 DGCDRN O=S(=O)(Nc1ccc(O)cc1F)c1cccc2c1CCCC2 ZINC000758168725 621762967 /nfs/dbraw/zinc/76/29/67/621762967.db2.gz DYOWQWAJOGVVGA-UHFFFAOYSA-N 0 0 321.373 3.211 20 10 DGCDRN CCC(C)(C)NC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000120037400 621763375 /nfs/dbraw/zinc/76/33/75/621763375.db2.gz MIRYKZAKEVVMNQ-UHFFFAOYSA-N 0 0 319.449 3.152 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CC[C@@H](c3ccccc3)C2)cc1 ZINC000120054668 621768836 /nfs/dbraw/zinc/76/88/36/621768836.db2.gz NTUASALZQPVRFI-GOSISDBHSA-N 0 0 323.440 3.452 20 10 DGCDRN CN(C)c1cc(F)c(C[NH2+][C@@H](CC(C)(C)C)C(=O)[O-])cc1F ZINC000864507450 621775078 /nfs/dbraw/zinc/77/50/78/621775078.db2.gz NTQSHXKXSXTPCG-ZDUSSCGKSA-N 0 0 314.376 3.010 20 10 DGCDRN O=C(NC[C@@H](O)c1cc2ccccc2s1)C1=CC(=O)CS1 ZINC000758332542 621775462 /nfs/dbraw/zinc/77/54/62/621775462.db2.gz UMLSUCSLTNHDSS-LLVKDONJSA-N 0 0 319.407 3.132 20 10 DGCDRN O=C(OCCN1CCCc2ccccc21)C1=CC(=O)CS1 ZINC000758433478 621781811 /nfs/dbraw/zinc/78/18/11/621781811.db2.gz XMMNVUQMQMGXIM-UHFFFAOYSA-N 0 0 303.383 3.063 20 10 DGCDRN CC(C)CSCCCn1cc(COc2ccc(N)cc2)nn1 ZINC000864627512 621793530 /nfs/dbraw/zinc/79/35/30/621793530.db2.gz NWOBJTDLVWDXCD-UHFFFAOYSA-N 0 0 320.462 3.219 20 10 DGCDRN CC[C@@]1(C)CCN(C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000758781503 621801329 /nfs/dbraw/zinc/80/13/29/621801329.db2.gz XGHDKUYAYPOVGQ-SFHVURJKSA-N 0 0 303.450 3.393 20 10 DGCDRN C[C@@H]1C[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)[C@H](C)O1 ZINC000864786459 621813502 /nfs/dbraw/zinc/81/35/02/621813502.db2.gz SGHQDCCBEGWHMA-QWQRMKEZSA-N 0 0 316.445 3.057 20 10 DGCDRN Cn1nc(CNCc2c(O)cccc2Cl)c2ccccc21 ZINC000759189611 621834080 /nfs/dbraw/zinc/83/40/80/621834080.db2.gz BRTYVECLGKSHGP-UHFFFAOYSA-N 0 0 301.777 3.222 20 10 DGCDRN CCCc1nc(C(=O)NCc2ccc(N(CC)CC)cc2)co1 ZINC000759527821 621867768 /nfs/dbraw/zinc/86/77/68/621867768.db2.gz CQGALIKVBLGPEC-UHFFFAOYSA-N 0 0 315.417 3.403 20 10 DGCDRN CC(C)(C)CCNC(=O)NCCCSc1nccs1 ZINC000759562268 621871356 /nfs/dbraw/zinc/87/13/56/621871356.db2.gz LSSXDTUHOXPCIY-UHFFFAOYSA-N 0 0 301.481 3.361 20 10 DGCDRN COc1ccc(C)cc1COC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000759591265 621873875 /nfs/dbraw/zinc/87/38/75/621873875.db2.gz GKNKBRDXZVFWCC-YVMONPNESA-N 0 0 314.337 3.171 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCCCc1cccc(F)c1 ZINC000759598272 621874036 /nfs/dbraw/zinc/87/40/36/621874036.db2.gz VKKAPUMBDKTLAA-CLFYSBASSA-N 0 0 316.328 3.426 20 10 DGCDRN O=C(NCCCSc1nccs1)N1CCC[C@@H]1C1CC1 ZINC000759601343 621874781 /nfs/dbraw/zinc/87/47/81/621874781.db2.gz IFUJPOPJRNPEIE-GFCCVEGCSA-N 0 0 311.476 3.209 20 10 DGCDRN Oc1cccc(Cl)c1CNc1ccc(-n2cncn2)c(F)c1 ZINC000120446351 621879829 /nfs/dbraw/zinc/87/98/29/621879829.db2.gz CYFCCXDLFTXXBN-UHFFFAOYSA-N 0 0 318.739 3.378 20 10 DGCDRN CC(C)c1nnc(NCc2c(O)cccc2Br)o1 ZINC000865289933 621890762 /nfs/dbraw/zinc/89/07/62/621890762.db2.gz XTSDJZUASJVOKA-UHFFFAOYSA-N 0 0 312.167 3.273 20 10 DGCDRN CCOc1ccc(CNc2nc(C(C)(C)OC)ns2)c(O)c1 ZINC000865295817 621892459 /nfs/dbraw/zinc/89/24/59/621892459.db2.gz LKPTXGXBBLDHSC-UHFFFAOYSA-N 0 0 323.418 3.136 20 10 DGCDRN COC(=O)c1cnc(SCc2cccc3c2CCOC3)s1 ZINC000865369323 621903585 /nfs/dbraw/zinc/90/35/85/621903585.db2.gz RBVARSVPUUICOX-UHFFFAOYSA-N 0 0 321.423 3.295 20 10 DGCDRN COC(=O)c1occc1CN(C)c1ccc(OC(C)C)cc1 ZINC000759934850 621903682 /nfs/dbraw/zinc/90/36/82/621903682.db2.gz YIMLCXRIIRFOPD-UHFFFAOYSA-N 0 0 303.358 3.490 20 10 DGCDRN CCO[C@@H](CC(=O)NCc1ccc(N(C)C)cc1C)C(C)C ZINC000760544076 621949759 /nfs/dbraw/zinc/94/97/59/621949759.db2.gz ARTOTYIWIGCYLS-KRWDZBQOSA-N 0 0 306.450 3.128 20 10 DGCDRN Cc1cc(C)c2c(N)c(C(=O)OC[C@@H]3CCCOC3)sc2n1 ZINC000760738927 621962804 /nfs/dbraw/zinc/96/28/04/621962804.db2.gz PSKICSVTDUBUMU-LLVKDONJSA-N 0 0 320.414 3.079 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)c1 ZINC000865690137 621978237 /nfs/dbraw/zinc/97/82/37/621978237.db2.gz WERYCQCSIZZWTI-OPQQBVKSSA-N 0 0 314.223 3.119 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c1 ZINC000865690135 621978414 /nfs/dbraw/zinc/97/84/14/621978414.db2.gz WERYCQCSIZZWTI-GBIKHYSHSA-N 0 0 314.223 3.119 20 10 DGCDRN CC[C@H](CC(F)(F)F)NC(=O)N(C)Cc1ccccc1O ZINC000761035449 621980915 /nfs/dbraw/zinc/98/09/15/621980915.db2.gz HLZGGEQGTDEBHD-LLVKDONJSA-N 0 0 304.312 3.265 20 10 DGCDRN COC(C)(C)CC[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000865755357 621989235 /nfs/dbraw/zinc/98/92/35/621989235.db2.gz UFSPBSXZIUYXPR-UHFFFAOYSA-N 0 0 316.239 3.368 20 10 DGCDRN CC(C)(C)c1nc[nH]c1C(=O)NCCCSc1nccs1 ZINC000865783980 621995054 /nfs/dbraw/zinc/99/50/54/621995054.db2.gz UTXYBTBXMHEFFB-UHFFFAOYSA-N 0 0 324.475 3.076 20 10 DGCDRN Cn1nc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])c2ccccc21 ZINC000761224996 621995519 /nfs/dbraw/zinc/99/55/19/621995519.db2.gz DVQJDZQGABBXHE-UHFFFAOYSA-N 0 0 319.767 3.361 20 10 DGCDRN Cc1ccc(C[N@@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])nc1 ZINC000789595416 625532458 /nfs/dbraw/zinc/53/24/58/625532458.db2.gz UJVGHSQKCIBRIM-UHFFFAOYSA-N 0 0 321.764 3.289 20 10 DGCDRN CC[C@@H](C[C@H](C)O)[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000865873737 622013127 /nfs/dbraw/zinc/01/31/27/622013127.db2.gz HNBGHGNLDCAHBQ-JQWIXIFHSA-N 0 0 316.239 3.102 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2c(F)cccc2OC)c1 ZINC000761541836 622015794 /nfs/dbraw/zinc/01/57/94/622015794.db2.gz OIWIIZVMZUKYMC-JTQLQIEISA-N 0 0 319.332 3.040 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC2CC=CC2)cc1F ZINC000120825355 622024748 /nfs/dbraw/zinc/02/47/48/622024748.db2.gz PYUITCFYFLZJFZ-UHFFFAOYSA-N 0 0 305.397 3.190 20 10 DGCDRN C[C@H](C(=O)NCCc1ccc(O)c(O)c1)c1cccc(Cl)c1 ZINC000762267395 622067068 /nfs/dbraw/zinc/06/70/68/622067068.db2.gz JIBCDWJYLDAORG-NSHDSACASA-N 0 0 319.788 3.214 20 10 DGCDRN C[C@H](Nc1nc(C2CCOCC2)ns1)c1ccccc1O ZINC000866236411 622072423 /nfs/dbraw/zinc/07/24/23/622072423.db2.gz AWBVLENIUSGOMF-JTQLQIEISA-N 0 0 305.403 3.311 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cccc(C(C)C)n2)c1 ZINC000762539101 622082375 /nfs/dbraw/zinc/08/23/75/622082375.db2.gz VETPHAVVMKIIFK-LBPRGKRZSA-N 0 0 314.385 3.410 20 10 DGCDRN C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])CC1(C)OCCO1 ZINC000866427017 622116646 /nfs/dbraw/zinc/11/66/46/622116646.db2.gz GWNDAMQUVFWDAG-NEPJUHHUSA-N 0 0 313.825 3.485 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CC3(CCC3)C[C@@H]2C)cc1OC ZINC000763035728 622118378 /nfs/dbraw/zinc/11/83/78/622118378.db2.gz MOTOSLMQIWPSOR-NSHDSACASA-N 0 0 306.362 3.381 20 10 DGCDRN C[C@@H]([NH2+]CC[C@H](O)C(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000866442105 622118817 /nfs/dbraw/zinc/11/88/17/622118817.db2.gz DRIXSWIYLRIYPJ-MUWHJKNJSA-N 0 0 314.159 3.366 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1CCC12CCOCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866528965 622132433 /nfs/dbraw/zinc/13/24/33/622132433.db2.gz LFSQUEDTKFZJOI-CHWSQXEVSA-N 0 0 320.389 3.158 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1cc(F)cc(F)c1[O-] ZINC000866538272 622134583 /nfs/dbraw/zinc/13/45/83/622134583.db2.gz QAPIRWKRFLKUNT-GMXABZIVSA-N 0 0 311.372 3.384 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)C1([C@H]2CCCCO2)CCC1 ZINC000866596333 622143886 /nfs/dbraw/zinc/14/38/86/622143886.db2.gz DMDPZMJCJSVYDG-MRXNPFEDSA-N 0 0 303.402 3.090 20 10 DGCDRN CC(C)(C)OC1CC(CCNC(=O)NCc2ccccc2O)C1 ZINC000763476051 622147503 /nfs/dbraw/zinc/14/75/03/622147503.db2.gz LCIOMWQZHQGMRJ-UHFFFAOYSA-N 0 0 320.433 3.175 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc2c([nH]c1=O)CCCC2)c1ccc(F)cc1[O-] ZINC000866640657 622152159 /nfs/dbraw/zinc/15/21/59/622152159.db2.gz IEKXHERBZSZPMJ-LLVKDONJSA-N 0 0 316.376 3.362 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)C1(c2ccccn2)CC1 ZINC000866770867 622162971 /nfs/dbraw/zinc/16/29/71/622162971.db2.gz HPTHLRVXJPBJOI-UHFFFAOYSA-N 0 0 322.408 3.014 20 10 DGCDRN CC[C@@H](O)CCNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000763833173 622164561 /nfs/dbraw/zinc/16/45/61/622164561.db2.gz MULLFWDNWRYICH-QGZVFWFLSA-N 0 0 314.429 3.293 20 10 DGCDRN COc1ccc(N(C)CC(=O)N(C)C2CCCCC2)cc1F ZINC000121810711 622183684 /nfs/dbraw/zinc/18/36/84/622183684.db2.gz HVNCXIVDPCRUBX-UHFFFAOYSA-N 0 0 308.397 3.062 20 10 DGCDRN CS/C=C/C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000764270971 622186675 /nfs/dbraw/zinc/18/66/75/622186675.db2.gz CNULKUMKYIQNPX-DHZHZOJOSA-N 0 0 310.382 3.212 20 10 DGCDRN O=C(NCCCSc1nccs1)N1CC[C@H](C2CC2)C1 ZINC000764442763 622194208 /nfs/dbraw/zinc/19/42/08/622194208.db2.gz UENHGLOOPRDLGF-LBPRGKRZSA-N 0 0 311.476 3.067 20 10 DGCDRN CC[C@@H]1CN(c2ccccc2)CCN1C(=O)C1=CC(=O)CS1 ZINC000764484153 622197526 /nfs/dbraw/zinc/19/75/26/622197526.db2.gz MIRVYGHFLVDEDI-CYBMUJFWSA-N 0 0 316.426 3.195 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H](C)Cc1cccs1)c1ccccc1O ZINC000868045281 622208362 /nfs/dbraw/zinc/20/83/62/622208362.db2.gz WGUJVOXPPPTBNO-NWDGAFQWSA-N 0 0 304.415 3.445 20 10 DGCDRN CCOc1cccc(CNC(=O)N[C@H](C)c2ccccc2O)c1 ZINC000868056489 622209283 /nfs/dbraw/zinc/20/92/83/622209283.db2.gz IESAJDUJBLZOKL-CYBMUJFWSA-N 0 0 314.385 3.351 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1C[C@]1(C)c1ccccc1)c1ccccc1O ZINC000868308894 622232837 /nfs/dbraw/zinc/23/28/37/622232837.db2.gz CTNBHDVQZNFSLK-SOVGHPHASA-N 0 0 310.397 3.483 20 10 DGCDRN COc1ccc(C[NH2+][C@H]2CCN(C3CCCCC3)C2=O)cc1C ZINC000765266959 622255653 /nfs/dbraw/zinc/25/56/53/622255653.db2.gz NFQQKEAIZZBYSN-KRWDZBQOSA-N 0 0 316.445 3.027 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccccc1O ZINC000868555529 622257436 /nfs/dbraw/zinc/25/74/36/622257436.db2.gz KZYLBTMCSGXFAO-XFBWCDHKSA-N 0 0 314.360 3.448 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1CCCC12CCOCC2)c1ccccc1O ZINC000868582810 622260423 /nfs/dbraw/zinc/26/04/23/622260423.db2.gz MVNFUTMXXHJUOO-CZUORRHYSA-N 0 0 318.417 3.102 20 10 DGCDRN C[C@H](NC(=O)NCCC1C[C@@H](C)O[C@H](C)C1)c1ccccc1O ZINC000868585476 622261050 /nfs/dbraw/zinc/26/10/50/622261050.db2.gz FPFWLLYUBNVGLT-MCIONIFRSA-N 0 0 320.433 3.346 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1c2ccccc2O[C@@H]1C)c1ccccc1O ZINC000868617169 622264507 /nfs/dbraw/zinc/26/45/07/622264507.db2.gz ABRYQBFRDBEBNI-JKDFXYPNSA-N 0 0 312.369 3.275 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC2CCC3(CC3)CC2)cc1 ZINC000765452508 622266041 /nfs/dbraw/zinc/26/60/41/622266041.db2.gz FUSJDQZHOKCYTH-UHFFFAOYSA-N 0 0 301.434 3.275 20 10 DGCDRN CC(=O)c1cccc(C(=O)NCCCSc2nccs2)c1 ZINC000765526189 622271187 /nfs/dbraw/zinc/27/11/87/622271187.db2.gz NPWTZLJIMWRRLN-UHFFFAOYSA-N 0 0 320.439 3.258 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C(F)(F)c2ccccc2F)cc1 ZINC000765544171 622272280 /nfs/dbraw/zinc/27/22/80/622272280.db2.gz LYGXAORTWZMLAG-UHFFFAOYSA-N 0 0 322.330 3.300 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC2CCC3(CC3)CC2)c1 ZINC000765587983 622274923 /nfs/dbraw/zinc/27/49/23/622274923.db2.gz XNADVBGSGDGAGJ-GFCCVEGCSA-N 0 0 318.417 3.484 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1nn(C)c2ccccc12 ZINC000765657723 622280469 /nfs/dbraw/zinc/28/04/69/622280469.db2.gz MFMAAMJBGIAFEY-UHFFFAOYSA-N 0 0 322.412 3.038 20 10 DGCDRN COc1c(C)cccc1CNC(=O)N[C@H](C)c1ccccc1O ZINC000868751948 622281122 /nfs/dbraw/zinc/28/11/22/622281122.db2.gz RMVQSQSRNRTLGG-CYBMUJFWSA-N 0 0 314.385 3.270 20 10 DGCDRN O=C(C[C@@H]1C=CCC1)NCc1cccc(Br)c1O ZINC000765751237 622285268 /nfs/dbraw/zinc/28/52/68/622285268.db2.gz BNEYFDRSSJMNSQ-SNVBAGLBSA-N 0 0 310.191 3.127 20 10 DGCDRN Cc1cc(C(=O)NCc2cccc(Br)c2O)oc1C ZINC000765766033 622285928 /nfs/dbraw/zinc/28/59/28/622285928.db2.gz UXECXZVITFKJHE-UHFFFAOYSA-N 0 0 324.174 3.295 20 10 DGCDRN COc1ccc2c(c1)CCCCN2C(=O)/C=C/c1cccnc1 ZINC000766053515 622302481 /nfs/dbraw/zinc/30/24/81/622302481.db2.gz VKCPDBJQQVYARP-JXMROGBWSA-N 0 0 308.381 3.473 20 10 DGCDRN C[C@H](NC(=O)N[C@H](C1CCC1)[C@@H]1CCCO1)c1ccccc1O ZINC000868988694 622306591 /nfs/dbraw/zinc/30/65/91/622306591.db2.gz AZIIZEGSKZSRHV-AFAVFJNCSA-N 0 0 318.417 3.100 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000766224107 622313365 /nfs/dbraw/zinc/31/33/65/622313365.db2.gz LMVSCQUCUAPTCF-LBPRGKRZSA-N 0 0 312.816 3.291 20 10 DGCDRN COc1ccc2c(c1)CCCCN2CCOCC(F)(F)F ZINC000766270016 622316308 /nfs/dbraw/zinc/31/63/08/622316308.db2.gz NUYHMOSONOZQQM-UHFFFAOYSA-N 0 0 303.324 3.417 20 10 DGCDRN CCOc1nnc(CN2CCCCc3cc(OC)ccc32)s1 ZINC000766267292 622316333 /nfs/dbraw/zinc/31/63/33/622316333.db2.gz AYISOXIZKMWWBS-UHFFFAOYSA-N 0 0 319.430 3.288 20 10 DGCDRN CC(C)(C(=O)NCc1cc(Cl)ccc1O)[C@@H]1CCCCO1 ZINC000869147463 622321978 /nfs/dbraw/zinc/32/19/78/622321978.db2.gz RTHNPCUOXCUMRT-AWEZNQCLSA-N 0 0 311.809 3.257 20 10 DGCDRN COc1ccc(CNC(=S)Nc2ccc3c(c2)CCC3)nc1 ZINC000766512651 622335371 /nfs/dbraw/zinc/33/53/71/622335371.db2.gz SEOSIAKDEZLLGN-UHFFFAOYSA-N 0 0 313.426 3.066 20 10 DGCDRN CCc1ccccc1NC(=S)NCc1ccc(OC)cn1 ZINC000766515251 622335922 /nfs/dbraw/zinc/33/59/22/622335922.db2.gz CZXULOZUMDTSQZ-UHFFFAOYSA-N 0 0 301.415 3.139 20 10 DGCDRN C[C@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@H]1C ZINC000766775597 622352123 /nfs/dbraw/zinc/35/21/23/622352123.db2.gz GJPZEHSDEMGVJV-LSDHHAIUSA-N 0 0 315.461 3.257 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)C2([C@H]3CCCCO3)CCC2)c1 ZINC000869410283 622352828 /nfs/dbraw/zinc/35/28/28/622352828.db2.gz JNEBPPPBAZKHFZ-MRXNPFEDSA-N 0 0 303.402 3.056 20 10 DGCDRN Cc1cccc(CO[C@H](C)C(=O)NCc2cc(C)ccc2O)c1 ZINC000869410544 622353201 /nfs/dbraw/zinc/35/32/01/622353201.db2.gz LQBAEQNTFZQPMQ-OAHLLOKOSA-N 0 0 313.397 3.231 20 10 DGCDRN C[C@@H](NC(=O)[C@@H]1CCCc2cccnc21)c1ccc(N(C)C)cc1 ZINC000766908789 622361072 /nfs/dbraw/zinc/36/10/72/622361072.db2.gz DUDYNUZLWFJHEQ-RDTXWAMCSA-N 0 0 323.440 3.445 20 10 DGCDRN O=C(NCc1ccccc1O)c1cccc([C@@H]2CCCOC2)c1 ZINC000767086975 622374634 /nfs/dbraw/zinc/37/46/34/622374634.db2.gz CJRFMYSERKSMHA-QGZVFWFLSA-N 0 0 311.381 3.216 20 10 DGCDRN O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)C1=CC(=O)CS1 ZINC000869584239 622377861 /nfs/dbraw/zinc/37/78/61/622377861.db2.gz ALVNWJDJJYLLPA-OCCSQVGLSA-N 0 0 323.801 3.367 20 10 DGCDRN CCOc1ccc(N(CC2CC2)C(=O)/C=C/c2cnccn2)cc1 ZINC000869718712 622395702 /nfs/dbraw/zinc/39/57/02/622395702.db2.gz CPGKZKNAGXKGMO-BJMVGYQFSA-N 0 0 323.396 3.332 20 10 DGCDRN Oc1ccc(Cl)c(F)c1CN1C[C@H](O)Cc2ccccc21 ZINC000789761522 625563845 /nfs/dbraw/zinc/56/38/45/625563845.db2.gz IHRARDZOVMEBGL-LLVKDONJSA-N 0 0 307.752 3.108 20 10 DGCDRN Cc1cccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)n1 ZINC000122863141 622421596 /nfs/dbraw/zinc/42/15/96/622421596.db2.gz YBGAEMUORDGIOT-UHFFFAOYSA-N 0 0 308.385 3.088 20 10 DGCDRN Cc1nc(-c2ccccc2)ncc1C(=O)NCc1ccccc1O ZINC000767928073 622428762 /nfs/dbraw/zinc/42/87/62/622428762.db2.gz VAXKOQQDXFLXFJ-UHFFFAOYSA-N 0 0 319.364 3.088 20 10 DGCDRN Cc1cc(CCNC(=O)NCCCF)c(C)n1-c1ccccc1 ZINC000767961802 622430289 /nfs/dbraw/zinc/43/02/89/622430289.db2.gz CNQVSJLVMDOLDY-UHFFFAOYSA-N 0 0 317.408 3.295 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)CC(F)(F)F)c1 ZINC000768270423 622448147 /nfs/dbraw/zinc/44/81/47/622448147.db2.gz AIGQPTHREQAEIN-DTWKUNHWSA-N 0 0 305.296 3.170 20 10 DGCDRN O=C1N[C@@H](c2cc(Cl)cc(F)c2O)Nc2cc(F)ccc21 ZINC000768266630 622448266 /nfs/dbraw/zinc/44/82/66/622448266.db2.gz WZWWOSJNDVNJNU-ZDUSSCGKSA-N 0 0 310.687 3.178 20 10 DGCDRN Oc1cc2c(cc1CN1CCO[C@H](C(F)(F)F)C1)CCCC2 ZINC000768445182 622457029 /nfs/dbraw/zinc/45/70/29/622457029.db2.gz GIVILXITQCRGFA-HNNXBMFYSA-N 0 0 315.335 3.034 20 10 DGCDRN CCC(=CC(=O)N1CCCN(c2ccc(OC)cc2)CC1)CC ZINC000123079162 622457248 /nfs/dbraw/zinc/45/72/48/622457248.db2.gz IBAMFQPDXWXLSG-UHFFFAOYSA-N 0 0 316.445 3.480 20 10 DGCDRN Cc1cccc2c1CCCN2Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768462916 622458090 /nfs/dbraw/zinc/45/80/90/622458090.db2.gz OWRWOHPTUKHKFM-SFHVURJKSA-N 0 0 311.381 3.079 20 10 DGCDRN C[C@H]1CCc2ccccc2N1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768462122 622458103 /nfs/dbraw/zinc/45/81/03/622458103.db2.gz JPPFFUAGPOINJF-SGTLLEGYSA-N 0 0 311.381 3.159 20 10 DGCDRN C[C@@](O)(C1CC[NH+](Cc2cccc(F)c2[O-])CC1)C(F)(F)F ZINC000768531667 622462330 /nfs/dbraw/zinc/46/23/30/622462330.db2.gz HRWKTKKIJSGNQT-CQSZACIVSA-N 0 0 321.314 3.057 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cccc(OC(F)F)c2)cc1 ZINC000018215108 622474221 /nfs/dbraw/zinc/47/42/21/622474221.db2.gz OSGCHNWZQYVTBH-UHFFFAOYSA-N 0 0 320.339 3.284 20 10 DGCDRN CC[C@H](C)[C@@H](NC(=O)c1ccc(C)c(O)c1O)C(F)(F)F ZINC000769080277 622497385 /nfs/dbraw/zinc/49/73/85/622497385.db2.gz AEKSQKCPFYJEKF-JVXZTZIISA-N 0 0 305.296 3.113 20 10 DGCDRN O=C(/C=C\c1nc2ccccc2s1)NCc1ccccc1O ZINC000769361833 622520785 /nfs/dbraw/zinc/52/07/85/622520785.db2.gz AYGUQKGCKUUKMK-KTKRTIGZSA-N 0 0 310.378 3.332 20 10 DGCDRN C[C@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000769446154 622528353 /nfs/dbraw/zinc/52/83/53/622528353.db2.gz HYOZIQVPKSHKOB-BONVTDFDSA-N 0 0 305.333 3.057 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](F)c2ccccc2)c1 ZINC000769608285 622544085 /nfs/dbraw/zinc/54/40/85/622544085.db2.gz UVCBMOJVTPYJBQ-BDJLRTHQSA-N 0 0 303.333 3.289 20 10 DGCDRN Cc1cc(C(=O)N2CCC(C)(F)CC2)c(C)n1-c1ccccn1 ZINC000871075032 622544327 /nfs/dbraw/zinc/54/43/27/622544327.db2.gz WNWOJHXTWKCADN-UHFFFAOYSA-N 0 0 315.392 3.453 20 10 DGCDRN Cc1ccc(C)c(OCCC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871199239 622565656 /nfs/dbraw/zinc/56/56/56/622565656.db2.gz OPQBIZGHBLJEKN-UHFFFAOYSA-N 0 0 311.381 3.320 20 10 DGCDRN CCCc1nc(C)c(C(=O)N2Cc3cccc(O)c3C2)s1 ZINC000871198414 622565667 /nfs/dbraw/zinc/56/56/67/622565667.db2.gz IGMWMMFPYQNHKS-UHFFFAOYSA-N 0 0 302.399 3.266 20 10 DGCDRN O=C([C@@H]1C[C@]12CCc1ccccc12)N1Cc2cccc(O)c2C1 ZINC000871202385 622566489 /nfs/dbraw/zinc/56/64/89/622566489.db2.gz GFQAHPADPZZEBQ-PXNSSMCTSA-N 0 0 305.377 3.139 20 10 DGCDRN O=C(C[C@H]1CCc2ccccc2C1)N1Cc2cccc(O)c2C1 ZINC000871202893 622567072 /nfs/dbraw/zinc/56/70/72/622567072.db2.gz OIHSGCCXSGBWOK-AWEZNQCLSA-N 0 0 307.393 3.430 20 10 DGCDRN Cc1ccc(N2CCCC2)c(C(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871202741 622567326 /nfs/dbraw/zinc/56/73/26/622567326.db2.gz NAVDVFDIQUGEJB-UHFFFAOYSA-N 0 0 322.408 3.457 20 10 DGCDRN Cc1cc(C(=O)N2Cc3cccc(O)c3C2)nn1[C@@H](C)C1CC1 ZINC000871203484 622567434 /nfs/dbraw/zinc/56/74/34/622567434.db2.gz ASPVJUVQTNFQQR-LBPRGKRZSA-N 0 0 311.385 3.024 20 10 DGCDRN O=C(CCC[C@@H](O)c1ccccc1)N1Cc2cccc(O)c2C1 ZINC000871204131 622567463 /nfs/dbraw/zinc/56/74/63/622567463.db2.gz DBTRCXOFINNBSJ-QGZVFWFLSA-N 0 0 311.381 3.138 20 10 DGCDRN C/C=C\COc1cccc(CC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871205575 622567884 /nfs/dbraw/zinc/56/78/84/622567884.db2.gz VLHHSGVSMBKYHQ-IHWYPQMZSA-N 0 0 323.392 3.432 20 10 DGCDRN CC1(C)COc2ccc(C(=O)N3Cc4cccc(O)c4C3)cc21 ZINC000871204424 622568121 /nfs/dbraw/zinc/56/81/21/622568121.db2.gz DQDFHYBSSAQZDN-UHFFFAOYSA-N 0 0 309.365 3.218 20 10 DGCDRN O=C([C@@H]1CC[C@H](Cc2ccccc2)O1)N1Cc2cccc(O)c2C1 ZINC000871207693 622568839 /nfs/dbraw/zinc/56/88/39/622568839.db2.gz QYFQCTDNYSZJLJ-APWZRJJASA-N 0 0 323.392 3.025 20 10 DGCDRN Cc1cccc(CO[C@@H](C)C(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871207029 622568969 /nfs/dbraw/zinc/56/89/69/622568969.db2.gz IRWVKLCRCHSCQP-AWEZNQCLSA-N 0 0 311.381 3.148 20 10 DGCDRN CCCOc1ccc(CNC(=O)C2=CC(=O)CS2)c(C)c1 ZINC000789918674 625580098 /nfs/dbraw/zinc/58/00/98/625580098.db2.gz QMMMKUHQPLMEMZ-UHFFFAOYSA-N 0 0 305.399 3.481 20 10 DGCDRN Cc1cc(C(=O)N[C@H](CO)C(C)C)c(C)n1-c1cccc(C)c1 ZINC000770432606 622633598 /nfs/dbraw/zinc/63/35/98/622633598.db2.gz YVEWAZKMQIELPH-GOSISDBHSA-N 0 0 314.429 3.149 20 10 DGCDRN Cc1cc(C(=O)NC(C)(C)[C@@H](C)O)c(C)n1-c1ccc(F)cc1 ZINC000770439355 622634448 /nfs/dbraw/zinc/63/44/48/622634448.db2.gz CSUDDDRUMPDDJG-CYBMUJFWSA-N 0 0 318.392 3.122 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccccc2OC(C)C)c(O)c1O ZINC000770486475 622638176 /nfs/dbraw/zinc/63/81/76/622638176.db2.gz KZKDRWFYXIXSLV-UHFFFAOYSA-N 0 0 315.369 3.123 20 10 DGCDRN CC(C)(C(=O)NCCCSc1nccs1)c1cccnc1 ZINC000770490771 622639026 /nfs/dbraw/zinc/63/90/26/622639026.db2.gz PIZYBANTTUWLCG-UHFFFAOYSA-N 0 0 321.471 3.114 20 10 DGCDRN Cc1nc(C(=O)NCc2c(O)ccc3c2CCCC3)sc1C ZINC000770546052 622643702 /nfs/dbraw/zinc/64/37/02/622643702.db2.gz PYFBUJNYHCFPFM-UHFFFAOYSA-N 0 0 316.426 3.274 20 10 DGCDRN C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC12CCC2 ZINC000770715341 622663284 /nfs/dbraw/zinc/66/32/84/622663284.db2.gz DZCBREZPQIIZQS-HNNXBMFYSA-N 0 0 315.461 3.474 20 10 DGCDRN CCC1(CC)[C@H](NC(=O)N(C)Cc2ccccc2O)C[C@H]1OC ZINC000123734057 622665492 /nfs/dbraw/zinc/66/54/92/622665492.db2.gz DMMBXMOJXWXWKO-HZPDHXFCSA-N 0 0 320.433 3.127 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CC23CCCCC3)cc1F ZINC000770804445 622671383 /nfs/dbraw/zinc/67/13/83/622671383.db2.gz JZPALPPCBVKUJG-MRXNPFEDSA-N 0 0 319.424 3.414 20 10 DGCDRN C[C@@H]1CN(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)[C@H]1C ZINC000888585563 622677977 /nfs/dbraw/zinc/67/79/77/622677977.db2.gz MZQABQLUNCIVEG-OLZOCXBDSA-N 0 0 321.384 3.268 20 10 DGCDRN Cc1cccc([C@H](C)NC(=O)c2c(F)ccc(O)c2O)c1C ZINC000789980280 625590522 /nfs/dbraw/zinc/59/05/22/625590522.db2.gz YUVGRAQDISRVEE-NSHDSACASA-N 0 0 303.333 3.345 20 10 DGCDRN Cc1cnc([C@@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000771445570 622760540 /nfs/dbraw/zinc/76/05/40/622760540.db2.gz WVZRXSISIJVBIX-OAHLLOKOSA-N 0 0 315.417 3.013 20 10 DGCDRN C[C@@H](NC(=O)c1c[nH]nc1-c1ccoc1)c1ccc(N(C)C)cc1 ZINC000790035839 625595366 /nfs/dbraw/zinc/59/53/66/625595366.db2.gz MFKVTYAJWRFFEX-GFCCVEGCSA-N 0 0 324.384 3.227 20 10 DGCDRN COc1ccc(N2CCN(C(=O)/C(C)=C\C(C)(C)C)CC2)cc1 ZINC000771869210 622807053 /nfs/dbraw/zinc/80/70/53/622807053.db2.gz VIHGLUHWIOQSRV-PFONDFGASA-N 0 0 316.445 3.336 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccoc1 ZINC000772006147 622832715 /nfs/dbraw/zinc/83/27/15/622832715.db2.gz TYYCQFJIJABLAE-UHFFFAOYSA-N 0 0 300.402 3.325 20 10 DGCDRN COc1cc(NCc2ccc(N3CCC(C)CC3)cc2)ncn1 ZINC000772047689 622840041 /nfs/dbraw/zinc/84/00/41/622840041.db2.gz MFJQHAASGYZXHO-UHFFFAOYSA-N 0 0 312.417 3.334 20 10 DGCDRN CN(C(=O)/C=C\c1cnn(C)c1)c1c(Cl)cccc1Cl ZINC000772353694 622888628 /nfs/dbraw/zinc/88/86/28/622888628.db2.gz APJDHLHYISYXJW-SREVYHEPSA-N 0 0 310.184 3.403 20 10 DGCDRN COc1cc(C)c(NC(=O)NCc2ccccc2O)cc1C ZINC000772611305 622919162 /nfs/dbraw/zinc/91/91/62/622919162.db2.gz FHNKJYWEJUWXTN-UHFFFAOYSA-N 0 0 300.358 3.339 20 10 DGCDRN O=c1[nH]nc(Cl)cc1NCc1c(O)ccc2c1CCCC2 ZINC000872468605 622919921 /nfs/dbraw/zinc/91/99/21/622919921.db2.gz VUVGMZLQLZCAJT-UHFFFAOYSA-N 0 0 305.765 3.032 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccnn2CC)cc1 ZINC000772850974 622948143 /nfs/dbraw/zinc/94/81/43/622948143.db2.gz RQRPSAPAGNRZCW-UHFFFAOYSA-N 0 0 314.433 3.021 20 10 DGCDRN C[C@@H](NC(=O)COc1ccccc1F)c1ccc(N(C)C)cc1 ZINC000773001571 622964393 /nfs/dbraw/zinc/96/43/93/622964393.db2.gz VAPIHZPPJNNWEF-CYBMUJFWSA-N 0 0 316.376 3.148 20 10 DGCDRN C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 ZINC000773010990 622966002 /nfs/dbraw/zinc/96/60/02/622966002.db2.gz VGAPTIDUWBYDIB-SNVBAGLBSA-N 0 0 319.386 3.213 20 10 DGCDRN C[C@@H](NC(=O)CCOc1ccccc1)c1ccc(N(C)C)cc1 ZINC000773010324 622966431 /nfs/dbraw/zinc/96/64/31/622966431.db2.gz TUZVPFNTQZWEKW-OAHLLOKOSA-N 0 0 312.413 3.399 20 10 DGCDRN Cc1c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cnn1C(C)C ZINC000773017809 622968366 /nfs/dbraw/zinc/96/83/66/622968366.db2.gz FXZSYHTVRQODDC-ZDUSSCGKSA-N 0 0 314.433 3.329 20 10 DGCDRN C[C@H](NC(=O)c1scnc1Cl)c1ccc(N(C)C)cc1 ZINC000773019504 622968763 /nfs/dbraw/zinc/96/87/63/622968763.db2.gz YAFXXAYBZCXAIG-VIFPVBQESA-N 0 0 309.822 3.354 20 10 DGCDRN COc1ccc(F)cc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773019320 622969363 /nfs/dbraw/zinc/96/93/63/622969363.db2.gz KKKJQCRFLYYUAL-LBPRGKRZSA-N 0 0 316.376 3.391 20 10 DGCDRN C[C@@H](NC(=O)CCc1cscn1)c1ccc(N(C)C)cc1 ZINC000773023856 622969372 /nfs/dbraw/zinc/96/93/72/622969372.db2.gz KSYYPOGVLPNTNT-GFCCVEGCSA-N 0 0 303.431 3.019 20 10 DGCDRN COc1ccsc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773026739 622969918 /nfs/dbraw/zinc/96/99/18/622969918.db2.gz TXNLOINYIRTYJO-NSHDSACASA-N 0 0 304.415 3.314 20 10 DGCDRN Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000773089069 622981827 /nfs/dbraw/zinc/98/18/27/622981827.db2.gz RBRRAVDUEUAJCN-GFCCVEGCSA-N 0 0 324.471 3.162 20 10 DGCDRN CS[C@@H]1CC[C@@H](NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773337568 623014229 /nfs/dbraw/zinc/01/42/29/623014229.db2.gz AZDVQCFVJUSOJN-XNRPHZJLSA-N 0 0 321.490 3.397 20 10 DGCDRN C[C@H](NC(=O)NCCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773341494 623015503 /nfs/dbraw/zinc/01/55/03/623015503.db2.gz UXULONAOBWKLOH-JTQLQIEISA-N 0 0 303.328 3.065 20 10 DGCDRN CC[C@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@H]1CCCO1 ZINC000773413238 623024059 /nfs/dbraw/zinc/02/40/59/623024059.db2.gz GLMYPWLZZDWQQZ-RRQGHBQHSA-N 0 0 319.449 3.070 20 10 DGCDRN C[C@@H](NC(=O)N[C@H]1CCOC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000773417686 623025090 /nfs/dbraw/zinc/02/50/90/623025090.db2.gz LLOGBMMLQSERJN-HIFRSBDPSA-N 0 0 319.449 3.070 20 10 DGCDRN C[C@H](NC(=O)NC1C[C@@H](C)O[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773428301 623025991 /nfs/dbraw/zinc/02/59/91/623025991.db2.gz LMAQTHDGZMZYLX-MCIONIFRSA-N 0 0 319.449 3.069 20 10 DGCDRN COc1ccc(CN[C@@H]2CCCC2(F)F)cc1Cn1cccn1 ZINC000873126597 623041954 /nfs/dbraw/zinc/04/19/54/623041954.db2.gz JEMDKOVQWDCGEX-MRXNPFEDSA-N 0 0 321.371 3.217 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C23CC(c4ccccc4)(C2)C3)cc1 ZINC000790199941 625616277 /nfs/dbraw/zinc/61/62/77/625616277.db2.gz OLGYXKBUZYDPQF-UHFFFAOYSA-N 0 0 320.436 3.491 20 10 DGCDRN C[C@H](NC(=O)N1C[C@H](C)OC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000773610012 623050433 /nfs/dbraw/zinc/05/04/33/623050433.db2.gz BTAFVGSSTJOWIX-KBPBESRZSA-N 0 0 319.449 3.023 20 10 DGCDRN C[C@H](NC(=O)N1C[C@@H](C)S[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773624473 623052279 /nfs/dbraw/zinc/05/22/79/623052279.db2.gz MOEGYEHZLSWTRP-MJBXVCDLSA-N 0 0 321.490 3.349 20 10 DGCDRN CC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000773623370 623052465 /nfs/dbraw/zinc/05/24/65/623052465.db2.gz HUTYISRCBOIGKP-JJRVBVJISA-N 0 0 319.449 3.023 20 10 DGCDRN Cc1cccc([C@@H](C)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000773748295 623066642 /nfs/dbraw/zinc/06/66/42/623066642.db2.gz JLUXKJWPLAJLHL-ZIAGYGMSSA-N 0 0 313.397 3.257 20 10 DGCDRN CN(C)c1ccc(/C=C\C[N@@H+]2CCOc3cc(N)ccc3C2)cc1 ZINC000873219101 623077998 /nfs/dbraw/zinc/07/79/98/623077998.db2.gz VNDRRYUOHHXUIN-ARJAWSKDSA-N 0 0 323.440 3.243 20 10 DGCDRN Cc1csc([C@@H]2CCN(C(=O)Nc3ccc(N)cc3)C2)n1 ZINC000873327482 623113241 /nfs/dbraw/zinc/11/32/41/623113241.db2.gz HZQWCXQPFMTTIS-LLVKDONJSA-N 0 0 302.403 3.055 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CC[C@H](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000774887190 623204910 /nfs/dbraw/zinc/20/49/10/623204910.db2.gz PJFYKMJHDUWALH-GFCCVEGCSA-N 0 0 308.378 3.177 20 10 DGCDRN COc1ccc(N2CCN(C(=O)CC(C)=C(C)C)CC2)cc1 ZINC000873778809 623211588 /nfs/dbraw/zinc/21/15/88/623211588.db2.gz KKOXTFOTZVWKOE-UHFFFAOYSA-N 0 0 302.418 3.090 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000775014829 623216568 /nfs/dbraw/zinc/21/65/68/623216568.db2.gz QHWLAWUHTXYGAH-SGMGOOAPSA-N 0 0 320.389 3.367 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000775016094 623217154 /nfs/dbraw/zinc/21/71/54/623217154.db2.gz NZTATAILVIYSHS-DMDPSCGWSA-N 0 0 308.378 3.223 20 10 DGCDRN COc1c([O-])c(C[NH2+]C2(C)CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000775031791 623219106 /nfs/dbraw/zinc/21/91/06/623219106.db2.gz SNELFERIVWGEQB-UHFFFAOYSA-N 0 0 308.378 3.367 20 10 DGCDRN COc1c([O-])c(C[NH2+]C(C)(C)CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000775098033 623230482 /nfs/dbraw/zinc/23/04/82/623230482.db2.gz PBACSEQTVFGGSH-UHFFFAOYSA-N 0 0 322.283 3.130 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2C[C@H](C)C[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775111669 623232145 /nfs/dbraw/zinc/23/21/45/623232145.db2.gz OAJYHSDIPFSPFN-WOPDTQHZSA-N 0 0 308.378 3.175 20 10 DGCDRN CC(C)=C(C)CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000874197211 623248530 /nfs/dbraw/zinc/24/85/30/623248530.db2.gz LPUHBZSYNAUBGB-MRXNPFEDSA-N 0 0 316.445 3.447 20 10 DGCDRN C[C@H](NC(=O)C(=O)Nc1ccc(C2CC2)cc1)c1ccccc1O ZINC000874192215 623248550 /nfs/dbraw/zinc/24/85/50/623248550.db2.gz GSDJVYXBZLKAKT-LBPRGKRZSA-N 0 0 324.380 3.086 20 10 DGCDRN C[C@H](NC(=O)/C=C/c1ccc(O)cc1)c1ccc(N(C)C)cc1 ZINC000775402565 623269712 /nfs/dbraw/zinc/26/97/12/623269712.db2.gz HFWAMNOHLBZFON-BLXFFLACSA-N 0 0 310.397 3.349 20 10 DGCDRN Cc1cccnc1/C=C/C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775404306 623269752 /nfs/dbraw/zinc/26/97/52/623269752.db2.gz MOAMTPVXLRVSOA-RUMSDORHSA-N 0 0 309.413 3.347 20 10 DGCDRN CC(=O)c1ccc(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775411133 623271216 /nfs/dbraw/zinc/27/12/16/623271216.db2.gz OUVFKCXRWYGMJO-CQSZACIVSA-N 0 0 324.424 3.375 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@](C)(O)COC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775503121 623281354 /nfs/dbraw/zinc/28/13/54/623281354.db2.gz BQGBGCUFKLIMNX-BXUZGUMPSA-N 0 0 322.232 3.137 20 10 DGCDRN Cc1cc(Cl)cc(CN2CCN(Cc3ccco3)CC2)c1O ZINC000775644474 623302050 /nfs/dbraw/zinc/30/20/50/623302050.db2.gz INXUAURPFYLLMI-UHFFFAOYSA-N 0 0 320.820 3.265 20 10 DGCDRN CCOC(=O)[C@H]1CCCCN1Cc1cc(Cl)cc(C)c1O ZINC000775643611 623302089 /nfs/dbraw/zinc/30/20/89/623302089.db2.gz SPDZNKPQUQSZBU-CQSZACIVSA-N 0 0 311.809 3.272 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000775657868 623306613 /nfs/dbraw/zinc/30/66/13/623306613.db2.gz ALUYZZYFQCTEMQ-JTQLQIEISA-N 0 0 309.772 3.287 20 10 DGCDRN CCOC(=O)CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000775662302 623308740 /nfs/dbraw/zinc/30/87/40/623308740.db2.gz DQSACMVSTCYDJL-UHFFFAOYSA-N 0 0 315.772 3.102 20 10 DGCDRN C[C@H](NC(=O)Nc1cccc(F)n1)c1ccc(N(C)C)cc1 ZINC000775787957 623332092 /nfs/dbraw/zinc/33/20/92/623332092.db2.gz BZJVJUCIDGLPMI-NSHDSACASA-N 0 0 302.353 3.169 20 10 DGCDRN CCCCc1nc(CN[C@H](C)c2ccc(N(C)C)cc2)no1 ZINC000775830718 623338572 /nfs/dbraw/zinc/33/85/72/623338572.db2.gz MQPZCDKYAGURPY-CYBMUJFWSA-N 0 0 302.422 3.329 20 10 DGCDRN Cc1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C)c(O)c1O ZINC000775939340 623354830 /nfs/dbraw/zinc/35/48/30/623354830.db2.gz DIROUZBWKSXPIU-MWLCHTKSSA-N 0 0 317.307 3.209 20 10 DGCDRN COc1ccc(NC(=S)NCc2ccc(Cl)cn2)cc1 ZINC000776196074 623395177 /nfs/dbraw/zinc/39/51/77/623395177.db2.gz VKDYOIGWFSBPNG-UHFFFAOYSA-N 0 0 307.806 3.230 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC1(O)CCCCCC1 ZINC000776208861 623396662 /nfs/dbraw/zinc/39/66/62/623396662.db2.gz IRXLPQOLMHNGPV-UHFFFAOYSA-N 0 0 301.789 3.360 20 10 DGCDRN CC(C)(C)OC(=O)CC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776215859 623398503 /nfs/dbraw/zinc/39/85/03/623398503.db2.gz IOGRLFYRAACRPS-UHFFFAOYSA-N 0 0 303.761 3.006 20 10 DGCDRN CC1(C)[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])[C@@H]2CCCO[C@@H]21 ZINC000776223536 623399272 /nfs/dbraw/zinc/39/92/72/623399272.db2.gz JJGPEYWKCSFTOZ-GLQYFDAESA-N 0 0 313.800 3.478 20 10 DGCDRN C[C@H](NC(=O)N(C)Cc1ccccn1)c1ccc(N(C)C)cc1 ZINC000776237806 623401004 /nfs/dbraw/zinc/40/10/04/623401004.db2.gz ISQLPCXCPWFEMY-AWEZNQCLSA-N 0 0 312.417 3.050 20 10 DGCDRN CO[C@H](C)CN(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000776237577 623401122 /nfs/dbraw/zinc/40/11/22/623401122.db2.gz CFQYQBUFBWKKNL-CABCVRRESA-N 0 0 321.465 3.269 20 10 DGCDRN C[C@H](CCc1ccccc1)NC(=O)N1Cc2cccc(O)c2C1 ZINC000874983171 623403624 /nfs/dbraw/zinc/40/36/24/623403624.db2.gz KDGNDGBIRZKZRH-CQSZACIVSA-N 0 0 310.397 3.439 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)[C@@H]3CC[C@H](C)C3)CC2)cc1 ZINC000776318202 623411447 /nfs/dbraw/zinc/41/14/47/623411447.db2.gz ZQIHELBTGGULPK-LSDHHAIUSA-N 0 0 316.445 3.216 20 10 DGCDRN CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1cccc(O)c1O ZINC000776347261 623414914 /nfs/dbraw/zinc/41/49/14/623414914.db2.gz AGBFWNDORVVNDK-HNNXBMFYSA-N 0 0 317.360 3.234 20 10 DGCDRN O=C(Nc1ccc(Nc2ccccc2)nc1)c1cccc(O)c1O ZINC000776344845 623415163 /nfs/dbraw/zinc/41/51/63/623415163.db2.gz XZNRDDHHHQKSPE-UHFFFAOYSA-N 0 0 321.336 3.489 20 10 DGCDRN O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)c1cccc(O)c1O ZINC000776351193 623415901 /nfs/dbraw/zinc/41/59/01/623415901.db2.gz UXLHSLSCYJCCSA-HOCLYGCPSA-N 0 0 311.381 3.239 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@]12C[C@H]1CCCC2 ZINC000875099860 623416669 /nfs/dbraw/zinc/41/66/69/623416669.db2.gz ZZTSFTNGQCNADW-VQIMIIECSA-N 0 0 313.445 3.419 20 10 DGCDRN O=C(N[C@@H]1CCc2cc(F)ccc21)N1Cc2cccc(O)c2C1 ZINC000875145521 623421484 /nfs/dbraw/zinc/42/14/84/623421484.db2.gz NGIOMYVTIWIKFZ-MRXNPFEDSA-N 0 0 312.344 3.244 20 10 DGCDRN O=C(N[C@@H]1CCCOc2ccccc21)N1Cc2cccc(O)c2C1 ZINC000875195674 623426393 /nfs/dbraw/zinc/42/63/93/623426393.db2.gz PTRNUNHGXZROSG-MRXNPFEDSA-N 0 0 324.380 3.331 20 10 DGCDRN CC[C@H](NC(=O)NCc1cc(C)ccc1O)c1nc(C)cs1 ZINC000875242316 623430058 /nfs/dbraw/zinc/43/00/58/623430058.db2.gz MBQIFOCKNOQZAK-ZDUSSCGKSA-N 0 0 319.430 3.416 20 10 DGCDRN O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N1Cc2cccc(O)c2C1 ZINC000875391214 623445445 /nfs/dbraw/zinc/44/54/45/623445445.db2.gz NWMWQYUGHDJIBQ-FCEWJHQRSA-N 0 0 320.392 3.003 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[NH2+]C2(CO)CCCCC2)c1[O-] ZINC000776591716 623445477 /nfs/dbraw/zinc/44/54/77/623445477.db2.gz UVYSFYTYGDCMGH-UHFFFAOYSA-N 0 0 311.809 3.033 20 10 DGCDRN CC(C)C[C@H]1OCCC[C@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000875509773 623457350 /nfs/dbraw/zinc/45/73/50/623457350.db2.gz ZSAFMZHWLGWLAU-NVXWUHKLSA-N 0 0 318.417 3.011 20 10 DGCDRN CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000875509774 623457503 /nfs/dbraw/zinc/45/75/03/623457503.db2.gz ZSAFMZHWLGWLAU-RDJZCZTQSA-N 0 0 318.417 3.011 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H](CC(F)(F)F)C(C)C)c1 ZINC000875520399 623459495 /nfs/dbraw/zinc/45/94/95/623459495.db2.gz HGSJYRDWQJDSEA-GFCCVEGCSA-N 0 0 318.339 3.477 20 10 DGCDRN CC(=O)c1ccc(C(=O)NCc2ccc(N(C)C)cc2)c(F)c1 ZINC000776752763 623459862 /nfs/dbraw/zinc/45/98/62/623459862.db2.gz OXQKTHIFUKHRKA-UHFFFAOYSA-N 0 0 314.360 3.024 20 10 DGCDRN O=C(NC[C@H]1CCCCC1(F)F)N1Cc2cccc(O)c2C1 ZINC000875628086 623472712 /nfs/dbraw/zinc/47/27/12/623472712.db2.gz GQSAAGJIQPISHO-GFCCVEGCSA-N 0 0 310.344 3.243 20 10 DGCDRN CCO[C@@H]1CCCC[C@H]1NC(=O)N[C@H](C)c1ccccc1O ZINC000875655581 623475755 /nfs/dbraw/zinc/47/57/55/623475755.db2.gz FUWAPSMVZNDWPT-XNRPHZJLSA-N 0 0 306.406 3.100 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1COCc2ccccc21)c1ccccc1O ZINC000875675816 623478618 /nfs/dbraw/zinc/47/86/18/623478618.db2.gz YCVNLMSRGVIDSK-BLLLJJGKSA-N 0 0 312.369 3.024 20 10 DGCDRN CCC(F)(F)C(C)(C)CNC(=O)N1Cc2cccc(O)c2C1 ZINC000875844417 623499625 /nfs/dbraw/zinc/49/96/25/623499625.db2.gz JVWRWHWOTKPLCW-UHFFFAOYSA-N 0 0 312.360 3.489 20 10 DGCDRN O=C(N[C@@H]1C[C@H]1c1ccsc1)N1Cc2cccc(O)c2C1 ZINC000875870156 623501554 /nfs/dbraw/zinc/50/15/54/623501554.db2.gz LTPQFRDKTYJNOV-GXTWGEPZSA-N 0 0 300.383 3.035 20 10 DGCDRN CSc1ccccc1CC(=O)N(C)Cc1ccccc1O ZINC000777415294 623522679 /nfs/dbraw/zinc/52/26/79/623522679.db2.gz TXOLMFHTKSHVNI-UHFFFAOYSA-N 0 0 301.411 3.315 20 10 DGCDRN COc1cc2c(cc1F)CN(Cc1c(O)cccc1OC)CC2 ZINC000777440932 623525918 /nfs/dbraw/zinc/52/59/18/623525918.db2.gz UGKVIWATXCEEHA-UHFFFAOYSA-N 0 0 317.360 3.107 20 10 DGCDRN C[C@@H](NCc1noc(C(C)(C)C)n1)c1ccc(N(C)C)cc1 ZINC000777584585 623545462 /nfs/dbraw/zinc/54/54/62/623545462.db2.gz SPCDCZUNKDKXPA-GFCCVEGCSA-N 0 0 302.422 3.284 20 10 DGCDRN C[C@H](NCc1noc(C(C)(C)C)n1)c1ccc(N(C)C)cc1 ZINC000777584586 623545777 /nfs/dbraw/zinc/54/57/77/623545777.db2.gz SPCDCZUNKDKXPA-LBPRGKRZSA-N 0 0 302.422 3.284 20 10 DGCDRN Cc1ccc(/C=C/C(=O)NCCCSc2nccs2)cn1 ZINC000777860469 623577256 /nfs/dbraw/zinc/57/72/56/623577256.db2.gz NYRPCSDOTCQGCY-AATRIKPKSA-N 0 0 319.455 3.158 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1N(C)CCCC1(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000790497197 625661656 /nfs/dbraw/zinc/66/16/56/625661656.db2.gz LTWBPAAHHLAYCF-BLLLJJGKSA-N 0 0 321.421 3.071 20 10 DGCDRN Cc1cc(C(=O)N(C)C[C@H](C)O)c(C)n1-c1ccc(Cl)cc1 ZINC000125896737 623595291 /nfs/dbraw/zinc/59/52/91/623595291.db2.gz BDLQGATTYRVYOG-LBPRGKRZSA-N 0 0 320.820 3.200 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2ccc(F)c(Cl)c2)c1 ZINC000125925225 623605920 /nfs/dbraw/zinc/60/59/20/623605920.db2.gz DMPXDXJBFGKDCY-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN CC[C@H]([NH2+]CC[C@H](C)[S@@](C)=O)c1cccc(Cl)c1[O-] ZINC000806147983 623614416 /nfs/dbraw/zinc/61/44/16/623614416.db2.gz BRPSNXCNBWVZDV-WSHAHDTKSA-N 0 0 303.855 3.243 20 10 DGCDRN CC[C@@H](CO)NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000778229600 623629427 /nfs/dbraw/zinc/62/94/27/623629427.db2.gz ACSCAUGMZZLEDR-INIZCTEOSA-N 0 0 314.429 3.212 20 10 DGCDRN COc1cc(C[N@H+](C)Cc2ccc(F)c(F)c2[O-])cc(OC)c1 ZINC000876596539 623655679 /nfs/dbraw/zinc/65/56/79/623655679.db2.gz AGXJLJAYBRULAD-UHFFFAOYSA-N 0 0 323.339 3.320 20 10 DGCDRN [O-]c1c(CN2CCC[N@@H+](C3CCCC3)CC2)ccc(F)c1F ZINC000876656393 623672345 /nfs/dbraw/zinc/67/23/45/623672345.db2.gz NITCBBSRXUHOEK-UHFFFAOYSA-N 0 0 310.388 3.121 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1ccc(-c2ccco2)s1 ZINC000778925879 623711740 /nfs/dbraw/zinc/71/17/40/623711740.db2.gz PMLZGISLYCQXFM-UHFFFAOYSA-N 0 0 315.350 3.349 20 10 DGCDRN Cc1cccc(C2(C(=O)NCc3ccc(O)c(O)c3)CCC2)c1 ZINC000778927939 623712887 /nfs/dbraw/zinc/71/28/87/623712887.db2.gz XCDVVKHDEFATFV-UHFFFAOYSA-N 0 0 311.381 3.144 20 10 DGCDRN COc1ccc2c(c1)CCCCN2Cc1ncnn1CC(C)C ZINC000778955011 623715137 /nfs/dbraw/zinc/71/51/37/623715137.db2.gz LURZQWSTJFIEEW-UHFFFAOYSA-N 0 0 314.433 3.286 20 10 DGCDRN Cc1cccc(O)c1CNc1ccc(CN2CCCC2=O)cc1 ZINC000876822156 623718878 /nfs/dbraw/zinc/71/88/78/623718878.db2.gz QTBNWAIWJTZGEB-UHFFFAOYSA-N 0 0 310.397 3.435 20 10 DGCDRN Cc1cccc(O)c1CNc1ccc(CN2CCOCC2)cc1 ZINC000876838799 623725360 /nfs/dbraw/zinc/72/53/60/623725360.db2.gz NESSYKKGWOWPDK-UHFFFAOYSA-N 0 0 312.413 3.145 20 10 DGCDRN Cc1cccc(O)c1CNc1cc(F)cc(N2CCOCC2)c1 ZINC000876855851 623729770 /nfs/dbraw/zinc/72/97/70/623729770.db2.gz DPHRVJQPMWHZGB-UHFFFAOYSA-N 0 0 316.376 3.288 20 10 DGCDRN Cc1ccc(O)c(CN2CCc3c(ncn3-c3ccccc3)C2)c1 ZINC000779143692 623734202 /nfs/dbraw/zinc/73/42/02/623734202.db2.gz NKDKBEADRCYZRV-UHFFFAOYSA-N 0 0 319.408 3.445 20 10 DGCDRN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@H]1CCCC[C@H]1O ZINC000779154991 623735534 /nfs/dbraw/zinc/73/55/34/623735534.db2.gz XVRDFQAPQLYSJS-QMTHXVAHSA-N 0 0 301.789 3.168 20 10 DGCDRN COc1ccc(O)c(CN2CCN(C3CC3)c3ccccc32)c1 ZINC000779226226 623745058 /nfs/dbraw/zinc/74/50/58/623745058.db2.gz PRGYZGFLWLMVLB-UHFFFAOYSA-N 0 0 310.397 3.390 20 10 DGCDRN [O-]c1c(C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)ccc(F)c1F ZINC000876928780 623746781 /nfs/dbraw/zinc/74/67/81/623746781.db2.gz CRSDPRWIGSQYJP-ZDUSSCGKSA-N 0 0 318.367 3.287 20 10 DGCDRN CC[C@@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1cccc(Cl)c1[O-] ZINC000806148082 623747335 /nfs/dbraw/zinc/74/73/35/623747335.db2.gz QHHDYKFCJBWNPC-SMDDNHRTSA-N 0 0 324.852 3.486 20 10 DGCDRN COC(=O)c1ccc(NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000779432176 623769382 /nfs/dbraw/zinc/76/93/82/623769382.db2.gz MSYRKUXVAYJUMO-UHFFFAOYSA-N 0 0 302.349 3.290 20 10 DGCDRN Cc1ccc(/C=C/C(=O)N2CCN(C)c3ccc(F)cc32)cn1 ZINC000779472762 623773195 /nfs/dbraw/zinc/77/31/95/623773195.db2.gz HTSHTBGKAXFBOJ-VMPITWQZSA-N 0 0 311.360 3.025 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCC1(c2ccccc2)CCC1 ZINC000779474535 623773478 /nfs/dbraw/zinc/77/34/78/623773478.db2.gz AOSRJDVZKUYHLI-NTMALXAHSA-N 0 0 323.392 3.349 20 10 DGCDRN C[C@@H]1CCC[C@@H](CCNC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000779517631 623776772 /nfs/dbraw/zinc/77/67/72/623776772.db2.gz CGEAABCNJQCRLH-APMKWMSLSA-N 0 0 303.402 3.444 20 10 DGCDRN Cc1cccc2c1CC[C@H]2NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779514864 623776837 /nfs/dbraw/zinc/77/68/37/623776837.db2.gz NKVMEUVQWOQSMX-CXSQMQJXSA-N 0 0 309.365 3.223 20 10 DGCDRN C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779527187 623777465 /nfs/dbraw/zinc/77/74/65/623777465.db2.gz CNHCIJSXXZVVTK-OJWNKBRNSA-N 0 0 303.402 3.442 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H]1c1cccc(F)c1 ZINC000779526685 623777532 /nfs/dbraw/zinc/77/75/32/623777532.db2.gz XFUSJHFMMNFRNN-ZKKXHLJNSA-N 0 0 313.328 3.224 20 10 DGCDRN CN(C(=O)C(C)(C)COCc1ccccc1)c1ccc(N)cc1 ZINC000877075850 623785356 /nfs/dbraw/zinc/78/53/56/623785356.db2.gz JRAXXYORSYPFFW-UHFFFAOYSA-N 0 0 312.413 3.475 20 10 DGCDRN CN(C(=O)[C@H]1SCCc2sccc21)c1ccc(N)cc1 ZINC000877078009 623785700 /nfs/dbraw/zinc/78/57/00/623785700.db2.gz YXMIFNBDIOONLO-AWEZNQCLSA-N 0 0 304.440 3.324 20 10 DGCDRN CC(C)c1nn(C)c(Cl)c1C(=O)N(C)c1ccc(N)cc1 ZINC000877077931 623785981 /nfs/dbraw/zinc/78/59/81/623785981.db2.gz WRLDYYGAHCTORH-UHFFFAOYSA-N 0 0 306.797 3.056 20 10 DGCDRN CCC(CC)n1nc(C(=O)N(C)c2ccc(N)cc2)cc1C ZINC000877076984 623786115 /nfs/dbraw/zinc/78/61/15/623786115.db2.gz ZNTQJBQWDLYGNC-UHFFFAOYSA-N 0 0 300.406 3.411 20 10 DGCDRN Nc1ccc(CC(=O)NCC2(C(F)(F)F)CCCC2)cc1 ZINC000877082050 623786730 /nfs/dbraw/zinc/78/67/30/623786730.db2.gz LWOVHZNSFQDDML-UHFFFAOYSA-N 0 0 300.324 3.050 20 10 DGCDRN CN(C)[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])c1ccccc1 ZINC000877142778 623805515 /nfs/dbraw/zinc/80/55/15/623805515.db2.gz WBXFNMBQZDYAGH-HNNXBMFYSA-N 0 0 306.356 3.063 20 10 DGCDRN OC1CCN(c2ccc(CNc3ccc(Cl)nc3)cc2)CC1 ZINC000877166444 623813952 /nfs/dbraw/zinc/81/39/52/623813952.db2.gz AFSQRRNSRYYFAA-UHFFFAOYSA-N 0 0 317.820 3.308 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)ccc(F)c1F ZINC000877195347 623824775 /nfs/dbraw/zinc/82/47/75/623824775.db2.gz JGKXEUVUVWLQCZ-ZDUSSCGKSA-N 0 0 304.340 3.130 20 10 DGCDRN CC(C)Oc1cc(NC(=O)N(C)Cc2ccccc2O)ccn1 ZINC000779927817 623834784 /nfs/dbraw/zinc/83/47/84/623834784.db2.gz CWGFJUPLTWKVPY-UHFFFAOYSA-N 0 0 315.373 3.238 20 10 DGCDRN Cc1cccc(O)c1CNCc1cc(COC(C)(C)C)on1 ZINC000877425098 623876254 /nfs/dbraw/zinc/87/62/54/623876254.db2.gz YWJAFMVDODKBDN-UHFFFAOYSA-N 0 0 304.390 3.294 20 10 DGCDRN COC(=O)[C@@H](NCc1ccc(C)cc1O)c1ccc(C)c(C)c1 ZINC000877427590 623878058 /nfs/dbraw/zinc/87/80/58/623878058.db2.gz NFFYPZVMSJYMHR-SFHVURJKSA-N 0 0 313.397 3.321 20 10 DGCDRN O=C(Nc1cc(-c2ccccc2F)no1)c1cccc(O)c1O ZINC000790647852 625682980 /nfs/dbraw/zinc/68/29/80/625682980.db2.gz VEQKPPZXLMNZAW-UHFFFAOYSA-N 0 0 314.272 3.144 20 10 DGCDRN CO[C@@H](CN(C)c1ccc(OC(C)C)cc1)C1CCOCC1 ZINC000877477812 623900895 /nfs/dbraw/zinc/90/08/95/623900895.db2.gz HRHUQNFJWINBHC-SFHVURJKSA-N 0 0 307.434 3.352 20 10 DGCDRN Cc1cc(NS(=O)(=O)c2cccc(C(F)F)c2)ccc1O ZINC000780398770 623923353 /nfs/dbraw/zinc/92/33/53/623923353.db2.gz RFOIGUFBEGLMQB-UHFFFAOYSA-N 0 0 313.325 3.439 20 10 DGCDRN [O-]c1c(C[NH+]2CCC3(CCC(O)CC3)CC2)ccc(F)c1F ZINC000877556795 623940526 /nfs/dbraw/zinc/94/05/26/623940526.db2.gz JYCQWFQHJVSSKP-UHFFFAOYSA-N 0 0 311.372 3.188 20 10 DGCDRN Cc1ccc(CNc2ccc(C(N)=O)cc2OC(C)C)c(O)c1 ZINC000877597115 623956807 /nfs/dbraw/zinc/95/68/07/623956807.db2.gz ZZROIPVYTADQCX-UHFFFAOYSA-N 0 0 314.385 3.199 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)/C=C\c1cccc(O)c1 ZINC000780719088 623972521 /nfs/dbraw/zinc/97/25/21/623972521.db2.gz MJBUYVALDTVWPK-YFHOEESVSA-N 0 0 310.397 3.096 20 10 DGCDRN CC(=O)N[C@@H]1Cc2ccccc2N(Cc2cc(C)c(C)cc2O)C1 ZINC000780778912 623982529 /nfs/dbraw/zinc/98/25/29/623982529.db2.gz XZEZJKLRRHBHDP-GOSISDBHSA-N 0 0 324.424 3.076 20 10 DGCDRN CC/C(C)=C(/C)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000780859286 623990678 /nfs/dbraw/zinc/99/06/78/623990678.db2.gz YVNLXHGCPQHBQP-NXVVXOECSA-N 0 0 316.445 3.228 20 10 DGCDRN CN(C)c1ccc(CNc2ncnc3cccc([N+](=O)[O-])c32)cc1 ZINC000780906818 623996207 /nfs/dbraw/zinc/99/62/07/623996207.db2.gz PQURUYKZEMUMQE-UHFFFAOYSA-N 0 0 323.356 3.216 20 10 DGCDRN OCCCCOc1ccccc1CN1Cc2cccc(O)c2C1 ZINC000877703202 623998903 /nfs/dbraw/zinc/99/89/03/623998903.db2.gz VYGMDZCFRYOGMT-UHFFFAOYSA-N 0 0 313.397 3.059 20 10 DGCDRN Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(C)c(O)c2O)n1 ZINC000780983359 624007398 /nfs/dbraw/zinc/00/73/98/624007398.db2.gz MYKGTSHUUROSAA-HNNXBMFYSA-N 0 0 312.369 3.087 20 10 DGCDRN C[C@H](NC(=O)/C=C/c1cccc(O)c1)c1ccc(N(C)C)cc1 ZINC000781036177 624012087 /nfs/dbraw/zinc/01/20/87/624012087.db2.gz NVKJOHPAVXGLKQ-GMMCIKNFSA-N 0 0 310.397 3.349 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000877739348 624012184 /nfs/dbraw/zinc/01/21/84/624012184.db2.gz RUIMFLLEYRWRAT-GXSJLCMTSA-N 0 0 301.814 3.370 20 10 DGCDRN COC1CCC(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000781036603 624012340 /nfs/dbraw/zinc/01/23/40/624012340.db2.gz VIYYDVJMNRDWTK-KTAKPFMOSA-N 0 0 304.434 3.135 20 10 DGCDRN CC(=O)[C@@H]1C[C@H](C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1(C)C ZINC000781035665 624012356 /nfs/dbraw/zinc/01/23/56/624012356.db2.gz GMDOGDQEQNLABP-OAUYIBNBSA-N 0 0 316.445 3.181 20 10 DGCDRN C[N@@H+]1CC[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])CC[C@H]21 ZINC000877744637 624017004 /nfs/dbraw/zinc/01/70/04/624017004.db2.gz WFCGXPSRSSYFAC-QMTHXVAHSA-N 0 0 315.244 3.225 20 10 DGCDRN O=C1N[C@@H](c2ccc(Br)cc2O)Nc2ccccc21 ZINC000877842196 624065751 /nfs/dbraw/zinc/06/57/51/624065751.db2.gz ASMQCRLILOEVOL-ZDUSSCGKSA-N 0 0 319.158 3.009 20 10 DGCDRN COc1cccc2c1O[C@H](c1cc(Cl)c(F)cc1O)NC2=O ZINC000877842360 624066070 /nfs/dbraw/zinc/06/60/70/624066070.db2.gz HQHBMQOHDQSUHY-OAHLLOKOSA-N 0 0 323.707 3.014 20 10 DGCDRN CN1CCc2cc([C@H]3NC(C)(C)C(=O)N3c3ccccc3)ccc21 ZINC000877857304 624071493 /nfs/dbraw/zinc/07/14/93/624071493.db2.gz OHZWSLFDJOLYLY-SFHVURJKSA-N 0 0 321.424 3.093 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCCS1 ZINC000126851587 624140557 /nfs/dbraw/zinc/14/05/57/624140557.db2.gz KZHYMBZDFQPGDY-MRXNPFEDSA-N 0 0 321.490 3.180 20 10 DGCDRN C[C@H](c1cccnc1)N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000126865914 624143999 /nfs/dbraw/zinc/14/39/99/624143999.db2.gz AVIADGJIXNGWFK-CQSZACIVSA-N 0 0 312.417 3.050 20 10 DGCDRN CN(Cc1cn(C)nn1)c1ccc(OCc2ccccc2)cc1 ZINC000781960984 624180374 /nfs/dbraw/zinc/18/03/74/624180374.db2.gz PFTNJZUTNWOZDT-UHFFFAOYSA-N 0 0 308.385 3.031 20 10 DGCDRN COC(=O)[C@@H](C1CC1)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000782034550 624191820 /nfs/dbraw/zinc/19/18/20/624191820.db2.gz WCUSSEHGRVOFDX-GOSISDBHSA-N 0 0 316.445 3.060 20 10 DGCDRN CCOC(=O)c1ncc(CN(C)c2ccc(OC)c(F)c2)s1 ZINC000878187179 624207073 /nfs/dbraw/zinc/20/70/73/624207073.db2.gz RURAZBVYABJEDN-UHFFFAOYSA-N 0 0 324.377 3.104 20 10 DGCDRN CCN(CC)c1ccc(CNc2cc(COC)ncn2)cc1 ZINC000782141923 624208949 /nfs/dbraw/zinc/20/89/49/624208949.db2.gz LEMAHXMYPQTNQU-UHFFFAOYSA-N 0 0 300.406 3.081 20 10 DGCDRN CC(C)=C[C@H]1[C@@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)C1(C)C ZINC000782220941 624223197 /nfs/dbraw/zinc/22/31/97/624223197.db2.gz LGZUKMNFQSEEGM-LRDDRELGSA-N 0 0 318.369 3.062 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3CCOCC4(CC4)C3)c2c1 ZINC000782300603 624236055 /nfs/dbraw/zinc/23/60/55/624236055.db2.gz JELGWSYSLWYHIM-UHFFFAOYSA-N 0 0 313.397 3.166 20 10 DGCDRN Cc1coc(C(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000878292646 624237517 /nfs/dbraw/zinc/23/75/17/624237517.db2.gz PGXFEMKHSKOEJZ-UHFFFAOYSA-N 0 0 316.426 3.071 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cnc(C(C)C)s2)c1 ZINC000127038973 624239255 /nfs/dbraw/zinc/23/92/55/624239255.db2.gz ZQZYIMDUURDZNJ-SNVBAGLBSA-N 0 0 320.414 3.472 20 10 DGCDRN C[C@@H](NC(=O)N1C[C@@H](C)O[C@@H](C)[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000782623517 624268139 /nfs/dbraw/zinc/26/81/39/624268139.db2.gz YKFUZKZFYZCFGS-KBXIAJHMSA-N 0 0 319.449 3.021 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CCCc2ccsc2)cc1 ZINC000783032910 624302202 /nfs/dbraw/zinc/30/22/02/624302202.db2.gz AYJUJDRLGUWJBZ-UHFFFAOYSA-N 0 0 302.443 3.453 20 10 DGCDRN COc1cnccc1[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000783331294 624338320 /nfs/dbraw/zinc/33/83/20/624338320.db2.gz PJKFWSUUGNSRRU-WDEREUQCSA-N 0 0 317.345 3.116 20 10 DGCDRN C[C@H]1CCC[C@@H](CC(=O)OCC(=O)c2ccc(O)c(O)c2)C1 ZINC000783339250 624338844 /nfs/dbraw/zinc/33/88/44/624338844.db2.gz BRZYAVAQGNGZHU-NWDGAFQWSA-N 0 0 306.358 3.040 20 10 DGCDRN Cc1nn(C)c2ncc(NCc3c(O)cccc3Cl)cc12 ZINC000127285035 624345154 /nfs/dbraw/zinc/34/51/54/624345154.db2.gz UPAGKLSBFCZFNA-UHFFFAOYSA-N 0 0 302.765 3.248 20 10 DGCDRN CC[C@H](C)n1ncc(NC(=O)c2cccc(O)c2O)c1C1CC1 ZINC000790907572 625715401 /nfs/dbraw/zinc/71/54/01/625715401.db2.gz ITETURHDLDDXPH-JTQLQIEISA-N 0 0 315.373 3.395 20 10 DGCDRN COc1ccc(O)c(CNC(=O)CC(C)(C)CC(F)(F)F)c1 ZINC000878852250 624372707 /nfs/dbraw/zinc/37/27/07/624372707.db2.gz HTFPWMDQGBCVFF-UHFFFAOYSA-N 0 0 319.323 3.386 20 10 DGCDRN CCN1C(=O)/C(=C\c2cc(-n3ccnc3)cs2)SC1=S ZINC000783685229 624383226 /nfs/dbraw/zinc/38/32/26/624383226.db2.gz LEMCSJWRMVKVAZ-IZZDOVSWSA-N 0 0 321.452 3.155 20 10 DGCDRN C[C@@H]1CN(Cc2cc(Br)ccc2O)[C@@H](C)[C@H](C)O1 ZINC000783738884 624389932 /nfs/dbraw/zinc/38/99/32/624389932.db2.gz YHKIJZVYMDOLOE-VWYCJHECSA-N 0 0 314.223 3.152 20 10 DGCDRN CCCCCC[C@@H](C)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783864417 624401936 /nfs/dbraw/zinc/40/19/36/624401936.db2.gz JMUFASOJZWWAKG-GFCCVEGCSA-N 0 0 308.374 3.430 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cncc2[nH]ccc21 ZINC000878987145 624402046 /nfs/dbraw/zinc/40/20/46/624402046.db2.gz LSQDPACLDIVGGR-UHFFFAOYSA-N 0 0 321.380 3.077 20 10 DGCDRN COc1cccc2c1N(C(=O)/C=C/c1cnccc1C)CCC2 ZINC000783891506 624405876 /nfs/dbraw/zinc/40/58/76/624405876.db2.gz OHSGCFWGERIKAU-CMDGGOBGSA-N 0 0 308.381 3.391 20 10 DGCDRN O=C(CCCC1CCCC1)OCC(=O)c1ccc(O)c(O)c1 ZINC000783928771 624410021 /nfs/dbraw/zinc/41/00/21/624410021.db2.gz RWEMIENWOPSWQO-UHFFFAOYSA-N 0 0 306.358 3.184 20 10 DGCDRN CC(C)(CC(=O)NCCc1ccc(O)c(O)c1)CC(F)(F)F ZINC000879208168 624451613 /nfs/dbraw/zinc/45/16/13/624451613.db2.gz UGCWGFBCUUBTDT-UHFFFAOYSA-N 0 0 319.323 3.125 20 10 DGCDRN CSc1cccc(F)c1CNC(=O)NCc1ccccc1O ZINC000805759709 624503894 /nfs/dbraw/zinc/50/38/94/624503894.db2.gz ZUHXWYIPKMIIOI-UHFFFAOYSA-N 0 0 320.389 3.253 20 10 DGCDRN CC1(CC(=O)OCC(=O)c2ccc(O)c(O)c2)CCCCC1 ZINC000784360469 624509560 /nfs/dbraw/zinc/50/95/60/624509560.db2.gz KOBDHKIGMKAFDH-UHFFFAOYSA-N 0 0 306.358 3.184 20 10 DGCDRN CC1(C)CCC[C@H](CC(=O)OCC(=O)c2ccc(O)c(O)c2)C1 ZINC000784377631 624514265 /nfs/dbraw/zinc/51/42/65/624514265.db2.gz AFHQGLLACUGRMI-GFCCVEGCSA-N 0 0 320.385 3.430 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccccc2-c2cn[nH]c2)c(O)c1O ZINC000784477099 624529744 /nfs/dbraw/zinc/52/97/44/624529744.db2.gz WHFWYJCJCOHWCP-UHFFFAOYSA-N 0 0 309.325 3.049 20 10 DGCDRN C[C@H](OC(=O)c1cccc(O)c1O)C(=O)c1cccc(Cl)c1 ZINC000784796641 624582551 /nfs/dbraw/zinc/58/25/51/624582551.db2.gz BAMFBJHMWICDQM-VIFPVBQESA-N 0 0 320.728 3.179 20 10 DGCDRN CCCC(C)(C)CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000784888817 624593934 /nfs/dbraw/zinc/59/39/34/624593934.db2.gz JSFHAHULXFMPCD-UHFFFAOYSA-N 0 0 318.461 3.356 20 10 DGCDRN COc1cccc(CNC(=O)N[C@H]2CCCC(C)(C)C2)c1O ZINC000785906784 624754078 /nfs/dbraw/zinc/75/40/78/624754078.db2.gz NLVOHYAORYANOJ-ZDUSSCGKSA-N 0 0 306.406 3.169 20 10 DGCDRN CC[C@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(F)(F)F ZINC000786817756 624955911 /nfs/dbraw/zinc/95/59/11/624955911.db2.gz WBCBAVCKGRTBAH-MFKMUULPSA-N 0 0 317.355 3.454 20 10 DGCDRN CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])c1ccnn1C ZINC000788260116 625108455 /nfs/dbraw/zinc/10/84/55/625108455.db2.gz TXPRAEMNUFDNDA-IUODEOHRSA-N 0 0 305.397 3.355 20 10 DGCDRN CN(C)c1ccc(CNc2ncn(-c3ccccc3)n2)cc1F ZINC000788452359 625177134 /nfs/dbraw/zinc/17/71/34/625177134.db2.gz YIQVGMUBJDCTQK-UHFFFAOYSA-N 0 0 311.364 3.085 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2ncsc2C2CC2)c1 ZINC000881037470 625217050 /nfs/dbraw/zinc/21/70/50/625217050.db2.gz UJAAYPBLYMFOJY-UHFFFAOYSA-N 0 0 319.386 3.056 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cccc(C(F)(F)F)c1[O-] ZINC000788607658 625226678 /nfs/dbraw/zinc/22/66/78/625226678.db2.gz LYFYOKCYXBNCON-XDTLVQLUSA-N 0 0 303.324 3.365 20 10 DGCDRN O=C1NCCc2ccc(NCc3c(O)ccc(Cl)c3F)cc21 ZINC000790981335 625728711 /nfs/dbraw/zinc/72/87/11/625728711.db2.gz NHKHMEMJUQUDPW-UHFFFAOYSA-N 0 0 320.751 3.083 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000790986886 625731260 /nfs/dbraw/zinc/73/12/60/625731260.db2.gz YUBOVJFROHFIGD-ZDUSSCGKSA-N 0 0 323.795 3.268 20 10 DGCDRN C[C@H]1C[C@@H](CC[NH2+]Cc2c([O-])ccc(Cl)c2F)CCO1 ZINC000790986266 625731428 /nfs/dbraw/zinc/73/14/28/625731428.db2.gz LJEWPRGPIMVQBB-QWRGUYRKSA-N 0 0 301.789 3.480 20 10 DGCDRN CC1(c2cc(NC(=O)c3cccc(O)c3O)no2)CCCC1 ZINC000791001134 625735681 /nfs/dbraw/zinc/73/56/81/625735681.db2.gz WHUJSNGDCVDIJQ-UHFFFAOYSA-N 0 0 302.330 3.170 20 10 DGCDRN CC[C@H](C)n1ncc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1C ZINC000791582961 625830036 /nfs/dbraw/zinc/83/00/36/625830036.db2.gz KOLJSAPDPSUTDK-IOCXFXADSA-N 0 0 315.373 3.226 20 10 DGCDRN O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1Cc1ccon1 ZINC000130317336 625836646 /nfs/dbraw/zinc/83/66/46/625836646.db2.gz JIRAHQAAVFSPMZ-KPKJPENVSA-N 0 0 320.370 3.215 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])cn1 ZINC000882905775 625853004 /nfs/dbraw/zinc/85/30/04/625853004.db2.gz SZUGWXLLYAIBJH-UHFFFAOYSA-N 0 0 321.371 3.201 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000882990008 625888067 /nfs/dbraw/zinc/88/80/67/625888067.db2.gz RRFBZDAAQONVPJ-NSHDSACASA-N 0 0 305.324 3.326 20 10 DGCDRN CN(c1ccc(CNC(=O)CC(C)(C)O)cc1)C1CCCCC1 ZINC000792096159 625908934 /nfs/dbraw/zinc/90/89/34/625908934.db2.gz IECWEWGRJWWFOT-UHFFFAOYSA-N 0 0 318.461 3.233 20 10 DGCDRN COc1ccc(C[NH+](C)C)cc1NCc1cc(F)cc(F)c1O ZINC000883056042 625912204 /nfs/dbraw/zinc/91/22/04/625912204.db2.gz ZPXHIBLRBDYASD-UHFFFAOYSA-N 0 0 322.355 3.353 20 10 DGCDRN CN1CCOc2ccc(NCc3cc(F)cc(F)c3O)cc21 ZINC000883065018 625914293 /nfs/dbraw/zinc/91/42/93/625914293.db2.gz WZJCCBBOMBGNIW-UHFFFAOYSA-N 0 0 306.312 3.111 20 10 DGCDRN CC[NH+]1CCC(N(C)Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792156786 625916396 /nfs/dbraw/zinc/91/63/96/625916396.db2.gz MRZKERAXEXDMGY-UHFFFAOYSA-N 0 0 300.805 3.101 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000792173045 625919639 /nfs/dbraw/zinc/91/96/39/625919639.db2.gz QBQPEJFGGMEXQI-RYUDHWBXSA-N 0 0 313.800 3.433 20 10 DGCDRN COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000792204466 625925742 /nfs/dbraw/zinc/92/57/42/625925742.db2.gz ZRSQCUWWVFOMBE-KCJUWKMLSA-N 0 0 318.200 3.130 20 10 DGCDRN O=C(CCc1cnc2ccccc2c1)NCc1ccccc1O ZINC000792240426 625929990 /nfs/dbraw/zinc/92/99/90/625929990.db2.gz UETGKLMXNQDXJJ-UHFFFAOYSA-N 0 0 306.365 3.189 20 10 DGCDRN COc1cc(CNc2cc(CO)ccn2)c(O)c(C(C)(C)C)c1 ZINC000883147720 625943443 /nfs/dbraw/zinc/94/34/43/625943443.db2.gz FQRGAQYRLUXNPW-UHFFFAOYSA-N 0 0 316.401 3.198 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](CF)C2)cc1 ZINC000883157559 625946248 /nfs/dbraw/zinc/94/62/48/625946248.db2.gz CALOBYBCNNMWLQ-HNNXBMFYSA-N 0 0 307.413 3.034 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000883174375 625953588 /nfs/dbraw/zinc/95/35/88/625953588.db2.gz JLLZYBUBDAVZPQ-HOCLYGCPSA-N 0 0 319.351 3.333 20 10 DGCDRN CCOc1ccc(O)c(CN[C@H](C)c2c(F)cncc2F)c1 ZINC000796525657 626058896 /nfs/dbraw/zinc/05/88/96/626058896.db2.gz DGEXCBRDTDAMIK-SNVBAGLBSA-N 0 0 308.328 3.315 20 10 DGCDRN CC[C@@H]([NH2+]CCCN(C)CC(F)(F)F)c1ccc(F)cc1[O-] ZINC000796692579 626073714 /nfs/dbraw/zinc/07/37/14/626073714.db2.gz GGOJVVIXVQBWKP-CYBMUJFWSA-N 0 0 322.346 3.456 20 10 DGCDRN CC[C@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1ccc(F)cc1[O-] ZINC000796819441 626086445 /nfs/dbraw/zinc/08/64/45/626086445.db2.gz XNGJNFIXYZURFW-HOTGVXAUSA-N 0 0 307.340 3.445 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CC(C)=C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000797438743 626142906 /nfs/dbraw/zinc/14/29/06/626142906.db2.gz HGXZKRQHQYCGHG-HWPRWLFBSA-N 0 0 316.357 3.183 20 10 DGCDRN CCOc1ccc(NC(=O)NCc2ccc(OC)cc2O)cc1 ZINC000797606715 626159691 /nfs/dbraw/zinc/15/96/91/626159691.db2.gz MHLVIZCAIBGYOI-UHFFFAOYSA-N 0 0 316.357 3.121 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1c2c(ccc1Cl)OCC2 ZINC000797667031 626163286 /nfs/dbraw/zinc/16/32/86/626163286.db2.gz RHTSKNGMQTUOJN-UHFFFAOYSA-N 0 0 318.760 3.302 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@@H]2[C@@H](C)[C@@H]2c2ccccc2)c1 ZINC000797745141 626167148 /nfs/dbraw/zinc/16/71/48/626167148.db2.gz WNZNNQUBUPQJIU-JBBXEZCESA-N 0 0 311.381 3.067 20 10 DGCDRN COc1ccc(CNC(=O)[C@@H]2[C@@H](C)[C@@H]2c2ccccc2)c(O)c1 ZINC000797762284 626167363 /nfs/dbraw/zinc/16/73/63/626167363.db2.gz WGWAYTDDPLYIPR-JBBXEZCESA-N 0 0 311.381 3.067 20 10 DGCDRN C[C@@H]1CCC[C@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)[C@@H]1C ZINC000797763328 626167498 /nfs/dbraw/zinc/16/74/98/626167498.db2.gz RKJYIEZLLHQVPG-NOGHCJLRSA-N 0 0 303.402 3.300 20 10 DGCDRN C[C@@H]1CCC[C@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)[C@H]1C ZINC000797763329 626167583 /nfs/dbraw/zinc/16/75/83/626167583.db2.gz RKJYIEZLLHQVPG-TWRWCVTOSA-N 0 0 303.402 3.300 20 10 DGCDRN C/C(=C\Cl)CSCC(=O)NCc1ccc(N(C)C)cc1 ZINC000797811777 626170860 /nfs/dbraw/zinc/17/08/60/626170860.db2.gz PAEQWCOFVDQIDE-XYOKQWHBSA-N 0 0 312.866 3.245 20 10 DGCDRN O=C(/C=C/c1cncc(O)c1)N1CCCCc2sccc21 ZINC000798047793 626191226 /nfs/dbraw/zinc/19/12/26/626191226.db2.gz QVJDICDZDIYMGE-SNAWJCMRSA-N 0 0 300.383 3.231 20 10 DGCDRN CCn1ccnc1[C@H]1CCCCN1C(=O)C1=CC(=O)CS1 ZINC000798119410 626195459 /nfs/dbraw/zinc/19/54/59/626195459.db2.gz YVIXQAAIJMZRGC-GFCCVEGCSA-N 0 0 305.403 3.038 20 10 DGCDRN CC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCCO1 ZINC000798459963 626219008 /nfs/dbraw/zinc/21/90/08/626219008.db2.gz PMRPCMJTLUDCOQ-RHSMWYFYSA-N 0 0 319.449 3.024 20 10 DGCDRN CCOc1ccc(O)c(CNc2ccc(N3CCC3=O)cc2)c1 ZINC000798502601 626221747 /nfs/dbraw/zinc/22/17/47/626221747.db2.gz SETXYGWNGIVUDC-UHFFFAOYSA-N 0 0 312.369 3.140 20 10 DGCDRN CC[C@H](C)N(CC(=O)OC)Cc1ccc(N2CCCCC2)cc1 ZINC000798954792 626262357 /nfs/dbraw/zinc/26/23/57/626262357.db2.gz DEXVNNDSRZFPJR-INIZCTEOSA-N 0 0 318.461 3.450 20 10 DGCDRN O=C1CCN1c1ccc(NCc2cccc(Cl)c2O)cc1 ZINC000798960644 626263207 /nfs/dbraw/zinc/26/32/07/626263207.db2.gz IYLOMFBXCDIHTR-UHFFFAOYSA-N 0 0 302.761 3.394 20 10 DGCDRN CCOc1ccc(CN2CCC=C(Br)C2)c(O)c1 ZINC000799737054 626325450 /nfs/dbraw/zinc/32/54/50/626325450.db2.gz TVDXHSWNEQHLDT-UHFFFAOYSA-N 0 0 312.207 3.275 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H](CCO)Cc1ccccc1 ZINC000799738955 626327084 /nfs/dbraw/zinc/32/70/84/626327084.db2.gz DHHPEECXYIXCEG-HNNXBMFYSA-N 0 0 305.805 3.129 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2O[C@H](C)C[C@H]2C)cc1 ZINC000799864679 626331802 /nfs/dbraw/zinc/33/18/02/626331802.db2.gz UMQOLKYIZLSOSG-IIDMSEBBSA-N 0 0 318.461 3.305 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Cc1ccsc1 ZINC000839914180 626369600 /nfs/dbraw/zinc/36/96/00/626369600.db2.gz RMQVEXOTUSYVIZ-CQSZACIVSA-N 0 0 316.470 3.412 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H](C)OCC(C)C ZINC000839918594 626372013 /nfs/dbraw/zinc/37/20/13/626372013.db2.gz MWTADRYJEJJGQK-JKSUJKDBSA-N 0 0 320.477 3.169 20 10 DGCDRN COc1cccc(/C=C2/SC(=S)N(C3CC3)C2=O)c1F ZINC000800722361 626372111 /nfs/dbraw/zinc/37/21/11/626372111.db2.gz PERBHOKEDAJMEH-YRNVUSSQSA-N 0 0 309.387 3.198 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CC12CCC2 ZINC000839920070 626373281 /nfs/dbraw/zinc/37/32/81/626373281.db2.gz KIQORAMQMRCTJA-WMLDXEAASA-N 0 0 300.446 3.298 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1cc(C)nn1C ZINC000800802507 626375620 /nfs/dbraw/zinc/37/56/20/626375620.db2.gz OWALMDLWZKGXDG-UHFFFAOYSA-N 0 0 316.405 3.268 20 10 DGCDRN CO[C@H](C)c1nsc(NCc2c(O)ccc3c2CCCC3)n1 ZINC000800854681 626379613 /nfs/dbraw/zinc/37/96/13/626379613.db2.gz PTTQLJMEEZVNTR-SNVBAGLBSA-N 0 0 319.430 3.442 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)/C=C\c1ccc[nH]1 ZINC000839922896 626382949 /nfs/dbraw/zinc/38/29/49/626382949.db2.gz ZZGUHMLYIJTTAG-WKTRQSJXSA-N 0 0 311.429 3.150 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)OCC1CC1 ZINC000801549748 626409560 /nfs/dbraw/zinc/40/95/60/626409560.db2.gz YPRRTRHOLDCINK-CQSZACIVSA-N 0 0 305.418 3.336 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2coc(C)n2)cc1 ZINC000801599804 626411581 /nfs/dbraw/zinc/41/15/81/626411581.db2.gz DBRKQDOWQCVTGK-UHFFFAOYSA-N 0 0 301.390 3.101 20 10 DGCDRN CCN(CC)c1ccc(CN(C)c2nnc(C)n2CC)cc1 ZINC000801909196 626425066 /nfs/dbraw/zinc/42/50/66/626425066.db2.gz IPEMRXZJLOVSPA-UHFFFAOYSA-N 0 0 301.438 3.089 20 10 DGCDRN CO[C@H](CN1CCOc2cc(N(C)C)ccc21)c1ccccc1 ZINC000801935183 626426464 /nfs/dbraw/zinc/42/64/64/626426464.db2.gz AEIAYIQVCAJKJN-LJQANCHMSA-N 0 0 312.413 3.339 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCC[C@H]1CCCO1 ZINC000801973331 626428433 /nfs/dbraw/zinc/42/84/33/626428433.db2.gz MGVHEGYIRVCMKA-MRXNPFEDSA-N 0 0 320.433 3.273 20 10 DGCDRN C[C@H]1CC(CCNC(=O)N(C)Cc2ccccc2O)C[C@H](C)O1 ZINC000802508858 626562571 /nfs/dbraw/zinc/56/25/71/626562571.db2.gz LPRHBXPIRVAIFR-KBPBESRZSA-N 0 0 320.433 3.127 20 10 DGCDRN CN(C)c1ccc(CN2CCOCC23CC3)c(C(F)(F)F)c1 ZINC000802658704 626565775 /nfs/dbraw/zinc/56/57/75/626565775.db2.gz OHAHCKVCBZNWNP-UHFFFAOYSA-N 0 0 314.351 3.136 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2cc(C(C)C)oc2C)c1 ZINC000802783532 626571961 /nfs/dbraw/zinc/57/19/61/626571961.db2.gz VHOPJDSPOVJSSA-UHFFFAOYSA-N 0 0 303.358 3.356 20 10 DGCDRN CNC(=O)N(C)c1ccc(NCc2ccc(N(C)C)cc2)cc1 ZINC000883314149 626642945 /nfs/dbraw/zinc/64/29/45/626642945.db2.gz XEWKENQWMDFOSV-UHFFFAOYSA-N 0 0 312.417 3.140 20 10 DGCDRN CCc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1F ZINC000804267105 626664693 /nfs/dbraw/zinc/66/46/93/626664693.db2.gz VUODCJYATZHBDF-XBXARRHUSA-N 0 0 301.317 3.451 20 10 DGCDRN CO[C@H]1C[C@@H](N(C)C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000804303014 626667336 /nfs/dbraw/zinc/66/73/36/626667336.db2.gz DBYZSAHGQABROU-HDICACEKSA-N 0 0 312.413 3.344 20 10 DGCDRN COc1cc(Br)cc([C@@H](C)N[C@H](C)C(F)F)c1O ZINC000883400013 626673241 /nfs/dbraw/zinc/67/32/41/626673241.db2.gz BKZMZZXMOBHRCB-RNFRBKRXSA-N 0 0 324.165 3.468 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H](C)C(F)(F)F)cc1 ZINC000806464367 626716892 /nfs/dbraw/zinc/71/68/92/626716892.db2.gz GOSGWFDOKWBLEP-LLVKDONJSA-N 0 0 317.355 3.283 20 10 DGCDRN CC(=O)c1cc(NC(=O)NCc2ccccc2O)ccc1F ZINC000806570825 626722534 /nfs/dbraw/zinc/72/25/34/626722534.db2.gz LVVCMNFMSXJUKX-UHFFFAOYSA-N 0 0 302.305 3.056 20 10 DGCDRN Cc1cc([N+](=O)[O-])ccc1NNC(=S)Nc1ccc(F)cc1 ZINC000806589133 626725369 /nfs/dbraw/zinc/72/53/69/626725369.db2.gz CFNLIFDBAYSZGV-UHFFFAOYSA-N 0 0 320.349 3.356 20 10 DGCDRN C[C@@H](NC(=O)Nc1cc2ccccn2n1)c1ccc(N(C)C)cc1 ZINC000806650046 626729437 /nfs/dbraw/zinc/72/94/37/626729437.db2.gz QKPATNMVPQDNNP-CYBMUJFWSA-N 0 0 323.400 3.283 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1cc2ccccn2n1 ZINC000806649002 626729510 /nfs/dbraw/zinc/72/95/10/626729510.db2.gz RLFUJJTYDZRCNC-UHFFFAOYSA-N 0 0 323.400 3.030 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]3C[C@@H]32)cc1F ZINC000806772554 626733459 /nfs/dbraw/zinc/73/34/59/626733459.db2.gz SCPUKQIFPLOCQC-PBHICJAKSA-N 0 0 319.424 3.366 20 10 DGCDRN CON(CC(C)(C)C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000806821431 626735590 /nfs/dbraw/zinc/73/55/90/626735590.db2.gz MKIDEPDFQFCHQA-UHFFFAOYSA-N 0 0 307.438 3.180 20 10 DGCDRN C[C@@H](NC(=O)NC[C@H]1CCCSC1)c1ccc(N(C)C)cc1 ZINC000807141362 626747316 /nfs/dbraw/zinc/74/73/16/626747316.db2.gz RTRISJMNAXXUMW-ZIAGYGMSSA-N 0 0 321.490 3.256 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCC(C)(C)CC(F)F)c1 ZINC000883817351 626750563 /nfs/dbraw/zinc/75/05/63/626750563.db2.gz PXOSTRCWLBLJKX-UHFFFAOYSA-N 0 0 300.349 3.181 20 10 DGCDRN CC(C)(C(=O)NCc1cccc(Br)c1O)C1CC1 ZINC000807416994 626756327 /nfs/dbraw/zinc/75/63/27/626756327.db2.gz QPYBIMIWAONKQA-UHFFFAOYSA-N 0 0 312.207 3.207 20 10 DGCDRN C[C@@H]1CC[C@@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000807555439 626759856 /nfs/dbraw/zinc/75/98/56/626759856.db2.gz ARJCSUPWZGRDCB-DYVFJYSZSA-N 0 0 301.434 3.225 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCCC2(F)F)cc1 ZINC000807598435 626762681 /nfs/dbraw/zinc/76/26/81/626762681.db2.gz VHNSIVMMJVRUDD-AWEZNQCLSA-N 0 0 311.376 3.082 20 10 DGCDRN C=C/C=C/CCNC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000883912941 626768716 /nfs/dbraw/zinc/76/87/16/626768716.db2.gz HLPYKZZGKGSUMN-BQYQJAHWSA-N 0 0 301.434 3.416 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCC[C@H]1CCCC1(F)F ZINC000883926334 626772179 /nfs/dbraw/zinc/77/21/79/626772179.db2.gz JRFSOFPCLRTONO-CYBMUJFWSA-N 0 0 312.360 3.359 20 10 DGCDRN CC[C@@H](c1ccccc1OC)N(C)C(=O)c1cccc(O)c1O ZINC000807860651 626773120 /nfs/dbraw/zinc/77/31/20/626773120.db2.gz CSMFNPHKNDAKKU-AWEZNQCLSA-N 0 0 315.369 3.330 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C)n(CC)c1C ZINC000808094700 626791814 /nfs/dbraw/zinc/79/18/14/626791814.db2.gz BTKVREASDUZHCK-UHFFFAOYSA-N 0 0 321.417 3.246 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc2c(c1)CCC2 ZINC000808094321 626791884 /nfs/dbraw/zinc/79/18/84/626791884.db2.gz JTEDEDMUPWMSNX-UHFFFAOYSA-N 0 0 316.397 3.297 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C)c(CC)o1 ZINC000808094433 626792092 /nfs/dbraw/zinc/79/20/92/626792092.db2.gz OITULMOGKLYMRF-UHFFFAOYSA-N 0 0 308.374 3.272 20 10 DGCDRN Cc1nc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)co1 ZINC000808121187 626794131 /nfs/dbraw/zinc/79/41/31/626794131.db2.gz BPCDPZHMJACBLO-UHFFFAOYSA-N 0 0 301.390 3.100 20 10 DGCDRN CC(=O)C(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000808512241 626834802 /nfs/dbraw/zinc/83/48/02/626834802.db2.gz LJOFJGPQQQZEHO-UHFFFAOYSA-N 0 0 322.788 3.243 20 10 DGCDRN CC(=O)C(=O)COC(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000808516498 626834807 /nfs/dbraw/zinc/83/48/07/626834807.db2.gz GQQSXCWCXBFCBE-UHFFFAOYSA-N 0 0 316.397 3.351 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCCc3occc3C2)c1O ZINC000808797094 626862161 /nfs/dbraw/zinc/86/21/61/626862161.db2.gz HMFONGQLJUYYCS-UHFFFAOYSA-N 0 0 303.333 3.275 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ccnc(C(F)(F)F)c1 ZINC000809613454 626926788 /nfs/dbraw/zinc/92/67/88/626926788.db2.gz VQFDXSUSINYIPW-UHFFFAOYSA-N 0 0 310.275 3.078 20 10 DGCDRN O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000809728620 626942498 /nfs/dbraw/zinc/94/24/98/626942498.db2.gz DBFMMZFBNGNKEA-CYBMUJFWSA-N 0 0 322.767 3.453 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC[C@@H](O)c1ccccc1 ZINC000809747722 626946084 /nfs/dbraw/zinc/94/60/84/626946084.db2.gz VAXGWSSALNZINC-CQSZACIVSA-N 0 0 309.768 3.398 20 10 DGCDRN C[C@@H](CCn1cccn1)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809775613 626951207 /nfs/dbraw/zinc/95/12/07/626951207.db2.gz FZWRZCRJUYHMHA-JTQLQIEISA-N 0 0 314.216 3.464 20 10 DGCDRN COc1cc(O)c(CNC2(C(F)F)CCCC2)cc1OC ZINC000809789919 626953721 /nfs/dbraw/zinc/95/37/21/626953721.db2.gz NNCIQOVVNIRUMF-UHFFFAOYSA-N 0 0 301.333 3.077 20 10 DGCDRN CCCCN(C)C[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000809793263 626954829 /nfs/dbraw/zinc/95/48/29/626954829.db2.gz VHRIZHJJAVZAAF-NSHDSACASA-N 0 0 302.821 3.395 20 10 DGCDRN CC(C)N(C(=O)COc1ccc(N(C)C)cc1)C1CCCC1 ZINC000810000886 626966996 /nfs/dbraw/zinc/96/69/96/626966996.db2.gz QFULJLWKBWIJIG-UHFFFAOYSA-N 0 0 304.434 3.311 20 10 DGCDRN CN(C)c1ccc(OCC(=O)N[C@@H](c2ccccc2)C2CC2)cc1 ZINC000810000245 626967110 /nfs/dbraw/zinc/96/71/10/626967110.db2.gz GFWIGNPQWLWEAH-FQEVSTJZSA-N 0 0 324.424 3.399 20 10 DGCDRN CN(C)c1ccc(OCC(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC000810002004 626967643 /nfs/dbraw/zinc/96/76/43/626967643.db2.gz PUKJQOFNVNJKOW-YJBOKZPZSA-N 0 0 316.445 3.313 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)OC2CCOCC2)cc1 ZINC000810038710 626970667 /nfs/dbraw/zinc/97/06/67/626970667.db2.gz YNWABDPHPQOTRX-UHFFFAOYSA-N 0 0 320.433 3.280 20 10 DGCDRN Cc1ccc(C(=O)N2C[C@H](C3CC3)C[C@@H]2C2CC2)c(O)c1O ZINC000885222452 626988039 /nfs/dbraw/zinc/98/80/39/626988039.db2.gz COGYIPACYDZJIE-UKRRQHHQSA-N 0 0 301.386 3.057 20 10 DGCDRN C[C@@]1(Cc2cccs2)CCCN1C(=O)c1cccc(O)c1O ZINC000885256454 626994237 /nfs/dbraw/zinc/99/42/37/626994237.db2.gz CZXTZSWGOITYQU-KRWDZBQOSA-N 0 0 317.410 3.397 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Cc2cccc(Cl)c2F)c1 ZINC000810404695 627004255 /nfs/dbraw/zinc/00/42/55/627004255.db2.gz UXIRIKMZAZMACG-UHFFFAOYSA-N 0 0 323.751 3.052 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCCSC1 ZINC000810447703 627007598 /nfs/dbraw/zinc/00/75/98/627007598.db2.gz SANHGFSMLOXLLC-CYBMUJFWSA-N 0 0 305.443 3.030 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OC[C@]1(F)CCOC1 ZINC000810925424 627067412 /nfs/dbraw/zinc/06/74/12/627067412.db2.gz HFYZZQMLEOOCSK-INIZCTEOSA-N 0 0 323.389 3.441 20 10 DGCDRN COc1cc(C)cc(C[NH2+]Cc2cc(C)ccc2O)c1OC ZINC000886169604 627116520 /nfs/dbraw/zinc/11/65/20/627116520.db2.gz BOAVDUIGZNZSBO-UHFFFAOYSA-N 0 0 301.386 3.316 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(F)cc1C ZINC000137883603 627146603 /nfs/dbraw/zinc/14/66/03/627146603.db2.gz UCMZLRBZRJLSFE-UHFFFAOYSA-N 0 0 300.377 3.439 20 10 DGCDRN COc1ccc(C[NH2+][C@H](C)c2c([O-])cccc2F)cc1OC ZINC000886489707 627152046 /nfs/dbraw/zinc/15/20/46/627152046.db2.gz PABUDAQEKBVHLX-LLVKDONJSA-N 0 0 305.349 3.399 20 10 DGCDRN COc1ccc(OC)c(C[NH2+][C@H](C)c2c([O-])cccc2F)c1 ZINC000886494973 627152912 /nfs/dbraw/zinc/15/29/12/627152912.db2.gz COVFTBHXODYKJZ-LLVKDONJSA-N 0 0 305.349 3.399 20 10 DGCDRN COc1cccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)c1OC ZINC000886507728 627154621 /nfs/dbraw/zinc/15/46/21/627154621.db2.gz XAASBDSTBIFGHS-NSHDSACASA-N 0 0 305.349 3.399 20 10 DGCDRN COc1ccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)c(OC)c1 ZINC000886507466 627154732 /nfs/dbraw/zinc/15/47/32/627154732.db2.gz MCOKUSWSAJHTDL-NSHDSACASA-N 0 0 305.349 3.399 20 10 DGCDRN C[C@@H]([NH2+]CCN1Cc2ccccc2C1)c1c([O-])cccc1F ZINC000886515471 627155560 /nfs/dbraw/zinc/15/55/60/627155560.db2.gz HWENFRSWIGUMAW-CYBMUJFWSA-N 0 0 300.377 3.198 20 10 DGCDRN Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886528150 627157307 /nfs/dbraw/zinc/15/73/07/627157307.db2.gz HVPIGANRSQYFAW-HZMBPMFUSA-N 0 0 301.365 3.358 20 10 DGCDRN C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)c1c([O-])cccc1F ZINC000886588704 627168634 /nfs/dbraw/zinc/16/86/34/627168634.db2.gz XSCIHDKLIHXGKH-DZGCQCFKSA-N 0 0 303.377 3.176 20 10 DGCDRN CC(C)[C@H](C[NH2+][C@H](C)c1c([O-])cccc1F)c1ccnn1C ZINC000886599314 627170630 /nfs/dbraw/zinc/17/06/30/627170630.db2.gz WDUVWGNIUVACRC-OLZOCXBDSA-N 0 0 305.397 3.355 20 10 DGCDRN C[C@@H]([NH2+]C[C@@]1(CO)CCc2ccccc21)c1c([O-])cccc1F ZINC000886631881 627177313 /nfs/dbraw/zinc/17/73/13/627177313.db2.gz YMZDCVOOQRDKSC-BFUOFWGJSA-N 0 0 315.388 3.058 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1)c1c([O-])cccc1F ZINC000886637610 627178173 /nfs/dbraw/zinc/17/81/73/627178173.db2.gz ASAZSCZOWCVIGZ-JGGQBBKZSA-N 0 0 317.408 3.327 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1c2ccccc2CN1C)c1c([O-])cccc1F ZINC000886648202 627179989 /nfs/dbraw/zinc/17/99/89/627179989.db2.gz NPLDNLOBUDAZLN-WBMJQRKESA-N 0 0 300.377 3.369 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)C2)O1)c1ccc(F)cc1[O-] ZINC000886767051 627202681 /nfs/dbraw/zinc/20/26/81/627202681.db2.gz YMIKYUOEKFHRAK-XJOINEQPSA-N 0 0 323.408 3.299 20 10 DGCDRN CC[C@H](N[C@H](CCO)C(F)(F)F)c1cc(Cl)ccc1O ZINC000886801661 627205899 /nfs/dbraw/zinc/20/58/99/627205899.db2.gz QPAGPQJEZANUCE-CMPLNLGQSA-N 0 0 311.731 3.400 20 10 DGCDRN CC(C)(CO)[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000811519119 627287084 /nfs/dbraw/zinc/28/70/84/627287084.db2.gz UFSQQQHBSJKRDA-AWEZNQCLSA-N 0 0 301.789 3.071 20 10 DGCDRN CCCN(CC)C[C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000811520463 627287342 /nfs/dbraw/zinc/28/73/42/627287342.db2.gz PGRDDOXRMBDYPS-LLVKDONJSA-N 0 0 302.821 3.395 20 10 DGCDRN COC[C@@H](NC(=O)C1=CC(=O)CS1)c1cccc(Cl)c1 ZINC000811582725 627291719 /nfs/dbraw/zinc/29/17/19/627291719.db2.gz IGRBFDUXYWXYLL-GFCCVEGCSA-N 0 0 311.790 3.225 20 10 DGCDRN Cc1ccnc(NCCc2ccc(O)c(O)c2)c1Br ZINC000811811008 627324669 /nfs/dbraw/zinc/32/46/69/627324669.db2.gz KDANUCMUQHAFOS-UHFFFAOYSA-N 0 0 323.190 3.218 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H](C)C1CC1 ZINC000840243893 627341846 /nfs/dbraw/zinc/34/18/46/627341846.db2.gz QGBPMJXENKBUET-KGLIPLIRSA-N 0 0 303.450 3.090 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC(C)(C)[C@H]1C1CC1 ZINC000812047079 627349780 /nfs/dbraw/zinc/34/97/80/627349780.db2.gz DQNZFEFKTFRAPY-QGZVFWFLSA-N 0 0 315.461 3.391 20 10 DGCDRN CN1CCCc2cc(CNc3ncc([N+](=O)[O-])cc3F)ccc21 ZINC000840251268 627375074 /nfs/dbraw/zinc/37/50/74/627375074.db2.gz IJRFBVSPYKPLIQ-UHFFFAOYSA-N 0 0 316.336 3.123 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](C)[C@H](C)COC)cc1F ZINC000812505515 627393135 /nfs/dbraw/zinc/39/31/35/627393135.db2.gz OVQTUZNTGRMACA-KGLIPLIRSA-N 0 0 324.440 3.207 20 10 DGCDRN COc1ccc(N2CCN(C(=O)CCCC3CC3)CC2)cc1F ZINC000812530872 627394691 /nfs/dbraw/zinc/39/46/91/627394691.db2.gz NFPUVJYGCOUOQO-UHFFFAOYSA-N 0 0 320.408 3.063 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1cc(F)cc(F)c1[O-] ZINC000812736463 627414163 /nfs/dbraw/zinc/41/41/63/627414163.db2.gz BRKIJDLAQQPABO-JTQLQIEISA-N 0 0 317.339 3.408 20 10 DGCDRN COc1cc(Cl)cc(CNc2cn(C)nc2C2CC2)c1O ZINC000812777404 627418971 /nfs/dbraw/zinc/41/89/71/627418971.db2.gz KDUTYKIHTVABIO-UHFFFAOYSA-N 0 0 307.781 3.277 20 10 DGCDRN CC(C)n1cc(Cl)c(NC(=O)NCc2ccccc2O)n1 ZINC000889541897 627434337 /nfs/dbraw/zinc/43/43/37/627434337.db2.gz XWQGVADJBYWBMR-UHFFFAOYSA-N 0 0 308.769 3.145 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2C[C@H]3CCC[C@H]32)c(C)n1-c1ccccn1 ZINC000889585868 627441444 /nfs/dbraw/zinc/44/14/44/627441444.db2.gz DUDNSPUWATZHQB-BFYDXBDKSA-N 0 0 309.413 3.408 20 10 DGCDRN CCc1cc(C(=O)NCc2ccc3c(c2)CCCN3C)ccc1O ZINC000813430861 627489096 /nfs/dbraw/zinc/48/90/96/627489096.db2.gz WWGSTOXWQVNUKO-UHFFFAOYSA-N 0 0 324.424 3.267 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2(C(F)F)CCCC2)c1 ZINC000813489018 627493255 /nfs/dbraw/zinc/49/32/55/627493255.db2.gz LOHFDRWROPDUOH-SNVBAGLBSA-N 0 0 313.344 3.404 20 10 DGCDRN CN(Cc1ccccc1O)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000813600171 627502014 /nfs/dbraw/zinc/50/20/14/627502014.db2.gz KWRHGXWQJRXSGO-UHFFFAOYSA-N 0 0 309.325 3.485 20 10 DGCDRN Cc1ccoc1CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000813720497 627508919 /nfs/dbraw/zinc/50/89/19/627508919.db2.gz VBTSQGWQGICOEL-CYBMUJFWSA-N 0 0 301.390 3.214 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NC[C@H]2CCC[C@H]2C2CC2)c1 ZINC000840298386 627512587 /nfs/dbraw/zinc/51/25/87/627512587.db2.gz SYBVDUZMZVXMPV-CJNGLKHVSA-N 0 0 318.417 3.026 20 10 DGCDRN CC[C@@H](C)CONC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000813824604 627513207 /nfs/dbraw/zinc/51/32/07/627513207.db2.gz PMHCCPMWEJRXNN-GFCCVEGCSA-N 0 0 306.406 3.048 20 10 DGCDRN CNC(=O)Oc1cccc(NCc2cccc(Cl)c2O)c1 ZINC000814175367 627546754 /nfs/dbraw/zinc/54/67/54/627546754.db2.gz UENMLPWJDREHEE-UHFFFAOYSA-N 0 0 306.749 3.376 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000814178412 627547528 /nfs/dbraw/zinc/54/75/28/627547528.db2.gz PCWIOJBGPPAYEK-CYBMUJFWSA-N 0 0 313.800 3.433 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC[C@@H](OC)C2)cc1 ZINC000814405889 627562944 /nfs/dbraw/zinc/56/29/44/627562944.db2.gz HSUIVWZDYXIISU-SJLPKXTDSA-N 0 0 318.461 3.354 20 10 DGCDRN O=C(NCCCSc1nccs1)N[C@@H]1CCCC[C@H]1F ZINC000840325386 627582411 /nfs/dbraw/zinc/58/24/11/627582411.db2.gz VIPIPVMDOMLYTC-GHMZBOCLSA-N 0 0 317.455 3.205 20 10 DGCDRN CN(C)c1ccc(Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)cc1 ZINC000814765830 627589075 /nfs/dbraw/zinc/58/90/75/627589075.db2.gz UCXAPGUNXSUDOB-UHFFFAOYSA-N 0 0 323.352 3.024 20 10 DGCDRN Oc1ccc2c(c1CNc1ccnc3cccnc31)CCCC2 ZINC000814854277 627599035 /nfs/dbraw/zinc/59/90/35/627599035.db2.gz HHXNCCOJUIZBMO-UHFFFAOYSA-N 0 0 305.381 3.248 20 10 DGCDRN CCC1(CC)CN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000814905118 627605755 /nfs/dbraw/zinc/60/57/55/627605755.db2.gz ORBSUCGATXIWKR-CLFYSBASSA-N 0 0 318.373 3.407 20 10 DGCDRN Cc1nc([C@H]2CCCCN2Cc2ccc(N(C)C)c(C)c2)no1 ZINC000815018764 627616852 /nfs/dbraw/zinc/61/68/52/627616852.db2.gz ANBVPWAHFCELDQ-QGZVFWFLSA-N 0 0 314.433 3.480 20 10 DGCDRN CCOc1ccc(N(C)C[C@@H](O)Cc2ccc(F)cc2)cc1 ZINC000815052538 627619668 /nfs/dbraw/zinc/61/96/68/627619668.db2.gz RWQRFBCAWGKFOW-KRWDZBQOSA-N 0 0 303.377 3.264 20 10 DGCDRN Cc1cc(CN2CCC[C@@H]2C(=O)OC(C)(C)C)ccc1N(C)C ZINC000815058783 627620171 /nfs/dbraw/zinc/62/01/71/627620171.db2.gz TXBAZGASHWOQRG-QGZVFWFLSA-N 0 0 318.461 3.367 20 10 DGCDRN CCN(C[C@@H](O)Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000815066436 627622182 /nfs/dbraw/zinc/62/21/82/627622182.db2.gz PAJYZTLHFUHJFQ-KRWDZBQOSA-N 0 0 303.377 3.264 20 10 DGCDRN CCOC(=O)C(CC)(CC)NCc1ccc(N(C)C)c(C)c1 ZINC000815120940 627630713 /nfs/dbraw/zinc/63/07/13/627630713.db2.gz QARZKADCJHYDEY-UHFFFAOYSA-N 0 0 306.450 3.273 20 10 DGCDRN Cc1nc([C@@](C)(NCc2ccc(N(C)C)c(C)c2)C2CC2)no1 ZINC000815123511 627631821 /nfs/dbraw/zinc/63/18/21/627631821.db2.gz BELDWRBSUSRFPC-SFHVURJKSA-N 0 0 314.433 3.167 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NCC[C@@H]2CC[C@H]3C[C@H]32)cc1 ZINC000924391688 627634184 /nfs/dbraw/zinc/63/41/84/627634184.db2.gz PXMWSZMHFSDCTH-BQFCYCMXSA-N 0 0 315.461 3.330 20 10 DGCDRN CC1(C)CCC[C@]1(O)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000815147800 627637273 /nfs/dbraw/zinc/63/72/73/627637273.db2.gz WMEWZYXDZZNZTA-HNNXBMFYSA-N 0 0 301.789 3.216 20 10 DGCDRN CCN(CC)c1ccc(CN[C@H](C)c2nn(CC)nc2C)cc1 ZINC000924710466 627671442 /nfs/dbraw/zinc/67/14/42/627671442.db2.gz LHNJUXGBYGSWEV-CQSZACIVSA-N 0 0 315.465 3.303 20 10 DGCDRN CC(C)=CC[C@H]1NC(=O)N([C@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000924714393 627672305 /nfs/dbraw/zinc/67/23/05/627672305.db2.gz BZAQIZVVUHTPRZ-CZUORRHYSA-N 0 0 315.417 3.090 20 10 DGCDRN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1cn2c(n1)CCCC2 ZINC000924863463 627688497 /nfs/dbraw/zinc/68/84/97/627688497.db2.gz YATSZWRFRFWPFK-CYBMUJFWSA-N 0 0 316.424 3.275 20 10 DGCDRN Cc1nnsc1C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815629217 627693088 /nfs/dbraw/zinc/69/30/88/627693088.db2.gz XMBHFZBXDOHOIU-ZETCQYMHSA-N 0 0 317.336 3.422 20 10 DGCDRN Cc1ccc([C@@H](C)NCc2ncn(-c3ccccc3)n2)c(O)c1 ZINC000815657950 627695863 /nfs/dbraw/zinc/69/58/63/627695863.db2.gz NKYKRGYTQVSGKO-CQSZACIVSA-N 0 0 308.385 3.132 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(F)ccc1Cl ZINC000816028922 627727920 /nfs/dbraw/zinc/72/79/20/627727920.db2.gz QZHOXPNFXUQILS-SECBINFHSA-N 0 0 323.751 3.251 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+](CCO)C1CCCCC1 ZINC000816477999 627795381 /nfs/dbraw/zinc/79/53/81/627795381.db2.gz QQPLQOJABKGYMV-UHFFFAOYSA-N 0 0 301.789 3.312 20 10 DGCDRN CC[NH+](CC)[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816483784 627796174 /nfs/dbraw/zinc/79/61/74/627796174.db2.gz DVJPXBRCQIVBPV-GFCCVEGCSA-N 0 0 300.805 3.101 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCc2ccc(O)cc2CC1 ZINC000816498787 627797522 /nfs/dbraw/zinc/79/75/22/627797522.db2.gz MBJJZLGKMYKFKQ-UHFFFAOYSA-N 0 0 321.779 3.491 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000816501757 627797663 /nfs/dbraw/zinc/79/76/63/627797663.db2.gz AAHLOPYOIDSXCR-LBPRGKRZSA-N 0 0 309.772 3.218 20 10 DGCDRN CCOCCO[C@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816521167 627801147 /nfs/dbraw/zinc/80/11/47/627801147.db2.gz JBDDAJADXCZBMX-KRWDZBQOSA-N 0 0 315.413 3.173 20 10 DGCDRN Cc1nccn1C[C@H](C)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816532621 627803629 /nfs/dbraw/zinc/80/36/29/627803629.db2.gz OXWQZKCTNLJVHP-SNVBAGLBSA-N 0 0 311.788 3.116 20 10 DGCDRN O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816553634 627806807 /nfs/dbraw/zinc/80/68/07/627806807.db2.gz BUJXETJPUQPTFQ-UHFFFAOYSA-N 0 0 324.739 3.425 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@H](O)Cc1ccccc1 ZINC000816558121 627807164 /nfs/dbraw/zinc/80/71/64/627807164.db2.gz NULKTMDGAZDLIS-MEDUHNTESA-N 0 0 323.795 3.266 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000816559185 627807286 /nfs/dbraw/zinc/80/72/86/627807286.db2.gz AWILNVYBFFYTPJ-VCTAVGKDSA-N 0 0 311.784 3.232 20 10 DGCDRN Oc1cc(F)c(Cl)cc1CNc1cnn(-c2ccccn2)c1 ZINC000816558695 627807508 /nfs/dbraw/zinc/80/75/08/627807508.db2.gz JACJTHPWPLNSBC-UHFFFAOYSA-N 0 0 318.739 3.378 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000816567570 627809464 /nfs/dbraw/zinc/80/94/64/627809464.db2.gz FSUSKLATAGPVKT-LBPRGKRZSA-N 0 0 313.800 3.433 20 10 DGCDRN C[C@@H](COCC1CCCCC1)NC(=O)Nc1ccc(N)cc1 ZINC000926141937 627850318 /nfs/dbraw/zinc/85/03/18/627850318.db2.gz FVPDQPAUGLPCDH-ZDUSSCGKSA-N 0 0 305.422 3.376 20 10 DGCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1nc(C)no1 ZINC000817299030 627879593 /nfs/dbraw/zinc/87/95/93/627879593.db2.gz SLBLHVGIQKNNJQ-CQSZACIVSA-N 0 0 301.390 3.222 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)[C@@H]1CC12CC2 ZINC000817438420 627902117 /nfs/dbraw/zinc/90/21/17/627902117.db2.gz GHZIJYHTRXVVBG-LBPRGKRZSA-N 0 0 304.353 3.135 20 10 DGCDRN CCCc1[nH]ccc1C(=O)NCCCSc1nccs1 ZINC000817533245 627917125 /nfs/dbraw/zinc/91/71/25/627917125.db2.gz NRVYWIZGNRDUJR-UHFFFAOYSA-N 0 0 309.460 3.336 20 10 DGCDRN CC[C@H]([NH2+][C@H](C)C1(OC)CCOCC1)c1ccc(F)cc1[O-] ZINC000817588843 627927642 /nfs/dbraw/zinc/92/76/42/627927642.db2.gz RSNGNSFJZZAJNV-DOMZBBRYSA-N 0 0 311.397 3.156 20 10 DGCDRN CCOc1nc(C(=O)Oc2ccc3c(c2)c(C)c(C)n3C)co1 ZINC000817761020 627947028 /nfs/dbraw/zinc/94/70/28/627947028.db2.gz JXBYQINZGWISGH-UHFFFAOYSA-N 0 0 314.341 3.401 20 10 DGCDRN CCn1cc(CC(=O)Oc2ccc3c(c2)c(C)c(C)n3C)cn1 ZINC000817760427 627947096 /nfs/dbraw/zinc/94/70/96/627947096.db2.gz BGYMEDAJXUHJIJ-UHFFFAOYSA-N 0 0 311.385 3.160 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)c3cn(C)nc3Cl)cc12 ZINC000817760651 627947121 /nfs/dbraw/zinc/94/71/21/627947121.db2.gz CBSISQMVTXUAGL-UHFFFAOYSA-N 0 0 317.776 3.401 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NC[C@H]1CC12CCSCC2 ZINC000817786625 627948628 /nfs/dbraw/zinc/94/86/28/627948628.db2.gz XHIWHLQDXVCQGR-CQSZACIVSA-N 0 0 320.458 3.067 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1F ZINC000817881545 627952657 /nfs/dbraw/zinc/95/26/57/627952657.db2.gz KQZGRSQFTRLTCL-HIFRSBDPSA-N 0 0 322.424 3.215 20 10 DGCDRN CCN(C(=O)c1csc(Cc2ccc(N)cc2)n1)C(C)C ZINC000817913373 627960236 /nfs/dbraw/zinc/96/02/36/627960236.db2.gz ZFAZFLAGUISQIP-UHFFFAOYSA-N 0 0 303.431 3.187 20 10 DGCDRN C[C@H]1CCC[C@H]1NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817935809 627966501 /nfs/dbraw/zinc/96/65/01/627966501.db2.gz DWAYUDXANUSIMU-SMDDNHRTSA-N 0 0 315.442 3.235 20 10 DGCDRN CC1(C)C[C@@H]1CNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817941168 627968329 /nfs/dbraw/zinc/96/83/29/627968329.db2.gz MXDCTECDNSVXRS-GFCCVEGCSA-N 0 0 315.442 3.092 20 10 DGCDRN CC1(CNC(=O)c2csc(Cc3ccc(N)cc3)n2)CCC1 ZINC000817951429 627972063 /nfs/dbraw/zinc/97/20/63/627972063.db2.gz FJFMAFWVHNSRPT-UHFFFAOYSA-N 0 0 315.442 3.236 20 10 DGCDRN C[C@@H]1C[C@@H](C)N(C(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000817950217 627972371 /nfs/dbraw/zinc/97/23/71/627972371.db2.gz WMUUANKRCBFGQX-VXGBXAGGSA-N 0 0 315.442 3.187 20 10 DGCDRN CC[C@@H]([NH2+]CCNC1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817952122 627972422 /nfs/dbraw/zinc/97/24/22/627972422.db2.gz CCLRGEZCEGBZIG-CYBMUJFWSA-N 0 0 303.233 3.492 20 10 DGCDRN C[C@@H]1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)[C@@H]1C ZINC000817959597 627974733 /nfs/dbraw/zinc/97/47/33/627974733.db2.gz HIVTZTMJCXOTLE-VXGBXAGGSA-N 0 0 315.442 3.187 20 10 DGCDRN CC(C)C[C@@H](CN)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817959890 627975957 /nfs/dbraw/zinc/97/59/57/627975957.db2.gz WHVKONDROZCXQH-QWRGUYRKSA-N 0 0 304.356 3.435 20 10 DGCDRN NCC(F)(F)CN[C@H](CCc1ccccc1)c1ccccc1O ZINC000817968411 627978483 /nfs/dbraw/zinc/97/84/83/627978483.db2.gz RWOIUJYHGPPKAT-MRXNPFEDSA-N 0 0 320.383 3.250 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1ccc(F)cc1[O-] ZINC000817975864 627980951 /nfs/dbraw/zinc/98/09/51/627980951.db2.gz YZGWWVNJTBGFNT-PXAZEXFGSA-N 0 0 300.377 3.069 20 10 DGCDRN CCn1nc(C)c(CN[C@@H](C)c2cc(Cl)cc(C)c2O)n1 ZINC000818345811 628016762 /nfs/dbraw/zinc/01/67/62/628016762.db2.gz PJZMBEJPMQKFLG-JTQLQIEISA-N 0 0 308.813 3.125 20 10 DGCDRN CC[C@@H]([NH2+]Cc1nc2c(s1)COCC2)c1ccc(F)cc1[O-] ZINC000927119768 628020977 /nfs/dbraw/zinc/02/09/77/628020977.db2.gz ZYBWOXPGJWDFAX-GFCCVEGCSA-N 0 0 322.405 3.301 20 10 DGCDRN CCN1C(=O)N(c2cc(Cl)c(N)c(Cl)c2)C(=O)C1(C)C ZINC000927216516 628034472 /nfs/dbraw/zinc/03/44/72/628034472.db2.gz NFUDACMLMSYITH-UHFFFAOYSA-N 0 0 316.188 3.143 20 10 DGCDRN CC[C@@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)C(C)(C)O ZINC000818580110 628037713 /nfs/dbraw/zinc/03/77/13/628037713.db2.gz BSLFJOLVIXILOF-QGZVFWFLSA-N 0 0 314.429 3.373 20 10 DGCDRN CCN(C(=O)c1cc(C)n(-c2cccc(C)c2)c1C)[C@@H](C)CO ZINC000818634109 628045578 /nfs/dbraw/zinc/04/55/78/628045578.db2.gz JDGPKNLUFDMFHK-HNNXBMFYSA-N 0 0 314.429 3.245 20 10 DGCDRN CCCc1ccc(N2C(=O)CN(Cc3ccccc3O)C2=O)cc1 ZINC000819010049 628077500 /nfs/dbraw/zinc/07/75/00/628077500.db2.gz YMDAJEBFRPIIJN-UHFFFAOYSA-N 0 0 324.380 3.314 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@H](COC)C(C)C ZINC000927583858 628079892 /nfs/dbraw/zinc/07/98/92/628079892.db2.gz DNLMOMRWTCURLL-MRXNPFEDSA-N 0 0 322.449 3.232 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCC[C@H]1CCC2(CCC2)O1 ZINC000927728171 628096331 /nfs/dbraw/zinc/09/63/31/628096331.db2.gz KGOLXOPQNUXQRO-OAHLLOKOSA-N 0 0 318.417 3.025 20 10 DGCDRN CC[C@H]1CCCC[C@H]1N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819165234 628104111 /nfs/dbraw/zinc/10/41/11/628104111.db2.gz RAVNKIZFHNMDST-DZGCQCFKSA-N 0 0 316.401 3.125 20 10 DGCDRN C[C@H](C1CCCCC1)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819166618 628104469 /nfs/dbraw/zinc/10/44/69/628104469.db2.gz ZFBCTNMZVHKRIQ-CYBMUJFWSA-N 0 0 316.401 3.125 20 10 DGCDRN CC1(C)CCCC[C@@H]1N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819168619 628104549 /nfs/dbraw/zinc/10/45/49/628104549.db2.gz SFSKMDADBDTLIQ-HNNXBMFYSA-N 0 0 316.401 3.125 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H](Cc2nccs2)C1 ZINC000928275092 628136428 /nfs/dbraw/zinc/13/64/28/628136428.db2.gz YETZOKVKGWFFFS-SNVBAGLBSA-N 0 0 308.428 3.005 20 10 DGCDRN CC[C@@H](Cc1ccccc1C)C(=O)NCc1ccc(O)c(O)c1 ZINC000819398039 628147455 /nfs/dbraw/zinc/14/74/55/628147455.db2.gz HQSRGCXLJUWPPX-HNNXBMFYSA-N 0 0 313.397 3.291 20 10 DGCDRN COCc1nnc(N[C@H](C)Cc2ccc(N(C)C)cc2C)s1 ZINC000840384289 628153991 /nfs/dbraw/zinc/15/39/91/628153991.db2.gz HAIOHUGVLJJBDL-GFCCVEGCSA-N 0 0 320.462 3.102 20 10 DGCDRN CN(C(=O)C1CC1)c1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000928480718 628156134 /nfs/dbraw/zinc/15/61/34/628156134.db2.gz WPMBMWGZBNQCKM-UHFFFAOYSA-N 0 0 316.382 3.079 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)/C=C/[C@H]1CCCO1 ZINC000819524490 628166976 /nfs/dbraw/zinc/16/69/76/628166976.db2.gz MNQLSUPYUFAWFP-SIFUEBAJSA-N 0 0 303.402 3.256 20 10 DGCDRN CCC/C(C)=C\C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819583105 628171410 /nfs/dbraw/zinc/17/14/10/628171410.db2.gz SUUDJUQJZWHKAK-RTYFKUQISA-N 0 0 316.445 3.384 20 10 DGCDRN CC[C@@H](C)CC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819589949 628172002 /nfs/dbraw/zinc/17/20/02/628172002.db2.gz UWIUFFBEHAKVGM-HUUCEWRRSA-N 0 0 304.434 3.074 20 10 DGCDRN COc1ccc([C@H](C)CC(=O)NCc2c(O)cccc2F)cc1 ZINC000928705587 628179486 /nfs/dbraw/zinc/17/94/86/628179486.db2.gz LOUPSMRQDWLYTG-GFCCVEGCSA-N 0 0 317.360 3.350 20 10 DGCDRN Cc1ccc(CO[C@H](C)C(=O)NCc2c(O)cccc2F)cc1 ZINC000928710085 628180406 /nfs/dbraw/zinc/18/04/06/628180406.db2.gz GTUFEBVNHSSWPH-CYBMUJFWSA-N 0 0 317.360 3.061 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1conc1C1CCCC1 ZINC000928709623 628180419 /nfs/dbraw/zinc/18/04/19/628180419.db2.gz KEFDKCVGSPCUBW-UHFFFAOYSA-N 0 0 304.321 3.107 20 10 DGCDRN COc1ccc(CCCC(=O)NCc2c(O)cccc2F)cc1 ZINC000928712313 628180771 /nfs/dbraw/zinc/18/07/71/628180771.db2.gz QUGROGKICMYTMM-UHFFFAOYSA-N 0 0 317.360 3.179 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCc3cccnc32)cc1 ZINC000819844232 628195404 /nfs/dbraw/zinc/19/54/04/628195404.db2.gz YQRYKRFLFZFVQE-SFHVURJKSA-N 0 0 323.440 3.274 20 10 DGCDRN COc1ccc(N2CC[C@H](CNc3ncncc3Cl)C2)cc1 ZINC000819934985 628201274 /nfs/dbraw/zinc/20/12/74/628201274.db2.gz OTDRYDSSNHUWFF-GFCCVEGCSA-N 0 0 318.808 3.077 20 10 DGCDRN COc1ccc(N2CC[C@H](CNc3ncc(C)c(C)n3)C2)cc1 ZINC000819935206 628201474 /nfs/dbraw/zinc/20/14/74/628201474.db2.gz LGRXZWPVOANZPB-OAHLLOKOSA-N 0 0 312.417 3.040 20 10 DGCDRN CCSCC[C@@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820457827 628261499 /nfs/dbraw/zinc/26/14/99/628261499.db2.gz OVLSGWKDMXXBRY-LLVKDONJSA-N 0 0 322.434 3.453 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC3CCC2CC3)cc1 ZINC000821048827 628331514 /nfs/dbraw/zinc/33/15/14/628331514.db2.gz DMBUVOTULPLDOP-QIMFLAQGSA-N 0 0 300.362 3.158 20 10 DGCDRN COc1ccc(N(Cc2ccccc2)C[C@H]2CCC(=O)O2)cc1 ZINC000821391559 628363019 /nfs/dbraw/zinc/36/30/19/628363019.db2.gz OGHHPSRTHLIWGO-GOSISDBHSA-N 0 0 311.381 3.407 20 10 DGCDRN Cc1cc(C(=O)O[C@H](C)CC(C)(C)O)c(C)n1-c1ccccn1 ZINC000821592173 628386118 /nfs/dbraw/zinc/38/61/18/628386118.db2.gz WSFIYWREXGZCTR-CYBMUJFWSA-N 0 0 316.401 3.195 20 10 DGCDRN C[C@@H](CC(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CCCO1 ZINC000821844123 628403042 /nfs/dbraw/zinc/40/30/42/628403042.db2.gz YRVFEKRCVWBRNW-MAUKXSAKSA-N 0 0 316.445 3.108 20 10 DGCDRN Cc1cn2ccc(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cc2n1 ZINC000822084063 628420711 /nfs/dbraw/zinc/42/07/11/628420711.db2.gz ZXVKZCJSMNCRKQ-AWEZNQCLSA-N 0 0 322.412 3.200 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC[C@@H](C)O1 ZINC000822411897 628448861 /nfs/dbraw/zinc/44/88/61/628448861.db2.gz QNVFUENYRNMANZ-ZBFHGGJFSA-N 0 0 320.433 3.271 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC2CCC3(CC3)CC2)cc1 ZINC000822453127 628453291 /nfs/dbraw/zinc/45/32/91/628453291.db2.gz HJBCJFLMWIQNEI-UHFFFAOYSA-N 0 0 300.362 3.302 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C[C@H](C)[C@H]2CCCO2)cc1 ZINC000822608833 628470360 /nfs/dbraw/zinc/47/03/60/628470360.db2.gz YNVCLGTVEADRSP-MAUKXSAKSA-N 0 0 318.461 3.354 20 10 DGCDRN CC[C@H](CC(F)(F)F)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000822862603 628503916 /nfs/dbraw/zinc/50/39/16/628503916.db2.gz IPRFQRUULPVWAM-LLVKDONJSA-N 0 0 320.330 3.487 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1=CCCC1 ZINC000823099395 628526074 /nfs/dbraw/zinc/52/60/74/628526074.db2.gz ZFXAEVINYPZASJ-UHFFFAOYSA-N 0 0 301.434 3.394 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000823181138 628533860 /nfs/dbraw/zinc/53/38/60/628533860.db2.gz JNDHVDNPKVVWHZ-QKDCVEJESA-N 0 0 310.397 3.383 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)CCC3(C)CC3)C2)cc1 ZINC000823201718 628536624 /nfs/dbraw/zinc/53/66/24/628536624.db2.gz IQQPZJJJHCPIAG-OAHLLOKOSA-N 0 0 316.445 3.218 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNC(=O)CCC3(C)CC3)C2)cc1 ZINC000823201717 628536715 /nfs/dbraw/zinc/53/67/15/628536715.db2.gz IQQPZJJJHCPIAG-HNNXBMFYSA-N 0 0 316.445 3.218 20 10 DGCDRN CCC[C@H](OC)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000823213968 628537523 /nfs/dbraw/zinc/53/75/23/628537523.db2.gz UFBZFXOWQBMYCF-INIZCTEOSA-N 0 0 310.413 3.103 20 10 DGCDRN CCN(CC1CC1)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840478940 628554577 /nfs/dbraw/zinc/55/45/77/628554577.db2.gz KJNJXASIWKKJQK-OAHLLOKOSA-N 0 0 317.477 3.434 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC=C(F)C1 ZINC000840481523 628584898 /nfs/dbraw/zinc/58/48/98/628584898.db2.gz KCTYSIALTKYUIA-AWEZNQCLSA-N 0 0 319.424 3.261 20 10 DGCDRN CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000824182503 628635134 /nfs/dbraw/zinc/63/51/34/628635134.db2.gz WERUHSHFKGEPCA-WCQYABFASA-N 0 0 302.378 3.404 20 10 DGCDRN CC[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2[O-])CCO1 ZINC000824291783 628647920 /nfs/dbraw/zinc/64/79/20/628647920.db2.gz HLDSLNMSYVTDND-NEPJUHHUSA-N 0 0 314.223 3.202 20 10 DGCDRN c1cc(N2CCCCC2)ccc1CNCc1noc(C2CC2)n1 ZINC000824321991 628650630 /nfs/dbraw/zinc/65/06/30/628650630.db2.gz ZPOBKUNRTUDVMH-UHFFFAOYSA-N 0 0 312.417 3.227 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)CC(C)=C(C)C)C2)cc1 ZINC000824374229 628656314 /nfs/dbraw/zinc/65/63/14/628656314.db2.gz URWRZGBAVWWSOD-OAHLLOKOSA-N 0 0 302.418 3.137 20 10 DGCDRN CCC[C@H](C[NH2+]Cc1cc(C)cc(Br)c1[O-])OC ZINC000824544099 628668937 /nfs/dbraw/zinc/66/89/37/628668937.db2.gz TZZNEGFGUGLOKW-GFCCVEGCSA-N 0 0 316.239 3.368 20 10 DGCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCCF)cc1 ZINC000824778227 628692823 /nfs/dbraw/zinc/69/28/23/628692823.db2.gz QMSFIYPAAZBPIY-QGZVFWFLSA-N 0 0 322.424 3.010 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H]2CCC[C@H](C3CC3)C2)c(O)c1 ZINC000824859667 628701102 /nfs/dbraw/zinc/70/11/02/628701102.db2.gz OGVXCSVRZIJUDI-DZGCQCFKSA-N 0 0 318.417 3.169 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000824955785 628710892 /nfs/dbraw/zinc/71/08/92/628710892.db2.gz ZFQMYHTZHNFHJH-GDBMZVCRSA-N 0 0 318.804 3.451 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NCC[C@@H]2CC=CCC2)cc1 ZINC000824976158 628712494 /nfs/dbraw/zinc/71/24/94/628712494.db2.gz QFRORAMXILUFCJ-GFCCVEGCSA-N 0 0 300.362 3.325 20 10 DGCDRN CCOc1ccc(O)c(C[N@@H+]2CCc3cccc(OC)c3C2)c1 ZINC000824983165 628713065 /nfs/dbraw/zinc/71/30/65/628713065.db2.gz SAJOBEGGRNHTJE-UHFFFAOYSA-N 0 0 313.397 3.358 20 10 DGCDRN CCOCc1cc(CN[C@H](C)c2nccn2CC)ccc1OC ZINC000825005381 628715484 /nfs/dbraw/zinc/71/54/84/628715484.db2.gz JBTYJUULPZEYOH-CQSZACIVSA-N 0 0 317.433 3.299 20 10 DGCDRN Cc1cc(Cl)cc(CN2CC[S@@](=O)C(C)(C)CC2)c1O ZINC000825025202 628717315 /nfs/dbraw/zinc/71/73/15/628717315.db2.gz ZJQKTGSQEBFDCD-HXUWFJFHSA-N 0 0 315.866 3.087 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCCC23CC3)cc1 ZINC000825080619 628725779 /nfs/dbraw/zinc/72/57/79/628725779.db2.gz SPSJUQZEQPSCGT-LBPRGKRZSA-N 0 0 300.362 3.159 20 10 DGCDRN C[C@@H](O)CN(Cc1ccc(N2CCCCC2)cc1)CC(F)F ZINC000825098170 628727608 /nfs/dbraw/zinc/72/76/08/628727608.db2.gz BTYODEFIAHFGFK-CQSZACIVSA-N 0 0 312.404 3.125 20 10 DGCDRN CC1(C)CCCN1CC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000825331370 628751041 /nfs/dbraw/zinc/75/10/41/628751041.db2.gz FJGBHPMZPZLCMS-UHFFFAOYSA-N 0 0 300.805 3.149 20 10 DGCDRN Cc1cc(O)c(CN[C@H](C)c2nnc(C(C)C)[nH]2)cc1Cl ZINC000825396787 628757377 /nfs/dbraw/zinc/75/73/77/628757377.db2.gz XTOJUDWWLFYQFR-SNVBAGLBSA-N 0 0 308.813 3.446 20 10 DGCDRN COc1ccc(N(C)Cc2c(C(F)(F)F)cnn2C)cc1F ZINC000825468870 628764652 /nfs/dbraw/zinc/76/46/52/628764652.db2.gz QYSSDNHQTFXEHM-UHFFFAOYSA-N 0 0 317.286 3.223 20 10 DGCDRN O=C(Nc1c(F)cccc1N1CCCC1)C1=CC(=O)CS1 ZINC000825597316 628775954 /nfs/dbraw/zinc/77/59/54/628775954.db2.gz MOQZCAZZFIKIME-UHFFFAOYSA-N 0 0 306.362 3.445 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCC2CCC(F)CC2)cc1 ZINC000825602339 628776409 /nfs/dbraw/zinc/77/64/09/628776409.db2.gz JNOZTWKASXIBDN-UHFFFAOYSA-N 0 0 307.413 3.080 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)CCCC(=O)C(C)(C)C)c1 ZINC000825736966 628793048 /nfs/dbraw/zinc/79/30/48/628793048.db2.gz OHXVAESDELQZBT-LBPRGKRZSA-N 0 0 321.417 3.364 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc3c([nH]2)CCCC3)c1 ZINC000825736774 628793277 /nfs/dbraw/zinc/79/32/77/628793277.db2.gz JKDMZAZYOVGCDA-LLVKDONJSA-N 0 0 314.385 3.099 20 10 DGCDRN CC(C)(CNC(=O)c1ccc(N=NC(N)=O)cc1)C(C)(F)F ZINC000825799971 628798803 /nfs/dbraw/zinc/79/88/03/628798803.db2.gz ZKKRKCNKJDQTON-UHFFFAOYSA-N 0 0 312.320 3.260 20 10 DGCDRN CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2O)CCO1 ZINC000826130731 628830174 /nfs/dbraw/zinc/83/01/74/628830174.db2.gz LWQALGGVNSRJCB-QWHCGFSZSA-N 0 0 314.223 3.202 20 10 DGCDRN O=C(CC1CC(F)(F)C1)NCc1c(O)ccc2c1CCCC2 ZINC000826137436 628830516 /nfs/dbraw/zinc/83/05/16/628830516.db2.gz RJORQYGCDFFQCZ-UHFFFAOYSA-N 0 0 309.356 3.323 20 10 DGCDRN CCN(C)c1ccc([C@H](C)[NH2+]C2CCC(NC(=O)[O-])CC2)cc1 ZINC000826992877 628911170 /nfs/dbraw/zinc/91/11/70/628911170.db2.gz WKJBQQKGWMHHHI-JEYLPNPQSA-N 0 0 319.449 3.372 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000827172347 628931721 /nfs/dbraw/zinc/93/17/21/628931721.db2.gz RIAMONHTGZNRPA-HOCLYGCPSA-N 0 0 307.752 3.453 20 10 DGCDRN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])CC1=CCCOC1 ZINC000827185069 628933836 /nfs/dbraw/zinc/93/38/36/628933836.db2.gz MHYSQRRKTMHYPU-UHFFFAOYSA-N 0 0 302.201 3.478 20 10 DGCDRN C[C@]12COC[C@H]1C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC000827284701 628945814 /nfs/dbraw/zinc/94/58/14/628945814.db2.gz VMMCUPDCULMQCR-YGRLFVJLSA-N 0 0 302.201 3.167 20 10 DGCDRN COc1cc(O)c(CNc2ccc3c(c2)CCOC3)cc1OC ZINC000827314110 628948422 /nfs/dbraw/zinc/94/84/22/628948422.db2.gz VMFZODRMOOYQLG-UHFFFAOYSA-N 0 0 315.369 3.094 20 10 DGCDRN CC(C)c1nnc(N[C@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000827457885 628961360 /nfs/dbraw/zinc/96/13/60/628961360.db2.gz KKEQIDOMSXISRC-CYBMUJFWSA-N 0 0 316.405 3.203 20 10 DGCDRN COc1cccc(CNC(=O)NC[C@H]2CC3CCC2CC3)c1O ZINC000827464228 628961801 /nfs/dbraw/zinc/96/18/01/628961801.db2.gz YIDFOZKJZVOITP-SSDMNJCBSA-N 0 0 318.417 3.026 20 10 DGCDRN COc1ccc(N(C)C[C@@H](Cc2ccccc2)OC)cc1OC ZINC000827492089 628963517 /nfs/dbraw/zinc/96/35/17/628963517.db2.gz ULAWQAUWOHGWQG-QGZVFWFLSA-N 0 0 315.413 3.398 20 10 DGCDRN COc1ccc(N2CCC(Nc3nnc(C(C)C)o3)CC2)cc1 ZINC000827537245 628968721 /nfs/dbraw/zinc/96/87/21/628968721.db2.gz FEFMIPMMFJYLTH-UHFFFAOYSA-N 0 0 316.405 3.283 20 10 DGCDRN CC(C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)=C1CCC1 ZINC000827557918 628970806 /nfs/dbraw/zinc/97/08/06/628970806.db2.gz RMZQFBKLRTWKNO-KRWDZBQOSA-N 0 0 315.413 3.400 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)cc1 ZINC000827630131 628977984 /nfs/dbraw/zinc/97/79/84/628977984.db2.gz FHNRHDCCYXMVMM-HRCADAONSA-N 0 0 301.434 3.083 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)c1ccc([N+](=O)[O-])nc1 ZINC000827783737 628991048 /nfs/dbraw/zinc/99/10/48/628991048.db2.gz PILVIWMOSCDRJW-UHFFFAOYSA-N 0 0 300.362 3.082 20 10 DGCDRN Cc1cccc(CN2C[C@@H](C)O[C@H](CC(F)(F)F)C2)c1O ZINC000827786748 628991081 /nfs/dbraw/zinc/99/10/81/628991081.db2.gz LKMPLEFQFWTQSZ-DGCLKSJQSA-N 0 0 303.324 3.242 20 10 DGCDRN C[N@H+](CC1=CCSC1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000827807170 628993283 /nfs/dbraw/zinc/99/32/83/628993283.db2.gz ZGHMRYFJYCAALF-UHFFFAOYSA-N 0 0 314.794 3.059 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1O ZINC000827923442 629003847 /nfs/dbraw/zinc/00/38/47/629003847.db2.gz QDWKKKDIESTPHA-GFCCVEGCSA-N 0 0 324.380 3.232 20 10 DGCDRN C[C@@H](NC(=O)c1ccc2c(c1)OCCCO2)c1ccccc1O ZINC000827923775 629004150 /nfs/dbraw/zinc/00/41/50/629004150.db2.gz ZUTHCGCJTFVUAX-GFCCVEGCSA-N 0 0 313.353 3.045 20 10 DGCDRN CC(C)[C@@H]1C[C@@H](CC(=O)N[C@H](C)c2ccccc2O)CCO1 ZINC000827941745 629005845 /nfs/dbraw/zinc/00/58/45/629005845.db2.gz XNUSRGLPZITQHY-KEYYUXOJSA-N 0 0 305.418 3.411 20 10 DGCDRN Cc1ccc([C@H](C)[C@@H](O)C(=O)N[C@H](C)c2ccccc2O)cc1 ZINC000827941321 629006110 /nfs/dbraw/zinc/00/61/10/629006110.db2.gz QFNBNZCUQTWZIP-PMUMKWKESA-N 0 0 313.397 3.042 20 10 DGCDRN Cc1cc2c(cc1C)[C@H](C(=O)N[C@H](C)c1ccccc1O)CO2 ZINC000827940618 629006170 /nfs/dbraw/zinc/00/61/70/629006170.db2.gz GKCIWVMJMMZTRF-CZUORRHYSA-N 0 0 311.381 3.362 20 10 DGCDRN Cc1nsc(NC2CC2)c1C(=O)N[C@H](C)c1ccccc1O ZINC000827946217 629006403 /nfs/dbraw/zinc/00/64/03/629006403.db2.gz AOXSKFAFLIWVDW-SECBINFHSA-N 0 0 317.414 3.222 20 10 DGCDRN C[C@@H](NC(=O)[C@@H]1CCCc2c(O)cccc21)c1ccccc1O ZINC000827946569 629006596 /nfs/dbraw/zinc/00/65/96/629006596.db2.gz MJNDDSSLIRTSMU-MLGOLLRUSA-N 0 0 311.381 3.395 20 10 DGCDRN CC(C)[C@H](C(=O)N[C@H](C)c1ccccc1O)C(=O)OC(C)(C)C ZINC000827952388 629006855 /nfs/dbraw/zinc/00/68/55/629006855.db2.gz QTEWSYGSSUCRMQ-IUODEOHRSA-N 0 0 321.417 3.183 20 10 DGCDRN COc1ccc([C@@H]2C[C@H]2C(=O)N[C@H](C)c2ccccc2O)cc1 ZINC000827952470 629007213 /nfs/dbraw/zinc/00/72/13/629007213.db2.gz UANONJLTZRGDJV-OAUYIBNBSA-N 0 0 311.381 3.382 20 10 DGCDRN C[C@@H](NC(=O)[C@@]1(C)CC(c2ccccc2)=NO1)c1ccccc1O ZINC000827952584 629007804 /nfs/dbraw/zinc/00/78/04/629007804.db2.gz XXYBEAJBPVEKAJ-BFUOFWGJSA-N 0 0 324.380 3.153 20 10 DGCDRN Cc1ccccc1CO[C@@H](C)C(=O)N[C@@H](C)c1ccccc1O ZINC000827957651 629008349 /nfs/dbraw/zinc/00/83/49/629008349.db2.gz XJVCOHMLOPJWMB-GJZGRUSLSA-N 0 0 313.397 3.483 20 10 DGCDRN CSCc1cccnc1C(=O)N[C@@H](C)c1ccccc1O ZINC000827964318 629008653 /nfs/dbraw/zinc/00/86/53/629008653.db2.gz KUNUWPCCUKZMMP-NSHDSACASA-N 0 0 302.399 3.141 20 10 DGCDRN Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N[C@@H](C)c1ccccc1O ZINC000827973168 629009768 /nfs/dbraw/zinc/00/97/68/629009768.db2.gz JKYWWTYSLBYYRR-QWRGUYRKSA-N 0 0 301.390 3.103 20 10 DGCDRN C[C@H](NC(=O)c1cccc(NC(=O)C2CC2)c1)c1ccccc1O ZINC000827984391 629010880 /nfs/dbraw/zinc/01/08/80/629010880.db2.gz CRQCQGXOJJTFDO-LBPRGKRZSA-N 0 0 324.380 3.232 20 10 DGCDRN CC1=NN(c2ccc(C(=O)N[C@@H](C)c3ccccc3O)cc2)CC1 ZINC000827982165 629010984 /nfs/dbraw/zinc/01/09/84/629010984.db2.gz MQVZXWJLCBGTEO-AWEZNQCLSA-N 0 0 323.396 3.469 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)c2ccccc2O)nn1C(C)(C)C ZINC000827982341 629010989 /nfs/dbraw/zinc/01/09/89/629010989.db2.gz SYQZPCNUYKWDCK-LBPRGKRZSA-N 0 0 301.390 3.143 20 10 DGCDRN CCc1c(C(=O)N[C@@H](C)c2ccccc2O)cnn1C(C)(C)C ZINC000827982043 629011063 /nfs/dbraw/zinc/01/10/63/629011063.db2.gz LVSPBNJOMTZQSI-LBPRGKRZSA-N 0 0 315.417 3.397 20 10 DGCDRN CCCONC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000828268066 629039921 /nfs/dbraw/zinc/03/99/21/629039921.db2.gz CTZHBNWOZSQEJN-UHFFFAOYSA-N 0 0 305.422 3.064 20 10 DGCDRN C[C@@H](NC(=O)C[C@@H]1CC[C@@H](C(F)(F)F)O1)c1ccccc1O ZINC000828539443 629064359 /nfs/dbraw/zinc/06/43/59/629064359.db2.gz OUJQBZHTPQJRBA-NRUUGDAUSA-N 0 0 317.307 3.069 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1cc(C2CC2)no1 ZINC000830146380 629230725 /nfs/dbraw/zinc/23/07/25/629230725.db2.gz IEXKDEFARJAYMQ-UHFFFAOYSA-N 0 0 314.385 3.239 20 10 DGCDRN COc1ccc([C@@H]2C[C@H]2CC(=O)NCc2ccccc2O)cc1 ZINC000830526020 629281050 /nfs/dbraw/zinc/28/10/50/629281050.db2.gz ARKFBYZLRDMLCP-RDJZCZTQSA-N 0 0 311.381 3.211 20 10 DGCDRN COc1ccc(O)c(CNC(=O)C2[C@@H]3CCCCCC[C@@H]23)c1 ZINC000830544430 629282373 /nfs/dbraw/zinc/28/23/73/629282373.db2.gz PVBWOGHDVHCUJO-HUUCEWRRSA-N 0 0 303.402 3.233 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)Cc2cc(C)cc(C)c2)c1 ZINC000830541182 629282507 /nfs/dbraw/zinc/28/25/07/629282507.db2.gz UJQWCULJFLDHPO-AWEZNQCLSA-N 0 0 313.397 3.438 20 10 DGCDRN Nc1ccc(CC(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000831133197 629342443 /nfs/dbraw/zinc/34/24/43/629342443.db2.gz SSSNOMDGOBHQKT-CHWSQXEVSA-N 0 0 314.351 3.296 20 10 DGCDRN O=C(NCCC1CC=CC1)c1cc2cc(O)c(O)cc2s1 ZINC000831420077 629375335 /nfs/dbraw/zinc/37/53/35/629375335.db2.gz HKPUNHNDKSGYRJ-UHFFFAOYSA-N 0 0 303.383 3.399 20 10 DGCDRN COc1ccc(N(CC2CC2)C[C@H]2CC3(CC3)C(=O)O2)cc1 ZINC000831588038 629394018 /nfs/dbraw/zinc/39/40/18/629394018.db2.gz RWPLIPZBZVBRBL-MRXNPFEDSA-N 0 0 301.386 3.007 20 10 DGCDRN O=C(NC[C@@H]1[C@@H](c2ccccc2)C1(F)F)C1=CC(=O)CS1 ZINC000831880480 629421897 /nfs/dbraw/zinc/42/18/97/629421897.db2.gz OLGOSBUTDFQEHZ-DGCLKSJQSA-N 0 0 309.337 3.232 20 10 DGCDRN C[C@H](NC(=O)Nc1cccnc1F)c1ccc(N(C)C)cc1 ZINC000832064574 629439357 /nfs/dbraw/zinc/43/93/57/629439357.db2.gz RLEUWBSQPDUJHY-NSHDSACASA-N 0 0 302.353 3.169 20 10 DGCDRN CO[C@@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1CCCC1 ZINC000832437309 629480013 /nfs/dbraw/zinc/48/00/13/629480013.db2.gz ZDAGJDHXZYAIKJ-CXAGYDPISA-N 0 0 304.434 3.135 20 10 DGCDRN Cc1nc(CC(C)C)sc1C(=O)NCCc1ccc(N)cc1 ZINC000832659154 629502890 /nfs/dbraw/zinc/50/28/90/629502890.db2.gz OLMLTCPCCNTYHI-UHFFFAOYSA-N 0 0 317.458 3.205 20 10 DGCDRN COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C(=O)[O-])ccc2F)c1 ZINC000833733515 629644194 /nfs/dbraw/zinc/64/41/94/629644194.db2.gz JJGDMFCEFLWXGO-SNVBAGLBSA-N 0 0 319.332 3.089 20 10 DGCDRN c1cc(N2CCCCC2)ccc1CNc1nc2n(n1)CCCC2 ZINC000834482643 629716343 /nfs/dbraw/zinc/71/63/43/629716343.db2.gz MVUPOBOUMWIWPB-UHFFFAOYSA-N 0 0 311.433 3.217 20 10 DGCDRN CC[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(F)F ZINC000834828156 629785334 /nfs/dbraw/zinc/78/53/34/629785334.db2.gz PUZXCIVTKABKLP-SMDDNHRTSA-N 0 0 316.367 3.357 20 10 DGCDRN C[C@@H](CCO)CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000834829947 629786245 /nfs/dbraw/zinc/78/62/45/629786245.db2.gz AGIJUFUEFBIGSR-MNOVXSKESA-N 0 0 305.340 3.470 20 10 DGCDRN CC[C@H]([NH2+]C[C@H]1CCOC[C@H]1OC)c1cccc(Cl)c1[O-] ZINC000834880698 629796425 /nfs/dbraw/zinc/79/64/25/629796425.db2.gz OEARSWVGDCYVLJ-BYCMXARLSA-N 0 0 313.825 3.138 20 10 DGCDRN Cc1ccc(O)c([C@@H](C)Nc2ccc(O[C@@H]3CC(=O)N3)cc2)c1 ZINC000834895259 629800448 /nfs/dbraw/zinc/80/04/48/629800448.db2.gz HDMPSZSNQRJDFO-KZULUSFZSA-N 0 0 312.369 3.099 20 10 DGCDRN Cc1ccc([C@@H](C)Nc2ccc(O[C@@H]3CC(=O)N3)cc2)c(O)c1 ZINC000834898916 629801983 /nfs/dbraw/zinc/80/19/83/629801983.db2.gz SSFIXYKARJVKFA-KZULUSFZSA-N 0 0 312.369 3.099 20 10 DGCDRN CC[C@H]([NH2+][C@H](C)CC(=O)NC)c1ccc(Cl)c(Cl)c1[O-] ZINC000834898925 629802189 /nfs/dbraw/zinc/80/21/89/629802189.db2.gz CECOXCIRNDDCKH-KCJUWKMLSA-N 0 0 319.232 3.264 20 10 DGCDRN C[C@@H]([NH2+]CCC1CC(F)(F)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834910314 629806740 /nfs/dbraw/zinc/80/67/40/629806740.db2.gz WJAABRZIYSXJCL-SECBINFHSA-N 0 0 300.305 3.386 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834910998 629806805 /nfs/dbraw/zinc/80/68/05/629806805.db2.gz QXSOQHBJARFADG-RYUDHWBXSA-N 0 0 308.378 3.156 20 10 DGCDRN CC[C@H]([NH2+][C@H]1C[C@@H]2CCCCN2C1=O)c1cccc(Cl)c1[O-] ZINC000834916440 629808364 /nfs/dbraw/zinc/80/83/64/629808364.db2.gz YTHMCLPTDVPVSS-CQDKDKBSSA-N 0 0 322.836 3.240 20 10 DGCDRN CN(C)c1ccc(/C=C\CNc2ccc3c(c2)C(=O)NCC3)cc1 ZINC000835045013 629834042 /nfs/dbraw/zinc/83/40/42/629834042.db2.gz RCBFSGIFZBUGPJ-ARJAWSKDSA-N 0 0 321.424 3.164 20 10 DGCDRN COC[C@@H](C)n1ccc(NC/C=C\c2ccc(N(C)C)cc2)n1 ZINC000835047188 629834713 /nfs/dbraw/zinc/83/47/13/629834713.db2.gz ZZSZCTDNJZKLNO-IYKSTZQJSA-N 0 0 314.433 3.282 20 10 DGCDRN Cc1noc([C@H]2CCCN2C/C=C/c2ccc(N(C)C)cc2)n1 ZINC000835052916 629837519 /nfs/dbraw/zinc/83/75/19/629837519.db2.gz IPMBFLWYSIOPJP-UKINESCASA-N 0 0 312.417 3.294 20 10 DGCDRN CN(C)c1ccc(/C=C\CN2CCOc3cc(O)ccc3C2)cc1 ZINC000835054236 629838640 /nfs/dbraw/zinc/83/86/40/629838640.db2.gz TVXAWWDFIGDVHL-ARJAWSKDSA-N 0 0 324.424 3.366 20 10 DGCDRN CN(C)c1ccc(/C=C\CNCc2noc3c2CCCC3)cc1 ZINC000835054190 629838677 /nfs/dbraw/zinc/83/86/77/629838677.db2.gz SEIQKUTYOQYRRH-WAYWQWQTSA-N 0 0 311.429 3.422 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@@]2(C)CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000835075312 629844636 /nfs/dbraw/zinc/84/46/36/629844636.db2.gz XKZGFDFNOSOIBL-BZNIZROVSA-N 0 0 308.378 3.367 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2C[C@H](C3CC3)[C@H]2C2CC2)cc1 ZINC000836237113 630087967 /nfs/dbraw/zinc/08/79/67/630087967.db2.gz WILXXKWPNUWSQE-QZTJIDSGSA-N 0 0 313.445 3.083 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@H](C2CC2)C2CCC2)cc1 ZINC000836250357 630089869 /nfs/dbraw/zinc/08/98/69/630089869.db2.gz NIDFLRWVZUAZSX-KRWDZBQOSA-N 0 0 301.434 3.131 20 10 DGCDRN C[C@H](NC(=O)NC[C@@H]1C[C@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000836405408 630110045 /nfs/dbraw/zinc/11/00/45/630110045.db2.gz FYRBRJXFELRJSY-NUTKFTJISA-N 0 0 301.434 3.159 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C2CCC2)CCC1 ZINC000836781650 630161882 /nfs/dbraw/zinc/16/18/82/630161882.db2.gz OAXVKJWDZUDSFZ-LBPRGKRZSA-N 0 0 303.402 3.115 20 10 DGCDRN COc1ccc(N(CC2CC2)C(=O)/C=C/c2cncc(O)c2)cc1 ZINC000836840786 630172351 /nfs/dbraw/zinc/17/23/51/630172351.db2.gz RZZWZJNQKXSHHH-RUDMXATFSA-N 0 0 324.380 3.252 20 10 DGCDRN Nc1ccc(CNC(=O)CSc2ccc3c(c2)CCC3)cc1 ZINC000837303360 630237398 /nfs/dbraw/zinc/23/73/98/630237398.db2.gz JAGUKKKSSQZJTI-UHFFFAOYSA-N 0 0 312.438 3.166 20 10 DGCDRN CCCC(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000837338426 630243164 /nfs/dbraw/zinc/24/31/64/630243164.db2.gz WPAZEEHDNJNYQJ-UHFFFAOYSA-N 0 0 318.348 3.154 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)CC(F)(F)F ZINC000837424902 630256082 /nfs/dbraw/zinc/25/60/82/630256082.db2.gz YVSASDNNYBWDPW-LLVKDONJSA-N 0 0 302.340 3.266 20 10 DGCDRN CCC(C)(C)OCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000837480015 630264485 /nfs/dbraw/zinc/26/44/85/630264485.db2.gz FFZGSDCEEHVWMK-UHFFFAOYSA-N 0 0 305.418 3.092 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000837606365 630284439 /nfs/dbraw/zinc/28/44/39/630284439.db2.gz URGAWBYYUXJROU-NUEKZKHPSA-N 0 0 315.413 3.136 20 10 DGCDRN COc1ccc(NC(=S)NCc2ccc(C)c(C)n2)cc1F ZINC000840843156 630365983 /nfs/dbraw/zinc/36/59/83/630365983.db2.gz BUPMPGWVCKBUTF-UHFFFAOYSA-N 0 0 319.405 3.333 20 10 DGCDRN Cc1cc(O)c(CN2C[C@]3(CCCO3)[C@@H]2C2CC2)c(Cl)c1 ZINC000840948960 630382933 /nfs/dbraw/zinc/38/29/33/630382933.db2.gz KEESNJOCOFMNKF-DLBZAZTESA-N 0 0 307.821 3.497 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH+]1CCC(c2ccncn2)CC1 ZINC000840952952 630383198 /nfs/dbraw/zinc/38/31/98/630383198.db2.gz CVGAAGMBCALXGO-UHFFFAOYSA-N 0 0 321.783 3.354 20 10 DGCDRN COC(=O)[C@@H](CC1CC1)NCc1ccc(N2CCCCC2)cc1 ZINC000840958724 630385879 /nfs/dbraw/zinc/38/58/79/630385879.db2.gz RLWYNHPRBOKLKM-GOSISDBHSA-N 0 0 316.445 3.108 20 10 DGCDRN CCN(Cc1ccccc1)c1ccc(C[NH+]2CC(C(=O)[O-])C2)cc1 ZINC000840999446 630393723 /nfs/dbraw/zinc/39/37/23/630393723.db2.gz WZGKNZMCFDOSCF-UHFFFAOYSA-N 0 0 324.424 3.230 20 10 DGCDRN [O-]c1c(Cl)cccc1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000841101303 630408152 /nfs/dbraw/zinc/40/81/52/630408152.db2.gz RVAOCDMKFWXXBU-INIZCTEOSA-N 0 0 302.805 3.192 20 10 DGCDRN CCC1(CC)CCC(NC(=O)C(=O)Nc2ccc(N)cc2)CC1 ZINC000841114267 630409372 /nfs/dbraw/zinc/40/93/72/630409372.db2.gz SUPYFFVMGFSHKO-UHFFFAOYSA-N 0 0 317.433 3.073 20 10 DGCDRN CC[C@H](C)n1ncc(NC(=O)NCCc2ccc(N)cc2)c1C ZINC000841214447 630416798 /nfs/dbraw/zinc/41/67/98/630416798.db2.gz KSMODFKLYMTPMN-LBPRGKRZSA-N 0 0 315.421 3.109 20 10 DGCDRN COc1cc(NC(=O)NCCc2ccc(N)cc2)c(C)cc1C ZINC000841226621 630418079 /nfs/dbraw/zinc/41/80/79/630418079.db2.gz ODQLKRBROSERMP-UHFFFAOYSA-N 0 0 313.401 3.258 20 10 DGCDRN CCN(C[C@H](O)c1ccc(C)cc1)C(=O)Nc1ccc(N)cc1 ZINC000841298621 630424502 /nfs/dbraw/zinc/42/45/02/630424502.db2.gz CDBXRGLLWIFHOO-KRWDZBQOSA-N 0 0 313.401 3.165 20 10 DGCDRN C[C@@]1(c2ccccc2)CN(C(=O)Nc2ccc(N)cc2)CCO1 ZINC000841300867 630424941 /nfs/dbraw/zinc/42/49/41/630424941.db2.gz UZFHUNZKVVRTPQ-SFHVURJKSA-N 0 0 311.385 3.048 20 10 DGCDRN C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(N)cc1 ZINC000841299798 630425052 /nfs/dbraw/zinc/42/50/52/630425052.db2.gz OEFLUDIWGRECTC-VHSXEESVSA-N 0 0 301.312 3.464 20 10 DGCDRN Nc1ccc(NC(=O)N2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000841299289 630425067 /nfs/dbraw/zinc/42/50/67/630425067.db2.gz IILMKXCYJOGQTA-CVEARBPZSA-N 0 0 315.417 3.082 20 10 DGCDRN CCc1cccc2c1OCC[C@H]2NC(=O)Nc1ccc(N)cc1 ZINC000841301270 630425443 /nfs/dbraw/zinc/42/54/43/630425443.db2.gz HUUOJDKXGRQUQQ-MRXNPFEDSA-N 0 0 311.385 3.477 20 10 DGCDRN CC(C)Oc1ccc(CCNC(=O)Nc2ccc(N)cc2)cc1 ZINC000841301634 630425679 /nfs/dbraw/zinc/42/56/79/630425679.db2.gz BKFMYGHSCKSBJQ-UHFFFAOYSA-N 0 0 313.401 3.420 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1SCCCS1 ZINC000841384751 630435285 /nfs/dbraw/zinc/43/52/85/630435285.db2.gz DHUQVXBKCUJFII-UHFFFAOYSA-N 0 0 324.515 3.297 20 10 DGCDRN COc1cc(C)ccc1/C=C1/SC(=S)N(C2CC2)C1=O ZINC000841497358 630442187 /nfs/dbraw/zinc/44/21/87/630442187.db2.gz WGRRBYFLXDMXLK-MDWZMJQESA-N 0 0 305.424 3.367 20 10 DGCDRN CC[C@@H](NC(=O)NCc1ccc(OC)cc1O)[C@H]1CC1(C)C ZINC000841594101 630447127 /nfs/dbraw/zinc/44/71/27/630447127.db2.gz PSVFOACLQULIRF-ZIAGYGMSSA-N 0 0 306.406 3.025 20 10 DGCDRN C[C@@H]([NH2+]CCCOC[C@H]1CCCO1)c1ccc(Cl)cc1[O-] ZINC000841745352 630462027 /nfs/dbraw/zinc/46/20/27/630462027.db2.gz YFOBSPMWRZPJGV-TZMCWYRMSA-N 0 0 313.825 3.282 20 10 DGCDRN C[C@H]([NH2+]CCCOC1CCOCC1)c1ccc(Cl)cc1[O-] ZINC000841752281 630462362 /nfs/dbraw/zinc/46/23/62/630462362.db2.gz SBFKUGSHZRHVNY-LBPRGKRZSA-N 0 0 313.825 3.282 20 10 DGCDRN Cc1cc(C)c(CNC(=O)NCCc2ccc(N)cc2)c(C)c1 ZINC000841757707 630462757 /nfs/dbraw/zinc/46/27/57/630462757.db2.gz PNYAAMRGMKYHAO-UHFFFAOYSA-N 0 0 311.429 3.236 20 10 DGCDRN COc1ccc(C[NH2+]C[C@@H](CC(=O)[O-])c2ccccc2)cc1C ZINC000841793217 630465041 /nfs/dbraw/zinc/46/50/41/630465041.db2.gz AONHIUZFINUGCY-QGZVFWFLSA-N 0 0 313.397 3.352 20 10 DGCDRN Cc1cc(C)cc([C@H](C)NC(=O)NCCc2ccc(N)cc2)c1 ZINC000841797519 630465898 /nfs/dbraw/zinc/46/58/98/630465898.db2.gz SDGXYRMWBWCEKE-HNNXBMFYSA-N 0 0 311.429 3.489 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]CC2(C(=O)[O-])CCC2)cc1F ZINC000841810759 630467093 /nfs/dbraw/zinc/46/70/93/630467093.db2.gz LURDCTJWVVAGTI-UHFFFAOYSA-N 0 0 308.397 3.016 20 10 DGCDRN O=C([O-])[C@@H](CC1CCC1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000841818931 630468545 /nfs/dbraw/zinc/46/85/45/630468545.db2.gz UBSSHWMINMQJFV-GOSISDBHSA-N 0 0 316.445 3.410 20 10 DGCDRN C[C@@H](CNC(=O)NCCc1ccc(N)cc1)Cc1cccs1 ZINC000841836644 630470276 /nfs/dbraw/zinc/47/02/76/630470276.db2.gz XSOIVCRNFQIXNH-CYBMUJFWSA-N 0 0 317.458 3.051 20 10 DGCDRN CC(C)c1cccc(CNC(=O)NCCc2ccc(N)cc2)c1 ZINC000841879551 630472445 /nfs/dbraw/zinc/47/24/45/630472445.db2.gz PIVIDLCOMREOHZ-UHFFFAOYSA-N 0 0 311.429 3.434 20 10 DGCDRN C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)NCCc1ccc(N)cc1 ZINC000841954239 630476448 /nfs/dbraw/zinc/47/64/48/630476448.db2.gz KLDOBEICPWBSTQ-MAUKXSAKSA-N 0 0 323.440 3.399 20 10 DGCDRN CON(C[C@H]1CCC[C@@H](C)C1)C(=O)NCCc1ccc(N)cc1 ZINC000841956249 630476756 /nfs/dbraw/zinc/47/67/56/630476756.db2.gz ZSTCELOQWRADFL-ZBFHGGJFSA-N 0 0 319.449 3.211 20 10 DGCDRN C[C@@]1(c2ccccc2)CCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841957185 630476969 /nfs/dbraw/zinc/47/69/69/630476969.db2.gz GIICQIVMOJSACH-HXUWFJFHSA-N 0 0 323.440 3.185 20 10 DGCDRN CC(C)N(Cc1ccccc1)C(=O)NCCc1ccc(N)cc1 ZINC000841956811 630476987 /nfs/dbraw/zinc/47/69/87/630476987.db2.gz JFGXZWAVTLAXIY-UHFFFAOYSA-N 0 0 311.429 3.432 20 10 DGCDRN CC(C)C[C@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841960346 630477147 /nfs/dbraw/zinc/47/71/47/630477147.db2.gz NTOKEIKHQFIZFB-MRXNPFEDSA-N 0 0 303.450 3.279 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@H](CC(C)C)OC ZINC000842187320 630503986 /nfs/dbraw/zinc/50/39/86/630503986.db2.gz UZOKJIJPGBKEJH-INIZCTEOSA-N 0 0 322.449 3.375 20 10 DGCDRN CC/C(C)=C\C(=O)OC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000842873761 630587879 /nfs/dbraw/zinc/58/78/79/630587879.db2.gz JJPWMHUPBZUZIM-SZGZABIGSA-N 0 0 303.402 3.421 20 10 DGCDRN CCC1(C(=O)OC[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000842877747 630588471 /nfs/dbraw/zinc/58/84/71/630588471.db2.gz CTISYDJWHIEBPF-CQSZACIVSA-N 0 0 303.402 3.255 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)[C@H]3CC=CCC3)C2)cc1 ZINC000842880925 630588901 /nfs/dbraw/zinc/58/89/01/630588901.db2.gz HEISKASRVAQFFV-CVEARBPZSA-N 0 0 315.413 3.421 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)[C@H]3CC=CCC3)C2)cc1 ZINC000842880926 630589117 /nfs/dbraw/zinc/58/91/17/630589117.db2.gz HEISKASRVAQFFV-HOTGVXAUSA-N 0 0 315.413 3.421 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)[C@@H](C)C3CC3)C2)cc1 ZINC000842880515 630589196 /nfs/dbraw/zinc/58/91/96/630589196.db2.gz YTLDGDMXQJGFAS-UONOGXRCSA-N 0 0 303.402 3.111 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)c3ccccc3)C2)cc1 ZINC000842880943 630589204 /nfs/dbraw/zinc/58/92/04/630589204.db2.gz HVUOJRFKFMFBDL-HNNXBMFYSA-N 0 0 311.381 3.379 20 10 DGCDRN COc1cccc(CNC(=O)Nc2cccc(SC)c2)c1O ZINC000104970835 630600573 /nfs/dbraw/zinc/60/05/73/630600573.db2.gz NFCXUPLKOVUVRG-UHFFFAOYSA-N 0 0 318.398 3.444 20 10 DGCDRN Cn1c2ccc(OC(=O)CCn3cccn3)cc2c2c1CCCC2 ZINC000843018951 630604281 /nfs/dbraw/zinc/60/42/81/630604281.db2.gz HWQVALMOWVSDSB-UHFFFAOYSA-N 0 0 323.396 3.249 20 10 DGCDRN CC1(C(=O)[O-])CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000843041614 630607193 /nfs/dbraw/zinc/60/71/93/630607193.db2.gz ULQQHEFXWUEQKJ-UHFFFAOYSA-N 0 0 316.445 3.364 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1CN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000843048027 630608395 /nfs/dbraw/zinc/60/83/95/630608395.db2.gz JOJXUOCTUHQDSY-KGLIPLIRSA-N 0 0 312.816 3.291 20 10 DGCDRN Cc1cc(O)c(CN2CCC([NH2+]CC3CC3)CC2)c(Cl)c1 ZINC000843054602 630609359 /nfs/dbraw/zinc/60/93/59/630609359.db2.gz WBJACSURPFFTKZ-UHFFFAOYSA-N 0 0 308.853 3.318 20 10 DGCDRN CC(C)[C@@H]1C[C@H](Cc2nc(Cc3ccc(N)cc3)no2)CCO1 ZINC000843158654 630623097 /nfs/dbraw/zinc/62/30/97/630623097.db2.gz FRECRUFKIHLCDE-ZBFHGGJFSA-N 0 0 315.417 3.236 20 10 DGCDRN Cc1noc(C)c1[C@@H](C)Cc1nc(Cc2ccc(N)cc2)no1 ZINC000843160133 630623308 /nfs/dbraw/zinc/62/33/08/630623308.db2.gz WFENNIZAMNVQOW-JTQLQIEISA-N 0 0 312.373 3.194 20 10 DGCDRN CCC(CC)n1nccc1-c1nc(Cc2ccc(N)cc2)no1 ZINC000843159973 630623439 /nfs/dbraw/zinc/62/34/39/630623439.db2.gz TWVOXUKLXIJENV-UHFFFAOYSA-N 0 0 311.389 3.467 20 10 DGCDRN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@@H](CC(C)(C)C)C1=O ZINC000843309482 630644560 /nfs/dbraw/zinc/64/45/60/630644560.db2.gz ZIRHFNADRQJJKV-DOMZBBRYSA-N 0 0 317.433 3.170 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000843819427 630701541 /nfs/dbraw/zinc/70/15/41/630701541.db2.gz CSQZFYQMONDQSL-UHFFFAOYSA-N 0 0 311.381 3.378 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(SC)n2)c1 ZINC000843830488 630701786 /nfs/dbraw/zinc/70/17/86/630701786.db2.gz HFHZIYZBFAJZOS-SNVBAGLBSA-N 0 0 318.398 3.009 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC000843851880 630701998 /nfs/dbraw/zinc/70/19/98/630701998.db2.gz SVIYKVGPTXQDKY-DAXOMENPSA-N 0 0 317.429 3.361 20 10 DGCDRN CC(C)[C@@H]1N(C(=O)/C=C\c2ccc(O)c(O)c2)CC12CC=CC2 ZINC000844094865 630708953 /nfs/dbraw/zinc/70/89/53/630708953.db2.gz DHWPXMLTSHTROC-POZKEBTKSA-N 0 0 313.397 3.314 20 10 DGCDRN O=C1/C(=C\c2ccccn2)SC(=S)N1Cc1ccccc1 ZINC000005215131 630713916 /nfs/dbraw/zinc/71/39/16/630713916.db2.gz LUQDLMPMKVOELA-GXDHUFHOSA-N 0 0 312.419 3.483 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]C[C@@H](CC2CC2)C(=O)[O-])cc1F ZINC000844295026 630716317 /nfs/dbraw/zinc/71/63/17/630716317.db2.gz YPVFGWGJVYDSHE-OAHLLOKOSA-N 0 0 322.424 3.262 20 10 DGCDRN COC/C(C)=C/C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000844322951 630718911 /nfs/dbraw/zinc/71/89/11/630718911.db2.gz RIOLMBORYRJSJP-RVDMUPIBSA-N 0 0 304.434 3.082 20 10 DGCDRN COc1ccc(N(C)CC2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000844352653 630720688 /nfs/dbraw/zinc/72/06/88/630720688.db2.gz AOPASLOGHDOICT-UHFFFAOYSA-N 0 0 318.461 3.416 20 10 DGCDRN COc1ccc(N(C)CC(=O)N[C@@H](C)c2cccs2)cc1 ZINC000844353260 630720764 /nfs/dbraw/zinc/72/07/64/630720764.db2.gz JLMCMPFRNJVDCW-LBPRGKRZSA-N 0 0 304.415 3.070 20 10 DGCDRN CSCC1(CC(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000844357049 630720930 /nfs/dbraw/zinc/72/09/30/630720930.db2.gz LJGKGTQCVQQROD-UHFFFAOYSA-N 0 0 310.438 3.041 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)Nc1nc2c(s1)CCC2 ZINC000844489201 630734246 /nfs/dbraw/zinc/73/42/46/630734246.db2.gz GEFYIQBNNASBQV-UHFFFAOYSA-N 0 0 323.805 3.313 20 10 DGCDRN CCc1onc(C)c1NC(=O)NCc1cc(Cl)ccc1O ZINC000844585520 630741265 /nfs/dbraw/zinc/74/12/65/630741265.db2.gz BZDXFTRMJDKUBZ-UHFFFAOYSA-N 0 0 309.753 3.226 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H](C)C2CCC2)cc1 ZINC000844857182 630947241 /nfs/dbraw/zinc/94/72/41/630947241.db2.gz RGEDHXAPNXPCPZ-CQSZACIVSA-N 0 0 304.434 3.026 20 10 DGCDRN O=C(NCCC[C@H]1CC1(Cl)Cl)NCc1ccccc1O ZINC000844940265 630997928 /nfs/dbraw/zinc/99/79/28/630997928.db2.gz VMAMWYBROMHQAL-NSHDSACASA-N 0 0 317.216 3.165 20 10 DGCDRN Cc1cc(O)c(C[NH2+]C[C@](C)(C(=O)[O-])c2ccccc2)cc1C ZINC000844940718 630998147 /nfs/dbraw/zinc/99/81/47/630998147.db2.gz YBCUKCUOXMKRNK-IBGZPJMESA-N 0 0 313.397 3.141 20 10 DGCDRN C[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)c1ccncc1 ZINC000845024494 631041022 /nfs/dbraw/zinc/04/10/22/631041022.db2.gz CDRDLYYLZBWWJZ-NSHDSACASA-N 0 0 319.792 3.044 20 10 DGCDRN C[C@@]1(CNC(=O)NCc2cc(Cl)ccc2O)CCCS1 ZINC000845046230 631055635 /nfs/dbraw/zinc/05/56/35/631055635.db2.gz WUYFTODJRHCAKT-AWEZNQCLSA-N 0 0 314.838 3.131 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)NC[C@H]1CCCCS1 ZINC000845103899 631075978 /nfs/dbraw/zinc/07/59/78/631075978.db2.gz AKWAPBHZFBFIQZ-GFCCVEGCSA-N 0 0 314.838 3.131 20 10 DGCDRN CCc1ccnc(CNC(=O)NCc2cc(Cl)ccc2O)c1 ZINC000845170798 631112567 /nfs/dbraw/zinc/11/25/67/631112567.db2.gz PIPSUIQPQFNRMA-UHFFFAOYSA-N 0 0 319.792 3.002 20 10 DGCDRN CCC(C)(C)OCCNC(=O)NCc1cc(Cl)ccc1O ZINC000845253387 631156327 /nfs/dbraw/zinc/15/63/27/631156327.db2.gz VNPKAPABJVZCKU-UHFFFAOYSA-N 0 0 314.813 3.050 20 10 DGCDRN COC(=O)c1cnc(SCc2cc(OC(C)C)ccn2)s1 ZINC000845317515 631164598 /nfs/dbraw/zinc/16/45/98/631164598.db2.gz MTTZXXBDBGPDDM-UHFFFAOYSA-N 0 0 324.427 3.404 20 10 DGCDRN C[C@]1(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C[C@@]1(F)Cl ZINC000846039117 631207512 /nfs/dbraw/zinc/20/75/12/631207512.db2.gz UEZFOZWJTKXTKQ-STQMWFEESA-N 0 0 302.733 3.095 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCC1(CO)CCC1 ZINC000846102568 631209557 /nfs/dbraw/zinc/20/95/57/631209557.db2.gz ODHHONYGRMDVGE-UHFFFAOYSA-N 0 0 304.217 3.341 20 10 DGCDRN COc1cccc([C@H](C)N[C@H](CO)c2c(F)cccc2F)c1O ZINC000846151697 631212252 /nfs/dbraw/zinc/21/22/52/631212252.db2.gz DWNKRUIXENPILP-IINYFYTJSA-N 0 0 323.339 3.063 20 10 DGCDRN CCOc1ccc(N[C@@H](C)c2cccc(OC)c2O)cc1CO ZINC000846158604 631212732 /nfs/dbraw/zinc/21/27/32/631212732.db2.gz BILDHFAYYFIHSS-LBPRGKRZSA-N 0 0 317.385 3.465 20 10 DGCDRN COc1cccc([C@@H](C)Nc2ccc3c(c2)N(C)CCO3)c1O ZINC000846161894 631212935 /nfs/dbraw/zinc/21/29/35/631212935.db2.gz HALIAQGODIRCOB-GFCCVEGCSA-N 0 0 314.385 3.403 20 10 DGCDRN CC[C@H](C)c1nnc([C@H](C)N[C@H](C)c2cccc(OC)c2O)[nH]1 ZINC000846167013 631213177 /nfs/dbraw/zinc/21/31/77/631213177.db2.gz QRPGHNGCGDBEKQ-TUAOUCFPSA-N 0 0 318.421 3.444 20 10 DGCDRN Cc1cc(C[NH+]2CCC(C(=O)[O-])CC2)ccc1N1CCCCC1 ZINC000846226383 631215930 /nfs/dbraw/zinc/21/59/30/631215930.db2.gz LVCIDVCHPLNTGV-UHFFFAOYSA-N 0 0 316.445 3.282 20 10 DGCDRN Cc1cc(C[N@H+](CC(=O)[O-])C2CCCCC2)ccc1N(C)C ZINC000846271792 631218297 /nfs/dbraw/zinc/21/82/97/631218297.db2.gz BTEWQUZOWTZKJF-UHFFFAOYSA-N 0 0 304.434 3.280 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N3Cc4ccccc4C3)ccc21 ZINC000106336442 631246330 /nfs/dbraw/zinc/24/63/30/631246330.db2.gz NAJTXNYZYWQANG-UHFFFAOYSA-N 0 0 321.424 3.294 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1csc(C2CC2)n1 ZINC000846471890 631249179 /nfs/dbraw/zinc/24/91/79/631249179.db2.gz CMDVORDKBJSSCE-UHFFFAOYSA-N 0 0 308.790 3.310 20 10 DGCDRN CC(C)[C@@H](C(=O)NCc1cc(Cl)ccc1O)c1cccnc1 ZINC000846473662 631249728 /nfs/dbraw/zinc/24/97/28/631249728.db2.gz NTXYUYFHULSHOT-MRXNPFEDSA-N 0 0 318.804 3.497 20 10 DGCDRN Cc1noc(C)c1[C@H](C)CC(=O)NCc1cc(Cl)ccc1O ZINC000846476846 631250785 /nfs/dbraw/zinc/25/07/85/631250785.db2.gz QWPNAUZGFGTNIA-SECBINFHSA-N 0 0 322.792 3.460 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1CCCCC1(F)F ZINC000846477988 631251347 /nfs/dbraw/zinc/25/13/47/631251347.db2.gz XAESWZPUGPDAJI-LLVKDONJSA-N 0 0 303.736 3.487 20 10 DGCDRN C[C@H]1CCC[C@H](OCC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846477938 631251564 /nfs/dbraw/zinc/25/15/64/631251564.db2.gz XVUNOYNIOKVRTL-FZMZJTMJSA-N 0 0 311.809 3.257 20 10 DGCDRN C[C@H]1Cc2cc(NCc3ccc(N4CCOCC4)cc3)ccc2O1 ZINC000846745516 631292023 /nfs/dbraw/zinc/29/20/23/631292023.db2.gz IAZSLWVULZWEGE-HNNXBMFYSA-N 0 0 324.424 3.459 20 10 DGCDRN CC(=O)c1cc(CN2CCCc3cc(OC(F)F)ccc32)on1 ZINC000846823411 631318376 /nfs/dbraw/zinc/31/83/76/631318376.db2.gz NSNDHQUAEYEWGB-UHFFFAOYSA-N 0 0 322.311 3.431 20 10 DGCDRN C/C(=C\c1cccnc1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000846977672 631371996 /nfs/dbraw/zinc/37/19/96/631371996.db2.gz KRAGWCPKXHOLAN-OKFGHLOFSA-N 0 0 309.413 3.428 20 10 DGCDRN CC(=O)c1csc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000106733211 631453709 /nfs/dbraw/zinc/45/37/09/631453709.db2.gz BZUGRJQJKYZJCT-UHFFFAOYSA-N 0 0 316.426 3.289 20 10 DGCDRN Cc1nn(C(C)C)cc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000847303855 631456776 /nfs/dbraw/zinc/45/67/76/631456776.db2.gz DIVRFSYVVODGGX-UHFFFAOYSA-N 0 0 314.433 3.111 20 10 DGCDRN C/C(=C\c1ccccn1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000847338556 631463053 /nfs/dbraw/zinc/46/30/53/631463053.db2.gz JQFNNOHIXQYFHN-JQIJEIRASA-N 0 0 321.424 3.402 20 10 DGCDRN C/C(=C\c1ccncc1)C(=O)NCCCSc1nccs1 ZINC000847487995 631481364 /nfs/dbraw/zinc/48/13/64/631481364.db2.gz PLAJSFMOLIYELQ-VAWYXSNFSA-N 0 0 319.455 3.240 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(OC)o1 ZINC000848046099 631603785 /nfs/dbraw/zinc/60/37/85/631603785.db2.gz PJKJCLMKWHKQHQ-UHFFFAOYSA-N 0 0 303.358 3.436 20 10 DGCDRN CCN(C(=O)c1ccc(-n2c(C)ccc2C)cc1)c1cnn(C)c1 ZINC000848342865 631647512 /nfs/dbraw/zinc/64/75/12/631647512.db2.gz GBDAEQRSRYYIAJ-UHFFFAOYSA-N 0 0 322.412 3.494 20 10 DGCDRN COC(=O)C1(C(=O)CSc2ncc(C(C)(C)C)s2)CC1 ZINC000848432667 631661024 /nfs/dbraw/zinc/66/10/24/631661024.db2.gz NQUDVBSGKJJLJX-UHFFFAOYSA-N 0 0 313.444 3.055 20 10 DGCDRN COC[C@@H](CC(C)(C)C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000848564918 631694639 /nfs/dbraw/zinc/69/46/39/631694639.db2.gz RWVJVUIAJQLREW-VXGBXAGGSA-N 0 0 310.394 3.402 20 10 DGCDRN C[C@@H](Cc1ccccn1)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000848567383 631695962 /nfs/dbraw/zinc/69/59/62/631695962.db2.gz TXONUPWHSWAYQK-JTQLQIEISA-N 0 0 321.764 3.070 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1cccc(Cl)c1[O-] ZINC000848574324 631700352 /nfs/dbraw/zinc/70/03/52/631700352.db2.gz RTWRPKBDGUCXDE-SMDDNHRTSA-N 0 0 324.808 3.070 20 10 DGCDRN C[C@H]([NH2+]Cc1c(O)cccc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848640320 631715471 /nfs/dbraw/zinc/71/54/71/631715471.db2.gz PGXVBGTWLIBBTG-ZMLRMANQSA-N 0 0 311.809 3.271 20 10 DGCDRN CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c(O)c1 ZINC000848640910 631715637 /nfs/dbraw/zinc/71/56/37/631715637.db2.gz VXLREZMVCZESBA-TUKIKUTGSA-N 0 0 321.417 3.016 20 10 DGCDRN CCOc1cccc(C[NH2+][C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1O ZINC000848639782 631715735 /nfs/dbraw/zinc/71/57/35/631715735.db2.gz LLRDZLNTWGRDRV-KWCYVHTRSA-N 0 0 321.417 3.016 20 10 DGCDRN CCc1cccc(CN[C@H](C(=O)OC)c2cccs2)c1O ZINC000848905619 631781090 /nfs/dbraw/zinc/78/10/90/631781090.db2.gz KLWJIGJUENVCMS-AWEZNQCLSA-N 0 0 305.399 3.020 20 10 DGCDRN COc1cccc(CN(CC(=O)OC(C)(C)C)C2CCC2)c1O ZINC000848927722 631790477 /nfs/dbraw/zinc/79/04/77/631790477.db2.gz LYJBJFIPGFDRFV-UHFFFAOYSA-N 0 0 321.417 3.097 20 10 DGCDRN [NH2+]=C(NCc1cc(Cl)cc(Cl)c1[O-])NCC1CCC1 ZINC000849028399 631812340 /nfs/dbraw/zinc/81/23/40/631812340.db2.gz JUTQGGMRQWALBW-UHFFFAOYSA-N 0 0 302.205 3.113 20 10 DGCDRN [NH2+]=C(NCc1cc(Cl)cc(Cl)c1[O-])N1CCCCC1 ZINC000849028429 631812665 /nfs/dbraw/zinc/81/26/65/631812665.db2.gz KHFFZAKLPDSODK-UHFFFAOYSA-N 0 0 302.205 3.209 20 10 DGCDRN Cc1ocnc1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108295979 631843286 /nfs/dbraw/zinc/84/32/86/631843286.db2.gz MNUJWLLHYNTJGW-UHFFFAOYSA-N 0 0 313.401 3.149 20 10 DGCDRN CC(C)(C)OC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000108645864 631914209 /nfs/dbraw/zinc/91/42/09/631914209.db2.gz KAZYZARGKPFILM-UHFFFAOYSA-N 0 0 308.447 3.265 20 10 DGCDRN Cc1cc(C)c2c(N)c(C(=O)O[C@@H]3COC(C)(C)C3)sc2n1 ZINC000849659373 631927224 /nfs/dbraw/zinc/92/72/24/631927224.db2.gz HCPRVCWSILGJIM-JTQLQIEISA-N 0 0 320.414 3.220 20 10 DGCDRN C[C@@H]1C[C@H](C)CN(C(=O)CSc2ncc(Cl)s2)C1 ZINC000849998927 632024538 /nfs/dbraw/zinc/02/45/38/632024538.db2.gz UMOJGVXNLWOMNS-DTORHVGOSA-N 0 0 304.868 3.393 20 10 DGCDRN O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1Sc1ncc(Cl)s1 ZINC000850002130 632025580 /nfs/dbraw/zinc/02/55/80/632025580.db2.gz UIRLCKUTYRVUBP-HLTSFMKQSA-N 0 0 302.852 3.336 20 10 DGCDRN Cc1cc2ccccc2n1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000007243798 632052097 /nfs/dbraw/zinc/05/20/97/632052097.db2.gz RQUMDPOMKPVWRY-UHFFFAOYSA-N 0 0 321.424 3.332 20 10 DGCDRN C[C@]1(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1(F)F ZINC000850379697 632133316 /nfs/dbraw/zinc/13/33/16/632133316.db2.gz VPHZLNYFCOYTCT-LLVKDONJSA-N 0 0 306.696 3.089 20 10 DGCDRN COc1ccnc(CNCc2c(O)cc(C)cc2Cl)c1F ZINC000850381224 632134076 /nfs/dbraw/zinc/13/40/76/632134076.db2.gz XUFYNUQDJZQGCO-UHFFFAOYSA-N 0 0 310.756 3.187 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H](CO)CC1CC1 ZINC000850387908 632135785 /nfs/dbraw/zinc/13/57/85/632135785.db2.gz CGIPPKLKIOHLMQ-SNVBAGLBSA-N 0 0 304.217 3.197 20 10 DGCDRN CC1(C)[C@H](C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1(F)F ZINC000850393381 632138005 /nfs/dbraw/zinc/13/80/05/632138005.db2.gz BPRYUBZIXMQIOM-JTQLQIEISA-N 0 0 320.723 3.335 20 10 DGCDRN [O-]c1c(Br)cccc1C[NH2+]CCCc1ccco1 ZINC000850408076 632143482 /nfs/dbraw/zinc/14/34/82/632143482.db2.gz XNNLBGVSQPQSJG-UHFFFAOYSA-N 0 0 310.191 3.470 20 10 DGCDRN C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000850412445 632144172 /nfs/dbraw/zinc/14/41/72/632144172.db2.gz XYYUFJZNHHOSAB-BDJLRTHQSA-N 0 0 323.795 3.439 20 10 DGCDRN Cc1cn(C)nc1NCc1cc(C)cc(Br)c1O ZINC000850418700 632146663 /nfs/dbraw/zinc/14/66/63/632146663.db2.gz AMXCTLYTNCSLSY-UHFFFAOYSA-N 0 0 310.195 3.117 20 10 DGCDRN C[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccn1 ZINC000850482605 632165785 /nfs/dbraw/zinc/16/57/85/632165785.db2.gz QCFDOMTVMPZLFH-VXGBXAGGSA-N 0 0 301.346 3.150 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)c1ccc(F)cc1[O-] ZINC000850500666 632172562 /nfs/dbraw/zinc/17/25/62/632172562.db2.gz GEFDUHNTRAYYPY-HGYXMXBYSA-N 0 0 313.438 3.262 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1)c1ccc(F)cc1[O-] ZINC000850500668 632172713 /nfs/dbraw/zinc/17/27/13/632172713.db2.gz GEFDUHNTRAYYPY-HWPSYORYSA-N 0 0 313.438 3.262 20 10 DGCDRN C[C@@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1cc(F)cc(F)c1[O-] ZINC000850533013 632183461 /nfs/dbraw/zinc/18/34/61/632183461.db2.gz QXJBZCQWGQUDTO-RGZBUGHASA-N 0 0 319.298 3.135 20 10 DGCDRN COc1ccnc(CN[C@H](C)c2cc(Cl)ccc2O)c1F ZINC000850536975 632185676 /nfs/dbraw/zinc/18/56/76/632185676.db2.gz LLHPGUNGOKSANB-SECBINFHSA-N 0 0 310.756 3.439 20 10 DGCDRN COc1ccnc(CN[C@H](C)c2ccc(N(C)C)cc2)c1F ZINC000850536110 632186121 /nfs/dbraw/zinc/18/61/21/632186121.db2.gz CKQIGMHCAAXDRY-GFCCVEGCSA-N 0 0 303.381 3.146 20 10 DGCDRN C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000850574643 632199239 /nfs/dbraw/zinc/19/92/39/632199239.db2.gz ZXQDAALQVVJWIR-BWACUDIHSA-N 0 0 321.367 3.486 20 10 DGCDRN C[C@@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1ccc(F)cc1[O-] ZINC000850573976 632199456 /nfs/dbraw/zinc/19/94/56/632199456.db2.gz UNJDZMIAHDDYPV-GFCCVEGCSA-N 0 0 308.397 3.008 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)c3cnc4n3CCC4)cc12 ZINC000851091363 632307558 /nfs/dbraw/zinc/30/75/58/632307558.db2.gz BGFPMBGMVHSJLY-UHFFFAOYSA-N 0 0 309.369 3.157 20 10 DGCDRN Cn1cccc1C(=O)CN(Cc1ccco1)Cc1ccccc1O ZINC000109761313 632315279 /nfs/dbraw/zinc/31/52/79/632315279.db2.gz ZQMRVJYVCDFIDE-UHFFFAOYSA-N 0 0 324.380 3.209 20 10 DGCDRN CC1(C)C[C@@]1(C(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC000851632784 632463424 /nfs/dbraw/zinc/46/34/24/632463424.db2.gz WRRNZGJBGISVMH-FQEVSTJZSA-N 0 0 308.425 3.295 20 10 DGCDRN COc1cc(CN(Cc2ccc(N(C)C)cc2)C2CC2)sn1 ZINC000851732474 632478268 /nfs/dbraw/zinc/47/82/68/632478268.db2.gz RHVPNGNOMVKWMO-UHFFFAOYSA-N 0 0 317.458 3.382 20 10 DGCDRN COc1cc(N(C)Cc2cc(C3CC3)no2)cc(OC)c1OC ZINC000851784876 632491494 /nfs/dbraw/zinc/49/14/94/632491494.db2.gz WIYAVGKSKGCNHJ-UHFFFAOYSA-N 0 0 318.373 3.214 20 10 DGCDRN CC[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000851988063 632534171 /nfs/dbraw/zinc/53/41/71/632534171.db2.gz RXPVCBZJMDSREC-KRWDZBQOSA-N 0 0 301.434 3.275 20 10 DGCDRN C[C@]1(CNC(=O)NCc2ccc(N3CCCC3)cc2)CC1(F)F ZINC000851986474 632534506 /nfs/dbraw/zinc/53/45/06/632534506.db2.gz AQWXYUHADHBYGT-MRXNPFEDSA-N 0 0 323.387 3.131 20 10 DGCDRN Cc1noc(CN(C)c2ccc(OC(C)C)cc2)c1[N+](=O)[O-] ZINC000851985109 632534622 /nfs/dbraw/zinc/53/46/22/632534622.db2.gz IZYLIULBFODKSI-UHFFFAOYSA-N 0 0 305.334 3.315 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CSC2CCCCC2)cc1 ZINC000008154720 632535097 /nfs/dbraw/zinc/53/50/97/632535097.db2.gz FJMWPJUXHIZNLT-UHFFFAOYSA-N 0 0 306.475 3.435 20 10 DGCDRN CC[C@H](C)[C@H](C)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852007329 632538288 /nfs/dbraw/zinc/53/82/88/632538288.db2.gz ADJNSGRLCKZIFG-KKUMJFAQSA-N 0 0 319.449 3.008 20 10 DGCDRN COc1ccc(/C=C/C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000008170725 632545583 /nfs/dbraw/zinc/54/55/83/632545583.db2.gz FMGRCEFQSFNYMM-MDWZMJQESA-N 0 0 310.397 3.091 20 10 DGCDRN C[C@H](NC(=O)NCCCOC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000852261144 632578275 /nfs/dbraw/zinc/57/82/75/632578275.db2.gz LRDVOHVCVVXYGW-AWEZNQCLSA-N 0 0 321.465 3.318 20 10 DGCDRN C[C@@]1(c2ccccc2)C[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC000180141093 659953726 /nfs/dbraw/zinc/95/37/26/659953726.db2.gz KZSXVLFVVMBIIR-SFHVURJKSA-N 0 0 301.361 3.279 20 10 DGCDRN CCCCO[C@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2O)C1(C)C ZINC000185791579 660242314 /nfs/dbraw/zinc/24/23/14/660242314.db2.gz UVJNNKZMMMWQJU-CABCVRRESA-N 0 0 321.417 3.154 20 10 DGCDRN Cc1ccc([C@H](C)Nc2ccc(N3CCOCC3)cn2)c(O)c1 ZINC000186251399 660354611 /nfs/dbraw/zinc/35/46/11/660354611.db2.gz GXLSHRWMBBBWEE-AWEZNQCLSA-N 0 0 313.401 3.105 20 10 DGCDRN C[C@@H](Nc1ccc2c(c1)N(C)C(=O)CO2)c1ccc(F)cc1O ZINC000186326182 660369546 /nfs/dbraw/zinc/36/95/46/660369546.db2.gz WHUVOQGLLPOQMC-SNVBAGLBSA-N 0 0 316.332 3.060 20 10 DGCDRN C[C@H](Nc1cnn(Cc2ccccn2)c1)c1ccc(F)cc1O ZINC000186390297 660380343 /nfs/dbraw/zinc/38/03/43/660380343.db2.gz JCAACUVAQAVYDJ-LBPRGKRZSA-N 0 0 312.348 3.344 20 10 DGCDRN CN(C)c1ccccc1N(C)C(=O)/C=C\c1ccc(Cl)nc1 ZINC000255070692 660477641 /nfs/dbraw/zinc/47/76/41/660477641.db2.gz WEISOGQNQYWTOP-LUAWRHEFSA-N 0 0 315.804 3.477 20 10 DGCDRN O=C(/C=C\c1cccnc1)N1CCOc2c(Cl)cccc21 ZINC000255834001 660489015 /nfs/dbraw/zinc/48/90/15/660489015.db2.gz XKXAEAIIUTZDGI-SREVYHEPSA-N 0 0 300.745 3.174 20 10 DGCDRN Cc1cnc(CNCc2c(O)cccc2Br)s1 ZINC000706821728 660873919 /nfs/dbraw/zinc/87/39/19/660873919.db2.gz NYDYJGWCENSQRC-UHFFFAOYSA-N 0 0 313.220 3.209 20 10 DGCDRN C[C@@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)[C@@H](C)CO1 ZINC000792793577 660985075 /nfs/dbraw/zinc/98/50/75/660985075.db2.gz GHQYUBZJEWBFQL-NWDGAFQWSA-N 0 0 316.367 3.381 20 10 DGCDRN CC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(OC)cc1O ZINC000792833364 660987396 /nfs/dbraw/zinc/98/73/96/660987396.db2.gz AMXGXWXQYFZRLF-IUODEOHRSA-N 0 0 306.406 3.169 20 10 DGCDRN Cc1cc(CCNC(=O)C2=CCOCC2)c(C)n1-c1ccccc1 ZINC000792884933 660991254 /nfs/dbraw/zinc/99/12/54/660991254.db2.gz DJHIKWGPYICWRH-UHFFFAOYSA-N 0 0 324.424 3.100 20 10 DGCDRN COc1ccc(CNC(=O)NC[C@@H]2CCC[C@H](C)C2)c(O)c1 ZINC000792903723 660992568 /nfs/dbraw/zinc/99/25/68/660992568.db2.gz KWMYDKYGPLIPLQ-QWHCGFSZSA-N 0 0 306.406 3.026 20 10 DGCDRN COc1ccc(CNC(=O)NCC[C@H]2CCC[C@H](C)C2)c(O)c1 ZINC000792944717 660995993 /nfs/dbraw/zinc/99/59/93/660995993.db2.gz DNFYCULPTLBORV-UONOGXRCSA-N 0 0 320.433 3.416 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2C(C)C)c(O)c1 ZINC000792981586 660998544 /nfs/dbraw/zinc/99/85/44/660998544.db2.gz XPPZLQPUJBIFNZ-HZPDHXFCSA-N 0 0 320.433 3.415 20 10 DGCDRN Cc1cc(CNCc2ccc(N(C)C)cc2C(F)(F)F)ncn1 ZINC000793031814 661001289 /nfs/dbraw/zinc/00/12/89/661001289.db2.gz OCHMYYAONUTBIU-UHFFFAOYSA-N 0 0 324.350 3.160 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1Cc2ccc(F)cc21 ZINC000793043890 661001941 /nfs/dbraw/zinc/00/19/41/661001941.db2.gz VNZQAHYXCQPYIM-IBGZPJMESA-N 0 0 324.399 3.382 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H]2CCC[C@@H](C)CC2)c(O)c1 ZINC000793171119 661009555 /nfs/dbraw/zinc/00/95/55/661009555.db2.gz MNGQZEQMBMACEI-TZMCWYRMSA-N 0 0 306.406 3.169 20 10 DGCDRN C[C@@H]1CC[C@@H](CNC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000793275092 661019777 /nfs/dbraw/zinc/01/97/77/661019777.db2.gz VMNNBCCRBSQIPB-GDBMZVCRSA-N 0 0 303.450 3.330 20 10 DGCDRN C[C@H]1CC[C@@H](CNC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000793275093 661019902 /nfs/dbraw/zinc/01/99/02/661019902.db2.gz VMNNBCCRBSQIPB-GOEBONIOSA-N 0 0 303.450 3.330 20 10 DGCDRN C[C@H]1CC[C@H](CNC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000793275094 661020386 /nfs/dbraw/zinc/02/03/86/661020386.db2.gz VMNNBCCRBSQIPB-HOCLYGCPSA-N 0 0 303.450 3.330 20 10 DGCDRN CN1CCCc2cc(CNC(=O)[C@H]3Cc4ccc(F)cc43)ccc21 ZINC000793283001 661020879 /nfs/dbraw/zinc/02/08/79/661020879.db2.gz DUCKDHOQBXBCEA-SFHVURJKSA-N 0 0 324.399 3.164 20 10 DGCDRN CC(C)SCCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000806011074 661022323 /nfs/dbraw/zinc/02/23/23/661022323.db2.gz BUMIVNDNMFLOEA-UHFFFAOYSA-N 0 0 321.490 3.010 20 10 DGCDRN COc1c([O-])c(C[NH2+]CC2C(C)(C)C2(C)C)ccc1[N+](=O)[O-] ZINC000793371146 661027886 /nfs/dbraw/zinc/02/78/86/661027886.db2.gz CMNYBSPPIGXCCV-UHFFFAOYSA-N 0 0 308.378 3.081 20 10 DGCDRN COc1ccc(O)c([C@@H](C)Nc2ccc3ccn(C)c(=O)c3c2)c1 ZINC000793562730 661046259 /nfs/dbraw/zinc/04/62/59/661046259.db2.gz BCHHDJXVUXSDSL-GFCCVEGCSA-N 0 0 324.380 3.426 20 10 DGCDRN C[C@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1cc(F)cc(F)c1[O-] ZINC000793576712 661047148 /nfs/dbraw/zinc/04/71/48/661047148.db2.gz YOWJPVJSXIQYBV-JTQLQIEISA-N 0 0 317.339 3.440 20 10 DGCDRN COc1cc(Cl)cc(C[N@@H+]2CCCCC[C@H]2CCO)c1O ZINC000793608057 661049213 /nfs/dbraw/zinc/04/92/13/661049213.db2.gz HMZPOQSOIRYUNT-AWEZNQCLSA-N 0 0 313.825 3.181 20 10 DGCDRN CC[C@@H]1CCCC[C@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000793797617 661057999 /nfs/dbraw/zinc/05/79/99/661057999.db2.gz WERCBCWQHICXGB-NWANDNLSSA-N 0 0 305.418 3.361 20 10 DGCDRN C[C@@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1cc(F)cc(F)c1[O-] ZINC000793576714 661046961 /nfs/dbraw/zinc/04/69/61/661046961.db2.gz YOWJPVJSXIQYBV-SNVBAGLBSA-N 0 0 317.339 3.440 20 10 DGCDRN Cc1cc(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)c(C)n1-c1cc(C)cc(C)c1 ZINC000794227383 661073452 /nfs/dbraw/zinc/07/34/52/661073452.db2.gz OBMUKODRIRFHJY-BWTSREIZSA-N 0 0 324.424 3.086 20 10 DGCDRN CCc1cc(C(=O)NCc2ccc(OC)cc2O)oc1CC ZINC000794373883 661081456 /nfs/dbraw/zinc/08/14/56/661081456.db2.gz ODFLWTVTLOFNPK-UHFFFAOYSA-N 0 0 303.358 3.049 20 10 DGCDRN COc1ccc(CNC(=O)/C=C/SCc2ccco2)c(O)c1 ZINC000794378518 661081735 /nfs/dbraw/zinc/08/17/35/661081735.db2.gz USXFZMKMADHKSP-SOFGYWHQSA-N 0 0 319.382 3.057 20 10 DGCDRN COc1ccc(CNC(=O)C/C=C/c2ccc(F)cc2)c(O)c1 ZINC000794380470 661081778 /nfs/dbraw/zinc/08/17/78/661081778.db2.gz DQIXREQTYZPCFJ-NSCUHMNNSA-N 0 0 315.344 3.260 20 10 DGCDRN COc1ccc(CNC(=O)CCc2ccc(C)cc2C)c(O)c1 ZINC000794378096 661081789 /nfs/dbraw/zinc/08/17/89/661081789.db2.gz CDIJRDXZWIGSIJ-UHFFFAOYSA-N 0 0 313.397 3.267 20 10 DGCDRN COc1ccc(CNC(=O)/C=C(\C)c2cccc(F)c2)c(O)c1 ZINC000794387462 661082106 /nfs/dbraw/zinc/08/21/06/661082106.db2.gz ILFFATDUFGLHFT-XYOKQWHBSA-N 0 0 315.344 3.260 20 10 DGCDRN COc1ccc(CNC(=O)c2ccc(Cl)cc2F)c(O)c1 ZINC000794383065 661082121 /nfs/dbraw/zinc/08/21/21/661082121.db2.gz JLQOXKGYDSUZCL-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN COc1ccc(CNC(=O)c2cc3cc(F)ccc3o2)c(O)c1 ZINC000794382605 661082204 /nfs/dbraw/zinc/08/22/04/661082204.db2.gz DNYYPLPTNGTZCQ-UHFFFAOYSA-N 0 0 315.300 3.216 20 10 DGCDRN COc1cccc(C2(C(=O)NCc3ccc(N(C)C)cc3)CC2)c1 ZINC000794618269 661093974 /nfs/dbraw/zinc/09/39/74/661093974.db2.gz DINRTHCJUGCHOE-UHFFFAOYSA-N 0 0 324.424 3.109 20 10 DGCDRN Cc1ccc(C(=O)N2CCn3c(cc4ccccc43)C2)c(O)c1O ZINC000794928798 661114090 /nfs/dbraw/zinc/11/40/90/661114090.db2.gz ILWZSHZYCVSRPB-UHFFFAOYSA-N 0 0 322.364 3.017 20 10 DGCDRN COC(=O)c1ccc(NCc2ccc(N(C)C)cc2)cc1OC ZINC000794973003 661118020 /nfs/dbraw/zinc/11/80/20/661118020.db2.gz VUEVLGNYHMWQQV-UHFFFAOYSA-N 0 0 314.385 3.160 20 10 DGCDRN COC(=O)C(C)(C)C(=O)CSc1ncc(C(C)(C)C)s1 ZINC000795220972 661134281 /nfs/dbraw/zinc/13/42/81/661134281.db2.gz NHOFWPWKWPQMTC-UHFFFAOYSA-N 0 0 315.460 3.301 20 10 DGCDRN CCc1nc(Cl)c(C)c(NCc2ccc(OC)cc2O)n1 ZINC000795286082 661138280 /nfs/dbraw/zinc/13/82/80/661138280.db2.gz ZDKZAAWZTDLIAS-UHFFFAOYSA-N 0 0 307.781 3.327 20 10 DGCDRN CC(C)(C(=O)COC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000795507656 661155645 /nfs/dbraw/zinc/15/56/45/661155645.db2.gz VLBJYFNQSKRVNM-UHFFFAOYSA-N 0 0 304.367 3.157 20 10 DGCDRN O=C(CCc1ccccc1Cl)NCCc1ccc(O)c(O)c1 ZINC000120427788 655546780 /nfs/dbraw/zinc/54/67/80/655546780.db2.gz YGFFZGGDBDIFGE-UHFFFAOYSA-N 0 0 319.788 3.043 20 10 DGCDRN C[C@@H](NC(=O)C1CC(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000795592468 661162467 /nfs/dbraw/zinc/16/24/67/661162467.db2.gz LCCUAOIMJUDLBY-CQSZACIVSA-N 0 0 316.445 3.137 20 10 DGCDRN COC[C@@H]1CCCC[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000307778921 655671454 /nfs/dbraw/zinc/67/14/54/655671454.db2.gz OUJXWSSVBLNNJJ-LBPRGKRZSA-N 0 0 314.223 3.156 20 10 DGCDRN COC(=O)c1cccc2[nH]c(NCc3ccc(N(C)C)cc3)nc21 ZINC000795800565 661173439 /nfs/dbraw/zinc/17/34/39/661173439.db2.gz DRJSLPMNDDQHOB-UHFFFAOYSA-N 0 0 324.384 3.028 20 10 DGCDRN COC(=O)c1ncc(NCc2cc(C)ccc2O)cc1Cl ZINC000795808923 661173831 /nfs/dbraw/zinc/17/38/31/661173831.db2.gz RBLDRHBIOJQBOG-UHFFFAOYSA-N 0 0 306.749 3.148 20 10 DGCDRN Cc1ccc(/C=C2\SC(=S)N(Cc3ccon3)C2=O)s1 ZINC000178018394 655697066 /nfs/dbraw/zinc/69/70/66/655697066.db2.gz MBBHTVNFAUQLNH-WDZFZDKYSA-N 0 0 322.436 3.446 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cccc3cc[nH]c32)c1 ZINC000176007451 655699941 /nfs/dbraw/zinc/69/99/41/655699941.db2.gz YWVYNVOGWICJGZ-NSHDSACASA-N 0 0 310.353 3.373 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc3ccccc3[nH]2)c1 ZINC000157847992 655703098 /nfs/dbraw/zinc/70/30/98/655703098.db2.gz RBXGXWSPUXAVCS-NSHDSACASA-N 0 0 310.353 3.373 20 10 DGCDRN CCN(C(=O)/C=C\c1cncc(C)c1)c1ccccc1C(=O)OC ZINC000255363675 655708907 /nfs/dbraw/zinc/70/89/07/655708907.db2.gz HUPDSPLFOLYUEI-KTKRTIGZSA-N 0 0 324.380 3.243 20 10 DGCDRN C[NH2+]C[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000040592903 655712278 /nfs/dbraw/zinc/71/22/78/655712278.db2.gz CCNNGUHTDXAKQR-JTQLQIEISA-N 0 0 303.233 3.130 20 10 DGCDRN CC[C@@](C)(NC(=O)NCc1cc(C)ccc1O)C(F)(F)F ZINC000933504711 655716595 /nfs/dbraw/zinc/71/65/95/655716595.db2.gz KAEUVCVAVHWONR-CYBMUJFWSA-N 0 0 304.312 3.231 20 10 DGCDRN CC[C@@](C)(NC(=O)N[C@H](C)c1ccccc1O)C(F)(F)F ZINC000933507669 655717024 /nfs/dbraw/zinc/71/70/24/655717024.db2.gz YBINBEFRKOFZLK-NOZJJQNGSA-N 0 0 304.312 3.483 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@@H]2C2CC2)cc1F ZINC000176036243 655736698 /nfs/dbraw/zinc/73/66/98/655736698.db2.gz RQFVSOMQLCDTTM-CABCVRRESA-N 0 0 304.409 3.334 20 10 DGCDRN CCN(Cc1ccc(N2CCOCC2)c(F)c1)CC(F)(F)F ZINC000091815576 655737480 /nfs/dbraw/zinc/73/74/80/655737480.db2.gz VFMBLCJVBZFVMY-UHFFFAOYSA-N 0 0 320.330 3.047 20 10 DGCDRN O=C(Cn1ccnn1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255423485 655746329 /nfs/dbraw/zinc/74/63/29/655746329.db2.gz DUKZBMBTXOWORO-UHFFFAOYSA-N 0 0 306.329 3.332 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Cc1cccc(C(F)(F)F)n1 ZINC000934705356 655796487 /nfs/dbraw/zinc/79/64/87/655796487.db2.gz XLRGUWYSCNFWHK-UHFFFAOYSA-N 0 0 324.302 3.007 20 10 DGCDRN C[C@H](Sc1nccs1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000052914369 655846830 /nfs/dbraw/zinc/84/68/30/655846830.db2.gz PXWNBJAOZXASSZ-CMPLNLGQSA-N 0 0 320.439 3.264 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C\c1nc(Cl)cs1 ZINC000270414380 655867150 /nfs/dbraw/zinc/86/71/50/655867150.db2.gz JCZYFVBWABVKHS-VURMDHGXSA-N 0 0 313.835 3.253 20 10 DGCDRN O=C(/C=C\c1ccc(Cl)cc1)NCCc1ccc(O)c(O)c1 ZINC000255658038 655886353 /nfs/dbraw/zinc/88/63/53/655886353.db2.gz CTIJJPLBUABFMW-YWEYNIOJSA-N 0 0 317.772 3.123 20 10 DGCDRN Cc1cc(C(=O)NC(C)(C)CCO)c(C)n1-c1cccc(C)c1 ZINC000179414734 655892636 /nfs/dbraw/zinc/89/26/36/655892636.db2.gz CZGGBYQHRKYKQN-UHFFFAOYSA-N 0 0 314.429 3.293 20 10 DGCDRN CN(C)c1ccccc1N(C)C(=O)/C=C/c1ccc(Cl)nc1 ZINC000179438591 655892924 /nfs/dbraw/zinc/89/29/24/655892924.db2.gz WEISOGQNQYWTOP-PKNBQFBNSA-N 0 0 315.804 3.477 20 10 DGCDRN Cc1ccc(C(=O)N[C@H]2CCCOc3ccccc32)c(O)c1O ZINC000179468527 655893502 /nfs/dbraw/zinc/89/35/02/655893502.db2.gz APWBBTHHGYDARC-AWEZNQCLSA-N 0 0 313.353 3.050 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CCc2ccoc2)cc1 ZINC000177153700 655915398 /nfs/dbraw/zinc/91/53/98/655915398.db2.gz XNQHCDRIPNTWSZ-UHFFFAOYSA-N 0 0 300.402 3.375 20 10 DGCDRN CCC1(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)CCC1 ZINC000177286741 655919936 /nfs/dbraw/zinc/91/99/36/655919936.db2.gz WTTXCRSSOFNJNR-UHFFFAOYSA-N 0 0 320.408 3.063 20 10 DGCDRN C[C@@H](Cc1cccc(F)c1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000066017525 655925834 /nfs/dbraw/zinc/92/58/34/655925834.db2.gz GNJAIQYLVUQYEH-AWEZNQCLSA-N 0 0 314.404 3.387 20 10 DGCDRN CCN(CC(C)C)C(=O)NCCCSc1nccs1 ZINC000177852832 655948523 /nfs/dbraw/zinc/94/85/23/655948523.db2.gz SOZAJBXTIIYELW-UHFFFAOYSA-N 0 0 301.481 3.313 20 10 DGCDRN Cc1cc(C(=O)OCC[C@@H]2CCCO2)c(C)n1-c1ccccn1 ZINC000177925107 655950416 /nfs/dbraw/zinc/95/04/16/655950416.db2.gz JOUMRBPFFBTEFG-HNNXBMFYSA-N 0 0 314.385 3.215 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCC2(C)CCCC2)c1 ZINC000066599643 655955845 /nfs/dbraw/zinc/95/58/45/655955845.db2.gz AVTDILKBCNFRIK-LBPRGKRZSA-N 0 0 306.406 3.341 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)c1cccnc1 ZINC000066697861 655993572 /nfs/dbraw/zinc/99/35/72/655993572.db2.gz YKCLMISXNQCMAN-AWEZNQCLSA-N 0 0 313.401 3.470 20 10 DGCDRN C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(F)c2[O-])CS1 ZINC000715768167 661214627 /nfs/dbraw/zinc/21/46/27/661214627.db2.gz CACVMFSXYQUIKQ-OIBJUYFYSA-N 0 0 320.227 3.277 20 10 DGCDRN COc1cccc(CNC(=O)Nc2c(C)cccc2F)c1O ZINC000182780588 656108053 /nfs/dbraw/zinc/10/80/53/656108053.db2.gz QUOKOAIQPZFMQR-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN C[C@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000184912601 656122206 /nfs/dbraw/zinc/12/22/06/656122206.db2.gz POFYIRWCXUABBK-MCIONIFRSA-N 0 0 324.440 3.070 20 10 DGCDRN COC1(C(=O)NCCCSc2nccs2)CCCCC1 ZINC000186213540 656130331 /nfs/dbraw/zinc/13/03/31/656130331.db2.gz NVUUGAWZXNORRF-UHFFFAOYSA-N 0 0 314.476 3.091 20 10 DGCDRN C[C@@H](NC(=O)c1cccc(O)c1O)c1cccc(OC(F)F)c1 ZINC000186940806 656134552 /nfs/dbraw/zinc/13/45/52/656134552.db2.gz HZSGBTQQHPETQL-SECBINFHSA-N 0 0 323.295 3.190 20 10 DGCDRN CO[C@@](C)(C[NH2+]Cc1cccc(Br)c1[O-])C1CC1 ZINC000311045852 656167288 /nfs/dbraw/zinc/16/72/88/656167288.db2.gz PUNIBYGBDQCNPP-AWEZNQCLSA-N 0 0 314.223 3.059 20 10 DGCDRN C[C@@H](NC(=O)c1cncc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000828860713 661232941 /nfs/dbraw/zinc/23/29/41/661232941.db2.gz FXBHMIICRXVAIZ-LLVKDONJSA-N 0 0 303.793 3.292 20 10 DGCDRN CCCc1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)no1 ZINC000828860796 661233052 /nfs/dbraw/zinc/23/30/52/661233052.db2.gz HOXVFJBBJVLDGA-LBPRGKRZSA-N 0 0 301.390 3.184 20 10 DGCDRN O=C(Nc1ccc(OC(F)F)c(F)c1)c1cccc(O)c1O ZINC000192987428 656183698 /nfs/dbraw/zinc/18/36/98/656183698.db2.gz OSXYSPAVQPDTNQ-UHFFFAOYSA-N 0 0 313.231 3.091 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3C[C@H](C)OC[C@@H]3C)c2c1 ZINC000026666621 656253718 /nfs/dbraw/zinc/25/37/18/656253718.db2.gz BRBIVJKQPFIOQF-STQMWFEESA-N 0 0 301.386 3.163 20 10 DGCDRN COC[C@H]1CCC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000093337822 656309244 /nfs/dbraw/zinc/30/92/44/656309244.db2.gz VIHSOTJCGBHHMO-NSHDSACASA-N 0 0 314.223 3.013 20 10 DGCDRN C[C@@H]1SCC[N@H+](Cc2cccc(Br)c2[O-])[C@H]1C ZINC000093501014 656356398 /nfs/dbraw/zinc/35/63/98/656356398.db2.gz MBRMPMYUBIWGCC-UWVGGRQHSA-N 0 0 316.264 3.481 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N(C)CC(F)F)cc1F ZINC000066926900 656395480 /nfs/dbraw/zinc/39/54/80/656395480.db2.gz FKJRWAQZXRFEAV-UHFFFAOYSA-N 0 0 317.355 3.078 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CC=CCC1 ZINC000074333080 661281245 /nfs/dbraw/zinc/28/12/45/661281245.db2.gz LYZYXYVHIBCBKS-AWEZNQCLSA-N 0 0 300.402 3.179 20 10 DGCDRN CCC(CC)[C@@H](O)C[NH2+]Cc1cccc(Br)c1[O-] ZINC000225815640 656792499 /nfs/dbraw/zinc/79/24/99/656792499.db2.gz VMOUSRAFFWSITC-ZDUSSCGKSA-N 0 0 316.239 3.041 20 10 DGCDRN CCCOc1ccc(OCC(=O)Nc2ccc(N)cc2)cc1 ZINC000236857689 656933571 /nfs/dbraw/zinc/93/35/71/656933571.db2.gz LXPLTDMXDZAMPI-UHFFFAOYSA-N 0 0 300.358 3.075 20 10 DGCDRN C[C@@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)[C@H]1C ZINC000178617720 656965451 /nfs/dbraw/zinc/96/54/51/656965451.db2.gz ZCKRFEJRJRWPCF-KGLIPLIRSA-N 0 0 301.434 3.009 20 10 DGCDRN COc1ccc(C)cc1/C=C1\SC(=S)N(C2CC2)C1=O ZINC000048402616 657215933 /nfs/dbraw/zinc/21/59/33/657215933.db2.gz XXANHYVHMJYYMC-JYRVWZFOSA-N 0 0 305.424 3.367 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)OCc2noc(C)n2)cc1 ZINC000302850223 657499413 /nfs/dbraw/zinc/49/94/13/657499413.db2.gz MGIUNQLQFYFVIT-UHFFFAOYSA-N 0 0 311.341 3.143 20 10 DGCDRN O=C(NCc1ccccc1O)c1cccn1Cc1ccccc1 ZINC000302930546 657502751 /nfs/dbraw/zinc/50/27/51/657502751.db2.gz CCXZJSFIGNREMN-UHFFFAOYSA-N 0 0 306.365 3.172 20 10 DGCDRN Cc1cc(C(=O)NC[C@@H](C)O)c(C)n1-c1cccc(C(C)C)c1 ZINC000097478043 657640488 /nfs/dbraw/zinc/64/04/88/657640488.db2.gz YSBLWVIFBILWMZ-CQSZACIVSA-N 0 0 314.429 3.328 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000305797771 658048151 /nfs/dbraw/zinc/04/81/51/658048151.db2.gz WEKIVZGLBVPPKJ-CYBMUJFWSA-N 0 0 313.731 3.147 20 10 DGCDRN C[C@H](CC(F)(F)F)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897410791 658139260 /nfs/dbraw/zinc/13/92/60/658139260.db2.gz RRYRSAGSGRVMCV-ZCFIWIBFSA-N 0 0 319.304 3.383 20 10 DGCDRN COc1ccccc1C[C@H](C)N(C)C(=O)Nc1ccc(N)cc1 ZINC000321515594 658208775 /nfs/dbraw/zinc/20/87/75/658208775.db2.gz NJEXKMLBPFVUES-ZDUSSCGKSA-N 0 0 313.401 3.372 20 10 DGCDRN COc1ccccc1C[C@@H](C)N(C)C(=O)Nc1ccc(N)cc1 ZINC000321515593 658208799 /nfs/dbraw/zinc/20/87/99/658208799.db2.gz NJEXKMLBPFVUES-CYBMUJFWSA-N 0 0 313.401 3.372 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3cccc4cc[nH]c43)ccc21 ZINC000079812254 658330952 /nfs/dbraw/zinc/33/09/52/658330952.db2.gz WNZVEBCWMIOZIV-UHFFFAOYSA-N 0 0 319.408 3.480 20 10 DGCDRN O=C(N[C@@H]1CCOC1)N(Cc1ccccc1O)C1CCCCC1 ZINC000179152340 658337543 /nfs/dbraw/zinc/33/75/43/658337543.db2.gz WUQYXLSGVDIXKY-OAHLLOKOSA-N 0 0 318.417 3.025 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)N2CCc3ccccc32)cc1 ZINC000192498391 658436281 /nfs/dbraw/zinc/43/62/81/658436281.db2.gz HUCNECYHEYWGOX-UHFFFAOYSA-N 0 0 309.413 3.367 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ccc(Br)o1 ZINC000042116518 658742395 /nfs/dbraw/zinc/74/23/95/658742395.db2.gz CKSLNPDNHSWMJH-UHFFFAOYSA-N 0 0 310.147 3.020 20 10 DGCDRN CC(=O)c1cc(F)cc(C[N@H+]2CCCCC[C@@H]2C[C@H](C)O)c1[O-] ZINC000323673757 658783667 /nfs/dbraw/zinc/78/36/67/658783667.db2.gz XHUVWLFQJKJCMI-BLLLJJGKSA-N 0 0 323.408 3.249 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2c(F)ccc(F)c2F)cc1 ZINC000163710688 658895596 /nfs/dbraw/zinc/89/55/96/658895596.db2.gz VRNRAUMWLPTKTG-UHFFFAOYSA-N 0 0 322.330 3.442 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C\c1ccc2c(c1)CCO2 ZINC000054802429 658896220 /nfs/dbraw/zinc/89/62/20/658896220.db2.gz MMEMYPQPDJJQNU-PTNGSMBKSA-N 0 0 314.410 3.078 20 10 DGCDRN COc1ccc(N2CCN(C(=O)C[C@@H]3CC[C@@H](C)C3)CC2)cc1 ZINC000164248554 658922181 /nfs/dbraw/zinc/92/21/81/658922181.db2.gz OCVOKZANSQNNET-HZPDHXFCSA-N 0 0 316.445 3.170 20 10 DGCDRN CCC(CC)CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000164697651 658941684 /nfs/dbraw/zinc/94/16/84/658941684.db2.gz YUZKKSSBAUXGBX-UHFFFAOYSA-N 0 0 318.461 3.308 20 10 DGCDRN COc1ccc(N(C[C@H](O)COCC(C)C)C(C)C)cc1F ZINC000156773944 658942589 /nfs/dbraw/zinc/94/25/89/658942589.db2.gz DBEUROIMIYCOIQ-HNNXBMFYSA-N 0 0 313.413 3.083 20 10 DGCDRN CN(CC(=O)OC(C)(C)C)Cc1ccc(N2CCCCC2)cc1 ZINC000057626104 659020951 /nfs/dbraw/zinc/02/09/51/659020951.db2.gz UKLRSRSSMDRYPO-UHFFFAOYSA-N 0 0 318.461 3.450 20 10 DGCDRN O=S(=O)(Nc1ccc(O)cc1F)c1ccc2ccccc2c1 ZINC000166570929 659035337 /nfs/dbraw/zinc/03/53/37/659035337.db2.gz KKPONFYGALYAJX-UHFFFAOYSA-N 0 0 317.341 3.485 20 10 DGCDRN COc1cc(F)ccc1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000046072539 659071133 /nfs/dbraw/zinc/07/11/33/659071133.db2.gz BERWPYISMZUXCT-UHFFFAOYSA-N 0 0 317.364 3.222 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2ccc(Cl)nc2)cc1F ZINC000058514939 659085044 /nfs/dbraw/zinc/08/50/44/659085044.db2.gz LESUZXBDWUPGRH-UHFFFAOYSA-N 0 0 322.771 3.262 20 10 DGCDRN CCN(C(=O)NC1CCN(c2ccc(OC)cc2)CC1)C(C)C ZINC000171129062 659260788 /nfs/dbraw/zinc/26/07/88/659260788.db2.gz SLIBJSLIZOPDNA-UHFFFAOYSA-N 0 0 319.449 3.104 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2COc3ccccc32)cc1 ZINC000172002857 659309681 /nfs/dbraw/zinc/30/96/81/659309681.db2.gz LTSRFIDVQMTMDR-SFHVURJKSA-N 0 0 324.424 3.325 20 10 DGCDRN COc1ccc(O)c(CNC(=O)/C=C(\C)c2cccc(F)c2)c1 ZINC000172042555 659311630 /nfs/dbraw/zinc/31/16/30/659311630.db2.gz RPZNEGJKCRJEGZ-XYOKQWHBSA-N 0 0 315.344 3.260 20 10 DGCDRN CCc1cnc(CNCc2ccc3c(c2)CCCN3C)s1 ZINC000230142444 659312147 /nfs/dbraw/zinc/31/21/47/659312147.db2.gz CTCNJVLTXZHBHO-UHFFFAOYSA-N 0 0 301.459 3.378 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NC[C@@H]2CCCC[C@@H]2C)c1 ZINC000172072413 659315372 /nfs/dbraw/zinc/31/53/72/659315372.db2.gz PNSWSNWLGFNOTN-STQMWFEESA-N 0 0 306.406 3.026 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNC(=O)CC(C)(C)C)C2)cc1 ZINC000062575110 659336760 /nfs/dbraw/zinc/33/67/60/659336760.db2.gz OIMBXBCJYZDOQS-AWEZNQCLSA-N 0 0 304.434 3.074 20 10 DGCDRN CCC[C@@H](CCO)C[NH2+]Cc1cccc(Br)c1[O-] ZINC000231386867 659380596 /nfs/dbraw/zinc/38/05/96/659380596.db2.gz WXQPCFRUMSYZAZ-NSHDSACASA-N 0 0 316.239 3.043 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@H](c2ccccc2)C(C)C)c1 ZINC000173580842 659393354 /nfs/dbraw/zinc/39/33/54/659393354.db2.gz CENMJYPAZXINRS-SFHVURJKSA-N 0 0 313.397 3.457 20 10 DGCDRN CC(C)C[C@H]1CC(=O)N(CN(C)Cc2ccc(N(C)C)cc2)C1 ZINC000174070332 659412945 /nfs/dbraw/zinc/41/29/45/659412945.db2.gz WXUUOLSNEWCWGX-KRWDZBQOSA-N 0 0 317.477 3.037 20 10 DGCDRN Oc1ccc(CNc2ncnc3cc(Cl)ccc32)cc1O ZINC000174418835 659433266 /nfs/dbraw/zinc/43/32/66/659433266.db2.gz XHJHDGUINCCCAL-UHFFFAOYSA-N 0 0 301.733 3.307 20 10 DGCDRN CCc1ncc(C(=O)NCc2c(O)ccc3c2CCCC3)s1 ZINC000174523045 659437416 /nfs/dbraw/zinc/43/74/16/659437416.db2.gz MGVVPUPADUWVPM-UHFFFAOYSA-N 0 0 316.426 3.220 20 10 DGCDRN C[C@H](NCc1ccc(N(C)C)cc1)c1nc(C(C)(C)C)no1 ZINC000237606851 659931545 /nfs/dbraw/zinc/93/15/45/659931545.db2.gz HCRVDHDPRZLZPV-LBPRGKRZSA-N 0 0 302.422 3.284 20 10 DGCDRN O=C(OCc1ccccc1)[C@H]1CCCN1Cc1ccccc1O ZINC000179556108 659933232 /nfs/dbraw/zinc/93/32/32/659933232.db2.gz AZRGOTDYLCYPEO-QGZVFWFLSA-N 0 0 311.381 3.100 20 10 DGCDRN Nc1ccc(CC(=O)Nc2cccc(Oc3cnccn3)c2)cc1 ZINC000237927202 659949315 /nfs/dbraw/zinc/94/93/15/659949315.db2.gz LTSBWGBOVHLVPN-UHFFFAOYSA-N 0 0 320.352 3.032 20 10 DGCDRN CCCCCC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000068512542 659955604 /nfs/dbraw/zinc/95/56/04/659955604.db2.gz LQBFKABCKKBRBQ-HNNXBMFYSA-N 0 0 304.434 3.281 20 10 DGCDRN COc1ccc(O)c(C[N@@H+]2CCOC3(C2)CCCCCC3)c1 ZINC000180547082 659965145 /nfs/dbraw/zinc/96/51/45/659965145.db2.gz JXBWTBFBYIUASU-UHFFFAOYSA-N 0 0 305.418 3.326 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCCSc1ccccc1 ZINC000180602017 659965795 /nfs/dbraw/zinc/96/57/95/659965795.db2.gz MSAHCDXQWIXGGR-VQHVLOKHSA-N 0 0 315.394 3.020 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCc2cc(F)ccc21 ZINC000180672701 659968036 /nfs/dbraw/zinc/96/80/36/659968036.db2.gz UVRVCXDXQXBSOZ-XBXARRHUSA-N 0 0 313.328 3.230 20 10 DGCDRN CN(Cc1cn(C)nc1-c1ccccc1)c1ccc2c(c1)OCO2 ZINC000180760522 659969595 /nfs/dbraw/zinc/96/95/95/659969595.db2.gz HSPKMMVEGABXSU-UHFFFAOYSA-N 0 0 321.380 3.452 20 10 DGCDRN CCCn1nc(C)c(CN(C)c2ccc3c(c2)OCO3)c1C ZINC000180761775 659969599 /nfs/dbraw/zinc/96/95/99/659969599.db2.gz POAYGNWYEXOMLN-UHFFFAOYSA-N 0 0 301.390 3.275 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H]1CC=CCC1 ZINC000069109191 659976324 /nfs/dbraw/zinc/97/63/24/659976324.db2.gz DCYLFLRBKXDVQC-MRXNPFEDSA-N 0 0 313.445 3.442 20 10 DGCDRN C[C@@H]1c2ccccc2CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181051189 659977688 /nfs/dbraw/zinc/97/76/88/659977688.db2.gz RMEUDRBCPKCYCK-BUUCAEBMSA-N 0 0 309.365 3.257 20 10 DGCDRN CCOc1ccc(NC(=S)NCc2cc(C)ccn2)cc1 ZINC000240627901 660008958 /nfs/dbraw/zinc/00/89/58/660008958.db2.gz ADPLUXFVCOBZMF-UHFFFAOYSA-N 0 0 301.415 3.275 20 10 DGCDRN CC[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000069638166 660011995 /nfs/dbraw/zinc/01/19/95/660011995.db2.gz HWBDFXJRHXWVGQ-MAUKXSAKSA-N 0 0 318.461 3.306 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)COC(C)(C)C)cc1F ZINC000181728850 660017291 /nfs/dbraw/zinc/01/72/91/660017291.db2.gz RMWCCUHVWVZPBE-UHFFFAOYSA-N 0 0 310.413 3.103 20 10 DGCDRN COc1ccc(O)c([C@H](C)N[C@H](C)c2nc(C3CC3)no2)c1 ZINC000182345824 660046576 /nfs/dbraw/zinc/04/65/76/660046576.db2.gz ORZIKWFKTQTREK-VHSXEESVSA-N 0 0 303.362 3.073 20 10 DGCDRN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2nc(C3CC3)no2)c1 ZINC000182345807 660046590 /nfs/dbraw/zinc/04/65/90/660046590.db2.gz ORZIKWFKTQTREK-ZJUUUORDSA-N 0 0 303.362 3.073 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(F)cc1F ZINC000183418043 660109902 /nfs/dbraw/zinc/10/99/02/660109902.db2.gz UJPCFPZACJTXFG-SNVBAGLBSA-N 0 0 321.323 3.045 20 10 DGCDRN COC(=O)COc1ccc(N(C)Cc2cccc(F)c2)cc1 ZINC000183805852 660139398 /nfs/dbraw/zinc/13/93/98/660139398.db2.gz BDIRHACGWHLCGW-UHFFFAOYSA-N 0 0 303.333 3.014 20 10 DGCDRN COc1ccc2nc(NC(=O)Cc3ccc(N)cc3)sc2c1 ZINC000071700160 660140299 /nfs/dbraw/zinc/14/02/99/660140299.db2.gz XBMJFVZSZRMMHZ-UHFFFAOYSA-N 0 0 313.382 3.068 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1c(F)c(F)nc(F)c1F ZINC000184147544 660156964 /nfs/dbraw/zinc/15/69/64/660156964.db2.gz IFSXCZFEXDHLSR-ZCFIWIBFSA-N 0 0 316.254 3.092 20 10 DGCDRN CCCN(CC(=O)OC(C)(C)C)Cc1cccc(OCC)c1O ZINC000184349739 660164522 /nfs/dbraw/zinc/16/45/22/660164522.db2.gz LDIWPJSDCLOPDH-UHFFFAOYSA-N 0 0 323.433 3.345 20 10 DGCDRN COc1ccc(N(C)C[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1OC ZINC000929349135 661299999 /nfs/dbraw/zinc/29/99/99/661299999.db2.gz ZYJOHDXZGYZNDH-FZMZJTMJSA-N 0 0 319.323 3.250 20 10 DGCDRN FC(F)CN(Cc1ccc(N2CCOCC2)cc1)C1CCC1 ZINC000931761726 661506363 /nfs/dbraw/zinc/50/63/63/661506363.db2.gz HZNPPPMLJABJJA-UHFFFAOYSA-N 0 0 310.388 3.143 20 10 DGCDRN O=C(Nc1ncsc1C1CC1)N1Cc2cccc(O)c2C1 ZINC000932417103 661568027 /nfs/dbraw/zinc/56/80/27/661568027.db2.gz AHSBYRUJWJKVMN-UHFFFAOYSA-N 0 0 301.371 3.274 20 10 DGCDRN Cc1noc(C(C)C)c1NC(=O)N(C)Cc1ccccc1O ZINC000932873763 661604657 /nfs/dbraw/zinc/60/46/57/661604657.db2.gz KXGKDOHCGREMSI-UHFFFAOYSA-N 0 0 303.362 3.476 20 10 DGCDRN C[C@@H]1Cc2cc(NC(=O)N(C)Cc3ccccc3O)ccc2O1 ZINC000933157757 661621553 /nfs/dbraw/zinc/62/15/53/661621553.db2.gz QNZTVSNUFSKEJR-GFCCVEGCSA-N 0 0 312.369 3.380 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2ccccc2C2(C)CC2)c1 ZINC000934943881 661750368 /nfs/dbraw/zinc/75/03/68/661750368.db2.gz VNPDPMDFWVJVRN-UHFFFAOYSA-N 0 0 311.381 3.382 20 10 DGCDRN Cc1ccccc1[C@@H](C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000935310114 661776364 /nfs/dbraw/zinc/77/63/64/661776364.db2.gz IGOGGGXXUCVQSP-ZIAGYGMSSA-N 0 0 313.397 3.257 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCOC(C)C ZINC000043062639 661842801 /nfs/dbraw/zinc/84/28/01/661842801.db2.gz BZJPUYGBRCYNKG-UHFFFAOYSA-N 0 0 321.465 3.099 20 10 DGCDRN CN1C(=O)CCc2cc(C(=O)CSc3nccs3)ccc21 ZINC000155425384 661846790 /nfs/dbraw/zinc/84/67/90/661846790.db2.gz UOWYJTVEESZLHX-UHFFFAOYSA-N 0 0 318.423 3.027 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(F)cc2C)c1 ZINC000155478351 661847733 /nfs/dbraw/zinc/84/77/33/661847733.db2.gz UWWXYSLUZOQASC-LLVKDONJSA-N 0 0 303.333 3.339 20 10 DGCDRN COc1ccc(O)c(CNC(=O)CCSc2ccccc2)c1 ZINC000155956312 661855597 /nfs/dbraw/zinc/85/55/97/661855597.db2.gz ZABHQTSVTJEPKN-UHFFFAOYSA-N 0 0 317.410 3.199 20 10 DGCDRN O=C(/C=C/c1cccc(O)c1)NCc1c(O)ccc2c1CCCC2 ZINC000156412952 661862754 /nfs/dbraw/zinc/86/27/54/661862754.db2.gz ACERSWWLCYOKHW-DHZHZOJOSA-N 0 0 323.392 3.306 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Cc2c[nH]c3c2cccc3C)c1 ZINC000156454184 661862787 /nfs/dbraw/zinc/86/27/87/661862787.db2.gz QXCCSNXLJBDFBO-UHFFFAOYSA-N 0 0 324.380 3.049 20 10 DGCDRN CCC(C)(CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000158554089 661874011 /nfs/dbraw/zinc/87/40/11/661874011.db2.gz ODIXLYXDSMAVBS-UHFFFAOYSA-N 0 0 304.434 3.170 20 10 DGCDRN CN(C)c1ccc(CNc2nncn2Cc2ccccc2)cc1 ZINC000158967989 661880947 /nfs/dbraw/zinc/88/09/47/661880947.db2.gz ATFRGPXFDVWQEZ-UHFFFAOYSA-N 0 0 307.401 3.005 20 10 DGCDRN C[C@@H](CC(=O)NCc1ccc(O)c(O)c1)c1ccccc1F ZINC000158994223 661881064 /nfs/dbraw/zinc/88/10/64/661881064.db2.gz XCOMCXKANVEXIE-NSHDSACASA-N 0 0 303.333 3.047 20 10 DGCDRN CC(C)(C(=O)NCc1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC000159005022 661881534 /nfs/dbraw/zinc/88/15/34/661881534.db2.gz UCYXIOAKMKAJBO-UHFFFAOYSA-N 0 0 319.788 3.345 20 10 DGCDRN O=C(CCc1ccc(Cl)s1)NCc1ccc(O)c(O)c1 ZINC000159132988 661883031 /nfs/dbraw/zinc/88/30/31/661883031.db2.gz OMUUNGVEYARBDR-UHFFFAOYSA-N 0 0 311.790 3.062 20 10 DGCDRN C[C@H](Sc1nccs1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000048874434 661896579 /nfs/dbraw/zinc/89/65/79/661896579.db2.gz NQPGUYRZUOWMBC-JTQLQIEISA-N 0 0 307.444 3.328 20 10 DGCDRN CCCCn1ncc(NC(=O)N(C)Cc2ccccc2O)c1C ZINC000160132309 661901287 /nfs/dbraw/zinc/90/12/87/661901287.db2.gz GOQMVJIXMOTXNZ-UHFFFAOYSA-N 0 0 316.405 3.361 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Nc2ccc(F)cn2)cc1 ZINC000187934875 661908476 /nfs/dbraw/zinc/90/84/76/661908476.db2.gz WCZFKJPCABFCEJ-UHFFFAOYSA-N 0 0 316.380 3.389 20 10 DGCDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C1CCC1 ZINC000075288506 661923657 /nfs/dbraw/zinc/92/36/57/661923657.db2.gz LDOXFVVVLOSSDZ-UHFFFAOYSA-N 0 0 305.333 3.201 20 10 DGCDRN Cc1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)co1 ZINC000188430000 661930943 /nfs/dbraw/zinc/93/09/43/661930943.db2.gz FMKPMYGIAOZFRI-UHFFFAOYSA-N 0 0 316.426 3.071 20 10 DGCDRN CCc1cc(O)ccc1NS(=O)(=O)c1ccc(F)cc1C ZINC000189428223 661978046 /nfs/dbraw/zinc/97/80/46/661978046.db2.gz CAIYGMXYSFJMAD-UHFFFAOYSA-N 0 0 309.362 3.203 20 10 DGCDRN O=C(c1cccc(O)c1O)N(Cc1cccc(F)c1)C1CC1 ZINC000189868571 661994615 /nfs/dbraw/zinc/99/46/15/661994615.db2.gz GKXVGZFVXVZUNQ-UHFFFAOYSA-N 0 0 301.317 3.042 20 10 DGCDRN CCN(Cc1ccccc1)c1ccc([C@@H]2NC(=O)CN2CC)cc1 ZINC000189894474 661995604 /nfs/dbraw/zinc/99/56/04/661995604.db2.gz DLXYUZQMVCAVFX-HXUWFJFHSA-N 0 0 323.440 3.163 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cc(-c2cccs2)on1 ZINC000077258340 662018256 /nfs/dbraw/zinc/01/82/56/662018256.db2.gz QKPYZAQZLYYSLM-UHFFFAOYSA-N 0 0 314.366 3.381 20 10 DGCDRN O=[N+]([O-])c1cnc(Sc2nnc(-c3cccs3)o2)s1 ZINC000190305141 662027379 /nfs/dbraw/zinc/02/73/79/662027379.db2.gz RNCPWAOFNAMOEY-UHFFFAOYSA-N 0 0 312.357 3.314 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)CC1CC(OCC)C1 ZINC000190640411 662039385 /nfs/dbraw/zinc/03/93/85/662039385.db2.gz MOHWRVRHIHLJEY-UHFFFAOYSA-N 0 0 305.418 3.336 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(F)cc2)c1 ZINC000078493456 662071066 /nfs/dbraw/zinc/07/10/66/662071066.db2.gz AIFWWRMGNRPFCA-JTQLQIEISA-N 0 0 304.321 3.423 20 10 DGCDRN CC(C)Oc1ccc(N(C)CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000191596969 662073963 /nfs/dbraw/zinc/07/39/63/662073963.db2.gz LBJPFVCHQBFZRF-UHFFFAOYSA-N 0 0 323.396 3.420 20 10 DGCDRN OCCSc1ncc(-c2ccccc2)n1Cc1ccco1 ZINC000192879200 662113618 /nfs/dbraw/zinc/11/36/18/662113618.db2.gz YORYXADXLMNQJX-UHFFFAOYSA-N 0 0 300.383 3.276 20 10 DGCDRN O=C(Nc1ccc(Cc2ccncc2)cc1)c1cccc(O)c1O ZINC000192909970 662115707 /nfs/dbraw/zinc/11/57/07/662115707.db2.gz FQJZDLCMWPWFLI-UHFFFAOYSA-N 0 0 320.348 3.336 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N(C)[C@@H](C)C2CC2)cc1 ZINC000080069742 662129313 /nfs/dbraw/zinc/12/93/13/662129313.db2.gz LLVYBTXGSLEHOF-AWEZNQCLSA-N 0 0 303.450 3.473 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2scnc2C(C)(C)C)c1 ZINC000080097440 662130018 /nfs/dbraw/zinc/13/00/18/662130018.db2.gz CXAGYEITAGUMKS-UHFFFAOYSA-N 0 0 320.414 3.085 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CC2(Cl)Cl)cc1 ZINC000193744847 662147081 /nfs/dbraw/zinc/14/70/81/662147081.db2.gz YAGZYRJJJKBCKE-ZDUSSCGKSA-N 0 0 315.244 3.343 20 10 DGCDRN Nc1ccc(CC(=O)NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000194122767 662158019 /nfs/dbraw/zinc/15/80/19/662158019.db2.gz MPYVRKMLGBGESD-UHFFFAOYSA-N 0 0 324.302 3.026 20 10 DGCDRN COc1cc(/C=C2/SC(N3CCCCC3)=NC2=O)ccc1C ZINC000194522380 662167831 /nfs/dbraw/zinc/16/78/31/662167831.db2.gz ZLCUWWPAWHEADT-RVDMUPIBSA-N 0 0 316.426 3.460 20 10 DGCDRN CCCCOCCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000195111951 662178260 /nfs/dbraw/zinc/17/82/60/662178260.db2.gz IDFWPOSBTUEGJH-UHFFFAOYSA-N 0 0 315.417 3.036 20 10 DGCDRN O=[N+]([O-])c1cnc(Sc2ccc3c(c2)OCCCO3)s1 ZINC000195506007 662191111 /nfs/dbraw/zinc/19/11/11/662191111.db2.gz FJZMYTVMBBDLIY-UHFFFAOYSA-N 0 0 310.356 3.364 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Cc1ccc(F)c(F)c1 ZINC000087299395 662225058 /nfs/dbraw/zinc/22/50/58/662225058.db2.gz HABHMUIQJVRWMX-UHFFFAOYSA-N 0 0 318.367 3.198 20 10 DGCDRN C[C@@H]1CN(Cc2cc(F)ccc2O)[C@@H](c2ccccc2)CO1 ZINC000246048061 662246390 /nfs/dbraw/zinc/24/63/90/662246390.db2.gz XSUDRRDKMNUFOU-CXAGYDPISA-N 0 0 301.361 3.493 20 10 DGCDRN C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000248518046 662351419 /nfs/dbraw/zinc/35/14/19/662351419.db2.gz POFYIRWCXUABBK-MGPQQGTHSA-N 0 0 324.440 3.070 20 10 DGCDRN CCc1c[nH]c2ncnc(N[C@@H](C)c3cc(OC)ccc3O)c12 ZINC000892331637 685303311 /nfs/dbraw/zinc/30/33/11/685303311.db2.gz XZVUZAGUQUOBSQ-JTQLQIEISA-N 0 0 312.373 3.408 20 10 DGCDRN [O-]c1c(Br)cccc1C[NH2+]CC1CC(F)(F)C1 ZINC000383326494 685166246 /nfs/dbraw/zinc/16/62/46/685166246.db2.gz YNBOXBFXMSGPPQ-UHFFFAOYSA-N 0 0 306.150 3.290 20 10 DGCDRN C[C@@H]([NH2+]Cc1cccc(Br)c1[O-])[C@@H]1CCCOC1 ZINC000388942509 685191181 /nfs/dbraw/zinc/19/11/81/685191181.db2.gz GOROMJCEFTXFTJ-ZYHUDNBSSA-N 0 0 314.223 3.059 20 10 DGCDRN C[C@H]([NH2+]Cc1cccc(Br)c1[O-])[C@H]1CCCOC1 ZINC000388942505 685191792 /nfs/dbraw/zinc/19/17/92/685191792.db2.gz GOROMJCEFTXFTJ-JQWIXIFHSA-N 0 0 314.223 3.059 20 10 DGCDRN C[C@@H](NCc1ccc(N2CCCCC2)cc1)c1csnn1 ZINC000398377675 685236128 /nfs/dbraw/zinc/23/61/28/685236128.db2.gz LXSXAOYAEGSIAD-CYBMUJFWSA-N 0 0 302.447 3.379 20 10 DGCDRN CN(C(=O)c1cc(C(F)(F)F)ccc1N)c1ccc(N)cc1 ZINC001578389498 1191941007 /nfs/dbraw/zinc/94/10/07/1191941007.db2.gz OVUFPSXWCAKYGQ-UHFFFAOYSA-N 0 0 309.291 3.146 20 10 DGCDRN Cc1ncc2c(n1)CCC[C@@H]2[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001620788111 1191966706 /nfs/dbraw/zinc/96/67/06/1191966706.db2.gz WXJUSPVNMQEQEY-AWEZNQCLSA-N 0 0 321.783 3.450 20 10 DGCDRN COc1cc(OC)cc([C@@H](C)OC(=O)Cc2ccc(N)cc2)c1 ZINC001579170953 1191968197 /nfs/dbraw/zinc/96/81/97/1191968197.db2.gz IPZONZHYCFGDGX-GFCCVEGCSA-N 0 0 315.369 3.133 20 10 DGCDRN COc1ccc(NC(=O)NCc2ccc(N)cc2)c2cccnc12 ZINC001579228551 1191969698 /nfs/dbraw/zinc/96/96/98/1191969698.db2.gz RXVCOEWSACZXGC-UHFFFAOYSA-N 0 0 322.368 3.147 20 10 DGCDRN CSc1ccc(CCNC(=O)NCc2ccc(N)cc2)cc1 ZINC001579388492 1191975381 /nfs/dbraw/zinc/97/53/81/1191975381.db2.gz WNHIYMAUKLLWRE-UHFFFAOYSA-N 0 0 315.442 3.033 20 10 DGCDRN Cc1ccc(N)c2c1N(C(=O)/C=C\c1cncc(F)c1)CCC2 ZINC001579708958 1191988172 /nfs/dbraw/zinc/98/81/72/1191988172.db2.gz LMKNXJCRVDTNRY-ALCCZGGFSA-N 0 0 311.360 3.104 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)C2=CC[C@@H](C)CC2)cc1 ZINC001583621285 1192153622 /nfs/dbraw/zinc/15/36/22/1192153622.db2.gz FLUGVSNFNVESLW-OAHLLOKOSA-N 0 0 316.445 3.336 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1ccc2c(c1)COC2 ZINC001583816925 1192161583 /nfs/dbraw/zinc/16/15/83/1192161583.db2.gz OMCNDRFOEKDBRY-UHFFFAOYSA-N 0 0 303.745 3.006 20 10 DGCDRN C[C@H]1Cc2cc(C(=O)NCc3cc(Cl)ccc3O)ccc2O1 ZINC001583820844 1192161774 /nfs/dbraw/zinc/16/17/74/1192161774.db2.gz OCQPEDRCNZYIRM-JTQLQIEISA-N 0 0 317.772 3.299 20 10 DGCDRN Cc1cc(C(=O)Nn2cccn2)c(C)n1-c1cc(C)cc(C)c1 ZINC001584514774 1192201573 /nfs/dbraw/zinc/20/15/73/1192201573.db2.gz YXVPDGJCEMZIKP-UHFFFAOYSA-N 0 0 308.385 3.291 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccc3ccc(O)cc3c2O)c1 ZINC001584983039 1192234360 /nfs/dbraw/zinc/23/43/60/1192234360.db2.gz ADQLKHHERKIHNP-UHFFFAOYSA-N 0 0 323.348 3.195 20 10 DGCDRN C[C@@H](NC(=O)c1cc2ncccc2o1)c1ccc(N(C)C)cc1 ZINC001585422837 1192260652 /nfs/dbraw/zinc/26/06/52/1192260652.db2.gz DJZYLJZYFNEFHD-GFCCVEGCSA-N 0 0 309.369 3.385 20 10 DGCDRN CC(C)c1ccc(CCNC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001586861057 1192355171 /nfs/dbraw/zinc/35/51/71/1192355171.db2.gz FWKUAWLWQJTFKN-UHFFFAOYSA-N 0 0 313.397 3.123 20 10 DGCDRN COc1cccc2[nH]c(C(=O)N(C)Cc3ccccc3O)cc21 ZINC001588156344 1192436044 /nfs/dbraw/zinc/43/60/44/1192436044.db2.gz WAQKSHHSYNIHCE-UHFFFAOYSA-N 0 0 310.353 3.154 20 10 DGCDRN Cn1c(=O)oc2ccc(NCc3cc(Cl)cc(F)c3O)cc21 ZINC001620843978 1192446559 /nfs/dbraw/zinc/44/65/59/1192446559.db2.gz VPZDRXPELRKUCR-UHFFFAOYSA-N 0 0 322.723 3.242 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNc1cccc(NC(=O)CO)c1 ZINC001620844689 1192447343 /nfs/dbraw/zinc/44/73/43/1192447343.db2.gz FXDRRWIDQHEKHB-UHFFFAOYSA-N 0 0 323.396 3.030 20 10 DGCDRN C[S@@](=O)Cc1cccc(NCc2cc(F)cc(F)c2O)c1 ZINC001620852515 1192456314 /nfs/dbraw/zinc/45/63/14/1192456314.db2.gz WYBHSLWDEWKZHU-OAQYLSRUSA-N 0 0 311.353 3.161 20 10 DGCDRN Cc1cc(C)cc(C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2[O-])c1 ZINC001591951091 1192581733 /nfs/dbraw/zinc/58/17/33/1192581733.db2.gz IQSRYUQDXLYXGU-CYBMUJFWSA-N 0 0 323.400 3.040 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C)c(F)c2F)c1 ZINC001595806522 1192671567 /nfs/dbraw/zinc/67/15/67/1192671567.db2.gz NQAQIOPCXUZOLW-SNVBAGLBSA-N 0 0 321.323 3.478 20 10 DGCDRN CC(C)(NC(=O)c1cccc(O)c1O)c1ccc(F)cc1F ZINC001596180312 1192683800 /nfs/dbraw/zinc/68/38/00/1192683800.db2.gz ALSDOGZSUUGFHN-UHFFFAOYSA-N 0 0 307.296 3.041 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1ocnc1C1CC1 ZINC001597742844 1192745101 /nfs/dbraw/zinc/74/51/01/1192745101.db2.gz PTLIYKPLGIVCGM-UHFFFAOYSA-N 0 0 308.337 3.341 20 10 DGCDRN CC(=O)c1ccc(S(=O)(=O)Nc2cc(C)c(O)cc2C)cc1 ZINC000319634061 1176833168 /nfs/dbraw/zinc/83/31/68/1176833168.db2.gz DCZVRQMSKZWKQX-UHFFFAOYSA-N 0 0 319.382 3.012 20 10 DGCDRN Cc1c(C(=O)[O-])cc(C[NH2+][C@H](C)c2ccc(Cl)cc2O)n1C ZINC001599995873 1192780841 /nfs/dbraw/zinc/78/08/41/1192780841.db2.gz VSRCFVVEBIQUDP-SECBINFHSA-N 0 0 322.792 3.242 20 10 DGCDRN Oc1ccc(CN(Cc2ccccn2)Cc2ccccn2)c(O)c1 ZINC000139555044 1177252667 /nfs/dbraw/zinc/25/26/67/1177252667.db2.gz UBRCZZBXNOOOEU-UHFFFAOYSA-N 0 0 321.380 3.090 20 10 DGCDRN Cc1cc(C[N@H+](C)[C@H](C(=O)[O-])c2ccccc2)ccc1N(C)C ZINC001600188882 1192801494 /nfs/dbraw/zinc/80/14/94/1192801494.db2.gz OLWYXKIBWLSVJF-SFHVURJKSA-N 0 0 312.413 3.319 20 10 DGCDRN Cc1cc(C[N@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)ccc1N1CCCCC1 ZINC001600195908 1192804601 /nfs/dbraw/zinc/80/46/01/1192804601.db2.gz GQUJNIPKGCGABP-NVXWUHKLSA-N 0 0 316.445 3.138 20 10 DGCDRN Cc1cc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)ccc1C(=O)[O-] ZINC001600209739 1192810621 /nfs/dbraw/zinc/81/06/21/1192810621.db2.gz UELIYUGMYQRHAY-UHFFFAOYSA-N 0 0 316.376 3.188 20 10 DGCDRN Cc1cc(Cl)nc(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)c1 ZINC001600220167 1192814047 /nfs/dbraw/zinc/81/40/47/1192814047.db2.gz LNLGHXDDWFFWDU-SNVBAGLBSA-N 0 0 320.776 3.298 20 10 DGCDRN CC1(CNC(=O)Nc2c(-c3ccccn3)nc3ccccn32)CC1 ZINC001671076003 1177767947 /nfs/dbraw/zinc/76/79/47/1177767947.db2.gz HCTPKZNDHSWJRL-UHFFFAOYSA-N 0 0 321.384 3.318 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(C(=O)C2CC2)cc1 ZINC001179687767 1177804032 /nfs/dbraw/zinc/80/40/32/1177804032.db2.gz YBSAVIYSSHTVCP-WTDSWWLTSA-N 0 0 323.348 3.342 20 10 DGCDRN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)NCc1c(O)ccc2ccccc21 ZINC001157050342 1178039807 /nfs/dbraw/zinc/03/98/07/1178039807.db2.gz DZOMRVWLSMDLNI-ZVZLLHMNSA-N 0 0 313.397 3.221 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cnc2cc[nH]c2c1 ZINC001157051680 1178040826 /nfs/dbraw/zinc/04/08/26/1178040826.db2.gz ZZDPJOLMWFHJEH-UHFFFAOYSA-N 0 0 317.348 3.352 20 10 DGCDRN Oc1ccc2ccncc2c1C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC001331493448 1178226354 /nfs/dbraw/zinc/22/63/54/1178226354.db2.gz UAXNIVGTVWJPAX-CYBMUJFWSA-N 0 0 311.410 3.386 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H](C)Cc2ccccc2C)c1 ZINC001331502982 1178228721 /nfs/dbraw/zinc/22/87/21/1178228721.db2.gz GTXSIUOJEGBCSV-OAHLLOKOSA-N 0 0 312.413 3.439 20 10 DGCDRN Cc1cccc(C[N@@H+]2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)c1O ZINC001600533012 1192868345 /nfs/dbraw/zinc/86/83/45/1192868345.db2.gz GCHSISXUMJLLSN-IRXDYDNUSA-N 0 0 311.381 3.491 20 10 DGCDRN CO[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])c1ccc(F)cc1 ZINC001331726825 1178275512 /nfs/dbraw/zinc/27/55/12/1178275512.db2.gz VWRIRCWIFUQHAO-CQSZACIVSA-N 0 0 311.303 3.287 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)c1 ZINC001333507459 1178616386 /nfs/dbraw/zinc/61/63/86/1178616386.db2.gz MBSPFQXNDKCKAZ-TWJWRFFLSA-N 0 0 318.417 3.340 20 10 DGCDRN Oc1ccc2c(c1CNc1ncnc3scnc31)CCCC2 ZINC001333706858 1178657354 /nfs/dbraw/zinc/65/73/54/1178657354.db2.gz GAMXOSIZNDRJKZ-UHFFFAOYSA-N 0 0 312.398 3.283 20 10 DGCDRN CC(C)(C)C[N@H+](CC(=O)[O-])Cc1ccc(N2CCCC2)cc1 ZINC001333779369 1178671926 /nfs/dbraw/zinc/67/19/26/1178671926.db2.gz PXCRZDYUPZXLMM-UHFFFAOYSA-N 0 0 304.434 3.220 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)C3(C)CC=CC3)CC2)cc1 ZINC001334698628 1178782469 /nfs/dbraw/zinc/78/24/69/1178782469.db2.gz BRDKXWIYMKPQMM-UHFFFAOYSA-N 0 0 314.429 3.090 20 10 DGCDRN Cc1ncsc1/C=C/C(=O)Nc1c2nonc2ccc1Cl ZINC001334716088 1178784344 /nfs/dbraw/zinc/78/43/44/1178784344.db2.gz JIRPPIYHTLSNFV-SNAWJCMRSA-N 0 0 320.761 3.293 20 10 DGCDRN Cc1cc(CNc2nccc(CO)n2)c(C)n1-c1cccc(C)c1 ZINC001334939616 1178831770 /nfs/dbraw/zinc/83/17/70/1178831770.db2.gz OOTVREINXQBJSQ-UHFFFAOYSA-N 0 0 322.412 3.297 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cc(C)nc(C)c1 ZINC001335445625 1178911115 /nfs/dbraw/zinc/91/11/15/1178911115.db2.gz QBDIBUBNVNTFIS-UHFFFAOYSA-N 0 0 313.401 3.270 20 10 DGCDRN O=C(C[C@@H]1CCNc2ccccc21)NCc1c(O)cccc1F ZINC001341767544 1179059196 /nfs/dbraw/zinc/05/91/96/1179059196.db2.gz RDKFDDPGWCCULD-LBPRGKRZSA-N 0 0 314.360 3.137 20 10 DGCDRN CCc1ncc(C(=O)Nc2c3nonc3ccc2Cl)s1 ZINC001342951182 1179215121 /nfs/dbraw/zinc/21/51/21/1179215121.db2.gz LAJCOWFJWIZUQI-UHFFFAOYSA-N 0 0 308.750 3.147 20 10 DGCDRN Cc1[nH]nc2ncc(NCc3ccc(N4CCCC4)cc3)cc12 ZINC001343395338 1179266456 /nfs/dbraw/zinc/26/64/56/1179266456.db2.gz VJAKCDPORTVRJH-UHFFFAOYSA-N 0 0 307.401 3.479 20 10 DGCDRN CCOC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC001343973480 1179359316 /nfs/dbraw/zinc/35/93/16/1179359316.db2.gz VVGMSMQBTKKLPD-NSHDSACASA-N 0 0 315.772 3.102 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3ncc(Cl)s3)ccc21 ZINC001344334611 1179414846 /nfs/dbraw/zinc/41/48/46/1179414846.db2.gz KUEOBVYXOWAPQG-UHFFFAOYSA-N 0 0 321.833 3.109 20 10 DGCDRN O=C([O-])C[N@H+](Cc1ccc(Cl)cc1)Cc1cccc(F)c1[O-] ZINC001602059487 1192957238 /nfs/dbraw/zinc/95/72/38/1192957238.db2.gz RWLKQDKMPRODJF-UHFFFAOYSA-N 0 0 323.751 3.272 20 10 DGCDRN COCc1nnc(-c2cc(C)n(-c3ccc(F)cc3)c2C)o1 ZINC001345896929 1179620145 /nfs/dbraw/zinc/62/01/45/1179620145.db2.gz YLLRPQPNKYDQQC-UHFFFAOYSA-N 0 0 301.321 3.430 20 10 DGCDRN Nc1ccc(CNC(=O)N[C@H](Cc2ccccc2)C2CC2)cc1 ZINC001346340729 1179686236 /nfs/dbraw/zinc/68/62/36/1179686236.db2.gz TWZARMBUGOOJPL-GOSISDBHSA-N 0 0 309.413 3.089 20 10 DGCDRN O=C([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CCC2 ZINC001602411757 1192977419 /nfs/dbraw/zinc/97/74/19/1192977419.db2.gz DPPJVRAJCVLGTD-GOSISDBHSA-N 0 0 323.392 3.487 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCCCc1ccsc1 ZINC001346777308 1179746616 /nfs/dbraw/zinc/74/66/16/1179746616.db2.gz DRPFQFUAAXVKRH-UHFFFAOYSA-N 0 0 304.415 3.228 20 10 DGCDRN Cc1sccc1CC(=O)Nc1c2nonc2ccc1Cl ZINC001346940295 1179763206 /nfs/dbraw/zinc/76/32/06/1179763206.db2.gz FWRRGSMLHZTGHH-UHFFFAOYSA-N 0 0 307.762 3.427 20 10 DGCDRN CC[C@@H]1C[C@@H](CC(=O)Nc2c3nonc3ccc2Cl)CCO1 ZINC001346941740 1179763650 /nfs/dbraw/zinc/76/36/50/1179763650.db2.gz YAWVNLYWUKKEQD-VHSXEESVSA-N 0 0 323.780 3.410 20 10 DGCDRN C[C@H](CCc1ccc(F)cc1)C(=O)NCc1cccc(O)c1O ZINC001347235345 1179785663 /nfs/dbraw/zinc/78/56/63/1179785663.db2.gz UXWCYABYTLHRPX-GFCCVEGCSA-N 0 0 317.360 3.122 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCCS1 ZINC001349116559 1179874601 /nfs/dbraw/zinc/87/46/01/1179874601.db2.gz BGLQGLNPGFMLPE-INIZCTEOSA-N 0 0 304.459 3.141 20 10 DGCDRN CC[C@@H](NCc1ccc(N2CCCC2)cc1)C(=O)OC(C)(C)C ZINC001349296217 1179889710 /nfs/dbraw/zinc/88/97/10/1179889710.db2.gz MRFDAHAXIGODJY-QGZVFWFLSA-N 0 0 318.461 3.497 20 10 DGCDRN C[C@H]1CCc2sc(C(=O)NCc3cccc(O)c3O)cc2C1 ZINC001350300205 1180048237 /nfs/dbraw/zinc/04/82/37/1180048237.db2.gz OAZSOEFZQGUSNA-JTQLQIEISA-N 0 0 317.410 3.214 20 10 DGCDRN CC1(C)[C@@H]2CC[C@@]1(C(=O)NCc1cccc(Cl)c1O)C(=O)C2 ZINC001350803266 1180124274 /nfs/dbraw/zinc/12/42/74/1180124274.db2.gz FSWCNGRMMLPWQY-DIFFPNOSSA-N 0 0 321.804 3.057 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCCOCC1 ZINC001351164313 1180181868 /nfs/dbraw/zinc/18/18/68/1180181868.db2.gz WFFSYQBXIPYQBW-KRWDZBQOSA-N 0 0 316.445 3.062 20 10 DGCDRN COc1cccc2c(C(=O)NCc3ccc(N(C)C)cc3)coc21 ZINC001351265568 1180193322 /nfs/dbraw/zinc/19/33/22/1180193322.db2.gz GZIQMBLQLGEKHJ-UHFFFAOYSA-N 0 0 324.380 3.437 20 10 DGCDRN C[C@@H]1CSCCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001351855694 1180255990 /nfs/dbraw/zinc/25/59/90/1180255990.db2.gz AWSWRSGHIOYLFI-SECBINFHSA-N 0 0 323.439 3.280 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cnc(CC3CC3)s2)cc1 ZINC001352214803 1180309791 /nfs/dbraw/zinc/30/97/91/1180309791.db2.gz FZIRWOIMMBPYTH-UHFFFAOYSA-N 0 0 315.442 3.092 20 10 DGCDRN CCCN(CCC)c1ccc(CN[C@H](C)c2nncn2C)cc1 ZINC001200204428 1180449174 /nfs/dbraw/zinc/44/91/74/1180449174.db2.gz RLGVEKDUSWHTSP-OAHLLOKOSA-N 0 0 315.465 3.292 20 10 DGCDRN C[C@H]1CCc2ccccc2[C@@H]1NC(=O)NCc1ccc(N)cc1 ZINC001353394271 1180547861 /nfs/dbraw/zinc/54/78/61/1180547861.db2.gz XHDHBQPDBWEFCK-SCLBCKFNSA-N 0 0 309.413 3.392 20 10 DGCDRN CC[C@@H]1c2ccccc2CN1C(=O)NCCc1ccc(N)cc1 ZINC001353426141 1180556652 /nfs/dbraw/zinc/55/66/52/1180556652.db2.gz VWUCJGWCPDPGIW-GOSISDBHSA-N 0 0 309.413 3.488 20 10 DGCDRN CCS[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(N)cc1 ZINC001353492863 1180569991 /nfs/dbraw/zinc/56/99/91/1180569991.db2.gz ONPHGNQJDDUFPI-CABCVRRESA-N 0 0 307.463 3.132 20 10 DGCDRN COc1ccc(CNC(=S)N[C@@H](C)c2ccccc2O)cc1 ZINC001200365833 1180578094 /nfs/dbraw/zinc/57/80/94/1180578094.db2.gz MZTYBIHCQIZUEH-LBPRGKRZSA-N 0 0 316.426 3.126 20 10 DGCDRN CC[C@H](C)NC(=S)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001200481854 1180672608 /nfs/dbraw/zinc/67/26/08/1180672608.db2.gz JQWDQFZNPSHMCC-AWEZNQCLSA-N 0 0 305.491 3.392 20 10 DGCDRN Cc1nscc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001353911996 1180681972 /nfs/dbraw/zinc/68/19/72/1180681972.db2.gz VPHWBDBRHBDEAB-UHFFFAOYSA-N 0 0 315.442 3.324 20 10 DGCDRN C[C@@H]1C[C@@H](C)[C@@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)O1 ZINC001353912293 1180682405 /nfs/dbraw/zinc/68/24/05/1180682405.db2.gz WGKHCEKYUWOIOI-RKVPGOIHSA-N 0 0 316.445 3.059 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=S)NC1CC1 ZINC001200640426 1180777560 /nfs/dbraw/zinc/77/75/60/1180777560.db2.gz HESFBQXKIRSKSC-OAHLLOKOSA-N 0 0 304.459 3.259 20 10 DGCDRN C[C@@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)c1nccs1 ZINC001604186070 1193059098 /nfs/dbraw/zinc/05/90/98/1193059098.db2.gz VVUCWVQTGNUWKT-UWVGGRQHSA-N 0 0 306.387 3.001 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H](OC)C2CCCC2)cc1 ZINC001355015439 1180962490 /nfs/dbraw/zinc/96/24/90/1180962490.db2.gz NICWRIRZBGKPPG-GOSISDBHSA-N 0 0 318.461 3.354 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CC=C(C(=O)[O-])C1)c1cc2c(cc1O)CCCC2 ZINC001604329402 1193065528 /nfs/dbraw/zinc/06/55/28/1193065528.db2.gz JYLNOBUGRXTSFO-ABAIWWIYSA-N 0 0 301.386 3.095 20 10 DGCDRN C[C@@H]([NH2+]Cc1nc(C2CC2)cs1)c1cc(C(=O)[O-])ccc1O ZINC001604348409 1193067731 /nfs/dbraw/zinc/06/77/31/1193067731.db2.gz GFOSOGDXHGQLDT-SECBINFHSA-N 0 0 318.398 3.275 20 10 DGCDRN C/C=C/C[C@H]1CCCN(c2nnc(C3SC=CC3=O)n2C)C1 ZINC001355345531 1181040369 /nfs/dbraw/zinc/04/03/69/1181040369.db2.gz XGTSZENADJHBJT-PCAWENJQSA-N 0 0 318.446 3.432 20 10 DGCDRN COC1(C(=O)NCc2ccc(N(C)C)c(F)c2)CCCCCC1 ZINC001356251128 1181164106 /nfs/dbraw/zinc/16/41/06/1181164106.db2.gz QFBSTNRXNGSUKD-UHFFFAOYSA-N 0 0 322.424 3.247 20 10 DGCDRN Cc1cc(Br)cc(NCCc2ccc(O)c(O)c2)n1 ZINC001650817750 1195385802 /nfs/dbraw/zinc/38/58/02/1195385802.db2.gz JBIIBYCZKHZZDA-UHFFFAOYSA-N 0 0 323.190 3.218 20 10 DGCDRN C[C@H]1CC[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])[C@H]1C ZINC001604753562 1193091824 /nfs/dbraw/zinc/09/18/24/1193091824.db2.gz DFZPWINLUVAGAX-QWRGUYRKSA-N 0 0 304.365 3.246 20 10 DGCDRN Cc1nc(C(C)(C)NC(=O)NCc2ccc(N)cc2)sc1C ZINC001357791536 1181428290 /nfs/dbraw/zinc/42/82/90/1181428290.db2.gz NSGMJHFASULUFM-UHFFFAOYSA-N 0 0 318.446 3.077 20 10 DGCDRN CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001604983745 1193104288 /nfs/dbraw/zinc/10/42/88/1193104288.db2.gz MVZUOTGZAKAFKF-WCBMZHEXSA-N 0 0 305.296 3.472 20 10 DGCDRN COC(=O)[C@H](CC(C)(C)C)NC/C=C\c1ccc(N(C)C)cc1 ZINC001474596532 1181593569 /nfs/dbraw/zinc/59/35/69/1181593569.db2.gz JAFVISYSIFDWGE-QWPQOLDESA-N 0 0 318.461 3.333 20 10 DGCDRN CN(C)c1ccc(/C=C/C[N@@H+]2CCO[C@@](C)(C3CC3)C2)cc1 ZINC001474626064 1181595257 /nfs/dbraw/zinc/59/52/57/1181595257.db2.gz RYFCNWOIRKCHEI-VZSQWMKGSA-N 0 0 300.446 3.267 20 10 DGCDRN COCCN(C(=O)/C=C\c1ccc(Cl)nc1)c1ccccc1 ZINC001436261367 1181879940 /nfs/dbraw/zinc/87/99/40/1181879940.db2.gz PPSOIYIGHHFDCJ-NTMALXAHSA-N 0 0 316.788 3.428 20 10 DGCDRN CC(=O)c1cccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001440497854 1182040250 /nfs/dbraw/zinc/04/02/50/1182040250.db2.gz VKUSSOBLEKXKGR-UHFFFAOYSA-N 0 0 310.313 3.304 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@@H](C)O[C@H]2C)cc1F ZINC001443764466 1182108873 /nfs/dbraw/zinc/10/88/73/1182108873.db2.gz AQYYCGKOCXJIBM-VNHYZAJKSA-N 0 0 322.424 3.102 20 10 DGCDRN Cc1ccnc(-c2cccc(NC(=O)c3cccc(O)c3O)c2)n1 ZINC001443856209 1182109751 /nfs/dbraw/zinc/10/97/51/1182109751.db2.gz AYGMRIPWWCMLDK-UHFFFAOYSA-N 0 0 321.336 3.116 20 10 DGCDRN COc1ccccc1C(F)(F)C(=O)N(C)Cc1ccccc1O ZINC001445645278 1182152628 /nfs/dbraw/zinc/15/26/28/1182152628.db2.gz KBHXMXSFJPKNBC-UHFFFAOYSA-N 0 0 321.323 3.151 20 10 DGCDRN CC[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(C)c(F)c1 ZINC001446888167 1182179393 /nfs/dbraw/zinc/17/93/93/1182179393.db2.gz HMIXEEICXVBOAT-CQSZACIVSA-N 0 0 303.333 3.426 20 10 DGCDRN C[C@@H](NC(=O)c1cccc(O)c1F)c1ccc(N(C)C)cc1 ZINC001447968422 1182199315 /nfs/dbraw/zinc/19/93/15/1182199315.db2.gz JACFXYLQHHDHDZ-LLVKDONJSA-N 0 0 302.349 3.088 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1C[C@@H](O)C1(C)C ZINC001448027984 1182200536 /nfs/dbraw/zinc/20/05/36/1182200536.db2.gz NRELICAQZBMGBS-UONOGXRCSA-N 0 0 318.442 3.045 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1cccc(C(F)F)c1F ZINC001451757245 1182274794 /nfs/dbraw/zinc/27/47/94/1182274794.db2.gz LORURMOYGQVTFW-UHFFFAOYSA-N 0 0 311.259 3.105 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](C2CCCCC2)C1 ZINC001452956306 1182305727 /nfs/dbraw/zinc/30/57/27/1182305727.db2.gz QOYMXWDFCTUODX-OAHLLOKOSA-N 0 0 303.402 3.069 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cc(F)cc(Cl)c2N)c1 ZINC001453646358 1182320320 /nfs/dbraw/zinc/32/03/20/1182320320.db2.gz ACEDMXANODYXMQ-UHFFFAOYSA-N 0 0 308.740 3.005 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ncccc2-c2ccccn2)c1 ZINC001453656367 1182321280 /nfs/dbraw/zinc/32/12/80/1182321280.db2.gz KRCUVGCUPYMJHU-UHFFFAOYSA-N 0 0 319.364 3.088 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CSc2ccc(F)cc2)c1 ZINC001453653704 1182321814 /nfs/dbraw/zinc/32/18/14/1182321814.db2.gz XIECNQOYBRGZCQ-UHFFFAOYSA-N 0 0 305.374 3.248 20 10 DGCDRN O=C(Nc1ccc(O[C@@H]2CC2(F)F)cc1)C1=CC(=O)CS1 ZINC001453772351 1182325550 /nfs/dbraw/zinc/32/55/50/1182325550.db2.gz ORJZBLZYHWLGCJ-GFCCVEGCSA-N 0 0 311.309 3.492 20 10 DGCDRN Cc1cc(CNC(=O)c2cn(C)cn2)c(C)n1-c1cccc(C)c1 ZINC001454624803 1182348492 /nfs/dbraw/zinc/34/84/92/1182348492.db2.gz NMFANKXYPTVUET-UHFFFAOYSA-N 0 0 322.412 3.066 20 10 DGCDRN COc1cc(C(=O)N2Cc3cccc(O)c3C2)ccc1Cl ZINC001455037339 1182358903 /nfs/dbraw/zinc/35/89/03/1182358903.db2.gz PTPHOSSDNLOMGD-UHFFFAOYSA-N 0 0 303.745 3.210 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1cc(Cl)ccc1Cl ZINC001455318240 1182366470 /nfs/dbraw/zinc/36/64/70/1182366470.db2.gz MSIJZELZDZHIHX-UHFFFAOYSA-N 0 0 312.152 3.335 20 10 DGCDRN CC(F)(F)c1ccc(C(=O)NCc2cc(O)ccc2O)cc1 ZINC001455355170 1182367286 /nfs/dbraw/zinc/36/72/86/1182367286.db2.gz AMFANRNIYULLSH-UHFFFAOYSA-N 0 0 307.296 3.140 20 10 DGCDRN Cc1ccccc1C(C)(C)C(=O)NCc1c(O)cccc1F ZINC001456093847 1182397188 /nfs/dbraw/zinc/39/71/88/1182397188.db2.gz ONIFWALCYZPGSM-UHFFFAOYSA-N 0 0 301.361 3.434 20 10 DGCDRN CC(C)c1nc2ccccn2c1NC(=O)C1=CC(=O)CS1 ZINC001456179799 1182403990 /nfs/dbraw/zinc/40/39/90/1182403990.db2.gz VQFCJKIVISVLBQ-UHFFFAOYSA-N 0 0 301.371 3.477 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)[C@@H]1CCCCS1 ZINC001456306922 1182409253 /nfs/dbraw/zinc/40/92/53/1182409253.db2.gz AUAJNJCAGPGGKS-INIZCTEOSA-N 0 0 301.411 3.447 20 10 DGCDRN Cc1cnc(C(=O)NCc2c(O)ccc3ccccc32)cc1C ZINC001456322916 1182410036 /nfs/dbraw/zinc/41/00/36/1182410036.db2.gz ZLJLHMTUWMQBPH-UHFFFAOYSA-N 0 0 306.365 3.487 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1ncc(F)cc1F ZINC001456307197 1182410111 /nfs/dbraw/zinc/41/01/11/1182410111.db2.gz BOGINIIEVAUENY-UHFFFAOYSA-N 0 0 314.291 3.149 20 10 DGCDRN O=C(C=Cc1ccc(O)c(O)c1)Nc1n[nH]cc1-c1ccccc1 ZINC001456907378 1182435593 /nfs/dbraw/zinc/43/55/93/1182435593.db2.gz FWJCWFAVNFDBOD-VQHVLOKHSA-N 0 0 321.336 3.140 20 10 DGCDRN Cc1ncccc1/C=C\C(=O)N1C[C@H](C)Oc2c(F)cccc21 ZINC001459125101 1182570416 /nfs/dbraw/zinc/57/04/16/1182570416.db2.gz NWPAMABUAMCOQF-LAUAKBEESA-N 0 0 312.344 3.356 20 10 DGCDRN CCOc1ccc(N(CC)Cc2nc(CC3CC3)no2)cc1 ZINC001459740472 1182610657 /nfs/dbraw/zinc/61/06/57/1182610657.db2.gz NODXDVHJZQEPMK-UHFFFAOYSA-N 0 0 301.390 3.447 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCCc1nc2ccccc2[nH]1 ZINC001461109571 1182769850 /nfs/dbraw/zinc/76/98/50/1182769850.db2.gz JAXQXZBFMCULMS-UHFFFAOYSA-N 0 0 317.339 3.269 20 10 DGCDRN COC(=O)c1csc(CN2CCCc3cc(OC)ccc32)c1 ZINC001462065557 1182903658 /nfs/dbraw/zinc/90/36/58/1182903658.db2.gz NOEKUPIZFHBZIM-UHFFFAOYSA-N 0 0 317.410 3.496 20 10 DGCDRN CN(C)c1ccc(C[N@@H+]2CCc3cc(C(=O)[O-])ccc3C2)cc1 ZINC001606054456 1193188866 /nfs/dbraw/zinc/18/88/66/1193188866.db2.gz XLSAKESTIBEYLA-UHFFFAOYSA-N 0 0 310.397 3.009 20 10 DGCDRN CC(C)c1ccc(O)c(CNc2cccc3c2NC(=O)CO3)c1 ZINC001462530927 1182965057 /nfs/dbraw/zinc/96/50/57/1182965057.db2.gz KWJWAFDFUCTIRN-UHFFFAOYSA-N 0 0 312.369 3.459 20 10 DGCDRN C[N@H+](Cc1cccc(Cl)c1[O-])[C@@H](C(=O)[O-])c1ccccc1 ZINC001606164928 1193192009 /nfs/dbraw/zinc/19/20/09/1193192009.db2.gz PSQQCFRULNACDP-CQSZACIVSA-N 0 0 305.761 3.303 20 10 DGCDRN COc1cccc2c1nc(NCc1cccc(F)c1O)n2C ZINC001462684302 1182985307 /nfs/dbraw/zinc/98/53/07/1182985307.db2.gz ZUQOXYPSTHMALZ-UHFFFAOYSA-N 0 0 301.321 3.039 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NCc2ccc(Cl)s2)cc1 ZINC001463863919 1183052709 /nfs/dbraw/zinc/05/27/09/1183052709.db2.gz LTMDQMFPNSJCMQ-UHFFFAOYSA-N 0 0 322.777 3.494 20 10 DGCDRN C[C@H](c1cc(F)ccc1F)N(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001464071109 1183068239 /nfs/dbraw/zinc/06/82/39/1183068239.db2.gz HXJZZZHIRBAIQT-SNVBAGLBSA-N 0 0 321.323 3.138 20 10 DGCDRN Cn1c(C(=O)NCc2cccc(Cl)c2O)cc2ccccc21 ZINC001606860496 1193206637 /nfs/dbraw/zinc/20/66/37/1193206637.db2.gz NNQZAEOVCCZMKY-UHFFFAOYSA-N 0 0 314.772 3.467 20 10 DGCDRN CN1CCCc2cc(CNC(=O)NC3(C4CC4)CCC3)ccc21 ZINC001468321937 1183325907 /nfs/dbraw/zinc/32/59/07/1183325907.db2.gz WUHSNUOHAUHTRY-UHFFFAOYSA-N 0 0 313.445 3.201 20 10 DGCDRN Cc1ccc(C(=O)NC[C@H]2CSc3ccccc32)c(O)c1O ZINC001468353908 1183327670 /nfs/dbraw/zinc/32/76/70/1183327670.db2.gz YMOQIQGSCVEOCM-NSHDSACASA-N 0 0 315.394 3.026 20 10 DGCDRN COc1cc(C[NH2+]C(C)(C)CCC(=O)[O-])c(O)c(C(C)(C)C)c1 ZINC001607164206 1193216604 /nfs/dbraw/zinc/21/66/04/1193216604.db2.gz RQBYRAXCDCUONT-UHFFFAOYSA-N 0 0 323.433 3.431 20 10 DGCDRN C[C@H](NC(=O)NCCc1cccc(F)c1F)c1ccccc1O ZINC001468773695 1183359084 /nfs/dbraw/zinc/35/90/84/1183359084.db2.gz GYROPZPMZZVIEN-NSHDSACASA-N 0 0 320.339 3.273 20 10 DGCDRN O=C(NCc1c(O)cccc1F)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC001468787082 1183359333 /nfs/dbraw/zinc/35/93/33/1183359333.db2.gz OEYMOCJYFGYXRF-JHJVBQTASA-N 0 0 306.381 3.299 20 10 DGCDRN CC(C)[C@]1(C)C[C@@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001468806868 1183360993 /nfs/dbraw/zinc/36/09/93/1183360993.db2.gz BCIBEODESPBHCF-HOCLYGCPSA-N 0 0 305.399 3.477 20 10 DGCDRN CCC(C)(C)C(=O)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001469103772 1183382926 /nfs/dbraw/zinc/38/29/26/1183382926.db2.gz KNDROSLXVAVOEO-AWEZNQCLSA-N 0 0 318.461 3.114 20 10 DGCDRN COc1c[nH]nc1NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC001469684590 1183429080 /nfs/dbraw/zinc/42/90/80/1183429080.db2.gz RYLNYHHPAVTBDF-UHFFFAOYSA-N 0 0 324.384 3.387 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1ncc(Cl)s1 ZINC001469877456 1183443300 /nfs/dbraw/zinc/44/33/00/1183443300.db2.gz OSBXLVMFUFCDGS-UHFFFAOYSA-N 0 0 303.170 3.086 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCc2ccccc2O1 ZINC001469877436 1183443603 /nfs/dbraw/zinc/44/36/03/1183443603.db2.gz OGUDZFGYYXDZIV-INIZCTEOSA-N 0 0 317.772 3.056 20 10 DGCDRN Cc1cccc(COCC(=O)NCc2cc(Cl)ccc2O)c1 ZINC001469876762 1183443719 /nfs/dbraw/zinc/44/37/19/1183443719.db2.gz JOZFPDICZNKXEZ-UHFFFAOYSA-N 0 0 319.788 3.187 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Cc2ccc(-n3cccc3)cc2)c1 ZINC001470253926 1183472080 /nfs/dbraw/zinc/47/20/80/1183472080.db2.gz BRZJAJZRORWRPG-UHFFFAOYSA-N 0 0 320.392 3.350 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2nc3ccccc3cc2C)c1 ZINC001470258386 1183473767 /nfs/dbraw/zinc/47/37/67/1183473767.db2.gz SZGJRKXXZJYZMO-UHFFFAOYSA-N 0 0 306.365 3.487 20 10 DGCDRN C=Cc1ccc(CCNC(=O)NCc2c(O)cccc2F)cc1 ZINC001470263420 1183474689 /nfs/dbraw/zinc/47/46/89/1183474689.db2.gz NWHPRSDPJKPGBQ-UHFFFAOYSA-N 0 0 314.360 3.216 20 10 DGCDRN Cc1cc(CNC(=O)c2c[nH]nc2C)c(C)n1-c1ccccc1 ZINC001471018151 1183532615 /nfs/dbraw/zinc/53/26/15/1183532615.db2.gz QOWYUNQZBDZMPM-UHFFFAOYSA-N 0 0 308.385 3.056 20 10 DGCDRN C[C@@H](NC(=O)COc1ccccc1Cl)c1ccccc1O ZINC001471193996 1183545652 /nfs/dbraw/zinc/54/56/52/1183545652.db2.gz NEJCPEPWNDJDOM-LLVKDONJSA-N 0 0 305.761 3.302 20 10 DGCDRN C[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1O ZINC001471194044 1183545663 /nfs/dbraw/zinc/54/56/63/1183545663.db2.gz BIYMMHPOVVPOKC-RYUDHWBXSA-N 0 0 314.341 3.281 20 10 DGCDRN C[C@@H](CC(=O)NCc1c(O)cccc1F)c1ccccc1F ZINC001471974629 1183604154 /nfs/dbraw/zinc/60/41/54/1183604154.db2.gz IHMQQDLTKUJEJQ-NSHDSACASA-N 0 0 305.324 3.480 20 10 DGCDRN COC(=O)c1cnc(Sc2cnc3ccccc3n2)s1 ZINC001472791299 1183681952 /nfs/dbraw/zinc/68/19/52/1183681952.db2.gz FBAHNQQFMMEQRD-UHFFFAOYSA-N 0 0 303.368 3.024 20 10 DGCDRN Cc1nc(-c2cccnc2)nc(N2Cc3cccc(O)c3C2)c1C ZINC001472860315 1183691490 /nfs/dbraw/zinc/69/14/90/1183691490.db2.gz ZDVVUVUMBIKPKW-UHFFFAOYSA-N 0 0 318.380 3.381 20 10 DGCDRN COc1ccc(N(C)C[C@@H]2CC[C@H](C(F)(F)F)O2)cc1F ZINC001473251862 1183736079 /nfs/dbraw/zinc/73/60/79/1183736079.db2.gz XWPDCSPFWKBXER-GXFFZTMASA-N 0 0 307.287 3.380 20 10 DGCDRN COc1ccc(N(C)C[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1F ZINC001473251860 1183736246 /nfs/dbraw/zinc/73/62/46/1183736246.db2.gz XWPDCSPFWKBXER-GWCFXTLKSA-N 0 0 307.287 3.380 20 10 DGCDRN Cc1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)ccc1C(=O)[O-] ZINC001607635861 1193244031 /nfs/dbraw/zinc/24/40/31/1193244031.db2.gz KCYBNZHTLFXBLL-UHFFFAOYSA-N 0 0 312.413 3.391 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H](CO)C1CCCCC1 ZINC001474024427 1183853023 /nfs/dbraw/zinc/85/30/23/1183853023.db2.gz KKBBGKWFPHWIRO-CQSZACIVSA-N 0 0 301.789 3.216 20 10 DGCDRN CCS[C@H]1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001474038129 1183856596 /nfs/dbraw/zinc/85/65/96/1183856596.db2.gz LRXBBEDUMGSERO-JSGCOSHPSA-N 0 0 310.419 3.454 20 10 DGCDRN c1cn(-c2ccc(NCc3ccc(N4CCCC4)cc3)cc2)nn1 ZINC001474054758 1183858917 /nfs/dbraw/zinc/85/89/17/1183858917.db2.gz AWJZVELKLGUBMU-UHFFFAOYSA-N 0 0 319.412 3.480 20 10 DGCDRN Cc1ccc(C(N)=O)cc1NCc1ccc(N2CCCC2)cc1 ZINC001474054048 1183859095 /nfs/dbraw/zinc/85/90/95/1183859095.db2.gz QSGNDLDNIJZDHW-UHFFFAOYSA-N 0 0 309.413 3.306 20 10 DGCDRN Oc1cccc(Br)c1CNc1ccc2[nH]nnc2c1 ZINC001474052389 1183859162 /nfs/dbraw/zinc/85/91/62/1183859162.db2.gz LRJILPDRNYWQRA-UHFFFAOYSA-N 0 0 319.162 3.038 20 10 DGCDRN COCCCn1ccc(NCc2c(C)c3ccccc3n2C)n1 ZINC001474068565 1183861474 /nfs/dbraw/zinc/86/14/74/1183861474.db2.gz MNJPHSRLRQGWFD-UHFFFAOYSA-N 0 0 312.417 3.332 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)Cc1ccnc(OC)c1F ZINC001474408180 1183916977 /nfs/dbraw/zinc/91/69/77/1183916977.db2.gz CAYYRGUWSGRJEC-UHFFFAOYSA-N 0 0 317.408 3.317 20 10 DGCDRN COc1cc(C)c(CNc2cc3c(cc2C)OCO3)c(O)c1 ZINC001474435112 1183921017 /nfs/dbraw/zinc/92/10/17/1183921017.db2.gz AFLBWBIZQBKGER-UHFFFAOYSA-N 0 0 301.342 3.358 20 10 DGCDRN COc1ccc2c(c1)N(Cc1cc(F)c(F)cc1O)C[C@@H](C)O2 ZINC001474467220 1183926877 /nfs/dbraw/zinc/92/68/77/1183926877.db2.gz RSMKGPLGSWPGDK-SNVBAGLBSA-N 0 0 321.323 3.467 20 10 DGCDRN Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001474504822 1183932894 /nfs/dbraw/zinc/93/28/94/1183932894.db2.gz KZSXNPYTFSJEGL-CQSZACIVSA-N 0 0 307.344 3.347 20 10 DGCDRN COC(=O)Nc1cccc(C[NH2+]Cc2ccc(F)c(F)c2[O-])c1 ZINC001474513601 1183933859 /nfs/dbraw/zinc/93/38/59/1183933859.db2.gz GIVCEHSTCPADPC-UHFFFAOYSA-N 0 0 322.311 3.139 20 10 DGCDRN CC[C@@H](C)[NH+]1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC001474524731 1183934610 /nfs/dbraw/zinc/93/46/10/1183934610.db2.gz AMXSMRQJHSLGPD-LLVKDONJSA-N 0 0 300.805 3.101 20 10 DGCDRN Cc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)c(C(=O)[O-])n2)c(O)c1 ZINC001607751765 1193253346 /nfs/dbraw/zinc/25/33/46/1193253346.db2.gz IIENILADEDXVDS-JTQLQIEISA-N 0 0 320.776 3.298 20 10 DGCDRN Cn1c2ccc(OS(=O)(=O)CC3CC3)cc2c2c1CCCC2 ZINC001475423533 1184002948 /nfs/dbraw/zinc/00/29/48/1184002948.db2.gz LIMPEKNWJHXGLW-UHFFFAOYSA-N 0 0 319.426 3.176 20 10 DGCDRN Cc1cccc(F)c1C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001607855393 1193262866 /nfs/dbraw/zinc/26/28/66/1193262866.db2.gz SAQBYXTXWBAYJW-NSHDSACASA-N 0 0 303.333 3.389 20 10 DGCDRN O=C(NCCc1ccc2[nH]ccc2c1)N1Cc2cccc(O)c2C1 ZINC001478507768 1184155810 /nfs/dbraw/zinc/15/58/10/1184155810.db2.gz GTIPSTAHZPRWJG-UHFFFAOYSA-N 0 0 321.380 3.141 20 10 DGCDRN Cn1c2ccc(F)cc2c(C[NH2+]CCC2CC=CC2)c1C(=O)[O-] ZINC001608078928 1193277653 /nfs/dbraw/zinc/27/76/53/1193277653.db2.gz NDEIVYPKAYYFGN-UHFFFAOYSA-N 0 0 316.376 3.462 20 10 DGCDRN Cc1ccccc1OCCC(=O)NCc1ccc(N(C)C)cc1 ZINC000008171100 1193345436 /nfs/dbraw/zinc/34/54/36/1193345436.db2.gz IIMBJYQZXCYESD-UHFFFAOYSA-N 0 0 312.413 3.146 20 10 DGCDRN CC(C)[N@@H+]1CCCC[C@H]1CSc1ncc(C(=O)[O-])s1 ZINC001609706836 1193350774 /nfs/dbraw/zinc/35/07/74/1193350774.db2.gz PLJZDJCTNNTRED-JTQLQIEISA-N 0 0 300.449 3.196 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(C(=O)[O-])ccc1F)c1ccc(N(C)C)cc1 ZINC001609779538 1193356093 /nfs/dbraw/zinc/35/60/93/1193356093.db2.gz LMMMZOWNXCZSCR-LBPRGKRZSA-N 0 0 316.376 3.441 20 10 DGCDRN C[C@@H]([NH2+][C@@H](CO)CC1CCCCC1)c1cc(C(=O)[O-])ccc1O ZINC001609778743 1193355697 /nfs/dbraw/zinc/35/56/97/1193355697.db2.gz XOVKTELEQVZKEF-IUODEOHRSA-N 0 0 321.417 3.072 20 10 DGCDRN O=C([O-])C[C@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC001610763599 1193407528 /nfs/dbraw/zinc/40/75/28/1193407528.db2.gz ZVMHKYXZQGHAQX-QGZVFWFLSA-N 0 0 311.381 3.498 20 10 DGCDRN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CC=CCC1 ZINC001511779142 1186634677 /nfs/dbraw/zinc/63/46/77/1186634677.db2.gz MJFNSALQJNEUKQ-HNNXBMFYSA-N 0 0 312.417 3.285 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)C3(CF)CCC3)C2)cc1 ZINC001514841833 1186732131 /nfs/dbraw/zinc/73/21/31/1186732131.db2.gz HEJFEYZXBNITKJ-CQSZACIVSA-N 0 0 321.392 3.205 20 10 DGCDRN CC1(C)C[C@H](C(=O)Nc2c3nonc3ccc2Cl)CCO1 ZINC001518062338 1186831030 /nfs/dbraw/zinc/83/10/30/1186831030.db2.gz SGPKOARAPOCXPV-MRVPVSSYSA-N 0 0 309.753 3.020 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)C3(C4CC4)CC3)C2)cc1 ZINC001518477571 1186842639 /nfs/dbraw/zinc/84/26/39/1186842639.db2.gz UCMPZPYNRSUFMD-CQSZACIVSA-N 0 0 315.413 3.255 20 10 DGCDRN CCOc1cc(N[C@H](C)Cc2ccc(N(C)C)cc2C)ncn1 ZINC001612500513 1193453174 /nfs/dbraw/zinc/45/31/74/1193453174.db2.gz JOTXYWKOTWUVMH-CQSZACIVSA-N 0 0 314.433 3.293 20 10 DGCDRN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCC[C@@H]1C ZINC001612537676 1193454219 /nfs/dbraw/zinc/45/42/19/1193454219.db2.gz JUUPNMWRBQMDJO-DZGCQCFKSA-N 0 0 314.433 3.365 20 10 DGCDRN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCC[C@@H]1C ZINC001612537679 1193454283 /nfs/dbraw/zinc/45/42/83/1193454283.db2.gz JUUPNMWRBQMDJO-ZFWWWQNUSA-N 0 0 314.433 3.365 20 10 DGCDRN CCc1ccc([C@H](C)CC(=O)NCc2cccc(O)c2O)cc1 ZINC001520509700 1186950103 /nfs/dbraw/zinc/95/01/03/1186950103.db2.gz UKUFDJHRULAOML-CYBMUJFWSA-N 0 0 313.397 3.470 20 10 DGCDRN Oc1ccc(O)c(CNc2cc(Cl)nc([C@@H]3CCCO3)n2)c1 ZINC001612844933 1193462540 /nfs/dbraw/zinc/46/25/40/1193462540.db2.gz RXEJORIKHUFNRA-LBPRGKRZSA-N 0 0 321.764 3.005 20 10 DGCDRN CCc1nc2sccc2c(NCc2cc(O)ccc2O)n1 ZINC001612844962 1193462565 /nfs/dbraw/zinc/46/25/65/1193462565.db2.gz UCHPGXZZSIZCKI-UHFFFAOYSA-N 0 0 301.371 3.277 20 10 DGCDRN Cc1ncc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)s1 ZINC001523554734 1187171394 /nfs/dbraw/zinc/17/13/94/1187171394.db2.gz YSGMPHXMRUVHPD-UHFFFAOYSA-N 0 0 315.442 3.324 20 10 DGCDRN CSC[C@@H](C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001525106277 1187296771 /nfs/dbraw/zinc/29/67/71/1187296771.db2.gz CWPBXIQVUYKYKP-CQSZACIVSA-N 0 0 306.475 3.244 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)C2(F)CCCCC2)cc1 ZINC001527594349 1187438343 /nfs/dbraw/zinc/43/83/43/1187438343.db2.gz AGWZMTZURWPHIV-UHFFFAOYSA-N 0 0 322.424 3.262 20 10 DGCDRN O=C(Nc1nc(-c2cccs2)ns1)C1=CC(=O)CS1 ZINC001528204888 1187474675 /nfs/dbraw/zinc/47/46/75/1187474675.db2.gz BSNYCGWBTOYHLN-UHFFFAOYSA-N 0 0 309.397 3.286 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)cc1F ZINC001528618996 1187502044 /nfs/dbraw/zinc/50/20/44/1187502044.db2.gz GZLDZWCSOGIKEE-QKDCVEJESA-N 0 0 304.409 3.334 20 10 DGCDRN C[C@H](CCCc1ccccc1)C(=O)NCc1cccc(O)c1O ZINC001528771167 1187511411 /nfs/dbraw/zinc/51/14/11/1187511411.db2.gz LSBWMRYQJIBDMF-CQSZACIVSA-N 0 0 313.397 3.373 20 10 DGCDRN O=c1cc(CSc2ncc(Cl)s2)nc2sccn21 ZINC001614767943 1193505690 /nfs/dbraw/zinc/50/56/90/1193505690.db2.gz DWMRJYVEPPCPFR-UHFFFAOYSA-N 0 0 315.832 3.158 20 10 DGCDRN CCCC[C@@H](C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001531375038 1187682838 /nfs/dbraw/zinc/68/28/38/1187682838.db2.gz PQPVDPKUOUFRLT-OAHLLOKOSA-N 0 0 306.450 3.416 20 10 DGCDRN CCC(C)(C)OCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001531694756 1187705283 /nfs/dbraw/zinc/70/52/83/1187705283.db2.gz UHMHFZNZLDHUJR-UHFFFAOYSA-N 0 0 318.461 3.450 20 10 DGCDRN Cn1cnc(/C=C/C(=O)N(CC(F)(F)F)c2ccccc2)c1 ZINC001537429828 1188074291 /nfs/dbraw/zinc/07/42/91/1188074291.db2.gz LHFQYJKJNPNXLW-BQYQJAHWSA-N 0 0 309.291 3.029 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001537803543 1188100812 /nfs/dbraw/zinc/10/08/12/1188100812.db2.gz SMRRKPWDOQJEJB-KRWDZBQOSA-N 0 0 318.461 3.273 20 10 DGCDRN Cc1cncc(/C=C\C(=O)N2CCOc3c(C)cc(C)cc32)c1 ZINC001538075644 1188117133 /nfs/dbraw/zinc/11/71/33/1188117133.db2.gz AQOQZBXQYXZWHI-PLNGDYQASA-N 0 0 308.381 3.446 20 10 DGCDRN CCn1cccc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001539474745 1188191854 /nfs/dbraw/zinc/19/18/54/1188191854.db2.gz PTEALAAUKNUEAF-UHFFFAOYSA-N 0 0 311.429 3.380 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)[C@@H]3CCC=CO3)cc2)CC1 ZINC001616694154 1193545392 /nfs/dbraw/zinc/54/53/92/1193545392.db2.gz FFPFGODRRCDPKY-SFHVURJKSA-N 0 0 314.429 3.232 20 10 DGCDRN CCC/C=C/[C@@H](O)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC001543251361 1188323919 /nfs/dbraw/zinc/32/39/19/1188323919.db2.gz LMUJXHWIVQEEEU-KBOKABMXSA-N 0 0 322.424 3.005 20 10 DGCDRN CCC/C=C\[C@@H](O)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC001543251362 1188324163 /nfs/dbraw/zinc/32/41/63/1188324163.db2.gz LMUJXHWIVQEEEU-XZVRFQMRSA-N 0 0 322.424 3.005 20 10 DGCDRN CCC(CC)c1nnc(NC(=O)Cc2ccc(O)c(O)c2)s1 ZINC001543494195 1188337160 /nfs/dbraw/zinc/33/71/60/1188337160.db2.gz ZSCOPZOXWNSPMH-UHFFFAOYSA-N 0 0 321.402 3.034 20 10 DGCDRN CC(C)N(Cc1cccc(F)c1)C(=O)Cc1ccc(O)c(O)c1 ZINC001543758568 1188361768 /nfs/dbraw/zinc/36/17/68/1188361768.db2.gz CWNHBGPUUPKGMC-UHFFFAOYSA-N 0 0 317.360 3.217 20 10 DGCDRN CN(Cc1ccccc1O)c1nnc(C(C)(C)C)n1C1CC1 ZINC001617937324 1193586511 /nfs/dbraw/zinc/58/65/11/1193586511.db2.gz JAVFLANZUJHLOT-UHFFFAOYSA-N 0 0 300.406 3.253 20 10 DGCDRN CN(C)c1cc(F)cc(NC(=O)N(C)Cc2ccccc2O)c1 ZINC001563031762 1188886387 /nfs/dbraw/zinc/88/63/87/1188886387.db2.gz JYVHNYBTNCWMEF-UHFFFAOYSA-N 0 0 317.364 3.261 20 10 DGCDRN COc1ccc(CNC(=O)c2ccsc2C(F)F)c(O)c1 ZINC001556354238 1188996551 /nfs/dbraw/zinc/99/65/51/1188996551.db2.gz CJTZEEQJCIRJEA-UHFFFAOYSA-N 0 0 313.325 3.330 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)c1onc2ccccc21 ZINC001557122323 1189042608 /nfs/dbraw/zinc/04/26/08/1189042608.db2.gz GTSHETDJGZVZDQ-UHFFFAOYSA-N 0 0 319.320 3.012 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1Cc2ccccc2S1 ZINC001557385891 1189061129 /nfs/dbraw/zinc/06/11/29/1189061129.db2.gz LVQBPRDYECVOND-HNNXBMFYSA-N 0 0 319.813 3.379 20 10 DGCDRN CSc1ccccc1CC(=O)NCc1cc(C)ccc1O ZINC001557552303 1189070925 /nfs/dbraw/zinc/07/09/25/1189070925.db2.gz BXXPGAZJVXFPBH-UHFFFAOYSA-N 0 0 301.411 3.281 20 10 DGCDRN C[C@H](NC(=O)c1c[nH]c(=O)c2ccccc12)c1ccccc1O ZINC001557967507 1189095977 /nfs/dbraw/zinc/09/59/77/1189095977.db2.gz FUBNMSSGVKGYDF-NSHDSACASA-N 0 0 308.337 3.137 20 10 DGCDRN O=C(CCc1nc2ccccc2o1)N1Cc2cccc(O)c2C1 ZINC001558036655 1189101026 /nfs/dbraw/zinc/10/10/26/1189101026.db2.gz WYKSYWUYLZHKLK-UHFFFAOYSA-N 0 0 308.337 3.008 20 10 DGCDRN CC(C)(C(=O)NCc1c(O)cccc1F)c1ccc(F)cc1F ZINC001558457912 1189126405 /nfs/dbraw/zinc/12/64/05/1189126405.db2.gz ZQMWVSCZIIPAIH-UHFFFAOYSA-N 0 0 323.314 3.404 20 10 DGCDRN O=C(NCc1c(O)cccc1F)C1(Sc2ccccc2)CC1 ZINC001558455764 1189126478 /nfs/dbraw/zinc/12/64/78/1189126478.db2.gz YBRSUANHVGQWGB-UHFFFAOYSA-N 0 0 317.385 3.472 20 10 DGCDRN COc1ccc2cc(C(=O)NCc3c(O)cccc3O)ccc2c1 ZINC001558534712 1189132292 /nfs/dbraw/zinc/13/22/92/1189132292.db2.gz XARPTNXPHGXWHD-UHFFFAOYSA-N 0 0 323.348 3.190 20 10 DGCDRN Cc1ccc(O)c(C(=O)NCc2c(O)ccc3ccccc32)c1 ZINC001558554277 1189132859 /nfs/dbraw/zinc/13/28/59/1189132859.db2.gz OGYNKRBGBXDCAD-UHFFFAOYSA-N 0 0 307.349 3.489 20 10 DGCDRN C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC001558672414 1189141034 /nfs/dbraw/zinc/14/10/34/1189141034.db2.gz PZNZMOWFYZLWIY-IMAIQDNJSA-N 0 0 301.317 3.128 20 10 DGCDRN Cc1ccc2n[nH]cc2c1C(=O)NCc1cccc(Cl)c1O ZINC001558757764 1189146346 /nfs/dbraw/zinc/14/63/46/1189146346.db2.gz RPMPKISRVMVCOB-UHFFFAOYSA-N 0 0 315.760 3.160 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1CC(=O)c2ccccc21 ZINC001558757520 1189146571 /nfs/dbraw/zinc/14/65/71/1189146571.db2.gz IBJARSYQLGTDRB-CYBMUJFWSA-N 0 0 315.756 3.032 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@H]1C[C@@H]1c1ccccc1 ZINC001558757367 1189146726 /nfs/dbraw/zinc/14/67/26/1189146726.db2.gz BJYVHMROCCXQHG-KGLIPLIRSA-N 0 0 301.773 3.466 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)c1ncc(Cl)cn1 ZINC001559060304 1189166809 /nfs/dbraw/zinc/16/68/09/1189166809.db2.gz HREQIVZLTVXBJP-UHFFFAOYSA-N 0 0 302.809 3.367 20 10 DGCDRN COc1ccc2[nH]cc(C3=CCN(c4nccnc4F)CC3)c2c1 ZINC001559074146 1189168561 /nfs/dbraw/zinc/16/85/61/1189168561.db2.gz GTJXAZHFIZGJOS-UHFFFAOYSA-N 0 0 324.359 3.399 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1ncccc1[N+](=O)[O-] ZINC001559214272 1189181739 /nfs/dbraw/zinc/18/17/39/1189181739.db2.gz GLMYTWIUBXWYED-CYBMUJFWSA-N 0 0 314.389 3.407 20 10 DGCDRN COc1cc2c(c(OC)c1)N(CCCCCCCO)CCC2 ZINC001559912030 1189255149 /nfs/dbraw/zinc/25/51/49/1189255149.db2.gz NMGNENKLDWKEJV-UHFFFAOYSA-N 0 0 307.434 3.399 20 10 DGCDRN CN(C)c1ccc(CNCc2cc3c(cc[nH]c3=O)o2)cc1F ZINC001560298335 1189307554 /nfs/dbraw/zinc/30/75/54/1189307554.db2.gz BWMYTUKYHWTLET-UHFFFAOYSA-N 0 0 315.348 3.028 20 10 DGCDRN CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1(C)C ZINC001560414938 1189325823 /nfs/dbraw/zinc/32/58/23/1189325823.db2.gz RIHJLHISCXWCMT-MCCGJVOXSA-N 0 0 301.789 3.334 20 10 DGCDRN COC(=O)CC[N@@H+](Cc1cc(Cl)c(C)cc1O)CC(C)C ZINC001560698210 1189361864 /nfs/dbraw/zinc/36/18/64/1189361864.db2.gz FLRDPDFNMNPFIB-UHFFFAOYSA-N 0 0 313.825 3.375 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1nc(-c2ccccc2)no1 ZINC001560739293 1189371214 /nfs/dbraw/zinc/37/12/14/1189371214.db2.gz GDMUTTKQCDVUHI-UHFFFAOYSA-N 0 0 315.760 3.385 20 10 DGCDRN Cc1cc(O)c(CN[C@@H](C)C(=O)OC2CCCC2)c(Cl)c1 ZINC001560772004 1189378982 /nfs/dbraw/zinc/37/89/82/1189378982.db2.gz LWNLKEAEVSODQL-NSHDSACASA-N 0 0 311.809 3.318 20 10 DGCDRN C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1c([O-])cccc1F ZINC001561015923 1189420263 /nfs/dbraw/zinc/42/02/63/1189420263.db2.gz KLWGIQCJMYMIQS-GFCCVEGCSA-N 0 0 317.360 3.371 20 10 DGCDRN Cc1csc(C[C@H]2CC[N@H+](Cc3cc(F)c(F)cc3[O-])C2)n1 ZINC001561020804 1189421530 /nfs/dbraw/zinc/42/15/30/1189421530.db2.gz RGHSKHIZKWABLN-LLVKDONJSA-N 0 0 324.396 3.500 20 10 DGCDRN O=C(NCc1ccc(Cl)s1)NCc1c(O)cccc1F ZINC001563628548 1189523807 /nfs/dbraw/zinc/52/38/07/1189523807.db2.gz XXKZEDZZUABZOF-UHFFFAOYSA-N 0 0 314.769 3.246 20 10 DGCDRN CCC1(CNC(=O)NCc2ccc3c(c2)CCCN3C)CCC1 ZINC001563792131 1189534561 /nfs/dbraw/zinc/53/45/61/1189534561.db2.gz MFCXAIHJJZPRAR-UHFFFAOYSA-N 0 0 315.461 3.449 20 10 DGCDRN COc1cccc(CNC(=O)/C=C(\C)c2ccccc2C)c1O ZINC001566373866 1189765802 /nfs/dbraw/zinc/76/58/02/1189765802.db2.gz JDEQTHLTQFNSJY-SDNWHVSQSA-N 0 0 311.381 3.429 20 10 DGCDRN Cc1cc(Cl)c(C(=O)NCc2ccccc2O)cc1[N+](=O)[O-] ZINC001566374192 1189765903 /nfs/dbraw/zinc/76/59/03/1189765903.db2.gz XYPKSPFJZQTJGW-UHFFFAOYSA-N 0 0 320.732 3.192 20 10 DGCDRN CC(C)(CNC(=O)Cc1ccc(O)c(O)c1)C1CCCCC1 ZINC001566472747 1189778258 /nfs/dbraw/zinc/77/82/58/1189778258.db2.gz PDRWVWBPZFWDKZ-UHFFFAOYSA-N 0 0 305.418 3.363 20 10 DGCDRN COc1ccc(CNC(=O)c2cc3c(cccc3C)o2)c(O)c1 ZINC001568098328 1190419336 /nfs/dbraw/zinc/41/93/36/1190419336.db2.gz WRXOZAOTINTBND-UHFFFAOYSA-N 0 0 311.337 3.385 20 10 DGCDRN COCc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001568309410 1190485630 /nfs/dbraw/zinc/48/56/30/1190485630.db2.gz NUKXLEPMNVODOP-UHFFFAOYSA-N 0 0 312.329 3.248 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)n1C ZINC001570417130 1190853905 /nfs/dbraw/zinc/85/39/05/1190853905.db2.gz UPQXMGMHCUPFFI-AWEZNQCLSA-N 0 0 313.445 3.069 20 10 DGCDRN Cc1ccc2c(CC(=O)NCc3ccc(O)cc3O)coc2c1 ZINC001570462426 1190863635 /nfs/dbraw/zinc/86/36/35/1190863635.db2.gz SQYKBUNSXBWEKB-UHFFFAOYSA-N 0 0 311.337 3.011 20 10 DGCDRN C[C@@H](NC(=O)[C@H]1CNc2ccccc21)c1ccc(N(C)C)cc1 ZINC001576189790 1191540274 /nfs/dbraw/zinc/54/02/74/1191540274.db2.gz VCILKPYTXFKCIR-DYVFJYSZSA-N 0 0 309.413 3.139 20 10 DGCDRN COc1ccc(NC(C)=O)cc1NCc1cc(F)cc(F)c1O ZINC001620737382 1193796845 /nfs/dbraw/zinc/79/68/45/1193796845.db2.gz KTMHYXCECULNTF-UHFFFAOYSA-N 0 0 322.311 3.250 20 10 DGCDRN O=c1[nH]cc(C[NH2+]Cc2cc(F)cc(F)c2[O-])c2ccccc12 ZINC001621074724 1193799159 /nfs/dbraw/zinc/79/91/59/1193799159.db2.gz HLOZHNOOPWETJI-UHFFFAOYSA-N 0 0 316.307 3.214 20 10 DGCDRN CC(C)n1ncc2c1[C@@H]([NH2+]Cc1cccc(F)c1[O-])CCC2 ZINC001621226768 1193819125 /nfs/dbraw/zinc/81/91/25/1193819125.db2.gz CKIBQHZPNUBMAG-HNNXBMFYSA-N 0 0 303.381 3.476 20 10 DGCDRN CCc1cccc(CNCc2nc(-c3ccccc3)no2)c1O ZINC001621234469 1193820469 /nfs/dbraw/zinc/82/04/69/1193820469.db2.gz UEYRIVFZLXNSDY-UHFFFAOYSA-N 0 0 309.369 3.294 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@H]1CCc2cc(O)ccc2C1 ZINC001621292303 1193827244 /nfs/dbraw/zinc/82/72/44/1193827244.db2.gz UXTQZJQPFXUWLO-ZDUSSCGKSA-N 0 0 305.324 3.023 20 10 DGCDRN Cc1cc(O)c(CN2C[C@@H](O)Cc3ccccc32)cc1Cl ZINC001621294725 1193827672 /nfs/dbraw/zinc/82/76/72/1193827672.db2.gz NQQNDUICGBVKIZ-AWEZNQCLSA-N 0 0 303.789 3.278 20 10 DGCDRN Cc1cc(O)c(CN2C[C@H](O)Cc3ccccc32)cc1Cl ZINC001621294726 1193827817 /nfs/dbraw/zinc/82/78/17/1193827817.db2.gz NQQNDUICGBVKIZ-CQSZACIVSA-N 0 0 303.789 3.278 20 10 DGCDRN COc1ccc2c(c1)CCCCN2Cc1cnc2c(cnn2C)c1 ZINC001621369257 1193834358 /nfs/dbraw/zinc/83/43/58/1193834358.db2.gz ICDADAGPCJEPHJ-UHFFFAOYSA-N 0 0 322.412 3.320 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC001622312478 1193894457 /nfs/dbraw/zinc/89/44/57/1193894457.db2.gz MQLLIBXNCLDLPH-UHFFFAOYSA-N 0 0 307.353 3.055 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)/C(C)=C/c2ccncc2)c1 ZINC001622780008 1193911992 /nfs/dbraw/zinc/91/19/92/1193911992.db2.gz ZWIJMANADWQYIQ-XSNHNAGMSA-N 0 0 312.369 3.077 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2c(F)cc(C)cc2F)c1 ZINC001622778893 1193912042 /nfs/dbraw/zinc/91/20/42/1193912042.db2.gz AKHDHTUXLRWGKY-SNVBAGLBSA-N 0 0 321.323 3.478 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C(C)(C)c2cccc(O)c2)cc1 ZINC001623316475 1193927277 /nfs/dbraw/zinc/92/72/77/1193927277.db2.gz VLEFJTRLQFJJMT-UHFFFAOYSA-N 0 0 312.413 3.052 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1c[nH]c(C2CC2)n1 ZINC001623550270 1193938221 /nfs/dbraw/zinc/93/82/21/1193938221.db2.gz VXJSNPAPFAFLPE-UHFFFAOYSA-N 0 0 324.428 3.160 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c(C)oc(C)c1C ZINC001623573432 1193939310 /nfs/dbraw/zinc/93/93/10/1193939310.db2.gz ATUBLCBGLQHTBS-UHFFFAOYSA-N 0 0 308.374 3.326 20 10 DGCDRN C[C@]1(NC(=O)Cc2ccc(O)c(O)c2)CCCc2ccccc21 ZINC001623761596 1193962123 /nfs/dbraw/zinc/96/21/23/1193962123.db2.gz CINYZIHCVABHGL-IBGZPJMESA-N 0 0 311.381 3.008 20 10 DGCDRN CCc1cc(O)ccc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001625121769 1194033766 /nfs/dbraw/zinc/03/37/66/1194033766.db2.gz GYPMEXGDJPWTHG-UHFFFAOYSA-N 0 0 312.329 3.369 20 10 DGCDRN O=C(NCc1c(O)cccc1F)Nc1cc2c(cn1)CCCC2 ZINC001625209214 1194038076 /nfs/dbraw/zinc/03/80/76/1194038076.db2.gz ZPXJSXYCXVEUPC-UHFFFAOYSA-N 0 0 315.348 3.127 20 10 DGCDRN C/C(Cl)=C\C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001625656375 1194062932 /nfs/dbraw/zinc/06/29/32/1194062932.db2.gz ADXKFMFYZRFZBK-ZHACJKMWSA-N 0 0 312.760 3.477 20 10 DGCDRN CCCC[C@H](O)CCC(=O)NCc1ccc2c(c1)CCCN2C ZINC001626940866 1194103404 /nfs/dbraw/zinc/10/34/04/1194103404.db2.gz OOZHANBBEMYYBR-KRWDZBQOSA-N 0 0 318.461 3.017 20 10 DGCDRN CC(C)N(Cc1ccccc1F)C(=O)Cc1ccc(O)c(O)c1 ZINC001627058073 1194109702 /nfs/dbraw/zinc/10/97/02/1194109702.db2.gz GFLYTVBCGMXRHM-UHFFFAOYSA-N 0 0 317.360 3.217 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccc(OCC(C)C)nc2)c(O)c1O ZINC001627748766 1194142284 /nfs/dbraw/zinc/14/22/84/1194142284.db2.gz GKMHRIOBRGJWKF-UHFFFAOYSA-N 0 0 316.357 3.088 20 10 DGCDRN CCN(CC(C)=O)C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001628382916 1194175537 /nfs/dbraw/zinc/17/55/37/1194175537.db2.gz WQAMAVJPMCOQKX-UHFFFAOYSA-N 0 0 312.413 3.074 20 10 DGCDRN Cc1cc(F)cc(C(=O)NCc2cc(Cl)ccc2O)c1N ZINC001628681531 1194192048 /nfs/dbraw/zinc/19/20/48/1194192048.db2.gz WCBVBTVYWYQIRK-UHFFFAOYSA-N 0 0 308.740 3.005 20 10 DGCDRN COCCC1(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CC1 ZINC001628950778 1194205130 /nfs/dbraw/zinc/20/51/30/1194205130.db2.gz KVYPTQHJVXMKTF-UHFFFAOYSA-N 0 0 316.445 3.062 20 10 DGCDRN CC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(F)cc1F ZINC001629497364 1194237922 /nfs/dbraw/zinc/23/79/22/1194237922.db2.gz XBSZGSFIPYCREB-CQSZACIVSA-N 0 0 321.323 3.186 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cncc2[nH]ccc21 ZINC001629959601 1194261954 /nfs/dbraw/zinc/26/19/54/1194261954.db2.gz HFXIAGORLFUIFR-UHFFFAOYSA-N 0 0 309.369 3.321 20 10 DGCDRN CCn1c(C(=O)NCc2ccc(O)cc2O)cc2ccccc21 ZINC001630301881 1194279317 /nfs/dbraw/zinc/27/93/17/1194279317.db2.gz LGKTVDPUXKJYFA-UHFFFAOYSA-N 0 0 310.353 3.002 20 10 DGCDRN O=C(CCCc1cc(F)ccc1F)NCc1ccc(O)cc1O ZINC001630301510 1194279430 /nfs/dbraw/zinc/27/94/30/1194279430.db2.gz CXTJSWQJLWFWKB-UHFFFAOYSA-N 0 0 321.323 3.015 20 10 DGCDRN C[C@H](CC(=O)NCc1ccc(O)cc1O)c1ccc(F)cc1F ZINC001630301916 1194279480 /nfs/dbraw/zinc/27/94/80/1194279480.db2.gz NCGGPACTXUUYEJ-SNVBAGLBSA-N 0 0 321.323 3.186 20 10 DGCDRN Nc1c(Cl)cc(Cl)cc1C(=O)NCc1ccccc1O ZINC001630363284 1194282817 /nfs/dbraw/zinc/28/28/17/1194282817.db2.gz MFWOZMJSJQMQEO-UHFFFAOYSA-N 0 0 311.168 3.211 20 10 DGCDRN C[C@@H](CC(=O)NCc1ccc2cccnc2c1O)c1ccco1 ZINC001630532707 1194290396 /nfs/dbraw/zinc/29/03/96/1194290396.db2.gz OTURNVWZBMXMJF-LBPRGKRZSA-N 0 0 310.353 3.343 20 10 DGCDRN CCC/C=C/[C@@H](O)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001630698222 1194297990 /nfs/dbraw/zinc/29/79/90/1194297990.db2.gz OUWQAFFDEDORRW-KRZKXXONSA-N 0 0 316.445 3.010 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ccc(-c2ccccn2)nc1 ZINC001631151755 1194322178 /nfs/dbraw/zinc/32/21/78/1194322178.db2.gz UBWNVKOCOZLWAX-UHFFFAOYSA-N 0 0 319.364 3.121 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3cnccc3c2)c1 ZINC001631541848 1194341009 /nfs/dbraw/zinc/34/10/09/1194341009.db2.gz BEOBWJLVQOASIL-GFCCVEGCSA-N 0 0 322.364 3.440 20 10 DGCDRN CCn1cc(C(=O)NCc2cc(Cl)ccc2O)c(C(C)C)n1 ZINC001632224222 1194377689 /nfs/dbraw/zinc/37/76/89/1194377689.db2.gz XCJOZGDRZCEEIV-UHFFFAOYSA-N 0 0 321.808 3.315 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@H](C)CSC(F)(F)F)c1 ZINC001633281948 1194429964 /nfs/dbraw/zinc/42/99/64/1194429964.db2.gz AGVFLUSDBWGHHU-SECBINFHSA-N 0 0 307.337 3.206 20 10 DGCDRN C[C@@H](C(=O)NCc1cc(O)ccc1O)c1ccc(Cl)cc1 ZINC001633598895 1194444822 /nfs/dbraw/zinc/44/48/22/1194444822.db2.gz GONGDVYWJXMXNW-SNVBAGLBSA-N 0 0 305.761 3.171 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1cscc1C(F)(F)F ZINC001633598792 1194445172 /nfs/dbraw/zinc/44/51/72/1194445172.db2.gz AQTFWYBCDJJAAO-UHFFFAOYSA-N 0 0 317.288 3.108 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)C[C@H]1CCCC[C@@H]1O ZINC001634011951 1194469630 /nfs/dbraw/zinc/46/96/30/1194469630.db2.gz AADWCWBVURDIGT-WBVHZDCISA-N 0 0 319.445 3.462 20 10 DGCDRN O=C(NCC1(c2cccc(F)c2)CCC1)c1cccc(O)c1O ZINC001634123333 1194474830 /nfs/dbraw/zinc/47/48/30/1194474830.db2.gz VJUOZZCHVFIAFZ-UHFFFAOYSA-N 0 0 315.344 3.089 20 10 DGCDRN CCCC[C@@](C)(F)C(=O)C(=O)CC(C)(C)CC(=O)OCC ZINC001634943579 1194524437 /nfs/dbraw/zinc/52/44/37/1194524437.db2.gz ALJAGYZMALLZRQ-MRXNPFEDSA-N 0 0 302.386 3.413 20 10 DGCDRN CC(C)c1nc([C@H]2CCCCN2C(=O)C2=CC(=O)CS2)no1 ZINC001634995593 1194527086 /nfs/dbraw/zinc/52/70/86/1194527086.db2.gz ZJFVMHAMYYGQMG-LLVKDONJSA-N 0 0 321.402 3.328 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ncccc1-c1ccccn1 ZINC001635658432 1194565246 /nfs/dbraw/zinc/56/52/46/1194565246.db2.gz VRANBCPRFKILDY-UHFFFAOYSA-N 0 0 319.364 3.121 20 10 DGCDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)c1ccccc1O ZINC001635793667 1194572379 /nfs/dbraw/zinc/57/23/79/1194572379.db2.gz BZDWAASOYMJOSU-LLVKDONJSA-N 0 0 300.314 3.100 20 10 DGCDRN C[C@H](NC(=O)c1cnn(Cc2ccccc2)c1)c1ccccc1O ZINC001635799203 1194572516 /nfs/dbraw/zinc/57/25/16/1194572516.db2.gz UDYFYAJBBOESTR-AWEZNQCLSA-N 0 0 321.380 3.128 20 10 DGCDRN C[C@@H](NC(=O)[C@@](C)(O)c1ccc(Cl)cc1)c1ccccc1O ZINC001635799055 1194572603 /nfs/dbraw/zinc/57/26/03/1194572603.db2.gz NKJWRWMQLCSDTP-DIFFPNOSSA-N 0 0 319.788 3.131 20 10 DGCDRN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)c1ccccc1O ZINC001635804007 1194573271 /nfs/dbraw/zinc/57/32/71/1194573271.db2.gz MZKPDVKCOYNLMF-LBPRGKRZSA-N 0 0 314.341 3.408 20 10 DGCDRN O=C(NCc1c(O)cccc1O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC001635846999 1194576059 /nfs/dbraw/zinc/57/60/59/1194576059.db2.gz GBUHZLFFCPRRIY-MELADBBJSA-N 0 0 303.402 3.321 20 10 DGCDRN COc1nccc2cc(NC(=O)C3=CC(=O)CS3)ccc21 ZINC001635962720 1194581934 /nfs/dbraw/zinc/58/19/34/1194581934.db2.gz AEZXFDVMPOUDRU-UHFFFAOYSA-N 0 0 300.339 3.263 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@H]1C=CCC1 ZINC001636267981 1194602878 /nfs/dbraw/zinc/60/28/78/1194602878.db2.gz XBQVIHXAPLDFIF-CVEARBPZSA-N 0 0 315.461 3.257 20 10 DGCDRN O=C(CC[C@@H]1CCc2ccccc21)NCc1cc(O)ccc1O ZINC001637130034 1194651541 /nfs/dbraw/zinc/65/15/41/1194651541.db2.gz VKNBCFKZCMEALG-AWEZNQCLSA-N 0 0 311.381 3.224 20 10 DGCDRN CC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccn1 ZINC001637446848 1194670508 /nfs/dbraw/zinc/67/05/08/1194670508.db2.gz RRKZBWUJKKLJCP-ZDUSSCGKSA-N 0 0 311.345 3.125 20 10 DGCDRN C/C(=C\c1ccc(Cl)cc1)C(=O)NCc1ccc(O)cc1O ZINC001638352686 1194713482 /nfs/dbraw/zinc/71/34/82/1194713482.db2.gz UIVROYUEWPPTRF-DHZHZOJOSA-N 0 0 317.772 3.471 20 10 DGCDRN Cc1cc(C(=O)NCc2c(O)cccc2F)c(C)n1CC1CC1 ZINC001638863687 1194741391 /nfs/dbraw/zinc/74/13/91/1194741391.db2.gz QALPGNWCYPGGDI-UHFFFAOYSA-N 0 0 316.376 3.290 20 10 DGCDRN Cc1ccc2ncc(C(=O)N[C@H](C)c3ccccc3O)c(O)c2c1 ZINC001638996274 1194746165 /nfs/dbraw/zinc/74/61/65/1194746165.db2.gz PQPCQCIKKGKQOB-GFCCVEGCSA-N 0 0 322.364 3.033 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(-c2ccon2)c1 ZINC001639183214 1194754783 /nfs/dbraw/zinc/75/47/83/1194754783.db2.gz KWJPLXQEVVXKSA-ALCCZGGFSA-N 0 0 322.320 3.405 20 10 DGCDRN Cc1cc(CCCC(=O)NCc2c(O)cccc2O)c(C)s1 ZINC001639289140 1194759082 /nfs/dbraw/zinc/75/90/82/1194759082.db2.gz LKADSDSZYTWHOP-UHFFFAOYSA-N 0 0 319.426 3.415 20 10 DGCDRN Cc1[nH]c2ccc(C(=O)NCc3c(O)cccc3O)cc2c1C ZINC001639289485 1194759140 /nfs/dbraw/zinc/75/91/40/1194759140.db2.gz RHZGXVBKXGPJKI-UHFFFAOYSA-N 0 0 310.353 3.126 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1cc(C(F)F)ccc1F ZINC001639444331 1194766816 /nfs/dbraw/zinc/76/68/16/1194766816.db2.gz HMSOEFPPNYQRIM-UHFFFAOYSA-N 0 0 311.259 3.105 20 10 DGCDRN O=C(/C=C/c1cccc(F)c1)NCc1ccc2cccnc2c1O ZINC001639624686 1194774094 /nfs/dbraw/zinc/77/40/94/1194774094.db2.gz GBJVCPSENADIEQ-RMKNXTFCSA-N 0 0 322.339 3.409 20 10 DGCDRN Cc1cccc(O[C@H](C)C(=O)NCc2cccc(Cl)c2O)c1 ZINC001640402295 1194811251 /nfs/dbraw/zinc/81/12/51/1194811251.db2.gz OVJNODMZACFTEW-GFCCVEGCSA-N 0 0 319.788 3.438 20 10 DGCDRN Cc1ccc(F)c(N)c1C(=O)NCc1cc(Cl)ccc1O ZINC001640924917 1194832941 /nfs/dbraw/zinc/83/29/41/1194832941.db2.gz WOHCZPSAGOXXJI-UHFFFAOYSA-N 0 0 308.740 3.005 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1c[nH]nc1C1CC1 ZINC001641071144 1194838168 /nfs/dbraw/zinc/83/81/68/1194838168.db2.gz FZLFGNJYJQREOJ-UHFFFAOYSA-N 0 0 324.428 3.160 20 10 DGCDRN COC(=O)c1cc(OCCCC2CCOCC2)ccc1N(C)C ZINC001641365335 1194850276 /nfs/dbraw/zinc/85/02/76/1194850276.db2.gz JJNKFSCMLUUWDR-UHFFFAOYSA-N 0 0 321.417 3.125 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccccc2OC(F)F)c1 ZINC001641729399 1194869044 /nfs/dbraw/zinc/86/90/44/1194869044.db2.gz PTVXZZLNJMRGQX-UHFFFAOYSA-N 0 0 307.296 3.232 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2F)c(C)n1-c1ccccn1 ZINC001642168845 1194891855 /nfs/dbraw/zinc/89/18/55/1194891855.db2.gz NDWUAXOEOKNNDT-JKSUJKDBSA-N 0 0 315.392 3.500 20 10 DGCDRN C[C@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC001642827364 1194943335 /nfs/dbraw/zinc/94/33/35/1194943335.db2.gz FTWMDBNKNDNUTF-KGTBHZDVSA-N 0 0 312.325 3.191 20 10 DGCDRN C[C@@H](NC(=O)[C@H](C)CSC(F)(F)F)c1ccccc1O ZINC001642828073 1194944403 /nfs/dbraw/zinc/94/44/03/1194944403.db2.gz YMQYZCARUMJFON-RKDXNWHRSA-N 0 0 307.337 3.459 20 10 DGCDRN O=C(c1cc(O)c2ccccc2c1)N1Cc2cccc(O)c2C1 ZINC001643173332 1195000442 /nfs/dbraw/zinc/00/04/42/1195000442.db2.gz DNVAZUWDSKWAMA-UHFFFAOYSA-N 0 0 305.333 3.407 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)c1coc(C(F)F)c1 ZINC001643285280 1195011814 /nfs/dbraw/zinc/01/18/14/1195011814.db2.gz VUFBLZZKDSVRKX-UHFFFAOYSA-N 0 0 318.279 3.401 20 10 DGCDRN C[C@@H](NC(=O)c1ncsc1C(F)(F)F)c1ccccc1O ZINC001643738652 1195050736 /nfs/dbraw/zinc/05/07/36/1195050736.db2.gz KWOSKMWCEOLOCK-SSDOTTSWSA-N 0 0 316.304 3.359 20 10 DGCDRN CC(C)(CCC(=O)NCc1cc(O)ccc1O)c1ccccc1 ZINC001643881710 1195060435 /nfs/dbraw/zinc/06/04/35/1195060435.db2.gz BVAKQULWXZZBMV-UHFFFAOYSA-N 0 0 313.397 3.472 20 10 DGCDRN COC(=O)c1cnc(SCc2cn3cc(C)ccc3n2)s1 ZINC001643951704 1195066773 /nfs/dbraw/zinc/06/67/73/1195066773.db2.gz DSUGVXFLACNAQS-UHFFFAOYSA-N 0 0 319.411 3.178 20 10 DGCDRN COc1cccc(C(F)F)c1C(=O)N1Cc2cccc(O)c2C1 ZINC001644088177 1195080545 /nfs/dbraw/zinc/08/05/45/1195080545.db2.gz IPRSUQWWFLABEY-UHFFFAOYSA-N 0 0 319.307 3.494 20 10 DGCDRN COC(=O)c1cc(OC[C@@H]2CCC(C)(C)CO2)ccc1N(C)C ZINC001644179038 1195087017 /nfs/dbraw/zinc/08/70/17/1195087017.db2.gz MAKNHFQTCNWVBD-AWEZNQCLSA-N 0 0 321.417 3.123 20 10 DGCDRN CC(C)n1cc(Cl)c(NC(=O)/C=C/c2ccc(O)c(O)c2)n1 ZINC001644942760 1195144284 /nfs/dbraw/zinc/14/42/84/1195144284.db2.gz JAZHBGMOKPGMRZ-GQCTYLIASA-N 0 0 321.764 3.181 20 10 DGCDRN COC(=O)COc1ccc(N(C)Cc2ccc(C)cc2C)cc1 ZINC001645254145 1195169775 /nfs/dbraw/zinc/16/97/75/1195169775.db2.gz FWNGGCXXEBRBBM-UHFFFAOYSA-N 0 0 313.397 3.492 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1ccc(Cl)[nH]1 ZINC001645442871 1195184508 /nfs/dbraw/zinc/18/45/08/1195184508.db2.gz BYASIJUKBIRIPI-UHFFFAOYSA-N 0 0 300.745 3.457 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccc3c(c2)OC(C)(C)C3)c1 ZINC001645804969 1195201866 /nfs/dbraw/zinc/20/18/66/1195201866.db2.gz OFFACUWMLPLGAD-UHFFFAOYSA-N 0 0 311.381 3.344 20 10 DGCDRN CS[C@@H](C(=O)NCc1c(O)cccc1F)c1ccccc1 ZINC001646034495 1195211197 /nfs/dbraw/zinc/21/11/97/1195211197.db2.gz KAWCOGDGTXVWCL-OAHLLOKOSA-N 0 0 305.374 3.252 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cc(F)c2ncccc2c1 ZINC001646034499 1195211696 /nfs/dbraw/zinc/21/16/96/1195211696.db2.gz KECZIQZQYIPHCK-UHFFFAOYSA-N 0 0 314.291 3.149 20 10 DGCDRN O=C(CCOc1ccc(Cl)cc1)NCc1c(O)cccc1F ZINC001646028662 1195211776 /nfs/dbraw/zinc/21/17/76/1195211776.db2.gz KMBGNHINLSFRIY-UHFFFAOYSA-N 0 0 323.751 3.270 20 10 DGCDRN O=C(/C=C/c1ccc2ccccc2n1)NCc1c(O)cccc1F ZINC001646029238 1195211853 /nfs/dbraw/zinc/21/18/53/1195211853.db2.gz SNEMGBPANIKXBM-ZHACJKMWSA-N 0 0 322.339 3.409 20 10 DGCDRN COC(=O)c1cc(CN(CC(C)C)c2ccc(OC)cc2)on1 ZINC001646258333 1195218943 /nfs/dbraw/zinc/21/89/43/1195218943.db2.gz CPANEGDYWFVMMM-UHFFFAOYSA-N 0 0 318.373 3.132 20 10 DGCDRN CCCCOc1ccc(C(=O)NCc2c(O)cccc2O)cc1 ZINC001647178322 1195246813 /nfs/dbraw/zinc/24/68/13/1195246813.db2.gz ODCXJWVDTXZBLT-UHFFFAOYSA-N 0 0 315.369 3.207 20 10 DGCDRN O=C(CSc1ccc(Cl)cc1)NCc1c(O)cccc1O ZINC001647177552 1195246838 /nfs/dbraw/zinc/24/68/38/1195246838.db2.gz DQQIUGBNOCDOBX-UHFFFAOYSA-N 0 0 323.801 3.160 20 10 DGCDRN CC(C)Cn1ccc(C(=O)NCc2c(O)ccc3ccccc32)n1 ZINC001647794905 1195253634 /nfs/dbraw/zinc/25/36/34/1195253634.db2.gz SSQAFCMTTDKQQP-UHFFFAOYSA-N 0 0 323.396 3.328 20 10 DGCDRN Cc1cc(C(=O)Nc2n[nH]nc2C)c(C)n1-c1ccccc1C ZINC001647864853 1195261420 /nfs/dbraw/zinc/26/14/20/1195261420.db2.gz BBKXWOXICALZCJ-UHFFFAOYSA-N 0 0 309.373 3.081 20 10 DGCDRN Cc1scc(CNC(=O)/C=C\c2ccc(O)c(O)c2)c1C ZINC001648596607 1195312209 /nfs/dbraw/zinc/31/22/09/1195312209.db2.gz FQFYLRLKNGWSJS-XQRVVYSFSA-N 0 0 303.383 3.106 20 10 DGCDRN CC(C)Oc1cc(C(=O)NCc2cccc(Cl)c2O)ccn1 ZINC001648606390 1195313178 /nfs/dbraw/zinc/31/31/78/1195313178.db2.gz PYWKZVRCESIRHL-UHFFFAOYSA-N 0 0 320.776 3.158 20 10 DGCDRN Cc1cc(CNC(=O)c2cc(N)ccn2)c(C)n1-c1ccccc1 ZINC001648611736 1195314393 /nfs/dbraw/zinc/31/43/93/1195314393.db2.gz NQRCMGZHZCJFRM-UHFFFAOYSA-N 0 0 320.396 3.001 20 10 DGCDRN COc1ccc(CN[C@@H](CO)c2cc(F)ccc2F)cc1C ZINC001648617862 1195315452 /nfs/dbraw/zinc/31/54/52/1195315452.db2.gz XVUNGGPOYNQUDJ-INIZCTEOSA-N 0 0 307.340 3.105 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H](C)c2cc3cnccc3o2)c(O)c1O ZINC001650822164 1195386238 /nfs/dbraw/zinc/38/62/38/1195386238.db2.gz FJXBTBRHNRHTKE-JTQLQIEISA-N 0 0 312.325 3.038 20 10 DGCDRN CCNC(=O)c1ccc(NCc2cc(F)cc(F)c2O)c(C)c1 ZINC001651123159 1195416535 /nfs/dbraw/zinc/41/65/35/1195416535.db2.gz YRRBTEABDHXFKI-UHFFFAOYSA-N 0 0 320.339 3.341 20 10 DGCDRN CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1(C)C ZINC001651205239 1195426190 /nfs/dbraw/zinc/42/61/90/1195426190.db2.gz MWEKMDYWJQGYDW-LSDHHAIUSA-N 0 0 322.405 3.372 20 10 DGCDRN C[C@@H](CN1CCC(C)CC1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001651326125 1195444227 /nfs/dbraw/zinc/44/42/27/1195444227.db2.gz XIPFGZJFJFJFIE-LBPRGKRZSA-N 0 0 314.832 3.395 20 10 DGCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@@H]2C)CCCC1 ZINC001651428633 1195460608 /nfs/dbraw/zinc/46/06/08/1195460608.db2.gz FNYGPDDJLLOXEX-ZDUSSCGKSA-N 0 0 312.413 3.150 20 10 DGCDRN COC(=O)c1cc(OCc2ccc(Cl)nc2)ccc1N(C)C ZINC001652165165 1195556362 /nfs/dbraw/zinc/55/63/62/1195556362.db2.gz LFCAQVPSOVSENG-UHFFFAOYSA-N 0 0 320.776 3.167 20 10 DGCDRN CCc1nc2sccc2c(NCc2c(O)cccc2O)n1 ZINC001652266796 1195573586 /nfs/dbraw/zinc/57/35/86/1195573586.db2.gz AZFGSDDIFTVTKX-UHFFFAOYSA-N 0 0 301.371 3.277 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC001652298745 1195578088 /nfs/dbraw/zinc/57/80/88/1195578088.db2.gz PSWUIFBTXYEJHX-UWVGGRQHSA-N 0 0 321.298 3.229 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC001652298744 1195578680 /nfs/dbraw/zinc/57/86/80/1195578680.db2.gz PSWUIFBTXYEJHX-NXEZZACHSA-N 0 0 321.298 3.229 20 10 DGCDRN CCOC(=O)CCCCCN(C)c1ccc(OC)c(OC)c1 ZINC001652395220 1195592736 /nfs/dbraw/zinc/59/27/36/1195592736.db2.gz PZMWZZJISHNCDC-UHFFFAOYSA-N 0 0 309.406 3.264 20 10 DGCDRN CN1c2ccccc2N(Cc2ccc(Cl)cc2O)CCC1=O ZINC001652586028 1195621853 /nfs/dbraw/zinc/62/18/53/1195621853.db2.gz QCWRQLZWISSEND-UHFFFAOYSA-N 0 0 316.788 3.419 20 10 DGCDRN CC(C)n1ccnc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001652709026 1195639547 /nfs/dbraw/zinc/63/95/47/1195639547.db2.gz SKEJOHDPIYDLNH-UHFFFAOYSA-N 0 0 309.369 3.253 20 10 DGCDRN Cc1cccc(C(=O)C(=O)NCc2c(O)ccc3ccccc32)c1 ZINC001652709301 1195639912 /nfs/dbraw/zinc/63/99/12/1195639912.db2.gz ZAUYATKOWODJBJ-UHFFFAOYSA-N 0 0 319.360 3.353 20 10 DGCDRN C[C@@H](NCc1cccc(Cl)c1[O-])C(=O)OCc1ccccc1 ZINC001652741863 1195643855 /nfs/dbraw/zinc/64/38/55/1195643855.db2.gz ACGOASBXDMKTBC-GFCCVEGCSA-N 0 0 319.788 3.267 20 10 DGCDRN COC(=O)c1cnc(SCc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC001652853327 1195660814 /nfs/dbraw/zinc/66/08/14/1195660814.db2.gz HIPZUDCKNZZUTP-UHFFFAOYSA-N 0 0 324.383 3.439 20 10 DGCDRN COc1ccc(C)cc1CC(=O)NCc1cccc(Cl)c1O ZINC001653563614 1195734704 /nfs/dbraw/zinc/73/47/04/1195734704.db2.gz FUPZUXMBJZPVRB-UHFFFAOYSA-N 0 0 319.788 3.222 20 10 DGCDRN C[C@@H]1Cc2cc(Cl)ccc2N1C(=O)c1cccc(O)c1O ZINC001653937118 1195761555 /nfs/dbraw/zinc/76/15/55/1195761555.db2.gz SLRMMXTXAVPHTP-SECBINFHSA-N 0 0 303.745 3.343 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C[C@H]1CCC2(CCC2)CO1 ZINC001654011193 1195767393 /nfs/dbraw/zinc/76/73/93/1195767393.db2.gz KGCLIUBCOAKIDU-MRXNPFEDSA-N 0 0 316.445 3.301 20 10 DGCDRN CCCCOC(=O)[C@@H](C)N1CCCc2cc(OC)cc(OC)c21 ZINC001654741696 1195834923 /nfs/dbraw/zinc/83/49/23/1195834923.db2.gz MWKQJLLUOZHJNY-CYBMUJFWSA-N 0 0 321.417 3.188 20 10 DGCDRN CCCc1ccc(S(=O)(=O)Nc2ccc(O)c(F)c2)cc1 ZINC000070330016 1195862359 /nfs/dbraw/zinc/86/23/59/1195862359.db2.gz NYCVFVKBAYQJGE-UHFFFAOYSA-N 0 0 309.362 3.285 20 10 DGCDRN Cn1cc(Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)cn1 ZINC001655004108 1195863596 /nfs/dbraw/zinc/86/35/96/1195863596.db2.gz AYTQQUCWDBFRFO-UHFFFAOYSA-N 0 0 322.324 3.303 20 10 DGCDRN COc1ccc(O)c([C@@H](C)Nc2ncc([N+](=O)[O-])cc2F)c1 ZINC001655107259 1195877347 /nfs/dbraw/zinc/87/73/47/1195877347.db2.gz OVCCESGOOOPATC-MRVPVSSYSA-N 0 0 307.281 3.016 20 10 DGCDRN CN(c1ccc(CNCc2ccn(C)n2)cc1)C1CCCCC1 ZINC001655454108 1195919903 /nfs/dbraw/zinc/91/99/03/1195919903.db2.gz HSRKNBLPAZDBJP-UHFFFAOYSA-N 0 0 312.461 3.479 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+]Cc2cccc(O)c2)c1 ZINC001655510369 1195926089 /nfs/dbraw/zinc/92/60/89/1195926089.db2.gz CJIKUTNEQWKQJW-UHFFFAOYSA-N 0 0 322.202 3.459 20 10 DGCDRN CCO[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C12CCCC2 ZINC001655737095 1195957965 /nfs/dbraw/zinc/95/79/65/1195957965.db2.gz ADJFTCYOPKCLNC-CABCVRRESA-N 0 0 311.372 3.498 20 10 DGCDRN CN(C)c1nc2cc(NCc3cc(F)cc(F)c3O)ccc2o1 ZINC001655822668 1195966474 /nfs/dbraw/zinc/96/64/74/1195966474.db2.gz OTTAUMNYCXRQCI-UHFFFAOYSA-N 0 0 319.311 3.490 20 10 DGCDRN COCc1nc(CNCc2c(C)c3ccccc3n2C)cs1 ZINC001656341388 1196031239 /nfs/dbraw/zinc/03/12/39/1196031239.db2.gz UTEIWHZXQFFFOX-UHFFFAOYSA-N 0 0 315.442 3.379 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCOCC1CCCC1 ZINC001656370910 1196033135 /nfs/dbraw/zinc/03/31/35/1196033135.db2.gz ISHIUSZXQNKCLR-UHFFFAOYSA-N 0 0 301.789 3.481 20 10 DGCDRN Cc1cc(NC/C=C\c2ccc(N(C)C)cc2)ccc1C(N)=O ZINC001656868436 1196076554 /nfs/dbraw/zinc/07/65/54/1196076554.db2.gz GDMOQGVSOIUKEO-PLNGDYQASA-N 0 0 309.413 3.285 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNc1ccnn1C[C@@H]1CCOC1 ZINC001657076860 1196101665 /nfs/dbraw/zinc/10/16/65/1196101665.db2.gz OMTRAAKTFLIOQN-HNNXBMFYSA-N 0 0 324.428 3.332 20 10 DGCDRN Cc1cc(NCc2cc(Cl)cc(F)c2O)cc(C(N)=O)c1 ZINC001657404301 1196138060 /nfs/dbraw/zinc/13/80/60/1196138060.db2.gz FNQNCUZECHHBGW-UHFFFAOYSA-N 0 0 308.740 3.204 20 10 DGCDRN CN(Cc1ccncc1Br)c1ccc2c(c1)OCO2 ZINC001657830387 1196182096 /nfs/dbraw/zinc/18/20/96/1196182096.db2.gz QZYCWIQWGJBWBT-UHFFFAOYSA-N 0 0 321.174 3.209 20 10 DGCDRN COC(=O)c1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])cc1C ZINC001658140392 1196216221 /nfs/dbraw/zinc/21/62/21/1196216221.db2.gz BLGWFYMKXOOWAJ-UHFFFAOYSA-N 0 0 319.788 3.430 20 10 DGCDRN COC(=O)c1cncc(CN(C)c2ccc(OC(C)C)cc2)c1 ZINC001658244799 1196229773 /nfs/dbraw/zinc/22/97/73/1196229773.db2.gz OFBOAYRIZJWKOQ-UHFFFAOYSA-N 0 0 314.385 3.292 20 10 DGCDRN CN(C)C[C@@H]([NH2+]Cc1cc(F)c(F)cc1[O-])c1ccc(F)cc1 ZINC001658252803 1196231170 /nfs/dbraw/zinc/23/11/70/1196231170.db2.gz GQFQNBVPJKQUPQ-MRXNPFEDSA-N 0 0 324.346 3.202 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@@H](O)C[C@H]1c1ccccc1 ZINC001658675767 1196287472 /nfs/dbraw/zinc/28/74/72/1196287472.db2.gz OMRUVLHAGQEBEG-PBHICJAKSA-N 0 0 319.351 3.368 20 10 DGCDRN Cc1cc(CN[C@H](C(=O)OC(C)C)C(C)C)ccc1N(C)C ZINC001658734960 1196293777 /nfs/dbraw/zinc/29/37/77/1196293777.db2.gz COUFZQLOKZINOH-KRWDZBQOSA-N 0 0 306.450 3.127 20 10 DGCDRN COC(=O)CCc1cccc(NCc2cc(F)cc(F)c2O)c1 ZINC001658797039 1196302243 /nfs/dbraw/zinc/30/22/43/1196302243.db2.gz IQTHCJMCTDURQE-UHFFFAOYSA-N 0 0 321.323 3.388 20 10 DGCDRN COc1ccc(N(C)C[C@H]2C[C@@]2(C)Br)cc1F ZINC001658806572 1196303323 /nfs/dbraw/zinc/30/33/23/1196303323.db2.gz AQFIQHDMBQZCIG-NOZJJQNGSA-N 0 0 302.187 3.444 20 10 DGCDRN CCOc1cc(C(=O)OC)ccc1NCc1cccc(F)c1O ZINC001658926908 1196319827 /nfs/dbraw/zinc/31/98/27/1196319827.db2.gz XMOSKSXMQTZMAT-UHFFFAOYSA-N 0 0 319.332 3.329 20 10 DGCDRN C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cc(F)c(F)cc1[O-] ZINC001659140955 1196350776 /nfs/dbraw/zinc/35/07/76/1196350776.db2.gz OHGDEYDGSRAKHJ-GFCCVEGCSA-N 0 0 307.340 3.053 20 10 DGCDRN COc1c(NCc2cc(C(C)C)ccc2O)cccc1C(N)=O ZINC001659201043 1196358997 /nfs/dbraw/zinc/35/89/97/1196358997.db2.gz IGMGPHCBZJXOCY-UHFFFAOYSA-N 0 0 314.385 3.235 20 10 DGCDRN COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(F)c1[O-])CCO2 ZINC001659334568 1196372101 /nfs/dbraw/zinc/37/21/01/1196372101.db2.gz LMFUJFYJRBADHX-OAHLLOKOSA-N 0 0 303.333 3.153 20 10 DGCDRN CN(C)c1cc(F)c(CNc2ccc3c(c2)C(=O)OC3)cc1F ZINC001659381259 1196377450 /nfs/dbraw/zinc/37/74/50/1196377450.db2.gz OFTKDDYCBRVHSZ-UHFFFAOYSA-N 0 0 318.323 3.313 20 10 DGCDRN COc1cc(CN(C)c2ccc3c(c2)OCO3)c(Cl)cc1O ZINC001659400069 1196379419 /nfs/dbraw/zinc/37/94/19/1196379419.db2.gz ABMLWMODKLCSAG-UHFFFAOYSA-N 0 0 321.760 3.419 20 10 DGCDRN O=C1CC[C@H](c2cccc(NCc3cc(F)c(F)cc3O)c2)N1 ZINC001659464924 1196385851 /nfs/dbraw/zinc/38/58/51/1196385851.db2.gz BRDWEBZOQUQKOL-OAHLLOKOSA-N 0 0 318.323 3.234 20 10 DGCDRN C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1cccc(F)c1[O-] ZINC001659483782 1196387425 /nfs/dbraw/zinc/38/74/25/1196387425.db2.gz MULRTKCFTAWZKS-GXTWGEPZSA-N 0 0 323.408 3.474 20 10 DGCDRN Oc1c(F)cc(Cl)cc1CNc1ccccc1-n1nccn1 ZINC001660025731 1196438537 /nfs/dbraw/zinc/43/85/37/1196438537.db2.gz CUMZMLRVGWKQSB-UHFFFAOYSA-N 0 0 318.739 3.378 20 10 DGCDRN COc1cc2c(cc1O)CCN(Cc1ccc(Cl)cc1O)C2 ZINC001660018776 1196438828 /nfs/dbraw/zinc/43/88/28/1196438828.db2.gz XHVSLIUFDCJJGA-UHFFFAOYSA-N 0 0 319.788 3.318 20 10 DGCDRN CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3ccc(Cl)cc3[O-])C2)n1 ZINC001660107623 1196446391 /nfs/dbraw/zinc/44/63/91/1196446391.db2.gz RPURGIBVUTUNLB-GXFFZTMASA-N 0 0 321.808 3.417 20 10 DGCDRN COc1ccc(C)nc1NC(=O)NCc1cc(Cl)ccc1O ZINC001660471112 1196487576 /nfs/dbraw/zinc/48/75/76/1196487576.db2.gz GNTAREFHANPXNO-UHFFFAOYSA-N 0 0 321.764 3.079 20 10 DGCDRN O=C1CC[C@H](c2ccccc2NCc2cc(F)c(F)cc2O)N1 ZINC001660615106 1196504190 /nfs/dbraw/zinc/50/41/90/1196504190.db2.gz ISLOMEMERSMSOI-OAHLLOKOSA-N 0 0 318.323 3.234 20 10 DGCDRN Cc1cc(CN2NC(=O)C[C@H]2c2ccccc2)ccc1N(C)C ZINC001660743518 1196517831 /nfs/dbraw/zinc/51/78/31/1196517831.db2.gz IEAMZBCMTKVBDM-SFHVURJKSA-N 0 0 309.413 3.039 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@H](c1ccccc1)N(C)C ZINC001662266268 1196701485 /nfs/dbraw/zinc/70/14/85/1196701485.db2.gz LNGUTSDURLHIGH-SJKOYZFVSA-N 0 0 320.383 3.451 20 10 DGCDRN COC[C@H](C)n1ccc(NCc2cc(Cl)cc(F)c2O)n1 ZINC001662275758 1196702271 /nfs/dbraw/zinc/70/22/71/1196702271.db2.gz MFLRAYZSSOMXPZ-VIFPVBQESA-N 0 0 313.760 3.201 20 10 DGCDRN COc1ccnc(CNCc2c(C)c3ccccc3n2C)c1F ZINC001662900872 1196770307 /nfs/dbraw/zinc/77/03/07/1196770307.db2.gz MNDCMYILGCBKIH-UHFFFAOYSA-N 0 0 313.376 3.319 20 10 DGCDRN COC(=O)c1c(C[N@@H+]2C[C@@H](C)C[C@H]2C)c2cc(F)ccc2n1C ZINC001663591960 1196909591 /nfs/dbraw/zinc/90/95/91/1196909591.db2.gz YCJNATRBAMNENZ-NWDGAFQWSA-N 0 0 318.392 3.334 20 10 DGCDRN C[C@H](c1ccccc1)[N@H+](CCO)Cc1ccc(F)c(F)c1[O-] ZINC001663880168 1196954009 /nfs/dbraw/zinc/95/40/09/1196954009.db2.gz JIOLYHJLDNSBSB-GFCCVEGCSA-N 0 0 307.340 3.226 20 10 DGCDRN C=Cc1ccc(S(=O)(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001664903371 1197079000 /nfs/dbraw/zinc/07/90/00/1197079000.db2.gz BFPJMGSTPHRSPL-UHFFFAOYSA-N 0 0 323.801 3.167 20 10 DGCDRN Cc1cc(Cl)ncc1NC(=O)NCc1c(O)cccc1F ZINC001668013399 1197395326 /nfs/dbraw/zinc/39/53/26/1197395326.db2.gz XZQFJSDTFZUCEL-UHFFFAOYSA-N 0 0 309.728 3.210 20 10 DGCDRN C[C@H](NC(=O)NCc1c(O)cccc1F)c1ccc(F)cc1F ZINC001670047423 1197517901 /nfs/dbraw/zinc/51/79/01/1197517901.db2.gz BEMUKTYOYWLPPE-VIFPVBQESA-N 0 0 324.302 3.370 20 10 DGCDRN O=C(NCc1ccc(Cl)cc1F)N1Cc2cccc(O)c2C1 ZINC001671980408 1197589104 /nfs/dbraw/zinc/58/91/04/1197589104.db2.gz OCAKDYCFCDZSMM-UHFFFAOYSA-N 0 0 320.751 3.410 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2ccc3c(n2)CCCC3)cc1 ZINC001672893546 1197627090 /nfs/dbraw/zinc/62/70/90/1197627090.db2.gz LRBVKQHWYINZPU-UHFFFAOYSA-N 0 0 324.428 3.348 20 10 DGCDRN Cc1cn2ccc(NC(=O)N[C@H](C)c3ccccc3O)cc2n1 ZINC001673271999 1197647398 /nfs/dbraw/zinc/64/73/98/1197647398.db2.gz XIOOQKZELVFTHN-GFCCVEGCSA-N 0 0 310.357 3.231 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc2occc2c1 ZINC001673787305 1197693293 /nfs/dbraw/zinc/69/32/93/1197693293.db2.gz OMIOXTDSSOMPHB-UHFFFAOYSA-N 0 0 312.325 3.208 20 10 DGCDRN C[C@@H](NC(=O)Nc1ccc([S@](C)=O)cc1)c1ccccc1O ZINC001674535868 1197794413 /nfs/dbraw/zinc/79/44/13/1197794413.db2.gz NAKQFJYWXMOICN-XFNZEKPQSA-N 0 0 318.398 3.012 20 10 DGCDRN Cc1cccc(CNC(=O)NCc2cc(Cl)ccc2O)c1 ZINC001674636099 1197815560 /nfs/dbraw/zinc/81/55/60/1197815560.db2.gz MOULSODBNFJMSP-UHFFFAOYSA-N 0 0 304.777 3.353 20 10 DGCDRN O=C(NCCc1ccccc1)NCc1cccc(Cl)c1O ZINC001675414798 1198059109 /nfs/dbraw/zinc/05/91/09/1198059109.db2.gz YUNNDSRILXDCJW-UHFFFAOYSA-N 0 0 304.777 3.088 20 10 DGCDRN C[C@@H](NC(=O)NCCc1c[nH]c2ccccc12)c1ccccc1O ZINC001675887711 1198166824 /nfs/dbraw/zinc/16/68/24/1198166824.db2.gz BPAQBNXEIMQGQF-CYBMUJFWSA-N 0 0 323.396 3.476 20 10 DGCDRN C[C@H](NC(=O)NCc1ccc(F)cc1F)c1ccccc1O ZINC001676196968 1198247374 /nfs/dbraw/zinc/24/73/74/1198247374.db2.gz KVTATSOKYFENPS-JTQLQIEISA-N 0 0 306.312 3.231 20 10 DGCDRN COc1cccc(CNC(=O)NC[C@H]2CCC=CCCC2)c1O ZINC001676704150 1198367843 /nfs/dbraw/zinc/36/78/43/1198367843.db2.gz BVNPTXMFSHLPBG-AWEZNQCLSA-N 0 0 318.417 3.337 20 10 DGCDRN CCC1(CC)CN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC001677536449 1198548430 /nfs/dbraw/zinc/54/84/30/1198548430.db2.gz XFNBDSZIJRWRBT-UHFFFAOYSA-N 0 0 315.461 3.401 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N3CC[C@@H]3C(C)(C)C)ccc21 ZINC001677847593 1198594754 /nfs/dbraw/zinc/59/47/54/1198594754.db2.gz MJLPVWGMWFPRFK-QGZVFWFLSA-N 0 0 315.461 3.399 20 10 DGCDRN COc1cc(NC(=O)NCc2ccccc2O)cc2cccnc21 ZINC001677856412 1198596334 /nfs/dbraw/zinc/59/63/34/1198596334.db2.gz YDFGYDSIANSIMM-UHFFFAOYSA-N 0 0 323.352 3.271 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc2ccccc2n1 ZINC001679642116 1198812412 /nfs/dbraw/zinc/81/24/12/1198812412.db2.gz MWQDRYWGZUOCQY-UHFFFAOYSA-N 0 0 323.352 3.010 20 10 DGCDRN C[C@]1(c2ccccc2)C[C@@H]1NC(=O)NCc1c(O)cccc1F ZINC001679796951 1198825260 /nfs/dbraw/zinc/82/52/60/1198825260.db2.gz GYNBFAHDCTVRNC-FUHWJXTLSA-N 0 0 314.360 3.061 20 10 DGCDRN CC[C@H]1CCN(C(=O)NCCCSc2nccs2)[C@H]1C ZINC001680425356 1198879636 /nfs/dbraw/zinc/87/96/36/1198879636.db2.gz XXNJJVXJSIEJHJ-RYUDHWBXSA-N 0 0 313.492 3.455 20 10 DGCDRN C=C/C=C\CCNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001682100964 1199129907 /nfs/dbraw/zinc/12/99/07/1199129907.db2.gz IAXILGSKKCJYLE-XITLMJRVSA-N 0 0 315.461 3.424 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CC[C@H]2C2CCCC2)cc1 ZINC001682351337 1199153037 /nfs/dbraw/zinc/15/30/37/1199153037.db2.gz YZFCZFUQWPQWHQ-KRWDZBQOSA-N 0 0 301.434 3.227 20 10 DGCDRN CC[C@H](C)CONC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001682865592 1199207138 /nfs/dbraw/zinc/20/71/38/1199207138.db2.gz BUHZDSIIUFYSGZ-ZFWWWQNUSA-N 0 0 321.465 3.269 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H](C)C1(C)CC1 ZINC001683426283 1199270204 /nfs/dbraw/zinc/27/02/04/1199270204.db2.gz WPQPUFNFBOAPQB-HUUCEWRRSA-N 0 0 317.477 3.480 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCC(C)(C)F ZINC001684538666 1199393785 /nfs/dbraw/zinc/39/37/85/1199393785.db2.gz XFDABSDEWSCVQY-UHFFFAOYSA-N 0 0 307.413 3.176 20 10 DGCDRN C[C@H](NC(=O)N1Cc2cccc(O)c2C1)c1ccc(F)c(F)c1 ZINC001684685109 1199407835 /nfs/dbraw/zinc/40/78/35/1199407835.db2.gz BZLSZXBLINLSCW-JTQLQIEISA-N 0 0 318.323 3.457 20 10 DGCDRN Cc1ccc(F)c(CCNC(=O)N[C@H](C)c2ccccc2O)c1 ZINC001686486455 1199568011 /nfs/dbraw/zinc/56/80/11/1199568011.db2.gz BPNPFVOIWOPYGJ-CYBMUJFWSA-N 0 0 316.376 3.443 20 10 DGCDRN C[C@H](NC(=O)NCc1ccccc1O)[C@H]1CC2CCC1CC2 ZINC001686933502 1199601996 /nfs/dbraw/zinc/60/19/96/1199601996.db2.gz PJAXFHDPNDXESO-WLIAPVHPSA-N 0 0 302.418 3.406 20 10 DGCDRN CCOc1ccccc1NC[C@H](O)COc1ccc(F)cc1 ZINC000315087781 1199800084 /nfs/dbraw/zinc/80/00/84/1199800084.db2.gz LNLUHVKWCPSGKG-AWEZNQCLSA-N 0 0 305.349 3.076 20 10 DGCDRN CC(C)=CCCn1c(C)nnc1N(C)Cc1ccccc1O ZINC001706205747 1202567160 /nfs/dbraw/zinc/56/71/60/1202567160.db2.gz WMNWNWJVGAJNAS-UHFFFAOYSA-N 0 0 300.406 3.285 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000150733253 1202590544 /nfs/dbraw/zinc/59/05/44/1202590544.db2.gz CUHDDPJBSXPYDH-OAHLLOKOSA-N 0 0 312.413 3.399 20 10 DGCDRN Cc1cc(C(=O)NOC(C)(C)C)c(C)n1-c1ccc(C#N)cc1 ZINC000156021028 1202599708 /nfs/dbraw/zinc/59/97/08/1202599708.db2.gz LAGUDSDTXWZQAV-UHFFFAOYSA-N 0 0 311.385 3.426 20 10 DGCDRN Cc1cc(Br)cc(CN(C)CC(F)(F)F)c1O ZINC000160959362 1202654870 /nfs/dbraw/zinc/65/48/70/1202654870.db2.gz UKPJZJJBMSKUGB-UHFFFAOYSA-N 0 0 312.129 3.457 20 10 DGCDRN Cc1cc(O)ccc1NS(=O)(=O)Cc1cccc(Cl)c1 ZINC000243444910 1203589039 /nfs/dbraw/zinc/58/90/39/1203589039.db2.gz NDZIYYKGPKDLRX-UHFFFAOYSA-N 0 0 311.790 3.296 20 10 DGCDRN Cc1cc(O)ccc1NS(=O)(=O)Cc1ccc(Cl)cc1 ZINC000253459465 1203822188 /nfs/dbraw/zinc/82/21/88/1203822188.db2.gz JCKDDKSFVCLBMW-UHFFFAOYSA-N 0 0 311.790 3.296 20 10 DGCDRN C[C@@H]1C[C@H]1n1c(N(C)Cc2ccccc2O)nnc1C(C)(C)C ZINC001726494331 1204298026 /nfs/dbraw/zinc/29/80/26/1204298026.db2.gz FBJMEOGFGYCDOQ-TZMCWYRMSA-N 0 0 314.433 3.499 20 10 DGCDRN Cc1cc(NC(=O)NCc2c(O)cccc2F)cnc1Cl ZINC001669965136 1197511911 /nfs/dbraw/zinc/51/19/11/1197511911.db2.gz VAPLCWGMRXVHKB-UHFFFAOYSA-N 0 0 309.728 3.210 20 10 DGCDRN Cc1cc(CC[NH2+]C2CC(C(=O)[O-])C2)c(C)n1-c1ccccc1 ZINC001600188725 970775953 /nfs/dbraw/zinc/77/59/53/970775953.db2.gz UABLEXRUPYAZNT-UHFFFAOYSA-N 0 0 312.413 3.089 20 10 DGCDRN CCN(C)c1ccc(C[N@@H+]2CCC[C@@](CC)(C(=O)[O-])C2)cc1 ZINC001589714725 950365014 /nfs/dbraw/zinc/36/50/14/950365014.db2.gz DDKZBUARZLRJHF-GOSISDBHSA-N 0 0 304.434 3.220 20 10 DGCDRN O=C([O-])[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000321486476 951016030 /nfs/dbraw/zinc/01/60/30/951016030.db2.gz RWRNIAHMUSECMH-SFHVURJKSA-N 0 0 310.397 3.202 20 10 DGCDRN CCc1cccc(C[NH2+][C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1O ZINC001593642730 953663980 /nfs/dbraw/zinc/66/39/80/953663980.db2.gz UXTBVUBIKVVAPQ-SJORKVTESA-N 0 0 311.381 3.357 20 10 DGCDRN O=C([O-])[C@H]1C[N@@H+](Cc2ccc(Cl)cc2O)Cc2ccccc21 ZINC001594951831 954961328 /nfs/dbraw/zinc/96/13/28/954961328.db2.gz PQHHVZLPOHJAHY-HNNXBMFYSA-N 0 0 317.772 3.230 20 10 DGCDRN CC[C@]([NH2+]Cc1ccc(OC)c(C)c1)(C(=O)[O-])c1ccccc1 ZINC001595299660 980429511 /nfs/dbraw/zinc/42/95/11/980429511.db2.gz BDHYGVDJICBDJJ-LJQANCHMSA-N 0 0 313.397 3.483 20 10 DGCDRN CCCN(Cc1ccc(C(=O)[O-])cc1F)c1ccc(C[NH3+])cc1 ZINC001595888998 982920334 /nfs/dbraw/zinc/92/03/34/982920334.db2.gz VPOHDQLTZDGGQX-UHFFFAOYSA-N 0 0 316.376 3.399 20 10 DGCDRN CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CC[C@H](CC(=O)[O-])[C@H]1C ZINC001595894625 982931541 /nfs/dbraw/zinc/93/15/41/982931541.db2.gz NYOTYPULDRPMDH-FRFSOERESA-N 0 0 304.434 3.251 20 10 DGCDRN CCN(CC)c1ccc(C[N@H+]([C@H](C)C(=O)[O-])C2CCC2)cc1 ZINC001596289022 983709144 /nfs/dbraw/zinc/70/91/44/983709144.db2.gz BLMDDVCYCPYIBT-CQSZACIVSA-N 0 0 304.434 3.360 20 10 DGCDRN C[C@H]1C[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C[C@H]1C ZINC001594533174 986135854 /nfs/dbraw/zinc/13/58/54/986135854.db2.gz BDCJTJACZFBABB-PHIMTYICSA-N 0 0 304.365 3.103 20 10 DGCDRN C[C@H]([NH2+][C@@H]1C[C@H]1Cc1ccccc1)c1cc(C(=O)[O-])ccc1O ZINC001593218482 994285919 /nfs/dbraw/zinc/28/59/19/994285919.db2.gz GKFHVWOFOPTABV-XGWLTEMNSA-N 0 0 311.381 3.372 20 10 DGCDRN C[C@@H]([NH2+]CC(C)(C)c1ccccn1)c1cc(C(=O)[O-])ccc1O ZINC001593239604 994423625 /nfs/dbraw/zinc/42/36/25/994423625.db2.gz GRAPMOMELXVXAM-GFCCVEGCSA-N 0 0 314.385 3.114 20 10 DGCDRN C[C@]([NH2+]Cc1ccc(N2CCCC2)cc1)(C(=O)[O-])c1ccccc1 ZINC001593299761 994724487 /nfs/dbraw/zinc/72/44/87/994724487.db2.gz VKWUHYVQJDOWOX-HXUWFJFHSA-N 0 0 324.424 3.376 20 10 DGCDRN COc1cc(Cl)cc(C[NH2+][C@H](CC(C)(C)C)C(=O)[O-])c1O ZINC001599420687 997589013 /nfs/dbraw/zinc/58/90/13/997589013.db2.gz OZNFDLFGOIYEKP-LLVKDONJSA-N 0 0 315.797 3.033 20 10 DGCDRN COc1ccc(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)cc1F ZINC001599571300 998369921 /nfs/dbraw/zinc/36/99/21/998369921.db2.gz OIWRUCQKBYMGKW-JTQLQIEISA-N 0 0 319.332 3.089 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)[C@@H]1C[C@H]1C(=O)[O-] ZINC001594434225 999612859 /nfs/dbraw/zinc/61/28/59/999612859.db2.gz HMJGOMTZLCZBBR-FHLIZLRMSA-N 0 0 316.445 3.122 20 10 DGCDRN Cc1nc(Br)ccc1-c1ncnc2c1ccn2C ZINC001243556460 1082410543 /nfs/dbraw/zinc/41/05/43/1082410543.db2.gz HQBUEEMERPTFTH-UHFFFAOYSA-N 0 0 303.163 3.101 20 10 DGCDRN CC(C)C[C@H]1CN(Cc2cc(F)cc(Cl)c2[O-])CC[NH2+]1 ZINC001235885008 1099232877 /nfs/dbraw/zinc/23/28/77/1099232877.db2.gz PYBWFXLXJDUYNV-ZDUSSCGKSA-N 0 0 300.805 3.005 20 10 DGCDRN COC(=O)CC[N@H+](Cc1cc(Cl)c(Cl)cc1[O-])C1CC1 ZINC001236804365 1099797696 /nfs/dbraw/zinc/79/76/96/1099797696.db2.gz RMHDAXZQIGKANG-UHFFFAOYSA-N 0 0 318.200 3.227 20 10 DGCDRN Cc1cc(NS(=O)(=O)Cc2ccccc2F)c(C)cc1O ZINC000396460830 1081573966 /nfs/dbraw/zinc/57/39/66/1081573966.db2.gz JHNRYZUDFSNPPD-UHFFFAOYSA-N 0 0 309.362 3.090 20 10 DGCDRN COC(=O)c1cc(F)c(F)cc1Nc1ccc2c(c1)OCCN2 ZINC001209766504 1081791613 /nfs/dbraw/zinc/79/16/13/1081791613.db2.gz QHWDXNZICFTLCZ-UHFFFAOYSA-N 0 0 320.295 3.299 20 10 DGCDRN Oc1ccc(CNc2nc(Cl)nc3sccc32)cc1O ZINC001169992721 1081795258 /nfs/dbraw/zinc/79/52/58/1081795258.db2.gz BWUPDGHOMZSIQI-UHFFFAOYSA-N 0 0 307.762 3.368 20 10 DGCDRN Cc1ccc(C(=O)NC[C@H]2C[C@H]2Cc2ccccc2)c(O)c1O ZINC001648797933 1081817805 /nfs/dbraw/zinc/81/78/05/1081817805.db2.gz KWMUCMTUTDUORY-HUUCEWRRSA-N 0 0 311.381 3.015 20 10 DGCDRN CCOC(=O)c1cccc(NCc2ccc(O)c(O)c2)c1C ZINC001169996972 1081821350 /nfs/dbraw/zinc/82/13/50/1081821350.db2.gz OSGQUCJFPNSNTA-UHFFFAOYSA-N 0 0 301.342 3.195 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccsc2)cc1 ZINC001648799172 1081839481 /nfs/dbraw/zinc/83/94/81/1081839481.db2.gz IJZJTSJKBGTOKX-QWHCGFSZSA-N 0 0 314.370 3.196 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccc(-c3ccccn3)nc2)c1 ZINC001167293646 1081913348 /nfs/dbraw/zinc/91/33/48/1081913348.db2.gz MQZGTCOUFCBLAN-UHFFFAOYSA-N 0 0 319.364 3.088 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(C(F)(F)F)cn1)c1ccccc1O ZINC001648889628 1081954363 /nfs/dbraw/zinc/95/43/63/1081954363.db2.gz FNPUFBVWQFTLIH-SECBINFHSA-N 0 0 310.275 3.297 20 10 DGCDRN C[C@@H](NC(=O)c1cc2c(cc1O)CCCC2)c1ccccc1O ZINC001648889592 1081954392 /nfs/dbraw/zinc/95/43/92/1081954392.db2.gz CGIPCHPAWPAUKU-GFCCVEGCSA-N 0 0 311.381 3.468 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc3ccncc3c2)cc1F ZINC001125469566 1082105592 /nfs/dbraw/zinc/10/55/92/1082105592.db2.gz UDSJDKWMHSVWHI-UHFFFAOYSA-N 0 0 323.371 3.370 20 10 DGCDRN Cc1cccc(/C=C2\SC(=S)N(C)C2=O)c1OC(F)F ZINC000588393841 1082127163 /nfs/dbraw/zinc/12/71/63/1082127163.db2.gz DEJUUPACHQRWOW-TWGQIWQCSA-N 0 0 315.366 3.427 20 10 DGCDRN CCc1nc(NC(=O)/C=C\c2ccc(O)c(O)c2)sc1C ZINC000588403909 1082147562 /nfs/dbraw/zinc/14/75/62/1082147562.db2.gz HJIGIPJOBICFRO-ALCCZGGFSA-N 0 0 304.371 3.077 20 10 DGCDRN CCOCc1cccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000588404439 1082148220 /nfs/dbraw/zinc/14/82/20/1082148220.db2.gz RQPPUYUAABGUFF-CLFYSBASSA-N 0 0 313.353 3.286 20 10 DGCDRN C[C@@H]1Cc2ccccc2CN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588406595 1082151902 /nfs/dbraw/zinc/15/19/02/1082151902.db2.gz JSXWVHGZDIMWFP-FNOHHLHBSA-N 0 0 309.365 3.084 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(O)c(Cl)c1 ZINC000588412926 1082177306 /nfs/dbraw/zinc/17/73/06/1082177306.db2.gz MHDQZQWXUARVHG-KXFIGUGUSA-N 0 0 305.717 3.109 20 10 DGCDRN O=C1NC(=S)S/C1=C\c1ccc(SC(F)F)cc1 ZINC000588419746 1082209726 /nfs/dbraw/zinc/20/97/26/1082209726.db2.gz YUVDDGIZXURKAY-YVMONPNESA-N 0 0 303.380 3.490 20 10 DGCDRN Oc1cc(Cl)ccc1CN(Cc1cocn1)Cc1cocn1 ZINC001140464885 1082270924 /nfs/dbraw/zinc/27/09/24/1082270924.db2.gz FAPSPKRMCZYWOD-UHFFFAOYSA-N 0 0 319.748 3.224 20 10 DGCDRN Cc1ccc2c(c1)nccc2NCC(=O)c1ccc(O)c(O)c1 ZINC001170321020 1082344886 /nfs/dbraw/zinc/34/48/86/1082344886.db2.gz VGJHCYSUVFYEKK-UHFFFAOYSA-N 0 0 308.337 3.249 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCCc2sccc21 ZINC000588479654 1082428766 /nfs/dbraw/zinc/42/87/66/1082428766.db2.gz FBWGPLJCDLOJPO-VGVVRCBHSA-N 0 0 315.394 3.366 20 10 DGCDRN COC[C@H](C)CC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001132048246 1082806222 /nfs/dbraw/zinc/80/62/22/1082806222.db2.gz NXENHNRDPXBVQL-CQSZACIVSA-N 0 0 314.429 3.383 20 10 DGCDRN Oc1cc(Cl)cc(CN2CCCc3cc(O)c(O)cc3C2)c1 ZINC001140790894 1083048571 /nfs/dbraw/zinc/04/85/71/1083048571.db2.gz QDLWRQYBWWASKT-UHFFFAOYSA-N 0 0 319.788 3.405 20 10 DGCDRN Cc1ncc(C(F)(F)F)cc1N(CCO)c1ccc(N)cc1 ZINC001213830994 1083216129 /nfs/dbraw/zinc/21/61/29/1083216129.db2.gz VVUINNNXYXFDQD-UHFFFAOYSA-N 0 0 311.307 3.121 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)C[C@H]1CCOC1 ZINC001180929145 1083370254 /nfs/dbraw/zinc/37/02/54/1083370254.db2.gz BOBYZYJFVQINPM-ACJLOTCBSA-N 0 0 317.429 3.175 20 10 DGCDRN O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCCc2cc(O)c(O)cc2C1 ZINC001181447225 1083468783 /nfs/dbraw/zinc/46/87/83/1083468783.db2.gz XARQKSXVGFPHLD-IAGOWNOFSA-N 0 0 323.392 3.176 20 10 DGCDRN COc1ccc(Cl)c(CC(=O)NCc2ccccc2O)c1F ZINC001181640970 1083500430 /nfs/dbraw/zinc/50/04/30/1083500430.db2.gz RWVFVEZBMSBHII-UHFFFAOYSA-N 0 0 323.751 3.052 20 10 DGCDRN CC[C@H](C)[NH+]1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001181786164 1083538938 /nfs/dbraw/zinc/53/89/38/1083538938.db2.gz IIWMKSRGYLTUEF-NSHDSACASA-N 0 0 300.805 3.101 20 10 DGCDRN [O-]c1cc(Cl)ccc1C[NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC001181845336 1083556900 /nfs/dbraw/zinc/55/69/00/1083556900.db2.gz UBULGKAUIPUIRZ-NVXWUHKLSA-N 0 0 318.804 3.451 20 10 DGCDRN C[C@H]1C[C@H](NC(=O)CCc2ccc(O)c(O)c2)CC(C)(C)C1 ZINC001182155124 1083634464 /nfs/dbraw/zinc/63/44/64/1083634464.db2.gz CNQFRFWRCPQOPF-JSGCOSHPSA-N 0 0 305.418 3.361 20 10 DGCDRN O=C(CCc1ccc(O)c(O)c1)Nc1ccc(C2CCC2)nc1 ZINC001182155174 1083634754 /nfs/dbraw/zinc/63/47/54/1083634754.db2.gz UMMZHOOJKHSBDW-UHFFFAOYSA-N 0 0 312.369 3.332 20 10 DGCDRN O=C(CCc1ccc(O)c(O)c1)Nc1scnc1C1CC1 ZINC001182154081 1083634810 /nfs/dbraw/zinc/63/48/10/1083634810.db2.gz AFBNYQFWPZBSQI-UHFFFAOYSA-N 0 0 304.371 3.003 20 10 DGCDRN C[C@@H]1C[C@@H](NC(=O)CCc2ccc(O)c(O)c2)c2ccccc21 ZINC001182155839 1083636813 /nfs/dbraw/zinc/63/68/13/1083636813.db2.gz RWGAQCHOSMWSKS-MLGOLLRUSA-N 0 0 311.381 3.395 20 10 DGCDRN CCOC(=O)C1(NCc2ccc(N(C)C)cc2)CCCCC1 ZINC001167778235 1083798272 /nfs/dbraw/zinc/79/82/72/1083798272.db2.gz CSKIUWYANGSISU-UHFFFAOYSA-N 0 0 304.434 3.108 20 10 DGCDRN O=C(Cn1ccc2c1cccc2F)N1CCc2cccc(O)c2C1 ZINC001182825825 1083813156 /nfs/dbraw/zinc/81/31/56/1083813156.db2.gz QSLNWJSOFXZRAN-UHFFFAOYSA-N 0 0 324.355 3.071 20 10 DGCDRN CC(C)(CNC(=O)c1cccc(O)c1O)c1cccc(Cl)c1 ZINC001625908602 1084023176 /nfs/dbraw/zinc/02/31/76/1084023176.db2.gz XVTDTIJULXSSDE-UHFFFAOYSA-N 0 0 319.788 3.459 20 10 DGCDRN COC(=O)C[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)C(C)(C)C ZINC001184012540 1084088692 /nfs/dbraw/zinc/08/86/92/1084088692.db2.gz NCWYIKBBMOYRMS-GFCCVEGCSA-N 0 0 317.788 3.252 20 10 DGCDRN CC[C@](C)(O)CC(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001184259981 1084137933 /nfs/dbraw/zinc/13/79/33/1084137933.db2.gz BHRBJQIBVPHGOC-IBGZPJMESA-N 0 0 312.413 3.353 20 10 DGCDRN [O-]c1c(Br)cccc1C[NH2+]CC1SCCS1 ZINC000692888832 1084139982 /nfs/dbraw/zinc/13/99/82/1084139982.db2.gz OASNWKPOQVZJIK-UHFFFAOYSA-N 0 0 320.277 3.050 20 10 DGCDRN C[C@@]1(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)CCOC1 ZINC001184393743 1084169503 /nfs/dbraw/zinc/16/95/03/1084169503.db2.gz SXPYWKYTZOPLGP-LJQANCHMSA-N 0 0 310.397 3.229 20 10 DGCDRN C[N@H+](C1CC1)[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203586888 1084171989 /nfs/dbraw/zinc/17/19/89/1084171989.db2.gz VKLSIJMJWAOWRC-CYBMUJFWSA-N 0 0 315.244 3.368 20 10 DGCDRN Cc1cc(C)c(CNC(=O)C(C)(C)CC2CCOCC2)c(O)c1 ZINC001185328125 1084420194 /nfs/dbraw/zinc/42/01/94/1084420194.db2.gz HDALNZHGQYYVEC-UHFFFAOYSA-N 0 0 319.445 3.468 20 10 DGCDRN CCN(Cc1ccccc1O)S(=O)(=O)c1cccc(F)c1C ZINC001185821479 1084538375 /nfs/dbraw/zinc/53/83/75/1084538375.db2.gz LIFARLHUTSQESQ-UHFFFAOYSA-N 0 0 323.389 3.051 20 10 DGCDRN O=C(NCc1ccccc1O)C1(c2ccc3ncccc3c2)CC1 ZINC001186093834 1084587570 /nfs/dbraw/zinc/58/75/70/1084587570.db2.gz SXHVRHPYXXIPGQ-UHFFFAOYSA-N 0 0 318.376 3.288 20 10 DGCDRN O=C(C[C@H]1CCc2cc(F)ccc2C1)NCc1ccccc1O ZINC001186160626 1084603513 /nfs/dbraw/zinc/60/35/13/1084603513.db2.gz ITVVQKQLOSTWPS-ZDUSSCGKSA-N 0 0 313.372 3.343 20 10 DGCDRN C[C@@H](NC(=O)N1CCc2cccc(O)c2C1)C1CCCCC1 ZINC001186334935 1084636888 /nfs/dbraw/zinc/63/68/88/1084636888.db2.gz VGKQUKKJSOEHSW-CYBMUJFWSA-N 0 0 302.418 3.429 20 10 DGCDRN O=C(NCCC(F)(F)F)NCc1cc2ccccc2cc1O ZINC001187039532 1084743563 /nfs/dbraw/zinc/74/35/63/1084743563.db2.gz KWWGZSJMDXLWQH-UHFFFAOYSA-N 0 0 312.291 3.297 20 10 DGCDRN Cc1cc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)ccc1O ZINC001187206429 1084774657 /nfs/dbraw/zinc/77/46/57/1084774657.db2.gz AULKDMWOIZCNMX-UHFFFAOYSA-N 0 0 323.439 3.442 20 10 DGCDRN COc1c(F)cc(F)cc1CN1CCc2cccc(O)c2C1 ZINC001143563280 1085741787 /nfs/dbraw/zinc/74/17/87/1085741787.db2.gz SWBRJCLPZNYJCA-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN CCOc1ccc(NCCc2cc(O)c(O)cc2O)cc1C ZINC001168005270 1086146785 /nfs/dbraw/zinc/14/67/85/1086146785.db2.gz CRVUAUAEBFSNHW-UHFFFAOYSA-N 0 0 303.358 3.165 20 10 DGCDRN CC(C)c1cc(Cl)nc(NCCc2cc(O)c(O)cc2O)n1 ZINC001168009577 1086177089 /nfs/dbraw/zinc/17/70/89/1086177089.db2.gz KWFNDKJIUDBVSL-UHFFFAOYSA-N 0 0 323.780 3.025 20 10 DGCDRN CC(C)(O)C[N@H+](Cc1ccccc1)Cc1cc(F)c(F)cc1[O-] ZINC001142527496 1087277741 /nfs/dbraw/zinc/27/77/41/1087277741.db2.gz WXORXVWUMPFICB-UHFFFAOYSA-N 0 0 321.367 3.444 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH+]1CCC(c2cccnc2)CC1 ZINC001142527063 1087278006 /nfs/dbraw/zinc/27/80/06/1087278006.db2.gz JDLNNIKYYGNKTB-UHFFFAOYSA-N 0 0 304.340 3.445 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1cc(Cl)cc(Cl)c1 ZINC001142530423 1087278550 /nfs/dbraw/zinc/27/85/50/1087278550.db2.gz OTYXQWFFWBZAMV-UHFFFAOYSA-N 0 0 312.152 3.335 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1coc2ccc(Cl)cc12 ZINC001142533836 1087279707 /nfs/dbraw/zinc/27/97/07/1087279707.db2.gz SQBJJXVPCWCJPA-UHFFFAOYSA-N 0 0 317.728 3.427 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2scnc2C(C)(C)C)cc1 ZINC000176438306 1087753723 /nfs/dbraw/zinc/75/37/23/1087753723.db2.gz PYABMMGSNVFPLB-UHFFFAOYSA-N 0 0 317.458 3.437 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)Nc1nc2ccccc2s1 ZINC000176499919 1087850979 /nfs/dbraw/zinc/85/09/79/1087850979.db2.gz SOTLOXJSTBRMBT-UHFFFAOYSA-N 0 0 315.354 3.029 20 10 DGCDRN Oc1ccc(CNc2cncc(OCc3ccccc3)n2)cc1O ZINC001158993996 1088122585 /nfs/dbraw/zinc/12/25/85/1088122585.db2.gz BFBWSUJADZFORV-UHFFFAOYSA-N 0 0 323.352 3.079 20 10 DGCDRN Cc1cc(C(F)(F)NCc2ccc(O)c(O)c2)cc(Cl)n1 ZINC001158994515 1088123999 /nfs/dbraw/zinc/12/39/99/1088123999.db2.gz NAWHAYGGELRTNS-UHFFFAOYSA-N 0 0 314.719 3.294 20 10 DGCDRN CSc1nc2ccsc2c(NCc2ccc(O)c(O)c2)n1 ZINC001158995881 1088125667 /nfs/dbraw/zinc/12/56/67/1088125667.db2.gz PLVPCQBQNWRODS-UHFFFAOYSA-N 0 0 319.411 3.437 20 10 DGCDRN CC(C)(C)OC(=O)c1ccc(NCc2ccc(O)c(O)c2)nc1 ZINC001158996200 1088125919 /nfs/dbraw/zinc/12/59/19/1088125919.db2.gz ZVLXCRJCAQIHGS-UHFFFAOYSA-N 0 0 316.357 3.060 20 10 DGCDRN COc1ccccc1-c1ccc(NCc2ccc(O)c(O)c2)nn1 ZINC001158997718 1088126866 /nfs/dbraw/zinc/12/68/66/1088126866.db2.gz OBJBJDSVQLXESM-UHFFFAOYSA-N 0 0 323.352 3.176 20 10 DGCDRN Oc1ccc(CNc2nccnc2Oc2ccccc2)cc1O ZINC001159004690 1088132735 /nfs/dbraw/zinc/13/27/35/1088132735.db2.gz GRHZWMMQBOVMKP-UHFFFAOYSA-N 0 0 309.325 3.292 20 10 DGCDRN C[C@@H](Oc1ccccc1F)C(=O)NCc1cccc(Cl)c1O ZINC001159033687 1088153369 /nfs/dbraw/zinc/15/33/69/1088153369.db2.gz LWBOWZJTYYBAAZ-SNVBAGLBSA-N 0 0 323.751 3.268 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC001153884649 1088396891 /nfs/dbraw/zinc/39/68/91/1088396891.db2.gz DRIWBXNQLJPNFE-VXGBXAGGSA-N 0 0 317.307 3.083 20 10 DGCDRN Cc1cccc2c(C(=O)N3CCc4cccc(O)c4C3)ccnc12 ZINC001154034115 1088449542 /nfs/dbraw/zinc/44/95/42/1088449542.db2.gz BECLFXSQBGAVHP-UHFFFAOYSA-N 0 0 318.376 3.447 20 10 DGCDRN COC(=O)c1cc(O)c(F)cc1Nc1ccc2c(c1)CCCN2 ZINC001159825906 1088508706 /nfs/dbraw/zinc/50/87/06/1088508706.db2.gz BDKUPCSHGJQVHW-UHFFFAOYSA-N 0 0 316.332 3.420 20 10 DGCDRN Oc1c(CNc2ncc(F)cn2)cc(Cl)c2cccnc12 ZINC001168522583 1088531586 /nfs/dbraw/zinc/53/15/86/1088531586.db2.gz FZBZFQBGGQBMPJ-UHFFFAOYSA-N 0 0 304.712 3.135 20 10 DGCDRN COc1cnc(NCc2cc(Br)ccc2O)c(C)c1 ZINC001160011520 1088600273 /nfs/dbraw/zinc/60/02/73/1088600273.db2.gz DOHMRWDHAIDCJG-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN O=[N+]([O-])c1cccc(NCc2cc(Br)ccc2O)n1 ZINC001160012744 1088602771 /nfs/dbraw/zinc/60/27/71/1088602771.db2.gz TUVDNQYUEAMSHN-UHFFFAOYSA-N 0 0 324.134 3.070 20 10 DGCDRN Cn1cnc2c1ccnc2NCc1cc2ccccc2cc1O ZINC001160207850 1088696889 /nfs/dbraw/zinc/69/68/89/1088696889.db2.gz ZQXDHCWGEWSUKG-UHFFFAOYSA-N 0 0 304.353 3.439 20 10 DGCDRN Oc1cc2ccccc2cc1CNc1ncnc2ncccc21 ZINC001160207846 1088697288 /nfs/dbraw/zinc/69/72/88/1088697288.db2.gz ZOBXKCKUGPLHNN-UHFFFAOYSA-N 0 0 302.337 3.496 20 10 DGCDRN CC[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(F)(F)F ZINC001160239216 1088717340 /nfs/dbraw/zinc/71/73/40/1088717340.db2.gz UEFZSMFBWPFWFO-LLVKDONJSA-N 0 0 319.304 3.383 20 10 DGCDRN CCN(CC)c1cncc(N(CC)Cc2ccccc2O)n1 ZINC001154888637 1088810690 /nfs/dbraw/zinc/81/06/90/1088810690.db2.gz FQRJYRSIWHNOLP-UHFFFAOYSA-N 0 0 300.406 3.055 20 10 DGCDRN CCN(Cc1ccccc1O)c1nc(Cl)nc2[nH]cc(F)c21 ZINC001154889877 1088813686 /nfs/dbraw/zinc/81/36/86/1088813686.db2.gz KCAYGHWBNOCLFZ-UHFFFAOYSA-N 0 0 320.755 3.483 20 10 DGCDRN CCN(Cc1ccccc1O)c1ncnc2nc(Cl)ccc21 ZINC001154889810 1088813793 /nfs/dbraw/zinc/81/37/93/1088813793.db2.gz HYTVEAHEOSNUMY-UHFFFAOYSA-N 0 0 314.776 3.410 20 10 DGCDRN CCN(Cc1ccccc1O)c1ncc2cc(OC)ccc2n1 ZINC001154889154 1088814369 /nfs/dbraw/zinc/81/43/69/1088814369.db2.gz QQZCNJPZYDGFPV-UHFFFAOYSA-N 0 0 309.369 3.371 20 10 DGCDRN CCN(Cc1ccccc1O)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001154889781 1088814726 /nfs/dbraw/zinc/81/47/26/1088814726.db2.gz HCJPYAIFOKHHNF-UHFFFAOYSA-N 0 0 324.340 3.270 20 10 DGCDRN COC(=O)c1ccc2nc(NCc3cccc(C)c3O)ncc2c1 ZINC001160765100 1088948837 /nfs/dbraw/zinc/94/88/37/1088948837.db2.gz SCUOLEIVZCFSJV-UHFFFAOYSA-N 0 0 323.352 3.043 20 10 DGCDRN Cc1cccc(CNC(F)(F)c2cc(N)cc(Cl)n2)c1O ZINC001160769029 1088951058 /nfs/dbraw/zinc/95/10/58/1088951058.db2.gz HRLFZFBQOYUJKT-UHFFFAOYSA-N 0 0 313.735 3.170 20 10 DGCDRN CCOC(=O)Cc1cccnc1NCc1c(C)cc(C)cc1O ZINC001160808502 1088970761 /nfs/dbraw/zinc/97/07/61/1088970761.db2.gz UMJGMIZFNLDJTL-UHFFFAOYSA-N 0 0 314.385 3.122 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2ccnc3ccc(O)cc32)c(O)c1 ZINC001155141401 1088972579 /nfs/dbraw/zinc/97/25/79/1088972579.db2.gz GDKJYUAJRRKTEV-UHFFFAOYSA-N 0 0 322.364 3.193 20 10 DGCDRN CSCc1ccc(N2CCCc3cc(O)c(O)cc3C2)nc1 ZINC001155944993 1089307482 /nfs/dbraw/zinc/30/74/82/1089307482.db2.gz ODYVKPDCVVZXQC-UHFFFAOYSA-N 0 0 316.426 3.309 20 10 DGCDRN O=C(Cc1c[nH]c2cc(F)ccc12)NCc1c(O)cccc1F ZINC001156170026 1089417296 /nfs/dbraw/zinc/41/72/96/1089417296.db2.gz CBLKVOGGVBOGJC-UHFFFAOYSA-N 0 0 316.307 3.011 20 10 DGCDRN Cc1ccc(Cl)cc1OCC(=O)NCc1c(O)cccc1F ZINC001156177395 1089420576 /nfs/dbraw/zinc/42/05/76/1089420576.db2.gz FHZHZJWHPQFYCV-UHFFFAOYSA-N 0 0 323.751 3.188 20 10 DGCDRN Cc1noc(-c2ccnc(N(C)Cc3ccc(N(C)C)cc3)c2)n1 ZINC001156921047 1089742773 /nfs/dbraw/zinc/74/27/73/1089742773.db2.gz QTZCHDRRUVKHDF-UHFFFAOYSA-N 0 0 323.400 3.142 20 10 DGCDRN CN(C)c1ccc(CN(C)c2nc(Cl)ncc2Cl)cc1 ZINC001156924330 1089745373 /nfs/dbraw/zinc/74/53/73/1089745373.db2.gz XZUUOCPODPKZCY-UHFFFAOYSA-N 0 0 311.216 3.486 20 10 DGCDRN COc1cc(Cl)nc(N(C)Cc2ccc(N(C)C)cc2)c1 ZINC001156923829 1089746317 /nfs/dbraw/zinc/74/63/17/1089746317.db2.gz HOZSYWXUPDJRLK-UHFFFAOYSA-N 0 0 305.809 3.446 20 10 DGCDRN O=Cc1cc(C(=O)NCc2c(O)ccc3ccccc32)cs1 ZINC001157041788 1089796302 /nfs/dbraw/zinc/79/63/02/1089796302.db2.gz NURXSVMLXBCHRG-UHFFFAOYSA-N 0 0 311.362 3.349 20 10 DGCDRN C[C@@H](CC(=O)NCc1ccc2cccnc2c1O)n1cccc1 ZINC001162607079 1089823832 /nfs/dbraw/zinc/82/38/32/1089823832.db2.gz HMTYXIWHNKLCLK-ZDUSSCGKSA-N 0 0 309.369 3.009 20 10 DGCDRN CC(C)c1c(Cl)ncnc1NCCc1cc(O)c(O)cc1O ZINC001157247251 1089890045 /nfs/dbraw/zinc/89/00/45/1089890045.db2.gz NKJBLSPGOQFEES-UHFFFAOYSA-N 0 0 323.780 3.025 20 10 DGCDRN [O-]c1cc(Cl)c(Cl)cc1C[N@H+]1CCCC[C@@](O)(CF)C1 ZINC001236794927 1089894894 /nfs/dbraw/zinc/89/48/94/1089894894.db2.gz WWCHYSKABUISJV-CQSZACIVSA-N 0 0 322.207 3.386 20 10 DGCDRN COc1cc(C(F)(F)NCc2ccc(N)cc2)cc(Cl)n1 ZINC001162784304 1089952268 /nfs/dbraw/zinc/95/22/68/1089952268.db2.gz JNSIHPWDYJNRCM-UHFFFAOYSA-N 0 0 313.735 3.165 20 10 DGCDRN Nc1ccc(CNc2nc(Cl)nc3c2CSCC3)cc1 ZINC001162784048 1089952429 /nfs/dbraw/zinc/95/24/29/1089952429.db2.gz FICSUBXEHGBOJT-UHFFFAOYSA-N 0 0 306.822 3.114 20 10 DGCDRN COc1ccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c([O-])c1Cl ZINC001236811195 1089953210 /nfs/dbraw/zinc/95/32/10/1089953210.db2.gz HRZYMBRYANRWKN-ZDUSSCGKSA-N 0 0 303.736 3.285 20 10 DGCDRN Nc1ccc(CNc2nc(Cl)c(Cl)cc2[N+](=O)[O-])cc1 ZINC001162784536 1089954419 /nfs/dbraw/zinc/95/44/19/1089954419.db2.gz QKPKFUMZNNRRIW-UHFFFAOYSA-N 0 0 313.144 3.491 20 10 DGCDRN COC(=O)[C@@]1(C)CCCN1Cc1c(O)ccc(Cl)c1Cl ZINC001237078110 1090283372 /nfs/dbraw/zinc/28/33/72/1090283372.db2.gz OFVINRFPDCGROF-CQSZACIVSA-N 0 0 318.200 3.227 20 10 DGCDRN Cc1cccc(C)c1NC1=NC(=O)C(=Cc2cnn(C)c2)S1 ZINC000210958028 1090304299 /nfs/dbraw/zinc/30/42/99/1090304299.db2.gz YPMVJONAKBKHCZ-QPEQYQDCSA-N 0 0 312.398 3.119 20 10 DGCDRN C[C@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2[O-])CC[C@@]1(C)O ZINC001237808689 1090326441 /nfs/dbraw/zinc/32/64/41/1090326441.db2.gz VXZUDRFOOJKSOD-ZUZCIYMTSA-N 0 0 301.789 3.168 20 10 DGCDRN COc1nccc(NCc2cc(Cl)c3cccnc3c2O)n1 ZINC001168528283 1090357873 /nfs/dbraw/zinc/35/78/73/1090357873.db2.gz SEONCOLRJPKGJL-UHFFFAOYSA-N 0 0 316.748 3.005 20 10 DGCDRN c1snnc1-c1nc(-c2ccc(Oc3ccccc3)nc2)no1 ZINC001212364128 1090578547 /nfs/dbraw/zinc/57/85/47/1090578547.db2.gz FYZBPCCTDQSGSI-UHFFFAOYSA-N 0 0 323.337 3.442 20 10 DGCDRN Cc1snnc1-c1nc(-c2ccccc2OC(C)C)no1 ZINC001212405102 1090626590 /nfs/dbraw/zinc/62/65/90/1090626590.db2.gz HMEJYROSPGNWDA-UHFFFAOYSA-N 0 0 302.359 3.351 20 10 DGCDRN NC(=O)c1ccc(Nc2ccccc2C(=O)c2ccccc2)cn1 ZINC001203438107 1090735815 /nfs/dbraw/zinc/73/58/15/1090735815.db2.gz RETQRBTYPBMZOU-UHFFFAOYSA-N 0 0 317.348 3.155 20 10 DGCDRN Oc1ccccc1CN1CC[C@@H](N2CCCCC2)C(F)(F)C1 ZINC001203562357 1090757875 /nfs/dbraw/zinc/75/78/75/1090757875.db2.gz JCHPSXJEUXHMQF-MRXNPFEDSA-N 0 0 310.388 3.088 20 10 DGCDRN C[C@]1(O)CCCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203574380 1090759539 /nfs/dbraw/zinc/75/95/39/1090759539.db2.gz URWSRWKERVFICH-AWEZNQCLSA-N 0 0 304.217 3.436 20 10 DGCDRN C[C@@H]1CO[C@@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]12 ZINC001203581857 1090761576 /nfs/dbraw/zinc/76/15/76/1090761576.db2.gz AKGRNZWUCKSEKS-XTWCZFFVSA-N 0 0 302.201 3.166 20 10 DGCDRN CNC(=O)c1ccc(N(c2ccccc2)c2ccc(N)cc2)cn1 ZINC001203637209 1090771065 /nfs/dbraw/zinc/77/10/65/1090771065.db2.gz PAFJJEOJHURRDW-UHFFFAOYSA-N 0 0 318.380 3.493 20 10 DGCDRN OC[C@@H]1CC[C@H](C(F)(F)F)N(Cc2cc(Cl)ccc2O)C1 ZINC001203651227 1090773781 /nfs/dbraw/zinc/77/37/81/1090773781.db2.gz LFOFTMFLSLWODH-NOZJJQNGSA-N 0 0 323.742 3.181 20 10 DGCDRN CN(C)c1ccc(CN2[C@@H](C(F)(F)F)CCC[C@H]2CO)cc1 ZINC001203929381 1090841816 /nfs/dbraw/zinc/84/18/16/1090841816.db2.gz BBYVRQLWJBLTCR-LSDHHAIUSA-N 0 0 316.367 3.030 20 10 DGCDRN CCN(CC)c1ccc(CN2CC(F)(F)CC[C@@H]2CO)cc1 ZINC001203936784 1090844749 /nfs/dbraw/zinc/84/47/49/1090844749.db2.gz NJOAMDHCSMZISH-MRXNPFEDSA-N 0 0 312.404 3.125 20 10 DGCDRN CCN(CC)c1ccc(CN2CC3(C2)CC(F)(F)CO3)cc1 ZINC001203942447 1090845126 /nfs/dbraw/zinc/84/51/26/1090845126.db2.gz QUEMWRCKWXLGRY-UHFFFAOYSA-N 0 0 310.388 3.143 20 10 DGCDRN CN(C)c1ccc(CN(C)Cc2ncccn2)c2ccccc21 ZINC001204234369 1090931750 /nfs/dbraw/zinc/93/17/50/1090931750.db2.gz ZNARHOIYDACGFR-UHFFFAOYSA-N 0 0 306.413 3.328 20 10 DGCDRN Oc1ccc(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)c(O)c1 ZINC001204283039 1090938763 /nfs/dbraw/zinc/93/87/63/1090938763.db2.gz XPSKSJUJXJPWFF-INIZCTEOSA-N 0 0 301.361 3.444 20 10 DGCDRN Oc1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c(O)c1 ZINC001204283040 1090939649 /nfs/dbraw/zinc/93/96/49/1090939649.db2.gz XPSKSJUJXJPWFF-MRXNPFEDSA-N 0 0 301.361 3.444 20 10 DGCDRN Oc1c(CN2CCCC(F)(F)C2)cc2c3c1CCCN3CCC2 ZINC001138338955 1091147059 /nfs/dbraw/zinc/14/70/59/1091147059.db2.gz XOZGLBKVJCCYHO-UHFFFAOYSA-N 0 0 322.399 3.322 20 10 DGCDRN C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1ccc2c(c1)CCCN2C ZINC001138356552 1091150658 /nfs/dbraw/zinc/15/06/58/1091150658.db2.gz QXQOVTODTQELFY-AWEZNQCLSA-N 0 0 318.461 3.231 20 10 DGCDRN CCN(CC)c1ccc(CN2CCC(=O)[C@H](C)CC2)c(OC)c1 ZINC001138386825 1091161295 /nfs/dbraw/zinc/16/12/95/1091161295.db2.gz XNKYCPZYODZUCW-OAHLLOKOSA-N 0 0 318.461 3.342 20 10 DGCDRN CCN(CC)c1ccc(CN2CCCCC23COC3)c(OC)c1 ZINC001138389283 1091163720 /nfs/dbraw/zinc/16/37/20/1091163720.db2.gz ILUPKJDUYZUZJL-UHFFFAOYSA-N 0 0 318.461 3.296 20 10 DGCDRN [O-]c1cccc(F)c1C[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001137837656 1091207150 /nfs/dbraw/zinc/20/71/50/1091207150.db2.gz PZOZWBVWSAOAFY-AWEZNQCLSA-N 0 0 305.324 3.324 20 10 DGCDRN COc1ccc(C)cc1NC(=O)N1CCc2cccc(O)c2C1 ZINC001202862360 1091316210 /nfs/dbraw/zinc/31/62/10/1091316210.db2.gz KPAJHVYUHWSLJL-UHFFFAOYSA-N 0 0 312.369 3.299 20 10 DGCDRN CCC[C@@H](O)CNC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001294691853 1091429960 /nfs/dbraw/zinc/42/99/60/1091429960.db2.gz JDEAJHRSSGASHE-MRXNPFEDSA-N 0 0 314.429 3.293 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCCC(F)(F)CC1 ZINC001139126283 1091456220 /nfs/dbraw/zinc/45/62/20/1091456220.db2.gz DJFJYDYWKRNWPH-UHFFFAOYSA-N 0 0 323.339 3.428 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCC[C@@H](C)CC1 ZINC001139125109 1091456797 /nfs/dbraw/zinc/45/67/97/1091456797.db2.gz MCLDWCXWDILATL-GFCCVEGCSA-N 0 0 301.386 3.429 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC001139123829 1091457475 /nfs/dbraw/zinc/45/74/75/1091457475.db2.gz KZRIGLLTLKAWCV-MRXNPFEDSA-N 0 0 318.461 3.394 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001139129529 1091458731 /nfs/dbraw/zinc/45/87/31/1091458731.db2.gz ALEGHRLJYHKNHQ-RYUDHWBXSA-N 0 0 301.386 3.285 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCC[C@H](C(F)F)C1 ZINC001139129023 1091458799 /nfs/dbraw/zinc/45/87/99/1091458799.db2.gz LANYKRVXFONVAV-NSHDSACASA-N 0 0 323.339 3.284 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCC[C@@H]1C(C)C ZINC001139133195 1091461522 /nfs/dbraw/zinc/46/15/22/1091461522.db2.gz DSBPYWPJTYNALS-OAHLLOKOSA-N 0 0 301.386 3.427 20 10 DGCDRN O=C(NCc1ccccc1O)c1ccc(O[C@H]2CC2(F)F)cc1 ZINC001294926164 1091472147 /nfs/dbraw/zinc/47/21/47/1091472147.db2.gz YNWWNEPXOWRBCR-HNNXBMFYSA-N 0 0 319.307 3.109 20 10 DGCDRN COc1cc(C2(C(=O)NCc3ccccc3O)CC2)ccc1C ZINC001294925887 1091472317 /nfs/dbraw/zinc/47/23/17/1091472317.db2.gz UIYQJTRCHFERGO-UHFFFAOYSA-N 0 0 311.381 3.057 20 10 DGCDRN Cc1cc(C)c(CCNC(=O)c2ccc(C)c(O)c2O)c(C)c1 ZINC001295416831 1091563482 /nfs/dbraw/zinc/56/34/82/1091563482.db2.gz PPXMWOWSESVHOA-UHFFFAOYSA-N 0 0 313.397 3.304 20 10 DGCDRN Cc1nc(Cl)ccc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001139652724 1091635729 /nfs/dbraw/zinc/63/57/29/1091635729.db2.gz XEDHIJREELXPFZ-UHFFFAOYSA-N 0 0 317.736 3.458 20 10 DGCDRN CCOC(=O)[C@H]1C[C@H](C)CCN1Cc1ccc(N(C)C)c(C)c1 ZINC001139673450 1091640153 /nfs/dbraw/zinc/64/01/53/1091640153.db2.gz RTBLLKKMRVJBRR-RDTXWAMCSA-N 0 0 318.461 3.225 20 10 DGCDRN CC1CCC([NH+]2CCN(Cc3c(F)ccc(F)c3[O-])CC2)CC1 ZINC001139683804 1091641091 /nfs/dbraw/zinc/64/10/91/1091641091.db2.gz MEAAKGNQXGUAAV-UHFFFAOYSA-N 0 0 324.415 3.367 20 10 DGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001139684449 1091641227 /nfs/dbraw/zinc/64/12/27/1091641227.db2.gz UZNPEUNVSADIPC-ZDUSSCGKSA-N 0 0 323.314 3.463 20 10 DGCDRN Cc1ccc(N2CC[NH+](Cc3c(F)ccc(F)c3[O-])CC2)cc1 ZINC001139683196 1091641282 /nfs/dbraw/zinc/64/12/82/1091641282.db2.gz BGKHDNHOJYNGSR-UHFFFAOYSA-N 0 0 318.367 3.301 20 10 DGCDRN COc1ccc(C[N@H+](C)Cc2c(F)ccc(F)c2[O-])cc1OC ZINC001139685456 1091641342 /nfs/dbraw/zinc/64/13/42/1091641342.db2.gz YYEWHVKRFJHKQL-UHFFFAOYSA-N 0 0 323.339 3.320 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1ccncc1Cl)CCC2 ZINC001139849313 1091691053 /nfs/dbraw/zinc/69/10/53/1091691053.db2.gz GYNCIFPGLXBPHH-UHFFFAOYSA-N 0 0 304.777 3.095 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1csc(Cl)n1)CCC2 ZINC001139979354 1091729099 /nfs/dbraw/zinc/72/90/99/1091729099.db2.gz GANCDVUCOXLRPX-UHFFFAOYSA-N 0 0 310.806 3.156 20 10 DGCDRN CCOc1ccc(N2CCN(Cc3csc(C)n3)CC2)cc1 ZINC001206807925 1091749260 /nfs/dbraw/zinc/74/92/60/1091749260.db2.gz NPNNPHXGQCXMRS-UHFFFAOYSA-N 0 0 317.458 3.172 20 10 DGCDRN CCN(Cc1ccccc1O)c1c[nH]c2ncnc(Cl)c12 ZINC001154890009 1091785201 /nfs/dbraw/zinc/78/52/01/1091785201.db2.gz NWEFJEKAKQDHGW-UHFFFAOYSA-N 0 0 302.765 3.295 20 10 DGCDRN C[C@H]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1(F)F ZINC001140282732 1091816191 /nfs/dbraw/zinc/81/61/91/1091816191.db2.gz IQPRWDZNOCSFSF-AWEZNQCLSA-N 0 0 324.415 3.125 20 10 DGCDRN Oc1cccc(Cl)c1CN1CCc2cnc(C3CC3)nc2C1 ZINC001140342485 1091836011 /nfs/dbraw/zinc/83/60/11/1091836011.db2.gz LLLCNVHMQJEBHX-UHFFFAOYSA-N 0 0 315.804 3.271 20 10 DGCDRN OC[C@H]1CCC[C@@H](C(F)(F)F)N1Cc1ccc(Cl)cc1O ZINC001140461422 1091873992 /nfs/dbraw/zinc/87/39/92/1091873992.db2.gz LVVXMKDBJXULAU-YPMHNXCESA-N 0 0 323.742 3.323 20 10 DGCDRN Oc1cc(Cl)ccc1CN1CCOC[C@H]1Cc1ccccc1 ZINC001140464569 1091875511 /nfs/dbraw/zinc/87/55/11/1091875511.db2.gz VSBIBFKYGJAOQT-QGZVFWFLSA-N 0 0 317.816 3.489 20 10 DGCDRN COCc1cc(NCc2cc(F)c(F)cc2O)ccc1OC ZINC001207243041 1091898347 /nfs/dbraw/zinc/89/83/47/1091898347.db2.gz IBDCTJSGWFQTQF-UHFFFAOYSA-N 0 0 309.312 3.438 20 10 DGCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001140583690 1091919602 /nfs/dbraw/zinc/91/96/02/1091919602.db2.gz QVOSVTJWKZTTIX-GFCCVEGCSA-N 0 0 304.340 3.445 20 10 DGCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC001140583691 1091920319 /nfs/dbraw/zinc/92/03/19/1091920319.db2.gz QVOSVTJWKZTTIX-LBPRGKRZSA-N 0 0 304.340 3.445 20 10 DGCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001140585529 1091921746 /nfs/dbraw/zinc/92/17/46/1091921746.db2.gz MMYODSUZHQDFEK-AWEZNQCLSA-N 0 0 320.339 3.109 20 10 DGCDRN Cc1ccc(O[C@H]2CC[N@H+](Cc3c([O-])cc(F)cc3F)C2)nc1 ZINC001140585498 1091921926 /nfs/dbraw/zinc/92/19/26/1091921926.db2.gz KMZSHUGDUOLRFP-ZDUSSCGKSA-N 0 0 320.339 3.027 20 10 DGCDRN Cc1nc([C@@H]2COCCN2Cc2cc(C)ccc2O)cs1 ZINC001140620986 1091934722 /nfs/dbraw/zinc/93/47/22/1091934722.db2.gz FNTYAEULYGOMJK-HNNXBMFYSA-N 0 0 304.415 3.039 20 10 DGCDRN CCCN(CC(=O)OCC)Cc1ccc(N(CC)CC)cc1O ZINC001140855559 1092031247 /nfs/dbraw/zinc/03/12/47/1092031247.db2.gz FDNPUPNYZXKUCC-UHFFFAOYSA-N 0 0 322.449 3.014 20 10 DGCDRN Oc1ccc(CN2CCCc3cc(O)c(O)cc3C2)c(F)c1F ZINC001140892521 1092050117 /nfs/dbraw/zinc/05/01/17/1092050117.db2.gz QIAOLYXNUIMRAR-UHFFFAOYSA-N 0 0 321.323 3.030 20 10 DGCDRN CC(C)C[C@H](C)n1nccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001298809020 1092109389 /nfs/dbraw/zinc/10/93/89/1092109389.db2.gz HUPMHANSSZQZLP-LBPRGKRZSA-N 0 0 317.389 3.083 20 10 DGCDRN COc1cc(O)c(CN2CCCC[C@H]2C(F)(F)F)c(OC)c1 ZINC001141028415 1092111239 /nfs/dbraw/zinc/11/12/39/1092111239.db2.gz NNQOULHNSCWCMX-AWEZNQCLSA-N 0 0 319.323 3.326 20 10 DGCDRN CN1CCOc2cc(CN3Cc4cnc(Cl)cc4C3)ccc21 ZINC001141146313 1092149947 /nfs/dbraw/zinc/14/99/47/1092149947.db2.gz RXMLXTIQVPETRV-UHFFFAOYSA-N 0 0 315.804 3.079 20 10 DGCDRN CC(=O)c1ccc(NC(=O)C=Cc2ccc(O)c(O)c2)cc1C ZINC001141718784 1092321505 /nfs/dbraw/zinc/32/15/05/1092321505.db2.gz KEFRBOGCIYNJOK-XBXARRHUSA-N 0 0 311.337 3.261 20 10 DGCDRN Cc1cc(CC(=O)N(Cc2ccccc2)c2ccc(N)cc2)on1 ZINC001142211497 1092438032 /nfs/dbraw/zinc/43/80/32/1092438032.db2.gz DTOGVUYKMJPVIR-UHFFFAOYSA-N 0 0 321.380 3.341 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001142521006 1092493944 /nfs/dbraw/zinc/49/39/44/1092493944.db2.gz UHYWIFROIRHQFJ-CQSZACIVSA-N 0 0 323.314 3.463 20 10 DGCDRN CCOC(=O)c1ccc(C[N@@H+]2CCc3cccc(O)c3C2)cc1 ZINC001142599195 1092509229 /nfs/dbraw/zinc/50/92/29/1092509229.db2.gz CSNYYBLTFKSWOI-UHFFFAOYSA-N 0 0 311.381 3.127 20 10 DGCDRN COC(C)(C)C(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001143318882 1092655395 /nfs/dbraw/zinc/65/53/95/1092655395.db2.gz FEUSZEOZULVMFF-CVMUMOIMSA-N 0 0 313.361 3.030 20 10 DGCDRN O=C(NCC=C(Cl)Cl)NCc1cc(Cl)ccc1O ZINC001209426763 1092772088 /nfs/dbraw/zinc/77/20/88/1092772088.db2.gz NFQLRRGFQRKVTG-UHFFFAOYSA-N 0 0 309.580 3.164 20 10 DGCDRN Cc1cccc2oc(C(=O)NCCc3ccc(O)c(O)c3)cc21 ZINC001150487524 1092784939 /nfs/dbraw/zinc/78/49/39/1092784939.db2.gz FPNPWMIZSGFQLV-UHFFFAOYSA-N 0 0 311.337 3.125 20 10 DGCDRN COC(=O)[C@@H]1CCCN1Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001209517908 1092805784 /nfs/dbraw/zinc/80/57/84/1092805784.db2.gz IAQLXYVRBKFUOQ-SFHVURJKSA-N 0 0 312.413 3.232 20 10 DGCDRN COCCOc1ccc(F)cc1Nc1ccc2c(c1)OCCN2 ZINC001209766750 1092911432 /nfs/dbraw/zinc/91/14/32/1092911432.db2.gz VDNGXRHPTNGXGT-UHFFFAOYSA-N 0 0 318.348 3.399 20 10 DGCDRN CC1(C)NC(=O)Cc2cc(Nc3ccc4c(c3)OCCN4)ccc21 ZINC001209788722 1092924475 /nfs/dbraw/zinc/92/44/75/1092924475.db2.gz GQAPTTFUBCKEQQ-UHFFFAOYSA-N 0 0 323.396 3.142 20 10 DGCDRN Nc1ccc(N(CCO)c2ccc(O)c(C(F)(F)F)c2)cc1 ZINC001209985959 1093005230 /nfs/dbraw/zinc/00/52/30/1093005230.db2.gz NSZUNUQXFHFLHK-UHFFFAOYSA-N 0 0 312.291 3.124 20 10 DGCDRN Cc1ncc(-n2c(=N)ccc(/N=N/c3ccccc3)c2N)cc1N ZINC001210287593 1093108331 /nfs/dbraw/zinc/10/83/31/1093108331.db2.gz XWOIPBAQSVGDJP-GFIZNMFYSA-N 0 0 319.372 3.240 20 10 DGCDRN Nc1ccc(OC(=O)c2ccc(Nc3cncc(N)c3)cc2)cc1 ZINC001210441107 1093165795 /nfs/dbraw/zinc/16/57/95/1093165795.db2.gz FCMFCSRNCLXBFO-UHFFFAOYSA-N 0 0 320.352 3.209 20 10 DGCDRN COC(=O)c1ncc(N(c2ccccc2)c2ccc(N)cc2)cn1 ZINC001211158323 1093395255 /nfs/dbraw/zinc/39/52/55/1093395255.db2.gz NDRQZCFQJYLFTR-UHFFFAOYSA-N 0 0 320.352 3.315 20 10 DGCDRN COc1cnccc1-n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001211260256 1093435437 /nfs/dbraw/zinc/43/54/37/1093435437.db2.gz NGBCEKQUHRVERW-QNUODCBWSA-N 0 0 320.356 3.358 20 10 DGCDRN CCOc1ccccc1NC(=O)NCc1c(O)cccc1F ZINC001214492675 1093786030 /nfs/dbraw/zinc/78/60/30/1093786030.db2.gz GYYGOWJJEWKKNX-UHFFFAOYSA-N 0 0 304.321 3.252 20 10 DGCDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1ccccc1O ZINC001214561884 1093798916 /nfs/dbraw/zinc/79/89/16/1093798916.db2.gz CODXURYNEZFUQW-NSHDSACASA-N 0 0 315.329 3.492 20 10 DGCDRN Cc1ccc(C[NH2+]Cc2cccc(Br)c2[O-])nc1 ZINC000400931490 1093927343 /nfs/dbraw/zinc/92/73/43/1093927343.db2.gz KYKPEUPJUCDIRL-UHFFFAOYSA-N 0 0 307.191 3.148 20 10 DGCDRN Oc1ccc(-c2nc(-c3ccc4ccncc4c3)no2)cc1O ZINC001215304499 1093955719 /nfs/dbraw/zinc/95/57/19/1093955719.db2.gz PPHNQMYJBJATIN-UHFFFAOYSA-N 0 0 305.293 3.363 20 10 DGCDRN Oc1ccc(-c2nc(-c3ccccc3-c3cnco3)no2)cc1O ZINC001215304236 1093955737 /nfs/dbraw/zinc/95/57/37/1093955737.db2.gz HSIKNLXNIRSKPJ-UHFFFAOYSA-N 0 0 321.292 3.470 20 10 DGCDRN Cc1cc(-c2noc(-c3cc(O)c(O)c(O)c3)n2)c(F)cc1F ZINC001215327459 1093961866 /nfs/dbraw/zinc/96/18/66/1093961866.db2.gz BRIWKFULEWRBFZ-UHFFFAOYSA-N 0 0 320.251 3.107 20 10 DGCDRN Oc1cc(-c2nc(-c3ccc(F)cc3Cl)no2)cc(O)c1O ZINC001215327625 1093961916 /nfs/dbraw/zinc/96/19/16/1093961916.db2.gz LCKUVKPNYGZNPX-UHFFFAOYSA-N 0 0 322.679 3.313 20 10 DGCDRN Cc1ccc(-c2noc(-c3cc(O)c(O)c(O)c3)n2)cc1Cl ZINC001215327623 1093961931 /nfs/dbraw/zinc/96/19/31/1093961931.db2.gz LAZCGHNNQIZWHF-UHFFFAOYSA-N 0 0 318.716 3.482 20 10 DGCDRN Nc1ccc(Nc2cccc(Cl)c2CN2CCOCC2)cc1 ZINC001215715657 1094038105 /nfs/dbraw/zinc/03/81/05/1094038105.db2.gz CVMUGKYXMUMCAI-UHFFFAOYSA-N 0 0 317.820 3.498 20 10 DGCDRN Cc1ccc(N)cc1S(=O)(=O)Nc1ccc(O)c(C(C)C)c1 ZINC001215845537 1094072991 /nfs/dbraw/zinc/07/29/91/1094072991.db2.gz FQPSBPVUPNEYHL-UHFFFAOYSA-N 0 0 320.414 3.207 20 10 DGCDRN CSc1ncc(Cl)cc1N(CCO)c1ccc(N)cc1 ZINC001215917629 1094085591 /nfs/dbraw/zinc/08/55/91/1094085591.db2.gz JXKKQKIDIHVABQ-UHFFFAOYSA-N 0 0 309.822 3.170 20 10 DGCDRN Nc1ccc(OC(F)(F)F)cc1Nc1cccc(O)c1O ZINC001216016168 1094106900 /nfs/dbraw/zinc/10/69/00/1094106900.db2.gz SKFZNXKTTFMHIL-UHFFFAOYSA-N 0 0 300.236 3.322 20 10 DGCDRN COc1ncc(N(c2ccc(N)cc2)c2ccc(N)cc2)cc1O ZINC001216210515 1094147491 /nfs/dbraw/zinc/14/74/91/1094147491.db2.gz KUWDJTJRWJQNIA-UHFFFAOYSA-N 0 0 322.368 3.430 20 10 DGCDRN CS(=O)(=O)N(c1ccc(N)cc1)c1ccc(F)c2ccoc21 ZINC001216297620 1094169192 /nfs/dbraw/zinc/16/91/92/1094169192.db2.gz WEUZCCDFPKFBNN-UHFFFAOYSA-N 0 0 320.345 3.252 20 10 DGCDRN CCc1cccc(-c2noc(-c3cc(O)c(O)c(OC)c3)n2)c1 ZINC001216944063 1094282512 /nfs/dbraw/zinc/28/25/12/1094282512.db2.gz FWEZPBXRUHFMCZ-UHFFFAOYSA-N 0 0 312.325 3.386 20 10 DGCDRN COc1ccc(N2CCN(c3cc(F)cc(C)n3)CC2)cc1F ZINC001120906166 1094551269 /nfs/dbraw/zinc/55/12/69/1094551269.db2.gz CKWYBCRIZBGAOG-UHFFFAOYSA-N 0 0 319.355 3.003 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)c1ccnn1C1CCC1 ZINC001336298199 1094618779 /nfs/dbraw/zinc/61/87/79/1094618779.db2.gz BVPYTYKTCOKYBJ-UHFFFAOYSA-N 0 0 317.736 3.050 20 10 DGCDRN Cn1c(C2SC=CC2=O)nnc1N1CCCC2(CC2)CC1 ZINC001121274130 1094639026 /nfs/dbraw/zinc/63/90/26/1094639026.db2.gz MJHXEULOWIZUFR-UHFFFAOYSA-N 0 0 304.419 3.020 20 10 DGCDRN CCC/C=C/[C@@H](O)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC001135732849 1094656354 /nfs/dbraw/zinc/65/63/54/1094656354.db2.gz ISSLNFRYGXYAPS-QZEKMECESA-N 0 0 318.461 3.208 20 10 DGCDRN C[C@H]1CCC(F)(F)CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC001336686573 1094695458 /nfs/dbraw/zinc/69/54/58/1094695458.db2.gz FQORAVXBZPATKJ-LBPRGKRZSA-N 0 0 311.376 3.082 20 10 DGCDRN Nc1ccc(CNC(=O)N[C@@H](c2cccs2)C2CC2)cc1 ZINC001336720308 1094708071 /nfs/dbraw/zinc/70/80/71/1094708071.db2.gz DXHYNWBMCDXTIZ-OAHLLOKOSA-N 0 0 301.415 3.281 20 10 DGCDRN CC(C)Oc1ccc(CNC(=O)NCc2ccc(N)cc2)cc1 ZINC001336749214 1094721981 /nfs/dbraw/zinc/72/19/81/1094721981.db2.gz RRNCJKCANQZDPB-UHFFFAOYSA-N 0 0 313.401 3.055 20 10 DGCDRN O=C1c2ccccc2C(=O)c2cc(OC3CCC(O)CC3)ccc21 ZINC001218368290 1094738389 /nfs/dbraw/zinc/73/83/89/1094738389.db2.gz IWLAQCUCBMCJSR-UHFFFAOYSA-N 0 0 322.360 3.144 20 10 DGCDRN COCc1cc(NCc2c(O)cccc2F)nc(C(C)(C)C)n1 ZINC001336837344 1094753501 /nfs/dbraw/zinc/75/35/01/1094753501.db2.gz SDRDOVDPFHDHRT-UHFFFAOYSA-N 0 0 319.380 3.377 20 10 DGCDRN Nc1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2F)cc1 ZINC001336926066 1094785563 /nfs/dbraw/zinc/78/55/63/1094785563.db2.gz OWQMJBBKUAAUDK-IAGOWNOFSA-N 0 0 313.376 3.094 20 10 DGCDRN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001135997501 1094790145 /nfs/dbraw/zinc/79/01/45/1094790145.db2.gz NAYOYTVGNCCZEI-NSHDSACASA-N 0 0 308.341 3.440 20 10 DGCDRN Nc1ccc(CC(=O)Nc2ccncc2Oc2ccccc2)cc1 ZINC001218512460 1094825424 /nfs/dbraw/zinc/82/54/24/1094825424.db2.gz WKKGFQPYZNTYTI-UHFFFAOYSA-N 0 0 319.364 3.059 20 10 DGCDRN CC[C@@H](F)C(=O)N(CC)Cc1cc(Br)ccc1O ZINC001337132453 1094866406 /nfs/dbraw/zinc/86/64/06/1094866406.db2.gz JKBIZBTURBAPAZ-LLVKDONJSA-N 0 0 318.186 3.251 20 10 DGCDRN COc1ccc(-n2cccc2)c(NC(=O)Cc2ccc(N)cc2)c1 ZINC001218870125 1094894606 /nfs/dbraw/zinc/89/46/06/1094894606.db2.gz STFSYKVMYWYNCJ-UHFFFAOYSA-N 0 0 321.380 3.249 20 10 DGCDRN Cc1c(Cl)cncc1NC(=O)N1Cc2cccc(O)c2C1 ZINC001218884049 1094895232 /nfs/dbraw/zinc/89/52/32/1094895232.db2.gz IETYUAPSKNCAPE-UHFFFAOYSA-N 0 0 303.749 3.297 20 10 DGCDRN Oc1cc(Br)ccc1CN[C@H]1CCCC1(F)F ZINC000691425763 1094942027 /nfs/dbraw/zinc/94/20/27/1094942027.db2.gz DZNFAUOLVJHJCT-NSHDSACASA-N 0 0 306.150 3.432 20 10 DGCDRN Nc1ccc(CC(=O)Nc2cccc(C(F)(F)F)c2O)cc1 ZINC001219312619 1094962438 /nfs/dbraw/zinc/96/24/38/1094962438.db2.gz GGIDLMWKLPXSFK-UHFFFAOYSA-N 0 0 310.275 3.174 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(F)c(O)c2)cc1 ZINC001136300235 1094979799 /nfs/dbraw/zinc/97/97/99/1094979799.db2.gz JREKGPWAZQAJJZ-UHFFFAOYSA-N 0 0 316.376 3.308 20 10 DGCDRN C[C@H](NCc1cc(Br)ccc1O)c1cscn1 ZINC000697935124 1095053392 /nfs/dbraw/zinc/05/33/92/1095053392.db2.gz IKINGCNWOSKJPR-QMMMGPOBSA-N 0 0 313.220 3.462 20 10 DGCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2C[C@H]2F)cc1 ZINC001337915524 1095137923 /nfs/dbraw/zinc/13/79/23/1095137923.db2.gz GYLFTOHQYMRTLH-IAGOWNOFSA-N 0 0 316.376 3.232 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC[C@@H]2CCC[C@H]2C2CC2)cc1 ZINC001221011765 1095186605 /nfs/dbraw/zinc/18/66/05/1095186605.db2.gz WPUXNCVAQQNCET-WMZOPIPTSA-N 0 0 315.461 3.378 20 10 DGCDRN C[C@@H](CNC(=O)NCc1c(O)cccc1F)c1ccc(F)cc1 ZINC001221617416 1095314440 /nfs/dbraw/zinc/31/44/40/1095314440.db2.gz PMOWKAIDSYBUAV-NSHDSACASA-N 0 0 320.339 3.273 20 10 DGCDRN COc1cc(Cl)ccc1-c1noc(-c2cccc(O)c2O)n1 ZINC000318984616 1095370048 /nfs/dbraw/zinc/37/00/48/1095370048.db2.gz KKHRIFOPVNJKBA-UHFFFAOYSA-N 0 0 318.716 3.477 20 10 DGCDRN Nc1ccc(CNC(=O)N[C@H]2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC001338730528 1095372737 /nfs/dbraw/zinc/37/27/37/1095372737.db2.gz BKSYPNTUUWPEIM-HKUYNNGSSA-N 0 0 323.440 3.479 20 10 DGCDRN Cn1c(C2SC=CC2=O)nnc1N1CCC[C@@H]2CCC[C@H]21 ZINC001338750740 1095379748 /nfs/dbraw/zinc/37/97/48/1095379748.db2.gz NXEJUKWYDZYWGJ-WDEREUQCSA-N 0 0 304.419 3.018 20 10 DGCDRN CC(C)Cc1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)n[nH]1 ZINC001143793106 1095387095 /nfs/dbraw/zinc/38/70/95/1095387095.db2.gz AOIWBMVNXLCAHZ-UHFFFAOYSA-N 0 0 314.349 3.023 20 10 DGCDRN C[C@H](NC(=O)c1c(F)ccnc1Cl)c1ccc(N(C)C)cc1 ZINC001123789947 1095436327 /nfs/dbraw/zinc/43/63/27/1095436327.db2.gz NQJVDADJLMUVDU-JTQLQIEISA-N 0 0 321.783 3.431 20 10 DGCDRN CN(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001338928171 1095439342 /nfs/dbraw/zinc/43/93/42/1095439342.db2.gz CCFZCXNOVOOZOM-STQMWFEESA-N 0 0 300.805 3.147 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cnc(C(C)C)[nH]2)cc1 ZINC001116124237 1095462397 /nfs/dbraw/zinc/46/23/97/1095462397.db2.gz AIBBUZWFLLOQPA-UHFFFAOYSA-N 0 0 314.433 3.309 20 10 DGCDRN CC(C)[C@@H](Cc1ccccc1)C(=O)NCc1cccc(O)c1O ZINC001123889991 1095472934 /nfs/dbraw/zinc/47/29/34/1095472934.db2.gz SUDFSLUDMQBODI-MRXNPFEDSA-N 0 0 313.397 3.229 20 10 DGCDRN CC[C@H](C)n1nccc1C(=O)NCc1cccc(Cl)c1O ZINC001124070996 1095532299 /nfs/dbraw/zinc/53/22/99/1095532299.db2.gz VBHQVLBKIOTMLL-JTQLQIEISA-N 0 0 307.781 3.143 20 10 DGCDRN CCOCc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC001116509815 1095582929 /nfs/dbraw/zinc/58/29/29/1095582929.db2.gz CQRQYQDHOPNSQK-POHAHGRESA-N 0 0 313.353 3.286 20 10 DGCDRN COc1ccc(CN2CCC[C@@]3(CCCC[NH2+]3)C2)c([O-])c1Cl ZINC001222396234 1095592454 /nfs/dbraw/zinc/59/24/54/1095592454.db2.gz PENSMXZSRZNHDO-KRWDZBQOSA-N 0 0 324.852 3.162 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cc(C(F)(F)F)ccn2)cc1 ZINC001124479479 1095598351 /nfs/dbraw/zinc/59/83/51/1095598351.db2.gz DOXOZILOJTYPNR-UHFFFAOYSA-N 0 0 323.318 3.096 20 10 DGCDRN Oc1ccc(Br)cc1CNc1ccc(=S)[nH]c1 ZINC001171177864 1095647500 /nfs/dbraw/zinc/64/75/00/1095647500.db2.gz LBNWJJDIPJVALO-UHFFFAOYSA-N 0 0 311.204 3.451 20 10 DGCDRN COc1cc(C(N)=O)ccc1-c1ccc(-n2c(C)ccc2C)nc1 ZINC001222564759 1095670922 /nfs/dbraw/zinc/67/09/22/1095670922.db2.gz POYLLXFKHDEFDN-UHFFFAOYSA-N 0 0 321.380 3.264 20 10 DGCDRN COc1ccc(CNC(=O)N[C@H](C)c2cc(C)oc2C)c(O)c1 ZINC001116876866 1095686964 /nfs/dbraw/zinc/68/69/64/1095686964.db2.gz DUUHGMICADXQJC-LLVKDONJSA-N 0 0 318.373 3.171 20 10 DGCDRN CC(C)c1nc(CN(C)Cc2c(O)cc(O)cc2O)cs1 ZINC001144514527 1095701052 /nfs/dbraw/zinc/70/10/52/1095701052.db2.gz JJEXYSWCFRLYCD-UHFFFAOYSA-N 0 0 308.403 3.015 20 10 DGCDRN CC[C@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1ccc(F)cc1[O-] ZINC001117140051 1095720094 /nfs/dbraw/zinc/72/00/94/1095720094.db2.gz YXLVUPTVDQCHMP-BBRMVZONSA-N 0 0 322.424 3.221 20 10 DGCDRN CCOC(=O)CN(Cc1ccsc1)Cc1c(O)cccc1F ZINC001137838580 1095757957 /nfs/dbraw/zinc/75/79/57/1095757957.db2.gz CZSCGPDEHGANTF-UHFFFAOYSA-N 0 0 323.389 3.158 20 10 DGCDRN COc1ccc2c(c1)C[N@@H+](Cc1c([O-])cccc1F)CCC2 ZINC001137841652 1095759534 /nfs/dbraw/zinc/75/95/34/1095759534.db2.gz OEVYXZGPIGOCIZ-UHFFFAOYSA-N 0 0 301.361 3.488 20 10 DGCDRN Oc1cccc(F)c1CN1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001137840392 1095759613 /nfs/dbraw/zinc/75/96/13/1095759613.db2.gz ZGADRCFMFABUTF-KRWDZBQOSA-N 0 0 323.314 3.383 20 10 DGCDRN Cc1cc(CN2CCn3cncc3C2)c(C)n1-c1ccccc1 ZINC001137859310 1095769036 /nfs/dbraw/zinc/76/90/36/1095769036.db2.gz SNUHFVQUQGJQJW-UHFFFAOYSA-N 0 0 306.413 3.306 20 10 DGCDRN Cc1cc(CN2CCn3nccc3C2)c(C)n1-c1ccccc1 ZINC001137859083 1095769681 /nfs/dbraw/zinc/76/96/81/1095769681.db2.gz IBCNFKLGRKSPRG-UHFFFAOYSA-N 0 0 306.413 3.306 20 10 DGCDRN COc1ccc(C(=O)Nc2c3nonc3ccc2Cl)c(C)c1 ZINC001117507487 1095775295 /nfs/dbraw/zinc/77/52/95/1095775295.db2.gz MVYKOIFFRUBASD-UHFFFAOYSA-N 0 0 317.732 3.446 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)c1ccncc1Cl ZINC001117507599 1095776048 /nfs/dbraw/zinc/77/60/48/1095776048.db2.gz QQETWDJBJCFSLF-UHFFFAOYSA-N 0 0 309.112 3.177 20 10 DGCDRN COC(C[N@H+](Cc1ccccc1)Cc1cccc(F)c1[O-])OC ZINC001138122372 1095894492 /nfs/dbraw/zinc/89/44/92/1095894492.db2.gz ABDHZNGOZIZISU-UHFFFAOYSA-N 0 0 319.376 3.152 20 10 DGCDRN CN(CC[N@H+](C)Cc1cccc(F)c1[O-])Cc1ccccc1 ZINC001138130913 1095897378 /nfs/dbraw/zinc/89/73/78/1095897378.db2.gz LDAYPNFDEGMGMJ-UHFFFAOYSA-N 0 0 302.393 3.095 20 10 DGCDRN CCCc1noc([C@H]2CCC[N@H+](Cc3cccc(F)c3[O-])C2)n1 ZINC001138128399 1095897779 /nfs/dbraw/zinc/89/77/79/1095897779.db2.gz HNPBOXAPBGXQPC-ZDUSSCGKSA-N 0 0 319.380 3.246 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCC[C@H](F)C2)cc1 ZINC001118127692 1095939092 /nfs/dbraw/zinc/93/90/92/1095939092.db2.gz MSYGHUBNTNAHBZ-GJZGRUSLSA-N 0 0 307.413 3.175 20 10 DGCDRN Nc1ccc(Cc2nc(C(=O)N[C@H]3C=CCCC3)cs2)cc1 ZINC001118283662 1095976328 /nfs/dbraw/zinc/97/63/28/1095976328.db2.gz DLNNKAUMLHURIM-AWEZNQCLSA-N 0 0 313.426 3.155 20 10 DGCDRN Cc1cnccc1/C=C/C(=O)NCc1cc(Cl)ccc1O ZINC001146232999 1096008710 /nfs/dbraw/zinc/00/87/10/1096008710.db2.gz OXSKTIPZVQJOPC-GORDUTHDSA-N 0 0 302.761 3.079 20 10 DGCDRN [O-]c1c(Br)cccc1C[NH2+]C1CC2(CC2(F)F)C1 ZINC001118629531 1096049874 /nfs/dbraw/zinc/04/98/74/1096049874.db2.gz UPGZEPJKPFNEHG-UHFFFAOYSA-N 0 0 318.161 3.432 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N(C)Cc1ccccc1 ZINC001340902308 1096064921 /nfs/dbraw/zinc/06/49/21/1096064921.db2.gz GVSOGZQZLRJQMS-UHFFFAOYSA-N 0 0 314.414 3.369 20 10 DGCDRN Cc1cc(CNC(=O)[C@H](C)n2ccnc2)c(C)n1-c1ccccc1 ZINC001118953067 1096110298 /nfs/dbraw/zinc/11/02/98/1096110298.db2.gz MGFARNDUTCYCQG-INIZCTEOSA-N 0 0 322.412 3.168 20 10 DGCDRN O=C(CC1Cc2ccccc2C1)N1CCc2cccc(O)c2C1 ZINC001146802723 1096116441 /nfs/dbraw/zinc/11/64/41/1096116441.db2.gz IZQGDADPFWCUGE-UHFFFAOYSA-N 0 0 307.393 3.082 20 10 DGCDRN C[C@H]1c2ccccc2CN1c1nnc(C2SC=CC2=O)n1C ZINC001341281701 1096146597 /nfs/dbraw/zinc/14/65/97/1096146597.db2.gz XHJUJKVPOPQCLQ-JTQLQIEISA-N 0 0 312.398 3.330 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)c1ccn(C)c1 ZINC001147017095 1096155600 /nfs/dbraw/zinc/15/56/00/1096155600.db2.gz KHERQSJMPWUVHZ-QGZVFWFLSA-N 0 0 312.413 3.401 20 10 DGCDRN C[C@H]1CC[C@@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC001119326443 1096168009 /nfs/dbraw/zinc/16/80/09/1096168009.db2.gz NTZAWWRLXUAAMT-SMDDNHRTSA-N 0 0 315.442 3.235 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NCCCC(F)F)cc1 ZINC001119671472 1096244027 /nfs/dbraw/zinc/24/40/27/1096244027.db2.gz LGXXUBAMINQLIF-UHFFFAOYSA-N 0 0 313.392 3.377 20 10 DGCDRN CC(C)(C)n1cc(NC(=O)NCc2cccc(Cl)c2O)cn1 ZINC001119760339 1096257011 /nfs/dbraw/zinc/25/70/11/1096257011.db2.gz GBSYOUPCWGMLND-UHFFFAOYSA-N 0 0 322.796 3.319 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cccn2Cc2ccccc2)c1 ZINC001147957295 1096297574 /nfs/dbraw/zinc/29/75/74/1096297574.db2.gz PSCSLNZXFFJRHY-UHFFFAOYSA-N 0 0 320.392 3.480 20 10 DGCDRN O=C(Nc1cncc(-c2ccccc2)c1)c1cccc(O)c1O ZINC001148212173 1096327631 /nfs/dbraw/zinc/32/76/31/1096327631.db2.gz PLCGRCKSXDRBNC-UHFFFAOYSA-N 0 0 306.321 3.412 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCC[C@H]1c1ccc(F)cc1F ZINC001148218787 1096327724 /nfs/dbraw/zinc/32/77/24/1096327724.db2.gz LFZLKNYPLWOYJL-AWEZNQCLSA-N 0 0 319.307 3.353 20 10 DGCDRN CCCc1nc2ccc(NC(=O)c3cccc(O)c3O)cc2o1 ZINC001148218880 1096327881 /nfs/dbraw/zinc/32/78/81/1096327881.db2.gz LSPLPZLSHYWOLS-UHFFFAOYSA-N 0 0 312.325 3.444 20 10 DGCDRN O=C(Nc1cc(-c2ccc(F)cc2)no1)c1cccc(O)c1O ZINC001148213183 1096328274 /nfs/dbraw/zinc/32/82/74/1096328274.db2.gz ZPAHKRKAIMOIGC-UHFFFAOYSA-N 0 0 314.272 3.144 20 10 DGCDRN CC[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(F)c(F)c1 ZINC001148224544 1096329333 /nfs/dbraw/zinc/32/93/33/1096329333.db2.gz OVINLCQFVOBTGC-CYBMUJFWSA-N 0 0 307.296 3.257 20 10 DGCDRN C[C@H]1CC[C@H](CNC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC001225138374 1096352067 /nfs/dbraw/zinc/35/20/67/1096352067.db2.gz HFPDONBGTLCUDJ-GJZGRUSLSA-N 0 0 315.461 3.304 20 10 DGCDRN CC(C)N(C(=O)c1cc(O)c(O)c(O)c1)[C@@H](C)c1ccccc1 ZINC001148587144 1096407364 /nfs/dbraw/zinc/40/73/64/1096407364.db2.gz DOIJBXRKTHNZEE-LBPRGKRZSA-N 0 0 315.369 3.415 20 10 DGCDRN CC(C)(C)c1cccc(NC(=O)c2cc(O)c(O)c(O)c2)c1 ZINC001148587276 1096407594 /nfs/dbraw/zinc/40/75/94/1096407594.db2.gz GNVZPFVRPQABKE-UHFFFAOYSA-N 0 0 301.342 3.353 20 10 DGCDRN CC(C)=CCC/C(C)=C/CNC(=O)c1cc(O)c(O)c(O)c1 ZINC001148590100 1096408938 /nfs/dbraw/zinc/40/89/38/1096408938.db2.gz XCCQEAXLKMZQKT-KPKJPENVSA-N 0 0 305.374 3.226 20 10 DGCDRN Cc1nc(NCc2cc3ccccc3cc2O)nc2nc[nH]c21 ZINC001171399077 1096660081 /nfs/dbraw/zinc/66/00/81/1096660081.db2.gz AYBJGEYKVKUBQN-UHFFFAOYSA-N 0 0 305.341 3.084 20 10 DGCDRN C[C@H](NC(=O)c1ccnc(C(F)(F)F)c1)c1ccccc1O ZINC001171731173 1096956513 /nfs/dbraw/zinc/95/65/13/1096956513.db2.gz ZOGIVZMKPBLONY-VIFPVBQESA-N 0 0 310.275 3.297 20 10 DGCDRN O=C1CCCC[C@@H]1Oc1cccc2c1C(=O)c1ccccc1C2=O ZINC001228079402 1097046305 /nfs/dbraw/zinc/04/63/05/1097046305.db2.gz NXJGWKWZLUFDFY-INIZCTEOSA-N 0 0 320.344 3.353 20 10 DGCDRN CC[C@H](C)[C@H](C)Oc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC001228201763 1097072628 /nfs/dbraw/zinc/07/26/28/1097072628.db2.gz PVWPYJWFWOADOM-GJZGRUSLSA-N 0 0 304.434 3.169 20 10 DGCDRN O=C1CCc2c1cccc2-c1noc(-c2nnsc2C2CC2)n1 ZINC001212679781 1097229098 /nfs/dbraw/zinc/22/90/98/1097229098.db2.gz UNMJWYXFGCLEFA-UHFFFAOYSA-N 0 0 324.365 3.261 20 10 DGCDRN COc1cccc(-c2noc(-c3nnsc3C(C)C)n2)c1 ZINC001212687366 1097259656 /nfs/dbraw/zinc/25/96/56/1097259656.db2.gz PFNPQUAAVZRJIL-UHFFFAOYSA-N 0 0 302.359 3.387 20 10 DGCDRN C[C@H](CCN(C)C(=O)OC(C)(C)C)[N@H+](C)Cc1ccccc1O ZINC001172971888 1097295169 /nfs/dbraw/zinc/29/51/69/1097295169.db2.gz RDTSXGPMRMSBNZ-CQSZACIVSA-N 0 0 322.449 3.470 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H](C)c1nc2ccccc2[nH]1)c1ccccc1O ZINC001230265502 1097465961 /nfs/dbraw/zinc/46/59/61/1097465961.db2.gz QVLZTFVIAZHHOF-NEPJUHHUSA-N 0 0 324.384 3.390 20 10 DGCDRN CC(C)c1ccccc1N(c1ccc(N)cc1)S(C)(=O)=O ZINC001174047207 1097599933 /nfs/dbraw/zinc/59/99/33/1097599933.db2.gz VHEIYRFVXREMBQ-UHFFFAOYSA-N 0 0 304.415 3.490 20 10 DGCDRN CCN(CC)C(=O)c1cccc(Nc2cccc(O)c2O)c1 ZINC001174167742 1097630828 /nfs/dbraw/zinc/63/08/28/1097630828.db2.gz XVBQVSHSBFIWOH-UHFFFAOYSA-N 0 0 300.358 3.323 20 10 DGCDRN CC(C)Oc1ccc([N+](=O)[O-])c2c1C(=O)c1ccccc1C2=O ZINC001231253525 1097703552 /nfs/dbraw/zinc/70/35/52/1097703552.db2.gz MMYVKRQIDINXRT-UHFFFAOYSA-N 0 0 311.293 3.157 20 10 DGCDRN CS(=O)(=O)N(c1ccc(N)cc1)c1ccc2occc2c1 ZINC001174417389 1097706331 /nfs/dbraw/zinc/70/63/31/1097706331.db2.gz GCNIOTCHJFSKAL-UHFFFAOYSA-N 0 0 302.355 3.113 20 10 DGCDRN COc1ccc(Cn2cc(Nc3cccc(O)c3O)cn2)cc1 ZINC001174437315 1097714416 /nfs/dbraw/zinc/71/44/16/1097714416.db2.gz ISJBCRYUWIPYLN-UHFFFAOYSA-N 0 0 311.341 3.095 20 10 DGCDRN Oc1cc(OCc2ccccc2)ccc1CN1C[C@@H](F)[C@@H](F)C1 ZINC001231468222 1097755070 /nfs/dbraw/zinc/75/50/70/1097755070.db2.gz SQJLUUVEPOEFPE-CALCHBBNSA-N 0 0 319.351 3.463 20 10 DGCDRN O=C([O-])c1ccc(O)c(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC001231563532 1097779518 /nfs/dbraw/zinc/77/95/18/1097779518.db2.gz CCSXHTJJLQXEIG-AWEZNQCLSA-N 0 0 315.344 3.219 20 10 DGCDRN COc1ccc([C@@H](C)[N@H+](C)Cc2cc(C(=O)[O-])ccc2O)cc1 ZINC001231565784 1097780773 /nfs/dbraw/zinc/78/07/73/1097780773.db2.gz JZTGQASHEFWRPT-GFCCVEGCSA-N 0 0 315.369 3.292 20 10 DGCDRN Cc1cccc(C[N@@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)c1O ZINC001231591294 1097786985 /nfs/dbraw/zinc/78/69/85/1097786985.db2.gz ZQTMFJZHZQGOHZ-AWEZNQCLSA-N 0 0 307.390 3.227 20 10 DGCDRN COc1cc(N(C)C)ccc1CN(C)Cc1cnc2ccccn12 ZINC001231848505 1097863350 /nfs/dbraw/zinc/86/33/50/1097863350.db2.gz HQBFUFPXGYPHDN-UHFFFAOYSA-N 0 0 324.428 3.041 20 10 DGCDRN COc1cc(N(C)C)ccc1CN1Cc2ccc(F)cc2C1 ZINC001231853610 1097864644 /nfs/dbraw/zinc/86/46/44/1097864644.db2.gz MPTGUBTVDFCOAX-UHFFFAOYSA-N 0 0 300.377 3.416 20 10 DGCDRN COc1cc(N(C)C)ccc1C[NH+]1CCc2ccccc2CC1 ZINC001231853714 1097865205 /nfs/dbraw/zinc/86/52/05/1097865205.db2.gz OTRKBUAHTFYHJY-UHFFFAOYSA-N 0 0 310.441 3.362 20 10 DGCDRN COc1cc(N(C)C)ccc1CN1Cc2cccc(F)c2C1 ZINC001231854046 1097865849 /nfs/dbraw/zinc/86/58/49/1097865849.db2.gz XCXIQSDBJBDOOR-UHFFFAOYSA-N 0 0 300.377 3.416 20 10 DGCDRN COc1cc(N(C)C)ccc1CN1CCOC2(CCCCC2)C1 ZINC001231855606 1097866398 /nfs/dbraw/zinc/86/63/98/1097866398.db2.gz WXGWKUWFNSDYDW-UHFFFAOYSA-N 0 0 318.461 3.296 20 10 DGCDRN COc1cc(N(C)C)ccc1CN1CCc2ncc(C)cc2C1 ZINC001231858643 1097866650 /nfs/dbraw/zinc/86/66/50/1097866650.db2.gz XTHKBLXDRDVINR-UHFFFAOYSA-N 0 0 311.429 3.023 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1ccnc(C(F)F)c1)CCC2 ZINC001231891995 1097881743 /nfs/dbraw/zinc/88/17/43/1097881743.db2.gz OKDIMWHWECCLNU-UHFFFAOYSA-N 0 0 320.339 3.379 20 10 DGCDRN [O-]c1c(Cl)cccc1CN1CCCC[C@H]1C[NH+]1CCCC1 ZINC001231912150 1097889615 /nfs/dbraw/zinc/88/96/15/1097889615.db2.gz WAKULWBSZNQGKS-HNNXBMFYSA-N 0 0 308.853 3.496 20 10 DGCDRN Oc1cc(O)c(CN2CCCC(F)(F)[C@H](F)C2)cc1Cl ZINC001232259532 1097985188 /nfs/dbraw/zinc/98/51/88/1097985188.db2.gz KLANRKMRQIQQMJ-GFCCVEGCSA-N 0 0 309.715 3.320 20 10 DGCDRN COc1cc(O)c(CN2CCc3ccncc3C2)cc1Cl ZINC001232269897 1097989034 /nfs/dbraw/zinc/98/90/34/1097989034.db2.gz MLUQZDBBAATYCW-UHFFFAOYSA-N 0 0 304.777 3.008 20 10 DGCDRN COC(=O)c1c(CN2CCCC(F)(F)C2)c2ccccc2n1C ZINC001232402478 1098028823 /nfs/dbraw/zinc/02/88/23/1098028823.db2.gz WSWQMAZCPUEEAQ-UHFFFAOYSA-N 0 0 322.355 3.196 20 10 DGCDRN O=C1c2ccccc2C(=O)c2cc(Nc3cncs3)c(O)cc21 ZINC001175498161 1098064278 /nfs/dbraw/zinc/06/42/78/1098064278.db2.gz KXJQGAPEPYYYRU-UHFFFAOYSA-N 0 0 322.345 3.368 20 10 DGCDRN CN(C)c1ccc(CN2Cc3cnc(Cl)cc3C2)c(O)c1 ZINC001232841606 1098150456 /nfs/dbraw/zinc/15/04/56/1098150456.db2.gz LLIGAOLVNYMRKF-UHFFFAOYSA-N 0 0 303.793 3.022 20 10 DGCDRN Oc1cc(CN2CCC[C@H]2c2ccccc2F)cc(O)c1O ZINC001233013383 1098203850 /nfs/dbraw/zinc/20/38/50/1098203850.db2.gz QAHABYKECYBKIX-AWEZNQCLSA-N 0 0 303.333 3.280 20 10 DGCDRN [O-]c1c(C[N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)ccc(F)c1F ZINC001233074311 1098219901 /nfs/dbraw/zinc/21/99/01/1098219901.db2.gz MKCOXTUZJDWGDY-RKDXNWHRSA-N 0 0 313.241 3.250 20 10 DGCDRN C[N@@H+](Cc1ccc(F)c(F)c1[O-])C[C@H]1Cc2ccccc2O1 ZINC001233080679 1098220756 /nfs/dbraw/zinc/22/07/56/1098220756.db2.gz ZYAHRRGIZVASJA-CYBMUJFWSA-N 0 0 305.324 3.106 20 10 DGCDRN Cc1cc(Br)cc(CN2CCC(=O)C[C@@H]2C)c1O ZINC001233106480 1098228288 /nfs/dbraw/zinc/22/82/88/1098228288.db2.gz IDQLNCFWGUXBDU-JTQLQIEISA-N 0 0 312.207 3.017 20 10 DGCDRN CCOC(=O)c1c(CN2C[C@H](F)C[C@H]2C)c2ccccc2n1C ZINC001233270651 1098270399 /nfs/dbraw/zinc/27/03/99/1098270399.db2.gz VLRFFQFRPIGCTL-CHWSQXEVSA-N 0 0 318.392 3.287 20 10 DGCDRN COc1ccc(C[N@H+](C)Cc2c([O-])ccc(F)c2F)cc1OC ZINC001233334652 1098292927 /nfs/dbraw/zinc/29/29/27/1098292927.db2.gz OVDYXPZFFDLIIX-UHFFFAOYSA-N 0 0 323.339 3.320 20 10 DGCDRN C[N@@H+](Cc1cccc(C(F)(F)F)c1[O-])CC1CCOCC1 ZINC001233416136 1098321786 /nfs/dbraw/zinc/32/17/86/1098321786.db2.gz XFZPBABVUUYIJQ-UHFFFAOYSA-N 0 0 303.324 3.269 20 10 DGCDRN [O-]c1c(C[N@H+]2CCCC[C@@](O)(CF)C2)cccc1C(F)(F)F ZINC001233415945 1098321906 /nfs/dbraw/zinc/32/19/06/1098321906.db2.gz PFZHKADTOMFKJO-CQSZACIVSA-N 0 0 321.314 3.098 20 10 DGCDRN Oc1c(CN2CC3(C2)CCCCO3)cccc1C(F)(F)F ZINC001233416263 1098321954 /nfs/dbraw/zinc/32/19/54/1098321954.db2.gz BVODLNGTAPWIDV-UHFFFAOYSA-N 0 0 301.308 3.166 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)cccc1C(F)(F)F ZINC001233416686 1098322073 /nfs/dbraw/zinc/32/20/73/1098322073.db2.gz RMTGKKCSBNKSGE-FZMZJTMJSA-N 0 0 315.335 3.412 20 10 DGCDRN [O-]c1c(C[N@@H+]2CCC3(C2)CCOCC3)cccc1C(F)(F)F ZINC001233417595 1098322180 /nfs/dbraw/zinc/32/21/80/1098322180.db2.gz AOKUUDCTDKWMMA-UHFFFAOYSA-N 0 0 315.335 3.414 20 10 DGCDRN C[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CCC[C@H]1O ZINC001233415639 1098322618 /nfs/dbraw/zinc/32/26/18/1098322618.db2.gz DFYIHGYFCYTHGJ-GXFFZTMASA-N 0 0 303.324 3.004 20 10 DGCDRN C[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CC[C@@H]1O ZINC001233415605 1098323799 /nfs/dbraw/zinc/32/37/99/1098323799.db2.gz CGEWHDOSHOLAMX-GWCFXTLKSA-N 0 0 303.324 3.004 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CC[C@H]1O ZINC001233415608 1098323942 /nfs/dbraw/zinc/32/39/42/1098323942.db2.gz CGEWHDOSHOLAMX-ZWNOBZJWSA-N 0 0 303.324 3.004 20 10 DGCDRN Oc1cc(O)c(CN2CCc3c4ccccc4oc3C2)cc1O ZINC001233486277 1098347270 /nfs/dbraw/zinc/34/72/70/1098347270.db2.gz GKXSOOJDZXXWKW-UHFFFAOYSA-N 0 0 311.337 3.108 20 10 DGCDRN CCOC(=O)CC1CC(Oc2ccc3c(c2)CCN3CC)C1 ZINC001233608475 1098388543 /nfs/dbraw/zinc/38/85/43/1098388543.db2.gz VDYOHNKRSLKKFR-UHFFFAOYSA-N 0 0 303.402 3.180 20 10 DGCDRN C[C@H](CC(=O)NCc1cccc(O)c1O)c1ccc(F)cc1F ZINC001176566461 1098388533 /nfs/dbraw/zinc/38/85/33/1098388533.db2.gz XKNLAKWUWDRIGP-SNVBAGLBSA-N 0 0 321.323 3.186 20 10 DGCDRN CC(C)[C@H](Oc1nc[nH]c2cc(=O)c(O)cc1-2)C(F)(F)F ZINC001233949248 1098464827 /nfs/dbraw/zinc/46/48/27/1098464827.db2.gz AVMRHLYTBKLQIO-NSHDSACASA-N 0 0 302.252 3.007 20 10 DGCDRN C[C@@H](Oc1nc[nH]c2cc(=O)c(O)cc1-2)c1ccc(F)c(F)c1 ZINC001233949132 1098465103 /nfs/dbraw/zinc/46/51/03/1098465103.db2.gz XHTBAWSMKRMCLJ-MRVPVSSYSA-N 0 0 318.279 3.459 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC001177166673 1098480517 /nfs/dbraw/zinc/48/05/17/1098480517.db2.gz RVSQTIYQCKKYJU-LBPRGKRZSA-N 0 0 323.751 3.114 20 10 DGCDRN CC(C)OCCOc1cc(N2CCCCC2)ccc1[N+](=O)[O-] ZINC001234361715 1098542710 /nfs/dbraw/zinc/54/27/10/1098542710.db2.gz GAVRRWSRBWOEAY-UHFFFAOYSA-N 0 0 308.378 3.389 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H](C)COc1ccccc1 ZINC001234473601 1098565193 /nfs/dbraw/zinc/56/51/93/1098565193.db2.gz IPGINFYTOYOIHK-NSHDSACASA-N 0 0 302.326 3.147 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@](C)(O)[C@@H](C)C3)c2c1 ZINC001234526251 1098581169 /nfs/dbraw/zinc/58/11/69/1098581169.db2.gz RMXBERSNCNWRHF-ORAYPTAESA-N 0 0 315.413 3.147 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@@]34CCOC4)c2c1 ZINC001234562967 1098601511 /nfs/dbraw/zinc/60/15/11/1098601511.db2.gz YZCIWPMETCJFLP-IBGZPJMESA-N 0 0 313.397 3.309 20 10 DGCDRN CN(C)c1ccc(/C=C/CNc2ccc3c(c2)C(=O)NC3)cc1 ZINC001178025167 1098697604 /nfs/dbraw/zinc/69/76/04/1098697604.db2.gz HBHBOPYROJRNNB-ONEGZZNKSA-N 0 0 307.397 3.121 20 10 DGCDRN O=C1C[C@@H](c2cccc(NCc3c(O)cccc3Cl)c2)CN1 ZINC001178249375 1098754311 /nfs/dbraw/zinc/75/43/11/1098754311.db2.gz OHGBMMHSQBVGEN-GFCCVEGCSA-N 0 0 316.788 3.261 20 10 DGCDRN Cc1ccc(C[C@@H](C)C(=O)NCc2c(O)cccc2F)cc1 ZINC001178412859 1098827806 /nfs/dbraw/zinc/82/78/06/1098827806.db2.gz IOAVQTYIEOTDES-CYBMUJFWSA-N 0 0 301.361 3.335 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@@H]1CSc2ccccc21 ZINC001178412885 1098828852 /nfs/dbraw/zinc/82/88/52/1098828852.db2.gz JHYHBZLYGNHMIO-GFCCVEGCSA-N 0 0 303.358 3.037 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cc2sccc2c(O)c1 ZINC001178413851 1098829220 /nfs/dbraw/zinc/82/92/20/1098829220.db2.gz ZIWDQFDPAMTKAC-UHFFFAOYSA-N 0 0 317.341 3.382 20 10 DGCDRN O=C(CCSc1ccccc1F)NCc1c(O)cccc1O ZINC001178906212 1098967627 /nfs/dbraw/zinc/96/76/27/1098967627.db2.gz ZCDOEJJLTJTAIS-UHFFFAOYSA-N 0 0 321.373 3.036 20 10 DGCDRN C[C@H](CCc1ccccc1F)C(=O)NCc1c(O)cccc1O ZINC001178912719 1098970299 /nfs/dbraw/zinc/97/02/99/1098970299.db2.gz WZMUVGFYJXRBFC-GFCCVEGCSA-N 0 0 317.360 3.122 20 10 DGCDRN O=C(/C=C/c1cccnc1)NCc1c(O)ccc2ccccc21 ZINC001179029883 1099005563 /nfs/dbraw/zinc/00/55/63/1099005563.db2.gz UYCUGVKDGCRPCE-JXMROGBWSA-N 0 0 304.349 3.270 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1ccc2cccnn21 ZINC001179032214 1099005729 /nfs/dbraw/zinc/00/57/29/1099005729.db2.gz ATHVKECUUNOIMG-UHFFFAOYSA-N 0 0 317.348 3.123 20 10 DGCDRN CC(C)(C)c1ccc(CN2CC3(C2)CC(F)(F)CO3)c(O)c1 ZINC001235681105 1099124010 /nfs/dbraw/zinc/12/40/10/1099124010.db2.gz YESRNKVJNCLBQG-UHFFFAOYSA-N 0 0 311.372 3.300 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cnc(C2CC2)s1 ZINC001179683205 1099176346 /nfs/dbraw/zinc/17/63/46/1099176346.db2.gz MCJIYKKZSAMNLO-QHHAFSJGSA-N 0 0 302.355 3.084 20 10 DGCDRN O=C(CCC(F)=C(F)F)N1CCCc2cc(O)c(O)cc2C1 ZINC001180278600 1099369364 /nfs/dbraw/zinc/36/93/64/1099369364.db2.gz LHEWEXMIPJLEPI-UHFFFAOYSA-N 0 0 315.291 3.230 20 10 DGCDRN CC(C)Oc1ncccc1-c1ccn(Cc2ccncc2)c(=O)c1 ZINC001236109436 1099399484 /nfs/dbraw/zinc/39/94/84/1099399484.db2.gz REPPTVGAMITPJT-UHFFFAOYSA-N 0 0 321.380 3.141 20 10 DGCDRN CC(C)Oc1ccc(C(=O)NCc2cccc(Cl)c2O)nc1 ZINC001180409925 1099411552 /nfs/dbraw/zinc/41/15/52/1099411552.db2.gz JLBNEXFTDASKDL-UHFFFAOYSA-N 0 0 320.776 3.158 20 10 DGCDRN CCC[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CC[NH2+]1 ZINC001236177081 1099447872 /nfs/dbraw/zinc/44/78/72/1099447872.db2.gz ZVYDGZMGOKFAGW-LBPRGKRZSA-N 0 0 303.233 3.273 20 10 DGCDRN CSc1nc(NCc2cc(O)ccc2O)cc(C(F)F)n1 ZINC001187497050 1099533321 /nfs/dbraw/zinc/53/33/21/1099533321.db2.gz KHHTVVPFWMUCJN-UHFFFAOYSA-N 0 0 313.329 3.159 20 10 DGCDRN Oc1ccc(Cl)cc1CN1CCO[C@@H](c2ccccn2)C1 ZINC001203663682 1099539425 /nfs/dbraw/zinc/53/94/25/1099539425.db2.gz DBZISAZNOGKYDM-MRXNPFEDSA-N 0 0 304.777 3.014 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)Nc1ccc(F)c(Cl)c1 ZINC001187712237 1099584242 /nfs/dbraw/zinc/58/42/42/1099584242.db2.gz JLBCUHDFBMJZKE-UHFFFAOYSA-N 0 0 310.712 3.212 20 10 DGCDRN Oc1c(Cl)cccc1CNc1ncc(Br)cn1 ZINC001187861654 1099619949 /nfs/dbraw/zinc/61/99/49/1099619949.db2.gz NZPVEVXPEPVHHZ-UHFFFAOYSA-N 0 0 314.570 3.210 20 10 DGCDRN [O-]c1cc(F)cc(F)c1CN([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236655056 1099726856 /nfs/dbraw/zinc/72/68/56/1099726856.db2.gz YZPRNFVVNDLWFS-AWEZNQCLSA-N 0 0 310.388 3.167 20 10 DGCDRN Cc1cc(Br)c(O)c(CN2CC(OC(C)C)C2)c1 ZINC001236668421 1099734475 /nfs/dbraw/zinc/73/44/75/1099734475.db2.gz AWVIJHORZVIYTI-UHFFFAOYSA-N 0 0 314.223 3.072 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cscc1OC ZINC001188306425 1099748337 /nfs/dbraw/zinc/74/83/37/1099748337.db2.gz GOIFHYFMWHBIFT-UHFFFAOYSA-N 0 0 318.442 3.485 20 10 DGCDRN Cc1ncc(C[N@@H+](C)Cc2cc(Cl)c(Cl)cc2[O-])cn1 ZINC001236799847 1099793274 /nfs/dbraw/zinc/79/32/74/1099793274.db2.gz QREYDFUPMAUHCO-UHFFFAOYSA-N 0 0 312.200 3.429 20 10 DGCDRN COc1ccc(C[N@@H+]2CCC[C@@](C)(O)[C@H](C)C2)c([O-])c1Cl ZINC001236802536 1099798039 /nfs/dbraw/zinc/79/80/39/1099798039.db2.gz SDGVVYPIEQRYNM-BDJLRTHQSA-N 0 0 313.825 3.037 20 10 DGCDRN COc1cc(O)c(CN2CCc3cccnc3C2)c(Cl)c1 ZINC001236809252 1099799121 /nfs/dbraw/zinc/79/91/21/1099799121.db2.gz UHGSCKWENMNMJM-UHFFFAOYSA-N 0 0 304.777 3.008 20 10 DGCDRN COc1cc(O)c(CN2CC(C)(C)OC(C)(C)C2)c(Cl)c1 ZINC001236807975 1099800631 /nfs/dbraw/zinc/80/06/31/1099800631.db2.gz LPQYLWXHLOIXFO-UHFFFAOYSA-N 0 0 313.825 3.444 20 10 DGCDRN Oc1cc2ccccc2cc1CN1CCO[C@@H](C(F)(F)F)C1 ZINC001236834311 1099820349 /nfs/dbraw/zinc/82/03/49/1099820349.db2.gz WCNAVEOZERNENI-OAHLLOKOSA-N 0 0 311.303 3.309 20 10 DGCDRN CCOc1cccc(OCC)c1C(=O)NCc1ccccc1O ZINC001188879378 1099879109 /nfs/dbraw/zinc/87/91/09/1099879109.db2.gz SQPFQDFIODZVDB-UHFFFAOYSA-N 0 0 315.369 3.120 20 10 DGCDRN CCOc1ccc(C[N@H+](C(C)C)C2CCN(C)CC2)c(O)c1 ZINC001237046464 1099941464 /nfs/dbraw/zinc/94/14/64/1099941464.db2.gz CHSRJVKBUINIEY-UHFFFAOYSA-N 0 0 306.450 3.096 20 10 DGCDRN O=S(=O)(CCc1ccc(Cl)cc1)Nc1ccc(O)cc1 ZINC001189064313 1099945989 /nfs/dbraw/zinc/94/59/89/1099945989.db2.gz OYZGNVRLOKKSJP-UHFFFAOYSA-N 0 0 311.790 3.030 20 10 DGCDRN Oc1ccc(Cl)c(Cl)c1CN1CC2(C1)CCCCO2 ZINC001237077423 1099955890 /nfs/dbraw/zinc/95/58/90/1099955890.db2.gz HOTZDLAQNWUMHA-UHFFFAOYSA-N 0 0 302.201 3.454 20 10 DGCDRN [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC001237078383 1099958407 /nfs/dbraw/zinc/95/84/07/1099958407.db2.gz RBZRZFPQVSSEHW-AWEZNQCLSA-N 0 0 302.201 3.311 20 10 DGCDRN COC(=O)[C@@]1(C)CC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237086981 1099963820 /nfs/dbraw/zinc/96/38/20/1099963820.db2.gz QJMBGGHZPMGMGY-AWEZNQCLSA-N 0 0 318.200 3.084 20 10 DGCDRN CCN(Cc1c(O)ccc(Cl)c1Cl)[C@@H](C)C(=O)OC ZINC001237085897 1099964727 /nfs/dbraw/zinc/96/47/27/1099964727.db2.gz KYWQYRBPYUJVCC-QMMMGPOBSA-N 0 0 306.189 3.082 20 10 DGCDRN Oc1cccc(OC(F)(F)F)c1CN1CC(F)(C2CC2)C1 ZINC001237121736 1099981188 /nfs/dbraw/zinc/98/11/88/1099981188.db2.gz ZCAAKOFFNFZILP-UHFFFAOYSA-N 0 0 305.271 3.225 20 10 DGCDRN CC(=O)[C@H]1CCCN(Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237123188 1099981678 /nfs/dbraw/zinc/98/16/78/1099981678.db2.gz NDNMPMIPCCOZOQ-NSHDSACASA-N 0 0 317.307 3.092 20 10 DGCDRN CC1(C)CN(Cc2cc(C(F)(F)F)ccc2O)CCC1=O ZINC001237139429 1099990910 /nfs/dbraw/zinc/99/09/10/1099990910.db2.gz FFUCNYRJTHFTSF-UHFFFAOYSA-N 0 0 301.308 3.212 20 10 DGCDRN Cc1cccc(O)c1C[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001237495609 1100145336 /nfs/dbraw/zinc/14/53/36/1100145336.db2.gz SWPTWYNWXNDKAN-IAGOWNOFSA-N 0 0 308.425 3.269 20 10 DGCDRN COC(=O)[C@H](C)N(C)Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237647066 1100200787 /nfs/dbraw/zinc/20/07/87/1100200787.db2.gz RFFIIYZFTQNXQR-LBPRGKRZSA-N 0 0 317.360 3.192 20 10 DGCDRN Cc1cc(O)c(C[N@@H+](C)C2CCOCC2)cc1Br ZINC001237678137 1100212371 /nfs/dbraw/zinc/21/23/71/1100212371.db2.gz USUPXLXKGOHLIX-UHFFFAOYSA-N 0 0 314.223 3.074 20 10 DGCDRN Cc1cc(Cl)cc(C[N@@H+]2CCc3cc(CO)ccc3C2)c1O ZINC001237680502 1100213103 /nfs/dbraw/zinc/21/31/03/1100213103.db2.gz CJAGDJNGOZMTLL-UHFFFAOYSA-N 0 0 317.816 3.405 20 10 DGCDRN CC[N@H+](C)C1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237803164 1100251991 /nfs/dbraw/zinc/25/19/91/1100251991.db2.gz RBEFWJUTOKUFMJ-UHFFFAOYSA-N 0 0 300.805 3.101 20 10 DGCDRN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001237806263 1100253349 /nfs/dbraw/zinc/25/33/49/1100253349.db2.gz SGXMWXSFIVYGKK-UHFFFAOYSA-N 0 0 307.752 3.449 20 10 DGCDRN [O-]c1c(F)cc(C[N@@H+]2CCc3cccc(O)c3C2)cc1Cl ZINC001237993993 1100317938 /nfs/dbraw/zinc/31/79/38/1100317938.db2.gz XZLCRELHYNVFSA-UHFFFAOYSA-N 0 0 307.752 3.449 20 10 DGCDRN Cc1nc([C@H]2CCCCN2Cc2cc(F)cc(C)c2O)no1 ZINC001238061822 1100345968 /nfs/dbraw/zinc/34/59/68/1100345968.db2.gz JBZKRTCSUDUMCB-CQSZACIVSA-N 0 0 305.353 3.258 20 10 DGCDRN Cc1cc(F)cc(CN2CCc3ncc(Cl)cc3C2)c1O ZINC001238068228 1100348938 /nfs/dbraw/zinc/34/89/38/1100348938.db2.gz VCBYXAMSMJSDSS-UHFFFAOYSA-N 0 0 306.768 3.446 20 10 DGCDRN CCCCc1ccc(S(=O)(=O)NCc2ccccc2O)cc1 ZINC001191257555 1100430929 /nfs/dbraw/zinc/43/09/29/1100430929.db2.gz UUGHJAHFIZIYEE-UHFFFAOYSA-N 0 0 319.426 3.213 20 10 DGCDRN CC(C)Oc1cc(CN2CCc3cccc(O)c3C2)cnc1F ZINC001238602853 1100481025 /nfs/dbraw/zinc/48/10/25/1100481025.db2.gz JZEMYXDQIGRDPH-UHFFFAOYSA-N 0 0 316.376 3.272 20 10 DGCDRN COc1cc(C(=O)N[C@H]2C[C@@H](C)CC(C)(C)C2)cc(O)c1O ZINC001193113756 1100708387 /nfs/dbraw/zinc/70/83/87/1100708387.db2.gz BCHUYWQTGQBENM-PWSUYJOCSA-N 0 0 307.390 3.051 20 10 DGCDRN O=C(c1ccc(O)c(O)c1Cl)N1CCCC(F)(F)CC1 ZINC001193209568 1100717548 /nfs/dbraw/zinc/71/75/48/1100717548.db2.gz MJBMDEKSVADACX-UHFFFAOYSA-N 0 0 305.708 3.013 20 10 DGCDRN O=C(Nc1nsc2ncccc12)c1ccc(O)c(O)c1Cl ZINC001193219519 1100718762 /nfs/dbraw/zinc/71/87/62/1100718762.db2.gz JLDPAAXNJXYBGY-UHFFFAOYSA-N 0 0 321.745 3.008 20 10 DGCDRN COc1ncccc1-c1cc(N2CCc3ccccc32)ncn1 ZINC001239856688 1100777036 /nfs/dbraw/zinc/77/70/36/1100777036.db2.gz OAZLISVDJRPPIZ-UHFFFAOYSA-N 0 0 304.353 3.241 20 10 DGCDRN Cc1n[nH]c(C)c1-c1nnc(C)cc1-c1nc2ccccc2n1C ZINC001240123401 1100872674 /nfs/dbraw/zinc/87/26/74/1100872674.db2.gz JXEQAENMEKOTFH-UHFFFAOYSA-N 0 0 318.384 3.346 20 10 DGCDRN Cc1c(C)n(Cc2ccccc2)c2ncnc(-c3cnn(C)c3)c12 ZINC001240294290 1100930046 /nfs/dbraw/zinc/93/00/46/1100930046.db2.gz VWMLRFNFMASVMU-UHFFFAOYSA-N 0 0 317.396 3.497 20 10 DGCDRN Cc1nn(C)cc1-c1ncnc2c1ccn2Cc1ccccc1F ZINC001240298513 1100932003 /nfs/dbraw/zinc/93/20/03/1100932003.db2.gz AXLVRFQFTKSVDI-UHFFFAOYSA-N 0 0 321.359 3.328 20 10 DGCDRN Cc1ccc(OC(=O)N2CCCc3cc(O)c(O)cc3C2)cc1 ZINC001194450616 1100941635 /nfs/dbraw/zinc/94/16/35/1100941635.db2.gz JFYIRULIOZVJOP-UHFFFAOYSA-N 0 0 313.353 3.353 20 10 DGCDRN CCn1ccc(-c2cnc(Cl)n2[C@H]2CCCCO2)cc1=O ZINC001240551487 1101045380 /nfs/dbraw/zinc/04/53/80/1101045380.db2.gz HMLLFSDZXWJTFZ-CQSZACIVSA-N 0 0 307.781 3.084 20 10 DGCDRN Cn1ccc2ccc(-c3cn(-c4ccccc4)c(=O)cn3)cc21 ZINC001240576368 1101056508 /nfs/dbraw/zinc/05/65/08/1101056508.db2.gz SRVXPORZBBWIDP-UHFFFAOYSA-N 0 0 301.349 3.391 20 10 DGCDRN Cn1ccc2ccc(-c3cccn(Cc4ccncc4)c3=O)cc21 ZINC001240576261 1101056636 /nfs/dbraw/zinc/05/66/36/1101056636.db2.gz QEWYLVHABZMLHA-UHFFFAOYSA-N 0 0 315.376 3.450 20 10 DGCDRN Cn1ccc2ccc(-c3ccc(=O)n(Cc4ccncc4)c3)cc21 ZINC001240576627 1101056781 /nfs/dbraw/zinc/05/67/81/1101056781.db2.gz UNGQRONEFXLQIA-UHFFFAOYSA-N 0 0 315.376 3.450 20 10 DGCDRN Cn1ccc2ccc(-c3ccnn(Cc4ccccc4)c3=O)cc21 ZINC001240576648 1101056829 /nfs/dbraw/zinc/05/68/29/1101056829.db2.gz VDJJBLUNTXENJN-UHFFFAOYSA-N 0 0 315.376 3.450 20 10 DGCDRN Cn1c(=O)ccc2ccc(-c3cnn([C@@H]4CCCCO4)c3)cc21 ZINC001240682107 1101095202 /nfs/dbraw/zinc/09/52/02/1101095202.db2.gz TYCUKTJSGIHBKL-SFHVURJKSA-N 0 0 309.369 3.101 20 10 DGCDRN CN1CCN(C(=O)c2ccccc2NN=C2C=CC(=O)C=C2)CC1 ZINC001195255663 1101106998 /nfs/dbraw/zinc/10/69/98/1101106998.db2.gz SARADKDUEVGQOD-FMQUCBEESA-N 0 0 324.384 3.195 20 10 DGCDRN O=C(NC1CC(=O)C1)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195279923 1101111233 /nfs/dbraw/zinc/11/12/33/1101111233.db2.gz VHHRACXOVKVOFM-FMQUCBEESA-N 0 0 309.325 3.269 20 10 DGCDRN CCn1ncc(CN2C[C@H](C(C)C)Cc3cc(OC)ccc32)n1 ZINC001195322785 1101112934 /nfs/dbraw/zinc/11/29/34/1101112934.db2.gz GSVPICORYLWEOX-OAHLLOKOSA-N 0 0 314.433 3.142 20 10 DGCDRN COCCn1ccc2c1ncnc2-c1cncc(C(F)(F)F)c1 ZINC001240788630 1101138769 /nfs/dbraw/zinc/13/87/69/1101138769.db2.gz FAEUTXYDJXMQPN-UHFFFAOYSA-N 0 0 322.290 3.159 20 10 DGCDRN CCN(c1ccccc1)c1cc(-c2cnn3cccnc23)ncn1 ZINC001240929636 1101183796 /nfs/dbraw/zinc/18/37/96/1101183796.db2.gz WWSASJORFMGDHC-UHFFFAOYSA-N 0 0 316.368 3.344 20 10 DGCDRN Cc1c[nH]nc1C(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001195910922 1101219784 /nfs/dbraw/zinc/21/97/84/1101219784.db2.gz HSYWVEHTCBKTFX-MRXNPFEDSA-N 0 0 313.401 3.094 20 10 DGCDRN Cc1cccc(CNC(=S)NCc2ccc(F)cc2)c1O ZINC001196510045 1101325564 /nfs/dbraw/zinc/32/55/64/1101325564.db2.gz KDJODUTXQHXMHN-UHFFFAOYSA-N 0 0 304.390 3.004 20 10 DGCDRN Cc1cc(C(=O)N(C)C)ncc1C1=CCN(c2ccccc2)CC1 ZINC001241359755 1101401762 /nfs/dbraw/zinc/40/17/62/1101401762.db2.gz CWWMSTBZWFNPRC-UHFFFAOYSA-N 0 0 321.424 3.386 20 10 DGCDRN Nc1ccc(N(CCO)C2=CC[C@@H](C(F)(F)F)CC2)cc1 ZINC001196889118 1101416353 /nfs/dbraw/zinc/41/63/53/1101416353.db2.gz XYGRKSJISFXTDT-LLVKDONJSA-N 0 0 300.324 3.314 20 10 DGCDRN Cn1cccc1CNC(=S)Nc1c(F)c(F)cc(F)c1F ZINC001197406759 1101558005 /nfs/dbraw/zinc/55/80/05/1101558005.db2.gz QWLREWRJZNSRFT-UHFFFAOYSA-N 0 0 317.311 3.068 20 10 DGCDRN Cc1ccc(NC(=O)N[C@H](C)c2ccccc2O)cc1[N+](=O)[O-] ZINC001197823676 1101684684 /nfs/dbraw/zinc/68/46/84/1101684684.db2.gz QCFFQHYMFUHKII-LLVKDONJSA-N 0 0 315.329 3.492 20 10 DGCDRN CCOc1ccnc(CNC(=S)Nc2ccc(C)cc2)c1 ZINC001197952137 1101713496 /nfs/dbraw/zinc/71/34/96/1101713496.db2.gz DISPCZFAPCICEN-UHFFFAOYSA-N 0 0 301.415 3.275 20 10 DGCDRN Cn1ccc2c1cccc2-c1nc(C(F)(F)F)nc2[nH]cnc21 ZINC001241820438 1101725824 /nfs/dbraw/zinc/72/58/24/1101725824.db2.gz DODZZHPIMJGLQX-UHFFFAOYSA-N 0 0 317.274 3.482 20 10 DGCDRN CC[C@@H](C)n1c(=O)[nH]c(C)c(-c2cccc3c2ccn3C)c1=O ZINC001241823164 1101728487 /nfs/dbraw/zinc/72/84/87/1101728487.db2.gz VNAPOKHRRRUNGZ-LLVKDONJSA-N 0 0 311.385 3.387 20 10 DGCDRN Cn1ccc2c1cccc2-c1cnn(-c2ccccc2)c(=O)c1 ZINC001241824804 1101730984 /nfs/dbraw/zinc/73/09/84/1101730984.db2.gz XLWAQXMWXRMDCB-UHFFFAOYSA-N 0 0 301.349 3.391 20 10 DGCDRN COc1ccncc1-c1ccn(Cc2cccc(F)c2)c(=O)c1 ZINC001242060658 1101887229 /nfs/dbraw/zinc/88/72/29/1101887229.db2.gz OJKYRNUMJUTREU-UHFFFAOYSA-N 0 0 310.328 3.106 20 10 DGCDRN Cc1cc(C(=O)N2CCc3cccc(O)c3C2)nc2ccccc12 ZINC001198597714 1101920477 /nfs/dbraw/zinc/92/04/77/1101920477.db2.gz YEMUYXRIWNUMRG-UHFFFAOYSA-N 0 0 318.376 3.447 20 10 DGCDRN Cn1c(=O)cc(-c2ccc(OCC3CC3)nc2)c2ccccc21 ZINC001242216416 1101989634 /nfs/dbraw/zinc/98/96/34/1101989634.db2.gz KCDIHXGGFGRBPG-UHFFFAOYSA-N 0 0 306.365 3.389 20 10 DGCDRN COc1ncc(-c2ccn(Cc3ccccc3F)c(=O)c2)cc1C ZINC001242433016 1102131190 /nfs/dbraw/zinc/13/11/90/1102131190.db2.gz QJHAZRIVWPJMON-UHFFFAOYSA-N 0 0 324.355 3.415 20 10 DGCDRN CN(C)c1cncc(-c2cc(N(C)c3ccccc3)ncn2)c1 ZINC001242527738 1102189217 /nfs/dbraw/zinc/18/92/17/1102189217.db2.gz VLFANYOKOHRIEL-UHFFFAOYSA-N 0 0 305.385 3.373 20 10 DGCDRN CCc1[nH]nc2ncc(-c3cc(=O)n(C)c4ccccc34)cc12 ZINC001242826517 1102367333 /nfs/dbraw/zinc/36/73/33/1102367333.db2.gz PMNSTWOXMWOVHA-UHFFFAOYSA-N 0 0 304.353 3.039 20 10 DGCDRN Fc1cnc(CNC(=S)Nc2ccccc2Cl)c(F)c1 ZINC001200867599 1102428914 /nfs/dbraw/zinc/42/89/14/1102428914.db2.gz OFLFZIAZGOIPNF-UHFFFAOYSA-N 0 0 313.760 3.500 20 10 DGCDRN Cn1cncc1-c1ncnc2c1ccn2Cc1cccc(F)c1 ZINC001243065069 1102505974 /nfs/dbraw/zinc/50/59/74/1102505974.db2.gz LMOCRDHCOZQKPV-UHFFFAOYSA-N 0 0 307.332 3.019 20 10 DGCDRN CSc1ccc(NC(=S)NCc2cccc(F)n2)cc1 ZINC001201191000 1102512763 /nfs/dbraw/zinc/51/27/63/1102512763.db2.gz JGZGOCYXRKWWCC-UHFFFAOYSA-N 0 0 307.419 3.429 20 10 DGCDRN Cc1cc(C)cc(NC(=S)NCc2cccc3ccnn32)c1 ZINC001201214290 1102528928 /nfs/dbraw/zinc/52/89/28/1102528928.db2.gz ZQXLRMOQWQKJPB-UHFFFAOYSA-N 0 0 310.426 3.438 20 10 DGCDRN Cc1c2ccccc2n(C)c1CN[C@@H](C)C(=O)OC(C)(C)C ZINC001201566227 1102653912 /nfs/dbraw/zinc/65/39/12/1102653912.db2.gz CYQKHDVKFWTWCZ-ZDUSSCGKSA-N 0 0 302.418 3.307 20 10 DGCDRN Nc1ccc(Cl)cc1-c1ccn(Cc2ccncc2)c(=O)c1 ZINC001243485455 1102751791 /nfs/dbraw/zinc/75/17/91/1102751791.db2.gz AYJUCSIIRTZNTK-UHFFFAOYSA-N 0 0 311.772 3.194 20 10 DGCDRN CCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC001201933730 1102755747 /nfs/dbraw/zinc/75/57/47/1102755747.db2.gz DYQZEVZUMJEICU-DLBZAZTESA-N 0 0 310.397 3.480 20 10 DGCDRN O=C(Nc1c(F)cccc1F)N1CCc2cccc(O)c2C1 ZINC001202037770 1102815717 /nfs/dbraw/zinc/81/57/17/1102815717.db2.gz RHSIFHNIFZCCOJ-UHFFFAOYSA-N 0 0 304.296 3.261 20 10 DGCDRN CSc1ccc(-c2nnc(C)cc2-c2nccn2C)c(C)n1 ZINC001243577240 1102820186 /nfs/dbraw/zinc/82/01/86/1102820186.db2.gz FBTHBUVZYWMBQN-UHFFFAOYSA-N 0 0 311.414 3.278 20 10 DGCDRN Cc1nocc1-c1ncccc1C(=O)N1CCc2ccccc21 ZINC001243672817 1102907861 /nfs/dbraw/zinc/90/78/61/1102907861.db2.gz ZPGPKGSOMLHLLU-UHFFFAOYSA-N 0 0 305.337 3.248 20 10 DGCDRN COc1ncc(-c2ccn(CC3CC3)c(=O)c2)cc1C(F)(F)F ZINC001243746237 1102954923 /nfs/dbraw/zinc/95/49/23/1102954923.db2.gz PVGCSOAKMUMZOJ-UHFFFAOYSA-N 0 0 324.302 3.348 20 10 DGCDRN Cc1cc(-c2nc3ccccc3n2C)c(C2=CNCCC2)nn1 ZINC001243948729 1103077642 /nfs/dbraw/zinc/07/76/42/1103077642.db2.gz KXTOPJWFKWVKGT-UHFFFAOYSA-N 0 0 305.385 3.063 20 10 DGCDRN C[C@@H](NC(=O)N(C)CCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC001325809166 1103129702 /nfs/dbraw/zinc/12/97/02/1103129702.db2.gz ZTRIFSUABXXBER-LLVKDONJSA-N 0 0 317.355 3.407 20 10 DGCDRN C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001326255658 1103248450 /nfs/dbraw/zinc/24/84/50/1103248450.db2.gz DZSKPXXGUGWJET-SECBINFHSA-N 0 0 317.788 3.395 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)c3occc3N)cc2)CC1 ZINC001326408303 1103304891 /nfs/dbraw/zinc/30/48/91/1103304891.db2.gz IQKPJQGTCLJREQ-UHFFFAOYSA-N 0 0 313.401 3.028 20 10 DGCDRN CCOC(=O)c1cnc(S[C@@H](C)C(=O)OC(C)(C)C)s1 ZINC001327660401 1103317185 /nfs/dbraw/zinc/31/71/85/1103317185.db2.gz IVIPGTTVYYNCSM-QMMMGPOBSA-N 0 0 317.432 3.142 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCC[C@@H](F)C1 ZINC001326752210 1103428217 /nfs/dbraw/zinc/42/82/17/1103428217.db2.gz OSFMEABLPIQGJF-CABCVRRESA-N 0 0 307.413 3.141 20 10 DGCDRN Cc1cc(NCc2ccc(N3CCCC3)cc2)ccc1C(N)=O ZINC001326960951 1103488241 /nfs/dbraw/zinc/48/82/41/1103488241.db2.gz GYRJZPVTSBTSIY-UHFFFAOYSA-N 0 0 309.413 3.306 20 10 DGCDRN COC(=O)c1cnc(-c2cc(C)cc(C)c2N)c2ccn(C)c21 ZINC001244588753 1103545436 /nfs/dbraw/zinc/54/54/36/1103545436.db2.gz ARJCMRFMZSHDAH-UHFFFAOYSA-N 0 0 309.369 3.226 20 10 DGCDRN COc1ccc(N(C)Cc2cccnc2N(C)C)cc1Cl ZINC001327382158 1103633157 /nfs/dbraw/zinc/63/31/57/1103633157.db2.gz KWCCEIKFKSQOJP-UHFFFAOYSA-N 0 0 305.809 3.446 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)/C=C(/C)CC)CC2)cc1 ZINC001327983121 1103792837 /nfs/dbraw/zinc/79/28/37/1103792837.db2.gz OEHGTKRPTAVOPH-PFONDFGASA-N 0 0 302.418 3.090 20 10 DGCDRN COc1cc(-c2cc(N(C)c3ccccc3)ncn2)cnc1F ZINC001245075350 1103842837 /nfs/dbraw/zinc/84/28/37/1103842837.db2.gz HBJYPSNUBPHJHZ-UHFFFAOYSA-N 0 0 310.332 3.454 20 10 DGCDRN CC(C)Oc1ncc(-c2ccn(Cc3ccccc3)c(=O)c2)cn1 ZINC001245263413 1103948434 /nfs/dbraw/zinc/94/84/34/1103948434.db2.gz LCXMDNQCWAKHAR-UHFFFAOYSA-N 0 0 321.380 3.141 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCC[C@H](F)C1 ZINC001328656039 1104013628 /nfs/dbraw/zinc/01/36/28/1104013628.db2.gz CVHBMCIKBIFAEU-RYUDHWBXSA-N 0 0 300.761 3.126 20 10 DGCDRN Oc1cccc(Br)c1CNc1ccnn1CC1CC1 ZINC001328689580 1104021615 /nfs/dbraw/zinc/02/16/15/1104021615.db2.gz POHPRBFMSUECKG-UHFFFAOYSA-N 0 0 322.206 3.373 20 10 DGCDRN Cc1ccc(O)c(CNc2ccc([N+](=O)[O-])c(OC(C)C)n2)c1 ZINC001328731170 1104043430 /nfs/dbraw/zinc/04/34/30/1104043430.db2.gz IOFXMLMYPSAFQP-UHFFFAOYSA-N 0 0 317.345 3.403 20 10 DGCDRN C[C@H](CC(=O)NCc1ccc(N(C)C)c(F)c1)C(F)(F)F ZINC001329211285 1104189624 /nfs/dbraw/zinc/18/96/24/1104189624.db2.gz VFVPYKHNGXGDRD-SECBINFHSA-N 0 0 306.303 3.096 20 10 DGCDRN Nc1ccc(CC(=O)N2CC3(CCC3)c3c2cccc3F)cc1 ZINC001329273770 1104206890 /nfs/dbraw/zinc/20/68/90/1104206890.db2.gz RIOPBKIYUONFJY-UHFFFAOYSA-N 0 0 310.372 3.419 20 10 DGCDRN C[C@H](CC(=O)Nc1c2nonc2ccc1Cl)n1cccc1 ZINC001329517740 1104294559 /nfs/dbraw/zinc/29/45/59/1104294559.db2.gz GAEYSSXJKCLZND-SECBINFHSA-N 0 0 304.737 3.268 20 10 DGCDRN COc1cc(NCc2ccc(N3CCCC3)cc2)cnc1OC ZINC001329529753 1104301617 /nfs/dbraw/zinc/30/16/17/1104301617.db2.gz HMOZNQPWZMLXLA-UHFFFAOYSA-N 0 0 313.401 3.311 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)NC[C@H]1C=CCC1 ZINC001246266475 1104465303 /nfs/dbraw/zinc/46/53/03/1104465303.db2.gz NIIIYWCGTSRFEB-ZDUSSCGKSA-N 0 0 300.402 3.036 20 10 DGCDRN COc1ccc(N2CC[C@@]3(CCN(C4CCCC4)C3=O)C2)cc1 ZINC001274791333 1104491861 /nfs/dbraw/zinc/49/18/61/1104491861.db2.gz SSZAWEJFQJGRGA-LJQANCHMSA-N 0 0 314.429 3.067 20 10 DGCDRN COc1ccc(N2CCCC[C@@]23CC(=O)N(CC(C)C)C3)cc1 ZINC001274789484 1104493657 /nfs/dbraw/zinc/49/36/57/1104493657.db2.gz CZLOFQHUPBZFHW-IBGZPJMESA-N 0 0 316.445 3.313 20 10 DGCDRN CC[C@@H](C)N1CC[C@]2(CCCN2c2ccc(OC)cc2)C1=O ZINC001274792019 1104497630 /nfs/dbraw/zinc/49/76/30/1104497630.db2.gz XXJUPSFMIJOFCT-RDTXWAMCSA-N 0 0 302.418 3.065 20 10 DGCDRN C[C@]1(C(F)F)CN(Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001330219522 1104511264 /nfs/dbraw/zinc/51/12/64/1104511264.db2.gz DKQPJUIXKKTGIT-QGZVFWFLSA-N 0 0 310.388 3.143 20 10 DGCDRN CC[C@H](C)N1CC[C@@]2(CCN(c3ccc(OC)cc3C)C2)C1=O ZINC001274875373 1104527500 /nfs/dbraw/zinc/52/75/00/1104527500.db2.gz SZVQFUPJLMSHJW-HNAYVOBHSA-N 0 0 316.445 3.231 20 10 DGCDRN Cc1cnn(CC2CC2)c1NC(=O)N[C@@H](C)c1ccccc1O ZINC001330673274 1104612832 /nfs/dbraw/zinc/61/28/32/1104612832.db2.gz YDJVUZLKVLGZFA-LBPRGKRZSA-N 0 0 314.389 3.190 20 10 DGCDRN CN(C(=O)/C=C/c1cnn(C)c1)c1ccc(-c2nccs2)cc1 ZINC001275306952 1104716341 /nfs/dbraw/zinc/71/63/41/1104716341.db2.gz WPVGMQVVQTYTTQ-FPYGCLRLSA-N 0 0 324.409 3.220 20 10 DGCDRN Nc1ccc(CCNC(=O)c2ccc(Br)cc2)cc1 ZINC000040675569 1104987066 /nfs/dbraw/zinc/98/70/66/1104987066.db2.gz LDAVKQHBNNICSN-UHFFFAOYSA-N 0 0 319.202 3.004 20 10 DGCDRN Cc1cc(-c2noc(Cc3ccc(O)c(O)c3)n2)c(F)cc1F ZINC001247959558 1105021369 /nfs/dbraw/zinc/02/13/69/1105021369.db2.gz UBLCWXYPXUFFTO-UHFFFAOYSA-N 0 0 318.279 3.325 20 10 DGCDRN Oc1ccc(Cc2nc(-c3cccc(Cl)c3)no2)cc1O ZINC001247959467 1105021607 /nfs/dbraw/zinc/02/16/07/1105021607.db2.gz QSLLWQLMDVNTEL-UHFFFAOYSA-N 0 0 302.717 3.392 20 10 DGCDRN COC(=O)[C@@H]1CCN1Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001248880407 1105185012 /nfs/dbraw/zinc/18/50/12/1105185012.db2.gz IMRJVFQWARBDFU-ZDUSSCGKSA-N 0 0 311.809 3.090 20 10 DGCDRN CC(C)(C)c1cc(O)c(CN2C[C@H](F)C[C@H]2CO)cc1Cl ZINC001248881213 1105185871 /nfs/dbraw/zinc/18/58/71/1105185871.db2.gz TUNGKNHYSIZVNB-NEPJUHHUSA-N 0 0 315.816 3.248 20 10 DGCDRN CCOC(=O)CN(C)Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001248881340 1105185921 /nfs/dbraw/zinc/18/59/21/1105185921.db2.gz WLCNGSNMJVMPFT-UHFFFAOYSA-N 0 0 313.825 3.338 20 10 DGCDRN CCc1ccc(-c2noc(CCc3ccc(O)c(O)c3)n2)cc1 ZINC001248983231 1105209260 /nfs/dbraw/zinc/20/92/60/1105209260.db2.gz BSENWEWGEBERID-UHFFFAOYSA-N 0 0 310.353 3.495 20 10 DGCDRN CC[C@H](O)Cc1nc(-c2ccc(-n3c(C)ccc3C)cc2)no1 ZINC001249167681 1105237554 /nfs/dbraw/zinc/23/75/54/1105237554.db2.gz FOFLTCZWIRNUBW-INIZCTEOSA-N 0 0 311.385 3.458 20 10 DGCDRN CC1(C)C=Cc2c(O)c(CN3CCC(=O)[C@@H](F)CC3)ccc2O1 ZINC001249223343 1105249913 /nfs/dbraw/zinc/24/99/13/1105249913.db2.gz DTHKMHRAHKVBKU-AWEZNQCLSA-N 0 0 319.376 3.079 20 10 DGCDRN COc1ccc(N2CCN(Cc3cc(C)sn3)CC2)c(C)c1 ZINC001249592484 1105327177 /nfs/dbraw/zinc/32/71/77/1105327177.db2.gz ONMYULHHOPEHTQ-UHFFFAOYSA-N 0 0 317.458 3.091 20 10 DGCDRN Cn1c2ccccc2nc1-c1ccc(N2CCC(O)CC2)cc1 ZINC001250857660 1105595442 /nfs/dbraw/zinc/59/54/42/1105595442.db2.gz ITLSAWYGWDGGBV-UHFFFAOYSA-N 0 0 307.397 3.201 20 10 DGCDRN O=S(=O)(Nc1ccc(O)cc1C(F)(F)F)c1ccccc1 ZINC001251149282 1105632379 /nfs/dbraw/zinc/63/23/79/1105632379.db2.gz TUIZUYCOGRWWSA-UHFFFAOYSA-N 0 0 317.288 3.212 20 10 DGCDRN CCn1c(-c2cc(O)c(O)cc2O)nc2ccc(F)c(F)c21 ZINC001251355460 1105652435 /nfs/dbraw/zinc/65/24/35/1105652435.db2.gz MIYIEVXOHRSPLZ-UHFFFAOYSA-N 0 0 306.268 3.118 20 10 DGCDRN CCCC[C@H](O)CN1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001252090709 1105737616 /nfs/dbraw/zinc/73/76/16/1105737616.db2.gz YQFKSAAMDAHOLN-AWEZNQCLSA-N 0 0 316.445 3.096 20 10 DGCDRN CCc1ccc(-c2nnc(-c3cc(O)c(O)c(OC)c3)o2)cc1 ZINC001253027130 1105879033 /nfs/dbraw/zinc/87/90/33/1105879033.db2.gz RFHFQCNWRHDNRA-UHFFFAOYSA-N 0 0 312.325 3.386 20 10 DGCDRN Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(O)cc2O)c1C ZINC001254104161 1106018120 /nfs/dbraw/zinc/01/81/20/1106018120.db2.gz OXPQLQJRUPXTIU-UHFFFAOYSA-N 0 0 321.398 3.132 20 10 DGCDRN Oc1cc2cc(-c3nnc(-c4cccc(F)c4)o3)[nH]c2cc1O ZINC001254150743 1106026324 /nfs/dbraw/zinc/02/63/24/1106026324.db2.gz PFASWKYAMMPPEJ-UHFFFAOYSA-N 0 0 311.272 3.435 20 10 DGCDRN Oc1ccc(-c2nnc([C@@H]3C[C@H]3c3ccccc3)o2)c(O)c1O ZINC001254512671 1106088461 /nfs/dbraw/zinc/08/84/61/1106088461.db2.gz KNYMFMOXTCWMDY-NWDGAFQWSA-N 0 0 310.309 3.125 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN([C@H]2CCSC2)C1 ZINC001255290083 1106216705 /nfs/dbraw/zinc/21/67/05/1106216705.db2.gz WMEYPTZVLJBCQP-LBPRGKRZSA-N 0 0 302.443 3.051 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN([C@@H]2CCSC2)C1 ZINC001255290082 1106216769 /nfs/dbraw/zinc/21/67/69/1106216769.db2.gz WMEYPTZVLJBCQP-GFCCVEGCSA-N 0 0 302.443 3.051 20 10 DGCDRN COc1ccc(CNC(=O)NC[C@H]2C[C@H]2C2CCCC2)c(O)c1 ZINC001256435446 1106422262 /nfs/dbraw/zinc/42/22/62/1106422262.db2.gz FVSLAOYOLZMWCM-ZBFHGGJFSA-N 0 0 318.417 3.026 20 10 DGCDRN Cc1ccn(Cc2nnc(-c3ccc(-n4cccc4)cc3)o2)n1 ZINC001256951416 1106515237 /nfs/dbraw/zinc/51/52/37/1106515237.db2.gz HPCGTYLEWDBTHR-UHFFFAOYSA-N 0 0 305.341 3.081 20 10 DGCDRN OCc1ccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)o1 ZINC001256974678 1106519157 /nfs/dbraw/zinc/51/91/57/1106519157.db2.gz GUBIYWDDUPGLON-UHFFFAOYSA-N 0 0 307.309 3.280 20 10 DGCDRN CCc1cc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)nn1C ZINC001256978361 1106519613 /nfs/dbraw/zinc/51/96/13/1106519613.db2.gz GYEKOBGOAFHIJZ-UHFFFAOYSA-N 0 0 319.368 3.490 20 10 DGCDRN Cc1ccnc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)n1 ZINC001256978961 1106520443 /nfs/dbraw/zinc/52/04/43/1106520443.db2.gz ZKIWHCOHMSREIN-UHFFFAOYSA-N 0 0 303.325 3.293 20 10 DGCDRN c1ccn(-c2ccc(-c3nnc(-c4n[nH]c5c4CCC5)o3)cc2)c1 ZINC001256995596 1106522725 /nfs/dbraw/zinc/52/27/25/1106522725.db2.gz BTUCEKILBZPLTO-UHFFFAOYSA-N 0 0 317.352 3.406 20 10 DGCDRN Cc1ccc([C@H]2C[C@@H]2c2nnc(-c3cc(O)c(O)c(O)c3)o2)cc1 ZINC001257209503 1106551871 /nfs/dbraw/zinc/55/18/71/1106551871.db2.gz LBHOSPOSLKLPQM-OLZOCXBDSA-N 0 0 324.336 3.433 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1ccc([S@](C)=O)cc1 ZINC001320199466 1106925905 /nfs/dbraw/zinc/92/59/05/1106925905.db2.gz GYPJNKFQLCRGJY-QFIPXVFZSA-N 0 0 315.438 3.385 20 10 DGCDRN COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC001320717503 1107114749 /nfs/dbraw/zinc/11/47/49/1107114749.db2.gz SHNXHOZTSCXZMY-JQWIXIFHSA-N 0 0 318.200 3.130 20 10 DGCDRN CN(Cc1cc2ccccc2[nH]1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001320757235 1107126741 /nfs/dbraw/zinc/12/67/41/1107126741.db2.gz VFGNBAOZEBTRMP-CLFYSBASSA-N 0 0 322.364 3.251 20 10 DGCDRN Cc1cc(NS(=O)(=O)c2ccc(C)c(F)c2)c(C)cc1O ZINC001259479004 1107146927 /nfs/dbraw/zinc/14/69/27/1107146927.db2.gz HZHPZWAUZILXTO-UHFFFAOYSA-N 0 0 309.362 3.257 20 10 DGCDRN Cc1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2C)cc1F ZINC001259479856 1107147120 /nfs/dbraw/zinc/14/71/20/1107147120.db2.gz IPJXHLUWMSHUCB-UHFFFAOYSA-N 0 0 309.362 3.257 20 10 DGCDRN Cc1cc(F)ccc1S(=O)(=O)Nc1cccc(N(C)C)c1 ZINC001259491109 1107150494 /nfs/dbraw/zinc/15/04/94/1107150494.db2.gz IPVUSGLZTSXUOT-UHFFFAOYSA-N 0 0 308.378 3.001 20 10 DGCDRN Cc1cc(C)c(CNS(=O)(=O)CC2CCCCC2)c(O)c1 ZINC001259622455 1107174718 /nfs/dbraw/zinc/17/47/18/1107174718.db2.gz CMKJVNYDHVQQDE-UHFFFAOYSA-N 0 0 311.447 3.009 20 10 DGCDRN COC(=O)[C@H](C)N(Cc1ccc(N2CCCC2)cc1)C1CCC1 ZINC001321075982 1107241089 /nfs/dbraw/zinc/24/10/89/1107241089.db2.gz QCFVMXLQGQVTKS-HNNXBMFYSA-N 0 0 316.445 3.203 20 10 DGCDRN C/C=C\C[C@@H](NCc1ccc(N2CCCC2)cc1)C(=O)OCC ZINC001321148875 1107265548 /nfs/dbraw/zinc/26/55/48/1107265548.db2.gz ODSVVDOWVSGNEF-LKIHTYOGSA-N 0 0 316.445 3.274 20 10 DGCDRN O=S(=O)(Cc1cccc(Cl)c1)Nc1ccc(O)c(F)c1 ZINC001260832690 1107324309 /nfs/dbraw/zinc/32/43/09/1107324309.db2.gz ZWRHQWDEBFJERS-UHFFFAOYSA-N 0 0 315.753 3.127 20 10 DGCDRN O=C([N-]c1c2nonc2ccc1Cl)c1nc(Cl)cs1 ZINC001261140549 1107351041 /nfs/dbraw/zinc/35/10/41/1107351041.db2.gz WSGZEJNBVOZCEN-UHFFFAOYSA-N 0 0 315.141 3.238 20 10 DGCDRN CC[C@@H](C)N(CC)C(=O)NCc1ccc2c(c1)CCCN2C ZINC001261655504 1107495322 /nfs/dbraw/zinc/49/53/22/1107495322.db2.gz YHDWAHJXMUQEBS-CQSZACIVSA-N 0 0 303.450 3.399 20 10 DGCDRN Cc1ccc2c(c1)S[C@@H](C(=O)N1Cc3cccc(O)c3C1)C2 ZINC001262024102 1107580667 /nfs/dbraw/zinc/58/06/67/1107580667.db2.gz PEIYOPURPNLJIN-QGZVFWFLSA-N 0 0 311.406 3.260 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC001262030762 1107584356 /nfs/dbraw/zinc/58/43/56/1107584356.db2.gz VTNYIZQFNVXWLL-UHFFFAOYSA-N 0 0 311.372 3.499 20 10 DGCDRN Nc1ccc(CNc2ccc(CCC(=O)N3CCCC3)cc2)cc1 ZINC001262488019 1107718718 /nfs/dbraw/zinc/71/87/18/1107718718.db2.gz NEXWRPMXBILNRJ-UHFFFAOYSA-N 0 0 323.440 3.436 20 10 DGCDRN CCN(CC)c1ccc(CNc2c(C)cncc2[N+](=O)[O-])cc1 ZINC001322672146 1107731070 /nfs/dbraw/zinc/73/10/70/1107731070.db2.gz WUKKKGSFXGXGCF-UHFFFAOYSA-N 0 0 314.389 3.178 20 10 DGCDRN CC(C)CN1C(=O)c2ccccc2N[C@@H]1c1cc(O)ccc1O ZINC001317888841 1107737701 /nfs/dbraw/zinc/73/77/01/1107737701.db2.gz BRFCGWLPRMHVQP-KRWDZBQOSA-N 0 0 312.369 3.320 20 10 DGCDRN CCn1c(-c2coc(C)c2)nnc1N(C)Cc1ccccc1O ZINC001263035789 1107916824 /nfs/dbraw/zinc/91/68/24/1107916824.db2.gz FSKNIEZOCUIFFK-UHFFFAOYSA-N 0 0 312.373 3.208 20 10 DGCDRN CCC[C@H]1C[C@H](C(=O)Nc2c3nonc3ccc2Cl)CCO1 ZINC001323420857 1107969464 /nfs/dbraw/zinc/96/94/64/1107969464.db2.gz ZOSXNTLMGMAIOD-ZJUUUORDSA-N 0 0 323.780 3.410 20 10 DGCDRN CC1CCC(OCC(=O)Nc2c3nonc3ccc2Cl)CC1 ZINC001323484670 1107986836 /nfs/dbraw/zinc/98/68/36/1107986836.db2.gz ZMWPTFBHEOROOP-UHFFFAOYSA-N 0 0 323.780 3.410 20 10 DGCDRN CC(C)OC[C@H](O)CNc1ccccc1OCc1ccccc1 ZINC000381073220 1108090332 /nfs/dbraw/zinc/09/03/32/1108090332.db2.gz QAWBWEBDOLYERR-QGZVFWFLSA-N 0 0 315.413 3.463 20 10 DGCDRN CC(C)OC[C@@H](O)CNc1ccccc1OCc1ccccc1 ZINC000381073218 1108090349 /nfs/dbraw/zinc/09/03/49/1108090349.db2.gz QAWBWEBDOLYERR-KRWDZBQOSA-N 0 0 315.413 3.463 20 10 DGCDRN NC(=O)CCc1ccc(NCc2cc(Cl)c(F)cc2O)cc1 ZINC001324276357 1108232533 /nfs/dbraw/zinc/23/25/33/1108232533.db2.gz XIKMYBVQUVGKJH-UHFFFAOYSA-N 0 0 322.767 3.215 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)C(C)(C)C3CC3)CC2)cc1 ZINC001324320329 1108249350 /nfs/dbraw/zinc/24/93/50/1108249350.db2.gz UDZPIJCARNSEHT-UHFFFAOYSA-N 0 0 316.445 3.170 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1C[C@@H]1Cc1ccccc1 ZINC001264009200 1108337422 /nfs/dbraw/zinc/33/74/22/1108337422.db2.gz LPLREGPENZHPDH-NNTYKDFWSA-N 0 0 323.392 3.106 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)/C=C\C(C)(C)C)CC2)cc1 ZINC001319397484 1108446199 /nfs/dbraw/zinc/44/61/99/1108446199.db2.gz PPMNPBSSARRZAR-KHPPLWFESA-N 0 0 316.445 3.336 20 10 DGCDRN Cc1csc(CCC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC001325340125 1108626677 /nfs/dbraw/zinc/62/66/77/1108626677.db2.gz NMJNSCPNBYTMBI-NSHDSACASA-N 0 0 321.402 3.349 20 10 DGCDRN CCOC(=O)c1ccccc1N(C)C(=O)/C=C\c1cccnc1C ZINC001264962044 1108683836 /nfs/dbraw/zinc/68/38/36/1108683836.db2.gz VKISGCUWNVRIPC-QXMHVHEDSA-N 0 0 324.380 3.243 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001265457703 1108879211 /nfs/dbraw/zinc/87/92/11/1108879211.db2.gz SDLPWFRLGRAZRY-ZIAGYGMSSA-N 0 0 302.418 3.160 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC001287542657 1110119284 /nfs/dbraw/zinc/11/92/84/1110119284.db2.gz OTPJOLFWBCELFF-PKOBYXMFSA-N 0 0 324.424 3.391 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cccnc2SC(F)F)c1 ZINC001301041699 1111079927 /nfs/dbraw/zinc/07/99/27/1111079927.db2.gz PEUOHQWDKOOQIC-UHFFFAOYSA-N 0 0 324.352 3.340 20 10 DGCDRN C[C@@H](C1CC1)N(C(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001302472664 1111115866 /nfs/dbraw/zinc/11/58/66/1111115866.db2.gz CRAOSHWNPQTSPR-ZDUSSCGKSA-N 0 0 311.381 3.472 20 10 DGCDRN C[C@H](NC(=O)c1cc2c(c(Cl)c1)OCO2)c1ccccc1O ZINC001302532505 1111117080 /nfs/dbraw/zinc/11/70/80/1111117080.db2.gz GLXZBXDZNKVRSP-VIFPVBQESA-N 0 0 319.744 3.265 20 10 DGCDRN C[C@H](NC(=O)C(F)(F)Cc1ccccc1)c1ccccc1O ZINC001302538248 1111117200 /nfs/dbraw/zinc/11/72/00/1111117200.db2.gz KXBAZWMQUZRXOW-LBPRGKRZSA-N 0 0 305.324 3.447 20 10 DGCDRN C[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1O ZINC001302532533 1111117301 /nfs/dbraw/zinc/11/73/01/1111117301.db2.gz HOIHHOKADJKKJO-VIFPVBQESA-N 0 0 320.732 3.445 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)Cc2ncccn2)cc1 ZINC001302935401 1111129515 /nfs/dbraw/zinc/12/95/15/1111129515.db2.gz GYECRQUPPMLEFB-UHFFFAOYSA-N 0 0 320.396 3.156 20 10 DGCDRN C[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@@H]1c1ccccc1 ZINC001303504817 1111145384 /nfs/dbraw/zinc/14/53/84/1111145384.db2.gz HRVNDVHHHBNPDW-DJJJIMSYSA-N 0 0 311.381 3.250 20 10 DGCDRN CSc1c(F)cccc1C(=O)NCc1c(O)cccc1F ZINC001303875485 1111156696 /nfs/dbraw/zinc/15/66/96/1111156696.db2.gz JBMWRYNJBIRZCM-UHFFFAOYSA-N 0 0 309.337 3.322 20 10 DGCDRN C[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])c1ccccc1O ZINC001307188863 1111276775 /nfs/dbraw/zinc/27/67/75/1111276775.db2.gz UEUSEHZTRXHFFG-MRVPVSSYSA-N 0 0 304.331 3.183 20 10 DGCDRN Cc1cnc([C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C2CC2)s1 ZINC001308291355 1111412127 /nfs/dbraw/zinc/41/21/27/1111412127.db2.gz XSYPOBYBWPHUOD-AWEZNQCLSA-N 0 0 319.386 3.306 20 10 DGCDRN O=C1CCN1c1cccc(NCc2cc(F)cc(F)c2O)c1 ZINC001308392050 1111425174 /nfs/dbraw/zinc/42/51/74/1111425174.db2.gz OLGCVVWNXXLWDC-UHFFFAOYSA-N 0 0 304.296 3.019 20 10 DGCDRN O=c1[nH]c2ccc(NCc3cc(Cl)cc(F)c3O)cc2[nH]1 ZINC001308429535 1111427975 /nfs/dbraw/zinc/42/79/75/1111427975.db2.gz WZSNCAJEQHYLBK-UHFFFAOYSA-N 0 0 307.712 3.379 20 10 DGCDRN CN(C)c1ccc(CNc2cn(C)nc2-c2ccco2)cc1F ZINC001308469188 1111432046 /nfs/dbraw/zinc/43/20/46/1111432046.db2.gz MXYIDQKETXPYKU-UHFFFAOYSA-N 0 0 314.364 3.497 20 10 DGCDRN CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC001308493656 1111435031 /nfs/dbraw/zinc/43/50/31/1111435031.db2.gz YLFBIFZFLXBLQL-PHIMTYICSA-N 0 0 311.809 3.256 20 10 DGCDRN CC1(C)CC[C@@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)OC1 ZINC001308503037 1111435341 /nfs/dbraw/zinc/43/53/41/1111435341.db2.gz KTYOQYOTAXNCQL-JTQLQIEISA-N 0 0 301.789 3.480 20 10 DGCDRN COC(=O)C1(C[NH2+]Cc2cccc(Cl)c2[O-])CCCCC1 ZINC001308686090 1111460441 /nfs/dbraw/zinc/46/04/41/1111460441.db2.gz YGVLOMNXDMBNTC-UHFFFAOYSA-N 0 0 311.809 3.259 20 10 DGCDRN CN(C(N)=O)c1cccc(NCc2cccc(Cl)c2O)c1 ZINC001308733866 1111467748 /nfs/dbraw/zinc/46/77/48/1111467748.db2.gz ZLOYTEFVBYJJQW-UHFFFAOYSA-N 0 0 305.765 3.173 20 10 DGCDRN Cc1cc(O)c(CNc2ccc(C(N)=O)cc2C)cc1Cl ZINC001308961566 1111500852 /nfs/dbraw/zinc/50/08/52/1111500852.db2.gz XIBLZGQTGUWUIP-UHFFFAOYSA-N 0 0 304.777 3.373 20 10 DGCDRN O=C(Nc1ccc(-c2cc[nH]n2)cc1)N1Cc2cccc(O)c2C1 ZINC001310279564 1111555558 /nfs/dbraw/zinc/55/55/58/1111555558.db2.gz SASPFJYKZLYBQZ-UHFFFAOYSA-N 0 0 320.352 3.330 20 10 DGCDRN CC[C@@H](C)c1ncc(NC(=O)N2Cc3cccc(O)c3C2)cn1 ZINC001310631636 1111566494 /nfs/dbraw/zinc/56/64/94/1111566494.db2.gz SZDBMEOSVNYKDT-LLVKDONJSA-N 0 0 312.373 3.243 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCC2CCC=CCC2)cc1 ZINC001311544595 1111607074 /nfs/dbraw/zinc/60/70/74/1111607074.db2.gz CGEQDKVJBAFOHF-UHFFFAOYSA-N 0 0 301.434 3.298 20 10 DGCDRN CSc1ccc(CNC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC001312524721 1111658472 /nfs/dbraw/zinc/65/84/72/1111658472.db2.gz CKUVVSUJIMECOJ-UHFFFAOYSA-N 0 0 314.410 3.340 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@@H](C)[C@H]1C ZINC001312883411 1111679653 /nfs/dbraw/zinc/67/96/53/1111679653.db2.gz CSFTWNQSEFTRLL-VNQPRFMTSA-N 0 0 317.477 3.432 20 10 DGCDRN O=C(NCc1ccccc1O)NCC1CCc2ccccc2CC1 ZINC001313071970 1111692828 /nfs/dbraw/zinc/69/28/28/1111692828.db2.gz SUQDFISHEOTBPL-UHFFFAOYSA-N 0 0 324.424 3.387 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]CCSCCC(F)(F)F ZINC001621482089 1193849009 /nfs/dbraw/zinc/84/90/09/1193849009.db2.gz KMUCEGPGHWPVGU-UHFFFAOYSA-N 0 0 315.307 3.446 20 10 DGCDRN C[C@@H](CNC(=O)N(C)Cc1ccccc1O)Cc1cccs1 ZINC000074627367 185003987 /nfs/dbraw/zinc/00/39/87/185003987.db2.gz JMWONLRXKOSVPR-CYBMUJFWSA-N 0 0 318.442 3.474 20 10 DGCDRN CCSCC[C@@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000076786617 185041393 /nfs/dbraw/zinc/04/13/93/185041393.db2.gz IJDDUKKNXWBHEI-CQSZACIVSA-N 0 0 323.506 3.426 20 10 DGCDRN CCc1ncsc1C(=O)NCc1c(C)c2ccccc2n1C ZINC000348632024 529762963 /nfs/dbraw/zinc/76/29/63/529762963.db2.gz CDJPTHFXTFHWAC-UHFFFAOYSA-N 0 0 313.426 3.436 20 10 DGCDRN COCCCNC(=O)[C@H](C)Sc1ncc(C(C)(C)C)s1 ZINC000164299044 432046601 /nfs/dbraw/zinc/04/66/01/432046601.db2.gz RLKZUQWXJHIAAS-JTQLQIEISA-N 0 0 316.492 3.074 20 10 DGCDRN Cc1cccc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c1O ZINC000179679876 432067203 /nfs/dbraw/zinc/06/72/03/432067203.db2.gz KKYFAQZYAWZNNR-UHFFFAOYSA-N 0 0 317.820 3.071 20 10 DGCDRN C[C@H]([NH2+]CC1(O)CCCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273565990 299283553 /nfs/dbraw/zinc/28/35/53/299283553.db2.gz JMMFRHAZKYQDHF-LBPRGKRZSA-N 0 0 308.378 3.036 20 10 DGCDRN O=[N+]([O-])c1ccccc1/C=C/CN1C[C@@H](O)Cc2ccccc21 ZINC000435041338 238267628 /nfs/dbraw/zinc/26/76/28/238267628.db2.gz PJXWIJBMOXABRC-WHWKNOJMSA-N 0 0 310.353 3.032 20 10 DGCDRN O=C(/C=C/c1cncs1)N1CCC[C@H](O)c2cc(F)ccc21 ZINC000493610040 283726248 /nfs/dbraw/zinc/72/62/48/283726248.db2.gz FJOGBPUQRNDKAZ-DRDHIDPGSA-N 0 0 318.373 3.156 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC(CF)CC1 ZINC000454873333 242053899 /nfs/dbraw/zinc/05/38/99/242053899.db2.gz KUZRWRFZEHKNNN-UHFFFAOYSA-N 0 0 317.408 3.378 20 10 DGCDRN C[C@@H]([NH2+]CCCC(=O)N(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185194535 296121385 /nfs/dbraw/zinc/12/13/85/296121385.db2.gz MDGWJCMMZZYTDQ-SECBINFHSA-N 0 0 319.232 3.218 20 10 DGCDRN Cc1ccc(O)c(CN2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC000092975802 193191857 /nfs/dbraw/zinc/19/18/57/193191857.db2.gz BCDMEBMZLIKTSF-GOSISDBHSA-N 0 0 301.361 3.413 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cccc2c1OCO2 ZINC000471228642 244207092 /nfs/dbraw/zinc/20/70/92/244207092.db2.gz ZGPAJVOMKFYSFV-UHFFFAOYSA-N 0 0 322.364 3.145 20 10 DGCDRN CCc1cccnc1C(=O)NCc1c(C)c2ccccc2n1C ZINC000471217826 244207129 /nfs/dbraw/zinc/20/71/29/244207129.db2.gz DNAWGXJFCSNFHR-UHFFFAOYSA-N 0 0 307.397 3.374 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cc1cccc(F)c1 ZINC000471227304 244207457 /nfs/dbraw/zinc/20/74/57/244207457.db2.gz IKRMCORXAUXJHB-UHFFFAOYSA-N 0 0 310.372 3.485 20 10 DGCDRN COc1cc(N(C)Cc2ncccc2C)cc(OC)c1OC ZINC000093176090 193212257 /nfs/dbraw/zinc/21/22/57/193212257.db2.gz GKDWFCFJBRAKMR-UHFFFAOYSA-N 0 0 302.374 3.052 20 10 DGCDRN CCOc1ccc(O)c(CN2CCOC[C@H]2c2ccc(C)o2)c1 ZINC000093460044 193254934 /nfs/dbraw/zinc/25/49/34/193254934.db2.gz DRPLYWZTWPHBJV-INIZCTEOSA-N 0 0 317.385 3.266 20 10 DGCDRN CCO[C@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000042423872 183268445 /nfs/dbraw/zinc/26/84/45/183268445.db2.gz AYCITAFVOIDFKU-AWEZNQCLSA-N 0 0 311.809 3.249 20 10 DGCDRN COc1cccc(CNC(=O)[C@H](C)Cc2cccc(F)c2)c1O ZINC000105651003 194117634 /nfs/dbraw/zinc/11/76/34/194117634.db2.gz AVVIRZNFEGAYSI-GFCCVEGCSA-N 0 0 317.360 3.035 20 10 DGCDRN CNc1c(Cl)ncnc1NCc1ccc(N(C)C)cc1C ZINC000302602105 533045645 /nfs/dbraw/zinc/04/56/45/533045645.db2.gz YUAZFPVYNNYROL-UHFFFAOYSA-N 0 0 305.813 3.158 20 10 DGCDRN C[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC12CCC2 ZINC000272632812 130048820 /nfs/dbraw/zinc/04/88/20/130048820.db2.gz KNEKSQHJQMCNHP-DIECRNLCSA-N 0 0 301.386 3.150 20 10 DGCDRN Cc1nscc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000272898854 130072847 /nfs/dbraw/zinc/07/28/47/130072847.db2.gz JGIJGVZJLSVYEP-UHFFFAOYSA-N 0 0 315.442 3.322 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(F)cn1 ZINC000272984671 130080131 /nfs/dbraw/zinc/08/01/31/130080131.db2.gz ZGDAFGBTSBRPQO-UHFFFAOYSA-N 0 0 315.392 3.338 20 10 DGCDRN CC(C)[N@H+](CCO)Cc1ccc(OCc2ccccc2)cc1O ZINC000273341007 130108285 /nfs/dbraw/zinc/10/82/85/130108285.db2.gz ANQNAXCHTVCLCK-UHFFFAOYSA-N 0 0 315.413 3.174 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)c2nccs2)c1 ZINC000273395233 130116407 /nfs/dbraw/zinc/11/64/07/130116407.db2.gz FHNIXYAUVATNLF-WDEREUQCSA-N 0 0 320.414 3.090 20 10 DGCDRN C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000273427528 130120801 /nfs/dbraw/zinc/12/08/01/130120801.db2.gz UQCMOPPVOFCQLN-GXTWGEPZSA-N 0 0 321.367 3.172 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-])c1ccncc1 ZINC000273587978 130140395 /nfs/dbraw/zinc/14/03/95/130140395.db2.gz OJKGYCIYYHIGNX-BLLLJJGKSA-N 0 0 314.385 3.376 20 10 DGCDRN Cc1noc(C)c1C[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273605873 130144180 /nfs/dbraw/zinc/14/41/80/130144180.db2.gz TZXRWYLBMPIWDL-UWVGGRQHSA-N 0 0 319.361 3.187 20 10 DGCDRN Cc1nc(C)c(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000273611050 130144416 /nfs/dbraw/zinc/14/44/16/130144416.db2.gz VWCGMDUPOCSVQY-QMMMGPOBSA-N 0 0 307.375 3.225 20 10 DGCDRN COc1cc(Cl)cc(CN2CCOC3(CCCC3)C2)c1O ZINC000273786609 130166914 /nfs/dbraw/zinc/16/69/14/130166914.db2.gz UOMFGWLRSHUHJW-UHFFFAOYSA-N 0 0 311.809 3.199 20 10 DGCDRN CCOc1cccc(NCc2cccc(OC)c2O)c1[N+](=O)[O-] ZINC000273922010 130187073 /nfs/dbraw/zinc/18/70/73/130187073.db2.gz ZVKFOHZQNUDRFK-UHFFFAOYSA-N 0 0 318.329 3.320 20 10 DGCDRN C[C@@H]1C(=O)CC[C@H](C(=O)NCc2ccc(N(C)C)cc2)C1(C)C ZINC000275565371 130338139 /nfs/dbraw/zinc/33/81/39/130338139.db2.gz WUTSIRSRIGDCHL-CZUORRHYSA-N 0 0 316.445 3.010 20 10 DGCDRN Cn1ccc(C=CC(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)c1 ZINC000276838832 130551663 /nfs/dbraw/zinc/55/16/63/130551663.db2.gz CIXAXHLFCPKSFI-GPAKFWEMSA-N 0 0 306.365 3.145 20 10 DGCDRN COc1cccc(CNC(=O)[C@@H](F)CC2CCCCC2)c1O ZINC000279720523 130759863 /nfs/dbraw/zinc/75/98/63/130759863.db2.gz BQFZQCDQYAELKO-AWEZNQCLSA-N 0 0 309.381 3.326 20 10 DGCDRN Cc1cccc(CNc2ccc(OC(C)C)c(C(N)=O)c2)c1O ZINC000280168815 130787983 /nfs/dbraw/zinc/78/79/83/130787983.db2.gz FUMQQUOJPOJOGR-UHFFFAOYSA-N 0 0 314.385 3.199 20 10 DGCDRN Cc1cscc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000281257423 130847766 /nfs/dbraw/zinc/84/77/66/130847766.db2.gz FMIRCCBDILRNAW-JTQLQIEISA-N 0 0 306.387 3.220 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCCO1 ZINC000283761190 131019950 /nfs/dbraw/zinc/01/99/50/131019950.db2.gz MXGMHYLUKYZOSP-INIZCTEOSA-N 0 0 320.433 3.273 20 10 DGCDRN CCc1nn(C)c(OC)c1C[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000286055483 131218044 /nfs/dbraw/zinc/21/80/44/131218044.db2.gz LFOIFFZMWKGMAU-AWEZNQCLSA-N 0 0 321.396 3.077 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000286686925 131246389 /nfs/dbraw/zinc/24/63/89/131246389.db2.gz GKMXXWGWTZMWLJ-RBSFLKMASA-N 0 0 303.402 3.321 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000286869528 131253351 /nfs/dbraw/zinc/25/33/51/131253351.db2.gz YRSKWIKSGHZKMT-OWCLPIDISA-N 0 0 317.429 3.363 20 10 DGCDRN C[C@@H]([NH2+]CC(C)(C)OCCO)c1cc(Cl)c(Cl)cc1[O-] ZINC000287421143 131279551 /nfs/dbraw/zinc/27/95/51/131279551.db2.gz SGDHRERYJJVDPK-SECBINFHSA-N 0 0 322.232 3.137 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCCSC1 ZINC000288115459 131313186 /nfs/dbraw/zinc/31/31/86/131313186.db2.gz XUIPEUUVDLRLKG-CQSZACIVSA-N 0 0 322.474 3.457 20 10 DGCDRN CN(C)c1ccc(CNc2nnc(C3CCOCC3)s2)cc1 ZINC000292713246 131670512 /nfs/dbraw/zinc/67/05/12/131670512.db2.gz HLUDRBRDZAGJQS-UHFFFAOYSA-N 0 0 318.446 3.110 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ncoc1C1CC1 ZINC000293784053 131769304 /nfs/dbraw/zinc/76/93/04/131769304.db2.gz UJEZICJBNCUTMH-UHFFFAOYSA-N 0 0 312.369 3.066 20 10 DGCDRN COCc1cccc(CSc2ncc(C(=O)OC)s2)c1 ZINC000295364768 131899549 /nfs/dbraw/zinc/89/95/49/131899549.db2.gz RWTHHBQYMWDZEM-UHFFFAOYSA-N 0 0 309.412 3.368 20 10 DGCDRN COC(=O)c1cnc(S[C@H](C)c2nc(C(C)C)no2)s1 ZINC000295414076 131902174 /nfs/dbraw/zinc/90/21/74/131902174.db2.gz XOSYSKULDTXUOY-SSDOTTSWSA-N 0 0 313.404 3.289 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C)c(C)n1 ZINC000298030248 132044885 /nfs/dbraw/zinc/04/48/85/132044885.db2.gz FKMMKZJDUQKFFK-UHFFFAOYSA-N 0 0 311.429 3.427 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)CC[C@H]2CCCO2)C2CC2)cc1 ZINC000298305791 132054902 /nfs/dbraw/zinc/05/49/02/132054902.db2.gz CCAWXSIOLVHSMT-GOSISDBHSA-N 0 0 316.445 3.203 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)CCc2ccco2)C2CC2)cc1 ZINC000298364847 132058565 /nfs/dbraw/zinc/05/85/65/132058565.db2.gz KDFDLYRDDLDOPE-UHFFFAOYSA-N 0 0 312.413 3.469 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1[nH]nc2ccccc21 ZINC000298370575 132058719 /nfs/dbraw/zinc/05/87/19/132058719.db2.gz DOUSAJYPGYIOFL-UHFFFAOYSA-N 0 0 320.396 3.093 20 10 DGCDRN COCCCCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000299321650 132098488 /nfs/dbraw/zinc/09/84/88/132098488.db2.gz IYBFCIXWQDCFSX-UHFFFAOYSA-N 0 0 304.434 3.060 20 10 DGCDRN COCCCCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000299345126 132100803 /nfs/dbraw/zinc/10/08/03/132100803.db2.gz REDDKWFGHVXZBX-UHFFFAOYSA-N 0 0 306.450 3.306 20 10 DGCDRN COc1cc(NCc2ccc(N(C)C)cc2)ccc1NC(C)=O ZINC000121264714 132152687 /nfs/dbraw/zinc/15/26/87/132152687.db2.gz FOAXBRLVKYCBFI-UHFFFAOYSA-N 0 0 313.401 3.332 20 10 DGCDRN Cc1ccc(/C=C\C(=O)N2C[C@H](C)C(=O)Nc3ccccc32)cn1 ZINC000493466473 292040902 /nfs/dbraw/zinc/04/09/02/292040902.db2.gz RVRNLGUTKHFXOQ-XPSMFNQNSA-N 0 0 321.380 3.025 20 10 DGCDRN Cc1ccc(C(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)c(O)c1O ZINC000182452975 292069808 /nfs/dbraw/zinc/06/98/08/292069808.db2.gz ZPJFBVKAUSVANG-DZGCQCFKSA-N 0 0 311.381 3.424 20 10 DGCDRN COc1cccc(CNC(=O)c2csc3c2CCCC3)c1O ZINC000068488783 400265772 /nfs/dbraw/zinc/26/57/72/400265772.db2.gz DXDIHXFQDYBBHW-UHFFFAOYSA-N 0 0 317.410 3.271 20 10 DGCDRN Cc1ccc(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000028333567 400288750 /nfs/dbraw/zinc/28/87/50/400288750.db2.gz MKFGMFQNVHVVHN-UHFFFAOYSA-N 0 0 322.408 3.094 20 10 DGCDRN C[C@H]1CN(C(=O)c2c[nH]nc2-c2cccnc2)c2ccccc21 ZINC000107047181 400333259 /nfs/dbraw/zinc/33/32/59/400333259.db2.gz QQMNJQOQGXNQLQ-LBPRGKRZSA-N 0 0 304.353 3.236 20 10 DGCDRN CC[C@H]1CCCC[C@@H]1NC(=O)NCc1cccc(OC)c1O ZINC000073748198 400467514 /nfs/dbraw/zinc/46/75/14/400467514.db2.gz CQTMCFSEBVSMJE-JSGCOSHPSA-N 0 0 306.406 3.169 20 10 DGCDRN O=C(CSC(F)(F)F)NCc1ccc(N2CCCC2)cc1 ZINC000073955026 400481366 /nfs/dbraw/zinc/48/13/66/400481366.db2.gz RODLCCQQSKYWCV-UHFFFAOYSA-N 0 0 318.364 3.156 20 10 DGCDRN Cc1ccsc1CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000045544174 400527565 /nfs/dbraw/zinc/52/75/65/400527565.db2.gz ZMMVWQYHLLILKL-UHFFFAOYSA-N 0 0 317.458 3.464 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 ZINC000139149452 400602994 /nfs/dbraw/zinc/60/29/94/400602994.db2.gz SJTGFAAPPXLMTE-RBUKOAKNSA-N 0 0 323.440 3.348 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc(F)cc1 ZINC000052851236 400749970 /nfs/dbraw/zinc/74/99/70/400749970.db2.gz GAQMQHCIBXRNDZ-UHFFFAOYSA-N 0 0 314.404 3.483 20 10 DGCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cn1 ZINC000078627244 400815176 /nfs/dbraw/zinc/81/51/76/400815176.db2.gz PDMUEVUAVVGIRD-UHFFFAOYSA-N 0 0 317.820 3.208 20 10 DGCDRN Cc1sc2ncnc(NCCc3ccc(O)c(O)c3)c2c1C ZINC000078715624 400821726 /nfs/dbraw/zinc/82/17/26/400821726.db2.gz GQRXFXYUTJQMRA-UHFFFAOYSA-N 0 0 315.398 3.374 20 10 DGCDRN CCOC(CC[NH2+][C@H](C)c1ccc(F)c(F)c1[O-])OCC ZINC000276109686 285987141 /nfs/dbraw/zinc/98/71/41/285987141.db2.gz AMJDSLQOAAAFNW-SNVBAGLBSA-N 0 0 303.349 3.110 20 10 DGCDRN C[C@H](Nc1ncccc1F)c1ccc(N2CCOCC2)cc1 ZINC000084484954 401143690 /nfs/dbraw/zinc/14/36/90/401143690.db2.gz CTNLAFPUDQPOFR-ZDUSSCGKSA-N 0 0 301.365 3.230 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2C=C[C@H](CO)C2)c(C)n1-c1ccccc1C ZINC000081766427 401094112 /nfs/dbraw/zinc/09/41/12/401094112.db2.gz XSGLTGASIQQYSD-DLBZAZTESA-N 0 0 324.424 3.069 20 10 DGCDRN CCOc1ccc(CCC(=O)N(C)Cc2ccccc2O)cc1 ZINC000065645295 401275014 /nfs/dbraw/zinc/27/50/14/401275014.db2.gz ZMUXMMJKXZGRMH-UHFFFAOYSA-N 0 0 313.397 3.382 20 10 DGCDRN C[C@H](CC(=O)N1CCOc2cc(N(C)C)ccc21)c1ccco1 ZINC000625916005 401251473 /nfs/dbraw/zinc/25/14/73/401251473.db2.gz GRYJMAYHJAZIIU-CYBMUJFWSA-N 0 0 314.385 3.265 20 10 DGCDRN COc1cccc(CNc2ncnc3sc(C)cc32)c1O ZINC000090089524 401255393 /nfs/dbraw/zinc/25/53/93/401255393.db2.gz GDSARZGIVXRLQY-UHFFFAOYSA-N 0 0 301.371 3.326 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@](C)(OC)CC2)cc1OC ZINC000373670488 286248512 /nfs/dbraw/zinc/24/85/12/286248512.db2.gz HKDPPRQWHQAKOB-INIZCTEOSA-N 0 0 324.377 3.007 20 10 DGCDRN COc1ccc2c(c1)CCCCN2C[C@H]1CC2(CCC2)C(=O)O1 ZINC000276957000 286388866 /nfs/dbraw/zinc/38/88/66/286388866.db2.gz LQERHCWWSHCDAC-MRXNPFEDSA-N 0 0 315.413 3.324 20 10 DGCDRN CC[C@@H]([NH2+]CC(=O)N(C)CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000287685905 286902242 /nfs/dbraw/zinc/90/22/42/286902242.db2.gz MXAAQIWFNMHYIG-GFCCVEGCSA-N 0 0 319.232 3.218 20 10 DGCDRN Cc1ccccc1C1(C(=O)Nc2ccc(N)cc2)CCOCC1 ZINC000269115829 432153689 /nfs/dbraw/zinc/15/36/89/432153689.db2.gz HJRSSDKRLAVDSV-UHFFFAOYSA-N 0 0 310.397 3.264 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(CO)CC1 ZINC000269526931 432183042 /nfs/dbraw/zinc/18/30/42/432183042.db2.gz HZEHUMMMKBJZFV-UHFFFAOYSA-N 0 0 318.442 3.000 20 10 DGCDRN Oc1ccccc1CN(Cc1nccs1)C[C@H]1CCCO1 ZINC000269735708 432204602 /nfs/dbraw/zinc/20/46/02/432204602.db2.gz ZQVZTIQJOPQATO-CQSZACIVSA-N 0 0 304.415 3.030 20 10 DGCDRN COc1ccc(N(C)C[C@H](O)c2ccc(F)cc2)c(OC)c1 ZINC000269762260 432206212 /nfs/dbraw/zinc/20/62/12/432206212.db2.gz CFAPKWPQTYAFJR-INIZCTEOSA-N 0 0 305.349 3.013 20 10 DGCDRN CS[C@H](C)CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000270127084 432227644 /nfs/dbraw/zinc/22/76/44/432227644.db2.gz LOQBGDLQUILBFD-CYBMUJFWSA-N 0 0 306.475 3.385 20 10 DGCDRN C[C@@H]1CCCC[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000424706960 287305504 /nfs/dbraw/zinc/30/55/04/287305504.db2.gz ZSMVFJOIAOMXBX-UKRRQHHQSA-N 0 0 302.418 3.304 20 10 DGCDRN Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(c3ncccc3F)C2)c1 ZINC000185686611 228395265 /nfs/dbraw/zinc/39/52/65/228395265.db2.gz LDKLFHWNESRZHN-UONOGXRCSA-N 0 0 315.392 3.164 20 10 DGCDRN Cc1ccc2c(c1)CCN2Cc1cn(C)nc1-c1cccnc1 ZINC000272504849 228686745 /nfs/dbraw/zinc/68/67/45/228686745.db2.gz HWOVDGRTIRXMRG-UHFFFAOYSA-N 0 0 304.397 3.353 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)c1ccccn1 ZINC000349137173 229209201 /nfs/dbraw/zinc/20/92/01/229209201.db2.gz CBHXETQVEUOWMZ-AWEZNQCLSA-N 0 0 322.412 3.442 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cc1cccnc1C ZINC000355481134 229311358 /nfs/dbraw/zinc/31/13/58/229311358.db2.gz RHGNLCIBFHEOKL-UHFFFAOYSA-N 0 0 307.397 3.049 20 10 DGCDRN Cc1nnc(-c2cccc(NCc3cc(F)ccc3O)c2)n1C ZINC000373136636 229550701 /nfs/dbraw/zinc/55/07/01/229550701.db2.gz DEYFRUXJXRZBPB-UHFFFAOYSA-N 0 0 312.348 3.247 20 10 DGCDRN O[C@H](COc1ccccc1)COc1ccc(N2CCCC2)cc1 ZINC000270204193 432230352 /nfs/dbraw/zinc/23/03/52/432230352.db2.gz ZXEHOTPQIJIRHU-QGZVFWFLSA-N 0 0 313.397 3.106 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)C2SCCS2)C2CC2)cc1 ZINC000270457026 432248804 /nfs/dbraw/zinc/24/88/04/432248804.db2.gz DSISZJLNJXBWDZ-UHFFFAOYSA-N 0 0 322.499 3.050 20 10 DGCDRN CC[C@H]([NH2+]CC(C)(C)C(N)=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000287792455 288036308 /nfs/dbraw/zinc/03/63/08/288036308.db2.gz SVPAMVLCXGYHKU-NSHDSACASA-N 0 0 319.232 3.251 20 10 DGCDRN C[C@@H](N[C@H](C)c1ccc(N2CCCCC2)cc1)c1nncn1C ZINC000268824465 278379158 /nfs/dbraw/zinc/37/91/58/278379158.db2.gz AWCBTEOUTUQMLL-HUUCEWRRSA-N 0 0 313.449 3.217 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CC[C@H](C(=O)OC)C1)c1cccc(Cl)c1[O-] ZINC000286894180 288072127 /nfs/dbraw/zinc/07/21/27/288072127.db2.gz DEWOUEMGUXMJDM-WDMOLILDSA-N 0 0 311.809 3.428 20 10 DGCDRN Cc1ccccc1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000122671925 278952383 /nfs/dbraw/zinc/95/23/83/278952383.db2.gz MZSOUDLSKGVYFZ-UHFFFAOYSA-N 0 0 311.385 3.492 20 10 DGCDRN COc1ccc2[nH]cc(C3=CCN(c4cnccn4)CC3)c2c1 ZINC000110234028 431185735 /nfs/dbraw/zinc/18/57/35/431185735.db2.gz BYPLGJGAXIDUIG-UHFFFAOYSA-N 0 0 306.369 3.260 20 10 DGCDRN CCN(CC)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108583688 431146193 /nfs/dbraw/zinc/14/61/93/431146193.db2.gz HZHUSYKMBPGFDT-UHFFFAOYSA-N 0 0 303.450 3.474 20 10 DGCDRN CCc1nc([C@@H](C)NC(=O)N(C)Cc2ccccc2O)cs1 ZINC000111895368 431244662 /nfs/dbraw/zinc/24/46/62/431244662.db2.gz WTGUTZKYDJRVGX-LLVKDONJSA-N 0 0 319.430 3.314 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1COc2ccccc21 ZINC000075159456 431458115 /nfs/dbraw/zinc/45/81/15/431458115.db2.gz PULNXOUCGZHDQF-QGZVFWFLSA-N 0 0 323.392 3.063 20 10 DGCDRN Cc1ncc(/C=C/C(=O)N2CCOc3cc(F)ccc32)s1 ZINC000118277798 431594377 /nfs/dbraw/zinc/59/43/77/431594377.db2.gz BMXMYPHAEJBVBB-HWKANZROSA-N 0 0 304.346 3.029 20 10 DGCDRN O=C1[C@@H](Sc2nccs2)CCN1c1c(F)cccc1F ZINC000088499742 431857753 /nfs/dbraw/zinc/85/77/53/431857753.db2.gz MMHNIATZJQCITQ-JTQLQIEISA-N 0 0 312.366 3.319 20 10 DGCDRN COc1ccc([C@H](C)[N@H+](C)Cc2cc3c(cc2O)OCO3)cc1 ZINC000125832900 431937314 /nfs/dbraw/zinc/93/73/14/431937314.db2.gz WBBBJEBOUPLDCA-LBPRGKRZSA-N 0 0 315.369 3.323 20 10 DGCDRN CN(C(=O)/C=C/c1cccnc1)c1ccc(-c2ccccc2)nn1 ZINC000126052478 431941080 /nfs/dbraw/zinc/94/10/80/431941080.db2.gz VWKOMONVDKZIDN-FMIVXFBMSA-N 0 0 316.364 3.215 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1ccco1 ZINC000054276123 431969501 /nfs/dbraw/zinc/96/95/01/431969501.db2.gz LQGBIEYYKGPEIM-UHFFFAOYSA-N 0 0 300.402 3.327 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2c(s1)CCC2 ZINC000183483293 432297009 /nfs/dbraw/zinc/29/70/09/432297009.db2.gz HNZFYEVOAVQASI-SNVBAGLBSA-N 0 0 317.410 3.009 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000270869701 432297551 /nfs/dbraw/zinc/29/75/51/432297551.db2.gz JMIDBVGSHZFNFD-GDBMZVCRSA-N 0 0 320.433 3.127 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)c1c(C)n[nH]c1C ZINC000183551429 432301412 /nfs/dbraw/zinc/30/14/12/432301412.db2.gz ZMRFLQAAWBBJIM-LBPRGKRZSA-N 0 0 315.417 3.274 20 10 DGCDRN CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000271091342 432329309 /nfs/dbraw/zinc/32/93/09/432329309.db2.gz WQFQHIFVBQURSX-SFHVURJKSA-N 0 0 324.424 3.160 20 10 DGCDRN Nc1ccc(CCNC(=O)C2(Cc3ccccc3)CCC2)cc1 ZINC000152577241 432342142 /nfs/dbraw/zinc/34/21/42/432342142.db2.gz MVHQMNAITDZTBE-UHFFFAOYSA-N 0 0 308.425 3.341 20 10 DGCDRN CC[C@@H]1CCCC[C@@H]1OCC(=O)N(C)Cc1ccccc1O ZINC000184566228 432406881 /nfs/dbraw/zinc/40/68/81/432406881.db2.gz GZRJKJKJPJPILI-PBHICJAKSA-N 0 0 305.418 3.336 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1csnc1C ZINC000271294079 432369327 /nfs/dbraw/zinc/36/93/27/432369327.db2.gz GNWDUGCPXBXUJO-UHFFFAOYSA-N 0 0 303.431 3.180 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCO[C@@H](C)C2)cc1F ZINC000271970071 432433713 /nfs/dbraw/zinc/43/37/13/432433713.db2.gz IDCJXUIFILNOIZ-ZFWWWQNUSA-N 0 0 322.424 3.103 20 10 DGCDRN CC(C)C[C@H]1C[C@H](NC(=O)N(C)Cc2ccccc2O)CCO1 ZINC000272049053 432436345 /nfs/dbraw/zinc/43/63/45/432436345.db2.gz DQCJPIZISVRQQE-CVEARBPZSA-N 0 0 320.433 3.127 20 10 DGCDRN CC(C)C(=O)NCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000184869597 432441601 /nfs/dbraw/zinc/44/16/01/432441601.db2.gz MPOSKZIAHQPYFR-VIFPVBQESA-N 0 0 319.232 3.122 20 10 DGCDRN CCNC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(C)cc2O)cc1 ZINC000185027703 432457136 /nfs/dbraw/zinc/45/71/36/432457136.db2.gz SUEFNXOXTCAFHQ-CQSZACIVSA-N 0 0 312.413 3.301 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCO[C@H](C)C1 ZINC000271584184 432419901 /nfs/dbraw/zinc/41/99/01/432419901.db2.gz RKXHGEVJINUWCG-HUUCEWRRSA-N 0 0 320.433 3.129 20 10 DGCDRN Cc1cc(C(=O)N2C[C@H]3CCC[C@@H]3C2)c(C)n1-c1ccccn1 ZINC000153952485 432458897 /nfs/dbraw/zinc/45/88/97/432458897.db2.gz HHKJNOQAUMNCOD-HZPDHXFCSA-N 0 0 309.413 3.361 20 10 DGCDRN COCC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192871825 432423999 /nfs/dbraw/zinc/42/39/99/432423999.db2.gz IPGWHEZEPPLAFU-LKFCYVNXSA-N 0 0 322.232 3.137 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1Cc2ccccc2O1 ZINC000175867501 432472828 /nfs/dbraw/zinc/47/28/28/432472828.db2.gz CVZJHFVRFAOOJA-GOSISDBHSA-N 0 0 311.381 3.135 20 10 DGCDRN C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1cc(F)ccc1O ZINC000185207121 432477605 /nfs/dbraw/zinc/47/76/05/432477605.db2.gz DFKKSPCJDHUVNU-KKUMJFAQSA-N 0 0 324.440 3.071 20 10 DGCDRN C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(F)cc1[O-] ZINC000185291179 432487367 /nfs/dbraw/zinc/48/73/67/432487367.db2.gz WBLVVMCCNQXLQP-JTQLQIEISA-N 0 0 320.330 3.209 20 10 DGCDRN CC[C@H](CNC(=O)Cc1ccc(N)cc1)Oc1ccccc1C ZINC000262609331 432494932 /nfs/dbraw/zinc/49/49/32/432494932.db2.gz CPGXLPXEBVLHDR-QGZVFWFLSA-N 0 0 312.413 3.094 20 10 DGCDRN COc1cccc(CNC2(c3noc(C)n3)CCCCC2)c1O ZINC000263682288 432565109 /nfs/dbraw/zinc/56/51/09/432565109.db2.gz MZJQEFPTRFMRGX-UHFFFAOYSA-N 0 0 317.389 3.041 20 10 DGCDRN C[N@@H+](Cc1ccc(N2CCCCC2)cc1)CC1=CCCOC1 ZINC000155243678 432546364 /nfs/dbraw/zinc/54/63/64/432546364.db2.gz DZWYKRMFGNBFAH-UHFFFAOYSA-N 0 0 300.446 3.455 20 10 DGCDRN COc1ccc(N(CCn2cncn2)Cc2cccs2)cc1 ZINC000264110014 432615907 /nfs/dbraw/zinc/61/59/07/432615907.db2.gz QEUZBZLEGNRBBL-UHFFFAOYSA-N 0 0 314.414 3.055 20 10 DGCDRN C[C@H]1CCN(C(=O)/C=C/c2cncc(F)c2)c2c(O)cccc21 ZINC000186306296 432579952 /nfs/dbraw/zinc/57/99/52/432579952.db2.gz CEMQBGOWOXHRQK-FYJFLYSWSA-N 0 0 312.344 3.480 20 10 DGCDRN COC[C@@H](C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-])OC ZINC000273455818 432600261 /nfs/dbraw/zinc/60/02/61/432600261.db2.gz PLUFLNBCGVPDSK-RKDXNWHRSA-N 0 0 308.205 3.011 20 10 DGCDRN COc1cc(Cl)cc(CN2CCOCC23CCCC3)c1O ZINC000273755872 432630640 /nfs/dbraw/zinc/63/06/40/432630640.db2.gz OFVIDAXQVZFDLF-UHFFFAOYSA-N 0 0 311.809 3.199 20 10 DGCDRN O=C(c1cccc(O)c1O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000187097724 432646278 /nfs/dbraw/zinc/64/62/78/432646278.db2.gz USTRMSXAXFMLOL-UHFFFAOYSA-N 0 0 315.344 3.289 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(C)c(O)c1O ZINC000177678557 432649189 /nfs/dbraw/zinc/64/91/89/432649189.db2.gz WJROTQUGEJTVLU-UHFFFAOYSA-N 0 0 315.369 3.164 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(C)(O)CC2)cc1 ZINC000177730988 432656331 /nfs/dbraw/zinc/65/63/31/432656331.db2.gz UVCQODLQAKCFPW-UHFFFAOYSA-N 0 0 312.413 3.081 20 10 DGCDRN CCCSCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000264679475 432662574 /nfs/dbraw/zinc/66/25/74/432662574.db2.gz KQELHAXIIATJLU-OAHLLOKOSA-N 0 0 323.458 3.043 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000158960994 432663733 /nfs/dbraw/zinc/66/37/33/432663733.db2.gz RASSULMNMISRQV-JXFKEZNVSA-N 0 0 323.392 3.008 20 10 DGCDRN Oc1ccc(Br)cc1C[NH2+]CCCOCC1CC1 ZINC000227435299 432712353 /nfs/dbraw/zinc/71/23/53/432712353.db2.gz SQTBKARBPDDPBQ-UHFFFAOYSA-N 0 0 314.223 3.061 20 10 DGCDRN C[C@H]([NH2+]C[C@](C)(O)c1cccs1)c1ccc(F)c(F)c1[O-] ZINC000187730380 432679463 /nfs/dbraw/zinc/67/94/63/432679463.db2.gz UVGPZCGVVMTWKU-VFZGTOFNSA-N 0 0 313.369 3.290 20 10 DGCDRN CSC1(C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])CCOCC1 ZINC000187789853 432684404 /nfs/dbraw/zinc/68/44/04/432684404.db2.gz JZWWCBKHACGQMD-SNVBAGLBSA-N 0 0 317.401 3.233 20 10 DGCDRN CCOc1ccc(NCc2cc(OC)ccc2O)cc1OC ZINC000237022420 432775752 /nfs/dbraw/zinc/77/57/52/432775752.db2.gz HGEKOFXGCUITDJ-UHFFFAOYSA-N 0 0 303.358 3.420 20 10 DGCDRN Cc1ccc(C(=O)N2CC[C@H](C(F)(F)F)C2(C)C)c(O)c1O ZINC000276160941 432777865 /nfs/dbraw/zinc/77/78/65/432777865.db2.gz FQADXFHLZNZNGM-JTQLQIEISA-N 0 0 317.307 3.209 20 10 DGCDRN C[C@H](N[C@@H](C)c1ccc(N2CCCCC2)cc1)c1ncnn1C ZINC000276539322 432817315 /nfs/dbraw/zinc/81/73/15/432817315.db2.gz DIOSSHGKDBYAFR-GJZGRUSLSA-N 0 0 313.449 3.217 20 10 DGCDRN CC[C@H](C)c1nnc([C@H](C)NCc2ccc(N(C)C)cc2)[nH]1 ZINC000276761894 432824177 /nfs/dbraw/zinc/82/41/77/432824177.db2.gz AJBJELKEGXWRSW-STQMWFEESA-N 0 0 301.438 3.235 20 10 DGCDRN C[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1ccc(F)c(F)c1[O-] ZINC000276901124 432826606 /nfs/dbraw/zinc/82/66/06/432826606.db2.gz JBMBRIBERQDIAX-OTYXRUKQSA-N 0 0 311.303 3.194 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccc(F)c(F)c1[O-] ZINC000276997217 432827428 /nfs/dbraw/zinc/82/74/28/432827428.db2.gz YRAWUODMFQJFGU-ZANVPECISA-N 0 0 307.344 3.132 20 10 DGCDRN CCOc1cccc(CN[C@@H](C)c2nnc([C@@H](C)CC)[nH]2)c1O ZINC000277172840 432830567 /nfs/dbraw/zinc/83/05/67/432830567.db2.gz HXDAKGSNNFGYMG-RYUDHWBXSA-N 0 0 318.421 3.273 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@H](C)CCCC(=O)[O-])cc1F ZINC000277177963 432830586 /nfs/dbraw/zinc/83/05/86/432830586.db2.gz FBNAQLQRQRQPLI-CYBMUJFWSA-N 0 0 310.413 3.405 20 10 DGCDRN O=C(/C=C/c1cnccn1)N1CC2(CCCC2)c2ccccc21 ZINC000267563966 432835861 /nfs/dbraw/zinc/83/58/61/432835861.db2.gz KZUJQORMQVSSMH-BQYQJAHWSA-N 0 0 305.381 3.348 20 10 DGCDRN Cc1ccccc1[C@@H]1CN(C(=O)Cc2ccc(N)cc2)[C@@H](C)CO1 ZINC000237706728 432796691 /nfs/dbraw/zinc/79/66/91/432796691.db2.gz VFANOJLCGLOJAE-KXBFYZLASA-N 0 0 324.424 3.108 20 10 DGCDRN CCOc1ccc(O)c(CN[C@@H](C)c2nnc([C@H](C)CC)[nH]2)c1 ZINC000277442272 432850629 /nfs/dbraw/zinc/85/06/29/432850629.db2.gz OKIIOJJHGFIRRG-NEPJUHHUSA-N 0 0 318.421 3.273 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]CC[C@H](C)CC(=O)[O-])cc1F ZINC000277460201 432852284 /nfs/dbraw/zinc/85/22/84/432852284.db2.gz VMUVCCAJEDVWCU-ZDUSSCGKSA-N 0 0 310.413 3.262 20 10 DGCDRN CCCn1ncnc1CN1CCCCc2cc(OC)ccc21 ZINC000279103495 432935239 /nfs/dbraw/zinc/93/52/39/432935239.db2.gz QBLGPGYEYHVYDP-UHFFFAOYSA-N 0 0 300.406 3.040 20 10 DGCDRN Cc1cc(C(=O)NCCC[C@H](C)O)c(C)n1-c1ccc(F)cc1 ZINC000279143335 432940070 /nfs/dbraw/zinc/94/00/70/432940070.db2.gz OQOOVKFIRJSYFG-ZDUSSCGKSA-N 0 0 318.392 3.124 20 10 DGCDRN CC[C@H]([NH2+]Cc1ncccc1N(C)C)c1ccc(F)cc1[O-] ZINC000289749758 432972599 /nfs/dbraw/zinc/97/25/99/432972599.db2.gz LAVSRYCRNVMLPD-AWEZNQCLSA-N 0 0 303.381 3.233 20 10 DGCDRN CC[C@H]([NH2+]Cc1csc(COC)n1)c1ccc(F)cc1[O-] ZINC000289901895 432978761 /nfs/dbraw/zinc/97/87/61/432978761.db2.gz TYIVYGYMKLJCCO-ZDUSSCGKSA-N 0 0 310.394 3.375 20 10 DGCDRN CC[C@H]([NH2+]Cc1ccc(OC)nc1OC)c1ccc(C)cc1O ZINC000290057102 432984988 /nfs/dbraw/zinc/98/49/88/432984988.db2.gz FJODWMIPOKRHKE-HNNXBMFYSA-N 0 0 316.401 3.354 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N(CC1CC1)CC1CCC1 ZINC000279998673 432999875 /nfs/dbraw/zinc/99/98/75/432999875.db2.gz JYRTWAJDPYSFLF-VQHVLOKHSA-N 0 0 301.386 3.150 20 10 DGCDRN CCOCc1nc([C@H](C)N[C@H](CC)c2ccc(C)cc2O)no1 ZINC000290183159 433008412 /nfs/dbraw/zinc/00/84/12/433008412.db2.gz NSGXJGGFGNQJBD-GXTWGEPZSA-N 0 0 319.405 3.422 20 10 DGCDRN CN(C)C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(F)cc1 ZINC000290192252 433009264 /nfs/dbraw/zinc/00/92/64/433009264.db2.gz TUTOIPMMPHJTLV-SFHVURJKSA-N 0 0 314.404 3.153 20 10 DGCDRN CCOC(=O)N1CCC([NH2+][C@@H](CC)c2ccc(C)cc2O)CC1 ZINC000280189264 433012335 /nfs/dbraw/zinc/01/23/35/433012335.db2.gz SEHYTMUOKOPIJP-INIZCTEOSA-N 0 0 320.433 3.362 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCCCc1ccccc1F ZINC000280542387 433076408 /nfs/dbraw/zinc/07/64/08/433076408.db2.gz OKNKXWZKMCDWGR-UHFFFAOYSA-N 0 0 316.376 3.306 20 10 DGCDRN CC(C)c1occc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000280759884 433161159 /nfs/dbraw/zinc/16/11/59/433161159.db2.gz HYRYXCICEHYPNQ-LLVKDONJSA-N 0 0 303.358 3.175 20 10 DGCDRN COc1ccc(CN[C@H](C)c2noc(COC(C)C)n2)cc1C ZINC000290838459 433184875 /nfs/dbraw/zinc/18/48/75/433184875.db2.gz ICEYVHUEIAWLLQ-CYBMUJFWSA-N 0 0 319.405 3.162 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000291692080 433317418 /nfs/dbraw/zinc/31/74/18/433317418.db2.gz YFFMVJNLVLWSHH-QAPCUYQASA-N 0 0 317.816 3.301 20 10 DGCDRN Cc1cnc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)o1 ZINC000291715844 433324844 /nfs/dbraw/zinc/32/48/44/433324844.db2.gz HYVGIVIMFDAVKD-UHFFFAOYSA-N 0 0 313.401 3.246 20 10 DGCDRN Cc1ccc2c(c1)/C(=C\c1cn(C)nc1C(F)F)C(=O)N2C ZINC000291591931 433278152 /nfs/dbraw/zinc/27/81/52/433278152.db2.gz PYSZXLWQMBZQDC-KPKJPENVSA-N 0 0 303.312 3.183 20 10 DGCDRN Cc1c2ccccc2n(C)c1CN[C@@H](C)c1cc2n(n1)CCC2 ZINC000414152568 433429300 /nfs/dbraw/zinc/42/93/00/433429300.db2.gz QMJXSOTXMICCJH-AWEZNQCLSA-N 0 0 308.429 3.480 20 10 DGCDRN Cc1nc(C(C)C)oc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000292090110 433455115 /nfs/dbraw/zinc/45/51/15/433455115.db2.gz XYWUAQXTCOGKST-UHFFFAOYSA-N 0 0 301.390 3.102 20 10 DGCDRN CO[C@@H](C)c1noc(COc2ccc3c(c2)c(C)c(C)n3C)n1 ZINC000421199213 433457004 /nfs/dbraw/zinc/45/70/04/433457004.db2.gz MKIBRACBVUJZBW-LBPRGKRZSA-N 0 0 315.373 3.465 20 10 DGCDRN Cc1onc(-c2cccnc2)c1C(=O)N1CCc2ccc(F)cc21 ZINC000375686528 433529360 /nfs/dbraw/zinc/52/93/60/433529360.db2.gz CYKZKYAODRGDKR-UHFFFAOYSA-N 0 0 323.327 3.387 20 10 DGCDRN c1csc(SCCCNc2ccc3nccnc3n2)n1 ZINC000301285708 433489557 /nfs/dbraw/zinc/48/95/57/433489557.db2.gz OHOAOFDCGYOXIP-UHFFFAOYSA-N 0 0 303.416 3.076 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)CSC ZINC000282081102 433490911 /nfs/dbraw/zinc/49/09/11/433490911.db2.gz HQHOOQCYWBDKDK-UHFFFAOYSA-N 0 0 308.491 3.490 20 10 DGCDRN Cc1cc(NCc2ccc(N3CC=CC3)cc2)ncc1[N+](=O)[O-] ZINC000301440408 433558595 /nfs/dbraw/zinc/55/85/95/433558595.db2.gz OOAVFSWNCVYAAJ-UHFFFAOYSA-N 0 0 310.357 3.287 20 10 DGCDRN COc1cc(NCc2cc3c(cc2O)OCO3)cc(OC)c1C ZINC000292640796 433584426 /nfs/dbraw/zinc/58/44/26/433584426.db2.gz KHJKDKGMXALOHP-UHFFFAOYSA-N 0 0 317.341 3.059 20 10 DGCDRN COc1ccc(O)c(C[NH2+]Cc2ccccc2-c2cnn(C)c2)c1 ZINC000362233447 433592722 /nfs/dbraw/zinc/59/27/22/433592722.db2.gz FHCQSNHGPFBOCP-UHFFFAOYSA-N 0 0 323.396 3.091 20 10 DGCDRN C[N@@H+]1CC[C@]2(CCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)C1 ZINC000292881515 433602190 /nfs/dbraw/zinc/60/21/90/433602190.db2.gz XRIMDZSVWBQXDN-HNNXBMFYSA-N 0 0 315.244 3.227 20 10 DGCDRN CCCCN(Cc1nc([C@H](C)OC)no1)Cc1ccccc1O ZINC000282545949 433616205 /nfs/dbraw/zinc/61/62/05/433616205.db2.gz WMMVTYZQFZEGGM-ZDUSSCGKSA-N 0 0 319.405 3.285 20 10 DGCDRN CSCC(C)(C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000282558129 433618263 /nfs/dbraw/zinc/61/82/63/433618263.db2.gz SMNBSHPZEMQJRU-UHFFFAOYSA-N 0 0 307.459 3.276 20 10 DGCDRN Cc1cscc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000176977343 293084414 /nfs/dbraw/zinc/08/44/14/293084414.db2.gz QBASZQMRCRAEGM-UHFFFAOYSA-N 0 0 302.399 3.162 20 10 DGCDRN CCCN(Cc1ccccc1O)c1ncc(C)cc1[N+](=O)[O-] ZINC000301792043 433729099 /nfs/dbraw/zinc/72/90/99/433729099.db2.gz WXJWNPDMZJQPEY-UHFFFAOYSA-N 0 0 301.346 3.420 20 10 DGCDRN Cc1nsc(NC2CC2)c1C(=O)N(C)Cc1ccccc1O ZINC000293483464 433751893 /nfs/dbraw/zinc/75/18/93/433751893.db2.gz VFSHRHBOMUUEPA-UHFFFAOYSA-N 0 0 317.414 3.004 20 10 DGCDRN CCOCCC1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000293550545 433779542 /nfs/dbraw/zinc/77/95/42/433779542.db2.gz GZTPJCBIVUCIBQ-UHFFFAOYSA-N 0 0 301.789 3.481 20 10 DGCDRN CC[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cccc(Cl)c1[O-] ZINC000376861890 433833534 /nfs/dbraw/zinc/83/35/34/433833534.db2.gz VKPWYYGIFNNLNK-SMDDNHRTSA-N 0 0 305.809 3.367 20 10 DGCDRN Oc1cccc(Cl)c1C[N@@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000293722747 433840013 /nfs/dbraw/zinc/84/00/13/433840013.db2.gz UDTAKBKJPGIBEB-MRXNPFEDSA-N 0 0 307.821 3.437 20 10 DGCDRN OC[C@H]1CN(Cc2cc(Cl)c(F)cc2O)c2ccccc21 ZINC000293857142 433898521 /nfs/dbraw/zinc/89/85/21/433898521.db2.gz ICCPDDPUXNEBKH-LLVKDONJSA-N 0 0 307.752 3.281 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1nccn1C(F)F ZINC000294258929 434062148 /nfs/dbraw/zinc/06/21/48/434062148.db2.gz NUOPKOSRAVADDC-UHFFFAOYSA-N 0 0 305.687 3.066 20 10 DGCDRN Cc1nc(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])cs1 ZINC000294253448 434058113 /nfs/dbraw/zinc/05/81/13/434058113.db2.gz NMJNJEVAPWTLEA-UHFFFAOYSA-N 0 0 300.786 3.282 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H](c1ccccc1)C1CC1 ZINC000294405337 434111178 /nfs/dbraw/zinc/11/11/78/434111178.db2.gz FCTYYTASVCOVGE-VDZSZVPASA-N 0 0 323.392 3.421 20 10 DGCDRN O=C(/C=C\c1cncs1)N1C[C@@H]2CCCN2c2ccccc21 ZINC000493569614 294001887 /nfs/dbraw/zinc/00/18/87/294001887.db2.gz UVJXTXXSMFYZCS-WSROAFLRSA-N 0 0 311.410 3.172 20 10 DGCDRN COc1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000363859965 434168771 /nfs/dbraw/zinc/16/87/71/434168771.db2.gz SVYLAVFDNZMQOT-XYZKALLWSA-N 0 0 305.418 3.255 20 10 DGCDRN CCc1nn(C)cc1NC1CCN(c2ccc(OC)cc2)CC1 ZINC000378477528 434197767 /nfs/dbraw/zinc/19/77/67/434197767.db2.gz VKJFNTWKNWAZNV-UHFFFAOYSA-N 0 0 314.433 3.072 20 10 DGCDRN Cc1c(NCc2cccc(C)c2O)cnn1C1CCOCC1 ZINC000295146954 434230385 /nfs/dbraw/zinc/23/03/85/434230385.db2.gz QRHSSLNFWRSKQT-UHFFFAOYSA-N 0 0 301.390 3.169 20 10 DGCDRN COC(=O)c1cnc(SCC(=O)c2ccc(C)s2)s1 ZINC000295275372 434288093 /nfs/dbraw/zinc/28/80/93/434288093.db2.gz KARRDMBYKWEGED-UHFFFAOYSA-N 0 0 313.425 3.275 20 10 DGCDRN COC(=O)c1cnc(SC[C@@H](Cc2ccccc2)OC)s1 ZINC000295385863 434335895 /nfs/dbraw/zinc/33/58/95/434335895.db2.gz UOXWYMWIBQQRQK-GFCCVEGCSA-N 0 0 323.439 3.280 20 10 DGCDRN COc1ccc(CNC(=O)[C@@H]2C[C@H]2c2sccc2C)c(O)c1 ZINC000366543040 434446753 /nfs/dbraw/zinc/44/67/53/434446753.db2.gz ZDVXPFIYWUWFCK-ZIAGYGMSSA-N 0 0 317.410 3.191 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[NH2+]C2(C3CC3)CCOCC2)c1[O-] ZINC000367567065 434550524 /nfs/dbraw/zinc/55/05/24/434550524.db2.gz UBAHDELCRGEONG-UHFFFAOYSA-N 0 0 323.820 3.297 20 10 DGCDRN Cn1nccc1[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000368591826 434577898 /nfs/dbraw/zinc/57/78/98/434577898.db2.gz NACZGARUVJILCT-LBPRGKRZSA-N 0 0 305.809 3.159 20 10 DGCDRN Cc1cc(Cl)cc(CN2CCn3c(nnc3C(C)C)C2)c1O ZINC000369443293 434595021 /nfs/dbraw/zinc/59/50/21/434595021.db2.gz OKYBPAPIHDZNQA-UHFFFAOYSA-N 0 0 320.824 3.085 20 10 DGCDRN CN(C(=O)/C=C\c1cnccn1)c1cc(Cl)cc(Cl)c1 ZINC000491826805 434866858 /nfs/dbraw/zinc/86/68/58/434866858.db2.gz BOOBSULPJSJDTI-IHWYPQMZSA-N 0 0 308.168 3.460 20 10 DGCDRN C[C@@H]1CSc2ccccc2N(C(=O)/C=C/c2cnccn2)C1 ZINC000492215244 434937115 /nfs/dbraw/zinc/93/71/15/434937115.db2.gz SFOVKNCKHKMQAU-YBJDMEARSA-N 0 0 311.410 3.265 20 10 DGCDRN C[C@H]([NH2+]CC12CC(C1)CO2)c1cccc(C(F)(F)F)c1[O-] ZINC000527980218 435018968 /nfs/dbraw/zinc/01/89/68/435018968.db2.gz MVPJVBMGHXGPOV-IPWFMCSPSA-N 0 0 301.308 3.241 20 10 DGCDRN Cn1cc(/C=C/C(=O)N2CCc3ccncc32)c2ccccc21 ZINC000492433269 434982290 /nfs/dbraw/zinc/98/22/90/434982290.db2.gz BMCXGQCMMHQQHJ-VOTSOKGWSA-N 0 0 303.365 3.176 20 10 DGCDRN CC1(C)COc2cc(NC(=O)NCc3ccccc3O)ccc21 ZINC000529158167 435034039 /nfs/dbraw/zinc/03/40/39/435034039.db2.gz QLPKFYMOYZQXGZ-UHFFFAOYSA-N 0 0 312.369 3.384 20 10 DGCDRN Cc1ccncc1/C=C\C(=O)N1C[C@@H]2CCCN2c2ccccc21 ZINC000492524838 435002372 /nfs/dbraw/zinc/00/23/72/435002372.db2.gz ABNSZEAEKYGMME-JJEJIETFSA-N 0 0 319.408 3.419 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C/c2cnccc2C)cc1F ZINC000492532735 435005570 /nfs/dbraw/zinc/00/55/70/435005570.db2.gz MBJVMBVNJHIBNW-QPJJXVBHSA-N 0 0 300.333 3.214 20 10 DGCDRN COc1cncc(/C=C/C(=O)N(C)c2cccc3cccnc32)c1 ZINC000492561678 435012935 /nfs/dbraw/zinc/01/29/35/435012935.db2.gz FPGRENJHSUWASR-CMDGGOBGSA-N 0 0 319.364 3.315 20 10 DGCDRN Cc1ccc(/C=C\C(=O)N(C)c2cnc3ccccc3n2)cn1 ZINC000493491143 435181620 /nfs/dbraw/zinc/18/16/20/435181620.db2.gz IYGQHSUEKSESFU-KTKRTIGZSA-N 0 0 304.353 3.009 20 10 DGCDRN O=C1/C(=C\c2cccnc2)SC(=S)N1C(C1CC1)C1CC1 ZINC000265346567 304619048 /nfs/dbraw/zinc/61/90/48/304619048.db2.gz ZLZQXUBTEAGNDS-MDWZMJQESA-N 0 0 316.451 3.471 20 10 DGCDRN Cc1ccoc1CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000490409370 435655084 /nfs/dbraw/zinc/65/50/84/435655084.db2.gz KAQXTZBITMXBLT-UHFFFAOYSA-N 0 0 311.385 3.388 20 10 DGCDRN CN(C(=O)/C=C/c1cnccn1)c1cccc(OC(F)(F)F)c1 ZINC000491480275 435758709 /nfs/dbraw/zinc/75/87/09/435758709.db2.gz VSGUQPUBQYEAFT-AATRIKPKSA-N 0 0 323.274 3.051 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C/c2cnc(C)s2)cc1F ZINC000159376783 332081366 /nfs/dbraw/zinc/08/13/66/332081366.db2.gz KTUBMPKUEJSMTK-FNORWQNLSA-N 0 0 306.362 3.275 20 10 DGCDRN COc1ccc(N(Cc2ccco2)Cc2nc(C)no2)cc1F ZINC000150867197 332674306 /nfs/dbraw/zinc/67/43/06/332674306.db2.gz GDNZQMGTNWTUQE-UHFFFAOYSA-N 0 0 317.320 3.326 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H](CCO)c1ccccc1 ZINC000293673387 335114896 /nfs/dbraw/zinc/11/48/96/335114896.db2.gz QUFNVBANZTVAIM-CYBMUJFWSA-N 0 0 323.795 3.441 20 10 DGCDRN C/C=C(\C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000176283136 333111044 /nfs/dbraw/zinc/11/10/44/333111044.db2.gz LTCCUHFBCIKOFQ-ACDNVWSCSA-N 0 0 324.371 3.339 20 10 DGCDRN CSc1ccsc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000264350469 333956143 /nfs/dbraw/zinc/95/61/43/333956143.db2.gz HAWWMVWPMNOMLY-UHFFFAOYSA-N 0 0 306.456 3.466 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)[C@@H]1CCCCO1 ZINC000272044860 334030372 /nfs/dbraw/zinc/03/03/72/334030372.db2.gz CWXXTTLTYACMAT-YOEHRIQHSA-N 0 0 320.433 3.271 20 10 DGCDRN CC(C)(C)c1ccc(C(=O)NCc2ccc(O)c(O)c2)s1 ZINC000272349918 334033881 /nfs/dbraw/zinc/03/38/81/334033881.db2.gz QONUKVNHRJNYKG-UHFFFAOYSA-N 0 0 305.399 3.387 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000297507276 334242088 /nfs/dbraw/zinc/24/20/88/334242088.db2.gz UKMCKIPXWUYIIY-OAHLLOKOSA-N 0 0 312.369 3.218 20 10 DGCDRN Cc1cc(C(=O)N2CC[C@@H](C3CC3)C2)c(C)n1-c1ccccn1 ZINC000378320256 337069761 /nfs/dbraw/zinc/06/97/61/337069761.db2.gz UNWWWBYAESLOCA-MRXNPFEDSA-N 0 0 309.413 3.361 20 10 DGCDRN COc1ccc(-c2noc(CSc3nccs3)n2)cc1 ZINC000048874838 337435946 /nfs/dbraw/zinc/43/59/46/337435946.db2.gz LPFBNFSALMFBBH-UHFFFAOYSA-N 0 0 305.384 3.494 20 10 DGCDRN CC(C)O[C@@]1(C)C[C@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000527801110 337764928 /nfs/dbraw/zinc/76/49/28/337764928.db2.gz ROOJRGVRJDJULF-OCCSQVGLSA-N 0 0 314.223 3.200 20 10 DGCDRN Cc1cccc(N(C)C(=O)/C=C/c2cnn(-c3ccccc3)c2)n1 ZINC000118625383 337851291 /nfs/dbraw/zinc/85/12/91/337851291.db2.gz DLXSJNOSMRUVSF-VAWYXSNFSA-N 0 0 318.380 3.252 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)N1C[C@H]2CCCN2c2ccccc21 ZINC000492524839 339903001 /nfs/dbraw/zinc/90/30/01/339903001.db2.gz ABNSZEAEKYGMME-KBOKABMXSA-N 0 0 319.408 3.419 20 10 DGCDRN Cc1ncsc1/C=C/C(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000186886933 340516625 /nfs/dbraw/zinc/51/66/25/340516625.db2.gz HFODLCLBRUCRMZ-VOTSOKGWSA-N 0 0 303.343 3.036 20 10 DGCDRN COc1ccc(CNC(=O)[C@H](C)Cc2ccccc2C)c(O)c1 ZINC000529231301 340749272 /nfs/dbraw/zinc/74/92/72/340749272.db2.gz ZTONQNGGWFQWJB-CQSZACIVSA-N 0 0 313.397 3.204 20 10 DGCDRN CCN(C(=O)/C=C\c1cnn(C)c1C)c1ccc(F)c(F)c1 ZINC000254941955 341494265 /nfs/dbraw/zinc/49/42/65/341494265.db2.gz DGXFQMLYDGSJHJ-YVMONPNESA-N 0 0 305.328 3.073 20 10 DGCDRN C(=C/c1ccc(N2CCOCC2)cc1)\c1nc(CC2CC2)no1 ZINC000266614183 518368700 /nfs/dbraw/zinc/36/87/00/518368700.db2.gz RSLPKKADJFEYGB-VMPITWQZSA-N 0 0 311.385 3.029 20 10 DGCDRN C/C=C(\C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000267544739 518482824 /nfs/dbraw/zinc/48/28/24/518482824.db2.gz BQEZRPPCMXXLOB-ZTTPKUNYSA-N 0 0 320.408 3.022 20 10 DGCDRN CC(C)CSCCCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181263402 519767796 /nfs/dbraw/zinc/76/77/96/519767796.db2.gz IVZSTOTZXCAYKM-FNORWQNLSA-N 0 0 309.431 3.007 20 10 DGCDRN CC(C)[C@@H](NC(=O)Cc1ccc(N)cc1)c1nc2ccccc2[nH]1 ZINC000262652315 519797326 /nfs/dbraw/zinc/79/73/26/519797326.db2.gz VUMMJGXTSNBZOE-GOSISDBHSA-N 0 0 322.412 3.201 20 10 DGCDRN CC(C)c1ccc(OCCNC(=O)Cc2ccc(N)cc2)cc1 ZINC000236680172 519838229 /nfs/dbraw/zinc/83/82/29/519838229.db2.gz ZBDWAFLICCBOQS-UHFFFAOYSA-N 0 0 312.413 3.130 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CCCOC(C)C)cc1 ZINC000182212691 520894771 /nfs/dbraw/zinc/89/47/71/520894771.db2.gz SFUUIUGXAQARMN-UHFFFAOYSA-N 0 0 306.450 3.354 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cnn(C(C)C)c2)cc1 ZINC000189945381 520902131 /nfs/dbraw/zinc/90/21/31/520902131.db2.gz STTZZIPQCNZUQK-UHFFFAOYSA-N 0 0 314.433 3.240 20 10 DGCDRN CCC[C@H](C)N(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000264785033 521026360 /nfs/dbraw/zinc/02/63/60/521026360.db2.gz UZPOHTRGXHSHHI-KXKDPZRNSA-N 0 0 316.445 3.183 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccncc1F ZINC000124734165 521688602 /nfs/dbraw/zinc/68/86/02/521688602.db2.gz BHDUCMBANJDCTB-UHFFFAOYSA-N 0 0 303.337 3.370 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000161736908 521688758 /nfs/dbraw/zinc/68/87/58/521688758.db2.gz DCUJJOSRZVZZDZ-OAHLLOKOSA-N 0 0 320.433 3.271 20 10 DGCDRN CC[C@@H](C)CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000189695713 521928759 /nfs/dbraw/zinc/92/87/59/521928759.db2.gz IWVCVXZERXKJRC-ZBFHGGJFSA-N 0 0 305.418 3.336 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NCC2CCSCC2)cc1 ZINC000265005091 522167531 /nfs/dbraw/zinc/16/75/31/522167531.db2.gz JZXRZJYGFZUTSZ-UHFFFAOYSA-N 0 0 321.490 3.037 20 10 DGCDRN CC[C@@H](C)Oc1cc(C(=O)N(C)Cc2ccccc2O)ccn1 ZINC000180603048 522256495 /nfs/dbraw/zinc/25/64/95/522256495.db2.gz YYJZAYRDPGNXCH-CYBMUJFWSA-N 0 0 314.385 3.237 20 10 DGCDRN Cc1sccc1CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000346044600 534625254 /nfs/dbraw/zinc/62/52/54/534625254.db2.gz YKSHFKRGNRUWMZ-UHFFFAOYSA-N 0 0 316.426 3.091 20 10 DGCDRN COCc1ccc(/C=C2/SC(=S)N(C3CC3)C2=O)cc1 ZINC000266588022 522943602 /nfs/dbraw/zinc/94/36/02/522943602.db2.gz NQNCTXHRLJPMIV-MDWZMJQESA-N 0 0 305.424 3.197 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000190639828 523382666 /nfs/dbraw/zinc/38/26/66/523382666.db2.gz DGTVTRUYIYMHMS-MRXNPFEDSA-N 0 0 311.381 3.176 20 10 DGCDRN CN1C(=O)/C(=C/c2ccc(OCC3CC3)cc2)SC1=S ZINC000190394465 523674813 /nfs/dbraw/zinc/67/48/13/523674813.db2.gz IMFZXLFLAOJLAQ-JYRVWZFOSA-N 0 0 305.424 3.306 20 10 DGCDRN CN1CCCc2cc(CNC(=O)CC[C@H]3CCCCO3)ccc21 ZINC000110259184 523860617 /nfs/dbraw/zinc/86/06/17/523860617.db2.gz FQCICYYXIPECHC-QGZVFWFLSA-N 0 0 316.445 3.035 20 10 DGCDRN CCc1ccc([C@@H](C)CC(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000182514078 524021503 /nfs/dbraw/zinc/02/15/03/524021503.db2.gz FURCFTPKOMQMRV-ZDUSSCGKSA-N 0 0 313.397 3.470 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)c2cnn(C)c2)c(C)n1-c1ccccc1 ZINC000124860808 524145352 /nfs/dbraw/zinc/14/53/52/524145352.db2.gz KNCPFXDUKRRGLM-CQSZACIVSA-N 0 0 322.412 3.319 20 10 DGCDRN C[C@H](CCCc1ccccc1)C(=O)NCc1ccc(O)c(O)c1 ZINC000182509948 524154089 /nfs/dbraw/zinc/15/40/89/524154089.db2.gz GGURDXXTBICTNC-CQSZACIVSA-N 0 0 313.397 3.373 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCCc2sccc21 ZINC000137391816 534774406 /nfs/dbraw/zinc/77/44/06/534774406.db2.gz FBWGPLJCDLOJPO-IYNGYCSASA-N 0 0 315.394 3.366 20 10 DGCDRN COc1ccc(N(C)CC(=O)NCc2cccs2)cc1Cl ZINC000121861350 524350114 /nfs/dbraw/zinc/35/01/14/524350114.db2.gz HZWBFENTHTXDMF-UHFFFAOYSA-N 0 0 324.833 3.163 20 10 DGCDRN COc1ccc(N(C)Cc2cn(C(C)(C)C)nn2)cc1Cl ZINC000191469443 524356058 /nfs/dbraw/zinc/35/60/58/524356058.db2.gz IMCLYAAUGJFQFG-UHFFFAOYSA-N 0 0 308.813 3.332 20 10 DGCDRN Cc1ccc(C[C@H](C)NC(=O)NCc2ccccc2O)s1 ZINC000265774403 524679145 /nfs/dbraw/zinc/67/91/45/524679145.db2.gz HXJBWEFMKHDGKM-NSHDSACASA-N 0 0 304.415 3.193 20 10 DGCDRN C[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])Cn1ccnc1 ZINC000237355897 524740655 /nfs/dbraw/zinc/74/06/55/524740655.db2.gz DKAKBZKBGUAUEN-JTQLQIEISA-N 0 0 314.216 3.321 20 10 DGCDRN COc1ccc(O)c(CN2CCO[C@@H](c3ccccc3F)C2)c1 ZINC000180024378 524740868 /nfs/dbraw/zinc/74/08/68/524740868.db2.gz COPBMBARORTQFO-GOSISDBHSA-N 0 0 317.360 3.113 20 10 DGCDRN COc1ccc([C@H](C)CCNC(=O)Cc2ccc(N)cc2)cc1 ZINC000237239414 525293296 /nfs/dbraw/zinc/29/32/96/525293296.db2.gz BPXHJAHECKUFLW-CQSZACIVSA-N 0 0 312.413 3.130 20 10 DGCDRN Cc1ccc(OCCC(=O)NCCc2ccc(N)cc2)c(C)c1 ZINC000237704909 525402302 /nfs/dbraw/zinc/40/23/02/525402302.db2.gz ISQYTJDPRGNDGV-UHFFFAOYSA-N 0 0 312.413 3.013 20 10 DGCDRN C[C@H](O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000193369304 525786181 /nfs/dbraw/zinc/78/61/81/525786181.db2.gz KRMBLZNCYQUMSF-DZGCQCFKSA-N 0 0 318.442 3.202 20 10 DGCDRN CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1[O-] ZINC000272296064 534890148 /nfs/dbraw/zinc/89/01/48/534890148.db2.gz OWEJROBVDVNZFR-ZDUSSCGKSA-N 0 0 324.396 3.020 20 10 DGCDRN C[C@H](CC(=O)NCCc1ccc(N)cc1)Cc1cccc(F)c1 ZINC000237638674 526239462 /nfs/dbraw/zinc/23/94/62/526239462.db2.gz WOFUGPWTKFBXEN-AWEZNQCLSA-N 0 0 314.404 3.336 20 10 DGCDRN Cc1csc(C2(NC(=O)Cc3ccc(N)cc3)CCCC2)n1 ZINC000237627023 526323333 /nfs/dbraw/zinc/32/33/33/526323333.db2.gz HQHGMVPJLHYOAZ-UHFFFAOYSA-N 0 0 315.442 3.162 20 10 DGCDRN Oc1cccc(Cl)c1CN1CCCN(CC(F)(F)F)CC1 ZINC000129474296 526362967 /nfs/dbraw/zinc/36/29/67/526362967.db2.gz RZDNUUJYPROPPC-UHFFFAOYSA-N 0 0 322.758 3.116 20 10 DGCDRN c1cc2c(ccnc2NCc2ccc(N3CCOCC3)cc2)o1 ZINC000156798974 526441479 /nfs/dbraw/zinc/44/14/79/526441479.db2.gz XTOYKNPHPKMAOJ-UHFFFAOYSA-N 0 0 309.369 3.277 20 10 DGCDRN c1cnc2ncnc(NCc3ccc(N4CCCC4)cc3)c2c1 ZINC000178868036 526544604 /nfs/dbraw/zinc/54/46/04/526544604.db2.gz IHKGXZSYEDOWSN-UHFFFAOYSA-N 0 0 305.385 3.237 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000159084689 526686528 /nfs/dbraw/zinc/68/65/28/526686528.db2.gz RVJOAYFPQIGRIP-GHMZBOCLSA-N 0 0 317.307 3.083 20 10 DGCDRN O=C(NCc1ccccc1O)[C@@H]1SCCc2sccc21 ZINC000266500999 526755399 /nfs/dbraw/zinc/75/53/99/526755399.db2.gz GCGTVIIIOAPYAO-CQSZACIVSA-N 0 0 305.424 3.101 20 10 DGCDRN Cc1ncc(/C=C/C(=O)N2CCCc3cccc(O)c32)s1 ZINC000182903967 527220152 /nfs/dbraw/zinc/22/01/52/527220152.db2.gz QAWIIWUJJSYFQH-BQYQJAHWSA-N 0 0 300.383 3.150 20 10 DGCDRN Nc1ccc(CC(=O)N2CCSC3(CCCCC3)C2)cc1 ZINC000237895049 527475376 /nfs/dbraw/zinc/47/53/76/527475376.db2.gz JFOBEURAGBZOBB-UHFFFAOYSA-N 0 0 304.459 3.090 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000189932889 527569638 /nfs/dbraw/zinc/56/96/38/527569638.db2.gz SHGIKIZEQRPOHV-RNCFNFMXSA-N 0 0 304.217 3.340 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000365169230 527628032 /nfs/dbraw/zinc/62/80/32/527628032.db2.gz ISMNAEJUJYGBJS-QGZVFWFLSA-N 0 0 321.779 3.108 20 10 DGCDRN CC1CCN(c2ccc(CNc3ccnc(C(N)=O)c3)cc2)CC1 ZINC000132186188 528265969 /nfs/dbraw/zinc/26/59/69/528265969.db2.gz XANLDGHUVUNKSU-UHFFFAOYSA-N 0 0 324.428 3.029 20 10 DGCDRN CCC1(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])CCOCC1 ZINC000273588379 535297780 /nfs/dbraw/zinc/29/77/80/535297780.db2.gz OLPXCJXTVVFSSV-CYBMUJFWSA-N 0 0 321.417 3.036 20 10 DGCDRN CC[C@@H](C)CCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000285147508 535486088 /nfs/dbraw/zinc/48/60/88/535486088.db2.gz RLKBWXHQNYPOKJ-CQSZACIVSA-N 0 0 322.424 3.105 20 10 DGCDRN CCOC(=O)C[C@H](Sc1ncc(C(C)(C)C)s1)C(C)=O ZINC000286450190 535742997 /nfs/dbraw/zinc/74/29/97/535742997.db2.gz INYBLYSNTJKZFI-JTQLQIEISA-N 0 0 315.460 3.444 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H](C)Cn1ccnc1C)c1ccc(F)cc1[O-] ZINC000286277443 535804462 /nfs/dbraw/zinc/80/44/62/535804462.db2.gz VPBYOVMTPDWHKJ-MLGOLLRUSA-N 0 0 305.397 3.413 20 10 DGCDRN CC[C@H]([NH2+][C@H]1COc2ccccc2[C@@H]1O)c1ccc(F)cc1[O-] ZINC000290243980 535948416 /nfs/dbraw/zinc/94/84/16/535948416.db2.gz JIZUDAIZFAKBNX-MPGHIAIKSA-N 0 0 317.360 3.067 20 10 DGCDRN COC1(CC[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCC1 ZINC000293022559 536617657 /nfs/dbraw/zinc/61/76/57/536617657.db2.gz QUAANGZKMAVFNZ-UHFFFAOYSA-N 0 0 314.769 3.003 20 10 DGCDRN COC[C@@H](NCc1ccc(N(C)C)c(C)c1)c1ccc(C)o1 ZINC000294729584 546423756 /nfs/dbraw/zinc/42/37/56/546423756.db2.gz WDZUVFZWHBOPKH-MRXNPFEDSA-N 0 0 302.418 3.440 20 10 DGCDRN Cc1oc(C)c(C(=O)N2CCOc3cc(N(C)C)ccc32)c1C ZINC000670800077 547764463 /nfs/dbraw/zinc/76/44/63/547764463.db2.gz HOYCARMGPUIOEG-UHFFFAOYSA-N 0 0 314.385 3.310 20 10 DGCDRN COc1csc(C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000746853764 574519680 /nfs/dbraw/zinc/51/96/80/574519680.db2.gz SYXDQKIHBNIKIC-UHFFFAOYSA-N 0 0 304.415 3.061 20 10 DGCDRN Cc1cc(C(=O)NCc2cocn2)c(C)n1-c1cccc(C)c1 ZINC000730802784 574536261 /nfs/dbraw/zinc/53/62/61/574536261.db2.gz IFFYRWZVPOGPPQ-UHFFFAOYSA-N 0 0 309.369 3.321 20 10 DGCDRN CC(C)CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000731049861 574542694 /nfs/dbraw/zinc/54/26/94/574542694.db2.gz SJSRPXMULZIXEO-UHFFFAOYSA-N 0 0 303.450 3.378 20 10 DGCDRN CC[C@H](C)NC(=S)NCc1ccc(N(CC)CC)c(F)c1 ZINC000731320761 574547219 /nfs/dbraw/zinc/54/72/19/574547219.db2.gz XQSWJYHDVMRKNG-LBPRGKRZSA-N 0 0 311.470 3.435 20 10 DGCDRN COc1cccc2sc(NC(=O)C3=CC(=O)CS3)nc21 ZINC000731866172 574560611 /nfs/dbraw/zinc/56/06/11/574560611.db2.gz RGGHTYPDEDUBEI-UHFFFAOYSA-N 0 0 306.368 3.324 20 10 DGCDRN CCn1c2ccccc2nc1[C@H](C)NC(=O)C1=CC(=O)CS1 ZINC000731873792 574560673 /nfs/dbraw/zinc/56/06/73/574560673.db2.gz USQYAIYUQDBTAI-JTQLQIEISA-N 0 0 315.398 3.314 20 10 DGCDRN COc1ccc(CN(C(=O)C2=CC(=O)CS2)C2CC2)cc1 ZINC000731864190 574560688 /nfs/dbraw/zinc/56/06/88/574560688.db2.gz OEWBORHQQXBAKP-UHFFFAOYSA-N 0 0 303.383 3.267 20 10 DGCDRN COc1cccc([C@H]2CCCN2C(=O)C2=CC(=O)CS2)c1 ZINC000731867548 574561211 /nfs/dbraw/zinc/56/12/11/574561211.db2.gz WSZYJDNBWMEWJM-CQSZACIVSA-N 0 0 303.383 3.440 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCC(C(=O)c2ccccc2)CC1 ZINC000731868188 574561491 /nfs/dbraw/zinc/56/14/91/574561491.db2.gz QENKXCGZJIJORA-UHFFFAOYSA-N 0 0 315.394 3.189 20 10 DGCDRN Cc1nccc(-c2cccc(NC(=O)C3=CC(=O)CS3)c2)n1 ZINC000732268091 574569462 /nfs/dbraw/zinc/56/94/62/574569462.db2.gz ASHYJYBTSQMFBC-UHFFFAOYSA-N 0 0 311.366 3.471 20 10 DGCDRN O=C(NCc1ccccc1C(F)(F)F)C1=CC(=O)CS1 ZINC000732267524 574569525 /nfs/dbraw/zinc/56/95/25/574569525.db2.gz JHQUBVYBICTZNR-UHFFFAOYSA-N 0 0 301.289 3.403 20 10 DGCDRN CCc1cc(NCc2ccc(N3CCSCC3)cc2)ncn1 ZINC000733186683 574605437 /nfs/dbraw/zinc/60/54/37/574605437.db2.gz DEGSUODUDFGSTR-UHFFFAOYSA-N 0 0 314.458 3.204 20 10 DGCDRN CN(C)c1ccc(CN(c2ncnc3[nH]ccc32)C2CC2)cc1 ZINC000733188173 574606113 /nfs/dbraw/zinc/60/61/13/574606113.db2.gz JYVRLRCCCPBLGZ-UHFFFAOYSA-N 0 0 307.401 3.193 20 10 DGCDRN CCc1ccccc1NC(=S)NCc1cc(OC)ccc1O ZINC000733907181 574642670 /nfs/dbraw/zinc/64/26/70/574642670.db2.gz UTXZHGQXBLAREL-UHFFFAOYSA-N 0 0 316.426 3.450 20 10 DGCDRN COc1ccc(O)c(CNC(=S)N[C@H](C)c2cccs2)c1 ZINC000733906428 574642691 /nfs/dbraw/zinc/64/26/91/574642691.db2.gz LRIKQBBCMGISLD-SNVBAGLBSA-N 0 0 322.455 3.188 20 10 DGCDRN COc1ccc(O)c(CNC(=S)Nc2ccc(F)cc2F)c1 ZINC000733906663 574642694 /nfs/dbraw/zinc/64/26/94/574642694.db2.gz ORPUMOUVZYTAED-UHFFFAOYSA-N 0 0 324.352 3.166 20 10 DGCDRN COc1ccc(O)c(CNc2ccnc(-c3ccccc3)n2)c1 ZINC000733994896 574646225 /nfs/dbraw/zinc/64/62/25/574646225.db2.gz UTEYTERXNIJXKU-UHFFFAOYSA-N 0 0 307.353 3.470 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@H]2CCCc3ccccc32)c1 ZINC000734016427 574648045 /nfs/dbraw/zinc/64/80/45/574648045.db2.gz QAJFKXAANIKATP-KRWDZBQOSA-N 0 0 311.381 3.137 20 10 DGCDRN Cc1ccc(O)c(C(=O)NCCCSc2nccs2)c1 ZINC000734358795 574659384 /nfs/dbraw/zinc/65/93/84/574659384.db2.gz OOFFBTXLRPKMQX-UHFFFAOYSA-N 0 0 308.428 3.069 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)/C=C/c1ccsc1 ZINC000734405746 574659667 /nfs/dbraw/zinc/65/96/67/574659667.db2.gz YKGWQIYMQVOJTE-QPJJXVBHSA-N 0 0 300.427 3.452 20 10 DGCDRN Cc1cccc(CNC(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000734518679 574664546 /nfs/dbraw/zinc/66/45/46/574664546.db2.gz HVLWXCVFVHVSKV-UHFFFAOYSA-N 0 0 311.429 3.369 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCCC[C@@H]1C ZINC000734517958 574664570 /nfs/dbraw/zinc/66/45/70/574664570.db2.gz VSVHKMMPELOJNG-GUYCJALGSA-N 0 0 303.450 3.439 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000734687959 574672463 /nfs/dbraw/zinc/67/24/63/574672463.db2.gz ZQTZWYTYBKWOHG-OKILXGFUSA-N 0 0 303.450 3.249 20 10 DGCDRN CCO[C@@H](C)c1noc(CN2CCCc3cc(OC)ccc32)n1 ZINC000736620129 574761323 /nfs/dbraw/zinc/76/13/23/574761323.db2.gz BDQGAKWCPZHRSY-LBPRGKRZSA-N 0 0 317.389 3.129 20 10 DGCDRN CC[C@]([NH2+]Cc1ccc2c(c1)CCO2)(C(=O)[O-])c1ccccc1 ZINC000736919527 574810885 /nfs/dbraw/zinc/81/08/85/574810885.db2.gz AZMZRKPRCABYMS-LJQANCHMSA-N 0 0 311.381 3.101 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)N2CCCC[C@@H]2CC)cc1 ZINC000739923493 574915791 /nfs/dbraw/zinc/91/57/91/574915791.db2.gz GUYTYPVFDZFXMW-HNNXBMFYSA-N 0 0 304.434 3.313 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000739922391 574915883 /nfs/dbraw/zinc/91/58/83/574915883.db2.gz JVPDAMGUVLCIAC-RVKKMQEKSA-N 0 0 318.461 3.462 20 10 DGCDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C1=CC(=O)CS1 ZINC000740129351 574924972 /nfs/dbraw/zinc/92/49/72/574924972.db2.gz WWORTFUKFVUROK-UHFFFAOYSA-N 0 0 320.370 3.115 20 10 DGCDRN S=C(NCc1ccc(N2CC=CC2)cc1)NC1CCCCC1 ZINC000740628572 574937910 /nfs/dbraw/zinc/93/79/10/574937910.db2.gz FWMSPSGGWHIBRZ-UHFFFAOYSA-N 0 0 315.486 3.360 20 10 DGCDRN O=C(CC[C@H]1CCCO1)NCc1ccc(N2CCCCC2)cc1 ZINC000742475521 575002091 /nfs/dbraw/zinc/00/20/91/575002091.db2.gz ONJMTXMESAZDQG-GOSISDBHSA-N 0 0 316.445 3.252 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCOC2CCC2)cc1 ZINC000742817532 575020316 /nfs/dbraw/zinc/02/03/16/575020316.db2.gz PDFUZRCCRLKYNG-UHFFFAOYSA-N 0 0 312.413 3.393 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CC[C@@H]1CC[C@H](C)O1 ZINC000743293416 575042220 /nfs/dbraw/zinc/04/22/20/575042220.db2.gz YSNWNTFJLZCCAH-YJBOKZPZSA-N 0 0 318.461 3.449 20 10 DGCDRN O=C(NCc1ccccc1O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000743326725 575043317 /nfs/dbraw/zinc/04/33/17/575043317.db2.gz HTGUCGRJFKRRHG-TZMCWYRMSA-N 0 0 303.308 3.090 20 10 DGCDRN CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NCc1ccccc1O ZINC000743328383 575043375 /nfs/dbraw/zinc/04/33/75/575043375.db2.gz SRIFVBUWUBWWOZ-UNEWFSDZSA-N 0 0 305.418 3.382 20 10 DGCDRN O=C(NCc1coc(-c2ccccc2)n1)C1=CC(=O)CS1 ZINC000743598931 575058015 /nfs/dbraw/zinc/05/80/15/575058015.db2.gz PAZWSICIUVXKBB-UHFFFAOYSA-N 0 0 300.339 3.039 20 10 DGCDRN CSCC[C@@H](C)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743620696 575059071 /nfs/dbraw/zinc/05/90/71/575059071.db2.gz CLVFQEARBRDFDA-GFCCVEGCSA-N 0 0 322.474 3.212 20 10 DGCDRN CC[C@H](OC)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000743749718 575062517 /nfs/dbraw/zinc/06/25/17/575062517.db2.gz JTLWOZIUVCDANZ-SFHVURJKSA-N 0 0 314.429 3.178 20 10 DGCDRN CC[C@](C)(O)CNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000743760193 575062889 /nfs/dbraw/zinc/06/28/89/575062889.db2.gz KCDBOJPHPUTWKH-IBGZPJMESA-N 0 0 314.429 3.293 20 10 DGCDRN COc1ccc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000728939127 575196548 /nfs/dbraw/zinc/19/65/48/575196548.db2.gz XPLDRCMDSIUFLX-LLVKDONJSA-N 0 0 316.357 3.292 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)Cc2ccc(C)c(C)c2)c1 ZINC000728980496 575198975 /nfs/dbraw/zinc/19/89/75/575198975.db2.gz HZZLROAOGMFOJG-AWEZNQCLSA-N 0 0 313.397 3.438 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCc2ccccc2F)c1 ZINC000728983778 575199184 /nfs/dbraw/zinc/19/91/84/575199184.db2.gz GEAQYHCHFFGTMT-GFCCVEGCSA-N 0 0 317.360 3.350 20 10 DGCDRN COc1cccc(CNC(=O)c2cc3cc(C)ccc3[nH]2)c1O ZINC000729859081 575264852 /nfs/dbraw/zinc/26/48/52/575264852.db2.gz HINODKYHEZSATJ-UHFFFAOYSA-N 0 0 310.353 3.121 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)OCc1cnn(C)c1 ZINC000745242146 575386201 /nfs/dbraw/zinc/38/62/01/575386201.db2.gz HKRDDQNEDFEEEE-UHFFFAOYSA-N 0 0 323.396 3.493 20 10 DGCDRN COc1cccc(CNC(=O)NCCC2CCCCC2)c1O ZINC000745529242 575398580 /nfs/dbraw/zinc/39/85/80/575398580.db2.gz NFJIIEIZDCESKB-UHFFFAOYSA-N 0 0 306.406 3.170 20 10 DGCDRN C[C@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)C1CC1 ZINC000745771179 575416466 /nfs/dbraw/zinc/41/64/66/575416466.db2.gz HWVZNCRKAGHZID-GFCCVEGCSA-N 0 0 302.418 3.116 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC000745819500 575418694 /nfs/dbraw/zinc/41/86/94/575418694.db2.gz DXSIMCAQQYGRHD-GZBFAFLISA-N 0 0 318.417 3.169 20 10 DGCDRN CCN(CC(=O)NC1CCC(C)CC1)c1ccc(OC)cc1 ZINC000746108746 575433185 /nfs/dbraw/zinc/43/31/85/575433185.db2.gz AFJAUHPKSQEPTC-UHFFFAOYSA-N 0 0 304.434 3.216 20 10 DGCDRN CCN(CC(=O)N[C@H]1CCCC[C@H]1C)c1ccc(OC)cc1 ZINC000746109772 575433348 /nfs/dbraw/zinc/43/33/48/575433348.db2.gz VLIICXSQRWKNHS-PBHICJAKSA-N 0 0 304.434 3.216 20 10 DGCDRN COCCC1(C(=O)NCc2ccc(N3CCCCC3)cc2)CC1 ZINC000746148826 575436205 /nfs/dbraw/zinc/43/62/05/575436205.db2.gz SWDUJQRYPZQHLF-UHFFFAOYSA-N 0 0 316.445 3.110 20 10 DGCDRN CCCCn1nnnc1CN(CC(C)C)c1ccc(OC)cc1 ZINC000746170734 575437626 /nfs/dbraw/zinc/43/76/26/575437626.db2.gz AVMXGMIRZHCKAG-UHFFFAOYSA-N 0 0 317.437 3.144 20 10 DGCDRN c1csc(SCCCNc2nccc(N3CCCC3)n2)n1 ZINC000746460884 575454010 /nfs/dbraw/zinc/45/40/10/575454010.db2.gz MBIZKPBPDNTNHH-UHFFFAOYSA-N 0 0 321.475 3.128 20 10 DGCDRN COCCN(CCc1cccs1)c1ccc(OC)c(OC)c1 ZINC000746475501 575454154 /nfs/dbraw/zinc/45/41/54/575454154.db2.gz VFMROFZKSDEYKH-UHFFFAOYSA-N 0 0 321.442 3.461 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2CCOc1ccccc1F ZINC000746492688 575455607 /nfs/dbraw/zinc/45/56/07/575455607.db2.gz JRFNVBIUNWMHGC-UHFFFAOYSA-N 0 0 316.376 3.170 20 10 DGCDRN CN1CCCc2cc(CNC(=O)NCCC3CCCC3)ccc21 ZINC000746718605 575471804 /nfs/dbraw/zinc/47/18/04/575471804.db2.gz KMNGTWBOGJYLGQ-UHFFFAOYSA-N 0 0 315.461 3.449 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C(F)(F)c2ccccc2)cc1F ZINC000746803190 575476106 /nfs/dbraw/zinc/47/61/06/575476106.db2.gz OIZSSRBIAKAZCC-UHFFFAOYSA-N 0 0 322.330 3.300 20 10 DGCDRN CCCCSCC(=O)NCc1ccc2c(c1)CCCN2C ZINC000746813080 575476531 /nfs/dbraw/zinc/47/65/31/575476531.db2.gz PWSNMELAYQDBHV-UHFFFAOYSA-N 0 0 306.475 3.219 20 10 DGCDRN CCCN(CC)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000746947034 575485200 /nfs/dbraw/zinc/48/52/00/575485200.db2.gz VJHNAAVICQZMLP-UHFFFAOYSA-N 0 0 321.490 3.181 20 10 DGCDRN COc1ccc([C@@H](C)NC(=O)N(C)Cc2ccccc2O)cc1 ZINC000746963843 575486533 /nfs/dbraw/zinc/48/65/33/575486533.db2.gz WOKNIQJQACXTJO-CYBMUJFWSA-N 0 0 314.385 3.303 20 10 DGCDRN C[C@@H]1C[C@@H](C)CN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000746981162 575487609 /nfs/dbraw/zinc/48/76/09/575487609.db2.gz MNDRNMNYJAEOKQ-HUUCEWRRSA-N 0 0 315.461 3.257 20 10 DGCDRN CON(C)C(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000747574045 575525356 /nfs/dbraw/zinc/52/53/56/575525356.db2.gz LJXORRCQVSCTHX-UHFFFAOYSA-N 0 0 306.793 3.310 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCn2cccc2)cc1 ZINC000747992792 575555971 /nfs/dbraw/zinc/55/59/71/575555971.db2.gz XICZSSNPECYRSY-UHFFFAOYSA-N 0 0 307.397 3.326 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2[nH]cnc2C)cc1 ZINC000748000180 575555982 /nfs/dbraw/zinc/55/59/82/575555982.db2.gz PKJYWLOBBGUJOZ-UHFFFAOYSA-N 0 0 308.385 3.056 20 10 DGCDRN COc1cccc(CNC(=S)Nc2c(C)cccc2C)n1 ZINC000748044895 575558240 /nfs/dbraw/zinc/55/82/40/575558240.db2.gz OWFBHRMYMRFYAU-UHFFFAOYSA-N 0 0 301.415 3.194 20 10 DGCDRN CN(C)c1ccc(CN(c2ncc(Cl)cn2)C2CC2)cc1 ZINC000748272981 575576936 /nfs/dbraw/zinc/57/69/36/575576936.db2.gz BLVILRBZXZPOMI-UHFFFAOYSA-N 0 0 302.809 3.365 20 10 DGCDRN O=C(NCc1ccccc1O)c1cc(Br)cs1 ZINC000748346542 575581198 /nfs/dbraw/zinc/58/11/98/575581198.db2.gz LJOQXFFQONAPRX-UHFFFAOYSA-N 0 0 312.188 3.146 20 10 DGCDRN O=C(NCc1ccccc1O)c1ccc(-c2ccccc2)[nH]c1=O ZINC000748344829 575581448 /nfs/dbraw/zinc/58/14/48/575581448.db2.gz CUQIUEBNQMVXJQ-UHFFFAOYSA-N 0 0 320.348 3.090 20 10 DGCDRN Cc1c(C(=O)NCc2ccccc2O)cnn1-c1cccc(C)c1 ZINC000748346188 575581800 /nfs/dbraw/zinc/58/18/00/575581800.db2.gz OVZPBLCNYUCMAK-UHFFFAOYSA-N 0 0 321.380 3.125 20 10 DGCDRN O=C(CCC(=O)c1ccc2c(c1)CCC2)NCc1ccccc1O ZINC000748350512 575581974 /nfs/dbraw/zinc/58/19/74/575581974.db2.gz VMKBSXJOUGENBY-UHFFFAOYSA-N 0 0 323.392 3.160 20 10 DGCDRN Cc1nc2cc(F)ccc2cc1C(=O)NCc1ccccc1O ZINC000748350384 575581994 /nfs/dbraw/zinc/58/19/94/575581994.db2.gz PGDGENDPLICGRD-UHFFFAOYSA-N 0 0 310.328 3.318 20 10 DGCDRN Cc1onc(-c2ccccc2)c1C(=O)NCc1ccccc1O ZINC000748355151 575583140 /nfs/dbraw/zinc/58/31/40/575583140.db2.gz TZMHVXOMRLSDAH-UHFFFAOYSA-N 0 0 308.337 3.286 20 10 DGCDRN COc1ccc(F)cc1[C@H](C)NC(=O)NCc1ccccc1O ZINC000748460297 575587996 /nfs/dbraw/zinc/58/79/96/575587996.db2.gz NPDLAPMACQYUNF-NSHDSACASA-N 0 0 318.348 3.100 20 10 DGCDRN COc1ccc(F)cc1[C@@H](C)NC(=O)NCc1ccccc1O ZINC000748460295 575588085 /nfs/dbraw/zinc/58/80/85/575588085.db2.gz NPDLAPMACQYUNF-LLVKDONJSA-N 0 0 318.348 3.100 20 10 DGCDRN O=C(NCCCSc1ccccc1)NCc1ccccc1O ZINC000748461347 575588513 /nfs/dbraw/zinc/58/85/13/575588513.db2.gz WCEKNOMUNSQBGW-UHFFFAOYSA-N 0 0 316.426 3.374 20 10 DGCDRN O=C(NCc1ccc(C(F)(F)F)cc1)NCc1ccccc1O ZINC000748463463 575588591 /nfs/dbraw/zinc/58/85/91/575588591.db2.gz RQSAHIBRZADUMF-UHFFFAOYSA-N 0 0 324.302 3.410 20 10 DGCDRN COc1ccc(N(CC(=O)N2CCC[C@H](C)C2)C(C)C)cc1F ZINC000749151566 575630895 /nfs/dbraw/zinc/63/08/95/575630895.db2.gz TXVBIVNURWUYLZ-AWEZNQCLSA-N 0 0 322.424 3.308 20 10 DGCDRN C[C@@H](Cc1ccncc1)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000749296280 575643132 /nfs/dbraw/zinc/64/31/32/575643132.db2.gz PMZCSNBOYRINFZ-JTQLQIEISA-N 0 0 321.764 3.070 20 10 DGCDRN COc1ccc(-n2c(C)cc(C(=O)Nc3cnoc3)c2C)cc1 ZINC000749642989 575670611 /nfs/dbraw/zinc/67/06/11/575670611.db2.gz ZWMXZTVTSRGQKA-UHFFFAOYSA-N 0 0 311.341 3.343 20 10 DGCDRN Cc1cc(C(=O)OCCOC2CCC2)c(C)n1-c1ccccn1 ZINC000750770385 575750334 /nfs/dbraw/zinc/75/03/34/575750334.db2.gz HGPVDAWSXFZEEF-UHFFFAOYSA-N 0 0 314.385 3.215 20 10 DGCDRN Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccccc2O)c1C ZINC000751151652 575771954 /nfs/dbraw/zinc/77/19/54/575771954.db2.gz TUJKQOHRPMVCRE-UHFFFAOYSA-N 0 0 319.426 3.104 20 10 DGCDRN CC(C)=C(C)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000751200906 575775328 /nfs/dbraw/zinc/77/53/28/575775328.db2.gz YFVYDJBQEXUNJO-INIZCTEOSA-N 0 0 303.402 3.256 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)CC[C@@H]2CCOC2)cc1 ZINC000751224585 575776073 /nfs/dbraw/zinc/77/60/73/575776073.db2.gz MWFGAROEEGEHTM-QGZVFWFLSA-N 0 0 318.461 3.308 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)[C@@H]1C[C@@H]1C1CC1 ZINC000751306038 575779482 /nfs/dbraw/zinc/77/94/82/575779482.db2.gz OPGZCXXLYIHWAY-ZIAGYGMSSA-N 0 0 318.380 3.381 20 10 DGCDRN O=C(CC[C@H]1CCOC1)NCc1ccc(N2CCCCC2)cc1 ZINC000751362102 575781476 /nfs/dbraw/zinc/78/14/76/575781476.db2.gz SWGZDFGAMMUSLW-KRWDZBQOSA-N 0 0 316.445 3.110 20 10 DGCDRN CCOc1cccc([C@@H](C)NC(=O)c2ccc(C)c(O)c2O)c1 ZINC000751536560 575789983 /nfs/dbraw/zinc/78/99/83/575789983.db2.gz ZEOIQFCYOVGKIA-GFCCVEGCSA-N 0 0 315.369 3.296 20 10 DGCDRN CSCCCOC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000751930319 575812677 /nfs/dbraw/zinc/81/26/77/575812677.db2.gz CMULAKQWNZLQCI-UHFFFAOYSA-N 0 0 322.455 3.226 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C)[C@H](C)C2)cc1F ZINC000752010357 575818099 /nfs/dbraw/zinc/81/80/99/575818099.db2.gz OUDRDUJTKYFCHZ-ZIAGYGMSSA-N 0 0 321.440 3.469 20 10 DGCDRN COc1ccc(N(C)Cc2cn3cccc(C)c3n2)c(OC)c1 ZINC000752108500 575823539 /nfs/dbraw/zinc/82/35/39/575823539.db2.gz APZDHIDXUKKTGD-UHFFFAOYSA-N 0 0 311.385 3.296 20 10 DGCDRN CCOc1ccc(N(C)C(=O)c2c[nH]nc2-c2cccnc2)cc1 ZINC000752436988 575837000 /nfs/dbraw/zinc/83/70/00/575837000.db2.gz FQHVQKVJZLIGAV-UHFFFAOYSA-N 0 0 322.368 3.147 20 10 DGCDRN C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000725847307 575929199 /nfs/dbraw/zinc/92/91/99/575929199.db2.gz ZQHVJGXOARJMGG-HZMBPMFUSA-N 0 0 302.330 3.307 20 10 DGCDRN CN(c1ccc(CNC(=O)c2cnc[nH]2)cc1)C1CCCCC1 ZINC000725891426 575953335 /nfs/dbraw/zinc/95/33/35/575953335.db2.gz CPLPASAUWJDAMK-UHFFFAOYSA-N 0 0 312.417 3.109 20 10 DGCDRN Cn1cc(/C=C\C(=O)N2CC3(CCC3)c3c2cccc3F)cn1 ZINC000726151271 576010610 /nfs/dbraw/zinc/01/06/10/576010610.db2.gz DGHCCRGZGHOXJD-SREVYHEPSA-N 0 0 311.360 3.041 20 10 DGCDRN COc1ccc(NC(=S)NNc2cccc(F)c2)cc1F ZINC000726479305 576026586 /nfs/dbraw/zinc/02/65/86/576026586.db2.gz YWJWGGXXZCLJMW-UHFFFAOYSA-N 0 0 309.341 3.287 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)NCC[C@H](C)OC)cc1 ZINC000726713544 576038178 /nfs/dbraw/zinc/03/81/78/576038178.db2.gz GQDUDLBXXRGBOJ-HNNXBMFYSA-N 0 0 321.465 3.099 20 10 DGCDRN Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccccn1 ZINC000726869785 576047063 /nfs/dbraw/zinc/04/70/63/576047063.db2.gz VHTHCIKHCIUJJC-UHFFFAOYSA-N 0 0 324.409 3.213 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cccc3c2ccn3C)cc1 ZINC000726932237 576078224 /nfs/dbraw/zinc/07/82/24/576078224.db2.gz YEPWIELXDKTAKS-UHFFFAOYSA-N 0 0 307.397 3.174 20 10 DGCDRN Cc1[nH]c2ccccc2c1CCNC(=O)NCc1ccccc1O ZINC000727032202 576096549 /nfs/dbraw/zinc/09/65/49/576096549.db2.gz GHCAIRCWEJBVEY-UHFFFAOYSA-N 0 0 323.396 3.224 20 10 DGCDRN Cc1cc(C(=O)OCC2(C)COC2)c(C)n1-c1ccc(F)cc1 ZINC000727047963 576098020 /nfs/dbraw/zinc/09/80/20/576098020.db2.gz HNCUSRRTJMLFGX-UHFFFAOYSA-N 0 0 317.360 3.427 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NCCCc2ccco2)cc1 ZINC000852679798 620640502 /nfs/dbraw/zinc/64/05/02/620640502.db2.gz BUNQANZOWOHVGW-UHFFFAOYSA-N 0 0 315.417 3.120 20 10 DGCDRN CCN(C)c1ccc(CN[C@@H](CO)c2ccc(F)cc2F)cc1 ZINC000852714025 620642294 /nfs/dbraw/zinc/64/22/94/620642294.db2.gz VEVSOFXDQQSULZ-SFHVURJKSA-N 0 0 320.383 3.244 20 10 DGCDRN C[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000852741119 620644502 /nfs/dbraw/zinc/64/45/02/620644502.db2.gz FPWMMPDSKIOZMH-SWLSCSKDSA-N 0 0 316.367 3.294 20 10 DGCDRN Cc1cc(C(=O)NCc2ccc(O)cc2)c(C)n1-c1ccccn1 ZINC000916951954 620650673 /nfs/dbraw/zinc/65/06/73/620650673.db2.gz MMZCMPDZFJTWAJ-UHFFFAOYSA-N 0 0 321.380 3.125 20 10 DGCDRN CC(C)N(CC(=O)OC(C)(C)C)Cc1ccc(N(C)C)cc1 ZINC000917075500 620654974 /nfs/dbraw/zinc/65/49/74/620654974.db2.gz XUUUSAQPCDDBTG-UHFFFAOYSA-N 0 0 306.450 3.305 20 10 DGCDRN CCCSCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917094444 620656585 /nfs/dbraw/zinc/65/65/85/620656585.db2.gz AFNMZEBNZZSLTF-UHFFFAOYSA-N 0 0 306.475 3.387 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)CCc1nc2ccccc2o1 ZINC000917309063 620664215 /nfs/dbraw/zinc/66/42/15/620664215.db2.gz FDFGRPUJYSTNNM-UHFFFAOYSA-N 0 0 310.353 3.125 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1c[nH]c2ncccc12 ZINC000917410775 620668639 /nfs/dbraw/zinc/66/86/39/620668639.db2.gz NJFCDQANGANXIZ-UHFFFAOYSA-N 0 0 320.396 3.093 20 10 DGCDRN CCCN(CCC)c1ccc([C@@H]2NC(=O)CN2CC(C)C)cc1 ZINC000917505720 620672029 /nfs/dbraw/zinc/67/20/29/620672029.db2.gz DDDZCISBQZUCPE-LJQANCHMSA-N 0 0 317.477 3.399 20 10 DGCDRN O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000111171234 620678523 /nfs/dbraw/zinc/67/85/23/620678523.db2.gz IIAXNYBOEXDOKY-MRXNPFEDSA-N 0 0 324.424 3.132 20 10 DGCDRN C[N@H+](CC(=O)NC1(c2ccccc2)CCC1)Cc1ccccc1O ZINC000111235213 620685070 /nfs/dbraw/zinc/68/50/70/620685070.db2.gz RSFAEYIMEHBCFY-UHFFFAOYSA-N 0 0 324.424 3.020 20 10 DGCDRN CCOC(=O)c1cccc(N(CC)C(=O)/C=C/c2cccnc2)c1 ZINC000917874858 620686896 /nfs/dbraw/zinc/68/68/96/620686896.db2.gz UHXCYKFCQPLHHU-ZHACJKMWSA-N 0 0 324.380 3.325 20 10 DGCDRN CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccccc1O ZINC000111393501 620706230 /nfs/dbraw/zinc/70/62/30/620706230.db2.gz NMMKIFZAPMXREH-HNNXBMFYSA-N 0 0 322.449 3.421 20 10 DGCDRN C[C@H](Cc1ccsc1)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000918542456 620714125 /nfs/dbraw/zinc/71/41/25/620714125.db2.gz YDMCTOKRRNEBAO-CYBMUJFWSA-N 0 0 317.458 3.245 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Cc2cc3ccccc3o2)cc1 ZINC000918755291 620723821 /nfs/dbraw/zinc/72/38/21/620723821.db2.gz YKLVKSLWBRQTNK-UHFFFAOYSA-N 0 0 308.381 3.358 20 10 DGCDRN Cc1cc(C(=O)Cn2cnc(C)n2)c(C)n1-c1cccc(C)c1 ZINC000853718776 620728639 /nfs/dbraw/zinc/72/86/39/620728639.db2.gz NYUOQPLPWBNBBW-UHFFFAOYSA-N 0 0 308.385 3.185 20 10 DGCDRN CCC(=O)[C@H](C)OC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000919076408 620735620 /nfs/dbraw/zinc/73/56/20/620735620.db2.gz HZKGTWCQIWVMOB-ZDUSSCGKSA-N 0 0 300.358 3.014 20 10 DGCDRN CC(C)CC1(NC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000853775959 620736769 /nfs/dbraw/zinc/73/67/69/620736769.db2.gz IRAHORBUWFHJLW-UHFFFAOYSA-N 0 0 313.445 3.441 20 10 DGCDRN Cc1ccc(/C=C/C(=O)N2CC3(CC3)Oc3ccccc32)cn1 ZINC000890619946 617627963 /nfs/dbraw/zinc/62/79/63/617627963.db2.gz UTUJRUHLEYNQKM-CMDGGOBGSA-N 0 0 306.365 3.361 20 10 DGCDRN Cc1cc(C(=O)N[C@H]2CC23CC(O)C3)c(C)n1-c1cccc(C)c1 ZINC000888976153 617644694 /nfs/dbraw/zinc/64/46/94/617644694.db2.gz CXQDNLMTDFWFBD-IPCDKGFNSA-N 0 0 324.424 3.046 20 10 DGCDRN COc1ccc(CNc2ccc([N+](=O)[O-])cc2C(C)=O)c(O)c1 ZINC000804683467 617650801 /nfs/dbraw/zinc/65/08/01/617650801.db2.gz XUMIBWPGLPMQCN-UHFFFAOYSA-N 0 0 316.313 3.124 20 10 DGCDRN Cc1noc(C)c1[C@H](C)C(=O)NCc1cccc(Cl)c1O ZINC000890758008 617655814 /nfs/dbraw/zinc/65/58/14/617655814.db2.gz POSXPKHJGHLZIG-QMMMGPOBSA-N 0 0 308.765 3.070 20 10 DGCDRN Cc1cc(C)n([C@H](C)CC(=O)NCc2cccc(Cl)c2O)n1 ZINC000890757767 617655878 /nfs/dbraw/zinc/65/58/78/617655878.db2.gz LBYIFFYPIRUPOK-GFCCVEGCSA-N 0 0 321.808 3.126 20 10 DGCDRN CC(C)CCSCC(=O)NCc1cccc(Cl)c1O ZINC000890757759 617655940 /nfs/dbraw/zinc/65/59/40/617655940.db2.gz KTYLIMOXEUTUEV-UHFFFAOYSA-N 0 0 301.839 3.441 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1ccnc(C2CC2)c1 ZINC000890759253 617656359 /nfs/dbraw/zinc/65/63/59/617656359.db2.gz IOFKNGDIPRLPRQ-UHFFFAOYSA-N 0 0 302.761 3.248 20 10 DGCDRN CC[C@H](C)CC[C@@H](O)CC(=O)NCc1cccc(Cl)c1O ZINC000890759095 617656484 /nfs/dbraw/zinc/65/64/84/617656484.db2.gz BZIWSMOCLONTCQ-WCQYABFASA-N 0 0 313.825 3.239 20 10 DGCDRN Cc1csc(CCC(=O)NCc2cccc(Cl)c2O)n1 ZINC000890759967 617656980 /nfs/dbraw/zinc/65/69/80/617656980.db2.gz XKBHBFJCYPOVDQ-UHFFFAOYSA-N 0 0 310.806 3.060 20 10 DGCDRN CO[C@@H](C(=O)NCc1cccc(Cl)c1O)C1CCCCC1 ZINC000890761146 617657146 /nfs/dbraw/zinc/65/71/46/617657146.db2.gz MBZIZUJNLWKRCJ-OAHLLOKOSA-N 0 0 311.809 3.257 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@H]1CCOC2(CCC2)C1 ZINC000890763154 617658326 /nfs/dbraw/zinc/65/83/26/617658326.db2.gz PGXXDGMZMMFEQJ-NSHDSACASA-N 0 0 309.793 3.011 20 10 DGCDRN CC1(C)CC[C@@H](CC(=O)NCc2cccc(Cl)c2O)OC1 ZINC000890763119 617658501 /nfs/dbraw/zinc/65/85/01/617658501.db2.gz NSRXZIIDDQHVOR-LBPRGKRZSA-N 0 0 311.809 3.257 20 10 DGCDRN O=C(NCc1cc(Br)ccc1O)C(C1CC1)C1CC1 ZINC000804738666 617662398 /nfs/dbraw/zinc/66/23/98/617662398.db2.gz ZANDQSBBIFWCBK-UHFFFAOYSA-N 0 0 324.218 3.207 20 10 DGCDRN O=C(/C=C/c1ccco1)NCc1cc(Br)ccc1O ZINC000804739177 617662504 /nfs/dbraw/zinc/66/25/04/617662504.db2.gz UFJJEPBFLHVFEJ-GQCTYLIASA-N 0 0 322.158 3.077 20 10 DGCDRN O=C(NCC1C[C@H]2CC[C@@H](C1)S2)N1Cc2cccc(O)c2C1 ZINC000924325398 617691691 /nfs/dbraw/zinc/69/16/91/617691691.db2.gz GOVJBZLUVCTUOC-QXMXGUDHSA-N 0 0 318.442 3.092 20 10 DGCDRN CC[C@@H](C)CCNC(=O)NCCCSc1nccs1 ZINC000853856207 620746405 /nfs/dbraw/zinc/74/64/05/620746405.db2.gz UGRRBZDZLBNWEK-LLVKDONJSA-N 0 0 301.481 3.361 20 10 DGCDRN COc1ccc(C[N@@H+]2CCC[C@H]2c2cccn2C)c(O)c1OC ZINC000891503770 617818612 /nfs/dbraw/zinc/81/86/12/617818612.db2.gz WEIBXMOFYWCQNY-HNNXBMFYSA-N 0 0 316.401 3.085 20 10 DGCDRN C[C@@H](O)c1cccc(N(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000891919463 617925360 /nfs/dbraw/zinc/92/53/60/617925360.db2.gz XKTMBAPALXIYMG-CQSZACIVSA-N 0 0 311.429 3.370 20 10 DGCDRN CCCCc1nc(CN2CCCc3cc(OC)ccc32)no1 ZINC000919722340 620763187 /nfs/dbraw/zinc/76/31/87/620763187.db2.gz USEKEUHPTWYEFL-UHFFFAOYSA-N 0 0 301.390 3.374 20 10 DGCDRN COc1cc(C(=O)NCc2ccc(N(C)C)cc2C)ccc1F ZINC000155091958 620766951 /nfs/dbraw/zinc/76/69/51/620766951.db2.gz VESCQOVAGVQLEJ-UHFFFAOYSA-N 0 0 316.376 3.139 20 10 DGCDRN COc1ccc(CNc2ccc(N(C)C)cc2)c(O)c1OC ZINC000892312748 618017318 /nfs/dbraw/zinc/01/73/18/618017318.db2.gz GZYXGAATQSSMJP-UHFFFAOYSA-N 0 0 302.374 3.088 20 10 DGCDRN CO[C@@H]1CC[C@H]1N(C)C(=O)c1sccc1-n1c(C)ccc1C ZINC000889355879 618035449 /nfs/dbraw/zinc/03/54/49/618035449.db2.gz KFCVLPCHOIRDFF-UKRRQHHQSA-N 0 0 318.442 3.405 20 10 DGCDRN CO[C@@H]1CC[C@@H]1N(C)C(=O)c1sccc1-n1c(C)ccc1C ZINC000889355877 618035585 /nfs/dbraw/zinc/03/55/85/618035585.db2.gz KFCVLPCHOIRDFF-DZGCQCFKSA-N 0 0 318.442 3.405 20 10 DGCDRN C[C@@H]1CCCC[C@H]1CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000920232377 620790453 /nfs/dbraw/zinc/79/04/53/620790453.db2.gz QAHMDRZPPPVPNH-ZBFHGGJFSA-N 0 0 303.450 3.378 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ncoc1-c1ccccc1 ZINC000112114403 620791247 /nfs/dbraw/zinc/79/12/47/620791247.db2.gz QAOUUCGOZSHQTG-UHFFFAOYSA-N 0 0 308.337 3.319 20 10 DGCDRN COc1cccc(NNC(=S)Nc2cccc(OC)c2)c1 ZINC000018167678 618310284 /nfs/dbraw/zinc/31/02/84/618310284.db2.gz FHOKHLVNDQVXEE-UHFFFAOYSA-N 0 0 303.387 3.017 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000894438721 618333678 /nfs/dbraw/zinc/33/36/78/618333678.db2.gz TWMLBDXVCKYSOZ-ZDUSSCGKSA-N 0 0 304.340 3.130 20 10 DGCDRN CCN(CC)c1ccc(CNCc2nccn2C2CC2)cc1F ZINC000892948112 618364686 /nfs/dbraw/zinc/36/46/86/618364686.db2.gz MWGLSCIKHYDKDA-UHFFFAOYSA-N 0 0 316.424 3.493 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CC[C@H](OC)C1 ZINC000854374870 620799035 /nfs/dbraw/zinc/79/90/35/620799035.db2.gz ZNTSDHKCQLLJEM-HOCLYGCPSA-N 0 0 305.418 3.336 20 10 DGCDRN CCOc1ccc([C@H]2NC(=O)c3cc(Cl)ccc3N2)c(O)c1 ZINC000920408193 620799272 /nfs/dbraw/zinc/79/92/72/620799272.db2.gz ZACSFOWEVVIDST-OAHLLOKOSA-N 0 0 318.760 3.298 20 10 DGCDRN CC[C@@H](C)c1nnc([C@@H](C)NCc2cc(C)cc(OC)c2O)[nH]1 ZINC000894554918 618384890 /nfs/dbraw/zinc/38/48/90/618384890.db2.gz BPFVCVRBZZSHNF-VXGBXAGGSA-N 0 0 318.421 3.192 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(CC1CC1)C(C)C ZINC000893054194 618406655 /nfs/dbraw/zinc/40/66/55/618406655.db2.gz VULHOYYHXFZUGP-UHFFFAOYSA-N 0 0 303.450 3.391 20 10 DGCDRN COc1cc(C)cc(C[NH2+][C@@H](C)c2c(F)cncc2F)c1O ZINC000894756958 618447600 /nfs/dbraw/zinc/44/76/00/618447600.db2.gz OPFIGAOXACROHJ-JTQLQIEISA-N 0 0 308.328 3.233 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000894779604 618454554 /nfs/dbraw/zinc/45/45/54/618454554.db2.gz JOMOWKGADABWTD-CHWSQXEVSA-N 0 0 311.372 3.309 20 10 DGCDRN CC[C@H](CO)[N@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000894871450 618484323 /nfs/dbraw/zinc/48/43/23/618484323.db2.gz UVTCVSUEOBLGAI-SNVBAGLBSA-N 0 0 322.630 3.011 20 10 DGCDRN Cc1nccnc1N(C)C(=O)/C=C/c1cnc(C(C)(C)C)s1 ZINC000893287624 618497125 /nfs/dbraw/zinc/49/71/25/618497125.db2.gz OXJJVVPIWAIEFR-VOTSOKGWSA-N 0 0 316.430 3.215 20 10 DGCDRN C[C@H]1C[C@H]([N@H+](C)Cc2cc(Cl)cc(F)c2[O-])CCN1C ZINC000775717192 618516969 /nfs/dbraw/zinc/51/69/69/618516969.db2.gz NOHBLMFXBGAEGZ-GXFFZTMASA-N 0 0 300.805 3.099 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000895056745 618521377 /nfs/dbraw/zinc/52/13/77/618521377.db2.gz ASXRCOXTMLUZSO-QGZVFWFLSA-N 0 0 323.383 3.452 20 10 DGCDRN CC/C=C(/F)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000866900150 618530465 /nfs/dbraw/zinc/53/04/65/618530465.db2.gz UFYZFFHZITXQQI-ULIPXBITSA-N 0 0 307.365 3.163 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(N)ccn1)c1cccc(C(F)(F)F)c1[O-] ZINC000925767851 618611079 /nfs/dbraw/zinc/61/10/79/618611079.db2.gz QPWIWSYHONUKRR-SECBINFHSA-N 0 0 311.307 3.239 20 10 DGCDRN Cc1cc(CC(=O)NCc2ocnc2C)c(C)n1-c1ccccc1 ZINC000854586136 620820614 /nfs/dbraw/zinc/82/06/14/620820614.db2.gz FUDFAHNRJTXHAB-UHFFFAOYSA-N 0 0 323.396 3.249 20 10 DGCDRN COC1([C@@H](C)[NH2+]Cc2cccc(Br)c2[O-])CCC1 ZINC000840970143 618646589 /nfs/dbraw/zinc/64/65/89/618646589.db2.gz QMAMDQZEBMEPTA-SNVBAGLBSA-N 0 0 314.223 3.202 20 10 DGCDRN COc1cc(C)cc(CNc2cccc3c2OCCO3)c1O ZINC000894137528 618718320 /nfs/dbraw/zinc/71/83/20/618718320.db2.gz CCRMDUNENYQKQU-UHFFFAOYSA-N 0 0 301.342 3.093 20 10 DGCDRN CSCC(C)(C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000894286254 618752388 /nfs/dbraw/zinc/75/23/88/618752388.db2.gz NRYHDRUPECHUEO-LBPRGKRZSA-N 0 0 309.479 3.254 20 10 DGCDRN CSCCCCCNC(=O)NCc1cccc(Cl)c1O ZINC000894286723 618752580 /nfs/dbraw/zinc/75/25/80/618752580.db2.gz FKGUNNXOPUYCJX-UHFFFAOYSA-N 0 0 316.854 3.378 20 10 DGCDRN COc1cccc(NCc2ccc(OC)c(OC)c2O)c1C ZINC000895585365 618802630 /nfs/dbraw/zinc/80/26/30/618802630.db2.gz QOQHUVVDGFQAQR-UHFFFAOYSA-N 0 0 303.358 3.339 20 10 DGCDRN Cc1ccc(CN=[S@@](C)(=O)c2ccc(N(C)C)cc2)c(O)c1 ZINC000895730407 618824477 /nfs/dbraw/zinc/82/44/77/618824477.db2.gz SEGQQHGDFGTDIJ-QFIPXVFZSA-N 0 0 318.442 3.424 20 10 DGCDRN Cc1ccc(C[NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)c(O)c1 ZINC000895799039 618833167 /nfs/dbraw/zinc/83/31/67/618833167.db2.gz GEABNKDBRICBAQ-KRWDZBQOSA-N 0 0 319.445 3.156 20 10 DGCDRN C[C@@]1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CCOC2(CCC2)C1 ZINC000895822026 618836047 /nfs/dbraw/zinc/83/60/47/618836047.db2.gz MFQSHLGVDSJLDR-MRXNPFEDSA-N 0 0 311.372 3.499 20 10 DGCDRN COc1ccc(CN[C@H](CF)c2ccc(F)cc2)c(O)c1OC ZINC000895854789 618842444 /nfs/dbraw/zinc/84/24/44/618842444.db2.gz XEWSZZPHJVFPFM-CQSZACIVSA-N 0 0 323.339 3.349 20 10 DGCDRN CCOC(=O)[C@](C)(NCc1ccc(C)cc1O)c1ccccc1 ZINC000895896682 618847955 /nfs/dbraw/zinc/84/79/55/618847955.db2.gz YVIACDKTFBDTLY-LJQANCHMSA-N 0 0 313.397 3.269 20 10 DGCDRN O=C(NCC[C@@H]1CCCS1)NCc1cccc(Cl)c1O ZINC000896127481 618876508 /nfs/dbraw/zinc/87/65/08/618876508.db2.gz WPONHNANRJUKOR-NSHDSACASA-N 0 0 314.838 3.131 20 10 DGCDRN [O-]c1cccc(F)c1C[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000896636484 618939425 /nfs/dbraw/zinc/93/94/25/618939425.db2.gz DEFFEESUYCFFPD-UHFFFAOYSA-N 0 0 317.389 3.408 20 10 DGCDRN CCOc1ccc(C[NH2+]Cc2c([O-])cccc2F)cc1OC ZINC000896640226 618940024 /nfs/dbraw/zinc/94/00/24/618940024.db2.gz HCGBLELRGMYJBD-UHFFFAOYSA-N 0 0 305.349 3.228 20 10 DGCDRN Cc1cc(C[NH2+]Cc2c([O-])cccc2F)c2c(n1)CCCC2 ZINC000896641735 618940443 /nfs/dbraw/zinc/94/04/43/618940443.db2.gz VMUFXTWNGGJPOJ-UHFFFAOYSA-N 0 0 300.377 3.403 20 10 DGCDRN C[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H](C)S1 ZINC000896701034 618945584 /nfs/dbraw/zinc/94/55/84/618945584.db2.gz MAAMRCBHKDMHSE-IUCAKERBSA-N 0 0 323.439 3.279 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CCCN1CC(F)(F)F ZINC000896841420 618967432 /nfs/dbraw/zinc/96/74/32/618967432.db2.gz YRHYAPABOGDSOK-LLVKDONJSA-N 0 0 322.758 3.162 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000897081074 619012383 /nfs/dbraw/zinc/01/23/83/619012383.db2.gz JHTAVQXNUCXNCD-BZNIZROVSA-N 0 0 313.800 3.480 20 10 DGCDRN COc1ccc(CNc2ccc3c(c2)C[C@H](C)O3)c(O)c1OC ZINC000897110287 619018722 /nfs/dbraw/zinc/01/87/22/619018722.db2.gz RJPIEZZQLWTZNX-NSHDSACASA-N 0 0 315.369 3.345 20 10 DGCDRN CC[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)CC(F)(F)F ZINC000840514877 619037246 /nfs/dbraw/zinc/03/72/46/619037246.db2.gz LXMAOXWXEYMOTI-RWCYGVJQSA-N 0 0 317.307 3.206 20 10 DGCDRN CCC(CC)n1nc(C(=O)NCc2c(O)cccc2F)cc1C ZINC000928708754 619059520 /nfs/dbraw/zinc/05/95/20/619059520.db2.gz SMBOSHWQHJRBQA-UHFFFAOYSA-N 0 0 319.380 3.327 20 10 DGCDRN CCn1cnc2c1CCN(C/C=C\c1ccc(N(C)C)cc1)C2 ZINC000897333650 619061824 /nfs/dbraw/zinc/06/18/24/619061824.db2.gz IZDSMERUIWEAQZ-WAYWQWQTSA-N 0 0 310.445 3.041 20 10 DGCDRN O=C(NOC1CCCCC1)c1cc2cc(O)c(O)cc2s1 ZINC000897455167 619129857 /nfs/dbraw/zinc/12/98/57/619129857.db2.gz LXPPYFLCTFCLDH-UHFFFAOYSA-N 0 0 307.371 3.307 20 10 DGCDRN CCNC(=O)C1(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])CCC1 ZINC000841754094 619156159 /nfs/dbraw/zinc/15/61/59/619156159.db2.gz YUYQXZZYSRLEEP-LLVKDONJSA-N 0 0 310.825 3.003 20 10 DGCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H]1C(F)(F)F ZINC000897796957 619183426 /nfs/dbraw/zinc/18/34/26/619183426.db2.gz IAOZCIUIMKWDFN-LLVKDONJSA-N 0 0 317.288 3.089 20 10 DGCDRN CC[C@@H](C)[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)OC ZINC000897880239 619190638 /nfs/dbraw/zinc/19/06/38/619190638.db2.gz KPKRGSJSBMWFBR-NOZJJQNGSA-N 0 0 323.414 3.103 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H](CCO)C1CCCC1 ZINC000897885316 619191503 /nfs/dbraw/zinc/19/15/03/619191503.db2.gz GLRMNNVGLBJFNM-CQSZACIVSA-N 0 0 301.789 3.216 20 10 DGCDRN C[C@H](Cc1cccnc1)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000897970561 619196227 /nfs/dbraw/zinc/19/62/27/619196227.db2.gz SNUYCFPTYOSAPB-SNVBAGLBSA-N 0 0 321.764 3.070 20 10 DGCDRN COCCOc1ccccc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898218507 619222465 /nfs/dbraw/zinc/22/24/65/619222465.db2.gz IQWSTRPQOPBUEB-UHFFFAOYSA-N 0 0 321.804 3.361 20 10 DGCDRN COc1cccc(C[NH2+][C@@H](C)c2cnn(CC3CCC3)c2)c1O ZINC000898177020 619223144 /nfs/dbraw/zinc/22/31/44/619223144.db2.gz IZZFREMEDFWDNQ-ZDUSSCGKSA-N 0 0 315.417 3.248 20 10 DGCDRN CSCC(C)(C)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000898305770 619235384 /nfs/dbraw/zinc/23/53/84/619235384.db2.gz RCCANOMTGHXCSM-UHFFFAOYSA-N 0 0 304.799 3.185 20 10 DGCDRN O=C(NCC[C@@H]1CCC(F)(F)C1)NCc1c(O)cccc1F ZINC000898491931 619279712 /nfs/dbraw/zinc/27/97/12/619279712.db2.gz VQGXOXJWAACPSI-JTQLQIEISA-N 0 0 316.323 3.156 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCC[C@@H]1CCC(F)(F)C1 ZINC000898511169 619281721 /nfs/dbraw/zinc/28/17/21/619281721.db2.gz AARQHLGXSWKGGU-LBPRGKRZSA-N 0 0 312.360 3.359 20 10 DGCDRN C[C@@H]1CCCC[C@@H]1Cn1cc(COc2ccc(N)cc2)nn1 ZINC000881324886 625332645 /nfs/dbraw/zinc/33/26/45/625332645.db2.gz KZWVOUITNGMTTC-ZIAGYGMSSA-N 0 0 300.406 3.266 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CC=CC[C@H]2C)c1 ZINC000898890964 619297483 /nfs/dbraw/zinc/29/74/83/619297483.db2.gz JZULXJRCIQPJQR-TYNCELHUSA-N 0 0 304.390 3.116 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)C[C@@H]2CCC3(CCC3)CO2)c1 ZINC000899132952 619312918 /nfs/dbraw/zinc/31/29/18/619312918.db2.gz GPWZAVYFNKRFKL-HNNXBMFYSA-N 0 0 303.402 3.056 20 10 DGCDRN CC(C)(CNC(=O)c1ccc(N=NC(N)=O)cc1)CC(F)F ZINC000899203038 619318557 /nfs/dbraw/zinc/31/85/57/619318557.db2.gz DZGVIOQPMNIFAD-UHFFFAOYSA-N 0 0 312.320 3.260 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C/c1ccnn1C1CCC1 ZINC000899342013 619327158 /nfs/dbraw/zinc/32/71/58/619327158.db2.gz OWUGBHBJWJHOLW-SDNWHVSQSA-N 0 0 316.430 3.064 20 10 DGCDRN Cc1csc(C[C@H]2CCCN(C(=O)C3=CC(=O)CS3)C2)n1 ZINC000899538736 619352465 /nfs/dbraw/zinc/35/24/65/619352465.db2.gz ACFQXMBODFZMJO-LLVKDONJSA-N 0 0 322.455 3.314 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)CC(F)(F)C(F)F)cc1 ZINC000900026548 619392270 /nfs/dbraw/zinc/39/22/70/619392270.db2.gz NANVXPJRNHEVAA-UHFFFAOYSA-N 0 0 306.303 3.002 20 10 DGCDRN Oc1cccc(Br)c1CNc1nccnc1C1CC1 ZINC000902166472 619598475 /nfs/dbraw/zinc/59/84/75/619598475.db2.gz MMFLJYVZOGCDNV-UHFFFAOYSA-N 0 0 320.190 3.434 20 10 DGCDRN Cn1nnc(NCc2ccc(N3CCCCC3)cc2)c1C(F)F ZINC000902710993 619664871 /nfs/dbraw/zinc/66/48/71/619664871.db2.gz BLLXOLMPSUAXGY-UHFFFAOYSA-N 0 0 321.375 3.355 20 10 DGCDRN C[C@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CC1)c1ccc(F)cc1[O-] ZINC000903238949 619742148 /nfs/dbraw/zinc/74/21/48/619742148.db2.gz CDYCWWUSRCEWIU-NSHDSACASA-N 0 0 324.396 3.239 20 10 DGCDRN C[C@@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CC1)c1c([O-])cccc1F ZINC000903238108 619742236 /nfs/dbraw/zinc/74/22/36/619742236.db2.gz DWJRNXIRLKEGAJ-LLVKDONJSA-N 0 0 324.396 3.239 20 10 DGCDRN C[C@@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1ccc(F)cc1[O-] ZINC000903240552 619743033 /nfs/dbraw/zinc/74/30/33/619743033.db2.gz UEOYFGODNYMADU-GFCCVEGCSA-N 0 0 303.381 3.379 20 10 DGCDRN C[C@@H](NCc1cn(C)cn1)c1ccc(N2CCCCC2)c(F)c1 ZINC000903351108 619763367 /nfs/dbraw/zinc/76/33/67/619763367.db2.gz HQHYVJMSOOTCRY-CQSZACIVSA-N 0 0 316.424 3.400 20 10 DGCDRN CC[C@@H]([NH2+][C@@H]1CC[C@H](CC(=O)OC)C1)c1ccc(F)cc1[O-] ZINC000903451787 619779042 /nfs/dbraw/zinc/77/90/42/619779042.db2.gz YMCWHMOZAGSJIV-NJZAAPMLSA-N 0 0 309.381 3.304 20 10 DGCDRN C[C@H](NC(=O)[C@]1(C)OCCc2ccccc21)c1ccccc1O ZINC000881440874 625375094 /nfs/dbraw/zinc/37/50/94/625375094.db2.gz PLPWXLFHFMCJHC-ORAYPTAESA-N 0 0 311.381 3.058 20 10 DGCDRN OCC1(C[C@@H](O)CNc2ccccc2OCC2CC2)CCCC1 ZINC000905324913 619987718 /nfs/dbraw/zinc/98/77/18/619987718.db2.gz MWBZBAOFSNVVFP-MRXNPFEDSA-N 0 0 319.445 3.191 20 10 DGCDRN CC(C)COc1ccccc1NC[C@H](O)CCC1(O)CCC1 ZINC000905309671 619989252 /nfs/dbraw/zinc/98/92/52/619989252.db2.gz XAFPPCFQCNDEDA-OAHLLOKOSA-N 0 0 307.434 3.189 20 10 DGCDRN CCc1cc(NCc2cc(Br)cc(F)c2O)no1 ZINC000905412240 619995391 /nfs/dbraw/zinc/99/53/91/619995391.db2.gz SUYHGYBSFULZCS-UHFFFAOYSA-N 0 0 315.142 3.456 20 10 DGCDRN Oc1c(Br)cccc1CNc1nnc(C2CCC2)o1 ZINC000905427833 619998263 /nfs/dbraw/zinc/99/82/63/619998263.db2.gz ZZARNWOCIBZMME-UHFFFAOYSA-N 0 0 324.178 3.417 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H](C)[C@H]2CCCO2)cc1 ZINC000905456188 620001000 /nfs/dbraw/zinc/00/10/00/620001000.db2.gz CVZXARFSYOFUQK-CRAIPNDOSA-N 0 0 318.461 3.306 20 10 DGCDRN CCc1nc[nH]c1C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000905457165 620001204 /nfs/dbraw/zinc/00/12/04/620001204.db2.gz PLSQMRUPCQHKEX-UHFFFAOYSA-N 0 0 314.433 3.091 20 10 DGCDRN Cc1cc(C)c(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)s1 ZINC000907276190 620146408 /nfs/dbraw/zinc/14/64/08/620146408.db2.gz ZZIGVKCGXGYYAP-LLVKDONJSA-N 0 0 319.426 3.066 20 10 DGCDRN CSC1(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC000789212178 625405513 /nfs/dbraw/zinc/40/55/13/625405513.db2.gz FWFAYFWBQFTXKT-ZDUSSCGKSA-N 0 0 321.490 3.399 20 10 DGCDRN CC(C)(C)Oc1cccc(C(=O)NCc2ccc(O)cc2O)c1 ZINC000910955871 620318771 /nfs/dbraw/zinc/31/87/71/620318771.db2.gz HWSGPIPDAMBOKU-UHFFFAOYSA-N 0 0 315.369 3.205 20 10 DGCDRN Cc1cc(C(=O)NCc2ccc(O)cc2O)c(C)n1C(C)C ZINC000910957160 620318926 /nfs/dbraw/zinc/31/89/26/620318926.db2.gz KREQJFCXSGOFGZ-UHFFFAOYSA-N 0 0 302.374 3.027 20 10 DGCDRN CC[C@@H](Cc1cccc(C)c1)C(=O)NCc1ccc(O)cc1O ZINC000910957613 620318941 /nfs/dbraw/zinc/31/89/41/620318941.db2.gz SWSZZOZIRIKSFW-HNNXBMFYSA-N 0 0 313.397 3.291 20 10 DGCDRN CCc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1ccc(O)cc1O ZINC000910946963 620319971 /nfs/dbraw/zinc/31/99/71/620319971.db2.gz XGWVBZISZVTDCH-DLBZAZTESA-N 0 0 311.381 3.080 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)N2CCc3ccccc3C2)cc1 ZINC000150732624 620388179 /nfs/dbraw/zinc/38/81/79/620388179.db2.gz HNNJPTZEDJDRSP-UHFFFAOYSA-N 0 0 324.424 3.106 20 10 DGCDRN O=C(/C=C\c1cnc2ccccc2n1)N1CCc2ccccc21 ZINC000912652014 620399615 /nfs/dbraw/zinc/39/96/15/620399615.db2.gz NSLDNOMZDAOIQK-KTKRTIGZSA-N 0 0 301.349 3.232 20 10 DGCDRN COc1ccc(N(Cc2cnn(C)c2)Cc2ccco2)cc1F ZINC000150863439 620401318 /nfs/dbraw/zinc/40/13/18/620401318.db2.gz IZGMJZVFYIRNRW-UHFFFAOYSA-N 0 0 315.348 3.368 20 10 DGCDRN O=C1NC(=S)S/C1=C/c1ccc(F)cc1C(F)(F)F ZINC000151359342 620443267 /nfs/dbraw/zinc/44/32/67/620443267.db2.gz PNZRBHWENXLRPE-FPYGCLRLSA-N 0 0 307.293 3.333 20 10 DGCDRN Cc1ccc(C2=NO[C@H](C(=O)N[C@@H](C)c3ccccc3O)C2)cc1 ZINC000913763404 620477995 /nfs/dbraw/zinc/47/79/95/620477995.db2.gz FSHYEKGHAIKVFV-UGSOOPFHSA-N 0 0 324.380 3.071 20 10 DGCDRN COc1cccc(CNC(=O)NCC(C)(C)C2CCCC2)c1O ZINC000152024213 620488205 /nfs/dbraw/zinc/48/82/05/620488205.db2.gz GBEMUDAQUXYCHO-UHFFFAOYSA-N 0 0 320.433 3.416 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N(C)Cc2cccc(F)c2)cc1 ZINC000031726255 620528646 /nfs/dbraw/zinc/52/86/46/620528646.db2.gz NXCUWCMUVOMBLM-UHFFFAOYSA-N 0 0 315.392 3.233 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)COc2ccccc2)C2CC2)cc1 ZINC000914436911 620535632 /nfs/dbraw/zinc/53/56/32/620535632.db2.gz DMLDJMDURDOCGU-UHFFFAOYSA-N 0 0 324.424 3.323 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OCCC(C)(C)O ZINC000765459515 620592783 /nfs/dbraw/zinc/59/27/83/620592783.db2.gz LTHXZDTZUREFAL-UHFFFAOYSA-N 0 0 307.415 3.473 20 10 DGCDRN CCN1C(=O)/C(=C\c2ccc3ncccc3c2)SC1=S ZINC000916134665 620619021 /nfs/dbraw/zinc/61/90/21/620619021.db2.gz MOMRNNJARUZGDG-UKTHLTGXSA-N 0 0 300.408 3.456 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000852564787 620629999 /nfs/dbraw/zinc/62/99/99/620629999.db2.gz SFTSZFFAZYCPDZ-XYJFISCASA-N 0 0 315.461 3.330 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)NCCCCOC)cc1 ZINC000916504222 620632568 /nfs/dbraw/zinc/63/25/68/620632568.db2.gz GSJGMBYQWXCMIG-UHFFFAOYSA-N 0 0 321.465 3.101 20 10 DGCDRN CC[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)C1CC1 ZINC000852595713 620632958 /nfs/dbraw/zinc/63/29/58/620632958.db2.gz UHUSQPAKTSNMIJ-INIZCTEOSA-N 0 0 302.418 3.259 20 10 DGCDRN CCC/C(C)=C/C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000920882527 620826658 /nfs/dbraw/zinc/82/66/58/620826658.db2.gz RRIOTQOUASBWGW-IYOXOMEYSA-N 0 0 316.445 3.447 20 10 DGCDRN Cc1cc(C(=O)NCC2CSC2)c(C)n1-c1ccccc1C ZINC000854873978 620847610 /nfs/dbraw/zinc/84/76/10/620847610.db2.gz PRGXLAVSJUXXAM-UHFFFAOYSA-N 0 0 314.454 3.495 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)c3csc(C)c3)C2)cc1 ZINC000855223204 620881650 /nfs/dbraw/zinc/88/16/50/620881650.db2.gz CLNKUFPZABJVQT-AWEZNQCLSA-N 0 0 316.426 3.074 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)[C@H](C)CC(C)(C)C)C2)cc1 ZINC000855225971 620881994 /nfs/dbraw/zinc/88/19/94/620881994.db2.gz MMCMGSPPHYXBAE-CABCVRRESA-N 0 0 318.461 3.462 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)C(C)(C)C)C2)cc1 ZINC000855232903 620882119 /nfs/dbraw/zinc/88/21/19/620882119.db2.gz ZKXIFJNRDQSQSX-KGLIPLIRSA-N 0 0 304.434 3.072 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)[C@H](C)C(C)(C)C)C2)cc1 ZINC000855232902 620882142 /nfs/dbraw/zinc/88/21/42/620882142.db2.gz ZKXIFJNRDQSQSX-KBPBESRZSA-N 0 0 304.434 3.072 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)C3(C)CCCCC3)C2)cc1 ZINC000855227994 620882155 /nfs/dbraw/zinc/88/21/55/620882155.db2.gz SSRKXJRNFWITHO-OAHLLOKOSA-N 0 0 316.445 3.361 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)c3ccccc3)C2)cc1 ZINC000855228081 620882279 /nfs/dbraw/zinc/88/22/79/620882279.db2.gz UXEFZUNJYUBXJQ-RDJZCZTQSA-N 0 0 324.424 3.194 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCC[C@H](C)C3)C2)cc1 ZINC000855230690 620882326 /nfs/dbraw/zinc/88/23/26/620882326.db2.gz HXMLKHUMAJLPFP-XHSDSOJGSA-N 0 0 316.445 3.216 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCC[C@@H](C)C3)C2)cc1 ZINC000855230689 620882352 /nfs/dbraw/zinc/88/23/52/620882352.db2.gz HXMLKHUMAJLPFP-PMPSAXMXSA-N 0 0 316.445 3.216 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)/C=C3\CC[C@H](C)C3)C2)cc1 ZINC000855233610 620882472 /nfs/dbraw/zinc/88/24/72/620882472.db2.gz JAJPQWCZCVUXFT-NEWSFODOSA-N 0 0 314.429 3.137 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)c3ccc(C)cc3)C2)cc1 ZINC000855234512 620882788 /nfs/dbraw/zinc/88/27/88/620882788.db2.gz CBBWFKKGVIRDIY-INIZCTEOSA-N 0 0 310.397 3.012 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(C)c(C)c3)C2)cc1 ZINC000855234619 620882799 /nfs/dbraw/zinc/88/27/99/620882799.db2.gz HESCLHZYKLJWCA-QGZVFWFLSA-N 0 0 324.424 3.321 20 10 DGCDRN CCC(=CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)CC ZINC000855234090 620882932 /nfs/dbraw/zinc/88/29/32/620882932.db2.gz RZEMNNYXRLCYHG-HNNXBMFYSA-N 0 0 302.418 3.137 20 10 DGCDRN O=C(Nc1ccc2c(c1)[C@H](O)CCCC2)C1=CC(=O)CS1 ZINC000855546495 620911291 /nfs/dbraw/zinc/91/12/91/620911291.db2.gz RPCNXILVOCMPNB-CQSZACIVSA-N 0 0 303.383 3.466 20 10 DGCDRN Cc1nn(C)c(CNCc2ccc3c(c2)CCCN3C)c1Cl ZINC000921626010 620917750 /nfs/dbraw/zinc/91/77/50/620917750.db2.gz VTXSWTAFKHVIGB-UHFFFAOYSA-N 0 0 318.852 3.054 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)S3)cc1 ZINC000888371281 620923836 /nfs/dbraw/zinc/92/38/36/620923836.db2.gz KKMMKANDLSJPIB-YHWZYXNKSA-N 0 0 318.402 3.005 20 10 DGCDRN COC(=O)[C@H](N[C@H](C)c1cc(OC)ccc1O)c1ccsc1 ZINC000789301081 625450430 /nfs/dbraw/zinc/45/04/30/625450430.db2.gz XQTAFSJHNASZMO-MEBBXXQBSA-N 0 0 321.398 3.027 20 10 DGCDRN COC(=O)[C@H](N[C@@H](C)c1cc(OC)ccc1O)c1ccsc1 ZINC000789301083 625450563 /nfs/dbraw/zinc/45/05/63/625450563.db2.gz XQTAFSJHNASZMO-ZUZCIYMTSA-N 0 0 321.398 3.027 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CCCO1)c1cc(Br)c(F)cc1[O-] ZINC000756354390 620959907 /nfs/dbraw/zinc/95/99/07/620959907.db2.gz AAWFCEJQEUXFDM-IUCAKERBSA-N 0 0 318.186 3.123 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N(CCC1CC1)CC1CC1 ZINC000856283810 620980305 /nfs/dbraw/zinc/98/03/05/620980305.db2.gz PHJHZAHRWAANLP-VURMDHGXSA-N 0 0 301.386 3.150 20 10 DGCDRN CC[C@@H](C)c1nnc([C@H](C)NCc2ccc3c(c2)CCCO3)[nH]1 ZINC000922053344 620984030 /nfs/dbraw/zinc/98/40/30/620984030.db2.gz GJXNAAJGBVLXCE-OLZOCXBDSA-N 0 0 314.433 3.494 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC2CC1(c1ccccc1)C2 ZINC000856439659 620994892 /nfs/dbraw/zinc/99/48/92/620994892.db2.gz CESAJTZADIALDR-VQHVLOKHSA-N 0 0 321.376 3.259 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2cc(Cl)ccc2F)c1 ZINC000114542180 621009164 /nfs/dbraw/zinc/00/91/64/621009164.db2.gz TZOIEFLWYLCLBW-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2cc(C)n(C(C)C)c2C)c1 ZINC000114541730 621009250 /nfs/dbraw/zinc/00/92/50/621009250.db2.gz WNFOHTOQIFVBKF-UHFFFAOYSA-N 0 0 316.401 3.330 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)c1 ZINC000114543167 621009259 /nfs/dbraw/zinc/00/92/59/621009259.db2.gz BNCLCGOSMFDWKZ-GOEBONIOSA-N 0 0 303.402 3.255 20 10 DGCDRN COc1ccc(O)c(CNC(=O)CCc2cccc(Cl)c2)c1 ZINC000114541164 621009299 /nfs/dbraw/zinc/00/92/99/621009299.db2.gz ZYTXFIGJPMPYGC-UHFFFAOYSA-N 0 0 319.788 3.303 20 10 DGCDRN COc1ccc(N2CCN(Cc3cncc(Cl)c3)CC2)cc1 ZINC000856716978 621009822 /nfs/dbraw/zinc/00/98/22/621009822.db2.gz BODHMSGKDTUWKD-UHFFFAOYSA-N 0 0 317.820 3.066 20 10 DGCDRN COc1cc(N(C)Cc2ccnc(C)c2)cc(OC)c1OC ZINC000856726295 621011841 /nfs/dbraw/zinc/01/18/41/621011841.db2.gz BGJLQBWLHUEISK-UHFFFAOYSA-N 0 0 302.374 3.052 20 10 DGCDRN O=C(NCc1c(O)cccc1F)NC[C@H]1CCCC(F)(F)C1 ZINC000922354139 621028613 /nfs/dbraw/zinc/02/86/13/621028613.db2.gz FWBYRNHVZZLBGL-JTQLQIEISA-N 0 0 316.323 3.156 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCC[C@H]1CC1(Cl)Cl ZINC000856948572 621037840 /nfs/dbraw/zinc/03/78/40/621037840.db2.gz RJXMPLIWBAKCNN-NSHDSACASA-N 0 0 317.216 3.118 20 10 DGCDRN CCOc1ccc(CN[C@H]2c3ccccc3OC[C@H]2F)c(O)c1 ZINC000922524515 621050943 /nfs/dbraw/zinc/05/09/43/621050943.db2.gz DPKMYQFECDRNKW-QAPCUYQASA-N 0 0 317.360 3.352 20 10 DGCDRN COC(C)(C)[C@@H](C)[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000922582047 621061241 /nfs/dbraw/zinc/06/12/41/621061241.db2.gz RWRBNVSQOLGSIC-SNVBAGLBSA-N 0 0 316.239 3.366 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cc(OC)ns1 ZINC000857244847 621073043 /nfs/dbraw/zinc/07/30/43/621073043.db2.gz ISPHFVGVLSIOMO-UHFFFAOYSA-N 0 0 320.414 3.300 20 10 DGCDRN Cc1cnc(CNCc2cc(F)c(N(C)C)cc2F)c(C)c1 ZINC000922737607 621090664 /nfs/dbraw/zinc/09/06/64/621090664.db2.gz OSWFBVAKRWSKMG-UHFFFAOYSA-N 0 0 305.372 3.332 20 10 DGCDRN CCN(Cc1nccc(OC)c1OC)c1ccc(OC)cc1 ZINC000789341390 625463276 /nfs/dbraw/zinc/46/32/76/625463276.db2.gz IBYXECLUKASRKW-UHFFFAOYSA-N 0 0 302.374 3.134 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)Oc1ccccc1 ZINC000115281556 621094431 /nfs/dbraw/zinc/09/44/31/621094431.db2.gz LQTHUYCEIPVBER-OAHLLOKOSA-N 0 0 312.413 3.145 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(N(C)C)c1 ZINC000115281199 621094543 /nfs/dbraw/zinc/09/45/43/621094543.db2.gz XBTRWWRLEPTCRL-UHFFFAOYSA-N 0 0 311.429 3.057 20 10 DGCDRN C[C@@H](N[C@H]1c2ccccc2CN(C)C1=O)c1ccc(N(C)C)cc1 ZINC000857874306 621126428 /nfs/dbraw/zinc/12/64/28/621126428.db2.gz OECSNBHJEDJCEJ-KUHUBIRLSA-N 0 0 323.440 3.117 20 10 DGCDRN CN(C)c1cc(F)c(CNCc2cccc3c2OCC3)cc1F ZINC000922942324 621134111 /nfs/dbraw/zinc/13/41/11/621134111.db2.gz UDKBXQHPIMLMML-UHFFFAOYSA-N 0 0 318.367 3.256 20 10 DGCDRN C[C@@]1(CCNC(=O)NCc2c(O)cccc2F)C[C@]1(F)Cl ZINC000923067273 621154163 /nfs/dbraw/zinc/15/41/63/621154163.db2.gz UNZIXCCVBFAOHI-ZIAGYGMSSA-N 0 0 318.751 3.035 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H](C)Cc2cccs2)c1 ZINC000858135402 621156279 /nfs/dbraw/zinc/15/62/79/621156279.db2.gz UBUVRTGEKGJXPV-GFCCVEGCSA-N 0 0 304.415 3.193 20 10 DGCDRN CN(C)c1cc(F)c(CNCc2ccc(O)c(F)c2)cc1F ZINC000858143790 621157335 /nfs/dbraw/zinc/15/73/35/621157335.db2.gz WKWIUCZLBOCDIR-UHFFFAOYSA-N 0 0 310.319 3.165 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)c1 ZINC000858162196 621160172 /nfs/dbraw/zinc/16/01/72/621160172.db2.gz RTYOMQXJFXYNCM-HZPDHXFCSA-N 0 0 314.360 3.195 20 10 DGCDRN COCC1(CC[NH2+]Cc2c(O)cccc2Br)CC1 ZINC000858181921 621162178 /nfs/dbraw/zinc/16/21/78/621162178.db2.gz ANSNVEVMMJTZMG-UHFFFAOYSA-N 0 0 314.223 3.061 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)cc1 ZINC000858199936 621164345 /nfs/dbraw/zinc/16/43/45/621164345.db2.gz UWVGSGISPNPMIB-XUVXKRRUSA-N 0 0 320.436 3.297 20 10 DGCDRN CC(C)CC[C@@H](CO)[NH2+]Cc1cccc(Br)c1[O-] ZINC000858241286 621167230 /nfs/dbraw/zinc/16/72/30/621167230.db2.gz NZNJAHVLIQQNAU-LBPRGKRZSA-N 0 0 316.239 3.041 20 10 DGCDRN COc1cccc(NCc2ccc(N3CCOCC3)cc2)c1C ZINC000858240366 621167370 /nfs/dbraw/zinc/16/73/70/621167370.db2.gz JSAYBFZRLTVUEU-UHFFFAOYSA-N 0 0 312.413 3.452 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@]2(C)c2ccccc2)c1 ZINC000858248183 621168182 /nfs/dbraw/zinc/16/81/82/621168182.db2.gz UADQWZCMCUTUKU-IEBWSBKVSA-N 0 0 310.397 3.230 20 10 DGCDRN COc1nccnc1CNCc1cc(C)n(-c2ccccc2)c1C ZINC000858294911 621172405 /nfs/dbraw/zinc/17/24/05/621172405.db2.gz QYMRKTOEMAIALO-UHFFFAOYSA-N 0 0 322.412 3.183 20 10 DGCDRN Cc1cc(CNC(=O)NCCCF)c(C)n1-c1ccccc1 ZINC000858304774 621173348 /nfs/dbraw/zinc/17/33/48/621173348.db2.gz IOWNMGVLBAJZQP-UHFFFAOYSA-N 0 0 303.381 3.253 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c1 ZINC000858305210 621173912 /nfs/dbraw/zinc/17/39/12/621173912.db2.gz SJLMZIRLHLUTOP-SCTDSRPQSA-N 0 0 322.408 3.086 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2CCCO[C@@H]2CC(C)C)c1 ZINC000858373118 621182336 /nfs/dbraw/zinc/18/23/36/621182336.db2.gz YSVLIROVKIFPOJ-DOTOQJQBSA-N 0 0 320.433 3.094 20 10 DGCDRN Cc1cc(CNC(=O)NOCC(F)F)c(C)n1-c1ccccc1 ZINC000858411584 621187204 /nfs/dbraw/zinc/18/72/04/621187204.db2.gz OSNHHJVFFXKOCI-UHFFFAOYSA-N 0 0 323.343 3.090 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H]2CCCC(F)(F)C2)c1 ZINC000858425716 621189185 /nfs/dbraw/zinc/18/91/85/621189185.db2.gz JSSNITICMSGWKH-GFCCVEGCSA-N 0 0 312.360 3.325 20 10 DGCDRN CCC[C@H](C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-])OCC ZINC000858450690 621193084 /nfs/dbraw/zinc/19/30/84/621193084.db2.gz HOISJGDTOXDDGY-GXTWGEPZSA-N 0 0 309.406 3.035 20 10 DGCDRN COCC1(CNC(=O)NCc2cc(C)ccc2O)CCCCC1 ZINC000858472881 621195310 /nfs/dbraw/zinc/19/53/10/621195310.db2.gz JZPUWCCFINZSTC-UHFFFAOYSA-N 0 0 320.433 3.097 20 10 DGCDRN CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000858508359 621200291 /nfs/dbraw/zinc/20/02/91/621200291.db2.gz MYYYXYHXWLLBBS-GXFFZTMASA-N 0 0 309.793 3.348 20 10 DGCDRN CC[C@H]([NH2+][C@H]1Cc2ccccc2NC1=O)c1ccc(N(C)C)cc1 ZINC000858526938 621201465 /nfs/dbraw/zinc/20/14/65/621201465.db2.gz BPYYMFLKUOGGQX-HKUYNNGSSA-N 0 0 323.440 3.357 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CC(C(C)(C)C)C2)cc1F ZINC000838029781 621203063 /nfs/dbraw/zinc/20/30/63/621203063.db2.gz QTWLPCHFRBKFMK-UHFFFAOYSA-N 0 0 307.413 3.079 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc[nH]c1=O)c1cccc(C(F)(F)F)c1[O-] ZINC000858562603 621204825 /nfs/dbraw/zinc/20/48/25/621204825.db2.gz FMUASCMVMRNBML-VIFPVBQESA-N 0 0 312.291 3.362 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1cccc(Cl)c1[O-] ZINC000858602855 621208910 /nfs/dbraw/zinc/20/89/10/621208910.db2.gz KFHLDLCKZWWOCD-LSDHHAIUSA-N 0 0 322.836 3.240 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc1 ZINC000858605352 621209360 /nfs/dbraw/zinc/20/93/60/621209360.db2.gz RTSJRAJLGZDTFM-LLDVTBCESA-N 0 0 318.461 3.209 20 10 DGCDRN CCO[C@@H](C(=O)NCc1ccc(N(CC)CC)cc1)C(C)C ZINC000858605405 621209387 /nfs/dbraw/zinc/20/93/87/621209387.db2.gz SREVDAGUKFCTKA-QGZVFWFLSA-N 0 0 306.450 3.210 20 10 DGCDRN COc1ccc(N2CC[C@H](Nc3nc(Cl)cs3)C2)cc1 ZINC000858621180 621210473 /nfs/dbraw/zinc/21/04/73/621210473.db2.gz NTEZGSCOUHNEPX-JTQLQIEISA-N 0 0 309.822 3.496 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC1CCC(C(F)F)CC1 ZINC000838103661 621210765 /nfs/dbraw/zinc/21/07/65/621210765.db2.gz RYUOGXLNVZGBDB-KRXBUXKQSA-N 0 0 311.328 3.051 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000858827081 621223346 /nfs/dbraw/zinc/22/33/46/621223346.db2.gz VFOGPUOEVNCGNV-KRXQYRFLSA-N 0 0 318.461 3.161 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)c1ccns1 ZINC000858961965 621234872 /nfs/dbraw/zinc/23/48/72/621234872.db2.gz JHJYOKVKFJTQJR-LBPRGKRZSA-N 0 0 318.446 3.078 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CCCC23CC3)c1 ZINC000859017076 621240056 /nfs/dbraw/zinc/24/00/56/621240056.db2.gz YSPBCUOXTSEDSP-QWHCGFSZSA-N 0 0 318.417 3.341 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC[C@H](C)C2)cc1 ZINC000859048461 621242746 /nfs/dbraw/zinc/24/27/46/621242746.db2.gz KGMRSDRYPSZOMB-AWEZNQCLSA-N 0 0 324.424 3.318 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@H](C)[C@@H]2C)cc1F ZINC000838392318 621244478 /nfs/dbraw/zinc/24/44/78/621244478.db2.gz SWFFVXYYKUMDHJ-STQMWFEESA-N 0 0 307.413 3.222 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000838478919 621258846 /nfs/dbraw/zinc/25/88/46/621258846.db2.gz NOAUBGKNMGBAHJ-XOKHGSTOSA-N 0 0 301.434 3.049 20 10 DGCDRN CC(C)O[C@H]1C[C@@H](NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000838559112 621263005 /nfs/dbraw/zinc/26/30/05/621263005.db2.gz KCUIDYXADAXMDZ-JLJPHGGASA-N 0 0 319.449 3.069 20 10 DGCDRN CC(C)c1nocc1C(=O)NCCCSc1nccs1 ZINC000859351925 621271542 /nfs/dbraw/zinc/27/15/42/621271542.db2.gz JYGASJJXHFDSQK-UHFFFAOYSA-N 0 0 311.432 3.167 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2C[C@@H](C)C(F)(F)[C@H](C)C2)c1O ZINC000859411807 621275390 /nfs/dbraw/zinc/27/53/90/621275390.db2.gz NHERVUJFKZDDMG-NXEZZACHSA-N 0 0 315.335 3.457 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CC(C)(C)OC1(C)C ZINC000859420991 621276422 /nfs/dbraw/zinc/27/64/22/621276422.db2.gz HARJZGZCTOWUBM-MRXNPFEDSA-N 0 0 318.461 3.271 20 10 DGCDRN CCOC1(C)CN(Cc2cc(C)cc(Br)c2O)C1 ZINC000839143171 621340886 /nfs/dbraw/zinc/34/08/86/621340886.db2.gz NHNHEIFYJKGZKH-UHFFFAOYSA-N 0 0 314.223 3.074 20 10 DGCDRN COC1CCC([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000839171413 621342568 /nfs/dbraw/zinc/34/25/68/621342568.db2.gz FADCJMMYXFZYMX-UHFFFAOYSA-N 0 0 314.769 3.001 20 10 DGCDRN C[C@@H](C[N@H+](C)Cc1cccc(Cl)c1[O-])C(=O)OC(C)(C)C ZINC000839192538 621347454 /nfs/dbraw/zinc/34/74/54/621347454.db2.gz KAMFJSMJOOAKNZ-NSHDSACASA-N 0 0 313.825 3.455 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H](C)c2ccn(C)n2)c1 ZINC000839193162 621347792 /nfs/dbraw/zinc/34/77/92/621347792.db2.gz ZCYLQKBDLPWABS-SNVBAGLBSA-N 0 0 324.222 3.047 20 10 DGCDRN C/C(=C\C(=O)N1CCCc2c(C)ccc(F)c21)c1cnccn1 ZINC000839281953 621354456 /nfs/dbraw/zinc/35/44/56/621354456.db2.gz GTEDPWMTPXMWKN-JLHYYAGUSA-N 0 0 311.360 3.307 20 10 DGCDRN CCC[C@@H](C)NC(=O)NCc1cc(Br)ccc1O ZINC000804871621 621384967 /nfs/dbraw/zinc/38/49/67/621384967.db2.gz OTPNIOJRZDIUDF-SECBINFHSA-N 0 0 315.211 3.143 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@@H](C)C(F)(F)F)c1 ZINC000860242078 621385922 /nfs/dbraw/zinc/38/59/22/621385922.db2.gz OWMLQHKWIVYRCB-BDAKNGLRSA-N 0 0 305.296 3.167 20 10 DGCDRN CO[C@H]1CCN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C1 ZINC000752476165 621394608 /nfs/dbraw/zinc/39/46/08/621394608.db2.gz MHAQKUOPMGOQBR-INIZCTEOSA-N 0 0 312.413 3.263 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000753574058 621450071 /nfs/dbraw/zinc/45/00/71/621450071.db2.gz APYKVVSGGNRARY-LBPRGKRZSA-N 0 0 313.800 3.433 20 10 DGCDRN CCc1ccc(CN(C)c2ccc(OCC(=O)OC)cc2)o1 ZINC000753592450 621452327 /nfs/dbraw/zinc/45/23/27/621452327.db2.gz YMLYWAKSSZOQJJ-UHFFFAOYSA-N 0 0 303.358 3.030 20 10 DGCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000753592355 621452437 /nfs/dbraw/zinc/45/24/37/621452437.db2.gz SELVYLFTDJPXBK-HNNXBMFYSA-N 0 0 305.324 3.324 20 10 DGCDRN CCc1[nH]nc(Cl)c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000860950068 621461512 /nfs/dbraw/zinc/46/15/12/621461512.db2.gz HJPXZFPNTCPQFK-JTQLQIEISA-N 0 0 320.824 3.183 20 10 DGCDRN CCN(C(=O)/C=C/c1ccc(C)nc1)c1ccccc1C(=O)OC ZINC000754273774 621500138 /nfs/dbraw/zinc/50/01/38/621500138.db2.gz DAMFLLUEQRROIH-VAWYXSNFSA-N 0 0 324.380 3.243 20 10 DGCDRN Cc1cc(CNC(=O)NCc2ccccc2O)ccc1Cl ZINC000754322500 621502947 /nfs/dbraw/zinc/50/29/47/621502947.db2.gz FXPSISQSMGGPOE-UHFFFAOYSA-N 0 0 304.777 3.353 20 10 DGCDRN COc1cc(C)cc(CN2CCc3ccc([N+](=O)[O-])cc32)c1O ZINC000754723751 621528125 /nfs/dbraw/zinc/52/81/25/621528125.db2.gz UFTZQMJJCYABIZ-UHFFFAOYSA-N 0 0 314.341 3.180 20 10 DGCDRN COc1cc(CN2CC[NH+](C(C)C)CC2)c(O)c(C(C)(C)C)c1 ZINC000754723525 621528130 /nfs/dbraw/zinc/52/81/30/621528130.db2.gz OGOBNMOTZNBCHI-UHFFFAOYSA-N 0 0 320.477 3.224 20 10 DGCDRN COc1cc(CN(C)Cc2cc[nH]n2)c(O)c(C(C)(C)C)c1 ZINC000754726281 621528302 /nfs/dbraw/zinc/52/83/02/621528302.db2.gz NDBGEAMZFHHARH-UHFFFAOYSA-N 0 0 303.406 3.053 20 10 DGCDRN CSc1cc(O)ccc1NC(=O)c1ccc(C)c(O)c1O ZINC000754732853 621528973 /nfs/dbraw/zinc/52/89/73/621528973.db2.gz TUZNBAJCULARPY-UHFFFAOYSA-N 0 0 305.355 3.086 20 10 DGCDRN Nc1ccc(CCNC(=O)N[C@H](c2ccccn2)C2CCC2)cc1 ZINC000861639761 621530789 /nfs/dbraw/zinc/53/07/89/621530789.db2.gz GWSIGAVPDGHSPA-SFHVURJKSA-N 0 0 324.428 3.047 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCS[C@@H](C)[C@H]1C ZINC000118581819 621539665 /nfs/dbraw/zinc/53/96/65/621539665.db2.gz QUOVEJMMOPHHDO-KGLIPLIRSA-N 0 0 321.490 3.096 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000862130041 621557075 /nfs/dbraw/zinc/55/70/75/621557075.db2.gz ACQFUJGVOCNPCN-USXIJHARSA-N 0 0 313.784 3.248 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H]2C=CCC2)cc1 ZINC000862172711 621560112 /nfs/dbraw/zinc/56/01/12/621560112.db2.gz GTGWSXWDNBUBBZ-GOSISDBHSA-N 0 0 322.408 3.284 20 10 DGCDRN CN(C)c1cc(F)c(CN2CCO[C@](C)(C3CC3)C2)cc1F ZINC000862409517 621585960 /nfs/dbraw/zinc/58/59/60/621585960.db2.gz UQBRCLJBJKCALR-KRWDZBQOSA-N 0 0 310.388 3.032 20 10 DGCDRN CC1=C(C(=O)NCc2ccc(N3CCCCC3)cc2)CCCO1 ZINC000755703030 621586792 /nfs/dbraw/zinc/58/67/92/621586792.db2.gz DRYXUQSAYGVMSB-UHFFFAOYSA-N 0 0 314.429 3.378 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCS[C@H](C)CC1 ZINC000755719550 621587933 /nfs/dbraw/zinc/58/79/33/621587933.db2.gz JOXKVZAESODNGX-CQSZACIVSA-N 0 0 321.490 3.098 20 10 DGCDRN Oc1ccc(F)cc1CN[C@@H](c1nccs1)C(F)(F)F ZINC000862431297 621588697 /nfs/dbraw/zinc/58/86/97/621588697.db2.gz HEYFNPZUILBEAS-JTQLQIEISA-N 0 0 306.284 3.381 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000862435957 621589110 /nfs/dbraw/zinc/58/91/10/621589110.db2.gz RCLJYTVDJZRTBM-HNNXBMFYSA-N 0 0 303.789 3.277 20 10 DGCDRN O=C(CCCc1ccc(F)c(F)c1)NCc1ccccc1O ZINC000755768564 621592074 /nfs/dbraw/zinc/59/20/74/621592074.db2.gz OLAZCPWFJCNBPZ-UHFFFAOYSA-N 0 0 305.324 3.310 20 10 DGCDRN CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000862529824 621597500 /nfs/dbraw/zinc/59/75/00/621597500.db2.gz OQIFYFDXMOCNMO-DOJOMBEPSA-N 0 0 323.392 3.419 20 10 DGCDRN COCCOCc1ccc(NCc2cc(OC)ccc2O)cc1 ZINC000862532103 621597774 /nfs/dbraw/zinc/59/77/74/621597774.db2.gz PXLATSJHPYPDSI-UHFFFAOYSA-N 0 0 317.385 3.176 20 10 DGCDRN COc1ccc(-n2c(C)cc(C(=O)N3C[C@@H]4C[C@@H]4C3)c2C)cc1 ZINC000862550369 621600921 /nfs/dbraw/zinc/60/09/21/621600921.db2.gz JZUVHMWESIPTBO-GASCZTMLSA-N 0 0 310.397 3.195 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2COc3cc(C)c(C)cc32)c1 ZINC000862757189 621613811 /nfs/dbraw/zinc/61/38/11/621613811.db2.gz KQGJQOLWJIZLKH-INIZCTEOSA-N 0 0 311.381 3.110 20 10 DGCDRN COc1cccc(C2(C(=O)NCc3cc(C)ccc3O)CC2)c1 ZINC000862756236 621613917 /nfs/dbraw/zinc/61/39/17/621613917.db2.gz UJWRAQAMXXMHGF-UHFFFAOYSA-N 0 0 311.381 3.057 20 10 DGCDRN COc1ccc(CCC(=O)NCc2cc(C)ccc2O)cc1F ZINC000862759505 621614254 /nfs/dbraw/zinc/61/42/54/621614254.db2.gz GTYRGHLHCNXJOA-UHFFFAOYSA-N 0 0 317.360 3.097 20 10 DGCDRN CC[C@@H](C)n1nc(C(=O)NCc2cc(C)ccc2O)cc1C ZINC000862757562 621614421 /nfs/dbraw/zinc/61/44/21/621614421.db2.gz YQZMVLUWALYZES-GFCCVEGCSA-N 0 0 301.390 3.107 20 10 DGCDRN Cc1cccc(OCCCC(=O)NCc2cc(C)ccc2O)c1 ZINC000862761126 621614837 /nfs/dbraw/zinc/61/48/37/621614837.db2.gz FNHPEADKHWVTCX-UHFFFAOYSA-N 0 0 313.397 3.484 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)C[C@H](C)C(=O)c2ccccc2)c1 ZINC000862760276 621614858 /nfs/dbraw/zinc/61/48/58/621614858.db2.gz OYOOKMUGBHYQAX-AWEZNQCLSA-N 0 0 311.381 3.226 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[C@@H]2C)cc1F ZINC000805094031 621615409 /nfs/dbraw/zinc/61/54/09/621615409.db2.gz GKAAJAYKXUDWDG-SWLSCSKDSA-N 0 0 307.413 3.270 20 10 DGCDRN COC(=O)[C@H](CC1CCCCC1)NCc1cccc(OC)c1O ZINC000756145622 621618401 /nfs/dbraw/zinc/61/84/01/621618401.db2.gz CFYBSMRCMIXVMF-HNNXBMFYSA-N 0 0 321.417 3.002 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1COc2ccccc2O1)c1cc(F)cc(F)c1[O-] ZINC000756352496 621630211 /nfs/dbraw/zinc/63/02/11/621630211.db2.gz TYYXZCAGDJMADZ-PWSUYJOCSA-N 0 0 321.323 3.161 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1cc(F)cc(F)c1[O-] ZINC000756378876 621633151 /nfs/dbraw/zinc/63/31/51/621633151.db2.gz JFSOPXCLUUXPPL-ZWNOBZJWSA-N 0 0 305.324 3.325 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1cc(F)cc(F)c1[O-] ZINC000756382912 621633422 /nfs/dbraw/zinc/63/34/22/621633422.db2.gz GTARAGMUOIZKLS-BJOHPYRUSA-N 0 0 311.303 3.194 20 10 DGCDRN CN(C)c1ccc(C[NH2+][C@@H](C(=O)[O-])C2(C)CCCCC2)cc1 ZINC000756384441 621633870 /nfs/dbraw/zinc/63/38/70/621633870.db2.gz PJRMDKASJFTCBJ-INIZCTEOSA-N 0 0 304.434 3.266 20 10 DGCDRN Cc1cc(C)cc([C@H]([NH2+]Cc2ccc(N(C)C)cc2)C(=O)[O-])c1 ZINC000756389651 621634394 /nfs/dbraw/zinc/63/43/94/621634394.db2.gz QUYVJFJFNLGNMC-SFHVURJKSA-N 0 0 312.413 3.285 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@@]2(C)C(=O)[O-])cc1F ZINC000756390280 621634634 /nfs/dbraw/zinc/63/46/34/621634634.db2.gz TZPAZKZSFXQVBE-SJLPKXTDSA-N 0 0 322.424 3.405 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1cc(F)cc(F)c1[O-] ZINC000756393095 621634820 /nfs/dbraw/zinc/63/48/20/621634820.db2.gz PXRWSTSOQVWJKC-VIFPVBQESA-N 0 0 321.327 3.012 20 10 DGCDRN CCC(CC)[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])N(C)C ZINC000756398395 621635505 /nfs/dbraw/zinc/63/55/05/621635505.db2.gz DPECSNKTHWFWJP-LRDDRELGSA-N 0 0 323.437 3.317 20 10 DGCDRN C[C@H]([NH2+]C1CCOCC1)c1cc(Br)c(F)cc1[O-] ZINC000756434232 621638268 /nfs/dbraw/zinc/63/82/68/621638268.db2.gz VIMNZOSIEMQLBC-QMMMGPOBSA-N 0 0 318.186 3.123 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCSC(F)(F)F)c1 ZINC000756443004 621638978 /nfs/dbraw/zinc/63/89/78/621638978.db2.gz RQVDYVTXOZLHMN-MRVPVSSYSA-N 0 0 323.336 3.082 20 10 DGCDRN C[C@@H]([NH2+]CCc1cnn(C)c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756442389 621639061 /nfs/dbraw/zinc/63/90/61/621639061.db2.gz PIDFMXTVGUIXJO-SECBINFHSA-N 0 0 314.216 3.326 20 10 DGCDRN C[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1cc(F)cc(F)c1[O-] ZINC000756455725 621639435 /nfs/dbraw/zinc/63/94/35/621639435.db2.gz ASAMIKGOIRVRID-VFZGTOFNSA-N 0 0 311.303 3.194 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(F)cc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756494000 621641974 /nfs/dbraw/zinc/64/19/74/621641974.db2.gz CMMGJUWSWJLEKW-SECBINFHSA-N 0 0 308.284 3.429 20 10 DGCDRN C[C@H](COc1ccccc1)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756495497 621642038 /nfs/dbraw/zinc/64/20/38/621642038.db2.gz RVZHMIMCEQUEIV-CHWSQXEVSA-N 0 0 316.357 3.419 20 10 DGCDRN CO[C@H](C)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC000863160812 621643713 /nfs/dbraw/zinc/64/37/13/621643713.db2.gz BVQNSISOFRJOFX-OAHLLOKOSA-N 0 0 300.402 3.054 20 10 DGCDRN Cc1cc(CNC(=O)[C@H]2CCOC2)c(C)n1-c1cccc(C)c1 ZINC000863160873 621643752 /nfs/dbraw/zinc/64/37/52/621643752.db2.gz CTQNWIFGYWCFAQ-INIZCTEOSA-N 0 0 312.413 3.055 20 10 DGCDRN Cc1cc(CNC(=O)/C=C/[C@H]2CCCO2)c(C)n1-c1ccccc1 ZINC000863163904 621644212 /nfs/dbraw/zinc/64/42/12/621644212.db2.gz SSRZUFWYVIYGIU-GNISGLHKSA-N 0 0 324.424 3.446 20 10 DGCDRN Cc1cc(CNC(=O)c2cnn(C)c2)c(C)n1-c1cccc(C)c1 ZINC000863162362 621644297 /nfs/dbraw/zinc/64/42/97/621644297.db2.gz GBGDZJDPUKHQLA-UHFFFAOYSA-N 0 0 322.412 3.066 20 10 DGCDRN CC(=O)CCCC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000863166036 621644525 /nfs/dbraw/zinc/64/45/25/621644525.db2.gz JNDKJLPVPMKGCP-UHFFFAOYSA-N 0 0 312.413 3.470 20 10 DGCDRN Cc1cc(CNC(=O)[C@@H](C)n2cccn2)c(C)n1-c1ccccc1 ZINC000863165107 621644745 /nfs/dbraw/zinc/64/47/45/621644745.db2.gz JINIGTNEHQRBMV-MRXNPFEDSA-N 0 0 322.412 3.168 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCCOC1)c1cc(Br)c(F)cc1[O-] ZINC000756554728 621647954 /nfs/dbraw/zinc/64/79/54/621647954.db2.gz JACHUVCVQJAORZ-DTWKUNHWSA-N 0 0 318.186 3.123 20 10 DGCDRN C[C@H]([NH2+]CCc1ccc2c(c1)CCO2)c1cc(F)cc(F)c1[O-] ZINC000756573009 621650211 /nfs/dbraw/zinc/65/02/11/621650211.db2.gz OPOARDOWTBOHME-NSHDSACASA-N 0 0 319.351 3.499 20 10 DGCDRN C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756571682 621650370 /nfs/dbraw/zinc/65/03/70/621650370.db2.gz IYGPHZSLOPCROJ-APPDUMDISA-N 0 0 307.340 3.229 20 10 DGCDRN CCC[C@H](O)C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756578000 621650691 /nfs/dbraw/zinc/65/06/91/621650691.db2.gz UQHLDGIBLCRITA-BDAKNGLRSA-N 0 0 320.202 3.105 20 10 DGCDRN CC(C)n1cc([C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000756575920 621650811 /nfs/dbraw/zinc/65/08/11/621650811.db2.gz RFCAOSBVUTYNAW-VXGBXAGGSA-N 0 0 318.377 3.490 20 10 DGCDRN C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1cc(F)cc(F)c1[O-] ZINC000756603787 621652358 /nfs/dbraw/zinc/65/23/58/621652358.db2.gz KWGWBVKZRQJPMP-VFZGTOFNSA-N 0 0 313.369 3.290 20 10 DGCDRN C[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cc(F)cc(F)c1[O-] ZINC000756603785 621652394 /nfs/dbraw/zinc/65/23/94/621652394.db2.gz KWGWBVKZRQJPMP-RFAUZJTJSA-N 0 0 313.369 3.290 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CC[C@H](SC)C2)c1 ZINC000756610533 621652741 /nfs/dbraw/zinc/65/27/41/621652741.db2.gz PGTTWKVDGNUNSK-DRZSPHRISA-N 0 0 309.431 3.114 20 10 DGCDRN CCSCC[C@@H](C)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756618413 621653077 /nfs/dbraw/zinc/65/30/77/621653077.db2.gz PXNGTRYJTVLFFP-NEPJUHHUSA-N 0 0 311.447 3.361 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2C[C@](C)(OC)C2(C)C)c1 ZINC000756625385 621653560 /nfs/dbraw/zinc/65/35/60/621653560.db2.gz KAAFRRRCVLKHEO-POHZPAGDSA-N 0 0 321.417 3.033 20 10 DGCDRN C[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)c1cc(F)cc(F)c1[O-] ZINC000756629951 621653974 /nfs/dbraw/zinc/65/39/74/621653974.db2.gz SRNUINWUZNXKCI-SNVBAGLBSA-N 0 0 315.360 3.443 20 10 DGCDRN CCOc1ccccc1OCCN(C)c1ccc2c(c1)OCO2 ZINC000756654104 621656624 /nfs/dbraw/zinc/65/66/24/621656624.db2.gz DYVGHTUTAZKSDI-UHFFFAOYSA-N 0 0 315.369 3.329 20 10 DGCDRN CC(=O)c1cc(F)cc(CN(C)c2ccc3c(c2)OCO3)c1O ZINC000756655438 621656684 /nfs/dbraw/zinc/65/66/84/621656684.db2.gz SXUPYQWDNPAWIB-UHFFFAOYSA-N 0 0 317.316 3.099 20 10 DGCDRN COc1ccc(OC)c(CN(C)c2ccc3c(c2)OCO3)c1 ZINC000756654623 621656711 /nfs/dbraw/zinc/65/67/11/621656711.db2.gz KFYCGHRXXIJXOS-UHFFFAOYSA-N 0 0 301.342 3.069 20 10 DGCDRN C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756678114 621658231 /nfs/dbraw/zinc/65/82/31/621658231.db2.gz UWHLHIGWZHVGGI-UEKVPHQBSA-N 0 0 320.345 3.056 20 10 DGCDRN Cc1ccncc1[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756674932 621658366 /nfs/dbraw/zinc/65/83/66/621658366.db2.gz DOHVXYLZDKJKSN-NEPJUHHUSA-N 0 0 301.346 3.416 20 10 DGCDRN COc1ccccc1[C@H](CO)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756710186 621659742 /nfs/dbraw/zinc/65/97/42/621659742.db2.gz BUXUAQJUSYWULX-BMIGLBTASA-N 0 0 323.339 3.063 20 10 DGCDRN C[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1cc(F)cc(F)c1[O-] ZINC000756711864 621659791 /nfs/dbraw/zinc/65/97/91/621659791.db2.gz MUBOJBPTUODVBV-RFAUZJTJSA-N 0 0 311.303 3.194 20 10 DGCDRN COc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756710187 621659869 /nfs/dbraw/zinc/65/98/69/621659869.db2.gz BUXUAQJUSYWULX-BONVTDFDSA-N 0 0 323.339 3.063 20 10 DGCDRN COCCOC[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756731995 621661296 /nfs/dbraw/zinc/66/12/96/621661296.db2.gz FHTFSFZZPNDKRH-ZJUUUORDSA-N 0 0 322.232 3.401 20 10 DGCDRN CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756736362 621661946 /nfs/dbraw/zinc/66/19/46/621661946.db2.gz MZBOTCYMNMUVDP-AHIWAGSCSA-N 0 0 322.405 3.402 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])[C@@H](O)Cc1ccccc1 ZINC000756757918 621662127 /nfs/dbraw/zinc/66/21/27/621662127.db2.gz DAGZSCJAORNDQK-JKDFXYPNSA-N 0 0 321.367 3.313 20 10 DGCDRN COC(=O)c1cnc(CSc2ncc(C(C)(C)C)s2)cn1 ZINC000863314366 621662226 /nfs/dbraw/zinc/66/22/26/621662226.db2.gz HPRSEGOHHTVCOK-UHFFFAOYSA-N 0 0 323.443 3.310 20 10 DGCDRN Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756786125 621664432 /nfs/dbraw/zinc/66/44/32/621664432.db2.gz JPHRRQNISGAHNL-JTQLQIEISA-N 0 0 323.387 3.304 20 10 DGCDRN Cc1cc(C(=O)NCC2COC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000863353914 621666539 /nfs/dbraw/zinc/66/65/39/621666539.db2.gz PDTAFQKQAQQYBP-UHFFFAOYSA-N 0 0 312.413 3.087 20 10 DGCDRN C[C@@H](Nc1ccc(CS(C)(=O)=O)cc1)c1ccc(F)cc1O ZINC000756833379 621667144 /nfs/dbraw/zinc/66/71/44/621667144.db2.gz ZDULENFMIGTOOO-LLVKDONJSA-N 0 0 323.389 3.249 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c1[O-] ZINC000756900524 621671531 /nfs/dbraw/zinc/67/15/31/621671531.db2.gz FKTDVKQLVXLGOT-LRDDRELGSA-N 0 0 323.820 3.249 20 10 DGCDRN CC[C@@H]1CC[C@@H](C(=O)NCc2ccc(N(CC)CC)c(F)c2)O1 ZINC000756934151 621673724 /nfs/dbraw/zinc/67/37/24/621673724.db2.gz OOEOVRGOSJGFDL-PBHICJAKSA-N 0 0 322.424 3.246 20 10 DGCDRN CS[C@H](C)CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000756946619 621674680 /nfs/dbraw/zinc/67/46/80/621674680.db2.gz OPKQFJUNUMPAHT-CQSZACIVSA-N 0 0 306.475 3.435 20 10 DGCDRN CC[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000756985563 621677387 /nfs/dbraw/zinc/67/73/87/621677387.db2.gz HLGJUPLCTBHZRH-HIFRSBDPSA-N 0 0 307.413 3.270 20 10 DGCDRN C[C@H]1CC(=O)N(C)c2ccc(NC(=O)C3=CC(=O)CS3)cc21 ZINC000863539714 621682033 /nfs/dbraw/zinc/68/20/33/621682033.db2.gz IIVLJWGKKZMYHQ-VIFPVBQESA-N 0 0 316.382 3.176 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCC23CCC(CC2)C3)c1 ZINC000757053670 621682794 /nfs/dbraw/zinc/68/27/94/621682794.db2.gz RXIYCOLTZVTJRW-ZVLZOBCMSA-N 0 0 318.417 3.341 20 10 DGCDRN COc1cc(C)nc(CN(C)c2ccc(OC)c(OC)c2)c1 ZINC000757084718 621685609 /nfs/dbraw/zinc/68/56/09/621685609.db2.gz DWQMPNOYPVNFTN-UHFFFAOYSA-N 0 0 302.374 3.052 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000757098953 621686271 /nfs/dbraw/zinc/68/62/71/621686271.db2.gz IMFLNEGHBGCORF-UKRRQHHQSA-N 0 0 318.442 3.189 20 10 DGCDRN Cc1ccc(N(CC2CC2)C(=O)/C=C/c2cnccn2)cc1F ZINC000863600700 621687146 /nfs/dbraw/zinc/68/71/46/621687146.db2.gz SRTAUJNXTYLOJT-FNORWQNLSA-N 0 0 311.360 3.381 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cccnc2Cl)c1 ZINC000103503260 621697108 /nfs/dbraw/zinc/69/71/08/621697108.db2.gz HJTUVLWGBURBSS-VIFPVBQESA-N 0 0 321.764 3.332 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2cccc(C)c2)c1 ZINC000103507808 621697739 /nfs/dbraw/zinc/69/77/39/621697739.db2.gz UFEWCBCAZRBYOU-ZDUSSCGKSA-N 0 0 314.385 3.270 20 10 DGCDRN CC1(C)C[C@@H](C(=O)NCc2ccccc2O)c2ccccc2O1 ZINC000839612487 621700194 /nfs/dbraw/zinc/70/01/94/621700194.db2.gz PXBMSQKIKXQFFP-OAHLLOKOSA-N 0 0 311.381 3.353 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)C[C@@H](C)c1cnn(C)c1 ZINC000839622787 621701615 /nfs/dbraw/zinc/70/16/15/621701615.db2.gz VATGMAQRWNKMDN-CQSZACIVSA-N 0 0 315.417 3.058 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2)c1 ZINC000103530460 621707551 /nfs/dbraw/zinc/70/75/51/621707551.db2.gz PVUMGILHKJYZGW-OLZOCXBDSA-N 0 0 315.369 3.046 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCc2ccccc2O1 ZINC000839682234 621711836 /nfs/dbraw/zinc/71/18/36/621711836.db2.gz AYQFIAHCHNADLX-LJQANCHMSA-N 0 0 324.424 3.071 20 10 DGCDRN Cc1ncsc1CCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000839729145 621717208 /nfs/dbraw/zinc/71/72/08/621717208.db2.gz RQTBKOIGAKHFHQ-LBPRGKRZSA-N 0 0 317.458 3.328 20 10 DGCDRN O=C(NCCC1(F)CCC1)NCc1ccc(N2CC=CC2)cc1 ZINC000805145796 621719839 /nfs/dbraw/zinc/71/98/39/621719839.db2.gz XVVDCLDTCFLJCP-UHFFFAOYSA-N 0 0 317.408 3.144 20 10 DGCDRN C[C@@H](Nc1cccc([C@H]2CNC(=O)C2)c1)c1cc(F)ccc1O ZINC000757619854 621729073 /nfs/dbraw/zinc/72/90/73/621729073.db2.gz UZAILAULKKJYCO-DGCLKSJQSA-N 0 0 314.360 3.308 20 10 DGCDRN CON(C(=O)c1cc(C)n(-c2ccccn2)c1C)C1CCCC1 ZINC000757639535 621730772 /nfs/dbraw/zinc/73/07/72/621730772.db2.gz WYDPNCREIPZSHO-UHFFFAOYSA-N 0 0 313.401 3.435 20 10 DGCDRN COc1ccc(NCc2ccc(N3CCOCC3)cc2)c(F)c1 ZINC000864042419 621730989 /nfs/dbraw/zinc/73/09/89/621730989.db2.gz LIDNAXWRNNTRPL-UHFFFAOYSA-N 0 0 316.376 3.283 20 10 DGCDRN CN(C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000757718360 621735942 /nfs/dbraw/zinc/73/59/42/621735942.db2.gz RHUFAKCMGLVQSN-UHFFFAOYSA-N 0 0 304.777 3.424 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[N@H+](C)Cc2ccccn2)c1 ZINC000757891119 621745266 /nfs/dbraw/zinc/74/52/66/621745266.db2.gz VTBRJBZPSZOYJT-UHFFFAOYSA-N 0 0 321.218 3.490 20 10 DGCDRN O=C(C1=CC(=O)CS1)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000757910460 621746125 /nfs/dbraw/zinc/74/61/25/621746125.db2.gz UYPQQBOXOCVPFJ-OAHLLOKOSA-N 0 0 317.410 3.275 20 10 DGCDRN C[C@H](CC(C)(C)[NH2+]Cc1cc(F)c(N(C)C)cc1F)C(=O)[O-] ZINC000864513993 621776312 /nfs/dbraw/zinc/77/63/12/621776312.db2.gz MNCUQDJMYRIJDW-SNVBAGLBSA-N 0 0 314.376 3.010 20 10 DGCDRN COc1ccc(C[NH2+]C[C@@H](CC(=O)[O-])C2CCCC2)cc1C ZINC000864523540 621778329 /nfs/dbraw/zinc/77/83/29/621778329.db2.gz KRAJSMYMMNBWAX-MRXNPFEDSA-N 0 0 305.418 3.374 20 10 DGCDRN CCOC(=O)/C(=C/c1cnc(C(C)C)s1)c1nccn1C ZINC000758428657 621781180 /nfs/dbraw/zinc/78/11/80/621781180.db2.gz FLZXHIRDPSHYGM-XYOKQWHBSA-N 0 0 305.403 3.104 20 10 DGCDRN COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000120100715 621782163 /nfs/dbraw/zinc/78/21/63/621782163.db2.gz FWYKHGVEVPRXNV-GFCCVEGCSA-N 0 0 316.357 3.468 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C2([C@@H]3CCCCO3)CCC2)cc1 ZINC000864573143 621787072 /nfs/dbraw/zinc/78/70/72/621787072.db2.gz HAPBJRKXVFNVJE-KRWDZBQOSA-N 0 0 316.445 3.108 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1ccno1 ZINC000758536002 621787190 /nfs/dbraw/zinc/78/71/90/621787190.db2.gz BRLGYMOHLFSLSN-UHFFFAOYSA-N 0 0 301.371 3.074 20 10 DGCDRN CC(C)Oc1ccccc1COC(=O)c1cccc(O)c1O ZINC000758545783 621788001 /nfs/dbraw/zinc/78/80/01/621788001.db2.gz COQJNVDLAGTLGT-UHFFFAOYSA-N 0 0 302.326 3.242 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@@H](c2cccnc2)C2CC2)cc1 ZINC000758552994 621788442 /nfs/dbraw/zinc/78/84/42/621788442.db2.gz BOLUFNLTAQUWNO-GOSISDBHSA-N 0 0 324.428 3.098 20 10 DGCDRN C[C@@H](CCOC(=O)c1cccc(O)c1O)OCc1ccccc1 ZINC000758558905 621789331 /nfs/dbraw/zinc/78/93/31/621789331.db2.gz OGSXHGZKZKMFIL-ZDUSSCGKSA-N 0 0 316.353 3.250 20 10 DGCDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1cccc(O)c1O ZINC000758560084 621789509 /nfs/dbraw/zinc/78/95/09/621789509.db2.gz UWRRREGPVMFPEG-JTQLQIEISA-N 0 0 317.297 3.232 20 10 DGCDRN CCO[C@@H](C)c1nc(COC(=O)c2cccc(O)c2O)cs1 ZINC000758574069 621790061 /nfs/dbraw/zinc/79/00/61/621790061.db2.gz ZPANSYUYXIGNJP-VIFPVBQESA-N 0 0 323.370 3.009 20 10 DGCDRN CC[C@]1(C)CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000758731233 621798778 /nfs/dbraw/zinc/79/87/78/621798778.db2.gz YZUCTUPNFTXNRD-QGZVFWFLSA-N 0 0 307.413 3.223 20 10 DGCDRN CC(=O)c1cc(F)cc(CN(C)Cc2cc(Cl)cn2C)c1O ZINC000120273759 621823386 /nfs/dbraw/zinc/82/33/86/621823386.db2.gz APGCTCLSQQCJQW-UHFFFAOYSA-N 0 0 324.783 3.358 20 10 DGCDRN Cc1cccnc1/C=C\C(=O)NCc1ccc(N(C)C)cc1C ZINC000759096297 621824349 /nfs/dbraw/zinc/82/43/49/621824349.db2.gz TXEGLIDGNUVMPY-KTKRTIGZSA-N 0 0 309.413 3.094 20 10 DGCDRN CCC(CC)(CC)CNC(=O)NCc1cc(OC)ccc1O ZINC000759579881 621873058 /nfs/dbraw/zinc/87/30/58/621873058.db2.gz MQCVOKAJUSCBQL-UHFFFAOYSA-N 0 0 308.422 3.416 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OC[C@@H]1CCc2ccccc2C1 ZINC000759589786 621873613 /nfs/dbraw/zinc/87/36/13/621873613.db2.gz SUSAAVNMNULICY-JOZWUWCOSA-N 0 0 324.376 3.459 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCCCCC(F)(F)F ZINC000759598984 621874000 /nfs/dbraw/zinc/87/40/00/621874000.db2.gz ZZNPZIOLCCHARS-XQRVVYSFSA-N 0 0 304.264 3.387 20 10 DGCDRN Cn1cnc2c1ncnc2Sc1ncc(C(C)(C)C)s1 ZINC000759716746 621885599 /nfs/dbraw/zinc/88/55/99/621885599.db2.gz DTNDNDJFGYJWHQ-UHFFFAOYSA-N 0 0 305.432 3.269 20 10 DGCDRN C[C@H]1C[C@@H]1c1nnc(NCc2cccc(Br)c2O)o1 ZINC000865295619 621892311 /nfs/dbraw/zinc/89/23/11/621892311.db2.gz IZVKXIFFVOQPST-CBAPKCEASA-N 0 0 324.178 3.273 20 10 DGCDRN COC(C)(C)c1nsc(NCc2c(O)cccc2Cl)n1 ZINC000865296292 621892501 /nfs/dbraw/zinc/89/25/01/621892501.db2.gz UMDHWAYMYHGITA-UHFFFAOYSA-N 0 0 313.810 3.391 20 10 DGCDRN CC[C@@](C)(CO)NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000760203946 621921012 /nfs/dbraw/zinc/92/10/12/621921012.db2.gz SZRZTBJQBATICE-IBGZPJMESA-N 0 0 314.429 3.293 20 10 DGCDRN C[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1ccc[nH]1 ZINC000760346079 621933914 /nfs/dbraw/zinc/93/39/14/621933914.db2.gz IRNRYPFSUIWUPW-LBPRGKRZSA-N 0 0 313.401 3.160 20 10 DGCDRN Cc1cn2c(CN(C)C(=O)C3=CC(=O)CS3)c(C)nc2s1 ZINC000760371348 621935925 /nfs/dbraw/zinc/93/59/25/621935925.db2.gz LTGVGMKADIAEEO-UHFFFAOYSA-N 0 0 321.427 3.052 20 10 DGCDRN CCCC1(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000760401301 621938336 /nfs/dbraw/zinc/93/83/36/621938336.db2.gz ULBBIUAMWCXETI-HNNXBMFYSA-N 0 0 316.445 3.281 20 10 DGCDRN CCO[C@H](CC(=O)NCc1ccc2c(c1)CCCN2C)C(C)C ZINC000760474259 621943304 /nfs/dbraw/zinc/94/33/04/621943304.db2.gz MCEWODKPRDGTBO-GOSISDBHSA-N 0 0 318.461 3.136 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)c1ccc[nH]1 ZINC000760871717 621969908 /nfs/dbraw/zinc/96/99/08/621969908.db2.gz WIYBQWZBQYTHHA-CQSZACIVSA-N 0 0 314.433 3.373 20 10 DGCDRN CN1C(=O)/C(=C\c2nc3ccc(F)cc3s2)SC1=S ZINC000760989083 621978327 /nfs/dbraw/zinc/97/83/27/621978327.db2.gz KQECHPLVHPJFRY-WEVVVXLNSA-N 0 0 310.400 3.266 20 10 DGCDRN COc1ccc(N(C)Cc2cnc3c(C)cccn23)cc1OC ZINC000761219659 621995240 /nfs/dbraw/zinc/99/52/40/621995240.db2.gz AHLQQAQBMPMQEV-UHFFFAOYSA-N 0 0 311.385 3.296 20 10 DGCDRN CSc1cc(C(=O)NCc2ccc(N(C)C)cc2C)co1 ZINC000865905156 622018381 /nfs/dbraw/zinc/01/83/81/622018381.db2.gz YWGBCVYSXWJWKF-UHFFFAOYSA-N 0 0 304.415 3.306 20 10 DGCDRN CCCN1C(=O)N([C@H](C)c2ccc(N(C)C)cc2)C(=O)[C@@H]1CC ZINC000761577306 622018960 /nfs/dbraw/zinc/01/89/60/622018960.db2.gz GBIMFAPVUSMQFR-CJNGLKHVSA-N 0 0 317.433 3.266 20 10 DGCDRN Cn1c(-c2ccccc2)cnc1SC[C@@H]1CC2(CC2)C(=O)O1 ZINC000761641044 622021940 /nfs/dbraw/zinc/02/19/40/622021940.db2.gz HPIWTZSWXRKUKI-ZDUSSCGKSA-N 0 0 314.410 3.275 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2ccccc2C)c1 ZINC000103597491 622027720 /nfs/dbraw/zinc/02/77/20/622027720.db2.gz PHUYSBAKCKCKTG-ZDUSSCGKSA-N 0 0 314.385 3.270 20 10 DGCDRN Cc1ccnc(N2CCN(Cc3c(O)cccc3Cl)CC2)c1 ZINC000120909171 622047254 /nfs/dbraw/zinc/04/72/54/622047254.db2.gz FWCCUCINFVZFPC-UHFFFAOYSA-N 0 0 317.820 3.071 20 10 DGCDRN Cc1cc(Cc2noc(-c3ccc(-n4cccc4)cc3)n2)no1 ZINC000762103389 622053068 /nfs/dbraw/zinc/05/30/68/622053068.db2.gz XODQFWMYDZOKMP-UHFFFAOYSA-N 0 0 306.325 3.415 20 10 DGCDRN CCOc1ncccc1NC(=O)N[C@H](C)c1ccccc1O ZINC000866161549 622056991 /nfs/dbraw/zinc/05/69/91/622056991.db2.gz PXYOWGPZVXWDDA-LLVKDONJSA-N 0 0 301.346 3.069 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCSC2)cc1F ZINC000762176551 622060259 /nfs/dbraw/zinc/06/02/59/622060259.db2.gz CDLNSYQFRLYWBX-CYBMUJFWSA-N 0 0 310.438 3.041 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCSC2)cc1F ZINC000762176566 622060276 /nfs/dbraw/zinc/06/02/76/622060276.db2.gz CDLNSYQFRLYWBX-ZDUSSCGKSA-N 0 0 310.438 3.041 20 10 DGCDRN CC[C@@H](Cc1ccccc1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000762268009 622067040 /nfs/dbraw/zinc/06/70/40/622067040.db2.gz ZEIQLXXIESZPBE-INIZCTEOSA-N 0 0 313.397 3.025 20 10 DGCDRN COc1cc(C(F)(F)F)nc(N[C@H](C)c2ccccc2O)n1 ZINC000866236868 622073039 /nfs/dbraw/zinc/07/30/39/622073039.db2.gz DIUUFEFDQSIYQM-MRVPVSSYSA-N 0 0 313.279 3.383 20 10 DGCDRN O=C(/C=C/c1cnccn1)N1CC2(CCCC2)c2cccc(F)c21 ZINC000762673873 622090479 /nfs/dbraw/zinc/09/04/79/622090479.db2.gz SFIPNNWAYHGHBM-VOTSOKGWSA-N 0 0 323.371 3.488 20 10 DGCDRN CC[C@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1ccc(F)cc1[O-] ZINC000866530999 622132727 /nfs/dbraw/zinc/13/27/27/622132727.db2.gz DAGZRMPQADCXHA-ZBFHGGJFSA-N 0 0 323.408 3.158 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1ccc(F)cc1[O-] ZINC000866530996 622132790 /nfs/dbraw/zinc/13/27/90/622132790.db2.gz DAGZRMPQADCXHA-GDBMZVCRSA-N 0 0 323.408 3.158 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)c3ccn(C)c3)cc2)CC1 ZINC000763368227 622141551 /nfs/dbraw/zinc/14/15/51/622141551.db2.gz REQAIQGEGCODQF-UHFFFAOYSA-N 0 0 311.429 3.191 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC12CC(OCC)C2 ZINC000866598768 622144487 /nfs/dbraw/zinc/14/44/87/622144487.db2.gz OVNZMPVPUIZJER-WUJZJPHMSA-N 0 0 317.429 3.336 20 10 DGCDRN C[C@H]([NH2+]C1([C@@H]2CCCCO2)CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866622591 622148935 /nfs/dbraw/zinc/14/89/35/622148935.db2.gz HKNAVWNSQNHZHL-LRDDRELGSA-N 0 0 320.389 3.443 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1cccc(C(F)(F)F)c1[O-] ZINC000866638830 622152223 /nfs/dbraw/zinc/15/22/23/622152223.db2.gz LYFYOKCYXBNCON-WQAKAFBOSA-N 0 0 303.324 3.365 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCC(F)(F)C1 ZINC000763709300 622159791 /nfs/dbraw/zinc/15/97/91/622159791.db2.gz ULQIJFGNKVSGJR-CYBMUJFWSA-N 0 0 311.376 3.048 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)[C@@H]2CCCCO2)c1 ZINC000866765274 622163279 /nfs/dbraw/zinc/16/32/79/622163279.db2.gz STCNRAMBXHQKKA-LRDDRELGSA-N 0 0 321.417 3.173 20 10 DGCDRN COc1cccc(CNc2cc(C(=O)N(C)C)ccc2C)c1O ZINC000121898890 622190001 /nfs/dbraw/zinc/19/00/01/622190001.db2.gz HFTDUXDMCXMDKI-UHFFFAOYSA-N 0 0 314.385 3.023 20 10 DGCDRN O=C(NCCCSc1nccs1)N[C@H]1CCC(F)(F)C1 ZINC000764362471 622190174 /nfs/dbraw/zinc/19/01/74/622190174.db2.gz ZJJIVRZZFZVYNG-VIFPVBQESA-N 0 0 321.418 3.112 20 10 DGCDRN Cc1ccc(OCCNC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000867955399 622197136 /nfs/dbraw/zinc/19/71/36/622197136.db2.gz ZWQLOPKLDAMPJV-AWEZNQCLSA-N 0 0 314.385 3.140 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)Cc2ccco2)cc1 ZINC000764630620 622208602 /nfs/dbraw/zinc/20/86/02/622208602.db2.gz UEUPBVOXYIGNTO-UHFFFAOYSA-N 0 0 300.402 3.327 20 10 DGCDRN CC1(F)CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000868111522 622215159 /nfs/dbraw/zinc/21/51/59/622215159.db2.gz CUPSEGPABZKIMF-UHFFFAOYSA-N 0 0 319.424 3.320 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000868110082 622215319 /nfs/dbraw/zinc/21/53/19/622215319.db2.gz SBFMZYCKHMUFOT-IIAWOOMASA-N 0 0 305.418 3.334 20 10 DGCDRN CCC[C@H](C)NC(=O)NCc1cccc(Br)c1O ZINC000764758662 622218073 /nfs/dbraw/zinc/21/80/73/622218073.db2.gz SGECHLNRDHEWNE-VIFPVBQESA-N 0 0 315.211 3.143 20 10 DGCDRN Cc1cc(N)cc(NC(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000868193671 622224150 /nfs/dbraw/zinc/22/41/50/622224150.db2.gz TUDYJGAOKBLNPG-UHFFFAOYSA-N 0 0 312.417 3.273 20 10 DGCDRN O=C(NCc1cc(Br)ccc1O)[C@@]12C[C@@H]1CCCC2 ZINC000868307001 622232317 /nfs/dbraw/zinc/23/23/17/622232317.db2.gz LDBJUHVCTHENKU-NHYWBVRUSA-N 0 0 324.218 3.351 20 10 DGCDRN Oc1c(Br)cccc1CNc1ncncc1Cl ZINC000764935398 622233749 /nfs/dbraw/zinc/23/37/49/622233749.db2.gz SWHAXMHAGIMPAX-UHFFFAOYSA-N 0 0 314.570 3.210 20 10 DGCDRN Oc1c(Br)cccc1CNc1ncnc2c1CCC2 ZINC000764934790 622233816 /nfs/dbraw/zinc/23/38/16/622233816.db2.gz LYCITANOSHSGME-UHFFFAOYSA-N 0 0 320.190 3.046 20 10 DGCDRN Cc1cc(NCc2cccc(Br)c2O)nc(C)n1 ZINC000764934047 622233971 /nfs/dbraw/zinc/23/39/71/622233971.db2.gz IEJIAEOPOHJSGR-UHFFFAOYSA-N 0 0 308.179 3.174 20 10 DGCDRN Oc1c(Br)cccc1CNc1ncnc2[nH]ccc21 ZINC000764934044 622234066 /nfs/dbraw/zinc/23/40/66/622234066.db2.gz HYXJENIFJYSMJS-UHFFFAOYSA-N 0 0 319.162 3.038 20 10 DGCDRN C[C@@H](NC(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1ccccc1O ZINC000868423341 622242704 /nfs/dbraw/zinc/24/27/04/622242704.db2.gz ZHIMRDAQXKACAE-HYLIHCSXSA-N 0 0 322.408 3.338 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1)c1ccccc1O ZINC000868460965 622245627 /nfs/dbraw/zinc/24/56/27/622245627.db2.gz IBVBZADYOCRQAH-XEZPLFJOSA-N 0 0 320.433 3.346 20 10 DGCDRN CC(C)C[C@H]1C[C@@H](NC(=O)N[C@H](C)c2ccccc2O)CCO1 ZINC000868479844 622248092 /nfs/dbraw/zinc/24/80/92/622248092.db2.gz LKCUIUHFTXQGDW-ILXRZTDVSA-N 0 0 320.433 3.346 20 10 DGCDRN Cc1cc(Cl)nc(CNC(=O)N[C@H](C)c2ccccc2O)c1 ZINC000868580822 622259820 /nfs/dbraw/zinc/25/98/20/622259820.db2.gz HOCROONGIYBFPL-LLVKDONJSA-N 0 0 319.792 3.309 20 10 DGCDRN C[C@H](NC(=O)NCC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000868585482 622260948 /nfs/dbraw/zinc/26/09/48/622260948.db2.gz FPFWLLYUBNVGLT-XGUBFFRZSA-N 0 0 320.433 3.346 20 10 DGCDRN C[C@H](NC(=O)NCC(C)(C)C(F)(F)F)c1ccccc1O ZINC000868587333 622261411 /nfs/dbraw/zinc/26/14/11/622261411.db2.gz UOWHRBVDRFHOEX-VIFPVBQESA-N 0 0 304.312 3.341 20 10 DGCDRN Cc1ccc([N+](=O)[O-])c(NCc2ccc3c(c2)CCCN3C)n1 ZINC000765483427 622267658 /nfs/dbraw/zinc/26/76/58/622267658.db2.gz SDDQJOCVKNPTTL-UHFFFAOYSA-N 0 0 312.373 3.293 20 10 DGCDRN O=C(CCc1cncc2ccccc21)NCc1ccccc1O ZINC000765590063 622274901 /nfs/dbraw/zinc/27/49/01/622274901.db2.gz QPXLMMZZXUGDTI-UHFFFAOYSA-N 0 0 306.365 3.189 20 10 DGCDRN CC[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CC[C@@H]1[NH3+] ZINC000122268883 622275251 /nfs/dbraw/zinc/27/52/51/622275251.db2.gz RMBLKQAFSIOOPO-RNCFNFMXSA-N 0 0 303.233 3.258 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccc(N(C)C)cc1 ZINC000765619748 622277449 /nfs/dbraw/zinc/27/74/49/622277449.db2.gz MQDYOXMZIYJBRQ-GFCCVEGCSA-N 0 0 315.373 3.217 20 10 DGCDRN CN(C)c1ccc(CN2CCOc3cc(N(C)C)ccc32)cc1 ZINC000765658393 622280368 /nfs/dbraw/zinc/28/03/68/622280368.db2.gz RBQZBNTXGMBOFE-UHFFFAOYSA-N 0 0 311.429 3.218 20 10 DGCDRN Cc1cc(C)c(C(=O)NCc2cccc(Br)c2O)o1 ZINC000765726653 622284310 /nfs/dbraw/zinc/28/43/10/622284310.db2.gz IJIFOAAGMZKXJY-UHFFFAOYSA-N 0 0 324.174 3.295 20 10 DGCDRN Cc1cccc(C(=O)NCc2cccc(Br)c2O)c1 ZINC000765766460 622285756 /nfs/dbraw/zinc/28/57/56/622285756.db2.gz WKJYTCJRKKEOOS-UHFFFAOYSA-N 0 0 320.186 3.393 20 10 DGCDRN CCC[C@H](C)C(=O)NCc1cccc(Br)c1O ZINC000765765873 622285987 /nfs/dbraw/zinc/28/59/87/622285987.db2.gz UFUGUUUXJIEDJT-VIFPVBQESA-N 0 0 300.196 3.207 20 10 DGCDRN COc1ccc(CNC(=O)NCc2ccccc2O)cc1Cl ZINC000765935516 622295242 /nfs/dbraw/zinc/29/52/42/622295242.db2.gz GPXMSHAGKWNSSM-UHFFFAOYSA-N 0 0 320.776 3.054 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@H](C)[C@@H]2C)cc1 ZINC000765982725 622298472 /nfs/dbraw/zinc/29/84/72/622298472.db2.gz IKQAILGMDONVMP-HOTGVXAUSA-N 0 0 312.413 3.344 20 10 DGCDRN COC(=O)c1cc(CSc2nccs2)cc(C(=O)OC)c1 ZINC000766288240 622317592 /nfs/dbraw/zinc/31/75/92/622317592.db2.gz FNHMXVRVHSWOPC-UHFFFAOYSA-N 0 0 323.395 3.009 20 10 DGCDRN COc1cc(-c2nc3cc(SC)ccc3[nH]2)cc(O)c1O ZINC000766294234 622318163 /nfs/dbraw/zinc/31/81/63/622318163.db2.gz QRLSJHFVLJDCOC-UHFFFAOYSA-N 0 0 302.355 3.372 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cn1cc(Br)cn1 ZINC000766341894 622323044 /nfs/dbraw/zinc/32/30/44/622323044.db2.gz UERVIXPXUHCJGI-UHFFFAOYSA-N 0 0 322.206 3.065 20 10 DGCDRN C[C@H](CC(F)(F)F)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000766479810 622332818 /nfs/dbraw/zinc/33/28/18/622332818.db2.gz PLZICSLHODRXKZ-ZCFIWIBFSA-N 0 0 312.675 3.384 20 10 DGCDRN COc1ccc(CNC(=S)Nc2cc(C)cc(C)c2)nc1 ZINC000766512633 622335344 /nfs/dbraw/zinc/33/53/44/622335344.db2.gz QTALSTCSAAXZMZ-UHFFFAOYSA-N 0 0 301.415 3.194 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)CC(F)(F)F)c1 ZINC000766655520 622344746 /nfs/dbraw/zinc/34/47/46/622344746.db2.gz CWGDUCVSNBIKPI-IUCAKERBSA-N 0 0 320.311 3.102 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)CC(F)(F)F)c1 ZINC000766655516 622344787 /nfs/dbraw/zinc/34/47/87/622344787.db2.gz CWGDUCVSNBIKPI-DTWKUNHWSA-N 0 0 320.311 3.102 20 10 DGCDRN Cc1csc(CCC(=O)NCc2ccc(N(C)C)cc2C)n1 ZINC000766686293 622346743 /nfs/dbraw/zinc/34/67/43/622346743.db2.gz XMNHBNVNTCQEAX-UHFFFAOYSA-N 0 0 317.458 3.075 20 10 DGCDRN O=C(NCc1ccccc1O)c1cccc([C@H]2CCCOC2)c1 ZINC000767086974 622374380 /nfs/dbraw/zinc/37/43/80/622374380.db2.gz CJRFMYSERKSMHA-KRWDZBQOSA-N 0 0 311.381 3.216 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2csc(C)n2)c1 ZINC000767131170 622377262 /nfs/dbraw/zinc/37/72/62/622377262.db2.gz LCJQUZLCECXPNP-MRVPVSSYSA-N 0 0 307.375 3.048 20 10 DGCDRN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1cscn1 ZINC000768099054 622438407 /nfs/dbraw/zinc/43/84/07/622438407.db2.gz WBHJMZQVYZHAHM-KBPBESRZSA-N 0 0 317.458 3.392 20 10 DGCDRN Cc1cccc2c1N[C@H](c1cc(Cl)cc(F)c1O)NC2=O ZINC000768266298 622448065 /nfs/dbraw/zinc/44/80/65/622448065.db2.gz OZSJMLZIFATTLP-AWEZNQCLSA-N 0 0 306.724 3.347 20 10 DGCDRN Oc1ccccc1CNc1nc(-c2cccnc2)nc2c1CCC2 ZINC000768524732 622462057 /nfs/dbraw/zinc/46/20/57/622462057.db2.gz CIBCOLXQHBUPBI-UHFFFAOYSA-N 0 0 318.380 3.345 20 10 DGCDRN CC[C@@H](C)N(OC)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000768901411 622484443 /nfs/dbraw/zinc/48/44/43/622484443.db2.gz YTNQRPGCVKNWLL-GFCCVEGCSA-N 0 0 301.390 3.291 20 10 DGCDRN CCOc1ccc(CN(C)Cc2csc(CC)n2)c(O)c1 ZINC000769119348 622499919 /nfs/dbraw/zinc/49/99/19/622499919.db2.gz BGFCQGUWUVIRJI-UHFFFAOYSA-N 0 0 306.431 3.442 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CC3CCC2CC3)c1 ZINC000769189159 622506348 /nfs/dbraw/zinc/50/63/48/622506348.db2.gz SZZCQVSLBBOIRF-ITDKRANNSA-N 0 0 318.417 3.340 20 10 DGCDRN CN(C)c1ccc(CN2CCC[C@H]2C(=O)OC(C)(C)C)cc1F ZINC000769326256 622518240 /nfs/dbraw/zinc/51/82/40/622518240.db2.gz GYWATQUGACKCLK-INIZCTEOSA-N 0 0 322.424 3.198 20 10 DGCDRN Cn1c2ccccc2c(Cl)c1C(=O)NCc1ccccc1O ZINC000769366169 622521215 /nfs/dbraw/zinc/52/12/15/622521215.db2.gz UOJMSMGPFUANDN-UHFFFAOYSA-N 0 0 314.772 3.467 20 10 DGCDRN C[C@@H]1SCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H]1C ZINC000769445594 622528197 /nfs/dbraw/zinc/52/81/97/622528197.db2.gz HKJQVAKWLGOATB-IUCAKERBSA-N 0 0 316.810 3.280 20 10 DGCDRN CC[C@H]1CN(Cc2cc(Cl)ccc2O)CCN1CC(F)F ZINC000769514734 622536587 /nfs/dbraw/zinc/53/65/87/622536587.db2.gz NSCYVGSWRWXYGE-ZDUSSCGKSA-N 0 0 318.795 3.207 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Cc2cc3ccccc3o2)c1 ZINC000769530473 622538540 /nfs/dbraw/zinc/53/85/40/622538540.db2.gz CFLVJIQPGKWYLT-UHFFFAOYSA-N 0 0 311.337 3.006 20 10 DGCDRN O=C(OCCOc1ccc(F)cc1Cl)C1=CC(=O)CS1 ZINC000769793095 622560569 /nfs/dbraw/zinc/56/05/69/622560569.db2.gz LYHLEGSCNQLHNQ-UHFFFAOYSA-N 0 0 316.737 3.482 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H](OC)C(C)C)cc1 ZINC000769803410 622561754 /nfs/dbraw/zinc/56/17/54/622561754.db2.gz MSGFDRZZTPUOHE-KRWDZBQOSA-N 0 0 306.450 3.162 20 10 DGCDRN O=C([C@@H]1C[C@@H]1c1cc(F)ccc1F)N1Cc2cccc(O)c2C1 ZINC000871202479 622566308 /nfs/dbraw/zinc/56/63/08/622566308.db2.gz IMYHXWHEODKGCG-TZMCWYRMSA-N 0 0 315.319 3.316 20 10 DGCDRN C[C@H](CC(=O)N1Cc2cccc(O)c2C1)C(=O)c1ccccc1 ZINC000871202259 622566539 /nfs/dbraw/zinc/56/65/39/622566539.db2.gz BKFYGNIAZBDSNF-CYBMUJFWSA-N 0 0 309.365 3.144 20 10 DGCDRN O=C(C[C@@H]1CCc2ccccc2C1)N1Cc2cccc(O)c2C1 ZINC000871202894 622567195 /nfs/dbraw/zinc/56/71/95/622567195.db2.gz OIHSGCCXSGBWOK-CQSZACIVSA-N 0 0 307.393 3.430 20 10 DGCDRN CCO[C@@H](C)c1ncc(C(=O)N2Cc3cccc(O)c3C2)s1 ZINC000871203089 622567487 /nfs/dbraw/zinc/56/74/87/622567487.db2.gz RUGCYKWWKGNRGS-JTQLQIEISA-N 0 0 318.398 3.102 20 10 DGCDRN O=C(c1cccc([C@H]2CCCOC2)c1)N1Cc2cccc(O)c2C1 ZINC000871204295 622567933 /nfs/dbraw/zinc/56/79/33/622567933.db2.gz XMPLBJIADWEJJQ-KRWDZBQOSA-N 0 0 323.392 3.442 20 10 DGCDRN COc1cccc(CCC(=O)N2Cc3cccc(O)c3C2)c1F ZINC000871204391 622567997 /nfs/dbraw/zinc/56/79/97/622567997.db2.gz DGLUKMHZEOYKMW-UHFFFAOYSA-N 0 0 315.344 3.015 20 10 DGCDRN CC(C)[C@@H]1C[C@@H](CC(=O)N2Cc3cccc(O)c3C2)CCO1 ZINC000871205060 622568266 /nfs/dbraw/zinc/56/82/66/622568266.db2.gz VBQXXHKDSBSWGG-GUYCJALGSA-N 0 0 303.402 3.076 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nc(C)c(C)s1 ZINC000770133199 622605008 /nfs/dbraw/zinc/60/50/08/622605008.db2.gz XRNZOADYSNRGEV-UHFFFAOYSA-N 0 0 317.458 3.488 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)c(O)c1O ZINC000770473734 622637396 /nfs/dbraw/zinc/63/73/96/622637396.db2.gz SCAPLSLZHSMEDD-UHFFFAOYSA-N 0 0 315.369 3.123 20 10 DGCDRN C[C@H]1CN(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)[C@H]1C ZINC000888585571 622678401 /nfs/dbraw/zinc/67/84/01/622678401.db2.gz MZQABQLUNCIVEG-STQMWFEESA-N 0 0 321.384 3.268 20 10 DGCDRN CC[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[C@H](C)O ZINC000789949205 625586034 /nfs/dbraw/zinc/58/60/34/625586034.db2.gz FWZUGWDFGNEFGY-MAUKXSAKSA-N 0 0 318.461 3.042 20 10 DGCDRN C[C@@H]1C[C@@H](C)N1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000888586119 622685687 /nfs/dbraw/zinc/68/56/87/622685687.db2.gz WGJXZLDCTJJBIB-CHWSQXEVSA-N 0 0 321.384 3.411 20 10 DGCDRN CC[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[C@@H](C)O ZINC000789949204 625586695 /nfs/dbraw/zinc/58/66/95/625586695.db2.gz FWZUGWDFGNEFGY-CRAIPNDOSA-N 0 0 318.461 3.042 20 10 DGCDRN CCC(CC)n1ccc(C(=O)N(C)Cc2ccccc2O)n1 ZINC000770997187 622701177 /nfs/dbraw/zinc/70/11/77/622701177.db2.gz VNNOAZZFFOMDNS-UHFFFAOYSA-N 0 0 301.390 3.222 20 10 DGCDRN O=C(c1c(F)ccc(O)c1O)N1CCCC2(CCCCC2)C1 ZINC000789979427 625589406 /nfs/dbraw/zinc/58/94/06/625589406.db2.gz GXGRTOZNOHGWEQ-UHFFFAOYSA-N 0 0 307.365 3.423 20 10 DGCDRN COc1cc(C(=O)NCc2ccc(N(C)C)cc2)ccc1Cl ZINC000123859411 622733450 /nfs/dbraw/zinc/73/34/50/622733450.db2.gz YEZOSGBBLGPYLG-UHFFFAOYSA-N 0 0 318.804 3.345 20 10 DGCDRN COc1cccc(CNC(=O)c2ccc(C)c(Cl)c2F)c1O ZINC000789997085 625591661 /nfs/dbraw/zinc/59/16/61/625591661.db2.gz ZPLLKRALFFWREI-UHFFFAOYSA-N 0 0 323.751 3.432 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)NCC1(C2CC2)CC1 ZINC000123934713 622788310 /nfs/dbraw/zinc/78/83/10/622788310.db2.gz PTJQFRARZSCPLC-UHFFFAOYSA-N 0 0 314.429 3.260 20 10 DGCDRN CN(C)c1ccc(CNc2nnc(CC(F)(F)F)s2)cc1 ZINC000771756007 622794223 /nfs/dbraw/zinc/79/42/23/622794223.db2.gz CVUDOFJFTNZHLN-UHFFFAOYSA-N 0 0 316.352 3.321 20 10 DGCDRN c1cnc2nccc(NCc3ccc(N4CCOCC4)cc3)c2c1 ZINC000872419362 622911022 /nfs/dbraw/zinc/91/10/22/622911022.db2.gz FWFMRPBEFXUGCF-UHFFFAOYSA-N 0 0 320.396 3.079 20 10 DGCDRN Cc1ccc2c(c1)CCN(C(=O)NCc1ccc(N(C)C)cc1)C2 ZINC000790120211 625605156 /nfs/dbraw/zinc/60/51/56/625605156.db2.gz NSCSPEDMTGYBTF-UHFFFAOYSA-N 0 0 323.440 3.329 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCc1cccc2cccnc21 ZINC000772773104 622937198 /nfs/dbraw/zinc/93/71/98/622937198.db2.gz BISXZQZEZAUBFR-CLFYSBASSA-N 0 0 321.332 3.403 20 10 DGCDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(N(C)C)cc1 ZINC000773008066 622964937 /nfs/dbraw/zinc/96/49/37/622964937.db2.gz BOBVVXBTYKFFRX-SNVBAGLBSA-N 0 0 319.386 3.213 20 10 DGCDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(N(C)C)cc1 ZINC000773008065 622965383 /nfs/dbraw/zinc/96/53/83/622965383.db2.gz BOBVVXBTYKFFRX-JTQLQIEISA-N 0 0 319.386 3.213 20 10 DGCDRN CCc1nc(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000773013033 622967386 /nfs/dbraw/zinc/96/73/86/622967386.db2.gz ZCMYMMBEFPSUAZ-GFCCVEGCSA-N 0 0 317.458 3.191 20 10 DGCDRN Cc1nc(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)s1 ZINC000773016820 622968299 /nfs/dbraw/zinc/96/82/99/622968299.db2.gz CAMYPVXWEOQJBT-NSHDSACASA-N 0 0 317.458 3.246 20 10 DGCDRN C[C@H](NC(=O)C1=Cc2ccccc2OC1)c1ccc(N(C)C)cc1 ZINC000773017969 622968384 /nfs/dbraw/zinc/96/83/84/622968384.db2.gz JPUCFKKZOUEVBP-AWEZNQCLSA-N 0 0 322.408 3.406 20 10 DGCDRN C[C@H](NC(=O)C1(C(F)(F)F)CC1)c1ccc(N(C)C)cc1 ZINC000773015486 622968401 /nfs/dbraw/zinc/96/84/01/622968401.db2.gz PADPTSGKUPFGBJ-JTQLQIEISA-N 0 0 300.324 3.272 20 10 DGCDRN CC(C)CCO[C@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773017655 622968412 /nfs/dbraw/zinc/96/84/12/622968412.db2.gz IBSKEBQBNRUDDP-HUUCEWRRSA-N 0 0 306.450 3.381 20 10 DGCDRN CCO[C@H](CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000773023386 622969358 /nfs/dbraw/zinc/96/93/58/622969358.db2.gz XGDQHRQHLXKRIV-WMLDXEAASA-N 0 0 306.450 3.381 20 10 DGCDRN C[C@@H](NC(=O)Cc1ccc(F)cc1F)c1ccc(N(C)C)cc1 ZINC000773026614 622969841 /nfs/dbraw/zinc/96/98/41/622969841.db2.gz SOENEXHDIQEXNH-GFCCVEGCSA-N 0 0 318.367 3.451 20 10 DGCDRN C[C@H](NS(=O)(=O)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000773085999 622980972 /nfs/dbraw/zinc/98/09/72/622980972.db2.gz BAQMKKYJSQZFNK-ZDUSSCGKSA-N 0 0 310.463 3.066 20 10 DGCDRN CCC[C@H](C)CS(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773087197 622981051 /nfs/dbraw/zinc/98/10/51/622981051.db2.gz GYEGWNPEGCMEGA-UONOGXRCSA-N 0 0 312.479 3.169 20 10 DGCDRN Cc1ccc(CCNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000773196857 622998171 /nfs/dbraw/zinc/99/81/71/622998171.db2.gz GNYGTGPSASZSOJ-CQSZACIVSA-N 0 0 315.417 3.257 20 10 DGCDRN CCCC[C@@H](COC)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773305966 623011046 /nfs/dbraw/zinc/01/10/46/623011046.db2.gz LSSGIPWECQPHIX-HOCLYGCPSA-N 0 0 321.465 3.318 20 10 DGCDRN CS[C@@H](C)CCC(=O)NCCCSc1nccs1 ZINC000773382967 623019784 /nfs/dbraw/zinc/01/97/84/623019784.db2.gz MEEBEDZPPIHEDB-JTQLQIEISA-N 0 0 304.506 3.273 20 10 DGCDRN C[C@@H](NC(=O)NCC1(C2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000773412634 623024185 /nfs/dbraw/zinc/02/41/85/623024185.db2.gz AYIMGDWIDJPYNO-CYBMUJFWSA-N 0 0 301.434 3.303 20 10 DGCDRN CCCOc1ccc(CNCc2ccc(C(=O)OC)o2)cc1C ZINC000873050693 623025280 /nfs/dbraw/zinc/02/52/80/623025280.db2.gz PVZRQSDOKIPXIX-UHFFFAOYSA-N 0 0 317.385 3.453 20 10 DGCDRN C[C@@H](NC(=O)NC1C[C@@H](C)O[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773428305 623025609 /nfs/dbraw/zinc/02/56/09/623025609.db2.gz LMAQTHDGZMZYLX-MGPQQGTHSA-N 0 0 319.449 3.069 20 10 DGCDRN CC(C)OCCCCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773438935 623027030 /nfs/dbraw/zinc/02/70/30/623027030.db2.gz GOAWECFOIBLKNX-OAHLLOKOSA-N 0 0 321.465 3.318 20 10 DGCDRN C[C@H](NC(=O)NCC[C@H]1CCCCO1)c1ccc(N(C)C)cc1 ZINC000773436843 623027087 /nfs/dbraw/zinc/02/70/87/623027087.db2.gz SEJVIXBLCSAJKX-WMLDXEAASA-N 0 0 319.449 3.072 20 10 DGCDRN CCCOc1ccc(CN[C@H](c2nncn2C)C(C)C)cc1C ZINC000873126601 623041887 /nfs/dbraw/zinc/04/18/87/623041887.db2.gz UZUPFVVGWDRWAM-KRWDZBQOSA-N 0 0 316.449 3.399 20 10 DGCDRN CC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCS1 ZINC000773613054 623050514 /nfs/dbraw/zinc/05/05/14/623050514.db2.gz OUMHCXIILIBUOL-CZUORRHYSA-N 0 0 321.490 3.351 20 10 DGCDRN C[C@@H](NC(=O)N1CCSC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000773610931 623050822 /nfs/dbraw/zinc/05/08/22/623050822.db2.gz MXISHXVESCQYCF-CYBMUJFWSA-N 0 0 321.490 3.351 20 10 DGCDRN CCC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000773614555 623051382 /nfs/dbraw/zinc/05/13/82/623051382.db2.gz ANISIEGCVJPZKU-WMLDXEAASA-N 0 0 319.449 3.024 20 10 DGCDRN C[C@@H](NC(=O)N(C)Cc1ccoc1)c1ccc(N(C)C)cc1 ZINC000773615333 623051842 /nfs/dbraw/zinc/05/18/42/623051842.db2.gz WANXSHPIMSCSPY-CYBMUJFWSA-N 0 0 301.390 3.248 20 10 DGCDRN C[C@@H](NC(=O)NC[C@@H]1CCCCS1)c1ccc(N(C)C)cc1 ZINC000773626112 623053036 /nfs/dbraw/zinc/05/30/36/623053036.db2.gz MFXKRLTVMREBLA-CJNGLKHVSA-N 0 0 321.490 3.399 20 10 DGCDRN CCOC1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000773631827 623054224 /nfs/dbraw/zinc/05/42/24/623054224.db2.gz YKGAFXVFUMFWKU-AWEZNQCLSA-N 0 0 319.449 3.024 20 10 DGCDRN Cc1ccc(F)c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1F ZINC000773749649 623067563 /nfs/dbraw/zinc/06/75/63/623067563.db2.gz SCZCBTDUYINZKN-JTQLQIEISA-N 0 0 321.323 3.045 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCc1ccsc1 ZINC000773763334 623069685 /nfs/dbraw/zinc/06/96/85/623069685.db2.gz TUGOXEJVJKZLLP-GFCCVEGCSA-N 0 0 319.426 3.229 20 10 DGCDRN CCN(C)c1ccc(CN2CCO[C@H](c3ccco3)C2)cc1 ZINC000773765805 623070944 /nfs/dbraw/zinc/07/09/44/623070944.db2.gz NNNAZBRTMNHRIS-SFHVURJKSA-N 0 0 300.402 3.309 20 10 DGCDRN CC(C)(C(=O)NCc1ccc(N2CCCC2)cc1)c1ccccn1 ZINC000773784058 623073297 /nfs/dbraw/zinc/07/32/97/623073297.db2.gz CUOLLGHIGHTETF-UHFFFAOYSA-N 0 0 323.440 3.276 20 10 DGCDRN CCC(C)(C)NC(=S)NCc1ccc(N2CC=CC2)cc1 ZINC000774183164 623117563 /nfs/dbraw/zinc/11/75/63/623117563.db2.gz MKORWZSTOFAYMT-UHFFFAOYSA-N 0 0 303.475 3.216 20 10 DGCDRN C[C@@H]([NH2+]CCc1cnccn1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774271362 623126895 /nfs/dbraw/zinc/12/68/95/623126895.db2.gz IZOFBMJBOQIQCC-SECBINFHSA-N 0 0 312.200 3.382 20 10 DGCDRN CC[C@H](O)CCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000124554364 623158900 /nfs/dbraw/zinc/15/89/00/623158900.db2.gz AYWAZFHWTRVVHE-INIZCTEOSA-N 0 0 318.392 3.124 20 10 DGCDRN CCCCN1CC(=O)N[C@H]1c1cc(Cl)c2ccccc2c1O ZINC000774546965 623160052 /nfs/dbraw/zinc/16/00/52/623160052.db2.gz JTJCAICZFLYIED-QGZVFWFLSA-N 0 0 318.804 3.429 20 10 DGCDRN Oc1cccc(Cl)c1CNc1cnn(-c2ccccn2)c1 ZINC000124579578 623185723 /nfs/dbraw/zinc/18/57/23/623185723.db2.gz YEXTUPDOZDQJQK-UHFFFAOYSA-N 0 0 300.749 3.238 20 10 DGCDRN C[C@@]1(CNC(=O)NCc2ccccc2O)CCCc2ccccc21 ZINC000774765991 623188688 /nfs/dbraw/zinc/18/86/88/623188688.db2.gz PASMMNBIRZISBX-FQEVSTJZSA-N 0 0 324.424 3.486 20 10 DGCDRN COC(=O)c1cccc(COc2ccc(N3CCCC3)cc2)n1 ZINC000774824858 623196303 /nfs/dbraw/zinc/19/63/03/623196303.db2.gz CXPALGCHGVQTLX-UHFFFAOYSA-N 0 0 312.369 3.047 20 10 DGCDRN CO[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000774832146 623197289 /nfs/dbraw/zinc/19/72/89/623197289.db2.gz JGTLXNSDBPSTSP-GXFFZTMASA-N 0 0 314.223 3.059 20 10 DGCDRN COc1c([O-])c(C[NH2+]CC(C)(C)CC(C)C)ccc1[N+](=O)[O-] ZINC000775032755 623219346 /nfs/dbraw/zinc/21/93/46/623219346.db2.gz JZHWOQROTUZFKY-UHFFFAOYSA-N 0 0 310.394 3.471 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@H]2C[C@@H]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000775049111 623220604 /nfs/dbraw/zinc/22/06/04/623220604.db2.gz SNWNIHATRXKQIL-KGLIPLIRSA-N 0 0 320.389 3.367 20 10 DGCDRN COc1ccc(N(C)CCCNC(=O)OC(C)(C)C)cc1F ZINC000775054994 623222142 /nfs/dbraw/zinc/22/21/42/623222142.db2.gz FEXUMHXPVKGQED-UHFFFAOYSA-N 0 0 312.385 3.185 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CC[C@@H](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000775062535 623224708 /nfs/dbraw/zinc/22/47/08/623224708.db2.gz AYKJLDCERHFBLQ-LLVKDONJSA-N 0 0 308.378 3.177 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCc2cc(O)ccc2C1 ZINC000775173452 623237499 /nfs/dbraw/zinc/23/74/99/623237499.db2.gz RSTFQGWDEGLSRS-AWEZNQCLSA-N 0 0 303.789 3.398 20 10 DGCDRN CC(C)(C)c1cnc(SCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000775189097 623240406 /nfs/dbraw/zinc/24/04/06/623240406.db2.gz GPIIUBCPAUNBOA-TXEJJXNPSA-N 0 0 312.504 3.396 20 10 DGCDRN Cc1ccc([C@H](O)C[NH2+]Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC000775200637 623241338 /nfs/dbraw/zinc/24/13/38/623241338.db2.gz NIJVYFARHOMOBY-OAHLLOKOSA-N 0 0 309.768 3.316 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(OC(C)C)CCC1 ZINC000874230744 623249960 /nfs/dbraw/zinc/24/99/60/623249960.db2.gz FHRCTMLKZPKZDL-UHFFFAOYSA-N 0 0 318.461 3.449 20 10 DGCDRN CN(C(=O)c1ccc(N=NC(N)=O)cc1)C(C1CC1)C1CC1 ZINC000874255534 623253376 /nfs/dbraw/zinc/25/33/76/623253376.db2.gz HOUOBTMKPLSWCO-UHFFFAOYSA-N 0 0 300.362 3.110 20 10 DGCDRN Cc1ccccc1-n1nccc1NC(=O)NCc1ccccc1O ZINC000775370381 623261478 /nfs/dbraw/zinc/26/14/78/623261478.db2.gz UUOFOLPGXMUGKG-UHFFFAOYSA-N 0 0 322.368 3.208 20 10 DGCDRN Cc1ccc(C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775402586 623269699 /nfs/dbraw/zinc/26/96/99/623269699.db2.gz HTWKLZFOUFQXOZ-CQSZACIVSA-N 0 0 310.397 3.121 20 10 DGCDRN CC(=O)c1cccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775404568 623269809 /nfs/dbraw/zinc/26/98/09/623269809.db2.gz OBFPPIIHDBXDFW-CYBMUJFWSA-N 0 0 310.397 3.446 20 10 DGCDRN C[C@@H](NC(=O)/C=C\c1cncc(F)c1)c1ccc(N(C)C)cc1 ZINC000775402766 623269849 /nfs/dbraw/zinc/26/98/49/623269849.db2.gz CJCJEEPRZJMHRF-VVOKDJNJSA-N 0 0 313.376 3.177 20 10 DGCDRN CNc1snc(C)c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775406898 623270674 /nfs/dbraw/zinc/27/06/74/623270674.db2.gz PYVHXRJTYPBMFS-SNVBAGLBSA-N 0 0 318.446 3.050 20 10 DGCDRN C[C@@H](NC(=O)c1ccnc(Cl)c1F)c1ccc(N(C)C)cc1 ZINC000775412528 623272163 /nfs/dbraw/zinc/27/21/63/623272163.db2.gz YLQIXHFHLHLBHJ-SNVBAGLBSA-N 0 0 321.783 3.431 20 10 DGCDRN CCCn1nccc1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775432639 623274044 /nfs/dbraw/zinc/27/40/44/623274044.db2.gz KTHVBOSCHHWBNP-CYBMUJFWSA-N 0 0 315.421 3.242 20 10 DGCDRN Cc1nnc(NCc2ccc(N3CCC(C)CC3)cc2)nc1C ZINC000775474523 623278124 /nfs/dbraw/zinc/27/81/24/623278124.db2.gz PPQSMDNOEGYPOC-UHFFFAOYSA-N 0 0 311.433 3.337 20 10 DGCDRN C[C@H](NC(=O)Nc1ccc2nccn2c1)c1ccc(N(C)C)cc1 ZINC000775637774 623300346 /nfs/dbraw/zinc/30/03/46/623300346.db2.gz XRAWQTSTPKWVRI-ZDUSSCGKSA-N 0 0 323.400 3.283 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000775674437 623310839 /nfs/dbraw/zinc/31/08/39/623310839.db2.gz ARMWVOJQXXOQMM-CYBMUJFWSA-N 0 0 309.772 3.218 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000775714436 623318312 /nfs/dbraw/zinc/31/83/12/623318312.db2.gz PGFQVEHPRBKJFQ-GFCCVEGCSA-N 0 0 312.816 3.102 20 10 DGCDRN CCN(C(=O)/C=C\c1cnc(OC)nc1)c1cccc(Cl)c1 ZINC000775782103 623331576 /nfs/dbraw/zinc/33/15/76/623331576.db2.gz AXMHZWDFLXROOG-FPLPWBNLSA-N 0 0 317.776 3.205 20 10 DGCDRN CCN(C(=O)/C=C\c1cnc(OC)nc1)c1cc(C)cc(C)c1 ZINC000775782193 623331678 /nfs/dbraw/zinc/33/16/78/623331678.db2.gz DGCICVHXMVQQTH-SREVYHEPSA-N 0 0 311.385 3.168 20 10 DGCDRN COc1ncc(/C=C\C(=O)N2CC[C@@H](C)c3ccccc32)cn1 ZINC000775799708 623333947 /nfs/dbraw/zinc/33/39/47/623333947.db2.gz MBBGXKOLGYKTLY-MEJMFZKBSA-N 0 0 309.369 3.039 20 10 DGCDRN C[C@@H](NCc1nc(C(C)(C)C)no1)c1ccc(N(C)C)cc1 ZINC000775833245 623339593 /nfs/dbraw/zinc/33/95/93/623339593.db2.gz AEPROLFHWLCBEO-GFCCVEGCSA-N 0 0 302.422 3.284 20 10 DGCDRN C[C@H](NCc1nc(-c2ccoc2)no1)c1ccc(N(C)C)cc1 ZINC000775834912 623339685 /nfs/dbraw/zinc/33/96/85/623339685.db2.gz VUWRXBSUZAJKFT-LBPRGKRZSA-N 0 0 312.373 3.246 20 10 DGCDRN CCCCc1noc(CN[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775834068 623339813 /nfs/dbraw/zinc/33/98/13/623339813.db2.gz OZGDNIBGGAHSDQ-CYBMUJFWSA-N 0 0 302.422 3.329 20 10 DGCDRN C[C@H](CN1CCCCC1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000775972266 623359587 /nfs/dbraw/zinc/35/95/87/623359587.db2.gz MUOFZLBWIBHAEK-LLVKDONJSA-N 0 0 300.805 3.149 20 10 DGCDRN CCCC[C@@H](NCc1ccc(N2CCCCC2)cc1)C(=O)OC ZINC000775980376 623360179 /nfs/dbraw/zinc/36/01/79/623360179.db2.gz QPKCZEAYAYQJBR-GOSISDBHSA-N 0 0 318.461 3.498 20 10 DGCDRN C[C@@](O)(C[NH2+]Cc1cc(Cl)cc(F)c1[O-])c1cccs1 ZINC000776209108 623396964 /nfs/dbraw/zinc/39/69/64/623396964.db2.gz MUEXRBHRVFHABB-CQSZACIVSA-N 0 0 315.797 3.244 20 10 DGCDRN CCCN(CC(C)(C)O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776238304 623401082 /nfs/dbraw/zinc/40/10/82/623401082.db2.gz ISZUJTURXWJWGG-AWEZNQCLSA-N 0 0 321.465 3.006 20 10 DGCDRN Oc1cccc(Cl)c1CNc1ccn(Cc2ccncc2)n1 ZINC000776249500 623401499 /nfs/dbraw/zinc/40/14/99/623401499.db2.gz ZZIJMNGJHDPSSY-UHFFFAOYSA-N 0 0 314.776 3.298 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000776252743 623401523 /nfs/dbraw/zinc/40/15/23/623401523.db2.gz XDOLTTJGUHGZKS-QGZVFWFLSA-N 0 0 321.779 3.108 20 10 DGCDRN O=C(NOCCO)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000776295682 623408388 /nfs/dbraw/zinc/40/83/88/623408388.db2.gz MXBUTJRTQXDHSI-UHFFFAOYSA-N 0 0 300.318 3.147 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)[C@H]3CC[C@@H](C)C3)CC2)cc1 ZINC000776318196 623411431 /nfs/dbraw/zinc/41/14/31/623411431.db2.gz ZQIHELBTGGULPK-CABCVRRESA-N 0 0 316.445 3.216 20 10 DGCDRN C[C@H](Cc1cccs1)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875082468 623414492 /nfs/dbraw/zinc/41/44/92/623414492.db2.gz VLTINEFJAMUWDQ-LLVKDONJSA-N 0 0 302.399 3.110 20 10 DGCDRN CC(C)(CNC(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000875084783 623414985 /nfs/dbraw/zinc/41/49/85/623414985.db2.gz KCORRFSCUUGZEE-UHFFFAOYSA-N 0 0 310.397 3.395 20 10 DGCDRN Cc1ccccc1C1(CNC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000875213220 623427309 /nfs/dbraw/zinc/42/73/09/623427309.db2.gz NZHINLQPLCUREE-UHFFFAOYSA-N 0 0 322.408 3.458 20 10 DGCDRN CCc1nc([C@@H](C)NC(=O)N2Cc3cccc(O)c3C2)cs1 ZINC000875271232 623433076 /nfs/dbraw/zinc/43/30/76/623433076.db2.gz RRGFRRABBCYTGW-SNVBAGLBSA-N 0 0 317.414 3.198 20 10 DGCDRN O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)N1Cc2cccc(O)c2C1 ZINC000875401948 623446508 /nfs/dbraw/zinc/44/65/08/623446508.db2.gz LLEDPMJKJPRBOH-AYOQOUSVSA-N 0 0 320.392 3.146 20 10 DGCDRN CC(C)C[C@@H]1C[C@H](NC(=O)N2Cc3cccc(O)c3C2)CCO1 ZINC000875462670 623452865 /nfs/dbraw/zinc/45/28/65/623452865.db2.gz XNCIZYLMVZZZCB-HUUCEWRRSA-N 0 0 318.417 3.011 20 10 DGCDRN C[C@H](NC(=O)N[C@@]12C[C@@H]1CCCC2)c1ccc(N(C)C)cc1 ZINC000875507829 623457662 /nfs/dbraw/zinc/45/76/62/623457662.db2.gz LBMNPDJYYJXXJU-YEWWUXTCSA-N 0 0 301.434 3.446 20 10 DGCDRN O=C(NCCCc1ccccc1F)N1Cc2cccc(O)c2C1 ZINC000875550964 623463835 /nfs/dbraw/zinc/46/38/35/623463835.db2.gz HLAQCRWYAVGECG-UHFFFAOYSA-N 0 0 314.360 3.189 20 10 DGCDRN O=C(NC[C@@H]1C[C@H]1c1ccccc1)N1Cc2cccc(O)c2C1 ZINC000875623379 623471874 /nfs/dbraw/zinc/47/18/74/623471874.db2.gz VGGJZENJAWWBDL-HOTGVXAUSA-N 0 0 308.381 3.221 20 10 DGCDRN C[C@]1(CNC(=O)N2Cc3cccc(O)c3C2)CC1(Cl)Cl ZINC000875639853 623474500 /nfs/dbraw/zinc/47/45/00/623474500.db2.gz OTQIYCWXAAOPLQ-CYBMUJFWSA-N 0 0 315.200 3.001 20 10 DGCDRN CS[C@@H]1CCCC[C@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000875692760 623481661 /nfs/dbraw/zinc/48/16/61/623481661.db2.gz OGXOTZVYCMJXJR-UKRRQHHQSA-N 0 0 306.431 3.092 20 10 DGCDRN O=C(N[C@H]1C[C@H](Oc2ccccc2)C1)N1Cc2cccc(O)c2C1 ZINC000875739223 623486425 /nfs/dbraw/zinc/48/64/25/623486425.db2.gz YGOVAFPPBVZFEW-KOMQPUFPSA-N 0 0 324.380 3.027 20 10 DGCDRN CCCC1(CNC(=O)N[C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000125579346 623490779 /nfs/dbraw/zinc/49/07/79/623490779.db2.gz XPDKMQPRYBNBPL-LBPRGKRZSA-N 0 0 306.406 3.341 20 10 DGCDRN Cc1cc(C(=O)OCCc2ccoc2)c(C)n1-c1ccccn1 ZINC000777379204 623518022 /nfs/dbraw/zinc/51/80/22/623518022.db2.gz GZFNXWNUZLRWEK-UHFFFAOYSA-N 0 0 310.353 3.482 20 10 DGCDRN Oc1c(F)cc(Cl)cc1CNc1cnc2c(c1)COCC2 ZINC000777441926 623525930 /nfs/dbraw/zinc/52/59/30/623525930.db2.gz PMUJFQPDQRRSCU-UHFFFAOYSA-N 0 0 308.740 3.265 20 10 DGCDRN Cc1cc(Cl)cc(CNc2ccc3c(c2)oc(=O)n3C)c1O ZINC000777497117 623532432 /nfs/dbraw/zinc/53/24/32/623532432.db2.gz UPJKPRYDKVCWJO-UHFFFAOYSA-N 0 0 318.760 3.411 20 10 DGCDRN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)cc(Cl)n1 ZINC000125753774 623540908 /nfs/dbraw/zinc/54/09/08/623540908.db2.gz HFRPQHYXBXPWLG-UHFFFAOYSA-N 0 0 303.793 3.039 20 10 DGCDRN C[C@H](NC(=O)NC[C@H]1CCC(C)(C)O1)c1ccc(N(C)C)cc1 ZINC000777637173 623550539 /nfs/dbraw/zinc/55/05/39/623550539.db2.gz HAAFAIJASFRGCM-XJKSGUPXSA-N 0 0 319.449 3.070 20 10 DGCDRN Cc1cnccc1CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000777638650 623551274 /nfs/dbraw/zinc/55/12/74/623551274.db2.gz XAGXWMRNZBCXTL-CQSZACIVSA-N 0 0 312.417 3.016 20 10 DGCDRN COc1cccc(O)c1CNc1cccc2c1OCC[C@@H]2OC ZINC000790486549 625660268 /nfs/dbraw/zinc/66/02/68/625660268.db2.gz QFPYNYDVQHUDDY-KRWDZBQOSA-N 0 0 315.369 3.483 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCCC(C)(C)COC ZINC000876325526 623585653 /nfs/dbraw/zinc/58/56/53/623585653.db2.gz SRUFFCYAUWDYOR-UHFFFAOYSA-N 0 0 322.449 3.377 20 10 DGCDRN Oc1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CCn2ccnc2C1 ZINC000778188743 623622249 /nfs/dbraw/zinc/62/22/49/623622249.db2.gz INGMDFADSUHGQH-GOSISDBHSA-N 0 0 319.408 3.360 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCn2ccnc2C1 ZINC000778190020 623622351 /nfs/dbraw/zinc/62/23/51/623622351.db2.gz USDLYOYZHKWBAI-LLVKDONJSA-N 0 0 312.200 3.000 20 10 DGCDRN CC(C)(C)OCC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000778249774 623632292 /nfs/dbraw/zinc/63/22/92/623632292.db2.gz CGSHLKVCIYMXNG-UHFFFAOYSA-N 0 0 304.434 3.108 20 10 DGCDRN Oc1ccccc1CN(Cc1ccns1)C[C@@H]1CCCO1 ZINC000876532067 623635355 /nfs/dbraw/zinc/63/53/55/623635355.db2.gz XOGSGFIRORYMIG-AWEZNQCLSA-N 0 0 304.415 3.030 20 10 DGCDRN Oc1ccccc1CN(Cc1ccns1)C[C@H]1CCCO1 ZINC000876532069 623635607 /nfs/dbraw/zinc/63/56/07/623635607.db2.gz XOGSGFIRORYMIG-CQSZACIVSA-N 0 0 304.415 3.030 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc3c(c2)CCN3C)cc1 ZINC000778327515 623639756 /nfs/dbraw/zinc/63/97/56/623639756.db2.gz XRHIVSRYIBHGNR-UHFFFAOYSA-N 0 0 323.440 3.017 20 10 DGCDRN CCc1nc([C@@H]2CCCCN2Cc2ccc(C)cc2O)no1 ZINC000876628779 623663705 /nfs/dbraw/zinc/66/37/05/623663705.db2.gz VIEWRTCXAFYUOS-AWEZNQCLSA-N 0 0 301.390 3.373 20 10 DGCDRN [O-]c1c(F)c(F)ccc1C[NH+]1CCN(c2cccs2)CC1 ZINC000876771216 623702558 /nfs/dbraw/zinc/70/25/58/623702558.db2.gz OWUOWHMIMQWHSD-UHFFFAOYSA-N 0 0 310.369 3.054 20 10 DGCDRN Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000876805891 623710791 /nfs/dbraw/zinc/71/07/91/623710791.db2.gz HOHZUFHHBZAHPN-AWEZNQCLSA-N 0 0 307.344 3.049 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCc2c1cccc2Cl ZINC000778918170 623711119 /nfs/dbraw/zinc/71/11/19/623711119.db2.gz FQYCVMGBRQZVBP-CYBMUJFWSA-N 0 0 317.772 3.097 20 10 DGCDRN C[C@H]1C[C@H]1c1ccc(CCC(=O)NCc2ccc(O)c(O)c2)o1 ZINC000778926727 623712096 /nfs/dbraw/zinc/71/20/96/623712096.db2.gz FNODIFLCHMZMQY-SMDDNHRTSA-N 0 0 315.369 3.063 20 10 DGCDRN CN(C)[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])c1cccc(F)c1 ZINC000876883288 623735590 /nfs/dbraw/zinc/73/55/90/623735590.db2.gz DPDMFFMMZJLYJD-HNNXBMFYSA-N 0 0 324.346 3.202 20 10 DGCDRN CC[C@@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1cccc(Cl)c1[O-] ZINC000806148078 623748838 /nfs/dbraw/zinc/74/88/38/623748838.db2.gz QHHDYKFCJBWNPC-BXUZGUMPSA-N 0 0 324.852 3.486 20 10 DGCDRN CN(C)c1ccc(C[NH2+]Cc2ccc(F)c(F)c2[O-])cc1F ZINC000876989547 623761504 /nfs/dbraw/zinc/76/15/04/623761504.db2.gz XNGMQCYTZJPIGA-UHFFFAOYSA-N 0 0 310.319 3.165 20 10 DGCDRN C[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)Cc2ccccc21 ZINC000779489571 623774100 /nfs/dbraw/zinc/77/41/00/623774100.db2.gz QPXUCLZRJJFPTD-FNOHHLHBSA-N 0 0 309.365 3.257 20 10 DGCDRN CCN(C(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(OC)cc1 ZINC000779502327 623775813 /nfs/dbraw/zinc/77/58/13/623775813.db2.gz XZLSOBAEKSOAFR-VZUCSPMQSA-N 0 0 313.353 3.173 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N(CCc1ccccc1)C1CC1 ZINC000779507284 623775838 /nfs/dbraw/zinc/77/58/38/623775838.db2.gz YKMHEYIYIIHSFB-XFFZJAGNSA-N 0 0 323.392 3.345 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccnn1C1CCCC1 ZINC000779509755 623776014 /nfs/dbraw/zinc/77/60/14/623776014.db2.gz HSGHFYBCCRPAQU-VURMDHGXSA-N 0 0 313.357 3.061 20 10 DGCDRN Cn1ccc2c1cccc2NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779513403 623776701 /nfs/dbraw/zinc/77/67/01/623776701.db2.gz GYHUFPPUYYEOGE-SOFGYWHQSA-N 0 0 308.337 3.241 20 10 DGCDRN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779514208 623776876 /nfs/dbraw/zinc/77/68/76/623776876.db2.gz ZNIALPRYGZPPTJ-VFDMCBIDSA-N 0 0 303.402 3.442 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000779525545 623777231 /nfs/dbraw/zinc/77/72/31/623777231.db2.gz QUQKZAIUPGKNOS-BXUXQVAWSA-N 0 0 301.386 3.196 20 10 DGCDRN Cc1ccc(CC[C@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)o1 ZINC000779523447 623777277 /nfs/dbraw/zinc/77/72/77/623777277.db2.gz BZJIUMWYNHOWEP-GYGFLDJKSA-N 0 0 315.369 3.150 20 10 DGCDRN CC(C)CC1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CCC1 ZINC000779529279 623777580 /nfs/dbraw/zinc/77/75/80/623777580.db2.gz SSDWPOACKZPEBN-FNORWQNLSA-N 0 0 303.402 3.444 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC1(Cc2ccccc2)CCC1 ZINC000779532350 623777673 /nfs/dbraw/zinc/77/76/73/623777673.db2.gz NLNNBASZVUSCKJ-NTMALXAHSA-N 0 0 323.392 3.393 20 10 DGCDRN CC[C@H](C)n1nc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC000779543817 623777851 /nfs/dbraw/zinc/77/78/51/623777851.db2.gz FVEQORYVUVMLKF-IOCXFXADSA-N 0 0 315.373 3.226 20 10 DGCDRN CC[C@@H](C)n1nc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1C ZINC000779543816 623778052 /nfs/dbraw/zinc/77/80/52/623778052.db2.gz FVEQORYVUVMLKF-BPOWMSRESA-N 0 0 315.373 3.226 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(Cl)cc1O ZINC000779541773 623778230 /nfs/dbraw/zinc/77/82/30/623778230.db2.gz JVBWRNMMFLRFGL-KXFIGUGUSA-N 0 0 305.717 3.109 20 10 DGCDRN Cc1cccc([C@H]2CCCN2C(=O)/C=C\c2ccc(O)c(O)c2)n1 ZINC000779535456 623778308 /nfs/dbraw/zinc/77/83/08/623778308.db2.gz XICUQWNLUJDLSS-SIJIIQCFSA-N 0 0 324.380 3.178 20 10 DGCDRN Cn1cc([C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])C(C)(C)C)cn1 ZINC000877075237 623785176 /nfs/dbraw/zinc/78/51/76/623785176.db2.gz AXXHLUMARPMOSJ-HNNXBMFYSA-N 0 0 309.360 3.281 20 10 DGCDRN COc1ccc(C2(C(=O)N(C)c3ccc(N)cc3)CCC2)cc1 ZINC000877080115 623785896 /nfs/dbraw/zinc/78/58/96/623785896.db2.gz HAEXGQOTXXJHSF-UHFFFAOYSA-N 0 0 310.397 3.362 20 10 DGCDRN CC(C)c1ncc(Cl)c(C(=O)N(C)c2ccc(N)cc2)n1 ZINC000877078321 623786056 /nfs/dbraw/zinc/78/60/56/623786056.db2.gz LWODKZGBATXJDW-UHFFFAOYSA-N 0 0 304.781 3.112 20 10 DGCDRN CCO[C@@H](C)c1ncc(C(=O)N(C)c2ccc(N)cc2)s1 ZINC000877077772 623786087 /nfs/dbraw/zinc/78/60/87/623786087.db2.gz UGJDLPYYTOMRTM-JTQLQIEISA-N 0 0 305.403 3.099 20 10 DGCDRN CC(C)Cn1ncc(C(=O)N(C)c2ccc(N)cc2)c1C(F)F ZINC000877076965 623786121 /nfs/dbraw/zinc/78/61/21/623786121.db2.gz YUKZQUUGDXBCNJ-UHFFFAOYSA-N 0 0 322.359 3.336 20 10 DGCDRN C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N(C)c1ccc(N)cc1 ZINC000877081125 623786546 /nfs/dbraw/zinc/78/65/46/623786546.db2.gz VEIBPNKNLVDRKE-ZDUSSCGKSA-N 0 0 310.397 3.188 20 10 DGCDRN [O-]c1c(C[NH2+]C2CC[NH+](C3CCCC3)CC2)ccc(F)c1F ZINC000877083586 623787739 /nfs/dbraw/zinc/78/77/39/623787739.db2.gz NXYUFQOERJASIO-UHFFFAOYSA-N 0 0 310.388 3.167 20 10 DGCDRN COC(=O)c1cccc(NNC(=S)Nc2ccc(C)cc2)c1 ZINC000779727939 623792180 /nfs/dbraw/zinc/79/21/80/623792180.db2.gz QHKAXHQGXNCLSX-UHFFFAOYSA-N 0 0 315.398 3.095 20 10 DGCDRN C[C@@H](C[C@H](O)c1ccccc1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877127231 623797864 /nfs/dbraw/zinc/79/78/64/623797864.db2.gz BYHHIKSNWVXAEE-NHYWBVRUSA-N 0 0 307.340 3.272 20 10 DGCDRN CCOC(=O)COc1cccc(NCc2c(C)cccc2O)c1 ZINC000877169122 623814691 /nfs/dbraw/zinc/81/46/91/623814691.db2.gz HGUYDPIYDVRDMY-UHFFFAOYSA-N 0 0 315.369 3.255 20 10 DGCDRN CN(C)c1ccc(CN[C@H](c2ncc[nH]2)c2ccccc2)cc1F ZINC000126431176 623834144 /nfs/dbraw/zinc/83/41/44/623834144.db2.gz NQNGGFZNAYDTKL-SFHVURJKSA-N 0 0 324.403 3.494 20 10 DGCDRN Cc1cccc(O)c1CN1CCSC[C@@H]1c1nccs1 ZINC000877406488 623872436 /nfs/dbraw/zinc/87/24/36/623872436.db2.gz TXFHLGIRHMPYGV-CYBMUJFWSA-N 0 0 306.456 3.447 20 10 DGCDRN Cc1ccn(-c2ccc(NCc3cc4c(cc3O)OCO4)cc2)n1 ZINC000790651172 625682677 /nfs/dbraw/zinc/68/26/77/625682677.db2.gz DASIFKLWWZNTQI-UHFFFAOYSA-N 0 0 323.352 3.227 20 10 DGCDRN CC(C)n1ncc2c1C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])CC2 ZINC000877472037 623898236 /nfs/dbraw/zinc/89/82/36/623898236.db2.gz IHOLKMAPOSVDNO-CYBMUJFWSA-N 0 0 321.371 3.095 20 10 DGCDRN Cc1ccc(C(F)(F)C(=O)N(C)Cc2ccccc2O)cc1 ZINC000780380220 623919752 /nfs/dbraw/zinc/91/97/52/623919752.db2.gz RASMCKXWPQYAOG-UHFFFAOYSA-N 0 0 305.324 3.451 20 10 DGCDRN COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])c1 ZINC000877532034 623927295 /nfs/dbraw/zinc/92/72/95/623927295.db2.gz BOUKBJBRJDBBND-SECBINFHSA-N 0 0 309.312 3.235 20 10 DGCDRN COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])c1 ZINC000877532035 623927483 /nfs/dbraw/zinc/92/74/83/623927483.db2.gz BOUKBJBRJDBBND-VIFPVBQESA-N 0 0 309.312 3.235 20 10 DGCDRN COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccnn2CC2CCC2)c1 ZINC000877533041 623928876 /nfs/dbraw/zinc/92/88/76/623928876.db2.gz KBCZQQMCIOSFSN-CYBMUJFWSA-N 0 0 315.417 3.248 20 10 DGCDRN OC1CCN(c2ccc(CNC3(C(F)F)CCCC3)cc2)CC1 ZINC000877536586 623931595 /nfs/dbraw/zinc/93/15/95/623931595.db2.gz WIIHNPYTVQNYES-UHFFFAOYSA-N 0 0 324.415 3.315 20 10 DGCDRN COCc1cc(NCc2ccc(C)cc2O)cc(C(=O)OC)c1 ZINC000877545555 623935645 /nfs/dbraw/zinc/93/56/45/623935645.db2.gz IIAQDJMTMZMSSZ-UHFFFAOYSA-N 0 0 315.369 3.246 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@@](C)(O)c1ccccc1 ZINC000877610249 623961406 /nfs/dbraw/zinc/96/14/06/623961406.db2.gz MPJPRIZKIZMQIM-APPDUMDISA-N 0 0 307.340 3.056 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@@](C)(O)c1ccccc1 ZINC000877610255 623961422 /nfs/dbraw/zinc/96/14/22/623961422.db2.gz MPJPRIZKIZMQIM-PIGZYNQJSA-N 0 0 307.340 3.056 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@@H](C(C)C)C2)cc1OC ZINC000780638322 623962897 /nfs/dbraw/zinc/96/28/97/623962897.db2.gz AHMGRAZTOKYSND-GFCCVEGCSA-N 0 0 308.378 3.484 20 10 DGCDRN CCOc1ccc(CN(C)c2ccc3c(c2)OCO3)cc1OC ZINC000780778965 623982288 /nfs/dbraw/zinc/98/22/88/623982288.db2.gz YWGKEJVEJCKIJC-UHFFFAOYSA-N 0 0 315.369 3.459 20 10 DGCDRN COc1ccc(N(C)Cc2c(C)nc3sc(C)nn23)cc1F ZINC000780779510 623982519 /nfs/dbraw/zinc/98/25/19/623982519.db2.gz INUXMARPZRFQMS-UHFFFAOYSA-N 0 0 320.393 3.192 20 10 DGCDRN CCN(CC)c1ncc(CN(C)c2ccc3c(c2)OCO3)s1 ZINC000780778828 623982534 /nfs/dbraw/zinc/98/25/34/623982534.db2.gz SZIUJZNYIBVHMC-UHFFFAOYSA-N 0 0 319.430 3.354 20 10 DGCDRN O=S(=O)(Nc1ccc(O)cc1F)C1=Cc2ccccc2CC1 ZINC000780838002 623989243 /nfs/dbraw/zinc/98/92/43/623989243.db2.gz OPBAENHWAUTPHB-UHFFFAOYSA-N 0 0 319.357 3.260 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H](c2cccs2)C2CC2)c(O)c1O ZINC000780863564 623991451 /nfs/dbraw/zinc/99/14/51/623991451.db2.gz RUZGRMUQEXCGNL-CYBMUJFWSA-N 0 0 303.383 3.349 20 10 DGCDRN COc1cc(Cl)cc(CNc2cnn3c2CCCC3)c1O ZINC000877692906 623994069 /nfs/dbraw/zinc/99/40/69/623994069.db2.gz YYEXBOLSMKJLQW-UHFFFAOYSA-N 0 0 307.781 3.199 20 10 DGCDRN O=C(Nc1cc(-c2ccccc2)ns1)c1cccc(O)c1O ZINC000790731078 625690825 /nfs/dbraw/zinc/69/08/25/625690825.db2.gz YZJAXDIYJTYSIF-UHFFFAOYSA-N 0 0 312.350 3.474 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccnn2C2CCCCC2)c(O)c1O ZINC000780922983 623999242 /nfs/dbraw/zinc/99/92/42/623999242.db2.gz MSCCUXPRLCQKAN-UHFFFAOYSA-N 0 0 315.373 3.360 20 10 DGCDRN CC(C)n1ncc2cc(NC(=O)c3cccc(O)c3O)ccc21 ZINC000790742198 625691190 /nfs/dbraw/zinc/69/11/90/625691190.db2.gz UAKXHGHJLRACRR-UHFFFAOYSA-N 0 0 311.341 3.281 20 10 DGCDRN CSc1cc(C)ccc1CNC(=O)c1ccc(C)c(O)c1O ZINC000780966363 624005633 /nfs/dbraw/zinc/00/56/33/624005633.db2.gz DGZNFZQAWHDQFY-UHFFFAOYSA-N 0 0 317.410 3.367 20 10 DGCDRN COc1cc(Cl)cc(C[NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)c1O ZINC000877807521 624040442 /nfs/dbraw/zinc/04/04/42/624040442.db2.gz WTYDTUGKJOBCJA-SWHYSGLUSA-N 0 0 311.809 3.101 20 10 DGCDRN CC[C@@H](C)n1ncc(C(=O)N(C)Cc2ccccc2O)c1C ZINC000790772466 625695506 /nfs/dbraw/zinc/69/55/06/625695506.db2.gz MBQLGFQBGCZMTB-GFCCVEGCSA-N 0 0 301.390 3.140 20 10 DGCDRN COc1cccc2c1O[C@@H](c1cc(Cl)c(F)cc1O)NC2=O ZINC000877842358 624066049 /nfs/dbraw/zinc/06/60/49/624066049.db2.gz HQHBMQOHDQSUHY-HNNXBMFYSA-N 0 0 323.707 3.014 20 10 DGCDRN C[C@H]1CC[C@]2(CCN(C(=O)NCc3ccc(N(C)C)cc3)C2)C1 ZINC000781610062 624104221 /nfs/dbraw/zinc/10/42/21/624104221.db2.gz QYJSXZALQUSLOG-KXBFYZLASA-N 0 0 315.461 3.474 20 10 DGCDRN CCC(O)(CC)C[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000781628111 624108886 /nfs/dbraw/zinc/10/88/86/624108886.db2.gz IXRPEXWJTJPVKL-UHFFFAOYSA-N 0 0 316.239 3.104 20 10 DGCDRN CC[C@@H]1C[C@@H](CC(=O)NCc2ccc(N(C)C)cc2C)CCO1 ZINC000781642490 624113386 /nfs/dbraw/zinc/11/33/86/624113386.db2.gz QZOIDPFXUPKHMH-MAUKXSAKSA-N 0 0 318.461 3.273 20 10 DGCDRN CC[C@H]1C[C@@H](CC(=O)NCc2ccc(N(C)C)cc2C)CCO1 ZINC000781642492 624113431 /nfs/dbraw/zinc/11/34/31/624113431.db2.gz QZOIDPFXUPKHMH-YJBOKZPZSA-N 0 0 318.461 3.273 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc2cc[nH]c2c1 ZINC000878008983 624133247 /nfs/dbraw/zinc/13/32/47/624133247.db2.gz RAYKBLFRYKJVMS-UHFFFAOYSA-N 0 0 322.412 3.291 20 10 DGCDRN CCCCC[N@H+](CCO)Cc1cccc(Br)c1[O-] ZINC000126884923 624163003 /nfs/dbraw/zinc/16/30/03/624163003.db2.gz LIAJBNHOAKKRQJ-UHFFFAOYSA-N 0 0 316.239 3.139 20 10 DGCDRN COC(C)(C)C[N@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC000781909022 624170312 /nfs/dbraw/zinc/17/03/12/624170312.db2.gz OCIUNCVHYLSYPN-UHFFFAOYSA-N 0 0 316.239 3.320 20 10 DGCDRN Cc1cc(Br)c(O)c(CN2CCO[C@H](C)[C@@H]2C)c1 ZINC000781908690 624170429 /nfs/dbraw/zinc/17/04/29/624170429.db2.gz KXKKEUVQFXMZSF-WDEREUQCSA-N 0 0 314.223 3.072 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cnc2cc[nH]c2c1 ZINC000878219434 624219230 /nfs/dbraw/zinc/21/92/30/624219230.db2.gz LBYMUSQCBRBMCW-UHFFFAOYSA-N 0 0 320.396 3.093 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1c[nH]cc1C1CC1 ZINC000878218874 624219328 /nfs/dbraw/zinc/21/93/28/624219328.db2.gz BHGWMPKMAYGYDF-UHFFFAOYSA-N 0 0 309.413 3.422 20 10 DGCDRN C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)[C@H]2CCCC[C@@H]12 ZINC000782252161 624227437 /nfs/dbraw/zinc/22/74/37/624227437.db2.gz VHVFVTJFGQMIHY-JLSDUUJJSA-N 0 0 315.461 3.473 20 10 DGCDRN CCc1noc(CSc2ncc(-c3ccccc3)n2C)n1 ZINC000022751136 624295359 /nfs/dbraw/zinc/29/53/59/624295359.db2.gz ZXQYTLWLORAKFA-UHFFFAOYSA-N 0 0 300.387 3.325 20 10 DGCDRN COC(=O)CCCOC(=O)c1sccc1-n1c(C)ccc1C ZINC000783129870 624312846 /nfs/dbraw/zinc/31/28/46/624312846.db2.gz ZMIURBMORSVNMF-UHFFFAOYSA-N 0 0 321.398 3.266 20 10 DGCDRN CC[C@@H](CSc1ccccc1)NC(=O)c1cccc(O)c1O ZINC000790904248 625713632 /nfs/dbraw/zinc/71/36/32/625713632.db2.gz STEFYGHARSYPDY-LBPRGKRZSA-N 0 0 317.410 3.399 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCCS1 ZINC000127293806 624347258 /nfs/dbraw/zinc/34/72/58/624347258.db2.gz BLHRUKFTDCKYCE-CQSZACIVSA-N 0 0 308.447 3.209 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)CC[C@H]2CC(C)(C)CO2)c1 ZINC000878730597 624349449 /nfs/dbraw/zinc/34/94/49/624349449.db2.gz MOAFIKVQUZASHV-JSGCOSHPSA-N 0 0 321.417 3.173 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H]2CCC(C)(C)CO2)c1 ZINC000878731214 624350422 /nfs/dbraw/zinc/35/04/22/624350422.db2.gz ZMIXGHSMIAAAGN-OCCSQVGLSA-N 0 0 321.417 3.173 20 10 DGCDRN Cc1cc([C@H](NC(=O)c2cccc(O)c2O)C2CC2)ccc1F ZINC000790906366 625714012 /nfs/dbraw/zinc/71/40/12/625714012.db2.gz YVZFKJMFYVWTMG-MRXNPFEDSA-N 0 0 315.344 3.426 20 10 DGCDRN Cc1coc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000878781155 624358307 /nfs/dbraw/zinc/35/83/07/624358307.db2.gz WDXVMRVHDIJFLW-HNNXBMFYSA-N 0 0 315.369 3.115 20 10 DGCDRN COc1ccc(N(C)Cc2c(C)cc(C)nc2OC)c(OC)c1 ZINC000805748014 624373611 /nfs/dbraw/zinc/37/36/11/624373611.db2.gz KWFVRJCMHOGLCH-UHFFFAOYSA-N 0 0 316.401 3.361 20 10 DGCDRN CCn1nc(NC(=O)N[C@H](C)c2ccccc2O)cc1C1CC1 ZINC000878882856 624379375 /nfs/dbraw/zinc/37/93/75/624379375.db2.gz OIJZMBOZYYCZMJ-LLVKDONJSA-N 0 0 314.389 3.369 20 10 DGCDRN CSCc1cccc(CNC(=O)c2ccc(C)c(O)c2O)c1 ZINC000783824296 624398783 /nfs/dbraw/zinc/39/87/83/624398783.db2.gz JEQNZDQZRWOSEZ-UHFFFAOYSA-N 0 0 317.410 3.199 20 10 DGCDRN Cc1ccc(SC[C@H](C)NC(=O)c2cccc(O)c2O)cc1 ZINC000790936451 625718654 /nfs/dbraw/zinc/71/86/54/625718654.db2.gz DFCDSJVZWADONX-LBPRGKRZSA-N 0 0 317.410 3.317 20 10 DGCDRN Cc1cc(NCc2ccccc2O)ccc1-n1nnnc1C(C)C ZINC000784637846 624563625 /nfs/dbraw/zinc/56/36/25/624563625.db2.gz HRSVYLWXAWEQEG-UHFFFAOYSA-N 0 0 323.400 3.412 20 10 DGCDRN Cc1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c(Cl)c1 ZINC000784954958 624604592 /nfs/dbraw/zinc/60/45/92/624604592.db2.gz AXHZOAPBOLBDKT-UHFFFAOYSA-N 0 0 320.728 3.099 20 10 DGCDRN Cc1ccc(O)c(CNc2cc(N3CCNC3=O)ccc2C)c1 ZINC000785547292 624684217 /nfs/dbraw/zinc/68/42/17/624684217.db2.gz MIRVXIYZVMVTTE-UHFFFAOYSA-N 0 0 311.385 3.151 20 10 DGCDRN Cc1ccc(O)c(CNc2ccc(C)c(N3CCNC3=O)c2)c1 ZINC000785552701 624685319 /nfs/dbraw/zinc/68/53/19/624685319.db2.gz KPANQRCAWODONB-UHFFFAOYSA-N 0 0 311.385 3.151 20 10 DGCDRN CC[C@@]1(C)CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000785585955 624692110 /nfs/dbraw/zinc/69/21/10/624692110.db2.gz SQQLQOWJIUELFM-KDOFPFPSSA-N 0 0 319.449 3.024 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cccn2nccc12 ZINC000879888678 624716025 /nfs/dbraw/zinc/71/60/25/624716025.db2.gz SLBRWRYXTPWISB-UHFFFAOYSA-N 0 0 323.396 3.482 20 10 DGCDRN C[C@H](Cc1ccccc1)NC(=S)N(C)Cc1ccccc1O ZINC000786060859 624787993 /nfs/dbraw/zinc/78/79/93/624787993.db2.gz JCTGYYMQGSNXGM-CQSZACIVSA-N 0 0 314.454 3.330 20 10 DGCDRN COc1cccc(CNC(=O)Nc2cnc(Cl)c(C)c2)c1O ZINC000128257137 624824484 /nfs/dbraw/zinc/82/44/84/624824484.db2.gz OYNZVFMHNHZBJR-UHFFFAOYSA-N 0 0 321.764 3.079 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1ccc(Cl)cn1 ZINC000786332307 624852828 /nfs/dbraw/zinc/85/28/28/624852828.db2.gz UFVQITRTIDFEHH-UHFFFAOYSA-N 0 0 318.804 3.422 20 10 DGCDRN Cc1ccccc1C[C@@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000786577691 624925512 /nfs/dbraw/zinc/92/55/12/624925512.db2.gz CWEYPVMOWBRKAQ-HNNXBMFYSA-N 0 0 323.795 3.186 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cscc2C)c1 ZINC000786925478 624965112 /nfs/dbraw/zinc/96/51/12/624965112.db2.gz HYHBTHMLWDKPNZ-LLVKDONJSA-N 0 0 305.399 3.400 20 10 DGCDRN CSC1(C(=O)NCc2ccc(N3CCCC3)cc2)CCC1 ZINC000786953156 624967192 /nfs/dbraw/zinc/96/71/92/624967192.db2.gz HPXLUVYQIGAAPD-UHFFFAOYSA-N 0 0 304.459 3.189 20 10 DGCDRN CO[C@@H](CC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C(F)(F)F ZINC000786955397 624967403 /nfs/dbraw/zinc/96/74/03/624967403.db2.gz ZJXSQHWRXHFKSZ-CPCISQLKSA-N 0 0 313.266 3.288 20 10 DGCDRN CCOc1ccc(CNc2ncccc2OC(F)F)c(O)c1 ZINC000787243814 624991135 /nfs/dbraw/zinc/99/11/35/624991135.db2.gz FYTCJSSLCRBQEQ-UHFFFAOYSA-N 0 0 310.300 3.399 20 10 DGCDRN Cc1cc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cs1 ZINC000880640615 624992327 /nfs/dbraw/zinc/99/23/27/624992327.db2.gz QVPIPOSQHPIKGD-SECBINFHSA-N 0 0 306.387 3.220 20 10 DGCDRN COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@@H]1C ZINC000787420685 625008613 /nfs/dbraw/zinc/00/86/13/625008613.db2.gz KNMLHKLBSPVIPU-LDYMZIIASA-N 0 0 318.200 3.082 20 10 DGCDRN CC(C)[C@H](NC(=O)N(C)Cc1ccccc1O)C(F)(F)F ZINC000787492513 625014856 /nfs/dbraw/zinc/01/48/56/625014856.db2.gz ZDLJTUYFFDDTRL-LBPRGKRZSA-N 0 0 304.312 3.121 20 10 DGCDRN Cn1cc(/C=C/C(=O)N2CCCSc3ccc(F)cc32)cn1 ZINC000787986349 625084149 /nfs/dbraw/zinc/08/41/49/625084149.db2.gz BTUAICSDBJZXDB-ZZXKWVIFSA-N 0 0 317.389 3.101 20 10 DGCDRN CC(C)[C@H](C[NH2+]Cc1cccc(Cl)c1[O-])c1ccnn1C ZINC000788266174 625107683 /nfs/dbraw/zinc/10/76/83/625107683.db2.gz LASNZDZLHWCZDT-ZDUSSCGKSA-N 0 0 307.825 3.309 20 10 DGCDRN COc1cccc(CNC(=O)Nc2ncsc2C2CC2)c1O ZINC000881037890 625216529 /nfs/dbraw/zinc/21/65/29/625216529.db2.gz HKNDBDQUJCOZMD-UHFFFAOYSA-N 0 0 319.386 3.056 20 10 DGCDRN C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000788690279 625245204 /nfs/dbraw/zinc/24/52/04/625245204.db2.gz HYTKCSUDOSMQSI-KFWWJZLASA-N 0 0 303.450 3.329 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](CC)[C@H]1CCCO1 ZINC000128802724 625245766 /nfs/dbraw/zinc/24/57/66/625245766.db2.gz IFJYJRMRMWMMNW-DOTOQJQBSA-N 0 0 320.433 3.271 20 10 DGCDRN C[C@H]([NH2+]CC1(CO)CCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788743637 625256545 /nfs/dbraw/zinc/25/65/45/625256545.db2.gz ZSLZDTVCKHMFDE-JTQLQIEISA-N 0 0 303.324 3.224 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788777023 625265185 /nfs/dbraw/zinc/26/51/85/625265185.db2.gz RVBSYBJTGSJRGF-MNOVXSKESA-N 0 0 303.324 3.488 20 10 DGCDRN C[C@@H]([NH2+]CCc1cnccn1)c1cccc(C(F)(F)F)c1[O-] ZINC000788797282 625268292 /nfs/dbraw/zinc/26/82/92/625268292.db2.gz KRBNLORSWSEQMC-SNVBAGLBSA-N 0 0 311.307 3.094 20 10 DGCDRN CC(C)C[C@@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)N(C)C ZINC000790949650 625720734 /nfs/dbraw/zinc/72/07/34/625720734.db2.gz GSQSWGOELBIGTC-NSHDSACASA-N 0 0 302.821 3.251 20 10 DGCDRN C[C@@H]1CCCN(CC[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000790950325 625721058 /nfs/dbraw/zinc/72/10/58/625721058.db2.gz VWFFTJPEFTYLKL-LLVKDONJSA-N 0 0 300.805 3.006 20 10 DGCDRN CN(C)C(=O)c1cccc(NCc2c(O)ccc(Cl)c2F)c1 ZINC000790976278 625728196 /nfs/dbraw/zinc/72/81/96/625728196.db2.gz ITACKRYXNOVYKH-UHFFFAOYSA-N 0 0 322.767 3.499 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H](CO)c1ccsc1 ZINC000790989457 625731913 /nfs/dbraw/zinc/73/19/13/625731913.db2.gz DCRVKBDQFMVYFQ-NSHDSACASA-N 0 0 301.770 3.069 20 10 DGCDRN C[C@@H](CCO)C1(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CCC1 ZINC000790991705 625732667 /nfs/dbraw/zinc/73/26/67/625732667.db2.gz ZOJYZRZUZPRVGK-NSHDSACASA-N 0 0 315.816 3.463 20 10 DGCDRN COc1cccc(O)c1CNCc1c(Cl)cccc1OC ZINC000790997829 625734564 /nfs/dbraw/zinc/73/45/64/625734564.db2.gz WKSABFPEHMDTJL-UHFFFAOYSA-N 0 0 307.777 3.353 20 10 DGCDRN CC[C@]1(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)CCOC1 ZINC000791416398 625796794 /nfs/dbraw/zinc/79/67/94/625796794.db2.gz NHUCRNZNZVTGRX-IBGZPJMESA-N 0 0 312.413 3.393 20 10 DGCDRN COCCOCc1cccc(NCc2cc(F)cc(F)c2O)c1 ZINC000882908566 625854169 /nfs/dbraw/zinc/85/41/69/625854169.db2.gz WRHXGIBLSKNNAV-UHFFFAOYSA-N 0 0 323.339 3.446 20 10 DGCDRN CCOc1cc(C[NH2+]Cc2cc(F)cc(F)c2[O-])ccc1OC ZINC000883000250 625893864 /nfs/dbraw/zinc/89/38/64/625893864.db2.gz TWYWLCWGYOGRGJ-UHFFFAOYSA-N 0 0 323.339 3.368 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000883049257 625910855 /nfs/dbraw/zinc/91/08/55/625910855.db2.gz IKERWPSSUAAMEJ-BFYDXBDKSA-N 0 0 301.336 3.346 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000792167290 625918748 /nfs/dbraw/zinc/91/87/48/625918748.db2.gz KJNIBSLMHXWTCM-GFCCVEGCSA-N 0 0 312.816 3.245 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000792173039 625919155 /nfs/dbraw/zinc/91/91/55/625919155.db2.gz QBQPEJFGGMEXQI-NEPJUHHUSA-N 0 0 313.800 3.433 20 10 DGCDRN Cc1cccc(CNCc2noc(-c3ccccc3C)n2)c1O ZINC000792175002 625920949 /nfs/dbraw/zinc/92/09/49/625920949.db2.gz OMTKUJDVSQQWEU-UHFFFAOYSA-N 0 0 309.369 3.349 20 10 DGCDRN COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000792204468 625925454 /nfs/dbraw/zinc/92/54/54/625925454.db2.gz ZRSQCUWWVFOMBE-LDYMZIIASA-N 0 0 318.200 3.130 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC1(c2ccccn2)CCC1 ZINC000883118746 625933043 /nfs/dbraw/zinc/93/30/43/625933043.db2.gz DVIOZPGWLVNBBJ-UHFFFAOYSA-N 0 0 304.340 3.277 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)c2cccs2)c1 ZINC000131089804 625943166 /nfs/dbraw/zinc/94/31/66/625943166.db2.gz OMZQRMKXJFRMJW-GHMZBOCLSA-N 0 0 305.399 3.443 20 10 DGCDRN Cc1cc(C(=O)N2CC(C)(F)C2)c(C)n1-c1ccc(F)cc1 ZINC000792523804 625951466 /nfs/dbraw/zinc/95/14/66/625951466.db2.gz SZEOPPCGOGYZCP-UHFFFAOYSA-N 0 0 304.340 3.417 20 10 DGCDRN CCc1[nH]ccc1C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000796307252 626037243 /nfs/dbraw/zinc/03/72/43/626037243.db2.gz IUNSCDJFRGUTOY-UHFFFAOYSA-N 0 0 317.408 3.492 20 10 DGCDRN C[C@]1(c2ccc(F)cc2)CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000796511132 626057597 /nfs/dbraw/zinc/05/75/97/626057597.db2.gz QLYGCHBFWVQFIU-INIZCTEOSA-N 0 0 305.374 3.397 20 10 DGCDRN COc1ccc(CNC(=O)NC[C@@H]2CCC[C@H](C)[C@@H]2C)c(O)c1 ZINC000796629707 626067617 /nfs/dbraw/zinc/06/76/17/626067617.db2.gz IUBKJIYPCPSNPU-IHRRRGAJSA-N 0 0 320.433 3.272 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H]1COc2ccccc2O1)c1ccc(F)cc1[O-] ZINC000796665698 626071141 /nfs/dbraw/zinc/07/11/41/626071141.db2.gz KONHLIJPNJECLI-DZGCQCFKSA-N 0 0 317.360 3.412 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1)c1ccc(F)cc1[O-] ZINC000796680634 626072638 /nfs/dbraw/zinc/07/26/38/626072638.db2.gz XJZHWQYZCNCHJB-PBHICJAKSA-N 0 0 319.376 3.012 20 10 DGCDRN CC[C@H]([NH2+]CCCOC[C@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000796781038 626081869 /nfs/dbraw/zinc/08/18/69/626081869.db2.gz UMSNEMUVUNFOBU-CJNGLKHVSA-N 0 0 311.397 3.015 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1ccc(F)cc1[O-] ZINC000797131401 626116885 /nfs/dbraw/zinc/11/68/85/626116885.db2.gz GBRRZZIMBCFZDQ-YTEVENLXSA-N 0 0 321.417 3.261 20 10 DGCDRN CC1=C(C)CN(C(=O)NCCCSc2nccs2)CC1 ZINC000797476505 626146499 /nfs/dbraw/zinc/14/64/99/626146499.db2.gz UKUXPKOMBPRJNI-UHFFFAOYSA-N 0 0 311.476 3.377 20 10 DGCDRN CC1=C[C@@H](C)CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000797518580 626150703 /nfs/dbraw/zinc/15/07/03/626150703.db2.gz CJMRGILIJRFJLL-HIFRSBDPSA-N 0 0 301.434 3.421 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCC(F)(F)C2)c1 ZINC000797586974 626155197 /nfs/dbraw/zinc/15/51/97/626155197.db2.gz OJFJRTZIXDJXBI-GHMZBOCLSA-N 0 0 313.344 3.265 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)c1 ZINC000797877338 626176103 /nfs/dbraw/zinc/17/61/03/626176103.db2.gz PXUZOWPUBKGCSL-NNUKFRKNSA-N 0 0 316.332 3.475 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H]2CCC(F)(F)C2)c1 ZINC000797942945 626182951 /nfs/dbraw/zinc/18/29/51/626182951.db2.gz LTJZTRMIFRJQKW-MNOVXSKESA-N 0 0 313.344 3.404 20 10 DGCDRN CC(C)Oc1cc(NCc2cc(F)ccc2O)ccc1C(N)=O ZINC000798086214 626193464 /nfs/dbraw/zinc/19/34/64/626193464.db2.gz LDJMWLWWZDZCNP-UHFFFAOYSA-N 0 0 318.348 3.030 20 10 DGCDRN O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)C1=CC(=O)CS1 ZINC000798122354 626195370 /nfs/dbraw/zinc/19/53/70/626195370.db2.gz WKOBOKFAQLEVTC-GZMMTYOYSA-N 0 0 313.300 3.157 20 10 DGCDRN CCOc1cccc([C@@H]2C[C@H]2NC(=O)C2=CC(=O)CS2)c1 ZINC000798122200 626195546 /nfs/dbraw/zinc/19/55/46/626195546.db2.gz OPHQSTBBOHOIQY-UONOGXRCSA-N 0 0 303.383 3.138 20 10 DGCDRN C[C@H]1CCC[C@@H]1CNC(=O)NCCCSc1nccs1 ZINC000798437523 626218191 /nfs/dbraw/zinc/21/81/91/626218191.db2.gz JPLPTNBBEDUNRK-NWDGAFQWSA-N 0 0 313.492 3.361 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccn(C)c2C)cc1 ZINC000798851194 626249847 /nfs/dbraw/zinc/24/98/47/626249847.db2.gz WBRDXNATLIBCHV-UHFFFAOYSA-N 0 0 313.445 3.452 20 10 DGCDRN CC[C@@H]([NH2+][C@H](CO)CCOC)c1ccc(Cl)c(Cl)c1[O-] ZINC000798940881 626261331 /nfs/dbraw/zinc/26/13/31/626261331.db2.gz OKAKTJJJZUMNOT-JOYOIKCWSA-N 0 0 322.232 3.137 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1cc(Cl)ccc1O ZINC000798938240 626261374 /nfs/dbraw/zinc/26/13/74/626261374.db2.gz ZUXILDJFWSQFPH-FZMZJTMJSA-N 0 0 310.825 3.097 20 10 DGCDRN CN(C)c1ccc(CN2CCCC[C@@H]2c2ccnn2C)cc1F ZINC000798960526 626263154 /nfs/dbraw/zinc/26/31/54/626263154.db2.gz HVSQOGQMBGKVBB-GOSISDBHSA-N 0 0 316.424 3.352 20 10 DGCDRN Cc1ccc(-c2ccnn2C)cc1NC(=O)C1=CC(=O)CS1 ZINC000799104142 626272059 /nfs/dbraw/zinc/27/20/59/626272059.db2.gz UVAIXMKWELVQQE-UHFFFAOYSA-N 0 0 313.382 3.415 20 10 DGCDRN CO[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000799383214 626297403 /nfs/dbraw/zinc/29/74/03/626297403.db2.gz GRQFUCISXUIMBE-GRDNDAEWSA-N 0 0 319.449 3.023 20 10 DGCDRN COc1ccc(N(C)Cc2cc(C(F)(F)F)n[nH]2)cc1F ZINC000799735114 626326367 /nfs/dbraw/zinc/32/63/67/626326367.db2.gz UQGVKCIGQJMCKI-UHFFFAOYSA-N 0 0 303.259 3.213 20 10 DGCDRN CC(C)C1(c2ccccc2)CN(C(=O)c2cccc(O)c2O)C1 ZINC000839888509 626327529 /nfs/dbraw/zinc/32/75/29/626327529.db2.gz VYACFZPOFQBXTE-UHFFFAOYSA-N 0 0 311.381 3.148 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2O[C@H](C)C[C@@H]2C)cc1 ZINC000799864677 626331781 /nfs/dbraw/zinc/33/17/81/626331781.db2.gz UMQOLKYIZLSOSG-HDMKZQKVSA-N 0 0 318.461 3.305 20 10 DGCDRN CO[C@@H]1CC[C@H](OC(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000800462479 626362264 /nfs/dbraw/zinc/36/22/64/626362264.db2.gz GUQNKADKTFXQDX-CABCVRRESA-N 0 0 314.385 3.213 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CCOCC(C)C ZINC000839916454 626370516 /nfs/dbraw/zinc/37/05/16/626370516.db2.gz TZBKLNSHBGQWEB-INIZCTEOSA-N 0 0 320.477 3.171 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H](C)OCC(C)C ZINC000839918588 626371729 /nfs/dbraw/zinc/37/17/29/626371729.db2.gz MWTADRYJEJJGQK-HOTGVXAUSA-N 0 0 320.477 3.169 20 10 DGCDRN Cc1ccccc1[C@@]1(F)CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000800698976 626372129 /nfs/dbraw/zinc/37/21/29/626372129.db2.gz SKPCSEMKTWSUQB-MRXNPFEDSA-N 0 0 305.374 3.473 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H](C)C(F)(F)F ZINC000839919793 626373510 /nfs/dbraw/zinc/37/35/10/626373510.db2.gz TUZOODMRVLDBDX-VXGBXAGGSA-N 0 0 316.367 3.307 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1ccncc1 ZINC000800802245 626375736 /nfs/dbraw/zinc/37/57/36/626375736.db2.gz FJHPOLLGOIIZES-UHFFFAOYSA-N 0 0 313.401 3.299 20 10 DGCDRN CO[C@@H](C)c1nsc(N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000800864765 626380565 /nfs/dbraw/zinc/38/05/65/626380565.db2.gz PXZGLEBXCYQSED-QWRGUYRKSA-N 0 0 306.435 3.485 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)CCCn1cccn1 ZINC000801550078 626409661 /nfs/dbraw/zinc/40/96/61/626409661.db2.gz NAIQHOVXARSNFU-UHFFFAOYSA-N 0 0 315.417 3.198 20 10 DGCDRN CN(C)c1ccc(CN2CCOc3cccc(F)c3C2)cc1 ZINC000801584052 626410493 /nfs/dbraw/zinc/41/04/93/626410493.db2.gz YVKPZXNFJWHBPR-UHFFFAOYSA-N 0 0 300.377 3.286 20 10 DGCDRN CCCCN(Cc1ccccc1O)[C@H](C)c1nc(COC)no1 ZINC000801599210 626411834 /nfs/dbraw/zinc/41/18/34/626411834.db2.gz FNGQENGBFNUYIH-CYBMUJFWSA-N 0 0 319.405 3.285 20 10 DGCDRN CO[C@H](COC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000801848956 626421541 /nfs/dbraw/zinc/42/15/41/626421541.db2.gz DZYNCZYPYZCPER-SYJIQKIWSA-N 0 0 314.337 3.042 20 10 DGCDRN COc1cccc(CNC(=O)N[C@@H](C)c2ccsc2)c1O ZINC000802394833 626560342 /nfs/dbraw/zinc/56/03/42/626560342.db2.gz QKIVDAQYHPJJDX-JTQLQIEISA-N 0 0 306.387 3.023 20 10 DGCDRN COc1ccc(O)c(CNC(=O)C(C2CCC2)C2CCC2)c1 ZINC000802785034 626571843 /nfs/dbraw/zinc/57/18/43/626571843.db2.gz YRBVYUAKXAFPCB-UHFFFAOYSA-N 0 0 303.402 3.233 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@@H](O)c1ccccc1 ZINC000883203705 626607612 /nfs/dbraw/zinc/60/76/12/626607612.db2.gz JJIUJPQTYSDDNW-WBVHZDCISA-N 0 0 307.340 3.272 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000883357710 626659799 /nfs/dbraw/zinc/65/97/99/626659799.db2.gz RJTJSUFAXXDGCO-WCQYABFASA-N 0 0 306.362 3.053 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC=C(c2ccco2)C1 ZINC000804184309 626659891 /nfs/dbraw/zinc/65/98/91/626659891.db2.gz VFRRSBXDHXRMPM-VURMDHGXSA-N 0 0 311.337 3.020 20 10 DGCDRN C[C@H]1CN(CN2CCCc3cc(OC(F)F)ccc32)C(=O)[C@H]1C ZINC000840037961 626666535 /nfs/dbraw/zinc/66/65/35/626666535.db2.gz ZJBAXZBBECGTOK-RYUDHWBXSA-N 0 0 324.371 3.113 20 10 DGCDRN Cc1cncc(/C=C/C(=O)N2CCN(C)c3cc(F)ccc32)c1 ZINC000131705174 626671347 /nfs/dbraw/zinc/67/13/47/626671347.db2.gz GRWXGFSKHUBADF-ZZXKWVIFSA-N 0 0 311.360 3.025 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCc2cc(Cl)ccc21 ZINC000804344862 626671811 /nfs/dbraw/zinc/67/18/11/626671811.db2.gz PSVIPEZNSFCOAN-QHHAFSJGSA-N 0 0 315.756 3.354 20 10 DGCDRN COC(=O)c1cc(C)nc(Sc2ncc(C(C)(C)C)s2)n1 ZINC000804551668 626692040 /nfs/dbraw/zinc/69/20/40/626692040.db2.gz OQWXTZATYFIUFD-UHFFFAOYSA-N 0 0 323.443 3.477 20 10 DGCDRN COC(=O)c1cnc(Sc2ncc(C(C)(C)C)s2)nc1 ZINC000804551066 626692109 /nfs/dbraw/zinc/69/21/09/626692109.db2.gz AJJNMWRWGWMJNC-UHFFFAOYSA-N 0 0 309.416 3.168 20 10 DGCDRN CC[C@@H]([NH2+]C1CCN(C(C)=O)CC1)c1cccc(Cl)c1[O-] ZINC000806128910 626700623 /nfs/dbraw/zinc/70/06/23/626700623.db2.gz ZFCWSDMIBKEFOQ-OAHLLOKOSA-N 0 0 310.825 3.097 20 10 DGCDRN CC(C)(C(=O)NCc1ccc(N2CCSCC2)cc1)C1CC1 ZINC000806506402 626717809 /nfs/dbraw/zinc/71/78/09/626717809.db2.gz SAPFQXLBCKGSSJ-UHFFFAOYSA-N 0 0 318.486 3.292 20 10 DGCDRN CCc1cc(NC(=O)NCc2ccc(OC)cc2O)ccc1F ZINC000806557397 626720715 /nfs/dbraw/zinc/72/07/15/626720715.db2.gz BCIMHWRIHGQSRT-UHFFFAOYSA-N 0 0 318.348 3.424 20 10 DGCDRN CSc1cccc(NC(=O)N(C)Cc2ccccc2O)n1 ZINC000806784505 626734049 /nfs/dbraw/zinc/73/40/49/626734049.db2.gz XSGDLAVQPJOTHD-UHFFFAOYSA-N 0 0 303.387 3.173 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCCC1(F)F ZINC000806846760 626737057 /nfs/dbraw/zinc/73/70/57/626737057.db2.gz WNDSUWCUTARCRQ-OAHLLOKOSA-N 0 0 321.371 3.050 20 10 DGCDRN O=C(NCCCSc1nccs1)NCCC1(F)CCC1 ZINC000806959594 626741274 /nfs/dbraw/zinc/74/12/74/626741274.db2.gz YGGMTDJINMAFDD-UHFFFAOYSA-N 0 0 317.455 3.207 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1CCCC1(F)F)c1ccc(N(C)C)cc1 ZINC000807139824 626747333 /nfs/dbraw/zinc/74/73/33/626747333.db2.gz IJFSILBDZDPHLV-FZMZJTMJSA-N 0 0 311.376 3.301 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCC2(CC3CC3)CC2)c1 ZINC000883805891 626747642 /nfs/dbraw/zinc/74/76/42/626747642.db2.gz UTEMNIICAXMLJW-GFCCVEGCSA-N 0 0 318.417 3.341 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cccnc1F ZINC000807486572 626758852 /nfs/dbraw/zinc/75/88/52/626758852.db2.gz SVEQPMMKGYTFKW-UHFFFAOYSA-N 0 0 302.349 3.369 20 10 DGCDRN C[C@H]1CC[C@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000807555441 626759862 /nfs/dbraw/zinc/75/98/62/626759862.db2.gz ARJCSUPWZGRDCB-SUMWQHHRSA-N 0 0 301.434 3.225 20 10 DGCDRN CC(=O)C(=O)CSc1nc2ccccc2n1-c1ccccc1 ZINC000808012606 626787114 /nfs/dbraw/zinc/78/71/14/626787114.db2.gz SKIIQORFJAGRSO-UHFFFAOYSA-N 0 0 310.378 3.276 20 10 DGCDRN CC[C@@H](OC1CCCCC1)C(=O)NCc1cc(OC)ccc1O ZINC000133459228 626789016 /nfs/dbraw/zinc/78/90/16/626789016.db2.gz LNOHUHMNQKGCEE-QGZVFWFLSA-N 0 0 321.417 3.145 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(F)ccc1F ZINC000808094568 626791797 /nfs/dbraw/zinc/79/17/97/626791797.db2.gz UXHIBSJRNFROQM-UHFFFAOYSA-N 0 0 312.312 3.086 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cccnc1F ZINC000808121166 626794467 /nfs/dbraw/zinc/79/44/67/626794467.db2.gz ARACWOPMSGOQLG-UHFFFAOYSA-N 0 0 315.392 3.338 20 10 DGCDRN CC1(C)CCC(=O)N1CN1CCCc2cc(OC(F)F)ccc21 ZINC000808174862 626803343 /nfs/dbraw/zinc/80/33/43/626803343.db2.gz PKZFDKJCUDKKKQ-UHFFFAOYSA-N 0 0 324.371 3.399 20 10 DGCDRN Cc1cc(C)c2c(N)c(C(=O)OCCOCC(C)C)sc2n1 ZINC000800117780 626809170 /nfs/dbraw/zinc/80/91/70/626809170.db2.gz LXKKBSIPRINYSR-UHFFFAOYSA-N 0 0 322.430 3.325 20 10 DGCDRN COc1cccc(CNc2cnn(C)c2-c2ccccc2)c1O ZINC000808424428 626823348 /nfs/dbraw/zinc/82/33/48/626823348.db2.gz FBPUFUOAAFGHCA-UHFFFAOYSA-N 0 0 309.369 3.413 20 10 DGCDRN CC(=O)C(=O)COC(=O)c1sc2cc(F)ccc2c1Cl ZINC000808487121 626831792 /nfs/dbraw/zinc/83/17/92/626831792.db2.gz BDVZNHCJCXJYFT-UHFFFAOYSA-N 0 0 314.721 3.009 20 10 DGCDRN CC(=O)C(=O)COC(=O)C(C)=Cc1c(Cl)cccc1Cl ZINC000808537375 626837809 /nfs/dbraw/zinc/83/78/09/626837809.db2.gz NEPHHCYWBPYQRF-SOFGYWHQSA-N 0 0 315.152 3.098 20 10 DGCDRN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCc3c[nH]nc3C2)c1O ZINC000808701792 626851013 /nfs/dbraw/zinc/85/10/13/626851013.db2.gz IRFJNAOPXYMFIN-ZWNOBZJWSA-N 0 0 305.809 3.285 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1COc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000808727583 626854281 /nfs/dbraw/zinc/85/42/81/626854281.db2.gz JJLNVZNBXKPGBU-WDEREUQCSA-N 0 0 305.324 3.497 20 10 DGCDRN CSCC[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000134907947 626891238 /nfs/dbraw/zinc/89/12/38/626891238.db2.gz AZHZDLMOPSAECS-ZETCQYMHSA-N 0 0 308.216 3.307 20 10 DGCDRN Cc1cc(C(=O)Nc2ccc(F)nc2)c(C)n1-c1ccccn1 ZINC000135036567 626901002 /nfs/dbraw/zinc/90/10/02/626901002.db2.gz LZYPUDUGYMDWED-UHFFFAOYSA-N 0 0 310.332 3.276 20 10 DGCDRN Cc1c(Br)cccc1C(=O)NCc1ccccc1O ZINC000135358993 626925734 /nfs/dbraw/zinc/92/57/34/626925734.db2.gz IPGNCCPJKBNRNL-UHFFFAOYSA-N 0 0 320.186 3.393 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CC1CCSCC1 ZINC000135499697 626936182 /nfs/dbraw/zinc/93/61/82/626936182.db2.gz CPYZHPOLUJHXEZ-UHFFFAOYSA-N 0 0 306.475 3.211 20 10 DGCDRN Cn1nccc1C1=CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000809690106 626936607 /nfs/dbraw/zinc/93/66/07/626936607.db2.gz HIXDDUXWRRDNLV-UHFFFAOYSA-N 0 0 321.783 3.208 20 10 DGCDRN CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1[O-] ZINC000809721509 626941201 /nfs/dbraw/zinc/94/12/01/626941201.db2.gz ZQEAMQWDXQVNCL-CQSZACIVSA-N 0 0 324.396 3.020 20 10 DGCDRN C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000809724015 626942114 /nfs/dbraw/zinc/94/21/14/626942114.db2.gz CUKNVMPEOPQTII-ABAIWWIYSA-N 0 0 312.816 3.243 20 10 DGCDRN COCC[N@H+](Cc1ccccn1)Cc1cc(Cl)cc(F)c1[O-] ZINC000809734700 626943579 /nfs/dbraw/zinc/94/35/79/626943579.db2.gz NUDMCFAJDYTOOH-UHFFFAOYSA-N 0 0 324.783 3.228 20 10 DGCDRN COc1cc(O)c(CN2CCc3cccc(F)c32)cc1OC ZINC000809767025 626949477 /nfs/dbraw/zinc/94/94/77/626949477.db2.gz FFFWJWUSBVISNV-UHFFFAOYSA-N 0 0 303.333 3.111 20 10 DGCDRN Cn1ncc(Cl)c1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809775587 626951257 /nfs/dbraw/zinc/95/12/57/626951257.db2.gz FEEGCDKGRZRXFA-UHFFFAOYSA-N 0 0 320.607 3.376 20 10 DGCDRN CCC[C@@]1(CO)CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000809790725 626954601 /nfs/dbraw/zinc/95/46/01/626954601.db2.gz LWKITRPYDAAOAR-OAHLLOKOSA-N 0 0 301.789 3.169 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)C[C@@H](C)CC(=O)OC ZINC000809804132 626955015 /nfs/dbraw/zinc/95/50/15/626955015.db2.gz RURJQSVINKWNKR-CQSZACIVSA-N 0 0 321.417 3.110 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Cc1cccc(Cl)c1F ZINC000810156783 626982601 /nfs/dbraw/zinc/98/26/01/626982601.db2.gz UGPOLAFSWUJJPP-UHFFFAOYSA-N 0 0 307.752 3.386 20 10 DGCDRN CCc1nnc(CN[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)s1 ZINC000810259059 626993997 /nfs/dbraw/zinc/99/39/97/626993997.db2.gz AJHLZOZAJJUFKQ-PSASIEDQSA-N 0 0 307.394 3.283 20 10 DGCDRN CCCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000810262544 626994581 /nfs/dbraw/zinc/99/45/81/626994581.db2.gz SDVBBDYUYGXFQD-OLZOCXBDSA-N 0 0 309.410 3.071 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C(C)C)cn2)c1 ZINC000810347724 627002943 /nfs/dbraw/zinc/00/29/43/627002943.db2.gz LRZNZYDBLRHMRN-LBPRGKRZSA-N 0 0 314.385 3.410 20 10 DGCDRN CC(C)[C@H](C)SCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000840201684 627004103 /nfs/dbraw/zinc/00/41/03/627004103.db2.gz OURPHTKNERYCGH-AWEZNQCLSA-N 0 0 308.491 3.489 20 10 DGCDRN O=C(NCCCSc1nccs1)C1(F)CCCCC1 ZINC000810399384 627004370 /nfs/dbraw/zinc/00/43/70/627004370.db2.gz UTKLCYAYVOWRFG-UHFFFAOYSA-N 0 0 302.440 3.414 20 10 DGCDRN C[C@H](O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000136827158 627103683 /nfs/dbraw/zinc/10/36/83/627103683.db2.gz XHGLWRRKEDDJNA-VHSXEESVSA-N 0 0 304.217 3.292 20 10 DGCDRN C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1c([O-])cccc1F ZINC000886522371 627156594 /nfs/dbraw/zinc/15/65/94/627156594.db2.gz HWTJXSLPSYJTFL-LLVKDONJSA-N 0 0 304.321 3.333 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)[C@H](O)c1cccc(F)c1)c1c([O-])cccc1F ZINC000886550154 627161561 /nfs/dbraw/zinc/16/15/61/627161561.db2.gz TUBJWYYJKLYKPK-DINDLPBHSA-N 0 0 307.340 3.443 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1c([O-])cccc1F ZINC000886550111 627161589 /nfs/dbraw/zinc/16/15/89/627161589.db2.gz SKELGYGHIPOBAJ-MQJDWESPSA-N 0 0 307.390 3.120 20 10 DGCDRN C[C@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1c([O-])cccc1F ZINC000886555237 627162569 /nfs/dbraw/zinc/16/25/69/627162569.db2.gz NYEDAIMXKTXIBH-SGTLLEGYSA-N 0 0 301.361 3.016 20 10 DGCDRN C[C@@H]([NH2+]CC[C@@](C)(O)c1ccccc1)c1c([O-])cccc1F ZINC000886594076 627169463 /nfs/dbraw/zinc/16/94/63/627169463.db2.gz FRXQXWLICOLHKX-FZKQIMNGSA-N 0 0 303.377 3.480 20 10 DGCDRN CC(C)[C@@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)c1ccnn1C ZINC000886599315 627170499 /nfs/dbraw/zinc/17/04/99/627170499.db2.gz WDUVWGNIUVACRC-QWHCGFSZSA-N 0 0 305.397 3.355 20 10 DGCDRN CCO[C@H](C)c1nc(-c2cn(-c3ccc(N)cc3)nn2)cs1 ZINC000887486327 627270058 /nfs/dbraw/zinc/27/00/58/627270058.db2.gz LXGIFQGUKURMKH-SNVBAGLBSA-N 0 0 315.402 3.071 20 10 DGCDRN Cc1cc(Br)c(O)c(CN2CCCc3n[nH]cc32)c1 ZINC000811497240 627281694 /nfs/dbraw/zinc/28/16/94/627281694.db2.gz LAFGHLLTVBKTDV-UHFFFAOYSA-N 0 0 322.206 3.139 20 10 DGCDRN CCOc1ccc(CN2CCC(=O)Nc3ccccc32)c(O)c1 ZINC000811508154 627283687 /nfs/dbraw/zinc/28/36/87/627283687.db2.gz CURNRLBIYFRCNB-UHFFFAOYSA-N 0 0 312.369 3.140 20 10 DGCDRN CN(C)c1ccc(CN2CC(O)(c3ccc(Cl)cc3)C2)cc1 ZINC000811509473 627284175 /nfs/dbraw/zinc/28/41/75/627284175.db2.gz RUNLTFAILSUKKI-UHFFFAOYSA-N 0 0 316.832 3.109 20 10 DGCDRN Cc1cc(Cl)cc(CN2CC(O)(c3ccccc3)C2)c1O ZINC000811509485 627284416 /nfs/dbraw/zinc/28/44/16/627284416.db2.gz ZCCOOVWYKIIGJL-UHFFFAOYSA-N 0 0 303.789 3.057 20 10 DGCDRN Oc1ccc2oc3c(c2c1CN1CCn2cncc2C1)CCCC3 ZINC000811787554 627321563 /nfs/dbraw/zinc/32/15/63/627321563.db2.gz OBDSQLMTGORLQW-UHFFFAOYSA-N 0 0 323.396 3.230 20 10 DGCDRN Nc1nc(NCc2c(O)ccc3c2CCCC3)nc2ccccc12 ZINC000811809147 627323765 /nfs/dbraw/zinc/32/37/65/627323765.db2.gz ZAZATQOIAIYGRU-UHFFFAOYSA-N 0 0 320.396 3.409 20 10 DGCDRN CCn1c(CCC(C)C)nnc1N(C)Cc1ccccc1O ZINC000812030881 627348393 /nfs/dbraw/zinc/34/83/93/627348393.db2.gz SJIHQVXRGINBEW-UHFFFAOYSA-N 0 0 302.422 3.229 20 10 DGCDRN O=C(N[C@H]1C[C@H](c2ccc(F)cc2F)C1)C1=CC(=O)CS1 ZINC000889082741 627377178 /nfs/dbraw/zinc/37/71/78/627377178.db2.gz AHOLOJSHKJWWPN-CZMCAQCFSA-N 0 0 309.337 3.408 20 10 DGCDRN Cc1cc(N[C@H](C)Cc2ccc(O)c(O)c2)c(F)cc1[N+](=O)[O-] ZINC000812463057 627389274 /nfs/dbraw/zinc/38/92/74/627389274.db2.gz BWLPMVCDELBDEH-SNVBAGLBSA-N 0 0 320.320 3.497 20 10 DGCDRN CO[C@H](C)[C@@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000812577258 627399370 /nfs/dbraw/zinc/39/93/70/627399370.db2.gz QZXUEPJXVORWJG-HUUCEWRRSA-N 0 0 321.465 3.096 20 10 DGCDRN COc1cccc(CN(C)Cc2nc(-c3ccccc3)c[nH]2)c1O ZINC000813331911 627478955 /nfs/dbraw/zinc/47/89/55/627478955.db2.gz NLIFWNPXEHEKGC-UHFFFAOYSA-N 0 0 323.396 3.423 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H](O)CC(C)(C)C ZINC000813425715 627489305 /nfs/dbraw/zinc/48/93/05/627489305.db2.gz RBBVUUMWGHKOJR-KRWDZBQOSA-N 0 0 320.477 3.288 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCC1CC1 ZINC000840310538 627532860 /nfs/dbraw/zinc/53/28/60/627532860.db2.gz LKAZKQHZZOTNAJ-AWEZNQCLSA-N 0 0 303.450 3.091 20 10 DGCDRN OC[C@@H]1Cc2ccccc2N(Cc2cc(Cl)ccc2O)C1 ZINC000814169826 627545730 /nfs/dbraw/zinc/54/57/30/627545730.db2.gz NDWYCFGOXBBPKS-GFCCVEGCSA-N 0 0 303.789 3.217 20 10 DGCDRN CC(C)[C@@H]1N(C(=O)NCc2ccc(N(C)C)cc2)CC1(C)C ZINC000814309146 627558298 /nfs/dbraw/zinc/55/82/98/627558298.db2.gz YPTBPHUSRCGDSJ-INIZCTEOSA-N 0 0 303.450 3.329 20 10 DGCDRN CCOc1ccc(N(C)Cc2nn(C)cc2Br)cc1 ZINC000814624172 627580540 /nfs/dbraw/zinc/58/05/40/627580540.db2.gz NQVWYMSARFITIB-UHFFFAOYSA-N 0 0 324.222 3.218 20 10 DGCDRN O=[N+]([O-])c1cc(Cl)cc(CNc2cc3c(c[nH+]2)CCC3)c1[O-] ZINC000815159224 627639415 /nfs/dbraw/zinc/63/94/15/627639415.db2.gz NERSICDIGHOAHN-UHFFFAOYSA-N 0 0 319.748 3.450 20 10 DGCDRN CCN(CC)c1ccc(CN[C@@H](C)c2nn(CC)nc2C)cc1 ZINC000924710464 627671331 /nfs/dbraw/zinc/67/13/31/627671331.db2.gz LHNJUXGBYGSWEV-AWEZNQCLSA-N 0 0 315.465 3.303 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cc(F)c[nH]2)cc1F ZINC000815539299 627683621 /nfs/dbraw/zinc/68/36/21/627683621.db2.gz GPHOVOFAANTOHP-UHFFFAOYSA-N 0 0 307.344 3.069 20 10 DGCDRN COCCOCCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815554905 627684172 /nfs/dbraw/zinc/68/41/72/627684172.db2.gz LLUZIRFTBMJHDF-NSHDSACASA-N 0 0 321.339 3.115 20 10 DGCDRN C[C@@H]([NH2+]CCC1CC(O)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815621117 627691769 /nfs/dbraw/zinc/69/17/69/627691769.db2.gz LWMKJHDZHPQQCV-KPPDAEKUSA-N 0 0 303.324 3.223 20 10 DGCDRN CC(C)[C@@H](CO)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815626247 627692296 /nfs/dbraw/zinc/69/22/96/627692296.db2.gz ZHYBNXQFEMRASP-GHMZBOCLSA-N 0 0 305.340 3.326 20 10 DGCDRN CO[C@H]1CCC[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000815835733 627707108 /nfs/dbraw/zinc/70/71/08/627707108.db2.gz DAFCHZRLZGYMPM-GJZGRUSLSA-N 0 0 317.429 3.092 20 10 DGCDRN CO[C@H](COC(=O)c1cc(C)n(-c2ccccn2)c1C)C1CC1 ZINC000816382801 627778160 /nfs/dbraw/zinc/77/81/60/627778160.db2.gz YVLJHMVEPCEWDX-MRXNPFEDSA-N 0 0 314.385 3.071 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1CN1CC[NH+](C2CCCC2)CC1 ZINC000816483933 627796280 /nfs/dbraw/zinc/79/62/80/627796280.db2.gz KUSNAHQPCHEEAD-UHFFFAOYSA-N 0 0 312.816 3.245 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000816497898 627797130 /nfs/dbraw/zinc/79/71/30/627797130.db2.gz YJOPLQQNURNTIY-CYBMUJFWSA-N 0 0 312.816 3.245 20 10 DGCDRN CC[NH+](CC)C[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816515758 627800141 /nfs/dbraw/zinc/80/01/41/627800141.db2.gz KDXXIXIIEUZFCD-GFCCVEGCSA-N 0 0 314.832 3.348 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1nnc2ccccn21 ZINC000816530433 627803304 /nfs/dbraw/zinc/80/33/04/627803304.db2.gz ICZSIVOLGZVDSQ-SECBINFHSA-N 0 0 320.755 3.078 20 10 DGCDRN COc1ccc(CNC(=O)c2cc(F)ccc2Cl)c(O)c1 ZINC000816551064 627805486 /nfs/dbraw/zinc/80/54/86/627805486.db2.gz NIMWLZWXTXJDKX-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN Cc1ccc2nc(C[NH2+]Cc3cc(Cl)c(F)cc3[O-])cn2c1 ZINC000816548959 627805708 /nfs/dbraw/zinc/80/57/08/627805708.db2.gz YMCQQMZYGIIRTH-UHFFFAOYSA-N 0 0 319.767 3.431 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1(CCO)CCCCC1 ZINC000816555607 627806434 /nfs/dbraw/zinc/80/64/34/627806434.db2.gz KLHCPKNRTOKYHX-UHFFFAOYSA-N 0 0 301.789 3.360 20 10 DGCDRN CN1Cc2ccccc2[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816559922 627807213 /nfs/dbraw/zinc/80/72/13/627807213.db2.gz YYZTYKHWODEDJG-INIZCTEOSA-N 0 0 320.795 3.461 20 10 DGCDRN COc1ccc(F)c(CN(C)c2ccc(OC)c(OC)c2)c1 ZINC000816569760 627810354 /nfs/dbraw/zinc/81/03/54/627810354.db2.gz WAJTVDVVMBAAMG-UHFFFAOYSA-N 0 0 305.349 3.488 20 10 DGCDRN CO[C@@H](CC[NH2+]Cc1cc(Cl)c(F)cc1[O-])C(F)(F)F ZINC000816588306 627811552 /nfs/dbraw/zinc/81/15/52/627811552.db2.gz KPAYXYAIHBJPMH-NSHDSACASA-N 0 0 315.694 3.242 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000816593848 627812827 /nfs/dbraw/zinc/81/28/27/627812827.db2.gz GURQCLIRZONQCQ-CYBMUJFWSA-N 0 0 322.767 3.233 20 10 DGCDRN C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816609526 627814688 /nfs/dbraw/zinc/81/46/88/627814688.db2.gz FDWHDAQCYHNREI-IAQYHMDHSA-N 0 0 312.816 3.243 20 10 DGCDRN C[N@@H+]1CCC[C@]2(CCN(Cc3cc(Cl)c(F)cc3[O-])C2)C1 ZINC000816641818 627818832 /nfs/dbraw/zinc/81/88/32/627818832.db2.gz HGJZSUWQHPLVRW-INIZCTEOSA-N 0 0 312.816 3.102 20 10 DGCDRN CN(C)c1ccc(CN2CCOC[C@H]2CC2CCC2)cc1F ZINC000816667615 627823576 /nfs/dbraw/zinc/82/35/76/627823576.db2.gz RLMBYAPWZMESMX-MRXNPFEDSA-N 0 0 306.425 3.283 20 10 DGCDRN CC(C)[C@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2F)CCCO1 ZINC000816675154 627823760 /nfs/dbraw/zinc/82/37/60/627823760.db2.gz UEMVGNJHGBXSJE-CQSZACIVSA-N 0 0 301.789 3.432 20 10 DGCDRN O=C(NCc1ccc(C2CC2)cc1F)c1cccc(O)c1O ZINC000816790542 627831008 /nfs/dbraw/zinc/83/10/08/627831008.db2.gz DWUUJZFAVOZLAW-UHFFFAOYSA-N 0 0 301.317 3.044 20 10 DGCDRN CCO/C=C\C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000816826168 627833427 /nfs/dbraw/zinc/83/34/27/627833427.db2.gz YUIWPYIFCJAKHS-KAMYIIQDSA-N 0 0 302.418 3.186 20 10 DGCDRN Cc1ccc(C(=O)NC(C)(C)c2ccccc2F)c(O)c1O ZINC000817039528 627848280 /nfs/dbraw/zinc/84/82/80/627848280.db2.gz BGPCEOCNMSHUSU-UHFFFAOYSA-N 0 0 303.333 3.210 20 10 DGCDRN CC[C@@H]1C[C@@H](NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000817165088 627860785 /nfs/dbraw/zinc/86/07/85/627860785.db2.gz JIZWTKRUQUUMAT-JLJPHGGASA-N 0 0 319.449 3.070 20 10 DGCDRN COc1ccc(N(C)Cc2nn(C)c(C)c2Cl)cc1OC ZINC000817409870 627895161 /nfs/dbraw/zinc/89/51/61/627895161.db2.gz GPNPCHGNMVIRRR-UHFFFAOYSA-N 0 0 309.797 3.036 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H](CCO)CC1 ZINC000817419233 627897783 /nfs/dbraw/zinc/89/77/83/627897783.db2.gz RHWDBJFCMPRSNJ-NSHDSACASA-N 0 0 301.789 3.169 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)[C@@]2(C)CC2(F)F)C2CC2)cc1 ZINC000817427189 627899477 /nfs/dbraw/zinc/89/94/77/627899477.db2.gz JHLNKMZZHASRHJ-MRXNPFEDSA-N 0 0 308.372 3.289 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@]2(C)CC2(F)F)cc1F ZINC000817531573 627916245 /nfs/dbraw/zinc/91/62/45/627916245.db2.gz RGHJCQDFNSFTPD-HNNXBMFYSA-N 0 0 314.351 3.333 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)c1ccnn1C ZINC000817599408 627928641 /nfs/dbraw/zinc/92/86/41/627928641.db2.gz FGRXWZHKJVUDDB-AWEZNQCLSA-N 0 0 315.417 3.058 20 10 DGCDRN Cc1cc(CN[C@H](C)c2cnn(C)n2)c(C)n1-c1ccccc1 ZINC000926763541 627948515 /nfs/dbraw/zinc/94/85/15/627948515.db2.gz AYHPBQZYBPVUTP-CQSZACIVSA-N 0 0 309.417 3.073 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCO[C@@H](CC)C1 ZINC000817788953 627949331 /nfs/dbraw/zinc/94/93/31/627949331.db2.gz LWYOEGQVGPCGCE-CVEARBPZSA-N 0 0 320.433 3.271 20 10 DGCDRN Cc1cc(CN[C@@H]2C[C@@H](C)n3ncnc32)c(C)n1-c1ccccc1 ZINC000926765518 627949578 /nfs/dbraw/zinc/94/95/78/627949578.db2.gz WXCBZVQBQDFYBW-RDTXWAMCSA-N 0 0 321.428 3.481 20 10 DGCDRN Cc1cc(CN[C@H]2C[C@@H](C)n3ncnc32)c(C)n1-c1ccccc1 ZINC000926765516 627949608 /nfs/dbraw/zinc/94/96/08/627949608.db2.gz WXCBZVQBQDFYBW-KDOFPFPSSA-N 0 0 321.428 3.481 20 10 DGCDRN COC[C@H]1CCN1C(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000817815490 627950451 /nfs/dbraw/zinc/95/04/51/627950451.db2.gz OPFDMTABKPUQBU-QGZVFWFLSA-N 0 0 312.413 3.263 20 10 DGCDRN C[C@@H]1CCCCN1C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817903541 627957161 /nfs/dbraw/zinc/95/71/61/627957161.db2.gz FFVDKRXUQUPBQZ-GFCCVEGCSA-N 0 0 315.442 3.331 20 10 DGCDRN CC1(C)CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000817937194 627966778 /nfs/dbraw/zinc/96/67/78/627966778.db2.gz UWIKCYSYOBSGAE-UHFFFAOYSA-N 0 0 315.442 3.188 20 10 DGCDRN CC[C@@H]([NH2+]CCNC1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817954019 627973331 /nfs/dbraw/zinc/97/33/31/627973331.db2.gz VCFDJVHRANPBHE-GFCCVEGCSA-N 0 0 303.233 3.492 20 10 DGCDRN CC[C@@H]([NH2+][C@H](CN)C1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817961364 627976165 /nfs/dbraw/zinc/97/61/65/627976165.db2.gz XTUKCSVSHFUNTJ-CHWSQXEVSA-N 0 0 303.233 3.477 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1ccc(F)cc1[O-] ZINC000817975040 627981020 /nfs/dbraw/zinc/98/10/20/627981020.db2.gz QELIMCMMCJZYIW-MSOLQXFVSA-N 0 0 314.404 3.459 20 10 DGCDRN CCOCCOCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000927086118 628011220 /nfs/dbraw/zinc/01/12/20/628011220.db2.gz DACMPHZCTXXVEE-NSHDSACASA-N 0 0 321.339 3.115 20 10 DGCDRN C[C@@H]([NH2+]Cc1cccc2c1OCC2)c1cc(F)cc(F)c1[O-] ZINC000927089524 628011872 /nfs/dbraw/zinc/01/18/72/628011872.db2.gz CMWOXBHJVGRYHP-SNVBAGLBSA-N 0 0 305.324 3.456 20 10 DGCDRN COC(=O)c1cnc([C@@H](C)N[C@H](C)c2ccc(F)cc2O)s1 ZINC000818355876 628018104 /nfs/dbraw/zinc/01/81/04/628018104.db2.gz KJRJERYOXDVQRX-RKDXNWHRSA-N 0 0 324.377 3.186 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000840360068 628023590 /nfs/dbraw/zinc/02/35/90/628023590.db2.gz LJQAUUNSUXHGNV-NKGKWGDASA-N 0 0 315.461 3.090 20 10 DGCDRN CN(Cc1c(F)cccc1F)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000818552129 628034219 /nfs/dbraw/zinc/03/42/19/628034219.db2.gz TVGNMESCTNFWFH-VURMDHGXSA-N 0 0 319.307 3.048 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCC[C@@H]1CCC2(CCC2)O1 ZINC000927728169 628096055 /nfs/dbraw/zinc/09/60/55/628096055.db2.gz KGOLXOPQNUXQRO-HNNXBMFYSA-N 0 0 318.417 3.025 20 10 DGCDRN CC1(C)CCC[C@@H](N2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000819168141 628104484 /nfs/dbraw/zinc/10/44/84/628104484.db2.gz LTFWVSLHXFPLBR-CQSZACIVSA-N 0 0 316.401 3.125 20 10 DGCDRN CCCC1(CN2C(=O)CN(Cc3ccccc3O)C2=O)CCC1 ZINC000819169691 628104687 /nfs/dbraw/zinc/10/46/87/628104687.db2.gz CBEGSRUGFDCGLR-UHFFFAOYSA-N 0 0 316.401 3.127 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)/C=C/[C@H]2CCCO2)cc1F ZINC000819261137 628122713 /nfs/dbraw/zinc/12/27/13/628122713.db2.gz ZWWLMWRQKRDKLB-TUPIDYKKSA-N 0 0 320.408 3.023 20 10 DGCDRN CCCOc1ccccc1NC[C@H](O)COc1ccccc1 ZINC000819397658 628147252 /nfs/dbraw/zinc/14/72/52/628147252.db2.gz GUGMQWBHQQMINP-HNNXBMFYSA-N 0 0 301.386 3.327 20 10 DGCDRN CCCOc1ccccc1NC[C@H](O)COCc1ccccc1 ZINC000819398395 628148047 /nfs/dbraw/zinc/14/80/47/628148047.db2.gz MEYVAKXTZQXEQK-KRWDZBQOSA-N 0 0 315.413 3.465 20 10 DGCDRN Cc1ccc(C2(C(=O)NCc3ccc(O)c(O)c3)CCC2)cc1 ZINC000819399489 628148238 /nfs/dbraw/zinc/14/82/38/628148238.db2.gz VUVRKJUCGCTAHJ-UHFFFAOYSA-N 0 0 311.381 3.144 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)CCC(C)(C)C)C2)cc1 ZINC000819584944 628171471 /nfs/dbraw/zinc/17/14/71/628171471.db2.gz VCFDQRGSBYDXEH-OAHLLOKOSA-N 0 0 318.461 3.464 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNC(=O)[C@H](C)CC(C)C)C2)cc1 ZINC000819589000 628172357 /nfs/dbraw/zinc/17/23/57/628172357.db2.gz PTHQSSBJDWHDAS-CVEARBPZSA-N 0 0 318.461 3.320 20 10 DGCDRN CCC/C(C)=C/C(=O)N(CC(=O)OCC)Cc1ccccc1O ZINC000819696346 628179856 /nfs/dbraw/zinc/17/98/56/628179856.db2.gz QLSFOWUJIDDKHX-SDNWHVSQSA-N 0 0 319.401 3.030 20 10 DGCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)/C(C)=C(/C)CC ZINC000819697023 628180291 /nfs/dbraw/zinc/18/02/91/628180291.db2.gz LWHFKOOPEASPAX-YPKPFQOOSA-N 0 0 319.401 3.030 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCc3cccnc32)cc1 ZINC000819844231 628195460 /nfs/dbraw/zinc/19/54/60/628195460.db2.gz YQRYKRFLFZFVQE-GOSISDBHSA-N 0 0 323.440 3.274 20 10 DGCDRN COc1ccc(N2CC[C@H](CNc3ccc(F)cn3)C2)cc1 ZINC000819934878 628201508 /nfs/dbraw/zinc/20/15/08/628201508.db2.gz NCSUKWOKPJIMAG-CYBMUJFWSA-N 0 0 301.365 3.168 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000820006203 628211441 /nfs/dbraw/zinc/21/14/41/628211441.db2.gz NMCCVTBFQBNNRR-VIKVFOODSA-N 0 0 318.380 3.381 20 10 DGCDRN Cc1cc(C(=O)N2CC[C@H]2C(F)(F)F)c(C)n1-c1ccccn1 ZINC000820024055 628214046 /nfs/dbraw/zinc/21/40/46/628214046.db2.gz SMFZUMBGGOHWPQ-ZDUSSCGKSA-N 0 0 323.318 3.266 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000820295011 628243237 /nfs/dbraw/zinc/24/32/37/628243237.db2.gz GDARMZACFKJJOH-SMDDNHRTSA-N 0 0 300.362 3.254 20 10 DGCDRN CC(C)C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000820302787 628244647 /nfs/dbraw/zinc/24/46/47/628244647.db2.gz IYUJPCXOUDFXJM-UHFFFAOYSA-N 0 0 302.378 3.357 20 10 DGCDRN O=C(N[C@@H]1C=CCC1)N(Cc1ccco1)Cc1ccccc1O ZINC000821085184 628335726 /nfs/dbraw/zinc/33/57/26/628335726.db2.gz CSYAXNCDACKNDX-OAHLLOKOSA-N 0 0 312.369 3.416 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CS[C@@H](C)C1 ZINC000840417347 628343683 /nfs/dbraw/zinc/34/36/83/628343683.db2.gz IBPMHDXUQBOFIH-JSGCOSHPSA-N 0 0 308.447 3.208 20 10 DGCDRN C[C@H](CC(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CCCO1 ZINC000821844121 628402928 /nfs/dbraw/zinc/40/29/28/628402928.db2.gz YRVFEKRCVWBRNW-CRAIPNDOSA-N 0 0 316.445 3.108 20 10 DGCDRN CC(C)(C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000821875559 628406741 /nfs/dbraw/zinc/40/67/41/628406741.db2.gz LLEOMYPTBFMYSC-LBPRGKRZSA-N 0 0 302.378 3.357 20 10 DGCDRN CC[C@@H](CC(F)(F)F)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000821950366 628412071 /nfs/dbraw/zinc/41/20/71/628412071.db2.gz QZRCHKALINITPK-VIFPVBQESA-N 0 0 316.283 3.310 20 10 DGCDRN Cc1cc(O)c(C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1C ZINC000822210777 628429460 /nfs/dbraw/zinc/42/94/60/628429460.db2.gz QQUUQBOETKRETG-ZDUSSCGKSA-N 0 0 323.400 3.040 20 10 DGCDRN Cc1cc(CCNC(=O)[C@@H]2CC2(F)F)c(C)n1-c1ccccc1 ZINC000822274060 628434774 /nfs/dbraw/zinc/43/47/74/628434774.db2.gz NRGNFRRJNCBTCT-INIZCTEOSA-N 0 0 318.367 3.408 20 10 DGCDRN CC/C(C)=C\C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000822786214 628494673 /nfs/dbraw/zinc/49/46/73/628494673.db2.gz NHJOKWINKBESGV-SEWDUPMJSA-N 0 0 302.418 3.057 20 10 DGCDRN CC/C(C)=C/C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000822786215 628494904 /nfs/dbraw/zinc/49/49/04/628494904.db2.gz NHJOKWINKBESGV-SZGUKTLCSA-N 0 0 302.418 3.057 20 10 DGCDRN CO[C@@H]1CC[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000822897843 628507168 /nfs/dbraw/zinc/50/71/68/628507168.db2.gz CUPRNLLEUWJSPY-FUHWJXTLSA-N 0 0 318.461 3.305 20 10 DGCDRN CC(C)Cc1ccc(C(=O)NCc2ccc(O)cc2O)s1 ZINC000822971271 628514268 /nfs/dbraw/zinc/51/42/68/628514268.db2.gz BLSXFOZOWGGJOX-UHFFFAOYSA-N 0 0 305.399 3.288 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[C@H]3C[C@H]3C2)cc1F ZINC000823006224 628518180 /nfs/dbraw/zinc/51/81/80/628518180.db2.gz CWNBXKJTNVAWLX-QDMKHBRRSA-N 0 0 319.424 3.270 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)N[C@@H]3CC34CC4)cc2)CC1 ZINC000823001701 628518242 /nfs/dbraw/zinc/51/82/42/628518242.db2.gz OTUWXMQRNZWNJU-QGZVFWFLSA-N 0 0 313.445 3.275 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2Cc3cccnc3C2)c1O ZINC000823006747 628518584 /nfs/dbraw/zinc/51/85/84/628518584.db2.gz OAFDSODZKVTVLS-UHFFFAOYSA-N 0 0 302.761 3.159 20 10 DGCDRN CC1(C)CN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C1CC1 ZINC000823023659 628519626 /nfs/dbraw/zinc/51/96/26/628519626.db2.gz JFIGBCIXVVDSTI-ZDUSSCGKSA-N 0 0 300.362 3.110 20 10 DGCDRN C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000823180859 628534105 /nfs/dbraw/zinc/53/41/05/628534105.db2.gz GQGHGQCUIIUSHT-MPESAESLSA-N 0 0 310.397 3.239 20 10 DGCDRN Cc1nc(C2(NC(=O)C3=CC(=O)CS3)CCCCCC2)no1 ZINC000823204039 628536492 /nfs/dbraw/zinc/53/64/92/628536492.db2.gz VLZGOHNFQHXSJI-UHFFFAOYSA-N 0 0 321.402 3.125 20 10 DGCDRN CCCC[C@](C)(F)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000823293127 628547311 /nfs/dbraw/zinc/54/73/11/628547311.db2.gz XZQKFAKOOHAELD-SFHVURJKSA-N 0 0 322.424 3.058 20 10 DGCDRN Cc1ncccc1/C=C\C(=O)NCCCSc1nccs1 ZINC000823297278 628547760 /nfs/dbraw/zinc/54/77/60/628547760.db2.gz AQYNEHRXANGNKZ-WAYWQWQTSA-N 0 0 319.455 3.158 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC(C2CC2)C1 ZINC000840481389 628583307 /nfs/dbraw/zinc/58/33/07/628583307.db2.gz DHZSJLBHYJKZAB-CQSZACIVSA-N 0 0 315.461 3.043 20 10 DGCDRN COc1cccc(CNC(=O)NC[C@H](C)C2CCCCC2)c1O ZINC000823657150 628583738 /nfs/dbraw/zinc/58/37/38/628583738.db2.gz AQYWYLLKVKRMNV-ZDUSSCGKSA-N 0 0 320.433 3.416 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cc(Cl)no1 ZINC000823662610 628584851 /nfs/dbraw/zinc/58/48/51/628584851.db2.gz KPISHSRZEZEJNU-NSHDSACASA-N 0 0 321.808 3.063 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNC(=O)CC(C)=C(C)C)C2)cc1 ZINC000823775750 628595645 /nfs/dbraw/zinc/59/56/45/628595645.db2.gz HERBOQIIJUCLKA-INIZCTEOSA-N 0 0 316.445 3.384 20 10 DGCDRN COc1cccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000824162341 628633637 /nfs/dbraw/zinc/63/36/37/628633637.db2.gz YAFOROADXGAYSG-LBPRGKRZSA-N 0 0 314.389 3.039 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCC3(CC3(F)F)CC2)cc1 ZINC000824212943 628637193 /nfs/dbraw/zinc/63/71/93/628637193.db2.gz CXVICDGDUGLDRJ-UHFFFAOYSA-N 0 0 322.315 3.110 20 10 DGCDRN CCCn1nccc1C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000824234834 628641368 /nfs/dbraw/zinc/64/13/68/628641368.db2.gz UDSUKIGOMCBFPV-UHFFFAOYSA-N 0 0 314.433 3.021 20 10 DGCDRN CC[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2[O-])CCO1 ZINC000824291788 628647379 /nfs/dbraw/zinc/64/73/79/628647379.db2.gz HLDSLNMSYVTDND-VXGBXAGGSA-N 0 0 314.223 3.202 20 10 DGCDRN CC[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2[O-])CCO1 ZINC000824291785 628647855 /nfs/dbraw/zinc/64/78/55/628647855.db2.gz HLDSLNMSYVTDND-NWDGAFQWSA-N 0 0 314.223 3.202 20 10 DGCDRN C[C@H]1CSc2ccccc2N(C(=O)/C=C\c2cn(C)cn2)C1 ZINC000824462106 628662369 /nfs/dbraw/zinc/66/23/69/628662369.db2.gz PJUDYOPDLCSTQP-MEJMFZKBSA-N 0 0 313.426 3.208 20 10 DGCDRN Cn1ccnc1[C@H]1N(Cc2cc(Cl)ccc2O)CC1(C)C ZINC000824620362 628678054 /nfs/dbraw/zinc/67/80/54/628678054.db2.gz LOEIWGKDWBPWTH-CQSZACIVSA-N 0 0 305.809 3.362 20 10 DGCDRN COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000824625646 628678211 /nfs/dbraw/zinc/67/82/11/628678211.db2.gz MUQGZJPTDARCSZ-OCCSQVGLSA-N 0 0 311.809 3.257 20 10 DGCDRN Cc1ncsc1CC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000824738765 628688360 /nfs/dbraw/zinc/68/83/60/628688360.db2.gz QTFVREMTGUJEDD-UHFFFAOYSA-N 0 0 300.786 3.282 20 10 DGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@@H]2CCCC2(F)F)c1[O-] ZINC000824798281 628694575 /nfs/dbraw/zinc/69/45/75/628694575.db2.gz BPAWGEQTKRBAIN-VIFPVBQESA-N 0 0 320.723 3.479 20 10 DGCDRN CN1CC[C@@H]2C[N@H+](Cc3cc(-c4ccccc4)ccc3O)C[C@@H]21 ZINC000824893580 628703573 /nfs/dbraw/zinc/70/35/73/628703573.db2.gz WHFRVKLLFAKHGL-MJGOQNOKSA-N 0 0 308.425 3.195 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cnc2[nH]ccc2c1 ZINC000824982266 628713013 /nfs/dbraw/zinc/71/30/13/628713013.db2.gz DHXPGXAGFBKZHZ-UHFFFAOYSA-N 0 0 320.396 3.045 20 10 DGCDRN COc1cccc(O)c1CN1CCOC[C@H]1c1ccc(F)cc1 ZINC000825045432 628719907 /nfs/dbraw/zinc/71/99/07/628719907.db2.gz DIXYEOBHSBYVNS-INIZCTEOSA-N 0 0 317.360 3.113 20 10 DGCDRN Oc1c(F)cccc1CN1CCOC[C@H]1c1ccc(F)cc1 ZINC000825045683 628720194 /nfs/dbraw/zinc/72/01/94/628720194.db2.gz JGUYQBBMRWAELJ-INIZCTEOSA-N 0 0 305.324 3.244 20 10 DGCDRN COc1ccc(O)c(CN2CCOC[C@@H]2c2ccc(F)cc2)c1 ZINC000825046222 628720620 /nfs/dbraw/zinc/72/06/20/628720620.db2.gz QVJHSHXKEJZEPR-QGZVFWFLSA-N 0 0 317.360 3.113 20 10 DGCDRN CC1(C)C[C@H](O)CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000825090955 628727047 /nfs/dbraw/zinc/72/70/47/628727047.db2.gz OSIANHGDVKMJTA-SNVBAGLBSA-N 0 0 301.789 3.168 20 10 DGCDRN CC(C)[N@@H+]1CC[C@@H](N(C)Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000825337983 628751412 /nfs/dbraw/zinc/75/14/12/628751412.db2.gz KFMGIDWJMRNWIR-GFCCVEGCSA-N 0 0 300.805 3.099 20 10 DGCDRN C[C@@H]1CN(Cc2ccc(Br)cc2O)[C@H](C)[C@H](C)O1 ZINC000825634623 628780001 /nfs/dbraw/zinc/78/00/01/628780001.db2.gz PAXHMMUAVVHZFN-MXWKQRLJSA-N 0 0 314.223 3.152 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCS[C@H]2C)cc1 ZINC000825721626 628790654 /nfs/dbraw/zinc/79/06/54/628790654.db2.gz QNJMMXDRZRHBRI-XJKSGUPXSA-N 0 0 321.490 3.226 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCS[C@@H]2C)cc1 ZINC000825721624 628790727 /nfs/dbraw/zinc/79/07/27/628790727.db2.gz QNJMMXDRZRHBRI-CJNGLKHVSA-N 0 0 321.490 3.226 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CC23CCSCC3)c1 ZINC000825736912 628792881 /nfs/dbraw/zinc/79/28/81/628792881.db2.gz NCEFORWLWJFYQC-BXUZGUMPSA-N 0 0 321.442 3.111 20 10 DGCDRN Cn1cc(NCc2ccc(Br)cc2O)c(C2CC2)n1 ZINC000825955991 628814835 /nfs/dbraw/zinc/81/48/35/628814835.db2.gz WBJGCCHRIQUHHR-UHFFFAOYSA-N 0 0 322.206 3.378 20 10 DGCDRN Cc1cnccc1/C=C\C(=O)NCc1ccc(N(C)C)cc1C ZINC000825980439 628817688 /nfs/dbraw/zinc/81/76/88/628817688.db2.gz CTOLWIOGIAGFEM-VURMDHGXSA-N 0 0 309.413 3.094 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CC(C)(CC(F)F)C2)cc1OC ZINC000826594032 628862784 /nfs/dbraw/zinc/86/27/84/628862784.db2.gz YGGOGTIQGZYLGL-UHFFFAOYSA-N 0 0 316.304 3.094 20 10 DGCDRN CN(C)c1ccc(CN(C)Cc2c[nH]cn2)c(C(F)(F)F)c1 ZINC000826768782 628884439 /nfs/dbraw/zinc/88/44/39/628884439.db2.gz DCKMATRMEOEVEI-UHFFFAOYSA-N 0 0 312.339 3.127 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Cc2occc2C)cc1F ZINC000826943641 628905588 /nfs/dbraw/zinc/90/55/88/628905588.db2.gz XDFRWQNHMKFAFQ-UHFFFAOYSA-N 0 0 318.392 3.432 20 10 DGCDRN COc1c([O-])c(C[NH2+]Cc2cc(C)cc(C)c2)ccc1[N+](=O)[O-] ZINC000827093126 628920662 /nfs/dbraw/zinc/92/06/62/628920662.db2.gz DKUOCSCAVILQIV-UHFFFAOYSA-N 0 0 316.357 3.216 20 10 DGCDRN Cc1cc(CNC(=O)CC2(C)COC2)c(C)n1-c1ccccc1 ZINC000827504601 628965576 /nfs/dbraw/zinc/96/55/76/628965576.db2.gz KZUXMVHGZHXDKJ-UHFFFAOYSA-N 0 0 312.413 3.137 20 10 DGCDRN COc1cccc2c1CCCCN2C(=O)/C=C(\C)c1cnccn1 ZINC000827667454 628981164 /nfs/dbraw/zinc/98/11/64/628981164.db2.gz GQZFTXNLWCEVQL-WYMLVPIESA-N 0 0 323.396 3.258 20 10 DGCDRN CCCN(C)CC(C)(C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000827722623 628985976 /nfs/dbraw/zinc/98/59/76/628985976.db2.gz PBDCCWYMABBCGS-UHFFFAOYSA-N 0 0 302.821 3.395 20 10 DGCDRN C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000827733793 628986777 /nfs/dbraw/zinc/98/67/77/628986777.db2.gz OHOJNGWSMLSTKV-WBMJQRKESA-N 0 0 305.805 3.300 20 10 DGCDRN C[N@H+](CC1=CCSC1)Cc1cc(Br)ccc1O ZINC000827806545 628993185 /nfs/dbraw/zinc/99/31/85/628993185.db2.gz UAOXRYNAQPCOJM-UHFFFAOYSA-N 0 0 314.248 3.260 20 10 DGCDRN CCN(Cc1ccc(N2CCOCC2)cc1)c1cccc(O)c1 ZINC000827908252 629002580 /nfs/dbraw/zinc/00/25/80/629002580.db2.gz NCYJLPWCUJULEC-UHFFFAOYSA-N 0 0 312.413 3.255 20 10 DGCDRN CN(Cc1ccc(N2CCOCC2)c(F)c1)c1cccc(O)c1 ZINC000827908672 629002655 /nfs/dbraw/zinc/00/26/55/629002655.db2.gz QAYGRCLDVFUUGM-UHFFFAOYSA-N 0 0 316.376 3.004 20 10 DGCDRN COc1ccc(OCCC(=O)N[C@H](C)c2ccccc2O)cc1 ZINC000827917977 629003621 /nfs/dbraw/zinc/00/36/21/629003621.db2.gz RZHRRWSSISWKMK-CYBMUJFWSA-N 0 0 315.369 3.047 20 10 DGCDRN CCOc1ccc(C(=O)N[C@H](C)c2ccccc2O)cc1OC ZINC000827923625 629004328 /nfs/dbraw/zinc/00/43/28/629004328.db2.gz WJLFLJRRQFAQFZ-GFCCVEGCSA-N 0 0 315.369 3.291 20 10 DGCDRN Cc1nn(C(F)F)c(C)c1CC(=O)N[C@H](C)c1ccccc1O ZINC000827930386 629004639 /nfs/dbraw/zinc/00/46/39/629004639.db2.gz IUOZXBSDQXJYFZ-SECBINFHSA-N 0 0 323.343 3.021 20 10 DGCDRN C[C@@H](NC(=O)[C@@](C)(O)[C@H](C)c1ccccc1)c1ccccc1O ZINC000827937220 629005442 /nfs/dbraw/zinc/00/54/42/629005442.db2.gz OYRSUZGSENLSFC-LPMFXHHGSA-N 0 0 313.397 3.124 20 10 DGCDRN C[C@@H](NC(=O)C[C@H](C)C(=O)c1ccccc1)c1ccccc1O ZINC000827937369 629005527 /nfs/dbraw/zinc/00/55/27/629005527.db2.gz UEVRVCNXFSQDCZ-UONOGXRCSA-N 0 0 311.381 3.479 20 10 DGCDRN CCC(CC)n1ccc(C(=O)N[C@H](C)c2ccccc2O)n1 ZINC000827940801 629005920 /nfs/dbraw/zinc/00/59/20/629005920.db2.gz IPCAWCBTCCRWEX-GFCCVEGCSA-N 0 0 301.390 3.441 20 10 DGCDRN COc1ccc(C[C@@H](C)C(=O)N[C@H](C)c2ccccc2O)cc1 ZINC000827940326 629006078 /nfs/dbraw/zinc/00/60/78/629006078.db2.gz ARALKXCGQCIIOQ-ZIAGYGMSSA-N 0 0 313.397 3.457 20 10 DGCDRN CCCCn1ncc(C(=O)N[C@H](C)c2ccccc2O)c1C ZINC000827940808 629006082 /nfs/dbraw/zinc/00/60/82/629006082.db2.gz ITCSVHQIWCIYCZ-GFCCVEGCSA-N 0 0 301.390 3.188 20 10 DGCDRN Cc1cccc(CO[C@H](C)C(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000827955760 629007817 /nfs/dbraw/zinc/00/78/17/629007817.db2.gz DRDDISKNWIRBGU-LSDHHAIUSA-N 0 0 313.397 3.483 20 10 DGCDRN C[C@H](NC(=O)C1(C(=O)OC(C)(C)C)CCC1)c1ccccc1O ZINC000827960427 629008129 /nfs/dbraw/zinc/00/81/29/629008129.db2.gz OXIQZFGSFRAOLY-LBPRGKRZSA-N 0 0 319.401 3.081 20 10 DGCDRN Cc1ccccc1CO[C@H](C)C(=O)N[C@@H](C)c1ccccc1O ZINC000827957655 629008131 /nfs/dbraw/zinc/00/81/31/629008131.db2.gz XJVCOHMLOPJWMB-LSDHHAIUSA-N 0 0 313.397 3.483 20 10 DGCDRN C[C@@H](NC(=O)c1cnn(CC2CCCC2)c1)c1ccccc1O ZINC000827957772 629008277 /nfs/dbraw/zinc/00/82/77/629008277.db2.gz YVCJQAXOWHAFRU-CYBMUJFWSA-N 0 0 313.401 3.270 20 10 DGCDRN C[C@H](NC(=O)[C@H]1CCN(C)c2ccccc21)c1ccccc1O ZINC000827959600 629008295 /nfs/dbraw/zinc/00/82/95/629008295.db2.gz CCGKXASMMMMYDO-BBRMVZONSA-N 0 0 310.397 3.193 20 10 DGCDRN COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC000827960116 629008383 /nfs/dbraw/zinc/00/83/83/629008383.db2.gz JJYOKZGUFSYQJI-VBNZEHGJSA-N 0 0 311.381 3.382 20 10 DGCDRN COc1cccc(OCCC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000827964321 629008683 /nfs/dbraw/zinc/00/86/83/629008683.db2.gz KVUUIDPTJZRPCY-ZDUSSCGKSA-N 0 0 315.369 3.047 20 10 DGCDRN C[C@@H](OCc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccccc1O ZINC000827964348 629008806 /nfs/dbraw/zinc/00/88/06/629008806.db2.gz LMWTWNAAXRZUNV-QWHCGFSZSA-N 0 0 317.360 3.314 20 10 DGCDRN C[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@@](C)(C(F)F)O1 ZINC000827962092 629008836 /nfs/dbraw/zinc/00/88/36/629008836.db2.gz FSCPUMZUXPYIBU-ZBEGNZNMSA-N 0 0 316.367 3.136 20 10 DGCDRN CC(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2O)c(C)nc1C ZINC000827968844 629009371 /nfs/dbraw/zinc/00/93/71/629009371.db2.gz AMLLJTRJAJYJQZ-JTQLQIEISA-N 0 0 312.369 3.098 20 10 DGCDRN C[C@H](NC(=O)c1ccc(NCC2CC2)nc1)c1ccccc1O ZINC000827969847 629009944 /nfs/dbraw/zinc/00/99/44/629009944.db2.gz SGFFUMRMIGDSFK-LBPRGKRZSA-N 0 0 311.385 3.100 20 10 DGCDRN CC(C)Oc1cncc(C(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000827972861 629010014 /nfs/dbraw/zinc/01/00/14/629010014.db2.gz BCOBGTYCDLNLRI-LBPRGKRZSA-N 0 0 300.358 3.065 20 10 DGCDRN CCSc1cc(C(=O)N[C@@H](C)c2ccccc2O)ccn1 ZINC000827978126 629010442 /nfs/dbraw/zinc/01/04/42/629010442.db2.gz IJUAROMCVNKUNH-NSHDSACASA-N 0 0 302.399 3.390 20 10 DGCDRN COc1ccc(N(CC(C)C)C[C@@H]2CCNC(=O)CC2)cc1 ZINC000828206064 629033115 /nfs/dbraw/zinc/03/31/15/629033115.db2.gz OUENDWKREDILNQ-HNNXBMFYSA-N 0 0 304.434 3.074 20 10 DGCDRN CCCCN(Cc1nc(C2CC2)nn1C)Cc1ccccc1O ZINC000828469852 629057606 /nfs/dbraw/zinc/05/76/06/629057606.db2.gz UXNNSHYKCJYFRM-UHFFFAOYSA-N 0 0 314.433 3.200 20 10 DGCDRN COc1ccc(N(C)C[C@H](O)[C@@H](C)c2ccccc2)c(OC)c1 ZINC000828474178 629058154 /nfs/dbraw/zinc/05/81/54/629058154.db2.gz CQYXTHLVJSYKCE-KSSFIOAISA-N 0 0 315.413 3.305 20 10 DGCDRN C[C@@H](NC(=O)C[C@@H]1CC[C@H](C(F)(F)F)O1)c1ccccc1O ZINC000828539437 629064464 /nfs/dbraw/zinc/06/44/64/629064464.db2.gz OUJQBZHTPQJRBA-GBIKHYSHSA-N 0 0 317.307 3.069 20 10 DGCDRN COC(=O)c1cnc(SCCOc2ccccc2C)s1 ZINC000829692309 629183093 /nfs/dbraw/zinc/18/30/93/629183093.db2.gz JFYXKBIJYMOJIA-UHFFFAOYSA-N 0 0 309.412 3.409 20 10 DGCDRN Cc1cc(O)c(C[N@H+](C)[C@H]2CCN(C(=O)[O-])C2)cc1C(C)C ZINC000830121990 629227537 /nfs/dbraw/zinc/22/75/37/629227537.db2.gz IUEBMUBUFMVMGB-AWEZNQCLSA-N 0 0 306.406 3.008 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cccc(N2CCCC2)c1 ZINC000830141488 629229525 /nfs/dbraw/zinc/22/95/25/629229525.db2.gz VJLNNSSLXFRZMR-UHFFFAOYSA-N 0 0 310.397 3.265 20 10 DGCDRN CCCCCc1cc(C(=O)N(C)Cc2ccccc2O)[nH]n1 ZINC000830140902 629229572 /nfs/dbraw/zinc/22/95/72/629229572.db2.gz KHFYPGSBQNMUII-UHFFFAOYSA-N 0 0 301.390 3.120 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)OC3CCCC3)CC2)cc1 ZINC000830351978 629257229 /nfs/dbraw/zinc/25/72/29/629257229.db2.gz FTYZQUNUWSSNIL-UHFFFAOYSA-N 0 0 318.417 3.333 20 10 DGCDRN CC(C)c1nnc(N(C)Cc2ccccc2O)n1CC1CC1 ZINC000830651137 629292705 /nfs/dbraw/zinc/29/27/05/629292705.db2.gz BUMJKWZUMROXLW-UHFFFAOYSA-N 0 0 300.406 3.154 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)OC3(CCC3)C2)c1O ZINC000830716577 629297676 /nfs/dbraw/zinc/29/76/76/629297676.db2.gz WYNIMUGNKARGNY-LLVKDONJSA-N 0 0 323.820 3.392 20 10 DGCDRN CC[N@H+](CCSC)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000830999443 629329340 /nfs/dbraw/zinc/32/93/40/629329340.db2.gz LTURBAHHKHBNQG-UHFFFAOYSA-N 0 0 301.839 3.433 20 10 DGCDRN CC(C)(CNC(=O)NCCc1ccc(N)cc1)CC(F)(F)F ZINC000831102999 629338127 /nfs/dbraw/zinc/33/81/27/629338127.db2.gz BJBAMVKZUSJSFI-UHFFFAOYSA-N 0 0 317.355 3.089 20 10 DGCDRN Nc1ccc(CC(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000831133198 629342388 /nfs/dbraw/zinc/34/23/88/629342388.db2.gz SSSNOMDGOBHQKT-OLZOCXBDSA-N 0 0 314.351 3.296 20 10 DGCDRN O=C([O-])N[C@@H](C[NH2+]Cc1c(O)cccc1Cl)c1ccccc1 ZINC000832139863 629445008 /nfs/dbraw/zinc/44/50/08/629445008.db2.gz CUAYHZGXPQVLFQ-AWEZNQCLSA-N 0 0 320.776 3.144 20 10 DGCDRN COc1ccc(NC(=O)Cc2ccc(N)cc2)cc1OC(C)C ZINC000832152020 629446231 /nfs/dbraw/zinc/44/62/31/629446231.db2.gz MMVQYIRNNJUWBN-UHFFFAOYSA-N 0 0 314.385 3.246 20 10 DGCDRN Cc1cc(C)cc([C@@H]2CCN(C(=O)Cc3ccc(N)cc3)C2)c1 ZINC000832152566 629446306 /nfs/dbraw/zinc/44/63/06/629446306.db2.gz RJSSNASQWSMLJZ-QGZVFWFLSA-N 0 0 308.425 3.444 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@]3(CCOC3)C2)c1[O-] ZINC000832343801 629469927 /nfs/dbraw/zinc/46/99/27/629469927.db2.gz LVQMNVYBYSIFLU-KRWDZBQOSA-N 0 0 323.820 3.251 20 10 DGCDRN C[C@@H](NC(=O)C1CC2(CC2(F)F)C1)c1ccc(N(C)C)cc1 ZINC000832436685 629479892 /nfs/dbraw/zinc/47/98/92/629479892.db2.gz NNHGDQXVUGSYMH-FFKNIBCLSA-N 0 0 308.372 3.365 20 10 DGCDRN C[C@H](NC(=O)CCCc1cccnc1)c1ccc(N(C)C)cc1 ZINC000832436860 629480159 /nfs/dbraw/zinc/48/01/59/629480159.db2.gz RWVCTSJJGUJWTM-HNNXBMFYSA-N 0 0 311.429 3.348 20 10 DGCDRN COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC000833733813 629644294 /nfs/dbraw/zinc/64/42/94/629644294.db2.gz RIDQRZUBHPJOPE-VHSXEESVSA-N 0 0 305.330 3.104 20 10 DGCDRN COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000833733372 629644367 /nfs/dbraw/zinc/64/43/67/629644367.db2.gz FQISFHJADXDBRT-QLJPJBMISA-N 0 0 319.332 3.016 20 10 DGCDRN Cc1cc(O)c(C[N@@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1C ZINC000833746931 629645749 /nfs/dbraw/zinc/64/57/49/629645749.db2.gz LYTCXRJNHVNRJQ-HNNXBMFYSA-N 0 0 305.418 3.332 20 10 DGCDRN O=C([O-])N[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ccccc21 ZINC000834159709 629674674 /nfs/dbraw/zinc/67/46/74/629674674.db2.gz WAZQLNNIZWLSAM-IAGOWNOFSA-N 0 0 324.380 3.165 20 10 DGCDRN COC(=O)c1cnc(SC[C@@H](O)[C@@H](C)c2ccccc2)s1 ZINC000834382641 629702270 /nfs/dbraw/zinc/70/22/70/629702270.db2.gz OJLDZTUCCGAZNY-CMPLNLGQSA-N 0 0 323.439 3.186 20 10 DGCDRN COC(=O)c1cnc(SC[C@H](O)[C@@H](C)c2ccccc2)s1 ZINC000834382643 629702466 /nfs/dbraw/zinc/70/24/66/629702466.db2.gz OJLDZTUCCGAZNY-JQWIXIFHSA-N 0 0 323.439 3.186 20 10 DGCDRN COC(=O)c1cnc(SC[C@@H](O)c2ccccc2C)s1 ZINC000834383480 629702605 /nfs/dbraw/zinc/70/26/05/629702605.db2.gz UFEPGYXTGLZGBI-LLVKDONJSA-N 0 0 309.412 3.064 20 10 DGCDRN COc1cccc(C)c1/C=C1/SC(N2CCCCC2)=NC1=O ZINC000834408829 629706587 /nfs/dbraw/zinc/70/65/87/629706587.db2.gz NDYOBIMGVLTEQE-RVDMUPIBSA-N 0 0 316.426 3.460 20 10 DGCDRN CCOC(=O)Cc1cnc(NCc2cc(C)c(C)cc2O)s1 ZINC000834482330 629716453 /nfs/dbraw/zinc/71/64/53/629716453.db2.gz CUPXJSPLGPXFPL-UHFFFAOYSA-N 0 0 320.414 3.183 20 10 DGCDRN C[C@@H](CCCc1cccnc1)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000834554821 629726839 /nfs/dbraw/zinc/72/68/39/629726839.db2.gz GYRWSIMLXSQLOJ-ZDUSSCGKSA-N 0 0 315.373 3.196 20 10 DGCDRN CN(C)c1ccc(CN(C)S(=O)(=O)CC2CCCCC2)cc1 ZINC000101569294 629741853 /nfs/dbraw/zinc/74/18/53/629741853.db2.gz DKLQXMBSLGOUFB-UHFFFAOYSA-N 0 0 324.490 3.095 20 10 DGCDRN O=C1C[C@@H](c2cccc(N[C@H]3CCc4cccc(O)c43)c2)CN1 ZINC000834755386 629773906 /nfs/dbraw/zinc/77/39/06/629773906.db2.gz FVTXGVFFDDIFDA-ZBFHGGJFSA-N 0 0 308.381 3.095 20 10 DGCDRN CC(=O)N1CCc2c1cccc2N[C@H]1CCc2cccc(O)c21 ZINC000834768696 629776225 /nfs/dbraw/zinc/77/62/25/629776225.db2.gz DPVVESPETOMGFX-INIZCTEOSA-N 0 0 308.381 3.401 20 10 DGCDRN CC[C@@H]([NH2+]C(COC)COC)c1ccc(Cl)c(Cl)c1[O-] ZINC000834891099 629798493 /nfs/dbraw/zinc/79/84/93/629798493.db2.gz MXROXMVNTYDMOU-GFCCVEGCSA-N 0 0 322.232 3.401 20 10 DGCDRN C[C@@H]([NH2+]CCOCC1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834909214 629806254 /nfs/dbraw/zinc/80/62/54/629806254.db2.gz JXNRHWSCGKHYFN-GFCCVEGCSA-N 0 0 308.378 3.158 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCC2CC(F)(F)C2)c1 ZINC000834909764 629806664 /nfs/dbraw/zinc/80/66/64/629806664.db2.gz TZRIWLNTUONYJN-SNVBAGLBSA-N 0 0 313.344 3.265 20 10 DGCDRN CNC(=O)Cc1ccc(NC/C=C\c2ccc(N(C)C)cc2)cc1 ZINC000835028771 629829135 /nfs/dbraw/zinc/82/91/35/629829135.db2.gz KSLCOSYZTVKJIZ-PLNGDYQASA-N 0 0 323.440 3.166 20 10 DGCDRN C[C@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C ZINC000835032970 629829695 /nfs/dbraw/zinc/82/96/95/629829695.db2.gz NDUJPBLULYVZJE-NPQIQWPPSA-N 0 0 304.434 3.086 20 10 DGCDRN CN(C)c1ccc(/C=C/CNc2cnn(CC(F)F)c2)cc1 ZINC000835033821 629829724 /nfs/dbraw/zinc/82/97/24/629829724.db2.gz XMXXTOBWQHBWET-ONEGZZNKSA-N 0 0 306.360 3.340 20 10 DGCDRN COC[C@@H](NC/C=C\c1ccc(N(C)C)cc1)c1ccco1 ZINC000835043598 629833940 /nfs/dbraw/zinc/83/39/40/629833940.db2.gz SOOMPSADASYBSF-XQDHMALISA-N 0 0 300.402 3.336 20 10 DGCDRN Cc1nnc([C@@H](C)NC/C=C\c2ccc(N(C)C)cc2)s1 ZINC000835046930 629834868 /nfs/dbraw/zinc/83/48/68/629834868.db2.gz AJKMQVVFLJPBNW-FOQNGQEVSA-N 0 0 302.447 3.277 20 10 DGCDRN CN(C)c1ccc(/C=C/CN2CCOC[C@H]2CC(F)F)cc1 ZINC000835053547 629837712 /nfs/dbraw/zinc/83/77/12/629837712.db2.gz NWKVJINSAHYGNP-QDLOVBKTSA-N 0 0 310.388 3.122 20 10 DGCDRN COCCc1ccnc(NC/C=C\c2ccc(N(C)C)cc2)c1 ZINC000835053140 629837855 /nfs/dbraw/zinc/83/78/55/629837855.db2.gz SZTGSWTUPRKLFT-PLNGDYQASA-N 0 0 311.429 3.462 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@H]2CC[C@H](C)O2)c1 ZINC000835086086 629847478 /nfs/dbraw/zinc/84/74/78/629847478.db2.gz FBIKOAMCXAAVSR-CMPLNLGQSA-N 0 0 314.223 3.120 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC[C@H]2CC=CCC2)cc1F ZINC000102003134 629903904 /nfs/dbraw/zinc/90/39/04/629903904.db2.gz YFERICZQUQQTQS-ZDUSSCGKSA-N 0 0 305.397 3.047 20 10 DGCDRN Cc1ccncc1CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000836406428 630110040 /nfs/dbraw/zinc/11/00/40/630110040.db2.gz RPLPJPJTAHVXQF-AWEZNQCLSA-N 0 0 312.417 3.016 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1cc2c(cn1)CCC2 ZINC000836697960 630153067 /nfs/dbraw/zinc/15/30/67/630153067.db2.gz CMVVGKCVJFOPSA-UHFFFAOYSA-N 0 0 324.428 3.266 20 10 DGCDRN CC[C@H](NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)[C@H](C)O ZINC000836860676 630175345 /nfs/dbraw/zinc/17/53/45/630175345.db2.gz YVBXXXYZXGUDGP-GUYCJALGSA-N 0 0 318.392 3.122 20 10 DGCDRN Nc1ccc(CNC(=O)[C@@H]2C[C@]23CCCc2ccccc23)cc1 ZINC000837302764 630237233 /nfs/dbraw/zinc/23/72/33/630237233.db2.gz FWRDYZFXTPXDPE-ICSRJNTNSA-N 0 0 306.409 3.179 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1[nH]ccc1C1CC1 ZINC000837342655 630244553 /nfs/dbraw/zinc/24/45/53/630244553.db2.gz XGIUUATUKYHBPG-UHFFFAOYSA-N 0 0 309.413 3.422 20 10 DGCDRN CC(C)[C@@H]1C[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000837624964 630289212 /nfs/dbraw/zinc/28/92/12/630289212.db2.gz DBWFZHFGIFNVQN-DLBZAZTESA-N 0 0 301.434 3.131 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]2C2CC2)cc1 ZINC000837726397 630304088 /nfs/dbraw/zinc/30/40/88/630304088.db2.gz YKIDDYQQCGZVCG-QGZVFWFLSA-N 0 0 301.434 3.227 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)/C=C/c1cccnc1 ZINC000840558562 630337558 /nfs/dbraw/zinc/33/75/58/630337558.db2.gz ZDMFWENYXJBESV-JCVNQNCUSA-N 0 0 323.440 3.217 20 10 DGCDRN CCc1cccc(NC(=S)NCc2ncccc2OC)c1 ZINC000840825270 630362830 /nfs/dbraw/zinc/36/28/30/630362830.db2.gz DLQKADOVRWSLCC-UHFFFAOYSA-N 0 0 301.415 3.139 20 10 DGCDRN CC[C@H](NCc1nccc(C(F)(F)F)n1)c1ccccc1O ZINC000840870073 630369488 /nfs/dbraw/zinc/36/94/88/630369488.db2.gz UTNGNKANMLEAFL-NSHDSACASA-N 0 0 311.307 3.442 20 10 DGCDRN O=C1CC[C@@H](c2cccc(N[C@H]3CCc4cccc(O)c43)c2)N1 ZINC000840883055 630371561 /nfs/dbraw/zinc/37/15/61/630371561.db2.gz CVTNVSCQQIWZOT-HOTGVXAUSA-N 0 0 308.381 3.443 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN(C)Cc1ncc(Cl)n1C ZINC000840936497 630380503 /nfs/dbraw/zinc/38/05/03/630380503.db2.gz KFLXPOKEBSHQSX-UHFFFAOYSA-N 0 0 306.841 3.080 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNCc1nnc(C(C)(C)C)s1 ZINC000840936777 630380697 /nfs/dbraw/zinc/38/06/97/630380697.db2.gz GEOGCQMYXZROMO-UHFFFAOYSA-N 0 0 318.490 3.500 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ccc(OC2COC2)cc1 ZINC000840937986 630381304 /nfs/dbraw/zinc/38/13/04/630381304.db2.gz BKXKQYVCELIDGI-UHFFFAOYSA-N 0 0 312.413 3.451 20 10 DGCDRN Cc1cc(O)c(CN2CC[S@](=O)C(C)(C)CC2)c(Cl)c1 ZINC000840950310 630383233 /nfs/dbraw/zinc/38/32/33/630383233.db2.gz IUJSIFKVRCTCPC-FQEVSTJZSA-N 0 0 315.866 3.087 20 10 DGCDRN Cc1cc(O)c(CNCc2nn(C)cc2Cl)c(Cl)c1 ZINC000840950124 630383354 /nfs/dbraw/zinc/38/33/54/630383354.db2.gz FJVPRNACGHCGSS-UHFFFAOYSA-N 0 0 300.189 3.031 20 10 DGCDRN COCC[C@@H](C)C[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000840955824 630384370 /nfs/dbraw/zinc/38/43/70/630384370.db2.gz XJAVLYOACPSOJV-SNVBAGLBSA-N 0 0 316.239 3.225 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNCc1nnc(C2CC2)s1 ZINC000840973330 630389356 /nfs/dbraw/zinc/38/93/56/630389356.db2.gz JJYOHXNCYOWQJA-UHFFFAOYSA-N 0 0 302.447 3.080 20 10 DGCDRN C[C@@H](C(=O)[O-])[N@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000840995774 630392664 /nfs/dbraw/zinc/39/26/64/630392664.db2.gz VOLLHPWQRIMSPE-HNNXBMFYSA-N 0 0 324.424 3.154 20 10 DGCDRN Cc1nn2c(CNc3ccc(N)cc3)c(C(C)C)nc2s1 ZINC000841040153 630400358 /nfs/dbraw/zinc/40/03/58/630400358.db2.gz KKNVKYOIMUBEQX-UHFFFAOYSA-N 0 0 301.419 3.417 20 10 DGCDRN CC[C@@H](C)n1nc(NC(=O)NCCc2ccc(N)cc2)cc1C ZINC000841174126 630413917 /nfs/dbraw/zinc/41/39/17/630413917.db2.gz UNGSDYLPFMXGLV-GFCCVEGCSA-N 0 0 315.421 3.109 20 10 DGCDRN CCC1(CC)[C@H](NC(=O)Nc2ccc(N)cc2)[C@@H](C)[C@H]1OC ZINC000841295580 630424096 /nfs/dbraw/zinc/42/40/96/630424096.db2.gz BVCYYYKCXICKHD-KCPJHIHWSA-N 0 0 305.422 3.230 20 10 DGCDRN CC(C)N(CCc1nccs1)C(=O)Nc1ccc(N)cc1 ZINC000841297443 630424522 /nfs/dbraw/zinc/42/45/22/630424522.db2.gz FGEQJCITEQUTCN-UHFFFAOYSA-N 0 0 304.419 3.210 20 10 DGCDRN COc1ccc(C[C@H](C)CNC(=O)Nc2ccc(N)cc2)cc1 ZINC000841298896 630424542 /nfs/dbraw/zinc/42/45/42/630424542.db2.gz SZAZADWSVNOVEP-ZDUSSCGKSA-N 0 0 313.401 3.278 20 10 DGCDRN Nc1ccc(NC(=O)NC2(c3nccs3)CCCC2)cc1 ZINC000841299989 630424947 /nfs/dbraw/zinc/42/49/47/630424947.db2.gz LBUPBOCQWSBIPB-UHFFFAOYSA-N 0 0 302.403 3.316 20 10 DGCDRN CN1C(=O)/C(=C\c2ccc3c(c2)OCCCCO3)SC1=S ZINC000841495457 630442253 /nfs/dbraw/zinc/44/22/53/630442253.db2.gz JHXILCBGNXMBTB-UKTHLTGXSA-N 0 0 321.423 3.069 20 10 DGCDRN COc1ccc(F)c(/C=C2\SC(=S)N(C3CC3)C2=O)c1 ZINC000841494894 630442386 /nfs/dbraw/zinc/44/23/86/630442386.db2.gz DSCCJROTAHWIHU-GHXNOFRVSA-N 0 0 309.387 3.198 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N(C)CCCCOC)cc1 ZINC000841583601 630446576 /nfs/dbraw/zinc/44/65/76/630446576.db2.gz VCFGLQSDLXRSGM-UHFFFAOYSA-N 0 0 321.465 3.101 20 10 DGCDRN CO[C@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)CC(C)C ZINC000841583995 630446640 /nfs/dbraw/zinc/44/66/40/630446640.db2.gz WTZJLOYXDMMTOS-PBHICJAKSA-N 0 0 321.465 3.174 20 10 DGCDRN C[C@H](CCc1ccccc1)NC(=O)NCCc1ccc(N)cc1 ZINC000841613370 630448459 /nfs/dbraw/zinc/44/84/59/630448459.db2.gz ZRYYASVSUFGRBO-OAHLLOKOSA-N 0 0 311.429 3.132 20 10 DGCDRN C[C@@H]([NH2+]CCCOC1CCOCC1)c1ccc(Cl)cc1[O-] ZINC000841752280 630462277 /nfs/dbraw/zinc/46/22/77/630462277.db2.gz SBFKUGSHZRHVNY-GFCCVEGCSA-N 0 0 313.825 3.282 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1COCc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000841761655 630463364 /nfs/dbraw/zinc/46/33/64/630463364.db2.gz QQNQVGWETGHRSH-BDJLRTHQSA-N 0 0 314.341 3.223 20 10 DGCDRN C[C@H]([NH2+][C@@H]1COCc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000841761657 630463407 /nfs/dbraw/zinc/46/34/07/630463407.db2.gz QQNQVGWETGHRSH-MEDUHNTESA-N 0 0 314.341 3.223 20 10 DGCDRN CC(C)[C@@H]1CCC[C@@H](NC(=O)NCCc2ccc(N)cc2)C1 ZINC000841788207 630465173 /nfs/dbraw/zinc/46/51/73/630465173.db2.gz DPELOVWKVPZHPZ-NVXWUHKLSA-N 0 0 303.450 3.325 20 10 DGCDRN Cc1cccc2c1CC[C@@H]2NC(=O)NCCc1ccc(N)cc1 ZINC000841790850 630465296 /nfs/dbraw/zinc/46/52/96/630465296.db2.gz LCADKOYPQMIRNI-SFHVURJKSA-N 0 0 309.413 3.106 20 10 DGCDRN CN(C)c1ccc(C[NH2+][C@H]2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000841813042 630467619 /nfs/dbraw/zinc/46/76/19/630467619.db2.gz SLVUYVPNWNZEIH-RDJZCZTQSA-N 0 0 304.434 3.266 20 10 DGCDRN CCn1cncc1CN(Cc1ccco1)Cc1ccccc1O ZINC000841828005 630469496 /nfs/dbraw/zinc/46/94/96/630469496.db2.gz SXZJCAUQXFUOLZ-UHFFFAOYSA-N 0 0 311.385 3.404 20 10 DGCDRN C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841850225 630470826 /nfs/dbraw/zinc/47/08/26/630470826.db2.gz FVHVEJKGNWXVOO-CJNGLKHVSA-N 0 0 303.450 3.325 20 10 DGCDRN C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841850226 630470938 /nfs/dbraw/zinc/47/09/38/630470938.db2.gz FVHVEJKGNWXVOO-CZUORRHYSA-N 0 0 303.450 3.325 20 10 DGCDRN CC(C)CC[C@H]1CCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841961039 630477180 /nfs/dbraw/zinc/47/71/80/630477180.db2.gz ZNWRVQTVVASPAC-QGZVFWFLSA-N 0 0 303.450 3.422 20 10 DGCDRN CCS[C@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)C(C)C ZINC000104900724 630573987 /nfs/dbraw/zinc/57/39/87/630573987.db2.gz GLJMYYILDODKHN-NHYWBVRUSA-N 0 0 311.447 3.356 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)CCC(F)F)C2)cc1 ZINC000842875392 630587983 /nfs/dbraw/zinc/58/79/83/630587983.db2.gz LIHLDJUFKJWICQ-GFCCVEGCSA-N 0 0 313.344 3.110 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)C3(CCF)CC3)C2)cc1 ZINC000842872973 630588013 /nfs/dbraw/zinc/58/80/13/630588013.db2.gz FGIIQLOKYQBISG-AWEZNQCLSA-N 0 0 321.392 3.205 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)CCC(F)F)C2)cc1 ZINC000842875393 630588016 /nfs/dbraw/zinc/58/80/16/630588016.db2.gz LIHLDJUFKJWICQ-LBPRGKRZSA-N 0 0 313.344 3.110 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)C3(C)CCC3)C2)cc1 ZINC000842880535 630589244 /nfs/dbraw/zinc/58/92/44/630589244.db2.gz ZEJNGJFLMLZAGY-AWEZNQCLSA-N 0 0 303.402 3.255 20 10 DGCDRN Cc1cccc2nc(CC[NH2+][C@@H](C)c3ccc(F)cc3[O-])cn21 ZINC000842932954 630594685 /nfs/dbraw/zinc/59/46/85/630594685.db2.gz LXRLPALOHOHZFF-ZDUSSCGKSA-N 0 0 313.376 3.381 20 10 DGCDRN [NH3+][C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)C[C@H]1c1ccccc1 ZINC000843114038 630615304 /nfs/dbraw/zinc/61/53/04/630615304.db2.gz HBTJAONTJWBOQK-SWLSCSKDSA-N 0 0 320.795 3.111 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Nc1cc(F)c(F)cc1F ZINC000105045661 630633922 /nfs/dbraw/zinc/63/39/22/630633922.db2.gz HEOCDBJYBAFWIK-UHFFFAOYSA-N 0 0 310.275 3.473 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C(=O)[O-])cc1F ZINC000843306475 630644505 /nfs/dbraw/zinc/64/45/05/630644505.db2.gz RRJJVFQJYJXUFY-GOEBONIOSA-N 0 0 322.424 3.405 20 10 DGCDRN Oc1c(C[N@@H+]2CCO[C@]3(CCSC3)C2)ccc2ccccc21 ZINC000843418409 630655028 /nfs/dbraw/zinc/65/50/28/630655028.db2.gz STTZDUJIZCVZHD-GOSISDBHSA-N 0 0 315.438 3.253 20 10 DGCDRN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])[C@@H]1SC ZINC000843429379 630657476 /nfs/dbraw/zinc/65/74/76/630657476.db2.gz BUEPUJYJRHUXCG-BZPMIXESSA-N 0 0 319.829 3.183 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)CC2(COC)CC2)cc1 ZINC000843521867 630665222 /nfs/dbraw/zinc/66/52/22/630665222.db2.gz HAPNHJOQEPRLAH-UHFFFAOYSA-N 0 0 318.461 3.308 20 10 DGCDRN CC(C)Cn1nccc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000843582063 630674739 /nfs/dbraw/zinc/67/47/39/630674739.db2.gz YLBPCOXYTZCHNS-AWEZNQCLSA-N 0 0 314.433 3.096 20 10 DGCDRN Cc1ccc(CN(CC2CC2)C(=O)C2=CC(=O)CS2)cn1 ZINC000844148544 630710668 /nfs/dbraw/zinc/71/06/68/630710668.db2.gz WANNFNWGDUZGBR-UHFFFAOYSA-N 0 0 302.399 3.210 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)/C=C(\C)COC)cc1 ZINC000844306793 630717659 /nfs/dbraw/zinc/71/76/59/630717659.db2.gz XGWPEHBKVVYQHQ-NTCAYCPXSA-N 0 0 304.434 3.084 20 10 DGCDRN COc1ccc(N(C)CC(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000844353128 630720711 /nfs/dbraw/zinc/72/07/11/630720711.db2.gz HQRXSCLAVIEVDS-CYBMUJFWSA-N 0 0 316.376 3.148 20 10 DGCDRN CC(C)c1cc(NC(=O)NCc2cc(Cl)ccc2O)no1 ZINC000844548384 630738670 /nfs/dbraw/zinc/73/86/70/630738670.db2.gz XNPQLPRICOGTHV-UHFFFAOYSA-N 0 0 309.753 3.479 20 10 DGCDRN Oc1ccc(Cl)cc1CNC(=S)NC(C1CC1)C1CC1 ZINC000844583532 630741283 /nfs/dbraw/zinc/74/12/83/630741283.db2.gz BVLAVROPAOLUCP-UHFFFAOYSA-N 0 0 310.850 3.198 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)Nc1ccc2c(n1)CCC2 ZINC000844699271 630793748 /nfs/dbraw/zinc/79/37/48/630793748.db2.gz SYIFUICXBRYWFG-UHFFFAOYSA-N 0 0 317.776 3.251 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)c2ccc(F)cc2)cc1 ZINC000844852131 630943044 /nfs/dbraw/zinc/94/30/44/630943044.db2.gz LNYDDJVDEYUOND-UHFFFAOYSA-N 0 0 316.376 3.043 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)c2sccc2F)cc1 ZINC000844856469 630945590 /nfs/dbraw/zinc/94/55/90/630945590.db2.gz KYKUNYOCJLJATP-UHFFFAOYSA-N 0 0 322.405 3.104 20 10 DGCDRN COc1cccc(CNC(=O)[C@H](C)Cc2ccc(F)cc2)c1O ZINC000105650999 630950775 /nfs/dbraw/zinc/95/07/75/630950775.db2.gz QNSUQRHDOPBLHI-GFCCVEGCSA-N 0 0 317.360 3.035 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CNc2ccccc2C1)c1cc(F)cc(F)c1[O-] ZINC000844920865 630983168 /nfs/dbraw/zinc/98/31/68/630983168.db2.gz NQVCRIWQRDKKSU-GWCFXTLKSA-N 0 0 304.340 3.358 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cc(F)cc(F)c1[O-] ZINC000844925842 630988025 /nfs/dbraw/zinc/98/80/25/630988025.db2.gz VPXQLCADGKEAHC-VIFPVBQESA-N 0 0 310.319 3.119 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC1CC2(CCC2)C1 ZINC000844993337 631027668 /nfs/dbraw/zinc/02/76/68/631027668.db2.gz VSTKASUMBYLWPV-UHFFFAOYSA-N 0 0 301.434 3.193 20 10 DGCDRN CC[C@H](NC(=O)NCc1cc(Cl)ccc1O)c1ccncc1 ZINC000845007288 631031693 /nfs/dbraw/zinc/03/16/93/631031693.db2.gz GBDYXAPUMZJHFD-AWEZNQCLSA-N 0 0 319.792 3.391 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCCC(F)(F)C1 ZINC000845004365 631031872 /nfs/dbraw/zinc/03/18/72/631031872.db2.gz ZZMOHZREFAUVAU-UHFFFAOYSA-N 0 0 321.371 3.004 20 10 DGCDRN CCN(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCCOC1 ZINC000845126036 631087116 /nfs/dbraw/zinc/08/71/16/631087116.db2.gz UQGDRMZWYDTNTF-WMLDXEAASA-N 0 0 319.449 3.024 20 10 DGCDRN CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)[C@H](C)CO1 ZINC000845125043 631087293 /nfs/dbraw/zinc/08/72/93/631087293.db2.gz KPUGBDOOLHZRDQ-JKIFEVAISA-N 0 0 319.449 3.023 20 10 DGCDRN CSCCCCCNC(=O)NCc1cc(Cl)ccc1O ZINC000845126672 631087307 /nfs/dbraw/zinc/08/73/07/631087307.db2.gz CZNWCIMUYOXQIM-UHFFFAOYSA-N 0 0 316.854 3.378 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)C[C@@H](OC)C(F)(F)F ZINC000845791713 631196491 /nfs/dbraw/zinc/19/64/91/631196491.db2.gz QQLNDZFGECFJNK-CYBMUJFWSA-N 0 0 319.323 3.098 20 10 DGCDRN COc1ccc(N(C)Cc2c(C)nc3sc(C)nn23)cc1 ZINC000845999672 631205297 /nfs/dbraw/zinc/20/52/97/631205297.db2.gz XLBZYZTXCQFLHE-UHFFFAOYSA-N 0 0 302.403 3.053 20 10 DGCDRN C[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)C2(CCC2)CO1 ZINC000846067214 631208898 /nfs/dbraw/zinc/20/88/98/631208898.db2.gz PANXFZOVTQQRFM-MQDFFIGUSA-N 0 0 300.446 3.409 20 10 DGCDRN CC[C@@H](N[C@@H](C)c1cccc(OC)c1O)C(=O)OC(C)(C)C ZINC000846151193 631212325 /nfs/dbraw/zinc/21/23/25/631212325.db2.gz VATTXWOJJAUFBV-WCQYABFASA-N 0 0 309.406 3.172 20 10 DGCDRN COc1cccc([C@@H](C)N[C@@H](C)c2nnc(C(C)C)[nH]2)c1O ZINC000846155735 631212542 /nfs/dbraw/zinc/21/25/42/631212542.db2.gz CIDGVCYMGYGHQO-MNOVXSKESA-N 0 0 304.394 3.054 20 10 DGCDRN COc1cccc([C@H](C)N[C@H](C(=O)OC(C)C)C(C)C)c1O ZINC000846169359 631213293 /nfs/dbraw/zinc/21/32/93/631213293.db2.gz PZVFUVMQVLWECX-WFASDCNBSA-N 0 0 309.406 3.028 20 10 DGCDRN CC[C@H]([NH2+][C@@H](CO)CCF)c1cc(Cl)cc(Cl)c1[O-] ZINC000846209672 631214976 /nfs/dbraw/zinc/21/49/76/631214976.db2.gz RYPLDODPZRCIEJ-SKDRFNHKSA-N 0 0 310.196 3.460 20 10 DGCDRN CCN(C)c1ccc(C[N@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1 ZINC000846271678 631217880 /nfs/dbraw/zinc/21/78/80/631217880.db2.gz XBQOCXJGUGCAQM-LJQANCHMSA-N 0 0 324.424 3.327 20 10 DGCDRN Cc1cc(C[N@@H+]2CCCC[C@H]2CCC(=O)[O-])ccc1N(C)C ZINC000846281072 631220170 /nfs/dbraw/zinc/22/01/70/631220170.db2.gz KEAAJQBFGYPUBW-INIZCTEOSA-N 0 0 304.434 3.280 20 10 DGCDRN Nc1ccc(NC(=O)NCCC[C@@H]2CC2(Cl)Cl)cc1 ZINC000846310576 631225933 /nfs/dbraw/zinc/22/59/33/631225933.db2.gz MKAYZISUHWUIHQ-SECBINFHSA-N 0 0 302.205 3.364 20 10 DGCDRN C[C@]1(c2cccc(F)c2)CCN(C(=O)c2cccc(O)c2O)C1 ZINC000846317043 631226913 /nfs/dbraw/zinc/22/69/13/631226913.db2.gz GHPGIGMMFPWBSY-SFHVURJKSA-N 0 0 315.344 3.041 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2Cc3ccccc3C2)cc1F ZINC000106336413 631247083 /nfs/dbraw/zinc/24/70/83/631247083.db2.gz MTCUWCWGTPPADM-UHFFFAOYSA-N 0 0 313.376 3.117 20 10 DGCDRN CCCCn1cc(C(=O)NCc2cc(Cl)ccc2O)c(C)n1 ZINC000846472850 631249636 /nfs/dbraw/zinc/24/96/36/631249636.db2.gz GFNZPUCWIYDRPM-UHFFFAOYSA-N 0 0 321.808 3.281 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCCCCC(=O)C1 ZINC000846475669 631250366 /nfs/dbraw/zinc/25/03/66/631250366.db2.gz FALKFRBPKYDEKH-LLVKDONJSA-N 0 0 309.793 3.201 20 10 DGCDRN COCCC1(C(=O)NCc2cc(Cl)ccc2O)CCCC1 ZINC000846475824 631250563 /nfs/dbraw/zinc/25/05/63/631250563.db2.gz KPRYZSVNKWNZMY-UHFFFAOYSA-N 0 0 311.809 3.259 20 10 DGCDRN Cc1cc(C(=O)N2CCC[C@H](F)C2)c(C)n1-c1ccccn1 ZINC000846631343 631276766 /nfs/dbraw/zinc/27/67/66/631276766.db2.gz RZBKAPRNZXMTQG-AWEZNQCLSA-N 0 0 301.365 3.063 20 10 DGCDRN C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)CCc2ccccc21 ZINC000846662014 631281256 /nfs/dbraw/zinc/28/12/56/631281256.db2.gz PLMDHOJOEAYHLJ-LLVKDONJSA-N 0 0 315.344 3.039 20 10 DGCDRN CC[C@@H](OCCNC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000846687798 631285426 /nfs/dbraw/zinc/28/54/26/631285426.db2.gz GEQAYQDAMKNOPQ-GOSISDBHSA-N 0 0 312.413 3.095 20 10 DGCDRN C/C(=C\c1cccnc1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000846843219 631325412 /nfs/dbraw/zinc/32/54/12/631325412.db2.gz NEYIRYPWWOOAKI-RVDMUPIBSA-N 0 0 321.424 3.184 20 10 DGCDRN CCCN(C(=O)NCc1ccc2c(c1)CCCN2C)C(C)C ZINC000847303092 631456751 /nfs/dbraw/zinc/45/67/51/631456751.db2.gz POULCZUILLOHNH-UHFFFAOYSA-N 0 0 303.450 3.399 20 10 DGCDRN C/C(=C/c1cccnc1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000847339304 631462699 /nfs/dbraw/zinc/46/26/99/631462699.db2.gz SFMYFDBXNYRYTH-SSZFMOIBSA-N 0 0 321.424 3.402 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCC1(COC)CC1 ZINC000847422435 631474831 /nfs/dbraw/zinc/47/48/31/631474831.db2.gz CCUNVEHJLQORBX-UHFFFAOYSA-N 0 0 320.433 3.131 20 10 DGCDRN C/C(=C/c1cccnc1)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000847590568 631493646 /nfs/dbraw/zinc/49/36/46/631493646.db2.gz ATGOPCAYRSTJGZ-KAMYIIQDSA-N 0 0 322.408 3.386 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H](C)C2CCC(F)(F)CC2)c(O)c1O ZINC000848346480 631647465 /nfs/dbraw/zinc/64/74/65/631647465.db2.gz CUTBEVCOODKNGY-JTQLQIEISA-N 0 0 313.344 3.350 20 10 DGCDRN FC(F)(F)COc1ccc(CSc2nccs2)nn1 ZINC000848432064 631661006 /nfs/dbraw/zinc/66/10/06/631661006.db2.gz YNUQQCWSPVGWPF-UHFFFAOYSA-N 0 0 307.322 3.167 20 10 DGCDRN O=C1CN(Cc2cc3c(cc2O)CCCC3)Cc2ccccc2N1 ZINC000848497423 631670157 /nfs/dbraw/zinc/67/01/57/631670157.db2.gz NPYLGGJRZXIULH-UHFFFAOYSA-N 0 0 322.408 3.225 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)c1ccc(F)cc1[O-] ZINC000848558119 631691969 /nfs/dbraw/zinc/69/19/69/631691969.db2.gz JUODOSFDTFWGBD-BDJLRTHQSA-N 0 0 314.360 3.135 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000848570266 631697777 /nfs/dbraw/zinc/69/77/77/631697777.db2.gz JSWJMTUUYVJOOT-TZMCWYRMSA-N 0 0 320.389 3.443 20 10 DGCDRN CN(C)c1ccc(CN[C@H](C[C@H]2CCCO2)C(F)(F)F)cc1 ZINC000848572676 631698865 /nfs/dbraw/zinc/69/88/65/631698865.db2.gz VKZQPDVVNVBGDD-HUUCEWRRSA-N 0 0 316.367 3.342 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848640647 631715619 /nfs/dbraw/zinc/71/56/19/631715619.db2.gz TUVUIQIOCSDIQR-JIMOISOXSA-N 0 0 311.809 3.271 20 10 DGCDRN CCOc1ccc(O)c(C[NH2+][C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000848639700 631715728 /nfs/dbraw/zinc/71/57/28/631715728.db2.gz JMTFAEFYZYXLET-BYCMXARLSA-N 0 0 321.417 3.016 20 10 DGCDRN C[C@@H]([NH2+]Cc1c(O)cccc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848640319 631715771 /nfs/dbraw/zinc/71/57/71/631715771.db2.gz PGXVBGTWLIBBTG-ADEWGFFLSA-N 0 0 311.809 3.271 20 10 DGCDRN O=C([O-])C[N@H+](Cc1ccc(N2CCCCC2)cc1)C1CCC1 ZINC000848641148 631716630 /nfs/dbraw/zinc/71/66/30/631716630.db2.gz YZIYQAWBMYEUJG-UHFFFAOYSA-N 0 0 302.418 3.116 20 10 DGCDRN CCc1cccc(CNc2ccc(CNC(=O)OC)cc2)c1O ZINC000848891995 631774633 /nfs/dbraw/zinc/77/46/33/631774633.db2.gz HOQCPBHDUDRYMM-UHFFFAOYSA-N 0 0 314.385 3.423 20 10 DGCDRN CCc1cccc(CN[C@@H](C)c2noc(COC(C)C)n2)c1O ZINC000848913247 631784247 /nfs/dbraw/zinc/78/42/47/631784247.db2.gz SKAWDTKJJRYPLJ-LBPRGKRZSA-N 0 0 319.405 3.113 20 10 DGCDRN CCc1cccc(CN[C@@H](C)C(=O)OCc2ccccc2)c1O ZINC000848922545 631788735 /nfs/dbraw/zinc/78/87/35/631788735.db2.gz RWKJBUVCSRBJGM-AWEZNQCLSA-N 0 0 313.397 3.176 20 10 DGCDRN Cc1cc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)on1 ZINC000108296082 631843507 /nfs/dbraw/zinc/84/35/07/631843507.db2.gz VXZZYRJREWWZAK-UHFFFAOYSA-N 0 0 313.401 3.149 20 10 DGCDRN CCN(C(C)=O)c1ccc(NCc2ccc(N(C)C)cc2)cn1 ZINC000849347076 631899361 /nfs/dbraw/zinc/89/93/61/631899361.db2.gz PTGVZHNQLCVNHY-UHFFFAOYSA-N 0 0 312.417 3.133 20 10 DGCDRN CO[C@@H](COC(=O)/C=C/c1ccc(O)c(O)c1)C1CCCCC1 ZINC000849745223 631957696 /nfs/dbraw/zinc/95/76/96/631957696.db2.gz MOOIRZDUCYFZPG-VMSUTVGLSA-N 0 0 320.385 3.250 20 10 DGCDRN O=C(CSc1ncc(Cl)s1)N1CCc2ccccc2C1 ZINC000849998048 632024778 /nfs/dbraw/zinc/02/47/78/632024778.db2.gz JLJLZYULIIUJLX-UHFFFAOYSA-N 0 0 324.858 3.474 20 10 DGCDRN O=C(COC(=O)C1[C@@H]2CCCCCC[C@@H]12)c1ccc(O)c(O)c1 ZINC000850303918 632109044 /nfs/dbraw/zinc/10/90/44/632109044.db2.gz BKHVFYZDHZDTSH-CHWSQXEVSA-N 0 0 318.369 3.040 20 10 DGCDRN Cn1ncc(C2CC2)c1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000850379888 632132892 /nfs/dbraw/zinc/13/28/92/632132892.db2.gz ZRVWSHMXQYLZPZ-UHFFFAOYSA-N 0 0 309.772 3.085 20 10 DGCDRN C[C@H](O)[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)c1ccccc1 ZINC000850421571 632147854 /nfs/dbraw/zinc/14/78/54/632147854.db2.gz YTUDSRGPXOKKBV-MGPLVRAMSA-N 0 0 309.768 3.396 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1)c1cc(F)cc(F)c1[O-] ZINC000850500814 632172322 /nfs/dbraw/zinc/17/23/22/632172322.db2.gz GOUKJJDWISMHAW-GEUJYKRQSA-N 0 0 317.401 3.011 20 10 DGCDRN CSCC1(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000850507779 632174560 /nfs/dbraw/zinc/17/45/60/632174560.db2.gz QEEJLRNIPOUKKC-LLVKDONJSA-N 0 0 310.419 3.484 20 10 DGCDRN C[C@H]([NH2+][C@H]1C[C@@H](O)c2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850528182 632181482 /nfs/dbraw/zinc/18/14/82/632181482.db2.gz JDORVKOQLNOXDV-GLZQIGESSA-N 0 0 314.341 3.129 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC[C@@]2(C)CC2(F)F)c1 ZINC000850535767 632184706 /nfs/dbraw/zinc/18/47/06/632184706.db2.gz BEXUXLAUHMKTKM-BONVTDFDSA-N 0 0 313.344 3.265 20 10 DGCDRN CCSC1(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000850552998 632191238 /nfs/dbraw/zinc/19/12/38/632191238.db2.gz REKBYEQTJYGPPL-LLVKDONJSA-N 0 0 309.431 3.115 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](OC)C2CCCC2)c1 ZINC000850563605 632195520 /nfs/dbraw/zinc/19/55/20/632195520.db2.gz ZIRCBTFFHKTVNL-SJCJKPOMSA-N 0 0 321.417 3.035 20 10 DGCDRN C[C@@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1ccc(F)cc1[O-] ZINC000850566598 632196591 /nfs/dbraw/zinc/19/65/91/632196591.db2.gz OIBBPOMLHOBTAN-SNVBAGLBSA-N 0 0 303.324 3.122 20 10 DGCDRN CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000850569740 632197473 /nfs/dbraw/zinc/19/74/73/632197473.db2.gz AKTMIAGCRCSJMT-QUUYKZCZSA-N 0 0 318.186 3.122 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)c3c(Cl)cnn3C)cc12 ZINC000851091788 632307493 /nfs/dbraw/zinc/30/74/93/632307493.db2.gz GBRKIQBYRHOXGA-UHFFFAOYSA-N 0 0 317.776 3.401 20 10 DGCDRN CCc1noc(CN(Cc2ccco2)Cc2ccccc2O)n1 ZINC000109760990 632315295 /nfs/dbraw/zinc/31/52/95/632315295.db2.gz MBAHXZDKFIDORE-UHFFFAOYSA-N 0 0 313.357 3.133 20 10 DGCDRN COc1cccc([C@]2(C)CCN(C(=O)Cc3ccc(N)cc3)C2)c1 ZINC000851645346 632466116 /nfs/dbraw/zinc/46/61/16/632466116.db2.gz IQCIXVSGNILFOX-HXUWFJFHSA-N 0 0 324.424 3.010 20 10 DGCDRN C[C@@H](NC(=O)NCCc1ccc(N)cc1)C1CCC(F)CC1 ZINC000851663501 632468084 /nfs/dbraw/zinc/46/80/84/632468084.db2.gz AQWPOLUHOQHERW-LRVUVFPRSA-N 0 0 307.413 3.027 20 10 DGCDRN CCC[C@H](CC)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852024812 632541676 /nfs/dbraw/zinc/54/16/76/632541676.db2.gz NPXLPRGQGUISIH-LSDHHAIUSA-N 0 0 319.449 3.152 20 10 DGCDRN C[C@H](NC(=O)N(C)CC1=CCSC1)c1ccc(N(C)C)cc1 ZINC000852262096 632578376 /nfs/dbraw/zinc/57/83/76/632578376.db2.gz YSJNHBNJFHJSEI-ZDUSSCGKSA-N 0 0 319.474 3.128 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)c1cscn1 ZINC000852514656 632616579 /nfs/dbraw/zinc/61/65/79/632616579.db2.gz KEBYTPJYHUTDRA-LBPRGKRZSA-N 0 0 318.446 3.078 20 10 DGCDRN Cc1ccccc1CCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186374849 660378584 /nfs/dbraw/zinc/37/85/84/660378584.db2.gz APEVEUJRFRZRDZ-AWEZNQCLSA-N 0 0 313.397 3.086 20 10 DGCDRN O=C1/C(=C\c2ccc(F)nc2)SC(=S)N1c1cccnc1 ZINC000186383954 660379785 /nfs/dbraw/zinc/37/97/85/660379785.db2.gz LXPDNSNOCXFCHQ-IZZDOVSWSA-N 0 0 317.370 3.022 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@@H](c1ccccc1)N(C)C ZINC000186457389 660443549 /nfs/dbraw/zinc/44/35/49/660443549.db2.gz WESWTOPVHCWSRG-ACJLOTCBSA-N 0 0 302.393 3.312 20 10 DGCDRN O=C(COCc1ccccc1)NCc1ccc(N2CCCC2)cc1 ZINC000073955054 660577356 /nfs/dbraw/zinc/57/73/56/660577356.db2.gz WPWODSXXMLWEML-UHFFFAOYSA-N 0 0 324.424 3.120 20 10 DGCDRN O=C(Nc1ccc(-c2nccs2)cc1)c1cccc(O)c1O ZINC000186858619 660577490 /nfs/dbraw/zinc/57/74/90/660577490.db2.gz YLCTWFXGZYPODW-UHFFFAOYSA-N 0 0 312.350 3.474 20 10 DGCDRN CCC[C@H](C[NH2+]Cc1cccc(Br)c1[O-])OCC ZINC000707865651 660917314 /nfs/dbraw/zinc/91/73/14/660917314.db2.gz SKXIQPBKDMKXBS-GFCCVEGCSA-N 0 0 316.239 3.450 20 10 DGCDRN CSCC[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708158292 660918377 /nfs/dbraw/zinc/91/83/77/660918377.db2.gz QPBIHSMMYNRRPZ-UHFFFAOYSA-N 0 0 310.644 3.261 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000708419363 660920850 /nfs/dbraw/zinc/92/08/50/660920850.db2.gz BWFKVKMTARKAKU-INIZCTEOSA-N 0 0 318.367 3.035 20 10 DGCDRN CN(C)c1ccc(CN(C)Cc2ccon2)c(C(F)(F)F)c1 ZINC000792828632 660986967 /nfs/dbraw/zinc/98/69/67/660986967.db2.gz NCPDNSLWHHNKTJ-UHFFFAOYSA-N 0 0 313.323 3.391 20 10 DGCDRN COc1ccc(CNC(=O)NCCC2CCCCC2)c(O)c1 ZINC000792830823 660987311 /nfs/dbraw/zinc/98/73/11/660987311.db2.gz CGAGLXPUIVYTAR-UHFFFAOYSA-N 0 0 306.406 3.170 20 10 DGCDRN CC[C@H]1CCC[C@@H](NC(=O)NCc2ccc(OC)cc2O)C1 ZINC000792957060 660996997 /nfs/dbraw/zinc/99/69/97/660996997.db2.gz OPYKFKFGHROAOD-GXTWGEPZSA-N 0 0 306.406 3.169 20 10 DGCDRN CCC(CC)(CC)CNC(=O)NCc1ccc(OC)cc1O ZINC000792995609 660999232 /nfs/dbraw/zinc/99/92/32/660999232.db2.gz LVBYDAQFRBFHOC-UHFFFAOYSA-N 0 0 308.422 3.416 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)OCCc2cncn2C)cc1 ZINC000793252755 661018232 /nfs/dbraw/zinc/01/82/32/661018232.db2.gz PDRCMIVREILVPD-UHFFFAOYSA-N 0 0 323.396 3.227 20 10 DGCDRN CCCN(CCC)c1ccc(CNc2nc(C)n(C)n2)cc1 ZINC000793263571 661019282 /nfs/dbraw/zinc/01/92/82/661019282.db2.gz AJHHFCICFRQVDS-UHFFFAOYSA-N 0 0 301.438 3.362 20 10 DGCDRN O=C1OCCN1c1cc(NCc2ccccc2O)ccc1F ZINC000793314722 661023754 /nfs/dbraw/zinc/02/37/54/661023754.db2.gz GWJBOEZSMCALDL-UHFFFAOYSA-N 0 0 302.305 3.100 20 10 DGCDRN O=C1OCCN1c1cc(NCc2cc(F)ccc2O)ccc1F ZINC000793315182 661023759 /nfs/dbraw/zinc/02/37/59/661023759.db2.gz NMXWLOSSNKNKNV-UHFFFAOYSA-N 0 0 320.295 3.239 20 10 DGCDRN Cc1ccc(C[N@H+](CCO)Cc2cc(Cl)cc(F)c2[O-])o1 ZINC000793366423 661027443 /nfs/dbraw/zinc/02/74/43/661027443.db2.gz SJYCMMVTDMFMMO-UHFFFAOYSA-N 0 0 313.756 3.081 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCCCC[C@@H]1CCO ZINC000793610320 661049941 /nfs/dbraw/zinc/04/99/41/661049941.db2.gz TVGXHBFIHXQUCD-LLVKDONJSA-N 0 0 301.789 3.312 20 10 DGCDRN C[C@@H](NC(=O)Cc1ccc2n[nH]cc2c1)c1ccc(N(C)C)cc1 ZINC000793855974 661060690 /nfs/dbraw/zinc/06/06/90/661060690.db2.gz NLIREEIJVNHXOQ-CYBMUJFWSA-N 0 0 322.412 3.049 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2cc(Cl)ccn2)cc1 ZINC000794352932 661080298 /nfs/dbraw/zinc/08/02/98/661080298.db2.gz GLUOMCSBPVUMES-UHFFFAOYSA-N 0 0 304.781 3.123 20 10 DGCDRN COc1cc(NC(=O)c2ccc(C)c(O)c2O)c(C)cc1C ZINC000794366650 661080932 /nfs/dbraw/zinc/08/09/32/661080932.db2.gz QYMVGCGMHHXIMM-UHFFFAOYSA-N 0 0 301.342 3.284 20 10 DGCDRN COc1ccc(CNC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)c(O)c1 ZINC000794369564 661081179 /nfs/dbraw/zinc/08/11/79/661081179.db2.gz HTMCQSTXSWNQRK-GOEBONIOSA-N 0 0 303.402 3.255 20 10 DGCDRN COc1ccc(CNC(=O)Cc2cccc(C(F)F)c2)c(O)c1 ZINC000794373162 661081310 /nfs/dbraw/zinc/08/13/10/661081310.db2.gz HZGXKIJDXSKAAH-UHFFFAOYSA-N 0 0 321.323 3.197 20 10 DGCDRN COc1ccc(CNC(=O)c2[nH]c3ccc(C)cc3c2C)c(O)c1 ZINC000794373873 661081334 /nfs/dbraw/zinc/08/13/34/661081334.db2.gz NUNFGALUSBRSFA-UHFFFAOYSA-N 0 0 324.380 3.429 20 10 DGCDRN COc1ccc(CNC(=O)C23CC(c4ccccc4)(C2)C3)c(O)c1 ZINC000794381249 661081795 /nfs/dbraw/zinc/08/17/95/661081795.db2.gz JPCCVWQLOBUMDZ-UHFFFAOYSA-N 0 0 323.392 3.139 20 10 DGCDRN COc1ccc(CNC(=O)[C@@H](C)OC2CCCCCC2)c(O)c1 ZINC000794376935 661081988 /nfs/dbraw/zinc/08/19/88/661081988.db2.gz DDAGHIVRAIWXBB-CYBMUJFWSA-N 0 0 321.417 3.145 20 10 DGCDRN COc1ccc(CNC(=O)/C=C(/C)c2cccc(F)c2)c(O)c1 ZINC000794387459 661082139 /nfs/dbraw/zinc/08/21/39/661082139.db2.gz ILFFATDUFGLHFT-WQLSENKSSA-N 0 0 315.344 3.260 20 10 DGCDRN COc1ccc(CNC(=O)[C@@H](c2ccccc2)C2CC2)c(O)c1 ZINC000794386773 661082212 /nfs/dbraw/zinc/08/22/12/661082212.db2.gz ADHMSWUNFLIPKF-SFHVURJKSA-N 0 0 311.381 3.211 20 10 DGCDRN CCN(Cc1cc(OC)c(OC)cc1O)[C@H](C)C(F)(F)F ZINC000794676237 661098006 /nfs/dbraw/zinc/09/80/06/661098006.db2.gz FPXLRDIQNQMNJO-SECBINFHSA-N 0 0 307.312 3.182 20 10 DGCDRN Cc1cnn(C)c1/C=C1/SC(=S)N(c2ccccc2)C1=O ZINC000794688161 661099174 /nfs/dbraw/zinc/09/91/74/661099174.db2.gz XTLJDIQHZMMJLU-MDWZMJQESA-N 0 0 315.423 3.134 20 10 DGCDRN Cc1ccccc1-n1nccc1/C=C1\SC(=S)N(C)C1=O ZINC000794859117 661110304 /nfs/dbraw/zinc/11/03/04/661110304.db2.gz JLTDVIFGRWZFGG-LCYFTJDESA-N 0 0 315.423 3.012 20 10 DGCDRN COc1ccc(CNC(=S)N[C@@H](C)c2ccccc2)c(O)c1 ZINC000795032253 661122902 /nfs/dbraw/zinc/12/29/02/661122902.db2.gz RZZGHUOPBRBBKL-LBPRGKRZSA-N 0 0 316.426 3.126 20 10 DGCDRN CCc1[nH]ccc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000795054994 661124364 /nfs/dbraw/zinc/12/43/64/661124364.db2.gz DNUJYFBGOMBFAZ-UHFFFAOYSA-N 0 0 311.429 3.448 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)C2CCOCC2)c1 ZINC000795080813 661125426 /nfs/dbraw/zinc/12/54/26/661125426.db2.gz MCGAXUZSXDXNLI-GFCCVEGCSA-N 0 0 321.417 3.031 20 10 DGCDRN CCN1C(=O)/C(=C\C2=Cc3ccccc3OC2)SC1=S ZINC000005966826 655537298 /nfs/dbraw/zinc/53/72/98/655537298.db2.gz HJFOKYACRIHKSC-MDWZMJQESA-N 0 0 303.408 3.227 20 10 DGCDRN COc1ccc(N2CCN(c3ccncc3Cl)CC2)cc1F ZINC000175729184 655538867 /nfs/dbraw/zinc/53/88/67/655538867.db2.gz JVMXRDWDEXQBKH-UHFFFAOYSA-N 0 0 321.783 3.209 20 10 DGCDRN Cc1noc(C)c1/C=C1/SC(=S)N(c2cccnc2)C1=O ZINC000255064012 655588984 /nfs/dbraw/zinc/58/89/84/655588984.db2.gz IJXPWLVZQLFJKJ-WUXMJOGZSA-N 0 0 317.395 3.092 20 10 DGCDRN COc1ccc(N(C)Cc2ncn(-c3ccccc3)n2)cc1F ZINC000092800890 655615282 /nfs/dbraw/zinc/61/52/82/655615282.db2.gz BSNYTKZRCQBIAQ-UHFFFAOYSA-N 0 0 312.348 3.051 20 10 DGCDRN Cc1cc(C)c(O)c(CN2C[C@@H](C(F)(F)F)OC[C@@H]2C)c1 ZINC000795689835 661167868 /nfs/dbraw/zinc/16/78/68/661167868.db2.gz GOTXJUATXSPTBY-AAEUAGOBSA-N 0 0 303.324 3.161 20 10 DGCDRN CN1C(=O)/C(=C/c2ccc(Br)s2)SC1=S ZINC000255312902 655697703 /nfs/dbraw/zinc/69/77/03/655697703.db2.gz VFXBGZPCGQMEPQ-XQRVVYSFSA-N 0 0 320.258 3.342 20 10 DGCDRN CC[C@@](C)(NC(=O)N[C@@H](C)c1ccccc1O)C(F)(F)F ZINC000933507671 655716992 /nfs/dbraw/zinc/71/69/92/655716992.db2.gz YBINBEFRKOFZLK-TVQRCGJNSA-N 0 0 304.312 3.483 20 10 DGCDRN CC(=O)C(=O)COC(=O)c1csc(-c2ccc(Cl)cc2)c1 ZINC000795869724 661176881 /nfs/dbraw/zinc/17/68/81/661176881.db2.gz JFAKBYGFHYNKLX-UHFFFAOYSA-N 0 0 322.769 3.383 20 10 DGCDRN Cc1nn(C)cc1C=C1SC(Nc2ccccc2C)=NC1=O ZINC000158730754 655789808 /nfs/dbraw/zinc/78/98/08/655789808.db2.gz CXMJXTLNSAROEL-RIYZIHGNSA-N 0 0 312.398 3.119 20 10 DGCDRN O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1Cc1ccon1 ZINC000255575229 655822465 /nfs/dbraw/zinc/82/24/65/655822465.db2.gz JIRAHQAAVFSPMZ-GHXNOFRVSA-N 0 0 320.370 3.215 20 10 DGCDRN CC(C)c1cc(C(=O)NCc2ccc(N3CCCC3)cc2)[nH]n1 ZINC000052807199 655843838 /nfs/dbraw/zinc/84/38/38/655843838.db2.gz XXJBLGBLVJQJKZ-UHFFFAOYSA-N 0 0 312.417 3.063 20 10 DGCDRN O=[N+]([O-])c1ccc(-c2nnc(CSc3nccs3)o2)cc1 ZINC000052913880 655846725 /nfs/dbraw/zinc/84/67/25/655846725.db2.gz ONKCGSUSRQMZNO-UHFFFAOYSA-N 0 0 320.355 3.394 20 10 DGCDRN COc1csc(C(=O)NCCCSc2nccs2)c1 ZINC000176826224 655849302 /nfs/dbraw/zinc/84/93/02/655849302.db2.gz RXCJBETXBJJHQH-UHFFFAOYSA-N 0 0 314.457 3.125 20 10 DGCDRN CCc1nc(C)c(C(=O)NCc2ccc(N(C)C)c(F)c2)s1 ZINC000050356741 655859592 /nfs/dbraw/zinc/85/95/92/655859592.db2.gz QIUAPPCUXDQAAG-UHFFFAOYSA-N 0 0 321.421 3.149 20 10 DGCDRN O=C(/C=C/c1ccc(Cl)s1)NCCc1ccc(O)c(O)c1 ZINC000179685770 655911499 /nfs/dbraw/zinc/91/14/99/655911499.db2.gz ZKVLHKPEDNEBJX-ZZXKWVIFSA-N 0 0 323.801 3.185 20 10 DGCDRN C[C@@H]1CC[C@H](C)N1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000177262091 655918581 /nfs/dbraw/zinc/91/85/81/655918581.db2.gz QGQYUNBEZFKKMB-GASCZTMLSA-N 0 0 301.434 3.369 20 10 DGCDRN Cc1cc(C(=O)N(C)C[C@@H](C)O)c(C)n1-c1cccc(Cl)c1 ZINC000177431568 655925040 /nfs/dbraw/zinc/92/50/40/655925040.db2.gz KKZXNJWPELHZOU-GFCCVEGCSA-N 0 0 320.820 3.200 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NCC2(C)CCCC2)cc1 ZINC000066600345 655955817 /nfs/dbraw/zinc/95/58/17/655955817.db2.gz GTXFHLSORFXBAI-UHFFFAOYSA-N 0 0 303.450 3.474 20 10 DGCDRN Cc1ccc(CNC(=O)COc2ccc(N3CCCC3)cc2)cc1 ZINC000178191285 655957901 /nfs/dbraw/zinc/95/79/01/655957901.db2.gz SZJIMFQTHDYURB-UHFFFAOYSA-N 0 0 324.424 3.290 20 10 DGCDRN CCCCCCNC(=O)COc1ccc(N2CCCC2)cc1 ZINC000178196216 655959862 /nfs/dbraw/zinc/95/98/62/655959862.db2.gz BFJKNYRXVQYJHY-UHFFFAOYSA-N 0 0 304.434 3.362 20 10 DGCDRN C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(F)c2[O-])CS1 ZINC000715768168 661214439 /nfs/dbraw/zinc/21/44/39/661214439.db2.gz CACVMFSXYQUIKQ-XCBNKYQSSA-N 0 0 320.227 3.277 20 10 DGCDRN C[C@@H]1CSC[C@@H]1[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715768159 661214519 /nfs/dbraw/zinc/21/45/19/661214519.db2.gz BWRKFSWABCGALW-HQJQHLMTSA-N 0 0 320.227 3.135 20 10 DGCDRN C[C@@H]1SCC[C@H]1[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715790720 661214758 /nfs/dbraw/zinc/21/47/58/661214758.db2.gz CPEDUIZJLADCJG-WRWORJQWSA-N 0 0 320.227 3.277 20 10 DGCDRN C[C@@H]1SCC[C@@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000309783730 656054946 /nfs/dbraw/zinc/05/49/46/656054946.db2.gz NNFCAUUVYBYZOY-KWQFWETISA-N 0 0 302.237 3.138 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CCN1Cc1ccccc1 ZINC000716237819 661220295 /nfs/dbraw/zinc/22/02/95/661220295.db2.gz LTJZQMLUFYKEOS-MRXNPFEDSA-N 0 0 316.832 3.410 20 10 DGCDRN COCCC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCCCC1 ZINC000185225001 656125019 /nfs/dbraw/zinc/12/50/19/656125019.db2.gz WXRNZJYGCKBIQL-UHFFFAOYSA-N 0 0 322.405 3.377 20 10 DGCDRN C[C@H]1CCCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000185494789 656126713 /nfs/dbraw/zinc/12/67/13/656126713.db2.gz AYGDWAYEBJWHTI-INIZCTEOSA-N 0 0 313.445 3.394 20 10 DGCDRN C[C@H](Nc1cnn(Cc2ccncc2)c1)c1ccc(F)cc1O ZINC000186389401 656131583 /nfs/dbraw/zinc/13/15/83/656131583.db2.gz DNPLCUDNNAPTOJ-LBPRGKRZSA-N 0 0 312.348 3.344 20 10 DGCDRN Cc1cc(C(=O)NCc2cnn(C)c2)c(C)n1-c1cccc(C)c1 ZINC000053409368 656158484 /nfs/dbraw/zinc/15/84/84/656158484.db2.gz HLTBDKHDSZQUMA-UHFFFAOYSA-N 0 0 322.412 3.066 20 10 DGCDRN Cc1ccc(F)cc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000190917668 656164592 /nfs/dbraw/zinc/16/45/92/656164592.db2.gz LIGXZSCKQAXZAL-NSHDSACASA-N 0 0 318.348 3.298 20 10 DGCDRN C[C@@H](NC(=O)[C@@H]1C[C@H]1C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000828861377 661232951 /nfs/dbraw/zinc/23/29/51/661232951.db2.gz OUSGLZGFBMKOCS-OASPWFOLSA-N 0 0 300.324 3.128 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1ccc(C#N)c(F)c1 ZINC000192137104 656175743 /nfs/dbraw/zinc/17/57/43/656175743.db2.gz ZZRLWBUQNDONLY-UHFFFAOYSA-N 0 0 311.360 3.162 20 10 DGCDRN Cc1ccc(NC(=O)c2cccc(O)c2O)cc1OC(F)F ZINC000193070912 656184368 /nfs/dbraw/zinc/18/43/68/656184368.db2.gz MRPNNRMZJYEAJZ-UHFFFAOYSA-N 0 0 309.268 3.260 20 10 DGCDRN COc1cccc(CNC(=O)Nc2c(C)cccc2OC)c1O ZINC000195030954 656207749 /nfs/dbraw/zinc/20/77/49/656207749.db2.gz IUJCWRADZUJMTR-UHFFFAOYSA-N 0 0 316.357 3.040 20 10 DGCDRN CC(C)Oc1ncccc1NC(=O)N(C)Cc1ccccc1O ZINC000125237888 656268853 /nfs/dbraw/zinc/26/88/53/656268853.db2.gz RVCIDEUUVJALJR-UHFFFAOYSA-N 0 0 315.373 3.238 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Nc2nccs2)cc1F ZINC000066906817 656334557 /nfs/dbraw/zinc/33/45/57/656334557.db2.gz QSXMEKGZSATKNC-UHFFFAOYSA-N 0 0 322.409 3.450 20 10 DGCDRN C[C@H]1SCC[N@H+](Cc2cccc(Br)c2[O-])[C@@H]1C ZINC000093501022 656356319 /nfs/dbraw/zinc/35/63/19/656356319.db2.gz MBRMPMYUBIWGCC-NXEZZACHSA-N 0 0 316.264 3.481 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ccc(Br)cc1 ZINC000037506358 661264499 /nfs/dbraw/zinc/26/44/99/661264499.db2.gz QOANFSIATORWNJ-UHFFFAOYSA-N 0 0 320.186 3.427 20 10 DGCDRN CCCc1nc(C)c(C(=O)N(C)Cc2ccccc2O)s1 ZINC000053916280 656454309 /nfs/dbraw/zinc/45/43/09/656454309.db2.gz YJFQVMKPYIWTQD-UHFFFAOYSA-N 0 0 304.415 3.382 20 10 DGCDRN CN(c1ccc(CNC(=O)NC2CC2)cc1)C1CCCCC1 ZINC000067003933 656806043 /nfs/dbraw/zinc/80/60/43/656806043.db2.gz UJNFSTDDTHEXTK-UHFFFAOYSA-N 0 0 301.434 3.417 20 10 DGCDRN CCCNC(=O)c1cccc(NCc2cc(OC)ccc2O)c1 ZINC000236890012 656961310 /nfs/dbraw/zinc/96/13/10/656961310.db2.gz HGNIAKVMZIDAJI-UHFFFAOYSA-N 0 0 314.385 3.153 20 10 DGCDRN Cn1cccc1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000120821365 657306994 /nfs/dbraw/zinc/30/69/94/657306994.db2.gz BADSVZJRICSMEG-UHFFFAOYSA-N 0 0 310.353 3.166 20 10 DGCDRN C[C@H]1CCC[C@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000302991441 657506680 /nfs/dbraw/zinc/50/66/80/657506680.db2.gz MNQWOFWXAOPCDP-JSGCOSHPSA-N 0 0 307.413 3.270 20 10 DGCDRN COc1ccc2cc(CNC(=O)Cc3ccc(N)cc3)ccc2c1 ZINC000237276123 657542003 /nfs/dbraw/zinc/54/20/03/657542003.db2.gz FNJXOTWHWDSCJO-UHFFFAOYSA-N 0 0 320.392 3.290 20 10 DGCDRN C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000320570286 657600880 /nfs/dbraw/zinc/60/08/80/657600880.db2.gz QCPPYHQSWBHYGE-NXEZZACHSA-N 0 0 315.348 3.113 20 10 DGCDRN CC[N@@H+]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2O)[C@@H](C)C1 ZINC000320628090 657647248 /nfs/dbraw/zinc/64/72/48/657647248.db2.gz BCSMDBIJVMSHIL-LBPRGKRZSA-N 0 0 324.852 3.164 20 10 DGCDRN COC(=O)Nc1ccc(NCc2cc(OC)ccc2O)cc1 ZINC000237295234 657674035 /nfs/dbraw/zinc/67/40/35/657674035.db2.gz LGYMVRKJJHGGDF-UHFFFAOYSA-N 0 0 302.330 3.191 20 10 DGCDRN COCC(=O)Nc1ccc(N[C@@H](C)c2cc(F)ccc2O)cc1 ZINC000321655671 658275332 /nfs/dbraw/zinc/27/53/32/658275332.db2.gz KCXJRNSDOBEBBS-NSHDSACASA-N 0 0 318.348 3.289 20 10 DGCDRN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Cc1ccc(N)cc1 ZINC000237407211 658389295 /nfs/dbraw/zinc/38/92/95/658389295.db2.gz FEJGVXFSWADLGA-LLVKDONJSA-N 0 0 304.340 3.309 20 10 DGCDRN COc1cccc(CNc2cnn(Cc3ccccc3)c2)c1O ZINC000237437339 658393751 /nfs/dbraw/zinc/39/37/51/658393751.db2.gz JTOZPZLYOJSILQ-UHFFFAOYSA-N 0 0 309.369 3.258 20 10 DGCDRN Cc1cc(C)cc(OCCC(=O)N(C)Cc2ccccc2O)c1 ZINC000119986299 658725817 /nfs/dbraw/zinc/72/58/17/658725817.db2.gz VYBKOKCPQPDWSP-UHFFFAOYSA-N 0 0 313.397 3.437 20 10 DGCDRN C[C@H]([NH2+]Cc1cccc(Br)c1[O-])c1cccnc1 ZINC000042411779 658772661 /nfs/dbraw/zinc/77/26/61/658772661.db2.gz WYVUQCLNZKUDAS-JTQLQIEISA-N 0 0 307.191 3.401 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCCc1ccc(Cl)cc1 ZINC000042994830 658809768 /nfs/dbraw/zinc/80/97/68/658809768.db2.gz LEVGHDOFPDDIPK-UHFFFAOYSA-N 0 0 318.804 3.430 20 10 DGCDRN COc1ccc(Cl)c(NCc2cc3c(cc2O)OCO3)c1 ZINC000043317216 658820086 /nfs/dbraw/zinc/82/00/86/658820086.db2.gz YJZFGNOEDSFMFM-UHFFFAOYSA-N 0 0 307.733 3.395 20 10 DGCDRN COc1ccc(N2CCN(C(=O)C[C@H]3CC[C@@H](C)C3)CC2)cc1 ZINC000164248337 658922481 /nfs/dbraw/zinc/92/24/81/658922481.db2.gz OCVOKZANSQNNET-CVEARBPZSA-N 0 0 316.445 3.170 20 10 DGCDRN COc1ccc(N2CCN(C(=O)C[C@@H]3CC[C@H](C)C3)CC2)cc1 ZINC000164248646 658922730 /nfs/dbraw/zinc/92/27/30/658922730.db2.gz OCVOKZANSQNNET-JKSUJKDBSA-N 0 0 316.445 3.170 20 10 DGCDRN Cc1cc(C(=O)N[C@]2(C)CCOC2)c(C)n1-c1ccccc1C ZINC000157115245 658988195 /nfs/dbraw/zinc/98/81/95/658988195.db2.gz FZWJURQEPOQHLE-LJQANCHMSA-N 0 0 312.413 3.311 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cc(C3CC3)n[nH]2)cc1 ZINC000057118021 659002997 /nfs/dbraw/zinc/00/29/97/659002997.db2.gz HALJZZODYRPDCW-UHFFFAOYSA-N 0 0 312.417 3.063 20 10 DGCDRN CC(C)C[C@@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000157872544 659119717 /nfs/dbraw/zinc/11/97/17/659119717.db2.gz BEOKUPLYQOXXBZ-OAHLLOKOSA-N 0 0 301.434 3.297 20 10 DGCDRN C[C@H]([NH2+]C[C@H](c1ccccc1)N(C)C)c1ccc(F)cc1[O-] ZINC000170788847 659238189 /nfs/dbraw/zinc/23/81/89/659238189.db2.gz SINXJPJXXJMTQT-SUMWQHHRSA-N 0 0 302.393 3.485 20 10 DGCDRN O=C(CCCc1ccccn1)NCc1ccc(N2CCCC2)cc1 ZINC000170902091 659245137 /nfs/dbraw/zinc/24/51/37/659245137.db2.gz YMCIQSGINUGYIA-UHFFFAOYSA-N 0 0 323.440 3.321 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCc2cc3ccccc3o2)cc1 ZINC000061442021 659267237 /nfs/dbraw/zinc/26/72/37/659267237.db2.gz JSRCUNFDRLTRTR-UHFFFAOYSA-N 0 0 323.396 3.498 20 10 DGCDRN Cc1cccc2c1CCN(C(=O)NCc1ccc(N(C)C)cc1)C2 ZINC000171646381 659293681 /nfs/dbraw/zinc/29/36/81/659293681.db2.gz PYIXFNITYKMBFG-UHFFFAOYSA-N 0 0 323.440 3.329 20 10 DGCDRN CC(C)[C@@H](C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000171967323 659308624 /nfs/dbraw/zinc/30/86/24/659308624.db2.gz YGRGFTJIQUIIGM-CQSZACIVSA-N 0 0 306.475 3.148 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2cccc(C(F)F)c2)c1 ZINC000172042334 659312057 /nfs/dbraw/zinc/31/20/57/659312057.db2.gz DXGNGJSAFNDQRY-UHFFFAOYSA-N 0 0 307.296 3.268 20 10 DGCDRN CCC(CC)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000062574845 659336968 /nfs/dbraw/zinc/33/69/68/659336968.db2.gz KGBIWEZRDJEWML-AWEZNQCLSA-N 0 0 304.434 3.074 20 10 DGCDRN CN(C)c1ccc([C@@H]2Nc3cccc(Cl)c3C(=O)N2)cc1 ZINC000172863726 659358538 /nfs/dbraw/zinc/35/85/38/659358538.db2.gz OVBNHNLPWDOVOH-OAHLLOKOSA-N 0 0 301.777 3.260 20 10 DGCDRN CN(c1ccc(CNS(=O)(=O)C2CC2)cc1)C1CCCCC1 ZINC000173070548 659371794 /nfs/dbraw/zinc/37/17/94/659371794.db2.gz HJMRTGGHIOBGBD-UHFFFAOYSA-N 0 0 322.474 3.037 20 10 DGCDRN C[C@H]1CN(C)c2ccccc2N(C(=O)/C=C/c2cccnc2)C1 ZINC000173738044 659399876 /nfs/dbraw/zinc/39/98/76/659399876.db2.gz ZLIZWKQDPIMNHL-FEAKQIBJSA-N 0 0 307.397 3.214 20 10 DGCDRN COc1ccc(N(C)CCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000063617385 659400717 /nfs/dbraw/zinc/40/07/17/659400717.db2.gz INGMGTFQGRBERB-UHFFFAOYSA-N 0 0 316.357 3.291 20 10 DGCDRN CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000174372998 659429488 /nfs/dbraw/zinc/42/94/88/659429488.db2.gz OJUVKWYGHIBPDQ-INIZCTEOSA-N 0 0 318.461 3.251 20 10 DGCDRN CC[N@H+](CCOC(C)C)Cc1cc(Br)ccc1O ZINC000174426596 659431682 /nfs/dbraw/zinc/43/16/82/659431682.db2.gz ISINFINOBSGOKG-UHFFFAOYSA-N 0 0 316.239 3.402 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc2[nH]cnc2c1 ZINC000174518601 659437446 /nfs/dbraw/zinc/43/74/46/659437446.db2.gz WHHSLAFDLXLWDO-UHFFFAOYSA-N 0 0 321.380 3.077 20 10 DGCDRN Nc1ccc(CC(=O)NCc2ccc(C(F)(F)F)cc2)cc1 ZINC000238116110 659708887 /nfs/dbraw/zinc/70/88/87/659708887.db2.gz BFGIEEHPHNVRRR-UHFFFAOYSA-N 0 0 308.303 3.147 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2C[C@]23CCc2ccccc23)cc1 ZINC000175012820 659915085 /nfs/dbraw/zinc/91/50/85/659915085.db2.gz GMOQLPMIKZEAHY-FPOVZHCZSA-N 0 0 320.436 3.273 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1nc2ccccc2o1 ZINC000175029722 659915272 /nfs/dbraw/zinc/91/52/72/659915272.db2.gz OHBPOWNYPREVCR-UHFFFAOYSA-N 0 0 309.369 3.293 20 10 DGCDRN CCc1nc(CN2CCOc3cc(N(C)C)ccc32)cs1 ZINC000175031262 659915310 /nfs/dbraw/zinc/91/53/10/659915310.db2.gz VSVRQNCVAABKCY-UHFFFAOYSA-N 0 0 303.431 3.171 20 10 DGCDRN C[C@H](Sc1nccs1)C(=O)N1CCc2ccccc2C1 ZINC000064660290 659922461 /nfs/dbraw/zinc/92/24/61/659922461.db2.gz TWAORVNSKUBSSJ-NSHDSACASA-N 0 0 304.440 3.209 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000175507184 659923124 /nfs/dbraw/zinc/92/31/24/659923124.db2.gz WAMWPYAJUJXZTO-HIFRSBDPSA-N 0 0 317.335 3.433 20 10 DGCDRN C[C@H](CC(=O)NCc1ccc(N2CCSCC2)cc1)C1CC1 ZINC000068017117 659934680 /nfs/dbraw/zinc/93/46/80/659934680.db2.gz KMJMCVFYOUSPAJ-CQSZACIVSA-N 0 0 318.486 3.292 20 10 DGCDRN Nc1ccc(CC(=O)N[C@H](c2ccccc2)C(F)(F)F)cc1 ZINC000238118385 659959014 /nfs/dbraw/zinc/95/90/14/659959014.db2.gz OOPXHRMMUNYIMS-OAHLLOKOSA-N 0 0 308.303 3.231 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CCCc2ccccc21 ZINC000180628737 659965813 /nfs/dbraw/zinc/96/58/13/659965813.db2.gz ZASIVRACVUGVIF-PXUDHTSWSA-N 0 0 323.392 3.347 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(-c2cnco2)cc1 ZINC000180675737 659967382 /nfs/dbraw/zinc/96/73/82/659967382.db2.gz IIKZXHFPLIAXTI-KRXBUXKQSA-N 0 0 322.320 3.405 20 10 DGCDRN C[C@H](c1cccs1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180669751 659967939 /nfs/dbraw/zinc/96/79/39/659967939.db2.gz PEPOGYSJZVFRFP-LXSSAFMLSA-N 0 0 303.383 3.392 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)cc1O ZINC000180722910 659968635 /nfs/dbraw/zinc/96/86/35/659968635.db2.gz BJOJGQCRXXDLNU-UHFFFAOYSA-N 0 0 310.397 3.013 20 10 DGCDRN CC(C)(CNC(=O)/C=C/c1ccc(O)c(O)c1)c1cccs1 ZINC000180782232 659970930 /nfs/dbraw/zinc/97/09/30/659970930.db2.gz NEWQVHVLYCDMLD-SOFGYWHQSA-N 0 0 317.410 3.267 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cnc(-c2ccco2)s1 ZINC000170893352 659972705 /nfs/dbraw/zinc/97/27/05/659972705.db2.gz NKCQDEDQLDJKHH-UHFFFAOYSA-N 0 0 314.366 3.381 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2csc(C(C)C)n2)c1 ZINC000170900460 659976058 /nfs/dbraw/zinc/97/60/58/659976058.db2.gz APXUKWRBAJRQHK-JTQLQIEISA-N 0 0 320.414 3.472 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H]1CC=CCC1 ZINC000069109187 659976158 /nfs/dbraw/zinc/97/61/58/659976158.db2.gz DCYLFLRBKXDVQC-INIZCTEOSA-N 0 0 313.445 3.442 20 10 DGCDRN C[C@H]1Cc2ccccc2CN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181123638 659982562 /nfs/dbraw/zinc/98/25/62/659982562.db2.gz JSXWVHGZDIMWFP-XOVSCCBYSA-N 0 0 309.365 3.084 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1cccc(Cl)n1 ZINC000181124000 659982709 /nfs/dbraw/zinc/98/27/09/659982709.db2.gz VHXTVSLMJBXBRR-UHFFFAOYSA-N 0 0 303.793 3.200 20 10 DGCDRN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cccc(F)c1F ZINC000181298103 659992442 /nfs/dbraw/zinc/99/24/42/659992442.db2.gz FMOFEPYSTJUMPC-PCGIRMHASA-N 0 0 319.307 3.267 20 10 DGCDRN C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cccc(F)c1F ZINC000181298122 659992542 /nfs/dbraw/zinc/99/25/42/659992542.db2.gz FMOFEPYSTJUMPC-QEHWCHDUSA-N 0 0 319.307 3.267 20 10 DGCDRN Cc1ccc(O)c(CNc2nnc(CCc3ccccc3)o2)c1 ZINC000181766230 660018440 /nfs/dbraw/zinc/01/84/40/660018440.db2.gz PTUYRCCAULPDOK-UHFFFAOYSA-N 0 0 309.369 3.481 20 10 DGCDRN CCOc1cc(F)ccc1NC(=O)c1ccc(C)c(O)c1O ZINC000182123423 660034582 /nfs/dbraw/zinc/03/45/82/660034582.db2.gz LVHYVTQDPFAEOD-UHFFFAOYSA-N 0 0 305.305 3.196 20 10 DGCDRN CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](C)OC ZINC000182204405 660038250 /nfs/dbraw/zinc/03/82/50/660038250.db2.gz MDRVJRFIKVDVFA-JTQLQIEISA-N 0 0 302.212 3.012 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccc(F)cc2NC2CC2)c(O)c1O ZINC000182603765 660067166 /nfs/dbraw/zinc/06/71/66/660067166.db2.gz GKIPOEFVBHUCIO-UHFFFAOYSA-N 0 0 316.332 3.372 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccccc2OCC(F)F)c(O)c1O ZINC000182809976 660080270 /nfs/dbraw/zinc/08/02/70/660080270.db2.gz LQHIZWGDBXMSOG-UHFFFAOYSA-N 0 0 323.295 3.302 20 10 DGCDRN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)c1ccc(C)c(O)c1O ZINC000182824975 660082567 /nfs/dbraw/zinc/08/25/67/660082567.db2.gz LBYYUVCEAFQYKR-KBPBESRZSA-N 0 0 321.417 3.072 20 10 DGCDRN Cc1ccc(O)c(CNc2ccc3c(c2)NC(=O)CS3)c1 ZINC000071407664 660122516 /nfs/dbraw/zinc/12/25/16/660122516.db2.gz OFRYFOWPBCVQQL-UHFFFAOYSA-N 0 0 300.383 3.357 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000183599311 660125231 /nfs/dbraw/zinc/12/52/31/660125231.db2.gz FBWABWFXQYTPHX-VIFPVBQESA-N 0 0 306.293 3.188 20 10 DGCDRN COCC[N@@H+](Cc1cc(Cl)cc(OC)c1O)CC(C)C ZINC000184681053 660180774 /nfs/dbraw/zinc/18/07/74/660180774.db2.gz UMXIHMGJAXCWQR-UHFFFAOYSA-N 0 0 301.814 3.159 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)C[C@H]2CC[C@H](C3CC3)O2)cc1 ZINC000929527606 661314996 /nfs/dbraw/zinc/31/49/96/661314996.db2.gz SUUCWEOFUHRYQH-QZTJIDSGSA-N 0 0 316.445 3.059 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)C[C@@H]2CC[C@@H](C3CC3)O2)cc1 ZINC000929527607 661315054 /nfs/dbraw/zinc/31/50/54/661315054.db2.gz SUUCWEOFUHRYQH-ROUUACIJSA-N 0 0 316.445 3.059 20 10 DGCDRN CC(C)(C)c1nnc(NC(=O)N2Cc3cccc(O)c3C2)s1 ZINC000929887883 661347839 /nfs/dbraw/zinc/34/78/39/661347839.db2.gz WZQWCPPIOJKJRI-UHFFFAOYSA-N 0 0 318.402 3.089 20 10 DGCDRN CCc1ncc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000929970751 661354741 /nfs/dbraw/zinc/35/47/41/661354741.db2.gz KUUYIFGZUXJQDJ-HNNXBMFYSA-N 0 0 316.401 3.124 20 10 DGCDRN CC(C)(C)[C@H](NC(=O)N1Cc2cccc(O)c2C1)C(F)(F)F ZINC000930904362 661438042 /nfs/dbraw/zinc/43/80/42/661438042.db2.gz UEJPJPWJILHGCJ-LBPRGKRZSA-N 0 0 316.323 3.394 20 10 DGCDRN CC(C)[C@H](NC(=O)N1Cc2cccc(O)c2C1)C(F)(F)F ZINC000931040216 661447549 /nfs/dbraw/zinc/44/75/49/661447549.db2.gz WOKZPRXOBIRNML-LBPRGKRZSA-N 0 0 302.296 3.004 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@]12CCO[C@H]1CCCC2 ZINC000932943639 661611047 /nfs/dbraw/zinc/61/10/47/661611047.db2.gz ODHCDZKFNDOISY-PKOBYXMFSA-N 0 0 316.445 3.027 20 10 DGCDRN C[C@@H]1Cc2cc(NC(=O)N3Cc4cccc(O)c4C3)ccc2O1 ZINC000933132776 661619299 /nfs/dbraw/zinc/61/92/99/661619299.db2.gz KRLLWYLNCSOLGD-LLVKDONJSA-N 0 0 310.353 3.263 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCOC23CCCC3)c1[O-] ZINC000934394245 661704078 /nfs/dbraw/zinc/70/40/78/661704078.db2.gz FNCSMEOVBZNPBF-HNNXBMFYSA-N 0 0 323.820 3.440 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000934706560 661728100 /nfs/dbraw/zinc/72/81/00/661728100.db2.gz NILDVNLLACQGLD-WMZOPIPTSA-N 0 0 317.429 3.479 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000934706557 661728170 /nfs/dbraw/zinc/72/81/70/661728170.db2.gz NILDVNLLACQGLD-AEFFLSMTSA-N 0 0 317.429 3.479 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(C2CC2)nn1C ZINC000934706208 661728302 /nfs/dbraw/zinc/72/83/02/661728302.db2.gz HMLWREZMLRCRLN-UHFFFAOYSA-N 0 0 313.401 3.056 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(C(F)F)n(C)n1 ZINC000934707036 661728606 /nfs/dbraw/zinc/72/86/06/661728606.db2.gz WUYGERZWUWCXOM-UHFFFAOYSA-N 0 0 323.343 3.116 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@H]2CCCC2(F)F)c1 ZINC000934940630 661750222 /nfs/dbraw/zinc/75/02/22/661750222.db2.gz SABSUWQVQWWKDC-WDEREUQCSA-N 0 0 313.344 3.404 20 10 DGCDRN C[C@H](NC(=O)c1cnn(C2CCC2)c1)c1ccc(N(C)C)cc1 ZINC000935464406 661787862 /nfs/dbraw/zinc/78/78/62/661787862.db2.gz LXFMOYNZAYXCMK-ZDUSSCGKSA-N 0 0 312.417 3.165 20 10 DGCDRN C[C@@]1(C(=O)NCc2cc(Br)ccc2O)C=CCC1 ZINC000935959708 661821453 /nfs/dbraw/zinc/82/14/53/661821453.db2.gz QVMALFDJMMBKED-CQSZACIVSA-N 0 0 310.191 3.127 20 10 DGCDRN CCN1C(=O)/C(=C/c2ccc3c(c2)C[C@H](C)O3)SC1=S ZINC000040018625 661831287 /nfs/dbraw/zinc/83/12/87/661831287.db2.gz QJLGYRPFJIHXOR-LMRAXHDRSA-N 0 0 305.424 3.231 20 10 DGCDRN CCN(CC(C)C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000155671188 661850756 /nfs/dbraw/zinc/85/07/56/661850756.db2.gz SMARKQSFYUCNMX-UHFFFAOYSA-N 0 0 301.434 3.250 20 10 DGCDRN C[NH+](C)[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000156067387 661857529 /nfs/dbraw/zinc/85/75/29/661857529.db2.gz LOMXVAITJHESML-LBPRGKRZSA-N 0 0 303.233 3.225 20 10 DGCDRN C[C@H]1CCCCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000046984120 661871066 /nfs/dbraw/zinc/87/10/66/661871066.db2.gz IIKAUHOAHCYFKE-HNNXBMFYSA-N 0 0 301.434 3.371 20 10 DGCDRN Cc1nc(CC(=O)N(C)Cc2ccc(N(C)C)cc2)c(C)s1 ZINC000159337217 661886086 /nfs/dbraw/zinc/88/60/86/661886086.db2.gz CNKWBRYVJHEJNW-UHFFFAOYSA-N 0 0 317.458 3.027 20 10 DGCDRN Cc1cc(C)c(S(=O)(=O)N(C)Cc2ccccc2O)c(C)c1 ZINC000159637762 661892060 /nfs/dbraw/zinc/89/20/60/661892060.db2.gz SUNIYHQSYFSSDF-UHFFFAOYSA-N 0 0 319.426 3.138 20 10 DGCDRN Cc1ccccc1C[C@@H](C)NC(=O)CSc1nccs1 ZINC000048876468 661897017 /nfs/dbraw/zinc/89/70/17/661897017.db2.gz QVBAGUXONMMVRM-GFCCVEGCSA-N 0 0 306.456 3.291 20 10 DGCDRN CC[C@@H]1CO[C@H](C)CN1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000048915880 661897441 /nfs/dbraw/zinc/89/74/41/661897441.db2.gz PHOSUMITCAMHFP-QMTHXVAHSA-N 0 0 311.809 3.248 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cc(F)ccc1F ZINC000075159399 661917926 /nfs/dbraw/zinc/91/79/26/661917926.db2.gz AGUWXHTVXKKCDQ-UHFFFAOYSA-N 0 0 317.335 3.479 20 10 DGCDRN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(C)cc1C ZINC000189422502 661978085 /nfs/dbraw/zinc/97/80/85/661978085.db2.gz BKTXNOUGKUFMIN-UHFFFAOYSA-N 0 0 321.398 3.209 20 10 DGCDRN CC(=O)c1ccc(C(=O)NCCCSc2nccs2)cc1 ZINC000076612049 661989912 /nfs/dbraw/zinc/98/99/12/661989912.db2.gz ICBIHPUFBZCHSS-UHFFFAOYSA-N 0 0 320.439 3.258 20 10 DGCDRN Cc1cc(OCC(=O)N(C)Cc2ccccc2O)ccc1Cl ZINC000077258293 662018265 /nfs/dbraw/zinc/01/82/65/662018265.db2.gz ZLTDILLJZXICBT-UHFFFAOYSA-N 0 0 319.788 3.391 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C2(SC)CC2)cc1F ZINC000190333761 662028409 /nfs/dbraw/zinc/02/84/09/662028409.db2.gz PNNQHCMMGKDDAT-UHFFFAOYSA-N 0 0 310.438 3.184 20 10 DGCDRN CCc1ccc(CCNC(=O)N(C)Cc2ccccc2O)cc1 ZINC000077620837 662033906 /nfs/dbraw/zinc/03/39/06/662033906.db2.gz WFPAHELEHOUXOG-UHFFFAOYSA-N 0 0 312.413 3.339 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1c(F)cccc1F ZINC000190916680 662049362 /nfs/dbraw/zinc/04/93/62/662049362.db2.gz RLBUWGQWHMKWIN-VIFPVBQESA-N 0 0 322.311 3.129 20 10 DGCDRN C[C@H](Cc1ccccc1F)C(=O)NCc1ccc(N(C)C)cc1 ZINC000078041053 662050616 /nfs/dbraw/zinc/05/06/16/662050616.db2.gz CUXUXXRYKFZFTC-CQSZACIVSA-N 0 0 314.404 3.387 20 10 DGCDRN CCC1(CNC(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000078359834 662061350 /nfs/dbraw/zinc/06/13/50/662061350.db2.gz MUVQQLSHZVDURU-UHFFFAOYSA-N 0 0 301.434 3.276 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCCC2(C)C)c1 ZINC000078366020 662061880 /nfs/dbraw/zinc/06/18/80/662061880.db2.gz CVQWCWZLKKNJSU-XHDPSFHLSA-N 0 0 306.406 3.340 20 10 DGCDRN CC(C)Oc1ccc(N(C)CC(=O)NCc2cccs2)cc1 ZINC000191579022 662073049 /nfs/dbraw/zinc/07/30/49/662073049.db2.gz XHOOGGADCWHNJR-UHFFFAOYSA-N 0 0 318.442 3.288 20 10 DGCDRN COc1ccc(N(Cc2ccco2)Cc2ncccn2)cc1F ZINC000192109267 662087629 /nfs/dbraw/zinc/08/76/29/662087629.db2.gz MDOBOFUFTGQJSU-UHFFFAOYSA-N 0 0 313.332 3.424 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)c1csc2ccccc12 ZINC000192602709 662105837 /nfs/dbraw/zinc/10/58/37/662105837.db2.gz QYVAGQBJANBSQQ-UHFFFAOYSA-N 0 0 313.378 3.285 20 10 DGCDRN C[C@@H](C[NH2+]Cc1cccc(Cl)c1[O-])NC(=O)OC(C)(C)C ZINC000192691352 662108406 /nfs/dbraw/zinc/10/84/06/662108406.db2.gz IECGZIVAUXNDRP-JTQLQIEISA-N 0 0 314.813 3.048 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2coc(C3CCC3)n2)c1 ZINC000192790645 662111453 /nfs/dbraw/zinc/11/14/53/662111453.db2.gz WJSRKELSDUCPFP-SNVBAGLBSA-N 0 0 316.357 3.147 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)CCCOc1ccccc1F ZINC000080357037 662137768 /nfs/dbraw/zinc/13/77/68/662137768.db2.gz CNEBFFNIEPWICC-UHFFFAOYSA-N 0 0 317.360 3.349 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C)c(O)c1 ZINC000193858493 662151880 /nfs/dbraw/zinc/15/18/80/662151880.db2.gz YUXJGHZEPOWDSN-UHFFFAOYSA-N 0 0 312.413 3.429 20 10 DGCDRN CCn1ncc2ccc(NC(=O)N(C)Cc3ccccc3O)cc21 ZINC000194778053 662173399 /nfs/dbraw/zinc/17/33/99/662173399.db2.gz JVBQVEVEOHLEET-UHFFFAOYSA-N 0 0 324.384 3.426 20 10 DGCDRN COc1cccc(C)c1NC(=O)N(C)Cc1ccccc1O ZINC000195029005 662177117 /nfs/dbraw/zinc/17/71/17/662177117.db2.gz IWDXRLYERFILPH-UHFFFAOYSA-N 0 0 300.358 3.373 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cnn(CC)c1 ZINC000195119129 662178588 /nfs/dbraw/zinc/17/85/88/662178588.db2.gz YIBUQGJKDQAIIY-UHFFFAOYSA-N 0 0 302.378 3.053 20 10 DGCDRN CC[C@@H](NCc1n[nH]cc1Br)c1ccccc1O ZINC000718126279 662230008 /nfs/dbraw/zinc/23/00/08/662230008.db2.gz DJGSCLAQLAVPNE-LLVKDONJSA-N 0 0 310.195 3.119 20 10 DGCDRN COc1cccc(CNC(=O)N[C@H]2C[C@H](C)C[C@H](C)C2)c1O ZINC000246322134 662253833 /nfs/dbraw/zinc/25/38/33/662253833.db2.gz OAXSJPPVFHEHKP-IMRBUKKESA-N 0 0 306.406 3.025 20 10 DGCDRN C[N@H+](CCOCC1CC1)Cc1cccc(Br)c1[O-] ZINC000093818592 662360376 /nfs/dbraw/zinc/36/03/76/662360376.db2.gz HPIUTGWZSLNLSV-UHFFFAOYSA-N 0 0 314.223 3.013 20 10 DGCDRN C[C@H](N1CCN(Cc2cc(Cl)ccc2O)CC1)C(F)(F)F ZINC000093883012 662360797 /nfs/dbraw/zinc/36/07/97/662360797.db2.gz ZQNGFRFNVRDGRJ-JTQLQIEISA-N 0 0 322.758 3.114 20 10 DGCDRN CCc1ncc(C(=O)NCc2ccc(N(CC)CC)cc2)s1 ZINC000148117317 685090830 /nfs/dbraw/zinc/09/08/30/685090830.db2.gz ILNXXLHCRXJHLA-UHFFFAOYSA-N 0 0 317.458 3.482 20 10 DGCDRN COC[C@]1(C)CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000381392521 685157867 /nfs/dbraw/zinc/15/78/67/685157867.db2.gz SJTNWUJTXMMHGI-CQSZACIVSA-N 0 0 314.223 3.013 20 10 DGCDRN C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)Nc1ccc(N)cc1 ZINC000382758314 685164490 /nfs/dbraw/zinc/16/44/90/685164490.db2.gz SXVBOOSOTRRSNN-OAHLLOKOSA-N 0 0 324.428 3.007 20 10 DGCDRN C[C@@H]([NH2+]Cc1cccc(Br)c1[O-])[C@H]1CCCOC1 ZINC000388942507 685191554 /nfs/dbraw/zinc/19/15/54/685191554.db2.gz GOROMJCEFTXFTJ-PWSUYJOCSA-N 0 0 314.223 3.059 20 10 DGCDRN C[C@@H]1CCC[C@@H](CNC(=O)NCCc2ccc(N)cc2)[C@@H]1C ZINC001576676733 1191862115 /nfs/dbraw/zinc/86/21/15/1191862115.db2.gz DKTYKJHQEBHYGP-FMKPAKJESA-N 0 0 303.450 3.183 20 10 DGCDRN Cc1nc(C(=O)Oc2ccc(N)cc2)sc1Br ZINC001579854130 1191996654 /nfs/dbraw/zinc/99/66/54/1191996654.db2.gz UHMURPDJUDUURB-UHFFFAOYSA-N 0 0 313.176 3.015 20 10 DGCDRN Nc1ccc(CC(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)cc1 ZINC001580443294 1192027282 /nfs/dbraw/zinc/02/72/82/1192027282.db2.gz WAMPTAJLGPFSJC-GOEBONIOSA-N 0 0 300.789 3.137 20 10 DGCDRN Nc1ccc(CNC(=O)C(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC001580443491 1192027418 /nfs/dbraw/zinc/02/74/18/1192027418.db2.gz LJFPEXPPEFUFHM-UHFFFAOYSA-N 0 0 323.179 3.075 20 10 DGCDRN Nc1ccc(NC(=O)N2CCc3cc(F)cc(F)c3C2)cc1 ZINC001580449168 1192027834 /nfs/dbraw/zinc/02/78/34/1192027834.db2.gz FLGXLKAUMVWXSD-UHFFFAOYSA-N 0 0 303.312 3.137 20 10 DGCDRN C[C@@H]1Cc2cc(C(=O)NCc3cc(Cl)ccc3O)ccc2O1 ZINC001583820845 1192162056 /nfs/dbraw/zinc/16/20/56/1192162056.db2.gz OCQPEDRCNZYIRM-SNVBAGLBSA-N 0 0 317.772 3.299 20 10 DGCDRN Cc1ccc(Cl)c2c1N(C(=O)/C=C/c1cnn(C)c1)CCC2 ZINC001584450233 1192198544 /nfs/dbraw/zinc/19/85/44/1192198544.db2.gz JWIKLKWUHBJXRB-SOFGYWHQSA-N 0 0 315.804 3.375 20 10 DGCDRN CN(CC[NH2+]Cc1cc(F)cc(F)c1[O-])Cc1ccc(F)cc1 ZINC001620829064 1192270678 /nfs/dbraw/zinc/27/06/78/1192270678.db2.gz OLMVZGIJWDENDW-UHFFFAOYSA-N 0 0 324.346 3.031 20 10 DGCDRN Cc1ccc(F)c(N)c1C(=O)NCc1ccc(N(C)C)cc1C ZINC001585788579 1192281541 /nfs/dbraw/zinc/28/15/41/1192281541.db2.gz VZIDFPPTBSDHGT-UHFFFAOYSA-N 0 0 315.392 3.021 20 10 DGCDRN CC(C)C[C@@H]1CCCCCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001586491687 1192333167 /nfs/dbraw/zinc/33/31/67/1192333167.db2.gz ZXYWDZBDMTUXFB-HNNXBMFYSA-N 0 0 305.418 3.458 20 10 DGCDRN Cc1cc(CNC(=O)c2cc(C)ncn2)c(C)n1-c1ccccc1 ZINC001587886357 1192423482 /nfs/dbraw/zinc/42/34/82/1192423482.db2.gz LYPHTOATJCMVEK-UHFFFAOYSA-N 0 0 320.396 3.123 20 10 DGCDRN Clc1cnc(SCc2ccc(-c3nn[nH]n3)s2)s1 ZINC001592539428 1192616022 /nfs/dbraw/zinc/61/60/22/1192616022.db2.gz XYZLJGMOBFKEBE-UHFFFAOYSA-N 0 0 315.836 3.330 20 10 DGCDRN O=C(Cc1scnc1-c1ccccc1)NCc1ccccc1O ZINC001595792081 1192670438 /nfs/dbraw/zinc/67/04/38/1192670438.db2.gz DDJNBJXCZKMEGN-UHFFFAOYSA-N 0 0 324.405 3.375 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(C)C)c(O)c1O ZINC001596073084 1192680014 /nfs/dbraw/zinc/68/00/14/1192680014.db2.gz OHFVZBQKOIYZAV-INIZCTEOSA-N 0 0 313.397 3.403 20 10 DGCDRN Cc1cc(Cl)ncc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001596119953 1192681533 /nfs/dbraw/zinc/68/15/33/1192681533.db2.gz QAFOZXSJYWBPJS-UHFFFAOYSA-N 0 0 317.736 3.458 20 10 DGCDRN Cc1cc(CC(=O)N2CC[C@H](CF)C2)c(C)n1-c1ccccc1 ZINC001596419808 1192692444 /nfs/dbraw/zinc/69/24/44/1192692444.db2.gz STJBHHOLZYSWJM-MRXNPFEDSA-N 0 0 314.404 3.455 20 10 DGCDRN CN1Cc2c(cccc2NCc2c(O)cccc2Cl)C1=O ZINC001620968228 1192696116 /nfs/dbraw/zinc/69/61/16/1192696116.db2.gz QHQKFITURFXRMU-UHFFFAOYSA-N 0 0 302.761 3.243 20 10 DGCDRN C[C@H]1C[C@@H]1n1c(CC2CC2)nnc1N(C)Cc1ccccc1O ZINC001708002017 1176501590 /nfs/dbraw/zinc/50/15/90/1176501590.db2.gz ORWHUJXTKXXKFK-WFASDCNBSA-N 0 0 312.417 3.154 20 10 DGCDRN COc1cc(C)c(C)cc1NC(=O)NCc1c(O)cccc1F ZINC001671635631 1176765233 /nfs/dbraw/zinc/76/52/33/1176765233.db2.gz DZPUUNGYLIOHGH-UHFFFAOYSA-N 0 0 318.348 3.478 20 10 DGCDRN CCCN(CC)c1nnc(C)n1Cc1ccc(N(C)C)c(F)c1 ZINC001745591933 1176926684 /nfs/dbraw/zinc/92/66/84/1176926684.db2.gz BPAXDNCGPOLAQH-UHFFFAOYSA-N 0 0 319.428 3.076 20 10 DGCDRN Cc1cc(C[NH2+][C@H](C(=O)[O-])C2CCCCC2)ccc1N(C)C ZINC001600206409 1192809317 /nfs/dbraw/zinc/80/93/17/1192809317.db2.gz VVWIWYGLBGFMLP-KRWDZBQOSA-N 0 0 304.434 3.184 20 10 DGCDRN Cc1cc(CNC(=O)NOCC(C)C)c(C)n1-c1ccccc1 ZINC001670882125 1177458578 /nfs/dbraw/zinc/45/85/78/1177458578.db2.gz DBNRJVIWPLOMCW-UHFFFAOYSA-N 0 0 315.417 3.481 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[N@@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC001600236334 1192817110 /nfs/dbraw/zinc/81/71/10/1192817110.db2.gz DZLYWASNPWVVQO-UHFFFAOYSA-N 0 0 324.424 3.318 20 10 DGCDRN C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)c2ccccc21 ZINC001179689572 1177804427 /nfs/dbraw/zinc/80/44/27/1177804427.db2.gz SLMMFGWYYPVLML-JIAJSWDESA-N 0 0 309.365 3.476 20 10 DGCDRN C[C@H]1C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CC(C)(C)C1 ZINC001179689585 1177804483 /nfs/dbraw/zinc/80/44/83/1177804483.db2.gz SYHHRFVQDFCOJU-COWJPUMTSA-N 0 0 303.402 3.442 20 10 DGCDRN Cc1cccnc1[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 ZINC001179689283 1177804525 /nfs/dbraw/zinc/80/45/25/1177804525.db2.gz IUEHFPKYLBMMNS-NTPDMAOXSA-N 0 0 324.380 3.082 20 10 DGCDRN CO[C@@H](C)CC(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001181607933 1177813536 /nfs/dbraw/zinc/81/35/36/1177813536.db2.gz OWILBAOUTDYHIC-SJCJKPOMSA-N 0 0 305.418 3.174 20 10 DGCDRN Cc1ccc(C[NH2+][C@H](C)[C@H](Cc2ccccc2)C(=O)[O-])c(O)c1 ZINC001600419870 1192850192 /nfs/dbraw/zinc/85/01/92/1192850192.db2.gz QLTGRVVSDVALJB-PBHICJAKSA-N 0 0 313.397 3.122 20 10 DGCDRN O=C([O-])[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C1CCC1 ZINC001331995897 1178332224 /nfs/dbraw/zinc/33/22/24/1178332224.db2.gz PVAIPDYVMVZURW-KRWDZBQOSA-N 0 0 302.418 3.020 20 10 DGCDRN O=C([O-])CC1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001332414238 1178441138 /nfs/dbraw/zinc/44/11/38/1178441138.db2.gz UQQNCTQWIDRBBH-UHFFFAOYSA-N 0 0 302.418 3.021 20 10 DGCDRN Cc1ccc2c(c1)N[C@H](c1ccc(N3CCCC3)cc1)NC2=O ZINC001332843795 1178506257 /nfs/dbraw/zinc/50/62/57/1178506257.db2.gz QYRXWQOQTVRESU-SFHVURJKSA-N 0 0 307.397 3.449 20 10 DGCDRN NC(=O)CCc1ccc(NCc2c(O)cccc2Cl)cc1 ZINC001333981251 1178702529 /nfs/dbraw/zinc/70/25/29/1178702529.db2.gz JUJHVLOUIDZJOY-UHFFFAOYSA-N 0 0 304.777 3.076 20 10 DGCDRN CN(CC(=O)NCC(C)(C)C)c1ccc(-c2nccs2)cc1 ZINC001334998003 1178839860 /nfs/dbraw/zinc/83/98/60/1178839860.db2.gz YIAIAHVHHXSYNR-UHFFFAOYSA-N 0 0 317.458 3.409 20 10 DGCDRN O=C(C[C@H]1CC[C@@H](C2CC2)O1)Nc1c2nonc2ccc1Cl ZINC001335287886 1178885606 /nfs/dbraw/zinc/88/56/06/1178885606.db2.gz CVFPZSIFVLVMSO-SKDRFNHKSA-N 0 0 321.764 3.162 20 10 DGCDRN C[C@@H](NC(=O)NCc1ccc(N)cc1)C(C)(C)c1ccccc1 ZINC001335687280 1178942689 /nfs/dbraw/zinc/94/26/89/1178942689.db2.gz QERQJZWXAHUJGC-CQSZACIVSA-N 0 0 311.429 3.434 20 10 DGCDRN Cc1cc(F)ccc1[C@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC001336125625 1178996316 /nfs/dbraw/zinc/99/63/16/1178996316.db2.gz UVBRYNWJJBDBPO-ZDUSSCGKSA-N 0 0 315.392 3.319 20 10 DGCDRN C[C@@H]1CCC[C@H](OCC(=O)Nc2c3nonc3ccc2Cl)C1 ZINC001342950599 1179215070 /nfs/dbraw/zinc/21/50/70/1179215070.db2.gz HLIMKWBZXMECBR-ZJUUUORDSA-N 0 0 323.780 3.410 20 10 DGCDRN O=C([O-])C[C@H](Cc1ccccc1)[NH2+]Cc1ccc(Cl)cc1O ZINC001602113685 1192958685 /nfs/dbraw/zinc/95/86/85/1192958685.db2.gz HJZHDNSHNUJFPB-HNNXBMFYSA-N 0 0 319.788 3.221 20 10 DGCDRN COCc1nnc(-c2cc(C)n(-c3ccc(OC)cc3)c2C)o1 ZINC001345963742 1179631025 /nfs/dbraw/zinc/63/10/25/1179631025.db2.gz YKXZIWORZLMRRW-UHFFFAOYSA-N 0 0 313.357 3.299 20 10 DGCDRN C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)NCc1ccc(N)cc1 ZINC001346740235 1179741329 /nfs/dbraw/zinc/74/13/29/1179741329.db2.gz ZCGDLHZBUFKHHC-QAPCUYQASA-N 0 0 323.440 3.432 20 10 DGCDRN O=C([O-])c1ccc2c(c1)C[N@H+](Cc1ccc(Cl)cc1O)CC2 ZINC001602421401 1192978576 /nfs/dbraw/zinc/97/85/76/1192978576.db2.gz FNKBSGBXRIWELL-UHFFFAOYSA-N 0 0 317.772 3.302 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)C(C)(C)Cc1ccc(O)cc1 ZINC001346906789 1179760917 /nfs/dbraw/zinc/76/09/17/1179760917.db2.gz AVLKVCAZJMOSCR-UHFFFAOYSA-N 0 0 313.397 3.325 20 10 DGCDRN CC[C@H]1C[C@@H](CC(=O)Nc2c3nonc3ccc2Cl)CCO1 ZINC001346941739 1179763804 /nfs/dbraw/zinc/76/38/04/1179763804.db2.gz YAWVNLYWUKKEQD-UWVGGRQHSA-N 0 0 323.780 3.410 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NC[C@@H]1C[C@@H]1Cc1ccccc1 ZINC001346955088 1179764336 /nfs/dbraw/zinc/76/43/36/1179764336.db2.gz WNKXMUSOPBQNDJ-ROUUACIJSA-N 0 0 324.424 3.412 20 10 DGCDRN Cc1ccncc1/C=C\C(=O)N(C)c1cccc2c1CCCN2 ZINC001347050496 1179772344 /nfs/dbraw/zinc/77/23/44/1179772344.db2.gz PDVDSAFQTJGUJH-HJWRWDBZSA-N 0 0 307.397 3.424 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc(C(C)(C)C)cn2)cc1 ZINC001348910845 1179850846 /nfs/dbraw/zinc/85/08/46/1179850846.db2.gz OJOSAOAOUHCKBE-UHFFFAOYSA-N 0 0 311.429 3.375 20 10 DGCDRN CN1CCCc2cc(CNC(=O)CCc3cccc(O)c3)ccc21 ZINC001351101144 1180171937 /nfs/dbraw/zinc/17/19/37/1180171937.db2.gz NMSDJBMRQUGVJH-UHFFFAOYSA-N 0 0 324.424 3.024 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCCOCC1 ZINC001351164314 1180181781 /nfs/dbraw/zinc/18/17/81/1180181781.db2.gz WFFSYQBXIPYQBW-QGZVFWFLSA-N 0 0 316.445 3.062 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2Cc3ccc(Cl)cc32)cc1 ZINC001352215024 1180310000 /nfs/dbraw/zinc/31/00/00/1180310000.db2.gz IGDOMEVTLBJZEJ-QGZVFWFLSA-N 0 0 314.816 3.362 20 10 DGCDRN CC[C@@H](C)n1nccc1C(=O)NCc1ccc2cccnc2c1O ZINC001352303141 1180319344 /nfs/dbraw/zinc/31/93/44/1180319344.db2.gz BWSQQJPYIIMROF-GFCCVEGCSA-N 0 0 324.384 3.038 20 10 DGCDRN Cc1ccc(CNC(=S)N[C@@H](C)c2ccccc2O)cc1 ZINC001200320417 1180542265 /nfs/dbraw/zinc/54/22/65/1180542265.db2.gz JSVYAPCPPJPJIA-ZDUSSCGKSA-N 0 0 300.427 3.426 20 10 DGCDRN Cc1ccc2c(c1)[C@@H](NC(=O)NCc1ccc(N)cc1)[C@H](C)C2 ZINC001353441189 1180560234 /nfs/dbraw/zinc/56/02/34/1180560234.db2.gz DEQRHJIRFBIIGK-ACJLOTCBSA-N 0 0 309.413 3.310 20 10 DGCDRN Nc1ccc(CNC(=O)NCC(C2CCC2)C2CCC2)cc1 ZINC001353441880 1180560258 /nfs/dbraw/zinc/56/02/58/1180560258.db2.gz JYFPRPUHKWHHLI-UHFFFAOYSA-N 0 0 301.434 3.284 20 10 DGCDRN O=C(Cc1c[nH]c2ccccc12)NCc1cc(Cl)ccc1O ZINC001300401965 1180643668 /nfs/dbraw/zinc/64/36/68/1180643668.db2.gz VLKNJKBQFSVAQF-UHFFFAOYSA-N 0 0 314.772 3.386 20 10 DGCDRN C[C@@H]1C[C@H](C)[C@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)O1 ZINC001353912289 1180682256 /nfs/dbraw/zinc/68/22/56/1180682256.db2.gz WGKHCEKYUWOIOI-HDMKZQKVSA-N 0 0 316.445 3.059 20 10 DGCDRN S=C(NCc1ccco1)N1CCc2cc(Cl)ccc2C1 ZINC001200559583 1180719616 /nfs/dbraw/zinc/71/96/16/1180719616.db2.gz PWLUVFAOIZVBOR-UHFFFAOYSA-N 0 0 306.818 3.366 20 10 DGCDRN Fc1cc(F)cc(NC(=S)NCc2ccc(Cl)cn2)c1 ZINC001200677585 1180808325 /nfs/dbraw/zinc/80/83/25/1180808325.db2.gz UEHVZCZNGMAVSX-UHFFFAOYSA-N 0 0 313.760 3.500 20 10 DGCDRN Fc1ccc(NC(=S)NCc2cc(Cl)ccn2)cc1F ZINC001200683203 1180816165 /nfs/dbraw/zinc/81/61/65/1180816165.db2.gz XWQLPPRPZBEHFY-UHFFFAOYSA-N 0 0 313.760 3.500 20 10 DGCDRN CC(=O)c1ccc(NCc2cc(C)ccc2O)c([N+](=O)[O-])c1 ZINC001472835663 1180899607 /nfs/dbraw/zinc/89/96/07/1180899607.db2.gz GLGOWWGEOKWERB-UHFFFAOYSA-N 0 0 300.314 3.424 20 10 DGCDRN C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccncc1)c1ccc(N(C)C)cc1 ZINC001354908225 1180932058 /nfs/dbraw/zinc/93/20/58/1180932058.db2.gz AQUKXALTURXZOW-DOPJRALCSA-N 0 0 309.413 3.129 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1c(F)cncc1F)c1cc(C(=O)[O-])ccc1O ZINC001604322981 1193064935 /nfs/dbraw/zinc/06/49/35/1193064935.db2.gz STGCDZMNSBTXAE-BDAKNGLRSA-N 0 0 322.311 3.175 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(C(=O)[O-])c(F)c1)c1ccc(N(C)C)cc1 ZINC001604351284 1193068075 /nfs/dbraw/zinc/06/80/75/1193068075.db2.gz ZJMWOGOGQBZTJD-GFCCVEGCSA-N 0 0 316.376 3.441 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(C(=O)[O-])c(F)c1)c1ccc(N(C)C)cc1 ZINC001604351285 1193069031 /nfs/dbraw/zinc/06/90/31/1193069031.db2.gz ZJMWOGOGQBZTJD-LBPRGKRZSA-N 0 0 316.376 3.441 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cc(C)cc(C)n2)cc1 ZINC001355911024 1181112417 /nfs/dbraw/zinc/11/24/17/1181112417.db2.gz MFTQTDJYRCFCSU-UHFFFAOYSA-N 0 0 311.429 3.475 20 10 DGCDRN Cc1ccc(C[C@@H]2CCCN2C(=O)NCc2ccc(N)cc2)cc1 ZINC001357791078 1181427584 /nfs/dbraw/zinc/42/75/84/1181427584.db2.gz IVZJRMBDCVFEAX-IBGZPJMESA-N 0 0 323.440 3.494 20 10 DGCDRN C[C@H](NC(=O)[C@H]1CCOC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001358148552 1181460471 /nfs/dbraw/zinc/46/04/71/1181460471.db2.gz QNMMVVOPAUPCFD-ZFWWWQNUSA-N 0 0 304.434 3.135 20 10 DGCDRN Cc1cc(CC(=O)Nc2ccnnc2C)c(C)n1-c1ccccc1 ZINC001358232798 1181469064 /nfs/dbraw/zinc/46/90/64/1181469064.db2.gz VPTGSNYBRSDBRG-UHFFFAOYSA-N 0 0 320.396 3.374 20 10 DGCDRN CC[C@](C[NH2+]Cc1cc(C)ccc1O)(C(=O)[O-])c1ccccc1 ZINC001605040481 1193107577 /nfs/dbraw/zinc/10/75/77/1193107577.db2.gz OWDWUHIMFDJWKP-LJQANCHMSA-N 0 0 313.397 3.223 20 10 DGCDRN CN(C)c1ccc(/C=C/C[N@@H+]2CCO[C@](C)(C3CC3)C2)cc1 ZINC001474626062 1181595459 /nfs/dbraw/zinc/59/54/59/1181595459.db2.gz RYFCNWOIRKCHEI-PXPVJAHISA-N 0 0 300.446 3.267 20 10 DGCDRN O=C(/C=C\c1cccnc1)N1CCCc2c(F)c(F)cc(F)c21 ZINC001436678391 1181905475 /nfs/dbraw/zinc/90/54/75/1181905475.db2.gz DZMUKSQIQHHTEF-WAYWQWQTSA-N 0 0 318.298 3.492 20 10 DGCDRN Cc1ncsc1/C=C/C(=O)N1CCOc2c(F)c(F)ccc21 ZINC001436824869 1181911150 /nfs/dbraw/zinc/91/11/50/1181911150.db2.gz OFNXHICPMJHIAK-SNAWJCMRSA-N 0 0 322.336 3.169 20 10 DGCDRN Cc1ccc2c(n1)N(C(=O)/C=C/c1ccc(Cl)nc1)CCC2 ZINC001439033347 1181990361 /nfs/dbraw/zinc/99/03/61/1181990361.db2.gz JNBFMMOLEPBKBY-RMKNXTFCSA-N 0 0 313.788 3.431 20 10 DGCDRN O=C(/C=C/c1cncc(F)c1)N1CC2(CC2)Oc2ccccc21 ZINC001439955804 1182022064 /nfs/dbraw/zinc/02/20/64/1182022064.db2.gz DODHXJHOIPBLHZ-AATRIKPKSA-N 0 0 310.328 3.192 20 10 DGCDRN CCCN1Cc2cccc(NC(=O)c3cccc(O)c3O)c2C1 ZINC001443084900 1182093797 /nfs/dbraw/zinc/09/37/97/1182093797.db2.gz ADQGISOREJTEKX-UHFFFAOYSA-N 0 0 312.369 3.076 20 10 DGCDRN Cc1cc(F)cc(C(=O)NCc2ccc(N(C)C)cc2C)c1N ZINC001443819765 1182110098 /nfs/dbraw/zinc/11/00/98/1182110098.db2.gz NVJKMZDOWWISRE-UHFFFAOYSA-N 0 0 315.392 3.021 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)/C(C)=C\c2ccccn2)c1 ZINC001445971231 1182158326 /nfs/dbraw/zinc/15/83/26/1182158326.db2.gz ULDSCMFVZAYXMD-UKVQZPPCSA-N 0 0 312.369 3.077 20 10 DGCDRN CC[C@H]1Cc2ccccc2CN1C(=O)Cc1ccc(O)c(O)c1 ZINC001447375268 1182188847 /nfs/dbraw/zinc/18/88/47/1182188847.db2.gz GSUFHQCILHQKTD-INIZCTEOSA-N 0 0 311.381 3.004 20 10 DGCDRN Cc1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)nn1C(C)C ZINC001451686456 1182273974 /nfs/dbraw/zinc/27/39/74/1182273974.db2.gz ONSOLWWDWUGHKF-UHFFFAOYSA-N 0 0 314.349 3.187 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1ccc(SC2CC2)cc1 ZINC001451769998 1182274578 /nfs/dbraw/zinc/27/45/78/1182274578.db2.gz NWDLLFZVIJXTPW-UHFFFAOYSA-N 0 0 315.394 3.282 20 10 DGCDRN COc1cc(NC(=O)C2=CC(=O)CS2)cc(Cl)c1OC ZINC001452633667 1182295579 /nfs/dbraw/zinc/29/55/79/1182295579.db2.gz NKZZIPRHOPROQG-UHFFFAOYSA-N 0 0 313.762 3.377 20 10 DGCDRN Cc1ccc(C2(NC(=O)Cc3ccc(O)c(O)c3)CCC2)cc1 ZINC001452843414 1182303428 /nfs/dbraw/zinc/30/34/28/1182303428.db2.gz ICNYOAVGKAYFFC-UHFFFAOYSA-N 0 0 311.381 3.144 20 10 DGCDRN Cc1ccc(C(F)(F)C(=O)NCc2cc(C)ccc2O)cc1 ZINC001453649879 1182322022 /nfs/dbraw/zinc/32/20/22/1182322022.db2.gz MYHXMIIXMVFSRW-UHFFFAOYSA-N 0 0 305.324 3.417 20 10 DGCDRN Cc1cc(C)cc(CNC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001453948531 1182327905 /nfs/dbraw/zinc/32/79/05/1182327905.db2.gz KKHLTCFQAVLVBH-UHFFFAOYSA-N 0 0 310.357 3.396 20 10 DGCDRN Cc1cc(CCNC(=O)[C@H]2CCC=CO2)c(C)n1-c1ccccc1 ZINC001454473059 1182344078 /nfs/dbraw/zinc/34/40/78/1182344078.db2.gz LLAPHXNGXSPGTK-LJQANCHMSA-N 0 0 324.424 3.446 20 10 DGCDRN O=C(Cc1ccc(C2CCC2)cc1)NCc1c(O)cccc1O ZINC001456323427 1182409570 /nfs/dbraw/zinc/40/95/70/1182409570.db2.gz RSDHSFMSCWBZKS-UHFFFAOYSA-N 0 0 311.381 3.224 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1ccsn1 ZINC001457413033 1182462914 /nfs/dbraw/zinc/46/29/14/1182462914.db2.gz WPPCLVIKGGXQPV-UHFFFAOYSA-N 0 0 321.365 3.105 20 10 DGCDRN CC[C@H]1c2ccccc2CN1C(=O)c1c(F)ccc(O)c1O ZINC001458033391 1182491609 /nfs/dbraw/zinc/49/16/09/1182491609.db2.gz BBOKEJCARGVOSD-ZDUSSCGKSA-N 0 0 301.317 3.344 20 10 DGCDRN CCCOc1ccnc(NCc2c(O)ccc3c2CCCC3)n1 ZINC001458209315 1182506193 /nfs/dbraw/zinc/50/61/93/1182506193.db2.gz YVBBHIRVEROXGB-UHFFFAOYSA-N 0 0 313.401 3.462 20 10 DGCDRN CCN(CCC1CC1)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC001458303895 1182512987 /nfs/dbraw/zinc/51/29/87/1182512987.db2.gz HKDJZKMREKGWKQ-CLFYSBASSA-N 0 0 318.373 3.407 20 10 DGCDRN COC(=O)c1cc(OCc2cccc(F)c2F)ccc1N(C)C ZINC001459244658 1182576175 /nfs/dbraw/zinc/57/61/75/1182576175.db2.gz YHCDHLUUZIULKJ-UHFFFAOYSA-N 0 0 321.323 3.396 20 10 DGCDRN COc1cc2c(c(OC)c1)N(Cc1ccnc(OC)c1)CCC2 ZINC001460253094 1182667634 /nfs/dbraw/zinc/66/76/34/1182667634.db2.gz QZCBVLUSHAGZPF-UHFFFAOYSA-N 0 0 314.385 3.060 20 10 DGCDRN O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC001461087379 1182766704 /nfs/dbraw/zinc/76/67/04/1182766704.db2.gz CWGPOZATEXVATB-UHFFFAOYSA-N 0 0 310.712 3.383 20 10 DGCDRN Cc1cc(C(N)=O)ccc1NC/C=C/c1ccc(N(C)C)cc1 ZINC001461789565 1182854570 /nfs/dbraw/zinc/85/45/70/1182854570.db2.gz LIUMMYQAGVNTJX-SNAWJCMRSA-N 0 0 309.413 3.285 20 10 DGCDRN C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(F)cc(F)c1[O-] ZINC001621328022 1193186345 /nfs/dbraw/zinc/18/63/45/1193186345.db2.gz JDLJZEKNYBWLIE-UHFFFAOYSA-N 0 0 322.311 3.253 20 10 DGCDRN CC(C)Oc1ccc(N(C)Cc2cc3c(cn2)OCCO3)cc1 ZINC001462098812 1182907220 /nfs/dbraw/zinc/90/72/20/1182907220.db2.gz SEXKNFTUMIUBJA-UHFFFAOYSA-N 0 0 314.385 3.276 20 10 DGCDRN Cc1cc(C)cc([C@H](O)C[NH2+]Cc2cc(F)c(F)cc2[O-])c1 ZINC001462139849 1182913882 /nfs/dbraw/zinc/91/38/82/1182913882.db2.gz ZJSNBJNCKGWGGE-QGZVFWFLSA-N 0 0 307.340 3.110 20 10 DGCDRN COc1ccccc1C[C@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC001462172930 1182917875 /nfs/dbraw/zinc/91/78/75/1182917875.db2.gz ZMKQHKHLWLHHOL-NSHDSACASA-N 0 0 307.340 3.400 20 10 DGCDRN CC[C@@H]1CN(Cc2cc(C(C)C)ccc2O)C[C@@H](C)[S@@]1=O ZINC001462218846 1182924645 /nfs/dbraw/zinc/92/46/45/1182924645.db2.gz HQWBGUAQKYGPLS-FQWGINHLSA-N 0 0 309.475 3.247 20 10 DGCDRN Cc1cc(O)c(CNc2cccc3c2OCC(=O)N3)cc1Cl ZINC001462316174 1182937633 /nfs/dbraw/zinc/93/76/33/1182937633.db2.gz HPYVTBDUHSIBEY-UHFFFAOYSA-N 0 0 318.760 3.297 20 10 DGCDRN O=C1COc2cccc(NCc3ccc4ccccc4c3O)c2N1 ZINC001462534316 1182965863 /nfs/dbraw/zinc/96/58/63/1182965863.db2.gz PLXDSPOSLOZEKX-UHFFFAOYSA-N 0 0 320.348 3.488 20 10 DGCDRN CCCOc1ccc(CN[C@@]2(C)CC(C)(C)OC2=O)cc1C ZINC001462575275 1182971262 /nfs/dbraw/zinc/97/12/62/1182971262.db2.gz ZISUIPDQGPFVFZ-SFHVURJKSA-N 0 0 305.418 3.358 20 10 DGCDRN C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Cc1ccc(O)c(O)c1 ZINC001465120263 1183130813 /nfs/dbraw/zinc/13/08/13/1183130813.db2.gz ROHCAQUMTIYLEZ-CZUORRHYSA-N 0 0 311.381 3.045 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCc3ccccc3CC2)cc1 ZINC001465182121 1183135153 /nfs/dbraw/zinc/13/51/53/1183135153.db2.gz VIHJHXKMBCYSEO-UHFFFAOYSA-N 0 0 322.368 3.090 20 10 DGCDRN CCCC[C@@H](O)CCC(=O)N(CCC)Cc1ccccc1O ZINC001465846575 1183172810 /nfs/dbraw/zinc/17/28/10/1183172810.db2.gz WBHRXWHFTSRFSJ-MRXNPFEDSA-N 0 0 307.434 3.462 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc2[nH]ccc2n1 ZINC001465958697 1183179656 /nfs/dbraw/zinc/17/96/56/1183179656.db2.gz RVCRWEFKNOKSDW-UHFFFAOYSA-N 0 0 321.380 3.077 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1onc2ccccc21 ZINC001465958113 1183180169 /nfs/dbraw/zinc/18/01/69/1183180169.db2.gz GJTSEXPJWRCNHE-UHFFFAOYSA-N 0 0 322.364 3.342 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)/C(C)=C\c2cccnc2)c1 ZINC001465992804 1183182162 /nfs/dbraw/zinc/18/21/62/1183182162.db2.gz MUDFQXKTTYHIHS-SUIFULHWSA-N 0 0 312.369 3.077 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)/C=C(/C)c2ccco2)c1 ZINC001465991384 1183182233 /nfs/dbraw/zinc/18/22/33/1183182233.db2.gz CVNZEEQXJZUGBQ-MMRAYRKESA-N 0 0 301.342 3.275 20 10 DGCDRN COc1cccc(SC)c1NC(=O)NCc1ccccc1O ZINC001466881786 1183228663 /nfs/dbraw/zinc/22/86/63/1183228663.db2.gz HGFLTPYWUTUMLK-UHFFFAOYSA-N 0 0 318.398 3.444 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC[C@H]2CCCC2(C)C)cc1 ZINC001467968292 1183300858 /nfs/dbraw/zinc/30/08/58/1183300858.db2.gz KTTGIWDNZWRQGK-OAHLLOKOSA-N 0 0 303.450 3.378 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCC[C@H]2CC=CCC2)cc1F ZINC001468354668 1183327726 /nfs/dbraw/zinc/32/77/26/1183327726.db2.gz QOFVIUZRRKYJFP-AWEZNQCLSA-N 0 0 319.424 3.437 20 10 DGCDRN Cc1ccc(C(=O)NC[C@@H]2CSc3ccccc32)c(O)c1O ZINC001468353900 1183327758 /nfs/dbraw/zinc/32/77/58/1183327758.db2.gz YMOQIQGSCVEOCM-LLVKDONJSA-N 0 0 315.394 3.026 20 10 DGCDRN CCc1csc(NC(=O)c2ccc(N=NC(N)=O)cc2)n1 ZINC001468899598 1183367879 /nfs/dbraw/zinc/36/78/79/1183367879.db2.gz ZHQGDGLRPUEMON-UHFFFAOYSA-N 0 0 303.347 3.120 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CSc3ccccc32)c1 ZINC001468953587 1183372532 /nfs/dbraw/zinc/37/25/32/1183372532.db2.gz DFOHQNJEXVJCTQ-CQSZACIVSA-N 0 0 314.410 3.347 20 10 DGCDRN C[C@](Cc1ccccc1)(NC(=O)c1cccc(O)c1O)C1CC1 ZINC001469072505 1183381933 /nfs/dbraw/zinc/38/19/33/1183381933.db2.gz FQLGTJILYYQBOT-LJQANCHMSA-N 0 0 311.381 3.239 20 10 DGCDRN CC(C)C(=O)c1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001469616769 1183423641 /nfs/dbraw/zinc/42/36/41/1183423641.db2.gz ZWNLIGFUCFGOFO-UHFFFAOYSA-N 0 0 313.353 3.118 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC/C=C/CO)c1 ZINC001469971136 1183451974 /nfs/dbraw/zinc/45/19/74/1183451974.db2.gz DPPLZNJMCCYDII-ONEGZZNKSA-N 0 0 318.804 3.026 20 10 DGCDRN O=C(NC[C@@H](O)c1cccc2ccccc21)C1=CC(=O)CS1 ZINC001470004554 1183454106 /nfs/dbraw/zinc/45/41/06/1183454106.db2.gz NDDQDUZPSMKMKL-OAHLLOKOSA-N 0 0 313.378 3.070 20 10 DGCDRN COc1ccc(C(F)(F)C(=O)NCc2cc(C)ccc2O)cc1 ZINC001470255347 1183473434 /nfs/dbraw/zinc/47/34/34/1183473434.db2.gz ULXRRTNNNCKWDV-UHFFFAOYSA-N 0 0 321.323 3.117 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC/C=C/C1CC1 ZINC001470343810 1183480107 /nfs/dbraw/zinc/48/01/07/1183480107.db2.gz QZDXHWYUTGTXHA-LLYBFZRZSA-N 0 0 315.461 3.257 20 10 DGCDRN Cc1cc(C(=O)Nc2ccc[n+]([O-])c2)c(C)n1-c1cccc(C)c1 ZINC001470545755 1183496614 /nfs/dbraw/zinc/49/66/14/1183496614.db2.gz MQSGOEPGFIBSKE-UHFFFAOYSA-N 0 0 321.380 3.288 20 10 DGCDRN Cc1ccccc1[C@@H](C)NC(=O)NCc1c(O)cccc1F ZINC001470945373 1183527146 /nfs/dbraw/zinc/52/71/46/1183527146.db2.gz DMQLYOOSSOUPSS-GFCCVEGCSA-N 0 0 302.349 3.400 20 10 DGCDRN C[C@@H](C(=O)N[C@@H](C)c1ccccc1O)c1cccc([N+](=O)[O-])c1 ZINC001471194042 1183545499 /nfs/dbraw/zinc/54/54/99/1183545499.db2.gz BIYMMHPOVVPOKC-NEPJUHHUSA-N 0 0 314.341 3.281 20 10 DGCDRN C[C@H](NC(=O)CCC(=O)c1cccc(F)c1)c1ccccc1O ZINC001471194652 1183545612 /nfs/dbraw/zinc/54/56/12/1183545612.db2.gz NSSXFLQAFXSMFU-LBPRGKRZSA-N 0 0 315.344 3.372 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCc2cscc2Cl)c1 ZINC001471357636 1183558348 /nfs/dbraw/zinc/55/83/48/1183558348.db2.gz FUEFXJCKHHZGAR-UHFFFAOYSA-N 0 0 310.806 3.415 20 10 DGCDRN Cc1cn(CC(=O)N2Cc3cccc(O)c3C2)c2ccccc12 ZINC001471355814 1183558689 /nfs/dbraw/zinc/55/86/89/1183558689.db2.gz WIWKBHMAKHCLLT-UHFFFAOYSA-N 0 0 306.365 3.198 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1cc2c(s1)CCCCC2 ZINC001471660560 1183580195 /nfs/dbraw/zinc/58/01/95/1183580195.db2.gz CPUJUMMZPGRBAX-UHFFFAOYSA-N 0 0 317.410 3.358 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1cc2ccc(Cl)cc2[nH]1 ZINC001471661287 1183580723 /nfs/dbraw/zinc/58/07/23/1183580723.db2.gz LZTILQFFDLCPML-UHFFFAOYSA-N 0 0 316.744 3.163 20 10 DGCDRN Cc1c2cc[nH]c2ncc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001472020712 1183609497 /nfs/dbraw/zinc/60/94/97/1183609497.db2.gz HKIYTKANVGEEKU-UHFFFAOYSA-N 0 0 322.328 3.238 20 10 DGCDRN C[C@H](CC(=O)NCc1c(O)ccc2ccccc21)n1cccn1 ZINC001472085499 1183614336 /nfs/dbraw/zinc/61/43/36/1183614336.db2.gz UVJZWANRHILINN-CYBMUJFWSA-N 0 0 309.369 3.009 20 10 DGCDRN Cc1cnc(F)cc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001472085502 1183614546 /nfs/dbraw/zinc/61/45/46/1183614546.db2.gz UXAGGAKUTMYMHC-UHFFFAOYSA-N 0 0 310.328 3.318 20 10 DGCDRN C[C@@H](CC(=O)NCc1c(O)ccc2ccccc21)n1cccn1 ZINC001472085501 1183614712 /nfs/dbraw/zinc/61/47/12/1183614712.db2.gz UVJZWANRHILINN-ZDUSSCGKSA-N 0 0 309.369 3.009 20 10 DGCDRN Cc1cccc(C)c1CN(C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001472143991 1183620740 /nfs/dbraw/zinc/62/07/40/1183620740.db2.gz VABUHWXYWHAYTN-NTMALXAHSA-N 0 0 311.381 3.386 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H]1/C=C\c1ccccc1 ZINC001472163084 1183622347 /nfs/dbraw/zinc/62/23/47/1183622347.db2.gz LKFJGWQWWPYHSX-PXAMLJHWSA-N 0 0 323.392 3.345 20 10 DGCDRN COCc1ccc(C(=O)NCc2cccc(Cl)c2O)cc1F ZINC001472317047 1183634452 /nfs/dbraw/zinc/63/44/52/1183634452.db2.gz SSYVPYSDKVLIMN-UHFFFAOYSA-N 0 0 323.751 3.261 20 10 DGCDRN C[C@H]1Cc2cccc(C(=O)NCc3cccc(Cl)c3O)c2O1 ZINC001472316972 1183634569 /nfs/dbraw/zinc/63/45/69/1183634569.db2.gz PLVGARUDVJQUEM-JTQLQIEISA-N 0 0 317.772 3.299 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](CO)C(C)C)c(C)n1-c1cccc(C)c1 ZINC001472434338 1183643243 /nfs/dbraw/zinc/64/32/43/1183643243.db2.gz YVEWAZKMQIELPH-SFHVURJKSA-N 0 0 314.429 3.149 20 10 DGCDRN NC(=O)CCc1ccc(NCc2cc(Cl)cc(F)c2O)cc1 ZINC001474048063 1183857483 /nfs/dbraw/zinc/85/74/83/1183857483.db2.gz BACKXELOGPHINS-UHFFFAOYSA-N 0 0 322.767 3.215 20 10 DGCDRN CCOc1cc(C(=O)OC)ccc1NCc1cc(F)ccc1O ZINC001474712383 1183966618 /nfs/dbraw/zinc/96/66/18/1183966618.db2.gz SZLCKACLKKCGJL-UHFFFAOYSA-N 0 0 319.332 3.329 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2cc(F)c(F)c(F)c2)c1 ZINC001476197810 1184030365 /nfs/dbraw/zinc/03/03/65/1184030365.db2.gz OERPPMJCMKPCRU-UHFFFAOYSA-N 0 0 310.275 3.440 20 10 DGCDRN CSc1ccc(NC(=O)N[C@@H](C)c2ccccc2O)nc1 ZINC001476398808 1184038044 /nfs/dbraw/zinc/03/80/44/1184038044.db2.gz ZNODJBLSSQGEHR-JTQLQIEISA-N 0 0 303.387 3.392 20 10 DGCDRN Cc1ccccc1CNC(=O)NCc1cccc(Cl)c1O ZINC001477500715 1184093266 /nfs/dbraw/zinc/09/32/66/1184093266.db2.gz SFNIILBDXDKAKO-UHFFFAOYSA-N 0 0 304.777 3.353 20 10 DGCDRN Cc1ccccc1C(F)(F)CNC(=O)NCc1ccccc1O ZINC001479040400 1184195980 /nfs/dbraw/zinc/19/59/80/1184195980.db2.gz BEWCUQRYWORVPY-UHFFFAOYSA-N 0 0 320.339 3.292 20 10 DGCDRN C[C@H](NC(=O)NCc1ncc(Cl)s1)c1ccccc1O ZINC001479216732 1184210395 /nfs/dbraw/zinc/21/03/95/1184210395.db2.gz YKBGLOVQPQDPJN-QMMMGPOBSA-N 0 0 311.794 3.063 20 10 DGCDRN Cn1c2ccc(F)cc2c(C[NH+]2CC3(CCC3)C2)c1C(=O)[O-] ZINC001608079172 1193277305 /nfs/dbraw/zinc/27/73/05/1193277305.db2.gz KFAZDWPHFBRZCM-UHFFFAOYSA-N 0 0 302.349 3.002 20 10 DGCDRN O=C([O-])[C@@]1(F)CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC001608575686 1193294737 /nfs/dbraw/zinc/29/47/37/1193294737.db2.gz NEIBQHBRKPQLTD-GOSISDBHSA-N 0 0 315.344 3.058 20 10 DGCDRN O=C([O-])Cc1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC001608776520 1193303318 /nfs/dbraw/zinc/30/33/18/1193303318.db2.gz PFVKNPOWNCGKTN-UHFFFAOYSA-N 0 0 323.751 3.102 20 10 DGCDRN C[C@@H]([NH2+]CCc1cc(F)cc(F)c1)c1cc(C(=O)[O-])ccc1O ZINC001609779810 1193356374 /nfs/dbraw/zinc/35/63/74/1193356374.db2.gz OQTAOUVHEMJNQR-SNVBAGLBSA-N 0 0 321.323 3.262 20 10 DGCDRN COCc1cccc(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)c1 ZINC001610272421 1193380670 /nfs/dbraw/zinc/38/06/70/1193380670.db2.gz OWUNKQQZHOABPL-GFCCVEGCSA-N 0 0 315.369 3.088 20 10 DGCDRN COc1cc(F)cc(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)c1 ZINC001610296103 1193381510 /nfs/dbraw/zinc/38/15/10/1193381510.db2.gz LORMOVBEYGVFAK-JTQLQIEISA-N 0 0 319.332 3.089 20 10 DGCDRN Cc1cc(C[N@H+](CC(=O)[O-])Cc2ccccc2)ccc1N(C)C ZINC001610460192 1193390046 /nfs/dbraw/zinc/39/00/46/1193390046.db2.gz MVZHXKOOHRXZCB-UHFFFAOYSA-N 0 0 312.413 3.148 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[C@@H](CC(=O)[O-])[C@@H]1C ZINC001610466127 1193390914 /nfs/dbraw/zinc/39/09/14/1193390914.db2.gz DTNDTDHEXVTJMP-GRDNDAEWSA-N 0 0 304.434 3.040 20 10 DGCDRN Cc1cc(Cl)cc(C[NH2+][C@@H](C(=O)[O-])c2cccs2)c1O ZINC001610462635 1193390969 /nfs/dbraw/zinc/39/09/69/1193390969.db2.gz PKLDEWSPAUAAGR-GFCCVEGCSA-N 0 0 311.790 3.331 20 10 DGCDRN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ncc(C(=O)[O-])s2)c(O)c1 ZINC001610490633 1193392837 /nfs/dbraw/zinc/39/28/37/1193392837.db2.gz IVUSDTSHSROQRM-UWVGGRQHSA-N 0 0 306.387 3.267 20 10 DGCDRN Cc1ccncc1[C@H](C)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001610537070 1193396906 /nfs/dbraw/zinc/39/69/06/1193396906.db2.gz WTLFYBHOLYARPJ-NEPJUHHUSA-N 0 0 300.358 3.206 20 10 DGCDRN Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001610574811 1193399355 /nfs/dbraw/zinc/39/93/55/1193399355.db2.gz HZFBHKFJSAUEDR-NXEZZACHSA-N 0 0 318.373 3.150 20 10 DGCDRN C[C@@H](NC(=O)c1cccc(O)c1O)c1ccc2c(c1)CCCC2 ZINC001611193654 1193426355 /nfs/dbraw/zinc/42/63/55/1193426355.db2.gz BNKAVOQXKINEIE-GFCCVEGCSA-N 0 0 311.381 3.468 20 10 DGCDRN Cc1cc(F)cc(N(C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC001515327741 1186753323 /nfs/dbraw/zinc/75/33/23/1186753323.db2.gz LTNOOYQHTBUGAP-UHFFFAOYSA-N 0 0 315.392 3.002 20 10 DGCDRN CC[C@@H](C)n1nccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001518800921 1186852920 /nfs/dbraw/zinc/85/29/20/1186852920.db2.gz QGGAHVWDLYQSQX-CQSZACIVSA-N 0 0 314.433 3.192 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC001612500706 1193452888 /nfs/dbraw/zinc/45/28/88/1193452888.db2.gz OWDCPKVEHAAEFS-CYBMUJFWSA-N 0 0 314.389 3.407 20 10 DGCDRN C[C@@H]1C[C@@H](C)N(c2nnc(C3SC=CC3=O)n2CC2CC2)C1 ZINC001520582132 1186955073 /nfs/dbraw/zinc/95/50/73/1186955073.db2.gz ZXRIJUFAAKXKTH-GHMZBOCLSA-N 0 0 318.446 3.357 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1CCC[C@@H]1CSC ZINC001520738725 1186964600 /nfs/dbraw/zinc/96/46/00/1186964600.db2.gz OTKVYMWHFMNVPQ-SNVBAGLBSA-N 0 0 324.475 3.064 20 10 DGCDRN CC(C)(C)c1ccc(CC(=O)NCc2cccc(O)c2O)cc1 ZINC001521852850 1187052416 /nfs/dbraw/zinc/05/24/16/1187052416.db2.gz ZSZLRCHGKTVTEM-UHFFFAOYSA-N 0 0 313.397 3.254 20 10 DGCDRN CN(C(=O)/C=C\c1ccc(Cl)nc1)c1cccc(Cl)n1 ZINC001524841721 1187274796 /nfs/dbraw/zinc/27/47/96/1187274796.db2.gz QLBXALMBKJMQDF-VURMDHGXSA-N 0 0 308.168 3.460 20 10 DGCDRN CC[C@@H]1C[C@H]1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001525594924 1187323387 /nfs/dbraw/zinc/32/33/87/1187323387.db2.gz WYFHXTBBFRIOKE-BDJLRTHQSA-N 0 0 319.360 3.447 20 10 DGCDRN Cc1cc(COC(=O)c2ccc(-n3c(C)ccc3C)cc2)n(C)n1 ZINC001527654943 1187440969 /nfs/dbraw/zinc/44/09/69/1187440969.db2.gz DKRZOGRTDXKPFL-UHFFFAOYSA-N 0 0 323.396 3.493 20 10 DGCDRN Cc1cncc(/C=C/C(=O)N2CCOc3c(F)c(F)ccc32)c1 ZINC001529219649 1187542427 /nfs/dbraw/zinc/54/24/27/1187542427.db2.gz YDRJAVZUJHIKLE-GORDUTHDSA-N 0 0 316.307 3.107 20 10 DGCDRN Cn1cc(-c2cc(CSc3ncc(Cl)s3)on2)cn1 ZINC001614768641 1193505984 /nfs/dbraw/zinc/50/59/84/1193505984.db2.gz NFNWOYYYKYGQCQ-UHFFFAOYSA-N 0 0 312.807 3.477 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Cc2cccc3cnccc32)cc1 ZINC001531321411 1187679730 /nfs/dbraw/zinc/67/97/30/1187679730.db2.gz QEBGGXYJWSMMFC-UHFFFAOYSA-N 0 0 319.408 3.160 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2C[C@H]2CC(C)C)cc1 ZINC001531375020 1187682408 /nfs/dbraw/zinc/68/24/08/1187682408.db2.gz OXMXUWHCHJOFGA-CRAIPNDOSA-N 0 0 318.461 3.272 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2C[C@@]2(C)C(C)C)cc1 ZINC001531374424 1187682830 /nfs/dbraw/zinc/68/28/30/1187682830.db2.gz CCCWVSDRUQWYMB-HKUYNNGSSA-N 0 0 318.461 3.272 20 10 DGCDRN COC(=O)c1cnc(SCC(=O)c2ccccc2F)s1 ZINC001656580122 1196052347 /nfs/dbraw/zinc/05/23/47/1196052347.db2.gz IYCBIUWFOWNUQC-UHFFFAOYSA-N 0 0 311.359 3.044 20 10 DGCDRN CC(=O)c1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001539302392 1188185376 /nfs/dbraw/zinc/18/53/76/1188185376.db2.gz POPXXIGMLXWVGX-UHFFFAOYSA-N 0 0 310.313 3.304 20 10 DGCDRN Cc1cc(CC(=O)Nc2cncnc2C)c(C)n1-c1ccccc1 ZINC001539419933 1188190025 /nfs/dbraw/zinc/19/00/25/1188190025.db2.gz KNIUHGVPKOXIDD-UHFFFAOYSA-N 0 0 320.396 3.374 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NCc2cccc(Cl)c2)cc1 ZINC001539517655 1188192909 /nfs/dbraw/zinc/19/29/09/1188192909.db2.gz DEJMUXMQNDTQTH-UHFFFAOYSA-N 0 0 316.748 3.432 20 10 DGCDRN CCN(C(=O)/C=C\c1cn(C)cn1)c1ccc(Cl)cc1F ZINC001539878838 1188207427 /nfs/dbraw/zinc/20/74/27/1188207427.db2.gz FGVAGOSMDOOCGY-ALCCZGGFSA-N 0 0 307.756 3.279 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 ZINC001540408248 1188237635 /nfs/dbraw/zinc/23/76/35/1188237635.db2.gz BMBIRZDGASXEAO-UHFFFAOYSA-N 0 0 308.341 3.442 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)Nc1cccc(-n2cccc2)c1 ZINC001540754049 1188259465 /nfs/dbraw/zinc/25/94/65/1188259465.db2.gz DPSLSJMNCNFOGX-UHFFFAOYSA-N 0 0 308.337 3.070 20 10 DGCDRN CC[C@](C)(O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC001542412232 1188284673 /nfs/dbraw/zinc/28/46/73/1188284673.db2.gz SJBUWELQDFRMMU-IBGZPJMESA-N 0 0 318.461 3.233 20 10 DGCDRN COC(=O)Nc1cc(NC(=O)C2=CC(=O)CS2)ccc1F ZINC001542789691 1188304624 /nfs/dbraw/zinc/30/46/24/1188304624.db2.gz AYRIVZFDSDDVKA-UHFFFAOYSA-N 0 0 310.306 3.023 20 10 DGCDRN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2C)c(N)cc1F ZINC001543310284 1188327345 /nfs/dbraw/zinc/32/73/45/1188327345.db2.gz UAGZRFPYJHKNDK-UHFFFAOYSA-N 0 0 315.392 3.021 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)/C=C\c1ccc(C=O)cc1 ZINC001543309400 1188327529 /nfs/dbraw/zinc/32/75/29/1188327529.db2.gz CXSMKDOGVNBBEF-FLIBITNWSA-N 0 0 322.408 3.203 20 10 DGCDRN Cc1cc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)on1 ZINC001544081462 1188376793 /nfs/dbraw/zinc/37/67/93/1188376793.db2.gz WNDKHKDKJYXSPM-UHFFFAOYSA-N 0 0 309.369 3.321 20 10 DGCDRN CSc1ccc(O)c(C(=O)N(C)Cc2ccccc2O)c1 ZINC001545502829 1188431838 /nfs/dbraw/zinc/43/18/38/1188431838.db2.gz BVINKAXIKQAXEN-UHFFFAOYSA-N 0 0 303.383 3.092 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cccc(F)c1N ZINC001545505018 1188432476 /nfs/dbraw/zinc/43/24/76/1188432476.db2.gz QIRFOCYVMWFKKR-UHFFFAOYSA-N 0 0 302.349 3.166 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H](O)C1CCCCC1 ZINC001657064543 1196098981 /nfs/dbraw/zinc/09/89/81/1196098981.db2.gz PGROVHZAWJHZGU-CQSZACIVSA-N 0 0 301.789 3.216 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(C)c1F ZINC001556515484 1189005589 /nfs/dbraw/zinc/00/55/89/1189005589.db2.gz AEGQMYNCQNVMCI-UHFFFAOYSA-N 0 0 308.349 3.255 20 10 DGCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC=C(Cl)C1 ZINC001557314841 1189056741 /nfs/dbraw/zinc/05/67/41/1189056741.db2.gz XYVQBMSSFLNJJA-UHFFFAOYSA-N 0 0 309.774 3.281 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H]1CO[C@@H](C)C1 ZINC001557342041 1189057983 /nfs/dbraw/zinc/05/79/83/1189057983.db2.gz XQTJVBOUVVMCJG-JKSUJKDBSA-N 0 0 312.413 3.310 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](CO)CC(C)C)cc1 ZINC001557388484 1189060833 /nfs/dbraw/zinc/06/08/33/1189060833.db2.gz ZACLJHJHZIKRQZ-QGZVFWFLSA-N 0 0 314.429 3.231 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1ccc2cc[nH]c2c1 ZINC001557386419 1189061280 /nfs/dbraw/zinc/06/12/80/1189061280.db2.gz UCYQHDSJGQTJBB-UHFFFAOYSA-N 0 0 300.745 3.457 20 10 DGCDRN C[C@@H](NC(=O)c1coc(Br)c1)c1ccccc1O ZINC001557967200 1189095060 /nfs/dbraw/zinc/09/50/60/1189095060.db2.gz WZIKIQNQCMGZOV-MRVPVSSYSA-N 0 0 310.147 3.239 20 10 DGCDRN CC[C@H](C[C@H](C)O)NC(=O)c1sccc1-n1c(C)ccc1C ZINC001558010375 1189098698 /nfs/dbraw/zinc/09/86/98/1189098698.db2.gz YQAHHCWWKSGNDG-UONOGXRCSA-N 0 0 320.458 3.435 20 10 DGCDRN O=C(c1cc(F)cc2cccnc21)N1Cc2cccc(O)c2C1 ZINC001558036234 1189101008 /nfs/dbraw/zinc/10/10/08/1189101008.db2.gz XPAGLKSPTYMSPT-UHFFFAOYSA-N 0 0 308.312 3.236 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1c[nH]c2cccc(F)c12 ZINC001558454747 1189126055 /nfs/dbraw/zinc/12/60/55/1189126055.db2.gz LODPJBKSJMMSDL-UHFFFAOYSA-N 0 0 302.280 3.082 20 10 DGCDRN O=C(CCc1cncs1)NCc1c(O)ccc2ccccc21 ZINC001558554257 1189133074 /nfs/dbraw/zinc/13/30/74/1189133074.db2.gz NPMNDPBLSUURKS-UHFFFAOYSA-N 0 0 312.394 3.251 20 10 DGCDRN CCc1ccnc(C(=O)NCc2c(O)ccc3ccccc32)c1 ZINC001558554579 1189133261 /nfs/dbraw/zinc/13/32/61/1189133261.db2.gz SKYMOHISJRYASC-UHFFFAOYSA-N 0 0 306.365 3.433 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cncc(C(F)(F)F)c1 ZINC001558821737 1189150806 /nfs/dbraw/zinc/15/08/06/1189150806.db2.gz JEIYMLNAXQNHQY-DUXPYHPUSA-N 0 0 324.258 3.164 20 10 DGCDRN O=C(NCc1ccc2sccc2c1)c1c(F)ccc(O)c1O ZINC001558993077 1189160806 /nfs/dbraw/zinc/16/08/06/1189160806.db2.gz NXDKYJBMCZRWPJ-UHFFFAOYSA-N 0 0 317.341 3.382 20 10 DGCDRN CCN(C[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1ccc(OC)c(OC)c1 ZINC001559642225 1189225749 /nfs/dbraw/zinc/22/57/49/1189225749.db2.gz HEJDMZCBMXUCDL-BPUTZDHNSA-N 0 0 305.418 3.488 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2CCc1ccc2c(c1)CCO2 ZINC001559714424 1189233772 /nfs/dbraw/zinc/23/37/72/1189233772.db2.gz WDBYXNDAKZJJTN-UHFFFAOYSA-N 0 0 324.424 3.129 20 10 DGCDRN COc1cc2c(c(OC)c1)N(Cc1cc(C)ns1)CCC2 ZINC001559911681 1189255519 /nfs/dbraw/zinc/25/55/19/1189255519.db2.gz KRPXAHMLNFQVPB-UHFFFAOYSA-N 0 0 304.415 3.422 20 10 DGCDRN CCOc1ccc(N(CCCN2CCOC2=O)CC2CC2)cc1 ZINC001560069914 1189275274 /nfs/dbraw/zinc/27/52/74/1189275274.db2.gz HTWKGMMAIWFWFU-UHFFFAOYSA-N 0 0 318.417 3.144 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCO[C@@H](C(C)(C)C)CC2)c1O ZINC001560235384 1189295390 /nfs/dbraw/zinc/29/53/90/1189295390.db2.gz JBQMJPSGLPJIAY-MRXNPFEDSA-N 0 0 323.408 3.371 20 10 DGCDRN C[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])N1CCCCC1 ZINC001560284264 1189305632 /nfs/dbraw/zinc/30/56/32/1189305632.db2.gz KUBPYGFJPNQOBM-LLVKDONJSA-N 0 0 300.805 3.149 20 10 DGCDRN CCn1cnc(Cl)c1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC001560519884 1189335967 /nfs/dbraw/zinc/33/59/67/1189335967.db2.gz WRELCUCMBPGGSJ-SNVBAGLBSA-N 0 0 309.797 3.121 20 10 DGCDRN [O-]c1c(C[NH2+][C@H]2COc3cc(F)cc(F)c32)ccc(F)c1F ZINC001560750844 1189373769 /nfs/dbraw/zinc/37/37/69/1189373769.db2.gz CKOPLSCWNYHLGO-NSHDSACASA-N 0 0 313.250 3.172 20 10 DGCDRN COc1cc(C)cc(CNc2cn(C)nc2-c2ccccn2)c1O ZINC001560750925 1189374559 /nfs/dbraw/zinc/37/45/59/1189374559.db2.gz GOAIAURTLUJQKQ-UHFFFAOYSA-N 0 0 324.384 3.117 20 10 DGCDRN Oc1ccc2c(c1)OCCN(Cc1ccc(Cl)cc1O)C2 ZINC001560826568 1189389027 /nfs/dbraw/zinc/38/90/27/1189389027.db2.gz QTZLKOOGOQSNLV-UHFFFAOYSA-N 0 0 305.761 3.146 20 10 DGCDRN COCn1ncc(C)c1CN1CCCCc2cc(OC)ccc21 ZINC001560866027 1189395552 /nfs/dbraw/zinc/39/55/52/1189395552.db2.gz TVSWAZULXJUQGB-UHFFFAOYSA-N 0 0 315.417 3.147 20 10 DGCDRN CC(C)[C@@H]([NH2+]Cc1cc(F)c(F)cc1[O-])C1(CO)CCCC1 ZINC001560874247 1189397476 /nfs/dbraw/zinc/39/74/76/1189397476.db2.gz REAVQDAMCZODKP-MRXNPFEDSA-N 0 0 313.388 3.337 20 10 DGCDRN CC(C)c1ccc(O)c(CN2CC(O)(c3ccc(F)cc3)C2)c1 ZINC001560995237 1189417243 /nfs/dbraw/zinc/41/72/43/1189417243.db2.gz FCGGDYLSAWLCHL-UHFFFAOYSA-N 0 0 315.388 3.358 20 10 DGCDRN C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1c([O-])cccc1F ZINC001561015924 1189420463 /nfs/dbraw/zinc/42/04/63/1189420463.db2.gz KLWGIQCJMYMIQS-LBPRGKRZSA-N 0 0 317.360 3.371 20 10 DGCDRN CCOC(=O)[C@]12CCC[C@H]1C[C@H]([NH2+]Cc1c([O-])cccc1F)C2 ZINC001561016008 1189420584 /nfs/dbraw/zinc/42/05/84/1189420584.db2.gz MKEBYOSQOANZGM-LXIYXOSZSA-N 0 0 321.392 3.133 20 10 DGCDRN [O-]c1cc(Cl)ccc1C[NH2+]CCc1cccc2c1OCCO2 ZINC001561020045 1189421562 /nfs/dbraw/zinc/42/15/62/1189421562.db2.gz VGVXLCZVKMNBSN-UHFFFAOYSA-N 0 0 319.788 3.149 20 10 DGCDRN O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])c(F)c1 ZINC001561044159 1189425518 /nfs/dbraw/zinc/42/55/18/1189425518.db2.gz UHWIRMSCGBNAOO-UHFFFAOYSA-N 0 0 310.712 3.383 20 10 DGCDRN CN1CCCc2cc(CNC(=O)NCCCCC3CC3)ccc21 ZINC001563792422 1189534164 /nfs/dbraw/zinc/53/41/64/1189534164.db2.gz PPXVIFFGRFDNHI-UHFFFAOYSA-N 0 0 315.461 3.449 20 10 DGCDRN CC[C@@H]1CCCC[C@H]1CNC(=O)NCc1ccc(OC)cc1O ZINC001564846714 1189600537 /nfs/dbraw/zinc/60/05/37/1189600537.db2.gz BHHXFNTXHQRCNL-KGLIPLIRSA-N 0 0 320.433 3.416 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC001565461027 1189647677 /nfs/dbraw/zinc/64/76/77/1189647677.db2.gz XSNINCFUWXJTHE-BPQIPLTHSA-N 0 0 315.461 3.473 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1c(N)ccc(F)c1C ZINC001565701654 1189664802 /nfs/dbraw/zinc/66/48/02/1189664802.db2.gz JKLAAUQGHNSYPE-UHFFFAOYSA-N 0 0 315.392 3.021 20 10 DGCDRN COc1cccc(CNC(=O)C/C=C/Cc2ccccc2)c1O ZINC001566374208 1189765926 /nfs/dbraw/zinc/76/59/26/1189765926.db2.gz YRSASUUSDMTEPL-AATRIKPKSA-N 0 0 311.381 3.206 20 10 DGCDRN C/C(=C/c1ccccc1)CN(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001567596679 1190224156 /nfs/dbraw/zinc/22/41/56/1190224156.db2.gz OBUJLGBEOGAUIQ-UVTDQMKNSA-N 0 0 311.381 3.202 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H]1CC[C@@H](C)O1 ZINC001570152586 1190803721 /nfs/dbraw/zinc/80/37/21/1190803721.db2.gz RBHUWRSJFXKJBO-KGLIPLIRSA-N 0 0 318.442 3.453 20 10 DGCDRN O=C(CCOc1ccccc1)NCc1ccc2cccnc2c1O ZINC001570531962 1190877597 /nfs/dbraw/zinc/87/75/97/1190877597.db2.gz UZBMXSMZIUXBME-UHFFFAOYSA-N 0 0 322.364 3.026 20 10 DGCDRN Nc1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1 ZINC000020425651 1191431106 /nfs/dbraw/zinc/43/11/06/1191431106.db2.gz OIXWPTJUNCGHMN-UHFFFAOYSA-N 0 0 301.821 3.244 20 10 DGCDRN CN(Cc1ccco1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001618031966 1193722299 /nfs/dbraw/zinc/72/22/99/1193722299.db2.gz AHHKCEAOJGRFHG-UHFFFAOYSA-N 0 0 303.339 3.178 20 10 DGCDRN CC(C)N(CC(=O)OC(C)(C)C)Cc1cc(F)c(F)cc1O ZINC001621148585 1193808545 /nfs/dbraw/zinc/80/85/45/1193808545.db2.gz NNHJSSMGPNCQMU-UHFFFAOYSA-N 0 0 315.360 3.223 20 10 DGCDRN Cn1cc([C@@H]2CSCCN2Cc2ccc(Cl)cc2O)cn1 ZINC001621307878 1193828311 /nfs/dbraw/zinc/82/83/11/1193828311.db2.gz WSDXSNHYIDOIKY-AWEZNQCLSA-N 0 0 323.849 3.069 20 10 DGCDRN CC(C)OC(=O)C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])C(C)C ZINC001621413547 1193839176 /nfs/dbraw/zinc/83/91/76/1193839176.db2.gz OXUUTBJWBSUOKD-ZDUSSCGKSA-N 0 0 315.360 3.126 20 10 DGCDRN CC1(C)CCN(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001621560325 1193858450 /nfs/dbraw/zinc/85/84/50/1193858450.db2.gz KIRUAUJHNHBAOT-UHFFFAOYSA-N 0 0 300.805 3.006 20 10 DGCDRN C/C(=C/C(=O)NCCc1ccc(O)c(O)c1)c1ccccc1C ZINC001622753331 1193911128 /nfs/dbraw/zinc/91/11/28/1193911128.db2.gz RCJHDFRZIRGNPG-KAMYIIQDSA-N 0 0 311.381 3.168 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)Nc1cccc([N+](=O)[O-])c1 ZINC001622845194 1193913503 /nfs/dbraw/zinc/91/35/03/1193913503.db2.gz AKJZJULRIYNXKM-UHFFFAOYSA-N 0 0 321.720 3.276 20 10 DGCDRN C/C(=C\C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)c1cccs1 ZINC001624954857 1194023896 /nfs/dbraw/zinc/02/38/96/1194023896.db2.gz LVYHKODHZJVTDA-JATZPVMKSA-N 0 0 317.410 3.310 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccnc(Cl)c2C)c1 ZINC001625380142 1194048725 /nfs/dbraw/zinc/04/87/25/1194048725.db2.gz GDOIGUZFVYEDQF-UHFFFAOYSA-N 0 0 305.765 3.379 20 10 DGCDRN COCOc1ccc(NC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC001625748946 1194066889 /nfs/dbraw/zinc/06/68/89/1194066889.db2.gz RGGKYSDSFYLMNA-LBPRGKRZSA-N 0 0 316.357 3.258 20 10 DGCDRN Cc1cccc(OC(F)F)c1NC(=O)Cc1ccc(O)c(O)c1 ZINC001626628044 1194085317 /nfs/dbraw/zinc/08/53/17/1194085317.db2.gz UJGIUXMZTXAZHD-UHFFFAOYSA-N 0 0 323.295 3.189 20 10 DGCDRN COc1ccc(C(=O)NCc2ccc(O)cc2O)c2ccccc12 ZINC001626837614 1194097614 /nfs/dbraw/zinc/09/76/14/1194097614.db2.gz AOHPDRFXWQOFBN-UHFFFAOYSA-N 0 0 323.348 3.190 20 10 DGCDRN COc1cc(C)ccc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001627254969 1194119034 /nfs/dbraw/zinc/11/90/34/1194119034.db2.gz ZKDWZVWRFIFPDL-UHFFFAOYSA-N 0 0 312.329 3.418 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)/C=C/C2CCCC2)cc1 ZINC001628468524 1194180362 /nfs/dbraw/zinc/18/03/62/1194180362.db2.gz CFUVPNXOUARJNK-MDWZMJQESA-N 0 0 316.445 3.336 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1ccc2[nH]ccc2c1 ZINC001628667381 1194190724 /nfs/dbraw/zinc/19/07/24/1194190724.db2.gz UTQHJWDXEMWJGY-UHFFFAOYSA-N 0 0 300.745 3.457 20 10 DGCDRN O=Cc1ccc(/C=C/C(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001628680364 1194191527 /nfs/dbraw/zinc/19/15/27/1194191527.db2.gz HMCOFSBWDISEOT-VMPITWQZSA-N 0 0 315.756 3.188 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCCC[C@H]2C=CCC2)cc1 ZINC001629376673 1194229866 /nfs/dbraw/zinc/22/98/66/1194229866.db2.gz LQEMAZUXKSOAGT-HNNXBMFYSA-N 0 0 301.434 3.298 20 10 DGCDRN Cc1ccc2oc(CNC(=O)/C=C/c3ccc(O)c(O)c3)cc2c1 ZINC001629448071 1194234818 /nfs/dbraw/zinc/23/48/18/1194234818.db2.gz IBYPJIVRQMWOJC-QPJJXVBHSA-N 0 0 323.348 3.482 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)NC[C@H]1Cc2ccccc21 ZINC001629925940 1194259385 /nfs/dbraw/zinc/25/93/85/1194259385.db2.gz VETGUKVRZMXIPC-CYBMUJFWSA-N 0 0 316.788 3.185 20 10 DGCDRN Cc1c[nH]c(NC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)n1 ZINC001629965173 1194261967 /nfs/dbraw/zinc/26/19/67/1194261967.db2.gz ZZYHOSGMVXFIHD-UHFFFAOYSA-N 0 0 322.368 3.190 20 10 DGCDRN C[C@@H](CC(=O)NCc1ccc(O)cc1O)c1ccc(F)cc1F ZINC001630301915 1194279326 /nfs/dbraw/zinc/27/93/26/1194279326.db2.gz NCGGPACTXUUYEJ-JTQLQIEISA-N 0 0 321.323 3.186 20 10 DGCDRN COc1ccc2c(c1)[C@@H](NC(=O)C1=CC(=O)CS1)CCC2 ZINC001630997793 1194314224 /nfs/dbraw/zinc/31/42/24/1194314224.db2.gz ZLPDIFKQKCNILP-AWEZNQCLSA-N 0 0 303.383 3.270 20 10 DGCDRN Cc1ccc2sc(CNC(=O)C3=CC(=O)CS3)nc2c1 ZINC001631149564 1194321967 /nfs/dbraw/zinc/32/19/67/1194321967.db2.gz DWJZRFAISIWSSB-UHFFFAOYSA-N 0 0 304.396 3.302 20 10 DGCDRN CCCC[C@H](O)CCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC001631439024 1194334955 /nfs/dbraw/zinc/33/49/55/1194334955.db2.gz SIXJAHBPSNJWCW-HNNXBMFYSA-N 0 0 319.445 3.219 20 10 DGCDRN Cc1ccc(/C=C\C(=O)NCc2c(O)ccc3c2CCCC3)cn1 ZINC001631439068 1194335043 /nfs/dbraw/zinc/33/50/43/1194335043.db2.gz UBNLCSVXYATDSZ-FLIBITNWSA-N 0 0 322.408 3.304 20 10 DGCDRN C[C@H](CN(C)C(=O)Cc1ccc(O)c(O)c1)C1CCCCC1 ZINC001631788166 1194355710 /nfs/dbraw/zinc/35/57/10/1194355710.db2.gz PFCBJEMJWYTIQV-CYBMUJFWSA-N 0 0 305.418 3.315 20 10 DGCDRN C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1cccc(O)c1O ZINC001631953746 1194363593 /nfs/dbraw/zinc/36/35/93/1194363593.db2.gz HVAVAACVYXSOIL-QWRGUYRKSA-N 0 0 315.344 3.385 20 10 DGCDRN C[C@@H](NC(=O)c1cc(Cl)cc(F)c1N)c1ccccc1O ZINC001632246386 1194378949 /nfs/dbraw/zinc/37/89/49/1194378949.db2.gz GENKAUSGQGMPHB-MRVPVSSYSA-N 0 0 308.740 3.258 20 10 DGCDRN C[C@@H](NC(=O)c1cccc(O)c1O)c1cc(Cl)ccc1F ZINC001632325910 1194382688 /nfs/dbraw/zinc/38/26/88/1194382688.db2.gz CKNFOJDNZAUUBN-MRVPVSSYSA-N 0 0 309.724 3.381 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2C[C@H](O)C23CCC3)cc1 ZINC001632933147 1194413086 /nfs/dbraw/zinc/41/30/86/1194413086.db2.gz PEFSZLJHLHCCAE-ROUUACIJSA-N 0 0 324.424 3.127 20 10 DGCDRN Cc1cccc(Cl)c1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC001633819957 1194457898 /nfs/dbraw/zinc/45/78/98/1194457898.db2.gz YASJDPVKJNNRGM-LLVKDONJSA-N 0 0 319.788 3.421 20 10 DGCDRN CCc1nc(C)c(NC(=O)c2ccc(N=NC(N)=O)cc2)s1 ZINC001634606226 1194504450 /nfs/dbraw/zinc/50/44/50/1194504450.db2.gz YXYZSLJIPAFMRK-UHFFFAOYSA-N 0 0 317.374 3.429 20 10 DGCDRN C[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)CC12CCCCC2 ZINC001634615912 1194504869 /nfs/dbraw/zinc/50/48/69/1194504869.db2.gz TWBYGERMSVFSGA-CQSZACIVSA-N 0 0 317.429 3.459 20 10 DGCDRN Cc1cc(CCNC(=O)C2CSC2)c(C)n1-c1ccccc1 ZINC001634866930 1194519901 /nfs/dbraw/zinc/51/99/01/1194519901.db2.gz RIVKAHIPIQZVEB-UHFFFAOYSA-N 0 0 314.454 3.116 20 10 DGCDRN CC[C@@H](NC(=O)c1cc(C)ccc1-n1c(C)ccc1C)[C@H](C)O ZINC001635346956 1194546257 /nfs/dbraw/zinc/54/62/57/1194546257.db2.gz VTNPMNDMBUYGCT-DOTOQJQBSA-N 0 0 314.429 3.292 20 10 DGCDRN C[C@@H](F)CCNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001635570238 1194559727 /nfs/dbraw/zinc/55/97/27/1194559727.db2.gz GXBNWMXYTAERPJ-CQSZACIVSA-N 0 0 307.413 3.176 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H](O)CC(C)C)cc1 ZINC001635705145 1194567005 /nfs/dbraw/zinc/56/70/05/1194567005.db2.gz PVDQCJSZVVVFLQ-GOSISDBHSA-N 0 0 314.429 3.231 20 10 DGCDRN C[C@@H](NC(=O)[C@](C)(O)c1ccc(Cl)cc1)c1ccccc1O ZINC001635799056 1194572444 /nfs/dbraw/zinc/57/24/44/1194572444.db2.gz NKJWRWMQLCSDTP-PIGZYNQJSA-N 0 0 319.788 3.131 20 10 DGCDRN C[C@H](NC(=O)c1c[nH]c2cc(=O)ccc-2c1)c1ccccc1O ZINC001635804302 1194573481 /nfs/dbraw/zinc/57/34/81/1194573481.db2.gz SLBKTXWOJADGSI-NSHDSACASA-N 0 0 308.337 3.137 20 10 DGCDRN O=C(NCc1c(O)cccc1O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001635846997 1194575826 /nfs/dbraw/zinc/57/58/26/1194575826.db2.gz GBUHZLFFCPRRIY-BFHYXJOUSA-N 0 0 303.402 3.321 20 10 DGCDRN CN(C)Cc1ccc(C(=O)NCc2c(O)ccc3ccccc32)o1 ZINC001635969633 1194582939 /nfs/dbraw/zinc/58/29/39/1194582939.db2.gz UPCYFCCMAWCCPG-UHFFFAOYSA-N 0 0 324.380 3.130 20 10 DGCDRN Cc1ccc(C(C)(C)CNC(=O)c2cccc(O)c2O)c(C)c1 ZINC001636533619 1194619227 /nfs/dbraw/zinc/61/92/27/1194619227.db2.gz LFDLQASUKCUZDN-UHFFFAOYSA-N 0 0 313.397 3.422 20 10 DGCDRN Cc1cccc(C2(C(=O)NCc3cc(O)ccc3O)CCC2)c1 ZINC001637122624 1194650782 /nfs/dbraw/zinc/65/07/82/1194650782.db2.gz KGINREMECROWLJ-UHFFFAOYSA-N 0 0 311.381 3.144 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)[C@H]1CCC[C@H]1c1ccccc1 ZINC001637126002 1194651477 /nfs/dbraw/zinc/65/14/77/1194651477.db2.gz JXODZZYEPXKULR-IRXDYDNUSA-N 0 0 311.381 3.298 20 10 DGCDRN CC(=O)c1cccc(C(=O)NCc2cccc(Cl)c2O)c1 ZINC001637227139 1194657965 /nfs/dbraw/zinc/65/79/65/1194657965.db2.gz PABYEMULBJKYCS-UHFFFAOYSA-N 0 0 303.745 3.178 20 10 DGCDRN CO/C(=C\c1ccccc1)C(=O)NCc1cccc(Cl)c1O ZINC001637227125 1194658052 /nfs/dbraw/zinc/65/80/52/1194658052.db2.gz ODFQDRPMGFJJKT-GDNBJRDFSA-N 0 0 317.772 3.349 20 10 DGCDRN Nc1c(Cl)cccc1C(=O)NCc1cccc(Cl)c1O ZINC001637232878 1194658658 /nfs/dbraw/zinc/65/86/58/1194658658.db2.gz YXIPLBYGWYSBDL-UHFFFAOYSA-N 0 0 311.168 3.211 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccc(Cl)[nH]1 ZINC001638244431 1194708517 /nfs/dbraw/zinc/70/85/17/1194708517.db2.gz WEGIJCOZEPHRCS-GFCCVEGCSA-N 0 0 319.836 3.404 20 10 DGCDRN CCN(C(=O)Cc1ccc(O)c(O)c1)c1ccc2[nH]ccc2c1 ZINC001638812700 1194738898 /nfs/dbraw/zinc/73/88/98/1194738898.db2.gz ANFUXOAJPOLXAV-UHFFFAOYSA-N 0 0 310.353 3.175 20 10 DGCDRN CN(C(=O)/C=C\c1cncc(O)c1)c1cccc2cccnc21 ZINC001639292010 1194759111 /nfs/dbraw/zinc/75/91/11/1194759111.db2.gz JTYDXZKZBSNQMM-FPLPWBNLSA-N 0 0 305.337 3.012 20 10 DGCDRN CCc1ccc(C(C)(C)C(=O)NCc2c(O)cccc2O)cc1 ZINC001639289119 1194759133 /nfs/dbraw/zinc/75/91/33/1194759133.db2.gz KIYUUVMMKARMOA-UHFFFAOYSA-N 0 0 313.397 3.254 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)[C@H]1CC1(Cl)Cl ZINC001639384779 1194762822 /nfs/dbraw/zinc/76/28/22/1194762822.db2.gz VCGFHYOJNJGECJ-GFCCVEGCSA-N 0 0 310.180 3.355 20 10 DGCDRN Cc1ccc(C)c(C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001639621765 1194774132 /nfs/dbraw/zinc/77/41/32/1194774132.db2.gz SNPLJLMTEINHHD-UHFFFAOYSA-N 0 0 306.365 3.487 20 10 DGCDRN Cc1cccc(CCC(=O)NCc2ccc3cccnc3c2O)c1 ZINC001639621386 1194774204 /nfs/dbraw/zinc/77/42/04/1194774204.db2.gz CAPOUBBATVSLJW-UHFFFAOYSA-N 0 0 320.392 3.498 20 10 DGCDRN FC(F)c1nnc2ccc(Sc3ncc(Cl)s3)nn21 ZINC001640213344 1194801866 /nfs/dbraw/zinc/80/18/66/1194801866.db2.gz UKDFXGVVVNRVRL-UHFFFAOYSA-N 0 0 319.749 3.323 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1CC[C@H]1C ZINC001640279440 1194805282 /nfs/dbraw/zinc/80/52/82/1194805282.db2.gz XHVKGJKJTMFMIX-SJKOYZFVSA-N 0 0 310.397 3.435 20 10 DGCDRN O=C(CCc1cccc(O)c1)NCc1cccc(Cl)c1O ZINC001640405249 1194811528 /nfs/dbraw/zinc/81/15/28/1194811528.db2.gz OAAAJJIYSCJBEE-UHFFFAOYSA-N 0 0 305.761 3.000 20 10 DGCDRN COc1ccc(/C=C/C(=O)NCc2cccc(Cl)c2O)cc1 ZINC001640405517 1194811667 /nfs/dbraw/zinc/81/16/67/1194811667.db2.gz WBLXXUTUJPFIIF-JXMROGBWSA-N 0 0 317.772 3.384 20 10 DGCDRN O=C(Nc1cnccc1Nc1ccccc1)C1=CC(=O)CS1 ZINC001640548015 1194819373 /nfs/dbraw/zinc/81/93/73/1194819373.db2.gz WNEVPLZNSXJHFF-UHFFFAOYSA-N 0 0 311.366 3.267 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H](C2CCCC2)C1 ZINC001640659634 1194824311 /nfs/dbraw/zinc/82/43/11/1194824311.db2.gz QMOMHGVKYCKBGS-HNNXBMFYSA-N 0 0 303.402 3.069 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CCc2ccc3ccccc3n2)c1 ZINC001640796774 1194828085 /nfs/dbraw/zinc/82/80/85/1194828085.db2.gz ONJVGAPIGKSUCO-UHFFFAOYSA-N 0 0 320.392 3.498 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1Cc2ccc(F)cc21 ZINC001640919852 1194832855 /nfs/dbraw/zinc/83/28/55/1194832855.db2.gz CIECMNQSZDGXNB-CQSZACIVSA-N 0 0 305.736 3.141 20 10 DGCDRN COC(=O)c1cnc(SCc2ncccc2Cl)s1 ZINC001641152284 1194842145 /nfs/dbraw/zinc/84/21/45/1194842145.db2.gz VJLFUNXZOYMWKS-UHFFFAOYSA-N 0 0 300.792 3.270 20 10 DGCDRN Cc1cc(C(=O)Nc2ccc[n+]([O-])c2)c(C)n1-c1ccccc1C ZINC001641416416 1194852628 /nfs/dbraw/zinc/85/26/28/1194852628.db2.gz AFXFGOIIABLGAS-UHFFFAOYSA-N 0 0 321.380 3.288 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cc(C)nc3ccccc32)c1 ZINC001641729395 1194868816 /nfs/dbraw/zinc/86/88/16/1194868816.db2.gz PNPDEEDPHHQALP-UHFFFAOYSA-N 0 0 306.365 3.487 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)COc2ccccc2Cl)c1 ZINC001641729358 1194868875 /nfs/dbraw/zinc/86/88/75/1194868875.db2.gz NTXQHNXPQANERE-UHFFFAOYSA-N 0 0 305.761 3.049 20 10 DGCDRN O=C(NC1(c2c(F)cccc2F)CCC1)c1cccc(O)c1O ZINC001642101172 1194888344 /nfs/dbraw/zinc/88/83/44/1194888344.db2.gz XSEQIGZUOFVRKJ-UHFFFAOYSA-N 0 0 319.307 3.185 20 10 DGCDRN CC[C@H](C)c1ncc(NC(=O)N(C)Cc2ccccc2O)cn1 ZINC001671204587 1194923123 /nfs/dbraw/zinc/92/31/23/1194923123.db2.gz KNSZPYFNWWKTCK-LBPRGKRZSA-N 0 0 314.389 3.360 20 10 DGCDRN C[C@@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1O ZINC001642827197 1194943283 /nfs/dbraw/zinc/94/32/83/1194943283.db2.gz BIYMMHPOVVPOKC-VXGBXAGGSA-N 0 0 314.341 3.281 20 10 DGCDRN C[C@@H](NC(=O)[C@@H](C)n1cnc2ccccc21)c1ccccc1O ZINC001642827215 1194943646 /nfs/dbraw/zinc/94/36/46/1194943646.db2.gz CFHZBRUZTLJKRO-CHWSQXEVSA-N 0 0 309.369 3.180 20 10 DGCDRN C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC001642827365 1194943657 /nfs/dbraw/zinc/94/36/57/1194943657.db2.gz FTWMDBNKNDNUTF-OBIHZWKSSA-N 0 0 312.325 3.191 20 10 DGCDRN C[C@@H](CSC(F)(F)F)C(=O)N[C@H](C)c1ccccc1O ZINC001642828072 1194944815 /nfs/dbraw/zinc/94/48/15/1194944815.db2.gz YMQYZCARUMJFON-DTWKUNHWSA-N 0 0 307.337 3.459 20 10 DGCDRN CO[C@H](C)CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001642911343 1194952550 /nfs/dbraw/zinc/95/25/50/1194952550.db2.gz GSSUNXGAGILPDG-GFCCVEGCSA-N 0 0 314.341 3.273 20 10 DGCDRN Oc1cccc(O)c1CNc1ccnc(Cc2ccccc2)n1 ZINC001643225822 1195006817 /nfs/dbraw/zinc/00/68/17/1195006817.db2.gz BUFMKQCOIUDATC-UHFFFAOYSA-N 0 0 307.353 3.091 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)c1ccc(Cl)o1 ZINC001643283396 1195010107 /nfs/dbraw/zinc/01/01/07/1195010107.db2.gz UAFCSBLVZZRYAD-UHFFFAOYSA-N 0 0 302.717 3.117 20 10 DGCDRN C[C@@H](NC(=O)c1cc(-c2cccc(O)c2)on1)c1ccccc1O ZINC001643741806 1195051200 /nfs/dbraw/zinc/05/12/00/1195051200.db2.gz ASGORFHLBOBKHT-LLVKDONJSA-N 0 0 324.336 3.244 20 10 DGCDRN C/C(=C/c1cccc(Cl)c1)C(=O)NCc1cccc(O)c1O ZINC001643813207 1195056217 /nfs/dbraw/zinc/05/62/17/1195056217.db2.gz YYMHUXQQWAEKMQ-FLIBITNWSA-N 0 0 317.772 3.471 20 10 DGCDRN COc1ccc2cc(C(=O)NCc3cc(O)ccc3O)ccc2c1 ZINC001643879527 1195060431 /nfs/dbraw/zinc/06/04/31/1195060431.db2.gz TUWKFIBTIHLROQ-UHFFFAOYSA-N 0 0 323.348 3.190 20 10 DGCDRN Cc1ccc([C@@H]2C[C@H]2C(=O)NCc2cc(O)ccc2O)cc1C ZINC001643882143 1195060693 /nfs/dbraw/zinc/06/06/93/1195060693.db2.gz OXWATKLNZLBQNG-DLBZAZTESA-N 0 0 311.381 3.135 20 10 DGCDRN O=C(COCc1cccc(Cl)c1)N1Cc2cccc(O)c2C1 ZINC001644088209 1195080535 /nfs/dbraw/zinc/08/05/35/1195080535.db2.gz KADDEATUZMQDNG-UHFFFAOYSA-N 0 0 317.772 3.105 20 10 DGCDRN Cc1cccc2c(CCC(=O)NCc3cccc(O)c3O)c[nH]c21 ZINC001644710845 1195128872 /nfs/dbraw/zinc/12/88/72/1195128872.db2.gz LGUGQAPMWWPTFK-UHFFFAOYSA-N 0 0 324.380 3.137 20 10 DGCDRN C[C@@H](Sc1ccc(F)cc1)C(=O)NCc1cccc(O)c1O ZINC001644711144 1195129142 /nfs/dbraw/zinc/12/91/42/1195129142.db2.gz UIQMJFJXFNOERS-SNVBAGLBSA-N 0 0 321.373 3.034 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)C1(Cc2ccccc2)CCC1 ZINC001644753556 1195131515 /nfs/dbraw/zinc/13/15/15/1195131515.db2.gz DHUURJOEKZBIER-UHFFFAOYSA-N 0 0 311.381 3.127 20 10 DGCDRN CSc1cc(C(=O)NCc2c(O)cccc2F)ccc1F ZINC001646035219 1195211218 /nfs/dbraw/zinc/21/12/18/1195211218.db2.gz SDMFUWYJNIEOKS-UHFFFAOYSA-N 0 0 309.337 3.322 20 10 DGCDRN CC(C)(C)Oc1cccc(C(=O)NCc2c(O)cccc2O)c1 ZINC001647291255 1195247415 /nfs/dbraw/zinc/24/74/15/1195247415.db2.gz VOAUVRYRCJOIOR-UHFFFAOYSA-N 0 0 315.369 3.205 20 10 DGCDRN CC(=O)CC1(C(=O)NCc2c(O)ccc3ccccc32)CCC1 ZINC001647790928 1195253087 /nfs/dbraw/zinc/25/30/87/1195253087.db2.gz CKNMIRJVNXFBDJ-UHFFFAOYSA-N 0 0 311.381 3.311 20 10 DGCDRN O=C(C[C@@H]1CCCC[C@H]1O)NCc1c(O)ccc2ccccc21 ZINC001647791294 1195253230 /nfs/dbraw/zinc/25/32/30/1195253230.db2.gz NFUDOHHDDOLGNX-WMLDXEAASA-N 0 0 313.397 3.103 20 10 DGCDRN Cc1oc(C=O)cc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001647794026 1195253268 /nfs/dbraw/zinc/25/32/68/1195253268.db2.gz ADZMCRMALQORHK-UHFFFAOYSA-N 0 0 309.321 3.189 20 10 DGCDRN COc1ccccc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001647788333 1195253281 /nfs/dbraw/zinc/25/32/81/1195253281.db2.gz COOHGJRBQPKVRT-UHFFFAOYSA-N 0 0 307.349 3.484 20 10 DGCDRN COc1ccc(F)cc1C(=O)NCc1cccc(Cl)c1O ZINC001647826940 1195256322 /nfs/dbraw/zinc/25/63/22/1195256322.db2.gz PQDLCAZQHQZXNG-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN CCOc1ccc(N(CCCN2CCOCC2)CC2CC2)cc1 ZINC001648030752 1195271793 /nfs/dbraw/zinc/27/17/93/1195271793.db2.gz UZBFYQIDDLEBRE-UHFFFAOYSA-N 0 0 318.461 3.024 20 10 DGCDRN Cn1cc(C(=O)NCc2cccc(Cl)c2O)c2ccccc21 ZINC001648606621 1195312672 /nfs/dbraw/zinc/31/26/72/1195312672.db2.gz UJTKPVLUFZCPQG-UHFFFAOYSA-N 0 0 314.772 3.467 20 10 DGCDRN CCO[C@H](C(=O)NCc1cccc(Cl)c1O)c1ccccc1 ZINC001648606543 1195313410 /nfs/dbraw/zinc/31/34/10/1195313410.db2.gz SCROJXFURBTVQD-INIZCTEOSA-N 0 0 319.788 3.440 20 10 DGCDRN CC(=O)N1Cc2ccc(NCc3cc(F)cc(F)c3O)cc2C1 ZINC001650642584 1195368505 /nfs/dbraw/zinc/36/85/05/1195368505.db2.gz KFFCVVHXZTUHSR-UHFFFAOYSA-N 0 0 318.323 3.145 20 10 DGCDRN O=C(c1sccc1OC(F)F)N1Cc2cccc(O)c2C1 ZINC001650674735 1195370645 /nfs/dbraw/zinc/37/06/45/1195370645.db2.gz NIKDOFAQQDLIIB-UHFFFAOYSA-N 0 0 311.309 3.211 20 10 DGCDRN O=[N+]([O-])c1cncc(Cl)c1NCc1cc(Cl)ccc1O ZINC001651219377 1195428129 /nfs/dbraw/zinc/42/81/29/1195428129.db2.gz OZNZGDAIYTZJBO-UHFFFAOYSA-N 0 0 314.128 3.036 20 10 DGCDRN O=C(CCCc1c[nH]c2ccccc12)NCc1cc(O)ccc1O ZINC001651222705 1195428260 /nfs/dbraw/zinc/42/82/60/1195428260.db2.gz NDJCSDJUCFVGJT-UHFFFAOYSA-N 0 0 324.380 3.218 20 10 DGCDRN CCCOc1ccnc(NCc2ccc(N3CC=CC3)cc2)n1 ZINC001651557323 1195480443 /nfs/dbraw/zinc/48/04/43/1195480443.db2.gz JXQMAXAEQCXHSE-UHFFFAOYSA-N 0 0 310.401 3.254 20 10 DGCDRN CCOc1cc(N[C@@H](C)c2ccc(N(C)C)cc2)nc(C)n1 ZINC001651763645 1195506615 /nfs/dbraw/zinc/50/66/15/1195506615.db2.gz NJRWZGNDVVOEKO-LBPRGKRZSA-N 0 0 300.406 3.423 20 10 DGCDRN CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(F)c(F)cc2[O-])C12CCC2 ZINC001651894752 1195520882 /nfs/dbraw/zinc/52/08/82/1195520882.db2.gz UGUAOANDSAFFPA-HOTGVXAUSA-N 0 0 311.372 3.450 20 10 DGCDRN CN(Cc1ncc(Cl)n1C)Cc1ccc(Cl)cc1O ZINC001652015389 1195536294 /nfs/dbraw/zinc/53/62/94/1195536294.db2.gz OGTQFNXEKNHGMC-UHFFFAOYSA-N 0 0 300.189 3.065 20 10 DGCDRN COC(=O)c1cnc(S/C=C\c2ccc([N+](=O)[O-])o2)s1 ZINC001652002676 1195535681 /nfs/dbraw/zinc/53/56/81/1195535681.db2.gz PLVZUGIEQYYMEX-PLNGDYQASA-N 0 0 312.328 3.194 20 10 DGCDRN COC(=O)/C=C/c1ccc(N2C[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC001652013776 1195536444 /nfs/dbraw/zinc/53/64/44/1195536444.db2.gz KTKARXUTJGQPOB-BIYBCCJYSA-N 0 0 316.357 3.160 20 10 DGCDRN Cc1ccc(C(=O)NCCC2(c3ccccc3)CC2)c(O)c1O ZINC001652151163 1195554534 /nfs/dbraw/zinc/55/45/34/1195554534.db2.gz FIORGQKIWYFADN-UHFFFAOYSA-N 0 0 311.381 3.258 20 10 DGCDRN O=C(/C=C/c1ccc2[nH]ccc2c1)NCc1c(O)cccc1F ZINC001652297918 1195577089 /nfs/dbraw/zinc/57/70/89/1195577089.db2.gz BIWFNPKDKHIKDR-FNORWQNLSA-N 0 0 310.328 3.342 20 10 DGCDRN COC1(C)CN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC001652404134 1195593496 /nfs/dbraw/zinc/59/34/96/1195593496.db2.gz HJDJEHXKUKMWKH-UHFFFAOYSA-N 0 0 322.452 3.470 20 10 DGCDRN Cn1c(-c2ccccc2)cnc1SCOC(=O)C1CCC1 ZINC001652516925 1195610418 /nfs/dbraw/zinc/61/04/18/1195610418.db2.gz WUYGLKQWGWTUQP-UHFFFAOYSA-N 0 0 302.399 3.480 20 10 DGCDRN Cc1nc(CC(=O)NCc2c(O)ccc3ccccc32)cs1 ZINC001652705931 1195638250 /nfs/dbraw/zinc/63/82/50/1195638250.db2.gz QZKDODKMCDAIGP-UHFFFAOYSA-N 0 0 312.394 3.169 20 10 DGCDRN O=Cc1cc(C(=O)NCc2c(O)ccc3ccccc32)ccc1F ZINC001652708862 1195638556 /nfs/dbraw/zinc/63/85/56/1195638556.db2.gz OGSUTOCLDHDFLQ-UHFFFAOYSA-N 0 0 323.323 3.427 20 10 DGCDRN CS(=O)(=O)c1cccc(CSc2ncc(Cl)s2)c1 ZINC001652985110 1195677412 /nfs/dbraw/zinc/67/74/12/1195677412.db2.gz TWVPBAABPNYMHB-UHFFFAOYSA-N 0 0 319.860 3.492 20 10 DGCDRN COC(=O)c1cc(OCc2ccc(F)c(F)c2)ccc1N(C)C ZINC001653033534 1195682260 /nfs/dbraw/zinc/68/22/60/1195682260.db2.gz KIMNLVFEVUUCKA-UHFFFAOYSA-N 0 0 321.323 3.396 20 10 DGCDRN CN(C)c1ccc(/C=C/CN2CC(C(=O)OC(C)(C)C)C2)cc1 ZINC001653253067 1195704300 /nfs/dbraw/zinc/70/43/00/1195704300.db2.gz XPWKEBHBOOAOII-VOTSOKGWSA-N 0 0 316.445 3.039 20 10 DGCDRN O=C(CCSc1ccccn1)NCc1cccc(Cl)c1O ZINC001653567177 1195734936 /nfs/dbraw/zinc/73/49/36/1195734936.db2.gz ODQDYAXKYADTGP-UHFFFAOYSA-N 0 0 322.817 3.239 20 10 DGCDRN COc1cc(OC)c(CNc2ccc3c(c2)ncn3C)cc1F ZINC001655819540 1195966491 /nfs/dbraw/zinc/96/64/91/1195966491.db2.gz ANAOWVHQCDZJJT-UHFFFAOYSA-N 0 0 315.348 3.342 20 10 DGCDRN Oc1c(F)cc(Cl)cc1CNc1cccc(-n2ccnn2)c1 ZINC001655899431 1195975019 /nfs/dbraw/zinc/97/50/19/1195975019.db2.gz YBOKYMQXEHOEBR-UHFFFAOYSA-N 0 0 318.739 3.378 20 10 DGCDRN CC(C)c1nnc([C@H](C)NCc2ccc(N3CCCC3)cc2)[nH]1 ZINC001656040828 1195991205 /nfs/dbraw/zinc/99/12/05/1195991205.db2.gz KVZGRNIGJPXRLA-AWEZNQCLSA-N 0 0 313.449 3.379 20 10 DGCDRN COCCCCC[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC001656258154 1196024233 /nfs/dbraw/zinc/02/42/33/1196024233.db2.gz GPNYYQAQQXGCSS-UHFFFAOYSA-N 0 0 316.239 3.369 20 10 DGCDRN Oc1cccc(Br)c1CNc1cccc2n[nH]nc21 ZINC001656269465 1196025425 /nfs/dbraw/zinc/02/54/25/1196025425.db2.gz ZVZJNSQNKOBBAX-UHFFFAOYSA-N 0 0 319.162 3.038 20 10 DGCDRN Cc1cc(O)c(CNc2cccc3c2OCC(=O)N3)c(Cl)c1 ZINC001656361834 1196032732 /nfs/dbraw/zinc/03/27/32/1196032732.db2.gz ZIUISLXVYPKJIJ-UHFFFAOYSA-N 0 0 318.760 3.297 20 10 DGCDRN CC(C)[C@H](NCc1ccc2c(c1)CCCO2)C(=O)OC(C)(C)C ZINC001656719109 1196064866 /nfs/dbraw/zinc/06/48/66/1196064866.db2.gz QFMGKHHQOMSVIF-KRWDZBQOSA-N 0 0 319.445 3.468 20 10 DGCDRN COC(=O)c1cc(OCC[C@@H]2C[C@H]2C2CC2)ccc1N(C)C ZINC001656826060 1196073717 /nfs/dbraw/zinc/07/37/17/1196073717.db2.gz MMJIVULJNJAWBS-HIFRSBDPSA-N 0 0 303.402 3.354 20 10 DGCDRN C[C@H]1Cc2ccccc2N1CC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001656980026 1196089099 /nfs/dbraw/zinc/08/90/99/1196089099.db2.gz BNRGHDBIMXFNPM-LBPRGKRZSA-N 0 0 318.367 3.211 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H](O)C1CCCCC1 ZINC001657064542 1196099445 /nfs/dbraw/zinc/09/94/45/1196099445.db2.gz PGROVHZAWJHZGU-AWEZNQCLSA-N 0 0 301.789 3.216 20 10 DGCDRN COC(=O)NCc1ccc(NCc2cc(F)cc(F)c2O)cc1 ZINC001657221134 1196119996 /nfs/dbraw/zinc/11/99/96/1196119996.db2.gz NOHBTHAAZRRLEQ-UHFFFAOYSA-N 0 0 322.311 3.139 20 10 DGCDRN CN(CC[N@H+](C)Cc1cc(F)c(F)cc1[O-])c1ccccc1 ZINC001657494927 1196148980 /nfs/dbraw/zinc/14/89/80/1196148980.db2.gz SOVDRCFQJJWHHT-UHFFFAOYSA-N 0 0 306.356 3.239 20 10 DGCDRN Oc1cc(Cl)ccc1CNc1cccc2c1OCC[C@H]2O ZINC001657681707 1196169527 /nfs/dbraw/zinc/16/95/27/1196169527.db2.gz FTOCEPYUPCBARH-CQSZACIVSA-N 0 0 305.761 3.474 20 10 DGCDRN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H](CO)CC(C)(C)C ZINC001658117496 1196213717 /nfs/dbraw/zinc/21/37/17/1196213717.db2.gz XNVALYHJPLZKRN-NSHDSACASA-N 0 0 303.805 3.414 20 10 DGCDRN CN(C)C(=O)Nc1cccc(NCc2cc(F)c(F)cc2O)c1 ZINC001658128702 1196215237 /nfs/dbraw/zinc/21/52/37/1196215237.db2.gz KRDYKVIYLDURTA-UHFFFAOYSA-N 0 0 321.327 3.376 20 10 DGCDRN CN(C)c1ccc(CN(C2CC2)C2COC2)c(C(F)(F)F)c1 ZINC001658174739 1196221348 /nfs/dbraw/zinc/22/13/48/1196221348.db2.gz VVIYBAZDEKFNCH-UHFFFAOYSA-N 0 0 314.351 3.135 20 10 DGCDRN CC[C@H]1CCC[N@@H+]1Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC001658219263 1196225756 /nfs/dbraw/zinc/22/57/56/1196225756.db2.gz VPZDYWFGZNWFQH-ZDUSSCGKSA-N 0 0 318.392 3.478 20 10 DGCDRN CN(C)c1ccc(/C=C\CN2c3ccccc3C[C@H]2CO)cc1 ZINC001658440465 1196256584 /nfs/dbraw/zinc/25/65/84/1196256584.db2.gz HMRCBYSDVDRGPG-VOFKWLDRSA-N 0 0 308.425 3.189 20 10 DGCDRN COc1ncc(CN(Cc2ccc(N(C)C)cc2)C2CC2)s1 ZINC001658721980 1196293361 /nfs/dbraw/zinc/29/33/61/1196293361.db2.gz VEGSQCIDAIELQB-UHFFFAOYSA-N 0 0 317.458 3.382 20 10 DGCDRN [O-]c1cccc(F)c1C[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC001658942426 1196321915 /nfs/dbraw/zinc/32/19/15/1196321915.db2.gz YAZFRBVDIVAXMD-UHFFFAOYSA-N 0 0 315.373 3.340 20 10 DGCDRN Oc1cc(F)c(F)cc1CN1CCO[C@@H](c2ccccc2F)C1 ZINC001658973087 1196326760 /nfs/dbraw/zinc/32/67/60/1196326760.db2.gz ZMGSQRSYIWSPTI-QGZVFWFLSA-N 0 0 323.314 3.383 20 10 DGCDRN COC[C@H]([NH2+]Cc1cc(F)c(F)cc1[O-])c1ccc(F)cc1 ZINC001659082331 1196341602 /nfs/dbraw/zinc/34/16/02/1196341602.db2.gz VUPGYBKKSUWQID-HNNXBMFYSA-N 0 0 311.303 3.287 20 10 DGCDRN COc1ccc(C[NH2+]Cc2cccc(Br)c2[O-])o1 ZINC001659105904 1196345255 /nfs/dbraw/zinc/34/52/55/1196345255.db2.gz AZIKSDQKCRZTMG-UHFFFAOYSA-N 0 0 312.163 3.046 20 10 DGCDRN COc1c(NCc2cc(Cl)c(C)cc2O)cccc1C(N)=O ZINC001659202351 1196358697 /nfs/dbraw/zinc/35/86/97/1196358697.db2.gz UFSAXGSQDQJELK-UHFFFAOYSA-N 0 0 320.776 3.074 20 10 DGCDRN O=C1CC[C@@H](c2cccc(NCc3cc(F)c(F)cc3O)c2)N1 ZINC001659464923 1196385667 /nfs/dbraw/zinc/38/56/67/1196385667.db2.gz BRDWEBZOQUQKOL-HNNXBMFYSA-N 0 0 318.323 3.234 20 10 DGCDRN Cc1ccc(C[NH2+]C[C@@H](C(=O)OC(C)(C)C)C(C)C)c(O)c1 ZINC001659543343 1196393723 /nfs/dbraw/zinc/39/37/23/1196393723.db2.gz ZPEDODWZESTSNJ-OAHLLOKOSA-N 0 0 307.434 3.404 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(F)c(F)cc1[O-])[C@@](C)(O)c1ccccc1 ZINC001659577634 1196396687 /nfs/dbraw/zinc/39/66/87/1196396687.db2.gz HFPHYUFGKFUVCI-PIGZYNQJSA-N 0 0 307.340 3.056 20 10 DGCDRN C[C@H](O)[C@H]([NH2+]Cc1cc(F)c(F)cc1[O-])c1ccccc1F ZINC001659585948 1196397514 /nfs/dbraw/zinc/39/75/14/1196397514.db2.gz FYMDOMFYAUCWPE-FVMDXXJSSA-N 0 0 311.303 3.021 20 10 DGCDRN CN(C(N)=O)c1cccc(NCc2cc(Cl)c(F)cc2O)c1 ZINC001659647263 1196402948 /nfs/dbraw/zinc/40/29/48/1196402948.db2.gz KUGGQTFWVYVRIS-UHFFFAOYSA-N 0 0 323.755 3.312 20 10 DGCDRN Oc1ccc2c(c1)CN(Cc1ccc(Br)cc1O)C2 ZINC001659694168 1196406219 /nfs/dbraw/zinc/40/62/19/1196406219.db2.gz ZIWLEFOVWNIZTP-UHFFFAOYSA-N 0 0 320.186 3.376 20 10 DGCDRN Cn1c(CNCc2c(O)cccc2F)nc2cc(Cl)ccc21 ZINC001660046962 1196440314 /nfs/dbraw/zinc/44/03/14/1196440314.db2.gz CHDLVJITYWFDAH-UHFFFAOYSA-N 0 0 319.767 3.361 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001660694486 1196512812 /nfs/dbraw/zinc/51/28/12/1196512812.db2.gz APZFXAZFIVHQFM-KDOFPFPSSA-N 0 0 301.336 3.444 20 10 DGCDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)c1ccccc1O ZINC001660950004 1196545771 /nfs/dbraw/zinc/54/57/71/1196545771.db2.gz CWMMPNOOURJFKN-LLVKDONJSA-N 0 0 315.329 3.492 20 10 DGCDRN CCOC(OCC)[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001663514194 1196891592 /nfs/dbraw/zinc/89/15/92/1196891592.db2.gz QICZDBMNFBBWFI-VIFPVBQESA-N 0 0 305.777 3.062 20 10 DGCDRN CCC[N@H+](CCN(CC)CC)Cc1cc(F)cc(F)c1[O-] ZINC001664204517 1196980191 /nfs/dbraw/zinc/98/01/91/1196980191.db2.gz HKAJLCJRSZSDFG-UHFFFAOYSA-N 0 0 300.393 3.224 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@H]1CCOc2c(F)cccc21 ZINC001664311092 1196988900 /nfs/dbraw/zinc/98/89/00/1196988900.db2.gz VDTNKAQIBUUBJJ-AWEZNQCLSA-N 0 0 309.287 3.423 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)Nc1cnc2[nH]ccc2c1 ZINC001664610773 1197021123 /nfs/dbraw/zinc/02/11/23/1197021123.db2.gz NKYPFSJFNUSLLL-UHFFFAOYSA-N 0 0 316.748 3.195 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Cc1coc(-c2ccccc2)n1 ZINC000080133552 1197027772 /nfs/dbraw/zinc/02/77/72/1197027772.db2.gz XUVOQIQQBAIFQH-UHFFFAOYSA-N 0 0 322.364 3.248 20 10 DGCDRN Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2ccc(Cl)cc2[O-])cn1 ZINC001665269856 1197117217 /nfs/dbraw/zinc/11/72/17/1197117217.db2.gz NJFVNISZZQXTMO-CJNGLKHVSA-N 0 0 319.836 3.280 20 10 DGCDRN C[C@]1(C(F)(F)F)CN(Cc2ccc(Cl)cc2O)CCO1 ZINC001665493632 1197143746 /nfs/dbraw/zinc/14/37/46/1197143746.db2.gz HVMKZVQUTZREGJ-GFCCVEGCSA-N 0 0 309.715 3.199 20 10 DGCDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001687605763 1197324589 /nfs/dbraw/zinc/32/45/89/1197324589.db2.gz PBJZWQPTDQBQNY-HUHSQHJXSA-N 0 0 315.461 3.186 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc(-c3cc[nH]n3)cc2)c1 ZINC001668359805 1197412105 /nfs/dbraw/zinc/41/21/05/1197412105.db2.gz XRDMLVMDTSPEKN-UHFFFAOYSA-N 0 0 322.368 3.412 20 10 DGCDRN CC(C)O[C@H]1C[C@@H](NC(=O)N[C@@H](C)c2ccccc2O)C1(C)C ZINC001671411300 1197538673 /nfs/dbraw/zinc/53/86/73/1197538673.db2.gz SRCZIGICWKOSAW-MAZHCROVSA-N 0 0 320.433 3.345 20 10 DGCDRN Cc1c(Cl)nccc1NC(=O)N1Cc2cccc(O)c2C1 ZINC001672545381 1197616575 /nfs/dbraw/zinc/61/65/75/1197616575.db2.gz BZOGAZHZQYIRCV-UHFFFAOYSA-N 0 0 303.749 3.297 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)N[C@H]1CC2CCC1CC2 ZINC001672988673 1197633402 /nfs/dbraw/zinc/63/34/02/1197633402.db2.gz MAROLYNNZQYUGF-MGULZYLOSA-N 0 0 308.809 3.424 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC[C@@H](C)C1 ZINC001673738101 1197688616 /nfs/dbraw/zinc/68/86/16/1197688616.db2.gz UYHINURUDMNYPD-GDBMZVCRSA-N 0 0 317.477 3.434 20 10 DGCDRN COc1cccc(CNC(=O)NC[C@@H]2CCC=CCCC2)c1O ZINC001676704151 1198367143 /nfs/dbraw/zinc/36/71/43/1198367143.db2.gz BVNPTXMFSHLPBG-CQSZACIVSA-N 0 0 318.417 3.337 20 10 DGCDRN Cc1nc(NC(=O)NCc2cc(Cl)ccc2O)sc1C ZINC001676843719 1198406235 /nfs/dbraw/zinc/40/62/35/1198406235.db2.gz PXLFEXKMVJALNH-UHFFFAOYSA-N 0 0 311.794 3.441 20 10 DGCDRN CC[C@@](C)(NC(=O)NCc1ccc2c(c1)CCCN2C)C1CC1 ZINC001677536032 1198548487 /nfs/dbraw/zinc/54/84/87/1198548487.db2.gz SYWORCDOPOOEDH-LJQANCHMSA-N 0 0 315.461 3.447 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N[C@@H]3C[C@@H]4CCC[C@H]34)ccc21 ZINC001677846857 1198594758 /nfs/dbraw/zinc/59/47/58/1198594758.db2.gz APRAFOHKLKVPBF-BHYGNILZSA-N 0 0 313.445 3.057 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC[C@@]23C[C@@H]2CCCC3)cc1F ZINC001677946926 1198609469 /nfs/dbraw/zinc/60/94/69/1198609469.db2.gz FZPWNGFXXAFILE-KBXCAEBGSA-N 0 0 319.424 3.271 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1C[C@H]1CC(C)C ZINC001678645550 1198713634 /nfs/dbraw/zinc/71/36/34/1198713634.db2.gz VUGIPOIJUARFNL-NVXWUHKLSA-N 0 0 303.450 3.295 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)Nc1cnn2ccccc12 ZINC001679504288 1198801914 /nfs/dbraw/zinc/80/19/14/1198801914.db2.gz HIXSPQODPPQDBM-UHFFFAOYSA-N 0 0 316.748 3.015 20 10 DGCDRN CC[C@@H](C)Oc1cccc(NC(=O)NCc2ccccc2O)n1 ZINC001680031747 1198850323 /nfs/dbraw/zinc/85/03/23/1198850323.db2.gz KORWPXJQHPTJFF-GFCCVEGCSA-N 0 0 315.373 3.286 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)NC1Cc2ccccc2C1 ZINC001681179932 1198955047 /nfs/dbraw/zinc/95/50/47/1198955047.db2.gz LPMUSALWQJIZPO-UHFFFAOYSA-N 0 0 316.788 3.012 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@H]2CC(C)(C)C)cc1 ZINC001682351259 1199153157 /nfs/dbraw/zinc/15/31/57/1199153157.db2.gz WIRHAADMEBFRFH-GOEBONIOSA-N 0 0 303.450 3.377 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC1C(C)(C)C1(C)C ZINC001684306145 1199374167 /nfs/dbraw/zinc/37/41/67/1199374167.db2.gz WNGYMVYGOQDIAX-UHFFFAOYSA-N 0 0 303.450 3.295 20 10 DGCDRN O=C(NC/C=C\c1ccccc1)NCc1c(O)cccc1F ZINC001684421737 1199383787 /nfs/dbraw/zinc/38/37/87/1199383787.db2.gz RLWMRTDOBNKCSQ-YVMONPNESA-N 0 0 300.333 3.044 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCc1cccc2ncccc12 ZINC001685026977 1199435608 /nfs/dbraw/zinc/43/56/08/1199435608.db2.gz VTLSDBCFVNHWOC-UHFFFAOYSA-N 0 0 321.380 3.282 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC[C@H]2C[C@@H]2C2CCCC2)c1 ZINC001685785171 1199508017 /nfs/dbraw/zinc/50/80/17/1199508017.db2.gz HGJMUYGMJIMMIL-GDBMZVCRSA-N 0 0 302.418 3.326 20 10 DGCDRN C[C@@H](NC(=O)NC[C@]12C[C@H]1CCC2)c1ccc(N(C)C)cc1 ZINC001686173137 1199537632 /nfs/dbraw/zinc/53/76/32/1199537632.db2.gz CDUBUMLUESEMJU-SIIHOXLZSA-N 0 0 301.434 3.303 20 10 DGCDRN Cc1nnc(N(C)CC2CC2)n1CCCSc1nccs1 ZINC001693462354 1201068209 /nfs/dbraw/zinc/06/82/09/1201068209.db2.gz DPJSZTZOLPTUBA-UHFFFAOYSA-N 0 0 323.491 3.072 20 10 DGCDRN CCCc1n[nH]cc1C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000133744808 1201194265 /nfs/dbraw/zinc/19/42/65/1201194265.db2.gz ARPQWOMEMMDUBR-UHFFFAOYSA-N 0 0 314.433 3.091 20 10 DGCDRN Cc1nnc(N(C)Cc2ccccc2O)n1CCC1(C)CC1 ZINC001742754799 1201275879 /nfs/dbraw/zinc/27/58/79/1201275879.db2.gz SLXPBBAIVJTJAX-UHFFFAOYSA-N 0 0 300.406 3.119 20 10 DGCDRN CCOC(=O)Nc1ccc(NC(=O)Cc2ccc(N)cc2)cc1 ZINC000236926013 1202635901 /nfs/dbraw/zinc/63/59/01/1202635901.db2.gz WVSTVZSBTVITSQ-UHFFFAOYSA-N 0 0 313.357 3.018 20 10 DGCDRN CC(C)OC[C@H](O)CNc1ccccc1C(=O)c1ccccc1 ZINC000192587138 1203289747 /nfs/dbraw/zinc/28/97/47/1203289747.db2.gz RKSORBIXNJDAIP-MRXNPFEDSA-N 0 0 313.397 3.115 20 10 DGCDRN Cc1cc(C[N@@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])ccc1N(C)C ZINC001594302620 957924138 /nfs/dbraw/zinc/92/41/38/957924138.db2.gz ALSLTVQNEHFYGB-LJQANCHMSA-N 0 0 324.424 3.245 20 10 DGCDRN Cc1cc(O)c(C[N@@H+]2CCC[C@H](CCC(=O)[O-])C2)cc1Cl ZINC001594327011 958181930 /nfs/dbraw/zinc/18/19/30/958181930.db2.gz MTBDBOWJQAOJFX-GFCCVEGCSA-N 0 0 311.809 3.431 20 10 DGCDRN CCCOc1ccc(C[NH2+][C@@H](CC(F)(F)F)C(=O)[O-])cc1C ZINC001334778316 961826239 /nfs/dbraw/zinc/82/62/39/961826239.db2.gz GLGGNATUARVQCY-LBPRGKRZSA-N 0 0 319.323 3.279 20 10 DGCDRN O=C([O-])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001356022020 962731301 /nfs/dbraw/zinc/73/13/01/962731301.db2.gz CTQCGFIMFZFTLW-IBGZPJMESA-N 0 0 324.424 3.072 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1C(=O)[O-])c1ccc(N(C)C)cc1 ZINC000316310520 964001772 /nfs/dbraw/zinc/00/17/72/964001772.db2.gz KLVDBCIKEFEJKH-JLJPHGGASA-N 0 0 304.434 3.294 20 10 DGCDRN CC(C)c1[nH]c(C[NH2+]Cc2ccc(N(C)C)cc2)cc1C(=O)[O-] ZINC001591918498 976384906 /nfs/dbraw/zinc/38/49/06/976384906.db2.gz TUYBPWLENHDCGL-UHFFFAOYSA-N 0 0 315.417 3.192 20 10 DGCDRN CCC(CC)(CC(=O)[O-])[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC001595057353 979299440 /nfs/dbraw/zinc/29/94/40/979299440.db2.gz QCBFHVIVIRBJDM-UHFFFAOYSA-N 0 0 315.797 3.177 20 10 DGCDRN CC[C@@H](C)C[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)C(=O)[O-] ZINC001594954322 982685997 /nfs/dbraw/zinc/68/59/97/982685997.db2.gz XUQHDADMHXJFKP-BXKDBHETSA-N 0 0 315.797 3.033 20 10 DGCDRN CCC[N@H+](Cc1ccc(/C=C/C(=O)[O-])o1)Cc1ccccc1O ZINC001595888236 982917224 /nfs/dbraw/zinc/91/72/24/982917224.db2.gz KWUYUPJUVPPZNT-MDZDMXLPSA-N 0 0 315.369 3.495 20 10 DGCDRN CCCN(c1ccc(C[NH3+])cc1)C1CCC(CC(=O)[O-])CC1 ZINC001595894615 982930683 /nfs/dbraw/zinc/93/06/83/982930683.db2.gz NNUAFISXCSDFCJ-UHFFFAOYSA-N 0 0 304.434 3.395 20 10 DGCDRN CN(C)c1ccc(/C=C/C[NH2+][C@H](C(=O)[O-])c2ccccc2)cc1 ZINC001598314143 991293255 /nfs/dbraw/zinc/29/32/55/991293255.db2.gz CZJLEPFHZUZBRW-DKFQHHCZSA-N 0 0 310.397 3.181 20 10 DGCDRN Cn1c2ccc(F)cc2c(C[N@H+](C)CC(C)(C)C)c1C(=O)[O-] ZINC001598505424 992496224 /nfs/dbraw/zinc/49/62/24/992496224.db2.gz HYLMZYUMHAPDAQ-UHFFFAOYSA-N 0 0 306.381 3.494 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCCC12CCOCC2)c1cc(C(=O)[O-])ccc1O ZINC001593225807 994349900 /nfs/dbraw/zinc/34/99/00/994349900.db2.gz YJQAKCYUCLTLPA-LRDDRELGSA-N 0 0 319.401 3.090 20 10 DGCDRN C[C@@H]([NH2+]C[C@](C)(O)C1CCCCC1)c1cc(C(=O)[O-])ccc1O ZINC001593240708 994430814 /nfs/dbraw/zinc/43/08/14/994430814.db2.gz ROKYGDGTACLLSJ-XIKOKIGWSA-N 0 0 321.417 3.072 20 10 DGCDRN C[C@H]([NH2+]CC(C)(C)C(C)(F)F)c1cc(C(=O)[O-])ccc1O ZINC001593241198 994436025 /nfs/dbraw/zinc/43/60/25/994436025.db2.gz XHRHFKRBJNSCFO-VIFPVBQESA-N 0 0 301.333 3.422 20 10 DGCDRN C[C@]([NH2+]Cc1ccc2c(c1)CCCO2)(C(=O)[O-])c1ccccc1 ZINC001593303797 994738549 /nfs/dbraw/zinc/73/85/49/994738549.db2.gz FZXDLGQIMCAVOZ-LJQANCHMSA-N 0 0 311.381 3.101 20 10 DGCDRN COc1cc(C)c(C[NH2+]C[C@H](C(=O)[O-])C2CCCCC2)c(O)c1 ZINC001599391229 997039784 /nfs/dbraw/zinc/03/97/84/997039784.db2.gz MKZXTNAAFLRHBZ-INIZCTEOSA-N 0 0 321.417 3.080 20 10 DGCDRN COCC[C@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)c1ccco1 ZINC001599219136 997635765 /nfs/dbraw/zinc/63/57/65/997635765.db2.gz WPBWLDHDZBGMPD-FZMZJTMJSA-N 0 0 319.357 3.112 20 10 DGCDRN O=C(CSCc1cccs1)NCc1c(O)cccc1F ZINC001638862532 1194741598 /nfs/dbraw/zinc/74/15/98/1194741598.db2.gz AIUAYFFXEGQMBR-UHFFFAOYSA-N 0 0 311.403 3.142 20 10 DGCDRN C/C(=C/c1cccnc1)C(=O)N(C)c1cnc2ccccc2n1 ZINC001129363700 1081713243 /nfs/dbraw/zinc/71/32/43/1081713243.db2.gz ZJPVUXHIULUGNA-RAXLEYEMSA-N 0 0 304.353 3.091 20 10 DGCDRN Oc1ccc(CNc2cncc(Oc3ccccc3)n2)cc1O ZINC001169990625 1081791898 /nfs/dbraw/zinc/79/18/98/1081791898.db2.gz JXENPKXRIUHPMD-UHFFFAOYSA-N 0 0 309.325 3.292 20 10 DGCDRN CCc1cc(NCc2ccc(O)c(O)c2)nc(-c2ccccn2)n1 ZINC001169990529 1081792024 /nfs/dbraw/zinc/79/20/24/1081792024.db2.gz IRICFUWRAOIQOM-UHFFFAOYSA-N 0 0 322.368 3.124 20 10 DGCDRN CCN(CC)C(=O)c1ccc(NCc2ccc(O)c(O)c2)cc1 ZINC001169992629 1081796500 /nfs/dbraw/zinc/79/65/00/1081796500.db2.gz IKUVMBPGHISNQX-UHFFFAOYSA-N 0 0 314.385 3.192 20 10 DGCDRN Oc1ccc(CNc2ncnc3c4ccccc4oc32)cc1O ZINC001169993957 1081810578 /nfs/dbraw/zinc/81/05/78/1081810578.db2.gz VZRSOUSACIQGAH-UHFFFAOYSA-N 0 0 307.309 3.399 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Cc2cc(F)c(C)cc2F)c1 ZINC001167293712 1081913153 /nfs/dbraw/zinc/91/31/53/1081913153.db2.gz OZXPGUNHENXRDY-UHFFFAOYSA-N 0 0 305.324 3.146 20 10 DGCDRN C[C@@H](NC(=O)[C@@H](c1ccccc1)n1cccn1)c1ccccc1O ZINC001648889748 1081954065 /nfs/dbraw/zinc/95/40/65/1081954065.db2.gz JZPJMRDTFBPEQK-RDTXWAMCSA-N 0 0 321.380 3.056 20 10 DGCDRN Cn1c(=O)cnc2ccc(-c3ccc(Cl)nc3Cl)cc21 ZINC001243085449 1082105716 /nfs/dbraw/zinc/10/57/16/1082105716.db2.gz UZNAQBGIVYKLHF-UHFFFAOYSA-N 0 0 306.152 3.302 20 10 DGCDRN CC(C)C[C@H]1CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000588407820 1082162163 /nfs/dbraw/zinc/16/21/63/1082162163.db2.gz ZNJAPRMTMOGTQX-DDJMYBDESA-N 0 0 303.402 3.396 20 10 DGCDRN O=C(CNc1cc(Cl)ncc1Cl)c1ccc(O)c(O)c1 ZINC001170321693 1082345424 /nfs/dbraw/zinc/34/54/24/1082345424.db2.gz CZYPCULZXBARLF-UHFFFAOYSA-N 0 0 313.140 3.094 20 10 DGCDRN O=C(/C=C\c1ccc(Cl)nc1)N1CCc2c1cccc2F ZINC000588463239 1082360442 /nfs/dbraw/zinc/36/04/42/1082360442.db2.gz CSPWYRKXWVWHBC-ALCCZGGFSA-N 0 0 302.736 3.477 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(NCC(=O)NCc2ccco2)cc1 ZINC001170380207 1082363647 /nfs/dbraw/zinc/36/36/47/1082363647.db2.gz HWUMNTXCTSORSL-UHFFFAOYSA-N 0 0 323.396 3.415 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\C1CCCCC1 ZINC000588506448 1082500747 /nfs/dbraw/zinc/50/07/47/1082500747.db2.gz GLLGDACHCYRQKI-KJJQSCHISA-N 0 0 303.402 3.282 20 10 DGCDRN Cc1ncc(/C=C\C(=O)N2C[C@H](C)Oc3c(F)cccc32)s1 ZINC000588513022 1082522423 /nfs/dbraw/zinc/52/24/23/1082522423.db2.gz CINRGTNIEOBDCR-GFVADAIESA-N 0 0 318.373 3.418 20 10 DGCDRN Cc1ncsc1/C=C\C(=O)N1C[C@@H](C)Oc2c(F)cccc21 ZINC000588519929 1082541766 /nfs/dbraw/zinc/54/17/66/1082541766.db2.gz VEXFEFIYSDJMRN-JYESYGNLSA-N 0 0 318.373 3.418 20 10 DGCDRN CC(C)C1(C)CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000588530007 1082566785 /nfs/dbraw/zinc/56/67/85/1082566785.db2.gz DQUFDCJIEYNQJO-ALCCZGGFSA-N 0 0 303.402 3.396 20 10 DGCDRN CN(C)c1ccc(CN2CC3(C2)C[C@H](F)CS3)c(Cl)c1 ZINC001140925688 1083187169 /nfs/dbraw/zinc/18/71/69/1083187169.db2.gz URSVPDIHFPWBLP-LBPRGKRZSA-N 0 0 314.857 3.435 20 10 DGCDRN O=C(Cc1cc2ccccc2o1)N1CCc2cccc(O)c2C1 ZINC001181101066 1083403734 /nfs/dbraw/zinc/40/37/34/1083403734.db2.gz ZQBNPKXBQIEMCG-UHFFFAOYSA-N 0 0 307.349 3.266 20 10 DGCDRN COC(=O)Nc1cccc(C[NH2+]Cc2cc(F)c(F)cc2[O-])c1 ZINC001181654978 1083507701 /nfs/dbraw/zinc/50/77/01/1083507701.db2.gz GNDUYXACBINHOL-UHFFFAOYSA-N 0 0 322.311 3.139 20 10 DGCDRN C[C@@H](NC(=O)CCc1ccc(O)c(O)c1)c1cc(F)cc(F)c1 ZINC001182155718 1083634382 /nfs/dbraw/zinc/63/43/82/1083634382.db2.gz NQVQTOOWMZAXDU-SNVBAGLBSA-N 0 0 321.323 3.186 20 10 DGCDRN CC(C)c1cccc(NC(=O)CCc2ccc(O)c(O)c2)n1 ZINC001182154003 1083634887 /nfs/dbraw/zinc/63/48/87/1083634887.db2.gz SVCIWWSGDSAUEB-UHFFFAOYSA-N 0 0 300.358 3.188 20 10 DGCDRN COc1ccc2c(c1)CCCCN2Cc1cn(C)nc1Cl ZINC001182160775 1083635718 /nfs/dbraw/zinc/63/57/18/1083635718.db2.gz MGNBGLXHMCWOFQ-UHFFFAOYSA-N 0 0 305.809 3.425 20 10 DGCDRN COC(=O)[C@@H](C)c1cccc(NCc2cccc(F)c2O)c1 ZINC001182332620 1083691894 /nfs/dbraw/zinc/69/18/94/1083691894.db2.gz FPAMWRQIJDAPFT-NSHDSACASA-N 0 0 303.333 3.420 20 10 DGCDRN CCCSc1cccc(NC(=O)c2c(F)ccc(O)c2[O-])n1 ZINC001184109286 1084101185 /nfs/dbraw/zinc/10/11/85/1084101185.db2.gz SADMXPGRCKFTID-UHFFFAOYSA-N 0 0 322.361 3.386 20 10 DGCDRN Cc1noc([C@@H](NCc2ccc(N(C)C)cc2C)C(C)C)n1 ZINC001184440741 1084175707 /nfs/dbraw/zinc/17/57/07/1084175707.db2.gz UVBSDNUJMIHTCQ-INIZCTEOSA-N 0 0 302.422 3.239 20 10 DGCDRN COc1ccc(N(C)C[C@H]2COC3(CCCCC3)O2)cc1F ZINC001167880547 1084380159 /nfs/dbraw/zinc/38/01/59/1084380159.db2.gz CIAVXCYXYFPLOZ-AWEZNQCLSA-N 0 0 309.381 3.346 20 10 DGCDRN O=S(=O)(NCc1cc2ccccc2cc1O)c1ccsc1 ZINC001185405961 1084443709 /nfs/dbraw/zinc/44/37/09/1084443709.db2.gz HDPZIOTVFHMBIF-UHFFFAOYSA-N 0 0 319.407 3.085 20 10 DGCDRN COc1cccc(CNC(=O)NCc2c(C)cc(C)cc2O)c1 ZINC001186229002 1084614319 /nfs/dbraw/zinc/61/43/19/1084614319.db2.gz RNHLXOKFNDNEQW-UHFFFAOYSA-N 0 0 314.385 3.017 20 10 DGCDRN CC(C)[C@H]1COCCN1Cc1cc(Br)ccc1O ZINC001203645722 1084701707 /nfs/dbraw/zinc/70/17/07/1084701707.db2.gz NJKBZJSQBPZBEC-CYBMUJFWSA-N 0 0 314.223 3.012 20 10 DGCDRN O=C(C1CC(Oc2ccccc2)C1)N1CCc2cccc(O)c2C1 ZINC001186865614 1084724236 /nfs/dbraw/zinc/72/42/36/1084724236.db2.gz KELWEECJWXCCRJ-UHFFFAOYSA-N 0 0 323.392 3.135 20 10 DGCDRN COC(=O)/C=C/c1ccc(N2CC[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000829048335 1084794292 /nfs/dbraw/zinc/79/42/92/1084794292.db2.gz YIUUQQFNBSAACZ-IYNGYCSASA-N 0 0 304.346 3.016 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2cnc3ccccc3c2)c(O)c1 ZINC001149138496 1085265194 /nfs/dbraw/zinc/26/51/94/1085265194.db2.gz BNIYQGUPULQXBB-UHFFFAOYSA-N 0 0 306.365 3.487 20 10 DGCDRN C/C(=C\c1cccnc1)C(=O)N1C[C@H](C)Oc2c(F)cccc21 ZINC001269475778 1085409571 /nfs/dbraw/zinc/40/95/71/1085409571.db2.gz XHAZAYXQUHQGLU-SRXBQZRASA-N 0 0 312.344 3.438 20 10 DGCDRN C/C(=C\c1cccnc1)C(=O)N1C[C@@H](C)Oc2c(F)cccc21 ZINC001269475776 1085409992 /nfs/dbraw/zinc/40/99/92/1085409992.db2.gz XHAZAYXQUHQGLU-CNELAYHGSA-N 0 0 312.344 3.438 20 10 DGCDRN CC(C)(O)C=CNc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001203217237 1086031926 /nfs/dbraw/zinc/03/19/26/1086031926.db2.gz KMVMWWDMEVXWCC-MDZDMXLPSA-N 0 0 307.349 3.159 20 10 DGCDRN CC(C)Oc1ccc(NCCc2cc(O)c(O)cc2O)cc1 ZINC001168005328 1086146561 /nfs/dbraw/zinc/14/65/61/1086146561.db2.gz FORQQQKGJUFPMD-UHFFFAOYSA-N 0 0 303.358 3.245 20 10 DGCDRN Oc1cc(O)c(CCNc2cc(Cl)cc3oncc32)cc1O ZINC001168015684 1086297340 /nfs/dbraw/zinc/29/73/40/1086297340.db2.gz FJLRGNFFNHCRAL-UHFFFAOYSA-N 0 0 320.732 3.253 20 10 DGCDRN COc1ccc2c(c1)CCCCN2CC[C@@H]1COC(C)(C)O1 ZINC001168245075 1087070935 /nfs/dbraw/zinc/07/09/35/1087070935.db2.gz XWIPGXWJMIGVRA-MRXNPFEDSA-N 0 0 305.418 3.380 20 10 DGCDRN CCOC(=O)c1ccc(OC)c(N(C)c2ccc(N)cc2)c1 ZINC001211981075 1087118983 /nfs/dbraw/zinc/11/89/83/1087118983.db2.gz OFKRIWNFVWLKFT-UHFFFAOYSA-N 0 0 300.358 3.222 20 10 DGCDRN CN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CCC[C@H]1C(C)(C)C ZINC001142514322 1087275189 /nfs/dbraw/zinc/27/51/89/1087275189.db2.gz LJTPNOUKAZHPNW-KGLIPLIRSA-N 0 0 305.418 3.314 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@H]1Cc1ccccn1 ZINC001142525126 1087277601 /nfs/dbraw/zinc/27/76/01/1087277601.db2.gz YNQLDGSKLRPFRH-AWEZNQCLSA-N 0 0 304.340 3.273 20 10 DGCDRN Oc1cc(F)c(F)cc1CN1CC(Oc2ccccc2F)C1 ZINC001142527584 1087277909 /nfs/dbraw/zinc/27/79/09/1087277909.db2.gz ZWNQGGZXFVGOJG-UHFFFAOYSA-N 0 0 309.287 3.073 20 10 DGCDRN Oc1ccc(Cl)cc1CN1CCO[C@@H](CC(F)(F)F)C1 ZINC000698221358 1087547533 /nfs/dbraw/zinc/54/75/33/1087547533.db2.gz LVNCWFWEFWSBIF-NSHDSACASA-N 0 0 309.715 3.199 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1O ZINC001151885722 1087812770 /nfs/dbraw/zinc/81/27/70/1087812770.db2.gz DMWZQRBWHIOBQU-SNVBAGLBSA-N 0 0 312.329 3.046 20 10 DGCDRN COc1cccc2cc(C(=O)N3Cc4cccc(O)c4C3)oc21 ZINC001152564567 1088003721 /nfs/dbraw/zinc/00/37/21/1088003721.db2.gz HMARPXIHNKNDMI-UHFFFAOYSA-N 0 0 309.321 3.303 20 10 DGCDRN Cc1nn(-c2ccccc2)cc1C(=O)N1Cc2cccc(O)c2C1 ZINC001152572435 1088005445 /nfs/dbraw/zinc/00/54/45/1088005445.db2.gz DVVZGPOXGKTJIM-UHFFFAOYSA-N 0 0 319.364 3.042 20 10 DGCDRN O=C(c1ccc(C(F)(F)F)c(O)c1)N1Cc2cccc(O)c2C1 ZINC001152574001 1088006307 /nfs/dbraw/zinc/00/63/07/1088006307.db2.gz OTTTYOBYZLBVNC-UHFFFAOYSA-N 0 0 323.270 3.273 20 10 DGCDRN Cc1ccc(C(=O)Nc2cccc(OC(C)C)c2)c(O)c1O ZINC001158904836 1088094535 /nfs/dbraw/zinc/09/45/35/1088094535.db2.gz TXKKAUOQEXOUBL-UHFFFAOYSA-N 0 0 301.342 3.446 20 10 DGCDRN Cc1csc2nc(C)nc(NCc3ccc(O)c(O)c3)c12 ZINC001158997882 1088124970 /nfs/dbraw/zinc/12/49/70/1088124970.db2.gz SIGKPRBRTXOIIM-UHFFFAOYSA-N 0 0 301.371 3.331 20 10 DGCDRN Oc1ccc(CNc2ccc3nccc(Cl)c3n2)cc1O ZINC001158997690 1088125494 /nfs/dbraw/zinc/12/54/94/1088125494.db2.gz NOUWHDSROCWHLS-UHFFFAOYSA-N 0 0 301.733 3.307 20 10 DGCDRN Oc1ccc(CNc2ccc3cc(Cl)cnc3n2)cc1O ZINC001158995927 1088126491 /nfs/dbraw/zinc/12/64/91/1088126491.db2.gz RURMPQRDHJGEJO-UHFFFAOYSA-N 0 0 301.733 3.307 20 10 DGCDRN CCc1nc(Cl)c(NCc2ccc(O)c(O)c2)c(Cl)n1 ZINC001158997719 1088126817 /nfs/dbraw/zinc/12/68/17/1088126817.db2.gz OGCHNOAIRVOMRC-UHFFFAOYSA-N 0 0 314.172 3.369 20 10 DGCDRN Nc1ccc(Nc2cc(Br)c3nccn3c2)cc1 ZINC001159269135 1088266509 /nfs/dbraw/zinc/26/65/09/1088266509.db2.gz VVKWXJOBESESPU-UHFFFAOYSA-N 0 0 303.163 3.423 20 10 DGCDRN Cc1cc2ccccc2c(NCC(=O)c2ccc(O)c(O)c2)n1 ZINC001159279235 1088269244 /nfs/dbraw/zinc/26/92/44/1088269244.db2.gz NJLAOXZDQBPOMJ-UHFFFAOYSA-N 0 0 308.337 3.249 20 10 DGCDRN CCOC(=O)c1cnn(C(C)(C)C)c1Nc1ccc(N)cc1 ZINC001159365673 1088321164 /nfs/dbraw/zinc/32/11/64/1088321164.db2.gz JQXHPFSFCWZOCS-UHFFFAOYSA-N 0 0 302.378 3.141 20 10 DGCDRN Cc1cc2n[nH]cc2cc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001154214035 1088517470 /nfs/dbraw/zinc/51/74/70/1088517470.db2.gz HPYPWUQHGPVCFF-UHFFFAOYSA-N 0 0 322.328 3.286 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2cc3ccccc3nc2N)c(O)c1 ZINC001154290075 1088551796 /nfs/dbraw/zinc/55/17/96/1088551796.db2.gz WSJSVQAFBWTEIA-UHFFFAOYSA-N 0 0 321.380 3.069 20 10 DGCDRN Nc1ccc(Nc2cccc(S(=O)(=O)C(F)(F)F)c2)cc1 ZINC001160024982 1088606894 /nfs/dbraw/zinc/60/68/94/1088606894.db2.gz ARAJCAZRFAHXRT-UHFFFAOYSA-N 0 0 316.304 3.306 20 10 DGCDRN CCOC(=O)c1cncc(NCc2cc3ccccc3cc2O)n1 ZINC001160206827 1088697282 /nfs/dbraw/zinc/69/72/82/1088697282.db2.gz LVSNYYHKJHNJDV-UHFFFAOYSA-N 0 0 323.352 3.124 20 10 DGCDRN C[C@H](NC(=O)c1cccc(Cl)c1N)c1ccc(N(C)C)cc1 ZINC001154668251 1088700322 /nfs/dbraw/zinc/70/03/22/1088700322.db2.gz DSJDEJMMEOPOSR-NSHDSACASA-N 0 0 317.820 3.479 20 10 DGCDRN CCN(Cc1ccccc1O)c1ncc(C)c(NCC2CC2)n1 ZINC001154881041 1088806893 /nfs/dbraw/zinc/80/68/93/1088806893.db2.gz FQZODWICDJPUGX-UHFFFAOYSA-N 0 0 312.417 3.339 20 10 DGCDRN CCOC(=O)c1cc(C)cnc1N(CC)Cc1ccccc1O ZINC001154888468 1088809606 /nfs/dbraw/zinc/80/96/06/1088809606.db2.gz DPVINYMTZBBUCG-UHFFFAOYSA-N 0 0 314.385 3.299 20 10 DGCDRN CCN(Cc1ccccc1O)c1nnc(Cl)c2cccnc21 ZINC001154888651 1088809763 /nfs/dbraw/zinc/80/97/63/1088809763.db2.gz GGYGRPDPRYQEBB-UHFFFAOYSA-N 0 0 314.776 3.410 20 10 DGCDRN CCN(Cc1ccccc1O)c1nc(Cl)nc2c1CCC2 ZINC001154890416 1088813244 /nfs/dbraw/zinc/81/32/44/1088813244.db2.gz ZJDJSYFQINLDJJ-UHFFFAOYSA-N 0 0 303.793 3.351 20 10 DGCDRN Cc1cccc(CNc2cnc3ccc([N+](=O)[O-])cc3n2)c1O ZINC001160765220 1088947349 /nfs/dbraw/zinc/94/73/49/1088947349.db2.gz XHILNGRJRJPIFZ-UHFFFAOYSA-N 0 0 310.313 3.164 20 10 DGCDRN CSc1nc2ncnc(NCc3cccc(C)c3O)c2s1 ZINC001160769964 1088951367 /nfs/dbraw/zinc/95/13/67/1088951367.db2.gz NUWKZHPDXJVDCC-UHFFFAOYSA-N 0 0 318.427 3.434 20 10 DGCDRN Cc1cc(C)c(CNc2cc(C)nc(-c3ccco3)n2)c(O)c1 ZINC001160811010 1088974429 /nfs/dbraw/zinc/97/44/29/1088974429.db2.gz BQNYOKLQQCQECU-UHFFFAOYSA-N 0 0 309.369 3.401 20 10 DGCDRN COC(=O)c1ccc(C)nc1NCc1c(C)cc(C)cc1O ZINC001160808697 1088974995 /nfs/dbraw/zinc/97/49/95/1088974995.db2.gz YZFSOKGCLXBNSF-UHFFFAOYSA-N 0 0 300.358 3.111 20 10 DGCDRN COC(=O)c1c(C)cc(C)nc1NCc1c(C)cc(C)cc1O ZINC001160810000 1088975157 /nfs/dbraw/zinc/97/51/57/1088975157.db2.gz HKTVBHFETUOOGC-UHFFFAOYSA-N 0 0 314.385 3.420 20 10 DGCDRN O=C(c1ccc2[nH]ccc2c1F)N1CCc2cccc(O)c2C1 ZINC001155416896 1089102664 /nfs/dbraw/zinc/10/26/64/1089102664.db2.gz ZOIXEVQPELGXPZ-UHFFFAOYSA-N 0 0 310.328 3.211 20 10 DGCDRN Cc1ccc(C)c([C@@H](C)NC(=O)c2c(F)ccc(O)c2O)c1 ZINC001161098264 1089115328 /nfs/dbraw/zinc/11/53/28/1089115328.db2.gz IKDONMHIRKPBLX-LLVKDONJSA-N 0 0 303.333 3.345 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2cc3c(s2)CCOC3)c(O)c1 ZINC001155835439 1089264613 /nfs/dbraw/zinc/26/46/13/1089264613.db2.gz CGUBCIGLUNVOFB-UHFFFAOYSA-N 0 0 317.410 3.073 20 10 DGCDRN CCc1cc(Cl)nc(N2CCCc3cc(O)c(O)cc3C2)n1 ZINC001155948017 1089308954 /nfs/dbraw/zinc/30/89/54/1089308954.db2.gz JRYYJFOAHVWCQO-UHFFFAOYSA-N 0 0 319.792 3.056 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1ccc(F)c2occc21 ZINC001156177578 1089421697 /nfs/dbraw/zinc/42/16/97/1089421697.db2.gz KWJHWHWKRSGMKR-UHFFFAOYSA-N 0 0 303.264 3.347 20 10 DGCDRN CCCC(=O)NCCC1=CCN(c2ccnc(C(C)C)n2)CC1 ZINC001089804614 1089526596 /nfs/dbraw/zinc/52/65/96/1089526596.db2.gz PDUBYIFSMGANKM-UHFFFAOYSA-N 0 0 316.449 3.043 20 10 DGCDRN CN(C)c1ccc(CN(C)c2ncnc3cc(F)ccc32)cc1 ZINC001156924275 1089745930 /nfs/dbraw/zinc/74/59/30/1089745930.db2.gz VLCJLGPCRKCUSA-UHFFFAOYSA-N 0 0 310.376 3.471 20 10 DGCDRN CC(C)(C)c1n[nH]cc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001157041504 1089797201 /nfs/dbraw/zinc/79/72/01/1089797201.db2.gz HSNGDPSRGLWAIV-UHFFFAOYSA-N 0 0 323.396 3.496 20 10 DGCDRN CO[C@@H]1CCC[C@H](C(=O)NCc2c(O)ccc3ccccc32)C1 ZINC001157041876 1089797357 /nfs/dbraw/zinc/79/73/57/1089797357.db2.gz QKWMHFPMLASNRO-LSDHHAIUSA-N 0 0 313.397 3.367 20 10 DGCDRN COC(=O)c1cc2ccccc2c(NCc2ccc(N)cc2)n1 ZINC001162787846 1089956536 /nfs/dbraw/zinc/95/65/36/1089956536.db2.gz RXRZWDRFTLTFND-UHFFFAOYSA-N 0 0 307.353 3.216 20 10 DGCDRN Nc1ccc(CNc2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)cc1 ZINC001162787480 1089956699 /nfs/dbraw/zinc/95/66/99/1089956699.db2.gz LNVNQYVPWYWJAM-UHFFFAOYSA-N 0 0 321.340 3.246 20 10 DGCDRN CCc1cc2c(nc(Cl)nc2NCc2ccc(N)cc2)[nH]1 ZINC001162787612 1089957063 /nfs/dbraw/zinc/95/70/63/1089957063.db2.gz OLPIDBIJQFVJLI-UHFFFAOYSA-N 0 0 301.781 3.320 20 10 DGCDRN Cc1nc(C)c(-c2ccc(NCc3ccc(N)cc3)nn2)s1 ZINC001162787666 1089957404 /nfs/dbraw/zinc/95/74/04/1089957404.db2.gz PLGKIRBYPCGAPQ-UHFFFAOYSA-N 0 0 311.414 3.411 20 10 DGCDRN CC[C@@H](C)Oc1cc(N(C)Cc2ccccc2O)nc(C)n1 ZINC001162838425 1089984290 /nfs/dbraw/zinc/98/42/90/1089984290.db2.gz OLXUWHUKRFHZCY-GFCCVEGCSA-N 0 0 301.390 3.304 20 10 DGCDRN C[C@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)CC[C@H]1O ZINC001237078148 1090283375 /nfs/dbraw/zinc/28/33/75/1090283375.db2.gz OLDVRVQBZXJYPI-JOYOIKCWSA-N 0 0 304.217 3.292 20 10 DGCDRN C[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])CCC[C@@]1(C)O ZINC001237617170 1090314566 /nfs/dbraw/zinc/31/45/66/1090314566.db2.gz LYNSIMVTJVXITO-ZUZCIYMTSA-N 0 0 301.789 3.168 20 10 DGCDRN CCOc1cc(NCc2c(O)cccc2F)ccc1[N+](=O)[O-] ZINC001164186081 1090366419 /nfs/dbraw/zinc/36/64/19/1090366419.db2.gz YZLNQAYOTSOUFB-UHFFFAOYSA-N 0 0 306.293 3.450 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1c(F)cccc1[N+](=O)[O-] ZINC001165508498 1090526590 /nfs/dbraw/zinc/52/65/90/1090526590.db2.gz QESXPTDBCGFXSB-UHFFFAOYSA-N 0 0 324.695 3.023 20 10 DGCDRN Cc1ccc(-c2noc(-c3csnn3)n2)c(Br)c1 ZINC001212362047 1090574719 /nfs/dbraw/zinc/57/47/19/1090574719.db2.gz KYTRSTQXKBHXEX-UHFFFAOYSA-N 0 0 323.175 3.326 20 10 DGCDRN CS(=O)(=O)c1ccc(CSc2ncc(Cl)s2)o1 ZINC001166594276 1090625172 /nfs/dbraw/zinc/62/51/72/1090625172.db2.gz DHRYYZDYACKRGG-UHFFFAOYSA-N 0 0 309.821 3.085 20 10 DGCDRN C[C@@H](NC(=O)c1ccnc(C(F)(F)F)c1)c1ccccc1O ZINC001302533066 1090625354 /nfs/dbraw/zinc/62/53/54/1090625354.db2.gz ZOGIVZMKPBLONY-SECBINFHSA-N 0 0 310.275 3.297 20 10 DGCDRN CCCOc1ccc(-c2noc(-c3nnsc3C)n2)cc1 ZINC001212405070 1090626206 /nfs/dbraw/zinc/62/62/06/1090626206.db2.gz GACHDRGRLVJTJV-UHFFFAOYSA-N 0 0 302.359 3.352 20 10 DGCDRN Cc1snnc1-c1nc(-c2ccccc2-c2cnco2)no1 ZINC001212405552 1090626261 /nfs/dbraw/zinc/62/62/61/1090626261.db2.gz VMDUTDHVUIQQPI-UHFFFAOYSA-N 0 0 311.326 3.219 20 10 DGCDRN COc1cc(Cl)ccc1-c1noc(-c2nnsc2C)n1 ZINC001212405479 1090626438 /nfs/dbraw/zinc/62/64/38/1090626438.db2.gz UTYVFTAPKIQWNJ-UHFFFAOYSA-N 0 0 308.750 3.226 20 10 DGCDRN COc1ccc(-c2noc(-c3nnsc3C)n2)cc1Cl ZINC001212404914 1090626584 /nfs/dbraw/zinc/62/65/84/1090626584.db2.gz BGOKJHANMVRSCY-UHFFFAOYSA-N 0 0 308.750 3.226 20 10 DGCDRN COc1cc(Cl)cc(-c2noc(-c3nnsc3C)n2)c1 ZINC001212405582 1090627005 /nfs/dbraw/zinc/62/70/05/1090627005.db2.gz XFTXXCNZYBRYHG-UHFFFAOYSA-N 0 0 308.750 3.226 20 10 DGCDRN COC(=O)c1cc(OCc2csc(C)c2)ccc1N(C)C ZINC001166714341 1090646029 /nfs/dbraw/zinc/64/60/29/1090646029.db2.gz SGVRKDNRPIQTGQ-UHFFFAOYSA-N 0 0 305.399 3.488 20 10 DGCDRN CC1(C)CCC[C@@](O)(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC001203363728 1090726050 /nfs/dbraw/zinc/72/60/50/1090726050.db2.gz VOGCHVPZZRAACG-KRWDZBQOSA-N 0 0 322.405 3.111 20 10 DGCDRN COc1ccc(CN2CCOC[C@H]2c2ccc(F)cc2)c(O)c1 ZINC001203634923 1090769910 /nfs/dbraw/zinc/76/99/10/1090769910.db2.gz BKOZTDPUQODEIC-KRWDZBQOSA-N 0 0 317.360 3.113 20 10 DGCDRN Cc1cc2c(cn1)CN(Cc1cc(Br)ccc1O)C2 ZINC001203646080 1090772820 /nfs/dbraw/zinc/77/28/20/1090772820.db2.gz ZSYPMHXEWIXUCK-UHFFFAOYSA-N 0 0 319.202 3.374 20 10 DGCDRN Oc1ccc(CN2Cc3ccc(Br)cc3C2)cc1O ZINC001203875827 1090825376 /nfs/dbraw/zinc/82/53/76/1090825376.db2.gz WORSLZITTCPSHP-UHFFFAOYSA-N 0 0 320.186 3.376 20 10 DGCDRN COc1ccc(N2CCN(Cc3ccc(F)cc3)CC2)c(C)c1 ZINC001203915360 1090837632 /nfs/dbraw/zinc/83/76/32/1090837632.db2.gz QVXYQUGHFDNBIE-UHFFFAOYSA-N 0 0 314.404 3.465 20 10 DGCDRN COc1cc2c(cc1OC)CN(Cc1ccc(N(C)C)cc1)C2 ZINC001203937343 1090844475 /nfs/dbraw/zinc/84/44/75/1090844475.db2.gz VRRRMJXFOFYBKU-UHFFFAOYSA-N 0 0 312.413 3.286 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1ccc(F)c(F)c1)CCC2 ZINC001204227734 1090928534 /nfs/dbraw/zinc/92/85/34/1090928534.db2.gz JUYASMVKPKHOJQ-UHFFFAOYSA-N 0 0 305.324 3.324 20 10 DGCDRN CN(C)c1ccc(CN2CC[C@@H](O)C(F)(F)C2)c2ccccc21 ZINC001204242429 1090932473 /nfs/dbraw/zinc/93/24/73/1090932473.db2.gz PIYANPHZNSBHTO-QGZVFWFLSA-N 0 0 320.383 3.108 20 10 DGCDRN FC(F)(F)[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001204321145 1090947903 /nfs/dbraw/zinc/94/79/03/1090947903.db2.gz HEQIMCFDEKLTSJ-HNNXBMFYSA-N 0 0 314.351 3.050 20 10 DGCDRN CCCCN(CC(=O)OCC)Cc1ccc(N2CCCC2)cc1 ZINC001204328942 1090950058 /nfs/dbraw/zinc/95/00/58/1090950058.db2.gz UYQXZHJXXIKMEK-UHFFFAOYSA-N 0 0 318.461 3.452 20 10 DGCDRN C[N@H+](Cc1cc(F)c(F)cc1[O-])[C@H](CCO)c1ccccc1 ZINC001204333311 1090950970 /nfs/dbraw/zinc/95/09/70/1090950970.db2.gz BJTFVGZPFZLOSR-MRXNPFEDSA-N 0 0 307.340 3.226 20 10 DGCDRN COc1cc(CN2CCc3ccc(Cl)cc3C2)cc(O)c1O ZINC001204342406 1090952083 /nfs/dbraw/zinc/95/20/83/1090952083.db2.gz LNNIQYZGDTWHLJ-UHFFFAOYSA-N 0 0 319.788 3.318 20 10 DGCDRN Oc1cccc2c1CN(Cc1occc1Br)CC2 ZINC001143127951 1090955696 /nfs/dbraw/zinc/95/56/96/1090955696.db2.gz JMGMGDWDLAOYDW-UHFFFAOYSA-N 0 0 308.175 3.306 20 10 DGCDRN CN(CC[N@H+](C)Cc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC001204865865 1091051151 /nfs/dbraw/zinc/05/11/51/1091051151.db2.gz GQMMNINFPMCAGV-UHFFFAOYSA-N 0 0 306.356 3.239 20 10 DGCDRN C[C@H]1C[N@H+](Cc2c([O-])cccc2F)CCC[C@]1(O)C(F)(F)F ZINC001137831690 1091092035 /nfs/dbraw/zinc/09/20/35/1091092035.db2.gz KBRBYBNKVASDJA-IINYFYTJSA-N 0 0 321.314 3.057 20 10 DGCDRN Cc1c(C[N@@H+]2CCC[C@]3(CCC(=O)O3)C2)c2ccccc2n1C ZINC001138259142 1091127721 /nfs/dbraw/zinc/12/77/21/1091127721.db2.gz CIIWWNVGUNJJKS-IBGZPJMESA-N 0 0 312.413 3.158 20 10 DGCDRN Cc1cccc(C(C)(C)CNC(=O)c2ccc(C)c(O)c2O)c1 ZINC001292334237 1091145064 /nfs/dbraw/zinc/14/50/64/1091145064.db2.gz BOEVDJXCQPYFQE-UHFFFAOYSA-N 0 0 313.397 3.422 20 10 DGCDRN CCN(CC)c1ccc(CN2C[C@@H](F)C[C@H]2CF)c(OC)c1 ZINC001138386023 1091161481 /nfs/dbraw/zinc/16/14/81/1091161481.db2.gz DYSRUPILZRFOBI-HOCLYGCPSA-N 0 0 312.404 3.423 20 10 DGCDRN CCN(CC)c1ccc(CN2CCCC[C@H]2C(C)=O)c(OC)c1 ZINC001138390328 1091164765 /nfs/dbraw/zinc/16/47/65/1091164765.db2.gz RLNBALNMKARKEJ-SFHVURJKSA-N 0 0 318.461 3.485 20 10 DGCDRN CCN(CC)c1ccc(CN2Cc3ccncc3C2)c(OC)c1 ZINC001138390439 1091165594 /nfs/dbraw/zinc/16/55/94/1091165594.db2.gz XALYBOLXUHHEKU-UHFFFAOYSA-N 0 0 311.429 3.452 20 10 DGCDRN COc1ccc(N(C)Cc2cc3c(cn2)OCCO3)cc1Cl ZINC001205354210 1091196415 /nfs/dbraw/zinc/19/64/15/1091196415.db2.gz XDGZKHCUPLKFGF-UHFFFAOYSA-N 0 0 320.776 3.151 20 10 DGCDRN CCOC(=O)[C@@H](CC)N(Cc1cc(C)cc(OC)c1O)C1CC1 ZINC001205453321 1091226444 /nfs/dbraw/zinc/22/64/44/1091226444.db2.gz CEFVKMSHRXUNRX-OAHLLOKOSA-N 0 0 321.417 3.015 20 10 DGCDRN CCOc1ncc(C)cc1NC(=O)N[C@@H](C)c1ccccc1O ZINC001205699244 1091317221 /nfs/dbraw/zinc/31/72/21/1091317221.db2.gz SMSIXTCUKVJSPJ-LBPRGKRZSA-N 0 0 315.373 3.377 20 10 DGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@H]2CCC[C@@H](F)C2)c1[O-] ZINC001118202003 1091356294 /nfs/dbraw/zinc/35/62/94/1091356294.db2.gz NFFPSHDVMHLUOF-MNOVXSKESA-N 0 0 302.733 3.324 20 10 DGCDRN Cc1ncc(-c2ncccc2C(=O)N2CCc3ccccc32)cn1 ZINC001205841068 1091375240 /nfs/dbraw/zinc/37/52/40/1091375240.db2.gz VAFUDZLWPLCVQZ-UHFFFAOYSA-N 0 0 316.364 3.050 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC001139126808 1091457306 /nfs/dbraw/zinc/45/73/06/1091457306.db2.gz QQAIKRUCVDONNY-NSHDSACASA-N 0 0 323.339 3.284 20 10 DGCDRN COc1cc2c(cn1)CCN(Cc1ccc(N(C)C)c(C)c1)C2 ZINC001139673916 1091639785 /nfs/dbraw/zinc/63/97/85/1091639785.db2.gz IUUBWQAGHIMFAG-UHFFFAOYSA-N 0 0 311.429 3.023 20 10 DGCDRN C[N@@H+]1CCN(Cc2c(F)ccc(F)c2[O-])[C@@H](c2ccccc2)C1 ZINC001139685728 1091641787 /nfs/dbraw/zinc/64/17/87/1091641787.db2.gz VCYHCPCURYBQFW-QGZVFWFLSA-N 0 0 318.367 3.159 20 10 DGCDRN [O-]c1c(F)ccc(F)c1C[NH+]1CCC(Oc2cccnc2)CC1 ZINC001139682645 1091641805 /nfs/dbraw/zinc/64/18/05/1091641805.db2.gz ABXNSKONNPOCPK-UHFFFAOYSA-N 0 0 320.339 3.109 20 10 DGCDRN COc1cnccc1CN(C)Cc1ccc(N2CCCC2)cc1 ZINC001206473319 1091642386 /nfs/dbraw/zinc/64/23/86/1091642386.db2.gz IZCLYELJLANMSO-UHFFFAOYSA-N 0 0 311.429 3.322 20 10 DGCDRN CC(C)(O)C[N@H+](Cc1ccccc1)Cc1c([O-])c(F)ccc1F ZINC001139687247 1091642729 /nfs/dbraw/zinc/64/27/29/1091642729.db2.gz JRLHMDDTMLVXKT-UHFFFAOYSA-N 0 0 321.367 3.444 20 10 DGCDRN COc1cccc(C[N@H+](C)Cc2cc(F)ccc2O)c1OC ZINC001140058904 1091751559 /nfs/dbraw/zinc/75/15/59/1091751559.db2.gz NZUWQVRQQOHITQ-UHFFFAOYSA-N 0 0 305.349 3.181 20 10 DGCDRN Oc1ccc(F)cc1CN1CCn2c(-c3ccccc3)cnc2C1 ZINC001140060113 1091753663 /nfs/dbraw/zinc/75/36/63/1091753663.db2.gz LHHZSZWYOCRVMT-UHFFFAOYSA-N 0 0 323.371 3.411 20 10 DGCDRN CC(=O)[C@H]1CCCCN1Cc1c(O)cccc1Br ZINC001140103952 1091768530 /nfs/dbraw/zinc/76/85/30/1091768530.db2.gz VNQNGDRDGZVHDI-CYBMUJFWSA-N 0 0 312.207 3.098 20 10 DGCDRN C[C@H](NC(=O)/C=C/c1ccc(C=O)cc1)c1ccc(N(C)C)cc1 ZINC001296650488 1091776261 /nfs/dbraw/zinc/77/62/61/1091776261.db2.gz VRKCLXRPFVDCFU-NRUITVPNSA-N 0 0 322.408 3.456 20 10 DGCDRN CCN(Cc1ccccc1O)c1nccc(OC(C)(C)C)n1 ZINC001154888338 1091782322 /nfs/dbraw/zinc/78/23/22/1091782322.db2.gz AEEZIHQCMPXUQA-UHFFFAOYSA-N 0 0 301.390 3.386 20 10 DGCDRN Cc1ccc(C)c(CN(Cc2cocn2)Cc2cocn2)c1O ZINC001140183726 1091793363 /nfs/dbraw/zinc/79/33/63/1091793363.db2.gz IFBJMTQANYWQNZ-UHFFFAOYSA-N 0 0 313.357 3.187 20 10 DGCDRN CCOC(=O)C[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001140338097 1091832393 /nfs/dbraw/zinc/83/23/93/1091832393.db2.gz VCFZHAPFKWBGQP-GFCCVEGCSA-N 0 0 311.809 3.211 20 10 DGCDRN Oc1cccc(Cl)c1C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC001140342241 1091834571 /nfs/dbraw/zinc/83/45/71/1091834571.db2.gz ZRCQZGANWQRQFI-ZDUSSCGKSA-N 0 0 304.777 3.094 20 10 DGCDRN FC(F)(Br)CNCc1ccc(N2CCCC2)cc1 ZINC001329493898 1091842963 /nfs/dbraw/zinc/84/29/63/1091842963.db2.gz AAWVCYDVGBEQFA-UHFFFAOYSA-N 0 0 319.193 3.364 20 10 DGCDRN CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1c([O-])cc(F)cc1F ZINC001140585600 1091921185 /nfs/dbraw/zinc/92/11/85/1091921185.db2.gz PDBXBIGSESQBRF-UHFFFAOYSA-N 0 0 321.323 3.421 20 10 DGCDRN Cc1cnccc1O[C@H]1CC[N@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140586033 1091921225 /nfs/dbraw/zinc/92/12/25/1091921225.db2.gz ZTQBOZNOKNUYMY-ZDUSSCGKSA-N 0 0 320.339 3.027 20 10 DGCDRN CCCC[NH+]1CCC(N(C)Cc2c([O-])cc(F)cc2F)CC1 ZINC001140585373 1091921428 /nfs/dbraw/zinc/92/14/28/1091921428.db2.gz HIOMVSASIWPIFK-UHFFFAOYSA-N 0 0 312.404 3.367 20 10 DGCDRN Cc1ccc(O)c(CN2CC[C@H](N3CCCC3)C(F)(F)C2)c1 ZINC001140624082 1091935988 /nfs/dbraw/zinc/93/59/88/1091935988.db2.gz FNKGROWWBVADOQ-INIZCTEOSA-N 0 0 310.388 3.006 20 10 DGCDRN Cc1cc(Br)cc(CN2CCn3cccc3C2)c1O ZINC001207502733 1091994258 /nfs/dbraw/zinc/99/42/58/1091994258.db2.gz ZCRUAZRFJBBRQB-UHFFFAOYSA-N 0 0 321.218 3.280 20 10 DGCDRN Cc1ccc(-c2nn(C)cc2C[NH2+]Cc2c([O-])cccc2F)o1 ZINC001207621006 1092044086 /nfs/dbraw/zinc/04/40/86/1092044086.db2.gz BCEFGYODJNPHPK-UHFFFAOYSA-N 0 0 315.348 3.123 20 10 DGCDRN COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140925782 1092064542 /nfs/dbraw/zinc/06/45/42/1092064542.db2.gz VODYAGDUGFQLND-TZMCWYRMSA-N 0 0 324.852 3.037 20 10 DGCDRN COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140925773 1092065849 /nfs/dbraw/zinc/06/58/49/1092065849.db2.gz VODYAGDUGFQLND-GXTWGEPZSA-N 0 0 324.852 3.037 20 10 DGCDRN COc1cc(O)c(CN2CCc3c(F)cccc3C2)c(OC)c1 ZINC001141029122 1092111595 /nfs/dbraw/zinc/11/15/95/1092111595.db2.gz JKJDMZRQGBMSQD-UHFFFAOYSA-N 0 0 317.360 3.107 20 10 DGCDRN CN1CCOc2cc(CN3CCO[C@H](c4ccccc4)C3)ccc21 ZINC001141142974 1092148726 /nfs/dbraw/zinc/14/87/26/1092148726.db2.gz IOGDZMDPSKQBBQ-FQEVSTJZSA-N 0 0 324.424 3.089 20 10 DGCDRN CN1CCOc2cc(CN3CC(F)(F)C[C@]3(C)CF)ccc21 ZINC001141140743 1092149153 /nfs/dbraw/zinc/14/91/53/1092149153.db2.gz OXNBFDBMBCIDTR-OAHLLOKOSA-N 0 0 314.351 3.084 20 10 DGCDRN Oc1ccc(O)c(CN(Cc2cccnc2)Cc2ccccn2)c1 ZINC001141158932 1092155874 /nfs/dbraw/zinc/15/58/74/1092155874.db2.gz SBVBNCVUZNRGSV-UHFFFAOYSA-N 0 0 321.380 3.090 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(C[C@H]2CCCCO2)C1 ZINC001207957275 1092158438 /nfs/dbraw/zinc/15/84/38/1092158438.db2.gz UMMZVMPFUIKJQG-OAHLLOKOSA-N 0 0 314.429 3.114 20 10 DGCDRN O=C(Nc1ccc2ccccc2n1)N1Cc2cccc(O)c2C1 ZINC001208066003 1092186391 /nfs/dbraw/zinc/18/63/91/1092186391.db2.gz QWAHGMMXBGUEHP-UHFFFAOYSA-N 0 0 305.337 3.488 20 10 DGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)CCn2cccn2)cc1 ZINC001141834981 1092345436 /nfs/dbraw/zinc/34/54/36/1092345436.db2.gz RUIQVYORGHPLLR-UHFFFAOYSA-N 0 0 320.396 3.089 20 10 DGCDRN CC(C)(CNC(=O)c1cccc(O)c1O)c1ccc(Cl)cc1 ZINC001142009651 1092386119 /nfs/dbraw/zinc/38/61/19/1092386119.db2.gz RDRJIMMEMARFGO-UHFFFAOYSA-N 0 0 319.788 3.459 20 10 DGCDRN Cc1ccc(N2CC[NH+](Cc3cc(F)c(F)cc3[O-])CC2)cc1 ZINC001142502733 1092489756 /nfs/dbraw/zinc/48/97/56/1092489756.db2.gz VWLKJXWWYBUOAG-UHFFFAOYSA-N 0 0 318.367 3.301 20 10 DGCDRN Oc1cc(F)c(F)cc1CN1CCOC[C@H]1c1ccc(F)cc1 ZINC001142531430 1092496160 /nfs/dbraw/zinc/49/61/60/1092496160.db2.gz XEXKTDMSWNHTJA-INIZCTEOSA-N 0 0 323.314 3.383 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001142531447 1092496863 /nfs/dbraw/zinc/49/68/63/1092496863.db2.gz XRWDAUHXILWCGB-MRXNPFEDSA-N 0 0 311.372 3.452 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2cc3cccnc3nc2C)c(O)c1 ZINC001149558961 1092709819 /nfs/dbraw/zinc/70/98/19/1092709819.db2.gz LDFBPHQVQNVWAE-UHFFFAOYSA-N 0 0 321.380 3.191 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1c(C)ccc(F)c1N ZINC001149880872 1092738989 /nfs/dbraw/zinc/73/89/89/1092738989.db2.gz XBHHLFXYCYVVIL-UHFFFAOYSA-N 0 0 316.376 3.474 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2ccc(C)[nH]2)C1 ZINC001209574149 1092831424 /nfs/dbraw/zinc/83/14/24/1092831424.db2.gz HRLXQMNLOQEBKG-UHFFFAOYSA-N 0 0 309.413 3.382 20 10 DGCDRN c1ccc(N2CCOCC2)c(Nc2ccc3c(c2)OCCN3)c1 ZINC001209726974 1092892683 /nfs/dbraw/zinc/89/26/83/1092892683.db2.gz GEBDYWJPPSTGBH-UHFFFAOYSA-N 0 0 311.385 3.071 20 10 DGCDRN COC(=O)c1c(F)ccc(F)c1Nc1ccc2c(c1)OCCN2 ZINC001209767479 1092911858 /nfs/dbraw/zinc/91/18/58/1092911858.db2.gz LGWRWDXFVDNSLU-UHFFFAOYSA-N 0 0 320.295 3.299 20 10 DGCDRN CN1c2cc(Nc3ccc4c(c3)OCCN4)ccc2C(C)(C)C1=O ZINC001209789861 1092923068 /nfs/dbraw/zinc/92/30/68/1092923068.db2.gz SNBGTJQRKNMUDK-UHFFFAOYSA-N 0 0 323.396 3.489 20 10 DGCDRN COC(=O)CCc1ccc(Nc2ccc3c(c2)OCCN3)cc1 ZINC001209789574 1092923101 /nfs/dbraw/zinc/92/31/01/1092923101.db2.gz ZURMJGYQTRXJDM-UHFFFAOYSA-N 0 0 312.369 3.340 20 10 DGCDRN COC(=O)/C=C/c1ccc(Nc2ccc3c(c2)OCCN3)cc1 ZINC001209791780 1092925747 /nfs/dbraw/zinc/92/57/47/1092925747.db2.gz FMLNEKJLNDVGOA-RUDMXATFSA-N 0 0 310.353 3.421 20 10 DGCDRN [O-]c1c(Cl)cccc1CN1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001210354946 1093135135 /nfs/dbraw/zinc/13/51/35/1093135135.db2.gz GDQDYVPTQQRUOR-MRXNPFEDSA-N 0 0 316.832 3.062 20 10 DGCDRN Nc1ccc(N(CCO)c2cccc(-c3cccnc3)c2)cc1 ZINC001211143190 1093393263 /nfs/dbraw/zinc/39/32/63/1093393263.db2.gz OWQVTBJXOADRMK-UHFFFAOYSA-N 0 0 305.381 3.461 20 10 DGCDRN Oc1c(CN2CCNCC(F)(F)C2)cccc1-c1ccccc1 ZINC001211347580 1093467127 /nfs/dbraw/zinc/46/71/27/1093467127.db2.gz PYKYYRLBDMRYFE-UHFFFAOYSA-N 0 0 318.367 3.100 20 10 DGCDRN CC1(CS(=O)(=O)N2Cc3cccc(O)c3C2)CCCCC1 ZINC001213481795 1093593894 /nfs/dbraw/zinc/59/38/94/1093593894.db2.gz PUHLFOXDOMVZLQ-UHFFFAOYSA-N 0 0 309.431 3.008 20 10 DGCDRN Oc1cccc(Nc2cc(OC(F)(F)F)ccc2O)c1O ZINC001214381893 1093765370 /nfs/dbraw/zinc/76/53/70/1093765370.db2.gz BXMUIHTVKNPABA-UHFFFAOYSA-N 0 0 301.220 3.446 20 10 DGCDRN Oc1cccc(-c2nc(-c3ccc(OC4CC4)cc3)no2)c1O ZINC001215145982 1093927274 /nfs/dbraw/zinc/92/72/74/1093927274.db2.gz VMIWKNJJDFODDI-UHFFFAOYSA-N 0 0 310.309 3.356 20 10 DGCDRN COc1c(F)cc(F)cc1-c1noc(-c2ccc(O)c(O)c2)n1 ZINC001215304109 1093955022 /nfs/dbraw/zinc/95/50/22/1093955022.db2.gz FDFOZFGCCHREIK-UHFFFAOYSA-N 0 0 320.251 3.102 20 10 DGCDRN Oc1ccc(-c2nc(-c3ccc4cnccc4c3)no2)cc1O ZINC001215304077 1093955343 /nfs/dbraw/zinc/95/53/43/1093955343.db2.gz DGECNRQALHIEEK-UHFFFAOYSA-N 0 0 305.293 3.363 20 10 DGCDRN Cc1ccc(-c2noc(-c3ccc(O)c(O)c3O)n2)c(Cl)c1 ZINC001215325280 1093960520 /nfs/dbraw/zinc/96/05/20/1093960520.db2.gz JWGLCYJKHXHTRK-UHFFFAOYSA-N 0 0 318.716 3.482 20 10 DGCDRN Cc1cccc(-c2noc(-c3ccc(O)c(O)c3O)n2)c1Cl ZINC001215325393 1093960855 /nfs/dbraw/zinc/96/08/55/1093960855.db2.gz QIMYIOVGBCPZST-UHFFFAOYSA-N 0 0 318.716 3.482 20 10 DGCDRN CCOc1c(F)c(F)ccc1N(CCO)c1ccc(N)cc1 ZINC001215415153 1093978795 /nfs/dbraw/zinc/97/87/95/1093978795.db2.gz GNFWLJINJOITQW-UHFFFAOYSA-N 0 0 308.328 3.076 20 10 DGCDRN CN(c1ccc(N)cc1)c1cc(F)ccc1CN1CCOCC1 ZINC001215822580 1094067832 /nfs/dbraw/zinc/06/78/32/1094067832.db2.gz NWIHZJREKTVKHJ-UHFFFAOYSA-N 0 0 315.392 3.008 20 10 DGCDRN Cc1cc(F)cc(C)c1N(c1ccc(N)cc1)S(C)(=O)=O ZINC001215964398 1094096699 /nfs/dbraw/zinc/09/66/99/1094096699.db2.gz XLRIZEQSPAJNBY-UHFFFAOYSA-N 0 0 308.378 3.122 20 10 DGCDRN Cc1conc1NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001216065454 1094116443 /nfs/dbraw/zinc/11/64/43/1094116443.db2.gz HLUXFFWAPCIBAK-UHFFFAOYSA-N 0 0 314.389 3.247 20 10 DGCDRN CC[C@H]1CN(Cc2cc(Br)ccc2O)[C@H](C)CO1 ZINC000403839924 1094187231 /nfs/dbraw/zinc/18/72/31/1094187231.db2.gz SGZROYZOKZFVJK-MFKMUULPSA-N 0 0 314.223 3.154 20 10 DGCDRN CS(=O)(=O)N(c1ccc(N)cc1)c1cc(F)ccc1Cl ZINC001216478658 1094204979 /nfs/dbraw/zinc/20/49/79/1094204979.db2.gz WOGWXYMCIUEUTG-UHFFFAOYSA-N 0 0 314.769 3.159 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCC[C@@H](F)C1 ZINC001119894655 1094304481 /nfs/dbraw/zinc/30/44/81/1094304481.db2.gz LHADQZMTNLEHQH-VXGBXAGGSA-N 0 0 300.370 3.022 20 10 DGCDRN Cc1nnc([C@H]2Cc3ccccc3CN2Cc2ccc(N)cc2)o1 ZINC001120263940 1094397227 /nfs/dbraw/zinc/39/72/27/1094397227.db2.gz WZQIECIQYCEKKP-GOSISDBHSA-N 0 0 320.396 3.260 20 10 DGCDRN CC(C)CO[C@@H](C)c1noc(CN(C)Cc2ccc(N)cc2)n1 ZINC001120263952 1094398357 /nfs/dbraw/zinc/39/83/57/1094398357.db2.gz XQSQZUMGEMQBNA-ZDUSSCGKSA-N 0 0 318.421 3.017 20 10 DGCDRN CN(CCCCc1ccccc1)C(=O)NCc1ccc(N)cc1 ZINC001120592234 1094465423 /nfs/dbraw/zinc/46/54/23/1094465423.db2.gz SVKYCMXFKGQXCY-UHFFFAOYSA-N 0 0 311.429 3.433 20 10 DGCDRN CO[C@@H]1CCC[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC001336439861 1094651481 /nfs/dbraw/zinc/65/14/81/1094651481.db2.gz WRKAQJPDWHUOTA-QZTJIDSGSA-N 0 0 318.461 3.305 20 10 DGCDRN CC[C@@H]1C[C@@H](C)CN1c1nnc(C2SC=CC2=O)n1CC ZINC001121668415 1094739850 /nfs/dbraw/zinc/73/98/50/1094739850.db2.gz AUJLZRJYSDRHGI-GHMZBOCLSA-N 0 0 306.435 3.357 20 10 DGCDRN Nc1ccc(CC(=O)Nc2cc(-c3ccc(F)cc3)no2)cc1 ZINC001218587913 1094837187 /nfs/dbraw/zinc/83/71/87/1094837187.db2.gz IQIQSEBXDSVIHW-UHFFFAOYSA-N 0 0 311.316 3.244 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)NCC2 ZINC001121941134 1094837510 /nfs/dbraw/zinc/83/75/10/1094837510.db2.gz AHXXQEDFVKXNCX-UHFFFAOYSA-N 0 0 310.397 3.413 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CNc2ccccc21 ZINC001121957674 1094844289 /nfs/dbraw/zinc/84/42/89/1094844289.db2.gz ZUKVWJPODWXBBD-KRWDZBQOSA-N 0 0 322.408 3.097 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2nc(C(F)(F)F)co2)c1 ZINC001218645139 1094845374 /nfs/dbraw/zinc/84/53/74/1094845374.db2.gz CQWUITKWKODXSO-UHFFFAOYSA-N 0 0 315.251 3.029 20 10 DGCDRN C[C@H](NC(=O)NCc1cccc(Cl)c1O)c1cccnc1 ZINC001220724171 1095143889 /nfs/dbraw/zinc/14/38/89/1095143889.db2.gz VOTSZXZUXYHVHJ-JTQLQIEISA-N 0 0 305.765 3.001 20 10 DGCDRN Cc1cccn2c(CN3CCCc4cc(O)c(O)cc4C3)cnc12 ZINC001136966201 1095258899 /nfs/dbraw/zinc/25/88/99/1095258899.db2.gz SSEVEIOGCCUMAB-UHFFFAOYSA-N 0 0 323.396 3.002 20 10 DGCDRN CCCC[C@H](NCc1ccc(N2CCCC2)cc1)C(=O)OC ZINC001338340354 1095271991 /nfs/dbraw/zinc/27/19/91/1095271991.db2.gz IWOJYUFKEPLWEB-KRWDZBQOSA-N 0 0 304.434 3.108 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2c(Cl)ccnc2F)cc1 ZINC001123484172 1095316387 /nfs/dbraw/zinc/31/63/87/1095316387.db2.gz MXBXWCTVFNFKPR-UHFFFAOYSA-N 0 0 321.783 3.212 20 10 DGCDRN CC[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2C)[C@H]1C ZINC001221894256 1095382165 /nfs/dbraw/zinc/38/21/65/1095382165.db2.gz PUBFOFWKSCCUOW-LSDHHAIUSA-N 0 0 303.450 3.391 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001221894014 1095382551 /nfs/dbraw/zinc/38/25/51/1095382551.db2.gz LDCSZBKCCZSDKZ-HLLBOEOZSA-N 0 0 315.461 3.296 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccccc2-c2cc[nH]n2)c(O)c1O ZINC001143827841 1095394842 /nfs/dbraw/zinc/39/48/42/1095394842.db2.gz DJMZEYJVHMNWBU-UHFFFAOYSA-N 0 0 309.325 3.049 20 10 DGCDRN CN(C)[C@H]1CCCC[C@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001338928169 1095440007 /nfs/dbraw/zinc/44/00/07/1095440007.db2.gz CCFZCXNOVOOZOM-OLZOCXBDSA-N 0 0 300.805 3.147 20 10 DGCDRN CC[C@@H](C)n1nccc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001338971587 1095453242 /nfs/dbraw/zinc/45/32/42/1095453242.db2.gz UGEIQRIWDJAAES-KGLIPLIRSA-N 0 0 314.433 3.411 20 10 DGCDRN Cc1cccc(F)c1C(=O)NCc1ccc(N(C)C)cc1C ZINC001116240653 1095492148 /nfs/dbraw/zinc/49/21/48/1095492148.db2.gz NGWQZQHWIVYVJT-UHFFFAOYSA-N 0 0 300.377 3.439 20 10 DGCDRN C/C(=C/c1cccnc1)C(=O)N1CCCn2nc(C)c(Cl)c21 ZINC001339112807 1095500925 /nfs/dbraw/zinc/50/09/25/1095500925.db2.gz AOWAYGNRWVNOQX-LUAWRHEFSA-N 0 0 316.792 3.080 20 10 DGCDRN CNc1ccc(NCc2cc(Br)ccc2O)cn1 ZINC001171178188 1095647600 /nfs/dbraw/zinc/64/76/00/1095647600.db2.gz SJOVGCWIWRLCPH-UHFFFAOYSA-N 0 0 308.179 3.204 20 10 DGCDRN Nc1ccc(F)c(NCc2cc(Br)ccc2O)c1 ZINC001171178371 1095649530 /nfs/dbraw/zinc/64/95/30/1095649530.db2.gz XRYMMZMREYYEMJ-UHFFFAOYSA-N 0 0 311.154 3.488 20 10 DGCDRN CCOC(=O)[C@H](NCc1ccc(N(CC)CC)c(F)c1)C1CC1 ZINC001116755942 1095651187 /nfs/dbraw/zinc/65/11/87/1095651187.db2.gz XXXJGPXXCWRPHD-QGZVFWFLSA-N 0 0 322.424 3.103 20 10 DGCDRN O=C(N[C@@H]1C[C@H]1C1CCCCC1)N1Cc2cccc(O)c2C1 ZINC001222567603 1095670793 /nfs/dbraw/zinc/67/07/93/1095670793.db2.gz KGIMGNJACDUSIZ-GOEBONIOSA-N 0 0 300.402 3.386 20 10 DGCDRN COc1cc(C(=O)Nc2c3nonc3ccc2Cl)ccc1C ZINC001116850394 1095678646 /nfs/dbraw/zinc/67/86/46/1095678646.db2.gz LOACIDZNCWTHSF-UHFFFAOYSA-N 0 0 317.732 3.446 20 10 DGCDRN Oc1cccc(F)c1CN1CCc2nn(-c3ccccc3)cc2C1 ZINC001137840330 1095758353 /nfs/dbraw/zinc/75/83/53/1095758353.db2.gz XSCQZMUSHHTZJM-UHFFFAOYSA-N 0 0 323.371 3.275 20 10 DGCDRN Oc1cccc(F)c1CN1CCn2c(-c3ccccc3)cnc2C1 ZINC001137839566 1095761017 /nfs/dbraw/zinc/76/10/17/1095761017.db2.gz DMBMZJDJGZMJQT-UHFFFAOYSA-N 0 0 323.371 3.411 20 10 DGCDRN Cc1cc(C)c(CNC(=O)[C@H](O)c2cccc(Cl)c2)c(O)c1 ZINC001144835719 1095844476 /nfs/dbraw/zinc/84/44/76/1095844476.db2.gz UUNSDSVDZFDFFK-MRXNPFEDSA-N 0 0 319.788 3.012 20 10 DGCDRN COc1ccc2c(c1)C[N@@H+](Cc1cccc(F)c1[O-])CCC2 ZINC001138130512 1095898457 /nfs/dbraw/zinc/89/84/57/1095898457.db2.gz BLDYSUUKJKEHJS-UHFFFAOYSA-N 0 0 301.361 3.488 20 10 DGCDRN C[C@@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1ccc(Cl)cc1[O-] ZINC001118027234 1095924677 /nfs/dbraw/zinc/92/46/77/1095924677.db2.gz VPPKZFKUQRDIFK-QWHCGFSZSA-N 0 0 324.852 3.345 20 10 DGCDRN O=C(CCNc1ccccc1)NCc1cc(Cl)ccc1O ZINC001146230915 1096007226 /nfs/dbraw/zinc/00/72/26/1096007226.db2.gz AGEZBWHJZPSBDZ-UHFFFAOYSA-N 0 0 304.777 3.164 20 10 DGCDRN CC[C@@](C)(NC(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1 ZINC001118593579 1096044039 /nfs/dbraw/zinc/04/40/39/1096044039.db2.gz SWZLAKXNKSMSLO-QGZVFWFLSA-N 0 0 307.413 3.270 20 10 DGCDRN COc1ccc2c(c1)CC[C@@H]2C(=O)NCc1ccc(N(C)C)cc1 ZINC001118804192 1096081434 /nfs/dbraw/zinc/08/14/34/1096081434.db2.gz BDUBZJGGFBPQFG-IBGZPJMESA-N 0 0 324.424 3.107 20 10 DGCDRN CN(CCNC(=S)Nc1cccc(F)c1F)c1ccccc1 ZINC001341037451 1096101980 /nfs/dbraw/zinc/10/19/80/1096101980.db2.gz BERLZJPSJKAEHT-UHFFFAOYSA-N 0 0 321.396 3.388 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NC2(C)CC2)ccc1C ZINC001146798631 1096115185 /nfs/dbraw/zinc/11/51/85/1096115185.db2.gz BYRDVTIGINVELB-UHFFFAOYSA-N 0 0 310.397 3.497 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NCC2=CCCC2)cc1 ZINC001224055016 1096124740 /nfs/dbraw/zinc/12/47/40/1096124740.db2.gz IUFDHQBBZQMTJX-UHFFFAOYSA-N 0 0 301.434 3.442 20 10 DGCDRN Cc1ccsc1C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001147112996 1096172473 /nfs/dbraw/zinc/17/24/73/1096172473.db2.gz KMDJPIBJIQYWPI-UHFFFAOYSA-N 0 0 303.383 3.056 20 10 DGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc[nH]c2=O)cc1 ZINC001147185329 1096184951 /nfs/dbraw/zinc/18/49/51/1096184951.db2.gz XLDBEOCFJYNFTB-UHFFFAOYSA-N 0 0 319.364 3.216 20 10 DGCDRN C[S@](=O)(=NC(=O)/C=C\c1ccc(O)c(O)c1)C1CCCCC1 ZINC001119632014 1096237885 /nfs/dbraw/zinc/23/78/85/1096237885.db2.gz KLEWCCRWZIDQBB-XGEAVTJYSA-N 0 0 323.414 3.068 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Cc2ccc(F)c(Cl)c2)c1 ZINC001147961343 1096296898 /nfs/dbraw/zinc/29/68/98/1096296898.db2.gz CRFFSZXQHJUCQO-UHFFFAOYSA-N 0 0 307.752 3.352 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cc3ccccc3nc2C)c1 ZINC001147957748 1096297340 /nfs/dbraw/zinc/29/73/40/1096297340.db2.gz VROWQXXVSRFXRR-UHFFFAOYSA-N 0 0 306.365 3.487 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cnc(-c3ccccc3)nc2)c1 ZINC001147956259 1096297457 /nfs/dbraw/zinc/29/74/57/1096297457.db2.gz BFRMWLWWZFDXLU-UHFFFAOYSA-N 0 0 319.364 3.088 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Cc2ccccc2OC(F)F)c1 ZINC001147957693 1096297464 /nfs/dbraw/zinc/29/74/64/1096297464.db2.gz VCNGUJYIAQZNEP-UHFFFAOYSA-N 0 0 321.323 3.161 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CCOc3c(F)cccc32)c1 ZINC001147962510 1096297580 /nfs/dbraw/zinc/29/75/80/1096297580.db2.gz WXNRRLPTRBAPGO-CQSZACIVSA-N 0 0 315.344 3.022 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccnc(-c3ccccc3)n2)c1 ZINC001147961655 1096297761 /nfs/dbraw/zinc/29/77/61/1096297761.db2.gz GVCWOFLDNDRCMC-UHFFFAOYSA-N 0 0 319.364 3.088 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cc(-c3ccccc3)n[nH]2)c1 ZINC001147957157 1096297800 /nfs/dbraw/zinc/29/78/00/1096297800.db2.gz NUGFJWSMXUSHKX-UHFFFAOYSA-N 0 0 307.353 3.021 20 10 DGCDRN O=C(Nc1cc(Cl)cc2[nH]ccc21)c1cccc(O)c1O ZINC001148218401 1096327366 /nfs/dbraw/zinc/32/73/66/1096327366.db2.gz AOCALHSZTCAZRW-UHFFFAOYSA-N 0 0 302.717 3.485 20 10 DGCDRN CCN(Cc1cccc(F)c1F)C(=O)c1cccc(O)c1O ZINC001148218414 1096327663 /nfs/dbraw/zinc/32/76/63/1096327663.db2.gz BSVSMMRWQIKARY-UHFFFAOYSA-N 0 0 307.296 3.038 20 10 DGCDRN Cc1cc(NC(=O)c2cccc(O)c2O)cc2scnc21 ZINC001148219392 1096327993 /nfs/dbraw/zinc/32/79/93/1096327993.db2.gz XJQVXIALLRSRHK-UHFFFAOYSA-N 0 0 300.339 3.268 20 10 DGCDRN COc1ccc(N2CC3(C2)CC[N@H+](Cc2ccc[nH]2)C3)c(C)c1 ZINC001277018544 1096349006 /nfs/dbraw/zinc/34/90/06/1096349006.db2.gz MCULIECOKYDPPU-UHFFFAOYSA-N 0 0 311.429 3.044 20 10 DGCDRN C[C@H]1CC[C@@H](CNC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC001225138376 1096352466 /nfs/dbraw/zinc/35/24/66/1096352466.db2.gz HFPDONBGTLCUDJ-LSDHHAIUSA-N 0 0 315.461 3.304 20 10 DGCDRN CCc1cccc(CC)c1NC(=O)c1cc(O)c(O)c(O)c1 ZINC001148585929 1096406911 /nfs/dbraw/zinc/40/69/11/1096406911.db2.gz FFZJMPYOYRBXAY-UHFFFAOYSA-N 0 0 301.342 3.181 20 10 DGCDRN CC[C@H](C)C1CCC(NC(=O)c2cc(O)c(O)c(O)c2)CC1 ZINC001148590312 1096408523 /nfs/dbraw/zinc/40/85/23/1096408523.db2.gz HJUNBFDIQJNZGM-ZBOXLXRLSA-N 0 0 307.390 3.138 20 10 DGCDRN Oc1cc2ccccc2cc1CNc1cnc2ncccc2n1 ZINC001171399421 1096659803 /nfs/dbraw/zinc/65/98/03/1096659803.db2.gz FPUPSZXQSSOGGW-UHFFFAOYSA-N 0 0 302.337 3.496 20 10 DGCDRN CN(C)C(=O)c1ccc(NCc2cc3ccccc3cc2O)cn1 ZINC001171407166 1096678765 /nfs/dbraw/zinc/67/87/65/1096678765.db2.gz LXJQKYURVLXINM-UHFFFAOYSA-N 0 0 321.380 3.254 20 10 DGCDRN O=C1COc2cccc(NCc3cc4ccccc4cc3O)c2N1 ZINC001171408007 1096679875 /nfs/dbraw/zinc/67/98/75/1096679875.db2.gz ZJSYOKOGPXZXPW-UHFFFAOYSA-N 0 0 320.348 3.488 20 10 DGCDRN C[S@@](=O)c1ccc(NCc2cc3ccccc3cc2O)nc1 ZINC001171407729 1096679928 /nfs/dbraw/zinc/67/99/28/1096679928.db2.gz VVYRXAQTSJRVAA-JOCHJYFZSA-N 0 0 312.394 3.290 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)N[C@H]1C[C@@H]1c1ccccc1 ZINC001227470002 1096937904 /nfs/dbraw/zinc/93/79/04/1096937904.db2.gz FYAXKJNHFKLTMG-CABCVRRESA-N 0 0 316.788 3.401 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)c2ccccc2O)ccc1[N+](=O)[O-] ZINC001171717377 1096953431 /nfs/dbraw/zinc/95/34/31/1096953431.db2.gz QSOPVKAWMAVZBM-LLVKDONJSA-N 0 0 300.314 3.100 20 10 DGCDRN C[C@H](NC(=O)c1ccc(N(C)C)cc1F)c1ccccc1O ZINC001171730935 1096957027 /nfs/dbraw/zinc/95/70/27/1096957027.db2.gz SJJFFAPBMBEIKK-NSHDSACASA-N 0 0 302.349 3.088 20 10 DGCDRN CCON(CC)C(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC001171930221 1097011254 /nfs/dbraw/zinc/01/12/54/1097011254.db2.gz HJBXCIHFYYBDFY-UHFFFAOYSA-N 0 0 314.385 3.320 20 10 DGCDRN CCOC(=O)C(F)(F)[C@H](CC)Oc1ccc(N(C)C)cc1 ZINC001227939077 1097017605 /nfs/dbraw/zinc/01/76/05/1097017605.db2.gz KUSUKLHDGHILEK-ZDUSSCGKSA-N 0 0 301.333 3.108 20 10 DGCDRN COc1cccc(-c2noc(-c3nnsc3C3CC3)n2)c1 ZINC001212679717 1097228097 /nfs/dbraw/zinc/22/80/97/1097228097.db2.gz QLDCXVZWTHLZIQ-UHFFFAOYSA-N 0 0 300.343 3.141 20 10 DGCDRN COCc1cccc(-c2noc(-c3nnsc3C3CC3)n2)c1 ZINC001212680443 1097230959 /nfs/dbraw/zinc/23/09/59/1097230959.db2.gz FJRXCHDUPWHFEX-UHFFFAOYSA-N 0 0 314.370 3.279 20 10 DGCDRN Cc1cc(-c2noc(-c3nnsc3C(C)C)n2)cc(C)n1 ZINC001212687232 1097259533 /nfs/dbraw/zinc/25/95/33/1097259533.db2.gz IQJMXLXOSLNUKX-UHFFFAOYSA-N 0 0 301.375 3.390 20 10 DGCDRN COc1nccc(C)c1-c1noc(-c2nnsc2C(C)C)n1 ZINC001212687141 1097259658 /nfs/dbraw/zinc/25/96/58/1097259658.db2.gz DLTOSZZMAMIKIG-UHFFFAOYSA-N 0 0 317.374 3.091 20 10 DGCDRN C[C@H](Oc1cc(O)c(O)c2c1C(=O)c1ccccc1C2=O)C1CC1 ZINC001229197296 1097275367 /nfs/dbraw/zinc/27/53/67/1097275367.db2.gz NJSDJVCCNCPSKC-VIFPVBQESA-N 0 0 324.332 3.051 20 10 DGCDRN CN(C)c1ccc(/N=N/c2ccccn2)c(OC2CN(C)C2)c1 ZINC001231328945 1097722651 /nfs/dbraw/zinc/72/26/51/1097722651.db2.gz JNRGGEIEIKGKCI-FMQUCBEESA-N 0 0 311.389 3.256 20 10 DGCDRN O=C([O-])c1ccc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c(O)c1 ZINC001231455879 1097752951 /nfs/dbraw/zinc/75/29/51/1097752951.db2.gz WATUEOBGYWCCBE-AWEZNQCLSA-N 0 0 315.344 3.219 20 10 DGCDRN O=C([O-])c1ccc(C[N@@H+]2CCSc3ccccc3C2)c(O)c1 ZINC001231453829 1097753204 /nfs/dbraw/zinc/75/32/04/1097753204.db2.gz KWALVEUGSVVJKV-UHFFFAOYSA-N 0 0 315.394 3.198 20 10 DGCDRN COc1cc(CN2CCc3cccc(Cl)c3C2)c(O)cc1O ZINC001231639558 1097798146 /nfs/dbraw/zinc/79/81/46/1097798146.db2.gz UDDPJGXBFVERCI-UHFFFAOYSA-N 0 0 319.788 3.318 20 10 DGCDRN Cc1cc(C)c(CN2CC(N(C)C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001231842997 1097860030 /nfs/dbraw/zinc/86/00/30/1097860030.db2.gz ROTKRQVNDXFYKW-UHFFFAOYSA-N 0 0 320.433 3.060 20 10 DGCDRN Cc1cc(C)c(CN2CCc3nc(Cl)ncc3C2)c(O)c1 ZINC001231847334 1097862622 /nfs/dbraw/zinc/86/26/22/1097862622.db2.gz WVLKCXXFQKEAAQ-UHFFFAOYSA-N 0 0 303.793 3.011 20 10 DGCDRN Cc1cc(O)c(CN2CCO[C@@H](c3ccncc3)C2)cc1Cl ZINC001231869953 1097869397 /nfs/dbraw/zinc/86/93/97/1097869397.db2.gz BVQNDPNBBKNLPA-QGZVFWFLSA-N 0 0 318.804 3.323 20 10 DGCDRN C[C@]1(CO)CC(F)(F)CN1Cc1ccc2ccccc2c1O ZINC001231879487 1097877819 /nfs/dbraw/zinc/87/78/19/1097877819.db2.gz FFKDQZQWTMKRJL-MRXNPFEDSA-N 0 0 307.340 3.137 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C[C@@]1(O)C(F)(F)F ZINC001231909950 1097888484 /nfs/dbraw/zinc/88/84/84/1097888484.db2.gz UIRXCYTWCUDICZ-RNCFNFMXSA-N 0 0 323.742 3.181 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH+]1CC2(C1)CC(F)(F)CS2 ZINC001231912681 1097890572 /nfs/dbraw/zinc/89/05/72/1097890572.db2.gz RYBCPXOOUIRLMH-UHFFFAOYSA-N 0 0 305.777 3.372 20 10 DGCDRN Cc1cc(N(CCO)c2ccc(N)cc2)ccc1OC(C)C ZINC001175192887 1097962910 /nfs/dbraw/zinc/96/29/10/1097962910.db2.gz WKNABECGSGBEOG-UHFFFAOYSA-N 0 0 300.402 3.495 20 10 DGCDRN CCOc1ccc(N(c2ccc(N)cc2)S(C)(=O)=O)cc1C ZINC001175170477 1097967836 /nfs/dbraw/zinc/96/78/36/1097967836.db2.gz HYCXYPUENNJWPR-UHFFFAOYSA-N 0 0 320.414 3.074 20 10 DGCDRN Oc1cc(O)c(CN2CC3(C2)CC(F)(F)CS3)cc1Cl ZINC001232262792 1097984850 /nfs/dbraw/zinc/98/48/50/1097984850.db2.gz QGONGFVUBYCKTH-UHFFFAOYSA-N 0 0 321.776 3.078 20 10 DGCDRN COc1cc(O)c(CN2CC(Oc3ccccc3)C2)cc1Cl ZINC001232264216 1097987373 /nfs/dbraw/zinc/98/73/73/1097987373.db2.gz GEMZJGSALYGEEB-UHFFFAOYSA-N 0 0 319.788 3.317 20 10 DGCDRN COc1cc(O)c(CN2CCc3ncccc3C2)cc1Cl ZINC001232270220 1097988145 /nfs/dbraw/zinc/98/81/45/1097988145.db2.gz YTVXSQPSRNXQPK-UHFFFAOYSA-N 0 0 304.777 3.008 20 10 DGCDRN COc1ccc(N2CC[NH+](Cc3cc(C)cc(O)c3)CC2)cc1 ZINC001232880750 1098160751 /nfs/dbraw/zinc/16/07/51/1098160751.db2.gz RWHAWYZXFYSJNY-UHFFFAOYSA-N 0 0 312.413 3.031 20 10 DGCDRN CN(C)c1ccc(CN(C)Cc2ccc(F)c(O)c2F)cc1 ZINC001232939723 1098177301 /nfs/dbraw/zinc/17/73/01/1098177301.db2.gz LAJMCMADWSNQHC-UHFFFAOYSA-N 0 0 306.356 3.368 20 10 DGCDRN Oc1cc(CN2CCC[C@@H]2c2cc(F)ccc2F)cc(O)c1O ZINC001233012005 1098203909 /nfs/dbraw/zinc/20/39/09/1098203909.db2.gz GNJHDUJYYCUJNS-CQSZACIVSA-N 0 0 321.323 3.419 20 10 DGCDRN Oc1cc(CN2CCC[C@@H]2c2ccccc2F)cc(O)c1O ZINC001233013384 1098204436 /nfs/dbraw/zinc/20/44/36/1098204436.db2.gz QAHABYKECYBKIX-CQSZACIVSA-N 0 0 303.333 3.280 20 10 DGCDRN CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(F)c(F)c1[O-])C2 ZINC001233073875 1098219165 /nfs/dbraw/zinc/21/91/65/1098219165.db2.gz DRBAPBABWXJJLZ-DYVFJYSZSA-N 0 0 311.372 3.309 20 10 DGCDRN [O-]c1c(C[NH+]2CCC(Oc3ccccn3)CC2)ccc(F)c1F ZINC001233077347 1098219772 /nfs/dbraw/zinc/21/97/72/1098219772.db2.gz KJCNNYAWTQRPDY-UHFFFAOYSA-N 0 0 320.339 3.109 20 10 DGCDRN Cc1cc(Br)cc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c1O ZINC001233109518 1098228079 /nfs/dbraw/zinc/22/80/79/1098228079.db2.gz ZXQWIEWYJICXCG-TVYUQYBPSA-N 0 0 314.198 3.253 20 10 DGCDRN COc1cc(O)c(CN2CCC(F)(F)C2)cc1Br ZINC001233134983 1098234983 /nfs/dbraw/zinc/23/49/83/1098234983.db2.gz ITBWXEZZXVNSJH-UHFFFAOYSA-N 0 0 322.149 3.004 20 10 DGCDRN CCOC(=O)c1c(CN2CCC[C@@H](F)C2)c2ccccc2n1C ZINC001233272761 1098270329 /nfs/dbraw/zinc/27/03/29/1098270329.db2.gz ZPAARRVJESVEKT-CYBMUJFWSA-N 0 0 318.392 3.289 20 10 DGCDRN CCOC(=O)c1c(CN2C[C@@H](F)C[C@H]2C)c2ccccc2n1C ZINC001233270652 1098270470 /nfs/dbraw/zinc/27/04/70/1098270470.db2.gz VLRFFQFRPIGCTL-OLZOCXBDSA-N 0 0 318.392 3.287 20 10 DGCDRN Cc1csc(CCC(=O)N2CCc3cccc(O)c3C2)c1 ZINC001176181664 1098272243 /nfs/dbraw/zinc/27/22/43/1098272243.db2.gz IVLLANKJARAEJB-UHFFFAOYSA-N 0 0 301.411 3.280 20 10 DGCDRN CN(Cc1nc2ccccc2o1)Cc1c(O)ccc(F)c1F ZINC001233334985 1098291258 /nfs/dbraw/zinc/29/12/58/1098291258.db2.gz CGWWAMGUIMQVNS-UHFFFAOYSA-N 0 0 304.296 3.444 20 10 DGCDRN O=C1CCC2(CC1)CC[NH+](Cc1c([O-])ccc(F)c1F)CC2 ZINC001233335546 1098291401 /nfs/dbraw/zinc/29/14/01/1098291401.db2.gz AHBCZFBDIJAAPR-UHFFFAOYSA-N 0 0 309.356 3.396 20 10 DGCDRN COc1ccc(CN(C)Cc2ccccc2O)c(Cl)c1O ZINC001233401057 1098316287 /nfs/dbraw/zinc/31/62/87/1098316287.db2.gz KETCMFYDYSWOGL-UHFFFAOYSA-N 0 0 307.777 3.392 20 10 DGCDRN C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2O)CCCC1=O ZINC001233415738 1098322996 /nfs/dbraw/zinc/32/29/96/1098322996.db2.gz HFBZOJPISOVMSK-SNVBAGLBSA-N 0 0 301.308 3.212 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC[C@@]3(CCCO3)C2)cccc1C(F)(F)F ZINC001233416667 1098323662 /nfs/dbraw/zinc/32/36/62/1098323662.db2.gz QYZGEEJDKCBILY-AWEZNQCLSA-N 0 0 301.308 3.166 20 10 DGCDRN Oc1c(CN2CCc3ncsc3C2)cccc1C(F)(F)F ZINC001233418546 1098324686 /nfs/dbraw/zinc/32/46/86/1098324686.db2.gz LRJRGBFOBYDIMV-UHFFFAOYSA-N 0 0 314.332 3.426 20 10 DGCDRN [O-]c1c(C[NH+]2CC3(C2)CCOCC3)cccc1C(F)(F)F ZINC001233418253 1098325955 /nfs/dbraw/zinc/32/59/55/1098325955.db2.gz YYRQRXPOYLSRNR-UHFFFAOYSA-N 0 0 301.308 3.023 20 10 DGCDRN CO[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233418565 1098326214 /nfs/dbraw/zinc/32/62/14/1098326214.db2.gz LZMDYBWSCMSKOW-LBPRGKRZSA-N 0 0 303.324 3.412 20 10 DGCDRN COc1cc(C[N@H+](C)Cc2ccccc2O)ccc1-n1ccnc1 ZINC001234076376 1098491308 /nfs/dbraw/zinc/49/13/08/1098491308.db2.gz VOYREHKEPOSZGN-UHFFFAOYSA-N 0 0 323.396 3.219 20 10 DGCDRN Cn1cccc1CC(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001177319762 1098516208 /nfs/dbraw/zinc/51/62/08/1098516208.db2.gz DBBFDRBUCYZJLG-UHFFFAOYSA-N 0 0 319.408 3.383 20 10 DGCDRN Cc1cccc(C)c1OCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001177411781 1098529859 /nfs/dbraw/zinc/52/98/59/1098529859.db2.gz RULQQJHVXNXYHC-UHFFFAOYSA-N 0 0 307.340 3.456 20 10 DGCDRN C[C@H](NC(=O)NCc1c(O)cccc1F)[C@]12C[C@H]1CCCC2 ZINC001234447719 1098556614 /nfs/dbraw/zinc/55/66/14/1098556614.db2.gz SEJHRCQTHDCKCD-JKDFXYPNSA-N 0 0 306.381 3.299 20 10 DGCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)Cc1ccc[nH]1 ZINC001177864769 1098634912 /nfs/dbraw/zinc/63/49/12/1098634912.db2.gz JZLRIRLIFCGTDJ-XSRZAUOLSA-N 0 0 320.356 3.176 20 10 DGCDRN CN(Cc1cccc(-c2ccccc2)c1O)Cc1ncccn1 ZINC001234992792 1098735357 /nfs/dbraw/zinc/73/53/57/1098735357.db2.gz RPAMXQUTNHFELE-UHFFFAOYSA-N 0 0 305.381 3.481 20 10 DGCDRN Cn1ncc2c1CN(Cc1cccc(-c3ccccc3)c1O)C2 ZINC001234996690 1098741445 /nfs/dbraw/zinc/74/14/45/1098741445.db2.gz MMCXAKXIZFZZMK-UHFFFAOYSA-N 0 0 305.381 3.309 20 10 DGCDRN O=C(CCc1c[nH]c2ccccc12)NCc1c(O)cccc1F ZINC001178410079 1098825539 /nfs/dbraw/zinc/82/55/39/1098825539.db2.gz LIDWRUYTIOXDCN-UHFFFAOYSA-N 0 0 312.344 3.262 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1c(F)cncc1F ZINC001178688953 1098909004 /nfs/dbraw/zinc/90/90/04/1098909004.db2.gz PJCPIWCUDVZIDR-SSDOTTSWSA-N 0 0 300.255 3.194 20 10 DGCDRN C[C@]1(CF)CC[N@H+](Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235299484 1098949237 /nfs/dbraw/zinc/94/92/37/1098949237.db2.gz VHCZCBLERGDPFR-CYBMUJFWSA-N 0 0 320.177 3.475 20 10 DGCDRN [O-]c1c(Br)cc(F)cc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001235303075 1098951309 /nfs/dbraw/zinc/95/13/09/1098951309.db2.gz ZWLIZEGBRMNKNP-VIRWGQHYSA-N 0 0 318.161 3.226 20 10 DGCDRN CCCCNc1ccccc1C(=O)NCc1c(O)cccc1O ZINC001178910921 1098969524 /nfs/dbraw/zinc/96/95/24/1098969524.db2.gz IZSSOFHEIGJMDZ-UHFFFAOYSA-N 0 0 314.385 3.240 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1n[nH]c2c1CCCC2 ZINC001179030070 1099005106 /nfs/dbraw/zinc/00/51/06/1099005106.db2.gz YVVLHUYILIBZOL-UHFFFAOYSA-N 0 0 321.380 3.077 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cccc2c[nH]nc21 ZINC001179029215 1099005364 /nfs/dbraw/zinc/00/53/64/1099005364.db2.gz LTCGBFQXRWHJFN-UHFFFAOYSA-N 0 0 317.348 3.352 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cnn(C(F)F)c1 ZINC001179033277 1099006259 /nfs/dbraw/zinc/00/62/59/1099006259.db2.gz VBPFZFLCGCTODX-UHFFFAOYSA-N 0 0 317.295 3.067 20 10 DGCDRN Oc1c(F)cc(F)cc1CNc1ccn(-c2ccccc2)n1 ZINC001179222973 1099039890 /nfs/dbraw/zinc/03/98/90/1099039890.db2.gz XZCIXPMKNBXROX-UHFFFAOYSA-N 0 0 301.296 3.468 20 10 DGCDRN CC[N@H+](CCn1cccn1)Cc1ccc(C(C)(C)C)cc1O ZINC001235677582 1099120487 /nfs/dbraw/zinc/12/04/87/1099120487.db2.gz FOPHMJUXIDEDHC-UHFFFAOYSA-N 0 0 301.434 3.408 20 10 DGCDRN Cc1cc2c(cccc2NC(=O)/C=C/c2ccc(O)c(O)c2)nn1 ZINC001179686916 1099163794 /nfs/dbraw/zinc/16/37/94/1099163794.db2.gz FSZKLPGRKLWJNV-SOFGYWHQSA-N 0 0 321.336 3.001 20 10 DGCDRN Oc1ccccc1C[N@@H+]1CCN[C@H](c2ccc(Cl)cc2)C1 ZINC001235787936 1099178659 /nfs/dbraw/zinc/17/86/59/1099178659.db2.gz HIRWICWXWMTZGQ-INIZCTEOSA-N 0 0 302.805 3.192 20 10 DGCDRN [O-]c1c(Cl)cc(F)cc1CN1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001235864697 1099225740 /nfs/dbraw/zinc/22/57/40/1099225740.db2.gz UNFBQKWOAJGXLH-MRXNPFEDSA-N 0 0 320.795 3.331 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)NCc2cncn2C2CCC2)cc1 ZINC001180130686 1099309090 /nfs/dbraw/zinc/30/90/90/1099309090.db2.gz WBJSTBCHZCMSOM-DHZHZOJOSA-N 0 0 324.428 3.004 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)Nc2cccc3cn(C)nc32)cc1 ZINC001180128115 1099323140 /nfs/dbraw/zinc/32/31/40/1099323140.db2.gz CECAWPKFUUZJPK-FMIVXFBMSA-N 0 0 320.396 3.291 20 10 DGCDRN Cc1cncc(/C=C/C(=O)NCc2cccc(Cl)c2O)c1 ZINC001180410833 1099411080 /nfs/dbraw/zinc/41/10/80/1099411080.db2.gz RJNWGILQBPGCLB-AATRIKPKSA-N 0 0 302.761 3.079 20 10 DGCDRN COc1cc(C)ccc1C(=O)NCc1cccc(Cl)c1O ZINC001180410421 1099411944 /nfs/dbraw/zinc/41/19/44/1099411944.db2.gz PTHBEXANSDDURZ-UHFFFAOYSA-N 0 0 305.761 3.293 20 10 DGCDRN CN(Cc1cc(Cl)cc(Cl)c1[O-])[C@@]1(C)CCC[NH2+]C1 ZINC001236200022 1099459839 /nfs/dbraw/zinc/45/98/39/1099459839.db2.gz HOGKOLHCHLPZJP-AWEZNQCLSA-N 0 0 303.233 3.273 20 10 DGCDRN COC(=O)[C@H](C)Cc1ccc(NCc2cccc(F)c2O)cc1 ZINC001180655671 1099485431 /nfs/dbraw/zinc/48/54/31/1099485431.db2.gz ZUDDZECWCZHDTH-GFCCVEGCSA-N 0 0 317.360 3.495 20 10 DGCDRN Nc1ccc2c(c1)C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])CC2 ZINC001236234829 1099487611 /nfs/dbraw/zinc/48/76/11/1099487611.db2.gz SHLHJXDEMDBNIZ-UHFFFAOYSA-N 0 0 306.768 3.325 20 10 DGCDRN COc1cccc(OC)c1CN(C)c1ccc2c(c1)OCO2 ZINC001180758536 1099501000 /nfs/dbraw/zinc/50/10/00/1099501000.db2.gz JSQFQOUIHHZFFH-UHFFFAOYSA-N 0 0 301.342 3.069 20 10 DGCDRN CCOC(=O)CN(Cc1ccc(N)cc1)[C@H](C)c1ccccc1 ZINC001236266340 1099508642 /nfs/dbraw/zinc/50/86/42/1099508642.db2.gz PVKTUJXORYBXMR-OAHLLOKOSA-N 0 0 312.413 3.395 20 10 DGCDRN Nc1ccc(CN2CCOC[C@@H]2c2ccccc2Cl)cc1 ZINC001236314619 1099529341 /nfs/dbraw/zinc/52/93/41/1099529341.db2.gz NFQBHAJHSBAYBJ-QGZVFWFLSA-N 0 0 302.805 3.496 20 10 DGCDRN Nc1ccc(-c2ncnc3c2ccn3Cc2ccc(F)cc2)cn1 ZINC001236309287 1099529398 /nfs/dbraw/zinc/52/93/98/1099529398.db2.gz SDVAJQJVZQFSDB-UHFFFAOYSA-N 0 0 319.343 3.263 20 10 DGCDRN Cc1c[nH]cc1C(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001187790318 1099613403 /nfs/dbraw/zinc/61/34/03/1099613403.db2.gz AVAMLZXJCWAUBS-XSRZAUOLSA-N 0 0 320.356 3.290 20 10 DGCDRN CCN(Cc1ccccc1O)C(=O)Nc1ccc2c(c1)OCO2 ZINC001187857451 1099620127 /nfs/dbraw/zinc/62/01/27/1099620127.db2.gz TXBAQGSBMLOBAE-UHFFFAOYSA-N 0 0 314.341 3.175 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[N@H+](C)Cc2ccno2)c1 ZINC001236671458 1099737376 /nfs/dbraw/zinc/73/73/76/1099737376.db2.gz VNMPVSSVKUGPRS-UHFFFAOYSA-N 0 0 311.179 3.083 20 10 DGCDRN Oc1cc(CN2CC3(C2)CCCC3)c(O)cc1Br ZINC001236767815 1099776394 /nfs/dbraw/zinc/77/63/94/1099776394.db2.gz NNILOFCBQMGJOW-UHFFFAOYSA-N 0 0 312.207 3.236 20 10 DGCDRN CCc1ccc(CN2C[C@H](CO)CC[C@@H]2C(F)(F)F)c(O)c1 ZINC001236783341 1099780978 /nfs/dbraw/zinc/78/09/78/1099780978.db2.gz KENPYJLHLBEEHD-IUODEOHRSA-N 0 0 317.351 3.090 20 10 DGCDRN CCc1ccc(CN2CC[C@@H](N3CCCC3)C(F)(F)C2)c(O)c1 ZINC001236788889 1099784931 /nfs/dbraw/zinc/78/49/31/1099784931.db2.gz SFBAIBGTAHZERD-QGZVFWFLSA-N 0 0 324.415 3.260 20 10 DGCDRN CCc1ccc(CN2Cc3cc(OC)c(OC)cc3C2)c(O)c1 ZINC001236789552 1099785229 /nfs/dbraw/zinc/78/52/29/1099785229.db2.gz XUGHBPOLDJFQJV-UHFFFAOYSA-N 0 0 313.397 3.488 20 10 DGCDRN CCc1ccc(CN2CC[C@H](N3CCCC3)C(F)(F)C2)c(O)c1 ZINC001236788887 1099785401 /nfs/dbraw/zinc/78/54/01/1099785401.db2.gz SFBAIBGTAHZERD-KRWDZBQOSA-N 0 0 324.415 3.260 20 10 DGCDRN Cc1ncc2n1CCN(Cc1cc(Cl)c(Cl)cc1O)C2 ZINC001236790545 1099785937 /nfs/dbraw/zinc/78/59/37/1099785937.db2.gz PXGYEERXPPANJL-UHFFFAOYSA-N 0 0 312.200 3.220 20 10 DGCDRN O=C1CCCN(Cc2cc(Cl)c(Cl)cc2O)C[C@@H]1F ZINC001236794101 1099786877 /nfs/dbraw/zinc/78/68/77/1099786877.db2.gz PKIMIBBMNTUUFS-NSHDSACASA-N 0 0 306.164 3.202 20 10 DGCDRN Oc1cc(Cl)c(Cl)cc1CN1CCOCC(F)(F)C1 ZINC001236792455 1099787941 /nfs/dbraw/zinc/78/79/41/1099787941.db2.gz DKXJQFXVSRBUIK-UHFFFAOYSA-N 0 0 312.143 3.167 20 10 DGCDRN C[C@@H]1CO[C@@H]2C[N@H+](Cc3cc(Cl)c(Cl)cc3[O-])C[C@H]12 ZINC001236798674 1099794408 /nfs/dbraw/zinc/79/44/08/1099794408.db2.gz JUSHFGZYCKUNDG-PJCOJXEDSA-N 0 0 302.201 3.166 20 10 DGCDRN [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001236799188 1099795052 /nfs/dbraw/zinc/79/50/52/1099795052.db2.gz MAFOVFJNQJWUOF-XPTSAGLGSA-N 0 0 302.201 3.310 20 10 DGCDRN COc1ccc(C[N@H+](C)Cc2ccccc2O)c([O-])c1Cl ZINC001236805595 1099798732 /nfs/dbraw/zinc/79/87/32/1099798732.db2.gz BSWSGXQHYCOSMD-UHFFFAOYSA-N 0 0 307.777 3.392 20 10 DGCDRN O=C(c1cc(Nc2cccc(O)c2O)ccc1F)N1CCCC1 ZINC001188861273 1099875090 /nfs/dbraw/zinc/87/50/90/1099875090.db2.gz MSPUSBXUNBRIJR-UHFFFAOYSA-N 0 0 316.332 3.217 20 10 DGCDRN Oc1cc(Br)ccc1CN1CCC(F)(F)CC1 ZINC000691677510 1099939344 /nfs/dbraw/zinc/93/93/44/1099939344.db2.gz NQJVROIHAJZAAP-UHFFFAOYSA-N 0 0 306.150 3.386 20 10 DGCDRN COC(=O)C[N@H+](Cc1ccc(C(C)C)cc1O)C1CCCC1 ZINC001237048187 1099942639 /nfs/dbraw/zinc/94/26/39/1099942639.db2.gz DWAHHTLTAGUHAI-UHFFFAOYSA-N 0 0 305.418 3.433 20 10 DGCDRN [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1CCCC2(COC2)C1 ZINC001237077244 1099955048 /nfs/dbraw/zinc/95/50/48/1099955048.db2.gz DSAQZZXFYZCWQX-UHFFFAOYSA-N 0 0 302.201 3.311 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2Cl)CCC[C@H]1O ZINC001237077552 1099958479 /nfs/dbraw/zinc/95/84/79/1099958479.db2.gz IQDATMLPEFALAA-BXKDBHETSA-N 0 0 304.217 3.292 20 10 DGCDRN CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc(Cl)c1Cl ZINC001237084587 1099962194 /nfs/dbraw/zinc/96/21/94/1099962194.db2.gz LHWGUBYPBFMNBH-LBPRGKRZSA-N 0 0 304.217 3.434 20 10 DGCDRN Oc1cccc(OC(F)(F)F)c1CN1CCc2ccncc2C1 ZINC001237124124 1099983497 /nfs/dbraw/zinc/98/34/97/1099983497.db2.gz XTHAQRSSFITJNP-UHFFFAOYSA-N 0 0 324.302 3.244 20 10 DGCDRN CC(=O)c1cccc(S(=O)(=O)Nc2c(C)cc(O)cc2C)c1 ZINC001189234651 1099985707 /nfs/dbraw/zinc/98/57/07/1099985707.db2.gz BRVXPKAXDLCEOJ-UHFFFAOYSA-N 0 0 319.382 3.012 20 10 DGCDRN CC(C)[C@@H]1COCCN1Cc1cc(C(F)(F)F)ccc1O ZINC001237141131 1099991917 /nfs/dbraw/zinc/99/19/17/1099991917.db2.gz VHHIDZPLACFBIU-ZDUSSCGKSA-N 0 0 303.324 3.268 20 10 DGCDRN O=C1CCC[C@@H]2C[N@@H+](Cc3cc(C(F)(F)F)ccc3O)C[C@@H]12 ZINC001237143806 1099992777 /nfs/dbraw/zinc/99/27/77/1099992777.db2.gz OLOLQTGYJDPRRJ-ZWNOBZJWSA-N 0 0 313.319 3.212 20 10 DGCDRN CC[C@@]12C[C@@H](CO1)N(Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001237146879 1099995818 /nfs/dbraw/zinc/99/58/18/1099995818.db2.gz XCLMTDWCEUNQBT-JSGCOSHPSA-N 0 0 301.308 3.164 20 10 DGCDRN COC(=O)c1cc2cc(C[N@H+](C)Cc3ccccc3O)ccc2[nH]1 ZINC001237321689 1100076217 /nfs/dbraw/zinc/07/62/17/1100076217.db2.gz VAJZJWXPRVNRJE-UHFFFAOYSA-N 0 0 324.380 3.292 20 10 DGCDRN CCOCc1cnc2n1CCN(Cc1c(C)cccc1O)[C@H]2C ZINC001237486159 1100139306 /nfs/dbraw/zinc/13/93/06/1100139306.db2.gz OQTQUSWRSXBGTG-AWEZNQCLSA-N 0 0 315.417 3.010 20 10 DGCDRN C[C@@]1(CO)CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001237616799 1100189550 /nfs/dbraw/zinc/18/95/50/1100189550.db2.gz HPHJTTDEVCUADX-OAHLLOKOSA-N 0 0 301.789 3.169 20 10 DGCDRN Cc1cc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)cc1Br ZINC001237678060 1100212996 /nfs/dbraw/zinc/21/29/96/1100212996.db2.gz IMMRPDGFQGQBPK-XHVZSJERSA-N 0 0 314.198 3.395 20 10 DGCDRN Cc1cc(Cl)cc(CN2CCO[C@@H](c3ccncc3)C2)c1O ZINC001237688851 1100214725 /nfs/dbraw/zinc/21/47/25/1100214725.db2.gz JVBLNDHWIQVAFM-MRXNPFEDSA-N 0 0 318.804 3.323 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Nc1cccc2nsnc21 ZINC001190295670 1100244923 /nfs/dbraw/zinc/24/49/23/1100244923.db2.gz NLQDTCWRFKNMDA-UHFFFAOYSA-N 0 0 314.370 3.061 20 10 DGCDRN CCc1ncc(CN2CCN(c3ccc(OC)cc3)CC2)s1 ZINC001237822570 1100257501 /nfs/dbraw/zinc/25/75/01/1100257501.db2.gz LEBXWLORYHIUQB-UHFFFAOYSA-N 0 0 317.458 3.036 20 10 DGCDRN CC[C@H](C)[C@@H](C(=O)OC)N(C)Cc1cc(F)c(Cl)cc1O ZINC001237940442 1100298260 /nfs/dbraw/zinc/29/82/60/1100298260.db2.gz KZVCMACZNOCXNS-XPTSAGLGSA-N 0 0 317.788 3.204 20 10 DGCDRN Oc1ccc2c(c1)CCN(Cc1cc(F)c(Cl)cc1O)C2 ZINC001237939673 1100298596 /nfs/dbraw/zinc/29/85/96/1100298596.db2.gz ZSXSLYAAMHJTLJ-UHFFFAOYSA-N 0 0 307.752 3.449 20 10 DGCDRN COC(=O)CN(Cc1cc(F)c(Cl)cc1O)C1CCCC1 ZINC001237949932 1100301176 /nfs/dbraw/zinc/30/11/76/1100301176.db2.gz PAKBMICOCFXVAK-UHFFFAOYSA-N 0 0 315.772 3.102 20 10 DGCDRN Cc1cc(F)cc(CN2[C@H](CO)CCC[C@H]2C(F)(F)F)c1O ZINC001238057828 1100343834 /nfs/dbraw/zinc/34/38/34/1100343834.db2.gz OFJHRHKMMSDNNL-STQMWFEESA-N 0 0 321.314 3.117 20 10 DGCDRN Cc1cc(F)cc(CN2CCC(C(=O)C(F)(F)F)CC2)c1O ZINC001238061895 1100345481 /nfs/dbraw/zinc/34/54/81/1100345481.db2.gz LBLJGAIPEMYGFZ-UHFFFAOYSA-N 0 0 319.298 3.183 20 10 DGCDRN Cc1cc(F)cc(CN2CCc3nc(Cl)ccc3C2)c1O ZINC001238061914 1100345650 /nfs/dbraw/zinc/34/56/50/1100345650.db2.gz LJRIUKZAOPDGLQ-UHFFFAOYSA-N 0 0 306.768 3.446 20 10 DGCDRN COc1ccc(N2CCN(Cc3ncc(C)cc3C)CC2)cc1 ZINC001238435644 1100443626 /nfs/dbraw/zinc/44/36/26/1100443626.db2.gz WVKHYSOOIJTLJP-UHFFFAOYSA-N 0 0 311.429 3.029 20 10 DGCDRN CCN(CC(=O)N(C)[C@H](C)CC(C)C)c1ccc(OC)cc1 ZINC001191837908 1100532531 /nfs/dbraw/zinc/53/25/31/1100532531.db2.gz GHBLRCKVGQMMEP-OAHLLOKOSA-N 0 0 306.450 3.415 20 10 DGCDRN COc1cc(SC)c(-c2nc(C)nc3c2ccn3C)cn1 ZINC001239051125 1100582497 /nfs/dbraw/zinc/58/24/97/1100582497.db2.gz PRUGWTLFNONSKG-UHFFFAOYSA-N 0 0 300.387 3.069 20 10 DGCDRN CC(C)Oc1ncc(Cl)cc1-c1ncnc2c1ccn2C ZINC001239310758 1100627691 /nfs/dbraw/zinc/62/76/91/1100627691.db2.gz ZBLGWUMIFVUZFU-UHFFFAOYSA-N 0 0 302.765 3.471 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2cnc(C(C)(C)C)cn2)c(O)c1 ZINC001192804240 1100664541 /nfs/dbraw/zinc/66/45/41/1100664541.db2.gz YTCBULIKMNEKDH-UHFFFAOYSA-N 0 0 313.401 3.027 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C[C@@H]1CCC(C)(C)CO1 ZINC001192938066 1100683129 /nfs/dbraw/zinc/68/31/29/1100683129.db2.gz CSDOPGKSBZWMOT-HNNXBMFYSA-N 0 0 304.434 3.157 20 10 DGCDRN CCc1cccc(C(=O)N2CCCc3cc(O)c(O)cc3C2)c1 ZINC001192964213 1100686897 /nfs/dbraw/zinc/68/68/97/1100686897.db2.gz MRKHKJFJNJRDIR-UHFFFAOYSA-N 0 0 311.381 3.249 20 10 DGCDRN COc1cc(C(=O)Nc2ccc3c(C)ccnc3c2)cc(O)c1O ZINC001193104124 1100705917 /nfs/dbraw/zinc/70/59/17/1100705917.db2.gz GBQWHSREJHPPBG-UHFFFAOYSA-N 0 0 324.336 3.215 20 10 DGCDRN O=C(Nc1cccc2nsnc21)c1ccc(O)c(O)c1Cl ZINC001193210423 1100717851 /nfs/dbraw/zinc/71/78/51/1100717851.db2.gz ZCXAORBBQNIOQA-UHFFFAOYSA-N 0 0 321.745 3.008 20 10 DGCDRN COCCn1ccc2c1ncnc2-c1ccc(C(F)(F)F)nc1 ZINC001240264808 1100915104 /nfs/dbraw/zinc/91/51/04/1100915104.db2.gz GZDNAJABRGFCRH-UHFFFAOYSA-N 0 0 322.290 3.159 20 10 DGCDRN Cc1cc(-c2nccn2C)c(-c2ccc(C(F)(F)F)nc2)nn1 ZINC001240267650 1100916556 /nfs/dbraw/zinc/91/65/56/1100916556.db2.gz OCZJABSEEQWOKB-UHFFFAOYSA-N 0 0 319.290 3.266 20 10 DGCDRN CC[C@H](C)COC(=O)NCc1cc(Br)ccc1O ZINC001194823544 1101017669 /nfs/dbraw/zinc/01/76/69/1101017669.db2.gz LJBSLEVBEWCMTO-VIFPVBQESA-N 0 0 316.195 3.427 20 10 DGCDRN Cc1cc2cc(-c3ccn(Cc4cccnc4)c(=O)c3)cnc2[nH]1 ZINC001240490191 1101018777 /nfs/dbraw/zinc/01/87/77/1101018777.db2.gz RXRJDDIGUDZUQQ-UHFFFAOYSA-N 0 0 316.364 3.143 20 10 DGCDRN COC(=O)c1cc(-c2ccc3ccn(C)c3c2)cn2ccnc12 ZINC001240573623 1101055884 /nfs/dbraw/zinc/05/58/84/1101055884.db2.gz GAVUIOLRQICURC-UHFFFAOYSA-N 0 0 305.337 3.280 20 10 DGCDRN CC[C@@H](C)n1c(=O)[nH]c(C)c(-c2ccc3ccn(C)c3c2)c1=O ZINC001240574801 1101055934 /nfs/dbraw/zinc/05/59/34/1101055934.db2.gz DNQWUOWNUPKRFV-LLVKDONJSA-N 0 0 311.385 3.387 20 10 DGCDRN CN(C(=O)c1ccccc1NN=C1C=CC(=O)C=C1)C1COC1 ZINC001195265067 1101108095 /nfs/dbraw/zinc/10/80/95/1101108095.db2.gz DXCIKHOVHNGCHM-VHEBQXMUSA-N 0 0 311.341 3.278 20 10 DGCDRN CCOc1cccc(CNC(=S)Nc2ccccc2F)n1 ZINC001195801685 1101205138 /nfs/dbraw/zinc/20/51/38/1101205138.db2.gz RJARSTWQHCNTMU-UHFFFAOYSA-N 0 0 305.378 3.106 20 10 DGCDRN Cn1ccc(-c2cncc(SCc3ccccc3)n2)cc1=O ZINC001240978997 1101207112 /nfs/dbraw/zinc/20/71/12/1101207112.db2.gz TXMIIRHFRMBTSU-UHFFFAOYSA-N 0 0 309.394 3.135 20 10 DGCDRN O=c1[nH]cccc1-c1ncnc2c1ccn2Cc1cccc(F)c1 ZINC001241107396 1101256833 /nfs/dbraw/zinc/25/68/33/1101256833.db2.gz ZEDFICXKNPVWTC-UHFFFAOYSA-N 0 0 320.327 3.386 20 10 DGCDRN CCn1cnc2c1ncnc2C1=CCN(c2ccccc2)CC1 ZINC001241345949 1101392830 /nfs/dbraw/zinc/39/28/30/1101392830.db2.gz LVADIKLFCURQJD-UHFFFAOYSA-N 0 0 305.385 3.140 20 10 DGCDRN O=C1CCc2cc(C3=CCN(c4ccccc4)CC3)cnc2N1 ZINC001241352062 1101398423 /nfs/dbraw/zinc/39/84/23/1101398423.db2.gz KYTFZQUTOILDDF-UHFFFAOYSA-N 0 0 305.381 3.260 20 10 DGCDRN O=c1c(C2=CCN(c3ccccc3)CC2)ccnn1C1CCC1 ZINC001241354154 1101398651 /nfs/dbraw/zinc/39/86/51/1101398651.db2.gz AATOHYBJQDPPOX-UHFFFAOYSA-N 0 0 307.397 3.262 20 10 DGCDRN CC(C)Oc1c(F)ccc(C(=O)NCc2ccccc2O)c1F ZINC001196920397 1101424722 /nfs/dbraw/zinc/42/47/22/1101424722.db2.gz FBHCQRWDOZIFDP-UHFFFAOYSA-N 0 0 321.323 3.388 20 10 DGCDRN Cn1ccc2c1cccc2-c1cnn(Cc2ccccc2)c(=O)c1 ZINC001241822354 1101728241 /nfs/dbraw/zinc/72/82/41/1101728241.db2.gz RELGDXXXTSTMAD-UHFFFAOYSA-N 0 0 315.376 3.450 20 10 DGCDRN CC(C)n1cc(-c2ccn(Cc3cccc(F)c3)c(=O)c2)cn1 ZINC001242437529 1102132375 /nfs/dbraw/zinc/13/23/75/1102132375.db2.gz RONSKGAETCFINK-UHFFFAOYSA-N 0 0 311.360 3.480 20 10 DGCDRN COC(=O)c1cc2ccc(-c3cnn(C(F)(F)F)c3)cc2n1C ZINC001242464590 1102144573 /nfs/dbraw/zinc/14/45/73/1102144573.db2.gz LPKYTKXFESVZDG-UHFFFAOYSA-N 0 0 323.274 3.305 20 10 DGCDRN CSc1cncc(-c2ccn(Cc3ccncc3)c(=O)c2)c1 ZINC001242949038 1102435931 /nfs/dbraw/zinc/43/59/31/1102435931.db2.gz KBVQQKMKOOYKQH-UHFFFAOYSA-N 0 0 309.394 3.076 20 10 DGCDRN COCc1cncc(-c2ccn(Cc3ccc(F)cc3)c(=O)c2)c1 ZINC001242957403 1102439718 /nfs/dbraw/zinc/43/97/18/1102439718.db2.gz SKEWGBIJGNBLIG-UHFFFAOYSA-N 0 0 324.355 3.244 20 10 DGCDRN COCc1cncc(-c2ccn(Cc3cccc(F)c3)c(=O)c2)c1 ZINC001242956726 1102440339 /nfs/dbraw/zinc/44/03/39/1102440339.db2.gz DBTKKQARDATYTE-UHFFFAOYSA-N 0 0 324.355 3.244 20 10 DGCDRN O=c1cc(-c2cnn3ccccc23)ccn1Cc1ccc(F)cc1 ZINC001242966918 1102447651 /nfs/dbraw/zinc/44/76/51/1102447651.db2.gz CWAFALHLVBYQPJ-UHFFFAOYSA-N 0 0 319.339 3.350 20 10 DGCDRN COc1ccnc(CNC(=S)Nc2cccc(Cl)c2)c1 ZINC001201108753 1102488746 /nfs/dbraw/zinc/48/87/46/1102488746.db2.gz BVCBKKVOMPAZNB-UHFFFAOYSA-N 0 0 307.806 3.230 20 10 DGCDRN CCc1ccccc1NC(=S)NCc1ccc(O)c(O)c1 ZINC001201151121 1102502044 /nfs/dbraw/zinc/50/20/44/1102502044.db2.gz QXGCURUDWJEENR-UHFFFAOYSA-N 0 0 302.399 3.147 20 10 DGCDRN Cn1cncc1-c1ncnc2c1ccn2Cc1ccc(F)cc1 ZINC001243065166 1102506505 /nfs/dbraw/zinc/50/65/05/1102506505.db2.gz NSEBQQJCTMIXOW-UHFFFAOYSA-N 0 0 307.332 3.019 20 10 DGCDRN CN(c1ccc(C2CC2)cc1)S(=O)(=O)Cc1ccc(N)cc1 ZINC001201680794 1102682141 /nfs/dbraw/zinc/68/21/41/1102682141.db2.gz BPZGBLLPQKRJMR-UHFFFAOYSA-N 0 0 316.426 3.112 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CCCOCC2)c1 ZINC001201703104 1102693890 /nfs/dbraw/zinc/69/38/90/1102693890.db2.gz DTMWVVWNWNEBKA-LBPRGKRZSA-N 0 0 314.223 3.122 20 10 DGCDRN Nc1ncccc1-c1ncnc2c1ccn2Cc1ccccc1F ZINC001243471308 1102741640 /nfs/dbraw/zinc/74/16/40/1102741640.db2.gz XTEGWCDDIDXBJG-UHFFFAOYSA-N 0 0 319.343 3.263 20 10 DGCDRN CCOc1ccccc1NC(=O)N1CCc2cccc(O)c2C1 ZINC001202147495 1102856439 /nfs/dbraw/zinc/85/64/39/1102856439.db2.gz XWFGHNUNRDIVDL-UHFFFAOYSA-N 0 0 312.369 3.381 20 10 DGCDRN CC(C)(C)CC[C@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001202160641 1102865652 /nfs/dbraw/zinc/86/56/52/1102865652.db2.gz YGNXMAFQSJQZFV-GFCCVEGCSA-N 0 0 303.805 3.462 20 10 DGCDRN CC(C)(C)NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001202469302 1103004672 /nfs/dbraw/zinc/00/46/72/1103004672.db2.gz ZDADSISARZLLFW-UHFFFAOYSA-N 0 0 322.364 3.382 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Cc1ccccc1 ZINC001325556055 1103064146 /nfs/dbraw/zinc/06/41/46/1103064146.db2.gz RMSSXIXHZPWRRX-INIZCTEOSA-N 0 0 310.441 3.351 20 10 DGCDRN CC[C@@]1(C)COCCN1Cc1cc(Br)ccc1O ZINC000687976985 1103181599 /nfs/dbraw/zinc/18/15/99/1103181599.db2.gz WMRXMMDVTMCLJA-AWEZNQCLSA-N 0 0 314.223 3.156 20 10 DGCDRN Cc1cc(-c2nccn2C)c(-c2cnc(OC(C)C)c(C)c2)nn1 ZINC001244687497 1103623811 /nfs/dbraw/zinc/62/38/11/1103623811.db2.gz VVLSWBFWFCPGJX-UHFFFAOYSA-N 0 0 323.400 3.343 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC1CC2(CC2(F)F)C1 ZINC001327914432 1103764724 /nfs/dbraw/zinc/76/47/24/1103764724.db2.gz XRFRUXKZQIFQKX-UHFFFAOYSA-N 0 0 323.387 3.048 20 10 DGCDRN COc1cnc(F)c(-c2cc(N3CCc4ccccc43)ncn2)c1 ZINC001245058675 1103831781 /nfs/dbraw/zinc/83/17/81/1103831781.db2.gz IGTHEKYCIWTADH-UHFFFAOYSA-N 0 0 322.343 3.381 20 10 DGCDRN COc1cc(-c2cc(N3CCc4ccccc43)ncn2)cnc1F ZINC001245076401 1103842970 /nfs/dbraw/zinc/84/29/70/1103842970.db2.gz XHUSFOUUHNDXHI-UHFFFAOYSA-N 0 0 322.343 3.381 20 10 DGCDRN Cc1ccc(Cl)cc1NC(=S)NCc1ncccc1O ZINC001245192201 1103899209 /nfs/dbraw/zinc/89/92/09/1103899209.db2.gz YZXUIDKNJCCASS-UHFFFAOYSA-N 0 0 307.806 3.236 20 10 DGCDRN CCCOc1ccc(-c2ccn(Cc3cccnc3)c(=O)c2)cn1 ZINC001245230514 1103921366 /nfs/dbraw/zinc/92/13/66/1103921366.db2.gz CDTAMSUFVOFKBG-UHFFFAOYSA-N 0 0 321.380 3.142 20 10 DGCDRN C[C@@H](CC(=O)NCc1ccc(N(C)C)c(F)c1)C(F)(F)F ZINC001329211286 1104189207 /nfs/dbraw/zinc/18/92/07/1104189207.db2.gz VFVPYKHNGXGDRD-VIFPVBQESA-N 0 0 306.303 3.096 20 10 DGCDRN C[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)CC(F)F ZINC001329236342 1104195758 /nfs/dbraw/zinc/19/57/58/1104195758.db2.gz KJYSBHURQWBSKD-CYBMUJFWSA-N 0 0 323.387 3.153 20 10 DGCDRN CSc1cnc(F)c(-c2ccc3ccc(=O)n(C)c3c2)c1 ZINC001245764409 1104225655 /nfs/dbraw/zinc/22/56/55/1104225655.db2.gz JDIOEIMXCOAMEO-UHFFFAOYSA-N 0 0 300.358 3.462 20 10 DGCDRN CC[C@@H](C)N1C[C@]2(CC1=O)CCCCN2c1ccc(OC)cc1 ZINC001274790853 1104489959 /nfs/dbraw/zinc/48/99/59/1104489959.db2.gz MIOXXLIZCMSXEP-DNVCBOLYSA-N 0 0 316.445 3.455 20 10 DGCDRN CC[C@@H](C)N1C[C@@]2(CC1=O)CCCCN2c1ccc(OC)cc1 ZINC001274790851 1104490132 /nfs/dbraw/zinc/49/01/32/1104490132.db2.gz MIOXXLIZCMSXEP-BEFAXECRSA-N 0 0 316.445 3.455 20 10 DGCDRN CCCCNC(=O)[C@@H]1CC12CCN(c1ccc(OC)cc1)CC2 ZINC001274791358 1104492189 /nfs/dbraw/zinc/49/21/89/1104492189.db2.gz TWYBRRVNGBKJSL-KRWDZBQOSA-N 0 0 316.445 3.218 20 10 DGCDRN CCOc1ccc(N2CCC[C@]23CCN(CC(C)C)C3=O)cc1 ZINC001274797331 1104494719 /nfs/dbraw/zinc/49/47/19/1104494719.db2.gz BGXPJTULYNAERS-LJQANCHMSA-N 0 0 316.445 3.313 20 10 DGCDRN O=C(NC[C@H]1CCc2ccccc2C1)N1Cc2cccc(O)c2C1 ZINC001330681726 1104615617 /nfs/dbraw/zinc/61/56/17/1104615617.db2.gz KTDPYKCHIAGOKL-AWEZNQCLSA-N 0 0 322.408 3.223 20 10 DGCDRN [O-]c1c(F)ccc(F)c1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCC1 ZINC001275361949 1104736269 /nfs/dbraw/zinc/73/62/69/1104736269.db2.gz AAZVHHBGIHTXOX-OKILXGFUSA-N 0 0 322.399 3.262 20 10 DGCDRN CN(Cc1ccccc1O)C(=S)Nc1c(F)cccc1F ZINC001247067349 1104792600 /nfs/dbraw/zinc/79/26/00/1104792600.db2.gz UZHMVMFURLIFBP-UHFFFAOYSA-N 0 0 308.353 3.499 20 10 DGCDRN Oc1ccc(Cc2nc(-c3cc(F)cc(F)c3)no2)cc1O ZINC001247959209 1105021535 /nfs/dbraw/zinc/02/15/35/1105021535.db2.gz MASIISAJRKTBLI-UHFFFAOYSA-N 0 0 304.252 3.017 20 10 DGCDRN Nc1ccc(Cc2nc(-c3ccc(C(F)(F)F)cn3)no2)cc1 ZINC001248183437 1105062609 /nfs/dbraw/zinc/06/26/09/1105062609.db2.gz HIPJAPHVBINRCD-UHFFFAOYSA-N 0 0 320.274 3.323 20 10 DGCDRN Cc1cc(F)c(F)cc1-c1noc(Cc2ccc(N)cc2)n1 ZINC001248184457 1105062648 /nfs/dbraw/zinc/06/26/48/1105062648.db2.gz VZMPDCJQVYJADN-UHFFFAOYSA-N 0 0 301.296 3.496 20 10 DGCDRN COc1c(F)cc(-c2noc(Cc3ccc(N)cc3)n2)cc1F ZINC001248184148 1105062860 /nfs/dbraw/zinc/06/28/60/1105062860.db2.gz OLJHVNXDPFGNHH-UHFFFAOYSA-N 0 0 317.295 3.196 20 10 DGCDRN Nc1ccc(Cc2nc(-c3cc(F)cc(F)c3F)no2)cc1 ZINC001248185750 1105064157 /nfs/dbraw/zinc/06/41/57/1105064157.db2.gz FHKVTXCMBUCBPQ-UHFFFAOYSA-N 0 0 305.259 3.327 20 10 DGCDRN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC001248715135 1105150520 /nfs/dbraw/zinc/15/05/20/1105150520.db2.gz HHMWQJWOOHKPTO-OAACRXHESA-N 0 0 308.809 3.137 20 10 DGCDRN CN(Cc1ccon1)Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249252020 1105256684 /nfs/dbraw/zinc/25/66/84/1105256684.db2.gz FPXVORHAJZNBLZ-UHFFFAOYSA-N 0 0 300.358 3.196 20 10 DGCDRN CCc1cccc(C)c1NC(=S)NCc1cc(OC)ccn1 ZINC001249567948 1105317562 /nfs/dbraw/zinc/31/75/62/1105317562.db2.gz MOLKYNQAXNCVKH-UHFFFAOYSA-N 0 0 315.442 3.448 20 10 DGCDRN COc1cc(CN2CCc3cccc(O)c3C2)cnc1Cl ZINC001249931482 1105408952 /nfs/dbraw/zinc/40/89/52/1105408952.db2.gz NJLZQNWAOMOONC-UHFFFAOYSA-N 0 0 304.777 3.008 20 10 DGCDRN CCCOC1CN(Cc2cc(C)c(Br)cc2O)C1 ZINC001250128211 1105448828 /nfs/dbraw/zinc/44/88/28/1105448828.db2.gz AQQIPNQAPUPMRL-UHFFFAOYSA-N 0 0 314.223 3.074 20 10 DGCDRN Cc1cc(CN2CCC[C@H](F)C2)c(O)cc1Br ZINC001250129142 1105449549 /nfs/dbraw/zinc/44/95/49/1105449549.db2.gz YUNPZANCLARKKB-NSHDSACASA-N 0 0 302.187 3.397 20 10 DGCDRN COc1c(F)c(Cl)ccc1N(CCO)c1ccc(N)cc1 ZINC001250190727 1105465852 /nfs/dbraw/zinc/46/58/52/1105465852.db2.gz AWFXONYXZCCGFG-UHFFFAOYSA-N 0 0 310.756 3.200 20 10 DGCDRN Cc1c(CN2CCCc3cc(O)c(O)cc3C2)nc2ccccn12 ZINC001137274242 1105469236 /nfs/dbraw/zinc/46/92/36/1105469236.db2.gz MEEMLYYJCMJOGY-UHFFFAOYSA-N 0 0 323.396 3.002 20 10 DGCDRN CCn1c(-c2cc(O)c(O)c(OC)c2)nc2ccc(F)c(F)c21 ZINC001250488145 1105523117 /nfs/dbraw/zinc/52/31/17/1105523117.db2.gz DQSXLWHHKVHWKP-UHFFFAOYSA-N 0 0 320.295 3.421 20 10 DGCDRN O=C(NCc1ccccc1O)c1noc2c1CCc1ccccc1-2 ZINC001137471525 1105527533 /nfs/dbraw/zinc/52/75/33/1105527533.db2.gz PEANZVZIGFIISB-UHFFFAOYSA-N 0 0 320.348 3.076 20 10 DGCDRN CN(C)c1ccc2[nH]c(-c3ccc(N4CCOCC4)cc3)nc2c1 ZINC001250702448 1105563433 /nfs/dbraw/zinc/56/34/33/1105563433.db2.gz DBQKVRICSPDLRU-UHFFFAOYSA-N 0 0 322.412 3.133 20 10 DGCDRN COc1ccc(CNC(=O)NC[C@H]2CCC=CCCC2)c(O)c1 ZINC001251539508 1105668348 /nfs/dbraw/zinc/66/83/48/1105668348.db2.gz IKZPHBAGFCEANH-AWEZNQCLSA-N 0 0 318.417 3.337 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)NC3(C)CC3)cc2)CC1 ZINC001251954683 1105714732 /nfs/dbraw/zinc/71/47/32/1105714732.db2.gz BRBIAXXNEASHON-UHFFFAOYSA-N 0 0 301.434 3.275 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCC[C@H](C3CC3)C2)c1 ZINC001252053362 1105731718 /nfs/dbraw/zinc/73/17/18/1105731718.db2.gz NLUCXPGZYOGJLH-GOEBONIOSA-N 0 0 302.418 3.469 20 10 DGCDRN Oc1ccc(-c2nnc(-c3cccc(Cl)c3)o2)c(O)c1O ZINC001253735362 1105976711 /nfs/dbraw/zinc/97/67/11/1105976711.db2.gz LOYFYWXJTLOJKY-UHFFFAOYSA-N 0 0 304.689 3.174 20 10 DGCDRN CC(C)[C@H](O)CNc1ccccc1C(=O)c1ccc(F)cc1 ZINC001253752151 1105980013 /nfs/dbraw/zinc/98/00/13/1105980013.db2.gz ICOPEAGGCPFCBQ-QGZVFWFLSA-N 0 0 301.361 3.486 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)[C@@H](C)C(C)C)CC2)cc1 ZINC001253853595 1105996596 /nfs/dbraw/zinc/99/65/96/1105996596.db2.gz PRXQUSZFRBQJDQ-HNNXBMFYSA-N 0 0 304.434 3.026 20 10 DGCDRN Oc1ccc(CCc2nnc(-c3cccc(F)c3)o2)cc1O ZINC001254170060 1106029605 /nfs/dbraw/zinc/02/96/05/1106029605.db2.gz DGDLNQMHVANBBJ-UHFFFAOYSA-N 0 0 300.289 3.072 20 10 DGCDRN Oc1cc(-c2nnc(Cc3cccc(Cl)c3)o2)cc(O)c1O ZINC001254415672 1106067281 /nfs/dbraw/zinc/06/72/81/1106067281.db2.gz YNJGRVOHWITIQS-UHFFFAOYSA-N 0 0 318.716 3.098 20 10 DGCDRN C[C@@H](NC(=O)NCc1c(F)cc(F)cc1F)c1ccccc1O ZINC001255153068 1106193388 /nfs/dbraw/zinc/19/33/88/1106193388.db2.gz AGXVIMNFZFHITI-SECBINFHSA-N 0 0 324.302 3.370 20 10 DGCDRN CCCc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2O)cc1 ZINC001255239532 1106208807 /nfs/dbraw/zinc/20/88/07/1106208807.db2.gz LGPWXBVKZJPRFU-CYBMUJFWSA-N 0 0 319.426 3.384 20 10 DGCDRN O=C(/C=C\c1cccnc1)N1CCCCc2cc([N+](=O)[O-])ccc21 ZINC001278875692 1106279834 /nfs/dbraw/zinc/27/98/34/1106279834.db2.gz YZHMEROGWMEXRX-TWGQIWQCSA-N 0 0 323.352 3.373 20 10 DGCDRN Cc1cnn(Cc2nnc(-c3ccc(-n4cccc4)cc3)o2)c1 ZINC001256930925 1106513832 /nfs/dbraw/zinc/51/38/32/1106513832.db2.gz OKLRURILGWJCPY-UHFFFAOYSA-N 0 0 305.341 3.081 20 10 DGCDRN CC[C@@H](NC(C)=O)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256965440 1106517010 /nfs/dbraw/zinc/51/70/10/1106517010.db2.gz BIFTWHQRDQUMSR-OAHLLOKOSA-N 0 0 310.357 3.115 20 10 DGCDRN CC1(C)OC[C@@H](c2nnc(-c3ccc(-n4cccc4)cc3)o2)O1 ZINC001256965851 1106517293 /nfs/dbraw/zinc/51/72/93/1106517293.db2.gz LJBQZWDGSZBIFS-AWEZNQCLSA-N 0 0 311.341 3.351 20 10 DGCDRN Oc1ccc(CCc2nnc(CC3CCCCC3)o2)cc1O ZINC001257025762 1106526112 /nfs/dbraw/zinc/52/61/12/1106526112.db2.gz PLTMZYDTAYBUJZ-UHFFFAOYSA-N 0 0 302.374 3.389 20 10 DGCDRN CCN(Cc1ccccc1F)C(=O)c1ccc(C)c(O)c1O ZINC001320061480 1106833196 /nfs/dbraw/zinc/83/31/96/1106833196.db2.gz SUTLBPJZHCTCCR-UHFFFAOYSA-N 0 0 303.333 3.208 20 10 DGCDRN COc1cc(-c2nnc(-c3ccc(C)c(F)c3)o2)cc(O)c1O ZINC001258799973 1106985881 /nfs/dbraw/zinc/98/58/81/1106985881.db2.gz MCCOFGJDQMLBLX-UHFFFAOYSA-N 0 0 316.288 3.271 20 10 DGCDRN C[C@H](Nc1cnn(Cc2cccnc2)c1)c1ccc(F)cc1O ZINC001320424190 1107002515 /nfs/dbraw/zinc/00/25/15/1107002515.db2.gz GJHZLONCJQREIQ-LBPRGKRZSA-N 0 0 312.348 3.344 20 10 DGCDRN CC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2C)ccc1O ZINC001259100810 1107079079 /nfs/dbraw/zinc/07/90/79/1107079079.db2.gz CAXMFLAHIBVUAQ-UHFFFAOYSA-N 0 0 319.382 3.012 20 10 DGCDRN CC(F)(F)c1ccc(C(=O)NCc2ccc(O)cc2O)cc1 ZINC001299573223 1107122488 /nfs/dbraw/zinc/12/24/88/1107122488.db2.gz IMIYACDQOXPRSS-UHFFFAOYSA-N 0 0 307.296 3.140 20 10 DGCDRN CCN(Cc1ccccc1F)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001320754262 1107126668 /nfs/dbraw/zinc/12/66/68/1107126668.db2.gz PRZBMJHHESWQFB-NTMALXAHSA-N 0 0 315.344 3.299 20 10 DGCDRN C[C@H](NCc1ccc(N2CCCC2)cc1)C(=O)OC1CCCC1 ZINC001320765731 1107129739 /nfs/dbraw/zinc/12/97/39/1107129739.db2.gz BNEDWDKHGSQRFY-HNNXBMFYSA-N 0 0 316.445 3.251 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)c1ccnc(Cl)c1 ZINC001321388461 1107337908 /nfs/dbraw/zinc/33/79/08/1107337908.db2.gz LJPWNTOJMKGMMZ-UHFFFAOYSA-N 0 0 309.112 3.177 20 10 DGCDRN c1cc(N2CCCC2)ccc1CNCc1noc2c1CCCC2 ZINC001261136601 1107351275 /nfs/dbraw/zinc/35/12/75/1107351275.db2.gz LDSRELDGYIWMSY-UHFFFAOYSA-N 0 0 311.429 3.443 20 10 DGCDRN Cc1cc(C(=O)N[C@H]2CCC[C@H](F)C2)c(C)n1-c1ccccn1 ZINC001261499186 1107450829 /nfs/dbraw/zinc/45/08/29/1107450829.db2.gz DPJJFPWBAZSBPJ-GJZGRUSLSA-N 0 0 315.392 3.500 20 10 DGCDRN CC(C)CNC(=O)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC001322120677 1107524867 /nfs/dbraw/zinc/52/48/67/1107524867.db2.gz NIYYAYOKNFSYFD-VIFPVBQESA-N 0 0 319.232 3.122 20 10 DGCDRN Cc1ccc(O)c(CNS(=O)(=O)c2cccc(C(C)C)c2)c1 ZINC001261796989 1107532772 /nfs/dbraw/zinc/53/27/72/1107532772.db2.gz SEGGKWBKFQGCLJ-UHFFFAOYSA-N 0 0 319.426 3.303 20 10 DGCDRN CSCc1nnc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)[n-]1 ZINC001262077541 1107605407 /nfs/dbraw/zinc/60/54/07/1107605407.db2.gz GZFWGAJYIWFXNX-QWRGUYRKSA-N 0 0 318.446 3.020 20 10 DGCDRN COc1ccc2[nH]c3c(c2c1)CCN(Cc1ccccc1O)C3 ZINC001262113429 1107625181 /nfs/dbraw/zinc/62/51/81/1107625181.db2.gz NTNIJUMLXMHHAQ-UHFFFAOYSA-N 0 0 308.381 3.440 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)[C@@H]1CCC(F)(F)C1 ZINC001323708197 1108059270 /nfs/dbraw/zinc/05/92/70/1108059270.db2.gz XGUKMSIDJFQZJF-ZCFIWIBFSA-N 0 0 301.680 3.250 20 10 DGCDRN CC(C)OC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000586480693 1108093492 /nfs/dbraw/zinc/09/34/92/1108093492.db2.gz ZDXLVDMUJOTJBJ-UHFFFAOYSA-N 0 0 309.321 3.419 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2nc(C)cs2)cc1 ZINC001318948994 1108251049 /nfs/dbraw/zinc/25/10/49/1108251049.db2.gz XIXIUIISDBQHIV-UHFFFAOYSA-N 0 0 303.431 3.228 20 10 DGCDRN CC(C)[C@@]1(CO)CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001324333075 1108253501 /nfs/dbraw/zinc/25/35/01/1108253501.db2.gz FCANZIFPNQGAOV-HNNXBMFYSA-N 0 0 301.789 3.025 20 10 DGCDRN CCOC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1O ZINC001324337613 1108256148 /nfs/dbraw/zinc/25/61/48/1108256148.db2.gz SVUXVCJNZLPUDM-INIZCTEOSA-N 0 0 313.397 3.463 20 10 DGCDRN CCN(CC)c1ccc(CN[C@H](C)c2noc(C)n2)cc1F ZINC001324454674 1108296222 /nfs/dbraw/zinc/29/62/22/1108296222.db2.gz FXKXCOUHQRSBPH-LLVKDONJSA-N 0 0 306.385 3.214 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H](C)CCCO ZINC001324464827 1108301644 /nfs/dbraw/zinc/30/16/44/1108301644.db2.gz DCBZQUIGQCGYPP-GFCCVEGCSA-N 0 0 320.458 3.294 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cnoc1C1CC1 ZINC001319342341 1108421501 /nfs/dbraw/zinc/42/15/01/1108421501.db2.gz UANNLYXSXAZHOT-UHFFFAOYSA-N 0 0 311.385 3.082 20 10 DGCDRN CC(C)[C@H](NC(=O)Cc1ccc(N)cc1)c1ccc(F)cc1 ZINC000386289983 1108440518 /nfs/dbraw/zinc/44/05/18/1108440518.db2.gz QHKKXIFLOIJEDZ-SFHVURJKSA-N 0 0 300.377 3.464 20 10 DGCDRN C/C(=C/c1ccccn1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001264827101 1108664144 /nfs/dbraw/zinc/66/41/44/1108664144.db2.gz OFUKEAVJDLBZSZ-RAXLEYEMSA-N 0 0 313.376 3.006 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CC[C@H]1CC(C)(C)CO1 ZINC001265094103 1108731517 /nfs/dbraw/zinc/73/15/17/1108731517.db2.gz PYVBPXDTQWPQJY-KRWDZBQOSA-N 0 0 318.461 3.273 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC001287542654 1110119136 /nfs/dbraw/zinc/11/91/36/1110119136.db2.gz OTPJOLFWBCELFF-HKUYNNGSSA-N 0 0 324.424 3.391 20 10 DGCDRN C[C@@H](NC(=O)c1ncc(C(F)(F)F)s1)c1ccccc1O ZINC001302532712 1111117110 /nfs/dbraw/zinc/11/71/10/1111117110.db2.gz POISDLIGPNSJNL-SSDOTTSWSA-N 0 0 316.304 3.359 20 10 DGCDRN C[C@@H](NC(=O)c1cc(-n2cccc2)ccn1)c1ccccc1O ZINC001302532692 1111117160 /nfs/dbraw/zinc/11/71/60/1111117160.db2.gz PBYKKPZCNXGMOR-CYBMUJFWSA-N 0 0 307.353 3.069 20 10 DGCDRN C[C@@H](NC(=O)CCOc1ccc(F)cc1)c1ccccc1O ZINC001302530660 1111117244 /nfs/dbraw/zinc/11/72/44/1111117244.db2.gz VCJCEDAQYKLSQD-GFCCVEGCSA-N 0 0 303.333 3.178 20 10 DGCDRN C[C@@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccccc1O ZINC001302530608 1111117333 /nfs/dbraw/zinc/11/73/33/1111117333.db2.gz SMXWVZFSBBIABL-NEPJUHHUSA-N 0 0 303.333 3.176 20 10 DGCDRN C[C@@H](NC(=O)c1c[nH]nc1-c1ccsc1)c1ccccc1O ZINC001302532770 1111117391 /nfs/dbraw/zinc/11/73/91/1111117391.db2.gz QNWHWYIMIPGXAI-SNVBAGLBSA-N 0 0 313.382 3.335 20 10 DGCDRN O=C(Cc1nsc2ccccc21)N1Cc2cccc(O)c2C1 ZINC001302788513 1111125352 /nfs/dbraw/zinc/12/53/52/1111125352.db2.gz XNMFTHDVRWYDDB-UHFFFAOYSA-N 0 0 310.378 3.087 20 10 DGCDRN O=C(c1snc(Cl)c1Cl)N1Cc2cccc(O)c2C1 ZINC001302788577 1111125411 /nfs/dbraw/zinc/12/54/11/1111125411.db2.gz YCSBRYJQEZBGEY-UHFFFAOYSA-N 0 0 315.181 3.312 20 10 DGCDRN O=C(c1ccc2ccc(O)cc2c1O)N1Cc2cccc(O)c2C1 ZINC001302786287 1111125549 /nfs/dbraw/zinc/12/55/49/1111125549.db2.gz GZTAOTVCFIRZOY-UHFFFAOYSA-N 0 0 321.332 3.113 20 10 DGCDRN CC[S@](C)(=O)=NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC001303903230 1111157426 /nfs/dbraw/zinc/15/74/26/1111157426.db2.gz ORDGMDLDQIPWEF-QFIPXVFZSA-N 0 0 322.405 3.491 20 10 DGCDRN Cc1noc(C)c1CC(=O)NCc1c(O)ccc2ccccc21 ZINC001304089738 1111166022 /nfs/dbraw/zinc/16/60/22/1111166022.db2.gz JDQPJLHNUXTHAV-UHFFFAOYSA-N 0 0 310.353 3.009 20 10 DGCDRN C[C@@H](Sc1ccccn1)C(=O)NCc1cccc(Cl)c1O ZINC001305085212 1111192774 /nfs/dbraw/zinc/19/27/74/1111192774.db2.gz SYRSRAMGTRNVOG-SNVBAGLBSA-N 0 0 322.817 3.238 20 10 DGCDRN C/C(=C\c1ccncc1)C(=O)NCc1cccc(Cl)c1O ZINC001305084365 1111193150 /nfs/dbraw/zinc/19/31/50/1111193150.db2.gz IMJWXKNDXQUAJN-PKNBQFBNSA-N 0 0 302.761 3.160 20 10 DGCDRN CC(C)C1CCC(CNC(=O)c2c(F)ccc(O)c2O)CC1 ZINC001306710988 1111237400 /nfs/dbraw/zinc/23/74/00/1111237400.db2.gz RGADCZUHDQQCQY-UHFFFAOYSA-N 0 0 309.381 3.429 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H](CCO)c1cccs1 ZINC001308277729 1111409246 /nfs/dbraw/zinc/40/92/46/1111409246.db2.gz NHIXYLLGLSDPIX-LBPRGKRZSA-N 0 0 315.797 3.460 20 10 DGCDRN Cn1cc(NCc2cc(F)cc(F)c2O)c(-c2ccccn2)n1 ZINC001308370145 1111423027 /nfs/dbraw/zinc/42/30/27/1111423027.db2.gz XPTUJIUEYQJFIW-UHFFFAOYSA-N 0 0 316.311 3.078 20 10 DGCDRN COC(=O)CCc1ccc(NCc2cc(OC)ccc2O)cc1 ZINC001308679276 1111459907 /nfs/dbraw/zinc/45/99/07/1111459907.db2.gz ALYMWVCMVJCQSF-UHFFFAOYSA-N 0 0 315.369 3.119 20 10 DGCDRN COc1ccc(O)c(CN(C)Cc2nc(-c3ccccc3)c[nH]2)c1 ZINC001308748000 1111470188 /nfs/dbraw/zinc/47/01/88/1111470188.db2.gz WJWWNHXSOBIMEK-UHFFFAOYSA-N 0 0 323.396 3.423 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]C1CCC(OC(F)F)CC1 ZINC001308770005 1111472697 /nfs/dbraw/zinc/47/26/97/1111472697.db2.gz PKDIZOVDJWYZKI-UHFFFAOYSA-N 0 0 307.287 3.310 20 10 DGCDRN COc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])nc1 ZINC001308806549 1111477826 /nfs/dbraw/zinc/47/78/26/1111477826.db2.gz ZBNZDSFUVHBEBT-UHFFFAOYSA-N 0 0 313.184 3.392 20 10 DGCDRN O=C1CC[C@@H](c2cccc(NCc3cccc(F)c3O)c2)N1 ZINC001308820169 1111480319 /nfs/dbraw/zinc/48/03/19/1111480319.db2.gz QBYOPKPMGHTNLB-HNNXBMFYSA-N 0 0 300.333 3.095 20 10 DGCDRN CC[C@H](C[NH2+]Cc1cc(F)c(F)cc1[O-])C(=O)OC(C)(C)C ZINC001308947283 1111497708 /nfs/dbraw/zinc/49/77/08/1111497708.db2.gz ISLIWUPPAHSQLC-SNVBAGLBSA-N 0 0 315.360 3.128 20 10 DGCDRN [O-]c1cccc(F)c1C[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC001308947288 1111497835 /nfs/dbraw/zinc/49/78/35/1111497835.db2.gz BRCPFQRJPLCUTH-UHFFFAOYSA-N 0 0 315.323 3.146 20 10 DGCDRN COC1(C(F)(F)F)CN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC001308956147 1111499965 /nfs/dbraw/zinc/49/99/65/1111499965.db2.gz GRVDTGDSTMTQHO-SNAWJCMRSA-N 0 0 314.351 3.029 20 10 DGCDRN COC[C@H](C)OC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC001309026003 1111509239 /nfs/dbraw/zinc/50/92/39/1111509239.db2.gz YSWPFRVWIJBFOI-HNNXBMFYSA-N 0 0 320.433 3.280 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)c1 ZINC001312332459 1111647962 /nfs/dbraw/zinc/64/79/62/1111647962.db2.gz NHVYCTNUJRZSJU-QXAKKESOSA-N 0 0 322.408 3.228 20 10 DGCDRN COc1ccc(CNC(=O)NCC2C[C@@H](C)C[C@H](C)C2)c(O)c1 ZINC001312985259 1111686485 /nfs/dbraw/zinc/68/64/85/1111686485.db2.gz WCUUDSMJSMSSRY-STQMWFEESA-N 0 0 320.433 3.272 20 10 DGCDRN CCSCCCn1c(C)nnc1N(C)Cc1ccccc1O ZINC001314610525 1111732803 /nfs/dbraw/zinc/73/28/03/1111732803.db2.gz OQWUJSHOVBLWLJ-UHFFFAOYSA-N 0 0 320.462 3.072 20 10 DGCDRN Cc1ccc(CCC(=O)NCCc2ccc(O)c(O)c2)c(C)c1 ZINC000097002233 185396467 /nfs/dbraw/zinc/39/64/67/185396467.db2.gz ZSORZHVTCXDWPX-UHFFFAOYSA-N 0 0 313.397 3.006 20 10 DGCDRN C[C@H]1CN(C(=O)Cc2ccc(N)cc2)CC[C@H]1c1ccccc1 ZINC000237612264 290696727 /nfs/dbraw/zinc/69/67/27/290696727.db2.gz DAAXGGGORCDQOE-HNAYVOBHSA-N 0 0 308.425 3.464 20 10 DGCDRN Cc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)oc1C ZINC000163619323 432037503 /nfs/dbraw/zinc/03/75/03/432037503.db2.gz QNLWZZBIKMIPLJ-UHFFFAOYSA-N 0 0 300.358 3.002 20 10 DGCDRN CC(C)Oc1cccc([C@@H](C)NC(=O)Cc2ccc(N)cc2)c1 ZINC000236768059 201999188 /nfs/dbraw/zinc/99/91/88/201999188.db2.gz YKNDBHMFPBRBCS-CQSZACIVSA-N 0 0 312.413 3.476 20 10 DGCDRN C[C@@H](Sc1ncc(C(C)(C)C)s1)C(=O)Nc1ncccn1 ZINC000164367827 432046933 /nfs/dbraw/zinc/04/69/33/432046933.db2.gz MOQMAKKJVXGAHM-SECBINFHSA-N 0 0 322.459 3.350 20 10 DGCDRN CC(C)=CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000081203145 192236201 /nfs/dbraw/zinc/23/62/01/192236201.db2.gz OOQHBRIHZKXIEU-CYBMUJFWSA-N 0 0 324.371 3.339 20 10 DGCDRN C[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180789134 291097962 /nfs/dbraw/zinc/09/79/62/291097962.db2.gz SRBCKDVDFHXUQJ-UPNWVKGFSA-N 0 0 301.386 3.291 20 10 DGCDRN C[C@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1ccc(F)c(F)c1[O-] ZINC000278819972 299279963 /nfs/dbraw/zinc/27/99/63/299279963.db2.gz ODKPFYIQYPPNGB-NSHDSACASA-N 0 0 311.372 3.264 20 10 DGCDRN C[C@H]([NH2+]CC1([S@](C)=O)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000282220519 299285170 /nfs/dbraw/zinc/28/51/70/299285170.db2.gz HYEIPHBZNAWEJH-RLBGWGEZSA-N 0 0 322.257 3.261 20 10 DGCDRN C[C@@H](C[S@](C)=O)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000186541197 296004929 /nfs/dbraw/zinc/00/49/29/296004929.db2.gz VYZVAWLCCSCRKI-KEJSXXJDSA-N 0 0 310.246 3.117 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OCc3nnc4n3CCCC4)cc12 ZINC000421195543 237730248 /nfs/dbraw/zinc/73/02/48/237730248.db2.gz HYHLUCXFJZMAOT-UHFFFAOYSA-N 0 0 310.401 3.302 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1ccc(F)c(F)c1[O-] ZINC000191183562 299305339 /nfs/dbraw/zinc/30/53/39/299305339.db2.gz ACXLZIHDMWEBJO-GWCFXTLKSA-N 0 0 310.344 3.217 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)C[C@@H]3CCCO3)cc2)CC1 ZINC000170974854 432090348 /nfs/dbraw/zinc/09/03/48/432090348.db2.gz ILYRNGGWDMODTK-SFHVURJKSA-N 0 0 316.445 3.108 20 10 DGCDRN O=[N+]([O-])c1ccccc1/C=C\CN1C[C@H](O)Cc2ccccc21 ZINC000435041336 238267131 /nfs/dbraw/zinc/26/71/31/238267131.db2.gz PJXWIJBMOXABRC-KQQSKNTNSA-N 0 0 310.353 3.032 20 10 DGCDRN O=C(/C=C/c1cncs1)N1CCOc2c(Cl)cccc21 ZINC000493252356 283725891 /nfs/dbraw/zinc/72/58/91/283725891.db2.gz AMOIXDNHNLXPRS-SNAWJCMRSA-N 0 0 306.774 3.235 20 10 DGCDRN Cn1c(-c2ccccc2)cnc1SCC(=O)C1CCOCC1 ZINC000092254416 193182050 /nfs/dbraw/zinc/18/20/50/193182050.db2.gz ORDZQCVCHQRGML-UHFFFAOYSA-N 0 0 316.426 3.175 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273479869 299388993 /nfs/dbraw/zinc/38/89/93/299388993.db2.gz LQAUNUZFIYJHFY-NWDGAFQWSA-N 0 0 306.362 3.053 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1ccc(F)c(F)c1[O-] ZINC000191183610 296132622 /nfs/dbraw/zinc/13/26/22/296132622.db2.gz ACXLZIHDMWEBJO-ZWNOBZJWSA-N 0 0 310.344 3.217 20 10 DGCDRN O=C(/C=C\c1cnc2ccccc2n1)N1CCCc2ncccc21 ZINC000490946885 245447533 /nfs/dbraw/zinc/44/75/33/245447533.db2.gz FTZMROSLVJYPIA-KTKRTIGZSA-N 0 0 316.364 3.017 20 10 DGCDRN Cc1ccc(N(C)C(=O)/C=C\c2cnn(-c3ccccc3)c2)nc1 ZINC000493854817 246086136 /nfs/dbraw/zinc/08/61/36/246086136.db2.gz XTDHILACKLLDPL-LUAWRHEFSA-N 0 0 318.380 3.252 20 10 DGCDRN Nc1ccc(NC(=O)c2cc(F)ccc2Br)cc1 ZINC000021954430 182300222 /nfs/dbraw/zinc/30/02/22/182300222.db2.gz ZDFFDDBPCIJHNQ-UHFFFAOYSA-N 0 0 309.138 3.423 20 10 DGCDRN O=C(/C=C/c1ccc(Cl)nc1)N1CCOc2ccccc21 ZINC000152376448 335037106 /nfs/dbraw/zinc/03/71/06/335037106.db2.gz OONPIIFKSPOZTG-SOFGYWHQSA-N 0 0 300.745 3.174 20 10 DGCDRN COc1cccc(CNC(=O)[C@H](C)OC2CCCCCC2)c1O ZINC000131043925 533508100 /nfs/dbraw/zinc/50/81/00/533508100.db2.gz WWNADGBXBFVPNM-ZDUSSCGKSA-N 0 0 321.417 3.145 20 10 DGCDRN CN(Cc1cnc([C@@H]2CCCO2)s1)c1ccc2c(c1)OCO2 ZINC000272569480 130041625 /nfs/dbraw/zinc/04/16/25/130041625.db2.gz VOQFOCNTOIVITH-AWEZNQCLSA-N 0 0 318.398 3.360 20 10 DGCDRN CO[C@@H](C)CCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000272778080 130062285 /nfs/dbraw/zinc/06/22/85/130062285.db2.gz XNNCRURZDBTPOL-AWEZNQCLSA-N 0 0 304.434 3.059 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(F)n1 ZINC000272831951 130067962 /nfs/dbraw/zinc/06/79/62/130067962.db2.gz FQZRALJLLUYQNI-UHFFFAOYSA-N 0 0 315.392 3.338 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCCCS1 ZINC000272933628 130074799 /nfs/dbraw/zinc/07/47/99/130074799.db2.gz KUGMRIFQZNWMGI-MRXNPFEDSA-N 0 0 305.443 3.173 20 10 DGCDRN C[C@@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273388109 130115609 /nfs/dbraw/zinc/11/56/09/130115609.db2.gz DELXEWBNAAUWLU-JHJVBQTASA-N 0 0 308.378 3.156 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(N(C)C)nc1)c1cc(Cl)ccc1O ZINC000273412740 130119275 /nfs/dbraw/zinc/11/92/75/130119275.db2.gz PZPHQJVNIZYXNM-LLVKDONJSA-N 0 0 305.809 3.357 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000273427534 130120786 /nfs/dbraw/zinc/12/07/86/130120786.db2.gz UQCMOPPVOFCQLN-OCCSQVGLSA-N 0 0 321.367 3.172 20 10 DGCDRN C[C@H](N[C@@H](CO)c1c(F)cccc1F)c1ccc(F)cc1O ZINC000273512991 130130549 /nfs/dbraw/zinc/13/05/49/130130549.db2.gz RZNLSGQAPVHSGM-XPTSAGLGSA-N 0 0 311.303 3.194 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)c1cnn(C)c1 ZINC000273578026 130140979 /nfs/dbraw/zinc/14/09/79/130140979.db2.gz MCZIFSZRZKGJKO-UWVGGRQHSA-N 0 0 324.222 3.300 20 10 DGCDRN Cc1cnccc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000274410208 130232458 /nfs/dbraw/zinc/23/24/58/130232458.db2.gz GSAUKGOLLDKNRP-UHFFFAOYSA-N 0 0 309.413 3.261 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)c1ccn(C)n1 ZINC000274826292 130265305 /nfs/dbraw/zinc/26/53/05/130265305.db2.gz UADRESGPLYONDJ-UHFFFAOYSA-N 0 0 314.414 3.166 20 10 DGCDRN Cn1ccc(C=CC(=O)N2C[C@H]3CCC(=O)c4cccc2c43)c1 ZINC000276838838 130551644 /nfs/dbraw/zinc/55/16/44/130551644.db2.gz CIXAXHLFCPKSFI-LHRNQBEKSA-N 0 0 306.365 3.145 20 10 DGCDRN CO[C@@H]1CCC[C@@H](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000280252364 130792118 /nfs/dbraw/zinc/79/21/18/130792118.db2.gz LVSXESWHSDAXMU-SJLPKXTDSA-N 0 0 318.461 3.306 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000281906242 130891502 /nfs/dbraw/zinc/89/15/02/130891502.db2.gz XTQUWRSQSMCDIU-HDJSIYSDSA-N 0 0 314.360 3.277 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)[C@H]1CCOC1 ZINC000283549349 131002638 /nfs/dbraw/zinc/00/26/38/131002638.db2.gz DTSJVWSMZZDFMZ-HOCLYGCPSA-N 0 0 320.433 3.129 20 10 DGCDRN CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H](C)C(=O)[O-])cc1 ZINC000284382905 131076337 /nfs/dbraw/zinc/07/63/37/131076337.db2.gz YGJVYYGKBCJFFO-HNNXBMFYSA-N 0 0 312.413 3.276 20 10 DGCDRN CC[C@@H]([NH2+]CCCn1nc(C)cc1C)c1ccc(F)cc1[O-] ZINC000285494253 131173790 /nfs/dbraw/zinc/17/37/90/131173790.db2.gz CFHFOUKCWAIAPP-MRXNPFEDSA-N 0 0 305.397 3.476 20 10 DGCDRN C[C@H]1COCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000285660384 131190420 /nfs/dbraw/zinc/19/04/20/131190420.db2.gz ZAZCSHQZJIAJPC-VHSXEESVSA-N 0 0 304.217 3.461 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccc(F)cc1[O-] ZINC000286036784 131217467 /nfs/dbraw/zinc/21/74/67/131217467.db2.gz KKGMESWMYUJTTE-SJLPKXTDSA-N 0 0 303.377 3.480 20 10 DGCDRN CC1(C)CC[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000286566599 131241777 /nfs/dbraw/zinc/24/17/77/131241777.db2.gz ITBGYKYFPSFCCK-MRXNPFEDSA-N 0 0 301.434 3.275 20 10 DGCDRN CC[C@H]([NH2+][C@H]1CCC(=O)NC12CCC2)c1cccc(Cl)c1[O-] ZINC000286866564 131252862 /nfs/dbraw/zinc/25/28/62/131252862.db2.gz BLZWRRRPOOJURA-KBPBESRZSA-N 0 0 322.836 3.288 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000286869525 131253722 /nfs/dbraw/zinc/25/37/22/131253722.db2.gz YRSKWIKSGHZKMT-ARFHVFGLSA-N 0 0 317.429 3.363 20 10 DGCDRN CC[C@@H]([NH2+]Cc1ccc(C)n(C)c1=O)c1cccc(Cl)c1[O-] ZINC000287069637 131261969 /nfs/dbraw/zinc/26/19/69/131261969.db2.gz NYXXMBCSKDPXGS-OAHLLOKOSA-N 0 0 320.820 3.294 20 10 DGCDRN Cc1cccc(CCC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000287289627 131273971 /nfs/dbraw/zinc/27/39/71/131273971.db2.gz DDQJAOYDNDMKEX-CYBMUJFWSA-N 0 0 315.373 3.287 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CCCc3occc3C2)cc1OC ZINC000289055946 131354553 /nfs/dbraw/zinc/35/45/53/131354553.db2.gz MPEBOBIPSRQHCR-UHFFFAOYSA-N 0 0 318.329 3.158 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CCCO1 ZINC000298628463 132070927 /nfs/dbraw/zinc/07/09/27/132070927.db2.gz UJWJQTUQGHNMTP-QGZVFWFLSA-N 0 0 304.434 3.059 20 10 DGCDRN COc1cccc([C@H](C)NC(=O)N(C)Cc2ccccc2O)c1 ZINC000298938097 132083339 /nfs/dbraw/zinc/08/33/39/132083339.db2.gz HQOFVKMBQZRMPR-ZDUSSCGKSA-N 0 0 314.385 3.303 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Nc2nc(C)c(C)o2)cc1 ZINC000299267032 132095716 /nfs/dbraw/zinc/09/57/16/132095716.db2.gz KADVMANHVPJKDJ-UHFFFAOYSA-N 0 0 316.405 3.459 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)CSCc2ccco2)cc1 ZINC000299474487 132107261 /nfs/dbraw/zinc/10/72/61/132107261.db2.gz UVCGHIAMEGOXTN-UHFFFAOYSA-N 0 0 318.442 3.237 20 10 DGCDRN COc1ccc(F)cc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000028495091 400290082 /nfs/dbraw/zinc/29/00/82/400290082.db2.gz QZLCKIBKDZDPCD-UHFFFAOYSA-N 0 0 316.376 3.173 20 10 DGCDRN CC(C)c1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)on1 ZINC000071100731 400368578 /nfs/dbraw/zinc/36/85/78/400368578.db2.gz TYNYKYRJNQAKNK-UHFFFAOYSA-N 0 0 301.390 3.136 20 10 DGCDRN CC(C)CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000042905744 400446076 /nfs/dbraw/zinc/44/60/76/400446076.db2.gz ISNSAYQFFGJDQS-MRXNPFEDSA-N 0 0 320.433 3.129 20 10 DGCDRN Cc1nc(NC(=O)NCc2c(O)ccc3c2CCCC3)oc1C ZINC000075504069 400588933 /nfs/dbraw/zinc/58/89/33/400588933.db2.gz GUIQJQKTLRTWAA-UHFFFAOYSA-N 0 0 315.373 3.198 20 10 DGCDRN COc1ccc(O)c([C@H](C)Nc2ncc(C)cc2[N+](=O)[O-])c1 ZINC000078659405 400817438 /nfs/dbraw/zinc/81/74/38/400817438.db2.gz DRGWCVRMQMQSIF-JTQLQIEISA-N 0 0 303.318 3.186 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(Cl)cn1C ZINC000053662268 400795862 /nfs/dbraw/zinc/79/58/62/400795862.db2.gz OZFRIHAJHGILKC-UHFFFAOYSA-N 0 0 319.836 3.407 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CC[C@H]2CCCO2)cc1 ZINC000079391447 400862541 /nfs/dbraw/zinc/86/25/41/400862541.db2.gz QIFZTLZBKNXZFU-QGZVFWFLSA-N 0 0 304.434 3.108 20 10 DGCDRN Cc1ccsc1CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000058557898 401060511 /nfs/dbraw/zinc/06/05/11/401060511.db2.gz ZHJKYBHJPFOVCQ-UHFFFAOYSA-N 0 0 321.421 3.261 20 10 DGCDRN CC(=O)c1ccc(N(C)Cc2ccccc2O)c([N+](=O)[O-])c1 ZINC000089635383 401233078 /nfs/dbraw/zinc/23/30/78/401233078.db2.gz IYMYMDQRNVEKAY-UHFFFAOYSA-N 0 0 300.314 3.139 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1COc2ccccc21)c1ccc(F)c(F)c1[O-] ZINC000290165760 287039242 /nfs/dbraw/zinc/03/92/42/287039242.db2.gz DMYMPRKNLQDJCW-MNOVXSKESA-N 0 0 305.324 3.497 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2nccn2c1 ZINC000171679252 432160000 /nfs/dbraw/zinc/16/00/00/432160000.db2.gz QXDGHSZQJCCRFW-UHFFFAOYSA-N 0 0 322.412 3.063 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)C(C)(C)c1ccc(F)cc1 ZINC000136942926 432166248 /nfs/dbraw/zinc/16/62/48/432166248.db2.gz VFSZHYBXTYEIOY-UHFFFAOYSA-N 0 0 301.361 3.468 20 10 DGCDRN Cc1cccc(OCCC(=O)N(C)Cc2ccccc2O)c1C ZINC000136951699 432166294 /nfs/dbraw/zinc/16/62/94/432166294.db2.gz VQPHMAASFJCKOV-UHFFFAOYSA-N 0 0 313.397 3.437 20 10 DGCDRN C[C@@H]1CC=CC[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000285192582 287242602 /nfs/dbraw/zinc/24/26/02/287242602.db2.gz AYNOAXULRLYTSY-UKRRQHHQSA-N 0 0 300.402 3.080 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@H]2C[C@@H]2c2sccc2C)c1 ZINC000133599192 227038763 /nfs/dbraw/zinc/03/87/63/227038763.db2.gz VGAPUNAKEUDDSS-KBPBESRZSA-N 0 0 317.410 3.191 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000182636151 228369026 /nfs/dbraw/zinc/36/90/26/228369026.db2.gz USYZMBOXLJPGEE-SWLSCSKDSA-N 0 0 313.850 3.190 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCC(Cc2ccccc2)CC1 ZINC000184771651 228386471 /nfs/dbraw/zinc/38/64/71/228386471.db2.gz WFBSYYLJNAFKPH-UHFFFAOYSA-N 0 0 311.381 3.193 20 10 DGCDRN Cc1c(/C=C/C(=O)N(C)c2cc(Cl)ccc2C)cnn1C ZINC000294312120 228846060 /nfs/dbraw/zinc/84/60/60/228846060.db2.gz SWMSAXXSSIIWAT-SOFGYWHQSA-N 0 0 303.793 3.367 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ncc([N+](=O)[O-])cc1C ZINC000301297315 228895369 /nfs/dbraw/zinc/89/53/69/228895369.db2.gz PQDJEPUPNYGSIE-UHFFFAOYSA-N 0 0 300.362 3.285 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)C3CC3)ccc21 ZINC000343180356 229122657 /nfs/dbraw/zinc/12/26/57/229122657.db2.gz XJBOUGQSZCOMAU-CYBMUJFWSA-N 0 0 314.429 3.433 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1ccc(O)cc1 ZINC000349353882 229212282 /nfs/dbraw/zinc/21/22/82/229212282.db2.gz KSOPSPKTQYDYAF-UHFFFAOYSA-N 0 0 323.396 3.192 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC1CC(F)(F)C1 ZINC000349919709 229218508 /nfs/dbraw/zinc/21/85/08/229218508.db2.gz IOYFNMVPXPDIJS-UHFFFAOYSA-N 0 0 307.344 3.084 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1CCSC1 ZINC000350066053 229219123 /nfs/dbraw/zinc/21/91/23/229219123.db2.gz CSNFFCZGICGSOE-CYBMUJFWSA-N 0 0 317.458 3.039 20 10 DGCDRN COc1cccc(CN2CCSC[C@H]2c2nccs2)c1O ZINC000186645160 278010838 /nfs/dbraw/zinc/01/08/38/278010838.db2.gz WBSAOZXLKGOWME-LBPRGKRZSA-N 0 0 322.455 3.147 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1ccc(F)cc1[O-] ZINC000370372911 278388683 /nfs/dbraw/zinc/38/86/83/278388683.db2.gz GDHOZIJDSWMHQU-PXAZEXFGSA-N 0 0 300.377 3.369 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1=COCCC1 ZINC000068387512 431124139 /nfs/dbraw/zinc/12/41/39/431124139.db2.gz BHMOILRPOKBRCS-UHFFFAOYSA-N 0 0 314.429 3.330 20 10 DGCDRN C[C@@H]1Oc2ccc(N[C@@H]3CCc4cccc(O)c43)cc2NC1=O ZINC000296887201 279064190 /nfs/dbraw/zinc/06/41/90/279064190.db2.gz OKCUOKXALZZQNH-GXFFZTMASA-N 0 0 310.353 3.211 20 10 DGCDRN COc1cc(NCc2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000074314430 431411768 /nfs/dbraw/zinc/41/17/68/431411768.db2.gz NSZHLSNAGFRRDO-UHFFFAOYSA-N 0 0 316.401 3.391 20 10 DGCDRN CCSCC[C@@H](C)N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000075546348 431485572 /nfs/dbraw/zinc/48/55/72/431485572.db2.gz HPWFWZDNBDXMNL-CQSZACIVSA-N 0 0 323.506 3.426 20 10 DGCDRN CS[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000117400742 431560965 /nfs/dbraw/zinc/56/09/65/431560965.db2.gz BDSGCWVYKCFANM-GOEBONIOSA-N 0 0 321.490 3.226 20 10 DGCDRN CS[C@H]1CCC[C@H](NC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000117400737 431561542 /nfs/dbraw/zinc/56/15/42/431561542.db2.gz BDSGCWVYKCFANM-HOCLYGCPSA-N 0 0 321.490 3.226 20 10 DGCDRN Cc1ccc(C)c(NC(=O)CN(C)c2ccc3c(c2)OCO3)c1 ZINC000121277102 431764999 /nfs/dbraw/zinc/76/49/99/431764999.db2.gz LQIIZBLDGUJQFH-UHFFFAOYSA-N 0 0 312.369 3.107 20 10 DGCDRN Cc1cccc(NC(=O)CN(C)c2ccc3c(c2)OCO3)c1C ZINC000121420252 431784860 /nfs/dbraw/zinc/78/48/60/431784860.db2.gz MIAIVXRJVJBPER-UHFFFAOYSA-N 0 0 312.369 3.107 20 10 DGCDRN CCC[C@H](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000122692622 431841558 /nfs/dbraw/zinc/84/15/58/431841558.db2.gz YGRBBRKSEXQWFS-AWEZNQCLSA-N 0 0 322.424 3.105 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C1CCN(C2CC2)CC1 ZINC000037141010 431844260 /nfs/dbraw/zinc/84/42/60/431844260.db2.gz XMMIOWCEVJPYMD-UHFFFAOYSA-N 0 0 315.244 3.415 20 10 DGCDRN CN(CCO)c1ccc(NCc2c(O)cccc2Cl)cc1 ZINC000123276390 431860998 /nfs/dbraw/zinc/86/09/98/431860998.db2.gz MWKROJMKKIRRQB-UHFFFAOYSA-N 0 0 306.793 3.086 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)[C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000122566630 431837246 /nfs/dbraw/zinc/83/72/46/431837246.db2.gz ANKLZPFJQRYAFO-XHSDSOJGSA-N 0 0 317.429 3.363 20 10 DGCDRN CCOc1cccc(CNc2ccc3c(c2)CCC(=O)N3)c1O ZINC000122584003 431838866 /nfs/dbraw/zinc/83/88/66/431838866.db2.gz JNYHULKLEONALO-UHFFFAOYSA-N 0 0 312.369 3.288 20 10 DGCDRN CCc1nc(CN(C)c2cc(OC)c(OC)c(OC)c2)cs1 ZINC000125744560 431934131 /nfs/dbraw/zinc/93/41/31/431934131.db2.gz UUKMWECKVAHDDM-UHFFFAOYSA-N 0 0 322.430 3.368 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN(C)Cc2cscn2)c1O ZINC000050142262 431946945 /nfs/dbraw/zinc/94/69/45/431946945.db2.gz WBEFPWXIKXPNTP-UHFFFAOYSA-N 0 0 310.806 3.337 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC(=O)C[C@H]1C ZINC000270658269 432272190 /nfs/dbraw/zinc/27/21/90/432272190.db2.gz SJUUBVDHHHMRBY-KDOFPFPSSA-N 0 0 316.445 3.106 20 10 DGCDRN CCC[C@H](C)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000248271599 432277463 /nfs/dbraw/zinc/27/74/63/432277463.db2.gz QGEBKGVEJRGEGO-GOEBONIOSA-N 0 0 305.418 3.336 20 10 DGCDRN Oc1ccc(F)cc1C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000191673420 432290797 /nfs/dbraw/zinc/29/07/97/432290797.db2.gz CYOFPODEGDVSQD-UHFFFAOYSA-N 0 0 320.339 3.109 20 10 DGCDRN CC[C@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC000183474575 432295479 /nfs/dbraw/zinc/29/54/79/432295479.db2.gz NLSNQIPKVQZWHU-CJNGLKHVSA-N 0 0 313.397 3.339 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CC[C@H](C)OC)cc1F ZINC000183463768 432295648 /nfs/dbraw/zinc/29/56/48/432295648.db2.gz NFQSRXVRICWOOD-ZDUSSCGKSA-N 0 0 310.413 3.103 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000270869703 432296968 /nfs/dbraw/zinc/29/69/68/432296968.db2.gz JMIDBVGSHZFNFD-GOEBONIOSA-N 0 0 320.433 3.127 20 10 DGCDRN CCOCc1cc(CNCC(F)(F)C(F)F)ccc1OC ZINC000191773194 432299580 /nfs/dbraw/zinc/29/95/80/432299580.db2.gz ADPMNUVXNAELEZ-UHFFFAOYSA-N 0 0 309.303 3.222 20 10 DGCDRN C[C@@H]1CCC[C@H](C(=O)N2CCOc3cc(N(C)C)ccc32)C1 ZINC000173200441 432264157 /nfs/dbraw/zinc/26/41/57/432264157.db2.gz VEPMNRUVGSJKHP-KGLIPLIRSA-N 0 0 302.418 3.304 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000191479854 432268331 /nfs/dbraw/zinc/26/83/31/432268331.db2.gz NIWMHTPQCKCTHB-AMFBXLIHSA-N 0 0 311.784 3.232 20 10 DGCDRN CC[C@@H](Sc1ccccc1)C(=O)NCCc1ccc(N)cc1 ZINC000152532010 432337338 /nfs/dbraw/zinc/33/73/38/432337338.db2.gz AKENBOHNKFHCHX-QGZVFWFLSA-N 0 0 314.454 3.498 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](COCC)C(C)C ZINC000191816607 432305018 /nfs/dbraw/zinc/30/50/18/432305018.db2.gz QNAKXIYDKXSTNZ-MRXNPFEDSA-N 0 0 322.449 3.375 20 10 DGCDRN CC[C@H]1CCCC[C@@H]1OCC(=O)N(C)Cc1ccccc1O ZINC000184566246 432406420 /nfs/dbraw/zinc/40/64/20/432406420.db2.gz GZRJKJKJPJPILI-YOEHRIQHSA-N 0 0 305.418 3.336 20 10 DGCDRN CC(=O)c1ccccc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000174619836 432360423 /nfs/dbraw/zinc/36/04/23/432360423.db2.gz AFKTVVFDMOXBJG-UHFFFAOYSA-N 0 0 322.408 3.419 20 10 DGCDRN COC1(C(=O)N(C)Cc2ccc(N(C)C)cc2)CCCCC1 ZINC000184839470 432438077 /nfs/dbraw/zinc/43/80/77/432438077.db2.gz WVFYQAQBOTVZKA-UHFFFAOYSA-N 0 0 304.434 3.060 20 10 DGCDRN Cn1cnc(-c2cccc(NCc3cc(Cl)ccc3O)c2)n1 ZINC000153521094 432416855 /nfs/dbraw/zinc/41/68/55/432416855.db2.gz RSMXEQWVLUQQFE-UHFFFAOYSA-N 0 0 314.776 3.453 20 10 DGCDRN O=C(CCC1CCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000175267450 432418464 /nfs/dbraw/zinc/41/84/64/432418464.db2.gz KYUZKACRUPZEQY-KRWDZBQOSA-N 0 0 317.429 3.480 20 10 DGCDRN CC(C)c1nnc([C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)[nH]1 ZINC000271586609 432420726 /nfs/dbraw/zinc/42/07/26/432420726.db2.gz XOUQQNOJPFVACF-QWHCGFSZSA-N 0 0 301.438 3.406 20 10 DGCDRN Cc1cccc(CN(C)Cc2nccn2CC(F)(F)F)c1O ZINC000271710511 432421597 /nfs/dbraw/zinc/42/15/97/432421597.db2.gz GTJZQBSQUPPIRY-UHFFFAOYSA-N 0 0 313.323 3.091 20 10 DGCDRN COc1cc(O)c(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)cc1OC ZINC000271840656 432426707 /nfs/dbraw/zinc/42/67/07/432426707.db2.gz QPAOJLMUSFHOPL-DYVFJYSZSA-N 0 0 323.433 3.093 20 10 DGCDRN COc1ccc(O)c(C[NH2+][C@@H](C)[C@H](OC)c2ccc(F)cc2)c1 ZINC000271850138 432427088 /nfs/dbraw/zinc/42/70/88/432427088.db2.gz SWSOWQVVIZJRFY-SGTLLEGYSA-N 0 0 319.376 3.406 20 10 DGCDRN Cc1ccc(O)c([C@H](C)[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000185464139 432501938 /nfs/dbraw/zinc/50/19/38/432501938.db2.gz BWUFORWYRUTNCC-HOCLYGCPSA-N 0 0 324.424 3.436 20 10 DGCDRN C[C@@H]([NH2+]CCOc1ncccc1Cl)c1ccc(F)cc1[O-] ZINC000186106996 432559293 /nfs/dbraw/zinc/55/92/93/432559293.db2.gz WIYYGTDTWZAKGA-SNVBAGLBSA-N 0 0 310.756 3.309 20 10 DGCDRN C[C@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1ccc(F)cc1[O-] ZINC000186165597 432564776 /nfs/dbraw/zinc/56/47/76/432564776.db2.gz RWGBWUAYAHZEGV-SGTLLEGYSA-N 0 0 301.361 3.016 20 10 DGCDRN COc1ccc(COCC[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000185860927 432539954 /nfs/dbraw/zinc/53/99/54/432539954.db2.gz OZNMTSAWPPDWJD-ZDUSSCGKSA-N 0 0 319.376 3.407 20 10 DGCDRN CN(C)c1ccc(C[N@H+](C)Cc2ccc(N3CCCC3)nc2)cc1 ZINC000155182542 432541917 /nfs/dbraw/zinc/54/19/17/432541917.db2.gz AXLJLILGQVLRCR-UHFFFAOYSA-N 0 0 324.472 3.380 20 10 DGCDRN CCC[C@@]1(COC)CCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000195198064 432610830 /nfs/dbraw/zinc/61/08/30/432610830.db2.gz KSPMADURAZGFIH-SFHVURJKSA-N 0 0 323.433 3.191 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1csc([N+](=O)[O-])c1 ZINC000264073180 432613118 /nfs/dbraw/zinc/61/31/18/432613118.db2.gz LKZIKOOEJVMQFW-UHFFFAOYSA-N 0 0 320.370 3.414 20 10 DGCDRN CC(C)c1nnc(CN(Cc2ccc(N(C)C)cc2)C2CC2)o1 ZINC000263788277 432577531 /nfs/dbraw/zinc/57/75/31/432577531.db2.gz QESYFXWPBHQAFN-UHFFFAOYSA-N 0 0 314.433 3.424 20 10 DGCDRN Cc1ncc(/C=C/C(=O)N2CCOc3cccc(F)c32)s1 ZINC000157453044 432620189 /nfs/dbraw/zinc/62/01/89/432620189.db2.gz YWCJBYJWZVOBSU-AATRIKPKSA-N 0 0 304.346 3.029 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H](C)C3)ccc21 ZINC000264223161 432627528 /nfs/dbraw/zinc/62/75/28/432627528.db2.gz WJBQYETVDVBSIN-CYBMUJFWSA-N 0 0 314.429 3.387 20 10 DGCDRN CC(C)(C)c1csc(CNC(=O)NCc2ccccc2O)n1 ZINC000264266547 432631928 /nfs/dbraw/zinc/63/19/28/432631928.db2.gz GHLHDIXYJCAQNX-UHFFFAOYSA-N 0 0 319.430 3.146 20 10 DGCDRN Cc1cc(Br)cc([C@H](C)[NH2+]Cc2cnn(C)c2)c1O ZINC000187048958 432642836 /nfs/dbraw/zinc/64/28/36/432642836.db2.gz CRYYYLWBQBSHLG-JTQLQIEISA-N 0 0 324.222 3.047 20 10 DGCDRN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Cc1ccc(N)cc1 ZINC000159800142 432698331 /nfs/dbraw/zinc/69/83/31/432698331.db2.gz WMLROQMBRVZIOU-CZUORRHYSA-N 0 0 312.388 3.355 20 10 DGCDRN CC(C)c1nnc2n1CCN(Cc1ccc(N(C)C)cc1)[C@@H]2C ZINC000188449608 432724922 /nfs/dbraw/zinc/72/49/22/432724922.db2.gz OGSGPUNPDGSSPC-CQSZACIVSA-N 0 0 313.449 3.044 20 10 DGCDRN C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000276863154 432826505 /nfs/dbraw/zinc/82/65/05/432826505.db2.gz CUSZUTFHNAUYTG-XHDPSFHLSA-N 0 0 307.340 3.445 20 10 DGCDRN CC[C@@H](C)[C@H](C)C(=O)NCc1cccc(Br)c1O ZINC000277582083 432862100 /nfs/dbraw/zinc/86/21/00/432862100.db2.gz RMEMWLKHSCZWJB-ZJUUUORDSA-N 0 0 314.223 3.453 20 10 DGCDRN CC(C)(C)CC(=O)NCc1cccc(Br)c1O ZINC000277576162 432862273 /nfs/dbraw/zinc/86/22/73/432862273.db2.gz RCBKZOZVKRAACX-UHFFFAOYSA-N 0 0 300.196 3.207 20 10 DGCDRN CC[C@@H](C)[C@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277470772 432853898 /nfs/dbraw/zinc/85/38/98/432853898.db2.gz UVGTVHDGBXMNED-MNOVXSKESA-N 0 0 324.808 3.244 20 10 DGCDRN Cc1cccnc1CCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000296640960 432924021 /nfs/dbraw/zinc/92/40/21/432924021.db2.gz YBCGWGMPTADDSN-CYBMUJFWSA-N 0 0 315.373 3.287 20 10 DGCDRN CCCCN(Cc1ccccc1O)c1ncc([N+](=O)[O-])c(C)n1 ZINC000296750028 432925825 /nfs/dbraw/zinc/92/58/25/432925825.db2.gz KLJIAVRFRDWYSH-UHFFFAOYSA-N 0 0 316.361 3.206 20 10 DGCDRN C[C@@](O)(C[NH2+][C@H]1CCc2cccc(O)c21)c1ccc(F)cc1 ZINC000296877231 432934958 /nfs/dbraw/zinc/93/49/58/432934958.db2.gz OBRHNVPBDITBLP-MAUKXSAKSA-N 0 0 301.361 3.016 20 10 DGCDRN C[C@@H]([NH2+]Cc1nccn1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278629039 432898177 /nfs/dbraw/zinc/89/81/77/432898177.db2.gz GRRKBXGQPRLKIN-MRVPVSSYSA-N 0 0 300.189 3.283 20 10 DGCDRN C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1)c1ccc(F)cc1[O-] ZINC000289673072 432970579 /nfs/dbraw/zinc/97/05/79/432970579.db2.gz HIHNDBQICZQGGE-IRWQIABSSA-N 0 0 315.388 3.348 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)OC2CCOCC2)cc1F ZINC000289708107 432973562 /nfs/dbraw/zinc/97/35/62/432973562.db2.gz HVKUHALSICICOB-UHFFFAOYSA-N 0 0 324.396 3.077 20 10 DGCDRN CC/C(C)=C/C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000297212534 432974072 /nfs/dbraw/zinc/97/40/72/432974072.db2.gz SFXUJBASSXLGQT-WSYSLRRZSA-N 0 0 303.402 3.256 20 10 DGCDRN Cc1noc([C@H]2CCCCN2Cc2ccc(N(C)C)c(F)c2)n1 ZINC000289800598 432974291 /nfs/dbraw/zinc/97/42/91/432974291.db2.gz MTQJSKGFYFAFFT-MRXNPFEDSA-N 0 0 318.396 3.310 20 10 DGCDRN CC[N@H+](Cc1ccncc1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000289928089 432978656 /nfs/dbraw/zinc/97/86/56/432978656.db2.gz WGAUKJAOLWLVNY-UHFFFAOYSA-N 0 0 321.764 3.371 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1ccc(F)cc1[O-] ZINC000297267819 432984051 /nfs/dbraw/zinc/98/40/51/432984051.db2.gz KLXZQGYEZWSZHA-NVXWUHKLSA-N 0 0 321.367 3.315 20 10 DGCDRN COc1cccc(CNC(=O)[C@H](F)CC2CCCCC2)c1O ZINC000279720526 432990516 /nfs/dbraw/zinc/99/05/16/432990516.db2.gz BQFZQCDQYAELKO-CQSZACIVSA-N 0 0 309.381 3.326 20 10 DGCDRN COC(C)(C)CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000279696447 432991145 /nfs/dbraw/zinc/99/11/45/432991145.db2.gz IVARLZHQWGBUHF-UHFFFAOYSA-N 0 0 318.461 3.450 20 10 DGCDRN CCOCc1nc([C@@H](C)N[C@H](C)c2cc(C)ccc2O)no1 ZINC000290113711 432994842 /nfs/dbraw/zinc/99/48/42/432994842.db2.gz IWZZQKZJWYZALU-VXGBXAGGSA-N 0 0 305.378 3.032 20 10 DGCDRN Cc1noc(NCc2ccc(N(C)C)cc2C(F)(F)F)n1 ZINC000280031664 433000462 /nfs/dbraw/zinc/00/04/62/433000462.db2.gz LCUXILNXFHXAHA-UHFFFAOYSA-N 0 0 300.284 3.075 20 10 DGCDRN COc1cccc(CNC(=O)N[C@@H](C)CCC=C(C)C)c1O ZINC000298001972 433038556 /nfs/dbraw/zinc/03/85/56/433038556.db2.gz DDRHPFVVONFECW-ZDUSSCGKSA-N 0 0 306.406 3.335 20 10 DGCDRN Cc1ncc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(C2CC2)n1 ZINC000281322655 433287345 /nfs/dbraw/zinc/28/73/45/433287345.db2.gz SPSPBMJMZOPNHU-UHFFFAOYSA-N 0 0 324.428 3.001 20 10 DGCDRN Fc1cc(F)c(CNCc2ccc3c(c2)CCO3)c(F)c1F ZINC000281719746 433358597 /nfs/dbraw/zinc/35/85/97/433358597.db2.gz QOQZFUWXIJFWOO-UHFFFAOYSA-N 0 0 311.278 3.468 20 10 DGCDRN CCOc1cccc(C[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)c1O ZINC000375121014 433367178 /nfs/dbraw/zinc/36/71/78/433367178.db2.gz NBRBFIZCCMVNRR-MSOLQXFVSA-N 0 0 305.418 3.086 20 10 DGCDRN Cc1nsc(N(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000301382187 433528691 /nfs/dbraw/zinc/52/86/91/433528691.db2.gz ZWEVZCJOAVTPDV-UHFFFAOYSA-N 0 0 302.447 3.473 20 10 DGCDRN O=C1/C(=C/c2cnn3ccccc23)SC(=S)N1C1CCC1 ZINC000292283246 433534190 /nfs/dbraw/zinc/53/41/90/433534190.db2.gz ILYFXCBMDZRERG-JYRVWZFOSA-N 0 0 315.423 3.088 20 10 DGCDRN COc1cc(NCc2ccc(N(C)C)c(F)c2)ccc1[N+](=O)[O-] ZINC000301405262 433539897 /nfs/dbraw/zinc/53/98/97/433539897.db2.gz LFNAGXWKLAUYBP-UHFFFAOYSA-N 0 0 319.336 3.421 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)CC1CCOCC1 ZINC000282381186 433588448 /nfs/dbraw/zinc/58/84/48/433588448.db2.gz CTJUGQRIWAHDAV-UHFFFAOYSA-N 0 0 305.418 3.338 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)c1cccc(C2CCC2)c1 ZINC000282880339 433640917 /nfs/dbraw/zinc/64/09/17/433640917.db2.gz VJTNLJFEPYLYIQ-UHFFFAOYSA-N 0 0 311.381 3.338 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000282616004 433619757 /nfs/dbraw/zinc/61/97/57/433619757.db2.gz ZJWDDWBMMJBSFG-UHFFFAOYSA-N 0 0 318.329 3.336 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCCC12CCOCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000282702930 433624402 /nfs/dbraw/zinc/62/44/02/433624402.db2.gz KZKJKWRMFXFFNF-LRDDRELGSA-N 0 0 320.389 3.300 20 10 DGCDRN Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293797396 433871002 /nfs/dbraw/zinc/87/10/02/433871002.db2.gz BTYQILQSRRNAOS-CYBMUJFWSA-N 0 0 309.772 3.085 20 10 DGCDRN Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293797399 433872162 /nfs/dbraw/zinc/87/21/62/433872162.db2.gz BTYQILQSRRNAOS-ZDUSSCGKSA-N 0 0 309.772 3.085 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNc1ncn(-c2ccccc2)n1 ZINC000352535344 434042850 /nfs/dbraw/zinc/04/28/50/434042850.db2.gz PKXQPJSZECZEMX-UHFFFAOYSA-N 0 0 317.396 3.680 20 10 DGCDRN Cc1cc(CN(C)Cc2ncc(Cl)n2C)ccc1N(C)C ZINC000294372770 434109746 /nfs/dbraw/zinc/10/97/46/434109746.db2.gz BAYKQMULYVSHEL-UHFFFAOYSA-N 0 0 306.841 3.080 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)CSC3CC3)cc2)CC1 ZINC000294771157 434139828 /nfs/dbraw/zinc/13/98/28/434139828.db2.gz ZCLROIHQIMCKTP-UHFFFAOYSA-N 0 0 318.486 3.435 20 10 DGCDRN COc1ccc(N(C)Cc2nnc(C(C)C)s2)c(OC)c1 ZINC000295030867 434162899 /nfs/dbraw/zinc/16/28/99/434162899.db2.gz VQOZAIIAMDWGLG-UHFFFAOYSA-N 0 0 307.419 3.315 20 10 DGCDRN CC[C@@H](Sc1ncc(C(=O)OC)s1)C(=O)OC(C)(C)C ZINC000295368468 434327955 /nfs/dbraw/zinc/32/79/55/434327955.db2.gz SCRTVHHJTVVAPM-MRVPVSSYSA-N 0 0 317.432 3.142 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH+]1CCC(n2ccnc2)CC1 ZINC000295451310 434368228 /nfs/dbraw/zinc/36/82/28/434368228.db2.gz VFRRGUDLBONPHN-UHFFFAOYSA-N 0 0 309.772 3.218 20 10 DGCDRN COC(=O)c1cnc(S[C@@H](C)c2nc(C(C)C)no2)s1 ZINC000295414077 434353028 /nfs/dbraw/zinc/35/30/28/434353028.db2.gz XOSYSKULDTXUOY-ZETCQYMHSA-N 0 0 313.404 3.289 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@](O)(C3CC3)C2)cc1 ZINC000368473015 434574973 /nfs/dbraw/zinc/57/49/73/434574973.db2.gz CMLDMLLOASVBSK-FQEVSTJZSA-N 0 0 324.424 3.081 20 10 DGCDRN COc1ccc(N2CCC(Nc3ccc(F)nc3)CC2)cc1 ZINC000370084815 434607147 /nfs/dbraw/zinc/60/71/47/434607147.db2.gz ZDVNFQWZSUSNML-UHFFFAOYSA-N 0 0 301.365 3.310 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@]1(C)CC=CCC1 ZINC000410533466 434653100 /nfs/dbraw/zinc/65/31/00/434653100.db2.gz JLSPNEBYJHXIAF-GOSISDBHSA-N 0 0 300.402 3.224 20 10 DGCDRN COc1cc(O)c(CN2CCC[C@@H]2c2cc(C)on2)cc1OC ZINC000372391629 434820875 /nfs/dbraw/zinc/82/08/75/434820875.db2.gz FAHPWEZRTCULIY-CQSZACIVSA-N 0 0 318.373 3.043 20 10 DGCDRN CCN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])c1ncccc1C ZINC000492568864 435014748 /nfs/dbraw/zinc/01/47/48/435014748.db2.gz TURCTBTVZKGZNJ-KHPPLWFESA-N 0 0 311.341 3.365 20 10 DGCDRN O=C(/C=C\c1cccnc1)N1CCC[C@H](O)c2cc(F)ccc21 ZINC000492423961 434979326 /nfs/dbraw/zinc/97/93/26/434979326.db2.gz DSIFNDOHAFCEQI-AFCDSYGPSA-N 0 0 312.344 3.094 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C/c2ccc(C)nc2)c(OC)c1 ZINC000492476606 434991741 /nfs/dbraw/zinc/99/17/41/434991741.db2.gz SPTQHDCDHKRGTN-JXMROGBWSA-N 0 0 312.369 3.083 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C\c2ccc(C)nc2)cc1F ZINC000492505380 434999098 /nfs/dbraw/zinc/99/90/98/434999098.db2.gz QDEZPALRHCMBLT-TWGQIWQCSA-N 0 0 300.333 3.214 20 10 DGCDRN O=C(/C=C/c1cnccn1)N(Cc1ccccc1)c1ccncc1 ZINC000492896764 435069257 /nfs/dbraw/zinc/06/92/57/435069257.db2.gz LOEKGVLRWSQGAJ-VOTSOKGWSA-N 0 0 316.364 3.118 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)OCC(F)(F)F ZINC000492672831 435034261 /nfs/dbraw/zinc/03/42/61/435034261.db2.gz MBJRLTLDWJGQBF-UHFFFAOYSA-N 0 0 300.280 3.275 20 10 DGCDRN COCCN(C(=O)/C=C/c1scnc1C)c1ccccc1 ZINC000493306132 435146255 /nfs/dbraw/zinc/14/62/55/435146255.db2.gz UBCIWSRIFZNIIF-CMDGGOBGSA-N 0 0 302.399 3.144 20 10 DGCDRN COc1ccc2c(c1)c1c(n2CC(=O)NC(C)C)CCCC1 ZINC000649472450 435598990 /nfs/dbraw/zinc/59/89/90/435598990.db2.gz RPSBREWIYHDIRV-UHFFFAOYSA-N 0 0 300.402 3.053 20 10 DGCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@H](C)CF)CCCC1 ZINC000650035600 435794942 /nfs/dbraw/zinc/79/49/42/435794942.db2.gz WKCOKFFADSKTDJ-GFCCVEGCSA-N 0 0 318.392 3.003 20 10 DGCDRN O=C(/C=C\c1cncc(F)c1)N1CCc2cc(F)c(F)cc21 ZINC000491521680 435764938 /nfs/dbraw/zinc/76/49/38/435764938.db2.gz XFFWYWNWWDQKOA-UPHRSURJSA-N 0 0 304.271 3.101 20 10 DGCDRN C[S@@](=O)C1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCC1 ZINC000280618981 300878736 /nfs/dbraw/zinc/87/87/36/300878736.db2.gz KVKTVTMHIPYJSM-LJQANCHMSA-N 0 0 322.257 3.090 20 10 DGCDRN Cc1cccc(N(C)C(=O)/C=C\c2cnn(-c3ccccc3)c2)n1 ZINC000255424626 331740495 /nfs/dbraw/zinc/74/04/95/331740495.db2.gz DLXSJNOSMRUVSF-QXMHVHEDSA-N 0 0 318.380 3.252 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)c1cnn(C)c1 ZINC000073114184 331934989 /nfs/dbraw/zinc/93/49/89/331934989.db2.gz BDSCTDVATAHXDK-UHFFFAOYSA-N 0 0 314.414 3.166 20 10 DGCDRN CCN(C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])c1cccnc1 ZINC000104401889 336253599 /nfs/dbraw/zinc/25/35/99/336253599.db2.gz BVETUJUSPLNTSL-SOFGYWHQSA-N 0 0 315.304 3.195 20 10 DGCDRN COc1ccc(N2CCC(Nc3nc(C)cnc3C)CC2)cc1 ZINC000302205499 336353908 /nfs/dbraw/zinc/35/39/08/336353908.db2.gz CZSFQOJQXHJOEO-UHFFFAOYSA-N 0 0 312.417 3.183 20 10 DGCDRN CN(C(=O)/C=C/c1ccc(Cl)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000121080264 337885680 /nfs/dbraw/zinc/88/56/80/337885680.db2.gz RKHPKWRYLNRJIQ-YCRREMRBSA-N 0 0 317.732 3.319 20 10 DGCDRN O=C(/C=C\c1cncc(F)c1)N1C[C@H]2CCCN2c2ccccc21 ZINC000491531690 339865643 /nfs/dbraw/zinc/86/56/43/339865643.db2.gz HXKKDEPRHOKHQF-XITLMJRVSA-N 0 0 323.371 3.250 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1nn(C)c2ccccc21 ZINC000528823028 340735843 /nfs/dbraw/zinc/73/58/43/340735843.db2.gz DYQACJZGCJXWEK-UHFFFAOYSA-N 0 0 323.396 3.331 20 10 DGCDRN CSCCCN(C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000546670944 341178255 /nfs/dbraw/zinc/17/82/55/341178255.db2.gz NFWVFXFFFRGRJT-UHFFFAOYSA-N 0 0 319.474 3.381 20 10 DGCDRN CCN(C(=O)/C=C\c1cnc2ccccc2n1)c1cccnc1 ZINC000255003205 341496738 /nfs/dbraw/zinc/49/67/38/341496738.db2.gz GYICAJONVILPHD-KTKRTIGZSA-N 0 0 304.353 3.091 20 10 DGCDRN C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185639432 533892190 /nfs/dbraw/zinc/89/21/90/533892190.db2.gz TWYFLIYVLBGTQU-SDBXPKJASA-N 0 0 322.257 3.218 20 10 DGCDRN Cc1ccc(C(=O)NC2(c3nccs3)CCCC2)c(O)c1O ZINC000179503248 534262786 /nfs/dbraw/zinc/26/27/86/534262786.db2.gz VQEYVTDLWUYJJI-UHFFFAOYSA-N 0 0 318.398 3.062 20 10 DGCDRN Cc1ccnc(N(C)Cc2ccc(N(C)C)cc2)c1[N+](=O)[O-] ZINC000301310360 534394899 /nfs/dbraw/zinc/39/48/99/534394899.db2.gz ZJENADAXWIAZQD-UHFFFAOYSA-N 0 0 300.362 3.001 20 10 DGCDRN CC(C)(C)c1cnc(SCC(=O)NCC(F)(F)F)s1 ZINC000164073916 519076102 /nfs/dbraw/zinc/07/61/02/519076102.db2.gz IBOZDALQCQRUOB-UHFFFAOYSA-N 0 0 312.382 3.211 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CCCCO1 ZINC000267951516 519655418 /nfs/dbraw/zinc/65/54/18/519655418.db2.gz MOCUBFWXOCHLCJ-SFHVURJKSA-N 0 0 318.461 3.449 20 10 DGCDRN CC(C)COC[C@@H](O)CSc1ncc(-c2ccccc2)n1C ZINC000170697921 519757275 /nfs/dbraw/zinc/75/72/75/519757275.db2.gz HMSAWQMDPANHAF-OAHLLOKOSA-N 0 0 320.458 3.213 20 10 DGCDRN CC(C)c1cnc(NC(=O)NCCc2ccc(O)c(O)c2)s1 ZINC000192391252 519851808 /nfs/dbraw/zinc/85/18/08/519851808.db2.gz XSIQOAHGMQPVAJ-UHFFFAOYSA-N 0 0 321.402 3.042 20 10 DGCDRN Oc1ccccc1CN(C[C@@H]1CCCO1)c1ncncc1Cl ZINC000302643596 534456878 /nfs/dbraw/zinc/45/68/78/534456878.db2.gz LUTNRJHONUPFND-ZDUSSCGKSA-N 0 0 319.792 3.021 20 10 DGCDRN CCOCc1cc(CN[C@@H](C)C(=O)OC(C)(C)C)ccc1OC ZINC000178932661 520186118 /nfs/dbraw/zinc/18/61/18/520186118.db2.gz KDWQBTLRHQPPBJ-ZDUSSCGKSA-N 0 0 323.433 3.052 20 10 DGCDRN CCN(CC)c1ccc(CNCc2c(Cl)cnn2C)cc1 ZINC000189052369 520908219 /nfs/dbraw/zinc/90/82/19/520908219.db2.gz VMGUQTYSUQBDOK-UHFFFAOYSA-N 0 0 306.841 3.210 20 10 DGCDRN CCOc1ccc(O)c([C@H]2Nc3ccc(C)cc3C(=O)N2C)c1 ZINC000153686320 521155320 /nfs/dbraw/zinc/15/53/20/521155320.db2.gz FTOWDQLPNTZLKY-KRWDZBQOSA-N 0 0 312.369 3.296 20 10 DGCDRN CCOc1ccc(S(=O)(=O)Nc2ccc(O)cc2CC)cc1 ZINC000189430126 521210101 /nfs/dbraw/zinc/21/01/01/521210101.db2.gz JTHBAOUJJPBYEP-UHFFFAOYSA-N 0 0 321.398 3.154 20 10 DGCDRN CCC(CC)(CNC(=O)N(C)Cc1ccccc1O)SC ZINC000266853828 521433168 /nfs/dbraw/zinc/43/31/68/521433168.db2.gz ZXZDBRQFDLLMKE-UHFFFAOYSA-N 0 0 310.463 3.455 20 10 DGCDRN CCCc1csc(NC(=O)N(C)Cc2ccccc2O)n1 ZINC000180665867 521456178 /nfs/dbraw/zinc/45/61/78/521456178.db2.gz FXFAJRVVBGHCLO-UHFFFAOYSA-N 0 0 305.403 3.465 20 10 DGCDRN CCN(Cc1nnc(C(C)C)o1)c1ccc(OC)c(OC)c1 ZINC000263942960 521465404 /nfs/dbraw/zinc/46/54/04/521465404.db2.gz GBOXLNFIYIVZGW-UHFFFAOYSA-N 0 0 305.378 3.237 20 10 DGCDRN CCOc1ccccc1[C@H](CC)NC(=O)Cc1ccc(N)cc1 ZINC000236998978 521587363 /nfs/dbraw/zinc/58/73/63/521587363.db2.gz NLWGMQGXUPSHIM-KRWDZBQOSA-N 0 0 312.413 3.478 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCCSC1 ZINC000267296238 521688533 /nfs/dbraw/zinc/68/85/33/521688533.db2.gz JREVTYKICQHLIX-CQSZACIVSA-N 0 0 308.447 3.209 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCO[C@H](CC)C1 ZINC000183580533 521689290 /nfs/dbraw/zinc/68/92/90/521689290.db2.gz VTZORADGTJWKRB-GDBMZVCRSA-N 0 0 305.418 3.336 20 10 DGCDRN CCSCc1ccc(C(=O)NCCc2ccc(N)cc2)cc1 ZINC000236862290 521718309 /nfs/dbraw/zinc/71/83/09/521718309.db2.gz RMHKWKLXJFIMEP-UHFFFAOYSA-N 0 0 314.454 3.494 20 10 DGCDRN CCS[C@@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180847470 521723365 /nfs/dbraw/zinc/72/33/65/521723365.db2.gz RMWRRTTUYUTRDN-FSEJROPFSA-N 0 0 321.442 3.292 20 10 DGCDRN COCC[C@@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000266885277 521785493 /nfs/dbraw/zinc/78/54/93/521785493.db2.gz XLHDUWLMUBBOTR-OAHLLOKOSA-N 0 0 321.465 3.098 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCCCC(F)(F)F)cc1F ZINC000266579303 522196387 /nfs/dbraw/zinc/19/63/87/522196387.db2.gz UQKIFAIRNZACKP-UHFFFAOYSA-N 0 0 321.318 3.033 20 10 DGCDRN CCc1nc(C)c([C@H](C)N(C)C(=O)Cc2ccc(N)cc2)s1 ZINC000237031845 522226223 /nfs/dbraw/zinc/22/62/23/522226223.db2.gz YVGZGMFHMYVWGX-LBPRGKRZSA-N 0 0 317.458 3.358 20 10 DGCDRN COc1cc(N(C)Cc2ccccc2O)cc(OC)c1OC ZINC000180758375 522622738 /nfs/dbraw/zinc/62/27/38/522622738.db2.gz AAUBYHQBYLXJSL-UHFFFAOYSA-N 0 0 303.358 3.054 20 10 DGCDRN COc1cc(N(C)Cc2scnc2C)cc(OC)c1OC ZINC000180756798 522622783 /nfs/dbraw/zinc/62/27/83/522622783.db2.gz ATLQEJXRUWQTMS-UHFFFAOYSA-N 0 0 308.403 3.114 20 10 DGCDRN CC[C@H](Nc1ccc(OCC(=O)NC)cc1)c1ccccc1O ZINC000157757264 522770533 /nfs/dbraw/zinc/77/05/33/522770533.db2.gz ZTFKPLSLOGTINP-INIZCTEOSA-N 0 0 314.385 3.080 20 10 DGCDRN CC[C@@H](Oc1ccccc1C)C(=O)NCCc1ccc(N)cc1 ZINC000236882871 523058153 /nfs/dbraw/zinc/05/81/53/523058153.db2.gz DFNSCGQSZJNASP-QGZVFWFLSA-N 0 0 312.413 3.094 20 10 DGCDRN CN(Cc1ccccc1N1CCCC1)C(=O)Cc1ccc(N)cc1 ZINC000237161054 523372293 /nfs/dbraw/zinc/37/22/93/523372293.db2.gz MMISIYDHQNBIAT-UHFFFAOYSA-N 0 0 323.440 3.070 20 10 DGCDRN COC(=O)[C@@H](NCc1cc(F)ccc1O)c1cc(C)cc(C)c1 ZINC000189635488 523632124 /nfs/dbraw/zinc/63/21/24/523632124.db2.gz NYVGRWAVCJNYKS-KRWDZBQOSA-N 0 0 317.360 3.152 20 10 DGCDRN CCc1ccc(C(=O)CCC(=O)NCCc2ccc(N)cc2)cc1 ZINC000237132808 523878082 /nfs/dbraw/zinc/87/80/82/523878082.db2.gz OSPWDJDCQIVMAL-UHFFFAOYSA-N 0 0 324.424 3.153 20 10 DGCDRN Cc1cccc(C[C@@H](CO)[NH2+][C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000191612100 524466509 /nfs/dbraw/zinc/46/65/09/524466509.db2.gz QGXZKQDQEJJSGE-BBRMVZONSA-N 0 0 303.377 3.094 20 10 DGCDRN Cc1ccc(CNC(=O)Cc2ccc(N)cc2)c(OCC2CC2)c1 ZINC000237744281 524510640 /nfs/dbraw/zinc/51/06/40/524510640.db2.gz DXEKWFHNAZZICC-UHFFFAOYSA-N 0 0 324.424 3.225 20 10 DGCDRN COc1ccccc1[C@@H](C)CC(=O)NCCc1ccc(N)cc1 ZINC000152500322 524713858 /nfs/dbraw/zinc/71/38/58/524713858.db2.gz TUWCCRUOSSLQLA-AWEZNQCLSA-N 0 0 312.413 3.130 20 10 DGCDRN C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]2CCCC[C@@H]21 ZINC000180507654 524737852 /nfs/dbraw/zinc/73/78/52/524737852.db2.gz LQUBEQVKKWFFSM-HFSQDINGSA-N 0 0 301.386 3.148 20 10 DGCDRN COc1ccc(O)c(CN2C[C@@H](C)O[C@@H](c3ccsc3)C2)c1 ZINC000180546000 524744551 /nfs/dbraw/zinc/74/45/51/524744551.db2.gz CUKNEOWBLWULIO-SJKOYZFVSA-N 0 0 319.426 3.424 20 10 DGCDRN COc1ccc(O)c(CN2C[C@H](C)O[C@@H](c3ccsc3)C2)c1 ZINC000180546019 524749248 /nfs/dbraw/zinc/74/92/48/524749248.db2.gz CUKNEOWBLWULIO-YVEFUNNKSA-N 0 0 319.426 3.424 20 10 DGCDRN COc1ccc(O)c([C@H](C)Nc2ccc3c(c2)N(C)CCO3)c1 ZINC000186458389 524774753 /nfs/dbraw/zinc/77/47/53/524774753.db2.gz LTGDDRKCUAZTFT-LBPRGKRZSA-N 0 0 314.385 3.403 20 10 DGCDRN Cc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1C ZINC000152985179 525169496 /nfs/dbraw/zinc/16/94/96/525169496.db2.gz GXDMVKNVTWHCNE-ZDUSSCGKSA-N 0 0 314.385 3.467 20 10 DGCDRN COc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])cc1 ZINC000191194189 525377266 /nfs/dbraw/zinc/37/72/66/525377266.db2.gz AHRQGJOESOYABK-MEBBXXQBSA-N 0 0 323.339 3.063 20 10 DGCDRN C[S@](=O)C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])c1ccccc1 ZINC000182099807 525387511 /nfs/dbraw/zinc/38/75/11/525387511.db2.gz IJYKAEOPHJBUSM-VFNWGFHPSA-N 0 0 323.845 3.255 20 10 DGCDRN CSCCCCC(=O)NCc1ccc2c(c1)CCCN2C ZINC000151046271 525403225 /nfs/dbraw/zinc/40/32/25/525403225.db2.gz HYYOYGLMGSTJDK-UHFFFAOYSA-N 0 0 306.475 3.219 20 10 DGCDRN C[C@H](NCc1nncn1-c1ccccc1)c1ccc(N(C)C)cc1 ZINC000152642497 525493488 /nfs/dbraw/zinc/49/34/88/525493488.db2.gz XESVLEMQZOHSAN-HNNXBMFYSA-N 0 0 321.428 3.184 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccc(F)c(F)c1[O-] ZINC000191181680 525530752 /nfs/dbraw/zinc/53/07/52/525530752.db2.gz APDJNVCQKIHKQV-SECBINFHSA-N 0 0 307.296 3.250 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192966943 525630508 /nfs/dbraw/zinc/63/05/08/525630508.db2.gz QBLNGWAWOXVBRQ-KXUCPTDWSA-N 0 0 302.201 3.287 20 10 DGCDRN CS[C@@H]1CCCCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000153311619 525821173 /nfs/dbraw/zinc/82/11/73/525821173.db2.gz YPJLEVCNDALMTG-MRXNPFEDSA-N 0 0 321.490 3.180 20 10 DGCDRN CC(=O)C(=O)CSc1nc2c(n1-c1ccccc1)CCCC2 ZINC000289802062 526387588 /nfs/dbraw/zinc/38/75/88/526387588.db2.gz YNXUPMKGVKFWTL-UHFFFAOYSA-N 0 0 314.410 3.001 20 10 DGCDRN O=C(CCC(F)(F)F)NCc1ccc(N2CCCC2)cc1 ZINC000266251565 526392087 /nfs/dbraw/zinc/39/20/87/526392087.db2.gz JXKNNXJDFXMAQJ-UHFFFAOYSA-N 0 0 300.324 3.246 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1C[C@@H]2CCC[C@H]2C1 ZINC000121504483 526679520 /nfs/dbraw/zinc/67/95/20/526679520.db2.gz KDJVETJNFOKAFQ-IRXDYDNUSA-N 0 0 311.429 3.004 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000176485958 526681198 /nfs/dbraw/zinc/68/11/98/526681198.db2.gz VSZMBFDAYQYZAW-CALCHBBNSA-N 0 0 313.445 3.228 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)C1(c2ccccc2)CCCC1 ZINC000182546919 526686835 /nfs/dbraw/zinc/68/68/35/526686835.db2.gz MEMAPCLGBZWZGL-UHFFFAOYSA-N 0 0 311.381 3.226 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000159005608 526687320 /nfs/dbraw/zinc/68/73/20/526687320.db2.gz BRKQTIBWPQBOFZ-GHMZBOCLSA-N 0 0 317.307 3.083 20 10 DGCDRN Cc1nc(C)c(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)o1 ZINC000266827331 526691629 /nfs/dbraw/zinc/69/16/29/526691629.db2.gz MAMPOYRSEXKPDA-UHFFFAOYSA-N 0 0 313.401 3.162 20 10 DGCDRN Cc1nc(C)c([C@H](C)N(C)C(=O)c2cccc(O)c2O)s1 ZINC000188436509 526750955 /nfs/dbraw/zinc/75/09/55/526750955.db2.gz GHQHBCUCALQUCP-VIFPVBQESA-N 0 0 306.387 3.004 20 10 DGCDRN O=C1/C(=C\c2ccccn2)SC(=S)N1C(C1CC1)C1CC1 ZINC000265304718 526948254 /nfs/dbraw/zinc/94/82/54/526948254.db2.gz OZKGQZYUVQPXIV-UKTHLTGXSA-N 0 0 316.451 3.471 20 10 DGCDRN Cc1nc([C@H](C)NCc2ccc(N3CCOCC3)cc2)cs1 ZINC000264659547 527064105 /nfs/dbraw/zinc/06/41/05/527064105.db2.gz YNLQKNRGNDAHLV-ZDUSSCGKSA-N 0 0 317.458 3.139 20 10 DGCDRN O=[N+]([O-])c1cnc(Sc2nnc(C3CC3)n2C2CC2)s1 ZINC000190310424 527412353 /nfs/dbraw/zinc/41/23/53/527412353.db2.gz ROJBVJQNHLCCBG-UHFFFAOYSA-N 0 0 309.376 3.006 20 10 DGCDRN Nc1ccc(CCNC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000237946410 527481122 /nfs/dbraw/zinc/48/11/22/527481122.db2.gz PPIFSMMJTJJJRZ-ZBFHGGJFSA-N 0 0 316.351 3.009 20 10 DGCDRN Nc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1 ZINC000228391654 527482036 /nfs/dbraw/zinc/48/20/36/527482036.db2.gz VAYTXDYJYXOGJR-OLZOCXBDSA-N 0 0 300.324 3.254 20 10 DGCDRN Nc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1 ZINC000160351231 527491666 /nfs/dbraw/zinc/49/16/66/527491666.db2.gz QUFOXSPCUWEFSW-UHFFFAOYSA-N 0 0 308.381 3.359 20 10 DGCDRN OCC1CCN(c2ccc(CNc3ccc(F)cn3)cc2)CC1 ZINC000266010094 527529223 /nfs/dbraw/zinc/52/92/23/527529223.db2.gz NKLLABJZEILBMI-UHFFFAOYSA-N 0 0 315.392 3.042 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](Cc1ccccc1)C1CC1 ZINC000180797362 527615992 /nfs/dbraw/zinc/61/59/92/527615992.db2.gz OWBAEHYBEUXPJW-ZBZNSMLMSA-N 0 0 323.392 3.249 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Cc2ccc(O)cc2)cc1 ZINC000177311433 528300308 /nfs/dbraw/zinc/30/03/08/528300308.db2.gz MABKUKNHAOHDFS-UHFFFAOYSA-N 0 0 312.413 3.097 20 10 DGCDRN CCOc1cccc(CNc2cccc(N3CCC3=O)c2)c1O ZINC000280226321 535463867 /nfs/dbraw/zinc/46/38/67/535463867.db2.gz XHFVPEJWGGUQHJ-UHFFFAOYSA-N 0 0 312.369 3.140 20 10 DGCDRN CCCc1nc(CN(Cc2ccc(N(C)C)cc2)C2CC2)no1 ZINC000299101642 535520166 /nfs/dbraw/zinc/52/01/66/535520166.db2.gz SDGVUUCLDWJXMB-UHFFFAOYSA-N 0 0 314.433 3.253 20 10 DGCDRN CCN(C(=O)/C=C/c1cnccn1)c1ccc(Cl)c(F)c1 ZINC000493867572 535655319 /nfs/dbraw/zinc/65/53/19/535655319.db2.gz GPRCKGJTZRVXNV-ZZXKWVIFSA-N 0 0 305.740 3.335 20 10 DGCDRN CC[C@H](C)[C@H]1NC(=O)N(c2cc(Cl)c(N)c(Cl)c2)C1=O ZINC000278157891 536010780 /nfs/dbraw/zinc/01/07/80/536010780.db2.gz OZRZMTVOHMZJJW-UPONEAKYSA-N 0 0 316.188 3.047 20 10 DGCDRN CCc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)[nH]n1 ZINC000299055576 536103930 /nfs/dbraw/zinc/10/39/30/536103930.db2.gz NWUURYYWXLIZQG-UHFFFAOYSA-N 0 0 314.433 3.089 20 10 DGCDRN COCCc1ccnc(N[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000286955466 536832611 /nfs/dbraw/zinc/83/26/11/536832611.db2.gz BSAXWCBUQJKCGI-LBPRGKRZSA-N 0 0 302.374 3.158 20 10 DGCDRN COc1ccccc1CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273394853 537039948 /nfs/dbraw/zinc/03/99/48/537039948.db2.gz LPLLOTLZPUANIN-GFCCVEGCSA-N 0 0 316.357 3.202 20 10 DGCDRN CCO[C@@H](CC)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000731016841 574541519 /nfs/dbraw/zinc/54/15/19/574541519.db2.gz QDMKBOOQKJBEJK-SFHVURJKSA-N 0 0 318.461 3.354 20 10 DGCDRN CCCSCC(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000731346519 574547627 /nfs/dbraw/zinc/54/76/27/574547627.db2.gz LIXSPMXEROPQHY-UHFFFAOYSA-N 0 0 312.454 3.431 20 10 DGCDRN CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1cccc(O)c1O ZINC000731497097 574550753 /nfs/dbraw/zinc/55/07/53/574550753.db2.gz WSFWTSHSEBGCNI-HNNXBMFYSA-N 0 0 318.760 3.338 20 10 DGCDRN Cn1cc(/C=C\C(=O)N2CCCc3cc(Cl)cc(F)c32)cn1 ZINC000731585656 574552854 /nfs/dbraw/zinc/55/28/54/574552854.db2.gz JUJUFJWXJKVNRS-PLNGDYQASA-N 0 0 319.767 3.205 20 10 DGCDRN COc1ccc(CC[C@@H](C)NC(=O)C2=CC(=O)CS2)cc1 ZINC000731871127 574560495 /nfs/dbraw/zinc/56/04/95/574560495.db2.gz DPZKYMZUOHAHLI-LLVKDONJSA-N 0 0 305.399 3.213 20 10 DGCDRN O=C(NCc1ccc(C(F)(F)F)cc1)C1=CC(=O)CS1 ZINC000731866623 574561133 /nfs/dbraw/zinc/56/11/33/574561133.db2.gz XGPUKJHHAIFPPH-UHFFFAOYSA-N 0 0 301.289 3.403 20 10 DGCDRN O=C(Nc1ccc(NC(=O)C2CC2)cc1)C1=CC(=O)CS1 ZINC000731866485 574561137 /nfs/dbraw/zinc/56/11/37/574561137.db2.gz JJGZKOBLNQZWGW-UHFFFAOYSA-N 0 0 302.355 3.055 20 10 DGCDRN CC(C)c1cc(NCc2ccc(N3CCOCC3)cc2)ncn1 ZINC000731983872 574564177 /nfs/dbraw/zinc/56/41/77/574564177.db2.gz PTWAVYQTBJTMOZ-UHFFFAOYSA-N 0 0 312.417 3.049 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)C2=CC(=O)CS2)C2CC2)cc1 ZINC000732270071 574569565 /nfs/dbraw/zinc/56/95/65/574569565.db2.gz YWAMQYPKTZHMIB-UHFFFAOYSA-N 0 0 316.426 3.325 20 10 DGCDRN CN(C)[C@@H](CNC(=O)C1=CC(=O)CS1)c1ccccc1Cl ZINC000732257026 574570124 /nfs/dbraw/zinc/57/01/24/574570124.db2.gz BPKRCYIALDLRRH-ZDUSSCGKSA-N 0 0 324.833 3.140 20 10 DGCDRN O=C(N[C@H]1CCOc2c(Cl)cccc21)C1=CC(=O)CS1 ZINC000732276481 574570214 /nfs/dbraw/zinc/57/02/14/574570214.db2.gz RFCADIZGVQUWKC-NSHDSACASA-N 0 0 309.774 3.361 20 10 DGCDRN CCn1c(COC(=O)C2=CC(=O)CS2)nc2c1cccc2F ZINC000732352985 574572214 /nfs/dbraw/zinc/57/22/14/574572214.db2.gz JOWVKLNJNZAJRU-UHFFFAOYSA-N 0 0 320.345 3.319 20 10 DGCDRN CCN(C(=O)[C@@H](C)OC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000732354560 574572316 /nfs/dbraw/zinc/57/23/16/574572316.db2.gz VTPVKSYPDBDNAN-LLVKDONJSA-N 0 0 319.382 3.052 20 10 DGCDRN Cc1ccc(NC(=O)[C@@H](C)OC(=O)C2=CC(=O)CS2)cc1C ZINC000732354619 574572335 /nfs/dbraw/zinc/57/23/35/574572335.db2.gz ORLBZEJIIHJNEB-LLVKDONJSA-N 0 0 319.382 3.255 20 10 DGCDRN CCC[C@@H](C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000733132438 574599489 /nfs/dbraw/zinc/59/94/89/574599489.db2.gz MUYMZYLTUMLOMY-CQSZACIVSA-N 0 0 306.475 3.292 20 10 DGCDRN C[C@@H]1CC[C@H](NC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000733332518 574617133 /nfs/dbraw/zinc/61/71/33/574617133.db2.gz CYKNXJOXUGIAGV-KEYYUXOJSA-N 0 0 303.450 3.377 20 10 DGCDRN C[C@@H]1CC[C@H](NC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000733332516 574617155 /nfs/dbraw/zinc/61/71/55/574617155.db2.gz CYKNXJOXUGIAGV-CPUCHLNUSA-N 0 0 303.450 3.377 20 10 DGCDRN COc1ccc(O)c(CNC(=S)Nc2cc(C)ccc2F)c1 ZINC000733906408 574642653 /nfs/dbraw/zinc/64/26/53/574642653.db2.gz LPLDPTVZBFKOJU-UHFFFAOYSA-N 0 0 320.389 3.335 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccc(F)cc1 ZINC000734518371 574664439 /nfs/dbraw/zinc/66/44/39/574664439.db2.gz VKFHZLRIXIGAEJ-UHFFFAOYSA-N 0 0 315.392 3.200 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H]1C1CC1 ZINC000734687392 574672416 /nfs/dbraw/zinc/67/24/16/574672416.db2.gz YFOFWTKAYLSTGH-KRWDZBQOSA-N 0 0 301.434 3.145 20 10 DGCDRN CC(C)(C)c1ccc([C@H](O)CNC(=O)C2=CC(=O)CS2)cc1 ZINC000734868706 574680217 /nfs/dbraw/zinc/68/02/17/574680217.db2.gz JQPPSLQGAQFNLG-CQSZACIVSA-N 0 0 319.426 3.215 20 10 DGCDRN CCCC(C)(C)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000734943526 574683080 /nfs/dbraw/zinc/68/30/80/574683080.db2.gz WQHAAPMXDSPWDP-UHFFFAOYSA-N 0 0 303.450 3.447 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000734942819 574683110 /nfs/dbraw/zinc/68/31/10/574683110.db2.gz QFOPJQTYXSFJMS-SMDDNHRTSA-N 0 0 318.323 3.026 20 10 DGCDRN Cc1cc(Cl)cc2c1N(C(=O)/C=C\c1cnn(C)c1)CCC2 ZINC000735449574 574702442 /nfs/dbraw/zinc/70/24/42/574702442.db2.gz IFLFCSABRVACIO-WAYWQWQTSA-N 0 0 315.804 3.375 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2CSc3ccccc32)c1 ZINC000735509430 574704060 /nfs/dbraw/zinc/70/40/60/574704060.db2.gz ZRIYCUOFLDBRCX-CYBMUJFWSA-N 0 0 302.355 3.237 20 10 DGCDRN C[C@@H](CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1 ZINC000735518717 574705804 /nfs/dbraw/zinc/70/58/04/574705804.db2.gz JYORHUILQFLXKV-YOEHRIQHSA-N 0 0 317.429 3.336 20 10 DGCDRN COc1cccc(NC(=S)NNc2c(F)cccc2F)c1 ZINC000735625053 574710289 /nfs/dbraw/zinc/71/02/89/574710289.db2.gz DIDKPUBIXPNAPU-UHFFFAOYSA-N 0 0 309.341 3.287 20 10 DGCDRN CN(c1ccc(CNC(=O)c2ncccn2)cc1)C1CCCCC1 ZINC000735877743 574719349 /nfs/dbraw/zinc/71/93/49/574719349.db2.gz KNYSIPMKIUNZTA-UHFFFAOYSA-N 0 0 324.428 3.176 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C)CSC)cc1 ZINC000736405586 574748526 /nfs/dbraw/zinc/74/85/26/574748526.db2.gz OVSJEUURTFATPC-CQSZACIVSA-N 0 0 323.506 3.426 20 10 DGCDRN CCN(CC)c1ccc(C[N@H+](C)Cc2cc(C(=O)[O-])co2)cc1 ZINC000737087795 574822930 /nfs/dbraw/zinc/82/29/30/574822930.db2.gz CHHCEEWBRRMFBO-UHFFFAOYSA-N 0 0 316.401 3.456 20 10 DGCDRN COc1ccccc1[C@@H]1CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000738554718 574873103 /nfs/dbraw/zinc/87/31/03/574873103.db2.gz IOYXPFDMZJDMDZ-LLVKDONJSA-N 0 0 303.383 3.092 20 10 DGCDRN CCN(C(=O)NCc1ccc(N2CCCC2)cc1)C1CCC1 ZINC000738969106 574888010 /nfs/dbraw/zinc/88/80/10/574888010.db2.gz BAYJHRBCYWIEEC-UHFFFAOYSA-N 0 0 301.434 3.371 20 10 DGCDRN CCOc1ccc(N(C)C[C@@H](O)COc2cccc(C)c2)cc1 ZINC000740423936 574933552 /nfs/dbraw/zinc/93/35/52/574933552.db2.gz WWFQAJPAFWNHIC-QGZVFWFLSA-N 0 0 315.413 3.270 20 10 DGCDRN COc1cc(N(C)C[C@@H]2CC2(Cl)Cl)cc(OC)c1OC ZINC000741805324 574972126 /nfs/dbraw/zinc/97/21/26/574972126.db2.gz GESKBMDRJPTAMF-VIFPVBQESA-N 0 0 320.216 3.342 20 10 DGCDRN O=C(NCCCSc1nccs1)[C@H]1Cc2ccccc21 ZINC000742073668 574980605 /nfs/dbraw/zinc/98/06/05/574980605.db2.gz JOMRFMDSKPHGHU-ZDUSSCGKSA-N 0 0 304.440 3.081 20 10 DGCDRN CCOc1ccc([C@@H]2NC(=O)c3c(Cl)cccc3N2)c(O)c1 ZINC000742444437 575000439 /nfs/dbraw/zinc/00/04/39/575000439.db2.gz KTSSTUWKZCJCPR-HNNXBMFYSA-N 0 0 318.760 3.298 20 10 DGCDRN O=C(CC[C@@H]1CCCO1)NCc1ccc(N2CCCCC2)cc1 ZINC000742475522 575002121 /nfs/dbraw/zinc/00/21/21/575002121.db2.gz ONJMTXMESAZDQG-SFHVURJKSA-N 0 0 316.445 3.252 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(C(C)C)on2)c1 ZINC000743222367 575039378 /nfs/dbraw/zinc/03/93/78/575039378.db2.gz ZFPXLSYDWARPPT-JTQLQIEISA-N 0 0 319.361 3.395 20 10 DGCDRN CN(C(=O)C1=CC(=O)CS1)[C@H]1CCCN(c2ccccc2)C1 ZINC000743415851 575049734 /nfs/dbraw/zinc/04/97/34/575049734.db2.gz BTYZSLRHNVPKAK-AWEZNQCLSA-N 0 0 316.426 3.195 20 10 DGCDRN O=C([C@H]1CCCS1)N(Cc1ccco1)Cc1ccccc1O ZINC000743428669 575050957 /nfs/dbraw/zinc/05/09/57/575050957.db2.gz GZVUCZIBCRXSKN-MRXNPFEDSA-N 0 0 317.410 3.410 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@](C)(O)C(C)C ZINC000743713732 575062142 /nfs/dbraw/zinc/06/21/42/575062142.db2.gz VACQHQPSQUWLMN-QGZVFWFLSA-N 0 0 320.458 3.292 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@](C)(O)C(C)C ZINC000743713731 575062155 /nfs/dbraw/zinc/06/21/55/575062155.db2.gz VACQHQPSQUWLMN-KRWDZBQOSA-N 0 0 320.458 3.292 20 10 DGCDRN C[C@@H](CNC(=O)C1=CC(=O)CS1)Oc1cccc(Cl)c1 ZINC000743718343 575062159 /nfs/dbraw/zinc/06/21/59/575062159.db2.gz MPFVMMCJRDYUDN-VIFPVBQESA-N 0 0 311.790 3.304 20 10 DGCDRN Cc1ccc(N2CCC[C@H](NC(=O)C3=CC(=O)CS3)C2)cc1 ZINC000743718786 575062271 /nfs/dbraw/zinc/06/22/71/575062271.db2.gz RTHIFHFIJPDDPY-ZDUSSCGKSA-N 0 0 316.426 3.161 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2C3CCCC2CCC3)cc1 ZINC000743809919 575063924 /nfs/dbraw/zinc/06/39/24/575063924.db2.gz NCUHEVXIUAHRSF-UHFFFAOYSA-N 0 0 301.434 3.369 20 10 DGCDRN CC[C@]1(C)CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000743814045 575064345 /nfs/dbraw/zinc/06/43/45/575064345.db2.gz QBHXDBCXFXNKML-GOSISDBHSA-N 0 0 303.450 3.474 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)Cc2cc(C)ccc2C)c1 ZINC000728978206 575199102 /nfs/dbraw/zinc/19/91/02/575199102.db2.gz BTHUMKKUVMVYTF-AWEZNQCLSA-N 0 0 313.397 3.438 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc3c(c2)CCC3)c1 ZINC000728983721 575199211 /nfs/dbraw/zinc/19/92/11/575199211.db2.gz CXTJQQUDSPSKPR-LBPRGKRZSA-N 0 0 311.381 3.381 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Cc2c[nH]c3ccccc23)c1 ZINC000728983552 575199239 /nfs/dbraw/zinc/19/92/39/575199239.db2.gz BFPNQPBRIYPGFI-GFCCVEGCSA-N 0 0 324.380 3.302 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)CCc2ccsc2)c1 ZINC000728985326 575199281 /nfs/dbraw/zinc/19/92/81/575199281.db2.gz WMCKTUUZQJFAEP-NSHDSACASA-N 0 0 305.399 3.272 20 10 DGCDRN CCn1ccnc1CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000730081410 575274312 /nfs/dbraw/zinc/27/43/12/575274312.db2.gz ROCQJCMBVLMDHW-UHFFFAOYSA-N 0 0 300.450 3.380 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC000745819501 575418991 /nfs/dbraw/zinc/41/89/91/575418991.db2.gz DXSIMCAQQYGRHD-KCQAQPDRSA-N 0 0 318.417 3.169 20 10 DGCDRN CC[C@H]1C[C@@H](C)CN1C(=O)NCc1ccc(N(C)C)cc1C ZINC000745828749 575419123 /nfs/dbraw/zinc/41/91/23/575419123.db2.gz VCCRAYAUWOVVQE-CJNGLKHVSA-N 0 0 303.450 3.391 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H](C)[C@H]1C ZINC000745826395 575419275 /nfs/dbraw/zinc/41/92/75/575419275.db2.gz AHYHEQOSCWOCCO-UKRRQHHQSA-N 0 0 303.450 3.391 20 10 DGCDRN COc1cccc(CNC(=O)NCC[C@@H]2CCC[C@H](C)C2)c1O ZINC000745826695 575419315 /nfs/dbraw/zinc/41/93/15/575419315.db2.gz CFJVFFSTMBOGRT-KBPBESRZSA-N 0 0 320.433 3.416 20 10 DGCDRN COc1cccc(CNC(=O)NCC[C@H]2CCC[C@@H](C)C2)c1O ZINC000745826698 575419405 /nfs/dbraw/zinc/41/94/05/575419405.db2.gz CFJVFFSTMBOGRT-ZIAGYGMSSA-N 0 0 320.433 3.416 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H](C)[C@@H]1C ZINC000745826394 575419437 /nfs/dbraw/zinc/41/94/37/575419437.db2.gz AHYHEQOSCWOCCO-HIFRSBDPSA-N 0 0 303.450 3.391 20 10 DGCDRN CCN(CC(=O)N[C@@H](C)c1cccs1)c1ccc(OC)cc1 ZINC000746109972 575433205 /nfs/dbraw/zinc/43/32/05/575433205.db2.gz YJSSQQJAHRUQAZ-ZDUSSCGKSA-N 0 0 318.442 3.460 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)CCn2cccc2)C2CC2)cc1 ZINC000746117427 575433865 /nfs/dbraw/zinc/43/38/65/575433865.db2.gz CMXFYKODWCLIMD-UHFFFAOYSA-N 0 0 311.429 3.135 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)C(C)(C)O)c(C)n1-c1cccc(C)c1 ZINC000746334605 575447154 /nfs/dbraw/zinc/44/71/54/575447154.db2.gz SQFFRIALJSHBDX-HNNXBMFYSA-N 0 0 314.429 3.292 20 10 DGCDRN O=C(NCCc1nc2ccccc2s1)C1=CC(=O)CS1 ZINC000746411888 575452063 /nfs/dbraw/zinc/45/20/63/575452063.db2.gz UENZFELXTMWAIO-UHFFFAOYSA-N 0 0 304.396 3.036 20 10 DGCDRN COC(=O)/C=C\c1ccc(N(C)CCC2CC2)c([N+](=O)[O-])c1 ZINC000746715590 575471607 /nfs/dbraw/zinc/47/16/07/575471607.db2.gz CSWCTBSFTUXQLF-VURMDHGXSA-N 0 0 304.346 3.017 20 10 DGCDRN C[C@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C(C)(C)C1 ZINC000746755393 575473387 /nfs/dbraw/zinc/47/33/87/575473387.db2.gz PRQWBUAZMWTNSO-GFCCVEGCSA-N 0 0 307.413 3.222 20 10 DGCDRN Cn1cc(/C=C/C(=O)N2CC(C)(C)c3c2cccc3Cl)cn1 ZINC000746817570 575476629 /nfs/dbraw/zinc/47/66/29/575476629.db2.gz OAKGHSSBGLEZIM-BQYQJAHWSA-N 0 0 315.804 3.411 20 10 DGCDRN CC(C)[C@@H](C)N(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000746982629 575488137 /nfs/dbraw/zinc/48/81/37/575488137.db2.gz FKJQAMVHIYZYFR-CQSZACIVSA-N 0 0 303.450 3.255 20 10 DGCDRN CC[C@H]1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000746982600 575488159 /nfs/dbraw/zinc/48/81/59/575488159.db2.gz COPJQIXBCYRNLX-HNNXBMFYSA-N 0 0 315.461 3.401 20 10 DGCDRN CN(Cc1ccoc1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000746983042 575488387 /nfs/dbraw/zinc/48/83/87/575488387.db2.gz OTFDPCNJXWETSG-UHFFFAOYSA-N 0 0 313.401 3.004 20 10 DGCDRN Cc1cc(CCNC(=O)c2ccon2)c(C)n1-c1ccccc1 ZINC000747151738 575499332 /nfs/dbraw/zinc/49/93/32/575499332.db2.gz XYOPJFUHAOHTAZ-UHFFFAOYSA-N 0 0 309.369 3.055 20 10 DGCDRN CCC(CC)[C@@H](CCNC(=O)N(C)Cc1ccccc1O)OC ZINC000747455689 575518393 /nfs/dbraw/zinc/51/83/93/575518393.db2.gz HPUNMLQEZGZCAO-QGZVFWFLSA-N 0 0 322.449 3.375 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CCC2(C)C)cc1F ZINC000747583565 575525685 /nfs/dbraw/zinc/52/56/85/575525685.db2.gz ZRZIUVWMIXNMID-UHFFFAOYSA-N 0 0 307.413 3.366 20 10 DGCDRN COc1ccc2oc(C)c(C(=O)NCc3ccccc3O)c2c1 ZINC000748345035 575581456 /nfs/dbraw/zinc/58/14/56/575581456.db2.gz GILVIAAGRZOOTC-UHFFFAOYSA-N 0 0 311.337 3.385 20 10 DGCDRN Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1ccccc1O ZINC000748354349 575583202 /nfs/dbraw/zinc/58/32/02/575583202.db2.gz KMXWDRLWMYXADM-UHFFFAOYSA-N 0 0 321.380 3.125 20 10 DGCDRN COc1c(F)cc(NC(=O)NCc2ccccc2O)cc1F ZINC000748446993 575587401 /nfs/dbraw/zinc/58/74/01/575587401.db2.gz JAERIOUYKLEMER-UHFFFAOYSA-N 0 0 308.284 3.001 20 10 DGCDRN Cc1cc(NC(=O)NCc2ccc(N3CCCC3)cc2)sn1 ZINC000749230506 575637037 /nfs/dbraw/zinc/63/70/37/575637037.db2.gz ANPDMYBYPXIWRY-UHFFFAOYSA-N 0 0 316.430 3.373 20 10 DGCDRN CCCC(O)(CCC)CC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000749238546 575638192 /nfs/dbraw/zinc/63/81/92/575638192.db2.gz CTGJREWPINMXKN-ZDUSSCGKSA-N 0 0 323.433 3.299 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)C(F)(F)C(F)F)C2CC2)cc1 ZINC000749340967 575646037 /nfs/dbraw/zinc/64/60/37/575646037.db2.gz DJBDVLPIBWNIQA-UHFFFAOYSA-N 0 0 318.314 3.144 20 10 DGCDRN COCCN(C)C(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000749350167 575647151 /nfs/dbraw/zinc/64/71/51/575647151.db2.gz DJCAFDUEKVHVSR-UHFFFAOYSA-N 0 0 314.429 3.429 20 10 DGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)C(F)(F)C(F)F ZINC000749364828 575648146 /nfs/dbraw/zinc/64/81/46/575648146.db2.gz MOJZHIAIRGZOCU-UHFFFAOYSA-N 0 0 318.314 3.194 20 10 DGCDRN CCC[C@H](O)CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000750234762 575713191 /nfs/dbraw/zinc/71/31/91/575713191.db2.gz WSKQGKZKSBUAEK-KRWDZBQOSA-N 0 0 306.450 3.041 20 10 DGCDRN CCSc1ccccc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000750792435 575752509 /nfs/dbraw/zinc/75/25/09/575752509.db2.gz ZUGWMYIEWQZNND-UHFFFAOYSA-N 0 0 317.410 3.182 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cn2ccc(C)cc2n1 ZINC000750861311 575756458 /nfs/dbraw/zinc/75/64/58/575756458.db2.gz CRQVAPJVKFWREF-UHFFFAOYSA-N 0 0 323.396 3.401 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1ccccn1 ZINC000751299593 575778960 /nfs/dbraw/zinc/77/89/60/575778960.db2.gz NQGWQFAUVOUYNV-UHFFFAOYSA-N 0 0 315.336 3.044 20 10 DGCDRN CC[C@@H](NC(=O)c1ccc(C)c(O)c1O)c1ccc(OC)cc1 ZINC000751530585 575789013 /nfs/dbraw/zinc/78/90/13/575789013.db2.gz OUXHKOHIVSNJOU-OAHLLOKOSA-N 0 0 315.369 3.296 20 10 DGCDRN Cc1ccc(C(=O)NCC2(c3ccccc3)CCC2)c(O)c1O ZINC000751533193 575789641 /nfs/dbraw/zinc/78/96/41/575789641.db2.gz MIHPQRTWWDKOMH-UHFFFAOYSA-N 0 0 311.381 3.258 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCC[C@@H]1CCOC1 ZINC000752393053 575835503 /nfs/dbraw/zinc/83/55/03/575835503.db2.gz MRYOHJCRCCVNSO-CQSZACIVSA-N 0 0 318.442 3.312 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccn1 ZINC000725849117 575930091 /nfs/dbraw/zinc/93/00/91/575930091.db2.gz HVJCXZDIYMOMBS-VIFPVBQESA-N 0 0 307.737 3.200 20 10 DGCDRN C[C@H](Cc1cnccn1)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000725849768 575931702 /nfs/dbraw/zinc/93/17/02/575931702.db2.gz XFZVDRHYNUJLQO-SECBINFHSA-N 0 0 312.200 3.210 20 10 DGCDRN Cn1cc(/C=C/C(=O)N(Cc2ccsc2)c2cccnc2)cn1 ZINC000726369551 576019866 /nfs/dbraw/zinc/01/98/66/576019866.db2.gz XPNOZGQHRIBSEP-SNAWJCMRSA-N 0 0 324.409 3.123 20 10 DGCDRN CN(CCCNC(=S)Nc1ccc(O)cc1)c1ccccc1 ZINC000726434854 576022125 /nfs/dbraw/zinc/02/21/25/576022125.db2.gz JNJMVXWFDVJWKM-UHFFFAOYSA-N 0 0 315.442 3.205 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)N([C@H](C)C2CC2)C2CC2)cc1 ZINC000739926683 576053152 /nfs/dbraw/zinc/05/31/52/576053152.db2.gz JWTDTNVLDHMLTB-CQSZACIVSA-N 0 0 316.445 3.311 20 10 DGCDRN Cc1ccc(C(=O)OCc2ccc(OC(F)F)cc2)c(O)c1O ZINC000727004848 576093568 /nfs/dbraw/zinc/09/35/68/576093568.db2.gz WLAFBJSRXMXMTN-UHFFFAOYSA-N 0 0 324.279 3.365 20 10 DGCDRN CC[C@@H](C)Oc1cc(C=C2SC(=S)NC2=O)ccc1OC ZINC000749452934 576095759 /nfs/dbraw/zinc/09/57/59/576095759.db2.gz QMZOPILILVUZPV-TVNQGELYSA-N 0 0 323.439 3.361 20 10 DGCDRN CCC(=O)COC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000727181523 576111337 /nfs/dbraw/zinc/11/13/37/576111337.db2.gz GHEHREKMJXJWJN-UHFFFAOYSA-N 0 0 315.369 3.239 20 10 DGCDRN CC[C@@H](COC)NC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000738502071 576186591 /nfs/dbraw/zinc/18/65/91/576186591.db2.gz AKKGYOHAAJOPCM-INIZCTEOSA-N 0 0 321.465 3.099 20 10 DGCDRN COc1ccc(C)cc1CNC(=O)N(C)Cc1ccccc1O ZINC000916600755 620638048 /nfs/dbraw/zinc/63/80/48/620638048.db2.gz GLEHEQBDDFBGJB-UHFFFAOYSA-N 0 0 314.385 3.051 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCC[C@@H](O)C2)cc1 ZINC000917341442 620665211 /nfs/dbraw/zinc/66/52/11/620665211.db2.gz SKCBLEKRGHVNHB-FUHWJXTLSA-N 0 0 312.413 3.127 20 10 DGCDRN Cc1nccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000917392437 620667258 /nfs/dbraw/zinc/66/72/58/620667258.db2.gz WXUBKSSQOIEVHF-UHFFFAOYSA-N 0 0 324.428 3.048 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000917504036 620671203 /nfs/dbraw/zinc/67/12/03/620671203.db2.gz ZPJHXWRILCNQKE-DZGCQCFKSA-N 0 0 318.442 3.453 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@H](CCF)C2)cc1 ZINC000853244418 620681759 /nfs/dbraw/zinc/68/17/59/620681759.db2.gz LVNMZVFVQLSVKR-OAHLLOKOSA-N 0 0 307.413 3.034 20 10 DGCDRN C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+](C)Cc1ccccc1O ZINC000111235929 620685053 /nfs/dbraw/zinc/68/50/53/620685053.db2.gz OUVNTVASHQBXAA-CABCVRRESA-N 0 0 324.424 3.190 20 10 DGCDRN OCc1cc(N2CC=C(c3ccc(Cl)nc3)CC2)ncc1F ZINC000853468191 620697913 /nfs/dbraw/zinc/69/79/13/620697913.db2.gz PTJTUMRTAMMSRW-UHFFFAOYSA-N 0 0 319.767 3.055 20 10 DGCDRN Cc1cc(C)cc(C(=O)Nc2cccc(N3CCOCC3)c2)c1 ZINC000918374283 620706012 /nfs/dbraw/zinc/70/60/12/620706012.db2.gz AFGIRSGEFGYWLV-UHFFFAOYSA-N 0 0 310.397 3.392 20 10 DGCDRN COCCN(CCF)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000853549070 620708922 /nfs/dbraw/zinc/70/89/22/620708922.db2.gz ZXMOMSQSXOTDND-UHFFFAOYSA-N 0 0 313.413 3.116 20 10 DGCDRN Cc1cc(C)c(O)c(CN2CCO[C@@H](C(F)(F)F)[C@H]2C)c1 ZINC000853572616 620710831 /nfs/dbraw/zinc/71/08/31/620710831.db2.gz RFGGRLWGQNHPSA-BXUZGUMPSA-N 0 0 303.324 3.161 20 10 DGCDRN COc1ccc(N2CC[C@H](Nc3ccc([N+](=O)[O-])s3)C2)cc1 ZINC000853758168 620734498 /nfs/dbraw/zinc/73/44/98/620734498.db2.gz AVOATTSSUWMFLG-NSHDSACASA-N 0 0 319.386 3.356 20 10 DGCDRN COc1ccc(N2CC[C@H](Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000853758717 620734551 /nfs/dbraw/zinc/73/45/51/620734551.db2.gz JREGKOQZMYXUNA-ZDUSSCGKSA-N 0 0 313.357 3.294 20 10 DGCDRN CCc1cc(N[C@H]2CCN(c3ccc(OC)cc3)C2)nc(C)n1 ZINC000853758354 620734309 /nfs/dbraw/zinc/73/43/09/620734309.db2.gz CQQDNHRBRMIKGU-HNNXBMFYSA-N 0 0 312.417 3.047 20 10 DGCDRN COc1ccc(N2CC[C@H](Nc3nc(C)c(C)s3)C2)cc1 ZINC000853758922 620734377 /nfs/dbraw/zinc/73/43/77/620734377.db2.gz MYKPRGHZAMRSAI-ZDUSSCGKSA-N 0 0 303.431 3.459 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1C[C@@H]2CCCC[C@@H]21 ZINC000853776590 620736937 /nfs/dbraw/zinc/73/69/37/620736937.db2.gz RVDYIVMTJJZDEM-WMZOPIPTSA-N 0 0 311.429 3.147 20 10 DGCDRN CC[C@H]([NH2+][C@H](C)c1nnnn1C1CC1)c1cccc(Cl)c1[O-] ZINC000806161953 617632252 /nfs/dbraw/zinc/63/22/52/617632252.db2.gz PSUSJKMNNIKJIK-RNCFNFMXSA-N 0 0 321.812 3.169 20 10 DGCDRN CC[C@@H]([NH2+][C@H](C)c1nnnn1C1CC1)c1cccc(Cl)c1[O-] ZINC000806161952 617632285 /nfs/dbraw/zinc/63/22/85/617632285.db2.gz PSUSJKMNNIKJIK-NOZJJQNGSA-N 0 0 321.812 3.169 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1csc(C2CC2)n1 ZINC000890757973 617656018 /nfs/dbraw/zinc/65/60/18/617656018.db2.gz PAYZOJKLGRUWAD-UHFFFAOYSA-N 0 0 308.790 3.310 20 10 DGCDRN Cc1noc(C2CC2)c1C(=O)NCc1cccc(Cl)c1O ZINC000890759536 617656441 /nfs/dbraw/zinc/65/64/41/617656441.db2.gz NDRKYGXMMMHPJO-UHFFFAOYSA-N 0 0 306.749 3.149 20 10 DGCDRN CC(=O)[C@@H]1C[C@H](CC(=O)NCc2cccc(Cl)c2O)C1(C)C ZINC000890759735 617656460 /nfs/dbraw/zinc/65/64/60/617656460.db2.gz PTDGQZSEHSZPFV-OLZOCXBDSA-N 0 0 323.820 3.303 20 10 DGCDRN Cc1[nH]nc(C(C)C)c1C(=O)NCc1cccc(Cl)c1O ZINC000890760141 617656533 /nfs/dbraw/zinc/65/65/33/617656533.db2.gz JNTIXOLVDKFKBM-UHFFFAOYSA-N 0 0 307.781 3.131 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000890761264 617657005 /nfs/dbraw/zinc/65/70/05/617657005.db2.gz OCLBNIKHQUUJCC-VNQPRFMTSA-N 0 0 313.784 3.248 20 10 DGCDRN Cc1ncsc1CCC(=O)NCc1cccc(Cl)c1O ZINC000890761013 617657369 /nfs/dbraw/zinc/65/73/69/617657369.db2.gz IHKNASNGJXKVEY-UHFFFAOYSA-N 0 0 310.806 3.060 20 10 DGCDRN CC(C)(C(=O)NCc1cccc(Cl)c1O)c1nccs1 ZINC000890762820 617658531 /nfs/dbraw/zinc/65/85/31/617658531.db2.gz JUTWXJSZRCXAJF-UHFFFAOYSA-N 0 0 310.806 3.096 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@]12CCO[C@H]1CCCC2 ZINC000890763499 617658985 /nfs/dbraw/zinc/65/89/85/617658985.db2.gz XABPBDKSVXTGGK-XJKSGUPXSA-N 0 0 309.793 3.011 20 10 DGCDRN CC(C)(C)CC(=O)NCc1cc(Br)ccc1O ZINC000804737968 617662411 /nfs/dbraw/zinc/66/24/11/617662411.db2.gz XNPZSZOIZBGQNW-UHFFFAOYSA-N 0 0 300.196 3.207 20 10 DGCDRN O=C(NCc1cc(Br)ccc1O)c1ccccc1 ZINC000804738679 617662559 /nfs/dbraw/zinc/66/25/59/617662559.db2.gz ZKHCJHKLJONTNC-UHFFFAOYSA-N 0 0 306.159 3.085 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NCC[C@@H]2C[C@H]2C2CC2)cc1 ZINC000924329348 617705053 /nfs/dbraw/zinc/70/50/53/617705053.db2.gz UWYBQMHIFYCXAX-AEFFLSMTSA-N 0 0 315.461 3.330 20 10 DGCDRN CC[C@@H](C)N(CC)C(=O)NCCCSc1nccs1 ZINC000853855838 620746279 /nfs/dbraw/zinc/74/62/79/620746279.db2.gz HXDHYZHVWJYMRN-LLVKDONJSA-N 0 0 301.481 3.455 20 10 DGCDRN CC1(C)CN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]2CCC[C@@H]21 ZINC000891165335 617739627 /nfs/dbraw/zinc/73/96/27/617739627.db2.gz JIQXQJJCAASRQH-UONOGXRCSA-N 0 0 314.389 3.500 20 10 DGCDRN C/C(=C\C(=O)N(CC(C)(C)C)c1ccccn1)c1cnccn1 ZINC000891492116 617814212 /nfs/dbraw/zinc/81/42/12/617814212.db2.gz FGTVHZYMBGQQHK-SDNWHVSQSA-N 0 0 310.401 3.354 20 10 DGCDRN C[C@H](NC(=O)N1C[C@@H]2CCCC[C@@H]21)c1ccc(N(C)C)cc1 ZINC000854004159 620761185 /nfs/dbraw/zinc/76/11/85/620761185.db2.gz OSEGTJRWWUDYQZ-QRTARXTBSA-N 0 0 301.434 3.398 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCC[C@@H]2CC[C@H]3C[C@H]32)c1 ZINC000924387977 617923858 /nfs/dbraw/zinc/92/38/58/617923858.db2.gz NURSYXOBATVTPP-QCQGSNGOSA-N 0 0 318.417 3.197 20 10 DGCDRN CCCCS(=O)(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000919725082 620763394 /nfs/dbraw/zinc/76/33/94/620763394.db2.gz SZXZUHQDYFMMLX-UHFFFAOYSA-N 0 0 312.479 3.095 20 10 DGCDRN NC(=O)Nc1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000919749400 620764332 /nfs/dbraw/zinc/76/43/32/620764332.db2.gz RYEZYDHQHMRXRF-UHFFFAOYSA-N 0 0 324.384 3.030 20 10 DGCDRN COc1ccc(NCc2ccc(OC)c(OC)c2O)c(OC)c1 ZINC000892250721 617994567 /nfs/dbraw/zinc/99/45/67/617994567.db2.gz JUGNGDSSCLWZNQ-UHFFFAOYSA-N 0 0 319.357 3.039 20 10 DGCDRN Nc1ccc(Cc2noc(CC[C@@H]3CC3(Cl)Cl)n2)cc1 ZINC000854135040 620772928 /nfs/dbraw/zinc/77/29/28/620772928.db2.gz WHODYCXPKWBMLP-SNVBAGLBSA-N 0 0 312.200 3.369 20 10 DGCDRN COc1ccc(F)c(NCc2ccc(OC)c(OC)c2O)c1 ZINC000892303667 618013858 /nfs/dbraw/zinc/01/38/58/618013858.db2.gz MTSMKOQZRCSGSV-UHFFFAOYSA-N 0 0 307.321 3.169 20 10 DGCDRN Cc1cc(Br)ccc1NC(=O)c1cccc(O)c1O ZINC000126171123 618030807 /nfs/dbraw/zinc/03/08/07/618030807.db2.gz IIWWZGMIQYXWAU-UHFFFAOYSA-N 0 0 322.158 3.421 20 10 DGCDRN COCCCOc1ccccc1NCc1nccn1C1CC1 ZINC000892347082 618038187 /nfs/dbraw/zinc/03/81/87/618038187.db2.gz UBGHJLPFRYPJCI-UHFFFAOYSA-N 0 0 301.390 3.245 20 10 DGCDRN Cc1ccc([C@@H](C)NCc2nccc(C(F)(F)F)n2)c(O)c1 ZINC000840870194 618042651 /nfs/dbraw/zinc/04/26/51/618042651.db2.gz VJWFZZURGQUMLU-SNVBAGLBSA-N 0 0 311.307 3.360 20 10 DGCDRN COCC1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000840876663 618054038 /nfs/dbraw/zinc/05/40/38/618054038.db2.gz RSDBRHGCJSNKQN-PNESKVBLSA-N 0 0 308.378 3.156 20 10 DGCDRN CCO[C@@H](CC)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000919976954 620774622 /nfs/dbraw/zinc/77/46/22/620774622.db2.gz XISAUTNZXPPVMA-KRWDZBQOSA-N 0 0 306.450 3.306 20 10 DGCDRN O=C(NCCC1CCC(F)(F)CC1)NCc1ccccc1O ZINC000892527821 618099781 /nfs/dbraw/zinc/09/97/81/618099781.db2.gz XYCGDJVWZLCAMO-UHFFFAOYSA-N 0 0 312.360 3.407 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000840881660 618107223 /nfs/dbraw/zinc/10/72/23/618107223.db2.gz PHIJIAKMYLBVJQ-GUYCJALGSA-N 0 0 321.367 3.487 20 10 DGCDRN O=C(Nc1cccc(N2CCOCC2)c1)c1cccc2c1CCC2 ZINC000920036314 620778551 /nfs/dbraw/zinc/77/85/51/620778551.db2.gz GFCCUAWYTYJKFJ-UHFFFAOYSA-N 0 0 322.408 3.264 20 10 DGCDRN CCn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cn1 ZINC000111998295 620779262 /nfs/dbraw/zinc/77/92/62/620779262.db2.gz JJAFLCXEQGPWOQ-JYRVWZFOSA-N 0 0 315.423 3.309 20 10 DGCDRN CC[C@@H](C)N(CC)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854295793 620792157 /nfs/dbraw/zinc/79/21/57/620792157.db2.gz CEVPMVACNGYJKK-HUUCEWRRSA-N 0 0 319.449 3.104 20 10 DGCDRN CN(C)c1ccc(/C=C/C[N@H+](CC(=O)[O-])CC(C)(C)C)cc1 ZINC000854244087 620787889 /nfs/dbraw/zinc/78/78/89/620787889.db2.gz PAUPLXHHPGJJMK-VOTSOKGWSA-N 0 0 304.434 3.199 20 10 DGCDRN COc1ccc(F)cc1C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894495533 618357651 /nfs/dbraw/zinc/35/76/51/618357651.db2.gz PEBZSCSHOBPEJX-UHFFFAOYSA-N 0 0 305.349 3.147 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ncccc1F ZINC000854373482 620798774 /nfs/dbraw/zinc/79/87/74/620798774.db2.gz GSVIISFWNASULQ-UHFFFAOYSA-N 0 0 302.349 3.369 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000894779607 618455060 /nfs/dbraw/zinc/45/50/60/618455060.db2.gz JOMOWKGADABWTD-STQMWFEESA-N 0 0 311.372 3.309 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000894793798 618462337 /nfs/dbraw/zinc/46/23/37/618462337.db2.gz IWQQSMGBEFODSE-ZBFHGGJFSA-N 0 0 309.356 3.204 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)N[C@@H]1CCCC1(F)F ZINC000894862313 618481794 /nfs/dbraw/zinc/48/17/94/618481794.db2.gz HBNMNFKWYWDPEP-SNVBAGLBSA-N 0 0 304.724 3.033 20 10 DGCDRN C[C@@H]1C[C@H]([N@H+](C)Cc2cc(Cl)cc(F)c2[O-])CCN1C ZINC000775717205 618516908 /nfs/dbraw/zinc/51/69/08/618516908.db2.gz NOHBLMFXBGAEGZ-ZWNOBZJWSA-N 0 0 300.805 3.099 20 10 DGCDRN COC(=O)CN(Cc1ccoc1C)Cc1cc(Cl)ccc1O ZINC000840917148 618529438 /nfs/dbraw/zinc/52/94/38/618529438.db2.gz FPZFFJJVWUYUHN-UHFFFAOYSA-N 0 0 323.776 3.122 20 10 DGCDRN COc1ccc2c(c1)CCCN2[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000893451595 618560397 /nfs/dbraw/zinc/56/03/97/618560397.db2.gz RVIGZLQHYMFALY-RDJZCZTQSA-N 0 0 321.392 3.082 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)N[C@@H]1CCCC[C@H]1F ZINC000895369625 618603933 /nfs/dbraw/zinc/60/39/33/618603933.db2.gz CEYLVJVGAFXJBP-VXGBXAGGSA-N 0 0 300.761 3.126 20 10 DGCDRN COc1ccc(N(C)Cc2c(Cl)c(C)nn2C)cc1OC ZINC000893573629 618609860 /nfs/dbraw/zinc/60/98/60/618609860.db2.gz OYLIZWRFJSJJOJ-UHFFFAOYSA-N 0 0 309.797 3.036 20 10 DGCDRN CC(C)N(CC1CC1)C(=O)NCCCSc1nccs1 ZINC000893645745 618629499 /nfs/dbraw/zinc/62/94/99/618629499.db2.gz MCLMJYKIQPUEFD-UHFFFAOYSA-N 0 0 313.492 3.455 20 10 DGCDRN COc1ccc(CNc2cnn([C@H](C)C3CC3)c2)c(O)c1OC ZINC000893701351 618643373 /nfs/dbraw/zinc/64/33/73/618643373.db2.gz YCNCBVSJPZHACB-LLVKDONJSA-N 0 0 317.389 3.189 20 10 DGCDRN COc1ccc(NCc2cc(C)cc(OC)c2O)c(OC)c1 ZINC000894097244 618709467 /nfs/dbraw/zinc/70/94/67/618709467.db2.gz HKALOGPWVZDVLX-UHFFFAOYSA-N 0 0 303.358 3.339 20 10 DGCDRN COCCOc1ccc(NCc2cc(C)cc(OC)c2O)cc1 ZINC000894104163 618711199 /nfs/dbraw/zinc/71/11/99/618711199.db2.gz OHOLAHDUAAIRIE-UHFFFAOYSA-N 0 0 317.385 3.347 20 10 DGCDRN COc1cc(OC)c(NCc2cc(C)cc(OC)c2O)cc1F ZINC000894131363 618717247 /nfs/dbraw/zinc/71/72/47/618717247.db2.gz NEIRCXRDXKEXOZ-UHFFFAOYSA-N 0 0 321.348 3.478 20 10 DGCDRN COc1cc(C)cc(CNc2ccc3c(c2)OCCCO3)c1O ZINC000894196791 618726817 /nfs/dbraw/zinc/72/68/17/618726817.db2.gz CDTOXNHTPGECAB-UHFFFAOYSA-N 0 0 315.369 3.483 20 10 DGCDRN COc1ccc(N2CC[C@H](CNc3nccnc3Cl)C2)cc1 ZINC000894269910 618747271 /nfs/dbraw/zinc/74/72/71/618747271.db2.gz XGLFYCJUMBHDSP-GFCCVEGCSA-N 0 0 318.808 3.077 20 10 DGCDRN C[C@@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1cncs1 ZINC000894288060 618752890 /nfs/dbraw/zinc/75/28/90/618752890.db2.gz ZSABCRASTBQRSV-VXGBXAGGSA-N 0 0 318.446 3.331 20 10 DGCDRN CN(Cc1ccns1)Cc1cc(Br)ccc1O ZINC000895453903 618785095 /nfs/dbraw/zinc/78/50/95/618785095.db2.gz SJFIVTHWZLUMMP-UHFFFAOYSA-N 0 0 313.220 3.243 20 10 DGCDRN CCO[C@H]1C[C@H](NC(=O)Nc2ccc(N)cc2)C12CCCC2 ZINC000841299493 618790669 /nfs/dbraw/zinc/79/06/69/618790669.db2.gz HQWKCDQXXMWVCH-GJZGRUSLSA-N 0 0 303.406 3.128 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2cccnc2C(F)F)cc1 ZINC000895485228 618792271 /nfs/dbraw/zinc/79/22/71/618792271.db2.gz NLONYQIBRKYMTR-UHFFFAOYSA-N 0 0 319.355 3.357 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2CCOC3(CCC3)C2)cc1 ZINC000895485517 618792352 /nfs/dbraw/zinc/79/23/52/618792352.db2.gz WFVXVYIHEUMEKE-INIZCTEOSA-N 0 0 316.445 3.060 20 10 DGCDRN CC(C)CCOC1CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000841301591 618804259 /nfs/dbraw/zinc/80/42/59/618804259.db2.gz VWWDEHVUQIRNFP-UHFFFAOYSA-N 0 0 305.422 3.328 20 10 DGCDRN C[C@@]1(C[NH2+]Cc2ccc(F)c(F)c2[O-])OCCc2ccccc21 ZINC000895640498 618811869 /nfs/dbraw/zinc/81/18/69/618811869.db2.gz UXHMAGGFHVCUEH-SFHVURJKSA-N 0 0 319.351 3.248 20 10 DGCDRN CC(C)([NH2+]Cc1ccc(F)c(F)c1[O-])[C@@H](O)c1ccccc1 ZINC000895663600 618814261 /nfs/dbraw/zinc/81/42/61/618814261.db2.gz YZIYZAWJYPVNJB-INIZCTEOSA-N 0 0 307.340 3.272 20 10 DGCDRN CC(C)([NH2+]Cc1cc(F)cc(F)c1[O-])[C@@H](O)c1ccccc1 ZINC000895662990 618814383 /nfs/dbraw/zinc/81/43/83/618814383.db2.gz UVFFOEJVONYRJG-INIZCTEOSA-N 0 0 307.340 3.272 20 10 DGCDRN O=C(NCCOC1CCCC1)c1cc2cc(O)c(O)cc2s1 ZINC000895796218 618832721 /nfs/dbraw/zinc/83/27/21/618832721.db2.gz JOOQYULUKVLXMZ-UHFFFAOYSA-N 0 0 321.398 3.002 20 10 DGCDRN CCOC(=O)c1sc(NCc2c(O)cccc2F)nc1C ZINC000895832605 618839132 /nfs/dbraw/zinc/83/91/32/618839132.db2.gz IKYWBXBTKHHTDM-UHFFFAOYSA-N 0 0 310.350 3.085 20 10 DGCDRN O=C(NCC[C@H]1CCCS1)NCc1cccc(Cl)c1O ZINC000896127479 618876357 /nfs/dbraw/zinc/87/63/57/618876357.db2.gz WPONHNANRJUKOR-LLVKDONJSA-N 0 0 314.838 3.131 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cccnc2C(F)F)c1 ZINC000896165947 618880527 /nfs/dbraw/zinc/88/05/27/618880527.db2.gz ZTBXPHZZKOQDEU-SECBINFHSA-N 0 0 322.311 3.224 20 10 DGCDRN CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H](c3ccn(C)n3)C2)cc1 ZINC000896488565 618917962 /nfs/dbraw/zinc/91/79/62/618917962.db2.gz IDISDKJYVNDMJM-JXTAAOLFSA-N 0 0 324.472 3.379 20 10 DGCDRN COc1ccc(C[NH2+][C@@H](c2ccccn2)C2CC2)c(O)c1OC ZINC000896609486 618934807 /nfs/dbraw/zinc/93/48/07/618934807.db2.gz OHDWFUCNRXNJTK-MRXNPFEDSA-N 0 0 314.385 3.045 20 10 DGCDRN CCc1noc(C2CCC([NH2+]Cc3c([O-])cccc3F)CC2)n1 ZINC000896636505 618939336 /nfs/dbraw/zinc/93/93/36/618939336.db2.gz DKHJEYUFPILIRS-UHFFFAOYSA-N 0 0 319.380 3.293 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]CCc1nc2c(s1)CCC2 ZINC000896841079 618968286 /nfs/dbraw/zinc/96/82/86/618968286.db2.gz IPSZKHMBRVQQLJ-UHFFFAOYSA-N 0 0 308.834 3.323 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)C(F)F ZINC000881282746 625312904 /nfs/dbraw/zinc/31/29/04/625312904.db2.gz LRALDSQBNTYHIJ-GFCCVEGCSA-N 0 0 313.392 3.326 20 10 DGCDRN CCCOc1cccc(CC(=O)NCc2c(O)cccc2F)c1 ZINC000928706736 619059297 /nfs/dbraw/zinc/05/92/97/619059297.db2.gz YQVLSJRNDPIMJF-UHFFFAOYSA-N 0 0 317.360 3.179 20 10 DGCDRN C[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H]1F ZINC000897332589 619060970 /nfs/dbraw/zinc/06/09/70/619060970.db2.gz LMCPLNOAFAQFCH-WPRPVWTQSA-N 0 0 309.362 3.133 20 10 DGCDRN C[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H]1F ZINC000897332588 619061042 /nfs/dbraw/zinc/06/10/42/619061042.db2.gz LMCPLNOAFAQFCH-WCBMZHEXSA-N 0 0 309.362 3.133 20 10 DGCDRN CCCN(CCC)c1ccc(C[N@H+](C)C[C@@H](C)C(=O)[O-])cc1 ZINC000840999245 619113190 /nfs/dbraw/zinc/11/31/90/619113190.db2.gz QWMCBWFODLPCAD-OAHLLOKOSA-N 0 0 306.450 3.466 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Nc1nccn1-c1ccccc1 ZINC000788024153 619136724 /nfs/dbraw/zinc/13/67/24/619136724.db2.gz STXARHBOMWPBMN-UHFFFAOYSA-N 0 0 322.368 3.242 20 10 DGCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCCC12CCC2 ZINC000897581497 619162712 /nfs/dbraw/zinc/16/27/12/619162712.db2.gz RSKWEBPBKMKTDE-UHFFFAOYSA-N 0 0 303.383 3.471 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1CCOC12CCCCC2 ZINC000897658910 619172057 /nfs/dbraw/zinc/17/20/57/619172057.db2.gz QCFHHGLJNKBRMN-INIZCTEOSA-N 0 0 318.417 3.025 20 10 DGCDRN C[C@]1(F)CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897870750 619189765 /nfs/dbraw/zinc/18/97/65/619189765.db2.gz YKLIPNIXMHEKDH-HNNXBMFYSA-N 0 0 309.362 3.277 20 10 DGCDRN c1nn(C2CCC2)cc1NCc1ccc(N2CCOCC2)cc1 ZINC000897874134 619190003 /nfs/dbraw/zinc/19/00/03/619190003.db2.gz SMKZTUZPSCRXMH-UHFFFAOYSA-N 0 0 312.417 3.057 20 10 DGCDRN CC[C@H](C)[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)OC ZINC000897880245 619190689 /nfs/dbraw/zinc/19/06/89/619190689.db2.gz KPKRGSJSBMWFBR-ZANVPECISA-N 0 0 323.414 3.103 20 10 DGCDRN CCO[C@]12CCC[C@@]1([NH2+]Cc1cccc(Cl)c1[O-])CCO2 ZINC000897974521 619196940 /nfs/dbraw/zinc/19/69/40/619196940.db2.gz LAGORUOZVOGCEL-CVEARBPZSA-N 0 0 311.809 3.211 20 10 DGCDRN Cc1cc(O)c(CN2CCC([NH2+]C3CCC3)CC2)c(Cl)c1 ZINC000897982474 619202981 /nfs/dbraw/zinc/20/29/81/619202981.db2.gz LGXRSHSVBXZCGA-UHFFFAOYSA-N 0 0 308.853 3.461 20 10 DGCDRN Cn1c(Cl)nc(Cl)c1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898219649 619222727 /nfs/dbraw/zinc/22/27/27/619222727.db2.gz IUEUMQZVHKEICF-UHFFFAOYSA-N 0 0 320.607 3.376 20 10 DGCDRN Cc1ncccc1CC[NH2+]Cc1cccc(Br)c1[O-] ZINC000898257425 619233073 /nfs/dbraw/zinc/23/30/73/619233073.db2.gz VLMCTEOWIUVVAC-UHFFFAOYSA-N 0 0 321.218 3.190 20 10 DGCDRN [O-]c1c(C[N@@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)ccc(F)c1F ZINC000898512922 619282503 /nfs/dbraw/zinc/28/25/03/619282503.db2.gz NDWBKYFZNLBYRR-GXTWGEPZSA-N 0 0 311.372 3.309 20 10 DGCDRN COC1(CNC(=O)N(C)Cc2ccccc2O)CCCCCC1 ZINC000898941899 619302384 /nfs/dbraw/zinc/30/23/84/619302384.db2.gz JXSSLCYEYVYSSV-UHFFFAOYSA-N 0 0 320.433 3.273 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H](c1ccncc1)C1CC1)c1ccccc1O ZINC000898997510 619305680 /nfs/dbraw/zinc/30/56/80/619305680.db2.gz BVARQHAFQVFYNS-SJKOYZFVSA-N 0 0 311.385 3.299 20 10 DGCDRN C[C@H](NC(=O)N[C@H](c1ccncc1)C1CC1)c1ccccc1O ZINC000898997509 619305735 /nfs/dbraw/zinc/30/57/35/619305735.db2.gz BVARQHAFQVFYNS-SJCJKPOMSA-N 0 0 311.385 3.299 20 10 DGCDRN O=C(N[C@@H]1CCCC[C@@H]1F)c1cc2cc(O)c(O)cc2s1 ZINC000899162403 619316303 /nfs/dbraw/zinc/31/63/03/619316303.db2.gz AMSJMBAMHWUJCP-VHSXEESVSA-N 0 0 309.362 3.323 20 10 DGCDRN O=C1/C(=C\c2cccc3c2OCC3)SC(=S)N1C1CCC1 ZINC000899260328 619323560 /nfs/dbraw/zinc/32/35/60/619323560.db2.gz CTWMBUSDUFUIBN-UKTHLTGXSA-N 0 0 317.435 3.375 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C/c1cccc2c1OCC2 ZINC000899341989 619327340 /nfs/dbraw/zinc/32/73/40/619327340.db2.gz OENJKIFJXYCOBO-SDNWHVSQSA-N 0 0 314.410 3.078 20 10 DGCDRN CCOc1ccc(N(Cc2cn(CC)nn2)CC2CC2)cc1 ZINC000899889116 619381064 /nfs/dbraw/zinc/38/10/64/619381064.db2.gz YQOXRHZQFUWOES-UHFFFAOYSA-N 0 0 300.406 3.113 20 10 DGCDRN Nc1ccc(OCc2cn(CC3CCC4(CC4)CC3)nn2)cc1 ZINC000900599071 619439785 /nfs/dbraw/zinc/43/97/85/619439785.db2.gz DETXDLGOZBBRDJ-UHFFFAOYSA-N 0 0 312.417 3.410 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)CCCC(=O)c1ccccc1 ZINC000901055863 619469673 /nfs/dbraw/zinc/46/96/73/619469673.db2.gz SQAXOUUEHXHNOR-UHFFFAOYSA-N 0 0 311.381 3.404 20 10 DGCDRN CC(C)(C)OCCCCOC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000789071686 625351812 /nfs/dbraw/zinc/35/18/12/625351812.db2.gz CNVOWAZZOUTRFD-CLFYSBASSA-N 0 0 308.374 3.250 20 10 DGCDRN O=C(NCc1c(O)cccc1F)N[C@@H]1CCSC2(CCC2)C1 ZINC000927285616 619523954 /nfs/dbraw/zinc/52/39/54/619523954.db2.gz KJELPCHYYOPFGR-LLVKDONJSA-N 0 0 324.421 3.149 20 10 DGCDRN CC(C)(CCn1cc(COc2ccc(N)cc2)nn1)C1CC1 ZINC000881384402 625358213 /nfs/dbraw/zinc/35/82/13/625358213.db2.gz BWAPOVJPCOVXSL-UHFFFAOYSA-N 0 0 300.406 3.266 20 10 DGCDRN Cc1ccn(C)c(=O)c1NCc1ccc(N2CCCCC2)cc1 ZINC000902256049 619607686 /nfs/dbraw/zinc/60/76/86/619607686.db2.gz PXGIUPAAMCFCKO-UHFFFAOYSA-N 0 0 311.429 3.296 20 10 DGCDRN CC(C)c1csc(NC(=O)NCc2c(O)cccc2F)n1 ZINC000902945667 619693468 /nfs/dbraw/zinc/69/34/68/619693468.db2.gz VFRMLUGNEQAPCO-UHFFFAOYSA-N 0 0 309.366 3.433 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1)c1c([O-])cccc1F ZINC000903176585 619730273 /nfs/dbraw/zinc/73/02/73/619730273.db2.gz QOKTVZBHBKXICI-YGOYTEALSA-N 0 0 307.287 3.292 20 10 DGCDRN C[C@H]([NH2+][C@H](CO)CCc1ccccc1)c1c([O-])cccc1F ZINC000903288124 619754493 /nfs/dbraw/zinc/75/44/93/619754493.db2.gz KCSZSICFMCAQDJ-ZFWWWQNUSA-N 0 0 303.377 3.176 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cccc(C(F)(F)F)c1[O-] ZINC000903287387 619754509 /nfs/dbraw/zinc/75/45/09/619754509.db2.gz ROFJFXIWJJZOKV-USGJNCQESA-N 0 0 313.319 3.237 20 10 DGCDRN C[C@H]1CCC[C@H](C2CN(C(=O)c3c(F)ccc(O)c3O)C2)C1 ZINC000881442872 625377023 /nfs/dbraw/zinc/37/70/23/625377023.db2.gz QZWCBEBOUPVSLT-QWRGUYRKSA-N 0 0 307.365 3.135 20 10 DGCDRN Nc1ccc(Cc2noc(C[C@H]3CCC4(CCC4)CO3)n2)cc1 ZINC000904077073 619871367 /nfs/dbraw/zinc/87/13/67/619871367.db2.gz OLWXHZXCKFEXAI-OAHLLOKOSA-N 0 0 313.401 3.134 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCOC3(CCCC3)C2)cc1 ZINC000905319274 619986813 /nfs/dbraw/zinc/98/68/13/619986813.db2.gz YPTKDRGBINMSCI-INIZCTEOSA-N 0 0 316.445 3.108 20 10 DGCDRN CCn1cc(Cl)cc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000905449407 619997476 /nfs/dbraw/zinc/99/74/76/619997476.db2.gz VTWNNKOHLSZNLS-UHFFFAOYSA-N 0 0 319.836 3.500 20 10 DGCDRN COc1ccc2c(c1)CCCN2C[C@H](O)c1ccc(F)cc1 ZINC000027960024 620264284 /nfs/dbraw/zinc/26/42/84/620264284.db2.gz DEMVSMPJGRYCNO-SFHVURJKSA-N 0 0 301.361 3.321 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000910951645 620318595 /nfs/dbraw/zinc/31/85/95/620318595.db2.gz JZWNERZHMZUYCY-MWLCHTKSSA-N 0 0 317.307 3.083 20 10 DGCDRN CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NCc1ccc(O)cc1O ZINC000910950466 620318629 /nfs/dbraw/zinc/31/86/29/620318629.db2.gz FTTLFJDTRXLVSQ-NUTKFTJISA-N 0 0 321.417 3.088 20 10 DGCDRN CC1(C)C[C@@]1(C(=O)NCc1ccc(O)cc1O)c1ccccc1 ZINC000910943883 620319525 /nfs/dbraw/zinc/31/95/25/620319525.db2.gz PUWVCAVRLFNRBS-IBGZPJMESA-N 0 0 311.381 3.082 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000912101237 620364710 /nfs/dbraw/zinc/36/47/10/620364710.db2.gz OSAMBYJWABVDRB-ZBFHGGJFSA-N 0 0 317.410 3.182 20 10 DGCDRN CCC[C@@H](C)S(=O)(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000757744671 620459281 /nfs/dbraw/zinc/45/92/81/620459281.db2.gz MUZQPDVDGCHZIM-CQSZACIVSA-N 0 0 312.479 3.093 20 10 DGCDRN C[C@@H](NC(=O)NCCCSc1nccs1)c1cccnc1 ZINC000151751769 620472721 /nfs/dbraw/zinc/47/27/21/620472721.db2.gz YMLPCXBTRUZKKM-LLVKDONJSA-N 0 0 322.459 3.081 20 10 DGCDRN Cc1ccccc1C1=NO[C@H](C(=O)N[C@H](C)c2ccccc2O)C1 ZINC000913763968 620477974 /nfs/dbraw/zinc/47/79/74/620477974.db2.gz XJDUQKQHVPHYHK-ACJLOTCBSA-N 0 0 324.380 3.071 20 10 DGCDRN Cc1ccc(C2=NO[C@H](C(=O)N[C@H](C)c3ccccc3O)C2)cc1 ZINC000913763401 620477994 /nfs/dbraw/zinc/47/79/94/620477994.db2.gz FSHYEKGHAIKVFV-ACJLOTCBSA-N 0 0 324.380 3.071 20 10 DGCDRN O=C(NCc1c(O)cccc1F)N[C@H](c1ccccc1)C1CC1 ZINC000913972937 620497290 /nfs/dbraw/zinc/49/72/90/620497290.db2.gz FDXLHKFCVOHOSI-QGZVFWFLSA-N 0 0 314.360 3.482 20 10 DGCDRN Cc1ccc(NC(=O)NCc2ccc(N(C)C)cc2C)c(C)n1 ZINC000152421777 620506230 /nfs/dbraw/zinc/50/62/30/620506230.db2.gz QFQNHVMVNMPFOL-UHFFFAOYSA-N 0 0 312.417 3.395 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@](C)(O)C2)cc1 ZINC000152689669 620518412 /nfs/dbraw/zinc/51/84/12/620518412.db2.gz GCGNZVKCTMEHSQ-LJQANCHMSA-N 0 0 312.413 3.081 20 10 DGCDRN CC[C@H](C)[C@@H](C)NC(=O)NCCCSc1nccs1 ZINC000152774506 620521405 /nfs/dbraw/zinc/52/14/05/620521405.db2.gz PJDKZUXFOTYZKE-WDEREUQCSA-N 0 0 301.481 3.359 20 10 DGCDRN CC[C@H](SC)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000153461498 620566729 /nfs/dbraw/zinc/56/67/29/620566729.db2.gz RSSSCSWJIIRZNZ-ZBFHGGJFSA-N 0 0 323.458 3.041 20 10 DGCDRN Cc1ccc(CCNC(=O)c2cc(C)n(-c3ccccn3)c2C)o1 ZINC000915201744 620572896 /nfs/dbraw/zinc/57/28/96/620572896.db2.gz UKTAJPOBUWJHSR-UHFFFAOYSA-N 0 0 323.396 3.363 20 10 DGCDRN CCN(C)C(=O)CN(Cc1ccccc1)c1ccc(OC)cc1 ZINC000915217041 620574250 /nfs/dbraw/zinc/57/42/50/620574250.db2.gz VWGHLPLTUQDKRG-UHFFFAOYSA-N 0 0 312.413 3.180 20 10 DGCDRN COc1ccc([C@H](C)NC(=O)NCc2ccccc2O)cc1C ZINC000915525811 620588740 /nfs/dbraw/zinc/58/87/40/620588740.db2.gz SIQCTIVXQMQDMZ-ZDUSSCGKSA-N 0 0 314.385 3.270 20 10 DGCDRN COCCCC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000915831327 620600636 /nfs/dbraw/zinc/60/06/36/620600636.db2.gz GIBLVTZVRHGPIL-UHFFFAOYSA-N 0 0 314.429 3.179 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000852562408 620629785 /nfs/dbraw/zinc/62/97/85/620629785.db2.gz AUNMVXXLTPWPKZ-ZWUHOBOKSA-N 0 0 318.417 3.197 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccc3c(c2)CCO3)cc1 ZINC000916503387 620632613 /nfs/dbraw/zinc/63/26/13/620632613.db2.gz QUPXOOPNARBTMD-UHFFFAOYSA-N 0 0 324.424 3.398 20 10 DGCDRN C[C@@H](NC(=O)N(C)Cc1ccccc1O)c1cccc(O)c1 ZINC000112457640 620825771 /nfs/dbraw/zinc/82/57/71/620825771.db2.gz OYNSECWEWZLYEJ-GFCCVEGCSA-N 0 0 300.358 3.000 20 10 DGCDRN CCC/C(C)=C/C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000920882529 620826433 /nfs/dbraw/zinc/82/64/33/620826433.db2.gz RRIOTQOUASBWGW-UTZKEFOASA-N 0 0 316.445 3.447 20 10 DGCDRN C[C@@H]1CCCC[C@@H]1OCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000112803345 620855532 /nfs/dbraw/zinc/85/55/32/620855532.db2.gz RJAIEJIGUGKRSH-DYVFJYSZSA-N 0 0 322.424 3.103 20 10 DGCDRN CCOC1(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CCC1 ZINC000854949934 620856718 /nfs/dbraw/zinc/85/67/18/620856718.db2.gz ZWCSZGMCPSXOCM-OAHLLOKOSA-N 0 0 318.461 3.067 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)[C@]3(C)CC=CCC3)C2)cc1 ZINC000855222820 620881304 /nfs/dbraw/zinc/88/13/04/620881304.db2.gz AZNGIKDQTGVCOK-HNAYVOBHSA-N 0 0 314.429 3.137 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)c3ccsc3C)C2)cc1 ZINC000855226329 620881725 /nfs/dbraw/zinc/88/17/25/620881725.db2.gz RDQRRRPXGFOCDG-CYBMUJFWSA-N 0 0 316.426 3.074 20 10 DGCDRN CCC(CC)[C@H](C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855233535 620882397 /nfs/dbraw/zinc/88/23/97/620882397.db2.gz IFBSXNPLTQTJNP-GOEBONIOSA-N 0 0 318.461 3.462 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)c3sccc3C)C2)cc1 ZINC000855235145 620882681 /nfs/dbraw/zinc/88/26/81/620882681.db2.gz YYVKPCSGOLFBAW-CYBMUJFWSA-N 0 0 316.426 3.074 20 10 DGCDRN C/C=C(/C=C/C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)CC ZINC000855233844 620882817 /nfs/dbraw/zinc/88/28/17/620882817.db2.gz NYLYEJYFNDCIGC-NPXNHSIESA-N 0 0 314.429 3.303 20 10 DGCDRN CCC1(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCCC1 ZINC000855233938 620882868 /nfs/dbraw/zinc/88/28/68/620882868.db2.gz PPNUYNFFRNWAQD-HNNXBMFYSA-N 0 0 316.445 3.361 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cc(C)ccc3C)C2)cc1 ZINC000855234844 620882997 /nfs/dbraw/zinc/88/29/97/620882997.db2.gz ODRIPLXWPUKZFN-MRXNPFEDSA-N 0 0 324.424 3.321 20 10 DGCDRN CC[C@H]1C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCS1 ZINC000769447588 620885564 /nfs/dbraw/zinc/88/55/64/620885564.db2.gz SNBWKBLCYAGOIF-NSHDSACASA-N 0 0 316.810 3.281 20 10 DGCDRN CC(C)OCC[C@H](O)CSc1ncc(-c2ccccc2)n1C ZINC000788071886 620890662 /nfs/dbraw/zinc/89/06/62/620890662.db2.gz ZMVBLRIEQQTQPN-HNNXBMFYSA-N 0 0 320.458 3.355 20 10 DGCDRN COCC1(N(C)C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC000855340967 620892027 /nfs/dbraw/zinc/89/20/27/620892027.db2.gz WGWTTZUERSEUAA-UHFFFAOYSA-N 0 0 312.413 3.345 20 10 DGCDRN CN(C)c1ccc(CNCc2nc(C(C)(C)C)co2)cc1F ZINC000921622466 620916597 /nfs/dbraw/zinc/91/65/97/620916597.db2.gz DQLGLBPFUYVWNQ-UHFFFAOYSA-N 0 0 305.397 3.467 20 10 DGCDRN Cc1cnc(F)cc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000890030632 620921788 /nfs/dbraw/zinc/92/17/88/620921788.db2.gz IQJBNFLIWGZIRD-LBPRGKRZSA-N 0 0 301.365 3.086 20 10 DGCDRN CC[C@@H](O)CNC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000855743424 620931440 /nfs/dbraw/zinc/93/14/40/620931440.db2.gz FAAFTCOFWHKPGI-OAHLLOKOSA-N 0 0 320.820 3.248 20 10 DGCDRN CCn1ncc(C)c1NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000855751463 620932284 /nfs/dbraw/zinc/93/22/84/620932284.db2.gz ANJPIFDVSMRTEH-UHFFFAOYSA-N 0 0 323.400 3.266 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC1CCC2(CC2(F)F)CC1 ZINC000855960670 620953360 /nfs/dbraw/zinc/95/33/60/620953360.db2.gz RKTPWCZMHZZTDG-RQOWECAXSA-N 0 0 323.339 3.195 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C(C)=C/c1cccnc1)CCC2 ZINC000856078547 620958447 /nfs/dbraw/zinc/95/84/47/620958447.db2.gz TYRWMWGGZCKHBC-SDNWHVSQSA-N 0 0 308.381 3.473 20 10 DGCDRN CC(C)c1nnc([C@H](C)NCc2ccc3c(c2)CCCO3)[nH]1 ZINC000921945862 620971744 /nfs/dbraw/zinc/97/17/44/620971744.db2.gz KORJKTKPXHGIQQ-LBPRGKRZSA-N 0 0 300.406 3.104 20 10 DGCDRN CN(C[C@H]1CCc2ccccc21)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000856305106 620983145 /nfs/dbraw/zinc/98/31/45/620983145.db2.gz LYIOFAALTGBUAG-MRDWYFFCSA-N 0 0 323.392 3.299 20 10 DGCDRN CN(C[C@@H]1CCc2ccccc21)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000856305107 620983221 /nfs/dbraw/zinc/98/32/21/620983221.db2.gz LYIOFAALTGBUAG-UBAGTECSSA-N 0 0 323.392 3.299 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1CCS[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000922054876 620983993 /nfs/dbraw/zinc/98/39/93/620983993.db2.gz MQWRRXZBYLACEE-VNHYZAJKSA-N 0 0 321.490 3.397 20 10 DGCDRN C[C@@H](CCCC(F)(F)F)NC(=O)NCc1c(O)cccc1F ZINC000922189027 621003386 /nfs/dbraw/zinc/00/33/86/621003386.db2.gz IYCDDQTWHNEIAG-VIFPVBQESA-N 0 0 322.302 3.452 20 10 DGCDRN CCn1c(C)cc(C(=O)NCCCSc2nccs2)c1C ZINC000114374402 621003526 /nfs/dbraw/zinc/00/35/26/621003526.db2.gz WHGQVTYMWQLVHK-UHFFFAOYSA-N 0 0 323.487 3.494 20 10 DGCDRN CCCOc1cccc(C(=O)NCc2cc(OC)ccc2O)c1 ZINC000114543064 621009393 /nfs/dbraw/zinc/00/93/93/621009393.db2.gz KYTIFRJGSMGJJW-UHFFFAOYSA-N 0 0 315.369 3.120 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2cccc3[nH]ccc32)c1 ZINC000114576062 621016168 /nfs/dbraw/zinc/01/61/68/621016168.db2.gz PLLFOZGDRLSKFK-UHFFFAOYSA-N 0 0 311.341 3.204 20 10 DGCDRN CSC1CCC(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000922418631 621036327 /nfs/dbraw/zinc/03/63/27/621036327.db2.gz FIBOZYCPMYYDOZ-UHFFFAOYSA-N 0 0 310.419 3.312 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2c[nH]c3cccnc23)cc1 ZINC000857002352 621043587 /nfs/dbraw/zinc/04/35/87/621043587.db2.gz DQDIICRZCYTNFQ-UHFFFAOYSA-N 0 0 322.412 3.339 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1cc(O)ccc1Cl ZINC000857548839 621095640 /nfs/dbraw/zinc/09/56/40/621095640.db2.gz WTMHLLTUXXLNEF-UHFFFAOYSA-N 0 0 312.152 3.335 20 10 DGCDRN C[C@@]1(C[NH2+]Cc2cccc(Br)c2[O-])CCCCO1 ZINC000922816308 621104483 /nfs/dbraw/zinc/10/44/83/621104483.db2.gz IKEULIXCQTYASH-AWEZNQCLSA-N 0 0 314.223 3.204 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCCSC(C)(C)C ZINC000115674111 621122057 /nfs/dbraw/zinc/12/20/57/621122057.db2.gz KLDIWWIRRMYNAI-UHFFFAOYSA-N 0 0 323.506 3.392 20 10 DGCDRN COC[C@H](C[NH2+]Cc1cccc(Br)c1[O-])C(C)C ZINC000922949687 621136633 /nfs/dbraw/zinc/13/66/33/621136633.db2.gz PIRWGCDBKYXRTD-LBPRGKRZSA-N 0 0 316.239 3.163 20 10 DGCDRN C[C@]1(CCNC(=O)NCc2c(O)cccc2F)C[C@]1(F)Cl ZINC000923067272 621154261 /nfs/dbraw/zinc/15/42/61/621154261.db2.gz UNZIXCCVBFAOHI-UONOGXRCSA-N 0 0 318.751 3.035 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCc2ccc([C@H]3C[C@H]3C)o2)c1 ZINC000858147928 621158160 /nfs/dbraw/zinc/15/81/60/621158160.db2.gz DWWFATQLFPVJOK-DOMZBBRYSA-N 0 0 314.385 3.416 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H](C)Cc2ccccc2F)c1 ZINC000858157224 621159830 /nfs/dbraw/zinc/15/98/30/621159830.db2.gz WBTIUHHPCZEQCF-CYBMUJFWSA-N 0 0 316.376 3.270 20 10 DGCDRN CN(C)c1cc(F)c(CN[C@H]2COCc3ccccc32)cc1F ZINC000858179584 621161941 /nfs/dbraw/zinc/16/19/41/621161941.db2.gz OYPXPPMYXLHTJF-KRWDZBQOSA-N 0 0 318.367 3.392 20 10 DGCDRN CCN(Cc1ccccc1)c1ccc(CNCc2cn[nH]n2)cc1 ZINC000858198661 621164326 /nfs/dbraw/zinc/16/43/26/621164326.db2.gz PZWSHHHPEWSEJZ-UHFFFAOYSA-N 0 0 321.428 3.121 20 10 DGCDRN CCCN(CCC)c1ccc(CNCc2cnn(CC)n2)cc1 ZINC000858204277 621164601 /nfs/dbraw/zinc/16/46/01/621164601.db2.gz AYPSUXNMPJCGFD-UHFFFAOYSA-N 0 0 315.465 3.214 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000858212608 621165166 /nfs/dbraw/zinc/16/51/66/621165166.db2.gz XYIILLXXHWCHQR-ZDUSSCGKSA-N 0 0 321.779 3.416 20 10 DGCDRN Cc1cc(C[N@@H+]2CCC[C@@H](CC(=O)[O-])CC2)ccc1N(C)C ZINC000923241162 621168064 /nfs/dbraw/zinc/16/80/64/621168064.db2.gz OVTMJFJXKQIURA-OAHLLOKOSA-N 0 0 304.434 3.138 20 10 DGCDRN CCN(C(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1)C1CC1 ZINC000858303275 621173369 /nfs/dbraw/zinc/17/33/69/621173369.db2.gz TZKSHBBAJHTOER-UHFFFAOYSA-N 0 0 324.424 3.460 20 10 DGCDRN CCC[C@@H](OCC)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000858341334 621178583 /nfs/dbraw/zinc/17/85/83/621178583.db2.gz GDRLFMODIJUGHU-GOSISDBHSA-N 0 0 318.461 3.449 20 10 DGCDRN Clc1csc(NCc2ccc(N3CCOCC3)cc2)n1 ZINC000858361473 621180865 /nfs/dbraw/zinc/18/08/65/621180865.db2.gz ROCLYRFSAFSCSN-UHFFFAOYSA-N 0 0 309.822 3.245 20 10 DGCDRN O=c1nc(Cl)cc(NCc2ccc(N3CCCCC3)cc2)[nH]1 ZINC000858367909 621181890 /nfs/dbraw/zinc/18/18/90/621181890.db2.gz ZKINZQRLKZJUCD-UHFFFAOYSA-N 0 0 318.808 3.438 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H](C(C)C)C(F)(F)F)c1 ZINC000858384405 621183936 /nfs/dbraw/zinc/18/39/36/621183936.db2.gz NWXUXXPKJCSBGT-LBPRGKRZSA-N 0 0 304.312 3.087 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC000858404985 621186251 /nfs/dbraw/zinc/18/62/51/621186251.db2.gz ZWYYCRBMFQJEGE-JKSUJKDBSA-N 0 0 314.360 3.195 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCC2CCC(F)(F)CC2)c1 ZINC000858427490 621189536 /nfs/dbraw/zinc/18/95/36/621189536.db2.gz IMBFOCLDLMVPRU-UHFFFAOYSA-N 0 0 312.360 3.325 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1cc(F)cc(F)c1[O-] ZINC000858479074 621196177 /nfs/dbraw/zinc/19/61/77/621196177.db2.gz IFBSTKXROTUVLQ-GXSJLCMTSA-N 0 0 320.330 3.051 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000858531325 621202475 /nfs/dbraw/zinc/20/24/75/621202475.db2.gz DKSIKNPMKOAAHE-SMDDNHRTSA-N 0 0 310.388 3.338 20 10 DGCDRN OC1CCN(c2ccc(CNc3nc(Cl)cs3)cc2)CC1 ZINC000858633979 621211521 /nfs/dbraw/zinc/21/15/21/621211521.db2.gz JFTYAGVOOKNAPZ-UHFFFAOYSA-N 0 0 323.849 3.370 20 10 DGCDRN O=C(NCc1ccccc1O)NCC(C1CCC1)C1CCC1 ZINC000858672158 621213911 /nfs/dbraw/zinc/21/39/11/621213911.db2.gz ZYUPUWZQVUPAPI-UHFFFAOYSA-N 0 0 302.418 3.408 20 10 DGCDRN CCn1ccnc(NCc2cc(C)n(-c3ccccc3)c2C)c1=O ZINC000858802598 621221640 /nfs/dbraw/zinc/22/16/40/621221640.db2.gz LYJWMGZRTMSFPJ-UHFFFAOYSA-N 0 0 322.412 3.283 20 10 DGCDRN Cn1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1 ZINC000103038829 621227110 /nfs/dbraw/zinc/22/71/10/621227110.db2.gz LWUABUYHTIGYBT-UKTHLTGXSA-N 0 0 300.408 3.431 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)c(C)n1-c1ccccn1 ZINC000838260131 621228963 /nfs/dbraw/zinc/22/89/63/621228963.db2.gz IFMLDMNFKDUOLN-HYVNUMGLSA-N 0 0 309.413 3.408 20 10 DGCDRN CC[C@@H](NC(=O)NCc1cc(OC)ccc1O)C1CCCC1 ZINC000838474762 621258339 /nfs/dbraw/zinc/25/83/39/621258339.db2.gz QIUFBMYVHHIGJC-OAHLLOKOSA-N 0 0 306.406 3.169 20 10 DGCDRN C[C@]1(NC(=O)NCc2ccc(N3CC=CC3)cc2)CC=CCC1 ZINC000838486769 621259164 /nfs/dbraw/zinc/25/91/64/621259164.db2.gz RZHVURJYVKLTSL-IBGZPJMESA-N 0 0 311.429 3.361 20 10 DGCDRN CC(C)[C@]1(C)C[C@H]1NC(=O)NCCCSc1nccs1 ZINC000838515492 621261857 /nfs/dbraw/zinc/26/18/57/621261857.db2.gz WWJGLZNYEOICON-RISCZKNCSA-N 0 0 313.492 3.359 20 10 DGCDRN CC(C)[C@@]1(C)C[C@@H]1NC(=O)NCCCSc1nccs1 ZINC000838515496 621261865 /nfs/dbraw/zinc/26/18/65/621261865.db2.gz WWJGLZNYEOICON-SMDDNHRTSA-N 0 0 313.492 3.359 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC[C@H](C)F ZINC000838619924 621265713 /nfs/dbraw/zinc/26/57/13/621265713.db2.gz OWPPBWJWECXDOG-AWEZNQCLSA-N 0 0 309.429 3.421 20 10 DGCDRN COc1cccc(CNC(=O)NCC(C)(C)C(C)(C)C)c1O ZINC000838602540 621266551 /nfs/dbraw/zinc/26/65/51/621266551.db2.gz WEJYFNXQTZWETL-UHFFFAOYSA-N 0 0 308.422 3.272 20 10 DGCDRN CCn1nncc1CN(CCC(C)C)c1ccc(OC)cc1 ZINC000838977307 621309734 /nfs/dbraw/zinc/30/97/34/621309734.db2.gz KFNQAPBXXNBBPE-UHFFFAOYSA-N 0 0 302.422 3.359 20 10 DGCDRN COc1ccc(O)c(CN2CC(F)(c3ccccc3F)C2)c1 ZINC000839143157 621341134 /nfs/dbraw/zinc/34/11/34/621341134.db2.gz NCAKHRHMLUGOPW-UHFFFAOYSA-N 0 0 305.324 3.221 20 10 DGCDRN Cc1cc(Cl)cc(CNCc2nnc(C(C)(C)C)[nH]2)c1O ZINC000839170856 621341972 /nfs/dbraw/zinc/34/19/72/621341972.db2.gz REYIHRYZJVNGGI-UHFFFAOYSA-N 0 0 308.813 3.059 20 10 DGCDRN C/C(=C/C(=O)N1CCCc2c(C)ccc(F)c21)c1cnccn1 ZINC000839281955 621354521 /nfs/dbraw/zinc/35/45/21/621354521.db2.gz GTEDPWMTPXMWKN-RAXLEYEMSA-N 0 0 311.360 3.307 20 10 DGCDRN COC(=O)c1cc(CN(C)c2ccc(OC)c(F)c2)cs1 ZINC000839502392 621382526 /nfs/dbraw/zinc/38/25/26/621382526.db2.gz IWTNYGQAMPVULZ-UHFFFAOYSA-N 0 0 309.362 3.319 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccccc1Cl ZINC000808094947 621384509 /nfs/dbraw/zinc/38/45/09/621384509.db2.gz KZXUGGJPVDJJAN-UHFFFAOYSA-N 0 0 310.777 3.461 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)OC[C@H]2CCCO2)cc1 ZINC000804945113 621390071 /nfs/dbraw/zinc/39/00/71/621390071.db2.gz QGBZGHPWNQZTLU-QGZVFWFLSA-N 0 0 320.433 3.280 20 10 DGCDRN CC[C@H]([NH2+]CCOC[C@@H]1CCOC1)c1cccc(Cl)c1[O-] ZINC000806139565 621390627 /nfs/dbraw/zinc/39/06/27/621390627.db2.gz PRPWBNZACDWTJE-DOMZBBRYSA-N 0 0 313.825 3.139 20 10 DGCDRN c1csc(SCCCNc2ncnc3ccncc32)n1 ZINC000752634792 621402867 /nfs/dbraw/zinc/40/28/67/621402867.db2.gz JKXPPZCACDOETI-UHFFFAOYSA-N 0 0 303.416 3.076 20 10 DGCDRN CC(C)C1(CNC(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000753346341 621437318 /nfs/dbraw/zinc/43/73/18/621437318.db2.gz WPFPYDIOLSSTSQ-UHFFFAOYSA-N 0 0 307.413 3.127 20 10 DGCDRN C[C@@H]1C[C@H](CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC000753584949 621451293 /nfs/dbraw/zinc/45/12/93/621451293.db2.gz CHBUOWKDFMUUJA-GHMZBOCLSA-N 0 0 301.789 3.480 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)c1ccsc1 ZINC000753639779 621457139 /nfs/dbraw/zinc/45/71/39/621457139.db2.gz CQNWHCLAKAHEFV-GHMZBOCLSA-N 0 0 305.399 3.010 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c2nccn2c1 ZINC000860951114 621461456 /nfs/dbraw/zinc/46/14/56/621461456.db2.gz YQNJILPJBWZDHI-CQSZACIVSA-N 0 0 322.412 3.200 20 10 DGCDRN CCOc1ccc(N(C)CC2CCC3(CC2)OCCO3)cc1 ZINC000753721402 621461647 /nfs/dbraw/zinc/46/16/47/621461647.db2.gz AJXVAQQAIKTSHO-UHFFFAOYSA-N 0 0 305.418 3.455 20 10 DGCDRN COc1cccc(CNC(=O)c2cc3cc(F)ccc3o2)c1O ZINC000117972566 621479294 /nfs/dbraw/zinc/47/92/94/621479294.db2.gz POPMWXSBTICMFU-UHFFFAOYSA-N 0 0 315.300 3.216 20 10 DGCDRN Cc1ccc(/C=C\C(=O)N2CCc3cc(F)c(F)cc32)cn1 ZINC000754119851 621488901 /nfs/dbraw/zinc/48/89/01/621488901.db2.gz WONHROBFXDCUEX-PLNGDYQASA-N 0 0 300.308 3.271 20 10 DGCDRN O=C(Nc1cccc(N2CCCC2)c1)c1cccc2nccnc21 ZINC000754146263 621491238 /nfs/dbraw/zinc/49/12/38/621491238.db2.gz IGNAKOOBNGGXQO-UHFFFAOYSA-N 0 0 318.380 3.482 20 10 DGCDRN COC1(C(=O)NCc2ccc(N3CCCCC3)cc2)CCCC1 ZINC000754207445 621497038 /nfs/dbraw/zinc/49/70/38/621497038.db2.gz NCBSWWLGTPPVPT-UHFFFAOYSA-N 0 0 316.445 3.252 20 10 DGCDRN Cc1ccc(/C=C\C(=O)N2C[C@H](C)Oc3cc(F)ccc32)cn1 ZINC000754308183 621502269 /nfs/dbraw/zinc/50/22/69/621502269.db2.gz NOSNWRWCJVUQGL-UJZCVKTISA-N 0 0 312.344 3.356 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C=C/c1ccc(C)nc1)C[C@@H](C)O2 ZINC000754317057 621502576 /nfs/dbraw/zinc/50/25/76/621502576.db2.gz KGPJNMWSVWPVIT-VIIAAUOXSA-N 0 0 324.380 3.226 20 10 DGCDRN O=C(/C=C/C1CC1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000754551082 621516265 /nfs/dbraw/zinc/51/62/65/621516265.db2.gz KAUPROUPZNQLIY-JXMROGBWSA-N 0 0 317.344 3.367 20 10 DGCDRN CCCCOCC(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000118337378 621520396 /nfs/dbraw/zinc/52/03/96/621520396.db2.gz IZEKTRXCADPHJB-UHFFFAOYSA-N 0 0 310.413 3.105 20 10 DGCDRN Cc1ccc(NC(=S)NCc2cccc(N(C)C)n2)c(C)c1 ZINC000754693790 621525229 /nfs/dbraw/zinc/52/52/29/621525229.db2.gz YKKKPJZTEJQJRR-UHFFFAOYSA-N 0 0 314.458 3.251 20 10 DGCDRN C/C=C/C[C@@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000861639138 621530771 /nfs/dbraw/zinc/53/07/71/621530771.db2.gz AMSKSCDPIMQLFS-WOMSROEHSA-N 0 0 301.434 3.199 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC[C@@H](C)F)c1 ZINC000861835113 621540117 /nfs/dbraw/zinc/54/01/17/621540117.db2.gz OQLYOLLAKUGZRB-GFCCVEGCSA-N 0 0 316.376 3.385 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)C2(O)CCCCC2)cc1 ZINC000754975324 621543847 /nfs/dbraw/zinc/54/38/47/621543847.db2.gz CORFISVPRXQRSM-UHFFFAOYSA-N 0 0 318.461 3.186 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(Cl)c(F)c1 ZINC000755010951 621546538 /nfs/dbraw/zinc/54/65/38/621546538.db2.gz FWHDJCIURBMSTP-UHFFFAOYSA-N 0 0 324.739 3.255 20 10 DGCDRN C[C@H](CC(F)(F)F)C(=O)NCc1ccc2cccnc2c1O ZINC000862024869 621551164 /nfs/dbraw/zinc/55/11/64/621551164.db2.gz ITQRAASHMROZDC-SECBINFHSA-N 0 0 312.291 3.145 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@@H]2CC23CC3)ccc1C ZINC000862036119 621551654 /nfs/dbraw/zinc/55/16/54/621551654.db2.gz PCIKTEPCHVUYOM-GOSISDBHSA-N 0 0 322.408 3.497 20 10 DGCDRN C[C@H](NC(=O)N1CCS[C@H](C)CC1)c1ccc(N(C)C)cc1 ZINC000755275115 621562663 /nfs/dbraw/zinc/56/26/63/621562663.db2.gz PCOSWHNGXLYYCO-KGLIPLIRSA-N 0 0 321.490 3.351 20 10 DGCDRN CN(C)c1cc(F)c(CN2CCO[C@@H](c3ccco3)C2)cc1F ZINC000862250895 621567763 /nfs/dbraw/zinc/56/77/63/621567763.db2.gz RRECKEIRGPQYOM-QGZVFWFLSA-N 0 0 322.355 3.197 20 10 DGCDRN Cc1nn(C)cc1/C=C1\SC(=S)N(c2ccccc2)C1=O ZINC000755404471 621571864 /nfs/dbraw/zinc/57/18/64/621571864.db2.gz MXNZNOZGTGQFND-JYRVWZFOSA-N 0 0 315.423 3.134 20 10 DGCDRN CN(C)c1cc(F)c(CN2CCC[C@H](OC(F)F)C2)cc1F ZINC000862309215 621573743 /nfs/dbraw/zinc/57/37/43/621573743.db2.gz NJRYRCFGNFYKSY-NSHDSACASA-N 0 0 320.330 3.234 20 10 DGCDRN COc1cc(N(C)Cc2cnc(C3CC3)o2)cc(OC)c1OC ZINC000862307254 621573892 /nfs/dbraw/zinc/57/38/92/621573892.db2.gz VIGIMGMVCVKZSO-UHFFFAOYSA-N 0 0 318.373 3.214 20 10 DGCDRN COC(=O)C1=CC[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000862464528 621592406 /nfs/dbraw/zinc/59/24/06/621592406.db2.gz ATOCPIUOYHIXJC-GOSISDBHSA-N 0 0 323.392 3.411 20 10 DGCDRN CC(C)[C@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000755967640 621607100 /nfs/dbraw/zinc/60/71/00/621607100.db2.gz APOMPALNGSKXJA-KRWDZBQOSA-N 0 0 315.461 3.257 20 10 DGCDRN CCC(NC(=O)/C=C/c1ccc(O)c(O)c1)(C1CC1)C1CC1 ZINC000862685926 621609212 /nfs/dbraw/zinc/60/92/12/621609212.db2.gz KVJFTLDIAONAHV-ONNFQVAWSA-N 0 0 301.386 3.196 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)C[C@]2(C)CC2(Cl)Cl)c1 ZINC000862754788 621613652 /nfs/dbraw/zinc/61/36/52/621613652.db2.gz KJQFHINWFODACM-CYBMUJFWSA-N 0 0 302.201 3.291 20 10 DGCDRN CCSc1cccnc1C(=O)NCc1cc(C)ccc1O ZINC000862755324 621613657 /nfs/dbraw/zinc/61/36/57/621613657.db2.gz QRCTUPCFIHXMMR-UHFFFAOYSA-N 0 0 302.399 3.138 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)C2(c3cccnc3)CCCC2)c1 ZINC000862755687 621613883 /nfs/dbraw/zinc/61/38/83/621613883.db2.gz JWNXUZCAYLBJCE-UHFFFAOYSA-N 0 0 310.397 3.224 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)c1 ZINC000862756339 621613922 /nfs/dbraw/zinc/61/39/22/621613922.db2.gz WAWFFIXCUVPSOW-CMPLNLGQSA-N 0 0 301.308 3.295 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)c1 ZINC000862759407 621614268 /nfs/dbraw/zinc/61/42/68/621614268.db2.gz DUYSLOHFXVBEOE-KBPBESRZSA-N 0 0 317.335 3.399 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2scnc2C(C)(C)C)c1 ZINC000862757713 621614301 /nfs/dbraw/zinc/61/43/01/621614301.db2.gz CPDKVHQDDKDKEU-UHFFFAOYSA-N 0 0 304.415 3.385 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccc(C(F)(F)F)nc2C)c1 ZINC000862759294 621614315 /nfs/dbraw/zinc/61/43/15/621614315.db2.gz BZZRNFIBOJEEOL-UHFFFAOYSA-N 0 0 324.302 3.353 20 10 DGCDRN CC[C@H](Oc1ccccc1C)C(=O)NCc1cc(C)ccc1O ZINC000862758149 621614356 /nfs/dbraw/zinc/61/43/56/621614356.db2.gz QGQCGUIXHHPERJ-KRWDZBQOSA-N 0 0 313.397 3.483 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)c1 ZINC000862760339 621614760 /nfs/dbraw/zinc/61/47/60/621614760.db2.gz QMGXCSJJXDJZBM-DZGCQCFKSA-N 0 0 317.335 3.399 20 10 DGCDRN Cc1cc(C(=O)N2CC3(C2)CCCO3)c(C)n1-c1ccccc1C ZINC000862821695 621620606 /nfs/dbraw/zinc/62/06/06/621620606.db2.gz YLQORFWIFCGWNA-UHFFFAOYSA-N 0 0 324.424 3.408 20 10 DGCDRN C[C@@H]1CC[C@](C[NH2+]Cc2ccc(N(C)C)cc2)(CC(=O)[O-])C1 ZINC000756312511 621627255 /nfs/dbraw/zinc/62/72/55/621627255.db2.gz QVHGZZXBKNOUNM-RDTXWAMCSA-N 0 0 304.434 3.123 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCc2ccc(F)cc2)c1 ZINC000756340543 621629090 /nfs/dbraw/zinc/62/90/90/621629090.db2.gz IXCXGZAWAGHKFE-LBPRGKRZSA-N 0 0 317.360 3.211 20 10 DGCDRN C[C@H]([NH2+]CC(C)(C)N1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756343529 621629667 /nfs/dbraw/zinc/62/96/67/621629667.db2.gz OXUYWHDUAGVOCM-ZDUSSCGKSA-N 0 0 321.421 3.216 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1cc(F)cc(F)c1[O-] ZINC000756351123 621630043 /nfs/dbraw/zinc/63/00/43/621630043.db2.gz IXGQVMKBMJNTDE-QMTHXVAHSA-N 0 0 310.344 3.217 20 10 DGCDRN CC(C)[C@H](CC(=O)[O-])[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000756363064 621631429 /nfs/dbraw/zinc/63/14/29/621631429.db2.gz QAGYFLJOWZOEQZ-KRWDZBQOSA-N 0 0 304.434 3.266 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1cc(F)cc(F)c1[O-] ZINC000756374159 621632801 /nfs/dbraw/zinc/63/28/01/621632801.db2.gz YJEHVHQMAXFHCC-JTQLQIEISA-N 0 0 321.323 3.292 20 10 DGCDRN CN(C)c1ccc(C[NH2+][C@H](C(=O)[O-])C2(C)CCCCC2)cc1 ZINC000756384443 621633922 /nfs/dbraw/zinc/63/39/22/621633922.db2.gz PJRMDKASJFTCBJ-MRXNPFEDSA-N 0 0 304.434 3.266 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@H]2CCC[C@]2(C)C(=O)[O-])cc1F ZINC000756390287 621634682 /nfs/dbraw/zinc/63/46/82/621634682.db2.gz TZPAZKZSFXQVBE-WMZOPIPTSA-N 0 0 322.424 3.405 20 10 DGCDRN CCC(CC)[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])N(C)C ZINC000756398394 621635528 /nfs/dbraw/zinc/63/55/28/621635528.db2.gz DPECSNKTHWFWJP-BLLLJJGKSA-N 0 0 323.437 3.317 20 10 DGCDRN CC(C)[C@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])N1CCCC1 ZINC000756398188 621635536 /nfs/dbraw/zinc/63/55/36/621635536.db2.gz CUJBYOIOEBKIDN-WBMJQRKESA-N 0 0 312.404 3.441 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1cc(F)cc(F)c1[O-] ZINC000756402720 621635584 /nfs/dbraw/zinc/63/55/84/621635584.db2.gz OFJXHUCIQTWUCA-OTYXRUKQSA-N 0 0 307.344 3.132 20 10 DGCDRN CCOCC[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756416554 621637165 /nfs/dbraw/zinc/63/71/65/621637165.db2.gz HUOIJOODFJWYCG-QMMMGPOBSA-N 0 0 322.630 3.495 20 10 DGCDRN CCOCC[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756416553 621637269 /nfs/dbraw/zinc/63/72/69/621637269.db2.gz HUOIJOODFJWYCG-MRVPVSSYSA-N 0 0 322.630 3.495 20 10 DGCDRN CCN(CC)C(=O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756457989 621639478 /nfs/dbraw/zinc/63/94/78/621639478.db2.gz SOOGGNXGWVCGQA-SECBINFHSA-N 0 0 319.232 3.218 20 10 DGCDRN COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756459498 621640112 /nfs/dbraw/zinc/64/01/12/621640112.db2.gz NWJIRRQZJCSGHS-MEBBXXQBSA-N 0 0 323.339 3.063 20 10 DGCDRN C[C@@H](CN1CCC[C@@H](C)C1)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756460793 621640169 /nfs/dbraw/zinc/64/01/69/621640169.db2.gz SYFHVLYZZDDQNB-AGIUHOORSA-N 0 0 312.404 3.441 20 10 DGCDRN C[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756488228 621641523 /nfs/dbraw/zinc/64/15/23/621641523.db2.gz MAVWFVFMIUOPOY-YUMQZZPRSA-N 0 0 313.266 3.288 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](C)N1CCC(C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756504690 621643081 /nfs/dbraw/zinc/64/30/81/621643081.db2.gz PWANDDHGOPHPRT-UONOGXRCSA-N 0 0 321.421 3.071 20 10 DGCDRN COCCC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC000863160890 621643715 /nfs/dbraw/zinc/64/37/15/621643715.db2.gz CZHPZVZTSYASES-UHFFFAOYSA-N 0 0 300.402 3.055 20 10 DGCDRN CO[C@@H](C)CC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000863164854 621644695 /nfs/dbraw/zinc/64/46/95/621644695.db2.gz CYOCTLUBVDVQSD-AWEZNQCLSA-N 0 0 300.402 3.135 20 10 DGCDRN CO[C@H](C)CC[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756526985 621644871 /nfs/dbraw/zinc/64/48/71/621644871.db2.gz IPHCPXLLRDQBMP-RKDXNWHRSA-N 0 0 320.202 3.369 20 10 DGCDRN COc1cccc([C@@H](O)C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756563009 621649165 /nfs/dbraw/zinc/64/91/65/621649165.db2.gz KXGMJTGNTKLQFY-HWPZZCPQSA-N 0 0 323.339 3.063 20 10 DGCDRN Cc1cccc2nc(C[NH2+][C@H](C)c3cc(F)cc(F)c3[O-])cn21 ZINC000756565715 621649620 /nfs/dbraw/zinc/64/96/20/621649620.db2.gz YMXKUHGAQYAEQK-LLVKDONJSA-N 0 0 317.339 3.477 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)c2c(C)noc2C)c1 ZINC000756576270 621650789 /nfs/dbraw/zinc/65/07/89/621650789.db2.gz ZBFCJGRSNYNDEM-ZJUUUORDSA-N 0 0 318.373 3.195 20 10 DGCDRN Cc1ncc2c(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756585331 621651130 /nfs/dbraw/zinc/65/11/30/621651130.db2.gz JNPLAAWIJWQUGM-ZUZCIYMTSA-N 0 0 301.365 3.358 20 10 DGCDRN C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cc(F)cc(F)c1[O-] ZINC000756603775 621652239 /nfs/dbraw/zinc/65/22/39/621652239.db2.gz KWGWBVKZRQJPMP-BJOHPYRUSA-N 0 0 313.369 3.290 20 10 DGCDRN C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756605667 621652264 /nfs/dbraw/zinc/65/22/64/621652264.db2.gz ULBZUUQNYVEZAD-JSGCOSHPSA-N 0 0 321.367 3.487 20 10 DGCDRN CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C12CCC2 ZINC000756615092 621653254 /nfs/dbraw/zinc/65/32/54/621653254.db2.gz VSFPVORDWWUSAF-IUIKQTSFSA-N 0 0 320.389 3.299 20 10 DGCDRN CO[C@]1(C)C[C@@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1(C)C ZINC000756627231 621653532 /nfs/dbraw/zinc/65/35/32/621653532.db2.gz SOEQTHSPLQIKAB-DRZCJDIDSA-N 0 0 308.378 3.155 20 10 DGCDRN Cc1ccc(C(=O)N2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c(O)c1O ZINC000863244109 621653779 /nfs/dbraw/zinc/65/37/79/621653779.db2.gz ZYXOKHBNDXKJLG-BHYGNILZSA-N 0 0 323.392 3.282 20 10 DGCDRN C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cc(F)cc(F)c1[O-] ZINC000756672546 621657840 /nfs/dbraw/zinc/65/78/40/621657840.db2.gz PXQFYRFIYBDTQC-VIFPVBQESA-N 0 0 308.284 3.429 20 10 DGCDRN CC(C)OC(=O)N1CCC([NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000756705193 621659202 /nfs/dbraw/zinc/65/92/02/621659202.db2.gz DOVAXORVFOHANB-GFCCVEGCSA-N 0 0 324.396 3.191 20 10 DGCDRN Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756736927 621661698 /nfs/dbraw/zinc/66/16/98/621661698.db2.gz PXUVVWWBMSKBTA-GXFFZTMASA-N 0 0 322.386 3.055 20 10 DGCDRN C[C@H]([NH2+]CC[C@H]1COc2ccccc2O1)c1ccc(F)cc1[O-] ZINC000756763264 621662896 /nfs/dbraw/zinc/66/28/96/621662896.db2.gz WIPUAERFZWJMEE-JSGCOSHPSA-N 0 0 317.360 3.412 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1cc(F)cc(F)c1[O-] ZINC000756787785 621664914 /nfs/dbraw/zinc/66/49/14/621664914.db2.gz RTODRVPFEFIGSK-ZYHUDNBSSA-N 0 0 313.344 3.007 20 10 DGCDRN C[C@@H](Nc1cnn(-c2ccccn2)c1)c1cc(F)cc(F)c1O ZINC000756858250 621669061 /nfs/dbraw/zinc/66/90/61/621669061.db2.gz SMUQOHCNQQGKFY-SNVBAGLBSA-N 0 0 316.311 3.424 20 10 DGCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2cc(F)ccc2OC)c1 ZINC000756857698 621669288 /nfs/dbraw/zinc/66/92/88/621669288.db2.gz QBJVOWVXWDITIC-JTQLQIEISA-N 0 0 319.332 3.500 20 10 DGCDRN CN(Cc1cnn(Cc2ccccc2)c1)c1ccc2c(c1)OCO2 ZINC000757099177 621686464 /nfs/dbraw/zinc/68/64/64/621686464.db2.gz JQEZXVMSICUSOO-UHFFFAOYSA-N 0 0 321.380 3.297 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C(C)(C)CC(F)F)cc1F ZINC000839608144 621699366 /nfs/dbraw/zinc/69/93/66/621699366.db2.gz RPJRTFNWBHIIIV-UHFFFAOYSA-N 0 0 302.340 3.189 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(CC(C)C)c[nH]2)c1 ZINC000839650965 621703798 /nfs/dbraw/zinc/70/37/98/621703798.db2.gz PIWPWLWYJDABLY-LBPRGKRZSA-N 0 0 316.401 3.418 20 10 DGCDRN COc1cc2c(c(OC)c1)N(CCn1cc(Cl)cn1)CCC2 ZINC000839655472 621704288 /nfs/dbraw/zinc/70/42/88/621704288.db2.gz PMURCNURTMINGW-UHFFFAOYSA-N 0 0 321.808 3.007 20 10 DGCDRN COc1cc2c(c(OC)c1)N(CCCc1ccncc1)CCC2 ZINC000839656674 621704996 /nfs/dbraw/zinc/70/49/96/621704996.db2.gz RDRMOIZUIQLBKD-UHFFFAOYSA-N 0 0 312.413 3.484 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000863738656 621705767 /nfs/dbraw/zinc/70/57/67/621705767.db2.gz DAHJLSVPVKJHJT-RHSMWYFYSA-N 0 0 304.434 3.075 20 10 DGCDRN CCN(C)c1ccc(CN(C)Cc2noc(C3CC3)n2)cc1 ZINC000839672546 621710130 /nfs/dbraw/zinc/71/01/30/621710130.db2.gz WCBIFMGNDWFNPH-UHFFFAOYSA-N 0 0 300.406 3.035 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)Cc2cccc(Cl)c2)c1 ZINC000103528473 621711871 /nfs/dbraw/zinc/71/18/71/621711871.db2.gz DWIYMRRHKVACNW-NSHDSACASA-N 0 0 319.788 3.474 20 10 DGCDRN C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(O)c1)c1ccc(N(C)C)cc1 ZINC000839727726 621717178 /nfs/dbraw/zinc/71/71/78/621717178.db2.gz DAUWPPYXTHEVHM-FASAQXTFSA-N 0 0 324.424 3.439 20 10 DGCDRN C[C@@H](NC(=O)[C@@H]1CCc2ccccc2O1)c1ccc(N(C)C)cc1 ZINC000839727650 621717480 /nfs/dbraw/zinc/71/74/80/621717480.db2.gz AEBIMXZXKMKHFQ-KUHUBIRLSA-N 0 0 324.424 3.324 20 10 DGCDRN CC[C@H](C(=O)NCc1cc(C)n(-c2ccccc2)c1C)[C@H](C)O ZINC000863940955 621720061 /nfs/dbraw/zinc/72/00/61/621720061.db2.gz RFODZNXTXFGOQG-YJBOKZPZSA-N 0 0 314.429 3.117 20 10 DGCDRN CN=[S@@](C)(=O)c1cccc(NCc2cccc(OC)c2O)c1 ZINC000864014855 621727414 /nfs/dbraw/zinc/72/74/14/621727414.db2.gz XWDWAQZHYMJRBT-QFIPXVFZSA-N 0 0 320.414 3.099 20 10 DGCDRN C[C@H](Nc1cccc([C@@H]2CNC(=O)C2)c1)c1cc(F)ccc1O ZINC000757619852 621729064 /nfs/dbraw/zinc/72/90/64/621729064.db2.gz UZAILAULKKJYCO-AAEUAGOBSA-N 0 0 314.360 3.308 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CC(C)(C)OC2(C)C)c1 ZINC000757630481 621729820 /nfs/dbraw/zinc/72/98/20/621729820.db2.gz KRKAZCCBFXREQZ-NHYWBVRUSA-N 0 0 321.417 3.176 20 10 DGCDRN [O-]c1c(C[NH2+]CC2([C@H]3CCCCO3)CCC2)ccc(F)c1F ZINC000864053292 621732723 /nfs/dbraw/zinc/73/27/23/621732723.db2.gz UCBJHMMPZKNDQO-CQSZACIVSA-N 0 0 311.372 3.499 20 10 DGCDRN CCN1C(=O)/C(=C/c2ccc(C(F)(F)F)[nH]2)SC1=S ZINC000864087067 621735207 /nfs/dbraw/zinc/73/52/07/621735207.db2.gz OSHIFFHGLYKHIH-ALCCZGGFSA-N 0 0 306.334 3.255 20 10 DGCDRN CN(C)c1ccc(OCC(=O)NCCC2=CCCCC2)cc1 ZINC000757718100 621735790 /nfs/dbraw/zinc/73/57/90/621735790.db2.gz OPCFRMYFXWGYIE-UHFFFAOYSA-N 0 0 302.418 3.138 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2[C@H](C)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000757798368 621740394 /nfs/dbraw/zinc/74/03/94/621740394.db2.gz WJJNAPTWTXRZHX-PGQSYZCXSA-N 0 0 304.346 3.158 20 10 DGCDRN COc1ccc(N(C)CC(=O)N(C)[C@@H]2CCCC[C@H]2C)cc1F ZINC000757852643 621742941 /nfs/dbraw/zinc/74/29/41/621742941.db2.gz PVWODBAQPSVSOU-CZUORRHYSA-N 0 0 322.424 3.308 20 10 DGCDRN CCCCC[C@@H](C)NC(=O)CN(C)c1ccc(OC)c(F)c1 ZINC000757850969 621743023 /nfs/dbraw/zinc/74/30/23/621743023.db2.gz ANESGBHTNUFXIB-CYBMUJFWSA-N 0 0 310.413 3.356 20 10 DGCDRN COc1ccc(N(C)CC(=O)Nc2ccc(C)c(F)c2)cc1F ZINC000757858159 621743827 /nfs/dbraw/zinc/74/38/27/621743827.db2.gz ZCWSGSSFPQBEJM-UHFFFAOYSA-N 0 0 320.339 3.357 20 10 DGCDRN O=C([O-])C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C1CCCCC1 ZINC000864520135 621777817 /nfs/dbraw/zinc/77/78/17/621777817.db2.gz LBIHFISYEVOMMG-MRXNPFEDSA-N 0 0 303.402 3.135 20 10 DGCDRN CC[C@]1(C)CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000758485925 621784779 /nfs/dbraw/zinc/78/47/79/621784779.db2.gz KSINVOHEDYTAIY-BQLWYNFJSA-N 0 0 318.373 3.407 20 10 DGCDRN O=C(OCc1ccccc1OC(F)F)c1cccc(O)c1O ZINC000758559885 621789449 /nfs/dbraw/zinc/78/94/49/621789449.db2.gz SZLXKXHSSNVFGD-UHFFFAOYSA-N 0 0 310.252 3.056 20 10 DGCDRN C[C@@H](OC(=O)c1cccc(O)c1O)c1ncc(C(C)(C)C)o1 ZINC000758581946 621790426 /nfs/dbraw/zinc/79/04/26/621790426.db2.gz QMQRCBBOWSQNBB-SECBINFHSA-N 0 0 305.330 3.301 20 10 DGCDRN CC(F)(F)CC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000758635061 621793125 /nfs/dbraw/zinc/79/31/25/621793125.db2.gz PEDQCHSMGKBCIH-UHFFFAOYSA-N 0 0 316.311 3.380 20 10 DGCDRN C[C@@H]1CCCC[C@]1(C)n1cc(COc2ccc(N)cc2)nn1 ZINC000864630650 621794196 /nfs/dbraw/zinc/79/41/96/621794196.db2.gz LNYVFMXAEBPLLC-DYVFJYSZSA-N 0 0 300.406 3.365 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)CC2CSC2)cc1 ZINC000864636334 621794613 /nfs/dbraw/zinc/79/46/13/621794613.db2.gz GJTNFBPIOQCTHY-UHFFFAOYSA-N 0 0 306.475 3.244 20 10 DGCDRN CCOC(C)(C)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000864636449 621794731 /nfs/dbraw/zinc/79/47/31/621794731.db2.gz KQBHQPFOKGWKOR-UHFFFAOYSA-N 0 0 306.450 3.306 20 10 DGCDRN COc1cc(Cl)cc([C@@H]2NC(=O)c3c(C)cccc3N2)c1O ZINC000758820222 621803138 /nfs/dbraw/zinc/80/31/38/621803138.db2.gz NHUOZNJYFKFBJH-HNNXBMFYSA-N 0 0 318.760 3.217 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NOCC(F)F ZINC000759338202 621847292 /nfs/dbraw/zinc/84/72/92/621847292.db2.gz RHAQQQVKAWREFH-UHFFFAOYSA-N 0 0 300.330 3.082 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCCc1ccc(F)c(F)c1 ZINC000759595715 621874337 /nfs/dbraw/zinc/87/43/37/621874337.db2.gz LJAGXKPCUHZROS-UTCJRWHESA-N 0 0 320.291 3.175 20 10 DGCDRN CCC[C@H](C)N(C)C(=O)NCCCSc1nccs1 ZINC000759602535 621874666 /nfs/dbraw/zinc/87/46/66/621874666.db2.gz WUIOHHCPGXWPBB-NSHDSACASA-N 0 0 301.481 3.455 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@H](c1cccnc1)C1CC1 ZINC000759685072 621882949 /nfs/dbraw/zinc/88/29/49/621882949.db2.gz RWILASHUVMNFDW-KRWDZBQOSA-N 0 0 311.385 3.080 20 10 DGCDRN C[C@@H]1CCCC[C@H]1OCCOC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000759789132 621890456 /nfs/dbraw/zinc/89/04/56/621890456.db2.gz QAXJPXXTOPVGTO-QSQAAJAESA-N 0 0 320.385 3.250 20 10 DGCDRN C[C@H]1C[C@H]1c1nnc(NCc2cc(F)c(N(C)C)cc2F)o1 ZINC000865294853 621892068 /nfs/dbraw/zinc/89/20/68/621892068.db2.gz VBPUDCGHOAVDMM-WCBMZHEXSA-N 0 0 308.332 3.149 20 10 DGCDRN CN(C)c1ccc(CNc2nnc([C@H]3CCCO3)s2)cc1 ZINC000865296211 621892677 /nfs/dbraw/zinc/89/26/77/621892677.db2.gz TXQPQYMVOUWVRS-CYBMUJFWSA-N 0 0 304.419 3.068 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1cccc(OCCF)c1 ZINC000760076009 621914599 /nfs/dbraw/zinc/91/45/99/621914599.db2.gz HOKSKSXVFIDWIG-UHFFFAOYSA-N 0 0 304.321 3.062 20 10 DGCDRN C[C@@H]1CN(C(=O)C2=CC(=O)CS2)C[C@@H](c2ccsc2)O1 ZINC000760140196 621916957 /nfs/dbraw/zinc/91/69/57/621916957.db2.gz GGHBFDNQLMQQDL-SKDRFNHKSA-N 0 0 309.412 3.117 20 10 DGCDRN C=Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1 ZINC000760150930 621918315 /nfs/dbraw/zinc/91/83/15/621918315.db2.gz WJDKPMNTCNTDNT-UHFFFAOYSA-N 0 0 308.381 3.419 20 10 DGCDRN CC[C@H](CC(F)(F)F)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000760602660 621953485 /nfs/dbraw/zinc/95/34/85/621953485.db2.gz NZBGZUBAGLVLBQ-GFCCVEGCSA-N 0 0 317.355 3.283 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CCc1ccc(O)cc1 ZINC000760879178 621971178 /nfs/dbraw/zinc/97/11/78/621971178.db2.gz BVSALAUQJVRTMF-UHFFFAOYSA-N 0 0 312.413 3.016 20 10 DGCDRN C[C@@H]([NH2+]Cc1nn(C)c2ccccc12)c1cc(F)cc(F)c1[O-] ZINC000760895491 621972448 /nfs/dbraw/zinc/97/24/48/621972448.db2.gz AJGPUTZIFZPEES-SNVBAGLBSA-N 0 0 317.339 3.408 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCC[C@H]2CCCCO2)c1 ZINC000760905149 621973456 /nfs/dbraw/zinc/97/34/56/621973456.db2.gz JLDBPUYBUZAUDC-UKRRQHHQSA-N 0 0 321.417 3.179 20 10 DGCDRN CCC[C@H](CCO)[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000865663660 621973893 /nfs/dbraw/zinc/97/38/93/621973893.db2.gz VODSEQMMWZXUFW-GFCCVEGCSA-N 0 0 316.239 3.104 20 10 DGCDRN COc1cc(O)c(CNCC(F)(F)c2ccccc2)cc1OC ZINC000789581077 625528575 /nfs/dbraw/zinc/52/85/75/625528575.db2.gz OCJADGUFTVDTIE-UHFFFAOYSA-N 0 0 323.339 3.291 20 10 DGCDRN CCN(CCC1CC1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000760987671 621977851 /nfs/dbraw/zinc/97/78/51/621977851.db2.gz HHEKNCBNKZGJPP-UHFFFAOYSA-N 0 0 313.445 3.394 20 10 DGCDRN CCC[C@@H](CC)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761185724 621992721 /nfs/dbraw/zinc/99/27/21/621992721.db2.gz QLOINVPTQJQTEX-CYBMUJFWSA-N 0 0 324.808 3.389 20 10 DGCDRN CCO[C@H](CC(=O)N[C@H](C)c1cc(OC)ccc1O)C(C)C ZINC000761539837 622015553 /nfs/dbraw/zinc/01/55/53/622015553.db2.gz DSPRSVIMLVQZAJ-MLGOLLRUSA-N 0 0 309.406 3.029 20 10 DGCDRN Cc1cc(C(=O)N[C@H]2C[C@@H](O)C2)c(C)n1-c1cccc(Cl)c1 ZINC000839792957 622016078 /nfs/dbraw/zinc/01/60/78/622016078.db2.gz OICDLSHHOYGFAQ-OTVXOJSOSA-N 0 0 318.804 3.001 20 10 DGCDRN C[C@H]1CC2(CCC2)CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000761573149 622018459 /nfs/dbraw/zinc/01/84/59/622018459.db2.gz WAMMSCPWBRXYMQ-AWEZNQCLSA-N 0 0 301.434 3.227 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)n1nc(C)cc1C ZINC000761749510 622027845 /nfs/dbraw/zinc/02/78/45/622027845.db2.gz FOXKESMPYQJFAQ-OAHLLOKOSA-N 0 0 315.417 3.205 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)/C=C\c2ccccc2F)c1 ZINC000761974202 622042973 /nfs/dbraw/zinc/04/29/73/622042973.db2.gz VASUPBMWBRCTRR-UMAGTOLTSA-N 0 0 315.344 3.431 20 10 DGCDRN CC(C)Oc1nc(N2Cc3cccc(O)c3C2)ccc1[N+](=O)[O-] ZINC000866117827 622048724 /nfs/dbraw/zinc/04/87/24/622048724.db2.gz RUFVAFNHMMSVQD-UHFFFAOYSA-N 0 0 315.329 3.003 20 10 DGCDRN C[C@@H](NC(=O)Nc1nc2c(s1)CCC2)c1ccccc1O ZINC000866161831 622057216 /nfs/dbraw/zinc/05/72/16/622057216.db2.gz XZKMUODSKFUJAH-SECBINFHSA-N 0 0 303.387 3.220 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)[C@@H]3CCSC3)cc2)CC1 ZINC000762179638 622060387 /nfs/dbraw/zinc/06/03/87/622060387.db2.gz VMQZYXVAACQOBG-MRXNPFEDSA-N 0 0 318.486 3.292 20 10 DGCDRN CCOCCCCCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000866207831 622066984 /nfs/dbraw/zinc/06/69/84/622066984.db2.gz RBLFHTWVIMOECT-UHFFFAOYSA-N 0 0 320.433 3.075 20 10 DGCDRN CN(C)c1ccc(CNc2ccccc2C[S@](C)=O)cc1 ZINC000762557236 622083632 /nfs/dbraw/zinc/08/36/32/622083632.db2.gz WPJSPMZHGUXCJD-NRFANRHFSA-N 0 0 302.443 3.243 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](C)CC1(C)OCCO1)c1cc(F)cc(F)c1[O-] ZINC000866425263 622115729 /nfs/dbraw/zinc/11/57/29/622115729.db2.gz KQZQORZATNWFNM-WDEREUQCSA-N 0 0 315.360 3.110 20 10 DGCDRN C[C@H]([NH2+]CC[C@H](O)C(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000866442679 622119261 /nfs/dbraw/zinc/11/92/61/622119261.db2.gz QKJZWDRGRRXDRU-WKEGUHRASA-N 0 0 314.159 3.366 20 10 DGCDRN Cc1ccnc(NCc2ccc(N3CCOCC3)cc2)c1Cl ZINC000763205133 622129981 /nfs/dbraw/zinc/12/99/81/622129981.db2.gz YFFQCAZANQQSGR-UHFFFAOYSA-N 0 0 317.820 3.492 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(C=O)s1 ZINC000866598742 622144527 /nfs/dbraw/zinc/14/45/27/622144527.db2.gz NUJMISKYDIMVES-UHFFFAOYSA-N 0 0 303.383 3.319 20 10 DGCDRN CC1(C)[C@H](C(=O)NCc2ccc(O)c(O)c2)[C@H]1c1ccccc1 ZINC000866769775 622163044 /nfs/dbraw/zinc/16/30/44/622163044.db2.gz PCQCCYMSLQRMPX-SJORKVTESA-N 0 0 311.381 3.154 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2coc(SC)c2)c1 ZINC000866765638 622163153 /nfs/dbraw/zinc/16/31/53/622163153.db2.gz XWVITJWOLODJBC-VIFPVBQESA-N 0 0 307.371 3.207 20 10 DGCDRN CO/C(=C/c1ccccc1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000763955060 622170928 /nfs/dbraw/zinc/17/09/28/622170928.db2.gz UMVYJZOBJCXLHE-QGOAFFKASA-N 0 0 310.397 3.056 20 10 DGCDRN COc1ccc(N(C)CC(=O)N2[C@H](C)CCC[C@H]2C)cc1F ZINC000121776771 622180969 /nfs/dbraw/zinc/18/09/69/622180969.db2.gz WDCIHFCMFXPGEH-CHWSQXEVSA-N 0 0 308.397 3.060 20 10 DGCDRN COC(=O)/C=C/c1ccc(N2CC[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000764186557 622183596 /nfs/dbraw/zinc/18/35/96/622183596.db2.gz HQOOGWKOKNHMSN-RRFAQUSLSA-N 0 0 316.357 3.017 20 10 DGCDRN COc1ccc(N(C)CC(=O)Nc2cc(F)ccc2F)cc1F ZINC000121824736 622184280 /nfs/dbraw/zinc/18/42/80/622184280.db2.gz UWSDWERAQOEHBJ-UHFFFAOYSA-N 0 0 324.302 3.187 20 10 DGCDRN COC(=O)c1ccc(CN(C)c2ccc(OC)c(Cl)c2)o1 ZINC000121861525 622187065 /nfs/dbraw/zinc/18/70/65/622187065.db2.gz BZPKURLJUHKKFT-UHFFFAOYSA-N 0 0 309.749 3.365 20 10 DGCDRN Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000867834465 622187406 /nfs/dbraw/zinc/18/74/06/622187406.db2.gz OYQFGZQPHIRIAU-ZDUSSCGKSA-N 0 0 305.399 3.049 20 10 DGCDRN Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2O)c(C)c1 ZINC000867834366 622187441 /nfs/dbraw/zinc/18/74/41/622187441.db2.gz NCBWCTGBEMJKQV-ZDUSSCGKSA-N 0 0 305.399 3.049 20 10 DGCDRN Cc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2O)c(C)c1 ZINC000867834364 622187561 /nfs/dbraw/zinc/18/75/61/622187561.db2.gz NCBWCTGBEMJKQV-CYBMUJFWSA-N 0 0 305.399 3.049 20 10 DGCDRN Cc1ccc(C)c(S(=O)(=O)N[C@H](C)c2ccccc2O)c1 ZINC000867834463 622187565 /nfs/dbraw/zinc/18/75/65/622187565.db2.gz OYQFGZQPHIRIAU-CYBMUJFWSA-N 0 0 305.399 3.049 20 10 DGCDRN CO[C@H](CNC(=O)C1=CC(=O)CS1)c1ccccc1Cl ZINC000764341152 622189144 /nfs/dbraw/zinc/18/91/44/622189144.db2.gz CWLRLQPMYBFZNS-GFCCVEGCSA-N 0 0 311.790 3.225 20 10 DGCDRN C[C@@H](Cc1cccs1)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868045282 622208344 /nfs/dbraw/zinc/20/83/44/622208344.db2.gz WGUJVOXPPPTBNO-RYUDHWBXSA-N 0 0 304.415 3.445 20 10 DGCDRN C[C@@H](NC(=O)CCC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000764889522 622230345 /nfs/dbraw/zinc/23/03/45/622230345.db2.gz YKGVMYJSTNYGMA-CYBMUJFWSA-N 0 0 320.433 3.052 20 10 DGCDRN O=[N+]([O-])c1cccnc1NCc1cccc(Br)c1O ZINC000764934828 622234124 /nfs/dbraw/zinc/23/41/24/622234124.db2.gz NITITACNQAMFBS-UHFFFAOYSA-N 0 0 324.134 3.070 20 10 DGCDRN Cc1cnc([C@@H](C)NC(=O)N[C@H](C)c2ccccc2O)s1 ZINC000868343317 622236521 /nfs/dbraw/zinc/23/65/21/622236521.db2.gz OWSHNRQQKUMBOS-GHMZBOCLSA-N 0 0 305.403 3.279 20 10 DGCDRN COc1cc(C)cc(CNC(=O)N[C@H](C)c2ccccc2O)c1 ZINC000868431463 622243470 /nfs/dbraw/zinc/24/34/70/622243470.db2.gz PGXHOZANARAHPI-CYBMUJFWSA-N 0 0 314.385 3.270 20 10 DGCDRN COCC[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)c1ccco1 ZINC000868486990 622248875 /nfs/dbraw/zinc/24/88/75/622248875.db2.gz NRKKZAQMSMAFHB-GXTWGEPZSA-N 0 0 318.373 3.123 20 10 DGCDRN C[C@H](CNC(=O)N[C@H](C)c1ccccc1O)c1nccs1 ZINC000868498118 622250480 /nfs/dbraw/zinc/25/04/80/622250480.db2.gz IYJWYFBRFPNIPJ-GHMZBOCLSA-N 0 0 305.403 3.013 20 10 DGCDRN C[C@@H](NC(=O)NCCC[C@@H]1CCCCO1)c1ccccc1O ZINC000868501259 622250967 /nfs/dbraw/zinc/25/09/67/622250967.db2.gz HDGRTJAYSSAPAU-KGLIPLIRSA-N 0 0 306.406 3.102 20 10 DGCDRN CO[C@@H]1CC[C@H](C)N(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000868515929 622253125 /nfs/dbraw/zinc/25/31/25/622253125.db2.gz XDEUFTMTXAASBT-JJRVBVJISA-N 0 0 319.449 3.023 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC2CCC3(CC3)CC2)cc1F ZINC000765477185 622267501 /nfs/dbraw/zinc/26/75/01/622267501.db2.gz DFKOWZYWPVKIEW-UHFFFAOYSA-N 0 0 319.424 3.414 20 10 DGCDRN Cc1cc(CC(=O)NCc2conc2C)c(C)n1-c1ccccc1 ZINC000868670193 622271419 /nfs/dbraw/zinc/27/14/19/622271419.db2.gz GLRIMLXHRZYIPV-UHFFFAOYSA-N 0 0 323.396 3.249 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc(Cl)c(F)c2)cc1 ZINC000765545940 622272466 /nfs/dbraw/zinc/27/24/66/622272466.db2.gz UZSRCRDBNOFOKA-UHFFFAOYSA-N 0 0 306.768 3.475 20 10 DGCDRN C[C@@H](CNC(=O)N[C@@H](C)c1ccccc1O)CC(F)(F)F ZINC000868706601 622275507 /nfs/dbraw/zinc/27/55/07/622275507.db2.gz YQUHIMYWYHLLOQ-ZJUUUORDSA-N 0 0 304.312 3.341 20 10 DGCDRN COc1cc(Cl)cc(CN2CCOc3ccccc32)c1O ZINC000765636347 622278823 /nfs/dbraw/zinc/27/88/23/622278823.db2.gz QNXBVVLOZNDEPC-UHFFFAOYSA-N 0 0 305.761 3.453 20 10 DGCDRN COc1ccsc1CN1CCOc2cc(N(C)C)ccc21 ZINC000765658296 622280334 /nfs/dbraw/zinc/28/03/34/622280334.db2.gz OCOGXNGMFMKAJK-UHFFFAOYSA-N 0 0 304.415 3.222 20 10 DGCDRN C[C@@H](NC(=O)NC[C@@H]1CCC2(CCCC2)O1)c1ccccc1O ZINC000868755718 622281613 /nfs/dbraw/zinc/28/16/13/622281613.db2.gz KNDQIEXKYNTFSU-KGLIPLIRSA-N 0 0 318.417 3.244 20 10 DGCDRN O=C(NCc1cccc(Br)c1O)C(C1CC1)C1CC1 ZINC000765727555 622284567 /nfs/dbraw/zinc/28/45/67/622284567.db2.gz CNZYXCWRKRNKJM-UHFFFAOYSA-N 0 0 324.218 3.207 20 10 DGCDRN O=C(NCc1cccc(Br)c1O)[C@H]1CC12CCCC2 ZINC000765768296 622285896 /nfs/dbraw/zinc/28/58/96/622285896.db2.gz IQGONQMOEIDWER-LLVKDONJSA-N 0 0 324.218 3.351 20 10 DGCDRN COc1cccc(CNC(=O)N[C@H](C)c2ccccc2O)c1C ZINC000868792069 622286002 /nfs/dbraw/zinc/28/60/02/622286002.db2.gz YMUFWATUSLRLNA-CYBMUJFWSA-N 0 0 314.385 3.270 20 10 DGCDRN Cc1scc(CNC(=O)NCc2cc(C)ccc2O)c1C ZINC000868866055 622294326 /nfs/dbraw/zinc/29/43/26/622294326.db2.gz PCLSTAJSQMGWEO-UHFFFAOYSA-N 0 0 304.415 3.378 20 10 DGCDRN C[C@H](NC(=O)N[C@@H](C1CCC1)[C@@H]1CCCO1)c1ccccc1O ZINC000868988706 622306808 /nfs/dbraw/zinc/30/68/08/622306808.db2.gz AZIIZEGSKZSRHV-ZLIFDBKOSA-N 0 0 318.417 3.100 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)C1([C@@H]2CCCCO2)CCC1 ZINC000869147685 622322023 /nfs/dbraw/zinc/32/20/23/622322023.db2.gz UEDYWBOQODVEID-HNNXBMFYSA-N 0 0 323.820 3.401 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cn1nccc1-c1cccnc1 ZINC000766338681 622322882 /nfs/dbraw/zinc/32/28/82/622322882.db2.gz CNHUVMUFKNBQEU-UHFFFAOYSA-N 0 0 320.396 3.364 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1cc2c(cc1O)OCO2 ZINC000766340350 622322974 /nfs/dbraw/zinc/32/29/74/622322974.db2.gz KNLHROFKLXPDLO-UHFFFAOYSA-N 0 0 313.353 3.082 20 10 DGCDRN COc1ccc2c(c1)CCCN2CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000766341052 622323060 /nfs/dbraw/zinc/32/30/60/622323060.db2.gz JYRCOOCTGCRGHN-FUHWJXTLSA-N 0 0 314.429 3.196 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCOC[C@H]2C)cc1 ZINC000766372918 622325190 /nfs/dbraw/zinc/32/51/90/622325190.db2.gz HBKKRISNXXUWAP-QAPCUYQASA-N 0 0 318.461 3.164 20 10 DGCDRN COc1ccc(CNC(=S)Nc2ccc(C)c(C)c2)nc1 ZINC000766511916 622335205 /nfs/dbraw/zinc/33/52/05/622335205.db2.gz GLVTYSXLOXMFGW-UHFFFAOYSA-N 0 0 301.415 3.194 20 10 DGCDRN Cc1c(NC(=O)N(C)Cc2ccccc2O)cnn1CC(C)C ZINC000766526041 622336788 /nfs/dbraw/zinc/33/67/88/622336788.db2.gz ABXCYYBEAUYLDY-UHFFFAOYSA-N 0 0 316.405 3.217 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](C)[C@H](C)C1 ZINC000766800484 622354091 /nfs/dbraw/zinc/35/40/91/622354091.db2.gz MWLVYQXKTLVQTG-UKRRQHHQSA-N 0 0 303.450 3.249 20 10 DGCDRN C[C@H](NC(=O)[C@@H]1CCCc2cccnc21)c1ccc(N(C)C)cc1 ZINC000766908786 622361059 /nfs/dbraw/zinc/36/10/59/622361059.db2.gz DUDYNUZLWFJHEQ-KBXCAEBGSA-N 0 0 323.440 3.445 20 10 DGCDRN Cc1cc(NC(=O)NCc2ccc(N3CCCC3)cc2)c(C)cn1 ZINC000767941617 622429539 /nfs/dbraw/zinc/42/95/39/622429539.db2.gz FAUOVPCAGATMFW-UHFFFAOYSA-N 0 0 324.428 3.042 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+](CCO)C1CCCC1 ZINC000768136797 622440879 /nfs/dbraw/zinc/44/08/79/622440879.db2.gz BRBMCQLUEUVIGP-UHFFFAOYSA-N 0 0 304.217 3.436 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C)CC(F)(F)F)c1 ZINC000768270425 622447933 /nfs/dbraw/zinc/44/79/33/622447933.db2.gz AIGQPTHREQAEIN-RKDXNWHRSA-N 0 0 305.296 3.170 20 10 DGCDRN Cc1ccc2c(c1)CCCN2Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768463639 622457960 /nfs/dbraw/zinc/45/79/60/622457960.db2.gz VHMASWQDVMGOFJ-SFHVURJKSA-N 0 0 311.381 3.079 20 10 DGCDRN COc1cc(CN2CCOC[C@@H]2c2ccccc2)c(O)cc1C ZINC000768466514 622458784 /nfs/dbraw/zinc/45/87/84/622458784.db2.gz QYZDHGSBEKJSTK-QGZVFWFLSA-N 0 0 313.397 3.283 20 10 DGCDRN COc1ccc(N(C)Cc2ccc3c(c2)nnn3C)cc1Cl ZINC000768530699 622462430 /nfs/dbraw/zinc/46/24/30/622462430.db2.gz PICZOTILKFVCCG-UHFFFAOYSA-N 0 0 316.792 3.267 20 10 DGCDRN CC[C@H](C)N(OC)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000768901413 622484374 /nfs/dbraw/zinc/48/43/74/622484374.db2.gz YTNQRPGCVKNWLL-LBPRGKRZSA-N 0 0 301.390 3.291 20 10 DGCDRN CCOc1ccc(CN2CCCC[C@@H]2c2noc(C)n2)c(O)c1 ZINC000768962786 622488371 /nfs/dbraw/zinc/48/83/71/622488371.db2.gz JOKKXNNNUAVCPU-OAHLLOKOSA-N 0 0 317.389 3.210 20 10 DGCDRN C[C@H](CCC1CC1)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000768967960 622488544 /nfs/dbraw/zinc/48/85/44/622488544.db2.gz LIDISGWBTLVIDY-CQSZACIVSA-N 0 0 315.461 3.447 20 10 DGCDRN Cc1nc([C@@H]2CCCCN2Cc2c(O)cccc2Cl)no1 ZINC000768965459 622488704 /nfs/dbraw/zinc/48/87/04/622488704.db2.gz WBIIYPCBMMZNRN-ZDUSSCGKSA-N 0 0 307.781 3.464 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](F)c1ccccc1 ZINC000769000591 622491462 /nfs/dbraw/zinc/49/14/62/622491462.db2.gz CLWLIXRLDJDPMZ-KRWDZBQOSA-N 0 0 300.377 3.388 20 10 DGCDRN COC(=O)C(C)(C)N(C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000769305793 622515495 /nfs/dbraw/zinc/51/54/95/622515495.db2.gz NMUNKDLWKGYULW-UHFFFAOYSA-N 0 0 306.189 3.082 20 10 DGCDRN CCSc1ccccc1C(=O)N1CCS[C@@H]2COCC[C@@H]21 ZINC000769343912 622519725 /nfs/dbraw/zinc/51/97/25/622519725.db2.gz MBVHIGSHVFPAED-DZGCQCFKSA-N 0 0 323.483 3.145 20 10 DGCDRN COC(=O)C1(N(C)Cc2ccc(N(C)C)c(F)c2)CCCCC1 ZINC000769400992 622524777 /nfs/dbraw/zinc/52/47/77/622524777.db2.gz CIZAFNKRUDWZAC-UHFFFAOYSA-N 0 0 322.424 3.199 20 10 DGCDRN COC(=O)[C@H](c1ccccc1)N(C)Cc1cc(Cl)ccc1O ZINC000769425742 622527007 /nfs/dbraw/zinc/52/70/07/622527007.db2.gz XEOBNLVCJIUXKM-INIZCTEOSA-N 0 0 319.788 3.392 20 10 DGCDRN CCN(CC)c1ccc(CN2CCOC3(CCC3)C2)cc1F ZINC000769482114 622532536 /nfs/dbraw/zinc/53/25/36/622532536.db2.gz GYCSKOBZWCREFX-UHFFFAOYSA-N 0 0 306.425 3.427 20 10 DGCDRN C[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@H](C(F)(F)F)O1 ZINC000769497559 622533784 /nfs/dbraw/zinc/53/37/84/622533784.db2.gz QZAPBZQQNISMCA-IINYFYTJSA-N 0 0 320.330 3.043 20 10 DGCDRN CN(C)c1ccc(CN2CCOC[C@@H]2c2ccccc2)cc1F ZINC000769503817 622534792 /nfs/dbraw/zinc/53/47/92/622534792.db2.gz NIPWXTBLGRAMBS-LJQANCHMSA-N 0 0 314.404 3.465 20 10 DGCDRN CN(C)c1ccc(/C=C\c2nccc(-c3cnn(C)c3)n2)cc1 ZINC000769614442 622544790 /nfs/dbraw/zinc/54/47/90/622544790.db2.gz IZGKVUGAUWBHKU-TWGQIWQCSA-N 0 0 305.385 3.114 20 10 DGCDRN COc1cccc(NC(=S)NNc2c(C)cccc2F)c1 ZINC000769763015 622558597 /nfs/dbraw/zinc/55/85/97/622558597.db2.gz GTDNSGSAXFXLRZ-UHFFFAOYSA-N 0 0 305.378 3.456 20 10 DGCDRN O=C(N1Cc2cccc(O)c2C1)C1(c2ccc(F)cc2)CCC1 ZINC000871198956 622565640 /nfs/dbraw/zinc/56/56/40/622565640.db2.gz PWLWPMMVUBWRAS-UHFFFAOYSA-N 0 0 311.356 3.495 20 10 DGCDRN Cc1nc(C(F)(F)F)ccc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871199316 622566016 /nfs/dbraw/zinc/56/60/16/622566016.db2.gz WEZAVVOJYIQGQN-UHFFFAOYSA-N 0 0 322.286 3.270 20 10 DGCDRN CCn1cc(CC(=O)N2Cc3cccc(O)c3C2)c2ccccc21 ZINC000871201370 622566471 /nfs/dbraw/zinc/56/64/71/622566471.db2.gz UMIZCJKXMHRCPV-UHFFFAOYSA-N 0 0 320.392 3.452 20 10 DGCDRN O=C([C@H]1C[C@@]12CCc1ccccc12)N1Cc2cccc(O)c2C1 ZINC000871202387 622566491 /nfs/dbraw/zinc/56/64/91/622566491.db2.gz GFQAHPADPZZEBQ-YLJYHZDGSA-N 0 0 305.377 3.139 20 10 DGCDRN O=C(c1ccccc1OC1CCC1)N1Cc2cccc(O)c2C1 ZINC000871203317 622567097 /nfs/dbraw/zinc/56/70/97/622567097.db2.gz XJHQJHWVPBYWEO-UHFFFAOYSA-N 0 0 309.365 3.480 20 10 DGCDRN O=C([C@H]1C[C@H]1c1c(F)cccc1F)N1Cc2cccc(O)c2C1 ZINC000871203366 622567227 /nfs/dbraw/zinc/56/72/27/622567227.db2.gz YXJODSSONOANLV-NEPJUHHUSA-N 0 0 315.319 3.316 20 10 DGCDRN O=C([C@H]1C[C@@H]1c1c(F)cccc1F)N1Cc2cccc(O)c2C1 ZINC000871203368 622567395 /nfs/dbraw/zinc/56/73/95/622567395.db2.gz YXJODSSONOANLV-RYUDHWBXSA-N 0 0 315.319 3.316 20 10 DGCDRN CC(C)[C@@H]1C[C@H](CC(=O)N2Cc3cccc(O)c3C2)CCO1 ZINC000871205059 622568111 /nfs/dbraw/zinc/56/81/11/622568111.db2.gz VBQXXHKDSBSWGG-DYVFJYSZSA-N 0 0 303.402 3.076 20 10 DGCDRN CC[C@@H](C)Oc1cc(C(=O)N2Cc3cccc(O)c3C2)ccn1 ZINC000871204668 622568164 /nfs/dbraw/zinc/56/81/64/622568164.db2.gz OKQNJOUSMKSJKY-GFCCVEGCSA-N 0 0 312.369 3.121 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCC[C@@](F)(c2ccccc2)C1 ZINC000871371530 622612506 /nfs/dbraw/zinc/61/25/06/622612506.db2.gz BVGGOIUDLGPYKL-SFHVURJKSA-N 0 0 315.344 3.199 20 10 DGCDRN Cc1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cn1 ZINC000770263803 622616920 /nfs/dbraw/zinc/61/69/20/622616920.db2.gz ZNGWGQCSCOQYDJ-UHFFFAOYSA-N 0 0 308.385 3.088 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)c1nc(C)nc2[nH]ccc21 ZINC000770473663 622637521 /nfs/dbraw/zinc/63/75/21/622637521.db2.gz XWYGNJZNCLEFSE-UHFFFAOYSA-N 0 0 309.417 3.359 20 10 DGCDRN Cc1ccc(C(=O)NC(C)(C)c2cccc(F)c2)c(O)c1O ZINC000770504065 622640610 /nfs/dbraw/zinc/64/06/10/622640610.db2.gz SUQBFBNQWCLMMQ-UHFFFAOYSA-N 0 0 303.333 3.210 20 10 DGCDRN CCN1C(=O)/C(=C\c2c(C)ccc([N+](=O)[O-])c2C)SC1=S ZINC000871597796 622645159 /nfs/dbraw/zinc/64/51/59/622645159.db2.gz AAMCWPNRNDYJOT-KPKJPENVSA-N 0 0 322.411 3.433 20 10 DGCDRN O=C(NCCCSc1nccs1)N1CCCC12CCC2 ZINC000770740441 622666226 /nfs/dbraw/zinc/66/62/26/622666226.db2.gz OZWWAGNPJGJNNW-UHFFFAOYSA-N 0 0 311.476 3.353 20 10 DGCDRN O=C(C1=CC(=O)CS1)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000770955796 622695205 /nfs/dbraw/zinc/69/52/05/622695205.db2.gz PMTZLDBWIHUIDV-LBPRGKRZSA-N 0 0 323.439 3.337 20 10 DGCDRN CC(C)Nc1ccccc1NCC(=O)N(C)Cc1ccco1 ZINC000871845424 622714327 /nfs/dbraw/zinc/71/43/27/622714327.db2.gz AGVFCAIMIUYZOO-UHFFFAOYSA-N 0 0 301.390 3.170 20 10 DGCDRN COC(=O)c1csc(CNc2ccccc2NC(C)C)n1 ZINC000871846218 622714524 /nfs/dbraw/zinc/71/45/24/622714524.db2.gz VNHUQFQRMUZLRW-UHFFFAOYSA-N 0 0 305.403 3.362 20 10 DGCDRN CC(C)Nc1ccccc1NCC(=O)NCc1ccc(F)cc1 ZINC000871846860 622715116 /nfs/dbraw/zinc/71/51/16/622715116.db2.gz DMZJHBUUKOPFED-UHFFFAOYSA-N 0 0 315.392 3.374 20 10 DGCDRN CC(C)(CNC(=O)c1c(F)ccc(O)c1O)c1ccc(F)cc1 ZINC000789975369 625589596 /nfs/dbraw/zinc/58/95/96/625589596.db2.gz YXBKCXNOINXNDJ-UHFFFAOYSA-N 0 0 321.323 3.084 20 10 DGCDRN C[C@@H]1CCCN1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000888589578 622733537 /nfs/dbraw/zinc/73/35/37/622733537.db2.gz MFZRCIDAUUMQEW-CYBMUJFWSA-N 0 0 321.384 3.413 20 10 DGCDRN COC(=O)[C@H](c1ccccc1)N(C)Cc1ccc(N(C)C)cc1 ZINC000771524201 622771902 /nfs/dbraw/zinc/77/19/02/622771902.db2.gz DWMHMFOBPNLRLB-SFHVURJKSA-N 0 0 312.413 3.099 20 10 DGCDRN C/C=C/C[C@H](CO)NC(=O)c1sccc1-n1c(C)ccc1C ZINC000771620711 622781108 /nfs/dbraw/zinc/78/11/08/622781108.db2.gz NBSLHLYYWYKLTE-ISZGNANSSA-N 0 0 318.442 3.213 20 10 DGCDRN COc1ccc(N2CCN(C(=O)[C@@H]3CCCC3(C)C)CC2)cc1 ZINC000771866392 622805697 /nfs/dbraw/zinc/80/56/97/622805697.db2.gz BZZZHHYZZRELBP-KRWDZBQOSA-N 0 0 316.445 3.170 20 10 DGCDRN COc1ccc2c(c1)CC[C@@H]2c1nc(Cc2ccc(N)cc2)no1 ZINC000872170162 622848548 /nfs/dbraw/zinc/84/85/48/622848548.db2.gz DYZMGLMVACBFGR-KRWDZBQOSA-N 0 0 321.380 3.329 20 10 DGCDRN Nc1ccc(Cc2noc(C3([C@@H]4CCCCO4)CCC3)n2)cc1 ZINC000872171245 622849615 /nfs/dbraw/zinc/84/96/15/622849615.db2.gz QAXHBISFQRKBJT-HNNXBMFYSA-N 0 0 313.401 3.233 20 10 DGCDRN CC(C)(c1nc(Cc2ccc(N)cc2)no1)[C@@H]1CCCCO1 ZINC000872170521 622850333 /nfs/dbraw/zinc/85/03/33/622850333.db2.gz JEEHRYYPSWHGKG-AWEZNQCLSA-N 0 0 301.390 3.089 20 10 DGCDRN O=[N+]([O-])c1c(F)nccc1NCCCSc1nccs1 ZINC000881981721 625601030 /nfs/dbraw/zinc/60/10/30/625601030.db2.gz KYXMBAYRAAAYKA-UHFFFAOYSA-N 0 0 314.367 3.180 20 10 DGCDRN C[C@H](Nc1ccc2nnc(C3CC3)n2n1)c1ccc(N(C)C)cc1 ZINC000772298023 622881282 /nfs/dbraw/zinc/88/12/82/622881282.db2.gz PTVPOEXCORMMAE-LBPRGKRZSA-N 0 0 322.416 3.241 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCC(F)(c2ccccc2)CC1 ZINC000790092155 625602871 /nfs/dbraw/zinc/60/28/71/625602871.db2.gz DDNLCHBRXUVCBC-UHFFFAOYSA-N 0 0 315.344 3.199 20 10 DGCDRN COCCOc1ccccc1CN1CCc2cc(OC)ccc21 ZINC000772600747 622917221 /nfs/dbraw/zinc/91/72/21/622917221.db2.gz YNVXOKODYWVPGM-UHFFFAOYSA-N 0 0 313.397 3.283 20 10 DGCDRN C[C@@H](NC(=O)COc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000772995645 622963096 /nfs/dbraw/zinc/96/30/96/622963096.db2.gz QJDSMOMUROBSJF-CYBMUJFWSA-N 0 0 316.376 3.148 20 10 DGCDRN C[C@@H](NC(=O)C=C1CCSCC1)c1ccc(N(C)C)cc1 ZINC000773002163 622964192 /nfs/dbraw/zinc/96/41/92/622964192.db2.gz YKMZYHVYUQLFLG-CYBMUJFWSA-N 0 0 304.459 3.383 20 10 DGCDRN Cc1cc(C)n([C@@H](C)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000773009101 622964725 /nfs/dbraw/zinc/96/47/25/622964725.db2.gz PDBHXQWPIPKNBW-GJZGRUSLSA-N 0 0 314.433 3.004 20 10 DGCDRN Cc1cc(C)n([C@H](C)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000773009110 622964743 /nfs/dbraw/zinc/96/47/43/622964743.db2.gz PDBHXQWPIPKNBW-HUUCEWRRSA-N 0 0 314.433 3.004 20 10 DGCDRN C[C@@H](NC(=O)CSCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773013176 622967338 /nfs/dbraw/zinc/96/73/38/622967338.db2.gz JGRSAKCYIGXAAF-SNVBAGLBSA-N 0 0 320.380 3.225 20 10 DGCDRN C[C@H](NC(=O)[C@H]1COc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000773013285 622967402 /nfs/dbraw/zinc/96/74/02/622967402.db2.gz KANPXLUUIUDCHJ-WMLDXEAASA-N 0 0 324.424 3.181 20 10 DGCDRN C[C@@H](NC(=O)[C@@H]1CCOc2ccccc21)c1ccc(N(C)C)cc1 ZINC000773016273 622967831 /nfs/dbraw/zinc/96/78/31/622967831.db2.gz AQJZAEZRZUDQSY-RDTXWAMCSA-N 0 0 324.424 3.496 20 10 DGCDRN Cc1nc(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C)s1 ZINC000773016819 622968047 /nfs/dbraw/zinc/96/80/47/622968047.db2.gz CAMYPVXWEOQJBT-LLVKDONJSA-N 0 0 317.458 3.246 20 10 DGCDRN C[C@H](NC(=O)[C@H]1CCOc2ccccc21)c1ccc(N(C)C)cc1 ZINC000773016272 622968416 /nfs/dbraw/zinc/96/84/16/622968416.db2.gz AQJZAEZRZUDQSY-KSSFIOAISA-N 0 0 324.424 3.496 20 10 DGCDRN C[C@H](NC(=O)CC[C@H]1CC[C@@H](C)O1)c1ccc(N(C)C)cc1 ZINC000773019484 622968859 /nfs/dbraw/zinc/96/88/59/622968859.db2.gz MBVQLWBVRSATIY-JKIFEVAISA-N 0 0 304.434 3.278 20 10 DGCDRN Cc1cc(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C)o1 ZINC000773084286 622980457 /nfs/dbraw/zinc/98/04/57/622980457.db2.gz NUCMQBFJMVVFBS-GFCCVEGCSA-N 0 0 322.430 3.002 20 10 DGCDRN CCC(CC)CS(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773088244 622982048 /nfs/dbraw/zinc/98/20/48/622982048.db2.gz NRVUPHAXQFPJCW-CYBMUJFWSA-N 0 0 312.479 3.169 20 10 DGCDRN Cc1csc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000773136923 622989998 /nfs/dbraw/zinc/98/99/98/622989998.db2.gz CBWHQQBTLSGFFI-GFCCVEGCSA-N 0 0 318.446 3.078 20 10 DGCDRN C[C@@H](NC(=O)Nn1cnc2ccccc21)c1ccc(N(C)C)cc1 ZINC000773135474 622990035 /nfs/dbraw/zinc/99/00/35/622990035.db2.gz NBEYRTINXYFDKI-CYBMUJFWSA-N 0 0 323.400 3.117 20 10 DGCDRN C[C@@H](Cc1ccco1)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773193783 622997787 /nfs/dbraw/zinc/99/77/87/622997787.db2.gz YJGXXVQUWNEWQQ-KBPBESRZSA-N 0 0 315.417 3.337 20 10 DGCDRN CC(=O)CCCC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000773334968 623014759 /nfs/dbraw/zinc/01/47/59/623014759.db2.gz WCLHQDUYMDXZOG-UHFFFAOYSA-N 0 0 315.369 3.273 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1CCOC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000773417691 623024967 /nfs/dbraw/zinc/02/49/67/623024967.db2.gz LLOGBMMLQSERJN-UKRRQHHQSA-N 0 0 319.449 3.070 20 10 DGCDRN COCCC(C)(C)CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773446628 623028008 /nfs/dbraw/zinc/02/80/08/623028008.db2.gz NZVNQEBQHACXFW-CQSZACIVSA-N 0 0 321.465 3.176 20 10 DGCDRN CCCOc1ccc(CNCc2nnc(C(C)C)[nH]2)cc1C ZINC000873129498 623042571 /nfs/dbraw/zinc/04/25/71/623042571.db2.gz PAFNDWKHEVWPFW-UHFFFAOYSA-N 0 0 302.422 3.315 20 10 DGCDRN CCCOc1ccc(CN[C@H]2C[C@@H](C)n3ncnc32)cc1C ZINC000873135533 623045906 /nfs/dbraw/zinc/04/59/06/623045906.db2.gz YKJBRCQSFHVJQH-HIFRSBDPSA-N 0 0 300.406 3.171 20 10 DGCDRN CCO[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773610729 623050582 /nfs/dbraw/zinc/05/05/82/623050582.db2.gz FVMAFPHVUHQLIB-RHSMWYFYSA-N 0 0 319.449 3.024 20 10 DGCDRN C[C@@H](NC(=O)N1CCC[C@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000773615992 623051697 /nfs/dbraw/zinc/05/16/97/623051697.db2.gz CQFHSHQVDIVTJD-DYVFJYSZSA-N 0 0 301.434 3.398 20 10 DGCDRN C[C@@H](NC(=O)N(C)Cc1cccnc1)c1ccc(N(C)C)cc1 ZINC000773621441 623051743 /nfs/dbraw/zinc/05/17/43/623051743.db2.gz YVUKMOOOLFZJAC-CQSZACIVSA-N 0 0 312.417 3.050 20 10 DGCDRN C[C@@H](NC(=O)N1CCC[C@@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000773615991 623051872 /nfs/dbraw/zinc/05/18/72/623051872.db2.gz CQFHSHQVDIVTJD-CXAGYDPISA-N 0 0 301.434 3.398 20 10 DGCDRN CN(C)c1cc(F)c(CNCc2ncc(Cl)s2)cc1F ZINC000873164090 623058617 /nfs/dbraw/zinc/05/86/17/623058617.db2.gz DLVHOTICJUWNKY-UHFFFAOYSA-N 0 0 317.792 3.431 20 10 DGCDRN Cc1ccc(O)c(CNCc2noc3c2CC(C)(C)CC3)c1 ZINC000873175378 623062117 /nfs/dbraw/zinc/06/21/17/623062117.db2.gz UKWHGFKNJGQHIG-UHFFFAOYSA-N 0 0 300.402 3.493 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2occc2s1 ZINC000773763181 623069834 /nfs/dbraw/zinc/06/98/34/623069834.db2.gz MGXHLBMHUZHGCS-SECBINFHSA-N 0 0 317.366 3.267 20 10 DGCDRN CCOC(=O)CN(Cc1ccc(N(C)CC)cc1)C(C)(C)C ZINC000773767713 623070424 /nfs/dbraw/zinc/07/04/24/623070424.db2.gz ZNBBCFJRMLQINU-UHFFFAOYSA-N 0 0 306.450 3.306 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)CC2(OC)CCC2)cc1 ZINC000790231956 625619954 /nfs/dbraw/zinc/61/99/54/625619954.db2.gz VWEOUAGUSNRLSB-UHFFFAOYSA-N 0 0 318.461 3.450 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1Cc2ccccc2CN1)c1cc(F)cc(F)c1[O-] ZINC000873294269 623106513 /nfs/dbraw/zinc/10/65/13/623106513.db2.gz RKNXCPCNVQIDGD-IAQYHMDHSA-N 0 0 318.367 3.036 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1Cc2ccccc2CN1)c1cc(F)cc(F)c1[O-] ZINC000873294271 623106948 /nfs/dbraw/zinc/10/69/48/623106948.db2.gz RKNXCPCNVQIDGD-XHDPSFHLSA-N 0 0 318.367 3.036 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CCCN(C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774137142 623111146 /nfs/dbraw/zinc/11/11/46/623111146.db2.gz VUIONIRYMVFXOT-ZJUUUORDSA-N 0 0 303.233 3.444 20 10 DGCDRN CC[S@](=O)CC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774181038 623116653 /nfs/dbraw/zinc/11/66/53/623116653.db2.gz DPCBIJGKXHQPQR-CVJBHZAOSA-N 0 0 310.246 3.118 20 10 DGCDRN Cc1cc(Br)cc(CN2C[C@@H](C)O[C@H](C)C2)c1O ZINC000124497860 623127816 /nfs/dbraw/zinc/12/78/16/623127816.db2.gz DAEITPCETJIOSP-GHMZBOCLSA-N 0 0 314.223 3.072 20 10 DGCDRN C[C@@H]([NH2+][C@H](CO)CC(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000774381352 623138523 /nfs/dbraw/zinc/13/85/23/623138523.db2.gz MGMJIXDGDKSOQI-RQJHMYQMSA-N 0 0 314.159 3.366 20 10 DGCDRN CCOC(=O)[C@H](CC(C)C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774481209 623151185 /nfs/dbraw/zinc/15/11/85/623151185.db2.gz HQWQFFDABNHYEO-PBHICJAKSA-N 0 0 306.450 3.381 20 10 DGCDRN CCOC(=O)[C@H](CC(C)C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774481220 623151402 /nfs/dbraw/zinc/15/14/02/623151402.db2.gz HQWQFFDABNHYEO-YOEHRIQHSA-N 0 0 306.450 3.381 20 10 DGCDRN CC[C@@H](O)CCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000124554539 623159564 /nfs/dbraw/zinc/15/95/64/623159564.db2.gz AYWAZFHWTRVVHE-MRXNPFEDSA-N 0 0 318.392 3.124 20 10 DGCDRN CCN(CC)c1ccc(CNc2ccc(-n3cncn3)cn2)cc1 ZINC000790244910 625622565 /nfs/dbraw/zinc/62/25/65/625622565.db2.gz OMBOGNPRSGBBPK-UHFFFAOYSA-N 0 0 322.416 3.121 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CCC[C@H]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000774877434 623204010 /nfs/dbraw/zinc/20/40/10/623204010.db2.gz XLKWIAJOKNPSIX-ZDUSSCGKSA-N 0 0 308.378 3.320 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CC[C@@H](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000774887191 623204826 /nfs/dbraw/zinc/20/48/26/623204826.db2.gz PJFYKMJHDUWALH-LBPRGKRZSA-N 0 0 308.378 3.177 20 10 DGCDRN CC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000774904084 623206791 /nfs/dbraw/zinc/20/67/91/623206791.db2.gz BUNPRTZHYYVTBD-GFCCVEGCSA-N 0 0 308.378 3.321 20 10 DGCDRN COc1c(O)c(CNc2cc(F)cc(F)c2)ccc1[N+](=O)[O-] ZINC000774934386 623209752 /nfs/dbraw/zinc/20/97/52/623209752.db2.gz IMHAZNWUTQSJRR-UHFFFAOYSA-N 0 0 310.256 3.199 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775016096 623216780 /nfs/dbraw/zinc/21/67/80/623216780.db2.gz NZTATAILVIYSHS-GMXVVIOVSA-N 0 0 308.378 3.223 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CC[C@]3(CC[C@@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000775054246 623221976 /nfs/dbraw/zinc/22/19/76/623221976.db2.gz MFYKUKOWERIZNS-PXAZEXFGSA-N 0 0 320.389 3.321 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CC[C@H](C)C3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000775056790 623222659 /nfs/dbraw/zinc/22/26/59/623222659.db2.gz MKLFGMXUAFOVNO-LBPRGKRZSA-N 0 0 320.389 3.321 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2C[C@@H](C)CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000775060016 623223498 /nfs/dbraw/zinc/22/34/98/623223498.db2.gz DXOTVFXPPMSQLS-NSHDSACASA-N 0 0 308.378 3.177 20 10 DGCDRN COc1ccc(N(C)CCCNC(=O)OC(C)(C)C)cc1OC ZINC000775063577 623224308 /nfs/dbraw/zinc/22/43/08/623224308.db2.gz TXWRHSVTRVQSLN-UHFFFAOYSA-N 0 0 324.421 3.055 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@@H]2CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000775109413 623232079 /nfs/dbraw/zinc/23/20/79/623232079.db2.gz WJODAKQQDSOCMV-GFCCVEGCSA-N 0 0 308.378 3.367 20 10 DGCDRN C[C@H](NC/C(Cl)=C/Cl)c1ccc(N2CCOCC2)cc1 ZINC000775255050 623246692 /nfs/dbraw/zinc/24/66/92/623246692.db2.gz NTGJQJOIHITBJK-GVIGZQTCSA-N 0 0 315.244 3.493 20 10 DGCDRN C[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874187364 623247797 /nfs/dbraw/zinc/24/77/97/623247797.db2.gz AVDNEGSMAWMXDK-DGCLKSJQSA-N 0 0 302.378 3.405 20 10 DGCDRN COc1cc(Cl)ccc1NC(=O)c1ccc(C)c(O)c1O ZINC000775346140 623257201 /nfs/dbraw/zinc/25/72/01/623257201.db2.gz KAVAKKQQOQSGHP-UHFFFAOYSA-N 0 0 307.733 3.321 20 10 DGCDRN Cc1ccc(/C=C\C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000775402139 623269700 /nfs/dbraw/zinc/26/97/00/623269700.db2.gz BNRUUKQNGDMRON-WASHYIJTSA-N 0 0 309.413 3.347 20 10 DGCDRN C[C@@H](NC(=O)CN(C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000775407397 623270517 /nfs/dbraw/zinc/27/05/17/623270517.db2.gz UDPBIIJKMNHNOI-OAHLLOKOSA-N 0 0 311.429 3.066 20 10 DGCDRN CC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775409887 623270841 /nfs/dbraw/zinc/27/08/41/623270841.db2.gz HNYCDJSDGHPLOD-CYBMUJFWSA-N 0 0 310.397 3.446 20 10 DGCDRN Cc1ccncc1/C=C\C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775411189 623271328 /nfs/dbraw/zinc/27/13/28/623271328.db2.gz PINOUOZTIFNYDD-XMELGKRDSA-N 0 0 309.413 3.347 20 10 DGCDRN CCCc1nc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)co1 ZINC000775412365 623272089 /nfs/dbraw/zinc/27/20/89/623272089.db2.gz XEWUDYUKSYGULV-LBPRGKRZSA-N 0 0 301.390 3.184 20 10 DGCDRN C[C@@H]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 ZINC000874472049 623276121 /nfs/dbraw/zinc/27/61/21/623276121.db2.gz UVMDUJQQLPFXRG-GYSYKLTISA-N 0 0 302.378 3.404 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)NOC2CCCC2)C2CC2)cc1 ZINC000775485890 623278912 /nfs/dbraw/zinc/27/89/12/623278912.db2.gz BLBFLAJIBHUIHU-UHFFFAOYSA-N 0 0 317.433 3.301 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CCN(C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775498452 623280534 /nfs/dbraw/zinc/28/05/34/623280534.db2.gz KFJRHAHIUBKLOO-SKDRFNHKSA-N 0 0 303.233 3.444 20 10 DGCDRN Cc1cccc(CN(C)CC(=O)Nc2ccccc2Cl)c1O ZINC000775643499 623302679 /nfs/dbraw/zinc/30/26/79/623302679.db2.gz ZKGWNGDKLKLBIH-UHFFFAOYSA-N 0 0 318.804 3.425 20 10 DGCDRN C[C@H](O)C[N@H+](Cc1ccccc1)Cc1cccc(Cl)c1[O-] ZINC000775659458 623307300 /nfs/dbraw/zinc/30/73/00/623307300.db2.gz WZHZTJYULCFJGO-ZDUSSCGKSA-N 0 0 305.805 3.429 20 10 DGCDRN COC(=O)CN(Cc1cc(Cl)cc(F)c1[O-])C1CCCC1 ZINC000775726847 623320014 /nfs/dbraw/zinc/32/00/14/623320014.db2.gz YPNHSONBZVDYFX-UHFFFAOYSA-N 0 0 315.772 3.102 20 10 DGCDRN CCN(C(=O)/C=C/c1cnc(OC)nc1)c1cc(C)cc(C)c1 ZINC000775782199 623331333 /nfs/dbraw/zinc/33/13/33/623331333.db2.gz DGCICVHXMVQQTH-VOTSOKGWSA-N 0 0 311.385 3.168 20 10 DGCDRN CN(C)[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccco1 ZINC000775797877 623333251 /nfs/dbraw/zinc/33/32/51/623333251.db2.gz CRLHWMNBBYIUNU-CYBMUJFWSA-N 0 0 312.772 3.170 20 10 DGCDRN CC(C)Cc1noc(CN[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775833966 623339795 /nfs/dbraw/zinc/33/97/95/623339795.db2.gz IWPOGYZHSCXABX-CYBMUJFWSA-N 0 0 302.422 3.185 20 10 DGCDRN COc1ccc(O)c(CN2C[C@H](C)Oc3c(F)cccc32)c1 ZINC000776009923 623363470 /nfs/dbraw/zinc/36/34/70/623363470.db2.gz YZLCAKSBSBTQOY-NSHDSACASA-N 0 0 303.333 3.327 20 10 DGCDRN COc1cccc(CN2C[C@@H](C)Oc3c(F)cccc32)c1O ZINC000776008079 623363945 /nfs/dbraw/zinc/36/39/45/623363945.db2.gz RCYHGGFTINDHOA-LLVKDONJSA-N 0 0 303.333 3.327 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC[C@@H](C)C1 ZINC000776150520 623382750 /nfs/dbraw/zinc/38/27/50/623382750.db2.gz PLXIMLMKTGJRFF-CQSZACIVSA-N 0 0 303.450 3.393 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000776175650 623390134 /nfs/dbraw/zinc/39/01/34/623390134.db2.gz WDXFDWWMUHPHNI-CQSZACIVSA-N 0 0 313.731 3.147 20 10 DGCDRN CCC(CC)(CC(=O)OC)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776222397 623399072 /nfs/dbraw/zinc/39/90/72/623399072.db2.gz KPCCOSCWTILRIO-UHFFFAOYSA-N 0 0 317.788 3.396 20 10 DGCDRN C[C@H](NC(=O)N1CCCOC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000776237946 623400839 /nfs/dbraw/zinc/40/08/39/623400839.db2.gz KNUCGFGLEDHHKJ-AWEZNQCLSA-N 0 0 319.449 3.024 20 10 DGCDRN CCN(C[C@H]1CCCO1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776244455 623400990 /nfs/dbraw/zinc/40/09/90/623400990.db2.gz JKNCGHGCYLYRTB-RHSMWYFYSA-N 0 0 319.449 3.024 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000776253944 623401612 /nfs/dbraw/zinc/40/16/12/623401612.db2.gz XSYRUPKYNUSZON-KRWDZBQOSA-N 0 0 321.779 3.108 20 10 DGCDRN Cc1cc(O)c(CN[C@H](C(=O)OC(C)(C)C)C(C)C)cc1C ZINC000776251347 623401986 /nfs/dbraw/zinc/40/19/86/623401986.db2.gz BUHNBSVMEVQTDI-INIZCTEOSA-N 0 0 307.434 3.465 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000776300975 623408151 /nfs/dbraw/zinc/40/81/51/623408151.db2.gz IZUPQKUSXHHOOI-DOTOQJQBSA-N 0 0 318.461 3.305 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)[C@@H]3CC[C@@H](C)C3)CC2)cc1 ZINC000776308198 623409970 /nfs/dbraw/zinc/40/99/70/623409970.db2.gz HFCCSSWVPQNOBP-HZPDHXFCSA-N 0 0 316.445 3.170 20 10 DGCDRN C[C@@H](Cc1ccsc1)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875134638 623419533 /nfs/dbraw/zinc/41/95/33/623419533.db2.gz DPPACRJRMXPLJS-NSHDSACASA-N 0 0 302.399 3.110 20 10 DGCDRN O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)N1Cc2cccc(O)c2C1 ZINC000875173794 623424497 /nfs/dbraw/zinc/42/44/97/623424497.db2.gz WRNLWPNJNNNNMS-GDBMZVCRSA-N 0 0 312.344 3.113 20 10 DGCDRN C[C@H](NC(=O)NCc1cccc(N(C)C)c1)c1ccccc1O ZINC000875184996 623425906 /nfs/dbraw/zinc/42/59/06/623425906.db2.gz VIUOOPHEOKGYAG-ZDUSSCGKSA-N 0 0 313.401 3.019 20 10 DGCDRN CCC(CC)(CNC(=O)N1Cc2cccc(O)c2C1)SC ZINC000875322781 623437398 /nfs/dbraw/zinc/43/73/98/623437398.db2.gz KDNDLTWKLSWQGV-UHFFFAOYSA-N 0 0 308.447 3.339 20 10 DGCDRN CCS[C@@H]1CCC[C@H](NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000875343060 623439760 /nfs/dbraw/zinc/43/97/60/623439760.db2.gz SAMIIBVJLCJVNR-UONOGXRCSA-N 0 0 320.458 3.482 20 10 DGCDRN Cc1cc(F)ccc1CCNC(=O)N1Cc2cccc(O)c2C1 ZINC000875363350 623441077 /nfs/dbraw/zinc/44/10/77/623441077.db2.gz TZSLMGDRRYMZLJ-UHFFFAOYSA-N 0 0 314.360 3.108 20 10 DGCDRN CC1(F)CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000875374778 623443206 /nfs/dbraw/zinc/44/32/06/623443206.db2.gz PXNGEOHPTJJURN-UHFFFAOYSA-N 0 0 317.455 3.159 20 10 DGCDRN CCC(CC)[C@H](CCNC(=O)N1Cc2cccc(O)c2C1)OC ZINC000875408526 623447336 /nfs/dbraw/zinc/44/73/36/623447336.db2.gz KPYPWIGTIBVPQE-KRWDZBQOSA-N 0 0 320.433 3.259 20 10 DGCDRN CC[C@H](NC(=O)N1Cc2cccc(O)c2C1)c1c(C)noc1C ZINC000875428285 623449312 /nfs/dbraw/zinc/44/93/12/623449312.db2.gz GYCSETTUUNTDFP-AWEZNQCLSA-N 0 0 315.373 3.174 20 10 DGCDRN Cc1ncsc1/C=C/C(=O)N1C[C@H](C)Oc2ccccc21 ZINC000776839125 623469801 /nfs/dbraw/zinc/46/98/01/623469801.db2.gz OVWVLZOCZJWBDO-AEZGRPFRSA-N 0 0 300.383 3.279 20 10 DGCDRN O=C(NC[C@@H]1CCCCC1(F)F)N1Cc2cccc(O)c2C1 ZINC000875628387 623472652 /nfs/dbraw/zinc/47/26/52/623472652.db2.gz GQSAAGJIQPISHO-LBPRGKRZSA-N 0 0 310.344 3.243 20 10 DGCDRN C[C@@H]1C[C@@H](NC(=O)N2Cc3cccc(O)c3C2)c2ccccc2O1 ZINC000875632320 623473219 /nfs/dbraw/zinc/47/32/19/623473219.db2.gz CGCBDXBAKILONC-MLGOLLRUSA-N 0 0 324.380 3.330 20 10 DGCDRN C[C@@H](CNC(=O)N1Cc2cccc(O)c2C1)CC(F)(F)F ZINC000875668224 623478008 /nfs/dbraw/zinc/47/80/08/623478008.db2.gz WXCRJNAAEONNNN-SECBINFHSA-N 0 0 302.296 3.006 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C1CC1)C1CC1 ZINC000875673826 623478568 /nfs/dbraw/zinc/47/85/68/623478568.db2.gz UARLMUYEHLBMDB-AWEZNQCLSA-N 0 0 315.461 3.328 20 10 DGCDRN O=C(NC[C@H]1C[C@@H]1c1ccccc1)N1Cc2cccc(O)c2C1 ZINC000875689028 623480275 /nfs/dbraw/zinc/48/02/75/623480275.db2.gz VGGJZENJAWWBDL-HZPDHXFCSA-N 0 0 308.381 3.221 20 10 DGCDRN C/C=C\CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000875876860 623502016 /nfs/dbraw/zinc/50/20/16/623502016.db2.gz UFJHQXBPGTZNKP-ARJAWSKDSA-N 0 0 301.434 3.394 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1C[C@@H](OC)C1 ZINC000875915813 623508198 /nfs/dbraw/zinc/50/81/98/623508198.db2.gz UNOGTMLIOHOTFR-FZNQNYSPSA-N 0 0 320.433 3.129 20 10 DGCDRN CC(Cl)(Cl)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000777372485 623516432 /nfs/dbraw/zinc/51/64/32/623516432.db2.gz JVGYSUZUHSPXBA-UHFFFAOYSA-N 0 0 315.244 3.487 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCCc1nccs1 ZINC000777485340 623530735 /nfs/dbraw/zinc/53/07/35/623530735.db2.gz VACMSIPQKWPDTI-UHFFFAOYSA-N 0 0 300.786 3.364 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCCC(C)(C)OC ZINC000876079593 623540901 /nfs/dbraw/zinc/54/09/01/623540901.db2.gz OYLVAHDLFXFQJB-UHFFFAOYSA-N 0 0 308.422 3.129 20 10 DGCDRN COc1ccc(N2CCC(Nc3c(C)nn(C)c3C)CC2)cc1 ZINC000777578456 623544387 /nfs/dbraw/zinc/54/43/87/623544387.db2.gz IXTBWMSUHFMRSL-UHFFFAOYSA-N 0 0 314.433 3.126 20 10 DGCDRN C[C@H](NC(=O)NC[C@@H]1CCC(C)(C)O1)c1ccc(N(C)C)cc1 ZINC000777637167 623550425 /nfs/dbraw/zinc/55/04/25/623550425.db2.gz HAAFAIJASFRGCM-BBRMVZONSA-N 0 0 319.449 3.070 20 10 DGCDRN Cc1cnccc1CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000777638649 623551264 /nfs/dbraw/zinc/55/12/64/623551264.db2.gz XAGXWMRNZBCXTL-AWEZNQCLSA-N 0 0 312.417 3.016 20 10 DGCDRN Cc1ccc(CSCCNC(=O)c2cccc(O)c2O)cc1 ZINC000790481569 625659356 /nfs/dbraw/zinc/65/93/56/625659356.db2.gz GHRIECAPLBXXON-UHFFFAOYSA-N 0 0 317.410 3.069 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)COC(C)(C)C)cc1 ZINC000777915341 623584527 /nfs/dbraw/zinc/58/45/27/623584527.db2.gz UJUWREXMGVNSCD-UHFFFAOYSA-N 0 0 306.450 3.306 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CC(C)(C)CO1 ZINC000876330718 623586487 /nfs/dbraw/zinc/58/64/87/623586487.db2.gz ORYXEYDSOGTKEA-HNNXBMFYSA-N 0 0 320.433 3.129 20 10 DGCDRN CC(C)[C@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000777968043 623593249 /nfs/dbraw/zinc/59/32/49/623593249.db2.gz KZFIXUPPVSHYDM-MRXNPFEDSA-N 0 0 307.434 3.252 20 10 DGCDRN CC[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1cccc(Cl)c1[O-] ZINC000806147980 623612954 /nfs/dbraw/zinc/61/29/54/623612954.db2.gz BRPSNXCNBWVZDV-JXBWDGJFSA-N 0 0 303.855 3.243 20 10 DGCDRN CC[C@H](C)CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000790512445 625663200 /nfs/dbraw/zinc/66/32/00/625663200.db2.gz AGVQKYFSVFMZFD-GJZGRUSLSA-N 0 0 304.434 3.137 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CCO[C@@H](C(C)C)C2)c1O ZINC000778242051 623631718 /nfs/dbraw/zinc/63/17/18/623631718.db2.gz QTGQPXXEOGHXOB-OAHLLOKOSA-N 0 0 311.809 3.105 20 10 DGCDRN C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1ccc(F)c(F)c1[O-] ZINC000876539459 623638132 /nfs/dbraw/zinc/63/81/32/623638132.db2.gz HHRCJFMDUDVOBL-UHFFFAOYSA-N 0 0 321.323 3.074 20 10 DGCDRN Cc1nc(-c2ccc(NC(=O)c3cccc(O)c3O)cc2)co1 ZINC000790525898 625664615 /nfs/dbraw/zinc/66/46/15/625664615.db2.gz QZVZKJREQKLAIA-UHFFFAOYSA-N 0 0 310.309 3.314 20 10 DGCDRN Cc1cc(C(=O)N[C@H](CO)C(C)C)c(C)n1-c1ccccc1C ZINC000778407762 623654399 /nfs/dbraw/zinc/65/43/99/623654399.db2.gz ROIBAUAQQASONK-QGZVFWFLSA-N 0 0 314.429 3.149 20 10 DGCDRN CCc1nc([C@@H]2CCCCN2Cc2c(C)cccc2O)no1 ZINC000876627895 623663957 /nfs/dbraw/zinc/66/39/57/623663957.db2.gz KMCWOQGIWHHJFW-AWEZNQCLSA-N 0 0 301.390 3.373 20 10 DGCDRN CCOc1ccc(N(CC)Cc2ncnn2CC(C)C)cc1 ZINC000778949710 623714425 /nfs/dbraw/zinc/71/44/25/623714425.db2.gz SEJOQUXWSYNDII-UHFFFAOYSA-N 0 0 302.422 3.359 20 10 DGCDRN COCCOc1cc(NCc2c(C)cccc2O)ccc1OC ZINC000876822610 623719082 /nfs/dbraw/zinc/71/90/82/623719082.db2.gz CWTQDKAVRRKQRL-UHFFFAOYSA-N 0 0 317.385 3.347 20 10 DGCDRN Oc1ccc(F)cc1CN1CCc2c(cnn2-c2ccccc2)C1 ZINC000778999544 623719732 /nfs/dbraw/zinc/71/97/32/623719732.db2.gz HBPWQLKLHVKNLD-UHFFFAOYSA-N 0 0 323.371 3.275 20 10 DGCDRN COc1ccc(C(=O)N(C)C)cc1NCc1c(C)cccc1O ZINC000876849434 623728162 /nfs/dbraw/zinc/72/81/62/623728162.db2.gz QZGUFQJXRNUANT-UHFFFAOYSA-N 0 0 314.385 3.023 20 10 DGCDRN COC(=O)[C@@H](NCc1cc(C)c(C)cc1O)c1ccccc1F ZINC000779178304 623739043 /nfs/dbraw/zinc/73/90/43/623739043.db2.gz NCOHKXRZUREPKZ-KRWDZBQOSA-N 0 0 317.360 3.152 20 10 DGCDRN CC[C@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1cccc(Cl)c1[O-] ZINC000806148079 623753543 /nfs/dbraw/zinc/75/35/43/623753543.db2.gz QHHDYKFCJBWNPC-FZMZJTMJSA-N 0 0 324.852 3.486 20 10 DGCDRN [O-]c1c(C[NH2+]C2CCN(c3ccccc3)CC2)ccc(F)c1F ZINC000876963351 623755637 /nfs/dbraw/zinc/75/56/37/623755637.db2.gz MRLZVSSGMFZPEO-UHFFFAOYSA-N 0 0 318.367 3.429 20 10 DGCDRN C[C@@H]1CCN(C(=O)NCCCSc2nccs2)C[C@@H]1F ZINC000779363496 623763668 /nfs/dbraw/zinc/76/36/68/623763668.db2.gz FVLMQYWLFXSTHW-MNOVXSKESA-N 0 0 317.455 3.015 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@H](O)c1ccc(F)cc1 ZINC000877034476 623771213 /nfs/dbraw/zinc/77/12/13/623771213.db2.gz IKQRLCPJCPTYHU-PSLIRLAXSA-N 0 0 311.303 3.021 20 10 DGCDRN [O-]c1c(C[NH2+]CCc2nc3c(s2)CCCC3)ccc(F)c1F ZINC000877033204 623771471 /nfs/dbraw/zinc/77/14/71/623771471.db2.gz RZZDYXJWJWKWBZ-UHFFFAOYSA-N 0 0 324.396 3.338 20 10 DGCDRN C[C@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)Cc2ccccc21 ZINC000779489572 623774156 /nfs/dbraw/zinc/77/41/56/623774156.db2.gz QPXUCLZRJJFPTD-JWJUJFCLSA-N 0 0 309.365 3.257 20 10 DGCDRN Cc1ccc([C@@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)s1 ZINC000779501216 623775038 /nfs/dbraw/zinc/77/50/38/623775038.db2.gz VANIYKSBIUTLOF-UIJKISKDSA-N 0 0 303.383 3.358 20 10 DGCDRN CN(Cc1ccc(F)cc1F)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779492751 623775152 /nfs/dbraw/zinc/77/51/52/623775152.db2.gz JPGFDDNRZMULDI-CLTKARDFSA-N 0 0 319.307 3.048 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC1(c2ccc(F)cc2)CC1 ZINC000779513256 623776664 /nfs/dbraw/zinc/77/66/64/623776664.db2.gz GGWDWLYLXZSLPL-KRXBUXKQSA-N 0 0 313.328 3.056 20 10 DGCDRN C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779527189 623777284 /nfs/dbraw/zinc/77/72/84/623777284.db2.gz CNHCIJSXXZVVTK-RCOIXESOSA-N 0 0 303.402 3.442 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000779525546 623777306 /nfs/dbraw/zinc/77/73/06/623777306.db2.gz QUQKZAIUPGKNOS-GFJZXIFWSA-N 0 0 301.386 3.196 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC(=O)[C@@H](C)C1 ZINC000779547269 623777937 /nfs/dbraw/zinc/77/79/37/623777937.db2.gz NRIMWLCGAUUEPQ-AWEZNQCLSA-N 0 0 324.424 3.454 20 10 DGCDRN CC[C@H](C)n1nc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1C ZINC000779543818 623778135 /nfs/dbraw/zinc/77/81/35/623778135.db2.gz FVEQORYVUVMLKF-JYKYSHPRSA-N 0 0 315.373 3.226 20 10 DGCDRN Cc1cc(C(=O)N2CCC(=O)[C@@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000779538766 623778150 /nfs/dbraw/zinc/77/81/50/623778150.db2.gz CISLXPVVZRBLJL-AWEZNQCLSA-N 0 0 324.424 3.454 20 10 DGCDRN CCCCn1ncc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1C ZINC000779538371 623778371 /nfs/dbraw/zinc/77/83/71/623778371.db2.gz YUERKJRFYCOTQP-VURMDHGXSA-N 0 0 315.373 3.055 20 10 DGCDRN COCC1(C)CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000779606134 623781147 /nfs/dbraw/zinc/78/11/47/623781147.db2.gz LXVFHQOERNUDPH-UHFFFAOYSA-N 0 0 301.789 3.433 20 10 DGCDRN COc1ccc2c(c1)OCC[C@@H]2[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877064793 623781914 /nfs/dbraw/zinc/78/19/14/623781914.db2.gz UFMXKWBHCVNTPY-AWEZNQCLSA-N 0 0 321.323 3.292 20 10 DGCDRN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N(C)c2ccc(N)cc2)cc1 ZINC000877080963 623786484 /nfs/dbraw/zinc/78/64/84/623786484.db2.gz SFTMLRUQGQHHEF-PXAZEXFGSA-N 0 0 323.396 3.140 20 10 DGCDRN CC/C(C)=C(/C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000779717464 623789813 /nfs/dbraw/zinc/78/98/13/623789813.db2.gz BOBKTLVPRNFMIR-PFONDFGASA-N 0 0 302.418 3.090 20 10 DGCDRN C[C@@H](O)C[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])c1ccccc1 ZINC000877093584 623789990 /nfs/dbraw/zinc/78/99/90/623789990.db2.gz JYNJSBMSAXFILB-IUODEOHRSA-N 0 0 321.367 3.315 20 10 DGCDRN CN1CC[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])[C@@H]1c1ccccc1 ZINC000877127443 623797821 /nfs/dbraw/zinc/79/78/21/623797821.db2.gz HDMDQDNOGXKUSN-RDJZCZTQSA-N 0 0 318.367 3.205 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CC2(OC)CCC2)cc1F ZINC000790606037 625677251 /nfs/dbraw/zinc/67/72/51/625677251.db2.gz CZWCXDFYDXGJPP-UHFFFAOYSA-N 0 0 322.424 3.247 20 10 DGCDRN COCCn1ncc2ccc(NCc3c(C)cccc3O)cc21 ZINC000877160079 623811317 /nfs/dbraw/zinc/81/13/17/623811317.db2.gz RKBMXGMROOCXFN-UHFFFAOYSA-N 0 0 311.385 3.309 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1cc2c(cc[nH]c2=O)o1 ZINC000877180649 623819538 /nfs/dbraw/zinc/81/95/38/623819538.db2.gz RTFWHMISYOKQPS-UHFFFAOYSA-N 0 0 310.353 3.495 20 10 DGCDRN COc1cc(N(C)Cc2cc(C)ns2)cc(OC)c1OC ZINC000877179516 623819726 /nfs/dbraw/zinc/81/97/26/623819726.db2.gz DJKHERWGQVGRFY-UHFFFAOYSA-N 0 0 308.403 3.114 20 10 DGCDRN COC(=O)[C@@H](NCc1ccc(C)cc1O)c1ccc(F)c(C)c1 ZINC000877427352 623877044 /nfs/dbraw/zinc/87/70/44/623877044.db2.gz JVJYUCCSWLCSEN-KRWDZBQOSA-N 0 0 317.360 3.152 20 10 DGCDRN C[C@H]1CC[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000780296709 623907519 /nfs/dbraw/zinc/90/75/19/623907519.db2.gz CFJIBJHGIJKCFJ-HOCLYGCPSA-N 0 0 301.434 3.275 20 10 DGCDRN CC(C)n1ccc(NCc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000877493759 623910418 /nfs/dbraw/zinc/91/04/18/623910418.db2.gz DRZKGWHMPKGMND-UHFFFAOYSA-N 0 0 314.433 3.037 20 10 DGCDRN CCc1ccc([C@@H](O)C[NH2+]Cc2ccc(F)c(F)c2[O-])cc1 ZINC000877514834 623918367 /nfs/dbraw/zinc/91/83/67/623918367.db2.gz QSDFTASWWDDFRP-HNNXBMFYSA-N 0 0 307.340 3.056 20 10 DGCDRN Cc1ccc([C@@H](O)[C@@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])cc1 ZINC000877516911 623919230 /nfs/dbraw/zinc/91/92/30/623919230.db2.gz GJBFUOAPZMRJOU-BZNIZROVSA-N 0 0 307.340 3.191 20 10 DGCDRN O=C(OCCSCc1ccccc1)c1cccc(O)c1O ZINC000790665499 625685829 /nfs/dbraw/zinc/68/58/29/625685829.db2.gz KRWKASGKLZQAGL-UHFFFAOYSA-N 0 0 304.367 3.188 20 10 DGCDRN Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877532688 623928748 /nfs/dbraw/zinc/92/87/48/623928748.db2.gz WQBSHHJPTAZRIU-CYBMUJFWSA-N 0 0 307.344 3.347 20 10 DGCDRN CCS(=O)(=O)Cc1ccc(NCc2c(C)cccc2O)cc1 ZINC000877577399 623950649 /nfs/dbraw/zinc/95/06/49/623950649.db2.gz WYAIUPIRGVXQPI-UHFFFAOYSA-N 0 0 319.426 3.247 20 10 DGCDRN C[C@H](NCc1cc(-c2ccccc2)ccc1O)c1ncn(C)n1 ZINC000780562661 623952513 /nfs/dbraw/zinc/95/25/13/623952513.db2.gz HUMODIUIBSHCHA-ZDUSSCGKSA-N 0 0 308.385 3.039 20 10 DGCDRN CC(C)[C@@H]1[N@H+](Cc2ccc(F)c(F)c2[O-])CC12CCOCC2 ZINC000877591309 623954946 /nfs/dbraw/zinc/95/49/46/623954946.db2.gz SINXOAAVZQUFAJ-INIZCTEOSA-N 0 0 311.372 3.307 20 10 DGCDRN CCc1ccncc1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877613656 623963287 /nfs/dbraw/zinc/96/32/87/623963287.db2.gz ORJPBRCXJHSZNM-UHFFFAOYSA-N 0 0 311.429 3.217 20 10 DGCDRN Cc1ccc(CN[C@H](C[C@H]2CCCO2)C(F)(F)F)c(O)c1 ZINC000877618991 623964845 /nfs/dbraw/zinc/96/48/45/623964845.db2.gz LDMGNVNAUQXNHP-TZMCWYRMSA-N 0 0 303.324 3.290 20 10 DGCDRN [O-]c1c(C[NH2+][C@H]2CCN(C3CCCCC3)C2)ccc(F)c1F ZINC000877631541 623970388 /nfs/dbraw/zinc/97/03/88/623970388.db2.gz VOYAXVWXPXUHIC-ZDUSSCGKSA-N 0 0 310.388 3.167 20 10 DGCDRN [O-]c1c(C[N@H+]2CC[C@@H](O)C[C@H]2c2ccccc2)ccc(F)c1F ZINC000877673743 623986633 /nfs/dbraw/zinc/98/66/33/623986633.db2.gz QXVFGPQPHOLZKE-ZBFHGGJFSA-N 0 0 319.351 3.368 20 10 DGCDRN c1c[nH]c(CNCc2ccc3c(c2)CCN3Cc2ccccc2)n1 ZINC000877672771 623987291 /nfs/dbraw/zinc/98/72/91/623987291.db2.gz MTXHJCRBSNTRQR-UHFFFAOYSA-N 0 0 318.424 3.262 20 10 DGCDRN CN(Cc1nccn1C)Cc1cc(-c2ccccc2)ccc1O ZINC000780893521 623995515 /nfs/dbraw/zinc/99/55/15/623995515.db2.gz XRQUFLHLGRPPND-UHFFFAOYSA-N 0 0 307.397 3.425 20 10 DGCDRN Cc1ccc2c(CCNC(=O)c3ccc(C)c(O)c3O)c[nH]c2c1 ZINC000780916973 623997844 /nfs/dbraw/zinc/99/78/44/623997844.db2.gz NSJRIMOFTLFROD-UHFFFAOYSA-N 0 0 324.380 3.168 20 10 DGCDRN CCOc1ccc([N+](=O)[O-])cc1CN1Cc2cccc(O)c2C1 ZINC000877703995 623998842 /nfs/dbraw/zinc/99/88/42/623998842.db2.gz VISRQTIITCSAPO-UHFFFAOYSA-N 0 0 314.341 3.215 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)c(O)c1O ZINC000780953730 624002631 /nfs/dbraw/zinc/00/26/31/624002631.db2.gz IJUXTQTUILVODG-LBPRGKRZSA-N 0 0 305.296 3.113 20 10 DGCDRN COc1ccc(-n2c(C)cc(C(=O)N3CC(F)(F)C3)c2C)cc1 ZINC000781063552 624016255 /nfs/dbraw/zinc/01/62/55/624016255.db2.gz NXKCTMFBBNKVPR-UHFFFAOYSA-N 0 0 320.339 3.194 20 10 DGCDRN C[N@@H+]1CC[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])CC[C@@H]21 ZINC000877744638 624016852 /nfs/dbraw/zinc/01/68/52/624016852.db2.gz WFCGXPSRSSYFAC-YGRLFVJLSA-N 0 0 315.244 3.225 20 10 DGCDRN O=C1/C(=C/c2cncnc2)SC(=S)N1c1ccc(F)cc1 ZINC000781106420 624023622 /nfs/dbraw/zinc/02/36/22/624023622.db2.gz LLSCMQFFHPFZPY-XGICHPGQSA-N 0 0 317.370 3.022 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC[C@H](O)C1CCCC1 ZINC000877778659 624033454 /nfs/dbraw/zinc/03/34/54/624033454.db2.gz QCACLSHIAVLRHO-AWEZNQCLSA-N 0 0 301.789 3.216 20 10 DGCDRN CC(C)(O)[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000877795851 624037198 /nfs/dbraw/zinc/03/71/98/624037198.db2.gz XVJYBFLGVGQZOQ-NSHDSACASA-N 0 0 301.789 3.168 20 10 DGCDRN COc1ccc(O)c(CNCc2noc3c2CC(C)(C)CC3)c1 ZINC000877809315 624041054 /nfs/dbraw/zinc/04/10/54/624041054.db2.gz ABNBBQHAOOSYHN-UHFFFAOYSA-N 0 0 316.401 3.194 20 10 DGCDRN COC(=O)c1ccc(F)c(CN(C)c2ccc(OC)c(F)c2)c1 ZINC000781336289 624056498 /nfs/dbraw/zinc/05/64/98/624056498.db2.gz SEGHGFBSNXKWNA-UHFFFAOYSA-N 0 0 321.323 3.396 20 10 DGCDRN O=C1N[C@H](c2cc(Cl)c(F)cc2O)Nc2cc(F)ccc21 ZINC000877849222 624068154 /nfs/dbraw/zinc/06/81/54/624068154.db2.gz SAPUFVVBGINOGS-CYBMUJFWSA-N 0 0 310.687 3.178 20 10 DGCDRN CN(C)c1ccc([C@@H]2NC(C)(C)C(=O)N2CC(C)(C)C)cc1 ZINC000877857720 624071407 /nfs/dbraw/zinc/07/14/07/624071407.db2.gz YOONNRLOQHXAAH-OAHLLOKOSA-N 0 0 303.450 3.008 20 10 DGCDRN Cc1cc(O)c([C@@H]2NC(=O)c3cc(F)c(F)cc3N2)cc1C ZINC000877858317 624071580 /nfs/dbraw/zinc/07/15/80/624071580.db2.gz JBWPASZUAGZRQD-HNNXBMFYSA-N 0 0 304.296 3.141 20 10 DGCDRN Cc1ccc2c(c1)C(=O)N[C@H](c1cc(Cl)c(F)cc1O)N2 ZINC000877862064 624073166 /nfs/dbraw/zinc/07/31/66/624073166.db2.gz GGXCVOWMNFLACP-CQSZACIVSA-N 0 0 306.724 3.347 20 10 DGCDRN COc1ccc(N2CCN(C(=O)[C@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000129586818 625696795 /nfs/dbraw/zinc/69/67/95/625696795.db2.gz PLPZOURDMXRLLM-HOTGVXAUSA-N 0 0 316.445 3.170 20 10 DGCDRN Cc1cc(CNCc2cc(C)cc(Br)c2O)no1 ZINC000781629087 624109956 /nfs/dbraw/zinc/10/99/56/624109956.db2.gz UCCKZIYDTBGYEI-UHFFFAOYSA-N 0 0 311.179 3.049 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)CC[C@@H]2CC(C)(C)CO2)cc1 ZINC000877975547 624119804 /nfs/dbraw/zinc/11/98/04/624119804.db2.gz KKPMZWXFWPDQSU-QGZVFWFLSA-N 0 0 318.461 3.306 20 10 DGCDRN COc1ccc(O)c([C@@H](C)Nc2nc(C)cc(C)c2[N+](=O)[O-])c1 ZINC000781662820 624119988 /nfs/dbraw/zinc/11/99/88/624119988.db2.gz XECLBNDSQTYRGU-LLVKDONJSA-N 0 0 317.345 3.494 20 10 DGCDRN CN(CCC1OCCO1)c1ccc(OCc2ccccc2)cc1 ZINC000781961670 624180118 /nfs/dbraw/zinc/18/01/18/624180118.db2.gz XCSSPMNYMCNGHB-UHFFFAOYSA-N 0 0 313.397 3.465 20 10 DGCDRN COc1cc(N(C)CCCOC(F)(F)F)cc(OC)c1OC ZINC000878128707 624180991 /nfs/dbraw/zinc/18/09/91/624180991.db2.gz GOMYGROITIJHSF-UHFFFAOYSA-N 0 0 323.311 3.075 20 10 DGCDRN CCCN(Cc1nccn1CC(F)F)Cc1ccccc1O ZINC000878152215 624190677 /nfs/dbraw/zinc/19/06/77/624190677.db2.gz WKNKMDVIMMLVHH-UHFFFAOYSA-N 0 0 309.360 3.266 20 10 DGCDRN CCOC(=O)c1ncc(CN(CC)c2ccc(OC)cc2)s1 ZINC000878218916 624219292 /nfs/dbraw/zinc/21/92/92/624219292.db2.gz CSTQKGWIOLRJTH-UHFFFAOYSA-N 0 0 320.414 3.355 20 10 DGCDRN Cc1cccc(C(=O)NCCCSc2nccs2)c1O ZINC000127061523 624253418 /nfs/dbraw/zinc/25/34/18/624253418.db2.gz RPFQMVRLDCGPJA-UHFFFAOYSA-N 0 0 308.428 3.069 20 10 DGCDRN C[C@@H](NC(=O)N1C[C@@H](C)O[C@H](C)[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000782623514 624268115 /nfs/dbraw/zinc/26/81/15/624268115.db2.gz YKFUZKZFYZCFGS-APIJFGDWSA-N 0 0 319.449 3.021 20 10 DGCDRN CC(C)C(C)(C)CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000782636683 624269854 /nfs/dbraw/zinc/26/98/54/624269854.db2.gz HFDUTMZDAWCRAK-UHFFFAOYSA-N 0 0 309.429 3.373 20 10 DGCDRN C[C@H](NC(=O)Nc1cnc(C(C)(C)C)nc1)c1ccccc1O ZINC000878472617 624285396 /nfs/dbraw/zinc/28/53/96/624285396.db2.gz RYOZFEXHCDLEAD-NSHDSACASA-N 0 0 314.389 3.362 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CC[C@@H]2CC(C)(C)CO2)cc1F ZINC000878532882 624300284 /nfs/dbraw/zinc/30/02/84/624300284.db2.gz ZKFJNHUMKHFBRG-CQSZACIVSA-N 0 0 322.424 3.103 20 10 DGCDRN C[C@H]1CCCC[C@H]1CC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783199652 624322893 /nfs/dbraw/zinc/32/28/93/624322893.db2.gz PRJRDRGFMIYWSO-RYUDHWBXSA-N 0 0 306.358 3.040 20 10 DGCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc(F)c(OC)c2)c1 ZINC000783306326 624336759 /nfs/dbraw/zinc/33/67/59/624336759.db2.gz HBHTXZXTUJGRMA-SNVBAGLBSA-N 0 0 319.332 3.500 20 10 DGCDRN CS(=O)(=O)c1cccc(NCc2c(O)cccc2Cl)c1 ZINC000127303637 624348912 /nfs/dbraw/zinc/34/89/12/624348912.db2.gz XDNOLUFQYWXFPH-UHFFFAOYSA-N 0 0 311.790 3.061 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)CC[C@@H]2CC(C)(C)CO2)c1 ZINC000878730596 624350075 /nfs/dbraw/zinc/35/00/75/624350075.db2.gz MOAFIKVQUZASHV-GXTWGEPZSA-N 0 0 321.417 3.173 20 10 DGCDRN CC[C@@H](C)n1ncc(NC(=O)c2cccc(O)c2O)c1C1CC1 ZINC000790907574 625714970 /nfs/dbraw/zinc/71/49/70/625714970.db2.gz ITETURHDLDDXPH-SNVBAGLBSA-N 0 0 315.373 3.395 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ncsc1C1CC1 ZINC000878863717 624374537 /nfs/dbraw/zinc/37/45/37/624374537.db2.gz CJSUGYKOMBHLOY-UHFFFAOYSA-N 0 0 315.442 3.325 20 10 DGCDRN CCOc1cccc2[nH]cc(CC(=O)NCc3ccccc3O)c21 ZINC000783676232 624382568 /nfs/dbraw/zinc/38/25/68/624382568.db2.gz GNDSRHFGWXLIQE-UHFFFAOYSA-N 0 0 324.380 3.131 20 10 DGCDRN CCc1cnc(/C=C2/SC(N3CCCCC3)=NC2=O)s1 ZINC000783700733 624384730 /nfs/dbraw/zinc/38/47/30/624384730.db2.gz VVKJTKMPOQGGAD-DHZHZOJOSA-N 0 0 307.444 3.162 20 10 DGCDRN CC(C)C[C@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)N(C)C ZINC000790949648 625721113 /nfs/dbraw/zinc/72/11/13/625721113.db2.gz GSQSWGOELBIGTC-LLVKDONJSA-N 0 0 302.821 3.251 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCCC2(CCCC2)C1 ZINC000783845547 624400016 /nfs/dbraw/zinc/40/00/16/624400016.db2.gz HWMJFDLAILFRLP-ALCCZGGFSA-N 0 0 301.386 3.294 20 10 DGCDRN Cc1nc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cs1 ZINC000879017507 624409296 /nfs/dbraw/zinc/40/92/96/624409296.db2.gz CVKFMRYJEGUYPQ-UHFFFAOYSA-N 0 0 314.414 3.149 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C=C\c1cnccc1C)C[C@H](C)O2 ZINC000784049834 624428347 /nfs/dbraw/zinc/42/83/47/624428347.db2.gz RNSWJEIXZCIEGW-ZBKLQPJUSA-N 0 0 324.380 3.226 20 10 DGCDRN COC(=O)c1ccccc1CN(C)c1ccc(OC)cc1OC ZINC000784205295 624454451 /nfs/dbraw/zinc/45/44/51/624454451.db2.gz QZIIONROGXFLLZ-UHFFFAOYSA-N 0 0 315.369 3.127 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@]2(C)CCO[C@H]2C)cc1 ZINC000784243209 624461594 /nfs/dbraw/zinc/46/15/94/624461594.db2.gz WACDAYVWMDUHJY-HNAYVOBHSA-N 0 0 312.413 3.391 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C/c1cccc(F)c1F ZINC000209916714 624468501 /nfs/dbraw/zinc/46/85/01/624468501.db2.gz ICCSBFQUMXTJFV-FMIVXFBMSA-N 0 0 308.353 3.421 20 10 DGCDRN Cn1c(-c2ccccc2)cnc1SC[C@@H]1COC(C)(C)O1 ZINC000785029366 624618120 /nfs/dbraw/zinc/61/81/20/624618120.db2.gz MKTIXYFBBRWWEQ-ZDUSSCGKSA-N 0 0 304.415 3.331 20 10 DGCDRN C[C@@H](N[C@@H](C)c1nnnn1C1CCCCC1)c1ccccc1O ZINC000879648807 624623078 /nfs/dbraw/zinc/62/30/78/624623078.db2.gz ALHNYWBWHKSHDM-OLZOCXBDSA-N 0 0 315.421 3.296 20 10 DGCDRN COc1ccc(N(C)C[C@H](C)NC(=O)OC(C)(C)C)cc1F ZINC000785465073 624671161 /nfs/dbraw/zinc/67/11/61/624671161.db2.gz APWVTRKLGFDPFQ-NSHDSACASA-N 0 0 312.385 3.184 20 10 DGCDRN CCOC1CC([N@H+](C)Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000805820570 624958565 /nfs/dbraw/zinc/95/85/65/624958565.db2.gz QWAVFXHPOVIWLW-UHFFFAOYSA-N 0 0 311.809 3.248 20 10 DGCDRN CO[C@@H](CC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C(F)(F)F ZINC000786955399 624967471 /nfs/dbraw/zinc/96/74/71/624967471.db2.gz ZJXSQHWRXHFKSZ-HQJQHLMTSA-N 0 0 313.266 3.288 20 10 DGCDRN COc1cncc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000880551535 624976539 /nfs/dbraw/zinc/97/65/39/624976539.db2.gz GTKLRJHNIUMGAG-GFCCVEGCSA-N 0 0 314.389 3.039 20 10 DGCDRN CC(C)(O)CCC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000787423547 625008601 /nfs/dbraw/zinc/00/86/01/625008601.db2.gz DLSNGAQIJBUYGU-UHFFFAOYSA-N 0 0 317.385 3.065 20 10 DGCDRN COc1cc(C)cc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1C ZINC000787662929 625031078 /nfs/dbraw/zinc/03/10/78/625031078.db2.gz ZYIQGTALEQXSNS-FNORWQNLSA-N 0 0 313.353 3.375 20 10 DGCDRN Cc1cc(C(=O)NCCc2cnoc2)c(C)n1-c1cccc(C)c1 ZINC000880796309 625058162 /nfs/dbraw/zinc/05/81/62/625058162.db2.gz AXRRTRXDYQGNNV-UHFFFAOYSA-N 0 0 323.396 3.363 20 10 DGCDRN Cc1cc(C)c2c(N)c(C(=O)OCc3ccncc3)sc2n1 ZINC000787989649 625084048 /nfs/dbraw/zinc/08/40/48/625084048.db2.gz XTTCZXYVIMHDNP-UHFFFAOYSA-N 0 0 313.382 3.247 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000788593221 625221982 /nfs/dbraw/zinc/22/19/82/625221982.db2.gz GXPKGCVVBJZZEY-GHMZBOCLSA-N 0 0 314.351 3.298 20 10 DGCDRN CC(C)[C@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)N1CCCC1 ZINC000790950210 625720690 /nfs/dbraw/zinc/72/06/90/625720690.db2.gz MWPZGATVSVHHII-AWEZNQCLSA-N 0 0 314.832 3.395 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCN1CCCCCC1 ZINC000790950096 625720720 /nfs/dbraw/zinc/72/07/20/625720720.db2.gz VADCENCOINQRAH-UHFFFAOYSA-N 0 0 300.805 3.150 20 10 DGCDRN CNC(=O)Cc1ccc(NCc2c(O)ccc(Cl)c2F)cc1 ZINC000790953086 625722165 /nfs/dbraw/zinc/72/21/65/625722165.db2.gz PXNMQOCYJISRMR-UHFFFAOYSA-N 0 0 322.767 3.085 20 10 DGCDRN CC(=O)NCc1ccc(NCc2c(O)ccc(Cl)c2F)cc1 ZINC000790982273 625729558 /nfs/dbraw/zinc/72/95/58/625729558.db2.gz SNJSOTSNBOEFMB-UHFFFAOYSA-N 0 0 322.767 3.433 20 10 DGCDRN CCN1C(=O)c2ccccc2N[C@H]1c1ccc2c(c1)CCN2C ZINC000130182089 625823568 /nfs/dbraw/zinc/82/35/68/625823568.db2.gz DOPWGSBAMHEXJG-GOSISDBHSA-N 0 0 307.397 3.265 20 10 DGCDRN Cc1cc(CC(=O)OC[C@@H](C)O)c(C)n1-c1ccc(Cl)cc1 ZINC000791626601 625836559 /nfs/dbraw/zinc/83/65/59/625836559.db2.gz IPAIOOFAZXMRNZ-GFCCVEGCSA-N 0 0 321.804 3.214 20 10 DGCDRN Oc1c(F)cc(F)cc1CNc1ccc(O[C@H]2CCOC2)cc1 ZINC000883016450 625897285 /nfs/dbraw/zinc/89/72/85/625897285.db2.gz ZMSKBHGPQCFLEP-HNNXBMFYSA-N 0 0 321.323 3.450 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)N3CC(C)(F)C3)cc2)CC1 ZINC000792078235 625908035 /nfs/dbraw/zinc/90/80/35/625908035.db2.gz YDNMCBNZCVBQIG-UHFFFAOYSA-N 0 0 319.424 3.176 20 10 DGCDRN CC[C@H](CCO)CNC(=O)c1sccc1-n1c(C)ccc1C ZINC000130847543 625911959 /nfs/dbraw/zinc/91/19/59/625911959.db2.gz NUUIVXMPAOXTPG-CQSZACIVSA-N 0 0 320.458 3.294 20 10 DGCDRN CC(C)(O)COc1ccc(NCc2cc(F)cc(F)c2O)cc1 ZINC000883067110 625914341 /nfs/dbraw/zinc/91/43/41/625914341.db2.gz UWUVPEJQGARFDJ-UHFFFAOYSA-N 0 0 323.339 3.432 20 10 DGCDRN CC[N@@H+]1CC[C@@H](N(C)Cc2c([O-])ccc(Cl)c2F)C[C@H]1C ZINC000792164633 625917700 /nfs/dbraw/zinc/91/77/00/625917700.db2.gz AVSOHJBHSCFREJ-VXGBXAGGSA-N 0 0 314.832 3.489 20 10 DGCDRN C[C@@H](C[C@H](O)c1ccccc1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883079491 625919510 /nfs/dbraw/zinc/91/95/10/625919510.db2.gz VTHGHLNFPXBRJP-ZBEGNZNMSA-N 0 0 307.340 3.272 20 10 DGCDRN CC[C@@]1(CO)CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792179718 625920355 /nfs/dbraw/zinc/92/03/55/625920355.db2.gz LMGYXDMHDZYDCV-OAHLLOKOSA-N 0 0 301.789 3.169 20 10 DGCDRN C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@@H](C)S1=O ZINC000792192354 625922181 /nfs/dbraw/zinc/92/21/81/625922181.db2.gz NCCOALCTKZPMIG-HZPDHXFCSA-N 0 0 320.502 3.018 20 10 DGCDRN CC(C)(O)c1ccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC000883091118 625924411 /nfs/dbraw/zinc/92/44/11/625924411.db2.gz DOXSMLQJGWJFNS-UHFFFAOYSA-N 0 0 307.340 3.188 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C1CCC(OC(F)F)CC1 ZINC000883138886 625940694 /nfs/dbraw/zinc/94/06/94/625940694.db2.gz SFMKRMHMSCFNCB-UHFFFAOYSA-N 0 0 307.287 3.310 20 10 DGCDRN CSc1ccccc1CN(C)C(=O)c1cccc(O)c1O ZINC000792541705 625954647 /nfs/dbraw/zinc/95/46/47/625954647.db2.gz BGIYFBFHZIAVNL-UHFFFAOYSA-N 0 0 303.383 3.092 20 10 DGCDRN COCc1cc(NCc2cc(F)cc(F)c2O)ccc1OC ZINC000883197694 625967579 /nfs/dbraw/zinc/96/75/79/625967579.db2.gz QYJKZQKQKICDQU-UHFFFAOYSA-N 0 0 309.312 3.438 20 10 DGCDRN CC(C)(C)OCCCC(=O)NCCCSc1nccs1 ZINC000796411704 626047962 /nfs/dbraw/zinc/04/79/62/626047962.db2.gz BJCUTOROPKIXBG-UHFFFAOYSA-N 0 0 316.492 3.337 20 10 DGCDRN CSc1cccc(F)c1C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000796447774 626050965 /nfs/dbraw/zinc/05/09/65/626050965.db2.gz GEQSAZDKCWTCHV-UHFFFAOYSA-N 0 0 322.361 3.451 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CSC[C@@H]2C)c1 ZINC000796480963 626054916 /nfs/dbraw/zinc/05/49/16/626054916.db2.gz BOKJBRDRMRXJNF-JOYOIKCWSA-N 0 0 316.264 3.304 20 10 DGCDRN COc1ccc(N(CCC(C)C)CC(=O)N2CCCC2)cc1 ZINC000796502908 626056572 /nfs/dbraw/zinc/05/65/72/626056572.db2.gz GDDVSWRTDXCTKX-UHFFFAOYSA-N 0 0 304.434 3.170 20 10 DGCDRN CCc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000797020624 626104953 /nfs/dbraw/zinc/10/49/53/626104953.db2.gz WEKIMLZBYKITKQ-SGTLLEGYSA-N 0 0 303.377 3.478 20 10 DGCDRN CC[C@@H]([NH2+][C@@H]1COC[C@@H]1OC)c1cc(Cl)cc(Cl)c1[O-] ZINC000840826416 626110195 /nfs/dbraw/zinc/11/01/95/626110195.db2.gz KXYQHRPYXWXZCJ-UPJWGTAASA-N 0 0 320.216 3.154 20 10 DGCDRN CC1=C[C@H](C)CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000797463240 626144847 /nfs/dbraw/zinc/14/48/47/626144847.db2.gz IMBNJBXSDOWUCS-HNNXBMFYSA-N 0 0 311.429 3.170 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCC(F)(F)C2)c1 ZINC000797586975 626155836 /nfs/dbraw/zinc/15/58/36/626155836.db2.gz OJFJRTZIXDJXBI-MNOVXSKESA-N 0 0 313.344 3.265 20 10 DGCDRN CCOc1ccccc1NC(=O)NCc1ccc(OC)cc1O ZINC000797607725 626159593 /nfs/dbraw/zinc/15/95/93/626159593.db2.gz OFJHVUDVUKMHSJ-UHFFFAOYSA-N 0 0 316.357 3.121 20 10 DGCDRN CC(C)n1ccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000797680461 626163573 /nfs/dbraw/zinc/16/35/73/626163573.db2.gz IVGJZFJXRCDDOD-ZDUSSCGKSA-N 0 0 315.421 3.413 20 10 DGCDRN CC(C)[C@@H](C(=O)NCc1ccc(N(C)C)cc1)c1cccnc1 ZINC000797798095 626169923 /nfs/dbraw/zinc/16/99/23/626169923.db2.gz PPIFQMVUYHQSMJ-GOSISDBHSA-N 0 0 311.429 3.204 20 10 DGCDRN CN(c1ccc(CNC(=O)NCCF)cc1)C1CCCCC1 ZINC000798058475 626191418 /nfs/dbraw/zinc/19/14/18/626191418.db2.gz HROPFZLRUDJKAP-UHFFFAOYSA-N 0 0 307.413 3.224 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000798082936 626193023 /nfs/dbraw/zinc/19/30/23/626193023.db2.gz HJACBTWDRPIBOZ-LSDHHAIUSA-N 0 0 316.788 3.401 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1c[nH]c2cccnc12 ZINC000798172347 626199477 /nfs/dbraw/zinc/19/94/77/626199477.db2.gz PMMMTSKYQPCHEZ-UHFFFAOYSA-N 0 0 321.380 3.077 20 10 DGCDRN Cc1c(C(=O)NCc2ccc(N3CCCCC3)cc2)ccn1C ZINC000798935031 626261262 /nfs/dbraw/zinc/26/12/62/626261262.db2.gz JVFSCKTWQPWDRW-UHFFFAOYSA-N 0 0 311.429 3.254 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N(C)[C@H]1CCOC1 ZINC000798959421 626263177 /nfs/dbraw/zinc/26/31/77/626263177.db2.gz HZJJATWYNCZQOG-INIZCTEOSA-N 0 0 312.413 3.263 20 10 DGCDRN CCCc1occc1C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000798980032 626264871 /nfs/dbraw/zinc/26/48/71/626264871.db2.gz BILWFHQCAVUEOD-LLVKDONJSA-N 0 0 303.358 3.437 20 10 DGCDRN Cc1cc(C(=O)Nc2cncc(F)c2)c(C)n1-c1ccccn1 ZINC000799011771 626265349 /nfs/dbraw/zinc/26/53/49/626265349.db2.gz BBIVPDZCLBIRGX-UHFFFAOYSA-N 0 0 310.332 3.276 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H]2C[C@@H](c3ccccc3C)C2)c(O)c1O ZINC000799035727 626266340 /nfs/dbraw/zinc/26/63/40/626266340.db2.gz JVKPMTIQPXVDEG-HDJSIYSDSA-N 0 0 311.381 3.391 20 10 DGCDRN CCCC[C@@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000799858028 626331422 /nfs/dbraw/zinc/33/14/22/626331422.db2.gz YYCVNMNXWPABGC-OAHLLOKOSA-N 0 0 304.434 3.170 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)COc1ccsc1 ZINC000800466694 626362769 /nfs/dbraw/zinc/36/27/69/626362769.db2.gz FJXGFPLVKUGYGJ-UHFFFAOYSA-N 0 0 318.442 3.242 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CC=CCC1 ZINC000839914131 626369570 /nfs/dbraw/zinc/36/95/70/626369570.db2.gz QUTISUHVBWZUNB-HOTGVXAUSA-N 0 0 300.446 3.465 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cc(Cl)c[nH]1 ZINC000839916214 626370584 /nfs/dbraw/zinc/37/05/84/626370584.db2.gz PXORTKKXXLATEV-LBPRGKRZSA-N 0 0 319.836 3.404 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1(F)CCCC1 ZINC000839918666 626372118 /nfs/dbraw/zinc/37/21/18/626372118.db2.gz CBYVXMFKXABRHV-AWEZNQCLSA-N 0 0 306.425 3.391 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccncc1C ZINC000839918818 626372536 /nfs/dbraw/zinc/37/25/36/626372536.db2.gz DAFGKOSMBCMOPK-HNNXBMFYSA-N 0 0 311.429 3.125 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000839920467 626373249 /nfs/dbraw/zinc/37/32/49/626373249.db2.gz PSEJPQXOXMDTAH-ZSGPHXLJSA-N 0 0 300.446 3.154 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1CCCSC1 ZINC000839922667 626379839 /nfs/dbraw/zinc/37/98/39/626379839.db2.gz XWAQRHMYFGTLMM-ZBFHGGJFSA-N 0 0 320.502 3.251 20 10 DGCDRN CCC(CC)(CCO)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000802298155 626558149 /nfs/dbraw/zinc/55/81/49/626558149.db2.gz KSWLLSDUAMADEI-CQSZACIVSA-N 0 0 321.465 3.054 20 10 DGCDRN COC(=O)Nc1ccc(NCc2cc(F)ccc2O)cc1F ZINC000802647814 626564664 /nfs/dbraw/zinc/56/46/64/626564664.db2.gz KXKHWCSBMFYFND-UHFFFAOYSA-N 0 0 308.284 3.461 20 10 DGCDRN Fc1ccc2c(c1)CCN2Cc1ccc(N2CCOCC2)cc1 ZINC000802657593 626565134 /nfs/dbraw/zinc/56/51/34/626565134.db2.gz JVUHOUPEVGKJQK-UHFFFAOYSA-N 0 0 312.388 3.225 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2c(F)cc(F)cc2F)cc1 ZINC000131587854 626656581 /nfs/dbraw/zinc/65/65/81/626656581.db2.gz MSDYXKQZXHMTIF-UHFFFAOYSA-N 0 0 308.303 3.100 20 10 DGCDRN CCCN1C(=O)N(c2cc(Cl)c(N)c(Cl)c2)C(=O)[C@H]1C ZINC000804211829 626661552 /nfs/dbraw/zinc/66/15/52/626661552.db2.gz YRIPEMRREOAITP-SSDOTTSWSA-N 0 0 316.188 3.143 20 10 DGCDRN COc1ccc(N(C)Cc2nnc(C(C)(C)C)o2)c(OC)c1 ZINC000131675064 626666487 /nfs/dbraw/zinc/66/64/87/626666487.db2.gz WASDBVIRQDWYMY-UHFFFAOYSA-N 0 0 305.378 3.021 20 10 DGCDRN O=C(NCCCSc1nccs1)N1CCC[C@@H](CF)C1 ZINC000883517219 626696368 /nfs/dbraw/zinc/69/63/68/626696368.db2.gz RFHNIPNHFOHILK-NSHDSACASA-N 0 0 317.455 3.016 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H](O)COCC(C)C)c1cccc(Cl)c1[O-] ZINC000806133457 626701072 /nfs/dbraw/zinc/70/10/72/626701072.db2.gz NOLQMTUPXGJXKK-DOMZBBRYSA-N 0 0 315.841 3.120 20 10 DGCDRN CC[C@H]([NH2+][C@H](C)COCCOC)c1cccc(Cl)c1[O-] ZINC000806147963 626702234 /nfs/dbraw/zinc/70/22/34/626702234.db2.gz PBCKNCDBMREDMW-RISCZKNCSA-N 0 0 301.814 3.138 20 10 DGCDRN C[C@@H](NC(=O)N1CCC[C@@H](CF)C1)c1ccc(N(C)C)cc1 ZINC000883582034 626709365 /nfs/dbraw/zinc/70/93/65/626709365.db2.gz LFRFGZRPPAWBCW-KGLIPLIRSA-N 0 0 307.413 3.205 20 10 DGCDRN CC(C)[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000132260117 626710919 /nfs/dbraw/zinc/71/09/19/626710919.db2.gz OVPBAXUSCNGAPV-UHFFFAOYSA-N 0 0 303.233 3.225 20 10 DGCDRN C[C@H](NC(=O)Nc1cc2ccccn2n1)c1ccc(N(C)C)cc1 ZINC000806650048 626729462 /nfs/dbraw/zinc/72/94/62/626729462.db2.gz QKPATNMVPQDNNP-ZDUSSCGKSA-N 0 0 323.400 3.283 20 10 DGCDRN COc1cnc(NCc2cc(C)ccc2O)c(Br)c1 ZINC000806671392 626730086 /nfs/dbraw/zinc/73/00/86/626730086.db2.gz WZWWDTKUMSTQKC-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1cccc(F)c1Cl ZINC000806770312 626733399 /nfs/dbraw/zinc/73/33/99/626733399.db2.gz YMQXTQJVJUAZCG-UHFFFAOYSA-N 0 0 324.739 3.255 20 10 DGCDRN CCc1nnc(CN(C)Cc2ccc(N(CC)CC)cc2)o1 ZINC000807272511 626752729 /nfs/dbraw/zinc/75/27/29/626752729.db2.gz JBLVTGKOJDDCFL-UHFFFAOYSA-N 0 0 302.422 3.110 20 10 DGCDRN C[C@@]12CCN(C(=O)C3=CC(=O)CS3)C[C@@H]1C2(Cl)Cl ZINC000807524411 626759502 /nfs/dbraw/zinc/75/95/02/626759502.db2.gz TWJSBOUYGUHCHF-GXSJLCMTSA-N 0 0 306.214 3.110 20 10 DGCDRN COc1ccc([C@H](C)NC(=O)C2=CC(=O)CS2)c(C)c1OC ZINC000807859187 626773115 /nfs/dbraw/zinc/77/31/15/626773115.db2.gz ZJLZGNJYRJOOTN-JTQLQIEISA-N 0 0 321.398 3.270 20 10 DGCDRN Cc1cc(C(=O)Nc2cn[nH]n2)c(C)n1-c1ccc(Cl)cc1 ZINC000807923935 626778070 /nfs/dbraw/zinc/77/80/70/626778070.db2.gz YSOZIUGNXMNPLJ-UHFFFAOYSA-N 0 0 315.764 3.118 20 10 DGCDRN CC(=O)C(=O)CSc1nc(-c2ccco2)nc2ccccc21 ZINC000808017983 626787371 /nfs/dbraw/zinc/78/73/71/626787371.db2.gz GLSALLRVDCHXHQ-UHFFFAOYSA-N 0 0 312.350 3.140 20 10 DGCDRN CC(=O)C(=O)CSc1nnc(-c2cccc3ccccc32)o1 ZINC000808022483 626787940 /nfs/dbraw/zinc/78/79/40/626787940.db2.gz LUXOFLVWGVJJDJ-UHFFFAOYSA-N 0 0 312.350 3.140 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1scnc1C1CC1 ZINC000808096353 626792468 /nfs/dbraw/zinc/79/24/68/626792468.db2.gz HLRRKMLJKGAZHU-UHFFFAOYSA-N 0 0 323.414 3.142 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(F)c1F ZINC000808095478 626792482 /nfs/dbraw/zinc/79/24/82/626792482.db2.gz GSKMLJSRHTXOMA-UHFFFAOYSA-N 0 0 312.312 3.086 20 10 DGCDRN CC(=O)C(=O)COC(=O)c1sc2cccc(C)c2c1Cl ZINC000808500808 626833228 /nfs/dbraw/zinc/83/32/28/626833228.db2.gz YKFRDERTHVTIMQ-UHFFFAOYSA-N 0 0 310.758 3.178 20 10 DGCDRN CC(=O)C(=O)COC(=O)c1sc2cc(C)ccc2c1Cl ZINC000808514663 626834862 /nfs/dbraw/zinc/83/48/62/626834862.db2.gz NYOOIOSZAALRSP-UHFFFAOYSA-N 0 0 310.758 3.178 20 10 DGCDRN CCC(C)(C)C1CCC2(C[C@H]2C(=O)OCC(=O)C(C)=O)CC1 ZINC000808549595 626839588 /nfs/dbraw/zinc/83/95/88/626839588.db2.gz IZNCSTSSNRYFCZ-FVRSWCFKSA-N 0 0 308.418 3.320 20 10 DGCDRN C[C@@H]([NH2+]Cc1cccc(Br)c1[O-])C1CCOCC1 ZINC000134478122 626878007 /nfs/dbraw/zinc/87/80/07/626878007.db2.gz XUUAHLHNQVNITD-SNVBAGLBSA-N 0 0 314.223 3.059 20 10 DGCDRN C[C@@H](CO)[N@@H+](Cc1c([O-])ccc(Cl)c1F)CC1CCC1 ZINC000809665588 626934440 /nfs/dbraw/zinc/93/44/40/626934440.db2.gz WRVGKTLCKDQLMO-JTQLQIEISA-N 0 0 301.789 3.168 20 10 DGCDRN CC[C@@H]1CN(Cc2ccc(N(CC)CC)cc2)C[C@@H](C)[S@]1=O ZINC000809700619 626938488 /nfs/dbraw/zinc/93/84/88/626938488.db2.gz KRHNUBSMTWAHBF-YBOAYWMSSA-N 0 0 322.518 3.264 20 10 DGCDRN CCCN1CCC[C@H]1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000809716290 626940777 /nfs/dbraw/zinc/94/07/77/626940777.db2.gz SOCJKBTYBCPUDV-ZDUSSCGKSA-N 0 0 300.805 3.149 20 10 DGCDRN COC(=O)c1ccc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)cc1 ZINC000809733565 626942954 /nfs/dbraw/zinc/94/29/54/626942954.db2.gz ZGTJKYIIHZQNIH-UHFFFAOYSA-N 0 0 323.751 3.261 20 10 DGCDRN C[C@@H](NC(=O)c1c(F)ccc(O)c1F)c1ccc(N(C)C)cc1 ZINC000809777919 626950855 /nfs/dbraw/zinc/95/08/55/626950855.db2.gz IONCBZAUBQDPJK-SNVBAGLBSA-N 0 0 320.339 3.227 20 10 DGCDRN CN(C)c1ccc(OCCOCCOc2ccccc2)cc1 ZINC000810001585 626967460 /nfs/dbraw/zinc/96/74/60/626967460.db2.gz INPJGHYWSGMFLK-UHFFFAOYSA-N 0 0 301.386 3.227 20 10 DGCDRN CN(C)c1ccc(OCC(=O)N2CCC[C@H]3CCCC[C@@H]32)cc1 ZINC000810002003 626967515 /nfs/dbraw/zinc/96/75/15/626967515.db2.gz PUKJQOFNVNJKOW-QAPCUYQASA-N 0 0 316.445 3.313 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)OC2CCOCC2)C2CC2)cc1 ZINC000810042989 626971532 /nfs/dbraw/zinc/97/15/32/626971532.db2.gz NLPXQKLAUFPMTH-UHFFFAOYSA-N 0 0 318.417 3.033 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccccc2OCC2CC2)cc1 ZINC000216559310 626976726 /nfs/dbraw/zinc/97/67/26/626976726.db2.gz QDLKPPDDVSAXGD-UHFFFAOYSA-N 0 0 324.424 3.471 20 10 DGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCCSC1 ZINC000810247771 626992266 /nfs/dbraw/zinc/99/22/66/626992266.db2.gz WPJSULJGRXEQOC-INIZCTEOSA-N 0 0 318.486 3.436 20 10 DGCDRN CCCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000810262305 626994815 /nfs/dbraw/zinc/99/48/15/626994815.db2.gz OJCSKVUDFYVQDN-NEPJUHHUSA-N 0 0 300.393 3.441 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2ccnc(Cl)c2C)c1 ZINC000810288842 626997266 /nfs/dbraw/zinc/99/72/66/626997266.db2.gz CIBVBZOVIUNROP-UHFFFAOYSA-N 0 0 321.764 3.079 20 10 DGCDRN COc1cccc(CNC(=O)Nc2ccnc(Cl)c2C)c1O ZINC000810291760 626997903 /nfs/dbraw/zinc/99/79/03/626997903.db2.gz BMHZNFDNFREGLG-UHFFFAOYSA-N 0 0 321.764 3.079 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ncsc2C(C)C)c1 ZINC000810348567 627002833 /nfs/dbraw/zinc/00/28/33/627002833.db2.gz XPTOFISPAMLWSK-JTQLQIEISA-N 0 0 320.414 3.472 20 10 DGCDRN COc1cccc(SCC(=O)N(C)Cc2ccccc2O)c1 ZINC000136948481 627104700 /nfs/dbraw/zinc/10/47/00/627104700.db2.gz UKSDOFWQFFJYOX-UHFFFAOYSA-N 0 0 317.410 3.152 20 10 DGCDRN C[C@H]([NH2+]CCN1Cc2ccccc2C1)c1c([O-])cccc1F ZINC000886515472 627155622 /nfs/dbraw/zinc/15/56/22/627155622.db2.gz HWENFRSWIGUMAW-ZDUSSCGKSA-N 0 0 300.377 3.198 20 10 DGCDRN COc1nc(C)cc(C)c1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886522430 627156823 /nfs/dbraw/zinc/15/68/23/627156823.db2.gz JABXLQODTNEFFH-LBPRGKRZSA-N 0 0 304.365 3.403 20 10 DGCDRN COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886522645 627156938 /nfs/dbraw/zinc/15/69/38/627156938.db2.gz NVEOEPXKXWNCGB-SNVBAGLBSA-N 0 0 320.320 3.299 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1c([O-])cccc1F ZINC000886551597 627161934 /nfs/dbraw/zinc/16/19/34/627161934.db2.gz KOQNRYRESHWTLC-SWLSCSKDSA-N 0 0 320.408 3.116 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1c([O-])cccc1F ZINC000886553896 627162443 /nfs/dbraw/zinc/16/24/43/627162443.db2.gz XRDBRDPSOHHGOL-MQIPJXDCSA-N 0 0 311.422 3.237 20 10 DGCDRN C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1c([O-])cccc1F ZINC000886557313 627162931 /nfs/dbraw/zinc/16/29/31/627162931.db2.gz YFJQYEMREVSERG-LLVKDONJSA-N 0 0 304.321 3.333 20 10 DGCDRN Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2c([O-])cccc2F)cc1 ZINC000886596249 627169799 /nfs/dbraw/zinc/16/97/99/627169799.db2.gz ABBIVEPGLHWQPX-DZGCQCFKSA-N 0 0 303.377 3.094 20 10 DGCDRN Cc1cccc(C[C@@H](CO)[NH2+][C@H](C)c2c([O-])cccc2F)c1 ZINC000886596534 627169847 /nfs/dbraw/zinc/16/98/47/627169847.db2.gz HOCDMLQXECUSJM-HIFRSBDPSA-N 0 0 303.377 3.094 20 10 DGCDRN Cc1cc(N[C@@H](C)c2c(O)cccc2F)cc(OCCO)c1 ZINC000886601505 627170975 /nfs/dbraw/zinc/17/09/75/627170975.db2.gz VHVTVVSAVVRDIO-LBPRGKRZSA-N 0 0 305.349 3.384 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)[C@](C)(O)c1ccccc1)c1c([O-])cccc1F ZINC000886631710 627177428 /nfs/dbraw/zinc/17/74/28/627177428.db2.gz UTYMPLHYOQSJHI-LXIYXOSZSA-N 0 0 303.377 3.478 20 10 DGCDRN C[C@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1c([O-])cccc1F ZINC000886635171 627177718 /nfs/dbraw/zinc/17/77/18/627177718.db2.gz XUQZRHOJOCDZCE-QMMMGPOBSA-N 0 0 315.270 3.191 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1)c1c([O-])cccc1F ZINC000886637608 627177870 /nfs/dbraw/zinc/17/78/70/627177870.db2.gz ASAZSCZOWCVIGZ-BJJXKVORSA-N 0 0 317.408 3.327 20 10 DGCDRN C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886640103 627178477 /nfs/dbraw/zinc/17/84/77/627178477.db2.gz RJJGCBZDOOJLRJ-IIYDPXPESA-N 0 0 303.377 3.347 20 10 DGCDRN CCN(C)c1ccc([C@@H](C)N[C@H](CCO)C(F)(F)F)cc1 ZINC000886801213 627206014 /nfs/dbraw/zinc/20/60/14/627206014.db2.gz JTQSAMPCJRLTSB-BXUZGUMPSA-N 0 0 304.356 3.107 20 10 DGCDRN Cc1cc(C(=O)CN(C)CCCF)c(C)n1-c1ccc(F)cn1 ZINC000887142552 627229482 /nfs/dbraw/zinc/22/94/82/627229482.db2.gz PHXRHHZQDGGCAT-UHFFFAOYSA-N 0 0 321.371 3.102 20 10 DGCDRN O=C1/C(=C\c2ccc(Cl)cn2)SC(=S)N1C1CCC1 ZINC000887272115 627239689 /nfs/dbraw/zinc/23/96/89/627239689.db2.gz HHBKZROQFULCNV-IZZDOVSWSA-N 0 0 310.831 3.489 20 10 DGCDRN CCOc1cccc(CN2CCCN2C(=O)OC(C)(C)C)c1O ZINC000811502949 627282932 /nfs/dbraw/zinc/28/29/32/627282932.db2.gz OCAIMKXJOPREDM-UHFFFAOYSA-N 0 0 322.405 3.149 20 10 DGCDRN Oc1ccc(-c2ccccc2)cc1CN1CCn2cncc2C1 ZINC000811515406 627286013 /nfs/dbraw/zinc/28/60/13/627286013.db2.gz SGVYFYJVOAJLLD-UHFFFAOYSA-N 0 0 305.381 3.272 20 10 DGCDRN Cc1ccc(NC(=S)NCc2ncccc2N(C)C)cc1C ZINC000811710045 627309790 /nfs/dbraw/zinc/30/97/90/627309790.db2.gz YJEJABCKXORKTN-UHFFFAOYSA-N 0 0 314.458 3.251 20 10 DGCDRN COc1cc2c(cc1NCc1cnn(C)n1)oc1ccccc12 ZINC000811726947 627312372 /nfs/dbraw/zinc/31/23/72/627312372.db2.gz PUXBGLIOZGBSIB-UHFFFAOYSA-N 0 0 308.341 3.335 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC1(C2CC2)CCC1 ZINC000887767366 627321222 /nfs/dbraw/zinc/32/12/22/627321222.db2.gz JGPQLVYZJKSAGV-UHFFFAOYSA-N 0 0 313.445 3.419 20 10 DGCDRN Nc1ccc(NCc2c(O)ccc3c2CCCC3)c([N+](=O)[O-])c1 ZINC000811808883 627323840 /nfs/dbraw/zinc/32/38/40/627323840.db2.gz SKDBKYHNZICXDX-UHFFFAOYSA-N 0 0 313.357 3.374 20 10 DGCDRN CNc1c(Cl)ncnc1NCc1c(O)ccc2c1CCCC2 ZINC000811808680 627323883 /nfs/dbraw/zinc/32/38/83/627323883.db2.gz OEXRSLBUUPNTRX-UHFFFAOYSA-N 0 0 318.808 3.368 20 10 DGCDRN C[C@H](CNC(=O)NCc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000840245762 627350842 /nfs/dbraw/zinc/35/08/42/627350842.db2.gz YBHQWURLYXYRGJ-NSHDSACASA-N 0 0 317.355 3.140 20 10 DGCDRN COc1ccc(O)c(CNc2cc(C)c([N+](=O)[O-])cc2F)c1 ZINC000812458569 627388657 /nfs/dbraw/zinc/38/86/57/627388657.db2.gz GMDCZWHOUOELBX-UHFFFAOYSA-N 0 0 306.293 3.369 20 10 DGCDRN CCC(=O)Nc1ccccc1C(=O)N(C)Cc1ccccc1O ZINC000812475768 627390088 /nfs/dbraw/zinc/39/00/88/627390088.db2.gz ZVNKERRQBRLFLE-UHFFFAOYSA-N 0 0 312.369 3.013 20 10 DGCDRN CCC1(C)CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000812483054 627391410 /nfs/dbraw/zinc/39/14/10/627391410.db2.gz CKULAPBGNDIHIR-SOFGYWHQSA-N 0 0 304.346 3.017 20 10 DGCDRN CCC[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000812484148 627391501 /nfs/dbraw/zinc/39/15/01/627391501.db2.gz VRIRVMOEXKTSAC-YXJHDRRASA-N 0 0 316.445 3.137 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H](C)[C@H](C)COC)cc1F ZINC000812505517 627393097 /nfs/dbraw/zinc/39/30/97/627393097.db2.gz OVQTUZNTGRMACA-ZIAGYGMSSA-N 0 0 324.440 3.207 20 10 DGCDRN O=[N+]([O-])c1cnc(NCCCSc2nccs2)c(F)c1 ZINC000840261473 627407766 /nfs/dbraw/zinc/40/77/66/627407766.db2.gz SIOWILCKXRFENR-UHFFFAOYSA-N 0 0 314.367 3.180 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1(F)CCCCC1 ZINC000813032551 627442814 /nfs/dbraw/zinc/44/28/14/627442814.db2.gz QQWMKUGNOPUOCM-UHFFFAOYSA-N 0 0 306.381 3.150 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CC[C@H](C3CCC3)C2)cc1F ZINC000840280320 627457254 /nfs/dbraw/zinc/45/72/54/627457254.db2.gz HUJGYQBXRDXDBA-HNNXBMFYSA-N 0 0 319.424 3.223 20 10 DGCDRN Cc1ccc(CNC(=O)N[C@@H](C)c2ccccc2O)c(Cl)n1 ZINC000889764056 627465684 /nfs/dbraw/zinc/46/56/84/627465684.db2.gz PCVNGBUZDSHPTJ-NSHDSACASA-N 0 0 319.792 3.309 20 10 DGCDRN CCN(Cc1cnc(OC)s1)Cc1ccc(N(C)C)cc1 ZINC000813334768 627479466 /nfs/dbraw/zinc/47/94/66/627479466.db2.gz YABZWHQXNPYBBW-UHFFFAOYSA-N 0 0 305.447 3.240 20 10 DGCDRN C[C@@H](NC(=O)C[C@H](O)CC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000813524485 627495901 /nfs/dbraw/zinc/49/59/01/627495901.db2.gz CMXGYZUSZNGPNI-CJNGLKHVSA-N 0 0 306.450 3.117 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NCc2occc2C)cc1 ZINC000813591846 627500618 /nfs/dbraw/zinc/50/06/18/627500618.db2.gz WZEGMJLMMVSIHV-UHFFFAOYSA-N 0 0 315.417 3.434 20 10 DGCDRN COc1cc(N(C)Cc2occc2C)c([N+](=O)[O-])cc1OC ZINC000813633281 627504694 /nfs/dbraw/zinc/50/46/94/627504694.db2.gz WJROYXCAQXEYKW-UHFFFAOYSA-N 0 0 306.318 3.150 20 10 DGCDRN CC[C@@H]([NH2+]C1COCCOC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000813880844 627518373 /nfs/dbraw/zinc/51/83/73/627518373.db2.gz QVQBUKQWUWBVKO-CYBMUJFWSA-N 0 0 320.216 3.155 20 10 DGCDRN CSC[C@H](C)NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840306167 627523917 /nfs/dbraw/zinc/52/39/17/627523917.db2.gz RXAPULXOLJEIIU-KGLIPLIRSA-N 0 0 323.506 3.043 20 10 DGCDRN Cc1cc(C(=O)O[C@H](C)C[N+](=O)[O-])c(C)n1-c1ccc(F)cc1 ZINC000814046183 627535135 /nfs/dbraw/zinc/53/51/35/627535135.db2.gz HCZPTRLDHZTZOF-LLVKDONJSA-N 0 0 320.320 3.055 20 10 DGCDRN CN(C)c1ccc(CN2C[C@@H](CO)Cc3ccccc32)cc1F ZINC000814169678 627545869 /nfs/dbraw/zinc/54/58/69/627545869.db2.gz LGZNWVWLOBVSEJ-HNNXBMFYSA-N 0 0 314.404 3.063 20 10 DGCDRN Cc1ccc(O)c(CN2C[C@@H](C(F)(F)F)OC(C)(C)C2)c1 ZINC000814176393 627546732 /nfs/dbraw/zinc/54/67/32/627546732.db2.gz QHSJXKGLVDFQPI-ZDUSSCGKSA-N 0 0 303.324 3.242 20 10 DGCDRN CCN(CC)c1ccc(CN(C)[C@@H]2CC(C)(C)OC2=O)cc1F ZINC000814180979 627548074 /nfs/dbraw/zinc/54/80/74/627548074.db2.gz UNJQNDWUTSTLBV-MRXNPFEDSA-N 0 0 322.424 3.198 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCc3cccc(O)c32)cc1 ZINC000814259143 627555018 /nfs/dbraw/zinc/55/50/18/627555018.db2.gz AFDOJHCNOGXFNA-QGZVFWFLSA-N 0 0 324.424 3.147 20 10 DGCDRN Cc1cc(O)c(CNc2ccc(F)c(NC(N)=O)c2)cc1C ZINC000814301407 627557942 /nfs/dbraw/zinc/55/79/42/627557942.db2.gz YVMRPLOSPCHDPX-UHFFFAOYSA-N 0 0 303.337 3.251 20 10 DGCDRN COc1cccc(NNC(=S)Nc2ccc(C)c(F)c2)c1 ZINC000007401901 627570204 /nfs/dbraw/zinc/57/02/04/627570204.db2.gz BUZOGHNEQVEMMF-UHFFFAOYSA-N 0 0 305.378 3.456 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000815562152 627685009 /nfs/dbraw/zinc/68/50/09/627685009.db2.gz YNUXXUAMJBPNJY-HZMBPMFUSA-N 0 0 316.367 3.402 20 10 DGCDRN CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815583038 627687965 /nfs/dbraw/zinc/68/79/65/627687965.db2.gz VNHUGXZMNCUXPU-HOTUBEGUSA-N 0 0 323.380 3.174 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2ccc(C(C)C)nc2C)c1 ZINC000815835465 627707006 /nfs/dbraw/zinc/70/70/06/627707006.db2.gz UTNCDDCFQBUTET-UHFFFAOYSA-N 0 0 314.385 3.158 20 10 DGCDRN CO[C@H](COC(=O)c1cc(C)n(-c2ccccn2)c1C)C(C)C ZINC000816355495 627773972 /nfs/dbraw/zinc/77/39/72/627773972.db2.gz JVRGQOMJXQQITC-MRXNPFEDSA-N 0 0 316.401 3.317 20 10 DGCDRN CO[C@@H](COC(=O)c1cc(C)n(-c2ccccn2)c1C)C(C)C ZINC000816355494 627774041 /nfs/dbraw/zinc/77/40/41/627774041.db2.gz JVRGQOMJXQQITC-INIZCTEOSA-N 0 0 316.401 3.317 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[N@H+](CCO)Cc1ccccc1 ZINC000816480098 627795086 /nfs/dbraw/zinc/79/50/86/627795086.db2.gz CUJXHIWKXZEZMN-UHFFFAOYSA-N 0 0 309.768 3.179 20 10 DGCDRN CC(C)[N@@H+]1CCCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816480387 627795506 /nfs/dbraw/zinc/79/55/06/627795506.db2.gz LVSRUOQZVRRJEM-UHFFFAOYSA-N 0 0 300.805 3.101 20 10 DGCDRN OCCCN(Cc1ccc2ccccc2c1O)CC(F)(F)F ZINC000816502491 627798226 /nfs/dbraw/zinc/79/82/26/627798226.db2.gz CWCJTIRRKSKOFB-UHFFFAOYSA-N 0 0 313.319 3.292 20 10 DGCDRN NC(=O)COc1cccc(NCc2ccc3ccccc3c2O)c1 ZINC000816522869 627802389 /nfs/dbraw/zinc/80/23/89/627802389.db2.gz RTTSKFBMBKEQGZ-UHFFFAOYSA-N 0 0 322.364 3.022 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000816528562 627802593 /nfs/dbraw/zinc/80/25/93/627802593.db2.gz IDNZBWREYYIEGA-HNNXBMFYSA-N 0 0 313.731 3.147 20 10 DGCDRN Oc1cc(F)c(Cl)cc1CNc1ccc(-n2ccnn2)cc1 ZINC000816526035 627802652 /nfs/dbraw/zinc/80/26/52/627802652.db2.gz QVYXYQXFENKKLS-UHFFFAOYSA-N 0 0 318.739 3.378 20 10 DGCDRN NC(=O)Nc1cccc(NCc2cc(Cl)c(F)cc2O)c1 ZINC000816525028 627802778 /nfs/dbraw/zinc/80/27/78/627802778.db2.gz BFBHXPYFIKJVNM-UHFFFAOYSA-N 0 0 309.728 3.287 20 10 DGCDRN CC(=O)Nc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816530994 627803261 /nfs/dbraw/zinc/80/32/61/627803261.db2.gz CNXKCVGNXYWRCK-UHFFFAOYSA-N 0 0 322.767 3.433 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H](O)C1CCCCC1 ZINC000816546278 627804759 /nfs/dbraw/zinc/80/47/59/627804759.db2.gz DUUYLRWMAAHFRG-OAHLLOKOSA-N 0 0 301.789 3.216 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNCc1c(F)ccc(O)c1F ZINC000816549839 627805953 /nfs/dbraw/zinc/80/59/53/627805953.db2.gz ZTWZAVJLHCQAHD-UHFFFAOYSA-N 0 0 306.356 3.335 20 10 DGCDRN Cc1ccsc1[C@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816555100 627806904 /nfs/dbraw/zinc/80/69/04/627806904.db2.gz UFGNNMNTRZAIBL-LBPRGKRZSA-N 0 0 315.797 3.378 20 10 DGCDRN CC[S@](C)(=O)=NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000925860389 627807962 /nfs/dbraw/zinc/80/79/62/627807962.db2.gz YBSPGNUOZQUNAL-NRFANRHFSA-N 0 0 304.415 3.352 20 10 DGCDRN O=C1NCCc2ccc(NCc3cc(Cl)c(F)cc3O)cc21 ZINC000816563815 627808644 /nfs/dbraw/zinc/80/86/44/627808644.db2.gz KQPACKCUPZTCPN-UHFFFAOYSA-N 0 0 320.751 3.083 20 10 DGCDRN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@H]1CCCC[C@H]1O ZINC000816564439 627808661 /nfs/dbraw/zinc/80/86/61/627808661.db2.gz GFKFHRYIXDOZEO-QMTHXVAHSA-N 0 0 301.789 3.168 20 10 DGCDRN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1cc(Cl)c(F)cc1[O-] ZINC000816608396 627814519 /nfs/dbraw/zinc/81/45/19/627814519.db2.gz YNLJMRAVXWAFQH-FJFDNZNASA-N 0 0 311.784 3.040 20 10 DGCDRN C[C@@H](C(=O)NCc1cc(Br)ccc1O)C(C)(F)F ZINC000816654150 627820907 /nfs/dbraw/zinc/82/09/07/627820907.db2.gz VRDPSAFDODWDJO-ZETCQYMHSA-N 0 0 322.149 3.062 20 10 DGCDRN CC(C)[C@]1(CO)CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000816662741 627821260 /nfs/dbraw/zinc/82/12/60/627821260.db2.gz XCQWGBDHOKZWLE-MRXNPFEDSA-N 0 0 315.816 3.415 20 10 DGCDRN Cc1c(NC(=O)c2cccc(O)c2O)cccc1-c1ncco1 ZINC000816797329 627830935 /nfs/dbraw/zinc/83/09/35/627830935.db2.gz BPTGZWSLMOZVBQ-UHFFFAOYSA-N 0 0 310.309 3.314 20 10 DGCDRN Cc1cc(C(=O)N2CCO[C@@H]3C[C@@H]32)c(C)n1-c1cccc(C)c1 ZINC000816898632 627837614 /nfs/dbraw/zinc/83/76/14/627837614.db2.gz FBULMDIEKKDJAQ-ZWKOTPCHSA-N 0 0 310.397 3.016 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCc2cccnc21 ZINC000816914063 627839611 /nfs/dbraw/zinc/83/96/11/627839611.db2.gz CCVGDLGDEZCCDC-MRXNPFEDSA-N 0 0 310.397 3.256 20 10 DGCDRN CC[C@H](O)CNC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000817012296 627846027 /nfs/dbraw/zinc/84/60/27/627846027.db2.gz IPRKDIVIPHIVQM-HNNXBMFYSA-N 0 0 320.820 3.248 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](c1ccccc1)C(F)F ZINC000817224691 627866965 /nfs/dbraw/zinc/86/69/65/627866965.db2.gz WBOKAFWFMBTLNR-MNDMWVCDSA-N 0 0 319.307 3.234 20 10 DGCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1cnns1 ZINC000817295792 627878950 /nfs/dbraw/zinc/87/89/50/627878950.db2.gz WLYXRCVKYLHKOC-ZDUSSCGKSA-N 0 0 303.431 3.382 20 10 DGCDRN C[C@]1(C(=O)NCc2ccc(N3CCCCC3)cc2)CC1(F)F ZINC000817525725 627916411 /nfs/dbraw/zinc/91/64/11/627916411.db2.gz UEXKGWPGSYOMPN-MRXNPFEDSA-N 0 0 308.372 3.338 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CC12CCSCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817589215 627927507 /nfs/dbraw/zinc/92/75/07/627927507.db2.gz MGWIFUDGPBCRGK-NWDGAFQWSA-N 0 0 322.430 3.484 20 10 DGCDRN CC[C@@H]([NH2+][C@H](C)C1(OC)CCOCC1)c1ccc(F)cc1[O-] ZINC000817588845 627927573 /nfs/dbraw/zinc/92/75/73/627927573.db2.gz RSNGNSFJZZAJNV-IUODEOHRSA-N 0 0 311.397 3.156 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NOC1CCCC1 ZINC000840344047 627930658 /nfs/dbraw/zinc/93/06/58/627930658.db2.gz WYBFGZOVJFVNOH-CQSZACIVSA-N 0 0 319.449 3.165 20 10 DGCDRN CCc1cc(NCc2cc(C)cc(Br)c2O)nn1C ZINC000817708637 627936574 /nfs/dbraw/zinc/93/65/74/627936574.db2.gz FJMRRWIDAUFVEA-UHFFFAOYSA-N 0 0 324.222 3.371 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@@H](C)c3ccnn3C)cc12 ZINC000817760674 627946945 /nfs/dbraw/zinc/94/69/45/627946945.db2.gz CSLQZQJFCYTLHU-LBPRGKRZSA-N 0 0 311.385 3.238 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)c3cnc(C)nc3C)cc12 ZINC000817762085 627947367 /nfs/dbraw/zinc/94/73/67/627947367.db2.gz RXBWUNJTUCGLJL-UHFFFAOYSA-N 0 0 309.369 3.421 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)c3cn(C(C)C)nn3)cc12 ZINC000817762141 627947604 /nfs/dbraw/zinc/94/76/04/627947604.db2.gz QIYDEBZMVPRINC-UHFFFAOYSA-N 0 0 312.373 3.187 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@H](O)CC[C@H]1C ZINC000817767391 627947685 /nfs/dbraw/zinc/94/76/85/627947685.db2.gz ATXWEPCJZXPQDL-BXUZGUMPSA-N 0 0 318.442 3.141 20 10 DGCDRN CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000817818115 627950815 /nfs/dbraw/zinc/95/08/15/627950815.db2.gz DFZZLLJOUYFWPU-LBPRGKRZSA-N 0 0 321.417 3.082 20 10 DGCDRN CCCCN(C)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817905202 627958323 /nfs/dbraw/zinc/95/83/23/627958323.db2.gz KLNXJZCUCCHEBA-UHFFFAOYSA-N 0 0 303.431 3.188 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CCCNC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817942033 627968883 /nfs/dbraw/zinc/96/88/83/627968883.db2.gz WBUZWFWTQKGDPI-MFKMUULPSA-N 0 0 303.233 3.492 20 10 DGCDRN C[C@@H]1CN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C[C@H]1C ZINC000817944434 627969890 /nfs/dbraw/zinc/96/98/90/627969890.db2.gz BWGQGGMSHLCXJE-VXGBXAGGSA-N 0 0 315.442 3.044 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CNCC[C@@H]1C)c1cccc(C(F)(F)F)c1[O-] ZINC000817969028 627978610 /nfs/dbraw/zinc/97/86/10/627978610.db2.gz PQMOSSFGIPUGEW-OUJBWJOFSA-N 0 0 302.340 3.060 20 10 DGCDRN CC[C@@H](NCC(F)(F)CN)c1ccc(C(F)(F)F)cc1O ZINC000817968365 627978661 /nfs/dbraw/zinc/97/86/61/627978661.db2.gz QPBCFFGKFZEDCE-SNVBAGLBSA-N 0 0 312.282 3.046 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000817972954 627980381 /nfs/dbraw/zinc/98/03/81/627980381.db2.gz ACDYAHKBPCIMKR-DIFFPNOSSA-N 0 0 318.367 3.208 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817976205 627980994 /nfs/dbraw/zinc/98/09/94/627980994.db2.gz IDBHMPMRQKIJHE-AUTRQRHGSA-N 0 0 321.223 3.440 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1c([O-])cccc1F ZINC000926922209 627981902 /nfs/dbraw/zinc/98/19/02/627981902.db2.gz IOQXFTMSTQSTTM-QWRGUYRKSA-N 0 0 320.330 3.209 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1CCN1C(=O)OC(C)(C)C)c1c([O-])cccc1F ZINC000927002615 627995498 /nfs/dbraw/zinc/99/54/98/627995498.db2.gz WJWRTZXLQJEWAB-NEPJUHHUSA-N 0 0 324.396 3.191 20 10 DGCDRN C[C@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1cc(F)cc(F)c1[O-] ZINC000927053127 628002700 /nfs/dbraw/zinc/00/27/00/628002700.db2.gz ALPARMHFODZQRJ-UVJIQFMESA-N 0 0 313.344 3.004 20 10 DGCDRN CCc1noc([C@@H]2CC[C@@H]([NH2+][C@H](C)c3c([O-])cccc3F)C2)n1 ZINC000927054522 628003722 /nfs/dbraw/zinc/00/37/22/628003722.db2.gz VRTCQNVMNZDFPB-IJLUTSLNSA-N 0 0 319.380 3.464 20 10 DGCDRN C[C@H](Nc1ccc(COCCO)cc1)c1ccc(N(C)C)cc1 ZINC000818362300 628019047 /nfs/dbraw/zinc/01/90/47/628019047.db2.gz UTXMVSMHCGQSMB-HNNXBMFYSA-N 0 0 314.429 3.435 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000840363896 628042909 /nfs/dbraw/zinc/04/29/09/628042909.db2.gz FQJFNGLJGXEQNL-JEBQAFNWSA-N 0 0 315.461 3.090 20 10 DGCDRN COc1ccc(N2CCN(C(=O)[C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000819003194 628076347 /nfs/dbraw/zinc/07/63/47/628076347.db2.gz AOXODRTXTLSBSZ-YJBOKZPZSA-N 0 0 316.445 3.170 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC[C@H]2CC(C)(C)OC2(C)C)c1 ZINC000927625465 628084167 /nfs/dbraw/zinc/08/41/67/628084167.db2.gz CETZUVUYVGVWRZ-CQSZACIVSA-N 0 0 320.433 3.094 20 10 DGCDRN C[C@H](NC(=O)NCC[C@@H]1CCC2(CCC2)O1)c1ccccc1O ZINC000927748670 628097916 /nfs/dbraw/zinc/09/79/16/628097916.db2.gz XOJPLQOLIDFEPH-KBPBESRZSA-N 0 0 318.417 3.244 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@H](C)[C@H](C(=O)[O-])C(C)C)cc1 ZINC000819164923 628103808 /nfs/dbraw/zinc/10/38/08/628103808.db2.gz XPLUINFUFHZECB-RHSMWYFYSA-N 0 0 306.450 3.368 20 10 DGCDRN CC[C@@H]1CCCC[C@H]1N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819165236 628103961 /nfs/dbraw/zinc/10/39/61/628103961.db2.gz RAVNKIZFHNMDST-UKRRQHHQSA-N 0 0 316.401 3.125 20 10 DGCDRN CCCCC[C@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819166375 628104062 /nfs/dbraw/zinc/10/40/62/628104062.db2.gz VPQAIYCCMNNJST-ZDUSSCGKSA-N 0 0 304.390 3.125 20 10 DGCDRN CCOCc1cc(C[NH2+][C@@H](C)[C@H](C(=O)[O-])C(C)C)ccc1OC ZINC000819163513 628104090 /nfs/dbraw/zinc/10/40/90/628104090.db2.gz KINYDQJXTNPAPB-SUMWQHHRSA-N 0 0 323.433 3.067 20 10 DGCDRN CC[C@H]1CCC[C@@H](N2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000819169162 628104533 /nfs/dbraw/zinc/10/45/33/628104533.db2.gz XSNRUQAZCLSYIF-DZGCQCFKSA-N 0 0 316.401 3.125 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)/C=C/[C@@H]1CCCO1 ZINC000819524489 628166588 /nfs/dbraw/zinc/16/65/88/628166588.db2.gz MNQLSUPYUFAWFP-OFAQMXQXSA-N 0 0 303.402 3.256 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)C(F)=C3CCC3)C2)cc1 ZINC000819588508 628172024 /nfs/dbraw/zinc/17/20/24/628172024.db2.gz WQJQOMNQQVHIIG-CYBMUJFWSA-N 0 0 318.392 3.045 20 10 DGCDRN CC[C@H](C)CCC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819588966 628172304 /nfs/dbraw/zinc/17/23/04/628172304.db2.gz BCORUKUJEUXEAT-JKSUJKDBSA-N 0 0 318.461 3.464 20 10 DGCDRN Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCc1c(O)cccc1F ZINC000928705510 628179252 /nfs/dbraw/zinc/17/92/52/628179252.db2.gz KQJOMGIFSSEKLB-QWRGUYRKSA-N 0 0 305.374 3.321 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@@H]1CCCc2sccc21 ZINC000928704925 628179581 /nfs/dbraw/zinc/17/95/81/628179581.db2.gz GFLIYZXBOIJQPD-LLVKDONJSA-N 0 0 305.374 3.329 20 10 DGCDRN CCCC[C@@H](C)C(=O)N(CC(=O)OCC)Cc1ccccc1O ZINC000819699094 628180313 /nfs/dbraw/zinc/18/03/13/628180313.db2.gz XCBGZJOBUGCCRX-CQSZACIVSA-N 0 0 321.417 3.110 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(OC)cc1C ZINC000819756025 628186539 /nfs/dbraw/zinc/18/65/39/628186539.db2.gz PZUVARQAMOPEME-UHFFFAOYSA-N 0 0 320.385 3.125 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000819798121 628190943 /nfs/dbraw/zinc/19/09/43/628190943.db2.gz SRDUAUSAVXXJMJ-KOMYPQRHSA-N 0 0 301.386 3.196 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H](OC)C2CCC2)cc1 ZINC000819973692 628207739 /nfs/dbraw/zinc/20/77/39/628207739.db2.gz ARRQSSNPUJWAHV-SFHVURJKSA-N 0 0 318.461 3.306 20 10 DGCDRN C[C@H]1CCC[C@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000820253954 628239915 /nfs/dbraw/zinc/23/99/15/628239915.db2.gz WHECKSQXWZFHEZ-RYUDHWBXSA-N 0 0 302.378 3.500 20 10 DGCDRN CO[C@@H]1CC[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000821033042 628329139 /nfs/dbraw/zinc/32/91/39/628329139.db2.gz KAYJMVMIIFIWON-CRAIPNDOSA-N 0 0 316.445 3.059 20 10 DGCDRN CC[C@@H](Cc1cccc(C)c1)C(=O)NCc1ccc(O)c(O)c1 ZINC000821070848 628334131 /nfs/dbraw/zinc/33/41/31/628334131.db2.gz OQDCGVWQZQOZOM-INIZCTEOSA-N 0 0 313.397 3.291 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CS[C@@H](C)C1 ZINC000840416765 628343741 /nfs/dbraw/zinc/34/37/41/628343741.db2.gz MSSSTGBABKMUAF-ZFWWWQNUSA-N 0 0 321.490 3.178 20 10 DGCDRN C[C@H](CNC(=O)N(C)Cc1ccccc1O)CC(F)(F)F ZINC000840433333 628348164 /nfs/dbraw/zinc/34/81/64/628348164.db2.gz PZZJNLCAOLVTHT-JTQLQIEISA-N 0 0 304.312 3.122 20 10 DGCDRN Cc1ccc(CCNC(=O)N(C)Cc2ccccc2O)cc1C ZINC000821754406 628394995 /nfs/dbraw/zinc/39/49/95/628394995.db2.gz CCTQZFLRAWBGMG-UHFFFAOYSA-N 0 0 312.413 3.393 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCC(C)(C)F ZINC000822094332 628421469 /nfs/dbraw/zinc/42/14/69/628421469.db2.gz NPSRYYPEBSXHQI-UHFFFAOYSA-N 0 0 309.429 3.422 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)/C=C/[C@H]2CCOC2)cc1 ZINC000822269712 628434358 /nfs/dbraw/zinc/43/43/58/628434358.db2.gz SYTHDRKXAQEFNH-YRYLYKBFSA-N 0 0 316.445 3.084 20 10 DGCDRN COc1ccc2c(c1)CCCN2C(=O)/C=C\c1cccnc1C ZINC000822341813 628442709 /nfs/dbraw/zinc/44/27/09/628442709.db2.gz KHGBKLBYIVGBFG-YFHOEESVSA-N 0 0 308.381 3.391 20 10 DGCDRN CCC[C@@H](C)NC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000822580157 628467504 /nfs/dbraw/zinc/46/75/04/628467504.db2.gz QXBYJLAZPYHJQZ-CABCVRRESA-N 0 0 319.449 3.009 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@H]2CC23CCSCC3)cc1F ZINC000822863148 628503633 /nfs/dbraw/zinc/50/36/33/628503633.db2.gz MCMGTKUJKBKLKH-CYBMUJFWSA-N 0 0 322.449 3.041 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H](C3CC3)C2)cc1 ZINC000822978506 628515480 /nfs/dbraw/zinc/51/54/80/628515480.db2.gz JLAGBNHPRTXXGH-ZDUSSCGKSA-N 0 0 300.362 3.111 20 10 DGCDRN CC(C)[C@H]1N(C(=O)c2ccc(N=NC(N)=O)cc2)CC1(C)C ZINC000823139426 628529961 /nfs/dbraw/zinc/52/99/61/628529961.db2.gz QHNWSNCZTOUIGM-CYBMUJFWSA-N 0 0 302.378 3.356 20 10 DGCDRN COc1ccc(N(Cc2nc(C(F)F)no2)CC2CC2)cc1 ZINC000823215638 628538361 /nfs/dbraw/zinc/53/83/61/628538361.db2.gz KXQJIPMFNWXOCS-UHFFFAOYSA-N 0 0 309.316 3.432 20 10 DGCDRN CCCC[C@@](C)(F)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000823293126 628547054 /nfs/dbraw/zinc/54/70/54/628547054.db2.gz XZQKFAKOOHAELD-GOSISDBHSA-N 0 0 322.424 3.058 20 10 DGCDRN O=C(NCCCSc1nccs1)c1cc2c([nH]1)CCCC2 ZINC000823297835 628547493 /nfs/dbraw/zinc/54/74/93/628547493.db2.gz IWJXDSRNSWGUBI-UHFFFAOYSA-N 0 0 321.471 3.262 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@@H]1C(C)C ZINC000840478695 628551663 /nfs/dbraw/zinc/55/16/63/628551663.db2.gz BJAGFOKZJSWPIK-MAUKXSAKSA-N 0 0 317.477 3.432 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC2(C3CCC3)CCC2)cc1 ZINC000823541004 628574056 /nfs/dbraw/zinc/57/40/56/628574056.db2.gz GQCLTXLJIBPHFB-UHFFFAOYSA-N 0 0 300.362 3.302 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC[C@@H]1C ZINC000840480553 628575081 /nfs/dbraw/zinc/57/50/81/628575081.db2.gz WXNSHCZFFFMUNR-CABCVRRESA-N 0 0 303.450 3.186 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CC[C@H](C3CCC3)C2)cc1 ZINC000823669419 628585807 /nfs/dbraw/zinc/58/58/07/628585807.db2.gz IVJZKJQKGVYYHO-ZDUSSCGKSA-N 0 0 300.362 3.111 20 10 DGCDRN C[C@@H](NC(=O)[C@H]1CCC1(C)C)c1ccc(N2CCOCC2)cc1 ZINC000823835344 628600960 /nfs/dbraw/zinc/60/09/60/628600960.db2.gz XRYVEXDHYIICTC-RHSMWYFYSA-N 0 0 316.445 3.137 20 10 DGCDRN C[C@H](NC(=O)[C@@H]1CCC1(C)C)c1ccc(N2CCOCC2)cc1 ZINC000823835346 628601176 /nfs/dbraw/zinc/60/11/76/628601176.db2.gz XRYVEXDHYIICTC-YOEHRIQHSA-N 0 0 316.445 3.137 20 10 DGCDRN CCC1(NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000840486253 628648439 /nfs/dbraw/zinc/64/84/39/628648439.db2.gz YYHBQRJTUPKXMG-AWEZNQCLSA-N 0 0 303.450 3.234 20 10 DGCDRN C[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CC[N@@H+](C2CC2)C1 ZINC000824445471 628661244 /nfs/dbraw/zinc/66/12/44/628661244.db2.gz AFZAXSFAKDIZQA-LLVKDONJSA-N 0 0 312.816 3.101 20 10 DGCDRN C[C@H]1CSc2ccccc2N(C(=O)/C=C/c2cn(C)cn2)C1 ZINC000824462107 628662373 /nfs/dbraw/zinc/66/23/73/628662373.db2.gz PJUDYOPDLCSTQP-SBDDDAINSA-N 0 0 313.426 3.208 20 10 DGCDRN C[C@@H](Cc1ccco1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000824676262 628682497 /nfs/dbraw/zinc/68/24/97/628682497.db2.gz HZJJVCNMIPZGTI-AWEZNQCLSA-N 0 0 312.413 3.157 20 10 DGCDRN COc1c([O-])c(C[NH2+]CC(C)(C)C2CCC2)ccc1[N+](=O)[O-] ZINC000824790286 628694149 /nfs/dbraw/zinc/69/41/49/628694149.db2.gz QJYHRTRAKABDOE-UHFFFAOYSA-N 0 0 308.378 3.225 20 10 DGCDRN C[C@@H]1CSCCN1Cc1ccc(Br)cc1O ZINC000824808965 628695918 /nfs/dbraw/zinc/69/59/18/628695918.db2.gz OKUHHBUBBARWOG-SECBINFHSA-N 0 0 302.237 3.092 20 10 DGCDRN CC(C)OC(=O)[C@H](C)NCc1ccc(N2CCCCC2)cc1 ZINC000825117598 628729883 /nfs/dbraw/zinc/72/98/83/628729883.db2.gz HYAGNMDHOJVMLX-HNNXBMFYSA-N 0 0 304.434 3.107 20 10 DGCDRN COCC1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCCC1 ZINC000825245975 628741367 /nfs/dbraw/zinc/74/13/67/628741367.db2.gz VHTRIARAHMRZGW-UHFFFAOYSA-N 0 0 301.789 3.481 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Nc1ccc2c(c1)CCOC2 ZINC000825246755 628742104 /nfs/dbraw/zinc/74/21/04/628742104.db2.gz IKICHNFBYXSJRH-UHFFFAOYSA-N 0 0 312.369 3.129 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cnc3[nH]ccc3c2)cc1 ZINC000825328039 628750411 /nfs/dbraw/zinc/75/04/11/628750411.db2.gz XAQQOJZCDAROAC-UHFFFAOYSA-N 0 0 322.412 3.291 20 10 DGCDRN Oc1cc(Br)ccc1CNc1ccnn1CC1CC1 ZINC000825358989 628753283 /nfs/dbraw/zinc/75/32/83/628753283.db2.gz WAZDJNTVTGCADF-UHFFFAOYSA-N 0 0 322.206 3.373 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2scnc2C(C)C)c1 ZINC000825737039 628792855 /nfs/dbraw/zinc/79/28/55/628792855.db2.gz QSOZDZIDIMRQOZ-JTQLQIEISA-N 0 0 320.414 3.472 20 10 DGCDRN COCC[N@H+](Cc1cccnc1)Cc1cc(Cl)c(C)cc1O ZINC000825916641 628810365 /nfs/dbraw/zinc/81/03/65/628810365.db2.gz RBZUUJSPYADCQB-UHFFFAOYSA-N 0 0 320.820 3.398 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1cnn2c1CCC2 ZINC000825939673 628812274 /nfs/dbraw/zinc/81/22/74/628812274.db2.gz GCCNCUCRGHLHCA-UHFFFAOYSA-N 0 0 312.200 3.132 20 10 DGCDRN Cc1cnccc1/C=C/C(=O)NCc1ccc(N(C)C)cc1C ZINC000825980438 628817578 /nfs/dbraw/zinc/81/75/78/628817578.db2.gz CTOLWIOGIAGFEM-SOFGYWHQSA-N 0 0 309.413 3.094 20 10 DGCDRN C[C@@]1(F)CCCN(Cc2ccc(Br)cc2O)C1 ZINC000826030473 628821544 /nfs/dbraw/zinc/82/15/44/628821544.db2.gz ZMTONSZSIXPKKQ-CYBMUJFWSA-N 0 0 302.187 3.479 20 10 DGCDRN Cc1cc(Cl)cc(CNc2cccc(-c3nn[nH]n3)c2)c1O ZINC000826267555 628836636 /nfs/dbraw/zinc/83/66/36/628836636.db2.gz KQKMVUHSOKRNRB-UHFFFAOYSA-N 0 0 315.764 3.146 20 10 DGCDRN C[C@@H](CNC(=O)NCCCSc1nccs1)CC(F)F ZINC000826692456 628873617 /nfs/dbraw/zinc/87/36/17/628873617.db2.gz HXRYNDNBSNQDOY-SECBINFHSA-N 0 0 323.434 3.216 20 10 DGCDRN COc1cc(Cl)cc(CN2CCO[C@@](C)(C3CC3)C2)c1O ZINC000826878130 628898749 /nfs/dbraw/zinc/89/87/49/628898749.db2.gz UHUNUNFMLNXGKM-MRXNPFEDSA-N 0 0 311.809 3.055 20 10 DGCDRN CCc1nocc1C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000826941894 628905774 /nfs/dbraw/zinc/90/57/74/628905774.db2.gz MATIDAGXVMPWEK-UHFFFAOYSA-N 0 0 319.380 3.152 20 10 DGCDRN CCc1cccc(CNc2ccc3c(c2)CCN(C)C3=O)c1O ZINC000827044486 628915626 /nfs/dbraw/zinc/91/56/26/628915626.db2.gz NIQISUDEFQQXNU-UHFFFAOYSA-N 0 0 310.397 3.195 20 10 DGCDRN COC(=O)[C@](C)(CCF)NCc1ccc(N2CCCCC2)cc1 ZINC000827352732 628951876 /nfs/dbraw/zinc/95/18/76/628951876.db2.gz ODXIOPKIAMPGRE-SFHVURJKSA-N 0 0 322.424 3.058 20 10 DGCDRN Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(Cl)cn1 ZINC000827354810 628952786 /nfs/dbraw/zinc/95/27/86/628952786.db2.gz TUPSKFXPTDVKPL-UHFFFAOYSA-N 0 0 317.820 3.421 20 10 DGCDRN CCN(CC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C)C1CC1 ZINC000827400193 628955816 /nfs/dbraw/zinc/95/58/16/628955816.db2.gz CUQUFCVEFJGWTE-UHFFFAOYSA-N 0 0 315.392 3.295 20 10 DGCDRN COc1cccc(C[C@H]2CCCN2C(=O)Cc2ccc(N)cc2)c1 ZINC000827455028 628960804 /nfs/dbraw/zinc/96/08/04/628960804.db2.gz WSVQEVYPLYGJKV-GOSISDBHSA-N 0 0 324.424 3.054 20 10 DGCDRN Cc1cc(O)c(C[N@H+]2CCC[C@@H](C(=O)NC(C)C)C2)cc1Cl ZINC000827674020 628982090 /nfs/dbraw/zinc/98/20/90/628982090.db2.gz KETPHAPNNZXZAZ-CYBMUJFWSA-N 0 0 324.852 3.091 20 10 DGCDRN CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000827751352 628988639 /nfs/dbraw/zinc/98/86/39/628988639.db2.gz TXMJYQKVVMEWQK-CJNGLKHVSA-N 0 0 311.809 3.257 20 10 DGCDRN C[C@@H](O)[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccccc1 ZINC000827855692 628997663 /nfs/dbraw/zinc/99/76/63/628997663.db2.gz GRZSBBRLCHGOTH-BMIGLBTASA-N 0 0 309.768 3.396 20 10 DGCDRN Cc1c(C(=O)N[C@H](C)c2ccccc2O)[nH]c2c1C(=O)CCC2 ZINC000827923013 629003683 /nfs/dbraw/zinc/00/36/83/629003683.db2.gz HLJCHBIEGYNFTE-LLVKDONJSA-N 0 0 312.369 3.039 20 10 DGCDRN Cc1noc(C)c1[C@@H](C)CC(=O)N[C@H](C)c1ccccc1O ZINC000827940704 629005892 /nfs/dbraw/zinc/00/58/92/629005892.db2.gz IDUGTBSOADJPEN-WDEREUQCSA-N 0 0 302.374 3.368 20 10 DGCDRN COc1ccc(C(=O)N[C@H](C)c2ccccc2O)c(C)c1OC ZINC000827947046 629006547 /nfs/dbraw/zinc/00/65/47/629006547.db2.gz ZJSYMUCMMCQRRX-GFCCVEGCSA-N 0 0 315.369 3.209 20 10 DGCDRN COC1(C(=O)N[C@H](C)c2ccccc2O)CCC(F)(F)CC1 ZINC000827956345 629007589 /nfs/dbraw/zinc/00/75/89/629007589.db2.gz KMAYAHCRWDVMRO-LLVKDONJSA-N 0 0 313.344 3.164 20 10 DGCDRN CC(C)C[C@H](C(=O)N[C@@H](C)c1ccccc1O)n1ccnc1 ZINC000827960289 629008386 /nfs/dbraw/zinc/00/83/86/629008386.db2.gz NBXKIDBRRDXXPH-DZGCQCFKSA-N 0 0 301.390 3.053 20 10 DGCDRN C[C@@H](NC(=O)C1([C@@H]2CCCCO2)CCC1)c1ccccc1O ZINC000827957872 629008396 /nfs/dbraw/zinc/00/83/96/629008396.db2.gz ZPVWKHVOQWWRJF-CJNGLKHVSA-N 0 0 303.402 3.309 20 10 DGCDRN C[C@H](NC(=O)[C@@H]1CCCN1c1ccccc1)c1ccccc1O ZINC000827969148 629009423 /nfs/dbraw/zinc/00/94/23/629009423.db2.gz IKGMAFDYQRZBKU-YOEHRIQHSA-N 0 0 310.397 3.238 20 10 DGCDRN C[C@H](NC(=O)[C@H](C)Sc1ccccn1)c1ccccc1O ZINC000827973001 629009792 /nfs/dbraw/zinc/00/97/92/629009792.db2.gz FZCLPWMQTBNXDI-RYUDHWBXSA-N 0 0 302.399 3.145 20 10 DGCDRN Oc1ccc(Br)cc1CNc1nc(C2CCC2)no1 ZINC000828194677 629031720 /nfs/dbraw/zinc/03/17/20/629031720.db2.gz QOUUJCQTANMFCH-UHFFFAOYSA-N 0 0 324.178 3.417 20 10 DGCDRN COc1ccc2c(c1)CCCCN2Cc1cn(CC2CC2)nn1 ZINC000828569539 629068778 /nfs/dbraw/zinc/06/87/78/629068778.db2.gz PQHYYZQWQAVMKQ-UHFFFAOYSA-N 0 0 312.417 3.040 20 10 DGCDRN COc1cc2c(c(OC)c1)N(CCC[C@H]1CCOC1)CCC2 ZINC000828627517 629077148 /nfs/dbraw/zinc/07/71/48/629077148.db2.gz WIGOYSJNZBHICH-AWEZNQCLSA-N 0 0 305.418 3.273 20 10 DGCDRN COC1CCN(c2ccc(CN3CCC(F)(F)C3)cc2)CC1 ZINC000828731822 629086115 /nfs/dbraw/zinc/08/61/15/629086115.db2.gz YMMKLWTYRSHVGB-UHFFFAOYSA-N 0 0 310.388 3.143 20 10 DGCDRN COC(=O)c1cnc(SCc2ccc3c(c2)COC3)s1 ZINC000829681479 629182061 /nfs/dbraw/zinc/18/20/61/629182061.db2.gz XMGQXUYYNYZJQR-UHFFFAOYSA-N 0 0 307.396 3.252 20 10 DGCDRN COC(=O)c1cnc(SCCOc2cccc(C)c2)s1 ZINC000829692818 629183171 /nfs/dbraw/zinc/18/31/71/629183171.db2.gz TUXVTEPHVVIDFM-UHFFFAOYSA-N 0 0 309.412 3.409 20 10 DGCDRN O=C(COC(=O)[C@@H]1CCCC[C@@H]1C1CC1)c1ccc(O)c(O)c1 ZINC000829746235 629187286 /nfs/dbraw/zinc/18/72/86/629187286.db2.gz PLCOODYOLKPGMQ-ZIAGYGMSSA-N 0 0 318.369 3.040 20 10 DGCDRN CCOc1ccc(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c(O)c1 ZINC000830074937 629222336 /nfs/dbraw/zinc/22/23/36/629222336.db2.gz AJJJYQSEDJLFAO-WQVCFCJDSA-N 0 0 319.401 3.009 20 10 DGCDRN CCOc1ccc(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c(O)c1 ZINC000830074932 629222573 /nfs/dbraw/zinc/22/25/73/629222573.db2.gz AJJJYQSEDJLFAO-MAZHCROVSA-N 0 0 319.401 3.009 20 10 DGCDRN CCc1cc(C[N@@H+]2CC[C@@](F)(C(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC000830218864 629240379 /nfs/dbraw/zinc/24/03/79/629240379.db2.gz VLUDVAABZBQHEP-SFHVURJKSA-N 0 0 323.408 3.251 20 10 DGCDRN C[C@H](CCCC(F)(F)F)NC(=O)c1c(F)ccc(O)c1O ZINC000830418654 629267458 /nfs/dbraw/zinc/26/74/58/629267458.db2.gz JLMONFQWTJSABE-SSDOTTSWSA-N 0 0 309.259 3.088 20 10 DGCDRN CC(C)(C)OC(=O)[C@@H](C(=O)NCc1ccccc1O)C(C)(C)C ZINC000830526394 629281081 /nfs/dbraw/zinc/28/10/81/629281081.db2.gz LCAORPODIIJZER-CQSZACIVSA-N 0 0 321.417 3.012 20 10 DGCDRN COc1cccc(CNC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)c1O ZINC000830541354 629282377 /nfs/dbraw/zinc/28/23/77/629282377.db2.gz WQDOJYTXWGTDGZ-FOLVSLTJSA-N 0 0 303.402 3.233 20 10 DGCDRN COc1cccc(CNC(=O)C2[C@@H]3CCCCCC[C@@H]23)c1O ZINC000830541359 629282449 /nfs/dbraw/zinc/28/24/49/629282449.db2.gz WQDOJYTXWGTDGZ-ZIAGYGMSSA-N 0 0 303.402 3.233 20 10 DGCDRN CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1CC1CC1 ZINC000830679500 629294812 /nfs/dbraw/zinc/29/48/12/629294812.db2.gz COTLTCGEPCGFKD-UHFFFAOYSA-N 0 0 314.433 3.229 20 10 DGCDRN Cn1cccc1C[N@H+](C)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000830806252 629307369 /nfs/dbraw/zinc/30/73/69/629307369.db2.gz JQRIAPLOECCGDX-UHFFFAOYSA-N 0 0 324.380 3.214 20 10 DGCDRN Nc1ccc(CC(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000831447634 629378394 /nfs/dbraw/zinc/37/83/94/629378394.db2.gz AVFUNFGQJADSRN-LPHOPBHVSA-N 0 0 324.424 3.095 20 10 DGCDRN Nc1ccc(CC(=O)NCC2(c3ccccc3Cl)CC2)cc1 ZINC000831481775 629381307 /nfs/dbraw/zinc/38/13/07/629381307.db2.gz UUJRBHFCQDTRIH-UHFFFAOYSA-N 0 0 314.816 3.313 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCSC[C@H]2C2CC2)c1O ZINC000831773697 629410464 /nfs/dbraw/zinc/41/04/64/629410464.db2.gz RRLHOFSXAFXOSQ-HNNXBMFYSA-N 0 0 309.406 3.061 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(C2CC2)cc1 ZINC000831931005 629429231 /nfs/dbraw/zinc/42/92/31/629429231.db2.gz LGYPMXAXODQZFL-LBPRGKRZSA-N 0 0 311.381 3.336 20 10 DGCDRN Cc1cc(F)cc(C)c1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000831930801 629429271 /nfs/dbraw/zinc/42/92/71/629429271.db2.gz JDVPSPSNIFJAMC-LBPRGKRZSA-N 0 0 317.360 3.215 20 10 DGCDRN Nc1ccc(CC(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC000832108340 629442403 /nfs/dbraw/zinc/44/24/03/629442403.db2.gz AZDJMONFNXQRMZ-PKOBYXMFSA-N 0 0 308.425 3.339 20 10 DGCDRN Cc1cc(C)cc([C@H]2CCN(C(=O)Cc3ccc(N)cc3)C2)c1 ZINC000832152564 629446209 /nfs/dbraw/zinc/44/62/09/629446209.db2.gz RJSSNASQWSMLJZ-KRWDZBQOSA-N 0 0 308.425 3.444 20 10 DGCDRN Cc1cc(CC(=O)NCCOC(C)C)c(C)n1-c1ccccc1 ZINC000832147366 629446284 /nfs/dbraw/zinc/44/62/84/629446284.db2.gz IHQQOJATOIQPKD-UHFFFAOYSA-N 0 0 314.429 3.178 20 10 DGCDRN CC(=O)SCCCCCCNC(=O)C1=CC(=O)CS1 ZINC000832369538 629472125 /nfs/dbraw/zinc/47/21/25/629472125.db2.gz PJQFKISPVMNAMC-UHFFFAOYSA-N 0 0 301.433 3.024 20 10 DGCDRN CC(C(=O)NCc1cc(Br)ccc1O)=C1CCC1 ZINC000832445824 629481354 /nfs/dbraw/zinc/48/13/54/629481354.db2.gz JYZQRNRZUOJIAB-UHFFFAOYSA-N 0 0 310.191 3.271 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000832898246 629530231 /nfs/dbraw/zinc/53/02/31/629530231.db2.gz FWVXJLZWPLLYQW-ZDUSSCGKSA-N 0 0 323.801 3.401 20 10 DGCDRN CC[C@H](CO)N(C)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000833336954 629586932 /nfs/dbraw/zinc/58/69/32/629586932.db2.gz KOMFDOCBOAZAQM-OAHLLOKOSA-N 0 0 318.392 3.076 20 10 DGCDRN COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC000833733814 629644371 /nfs/dbraw/zinc/64/43/71/629644371.db2.gz RIDQRZUBHPJOPE-ZJUUUORDSA-N 0 0 305.330 3.104 20 10 DGCDRN Cc1cc(O)c(C[N@H+](CCc2ccccc2)CC(=O)[O-])cc1C ZINC000833746724 629645851 /nfs/dbraw/zinc/64/58/51/629645851.db2.gz GZYOOQXGHHAPOF-UHFFFAOYSA-N 0 0 313.397 3.138 20 10 DGCDRN COc1ccc(N(Cc2cccc(C(N)=O)c2)C(C)C)cc1F ZINC000101567454 629741379 /nfs/dbraw/zinc/74/13/79/629741379.db2.gz UOLRUOWNMDUPNF-UHFFFAOYSA-N 0 0 316.376 3.348 20 10 DGCDRN Oc1cccc2c1[C@H](Nc1cccc(N3CCOCC3)c1)CC2 ZINC000834710033 629762665 /nfs/dbraw/zinc/76/26/65/629762665.db2.gz PSWZMMXNCZTBGI-QGZVFWFLSA-N 0 0 310.397 3.328 20 10 DGCDRN COC[C@](C)(O)CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000834843378 629788958 /nfs/dbraw/zinc/78/89/58/629788958.db2.gz IILOUFWJHGKXQX-YMTOWFKASA-N 0 0 322.232 3.137 20 10 DGCDRN Cc1ccc(C(=O)N2CC[C@@]3(CCc4ccccc43)C2)c(O)c1O ZINC000834854543 629790549 /nfs/dbraw/zinc/79/05/49/629790549.db2.gz AXIUYQNLSVOWRQ-FQEVSTJZSA-N 0 0 323.392 3.136 20 10 DGCDRN Cc1cc(C)c(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000834903499 629803818 /nfs/dbraw/zinc/80/38/18/629803818.db2.gz PWXYBWOSCZNAER-LBPRGKRZSA-N 0 0 301.346 3.163 20 10 DGCDRN COCC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCCC1 ZINC000834904705 629805031 /nfs/dbraw/zinc/80/50/31/629805031.db2.gz BKDUHTRVQKUZFI-LBPRGKRZSA-N 0 0 308.378 3.158 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1C[C@H]2CCCCN2C1=O)c1cccc(Cl)c1[O-] ZINC000834916439 629808177 /nfs/dbraw/zinc/80/81/77/629808177.db2.gz YTHMCLPTDVPVSS-BYCMXARLSA-N 0 0 322.836 3.240 20 10 DGCDRN Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1C ZINC000834916444 629808185 /nfs/dbraw/zinc/80/81/85/629808185.db2.gz YUAZMYYJKJOXHB-RHSMWYFYSA-N 0 0 317.404 3.402 20 10 DGCDRN CCCn1c(=O)c2ccccc2nc1Sc1nccs1 ZINC000834980141 629817004 /nfs/dbraw/zinc/81/70/04/629817004.db2.gz SHANXFJAOUZYKG-UHFFFAOYSA-N 0 0 303.412 3.414 20 10 DGCDRN CN(C)c1ccc(/C=C/CNc2ccc3c(c2)C(=O)NCC3)cc1 ZINC000835045014 629833683 /nfs/dbraw/zinc/83/36/83/629833683.db2.gz RCBFSGIFZBUGPJ-ONEGZZNKSA-N 0 0 321.424 3.164 20 10 DGCDRN CN(C)c1nc(CNC/C=C\c2ccc(N(C)C)cc2)cs1 ZINC000835043608 629833803 /nfs/dbraw/zinc/83/38/03/629833803.db2.gz SYPRTVXOTYVXRC-WAYWQWQTSA-N 0 0 316.474 3.078 20 10 DGCDRN Cc1nn(C)c2ncc(NC/C=C\c3ccc(N(C)C)cc3)cc12 ZINC000835044202 629833876 /nfs/dbraw/zinc/83/38/76/629833876.db2.gz HFHDMBBYSXSWKO-WAYWQWQTSA-N 0 0 321.428 3.468 20 10 DGCDRN COCc1nc(CNC/C=C\c2ccc(N(C)C)cc2)cs1 ZINC000835055999 629839875 /nfs/dbraw/zinc/83/98/75/629839875.db2.gz QULZCKMENGJEEY-PLNGDYQASA-N 0 0 317.458 3.159 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@]2(C)CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000835075311 629844483 /nfs/dbraw/zinc/84/44/83/629844483.db2.gz XKZGFDFNOSOIBL-BDJLRTHQSA-N 0 0 308.378 3.367 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@]2(C)CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000835075313 629844561 /nfs/dbraw/zinc/84/45/61/629844561.db2.gz XKZGFDFNOSOIBL-MEDUHNTESA-N 0 0 308.378 3.367 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC[C@@H]2CC=CCC2)cc1F ZINC000102003136 629904167 /nfs/dbraw/zinc/90/41/67/629904167.db2.gz YFERICZQUQQTQS-CYBMUJFWSA-N 0 0 305.397 3.047 20 10 DGCDRN C[C@H](NC(=O)OCCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000867125890 629947657 /nfs/dbraw/zinc/94/76/57/629947657.db2.gz ORULUQSKBZGJIF-JTQLQIEISA-N 0 0 304.312 3.492 20 10 DGCDRN Cc1ccc2c(CN(C)c3ccc4c(c3)OCO4)cc(=O)oc2c1 ZINC000121430354 629993823 /nfs/dbraw/zinc/99/38/23/629993823.db2.gz BAENLFPIFDDSDZ-UHFFFAOYSA-N 0 0 323.348 3.467 20 10 DGCDRN CCOCCC1(C(=O)NCc2ccc(N(C)C)cc2C)CCC1 ZINC000121436472 629996703 /nfs/dbraw/zinc/99/67/03/629996703.db2.gz YKKOBBGGLUBXFD-UHFFFAOYSA-N 0 0 318.461 3.274 20 10 DGCDRN Cc1cc(C(=O)O[C@H]2CCOC[C@H]2C)c(C)n1-c1ccccn1 ZINC000835782196 630001855 /nfs/dbraw/zinc/00/18/55/630001855.db2.gz ITRFMEJFZBFISH-WBMJQRKESA-N 0 0 314.385 3.071 20 10 DGCDRN Cc1cc(C(=O)O[C@@H]2CCOC[C@@H]2C)c(C)n1-c1ccccn1 ZINC000835782193 630001980 /nfs/dbraw/zinc/00/19/80/630001980.db2.gz ITRFMEJFZBFISH-BLLLJJGKSA-N 0 0 314.385 3.071 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CC1(O)CCCCC1 ZINC000102426081 630105399 /nfs/dbraw/zinc/10/53/99/630105399.db2.gz KAORTONFMUMXJX-UHFFFAOYSA-N 0 0 304.217 3.484 20 10 DGCDRN CCC(C)(C)OCCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000836406081 630110067 /nfs/dbraw/zinc/11/00/67/630110067.db2.gz PRBXCSCSOUFDPC-AWEZNQCLSA-N 0 0 321.465 3.318 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C)C2CC2)cc1 ZINC000836563859 630133629 /nfs/dbraw/zinc/13/36/29/630133629.db2.gz JJZYWKPTUFNJRX-CQSZACIVSA-N 0 0 303.450 3.473 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C2CC2)C2CCC2)c1 ZINC000836687672 630150752 /nfs/dbraw/zinc/15/07/52/630150752.db2.gz WLGNASRKAMTLHZ-APPDUMDISA-N 0 0 318.417 3.340 20 10 DGCDRN COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H](F)C3)c2C)cc1 ZINC000836820547 630167603 /nfs/dbraw/zinc/16/76/03/630167603.db2.gz YEFZVFPQASXZJV-CQSZACIVSA-N 0 0 316.376 3.287 20 10 DGCDRN COc1ccc(N(CC2CC2)C(=O)/C=C(/C)c2cnccn2)cc1 ZINC000836840170 630172418 /nfs/dbraw/zinc/17/24/18/630172418.db2.gz IFBGSDSWPFECQH-KAMYIIQDSA-N 0 0 323.396 3.332 20 10 DGCDRN CCC(C)(C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000102636387 630175583 /nfs/dbraw/zinc/17/55/83/630175583.db2.gz MNSSQDVOVQJEPR-UHFFFAOYSA-N 0 0 306.475 3.292 20 10 DGCDRN Cc1ccc(C(=O)N2CC3(CCCC3)[C@@H]2C(C)C)c(O)c1O ZINC000837192035 630225322 /nfs/dbraw/zinc/22/53/22/630225322.db2.gz QGYLDWMUIYYHSK-INIZCTEOSA-N 0 0 303.402 3.447 20 10 DGCDRN C[C@@H](CCc1cccc(F)c1)C(=O)NCc1ccc(N)cc1 ZINC000837303041 630237220 /nfs/dbraw/zinc/23/72/20/630237220.db2.gz RCJMQSBBOPGBTR-ZDUSSCGKSA-N 0 0 300.377 3.293 20 10 DGCDRN Cc1ccc(C(=O)CCC(=O)NCc2ccc(N)cc2)cc1C ZINC000837303589 630237299 /nfs/dbraw/zinc/23/72/99/630237299.db2.gz ZAIBMOZESVZYCO-UHFFFAOYSA-N 0 0 310.397 3.165 20 10 DGCDRN CC[C@@H](CC(F)F)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000837377964 630250013 /nfs/dbraw/zinc/25/00/13/630250013.db2.gz OGTKCGIBFBEMNF-NSHDSACASA-N 0 0 302.340 3.189 20 10 DGCDRN C[C@@H](CC(F)(F)F)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000837377055 630250156 /nfs/dbraw/zinc/25/01/56/630250156.db2.gz HTZLRUWKPVDDQX-NSHDSACASA-N 0 0 314.351 3.274 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)CC(F)(F)F)c1 ZINC000837486350 630265530 /nfs/dbraw/zinc/26/55/30/630265530.db2.gz XHFFDQGWDAQOJT-BDAKNGLRSA-N 0 0 305.296 3.167 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CC(C(C)(C)C)C1 ZINC000837519679 630269859 /nfs/dbraw/zinc/26/98/59/630269859.db2.gz CQKHFHNKUFUFIS-LMWSTFAQSA-N 0 0 305.418 3.217 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1CCCCC1(F)F ZINC000837586923 630280355 /nfs/dbraw/zinc/28/03/55/630280355.db2.gz HLLGGHHFQBFQCP-HOSRBBHYSA-N 0 0 312.312 3.480 20 10 DGCDRN CC(C)(C)c1cc(COC(=O)/C=C\c2ccc(O)c(O)c2)no1 ZINC000837588433 630280847 /nfs/dbraw/zinc/28/08/47/630280847.db2.gz RKWNQAQZIGUDNU-ALCCZGGFSA-N 0 0 317.341 3.140 20 10 DGCDRN CC(C)(C)C1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000837625237 630288830 /nfs/dbraw/zinc/28/88/30/630288830.db2.gz KUNRCQIVQSDGIV-UHFFFAOYSA-N 0 0 315.461 3.474 20 10 DGCDRN CNC(=O)c1cnc(/C=C\c2ccc(N(C)C)cc2C)s1 ZINC000840718483 630351727 /nfs/dbraw/zinc/35/17/27/630351727.db2.gz YUGKRAWBCZEEOI-VURMDHGXSA-N 0 0 301.415 3.048 20 10 DGCDRN Cc1cc(O)c(CNc2cnc3c(c2)COCC3)c(Cl)c1 ZINC000840878485 630370523 /nfs/dbraw/zinc/37/05/23/630370523.db2.gz DQENULSRWUQZLR-UHFFFAOYSA-N 0 0 304.777 3.434 20 10 DGCDRN Cc1cc(O)c(CNc2nnc([C@H]3CCCO3)o2)c(Cl)c1 ZINC000840879596 630371006 /nfs/dbraw/zinc/37/10/06/630371006.db2.gz QKRRTKBPELNHLB-GFCCVEGCSA-N 0 0 309.753 3.201 20 10 DGCDRN Cc1noc([C@H]2CCCCN2Cc2ccc(N(C)C)cc2C)n1 ZINC000840946554 630381868 /nfs/dbraw/zinc/38/18/68/630381868.db2.gz QZGBSFSQPLSQBW-QGZVFWFLSA-N 0 0 314.433 3.480 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC(c2ccncn2)CC1 ZINC000840952864 630383514 /nfs/dbraw/zinc/38/35/14/630383514.db2.gz AGKXCABDKSXQDQ-UHFFFAOYSA-N 0 0 303.793 3.215 20 10 DGCDRN Cc1cc(O)c(CNCc2nnc(C(C)(C)C)[nH]2)c(Cl)c1 ZINC000840953524 630383923 /nfs/dbraw/zinc/38/39/23/630383923.db2.gz UMBKAAVTLXCBHC-UHFFFAOYSA-N 0 0 308.813 3.059 20 10 DGCDRN CC[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])CC(F)(F)F ZINC000840960612 630386260 /nfs/dbraw/zinc/38/62/60/630386260.db2.gz PZSYHFXPCHBUSI-VIFPVBQESA-N 0 0 306.284 3.369 20 10 DGCDRN O=C([O-])[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000840997650 630393314 /nfs/dbraw/zinc/39/33/14/630393314.db2.gz XEFMKQCQSNSGQP-INIZCTEOSA-N 0 0 311.381 3.356 20 10 DGCDRN CCOc1c(CNc2ccc(N)cc2)c(C)nn1CC(C)C ZINC000841040342 630400715 /nfs/dbraw/zinc/40/07/15/630400715.db2.gz PHSJGYIOZIQYNR-UHFFFAOYSA-N 0 0 302.422 3.441 20 10 DGCDRN CC(C)Oc1cccc(NC(=O)NCCc2ccc(N)cc2)c1 ZINC000841257390 630420542 /nfs/dbraw/zinc/42/05/42/630420542.db2.gz PINITFHQPYRYTI-UHFFFAOYSA-N 0 0 313.401 3.420 20 10 DGCDRN CC(C)[C@H](NC(=O)Nc1ccc(N)cc1)[C@H](O)c1ccccc1 ZINC000841297552 630424468 /nfs/dbraw/zinc/42/44/68/630424468.db2.gz SWHUWXCHXDGACP-DLBZAZTESA-N 0 0 313.401 3.149 20 10 DGCDRN CN(C[C@@H]1OCCc2ccccc21)C(=O)Nc1ccc(N)cc1 ZINC000841298940 630424482 /nfs/dbraw/zinc/42/44/82/630424482.db2.gz VBJYOYZSPVHLRN-KRWDZBQOSA-N 0 0 311.385 3.047 20 10 DGCDRN CCO[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(N)cc2)C12CCC2 ZINC000841298171 630424484 /nfs/dbraw/zinc/42/44/84/630424484.db2.gz MZMJLFLQKAETNH-LSDHHAIUSA-N 0 0 303.406 3.080 20 10 DGCDRN CC(C)(CO)[C@H](NC(=O)Nc1ccc(N)cc1)c1cccs1 ZINC000841298331 630424532 /nfs/dbraw/zinc/42/45/32/630424532.db2.gz AJIOVTMOKFJUTA-CQSZACIVSA-N 0 0 319.430 3.212 20 10 DGCDRN Cc1ccc(N2CCC[C@H](NC(=O)Nc3ccc(N)cc3)C2)cc1 ZINC000841298562 630424603 /nfs/dbraw/zinc/42/46/03/630424603.db2.gz BKAYMLMOSJJKHQ-KRWDZBQOSA-N 0 0 324.428 3.368 20 10 DGCDRN CCCCO[C@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)C1(C)C ZINC000841299527 630424989 /nfs/dbraw/zinc/42/49/89/630424989.db2.gz IJDUNLVHJGDMMC-CABCVRRESA-N 0 0 305.422 3.374 20 10 DGCDRN COc1cc(C)ccc1/C=C1\SC(=S)N(C2CC2)C1=O ZINC000841497354 630442206 /nfs/dbraw/zinc/44/22/06/630442206.db2.gz WGRRBYFLXDMXLK-JYRVWZFOSA-N 0 0 305.424 3.367 20 10 DGCDRN Cc1nocc1/C=C1/SC(=S)N(C(C2CC2)C2CC2)C1=O ZINC000841498747 630442219 /nfs/dbraw/zinc/44/22/19/630442219.db2.gz UPIOHHYYTQAGAQ-WUXMJOGZSA-N 0 0 320.439 3.373 20 10 DGCDRN C[C@H]1[C@@H](C)N(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H]1C ZINC000841580832 630446141 /nfs/dbraw/zinc/44/61/41/630446141.db2.gz LRUYVVRLWKMQER-BZUAXINKSA-N 0 0 313.445 3.249 20 10 DGCDRN C[C@@H](NCc1nnc2n1CCCCC2)c1ccc(Cl)cc1O ZINC000841743837 630461113 /nfs/dbraw/zinc/46/11/13/630461113.db2.gz KKAHPJCUSYNBAP-LLVKDONJSA-N 0 0 320.824 3.214 20 10 DGCDRN C[C@H]([NH2+][C@@H](CO)CC1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000841759915 630462774 /nfs/dbraw/zinc/46/27/74/630462774.db2.gz BBPDRZFGIWEPEF-GXTWGEPZSA-N 0 0 322.405 3.282 20 10 DGCDRN COc1ccc(C[NH2+][C@H](CC(=O)[O-])c2ccsc2)cc1C ZINC000841795423 630465778 /nfs/dbraw/zinc/46/57/78/630465778.db2.gz QTOAKCYIKMWRKK-CQSZACIVSA-N 0 0 305.399 3.371 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@H](CC2CC2)C(=O)[O-])cc1F ZINC000841810621 630467115 /nfs/dbraw/zinc/46/71/15/630467115.db2.gz BYTVDZRMOBDDGD-OAHLLOKOSA-N 0 0 308.397 3.015 20 10 DGCDRN CCCN(CCC)c1ccc(C[NH2+][C@H]2C=C[C@H](C(=O)[O-])C2)cc1 ZINC000841814155 630467532 /nfs/dbraw/zinc/46/75/32/630467532.db2.gz QSVIFSHVWBGDCG-IRXDYDNUSA-N 0 0 316.445 3.432 20 10 DGCDRN C[C@@H](NC(=O)NCCc1ccc(N)cc1)[C@@H](C)c1ccccc1 ZINC000841849504 630470900 /nfs/dbraw/zinc/47/09/00/630470900.db2.gz YGKOANMQMJPZSP-HUUCEWRRSA-N 0 0 311.429 3.303 20 10 DGCDRN CCS[C@H]1CCC[C@H](NC(=O)NCCc2ccc(N)cc2)C1 ZINC000841850598 630471517 /nfs/dbraw/zinc/47/15/17/630471517.db2.gz XQJNCCVDXDHZIB-HOTGVXAUSA-N 0 0 321.490 3.175 20 10 DGCDRN CCS[C@@H]1CCC[C@@H](NC(=O)NCCc2ccc(N)cc2)C1 ZINC000841850599 630471691 /nfs/dbraw/zinc/47/16/91/630471691.db2.gz XQJNCCVDXDHZIB-HZPDHXFCSA-N 0 0 321.490 3.175 20 10 DGCDRN Cc1ccc2c(c1)[C@@H](NC(=O)NCCc1ccc(N)cc1)[C@H](C)C2 ZINC000841871477 630472648 /nfs/dbraw/zinc/47/26/48/630472648.db2.gz CLJCDVOKLPTQPO-KUHUBIRLSA-N 0 0 323.440 3.352 20 10 DGCDRN C[C@@H](CC1CCCCC1)NC(=O)NCCc1ccc(N)cc1 ZINC000841887641 630473042 /nfs/dbraw/zinc/47/30/42/630473042.db2.gz UOVQKAOWRGZDMA-AWEZNQCLSA-N 0 0 303.450 3.469 20 10 DGCDRN CO[C@H](C[NH2+]Cc1cccc(Br)c1[O-])CC(C)C ZINC000841888991 630473640 /nfs/dbraw/zinc/47/36/40/630473640.db2.gz WEJHPQAKOGPEPX-LBPRGKRZSA-N 0 0 316.239 3.305 20 10 DGCDRN Cc1ccc2c(c1)[C@H](NC(=O)NCCc1ccc(N)cc1)CCC2 ZINC000841906915 630474691 /nfs/dbraw/zinc/47/46/91/630474691.db2.gz JFDUDDSYSOPRET-LJQANCHMSA-N 0 0 323.440 3.497 20 10 DGCDRN CC(C)[C@H]1N(C(=O)NCCc2ccc(N)cc2)CC12CCC2 ZINC000841955437 630476786 /nfs/dbraw/zinc/47/67/86/630476786.db2.gz BZNWCCQJVTUEJR-MRXNPFEDSA-N 0 0 301.434 3.031 20 10 DGCDRN CC(C)(C)C[C@@H]1CCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841957207 630476906 /nfs/dbraw/zinc/47/69/06/630476906.db2.gz PJVJDCUUUPJFKI-INIZCTEOSA-N 0 0 303.450 3.422 20 10 DGCDRN CCN(CCc1cccs1)C(=O)NCCc1ccc(N)cc1 ZINC000841956119 630476990 /nfs/dbraw/zinc/47/69/90/630476990.db2.gz VWSSDIBJTRCRNX-UHFFFAOYSA-N 0 0 317.458 3.147 20 10 DGCDRN CC[C@H](COC(=O)c1sc2nc(C)cc(C)c2c1N)OC ZINC000842061263 630485436 /nfs/dbraw/zinc/48/54/36/630485436.db2.gz ZWLSQYDRROPSLG-SNVBAGLBSA-N 0 0 308.403 3.077 20 10 DGCDRN C[C@H]1[C@@H](C)N(C(=O)NCCCSc2nccs2)C[C@H]1C ZINC000842181599 630503345 /nfs/dbraw/zinc/50/33/45/630503345.db2.gz YUCFOKIOOIPTON-IJLUTSLNSA-N 0 0 313.492 3.311 20 10 DGCDRN CC[C@@H](NC(=O)NCc1cccc(OC)c1O)[C@H]1CC1(C)C ZINC000842190034 630504726 /nfs/dbraw/zinc/50/47/26/630504726.db2.gz KTLOCMBHOSVIGN-CHWSQXEVSA-N 0 0 306.406 3.025 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccnc3ccccc32)c1 ZINC000104900506 630574100 /nfs/dbraw/zinc/57/41/00/630574100.db2.gz MHJLJJRWRPSPCY-LBPRGKRZSA-N 0 0 322.364 3.440 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CCS[C@H]2C)c1 ZINC000842778896 630575365 /nfs/dbraw/zinc/57/53/65/630575365.db2.gz ONDFGJYDJFBRCC-JOYOIKCWSA-N 0 0 316.264 3.447 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)[C@@H]3C[C@@H]3C(C)C)C2)cc1 ZINC000842875088 630588096 /nfs/dbraw/zinc/58/80/96/630588096.db2.gz JXXAATTXJSVKQH-BMGDILEWSA-N 0 0 317.429 3.357 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)/C=C(/C)C3CC3)C2)cc1 ZINC000842877248 630588686 /nfs/dbraw/zinc/58/86/86/630588686.db2.gz BIMSOHDOQNOAIX-QKXCFHHRSA-N 0 0 315.413 3.421 20 10 DGCDRN C[C@@H]1C[C@H](Nc2ccc3c(c2)nnn3C)c2c1c(F)ccc2O ZINC000842900489 630592351 /nfs/dbraw/zinc/59/23/51/630592351.db2.gz IYGYDIGIVMONDH-RNCFNFMXSA-N 0 0 312.348 3.473 20 10 DGCDRN CCO[C@@H]1C[C@@H]([NH2+][C@@H](CC)c2ccc(F)cc2[O-])[C@@H]1SC ZINC000842924857 630594011 /nfs/dbraw/zinc/59/40/11/630594011.db2.gz UNRMCLRHGJXXJV-XNISGKROSA-N 0 0 313.438 3.481 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000843044488 630607586 /nfs/dbraw/zinc/60/75/86/630607586.db2.gz DGPASMZFXSLUAS-XHDPSFHLSA-N 0 0 312.816 3.149 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843044485 630607768 /nfs/dbraw/zinc/60/77/68/630607768.db2.gz DGPASMZFXSLUAS-ABAIWWIYSA-N 0 0 312.816 3.149 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000843047971 630608510 /nfs/dbraw/zinc/60/85/10/630608510.db2.gz FSQDJFUDZIFOBW-HUUCEWRRSA-N 0 0 312.816 3.291 20 10 DGCDRN Nc1ccc(Cc2noc(Cc3ccc4c(c3)CCC4)n2)cc1 ZINC000843158954 630623008 /nfs/dbraw/zinc/62/30/08/630623008.db2.gz JGQAFKZYURFREF-UHFFFAOYSA-N 0 0 305.381 3.322 20 10 DGCDRN COCCC1(c2nc(Cc3ccc(N)cc3)no2)CCCC1 ZINC000843158409 630623111 /nfs/dbraw/zinc/62/31/11/630623111.db2.gz CKDJGVIYQZLRDD-UHFFFAOYSA-N 0 0 301.390 3.091 20 10 DGCDRN C[C@]1(c2nc(Cc3ccc(N)cc3)no2)CCc2ccccc21 ZINC000843159714 630623382 /nfs/dbraw/zinc/62/33/82/630623382.db2.gz AHDUIPTZCGBKOJ-IBGZPJMESA-N 0 0 305.381 3.495 20 10 DGCDRN CCc1nc(C)c(-c2nc(Cc3ccc(N)cc3)no2)s1 ZINC000843160252 630623605 /nfs/dbraw/zinc/62/36/05/630623605.db2.gz WYLCTRIABJIWPM-UHFFFAOYSA-N 0 0 300.387 3.237 20 10 DGCDRN C[C@H]1C[C@H]1c1noc(-c2csc(Cc3ccc(N)cc3)n2)n1 ZINC000843189734 630630878 /nfs/dbraw/zinc/63/08/78/630630878.db2.gz CBIAYQJNLOERKX-JOYOIKCWSA-N 0 0 312.398 3.490 20 10 DGCDRN CCOc1cccc(C[N@@H+]2C[C@H](C)OC3(CCCC3)C2)c1O ZINC000843435173 630658673 /nfs/dbraw/zinc/65/86/73/630658673.db2.gz QRTKNBHOPSKPOC-AWEZNQCLSA-N 0 0 305.418 3.324 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCc1cc(F)ccc1F ZINC000105285755 630687566 /nfs/dbraw/zinc/68/75/66/630687566.db2.gz RNAJAERPTHEBFO-UHFFFAOYSA-N 0 0 306.312 3.012 20 10 DGCDRN CSc1cccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000843758198 630698267 /nfs/dbraw/zinc/69/82/67/630698267.db2.gz KSJZTGJVOBLNNR-UHFFFAOYSA-N 0 0 315.442 3.142 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CO[C@@H](C)C1 ZINC000844104071 630709393 /nfs/dbraw/zinc/70/93/93/630709393.db2.gz CNAHQYNAVGXZEU-QWHCGFSZSA-N 0 0 304.415 3.063 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)c(C)n1-c1ccccn1 ZINC000844108130 630709733 /nfs/dbraw/zinc/70/97/33/630709733.db2.gz RWUXSRXOZYKUNE-BZUAXINKSA-N 0 0 309.413 3.408 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C\c1cc2cnccc2o1 ZINC000844274631 630715032 /nfs/dbraw/zinc/71/50/32/630715032.db2.gz FGQNMVUUKUCNKJ-ZROIWOOFSA-N 0 0 313.382 3.284 20 10 DGCDRN CCN(Cc1cc2n(n1)CCCC2)Cc1ccc(N(C)C)cc1 ZINC000844272535 630715120 /nfs/dbraw/zinc/71/51/20/630715120.db2.gz JUXXBEFYNHLYSM-UHFFFAOYSA-N 0 0 312.461 3.308 20 10 DGCDRN COc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)c(F)c1 ZINC000844275139 630715364 /nfs/dbraw/zinc/71/53/64/630715364.db2.gz RJULRSWBQGNOKI-ZROIWOOFSA-N 0 0 320.389 3.291 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)C[C@H]2CCCO2)cc1 ZINC000844304247 630717389 /nfs/dbraw/zinc/71/73/89/630717389.db2.gz IITAZYNGTXBTSD-QGZVFWFLSA-N 0 0 304.434 3.060 20 10 DGCDRN COc1ccc(N(C[C@H]2CN(C3CC3)C(=O)O2)C(C)C)cc1F ZINC000844306200 630717519 /nfs/dbraw/zinc/71/75/19/630717519.db2.gz GXPDSSKTRHBUDS-AWEZNQCLSA-N 0 0 322.380 3.032 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCc3ccccc3C2)cc1 ZINC000844307724 630717865 /nfs/dbraw/zinc/71/78/65/630717865.db2.gz SPJGVAPQBJHRLD-SFHVURJKSA-N 0 0 308.425 3.174 20 10 DGCDRN COc1ccc(N(C)CC(=O)N2CCCc3ccccc32)cc1 ZINC000844353508 630720743 /nfs/dbraw/zinc/72/07/43/630720743.db2.gz QKAAGGHNAVLQCP-UHFFFAOYSA-N 0 0 310.397 3.111 20 10 DGCDRN COc1ccc(N(C)CCN(C)Cc2ncc(C(C)C)o2)cc1 ZINC000844400446 630724823 /nfs/dbraw/zinc/72/48/23/630724823.db2.gz BSKHKYBZGJYDFQ-UHFFFAOYSA-N 0 0 317.433 3.375 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)Nc2ccsc2)cc1 ZINC000844556543 630739132 /nfs/dbraw/zinc/73/91/32/630739132.db2.gz JQRBUSIEQJTSIC-UHFFFAOYSA-N 0 0 319.430 3.357 20 10 DGCDRN CCc1noc(C)c1NC(=O)NCc1cc(Cl)ccc1O ZINC000844582685 630741044 /nfs/dbraw/zinc/74/10/44/630741044.db2.gz MFBQLPWXLFTCCL-UHFFFAOYSA-N 0 0 309.753 3.226 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000844780860 630861969 /nfs/dbraw/zinc/86/19/69/630861969.db2.gz LAJDXFDEUJLEBF-MRXNPFEDSA-N 0 0 323.387 3.083 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)C2(C)CCCC2)cc1 ZINC000844853359 630943159 /nfs/dbraw/zinc/94/31/59/630943159.db2.gz WKGIUOSOTSTMIB-UHFFFAOYSA-N 0 0 304.434 3.170 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)c2cccc(C)c2)cc1 ZINC000844851834 630943245 /nfs/dbraw/zinc/94/32/45/630943245.db2.gz IJMVOPPUFHYWKW-UHFFFAOYSA-N 0 0 312.413 3.212 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)c2ccoc2Cl)cc1 ZINC000844854744 630945485 /nfs/dbraw/zinc/94/54/85/630945485.db2.gz DSLIGLFCEOOVDK-UHFFFAOYSA-N 0 0 322.792 3.150 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2C[C@H]2C2CCC2)cc1 ZINC000844857039 630947265 /nfs/dbraw/zinc/94/72/65/630947265.db2.gz OPFNOEXTJIUEPD-ZWKOTPCHSA-N 0 0 316.445 3.026 20 10 DGCDRN C[C@H](CCc1ccco1)NC(=O)NCc1cc(Cl)ccc1O ZINC000844860442 630948216 /nfs/dbraw/zinc/94/82/16/630948216.db2.gz BXLMEKVGSWSMMT-LLVKDONJSA-N 0 0 322.792 3.459 20 10 DGCDRN CCc1ccc([C@H](C)C(=O)NCc2cccc(OC)c2O)cc1 ZINC000105650032 630950600 /nfs/dbraw/zinc/95/06/00/630950600.db2.gz ZWHRXCDJEZPIQA-ZDUSSCGKSA-N 0 0 313.397 3.383 20 10 DGCDRN [O-]c1c(F)cccc1C[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000844912001 630977572 /nfs/dbraw/zinc/97/75/72/630977572.db2.gz QOWNDTYNQCLUTR-OAHLLOKOSA-N 0 0 300.377 3.438 20 10 DGCDRN C[C@H](CNC(=O)NCc1cc(Cl)ccc1O)c1ccncc1 ZINC000845024493 631040941 /nfs/dbraw/zinc/04/09/41/631040941.db2.gz CDRDLYYLZBWWJZ-LLVKDONJSA-N 0 0 319.792 3.044 20 10 DGCDRN Cc1ccncc1[C@H](C)NC(=O)NCc1cc(Cl)ccc1O ZINC000845089778 631071673 /nfs/dbraw/zinc/07/16/73/631071673.db2.gz RAQNGJWZAWHIST-NSHDSACASA-N 0 0 319.792 3.309 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1CCC(F)(F)C1 ZINC000845170155 631112350 /nfs/dbraw/zinc/11/23/50/631112350.db2.gz ONRFCVYZMCAJPE-SECBINFHSA-N 0 0 318.751 3.280 20 10 DGCDRN CCC(CC)(CNC(=O)NCc1cc(Cl)ccc1O)OC ZINC000845216833 631138952 /nfs/dbraw/zinc/13/89/52/631138952.db2.gz QHNWOILOAKVJSA-UHFFFAOYSA-N 0 0 314.813 3.050 20 10 DGCDRN CC(F)(F)CCCNC(=O)NCc1cc(Cl)ccc1O ZINC000845225115 631146539 /nfs/dbraw/zinc/14/65/39/631146539.db2.gz TUFKJXCMELXKIW-UHFFFAOYSA-N 0 0 306.740 3.280 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)NC[C@H]1CCCC1(F)F ZINC000845236399 631152443 /nfs/dbraw/zinc/15/24/43/631152443.db2.gz RCOHPJWGJSENHJ-SNVBAGLBSA-N 0 0 318.751 3.280 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC[C@@H](F)C1 ZINC000845261151 631157087 /nfs/dbraw/zinc/15/70/87/631157087.db2.gz ICKFIYDVQWSEMQ-GOEBONIOSA-N 0 0 321.440 3.136 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCCCCO1 ZINC000845261765 631157524 /nfs/dbraw/zinc/15/75/24/631157524.db2.gz OQVTXKZWKWINBG-HNNXBMFYSA-N 0 0 319.449 3.119 20 10 DGCDRN C[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)CC(F)F ZINC000845274248 631159440 /nfs/dbraw/zinc/15/94/40/631159440.db2.gz GZHKYDOLTMYJOU-MRVPVSSYSA-N 0 0 306.740 3.136 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)C[C@@H](C)n1ccnc1 ZINC000846096578 631209406 /nfs/dbraw/zinc/20/94/06/631209406.db2.gz XJRQUCMLNTTXMQ-OAHLLOKOSA-N 0 0 315.417 3.369 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCC[C@@H]2CC2(Cl)Cl)c1 ZINC000846103479 631209616 /nfs/dbraw/zinc/20/96/16/631209616.db2.gz YUGXRJLCDCABGR-SNVBAGLBSA-N 0 0 319.188 3.364 20 10 DGCDRN COc1cccc([C@@H](C)N[C@@H]2COc3cc(F)cc(F)c32)c1O ZINC000846162067 631213034 /nfs/dbraw/zinc/21/30/34/631213034.db2.gz GHBRTNKMEZBPQD-NOZJJQNGSA-N 0 0 321.323 3.463 20 10 DGCDRN COc1cccc([C@@H](C)Nc2ccc(OC3COC3)cc2)c1O ZINC000846166141 631213121 /nfs/dbraw/zinc/21/31/21/631213121.db2.gz QTXODLOVURWQGB-GFCCVEGCSA-N 0 0 315.369 3.352 20 10 DGCDRN COc1cccc([C@H](C)Nc2cc(C)cc(OCCO)c2)c1O ZINC000846167231 631213265 /nfs/dbraw/zinc/21/32/65/631213265.db2.gz URZCXOGRGWHAHV-ZDUSSCGKSA-N 0 0 317.385 3.253 20 10 DGCDRN Cc1cc(C[N@@H+]2CCCC[C@@H]2CCC(=O)[O-])ccc1N(C)C ZINC000846281073 631219588 /nfs/dbraw/zinc/21/95/88/631219588.db2.gz KEAAJQBFGYPUBW-MRXNPFEDSA-N 0 0 304.434 3.280 20 10 DGCDRN CO[C@@H]1CCC[C@H](CC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846474679 631250401 /nfs/dbraw/zinc/25/04/01/631250401.db2.gz ZCWVYOCRSMVSRV-SMDDNHRTSA-N 0 0 311.809 3.257 20 10 DGCDRN O=C(CCCc1nccs1)NCc1cc(Cl)ccc1O ZINC000846475640 631250575 /nfs/dbraw/zinc/25/05/75/631250575.db2.gz DKHPVZLTINKRSR-UHFFFAOYSA-N 0 0 310.806 3.141 20 10 DGCDRN CC(C)(C)OC(=O)CCC(C)(C)NC(=O)C1=CC(=O)CS1 ZINC000846656069 631280275 /nfs/dbraw/zinc/28/02/75/631280275.db2.gz WWPFRUZSWPECSH-UHFFFAOYSA-N 0 0 313.419 3.084 20 10 DGCDRN COc1ccc(N(C)CCOCc2ccccc2)cc1OC ZINC000846752777 631294978 /nfs/dbraw/zinc/29/49/78/631294978.db2.gz ADHZUMDVMSIWSW-UHFFFAOYSA-N 0 0 301.386 3.357 20 10 DGCDRN COc1ccc2c(c1)CCCN2C(=O)/C(C)=C/c1cccnc1 ZINC000846792064 631307027 /nfs/dbraw/zinc/30/70/27/631307027.db2.gz HXYDTQYSMGRBKN-SDNWHVSQSA-N 0 0 308.381 3.473 20 10 DGCDRN C/C(=C\c1cccnc1)C(=O)N1CCCN(C)c2ccccc21 ZINC000846885043 631340018 /nfs/dbraw/zinc/34/00/18/631340018.db2.gz MMIACPZKLBLLIC-FYWRMAATSA-N 0 0 307.397 3.358 20 10 DGCDRN CN(C[C@H]1CC2(CC2)C(=O)O1)c1ccc(-c2nccs2)cc1 ZINC000846992456 631375782 /nfs/dbraw/zinc/37/57/82/631375782.db2.gz JWZNCGQDCNVWEY-CQSZACIVSA-N 0 0 314.410 3.342 20 10 DGCDRN C/C(=C/c1cccnc1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000847303886 631456832 /nfs/dbraw/zinc/45/68/32/631456832.db2.gz DVJPXEULHGCPLS-QINSGFPZSA-N 0 0 309.413 3.210 20 10 DGCDRN CC(C)c1ccc(S(=O)(=O)Nc2ccc(O)cc2F)cc1 ZINC000005977325 631466782 /nfs/dbraw/zinc/46/67/82/631466782.db2.gz BUZOQFMHMFVEHY-UHFFFAOYSA-N 0 0 309.362 3.456 20 10 DGCDRN CC(C)(C)n1ccc(C(=O)NCCCSc2nccs2)n1 ZINC000847487850 631481045 /nfs/dbraw/zinc/48/10/45/631481045.db2.gz MHGPNLOLKBHIEG-UHFFFAOYSA-N 0 0 324.475 3.007 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccn2c(C)cnc2c1 ZINC000847571907 631492202 /nfs/dbraw/zinc/49/22/02/631492202.db2.gz OCBZLERAEWUOKV-UHFFFAOYSA-N 0 0 323.396 3.401 20 10 DGCDRN COc1ccc2c(c1)[C@H](C(=O)NCc1ccccc1O)CCC2 ZINC000847590160 631494091 /nfs/dbraw/zinc/49/40/91/631494091.db2.gz VMNJUECTEMAJCA-MRXNPFEDSA-N 0 0 311.381 3.137 20 10 DGCDRN Cc1cc(C(=O)Oc2cnn(C(C)C)c2)c(C)n1-c1ccccn1 ZINC000848009183 631594206 /nfs/dbraw/zinc/59/42/06/631594206.db2.gz ZLSHDFXPPKABPE-UHFFFAOYSA-N 0 0 324.384 3.486 20 10 DGCDRN Nc1ccc(CCNC(=O)CCCc2c(F)cccc2F)cc1 ZINC000848395010 631653701 /nfs/dbraw/zinc/65/37/01/631653701.db2.gz PWEOOIHRLMXNGI-UHFFFAOYSA-N 0 0 318.367 3.229 20 10 DGCDRN O=C(Nc1cccc(N2CCOCC2)c1)c1ccc2[nH]ccc2c1 ZINC000107564505 631655937 /nfs/dbraw/zinc/65/59/37/631655937.db2.gz JQKACKWPGOKCGJ-UHFFFAOYSA-N 0 0 321.380 3.257 20 10 DGCDRN CC[C@H]([NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-])[C@H]1CCCCO1 ZINC000848567575 631695856 /nfs/dbraw/zinc/69/58/56/631695856.db2.gz ITLYIKXNYJBQMD-ISTRZQFTSA-N 0 0 321.417 3.177 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCCN2CCCC[C@@H]12)c1cc(F)cc(F)c1[O-] ZINC000848568308 631696970 /nfs/dbraw/zinc/69/69/70/631696970.db2.gz FFVQIIGRHYWGQT-UVBJJODRSA-N 0 0 310.388 3.338 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3[nH]ccc3c2)c1 ZINC000107767637 631727074 /nfs/dbraw/zinc/72/70/74/631727074.db2.gz SBKXTRRXFJZCGU-LLVKDONJSA-N 0 0 310.353 3.373 20 10 DGCDRN Cc1cc(Br)c(O)c(CN2CC3(CC3(F)F)C2)c1 ZINC000848922041 631788513 /nfs/dbraw/zinc/78/85/13/631788513.db2.gz LIMUUWYWWPDITB-UHFFFAOYSA-N 0 0 318.161 3.304 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000107937959 631790172 /nfs/dbraw/zinc/79/01/72/631790172.db2.gz CXTAFYQIGLYEDX-CYBMUJFWSA-N 0 0 306.406 3.046 20 10 DGCDRN Cc1noc([C@@H](C)N(C)C/C=C\c2ccc(N(C)C)cc2)n1 ZINC000848925769 631790963 /nfs/dbraw/zinc/79/09/63/631790963.db2.gz JXURBNKEHPKTGL-FMFIFOJESA-N 0 0 300.406 3.150 20 10 DGCDRN CC1CCN(C(=[NH2+])NCc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000849078421 631828473 /nfs/dbraw/zinc/82/84/73/631828473.db2.gz ZQNOJSNQOYRKOT-UHFFFAOYSA-N 0 0 316.232 3.455 20 10 DGCDRN CCc1noc(C)c1C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000849209005 631856439 /nfs/dbraw/zinc/85/64/39/631856439.db2.gz QWSIHNOYLZEPKA-UHFFFAOYSA-N 0 0 315.417 3.274 20 10 DGCDRN CC[C@@H](C)Oc1cccc(S(=O)(=O)Nc2ccc(O)cc2)c1 ZINC000849305477 631886802 /nfs/dbraw/zinc/88/68/02/631886802.db2.gz NAAWKYRXXCYPLL-GFCCVEGCSA-N 0 0 321.398 3.370 20 10 DGCDRN COc1cc(CNc2ccncc2F)c(O)c(C(C)(C)C)c1 ZINC000849345084 631896964 /nfs/dbraw/zinc/89/69/64/631896964.db2.gz JGXAPLDHYVVKQS-UHFFFAOYSA-N 0 0 304.365 3.266 20 10 DGCDRN CN(C)c1ccc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)cc1 ZINC000849345352 631898678 /nfs/dbraw/zinc/89/86/78/631898678.db2.gz IHLXAIVZGHICMP-SQNIBIBYSA-N 0 0 316.445 3.218 20 10 DGCDRN FC(F)c1ccc(NCc2ccc(N3CCOCC3)cc2)cn1 ZINC000849347326 631899260 /nfs/dbraw/zinc/89/92/60/631899260.db2.gz CVWKWDMQLDRBOG-UHFFFAOYSA-N 0 0 319.355 3.468 20 10 DGCDRN CC[C@@H]([NH2+]CCN(C)OC)c1cc(Cl)cc(Cl)c1[O-] ZINC000850477558 632164201 /nfs/dbraw/zinc/16/42/01/632164201.db2.gz HWVCPFXOBZRJDO-GFCCVEGCSA-N 0 0 307.221 3.233 20 10 DGCDRN C[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccn1 ZINC000850482601 632166094 /nfs/dbraw/zinc/16/60/94/632166094.db2.gz QCFDOMTVMPZLFH-NEPJUHHUSA-N 0 0 301.346 3.150 20 10 DGCDRN CC[C@@H]([NH2+][C@H](COC)C1CCOCC1)c1ccc(F)cc1[O-] ZINC000850494864 632170704 /nfs/dbraw/zinc/17/07/04/632170704.db2.gz YNDVJKJXDWFPRB-HZPDHXFCSA-N 0 0 311.397 3.014 20 10 DGCDRN C[C@H]([NH2+][C@H]1C[C@H](O)c2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850528183 632181534 /nfs/dbraw/zinc/18/15/34/632181534.db2.gz JDORVKOQLNOXDV-QXKQMHMISA-N 0 0 314.341 3.129 20 10 DGCDRN COCc1csc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000850533488 632184199 /nfs/dbraw/zinc/18/41/99/632184199.db2.gz ZTDOBAJJAUXQHK-SNVBAGLBSA-N 0 0 322.386 3.359 20 10 DGCDRN CC[C@@H]([NH2+]Cc1nccc(OC)c1F)c1ccc(F)cc1[O-] ZINC000850536727 632186400 /nfs/dbraw/zinc/18/64/00/632186400.db2.gz MZVHHEXHDIQLEY-GFCCVEGCSA-N 0 0 308.328 3.315 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](CO)CC1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000850545595 632187803 /nfs/dbraw/zinc/18/78/03/632187803.db2.gz QILOCBJKGJJWDP-JQWIXIFHSA-N 0 0 317.351 3.470 20 10 DGCDRN C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)c1cccc(C(F)(F)F)c1[O-] ZINC000850547252 632189093 /nfs/dbraw/zinc/18/90/93/632189093.db2.gz SHMIKZJNZNUJAD-ZWKOPEQDSA-N 0 0 315.335 3.365 20 10 DGCDRN C[C@H](NCc1ncccn1)c1ccc(N2CCCCC2)c(F)c1 ZINC000850551398 632190091 /nfs/dbraw/zinc/19/00/91/632190091.db2.gz HTYGMIRPJUWRKX-AWEZNQCLSA-N 0 0 314.408 3.457 20 10 DGCDRN C[C@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1ccc(F)cc1[O-] ZINC000850566596 632196623 /nfs/dbraw/zinc/19/66/23/632196623.db2.gz OIBBPOMLHOBTAN-JTQLQIEISA-N 0 0 303.324 3.122 20 10 DGCDRN C[C@H](O)[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000850583622 632201945 /nfs/dbraw/zinc/20/19/45/632201945.db2.gz MSGLHRLTGUIBDV-MMPTUQATSA-N 0 0 307.340 3.443 20 10 DGCDRN CSc1cccc(NC(=O)CN(C)Cc2ccccc2O)c1 ZINC000109770190 632316746 /nfs/dbraw/zinc/31/67/46/632316746.db2.gz BWGHSLHJDILTPP-UHFFFAOYSA-N 0 0 316.426 3.185 20 10 DGCDRN CC1(C)CN(C(=O)Cc2ccc(N)cc2)CCc2ccccc21 ZINC000851642295 632465049 /nfs/dbraw/zinc/46/50/49/632465049.db2.gz XTAXWECOFORKKO-UHFFFAOYSA-N 0 0 308.425 3.174 20 10 DGCDRN CC(C)[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1F ZINC000851642035 632465162 /nfs/dbraw/zinc/46/51/62/632465162.db2.gz PGFRKTJSZLLNEW-GOSISDBHSA-N 0 0 300.377 3.464 20 10 DGCDRN Cc1cc(C[N@@H+](C)[C@H]2C[C@@H](C(=O)[O-])C2)ccc1N1CCCCC1 ZINC000851709419 632471887 /nfs/dbraw/zinc/47/18/87/632471887.db2.gz OHWRNUISRAMMTM-CALCHBBNSA-N 0 0 316.445 3.280 20 10 DGCDRN CN(Cc1ncsc1Br)Cc1ccccc1O ZINC000851841364 632506354 /nfs/dbraw/zinc/50/63/54/632506354.db2.gz POZOOOAJHQFZII-UHFFFAOYSA-N 0 0 313.220 3.243 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NCCC(C)(C)F)cc1 ZINC000851988130 632535382 /nfs/dbraw/zinc/53/53/82/632535382.db2.gz UAFDUKOAMGYUJX-UHFFFAOYSA-N 0 0 309.429 3.470 20 10 DGCDRN CO[C@H](CN(C)c1ccc(-c2nccs2)cc1)[C@@H]1CCOC1 ZINC000852165245 632565562 /nfs/dbraw/zinc/56/55/62/632565562.db2.gz AHUUXXRVNYAMGS-GDBMZVCRSA-N 0 0 318.442 3.298 20 10 DGCDRN CCc1nocc1CN1CCCc2cc(OC)cc(OC)c21 ZINC000852171779 632566551 /nfs/dbraw/zinc/56/65/51/632566551.db2.gz AIRRQQRBKKAJJD-UHFFFAOYSA-N 0 0 302.374 3.207 20 10 DGCDRN CN(C[C@H]1COC(C)(C)O1)c1ccc(-c2nccs2)cc1 ZINC000852167089 632566723 /nfs/dbraw/zinc/56/67/23/632566723.db2.gz WLSXMLSDWPFJGI-AWEZNQCLSA-N 0 0 304.415 3.398 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1cscn1 ZINC000852261389 632578205 /nfs/dbraw/zinc/57/82/05/632578205.db2.gz RCFQHZKWAPMMLA-NWDGAFQWSA-N 0 0 318.446 3.331 20 10 DGCDRN Cc1cc(CN2CC[C@H](O)C(F)(F)C2)ccc1N1CCCCC1 ZINC000852414376 632600363 /nfs/dbraw/zinc/60/03/63/632600363.db2.gz OPCRAXNUMGOZQT-KRWDZBQOSA-N 0 0 324.415 3.187 20 10 DGCDRN Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCc1ccccc1O ZINC000852463378 632605760 /nfs/dbraw/zinc/60/57/60/632605760.db2.gz QIBQCXUZRUVNDG-CYBMUJFWSA-N 0 0 316.376 3.270 20 10 DGCDRN Cc1cccc(O[C@@H](C)C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000072748234 660217036 /nfs/dbraw/zinc/21/70/36/660217036.db2.gz YKSDKDWEWISLKG-HNNXBMFYSA-N 0 0 312.413 3.145 20 10 DGCDRN C[C@@H]1CCCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000185494770 660225503 /nfs/dbraw/zinc/22/55/03/660225503.db2.gz AYGDWAYEBJWHTI-MRXNPFEDSA-N 0 0 313.445 3.394 20 10 DGCDRN C[C@@H]1CN(C(=O)/C=C/c2cncc(F)c2)c2cccc(F)c2O1 ZINC000185605386 660232766 /nfs/dbraw/zinc/23/27/66/660232766.db2.gz YOWCZKLZISCYBC-MVIFTORASA-N 0 0 316.307 3.187 20 10 DGCDRN CCc1cnc(NCc2ccc(N3CCOCC3)cc2)s1 ZINC000185963894 660257196 /nfs/dbraw/zinc/25/71/96/660257196.db2.gz ITWAXEIIKHNGJG-UHFFFAOYSA-N 0 0 303.431 3.154 20 10 DGCDRN CCCC[C@@H](CC)CNC(=O)NCc1cccc(OC)c1O ZINC000073416500 660331651 /nfs/dbraw/zinc/33/16/51/660331651.db2.gz ZANCBYOVOAAOAQ-CYBMUJFWSA-N 0 0 308.422 3.416 20 10 DGCDRN C[C@@H](Nc1ccc2c(c1)N(C)C(=O)CO2)c1cc(F)ccc1O ZINC000186326777 660369681 /nfs/dbraw/zinc/36/96/81/660369681.db2.gz YXKNVSCPNQTNGN-SNVBAGLBSA-N 0 0 316.332 3.060 20 10 DGCDRN C[C@@H](Nc1cnn(Cc2ccccn2)c1)c1ccc(F)cc1O ZINC000186390311 660380125 /nfs/dbraw/zinc/38/01/25/660380125.db2.gz JCAACUVAQAVYDJ-GFCCVEGCSA-N 0 0 312.348 3.344 20 10 DGCDRN Cc1ccc2cc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)[nH]c2c1 ZINC000186411246 660383854 /nfs/dbraw/zinc/38/38/54/660383854.db2.gz RUXRQRDYMUYDEE-LBPRGKRZSA-N 0 0 324.380 3.249 20 10 DGCDRN CCc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)s1 ZINC000186419263 660397934 /nfs/dbraw/zinc/39/79/34/660397934.db2.gz ZWBOOTJFQFJZCO-JTQLQIEISA-N 0 0 305.399 3.083 20 10 DGCDRN COc1ccc(N2CCN(C(=O)c3c(C)cccc3C)CC2)cc1 ZINC000073851175 660570832 /nfs/dbraw/zinc/57/08/32/660570832.db2.gz OLEUXKPAPMQPFD-UHFFFAOYSA-N 0 0 324.424 3.274 20 10 DGCDRN CCC[C@H](O)C[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708100874 660918112 /nfs/dbraw/zinc/91/81/12/660918112.db2.gz XAWSPYHEXCNALX-JTQLQIEISA-N 0 0 322.630 3.059 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])[C@@H](C)O ZINC000708173085 660918786 /nfs/dbraw/zinc/91/87/86/660918786.db2.gz VCBRGYZCAXHVKV-RDDDGLTNSA-N 0 0 322.630 3.057 20 10 DGCDRN CCC[C@H]1CN(Cc2ccc(Br)cc2O)CCO1 ZINC000709022282 660923649 /nfs/dbraw/zinc/92/36/49/660923649.db2.gz UWASKAPDQDUIEZ-ZDUSSCGKSA-N 0 0 314.223 3.156 20 10 DGCDRN CCC[C@@H](NC(=O)C1=CC(=O)CS1)[C@H](O)c1ccccc1 ZINC000792683245 660979482 /nfs/dbraw/zinc/97/94/82/660979482.db2.gz RUPHJUZTFCSOLJ-UKRRQHHQSA-N 0 0 305.399 3.086 20 10 DGCDRN C[C@@H]1CC[C@@H](CNC(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000792953082 660996582 /nfs/dbraw/zinc/99/65/82/660996582.db2.gz XJNQXTDQRVPMRU-CHWSQXEVSA-N 0 0 307.413 3.127 20 10 DGCDRN CC[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(OC)cc2O)C1 ZINC000792957063 660997110 /nfs/dbraw/zinc/99/71/10/660997110.db2.gz OPYKFKFGHROAOD-TZMCWYRMSA-N 0 0 306.406 3.169 20 10 DGCDRN COc1ccc(CNC(=O)N[C@H]2[C@H](C)CCC[C@@H]2C)c(O)c1 ZINC000793076920 661003619 /nfs/dbraw/zinc/00/36/19/661003619.db2.gz WNYHIVLZGJDSTE-ATCWAGBWSA-N 0 0 306.406 3.025 20 10 DGCDRN Oc1ccccc1C[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000793607178 661049526 /nfs/dbraw/zinc/04/95/26/661049526.db2.gz PGGFBOIQXJOBDC-UHFFFAOYSA-N 0 0 318.367 3.383 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)COC2CCC(C)CC2)c1 ZINC000793687712 661053249 /nfs/dbraw/zinc/05/32/49/661053249.db2.gz AKUQRDQHEGYHGW-MOKVOYLWSA-N 0 0 321.417 3.173 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]2CCC[C@H](OC)C2)c1 ZINC000793688682 661053367 /nfs/dbraw/zinc/05/33/67/661053367.db2.gz GUFLEXBLPRYZKO-MJBXVCDLSA-N 0 0 321.417 3.173 20 10 DGCDRN Cc1cc(C(=O)NCc2ccc(O)c(O)c2)c(C)cc1Cl ZINC000793688742 661053372 /nfs/dbraw/zinc/05/33/72/661053372.db2.gz HWPLFLCROGYPRO-UHFFFAOYSA-N 0 0 305.761 3.298 20 10 DGCDRN CC[C@@H]1CCCC[C@@H]1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000793797619 661058001 /nfs/dbraw/zinc/05/80/01/661058001.db2.gz WERCBCWQHICXGB-YUELXQCFSA-N 0 0 305.418 3.361 20 10 DGCDRN CN(C)c1ccc(OCc2cccc(Br)n2)cc1 ZINC000793853897 661060578 /nfs/dbraw/zinc/06/05/78/661060578.db2.gz JIRJNCHREJYXAS-UHFFFAOYSA-N 0 0 307.191 3.489 20 10 DGCDRN CSCCONC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000794196453 661071642 /nfs/dbraw/zinc/07/16/42/661071642.db2.gz XLVLMFLNPXAYHH-UHFFFAOYSA-N 0 0 318.442 3.427 20 10 DGCDRN COc1ccc(CNC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)c(O)c1 ZINC000794369567 661081105 /nfs/dbraw/zinc/08/11/05/661081105.db2.gz HTMCQSTXSWNQRK-HOCLYGCPSA-N 0 0 303.402 3.255 20 10 DGCDRN CCc1sc(C(=O)NCc2ccc(OC)cc2O)cc1C ZINC000794371019 661081514 /nfs/dbraw/zinc/08/15/14/661081514.db2.gz VSECFKVUHKAKRD-UHFFFAOYSA-N 0 0 305.399 3.263 20 10 DGCDRN COc1ccc(CNC(=O)[C@H](F)CC2CCCCC2)c(O)c1 ZINC000794373876 661081543 /nfs/dbraw/zinc/08/15/43/661081543.db2.gz NWXHVXSBRPZJSF-OAHLLOKOSA-N 0 0 309.381 3.326 20 10 DGCDRN COc1ccc(CNC(=O)[C@H](C)OC2CCCCCC2)c(O)c1 ZINC000794376938 661081960 /nfs/dbraw/zinc/08/19/60/661081960.db2.gz DDAGHIVRAIWXBB-ZDUSSCGKSA-N 0 0 321.417 3.145 20 10 DGCDRN COc1ccc(CNC(=O)C[C@@H](C)c2cccc(F)c2)c(O)c1 ZINC000794382230 661082142 /nfs/dbraw/zinc/08/21/42/661082142.db2.gz ZYSUYRCQMSFGIN-GFCCVEGCSA-N 0 0 317.360 3.350 20 10 DGCDRN COc1ccc(CNC(=O)[C@@H](SC)c2ccccc2)c(O)c1 ZINC000794382731 661082328 /nfs/dbraw/zinc/08/23/28/661082328.db2.gz GBPOZTRGYRMZNS-INIZCTEOSA-N 0 0 317.410 3.121 20 10 DGCDRN COc1ccc(N(Cc2nnc(C)[nH]2)Cc2ccccc2)cc1 ZINC000794402869 661083020 /nfs/dbraw/zinc/08/30/20/661083020.db2.gz AZRJUUMJQWWQHA-UHFFFAOYSA-N 0 0 308.385 3.329 20 10 DGCDRN COc1ccc(CNC(=O)Nc2cc(C)ccc2F)c(O)c1 ZINC000794759706 661104440 /nfs/dbraw/zinc/10/44/40/661104440.db2.gz GEDAZBJXTFYYQB-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN CN(Cc1ccccc1O)C(=S)NCCCCC(F)(F)F ZINC000794971294 661117692 /nfs/dbraw/zinc/11/76/92/661117692.db2.gz KMFXPJHBZNTNRD-UHFFFAOYSA-N 0 0 320.380 3.431 20 10 DGCDRN COc1ccc(CNC(=S)N[C@H](C)c2cccs2)c(O)c1 ZINC000795032147 661122736 /nfs/dbraw/zinc/12/27/36/661122736.db2.gz QKJYWUYXXBHDGS-SNVBAGLBSA-N 0 0 322.455 3.188 20 10 DGCDRN CCc1ccccc1NC(=S)NCc1ccc(OC)cc1O ZINC000795032032 661122738 /nfs/dbraw/zinc/12/27/38/661122738.db2.gz OVFOYFZDBXGQME-UHFFFAOYSA-N 0 0 316.426 3.450 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(C)(C)C1CCOCC1 ZINC000795106198 661126933 /nfs/dbraw/zinc/12/69/33/661126933.db2.gz VJGOHUKLWGYIBQ-UHFFFAOYSA-N 0 0 318.461 3.130 20 10 DGCDRN CCc1nc(C(=O)NCc2ccc(N3CCCC3)cc2)c(C)o1 ZINC000795202802 661132949 /nfs/dbraw/zinc/13/29/49/661132949.db2.gz BOGMYBXTMCLZDX-UHFFFAOYSA-N 0 0 313.401 3.076 20 10 DGCDRN C[C@@H](NC(=O)C(C)(C)C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000795271119 661137835 /nfs/dbraw/zinc/13/78/35/661137835.db2.gz QYNRDFRCKAXLSD-CQSZACIVSA-N 0 0 318.461 3.383 20 10 DGCDRN COc1ccc(CNc2nc3ccccc3cc2CO)c(O)c1 ZINC000795284862 661138311 /nfs/dbraw/zinc/13/83/11/661138311.db2.gz LQKKZYZPMAIXDA-UHFFFAOYSA-N 0 0 310.353 3.053 20 10 DGCDRN COc1ccc(CNc2ccnc(Cc3ccccc3)n2)c(O)c1 ZINC000795290319 661138723 /nfs/dbraw/zinc/13/87/23/661138723.db2.gz RPIRCPVZHSFHKE-UHFFFAOYSA-N 0 0 321.380 3.394 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OCCC[C@H](C)O ZINC000795465252 661153240 /nfs/dbraw/zinc/15/32/40/661153240.db2.gz PYWGNQNUHCJLQA-ZDUSSCGKSA-N 0 0 307.415 3.473 20 10 DGCDRN COC(=O)CN(Cc1ccccc1)Cc1cc(C)c(C)cc1O ZINC000049979292 655629189 /nfs/dbraw/zinc/62/91/89/655629189.db2.gz VSPHUJACIAYDTD-UHFFFAOYSA-N 0 0 313.397 3.184 20 10 DGCDRN Cc1cc(C(=O)N(C)[C@H](C)CO)c(C)n1-c1cccc(Cl)c1 ZINC000160526729 655651658 /nfs/dbraw/zinc/65/16/58/655651658.db2.gz JYJKUSJPZHHUHI-GFCCVEGCSA-N 0 0 320.820 3.200 20 10 DGCDRN CN(C)c1ccc(CNC(=O)/C=C\SCc2ccco2)cc1 ZINC000255218394 655658637 /nfs/dbraw/zinc/65/86/37/655658637.db2.gz CNVBKHIYKXCPBF-LUAWRHEFSA-N 0 0 316.426 3.409 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)CC2CCSCC2)c1 ZINC000160716162 655672940 /nfs/dbraw/zinc/67/29/40/655672940.db2.gz IYEPEMIDVIQSAM-LLVKDONJSA-N 0 0 309.431 3.111 20 10 DGCDRN O=C1NC(=S)S/C1=C\c1ccc(F)c(C(F)(F)F)c1 ZINC000255325209 655699504 /nfs/dbraw/zinc/69/95/04/655699504.db2.gz FUJSRQOWBIGASB-YWEYNIOJSA-N 0 0 307.293 3.333 20 10 DGCDRN Cc1cccc(CNC(=O)COc2ccc(N3CCCC3)cc2)c1 ZINC000178196773 655720775 /nfs/dbraw/zinc/72/07/75/655720775.db2.gz KDPFXSFPBBHWAW-UHFFFAOYSA-N 0 0 324.424 3.290 20 10 DGCDRN Cc1cc(C(=O)NCc2cncn2C)c(C)n1-c1cccc(C)c1 ZINC000291221743 655746192 /nfs/dbraw/zinc/74/61/92/655746192.db2.gz MXBHPTFCDVGBKW-UHFFFAOYSA-N 0 0 322.412 3.066 20 10 DGCDRN COc1c([O-])c(C[NH2+]C[C@@H]2CCC[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000795999124 661184307 /nfs/dbraw/zinc/18/43/07/661184307.db2.gz HAFJZVBPOQZKRJ-XQQFMLRXSA-N 0 0 322.405 3.471 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@@]1(C)CCOc2ccccc21 ZINC000934705408 655796120 /nfs/dbraw/zinc/79/61/20/655796120.db2.gz ZXXMBJJLPDIRMH-IBGZPJMESA-N 0 0 311.381 3.091 20 10 DGCDRN Cc1cc(F)cc(C(=O)N(C)Cc2ccccc2O)c1[N+](=O)[O-] ZINC000176772041 655806983 /nfs/dbraw/zinc/80/69/83/655806983.db2.gz LFCLMVHSJMWCEI-UHFFFAOYSA-N 0 0 318.304 3.020 20 10 DGCDRN CC[C@@H](C)N(C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000065698390 655864053 /nfs/dbraw/zinc/86/40/53/655864053.db2.gz QHDNKFXIMRQOEX-HUUCEWRRSA-N 0 0 319.449 3.024 20 10 DGCDRN CN1CCN(C(=O)/C=C\c2cccnc2)c2cc(Cl)ccc21 ZINC000255697111 655890323 /nfs/dbraw/zinc/89/03/23/655890323.db2.gz KHOVHTCTNVFPOY-DAXSKMNVSA-N 0 0 313.788 3.231 20 10 DGCDRN COc1ccc(N(C)Cc2nnc(-c3ccco3)o2)cc1F ZINC000177070250 655893800 /nfs/dbraw/zinc/89/38/00/655893800.db2.gz HHKNURADONMCFZ-UHFFFAOYSA-N 0 0 303.293 3.114 20 10 DGCDRN CCC1(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)CCC1 ZINC000177091056 655906224 /nfs/dbraw/zinc/90/62/24/655906224.db2.gz KOVRKWGSHMACIX-UHFFFAOYSA-N 0 0 316.445 3.361 20 10 DGCDRN C[C@@H]1CCCN(C(=O)NCCCSc2nccs2)[C@@H]1C ZINC000177853136 655948527 /nfs/dbraw/zinc/94/85/27/655948527.db2.gz FNMRQOJWFADWLZ-VXGBXAGGSA-N 0 0 313.492 3.455 20 10 DGCDRN O=C(CN1CCCc2cc(OC(F)F)ccc21)NC1CCCC1 ZINC000055026206 655957476 /nfs/dbraw/zinc/95/74/76/655957476.db2.gz SGVWDLPWFYEPCS-UHFFFAOYSA-N 0 0 324.371 3.099 20 10 DGCDRN C[C@H]1C[C@H](C)CN(C(=O)COc2ccc(N3CCCC3)cc2)C1 ZINC000178194500 655959325 /nfs/dbraw/zinc/95/93/25/655959325.db2.gz BJCYHLKVKVCCON-HOTGVXAUSA-N 0 0 316.445 3.170 20 10 DGCDRN O=C(/C=C\c1cncc(F)c1)N1CCc2c1cccc2Cl ZINC000255899583 655963479 /nfs/dbraw/zinc/96/34/79/655963479.db2.gz JOSKQRXHGPVSEK-PLNGDYQASA-N 0 0 302.736 3.477 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176311730 655965715 /nfs/dbraw/zinc/96/57/15/655965715.db2.gz DSXCRZSCXLEJEK-UHFFFAOYSA-N 0 0 320.732 3.226 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]C[C@@H]1CCCS1 ZINC000715789291 661214423 /nfs/dbraw/zinc/21/44/23/661214423.db2.gz OOEARNSOXMWXLM-JTQLQIEISA-N 0 0 320.227 3.279 20 10 DGCDRN O=S(=O)(c1ccccc1NCc1ccccc1O)C(F)F ZINC000037086445 661214453 /nfs/dbraw/zinc/21/44/53/661214453.db2.gz AFKAOLSTDSOEMW-UHFFFAOYSA-N 0 0 313.325 3.001 20 10 DGCDRN CC[C@H](C)N(C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000122690345 656078776 /nfs/dbraw/zinc/07/87/76/656078776.db2.gz OTEPGUPAUZQPDV-AWEZNQCLSA-N 0 0 321.490 3.180 20 10 DGCDRN CC[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000180894592 656095704 /nfs/dbraw/zinc/09/57/04/656095704.db2.gz BKJMGGLCTQJNSB-GDXASINISA-N 0 0 311.381 3.421 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCCCCCO)cc1 ZINC000182254591 656104616 /nfs/dbraw/zinc/10/46/16/656104616.db2.gz OLWYYLMOOWWPKD-UHFFFAOYSA-N 0 0 314.429 3.377 20 10 DGCDRN O=C(/C=C/Sc1ccccc1)NCc1ccc(O)c(O)c1 ZINC000182512611 656106425 /nfs/dbraw/zinc/10/64/25/656106425.db2.gz ZDWPNCVQSBYSPX-CMDGGOBGSA-N 0 0 301.367 3.020 20 10 DGCDRN COc1ccc(N(CCCCCNC(C)=O)CC2CC2)cc1 ZINC000930643592 656111902 /nfs/dbraw/zinc/11/19/02/656111902.db2.gz WOIGDCGLCOFLDL-UHFFFAOYSA-N 0 0 304.434 3.218 20 10 DGCDRN COc1ccc(OCC[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000184903605 656122149 /nfs/dbraw/zinc/12/21/49/656122149.db2.gz RGSIVJOGINHYFX-LBPRGKRZSA-N 0 0 305.349 3.270 20 10 DGCDRN Oc1ccc(Br)cc1C[NH2+]CCC1CCOCC1 ZINC000310641068 656154181 /nfs/dbraw/zinc/15/41/81/656154181.db2.gz TWGSYXMPGYGPCG-UHFFFAOYSA-N 0 0 314.223 3.061 20 10 DGCDRN Cc1cc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)ccc1F ZINC000190961534 656164954 /nfs/dbraw/zinc/16/49/54/656164954.db2.gz XMFIDKQDKMKKHU-NSHDSACASA-N 0 0 318.348 3.298 20 10 DGCDRN C[C@H](NC(=O)Cc1ccc(O)c(F)c1)c1ccc(N(C)C)cc1 ZINC000828861887 661232974 /nfs/dbraw/zinc/23/29/74/661232974.db2.gz RGPTYEVCQOGXGN-LBPRGKRZSA-N 0 0 316.376 3.017 20 10 DGCDRN CSCCc1ccc(NC(=O)c2cccc(O)c2O)cc1 ZINC000193013840 656183999 /nfs/dbraw/zinc/18/39/99/656183999.db2.gz KOULWFDRABSPSX-UHFFFAOYSA-N 0 0 303.383 3.256 20 10 DGCDRN COCc1ccc(NCc2cc(OC)c(OC)cc2O)cc1 ZINC000195102040 656209286 /nfs/dbraw/zinc/20/92/86/656209286.db2.gz OSXPZSIFOJQBQC-UHFFFAOYSA-N 0 0 303.358 3.168 20 10 DGCDRN C[C@H](SCc1ccccc1)C(=O)NCc1ccc(O)c(O)c1 ZINC000159124739 656212450 /nfs/dbraw/zinc/21/24/50/656212450.db2.gz SJPJWTGKDMSTAI-LBPRGKRZSA-N 0 0 317.410 3.036 20 10 DGCDRN C[C@@H]1[C@@H](C)CCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178562497 656847516 /nfs/dbraw/zinc/84/75/16/656847516.db2.gz CWYZXHYYTOIFNT-LSDHHAIUSA-N 0 0 301.434 3.227 20 10 DGCDRN CC[C@@H]1CN(Cc2cc(OC)cc(C(C)(C)C)c2O)CCO1 ZINC000178849181 657083499 /nfs/dbraw/zinc/08/34/99/657083499.db2.gz ISNDMQXQPPFCDA-CQSZACIVSA-N 0 0 307.434 3.309 20 10 DGCDRN CC(=O)c1ccccc1OCCN(C)c1ccc2c(c1)OCO2 ZINC000178881180 657095004 /nfs/dbraw/zinc/09/50/04/657095004.db2.gz SLTLQBINFXSMJV-UHFFFAOYSA-N 0 0 313.353 3.133 20 10 DGCDRN COCCOc1cccc(NCc2cc(OC)ccc2O)c1 ZINC000237198949 657378708 /nfs/dbraw/zinc/37/87/08/657378708.db2.gz VOWZFKNVGZXALN-UHFFFAOYSA-N 0 0 303.358 3.038 20 10 DGCDRN Cc1noc(CN2CCCc3cc(OC(F)(F)F)ccc32)n1 ZINC000127016865 657479169 /nfs/dbraw/zinc/47/91/69/657479169.db2.gz XMKJRLHGYBPNDH-UHFFFAOYSA-N 0 0 313.279 3.229 20 10 DGCDRN C[C@@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)c1ccc(F)cc1[O-] ZINC000320568448 657599792 /nfs/dbraw/zinc/59/97/92/657599792.db2.gz PPNKHFYNGVKUIH-GFCCVEGCSA-N 0 0 322.424 3.219 20 10 DGCDRN CCNC(=O)c1ccc(NCc2cccc(OC)c2O)c(C)c1 ZINC000321308529 658147047 /nfs/dbraw/zinc/14/70/47/658147047.db2.gz OCPNLDSXNYBOJH-UHFFFAOYSA-N 0 0 314.385 3.071 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000067731827 658395318 /nfs/dbraw/zinc/39/53/18/658395318.db2.gz LTDJXKRQGQMDIB-CVEARBPZSA-N 0 0 314.360 3.229 20 10 DGCDRN CC[C@@](C)(C[NH2+]Cc1cccc(Br)c1[O-])OC ZINC000322922269 658593612 /nfs/dbraw/zinc/59/36/12/658593612.db2.gz LIXDITUFVJJJBF-ZDUSSCGKSA-N 0 0 302.212 3.059 20 10 DGCDRN Cc1ccc(OCCC(=O)N(C)Cc2ccccc2O)c(C)c1 ZINC000119986825 658725393 /nfs/dbraw/zinc/72/53/93/658725393.db2.gz UNOGWEINURYHSE-UHFFFAOYSA-N 0 0 313.397 3.437 20 10 DGCDRN COc1ccc(NCc2cccc(Br)c2O)cn1 ZINC000042411494 658772320 /nfs/dbraw/zinc/77/23/20/658772320.db2.gz OQWZKQXJCOAVLT-UHFFFAOYSA-N 0 0 309.163 3.170 20 10 DGCDRN C[C@@H]1CCCC[C@H]1N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000031730301 658844681 /nfs/dbraw/zinc/84/46/81/658844681.db2.gz DNELWIIQFSTEQI-RHSMWYFYSA-N 0 0 303.450 3.473 20 10 DGCDRN C[C@H]1CCCC[C@@H]1N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000031730298 658844845 /nfs/dbraw/zinc/84/48/45/658844845.db2.gz DNELWIIQFSTEQI-YOEHRIQHSA-N 0 0 303.450 3.473 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H](C)OC[C@@H]2C)cc1 ZINC000045449237 658983768 /nfs/dbraw/zinc/98/37/68/658983768.db2.gz ZWCHIAWWUJMEGK-HOTGVXAUSA-N 0 0 312.413 3.344 20 10 DGCDRN CC[C@H](Nc1ccc(N2CCOCC2)cn1)c1ccccc1O ZINC000157132335 658990890 /nfs/dbraw/zinc/99/08/90/658990890.db2.gz BWCUMFJKYXLBMI-INIZCTEOSA-N 0 0 313.401 3.187 20 10 DGCDRN C[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000057660744 659022422 /nfs/dbraw/zinc/02/24/22/659022422.db2.gz OALZIIDHFURDHH-CQSZACIVSA-N 0 0 301.434 3.011 20 10 DGCDRN Cc1cc(C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccc(F)cc1 ZINC000046467448 659123315 /nfs/dbraw/zinc/12/33/15/659123315.db2.gz CDAJXOLEHSQAEU-MRXNPFEDSA-N 0 0 316.376 3.142 20 10 DGCDRN CSCC[C@@H](C)N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000076781349 659210381 /nfs/dbraw/zinc/21/03/81/659210381.db2.gz ZQAVYAZKROLNMX-CYBMUJFWSA-N 0 0 309.479 3.036 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OCC1(C)COC1 ZINC000170729904 659231323 /nfs/dbraw/zinc/23/13/23/659231323.db2.gz QPTDGAKSKSIEEW-UHFFFAOYSA-N 0 0 305.399 3.349 20 10 DGCDRN CC(C)CCN(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000172704975 659350981 /nfs/dbraw/zinc/35/09/81/659350981.db2.gz SMOQWSREXDKRFG-UHFFFAOYSA-N 0 0 301.434 3.250 20 10 DGCDRN C[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)c1cccc(F)c1 ZINC000172910590 659362705 /nfs/dbraw/zinc/36/27/05/659362705.db2.gz ZVRLLPHKRGCTNY-LBPRGKRZSA-N 0 0 318.367 3.451 20 10 DGCDRN CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)N1CCC(C)CC1 ZINC000174373019 659429510 /nfs/dbraw/zinc/42/95/10/659429510.db2.gz OJUVKWYGHIBPDQ-MRXNPFEDSA-N 0 0 318.461 3.251 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCC3(CCCC3)C2)cc1F ZINC000174442804 659435586 /nfs/dbraw/zinc/43/55/86/659435586.db2.gz NRNKTFLQTNBVAI-UHFFFAOYSA-N 0 0 319.424 3.367 20 10 DGCDRN Cc1cc(C(=O)N(C)CC(C)(C)O)c(C)n1-c1cccc(C)c1 ZINC000174521737 659437600 /nfs/dbraw/zinc/43/76/00/659437600.db2.gz ZJXGFIGLIUZEEZ-UHFFFAOYSA-N 0 0 314.429 3.245 20 10 DGCDRN COC(C)(C)C[C@@H](C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000174554722 659439142 /nfs/dbraw/zinc/43/91/42/659439142.db2.gz QQRQSXKXCGBDHX-SNVBAGLBSA-N 0 0 316.239 3.448 20 10 DGCDRN COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000179892575 659944974 /nfs/dbraw/zinc/94/49/74/659944974.db2.gz XAWOFLQSFXIKTF-NSHDSACASA-N 0 0 318.200 3.227 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2cnn(C)c2C)cc1 ZINC000179908723 659946230 /nfs/dbraw/zinc/94/62/30/659946230.db2.gz RUWFINAXNFPVHG-UHFFFAOYSA-N 0 0 322.412 3.066 20 10 DGCDRN COc1cccc(CNC(=O)CCc2ccccc2Cl)c1O ZINC000068488927 659954472 /nfs/dbraw/zinc/95/44/72/659954472.db2.gz ADTNFLDRPJRAPJ-UHFFFAOYSA-N 0 0 319.788 3.303 20 10 DGCDRN COc1cccc(CNC(=O)c2cnc(C(C)(C)C)s2)c1O ZINC000068489393 659954607 /nfs/dbraw/zinc/95/46/07/659954607.db2.gz WMBWVEZWPGLCJM-UHFFFAOYSA-N 0 0 320.414 3.085 20 10 DGCDRN C[C@@H](CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C1CC1 ZINC000068513639 659955640 /nfs/dbraw/zinc/95/56/40/659955640.db2.gz QICPPHGUFZENJQ-GJZGRUSLSA-N 0 0 316.445 3.137 20 10 DGCDRN Nc1ccc(CC(=O)N(Cc2ccccc2)CC(F)F)cc1 ZINC000238109594 659959160 /nfs/dbraw/zinc/95/91/60/659959160.db2.gz LXOGSKHTSRRIKY-UHFFFAOYSA-N 0 0 304.340 3.105 20 10 DGCDRN CSc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000180607731 659965757 /nfs/dbraw/zinc/96/57/57/659965757.db2.gz PIRYVMRWBVOCMU-YCRREMRBSA-N 0 0 301.367 3.472 20 10 DGCDRN COCCN(Cc1ncc(C)s1)c1ccc(OC)c(OC)c1 ZINC000180594607 659965907 /nfs/dbraw/zinc/96/59/07/659965907.db2.gz IGVMYCOJVWWFLR-UHFFFAOYSA-N 0 0 322.430 3.122 20 10 DGCDRN CCOc1cc(C)ccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180951002 659975457 /nfs/dbraw/zinc/97/54/57/659975457.db2.gz ASZMEHQBIQXLHE-RMKNXTFCSA-N 0 0 313.353 3.457 20 10 DGCDRN CC(C)(NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000181039581 659976878 /nfs/dbraw/zinc/97/68/78/659976878.db2.gz YBKXHYCSVSMGEL-ONNFQVAWSA-N 0 0 315.344 3.302 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)Cc2noc(C)n2)cc1 ZINC000181026850 659977514 /nfs/dbraw/zinc/97/75/14/659977514.db2.gz OSLKPKJVXFVGBV-UHFFFAOYSA-N 0 0 324.384 3.058 20 10 DGCDRN CC(C)[C@@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000181086625 659979622 /nfs/dbraw/zinc/97/96/22/659979622.db2.gz JLFMGQYSXCUCJM-PMGBHYCQSA-N 0 0 303.402 3.396 20 10 DGCDRN COc1cccc(CNC(=O)CCc2ccc3[nH]ccc3c2)c1O ZINC000181445644 660000755 /nfs/dbraw/zinc/00/07/55/660000755.db2.gz QDAXCSTVHIAKGS-UHFFFAOYSA-N 0 0 324.380 3.131 20 10 DGCDRN Cc1ccc(O)c(CNc2nnc(Cc3ccccc3F)o2)c1 ZINC000181832206 660022086 /nfs/dbraw/zinc/02/20/86/660022086.db2.gz MCIDFVSFIDJIPM-UHFFFAOYSA-N 0 0 313.332 3.426 20 10 DGCDRN CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](C)OC ZINC000182204388 660038154 /nfs/dbraw/zinc/03/81/54/660038154.db2.gz MDRVJRFIKVDVFA-SNVBAGLBSA-N 0 0 302.212 3.012 20 10 DGCDRN CSc1cccc(N(C)C(=O)c2ccc(C)c(O)c2O)c1 ZINC000182291981 660040872 /nfs/dbraw/zinc/04/08/72/660040872.db2.gz DLGAFURWUUPXNL-UHFFFAOYSA-N 0 0 303.383 3.405 20 10 DGCDRN COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C#N)ccc2OC)c1 ZINC000182357427 660045788 /nfs/dbraw/zinc/04/57/88/660045788.db2.gz NHKDXNFSIQWLGI-GFCCVEGCSA-N 0 0 312.369 3.132 20 10 DGCDRN Cc1ccc(C(=O)Nc2c(F)cccc2NC2CC2)c(O)c1O ZINC000182541943 660061741 /nfs/dbraw/zinc/06/17/41/660061741.db2.gz SWLVVFNPAQAWHU-UHFFFAOYSA-N 0 0 316.332 3.372 20 10 DGCDRN C[C@@H](Cc1cccc(F)c1)C(=O)N(C)Cc1ccccc1O ZINC000070822482 660089142 /nfs/dbraw/zinc/08/91/42/660089142.db2.gz HBKGDVZTVSGYCZ-ZDUSSCGKSA-N 0 0 301.361 3.369 20 10 DGCDRN Cc1ccc([N+](=O)[O-])c(N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000184146645 660156554 /nfs/dbraw/zinc/15/65/54/660156554.db2.gz SLEMKUJGESWQSS-NSHDSACASA-N 0 0 302.330 3.358 20 10 DGCDRN COC[C@@H](CN(C)c1cc(OC)c(OC)c(OC)c1)C(C)C ZINC000929706816 661330873 /nfs/dbraw/zinc/33/08/73/661330873.db2.gz HLHRXPKWIXCPCS-CYBMUJFWSA-N 0 0 311.422 3.067 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NCc2nc(C(C)C)ns2)c1 ZINC000930213354 661378742 /nfs/dbraw/zinc/37/87/42/661378742.db2.gz HVAAQIRKEGWHSR-SNVBAGLBSA-N 0 0 307.419 3.227 20 10 DGCDRN O=C(Nc1ccc2c(c1)C(=O)CCC2)N1Cc2cccc(O)c2C1 ZINC000930271802 661383899 /nfs/dbraw/zinc/38/38/99/661383899.db2.gz OWFZKXRRKCYGSC-UHFFFAOYSA-N 0 0 322.364 3.459 20 10 DGCDRN C[C@@H](NC(=O)CCC1(C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000930745197 661426753 /nfs/dbraw/zinc/42/67/53/661426753.db2.gz SRBIWCSXFIFNNW-OAHLLOKOSA-N 0 0 316.445 3.281 20 10 DGCDRN C[C@@H](C1CC1)n1cc(NC(=O)NCc2c(O)cccc2F)cn1 ZINC000930975269 661442963 /nfs/dbraw/zinc/44/29/63/661442963.db2.gz HARBDDQQZCWCJY-JTQLQIEISA-N 0 0 318.352 3.021 20 10 DGCDRN CC[C@H](C)n1ncc(NC(=O)NCc2c(O)cccc2F)c1C ZINC000931070085 661449494 /nfs/dbraw/zinc/44/94/94/661449494.db2.gz ODDUMXSXXPPOQP-JTQLQIEISA-N 0 0 320.368 3.329 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000931254023 661462209 /nfs/dbraw/zinc/46/22/09/661462209.db2.gz FPJHQXQZNGSRCU-CLFYSBASSA-N 0 0 304.346 3.161 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCO[C@H](C(C)C)C2)c1 ZINC000934940657 661750151 /nfs/dbraw/zinc/75/01/51/661750151.db2.gz SVGHHLGYPGCLOM-AHIWAGSCSA-N 0 0 321.417 3.029 20 10 DGCDRN Cc1nc(NC(=O)NCc2ccc(N(C)C)cc2)sc1C ZINC000043550896 661846081 /nfs/dbraw/zinc/84/60/81/661846081.db2.gz WTJJMWHHLZXYEX-UHFFFAOYSA-N 0 0 304.419 3.148 20 10 DGCDRN CCO[C@@H]1CCC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000155447401 661847057 /nfs/dbraw/zinc/84/70/57/661847057.db2.gz BRJYBWPTCLPVAT-GFCCVEGCSA-N 0 0 314.223 3.156 20 10 DGCDRN Cc1cccc(C(=O)NCc2ccc(N(C)C)cc2C)c1F ZINC000156049518 661857346 /nfs/dbraw/zinc/85/73/46/661857346.db2.gz RYHVNTVTQBJJRT-UHFFFAOYSA-N 0 0 300.377 3.439 20 10 DGCDRN O=C(/C=C/c1cccnc1)N1CCCc2cc(F)c(F)cc21 ZINC000046222896 661868620 /nfs/dbraw/zinc/86/86/20/661868620.db2.gz DUPLJSXWCNEBSB-AATRIKPKSA-N 0 0 300.308 3.352 20 10 DGCDRN O=C(/C=C/c1cccnc1)N1CCOc2c(Cl)cccc21 ZINC000158551025 661874185 /nfs/dbraw/zinc/87/41/85/661874185.db2.gz XKXAEAIIUTZDGI-VOTSOKGWSA-N 0 0 300.745 3.174 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2ccc(Cl)c(F)c2)c1 ZINC000158651449 661876324 /nfs/dbraw/zinc/87/63/24/661876324.db2.gz JKUVLODHBNMVIM-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN CCC(C)(CC)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000158765712 661877698 /nfs/dbraw/zinc/87/76/98/661877698.db2.gz BEFJAHOCOWCMPJ-UHFFFAOYSA-N 0 0 322.424 3.105 20 10 DGCDRN C/C(=C/C(=O)NCc1ccc(O)c(O)c1)c1ccccc1Cl ZINC000158885333 661879620 /nfs/dbraw/zinc/87/96/20/661879620.db2.gz DJRBPFQZYJQJCS-FLIBITNWSA-N 0 0 317.772 3.471 20 10 DGCDRN CCCCc1ccc(CC(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000159007208 661881377 /nfs/dbraw/zinc/88/13/77/661881377.db2.gz PICQJLJCMWBFKH-UHFFFAOYSA-N 0 0 313.397 3.299 20 10 DGCDRN O=C1/C(=C\c2csc([N+](=O)[O-])c2)SC(=S)N1C1CC1 ZINC000048642776 661893937 /nfs/dbraw/zinc/89/39/37/661893937.db2.gz XRQIOHXDBPIZLX-FPYGCLRLSA-N 0 0 312.397 3.020 20 10 DGCDRN CCOc1cccc(/C=C2/SC(=S)N(C3CC3)C2=O)c1 ZINC000048642773 661894039 /nfs/dbraw/zinc/89/40/39/661894039.db2.gz ILSCPHDOFRPRCY-UKTHLTGXSA-N 0 0 305.424 3.449 20 10 DGCDRN Cn1c2ccc(F)cc2nc1-c1ccc(N2CCOCC2)cc1 ZINC000075919716 661958066 /nfs/dbraw/zinc/95/80/66/661958066.db2.gz VBVYUVASTGVXKD-UHFFFAOYSA-N 0 0 311.360 3.216 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H](C)C[C@@H](C)O)cc1 ZINC000077118204 662015905 /nfs/dbraw/zinc/01/59/05/662015905.db2.gz LYFPPNSYINJGGI-CZUORRHYSA-N 0 0 314.429 3.231 20 10 DGCDRN CCC(C)(C)CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000190467922 662033160 /nfs/dbraw/zinc/03/31/60/662033160.db2.gz FCLRJBQFLHAGER-UHFFFAOYSA-N 0 0 301.434 3.298 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2CCC[C@@H](C)CC2)c1 ZINC000190551755 662036135 /nfs/dbraw/zinc/03/61/35/662036135.db2.gz ALJAQHTYOHGCII-TZMCWYRMSA-N 0 0 306.406 3.169 20 10 DGCDRN CCCC[C@H](COC)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000077795583 662040743 /nfs/dbraw/zinc/04/07/43/662040743.db2.gz MQGBLHQNYZRRPX-MRXNPFEDSA-N 0 0 321.465 3.099 20 10 DGCDRN CSCC[C@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000077802817 662041004 /nfs/dbraw/zinc/04/10/04/662041004.db2.gz AEWZFKYJPAJPPL-ZDUSSCGKSA-N 0 0 309.479 3.036 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(C#N)c(O)c2)cc1 ZINC000190739685 662042130 /nfs/dbraw/zinc/04/21/30/662042130.db2.gz NXLWUJKMEQVLBM-UHFFFAOYSA-N 0 0 323.396 3.040 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cccc(F)c2)c1 ZINC000078493387 662071109 /nfs/dbraw/zinc/07/11/09/662071109.db2.gz LKJKDYHSMUOKQY-JTQLQIEISA-N 0 0 304.321 3.423 20 10 DGCDRN CC(C)Oc1ccc(N(C)CC(=O)N2CCCCCC2)cc1 ZINC000191588717 662073305 /nfs/dbraw/zinc/07/33/05/662073305.db2.gz GEVINBQXTJMOIV-UHFFFAOYSA-N 0 0 304.434 3.313 20 10 DGCDRN Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000191593572 662073494 /nfs/dbraw/zinc/07/34/94/662073494.db2.gz DRFZDYJUZUYPES-BBRMVZONSA-N 0 0 303.377 3.094 20 10 DGCDRN CCOc1ccc(O)c([C@H]2NC(=O)c3c(Cl)cccc3N2)c1 ZINC000078788157 662085044 /nfs/dbraw/zinc/08/50/44/662085044.db2.gz VQXZQACWZKNCDG-OAHLLOKOSA-N 0 0 318.760 3.298 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cccc3cc[nH]c32)cc1F ZINC000079811129 662122139 /nfs/dbraw/zinc/12/21/39/662122139.db2.gz BIIAYMVXQXEFDE-UHFFFAOYSA-N 0 0 311.360 3.303 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N(Cc2ccccn2)C2CC2)cc1 ZINC000193102900 662122725 /nfs/dbraw/zinc/12/27/25/662122725.db2.gz MDNUKFMFTCYLAD-UHFFFAOYSA-N 0 0 324.428 3.022 20 10 DGCDRN C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2cccc(O)c2O)C1 ZINC000193104462 662123234 /nfs/dbraw/zinc/12/32/34/662123234.db2.gz IYSHBOGNHBHEHA-IAQYHMDHSA-N 0 0 315.344 3.460 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CC2(Cl)Cl)cc1 ZINC000193744862 662146971 /nfs/dbraw/zinc/14/69/71/662146971.db2.gz YAGZYRJJJKBCKE-CYBMUJFWSA-N 0 0 315.244 3.343 20 10 DGCDRN CCN(CC(C)(C)O)C(=O)c1sccc1-n1c(C)ccc1C ZINC000081970652 662175300 /nfs/dbraw/zinc/17/53/00/662175300.db2.gz WHVKYLPYSXQWIK-UHFFFAOYSA-N 0 0 320.458 3.389 20 10 DGCDRN Cc1cc(NCc2ccc(N(C)C)cc2)ccc1C(=O)N(C)C ZINC000194913090 662175897 /nfs/dbraw/zinc/17/58/97/662175897.db2.gz HIMIRTPUAXVAGT-UHFFFAOYSA-N 0 0 311.429 3.375 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cnc(C)s2)cc1 ZINC000195250448 662181816 /nfs/dbraw/zinc/18/18/16/662181816.db2.gz SPYXLQGIKGLIFC-UHFFFAOYSA-N 0 0 303.431 3.228 20 10 DGCDRN CC(C)(CNC(=O)Cc1ccc(N)cc1)c1ccccc1F ZINC000082700144 662191459 /nfs/dbraw/zinc/19/14/59/662191459.db2.gz CQRIQHKMYOKLCR-UHFFFAOYSA-N 0 0 300.377 3.044 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)CCO[C@@H](C)CC(C)C)c1 ZINC000088360178 662231033 /nfs/dbraw/zinc/23/10/33/662231033.db2.gz UYVXUOOKDSSIOQ-KBPBESRZSA-N 0 0 323.433 3.419 20 10 DGCDRN C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCN1C ZINC000090721728 662272867 /nfs/dbraw/zinc/27/28/67/662272867.db2.gz XBZUWVIBGDOXFQ-BXKDBHETSA-N 0 0 303.233 3.271 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)c1 ZINC000248651147 662356560 /nfs/dbraw/zinc/35/65/60/662356560.db2.gz UVPMVIQJSLLUAB-OUCADQQQSA-N 0 0 306.406 3.025 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(F)ccc1O ZINC000094062267 662362614 /nfs/dbraw/zinc/36/26/14/662362614.db2.gz UBZJUGDOWORURU-UHFFFAOYSA-N 0 0 316.376 3.260 20 10 DGCDRN COc1ccc(CNc2ccc(SC)nc2)c(O)c1OC ZINC000893382617 685306571 /nfs/dbraw/zinc/30/65/71/685306571.db2.gz JTPFCTYAFOSGKN-UHFFFAOYSA-N 0 0 306.387 3.138 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000065507369 685055962 /nfs/dbraw/zinc/05/59/62/685055962.db2.gz LTDJXKRQGQMDIB-HOTGVXAUSA-N 0 0 314.360 3.229 20 10 DGCDRN CC(C)(C)C(=O)N1CCC([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000378963906 685147128 /nfs/dbraw/zinc/14/71/28/685147128.db2.gz YUNWAKSVUDRGQP-UHFFFAOYSA-N 0 0 324.852 3.172 20 10 DGCDRN CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(N)cc1 ZINC001578390684 1191941025 /nfs/dbraw/zinc/94/10/25/1191941025.db2.gz HHIJNOIECKBHJS-UHFFFAOYSA-N 0 0 305.721 3.107 20 10 DGCDRN CN(C(=O)c1ccc(-c2cncnc2)cc1F)c1ccc(N)cc1 ZINC001578389514 1191941327 /nfs/dbraw/zinc/94/13/27/1191941327.db2.gz PLBSDWZVDMCSNC-UHFFFAOYSA-N 0 0 322.343 3.142 20 10 DGCDRN CN(C(=O)c1n[nH]c2ccc(Cl)cc21)c1ccc(N)cc1 ZINC001578392695 1191941460 /nfs/dbraw/zinc/94/14/60/1191941460.db2.gz IVRPQKVCNQZZHY-UHFFFAOYSA-N 0 0 300.749 3.075 20 10 DGCDRN COc1cc(CN(C)c2ccc(N)cc2)c(Br)cn1 ZINC001579150149 1191967887 /nfs/dbraw/zinc/96/78/87/1191967887.db2.gz FIWSGWJPOWRFMC-UHFFFAOYSA-N 0 0 322.206 3.071 20 10 DGCDRN COc1ccccc1C/C(C)=C\C(=O)NCc1ccc(N)cc1 ZINC001579306546 1191973331 /nfs/dbraw/zinc/97/33/31/1191973331.db2.gz VWQRYMONGDYQGI-OWBHPGMISA-N 0 0 310.397 3.083 20 10 DGCDRN [NH3+]Cc1ccc2c(c1)CCCN2Cc1ccc(F)c(F)c1[O-] ZINC001580339706 1192022382 /nfs/dbraw/zinc/02/23/82/1192022382.db2.gz AFNMZOBOYRDCNB-UHFFFAOYSA-N 0 0 304.340 3.082 20 10 DGCDRN COc1nscc1CN(C)Cc1ccc(N(C)C)c(C)c1 ZINC001620614231 1192037534 /nfs/dbraw/zinc/03/75/34/1192037534.db2.gz HEVHQWFWZWXFMD-UHFFFAOYSA-N 0 0 305.447 3.158 20 10 DGCDRN Cc1ncccc1/C=C/C(=O)NCc1cc(Cl)ccc1O ZINC001583821057 1192161962 /nfs/dbraw/zinc/16/19/62/1192161962.db2.gz SMYNNSOZQPFZPV-QPJJXVBHSA-N 0 0 302.761 3.079 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1coc2cc(O)ccc12 ZINC001585786021 1192281552 /nfs/dbraw/zinc/28/15/52/1192281552.db2.gz ALUDGINEMOMAAR-UHFFFAOYSA-N 0 0 324.380 3.443 20 10 DGCDRN Cc1cc(Cl)nc(C(=O)Nc2c3nonc3ccc2Cl)c1 ZINC001586683228 1192344027 /nfs/dbraw/zinc/34/40/27/1192344027.db2.gz ZKQKLEPKWVVBKX-UHFFFAOYSA-N 0 0 323.139 3.485 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)c1cc2ncccc2o1 ZINC001586682828 1192344046 /nfs/dbraw/zinc/34/40/46/1192344046.db2.gz JDPOSPBAHHGBNS-UHFFFAOYSA-N 0 0 314.688 3.270 20 10 DGCDRN C[C@H](NC(=O)c1oc2ccccc2c1CO)c1ccccc1O ZINC001587451152 1192400670 /nfs/dbraw/zinc/40/06/70/1192400670.db2.gz JRUSYHCLWQQPOQ-NSHDSACASA-N 0 0 311.337 3.122 20 10 DGCDRN CCC(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001587451502 1192400765 /nfs/dbraw/zinc/40/07/65/1192400765.db2.gz XMMXWJZJINCLQR-LBPRGKRZSA-N 0 0 312.369 3.232 20 10 DGCDRN C[C@@H](NC(=O)/C=C\c1ccc(Cl)nc1)c1ccccc1O ZINC001587447268 1192400898 /nfs/dbraw/zinc/40/08/98/1192400898.db2.gz NJOWNHLIRBBHSV-GXMKHXEJSA-N 0 0 302.761 3.331 20 10 DGCDRN C[C@H](NC(=O)c1cncn1-c1ccccc1)c1ccccc1O ZINC001587447558 1192401000 /nfs/dbraw/zinc/40/10/00/1192401000.db2.gz WRLYVINJBFEUAN-ZDUSSCGKSA-N 0 0 307.353 3.069 20 10 DGCDRN O=C(c1ccc(OC(F)F)cc1)N1Cc2cccc(O)c2C1 ZINC001587929002 1192425544 /nfs/dbraw/zinc/42/55/44/1192425544.db2.gz UPUWDWZRGGIBTF-UHFFFAOYSA-N 0 0 305.280 3.150 20 10 DGCDRN C[C@H](C(=O)N1Cc2cccc(O)c2C1)c1c(F)cccc1F ZINC001587928065 1192425642 /nfs/dbraw/zinc/42/56/42/1192425642.db2.gz IJOJCPNXJALNKV-JTQLQIEISA-N 0 0 303.308 3.316 20 10 DGCDRN CCN(Cc1ccc(-c2nn[nH]n2)cc1C)c1ccc(OC)cc1 ZINC001590719559 1192534734 /nfs/dbraw/zinc/53/47/34/1192534734.db2.gz FVKQHHDGIBXSGH-UHFFFAOYSA-N 0 0 323.400 3.210 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1[nH]ccc1-c1ccccc1 ZINC001593739376 1192640117 /nfs/dbraw/zinc/64/01/17/1192640117.db2.gz MVTAHRPIJKZJSN-UHFFFAOYSA-N 0 0 308.337 3.023 20 10 DGCDRN CCCn1c(C(=O)NCc2cc(O)ccc2O)cc2ccccc21 ZINC001593873674 1192641126 /nfs/dbraw/zinc/64/11/26/1192641126.db2.gz VZMPICUIYSUJLQ-UHFFFAOYSA-N 0 0 324.380 3.393 20 10 DGCDRN CO[C@@H](C(=O)NCc1cc(C)n(-c2ccccc2)c1C)C(C)C ZINC001596481307 1192693582 /nfs/dbraw/zinc/69/35/82/1192693582.db2.gz BHEGRPSCOJGQNL-GOSISDBHSA-N 0 0 314.429 3.381 20 10 DGCDRN COc1c(C)cc(C(=O)NCc2c(O)cccc2F)cc1C ZINC001596910843 1192710293 /nfs/dbraw/zinc/71/02/93/1192710293.db2.gz ABEDANPMZXGLKS-UHFFFAOYSA-N 0 0 303.333 3.087 20 10 DGCDRN CC[C@H](C)Oc1cc(C(=O)NCc2c(O)cccc2F)ccn1 ZINC001596912614 1192710571 /nfs/dbraw/zinc/71/05/71/1192710571.db2.gz PTUHPPWFSWTPNK-NSHDSACASA-N 0 0 318.348 3.034 20 10 DGCDRN C[C@@H](Sc1ccc(F)cc1)C(=O)NCc1c(O)cccc1F ZINC001596916406 1192711281 /nfs/dbraw/zinc/71/12/81/1192711281.db2.gz GDHAOPLTHPKDRA-SNVBAGLBSA-N 0 0 323.364 3.467 20 10 DGCDRN C[C@@H](CC(=O)NCc1c(O)cccc1O)c1ccc(F)cc1 ZINC001597568241 1192738331 /nfs/dbraw/zinc/73/83/31/1192738331.db2.gz CNVNSHVOLUTUEP-NSHDSACASA-N 0 0 303.333 3.047 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cnc2ccccn21 ZINC001597737006 1192744639 /nfs/dbraw/zinc/74/46/39/1192744639.db2.gz QWKKQMMPMNAOCE-UHFFFAOYSA-N 0 0 317.348 3.123 20 10 DGCDRN O=C(CCc1cccnc1)NCc1c(O)ccc2ccccc21 ZINC001597736564 1192744725 /nfs/dbraw/zinc/74/47/25/1192744725.db2.gz GCTFVUHWESVJPF-UHFFFAOYSA-N 0 0 306.365 3.189 20 10 DGCDRN Cc1oc(Br)cc1C(=O)N(C)c1ccc(N)cc1 ZINC000396463208 1176772986 /nfs/dbraw/zinc/77/29/86/1176772986.db2.gz DXGMKQHCMAPLKT-UHFFFAOYSA-N 0 0 309.163 3.209 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCCc3cccc(O)c32)cc1 ZINC001598217620 1192766516 /nfs/dbraw/zinc/76/65/16/1192766516.db2.gz MBIHUAMTFOPSFQ-UHFFFAOYSA-N 0 0 324.340 3.148 20 10 DGCDRN CC(C)c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1C[C@@H]1C ZINC001598420788 1192773419 /nfs/dbraw/zinc/77/34/19/1192773419.db2.gz YEZJIOBYYGNMGD-ZFWWWQNUSA-N 0 0 314.433 3.400 20 10 DGCDRN CN(C)c1cc(F)c(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2)cc1F ZINC001620988644 1192777690 /nfs/dbraw/zinc/77/76/90/1192777690.db2.gz SKEFXNMSFPWGRT-JOCQHMNTSA-N 0 0 312.404 3.467 20 10 DGCDRN Cc1cc(C(=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC001600116864 1192790994 /nfs/dbraw/zinc/79/09/94/1192790994.db2.gz MZCWYKHKQSKNNA-ZDUSSCGKSA-N 0 0 311.381 3.479 20 10 DGCDRN Cc1cc(C[N@H+](C)[C@@H](C(=O)[O-])c2ccccc2)ccc1N(C)C ZINC001600188881 1192801232 /nfs/dbraw/zinc/80/12/32/1192801232.db2.gz OLWYXKIBWLSVJF-GOSISDBHSA-N 0 0 312.413 3.319 20 10 DGCDRN Cc1cc(O)c(C[N@@H+]2CCSC[C@H](C(=O)[O-])C2)cc1C(C)C ZINC001600286881 1192827575 /nfs/dbraw/zinc/82/75/75/1192827575.db2.gz YVQDVWXGLGMUDY-CQSZACIVSA-N 0 0 323.458 3.074 20 10 DGCDRN COc1cc2[nH]ccc2c(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC001179687780 1177804437 /nfs/dbraw/zinc/80/44/37/1177804437.db2.gz YTEGALLJHIOJCC-HWKANZROSA-N 0 0 324.336 3.240 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1ccccc1O ZINC001330925446 1178093169 /nfs/dbraw/zinc/09/31/69/1178093169.db2.gz XAMFGBMYUUFLFY-VCDKRKBESA-N 0 0 310.344 3.186 20 10 DGCDRN Cc1ccc(O)c(C[NH2+][C@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC001600464647 1192858169 /nfs/dbraw/zinc/85/81/69/1192858169.db2.gz HIGUMJXUHQMHIJ-RHSMWYFYSA-N 0 0 313.397 3.122 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nc(C)cs1 ZINC001331106637 1178136611 /nfs/dbraw/zinc/13/66/11/1178136611.db2.gz QDXKJSNJEOHQMQ-UHFFFAOYSA-N 0 0 303.431 3.180 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CCC[C@H](F)C1 ZINC001332092150 1178357461 /nfs/dbraw/zinc/35/74/61/1178357461.db2.gz ACULDVWVHOTSTP-UONOGXRCSA-N 0 0 320.408 3.351 20 10 DGCDRN Cn1c2ccc(F)cc2c(C[NH2+][C@H]2CCCSC2)c1C(=O)[O-] ZINC001600902081 1192909881 /nfs/dbraw/zinc/90/98/81/1192909881.db2.gz POQWTCDTAIICRJ-NSHDSACASA-N 0 0 322.405 3.001 20 10 DGCDRN O=C(C[C@H]1CC[C@H](C2CC2)O1)Nc1c2nonc2ccc1Cl ZINC001335287883 1178886039 /nfs/dbraw/zinc/88/60/39/1178886039.db2.gz CVFPZSIFVLVMSO-BXKDBHETSA-N 0 0 321.764 3.162 20 10 DGCDRN Nc1ccc(CNC(=O)N[C@@H]2CCCc3ccc(F)cc32)cc1 ZINC001335520678 1178926522 /nfs/dbraw/zinc/92/65/22/1178926522.db2.gz IIUXSFJEUIURCE-QGZVFWFLSA-N 0 0 313.376 3.285 20 10 DGCDRN CC(C)(CNC(=O)NCc1ccc(N)cc1)Cc1ccccc1 ZINC001335666740 1178941516 /nfs/dbraw/zinc/94/15/16/1178941516.db2.gz UJKVHQBIIYUTLY-UHFFFAOYSA-N 0 0 311.429 3.337 20 10 DGCDRN C[C@H](NC(=O)NCc1ccc(N)cc1)C(C)(C)c1ccccc1 ZINC001335687279 1178942755 /nfs/dbraw/zinc/94/27/55/1178942755.db2.gz QERQJZWXAHUJGC-AWEZNQCLSA-N 0 0 311.429 3.434 20 10 DGCDRN C[NH+]1CCN(c2ccc(-c3nc4cnccc4s3)cc2)CC1 ZINC001341644134 1179042310 /nfs/dbraw/zinc/04/23/10/1179042310.db2.gz JQJVKEDDTKWSFP-UHFFFAOYSA-N 0 0 310.426 3.110 20 10 DGCDRN Cc1cccnc1[C@H](C)NC(=O)NCc1cc(Cl)ccc1O ZINC001342961758 1179217624 /nfs/dbraw/zinc/21/76/24/1179217624.db2.gz XQNAPQJIBUWMGK-NSHDSACASA-N 0 0 319.792 3.309 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2nccc(Cl)c2F)cc1 ZINC001343128449 1179236651 /nfs/dbraw/zinc/23/66/51/1179236651.db2.gz YJJLBVIGAQXCOS-UHFFFAOYSA-N 0 0 321.783 3.212 20 10 DGCDRN [O-]c1cccc(F)c1C[NH2+]Cc1ccccc1N1CCCC1 ZINC001343269670 1179249843 /nfs/dbraw/zinc/24/98/43/1179249843.db2.gz YMLFCSAHYQNFOW-UHFFFAOYSA-N 0 0 300.377 3.421 20 10 DGCDRN CC(=O)c1ccc(-c2nnc(C3=S=C4CCCC4=C3)o2)cc1 ZINC001345737893 1179601761 /nfs/dbraw/zinc/60/17/61/1179601761.db2.gz YSZLHSYSQPIHQG-UHFFFAOYSA-N 0 0 310.378 3.489 20 10 DGCDRN O=C([O-])c1ccc(C[NH2+]Cc2cc(Cl)ccc2O)c(F)c1 ZINC001602347646 1192972598 /nfs/dbraw/zinc/97/25/98/1192972598.db2.gz GVABDTZJKFPDLO-UHFFFAOYSA-N 0 0 309.724 3.173 20 10 DGCDRN CC[C@H]1Cc2ccccc2CN1C(=O)NCc1ccc(N)cc1 ZINC001346739107 1179740871 /nfs/dbraw/zinc/74/08/71/1179740871.db2.gz NIZMQNSZOIGNKS-SFHVURJKSA-N 0 0 309.413 3.315 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NC[C@H]1C[C@H]1Cc1ccccc1 ZINC001346955087 1179764498 /nfs/dbraw/zinc/76/44/98/1179764498.db2.gz WNKXMUSOPBQNDJ-QZTJIDSGSA-N 0 0 324.424 3.412 20 10 DGCDRN O=C(NC[C@H]1CCc2ccccc21)N1Cc2cccc(O)c2C1 ZINC001349309335 1179891849 /nfs/dbraw/zinc/89/18/49/1179891849.db2.gz MCPOPCPKJJDGCM-CQSZACIVSA-N 0 0 308.381 3.147 20 10 DGCDRN CCCN(CCC)c1ccc(CNCc2csnn2)cc1 ZINC001349625549 1179923649 /nfs/dbraw/zinc/92/36/49/1179923649.db2.gz OFXFLYCYNIETHF-UHFFFAOYSA-N 0 0 304.463 3.454 20 10 DGCDRN CC1(C)CCC[C@@H](COC(=O)/C=C\c2ccc(O)c(O)c2)O1 ZINC001349982649 1179991773 /nfs/dbraw/zinc/99/17/73/1179991773.db2.gz NHAOUERIYBCEBF-WOLRVDTOSA-N 0 0 306.358 3.002 20 10 DGCDRN COC(=O)c1cnc(SC[C@H](OC)C2CCCC2)s1 ZINC001350117038 1180019077 /nfs/dbraw/zinc/01/90/77/1180019077.db2.gz DPLOYHCCUULBKO-JTQLQIEISA-N 0 0 301.433 3.227 20 10 DGCDRN CC[C@H](C)[C@@H](OC)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001351164070 1180181903 /nfs/dbraw/zinc/18/19/03/1180181903.db2.gz SVWRWPPVHPNJFQ-MAUKXSAKSA-N 0 0 318.461 3.306 20 10 DGCDRN CC[C@@H](C)n1nccc1C(=O)NCc1cc(Cl)ccc1O ZINC001352324636 1180320029 /nfs/dbraw/zinc/32/00/29/1180320029.db2.gz ACPOJCYIQAWNEZ-SNVBAGLBSA-N 0 0 307.781 3.143 20 10 DGCDRN CSC1(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CC1 ZINC001352616139 1180369861 /nfs/dbraw/zinc/36/98/61/1180369861.db2.gz YNWGKGQPUDZIIG-UHFFFAOYSA-N 0 0 304.459 3.141 20 10 DGCDRN C[C@@H]1CCc2ccccc2[C@H]1NC(=O)NCc1ccc(N)cc1 ZINC001353394266 1180548014 /nfs/dbraw/zinc/54/80/14/1180548014.db2.gz XHDHBQPDBWEFCK-ACJLOTCBSA-N 0 0 309.413 3.392 20 10 DGCDRN CC1(C)C[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)CCO1 ZINC001353515242 1180576543 /nfs/dbraw/zinc/57/65/43/1180576543.db2.gz WBUFCTSAPGAMGO-INIZCTEOSA-N 0 0 316.445 3.108 20 10 DGCDRN Nc1ccc(CNC(=O)N2CCC[C@H]2c2cccc(F)c2)cc1 ZINC001353538863 1180583312 /nfs/dbraw/zinc/58/33/12/1180583312.db2.gz DZHSKLSARKIXAE-KRWDZBQOSA-N 0 0 313.376 3.455 20 10 DGCDRN CCOc1ccccc1C(=O)NCc1cc(Cl)ccc1O ZINC001300402014 1180644325 /nfs/dbraw/zinc/64/43/25/1180644325.db2.gz WAKNCFFJOHXHCW-UHFFFAOYSA-N 0 0 305.761 3.374 20 10 DGCDRN CCCCNC(=S)Nc1ccccc1C(=O)c1ccncc1 ZINC001200458203 1180658488 /nfs/dbraw/zinc/65/84/88/1180658488.db2.gz IBHIKTSCUSKGJX-UHFFFAOYSA-N 0 0 313.426 3.399 20 10 DGCDRN C[C@H](CC(C)(C)CC(=O)[O-])[NH2+]Cc1ccc2c(c1)CCCN2C ZINC001604122033 1193051941 /nfs/dbraw/zinc/05/19/41/1193051941.db2.gz KEGGWFKGFBOJLN-CQSZACIVSA-N 0 0 318.461 3.438 20 10 DGCDRN CSC1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCOCC1 ZINC001200751649 1180876821 /nfs/dbraw/zinc/87/68/21/1180876821.db2.gz QNFOUPWLARFYFV-UHFFFAOYSA-N 0 0 319.829 3.187 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCOCc1ccccc1 ZINC001200852884 1180973007 /nfs/dbraw/zinc/97/30/07/1180973007.db2.gz BBKMSRKTPVSTPB-UHFFFAOYSA-N 0 0 309.768 3.491 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CC=C(C(=O)[O-])C1)c1cc2c(cc1O)CCCC2 ZINC001604329405 1193065478 /nfs/dbraw/zinc/06/54/78/1193065478.db2.gz JYLNOBUGRXTSFO-XHDPSFHLSA-N 0 0 301.386 3.095 20 10 DGCDRN CN(Cc1ccccc1O)c1nnc([C@H]2CCCC2(F)F)n1C ZINC001355456453 1181059566 /nfs/dbraw/zinc/05/95/66/1181059566.db2.gz MMTZLQALIWXSRV-GFCCVEGCSA-N 0 0 322.359 3.060 20 10 DGCDRN C/C(=C/C(=O)N1CCCc2cc(F)cc(F)c21)c1cnccn1 ZINC001355668191 1181083815 /nfs/dbraw/zinc/08/38/15/1181083815.db2.gz DSVOEEOQXWFXEH-XFFZJAGNSA-N 0 0 315.323 3.138 20 10 DGCDRN C/C(=C\c1ccncc1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001356251882 1181164641 /nfs/dbraw/zinc/16/46/41/1181164641.db2.gz XSAXNJGHVTZYEL-JLHYYAGUSA-N 0 0 313.376 3.006 20 10 DGCDRN CO[C@H]1CCC[C@H]1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001356267179 1181167119 /nfs/dbraw/zinc/16/71/19/1181167119.db2.gz NMLCENKTTDDLSD-MSOLQXFVSA-N 0 0 316.445 3.060 20 10 DGCDRN CCc1ocnc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001356268437 1181168004 /nfs/dbraw/zinc/16/80/04/1181168004.db2.gz ZJRHSDFSFJINFA-UHFFFAOYSA-N 0 0 313.401 3.109 20 10 DGCDRN CCC(CC)c1cc(CNC(=O)NCc2ccc(N)cc2)on1 ZINC001357240840 1181373632 /nfs/dbraw/zinc/37/36/32/1181373632.db2.gz DYEYYQLAUSBYEK-UHFFFAOYSA-N 0 0 316.405 3.160 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CC[C@H]2c2ccccc2)cc1 ZINC001441395002 1182062888 /nfs/dbraw/zinc/06/28/88/1182062888.db2.gz BGAXABPBRFITJG-HNNXBMFYSA-N 0 0 308.341 3.436 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cc(F)ccc2O)cc1 ZINC001441718349 1182068571 /nfs/dbraw/zinc/06/85/71/1182068571.db2.gz XKTNQLVQUZRCBP-UHFFFAOYSA-N 0 0 316.376 3.308 20 10 DGCDRN CC(C)(NC(=O)Cc1ccc(O)c(O)c1)c1cccc(Cl)c1 ZINC001444524457 1182123389 /nfs/dbraw/zinc/12/33/89/1182123389.db2.gz KPHHGGROGPAEBD-UHFFFAOYSA-N 0 0 319.788 3.345 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)CCC3(C)CC3)CC2)cc1 ZINC001446418616 1182168911 /nfs/dbraw/zinc/16/89/11/1182168911.db2.gz JLKXZBFUYDIWJN-UHFFFAOYSA-N 0 0 316.445 3.314 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1C(F)F ZINC001447559247 1182192632 /nfs/dbraw/zinc/19/26/32/1182192632.db2.gz BRUHHRMGVZEWDR-JTQLQIEISA-N 0 0 321.323 3.396 20 10 DGCDRN COc1ccc2[nH]c(NC(=O)c3ccc(C)c(O)c3O)cc2c1 ZINC001447646191 1182194206 /nfs/dbraw/zinc/19/42/06/1182194206.db2.gz XLLKKBXLCNDLKU-UHFFFAOYSA-N 0 0 312.325 3.148 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)NCc1ccc(C2CCC2)cc1 ZINC001447730119 1182195248 /nfs/dbraw/zinc/19/52/48/1182195248.db2.gz WKKNPHSPDHNIQU-UHFFFAOYSA-N 0 0 311.381 3.224 20 10 DGCDRN COc1cccc2nc(NC(=O)C3=CC(=O)CS3)sc21 ZINC001452485429 1182289152 /nfs/dbraw/zinc/28/91/52/1182289152.db2.gz NLGGNVRYQPXFLD-UHFFFAOYSA-N 0 0 306.368 3.324 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2c[nH]nc2-c2ccsc2)c1 ZINC001453651526 1182321783 /nfs/dbraw/zinc/32/17/83/1182321783.db2.gz OQPMKJXVBBUNMP-UHFFFAOYSA-N 0 0 313.382 3.082 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2c(C)c(=O)[nH]c3ccccc32)c1 ZINC001453664374 1182321883 /nfs/dbraw/zinc/32/18/83/1182321883.db2.gz ZQEAJLHMPSNHRF-UHFFFAOYSA-N 0 0 322.364 3.193 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccc3nc(C)ccc3c2)c1 ZINC001453651560 1182321983 /nfs/dbraw/zinc/32/19/83/1182321983.db2.gz OWBRJFOIXLLOIU-UHFFFAOYSA-N 0 0 306.365 3.487 20 10 DGCDRN C[C@H](NC(=O)c1cncc(C(F)(F)F)c1)c1ccccc1O ZINC001454820583 1182353496 /nfs/dbraw/zinc/35/34/96/1182353496.db2.gz SGNDMVKQLOOEQF-VIFPVBQESA-N 0 0 310.275 3.297 20 10 DGCDRN C[C@H](NC(=O)c1ncccc1Br)c1ccccc1O ZINC001454819348 1182353761 /nfs/dbraw/zinc/35/37/61/1182353761.db2.gz QOIYMHJTVKVEKH-VIFPVBQESA-N 0 0 321.174 3.041 20 10 DGCDRN C[C@H](NC(=O)c1cc(F)cc(Cl)c1N)c1ccccc1O ZINC001454821119 1182353864 /nfs/dbraw/zinc/35/38/64/1182353864.db2.gz JPGLPZIKWFZGFY-QMMMGPOBSA-N 0 0 308.740 3.258 20 10 DGCDRN Cn1cc(C(=O)N2Cc3cccc(O)c3C2)c2cc(F)ccc21 ZINC001455036005 1182358852 /nfs/dbraw/zinc/35/88/52/1182358852.db2.gz DFVLQNXVSWOKJB-UHFFFAOYSA-N 0 0 310.328 3.179 20 10 DGCDRN Cc1cc(C)cc(C2(C(=O)NCc3c(O)cccc3F)CC2)c1 ZINC001456090472 1182396651 /nfs/dbraw/zinc/39/66/51/1182396651.db2.gz KLRQRPYPCGQXRW-UHFFFAOYSA-N 0 0 313.372 3.496 20 10 DGCDRN Cc1oc2ccccc2c1CNC(=O)c1c(F)ccc(O)c1O ZINC001457738139 1182478744 /nfs/dbraw/zinc/47/87/44/1182478744.db2.gz JIYLDIAWZPSXJA-UHFFFAOYSA-N 0 0 315.300 3.222 20 10 DGCDRN CCOc1ccc(C[N@@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c(O)c1 ZINC001605690659 1193164427 /nfs/dbraw/zinc/16/44/27/1193164427.db2.gz MXVGHUYWIPCSOL-AWEZNQCLSA-N 0 0 321.417 3.114 20 10 DGCDRN COc1cc(NCc2c(O)cccc2F)c([N+](=O)[O-])cc1OC ZINC001458615554 1182545115 /nfs/dbraw/zinc/54/51/15/1182545115.db2.gz FAKNXHWEZSOYDM-UHFFFAOYSA-N 0 0 322.292 3.069 20 10 DGCDRN Cc1cc(C(=O)Cn2ccnn2)c(C)n1-c1ccc2c(c1)CCC2 ZINC001459076220 1182566908 /nfs/dbraw/zinc/56/69/08/1182566908.db2.gz RCRODUQREXNPMF-UHFFFAOYSA-N 0 0 320.396 3.057 20 10 DGCDRN COC(=O)[C@@]1(NCc2ccc(N(C)C)c(C)c2)CC[C@@H](C)CC1 ZINC001460392872 1182684980 /nfs/dbraw/zinc/68/49/80/1182684980.db2.gz XGWKEWDRQGFAOL-QUWSVYMGSA-N 0 0 318.461 3.273 20 10 DGCDRN C[C@@H]([NH2+]CC(=O)Nc1cccc(Cl)c1)c1ccccc1O ZINC001460640937 1182703286 /nfs/dbraw/zinc/70/32/86/1182703286.db2.gz VUJIUMBDFGAAIH-LLVKDONJSA-N 0 0 304.777 3.335 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCCOCCc1ccccc1 ZINC001461063496 1182763256 /nfs/dbraw/zinc/76/32/56/1182763256.db2.gz BXPRMJGRLPDMBP-UHFFFAOYSA-N 0 0 321.367 3.409 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCc2ccnc3ccccc23)c1 ZINC001461617351 1182834783 /nfs/dbraw/zinc/83/47/83/1182834783.db2.gz CDFPIWXCLVHQNG-UHFFFAOYSA-N 0 0 323.352 3.181 20 10 DGCDRN CSC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCCCC1 ZINC001461755550 1182850971 /nfs/dbraw/zinc/85/09/71/1182850971.db2.gz OYDPTSUKUFHRQD-UHFFFAOYSA-N 0 0 310.419 3.456 20 10 DGCDRN [O-]c1c(F)cc(F)cc1CN1CC[NH+](C2CCCCC2)CC1 ZINC001462044090 1182901222 /nfs/dbraw/zinc/90/12/22/1182901222.db2.gz RAYVZPNTGBRKCC-UHFFFAOYSA-N 0 0 310.388 3.121 20 10 DGCDRN CCOC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1O)C1CC1 ZINC001462118318 1182910363 /nfs/dbraw/zinc/91/03/63/1182910363.db2.gz GIUKOTIJJCMXRD-AWEZNQCLSA-N 0 0 311.809 3.352 20 10 DGCDRN CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001462357191 1182942785 /nfs/dbraw/zinc/94/27/85/1182942785.db2.gz UGLTVBSBKGJYRV-WBVHZDCISA-N 0 0 305.324 3.072 20 10 DGCDRN COC(=O)C[C@](C)([NH2+]Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC001462520790 1182963357 /nfs/dbraw/zinc/96/33/57/1182963357.db2.gz SZFSEQOBMGLUOG-HNNXBMFYSA-N 0 0 315.772 3.006 20 10 DGCDRN Cc1cc(O)c(CNc2cccc3c2NC(=O)CO3)cc1Cl ZINC001462532527 1182964699 /nfs/dbraw/zinc/96/46/99/1182964699.db2.gz MGBNFDNRVVZDAX-UHFFFAOYSA-N 0 0 318.760 3.297 20 10 DGCDRN Clc1cnc(SCCc2ccc(-c3nn[nH]n3)cc2)s1 ZINC001606198821 1193194947 /nfs/dbraw/zinc/19/49/47/1193194947.db2.gz SWQLAYJCNVQIRN-UHFFFAOYSA-N 0 0 323.834 3.311 20 10 DGCDRN CN(c1ccc(CNC(=O)[C@H]2C[C@H]2F)cc1)C1CCCCC1 ZINC001464544264 1183098498 /nfs/dbraw/zinc/09/84/98/1183098498.db2.gz XIBPVAZTUURLPN-DLBZAZTESA-N 0 0 304.409 3.430 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cnc2c[nH]nc2c1 ZINC001467497499 1183266808 /nfs/dbraw/zinc/26/68/08/1183266808.db2.gz IOWOODQCSUZJOQ-UHFFFAOYSA-N 0 0 324.384 3.106 20 10 DGCDRN Cc1ccc(C(=O)N[C@H]2c3ccccc3CC[C@@H]2C)c(O)c1O ZINC001546172273 1183384214 /nfs/dbraw/zinc/38/42/14/1183384214.db2.gz RSZCGXLCHDDPAM-MEDUHNTESA-N 0 0 311.381 3.460 20 10 DGCDRN C[C@@H](CC(=O)NCc1ccc(O)cc1O)c1c[nH]c2ccccc21 ZINC001469160813 1183386670 /nfs/dbraw/zinc/38/66/70/1183386670.db2.gz UGRQQMIHNJTWIG-LBPRGKRZSA-N 0 0 324.380 3.389 20 10 DGCDRN COc1cc(C)ccc1C(=O)NCc1ccc2cccnc2c1O ZINC001469250780 1183393904 /nfs/dbraw/zinc/39/39/04/1183393904.db2.gz UDWJATHDIAAAPL-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN C[C@@H]1CCC[C@H](CNC(=O)N2Cc3cccc(O)c3C2)[C@@H]1C ZINC001470000929 1183453594 /nfs/dbraw/zinc/45/35/94/1183453594.db2.gz KGAVTVSBHWPLGQ-MGPQQGTHSA-N 0 0 302.418 3.490 20 10 DGCDRN C[C@@H]1CCC[C@@H](CNC(=O)N2Cc3cccc(O)c3C2)[C@H]1C ZINC001470000930 1183453666 /nfs/dbraw/zinc/45/36/66/1183453666.db2.gz KGAVTVSBHWPLGQ-RDBSUJKOSA-N 0 0 302.418 3.490 20 10 DGCDRN COc1c2ccccc2[nH]c1C(=O)NCc1cc(C)ccc1O ZINC001470255098 1183473451 /nfs/dbraw/zinc/47/34/51/1183473451.db2.gz QIYUYKVJCYDAQZ-UHFFFAOYSA-N 0 0 310.353 3.121 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CCOc2ccc(Cl)cc2)c1 ZINC001470254593 1183473498 /nfs/dbraw/zinc/47/34/98/1183473498.db2.gz IZQNJJHEMFGSFU-UHFFFAOYSA-N 0 0 319.788 3.439 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@H](CF)c1ccc(F)cc1 ZINC001471139665 1183541552 /nfs/dbraw/zinc/54/15/52/1183541552.db2.gz WMAJAHBVVWOBMN-OAHLLOKOSA-N 0 0 320.339 3.384 20 10 DGCDRN C[C@@H](NC(=O)c1cc(=O)[nH]c2ccccc21)c1ccccc1O ZINC001471193897 1183545455 /nfs/dbraw/zinc/54/54/55/1183545455.db2.gz MIHBIGZXJQDWDZ-LLVKDONJSA-N 0 0 308.337 3.137 20 10 DGCDRN C[C@H](NC(=O)Cc1ccccc1OC(F)F)c1ccccc1O ZINC001471194986 1183545645 /nfs/dbraw/zinc/54/56/45/1183545645.db2.gz RRMKOFQMLCELAY-NSHDSACASA-N 0 0 321.323 3.414 20 10 DGCDRN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)NCc1cccc(Cl)c1O ZINC001471348760 1183557368 /nfs/dbraw/zinc/55/73/68/1183557368.db2.gz BDNCKNWUUYZAGI-IXOXFDKPSA-N 0 0 308.809 3.137 20 10 DGCDRN O=C(CNC(=O)C1=CC(=O)CS1)c1cc2ccccc2s1 ZINC001471376971 1183559525 /nfs/dbraw/zinc/55/95/25/1183559525.db2.gz MOINVPFZPYXXFO-UHFFFAOYSA-N 0 0 317.391 3.281 20 10 DGCDRN O=C(CCSCc1ccccc1)NCc1cc(O)ccc1O ZINC001471662325 1183580520 /nfs/dbraw/zinc/58/05/20/1183580520.db2.gz ZEIMKILPGAFRNU-UHFFFAOYSA-N 0 0 317.410 3.038 20 10 DGCDRN C[C@H](CC(=O)NCc1cc(O)ccc1O)c1c[nH]c2ccccc21 ZINC001471661294 1183580686 /nfs/dbraw/zinc/58/06/86/1183580686.db2.gz MIVPJTBPCCQWPK-GFCCVEGCSA-N 0 0 324.380 3.389 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1cc(Cl)cc(Cl)c1 ZINC001471644162 1183580789 /nfs/dbraw/zinc/58/07/89/1183580789.db2.gz NYPGPSDSUPPTFE-UHFFFAOYSA-N 0 0 312.152 3.335 20 10 DGCDRN O=C(CCc1ccc2[nH]ccc2c1)NCc1c(O)cccc1F ZINC001471975743 1183603842 /nfs/dbraw/zinc/60/38/42/1183603842.db2.gz FVNYDBWVQKVXJF-UHFFFAOYSA-N 0 0 312.344 3.262 20 10 DGCDRN CCCCCC[C@@H](O)CCC(=O)NCc1c(O)cccc1F ZINC001471976341 1183604091 /nfs/dbraw/zinc/60/40/91/1183604091.db2.gz XADSTYYDMWATIP-CYBMUJFWSA-N 0 0 311.397 3.259 20 10 DGCDRN O=C(NCc1c(O)cccc1O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC001472064335 1183613207 /nfs/dbraw/zinc/61/32/07/1183613207.db2.gz VDJQFMUNGRGNMC-JXFKEZNVSA-N 0 0 323.392 3.008 20 10 DGCDRN CCO[C@H](CN1CCCc2cc(OC)cc(OC)c21)C1CC1 ZINC001473554160 1183772028 /nfs/dbraw/zinc/77/20/28/1183772028.db2.gz YLJJHHWKIIJYIT-QGZVFWFLSA-N 0 0 305.418 3.272 20 10 DGCDRN COc1ccc(N(C)CC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC001473613534 1183780954 /nfs/dbraw/zinc/78/09/54/1183780954.db2.gz UZZHGKMSCFEFJY-UHFFFAOYSA-N 0 0 306.312 3.048 20 10 DGCDRN Cc1cc(C[N@@H+]2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)ccc1N(C)C ZINC001607641513 1193244065 /nfs/dbraw/zinc/24/40/65/1193244065.db2.gz INBXBLCNVKKKRT-VQIMIIECSA-N 0 0 316.445 3.138 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@H]2CCc3ccccc3C2)c1 ZINC001474091588 1183864983 /nfs/dbraw/zinc/86/49/83/1183864983.db2.gz MUQHMZKBDNQABJ-ZDUSSCGKSA-N 0 0 312.369 3.195 20 10 DGCDRN COc1cc(C)c(CN[C@@H]2c3ccccc3OC[C@@H]2F)c(O)c1 ZINC001474706171 1183965820 /nfs/dbraw/zinc/96/58/20/1183965820.db2.gz YULXKXUENIWUIJ-MAUKXSAKSA-N 0 0 317.360 3.271 20 10 DGCDRN O=c1[nH]cc(C[NH2+]Cc2cc(F)c(F)cc2[O-])c2ccccc12 ZINC001474713626 1183967079 /nfs/dbraw/zinc/96/70/79/1183967079.db2.gz KPYQRPIXWFEOSK-UHFFFAOYSA-N 0 0 316.307 3.214 20 10 DGCDRN COc1ccc(NC(=O)NCc2cc(C)ccc2O)cc1OC ZINC001475905810 1184021757 /nfs/dbraw/zinc/02/17/57/1184021757.db2.gz QOZKQIKDCFJMJA-UHFFFAOYSA-N 0 0 316.357 3.040 20 10 DGCDRN COc1cccc(NC(=O)NCc2cc(C)ccc2O)c1C ZINC001476869606 1184054073 /nfs/dbraw/zinc/05/40/73/1184054073.db2.gz WBDSCCKQOXQKTE-UHFFFAOYSA-N 0 0 300.358 3.339 20 10 DGCDRN C[C@@H](NC(=O)NCc1ccc(F)c(F)c1)c1ccccc1O ZINC001477604537 1184101019 /nfs/dbraw/zinc/10/10/19/1184101019.db2.gz BUSXFYQUJVWYAD-SNVBAGLBSA-N 0 0 306.312 3.231 20 10 DGCDRN CC(C)[C@@H]1N(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1(C)C ZINC001477652547 1184104503 /nfs/dbraw/zinc/10/45/03/1184104503.db2.gz MDDUMACTNYPEOI-INIZCTEOSA-N 0 0 321.440 3.468 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCCCC1CCC1 ZINC001477855191 1184115137 /nfs/dbraw/zinc/11/51/37/1184115137.db2.gz RBWQXPXETWKOFJ-UHFFFAOYSA-N 0 0 303.450 3.441 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H]2CCCC[C@H]21 ZINC001477854944 1184115216 /nfs/dbraw/zinc/11/52/16/1184115216.db2.gz OTINLDNFEBFLQW-NVXWUHKLSA-N 0 0 301.434 3.145 20 10 DGCDRN Cn1c2ccc(F)cc2c(C[NH2+]C2CC(C)(C)C2)c1C(=O)[O-] ZINC001608078723 1193277568 /nfs/dbraw/zinc/27/75/68/1193277568.db2.gz FEZPLZNDHCPELL-UHFFFAOYSA-N 0 0 304.365 3.294 20 10 DGCDRN CCC1(CC(=O)N(C)Cc2ccc(N3CCCC3)cc2)COC1 ZINC001608453664 1193290022 /nfs/dbraw/zinc/29/00/22/1193290022.db2.gz VPSLPZPCMICFLN-UHFFFAOYSA-N 0 0 316.445 3.062 20 10 DGCDRN C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001609839042 1193359703 /nfs/dbraw/zinc/35/97/03/1193359703.db2.gz HJHAYZBKHAWMCS-HFTRVMKXSA-N 0 0 316.445 3.266 20 10 DGCDRN CCc1nnc(N(C)Cc2ccccc2O)n1CCC(C)(F)F ZINC001498675859 1185531044 /nfs/dbraw/zinc/53/10/44/1185531044.db2.gz USTKLKDTRXIJKG-UHFFFAOYSA-N 0 0 324.375 3.228 20 10 DGCDRN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)C12CCC2 ZINC001610034667 1193372706 /nfs/dbraw/zinc/37/27/06/1193372706.db2.gz UBSMXLTVBNFHKB-XFBWCDHKSA-N 0 0 319.401 3.089 20 10 DGCDRN CCOc1cccc(C[N@H+](CC2CC2)[C@@](C)(CC)C(=O)[O-])c1O ZINC001610045495 1193373636 /nfs/dbraw/zinc/37/36/36/1193373636.db2.gz SEBKSWZVRWRUEG-SFHVURJKSA-N 0 0 321.417 3.256 20 10 DGCDRN CCc1oc(C(=O)[O-])cc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC001610075145 1193375344 /nfs/dbraw/zinc/37/53/44/1193375344.db2.gz AOHHQZPLTGXVBM-GFCCVEGCSA-N 0 0 316.401 3.457 20 10 DGCDRN COc1cc(C[N@@H+]2CCC[C@H]2CC(=O)[O-])c(O)c(C(C)(C)C)c1 ZINC001610298395 1193381474 /nfs/dbraw/zinc/38/14/74/1193381474.db2.gz PACUYEUGDWVHDR-ZDUSSCGKSA-N 0 0 321.417 3.137 20 10 DGCDRN COc1ccc(C[NH2+]Cc2cc(C(=O)[O-])ccc2Cl)c(O)c1 ZINC001610336304 1193382906 /nfs/dbraw/zinc/38/29/06/1193382906.db2.gz UILZKPHPIILIIL-UHFFFAOYSA-N 0 0 321.760 3.042 20 10 DGCDRN O=C(NCc1ccc(C2CC2)cc1F)c1c(F)ccc(O)c1O ZINC001611424673 1193433486 /nfs/dbraw/zinc/43/34/86/1193433486.db2.gz ZZZBWBIKXRRETP-UHFFFAOYSA-N 0 0 319.307 3.183 20 10 DGCDRN CC1=CCN(c2nnc(C3SC=CC3=O)n2CC2CC2)CC1 ZINC001518347705 1186838143 /nfs/dbraw/zinc/83/81/43/1186838143.db2.gz XSDNVJDCSKRJKN-UHFFFAOYSA-N 0 0 316.430 3.279 20 10 DGCDRN O=C(NCc1c(O)cccc1F)NC1(Cc2ccccc2)CC1 ZINC001521760186 1187045351 /nfs/dbraw/zinc/04/53/51/1187045351.db2.gz VGZHNBQPYCDIKZ-UHFFFAOYSA-N 0 0 314.360 3.106 20 10 DGCDRN Oc1ccc(O)c(CNc2ccnc(Cc3ccccc3)n2)c1 ZINC001612844397 1193462265 /nfs/dbraw/zinc/46/22/65/1193462265.db2.gz KLDPYCJANCHONC-UHFFFAOYSA-N 0 0 307.353 3.091 20 10 DGCDRN COC(=O)/C=C/c1ccc(N(C)C[Si](C)(C)C)c([N+](=O)[O-])c1 ZINC001612950168 1193464673 /nfs/dbraw/zinc/46/46/73/1193464673.db2.gz HWAAGLDIWBJPOW-VQHVLOKHSA-N 0 0 322.437 3.095 20 10 DGCDRN Cc1cc(C(=O)Cn2cccc(F)c2=O)c(C)n1-c1ccccc1 ZINC001613859019 1193477871 /nfs/dbraw/zinc/47/78/71/1193477871.db2.gz ALFJIFAECIGQPU-UHFFFAOYSA-N 0 0 324.355 3.278 20 10 DGCDRN CSC[C@H](C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001525106276 1187296955 /nfs/dbraw/zinc/29/69/55/1187296955.db2.gz CWPBXIQVUYKYKP-AWEZNQCLSA-N 0 0 306.475 3.244 20 10 DGCDRN COc1ccc2c(c1)c1c(n2CC(=O)N(C)C(C)C)CCCC1 ZINC001525667766 1187326180 /nfs/dbraw/zinc/32/61/80/1187326180.db2.gz GBNPKLTZEJDMEL-UHFFFAOYSA-N 0 0 314.429 3.396 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCC[C@@H](C)C2)cc1 ZINC001527594696 1187438190 /nfs/dbraw/zinc/43/81/90/1187438190.db2.gz DSDGNIXAOSLNEY-HZPDHXFCSA-N 0 0 318.461 3.416 20 10 DGCDRN CC/C(C)=C(\C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001530897849 1187652607 /nfs/dbraw/zinc/65/26/07/1187652607.db2.gz UELJKNSPDWNXMT-CCEZHUSRSA-N 0 0 304.434 3.336 20 10 DGCDRN NC(=O)[C@@H](Sc1ncc(Cl)s1)c1ccc(F)cc1 ZINC001614768640 1193505656 /nfs/dbraw/zinc/50/56/56/1193505656.db2.gz NFFPBQUUEWEVJZ-VIFPVBQESA-N 0 0 302.783 3.254 20 10 DGCDRN Cc1ncccc1/C=C\C(=O)N1CCN(C)c2cc(F)ccc21 ZINC001531588479 1187698506 /nfs/dbraw/zinc/69/85/06/1187698506.db2.gz CYDITAPSAUGEHS-YVMONPNESA-N 0 0 311.360 3.025 20 10 DGCDRN Cc1cc(CNC(=O)c2cncs2)c(C)n1-c1ccccc1 ZINC001534765672 1187920635 /nfs/dbraw/zinc/92/06/35/1187920635.db2.gz HPIKAVVWIJFAIP-UHFFFAOYSA-N 0 0 311.410 3.481 20 10 DGCDRN Cc1cc(CNC(=O)c2cncn2C)c(C)n1-c1cccc(C)c1 ZINC001535136695 1187941067 /nfs/dbraw/zinc/94/10/67/1187941067.db2.gz VRHSSMHRNQLJPK-UHFFFAOYSA-N 0 0 322.412 3.066 20 10 DGCDRN Cn1cnc(/C=C/C(=O)N2CCCc3c(F)ccc(Cl)c32)c1 ZINC001535295801 1187949877 /nfs/dbraw/zinc/94/98/77/1187949877.db2.gz PPEMAXIWQHLEAD-QPJJXVBHSA-N 0 0 319.767 3.205 20 10 DGCDRN COc1ccc(N2CCN(CC=C(Cl)Cl)CC2)cc1F ZINC001616265832 1193534181 /nfs/dbraw/zinc/53/41/81/1193534181.db2.gz LCQHRLPHPKWMKE-UHFFFAOYSA-N 0 0 319.207 3.275 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@@H]2C[C@@H]2C)c1 ZINC001540817788 1188263247 /nfs/dbraw/zinc/26/32/47/1188263247.db2.gz FOQAFBKGAQUIQA-LRDDRELGSA-N 0 0 310.397 3.292 20 10 DGCDRN CCn1ncc(C)c1NC(=O)c1ccc(C2=S=CC=C2)s1 ZINC001616970120 1193553550 /nfs/dbraw/zinc/55/35/50/1193553550.db2.gz DZNNZEXJYRYAJU-UHFFFAOYSA-N 0 0 317.439 3.151 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cc(F)ccc2N)cc1 ZINC001543179873 1188317544 /nfs/dbraw/zinc/31/75/44/1188317544.db2.gz WWWGUPAKFGPAMD-UHFFFAOYSA-N 0 0 315.392 3.184 20 10 DGCDRN COc1ccc(N(CCC(C)C)C[C@@H]2C[C@@H]3COC[C@H]3O2)cc1 ZINC001617720634 1193578650 /nfs/dbraw/zinc/57/86/50/1193578650.db2.gz WTGXOEJIMXORGU-AYOQOUSVSA-N 0 0 319.445 3.352 20 10 DGCDRN C[C@@H]1C[C@H](c2ccccc2)N(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001556530034 1189005432 /nfs/dbraw/zinc/00/54/32/1189005432.db2.gz YRXWMZHGBDIYTE-CZUORRHYSA-N 0 0 311.381 3.250 20 10 DGCDRN Cc1cc(C(=O)Nn2ccnn2)c(C)n1-c1ccc(C(C)C)cc1 ZINC001556701102 1189015180 /nfs/dbraw/zinc/01/51/80/1189015180.db2.gz AAFUISKONFRAOU-UHFFFAOYSA-N 0 0 323.400 3.193 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2conc2C)cc1 ZINC001556792987 1189020562 /nfs/dbraw/zinc/02/05/62/1189020562.db2.gz KQLZFUDAPDCFIJ-UHFFFAOYSA-N 0 0 309.369 3.321 20 10 DGCDRN CCc1cccc(C(=O)NCc2ccc3cccnc3c2O)c1O ZINC001557121979 1189042118 /nfs/dbraw/zinc/04/21/18/1189042118.db2.gz DXPHKSMCOJOOOY-UHFFFAOYSA-N 0 0 322.364 3.138 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1Cc2ccccc2S1 ZINC001557385892 1189061345 /nfs/dbraw/zinc/06/13/45/1189061345.db2.gz LVQBPRDYECVOND-OAHLLOKOSA-N 0 0 319.813 3.379 20 10 DGCDRN O=C(Nc1c(O)cccc1F)c1cc2cc(O)c(O)cc2s1 ZINC001557409155 1189062918 /nfs/dbraw/zinc/06/29/18/1189062918.db2.gz FZCQOUHKCYJDHF-UHFFFAOYSA-N 0 0 319.313 3.410 20 10 DGCDRN COc1c(C)cc(Cl)cc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001557551311 1189070733 /nfs/dbraw/zinc/07/07/33/1189070733.db2.gz KQAQWFAGJYCFMQ-UHFFFAOYSA-N 0 0 321.760 3.249 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1nsc2ccccc21 ZINC001558457466 1189126237 /nfs/dbraw/zinc/12/62/37/1189126237.db2.gz NHTPYNMZBJRBDO-UHFFFAOYSA-N 0 0 302.330 3.071 20 10 DGCDRN C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1c(O)cccc1F ZINC001558454959 1189126546 /nfs/dbraw/zinc/12/65/46/1189126546.db2.gz IPUXAJIWHXUCSJ-JTQLQIEISA-N 0 0 323.751 3.268 20 10 DGCDRN CC[C@@H]1C[C@H](C(=O)NCc2c(O)ccc3ccccc32)CCO1 ZINC001558554029 1189133089 /nfs/dbraw/zinc/13/30/89/1189133089.db2.gz HRPWRRFTMPKUMQ-HUUCEWRRSA-N 0 0 313.397 3.367 20 10 DGCDRN COCc1ccc(C(=O)NCc2c(O)ccc3ccccc32)o1 ZINC001558553333 1189133244 /nfs/dbraw/zinc/13/32/44/1189133244.db2.gz MWJBMQRUVAQEPZ-UHFFFAOYSA-N 0 0 311.337 3.215 20 10 DGCDRN C[C@@H](CN(C)C(=O)c1c(F)ccc(O)c1O)c1ccccc1 ZINC001558925440 1189156940 /nfs/dbraw/zinc/15/69/40/1189156940.db2.gz JZZDBCQRSQDWKI-NSHDSACASA-N 0 0 303.333 3.113 20 10 DGCDRN O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1c(F)ccc(O)c1O ZINC001558971711 1189160204 /nfs/dbraw/zinc/16/02/04/1189160204.db2.gz BDYALXSPANPZQH-UMSPYCQHSA-N 0 0 319.307 3.052 20 10 DGCDRN CC(C)Cc1cc(N[C@H](C)Cc2ccc(O)c(O)c2)ncn1 ZINC001559163325 1189176668 /nfs/dbraw/zinc/17/66/68/1189176668.db2.gz QPPVPJKXLGXHIC-GFCCVEGCSA-N 0 0 301.390 3.129 20 10 DGCDRN Cc1ccc(O)c(CNc2ncnc(F)c2Br)c1 ZINC001559240489 1189185693 /nfs/dbraw/zinc/18/56/93/1189185693.db2.gz RKQJNHOHOYUJGQ-UHFFFAOYSA-N 0 0 312.142 3.004 20 10 DGCDRN FC(F)Oc1ccc2c(c1)CCCN2C[C@H]1C[C@]12CCOC2 ZINC001559605500 1189222543 /nfs/dbraw/zinc/22/25/43/1189222543.db2.gz UJKBZWHBUXVBNO-DYVFJYSZSA-N 0 0 309.356 3.467 20 10 DGCDRN COC(=O)[C@@H](c1ccc(Cl)cc1)N(C)Cc1ccccc1O ZINC001559607257 1189222703 /nfs/dbraw/zinc/22/27/03/1189222703.db2.gz GSQUKCOEQQWLIF-MRXNPFEDSA-N 0 0 319.788 3.392 20 10 DGCDRN COc1ccc2c(c1)CCCCN2CCNC(=O)OC(C)(C)C ZINC001559659139 1189227129 /nfs/dbraw/zinc/22/71/29/1189227129.db2.gz BJQXDDWWWBGXPE-UHFFFAOYSA-N 0 0 320.433 3.363 20 10 DGCDRN COC(=O)[C@H](NCc1ccc(N(C)C)c(C)c1)C1CCCCC1 ZINC001559731699 1189235905 /nfs/dbraw/zinc/23/59/05/1189235905.db2.gz UCNMTOBSVKEHGI-GOSISDBHSA-N 0 0 318.461 3.273 20 10 DGCDRN COc1cc(NCc2cc(F)cc(F)c2O)ccc1NC(C)=O ZINC001560275475 1189303868 /nfs/dbraw/zinc/30/38/68/1189303868.db2.gz DDIKCTILLCILES-UHFFFAOYSA-N 0 0 322.311 3.250 20 10 DGCDRN CN(C)c1ccc(CNc2ccc(-n3nccn3)cc2)cc1F ZINC001560384977 1189320950 /nfs/dbraw/zinc/32/09/50/1189320950.db2.gz FBVRMUWYNISLGC-UHFFFAOYSA-N 0 0 311.364 3.085 20 10 DGCDRN Cn1ccc2ccc(NCc3cc(F)cc(F)c3O)cc2c1=O ZINC001560465696 1189331451 /nfs/dbraw/zinc/33/14/51/1189331451.db2.gz DLTHTYGJGUWDGK-UHFFFAOYSA-N 0 0 316.307 3.134 20 10 DGCDRN CN(C)c1ccc(/C=C/CN2C[C@@H](O)Cc3ccccc32)cc1 ZINC001560795783 1189383206 /nfs/dbraw/zinc/38/32/06/1189383206.db2.gz FBRACAFOQRPFBN-UEKDZROGSA-N 0 0 308.425 3.189 20 10 DGCDRN CCc1cccc(CN2CCN(c3ccc(C)cc3)C(=O)C2)c1O ZINC001560824934 1189387660 /nfs/dbraw/zinc/38/76/60/1189387660.db2.gz WZRLKFOSJOFDKW-UHFFFAOYSA-N 0 0 324.424 3.112 20 10 DGCDRN CC1(C)CC[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])OC1 ZINC001560987457 1189416447 /nfs/dbraw/zinc/41/64/47/1189416447.db2.gz MXYHCGKJCAEYCZ-NSHDSACASA-N 0 0 301.789 3.480 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)Nc1ccc2c(c1)OCO2 ZINC001562158494 1189475575 /nfs/dbraw/zinc/47/55/75/1189475575.db2.gz HQKDENHQBZVKRV-UHFFFAOYSA-N 0 0 320.732 3.096 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1cc(F)c(F)c(F)c1F ZINC001563181274 1189499600 /nfs/dbraw/zinc/49/96/00/1189499600.db2.gz UJGNERQWKCMUHC-UHFFFAOYSA-N 0 0 314.238 3.270 20 10 DGCDRN COc1ccc(CNC(=O)NC[C@@H]2CCCC(C)(C)C2)c(O)c1 ZINC001564934397 1189608419 /nfs/dbraw/zinc/60/84/19/1189608419.db2.gz YDQRSSMXZYQYCO-CYBMUJFWSA-N 0 0 320.433 3.416 20 10 DGCDRN CC[C@H]1CCN(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC001564945757 1189609573 /nfs/dbraw/zinc/60/95/73/1189609573.db2.gz UGHWNTWBBBTEBX-HOTGVXAUSA-N 0 0 317.477 3.434 20 10 DGCDRN CC1CC(CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001565125372 1189623607 /nfs/dbraw/zinc/62/36/07/1189623607.db2.gz PUADRBANZNKXPR-UHFFFAOYSA-N 0 0 315.461 3.474 20 10 DGCDRN O=C(C=Cc1ccc(O)c(O)c1)Nc1ccccc1-c1cc[nH]n1 ZINC001570864969 1190968737 /nfs/dbraw/zinc/96/87/37/1190968737.db2.gz UUIPPZYUBTVMCM-VURMDHGXSA-N 0 0 321.336 3.140 20 10 DGCDRN CCN(C)c1ccc(CN[C@@H](CO)c2cc(F)ccc2F)cc1 ZINC001620669714 1193789370 /nfs/dbraw/zinc/78/93/70/1193789370.db2.gz YEFBBBRANCXOHB-SFHVURJKSA-N 0 0 320.383 3.244 20 10 DGCDRN O=C1CCCN1c1ccc(NCc2cc(F)cc(F)c2O)cc1 ZINC001620733242 1193796264 /nfs/dbraw/zinc/79/62/64/1193796264.db2.gz HQWTVCQSKPRHNH-UHFFFAOYSA-N 0 0 318.323 3.409 20 10 DGCDRN C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cccc(O)c1O ZINC001621177343 1193813976 /nfs/dbraw/zinc/81/39/76/1193813976.db2.gz YFPBDGRJTPQCMU-QFYYESIMSA-N 0 0 315.344 3.290 20 10 DGCDRN COCC[N@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1[O-] ZINC001621218282 1193818381 /nfs/dbraw/zinc/81/83/81/1193818381.db2.gz AKGIKVQBPDDVGU-UHFFFAOYSA-N 0 0 307.340 3.319 20 10 DGCDRN CCn1cnc(Cl)c1CN1CCOc2cc(N(C)C)ccc21 ZINC001621230519 1193819329 /nfs/dbraw/zinc/81/93/29/1193819329.db2.gz HMJYSAAHDODZKR-UHFFFAOYSA-N 0 0 320.824 3.021 20 10 DGCDRN CCCn1cc(CN2CCOc3cc(N(C)C)ccc32)c(C)n1 ZINC001621230528 1193819639 /nfs/dbraw/zinc/81/96/39/1193819639.db2.gz HPBIFSYRJDOEPK-UHFFFAOYSA-N 0 0 314.433 3.067 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@@H]1CCc2cc(O)ccc2C1 ZINC001621292302 1193827619 /nfs/dbraw/zinc/82/76/19/1193827619.db2.gz UXTQZJQPFXUWLO-CYBMUJFWSA-N 0 0 305.324 3.023 20 10 DGCDRN [O-]c1c(F)cccc1C[NH2+]Cc1ccc2c(c1)OC(F)(F)O2 ZINC001621406816 1193838835 /nfs/dbraw/zinc/83/88/35/1193838835.db2.gz FFYDTGPLQMDPMM-UHFFFAOYSA-N 0 0 311.259 3.143 20 10 DGCDRN CCCNC(=O)c1ccc(NCc2cccc(F)c2O)cc1 ZINC001621416576 1193840639 /nfs/dbraw/zinc/84/06/39/1193840639.db2.gz GJTSJPVYZSMBHW-UHFFFAOYSA-N 0 0 302.349 3.283 20 10 DGCDRN CCC[C@@H](NCc1cc(OC)cc(C(C)(C)C)c1O)C(=O)OC ZINC001621542162 1193856327 /nfs/dbraw/zinc/85/63/27/1193856327.db2.gz QHTMSTMJRNLOKG-OAHLLOKOSA-N 0 0 323.433 3.130 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)N2CCC(F)(F)CC2)cc1 ZINC001621601867 1193862555 /nfs/dbraw/zinc/86/25/55/1193862555.db2.gz IGMSGTGKKCAQCJ-UHFFFAOYSA-N 0 0 311.376 3.036 20 10 DGCDRN CSc1ccc(CCC(=O)NCc2ccccc2O)cc1 ZINC001622773043 1193911212 /nfs/dbraw/zinc/91/12/12/1193911212.db2.gz SEXRMCKJNDYVBK-UHFFFAOYSA-N 0 0 301.411 3.363 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CC2CCC1CC2 ZINC001623574498 1193939658 /nfs/dbraw/zinc/93/96/58/1193939658.db2.gz PSBKLJBXCQYGTM-JXQTWKCFSA-N 0 0 308.418 3.320 20 10 DGCDRN O=C(NCc1ccccc1F)c1cc2cc(O)c(O)cc2s1 ZINC001624279720 1193990504 /nfs/dbraw/zinc/99/05/04/1193990504.db2.gz VWIMSZMPSJVRAP-UHFFFAOYSA-N 0 0 317.341 3.382 20 10 DGCDRN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC001625240822 1194039245 /nfs/dbraw/zinc/03/92/45/1194039245.db2.gz SMNXQFWQUXNLED-FHLIZLRMSA-N 0 0 318.461 3.161 20 10 DGCDRN COc1cc(NC(=O)N(C)Cc2ccccc2O)cc(Cl)n1 ZINC001625511542 1194055647 /nfs/dbraw/zinc/05/56/47/1194055647.db2.gz SYVUBKPVVHQIGC-UHFFFAOYSA-N 0 0 321.764 3.113 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)/C=C\C2CCCC2)cc1 ZINC001628468523 1194180375 /nfs/dbraw/zinc/18/03/75/1194180375.db2.gz CFUVPNXOUARJNK-JYRVWZFOSA-N 0 0 316.445 3.336 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@]2(C)CC(C)=NO2)cc1 ZINC001628857933 1194201328 /nfs/dbraw/zinc/20/13/28/1194201328.db2.gz RVMSGZICXBDZSZ-SFHVURJKSA-N 0 0 317.433 3.046 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c(O)c1O ZINC001628946349 1194204810 /nfs/dbraw/zinc/20/48/10/1194204810.db2.gz YNUJKMREDADIRE-BFHYXJOUSA-N 0 0 303.402 3.495 20 10 DGCDRN CCC[C@H](C)NC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001629298387 1194224605 /nfs/dbraw/zinc/22/46/05/1194224605.db2.gz ONYFSGIKXXLMJR-GJZGRUSLSA-N 0 0 305.466 3.480 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(F)c(C)c1N ZINC001629959651 1194261659 /nfs/dbraw/zinc/26/16/59/1194261659.db2.gz JJHVXYAAALQWTR-UHFFFAOYSA-N 0 0 316.376 3.474 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cccc(O)c1F ZINC001629959857 1194261757 /nfs/dbraw/zinc/26/17/57/1194261757.db2.gz QXEPLELNZRDICS-UHFFFAOYSA-N 0 0 303.333 3.289 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(F)cc(C)c1N ZINC001631159249 1194322844 /nfs/dbraw/zinc/32/28/44/1194322844.db2.gz LXBVVWVTNIBURQ-UHFFFAOYSA-N 0 0 316.376 3.474 20 10 DGCDRN Cc1cnn(-c2ccc(C)cc2NC(=O)c2cccc(O)c2O)c1 ZINC001632078351 1194370097 /nfs/dbraw/zinc/37/00/97/1194370097.db2.gz CZBCLHDHYFXWJY-UHFFFAOYSA-N 0 0 323.352 3.153 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(F)c(C(F)F)c1 ZINC001632482126 1194391746 /nfs/dbraw/zinc/39/17/46/1194391746.db2.gz LSXJMWUGGHVOAB-UHFFFAOYSA-N 0 0 311.259 3.356 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC(F)(F)C1 ZINC001632661091 1194401680 /nfs/dbraw/zinc/40/16/80/1194401680.db2.gz SSRIXGBWFKUKFY-UHFFFAOYSA-N 0 0 304.340 3.494 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)Nc1cnccc1-c1ccccc1 ZINC001632878133 1194410058 /nfs/dbraw/zinc/41/00/58/1194410058.db2.gz LEZAKLLQSJHEEY-UHFFFAOYSA-N 0 0 320.348 3.341 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N[C@H](c2cccnc2)C2CC2)cc1 ZINC001633054510 1194419403 /nfs/dbraw/zinc/41/94/03/1194419403.db2.gz ZXNGMHRYBLNGFT-HNNXBMFYSA-N 0 0 323.356 3.125 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Cc2c[nH]c3cccc(C)c23)c1 ZINC001633283220 1194429685 /nfs/dbraw/zinc/42/96/85/1194429685.db2.gz XPBMBRRSKYCFHP-UHFFFAOYSA-N 0 0 308.381 3.349 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@H](C)c2ccc(F)c(F)c2)c1 ZINC001633282269 1194429941 /nfs/dbraw/zinc/42/99/41/1194429941.db2.gz HBROXTJKWOWWMV-LLVKDONJSA-N 0 0 305.324 3.399 20 10 DGCDRN Cc1ccc(C(=O)NC2CCC(C3CCC3)CC2)c(O)c1O ZINC001633356389 1194433441 /nfs/dbraw/zinc/43/34/41/1194433441.db2.gz URRPJHKPPAGWEL-UHFFFAOYSA-N 0 0 303.402 3.495 20 10 DGCDRN C/C(=C\C(=O)NCc1cccc(O)c1O)c1ccccc1Cl ZINC001633509769 1194440452 /nfs/dbraw/zinc/44/04/52/1194440452.db2.gz WXPQGXCPQOZJGR-PKNBQFBNSA-N 0 0 317.772 3.471 20 10 DGCDRN Cc1cc(C)c(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1O ZINC001633519794 1194440947 /nfs/dbraw/zinc/44/09/47/1194440947.db2.gz BESYXCLBQKQSLK-UHFFFAOYSA-N 0 0 312.329 3.424 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cc(C=O)[nH]c1C ZINC001634012429 1194469476 /nfs/dbraw/zinc/46/94/76/1194469476.db2.gz PGTZDGPZSZBDAW-UHFFFAOYSA-N 0 0 314.385 3.284 20 10 DGCDRN CC(C)N(C)c1ccccc1NC(=O)c1cccc(O)c1O ZINC001634796538 1194515943 /nfs/dbraw/zinc/51/59/43/1194515943.db2.gz LTYRDCAQFJOFAJ-UHFFFAOYSA-N 0 0 300.358 3.195 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1ocnc1-c1ccccc1 ZINC001635367035 1194547754 /nfs/dbraw/zinc/54/77/54/1194547754.db2.gz WQAZDHNWEQVHOI-UHFFFAOYSA-N 0 0 312.300 3.116 20 10 DGCDRN CC(C)[C@@H]1c2ccccc2CCN1C(=O)c1cccc(O)c1O ZINC001635496818 1194554758 /nfs/dbraw/zinc/55/47/58/1194554758.db2.gz KMGXWMOXWROCMT-QGZVFWFLSA-N 0 0 311.381 3.493 20 10 DGCDRN CCO/C=C/C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001635647250 1194563806 /nfs/dbraw/zinc/56/38/06/1194563806.db2.gz DEWFLAPGOVVOEF-PKNBQFBNSA-N 0 0 301.342 3.064 20 10 DGCDRN C[C@H](NC(=O)c1cc(C(F)(F)F)ccc1N)c1ccccc1O ZINC001635803370 1194573236 /nfs/dbraw/zinc/57/32/36/1194573236.db2.gz CKJMGLMTAGZXED-VIFPVBQESA-N 0 0 324.302 3.484 20 10 DGCDRN C[C@H](CC(=O)NCc1c(O)ccc2ccccc21)n1ccnc1 ZINC001635969839 1194583009 /nfs/dbraw/zinc/58/30/09/1194583009.db2.gz YULFEIHWOPHCAR-CYBMUJFWSA-N 0 0 309.369 3.009 20 10 DGCDRN COc1cccc(CNC(=O)c2coc3c2cccc3C)c1O ZINC001636061468 1194590015 /nfs/dbraw/zinc/59/00/15/1194590015.db2.gz OARSMFJKNUMTLR-UHFFFAOYSA-N 0 0 311.337 3.385 20 10 DGCDRN Cc1nc(-c2ccccc2)[nH]c1C(=O)N1Cc2cccc(O)c2C1 ZINC001636231135 1194600970 /nfs/dbraw/zinc/60/09/70/1194600970.db2.gz RUCBUBQPLHNOEK-UHFFFAOYSA-N 0 0 319.364 3.247 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@@H](C)C[C@H]1C ZINC001636263935 1194602732 /nfs/dbraw/zinc/60/27/32/1194602732.db2.gz VVNJWKJFQGEOSH-CWRNSKLLSA-N 0 0 317.477 3.432 20 10 DGCDRN CC(C)(NC(=O)Cc1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC001636438712 1194613392 /nfs/dbraw/zinc/61/33/92/1194613392.db2.gz UEAJAARLPPRWHB-UHFFFAOYSA-N 0 0 319.788 3.345 20 10 DGCDRN CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001636923187 1194641042 /nfs/dbraw/zinc/64/10/42/1194641042.db2.gz XJYIDZAVVBTVNY-ICGPHACGSA-N 0 0 319.401 3.327 20 10 DGCDRN O=C(CCc1cc(Cl)cs1)NCc1cc(O)ccc1O ZINC001637126450 1194651749 /nfs/dbraw/zinc/65/17/49/1194651749.db2.gz ZBJJLBULNAELQC-UHFFFAOYSA-N 0 0 311.790 3.062 20 10 DGCDRN CNc1ccc(C(=O)NCc2cccc(Cl)c2O)cc1F ZINC001637232219 1194658064 /nfs/dbraw/zinc/65/80/64/1194658064.db2.gz MTXRMMMEQAFTAO-UHFFFAOYSA-N 0 0 308.740 3.156 20 10 DGCDRN Cc1cc(-c2ncco2)ccc1NC(=O)c1cccc(O)c1O ZINC001637548615 1194675543 /nfs/dbraw/zinc/67/55/43/1194675543.db2.gz SSGOAFULAHKBPC-UHFFFAOYSA-N 0 0 310.309 3.314 20 10 DGCDRN C[C@H](CC(=O)NCc1ccc2cccnc2c1O)c1ccncc1 ZINC001638573091 1194724514 /nfs/dbraw/zinc/72/45/14/1194724514.db2.gz IRCHOKIJURXVPD-CYBMUJFWSA-N 0 0 321.380 3.145 20 10 DGCDRN Cc1ccc(CCC(=O)NCc2ccc3cccnc3c2O)cc1 ZINC001638569496 1194724616 /nfs/dbraw/zinc/72/46/16/1194724616.db2.gz GGJYMXWFRPXXKX-UHFFFAOYSA-N 0 0 320.392 3.498 20 10 DGCDRN Cc1ccc([C@@H]2C[C@H]2NC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC001638820320 1194739575 /nfs/dbraw/zinc/73/95/75/1194739575.db2.gz WPZCGRZIHXPGAW-ZIDUMWFYSA-N 0 0 309.365 3.092 20 10 DGCDRN O=C(NCc1c(O)cccc1F)C1(c2cccc(F)c2)CC1 ZINC001638862866 1194741535 /nfs/dbraw/zinc/74/15/35/1194741535.db2.gz GHXNWYVURJHNAW-UHFFFAOYSA-N 0 0 303.308 3.018 20 10 DGCDRN Cc1c(C(=O)NCc2c(O)cccc2F)cnc2ccccc12 ZINC001638864092 1194741565 /nfs/dbraw/zinc/74/15/65/1194741565.db2.gz UVJVYOJKIHKBPL-UHFFFAOYSA-N 0 0 310.328 3.318 20 10 DGCDRN COc1cc(NC(=O)C2=CC(=O)CS2)c(Cl)c(OC)c1 ZINC001638982027 1194745569 /nfs/dbraw/zinc/74/55/69/1194745569.db2.gz HBNLAYJFTJFGQR-UHFFFAOYSA-N 0 0 313.762 3.377 20 10 DGCDRN CSC1(CNC(=O)c2c(F)ccc(O)c2O)CCCCC1 ZINC001639062691 1194749270 /nfs/dbraw/zinc/74/92/70/1194749270.db2.gz ZHJQMEXZTPCHJR-UHFFFAOYSA-N 0 0 313.394 3.033 20 10 DGCDRN C[C@@H]1C[C@@H](C(=O)NCc2c(O)ccc3ccccc32)CCC1=O ZINC001639384444 1194763025 /nfs/dbraw/zinc/76/30/25/1194763025.db2.gz KMANOLLMULSCHE-OCCSQVGLSA-N 0 0 311.381 3.167 20 10 DGCDRN C/C(=C/c1ccco1)C(=O)NCc1ccc2cccnc2c1O ZINC001639624596 1194774066 /nfs/dbraw/zinc/77/40/66/1194774066.db2.gz BOEQRLQDIDOAOQ-BENRWUELSA-N 0 0 308.337 3.253 20 10 DGCDRN COCc1ccccc1C(=O)NCc1ccc2cccnc2c1O ZINC001639621438 1194774282 /nfs/dbraw/zinc/77/42/82/1194774282.db2.gz DXBVWAJLFPQAEU-UHFFFAOYSA-N 0 0 322.364 3.017 20 10 DGCDRN Cc1cc(NCc2ccc3cccnc3c2O)ncc1[N+](=O)[O-] ZINC001640051123 1194793801 /nfs/dbraw/zinc/79/38/01/1194793801.db2.gz JPJCGDDFRPGSQK-UHFFFAOYSA-N 0 0 310.313 3.164 20 10 DGCDRN Oc1ccc(O)c(CNc2nc(Cl)nc3ccccc32)c1 ZINC001640355276 1194807953 /nfs/dbraw/zinc/80/79/53/1194807953.db2.gz VHORWGNGAHOHKV-UHFFFAOYSA-N 0 0 301.733 3.307 20 10 DGCDRN Cc1nc2c(cccc2NC(=O)/C=C\c2ccc(O)c(O)c2)o1 ZINC001640630010 1194822400 /nfs/dbraw/zinc/82/24/00/1194822400.db2.gz RYNUHKVSNCQYPQ-VURMDHGXSA-N 0 0 310.309 3.199 20 10 DGCDRN Cc1cc(C(=O)Nc2cc(F)ccn2)c(C)n1-c1ccccn1 ZINC001641728285 1194868611 /nfs/dbraw/zinc/86/86/11/1194868611.db2.gz FHTQAFMTGFFNNM-UHFFFAOYSA-N 0 0 310.332 3.276 20 10 DGCDRN CN(C[C@@H]1CCC[C@H](C(F)(F)F)O1)c1ccc2c(c1)OCO2 ZINC001642299632 1194900048 /nfs/dbraw/zinc/90/00/48/1194900048.db2.gz ARXSNTWEBRRQRO-SMDDNHRTSA-N 0 0 317.307 3.352 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1ccc(F)c(F)c1 ZINC001642566962 1194920276 /nfs/dbraw/zinc/92/02/76/1194920276.db2.gz GCSVEYZSSQXECC-UHFFFAOYSA-N 0 0 304.340 3.430 20 10 DGCDRN COC(=O)COc1ccc(N(C)CCc2ccc(C)cc2)cc1 ZINC001642689273 1194928638 /nfs/dbraw/zinc/92/86/38/1194928638.db2.gz NWVGJIPPBLGQHV-UHFFFAOYSA-N 0 0 313.397 3.226 20 10 DGCDRN C[C@H](NC(=O)/C=C/c1cnc2ccccc2n1)c1ccccc1O ZINC001642827802 1194944141 /nfs/dbraw/zinc/94/41/41/1194944141.db2.gz RFEGYXNUVDGGQE-NHAQELONSA-N 0 0 319.364 3.226 20 10 DGCDRN Cc1cc(C(=O)N[C@H]2C[C@@](C)(O)C2)c(C)n1-c1ccccc1C ZINC001643079716 1194966640 /nfs/dbraw/zinc/96/66/40/1194966640.db2.gz WJMRUEJSIDDFPD-GLRZTSSQSA-N 0 0 312.413 3.046 20 10 DGCDRN Oc1ccc(O)c(CNc2cc(Cl)nc(C3CCC3)n2)c1 ZINC001643130368 1194997667 /nfs/dbraw/zinc/99/76/67/1194997667.db2.gz UVMXFULUCBYDBG-UHFFFAOYSA-N 0 0 305.765 3.421 20 10 DGCDRN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1Cc2cccc(O)c2C1 ZINC001643168360 1195000382 /nfs/dbraw/zinc/00/03/82/1195000382.db2.gz AMPUQHQXSXFSSZ-UHFFFAOYSA-N 0 0 318.716 3.110 20 10 DGCDRN CCO[C@H]1C[C@H]1C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001643366521 1195018412 /nfs/dbraw/zinc/01/84/12/1195018412.db2.gz PNILOUQHUWHMSQ-MSOLQXFVSA-N 0 0 312.413 3.135 20 10 DGCDRN Cc1ccc(C(=O)NC2(c3ccccc3Cl)CC2)c(O)c1O ZINC001643463275 1195027000 /nfs/dbraw/zinc/02/70/00/1195027000.db2.gz QDTCEFKHKFPQTI-UHFFFAOYSA-N 0 0 317.772 3.479 20 10 DGCDRN C[C@H](NC(=O)[C@H](O)C1CCCCCCC1)c1ccccc1O ZINC001643745657 1195051626 /nfs/dbraw/zinc/05/16/26/1195051626.db2.gz VGAZMQFAMXWOIP-SUMWQHHRSA-N 0 0 305.418 3.291 20 10 DGCDRN C[C@@H](NC(=O)c1cccc2ccc(=O)[nH]c21)c1ccccc1O ZINC001643742019 1195051743 /nfs/dbraw/zinc/05/17/43/1195051743.db2.gz KGXCCLOMVIMMFN-LLVKDONJSA-N 0 0 308.337 3.137 20 10 DGCDRN Cc1cc(CCCC(=O)NCc2cc(O)ccc2O)c(C)s1 ZINC001643881814 1195060091 /nfs/dbraw/zinc/06/00/91/1195060091.db2.gz GNUZQIJTUKFECQ-UHFFFAOYSA-N 0 0 319.426 3.415 20 10 DGCDRN CCC(CC)(C(=O)NCc1cc(O)ccc1O)c1ccccc1 ZINC001643882295 1195060461 /nfs/dbraw/zinc/06/04/61/1195060461.db2.gz SNOUEYTWDQBGLV-UHFFFAOYSA-N 0 0 313.397 3.472 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1scnc1C1CCCC1 ZINC001643882068 1195060580 /nfs/dbraw/zinc/06/05/80/1195060580.db2.gz MHZBFCKENRUUKB-UHFFFAOYSA-N 0 0 318.398 3.142 20 10 DGCDRN C[C@@H](Sc1ccc(F)cc1)C(=O)NCc1cc(O)ccc1O ZINC001643885214 1195061444 /nfs/dbraw/zinc/06/14/44/1195061444.db2.gz NDFPFXZNVYRMGJ-SNVBAGLBSA-N 0 0 321.373 3.034 20 10 DGCDRN COc1cc(Cl)ccc1C(=O)N1Cc2cccc(O)c2C1 ZINC001644088106 1195080276 /nfs/dbraw/zinc/08/02/76/1195080276.db2.gz FRKGTLVIKNEJIK-UHFFFAOYSA-N 0 0 303.745 3.210 20 10 DGCDRN Cc1nc2ccc(C(=O)N3Cc4cccc(O)c4C3)cc2s1 ZINC001644088058 1195080420 /nfs/dbraw/zinc/08/04/20/1195080420.db2.gz DCCRBKAPDHBCDF-UHFFFAOYSA-N 0 0 310.378 3.466 20 10 DGCDRN C/C(=C\c1ccccc1Cl)C(=O)NCc1cccc(O)c1O ZINC001644710847 1195129124 /nfs/dbraw/zinc/12/91/24/1195129124.db2.gz LHGFJGIOVFWIDS-PKNBQFBNSA-N 0 0 317.772 3.471 20 10 DGCDRN O=C(CC[C@H]1CCc2ccccc21)NCc1c(O)cccc1O ZINC001645362730 1195178500 /nfs/dbraw/zinc/17/85/00/1195178500.db2.gz AOTPNDLUWNAOBZ-CQSZACIVSA-N 0 0 311.381 3.224 20 10 DGCDRN COc1ccc(C(=O)NCc2c(O)ccc3ccccc32)c(O)c1 ZINC001645441207 1195184148 /nfs/dbraw/zinc/18/41/48/1195184148.db2.gz WFLBIIWXFHZLDC-UHFFFAOYSA-N 0 0 323.348 3.190 20 10 DGCDRN CCC(C)(C)OCC(=O)NCc1c(O)ccc2ccccc21 ZINC001645443218 1195184541 /nfs/dbraw/zinc/18/45/41/1195184541.db2.gz IRBJPOXDLXXYJR-UHFFFAOYSA-N 0 0 301.386 3.367 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H](C)c2ccc(F)cc2F)c1 ZINC001645800337 1195202273 /nfs/dbraw/zinc/20/22/73/1195202273.db2.gz CECBKSCZEMWGAD-NSHDSACASA-N 0 0 305.324 3.399 20 10 DGCDRN CS[C@H](C(=O)NCc1c(O)cccc1F)c1ccccc1 ZINC001646034494 1195211719 /nfs/dbraw/zinc/21/17/19/1195211719.db2.gz KAWCOGDGTXVWCL-HNNXBMFYSA-N 0 0 305.374 3.252 20 10 DGCDRN C[C@H](N[C@@H](C)c1ccccc1O)c1nc(-c2cccnc2)no1 ZINC001648054288 1195273815 /nfs/dbraw/zinc/27/38/15/1195273815.db2.gz TUGPMXJSURWFLU-RYUDHWBXSA-N 0 0 310.357 3.249 20 10 DGCDRN CC(=O)c1ccccc1C(=O)NCc1cccc(Cl)c1O ZINC001648606321 1195313306 /nfs/dbraw/zinc/31/33/06/1195313306.db2.gz NRFXONURAFLELB-UHFFFAOYSA-N 0 0 303.745 3.178 20 10 DGCDRN Cc1cc2ccccc2n1CC(=O)N1Cc2cccc(O)c2C1 ZINC001650672772 1195370255 /nfs/dbraw/zinc/37/02/55/1195370255.db2.gz ODHHKUJYVKIJPK-UHFFFAOYSA-N 0 0 306.365 3.198 20 10 DGCDRN O=C(CCc1ccc(Cl)cc1)NCc1cccc(O)c1O ZINC001651173204 1195423801 /nfs/dbraw/zinc/42/38/01/1195423801.db2.gz UDAHDVCSEHGHAL-UHFFFAOYSA-N 0 0 305.761 3.000 20 10 DGCDRN CC[C@H](C(=O)NCc1cc(O)ccc1O)c1ccc(F)cc1 ZINC001651225473 1195428882 /nfs/dbraw/zinc/42/88/82/1195428882.db2.gz KZCXDSSMTCWHRU-HNNXBMFYSA-N 0 0 303.333 3.047 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC001651225584 1195428943 /nfs/dbraw/zinc/42/89/43/1195428943.db2.gz PPVQQKKVALEJQA-MGPQQGTHSA-N 0 0 303.402 3.321 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1[N+](=O)[O-] ZINC001651513173 1195474370 /nfs/dbraw/zinc/47/43/70/1195474370.db2.gz OIMFRTHYTKSSSE-SECBINFHSA-N 0 0 308.284 3.429 20 10 DGCDRN CC(C)COC1CN(Cc2c(O)cccc2Br)C1 ZINC001652024424 1195537946 /nfs/dbraw/zinc/53/79/46/1195537946.db2.gz FZSVFZGBYPPCPP-UHFFFAOYSA-N 0 0 314.223 3.012 20 10 DGCDRN O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cccc(F)c1[O-] ZINC001652028810 1195539093 /nfs/dbraw/zinc/53/90/93/1195539093.db2.gz ZDDRHXDZDNMXEB-UHFFFAOYSA-N 0 0 324.739 3.425 20 10 DGCDRN COC(=O)[C@@H](NCc1ccc(Cl)cc1O)c1cccs1 ZINC001652247698 1195568808 /nfs/dbraw/zinc/56/88/08/1195568808.db2.gz IOLXECWKFZJEAH-ZDUSSCGKSA-N 0 0 311.790 3.111 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@@H]1CCc2cc(F)ccc21 ZINC001652298265 1195576541 /nfs/dbraw/zinc/57/65/41/1195576541.db2.gz HWXQYPQZPYPGPE-CYBMUJFWSA-N 0 0 303.308 3.017 20 10 DGCDRN O=C(/C=C\c1ccc2[nH]ccc2c1)NCc1c(O)cccc1F ZINC001652297917 1195576756 /nfs/dbraw/zinc/57/67/56/1195576756.db2.gz BIWFNPKDKHIKDR-ALCCZGGFSA-N 0 0 310.328 3.342 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1sccc1OC(F)F ZINC001652295918 1195576984 /nfs/dbraw/zinc/57/69/84/1195576984.db2.gz VMGQYWSIAQLEDQ-UHFFFAOYSA-N 0 0 317.288 3.124 20 10 DGCDRN CCn1cc(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)c(C)n1 ZINC001652407652 1195593770 /nfs/dbraw/zinc/59/37/70/1195593770.db2.gz UTCUBHUYYRVLHH-UHFFFAOYSA-N 0 0 312.461 3.444 20 10 DGCDRN O=C(NCc1c(O)cccc1O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001652629088 1195629285 /nfs/dbraw/zinc/62/92/85/1195629285.db2.gz WDYJZYSEAOZXBM-ZIAGYGMSSA-N 0 0 315.344 3.047 20 10 DGCDRN CN(Cc1ccc2c(c1)OC(F)(F)O2)c1ccc2c(c1)OCO2 ZINC001652926211 1195672445 /nfs/dbraw/zinc/67/24/45/1195672445.db2.gz XXBAFSVSYIWUPU-UHFFFAOYSA-N 0 0 321.279 3.373 20 10 DGCDRN CN(C)c1ccc(/C=C\CN2CC(C(=O)OC(C)(C)C)C2)cc1 ZINC001653253066 1195704193 /nfs/dbraw/zinc/70/41/93/1195704193.db2.gz XPWKEBHBOOAOII-SREVYHEPSA-N 0 0 316.445 3.039 20 10 DGCDRN Cc1ncc(C(=O)NCc2ccccc2O)c(Cl)c1Cl ZINC001654256122 1195788266 /nfs/dbraw/zinc/78/82/66/1195788266.db2.gz NXCFGMHBESWFAB-UHFFFAOYSA-N 0 0 311.168 3.332 20 10 DGCDRN CCN(C)c1ccc(CN2Cc3ccccc3NC(=O)[C@@H]2C)cc1 ZINC001655029663 1195867423 /nfs/dbraw/zinc/86/74/23/1195867423.db2.gz HBZXCCORLFMZAN-HNNXBMFYSA-N 0 0 323.440 3.486 20 10 DGCDRN CCCOc1ccnc(N[C@@H](C)c2cc(OC)ccc2O)n1 ZINC001655106844 1195877210 /nfs/dbraw/zinc/87/72/10/1195877210.db2.gz GFCMAJVYBCLYBG-NSHDSACASA-N 0 0 303.362 3.153 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CC(CC(F)(F)F)C2)cc1OC ZINC001655251165 1195896227 /nfs/dbraw/zinc/89/62/27/1195896227.db2.gz YUNSHLATPFMKDC-UHFFFAOYSA-N 0 0 320.267 3.001 20 10 DGCDRN CCOc1ccc(N(CC2CC2)C[C@@H]2CCC3(COC3)O2)cc1 ZINC001655333199 1195904846 /nfs/dbraw/zinc/90/48/46/1195904846.db2.gz IBONTYKLZNDILQ-SFHVURJKSA-N 0 0 317.429 3.250 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCOc1cccc(Cl)c1 ZINC001655373753 1195909579 /nfs/dbraw/zinc/90/95/79/1195909579.db2.gz NZQIEALEICCSNB-UHFFFAOYSA-N 0 0 313.731 3.492 20 10 DGCDRN CCOc1nc(NCc2cc(Cl)ccc2O)ncc1Cl ZINC001655646682 1195944608 /nfs/dbraw/zinc/94/46/08/1195944608.db2.gz GGIADUBSTUIBEX-UHFFFAOYSA-N 0 0 314.172 3.500 20 10 DGCDRN CC(C)c1nnc([C@@H](C)NCc2ccc(N3CCCC3)cc2)[nH]1 ZINC001656040830 1195991689 /nfs/dbraw/zinc/99/16/89/1195991689.db2.gz KVZGRNIGJPXRLA-CQSZACIVSA-N 0 0 313.449 3.379 20 10 DGCDRN CN(C)c1ccc(/C=C/CNc2cccc(N(C)C(N)=O)c2)cc1 ZINC001656181913 1196014714 /nfs/dbraw/zinc/01/47/14/1196014714.db2.gz NCHIEOLBGQIMSD-AATRIKPKSA-N 0 0 324.428 3.393 20 10 DGCDRN CC(C)[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@@H](CO)C(C)C ZINC001656291406 1196026809 /nfs/dbraw/zinc/02/68/09/1196026809.db2.gz DLXDRLDMQZDIRH-DZGCQCFKSA-N 0 0 301.377 3.049 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1ccc2nonc2c1 ZINC001657099828 1196105554 /nfs/dbraw/zinc/10/55/54/1196105554.db2.gz UBLVPCGEPSAXAX-UHFFFAOYSA-N 0 0 307.712 3.011 20 10 DGCDRN CN(C)c1ccc(/C=C/CNc2ccc3c(c2)oc(=O)n3C)cc1 ZINC001657485379 1196147664 /nfs/dbraw/zinc/14/76/64/1196147664.db2.gz WAXYMEIWYZOBRB-SNAWJCMRSA-N 0 0 323.396 3.323 20 10 DGCDRN C/C=C\C[C@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)OCC ZINC001657997670 1196200717 /nfs/dbraw/zinc/20/07/17/1196200717.db2.gz YAMIJKTYDIMBRB-JSVDLMAESA-N 0 0 316.445 3.253 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H](CO)CCc1ccccc1 ZINC001658021898 1196203276 /nfs/dbraw/zinc/20/32/76/1196203276.db2.gz JHOKPEOLBLFUOS-OAHLLOKOSA-N 0 0 323.795 3.268 20 10 DGCDRN C[C@H](COCC1CCCCC1)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001658644191 1196284548 /nfs/dbraw/zinc/28/45/48/1196284548.db2.gz MUHRGYUQKFAXGP-CYBMUJFWSA-N 0 0 322.405 3.375 20 10 DGCDRN COC[C@@H](C[NH2+]Cc1c(O)cccc1Br)C(C)C ZINC001658664940 1196286485 /nfs/dbraw/zinc/28/64/85/1196286485.db2.gz YTCIUNOPHXQSCL-LLVKDONJSA-N 0 0 316.239 3.163 20 10 DGCDRN CCN(C)c1ccc(CN2CCCc3cc(OC)ccc32)cn1 ZINC001658788345 1196300968 /nfs/dbraw/zinc/30/09/68/1196300968.db2.gz QBWOCIAZMGUUBN-UHFFFAOYSA-N 0 0 311.429 3.499 20 10 DGCDRN CN(C)C(=O)c1ccc(NCc2ccc(Cl)cc2O)cc1 ZINC001659036738 1196335743 /nfs/dbraw/zinc/33/57/43/1196335743.db2.gz LVOTXTPFPOGUGU-UHFFFAOYSA-N 0 0 304.777 3.360 20 10 DGCDRN C[NH+](C)CC(C)(C)C[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC001659048589 1196337366 /nfs/dbraw/zinc/33/73/66/1196337366.db2.gz WJTDFWOSQXIGGN-UHFFFAOYSA-N 0 0 302.821 3.204 20 10 DGCDRN CNc1ccccc1C[NH2+]Cc1cccc(Br)c1[O-] ZINC001659106606 1196345208 /nfs/dbraw/zinc/34/52/08/1196345208.db2.gz NWNLLIMQLFAABA-UHFFFAOYSA-N 0 0 321.218 3.486 20 10 DGCDRN CCCN(CC[NH+]1CCCC1)Cc1c([O-])ccc(Cl)c1F ZINC001659175655 1196355577 /nfs/dbraw/zinc/35/55/77/1196355577.db2.gz OHBOABSHUBHCQH-UHFFFAOYSA-N 0 0 314.832 3.493 20 10 DGCDRN COc1ccc2c(c1)CCCCN2Cc1nn(C)cc1Cl ZINC001659359674 1196374113 /nfs/dbraw/zinc/37/41/13/1196374113.db2.gz IYIACJLTDSEMOE-UHFFFAOYSA-N 0 0 305.809 3.425 20 10 DGCDRN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1cccc(F)c1[O-] ZINC001659483784 1196387928 /nfs/dbraw/zinc/38/79/28/1196387928.db2.gz MULRTKCFTAWZKS-OCCSQVGLSA-N 0 0 323.408 3.474 20 10 DGCDRN OCCN(Cc1c(O)cccc1Br)c1ccccc1 ZINC001659493994 1196388763 /nfs/dbraw/zinc/38/87/63/1196388763.db2.gz LPSDCAIADBSDBD-UHFFFAOYSA-N 0 0 322.202 3.154 20 10 DGCDRN CC[C@@H](C)C[C@@H](NCc1cc(Cl)c(C)cc1O)C(=O)OC ZINC001659531604 1196392662 /nfs/dbraw/zinc/39/26/62/1196392662.db2.gz HZGXGZYRUKLVJY-QMTHXVAHSA-N 0 0 313.825 3.421 20 10 DGCDRN CN(c1ccccc1)[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC001659748191 1196411072 /nfs/dbraw/zinc/41/10/72/1196411072.db2.gz HECOFSCFRWQEQB-INIZCTEOSA-N 0 0 318.367 3.381 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC001659878048 1196424255 /nfs/dbraw/zinc/42/42/55/1196424255.db2.gz MDNTZPIKYJHYAQ-OAHLLOKOSA-N 0 0 313.731 3.147 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC001660007338 1196437196 /nfs/dbraw/zinc/43/71/96/1196437196.db2.gz VVSSJTIIVUDUIS-XJKSGUPXSA-N 0 0 311.372 3.043 20 10 DGCDRN COc1ccc(N(C)Cc2cc3c(cc2OC)OCO3)cc1 ZINC001660194561 1196456051 /nfs/dbraw/zinc/45/60/51/1196456051.db2.gz JIIAGYGMCBEFTA-UHFFFAOYSA-N 0 0 301.342 3.069 20 10 DGCDRN CCNC(=O)c1cccc(NCc2ccc(N(C)C)c(F)c2)c1 ZINC001661723842 1196636621 /nfs/dbraw/zinc/63/66/21/1196636621.db2.gz LUNWIAPPNMPLFY-UHFFFAOYSA-N 0 0 315.392 3.254 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC001662304547 1196705030 /nfs/dbraw/zinc/70/50/30/1196705030.db2.gz RLKXFYOTQRJCLD-CQSZACIVSA-N 0 0 305.324 3.154 20 10 DGCDRN CN(C)c1ccc(CNCc2noc3ccc(F)cc23)cc1F ZINC001663100298 1196791792 /nfs/dbraw/zinc/79/17/92/1196791792.db2.gz VNNYPDYORZHGSG-UHFFFAOYSA-N 0 0 317.339 3.462 20 10 DGCDRN CN(Cc1cc2n(n1)CCC2)Cc1ccc(N2CCCC2)cc1 ZINC001664627155 1197023263 /nfs/dbraw/zinc/02/32/63/1197023263.db2.gz MKVJTZHSCAQGFY-UHFFFAOYSA-N 0 0 310.445 3.062 20 10 DGCDRN C=COc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)cc1 ZINC001664970238 1197083411 /nfs/dbraw/zinc/08/34/11/1197083411.db2.gz JQMICPJVENGYBL-UHFFFAOYSA-N 0 0 316.313 3.443 20 10 DGCDRN Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccc(Cl)cc2[O-])cn1 ZINC001665269858 1197116936 /nfs/dbraw/zinc/11/69/36/1197116936.db2.gz NJFVNISZZQXTMO-XJKSGUPXSA-N 0 0 319.836 3.280 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2c(F)cc(F)cc2F)c1 ZINC001667573261 1197363840 /nfs/dbraw/zinc/36/38/40/1197363840.db2.gz XLGSMYSCSWZEAM-UHFFFAOYSA-N 0 0 310.275 3.440 20 10 DGCDRN CC[C@@H](C)c1ncc(NC(=O)NCc2c(O)cccc2F)cn1 ZINC001669299811 1197447702 /nfs/dbraw/zinc/44/77/02/1197447702.db2.gz NEBZJTZZCVEIQX-SNVBAGLBSA-N 0 0 318.352 3.157 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1F)c1ccc(N(C)C)cc1 ZINC001671852436 1197575542 /nfs/dbraw/zinc/57/55/42/1197575542.db2.gz YJSYARNLRZXPHB-VBNZEHGJSA-N 0 0 307.413 3.394 20 10 DGCDRN C[C@H](NC(=O)NCCc1c(F)cccc1F)c1ccccc1O ZINC001675529117 1198085487 /nfs/dbraw/zinc/08/54/87/1198085487.db2.gz YXKKJSDXLAKIQE-NSHDSACASA-N 0 0 320.339 3.273 20 10 DGCDRN Cc1ccsc1CNC(=O)NCc1cc(Cl)ccc1O ZINC001676175332 1198242754 /nfs/dbraw/zinc/24/27/54/1198242754.db2.gz SUKVSESYKPPOIS-UHFFFAOYSA-N 0 0 310.806 3.415 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC(C)(C)/C=C/Cl)cc1F ZINC001677946860 1198609692 /nfs/dbraw/zinc/60/96/92/1198609692.db2.gz CTZPAUCMQROKLS-BQYQJAHWSA-N 0 0 313.804 3.222 20 10 DGCDRN CC1(C)C[C@@]1(C)CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC001677951258 1198610510 /nfs/dbraw/zinc/61/05/10/1198610510.db2.gz IHNZGKGSIZKVNI-IBGZPJMESA-N 0 0 313.445 3.298 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2cncc(Cl)c2C)c1 ZINC001678077159 1198631264 /nfs/dbraw/zinc/63/12/64/1198631264.db2.gz XPMKRPVYDBNATE-UHFFFAOYSA-N 0 0 305.765 3.379 20 10 DGCDRN Cc1cnc2ccccc2c1NC(=O)N(C)Cc1ccccc1O ZINC001678118911 1198636333 /nfs/dbraw/zinc/63/63/33/1198636333.db2.gz LYRGGMRTXFPXJT-UHFFFAOYSA-N 0 0 321.380 3.335 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CCC[C@H]1C ZINC001678493353 1198690298 /nfs/dbraw/zinc/69/02/98/1198690298.db2.gz KCDBMHXORJZYSM-XUWXXGDYSA-N 0 0 317.477 3.480 20 10 DGCDRN O=C(Nc1ccn(-c2ccccc2)n1)N1Cc2cccc(O)c2C1 ZINC001679387679 1198789754 /nfs/dbraw/zinc/78/97/54/1198789754.db2.gz SQJBDOFCEJOJFQ-UHFFFAOYSA-N 0 0 320.352 3.126 20 10 DGCDRN Cc1cn2ccc(NC(=O)NCc3ccc(N(C)C)cc3)cc2n1 ZINC001679404980 1198790258 /nfs/dbraw/zinc/79/02/58/1198790258.db2.gz OLGGUCZTDMSRHI-UHFFFAOYSA-N 0 0 323.400 3.030 20 10 DGCDRN CC[C@@H]1CCN(C(=O)NCCCSc2nccs2)[C@H]1C ZINC001680425355 1198879847 /nfs/dbraw/zinc/87/98/47/1198879847.db2.gz XXNJJVXJSIEJHJ-NWDGAFQWSA-N 0 0 313.492 3.455 20 10 DGCDRN O=C(NCCc1ccc(Cl)cc1)NCc1c(O)cccc1F ZINC001681494793 1199017481 /nfs/dbraw/zinc/01/74/81/1199017481.db2.gz CFKIPNPXELTWSW-UHFFFAOYSA-N 0 0 322.767 3.227 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CC[C@@H]2C2CCCC2)cc1 ZINC001682351338 1199153855 /nfs/dbraw/zinc/15/38/55/1199153855.db2.gz YZFCZFUQWPQWHQ-QGZVFWFLSA-N 0 0 301.434 3.227 20 10 DGCDRN COc1cccc(CNC(=O)NCC2C[C@@H](C)C[C@H](C)C2)c1O ZINC001682577659 1199173551 /nfs/dbraw/zinc/17/35/51/1199173551.db2.gz DFIYAERAPFPPFZ-STQMWFEESA-N 0 0 320.433 3.272 20 10 DGCDRN CC[C@@H](NC(=O)NCc1c(O)cccc1F)c1ccccc1 ZINC001683401034 1199267997 /nfs/dbraw/zinc/26/79/97/1199267997.db2.gz RHFSUFGUOIXTTA-OAHLLOKOSA-N 0 0 302.349 3.482 20 10 DGCDRN Cc1ccccc1CCNC(=O)NCc1cccc(Cl)c1O ZINC001685375403 1199470244 /nfs/dbraw/zinc/47/02/44/1199470244.db2.gz CSLBOEVGEGPEJR-UHFFFAOYSA-N 0 0 318.804 3.396 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)NCC12CCC(CC1)C2 ZINC001685963067 1199521981 /nfs/dbraw/zinc/52/19/81/1199521981.db2.gz ZCGOPOXXDHBQQN-UHFFFAOYSA-N 0 0 308.809 3.425 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC1CC=CC1 ZINC001686826999 1199592736 /nfs/dbraw/zinc/59/27/36/1199592736.db2.gz UPNCYWAFMBGDFU-HNNXBMFYSA-N 0 0 315.461 3.257 20 10 DGCDRN CN1CCCc2cc(C[N@@H+]3CCc4c(N)cccc4C3)ccc21 ZINC000320929198 1199849976 /nfs/dbraw/zinc/84/99/76/1199849976.db2.gz DRLRGGYKRGWKEF-UHFFFAOYSA-N 0 0 307.441 3.210 20 10 DGCDRN CC/C=C/Cn1c(CC)nnc1N(C)Cc1ccccc1O ZINC001694997296 1201115669 /nfs/dbraw/zinc/11/56/69/1201115669.db2.gz OWGFSFWNBRRASZ-RMKNXTFCSA-N 0 0 300.406 3.149 20 10 DGCDRN CN(C)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000242757698 1203573146 /nfs/dbraw/zinc/57/31/46/1203573146.db2.gz DKOAGKIEDBGAJZ-UHFFFAOYSA-N 0 0 310.806 3.207 20 10 DGCDRN CCCN(CC)c1nnc(C)n1Cc1ccc(N(C)C)cc1C ZINC001728098376 1204321724 /nfs/dbraw/zinc/32/17/24/1204321724.db2.gz CZMVIDQMWJNSHP-UHFFFAOYSA-N 0 0 315.465 3.246 20 10 DGCDRN CCc1cccc(C[NH2+][C@H]2C[C@H](C(=O)[O-])c3ccccc32)c1O ZINC001593642728 953664175 /nfs/dbraw/zinc/66/41/75/953664175.db2.gz UXTBVUBIKVVAPQ-IRXDYDNUSA-N 0 0 311.381 3.357 20 10 DGCDRN O=C([O-])[C@@H]([NH2+]Cc1ccc(Cl)cc1O)c1ccc(F)cc1 ZINC001594842244 954088635 /nfs/dbraw/zinc/08/86/35/954088635.db2.gz BGLYTVNAYOAPQC-AWEZNQCLSA-N 0 0 309.724 3.100 20 10 DGCDRN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C1CCC(C(=O)[O-])CC1 ZINC000316409343 967980164 /nfs/dbraw/zinc/98/01/64/967980164.db2.gz YXXSJHTVZWECIR-RYSNWHEDSA-N 0 0 303.402 3.482 20 10 DGCDRN CC(C)c1ccc(O)c(C[NH2+][C@@H](CC(F)(F)F)C(=O)[O-])c1 ZINC001591973917 976582741 /nfs/dbraw/zinc/58/27/41/976582741.db2.gz JOPHUHPAPYFOAI-NSHDSACASA-N 0 0 305.296 3.011 20 10 DGCDRN CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CC[C@@H](CC(=O)[O-])[C@@H]1C ZINC001595894626 982931555 /nfs/dbraw/zinc/93/15/55/982931555.db2.gz NYOTYPULDRPMDH-JLJPHGGASA-N 0 0 304.434 3.251 20 10 DGCDRN CCOc1ccc(C[N@H+](C)Cc2cc(C(=O)[O-])c(C)o2)c(O)c1 ZINC001597100132 986703117 /nfs/dbraw/zinc/70/31/17/986703117.db2.gz BPYWPSWDTUTZIT-UHFFFAOYSA-N 0 0 319.357 3.023 20 10 DGCDRN C[N@H+](Cc1ccccc1O)Cc1cc(C(=O)[O-])ccc1Cl ZINC001598530410 992771776 /nfs/dbraw/zinc/77/17/76/992771776.db2.gz FKEDLHOSNUZFOB-UHFFFAOYSA-N 0 0 305.761 3.376 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCCC12CCOCC2)c1cc(C(=O)[O-])ccc1O ZINC001593225806 994348948 /nfs/dbraw/zinc/34/89/48/994348948.db2.gz YJQAKCYUCLTLPA-BLLLJJGKSA-N 0 0 319.401 3.090 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1ncc(C(=O)[O-])s1 ZINC001593293276 994682496 /nfs/dbraw/zinc/68/24/96/994682496.db2.gz SYFDRZBIOJOGNU-SSDOTTSWSA-N 0 0 312.778 3.051 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc2ncccc2c1)c1cc(C(=O)[O-])ccc1O ZINC001593304273 994744066 /nfs/dbraw/zinc/74/40/66/994744066.db2.gz KIROARJATOVXRX-GFCCVEGCSA-N 0 0 322.364 3.489 20 10 DGCDRN COc1cc(C[N@@H+](CC(=O)[O-])CC(C)C)c(O)c(C(C)(C)C)c1 ZINC001599406022 997302467 /nfs/dbraw/zinc/30/24/67/997302467.db2.gz RACJOHTVGVHYDS-UHFFFAOYSA-N 0 0 323.433 3.241 20 10 DGCDRN CCc1ccc(NCc2cc(Br)ccc2O)nn1 ZINC001160019787 1088603515 /nfs/dbraw/zinc/60/35/15/1088603515.db2.gz UZJLWAWHGCNSNM-UHFFFAOYSA-N 0 0 308.179 3.119 20 10 DGCDRN C[N@H+](Cc1cc(Cl)cc(Br)c1[O-])C1(C)COC1 ZINC001141372867 1092220266 /nfs/dbraw/zinc/22/02/66/1092220266.db2.gz APQIMQQNAVIPET-UHFFFAOYSA-N 0 0 320.614 3.029 20 10 DGCDRN C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1c([O-])ccc(Cl)c1Cl ZINC001237078314 1099957821 /nfs/dbraw/zinc/95/78/21/1099957821.db2.gz PKKASFPHFNZABD-NXEZZACHSA-N 0 0 304.217 3.292 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000687288330 1103090742 /nfs/dbraw/zinc/09/07/42/1103090742.db2.gz AGGGXVVYXBEJKI-NSHDSACASA-N 0 0 309.715 3.199 20 10 DGCDRN O=S(=O)(Cc1ccccc1F)Nc1ccc(O)c(Cl)c1 ZINC000396456671 1081573631 /nfs/dbraw/zinc/57/36/31/1081573631.db2.gz HMYAGUCTOLEZNX-UHFFFAOYSA-N 0 0 315.753 3.127 20 10 DGCDRN CNc1ccccc1NC[C@@H]1CC(=O)Nc2cc(OC)ccc21 ZINC001169924543 1081682013 /nfs/dbraw/zinc/68/20/13/1081682013.db2.gz NFRNLOFLELPXMO-LBPRGKRZSA-N 0 0 311.385 3.275 20 10 DGCDRN Oc1ccc(CNc2csc3c2ncnc3Cl)cc1O ZINC001169991071 1081793262 /nfs/dbraw/zinc/79/32/62/1081793262.db2.gz XVZIQPFSXGMGFA-UHFFFAOYSA-N 0 0 307.762 3.368 20 10 DGCDRN CC(C)(C)OC(=O)c1cccc(NCc2ccc(O)c(O)c2)n1 ZINC001169990828 1081793948 /nfs/dbraw/zinc/79/39/48/1081793948.db2.gz QCQIDHDFSALDDB-UHFFFAOYSA-N 0 0 316.357 3.060 20 10 DGCDRN Oc1ccc(CNc2ncc3cccc(Cl)c3n2)cc1O ZINC001169993770 1081807591 /nfs/dbraw/zinc/80/75/91/1081807591.db2.gz RFDNKXGCAXALEK-UHFFFAOYSA-N 0 0 301.733 3.307 20 10 DGCDRN COc1ccc(-c2cnc(NCc3ccc(O)c(O)c3)nc2)cc1 ZINC001169994003 1081811291 /nfs/dbraw/zinc/81/12/91/1081811291.db2.gz XBCPYOMVFPDSEA-UHFFFAOYSA-N 0 0 323.352 3.176 20 10 DGCDRN Oc1ccc(CNc2ccc3c4c(ccnc24)CCO3)cc1O ZINC001169996678 1081819490 /nfs/dbraw/zinc/81/94/90/1081819490.db2.gz GIYRQFDHAXDYEP-UHFFFAOYSA-N 0 0 308.337 3.193 20 10 DGCDRN Cc1ccc(CN(C)Cc2c(O)cccc2Br)cn1 ZINC001140103617 1081842444 /nfs/dbraw/zinc/84/24/44/1081842444.db2.gz RBRAEAXERZNGQE-UHFFFAOYSA-N 0 0 321.218 3.490 20 10 DGCDRN Nc1ccc(OC(=O)c2ccc(Nc3ccnnc3)cc2)cc1 ZINC001209960655 1081845002 /nfs/dbraw/zinc/84/50/02/1081845002.db2.gz IGYLPLZHWVTUFC-UHFFFAOYSA-N 0 0 306.325 3.022 20 10 DGCDRN O=C(CCSCc1ccccc1)NCc1c(O)cccc1O ZINC001156886148 1081905527 /nfs/dbraw/zinc/90/55/27/1081905527.db2.gz UPJYZGJMNQRUCR-UHFFFAOYSA-N 0 0 317.410 3.038 20 10 DGCDRN CNc1cc(Cl)ccc1C(=O)NCc1cc(C)ccc1O ZINC001167293435 1081913447 /nfs/dbraw/zinc/91/34/47/1081913447.db2.gz CXDSXOMKHCYAEO-UHFFFAOYSA-N 0 0 304.777 3.326 20 10 DGCDRN Cc1c(CC(=O)N[C@@H](C)c2ccccc2O)cccc1[N+](=O)[O-] ZINC001648891535 1081955597 /nfs/dbraw/zinc/95/55/97/1081955597.db2.gz ASOGRPBHUQMKJP-LBPRGKRZSA-N 0 0 314.341 3.029 20 10 DGCDRN C[C@@H](c1ccccc1F)N(C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588404381 1082148422 /nfs/dbraw/zinc/14/84/22/1082148422.db2.gz OZXKCLTYDYBWQV-CUZBXDDWSA-N 0 0 315.344 3.470 20 10 DGCDRN Cn1ccc2ccc(NC(=O)/C=C\c3ccc(O)c(O)c3)cc21 ZINC000588406148 1082152750 /nfs/dbraw/zinc/15/27/50/1082152750.db2.gz QAPOZHZLRRFXEH-CLTKARDFSA-N 0 0 308.337 3.241 20 10 DGCDRN CC[C@@H](Cc1ccccc1)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588408261 1082163000 /nfs/dbraw/zinc/16/30/00/1082163000.db2.gz YYYISXAENWROLV-SLWQEBJJSA-N 0 0 311.381 3.249 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCc2cc(F)ccc21 ZINC000588408147 1082163378 /nfs/dbraw/zinc/16/33/78/1082163378.db2.gz VLCVBQREUCCNPK-HTUWBFOXSA-N 0 0 313.328 3.054 20 10 DGCDRN COc1cc(F)c(F)cc1CN1CCc2cccc(O)c2C1 ZINC001143399668 1082247774 /nfs/dbraw/zinc/24/77/74/1082247774.db2.gz BFLRKOUAWDENDG-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN O=C(CNc1ccnc2c(F)cccc12)c1ccc(O)c(O)c1 ZINC001170321650 1082344803 /nfs/dbraw/zinc/34/48/03/1082344803.db2.gz BPADGKHISPDKBE-UHFFFAOYSA-N 0 0 312.300 3.080 20 10 DGCDRN O=C(CNc1ncccc1-c1ccccc1)c1ccc(O)c(O)c1 ZINC001170316780 1082345384 /nfs/dbraw/zinc/34/53/84/1082345384.db2.gz NYZZBSOTYOCZMI-UHFFFAOYSA-N 0 0 320.348 3.455 20 10 DGCDRN Cc1nc2c(cccc2NCC(=O)c2ccc(O)c(O)c2)s1 ZINC001170323018 1082346714 /nfs/dbraw/zinc/34/67/14/1082346714.db2.gz TXVRTNAWBRUBMM-UHFFFAOYSA-N 0 0 314.366 3.311 20 10 DGCDRN CN(CC[NH2+]Cc1cc(Cl)cc(F)c1[O-])Cc1ccccc1 ZINC001648914339 1082389490 /nfs/dbraw/zinc/38/94/90/1082389490.db2.gz SIXLBVCRNDQNNU-UHFFFAOYSA-N 0 0 322.811 3.406 20 10 DGCDRN Cc1ncsc1/C=C\C(=O)N1CCN(C)c2cc(F)ccc21 ZINC000588518660 1082538769 /nfs/dbraw/zinc/53/87/69/1082538769.db2.gz VAABWBPXEAHDNJ-WAYWQWQTSA-N 0 0 317.389 3.087 20 10 DGCDRN Cc1ncsc1/C=C\C(=O)N1CCOc2cc(C)ccc21 ZINC000588519056 1082539591 /nfs/dbraw/zinc/53/95/91/1082539591.db2.gz BGQGGQQYAVUMGM-WAYWQWQTSA-N 0 0 300.383 3.199 20 10 DGCDRN Cc1cncc(/C=C/C(=O)N2CCOc3cc(F)c(F)cc32)c1 ZINC001130408033 1082577577 /nfs/dbraw/zinc/57/75/77/1082577577.db2.gz OHBRNQWSCFLHGZ-NSCUHMNNSA-N 0 0 316.307 3.107 20 10 DGCDRN CCC[C@@H](CC)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001130547797 1082590806 /nfs/dbraw/zinc/59/08/06/1082590806.db2.gz PWYSJYAXLWNWSZ-OAHLLOKOSA-N 0 0 306.450 3.416 20 10 DGCDRN COC[C@@H](C)CC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001132048245 1082806259 /nfs/dbraw/zinc/80/62/59/1082806259.db2.gz NXENHNRDPXBVQL-AWEZNQCLSA-N 0 0 314.429 3.383 20 10 DGCDRN Oc1cccc2c1CN(Cc1cnccc1C(F)(F)F)CC2 ZINC001140919739 1083181050 /nfs/dbraw/zinc/18/10/50/1083181050.db2.gz BDQARHHJPVHPBG-UHFFFAOYSA-N 0 0 308.303 3.364 20 10 DGCDRN CC1(C)OC[C@H](CN2CCCc3cc(OC(F)F)ccc32)O1 ZINC001167717193 1083246296 /nfs/dbraw/zinc/24/62/96/1083246296.db2.gz MZPJSQVILDVIJG-ZDUSSCGKSA-N 0 0 313.344 3.192 20 10 DGCDRN CCCCC[C@H](NCc1ccc2c(c1)CCCO2)C(=O)OC ZINC001180961475 1083376739 /nfs/dbraw/zinc/37/67/39/1083376739.db2.gz CNTRDEJGLCNJKF-INIZCTEOSA-N 0 0 305.418 3.223 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]CCc1ccc2[nH]ccc2c1 ZINC001181154977 1083421015 /nfs/dbraw/zinc/42/10/15/1083421015.db2.gz XMCGEWIOQARDDG-UHFFFAOYSA-N 0 0 302.324 3.484 20 10 DGCDRN CC1(C)C[C@@H]1C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001181300009 1083444237 /nfs/dbraw/zinc/44/42/37/1083444237.db2.gz ISZQOLHIQWHRKI-LLVKDONJSA-N 0 0 304.777 3.256 20 10 DGCDRN COc1cc(C)c(CNc2ccc3ccc(=O)n(C)c3c2)c(O)c1 ZINC001181257893 1083446589 /nfs/dbraw/zinc/44/65/89/1083446589.db2.gz VNUQNWIVAFKLGL-UHFFFAOYSA-N 0 0 324.380 3.173 20 10 DGCDRN Cc1cc(C)c(CNC(=O)Cc2cc(C)cc(F)c2)c(O)c1 ZINC001181648726 1083505488 /nfs/dbraw/zinc/50/54/88/1083505488.db2.gz SSXBDBWVGWVBDU-UHFFFAOYSA-N 0 0 301.361 3.315 20 10 DGCDRN CO[C@H](C[NH2+]Cc1cc(F)c(F)cc1[O-])Cc1ccccc1 ZINC001181901104 1083576061 /nfs/dbraw/zinc/57/60/61/1083576061.db2.gz PTWHQUUUBXXXRP-AWEZNQCLSA-N 0 0 307.340 3.018 20 10 DGCDRN Cc1ccc(CCCNC(=O)CCc2ccc(O)c(O)c2)s1 ZINC001182155644 1083634338 /nfs/dbraw/zinc/63/43/38/1083634338.db2.gz KWEGSSOPUDAABJ-UHFFFAOYSA-N 0 0 319.426 3.149 20 10 DGCDRN CC(C)(CNC(=O)CCc1ccc(O)c(O)c1)c1ccccc1 ZINC001182155920 1083635859 /nfs/dbraw/zinc/63/58/59/1083635859.db2.gz WEUKVIQUWMXMLE-UHFFFAOYSA-N 0 0 313.397 3.124 20 10 DGCDRN O=C([C@@H]1C[C@@H]1c1ccccc1F)N1CCc2cccc(O)c2C1 ZINC001182283141 1083670535 /nfs/dbraw/zinc/67/05/35/1083670535.db2.gz BIBYMUGLEMUINI-HUUCEWRRSA-N 0 0 311.356 3.220 20 10 DGCDRN O=C([C@H]1C[C@H]1c1ccccc1F)N1CCc2cccc(O)c2C1 ZINC001182283139 1083670546 /nfs/dbraw/zinc/67/05/46/1083670546.db2.gz BIBYMUGLEMUINI-GJZGRUSLSA-N 0 0 311.356 3.220 20 10 DGCDRN CC(C)N1CC[C@H]1C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001182852389 1083820250 /nfs/dbraw/zinc/82/02/50/1083820250.db2.gz VHLLEGHGINUKCZ-IBGZPJMESA-N 0 0 323.440 3.285 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC001182918253 1083840342 /nfs/dbraw/zinc/84/03/42/1083840342.db2.gz KVSSKGPCVFLKNW-YVEFUNNKSA-N 0 0 311.372 3.452 20 10 DGCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)CC(F)F ZINC001182961183 1083845179 /nfs/dbraw/zinc/84/51/79/1083845179.db2.gz JKWRZGBJFAIMAN-JHXMPBJLSA-N 0 0 305.288 3.261 20 10 DGCDRN CCOC(=O)C(CC)(CC)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001183197668 1083895570 /nfs/dbraw/zinc/89/55/70/1083895570.db2.gz ZNJFESIUBSMEJX-UHFFFAOYSA-N 0 0 315.360 3.130 20 10 DGCDRN Cc1cccc(C)c1NC1=NC(=O)C(=Cc2csnn2)S1 ZINC000207696452 1083905227 /nfs/dbraw/zinc/90/52/27/1083905227.db2.gz DUWNYKIDMAPDQG-WDZFZDKYSA-N 0 0 316.411 3.237 20 10 DGCDRN O=C1CC[C@@H](c2ccccc2NCc2cc(F)cc(F)c2O)N1 ZINC001183597122 1083984488 /nfs/dbraw/zinc/98/44/88/1083984488.db2.gz ISHVJZOJDYWGEH-HNNXBMFYSA-N 0 0 318.323 3.234 20 10 DGCDRN C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1O ZINC001184140147 1084105928 /nfs/dbraw/zinc/10/59/28/1084105928.db2.gz CVWJGXZJFURLGX-VIFPVBQESA-N 0 0 320.732 3.445 20 10 DGCDRN CC(C)CC(=O)C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001184330647 1084161111 /nfs/dbraw/zinc/16/11/11/1084161111.db2.gz SBRHHNQUMGKYMH-UHFFFAOYSA-N 0 0 310.397 3.417 20 10 DGCDRN CN(C)c1ccc([C@H](O)c2nc(-c3ccccc3F)no2)cc1 ZINC001211701096 1084224178 /nfs/dbraw/zinc/22/41/78/1084224178.db2.gz JRTYAFZNFPWMLY-HNNXBMFYSA-N 0 0 313.332 3.023 20 10 DGCDRN CCc1cccc(-c2noc([C@@H](O)c3ccc(N(C)C)cc3)n2)c1 ZINC001211704080 1084283496 /nfs/dbraw/zinc/28/34/96/1084283496.db2.gz MQUZPEPURBSNMB-KRWDZBQOSA-N 0 0 323.396 3.447 20 10 DGCDRN O=C(c1ncccc1C1CCC1)N1CCc2cccc(O)c2C1 ZINC001185266425 1084396458 /nfs/dbraw/zinc/39/64/58/1084396458.db2.gz UYLBVLQYLBBHKV-UHFFFAOYSA-N 0 0 308.381 3.253 20 10 DGCDRN C=Cc1ccc(C(=O)N2CCCc3cc(O)c(O)cc3C2)cc1 ZINC001186512430 1084660570 /nfs/dbraw/zinc/66/05/70/1084660570.db2.gz GZEFOCBFEVJGQI-UHFFFAOYSA-N 0 0 309.365 3.329 20 10 DGCDRN CCOc1cc(NCc2ccc3cccnc3c2O)nc(C)n1 ZINC001186757329 1084697106 /nfs/dbraw/zinc/69/71/06/1084697106.db2.gz RVVQOEKBOUUXDX-UHFFFAOYSA-N 0 0 310.357 3.050 20 10 DGCDRN Cc1cc(C)c(CNC(=O)[C@H]2C[C@@H]2C(=O)c2ccccc2)c(O)c1 ZINC001187229131 1084771057 /nfs/dbraw/zinc/77/10/57/1084771057.db2.gz JRFZUXCSPVKCQN-HOTGVXAUSA-N 0 0 323.392 3.144 20 10 DGCDRN CCC[C@@H](C)[C@H](Oc1c(O)c(O)c(O)c(O)c1O)C(C)C ZINC001226467682 1086089889 /nfs/dbraw/zinc/08/98/89/1086089889.db2.gz JANCGRFFXHBYNA-XLKFXECMSA-N 0 0 300.351 3.054 20 10 DGCDRN Oc1cc(O)c(CCNc2ccc(-c3ccno3)cc2)cc1O ZINC001168005318 1086146766 /nfs/dbraw/zinc/14/67/66/1086146766.db2.gz FKWPWMQULYOTNL-UHFFFAOYSA-N 0 0 312.325 3.113 20 10 DGCDRN Cc1ccc(NCCc2cc(O)c(O)cc2O)c2ncccc12 ZINC001168005903 1086150660 /nfs/dbraw/zinc/15/06/60/1086150660.db2.gz OWXCECXIDIIJSD-UHFFFAOYSA-N 0 0 310.353 3.315 20 10 DGCDRN C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c3cccnc3c2[O-])CCO1 ZINC001168079076 1086746758 /nfs/dbraw/zinc/74/67/58/1086746758.db2.gz OLAVPZSHPSEZTN-CMPLNLGQSA-N 0 0 306.793 3.251 20 10 DGCDRN COc1ccc2c(c1)CCCCN2C[C@H](O)Cc1ccccc1 ZINC001168243036 1087069871 /nfs/dbraw/zinc/06/98/71/1087069871.db2.gz AMFFTAGDCNTIDL-GOSISDBHSA-N 0 0 311.425 3.442 20 10 DGCDRN C[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])N1CCc2ccccc21 ZINC001648999063 1087322857 /nfs/dbraw/zinc/32/28/57/1087322857.db2.gz KPCBJFVESMTHKP-GFCCVEGCSA-N 0 0 318.367 3.211 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@H+]1CCCC[C@@](O)(C(F)(F)F)C1 ZINC001231909728 1087575834 /nfs/dbraw/zinc/57/58/34/1087575834.db2.gz ICOHDKXCNNHIME-ZDUSSCGKSA-N 0 0 323.742 3.325 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2cccc(Cl)n2)cc1 ZINC000176396192 1087722545 /nfs/dbraw/zinc/72/25/45/1087722545.db2.gz WLDWCZDUBCRSDY-UHFFFAOYSA-N 0 0 304.781 3.123 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCCS2)cc1 ZINC000176486199 1087847779 /nfs/dbraw/zinc/84/77/79/1087847779.db2.gz NTYBMHAPXNTLGE-INIZCTEOSA-N 0 0 321.490 3.228 20 10 DGCDRN Cc1c(C(=O)N2Cc3cccc(O)c3C2)cnc2ccccc12 ZINC001152572412 1088005460 /nfs/dbraw/zinc/00/54/60/1088005460.db2.gz CWTTVGBTNXQIDW-UHFFFAOYSA-N 0 0 304.349 3.405 20 10 DGCDRN Nc1c(Cl)ccc(C(=O)N2Cc3cccc(O)c3C2)c1Cl ZINC001152572336 1088006743 /nfs/dbraw/zinc/00/67/43/1088006743.db2.gz AYARAMBLZNDCPT-UHFFFAOYSA-N 0 0 323.179 3.437 20 10 DGCDRN CSc1nc2ccccc2c(NCc2ccc(O)c(O)c2)n1 ZINC001158995321 1088123679 /nfs/dbraw/zinc/12/36/79/1088123679.db2.gz CIACJJRGXBMKJR-UHFFFAOYSA-N 0 0 313.382 3.375 20 10 DGCDRN Oc1ccc(CNc2ccc3c(Cl)ccnc3n2)cc1O ZINC001158995373 1088125087 /nfs/dbraw/zinc/12/50/87/1088125087.db2.gz FVELSSVBCJJSSZ-UHFFFAOYSA-N 0 0 301.733 3.307 20 10 DGCDRN CCc1cc2c(ncnc2NCc2ccc(O)c(O)c2)s1 ZINC001158995491 1088126696 /nfs/dbraw/zinc/12/66/96/1088126696.db2.gz GXFKIWIZNKQRMI-UHFFFAOYSA-N 0 0 301.371 3.277 20 10 DGCDRN Oc1ccc(CNc2cc(-c3ccc(F)cc3)ncn2)cc1O ZINC001158997255 1088126926 /nfs/dbraw/zinc/12/69/26/1088126926.db2.gz AUFFAULMVOGNFU-UHFFFAOYSA-N 0 0 311.316 3.306 20 10 DGCDRN Oc1ccc(CNc2c(F)ccc3c(Cl)ncnc32)cc1O ZINC001159006303 1088135642 /nfs/dbraw/zinc/13/56/42/1088135642.db2.gz ZJFIFTPMEOOYOW-UHFFFAOYSA-N 0 0 319.723 3.446 20 10 DGCDRN CCOC(=O)c1cc(Nc2ccc(N)cc2)n(-c2ccccc2)n1 ZINC001159249708 1088254245 /nfs/dbraw/zinc/25/42/45/1088254245.db2.gz SIOHLSBIYCWRKE-UHFFFAOYSA-N 0 0 322.368 3.375 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NN1CCCCC1 ZINC001153468659 1088256695 /nfs/dbraw/zinc/25/66/95/1088256695.db2.gz ROESVCKUZMCBHZ-UHFFFAOYSA-N 0 0 303.431 3.286 20 10 DGCDRN O=C(c1ccnc2ccc(F)cc21)N1CCc2cccc(O)c2C1 ZINC001153714072 1088336087 /nfs/dbraw/zinc/33/60/87/1088336087.db2.gz VIVPYSFHPSNPDX-UHFFFAOYSA-N 0 0 322.339 3.278 20 10 DGCDRN C[C@H](SCc1ccccc1)C(=O)NCc1cccc(O)c1O ZINC001153791396 1088362047 /nfs/dbraw/zinc/36/20/47/1088362047.db2.gz BNPWVIVGJGIRAV-LBPRGKRZSA-N 0 0 317.410 3.036 20 10 DGCDRN CSc1ccc(C)c(C(=O)NCc2cccc(O)c2O)c1 ZINC001153791802 1088364034 /nfs/dbraw/zinc/36/40/34/1088364034.db2.gz KRHFEKNJIDUVJJ-UHFFFAOYSA-N 0 0 303.383 3.058 20 10 DGCDRN CC[C@H]([NH2+][C@H]1COC[C@H]1C)c1cc(Br)ccc1O ZINC000699863956 1088453521 /nfs/dbraw/zinc/45/35/21/1088453521.db2.gz KNKSUZIHAIFGSD-ICCXJUOJSA-N 0 0 314.223 3.230 20 10 DGCDRN COc1cccc(NCc2cc(Br)ccc2O)n1 ZINC001160012401 1088599465 /nfs/dbraw/zinc/59/94/65/1088599465.db2.gz MYGXXJZRZSBEMH-UHFFFAOYSA-N 0 0 309.163 3.170 20 10 DGCDRN CCOC(=O)c1cnc(NCc2cc3ccccc3cc2O)cn1 ZINC001160205988 1088697467 /nfs/dbraw/zinc/69/74/67/1088697467.db2.gz COIYPJHATCVCMI-UHFFFAOYSA-N 0 0 323.352 3.124 20 10 DGCDRN CCN(Cc1ccccc1O)c1nc(C)cc(C)c1[N+](=O)[O-] ZINC001154888650 1088811881 /nfs/dbraw/zinc/81/18/81/1088811881.db2.gz GEMSTCQDYPFBOH-UHFFFAOYSA-N 0 0 301.346 3.339 20 10 DGCDRN CCOC(=O)c1cc(N(CC)Cc2ccccc2O)ncc1C ZINC001154888452 1088811940 /nfs/dbraw/zinc/81/19/40/1088811940.db2.gz CWRCIDYRLFKIHX-UHFFFAOYSA-N 0 0 314.385 3.299 20 10 DGCDRN CCN(Cc1ccccc1O)C(F)(F)c1cnc(Cl)cn1 ZINC001154889960 1088813548 /nfs/dbraw/zinc/81/35/48/1088813548.db2.gz NAPCLYLHECTNMD-UHFFFAOYSA-N 0 0 313.735 3.407 20 10 DGCDRN CCOC(=O)c1cc(C)cc(N(CC)Cc2ccccc2O)n1 ZINC001154889835 1088813940 /nfs/dbraw/zinc/81/39/40/1088813940.db2.gz IOZJMSDGEOLLBW-UHFFFAOYSA-N 0 0 314.385 3.299 20 10 DGCDRN CCOC(=O)c1cc(C)cnc1NCc1cccc(C)c1O ZINC001160770375 1088950846 /nfs/dbraw/zinc/95/08/46/1088950846.db2.gz YXIKBSCNTPWDJZ-UHFFFAOYSA-N 0 0 300.358 3.193 20 10 DGCDRN Cc1cccc(CNC(F)(F)Oc2ccnc(Cl)c2)c1O ZINC001160770832 1088951448 /nfs/dbraw/zinc/95/14/48/1088951448.db2.gz FNDGFBKYUZMGRH-UHFFFAOYSA-N 0 0 314.719 3.468 20 10 DGCDRN CN(C(=O)Cc1ccc(N)cc1)[C@H](C1CCC1)C(F)(F)F ZINC001160773025 1088952923 /nfs/dbraw/zinc/95/29/23/1088952923.db2.gz CESDWNUXKSFOKV-CQSZACIVSA-N 0 0 300.324 3.001 20 10 DGCDRN Cc1cc(C)c(CNC(F)(F)c2cnc(Cl)nc2)c(O)c1 ZINC001160808191 1088970912 /nfs/dbraw/zinc/97/09/12/1088970912.db2.gz NYUKRWHJPRFUCP-UHFFFAOYSA-N 0 0 313.735 3.292 20 10 DGCDRN Cc1cc(C)c(CNc2ncnc3ccc([N+](=O)[O-])cc32)c(O)c1 ZINC001160810150 1088974416 /nfs/dbraw/zinc/97/44/16/1088974416.db2.gz KMRSFIJCROJKHT-UHFFFAOYSA-N 0 0 324.340 3.473 20 10 DGCDRN CCC[C@@H](C(=O)c1ccccc1)N(C)C(=O)Cc1ccc(N)cc1 ZINC001161226941 1089158119 /nfs/dbraw/zinc/15/81/19/1089158119.db2.gz NCCJDKQIVQVAPQ-SFHVURJKSA-N 0 0 324.424 3.321 20 10 DGCDRN Oc1cc2c(cc1O)CN(c1ncc(F)cc1Cl)CCC2 ZINC001155941165 1089306618 /nfs/dbraw/zinc/30/66/18/1089306618.db2.gz IMZWRFJACKFNGR-UHFFFAOYSA-N 0 0 308.740 3.238 20 10 DGCDRN O=C(NCc1c(O)cccc1F)C(F)(F)c1ccccc1F ZINC001156169981 1089416370 /nfs/dbraw/zinc/41/63/70/1089416370.db2.gz ANBCBSCENLJEKD-UHFFFAOYSA-N 0 0 313.250 3.079 20 10 DGCDRN COc1cnc(N(C)Cc2ccc(N(C)C)cc2)c(Cl)c1 ZINC001156920403 1089742794 /nfs/dbraw/zinc/74/27/94/1089742794.db2.gz CSBDYNPONXHSPI-UHFFFAOYSA-N 0 0 305.809 3.446 20 10 DGCDRN CN(C)c1ccc(CN(C)c2cc(-c3ncc[nH]3)ccn2)cc1 ZINC001156920681 1089743036 /nfs/dbraw/zinc/74/30/36/1089743036.db2.gz HYNBYUAWULWCIX-UHFFFAOYSA-N 0 0 307.401 3.174 20 10 DGCDRN CCN(CC)c1cncc(N(C)Cc2ccc(N(C)C)cc2)n1 ZINC001156920998 1089743803 /nfs/dbraw/zinc/74/38/03/1089743803.db2.gz OBSNLSUQZDIJHU-UHFFFAOYSA-N 0 0 313.449 3.025 20 10 DGCDRN COc1ccc2c(c1)ncnc2N(C)Cc1ccc(N(C)C)cc1 ZINC001156924271 1089745605 /nfs/dbraw/zinc/74/56/05/1089745605.db2.gz UYKUZIFAOGFNFJ-UHFFFAOYSA-N 0 0 322.412 3.341 20 10 DGCDRN Cc1cc(C)cc(CC(=O)NCc2ccc3cccnc3c2O)c1 ZINC001162612370 1089829048 /nfs/dbraw/zinc/82/90/48/1089829048.db2.gz IHSPLXWQBRYXGE-UHFFFAOYSA-N 0 0 320.392 3.416 20 10 DGCDRN O=C1CN(Cc2cc(Cl)c(Cl)cc2O)CCC[C@H]1F ZINC001236794114 1089887447 /nfs/dbraw/zinc/88/74/47/1089887447.db2.gz PWDXWVLJHHJHPN-LLVKDONJSA-N 0 0 306.164 3.202 20 10 DGCDRN Oc1cc(O)c(CCNc2nccc3c(F)cccc32)cc1O ZINC001157246653 1089889833 /nfs/dbraw/zinc/88/98/33/1089889833.db2.gz WEQYIXUQLPECST-UHFFFAOYSA-N 0 0 314.316 3.145 20 10 DGCDRN Cc1ccc2nc(NCCc3cc(O)c(O)cc3O)ccc2c1 ZINC001157239423 1089890445 /nfs/dbraw/zinc/89/04/45/1089890445.db2.gz BBTQMMGUGHWCEX-UHFFFAOYSA-N 0 0 310.353 3.315 20 10 DGCDRN Oc1cc(O)c(CCNc2ccc3ccc(F)cc3n2)cc1O ZINC001157244906 1089890696 /nfs/dbraw/zinc/89/06/96/1089890696.db2.gz AHUUYVGBJOLFCZ-UHFFFAOYSA-N 0 0 314.316 3.145 20 10 DGCDRN O=C(NC[C@@H]1C[C@H]1C1CCC1)c1cc2cc(O)c(O)cc2s1 ZINC001162738798 1089914691 /nfs/dbraw/zinc/91/46/91/1089914691.db2.gz LPUPWXOKWHNEOC-RYUDHWBXSA-N 0 0 317.410 3.479 20 10 DGCDRN COc1cc(C)c(CN2CC(F)(F)C[C@@]2(C)CF)c(O)c1 ZINC001236806692 1089950898 /nfs/dbraw/zinc/95/08/98/1089950898.db2.gz AATYXNUCROHIDQ-AWEZNQCLSA-N 0 0 303.324 3.278 20 10 DGCDRN CC/C(C)=C/C(=O)NCCC1=CCN(c2cccc(F)n2)CC1 ZINC001089831006 1089952862 /nfs/dbraw/zinc/95/28/62/1089952862.db2.gz QFKYCNXYWQLENP-BUHFOSPRSA-N 0 0 317.408 3.220 20 10 DGCDRN COCc1cc(NCc2ccc(N)cc2)nc(-c2ccccc2)n1 ZINC001162784602 1089954809 /nfs/dbraw/zinc/95/48/09/1089954809.db2.gz RXOVARKUDYLXQM-UHFFFAOYSA-N 0 0 320.396 3.484 20 10 DGCDRN Nc1ccc(CNc2nc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 ZINC001162785553 1089955518 /nfs/dbraw/zinc/95/55/18/1089955518.db2.gz GNWPTCHVUFYASE-UHFFFAOYSA-N 0 0 313.144 3.491 20 10 DGCDRN Nc1ccc(CNc2cc(OCc3ccccc3)cnn2)cc1 ZINC001162785591 1089955647 /nfs/dbraw/zinc/95/56/47/1089955647.db2.gz IXKBDVSJXZKNQC-UHFFFAOYSA-N 0 0 306.369 3.250 20 10 DGCDRN Nc1ccc(CNc2ncc3c(n2)-c2ccccc2CC3)cc1 ZINC001162787783 1089956088 /nfs/dbraw/zinc/95/60/88/1089956088.db2.gz QSMYFIXOTDGNFN-UHFFFAOYSA-N 0 0 302.381 3.437 20 10 DGCDRN CCCSc1ncnc(NCc2ccc(N)cc2)c1OC ZINC001162789974 1089957597 /nfs/dbraw/zinc/95/75/97/1089957597.db2.gz PANVKANEASKZIT-UHFFFAOYSA-N 0 0 304.419 3.182 20 10 DGCDRN Cc1ccnnc1NCc1cc(Cl)c2cccnc2c1O ZINC001157724362 1090089295 /nfs/dbraw/zinc/08/92/95/1090089295.db2.gz MDNMHIHZTZYPOH-UHFFFAOYSA-N 0 0 300.749 3.304 20 10 DGCDRN Oc1ccc(Cl)c(Cl)c1CN1CCOC[C@H]1C1CC1 ZINC001237085303 1090284641 /nfs/dbraw/zinc/28/46/41/1090284641.db2.gz XRVFHTIXGXEEHV-LBPRGKRZSA-N 0 0 302.201 3.310 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H]2CC2(C)C)cc1 ZINC001299241761 1090373125 /nfs/dbraw/zinc/37/31/25/1090373125.db2.gz BPGXSLIEZDLANH-SFHVURJKSA-N 0 0 324.424 3.364 20 10 DGCDRN CNc1ccccc1NCc1ccc(CN2CCOCC2)cc1 ZINC001165398115 1090514498 /nfs/dbraw/zinc/51/44/98/1090514498.db2.gz AAHXKVSIIKDWLJ-UHFFFAOYSA-N 0 0 311.429 3.173 20 10 DGCDRN FC(F)(F)Oc1ccc(-c2noc(-c3csnn3)n2)cc1 ZINC001212361760 1090575103 /nfs/dbraw/zinc/57/51/03/1090575103.db2.gz FJYRPPKLHPWHEW-UHFFFAOYSA-N 0 0 314.248 3.154 20 10 DGCDRN Nc1ccc(Cc2ccc(Nc3ccc(CO)nc3)cc2)cc1 ZINC001212382535 1090605608 /nfs/dbraw/zinc/60/56/08/1090605608.db2.gz ZUEGRGHPACKVJZ-UHFFFAOYSA-N 0 0 305.381 3.491 20 10 DGCDRN Cc1snnc1-c1nc(-c2cc(F)c(Cl)c(F)c2)no1 ZINC001212405171 1090626227 /nfs/dbraw/zinc/62/62/27/1090626227.db2.gz JMIGKNYSIKZMAL-UHFFFAOYSA-N 0 0 314.704 3.495 20 10 DGCDRN Cc1snnc1-c1nc(-c2cc(C(C)(C)C)ccn2)no1 ZINC001212405558 1090627603 /nfs/dbraw/zinc/62/76/03/1090627603.db2.gz WAARUBKDTBDYHM-UHFFFAOYSA-N 0 0 301.375 3.256 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2nc(C)ncc2C)C1 ZINC001166815624 1090661686 /nfs/dbraw/zinc/66/16/86/1090661686.db2.gz CSCPETQVKGHUJG-UHFFFAOYSA-N 0 0 322.412 3.156 20 10 DGCDRN CCc1ccc(N2CCc3c(c4cc(OC)ccc4n3C)C2)nn1 ZINC001166817510 1090661823 /nfs/dbraw/zinc/66/18/23/1090661823.db2.gz FXROYUZBQRKZSU-UHFFFAOYSA-N 0 0 322.412 3.102 20 10 DGCDRN Cc1ccc2nc(C3CC[NH+](Cc4ccccc4O)CC3)nn2c1 ZINC001203552740 1090754486 /nfs/dbraw/zinc/75/44/86/1090754486.db2.gz RTYXGIFYUVKLSF-UHFFFAOYSA-N 0 0 322.412 3.123 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@](O)(CF)CC1 ZINC001203574202 1090759307 /nfs/dbraw/zinc/75/93/07/1090759307.db2.gz PLXSSBSMDLNDHX-CQSZACIVSA-N 0 0 322.207 3.386 20 10 DGCDRN CC[N@H+](CCn1ccnc1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203586173 1090762511 /nfs/dbraw/zinc/76/25/11/1090762511.db2.gz MSAXMGIOFZJRIK-UHFFFAOYSA-N 0 0 314.216 3.418 20 10 DGCDRN CC[N@H+]1C[C@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]2C1 ZINC001203587025 1090762745 /nfs/dbraw/zinc/76/27/45/1090762745.db2.gz YSQNKJWSPSTZDS-TXEJJXNPSA-N 0 0 315.244 3.083 20 10 DGCDRN Oc1ccc(Br)cc1CN1C[C@@H](F)C[C@H]1CF ZINC001203635709 1090769849 /nfs/dbraw/zinc/76/98/49/1090769849.db2.gz FDSFDBAEZBGABB-QWRGUYRKSA-N 0 0 306.150 3.037 20 10 DGCDRN Cn1cnc2cc(C[NH2+]Cc3cc(Cl)cc(F)c3[O-])ccc21 ZINC001203698866 1090783605 /nfs/dbraw/zinc/78/36/05/1090783605.db2.gz NXKKVAYQUDLRII-UHFFFAOYSA-N 0 0 319.767 3.361 20 10 DGCDRN CN(C)c1ccc(CN2[C@H](CO)CCC[C@H]2C(F)(F)F)cc1 ZINC001203929378 1090841335 /nfs/dbraw/zinc/84/13/35/1090841335.db2.gz BBYVRQLWJBLTCR-GJZGRUSLSA-N 0 0 316.367 3.030 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCCOc1cccc(F)c1 ZINC001203960716 1090852433 /nfs/dbraw/zinc/85/24/33/1090852433.db2.gz IDZNSWRMSCQNML-UHFFFAOYSA-N 0 0 311.303 3.368 20 10 DGCDRN Oc1cccc(Cl)c1CNCC(F)(F)C1(O)CCCCC1 ZINC001204012222 1090866385 /nfs/dbraw/zinc/86/63/85/1090866385.db2.gz QJFMIIODRARXOJ-UHFFFAOYSA-N 0 0 319.779 3.466 20 10 DGCDRN CCN(Cc1ccccc1)c1ccc(CNCc2nc[nH]n2)cc1 ZINC001204135838 1090907132 /nfs/dbraw/zinc/90/71/32/1090907132.db2.gz IJSKZZYWFTWAHC-UHFFFAOYSA-N 0 0 321.428 3.121 20 10 DGCDRN C[C@H](NC(=O)c1nccc2occc21)c1ccc(N(C)C)cc1 ZINC001128247909 1090924681 /nfs/dbraw/zinc/92/46/81/1090924681.db2.gz WGZCEHIIJKDXQO-LBPRGKRZSA-N 0 0 309.369 3.385 20 10 DGCDRN CCOC(=O)CN(CC)Cc1ccc(N(C)C)c2ccccc12 ZINC001204239715 1090931785 /nfs/dbraw/zinc/93/17/85/1090931785.db2.gz DLGRURDECCUYDC-UHFFFAOYSA-N 0 0 314.429 3.291 20 10 DGCDRN COc1cc(CN(C)Cc2csc(C(C)C)n2)cc(O)c1O ZINC001204346744 1090952473 /nfs/dbraw/zinc/95/24/73/1090952473.db2.gz XYFJZOAILTZTPI-UHFFFAOYSA-N 0 0 322.430 3.318 20 10 DGCDRN COc1cc(CN2CCCC[C@@H]2C(F)(F)F)cc(O)c1O ZINC001204345588 1090952781 /nfs/dbraw/zinc/95/27/81/1090952781.db2.gz UYSJOIJYJOYTLO-GFCCVEGCSA-N 0 0 305.296 3.023 20 10 DGCDRN COc1cc(CN2CCc3c(Cl)cccc3C2)cc(O)c1O ZINC001204346420 1090952956 /nfs/dbraw/zinc/95/29/56/1090952956.db2.gz OVAYMZLZRBTNAV-UHFFFAOYSA-N 0 0 319.788 3.318 20 10 DGCDRN Cc1c(F)cccc1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001204511785 1090988144 /nfs/dbraw/zinc/98/81/44/1090988144.db2.gz ZHGFFEVJKRDJDX-UHFFFAOYSA-N 0 0 301.361 3.494 20 10 DGCDRN COc1cc(CN2CCCc3cc(O)c(O)cc3C2)ccc1F ZINC001204564479 1091000152 /nfs/dbraw/zinc/00/01/52/1091000152.db2.gz VORNOPUPYGQNRW-UHFFFAOYSA-N 0 0 317.360 3.194 20 10 DGCDRN CN1CC[N@H+](Cc2cc(F)c(F)cc2[O-])Cc2ccccc21 ZINC001204790488 1091036744 /nfs/dbraw/zinc/03/67/44/1091036744.db2.gz LQTXUCNOYHULSW-UHFFFAOYSA-N 0 0 304.340 3.122 20 10 DGCDRN C/C(=C/c1ccncc1)C(=O)Nc1c2nonc2ccc1Cl ZINC001128704795 1091079341 /nfs/dbraw/zinc/07/93/41/1091079341.db2.gz YSZARLXRTPJTKE-HJWRWDBZSA-N 0 0 314.732 3.313 20 10 DGCDRN FC1(F)COC2(CN(Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC001138220926 1091120315 /nfs/dbraw/zinc/12/03/15/1091120315.db2.gz RSETURQJZJSIAU-UHFFFAOYSA-N 0 0 322.399 3.287 20 10 DGCDRN Oc1cccc2c1CN(Cc1cc3c(cc1Cl)OCO3)CC2 ZINC001138244845 1091125348 /nfs/dbraw/zinc/12/53/48/1091125348.db2.gz MGDQSIPHSZKFHL-UHFFFAOYSA-N 0 0 317.772 3.333 20 10 DGCDRN CCN(CC)c1ccc(CN2CCC[C@@H](F)C(=O)C2)c(OC)c1 ZINC001138386212 1091161448 /nfs/dbraw/zinc/16/14/48/1091161448.db2.gz JTGPDQFQHCWVEH-MRXNPFEDSA-N 0 0 322.424 3.044 20 10 DGCDRN CC[C@@H]1COCCN1Cc1ccc(N(CC)CC)cc1OC ZINC001138388904 1091163410 /nfs/dbraw/zinc/16/34/10/1091163410.db2.gz AGPVMZLNWNCSGJ-MRXNPFEDSA-N 0 0 306.450 3.152 20 10 DGCDRN CC(C)c1noc([C@H]2CCC[N@H+](Cc3c([O-])cccc3F)C2)n1 ZINC001137839142 1091216440 /nfs/dbraw/zinc/21/64/40/1091216440.db2.gz SWTCRUSTKVCCPH-LBPRGKRZSA-N 0 0 319.380 3.417 20 10 DGCDRN Cc1ccc(F)c(CN2CCCc3cc(O)c(O)cc3C2)c1 ZINC001205662078 1091302766 /nfs/dbraw/zinc/30/27/66/1091302766.db2.gz UQRPDEDMMZHYOC-UHFFFAOYSA-N 0 0 301.361 3.494 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+](CC1CC1)C(C)C ZINC001139128886 1091459710 /nfs/dbraw/zinc/45/97/10/1091459710.db2.gz HTOCYXQJSLGBED-UHFFFAOYSA-N 0 0 301.386 3.427 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC001139129022 1091460058 /nfs/dbraw/zinc/46/00/58/1091460058.db2.gz LANYKRVXFONVAV-LLVKDONJSA-N 0 0 323.339 3.284 20 10 DGCDRN O=C(NCc1ccccc1O)c1ccccc1-c1ccncc1 ZINC001294925313 1091472301 /nfs/dbraw/zinc/47/23/01/1091472301.db2.gz NMHWXHRGIFHLFR-UHFFFAOYSA-N 0 0 304.349 3.384 20 10 DGCDRN CC[C@@H](CCO)NC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001295003641 1091486829 /nfs/dbraw/zinc/48/68/29/1091486829.db2.gz DQBKLDIZBVFAKC-INIZCTEOSA-N 0 0 314.429 3.293 20 10 DGCDRN Cc1cc(CN2CC[C@H](CF)C(F)(F)C2)ccc1N(C)C ZINC001139669974 1091637551 /nfs/dbraw/zinc/63/75/51/1091637551.db2.gz SMMHQHGXFAUVDZ-CQSZACIVSA-N 0 0 300.368 3.488 20 10 DGCDRN Cc1cc(CN2CCOC[C@@H]2c2cccnc2)ccc1N(C)C ZINC001139673535 1091639274 /nfs/dbraw/zinc/63/92/74/1091639274.db2.gz JJGDWRHVNGODRA-LJQANCHMSA-N 0 0 311.429 3.030 20 10 DGCDRN O=C1c2ccccc2[C@@H]2C[N@H+](Cc3c(F)ccc(F)c3[O-])C[C@H]12 ZINC001139680828 1091641330 /nfs/dbraw/zinc/64/13/30/1091641330.db2.gz CWPLSXKCMLOTBQ-STQMWFEESA-N 0 0 315.319 3.082 20 10 DGCDRN [O-]c1c(F)ccc(F)c1C[NH+]1CCC(Oc2ccncc2)CC1 ZINC001139680908 1091641695 /nfs/dbraw/zinc/64/16/95/1091641695.db2.gz FCDZRWGDBQOXFZ-UHFFFAOYSA-N 0 0 320.339 3.109 20 10 DGCDRN COc1ncc(Cl)cc1CN1CCc2cccc(O)c2C1 ZINC001139749155 1091662978 /nfs/dbraw/zinc/66/29/78/1091662978.db2.gz NDYMCDZHENFHKE-UHFFFAOYSA-N 0 0 304.777 3.008 20 10 DGCDRN C[C@]1(F)CCN(Cc2c(O)cccc2Br)C[C@@H]1F ZINC001140098607 1091767958 /nfs/dbraw/zinc/76/79/58/1091767958.db2.gz HNOQUSOEDFXYBZ-STQMWFEESA-N 0 0 320.177 3.427 20 10 DGCDRN Oc1cccc(Br)c1CN1Cc2ccncc2C1 ZINC001140101237 1091769411 /nfs/dbraw/zinc/76/94/11/1091769411.db2.gz MPJRWVJMIQLNQG-UHFFFAOYSA-N 0 0 305.175 3.066 20 10 DGCDRN COC(=O)c1cccc2c1CN(Cc1c(C)ccc(C)c1O)C2 ZINC001140181395 1091794106 /nfs/dbraw/zinc/79/41/06/1091794106.db2.gz AFMKSAIJCFPUOW-UHFFFAOYSA-N 0 0 311.381 3.311 20 10 DGCDRN OC[C@H]1CCC[C@H](C(F)(F)F)N1Cc1c(O)cccc1Cl ZINC001140337785 1091832617 /nfs/dbraw/zinc/83/26/17/1091832617.db2.gz DYUYTJRSIDYQQW-NOZJJQNGSA-N 0 0 323.742 3.323 20 10 DGCDRN CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccccc1C(=O)[O-] ZINC001140504367 1091892925 /nfs/dbraw/zinc/89/29/25/1091892925.db2.gz PUKKKZICLKXDIJ-UHFFFAOYSA-N 0 0 312.413 3.473 20 10 DGCDRN CN(C)c1ccc(C[N@H+](C)Cc2c([O-])cc(F)cc2F)cc1 ZINC001140583999 1091919179 /nfs/dbraw/zinc/91/91/79/1091919179.db2.gz BMYWXFZMMPWHRG-UHFFFAOYSA-N 0 0 306.356 3.368 20 10 DGCDRN C[N@H+](CCC(=O)c1cccs1)Cc1c([O-])cc(F)cc1F ZINC001140584183 1091919225 /nfs/dbraw/zinc/91/92/25/1091919225.db2.gz HKAGAPCHXDUASG-UHFFFAOYSA-N 0 0 311.353 3.437 20 10 DGCDRN Cc1ccc(O)c(CN2CC[C@H]2N(C)C(=O)OC(C)(C)C)c1 ZINC001140623370 1091934015 /nfs/dbraw/zinc/93/40/15/1091934015.db2.gz MZBIBTYKDYPQDM-HNNXBMFYSA-N 0 0 306.406 3.099 20 10 DGCDRN CN(C)C(=O)c1ccc(N(C)c2ccc(N)cc2)cc1Cl ZINC001203078816 1092061664 /nfs/dbraw/zinc/06/16/64/1092061664.db2.gz MHAIGTICVGVHSN-UHFFFAOYSA-N 0 0 303.793 3.392 20 10 DGCDRN Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c(O)c1 ZINC001140950206 1092078191 /nfs/dbraw/zinc/07/81/91/1092078191.db2.gz VJLUTIKGGXHFRY-KRWDZBQOSA-N 0 0 301.361 3.493 20 10 DGCDRN COc1cc(O)c(C[N@@H+]2CC[C@@H](C)C(F)(F)CC2)c(OC)c1 ZINC001141031303 1092112715 /nfs/dbraw/zinc/11/27/15/1092112715.db2.gz CEXLGLPUNSKEGS-LLVKDONJSA-N 0 0 315.360 3.277 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)NCc1ccc2sccc2c1 ZINC001298867731 1092117303 /nfs/dbraw/zinc/11/73/03/1092117303.db2.gz RJCGSBGTMDFFEK-UHFFFAOYSA-N 0 0 313.378 3.171 20 10 DGCDRN FC[C@@H]1C[C@H](F)CN1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141075108 1092129635 /nfs/dbraw/zinc/12/96/35/1092129635.db2.gz ZASHNMMZYOLECJ-IRXDYDNUSA-N 0 0 306.400 3.267 20 10 DGCDRN CN1CCOc2cc(CN3CC(F)(F)C[C@@]3(C)CF)ccc21 ZINC001141140739 1092148597 /nfs/dbraw/zinc/14/85/97/1092148597.db2.gz OXNBFDBMBCIDTR-HNNXBMFYSA-N 0 0 314.351 3.084 20 10 DGCDRN CN1CCOc2cc(C[N@H+](C)Cc3ccc(Cl)nc3)ccc21 ZINC001141143828 1092150371 /nfs/dbraw/zinc/15/03/71/1092150371.db2.gz LTPGHGNRTVLLBQ-UHFFFAOYSA-N 0 0 317.820 3.196 20 10 DGCDRN COc1ccc(CC[N@H+](C)Cc2cc(F)c(F)cc2[O-])cc1 ZINC001142524947 1092495118 /nfs/dbraw/zinc/49/51/18/1092495118.db2.gz QQGWUCGLUOQIBN-UHFFFAOYSA-N 0 0 307.340 3.354 20 10 DGCDRN Oc1cc(F)c(F)cc1CN1CCN(c2ccccc2F)CC1 ZINC001142521032 1092495491 /nfs/dbraw/zinc/49/54/91/1092495491.db2.gz VBHGMHODTFKORM-UHFFFAOYSA-N 0 0 322.330 3.132 20 10 DGCDRN CCN(C)c1ccc(CN[C@H](C(=O)OC)C2CCCCC2)cc1 ZINC001169056569 1092513911 /nfs/dbraw/zinc/51/39/11/1092513911.db2.gz ROHJRDXIMXUUFT-SFHVURJKSA-N 0 0 318.461 3.354 20 10 DGCDRN CC(C)/C=C/C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001142664587 1092522556 /nfs/dbraw/zinc/52/25/56/1092522556.db2.gz YFTULHTWQIJYPH-AATRIKPKSA-N 0 0 304.777 3.422 20 10 DGCDRN CC(C)(C)C(=O)Nc1c(N)ccc2c1C(=O)c1ccccc1C2=O ZINC001142776542 1092549040 /nfs/dbraw/zinc/54/90/40/1092549040.db2.gz ROHWTUIBPAETDW-UHFFFAOYSA-N 0 0 322.364 3.029 20 10 DGCDRN Cc1cc(C)n(-c2ccc(NC(=O)c3cccc(O)c3O)cc2)n1 ZINC001169401402 1092665864 /nfs/dbraw/zinc/66/58/64/1092665864.db2.gz ADBMVCXNLFXKKC-UHFFFAOYSA-N 0 0 323.352 3.153 20 10 DGCDRN Cc1cc(C(=O)N2CCc3cccc(O)c3C2)c2ccccc2n1 ZINC001150669963 1092806668 /nfs/dbraw/zinc/80/66/68/1092806668.db2.gz SAOUYVZVPFDWRA-UHFFFAOYSA-N 0 0 318.376 3.447 20 10 DGCDRN O=C(c1cc2c(cccc2F)[nH]1)N1CCc2cccc(O)c2C1 ZINC001151105779 1092865791 /nfs/dbraw/zinc/86/57/91/1092865791.db2.gz NZLUXDWYWHNLPB-UHFFFAOYSA-N 0 0 310.328 3.211 20 10 DGCDRN COC(=O)c1cc(F)ccc1Nc1ccc2c(c1)OCCN2 ZINC001209767884 1092911114 /nfs/dbraw/zinc/91/11/14/1092911114.db2.gz QLWMGJPGBZDJMW-UHFFFAOYSA-N 0 0 302.305 3.160 20 10 DGCDRN CNc1ccc(C(=O)OC)cc1Nc1ccc2c(c1)OCCN2 ZINC001209766910 1092911205 /nfs/dbraw/zinc/91/12/05/1092911205.db2.gz YABJGZUYYYXYIP-UHFFFAOYSA-N 0 0 313.357 3.063 20 10 DGCDRN Fc1cc(Nc2ccc3c(c2)OCCN3)ccc1OC1COC1 ZINC001209768397 1092911545 /nfs/dbraw/zinc/91/15/45/1092911545.db2.gz ZWLRUDVIKAHDLN-UHFFFAOYSA-N 0 0 316.332 3.151 20 10 DGCDRN COC(=O)c1ccc(F)cc1Nc1ccc2c(c1)OCCN2 ZINC001209788178 1092923410 /nfs/dbraw/zinc/92/34/10/1092923410.db2.gz GVVYSWDRTVUNAB-UHFFFAOYSA-N 0 0 302.305 3.160 20 10 DGCDRN Cc1c(Cl)cccc1S(=O)(=O)N1Cc2cccc(O)c2C1 ZINC001213481258 1093593886 /nfs/dbraw/zinc/59/38/86/1093593886.db2.gz FXNVRYBNWIGOEJ-UHFFFAOYSA-N 0 0 323.801 3.059 20 10 DGCDRN CC(C)C(C)(C)CS(=O)(=O)NCc1cccc(Cl)c1O ZINC001214006371 1093694463 /nfs/dbraw/zinc/69/44/63/1093694463.db2.gz JJPJKPXVNKIZFA-UHFFFAOYSA-N 0 0 319.854 3.147 20 10 DGCDRN COc1c(F)cc(F)cc1-c1noc(-c2cccc(O)c2O)n1 ZINC001215146021 1093927231 /nfs/dbraw/zinc/92/72/31/1093927231.db2.gz XETVYPCDQMJHSG-UHFFFAOYSA-N 0 0 320.251 3.102 20 10 DGCDRN CC(=O)c1ccc(F)c(-c2noc(-c3ccc(O)c(O)c3)n2)c1 ZINC001215304573 1093956119 /nfs/dbraw/zinc/95/61/19/1093956119.db2.gz SHAARHWLLGZBPL-UHFFFAOYSA-N 0 0 314.272 3.157 20 10 DGCDRN Oc1ccc(-c2nc(-c3cnc4c(c3)CCCC4)no2)cc1O ZINC001215304167 1093956127 /nfs/dbraw/zinc/95/61/27/1093956127.db2.gz GLLBIZMYFMFVOA-UHFFFAOYSA-N 0 0 309.325 3.089 20 10 DGCDRN Oc1cc(-c2nc(-c3cccc4occc43)no2)cc(O)c1O ZINC001215327899 1093961693 /nfs/dbraw/zinc/96/16/93/1093961693.db2.gz ZDZLQLXYSZBVPT-UHFFFAOYSA-N 0 0 310.265 3.267 20 10 DGCDRN [O-]c1c(Br)cccc1C[NH2+]CCC[C@@H]1CCOC1 ZINC000402351109 1094002722 /nfs/dbraw/zinc/00/27/22/1094002722.db2.gz ZRMJPMSWZMKTTO-LLVKDONJSA-N 0 0 314.223 3.061 20 10 DGCDRN O=C(c1ccncc1)c1ccccc1Nc1ccc(O)c(CO)c1 ZINC001216143801 1094133385 /nfs/dbraw/zinc/13/33/85/1094133385.db2.gz NQZIMBIIQSXAET-UHFFFAOYSA-N 0 0 320.348 3.254 20 10 DGCDRN Nc1ccc(OC(=O)c2ccc(NC3=CCCOC3)cc2)cc1 ZINC001216509996 1094211376 /nfs/dbraw/zinc/21/13/76/1094211376.db2.gz HRHIPRIBFZFCDN-UHFFFAOYSA-N 0 0 310.353 3.204 20 10 DGCDRN COc1cccc(NC(=O)NCc2c(O)cccc2F)c1F ZINC001216828168 1094267803 /nfs/dbraw/zinc/26/78/03/1094267803.db2.gz COVVJMQWIAIPON-UHFFFAOYSA-N 0 0 308.284 3.001 20 10 DGCDRN Oc1ccc(Br)cc1CN1CCC(F)(F)CC1 ZINC000404794627 1094269482 /nfs/dbraw/zinc/26/94/82/1094269482.db2.gz QHGXYGGDFRSPJJ-UHFFFAOYSA-N 0 0 306.150 3.386 20 10 DGCDRN C[C@H](NC(=O)Nc1ccc(OC(F)F)nc1)c1ccccc1O ZINC001216901688 1094276608 /nfs/dbraw/zinc/27/66/08/1094276608.db2.gz GESJDQSAAZVQMP-VIFPVBQESA-N 0 0 323.299 3.271 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccccc2-c2cn[nH]c2)cc1 ZINC001135828121 1094698438 /nfs/dbraw/zinc/69/84/38/1094698438.db2.gz UJGOTBSKBTVBOF-UHFFFAOYSA-N 0 0 320.396 3.073 20 10 DGCDRN COC(=O)c1cnc(N[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC001336747604 1094719741 /nfs/dbraw/zinc/71/97/41/1094719741.db2.gz LIWDHIQQJAACPG-JTQLQIEISA-N 0 0 305.403 3.169 20 10 DGCDRN CC[C@@H]1CN(c2nnc(C3SC=CC3=O)n2CC)CCS1 ZINC001121763855 1094768766 /nfs/dbraw/zinc/76/87/66/1094768766.db2.gz MQQPZIFFBPGCMC-SNVBAGLBSA-N 0 0 324.475 3.064 20 10 DGCDRN COc1nc(NC(=O)Cc2ccc(N)cc2)cc2ccccc21 ZINC001218760636 1094865705 /nfs/dbraw/zinc/86/57/05/1094865705.db2.gz KPCKRYYINWIBHA-UHFFFAOYSA-N 0 0 307.353 3.007 20 10 DGCDRN C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccccn1 ZINC001136180715 1094932048 /nfs/dbraw/zinc/93/20/48/1094932048.db2.gz LIOPFJXDOJXJKM-HNNXBMFYSA-N 0 0 323.440 3.442 20 10 DGCDRN Cc1cccc([C@H]2CCCN2C(=O)Cc2ccc(O)c(O)c2)c1 ZINC001136363710 1095003036 /nfs/dbraw/zinc/00/30/36/1095003036.db2.gz GFGDCVSSOJUGBB-MRXNPFEDSA-N 0 0 311.381 3.312 20 10 DGCDRN CCc1cccc(CC(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC001136436324 1095037615 /nfs/dbraw/zinc/03/76/15/1095037615.db2.gz SAMPBUMPDZTQBS-UHFFFAOYSA-N 0 0 322.452 3.490 20 10 DGCDRN Cc1ncc(/C=C\C(=O)N2CCCn3nc(C)c(Cl)c32)s1 ZINC001337649432 1095048262 /nfs/dbraw/zinc/04/82/62/1095048262.db2.gz UUPBJWAULREKCN-PLNGDYQASA-N 0 0 322.821 3.060 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2cccc(F)c2F)cc1 ZINC000315030782 1095080358 /nfs/dbraw/zinc/08/03/58/1095080358.db2.gz MOSKGGQIMNIJGV-UHFFFAOYSA-N 0 0 304.340 3.303 20 10 DGCDRN C[C@H](CCc1ccccc1)NC(=O)NCc1c(O)cccc1F ZINC001220549716 1095111878 /nfs/dbraw/zinc/11/18/78/1095111878.db2.gz RWCBLQKEVSLPOY-CYBMUJFWSA-N 0 0 316.376 3.352 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2ccc(Cl)c(N)c2)c(O)c1 ZINC001220825990 1095160562 /nfs/dbraw/zinc/16/05/62/1095160562.db2.gz WVKVJBGHIZLJJZ-UHFFFAOYSA-N 0 0 304.777 3.175 20 10 DGCDRN Cn1c(C2SC=CC2=O)nnc1N1CCC[C@H](C2CCC2)C1 ZINC001338087672 1095186569 /nfs/dbraw/zinc/18/65/69/1095186569.db2.gz NRJCUIKLPQEIHS-LBPRGKRZSA-N 0 0 318.446 3.266 20 10 DGCDRN Cc1ccn2c(CN3CCCc4cc(O)c(O)cc4C3)cnc2c1 ZINC001136890899 1095220732 /nfs/dbraw/zinc/22/07/32/1095220732.db2.gz CDZLCHRGGDUOST-UHFFFAOYSA-N 0 0 323.396 3.002 20 10 DGCDRN Cc1cccc(F)c1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001136972542 1095262501 /nfs/dbraw/zinc/26/25/01/1095262501.db2.gz QLFJFEKVDRPMRM-UHFFFAOYSA-N 0 0 314.320 3.227 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1c(Cl)ccnc1F ZINC001123571077 1095349037 /nfs/dbraw/zinc/34/90/37/1095349037.db2.gz MVBXBGDPIQFYDU-UHFFFAOYSA-N 0 0 321.783 3.179 20 10 DGCDRN C[C@H](c1ccco1)N(C)c1nnc(C2SC=CC2=O)n1C ZINC001338748355 1095378190 /nfs/dbraw/zinc/37/81/90/1095378190.db2.gz AUMRUIOTZUZTEY-SECBINFHSA-N 0 0 304.375 3.040 20 10 DGCDRN Cn1c(C2SC=CC2=O)nnc1N1CC[C@@H](C2CCCC2)C1 ZINC001338750287 1095379535 /nfs/dbraw/zinc/37/95/35/1095379535.db2.gz LUYGPFNQXJBXIG-GFCCVEGCSA-N 0 0 318.446 3.266 20 10 DGCDRN CC[C@H](C)n1nccc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001338971586 1095452906 /nfs/dbraw/zinc/45/29/06/1095452906.db2.gz UGEIQRIWDJAAES-KBPBESRZSA-N 0 0 314.433 3.411 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCC(F)F)c1 ZINC001124029359 1095518094 /nfs/dbraw/zinc/51/80/94/1095518094.db2.gz ZFMQIMYYXJTLGY-UHFFFAOYSA-N 0 0 320.339 3.292 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC001339368400 1095602614 /nfs/dbraw/zinc/60/26/14/1095602614.db2.gz XXWYBJJRBVFOOU-TXEJJXNPSA-N 0 0 318.446 3.359 20 10 DGCDRN CC(=O)c1csc(C(=O)Nc2c3nonc3ccc2Cl)c1 ZINC001116850979 1095679951 /nfs/dbraw/zinc/67/99/51/1095679951.db2.gz XYINTENKDGBVEA-UHFFFAOYSA-N 0 0 321.745 3.393 20 10 DGCDRN CCC[C@H]1CC[C@H](C(=O)NCCc2cc(O)c(O)cc2O)CC1 ZINC001144642780 1095752620 /nfs/dbraw/zinc/75/26/20/1095752620.db2.gz NOHZFRICMNZCFM-JOCQHMNTSA-N 0 0 321.417 3.069 20 10 DGCDRN [O-]c1cccc(F)c1C[NH+]1CCC(O)(Cc2ccccc2)CC1 ZINC001137831593 1095757166 /nfs/dbraw/zinc/75/71/66/1095757166.db2.gz GTLXKPFQAZWXRB-UHFFFAOYSA-N 0 0 315.388 3.101 20 10 DGCDRN CN(CC[N@H+](C)Cc1ccccc1)Cc1c(O)cccc1F ZINC001137840024 1095758041 /nfs/dbraw/zinc/75/80/41/1095758041.db2.gz PJHQPNASCNLJSD-UHFFFAOYSA-N 0 0 302.393 3.095 20 10 DGCDRN [O-]c1cccc(F)c1C[N@@H+]1CC[C@H](OCc2ccccc2)C1 ZINC001137837777 1095758202 /nfs/dbraw/zinc/75/82/02/1095758202.db2.gz UPOXHXJLUNWGTH-HNNXBMFYSA-N 0 0 301.361 3.322 20 10 DGCDRN Cc1ccc(N2CC[NH+](Cc3c([O-])cccc3F)CC2)c(C)c1 ZINC001137838584 1095758695 /nfs/dbraw/zinc/75/86/95/1095758695.db2.gz DIXDUXJXIZDMAT-UHFFFAOYSA-N 0 0 314.404 3.470 20 10 DGCDRN C[C@@]1(c2ccc(F)cc2)CN(Cc2c(O)cccc2F)CCO1 ZINC001137839127 1095760022 /nfs/dbraw/zinc/76/00/22/1095760022.db2.gz SJENLSSJOJMIPZ-SFHVURJKSA-N 0 0 319.351 3.418 20 10 DGCDRN CC(C)n1cnnc1CN(C)Cc1ccc(N2CCCC2)cc1 ZINC001117681174 1095798572 /nfs/dbraw/zinc/79/85/72/1095798572.db2.gz GBMPENJEDZWWPS-UHFFFAOYSA-N 0 0 313.449 3.091 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CNc2ccccc21 ZINC001340044275 1095832604 /nfs/dbraw/zinc/83/26/04/1095832604.db2.gz JWXHRTHOQFNQEK-SFHVURJKSA-N 0 0 321.424 3.112 20 10 DGCDRN COc1ccccc1O[C@@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001138127697 1095900321 /nfs/dbraw/zinc/90/03/21/1095900321.db2.gz MXKXZYXJGXSCCC-CQSZACIVSA-N 0 0 317.360 3.193 20 10 DGCDRN CC(C)C(CNC(=O)NCc1ccc(N(C)C)cc1)C(C)C ZINC001223198177 1095900907 /nfs/dbraw/zinc/90/09/07/1095900907.db2.gz OWMWTXNLWHQAAL-UHFFFAOYSA-N 0 0 305.466 3.480 20 10 DGCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@H](Oc2cc(F)ccc2F)C1 ZINC001138127689 1095900819 /nfs/dbraw/zinc/90/08/19/1095900819.db2.gz MKFRRULKSGPQTP-ZDUSSCGKSA-N 0 0 323.314 3.463 20 10 DGCDRN C[C@@H]1C[C@H](C)CCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC001223197698 1095901180 /nfs/dbraw/zinc/90/11/80/1095901180.db2.gz LYJLSKOULHOCMI-HUUCEWRRSA-N 0 0 303.450 3.330 20 10 DGCDRN CC(C)c1noc([C@H]2CCC[N@H+](Cc3cccc(F)c3[O-])C2)n1 ZINC001138128322 1095901727 /nfs/dbraw/zinc/90/17/27/1095901727.db2.gz CSNXHZLNIWROJC-ZDUSSCGKSA-N 0 0 319.380 3.417 20 10 DGCDRN CCOc1ccc(N2CCN(Cc3ccc(C)nc3)CC2)cc1 ZINC001118304515 1095978994 /nfs/dbraw/zinc/97/89/94/1095978994.db2.gz LBUZNUUHTZMNJL-UHFFFAOYSA-N 0 0 311.429 3.111 20 10 DGCDRN Cc1nc2cc(C(=O)NCc3cc(Cl)ccc3O)ccc2o1 ZINC001146231648 1096007557 /nfs/dbraw/zinc/00/75/57/1096007557.db2.gz GQOPYVOONXNYMS-UHFFFAOYSA-N 0 0 316.744 3.425 20 10 DGCDRN COc1ccc(N(Cc2nnn(C(C)(C)C)n2)CC(C)C)cc1 ZINC001171276101 1096017514 /nfs/dbraw/zinc/01/75/14/1096017514.db2.gz GUYWHRUHNRWSDB-UHFFFAOYSA-N 0 0 317.437 3.099 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001340779118 1096031473 /nfs/dbraw/zinc/03/14/73/1096031473.db2.gz MPMWNUFRKWHJND-PHIMTYICSA-N 0 0 306.435 3.214 20 10 DGCDRN CN(C(=O)C[C@@H]1CCC[C@H](C(F)(F)F)O1)c1ccc(N)cc1 ZINC001340846874 1096049729 /nfs/dbraw/zinc/04/97/29/1096049729.db2.gz GYYVDBFMPFBDHF-QWHCGFSZSA-N 0 0 316.323 3.122 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)/C=C(\C)C3CC3)CC2)cc1 ZINC001341089845 1096113673 /nfs/dbraw/zinc/11/36/73/1096113673.db2.gz HGUPSQDUYVWNPB-CCEZHUSRSA-N 0 0 314.429 3.090 20 10 DGCDRN C[C@@H]1CC[C@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC001119326442 1096167981 /nfs/dbraw/zinc/16/79/81/1096167981.db2.gz NTZAWWRLXUAAMT-RISCZKNCSA-N 0 0 315.442 3.235 20 10 DGCDRN C[S@](=O)(=NC(=O)/C=C/c1ccc(O)c(O)c1)C1CCCCC1 ZINC001119632012 1096238155 /nfs/dbraw/zinc/23/81/55/1096238155.db2.gz KLEWCCRWZIDQBB-DQACCSDVSA-N 0 0 323.414 3.068 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC001147957875 1096297899 /nfs/dbraw/zinc/29/78/99/1096297899.db2.gz ZQXIVQIIEUSWQO-UHFFFAOYSA-N 0 0 320.732 3.192 20 10 DGCDRN O=C(Nc1ncccc1-c1ccccc1)c1cccc(O)c1O ZINC001148212572 1096327779 /nfs/dbraw/zinc/32/77/79/1096327779.db2.gz DYGIQHXILIVJFZ-UHFFFAOYSA-N 0 0 306.321 3.412 20 10 DGCDRN O=C(NCc1c(F)cccc1Cl)N1Cc2cccc(O)c2C1 ZINC001225248868 1096373538 /nfs/dbraw/zinc/37/35/38/1096373538.db2.gz BNAPNFHSAUHOIV-UHFFFAOYSA-N 0 0 320.751 3.410 20 10 DGCDRN O=C(c1ccc(-n2cccc2)cc1)N1CCc2cccc(O)c2C1 ZINC001148688939 1096421611 /nfs/dbraw/zinc/42/16/11/1096421611.db2.gz FBBIGPLJIXKKRP-UHFFFAOYSA-N 0 0 318.376 3.381 20 10 DGCDRN [O-][n+]1ccc(Cl)c(NCc2cc3ccccc3cc2O)c1 ZINC001171406649 1096676360 /nfs/dbraw/zinc/67/63/60/1096676360.db2.gz BWINCFXNVSVVEH-UHFFFAOYSA-N 0 0 300.745 3.444 20 10 DGCDRN CC(C)(C)[C@H]1CC[C@H](Oc2c(O)c(O)c(O)c(O)c2O)CC1 ZINC001226469918 1096697071 /nfs/dbraw/zinc/69/70/71/1096697071.db2.gz ZJUBSPSNRHDSOJ-KYZUINATSA-N 0 0 312.362 3.198 20 10 DGCDRN CC[C@@H](Oc1c(O)c(O)c(O)c(O)c1O)c1cccc(F)c1C ZINC001226469433 1096697131 /nfs/dbraw/zinc/69/71/31/1096697131.db2.gz UBHVNYDTHLQSLO-SNVBAGLBSA-N 0 0 324.304 3.192 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)N[C@@H]1C[C@H]1c1ccccc1 ZINC001227470005 1096937733 /nfs/dbraw/zinc/93/77/33/1096937733.db2.gz FYAXKJNHFKLTMG-LSDHHAIUSA-N 0 0 316.788 3.401 20 10 DGCDRN COc1ccc(N2CCN(Cc3cccc(C)n3)CC2)c(C)c1 ZINC001204070732 1096940148 /nfs/dbraw/zinc/94/01/48/1096940148.db2.gz NMAXNULOXNUZCI-UHFFFAOYSA-N 0 0 311.429 3.029 20 10 DGCDRN C[C@H](NC(=O)c1ccc(C(F)(F)F)cn1)c1ccccc1O ZINC001171722899 1096954562 /nfs/dbraw/zinc/95/45/62/1096954562.db2.gz FNPUFBVWQFTLIH-VIFPVBQESA-N 0 0 310.275 3.297 20 10 DGCDRN CN(C)c1ccc(O[C@@H]2C=CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001227938860 1097017171 /nfs/dbraw/zinc/01/71/71/1097017171.db2.gz GLUUESMXMQWQAN-MRXNPFEDSA-N 0 0 318.417 3.307 20 10 DGCDRN CC(=O)N1CCN(c2ccc(O[C@H]3CCCC[C@H]3C)cc2)CC1 ZINC001228200529 1097072075 /nfs/dbraw/zinc/07/20/75/1097072075.db2.gz HHVUUUMXLFWCDC-BEFAXECRSA-N 0 0 316.445 3.313 20 10 DGCDRN CC[C@@H](C)[C@H](C)Oc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC001228201762 1097072798 /nfs/dbraw/zinc/07/27/98/1097072798.db2.gz PVWPYJWFWOADOM-CABCVRRESA-N 0 0 304.434 3.169 20 10 DGCDRN CC(=O)N1CCN(c2ccc(O[C@@H]3CCCC[C@@H]3C)cc2)CC1 ZINC001228204146 1097073057 /nfs/dbraw/zinc/07/30/57/1097073057.db2.gz HHVUUUMXLFWCDC-HNAYVOBHSA-N 0 0 316.445 3.313 20 10 DGCDRN CC[C@@H](O)C(=O)Oc1ccccc1NN=C1C=CC=CC1=O ZINC001228420727 1097117852 /nfs/dbraw/zinc/11/78/52/1097117852.db2.gz XYGZTQXHUYQNCR-OYLHUBKDSA-N 0 0 300.314 3.484 20 10 DGCDRN COc1nc(C)ccc1-c1noc(-c2nnsc2C(C)C)n1 ZINC001212687124 1097259914 /nfs/dbraw/zinc/25/99/14/1097259914.db2.gz COTNKWXYUSMKED-UHFFFAOYSA-N 0 0 317.374 3.091 20 10 DGCDRN COc1ccc(-n2c(=N)ccc(/N=N/c3ccccc3)c2N)cn1 ZINC001173958216 1097551207 /nfs/dbraw/zinc/55/12/07/1097551207.db2.gz BPXQSEUBVFVEPB-XSRZAUOLSA-N 0 0 320.356 3.358 20 10 DGCDRN COc1ncc(Nc2ccc(Cc3ccc(N)cc3)cc2)cn1 ZINC001174035263 1097594358 /nfs/dbraw/zinc/59/43/58/1097594358.db2.gz PISMNOQHEFCRPI-UHFFFAOYSA-N 0 0 306.369 3.402 20 10 DGCDRN CC(C)OCCOc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001231266168 1097708372 /nfs/dbraw/zinc/70/83/72/1097708372.db2.gz OXHIMCOJBPWHAO-UHFFFAOYSA-N 0 0 310.349 3.266 20 10 DGCDRN O=C1c2ccccc2C(=O)c2cc(OC[C@@H]3CCCCO3)ccc21 ZINC001231265240 1097708551 /nfs/dbraw/zinc/70/85/51/1097708551.db2.gz APEAWCXIGGVLTF-AWEZNQCLSA-N 0 0 322.360 3.410 20 10 DGCDRN C[N@H+](CCc1ccc(Cl)cc1)Cc1ccc(C(=O)[O-])cc1O ZINC001231452217 1097751794 /nfs/dbraw/zinc/75/17/94/1097751794.db2.gz HIDRGQJMLZNWID-UHFFFAOYSA-N 0 0 319.788 3.418 20 10 DGCDRN CC[N@H+](Cc1ccccc1O)Cc1cc(C(=O)[O-])ccc1F ZINC001231459967 1097753278 /nfs/dbraw/zinc/75/32/78/1097753278.db2.gz JCFTUYZGSOLGRH-UHFFFAOYSA-N 0 0 303.333 3.252 20 10 DGCDRN O=C([O-])c1ccc(C[N@@H+]2CCc3c(Cl)cccc3C2)c(O)c1 ZINC001231455271 1097753292 /nfs/dbraw/zinc/75/32/92/1097753292.db2.gz MAJUAHYDDNALCJ-UHFFFAOYSA-N 0 0 317.772 3.302 20 10 DGCDRN O=C([O-])c1ccc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c(O)c1 ZINC001231455880 1097753979 /nfs/dbraw/zinc/75/39/79/1097753979.db2.gz WATUEOBGYWCCBE-CQSZACIVSA-N 0 0 315.344 3.219 20 10 DGCDRN O=C([O-])c1ccc(O)c(CN2Cc3cccc(Cl)c3C2)c1 ZINC001231566161 1097780254 /nfs/dbraw/zinc/78/02/54/1097780254.db2.gz SACIZELBJSCYIR-UHFFFAOYSA-N 0 0 303.745 3.260 20 10 DGCDRN Oc1ccc2ccccc2c1CN1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001231591131 1097787048 /nfs/dbraw/zinc/78/70/48/1097787048.db2.gz VJGSLIUGMOVVBB-PJODQICGSA-N 0 0 323.314 3.449 20 10 DGCDRN COc1cc(N(C)C)ccc1CN1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001231849417 1097863229 /nfs/dbraw/zinc/86/32/29/1097863229.db2.gz SHHORWAWUOCLGQ-IAGOWNOFSA-N 0 0 316.445 3.095 20 10 DGCDRN COc1cc(N(C)C)ccc1CN1CCc2c(F)cccc2C1 ZINC001231855612 1097866673 /nfs/dbraw/zinc/86/66/73/1097866673.db2.gz XCCXWMDEYJBJPI-UHFFFAOYSA-N 0 0 314.404 3.459 20 10 DGCDRN C[C@@]1(CO)CC(F)(F)CN1Cc1ccc2ccccc2c1O ZINC001231879486 1097878006 /nfs/dbraw/zinc/87/80/06/1097878006.db2.gz FFKDQZQWTMKRJL-INIZCTEOSA-N 0 0 307.340 3.137 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001231910015 1097888811 /nfs/dbraw/zinc/88/88/11/1097888811.db2.gz JMWAIVJSCCYCBA-DLBZAZTESA-N 0 0 317.816 3.224 20 10 DGCDRN CC(C)(C)C(=O)NC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC001231913235 1097889418 /nfs/dbraw/zinc/88/94/18/1097889418.db2.gz JBRUUDXUJSRPME-UHFFFAOYSA-N 0 0 324.852 3.172 20 10 DGCDRN CC(=O)N1CCCC[C@]12CC[N@H+](Cc1cccc(Cl)c1[O-])C2 ZINC001231912092 1097889916 /nfs/dbraw/zinc/88/99/16/1097889916.db2.gz VUZXFVHSLKBVRM-QGZVFWFLSA-N 0 0 322.836 3.023 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001231911610 1097890770 /nfs/dbraw/zinc/89/07/70/1097890770.db2.gz IOZNVTHPCUXDBZ-HNNXBMFYSA-N 0 0 318.804 3.484 20 10 DGCDRN O=C(c1c[nH]nc1-c1ccccc1F)N1Cc2cccc(O)c2C1 ZINC001175038694 1097926717 /nfs/dbraw/zinc/92/67/17/1097926717.db2.gz SXAZSNGMRBNZEU-UHFFFAOYSA-N 0 0 323.327 3.077 20 10 DGCDRN Cc1cnc(CN(C)Cc2ccccc2O)c(Br)c1 ZINC001232178746 1097957604 /nfs/dbraw/zinc/95/76/04/1097957604.db2.gz DZFOGTUWTHKTQJ-UHFFFAOYSA-N 0 0 321.218 3.490 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2cnsc2)C1 ZINC001232230589 1097975855 /nfs/dbraw/zinc/97/58/55/1097975855.db2.gz OZZAWEGLLHXWMI-UHFFFAOYSA-N 0 0 313.426 3.202 20 10 DGCDRN Oc1cc(O)c(CN2CCOC[C@@H]2c2ccccc2)cc1Cl ZINC001232258653 1097983734 /nfs/dbraw/zinc/98/37/34/1097983734.db2.gz BTTZYIBQFFSLEI-OAHLLOKOSA-N 0 0 319.788 3.325 20 10 DGCDRN COc1cccc2c1CCN(Cc1cc(Cl)c(O)cc1O)C2 ZINC001232264328 1097985878 /nfs/dbraw/zinc/98/58/78/1097985878.db2.gz ZYODAIICFLNQLM-UHFFFAOYSA-N 0 0 319.788 3.318 20 10 DGCDRN COc1cc(O)c(CN2CCC(=O)[C@H]3CCCC[C@H]32)cc1Cl ZINC001232266955 1097986074 /nfs/dbraw/zinc/98/60/74/1097986074.db2.gz TWDYVTAGRBOMHC-GXTWGEPZSA-N 0 0 323.820 3.388 20 10 DGCDRN COc1cc(O)c(CN2CC[C@@H](CF)C(F)(F)C2)cc1Cl ZINC001232267028 1097986552 /nfs/dbraw/zinc/98/65/52/1097986552.db2.gz VGNXNIDJGKPTCM-JTQLQIEISA-N 0 0 323.742 3.481 20 10 DGCDRN CCOc1ccc(F)c(F)c1N(CCO)c1ccc(N)cc1 ZINC001175278708 1097988503 /nfs/dbraw/zinc/98/85/03/1097988503.db2.gz WDHOIOGJZLIAAG-UHFFFAOYSA-N 0 0 308.328 3.076 20 10 DGCDRN CN(C)c1ccc(C[N@@H+]2CCc3cc(F)ccc3C2)c(O)c1 ZINC001232840710 1098150536 /nfs/dbraw/zinc/15/05/36/1098150536.db2.gz HSMLWMDXYCFQCK-UHFFFAOYSA-N 0 0 300.377 3.156 20 10 DGCDRN Oc1cc(CN2CCC[C@H]2c2cc(F)ccc2F)cc(O)c1O ZINC001233012004 1098203470 /nfs/dbraw/zinc/20/34/70/1098203470.db2.gz GNJHDUJYYCUJNS-AWEZNQCLSA-N 0 0 321.323 3.419 20 10 DGCDRN CCOC(=O)c1ccsc1CN1CCc2cccc(O)c2C1 ZINC001233021908 1098205095 /nfs/dbraw/zinc/20/50/95/1098205095.db2.gz UZKONXTXQMRRFO-UHFFFAOYSA-N 0 0 317.410 3.189 20 10 DGCDRN Cc1cc(Br)cc(CN2Cc3cccnc3C2)c1O ZINC001233107098 1098228557 /nfs/dbraw/zinc/22/85/57/1098228557.db2.gz SVBUVPGEZFMCCH-UHFFFAOYSA-N 0 0 319.202 3.374 20 10 DGCDRN CC(=O)N1CC=C(Nc2ccccc2C(=O)c2ccccc2)CC1 ZINC001176031575 1098236878 /nfs/dbraw/zinc/23/68/78/1098236878.db2.gz OOKRYFBGVNGHNE-UHFFFAOYSA-N 0 0 320.392 3.466 20 10 DGCDRN COc1cc(Cl)cc(CN2CC3(C2)C[C@H](F)CS3)c1O ZINC001233290211 1098277183 /nfs/dbraw/zinc/27/71/83/1098277183.db2.gz OTQPSBKKTIZISG-NSHDSACASA-N 0 0 317.813 3.084 20 10 DGCDRN Oc1ccc(F)c(F)c1CN1CCN(c2cccc(F)c2)CC1 ZINC001233336241 1098293590 /nfs/dbraw/zinc/29/35/90/1098293590.db2.gz FASGFUBNBWVREV-UHFFFAOYSA-N 0 0 322.330 3.132 20 10 DGCDRN [O-]c1c(C[NH+]2CC3(C2)CCCOC3)cccc1C(F)(F)F ZINC001233416298 1098321771 /nfs/dbraw/zinc/32/17/71/1098321771.db2.gz CPILLYVWAZPEAY-UHFFFAOYSA-N 0 0 301.308 3.023 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)cccc1C(F)(F)F ZINC001233416685 1098322472 /nfs/dbraw/zinc/32/24/72/1098322472.db2.gz RMTGKKCSBNKSGE-BXUZGUMPSA-N 0 0 315.335 3.412 20 10 DGCDRN C[N@@H+](Cc1cccc(C(F)(F)F)c1[O-])C[C@H]1CCCCO1 ZINC001233418691 1098325913 /nfs/dbraw/zinc/32/59/13/1098325913.db2.gz RGWADQGLTQIDAN-GFCCVEGCSA-N 0 0 303.324 3.412 20 10 DGCDRN C[N@H+](Cc1cncs1)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233419215 1098326135 /nfs/dbraw/zinc/32/61/35/1098326135.db2.gz NWBLDUYRVLYKOD-UHFFFAOYSA-N 0 0 302.321 3.500 20 10 DGCDRN CN(Cc1cscn1)Cc1ccc(C(F)(F)F)cc1O ZINC001233454581 1098341455 /nfs/dbraw/zinc/34/14/55/1098341455.db2.gz AECFGTKFZRQTLO-UHFFFAOYSA-N 0 0 302.321 3.500 20 10 DGCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@@H](C)c1cncnc1 ZINC001233497117 1098351233 /nfs/dbraw/zinc/35/12/33/1098351233.db2.gz NCZLUKRTOPJAEC-JTQLQIEISA-N 0 0 302.330 3.011 20 10 DGCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@@H](C)C1CCOCC1 ZINC001233495864 1098351557 /nfs/dbraw/zinc/35/15/57/1098351557.db2.gz SYQOZAZQUMETPB-NSHDSACASA-N 0 0 308.374 3.275 20 10 DGCDRN CCN(CC)C(=O)c1cc(Nc2cccc(O)c2O)ccc1F ZINC001176518243 1098375299 /nfs/dbraw/zinc/37/52/99/1098375299.db2.gz RZKJEPVUPQCYFU-UHFFFAOYSA-N 0 0 318.348 3.463 20 10 DGCDRN CCN1CCc2cc(O[C@H]3CCC[C@H](C(=O)OC)C3)ccc21 ZINC001233601017 1098386776 /nfs/dbraw/zinc/38/67/76/1098386776.db2.gz FJFFCSQPSNXUKO-GJZGRUSLSA-N 0 0 303.402 3.180 20 10 DGCDRN CCN1CCc2cc(O[C@@H]3CCCC4(C3)OCCO4)ccc21 ZINC001233602213 1098387025 /nfs/dbraw/zinc/38/70/25/1098387025.db2.gz QBWXWBVBSBTZDW-MRXNPFEDSA-N 0 0 303.402 3.134 20 10 DGCDRN Cc1c2cccc(F)c2oc1C(=O)NCc1cccc(O)c1O ZINC001176566174 1098388803 /nfs/dbraw/zinc/38/88/03/1098388803.db2.gz RJPAECMYNMNQMW-UHFFFAOYSA-N 0 0 315.300 3.222 20 10 DGCDRN CCOC(=O)[C@H]1CCC[C@@H]1Oc1ccc2c(c1)CCN2CC ZINC001233608231 1098388948 /nfs/dbraw/zinc/38/89/48/1098388948.db2.gz SKAYJPQYTDTRQO-RDJZCZTQSA-N 0 0 303.402 3.180 20 10 DGCDRN CCN1CCc2cc(OC[C@@H]3COc4ccccc4O3)ccc21 ZINC001233607890 1098389420 /nfs/dbraw/zinc/38/94/20/1098389420.db2.gz OSJWKFIQLCBNDK-MRXNPFEDSA-N 0 0 311.381 3.288 20 10 DGCDRN CN(Cc1cncs1)Cc1cccc(OC(F)(F)F)c1O ZINC001233767746 1098426887 /nfs/dbraw/zinc/42/68/87/1098426887.db2.gz FXBMWPUPDZLDEG-UHFFFAOYSA-N 0 0 318.320 3.379 20 10 DGCDRN COc1ccc([C@@H](C)Oc2nc[nH]c3cc(=O)c(O)cc2-3)cc1 ZINC001233948415 1098464597 /nfs/dbraw/zinc/46/45/97/1098464597.db2.gz GSDFBVKAIBQWKJ-SNVBAGLBSA-N 0 0 312.325 3.190 20 10 DGCDRN C[C@@H](Oc1nc[nH]c2cc(=O)c(O)cc1-2)c1cccc(F)c1 ZINC001233949173 1098465013 /nfs/dbraw/zinc/46/50/13/1098465013.db2.gz YUPKPEOXLONGFO-SECBINFHSA-N 0 0 300.289 3.320 20 10 DGCDRN C[C@@H](Oc1nc[nH]c2cc(=O)c(O)cc1-2)c1ccc(F)cc1 ZINC001233950065 1098465922 /nfs/dbraw/zinc/46/59/22/1098465922.db2.gz SBVXJIGMNRBNPI-SECBINFHSA-N 0 0 300.289 3.320 20 10 DGCDRN CC(C)(C)c1ccc(CNC(=O)c2cccc(O)c2O)s1 ZINC001177212294 1098491307 /nfs/dbraw/zinc/49/13/07/1098491307.db2.gz WKSRHBXBXSOFJU-UHFFFAOYSA-N 0 0 305.399 3.387 20 10 DGCDRN C[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])N1CCC[C@H](C)C1 ZINC001177262682 1098508625 /nfs/dbraw/zinc/50/86/25/1098508625.db2.gz XEWJEDAFFXUPMJ-NWDGAFQWSA-N 0 0 314.832 3.395 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1OC1CC(C)(C)OC(C)(C)C1 ZINC001234475260 1098564723 /nfs/dbraw/zinc/56/47/23/1098564723.db2.gz FEEMGBTXGHOGGG-UHFFFAOYSA-N 0 0 308.374 3.415 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1OC[C@@H](C)Oc1ccccc1 ZINC001234476720 1098566438 /nfs/dbraw/zinc/56/64/38/1098566438.db2.gz OIZDZFYGYSQZTQ-LLVKDONJSA-N 0 0 302.326 3.147 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@]4(CCCO4)C3)c2c1 ZINC001234525929 1098581710 /nfs/dbraw/zinc/58/17/10/1098581710.db2.gz NHNXPQMYCPGBCZ-IBGZPJMESA-N 0 0 313.397 3.309 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3C[C@@H]4C[C@H]3C[C@H]4F)c2c1 ZINC001234552885 1098596030 /nfs/dbraw/zinc/59/60/30/1098596030.db2.gz NTXWNFCQXRKLQS-GDZNZVCISA-N 0 0 301.361 3.486 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3CCOCC34CCC4)c2c1 ZINC001234562376 1098602371 /nfs/dbraw/zinc/60/23/71/1098602371.db2.gz LVAMFLYYJXSNHH-UHFFFAOYSA-N 0 0 313.397 3.309 20 10 DGCDRN C[C@H](C(=O)N(Cc1ccccc1)c1ccc(N)cc1)n1ccnc1 ZINC001177927520 1098658067 /nfs/dbraw/zinc/65/80/67/1098658067.db2.gz ZLIUTVWWPJIBQZ-OAHLLOKOSA-N 0 0 320.396 3.260 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001235067758 1098782104 /nfs/dbraw/zinc/78/21/04/1098782104.db2.gz ZKZAJVIDXRNZSH-PELKAZGASA-N 0 0 300.171 3.278 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001235068926 1098782731 /nfs/dbraw/zinc/78/27/31/1098782731.db2.gz NHNOWPSBTZATIO-GZMMTYOYSA-N 0 0 300.171 3.278 20 10 DGCDRN COc1ccc2c(c1)[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])CCO2 ZINC001178445413 1098820144 /nfs/dbraw/zinc/82/01/44/1098820144.db2.gz YHXZIKPGVNYPKU-OAHLLOKOSA-N 0 0 321.323 3.292 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cc(F)cc2cccnc21 ZINC001178413481 1098828002 /nfs/dbraw/zinc/82/80/02/1098828002.db2.gz SRUXGHIURXASRY-UHFFFAOYSA-N 0 0 314.291 3.149 20 10 DGCDRN CC1(C)[C@H](C(=O)NCc2c(O)cccc2O)[C@H]1c1ccccc1 ZINC001178916922 1098971322 /nfs/dbraw/zinc/97/13/22/1098971322.db2.gz DYNRBGUZRQWMSR-SJORKVTESA-N 0 0 311.381 3.154 20 10 DGCDRN O=C(/C=C\c1cccnc1)NCc1c(O)ccc2ccccc21 ZINC001179029884 1099005337 /nfs/dbraw/zinc/00/53/37/1099005337.db2.gz UYCUGVKDGCRPCE-YFHOEESVSA-N 0 0 304.349 3.270 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCCO[C@H]1CCCCO1 ZINC001179101157 1099009594 /nfs/dbraw/zinc/00/95/94/1099009594.db2.gz SDINOKXJHXBWGK-AWEZNQCLSA-N 0 0 317.788 3.208 20 10 DGCDRN CC(C)[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CC[NH2+]1 ZINC001235470432 1099053892 /nfs/dbraw/zinc/05/38/92/1099053892.db2.gz GQYCIZPQNQGCMS-ZDUSSCGKSA-N 0 0 303.233 3.129 20 10 DGCDRN COc1nscc1NCc1c(O)cccc1Br ZINC001179494545 1099122716 /nfs/dbraw/zinc/12/27/16/1099122716.db2.gz SZWIPSNWFUJUOC-UHFFFAOYSA-N 0 0 315.192 3.232 20 10 DGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC001179559411 1099139734 /nfs/dbraw/zinc/13/97/34/1099139734.db2.gz ZADGMWXQNFXVHU-QRVBRYPASA-N 0 0 322.408 3.370 20 10 DGCDRN CN(CC/C=C/c1cccnc1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001179687083 1099163356 /nfs/dbraw/zinc/16/33/56/1099163356.db2.gz NUFSEOIOLVTYHN-VSMLJJAQSA-N 0 0 324.380 3.068 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(C(F)(F)F)n1 ZINC001179683620 1099176693 /nfs/dbraw/zinc/17/66/93/1099176693.db2.gz QZQLFJZDTATTCL-FNORWQNLSA-N 0 0 324.258 3.164 20 10 DGCDRN [O-]c1c(Cl)cc(F)cc1CN1CC[NH2+][C@H](c2ccccc2)C1 ZINC001235864695 1099226073 /nfs/dbraw/zinc/22/60/73/1099226073.db2.gz UNFBQKWOAJGXLH-INIZCTEOSA-N 0 0 320.795 3.331 20 10 DGCDRN Cc1cc(C)c(CNC(=O)CCn2ncc3ccccc32)c(O)c1 ZINC001180065202 1099298443 /nfs/dbraw/zinc/29/84/43/1099298443.db2.gz DFAAXXQOVMBDHK-UHFFFAOYSA-N 0 0 323.396 3.065 20 10 DGCDRN Cc1nc(Cl)ncc1NC(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180123025 1099321008 /nfs/dbraw/zinc/32/10/08/1099321008.db2.gz KOUCIHVCTNGKTO-RMKNXTFCSA-N 0 0 316.792 3.156 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)Nc2nccc3cnccc32)cc1 ZINC001180122662 1099321110 /nfs/dbraw/zinc/32/11/10/1099321110.db2.gz CTAHJBVZZRQNFI-VMPITWQZSA-N 0 0 318.380 3.348 20 10 DGCDRN COC(C)(C)[C@@H]1CCCN1C(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180126518 1099322909 /nfs/dbraw/zinc/32/29/09/1099322909.db2.gz WHHFFHBMYKHTEV-RTGRKSDTSA-N 0 0 316.445 3.182 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC001180178129 1099324124 /nfs/dbraw/zinc/32/41/24/1099324124.db2.gz QABQMVPYDKFLSR-CQSZACIVSA-N 0 0 323.339 3.445 20 10 DGCDRN COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC001180310235 1099367243 /nfs/dbraw/zinc/36/72/43/1099367243.db2.gz BFNDGNMCXQXUAL-UHFFFAOYSA-N 0 0 322.748 3.252 20 10 DGCDRN [O-]c1c(Cl)cccc1CN1CC[NH2+]C[C@H]1c1cccs1 ZINC001236116783 1099404904 /nfs/dbraw/zinc/40/49/04/1099404904.db2.gz OSWONFCJRKNKAZ-ZDUSSCGKSA-N 0 0 308.834 3.254 20 10 DGCDRN O=C(CSc1ccc(O)cc1)NCc1cccc(Cl)c1O ZINC001180410474 1099411481 /nfs/dbraw/zinc/41/14/81/1099411481.db2.gz QKOAVERLGGFUBT-UHFFFAOYSA-N 0 0 323.801 3.160 20 10 DGCDRN COc1cc(C)sc1C(=O)NCc1cccc(Cl)c1O ZINC001180411360 1099413583 /nfs/dbraw/zinc/41/35/83/1099413583.db2.gz XCVKDCDXNJGRBJ-UHFFFAOYSA-N 0 0 311.790 3.354 20 10 DGCDRN CN(C)c1ccc(CN(C)Cc2c(F)ccc(N)c2F)cc1 ZINC001236189906 1099456338 /nfs/dbraw/zinc/45/63/38/1099456338.db2.gz QSHSNUIZTTVOBT-UHFFFAOYSA-N 0 0 305.372 3.245 20 10 DGCDRN C[S@@](=O)Cc1ccccc1NCc1cc(F)c(F)cc1O ZINC001180593773 1099467532 /nfs/dbraw/zinc/46/75/32/1099467532.db2.gz OBVKOCKPGGNIHV-OAQYLSRUSA-N 0 0 311.353 3.161 20 10 DGCDRN O=C(CCn1ccc2ccccc21)N1CCc2cccc(O)c2C1 ZINC001180668417 1099489312 /nfs/dbraw/zinc/48/93/12/1099489312.db2.gz WAIJULWQXPOVHL-UHFFFAOYSA-N 0 0 320.392 3.322 20 10 DGCDRN Nc1ccc(-c2ncnc3c2ccn3Cc2ccccc2F)cn1 ZINC001236306523 1099525997 /nfs/dbraw/zinc/52/59/97/1099525997.db2.gz AEYZKCGXCNPHCC-UHFFFAOYSA-N 0 0 319.343 3.263 20 10 DGCDRN Cc1c(-c2nc(C)nc3c2ccn3C)cnn1-c1ccccc1 ZINC001236399649 1099575571 /nfs/dbraw/zinc/57/55/71/1099575571.db2.gz XJTSOGOZXUGGPA-UHFFFAOYSA-N 0 0 303.369 3.438 20 10 DGCDRN Cc1cc(C)c(CNC(=O)Nc2ccc3c(c2)OCO3)c(O)c1 ZINC001187888148 1099632317 /nfs/dbraw/zinc/63/23/17/1099632317.db2.gz BCBHZYDBHXEXSM-UHFFFAOYSA-N 0 0 314.341 3.059 20 10 DGCDRN COc1ccc(Cl)cc1NC(=O)Nc1cccc(O)c1O ZINC001187925933 1099637185 /nfs/dbraw/zinc/63/71/85/1099637185.db2.gz UJXFCJIEOUDHBA-UHFFFAOYSA-N 0 0 308.721 3.404 20 10 DGCDRN CSc1cccc(NC(=O)NCc2ccc(O)c(O)c2)c1 ZINC001188060692 1099674470 /nfs/dbraw/zinc/67/44/70/1099674470.db2.gz HSHFTBPDBWKIGV-UHFFFAOYSA-N 0 0 304.371 3.141 20 10 DGCDRN COc1cc(C[N@H+](C)C(C)(C)C)c(O)cc1Br ZINC001236745464 1099767129 /nfs/dbraw/zinc/76/71/29/1099767129.db2.gz DHJBFZWVRFSWRD-UHFFFAOYSA-N 0 0 302.212 3.394 20 10 DGCDRN Cc1nc(CN(C)Cc2cc(Cl)c(Cl)cc2O)no1 ZINC001236792371 1099788546 /nfs/dbraw/zinc/78/85/46/1099788546.db2.gz DCRXNTNRWQJCSF-UHFFFAOYSA-N 0 0 302.161 3.022 20 10 DGCDRN COc1cc(CN2CCC[C@H](F)C2)c(O)cc1Br ZINC001236746703 1099770372 /nfs/dbraw/zinc/77/03/72/1099770372.db2.gz JWLYEMUMRIOBAX-JTQLQIEISA-N 0 0 318.186 3.097 20 10 DGCDRN C[C@@H]1CCN(Cc2cc(O)c(Br)cc2O)C[C@H]1F ZINC001236768865 1099776371 /nfs/dbraw/zinc/77/63/71/1099776371.db2.gz RVEYCDWOSXANAB-LDYMZIIASA-N 0 0 318.186 3.040 20 10 DGCDRN CC1(C)CC[NH+](Cc2cc(O)c(Br)cc2O)CC1 ZINC001236776542 1099778390 /nfs/dbraw/zinc/77/83/90/1099778390.db2.gz YIJIGCRGUKOSII-UHFFFAOYSA-N 0 0 314.223 3.482 20 10 DGCDRN CCc1ccc(C[N@H+](C)CCCNC(=O)OC(C)(C)C)c(O)c1 ZINC001236787985 1099785546 /nfs/dbraw/zinc/78/55/46/1099785546.db2.gz XOGDUCNRTIKZHE-UHFFFAOYSA-N 0 0 322.449 3.301 20 10 DGCDRN CCc1ccc(CN2CC[C@@H]2N(C)C(=O)OC(C)(C)C)c(O)c1 ZINC001236791322 1099789088 /nfs/dbraw/zinc/78/90/88/1099789088.db2.gz GMTKSPIKIGLRAT-MRXNPFEDSA-N 0 0 320.433 3.353 20 10 DGCDRN COc1cc(O)c(CN2CC3(C2)CC(F)(F)C3)c(Cl)c1 ZINC001236797543 1099790376 /nfs/dbraw/zinc/79/03/76/1099790376.db2.gz GEVIBCUSDSJVPF-UHFFFAOYSA-N 0 0 303.736 3.285 20 10 DGCDRN CCc1ccc(C[N@@H+]2CCC[C@@H](Oc3cccnc3)C2)c(O)c1 ZINC001236795231 1099791064 /nfs/dbraw/zinc/79/10/64/1099791064.db2.gz SFLAOOUDQXUUEO-GOSISDBHSA-N 0 0 312.413 3.393 20 10 DGCDRN Cc1cc(CN(C)Cc2cc(Cl)c(Cl)cc2O)n(C)n1 ZINC001236797349 1099791454 /nfs/dbraw/zinc/79/14/54/1099791454.db2.gz XGLHSLYIJOJDKJ-UHFFFAOYSA-N 0 0 314.216 3.373 20 10 DGCDRN [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001236799184 1099794239 /nfs/dbraw/zinc/79/42/39/1099794239.db2.gz MAFOVFJNQJWUOF-LKFCYVNXSA-N 0 0 302.201 3.310 20 10 DGCDRN COc1cc(C)c(CN2CCC[C@H](F)C(F)(F)C2)c(O)c1 ZINC001236807184 1099799013 /nfs/dbraw/zinc/79/90/13/1099799013.db2.gz DDTCTMDNMCIOCE-AWEZNQCLSA-N 0 0 303.324 3.278 20 10 DGCDRN COc1ccc(C[NH+]2CC(C)(C)OC(C)(C)C2)c([O-])c1Cl ZINC001236810300 1099799778 /nfs/dbraw/zinc/79/97/78/1099799778.db2.gz SBKKKBSLTZXSSU-UHFFFAOYSA-N 0 0 313.825 3.444 20 10 DGCDRN COc1ccc(C[N@@H+]2CC[C@H](c3ccccn3)C2)c([O-])c1Cl ZINC001236811763 1099803883 /nfs/dbraw/zinc/80/38/83/1099803883.db2.gz NZQXDAJWNMMGFR-LBPRGKRZSA-N 0 0 318.804 3.439 20 10 DGCDRN Cc1cc2n(n1)c(=O)cc(C)n2Cc1cc2ccccc2cc1O ZINC001236831482 1099817069 /nfs/dbraw/zinc/81/70/69/1099817069.db2.gz HODLNEBAAZDLKI-UHFFFAOYSA-N 0 0 319.364 3.020 20 10 DGCDRN Oc1cc2ccccc2cc1CN1CC(N2CCC(F)(F)C2)C1 ZINC001236833176 1099821475 /nfs/dbraw/zinc/82/14/75/1099821475.db2.gz PFCMGYZGMRISHD-UHFFFAOYSA-N 0 0 318.367 3.071 20 10 DGCDRN COc1ccc(NC(=O)NCc2cccc(C)c2O)cc1OC ZINC001188816369 1099868761 /nfs/dbraw/zinc/86/87/61/1099868761.db2.gz MVDWAXVCDYHDKI-UHFFFAOYSA-N 0 0 316.357 3.040 20 10 DGCDRN CCOc1ccc(C[N@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)c(O)c1 ZINC001237050034 1099944071 /nfs/dbraw/zinc/94/40/71/1099944071.db2.gz NKLBDMRPOSYMIA-ROUUACIJSA-N 0 0 323.392 3.203 20 10 DGCDRN CCOc1ccc(CN2CC(F)(F)C[C@]2(C)CF)c(O)c1 ZINC001237050747 1099945228 /nfs/dbraw/zinc/94/52/28/1099945228.db2.gz WRFKWKORYHALPH-CQSZACIVSA-N 0 0 303.324 3.360 20 10 DGCDRN CC(C)c1ccc(CN2CCO[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001237049102 1099945949 /nfs/dbraw/zinc/94/59/49/1099945949.db2.gz LFBHRGUPPSUKNO-CQSZACIVSA-N 0 0 303.324 3.279 20 10 DGCDRN CC(C)c1nnc2n1CCN(Cc1ccc(C(C)C)cc1O)C2 ZINC001237054207 1099947080 /nfs/dbraw/zinc/94/70/80/1099947080.db2.gz SQBQYTAEQHKECX-UHFFFAOYSA-N 0 0 314.433 3.246 20 10 DGCDRN [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CCC[C@H](CO)CC1 ZINC001237076970 1099954787 /nfs/dbraw/zinc/95/47/87/1099954787.db2.gz BELDXEDYJKPDMX-JTQLQIEISA-N 0 0 304.217 3.293 20 10 DGCDRN [O-]c1ccc(Cl)c(Cl)c1C[NH+]1CC2(C1)CCOCC2 ZINC001237082657 1099962675 /nfs/dbraw/zinc/96/26/75/1099962675.db2.gz SZJAWNBWDDYZHN-UHFFFAOYSA-N 0 0 302.201 3.311 20 10 DGCDRN [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001237085297 1099963397 /nfs/dbraw/zinc/96/33/97/1099963397.db2.gz XRMIYDJDLLZFHX-AWEZNQCLSA-N 0 0 302.201 3.454 20 10 DGCDRN CC(C)[C@@H]1COCCN1Cc1c(O)cccc1OC(F)(F)F ZINC001237124001 1099982841 /nfs/dbraw/zinc/98/28/41/1099982841.db2.gz WTWUSVFYZPFVPP-LBPRGKRZSA-N 0 0 319.323 3.148 20 10 DGCDRN Oc1ccc(C(F)(F)F)cc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001237139920 1099989920 /nfs/dbraw/zinc/98/99/20/1099989920.db2.gz RBRQZJHFOUDEKR-CQSZACIVSA-N 0 0 314.351 3.081 20 10 DGCDRN CCCn1cc(NCc2c(O)cccc2Br)cn1 ZINC000722372464 1100010919 /nfs/dbraw/zinc/01/09/19/1100010919.db2.gz ZDXNQGDDYDKGFK-UHFFFAOYSA-N 0 0 310.195 3.373 20 10 DGCDRN CO[C@H]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)cc(F)c3[O-])C[C@@H]21 ZINC001237618565 1100190608 /nfs/dbraw/zinc/19/06/08/1100190608.db2.gz IWMOJTXJDFNVMG-DGFSRKRXSA-N 0 0 313.800 3.432 20 10 DGCDRN OC[C@]1(F)CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237642027 1100198849 /nfs/dbraw/zinc/19/88/49/1100198849.db2.gz XGLIWMMOCCERQS-SFHVURJKSA-N 0 0 319.351 3.105 20 10 DGCDRN Cc1cc(O)c(CN2CC(F)(C3CC3)C2)cc1Br ZINC001237678173 1100211785 /nfs/dbraw/zinc/21/17/85/1100211785.db2.gz VQZRQVUUIWJAQQ-UHFFFAOYSA-N 0 0 314.198 3.397 20 10 DGCDRN COc1cc(C[N@@H+]2CCc3ccc(F)cc3C2)c(O)c(OC)c1 ZINC001237679494 1100212189 /nfs/dbraw/zinc/21/21/89/1100212189.db2.gz WEXVBQMUEUXAJK-UHFFFAOYSA-N 0 0 317.360 3.107 20 10 DGCDRN COc1cc(C[N@@H+]2CCc3cc(F)ccc3C2)c(O)c(OC)c1 ZINC001237679778 1100212508 /nfs/dbraw/zinc/21/25/08/1100212508.db2.gz DZJJMSLHOSIMAR-UHFFFAOYSA-N 0 0 317.360 3.107 20 10 DGCDRN Cc1cc(O)c(CN2CCn3cccc3C2)cc1Br ZINC001237677748 1100213193 /nfs/dbraw/zinc/21/31/93/1100213193.db2.gz CZCGLPUPXNXRMT-UHFFFAOYSA-N 0 0 321.218 3.280 20 10 DGCDRN CC[C@H](C)[C@@H](C(=O)OC)N(C)Cc1cc(Cl)cc(C)c1O ZINC001237687471 1100214148 /nfs/dbraw/zinc/21/41/48/1100214148.db2.gz CXMVHZZSSQTCJU-HZMBPMFUSA-N 0 0 313.825 3.374 20 10 DGCDRN Cc1cc(Cl)cc(CN2CCN(C(=O)CC(C)C)CC2)c1O ZINC001237686746 1100214361 /nfs/dbraw/zinc/21/43/61/1100214361.db2.gz MVNDOTFFZWDYOW-UHFFFAOYSA-N 0 0 324.852 3.044 20 10 DGCDRN Cc1cc(Cl)cc(CN2CCO[C@@H](c3ccccn3)C2)c1O ZINC001237687336 1100215024 /nfs/dbraw/zinc/21/50/24/1100215024.db2.gz XJUHIPFFUZLINW-MRXNPFEDSA-N 0 0 318.804 3.323 20 10 DGCDRN [O-]c1c(Cl)cc(F)cc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001237799538 1100251096 /nfs/dbraw/zinc/25/10/96/1100251096.db2.gz RLXRBTCEWFLMFL-CQSZACIVSA-N 0 0 312.816 3.245 20 10 DGCDRN CC(C)(C)[NH+]1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237798518 1100251919 /nfs/dbraw/zinc/25/19/19/1100251919.db2.gz HQDFBICQCIBHHO-UHFFFAOYSA-N 0 0 300.805 3.101 20 10 DGCDRN C[C@@]1(CO)CCC[N@H+](Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237935762 1100296701 /nfs/dbraw/zinc/29/67/01/1100296701.db2.gz YQPRWFVHXMUZDV-OAHLLOKOSA-N 0 0 301.789 3.169 20 10 DGCDRN C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1cc(F)c(Cl)cc1O ZINC001237950610 1100300321 /nfs/dbraw/zinc/30/03/21/1100300321.db2.gz XPHQXCHDJXNNSN-VIFPVBQESA-N 0 0 317.788 3.347 20 10 DGCDRN Cc1ccc(F)cc1NC(=O)N1CCc2cccc(O)c2C1 ZINC001191398268 1100457019 /nfs/dbraw/zinc/45/70/19/1100457019.db2.gz HUAQJISPHBDYHX-UHFFFAOYSA-N 0 0 300.333 3.430 20 10 DGCDRN Cc1nnc(-c2ccc(-c3ccc(C4=S=CC=C4)nn3)cc2)o1 ZINC001239012863 1100573573 /nfs/dbraw/zinc/57/35/73/1100573573.db2.gz RNHGBKDLYSZXHB-UHFFFAOYSA-N 0 0 320.377 3.128 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2ccc3c(c2)NC(=O)CO3)cn1 ZINC001239094510 1100587843 /nfs/dbraw/zinc/58/78/43/1100587843.db2.gz RGKIJJQCTNLSCX-UHFFFAOYSA-N 0 0 319.364 3.487 20 10 DGCDRN O=C(c1cccnc1-c1cccnc1)N1CCc2ccccc21 ZINC001239568378 1100691569 /nfs/dbraw/zinc/69/15/69/1100691569.db2.gz WQRYPQYROSZYKS-UHFFFAOYSA-N 0 0 301.349 3.347 20 10 DGCDRN O=C(Nc1ncnc2sccc21)c1ccc(O)c(O)c1Cl ZINC001193210332 1100717418 /nfs/dbraw/zinc/71/74/18/1100717418.db2.gz XREPXHSKMWRNRF-UHFFFAOYSA-N 0 0 321.745 3.008 20 10 DGCDRN COc1ccc(-c2ccn(Cc3cccc(F)c3)c(=O)c2)cn1 ZINC001239727396 1100735334 /nfs/dbraw/zinc/73/53/34/1100735334.db2.gz AQLAEOYOMUSDCR-UHFFFAOYSA-N 0 0 310.328 3.106 20 10 DGCDRN CCCCOC(=O)N1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001193687038 1100790609 /nfs/dbraw/zinc/79/06/09/1100790609.db2.gz JVFSNEXBZJSWKC-UHFFFAOYSA-N 0 0 316.401 3.482 20 10 DGCDRN Cc1cc(-c2nccn2C)c(-c2cncc3ccccc32)nn1 ZINC001239944407 1100806864 /nfs/dbraw/zinc/80/68/64/1100806864.db2.gz AGGUHTNAYWHWMF-UHFFFAOYSA-N 0 0 301.353 3.401 20 10 DGCDRN CCCC[C@H](CC)COC(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001193983910 1100849320 /nfs/dbraw/zinc/84/93/20/1100849320.db2.gz OFSXASBJEHITMA-LBPRGKRZSA-N 0 0 323.389 3.223 20 10 DGCDRN Cc1c(-c2ncnc3c2ccn3Cc2ccc(F)cc2)cnn1C ZINC001240378366 1100965996 /nfs/dbraw/zinc/96/59/96/1100965996.db2.gz BDROGXCDILGWDG-UHFFFAOYSA-N 0 0 321.359 3.328 20 10 DGCDRN COC(=O)c1cc2ccc(-c3cnc4[nH]ccc4c3)cc2n1C ZINC001240393300 1100974399 /nfs/dbraw/zinc/97/43/99/1100974399.db2.gz ZLGUDIWBBOJEGG-UHFFFAOYSA-N 0 0 305.337 3.460 20 10 DGCDRN Cc1cc(NS(=O)(=O)c2c(C)cccc2C)c(C)cc1O ZINC001194634388 1100978863 /nfs/dbraw/zinc/97/88/63/1100978863.db2.gz RJJFBWWAFINZMW-UHFFFAOYSA-N 0 0 305.399 3.427 20 10 DGCDRN CC(C)CCn1cc(-c2ccn(Cc3ccncc3)c(=O)c2)cn1 ZINC001240420964 1100989821 /nfs/dbraw/zinc/98/98/21/1100989821.db2.gz KFGKQUQSYSQONZ-UHFFFAOYSA-N 0 0 322.412 3.201 20 10 DGCDRN CSc1ncc2ncnc(-c3ccc4ccn(C)c4c3)c2n1 ZINC001240570186 1101055165 /nfs/dbraw/zinc/05/51/65/1101055165.db2.gz DUVPJDIWKOPNSB-UHFFFAOYSA-N 0 0 307.382 3.300 20 10 DGCDRN CCOC(=O)c1ncn2cc(-c3ccc4ccn(C)c4c3)cnc12 ZINC001240574119 1101056195 /nfs/dbraw/zinc/05/61/95/1101056195.db2.gz UHIUUWAGXPDYAU-UHFFFAOYSA-N 0 0 320.352 3.065 20 10 DGCDRN Cn1ccc2ccc(-c3cccn(-c4ccncc4)c3=O)cc21 ZINC001240576666 1101056823 /nfs/dbraw/zinc/05/68/23/1101056823.db2.gz VZFBNCLHOXKBHW-UHFFFAOYSA-N 0 0 301.349 3.391 20 10 DGCDRN Cc1cccc(Cl)c1S(=O)(=O)Nc1ccc(O)cc1F ZINC001195308763 1101118936 /nfs/dbraw/zinc/11/89/36/1101118936.db2.gz TYEDCCAYAHTSPD-UHFFFAOYSA-N 0 0 315.753 3.294 20 10 DGCDRN CCNC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccn1 ZINC001195347012 1101123360 /nfs/dbraw/zinc/12/33/60/1101123360.db2.gz CHEPAPMLBXLECD-UHFFFAOYSA-N 0 0 319.817 3.272 20 10 DGCDRN Cc1c[nH]c2ncc(-c3ccn(Cc4ccccn4)c(=O)c3)cc12 ZINC001240963400 1101199657 /nfs/dbraw/zinc/19/96/57/1101199657.db2.gz PJTZRWQXFPNGST-UHFFFAOYSA-N 0 0 316.364 3.143 20 10 DGCDRN CC(C)Oc1ccc(C(=O)NCc2ccccc2O)c(F)c1 ZINC001195807128 1101206244 /nfs/dbraw/zinc/20/62/44/1101206244.db2.gz UNKNYJFOPMYLCN-UHFFFAOYSA-N 0 0 303.333 3.249 20 10 DGCDRN CC(=O)Nc1ccc(C(F)(F)F)cc1-c1ccn(C)c(=O)c1 ZINC001240986939 1101210442 /nfs/dbraw/zinc/21/04/42/1101210442.db2.gz ZTARMNOHHWJZDT-UHFFFAOYSA-N 0 0 310.275 3.030 20 10 DGCDRN CCOc1ccnc(CNC(=S)Nc2cc(F)ccc2C)c1 ZINC001195944219 1101219211 /nfs/dbraw/zinc/21/92/11/1101219211.db2.gz JRQDYPCYVGHPAL-UHFFFAOYSA-N 0 0 319.405 3.414 20 10 DGCDRN COc1cccc(NC(=S)NCc2cc(Cl)ccn2)c1 ZINC001196009537 1101234625 /nfs/dbraw/zinc/23/46/25/1101234625.db2.gz ZPXXEIJKVFTMTR-UHFFFAOYSA-N 0 0 307.806 3.230 20 10 DGCDRN COc1ccccc1NC(=S)NCc1nc(C)ccc1F ZINC001196269080 1101275392 /nfs/dbraw/zinc/27/53/92/1101275392.db2.gz BREMMJPSTLGTCP-UHFFFAOYSA-N 0 0 305.378 3.024 20 10 DGCDRN COC(=O)c1cc(OC)c(C2=CCN(c3ccccc3)CC2)cn1 ZINC001241355073 1101400248 /nfs/dbraw/zinc/40/02/48/1101400248.db2.gz MKKBCBCUPOCQIJ-UHFFFAOYSA-N 0 0 324.380 3.171 20 10 DGCDRN Fc1cc(F)c(F)c(NC(=S)NCc2ccccn2)c1F ZINC001197366572 1101556591 /nfs/dbraw/zinc/55/65/91/1101556591.db2.gz WVYWPKHPQSRIGU-UHFFFAOYSA-N 0 0 315.295 3.125 20 10 DGCDRN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)Cc1cccnc1 ZINC001197457110 1101576810 /nfs/dbraw/zinc/57/68/10/1101576810.db2.gz FBTLHJHPNCRUFU-UHFFFAOYSA-N 0 0 320.414 3.161 20 10 DGCDRN Cn1ccc2ncc(-c3ccc(OC4CCOCC4)nc3)cc21 ZINC001241700151 1101645006 /nfs/dbraw/zinc/64/50/06/1101645006.db2.gz UMQLRWPQDXFYIK-UHFFFAOYSA-N 0 0 309.369 3.193 20 10 DGCDRN COc1cc(C)c(-c2ccn(Cc3ccc(F)cc3)c(=O)c2)cn1 ZINC001241773102 1101697884 /nfs/dbraw/zinc/69/78/84/1101697884.db2.gz VMACVWXRWPNNCV-UHFFFAOYSA-N 0 0 324.355 3.415 20 10 DGCDRN COc1ccnc(CNC(=S)Nc2ccc(C)cc2C)c1 ZINC001198005611 1101724972 /nfs/dbraw/zinc/72/49/72/1101724972.db2.gz CQFVONUJORTWAU-UHFFFAOYSA-N 0 0 301.415 3.194 20 10 DGCDRN Cc1ccc(NC(=S)NCc2cccc3ccnn32)c(C)c1 ZINC001198015111 1101728636 /nfs/dbraw/zinc/72/86/36/1101728636.db2.gz XGYOGJJLLHOGMG-UHFFFAOYSA-N 0 0 310.426 3.438 20 10 DGCDRN C=CS(=O)(=O)Nc1ccccc1C(=O)c1ccc(Cl)cc1 ZINC001198610280 1101924818 /nfs/dbraw/zinc/92/48/18/1101924818.db2.gz JJCLAZGQNGIJMO-UHFFFAOYSA-N 0 0 321.785 3.456 20 10 DGCDRN O=c1cc(-c2ccc(OC(F)F)nc2)ccn1CC(F)(F)F ZINC001242421356 1102121566 /nfs/dbraw/zinc/12/15/66/1102121566.db2.gz JQZRXDYMGZBPFV-UHFFFAOYSA-N 0 0 320.217 3.074 20 10 DGCDRN O=c1cc(-c2c[nH]c3ncccc23)ccn1Cc1ccccc1 ZINC001242863675 1102388010 /nfs/dbraw/zinc/38/80/10/1102388010.db2.gz KFIWUUWKAQUGFM-UHFFFAOYSA-N 0 0 301.349 3.440 20 10 DGCDRN COc1cccc(CNC(=S)Nc2ccc(F)c(C)c2)n1 ZINC001201045555 1102482153 /nfs/dbraw/zinc/48/21/53/1102482153.db2.gz BPZNWTZZLMCKKK-UHFFFAOYSA-N 0 0 305.378 3.024 20 10 DGCDRN Cc1cc(NC(=S)NCc2cccc(O)c2O)ccc1F ZINC001201046586 1102482569 /nfs/dbraw/zinc/48/25/69/1102482569.db2.gz JQVOAGLXTDMGFY-UHFFFAOYSA-N 0 0 306.362 3.032 20 10 DGCDRN COc1cccnc1CNC(=S)Nc1cccc(Cl)c1 ZINC001201107010 1102488386 /nfs/dbraw/zinc/48/83/86/1102488386.db2.gz KVDDCCGIYIMGKM-UHFFFAOYSA-N 0 0 307.806 3.230 20 10 DGCDRN CN(C)c1ccc(/C=C/CNc2ccc(-n3cncn3)cc2)cc1 ZINC001201141002 1102499018 /nfs/dbraw/zinc/49/90/18/1102499018.db2.gz STYIOLUCOUDWHI-ONEGZZNKSA-N 0 0 319.412 3.459 20 10 DGCDRN COc1cc(SC)c(-c2cc(=O)n(C)c3ccccc23)cn1 ZINC001243053084 1102500018 /nfs/dbraw/zinc/50/00/18/1102500018.db2.gz GYDATGMHPPUDBZ-UHFFFAOYSA-N 0 0 312.394 3.331 20 10 DGCDRN CC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)C(F)(F)F ZINC001202065985 1102808356 /nfs/dbraw/zinc/80/83/56/1102808356.db2.gz GGVMJFLFMIAVQX-AWEZNQCLSA-N 0 0 320.330 3.093 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H](CO)CC1CCCC1 ZINC001202159864 1102864971 /nfs/dbraw/zinc/86/49/71/1102864971.db2.gz WJNLRTAOIQZTCD-NSHDSACASA-N 0 0 301.789 3.216 20 10 DGCDRN O=C(Nc1cccc(F)c1)N1CCCc2cc(O)c(O)cc2C1 ZINC001202226953 1102897045 /nfs/dbraw/zinc/89/70/45/1102897045.db2.gz PRLALGFAEPLQKR-UHFFFAOYSA-N 0 0 316.332 3.217 20 10 DGCDRN COc1nccc(SC)c1-c1ccc2ccc(=O)n(C)c2c1 ZINC001243729762 1102945724 /nfs/dbraw/zinc/94/57/24/1102945724.db2.gz OPLOMEPCNTUMBC-UHFFFAOYSA-N 0 0 312.394 3.331 20 10 DGCDRN O=C(NCCCSc1nccs1)[C@H]1CCC[C@@H](F)C1 ZINC001325877749 1103145428 /nfs/dbraw/zinc/14/54/28/1103145428.db2.gz GYSZGUMJAYCFLN-WDEREUQCSA-N 0 0 302.440 3.270 20 10 DGCDRN O=C(NCCCSc1nccs1)[C@H]1CCC[C@H](F)C1 ZINC001325877746 1103145678 /nfs/dbraw/zinc/14/56/78/1103145678.db2.gz GYSZGUMJAYCFLN-QWRGUYRKSA-N 0 0 302.440 3.270 20 10 DGCDRN CC(C)[C@]1(CO)CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001325929362 1103165886 /nfs/dbraw/zinc/16/58/86/1103165886.db2.gz ZGZAQXAIAOTKEB-OAHLLOKOSA-N 0 0 301.789 3.025 20 10 DGCDRN Cn1c(=O)cnc2ccc(-c3ccc(Cl)c4c[nH]nc43)cc21 ZINC001244388567 1103404007 /nfs/dbraw/zinc/40/40/07/1103404007.db2.gz FGVMTMYXAFYAKX-UHFFFAOYSA-N 0 0 310.744 3.130 20 10 DGCDRN O=C(CC1CCSCC1)Nc1c2nonc2ccc1Cl ZINC001327167981 1103563631 /nfs/dbraw/zinc/56/36/31/1103563631.db2.gz VLAJLGNMMIQBLP-UHFFFAOYSA-N 0 0 311.794 3.348 20 10 DGCDRN Cc1cc(C)c(N)c(-c2ccn(Cc3ccccn3)c(=O)c2)c1 ZINC001244617155 1103568279 /nfs/dbraw/zinc/56/82/79/1103568279.db2.gz SZGZUYGZKVXRHH-UHFFFAOYSA-N 0 0 305.381 3.158 20 10 DGCDRN Cc1cc(-c2nnc([C@@H]3CC3[N+](=O)[O-])o2)c(C)n1-c1ccccc1 ZINC001327319038 1103622149 /nfs/dbraw/zinc/62/21/49/1103622149.db2.gz UCTCQVPERFZQNG-HUUCEWRRSA-N 0 0 324.340 3.277 20 10 DGCDRN CO[C@H](CSc1ncc(-c2ccccc2)n1C)[C@@H]1CCOC1 ZINC001327518605 1103671053 /nfs/dbraw/zinc/67/10/53/1103671053.db2.gz RZXFTMDQSOILSF-GDBMZVCRSA-N 0 0 318.442 3.231 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)OC[C@H](C)O)c1 ZINC001327717582 1103714337 /nfs/dbraw/zinc/71/43/37/1103714337.db2.gz XGBIYNDRGBWAGO-LBPRGKRZSA-N 0 0 307.777 3.285 20 10 DGCDRN CC(C)(C)NC(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001202484248 1103760287 /nfs/dbraw/zinc/76/02/87/1103760287.db2.gz FORBPNGEDOBFBW-UHFFFAOYSA-N 0 0 307.781 3.192 20 10 DGCDRN O=c1cc(-c2cncn2Cc2ccccc2)ccn1CC1CC1 ZINC001245202368 1103908480 /nfs/dbraw/zinc/90/84/80/1103908480.db2.gz ZLDKAWKBYARRAO-UHFFFAOYSA-N 0 0 305.381 3.170 20 10 DGCDRN CN(C)c1cc(F)c(CNc2cc3n(n2)CCCC3)cc1F ZINC001328705368 1104027958 /nfs/dbraw/zinc/02/79/58/1104027958.db2.gz YXEHFUYYOWFCEM-UHFFFAOYSA-N 0 0 306.360 3.176 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)C1CC2(CC2(F)F)C1 ZINC001329071554 1104143390 /nfs/dbraw/zinc/14/33/90/1104143390.db2.gz UYKBRNHJSVKLIS-UHFFFAOYSA-N 0 0 313.691 3.250 20 10 DGCDRN CC[C@@H](C)N1CC[C@@]2(CCCN2c2ccc(OC)cc2)C1=O ZINC001274792013 1104498384 /nfs/dbraw/zinc/49/83/84/1104498384.db2.gz XXJUPSFMIJOFCT-KDOFPFPSSA-N 0 0 302.418 3.065 20 10 DGCDRN CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2c1ccc(OCC)cc1 ZINC001274793983 1104499027 /nfs/dbraw/zinc/49/90/27/1104499027.db2.gz QIYSFTUBESKWOV-QZTJIDSGSA-N 0 0 316.445 3.455 20 10 DGCDRN CC[C@@H](C)N1CC[C@]2(CCCN2c2ccc(OC)c(F)c2)C1=O ZINC001274862035 1104523710 /nfs/dbraw/zinc/52/37/10/1104523710.db2.gz PNSQKGRRIAXJGU-FZKQIMNGSA-N 0 0 320.408 3.204 20 10 DGCDRN C[C@H](CC(=O)Nc1c2nonc2ccc1Cl)c1ccncc1 ZINC001330418859 1104549559 /nfs/dbraw/zinc/54/95/59/1104549559.db2.gz PBVYLICVOKNKCF-SECBINFHSA-N 0 0 316.748 3.404 20 10 DGCDRN CS[C@H]1CC[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001330852343 1104662727 /nfs/dbraw/zinc/66/27/27/1104662727.db2.gz DBKKBCYDRDWHSC-OLZOCXBDSA-N 0 0 320.418 3.205 20 10 DGCDRN Fc1cnc(CNC(=S)Nc2c(F)cccc2F)c(F)c1 ZINC001247101899 1104800992 /nfs/dbraw/zinc/80/09/92/1104800992.db2.gz UHJXNXSSPNYLGU-UHFFFAOYSA-N 0 0 315.295 3.125 20 10 DGCDRN CCOc1ccnc(CNC(=S)Nc2c(F)cccc2F)c1 ZINC001247120881 1104809663 /nfs/dbraw/zinc/80/96/63/1104809663.db2.gz RDOBBDFROIROKT-UHFFFAOYSA-N 0 0 323.368 3.245 20 10 DGCDRN CCc1ccc(NC(=S)NCc2cc(OC)ccn2)cc1 ZINC001247356626 1104876860 /nfs/dbraw/zinc/87/68/60/1104876860.db2.gz RVWHKQNCOWWNHM-UHFFFAOYSA-N 0 0 301.415 3.139 20 10 DGCDRN Cc1cccc(CNC(=S)Nc2c(F)cc(F)cc2F)n1 ZINC001247369440 1104881797 /nfs/dbraw/zinc/88/17/97/1104881797.db2.gz IPRCGHKRHSDJEE-UHFFFAOYSA-N 0 0 311.332 3.294 20 10 DGCDRN Oc1ccccc1CNC(=S)Nc1c(F)cc(F)cc1F ZINC001247437482 1104902524 /nfs/dbraw/zinc/90/25/24/1104902524.db2.gz HDLHDEJDGQVQEP-UHFFFAOYSA-N 0 0 312.316 3.296 20 10 DGCDRN CC(=O)N[C@@H](C)c1nc(-c2ccc(-n3c(C)ccc3C)cc2)no1 ZINC001247532165 1104919845 /nfs/dbraw/zinc/91/98/45/1104919845.db2.gz IMGWSKMDXRDRRG-ZDUSSCGKSA-N 0 0 324.384 3.341 20 10 DGCDRN COc1ccc(-c2noc(Cc3ccc(O)c(O)c3)n2)c(C)c1 ZINC001247958879 1105021586 /nfs/dbraw/zinc/02/15/86/1105021586.db2.gz HATIXSHSFLAOBI-UHFFFAOYSA-N 0 0 312.325 3.056 20 10 DGCDRN Cn1ccc2ccc(-c3noc(Cc4ccc(O)c(O)c4)n3)cc21 ZINC001247958922 1105021693 /nfs/dbraw/zinc/02/16/93/1105021693.db2.gz JLRCYNSZTHSITJ-UHFFFAOYSA-N 0 0 321.336 3.230 20 10 DGCDRN Cc1cccc(-c2noc(Cc3ccc(O)c(O)c3)n2)c1F ZINC001247959735 1105021873 /nfs/dbraw/zinc/02/18/73/1105021873.db2.gz VLGAMUXMLTTYMJ-UHFFFAOYSA-N 0 0 300.289 3.186 20 10 DGCDRN COCc1cccc(-c2noc(/C=C/c3ccc(O)c(O)c3)n2)c1 ZINC001247982032 1105027891 /nfs/dbraw/zinc/02/78/91/1105027891.db2.gz MSOOMUBWGKBMFR-SOFGYWHQSA-N 0 0 324.336 3.465 20 10 DGCDRN Cc1cc(-c2noc(Cc3ccc(N)cc3)n2)c(F)cc1F ZINC001248184567 1105062960 /nfs/dbraw/zinc/06/29/60/1105062960.db2.gz ZBAKFIOZMXCZLS-UHFFFAOYSA-N 0 0 301.296 3.496 20 10 DGCDRN Nc1ccc(Cc2nc(-c3cccc(OC4CC4)c3)no2)cc1 ZINC001248184470 1105063103 /nfs/dbraw/zinc/06/31/03/1105063103.db2.gz WFSBCTUQPGDVGN-UHFFFAOYSA-N 0 0 307.353 3.451 20 10 DGCDRN CC(=O)OCc1nc(-c2ccc(-n3c(C)ccc3C)cc2)no1 ZINC001248560641 1105129347 /nfs/dbraw/zinc/12/93/47/1105129347.db2.gz CAXJCUJSFZOLJA-UHFFFAOYSA-N 0 0 311.341 3.207 20 10 DGCDRN CN(CCNC(=S)Nc1cc(F)ccc1F)c1ccccc1 ZINC001248612007 1105136748 /nfs/dbraw/zinc/13/67/48/1105136748.db2.gz RXQGRVUIVLDFEB-UHFFFAOYSA-N 0 0 321.396 3.388 20 10 DGCDRN CCc1cccc(CC)c1NC(=S)NCc1ncccc1O ZINC001248695777 1105146644 /nfs/dbraw/zinc/14/66/44/1105146644.db2.gz VSCQNTAORGSNMH-UHFFFAOYSA-N 0 0 315.442 3.399 20 10 DGCDRN Cc1ccc2[nH]c(CN3CCCc4cc(O)c(O)cc4C3)nc2c1 ZINC001248843591 1105177327 /nfs/dbraw/zinc/17/73/27/1105177327.db2.gz SRJSTFUAUFNJMO-UHFFFAOYSA-N 0 0 323.396 3.231 20 10 DGCDRN CC(C)(C)c1cc(O)c(CN2C[C@@H](F)C[C@H]2CO)cc1Cl ZINC001248881214 1105185574 /nfs/dbraw/zinc/18/55/74/1105185574.db2.gz TUNGKNHYSIZVNB-RYUDHWBXSA-N 0 0 315.816 3.248 20 10 DGCDRN Cc1oc(Br)nc1CN1CCc2cccc(O)c2C1 ZINC001249390530 1105278686 /nfs/dbraw/zinc/27/86/86/1105278686.db2.gz UXYOJQVPGNUUNG-UHFFFAOYSA-N 0 0 323.190 3.009 20 10 DGCDRN CCc1cccc(C)c1NC(=S)NCc1ccc(O)c(O)c1 ZINC001249575816 1105319375 /nfs/dbraw/zinc/31/93/75/1105319375.db2.gz VHHATKLHMKWDDW-UHFFFAOYSA-N 0 0 316.426 3.455 20 10 DGCDRN C[C@H](NC(=S)Nc1cccc(O)c1O)c1ccc(F)cc1 ZINC001249604224 1105329451 /nfs/dbraw/zinc/32/94/51/1105329451.db2.gz MSFPIALVGIJJET-VIFPVBQESA-N 0 0 306.362 3.285 20 10 DGCDRN Cc1cc(CN2CCC(F)(F)C2)c(O)cc1Br ZINC001250120331 1105445383 /nfs/dbraw/zinc/44/53/83/1105445383.db2.gz BGXMGNHQKFRZEX-UHFFFAOYSA-N 0 0 306.150 3.304 20 10 DGCDRN Cc1cc(CN2C[C@@H](C)O[C@@H](C)C2)c(O)cc1Br ZINC001250116612 1105444578 /nfs/dbraw/zinc/44/45/78/1105444578.db2.gz DOYBTSBPVVTUEP-PHIMTYICSA-N 0 0 314.223 3.072 20 10 DGCDRN CN(c1ccc(N)cc1)c1cc(OC(F)(F)F)ccc1CO ZINC001250273966 1105485956 /nfs/dbraw/zinc/48/59/56/1105485956.db2.gz LJUHOGBBOGUONU-UHFFFAOYSA-N 0 0 312.291 3.428 20 10 DGCDRN COc1cc(F)c(C(=O)N(C)Cc2ccccc2O)c(Cl)c1 ZINC001137345337 1105492510 /nfs/dbraw/zinc/49/25/10/1105492510.db2.gz DJYYXBRZVFSFPW-UHFFFAOYSA-N 0 0 323.751 3.466 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2C=CCCC2)cc1 ZINC001252860933 1105845786 /nfs/dbraw/zinc/84/57/86/1105845786.db2.gz QXJRMHLGCZMISK-INIZCTEOSA-N 0 0 301.434 3.441 20 10 DGCDRN CCc1ccc(-c2nnc([C@H](O)c3ccc(N(C)C)cc3)o2)cc1 ZINC001252992974 1105868778 /nfs/dbraw/zinc/86/87/78/1105868778.db2.gz YXKPODJECLLKTN-QGZVFWFLSA-N 0 0 323.396 3.447 20 10 DGCDRN O=S(=O)(/C=C/c1ccccc1)Nc1cc(F)c(O)c(F)c1 ZINC001253037828 1105881646 /nfs/dbraw/zinc/88/16/46/1105881646.db2.gz HRWQYTVTIARXTG-VOTSOKGWSA-N 0 0 311.309 3.083 20 10 DGCDRN COc1cc(/C=C/c2nnc(-c3ccccc3)o2)cc(O)c1O ZINC001253108775 1105890570 /nfs/dbraw/zinc/89/05/70/1105890570.db2.gz XUJRCKHVPPDCTL-BQYQJAHWSA-N 0 0 310.309 3.327 20 10 DGCDRN Nc1ccc(CCn2cc(-c3ccc4ncccc4c3)nn2)cc1 ZINC001254081300 1106015415 /nfs/dbraw/zinc/01/54/15/1106015415.db2.gz PWCDTOJDFWRRRX-UHFFFAOYSA-N 0 0 315.380 3.318 20 10 DGCDRN COc1ccc(-c2cn(CCc3ccc(N)cc3)nn2)c(C)c1 ZINC001254081011 1106015852 /nfs/dbraw/zinc/01/58/52/1106015852.db2.gz HBSHJNNTFJSIBM-UHFFFAOYSA-N 0 0 308.385 3.087 20 10 DGCDRN Oc1cc(-c2nnc(Cc3ccc(Cl)cc3)o2)cc(O)c1O ZINC001254229222 1106040523 /nfs/dbraw/zinc/04/05/23/1106040523.db2.gz NRHMYIJAZIYPHZ-UHFFFAOYSA-N 0 0 318.716 3.098 20 10 DGCDRN CCc1ccc(S(=O)(=O)Nc2ccc(O)c(F)c2F)cc1 ZINC001255067674 1106174331 /nfs/dbraw/zinc/17/43/31/1106174331.db2.gz HBGBBVCUGHAFAS-UHFFFAOYSA-N 0 0 313.325 3.034 20 10 DGCDRN COc1ccc(N2CCN([C@@H](C)CC(F)(F)F)CC2)cc1 ZINC001255647579 1106284651 /nfs/dbraw/zinc/28/46/51/1106284651.db2.gz YTJOIWKFVBMOTG-LBPRGKRZSA-N 0 0 302.340 3.158 20 10 DGCDRN Cc1c(C)c(NS(=O)(=O)c2cccc(Cl)c2)ccc1O ZINC001256796481 1106485621 /nfs/dbraw/zinc/48/56/21/1106485621.db2.gz WGTDFEXICZFYKS-UHFFFAOYSA-N 0 0 311.790 3.463 20 10 DGCDRN Cc1c(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)cnn1C ZINC001256940847 1106514603 /nfs/dbraw/zinc/51/46/03/1106514603.db2.gz MHPAIQVZUBFAFE-UHFFFAOYSA-N 0 0 305.341 3.236 20 10 DGCDRN Cc1cc(=O)c(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)c[nH]1 ZINC001256940407 1106514697 /nfs/dbraw/zinc/51/46/97/1106514697.db2.gz FKMGYGAPEHNDNV-UHFFFAOYSA-N 0 0 318.336 3.191 20 10 DGCDRN CCc1nccn1Cc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256951419 1106515452 /nfs/dbraw/zinc/51/54/52/1106515452.db2.gz HTHXGPADOHGYAG-UHFFFAOYSA-N 0 0 319.368 3.335 20 10 DGCDRN C[C@@](O)(c1nnc(-c2ccc(-n3cccc3)cc2)o1)C(F)(F)F ZINC001256961618 1106516107 /nfs/dbraw/zinc/51/61/07/1106516107.db2.gz SGRVXXQNAFYMDE-CQSZACIVSA-N 0 0 323.274 3.297 20 10 DGCDRN OCc1ccnc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)c1 ZINC001256978826 1106519675 /nfs/dbraw/zinc/51/96/75/1106519675.db2.gz UZFRYCTXLFBVGK-UHFFFAOYSA-N 0 0 318.336 3.082 20 10 DGCDRN Cc1ccc(CS(=O)(=O)Nc2c(C)cc(O)cc2C)cc1 ZINC001259265542 1107111336 /nfs/dbraw/zinc/11/13/36/1107111336.db2.gz QJSULISGQPQEII-UHFFFAOYSA-N 0 0 305.399 3.259 20 10 DGCDRN CC[NH+](CC)C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC001320716366 1107114582 /nfs/dbraw/zinc/11/45/82/1107114582.db2.gz DLXAXBKOXXHRNN-UHFFFAOYSA-N 0 0 314.832 3.491 20 10 DGCDRN Cc1cccc(CS(=O)(=O)Nc2ccc(O)c(C)c2C)c1 ZINC001259749022 1107189573 /nfs/dbraw/zinc/18/95/73/1107189573.db2.gz AMNRLWZBSCCVSG-UHFFFAOYSA-N 0 0 305.399 3.259 20 10 DGCDRN Cc1ccccc1CS(=O)(=O)Nc1ccc(O)c(C)c1C ZINC001260022317 1107237920 /nfs/dbraw/zinc/23/79/20/1107237920.db2.gz NYZIVOFFZBPMGQ-UHFFFAOYSA-N 0 0 305.399 3.259 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ncc(Cl)s1 ZINC001321180337 1107275203 /nfs/dbraw/zinc/27/52/03/1107275203.db2.gz VGVKGYSTXSDBLQ-UHFFFAOYSA-N 0 0 321.833 3.327 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC001261377031 1107423760 /nfs/dbraw/zinc/42/37/60/1107423760.db2.gz GEXAFTDNHBNLQK-JKSUJKDBSA-N 0 0 301.434 3.033 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC001261377030 1107424171 /nfs/dbraw/zinc/42/41/71/1107424171.db2.gz GEXAFTDNHBNLQK-HZPDHXFCSA-N 0 0 301.434 3.033 20 10 DGCDRN CS[C@@H]1CCC[C@@H](NC(=O)N[C@H](C)c2ccccc2O)C1 ZINC001261962511 1107565509 /nfs/dbraw/zinc/56/55/09/1107565509.db2.gz XCWBKRXPHIUHJO-JHJVBQTASA-N 0 0 308.447 3.427 20 10 DGCDRN c1nnc(NCc2ccc(N3CCCC3)cc2)n1-c1ccccc1 ZINC001322209780 1107570960 /nfs/dbraw/zinc/57/09/60/1107570960.db2.gz UBMNABFTIABOIE-UHFFFAOYSA-N 0 0 319.412 3.480 20 10 DGCDRN Cc1ccc(CC(=O)Nc2c3nonc3ccc2Cl)s1 ZINC001322263072 1107600578 /nfs/dbraw/zinc/60/05/78/1107600578.db2.gz BYPQETDZGQDBEU-UHFFFAOYSA-N 0 0 307.762 3.427 20 10 DGCDRN Cc1coc(C(=O)NCc2cccc(Br)c2O)c1C ZINC001322488612 1107687289 /nfs/dbraw/zinc/68/72/89/1107687289.db2.gz TWJXUBXJYXRUOP-UHFFFAOYSA-N 0 0 324.174 3.295 20 10 DGCDRN Nc1ccc(CNC(=O)N2CCC[C@H](Cc3ccccc3)C2)cc1 ZINC001262603806 1107735067 /nfs/dbraw/zinc/73/50/67/1107735067.db2.gz VWZXKIPCCCZDKO-GOSISDBHSA-N 0 0 323.440 3.433 20 10 DGCDRN CCC[C@@H]1C[C@@H](C(=O)Nc2c3nonc3ccc2Cl)CCO1 ZINC001323420856 1107968785 /nfs/dbraw/zinc/96/87/85/1107968785.db2.gz ZOSXNTLMGMAIOD-VHSXEESVSA-N 0 0 323.780 3.410 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCc1cccc(Cl)c1F ZINC001323568956 1108017204 /nfs/dbraw/zinc/01/72/04/1108017204.db2.gz HBWZNEBHFAJIBU-ALCCZGGFSA-N 0 0 321.735 3.220 20 10 DGCDRN CCCOC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000586478069 1108090835 /nfs/dbraw/zinc/09/08/35/1108090835.db2.gz CGHLLVINANGYPB-UHFFFAOYSA-N 0 0 309.321 3.421 20 10 DGCDRN Cc1cccc2nc(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cn21 ZINC001324138619 1108187390 /nfs/dbraw/zinc/18/73/90/1108187390.db2.gz HUQAVGSDWHWDRZ-AWEZNQCLSA-N 0 0 322.412 3.200 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CC(C)(C)C2(C)C)cc1F ZINC001319038609 1108288591 /nfs/dbraw/zinc/28/85/91/1108288591.db2.gz SAQKPZHSFVHUDQ-UHFFFAOYSA-N 0 0 307.413 3.222 20 10 DGCDRN FC(F)c1ccnc(CNCc2ccc(N3CCCC3)cc2)n1 ZINC001324454282 1108294785 /nfs/dbraw/zinc/29/47/85/1108294785.db2.gz IGHIDGRHPILVTR-UHFFFAOYSA-N 0 0 318.371 3.304 20 10 DGCDRN COC(=O)CN(Cc1cc(C(C)(C)C)cc(O)c1O)CC(C)C ZINC001319076162 1108303983 /nfs/dbraw/zinc/30/39/83/1108303983.db2.gz FENXZMKQXZYGQJ-UHFFFAOYSA-N 0 0 323.433 3.026 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cnc(C3CC3)[nH]2)cc1 ZINC001319163286 1108343848 /nfs/dbraw/zinc/34/38/48/1108343848.db2.gz VBYXWLNFFLYZQJ-UHFFFAOYSA-N 0 0 312.417 3.063 20 10 DGCDRN CN(C)c1ccc(CNC(=O)/C=C/COc2ccccc2)cc1 ZINC001264262220 1108450031 /nfs/dbraw/zinc/45/00/31/1108450031.db2.gz XQGLNEZODOKKIT-RMKNXTFCSA-N 0 0 310.397 3.004 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccnc(-c3ccco3)c2)cc1 ZINC001264262194 1108450305 /nfs/dbraw/zinc/45/03/05/1108450305.db2.gz WWZSTQHGZQXAJH-UHFFFAOYSA-N 0 0 321.380 3.338 20 10 DGCDRN COC(C)(C)CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001264287244 1108456040 /nfs/dbraw/zinc/45/60/40/1108456040.db2.gz PBODXBCTKKTALL-UHFFFAOYSA-N 0 0 304.434 3.060 20 10 DGCDRN Cc1ccc(C2=N/C(=C\c3ccc4c(c3)CCN4C)C(=O)O2)s1 ZINC001319507693 1108497607 /nfs/dbraw/zinc/49/76/07/1108497607.db2.gz AMZPJDFSEPEGPT-UVTDQMKNSA-N 0 0 324.405 3.393 20 10 DGCDRN Oc1cc2c(cc1CN1CCc3ccc(Cl)cc3C1)OCO2 ZINC001319657746 1108580405 /nfs/dbraw/zinc/58/04/05/1108580405.db2.gz YJWVYVDQTSNDHI-UHFFFAOYSA-N 0 0 317.772 3.333 20 10 DGCDRN CCN1CCN(C(=O)/C=C/c2ccc(C)nc2)c2ccccc21 ZINC001325303157 1108618087 /nfs/dbraw/zinc/61/80/87/1108618087.db2.gz OXJSBUFLDHRLPW-ZHACJKMWSA-N 0 0 307.397 3.276 20 10 DGCDRN CCOc1ccc(N2CCN([C@@H](C)c3ncc(C)o3)CC2)cc1 ZINC001319753426 1108622783 /nfs/dbraw/zinc/62/27/83/1108622783.db2.gz KEEATXGTDJJCFJ-HNNXBMFYSA-N 0 0 315.417 3.265 20 10 DGCDRN c1coc([C@@H]2COCCN2Cc2ccc(N3CCCC3)cc2)c1 ZINC001319949682 1108710614 /nfs/dbraw/zinc/71/06/14/1108710614.db2.gz BURJIDAOPAKKIW-SFHVURJKSA-N 0 0 312.413 3.453 20 10 DGCDRN Cc1cncc(/C=C\C(=O)N(C)c2cccnc2N2CCCC2)c1 ZINC001265726092 1108982088 /nfs/dbraw/zinc/98/20/88/1108982088.db2.gz MALPTIKBMKPCQP-FPLPWBNLSA-N 0 0 322.412 3.061 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H](C)Oc2ccccc2Cl)c1 ZINC001301046540 1111079793 /nfs/dbraw/zinc/07/97/93/1111079793.db2.gz FRCGYWJGWSWKFU-GFCCVEGCSA-N 0 0 319.788 3.438 20 10 DGCDRN Cc1ccc2c(CC(=O)NCc3cc(C)ccc3O)c[nH]c2c1 ZINC001301046512 1111079851 /nfs/dbraw/zinc/07/98/51/1111079851.db2.gz DJGGMJUDCMKXSZ-UHFFFAOYSA-N 0 0 308.381 3.349 20 10 DGCDRN Cc1cc(C(=O)NCc2cc(O)ccc2O)c(C)n1C(C)C ZINC001303223472 1111137550 /nfs/dbraw/zinc/13/75/50/1111137550.db2.gz QYIRQPOCVDNROR-UHFFFAOYSA-N 0 0 302.374 3.027 20 10 DGCDRN O=C(NCC1(c2cccc(F)c2)CCC1)C1=CC(=O)CS1 ZINC001303401098 1111142010 /nfs/dbraw/zinc/14/20/10/1111142010.db2.gz YAAJUKCBRKWLPX-UHFFFAOYSA-N 0 0 305.374 3.445 20 10 DGCDRN CCc1ccc(CCC(=O)NCc2c(O)cccc2F)cc1 ZINC001303878173 1111156454 /nfs/dbraw/zinc/15/64/54/1111156454.db2.gz MTBFXZBRVMNYFU-UHFFFAOYSA-N 0 0 301.361 3.343 20 10 DGCDRN C[C@@H](CC(=O)NCc1c(O)cccc1O)c1ccc(F)cc1F ZINC001304053408 1111163657 /nfs/dbraw/zinc/16/36/57/1111163657.db2.gz KMGHBKHHCIBMRJ-JTQLQIEISA-N 0 0 321.323 3.186 20 10 DGCDRN C[C@@H]1C[C@@H]1n1c(C2CCC2)nnc1N(C)Cc1ccccc1O ZINC001304960755 1111190074 /nfs/dbraw/zinc/19/00/74/1111190074.db2.gz LTQPCQGZACHDLD-DOMZBBRYSA-N 0 0 312.417 3.469 20 10 DGCDRN CCc1cccc(C(=O)NCc2cccc(Cl)c2O)c1O ZINC001305084868 1111192941 /nfs/dbraw/zinc/19/29/41/1111192941.db2.gz OKXVZPRRARMPQJ-UHFFFAOYSA-N 0 0 305.761 3.244 20 10 DGCDRN CSc1cc(C(=O)NCc2cccc(Cl)c2O)ccn1 ZINC001305069485 1111193163 /nfs/dbraw/zinc/19/31/63/1111193163.db2.gz HBSNZQUMTSYIQK-UHFFFAOYSA-N 0 0 308.790 3.093 20 10 DGCDRN Oc1c(CNc2cc(C(F)F)ncn2)ccc2cccnc21 ZINC001307146681 1111271127 /nfs/dbraw/zinc/27/11/27/1111271127.db2.gz WKCJWKZLCHLNPJ-UHFFFAOYSA-N 0 0 302.284 3.280 20 10 DGCDRN CCc1cc(NCc2cc(C)ccc2O)nc(-c2ccncc2)n1 ZINC001307168263 1111274181 /nfs/dbraw/zinc/27/41/81/1111274181.db2.gz AXFWDRZIPBOOAR-UHFFFAOYSA-N 0 0 320.396 3.149 20 10 DGCDRN COC(=O)c1cnc(S[C@H]2CCCc3cccnc32)s1 ZINC001307348121 1111291263 /nfs/dbraw/zinc/29/12/63/1111291263.db2.gz HEVDBPSTUCPVHL-JTQLQIEISA-N 0 0 306.412 3.494 20 10 DGCDRN COc1ccc(N(C)CC(F)(F)Br)c(OC)c1 ZINC001307598125 1111318678 /nfs/dbraw/zinc/31/86/78/1111318678.db2.gz OSPYSHAJKQKWNP-UHFFFAOYSA-N 0 0 310.138 3.128 20 10 DGCDRN CNC(=O)c1ccc(NC/C=C/c2ccc(N(C)C)cc2)cc1 ZINC001308385159 1111424300 /nfs/dbraw/zinc/42/43/00/1111424300.db2.gz KKYFNJJHHKLDIV-SNAWJCMRSA-N 0 0 309.413 3.238 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNc1cccc2c1CCNC2=O ZINC001308435936 1111428779 /nfs/dbraw/zinc/42/87/79/1111428779.db2.gz OQDYIXGLALYOPH-UHFFFAOYSA-N 0 0 319.408 3.385 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cccc2nsnc21 ZINC001308548548 1111441689 /nfs/dbraw/zinc/44/16/89/1111441689.db2.gz XBMBFPNEGJEFCK-UHFFFAOYSA-N 0 0 305.790 3.340 20 10 DGCDRN CC(C)c1ccc(O)c(CN(CC(N)=O)Cc2ccccc2)c1 ZINC001308559817 1111444677 /nfs/dbraw/zinc/44/46/77/1111444677.db2.gz CHWFSDBTIHKMTO-UHFFFAOYSA-N 0 0 312.413 3.003 20 10 DGCDRN CCSc1cc(C[NH2+]Cc2cc(F)c(F)cc2[O-])ccn1 ZINC001308706254 1111463777 /nfs/dbraw/zinc/46/37/77/1111463777.db2.gz KRZIQCCXDMNYPV-UHFFFAOYSA-N 0 0 310.369 3.467 20 10 DGCDRN OC[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)CC[C@H]1C(F)(F)F ZINC001308755147 1111471030 /nfs/dbraw/zinc/47/10/30/1111471030.db2.gz FFFVCTGWRJNUNZ-ZYHUDNBSSA-N 0 0 323.742 3.038 20 10 DGCDRN CCCCCOC1CN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001308807748 1111477880 /nfs/dbraw/zinc/47/78/80/1111477880.db2.gz VQYCNQGRFFKDRR-UHFFFAOYSA-N 0 0 312.404 3.422 20 10 DGCDRN CC[C@H](C(=O)OC(C)(C)C)N(C)Cc1c(C)cc(OC)cc1O ZINC001308844110 1111483305 /nfs/dbraw/zinc/48/33/05/1111483305.db2.gz YAYGVOSDIMGMLT-OAHLLOKOSA-N 0 0 323.433 3.261 20 10 DGCDRN COc1ccc(F)cc1NC(=O)N1Cc2cccc(O)c2C1 ZINC001310441100 1111560169 /nfs/dbraw/zinc/56/01/69/1111560169.db2.gz XSOXGOWQBHNKJF-UHFFFAOYSA-N 0 0 302.305 3.088 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@@H](C)C1CC1 ZINC001311690001 1111614023 /nfs/dbraw/zinc/61/40/23/1111614023.db2.gz QGZNBVQZPHVJFA-CABCVRRESA-N 0 0 317.477 3.337 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC1CCC=CCC1 ZINC001311944442 1111627709 /nfs/dbraw/zinc/62/77/09/1111627709.db2.gz MPKHKFDRDXIUFU-UHFFFAOYSA-N 0 0 301.434 3.359 20 10 DGCDRN COc1ccc(F)cc1CNC(=O)N[C@@H](C)c1ccccc1O ZINC001312559936 1111659754 /nfs/dbraw/zinc/65/97/54/1111659754.db2.gz DWWLJFXUDVTDQX-NSHDSACASA-N 0 0 318.348 3.100 20 10 DGCDRN C[C@H](NC(=O)N[C@@H](C)c1ccccc1O)c1cccc(O)c1 ZINC001312605873 1111662104 /nfs/dbraw/zinc/66/21/04/1111662104.db2.gz GRTLNBDOIVUHOP-RYUDHWBXSA-N 0 0 300.358 3.219 20 10 DGCDRN CC[C@@H](C)CONC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001312765454 1111671391 /nfs/dbraw/zinc/67/13/91/1111671391.db2.gz NFDDCBJOBGQYJR-OAHLLOKOSA-N 0 0 319.449 3.406 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@]1(C)CC1(C)C ZINC001312883731 1111679680 /nfs/dbraw/zinc/67/96/80/1111679680.db2.gz DPRWUTUKOJPVJO-KUHUBIRLSA-N 0 0 317.477 3.480 20 10 DGCDRN C[C@H](NC(=O)NCc1cccc(F)c1F)c1ccccc1O ZINC001313093538 1111694141 /nfs/dbraw/zinc/69/41/41/1111694141.db2.gz PYHDSZIOAGOJND-JTQLQIEISA-N 0 0 306.312 3.231 20 10 DGCDRN Cc1cnc([C@H](C)NC(=O)N(C)Cc2ccccc2O)s1 ZINC000079081431 185155346 /nfs/dbraw/zinc/15/53/46/185155346.db2.gz POFNHPVVSNLYGW-NSHDSACASA-N 0 0 305.403 3.060 20 10 DGCDRN COc1cc(N(C)Cc2nc(C)c(C)s2)cc(OC)c1OC ZINC000088601700 185259760 /nfs/dbraw/zinc/25/97/60/185259760.db2.gz HHAANZWGTNOOHT-UHFFFAOYSA-N 0 0 322.430 3.422 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(OC)cc1O ZINC000092602164 185328706 /nfs/dbraw/zinc/32/87/06/185328706.db2.gz GYRHSHRZEUEYNA-UHFFFAOYSA-N 0 0 315.369 3.159 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000056840909 530003346 /nfs/dbraw/zinc/00/33/46/530003346.db2.gz SDQOIIGDEGZDLC-MRXNPFEDSA-N 0 0 314.360 3.360 20 10 DGCDRN CN(Cc1ccccc1O)c1cccc(C(=O)OC(C)(C)C)n1 ZINC000293152907 530003586 /nfs/dbraw/zinc/00/35/86/530003586.db2.gz UAQZGMBXPYWMIT-UHFFFAOYSA-N 0 0 314.385 3.379 20 10 DGCDRN Cn1ccc(/C=C\C(=O)N2CCC[C@@H](O)c3cc(F)ccc32)c1 ZINC000493730943 282701414 /nfs/dbraw/zinc/70/14/14/282701414.db2.gz YWZAZZOSXAIYCX-DANOYGIBSA-N 0 0 314.360 3.038 20 10 DGCDRN COc1cccc(CNC(=O)CCCc2cccs2)c1O ZINC000075650708 191505911 /nfs/dbraw/zinc/50/59/11/191505911.db2.gz FEXOUUSMNKPSJO-UHFFFAOYSA-N 0 0 305.399 3.101 20 10 DGCDRN CCN(Cc1nnc2n1CCCCC2)c1ccc(OC)cc1 ZINC000299598809 535395911 /nfs/dbraw/zinc/39/59/11/535395911.db2.gz LRCVWJZWGDUQBU-UHFFFAOYSA-N 0 0 300.406 3.040 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)COCC1CCCC1 ZINC000456022822 242331432 /nfs/dbraw/zinc/33/14/32/242331432.db2.gz JHQFPAIUICAMKQ-UHFFFAOYSA-N 0 0 314.429 3.310 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(N(C)C)cc1 ZINC000471227836 244209040 /nfs/dbraw/zinc/20/90/40/244209040.db2.gz SOSJHPDRJJKICZ-UHFFFAOYSA-N 0 0 321.424 3.483 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1cccc(O)c1 ZINC000471687963 244230751 /nfs/dbraw/zinc/23/07/51/244230751.db2.gz ZGBLNTNZJXZGGZ-UHFFFAOYSA-N 0 0 323.396 3.192 20 10 DGCDRN CSC[C@@H](C)NC(=O)NCc1c(C)c2ccccc2n1C ZINC000471891778 244262694 /nfs/dbraw/zinc/26/26/94/244262694.db2.gz BTDIIOFTPWMPIE-LLVKDONJSA-N 0 0 305.447 3.037 20 10 DGCDRN Cc1ccc([C@H]2COCCN2Cc2ccc(N(C)C)cc2)o1 ZINC000093459574 193254751 /nfs/dbraw/zinc/25/47/51/193254751.db2.gz BRDOWWHSHRPSEE-QGZVFWFLSA-N 0 0 300.402 3.228 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])c1ncnn1C ZINC000278387448 296149629 /nfs/dbraw/zinc/14/96/29/296149629.db2.gz DKYPTLCKWUYJIG-JGVFFNPUSA-N 0 0 315.204 3.239 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273479874 296156835 /nfs/dbraw/zinc/15/68/35/296156835.db2.gz LQAUNUZFIYJHFY-VXGBXAGGSA-N 0 0 306.362 3.053 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cc(Cl)nc(Cl)c2)cc1 ZINC000015832732 182019843 /nfs/dbraw/zinc/01/98/43/182019843.db2.gz RJHVLTDKPLGBQM-UHFFFAOYSA-N 0 0 324.211 3.384 20 10 DGCDRN Cc1ccc(N(C)C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])nc1 ZINC000493663501 246037144 /nfs/dbraw/zinc/03/71/44/246037144.db2.gz QGARKHCYXSYDDK-VMPITWQZSA-N 0 0 315.304 3.114 20 10 DGCDRN O=C(/C=C/c1cnccn1)N(CC(F)(F)F)c1ccccc1 ZINC000493681246 246040238 /nfs/dbraw/zinc/04/02/38/246040238.db2.gz JPQZMBKVNSULFS-VOTSOKGWSA-N 0 0 307.275 3.085 20 10 DGCDRN CO[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2cccnc2C)C1 ZINC000493796657 246070959 /nfs/dbraw/zinc/07/09/59/246070959.db2.gz WRRJFHWNMODEQR-OAGJVSPASA-N 0 0 308.381 3.008 20 10 DGCDRN Cc1ncccc1/C=C\C(=O)N(C[C@H]1CCCO1)c1ccncc1 ZINC000493822197 246077256 /nfs/dbraw/zinc/07/72/56/246077256.db2.gz MQCJAQTVRAZZGJ-HPFMTEOYSA-N 0 0 323.396 3.010 20 10 DGCDRN COc1cccc(CNC(=O)N[C@H]2CC[C@H](C)C[C@H]2C)c1O ZINC000074209167 184965251 /nfs/dbraw/zinc/96/52/51/184965251.db2.gz PQQAQMGJMLASFU-SCRDCRAPSA-N 0 0 306.406 3.025 20 10 DGCDRN CC(=O)Nc1cccc2c1CCCN2Cc1cc(F)ccc1O ZINC000272487965 130035430 /nfs/dbraw/zinc/03/54/30/130035430.db2.gz DIOOMPIKCWYYLV-UHFFFAOYSA-N 0 0 314.360 3.443 20 10 DGCDRN O=C1/C(=C/c2ccc([N+](=O)[O-])s2)SC(=S)N1C1CC1 ZINC000272779216 130063015 /nfs/dbraw/zinc/06/30/15/130063015.db2.gz XWTYCCVPJZVGPT-YVMONPNESA-N 0 0 312.397 3.020 20 10 DGCDRN COC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000273447789 130123625 /nfs/dbraw/zinc/12/36/25/130123625.db2.gz FLNOIHAAEABZBF-BLLLJJGKSA-N 0 0 316.357 3.339 20 10 DGCDRN COc1ccc(O)c([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000273516694 130130994 /nfs/dbraw/zinc/13/09/94/130130994.db2.gz SPANMGQDCXYVSB-LBPRGKRZSA-N 0 0 316.357 3.202 20 10 DGCDRN COc1cc(N(C)CCCC2CCOCC2)cc(OC)c1OC ZINC000274180961 130214193 /nfs/dbraw/zinc/21/41/93/130214193.db2.gz FPQGZNFAYXOCDI-UHFFFAOYSA-N 0 0 323.433 3.355 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCCC[C@@H](C)CO ZINC000283632497 131009057 /nfs/dbraw/zinc/00/90/57/131009057.db2.gz NFLBDSHVOFRQCH-OAHLLOKOSA-N 0 0 322.449 3.113 20 10 DGCDRN Cc1oc(C(C)C)nc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000285475499 131172136 /nfs/dbraw/zinc/17/21/36/131172136.db2.gz OBIPJGUZGHBAFX-UHFFFAOYSA-N 0 0 315.417 3.445 20 10 DGCDRN CC(C)c1ccoc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000285855406 131206267 /nfs/dbraw/zinc/20/62/67/131206267.db2.gz QLNVAMOHNJYDSH-NSHDSACASA-N 0 0 303.358 3.175 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H](O)c1cccc(OC)c1)c1ccc(F)cc1[O-] ZINC000285987334 131214120 /nfs/dbraw/zinc/21/41/20/131214120.db2.gz HYVXNGKZTYYXCL-SJLPKXTDSA-N 0 0 319.376 3.314 20 10 DGCDRN CC[C@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1ccc(F)cc1[O-] ZINC000286136379 131221262 /nfs/dbraw/zinc/22/12/62/131221262.db2.gz OSJHWHUFNLNCAK-HNNXBMFYSA-N 0 0 322.424 3.221 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000286686929 131246468 /nfs/dbraw/zinc/24/64/68/131246468.db2.gz GKMXXWGWTZMWLJ-RRFJBIMHSA-N 0 0 303.402 3.321 20 10 DGCDRN Cc1cc(C(=O)NCCSC(C)C)c(C)n1-c1ccccn1 ZINC000286706434 131247487 /nfs/dbraw/zinc/24/74/87/131247487.db2.gz LVTOGUAGRFDIRD-UHFFFAOYSA-N 0 0 317.458 3.361 20 10 DGCDRN CCOC1CC(O)(C[NH2+][C@@H](CC)c2cccc(Cl)c2[O-])C1 ZINC000286870083 131253669 /nfs/dbraw/zinc/25/36/69/131253669.db2.gz BRVNYYGIOWEZEJ-WMEQCIOUSA-N 0 0 313.825 3.016 20 10 DGCDRN CC[C@H]([NH2+]Cc1cnn(CCOC)c1)c1cccc(Cl)c1[O-] ZINC000286988565 131259218 /nfs/dbraw/zinc/25/92/18/131259218.db2.gz JLQKAFKQSPKKOF-HNNXBMFYSA-N 0 0 323.824 3.129 20 10 DGCDRN COc1cc([C@H](C)NCc2ccc(N(C)C)c(F)c2)c(F)cn1 ZINC000287561174 131287474 /nfs/dbraw/zinc/28/74/74/131287474.db2.gz GFCHGJJPQCUBEH-NSHDSACASA-N 0 0 321.371 3.285 20 10 DGCDRN CCNC(=O)C1(C[NH2+][C@H](CC)c2cccc(Cl)c2[O-])CCC1 ZINC000287708820 131295894 /nfs/dbraw/zinc/29/58/94/131295894.db2.gz NZXIKIAQGHYNSM-CQSZACIVSA-N 0 0 324.852 3.393 20 10 DGCDRN CCOCc1nc([C@H](C)N[C@H](C)c2ccc(C)c(C)c2O)no1 ZINC000289589504 131399242 /nfs/dbraw/zinc/39/92/42/131399242.db2.gz AVHMGVBWGAPIRO-OLZOCXBDSA-N 0 0 319.405 3.340 20 10 DGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]CC2CC(F)(F)C2)c1[O-] ZINC000291630762 131587378 /nfs/dbraw/zinc/58/73/78/131587378.db2.gz AMSSRLWJIHPUAK-UHFFFAOYSA-N 0 0 306.696 3.089 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@](C)(OC)C1CC1 ZINC000292335629 131642881 /nfs/dbraw/zinc/64/28/81/131642881.db2.gz OMDIXVSXGWCUIT-SFHVURJKSA-N 0 0 320.433 3.129 20 10 DGCDRN CCC[C@H](OC)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000294202889 131810461 /nfs/dbraw/zinc/81/04/61/131810461.db2.gz BZBDOIDYRNFUIY-KRWDZBQOSA-N 0 0 304.434 3.059 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@H](OC)C1CC1 ZINC000297471729 132017378 /nfs/dbraw/zinc/01/73/78/132017378.db2.gz LRHAUFFKTZFWHN-KRWDZBQOSA-N 0 0 320.433 3.129 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC(F)(F)F ZINC000298336878 132057368 /nfs/dbraw/zinc/05/73/68/132057368.db2.gz IKBGWKXYWOQTLJ-UHFFFAOYSA-N 0 0 302.340 3.442 20 10 DGCDRN CC(C)c1nc(CN(Cc2ccc(N(C)C)cc2)C2CC2)no1 ZINC000299095401 132089418 /nfs/dbraw/zinc/08/94/18/132089418.db2.gz KERXBQQMRFISAD-UHFFFAOYSA-N 0 0 314.433 3.424 20 10 DGCDRN CN(C)c1ccc(CN(Cc2noc(C3CC3)n2)C2CC2)cc1 ZINC000299123647 132089584 /nfs/dbraw/zinc/08/95/84/132089584.db2.gz VWIATUPVQRDXEU-UHFFFAOYSA-N 0 0 312.417 3.178 20 10 DGCDRN COc1cccc(CNc2cc(C)c(Br)cn2)c1O ZINC000091479327 400122684 /nfs/dbraw/zinc/12/26/84/400122684.db2.gz FLIHNKDBMAWCDQ-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN C[C@H](Nc1cccc(F)n1)c1ccc(N2CCOCC2)cc1 ZINC000068463404 400263370 /nfs/dbraw/zinc/26/33/70/400263370.db2.gz SREGZJMMWDPJAF-ZDUSSCGKSA-N 0 0 301.365 3.230 20 10 DGCDRN C[C@@H](Nc1cncc(Cl)n1)c1ccc(N2CCOCC2)cc1 ZINC000068463414 400263582 /nfs/dbraw/zinc/26/35/82/400263582.db2.gz LCRZZMVMYUSRKV-GFCCVEGCSA-N 0 0 318.808 3.140 20 10 DGCDRN COCc1ccccc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000041364995 400405078 /nfs/dbraw/zinc/40/50/78/400405078.db2.gz JOJQQHHXACIZBY-UHFFFAOYSA-N 0 0 324.424 3.363 20 10 DGCDRN COCc1nc(C)cc(NCc2c(O)ccc3c2CCCC3)n1 ZINC000075055102 400555411 /nfs/dbraw/zinc/55/54/11/400555411.db2.gz SWARNBGEFCMLPT-UHFFFAOYSA-N 0 0 313.401 3.128 20 10 DGCDRN C[C@H]1CN(c2ccc(CNc3ccccn3)cc2F)C[C@H](C)O1 ZINC000052457074 400732342 /nfs/dbraw/zinc/73/23/42/400732342.db2.gz HNYKDXBOFGFTHW-KBPBESRZSA-N 0 0 315.392 3.446 20 10 DGCDRN COc1ccc(NC(=O)[C@@H](C)Sc2nccs2)c(OC)c1 ZINC000052914344 400755017 /nfs/dbraw/zinc/75/50/17/400755017.db2.gz QWQCDYPSCQMJNF-SECBINFHSA-N 0 0 324.427 3.280 20 10 DGCDRN FC(F)Oc1ccc(N2CCC[C@@H](Nc3ncccn3)C2)cc1 ZINC000078512985 400807086 /nfs/dbraw/zinc/80/70/86/400807086.db2.gz FVMBANHVFKRFQA-GFCCVEGCSA-N 0 0 320.343 3.159 20 10 DGCDRN CCc1nnc(CN(C)Cc2ccc(N3CCCCC3)cc2)o1 ZINC000054116880 400810458 /nfs/dbraw/zinc/81/04/58/400810458.db2.gz XCXPKEYOAQHXEN-UHFFFAOYSA-N 0 0 314.433 3.254 20 10 DGCDRN CCN1C(=O)/C(=C\c2cccc3c2OCCCO3)SC1=S ZINC000053090799 400764845 /nfs/dbraw/zinc/76/48/45/400764845.db2.gz LVVRUTVFYRRHNE-FMIVXFBMSA-N 0 0 321.423 3.069 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1ccncc1 ZINC000078892808 400831344 /nfs/dbraw/zinc/83/13/44/400831344.db2.gz ARAUDJCEQUQLKV-UHFFFAOYSA-N 0 0 311.429 3.129 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)c3cccc(C)c3)CC2)cc1 ZINC000055877616 400898526 /nfs/dbraw/zinc/89/85/26/400898526.db2.gz YDAYYIQKYAIXII-UHFFFAOYSA-N 0 0 324.424 3.356 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H]1CCCN(C(C)=O)C1)c1cccc(Cl)c1[O-] ZINC000287102644 286912766 /nfs/dbraw/zinc/91/27/66/286912766.db2.gz QDNWWZOOCFJJKL-CZUORRHYSA-N 0 0 324.852 3.345 20 10 DGCDRN Cc1cc(C)cc(C2(C(=O)NCCc3ccc(N)cc3)CC2)c1 ZINC000269150849 432152598 /nfs/dbraw/zinc/15/25/98/432152598.db2.gz QDYORKNFDLWTCJ-UHFFFAOYSA-N 0 0 308.425 3.276 20 10 DGCDRN COCCC1(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000269513409 432181203 /nfs/dbraw/zinc/18/12/03/432181203.db2.gz PHSOSEZDQUONBX-UHFFFAOYSA-N 0 0 316.445 3.060 20 10 DGCDRN COc1cc(N(C)Cc2cnccc2C)cc(OC)c1OC ZINC000269572480 432186093 /nfs/dbraw/zinc/18/60/93/432186093.db2.gz BLENWKDIMYZTHQ-UHFFFAOYSA-N 0 0 302.374 3.052 20 10 DGCDRN Cc1onc(-c2ccncc2)c1C(=O)N(C)Cc1ccccc1O ZINC000135034577 227044956 /nfs/dbraw/zinc/04/49/56/227044956.db2.gz GGAQTIUYDOAOAT-UHFFFAOYSA-N 0 0 323.352 3.023 20 10 DGCDRN Nc1ccc(CCNC(=O)[C@@H]2CCCc3sccc32)cc1 ZINC000168235916 228266654 /nfs/dbraw/zinc/26/66/54/228266654.db2.gz VYPGSRXLKKOQJL-OAHLLOKOSA-N 0 0 300.427 3.109 20 10 DGCDRN COc1ccc(O)c(CNc2ccnc(Cc3ccccc3)n2)c1 ZINC000166656985 228266816 /nfs/dbraw/zinc/26/68/16/228266816.db2.gz XQLKYYOMDYBUBY-UHFFFAOYSA-N 0 0 321.380 3.394 20 10 DGCDRN Cc1noc(-c2cccnc2NCc2ccc(N(C)C)cc2)n1 ZINC000301343321 228895656 /nfs/dbraw/zinc/89/56/56/228895656.db2.gz GWSANPGMBNCPTG-UHFFFAOYSA-N 0 0 309.373 3.118 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CC3(C)C)ccc21 ZINC000343388782 229125170 /nfs/dbraw/zinc/12/51/70/229125170.db2.gz LWPFSKQFMTYBJC-QGZVFWFLSA-N 0 0 314.429 3.433 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cn2ccnc2s1 ZINC000348702783 229206880 /nfs/dbraw/zinc/20/68/80/229206880.db2.gz BLYYPQWRIQODRW-UHFFFAOYSA-N 0 0 324.409 3.126 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)Cc1ccccn1 ZINC000350091184 229220952 /nfs/dbraw/zinc/22/09/52/229220952.db2.gz KECBHVDELZFRLF-UHFFFAOYSA-N 0 0 322.412 3.223 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc2[nH]cnc2c1 ZINC000352937877 229265712 /nfs/dbraw/zinc/26/57/12/229265712.db2.gz AUQQIPZNGXAWDL-UHFFFAOYSA-N 0 0 318.380 3.293 20 10 DGCDRN Nc1ccc(CC(=O)N2CCC[C@H]2Cc2ccc(F)cc2)cc1 ZINC000372116074 229539439 /nfs/dbraw/zinc/53/94/39/229539439.db2.gz LLZAVCSBZNFGBC-SFHVURJKSA-N 0 0 312.388 3.184 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CS[C@H](C)C1 ZINC000413508519 230247327 /nfs/dbraw/zinc/24/73/27/230247327.db2.gz URFUQHKUBASSGL-YPMHNXCESA-N 0 0 317.458 3.180 20 10 DGCDRN CCOC(=O)c1cnc(NCc2c(C)c3ccccc3n2C)cn1 ZINC000530375962 424846106 /nfs/dbraw/zinc/84/61/06/424846106.db2.gz BZRPSQVDGLUOKF-UHFFFAOYSA-N 0 0 324.384 3.066 20 10 DGCDRN COc1ccc(N2CCCN(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000301896277 274113238 /nfs/dbraw/zinc/11/32/38/274113238.db2.gz UQFUMEPQAJZWAF-UHFFFAOYSA-N 0 0 322.412 3.288 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000191389786 432261014 /nfs/dbraw/zinc/26/10/14/432261014.db2.gz IRKKYLMLLRCUKV-LBPRGKRZSA-N 0 0 312.816 3.102 20 10 DGCDRN CC[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cccc(Cl)c1[O-] ZINC000287755856 288046646 /nfs/dbraw/zinc/04/66/46/288046646.db2.gz QOMACJDKSGVESW-CMPLNLGQSA-N 0 0 311.731 3.400 20 10 DGCDRN CC[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cccc(Cl)c1[O-] ZINC000376861888 288091722 /nfs/dbraw/zinc/09/17/22/288091722.db2.gz VKPWYYGIFNNLNK-FZMZJTMJSA-N 0 0 305.809 3.367 20 10 DGCDRN Cc1nc(C2(NCc3cc(C)c(C)cc3O)CCCC2)no1 ZINC000068424997 431129298 /nfs/dbraw/zinc/12/92/98/431129298.db2.gz QOEUYZGRRSUZON-UHFFFAOYSA-N 0 0 301.390 3.260 20 10 DGCDRN CCc1nnc(CN(c2ccc(OC)cc2)[C@H](C)C2CC2)n1C ZINC000111236684 431199899 /nfs/dbraw/zinc/19/98/99/431199899.db2.gz DMTUCHYSZFHHQW-CYBMUJFWSA-N 0 0 314.433 3.191 20 10 DGCDRN CC(C)NC(=O)CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000184981615 279565567 /nfs/dbraw/zinc/56/55/67/279565567.db2.gz MBCZLNARFAXVKI-SECBINFHSA-N 0 0 319.232 3.264 20 10 DGCDRN Cc1ncc(/C=C/C(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000112270564 431260938 /nfs/dbraw/zinc/26/09/38/431260938.db2.gz WRBIDIUTQMVBLJ-MDZDMXLPSA-N 0 0 315.442 3.189 20 10 DGCDRN C[C@H](C1CC1)N(C(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000077412747 431594679 /nfs/dbraw/zinc/59/46/79/431594679.db2.gz LMHWLSQNXODBAG-CYBMUJFWSA-N 0 0 301.434 3.225 20 10 DGCDRN CCOc1ccc(CC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000015134721 431604540 /nfs/dbraw/zinc/60/45/40/431604540.db2.gz LXMVMRATPBRVKD-UHFFFAOYSA-N 0 0 312.413 3.010 20 10 DGCDRN CC(C)CC1(C(=O)NCCc2ccc(O)c(O)c2)CCCC1 ZINC000122674410 431840751 /nfs/dbraw/zinc/84/07/51/431840751.db2.gz BXBSSMFCXJIOHJ-UHFFFAOYSA-N 0 0 305.418 3.363 20 10 DGCDRN CCC[C@@H](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000122692347 431841876 /nfs/dbraw/zinc/84/18/76/431841876.db2.gz YGRBBRKSEXQWFS-CQSZACIVSA-N 0 0 322.424 3.105 20 10 DGCDRN Nc1ccc(CC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000037042559 431843759 /nfs/dbraw/zinc/84/37/59/431843759.db2.gz PXKATQDXNVJWIF-AAEUAGOBSA-N 0 0 300.324 3.049 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)CCCO ZINC000123397670 431864321 /nfs/dbraw/zinc/86/43/21/431864321.db2.gz NBMNCYZJHZQHNZ-LLVKDONJSA-N 0 0 306.431 3.046 20 10 DGCDRN COc1cccc(CN2C[C@@H](C)OC[C@H]2c2ccccc2)c1O ZINC000093660726 431917277 /nfs/dbraw/zinc/91/72/77/431917277.db2.gz OTYIEMASGWWVBW-PBHICJAKSA-N 0 0 313.397 3.363 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cnn(CCC)c1 ZINC000183259760 432274394 /nfs/dbraw/zinc/27/43/94/432274394.db2.gz XECOGOWRWAETHD-UHFFFAOYSA-N 0 0 301.390 3.051 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](C)c1ccccc1 ZINC000183426667 432293783 /nfs/dbraw/zinc/29/37/83/432293783.db2.gz HOWWJFPBKPAZOJ-ZIAGYGMSSA-N 0 0 313.397 3.339 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C=C1CCC(C)CC1 ZINC000183450885 432295174 /nfs/dbraw/zinc/29/51/74/432295174.db2.gz QJALQKTYCDRXKU-ABLWVSNPSA-N 0 0 303.402 3.282 20 10 DGCDRN COC(C)(C)C[C@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000173756583 432298477 /nfs/dbraw/zinc/29/84/77/432298477.db2.gz FMIHEHWTJKOEIF-AWEZNQCLSA-N 0 0 321.465 3.098 20 10 DGCDRN CC[C@H]1C[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)CCO1 ZINC000183525932 432300934 /nfs/dbraw/zinc/30/09/34/432300934.db2.gz WMRRANQEUAMGKC-AEFFLSMTSA-N 0 0 316.445 3.108 20 10 DGCDRN Cc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)c(C)o1 ZINC000173203821 432263952 /nfs/dbraw/zinc/26/39/52/432263952.db2.gz RYZQARCXTUURQM-UHFFFAOYSA-N 0 0 300.358 3.002 20 10 DGCDRN COc1cc(C[N@H+](C)Cc2c(O)cccc2Cl)ccc1O ZINC000271031127 432318184 /nfs/dbraw/zinc/31/81/84/432318184.db2.gz GVCQKTBIOXPEBB-UHFFFAOYSA-N 0 0 307.777 3.392 20 10 DGCDRN CCSCC[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000174269804 432333634 /nfs/dbraw/zinc/33/36/34/432333634.db2.gz RTALZVANACACLI-CYBMUJFWSA-N 0 0 309.479 3.084 20 10 DGCDRN O=C(/C=C/c1ccc(O)cc1)NCc1ccc(N2CCCC2)cc1 ZINC000184023257 432347629 /nfs/dbraw/zinc/34/76/29/432347629.db2.gz OIDGWSNXSAXKEM-KPKJPENVSA-N 0 0 322.408 3.322 20 10 DGCDRN CC[C@@H]1C[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)CCO1 ZINC000184058518 432351045 /nfs/dbraw/zinc/35/10/45/432351045.db2.gz ITCCMSSJLIQIKD-HUUCEWRRSA-N 0 0 317.429 3.092 20 10 DGCDRN CSCCCCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000174521806 432354000 /nfs/dbraw/zinc/35/40/00/432354000.db2.gz OSNUJCHCBGMPMI-UHFFFAOYSA-N 0 0 307.459 3.421 20 10 DGCDRN C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1cccnc1 ZINC000153021680 432376616 /nfs/dbraw/zinc/37/66/16/432376616.db2.gz GNLGBCHIBSDMMF-OAHLLOKOSA-N 0 0 322.412 3.018 20 10 DGCDRN O=[N+]([O-])c1cnc(NCc2c(O)ccc3c2CCCC3)s1 ZINC000192467764 432378015 /nfs/dbraw/zinc/37/80/15/432378015.db2.gz PKALWGDMVCXKEO-UHFFFAOYSA-N 0 0 305.359 3.248 20 10 DGCDRN CC(C)C(=O)NCC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192604648 432392466 /nfs/dbraw/zinc/39/24/66/432392466.db2.gz ZNHFNJWDKNFMHC-SECBINFHSA-N 0 0 319.232 3.122 20 10 DGCDRN O=C(NCc1ccsc1)NCc1c(O)ccc2c1CCCC2 ZINC000175097805 432397954 /nfs/dbraw/zinc/39/79/54/432397954.db2.gz MTIOQCFRFJIJHK-UHFFFAOYSA-N 0 0 316.426 3.332 20 10 DGCDRN Cc1ccc([C@H](C)Nc2ccc(OCCC(N)=O)cc2)c(O)c1 ZINC000192716834 432404155 /nfs/dbraw/zinc/40/41/55/432404155.db2.gz LPXVDTLTVMZQEY-ZDUSSCGKSA-N 0 0 314.385 3.128 20 10 DGCDRN Cc1c(NC(=O)c2ccc(C)c(O)c2O)cnn1C1CCCC1 ZINC000192977858 432435274 /nfs/dbraw/zinc/43/52/74/432435274.db2.gz PGTJPWOQTSXCME-UHFFFAOYSA-N 0 0 315.373 3.279 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000175504016 432444175 /nfs/dbraw/zinc/44/41/75/432444175.db2.gz FESYZYIQNNLPQR-KBPBESRZSA-N 0 0 317.335 3.433 20 10 DGCDRN C[C@@]1(Cc2ccccc2)CCCN1C(=O)c1cccc(O)c1O ZINC000193166141 432455174 /nfs/dbraw/zinc/45/51/74/432455174.db2.gz XZFHHUCMEUASRR-IBGZPJMESA-N 0 0 311.381 3.335 20 10 DGCDRN COC[C@@H](NCc1cc(Cl)cc(OC)c1O)c1ccco1 ZINC000184709723 432424010 /nfs/dbraw/zinc/42/40/10/432424010.db2.gz YTROWUWEJJAUMR-GFCCVEGCSA-N 0 0 311.765 3.125 20 10 DGCDRN COCC[C@](C)(O)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192871859 432424534 /nfs/dbraw/zinc/42/45/34/432424534.db2.gz IPGWHEZEPPLAFU-OTYXRUKQSA-N 0 0 322.232 3.137 20 10 DGCDRN Cc1cc([C@@](C)(O)C[NH2+]Cc2cccc(Cl)c2[O-])c(C)o1 ZINC000271871311 432426912 /nfs/dbraw/zinc/42/69/12/432426912.db2.gz XTDPQQIUSRKMOY-INIZCTEOSA-N 0 0 309.793 3.253 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCC(C)(C)CCOC ZINC000185145323 432471865 /nfs/dbraw/zinc/47/18/65/432471865.db2.gz UYRABTUJUGHFQC-UHFFFAOYSA-N 0 0 322.449 3.377 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1[O-] ZINC000185442389 432501050 /nfs/dbraw/zinc/50/10/50/432501050.db2.gz YOQRUPFEDFUTGJ-DGCLKSJQSA-N 0 0 324.396 3.191 20 10 DGCDRN Cc1ccc([C@H](C)[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c(O)c1 ZINC000185464579 432502148 /nfs/dbraw/zinc/50/21/48/432502148.db2.gz JCKJCBHTNUODRR-GOEBONIOSA-N 0 0 324.424 3.436 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@H](O)c1ccc(F)cc1 ZINC000185468390 432503368 /nfs/dbraw/zinc/50/33/68/432503368.db2.gz KZDQPTDBDSDKBH-RVPKQNPDSA-N 0 0 307.340 3.443 20 10 DGCDRN Cc1c(/C=C/C(=O)N(CC(F)F)c2ccc(F)cc2)cnn1C ZINC000193870555 432506172 /nfs/dbraw/zinc/50/61/72/432506172.db2.gz YYQMJQYOWWUOSF-FPYGCLRLSA-N 0 0 323.318 3.179 20 10 DGCDRN CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc(OC)c1O ZINC000154672175 432513239 /nfs/dbraw/zinc/51/32/39/432513239.db2.gz XWUAGCKGFFQTGE-UHFFFAOYSA-N 0 0 301.386 3.432 20 10 DGCDRN C[C@H]([NH2+]C[C@]1(O)CCSC1)c1ccc2ccccc2c1O ZINC000185638786 432518474 /nfs/dbraw/zinc/51/84/74/432518474.db2.gz ZVLJLEAKPVHWOJ-YVEFUNNKSA-N 0 0 303.427 3.064 20 10 DGCDRN CC(C)CS(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000263715384 432568439 /nfs/dbraw/zinc/56/84/39/432568439.db2.gz QHCHKELACWLTBA-UHFFFAOYSA-N 0 0 324.490 3.095 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCC(C)(C)C1 ZINC000186397519 432590475 /nfs/dbraw/zinc/59/04/75/432590475.db2.gz JHWDZMLUXBQINM-OCCSQVGLSA-N 0 0 305.418 3.361 20 10 DGCDRN Cc1cc(C(=O)NCCCCO)c(C)n1-c1ccc(Cl)cc1 ZINC000194999961 432593127 /nfs/dbraw/zinc/59/31/27/432593127.db2.gz BIUVFDUWHZUSLC-UHFFFAOYSA-N 0 0 320.820 3.250 20 10 DGCDRN CCc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000186661651 432619749 /nfs/dbraw/zinc/61/97/49/432619749.db2.gz ALQWAKNLIRDTHK-LBPRGKRZSA-N 0 0 314.385 3.413 20 10 DGCDRN Cc1cc(Br)cc([C@H](C)[NH2+]C2CCOCC2)c1O ZINC000187031176 432643663 /nfs/dbraw/zinc/64/36/63/432643663.db2.gz QJUDMCUNIIQXIR-JTQLQIEISA-N 0 0 314.223 3.293 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000158960575 432665247 /nfs/dbraw/zinc/66/52/47/432665247.db2.gz RASSULMNMISRQV-OXQOHEQNSA-N 0 0 323.392 3.008 20 10 DGCDRN COc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])c1 ZINC000187714398 432678975 /nfs/dbraw/zinc/67/89/75/432678975.db2.gz HPKSQDURIGXTTG-ZUZCIYMTSA-N 0 0 323.339 3.063 20 10 DGCDRN COc1ccc(N2CCN(C(=O)C(C)(C)C(C)C)CC2)cc1F ZINC000276069154 432771540 /nfs/dbraw/zinc/77/15/40/432771540.db2.gz VXVQQYWTJVNOET-UHFFFAOYSA-N 0 0 322.424 3.165 20 10 DGCDRN COc1ccccc1[C@@H]1CCCN1C(=O)Cc1ccc(N)cc1 ZINC000237243117 432781776 /nfs/dbraw/zinc/78/17/76/432781776.db2.gz BAVQZNUCEKTMDC-KRWDZBQOSA-N 0 0 310.397 3.184 20 10 DGCDRN CCOc1cc2c(cc1NCc1cc(F)ccc1O)OCCO2 ZINC000189776645 432818980 /nfs/dbraw/zinc/81/89/80/432818980.db2.gz BGGVFXDKELQCFS-UHFFFAOYSA-N 0 0 319.332 3.313 20 10 DGCDRN COc1coc(CN(C)c2ccc(OC(C)C)cc2)cc1=O ZINC000277105570 432830373 /nfs/dbraw/zinc/83/03/73/432830373.db2.gz GUOUYXQESBGDRS-UHFFFAOYSA-N 0 0 303.358 3.072 20 10 DGCDRN C[C@@H](C(=O)[O-])[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000277245779 432831298 /nfs/dbraw/zinc/83/12/98/432831298.db2.gz JNYMAIGDQKYOEM-RDTXWAMCSA-N 0 0 312.413 3.304 20 10 DGCDRN Cc1ccccc1[C@H]1CN(C(=O)Cc2ccc(N)cc2)[C@H](C)CO1 ZINC000237532875 432790073 /nfs/dbraw/zinc/79/00/73/432790073.db2.gz VFANOJLCGLOJAE-DNVCBOLYSA-N 0 0 324.424 3.108 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)c2c[nH]nc2C2CC2)C2CC2)cc1 ZINC000276395385 432804154 /nfs/dbraw/zinc/80/41/54/432804154.db2.gz CJLFALTXOWOAQN-UHFFFAOYSA-N 0 0 324.428 3.158 20 10 DGCDRN Nc1ccc(CC(=O)N[C@H](c2ccccc2)c2ccccn2)cc1 ZINC000237914937 432804959 /nfs/dbraw/zinc/80/49/59/432804959.db2.gz BVUVTLQCHDKWFA-HXUWFJFHSA-N 0 0 317.392 3.112 20 10 DGCDRN COc1cccc(CN2C[C@H](C)OC[C@@H]2c2ccccc2)c1O ZINC000245756757 432861444 /nfs/dbraw/zinc/86/14/44/432861444.db2.gz OTYIEMASGWWVBW-WMLDXEAASA-N 0 0 313.397 3.363 20 10 DGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C=C(C)C ZINC000268458020 432872558 /nfs/dbraw/zinc/87/25/58/432872558.db2.gz CEEHGIYXIKFZIM-UHFFFAOYSA-N 0 0 312.207 3.469 20 10 DGCDRN COc1ccccc1C[C@@H](C)CC(=O)NCc1ccc(N)cc1 ZINC000296818419 432928376 /nfs/dbraw/zinc/92/83/76/432928376.db2.gz AJQKDZAINJWFDM-CQSZACIVSA-N 0 0 312.413 3.163 20 10 DGCDRN Oc1cccc2c1[C@H](Nc1ccn(CCc3ccncc3)n1)CC2 ZINC000296957174 432942886 /nfs/dbraw/zinc/94/28/86/432942886.db2.gz RAHYHOMRBMLTOR-MRXNPFEDSA-N 0 0 320.396 3.326 20 10 DGCDRN CCc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)cc1 ZINC000278556109 432896977 /nfs/dbraw/zinc/89/69/77/432896977.db2.gz ARZOFDUEEWWEDU-UHFFFAOYSA-N 0 0 302.330 3.484 20 10 DGCDRN C[C@H](NCc1ncc(C(F)(F)F)cn1)c1cc(F)ccc1O ZINC000296333546 432897031 /nfs/dbraw/zinc/89/70/31/432897031.db2.gz HLBMQUATZCFILV-QMMMGPOBSA-N 0 0 315.270 3.191 20 10 DGCDRN CC(C)CO[C@@H](C)c1noc(COc2ccc(N(C)C)cc2)n1 ZINC000278752220 432898989 /nfs/dbraw/zinc/89/89/89/432898989.db2.gz SBEHYUNMMAIFIP-ZDUSSCGKSA-N 0 0 319.405 3.448 20 10 DGCDRN Cc1ccc(O)c(CNc2ccc3c(c2)N(C(N)=O)CCC3)c1 ZINC000278691237 432899345 /nfs/dbraw/zinc/89/93/45/432899345.db2.gz IVGDURJCFZDTAE-UHFFFAOYSA-N 0 0 311.385 3.144 20 10 DGCDRN Cc1ccc(O)c([C@H](C)NCc2ncc(C(F)(F)F)cn2)c1 ZINC000296417543 432905677 /nfs/dbraw/zinc/90/56/77/432905677.db2.gz LFCLDMQUZABWDQ-JTQLQIEISA-N 0 0 311.307 3.360 20 10 DGCDRN Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cccc(O)c3O)C2)cc1 ZINC000278916128 432916519 /nfs/dbraw/zinc/91/65/19/432916519.db2.gz JYXHWADYQHVJAZ-HIFRSBDPSA-N 0 0 311.381 3.424 20 10 DGCDRN COc1ccc(C)cc1NCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278935246 432918890 /nfs/dbraw/zinc/91/88/90/432918890.db2.gz WXAORACTUSECBP-UHFFFAOYSA-N 0 0 318.329 3.238 20 10 DGCDRN CN(C)c1ccc(CN(Cc2ccco2)Cc2ccnn2C)cc1 ZINC000289711998 432973098 /nfs/dbraw/zinc/97/30/98/432973098.db2.gz GSPCCSZDGPAQFS-UHFFFAOYSA-N 0 0 324.428 3.282 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCC(F)(F)[C@H](C)C2)c1O ZINC000290012013 432982760 /nfs/dbraw/zinc/98/27/60/432982760.db2.gz ZVAKTKPNHDAKNL-SECBINFHSA-N 0 0 301.308 3.211 20 10 DGCDRN CO[C@@H]1CCC[C@H](CC(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000279669101 432989549 /nfs/dbraw/zinc/98/95/49/432989549.db2.gz HLOPVKRXWMBZEU-DZGCQCFKSA-N 0 0 322.424 3.103 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CCC(=O)[C@@H]1C ZINC000279639213 432989580 /nfs/dbraw/zinc/98/95/80/432989580.db2.gz JAZKCDQHRGWHDK-ZBFHGGJFSA-N 0 0 316.445 3.106 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)CCc1ccccc1N ZINC000279838571 432994597 /nfs/dbraw/zinc/99/45/97/432994597.db2.gz NXQRIIYRUBRZPA-UHFFFAOYSA-N 0 0 312.413 3.346 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C[C@@H]2CCC(=O)[C@@H]2C)cc1 ZINC000280037493 432999599 /nfs/dbraw/zinc/99/95/99/432999599.db2.gz WKPSXTBOQSDYBB-ZBFHGGJFSA-N 0 0 316.445 3.154 20 10 DGCDRN CCOCc1nc([C@H](C)N[C@@H](CC)c2ccc(C)cc2O)no1 ZINC000290183160 433009135 /nfs/dbraw/zinc/00/91/35/433009135.db2.gz NSGXJGGFGNQJBD-JSGCOSHPSA-N 0 0 319.405 3.422 20 10 DGCDRN CCOCc1nc([C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)no1 ZINC000290214345 433014015 /nfs/dbraw/zinc/01/40/15/433014015.db2.gz QEKMQCDAIICULP-OLZOCXBDSA-N 0 0 318.421 3.084 20 10 DGCDRN COc1cncc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000290222975 433014807 /nfs/dbraw/zinc/01/48/07/433014807.db2.gz IDPBWKMSMBUDKM-UHFFFAOYSA-N 0 0 311.429 3.321 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1COc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000290251035 433021088 /nfs/dbraw/zinc/02/10/88/433021088.db2.gz JWVQVIFKPIKEJD-RYUDHWBXSA-N 0 0 314.341 3.127 20 10 DGCDRN CC(C)n1nccc1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000280669053 433129252 /nfs/dbraw/zinc/12/92/52/433129252.db2.gz UBVNVVZLEGNGSO-UHFFFAOYSA-N 0 0 324.222 3.222 20 10 DGCDRN COc1cc(Cl)cc(CN2C[C@@H](C3CC3)O[C@@H](C)C2)c1O ZINC000373472898 433152166 /nfs/dbraw/zinc/15/21/66/433152166.db2.gz GOLKYWPVOXPCJH-BONVTDFDSA-N 0 0 311.809 3.054 20 10 DGCDRN CCOCCCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298503116 433160963 /nfs/dbraw/zinc/16/09/63/433160963.db2.gz IHPJURVXJGBPEX-UHFFFAOYSA-N 0 0 304.434 3.060 20 10 DGCDRN Cc1ccc(CN2CCCc3n[nH]cc32)c(-c2cnn(C)c2)c1 ZINC000291460819 433240151 /nfs/dbraw/zinc/24/01/51/433240151.db2.gz DDGBHNWUHWWFAC-UHFFFAOYSA-N 0 0 307.401 3.071 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CC12CCOCC2 ZINC000374622871 433241609 /nfs/dbraw/zinc/24/16/09/433241609.db2.gz UFHBLGLSZVYBPL-MRXNPFEDSA-N 0 0 317.429 3.338 20 10 DGCDRN CCc1nc(C)c(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000291822816 433365219 /nfs/dbraw/zinc/36/52/19/433365219.db2.gz DOFLGFLTIYNITR-SECBINFHSA-N 0 0 305.334 3.010 20 10 DGCDRN CCOc1cccc(C[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)c1O ZINC000375121017 433367641 /nfs/dbraw/zinc/36/76/41/433367641.db2.gz NBRBFIZCCMVNRR-ZWKOTPCHSA-N 0 0 305.418 3.086 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCC(C)(C)COCC ZINC000291979270 433418001 /nfs/dbraw/zinc/41/80/01/433418001.db2.gz YZLWNLXUPVWWLF-UHFFFAOYSA-N 0 0 322.449 3.377 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273479872 290054579 /nfs/dbraw/zinc/05/45/79/290054579.db2.gz LQAUNUZFIYJHFY-RYUDHWBXSA-N 0 0 306.362 3.053 20 10 DGCDRN CN(C)c1ccc(CNc2ncc([N+](=O)[O-])cc2Cl)cc1 ZINC000301256743 433470774 /nfs/dbraw/zinc/47/07/74/433470774.db2.gz DNQHZLFEGPJIRS-UHFFFAOYSA-N 0 0 306.753 3.321 20 10 DGCDRN CCOC(=O)c1ccc(NCc2ccc(N(C)C)cc2C)nc1 ZINC000301273983 433481957 /nfs/dbraw/zinc/48/19/57/433481957.db2.gz IJANFUORXKCEAA-UHFFFAOYSA-N 0 0 313.401 3.245 20 10 DGCDRN CCc1nc([C@@H]2CCCCN2Cc2cc(C)ccc2O)no1 ZINC000362095205 433526203 /nfs/dbraw/zinc/52/62/03/433526203.db2.gz BLWTYGMOEOCFHE-AWEZNQCLSA-N 0 0 301.390 3.373 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@](C)(OC)C1CC1 ZINC000292335623 433555673 /nfs/dbraw/zinc/55/56/73/433555673.db2.gz OMDIXVSXGWCUIT-GOSISDBHSA-N 0 0 320.433 3.129 20 10 DGCDRN COc1cc(N(C)CCC2(OC)CCC2)cc(OC)c1OC ZINC000292666014 433586953 /nfs/dbraw/zinc/58/69/53/433586953.db2.gz ASKHIKNMOROFQM-UHFFFAOYSA-N 0 0 309.406 3.108 20 10 DGCDRN O=[N+]([O-])c1cnc(Sc2nccs2)c(Br)c1 ZINC000301544865 433601922 /nfs/dbraw/zinc/60/19/22/433601922.db2.gz OZJCGMMPJIHVDI-UHFFFAOYSA-N 0 0 318.177 3.360 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(O)cc1O ZINC000282495215 433613277 /nfs/dbraw/zinc/61/32/77/433613277.db2.gz MXVUTQDUGDVJNX-UHFFFAOYSA-N 0 0 315.369 3.246 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)c1ccccc1 ZINC000282553658 433613384 /nfs/dbraw/zinc/61/33/84/433613384.db2.gz STETZAKMJJKEAU-UHFFFAOYSA-N 0 0 311.381 3.404 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Cc1ncccc1F ZINC000282532946 433613840 /nfs/dbraw/zinc/61/38/40/433613840.db2.gz QPNYZUXEIPVGGZ-UHFFFAOYSA-N 0 0 316.376 3.298 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC=C(c2ccccc2)C1 ZINC000375943479 433624912 /nfs/dbraw/zinc/62/49/12/433624912.db2.gz ZXQYPFPEZMYILB-PKNBQFBNSA-N 0 0 321.376 3.427 20 10 DGCDRN Cc1n[nH]c(CC[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])n1 ZINC000278637086 293257804 /nfs/dbraw/zinc/25/78/04/293257804.db2.gz HHQFMZMPQDGKRV-SSDOTTSWSA-N 0 0 315.204 3.019 20 10 DGCDRN Cc1nsc(N(Cc2ccco2)Cc2ccccc2O)n1 ZINC000301994968 433808745 /nfs/dbraw/zinc/80/87/45/433808745.db2.gz HDUJYLDZJBZGOE-UHFFFAOYSA-N 0 0 301.371 3.352 20 10 DGCDRN Cc1onc(-c2cccnc2)c1C(=O)N(C)c1ncccc1C ZINC000377591941 433919541 /nfs/dbraw/zinc/91/95/41/433919541.db2.gz MARSOZUJTILLSN-UHFFFAOYSA-N 0 0 308.341 3.025 20 10 DGCDRN Cc1cc(C(=O)N2CCC[C@@H]2CF)c(C)n1-c1ccccn1 ZINC000294007663 433961575 /nfs/dbraw/zinc/96/15/75/433961575.db2.gz IKNMHNZWMDCWAO-CQSZACIVSA-N 0 0 301.365 3.063 20 10 DGCDRN CC(C)(CO)[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC000294039505 433972684 /nfs/dbraw/zinc/97/26/84/433972684.db2.gz WEZGXBYELONMEP-CQSZACIVSA-N 0 0 301.789 3.071 20 10 DGCDRN CO[C@@H]1Cc2ccccc2N(C(=O)/C=C\c2cnc(C)s2)C1 ZINC000492853049 293979037 /nfs/dbraw/zinc/97/90/37/293979037.db2.gz MXSSERYZFXRROQ-WBTMPAOCSA-N 0 0 314.410 3.069 20 10 DGCDRN Cn1ccc(/C=C/C(=O)N2C[C@@H]3CCCN3c3ccccc32)c1 ZINC000493471041 294001272 /nfs/dbraw/zinc/00/12/72/294001272.db2.gz XSHDKXVFIJRVNT-FDMDGMSGSA-N 0 0 307.397 3.054 20 10 DGCDRN Cc1cc(C)c([C@H](C)Nc2ccc(OCC(N)=O)cc2)c(O)c1 ZINC000294590786 434123896 /nfs/dbraw/zinc/12/38/96/434123896.db2.gz CUDQZMBIXFFCPG-ZDUSSCGKSA-N 0 0 314.385 3.046 20 10 DGCDRN Cn1ccc(/C=C\C(=O)N2CCC[C@H](O)c3cc(F)ccc32)c1 ZINC000493730945 294328033 /nfs/dbraw/zinc/32/80/33/294328033.db2.gz YWZAZZOSXAIYCX-IMXKFXGHSA-N 0 0 314.360 3.038 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000365268604 434295674 /nfs/dbraw/zinc/29/56/74/434295674.db2.gz ZDXUIGDYOPTUFI-GFCCVEGCSA-N 0 0 313.800 3.433 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000295714627 434432862 /nfs/dbraw/zinc/43/28/62/434432862.db2.gz KKJXBRUUJZBCBG-QVHKTLOISA-N 0 0 305.418 3.217 20 10 DGCDRN Cc1cccc(OC2CC[NH+](Cc3cccc(F)c3[O-])CC2)n1 ZINC000368368651 434572203 /nfs/dbraw/zinc/57/22/03/434572203.db2.gz BSIHWJVOQFWCFF-UHFFFAOYSA-N 0 0 316.376 3.278 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000369129126 434587110 /nfs/dbraw/zinc/58/71/10/434587110.db2.gz BCCVDYORJDJRKI-AWEZNQCLSA-N 0 0 315.344 3.084 20 10 DGCDRN CN(C)c1ccc(CN2CCOC[C@H]2c2ccco2)cc1F ZINC000369773070 434602144 /nfs/dbraw/zinc/60/21/44/434602144.db2.gz OWFSSUXCWHTDMP-INIZCTEOSA-N 0 0 304.365 3.058 20 10 DGCDRN CCN(CC)c1ccc(CN2CCC[C@H]2c2ncon2)cc1F ZINC000371385289 434685597 /nfs/dbraw/zinc/68/55/97/434685597.db2.gz WVTBZNBTNHFLHH-INIZCTEOSA-N 0 0 318.396 3.392 20 10 DGCDRN CCOc1ccc(O)c(CN2CCC[C@H]2c2cc(C)on2)c1 ZINC000371395024 434688721 /nfs/dbraw/zinc/68/87/21/434688721.db2.gz CGBCRKZUKGERCG-INIZCTEOSA-N 0 0 302.374 3.424 20 10 DGCDRN CN(C(=O)/C=C\c1cncc(F)c1)c1ccc2ccccc2n1 ZINC000491905246 434879216 /nfs/dbraw/zinc/87/92/16/434879216.db2.gz NUHOFLZDEAKVPH-TWGQIWQCSA-N 0 0 307.328 3.445 20 10 DGCDRN Cc1c(/C=C\C(=O)N(CC(F)F)c2ccccc2)cnn1C ZINC000492282942 434951878 /nfs/dbraw/zinc/95/18/78/434951878.db2.gz KFXNIOHLAGGFKP-HJWRWDBZSA-N 0 0 305.328 3.040 20 10 DGCDRN COc1cncc(/C=C\C(=O)N(C)c2ccc(F)c(F)c2)c1 ZINC000492474957 434991814 /nfs/dbraw/zinc/99/18/14/434991814.db2.gz QAMVRQLQTVWUAA-UTCJRWHESA-N 0 0 304.296 3.045 20 10 DGCDRN COc1cncc(/C=C\C(=O)N(C)c2cc(F)ccc2F)c1 ZINC000492523350 435002511 /nfs/dbraw/zinc/00/25/11/435002511.db2.gz SNFQAIOHVOWGMX-UTCJRWHESA-N 0 0 304.296 3.045 20 10 DGCDRN Cc1c(/C=C\C(=O)N(C)c2ccc(Cl)cc2F)cnn1C ZINC000493515691 435186651 /nfs/dbraw/zinc/18/66/51/435186651.db2.gz FQAAKCFDXITLLN-DAXSKMNVSA-N 0 0 307.756 3.197 20 10 DGCDRN Cc1ccc(/C=C/C(=O)N2C[C@H](C)C(=O)Nc3ccccc32)cn1 ZINC000493466471 435177376 /nfs/dbraw/zinc/17/73/76/435177376.db2.gz RVRNLGUTKHFXOQ-LXKVQUBZSA-N 0 0 321.380 3.025 20 10 DGCDRN O=C(/C=C/c1cnccn1)N1CC2(CCC2)c2c1cccc2F ZINC000491347904 435731915 /nfs/dbraw/zinc/73/19/15/435731915.db2.gz DXMCNCGENCQTLK-AATRIKPKSA-N 0 0 309.344 3.097 20 10 DGCDRN Cc1ncc(/C=C\C(=O)N(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000255872019 331811591 /nfs/dbraw/zinc/81/15/91/331811591.db2.gz QXXIZPXKEMQRRW-FPLPWBNLSA-N 0 0 303.343 3.036 20 10 DGCDRN O=C(/C=C/c1ccc(Cl)nc1)N1CCSc2ncccc21 ZINC000089916886 332079942 /nfs/dbraw/zinc/07/99/42/332079942.db2.gz PZUKJXKYYZSJFW-GQCTYLIASA-N 0 0 317.801 3.282 20 10 DGCDRN CCN(C(=O)/C=C/c1cnn(-c2ccccc2)c1)c1ccncc1 ZINC000114101847 335790224 /nfs/dbraw/zinc/79/02/24/335790224.db2.gz WMKQLRQBJPOWNN-CMDGGOBGSA-N 0 0 318.380 3.334 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)[C@H](C)C(C)(C)C)CC2)cc1 ZINC000363224198 336820464 /nfs/dbraw/zinc/82/04/64/336820464.db2.gz RZJNYJVOIZSLIV-HNNXBMFYSA-N 0 0 318.461 3.416 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)[C@@H](C)CC(C)C)CC2)cc1 ZINC000185257401 337203694 /nfs/dbraw/zinc/20/36/94/337203694.db2.gz DVXYICNVBLXFII-INIZCTEOSA-N 0 0 318.461 3.416 20 10 DGCDRN CCn1nncc1C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000527918860 337774789 /nfs/dbraw/zinc/77/47/89/337774789.db2.gz FERLAAWUBVTELD-MRVPVSSYSA-N 0 0 315.204 3.161 20 10 DGCDRN COc1ccc(CNC(=O)[C@@H](C)Cc2ccccc2C)c(O)c1 ZINC000529231299 340749226 /nfs/dbraw/zinc/74/92/26/340749226.db2.gz ZTONQNGGWFQWJB-AWEZNQCLSA-N 0 0 313.397 3.204 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1cc(C)ncc1C ZINC000548746826 341271860 /nfs/dbraw/zinc/27/18/60/341271860.db2.gz VRHOVTTWGVTVDE-UHFFFAOYSA-N 0 0 322.412 3.242 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1COc2ccccc21 ZINC000548756816 341272509 /nfs/dbraw/zinc/27/25/09/341272509.db2.gz DTGBRNLXFIADNW-INIZCTEOSA-N 0 0 320.392 3.279 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)C(F)(F)F ZINC000355638215 533971716 /nfs/dbraw/zinc/97/17/16/533971716.db2.gz MRILTXRQICYBEP-SNVBAGLBSA-N 0 0 313.323 3.237 20 10 DGCDRN CS[C@H](C)CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000349805543 534053335 /nfs/dbraw/zinc/05/33/35/534053335.db2.gz WIUYDWKMHSEXRZ-LLVKDONJSA-N 0 0 305.447 3.037 20 10 DGCDRN COc1ccc(O)cc1C(=O)NCc1c(C)c2ccccc2n1C ZINC000352126912 534212697 /nfs/dbraw/zinc/21/26/97/534212697.db2.gz YZZTUSGWJXMIBD-UHFFFAOYSA-N 0 0 324.380 3.131 20 10 DGCDRN CC(C)(C(=O)NCCc1ccc(N)cc1)c1ccc(F)cc1 ZINC000236709864 518523522 /nfs/dbraw/zinc/52/35/22/518523522.db2.gz UGBYYPZHNWJPFJ-UHFFFAOYSA-N 0 0 300.377 3.044 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCS1 ZINC000266620967 519655340 /nfs/dbraw/zinc/65/53/40/519655340.db2.gz ZIWSAIPUJDGBKQ-INIZCTEOSA-N 0 0 306.475 3.385 20 10 DGCDRN CCOC(=O)/C(=C\c1cnc(C(C)(C)C)s1)c1nccn1C ZINC000265501851 520394115 /nfs/dbraw/zinc/39/41/15/520394115.db2.gz KSLYIYULNGECIO-XFXZXTDPSA-N 0 0 319.430 3.278 20 10 DGCDRN CCOc1cc2c(cc1NCc1cc(C)ccc1O)OCCO2 ZINC000189261334 520796713 /nfs/dbraw/zinc/79/67/13/520796713.db2.gz CYWPIPUKERFCPZ-UHFFFAOYSA-N 0 0 315.369 3.483 20 10 DGCDRN CCN(CC)c1ccc(C=C2SC(=S)NC2=O)cc1F ZINC000128393175 520882615 /nfs/dbraw/zinc/88/26/15/520882615.db2.gz DOYNDINDRCTJGQ-WQLSENKSSA-N 0 0 310.419 3.161 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N(C)[C@H]2CCSC2)cc1 ZINC000178906930 520899121 /nfs/dbraw/zinc/89/91/21/520899121.db2.gz WRFMYHBWJQOPRL-INIZCTEOSA-N 0 0 321.490 3.180 20 10 DGCDRN CCCCSCCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183461137 520953263 /nfs/dbraw/zinc/95/32/63/520953263.db2.gz CQHPSGNPLFBDFW-GFCCVEGCSA-N 0 0 311.447 3.068 20 10 DGCDRN CCCCc1noc(CN(C)c2ccc(OC)cc2OC)n1 ZINC000132249820 521328206 /nfs/dbraw/zinc/32/82/06/521328206.db2.gz XJPJJMNDUZVDIP-UHFFFAOYSA-N 0 0 305.378 3.066 20 10 DGCDRN CCOCCC1(C(=O)N(C)Cc2ccc(N(C)C)cc2)CCC1 ZINC000160751755 521678867 /nfs/dbraw/zinc/67/88/67/521678867.db2.gz MOPSVFYPJPIGEJ-UHFFFAOYSA-N 0 0 318.461 3.308 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCCCCOCC ZINC000264534657 521688044 /nfs/dbraw/zinc/68/80/44/521688044.db2.gz ZJOPBLIBXIWSST-UHFFFAOYSA-N 0 0 308.422 3.131 20 10 DGCDRN CCS[C@H]1CCCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180773907 521730053 /nfs/dbraw/zinc/73/00/53/521730053.db2.gz CGRREVOVBLBQOI-KGXGESDWSA-N 0 0 321.442 3.245 20 10 DGCDRN CCc1ccccc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000153327197 521810208 /nfs/dbraw/zinc/81/02/08/521810208.db2.gz AUJKFCBUNRDNNB-UHFFFAOYSA-N 0 0 324.424 3.016 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2OCCc3ccccc32)cc1 ZINC000127729825 522169139 /nfs/dbraw/zinc/16/91/39/522169139.db2.gz KBHATLMFKOQPTI-LJQANCHMSA-N 0 0 324.424 3.025 20 10 DGCDRN CC[C@H](CSC)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000181446405 522275470 /nfs/dbraw/zinc/27/54/70/522275470.db2.gz ZFFPAXTZPMARCQ-CQSZACIVSA-N 0 0 309.479 3.036 20 10 DGCDRN CC[C@@H](CSC)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000181218215 522612203 /nfs/dbraw/zinc/61/22/03/522612203.db2.gz GJLAEWVEDGHLEH-AWEZNQCLSA-N 0 0 317.458 3.361 20 10 DGCDRN CC[C@H](Oc1ccccc1C)C(=O)NCCc1ccc(N)cc1 ZINC000237010980 522895734 /nfs/dbraw/zinc/89/57/34/522895734.db2.gz DFNSCGQSZJNASP-KRWDZBQOSA-N 0 0 312.413 3.094 20 10 DGCDRN CC[C@H]1CC[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)O1 ZINC000268328169 523176745 /nfs/dbraw/zinc/17/67/45/523176745.db2.gz MNEJWQSOZTVIGS-ROUUACIJSA-N 0 0 316.445 3.201 20 10 DGCDRN CC[C@@H]1CCc2nc(NC(=O)Cc3ccc(N)cc3)sc2C1 ZINC000236971161 523374236 /nfs/dbraw/zinc/37/42/36/523374236.db2.gz DONPVTKPYPVCBX-LLVKDONJSA-N 0 0 315.442 3.421 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000157164853 523380548 /nfs/dbraw/zinc/38/05/48/523380548.db2.gz ZCFLMBVRCSXOSF-HNNXBMFYSA-N 0 0 318.417 3.025 20 10 DGCDRN COC(=O)[C@H](NCc1cccc(C)c1O)c1ccc(F)c(C)c1 ZINC000189595467 523928764 /nfs/dbraw/zinc/92/87/64/523928764.db2.gz RFTVTUAEWWWHIP-MRXNPFEDSA-N 0 0 317.360 3.152 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)CCCO)c(C)n1-c1ccc(F)cc1 ZINC000155894940 524118871 /nfs/dbraw/zinc/11/88/71/524118871.db2.gz LVMLRNWGLPYDHQ-LBPRGKRZSA-N 0 0 318.392 3.124 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C/c2cnc(C)s2)c(OC)c1 ZINC000127484538 524338087 /nfs/dbraw/zinc/33/80/87/524338087.db2.gz YFEXAOBVSDUJFX-SOFGYWHQSA-N 0 0 318.398 3.145 20 10 DGCDRN COc1ccc(N(C)CC(=O)N[C@@H](C)c2cccs2)cc1F ZINC000121723197 524350835 /nfs/dbraw/zinc/35/08/35/524350835.db2.gz LAPIPVYBVCYTIZ-NSHDSACASA-N 0 0 322.405 3.209 20 10 DGCDRN COc1ccc(N(C)Cc2nnc3n2CCCCC3)cc1Cl ZINC000268227697 524355050 /nfs/dbraw/zinc/35/50/50/524355050.db2.gz YAQCOEOFIQZGEB-UHFFFAOYSA-N 0 0 320.824 3.303 20 10 DGCDRN Cc1cccc(C[C@@H](CO)[NH2+]Cc2cccc(Cl)c2[O-])c1 ZINC000191683802 524466399 /nfs/dbraw/zinc/46/63/99/524466399.db2.gz OLYXUPPLRAWTGK-HNNXBMFYSA-N 0 0 305.805 3.047 20 10 DGCDRN C[C@]1(c2ccccc2)CCCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000158612683 525324184 /nfs/dbraw/zinc/32/41/84/525324184.db2.gz WSRXCWLPLLVIDR-FQEVSTJZSA-N 0 0 308.425 3.392 20 10 DGCDRN Cc1c(/C=C/C(=O)N(C)c2ccc(OC(C)C)cc2)cnn1C ZINC000191638471 525514938 /nfs/dbraw/zinc/51/49/38/525514938.db2.gz WCWKVYUQGCHQTN-IZZDOVSWSA-N 0 0 313.401 3.192 20 10 DGCDRN C[C@H](Nc1ccc(OC2COC2)cc1)c1cc(F)ccc1O ZINC000188645916 525657840 /nfs/dbraw/zinc/65/78/40/525657840.db2.gz VIRIUQPURNYBMB-NSHDSACASA-N 0 0 303.333 3.482 20 10 DGCDRN CS[C@@H](C)CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000270127087 525784543 /nfs/dbraw/zinc/78/45/43/525784543.db2.gz LOQBGDLQUILBFD-ZDUSSCGKSA-N 0 0 306.475 3.385 20 10 DGCDRN COc1cccc(CNC(=O)N[C@H]2CCCCC2(C)C)c1O ZINC000157163523 525990898 /nfs/dbraw/zinc/99/08/98/525990898.db2.gz IPBZPAFXORDHOE-AWEZNQCLSA-N 0 0 306.406 3.169 20 10 DGCDRN COc1cccc(CNC(=O)[C@@H](c2ccccc2)C(C)C)c1O ZINC000175930509 525994704 /nfs/dbraw/zinc/99/47/04/525994704.db2.gz BJRVCQJPKGJNIT-QGZVFWFLSA-N 0 0 313.397 3.457 20 10 DGCDRN C[C@H](c1ccco1)N(C(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 ZINC000180697069 526137302 /nfs/dbraw/zinc/13/73/02/526137302.db2.gz LEINHWGRHSUBDQ-BIPYJSMBSA-N 0 0 313.353 3.456 20 10 DGCDRN Cc1cc(C(=O)N2CCSC[C@@H]2C)c(C)n1-c1ccccn1 ZINC000172455757 526257270 /nfs/dbraw/zinc/25/72/70/526257270.db2.gz IYFPKSCKWFPRRZ-ZDUSSCGKSA-N 0 0 315.442 3.067 20 10 DGCDRN O=C(C=C1CCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000132223573 526315589 /nfs/dbraw/zinc/31/55/89/526315589.db2.gz VGVAKFTXFMNNJI-INIZCTEOSA-N 0 0 301.386 3.010 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC(C1CC1)C1CC1 ZINC000172698428 526679453 /nfs/dbraw/zinc/67/94/53/526679453.db2.gz URRBQYUEQSEFCO-UHFFFAOYSA-N 0 0 311.429 3.051 20 10 DGCDRN Nc1ccc(CC(=O)N2CCC(c3ccc(F)cc3)CC2)cc1 ZINC000157401423 527474085 /nfs/dbraw/zinc/47/40/85/527474085.db2.gz FGQMGOULZPCFIB-UHFFFAOYSA-N 0 0 312.388 3.357 20 10 DGCDRN Nc1ccc(CCNC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000237942153 527481307 /nfs/dbraw/zinc/48/13/07/527481307.db2.gz CSVZTGLUKFOHLP-HUUCEWRRSA-N 0 0 316.351 3.009 20 10 DGCDRN CCNC(=O)c1ccc(NCc2c(C)c3ccccc3n2C)nc1 ZINC000359840871 528258785 /nfs/dbraw/zinc/25/87/85/528258785.db2.gz UEUHFCIYYKVAJY-UHFFFAOYSA-N 0 0 322.412 3.244 20 10 DGCDRN CC(C)(C)OC(=O)c1cccc(C=C2SC(=S)NC2=O)c1 ZINC000272287077 534956390 /nfs/dbraw/zinc/95/63/90/534956390.db2.gz VJHUCOLPAOPEBN-FLIBITNWSA-N 0 0 321.423 3.131 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)C1CCC(O)CC1 ZINC000282505814 535260133 /nfs/dbraw/zinc/26/01/33/535260133.db2.gz NYHOKOMWEXRXBE-UHFFFAOYSA-N 0 0 305.418 3.072 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)CC[C@H]1CCOC1 ZINC000282362283 535260754 /nfs/dbraw/zinc/26/07/54/535260754.db2.gz BMFFFIZVEFHGLD-HNNXBMFYSA-N 0 0 305.418 3.338 20 10 DGCDRN CCOCC(C)(C)NC(=O)NCc1c(C)c2ccccc2n1C ZINC000458747972 535435007 /nfs/dbraw/zinc/43/50/07/535435007.db2.gz RJTUDVDCICRERP-UHFFFAOYSA-N 0 0 317.433 3.101 20 10 DGCDRN CC[C@@H](C)NC(=O)CC[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000287687592 535573982 /nfs/dbraw/zinc/57/39/82/535573982.db2.gz MYPZPNFQZKPCAP-RISCZKNCSA-N 0 0 312.841 3.391 20 10 DGCDRN CCOC1(C(=O)NCc2ccc(N3CCCC3)cc2)CCCC1 ZINC000285313663 535742556 /nfs/dbraw/zinc/74/25/56/535742556.db2.gz WVXRATUBDLMGIK-UHFFFAOYSA-N 0 0 316.445 3.252 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccc(F)cc1[O-] ZINC000285499294 535932307 /nfs/dbraw/zinc/93/23/07/535932307.db2.gz AFTOIBHERDIBTR-JJRVBVJISA-N 0 0 322.424 3.265 20 10 DGCDRN CC[C@H](CC(=O)NCc1ccc(N)cc1)c1ccc(OC)cc1 ZINC000297131695 536067123 /nfs/dbraw/zinc/06/71/23/536067123.db2.gz HJAIIEGIJCLXAJ-OAHLLOKOSA-N 0 0 312.413 3.478 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC[C@H]2CCO[C@H](C)C2)c1 ZINC000273497787 536793696 /nfs/dbraw/zinc/79/36/96/536793696.db2.gz YDPKNCDVIDSWEI-RDBSUJKOSA-N 0 0 321.417 3.035 20 10 DGCDRN CN(C)c1ccc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000186444342 546195090 /nfs/dbraw/zinc/19/50/90/546195090.db2.gz QLKHUOLCHHCVPA-HXUWFJFHSA-N 0 0 308.425 3.384 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCOCC1CC1 ZINC000731011463 574541577 /nfs/dbraw/zinc/54/15/77/574541577.db2.gz MOVVPYORNZGMLL-UHFFFAOYSA-N 0 0 318.442 3.312 20 10 DGCDRN C[C@H]1CC[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000731115719 574543707 /nfs/dbraw/zinc/54/37/07/574543707.db2.gz HHZLRRKMZUGFFI-CZIWCDLHSA-N 0 0 315.461 3.447 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000731149670 574543940 /nfs/dbraw/zinc/54/39/40/574543940.db2.gz DHWWYODVIPUNQP-UHFFFAOYSA-N 0 0 306.406 3.189 20 10 DGCDRN CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cccc(O)c1O ZINC000731497098 574550884 /nfs/dbraw/zinc/55/08/84/574550884.db2.gz WSFWTSHSEBGCNI-OAHLLOKOSA-N 0 0 318.760 3.338 20 10 DGCDRN Cc1ccc(OCCCCNC(=O)C2=CC(=O)CS2)cc1 ZINC000731871580 574560535 /nfs/dbraw/zinc/56/05/35/574560535.db2.gz JDUSMCRVLQHCNO-UHFFFAOYSA-N 0 0 305.399 3.351 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCC(COc2ccccc2)CC1 ZINC000731870349 574560577 /nfs/dbraw/zinc/56/05/77/574560577.db2.gz NWFKMHYRYUPRPS-UHFFFAOYSA-N 0 0 317.410 3.385 20 10 DGCDRN CN(CC(=O)Nc1ccccc1Cl)Cc1ccccc1O ZINC000731843027 574560159 /nfs/dbraw/zinc/56/01/59/574560159.db2.gz NUKXMOOKMILOIU-UHFFFAOYSA-N 0 0 304.777 3.116 20 10 DGCDRN C[C@@H](OCCCNC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000731867850 574561300 /nfs/dbraw/zinc/56/13/00/574561300.db2.gz YGSGHTULAMXWHW-GFCCVEGCSA-N 0 0 305.399 3.351 20 10 DGCDRN O=C(N[C@H](c1ccccc1)c1cccnc1)C1=CC(=O)CS1 ZINC000732286338 574570871 /nfs/dbraw/zinc/57/08/71/574570871.db2.gz RAEYOPIMMDQMAC-MRXNPFEDSA-N 0 0 310.378 3.368 20 10 DGCDRN COc1cc(CNC(=O)C2=CC(=O)CS2)ccc1OC(C)C ZINC000732271075 574569636 /nfs/dbraw/zinc/56/96/36/574569636.db2.gz ACQWTIBPCKVCFO-UHFFFAOYSA-N 0 0 321.398 3.180 20 10 DGCDRN O=C(Nc1ccc(OC(F)F)c(F)c1)C1=CC(=O)CS1 ZINC000732274075 574570018 /nfs/dbraw/zinc/57/00/18/574570018.db2.gz INGPNAATDXXJKD-UHFFFAOYSA-N 0 0 303.261 3.447 20 10 DGCDRN O=C(Nc1ccc(OC2CCCC2)nc1)C1=CC(=O)CS1 ZINC000732282901 574570615 /nfs/dbraw/zinc/57/06/15/574570615.db2.gz OMJWQMNDZIVBBU-UHFFFAOYSA-N 0 0 304.371 3.422 20 10 DGCDRN Cc1cc(C)cc(NC(=O)[C@@H](C)OC(=O)C2=CC(=O)CS2)c1 ZINC000732354764 574572362 /nfs/dbraw/zinc/57/23/62/574572362.db2.gz YUDHXQXERMCQKM-LLVKDONJSA-N 0 0 319.382 3.255 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)/C=C/C2CCOCC2)cc1 ZINC000732634379 574577453 /nfs/dbraw/zinc/57/74/53/574577453.db2.gz ACBXACLFRYRTTP-JXMROGBWSA-N 0 0 316.445 3.132 20 10 DGCDRN C[C@@H]1CCC[C@@H](OCC(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000732936195 574588672 /nfs/dbraw/zinc/58/86/72/574588672.db2.gz SJZBVADWGKKVQU-UKRRQHHQSA-N 0 0 322.424 3.103 20 10 DGCDRN CCC[C@H](C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000733132437 574599436 /nfs/dbraw/zinc/59/94/36/574599436.db2.gz MUYMZYLTUMLOMY-AWEZNQCLSA-N 0 0 306.475 3.292 20 10 DGCDRN CN(C(=O)/C=C\c1cnn(C)c1)c1cc(Cl)cc(Cl)c1 ZINC000733227373 574609235 /nfs/dbraw/zinc/60/92/35/574609235.db2.gz IHFLZSSENRMBKY-ARJAWSKDSA-N 0 0 310.184 3.403 20 10 DGCDRN CN(C)C(=O)Sc1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000733362630 574617809 /nfs/dbraw/zinc/61/78/09/574617809.db2.gz UQMCLOJUCQECBY-UHFFFAOYSA-N 0 0 322.411 3.480 20 10 DGCDRN CC[C@H](OC1CCCC1)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000733362200 574617847 /nfs/dbraw/zinc/61/78/47/574617847.db2.gz IGKOKPWLHZZDKR-SJCJKPOMSA-N 0 0 321.417 3.316 20 10 DGCDRN CC[C@H](C)CS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000733312857 574615095 /nfs/dbraw/zinc/61/50/95/574615095.db2.gz IJTVTEMGXWMTQZ-AWEZNQCLSA-N 0 0 324.490 3.093 20 10 DGCDRN CO[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C(F)(F)F ZINC000733329604 574616637 /nfs/dbraw/zinc/61/66/37/574616637.db2.gz WEHSDGUGMGBBFK-VIFPVBQESA-N 0 0 318.122 3.366 20 10 DGCDRN Cc1cc(C)c2c(N)c(C(=O)OCc3cccnc3)sc2n1 ZINC000733417827 574620669 /nfs/dbraw/zinc/62/06/69/574620669.db2.gz DZEISMDHMSHQKY-UHFFFAOYSA-N 0 0 313.382 3.247 20 10 DGCDRN COc1ccc(O)c(CNC(=S)Nc2ccccc2F)c1 ZINC000733906751 574642680 /nfs/dbraw/zinc/64/26/80/574642680.db2.gz QNHGGWCUZVOLCY-UHFFFAOYSA-N 0 0 306.362 3.027 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)Cc2cn[nH]c2)cc1 ZINC000733980586 574646789 /nfs/dbraw/zinc/64/67/89/574646789.db2.gz GPXMMOGXJBQCFL-UHFFFAOYSA-N 0 0 308.385 3.089 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2cc3cccc(C)c3o2)c1 ZINC000734017572 574648041 /nfs/dbraw/zinc/64/80/41/574648041.db2.gz NXFWUMJVZLHOHU-UHFFFAOYSA-N 0 0 311.337 3.385 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NCC[C@H]2CCCC[C@@H]2C)c1 ZINC000734067054 574649824 /nfs/dbraw/zinc/64/98/24/574649824.db2.gz GGEJIVQOSKRNOJ-UONOGXRCSA-N 0 0 320.433 3.416 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2CCC[C@@H](C(C)C)C2)c1 ZINC000734070139 574649854 /nfs/dbraw/zinc/64/98/54/574649854.db2.gz CFBDDOPICCKMBJ-UKRRQHHQSA-N 0 0 320.433 3.415 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCn1cccn1 ZINC000734124330 574652220 /nfs/dbraw/zinc/65/22/20/574652220.db2.gz ZQOUGESZWJVXQZ-UHFFFAOYSA-N 0 0 322.412 3.029 20 10 DGCDRN CCc1ccc(O)c(C(=O)NCCCSc2nccs2)c1 ZINC000734358811 574659431 /nfs/dbraw/zinc/65/94/31/574659431.db2.gz PQXQENZBWYQTCF-UHFFFAOYSA-N 0 0 322.455 3.323 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cnc(C2CC2)s1 ZINC000734405073 574659586 /nfs/dbraw/zinc/65/95/86/574659586.db2.gz AJMUNKXAGPAEFP-UHFFFAOYSA-N 0 0 315.442 3.325 20 10 DGCDRN Cc1noc(C(C)C)c1C(=O)NCc1ccc(N(C)C)cc1C ZINC000734403154 574659741 /nfs/dbraw/zinc/65/97/41/574659741.db2.gz XFJURUSDJMJIAX-UHFFFAOYSA-N 0 0 315.417 3.411 20 10 DGCDRN O=C(CCSc1ccccc1F)NCc1ccccc1O ZINC000734863770 574680507 /nfs/dbraw/zinc/68/05/07/574680507.db2.gz WXARYZZBVYGQOZ-UHFFFAOYSA-N 0 0 305.374 3.330 20 10 DGCDRN Cc1cc(C)cc(NNC(=S)Nc2ccc3c(c2)OCO3)c1 ZINC000735234674 574693183 /nfs/dbraw/zinc/69/31/83/574693183.db2.gz JOOFKJPTLIASEW-UHFFFAOYSA-N 0 0 315.398 3.346 20 10 DGCDRN COc1cc(C)nc(NCc2ccc(N3CCCCC3)cc2)n1 ZINC000735486712 574703660 /nfs/dbraw/zinc/70/36/60/574703660.db2.gz IAVQKXFQCRMRFZ-UHFFFAOYSA-N 0 0 312.417 3.396 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)OCc2nonc2C)cc1 ZINC000735797204 574715512 /nfs/dbraw/zinc/71/55/12/574715512.db2.gz OMHDBSOJLIAAOP-UHFFFAOYSA-N 0 0 311.341 3.143 20 10 DGCDRN COc1cccc(CNC(=O)c2cc3occc3s2)c1O ZINC000736676853 574802407 /nfs/dbraw/zinc/80/24/07/574802407.db2.gz VTHMZSKFSNZNNQ-UHFFFAOYSA-N 0 0 303.339 3.139 20 10 DGCDRN Cc1cnn(-c2ccc(NC(=O)C3=CC(=O)CS3)cc2F)c1 ZINC000736687672 574803000 /nfs/dbraw/zinc/80/30/00/574803000.db2.gz CRZACWSYMGSHHV-UHFFFAOYSA-N 0 0 317.345 3.339 20 10 DGCDRN C[C@@H]1CSCC[N@@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000736825986 574807981 /nfs/dbraw/zinc/80/79/81/574807981.db2.gz PGRRQIXLFICHKW-LLVKDONJSA-N 0 0 317.410 3.181 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]C2CCC(C(=O)[O-])CC2)cc1F ZINC000737094339 574823481 /nfs/dbraw/zinc/82/34/81/574823481.db2.gz PHGFWHZGQBWOAY-UHFFFAOYSA-N 0 0 322.424 3.405 20 10 DGCDRN CC[N@@H+](Cc1ccc(C(=O)[O-])cc1)Cc1ccc(N(C)C)cc1 ZINC000737106819 574824184 /nfs/dbraw/zinc/82/41/84/574824184.db2.gz WYAGGTHTKIFSAK-UHFFFAOYSA-N 0 0 312.413 3.473 20 10 DGCDRN Cc1ccccc1C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000738772277 574881696 /nfs/dbraw/zinc/88/16/96/574881696.db2.gz YARXRCHKZYXYSH-UHFFFAOYSA-N 0 0 319.788 3.441 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)NC2CCC(C)CC2)cc1 ZINC000739924737 574916177 /nfs/dbraw/zinc/91/61/77/574916177.db2.gz WGJSAMSPPGHXHL-UHFFFAOYSA-N 0 0 304.434 3.216 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)N(C2CC2)C2CCCC2)cc1 ZINC000739927440 574916244 /nfs/dbraw/zinc/91/62/44/574916244.db2.gz XGNBWPISOXDXKF-UHFFFAOYSA-N 0 0 316.445 3.455 20 10 DGCDRN Cc1cc(O)ccc1NS(=O)(=O)c1ccc(F)cc1Cl ZINC000740700788 574939754 /nfs/dbraw/zinc/93/97/54/574939754.db2.gz IHXPRQKVUDQQTC-UHFFFAOYSA-N 0 0 315.753 3.294 20 10 DGCDRN COc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)c(C)c1 ZINC000741931633 574976645 /nfs/dbraw/zinc/97/66/45/574976645.db2.gz IMBWIRSLMPTLQP-UHFFFAOYSA-N 0 0 312.413 3.308 20 10 DGCDRN CN1C(=O)C2(CCCC2)N[C@H]1c1ccc(N2CCCCC2)cc1 ZINC000742439823 575000442 /nfs/dbraw/zinc/00/04/42/575000442.db2.gz NZSGERQZKFAZAK-QGZVFWFLSA-N 0 0 313.445 3.050 20 10 DGCDRN COc1ccc([N+](=O)[O-])c(NCc2ccc(N(C)C)c(F)c2)c1 ZINC000742398683 574996876 /nfs/dbraw/zinc/99/68/76/574996876.db2.gz YDFLFAQOVWHLSJ-UHFFFAOYSA-N 0 0 319.336 3.421 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C=C1CCCCC1 ZINC000742953121 575025556 /nfs/dbraw/zinc/02/55/56/575025556.db2.gz VPBBZWAQIMEWMZ-UHFFFAOYSA-N 0 0 300.402 3.369 20 10 DGCDRN CCCCOCCNC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000743356726 575045854 /nfs/dbraw/zinc/04/58/54/575045854.db2.gz QOFLSSBNNONDSO-UHFFFAOYSA-N 0 0 321.465 3.101 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@@H]3[C@H](C2)C3(C)C)cc1 ZINC000743551709 575056625 /nfs/dbraw/zinc/05/66/25/575056625.db2.gz HUYIJSYHNTYQBH-CALCHBBNSA-N 0 0 315.461 3.330 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NCC(C)(C)SC)cc1 ZINC000743553475 575056642 /nfs/dbraw/zinc/05/66/42/575056642.db2.gz MCPBKVPIZUXERF-UHFFFAOYSA-N 0 0 323.506 3.474 20 10 DGCDRN C[C@H]1CCC[C@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743590332 575057979 /nfs/dbraw/zinc/05/79/79/575057979.db2.gz FQJOVMULGYPRNW-BLLLJJGKSA-N 0 0 302.418 3.259 20 10 DGCDRN Cc1cccc(CC(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000743717019 575062148 /nfs/dbraw/zinc/06/21/48/575062148.db2.gz GVULZKBCKCCQSD-UHFFFAOYSA-N 0 0 309.409 3.438 20 10 DGCDRN CCC(O)(CC)CNC(=O)c1sccc1-n1c(C)ccc1C ZINC000743712313 575062185 /nfs/dbraw/zinc/06/21/85/575062185.db2.gz GEPLWYGIRFIJDS-UHFFFAOYSA-N 0 0 320.458 3.437 20 10 DGCDRN CC(C)(C)OC(=O)CCCCCNC(=O)C1=CC(=O)CS1 ZINC000743761054 575062844 /nfs/dbraw/zinc/06/28/44/575062844.db2.gz XRNOISNEYQXVMP-UHFFFAOYSA-N 0 0 313.419 3.086 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C)c(F)c2)c1 ZINC000728979907 575198918 /nfs/dbraw/zinc/19/89/18/575198918.db2.gz QFJRNQIKPPBHSA-LLVKDONJSA-N 0 0 303.333 3.339 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(F)cc(F)c2)c1 ZINC000728981152 575199090 /nfs/dbraw/zinc/19/90/90/575199090.db2.gz UILCNKPEUYMZJN-VIFPVBQESA-N 0 0 307.296 3.170 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)OCCC(C)C)c1 ZINC000728981830 575199271 /nfs/dbraw/zinc/19/92/71/575199271.db2.gz FLWWOTSJYGFYBE-OLZOCXBDSA-N 0 0 309.406 3.029 20 10 DGCDRN COc1ccc(N(Cc2ccn(C)c(=O)c2)CC(C)C)cc1 ZINC000746170255 575278913 /nfs/dbraw/zinc/27/89/13/575278913.db2.gz PMQTZAAJCMOVDD-UHFFFAOYSA-N 0 0 300.402 3.057 20 10 DGCDRN C[C@@H]1CN(Cc2cc3c(cc2O)CCC3)C[C@@H](C(F)(F)F)O1 ZINC000744445452 575343375 /nfs/dbraw/zinc/34/33/75/575343375.db2.gz VSNUVRIRHMXFDV-BMIGLBTASA-N 0 0 315.335 3.033 20 10 DGCDRN O=C(OCCCO)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC000744549930 575348711 /nfs/dbraw/zinc/34/87/11/575348711.db2.gz DUVKBMORJKRPBO-UHFFFAOYSA-N 0 0 300.314 3.347 20 10 DGCDRN CSCCCOC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000744693052 575352321 /nfs/dbraw/zinc/35/23/21/575352321.db2.gz VVARGMMBJKAECH-UHFFFAOYSA-N 0 0 304.415 3.399 20 10 DGCDRN Cc1cc(C(=O)COC(=O)C2=CC(=O)CS2)cc(C)c1F ZINC000745002523 575368257 /nfs/dbraw/zinc/36/82/57/575368257.db2.gz LGMKANUCFUSDSC-UHFFFAOYSA-N 0 0 308.330 3.249 20 10 DGCDRN CC[C@H]1C[C@H](C)CN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000745839296 575420417 /nfs/dbraw/zinc/42/04/17/575420417.db2.gz WLPZWRCDENILFE-RDJZCZTQSA-N 0 0 313.445 3.393 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)NCCC2CC2)C2CC2)cc1 ZINC000745899514 575422029 /nfs/dbraw/zinc/42/20/29/575422029.db2.gz SCULKLKZJQHMIB-UHFFFAOYSA-N 0 0 301.434 3.227 20 10 DGCDRN Cc1cc(CCNC(=O)C2=CCCCO2)c(C)n1-c1ccccc1 ZINC000746105727 575432560 /nfs/dbraw/zinc/43/25/60/575432560.db2.gz CQOIGBBOGAFECU-UHFFFAOYSA-N 0 0 324.424 3.447 20 10 DGCDRN CCOc1ccc(N(CC)Cc2occc2C(=O)OC)cc1 ZINC000746158586 575436938 /nfs/dbraw/zinc/43/69/38/575436938.db2.gz BIPARVXYFPONGN-UHFFFAOYSA-N 0 0 303.358 3.491 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCc2ccc(F)cc2F)cc1 ZINC000746198875 575439233 /nfs/dbraw/zinc/43/92/33/575439233.db2.gz WUUZOFQNJASRKO-UHFFFAOYSA-N 0 0 319.355 3.030 20 10 DGCDRN COC(=O)/C=C\c1ccc(N(C)CC2CCCC2)c([N+](=O)[O-])c1 ZINC000746387569 575449574 /nfs/dbraw/zinc/44/95/74/575449574.db2.gz LONMOKMMBRBSAU-NTMALXAHSA-N 0 0 318.373 3.407 20 10 DGCDRN CC(C)c1cnc(CN2CCOc3cc(N(C)C)ccc32)o1 ZINC000746492861 575455636 /nfs/dbraw/zinc/45/56/36/575455636.db2.gz NMYDMDKJWVSXOX-UHFFFAOYSA-N 0 0 301.390 3.263 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCCC2CCCC2)cc1F ZINC000746718919 575471886 /nfs/dbraw/zinc/47/18/86/575471886.db2.gz SAIHTHAVHBAJGT-UHFFFAOYSA-N 0 0 307.413 3.271 20 10 DGCDRN CC[C@H](C)[C@@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000746724441 575472382 /nfs/dbraw/zinc/47/23/82/575472382.db2.gz GCFKIYHHWUAOGV-UONOGXRCSA-N 0 0 303.450 3.303 20 10 DGCDRN CO[C@@H]1CCC[C@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000746756594 575473729 /nfs/dbraw/zinc/47/37/29/575473729.db2.gz UVWZBMSDXILOKQ-NWDGAFQWSA-N 0 0 314.223 3.202 20 10 DGCDRN COc1cccc(C(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000746813667 575476468 /nfs/dbraw/zinc/47/64/68/575476468.db2.gz YJDNLPDPOLFYDZ-UHFFFAOYSA-N 0 0 310.397 3.008 20 10 DGCDRN CC1(C)CN(C(=O)/C=C/c2cnccn2)c2cccc(Cl)c21 ZINC000746817964 575476543 /nfs/dbraw/zinc/47/65/43/575476543.db2.gz UFBYRGCSXDFRGU-VOTSOKGWSA-N 0 0 313.788 3.468 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)c(O)c1C ZINC000746889594 575482164 /nfs/dbraw/zinc/48/21/64/575482164.db2.gz AZQSSRNIXBQCOG-UHFFFAOYSA-N 0 0 316.376 3.144 20 10 DGCDRN O=C(NCc1ccccc1O)C1CC(OCc2ccccc2)C1 ZINC000746884809 575482235 /nfs/dbraw/zinc/48/22/35/575482235.db2.gz PZALMSAWMJGQST-UHFFFAOYSA-N 0 0 311.381 3.004 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cnn(C(C)C)c2)c1 ZINC000747557006 575525026 /nfs/dbraw/zinc/52/50/26/575525026.db2.gz RVZGKSKXDYURIJ-LLVKDONJSA-N 0 0 318.377 3.061 20 10 DGCDRN COCc1ccc(SCC(=O)c2ccc(O)c(O)c2)cc1 ZINC000747813854 575542888 /nfs/dbraw/zinc/54/28/88/575542888.db2.gz MBXXCLYMVODNNK-UHFFFAOYSA-N 0 0 304.367 3.219 20 10 DGCDRN COc1cccc(CNC(=S)Nc2cc(C)ccc2F)n1 ZINC000748044456 575558123 /nfs/dbraw/zinc/55/81/23/575558123.db2.gz BKHKJIGPVPRHRO-UHFFFAOYSA-N 0 0 305.378 3.024 20 10 DGCDRN O=C(NCc1ccccc1O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000748345384 575581195 /nfs/dbraw/zinc/58/11/95/575581195.db2.gz BEXUKTVUWBREDF-HUUCEWRRSA-N 0 0 301.773 3.466 20 10 DGCDRN O=C(NCc1ccccc1O)c1cc(-c2cccs2)on1 ZINC000748345222 575581545 /nfs/dbraw/zinc/58/15/45/575581545.db2.gz ABWBLYUFOHGWIP-UHFFFAOYSA-N 0 0 300.339 3.039 20 10 DGCDRN O=C(CSc1ccc(F)c(F)c1)NCc1ccccc1O ZINC000748352244 575582100 /nfs/dbraw/zinc/58/21/00/575582100.db2.gz ARHXVKQLQHMUJT-UHFFFAOYSA-N 0 0 309.337 3.079 20 10 DGCDRN Cc1nc(-c2c[nH]c(C(=O)NCc3ccccc3O)c2)cs1 ZINC000748350621 575582548 /nfs/dbraw/zinc/58/25/48/575582548.db2.gz YUGXQRPZNGMVDX-UHFFFAOYSA-N 0 0 313.382 3.082 20 10 DGCDRN CCOc1cc(NC(=O)NCc2ccccc2O)ccc1OC ZINC000748447165 575587589 /nfs/dbraw/zinc/58/75/89/575587589.db2.gz LJIOFMYVQFCPJK-UHFFFAOYSA-N 0 0 316.357 3.121 20 10 DGCDRN O=C(NCCc1ccc(Cl)cc1)NCc1ccccc1O ZINC000748463176 575588614 /nfs/dbraw/zinc/58/86/14/575588614.db2.gz LTFDTHHUXJKURZ-UHFFFAOYSA-N 0 0 304.777 3.088 20 10 DGCDRN COc1ccc2c(c1)CCN2Cc1ccn(-c2ccccc2)n1 ZINC000748803144 575607893 /nfs/dbraw/zinc/60/78/93/575607893.db2.gz QQWWXDQIXGGMJE-UHFFFAOYSA-N 0 0 305.381 3.444 20 10 DGCDRN CC(C)C[C@H]1CCCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000748819125 575609576 /nfs/dbraw/zinc/60/95/76/575609576.db2.gz CMYWRENXSDVKIF-QGZVFWFLSA-N 0 0 303.450 3.473 20 10 DGCDRN CCCCO[C@@H]1C[C@H](NC(=O)NCc2ccccc2O)C1(C)C ZINC000748958729 575617348 /nfs/dbraw/zinc/61/73/48/575617348.db2.gz GRRSOMQLEYHWJQ-JKSUJKDBSA-N 0 0 320.433 3.175 20 10 DGCDRN Cc1cc(NC(=O)NCc2ccc(N(C)C)cc2C)sn1 ZINC000749241527 575638280 /nfs/dbraw/zinc/63/82/80/575638280.db2.gz VECHTJPFEMUONA-UHFFFAOYSA-N 0 0 304.419 3.148 20 10 DGCDRN C[C@H](Cc1ccncc1)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000749296282 575643449 /nfs/dbraw/zinc/64/34/49/575643449.db2.gz PMZCSNBOYRINFZ-SNVBAGLBSA-N 0 0 321.764 3.070 20 10 DGCDRN C[C@@H](C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccncc1 ZINC000749294429 575643532 /nfs/dbraw/zinc/64/35/32/575643532.db2.gz GXEJFEZNBCSYQB-JTQLQIEISA-N 0 0 321.764 3.242 20 10 DGCDRN Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)c(F)c1 ZINC000749352238 575646877 /nfs/dbraw/zinc/64/68/77/575646877.db2.gz PMNOBXUZIAAORE-UHFFFAOYSA-N 0 0 314.360 3.223 20 10 DGCDRN COCCN(Cc1ccc(C)cn1)c1ccc(OC)c(OC)c1 ZINC000749350224 575646943 /nfs/dbraw/zinc/64/69/43/575646943.db2.gz AEDWVAZTRYEJJK-UHFFFAOYSA-N 0 0 316.401 3.060 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)c(F)c1 ZINC000749363769 575648395 /nfs/dbraw/zinc/64/83/95/575648395.db2.gz LIKLAUSLRRICCE-UHFFFAOYSA-N 0 0 312.388 3.447 20 10 DGCDRN CC[C@H](C)Oc1cc(C=C2SC(=S)NC2=O)ccc1OC ZINC000749452883 575656998 /nfs/dbraw/zinc/65/69/98/575656998.db2.gz QMZOPILILVUZPV-ITTMYVLYSA-N 0 0 323.439 3.361 20 10 DGCDRN CCO[C@@H]1C[C@@H](NC(=O)NCc2ccccc2O)C1(CC)CC ZINC000749559411 575664846 /nfs/dbraw/zinc/66/48/46/575664846.db2.gz RYISOFVFQDVPHG-HZPDHXFCSA-N 0 0 320.433 3.175 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NOCC(C)C)cc1F ZINC000749822410 575681078 /nfs/dbraw/zinc/68/10/78/575681078.db2.gz HCZWRTKELATBHO-UHFFFAOYSA-N 0 0 311.401 3.059 20 10 DGCDRN COc1cccc(C(C)(C)CNC(=O)C2=CC(=O)CS2)c1 ZINC000750539021 575737884 /nfs/dbraw/zinc/73/78/84/575737884.db2.gz QPGCYZSEANTMCE-UHFFFAOYSA-N 0 0 305.399 3.170 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000750861778 575756419 /nfs/dbraw/zinc/75/64/19/575756419.db2.gz HFMNGMCDHVRXGE-UHFFFAOYSA-N 0 0 314.341 3.353 20 10 DGCDRN COc1cccc(/C(C)=C/C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000751220497 575776245 /nfs/dbraw/zinc/77/62/45/575776245.db2.gz YSCQEIJUCKCRTQ-NTCAYCPXSA-N 0 0 324.424 3.481 20 10 DGCDRN Cc1ccc(/C=C/S(=O)(=O)N(C)Cc2ccccc2O)cc1 ZINC000751239475 575776668 /nfs/dbraw/zinc/77/66/68/575776668.db2.gz JUXSSTAUSLLMOM-VAWYXSNFSA-N 0 0 317.410 3.133 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1cscn1 ZINC000751299057 575778862 /nfs/dbraw/zinc/77/88/62/575778862.db2.gz HDDDAMOQMGLWSR-UHFFFAOYSA-N 0 0 321.365 3.105 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2ccccn2)c1O ZINC000751481581 575786673 /nfs/dbraw/zinc/78/66/73/575786673.db2.gz IGIVSEJIJQWGFU-KRWDZBQOSA-N 0 0 314.360 3.466 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2ccccn2)c1O ZINC000751481586 575786724 /nfs/dbraw/zinc/78/67/24/575786724.db2.gz IGIVSEJIJQWGFU-QGZVFWFLSA-N 0 0 314.360 3.466 20 10 DGCDRN COc1ccc(N(C)Cc2cnc(OC)c(Cl)c2)cc1OC ZINC000751964312 575815196 /nfs/dbraw/zinc/81/51/96/575815196.db2.gz BLPSNYYNEQXXSP-UHFFFAOYSA-N 0 0 322.792 3.397 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C)[C@@H]2C)cc1 ZINC000752004356 575817509 /nfs/dbraw/zinc/81/75/09/575817509.db2.gz GGCJCDVSXGISNH-CABCVRRESA-N 0 0 303.450 3.473 20 10 DGCDRN O=C(Cc1ccco1)N(Cc1ccco1)Cc1ccccc1O ZINC000752089521 575822522 /nfs/dbraw/zinc/82/25/22/575822522.db2.gz YOLNWIMRNQYONZ-UHFFFAOYSA-N 0 0 311.337 3.350 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)OCCSC)ccc21 ZINC000744336113 575932438 /nfs/dbraw/zinc/93/24/38/575932438.db2.gz JYISRKSUCSWFRU-UHFFFAOYSA-N 0 0 321.442 3.424 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1c(C)noc1Cl ZINC000727170326 576110663 /nfs/dbraw/zinc/11/06/63/576110663.db2.gz LXTLFXGZUDXQHF-UHFFFAOYSA-N 0 0 322.792 3.323 20 10 DGCDRN CCS[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)C(C)C ZINC000727309765 576119313 /nfs/dbraw/zinc/11/93/13/576119313.db2.gz MRMUUSGZKJDYMG-QGZVFWFLSA-N 0 0 320.502 3.463 20 10 DGCDRN CC(C)(CNC(=O)NCc1ccccc1O)c1ccc(F)cc1 ZINC000728747964 576198875 /nfs/dbraw/zinc/19/88/75/576198875.db2.gz QKURPGRTBGRWKO-UHFFFAOYSA-N 0 0 316.376 3.308 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)OCC3CC3)ccc21 ZINC000728764449 576199238 /nfs/dbraw/zinc/19/92/38/576199238.db2.gz SYTZCPZRMZJQAF-UHFFFAOYSA-N 0 0 301.386 3.471 20 10 DGCDRN O=C([O-])[C@H]1CC12CC[NH+](Cc1c(O)ccc3ccccc31)CC2 ZINC000405369243 600279119 /nfs/dbraw/zinc/27/91/19/600279119.db2.gz NQQLDIAKYIPQHR-MRXNPFEDSA-N 0 0 311.381 3.232 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C)ccc1O ZINC000154200597 620646949 /nfs/dbraw/zinc/64/69/49/620646949.db2.gz DNNNMCJFFJNJMK-UHFFFAOYSA-N 0 0 312.413 3.429 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)NCC(C)(C)C)C2CC2)cc1 ZINC000917005354 620651943 /nfs/dbraw/zinc/65/19/43/620651943.db2.gz OWUJFVMCIYDQPP-UHFFFAOYSA-N 0 0 303.450 3.473 20 10 DGCDRN Cc1cc(CC(=O)OCc2cnn(C)c2)c(C)n1-c1ccccc1 ZINC000853098787 620668479 /nfs/dbraw/zinc/66/84/79/620668479.db2.gz MQXPSHSBUQHDAR-UHFFFAOYSA-N 0 0 323.396 3.114 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC(C)(C2CC2)C2CC2)cc1 ZINC000853245276 620681828 /nfs/dbraw/zinc/68/18/28/620681828.db2.gz WMZHENFRFHGTJA-UHFFFAOYSA-N 0 0 301.434 3.131 20 10 DGCDRN CC[C@@H]1CCCN(C(=O)NCCCSc2nccs2)C1 ZINC000154609254 620693329 /nfs/dbraw/zinc/69/33/29/620693329.db2.gz SDWWCKIJCZCXPR-GFCCVEGCSA-N 0 0 313.492 3.457 20 10 DGCDRN CC(C)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000918054809 620695135 /nfs/dbraw/zinc/69/51/35/620695135.db2.gz VNIORZHMBLUOLR-UHFFFAOYSA-N 0 0 303.450 3.473 20 10 DGCDRN c1nc(COc2ccc(N3CCCC3)cc2)n(-c2ccccc2)n1 ZINC000853675486 620723708 /nfs/dbraw/zinc/72/37/08/620723708.db2.gz TZWRVYOIOKFOLV-UHFFFAOYSA-N 0 0 320.396 3.447 20 10 DGCDRN COc1ccc(N2CC[C@@H](Nc3nc(C4CC4)ns3)C2)cc1 ZINC000853758696 620734422 /nfs/dbraw/zinc/73/44/22/620734422.db2.gz JIXOECAFNLVDES-GFCCVEGCSA-N 0 0 316.430 3.115 20 10 DGCDRN COc1ccc(N2CC[C@H](Nc3ccc(Cl)cn3)C2)cc1 ZINC000853759057 620734434 /nfs/dbraw/zinc/73/44/34/620734434.db2.gz OHKCGXCJNAMLME-ZDUSSCGKSA-N 0 0 303.793 3.434 20 10 DGCDRN COc1ccc(N2CC[C@@H](Nc3ncnc4c3CCCC4)C2)cc1 ZINC000853758832 620734455 /nfs/dbraw/zinc/73/44/55/620734455.db2.gz KZUWPNAJVWCFPG-CQSZACIVSA-N 0 0 324.428 3.055 20 10 DGCDRN CC[C@@H](C)N(CC)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000853775998 620736662 /nfs/dbraw/zinc/73/66/62/620736662.db2.gz JPWGROUJNUKMSL-OAHLLOKOSA-N 0 0 301.434 3.393 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)N1CC2(CC2)Oc2ccccc21 ZINC000890619629 617627275 /nfs/dbraw/zinc/62/72/75/617627275.db2.gz NNHOEYCNLBJCSM-VOTSOKGWSA-N 0 0 306.365 3.361 20 10 DGCDRN Cc1cc(C)c(C(=O)NCc2cccc(Cl)c2O)c(C)n1 ZINC000890762355 617657048 /nfs/dbraw/zinc/65/70/48/617657048.db2.gz AAAQLBSJTXLXSD-UHFFFAOYSA-N 0 0 304.777 3.296 20 10 DGCDRN CC1(C)CO[C@@H](CCC(=O)NCc2cccc(Cl)c2O)C1 ZINC000890762449 617657788 /nfs/dbraw/zinc/65/77/88/617657788.db2.gz CURWDBWCNDDQLE-LBPRGKRZSA-N 0 0 311.809 3.257 20 10 DGCDRN COC1(C(=O)NCc2cccc(Cl)c2O)CCCCCC1 ZINC000890762515 617657877 /nfs/dbraw/zinc/65/78/77/617657877.db2.gz FTEAIRCPGUTWIQ-UHFFFAOYSA-N 0 0 311.809 3.401 20 10 DGCDRN O=C(C=C1CCCC1)NCc1cc(Br)ccc1O ZINC000804737922 617662422 /nfs/dbraw/zinc/66/24/22/617662422.db2.gz VINNXUQCGKGIEZ-UHFFFAOYSA-N 0 0 310.191 3.271 20 10 DGCDRN CCC(C)(C)C(=O)NCc1cc(Br)ccc1O ZINC000804739879 617662547 /nfs/dbraw/zinc/66/25/47/617662547.db2.gz WXNMCOUITQYDKY-UHFFFAOYSA-N 0 0 300.196 3.207 20 10 DGCDRN O=C(NCc1cc(Br)ccc1O)[C@H]1CC12CCCC2 ZINC000804738782 617662648 /nfs/dbraw/zinc/66/26/48/617662648.db2.gz DLASIRMZFYXADI-GFCCVEGCSA-N 0 0 324.218 3.351 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H]1COCCO1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806132380 617668129 /nfs/dbraw/zinc/66/81/29/617668129.db2.gz VPHMFWBEJMKFCI-MFKMUULPSA-N 0 0 320.216 3.155 20 10 DGCDRN Oc1ccc(Br)cc1CNc1ncnc2c1CCC2 ZINC000804827161 617680316 /nfs/dbraw/zinc/68/03/16/617680316.db2.gz LXWZASINBFQODE-UHFFFAOYSA-N 0 0 320.190 3.046 20 10 DGCDRN O=C(NC1CC=CC1)N(Cc1ccco1)Cc1ccccc1O ZINC000154964622 620748352 /nfs/dbraw/zinc/74/83/52/620748352.db2.gz OXMOXVGBMNHLQG-UHFFFAOYSA-N 0 0 312.369 3.416 20 10 DGCDRN Cc1noc(C2CC2)c1NC(=O)N(C)Cc1ccccc1O ZINC000154991822 620753079 /nfs/dbraw/zinc/75/30/79/620753079.db2.gz IQSOXJWLUVPXME-UHFFFAOYSA-N 0 0 301.346 3.230 20 10 DGCDRN COc1cccc(C[N@H+](C)Cc2ccc(OC)c(OC)c2O)c1 ZINC000891470253 617810313 /nfs/dbraw/zinc/81/03/13/617810313.db2.gz LKJVFRIJEGFTEV-UHFFFAOYSA-N 0 0 317.385 3.050 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cc3c(cccc3F)[nH]2)cc1 ZINC000023877150 617815471 /nfs/dbraw/zinc/81/54/71/617815471.db2.gz BVOXIXJUVAGEDK-UHFFFAOYSA-N 0 0 311.360 3.303 20 10 DGCDRN COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccn2C)c(O)c1OC ZINC000891503771 617817987 /nfs/dbraw/zinc/81/79/87/617817987.db2.gz WEIBXMOFYWCQNY-OAHLLOKOSA-N 0 0 316.401 3.085 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@H](c2ccncc2)C2CC2)cc1 ZINC000891606836 617850934 /nfs/dbraw/zinc/85/09/34/617850934.db2.gz LXVHYMBAKQLGQO-SFHVURJKSA-N 0 0 324.428 3.098 20 10 DGCDRN CCCN(Cc1c(Cl)c(C)nn1C)Cc1ccccc1O ZINC000891853169 617912332 /nfs/dbraw/zinc/91/23/32/617912332.db2.gz CZFQFTSIOOASJX-UHFFFAOYSA-N 0 0 307.825 3.500 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC=C(Cl)C1 ZINC000892000660 617943176 /nfs/dbraw/zinc/94/31/76/617943176.db2.gz RVJHEQMYBRCFSR-UHFFFAOYSA-N 0 0 319.836 3.325 20 10 DGCDRN Nc1ccc(CCNC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC000892038338 617948972 /nfs/dbraw/zinc/94/89/72/617948972.db2.gz DCGOFWBYZVJNGZ-RTBURBONSA-N 0 0 323.440 3.447 20 10 DGCDRN COc1cccc(CNC(=O)c2ccc(Cl)cc2C)c1O ZINC000119643763 617959977 /nfs/dbraw/zinc/95/99/77/617959977.db2.gz AQXYUJUDROAVIJ-UHFFFAOYSA-N 0 0 305.761 3.293 20 10 DGCDRN Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000127728828 618001437 /nfs/dbraw/zinc/00/14/37/618001437.db2.gz RCBISMMNDBWFSI-RBUKOAKNSA-N 0 0 308.425 3.481 20 10 DGCDRN COC(=O)COc1ccccc1CNc1cc(C)ccc1OC ZINC000892313795 618017754 /nfs/dbraw/zinc/01/77/54/618017754.db2.gz DRMKGLPHXZWBKZ-UHFFFAOYSA-N 0 0 315.369 3.168 20 10 DGCDRN Cc1cc(CCNC(=O)N2CC[C@@H]2C)c(C)n1-c1ccccc1 ZINC000920041523 620777928 /nfs/dbraw/zinc/77/79/28/620777928.db2.gz BSQZFVZOMGNWET-AWEZNQCLSA-N 0 0 311.429 3.440 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCc3cc(F)ccc32)cc1 ZINC000854271633 620790677 /nfs/dbraw/zinc/79/06/77/620790677.db2.gz NXTJAJICHANZRJ-SFHVURJKSA-N 0 0 312.388 3.238 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCc3cc(F)ccc32)cc1 ZINC000854271632 620790980 /nfs/dbraw/zinc/79/09/80/620790980.db2.gz NXTJAJICHANZRJ-GOSISDBHSA-N 0 0 312.388 3.238 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CC[C@H]2CC2(Cl)Cl)cc1 ZINC000854271398 620790991 /nfs/dbraw/zinc/79/09/91/620790991.db2.gz FOZAXDUGVRMUAY-LBPRGKRZSA-N 0 0 315.244 3.343 20 10 DGCDRN Cc1cc(F)cc(C)c1C(=O)NCc1ccc(N(C)C)cc1 ZINC000854271472 620791003 /nfs/dbraw/zinc/79/10/03/620791003.db2.gz IFCJOZSBJQKBAG-UHFFFAOYSA-N 0 0 300.377 3.439 20 10 DGCDRN CCC[C@H](C)N(C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854300875 620792653 /nfs/dbraw/zinc/79/26/53/620792653.db2.gz CHRNECNNIQWNNR-GJZGRUSLSA-N 0 0 319.449 3.104 20 10 DGCDRN CO[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCCCC1 ZINC000854325015 620795717 /nfs/dbraw/zinc/79/57/17/620795717.db2.gz VFBAKWABECZTMU-GOSISDBHSA-N 0 0 318.461 3.306 20 10 DGCDRN COc1cc(C)cc(CNc2cnn([C@H](C)C3CC3)c2)c1O ZINC000894493821 618356780 /nfs/dbraw/zinc/35/67/80/618356780.db2.gz DQEMWEDTOXYVOC-GFCCVEGCSA-N 0 0 301.390 3.489 20 10 DGCDRN Cc1cc(CCNC(=O)c2c[nH]nc2C)c(C)n1-c1ccccc1 ZINC000920436586 620803257 /nfs/dbraw/zinc/80/32/57/620803257.db2.gz WVZRUCDCWXUFEV-UHFFFAOYSA-N 0 0 322.412 3.098 20 10 DGCDRN COc1cc(C)cc(C[NH2+][C@H](C)c2c(F)cncc2F)c1O ZINC000894756959 618447476 /nfs/dbraw/zinc/44/74/76/618447476.db2.gz OPFIGAOXACROHJ-SNVBAGLBSA-N 0 0 308.328 3.233 20 10 DGCDRN COc1ccc(CNc2ccc(OC(C)C)nc2)c(O)c1OC ZINC000893199240 618473668 /nfs/dbraw/zinc/47/36/68/618473668.db2.gz UCPOQCLFFNUTNO-UHFFFAOYSA-N 0 0 318.373 3.204 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000894862851 618482533 /nfs/dbraw/zinc/48/25/33/618482533.db2.gz IYYYQWODHPMBMB-INIZCTEOSA-N 0 0 309.356 3.061 20 10 DGCDRN CCc1ccccc1NC(=S)NCCc1ccc(O)c(O)c1 ZINC000018918622 618494216 /nfs/dbraw/zinc/49/42/16/618494216.db2.gz OXZAEMBCEMHRTA-UHFFFAOYSA-N 0 0 316.426 3.189 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2Cc3ccccc3S2)cc1 ZINC000014527387 618500147 /nfs/dbraw/zinc/50/01/47/618500147.db2.gz JIWFVASEDYLEOM-KRWDZBQOSA-N 0 0 312.438 3.086 20 10 DGCDRN CCCN1CCN(C(=O)C2=CC(=O)CS2)c2cc(F)ccc21 ZINC000854513670 620811386 /nfs/dbraw/zinc/81/13/86/620811386.db2.gz QMVCQJUCRIKXSY-UHFFFAOYSA-N 0 0 320.389 3.470 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cccc(-n3cccc3)c2)cc1 ZINC000015135197 618533648 /nfs/dbraw/zinc/53/36/48/618533648.db2.gz VGOBOXNNPNVHPU-UHFFFAOYSA-N 0 0 319.408 3.473 20 10 DGCDRN COc1ccc(CNc2n[nH]c(C(C)C)c2C)c(O)c1OC ZINC000895107371 618538439 /nfs/dbraw/zinc/53/84/39/618538439.db2.gz BNFOULDAMBEWHG-UHFFFAOYSA-N 0 0 305.378 3.176 20 10 DGCDRN Cc1ccc(CNC(=O)NCc2cccc(Cl)c2O)nc1C ZINC000895296890 618590681 /nfs/dbraw/zinc/59/06/81/618590681.db2.gz DLBZOHYOTQIJDG-UHFFFAOYSA-N 0 0 319.792 3.057 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(SC)o2)c1 ZINC000112393758 620821263 /nfs/dbraw/zinc/82/12/63/620821263.db2.gz SXPGPKIYWPWMPU-VIFPVBQESA-N 0 0 307.371 3.207 20 10 DGCDRN CC[S@@](C)(=O)=NC(=O)c1sccc1-n1c(C)ccc1C ZINC000925847554 618645395 /nfs/dbraw/zinc/64/53/95/618645395.db2.gz SQNFCKPTAGKYFV-HXUWFJFHSA-N 0 0 310.444 3.414 20 10 DGCDRN [O-]c1c(F)cc(F)cc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000893919470 618675915 /nfs/dbraw/zinc/67/59/15/618675915.db2.gz JUSREUQTOFGMAJ-UHFFFAOYSA-N 0 0 310.388 3.121 20 10 DGCDRN COc1ccc(CN[C@@H](C(C)C)C(F)(F)F)c(O)c1OC ZINC000893947121 618681886 /nfs/dbraw/zinc/68/18/86/618681886.db2.gz WVVCZRGINCKYAH-ZDUSSCGKSA-N 0 0 307.312 3.086 20 10 DGCDRN Nc1ccc(OCc2cn(CCCCc3ccccc3)nn2)cc1 ZINC000881207412 625286497 /nfs/dbraw/zinc/28/64/97/625286497.db2.gz QMLYLYASFBMDIB-UHFFFAOYSA-N 0 0 322.412 3.462 20 10 DGCDRN COCC[N@H+](Cc1ccc(C)o1)Cc1cc(F)cc(F)c1[O-] ZINC000894068185 618703883 /nfs/dbraw/zinc/70/38/83/618703883.db2.gz QVJCTFFNTRETHT-UHFFFAOYSA-N 0 0 311.328 3.220 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000894096676 618709402 /nfs/dbraw/zinc/70/94/02/618709402.db2.gz WEBMHVWOZDPGJI-UKRRQHHQSA-N 0 0 323.339 3.352 20 10 DGCDRN COc1cc(C)cc(CNc2cccc([S@@](C)=O)c2)c1O ZINC000894120125 618714644 /nfs/dbraw/zinc/71/46/44/618714644.db2.gz KPIBGVFHPYVVAH-OAQYLSRUSA-N 0 0 305.399 3.059 20 10 DGCDRN COCc1nccc(N[C@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000894217588 618732355 /nfs/dbraw/zinc/73/23/55/618732355.db2.gz AIUQUEGDEGRGSC-CQSZACIVSA-N 0 0 314.433 3.041 20 10 DGCDRN CCCCOc1ncccc1CNC(=O)Nc1ccc(N)cc1 ZINC000841301722 618804097 /nfs/dbraw/zinc/80/40/97/618804097.db2.gz XFQPMMLKXTZCIF-UHFFFAOYSA-N 0 0 314.389 3.164 20 10 DGCDRN CC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])[C@H]1CCCOC1 ZINC000895661343 618813968 /nfs/dbraw/zinc/81/39/68/618813968.db2.gz ABKAPFGPFANIIG-HZMBPMFUSA-N 0 0 301.789 3.480 20 10 DGCDRN Cc1cccc(O)c1CN=[S@](C)(=O)c1ccc(N(C)C)cc1 ZINC000895729524 618824478 /nfs/dbraw/zinc/82/44/78/618824478.db2.gz LUWQQXBCZKQLSC-JOCHJYFZSA-N 0 0 318.442 3.424 20 10 DGCDRN CN(C)c1ccc([S@](C)(=O)=NCc2ccccc2O)cc1 ZINC000895734925 618825992 /nfs/dbraw/zinc/82/59/92/618825992.db2.gz BCBMWOYNLHBFJL-NRFANRHFSA-N 0 0 304.415 3.115 20 10 DGCDRN COc1cccc(NCc2cc(OC)c(OC)cc2O)c1OC ZINC000895774869 618829615 /nfs/dbraw/zinc/82/96/15/618829615.db2.gz QITRWXOMYDBLIS-UHFFFAOYSA-N 0 0 319.357 3.039 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895780646 618831861 /nfs/dbraw/zinc/83/18/61/618831861.db2.gz RGTUMUQTERSRHL-AOOOYVTPSA-N 0 0 304.242 3.494 20 10 DGCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H]1C1CC1 ZINC000896148186 618879322 /nfs/dbraw/zinc/87/93/22/618879322.db2.gz AKKWKFMKJJZUFC-NSHDSACASA-N 0 0 303.383 3.327 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]2CCC3(CCC3)O2)c1 ZINC000896162431 618880203 /nfs/dbraw/zinc/88/02/03/618880203.db2.gz DRJBKJCXWKHORC-JSGCOSHPSA-N 0 0 319.401 3.070 20 10 DGCDRN Cc1cc(CO)cc(C)c1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000896562860 618928628 /nfs/dbraw/zinc/92/86/28/618928628.db2.gz ZYFNJWKVNNDXOE-UHFFFAOYSA-N 0 0 305.805 3.445 20 10 DGCDRN COC[C@H](C)Oc1ccc(C[NH2+]Cc2c([O-])cccc2F)cc1 ZINC000896638044 618939666 /nfs/dbraw/zinc/93/96/66/618939666.db2.gz NSPBXZROWFYUFD-ZDUSSCGKSA-N 0 0 319.376 3.235 20 10 DGCDRN CCOP(=O)(CCC[NH2+]Cc1c([O-])cccc1F)OCC ZINC000896638360 618939838 /nfs/dbraw/zinc/93/98/38/618939838.db2.gz PFMAVEKREDJFSL-UHFFFAOYSA-N 0 0 319.313 3.277 20 10 DGCDRN COc1ccc(C[NH2+]Cc2c([O-])cccc2F)c(C)c1OC ZINC000896637729 618939856 /nfs/dbraw/zinc/93/98/56/618939856.db2.gz LQRSVBIBKXWYOK-UHFFFAOYSA-N 0 0 305.349 3.147 20 10 DGCDRN Cc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2c([O-])cccc2F)c1 ZINC000896637369 618939872 /nfs/dbraw/zinc/93/98/72/618939872.db2.gz MSFWUWCXGPZKCN-ZDUSSCGKSA-N 0 0 316.376 3.347 20 10 DGCDRN CC(C)[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896943169 618990837 /nfs/dbraw/zinc/99/08/37/618990837.db2.gz DCPTZWYXXHMYGU-JTQLQIEISA-N 0 0 305.399 3.431 20 10 DGCDRN COC(=O)c1cnc(/C=C/c2ccc(N(C)C)cc2C)s1 ZINC000840717231 619036959 /nfs/dbraw/zinc/03/69/59/619036959.db2.gz OUUQZXXGGSFIOK-SOFGYWHQSA-N 0 0 302.399 3.475 20 10 DGCDRN CCn1cnc2c1CCN(Cc1cc(Cl)c(C)cc1O)C2 ZINC000897333354 619061893 /nfs/dbraw/zinc/06/18/93/619061893.db2.gz FHTRJZKRVYKDTQ-UHFFFAOYSA-N 0 0 305.809 3.129 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000897431193 619118993 /nfs/dbraw/zinc/11/89/93/619118993.db2.gz BJCWJHQATAYIJO-UHFFFAOYSA-N 0 0 305.809 3.332 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1CCOC12CCCCC2)c1ccccc1O ZINC000897643619 619170050 /nfs/dbraw/zinc/17/00/50/619170050.db2.gz XFKNVGKZHGKBTM-BBRMVZONSA-N 0 0 318.417 3.244 20 10 DGCDRN C[C@@H](NC(=O)N[C@H]1CCSC(C)(C)C1)c1ccccc1O ZINC000897854301 619188887 /nfs/dbraw/zinc/18/88/87/619188887.db2.gz DEDFRPKCKGARHP-NEPJUHHUSA-N 0 0 308.447 3.427 20 10 DGCDRN O=C(NC[C@@H]1C[C@H]1C1CC1)c1cc2cc(O)c(O)cc2s1 ZINC000897934633 619194107 /nfs/dbraw/zinc/19/41/07/619194107.db2.gz RDCDXLGNVXYRDJ-QWRGUYRKSA-N 0 0 303.383 3.088 20 10 DGCDRN O=C(N[C@@H]1C[C@H]1C1CCC1)c1cc2cc(O)c(O)cc2s1 ZINC000898009274 619201484 /nfs/dbraw/zinc/20/14/84/619201484.db2.gz LEPCUSRSGLGWSW-WDEREUQCSA-N 0 0 303.383 3.231 20 10 DGCDRN Cc1nn(C)c(C[NH2+]Cc2cccc(Cl)c2[O-])c1Cl ZINC000898215308 619222457 /nfs/dbraw/zinc/22/24/57/619222457.db2.gz KZXBMYDBKQFIOA-UHFFFAOYSA-N 0 0 300.189 3.031 20 10 DGCDRN COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])[C@H]1C ZINC000898218802 619222906 /nfs/dbraw/zinc/22/29/06/619222906.db2.gz PRPQGFOJXJCGQH-MJVIPROJSA-N 0 0 311.809 3.113 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2C[C@H]3CCC[C@@H]32)cc1 ZINC000898288525 619232355 /nfs/dbraw/zinc/23/23/55/619232355.db2.gz LLBCELSLPFZXLC-HYVNUMGLSA-N 0 0 301.434 3.083 20 10 DGCDRN CSC1(CNC(=O)NCc2ccc(N(C)C)cc2C)CCC1 ZINC000789024875 625330177 /nfs/dbraw/zinc/33/01/77/625330177.db2.gz LRRRPZBUAWENLL-UHFFFAOYSA-N 0 0 321.490 3.146 20 10 DGCDRN CCO[C@H](C[NH2+][C@H](CC)c1cccc(Cl)c1[O-])CN(C)C ZINC000926962607 619253392 /nfs/dbraw/zinc/25/33/92/619253392.db2.gz RASLHIDZSKWTER-IUODEOHRSA-N 0 0 314.857 3.053 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](CC(C)C)OC)cc1 ZINC000841065917 619258233 /nfs/dbraw/zinc/25/82/33/619258233.db2.gz UYYJYPXFXUQEIF-QGZVFWFLSA-N 0 0 306.450 3.210 20 10 DGCDRN C[C@@H]([NH2+]CCO[C@H]1CCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000927079547 619262870 /nfs/dbraw/zinc/26/28/70/619262870.db2.gz FXMKIFOYCWZAFT-ZJUUUORDSA-N 0 0 320.216 3.155 20 10 DGCDRN CC(C)[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC000898978110 619303851 /nfs/dbraw/zinc/30/38/51/619303851.db2.gz RMHPZWXQDJOQJK-OAHLLOKOSA-N 0 0 305.399 3.477 20 10 DGCDRN C[C@@H](NC(=O)N[C@H](c1ccncc1)C1CC1)c1ccccc1O ZINC000898997508 619305820 /nfs/dbraw/zinc/30/58/20/619305820.db2.gz BVARQHAFQVFYNS-PXAZEXFGSA-N 0 0 311.385 3.299 20 10 DGCDRN C[C@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927161169 619306443 /nfs/dbraw/zinc/30/64/43/619306443.db2.gz PGLJVIFFPPSKFU-NHYWBVRUSA-N 0 0 306.362 3.053 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)NC/C=C\Cl)cc1 ZINC000899054750 619308795 /nfs/dbraw/zinc/30/87/95/619308795.db2.gz DUPKKUKVZMMFDK-WDZFZDKYSA-N 0 0 309.841 3.427 20 10 DGCDRN Nc1ccc(OCc2cn(CCCc3ccsc3)nn2)cc1 ZINC000881334023 625337185 /nfs/dbraw/zinc/33/71/85/625337185.db2.gz LTLDVJISYZJVTO-UHFFFAOYSA-N 0 0 314.414 3.134 20 10 DGCDRN CCc1onc(C)c1/C=C1/SC(=S)N(C2CCC2)C1=O ZINC000899261041 619323894 /nfs/dbraw/zinc/32/38/94/619323894.db2.gz XXZQATWGJIABHX-KPKJPENVSA-N 0 0 308.428 3.299 20 10 DGCDRN CCc1onc(C)c1/C=C1\SC(=S)N(C2CCC2)C1=O ZINC000899261040 619324015 /nfs/dbraw/zinc/32/40/15/619324015.db2.gz XXZQATWGJIABHX-GHXNOFRVSA-N 0 0 308.428 3.299 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CC(F)(F)C(F)F ZINC000900399722 619425998 /nfs/dbraw/zinc/42/59/98/619425998.db2.gz HXBACDYBLGWPLN-UHFFFAOYSA-N 0 0 320.330 3.392 20 10 DGCDRN CCN(CC(F)(F)F)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000900456454 619430536 /nfs/dbraw/zinc/43/05/36/619430536.db2.gz MYPBRYATMVBYII-UHFFFAOYSA-N 0 0 319.304 3.337 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1c(C)[nH]nc1Cl ZINC000901053302 619469716 /nfs/dbraw/zinc/46/97/16/619469716.db2.gz NNDBXHBRHKZEEN-UHFFFAOYSA-N 0 0 307.781 3.130 20 10 DGCDRN Cc1ccc(O)c(CNc2cccn(CC(F)(F)F)c2=O)c1 ZINC000902238413 619606624 /nfs/dbraw/zinc/60/66/24/619606624.db2.gz NNFIDOHVZSUBKY-UHFFFAOYSA-N 0 0 312.291 3.037 20 10 DGCDRN Oc1ccc2ccncc2c1CN1CCn2nc(C3CC3)cc2C1 ZINC000902408136 619628151 /nfs/dbraw/zinc/62/81/51/619628151.db2.gz XODVEWCSWURONL-UHFFFAOYSA-N 0 0 320.396 3.030 20 10 DGCDRN C[C@H](N[C@@H]1C[NH2+]CC1(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000902450802 619639934 /nfs/dbraw/zinc/63/99/34/619639934.db2.gz UMIZMNYLNRUNIB-GZMMTYOYSA-N 0 0 303.233 3.348 20 10 DGCDRN Cc1cc(CN[C@@H](C)c2cn(C)nn2)c(C)n1-c1cccc(C)c1 ZINC000903069038 619714466 /nfs/dbraw/zinc/71/44/66/619714466.db2.gz BGCKAYDZLGPXEV-HNNXBMFYSA-N 0 0 323.444 3.382 20 10 DGCDRN CCN(C(=O)C[NH2+][C@@H](C)c1c([O-])cccc1F)c1ccccc1 ZINC000903194562 619734043 /nfs/dbraw/zinc/73/40/43/619734043.db2.gz FFPNTNIROSKJIS-ZDUSSCGKSA-N 0 0 316.376 3.235 20 10 DGCDRN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cnn(CCF)c2)c1O ZINC000903273649 619750579 /nfs/dbraw/zinc/75/05/79/619750579.db2.gz BXJAFUGBFWRRLF-LLVKDONJSA-N 0 0 311.788 3.371 20 10 DGCDRN C[C@@H]1C[C@H]([NH2+]Cc2cnn(CCF)c2)c2c1c(F)ccc2O ZINC000903274428 619750617 /nfs/dbraw/zinc/75/06/17/619750617.db2.gz MBTVXDJQHPNGBZ-MFKMUULPSA-N 0 0 307.344 3.035 20 10 DGCDRN C[C@@H]([NH2+]CC[C@H](O)C1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000903408852 619772023 /nfs/dbraw/zinc/77/20/23/619772023.db2.gz URFYHRVUKCIGKJ-RNCFNFMXSA-N 0 0 303.324 3.223 20 10 DGCDRN Cc1cc([C@@H](C)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)no1 ZINC000903449642 619778572 /nfs/dbraw/zinc/77/85/72/619778572.db2.gz YYANMBCZEXWNKR-KDOFPFPSSA-N 0 0 316.449 3.003 20 10 DGCDRN Cc1cc([C@H](C)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)no1 ZINC000903449643 619778711 /nfs/dbraw/zinc/77/87/11/619778711.db2.gz YYANMBCZEXWNKR-KSSFIOAISA-N 0 0 316.449 3.003 20 10 DGCDRN C[C@H](NC(=O)[C@@]1(C)OCCc2ccccc21)c1ccccc1O ZINC000881440873 625375146 /nfs/dbraw/zinc/37/51/46/625375146.db2.gz PLPWXLFHFMCJHC-DJJJIMSYSA-N 0 0 311.381 3.058 20 10 DGCDRN C[C@@H](NC(=O)N(O)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000904182387 619888806 /nfs/dbraw/zinc/88/88/06/619888806.db2.gz BZSDYXBOXQMYOE-CQSZACIVSA-N 0 0 313.401 3.415 20 10 DGCDRN C[C@H](NC(=O)Nc1ccc(N)cc1)c1cnn(CC2CCC2)c1 ZINC000904500036 619925662 /nfs/dbraw/zinc/92/56/62/619925662.db2.gz IMTJFUNLMBZGMD-LBPRGKRZSA-N 0 0 313.405 3.148 20 10 DGCDRN C[C@H]1CN(C(=O)Nc2ccc(N)cc2)CCN1c1ccccc1 ZINC000904502168 619925923 /nfs/dbraw/zinc/92/59/23/619925923.db2.gz XVJATRQPLJABEY-AWEZNQCLSA-N 0 0 310.401 3.011 20 10 DGCDRN C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)CCN1c1ccccc1 ZINC000904502169 619926054 /nfs/dbraw/zinc/92/60/54/619926054.db2.gz XVJATRQPLJABEY-CQSZACIVSA-N 0 0 310.401 3.011 20 10 DGCDRN CN(C)c1ccc(CN(C(=S)NC2(C)CC2)C2CC2)cc1 ZINC000789195939 625397572 /nfs/dbraw/zinc/39/75/72/625397572.db2.gz LFIWPDYIHAFBKH-UHFFFAOYSA-N 0 0 303.475 3.144 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC000908045965 620187692 /nfs/dbraw/zinc/18/76/92/620187692.db2.gz XKWWAGNKJZDJSU-AEFFLSMTSA-N 0 0 317.429 3.336 20 10 DGCDRN COc1ccc2c(c1)CCCN2CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000027579245 620228344 /nfs/dbraw/zinc/22/83/44/620228344.db2.gz LCAXKPWWBAKAFE-WMLDXEAASA-N 0 0 316.445 3.143 20 10 DGCDRN COc1ccc2c(c1)CCCN2C[C@@H](O)c1ccc(F)cc1 ZINC000027960021 620264227 /nfs/dbraw/zinc/26/42/27/620264227.db2.gz DEMVSMPJGRYCNO-GOSISDBHSA-N 0 0 301.361 3.321 20 10 DGCDRN C[C@@H](CCc1cccc(F)c1)C(=O)NCc1ccc(O)cc1O ZINC000910950123 620318587 /nfs/dbraw/zinc/31/85/87/620318587.db2.gz CPFPTTXEVNLYHC-LBPRGKRZSA-N 0 0 317.360 3.122 20 10 DGCDRN Cc1cccc(C2(C(=O)NCc3ccc(O)cc3O)CCC2)c1 ZINC000910951102 620318607 /nfs/dbraw/zinc/31/86/07/620318607.db2.gz BDWCLHXOLXXDPR-UHFFFAOYSA-N 0 0 311.381 3.144 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000910950149 620318615 /nfs/dbraw/zinc/31/86/15/620318615.db2.gz DETHFAQFAAKJDJ-PXNSSMCTSA-N 0 0 323.392 3.008 20 10 DGCDRN C[C@@H]1CCc2c(C(=O)NCc3ccc(O)cc3O)csc2C1 ZINC000910952039 620318637 /nfs/dbraw/zinc/31/86/37/620318637.db2.gz PZWODGXUWLTZTG-SNVBAGLBSA-N 0 0 317.410 3.214 20 10 DGCDRN CC1(C)C[C@]1(C(=O)NCc1ccc(O)cc1O)c1ccccc1 ZINC000910943884 620319568 /nfs/dbraw/zinc/31/95/68/620319568.db2.gz PUWVCAVRLFNRBS-LJQANCHMSA-N 0 0 311.381 3.082 20 10 DGCDRN Nc1ccc(NC(=O)C[C@@H]2CCC[C@H](C(F)(F)F)O2)cc1 ZINC000911659847 620339517 /nfs/dbraw/zinc/33/95/17/620339517.db2.gz FQHBLCHJZGJCCJ-NWDGAFQWSA-N 0 0 302.296 3.097 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)Nc2ccc(F)cc2F)cc1 ZINC000150731703 620388141 /nfs/dbraw/zinc/38/81/41/620388141.db2.gz VZQYXHZZNKFLLE-UHFFFAOYSA-N 0 0 320.339 3.438 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)Nc2cccc(OC)c2)cc1 ZINC000150734166 620388619 /nfs/dbraw/zinc/38/86/19/620388619.db2.gz YGRYRHPGGVCVCS-UHFFFAOYSA-N 0 0 314.385 3.169 20 10 DGCDRN Cn1c(-c2ccccc2)cnc1SCc1cn2cccnc2n1 ZINC000029036240 620399888 /nfs/dbraw/zinc/39/98/88/620399888.db2.gz BPWIZUXDUPFHAU-UHFFFAOYSA-N 0 0 321.409 3.422 20 10 DGCDRN Cc1cc(C(=O)N2CCC(=O)CC2)c(C)n1-c1ccccc1C ZINC000913623127 620465326 /nfs/dbraw/zinc/46/53/26/620465326.db2.gz HQRKMLWVDIQGTO-UHFFFAOYSA-N 0 0 310.397 3.208 20 10 DGCDRN Cc1cccc(C)c1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000151712482 620471605 /nfs/dbraw/zinc/47/16/05/620471605.db2.gz WSKXINOSNBYAQH-UHFFFAOYSA-N 0 0 300.377 3.439 20 10 DGCDRN C[C@@H](NC(=O)[C@H]1CCOC2(CCCC2)C1)c1ccccc1O ZINC000913763380 620477949 /nfs/dbraw/zinc/47/79/49/620477949.db2.gz FDKGKCRZPAFVPU-KGLIPLIRSA-N 0 0 303.402 3.309 20 10 DGCDRN CCCN(CCC)C(=O)COc1ccc(N2CCCC2)cc1 ZINC000152005598 620487617 /nfs/dbraw/zinc/48/76/17/620487617.db2.gz BFGCMAYAJVAFOZ-UHFFFAOYSA-N 0 0 304.434 3.314 20 10 DGCDRN CCc1ccc(CNC(=O)NCc2c(O)cccc2F)s1 ZINC000914154654 620509383 /nfs/dbraw/zinc/50/93/83/620509383.db2.gz KGHZLQZCNWOXKK-UHFFFAOYSA-N 0 0 308.378 3.155 20 10 DGCDRN CCC[C@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000152495390 620509688 /nfs/dbraw/zinc/50/96/88/620509688.db2.gz LHKUQSHTFTXXES-HNNXBMFYSA-N 0 0 307.434 3.396 20 10 DGCDRN Cc1ccc(CN(C)C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000031726265 620528450 /nfs/dbraw/zinc/52/84/50/620528450.db2.gz FESXWXSCYVIYJZ-UHFFFAOYSA-N 0 0 311.429 3.403 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N1CCCC1 ZINC000914460810 620536665 /nfs/dbraw/zinc/53/66/65/620536665.db2.gz HCWIYUGFZYJVNW-UHFFFAOYSA-N 0 0 301.434 3.325 20 10 DGCDRN CCc1cccc(OC[C@@H](O)CNc2ccccc2OC)c1 ZINC000032186255 620553182 /nfs/dbraw/zinc/55/31/82/620553182.db2.gz UINPUZUVUGUBTM-HNNXBMFYSA-N 0 0 301.386 3.109 20 10 DGCDRN COc1cc(N(C)Cc2ccc(C)cn2)cc(OC)c1OC ZINC000153360982 620555570 /nfs/dbraw/zinc/55/55/70/620555570.db2.gz YRQKMMXGBPZCSG-UHFFFAOYSA-N 0 0 302.374 3.052 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC[C@H]2CCCO2)cc1 ZINC000914833859 620556297 /nfs/dbraw/zinc/55/62/97/620556297.db2.gz RHJAMTSQTBODGW-GOSISDBHSA-N 0 0 312.413 3.393 20 10 DGCDRN Cc1cc(C(=O)Nc2ccncc2)c(C)n1-c1cccc(C)c1 ZINC000915189888 620571983 /nfs/dbraw/zinc/57/19/83/620571983.db2.gz ADFPGLRTOLGYBE-UHFFFAOYSA-N 0 0 305.381 3.472 20 10 DGCDRN CC[C@@H]1CCCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000915212881 620573264 /nfs/dbraw/zinc/57/32/64/620573264.db2.gz OYDFWKATPYRMSV-FNOHHLHBSA-N 0 0 318.373 3.407 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2nc3c(s2)CCC3)cc1 ZINC000915319969 620580832 /nfs/dbraw/zinc/58/08/32/620580832.db2.gz BTKGTOPNRQPCAF-UHFFFAOYSA-N 0 0 316.430 3.020 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2cc(-c3ccoc3)n[nH]2)cc1 ZINC000915681265 620594143 /nfs/dbraw/zinc/59/41/43/620594143.db2.gz VCZRYQPJRRKTQF-UHFFFAOYSA-N 0 0 324.384 3.008 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)COC2CCCC2)cc1 ZINC000916041496 620615375 /nfs/dbraw/zinc/61/53/75/620615375.db2.gz AEIIOTHKDOPEHP-UHFFFAOYSA-N 0 0 318.461 3.450 20 10 DGCDRN CCC/C(C)=C\C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000920882530 620826616 /nfs/dbraw/zinc/82/66/16/620826616.db2.gz RRIOTQOUASBWGW-YARYAAFXSA-N 0 0 316.445 3.447 20 10 DGCDRN Cc1cc(C(=O)NCC2CSC2)c(C)n1-c1cccc(C)c1 ZINC000854874167 620847680 /nfs/dbraw/zinc/84/76/80/620847680.db2.gz XNVKRCWNSDJORM-UHFFFAOYSA-N 0 0 314.454 3.495 20 10 DGCDRN Cc1cc(CC(=O)NCC2CSC2)c(C)n1-c1ccccc1 ZINC000854874154 620847935 /nfs/dbraw/zinc/84/79/35/620847935.db2.gz WYTVFBSFZQJQDR-UHFFFAOYSA-N 0 0 314.454 3.116 20 10 DGCDRN CC(C)(CO)[C@H](NC(=O)C1=CC(=O)CS1)c1cccs1 ZINC000855112071 620870000 /nfs/dbraw/zinc/87/00/00/620870000.db2.gz WUJABWTWYLIUJC-GFCCVEGCSA-N 0 0 311.428 3.005 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)/C=C/C3CCCC3)C2)cc1 ZINC000855226764 620881715 /nfs/dbraw/zinc/88/17/15/620881715.db2.gz UBHBACCCMREKQM-RFKZRZAASA-N 0 0 314.429 3.137 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCC(C)(C)C3)C2)cc1 ZINC000855224550 620881756 /nfs/dbraw/zinc/88/17/56/620881756.db2.gz FWNPMBWYAHNRRK-GJZGRUSLSA-N 0 0 316.445 3.216 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)C=C3CCCCC3)C2)cc1 ZINC000855231987 620882234 /nfs/dbraw/zinc/88/22/34/620882234.db2.gz ZNJPKOJFFAPCMC-INIZCTEOSA-N 0 0 314.429 3.281 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)[C@H](C)C3CCCC3)C2)cc1 ZINC000855231080 620882239 /nfs/dbraw/zinc/88/22/39/620882239.db2.gz JGDVSXUBNACWAP-ZBFHGGJFSA-N 0 0 316.445 3.216 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)c3ccccc3)C2)cc1 ZINC000855228079 620882403 /nfs/dbraw/zinc/88/24/03/620882403.db2.gz UXEFZUNJYUBXJQ-DOTOQJQBSA-N 0 0 324.424 3.194 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)CCc3ccccc3)C2)cc1 ZINC000855234592 620882802 /nfs/dbraw/zinc/88/28/02/620882802.db2.gz FVAJZPVGHFVZCP-QGZVFWFLSA-N 0 0 324.424 3.023 20 10 DGCDRN CCC(=CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)CC ZINC000855234091 620882880 /nfs/dbraw/zinc/88/28/80/620882880.db2.gz RZEMNNYXRLCYHG-OAHLLOKOSA-N 0 0 302.418 3.137 20 10 DGCDRN COc1cccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c1OC ZINC000921558352 620909324 /nfs/dbraw/zinc/90/93/24/620909324.db2.gz XIQOPVJFHXWODM-UHFFFAOYSA-N 0 0 313.397 3.319 20 10 DGCDRN CCc1[nH]nc(Cl)c1C[NH2+]CCCSc1nccs1 ZINC000921754504 620944681 /nfs/dbraw/zinc/94/46/81/620944681.db2.gz MBYXKCBQOXKPEX-UHFFFAOYSA-N 0 0 316.883 3.354 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)c1ccc(C)c(O)c1O)CCC2 ZINC000856076346 620958177 /nfs/dbraw/zinc/95/81/77/620958177.db2.gz BMXPYGGSPFBVDK-UHFFFAOYSA-N 0 0 313.353 3.008 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C=C/c1cccnc1C)CCC2 ZINC000856078472 620958622 /nfs/dbraw/zinc/95/86/22/620958622.db2.gz RFHYZDQJRPIHCE-CSKARUKUSA-N 0 0 308.381 3.391 20 10 DGCDRN CCC(=CC(=O)NCc1ccc(N2CCC(O)CC2)cc1)CC ZINC000856212706 620972607 /nfs/dbraw/zinc/97/26/07/620972607.db2.gz SLZVZVQNMQJRJB-UHFFFAOYSA-N 0 0 316.445 3.010 20 10 DGCDRN CCCC(C)(C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856209263 620972718 /nfs/dbraw/zinc/97/27/18/620972718.db2.gz JIRJTDQQIIMUPD-UHFFFAOYSA-N 0 0 318.461 3.090 20 10 DGCDRN CCN(CCOc1ccccc1OC)C(=O)C1=CC(=O)CS1 ZINC000856313885 620983622 /nfs/dbraw/zinc/98/36/22/620983622.db2.gz ZIHXHEDJOBFQTQ-UHFFFAOYSA-N 0 0 321.398 3.003 20 10 DGCDRN CC[C@@H](C)c1nnc([C@@H](C)NCc2ccc3c(c2)CCCO3)[nH]1 ZINC000922053343 620983860 /nfs/dbraw/zinc/98/38/60/620983860.db2.gz GJXNAAJGBVLXCE-CHWSQXEVSA-N 0 0 314.433 3.494 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CC2CC1(c1ccccc1)C2 ZINC000856439658 620994731 /nfs/dbraw/zinc/99/47/31/620994731.db2.gz CESAJTZADIALDR-CLFYSBASSA-N 0 0 321.376 3.259 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2cc(C)ccc2F)c1 ZINC000114566063 621015381 /nfs/dbraw/zinc/01/53/81/621015381.db2.gz IPEBMSDRURPVOO-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2ccc(F)c(F)c2)c1 ZINC000114565248 621015624 /nfs/dbraw/zinc/01/56/24/621015624.db2.gz WUQSSFZCSKVQCC-UHFFFAOYSA-N 0 0 308.284 3.001 20 10 DGCDRN C[C@H](NC(=O)NCC[C@H]1CC1(F)F)c1ccc(N(C)C)cc1 ZINC000856847971 621028542 /nfs/dbraw/zinc/02/85/42/621028542.db2.gz AANVTZLNCYWQAO-AAEUAGOBSA-N 0 0 311.376 3.158 20 10 DGCDRN CC1CC(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000856960082 621038172 /nfs/dbraw/zinc/03/81/72/621038172.db2.gz KZAFRPXDPPQSBY-UHFFFAOYSA-N 0 0 315.461 3.473 20 10 DGCDRN COC(C)(C)[C@H](C)[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000922582046 621061176 /nfs/dbraw/zinc/06/11/76/621061176.db2.gz RWRBNVSQOLGSIC-JTQLQIEISA-N 0 0 316.239 3.366 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1[nH]c(C)nc1C ZINC000857245825 621073131 /nfs/dbraw/zinc/07/31/31/621073131.db2.gz VOEMQZXZDRFOQK-UHFFFAOYSA-N 0 0 301.390 3.175 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C2(c3cccc(F)c3)CC2)cc1 ZINC000115009898 621075289 /nfs/dbraw/zinc/07/52/89/621075289.db2.gz VMBOFAJJPMYAFV-UHFFFAOYSA-N 0 0 312.388 3.240 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1nc2c(s1)CCCC2 ZINC000922699818 621084721 /nfs/dbraw/zinc/08/47/21/621084721.db2.gz HZZQZOJOWDRACD-UHFFFAOYSA-N 0 0 310.369 3.296 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CC[C@H]1CCCCO1 ZINC000115280552 621094576 /nfs/dbraw/zinc/09/45/76/621094576.db2.gz JMOAVMUHIYIJBA-QGZVFWFLSA-N 0 0 304.434 3.027 20 10 DGCDRN CCS[C@@H](C(=O)NCc1ccc(N(C)C)cc1C)C(C)C ZINC000115280517 621094608 /nfs/dbraw/zinc/09/46/08/621094608.db2.gz OMQYDINKNVAVJU-MRXNPFEDSA-N 0 0 308.491 3.455 20 10 DGCDRN CCS[C@H](C(=O)NCc1ccc(N(C)C)cc1C)C(C)C ZINC000115280514 621094624 /nfs/dbraw/zinc/09/46/24/621094624.db2.gz OMQYDINKNVAVJU-INIZCTEOSA-N 0 0 308.491 3.455 20 10 DGCDRN O=C(Cc1ccc(F)c(F)c1)NCc1cc(Cl)ccc1O ZINC000857547692 621094846 /nfs/dbraw/zinc/09/48/46/621094846.db2.gz PSVHUQFVMWFULX-UHFFFAOYSA-N 0 0 311.715 3.183 20 10 DGCDRN Cc1ccc(F)c(OCC(=O)NCc2cc(Cl)ccc2O)c1 ZINC000857547468 621095140 /nfs/dbraw/zinc/09/51/40/621095140.db2.gz FUIONPAYLDFYMR-UHFFFAOYSA-N 0 0 323.751 3.188 20 10 DGCDRN CCn1c(C)cc(C(=O)NCc2ccc(N(C)C)cc2C)c1C ZINC000115489946 621116427 /nfs/dbraw/zinc/11/64/27/621116427.db2.gz RRVVIGKVMYZSHA-UHFFFAOYSA-N 0 0 313.445 3.429 20 10 DGCDRN Cc1cccc(O)c1CNc1ccc(CN2CCOC2=O)cc1 ZINC000857761144 621118163 /nfs/dbraw/zinc/11/81/63/621118163.db2.gz ZLZXPKCPXXBKEY-UHFFFAOYSA-N 0 0 312.369 3.265 20 10 DGCDRN C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1cc(F)cc(F)c1[O-] ZINC000756420060 621118803 /nfs/dbraw/zinc/11/88/03/621118803.db2.gz VSFWWQIMQDKBRE-SNVBAGLBSA-N 0 0 313.344 3.007 20 10 DGCDRN CCN(C)c1ccc(CN2Cc3ccccc3N(C)C(=O)C2)cc1 ZINC000857887432 621127727 /nfs/dbraw/zinc/12/77/27/621127727.db2.gz QLNNAEQBKCCYKU-UHFFFAOYSA-N 0 0 323.440 3.121 20 10 DGCDRN CCc1onc(C)c1CNCc1cc(F)c(N(C)C)cc1F ZINC000922982841 621141842 /nfs/dbraw/zinc/14/18/42/621141842.db2.gz VZAXXTYTJHVGLH-UHFFFAOYSA-N 0 0 309.360 3.179 20 10 DGCDRN CN(C)c1cc(F)c(CNCc2ccc([N+](=O)[O-])cc2)cc1F ZINC000858100375 621152760 /nfs/dbraw/zinc/15/27/60/621152760.db2.gz FPGATYQQTOTQKF-UHFFFAOYSA-N 0 0 321.327 3.229 20 10 DGCDRN C[C@@H]1C[C@@H](NCc2cc(F)c(N(C)C)cc2F)c2nccn21 ZINC000858171766 621161091 /nfs/dbraw/zinc/16/10/91/621161091.db2.gz CQDCJOPLTZEZDX-QMTHXVAHSA-N 0 0 306.360 3.023 20 10 DGCDRN Cc1ccc(CNCc2cc(F)c(N(C)C)cc2F)nc1C ZINC000858178379 621162133 /nfs/dbraw/zinc/16/21/33/621162133.db2.gz WDKABUZDGHATFV-UHFFFAOYSA-N 0 0 305.372 3.332 20 10 DGCDRN Cc1ccc2c(c1)[C@@H](NC(=O)NCc1cc(C)ccc1O)CC2 ZINC000858201169 621164146 /nfs/dbraw/zinc/16/41/46/621164146.db2.gz IXKFZLSARMHWBJ-KRWDZBQOSA-N 0 0 310.397 3.496 20 10 DGCDRN COc1cc(NCc2ccc(N(C)C)cc2C(F)(F)F)[nH]n1 ZINC000858231712 621166860 /nfs/dbraw/zinc/16/68/60/621166860.db2.gz VNNMIRXHWUKPMO-UHFFFAOYSA-N 0 0 314.311 3.115 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000858232520 621166882 /nfs/dbraw/zinc/16/68/82/621166882.db2.gz ZVNUOIKFILEHQG-VIFPVBQESA-N 0 0 322.758 3.004 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H](C)Cc2cccs2)c1 ZINC000858249561 621168096 /nfs/dbraw/zinc/16/80/96/621168096.db2.gz WNPIOHSPXIROEG-ZDUSSCGKSA-N 0 0 318.442 3.440 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC(F)(F)F ZINC000858295192 621172867 /nfs/dbraw/zinc/17/28/67/621172867.db2.gz XFDMWKQXCBNGFJ-UHFFFAOYSA-N 0 0 324.302 3.199 20 10 DGCDRN CC[C@H](NC(=O)NCc1cc(C)ccc1O)c1c(C)noc1C ZINC000858324859 621175796 /nfs/dbraw/zinc/17/57/96/621175796.db2.gz IREILBXYLNLBIT-AWEZNQCLSA-N 0 0 317.389 3.256 20 10 DGCDRN C[C@H]([NH2+]Cc1csc(N(C)C)n1)c1cc(Cl)ccc1O ZINC000756638019 621186443 /nfs/dbraw/zinc/18/64/43/621186443.db2.gz QHENLTXGQUJKMZ-VIFPVBQESA-N 0 0 311.838 3.419 20 10 DGCDRN CC(C)[C@@](C)(O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788591881 621201959 /nfs/dbraw/zinc/20/19/59/621201959.db2.gz JHRBZVMKKYTZGJ-HZMBPMFUSA-N 0 0 305.340 3.469 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC[C@H]2CCC[C@@H]2C2CC2)c1 ZINC000858537114 621202643 /nfs/dbraw/zinc/20/26/43/621202643.db2.gz MNUHMHNGXMUHKN-GDBMZVCRSA-N 0 0 302.418 3.326 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C)c2ccns2)c1 ZINC000858577051 621206367 /nfs/dbraw/zinc/20/63/67/621206367.db2.gz OIRPFNXGDPJSKS-NXEZZACHSA-N 0 0 306.387 3.047 20 10 DGCDRN CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2cc(Br)ccc2O)C1 ZINC000858592446 621208258 /nfs/dbraw/zinc/20/82/58/621208258.db2.gz BWOFILFBBHQGRZ-JBLDHEPKSA-N 0 0 314.223 3.230 20 10 DGCDRN COc1cccc(CNC(=O)NCc2cc(C)ccc2O)c1C ZINC000858625137 621210858 /nfs/dbraw/zinc/21/08/58/621210858.db2.gz OQINCNIZWUCUMF-UHFFFAOYSA-N 0 0 314.385 3.017 20 10 DGCDRN CCC[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)OCC ZINC000858683912 621214363 /nfs/dbraw/zinc/21/43/63/621214363.db2.gz YGQKINLNYMJIAY-ZDUSSCGKSA-N 0 0 314.813 3.050 20 10 DGCDRN O=C(NCc1ccccc1O)NCC1(C(F)(F)F)CCCC1 ZINC000858935451 621233042 /nfs/dbraw/zinc/23/30/42/621233042.db2.gz SIZUQLJDEKQWEB-UHFFFAOYSA-N 0 0 316.323 3.314 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)NC[C@H]1CCCC12CC2 ZINC000859012578 621238985 /nfs/dbraw/zinc/23/89/85/621238985.db2.gz SFECJBZRLDWDFV-GFCCVEGCSA-N 0 0 308.809 3.425 20 10 DGCDRN COc1ccc(N(CCOC2CCOCC2)CC(C)C)cc1 ZINC000859175056 621257217 /nfs/dbraw/zinc/25/72/17/621257217.db2.gz BRCDXIIKAJREPF-UHFFFAOYSA-N 0 0 307.434 3.353 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC(C(C)(C)C)C1 ZINC000838480284 621258733 /nfs/dbraw/zinc/25/87/33/621258733.db2.gz XAWGEAIHFIYZHQ-UHFFFAOYSA-N 0 0 303.450 3.249 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC1(C2(C)CC2)CC1 ZINC000838478882 621258754 /nfs/dbraw/zinc/25/87/54/621258754.db2.gz NHSVACOIGQCZOJ-UHFFFAOYSA-N 0 0 301.434 3.193 20 10 DGCDRN C[C@]1(F)CCCN(C(=O)NCCCSc2nccs2)C1 ZINC000838515172 621261701 /nfs/dbraw/zinc/26/17/01/621261701.db2.gz JVVYQFYZIGPGMX-ZDUSSCGKSA-N 0 0 317.455 3.159 20 10 DGCDRN CCC[C@@H](NC(=O)NCc1cccc(OC)c1O)C(C)(C)C ZINC000838657168 621266987 /nfs/dbraw/zinc/26/69/87/621266987.db2.gz AXNBMSSTTXDOQO-CQSZACIVSA-N 0 0 308.422 3.415 20 10 DGCDRN CC/C=C/CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000838656717 621267119 /nfs/dbraw/zinc/26/71/19/621267119.db2.gz AIMBENMUZSKPOB-AATRIKPKSA-N 0 0 301.434 3.393 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)c2nccn2C)cc1 ZINC000788112416 621272477 /nfs/dbraw/zinc/27/24/77/621272477.db2.gz YNHSLNNXPBUEJQ-UHFFFAOYSA-N 0 0 308.385 3.104 20 10 DGCDRN CC(C)C[C@@H]1C[C@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000838754557 621275528 /nfs/dbraw/zinc/27/55/28/621275528.db2.gz KYRWTCZCYWEVBR-NVXWUHKLSA-N 0 0 303.450 3.329 20 10 DGCDRN CCN(CC)c1ccc(CN(C)Cc2cc(COC)on2)cc1 ZINC000838786806 621280367 /nfs/dbraw/zinc/28/03/67/621280367.db2.gz DXWOJLIHRANKPC-UHFFFAOYSA-N 0 0 317.433 3.299 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]Cc2cnc(C3CC3)nc2)cc1 ZINC000838906823 621296217 /nfs/dbraw/zinc/29/62/17/621296217.db2.gz QNGGMHUJIFZHIV-UHFFFAOYSA-N 0 0 310.445 3.490 20 10 DGCDRN Nc1ccc(CNC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)cc1 ZINC000859594045 621296792 /nfs/dbraw/zinc/29/67/92/621296792.db2.gz OIIZKRBMPRNIMK-HYVNUMGLSA-N 0 0 312.800 3.124 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CC(C)(C)COC ZINC000839474583 621379313 /nfs/dbraw/zinc/37/93/13/621379313.db2.gz RJTVRLKFWAGNAM-UHFFFAOYSA-N 0 0 306.450 3.164 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccccc1CC ZINC000808095530 621385361 /nfs/dbraw/zinc/38/53/61/621385361.db2.gz IJOFADCYZJOAJB-UHFFFAOYSA-N 0 0 304.386 3.370 20 10 DGCDRN COc1ccc(O)c(CNC(=O)CC2CCC(F)(F)CC2)c1 ZINC000860242167 621385701 /nfs/dbraw/zinc/38/57/01/621385701.db2.gz QIXCPCNCABHOAT-UHFFFAOYSA-N 0 0 313.344 3.233 20 10 DGCDRN Cc1cc(NS(=O)(=O)c2ccc(C(F)F)cc2)ccc1O ZINC000808098292 621385800 /nfs/dbraw/zinc/38/58/00/621385800.db2.gz ILJFQTUPNJPATL-UHFFFAOYSA-N 0 0 313.325 3.439 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@](C)(O)COC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806139057 621387675 /nfs/dbraw/zinc/38/76/75/621387675.db2.gz HTWGBWWTICEVMG-TZMCWYRMSA-N 0 0 322.232 3.137 20 10 DGCDRN CC(C)(C)c1cnc(SC[C@H]2CCCS(=O)(=O)C2)s1 ZINC000789929042 621392069 /nfs/dbraw/zinc/39/20/69/621392069.db2.gz ISWZCAVKOQASPU-SNVBAGLBSA-N 0 0 319.517 3.358 20 10 DGCDRN Fc1ccc(NC(=S)NCc2ncccc2F)cc1Cl ZINC000752767058 621409078 /nfs/dbraw/zinc/40/90/78/621409078.db2.gz YCTYAXTVTRVTIB-UHFFFAOYSA-N 0 0 313.760 3.500 20 10 DGCDRN Cc1ccc([C@H](C)NC(=O)C2=CC(=O)CS2)cc1[N+](=O)[O-] ZINC000752816288 621411461 /nfs/dbraw/zinc/41/14/61/621411461.db2.gz RZBDNMPLRMTJJP-VIFPVBQESA-N 0 0 306.343 3.161 20 10 DGCDRN CC[C@@H](CNC(=O)C1=CC(=O)CS1)Oc1cccc(C)c1 ZINC000752815255 621411469 /nfs/dbraw/zinc/41/14/69/621411469.db2.gz DVJVOWVXWLUOFL-ZDUSSCGKSA-N 0 0 305.399 3.350 20 10 DGCDRN CC[C@H](CNC(=O)C1=CC(=O)CS1)Oc1cccc(C)c1 ZINC000752815253 621411585 /nfs/dbraw/zinc/41/15/85/621411585.db2.gz DVJVOWVXWLUOFL-CYBMUJFWSA-N 0 0 305.399 3.350 20 10 DGCDRN COc1cc(F)c(F)cc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000753082784 621423852 /nfs/dbraw/zinc/42/38/52/621423852.db2.gz FHOXVILFQXRGLS-HWKANZROSA-N 0 0 321.279 3.037 20 10 DGCDRN CS[C@@H](CNC(=O)N(C)Cc1ccccc1O)C(C)(C)C ZINC000753282962 621435502 /nfs/dbraw/zinc/43/55/02/621435502.db2.gz GFRFTKLBVXYAQO-AWEZNQCLSA-N 0 0 310.463 3.311 20 10 DGCDRN O=C(Nc1csc(-c2ccccn2)n1)C1=CC(=O)CS1 ZINC000753466199 621441793 /nfs/dbraw/zinc/44/17/93/621441793.db2.gz QUZSVHZNMLQAQC-UHFFFAOYSA-N 0 0 303.368 3.225 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)c3cocc3C)C2)cc1 ZINC000860842937 621449418 /nfs/dbraw/zinc/44/94/18/621449418.db2.gz SDVJCYKVRPRPSZ-CQSZACIVSA-N 0 0 315.369 3.280 20 10 DGCDRN COc1cccc(CNc2cn(C)nc2-c2ccccc2)c1O ZINC000753569025 621449561 /nfs/dbraw/zinc/44/95/61/621449561.db2.gz NTTJXIPFEWCNRI-UHFFFAOYSA-N 0 0 309.369 3.413 20 10 DGCDRN C[C@H]1C[C@@H](CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC000753584955 621451373 /nfs/dbraw/zinc/45/13/73/621451373.db2.gz CHBUOWKDFMUUJA-QWRGUYRKSA-N 0 0 301.789 3.480 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2cnc3c(c2)CCCC3)c1 ZINC000860905926 621457512 /nfs/dbraw/zinc/45/75/12/621457512.db2.gz GXFBHTYEHBSFIE-UHFFFAOYSA-N 0 0 311.385 3.296 20 10 DGCDRN CCc1nc(C(=O)NCc2ccc(N(CC)CC)cc2)co1 ZINC000753671648 621459345 /nfs/dbraw/zinc/45/93/45/621459345.db2.gz CWECLKYCDCWYCQ-UHFFFAOYSA-N 0 0 301.390 3.013 20 10 DGCDRN CCn1nccc1/C=C1\SC(=S)N(c2ccccc2)C1=O ZINC000753683893 621460125 /nfs/dbraw/zinc/46/01/25/621460125.db2.gz XXPQKWNHSDNAJO-RAXLEYEMSA-N 0 0 315.423 3.309 20 10 DGCDRN Cc1[nH]c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)c1C=O ZINC000860949608 621461476 /nfs/dbraw/zinc/46/14/76/621461476.db2.gz BCSMBGSPPBMRHE-LBPRGKRZSA-N 0 0 313.401 3.001 20 10 DGCDRN CC[C@H](C)[C@H](NC(=O)NCc1cc(C)ccc1O)C(F)(F)F ZINC000861021519 621468616 /nfs/dbraw/zinc/46/86/16/621468616.db2.gz DJUKOKLAVVZGRK-GWCFXTLKSA-N 0 0 318.339 3.477 20 10 DGCDRN COc1ccc(N2CC[NH+](Cc3ccccc3C)CC2)cc1F ZINC000753857897 621469185 /nfs/dbraw/zinc/46/91/85/621469185.db2.gz QPMKPYOMWGFBAM-UHFFFAOYSA-N 0 0 314.404 3.465 20 10 DGCDRN CC(=O)C[C@@H](C)NC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC000753863954 621469356 /nfs/dbraw/zinc/46/93/56/621469356.db2.gz XDOAOSIFBCPTGX-CYBMUJFWSA-N 0 0 312.413 3.500 20 10 DGCDRN Cc1cc(NC(=O)NCc2cc(C)ccc2O)nn1C(C)C ZINC000861183561 621488747 /nfs/dbraw/zinc/48/87/47/621488747.db2.gz LNDJZWWYSSKODY-UHFFFAOYSA-N 0 0 302.378 3.108 20 10 DGCDRN CC[C@H](CCOC)OC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000754585840 621519236 /nfs/dbraw/zinc/51/92/36/621519236.db2.gz SOGKTQZQIIXFKU-OAHLLOKOSA-N 0 0 316.401 3.461 20 10 DGCDRN Cc1cccc(C)c1NC(=S)NCc1cccc(N(C)C)n1 ZINC000754691114 621525052 /nfs/dbraw/zinc/52/50/52/621525052.db2.gz FEJDRCYEQUWSBI-UHFFFAOYSA-N 0 0 314.458 3.251 20 10 DGCDRN C/C=C\C[C@@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000861639137 621530765 /nfs/dbraw/zinc/53/07/65/621530765.db2.gz AMSKSCDPIMQLFS-RXYHWBRQSA-N 0 0 301.434 3.199 20 10 DGCDRN CC1(C)CCC[C@@H]1CCNC(=O)NCCc1ccc(N)cc1 ZINC000861641632 621531233 /nfs/dbraw/zinc/53/12/33/621531233.db2.gz VBGGUOBNBJYCKW-OAHLLOKOSA-N 0 0 303.450 3.327 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2C[C@@H](C)[C@@H]2C)c1 ZINC000861837163 621540357 /nfs/dbraw/zinc/54/03/57/621540357.db2.gz QSYKWUAQODXPLW-OCCSQVGLSA-N 0 0 310.397 3.387 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC2(CC2)C1 ZINC000861853414 621541106 /nfs/dbraw/zinc/54/11/06/621541106.db2.gz DDKKOWFUVLWRML-UHFFFAOYSA-N 0 0 308.381 3.143 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)C1(C(F)(F)F)CCC1 ZINC000862026339 621551069 /nfs/dbraw/zinc/55/10/69/621551069.db2.gz KYCKQHGPBYBRKI-UHFFFAOYSA-N 0 0 324.302 3.289 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)[C@@H]1CC2CCC1CC2 ZINC000862025796 621551190 /nfs/dbraw/zinc/55/11/90/621551190.db2.gz BDFBUWOCCVBHOO-SEEARECTSA-N 0 0 310.397 3.383 20 10 DGCDRN Cc1noc(C2CC2)c1C(=O)NCc1ccc2cccnc2c1O ZINC000862027003 621551208 /nfs/dbraw/zinc/55/12/08/621551208.db2.gz GRMDHDQFWQSPGK-UHFFFAOYSA-N 0 0 323.352 3.044 20 10 DGCDRN O=C(NCCC1CCC1)NCc1ccc(N2CCCC2)cc1 ZINC000755125269 621553379 /nfs/dbraw/zinc/55/33/79/621553379.db2.gz BDYIIYPAZIKNRS-UHFFFAOYSA-N 0 0 301.434 3.276 20 10 DGCDRN COC[C@@H](C)CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000755173215 621557007 /nfs/dbraw/zinc/55/70/07/621557007.db2.gz GLFLPMKCOWJQSU-HNNXBMFYSA-N 0 0 306.450 3.162 20 10 DGCDRN Oc1ccc(F)cc1CN[C@H](c1nccs1)C(F)(F)F ZINC000862431299 621588452 /nfs/dbraw/zinc/58/84/52/621588452.db2.gz HEYFNPZUILBEAS-SNVBAGLBSA-N 0 0 306.284 3.381 20 10 DGCDRN CCN(CC)c1ccc(CN2CCO[C@H](CCF)C2)cc1F ZINC000862530538 621597273 /nfs/dbraw/zinc/59/72/73/621597273.db2.gz OEIYHXMXFVFLAH-OAHLLOKOSA-N 0 0 312.404 3.232 20 10 DGCDRN Cc1ccc(CNC(=O)C2=CC(=O)CS2)c(OCC2CC2)c1 ZINC000755859397 621598491 /nfs/dbraw/zinc/59/84/91/621598491.db2.gz FKAKPOABGLMQLF-UHFFFAOYSA-N 0 0 317.410 3.481 20 10 DGCDRN O=C(Nc1cnn(-c2ccccc2F)c1)C1=CC(=O)CS1 ZINC000755870304 621599187 /nfs/dbraw/zinc/59/91/87/621599187.db2.gz BUQAGFACEWNBPU-UHFFFAOYSA-N 0 0 303.318 3.031 20 10 DGCDRN CC[C@H](CCO)NC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000755989392 621608299 /nfs/dbraw/zinc/60/82/99/621608299.db2.gz JDKNGVHJUZPBGQ-MRXNPFEDSA-N 0 0 314.429 3.293 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](c1ccccn1)C1CCC1 ZINC000862744829 621612746 /nfs/dbraw/zinc/61/27/46/621612746.db2.gz IBYGHYFBCYBXNO-LHUXKHBRSA-N 0 0 324.380 3.164 20 10 DGCDRN Cc1nc(CC(C)C)oc1C(=O)NCc1cc(C)ccc1O ZINC000862757507 621613634 /nfs/dbraw/zinc/61/36/34/621613634.db2.gz WRWLCXISELOPCL-UHFFFAOYSA-N 0 0 302.374 3.126 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CCc2ncc(C(C)(C)C)o2)c1 ZINC000862757162 621613719 /nfs/dbraw/zinc/61/37/19/621613719.db2.gz JOZMIJGHBLLPFU-UHFFFAOYSA-N 0 0 316.401 3.235 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccc3c(c2)C(C)(C)CO3)c1 ZINC000862755860 621613832 /nfs/dbraw/zinc/61/38/32/621613832.db2.gz LOHBAVSXNBVYLL-UHFFFAOYSA-N 0 0 311.381 3.301 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CCOc2cc(C)cc(C)c2)c1 ZINC000862759677 621614280 /nfs/dbraw/zinc/61/42/80/621614280.db2.gz JBXHJIDNYIMUDE-UHFFFAOYSA-N 0 0 313.397 3.403 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)c1 ZINC000862759484 621614294 /nfs/dbraw/zinc/61/42/94/621614294.db2.gz DUYSLOHFXVBEOE-KGLIPLIRSA-N 0 0 317.335 3.399 20 10 DGCDRN Cc1c(C(=O)NCc2cc(C)ccc2O)oc2c1C(=O)CCC2 ZINC000862759171 621614317 /nfs/dbraw/zinc/61/43/17/621614317.db2.gz AIUFWURKBILAKH-UHFFFAOYSA-N 0 0 313.353 3.051 20 10 DGCDRN CC[C@H](Oc1ccccc1F)C(=O)NCc1cc(C)ccc1O ZINC000862758151 621614391 /nfs/dbraw/zinc/61/43/91/621614391.db2.gz QJDQTNHPHOGREB-INIZCTEOSA-N 0 0 317.360 3.314 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)C(C)(C)c2cccc(F)c2)c1 ZINC000862759883 621614705 /nfs/dbraw/zinc/61/47/05/621614705.db2.gz JVBDKBAGPKOOIT-UHFFFAOYSA-N 0 0 301.361 3.434 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CC1(C)COC1 ZINC000862762303 621614813 /nfs/dbraw/zinc/61/48/13/621614813.db2.gz ZZXSXJXDCYNCBV-UHFFFAOYSA-N 0 0 318.442 3.264 20 10 DGCDRN COC(=O)[C@H](CC1CCCCC1)NCc1ccc2c(c1)CCO2 ZINC000756147765 621618771 /nfs/dbraw/zinc/61/87/71/621618771.db2.gz URHYSIACUYTXQB-KRWDZBQOSA-N 0 0 317.429 3.223 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(C2)CCCO3)cc1 ZINC000862821700 621620446 /nfs/dbraw/zinc/62/04/46/621620446.db2.gz YMLLLNSQAZKNER-UHFFFAOYSA-N 0 0 310.397 3.099 20 10 DGCDRN CC(C)CCO[C@H]1CC[C@H](NC(=O)c2cccc(O)c2O)CC1 ZINC000862897634 621625766 /nfs/dbraw/zinc/62/57/66/621625766.db2.gz ACQXMHSLPKZWIF-HDJSIYSDSA-N 0 0 321.417 3.202 20 10 DGCDRN CN(C)c1ccc(C[NH2+]C[C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000756311974 621627210 /nfs/dbraw/zinc/62/72/10/621627210.db2.gz YPSGYEDQLHCSDB-QGZVFWFLSA-N 0 0 312.413 3.101 20 10 DGCDRN CCC(F)(F)C(C)(C)CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000862945124 621628193 /nfs/dbraw/zinc/62/81/93/621628193.db2.gz LJLNGDXBJZMFTC-VURMDHGXSA-N 0 0 313.344 3.299 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCc2ccc(F)cc2)c1 ZINC000756340541 621629196 /nfs/dbraw/zinc/62/91/96/621629196.db2.gz IXCXGZAWAGHKFE-GFCCVEGCSA-N 0 0 317.360 3.211 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1cc(F)cc(F)c1[O-] ZINC000756344181 621629551 /nfs/dbraw/zinc/62/95/51/621629551.db2.gz RPRBBTGQZMJEMQ-VIFPVBQESA-N 0 0 307.296 3.250 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCc2ccccc2)c1 ZINC000756344420 621629600 /nfs/dbraw/zinc/62/96/00/621629600.db2.gz QSRVBMALHUEWRI-CQSZACIVSA-N 0 0 313.397 3.462 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(F)c(C)c2)c1 ZINC000756367171 621631848 /nfs/dbraw/zinc/63/18/48/621631848.db2.gz XFUMYAFHNZTNKU-LBPRGKRZSA-N 0 0 317.360 3.477 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@H](CC(=O)[O-])C2CC2)cc1F ZINC000756387681 621634467 /nfs/dbraw/zinc/63/44/67/621634467.db2.gz LMAWZSREYGQOJN-OAHLLOKOSA-N 0 0 308.397 3.015 20 10 DGCDRN C[C@H]([NH2+]CCCOCC(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000756399716 621635496 /nfs/dbraw/zinc/63/54/96/621635496.db2.gz FTPAFBCNYSOAHY-QMMMGPOBSA-N 0 0 313.266 3.290 20 10 DGCDRN COc1cccc(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])c1OC ZINC000756422923 621637698 /nfs/dbraw/zinc/63/76/98/621637698.db2.gz OGPWXAVQUQWWOJ-GFCCVEGCSA-N 0 0 319.376 3.442 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1COc2ccccc2C1)c1cc(F)cc(F)c1[O-] ZINC000756494844 621642108 /nfs/dbraw/zinc/64/21/08/621642108.db2.gz OLZTTZMUSCQSBH-MFKMUULPSA-N 0 0 305.324 3.325 20 10 DGCDRN O=C(/C=C/c1cccnc1)N1CCCc2c(F)ccc(F)c21 ZINC000119302934 621643197 /nfs/dbraw/zinc/64/31/97/621643197.db2.gz YUMMMDABFLLSQI-VMPITWQZSA-N 0 0 300.308 3.352 20 10 DGCDRN Cc1cc(CNC(=O)[C@@H]2CCC(=O)C2)c(C)n1-c1cccc(C)c1 ZINC000863160150 621643769 /nfs/dbraw/zinc/64/37/69/621643769.db2.gz SHPPAQLXAKIROT-MRXNPFEDSA-N 0 0 324.424 3.388 20 10 DGCDRN Cc1cc(CNC(=O)CCc2c[nH]cn2)c(C)n1-c1ccccc1 ZINC000863164383 621643991 /nfs/dbraw/zinc/64/39/91/621643991.db2.gz IHNDQYQCXBLHSL-UHFFFAOYSA-N 0 0 322.412 3.066 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cc(F)cc(F)c1[O-] ZINC000756514032 621644055 /nfs/dbraw/zinc/64/40/55/621644055.db2.gz CXPNFRYVORKIHS-JTQLQIEISA-N 0 0 305.324 3.456 20 10 DGCDRN CC[C@@H](OC)C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000863165185 621644496 /nfs/dbraw/zinc/64/44/96/621644496.db2.gz MOJISLXNMQDGSX-QGZVFWFLSA-N 0 0 300.402 3.135 20 10 DGCDRN CSCCC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000863168277 621644699 /nfs/dbraw/zinc/64/46/99/621644699.db2.gz YCGBNGSDMAJBSA-UHFFFAOYSA-N 0 0 302.443 3.463 20 10 DGCDRN Cc1cc(CNC(=O)[C@]2(C)CCOC2)c(C)n1-c1ccccc1 ZINC000863165936 621644765 /nfs/dbraw/zinc/64/47/65/621644765.db2.gz QCIRYIAFNOLFCS-LJQANCHMSA-N 0 0 312.413 3.137 20 10 DGCDRN C[C@@H]([NH2+]C[C@@]1(O)CCCc2ccccc21)c1ccc(F)cc1[O-] ZINC000756561749 621649186 /nfs/dbraw/zinc/64/91/86/621649186.db2.gz HQGDEZHMVSVLLW-YJYMSZOUSA-N 0 0 315.388 3.406 20 10 DGCDRN CC[S@](=O)CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756576156 621650541 /nfs/dbraw/zinc/65/05/41/621650541.db2.gz LFXBDDZPKPAUMX-CVJBHZAOSA-N 0 0 310.246 3.118 20 10 DGCDRN CCC[C@H](O)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756578003 621650650 /nfs/dbraw/zinc/65/06/50/621650650.db2.gz UQHLDGIBLCRITA-IUCAKERBSA-N 0 0 320.202 3.105 20 10 DGCDRN Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000756585314 621651269 /nfs/dbraw/zinc/65/12/69/621651269.db2.gz JNPLAAWIJWQUGM-BMIGLBTASA-N 0 0 301.365 3.358 20 10 DGCDRN CCCC(O)(CCC)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756592273 621651859 /nfs/dbraw/zinc/65/18/59/621651859.db2.gz GWEMOBAKMCVUAM-LBPRGKRZSA-N 0 0 310.394 3.282 20 10 DGCDRN C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756605840 621652016 /nfs/dbraw/zinc/65/20/16/621652016.db2.gz VAHKIWAANGZFDE-MEDUHNTESA-N 0 0 307.340 3.445 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@](C)(O)CCC(C)C)c1 ZINC000756601839 621652086 /nfs/dbraw/zinc/65/20/86/621652086.db2.gz BKEBAQVEWHUBEJ-SCLBCKFNSA-N 0 0 323.433 3.017 20 10 DGCDRN CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756604172 621652255 /nfs/dbraw/zinc/65/22/55/621652255.db2.gz MEGVKTDWLNXGEI-LRDDRELGSA-N 0 0 310.394 3.138 20 10 DGCDRN Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756615982 621653268 /nfs/dbraw/zinc/65/32/68/621653268.db2.gz YABBQIFONDJEIR-UWVGGRQHSA-N 0 0 323.387 3.303 20 10 DGCDRN CO[C@]1(C)C[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1(C)C ZINC000756627239 621653651 /nfs/dbraw/zinc/65/36/51/621653651.db2.gz SOEQTHSPLQIKAB-JMPLFQLZSA-N 0 0 308.378 3.155 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756633239 621654758 /nfs/dbraw/zinc/65/47/58/621654758.db2.gz GUYPLBAMPLLNGJ-VXGBXAGGSA-N 0 0 301.346 3.150 20 10 DGCDRN COC1CCC(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000756643589 621655532 /nfs/dbraw/zinc/65/55/32/621655532.db2.gz WCTFVWDAROVQMI-DCBWTQNWSA-N 0 0 308.378 3.156 20 10 DGCDRN C[C@H]([NH2+][C@@H](CCO)C1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756660179 621657119 /nfs/dbraw/zinc/65/71/19/621657119.db2.gz KJIGIIVNAKOEEU-LRDDRELGSA-N 0 0 322.405 3.282 20 10 DGCDRN C[C@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1cc(F)cc(F)c1[O-] ZINC000756713036 621659932 /nfs/dbraw/zinc/65/99/32/621659932.db2.gz SNGYICKWAUVLAZ-VFZGTOFNSA-N 0 0 311.303 3.194 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2(C3CC3)CCC2)c1 ZINC000756767937 621663326 /nfs/dbraw/zinc/66/33/26/621663326.db2.gz HGAORPGAMNUUPY-GFCCVEGCSA-N 0 0 303.402 3.410 20 10 DGCDRN COc1ccc(N2CCN(c3nc(C)c(C)s3)CC2)cc1F ZINC000756970362 621676842 /nfs/dbraw/zinc/67/68/42/621676842.db2.gz KBRXVWPGCXJSRU-UHFFFAOYSA-N 0 0 321.421 3.234 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2C[C@@H]3CCCC[C@@]32C)cc1 ZINC000863517279 621679584 /nfs/dbraw/zinc/67/95/84/621679584.db2.gz BRRVNTDAMZDBEA-YJBOKZPZSA-N 0 0 301.434 3.227 20 10 DGCDRN Cc1cc(CN2C(=O)[C@@H]3CCCN3C2=O)c(C)n1-c1ccccc1 ZINC000863532643 621681137 /nfs/dbraw/zinc/68/11/37/621681137.db2.gz LFBPHUVCYRMVMG-KRWDZBQOSA-N 0 0 323.396 3.021 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NCC23CCC(CC2)C3)cc1 ZINC000757054190 621682860 /nfs/dbraw/zinc/68/28/60/621682860.db2.gz UYDSZQSEIHSJQJ-UHFFFAOYSA-N 0 0 315.461 3.474 20 10 DGCDRN CC(C)Oc1ccc(N(C)Cc2ccc(S(C)(=O)=O)o2)cc1 ZINC000839579804 621696407 /nfs/dbraw/zinc/69/64/07/621696407.db2.gz JPKZSLMBQPEDSJ-UHFFFAOYSA-N 0 0 323.414 3.107 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccnc2Cl)c1 ZINC000103503261 621697093 /nfs/dbraw/zinc/69/70/93/621697093.db2.gz HJTUVLWGBURBSS-SECBINFHSA-N 0 0 321.764 3.332 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccnn2C(C)C)c1 ZINC000103503224 621697306 /nfs/dbraw/zinc/69/73/06/621697306.db2.gz LSHFHLOVSQOGKT-NSHDSACASA-N 0 0 318.377 3.061 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCCC[C@@H]2C)c1 ZINC000103506188 621697844 /nfs/dbraw/zinc/69/78/44/621697844.db2.gz HZJBEQANPNSTMK-HUBLWGQQSA-N 0 0 306.406 3.340 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2cccc(C)c2)c1 ZINC000103507810 621697939 /nfs/dbraw/zinc/69/79/39/621697939.db2.gz UFEWCBCAZRBYOU-CYBMUJFWSA-N 0 0 314.385 3.270 20 10 DGCDRN COc1cccc(CNc2ccc(F)c(NC(C)=O)c2)c1O ZINC000119596074 621700265 /nfs/dbraw/zinc/70/02/65/621700265.db2.gz LJNMFSYOCCQUAI-UHFFFAOYSA-N 0 0 304.321 3.110 20 10 DGCDRN Cc1cc(NC(=O)NCc2ccc(N3CC=CC3)cc2)ccn1 ZINC000119614484 621706634 /nfs/dbraw/zinc/70/66/34/621706634.db2.gz SVZWKJQLYRCLSO-UHFFFAOYSA-N 0 0 308.385 3.088 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Cc2cccc(Cl)c2)c1 ZINC000103528479 621711648 /nfs/dbraw/zinc/71/16/48/621711648.db2.gz DWIYMRRHKVACNW-LLVKDONJSA-N 0 0 319.788 3.474 20 10 DGCDRN Cc1nc(C)c(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)[nH]1 ZINC000863941739 621720505 /nfs/dbraw/zinc/72/05/05/621720505.db2.gz JVIZWYVZCPBQTF-UHFFFAOYSA-N 0 0 314.433 3.143 20 10 DGCDRN O=c1[nH]c2ccc(NCc3c(O)ccc(Cl)c3F)cc2[nH]1 ZINC000863989498 621725235 /nfs/dbraw/zinc/72/52/35/621725235.db2.gz RACBJRCKQNJDRA-UHFFFAOYSA-N 0 0 307.712 3.379 20 10 DGCDRN CCc1ccc(CN(C)c2ccc(OCC(=O)OC)cc2)cc1 ZINC000864025935 621728623 /nfs/dbraw/zinc/72/86/23/621728623.db2.gz NCJFEXUJRZYXPL-UHFFFAOYSA-N 0 0 313.397 3.437 20 10 DGCDRN COc1ccc(C[NH+](C)C)cc1NCc1ccc(F)c(F)c1[O-] ZINC000864025631 621728885 /nfs/dbraw/zinc/72/88/85/621728885.db2.gz NCVFYPFTZJLDKO-UHFFFAOYSA-N 0 0 322.355 3.353 20 10 DGCDRN COc1ccc(NCc2cc(OC)c(OC)cc2O)c(F)c1 ZINC000864042902 621730777 /nfs/dbraw/zinc/73/07/77/621730777.db2.gz ZNPWGMAOCOPZMO-UHFFFAOYSA-N 0 0 307.321 3.169 20 10 DGCDRN C[C@@H](CCCC(F)(F)F)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000757647142 621731011 /nfs/dbraw/zinc/73/10/11/621731011.db2.gz OIGNTXBRAPDXGN-STUBTGCMSA-N 0 0 317.307 3.348 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCCCS2)c1 ZINC000757659773 621732174 /nfs/dbraw/zinc/73/21/74/621732174.db2.gz ZJGGVUCOAFGFFP-DGCLKSJQSA-N 0 0 309.431 3.115 20 10 DGCDRN CC(C)OCC[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000757688406 621733801 /nfs/dbraw/zinc/73/38/01/621733801.db2.gz YXTMBSQVQAVVDI-SECBINFHSA-N 0 0 320.202 3.369 20 10 DGCDRN C[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1nccs1 ZINC000757701290 621734491 /nfs/dbraw/zinc/73/44/91/621734491.db2.gz YHVJVTKXBFPCGZ-ZJUUUORDSA-N 0 0 307.375 3.211 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2ccon2)cc1 ZINC000757851587 621743009 /nfs/dbraw/zinc/74/30/09/621743009.db2.gz NYAVTMQFXHCCBU-UHFFFAOYSA-N 0 0 302.378 3.185 20 10 DGCDRN COc1ccc(N(C)CC(=O)N2C[C@H](C)C[C@H](C)C2)cc1Cl ZINC000757857929 621743470 /nfs/dbraw/zinc/74/34/70/621743470.db2.gz TWCNBIWBIAXIMX-BETUJISGSA-N 0 0 324.852 3.289 20 10 DGCDRN O=C([O-])C[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)C1CCCCC1 ZINC000864521300 621778223 /nfs/dbraw/zinc/77/82/23/621778223.db2.gz NVZHCNIEQFBXJP-QGZVFWFLSA-N 0 0 317.429 3.382 20 10 DGCDRN CC(C)(C)c1nnc(CNCc2cc(Cl)ccc2O)s1 ZINC000758488255 621784618 /nfs/dbraw/zinc/78/46/18/621784618.db2.gz MQXBZQXDIADQML-UHFFFAOYSA-N 0 0 311.838 3.484 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N[C@@H]3CC34CCCC4)ccc21 ZINC000758544236 621787501 /nfs/dbraw/zinc/78/75/01/621787501.db2.gz IPPXJAIWUWKIFE-QGZVFWFLSA-N 0 0 313.445 3.201 20 10 DGCDRN Cc1cc(C(=O)NCc2ccno2)c(C)n1-c1ccccc1C ZINC000758538882 621787513 /nfs/dbraw/zinc/78/75/13/621787513.db2.gz UAFYHGZWTRTAFJ-UHFFFAOYSA-N 0 0 309.369 3.321 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N[C@H]3CC34CCCC4)ccc21 ZINC000758544235 621787693 /nfs/dbraw/zinc/78/76/93/621787693.db2.gz IPPXJAIWUWKIFE-KRWDZBQOSA-N 0 0 313.445 3.201 20 10 DGCDRN O=C(OCc1cc(F)cc2cccnc21)c1cccc(O)c1O ZINC000758557489 621789040 /nfs/dbraw/zinc/78/90/40/621789040.db2.gz JDKXCHAZSUQHCR-UHFFFAOYSA-N 0 0 313.284 3.142 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)C[C@H]2Cc3ccccc3O2)cc1 ZINC000864633458 621794513 /nfs/dbraw/zinc/79/45/13/621794513.db2.gz HBIKGIUEHXHPKX-GOSISDBHSA-N 0 0 324.424 3.105 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)C(C)(C)[C@@H]2CCCCO2)cc1 ZINC000864634578 621794590 /nfs/dbraw/zinc/79/45/90/621794590.db2.gz RBJBPQUDAUBDRM-KRWDZBQOSA-N 0 0 318.461 3.306 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2conc2C)cc1 ZINC000864636636 621794724 /nfs/dbraw/zinc/79/47/24/621794724.db2.gz QRDNSNMPYKJNBH-UHFFFAOYSA-N 0 0 301.390 3.101 20 10 DGCDRN COC1CCC(CCNC(=O)N(C)Cc2ccccc2O)CC1 ZINC000758719467 621797926 /nfs/dbraw/zinc/79/79/26/621797926.db2.gz YOVYUPQTZZHOHT-UHFFFAOYSA-N 0 0 320.433 3.129 20 10 DGCDRN Cc1cc(C(=O)N2CCC(F)CC2)c(C)n1-c1ccccn1 ZINC000881609865 625517562 /nfs/dbraw/zinc/51/75/62/625517562.db2.gz KSSNZKBMDDHOBP-UHFFFAOYSA-N 0 0 301.365 3.063 20 10 DGCDRN CCCC1(C(=O)NCc2ccc(N3CCOCC3)cc2)CCC1 ZINC000759164498 621831502 /nfs/dbraw/zinc/83/15/02/621831502.db2.gz ZGRVOFSTYCFKBG-UHFFFAOYSA-N 0 0 316.445 3.110 20 10 DGCDRN Cc1cc(C(=O)N[C@H]2C[C@@H](O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000839791234 621839034 /nfs/dbraw/zinc/83/90/34/621839034.db2.gz DESXRPYGRFBRLU-OTVXOJSOSA-N 0 0 318.804 3.001 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CC23CCCC3)c1 ZINC000759304563 621844559 /nfs/dbraw/zinc/84/45/59/621844559.db2.gz IDLUHWVOQSMWRT-XHDPSFHLSA-N 0 0 304.390 3.094 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(c2ccccn2)CC1 ZINC000865027170 621848146 /nfs/dbraw/zinc/84/81/46/621848146.db2.gz ISTCFNOGOBOWTM-UHFFFAOYSA-N 0 0 323.440 3.228 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C(C)(C)[C@@H]2CCCCO2)cc1F ZINC000865050619 621852555 /nfs/dbraw/zinc/85/25/55/621852555.db2.gz FCSHPBDAGKAGOC-INIZCTEOSA-N 0 0 322.424 3.103 20 10 DGCDRN Cc1ccn(-c2ccccc2NC(=O)NCc2ccccc2O)n1 ZINC000759523354 621867794 /nfs/dbraw/zinc/86/77/94/621867794.db2.gz RMUZQTQGNDLOAF-UHFFFAOYSA-N 0 0 322.368 3.208 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCc1cc(F)ccc1F ZINC000759594910 621874186 /nfs/dbraw/zinc/87/41/86/621874186.db2.gz OLPPYDTUKQJHFS-KXFIGUGUSA-N 0 0 306.264 3.133 20 10 DGCDRN C[C@@H]1CCCC[C@H]1OCCOC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000759789133 621890840 /nfs/dbraw/zinc/89/08/40/621890840.db2.gz QAXJPXXTOPVGTO-XQUSNGRISA-N 0 0 320.385 3.250 20 10 DGCDRN CN(C)c1ccc(CNc2nnc([C@H]3CCCO3)s2)cc1F ZINC000865295700 621892342 /nfs/dbraw/zinc/89/23/42/621892342.db2.gz KPVFKHGGMHMIES-CYBMUJFWSA-N 0 0 322.409 3.207 20 10 DGCDRN COC(C)(C)c1nsc(NCc2cc(C)c(C)cc2O)n1 ZINC000865296317 621892654 /nfs/dbraw/zinc/89/26/54/621892654.db2.gz VMPDYGKLELIDKE-UHFFFAOYSA-N 0 0 307.419 3.354 20 10 DGCDRN COC(C)(C)c1nsc(NCc2ccc(N(C)C)cc2)n1 ZINC000865296283 621892681 /nfs/dbraw/zinc/89/26/81/621892681.db2.gz UCFHCVVFPLXABM-UHFFFAOYSA-N 0 0 306.435 3.098 20 10 DGCDRN Cc1nc(C(=O)NCc2ccccc2O)c(-c2ccccc2)o1 ZINC000759959555 621905560 /nfs/dbraw/zinc/90/55/60/621905560.db2.gz VLUDNSVDHPBCMJ-UHFFFAOYSA-N 0 0 308.337 3.286 20 10 DGCDRN C[C@@H](NC(=O)C1=CC(=O)CS1)c1ccccc1-n1cccn1 ZINC000760150529 621918461 /nfs/dbraw/zinc/91/84/61/621918461.db2.gz UERYQNNMHXKEEA-LLVKDONJSA-N 0 0 313.382 3.130 20 10 DGCDRN COC(=O)C[C@@H](C)OC(=O)c1sccc1-n1c(C)ccc1C ZINC000760318282 621931163 /nfs/dbraw/zinc/93/11/63/621931163.db2.gz KNTXCOFZBSTHME-GFCCVEGCSA-N 0 0 321.398 3.264 20 10 DGCDRN CCC(CC)(CC)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000760434708 621940919 /nfs/dbraw/zinc/94/09/19/621940919.db2.gz ODUNUDCGGASIEJ-UHFFFAOYSA-N 0 0 318.461 3.356 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(Cl)cs1 ZINC000760491789 621944896 /nfs/dbraw/zinc/94/48/96/621944896.db2.gz MZVOLZJYUYDADP-MRVPVSSYSA-N 0 0 311.790 3.174 20 10 DGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]CC[C@@H]2CCSC2)c1[O-] ZINC000865653983 621972227 /nfs/dbraw/zinc/97/22/27/621972227.db2.gz DRPVAZLDVFBMPO-SECBINFHSA-N 0 0 316.810 3.187 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c1 ZINC000865690138 621978315 /nfs/dbraw/zinc/97/83/15/621978315.db2.gz WERYCQCSIZZWTI-OUJBWJOFSA-N 0 0 314.223 3.119 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000865694098 621979095 /nfs/dbraw/zinc/97/90/95/621979095.db2.gz SNTSPPPGRUMIJU-PWMQFFBLSA-N 0 0 314.212 3.212 20 10 DGCDRN O=C(Nc1ccc(Oc2cccnc2)nc1)C1=CC(=O)CS1 ZINC000761039713 621980739 /nfs/dbraw/zinc/98/07/39/621980739.db2.gz YXUKVODXVYSWNM-UHFFFAOYSA-N 0 0 313.338 3.288 20 10 DGCDRN Cn1nc(C[NH2+]Cc2cccc(Cl)c2[O-])c2ccccc21 ZINC000761225593 621995575 /nfs/dbraw/zinc/99/55/75/621995575.db2.gz JUCDJFIJMYOYPZ-UHFFFAOYSA-N 0 0 301.777 3.222 20 10 DGCDRN COc1ccc(CN(C)c2ccc(OC)c(OC)c2)cc1OC ZINC000761222905 621995832 /nfs/dbraw/zinc/99/58/32/621995832.db2.gz YARMHYAWCQJBRA-UHFFFAOYSA-N 0 0 317.385 3.357 20 10 DGCDRN C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)CN(C2CCCC2)C1=O ZINC000761581143 622019027 /nfs/dbraw/zinc/01/90/27/622019027.db2.gz WLNOCIOBNXEPFF-ZDUSSCGKSA-N 0 0 315.417 3.020 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc2ccccn12 ZINC000761751019 622027873 /nfs/dbraw/zinc/02/78/73/622027873.db2.gz DAGHYLAHWUEPHU-UHFFFAOYSA-N 0 0 322.412 3.063 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCSC1 ZINC000761855517 622034076 /nfs/dbraw/zinc/03/40/76/622034076.db2.gz OLDWEQLCEKBRAA-MRXNPFEDSA-N 0 0 318.486 3.388 20 10 DGCDRN O=C(Nc1nc2c(s1)CCCC2)N1Cc2cccc(O)c2C1 ZINC000866100431 622046133 /nfs/dbraw/zinc/04/61/33/622046133.db2.gz VHVJKYIMQVKCNT-UHFFFAOYSA-N 0 0 315.398 3.275 20 10 DGCDRN C[C@@H](NC(=O)C1Cc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000762276120 622067164 /nfs/dbraw/zinc/06/71/64/622067164.db2.gz KJSIKNURAPMADT-CQSZACIVSA-N 0 0 308.425 3.345 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)OCCC(F)(F)F)cc1 ZINC000866418788 622114892 /nfs/dbraw/zinc/11/48/92/622114892.db2.gz UDZKEGJJEHYCQM-UHFFFAOYSA-N 0 0 304.312 3.273 20 10 DGCDRN C[C@@H](C[NH2+][C@H](C)c1ccc(Cl)cc1[O-])CC1(C)OCCO1 ZINC000866427020 622116692 /nfs/dbraw/zinc/11/66/92/622116692.db2.gz GWNDAMQUVFWDAG-VXGBXAGGSA-N 0 0 313.825 3.485 20 10 DGCDRN C[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000866442257 622118621 /nfs/dbraw/zinc/11/86/21/622118621.db2.gz HYGCRZWVGNZEBW-GMSGAONNSA-N 0 0 313.266 3.078 20 10 DGCDRN CC[C@H]([NH2+][C@H](C)[C@H](O)C(F)(F)F)c1cccc(Cl)c1[O-] ZINC000866463950 622122453 /nfs/dbraw/zinc/12/24/53/622122453.db2.gz REZLSYOKJFSGQM-VHRDEZTHSA-N 0 0 311.731 3.398 20 10 DGCDRN Cc1cccc(CO[C@@H](C)C(=O)N(C)Cc2ccccc2O)c1 ZINC000866596929 622144102 /nfs/dbraw/zinc/14/41/02/622144102.db2.gz KTFKDXACIAAIGG-HNNXBMFYSA-N 0 0 313.397 3.264 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(C)cnc1F ZINC000866598782 622144488 /nfs/dbraw/zinc/14/44/88/622144488.db2.gz PUHHXXPWDKIJCX-UHFFFAOYSA-N 0 0 302.349 3.287 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)C1CC2(CSC2)C1 ZINC000866598882 622144571 /nfs/dbraw/zinc/14/45/71/622144571.db2.gz UHGIAZNNNXNQHU-UHFFFAOYSA-N 0 0 305.443 3.274 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cccc(F)n2)cc1 ZINC000763434677 622145616 /nfs/dbraw/zinc/14/56/16/622145616.db2.gz SJDYIMIMJMIODU-UHFFFAOYSA-N 0 0 315.392 3.339 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C3CC3)C2)cc1 ZINC000763480257 622147443 /nfs/dbraw/zinc/14/74/43/622147443.db2.gz ZZQJJDRYRWVWKJ-QGZVFWFLSA-N 0 0 315.461 3.474 20 10 DGCDRN CN(C)c1ccc(CNC(=O)OCCC(F)(F)F)cc1F ZINC000866673144 622155184 /nfs/dbraw/zinc/15/51/84/622155184.db2.gz WSMHZBODYXLSJA-UHFFFAOYSA-N 0 0 308.275 3.070 20 10 DGCDRN COc1ccc(N(C)CC(=O)Nc2ccc(C)cc2)cc1F ZINC000121834025 622184650 /nfs/dbraw/zinc/18/46/50/622184650.db2.gz NOAOUHZAPNEHPS-UHFFFAOYSA-N 0 0 302.349 3.218 20 10 DGCDRN Cc1ccc(CS(=O)(=O)N[C@H](C)c2ccccc2O)c(F)c1 ZINC000867834497 622187256 /nfs/dbraw/zinc/18/72/56/622187256.db2.gz JZNCASIMBBPJBI-GFCCVEGCSA-N 0 0 323.389 3.020 20 10 DGCDRN COC(=O)c1occc1CN(C)c1ccc(OC)c(Cl)c1 ZINC000121872029 622187962 /nfs/dbraw/zinc/18/79/62/622187962.db2.gz WFTKZWVWALRHBE-UHFFFAOYSA-N 0 0 309.749 3.365 20 10 DGCDRN COc1ccc(N(C)Cc2cn3cccnc3n2)cc1Cl ZINC000121956998 622198788 /nfs/dbraw/zinc/19/87/88/622198788.db2.gz YUWSOQUHYCYDHJ-UHFFFAOYSA-N 0 0 302.765 3.028 20 10 DGCDRN C[C@H](NC(=O)NCC1(c2ccccc2)CC1)c1ccccc1O ZINC000867988163 622200754 /nfs/dbraw/zinc/20/07/54/622200754.db2.gz VBXDQQCQGSLLFX-AWEZNQCLSA-N 0 0 310.397 3.484 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCC(=O)CCC1CCCC1 ZINC000764556886 622202570 /nfs/dbraw/zinc/20/25/70/622202570.db2.gz GXQFJYHMVJJZQQ-YFHOEESVSA-N 0 0 318.369 3.194 20 10 DGCDRN C[C@@H](NC(=O)NCCO[C@@H]1CCCC[C@H]1C)c1ccccc1O ZINC000868103137 622214273 /nfs/dbraw/zinc/21/42/73/622214273.db2.gz GDVYCTFSYRNHCN-CKEIUWERSA-N 0 0 320.433 3.348 20 10 DGCDRN C[C@@H](NC(=O)NCCO[C@H]1CCCC[C@@H]1C)c1ccccc1O ZINC000868103160 622214345 /nfs/dbraw/zinc/21/43/45/622214345.db2.gz GDVYCTFSYRNHCN-VBQJREDUSA-N 0 0 320.433 3.348 20 10 DGCDRN CCN(CC)c1ccc(CN(C)CC(=O)OC(C)(C)C)cc1 ZINC000764821168 622223712 /nfs/dbraw/zinc/22/37/12/622223712.db2.gz XSJRDIUSDMJKOT-UHFFFAOYSA-N 0 0 306.450 3.306 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1C[C@@H]1Cc1ccccc1)c1ccccc1O ZINC000868309316 622232801 /nfs/dbraw/zinc/23/28/01/622232801.db2.gz UBJPAHOYOYCGHS-JLJPHGGASA-N 0 0 310.397 3.384 20 10 DGCDRN C[C@@H](NC(=O)N[C@H]1C[C@@]1(C)c1ccccc1)c1ccccc1O ZINC000868308890 622232952 /nfs/dbraw/zinc/23/29/52/622232952.db2.gz CTNBHDVQZNFSLK-FMEYXAORSA-N 0 0 310.397 3.483 20 10 DGCDRN C[C@@H](NC(=O)N[C@H]1C[C@]1(C)c1ccccc1)c1ccccc1O ZINC000868308895 622233026 /nfs/dbraw/zinc/23/30/26/622233026.db2.gz CTNBHDVQZNFSLK-XVGQJIODSA-N 0 0 310.397 3.483 20 10 DGCDRN Cc1cnc([C@H](C)NC(=O)N[C@@H](C)c2ccccc2O)s1 ZINC000868343319 622236610 /nfs/dbraw/zinc/23/66/10/622236610.db2.gz OWSHNRQQKUMBOS-QWRGUYRKSA-N 0 0 305.403 3.279 20 10 DGCDRN CC(C)[C@H]1OCCC[C@@H]1CNC(=O)N[C@H](C)c1ccccc1O ZINC000868343109 622236692 /nfs/dbraw/zinc/23/66/92/622236692.db2.gz MGXSZSTYAIBCRV-CKEIUWERSA-N 0 0 320.433 3.204 20 10 DGCDRN CC(C)C[C@H](C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000764999639 622238599 /nfs/dbraw/zinc/23/85/99/622238599.db2.gz COQIGAIHKIFTLM-JKSUJKDBSA-N 0 0 318.461 3.383 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCC(=O)C[C@@H]1c1ccccc1 ZINC000868499263 622250790 /nfs/dbraw/zinc/25/07/90/622250790.db2.gz IMIJHTVCWOUHSL-CQSZACIVSA-N 0 0 301.367 3.000 20 10 DGCDRN CC[C@@H](CC(F)(F)F)NC(=O)N[C@H](C)c1ccccc1O ZINC000868501454 622250868 /nfs/dbraw/zinc/25/08/68/622250868.db2.gz KEURRSJFOHLTSR-ZJUUUORDSA-N 0 0 304.312 3.483 20 10 DGCDRN CC[C@H](CC(F)(F)F)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868501453 622250901 /nfs/dbraw/zinc/25/09/01/622250901.db2.gz KEURRSJFOHLTSR-VHSXEESVSA-N 0 0 304.312 3.483 20 10 DGCDRN C[C@H](NC(=O)NCCC[C@@H]1CCCCO1)c1ccccc1O ZINC000868501258 622250969 /nfs/dbraw/zinc/25/09/69/622250969.db2.gz HDGRTJAYSSAPAU-KBPBESRZSA-N 0 0 306.406 3.102 20 10 DGCDRN C[C@H](NC(=O)NCC[C@@H]1CCSC1)c1ccc(N(C)C)cc1 ZINC000868515954 622253095 /nfs/dbraw/zinc/25/30/95/622253095.db2.gz XRFBOJOGRYYZCK-UONOGXRCSA-N 0 0 321.490 3.256 20 10 DGCDRN CC(C)C[C@H]1OCCC[C@@H]1NC(=O)N[C@@H](C)c1ccccc1O ZINC000868516446 622253259 /nfs/dbraw/zinc/25/32/59/622253259.db2.gz IIOXAAYWRDRPBI-JLJPHGGASA-N 0 0 320.433 3.346 20 10 DGCDRN COC1(CNC(=O)N[C@@H](C)c2ccccc2O)CCCCC1 ZINC000868551801 622256842 /nfs/dbraw/zinc/25/68/42/622256842.db2.gz WOOCNBWPMYMJJQ-ZDUSSCGKSA-N 0 0 306.406 3.102 20 10 DGCDRN CC(C)[C@@H]1C[C@H](CNC(=O)N[C@@H](C)c2ccccc2O)CCO1 ZINC000868671734 622271265 /nfs/dbraw/zinc/27/12/65/622271265.db2.gz CMIOCPSQIUXEAU-VBQJREDUSA-N 0 0 320.433 3.204 20 10 DGCDRN CC(C)[C@H]1C[C@H](CNC(=O)N[C@H](C)c2ccccc2O)CCO1 ZINC000868671718 622271321 /nfs/dbraw/zinc/27/13/21/622271321.db2.gz CMIOCPSQIUXEAU-CKEIUWERSA-N 0 0 320.433 3.204 20 10 DGCDRN C[C@H](NC(=O)NCC[C@]1(C)C[C@@]1(F)Cl)c1ccccc1O ZINC000868742852 622279564 /nfs/dbraw/zinc/27/95/64/622279564.db2.gz DSSMXMDXTMCUMU-VQISRLSMSA-N 0 0 314.788 3.457 20 10 DGCDRN CC[C@@H](NC(=O)N[C@H](C)c1ccccc1O)[C@H]1CCCCO1 ZINC000868754258 622281568 /nfs/dbraw/zinc/28/15/68/622281568.db2.gz HLIQCOPCJIGJTJ-XNRPHZJLSA-N 0 0 306.406 3.100 20 10 DGCDRN COc1cccc(CNC(=O)N[C@@H](C)c2ccccc2O)c1C ZINC000868792071 622285972 /nfs/dbraw/zinc/28/59/72/622285972.db2.gz YMUFWATUSLRLNA-ZDUSSCGKSA-N 0 0 314.385 3.270 20 10 DGCDRN Cc1cc(C(=O)N2CC(O)C2)c(C)n1-c1cccc(C(C)C)c1 ZINC000765854490 622291171 /nfs/dbraw/zinc/29/11/71/622291171.db2.gz KVNMGZBAIHHQRK-UHFFFAOYSA-N 0 0 312.413 3.034 20 10 DGCDRN O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)C1=CC(=O)CS1 ZINC000765863887 622291738 /nfs/dbraw/zinc/29/17/38/622291738.db2.gz BUVUNSUOOIBQBH-GXTWGEPZSA-N 0 0 303.383 3.104 20 10 DGCDRN COC(=O)Nc1ccc(NCc2cccc(OC)c2O)cc1 ZINC000122405618 622317253 /nfs/dbraw/zinc/31/72/53/622317253.db2.gz HMCYCSQADWMRHE-UHFFFAOYSA-N 0 0 302.330 3.191 20 10 DGCDRN CCn1cc(C(=O)NCc2cc(Cl)ccc2O)c(C2CC2)n1 ZINC000869146089 622321783 /nfs/dbraw/zinc/32/17/83/622321783.db2.gz FLZJVPTUETWKIF-UHFFFAOYSA-N 0 0 319.792 3.069 20 10 DGCDRN COc1ccc2c(c1)CCCN2CN1C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000766341050 622322825 /nfs/dbraw/zinc/32/28/25/622322825.db2.gz JYRCOOCTGCRGHN-AEFFLSMTSA-N 0 0 314.429 3.196 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cn1cc(C)cnc1=S ZINC000766338546 622322967 /nfs/dbraw/zinc/32/29/67/622322967.db2.gz BBYAURSWHINBMY-UHFFFAOYSA-N 0 0 301.415 3.340 20 10 DGCDRN Oc1cc2c(cc1CN1CCCc3cccc(F)c31)OCO2 ZINC000766343048 622323530 /nfs/dbraw/zinc/32/35/30/622323530.db2.gz XUAWFDWIZDOAIH-UHFFFAOYSA-N 0 0 301.317 3.213 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCOC[C@H]1C ZINC000766392095 622326229 /nfs/dbraw/zinc/32/62/29/622326229.db2.gz GPQYEXOPJCXXMW-CRAIPNDOSA-N 0 0 318.461 3.162 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)CC(F)(F)F)c1 ZINC000766655512 622344782 /nfs/dbraw/zinc/34/47/82/622344782.db2.gz CWGDUCVSNBIKPI-BDAKNGLRSA-N 0 0 320.311 3.102 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(C(C)C)on2)c1 ZINC000122621986 622366489 /nfs/dbraw/zinc/36/64/89/622366489.db2.gz VDINXJSZLYXMLK-JTQLQIEISA-N 0 0 304.346 3.003 20 10 DGCDRN CCCN(CCC)c1ccc(CNCC(F)(F)CO)cc1 ZINC000767195067 622381476 /nfs/dbraw/zinc/38/14/76/622381476.db2.gz VMRANBQZZFUARF-UHFFFAOYSA-N 0 0 300.393 3.030 20 10 DGCDRN Cc1cc(CN(C)Cc2ccc(N3CCCCC3)cc2)nn1C ZINC000767887680 622426085 /nfs/dbraw/zinc/42/60/85/622426085.db2.gz LHPOKLBQRQULFQ-UHFFFAOYSA-N 0 0 312.461 3.351 20 10 DGCDRN Cc1oc2ccccc2c1CNC(=O)NCc1ccccc1O ZINC000767941781 622429688 /nfs/dbraw/zinc/42/96/88/622429688.db2.gz BGXGKBGOJVNBKE-UHFFFAOYSA-N 0 0 310.353 3.446 20 10 DGCDRN Cc1ccsc1CCCC(=O)NCCc1ccc(O)c(O)c1 ZINC000122928784 622432200 /nfs/dbraw/zinc/43/22/00/622432200.db2.gz BMEADJARGUVMGW-UHFFFAOYSA-N 0 0 319.426 3.149 20 10 DGCDRN O=C1N[C@H](c2cc(Cl)cc(F)c2O)Nc2cc(F)ccc21 ZINC000768266626 622447974 /nfs/dbraw/zinc/44/79/74/622447974.db2.gz WZWWOSJNDVNJNU-CYBMUJFWSA-N 0 0 310.687 3.178 20 10 DGCDRN O=C(NCc1ccccc1O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000768286484 622448480 /nfs/dbraw/zinc/44/84/80/622448480.db2.gz LGYLNBYOYBDTIP-VXGBXAGGSA-N 0 0 321.298 3.229 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)c1cccc2ccsc21 ZINC000768286468 622448493 /nfs/dbraw/zinc/44/84/93/622448493.db2.gz KSPRSCBPXHLAQN-UHFFFAOYSA-N 0 0 313.378 3.285 20 10 DGCDRN CCCN(Cc1cc(OC)c(OC)cc1O)CC(F)(F)F ZINC000768439945 622456136 /nfs/dbraw/zinc/45/61/36/622456136.db2.gz QGVBYWVTIFQCFJ-UHFFFAOYSA-N 0 0 307.312 3.184 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCc3cccc(F)c32)cc1 ZINC000768500664 622460545 /nfs/dbraw/zinc/46/05/45/622460545.db2.gz VAAKFINTXSCJQT-UHFFFAOYSA-N 0 0 313.376 3.164 20 10 DGCDRN CCC1(CC)CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCS1 ZINC000768540098 622463298 /nfs/dbraw/zinc/46/32/98/622463298.db2.gz RGHVDVFLPLTVNH-SOFGYWHQSA-N 0 0 321.442 3.245 20 10 DGCDRN COc1ccc(C(=O)NCc2ccccc2O)c(OC(C)C)c1 ZINC000789816961 625568881 /nfs/dbraw/zinc/56/88/81/625568881.db2.gz TUTDILRNJSTTTO-UHFFFAOYSA-N 0 0 315.369 3.118 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000768728210 622472747 /nfs/dbraw/zinc/47/27/47/622472747.db2.gz AWGMDZRKRZYARG-ZDUSSCGKSA-N 0 0 323.801 3.321 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCC(F)(F)c1ccccc1 ZINC000789859946 625572357 /nfs/dbraw/zinc/57/23/57/625572357.db2.gz BSIDGARBQVFJHB-VQHVLOKHSA-N 0 0 319.307 3.019 20 10 DGCDRN CC[C@@H](C(=O)N(C)Cc1ccccc1O)c1c(C)noc1C ZINC000769281460 622513491 /nfs/dbraw/zinc/51/34/91/622513491.db2.gz CWNSPNGJTQKUCX-CQSZACIVSA-N 0 0 302.374 3.149 20 10 DGCDRN CN(C)c1ccc(CN2CCN(c3cccs3)CC2)cc1F ZINC000769504361 622534794 /nfs/dbraw/zinc/53/47/94/622534794.db2.gz UTUHDNGNWQFHIH-UHFFFAOYSA-N 0 0 319.449 3.275 20 10 DGCDRN CCN(CC)c1ccc(CN(C)[C@H](C)C(=O)OC(C)C)cc1 ZINC000769525182 622538040 /nfs/dbraw/zinc/53/80/40/622538040.db2.gz PSCHACSJHDNYEJ-OAHLLOKOSA-N 0 0 306.450 3.305 20 10 DGCDRN C[C@H](N1CCN(Cc2c(O)cccc2Cl)CC1)C(F)(F)F ZINC000769554308 622540210 /nfs/dbraw/zinc/54/02/10/622540210.db2.gz NFVGKFQXTRFWFI-JTQLQIEISA-N 0 0 322.758 3.114 20 10 DGCDRN CC(=O)N1CCc2c1cccc2NCc1cc(F)ccc1O ZINC000769556993 622540700 /nfs/dbraw/zinc/54/07/00/622540700.db2.gz NZZCEIZOOUMYRS-UHFFFAOYSA-N 0 0 300.333 3.052 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cc2ccccn2c1 ZINC000769563258 622541177 /nfs/dbraw/zinc/54/11/77/622541177.db2.gz ZLESHFKKYVVCFQ-UHFFFAOYSA-N 0 0 320.392 3.454 20 10 DGCDRN O=C(NCCCSc1nccs1)[C@H](F)c1ccccc1 ZINC000769581683 622541990 /nfs/dbraw/zinc/54/19/90/622541990.db2.gz YEMSHYGKSRNMDB-GFCCVEGCSA-N 0 0 310.419 3.452 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H](F)c2ccccc2)c1 ZINC000769608291 622543890 /nfs/dbraw/zinc/54/38/90/622543890.db2.gz UVCBMOJVTPYJBQ-MEDUHNTESA-N 0 0 303.333 3.289 20 10 DGCDRN C[C@H](C[C@H](C)[NH2+]Cc1ccccc1O)NC(=O)OC(C)(C)C ZINC000769686882 622549281 /nfs/dbraw/zinc/54/92/81/622549281.db2.gz KFXXZXAAMXTIAA-QWHCGFSZSA-N 0 0 308.422 3.174 20 10 DGCDRN CC(C)(C)c1csc(C(=O)N2Cc3cccc(O)c3C2)n1 ZINC000871199231 622565697 /nfs/dbraw/zinc/56/56/97/622565697.db2.gz OFNYEVNXGGTVGR-UHFFFAOYSA-N 0 0 302.399 3.302 20 10 DGCDRN O=C([C@@H]1C[C@@]12CCc1ccccc12)N1Cc2cccc(O)c2C1 ZINC000871202384 622566416 /nfs/dbraw/zinc/56/64/16/622566416.db2.gz GFQAHPADPZZEBQ-FXAWDEMLSA-N 0 0 305.377 3.139 20 10 DGCDRN CCCOc1cccc(CC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871204005 622567309 /nfs/dbraw/zinc/56/73/09/622567309.db2.gz VRYQKZQWDSKRFL-UHFFFAOYSA-N 0 0 311.381 3.266 20 10 DGCDRN CC[C@@H](Oc1cccc(C)c1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871202645 622567324 /nfs/dbraw/zinc/56/73/24/622567324.db2.gz DEVHFNMEYGWIGE-GOSISDBHSA-N 0 0 311.381 3.400 20 10 DGCDRN C/C=C/COc1cccc(CC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871205577 622567802 /nfs/dbraw/zinc/56/78/02/622567802.db2.gz VLHHSGVSMBKYHQ-NSCUHMNNSA-N 0 0 323.392 3.432 20 10 DGCDRN COc1ccc([C@@H]2C[C@H]2C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871206178 622568213 /nfs/dbraw/zinc/56/82/13/622568213.db2.gz VESWSFOSTCSHSS-JKSUJKDBSA-N 0 0 309.365 3.047 20 10 DGCDRN O=C(N1Cc2cccc(O)c2C1)C12CC(c3ccccc3)(C1)C2 ZINC000871205323 622568276 /nfs/dbraw/zinc/56/82/76/622568276.db2.gz YUVXEQJCTUGDGJ-UHFFFAOYSA-N 0 0 305.377 3.356 20 10 DGCDRN COCCn1c(C)c(C)c2cc(-c3nc(N(C)C)no3)ccc21 ZINC000769862396 622568851 /nfs/dbraw/zinc/56/88/51/622568851.db2.gz YYAMUTMZKAGYNL-UHFFFAOYSA-N 0 0 314.389 3.021 20 10 DGCDRN COc1ccc(-n2c(C)cc(-c3nc(N(C)C)no3)c2C)cc1 ZINC000769866791 622570024 /nfs/dbraw/zinc/57/00/24/622570024.db2.gz QRYITRYBWQOMBU-UHFFFAOYSA-N 0 0 312.373 3.219 20 10 DGCDRN Cc1cc(C(=O)Nc2cn[nH]n2)c(C)n1-c1cc(C)cc(C)c1 ZINC000789927805 625580465 /nfs/dbraw/zinc/58/04/65/625580465.db2.gz HWHSFDPYIPMVEA-UHFFFAOYSA-N 0 0 309.373 3.081 20 10 DGCDRN O=C(/C=C\c1cncc(F)c1)N1CCCc2ccc(F)c(F)c21 ZINC000770383697 622628170 /nfs/dbraw/zinc/62/81/70/622628170.db2.gz JKRJFPMMGJFZJB-UTCJRWHESA-N 0 0 318.298 3.492 20 10 DGCDRN Cc1ccc(C(=O)NC[C@@H](C)Sc2ccccc2)c(O)c1O ZINC000770499917 622639528 /nfs/dbraw/zinc/63/95/28/622639528.db2.gz PUZFOFSEUPUIBS-GFCCVEGCSA-N 0 0 317.410 3.317 20 10 DGCDRN Cc1ccc(C(=O)N(CCC(F)(F)F)CC2CC2)c(O)c1O ZINC000770505913 622640757 /nfs/dbraw/zinc/64/07/57/622640757.db2.gz OACQDNPVXCGNHT-UHFFFAOYSA-N 0 0 317.307 3.211 20 10 DGCDRN CCN1C(=O)/C(=C/c2c(C)nc3sc(C)cn23)SC1=S ZINC000209107641 622644934 /nfs/dbraw/zinc/64/49/34/622644934.db2.gz WXAKIHCIGONIFZ-YHYXMXQVSA-N 0 0 323.468 3.234 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C/c1ccc2nccnc2c1 ZINC000871600892 622645785 /nfs/dbraw/zinc/64/57/85/622645785.db2.gz YPIVZWJJRYQVOZ-RVDMUPIBSA-N 0 0 324.409 3.086 20 10 DGCDRN CCn1nc(CN(C)c2ccc3c(c2)OCO3)c2ccccc21 ZINC000770666545 622658696 /nfs/dbraw/zinc/65/86/96/622658696.db2.gz XPUWBBLJHMHBRN-UHFFFAOYSA-N 0 0 309.369 3.421 20 10 DGCDRN CCC[C@](C)(O)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000770754596 622667043 /nfs/dbraw/zinc/66/70/43/622667043.db2.gz RVCQPPZLALYFPC-SFHVURJKSA-N 0 0 306.450 3.042 20 10 DGCDRN CCc1cncc(C(=O)NCCCSc2nccs2)c1 ZINC000789945250 625585610 /nfs/dbraw/zinc/58/56/10/625585610.db2.gz FJRKGIKBPDVBBV-UHFFFAOYSA-N 0 0 307.444 3.013 20 10 DGCDRN COc1ccc(N2CCN([C@H](C)c3ncc(C)o3)CC2)cc1F ZINC000771447904 622760675 /nfs/dbraw/zinc/76/06/75/622760675.db2.gz OUDGWIGETHMFLM-CYBMUJFWSA-N 0 0 319.380 3.014 20 10 DGCDRN COC(=O)[C@@H](c1ccccc1)N(C)Cc1ccc(N(C)C)cc1 ZINC000771524192 622771891 /nfs/dbraw/zinc/77/18/91/622771891.db2.gz DWMHMFOBPNLRLB-GOSISDBHSA-N 0 0 312.413 3.099 20 10 DGCDRN C/C=C\C[C@H](CO)NC(=O)c1sccc1-n1c(C)ccc1C ZINC000771620714 622781323 /nfs/dbraw/zinc/78/13/23/622781323.db2.gz NBSLHLYYWYKLTE-ZRUQZJFASA-N 0 0 318.442 3.213 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C(C)=O)o1 ZINC000772153302 622857971 /nfs/dbraw/zinc/85/79/71/622857971.db2.gz WFNZNXCPJBKIBL-UHFFFAOYSA-N 0 0 314.385 3.211 20 10 DGCDRN Cc1cccn2cc(CNCc3c(O)cccc3Cl)nc12 ZINC000124002563 622870926 /nfs/dbraw/zinc/87/09/26/622870926.db2.gz NSAFIOXYBFQDLF-UHFFFAOYSA-N 0 0 301.777 3.292 20 10 DGCDRN CC(=O)CCCC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000772520049 622907913 /nfs/dbraw/zinc/90/79/13/622907913.db2.gz VSSJEKHPWRFWLP-UHFFFAOYSA-N 0 0 302.418 3.052 20 10 DGCDRN CCCOc1ccc2c(c1)CCN(C(=O)C1=CC(=O)CS1)C2 ZINC000772564120 622912489 /nfs/dbraw/zinc/91/24/89/622912489.db2.gz LHRJCGPFMBETQW-UHFFFAOYSA-N 0 0 317.410 3.441 20 10 DGCDRN COCCOc1ccc(CN2CCc3cc(OC)ccc32)cc1 ZINC000772600158 622916757 /nfs/dbraw/zinc/91/67/57/622916757.db2.gz VHLHCQQBSNJXKY-UHFFFAOYSA-N 0 0 313.397 3.283 20 10 DGCDRN Cc1n[nH]c(C)c1[C@@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000772997352 622963009 /nfs/dbraw/zinc/96/30/09/622963009.db2.gz HFUURJSFCOSREN-VXGBXAGGSA-N 0 0 314.433 3.073 20 10 DGCDRN COCc1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000772998252 622963072 /nfs/dbraw/zinc/96/30/72/622963072.db2.gz XGLQDKFHMHDHID-AWEZNQCLSA-N 0 0 312.413 3.390 20 10 DGCDRN C[C@@H](NC(=O)c1c(O)cccc1F)c1ccc(N(C)C)cc1 ZINC000772997666 622963079 /nfs/dbraw/zinc/96/30/79/622963079.db2.gz VFZOZLVOYMWGSL-LLVKDONJSA-N 0 0 302.349 3.088 20 10 DGCDRN Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000772997350 622963351 /nfs/dbraw/zinc/96/33/51/622963351.db2.gz HFUURJSFCOSREN-NWDGAFQWSA-N 0 0 314.433 3.073 20 10 DGCDRN CC(C)Cn1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000773000855 622964350 /nfs/dbraw/zinc/96/43/50/622964350.db2.gz QCHYWSPLDQHYBR-AWEZNQCLSA-N 0 0 314.433 3.096 20 10 DGCDRN CCn1nc(C)c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1C ZINC000773007407 622965113 /nfs/dbraw/zinc/96/51/13/622965113.db2.gz IOCJFKXOMLHJLO-LBPRGKRZSA-N 0 0 314.433 3.077 20 10 DGCDRN C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 ZINC000773010989 622965935 /nfs/dbraw/zinc/96/59/35/622965935.db2.gz VGAPTIDUWBYDIB-JTQLQIEISA-N 0 0 319.386 3.213 20 10 DGCDRN Cc1noc(C)c1[C@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773014285 622966985 /nfs/dbraw/zinc/96/69/85/622966985.db2.gz LGCMGAMWDBDHED-RYUDHWBXSA-N 0 0 315.417 3.338 20 10 DGCDRN C[C@H](NC(=O)[C@@H]1COc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000773013289 622966989 /nfs/dbraw/zinc/96/69/89/622966989.db2.gz KANPXLUUIUDCHJ-YOEHRIQHSA-N 0 0 324.424 3.181 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(Cl)cn1)c1ccc(N(C)C)cc1 ZINC000773013334 622967026 /nfs/dbraw/zinc/96/70/26/622967026.db2.gz DHWZKPPDSPEIHQ-LLVKDONJSA-N 0 0 303.793 3.292 20 10 DGCDRN CC(C)c1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n(C)n1 ZINC000773015986 622968023 /nfs/dbraw/zinc/96/80/23/622968023.db2.gz RSDLHWHPCHMXON-ZDUSSCGKSA-N 0 0 314.433 3.101 20 10 DGCDRN COCc1cccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773018200 622968438 /nfs/dbraw/zinc/96/84/38/622968438.db2.gz IFRBBSLEDYZPQL-AWEZNQCLSA-N 0 0 312.413 3.390 20 10 DGCDRN C[C@H](NC(=O)CC1CCSCC1)c1ccc(N(C)C)cc1 ZINC000773024683 622969695 /nfs/dbraw/zinc/96/96/95/622969695.db2.gz NDQJBKOFEZGDES-ZDUSSCGKSA-N 0 0 306.475 3.463 20 10 DGCDRN C[C@H](NC(=O)NCCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000773115493 622986461 /nfs/dbraw/zinc/98/64/61/622986461.db2.gz ZGDOUHMMFMTXII-HNNXBMFYSA-N 0 0 311.429 3.356 20 10 DGCDRN C[C@H](NC(=O)NCc1ccccc1F)c1ccc(N(C)C)cc1 ZINC000773115021 622986616 /nfs/dbraw/zinc/98/66/16/622986616.db2.gz WTKQLMKTPNRMLZ-ZDUSSCGKSA-N 0 0 315.392 3.452 20 10 DGCDRN CC(C)COCCCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773147275 622991569 /nfs/dbraw/zinc/99/15/69/622991569.db2.gz FCWKOZUSRQRFKB-OAHLLOKOSA-N 0 0 321.465 3.176 20 10 DGCDRN C[C@H](NC(=O)NCc1ccsc1)c1ccc(N(C)C)cc1 ZINC000773185140 622997056 /nfs/dbraw/zinc/99/70/56/622997056.db2.gz NCEBCWJWHCEEDK-LBPRGKRZSA-N 0 0 303.431 3.375 20 10 DGCDRN C[C@H](NC(=O)NCCc1ccsc1)c1ccc(N(C)C)cc1 ZINC000773188901 622997393 /nfs/dbraw/zinc/99/73/93/622997393.db2.gz UBMRDUIDTCUUEQ-ZDUSSCGKSA-N 0 0 317.458 3.417 20 10 DGCDRN COc1ncc(/C=C/C(=O)N2C[C@H](C(C)C)c3ccccc32)cn1 ZINC000773328999 623013792 /nfs/dbraw/zinc/01/37/92/623013792.db2.gz YDZNADYVFDZHKN-ROJDOSBLSA-N 0 0 323.396 3.285 20 10 DGCDRN CC[C@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)[C@H]1CCCO1 ZINC000773413240 623024066 /nfs/dbraw/zinc/02/40/66/623024066.db2.gz GLMYPWLZZDWQQZ-XOKHGSTOSA-N 0 0 319.449 3.070 20 10 DGCDRN Cc1cncc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773421699 623025048 /nfs/dbraw/zinc/02/50/48/623025048.db2.gz BTAVCXBTNCWBAH-CQSZACIVSA-N 0 0 312.417 3.016 20 10 DGCDRN C[C@H](NC(=O)N1CCSC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000773610933 623050747 /nfs/dbraw/zinc/05/07/47/623050747.db2.gz MXISHXVESCQYCF-ZDUSSCGKSA-N 0 0 321.490 3.351 20 10 DGCDRN C[C@@H](NC(=O)N(C)C[C@H]1CCCCO1)c1ccc(N(C)C)cc1 ZINC000773622695 623052425 /nfs/dbraw/zinc/05/24/25/623052425.db2.gz RWOCTDWUXQOEOH-RHSMWYFYSA-N 0 0 319.449 3.024 20 10 DGCDRN C[C@@H](NC(=O)N1CCOC(C)(C)[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000773626313 623053417 /nfs/dbraw/zinc/05/34/17/623053417.db2.gz SPVPQPWEBKNPFY-KGLIPLIRSA-N 0 0 319.449 3.023 20 10 DGCDRN Cc1ccc(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1C ZINC000773739446 623065427 /nfs/dbraw/zinc/06/54/27/623065427.db2.gz CCMKFJJQZNOOSE-CQSZACIVSA-N 0 0 313.397 3.005 20 10 DGCDRN CCN(C)c1ccc(CN2C[C@@H](C)O[C@@H](C(F)(F)F)C2)cc1 ZINC000773753240 623066993 /nfs/dbraw/zinc/06/69/93/623066993.db2.gz DWACBFAVOSYZIA-IUODEOHRSA-N 0 0 316.367 3.294 20 10 DGCDRN CCN(C)c1ccc(CN2C[C@@H](C)O[C@H](C(F)(F)F)C2)cc1 ZINC000773753235 623067084 /nfs/dbraw/zinc/06/70/84/623067084.db2.gz DWACBFAVOSYZIA-DOMZBBRYSA-N 0 0 316.367 3.294 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2ccsc2[nH]1 ZINC000773749524 623067655 /nfs/dbraw/zinc/06/76/55/623067655.db2.gz ALARYRKPVSWMMP-VIFPVBQESA-N 0 0 316.382 3.002 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc2cccnc21 ZINC000773763667 623069511 /nfs/dbraw/zinc/06/95/11/623069511.db2.gz XRMXMVISFPOUHW-LBPRGKRZSA-N 0 0 322.364 3.007 20 10 DGCDRN Cc1cncc(/C=C\C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)c1 ZINC000773990116 623096564 /nfs/dbraw/zinc/09/65/64/623096564.db2.gz CAHRNKUGNIDKKI-ARJAWSKDSA-N 0 0 323.352 3.209 20 10 DGCDRN CCC(C)(C)NC(=S)NCc1c(O)ccc2c1CCCC2 ZINC000774181550 623116603 /nfs/dbraw/zinc/11/66/03/623116603.db2.gz FXUMCQQFKTYWGZ-UHFFFAOYSA-N 0 0 306.475 3.424 20 10 DGCDRN Cc1cc(Br)cc(CN2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000124497607 623126269 /nfs/dbraw/zinc/12/62/69/623126269.db2.gz DAEITPCETJIOSP-PHIMTYICSA-N 0 0 314.223 3.072 20 10 DGCDRN C[C@H]([NH2+]CCc1ccn(C)n1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774354605 623135554 /nfs/dbraw/zinc/13/55/54/623135554.db2.gz AEVDJYWWEMKLNW-VIFPVBQESA-N 0 0 314.216 3.326 20 10 DGCDRN Cc1cc(N[C@@H](C)c2ccc(F)cc2O)cc(OCCO)c1 ZINC000774508617 623153456 /nfs/dbraw/zinc/15/34/56/623153456.db2.gz KSONSQSLTWJCPH-LBPRGKRZSA-N 0 0 305.349 3.384 20 10 DGCDRN CCCCN1CC(=O)N[C@@H]1c1cc(Cl)c2ccccc2c1O ZINC000774546960 623159976 /nfs/dbraw/zinc/15/99/76/623159976.db2.gz JTJCAICZFLYIED-KRWDZBQOSA-N 0 0 318.804 3.429 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CCCC[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000774885998 623204968 /nfs/dbraw/zinc/20/49/68/623204968.db2.gz UNKWFFDMZBNGBN-ZDUSSCGKSA-N 0 0 308.378 3.320 20 10 DGCDRN CC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000774904087 623206449 /nfs/dbraw/zinc/20/64/49/623206449.db2.gz BUNPRTZHYYVTBD-LBPRGKRZSA-N 0 0 308.378 3.321 20 10 DGCDRN COc1c(O)c(CNc2cc(C)cc(F)c2)ccc1[N+](=O)[O-] ZINC000774937272 623209626 /nfs/dbraw/zinc/20/96/26/623209626.db2.gz WYBSOQCWCSRTGD-UHFFFAOYSA-N 0 0 306.293 3.369 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774942246 623210158 /nfs/dbraw/zinc/21/01/58/623210158.db2.gz JQIYAZAPKKPDJC-GMXVVIOVSA-N 0 0 308.378 3.223 20 10 DGCDRN Cc1cc(NCc2c(O)cccc2Cl)cc(OCCO)c1 ZINC000775034531 623219097 /nfs/dbraw/zinc/21/90/97/623219097.db2.gz UKNPQJXNUFYOPZ-UHFFFAOYSA-N 0 0 307.777 3.337 20 10 DGCDRN COc1ccc(N(CCC2OCCO2)Cc2ccccc2)cc1 ZINC000124756400 623223622 /nfs/dbraw/zinc/22/36/22/623223622.db2.gz VFCBKUDZECZDCG-UHFFFAOYSA-N 0 0 313.397 3.465 20 10 DGCDRN C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000873961980 623224241 /nfs/dbraw/zinc/22/42/41/623224241.db2.gz JJJRIKHTPWRXPC-FZMZJTMJSA-N 0 0 302.378 3.500 20 10 DGCDRN CCCN(CCC)c1ccc(C[NH2+][C@H]2C[C@@H](C(=O)[O-])C2)cc1 ZINC000874047744 623233964 /nfs/dbraw/zinc/23/39/64/623233964.db2.gz ZHHPGTBPFXDLHO-IYBDPMFKSA-N 0 0 304.434 3.266 20 10 DGCDRN CC1(C)CCCN(CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775185745 623239414 /nfs/dbraw/zinc/23/94/14/623239414.db2.gz VQLMIXKTLSXISC-UHFFFAOYSA-N 0 0 314.832 3.396 20 10 DGCDRN Cc1cc(C(=O)NC(C)(C)CO)c(C)n1-c1cccc(Cl)c1 ZINC000124871950 623246305 /nfs/dbraw/zinc/24/63/05/623246305.db2.gz IWRNCTDSNZZKDV-UHFFFAOYSA-N 0 0 320.820 3.248 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H]2C2CCC2)cc1 ZINC000874337972 623261404 /nfs/dbraw/zinc/26/14/04/623261404.db2.gz LWOUBVZOYLCXIW-CQSZACIVSA-N 0 0 300.362 3.254 20 10 DGCDRN C[C@@H](NC(=O)/C=C/c1cncc(F)c1)c1ccc(N(C)C)cc1 ZINC000775402765 623269631 /nfs/dbraw/zinc/26/96/31/623269631.db2.gz CJCJEEPRZJMHRF-QGQQYVBWSA-N 0 0 313.376 3.177 20 10 DGCDRN C[C@@H](NC(=O)/C=C/c1ccc(O)cc1)c1ccc(N(C)C)cc1 ZINC000775402568 623269866 /nfs/dbraw/zinc/26/98/66/623269866.db2.gz HFWAMNOHLBZFON-YGLIYXGISA-N 0 0 310.397 3.349 20 10 DGCDRN CCCc1nc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)co1 ZINC000775412364 623272147 /nfs/dbraw/zinc/27/21/47/623272147.db2.gz XEWUDYUKSYGULV-GFCCVEGCSA-N 0 0 301.390 3.184 20 10 DGCDRN CC[C@@H]([NH2+]Cc1nnc(-c2ccccc2)[n-]1)c1ccccc1O ZINC000775542339 623286907 /nfs/dbraw/zinc/28/69/07/623286907.db2.gz NSNZAYHQDWQQOS-OAHLLOKOSA-N 0 0 308.385 3.418 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2(OC)CCCCC2)c1 ZINC000775563992 623289905 /nfs/dbraw/zinc/28/99/05/623289905.db2.gz XJSRPQUUPJQFPC-ZDUSSCGKSA-N 0 0 321.417 3.179 20 10 DGCDRN CN(Cc1nc2c(s1)CCC2)Cc1ccc(N(C)C)cc1 ZINC000775634919 623300019 /nfs/dbraw/zinc/30/00/19/623300019.db2.gz ZPRUTQQJXXYWJD-UHFFFAOYSA-N 0 0 301.459 3.330 20 10 DGCDRN CCOC(=O)[C@@H]1CCCCN1Cc1cc(Cl)cc(C)c1O ZINC000775643610 623302288 /nfs/dbraw/zinc/30/22/88/623302288.db2.gz SPDZNKPQUQSZBU-AWEZNQCLSA-N 0 0 311.809 3.272 20 10 DGCDRN CC[NH+](CC)[C@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775648096 623303195 /nfs/dbraw/zinc/30/31/95/623303195.db2.gz QPXCCTFCVRRMQJ-ZDUSSCGKSA-N 0 0 300.805 3.101 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000775676950 623312301 /nfs/dbraw/zinc/31/23/01/623312301.db2.gz CPACXBRTYIKKJO-CQSZACIVSA-N 0 0 312.816 3.245 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@H+](CCO)CCc1ccccc1 ZINC000775697055 623315611 /nfs/dbraw/zinc/31/56/11/623315611.db2.gz SVKPALULIXCRPV-UHFFFAOYSA-N 0 0 305.805 3.083 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NCC=C(C)C)cc1F ZINC000790322959 625638239 /nfs/dbraw/zinc/63/82/39/625638239.db2.gz ZUNMHPOWBAYNRX-UHFFFAOYSA-N 0 0 307.413 3.437 20 10 DGCDRN COc1ncc(/C=C\C(=O)N(C)c2ccc3ccccc3c2)cn1 ZINC000775771596 623329631 /nfs/dbraw/zinc/32/96/31/623329631.db2.gz BTDGLEYKILGHAV-YFHOEESVSA-N 0 0 319.364 3.315 20 10 DGCDRN COc1ccc(S[C@@H](C)C(=O)Nc2ccc(N)cc2)cc1 ZINC000020566765 623330046 /nfs/dbraw/zinc/33/00/46/623330046.db2.gz FPYHAWMXSGJJDM-NSHDSACASA-N 0 0 302.399 3.397 20 10 DGCDRN C[C@H](NCc1nnc(-c2ccco2)o1)c1ccc(N(C)C)cc1 ZINC000775832084 623338143 /nfs/dbraw/zinc/33/81/43/623338143.db2.gz XFRZPSLRJIAQJM-LBPRGKRZSA-N 0 0 312.373 3.246 20 10 DGCDRN CCCCc1noc(CN[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775834070 623339401 /nfs/dbraw/zinc/33/94/01/623339401.db2.gz OZGDNIBGGAHSDQ-ZDUSSCGKSA-N 0 0 302.422 3.329 20 10 DGCDRN Cc1cccc2c1N(Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000775970829 623358805 /nfs/dbraw/zinc/35/88/05/623358805.db2.gz GBYRUEZIISDHKM-UHFFFAOYSA-N 0 0 308.425 3.394 20 10 DGCDRN CC(C)(C)[C@@H](NC(=O)NCc1ccccc1O)C(F)(F)F ZINC000775982019 623360210 /nfs/dbraw/zinc/36/02/10/623360210.db2.gz XKCAFBSLLVMCKW-LLVKDONJSA-N 0 0 304.312 3.168 20 10 DGCDRN C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000775987671 623361145 /nfs/dbraw/zinc/36/11/45/623361145.db2.gz VZQRUYNTGBPJGI-NXEZZACHSA-N 0 0 303.233 3.223 20 10 DGCDRN Cc1nc(C2(NCc3cccc(C)c3O)CCCCC2)no1 ZINC000776156512 623384335 /nfs/dbraw/zinc/38/43/35/623384335.db2.gz KZHRFEWVGVQAAP-UHFFFAOYSA-N 0 0 301.390 3.341 20 10 DGCDRN C[C@@H](NC(=O)N1CCCOC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000776237947 623401088 /nfs/dbraw/zinc/40/10/88/623401088.db2.gz KNUCGFGLEDHHKJ-CQSZACIVSA-N 0 0 319.449 3.024 20 10 DGCDRN CCOc1ccc(CN[C@H](C(=O)OC(C)(C)C)C(C)C)c(O)c1 ZINC000776251670 623401574 /nfs/dbraw/zinc/40/15/74/623401574.db2.gz RRCRMPUSEARGHG-INIZCTEOSA-N 0 0 323.433 3.247 20 10 DGCDRN C[C@@H](CCO)C1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCC1 ZINC000776256605 623402426 /nfs/dbraw/zinc/40/24/26/623402426.db2.gz CVRFHIHWMXBKNY-NSHDSACASA-N 0 0 315.816 3.463 20 10 DGCDRN CCC1(O)CCC([NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000776256935 623402593 /nfs/dbraw/zinc/40/25/93/623402593.db2.gz TXZRKUOVMGKOGD-UHFFFAOYSA-N 0 0 301.789 3.358 20 10 DGCDRN Cc1cc(Br)c(O)c(CNc2ccncc2F)c1 ZINC000776265757 623404437 /nfs/dbraw/zinc/40/44/37/623404437.db2.gz PAQJHBMQQLASAY-UHFFFAOYSA-N 0 0 311.154 3.031 20 10 DGCDRN Cc1nc2ccc(NC(=O)c3cccc(O)c3O)cc2s1 ZINC000776326501 623411924 /nfs/dbraw/zinc/41/19/24/623411924.db2.gz INJWCXLDLBZZKU-UHFFFAOYSA-N 0 0 300.339 3.268 20 10 DGCDRN CCc1ccc(CNC(=O)N2Cc3cccc(O)c3C2)s1 ZINC000875094479 623415954 /nfs/dbraw/zinc/41/59/54/623415954.db2.gz UGMKQKKKIUOBLD-UHFFFAOYSA-N 0 0 302.399 3.242 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H](C)Cc1ccc(O)cc1)c1ccccc1O ZINC000875143058 623421225 /nfs/dbraw/zinc/42/12/25/623421225.db2.gz HNRPTCOJEGLQET-QWHCGFSZSA-N 0 0 314.385 3.089 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)N2CCc3ccccc3C2)cc1 ZINC000776422084 623429103 /nfs/dbraw/zinc/42/91/03/623429103.db2.gz DOEIJISIADIWGS-UHFFFAOYSA-N 0 0 323.440 3.363 20 10 DGCDRN O=C(N[C@@H]1CCc2ccc(F)cc21)N1Cc2cccc(O)c2C1 ZINC000875250070 623431047 /nfs/dbraw/zinc/43/10/47/623431047.db2.gz IEQIZQNPXBPGBD-MRXNPFEDSA-N 0 0 312.344 3.244 20 10 DGCDRN Cc1cc(C(=O)NCc2ccccc2O)nn1C1CCCCC1 ZINC000776472837 623433928 /nfs/dbraw/zinc/43/39/28/623433928.db2.gz DUDALOPFBZNGAC-UHFFFAOYSA-N 0 0 313.401 3.332 20 10 DGCDRN C[C@@H]1CC[C@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000776474971 623434078 /nfs/dbraw/zinc/43/40/78/623434078.db2.gz JZALLIBCZKQDHF-VYDXJSESSA-N 0 0 317.429 3.336 20 10 DGCDRN O=C(NCCCSc1nccs1)N[C@H]1CCCC[C@H]1F ZINC000875375029 623443424 /nfs/dbraw/zinc/44/34/24/623443424.db2.gz VIPIPVMDOMLYTC-MNOVXSKESA-N 0 0 317.455 3.205 20 10 DGCDRN O=S(=O)(/C=C/c1ccccc1Cl)Nc1ccc(O)cc1 ZINC000776744162 623458202 /nfs/dbraw/zinc/45/82/02/623458202.db2.gz FKUDKQDTEQDTFK-MDZDMXLPSA-N 0 0 309.774 3.458 20 10 DGCDRN O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)N1Cc2cccc(O)c2C1 ZINC000875542314 623462184 /nfs/dbraw/zinc/46/21/84/623462184.db2.gz JUUOIFMIGDRYCJ-GOEBONIOSA-N 0 0 312.344 3.113 20 10 DGCDRN Cc1ncsc1/C=C/C(=O)N(C)c1ccc(N(C)C)cc1 ZINC000776828668 623469065 /nfs/dbraw/zinc/46/90/65/623469065.db2.gz LLZNVAWCWJUMON-MDZDMXLPSA-N 0 0 301.415 3.194 20 10 DGCDRN O=C(NC[C@H]1CCC[C@@H]1C1CC1)N1Cc2cccc(O)c2C1 ZINC000875666091 623477198 /nfs/dbraw/zinc/47/71/98/623477198.db2.gz VJCKAHDVDLDGQF-UKRRQHHQSA-N 0 0 300.402 3.244 20 10 DGCDRN C[C@@H](NC(=O)N[C@H]1COCc2ccccc21)c1ccccc1O ZINC000875675819 623478678 /nfs/dbraw/zinc/47/86/78/623478678.db2.gz YCVNLMSRGVIDSK-WBMJQRKESA-N 0 0 312.369 3.024 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCc1cccnc1C ZINC000875845013 623499735 /nfs/dbraw/zinc/49/97/35/623499735.db2.gz BHFHWKQJNDZWEY-UHFFFAOYSA-N 0 0 313.401 3.217 20 10 DGCDRN CC(C)(C)CCCCC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000805584711 623516250 /nfs/dbraw/zinc/51/62/50/623516250.db2.gz HGRRUNKHZUDPJH-UHFFFAOYSA-N 0 0 308.374 3.430 20 10 DGCDRN CC(=O)c1ccc(C(=O)N(C)Cc2ccccc2O)c(F)c1 ZINC000777414898 623522416 /nfs/dbraw/zinc/52/24/16/623522416.db2.gz PJBMAFLRFRPLOB-UHFFFAOYSA-N 0 0 301.317 3.006 20 10 DGCDRN Cc1cc(C(=O)N(C)Cc2ccccc2O)nn1[C@H](C)C1CC1 ZINC000777414956 623522531 /nfs/dbraw/zinc/52/25/31/623522531.db2.gz QOEDFRQSBQSGNX-CYBMUJFWSA-N 0 0 313.401 3.140 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccc(C)o1 ZINC000876047992 623533565 /nfs/dbraw/zinc/53/35/65/623533565.db2.gz FCVNLWMOLLUUQO-UHFFFAOYSA-N 0 0 302.374 3.415 20 10 DGCDRN CN(Cc1cc(F)c(F)c(F)c1)C(=O)C1=CC(=O)CS1 ZINC000777534522 623536808 /nfs/dbraw/zinc/53/68/08/623536808.db2.gz QRZCTORUVUKSTH-UHFFFAOYSA-N 0 0 301.289 3.143 20 10 DGCDRN C[C@H](NC(=O)NOC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000777638035 623551094 /nfs/dbraw/zinc/55/10/94/623551094.db2.gz QYLADNQPTYNQPQ-ZDUSSCGKSA-N 0 0 305.422 3.377 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCC(C)(C)C(C)(F)F ZINC000876180927 623558335 /nfs/dbraw/zinc/55/83/35/623558335.db2.gz DEZOAVIHGYIZSS-UHFFFAOYSA-N 0 0 300.349 3.215 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](F)Cc1ccccc1 ZINC000777981603 623594987 /nfs/dbraw/zinc/59/49/87/623594987.db2.gz NXMUNQYRXNQYTA-SFHVURJKSA-N 0 0 314.404 3.258 20 10 DGCDRN CCOC[C@H](C)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000778108012 623612236 /nfs/dbraw/zinc/61/22/36/623612236.db2.gz TVPNBDNYXBIDEP-ZDUSSCGKSA-N 0 0 300.402 3.249 20 10 DGCDRN CC[C@@H](C)CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000790512447 625662887 /nfs/dbraw/zinc/66/28/87/625662887.db2.gz AGVQKYFSVFMZFD-HUUCEWRRSA-N 0 0 304.434 3.137 20 10 DGCDRN Nc1ccc(CCNC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000876528190 623634292 /nfs/dbraw/zinc/63/42/92/623634292.db2.gz RZAGNXSIIHQFAP-MSOLQXFVSA-N 0 0 312.388 3.260 20 10 DGCDRN Cc1occ(C(F)(F)F)c1C(=O)NCCc1ccc(N)cc1 ZINC000876528298 623634375 /nfs/dbraw/zinc/63/43/75/623634375.db2.gz OFGKPNUFGIGGMV-UHFFFAOYSA-N 0 0 312.291 3.162 20 10 DGCDRN CC[C@@H](C)n1nc(C(=O)N(C)Cc2ccccc2O)cc1C ZINC000778324067 623639539 /nfs/dbraw/zinc/63/95/39/623639539.db2.gz BMHRISJJOQUNDB-GFCCVEGCSA-N 0 0 301.390 3.140 20 10 DGCDRN CN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cccc(F)c1O ZINC000778519621 623663868 /nfs/dbraw/zinc/66/38/68/623663868.db2.gz JPLALLVAYOBYLQ-AWEZNQCLSA-N 0 0 306.724 3.381 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C)[C@@H](F)C2)cc1 ZINC000778620175 623677690 /nfs/dbraw/zinc/67/76/90/623677690.db2.gz JCPSHWLOCRADRQ-PBHICJAKSA-N 0 0 321.440 3.422 20 10 DGCDRN [O-]c1c(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)ccc(F)c1F ZINC000876737382 623692384 /nfs/dbraw/zinc/69/23/84/623692384.db2.gz SKYZZMIMPCUHGQ-MRXNPFEDSA-N 0 0 319.351 3.152 20 10 DGCDRN O=C(CCCc1ccc(Cl)cc1)NCc1ccc(O)c(O)c1 ZINC000778924761 623711754 /nfs/dbraw/zinc/71/17/54/623711754.db2.gz ZZGMIXVLWBJFKW-UHFFFAOYSA-N 0 0 319.788 3.390 20 10 DGCDRN Cc1c2cc(F)ccc2oc1C(=O)NCc1ccc(O)c(O)c1 ZINC000778925899 623711889 /nfs/dbraw/zinc/71/18/89/623711889.db2.gz QHVLZHDVHVNEGC-UHFFFAOYSA-N 0 0 315.300 3.222 20 10 DGCDRN C[C@@H](Cc1cccc(Cl)c1)C(=O)NCc1ccc(O)c(O)c1 ZINC000778927068 623712453 /nfs/dbraw/zinc/71/24/53/623712453.db2.gz JQOMVCPZTKIAKL-NSHDSACASA-N 0 0 319.788 3.246 20 10 DGCDRN COCCOc1ccc(F)cc1NCc1ccc(C)cc1O ZINC000876851493 623727879 /nfs/dbraw/zinc/72/78/79/623727879.db2.gz KNSBGKUDTRHJBT-UHFFFAOYSA-N 0 0 305.349 3.477 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)OCc2ccn(C)n2)cc1 ZINC000779141064 623734148 /nfs/dbraw/zinc/73/41/48/623734148.db2.gz GFEOXXVVFJXSSU-UHFFFAOYSA-N 0 0 309.369 3.185 20 10 DGCDRN C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877016799 623766738 /nfs/dbraw/zinc/76/67/38/623766738.db2.gz HSPIOBUBHMVLPM-LLVKDONJSA-N 0 0 307.340 3.487 20 10 DGCDRN Fc1cc(CN2CCc3ccccc32)ccc1N1CCOCC1 ZINC000779431936 623769466 /nfs/dbraw/zinc/76/94/66/623769466.db2.gz UVPSWMPLBVRVHZ-UHFFFAOYSA-N 0 0 312.388 3.225 20 10 DGCDRN C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1c(F)cccc1F ZINC000779501066 623775293 /nfs/dbraw/zinc/77/52/93/623775293.db2.gz UCHQJCZTYVBKPD-BJPMOSCESA-N 0 0 319.307 3.267 20 10 DGCDRN COc1ccc(Cl)c(NC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000779503374 623775828 /nfs/dbraw/zinc/77/58/28/623775828.db2.gz NALKZZIWGFRKLN-CLTKARDFSA-N 0 0 319.744 3.412 20 10 DGCDRN CCN(C(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1OC ZINC000779505857 623776109 /nfs/dbraw/zinc/77/61/09/623776109.db2.gz KPDCVQWPNOXRKR-LUAWRHEFSA-N 0 0 313.353 3.173 20 10 DGCDRN CC(C)[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779514206 623776731 /nfs/dbraw/zinc/77/67/31/623776731.db2.gz ZNIALPRYGZPPTJ-AZHOBDGFSA-N 0 0 303.402 3.442 20 10 DGCDRN Cc1ccc2c(c1)N(C(=O)/C=C/c1ccc(O)c(O)c1)CCC2 ZINC000779515785 623776732 /nfs/dbraw/zinc/77/67/32/623776732.db2.gz BSVPJYBIRGZTSO-RMKNXTFCSA-N 0 0 309.365 3.399 20 10 DGCDRN CCC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccn1 ZINC000779513911 623776851 /nfs/dbraw/zinc/77/68/51/623776851.db2.gz ZFZIZDRYJLEEFK-HQPKTYMTSA-N 0 0 312.369 3.164 20 10 DGCDRN Cc1cccc(CC2CN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)c1 ZINC000779530204 623777614 /nfs/dbraw/zinc/77/76/14/623777614.db2.gz WJWRUYCTPNBISG-SOFGYWHQSA-N 0 0 323.392 3.121 20 10 DGCDRN Cc1cccc([C@@H]2CCCN2C(=O)/C=C\c2ccc(O)c(O)c2)n1 ZINC000779535458 623778010 /nfs/dbraw/zinc/77/80/10/623778010.db2.gz XICUQWNLUJDLSS-YHWKNFMLSA-N 0 0 324.380 3.178 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1scnc1C1CC1 ZINC000779540549 623778301 /nfs/dbraw/zinc/77/83/01/623778301.db2.gz RQBJXWAIKVRRMU-KXFIGUGUSA-N 0 0 302.355 3.084 20 10 DGCDRN Nc1ccc(CC(=O)N2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)cc1 ZINC000877063965 623780761 /nfs/dbraw/zinc/78/07/61/623780761.db2.gz KAXCGKGRVDPHKO-YTQUADARSA-N 0 0 306.409 3.073 20 10 DGCDRN CCCc1c(C(=O)N(C)c2ccc(N)cc2)[nH]c(C)c1C(C)=O ZINC000877078092 623785948 /nfs/dbraw/zinc/78/59/48/623785948.db2.gz CLFINTLEDOCYDB-UHFFFAOYSA-N 0 0 313.401 3.337 20 10 DGCDRN C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N(C)c1ccc(N)cc1 ZINC000877081122 623786422 /nfs/dbraw/zinc/78/64/22/623786422.db2.gz VEIBPNKNLVDRKE-CYBMUJFWSA-N 0 0 310.397 3.188 20 10 DGCDRN C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N(C)c2ccc(N)cc2)c1 ZINC000877080946 623786532 /nfs/dbraw/zinc/78/65/32/623786532.db2.gz SAKTUEGIZICLLN-SJCJKPOMSA-N 0 0 323.396 3.140 20 10 DGCDRN CCC(CC)(CNC(=O)Cc1ccc(N)cc1)C(F)(F)F ZINC000877225274 623830827 /nfs/dbraw/zinc/83/08/27/623830827.db2.gz CVTBRQPHMBJVCX-UHFFFAOYSA-N 0 0 302.340 3.296 20 10 DGCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1=CCC1 ZINC000779925100 623833314 /nfs/dbraw/zinc/83/33/14/623833314.db2.gz JOVDTZHWFYJXGU-UHFFFAOYSA-N 0 0 322.355 3.093 20 10 DGCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1=CCC1 ZINC000779962851 623841336 /nfs/dbraw/zinc/84/13/36/623841336.db2.gz HFIBFQSEIYUHMC-CYBMUJFWSA-N 0 0 322.355 3.093 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1ccc2nccnc2c1 ZINC000877372696 623860538 /nfs/dbraw/zinc/86/05/38/623860538.db2.gz FWBQZWFYSURDJE-UHFFFAOYSA-N 0 0 320.396 3.095 20 10 DGCDRN Cc1ccc(CNc2ccc(C)c(N3CCNC3=O)c2)c(O)c1 ZINC000877483700 623905436 /nfs/dbraw/zinc/90/54/36/623905436.db2.gz PVIWIVNWDYXPFR-UHFFFAOYSA-N 0 0 311.385 3.151 20 10 DGCDRN C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000780296707 623907669 /nfs/dbraw/zinc/90/76/69/623907669.db2.gz CFJIBJHGIJKCFJ-GDBMZVCRSA-N 0 0 301.434 3.275 20 10 DGCDRN C[C@H]1CC[C@@H](NC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000780360689 623916578 /nfs/dbraw/zinc/91/65/78/623916578.db2.gz ZWOTWMDSKQATKA-XJKSGUPXSA-N 0 0 301.434 3.057 20 10 DGCDRN CCCOc1ccc(CN[C@](C)(CCF)C(=O)OC)cc1C ZINC000877632062 623970781 /nfs/dbraw/zinc/97/07/81/623970781.db2.gz PQJWZAVYKKFDER-QGZVFWFLSA-N 0 0 311.397 3.165 20 10 DGCDRN CN(C)c1ccc(CN2Cc3cnn(C)c3C2)c(C(F)(F)F)c1 ZINC000877632629 623970887 /nfs/dbraw/zinc/97/08/87/623970887.db2.gz IAQYIAGFFMJWJD-UHFFFAOYSA-N 0 0 324.350 3.021 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1cnc2nc(C)cc(C)n12 ZINC000780766092 623981614 /nfs/dbraw/zinc/98/16/14/623981614.db2.gz DUINENWTOGGIAV-UHFFFAOYSA-N 0 0 322.412 3.308 20 10 DGCDRN C[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])CC1(C)OCCO1 ZINC000877670441 623985196 /nfs/dbraw/zinc/98/51/96/623985196.db2.gz QCRQPKACOOKGNE-SNVBAGLBSA-N 0 0 317.788 3.064 20 10 DGCDRN Cc1nc2c(s1)[C@H](NC(=O)NCc1ccccc1O)CCC2 ZINC000780829634 623989130 /nfs/dbraw/zinc/98/91/30/623989130.db2.gz ZFWNYMIAQZXRSI-CYBMUJFWSA-N 0 0 317.414 3.034 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@H](C)[C@@]23C[C@@H]2CCCC3)ccc1[N+](=O)[O-] ZINC000877685770 623991508 /nfs/dbraw/zinc/99/15/08/623991508.db2.gz GSVABFAMYVYAEA-BTJLNZGRSA-N 0 0 320.389 3.367 20 10 DGCDRN Cc1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)c(O)c1O ZINC000780905509 623996012 /nfs/dbraw/zinc/99/60/12/623996012.db2.gz REPBAGKVPVEEOT-UHFFFAOYSA-N 0 0 306.387 3.413 20 10 DGCDRN Cc1ccc(C(=O)NC(C)(C)c2ccc(F)cc2)c(O)c1O ZINC000780929535 624000257 /nfs/dbraw/zinc/00/02/57/624000257.db2.gz TXNOQJQIRAMURR-UHFFFAOYSA-N 0 0 303.333 3.210 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000877709472 624000832 /nfs/dbraw/zinc/00/08/32/624000832.db2.gz ACVJSGXYCKQKLH-ABAIWWIYSA-N 0 0 313.800 3.480 20 10 DGCDRN Cn1cc(C(F)F)c(C[NH2+]Cc2cccc(Cl)c2[O-])n1 ZINC000877734220 624008469 /nfs/dbraw/zinc/00/84/69/624008469.db2.gz MSGCZGVHWBRJQY-UHFFFAOYSA-N 0 0 301.724 3.007 20 10 DGCDRN C[C@]1(C(=O)NCc2ccc(N3CCCCC3)cc2)CCCOC1 ZINC000781325069 624055463 /nfs/dbraw/zinc/05/54/63/624055463.db2.gz QKZNAPMNMGSURY-IBGZPJMESA-N 0 0 316.445 3.110 20 10 DGCDRN CN1c2ccccc2C(=O)N[C@H]1c1cc(Cl)c(F)cc1O ZINC000877842921 624066026 /nfs/dbraw/zinc/06/60/26/624066026.db2.gz LULLXKGJZZXSNS-CQSZACIVSA-N 0 0 306.724 3.063 20 10 DGCDRN Cc1cccc2c1C(=O)N[C@@H](c1cc(Cl)c(F)cc1O)N2 ZINC000877848597 624068308 /nfs/dbraw/zinc/06/83/08/624068308.db2.gz TYOKDPBDQIDAIB-AWEZNQCLSA-N 0 0 306.724 3.347 20 10 DGCDRN O=C1N(c2ccccc2)[C@H](c2cc(Cl)ccc2O)NC12CC2 ZINC000877857619 624071435 /nfs/dbraw/zinc/07/14/35/624071435.db2.gz WFLLAPRDQYVBJT-OAHLLOKOSA-N 0 0 314.772 3.213 20 10 DGCDRN CC1(C)N[C@H](c2cc(Cl)ccc2O)N(c2ccccc2)C1=O ZINC000877857562 624071469 /nfs/dbraw/zinc/07/14/69/624071469.db2.gz UOSLVARPIFVYAY-HNNXBMFYSA-N 0 0 316.788 3.459 20 10 DGCDRN CC1(C)N[C@@H](c2cc(F)ccc2O)N(CC2CCCCC2)C1=O ZINC000877857506 624071589 /nfs/dbraw/zinc/07/15/89/624071589.db2.gz SMSOETJEPJIBFN-MRXNPFEDSA-N 0 0 320.408 3.321 20 10 DGCDRN O=C1N[C@@H](c2cccc(Cl)c2O)Nc2cc(F)c(F)cc21 ZINC000877859369 624072649 /nfs/dbraw/zinc/07/26/49/624072649.db2.gz RJWZWEGLMOSTQN-ZDUSSCGKSA-N 0 0 310.687 3.178 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1cccc(Cl)c1[O-] ZINC000806148758 624074021 /nfs/dbraw/zinc/07/40/21/624074021.db2.gz YAQMGBGJDIKWKY-JLUCKKNBSA-N 0 0 322.836 3.096 20 10 DGCDRN COc1cc(Cl)cc([C@H]2NC(=O)c3ccc(C)cc3N2)c1O ZINC000877865103 624075049 /nfs/dbraw/zinc/07/50/49/624075049.db2.gz VDQNJEUSQOWICJ-OAHLLOKOSA-N 0 0 318.760 3.217 20 10 DGCDRN CCCCc1nnc(NC(=O)N[C@@H](C)c2ccccc2O)s1 ZINC000877978235 624121670 /nfs/dbraw/zinc/12/16/70/624121670.db2.gz BOHIKEVQKPPKRE-JTQLQIEISA-N 0 0 320.418 3.469 20 10 DGCDRN Cc1cnc(Cl)c(C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000877977995 624121766 /nfs/dbraw/zinc/12/17/66/624121766.db2.gz AVEQPBBQBUHVJA-UHFFFAOYSA-N 0 0 303.793 3.039 20 10 DGCDRN CCOc1ccc(N(C)C[C@@H]2CCC3(CCOCC3)O2)cc1 ZINC000878126621 624179853 /nfs/dbraw/zinc/17/98/53/624179853.db2.gz YBUVOJUYMSLEJS-KRWDZBQOSA-N 0 0 305.418 3.250 20 10 DGCDRN CCOc1ccc(N(C)C[C@H]2CC3(CO2)CCOCC3)cc1 ZINC000878124607 624179884 /nfs/dbraw/zinc/17/98/84/624179884.db2.gz IVMNEXNCWXYNBM-QGZVFWFLSA-N 0 0 305.418 3.107 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1ncnc2sccc21 ZINC000782041077 624193265 /nfs/dbraw/zinc/19/32/65/624193265.db2.gz FUEPFUZXMQEDMJ-SECBINFHSA-N 0 0 301.371 3.146 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCCOCC2)cc1 ZINC000782073211 624199422 /nfs/dbraw/zinc/19/94/22/624199422.db2.gz XAMHJLCOODTGAW-QGZVFWFLSA-N 0 0 318.461 3.308 20 10 DGCDRN CCN(C[C@H]1CCC2(CCOCC2)CO1)c1ccc(OC)cc1 ZINC000878219921 624219512 /nfs/dbraw/zinc/21/95/12/624219512.db2.gz USAAKFSDXAXOBO-GOSISDBHSA-N 0 0 319.445 3.497 20 10 DGCDRN CCOc1ccc(N(CC)C[C@H]2CC3(CO2)CCOCC3)cc1 ZINC000878220672 624220175 /nfs/dbraw/zinc/22/01/75/624220175.db2.gz NJUDQCTVKFEPSL-GOSISDBHSA-N 0 0 319.445 3.497 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3ccnc(C4CC4)c3)ccc21 ZINC000783042863 624303909 /nfs/dbraw/zinc/30/39/09/624303909.db2.gz IWWSVJZPFDQSCY-UHFFFAOYSA-N 0 0 321.424 3.271 20 10 DGCDRN c1c[nH]c([C@@H](NCc2ccc3c(c2)CCO3)c2ccccc2)n1 ZINC000783238893 624329101 /nfs/dbraw/zinc/32/91/01/624329101.db2.gz UQLJTLXHMNVDMW-SFHVURJKSA-N 0 0 305.381 3.224 20 10 DGCDRN C[C@H](CC(=O)OCC(=O)c1ccc(O)c(O)c1)C1CCCCC1 ZINC000783357261 624339761 /nfs/dbraw/zinc/33/97/61/624339761.db2.gz PNQKDCHBQLFSLT-GFCCVEGCSA-N 0 0 320.385 3.430 20 10 DGCDRN O=C(Nc1cccc(N2CCCCC2)c1)c1cccc2n[nH]nc21 ZINC000783570267 624367670 /nfs/dbraw/zinc/36/76/70/624367670.db2.gz KAIVCYRAAHNMDY-UHFFFAOYSA-N 0 0 321.384 3.201 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC(CCCO)CC1 ZINC000783600346 624373196 /nfs/dbraw/zinc/37/31/96/624373196.db2.gz YMKMBCQNBIFDDV-UHFFFAOYSA-N 0 0 301.789 3.169 20 10 DGCDRN Cc1cc(C(=O)NCC(=O)C2CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000783601981 624373204 /nfs/dbraw/zinc/37/32/04/624373204.db2.gz BBGOKFOSQPYTSJ-UHFFFAOYSA-N 0 0 324.424 3.420 20 10 DGCDRN Cc1cnc(Cl)c(C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000878863749 624374685 /nfs/dbraw/zinc/37/46/85/624374685.db2.gz DRHZCDGQMJVWFM-UHFFFAOYSA-N 0 0 317.820 3.348 20 10 DGCDRN C[C@@H](N[C@H](C)c1ncc(Br)cn1)c1ccccc1O ZINC000805749217 624378467 /nfs/dbraw/zinc/37/84/67/624378467.db2.gz WQGUVPNQGAOWHK-NXEZZACHSA-N 0 0 322.206 3.357 20 10 DGCDRN CN(Cc1cnnn1C)c1ccc(OCc2ccccc2)cc1 ZINC000783715137 624387080 /nfs/dbraw/zinc/38/70/80/624387080.db2.gz HNXSANBQZGUXOA-UHFFFAOYSA-N 0 0 308.385 3.031 20 10 DGCDRN COc1cc(Cl)cc(CN2CCO[C@H](C(C)(C)C)C2)c1O ZINC000790930507 625717883 /nfs/dbraw/zinc/71/78/83/625717883.db2.gz DEMZBFYJMZODTP-AWEZNQCLSA-N 0 0 313.825 3.301 20 10 DGCDRN C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000790934593 625718083 /nfs/dbraw/zinc/71/80/83/625718083.db2.gz NRZXYHORKYGJCC-GXFFZTMASA-N 0 0 301.789 3.310 20 10 DGCDRN CCOC(=O)c1ccc(C(=O)CSc2nccs2)cc1 ZINC000783984013 624416048 /nfs/dbraw/zinc/41/60/48/624416048.db2.gz DHSRXSAEXSNLGZ-UHFFFAOYSA-N 0 0 307.396 3.295 20 10 DGCDRN CCN(C(=O)/C=C\c1cnccc1C)c1ccccc1C(=O)OC ZINC000784005813 624419768 /nfs/dbraw/zinc/41/97/68/624419768.db2.gz AFZXTKXWQBSILS-KTKRTIGZSA-N 0 0 324.380 3.243 20 10 DGCDRN Cc1c(NC(=O)N[C@H](C)c2ccccc2O)cnn1CC(C)C ZINC000879070083 624420357 /nfs/dbraw/zinc/42/03/57/624420357.db2.gz NMRVYYMXILAHEV-GFCCVEGCSA-N 0 0 316.405 3.436 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)N1C[C@@H](C)Oc2cc(F)ccc21 ZINC000784045947 624427789 /nfs/dbraw/zinc/42/77/89/624427789.db2.gz CQGXDNBTMIWETH-VUUYWXRKSA-N 0 0 312.344 3.356 20 10 DGCDRN CCOc1ccc(N(Cc2ncnn2CCF)CC2CC2)cc1 ZINC000879117461 624431305 /nfs/dbraw/zinc/43/13/05/624431305.db2.gz SOAIMITUYOLSBS-UHFFFAOYSA-N 0 0 318.396 3.063 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000784088314 624435668 /nfs/dbraw/zinc/43/56/68/624435668.db2.gz FKGZFAHCPURPGW-BQYQJAHWSA-N 0 0 323.352 3.291 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@]2(C)CCO[C@@H]2C)cc1 ZINC000784243197 624461378 /nfs/dbraw/zinc/46/13/78/624461378.db2.gz WACDAYVWMDUHJY-BEFAXECRSA-N 0 0 312.413 3.391 20 10 DGCDRN C[C@@H](NC(=O)Nc1ccnn1[C@H](C)C1CC1)c1ccccc1O ZINC000879272327 624477596 /nfs/dbraw/zinc/47/75/96/624477596.db2.gz ACCDQYNXFGGBGA-VXGBXAGGSA-N 0 0 314.389 3.442 20 10 DGCDRN CC(C)OCCCC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000784638193 624563514 /nfs/dbraw/zinc/56/35/14/624563514.db2.gz WHSHHYLKHCVEKA-UHFFFAOYSA-N 0 0 318.461 3.498 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@]2(C)CCO[C@@H]2C)c1 ZINC000784640124 624563946 /nfs/dbraw/zinc/56/39/46/624563946.db2.gz LKCZJGMDCLCPGF-QMTHXVAHSA-N 0 0 314.223 3.120 20 10 DGCDRN C[C@H](NCc1nc(CCc2ccccc2)no1)c1ccccc1O ZINC000879651372 624624212 /nfs/dbraw/zinc/62/42/12/624624212.db2.gz SJPBBYDIIUAYQD-AWEZNQCLSA-N 0 0 323.396 3.411 20 10 DGCDRN O=C(Nc1ccc(OC(F)(F)F)cc1O)C1=CC(=O)CS1 ZINC000785422498 624664699 /nfs/dbraw/zinc/66/46/99/624664699.db2.gz TZXJMGPUNDEPQI-UHFFFAOYSA-N 0 0 319.260 3.310 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cc(C(F)F)n[nH]1 ZINC000879888909 624715876 /nfs/dbraw/zinc/71/58/76/624715876.db2.gz XSJFAFVVIJWFAU-UHFFFAOYSA-N 0 0 323.343 3.495 20 10 DGCDRN CC1(C)C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCS1 ZINC000888795040 624739987 /nfs/dbraw/zinc/73/99/87/624739987.db2.gz VVVBLUIYFVIKHI-LBPRGKRZSA-N 0 0 320.418 3.253 20 10 DGCDRN Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000786584837 624926031 /nfs/dbraw/zinc/92/60/31/624926031.db2.gz UXAGJHWVQLOEAK-IUODEOHRSA-N 0 0 321.367 3.233 20 10 DGCDRN Cc1ccccc1C[C@@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000786583256 624926361 /nfs/dbraw/zinc/92/63/61/624926361.db2.gz QBQUBEUZUOQOMZ-WFASDCNBSA-N 0 0 321.367 3.233 20 10 DGCDRN Cc1ccc(-n2cc(NC(=O)c3cccc(O)c3O)cn2)c(C)c1 ZINC000787406391 625007419 /nfs/dbraw/zinc/00/74/19/625007419.db2.gz JZXWQZDMSSLVNY-UHFFFAOYSA-N 0 0 323.352 3.153 20 10 DGCDRN CCOC(=O)[C@@H](CC)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000787441750 625010710 /nfs/dbraw/zinc/01/07/10/625010710.db2.gz ZVRPTESEBLIBII-QGZVFWFLSA-N 0 0 304.434 3.059 20 10 DGCDRN Cc1ccncc1CCCN1CCOc2cc(N(C)C)ccc21 ZINC000787774393 625049801 /nfs/dbraw/zinc/04/98/01/625049801.db2.gz HIEQLIZAZQNJHN-UHFFFAOYSA-N 0 0 311.429 3.288 20 10 DGCDRN Cc1cc([C@@H](C)NCc2ccc(N3CCSCC3)cc2)no1 ZINC000788543343 625212802 /nfs/dbraw/zinc/21/28/02/625212802.db2.gz UKLIUCCJMQEIQQ-CQSZACIVSA-N 0 0 317.458 3.387 20 10 DGCDRN CCN(C(=O)/C=C\c1cncc(O)c1)c1ccc2[nH]ccc2c1 ZINC000788551846 625215296 /nfs/dbraw/zinc/21/52/96/625215296.db2.gz OMTYTTOQMDNUDU-UTCJRWHESA-N 0 0 307.353 3.335 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)C2(SC)CC2)cc1 ZINC000788671528 625238717 /nfs/dbraw/zinc/23/87/17/625238717.db2.gz LZJYJFCQFWJXDW-UHFFFAOYSA-N 0 0 306.475 3.387 20 10 DGCDRN C[C@@H]([NH2+]CCC[C@H](C)CO)c1cccc(C(F)(F)F)c1[O-] ZINC000788685106 625243597 /nfs/dbraw/zinc/24/35/97/625243597.db2.gz GQCUBBBQKHNXEU-WDEREUQCSA-N 0 0 305.340 3.470 20 10 DGCDRN C[C@@H]([NH2+]CCN1CC=CCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788803829 625270689 /nfs/dbraw/zinc/27/06/89/625270689.db2.gz HNYOMAINJFQCTI-GFCCVEGCSA-N 0 0 314.351 3.324 20 10 DGCDRN O=C1COc2ccc(NCc3c(O)ccc(Cl)c3F)cc2N1 ZINC000790950804 625720913 /nfs/dbraw/zinc/72/09/13/625720913.db2.gz FIWXMJDYYFGASU-UHFFFAOYSA-N 0 0 322.723 3.128 20 10 DGCDRN C[C@@H](CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccncc1 ZINC000129676127 625723757 /nfs/dbraw/zinc/72/37/57/625723757.db2.gz HJHLENUKNFVGNA-HNNXBMFYSA-N 0 0 311.429 3.300 20 10 DGCDRN CC(C)[C@@H]1C[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CCO1 ZINC000790982735 625729395 /nfs/dbraw/zinc/72/93/95/625729395.db2.gz XNACOSFLAXEYFG-YGRLFVJLSA-N 0 0 301.789 3.478 20 10 DGCDRN COc1cnccc1[C@@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790993322 625733282 /nfs/dbraw/zinc/73/32/82/625733282.db2.gz TXAQEEUCKBSMJU-SECBINFHSA-N 0 0 310.756 3.439 20 10 DGCDRN CO[C@H]1CCOc2c(NC(=O)C3=CC(=O)CS3)cccc21 ZINC000791096712 625750710 /nfs/dbraw/zinc/75/07/10/625750710.db2.gz MBPLEODSRNFNMJ-LBPRGKRZSA-N 0 0 305.355 3.176 20 10 DGCDRN CCCOc1ncccc1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882923242 625861893 /nfs/dbraw/zinc/86/18/93/625861893.db2.gz ZISLVKOXDXPZHN-UHFFFAOYSA-N 0 0 308.328 3.144 20 10 DGCDRN C[C@@H](Cc1ccccc1F)C(=O)N(C)Cc1ccccc1O ZINC000130524933 625867318 /nfs/dbraw/zinc/86/73/18/625867318.db2.gz NGOKDUQPMWHFCR-ZDUSSCGKSA-N 0 0 301.361 3.369 20 10 DGCDRN CCc1ccc([C@H](COC)[NH2+]Cc2cc(F)cc(F)c2[O-])o1 ZINC000883017797 625898551 /nfs/dbraw/zinc/89/85/51/625898551.db2.gz BHPBMUVYIILBKI-AWEZNQCLSA-N 0 0 311.328 3.303 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@H](O)c1cccc(F)c1 ZINC000883027692 625902175 /nfs/dbraw/zinc/90/21/75/625902175.db2.gz KQPRPHDSKWXKNP-PSLIRLAXSA-N 0 0 311.303 3.021 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH+]1CCC(CCCO)CC1 ZINC000792173378 625919648 /nfs/dbraw/zinc/91/96/48/625919648.db2.gz DWFYWTFFQDQOHS-UHFFFAOYSA-N 0 0 301.789 3.169 20 10 DGCDRN CO[C@@]1(C)CCCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000792179004 625920872 /nfs/dbraw/zinc/92/08/72/625920872.db2.gz MOCSHFGNVLFLJD-KSSFIOAISA-N 0 0 319.449 3.024 20 10 DGCDRN CCN(CC)c1ccc(CN([C@@H](C)C(=O)OC)C2CCC2)cc1 ZINC000792188967 625923096 /nfs/dbraw/zinc/92/30/96/625923096.db2.gz ZCBPFCHPFGZIDA-HNNXBMFYSA-N 0 0 318.461 3.449 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000883099205 625926863 /nfs/dbraw/zinc/92/68/63/625926863.db2.gz MQKUBTICYUZEFS-CQSZACIVSA-N 0 0 309.287 3.423 20 10 DGCDRN OC1CCN(c2ccc(CNc3ccc4[nH]cnc4c3)cc2)CC1 ZINC000883114498 625932358 /nfs/dbraw/zinc/93/23/58/625932358.db2.gz XUCCLZQHPBYPPC-UHFFFAOYSA-N 0 0 322.412 3.136 20 10 DGCDRN COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])c1 ZINC000883156229 625947045 /nfs/dbraw/zinc/94/70/45/625947045.db2.gz INWJDNGOLNKXMW-SECBINFHSA-N 0 0 309.312 3.235 20 10 DGCDRN COC(=O)c1ccc(CN(C)c2ccc(OC(C)C)cc2)nc1 ZINC000796041536 626018197 /nfs/dbraw/zinc/01/81/97/626018197.db2.gz PBRDZJWWPTXSDA-UHFFFAOYSA-N 0 0 314.385 3.292 20 10 DGCDRN O=C(COC(=O)[C@@H](F)CC1CCCCC1)c1ccc(O)c(O)c1 ZINC000796205950 626029848 /nfs/dbraw/zinc/02/98/48/626029848.db2.gz LAEYSIGFPQIOKI-ZDUSSCGKSA-N 0 0 324.348 3.132 20 10 DGCDRN Cc1ccc(NC(=O)C2=CC(=O)CS2)cc1NC(=O)N(C)C ZINC000796389893 626045656 /nfs/dbraw/zinc/04/56/56/626045656.db2.gz BWAIGUNHERPBLY-UHFFFAOYSA-N 0 0 319.386 3.108 20 10 DGCDRN CC[C@H]([NH2+]Cc1cn2ccsc2n1)c1ccc(F)cc1[O-] ZINC000796706982 626075089 /nfs/dbraw/zinc/07/50/89/626075089.db2.gz BXHGVFIKIKQJFX-ZDUSSCGKSA-N 0 0 305.378 3.481 20 10 DGCDRN CC[C@H]([NH2+][C@H](CO)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000796780344 626081511 /nfs/dbraw/zinc/08/15/11/626081511.db2.gz RAUHJRUXKGZQTN-RDJZCZTQSA-N 0 0 303.377 3.176 20 10 DGCDRN CC[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1ccc(F)cc1[O-] ZINC000796789656 626083264 /nfs/dbraw/zinc/08/32/64/626083264.db2.gz OULDPADCDPLELM-INIZCTEOSA-N 0 0 322.424 3.363 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1ccc(F)cc1[O-] ZINC000796790822 626083276 /nfs/dbraw/zinc/08/32/76/626083276.db2.gz WABREGQLBSQYHV-ZBFHGGJFSA-N 0 0 312.454 3.009 20 10 DGCDRN CC[C@H]([NH2+][C@H](CO)c1ccccc1OC)c1ccc(F)cc1[O-] ZINC000796818472 626085879 /nfs/dbraw/zinc/08/58/79/626085879.db2.gz UTHJHTZNBBGNRD-JKSUJKDBSA-N 0 0 319.376 3.314 20 10 DGCDRN COc1ccc(O)c(CNCc2c(F)cc(F)c(F)c2F)c1 ZINC000797605513 626159645 /nfs/dbraw/zinc/15/96/45/626159645.db2.gz SARJQTORJPISAE-UHFFFAOYSA-N 0 0 315.266 3.247 20 10 DGCDRN CCc1ccnc(CNC(=S)Nc2ccc(OC)c(F)c2)c1 ZINC000797793482 626169423 /nfs/dbraw/zinc/16/94/23/626169423.db2.gz PFSUHLGFWFUKFT-UHFFFAOYSA-N 0 0 319.405 3.278 20 10 DGCDRN CSc1ccc(CCNC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000798041675 626190773 /nfs/dbraw/zinc/19/07/73/626190773.db2.gz AYRMWADYZVKKKX-UHFFFAOYSA-N 0 0 317.410 3.101 20 10 DGCDRN COC(=O)Nc1cccc(NCc2c(O)cccc2OC)c1C ZINC000798087183 626193534 /nfs/dbraw/zinc/19/35/34/626193534.db2.gz NCJKKDCHKNEYEA-UHFFFAOYSA-N 0 0 316.357 3.500 20 10 DGCDRN C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1cccc(C(F)(F)F)c1[O-] ZINC000798181484 626199858 /nfs/dbraw/zinc/19/98/58/626199858.db2.gz KPLBNRJYKBVIFH-FRGLDACASA-N 0 0 323.380 3.219 20 10 DGCDRN CCN(CC)CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000798179945 626199925 /nfs/dbraw/zinc/19/99/25/626199925.db2.gz UOABEKOWWBFZGX-LLVKDONJSA-N 0 0 304.356 3.403 20 10 DGCDRN C[C@H]([NH2+]C1CCN(C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000798180082 626200021 /nfs/dbraw/zinc/20/00/21/626200021.db2.gz YOWRBIJJKQMHIZ-JTQLQIEISA-N 0 0 302.340 3.156 20 10 DGCDRN C[C@@H]([NH2+]CCc1cncn1C)c1cccc(C(F)(F)F)c1[O-] ZINC000798183956 626200524 /nfs/dbraw/zinc/20/05/24/626200524.db2.gz XCOTYYAQZIOYKI-SNVBAGLBSA-N 0 0 313.323 3.038 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1cc(C(C)(C)C)on1 ZINC000798195461 626201552 /nfs/dbraw/zinc/20/15/52/626201552.db2.gz HJYJWWULSHEQSL-UHFFFAOYSA-N 0 0 315.417 3.437 20 10 DGCDRN Cc1csc(NC(=O)CSc2ncc(Cl)s2)n1 ZINC000799969829 626339346 /nfs/dbraw/zinc/33/93/46/626339346.db2.gz BDMNKZQLHDVYNZ-UHFFFAOYSA-N 0 0 305.837 3.292 20 10 DGCDRN CO[C@H]1CC[C@H](OC(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000800462480 626362219 /nfs/dbraw/zinc/36/22/19/626362219.db2.gz GUQNKADKTFXQDX-GJZGRUSLSA-N 0 0 314.385 3.213 20 10 DGCDRN Cc1ncsc1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839915623 626370135 /nfs/dbraw/zinc/37/01/35/626370135.db2.gz IQBCPHRZWKVEAK-LBPRGKRZSA-N 0 0 317.458 3.187 20 10 DGCDRN Cc1ccncc1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839917606 626370952 /nfs/dbraw/zinc/37/09/52/626370952.db2.gz FTBRXKHPBZCCNE-HNNXBMFYSA-N 0 0 311.429 3.125 20 10 DGCDRN CCSCCCNC(=O)NCCCSc1nccs1 ZINC000800713082 626372487 /nfs/dbraw/zinc/37/24/87/626372487.db2.gz XBHNXJJDEAAKDD-UHFFFAOYSA-N 0 0 319.521 3.068 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCn1cccc1 ZINC000839919911 626373434 /nfs/dbraw/zinc/37/34/34/626373434.db2.gz WWMUHRHGKGYUNZ-MRXNPFEDSA-N 0 0 313.445 3.000 20 10 DGCDRN CC[C@@H]1CC[C@H](C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)O1 ZINC000839921097 626373667 /nfs/dbraw/zinc/37/36/67/626373667.db2.gz WREYJVXOEPYKIN-ZTFGCOKTSA-N 0 0 318.461 3.066 20 10 DGCDRN CS[C@@H](C)CC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839920972 626373702 /nfs/dbraw/zinc/37/37/02/626373702.db2.gz WCFKFILDXAFIIN-KGLIPLIRSA-N 0 0 308.491 3.250 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@@H]1C(F)F ZINC000800833310 626378126 /nfs/dbraw/zinc/37/81/26/626378126.db2.gz PCXPCBUXSGSDDX-GJZGRUSLSA-N 0 0 310.388 3.391 20 10 DGCDRN CCCN(Cc1ccccc1O)c1nc([C@@H](C)OC)ns1 ZINC000800858393 626379559 /nfs/dbraw/zinc/37/95/59/626379559.db2.gz JCMFEBNYYGKITI-LLVKDONJSA-N 0 0 307.419 3.368 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)co1 ZINC000839922799 626381127 /nfs/dbraw/zinc/38/11/27/626381127.db2.gz ZEXGONQXNRBYLC-CYBMUJFWSA-N 0 0 300.402 3.323 20 10 DGCDRN O=C(/C=C/c1ccc(Cl)nc1)N1CCc2cc(F)ccc21 ZINC000801076332 626393186 /nfs/dbraw/zinc/39/31/86/626393186.db2.gz HBIYQNUKBOLSHT-QHHAFSJGSA-N 0 0 302.736 3.477 20 10 DGCDRN Cc1cc(C)nc(C(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000801174263 626396571 /nfs/dbraw/zinc/39/65/71/626396571.db2.gz LVSXJPSYOGLFKK-UHFFFAOYSA-N 0 0 310.397 3.213 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Cc1c(C)n[nH]c1C ZINC000801548194 626409342 /nfs/dbraw/zinc/40/93/42/626409342.db2.gz BJVWQTCGWCHVAM-UHFFFAOYSA-N 0 0 315.417 3.104 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H](O)C1CCCCC1 ZINC000801548518 626409362 /nfs/dbraw/zinc/40/93/62/626409362.db2.gz WATLXMKPWXFGQT-SFHVURJKSA-N 0 0 319.445 3.462 20 10 DGCDRN CCC(CC)(CCO)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000801587466 626410744 /nfs/dbraw/zinc/41/07/44/626410744.db2.gz PCNWWIHNCJIICU-UHFFFAOYSA-N 0 0 313.825 3.279 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H](COC)C(C)C ZINC000802190710 626435064 /nfs/dbraw/zinc/43/50/64/626435064.db2.gz BBBVHNPOHNRMNI-INIZCTEOSA-N 0 0 322.449 3.375 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)CCCOC(C)(C)C)c1 ZINC000802782595 626571449 /nfs/dbraw/zinc/57/14/49/626571449.db2.gz YPHRJXCZHHMCAI-LBPRGKRZSA-N 0 0 309.406 3.173 20 10 DGCDRN CCc1nc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)o1 ZINC000803119983 626595343 /nfs/dbraw/zinc/59/53/43/626595343.db2.gz CXBHIOYFPNDEHT-NSHDSACASA-N 0 0 301.390 3.102 20 10 DGCDRN C[C@H](NC(=O)c1cnc(Cl)c(F)c1)c1ccc(N(C)C)cc1 ZINC000803218318 626598088 /nfs/dbraw/zinc/59/80/88/626598088.db2.gz UPQRRBTWDBUQMX-JTQLQIEISA-N 0 0 321.783 3.431 20 10 DGCDRN CC[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@H](O)c1ccccc1 ZINC000883203702 626607478 /nfs/dbraw/zinc/60/74/78/626607478.db2.gz JJIUJPQTYSDDNW-DOTOQJQBSA-N 0 0 307.340 3.272 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000843103884 626627398 /nfs/dbraw/zinc/62/73/98/626627398.db2.gz DRHWPRKRXLWXPR-TXEJJXNPSA-N 0 0 301.217 3.025 20 10 DGCDRN COc1ccc(N(C)CC(=O)N2CCC[C@@H](C)C2)cc1Cl ZINC000131449171 626640272 /nfs/dbraw/zinc/64/02/72/626640272.db2.gz LLJLGXRSKALZHE-GFCCVEGCSA-N 0 0 310.825 3.043 20 10 DGCDRN Cc1ccc(O)c(CNc2cccc([C@@]3(C)COC(=O)N3)c2)c1 ZINC000883326883 626648428 /nfs/dbraw/zinc/64/84/28/626648428.db2.gz MIDGBXGCYKWLPR-GOSISDBHSA-N 0 0 312.369 3.268 20 10 DGCDRN C[C@@]1(c2cccc(N[C@@H]3CCc4cccc(O)c43)c2)COC(=O)N1 ZINC000883329663 626649568 /nfs/dbraw/zinc/64/95/68/626649568.db2.gz PHAKZUOGDPBBTG-BEFAXECRSA-N 0 0 324.380 3.447 20 10 DGCDRN C[C@]1(c2cccc(N[C@H]3CCc4cccc(O)c43)c2)COC(=O)N1 ZINC000883329665 626649772 /nfs/dbraw/zinc/64/97/72/626649772.db2.gz PHAKZUOGDPBBTG-HNAYVOBHSA-N 0 0 324.380 3.447 20 10 DGCDRN Cc1cc(NCc2ccc(N3CCOCC3)c(F)c2)cnc1C ZINC000883342391 626654370 /nfs/dbraw/zinc/65/43/70/626654370.db2.gz VKLQVBGWBHTROB-UHFFFAOYSA-N 0 0 315.392 3.286 20 10 DGCDRN CC(=O)c1cc(NC(=O)C=Cc2ccc(O)c(O)c2)ccc1F ZINC000804273258 626665676 /nfs/dbraw/zinc/66/56/76/626665676.db2.gz SZFPDCROPXDTQA-CLTKARDFSA-N 0 0 315.300 3.091 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2c3ccccc3CC[C@@H]2F)c1 ZINC000883382201 626667396 /nfs/dbraw/zinc/66/73/96/626667396.db2.gz BGBGYBDFZBFJDL-RDJZCZTQSA-N 0 0 316.332 3.416 20 10 DGCDRN CN(C)c1ccc(CN(C)c2nc(C(F)(F)F)ns2)cc1 ZINC000804329351 626670336 /nfs/dbraw/zinc/67/03/36/626670336.db2.gz HIZMGCYSARQWEG-UHFFFAOYSA-N 0 0 316.352 3.259 20 10 DGCDRN CC[C@@H]([NH2+][C@H]1CC(=O)N(CC2CC2)C1)c1cccc(Cl)c1[O-] ZINC000883395907 626671832 /nfs/dbraw/zinc/67/18/32/626671832.db2.gz DTLDHCJUMLVPBZ-SWLSCSKDSA-N 0 0 322.836 3.097 20 10 DGCDRN Cc1ccc2nc(NCc3ccc(N4CCOCC4)cc3)[nH]c2c1 ZINC000883407694 626675474 /nfs/dbraw/zinc/67/54/74/626675474.db2.gz BUFKFZQLBDYIAP-UHFFFAOYSA-N 0 0 322.412 3.320 20 10 DGCDRN C[C@@H](Nc1cc(N2CCCC2)ncn1)c1ccc(N(C)C)cc1 ZINC000804622139 626698855 /nfs/dbraw/zinc/69/88/55/626698855.db2.gz UHMGLFFDQGEGEN-CQSZACIVSA-N 0 0 311.433 3.316 20 10 DGCDRN C[C@@H](CC(=O)NCCCSc1nccs1)c1ccncc1 ZINC000132292646 626712856 /nfs/dbraw/zinc/71/28/56/626712856.db2.gz ZGXIXUQTXRNNKC-LBPRGKRZSA-N 0 0 321.471 3.330 20 10 DGCDRN COc1cnc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000806513693 626718321 /nfs/dbraw/zinc/71/83/21/626718321.db2.gz ITKJRBPINYFGHG-JTQLQIEISA-N 0 0 320.418 3.100 20 10 DGCDRN CCc1cc(NC(=O)NCc2cc(OC)ccc2O)ccc1F ZINC000806553216 626720054 /nfs/dbraw/zinc/72/00/54/626720054.db2.gz JQYAWZUWHYUOTE-UHFFFAOYSA-N 0 0 318.348 3.424 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C2=C(C)OCCC2)cc1F ZINC000132832757 626743963 /nfs/dbraw/zinc/74/39/63/626743963.db2.gz XAJJLQMALCGFHM-UHFFFAOYSA-N 0 0 320.408 3.373 20 10 DGCDRN COc1ccncc1NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000132859626 626745648 /nfs/dbraw/zinc/74/56/48/626745648.db2.gz ZIXXFZFLRBIQPH-UHFFFAOYSA-N 0 0 322.368 3.145 20 10 DGCDRN CON(CC(C)(C)C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000807142181 626747347 /nfs/dbraw/zinc/74/73/47/626747347.db2.gz ZZJOEXIYFNIIRJ-CYBMUJFWSA-N 0 0 307.438 3.433 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CSC[C@H]1C ZINC000807477251 626758361 /nfs/dbraw/zinc/75/83/61/626758361.db2.gz MDIZMVSPNMKEFD-HIFRSBDPSA-N 0 0 322.474 3.455 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CSC[C@@H]1C ZINC000807477255 626758412 /nfs/dbraw/zinc/75/84/12/626758412.db2.gz MDIZMVSPNMKEFD-ZFWWWQNUSA-N 0 0 322.474 3.455 20 10 DGCDRN CCOCCOC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000807594429 626762506 /nfs/dbraw/zinc/76/25/06/626762506.db2.gz RKZUXIHORIOCSO-UHFFFAOYSA-N 0 0 317.385 3.296 20 10 DGCDRN O=C(Nc1ncc(-c2cccnc2)s1)C1=CC(=O)CS1 ZINC000807669804 626764208 /nfs/dbraw/zinc/76/42/08/626764208.db2.gz SOQUCKVRTIZZKR-UHFFFAOYSA-N 0 0 303.368 3.225 20 10 DGCDRN CC[C@H](NC(=O)C1=CC(=O)CS1)c1ccc(OC)c(OC)c1 ZINC000807683381 626764616 /nfs/dbraw/zinc/76/46/16/626764616.db2.gz YRNWDWBQPWPDDF-LBPRGKRZSA-N 0 0 321.398 3.352 20 10 DGCDRN COc1cc(C)cc(CN2CC(C)(C)[C@@H]2c2nccn2C)c1O ZINC000840110291 626764873 /nfs/dbraw/zinc/76/48/73/626764873.db2.gz XPOSXGBDEGGZLF-INIZCTEOSA-N 0 0 315.417 3.026 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C(C)(C)C)on1 ZINC000808095286 626792556 /nfs/dbraw/zinc/79/25/56/626792556.db2.gz XFCIRKVGDPIFKH-UHFFFAOYSA-N 0 0 323.389 3.093 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C(C)=O)cs1 ZINC000808095285 626792567 /nfs/dbraw/zinc/79/25/67/626792567.db2.gz XETMWJKSZZIOCL-UHFFFAOYSA-N 0 0 324.398 3.072 20 10 DGCDRN CC(=O)C(=O)COC(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000808506389 626831154 /nfs/dbraw/zinc/83/11/54/626831154.db2.gz JXXQGLUEACLWCM-UHFFFAOYSA-N 0 0 317.168 3.017 20 10 DGCDRN CC(=O)C(=O)COC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000808484902 626831634 /nfs/dbraw/zinc/83/16/34/626831634.db2.gz LKSADFUIKOJVNU-GFCCVEGCSA-N 0 0 322.426 3.214 20 10 DGCDRN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCc3c[nH]nc3C2)c1O ZINC000808701791 626851063 /nfs/dbraw/zinc/85/10/63/626851063.db2.gz IRFJNAOPXYMFIN-MFKMUULPSA-N 0 0 305.809 3.285 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1cnnn1-c1ccccc1 ZINC000808709064 626852651 /nfs/dbraw/zinc/85/26/51/626852651.db2.gz UIPIWPYTMLKKES-UHFFFAOYSA-N 0 0 320.396 3.229 20 10 DGCDRN CN1CCN(C(=O)/C=C/c2ccc(Cl)nc2)c2ccccc21 ZINC000134253395 626867691 /nfs/dbraw/zinc/86/76/91/626867691.db2.gz FQUXGLAEGVJGGP-VQHVLOKHSA-N 0 0 313.788 3.231 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CC2CCSCC2)cc1F ZINC000135431697 626930424 /nfs/dbraw/zinc/93/04/24/626930424.db2.gz PKPQHWSVMYRVQI-UHFFFAOYSA-N 0 0 310.438 3.041 20 10 DGCDRN CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000809748918 626945894 /nfs/dbraw/zinc/94/58/94/626945894.db2.gz GIVOYUFXAZJCLF-CYBMUJFWSA-N 0 0 309.381 3.085 20 10 DGCDRN CC(C)(C)OC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000809748919 626946134 /nfs/dbraw/zinc/94/61/34/626946134.db2.gz GIVOYUFXAZJCLF-ZDUSSCGKSA-N 0 0 309.381 3.085 20 10 DGCDRN [O-]c1c(F)cccc1C[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000809750359 626946528 /nfs/dbraw/zinc/94/65/28/626946528.db2.gz YVBKDGWVVCBMLW-UHFFFAOYSA-N 0 0 317.408 3.420 20 10 DGCDRN C[N@H+](Cc1ccc(O)cc1)Cc1cccc(Br)c1[O-] ZINC000809753610 626946725 /nfs/dbraw/zinc/94/67/25/626946725.db2.gz MULWOXLVVPFCSC-UHFFFAOYSA-N 0 0 322.202 3.492 20 10 DGCDRN CCOC(=O)c1cc(NCc2ccc(N(C)C)c(F)c2)cn1C ZINC000809756144 626947499 /nfs/dbraw/zinc/94/74/99/626947499.db2.gz QCJXRAUAKBPGSX-UHFFFAOYSA-N 0 0 319.380 3.019 20 10 DGCDRN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C1CCC(CO)CC1 ZINC000809763853 626948793 /nfs/dbraw/zinc/94/87/93/626948793.db2.gz DSZJXEZEPBBKLX-UHFFFAOYSA-N 0 0 301.789 3.168 20 10 DGCDRN C[C@@H](Cc1cnn(C)c1)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809775979 626951355 /nfs/dbraw/zinc/95/13/55/626951355.db2.gz NKOOXTHTSIOPOH-VIFPVBQESA-N 0 0 314.216 3.153 20 10 DGCDRN CN1c2ccccc2N(Cc2cccc(Cl)c2O)CCC1=O ZINC000809786128 626953356 /nfs/dbraw/zinc/95/33/56/626953356.db2.gz QNWRQSGIJZDOOL-UHFFFAOYSA-N 0 0 316.788 3.419 20 10 DGCDRN O=C1OCc2ccc(NCc3c(O)ccc(Cl)c3F)cc21 ZINC000809788414 626953869 /nfs/dbraw/zinc/95/38/69/626953869.db2.gz JUNJSZYLIVXJAS-UHFFFAOYSA-N 0 0 307.708 3.467 20 10 DGCDRN CCOC(=O)c1c(C)onc1CN(CC)c1ccc(OC)cc1 ZINC000809957616 626962550 /nfs/dbraw/zinc/96/25/50/626962550.db2.gz QYSXLWWEAMVHOW-UHFFFAOYSA-N 0 0 318.373 3.195 20 10 DGCDRN CN(C)c1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000810001751 626967580 /nfs/dbraw/zinc/96/75/80/626967580.db2.gz KVUPARNYUOTOQY-LJQANCHMSA-N 0 0 324.424 3.325 20 10 DGCDRN c1cc(C2CC2)cc(NCc2ccc(N3CCOCC3)cc2)n1 ZINC000810175442 626984186 /nfs/dbraw/zinc/98/41/86/626984186.db2.gz MHRRTIGTGLUDOR-UHFFFAOYSA-N 0 0 309.413 3.408 20 10 DGCDRN COCc1nc(CN[C@H]2C[C@@H](C)c3c2c(O)ccc3F)cs1 ZINC000810253658 626993332 /nfs/dbraw/zinc/99/33/32/626993332.db2.gz ZONXRIMDJFNDKR-SKDRFNHKSA-N 0 0 322.405 3.472 20 10 DGCDRN CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000810258102 626993860 /nfs/dbraw/zinc/99/38/60/626993860.db2.gz ZGLHEKYYMDNXRT-VGMNWLOBSA-N 0 0 320.202 3.368 20 10 DGCDRN COc1cccc(CNC(=O)Cc2cccc(Cl)c2F)c1O ZINC000810328671 627001334 /nfs/dbraw/zinc/00/13/34/627001334.db2.gz XSTIXYJOVMHPLI-UHFFFAOYSA-N 0 0 323.751 3.052 20 10 DGCDRN COc1cc(N(C)C[C@@H]2CC[C@@H](C3CC3)O2)cc(OC)c1OC ZINC000886021014 627086100 /nfs/dbraw/zinc/08/61/00/627086100.db2.gz MVYAYDDKVJLCHB-GJZGRUSLSA-N 0 0 321.417 3.106 20 10 DGCDRN CCCOc1ccc(CN[C@@H](CCO)C(F)(F)F)cc1C ZINC000886370043 627144655 /nfs/dbraw/zinc/14/46/55/627144655.db2.gz VALQNCHDVDKIOH-AWEZNQCLSA-N 0 0 305.340 3.187 20 10 DGCDRN CCCOc1ccc(CN[C@H](CCO)C(F)(F)F)cc1C ZINC000886370044 627144693 /nfs/dbraw/zinc/14/46/93/627144693.db2.gz VALQNCHDVDKIOH-CQSZACIVSA-N 0 0 305.340 3.187 20 10 DGCDRN CC(C)CC(=O)N1CCC([NH2+][C@@H](C)c2c([O-])cccc2F)CC1 ZINC000886516744 627155677 /nfs/dbraw/zinc/15/56/77/627155677.db2.gz WZYPUSDYXMVYLO-ZDUSSCGKSA-N 0 0 322.424 3.219 20 10 DGCDRN Cc1ncc2c(n1)CCC[C@H]2[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886528151 627157200 /nfs/dbraw/zinc/15/72/00/627157200.db2.gz HVPIGANRSQYFAW-IINYFYTJSA-N 0 0 301.365 3.358 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)[C@@H](O)c1ccc(F)cc1 ZINC000886527922 627157293 /nfs/dbraw/zinc/15/72/93/627157293.db2.gz CKVZNDYHOKNKRC-WVQJBOLRSA-N 0 0 307.340 3.443 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1c([O-])cccc1F ZINC000886526371 627157344 /nfs/dbraw/zinc/15/73/44/627157344.db2.gz LHOPDKCAWGOSDP-NEPJUHHUSA-N 0 0 324.396 3.191 20 10 DGCDRN C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1c([O-])cccc1F ZINC000886530521 627157962 /nfs/dbraw/zinc/15/79/62/627157962.db2.gz LWLCOXQIUXBYTG-ZFWWWQNUSA-N 0 0 303.377 3.348 20 10 DGCDRN Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886532919 627158233 /nfs/dbraw/zinc/15/82/33/627158233.db2.gz RAHGSIYKDTXRPN-PWSUYJOCSA-N 0 0 305.397 3.163 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1c([O-])cccc1F ZINC000886551595 627161799 /nfs/dbraw/zinc/16/17/99/627161799.db2.gz KOQNRYRESHWTLC-DOMZBBRYSA-N 0 0 320.408 3.116 20 10 DGCDRN CNC(=O)C[C@@H]([NH2+][C@H](C)c1c([O-])cccc1F)c1ccccc1 ZINC000886605043 627171439 /nfs/dbraw/zinc/17/14/39/627171439.db2.gz IMSYXFMRRGDFEJ-IUODEOHRSA-N 0 0 316.376 3.059 20 10 DGCDRN C[C@@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1c([O-])cccc1F ZINC000886606526 627171517 /nfs/dbraw/zinc/17/15/17/627171517.db2.gz ANWUQYJQPJHPEL-HIFRSBDPSA-N 0 0 303.377 3.176 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1)c1c([O-])cccc1F ZINC000886620131 627174957 /nfs/dbraw/zinc/17/49/57/627174957.db2.gz CJMSTNKOUMCJHN-DXCKQFNASA-N 0 0 316.376 3.497 20 10 DGCDRN C[C@H]([NH2+][C@@H](CCO)c1ccccc1F)c1c([O-])cccc1F ZINC000886630309 627176624 /nfs/dbraw/zinc/17/66/24/627176624.db2.gz ZNLQOIUMQPZPQV-NHYWBVRUSA-N 0 0 307.340 3.445 20 10 DGCDRN COC(=O)Cc1ccccc1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886634865 627177212 /nfs/dbraw/zinc/17/72/12/627177212.db2.gz ORRKXLZFAMOSTA-GFCCVEGCSA-N 0 0 317.360 3.098 20 10 DGCDRN C[C@@H](O)[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1ccccc1F ZINC000886631620 627177341 /nfs/dbraw/zinc/17/73/41/627177341.db2.gz RHQGGIYCUAVXMW-RVPKQNPDSA-N 0 0 307.340 3.443 20 10 DGCDRN CCN(C)c1ccc([C@@H](C)N[C@@H](CCO)C(F)(F)F)cc1 ZINC000886801215 627205906 /nfs/dbraw/zinc/20/59/06/627205906.db2.gz JTQSAMPCJRLTSB-RISCZKNCSA-N 0 0 304.356 3.107 20 10 DGCDRN CCN(C)c1ccc([C@H](C)N[C@@H](CCO)C(F)(F)F)cc1 ZINC000886801214 627206095 /nfs/dbraw/zinc/20/60/95/627206095.db2.gz JTQSAMPCJRLTSB-FZMZJTMJSA-N 0 0 304.356 3.107 20 10 DGCDRN COc1ccc(CNC(=O)Cc2cccc(Cl)c2F)c(O)c1 ZINC000811485018 627279775 /nfs/dbraw/zinc/27/97/75/627279775.db2.gz SVYXZPMCVHJXPW-UHFFFAOYSA-N 0 0 323.751 3.052 20 10 DGCDRN c1ccc2c(c1)COCCN2Cc1ccc(N2CCOCC2)cc1 ZINC000811508547 627283701 /nfs/dbraw/zinc/28/37/01/627283701.db2.gz VWZWIMQWUYDLNI-UHFFFAOYSA-N 0 0 324.424 3.060 20 10 DGCDRN Cc1cc(O)c(CN2CC(O)(c3ccc(Cl)cc3)C2)cc1C ZINC000811509166 627284033 /nfs/dbraw/zinc/28/40/33/627284033.db2.gz KYDNCDRSCKNBDM-UHFFFAOYSA-N 0 0 317.816 3.366 20 10 DGCDRN CCN(C)c1ccc(/C=C2/c3cc(C)ccc3N(C)C2=O)cn1 ZINC000811699955 627307813 /nfs/dbraw/zinc/30/78/13/627307813.db2.gz BKYRLRXMUSSABK-WJDWOHSUSA-N 0 0 307.397 3.363 20 10 DGCDRN COc1ccc(O)c(CNc2ncc(C(F)(F)F)s2)c1 ZINC000811805463 627323133 /nfs/dbraw/zinc/32/31/33/627323133.db2.gz UKVVDKDOZVLHHG-UHFFFAOYSA-N 0 0 304.293 3.488 20 10 DGCDRN Cc1cc(Br)cnc1NCCc1ccc(O)c(O)c1 ZINC000811811175 627324291 /nfs/dbraw/zinc/32/42/91/627324291.db2.gz OOLKMJQJQODODB-UHFFFAOYSA-N 0 0 323.190 3.218 20 10 DGCDRN CC(C)Cn1c(C(C)C)nnc1N(C)Cc1ccccc1O ZINC000812248217 627365106 /nfs/dbraw/zinc/36/51/06/627365106.db2.gz GYICVXAPHXOOGS-UHFFFAOYSA-N 0 0 302.422 3.400 20 10 DGCDRN Cc1cc(NC(=O)c2cccc(O)c2O)nn1C1CCCCC1 ZINC000812302592 627369026 /nfs/dbraw/zinc/36/90/26/627369026.db2.gz WCUUVZAEYALMHX-UHFFFAOYSA-N 0 0 315.373 3.360 20 10 DGCDRN CCN(Cc1ccccc1)c1ccc(CNc2cn(C)nn2)cc1 ZINC000812345728 627373171 /nfs/dbraw/zinc/37/31/71/627373171.db2.gz LNDRBWFCZPTTSR-UHFFFAOYSA-N 0 0 321.428 3.454 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](C)[C@H](C)COC ZINC000812563467 627397996 /nfs/dbraw/zinc/39/79/96/627397996.db2.gz ALUYVGMRTISLBO-HUUCEWRRSA-N 0 0 307.434 3.440 20 10 DGCDRN Cn1nc2c(c1C[NH2+]Cc1cc(Cl)cc(F)c1[O-])CCCC2 ZINC000812773777 627418963 /nfs/dbraw/zinc/41/89/63/627418963.db2.gz RBRCFPGTRVMBEC-UHFFFAOYSA-N 0 0 323.799 3.087 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NOCCOC(C)C ZINC000812804794 627422896 /nfs/dbraw/zinc/42/28/96/627422896.db2.gz SLVHFYZRMOLWCK-UHFFFAOYSA-N 0 0 322.430 3.242 20 10 DGCDRN CC[C@H](CNC(=O)NCc1ccccc1O)CC(F)(F)F ZINC000840277053 627441732 /nfs/dbraw/zinc/44/17/32/627441732.db2.gz QIVRWQLYUQLISA-JTQLQIEISA-N 0 0 304.312 3.170 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CC(C3CC3)C2)cc1 ZINC000813043402 627443720 /nfs/dbraw/zinc/44/37/20/627443720.db2.gz KKHNMNHMAYMCBV-UHFFFAOYSA-N 0 0 301.434 3.084 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2nccn2CC)cc1 ZINC000813390118 627485548 /nfs/dbraw/zinc/48/55/48/627485548.db2.gz YNQBNHNSKOKFET-UHFFFAOYSA-N 0 0 314.433 3.021 20 10 DGCDRN C[C@@H](NC(=O)C[C@H]1CCC2(CCC2)O1)c1ccc(N(C)C)cc1 ZINC000890030506 627495557 /nfs/dbraw/zinc/49/55/57/627495557.db2.gz FPVREPFJURGDAH-RHSMWYFYSA-N 0 0 316.445 3.422 20 10 DGCDRN CC(C)Cn1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000890031102 627495562 /nfs/dbraw/zinc/49/55/62/627495562.db2.gz QALMOSPSBMNWKW-AWEZNQCLSA-N 0 0 314.433 3.096 20 10 DGCDRN CC(=O)C(=O)CS[C@H](C)c1cccc(Br)c1 ZINC000813582507 627499206 /nfs/dbraw/zinc/49/92/06/627499206.db2.gz NBVQQYAIZFRLBL-SECBINFHSA-N 0 0 301.205 3.401 20 10 DGCDRN CCN(CC)c1ccc(CNc2ccc(C(=O)OC)cn2)cc1 ZINC000813588428 627500067 /nfs/dbraw/zinc/50/00/67/627500067.db2.gz NSBQQPVKWIOSJZ-UHFFFAOYSA-N 0 0 313.401 3.327 20 10 DGCDRN COCC(C)(C)C[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000813790061 627512174 /nfs/dbraw/zinc/51/21/74/627512174.db2.gz HRWHXGUIJVBUMS-UHFFFAOYSA-N 0 0 316.239 3.225 20 10 DGCDRN Cc1cnc(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)o1 ZINC000813799662 627512756 /nfs/dbraw/zinc/51/27/56/627512756.db2.gz NMZZVJCJJQBFTR-UHFFFAOYSA-N 0 0 323.396 3.363 20 10 DGCDRN COc1ccc(/C=C2/SC(=S)N(C3CCC3)C2=O)cc1O ZINC000814185648 627548091 /nfs/dbraw/zinc/54/80/91/627548091.db2.gz MDWBXIQQSZLLFX-MDWZMJQESA-N 0 0 321.423 3.155 20 10 DGCDRN CN1C(=O)/C(=C/c2cnn(CC(F)F)c2)c2cc(Cl)ccc21 ZINC000814190374 627548876 /nfs/dbraw/zinc/54/88/76/627548876.db2.gz GBTJABOGDLLJNK-UUILKARUSA-N 0 0 323.730 3.319 20 10 DGCDRN COc1ccc(/C=C2/SC(=S)N(C3CC3)C2=O)cc1F ZINC000814285152 627556946 /nfs/dbraw/zinc/55/69/46/627556946.db2.gz PJIVFLXKSAOLAS-KPKJPENVSA-N 0 0 309.387 3.198 20 10 DGCDRN Cc1cc(C(=O)COC(=O)c2ccc[nH]2)c(C)n1-c1ccccc1 ZINC000007104534 627569109 /nfs/dbraw/zinc/56/91/09/627569109.db2.gz WEKRPIOWJYPKDV-UHFFFAOYSA-N 0 0 322.364 3.462 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCCC[C@@H]2OC)cc1 ZINC000815052407 627619809 /nfs/dbraw/zinc/61/98/09/627619809.db2.gz NMHYTOPSASRJFT-ROUUACIJSA-N 0 0 318.461 3.354 20 10 DGCDRN Cc1cc(CN2CCO[C@H](c3ccco3)C2)ccc1N(C)C ZINC000815060177 627620313 /nfs/dbraw/zinc/62/03/13/627620313.db2.gz QAXVCNIDULKIRY-SFHVURJKSA-N 0 0 300.402 3.228 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCC2C[C@H]3CC[C@@H](C2)S3)c1 ZINC000924324656 627628182 /nfs/dbraw/zinc/62/81/82/627628182.db2.gz MXJXMDOYRQCXQD-LQDVMPOASA-N 0 0 320.458 3.174 20 10 DGCDRN CSCc1cnc(CNCc2ccc3c(c2)CCO3)s1 ZINC000815123137 627631788 /nfs/dbraw/zinc/63/17/88/627631788.db2.gz XNDKSQZLJTWGSA-UHFFFAOYSA-N 0 0 306.456 3.231 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCC[C@H]1OC ZINC000815131835 627633631 /nfs/dbraw/zinc/63/36/31/627633631.db2.gz NJLRHVVXPJPGON-ZWKOTPCHSA-N 0 0 318.461 3.306 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1CCCN1C)c1cccc(C(F)(F)F)c1[O-] ZINC000815565880 627685473 /nfs/dbraw/zinc/68/54/73/627685473.db2.gz CLCKPBDKPBIRTR-GHMZBOCLSA-N 0 0 302.340 3.156 20 10 DGCDRN C[C@@H](Nc1ccc(F)c(NC(N)=O)c1)c1ccc(F)cc1O ZINC000815632321 627692940 /nfs/dbraw/zinc/69/29/40/627692940.db2.gz JXMBLJMNMWZQGJ-MRVPVSSYSA-N 0 0 307.300 3.334 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCc2cccc(O)c21 ZINC000815629940 627693066 /nfs/dbraw/zinc/69/30/66/627693066.db2.gz SDNLAQFQWYHDFQ-KRWDZBQOSA-N 0 0 324.424 3.113 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CC3CCC2CC3)c1 ZINC000815835208 627707084 /nfs/dbraw/zinc/70/70/84/627707084.db2.gz NBTWCMVEAVYRIT-OCLKLICZSA-N 0 0 303.402 3.404 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2ccc3cc(C)ccc3n2)c1 ZINC000815835245 627707194 /nfs/dbraw/zinc/70/71/94/627707194.db2.gz OARFGSQFGIWXSI-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN CCc1nc(C)c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000816180705 627750003 /nfs/dbraw/zinc/75/00/03/627750003.db2.gz YZLMZRBDTKEVFJ-LLVKDONJSA-N 0 0 301.390 3.102 20 10 DGCDRN CC(C)c1nnc2n1CCN(Cc1ccc3ccccc3c1O)C2 ZINC000816506310 627798423 /nfs/dbraw/zinc/79/84/23/627798423.db2.gz XZZLQCSXXOZRHZ-UHFFFAOYSA-N 0 0 322.412 3.276 20 10 DGCDRN CC(C)OC(=O)[C@@H](C)N(C)Cc1ccc2ccccc2c1O ZINC000816516932 627799777 /nfs/dbraw/zinc/79/97/77/627799777.db2.gz XKXMDUBAXGZVIW-CYBMUJFWSA-N 0 0 301.386 3.317 20 10 DGCDRN CNC(=O)Cc1ccc(NCc2cc(Cl)c(F)cc2O)cc1 ZINC000816522879 627802156 /nfs/dbraw/zinc/80/21/56/627802156.db2.gz SETTYUKAYDIRLJ-UHFFFAOYSA-N 0 0 322.767 3.085 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000816528563 627802664 /nfs/dbraw/zinc/80/26/64/627802664.db2.gz IDNZBWREYYIEGA-OAHLLOKOSA-N 0 0 313.731 3.147 20 10 DGCDRN Oc1cc(F)c(Cl)cc1CNc1ccn(CC(F)F)n1 ZINC000816556508 627807358 /nfs/dbraw/zinc/80/73/58/627807358.db2.gz LKDIFWIDPARTJI-UHFFFAOYSA-N 0 0 305.687 3.258 20 10 DGCDRN Cc1ccccc1[C@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816555910 627807544 /nfs/dbraw/zinc/80/75/44/627807544.db2.gz UANMBPZRSRJQBU-HNNXBMFYSA-N 0 0 309.768 3.316 20 10 DGCDRN NC(=O)NCc1ccc(NCc2ccc3ccccc3c2O)cc1 ZINC000816560013 627807827 /nfs/dbraw/zinc/80/78/27/627807827.db2.gz BWZGCRBUKYQLHP-UHFFFAOYSA-N 0 0 321.380 3.326 20 10 DGCDRN Cc1cccn2cc(C[NH2+]Cc3cc(Cl)c(F)cc3[O-])nc12 ZINC000816563369 627808381 /nfs/dbraw/zinc/80/83/81/627808381.db2.gz VZTAGNSGPSQREI-UHFFFAOYSA-N 0 0 319.767 3.431 20 10 DGCDRN CC(C)(C)[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@H]1O ZINC000816560693 627808512 /nfs/dbraw/zinc/80/85/12/627808512.db2.gz XMVVMXNXNDFUIL-XHDPSFHLSA-N 0 0 315.816 3.414 20 10 DGCDRN CC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816568638 627809188 /nfs/dbraw/zinc/80/91/88/627809188.db2.gz MEEUGIJRLVQDPI-CQSZACIVSA-N 0 0 303.761 3.006 20 10 DGCDRN CCOC(=O)C1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCC1 ZINC000816568059 627809393 /nfs/dbraw/zinc/80/93/93/627809393.db2.gz VGFCUTBAMNVWIP-UHFFFAOYSA-N 0 0 315.772 3.008 20 10 DGCDRN C[C@@H](NCc1ccc2ccccc2c1O)C(=O)OC(C)(C)C ZINC000816571213 627809758 /nfs/dbraw/zinc/80/97/58/627809758.db2.gz WBNRABHWAZHJAM-GFCCVEGCSA-N 0 0 301.386 3.365 20 10 DGCDRN OC[C@@H]1Cc2ccccc2N(Cc2cc(Cl)c(F)cc2O)C1 ZINC000816617016 627815534 /nfs/dbraw/zinc/81/55/34/627815534.db2.gz MALGINHXYWGYKQ-LLVKDONJSA-N 0 0 321.779 3.356 20 10 DGCDRN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H](O)Cc1ccccc1 ZINC000816625115 627816313 /nfs/dbraw/zinc/81/63/13/627816313.db2.gz RVMKQJHKIDYCGW-HNNXBMFYSA-N 0 0 323.795 3.220 20 10 DGCDRN C[N@@H+](Cc1c([O-])ccc(Cl)c1F)C[C@@H](O)Cc1ccccc1 ZINC000816624646 627816745 /nfs/dbraw/zinc/81/67/45/627816745.db2.gz BXCGQOFSONQMDH-ZDUSSCGKSA-N 0 0 323.795 3.220 20 10 DGCDRN Cc1cc(Cl)cc(CN2C[C@@H](CO)c3ccccc32)c1O ZINC000816636901 627816902 /nfs/dbraw/zinc/81/69/02/627816902.db2.gz LBVVYGOCCRDFJU-ZDUSSCGKSA-N 0 0 303.789 3.450 20 10 DGCDRN CNc1ccccc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000816939191 627840567 /nfs/dbraw/zinc/84/05/67/627840567.db2.gz WGSZYYBGZHGBPO-UHFFFAOYSA-N 0 0 310.397 3.243 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](c1ccccc1)C(F)F ZINC000817224690 627867026 /nfs/dbraw/zinc/86/70/26/627867026.db2.gz WBOKAFWFMBTLNR-GQSKFBFOSA-N 0 0 319.307 3.234 20 10 DGCDRN CCN(Cc1nn(C)cc1Cl)c1ccc(OC)c(OC)c1 ZINC000817274955 627876308 /nfs/dbraw/zinc/87/63/08/627876308.db2.gz UNJTXQDVWPSJHS-UHFFFAOYSA-N 0 0 309.797 3.117 20 10 DGCDRN Cn1nncc1COc1ccc(N2CCCCC2)c(Cl)c1 ZINC000817382020 627891759 /nfs/dbraw/zinc/89/17/59/627891759.db2.gz OAFDNAVXZLKSEC-UHFFFAOYSA-N 0 0 306.797 3.038 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(C)(C)c1cn(C(C)C)nn1 ZINC000817419836 627897679 /nfs/dbraw/zinc/89/76/79/627897679.db2.gz KVEZJBUAKSNCDY-UHFFFAOYSA-N 0 0 315.465 3.258 20 10 DGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CC12CC2 ZINC000817548162 627918444 /nfs/dbraw/zinc/91/84/44/627918444.db2.gz XLSGXUIOLHHBRK-LBPRGKRZSA-N 0 0 324.218 3.303 20 10 DGCDRN COC[C@@H]1CCN1C(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000817815489 627950459 /nfs/dbraw/zinc/95/04/59/627950459.db2.gz OPFDMTABKPUQBU-KRWDZBQOSA-N 0 0 312.413 3.263 20 10 DGCDRN Cc1ccc(/C=C/C(=O)N2CCc3c2c(F)ccc3F)cn1 ZINC000817827965 627950820 /nfs/dbraw/zinc/95/08/20/627950820.db2.gz XRKFVMJIJAWHJK-QPJJXVBHSA-N 0 0 300.308 3.271 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1F ZINC000817881546 627952862 /nfs/dbraw/zinc/95/28/62/627952862.db2.gz KQZGRSQFTRLTCL-UKRRQHHQSA-N 0 0 322.424 3.215 20 10 DGCDRN CC1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)CC1 ZINC000817904016 627957157 /nfs/dbraw/zinc/95/71/57/627957157.db2.gz OZKDNKMAGVCVTH-UHFFFAOYSA-N 0 0 315.442 3.188 20 10 DGCDRN CC[C@H]([NH2+][C@@H](CN)C1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817961367 627976037 /nfs/dbraw/zinc/97/60/37/627976037.db2.gz XTUKCSVSHFUNTJ-STQMWFEESA-N 0 0 303.233 3.477 20 10 DGCDRN C[C@@H](NCC[NH2+]C1CCCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817960273 627976056 /nfs/dbraw/zinc/97/60/56/627976056.db2.gz LKSYOFCUVNGVBQ-CYBMUJFWSA-N 0 0 321.421 3.263 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817976208 627980567 /nfs/dbraw/zinc/98/05/67/627980567.db2.gz IDBHMPMRQKIJHE-HOTUBEGUSA-N 0 0 321.223 3.440 20 10 DGCDRN CC[C@@H](N[C@H]1C[NH2+]CCC1(F)F)c1cccc(Cl)c1[O-] ZINC000817979774 627981382 /nfs/dbraw/zinc/98/13/82/627981382.db2.gz FDNSNBMUPKRNKY-NEPJUHHUSA-N 0 0 304.768 3.084 20 10 DGCDRN CCCN(C(=O)c1csc(Cc2ccc(N)cc2)n1)C1CC1 ZINC000817998985 627985208 /nfs/dbraw/zinc/98/52/08/627985208.db2.gz OBEHREAUAQXUDY-UHFFFAOYSA-N 0 0 315.442 3.331 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1CS[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000840354998 628006678 /nfs/dbraw/zinc/00/66/78/628006678.db2.gz VGAZPIYZHLYQEY-BZPMIXESSA-N 0 0 307.463 3.007 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CC12CC2)c1cc(Br)cc(F)c1[O-] ZINC000818355896 628017979 /nfs/dbraw/zinc/01/79/79/628017979.db2.gz KYMRFEMVHOXJFZ-RDDDGLTNSA-N 0 0 300.171 3.497 20 10 DGCDRN C[C@]1(C(=O)NCCc2ccc(N)cc2)CCc2ccccc2C1 ZINC000818545146 628033487 /nfs/dbraw/zinc/03/34/87/628033487.db2.gz LVBGTJASNCQEEN-FQEVSTJZSA-N 0 0 308.425 3.123 20 10 DGCDRN CCC(CC)n1nc(C)cc1C(=O)NCCc1ccc(N)cc1 ZINC000818544715 628033584 /nfs/dbraw/zinc/03/35/84/628033584.db2.gz JEZJYVUSHZOZMU-UHFFFAOYSA-N 0 0 314.433 3.107 20 10 DGCDRN COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2ccc(N)cc2)c1 ZINC000818556264 628035337 /nfs/dbraw/zinc/03/53/37/628035337.db2.gz GIYYMMMGHYNMJQ-GDBMZVCRSA-N 0 0 312.369 3.028 20 10 DGCDRN CCC(CC)(C[NH2+]Cc1cc(Cl)cc(OC)c1O)C(=O)[O-] ZINC000818630019 628045281 /nfs/dbraw/zinc/04/52/81/628045281.db2.gz XWGDBLPGXIMXMM-UHFFFAOYSA-N 0 0 315.797 3.035 20 10 DGCDRN O=C(c1cccc(O)c1O)N1C[C@H]2CCCCN2c2ccccc21 ZINC000819021284 628079633 /nfs/dbraw/zinc/07/96/33/628079633.db2.gz XZEALRBOTUCHQU-CYBMUJFWSA-N 0 0 324.380 3.117 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)/C=C/[C@H]2CCCO2)cc1 ZINC000819040304 628081974 /nfs/dbraw/zinc/08/19/74/628081974.db2.gz ZJCWDOOCYJIUEI-QFQMRYFISA-N 0 0 316.445 3.226 20 10 DGCDRN CC[C@@H]1CCC[C@@H](N2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000819169166 628104616 /nfs/dbraw/zinc/10/46/16/628104616.db2.gz XSNRUQAZCLSYIF-UKRRQHHQSA-N 0 0 316.401 3.125 20 10 DGCDRN CCOC[C@H](O)CNc1cc2oc3ccccc3c2cc1OC ZINC000819399433 628148026 /nfs/dbraw/zinc/14/80/26/628148026.db2.gz WDAQYNPZQIONTI-GFCCVEGCSA-N 0 0 315.369 3.404 20 10 DGCDRN O[C@H](CNc1ccccc1OCC1CC1)COCc1ccco1 ZINC000819450688 628156640 /nfs/dbraw/zinc/15/66/40/628156640.db2.gz FXJWHWCQYUFLNX-OAHLLOKOSA-N 0 0 317.385 3.058 20 10 DGCDRN Cc1ccc(OC[C@@H](O)CNc2ccccc2OCCF)cc1 ZINC000819489353 628162953 /nfs/dbraw/zinc/16/29/53/628162953.db2.gz UCVYQDVWUGFTPC-HNNXBMFYSA-N 0 0 319.376 3.195 20 10 DGCDRN C=C/C(C)=C\CC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819586572 628171363 /nfs/dbraw/zinc/17/13/63/628171363.db2.gz ADLGWRIMSSUPFF-DNBBOTNYSA-N 0 0 314.429 3.160 20 10 DGCDRN CC[C@H](C)[C@@H](C)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819586333 628171407 /nfs/dbraw/zinc/17/14/07/628171407.db2.gz NNUNKWPLLSIKLY-XHSDSOJGSA-N 0 0 318.461 3.320 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNC(=O)CCC3CCC3)C2)cc1 ZINC000819585545 628171441 /nfs/dbraw/zinc/17/14/41/628171441.db2.gz YSZDBFJKJZKLRI-INIZCTEOSA-N 0 0 316.445 3.218 20 10 DGCDRN CCC[C@@H](C)CC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819583582 628171610 /nfs/dbraw/zinc/17/16/10/628171610.db2.gz XQYVTVAGKDUWNA-CVEARBPZSA-N 0 0 318.461 3.464 20 10 DGCDRN C[C@@H](OC1CCCCCC1)C(=O)NCc1c(O)cccc1F ZINC000928705190 628179689 /nfs/dbraw/zinc/17/96/89/628179689.db2.gz HAMKFIWGNIHUDX-GFCCVEGCSA-N 0 0 309.381 3.275 20 10 DGCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)CCC(C)(C)C ZINC000819696132 628179934 /nfs/dbraw/zinc/17/99/34/628179934.db2.gz MUXIIIYKWPDOGD-UHFFFAOYSA-N 0 0 321.417 3.110 20 10 DGCDRN O=C(NCc1c(O)cccc1F)C1(Cc2ccc(F)cc2)CC1 ZINC000928708406 628180011 /nfs/dbraw/zinc/18/00/11/628180011.db2.gz KTUWOZIZRXRAOI-UHFFFAOYSA-N 0 0 317.335 3.310 20 10 DGCDRN CC(C)c1ccccc1OCC(=O)NCc1c(O)cccc1F ZINC000928710254 628180020 /nfs/dbraw/zinc/18/00/20/628180020.db2.gz RJFXEMHKOYNLIP-UHFFFAOYSA-N 0 0 317.360 3.350 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000928710250 628180154 /nfs/dbraw/zinc/18/01/54/628180154.db2.gz RGKMHVPTSSFTFE-UONOGXRCSA-N 0 0 317.335 3.480 20 10 DGCDRN Cc1cccc(CO[C@@H](C)C(=O)NCc2c(O)cccc2F)c1 ZINC000928709649 628180334 /nfs/dbraw/zinc/18/03/34/628180334.db2.gz KHWMDFIQFWTPCA-ZDUSSCGKSA-N 0 0 317.360 3.061 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC2=NC[C@H](C)S2)cc1 ZINC000819764297 628187173 /nfs/dbraw/zinc/18/71/73/628187173.db2.gz TTWNDZGKKVIMHG-ZDUSSCGKSA-N 0 0 313.426 3.315 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)OC3CCCC3)C2)cc1 ZINC000819888506 628196629 /nfs/dbraw/zinc/19/66/29/628196629.db2.gz WVANIANQHXOTKT-CQSZACIVSA-N 0 0 318.417 3.190 20 10 DGCDRN COc1ccc(N2CC[C@H](CNc3ccncc3Cl)C2)cc1 ZINC000819934943 628201217 /nfs/dbraw/zinc/20/12/17/628201217.db2.gz IXNNGWPYSPCPPG-CYBMUJFWSA-N 0 0 317.820 3.104 20 10 DGCDRN CC(C)(C)c1cnc(Sc2ccc(-c3nn[nH]n3)cn2)s1 ZINC000819966081 628206265 /nfs/dbraw/zinc/20/62/65/628206265.db2.gz VVWKALUHCPJIPA-UHFFFAOYSA-N 0 0 318.431 3.167 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CC[C@H](OC)C2)cc1 ZINC000819974533 628207451 /nfs/dbraw/zinc/20/74/51/628207451.db2.gz NTEKFEFXEPWFKB-WMZOPIPTSA-N 0 0 318.461 3.306 20 10 DGCDRN CC1=CC(C(=O)Nc2ccc(N=S(C)(C)=O)cc2)=S=C1C ZINC000820378575 628251376 /nfs/dbraw/zinc/25/13/76/628251376.db2.gz LDBCVULWHYUMKY-UHFFFAOYSA-N 0 0 322.455 3.042 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCC3(CCCC3)C2)cc1 ZINC000820384724 628251927 /nfs/dbraw/zinc/25/19/27/628251927.db2.gz ARPSNWVIQHTZFX-UHFFFAOYSA-N 0 0 300.362 3.255 20 10 DGCDRN CC(C)[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CCS1 ZINC000820402092 628253428 /nfs/dbraw/zinc/25/34/28/628253428.db2.gz HWMRFSUYWBMRAX-ZDUSSCGKSA-N 0 0 320.418 3.063 20 10 DGCDRN CC(C)C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000820464241 628262781 /nfs/dbraw/zinc/26/27/81/628262781.db2.gz XDMZMKAWXGBWSN-GFCCVEGCSA-N 0 0 302.378 3.357 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CS[C@H](C)C1 ZINC000840416761 628343901 /nfs/dbraw/zinc/34/39/01/628343901.db2.gz MSSSTGBABKMUAF-UKRRQHHQSA-N 0 0 321.490 3.178 20 10 DGCDRN C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]2CCCC[C@H]21 ZINC000821824440 628400360 /nfs/dbraw/zinc/40/03/60/628400360.db2.gz UFWYLFYIVPEOJY-BYCMXARLSA-N 0 0 314.389 3.500 20 10 DGCDRN CC(C)[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000822286293 628436170 /nfs/dbraw/zinc/43/61/70/628436170.db2.gz CIGMWTXTCJHKAU-CYBMUJFWSA-N 0 0 302.378 3.357 20 10 DGCDRN O=C(CCCC(=O)C1CC1)NCc1ccc(N2CCCC2)cc1 ZINC000822495864 628457621 /nfs/dbraw/zinc/45/76/21/628457621.db2.gz QVUKEIOAERMUOC-UHFFFAOYSA-N 0 0 314.429 3.052 20 10 DGCDRN Cc1cc(Cl)cc(CNc2ccc(COCCO)cc2)c1O ZINC000822520836 628460800 /nfs/dbraw/zinc/46/08/00/628460800.db2.gz PYRWDZQFXXLSGN-UHFFFAOYSA-N 0 0 321.804 3.475 20 10 DGCDRN CCN(Cc1nc(C(F)F)no1)c1ccc(OC)c(OC)c1 ZINC000822711259 628482504 /nfs/dbraw/zinc/48/25/04/628482504.db2.gz CYWWJXGUXHZINC-UHFFFAOYSA-N 0 0 313.304 3.051 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1(C)CC=CC1 ZINC000822831625 628499852 /nfs/dbraw/zinc/49/98/52/628499852.db2.gz GCARXQSEQOZZJC-HNNXBMFYSA-N 0 0 300.446 3.465 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCc1ccon1 ZINC000822898235 628507253 /nfs/dbraw/zinc/50/72/53/628507253.db2.gz LCLGPGFZIHYWFP-UHFFFAOYSA-N 0 0 315.417 3.110 20 10 DGCDRN CC(C)[C@@H]1N(C(=O)c2ccc(N=NC(N)=O)cc2)CC1(C)C ZINC000823139427 628530015 /nfs/dbraw/zinc/53/00/15/628530015.db2.gz QHNWSNCZTOUIGM-ZDUSSCGKSA-N 0 0 302.378 3.356 20 10 DGCDRN CCn1cc(N(CC(C)C)C(=O)/C=C/c2ccc(C)nc2)cn1 ZINC000823430668 628561233 /nfs/dbraw/zinc/56/12/33/628561233.db2.gz RJMFAHFEVKXOEU-CMDGGOBGSA-N 0 0 312.417 3.309 20 10 DGCDRN CCn1cc(N(CC(C)C)C(=O)/C=C/c2scnc2C)cn1 ZINC000823430428 628561343 /nfs/dbraw/zinc/56/13/43/628561343.db2.gz MSQKJMUWALQQLU-VOTSOKGWSA-N 0 0 318.446 3.370 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[C@H](C)C1 ZINC000840479625 628564087 /nfs/dbraw/zinc/56/40/87/628564087.db2.gz PWJSIIUKKRSIMO-DZGCQCFKSA-N 0 0 303.450 3.043 20 10 DGCDRN CCOC(=O)CN(C/C(Cl)=C/Cl)Cc1ccccc1O ZINC000823575957 628575897 /nfs/dbraw/zinc/57/58/97/628575897.db2.gz FQBXHYXSXVBVIG-GHXNOFRVSA-N 0 0 318.200 3.076 20 10 DGCDRN Cc1cnc(CNCc2ccc(N3CCSCC3)cc2)s1 ZINC000823666312 628585258 /nfs/dbraw/zinc/58/52/58/628585258.db2.gz JNGICOIWOWYVJS-UHFFFAOYSA-N 0 0 319.499 3.295 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCC(F)(F)C(C)(C)C ZINC000823834444 628601158 /nfs/dbraw/zinc/60/11/58/628601158.db2.gz DWNISZHRHIHGRY-UHFFFAOYSA-N 0 0 300.349 3.215 20 10 DGCDRN CC(C)[C@H]1C[C@H](C(=O)NCc2cc(Cl)ccc2O)CCO1 ZINC000823986248 628616244 /nfs/dbraw/zinc/61/62/44/628616244.db2.gz IQDXLJVQAKNHQA-IAQYHMDHSA-N 0 0 311.809 3.113 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@H]1C1CC1 ZINC000840484123 628619918 /nfs/dbraw/zinc/61/99/18/628619918.db2.gz MXZBPHIQLJGELQ-KSSFIOAISA-N 0 0 315.461 3.186 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NCC2CCC(F)CC2)cc1 ZINC000824136748 628630489 /nfs/dbraw/zinc/63/04/89/628630489.db2.gz MLRMAQKDBMKLED-UHFFFAOYSA-N 0 0 306.341 3.107 20 10 DGCDRN O=C(Cc1csc(C2CC2)n1)NCc1cc(Cl)ccc1O ZINC000824214084 628637977 /nfs/dbraw/zinc/63/79/77/628637977.db2.gz WPTFQQYXOAJXKU-UHFFFAOYSA-N 0 0 322.817 3.238 20 10 DGCDRN CCOC1(C(=O)N(CC)Cc2ccc(N(C)C)cc2)CCC1 ZINC000824234855 628640957 /nfs/dbraw/zinc/64/09/57/628640957.db2.gz VCNIZCQALFBFQV-UHFFFAOYSA-N 0 0 304.434 3.060 20 10 DGCDRN CCC[C@H](CC)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000824380144 628656487 /nfs/dbraw/zinc/65/64/87/628656487.db2.gz PSQFADXPDNWACE-LSDHHAIUSA-N 0 0 304.434 3.216 20 10 DGCDRN CC[C@@H](COCC(F)(F)F)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000824555600 628670845 /nfs/dbraw/zinc/67/08/45/628670845.db2.gz VNMADCYCXDCQSM-JTQLQIEISA-N 0 0 311.731 3.493 20 10 DGCDRN CCCn1ncc(NCc2cccc(OC)c2O)c1C1CC1 ZINC000824630421 628678761 /nfs/dbraw/zinc/67/87/61/628678761.db2.gz NMNUPUOXTBJEGO-UHFFFAOYSA-N 0 0 301.390 3.497 20 10 DGCDRN CCCN(Cc1cn(C2CCC2)nn1)Cc1ccccc1O ZINC000824649724 628679892 /nfs/dbraw/zinc/67/98/92/628679892.db2.gz HPMCMWQNZNZZFQ-UHFFFAOYSA-N 0 0 300.406 3.121 20 10 DGCDRN CC[C@H]1CCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000824653767 628680534 /nfs/dbraw/zinc/68/05/34/628680534.db2.gz HHYWCALRKJLXMM-RYUDHWBXSA-N 0 0 308.378 3.225 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCCC3(CC3)C2)cc1F ZINC000824670001 628682319 /nfs/dbraw/zinc/68/23/19/628682319.db2.gz SSKLHQMFKRUHFH-CQSZACIVSA-N 0 0 304.409 3.478 20 10 DGCDRN CCC(C)(C)NC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000824685486 628684244 /nfs/dbraw/zinc/68/42/44/628684244.db2.gz FKKXRCHXKQTUMQ-CQSZACIVSA-N 0 0 319.449 3.009 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000824723074 628687672 /nfs/dbraw/zinc/68/76/72/628687672.db2.gz ZYGCZFHAPFBVLG-GLQYFDAESA-N 0 0 313.800 3.310 20 10 DGCDRN Cc1cc(Cl)cc(CNCc2nn(C)cc2Cl)c1O ZINC000824758062 628690156 /nfs/dbraw/zinc/69/01/56/628690156.db2.gz HKEKVJLDBLUZNH-UHFFFAOYSA-N 0 0 300.189 3.031 20 10 DGCDRN C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H](C)C1(F)F ZINC000824856504 628700437 /nfs/dbraw/zinc/70/04/37/628700437.db2.gz FSAGQKQENJVANI-UWVGGRQHSA-N 0 0 324.331 3.212 20 10 DGCDRN CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000825040991 628719348 /nfs/dbraw/zinc/71/93/48/628719348.db2.gz XPAVCJADHLTMPK-MFKMUULPSA-N 0 0 315.772 3.006 20 10 DGCDRN CC1(C)CCCN1CC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000825325606 628749732 /nfs/dbraw/zinc/74/97/32/628749732.db2.gz GCIRHQMXJRDCQD-UHFFFAOYSA-N 0 0 300.805 3.149 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H](CCCO)C1 ZINC000825338396 628751467 /nfs/dbraw/zinc/75/14/67/628751467.db2.gz QCPSJLVGZGAQIX-JTQLQIEISA-N 0 0 304.217 3.293 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)[C@@H]3CCC3(C)C)CC2)cc1 ZINC000825425562 628759784 /nfs/dbraw/zinc/75/97/84/628759784.db2.gz CBYLOWBVCRFZPB-KRWDZBQOSA-N 0 0 316.445 3.216 20 10 DGCDRN CCN(CCc1cccs1)C(=O)c1c(F)ccc(O)c1O ZINC000825432943 628760960 /nfs/dbraw/zinc/76/09/60/628760960.db2.gz SXRAOLIDJFZIFG-UHFFFAOYSA-N 0 0 309.362 3.003 20 10 DGCDRN C[C@H]1CCN(Cc2ccc(Br)cc2O)C[C@@H]1F ZINC000825440811 628762139 /nfs/dbraw/zinc/76/21/39/628762139.db2.gz LDOORQMCGDKLGI-CABZTGNLSA-N 0 0 302.187 3.335 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C(=O)[O-])C1)c1ccc(N(C)C)cc1 ZINC000825464025 628764306 /nfs/dbraw/zinc/76/43/06/628764306.db2.gz BJJXXGWNANFZLQ-DZKIICNBSA-N 0 0 319.449 3.182 20 10 DGCDRN Cc1ncc(CN2CCCc3cc(OC(F)F)ccc32)n1C ZINC000825509134 628770238 /nfs/dbraw/zinc/77/02/38/628770238.db2.gz FPWHMZRGXRLMIT-UHFFFAOYSA-N 0 0 307.344 3.283 20 10 DGCDRN COc1cc(CN2CCOCC23CC3)c(O)c(C(C)(C)C)c1 ZINC000825803592 628799563 /nfs/dbraw/zinc/79/95/63/628799563.db2.gz CCORJJCDDJZDHB-UHFFFAOYSA-N 0 0 305.418 3.063 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C1(C(F)(F)F)CCC1 ZINC000825873911 628806324 /nfs/dbraw/zinc/80/63/24/628806324.db2.gz QJGLNQVFAIAQNQ-UHFFFAOYSA-N 0 0 314.351 3.410 20 10 DGCDRN CC[C@@H]1CN(Cc2cc(Cl)c(C)cc2O)C[C@H](C)[S@]1=O ZINC000825886828 628807457 /nfs/dbraw/zinc/80/74/57/628807457.db2.gz QQVPFVHTYVVBCR-SZZPBAKOSA-N 0 0 315.866 3.085 20 10 DGCDRN Cc1cc(O)c(CNCc2nn(C)cc2Cl)cc1Cl ZINC000826054592 628823737 /nfs/dbraw/zinc/82/37/37/628823737.db2.gz ZCJNZRZJTIIZHL-UHFFFAOYSA-N 0 0 300.189 3.031 20 10 DGCDRN CC[C@@H](C)C[C@H](CO)[NH2+]Cc1cccc(Br)c1[O-] ZINC000842755369 628836125 /nfs/dbraw/zinc/83/61/25/628836125.db2.gz XYCGRGUXAPGZRF-ZYHUDNBSSA-N 0 0 316.239 3.041 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1CCS[C@H]1C)c1ccc(N(C)C)cc1 ZINC000826532601 628856490 /nfs/dbraw/zinc/85/64/90/628856490.db2.gz WJIMSYFMCWUCHN-HUBLWGQQSA-N 0 0 307.463 3.007 20 10 DGCDRN CC[C@H]1CN(C(=O)/C=C(\C)c2cnccn2)c2ccccc2O1 ZINC000826559233 628859286 /nfs/dbraw/zinc/85/92/86/628859286.db2.gz IJFUMAPCYRDXRK-UELRPHRMSA-N 0 0 309.369 3.084 20 10 DGCDRN C[C@H](CNC(=O)NCCCSc1nccs1)CC(F)F ZINC000826692457 628873606 /nfs/dbraw/zinc/87/36/06/628873606.db2.gz HXRYNDNBSNQDOY-VIFPVBQESA-N 0 0 323.434 3.216 20 10 DGCDRN CC(C)(C)N1CC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000826867051 628897286 /nfs/dbraw/zinc/89/72/86/628897286.db2.gz GFBYYKFPVGFJQC-NSHDSACASA-N 0 0 300.805 3.147 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000827179448 628932744 /nfs/dbraw/zinc/93/27/44/628932744.db2.gz YBDBPZDNHSJUPS-GJZGRUSLSA-N 0 0 307.752 3.453 20 10 DGCDRN Cc1ncccc1/C=C\C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000827324093 628949744 /nfs/dbraw/zinc/94/97/44/628949744.db2.gz YUKPOLLFYWRKQX-LUAWRHEFSA-N 0 0 322.408 3.304 20 10 DGCDRN CC(C)c1nnc(N(Cc2ccc(N(C)C)cc2)C2CC2)o1 ZINC000827430754 628958077 /nfs/dbraw/zinc/95/80/77/628958077.db2.gz RWTUQTKQSNKNEQ-UHFFFAOYSA-N 0 0 300.406 3.428 20 10 DGCDRN CC(C)c1nnc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000827457886 628961414 /nfs/dbraw/zinc/96/14/14/628961414.db2.gz KKEQIDOMSXISRC-ZDUSSCGKSA-N 0 0 316.405 3.203 20 10 DGCDRN COc1cccc(CNC(=O)NC[C@@H]2CC3CCC2CC3)c1O ZINC000827464227 628961805 /nfs/dbraw/zinc/96/18/05/628961805.db2.gz YIDFOZKJZVOITP-PIMMBPRGSA-N 0 0 318.417 3.026 20 10 DGCDRN O=C(NCCCSc1nccs1)c1ccc(F)s1 ZINC000827474648 628962446 /nfs/dbraw/zinc/96/24/46/628962446.db2.gz HXACVUADFPJFKZ-UHFFFAOYSA-N 0 0 302.421 3.256 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCCC1(COC)CC1 ZINC000827513697 628967095 /nfs/dbraw/zinc/96/70/95/628967095.db2.gz NDWRIRJWCJSUTL-UHFFFAOYSA-N 0 0 320.433 3.131 20 10 DGCDRN CNC(=O)CC1(C[NH2+]Cc2cccc(Cl)c2[O-])CCCCC1 ZINC000827594265 628974853 /nfs/dbraw/zinc/97/48/53/628974853.db2.gz FKTMVUNNKSCDCA-UHFFFAOYSA-N 0 0 324.852 3.222 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CCC[C@H](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000827627009 628977915 /nfs/dbraw/zinc/97/79/15/628977915.db2.gz LUFUZIFZHYOPIY-ZDUSSCGKSA-N 0 0 320.389 3.321 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN[C@H](CO)c1ccc(F)cc1F ZINC000827715081 628984764 /nfs/dbraw/zinc/98/47/64/628984764.db2.gz HGNSKDYWMGMBFZ-GOSISDBHSA-N 0 0 320.383 3.162 20 10 DGCDRN C[C@H]1CN(Cc2cc(F)ccc2O)C[C@@H](CC(F)(F)F)O1 ZINC000827787109 628991012 /nfs/dbraw/zinc/99/10/12/628991012.db2.gz MIOJUKQUNMDJQU-JOYOIKCWSA-N 0 0 307.287 3.073 20 10 DGCDRN CCc1cccc(CN2C[C@H](C)O[C@@H](CC(F)(F)F)C2)c1O ZINC000827785980 628991126 /nfs/dbraw/zinc/99/11/26/628991126.db2.gz FJNSVYYDUILESI-FZMZJTMJSA-N 0 0 317.351 3.496 20 10 DGCDRN Cc1cc(C(=O)CN(C)C2CCC2)c(C)n1-c1ccc(F)cn1 ZINC000827900746 629001823 /nfs/dbraw/zinc/00/18/23/629001823.db2.gz SPBIBCJWGXFVQB-UHFFFAOYSA-N 0 0 315.392 3.295 20 10 DGCDRN C[C@@H](NC(=O)C1C[C@H]2CCCC[C@@H](C1)C2=O)c1ccccc1O ZINC000827916406 629003136 /nfs/dbraw/zinc/00/31/36/629003136.db2.gz HCBOGDWAFCJSLQ-JKXDFHQYSA-N 0 0 315.413 3.355 20 10 DGCDRN C[C@@H](NC(=O)CCC(=O)c1cccs1)c1ccccc1O ZINC000827915887 629003421 /nfs/dbraw/zinc/00/34/21/629003421.db2.gz CVYGEEXJIGRBGP-LLVKDONJSA-N 0 0 303.383 3.294 20 10 DGCDRN C[C@@H](NC(=O)[C@H](C)N1CCc2ccccc2C1)c1ccccc1O ZINC000827937299 629005404 /nfs/dbraw/zinc/00/54/04/629005404.db2.gz RBSNOXPBGJAAMH-CABCVRRESA-N 0 0 324.424 3.016 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCSC[C@H]1c1ccccc1 ZINC000827935493 629005491 /nfs/dbraw/zinc/00/54/91/629005491.db2.gz YRDUIBRIYSWDIU-ZDUSSCGKSA-N 0 0 305.424 3.384 20 10 DGCDRN C[C@@H](NC(=O)Cc1cc(C(F)(F)F)ccn1)c1ccccc1O ZINC000827946486 629006698 /nfs/dbraw/zinc/00/66/98/629006698.db2.gz JUTVFWIJLVLNSP-SNVBAGLBSA-N 0 0 324.302 3.226 20 10 DGCDRN C[C@@H](NC(=O)c1ccccc1NC(=O)C1CC1)c1ccccc1O ZINC000827952280 629006859 /nfs/dbraw/zinc/00/68/59/629006859.db2.gz MIIZVYIJEGNLFY-GFCCVEGCSA-N 0 0 324.380 3.232 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CCCc1cccnc1 ZINC000827956106 629007592 /nfs/dbraw/zinc/00/75/92/629007592.db2.gz OEUFNZPQHDTQPT-UHFFFAOYSA-N 0 0 311.429 3.095 20 10 DGCDRN COc1cccc(C(=O)NCc2ccc(N(C)C)cc2C)c1C ZINC000827955435 629007716 /nfs/dbraw/zinc/00/77/16/629007716.db2.gz IDMVRKPILGOHSZ-UHFFFAOYSA-N 0 0 312.413 3.308 20 10 DGCDRN COc1ccc([C@@H]2C[C@H]2C(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000827960651 629008057 /nfs/dbraw/zinc/00/80/57/629008057.db2.gz UANONJLTZRGDJV-AFAVFJNCSA-N 0 0 311.381 3.382 20 10 DGCDRN C[C@H](NC(=O)CCCCC(=O)OC(C)(C)C)c1ccccc1O ZINC000827960768 629008346 /nfs/dbraw/zinc/00/83/46/629008346.db2.gz WVIZFZSFAWFTOL-ZDUSSCGKSA-N 0 0 321.417 3.472 20 10 DGCDRN CCOc1ccc(O)c(CN2C[C@@H](C)O[C@@](C)(C(F)F)C2)c1 ZINC000827962813 629008741 /nfs/dbraw/zinc/00/87/41/629008741.db2.gz UECNFNVPISEDAO-BDJLRTHQSA-N 0 0 315.360 3.035 20 10 DGCDRN CC(C)Oc1ccc(C(=O)N[C@@H](C)c2ccccc2O)nc1 ZINC000827969400 629009475 /nfs/dbraw/zinc/00/94/75/629009475.db2.gz LJDDKBNKZFYIMO-LBPRGKRZSA-N 0 0 300.358 3.065 20 10 DGCDRN CCc1c(C(=O)N[C@@H](C)c2ccccc2O)cnn1CC(C)C ZINC000827972888 629009869 /nfs/dbraw/zinc/00/98/69/629009869.db2.gz CCUDVVXXPLPEKQ-ZDUSSCGKSA-N 0 0 315.417 3.298 20 10 DGCDRN C[C@H](NC(=O)CCc1ncc(C(C)(C)C)o1)c1ccccc1O ZINC000827970087 629009985 /nfs/dbraw/zinc/00/99/85/629009985.db2.gz VXWBYZBCCFGZLR-LBPRGKRZSA-N 0 0 316.401 3.488 20 10 DGCDRN COc1ccc(N(C)C[C@H](O)[C@H](C)c2ccccc2)cc1F ZINC000828040675 629017424 /nfs/dbraw/zinc/01/74/24/629017424.db2.gz LIYYBTKNCNUNFG-DYVFJYSZSA-N 0 0 303.377 3.435 20 10 DGCDRN CCOc1ccc(N(CC)Cc2nc(C(=O)OC)cs2)cc1 ZINC000828194693 629031722 /nfs/dbraw/zinc/03/17/22/629031722.db2.gz RIWORZGPBCTNLW-UHFFFAOYSA-N 0 0 320.414 3.355 20 10 DGCDRN COc1ccc(N(CC[S@](C)=O)Cc2cccs2)cc1 ZINC000828273511 629040844 /nfs/dbraw/zinc/04/08/44/629040844.db2.gz MDIHFTBUHBCZBM-FQEVSTJZSA-N 0 0 309.456 3.142 20 10 DGCDRN CC(C)Cc1ncc(C(=O)N2Cc3cccc(O)c3C2)s1 ZINC000828328538 629045081 /nfs/dbraw/zinc/04/50/81/629045081.db2.gz YHEVQFXAZRIPMS-UHFFFAOYSA-N 0 0 302.399 3.203 20 10 DGCDRN CC(C)Oc1ccc(N(C)Cc2nc(C3CC3)nn2C)cc1 ZINC000828427616 629053235 /nfs/dbraw/zinc/05/32/35/629053235.db2.gz OUQDKVOAMJSDGB-UHFFFAOYSA-N 0 0 300.406 3.116 20 10 DGCDRN CCn1nc(C)c(CSc2ncc(-c3ccccc3)n2C)n1 ZINC000828808127 629095239 /nfs/dbraw/zinc/09/52/39/629095239.db2.gz GKLKYVGZRPKPJP-UHFFFAOYSA-N 0 0 313.430 3.299 20 10 DGCDRN CC(C)c1ncsc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000828885037 629105312 /nfs/dbraw/zinc/10/53/12/629105312.db2.gz RTCYJCFBOPYIEG-JTQLQIEISA-N 0 0 320.414 3.039 20 10 DGCDRN COC(=O)c1csc(CN(C)c2ccc(OC(C)C)cc2)n1 ZINC000829233958 629143095 /nfs/dbraw/zinc/14/30/95/629143095.db2.gz HLWNIKWWJDJSEC-UHFFFAOYSA-N 0 0 320.414 3.353 20 10 DGCDRN CCn1nc(C)c(C(=O)CSc2ncc(C(C)(C)C)s2)n1 ZINC000829298563 629147041 /nfs/dbraw/zinc/14/70/41/629147041.db2.gz SSTCGEVGFBBNQY-UHFFFAOYSA-N 0 0 324.475 3.335 20 10 DGCDRN COC(=O)c1cnc(SCCc2ccc(OC)cc2)s1 ZINC000829692375 629183167 /nfs/dbraw/zinc/18/31/67/629183167.db2.gz KMOIPALYZRRUTF-UHFFFAOYSA-N 0 0 309.412 3.273 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)CCC[C@@H](O)c1ccccc1 ZINC000830141750 629229682 /nfs/dbraw/zinc/22/96/82/629229682.db2.gz XQDVDNJDTTYWAH-QGZVFWFLSA-N 0 0 313.397 3.255 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(CC)c[nH]c1=O ZINC000830147166 629230649 /nfs/dbraw/zinc/23/06/49/629230649.db2.gz POHNEVUPSBUUIZ-UHFFFAOYSA-N 0 0 314.385 3.108 20 10 DGCDRN O=C(C1CC2(CC2)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000830900414 629318460 /nfs/dbraw/zinc/31/84/60/629318460.db2.gz XKXCNVAWRGYMAH-INIZCTEOSA-N 0 0 315.413 3.090 20 10 DGCDRN COc1ccc(N(Cc2cc(=O)c(OC)co2)CC2CC2)cc1 ZINC000831588151 629393982 /nfs/dbraw/zinc/39/39/82/629393982.db2.gz UEKKMOKVBHYGLQ-UHFFFAOYSA-N 0 0 315.369 3.074 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCC2(CC2)C1 ZINC000831923945 629428931 /nfs/dbraw/zinc/42/89/31/629428931.db2.gz AFJTVJLMVXEZLS-GXTWGEPZSA-N 0 0 303.402 3.115 20 10 DGCDRN O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)NCc1cc(Br)ccc1O ZINC000831932915 629429448 /nfs/dbraw/zinc/42/94/48/629429448.db2.gz MFPKVJUJWDXHSH-NRUUGDAUSA-N 0 0 324.218 3.207 20 10 DGCDRN COc1ccc2c(c1)CCC[C@H]2CNC(=O)Cc1ccc(N)cc1 ZINC000831982206 629433126 /nfs/dbraw/zinc/43/31/26/629433126.db2.gz JMNFAWVQOOEKKI-INIZCTEOSA-N 0 0 324.424 3.056 20 10 DGCDRN CC(C)[C@@H](CNC(=O)Cc1ccc(N)cc1)Cc1ccccc1 ZINC000832172819 629448114 /nfs/dbraw/zinc/44/81/14/629448114.db2.gz KPYYUNYIKILRTF-GOSISDBHSA-N 0 0 310.441 3.442 20 10 DGCDRN C[C@@H](NC(=O)CCCc1cccnc1)c1ccc(N(C)C)cc1 ZINC000832436861 629480288 /nfs/dbraw/zinc/48/02/88/629480288.db2.gz RWVCTSJJGUJWTM-OAHLLOKOSA-N 0 0 311.429 3.348 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC[C@H](C)CCO)cc1 ZINC000833224021 629572289 /nfs/dbraw/zinc/57/22/89/629572289.db2.gz ZIDWJVPWXJIDFF-AWEZNQCLSA-N 0 0 314.429 3.233 20 10 DGCDRN CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000833662665 629637680 /nfs/dbraw/zinc/63/76/80/629637680.db2.gz JQQXWEIIDKEWRS-CQSZACIVSA-N 0 0 321.417 3.114 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)CCCCO ZINC000833696868 629642394 /nfs/dbraw/zinc/64/23/94/629642394.db2.gz ZIYMHLJMRUCYPA-LBPRGKRZSA-N 0 0 320.458 3.437 20 10 DGCDRN O=C([O-])Nc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000834263055 629683075 /nfs/dbraw/zinc/68/30/75/629683075.db2.gz PDZBMCBPKREKAZ-KRWDZBQOSA-N 0 0 324.380 3.489 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C(=O)NC(C)(C)C ZINC000101595765 629743615 /nfs/dbraw/zinc/74/36/15/629743615.db2.gz VEUWOTDEEJBKSW-QMMMGPOBSA-N 0 0 319.232 3.092 20 10 DGCDRN C[C@@H]([NH2+]CCC(C)(C)CO)c1cccc(C(F)(F)F)c1[O-] ZINC000834872603 629794487 /nfs/dbraw/zinc/79/44/87/629794487.db2.gz ZLRFEUWVNSGQKI-SNVBAGLBSA-N 0 0 305.340 3.470 20 10 DGCDRN C[C@@H]1C[C@H](NCc2nn(C)cc2Cl)c2c1c(F)ccc2O ZINC000834882137 629796888 /nfs/dbraw/zinc/79/68/88/629796888.db2.gz GAQLLRLDYPISOK-KCJUWKMLSA-N 0 0 309.772 3.256 20 10 DGCDRN C[C@@H]([NH2+]CCC1(CO)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000834896262 629801198 /nfs/dbraw/zinc/80/11/98/629801198.db2.gz JCTAVEWMVZOZIU-SNVBAGLBSA-N 0 0 303.324 3.224 20 10 DGCDRN CC[C@H]([NH2+][C@H](C)CC(=O)NC)c1cc(Cl)cc(Cl)c1[O-] ZINC000834901564 629802786 /nfs/dbraw/zinc/80/27/86/629802786.db2.gz WASNRZSGGUGERC-PELKAZGASA-N 0 0 319.232 3.264 20 10 DGCDRN C[C@@H]([NH2+][C@H]1COCC1(C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000834903932 629803721 /nfs/dbraw/zinc/80/37/21/629803721.db2.gz MGZOPFBYMUDYEK-SKDRFNHKSA-N 0 0 303.324 3.487 20 10 DGCDRN C[C@H]([NH2+]CCOCC1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834909215 629805717 /nfs/dbraw/zinc/80/57/17/629805717.db2.gz JXNRHWSCGKHYFN-LBPRGKRZSA-N 0 0 308.378 3.158 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834911001 629806769 /nfs/dbraw/zinc/80/67/69/629806769.db2.gz QXSOQHBJARFADG-VXGBXAGGSA-N 0 0 308.378 3.156 20 10 DGCDRN CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000834912859 629807437 /nfs/dbraw/zinc/80/74/37/629807437.db2.gz MUXKAJHDIIETRF-XGWLTEMNSA-N 0 0 321.417 3.177 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCOC(C)(C)C2)c1 ZINC000834913061 629807551 /nfs/dbraw/zinc/80/75/51/629807551.db2.gz YXQVEDUPUMRXLJ-STQMWFEESA-N 0 0 321.417 3.035 20 10 DGCDRN CN(C)c1ccc(/C=C/CN2CCO[C@H](c3ccco3)C2)cc1 ZINC000835027973 629829184 /nfs/dbraw/zinc/82/91/84/629829184.db2.gz HUGOUPQXWQQPOO-JUGMSXHOSA-N 0 0 312.413 3.432 20 10 DGCDRN CCOC(=O)[C@H](CC1CC1)NC/C=C\c1ccc(N(C)C)cc1 ZINC000835047359 629835690 /nfs/dbraw/zinc/83/56/90/629835690.db2.gz GNBJNMCUMINJCH-XFHJGTJQSA-N 0 0 316.445 3.087 20 10 DGCDRN CCOC(=O)[C@@H](CC1CC1)NC/C=C\c1ccc(N(C)C)cc1 ZINC000835047357 629835925 /nfs/dbraw/zinc/83/59/25/629835925.db2.gz GNBJNMCUMINJCH-OOFWQKGWSA-N 0 0 316.445 3.087 20 10 DGCDRN C[C@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)OC1CCCC1 ZINC000835049634 629836135 /nfs/dbraw/zinc/83/61/35/629836135.db2.gz HFUOSEPUBSEHNX-LFAOLKIESA-N 0 0 316.445 3.230 20 10 DGCDRN CN(C)c1ccc(/C=C\CNCc2nccc(C(F)F)n2)cc1 ZINC000835054472 629838720 /nfs/dbraw/zinc/83/87/20/629838720.db2.gz VXKKAAIRXDYRIR-ARJAWSKDSA-N 0 0 318.371 3.283 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NCC[C@H](C)F)cc1F ZINC000836291843 630094450 /nfs/dbraw/zinc/09/44/50/630094450.db2.gz XRADCVWDOAAUGO-LBPRGKRZSA-N 0 0 313.392 3.219 20 10 DGCDRN COC1(CCNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC000836405247 630110139 /nfs/dbraw/zinc/11/01/39/630110139.db2.gz ATXXGGPARVYHNA-AWEZNQCLSA-N 0 0 319.449 3.072 20 10 DGCDRN COc1ccc(CNC(=O)NC[C@H]2CCCC2(C)C)c(O)c1 ZINC000836492081 630121689 /nfs/dbraw/zinc/12/16/89/630121689.db2.gz CQJKMXHNTYMOHL-CYBMUJFWSA-N 0 0 306.406 3.026 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1=CCC(C)(C)CC1 ZINC000836781669 630161705 /nfs/dbraw/zinc/16/17/05/630161705.db2.gz OETOXGAKVHARKR-GFCCVEGCSA-N 0 0 303.402 3.282 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@@H](C)C(C)(C)O)cc1 ZINC000836811719 630166894 /nfs/dbraw/zinc/16/68/94/630166894.db2.gz MUYSVAITEAWSHS-HNNXBMFYSA-N 0 0 314.429 3.326 20 10 DGCDRN COc1ccc2c(c1)CCC[C@@H]2CC(=O)NCc1ccc(N)cc1 ZINC000837302785 630237389 /nfs/dbraw/zinc/23/73/89/630237389.db2.gz GSOXXPKJEYOCNZ-MRXNPFEDSA-N 0 0 324.424 3.404 20 10 DGCDRN COCC1(C(=O)NCc2ccc(N3CCCC3)cc2)CCCC1 ZINC000837342041 630243999 /nfs/dbraw/zinc/24/39/99/630243999.db2.gz OOTMTPCWUXVHGR-UHFFFAOYSA-N 0 0 316.445 3.110 20 10 DGCDRN CC[C@@H](CC(F)F)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000837377934 630250170 /nfs/dbraw/zinc/25/01/70/630250170.db2.gz NYHXPEAEPHMFJJ-ZDUSSCGKSA-N 0 0 310.388 3.367 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)/C=C\c1cccnc1 ZINC000840558559 630337892 /nfs/dbraw/zinc/33/78/92/630337892.db2.gz ZDMFWENYXJBESV-BJIFSAINSA-N 0 0 323.440 3.217 20 10 DGCDRN COc1ccc(NC(=S)NCc2ccc(C)c(C)n2)cc1 ZINC000840844433 630365925 /nfs/dbraw/zinc/36/59/25/630365925.db2.gz RTETXEIVXIZBLN-UHFFFAOYSA-N 0 0 301.415 3.194 20 10 DGCDRN CO[C@@](C)([C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000840859946 630368321 /nfs/dbraw/zinc/36/83/21/630368321.db2.gz QKKRFYJZESWWOB-GDLVEWKHSA-N 0 0 308.378 3.155 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000840878957 630370633 /nfs/dbraw/zinc/37/06/33/630370633.db2.gz AHRPAUOPAYETQO-YPMHNXCESA-N 0 0 307.340 3.097 20 10 DGCDRN Cc1noc(-c2ccc(NCc3ccc(N(C)C)cc3C)cn2)n1 ZINC000840886095 630372342 /nfs/dbraw/zinc/37/23/42/630372342.db2.gz NOXVOKMCAPCAPJ-UHFFFAOYSA-N 0 0 323.400 3.427 20 10 DGCDRN CN1CCCc2cc(CNC(=O)CCCc3ccccn3)ccc21 ZINC000104049112 630376793 /nfs/dbraw/zinc/37/67/93/630376793.db2.gz BOSBTAGRDDJLQG-UHFFFAOYSA-N 0 0 323.440 3.103 20 10 DGCDRN COC[C@H](C)n1ccc(NCc2c(O)cc(C)cc2Cl)n1 ZINC000840938037 630381117 /nfs/dbraw/zinc/38/11/17/630381117.db2.gz CJNBZFBKFGNHFB-NSHDSACASA-N 0 0 309.797 3.370 20 10 DGCDRN Cc1cc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])nn1C ZINC000840945238 630382212 /nfs/dbraw/zinc/38/22/12/630382212.db2.gz FUQLKRFQTOLGIL-UHFFFAOYSA-N 0 0 300.189 3.031 20 10 DGCDRN CNC(=O)Oc1cccc(NCc2ccc(N(C)C)cc2C)c1 ZINC000840950235 630383314 /nfs/dbraw/zinc/38/33/14/630383314.db2.gz KZUMZPQGAZNREM-UHFFFAOYSA-N 0 0 313.401 3.391 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000840956713 630384896 /nfs/dbraw/zinc/38/48/96/630384896.db2.gz CSLURHRDQUVURS-GDBMZVCRSA-N 0 0 321.779 3.493 20 10 DGCDRN CN(C)c1ccc(/C=C\CNc2cccc3c2CN(C)C3=O)cc1 ZINC000840958298 630386222 /nfs/dbraw/zinc/38/62/22/630386222.db2.gz QDQKTJIIEKCVIB-WAYWQWQTSA-N 0 0 321.424 3.464 20 10 DGCDRN O=C([O-])C[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000840996956 630392497 /nfs/dbraw/zinc/39/24/97/630392497.db2.gz CKVPVKFFMNDTCD-QGZVFWFLSA-N 0 0 316.445 3.364 20 10 DGCDRN CCC[C@H](NC(=O)C(=O)Nc1ccc(N)cc1)C1CCCCC1 ZINC000841028258 630397996 /nfs/dbraw/zinc/39/79/96/630397996.db2.gz NVKZNPPMQWFZFD-INIZCTEOSA-N 0 0 317.433 3.073 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000841069286 630404488 /nfs/dbraw/zinc/40/44/88/630404488.db2.gz RXIAQOXHUUEYNW-HNNXBMFYSA-N 0 0 320.795 3.161 20 10 DGCDRN C[C@H](NC(=O)C1SCCCS1)c1ccc(N(C)C)cc1 ZINC000841187536 630414825 /nfs/dbraw/zinc/41/48/25/630414825.db2.gz XOWVLYDBHUCZRR-NSHDSACASA-N 0 0 310.488 3.126 20 10 DGCDRN COCc1ccc([C@H]2CCCN2C(=O)Nc2ccc(N)cc2)o1 ZINC000841296614 630424045 /nfs/dbraw/zinc/42/40/45/630424045.db2.gz WFWKKOKZIOJHRE-OAHLLOKOSA-N 0 0 315.373 3.377 20 10 DGCDRN Nc1ccc(NC(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000841296139 630424086 /nfs/dbraw/zinc/42/40/86/630424086.db2.gz PCYDKNVWQSAMJJ-DLBZAZTESA-N 0 0 311.385 3.311 20 10 DGCDRN Nc1ccc(NC(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000841296140 630424244 /nfs/dbraw/zinc/42/42/44/630424244.db2.gz PCYDKNVWQSAMJJ-IAGOWNOFSA-N 0 0 311.385 3.311 20 10 DGCDRN COc1ccc(C[C@@H](C)CNC(=O)Nc2ccc(N)cc2)cc1 ZINC000841298895 630424508 /nfs/dbraw/zinc/42/45/08/630424508.db2.gz SZAZADWSVNOVEP-CYBMUJFWSA-N 0 0 313.401 3.278 20 10 DGCDRN C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)Nc1ccc(N)cc1 ZINC000841297305 630424550 /nfs/dbraw/zinc/42/45/50/630424550.db2.gz DTVWDEPBKNOUMZ-SJKOYZFVSA-N 0 0 311.385 3.125 20 10 DGCDRN Cc1cccc(OCCCNC(=O)Nc2ccc(N)cc2)c1C ZINC000841297326 630424608 /nfs/dbraw/zinc/42/46/08/630424608.db2.gz OQLSCLOBDJRLQI-UHFFFAOYSA-N 0 0 313.401 3.476 20 10 DGCDRN Nc1ccc(NC(=O)N[C@@H]2CCCN(c3ccccc3)C2)cc1 ZINC000841300812 630425092 /nfs/dbraw/zinc/42/50/92/630425092.db2.gz VMMOUHZRNBLCQC-MRXNPFEDSA-N 0 0 310.401 3.059 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](CC(C)C)OC ZINC000841385087 630435171 /nfs/dbraw/zinc/43/51/71/630435171.db2.gz PEIRBVBIBFYYNG-QGZVFWFLSA-N 0 0 306.450 3.162 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](CO)Cc1ccco1)c1ccc(Cl)cc1[O-] ZINC000841756868 630462752 /nfs/dbraw/zinc/46/27/52/630462752.db2.gz CTOBWSCSYYYTDE-VXGBXAGGSA-N 0 0 309.793 3.140 20 10 DGCDRN COc1ccc(C[NH2+]C[C@@]2(CC(=O)[O-])CC[C@@H](C)C2)cc1C ZINC000841793931 630465120 /nfs/dbraw/zinc/46/51/20/630465120.db2.gz RRGSVDIHKNUPQC-ACJLOTCBSA-N 0 0 305.418 3.374 20 10 DGCDRN Cc1cc(C)cc([C@@H](C)NC(=O)NCCc2ccc(N)cc2)c1 ZINC000841797521 630465553 /nfs/dbraw/zinc/46/55/53/630465553.db2.gz SDGXYRMWBWCEKE-OAHLLOKOSA-N 0 0 311.429 3.489 20 10 DGCDRN CCOCc1cc(C[NH2+][C@H](CC(=O)[O-])C(C)(C)C)ccc1OC ZINC000841799065 630465626 /nfs/dbraw/zinc/46/56/26/630465626.db2.gz NJSGZMIZXDEEJT-MRXNPFEDSA-N 0 0 323.433 3.211 20 10 DGCDRN COc1ccc(C[NH2+]C[C@@H](Cc2ccccc2)C(=O)[O-])cc1C ZINC000841795255 630465731 /nfs/dbraw/zinc/46/57/31/630465731.db2.gz PHRNPBVRWIXTAQ-QGZVFWFLSA-N 0 0 313.397 3.037 20 10 DGCDRN CN(C)c1ccc(C[NH2+][C@@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000841804857 630466132 /nfs/dbraw/zinc/46/61/32/630466132.db2.gz HITSHURZMAYZSM-SFHVURJKSA-N 0 0 312.413 3.448 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@H](CC2CCC2)C(=O)[O-])cc1 ZINC000841817009 630468664 /nfs/dbraw/zinc/46/86/64/630468664.db2.gz GZVIRRBJOMKYBP-QGZVFWFLSA-N 0 0 304.434 3.266 20 10 DGCDRN Cc1cc(CN(C)Cc2ccc(N3CCCCC3)cc2)n(C)n1 ZINC000841829054 630469909 /nfs/dbraw/zinc/46/99/09/630469909.db2.gz CZQHOJMGUNTIIH-UHFFFAOYSA-N 0 0 312.461 3.351 20 10 DGCDRN Cc1ccc(C[C@@H](C)NC(=O)NCCc2ccc(N)cc2)s1 ZINC000841831564 630470229 /nfs/dbraw/zinc/47/02/29/630470229.db2.gz WKLRHIVEQYJBMT-GFCCVEGCSA-N 0 0 317.458 3.112 20 10 DGCDRN Nc1ccc(CCNC(=O)NCC2CC(c3ccccc3)C2)cc1 ZINC000841905874 630474686 /nfs/dbraw/zinc/47/46/86/630474686.db2.gz UCDULYWPTAPXIZ-UHFFFAOYSA-N 0 0 323.440 3.304 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)cc1 ZINC000841956317 630476816 /nfs/dbraw/zinc/47/68/16/630476816.db2.gz BZVJFKSTBRLMCI-SFYZZRBRSA-N 0 0 313.445 3.031 20 10 DGCDRN C[C@@H](C1CCCCC1)N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841957462 630477006 /nfs/dbraw/zinc/47/70/06/630477006.db2.gz BNWSPMAGAKXKDH-AWEZNQCLSA-N 0 0 303.450 3.422 20 10 DGCDRN CC1(C)CN(C(=O)NCCc2ccc(N)cc2)c2ccccc21 ZINC000841960468 630477162 /nfs/dbraw/zinc/47/71/62/630477162.db2.gz RMYIVRAJFKGEOU-UHFFFAOYSA-N 0 0 309.413 3.319 20 10 DGCDRN C[C@H]1CCN(C(=O)NCCc2ccc(N)cc2)CC12CCC2 ZINC000841960586 630477205 /nfs/dbraw/zinc/47/72/05/630477205.db2.gz TWBJSVSILYCEOP-AWEZNQCLSA-N 0 0 301.434 3.033 20 10 DGCDRN C[C@@H]1c2ccsc2CCN1C(=O)NCCc1ccc(N)cc1 ZINC000841961580 630477263 /nfs/dbraw/zinc/47/72/63/630477263.db2.gz FIXYLXHLAABTJK-GFCCVEGCSA-N 0 0 315.442 3.202 20 10 DGCDRN CCOC(=O)c1coc(N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000842035198 630481211 /nfs/dbraw/zinc/48/12/11/630481211.db2.gz JEGWVAIVXDMVAY-NSHDSACASA-N 0 0 303.362 3.090 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cccc3c2CCC3)c1 ZINC000104900622 630573968 /nfs/dbraw/zinc/57/39/68/630573968.db2.gz QOROMLZNJKNUDG-LBPRGKRZSA-N 0 0 311.381 3.381 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)[C@H](F)C(C)C)C2)cc1 ZINC000842874282 630587954 /nfs/dbraw/zinc/58/79/54/630587954.db2.gz BKGDOKWEJILYCQ-XJKSGUPXSA-N 0 0 309.381 3.059 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)c3coc(C)c3)C2)cc1 ZINC000842875014 630587977 /nfs/dbraw/zinc/58/79/77/630587977.db2.gz JHZYJUKAAKXOQW-CQSZACIVSA-N 0 0 315.369 3.280 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)[C@H](C)C(C)C)C2)cc1 ZINC000842880280 630588584 /nfs/dbraw/zinc/58/85/84/630588584.db2.gz WCGXWEMAHDXKPN-HUUCEWRRSA-N 0 0 305.418 3.357 20 10 DGCDRN CC[C@@H]([NH2+][C@@H]1COC[C@H]1OC)c1cc(Cl)cc(Cl)c1[O-] ZINC000842911649 630593276 /nfs/dbraw/zinc/59/32/76/630593276.db2.gz KXYQHRPYXWXZCJ-JHJVBQTASA-N 0 0 320.216 3.154 20 10 DGCDRN COc1cccc(CNC(=O)Nc2ccc(C)cc2C)c1O ZINC000104969679 630600561 /nfs/dbraw/zinc/60/05/61/630600561.db2.gz LZVKERXQSQJIKP-UHFFFAOYSA-N 0 0 300.358 3.339 20 10 DGCDRN COc1ccccc1C1(c2nc(Cc3ccc(N)cc3)no2)CC1 ZINC000843160090 630623582 /nfs/dbraw/zinc/62/35/82/630623582.db2.gz VLLJFPJZTVFLTB-UHFFFAOYSA-N 0 0 321.380 3.331 20 10 DGCDRN CC1(c2noc(-c3csc(Cc4ccc(N)cc4)n3)n2)CC1 ZINC000843238369 630637593 /nfs/dbraw/zinc/63/75/93/630637593.db2.gz IIKZJMHBGJJBBR-UHFFFAOYSA-N 0 0 312.398 3.418 20 10 DGCDRN Cc1ccc2c(c1)C(=O)N[C@H](c1ccc3c(c1)CCCN3C)N2 ZINC000843274004 630640254 /nfs/dbraw/zinc/64/02/54/630640254.db2.gz VEVSDWFLZVQIPQ-GOSISDBHSA-N 0 0 307.397 3.232 20 10 DGCDRN Cc1ccc(C2(C(=O)NCCc3ccc(N)cc3)CCC2)cc1 ZINC000843342101 630647779 /nfs/dbraw/zinc/64/77/79/630647779.db2.gz IYNCEABNCILQOT-UHFFFAOYSA-N 0 0 308.425 3.358 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CCCC[C@H]2C2CCC2)ccc1[N+](=O)[O-] ZINC000843437535 630659491 /nfs/dbraw/zinc/65/94/91/630659491.db2.gz KGRNAHGZCKUDTH-AWEZNQCLSA-N 0 0 320.389 3.464 20 10 DGCDRN CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000843503300 630662778 /nfs/dbraw/zinc/66/27/78/630662778.db2.gz BPXKBSJCOYTBDF-NVXWUHKLSA-N 0 0 300.446 3.486 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@H]2CCCC[C@@H]2C2CC2)c1 ZINC000843830278 630701820 /nfs/dbraw/zinc/70/18/20/630701820.db2.gz FMHPWJSQZSOETN-CVEARBPZSA-N 0 0 303.402 3.233 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CO[C@@H](C)C1 ZINC000844104073 630709348 /nfs/dbraw/zinc/70/93/48/630709348.db2.gz CNAHQYNAVGXZEU-STQMWFEESA-N 0 0 304.415 3.063 20 10 DGCDRN Cc1cc(C(=O)N[C@H]2CO[C@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000844105226 630709543 /nfs/dbraw/zinc/70/95/43/630709543.db2.gz IKNNUJSFSRWXNW-IUODEOHRSA-N 0 0 316.376 3.140 20 10 DGCDRN CC[C@H](C(=O)NCCc1ccc(N)cc1)c1ccc(OC)cc1 ZINC000844164389 630711350 /nfs/dbraw/zinc/71/13/50/630711350.db2.gz FGDBTCUNINMIDK-SFHVURJKSA-N 0 0 312.413 3.130 20 10 DGCDRN COc1ccc(N(C)Cc2ccc3c(c2)CCC(=O)N3C)cc1 ZINC000844355349 630720770 /nfs/dbraw/zinc/72/07/70/630720770.db2.gz OBXZFZVOCMVJIG-UHFFFAOYSA-N 0 0 310.397 3.241 20 10 DGCDRN CC(C)(C)n1cc(NC(=O)NCc2cc(Cl)ccc2O)cn1 ZINC000844547284 630738418 /nfs/dbraw/zinc/73/84/18/630738418.db2.gz LLRRCLMPFBHALH-UHFFFAOYSA-N 0 0 322.796 3.319 20 10 DGCDRN CCC(C)(C)NC(=S)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844581240 630741028 /nfs/dbraw/zinc/74/10/28/630741028.db2.gz ULTVWGZTKIVJSC-UHFFFAOYSA-N 0 0 323.506 3.126 20 10 DGCDRN CCCCOCCCNC(=O)NCc1cc(Cl)ccc1O ZINC000844849719 630943012 /nfs/dbraw/zinc/94/30/12/630943012.db2.gz YJWQEKYJCPFFHM-UHFFFAOYSA-N 0 0 314.813 3.052 20 10 DGCDRN CCC1(C(=O)N(C)CCN(C)c2ccc(OC)cc2)CCC1 ZINC000844854207 630945429 /nfs/dbraw/zinc/94/54/29/630945429.db2.gz JTYXRJPTDCRXRD-UHFFFAOYSA-N 0 0 304.434 3.170 20 10 DGCDRN COc1cccc(CNC(=O)Cc2c(C)[nH]c3ccccc32)c1O ZINC000105652094 630950379 /nfs/dbraw/zinc/95/03/79/630950379.db2.gz HTXRHRFVQHVJIT-UHFFFAOYSA-N 0 0 324.380 3.049 20 10 DGCDRN C[C@H]1CCCc2ncc(-c3nc(Cc4ccc(N)cc4)no3)n21 ZINC000844906541 630973374 /nfs/dbraw/zinc/97/33/74/630973374.db2.gz QSHOHJIPXFHNLT-NSHDSACASA-N 0 0 309.373 3.003 20 10 DGCDRN C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000844936739 630992555 /nfs/dbraw/zinc/99/25/55/630992555.db2.gz WQGJOYXLHVOWRE-RHSMWYFYSA-N 0 0 302.418 3.114 20 10 DGCDRN COc1ccc(C[NH2+]C[C@](C)(C(=O)[O-])c2ccccc2)cc1C ZINC000844940513 630998073 /nfs/dbraw/zinc/99/80/73/630998073.db2.gz WDYZVXBZNCTTMD-IBGZPJMESA-N 0 0 313.397 3.136 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@]2(CC2(F)F)C1 ZINC000844994345 631028714 /nfs/dbraw/zinc/02/87/14/631028714.db2.gz ZNICICSVUNDHPI-MRXNPFEDSA-N 0 0 323.387 3.002 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)NC1CCC(F)(F)CC1 ZINC000845084287 631069223 /nfs/dbraw/zinc/06/92/23/631069223.db2.gz YSOXXNDYEVWILZ-UHFFFAOYSA-N 0 0 318.751 3.423 20 10 DGCDRN C[C@H](NC(=O)N1CC[C@@]2(CC2(F)F)C1)c1ccc(N(C)C)cc1 ZINC000845123698 631084190 /nfs/dbraw/zinc/08/41/90/631084190.db2.gz CZSJHIVRMWCBLJ-BLLLJJGKSA-N 0 0 323.387 3.254 20 10 DGCDRN C[C@H](NC(=O)NC1CC2(CCC2)C1)c1ccc(N(C)C)cc1 ZINC000845125917 631087186 /nfs/dbraw/zinc/08/71/86/631087186.db2.gz REVACXGAQHXZJW-ZDUSSCGKSA-N 0 0 301.434 3.446 20 10 DGCDRN CC(C)c1nc(NCc2cc(Cl)ccc2O)nc(N(C)C)n1 ZINC000845708913 631190612 /nfs/dbraw/zinc/19/06/12/631190612.db2.gz IJKYNWGEFRHJAV-UHFFFAOYSA-N 0 0 321.812 3.032 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)N(C)C2CCCC2)cc1 ZINC000845987735 631204755 /nfs/dbraw/zinc/20/47/55/631204755.db2.gz MPCWOUZPNSWPEG-UHFFFAOYSA-N 0 0 319.449 3.058 20 10 DGCDRN COc1ccc(N(C)Cc2ccccc2N2CCOCC2)cc1 ZINC000845999215 631205189 /nfs/dbraw/zinc/20/51/89/631205189.db2.gz SMARUGUSZUUDAB-UHFFFAOYSA-N 0 0 312.413 3.168 20 10 DGCDRN CC(C)(C)OC(=O)CN(Cc1cccc(F)c1O)CC1CC1 ZINC000846051954 631208295 /nfs/dbraw/zinc/20/82/95/631208295.db2.gz AAAZLFHYGHSXHG-UHFFFAOYSA-N 0 0 309.381 3.085 20 10 DGCDRN COc1ccc(O)c(CN2CCCCN2C(=O)OC(C)(C)C)c1 ZINC000846070810 631209290 /nfs/dbraw/zinc/20/92/90/631209290.db2.gz XMUCKGIKOVDUDV-UHFFFAOYSA-N 0 0 322.405 3.149 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000846111838 631210135 /nfs/dbraw/zinc/21/01/35/631210135.db2.gz NXQJMMWEXWHUEX-AOOOYVTPSA-N 0 0 318.161 3.160 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000846190458 631214395 /nfs/dbraw/zinc/21/43/95/631214395.db2.gz XYNZBCYAPPDBTO-DIFFPNOSSA-N 0 0 320.389 3.156 20 10 DGCDRN Cc1oc(C[N@@H+](C)Cc2ccc(N(C)C)c(C)c2)cc1C(=O)[O-] ZINC000846260583 631217259 /nfs/dbraw/zinc/21/72/59/631217259.db2.gz HLVVVZFWDLZTLA-UHFFFAOYSA-N 0 0 316.401 3.293 20 10 DGCDRN Cc1noc(C2CC2)c1C(=O)NCc1cc(Cl)ccc1O ZINC000846474703 631250414 /nfs/dbraw/zinc/25/04/14/631250414.db2.gz ZYRUTASXPSUOFR-UHFFFAOYSA-N 0 0 306.749 3.149 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1cccnc1C1CC1 ZINC000846474624 631250661 /nfs/dbraw/zinc/25/06/61/631250661.db2.gz XJKKXVRQSNTPLP-UHFFFAOYSA-N 0 0 302.761 3.248 20 10 DGCDRN Cc1nc(CC2CC2)oc1C(=O)NCc1cc(Cl)ccc1O ZINC000846474687 631250854 /nfs/dbraw/zinc/25/08/54/631250854.db2.gz ZGDQJEBGMIDQGM-UHFFFAOYSA-N 0 0 320.776 3.225 20 10 DGCDRN CC(C)(C)c1cc(C(=O)NCc2cc(Cl)ccc2O)no1 ZINC000846478083 631251298 /nfs/dbraw/zinc/25/12/98/631251298.db2.gz ZHNAHFVVYXONBE-UHFFFAOYSA-N 0 0 308.765 3.261 20 10 DGCDRN CC(C)(COCc1ccccc1)NC(=O)C1=CC(=O)CS1 ZINC000846654323 631279593 /nfs/dbraw/zinc/27/95/93/631279593.db2.gz HAZLDRJQDTVLKZ-UHFFFAOYSA-N 0 0 305.399 3.179 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCS[C@@H](c2ccccc2)C1 ZINC000846660178 631281157 /nfs/dbraw/zinc/28/11/57/631281157.db2.gz DMHGJBHBUUYJMZ-CQSZACIVSA-N 0 0 305.424 3.384 20 10 DGCDRN CCn1cc(CC(=O)NCCc2ccc(N)cc2)c2ccccc21 ZINC000846665732 631282408 /nfs/dbraw/zinc/28/24/08/631282408.db2.gz OCMBJVQFVOOCJY-UHFFFAOYSA-N 0 0 321.424 3.145 20 10 DGCDRN C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)CCc2ccc(F)cc21 ZINC000846701105 631288725 /nfs/dbraw/zinc/28/87/25/631288725.db2.gz QYYQOCGJFAVSRD-CYBMUJFWSA-N 0 0 312.388 3.139 20 10 DGCDRN C[C@@H]1Cc2cc(NCc3ccc(N4CCOCC4)cc3)ccc2O1 ZINC000846745519 631292448 /nfs/dbraw/zinc/29/24/48/631292448.db2.gz IAZSLWVULZWEGE-OAHLLOKOSA-N 0 0 324.424 3.459 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cnccc2C(F)(F)F)cc1 ZINC000846784494 631305539 /nfs/dbraw/zinc/30/55/39/631305539.db2.gz OMHQHTNWCRPZFO-UHFFFAOYSA-N 0 0 323.318 3.096 20 10 DGCDRN C/C(=C\c1ccccn1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000846976972 631371321 /nfs/dbraw/zinc/37/13/21/631371321.db2.gz HWTCSSXUOPIGMD-BUYIWHAFSA-N 0 0 309.413 3.428 20 10 DGCDRN C/C(=C\c1ccccn1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000847304065 631456848 /nfs/dbraw/zinc/45/68/48/631456848.db2.gz FVRBCFQAISUDAB-FYWRMAATSA-N 0 0 309.413 3.210 20 10 DGCDRN CC[C@@](C)(CO)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000847304561 631456873 /nfs/dbraw/zinc/45/68/73/631456873.db2.gz VKKPYNZRIWFFCY-IBGZPJMESA-N 0 0 318.461 3.044 20 10 DGCDRN C/C(=C/c1ccco1)C(=O)NCCCSc1nccs1 ZINC000847487696 631481093 /nfs/dbraw/zinc/48/10/93/631481093.db2.gz IAJSNSPLWKJVQM-KHPPLWFESA-N 0 0 308.428 3.438 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(C2CC2)c1 ZINC000847696531 631516649 /nfs/dbraw/zinc/51/66/49/631516649.db2.gz RHULCUXSGMBMIX-GFCCVEGCSA-N 0 0 311.381 3.336 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCSC12CCCCC2 ZINC000848051626 631604558 /nfs/dbraw/zinc/60/45/58/631604558.db2.gz SPLPWEPMZUEKQM-ALCCZGGFSA-N 0 0 319.426 3.347 20 10 DGCDRN Cc1cnccc1CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000848225159 631630075 /nfs/dbraw/zinc/63/00/75/631630075.db2.gz DESSVCCCEUOHIB-UHFFFAOYSA-N 0 0 323.440 3.239 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C[C@H](C)O)C2CC2)cc1 ZINC000848361597 631649817 /nfs/dbraw/zinc/64/98/17/631649817.db2.gz SNGIKOLOVPFHJG-HNNXBMFYSA-N 0 0 312.413 3.080 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3ccc4[nH]ccc4c3)ccc21 ZINC000107576699 631659346 /nfs/dbraw/zinc/65/93/46/631659346.db2.gz FXDLSSBKGFBQHY-UHFFFAOYSA-N 0 0 319.408 3.480 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@](C)(CO)OC)c1ccc(Cl)c(Cl)c1[O-] ZINC000848557605 631691870 /nfs/dbraw/zinc/69/18/70/631691870.db2.gz GGGAYDPACDCLJT-RISCZKNCSA-N 0 0 322.232 3.137 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-])[C@@H]1CCCCO1 ZINC000848567577 631695907 /nfs/dbraw/zinc/69/59/07/631695907.db2.gz ITLYIKXNYJBQMD-NUTKFTJISA-N 0 0 321.417 3.177 20 10 DGCDRN Cc1cc(O)c(C[NH2+][C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1C ZINC000848640333 631715451 /nfs/dbraw/zinc/71/54/51/631715451.db2.gz QBUYKKXGTPCWCK-VHDGCEQUSA-N 0 0 305.418 3.234 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848640625 631715738 /nfs/dbraw/zinc/71/57/38/631715738.db2.gz SOKPKQDCFZXYKG-KWCYVHTRSA-N 0 0 322.424 3.117 20 10 DGCDRN CCOc1ccc(NCc2cccc(CC)c2O)cc1CO ZINC000848892404 631774208 /nfs/dbraw/zinc/77/42/08/631774208.db2.gz VJLCMSMGJQXXGK-UHFFFAOYSA-N 0 0 301.386 3.458 20 10 DGCDRN CCc1cccc(CNc2ccc(NC(=O)COC)cc2)c1O ZINC000848892008 631774513 /nfs/dbraw/zinc/77/45/13/631774513.db2.gz ICVJADWZPKWZAG-UHFFFAOYSA-N 0 0 314.385 3.152 20 10 DGCDRN CCc1cccc(CN2C[C@@H](NC(C)=O)Cc3ccccc32)c1O ZINC000848900059 631778684 /nfs/dbraw/zinc/77/86/84/631778684.db2.gz AIFFRXIULPVIMH-SFHVURJKSA-N 0 0 324.424 3.022 20 10 DGCDRN CCc1cccc(CNc2ccc(N3CCCC3=O)cn2)c1O ZINC000848898822 631778818 /nfs/dbraw/zinc/77/88/18/631778818.db2.gz HNMKYHDWFQQSAE-UHFFFAOYSA-N 0 0 311.385 3.089 20 10 DGCDRN Cc1noc([C@H](C)N(C)C/C=C/c2ccc(N(C)C)cc2)n1 ZINC000848925772 631791380 /nfs/dbraw/zinc/79/13/80/631791380.db2.gz JXURBNKEHPKTGL-YBJDMEARSA-N 0 0 300.406 3.150 20 10 DGCDRN C[C@H]1CCCN(C(=[NH2+])NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000849078403 631828636 /nfs/dbraw/zinc/82/86/36/631828636.db2.gz ZGKQXEZJENLDAL-VIFPVBQESA-N 0 0 316.232 3.455 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ccc2c(c1)CCN(C)C2=O ZINC000849347561 631899574 /nfs/dbraw/zinc/89/95/74/631899574.db2.gz OUZNLIYHTTZMQS-UHFFFAOYSA-N 0 0 323.440 3.301 20 10 DGCDRN Cc1ccc(O)c(CNc2cncc(OCC(F)(F)F)n2)c1 ZINC000849347509 631899677 /nfs/dbraw/zinc/89/96/77/631899677.db2.gz MFTLZNIBOOWODR-UHFFFAOYSA-N 0 0 313.279 3.044 20 10 DGCDRN Cc1nocc1COC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000849660288 631928145 /nfs/dbraw/zinc/92/81/45/631928145.db2.gz OEXGBOXORZDUIR-UHFFFAOYSA-N 0 0 317.370 3.149 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCCOC1CCCC1 ZINC000108928961 631987843 /nfs/dbraw/zinc/98/78/43/631987843.db2.gz PDYYNJIIUNTNBM-UHFFFAOYSA-N 0 0 320.433 3.273 20 10 DGCDRN O=C1N[C@@H]2CCCC[C@H]2C[C@H]1Sc1ncc(Cl)s1 ZINC000850002129 632025381 /nfs/dbraw/zinc/02/53/81/632025381.db2.gz UIRLCKUTYRVUBP-DJLDLDEBSA-N 0 0 302.852 3.336 20 10 DGCDRN CCN(CC)c1ccc(CNCc2cn(C3CCC3)nn2)cc1 ZINC000850034872 632034144 /nfs/dbraw/zinc/03/41/44/632034144.db2.gz SNHRUGRTTSOFAS-UHFFFAOYSA-N 0 0 313.449 3.139 20 10 DGCDRN CC1CCN(c2ccc(CNCc3cc4n(n3)CCC4)cc2)CC1 ZINC000850128753 632062167 /nfs/dbraw/zinc/06/21/67/632062167.db2.gz IORXRXZPSXRJEG-UHFFFAOYSA-N 0 0 324.472 3.355 20 10 DGCDRN CCN(CC)c1ccc(CNCc2nccc(OC)c2F)cc1 ZINC000850380789 632132849 /nfs/dbraw/zinc/13/28/49/632132849.db2.gz MJSIWOBXXQQVSR-UHFFFAOYSA-N 0 0 317.408 3.365 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C2CCC3(CC3(F)F)CC2)c1 ZINC000850391457 632136898 /nfs/dbraw/zinc/13/68/98/632136898.db2.gz QTPSUMYYNKZCSK-UHFFFAOYSA-N 0 0 312.316 3.358 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)c2ccccn2)c1 ZINC000850483272 632166149 /nfs/dbraw/zinc/16/61/49/632166149.db2.gz VQRQDSLQUIOJOI-QWHCGFSZSA-N 0 0 314.385 3.028 20 10 DGCDRN CC(=O)NCc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000850484511 632166985 /nfs/dbraw/zinc/16/69/85/632166985.db2.gz KKDBRYZTWGXALV-GFCCVEGCSA-N 0 0 316.376 3.018 20 10 DGCDRN CC(=O)NCc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000850484512 632167120 /nfs/dbraw/zinc/16/71/20/632167120.db2.gz KKDBRYZTWGXALV-LBPRGKRZSA-N 0 0 316.376 3.018 20 10 DGCDRN CC[C@H]([NH2+]CC[C@H](COC)OC)c1cccc(Cl)c1[O-] ZINC000850487256 632167507 /nfs/dbraw/zinc/16/75/07/632167507.db2.gz YNBNVKRTBHMLTJ-RISCZKNCSA-N 0 0 301.814 3.138 20 10 DGCDRN CC[C@H]([NH2+]Cc1c(C2CC2)cnn1C)c1ccc(F)cc1[O-] ZINC000850534084 632183941 /nfs/dbraw/zinc/18/39/41/632183941.db2.gz GFGYWXQRNITAKY-HNNXBMFYSA-N 0 0 303.381 3.383 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850550992 632190041 /nfs/dbraw/zinc/19/00/41/632190041.db2.gz FXQPENNIUNFHNR-QPUJVOFHSA-N 0 0 300.305 3.242 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2C(C)(C)C2(F)F)c1 ZINC000850553204 632190917 /nfs/dbraw/zinc/19/09/17/632190917.db2.gz UAFAJBYLDWUHQA-RNCFNFMXSA-N 0 0 313.344 3.121 20 10 DGCDRN Cc1cc(C(=O)O[C@H](C)c2nccn2C)c(C)n1-c1ccccn1 ZINC000851580855 632451347 /nfs/dbraw/zinc/45/13/47/632451347.db2.gz MCQDEYCPLQAZDW-CQSZACIVSA-N 0 0 324.384 3.141 20 10 DGCDRN CC1(C)C[C@]1(C)NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000851648265 632466934 /nfs/dbraw/zinc/46/69/34/632466934.db2.gz ZIRSDHPFXFAKAV-KRWDZBQOSA-N 0 0 315.442 3.235 20 10 DGCDRN CCc1nnc([C@@H](C)N(C)Cc2ccc(N(CC)CC)cc2)[nH]1 ZINC000851716519 632472826 /nfs/dbraw/zinc/47/28/26/632472826.db2.gz NXZADRXLGNWDNF-CQSZACIVSA-N 0 0 315.465 3.406 20 10 DGCDRN CN(CC=C(Cl)Cl)Cc1ccc(N2CCOCC2)cc1 ZINC000851716376 632473242 /nfs/dbraw/zinc/47/32/42/632473242.db2.gz LTZVXAMKNZJMIC-UHFFFAOYSA-N 0 0 315.244 3.274 20 10 DGCDRN CN(C[C@@H]1CCC(=O)O1)c1ccc(OCc2ccccc2)cc1 ZINC000851966160 632530422 /nfs/dbraw/zinc/53/04/22/632530422.db2.gz ZKFSMFWUEZKQDI-SFHVURJKSA-N 0 0 311.381 3.407 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cc3c(s2)CCC3)cc1 ZINC000008171174 632545385 /nfs/dbraw/zinc/54/53/85/632545385.db2.gz HLAUUQZYCDBLEU-UHFFFAOYSA-N 0 0 300.427 3.233 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCC(C)(C)F ZINC000852384543 632598116 /nfs/dbraw/zinc/59/81/16/632598116.db2.gz DINXSOHLAWZHDB-AWEZNQCLSA-N 0 0 323.456 3.429 20 10 DGCDRN COc1ccc(OC)c(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])c1 ZINC000185186548 660206593 /nfs/dbraw/zinc/20/65/93/660206593.db2.gz UTEZSDUKVBPERZ-GFCCVEGCSA-N 0 0 319.376 3.442 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC2(Cc3ccccc3)CC2)cc1 ZINC000185557151 660229642 /nfs/dbraw/zinc/22/96/42/660229642.db2.gz RJHSHRLQTPIKCH-UHFFFAOYSA-N 0 0 323.440 3.327 20 10 DGCDRN C[C@@H]([NH2+]CCC(=O)Nc1ccccc1)c1ccc(F)cc1[O-] ZINC000185443423 660223317 /nfs/dbraw/zinc/22/33/17/660223317.db2.gz RPAGTPKFFQKRAK-GFCCVEGCSA-N 0 0 302.349 3.211 20 10 DGCDRN COc1cc(C)c(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1F ZINC000186054889 660264264 /nfs/dbraw/zinc/26/42/64/660264264.db2.gz FQNDPHQKZKKLPT-GQCTYLIASA-N 0 0 317.316 3.206 20 10 DGCDRN COc1cccc(CNC(=O)NC2CCCCCCC2)c1O ZINC000073430917 660339850 /nfs/dbraw/zinc/33/98/50/660339850.db2.gz UCPBTJDDRXWQAR-UHFFFAOYSA-N 0 0 306.406 3.313 20 10 DGCDRN Cc1oc2ccccc2c1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000186234421 660352169 /nfs/dbraw/zinc/35/21/69/660352169.db2.gz AKQCHEZFQBYWIX-VQHVLOKHSA-N 0 0 323.348 3.482 20 10 DGCDRN CC[C@H](NCc1n[nH]cc1Br)c1ccccc1O ZINC000718126280 662229923 /nfs/dbraw/zinc/22/99/23/662229923.db2.gz DJGSCLAQLAVPNE-NSHDSACASA-N 0 0 310.195 3.119 20 10 DGCDRN CCOCCCNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000022408455 660568839 /nfs/dbraw/zinc/56/88/39/660568839.db2.gz NGEDHJMNDWYABT-UHFFFAOYSA-N 0 0 300.402 3.251 20 10 DGCDRN C[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)[C@H]1C ZINC000073915411 660574917 /nfs/dbraw/zinc/57/49/17/660574917.db2.gz WXEVLDLZPVIOLR-STQMWFEESA-N 0 0 307.413 3.222 20 10 DGCDRN N#Cc1c(F)cccc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000186900172 660582998 /nfs/dbraw/zinc/58/29/98/660582998.db2.gz AEHIDBWUSVLSCT-UHFFFAOYSA-N 0 0 324.355 3.212 20 10 DGCDRN COc1cccc(CNC(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)c1O ZINC000186967340 660603163 /nfs/dbraw/zinc/60/31/63/660603163.db2.gz AGXZVKZOZAVQQP-SGMGOOAPSA-N 0 0 306.406 3.025 20 10 DGCDRN CC[C@@H]1CN(Cc2c(O)cccc2Br)[C@@H](C)CO1 ZINC000707143455 660888228 /nfs/dbraw/zinc/88/82/28/660888228.db2.gz SHQUEZHEJBJJKV-WDEREUQCSA-N 0 0 314.223 3.154 20 10 DGCDRN Cc1cc(NS(=O)(=O)c2cccc(F)c2)c(C)c(C)c1O ZINC000187062160 660943835 /nfs/dbraw/zinc/94/38/35/660943835.db2.gz NTPBGQKXTFEBJN-UHFFFAOYSA-N 0 0 309.362 3.257 20 10 DGCDRN COCCC[C@@H](Cc1ccccc1)NC(=O)C1=CC(=O)CS1 ZINC000792668152 660978580 /nfs/dbraw/zinc/97/85/80/660978580.db2.gz COEGMULHDLBMQJ-AWEZNQCLSA-N 0 0 319.426 3.221 20 10 DGCDRN COc1ccc(Cl)cc1NC(=S)NCc1cccn1C ZINC000792679883 660979319 /nfs/dbraw/zinc/97/93/19/660979319.db2.gz KPFSEDGZPKZCDW-UHFFFAOYSA-N 0 0 309.822 3.174 20 10 DGCDRN C[C@@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@H](C)O1 ZINC000792761140 660983108 /nfs/dbraw/zinc/98/31/08/660983108.db2.gz JRRQPEAZTGUUNY-TXEJJXNPSA-N 0 0 316.367 3.381 20 10 DGCDRN CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(OC)cc1O ZINC000792833362 660987564 /nfs/dbraw/zinc/98/75/64/660987564.db2.gz AMXGXWXQYFZRLF-DOMZBBRYSA-N 0 0 306.406 3.169 20 10 DGCDRN COc1ccc(CNC(=O)NC2[C@@H](C)CCC[C@@H]2C)c(O)c1 ZINC000793076922 661003773 /nfs/dbraw/zinc/00/37/73/661003773.db2.gz WNYHIVLZGJDSTE-RYUDHWBXSA-N 0 0 306.406 3.025 20 10 DGCDRN COc1ccc(CNC(=O)NCC(C(C)C)C(C)C)c(O)c1 ZINC000793072399 661003513 /nfs/dbraw/zinc/00/35/13/661003513.db2.gz BRAUNVSZDCBYMG-UHFFFAOYSA-N 0 0 308.422 3.128 20 10 DGCDRN CC[C@H](C)[C@H](OC)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000793245226 661017362 /nfs/dbraw/zinc/01/73/62/661017362.db2.gz KFPNELJLELJIHU-YOEHRIQHSA-N 0 0 306.450 3.162 20 10 DGCDRN CC(C)Oc1ccc(NCc2cc(F)ccc2O)cc1C(N)=O ZINC000793378863 661028578 /nfs/dbraw/zinc/02/85/78/661028578.db2.gz PNFCZEOXXXVAIJ-UHFFFAOYSA-N 0 0 318.348 3.030 20 10 DGCDRN CO[C@H]1CCC[C@@H](CC(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000793512172 661040175 /nfs/dbraw/zinc/04/01/75/661040175.db2.gz AHNVGFVNRSQUEC-QAPCUYQASA-N 0 0 318.461 3.273 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N[C@@H]3CCC3(C)C)ccc21 ZINC000806021092 661045537 /nfs/dbraw/zinc/04/55/37/661045537.db2.gz CUJHXMLYDMRLMX-MRXNPFEDSA-N 0 0 301.434 3.057 20 10 DGCDRN CC1(C2CC2)CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000793468541 661037402 /nfs/dbraw/zinc/03/74/02/661037402.db2.gz LLESKOQALPMQGC-CLTKARDFSA-N 0 0 301.386 3.150 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@H]2CCC[C@H](OC)C2)c1 ZINC000793688680 661053360 /nfs/dbraw/zinc/05/33/60/661053360.db2.gz GUFLEXBLPRYZKO-IHRRRGAJSA-N 0 0 321.417 3.173 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2Cc3ccc(F)cc32)c1 ZINC000793690003 661053503 /nfs/dbraw/zinc/05/35/03/661053503.db2.gz RNOHJEXRLQQBLE-HWPZZCPQSA-N 0 0 315.344 3.057 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2Cc3ccc(F)cc32)c1 ZINC000793690006 661053615 /nfs/dbraw/zinc/05/36/15/661053615.db2.gz RNOHJEXRLQQBLE-QFYYESIMSA-N 0 0 315.344 3.057 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2Cc3ccc(F)cc32)c1 ZINC000793690005 661053687 /nfs/dbraw/zinc/05/36/87/661053687.db2.gz RNOHJEXRLQQBLE-MGPLVRAMSA-N 0 0 315.344 3.057 20 10 DGCDRN CC(C)n1cnnc1CN(C)Cc1cc2c(cc1O)CCCC2 ZINC000793805699 661058395 /nfs/dbraw/zinc/05/83/95/661058395.db2.gz NKKHDVGWZAZDNT-UHFFFAOYSA-N 0 0 314.433 3.075 20 10 DGCDRN CC1CCC(C)(CNC(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000794024402 661066123 /nfs/dbraw/zinc/06/61/23/661066123.db2.gz QSSKNULCDIEYLG-XQRVVYSFSA-N 0 0 303.402 3.444 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCCC1(F)CCC1 ZINC000806045673 661073152 /nfs/dbraw/zinc/07/31/52/661073152.db2.gz JBPOUFVBABFMNC-UHFFFAOYSA-N 0 0 307.413 3.143 20 10 DGCDRN COc1ccc(CNC(=O)[C@@H](F)CC2CCCCC2)c(O)c1 ZINC000794373875 661081327 /nfs/dbraw/zinc/08/13/27/661081327.db2.gz NWXHVXSBRPZJSF-HNNXBMFYSA-N 0 0 309.381 3.326 20 10 DGCDRN COc1ccc(CNC(=O)c2scnc2C(C)(C)C)c(O)c1 ZINC000794380735 661081919 /nfs/dbraw/zinc/08/19/19/661081919.db2.gz IATWVFYRWOWFRC-UHFFFAOYSA-N 0 0 320.414 3.085 20 10 DGCDRN CC[C@@H]1CCCC[C@H]1OCC(=O)NCc1ccc(OC)cc1O ZINC000794387278 661082079 /nfs/dbraw/zinc/08/20/79/661082079.db2.gz HTERYFSMTQJJLC-CXAGYDPISA-N 0 0 321.417 3.002 20 10 DGCDRN CC(C)c1nnc(CN2CCCc3cc(OC(F)F)ccc32)[nH]1 ZINC000794404861 661083396 /nfs/dbraw/zinc/08/33/96/661083396.db2.gz PNRQRKZNKDGEQB-UHFFFAOYSA-N 0 0 322.359 3.482 20 10 DGCDRN Cc1cc2sc(NC(=O)c3cccc(O)c3O)nc2cc1F ZINC000794253519 661074770 /nfs/dbraw/zinc/07/47/70/661074770.db2.gz OVZSENRMUYRQKF-UHFFFAOYSA-N 0 0 318.329 3.407 20 10 DGCDRN COc1ccc(CNC(=O)Nc2cccc(Cl)c2)c(O)c1 ZINC000794761941 661104319 /nfs/dbraw/zinc/10/43/19/661104319.db2.gz LVQMXAATKWGXSV-UHFFFAOYSA-N 0 0 306.749 3.376 20 10 DGCDRN CC[C@@H](Nc1cccc(C(N)=O)c1OC)c1ccc(C)cc1O ZINC000794813540 661107164 /nfs/dbraw/zinc/10/71/64/661107164.db2.gz ALDXVZAKYXSQMY-CQSZACIVSA-N 0 0 314.385 3.371 20 10 DGCDRN Oc1ccccc1CNC(=S)NCCCCC(F)(F)F ZINC000794976331 661118017 /nfs/dbraw/zinc/11/80/17/661118017.db2.gz FWMITNTYMHRWRE-UHFFFAOYSA-N 0 0 306.353 3.089 20 10 DGCDRN Cc1ccc2c(c1)OCCN2C(=O)/C=C\c1ccc(Cl)nc1 ZINC000254982176 655554170 /nfs/dbraw/zinc/55/41/70/655554170.db2.gz PDTWHWNLASTFQA-DAXSKMNVSA-N 0 0 314.772 3.482 20 10 DGCDRN Cc1ncsc1/C=C1/SC(=S)N(c2cccnc2)C1=O ZINC000255061392 655588894 /nfs/dbraw/zinc/58/88/94/655588894.db2.gz YOIUXXJCDHGRPD-VZUCSPMQSA-N 0 0 319.436 3.252 20 10 DGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1C[C@H]1C ZINC000175842324 655610201 /nfs/dbraw/zinc/61/02/01/655610201.db2.gz JOSFSOIDAKIMDN-BXKDBHETSA-N 0 0 312.207 3.159 20 10 DGCDRN CCc1cnc(CN(C)Cc2cc(OC)c(C)cc2O)s1 ZINC000160349125 655615293 /nfs/dbraw/zinc/61/52/93/655615293.db2.gz YZBWUAKXIRYJED-UHFFFAOYSA-N 0 0 306.431 3.360 20 10 DGCDRN Cc1ncccc1/C=C1/SC(=S)N(c2cccnc2)C1=O ZINC000255170526 655627207 /nfs/dbraw/zinc/62/72/07/655627207.db2.gz IGTBEQHQLBWUHC-MDWZMJQESA-N 0 0 313.407 3.191 20 10 DGCDRN CCc1[nH]ccc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000795768947 661172045 /nfs/dbraw/zinc/17/20/45/661172045.db2.gz PVYSXPHHIWMNKK-UHFFFAOYSA-N 0 0 311.429 3.497 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccsc1 ZINC000795774675 661172341 /nfs/dbraw/zinc/17/23/41/661172341.db2.gz QHCQJWZFMKRYJY-UHFFFAOYSA-N 0 0 324.471 3.025 20 10 DGCDRN Cc1cc(O)c(CNc2cnc(Br)cn2)cc1C ZINC000795792492 661173057 /nfs/dbraw/zinc/17/30/57/661173057.db2.gz IWXVUBZDJGHXOC-UHFFFAOYSA-N 0 0 308.179 3.174 20 10 DGCDRN CC(=O)c1cc(F)cc(C[N@H+](C)CCc2cccs2)c1O ZINC000093269252 655696039 /nfs/dbraw/zinc/69/60/39/655696039.db2.gz HGJZBVNXMXGNRS-UHFFFAOYSA-N 0 0 307.390 3.470 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@H+]3CCC[C@H](OC)C3)c2c1 ZINC000076266330 655702981 /nfs/dbraw/zinc/70/29/81/655702981.db2.gz OTTGFRXTDBBSQE-HNNXBMFYSA-N 0 0 301.386 3.165 20 10 DGCDRN CC[C@@](C)(NC(=O)NCc1ccc(N(C)C)cc1)C(F)(F)F ZINC000933544003 655719489 /nfs/dbraw/zinc/71/94/89/655719489.db2.gz LCSYLZRRDQWURG-CQSZACIVSA-N 0 0 317.355 3.283 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000317672055 655735321 /nfs/dbraw/zinc/73/53/21/655735321.db2.gz KTZRURNKEHZVDJ-UHFFFAOYSA-N 0 0 320.732 3.226 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)CCc1cc(F)ccc1F ZINC000065072767 655735360 /nfs/dbraw/zinc/73/53/60/655735360.db2.gz UHKDORWPZSBUPB-UHFFFAOYSA-N 0 0 305.324 3.262 20 10 DGCDRN COC(=O)c1cccc(Cl)c1CN(C)Cc1ccccc1O ZINC000795957592 661181830 /nfs/dbraw/zinc/18/18/30/661181830.db2.gz TWQRUETXHKBUAK-UHFFFAOYSA-N 0 0 319.788 3.464 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NO[C@@H]2CCCCO2)cc1 ZINC000072058877 655764188 /nfs/dbraw/zinc/76/41/88/655764188.db2.gz LCGWCNZJAKHZAJ-QGZVFWFLSA-N 0 0 314.385 3.282 20 10 DGCDRN Cc1ccc(NC(=O)NCc2c(O)ccc3c2CCCC3)cn1 ZINC000161436450 655797649 /nfs/dbraw/zinc/79/76/49/655797649.db2.gz LOPVGFSLBPIXKD-UHFFFAOYSA-N 0 0 311.385 3.296 20 10 DGCDRN CCOC(=O)CCC(=O)CSc1ncc(C(C)(C)C)s1 ZINC000188077073 655807314 /nfs/dbraw/zinc/80/73/14/655807314.db2.gz WQPFLKBFZQSSQJ-UHFFFAOYSA-N 0 0 315.460 3.445 20 10 DGCDRN Cc1cncc(/C=C\C(=O)N2CCCN(C)c3ccccc32)c1 ZINC000255582978 655839452 /nfs/dbraw/zinc/83/94/52/655839452.db2.gz NAAHTTBYRIBSAU-HJWRWDBZSA-N 0 0 307.397 3.276 20 10 DGCDRN Cc1cncc(/C=C/C(=O)N2CCCc3c([N+](=O)[O-])cccc32)c1 ZINC000162097164 655846382 /nfs/dbraw/zinc/84/63/82/655846382.db2.gz DETIEIACSNDQJP-BQYQJAHWSA-N 0 0 323.352 3.291 20 10 DGCDRN O=C(COC1CCCCC1)NCc1c(O)ccc2c1CCCC2 ZINC000075159763 655852350 /nfs/dbraw/zinc/85/23/50/655852350.db2.gz FJJUWOGGENWHLO-UHFFFAOYSA-N 0 0 317.429 3.237 20 10 DGCDRN Cc1ccc(C(=O)NCCc2ccc(Cl)s2)c(O)c1O ZINC000179433924 655892851 /nfs/dbraw/zinc/89/28/51/655892851.db2.gz CHUCIZBMWAYDHB-UHFFFAOYSA-N 0 0 311.790 3.094 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccc(-c3cnco3)cc2)c(O)c1O ZINC000179438643 655892926 /nfs/dbraw/zinc/89/29/26/655892926.db2.gz JZJDHBCXTIIFQT-UHFFFAOYSA-N 0 0 310.309 3.314 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)/C=C\c2cccc(F)c2)c1 ZINC000255868057 655920869 /nfs/dbraw/zinc/92/08/69/655920869.db2.gz OYVMKAMKKBGULV-PWWFUAJNSA-N 0 0 315.344 3.431 20 10 DGCDRN CCN(Cc1c(F)cccc1F)C(=O)c1ccc(C)c(O)c1O ZINC000177678775 655939022 /nfs/dbraw/zinc/93/90/22/655939022.db2.gz QMSJULSWDNPUFK-UHFFFAOYSA-N 0 0 321.323 3.347 20 10 DGCDRN C[C@@H](NC(=O)NCCCSc1nccs1)c1ccccn1 ZINC000177724190 655943436 /nfs/dbraw/zinc/94/34/36/655943436.db2.gz WWGXKQQDDSXHDR-LLVKDONJSA-N 0 0 322.459 3.081 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]C[C@@H]1CCC=CO1 ZINC000715712144 661213945 /nfs/dbraw/zinc/21/39/45/661213945.db2.gz IZJCHDARMRXTBJ-NSHDSACASA-N 0 0 316.170 3.076 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCc1csc(C)n1 ZINC000066698446 655994192 /nfs/dbraw/zinc/99/41/92/655994192.db2.gz RQGCRIZAIDFKCO-UHFFFAOYSA-N 0 0 319.430 3.279 20 10 DGCDRN C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000328185133 656055642 /nfs/dbraw/zinc/05/56/42/656055642.db2.gz OITMHFVOAZCODW-OTYXRUKQSA-N 0 0 304.217 3.340 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(-c2ncc[nH]2)c1 ZINC000181036057 656096891 /nfs/dbraw/zinc/09/68/91/656096891.db2.gz CLGVUJPTQJLTSF-FNORWQNLSA-N 0 0 321.336 3.140 20 10 DGCDRN C[C@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)CCO1 ZINC000182971847 656109375 /nfs/dbraw/zinc/10/93/75/656109375.db2.gz FJNRAFXBADWDQD-HNNXBMFYSA-N 0 0 313.397 3.192 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1COC2(CCC(C)CC2)O1)c1ccccc1O ZINC000183671853 656114070 /nfs/dbraw/zinc/11/40/70/656114070.db2.gz VNJJPCCTWGPJGR-NWPKHEMWSA-N 0 0 305.418 3.365 20 10 DGCDRN CCn1nc(C)c(NC(=O)NCc2cccc(Cl)c2O)c1C ZINC000930665570 656118386 /nfs/dbraw/zinc/11/83/86/656118386.db2.gz CHXVRXNNFAGFAK-UHFFFAOYSA-N 0 0 322.796 3.201 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1ccc(F)cc1[O-] ZINC000186230444 656130871 /nfs/dbraw/zinc/13/08/71/656130871.db2.gz PPHNPOOGVAFVOZ-TZMCWYRMSA-N 0 0 309.381 3.258 20 10 DGCDRN CCC(C)(C)CNC(=O)NCCCSc1nccs1 ZINC000190574019 656161999 /nfs/dbraw/zinc/16/19/99/656161999.db2.gz AHQZXCJMELZJIC-UHFFFAOYSA-N 0 0 301.481 3.361 20 10 DGCDRN Cc1c(F)cccc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000190972730 656165342 /nfs/dbraw/zinc/16/53/42/656165342.db2.gz BXROHMHTRRYMJS-JTQLQIEISA-N 0 0 318.348 3.298 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)nn1C(C)C ZINC000828860764 661232967 /nfs/dbraw/zinc/23/29/67/661232967.db2.gz GXSDEGDVFHNRDU-CQSZACIVSA-N 0 0 314.433 3.329 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCc1ccc2ncccc2c1 ZINC000194579372 656202237 /nfs/dbraw/zinc/20/22/37/656202237.db2.gz VQJLBCZRXWRMMG-UHFFFAOYSA-N 0 0 321.380 3.282 20 10 DGCDRN CNC(=O)c1ccc(NCc2c(O)ccc(Cl)c2F)cc1 ZINC000195068399 656208378 /nfs/dbraw/zinc/20/83/78/656208378.db2.gz HZOSIMMEUAQVHT-UHFFFAOYSA-N 0 0 308.740 3.156 20 10 DGCDRN CCN(CC)c1ccc(CNc2ncnc3onc(C)c32)cc1 ZINC000195509775 656212278 /nfs/dbraw/zinc/21/22/78/656212278.db2.gz GBLGCEGMQDGNGR-UHFFFAOYSA-N 0 0 311.389 3.385 20 10 DGCDRN CN(C)C(=O)CNc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000066862474 656259859 /nfs/dbraw/zinc/25/98/59/656259859.db2.gz ZEUFPBSYRSTBFT-UHFFFAOYSA-N 0 0 316.788 3.071 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@H](C)C2CCCCC2)c1 ZINC000074261697 661248997 /nfs/dbraw/zinc/24/89/97/661248997.db2.gz IHQGFXCNDQUPIY-GFCCVEGCSA-N 0 0 306.406 3.169 20 10 DGCDRN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(C)=O ZINC000060721167 656658946 /nfs/dbraw/zinc/65/89/46/656658946.db2.gz VZVUZJDEYVORCM-UHFFFAOYSA-N 0 0 318.398 3.022 20 10 DGCDRN O=C1NC(=S)S/C1=C\c1ccc(Br)cc1F ZINC000006339253 656708691 /nfs/dbraw/zinc/70/86/91/656708691.db2.gz BLWXZMMHLGQUMO-BAQGIRSFSA-N 0 0 318.192 3.077 20 10 DGCDRN CCCCc1nnc(NC(=O)NCc2c(O)cccc2F)s1 ZINC000929252611 661291071 /nfs/dbraw/zinc/29/10/71/661291071.db2.gz RULJJPPLNGNWQV-UHFFFAOYSA-N 0 0 324.381 3.047 20 10 DGCDRN COCC(C)(C)[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000310228208 656812130 /nfs/dbraw/zinc/81/21/30/656812130.db2.gz IVUYYOUZXRXRSR-UHFFFAOYSA-N 0 0 302.212 3.012 20 10 DGCDRN CC[C@@H](C)CN(CC)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000178617071 656966093 /nfs/dbraw/zinc/96/60/93/656966093.db2.gz ZMEUVDQHCBPMBN-CYBMUJFWSA-N 0 0 309.429 3.469 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CNc2ccccc2)cc1 ZINC000178712100 657013121 /nfs/dbraw/zinc/01/31/21/657013121.db2.gz WQGMHOUPDQRGAI-UHFFFAOYSA-N 0 0 311.429 3.261 20 10 DGCDRN COc1ccccc1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000048794592 657301076 /nfs/dbraw/zinc/30/10/76/657301076.db2.gz FPEGMHVHIDLXIK-UHFFFAOYSA-N 0 0 322.202 3.453 20 10 DGCDRN CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nccs2)cc1 ZINC000048874179 657309126 /nfs/dbraw/zinc/30/91/26/657309126.db2.gz VWWREXQEIKHOGY-SNVBAGLBSA-N 0 0 306.412 3.465 20 10 DGCDRN CN(Cc1ccccc1C(F)(F)F)C(=O)Cc1ccc(N)cc1 ZINC000237147878 657312699 /nfs/dbraw/zinc/31/26/99/657312699.db2.gz GSDNOCNGKIIQAB-UHFFFAOYSA-N 0 0 322.330 3.489 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000302992391 657506280 /nfs/dbraw/zinc/50/62/80/657506280.db2.gz FGSXZEIUWKYGCG-YOEHRIQHSA-N 0 0 314.404 3.456 20 10 DGCDRN CCCN(CC(=O)OCc1ccccc1)Cc1ccccc1O ZINC000303414723 657535656 /nfs/dbraw/zinc/53/56/56/657535656.db2.gz VXGRKSHACUDGKT-UHFFFAOYSA-N 0 0 313.397 3.348 20 10 DGCDRN CCc1ccc(CC(=O)NCc2ccc3c(c2)CCCN3C)cc1 ZINC000303806874 657565618 /nfs/dbraw/zinc/56/56/18/657565618.db2.gz BFKMQKJCUYOXCV-UHFFFAOYSA-N 0 0 322.452 3.490 20 10 DGCDRN Cc1cccc(N2CC[NH+](Cc3cccc(F)c3[O-])CC2)c1C ZINC000321657590 658143628 /nfs/dbraw/zinc/14/36/28/658143628.db2.gz NMGYIRWODSIDQY-UHFFFAOYSA-N 0 0 314.404 3.470 20 10 DGCDRN COC(=O)[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000321406817 658186813 /nfs/dbraw/zinc/18/68/13/658186813.db2.gz ISPZBUPNFQQSQM-KDOFPFPSSA-N 0 0 312.413 3.318 20 10 DGCDRN C[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@@H]1C ZINC000179302948 658402566 /nfs/dbraw/zinc/40/25/66/658402566.db2.gz SNQQCLSPMVFODA-HOTGVXAUSA-N 0 0 315.461 3.474 20 10 DGCDRN O=C(NCc1ccccc1)NCc1ccc(N2CCCC2)cc1 ZINC000031091119 658763647 /nfs/dbraw/zinc/76/36/47/658763647.db2.gz MBTGGBMCBKCSFT-UHFFFAOYSA-N 0 0 309.413 3.286 20 10 DGCDRN C[C@H](Cc1ccco1)[NH2+]Cc1cccc(Br)c1[O-] ZINC000042412004 658772047 /nfs/dbraw/zinc/77/20/47/658772047.db2.gz ZSFBLSDZBVYBJJ-SNVBAGLBSA-N 0 0 310.191 3.469 20 10 DGCDRN COc1ccc(N2CCN(C(=O)C[C@H]3CC[C@H](C)C3)CC2)cc1 ZINC000164248435 658922401 /nfs/dbraw/zinc/92/24/01/658922401.db2.gz OCVOKZANSQNNET-HOTGVXAUSA-N 0 0 316.445 3.170 20 10 DGCDRN Cc1ccc(C)c(NC2=NC(=O)C(=Cc3ccnn3C)S2)c1 ZINC000045110721 658942978 /nfs/dbraw/zinc/94/29/78/658942978.db2.gz FCBLYRJVCVIQOC-ZROIWOOFSA-N 0 0 312.398 3.119 20 10 DGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)OC1CCCC1 ZINC000323837540 659003083 /nfs/dbraw/zinc/00/30/83/659003083.db2.gz RYHIUYWBYQUFAZ-UHFFFAOYSA-N 0 0 318.417 3.034 20 10 DGCDRN CCCN(CCC)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000057660730 659022229 /nfs/dbraw/zinc/02/22/29/659022229.db2.gz FGMSCWFUPOCQCA-UHFFFAOYSA-N 0 0 303.450 3.401 20 10 DGCDRN Cc1cccc(CNc2ccc3c(c2)NC(=O)CS3)c1O ZINC000158063681 659134504 /nfs/dbraw/zinc/13/45/04/659134504.db2.gz GVJMZWNHYFMEOT-UHFFFAOYSA-N 0 0 300.383 3.357 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cc(F)ccc1F ZINC000046686380 659141857 /nfs/dbraw/zinc/14/18/57/659141857.db2.gz APUORXSFFDYADH-UHFFFAOYSA-N 0 0 316.351 3.495 20 10 DGCDRN CCCCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000060460242 659175566 /nfs/dbraw/zinc/17/55/66/659175566.db2.gz NQKIZNPHIYNHNG-SFHVURJKSA-N 0 0 318.461 3.450 20 10 DGCDRN C[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1ccc(F)cc1[O-] ZINC000170788792 659238355 /nfs/dbraw/zinc/23/83/55/659238355.db2.gz CEAGYDRWXWTVPX-LBPRGKRZSA-N 0 0 317.360 3.196 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Cc2cccc(Cl)c2)cc1 ZINC000171404511 659279087 /nfs/dbraw/zinc/27/90/87/659279087.db2.gz RFPJZKOWOUHBQV-UHFFFAOYSA-N 0 0 302.805 3.265 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCc2ccccc2)c1 ZINC000171720567 659295648 /nfs/dbraw/zinc/29/56/48/659295648.db2.gz CLTZDIRYXXTZGZ-CYBMUJFWSA-N 0 0 314.385 3.004 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccccc2F)c1 ZINC000171720545 659295890 /nfs/dbraw/zinc/29/58/90/659295890.db2.gz AFDQDXSKAZOPBM-LLVKDONJSA-N 0 0 318.348 3.100 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)[C@H](C)C(C)C)CC2)cc1 ZINC000171938436 659306991 /nfs/dbraw/zinc/30/69/91/659306991.db2.gz VLIZCZSAQIVAKD-CQSZACIVSA-N 0 0 304.434 3.072 20 10 DGCDRN CCC[C@H](C)CS(=O)(=O)NCc1ccc(N2CCCC2)cc1 ZINC000172088790 659316492 /nfs/dbraw/zinc/31/64/92/659316492.db2.gz DQGAORTXOBUSCZ-HNNXBMFYSA-N 0 0 324.490 3.142 20 10 DGCDRN CCCc1ncc(C(=O)NCc2ccc(N(C)C)c(F)c2)s1 ZINC000172910565 659362599 /nfs/dbraw/zinc/36/25/99/659362599.db2.gz URJZKXRETJFTBD-UHFFFAOYSA-N 0 0 321.421 3.231 20 10 DGCDRN COc1ccc(N(C)Cc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000063616879 659400399 /nfs/dbraw/zinc/40/03/99/659400399.db2.gz YNWRKCQJLSTKJS-UHFFFAOYSA-N 0 0 302.330 3.248 20 10 DGCDRN COc1ccc(N(C)CCOc2ccc(C#N)cc2)cc1OC ZINC000063616752 659400414 /nfs/dbraw/zinc/40/04/14/659400414.db2.gz WJPXQDAQHGVYGW-UHFFFAOYSA-N 0 0 312.369 3.091 20 10 DGCDRN COc1ccc(N(C)C[C@@H](O)c2ccc(F)cc2)cc1OC ZINC000063617190 659400664 /nfs/dbraw/zinc/40/06/64/659400664.db2.gz PGHPKSHXJLLHCX-OAHLLOKOSA-N 0 0 305.349 3.013 20 10 DGCDRN CCc1cnc(NC(=O)NCc2ccc(N(C)C)c(F)c2)s1 ZINC000174228974 659421687 /nfs/dbraw/zinc/42/16/87/659421687.db2.gz IOTODYZBCGBWAP-UHFFFAOYSA-N 0 0 322.409 3.232 20 10 DGCDRN O=C1CCc2cc([N+](=O)[O-])c(Sc3nccs3)cc2N1 ZINC000170639888 659628748 /nfs/dbraw/zinc/62/87/48/659628748.db2.gz GOWFMEIXQMHVPC-UHFFFAOYSA-N 0 0 307.356 3.087 20 10 DGCDRN COc1ccc(N(C)Cc2noc3c2COCC3)cc1Cl ZINC000929828890 659663068 /nfs/dbraw/zinc/66/30/68/659663068.db2.gz MKQLPMQGYIUJIY-UHFFFAOYSA-N 0 0 308.765 3.046 20 10 DGCDRN Nc1ccc(CC(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1 ZINC000238075904 659709003 /nfs/dbraw/zinc/70/90/03/659709003.db2.gz SHBNDGCMDZFUMZ-UHFFFAOYSA-N 0 0 307.353 3.469 20 10 DGCDRN COCCOCCN1CCCc2cc(OC(F)(F)F)ccc21 ZINC000175581195 659925438 /nfs/dbraw/zinc/92/54/38/659925438.db2.gz IEXSMPHMZNQOOT-UHFFFAOYSA-N 0 0 319.323 3.001 20 10 DGCDRN Cc1ccc(C[C@H](C)NC(=O)c2ccc(C)c(O)c2O)s1 ZINC000179510003 659931163 /nfs/dbraw/zinc/93/11/63/659931163.db2.gz GLEGLLXZDBYIHP-JTQLQIEISA-N 0 0 305.399 3.137 20 10 DGCDRN CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccc(C)c(O)c2O)C1 ZINC000179526028 659932980 /nfs/dbraw/zinc/93/29/80/659932980.db2.gz XQVIIBDPAPVKJH-NEPJUHHUSA-N 0 0 309.431 3.152 20 10 DGCDRN C[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccc(OC(F)F)cc1 ZINC000237639496 659933806 /nfs/dbraw/zinc/93/38/06/659933806.db2.gz ADXXGFJMHNPZQZ-LLVKDONJSA-N 0 0 320.339 3.290 20 10 DGCDRN CC[C@@H](CSC)NC(=O)NCCCSc1nccs1 ZINC000179593829 659934367 /nfs/dbraw/zinc/93/43/67/659934367.db2.gz RFZJEMHXWLTNEN-JTQLQIEISA-N 0 0 319.521 3.066 20 10 DGCDRN CCOC(=O)CN(Cc1ccccc1)Cc1cc(F)ccc1O ZINC000179912771 659946186 /nfs/dbraw/zinc/94/61/86/659946186.db2.gz JVEXRBOXSDHCOA-UHFFFAOYSA-N 0 0 317.360 3.097 20 10 DGCDRN CC[C@@H](CSC)NC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000179978603 659948195 /nfs/dbraw/zinc/94/81/95/659948195.db2.gz WQYQZXJIHLYPHW-HNNXBMFYSA-N 0 0 323.506 3.426 20 10 DGCDRN Cc1cccc(CN(C)CC(=O)Nc2cc(F)cc(F)c2)c1O ZINC000180028330 659949575 /nfs/dbraw/zinc/94/95/75/659949575.db2.gz GGGRTWOKWLRUDF-UHFFFAOYSA-N 0 0 320.339 3.049 20 10 DGCDRN COc1cccc(CNC(=O)Cc2c(F)cccc2Cl)c1O ZINC000068488656 659954599 /nfs/dbraw/zinc/95/45/99/659954599.db2.gz KLEJTZBWAJIYPV-UHFFFAOYSA-N 0 0 323.751 3.052 20 10 DGCDRN COc1cccc(CNC(=O)c2ccc(F)cc2Cl)c1O ZINC000068488565 659954631 /nfs/dbraw/zinc/95/46/31/659954631.db2.gz VTYFHEVAXUKQIR-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN C[C@H](CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C1CC1 ZINC000068513643 659955543 /nfs/dbraw/zinc/95/55/43/659955543.db2.gz QICPPHGUFZENJQ-CABCVRRESA-N 0 0 316.445 3.137 20 10 DGCDRN Nc1ccc(CC(=O)NCCCSc2ccccc2)cc1 ZINC000238112216 659959146 /nfs/dbraw/zinc/95/91/46/659959146.db2.gz RGPCFFNGPVWWPA-UHFFFAOYSA-N 0 0 300.427 3.110 20 10 DGCDRN C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000069716651 660016759 /nfs/dbraw/zinc/01/67/59/660016759.db2.gz DIZZAMNLWYXZPI-ZDUSSCGKSA-N 0 0 315.392 3.452 20 10 DGCDRN CCOc1ccc(NC(=S)NCc2ncccc2C)cc1 ZINC000242841582 660038096 /nfs/dbraw/zinc/03/80/96/660038096.db2.gz FWHYWJLOWLFOGK-UHFFFAOYSA-N 0 0 301.415 3.275 20 10 DGCDRN CCn1c2cc(F)ccc2nc1-c1cc(O)c(O)c(OC)c1 ZINC000182240371 660039204 /nfs/dbraw/zinc/03/92/04/660039204.db2.gz IMZWEMQRIQVYIF-UHFFFAOYSA-N 0 0 302.305 3.282 20 10 DGCDRN COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C#N)ccc2F)c1 ZINC000182315269 660042233 /nfs/dbraw/zinc/04/22/33/660042233.db2.gz VBYBSJZUEWSOHN-LLVKDONJSA-N 0 0 300.333 3.262 20 10 DGCDRN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(O)c(Cl)c1 ZINC000070270450 660047561 /nfs/dbraw/zinc/04/75/61/660047561.db2.gz TVTGFORTWAFDAX-UHFFFAOYSA-N 0 0 315.753 3.294 20 10 DGCDRN COc1ccc(O)c([C@H](C)N[C@@H](C)c2nc(C(C)C)no2)c1 ZINC000182431989 660051746 /nfs/dbraw/zinc/05/17/46/660051746.db2.gz LEOVLLKSAJRRHR-QWRGUYRKSA-N 0 0 305.378 3.319 20 10 DGCDRN COc1ccc(O)c([C@@H](C)N[C@H](C)c2nc(C(C)C)no2)c1 ZINC000182432007 660051789 /nfs/dbraw/zinc/05/17/89/660051789.db2.gz LEOVLLKSAJRRHR-GHMZBOCLSA-N 0 0 305.378 3.319 20 10 DGCDRN CCC1(CC)[C@H](N(C)C(=O)c2ccc(C)c(O)c2O)C[C@@H]1OC ZINC000182824955 660082554 /nfs/dbraw/zinc/08/25/54/660082554.db2.gz LBYYUVCEAFQYKR-KGLIPLIRSA-N 0 0 321.417 3.072 20 10 DGCDRN Cc1cnc([C@@H](C)CNC(=O)N(C)Cc2ccccc2O)s1 ZINC000183200515 660103698 /nfs/dbraw/zinc/10/36/98/660103698.db2.gz JKIXEMWBEQWWMV-NSHDSACASA-N 0 0 319.430 3.102 20 10 DGCDRN CCn1cc(N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000183374231 660109294 /nfs/dbraw/zinc/10/92/94/660109294.db2.gz OQSWBQZYWPUBLY-CYBMUJFWSA-N 0 0 318.396 3.052 20 10 DGCDRN CCCN(Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CC[NH2+]C1 ZINC000071314543 660113573 /nfs/dbraw/zinc/11/35/73/660113573.db2.gz JYQRUJJGERNLDS-LBPRGKRZSA-N 0 0 303.233 3.273 20 10 DGCDRN CCCc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000183459165 660115385 /nfs/dbraw/zinc/11/53/85/660115385.db2.gz FADBDOJHJOSJBN-ZDUSSCGKSA-N 0 0 313.397 3.411 20 10 DGCDRN CCC[C@@](C)(NCc1ccc(N2CCCCC2)cc1)C(=O)OC ZINC000184048072 660153957 /nfs/dbraw/zinc/15/39/57/660153957.db2.gz SJDVTNCCJBGZCS-LJQANCHMSA-N 0 0 318.461 3.498 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000184148014 660157003 /nfs/dbraw/zinc/15/70/03/660157003.db2.gz ITXKUIQUFLCKBQ-QMMMGPOBSA-N 0 0 324.283 3.327 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)Nc1nc2c(s1)CCC2 ZINC000929355918 661300394 /nfs/dbraw/zinc/30/03/94/661300394.db2.gz SCIJXGYKUKBZSH-UHFFFAOYSA-N 0 0 323.805 3.313 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)COC(F)(F)F)cc1 ZINC000929536983 661315855 /nfs/dbraw/zinc/31/58/55/661315855.db2.gz HCVGNOVQVWQIFD-UHFFFAOYSA-N 0 0 318.339 3.028 20 10 DGCDRN COc1cc(N(C)C[C@H]2C[C@@H](C)O[C@@H](C)C2)cc(OC)c1OC ZINC000929707999 661330649 /nfs/dbraw/zinc/33/06/49/661330649.db2.gz PZGVOJKYQFFVCU-WDNDVIMCSA-N 0 0 323.433 3.352 20 10 DGCDRN COc1ccc(N(C)CCOC2CCSCC2)c(OC)c1 ZINC000930082266 661364461 /nfs/dbraw/zinc/36/44/61/661364461.db2.gz VSIPWOALRNYCKQ-UHFFFAOYSA-N 0 0 311.447 3.052 20 10 DGCDRN CCCCn1ncc(NC(=O)NCc2c(O)cccc2F)c1C ZINC000930479948 661402754 /nfs/dbraw/zinc/40/27/54/661402754.db2.gz OEMGZCAKOXIXSJ-UHFFFAOYSA-N 0 0 320.368 3.158 20 10 DGCDRN C[C@@H](NC(=O)C1(C)CC=CC1)c1ccc(N2CCOCC2)cc1 ZINC000930744618 661426701 /nfs/dbraw/zinc/42/67/01/661426701.db2.gz LNONDAOAZCOVKM-OAHLLOKOSA-N 0 0 314.429 3.057 20 10 DGCDRN CCOC(=O)CN(CCCC(C)(F)F)Cc1ccccc1O ZINC000930762565 661427921 /nfs/dbraw/zinc/42/79/21/661427921.db2.gz AHIDPBYJWDOKEX-UHFFFAOYSA-N 0 0 315.360 3.193 20 10 DGCDRN CC[C@@H](C)[C@H](NC(=O)N1Cc2cccc(O)c2C1)C(F)(F)F ZINC000931097771 661452220 /nfs/dbraw/zinc/45/22/20/661452220.db2.gz ZQARJNGGUYHXRG-RNCFNFMXSA-N 0 0 316.323 3.394 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2Cc3c[nH]nc3[C@H](C)C2)c1O ZINC000931456963 661478340 /nfs/dbraw/zinc/47/83/40/661478340.db2.gz CYOFLFYXNYNZFL-SECBINFHSA-N 0 0 319.792 3.091 20 10 DGCDRN CCN(C)c1ccc(CN2CCn3nc(C4CC4)cc3C2)cc1 ZINC000932603224 661585192 /nfs/dbraw/zinc/58/51/92/661585192.db2.gz PSKBOSGDCKBTRH-UHFFFAOYSA-N 0 0 310.445 3.232 20 10 DGCDRN C[C@H](NC(=O)[C@@]12CCO[C@@H]1CCCC2)c1ccc(N(C)C)cc1 ZINC000935462903 661787846 /nfs/dbraw/zinc/78/78/46/661787846.db2.gz IFOQGNNRQFGLRK-YJLNNSPDSA-N 0 0 316.445 3.279 20 10 DGCDRN C[C@H](NC(=O)[C@]12CCO[C@H]1CCCC2)c1ccc(N(C)C)cc1 ZINC000935462901 661787864 /nfs/dbraw/zinc/78/78/64/661787864.db2.gz IFOQGNNRQFGLRK-UCLAIMLFSA-N 0 0 316.445 3.279 20 10 DGCDRN C[C@H](NC(=O)[C@@]12CCO[C@H]1CCCC2)c1ccc(N(C)C)cc1 ZINC000935462896 661787889 /nfs/dbraw/zinc/78/78/89/661787889.db2.gz IFOQGNNRQFGLRK-FNHZYXHNSA-N 0 0 316.445 3.279 20 10 DGCDRN CC1(C)CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000155718669 661851651 /nfs/dbraw/zinc/85/16/51/661851651.db2.gz BYXJCWUJUOCPHX-UHFFFAOYSA-N 0 0 313.445 3.394 20 10 DGCDRN COc1ccc(O)c(CNC(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC000155935241 661855769 /nfs/dbraw/zinc/85/57/69/661855769.db2.gz UDLAXZAMNKXRFB-RUDMXATFSA-N 0 0 317.772 3.384 20 10 DGCDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)Cc1ccccc1O ZINC000156081840 661857784 /nfs/dbraw/zinc/85/77/84/661857784.db2.gz HEFNRZYTFTXUHX-UHFFFAOYSA-N 0 0 315.329 3.273 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cc(F)cc2cccnc21 ZINC000156214194 661860213 /nfs/dbraw/zinc/86/02/13/661860213.db2.gz IBCUBCZMIQNQIN-UHFFFAOYSA-N 0 0 310.328 3.352 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2ccc3c(c2)COC3)cc1 ZINC000156265248 661861346 /nfs/dbraw/zinc/86/13/46/661861346.db2.gz LXZBWOOMTBBJIW-UHFFFAOYSA-N 0 0 311.385 3.105 20 10 DGCDRN CN1CCCc2cc(CNC(=O)Nc3ccsc3)ccc21 ZINC000157631881 661868286 /nfs/dbraw/zinc/86/82/86/661868286.db2.gz SLFNWVWEWPFCAR-UHFFFAOYSA-N 0 0 301.415 3.452 20 10 DGCDRN COCCCNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000047465930 661877378 /nfs/dbraw/zinc/87/73/78/661877378.db2.gz QJNWXLDFQHUGRO-UHFFFAOYSA-N 0 0 300.402 3.169 20 10 DGCDRN CC[C@H]1CC(=O)N(CN2CCCc3cc(OC(F)F)ccc32)C1 ZINC000158829766 661878807 /nfs/dbraw/zinc/87/88/07/661878807.db2.gz WLSQFMNCFUSLJD-LBPRGKRZSA-N 0 0 324.371 3.257 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000159107181 661882531 /nfs/dbraw/zinc/88/25/31/661882531.db2.gz CRDXUNVPFQECFE-UONOGXRCSA-N 0 0 317.772 3.171 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000159106941 661882660 /nfs/dbraw/zinc/88/26/60/661882660.db2.gz CRDXUNVPFQECFE-KBPBESRZSA-N 0 0 317.772 3.171 20 10 DGCDRN CCOc1cccc(NC(=O)N(C)Cc2ccccc2O)c1 ZINC000048120507 661885715 /nfs/dbraw/zinc/88/57/15/661885715.db2.gz AEZNIFOJSSDSMZ-UHFFFAOYSA-N 0 0 300.358 3.455 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)COC/C=C/c1ccccc1 ZINC000159643037 661892339 /nfs/dbraw/zinc/89/23/39/661892339.db2.gz HWZWBEIYADYJMV-JXMROGBWSA-N 0 0 311.381 3.081 20 10 DGCDRN CC(C)c1cccc(S(=O)(=O)N(C)Cc2ccccc2O)c1 ZINC000159649661 661892519 /nfs/dbraw/zinc/89/25/19/661892519.db2.gz DKLUUTZXXRSLRA-UHFFFAOYSA-N 0 0 319.426 3.336 20 10 DGCDRN CC[C@](C)(O)CNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000075225488 661921713 /nfs/dbraw/zinc/92/17/13/661921713.db2.gz UEMBUYZOXSEBQK-SFHVURJKSA-N 0 0 318.392 3.124 20 10 DGCDRN COc1ccccc1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000076275522 661976669 /nfs/dbraw/zinc/97/66/69/661976669.db2.gz MKDASBTYUQMYMI-UHFFFAOYSA-N 0 0 312.413 3.268 20 10 DGCDRN CC(C)NC(=O)CN(C)c1ccc(OCc2ccccc2)cc1 ZINC000189645109 661985734 /nfs/dbraw/zinc/98/57/34/661985734.db2.gz AIRICPDYGMZFFW-UHFFFAOYSA-N 0 0 312.413 3.226 20 10 DGCDRN CCOC1CC(CC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000189789234 661991412 /nfs/dbraw/zinc/99/14/12/661991412.db2.gz XCHAPJRIDBAFFD-UHFFFAOYSA-N 0 0 316.445 3.108 20 10 DGCDRN COCCN(Cc1cncc(C)c1)c1ccc(OC)c(OC)c1 ZINC000189957256 661998980 /nfs/dbraw/zinc/99/89/80/661998980.db2.gz VCLHEAMEWXUEDS-UHFFFAOYSA-N 0 0 316.401 3.060 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cc(-c2cccs2)n[nH]1 ZINC000077258415 662018315 /nfs/dbraw/zinc/01/83/15/662018315.db2.gz NMHYTVMKSGBUOO-UHFFFAOYSA-N 0 0 313.382 3.116 20 10 DGCDRN COc1cccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2C)c1O ZINC000077613929 662034166 /nfs/dbraw/zinc/03/41/66/662034166.db2.gz VXIXWFZSDLDARW-JKSUJKDBSA-N 0 0 311.381 3.129 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)CCSC ZINC000077643519 662035209 /nfs/dbraw/zinc/03/52/09/662035209.db2.gz MYSPHADZALBDRR-AWEZNQCLSA-N 0 0 323.506 3.426 20 10 DGCDRN COc1ccc(O)c(CNC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000078726268 662082902 /nfs/dbraw/zinc/08/29/02/662082902.db2.gz MCQLCULOMXQUEL-UHFFFAOYSA-N 0 0 315.413 3.233 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2cc(F)cc(F)c2)cc1 ZINC000078926207 662090536 /nfs/dbraw/zinc/09/05/36/662090536.db2.gz CNFVMDBYHPLUJE-UHFFFAOYSA-N 0 0 304.340 3.303 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1 ZINC000079391302 662109329 /nfs/dbraw/zinc/10/93/29/662109329.db2.gz XPCVAYGTALHQLH-FMIVXFBMSA-N 0 0 309.413 3.257 20 10 DGCDRN Cc1cc(NC(=O)N(C)Cc2ccccc2O)ccc1N(C)C ZINC000079673142 662117535 /nfs/dbraw/zinc/11/75/35/662117535.db2.gz HMKDWGVHJAQWPF-UHFFFAOYSA-N 0 0 313.401 3.431 20 10 DGCDRN CC(=O)CCCOC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000193010732 662120439 /nfs/dbraw/zinc/12/04/39/662120439.db2.gz BRPOHPFQJXUBHS-UHFFFAOYSA-N 0 0 300.358 3.015 20 10 DGCDRN COc1cccc(CNC(=O)CCCc2ccc(C)s2)c1O ZINC000080023443 662127633 /nfs/dbraw/zinc/12/76/33/662127633.db2.gz TVBRIQLHZHUKQN-UHFFFAOYSA-N 0 0 319.426 3.410 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)CCCOc1cccc(F)c1 ZINC000080357024 662137737 /nfs/dbraw/zinc/13/77/37/662137737.db2.gz MYQRCEXHVQISKS-UHFFFAOYSA-N 0 0 317.360 3.349 20 10 DGCDRN Cc1cc(C(=O)NCc2cc[nH]n2)c(C)n1-c1cccc(C)c1 ZINC000194463715 662165962 /nfs/dbraw/zinc/16/59/62/662165962.db2.gz HCILJUKWVWUPPX-UHFFFAOYSA-N 0 0 308.385 3.056 20 10 DGCDRN COc1cccc(/C(C)=C/C(=O)N(C)Cc2ccccc2O)c1 ZINC000081751062 662172185 /nfs/dbraw/zinc/17/21/85/662172185.db2.gz JYXZRKPHCDEWTR-SDNWHVSQSA-N 0 0 311.381 3.463 20 10 DGCDRN CN1C(=O)/C(=C\c2cccc(OC(F)F)c2)SC1=S ZINC000195291457 662183575 /nfs/dbraw/zinc/18/35/75/662183575.db2.gz FUXCWWFSMSTTRT-RMKNXTFCSA-N 0 0 301.339 3.119 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Cc2cccc(F)c2F)c1 ZINC000088360172 662230857 /nfs/dbraw/zinc/23/08/57/662230857.db2.gz AMFBECZIWYFNMW-SNVBAGLBSA-N 0 0 321.323 3.099 20 10 DGCDRN COc1cccc(CNC(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)c1O ZINC000248558372 662353580 /nfs/dbraw/zinc/35/35/80/662353580.db2.gz AGXZVKZOZAVQQP-OUCADQQQSA-N 0 0 306.406 3.025 20 10 DGCDRN CCc1ccc([C@@H]2COCCN2Cc2ccc(N(C)C)cc2)o1 ZINC000093459163 662355259 /nfs/dbraw/zinc/35/52/59/662355259.db2.gz PHQDCSAIWADCBU-SFHVURJKSA-N 0 0 314.429 3.482 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)C(F)(F)c1ccc(F)cc1 ZINC000139781847 685076523 /nfs/dbraw/zinc/07/65/23/685076523.db2.gz FDXDMSAJBMTGKP-UHFFFAOYSA-N 0 0 309.287 3.282 20 10 DGCDRN COc1ccc(N(C)Cc2cc(F)ccc2[N+](=O)[O-])cc1OC ZINC000140337480 685077421 /nfs/dbraw/zinc/07/74/21/685077421.db2.gz FPKLFOAXCITXAE-UHFFFAOYSA-N 0 0 320.320 3.388 20 10 DGCDRN COc1ccc(N(C)CCOc2ccccc2F)cc1OC ZINC000140272324 685077909 /nfs/dbraw/zinc/07/79/09/685077909.db2.gz IONSWKXOUUQAOF-UHFFFAOYSA-N 0 0 305.349 3.358 20 10 DGCDRN C[C@H](NC(=O)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000145443634 685086482 /nfs/dbraw/zinc/08/64/82/685086482.db2.gz UXXYPEUYQWITKM-HNNXBMFYSA-N 0 0 310.397 3.014 20 10 DGCDRN CC1(C)C[C@H]([NH2+]Cc2cccc(Br)c2[O-])CCO1 ZINC000160515818 685099989 /nfs/dbraw/zinc/09/99/89/685099989.db2.gz AMNLFGXXRQLOJI-LLVKDONJSA-N 0 0 314.223 3.202 20 10 DGCDRN CCOc1cccc(CN[C@H](C)c2nc(C(C)(C)C)no2)c1O ZINC000174662931 685106432 /nfs/dbraw/zinc/10/64/32/685106432.db2.gz WILKPEFQJKEELE-LLVKDONJSA-N 0 0 319.405 3.322 20 10 DGCDRN [O-]c1c(Br)cccc1C[NH2+]CC[C@@H]1CCCCO1 ZINC000227336037 685117932 /nfs/dbraw/zinc/11/79/32/685117932.db2.gz DCGRPERKKMJYLU-LBPRGKRZSA-N 0 0 314.223 3.204 20 10 DGCDRN CC(=O)Nc1ccc(NC(=O)Cc2ccc(N)cc2)cc1Cl ZINC000386055602 685176423 /nfs/dbraw/zinc/17/64/23/685176423.db2.gz GOPGHTYMDOVNFG-UHFFFAOYSA-N 0 0 317.776 3.062 20 10 DGCDRN C[C@@H](CCOCc1ccccc1)NC(=O)Nc1ccc(N)cc1 ZINC000390116261 685199076 /nfs/dbraw/zinc/19/90/76/685199076.db2.gz CMEKDWRPJFAIPL-AWEZNQCLSA-N 0 0 313.401 3.386 20 10 DGCDRN CCOC(=O)c1cnc(Sc2nc(CC)cs2)s1 ZINC000394901049 685224139 /nfs/dbraw/zinc/22/41/39/685224139.db2.gz NEADBYLIEPWETK-UHFFFAOYSA-N 0 0 300.430 3.490 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1C[C@H](C(F)(F)F)OC[C@H]1C ZINC001659756346 1196411226 /nfs/dbraw/zinc/41/12/26/1196411226.db2.gz PFGLMZYTJMYIGY-IUODEOHRSA-N 0 0 316.367 3.213 20 10 DGCDRN CCOc1ccc(SCC(=O)NCc2ccc(N)cc2)cc1 ZINC001578187336 1191930598 /nfs/dbraw/zinc/93/05/98/1191930598.db2.gz ZWEXSZOXWRHODK-UHFFFAOYSA-N 0 0 316.426 3.076 20 10 DGCDRN COc1cccc(-c2noc([C@@H](C)NCc3ccc(N)cc3)n2)c1 ZINC001579255362 1191970851 /nfs/dbraw/zinc/97/08/51/1191970851.db2.gz SYPOXSCKCHCBGO-GFCCVEGCSA-N 0 0 324.384 3.178 20 10 DGCDRN Cn1nc(C(=O)Nc2ccc(N)cc2)cc1-c1ccc(F)cc1 ZINC001579989992 1192001982 /nfs/dbraw/zinc/00/19/82/1192001982.db2.gz ZKWWZVVEDVJURY-UHFFFAOYSA-N 0 0 310.332 3.061 20 10 DGCDRN N[C@@H](C[N@H+](Cc1ccccc1O)C1CCCC1)CC(F)(F)F ZINC001580128237 1192008796 /nfs/dbraw/zinc/00/87/96/1192008796.db2.gz UJOGJVVFVUBSJM-CYBMUJFWSA-N 0 0 316.367 3.417 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)C[C@@H]2CCC[C@H]2C)cc1 ZINC001585450343 1192261657 /nfs/dbraw/zinc/26/16/57/1192261657.db2.gz UEXIPNKCMYLVAH-CVEARBPZSA-N 0 0 318.461 3.416 20 10 DGCDRN O=C(NCCc1nsc2ccccc12)C1=CC(=O)CS1 ZINC001585675766 1192273403 /nfs/dbraw/zinc/27/34/03/1192273403.db2.gz AUNFUTRNPYQHGN-UHFFFAOYSA-N 0 0 304.396 3.036 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](CC(C)C)OC)cc1F ZINC001585697758 1192275338 /nfs/dbraw/zinc/27/53/38/1192275338.db2.gz ABVWYBXTNOUYEF-QGZVFWFLSA-N 0 0 324.440 3.349 20 10 DGCDRN Cc1cccc2c1CCC[C@@H]2NC(=O)Cc1ccc(O)c(O)c1 ZINC001585581555 1192270095 /nfs/dbraw/zinc/27/00/95/1192270095.db2.gz NBNUIKVXXZRZAR-INIZCTEOSA-N 0 0 311.381 3.143 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)NC1(c2cccc(Cl)c2)CC1 ZINC001586444180 1192331010 /nfs/dbraw/zinc/33/10/10/1192331010.db2.gz IEPVVQWWZPMMGH-UHFFFAOYSA-N 0 0 317.772 3.099 20 10 DGCDRN COc1ccc2c(ccn2CC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001587447232 1192400561 /nfs/dbraw/zinc/40/05/61/1192400561.db2.gz MSINQRVLSVLYOP-ZDUSSCGKSA-N 0 0 324.380 3.233 20 10 DGCDRN Cc1nc2ccccc2cc1C(=O)N1Cc2cccc(O)c2C1 ZINC001587928107 1192425525 /nfs/dbraw/zinc/42/55/25/1192425525.db2.gz JUMPXTCTYADARI-UHFFFAOYSA-N 0 0 304.349 3.405 20 10 DGCDRN COc1ccc(CNc2ccc3c(c2)ncn3C)c(F)c1OC ZINC001620840550 1192439548 /nfs/dbraw/zinc/43/95/48/1192439548.db2.gz HZRIQUCUODYFEA-UHFFFAOYSA-N 0 0 315.348 3.342 20 10 DGCDRN CCOc1ccc(N(C)Cc2ccc(-c3nn[nH]n3)cc2C)cc1 ZINC001590837439 1192539911 /nfs/dbraw/zinc/53/99/11/1192539911.db2.gz PULOFFYWUHSTBG-UHFFFAOYSA-N 0 0 323.400 3.210 20 10 DGCDRN CCOc1ccc(N(C)Cc2ccc(-c3nn[nH]n3)c(C)c2)cc1 ZINC001590837641 1192543089 /nfs/dbraw/zinc/54/30/89/1192543089.db2.gz SULIDWBGPXZKGU-UHFFFAOYSA-N 0 0 323.400 3.210 20 10 DGCDRN Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001592259267 1192606793 /nfs/dbraw/zinc/60/67/93/1192606793.db2.gz KPOBGAYPDFFRNW-CHWSQXEVSA-N 0 0 323.400 3.293 20 10 DGCDRN Cc1ccc(C(=O)NCc2cccc(O)c2O)cc1-n1cccc1 ZINC001593739862 1192640133 /nfs/dbraw/zinc/64/01/33/1192640133.db2.gz YIKVOEDCTSCIDA-UHFFFAOYSA-N 0 0 322.364 3.127 20 10 DGCDRN C[C@H](C(=O)NCc1cccc(O)c1O)c1ccc(Cl)s1 ZINC001593739726 1192640294 /nfs/dbraw/zinc/64/02/94/1192640294.db2.gz UKUWIYPLKOKTAF-QMMMGPOBSA-N 0 0 311.790 3.233 20 10 DGCDRN O=C(NCc1c(O)cccc1F)C(F)(F)c1ccc(F)cc1 ZINC001596913431 1192710995 /nfs/dbraw/zinc/71/09/95/1192710995.db2.gz YJTTUPSRFIIMAZ-UHFFFAOYSA-N 0 0 313.250 3.079 20 10 DGCDRN Cc1noc(C2CC2)c1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001597477168 1192734252 /nfs/dbraw/zinc/73/42/52/1192734252.db2.gz OFNAKEVAPBARLK-UHFFFAOYSA-N 0 0 313.317 3.275 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1cc(C2CC2)oc1C1CC1 ZINC001597579177 1192738989 /nfs/dbraw/zinc/73/89/89/1192738989.db2.gz IUAQTHSTOKBUTQ-UHFFFAOYSA-N 0 0 313.353 3.376 20 10 DGCDRN CCSc1ccccc1CC(=O)NCc1c(O)cccc1O ZINC001597579712 1192739065 /nfs/dbraw/zinc/73/90/65/1192739065.db2.gz RDDANSQBNISDQV-UHFFFAOYSA-N 0 0 317.410 3.069 20 10 DGCDRN COc1cccc(C(=O)NCc2c(O)ccc3ccccc32)c1 ZINC001597737170 1192744451 /nfs/dbraw/zinc/74/44/51/1192744451.db2.gz RVDOHEWVUOTVJJ-UHFFFAOYSA-N 0 0 307.349 3.484 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1ccc2c(c1)CCO2 ZINC001597737227 1192744685 /nfs/dbraw/zinc/74/46/85/1192744685.db2.gz SOHHJHSAQWOYJA-UHFFFAOYSA-N 0 0 319.360 3.410 20 10 DGCDRN Cc1occc1CN(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001598346866 1192771408 /nfs/dbraw/zinc/77/14/08/1192771408.db2.gz LSDLUXOYFJPLOP-UHFFFAOYSA-N 0 0 317.366 3.486 20 10 DGCDRN C[C@@]1(CNC(=O)c2cccc(O)c2O)CCCc2ccccc21 ZINC001598439034 1192774383 /nfs/dbraw/zinc/77/43/83/1192774383.db2.gz BCOHGIYOFGDRMF-IBGZPJMESA-N 0 0 311.381 3.122 20 10 DGCDRN Cc1cc(O)c(C[N@@H+]2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1Cl ZINC001600286634 1192826701 /nfs/dbraw/zinc/82/67/01/1192826701.db2.gz SYRYAAHYFBRHMF-CXAGYDPISA-N 0 0 323.820 3.431 20 10 DGCDRN C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cc(F)cc(F)c1 ZINC001179689407 1177804680 /nfs/dbraw/zinc/80/46/80/1177804680.db2.gz OKWDNHLFXPKCCR-RXNUUUNCSA-N 0 0 319.307 3.267 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCc1cccc(C(F)F)c1 ZINC001179687691 1177804749 /nfs/dbraw/zinc/80/47/49/1177804749.db2.gz SWCRQZDQXMMRHN-FNORWQNLSA-N 0 0 319.307 3.365 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCCOC1CCCCC1 ZINC001331549834 1178244076 /nfs/dbraw/zinc/24/40/76/1178244076.db2.gz AOEIJWHITRKIHP-CLFYSBASSA-N 0 0 306.358 3.004 20 10 DGCDRN C[C@H](CC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccco1 ZINC001331554527 1178244820 /nfs/dbraw/zinc/24/48/20/1178244820.db2.gz RVCZAXRVXYAILE-GFCCVEGCSA-N 0 0 304.365 3.295 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H]2CC[C@H]2C)cc1 ZINC001331730041 1178275199 /nfs/dbraw/zinc/27/51/99/1178275199.db2.gz IHAJKSDPJGJLHN-YJYMSZOUSA-N 0 0 324.424 3.364 20 10 DGCDRN C[C@H](NC(=O)c1ccccc1N1CCCC1=O)c1ccccc1O ZINC001332381117 1178432020 /nfs/dbraw/zinc/43/20/20/1178432020.db2.gz LAEXKDJDTQHZQP-ZDUSSCGKSA-N 0 0 324.380 3.010 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cnn(C2CCCCC2)c1 ZINC001332466501 1178452756 /nfs/dbraw/zinc/45/27/56/1178452756.db2.gz YYWSRTLXTLFFNO-UHFFFAOYSA-N 0 0 317.364 3.163 20 10 DGCDRN CCOCc1ccc(NC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC001333462059 1178608339 /nfs/dbraw/zinc/60/83/39/1178608339.db2.gz OBTMHEPBFKKPDS-UHFFFAOYSA-N 0 0 312.369 3.476 20 10 DGCDRN Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001600808649 1192899949 /nfs/dbraw/zinc/89/99/49/1192899949.db2.gz WTFRGMPSDHZFEH-RKDXNWHRSA-N 0 0 304.346 3.107 20 10 DGCDRN Cc1cc(C)c(NC(=O)CN(C)Cc2ccc(N)cc2)c(C)c1 ZINC001334754833 1178791973 /nfs/dbraw/zinc/79/19/73/1178791973.db2.gz SQANLPUBEOCFPW-UHFFFAOYSA-N 0 0 311.429 3.265 20 10 DGCDRN Cc1ccc(C[C@@H](C)NC(=O)NCc2ccc(N)cc2)c(C)c1 ZINC001335478864 1178917353 /nfs/dbraw/zinc/91/73/53/1178917353.db2.gz WSMKQLVIYIDROR-OAHLLOKOSA-N 0 0 311.429 3.316 20 10 DGCDRN CCOCCC1(CNC(=O)NCc2ccc(N)cc2)CCCC1 ZINC001335540423 1178929768 /nfs/dbraw/zinc/92/97/68/1178929768.db2.gz OUIXMQGVVBYZMW-UHFFFAOYSA-N 0 0 319.449 3.055 20 10 DGCDRN CCc1ccc2c(c1)CCN2C(=O)NCCc1ccc(N)cc1 ZINC001335590833 1178933504 /nfs/dbraw/zinc/93/35/04/1178933504.db2.gz QZYWXFYKOFZURG-UHFFFAOYSA-N 0 0 309.413 3.146 20 10 DGCDRN CCN(CCc1cccs1)C(=O)NCc1ccc(N)cc1 ZINC001335737742 1178946749 /nfs/dbraw/zinc/94/67/49/1178946749.db2.gz TZNIJUQPJDAPNQ-UHFFFAOYSA-N 0 0 303.431 3.105 20 10 DGCDRN Nc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)cc1 ZINC001336117997 1178995143 /nfs/dbraw/zinc/99/51/43/1178995143.db2.gz UJVCCYSJIDEEKG-LJQANCHMSA-N 0 0 323.440 3.053 20 10 DGCDRN O=C([O-])[C@@H](C[NH2+]Cc1ccc(Cl)cc1O)C1CCCCC1 ZINC001601653959 1192935902 /nfs/dbraw/zinc/93/59/02/1192935902.db2.gz UXBKSGVMYZYDFY-AWEZNQCLSA-N 0 0 311.809 3.416 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1CCC(C)(F)CC1 ZINC001342568177 1179154734 /nfs/dbraw/zinc/15/47/34/1179154734.db2.gz HHMMEAIBENYTHX-UHFFFAOYSA-N 0 0 310.398 3.061 20 10 DGCDRN Cc1cc(C(=O)OCc2nccn2C)c(C)n1-c1ccccc1C ZINC001342621981 1179161697 /nfs/dbraw/zinc/16/16/97/1179161697.db2.gz SXGPAPLYBUBQCI-UHFFFAOYSA-N 0 0 323.396 3.493 20 10 DGCDRN CCn1c([C@H]2CC=CCC2)nnc1N(C)Cc1ccccc1O ZINC001342670866 1179171538 /nfs/dbraw/zinc/17/15/38/1179171538.db2.gz NQZXOHUEOLMLIQ-AWEZNQCLSA-N 0 0 312.417 3.464 20 10 DGCDRN O=C([O-])CC[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001601976815 1192954183 /nfs/dbraw/zinc/95/41/83/1192954183.db2.gz YFWVQUWBHUFLDR-INIZCTEOSA-N 0 0 316.445 3.364 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cc(CC)n(C)n1 ZINC001344731120 1179472776 /nfs/dbraw/zinc/47/27/76/1179472776.db2.gz UHPCDMJHWGKWSC-UHFFFAOYSA-N 0 0 315.417 3.131 20 10 DGCDRN CCO[C@@H](CCNC(=O)NCc1ccc(N)cc1)C1CCCC1 ZINC001346367490 1179690495 /nfs/dbraw/zinc/69/04/95/1179690495.db2.gz QRWABLYJOGAXPR-KRWDZBQOSA-N 0 0 319.449 3.053 20 10 DGCDRN CC[C@H](C)n1nccc1C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC001346695966 1179736457 /nfs/dbraw/zinc/73/64/57/1179736457.db2.gz OSZZJZJSKPYJQJ-RYUDHWBXSA-N 0 0 317.389 3.059 20 10 DGCDRN C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)NCc1ccc(N)cc1 ZINC001346740234 1179740886 /nfs/dbraw/zinc/74/08/86/1179740886.db2.gz ZCGDLHZBUFKHHC-MAUKXSAKSA-N 0 0 323.440 3.432 20 10 DGCDRN Cc1nc(C)c(C(=O)Nc2c3nonc3ccc2Cl)s1 ZINC001346941522 1179763578 /nfs/dbraw/zinc/76/35/78/1179763578.db2.gz UJMDGCLYCSJINR-UHFFFAOYSA-N 0 0 308.750 3.202 20 10 DGCDRN CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccnc1N(C)C ZINC001347131001 1179781626 /nfs/dbraw/zinc/78/16/26/1179781626.db2.gz YAXRSUGVYBTVQH-UHFFFAOYSA-N 0 0 312.461 3.236 20 10 DGCDRN CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NCc1cccc(O)c1O ZINC001349078504 1179872871 /nfs/dbraw/zinc/87/28/71/1179872871.db2.gz HPIPAIHKDLOKJI-INWMFGNUSA-N 0 0 321.417 3.088 20 10 DGCDRN Cc1cc(N2CC=C(c3ccc(Cl)nc3)CC2)nc(F)n1 ZINC001350007679 1179996480 /nfs/dbraw/zinc/99/64/80/1179996480.db2.gz NLGNCTKOADFULX-UHFFFAOYSA-N 0 0 304.756 3.266 20 10 DGCDRN Cc1cccc(N(CC(C)(C)C)C(=O)/C=C/c2cnn(C)c2)n1 ZINC001350181147 1180031531 /nfs/dbraw/zinc/03/15/31/1180031531.db2.gz XIRCFTGQUXTHFV-MDZDMXLPSA-N 0 0 312.417 3.216 20 10 DGCDRN Cc1ccc([C@@H]2C[C@H]2C(=O)NCc2cccc(O)c2O)cc1C ZINC001350299596 1180048067 /nfs/dbraw/zinc/04/80/67/1180048067.db2.gz FPSOHTRVLQAGED-JKSUJKDBSA-N 0 0 311.381 3.135 20 10 DGCDRN Cc1ccc(CCCCC(=O)NCc2cccc(O)c2O)cc1 ZINC001350300203 1180048659 /nfs/dbraw/zinc/04/86/59/1180048659.db2.gz NXTAGPVZHVWPFO-UHFFFAOYSA-N 0 0 313.397 3.435 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1CCSCC1 ZINC001351163313 1180181950 /nfs/dbraw/zinc/18/19/50/1180181950.db2.gz OEPLIBIORQQRJE-UHFFFAOYSA-N 0 0 318.486 3.388 20 10 DGCDRN Cc1ccc2c(c1)C=C(C(=O)NCc1ccc(N(C)C)cc1)CO2 ZINC001351265307 1180193229 /nfs/dbraw/zinc/19/32/29/1180193229.db2.gz CAEJQOGSHRLZMY-UHFFFAOYSA-N 0 0 322.408 3.153 20 10 DGCDRN CC[C@H](SC)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001352615963 1180370124 /nfs/dbraw/zinc/37/01/24/1180370124.db2.gz VFHVKRHRRCSRID-INIZCTEOSA-N 0 0 306.475 3.387 20 10 DGCDRN O=C(CC(C1CCC1)C1CCC1)NCc1cccc(O)c1O ZINC001352672852 1180377729 /nfs/dbraw/zinc/37/77/29/1180377729.db2.gz YXNZBDWNETVZSA-UHFFFAOYSA-N 0 0 303.402 3.321 20 10 DGCDRN COC(=O)[C@](C)(NCc1cc(C)c(C)cc1O)c1ccccc1 ZINC001352879442 1180414135 /nfs/dbraw/zinc/41/41/35/1180414135.db2.gz VBVZLNHKXOPPDX-LJQANCHMSA-N 0 0 313.397 3.187 20 10 DGCDRN O=C(NCc1c(O)cccc1F)Nc1cc(F)c(F)cc1F ZINC001200234183 1180471995 /nfs/dbraw/zinc/47/19/95/1180471995.db2.gz ZTWOBUABFPZANQ-UHFFFAOYSA-N 0 0 314.238 3.270 20 10 DGCDRN Cn1cnc(/C=C\C(=O)N2CCSc3ccc(Cl)cc32)c1 ZINC001353158343 1180479008 /nfs/dbraw/zinc/47/90/08/1180479008.db2.gz UMBUHJMCIGBXLG-HYXAFXHYSA-N 0 0 319.817 3.226 20 10 DGCDRN Nc1ccc(CNC(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC001353261973 1180512419 /nfs/dbraw/zinc/51/24/19/1180512419.db2.gz TYIWJHRFWWPVRA-HLLBOEOZSA-N 0 0 301.434 3.427 20 10 DGCDRN CSc1cccnc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001300260810 1180526876 /nfs/dbraw/zinc/52/68/76/1180526876.db2.gz HETHSIGORVXDAP-UHFFFAOYSA-N 0 0 315.358 3.218 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@]2(C)CCC[C@@H]2C)cc1 ZINC001300279572 1180543939 /nfs/dbraw/zinc/54/39/39/1180543939.db2.gz HXVYTCMQEQNTLG-HNAYVOBHSA-N 0 0 318.461 3.416 20 10 DGCDRN C[C@H]1CCc2ccccc2[C@H]1NC(=O)NCc1ccc(N)cc1 ZINC001353394274 1180548350 /nfs/dbraw/zinc/54/83/50/1180548350.db2.gz XHDHBQPDBWEFCK-UGSOOPFHSA-N 0 0 309.413 3.392 20 10 DGCDRN CC(C)CN(Cc1ccccn1)C(=O)NCc1ccc(N)cc1 ZINC001353532192 1180580855 /nfs/dbraw/zinc/58/08/55/1180580855.db2.gz VNHXNMZRAHPVJE-UHFFFAOYSA-N 0 0 312.417 3.032 20 10 DGCDRN Nc1ccc(CNC(=O)N(CCC(F)(F)F)CC2CC2)cc1 ZINC001353538815 1180583866 /nfs/dbraw/zinc/58/38/66/1180583866.db2.gz CTWNRWJKAFBWKB-UHFFFAOYSA-N 0 0 315.339 3.143 20 10 DGCDRN CCO[C@@H](C(=O)NCc1cc(Cl)ccc1O)C1CCCC1 ZINC001300396339 1180638755 /nfs/dbraw/zinc/63/87/55/1180638755.db2.gz OQJBEMOBTQTWFO-OAHLLOKOSA-N 0 0 311.809 3.257 20 10 DGCDRN O=C(C[C@@H]1OCc2ccccc21)NCc1cc(Cl)ccc1O ZINC001300395909 1180639445 /nfs/dbraw/zinc/63/94/45/1180639445.db2.gz HATKZWQDSSLXRB-INIZCTEOSA-N 0 0 317.772 3.323 20 10 DGCDRN COCC(C)(C)CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001353912313 1180682322 /nfs/dbraw/zinc/68/23/22/1180682322.db2.gz XEMDBHUENWJZQG-UHFFFAOYSA-N 0 0 318.461 3.308 20 10 DGCDRN S=C(NCc1ccco1)N1CCc2cccc(Cl)c2C1 ZINC001200559290 1180719313 /nfs/dbraw/zinc/71/93/13/1180719313.db2.gz LNHFHLVGJSAZIR-UHFFFAOYSA-N 0 0 306.818 3.366 20 10 DGCDRN CCOc1cccc(CNC(=S)Nc2ccc(F)c(F)c2)n1 ZINC001200705404 1180839288 /nfs/dbraw/zinc/83/92/88/1180839288.db2.gz HIVYSUNCYCAKGL-UHFFFAOYSA-N 0 0 323.368 3.245 20 10 DGCDRN C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccncc1)c1ccc(N(C)C)cc1 ZINC001354908227 1180931873 /nfs/dbraw/zinc/93/18/73/1180931873.db2.gz AQUKXALTURXZOW-JEBQAFNWSA-N 0 0 309.413 3.129 20 10 DGCDRN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1(CC)CC ZINC001200822064 1180939762 /nfs/dbraw/zinc/93/97/62/1180939762.db2.gz QQUBNNOCKNRERF-HZPDHXFCSA-N 0 0 322.405 3.374 20 10 DGCDRN CCO[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1(CC)CC ZINC001200822062 1180940295 /nfs/dbraw/zinc/94/02/95/1180940295.db2.gz QQUBNNOCKNRERF-CVEARBPZSA-N 0 0 322.405 3.374 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CC=C(C(=O)[O-])C1)c1cc2c(cc1O)CCCC2 ZINC001604329403 1193065129 /nfs/dbraw/zinc/06/51/29/1193065129.db2.gz JYLNOBUGRXTSFO-IAQYHMDHSA-N 0 0 301.386 3.095 20 10 DGCDRN CC[NH+]1CCN(c2ccc(NCc3ccc(N)cc3)c(C)c2)CC1 ZINC001356083511 1181138393 /nfs/dbraw/zinc/13/83/93/1181138393.db2.gz QPBZIWXHIHQLPH-UHFFFAOYSA-N 0 0 324.472 3.331 20 10 DGCDRN C[C@H]1C[C@H](C)[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C1 ZINC001604664196 1193087261 /nfs/dbraw/zinc/08/72/61/1193087261.db2.gz DOMYCHVJFGQPCC-QWRGUYRKSA-N 0 0 304.365 3.246 20 10 DGCDRN Cc1c(F)cccc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001357192021 1181367375 /nfs/dbraw/zinc/36/73/75/1181367375.db2.gz HSJAXHQGHZSVNT-UHFFFAOYSA-N 0 0 304.340 3.269 20 10 DGCDRN COc1cc2c(c(OC)c1)N(C[C@@H]1C[C@@H]3CCC[C@H]3O1)CCC2 ZINC001473553108 1181546444 /nfs/dbraw/zinc/54/64/44/1181546444.db2.gz BRKBKHXEDZKADF-RRQGHBQHSA-N 0 0 317.429 3.414 20 10 DGCDRN CCN(C(=O)/C=C/c1cccnc1C)c1ccccc1C(=O)OC ZINC001435117993 1181790682 /nfs/dbraw/zinc/79/06/82/1181790682.db2.gz FHPLRGHBRXJKLM-VAWYXSNFSA-N 0 0 324.380 3.243 20 10 DGCDRN CN(Cc1ccc2ccccc2c1)C(=O)Cc1ccc(O)c(O)c1 ZINC001440340207 1182036430 /nfs/dbraw/zinc/03/64/30/1182036430.db2.gz GNBANOWHNPBQCZ-UHFFFAOYSA-N 0 0 321.376 3.452 20 10 DGCDRN O=C(Nc1ccccc1O)c1cc2cc(O)c(O)cc2s1 ZINC001441975594 1182071880 /nfs/dbraw/zinc/07/18/80/1182071880.db2.gz FVQUPOFHJKKQOW-UHFFFAOYSA-N 0 0 301.323 3.270 20 10 DGCDRN C/C=C\[C@H](O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC001442442979 1182082510 /nfs/dbraw/zinc/08/25/10/1182082510.db2.gz BKNAIVDWQIHHET-BHSUKZTGSA-N 0 0 316.445 3.009 20 10 DGCDRN COc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c(C)c1 ZINC001443193713 1182096527 /nfs/dbraw/zinc/09/65/27/1182096527.db2.gz YETFDVQNNZCHOY-UHFFFAOYSA-N 0 0 312.329 3.418 20 10 DGCDRN CN(OCc1ccccc1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001446528492 1182170257 /nfs/dbraw/zinc/17/02/57/1182170257.db2.gz DTQFOFWIJWQFFQ-UHFFFAOYSA-N 0 0 312.329 3.053 20 10 DGCDRN C[C@H](NC(=O)c1ccc(F)c(C=O)c1)c1ccc(N(C)C)cc1 ZINC001447972748 1182199591 /nfs/dbraw/zinc/19/95/91/1182199591.db2.gz QLANRGBTKUNCHJ-LBPRGKRZSA-N 0 0 314.360 3.195 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)CCc1cc(C)n[nH]1 ZINC001448442978 1182207774 /nfs/dbraw/zinc/20/77/74/1182207774.db2.gz ZJONEILRHQZLCX-UHFFFAOYSA-N 0 0 315.417 3.185 20 10 DGCDRN CSCCONC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001448869679 1182217338 /nfs/dbraw/zinc/21/73/38/1182217338.db2.gz JPPVSBAPGPSTJX-UHFFFAOYSA-N 0 0 318.442 3.047 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CC2CCC1CC2 ZINC001452140647 1182282628 /nfs/dbraw/zinc/28/26/28/1182282628.db2.gz NGOWPJWSXRCHMX-IZCQJLNMSA-N 0 0 301.386 3.054 20 10 DGCDRN Cc1ccc(CCNC(=O)/C=C\c2ccc(O)c(O)c2)cc1C ZINC001453039947 1182309464 /nfs/dbraw/zinc/30/94/64/1182309464.db2.gz CFJYAGRTXCTSCL-VURMDHGXSA-N 0 0 311.381 3.087 20 10 DGCDRN Cc1cc(CNC(=O)c2cccn2C)c(C)n1-c1ccccc1 ZINC001454622030 1182348881 /nfs/dbraw/zinc/34/88/81/1182348881.db2.gz BPSMFELOYVMYOP-UHFFFAOYSA-N 0 0 307.397 3.363 20 10 DGCDRN C[C@H](NC(=O)c1ccc(-n2cccn2)cc1)c1ccccc1O ZINC001454820565 1182353758 /nfs/dbraw/zinc/35/37/58/1182353758.db2.gz SAMCKBNYPCITEN-ZDUSSCGKSA-N 0 0 307.353 3.069 20 10 DGCDRN O=C(c1cccc(Br)c1)N1Cc2cccc(O)c2C1 ZINC001455036705 1182358718 /nfs/dbraw/zinc/35/87/18/1182358718.db2.gz JIXSALFAQCORKX-UHFFFAOYSA-N 0 0 318.170 3.311 20 10 DGCDRN C[C@@H](CCc1ccc(F)cc1)C(=O)NCc1cc(O)ccc1O ZINC001455356157 1182366887 /nfs/dbraw/zinc/36/68/87/1182366887.db2.gz XIUUTMIUGNWSDX-LBPRGKRZSA-N 0 0 317.360 3.122 20 10 DGCDRN CN(C(=O)/C=C/c1cn(C)cn1)c1cc(Cl)cc(Cl)c1 ZINC001456300284 1182409123 /nfs/dbraw/zinc/40/91/23/1182409123.db2.gz PICODYNZWDJQQQ-ONEGZZNKSA-N 0 0 310.184 3.403 20 10 DGCDRN CC(F)(F)c1ccc(C(=O)NCc2c(O)cccc2O)cc1 ZINC001456313830 1182409499 /nfs/dbraw/zinc/40/94/99/1182409499.db2.gz IJMZMFXSBDDHCD-UHFFFAOYSA-N 0 0 307.296 3.140 20 10 DGCDRN CC1(C)C(C)(C)C1(C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001456829576 1182431255 /nfs/dbraw/zinc/43/12/55/1182431255.db2.gz XMHYCVALMFSNJU-UHFFFAOYSA-N 0 0 302.378 3.404 20 10 DGCDRN O=C(Nc1ccnn1C1CC1)c1cc2cc(O)c(O)cc2s1 ZINC001457063405 1182441853 /nfs/dbraw/zinc/44/18/53/1182441853.db2.gz SZVFTFQFRMDVGG-UHFFFAOYSA-N 0 0 315.354 3.096 20 10 DGCDRN Oc1ccc(Cl)cc1CNc1nccc(C(F)(F)F)n1 ZINC001458473207 1182528174 /nfs/dbraw/zinc/52/81/74/1182528174.db2.gz LMGRLLDGBARNDT-UHFFFAOYSA-N 0 0 303.671 3.467 20 10 DGCDRN Cc1ncccc1/C=C/C(=O)N1C[C@H](C)Oc2c(F)cccc21 ZINC001459125060 1182569906 /nfs/dbraw/zinc/56/99/06/1182569906.db2.gz NWPAMABUAMCOQF-BCPZQOPPSA-N 0 0 312.344 3.356 20 10 DGCDRN CCOC(=O)CN(Cc1ccc(N(C)C)c(C)c1)CC(C)C ZINC001459420344 1182586682 /nfs/dbraw/zinc/58/66/82/1182586682.db2.gz SAJZWFFHHFAVSG-UHFFFAOYSA-N 0 0 306.450 3.082 20 10 DGCDRN CCN(CC)c1ccc(CNc2cc(CO)ccn2)cc1F ZINC001461594909 1182833547 /nfs/dbraw/zinc/83/35/47/1182833547.db2.gz OJLLFINUKYLXPM-UHFFFAOYSA-N 0 0 303.381 3.171 20 10 DGCDRN Cn1cc(/C=C\C(=O)N2CCCCc3cc(Cl)ccc32)cn1 ZINC001461611633 1182834758 /nfs/dbraw/zinc/83/47/58/1182834758.db2.gz KGZHTPNOPUPPIO-YVMONPNESA-N 0 0 315.804 3.456 20 10 DGCDRN COc1cc(NCc2cc(F)c(N(C)C)cc2F)cnc1OC ZINC001461638912 1182836042 /nfs/dbraw/zinc/83/60/42/1182836042.db2.gz XUWFVOVKOPMGBQ-UHFFFAOYSA-N 0 0 323.343 3.055 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC[C@H](O)C1CCCC1 ZINC001461700184 1182844674 /nfs/dbraw/zinc/84/46/74/1182844674.db2.gz RXOHQNIUELGLMQ-ZDUSSCGKSA-N 0 0 301.789 3.216 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC[C@@H](O)C1CCCC1 ZINC001461700183 1182844829 /nfs/dbraw/zinc/84/48/29/1182844829.db2.gz RXOHQNIUELGLMQ-CYBMUJFWSA-N 0 0 301.789 3.216 20 10 DGCDRN C[C@H](c1ccccc1)[N@H+](CCO)Cc1cc(F)cc(F)c1[O-] ZINC001461955317 1182885741 /nfs/dbraw/zinc/88/57/41/1182885741.db2.gz CMTHKELFZBRZPZ-GFCCVEGCSA-N 0 0 307.340 3.226 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC001462521136 1182963799 /nfs/dbraw/zinc/96/37/99/1182963799.db2.gz HWZALVIRWUQRAZ-VHSXEESVSA-N 0 0 301.814 3.370 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CC[C@@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001462588483 1182972954 /nfs/dbraw/zinc/97/29/54/1182972954.db2.gz FWHLHJSFNAMJGK-VXGBXAGGSA-N 0 0 308.378 3.177 20 10 DGCDRN C[C@@H](CC(N)=O)c1ccc(NCc2cc(F)ccc2O)cc1 ZINC001462604557 1182975191 /nfs/dbraw/zinc/97/51/91/1182975191.db2.gz QPODBQRHAFBRMI-NSHDSACASA-N 0 0 302.349 3.122 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCc1ccc[nH]1 ZINC001465457357 1183150821 /nfs/dbraw/zinc/15/08/21/1183150821.db2.gz MZPVGAWYYHIPJB-UHFFFAOYSA-N 0 0 321.380 3.165 20 10 DGCDRN COCc1csc(C(=O)NCc2cccc(Cl)c2O)c1 ZINC001606867711 1193206570 /nfs/dbraw/zinc/20/65/70/1193206570.db2.gz AUFQKBSLYXBYRM-UHFFFAOYSA-N 0 0 311.790 3.184 20 10 DGCDRN CNc1ccc(C(F)(F)F)cc1C(=O)NCc1ccccc1O ZINC001465990954 1183181867 /nfs/dbraw/zinc/18/18/67/1183181867.db2.gz YIJYJHWRRLRPMH-UHFFFAOYSA-N 0 0 324.302 3.383 20 10 DGCDRN COc1cccc(NC(=O)N[C@H](C)c2ccccc2O)c1OC ZINC001467264124 1183249940 /nfs/dbraw/zinc/24/99/40/1183249940.db2.gz SBAUJMQUUFEZHX-LLVKDONJSA-N 0 0 316.357 3.292 20 10 DGCDRN Cc1cc(NC(=O)N2Cc3cccc(O)c3C2)cc(Cl)n1 ZINC001467365996 1183258039 /nfs/dbraw/zinc/25/80/39/1183258039.db2.gz IMQWSNJUFSKOAI-UHFFFAOYSA-N 0 0 303.749 3.297 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC001468744504 1183354500 /nfs/dbraw/zinc/35/45/00/1183354500.db2.gz SZTYFLRNGFASFX-IAOVAPTHSA-N 0 0 301.434 3.049 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC001468744506 1183355186 /nfs/dbraw/zinc/35/51/86/1183355186.db2.gz SZTYFLRNGFASFX-KBRIMQKVSA-N 0 0 301.434 3.049 20 10 DGCDRN O=C(NCc1c(O)cccc1F)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC001468787081 1183359392 /nfs/dbraw/zinc/35/93/92/1183359392.db2.gz OEYMOCJYFGYXRF-FRRDWIJNSA-N 0 0 306.381 3.299 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)c2cnccn2)cc1 ZINC001469677075 1183429054 /nfs/dbraw/zinc/42/90/54/1183429054.db2.gz CPOLULFLZKMBFI-OAHLLOKOSA-N 0 0 320.396 3.375 20 10 DGCDRN CSCC1(CC[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)CC1 ZINC001607393099 1193226842 /nfs/dbraw/zinc/22/68/42/1193226842.db2.gz HKCHFRACINKFEU-NSHDSACASA-N 0 0 309.431 3.274 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC001471111779 1183539031 /nfs/dbraw/zinc/53/90/31/1183539031.db2.gz FEHWVBFCNPEAKQ-MGPQQGTHSA-N 0 0 318.442 3.451 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@@H](CF)c1ccc(F)cc1 ZINC001471139663 1183541219 /nfs/dbraw/zinc/54/12/19/1183541219.db2.gz WMAJAHBVVWOBMN-HNNXBMFYSA-N 0 0 320.339 3.384 20 10 DGCDRN C[C@H](NC(=O)COc1ccccc1Cl)c1ccccc1O ZINC001471194628 1183545624 /nfs/dbraw/zinc/54/56/24/1183545624.db2.gz NEJCPEPWNDJDOM-NSHDSACASA-N 0 0 305.761 3.302 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1cnccn1 ZINC001607431548 1193230033 /nfs/dbraw/zinc/23/00/33/1193230033.db2.gz VIGXFTYARCZASE-UHFFFAOYSA-N 0 0 320.396 3.123 20 10 DGCDRN CC(F)(F)c1ccc(C(=O)NCc2cccc(O)c2O)cc1 ZINC001471642170 1183580051 /nfs/dbraw/zinc/58/00/51/1183580051.db2.gz MNGWMOSJALVQGT-UHFFFAOYSA-N 0 0 307.296 3.140 20 10 DGCDRN CO[C@H](C(=O)NCc1cccc(Cl)c1O)c1ccc(F)cc1 ZINC001472317087 1183634376 /nfs/dbraw/zinc/63/43/76/1183634376.db2.gz UXKCCTUHUVMAGZ-HNNXBMFYSA-N 0 0 323.751 3.189 20 10 DGCDRN CC(=O)c1cc(C(=O)NCc2cccc(Cl)c2O)cs1 ZINC001472317124 1183634499 /nfs/dbraw/zinc/63/44/99/1183634499.db2.gz WSRZPXPIXUPUAA-UHFFFAOYSA-N 0 0 309.774 3.240 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1cccc2cc[nH]c21 ZINC001472316854 1183634544 /nfs/dbraw/zinc/63/45/44/1183634544.db2.gz JSFDKQFDIIWMFU-UHFFFAOYSA-N 0 0 300.745 3.457 20 10 DGCDRN CCN(Cc1cn(C)nc1Br)c1ccc(OC)cc1 ZINC001473247453 1183734709 /nfs/dbraw/zinc/73/47/09/1183734709.db2.gz TVFWVUZXHQUDAZ-UHFFFAOYSA-N 0 0 324.222 3.218 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CC(F)(F)CC[C@H]2C)c1O ZINC001473880189 1183817964 /nfs/dbraw/zinc/81/79/64/1183817964.db2.gz SXRJFSSEQRDVIE-SECBINFHSA-N 0 0 301.308 3.354 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])C(=O)Nc1ccccc1 ZINC001473996810 1183847292 /nfs/dbraw/zinc/84/72/92/1183847292.db2.gz ZSVASHBBVPKIFE-SNVBAGLBSA-N 0 0 322.767 3.302 20 10 DGCDRN CN(C)c1ccc(/C=C\CNc2ccc3c(c2)nnn3C)cc1 ZINC001474190627 1183880562 /nfs/dbraw/zinc/88/05/62/1183880562.db2.gz XUHCATCBFJJVBP-PLNGDYQASA-N 0 0 307.401 3.160 20 10 DGCDRN Cc1cc(O)c(C[NH2+]Cc2ccccc2CC(=O)[O-])c(Cl)c1 ZINC001607698710 1193249749 /nfs/dbraw/zinc/24/97/49/1193249749.db2.gz DSMVRKGWZYGTRA-UHFFFAOYSA-N 0 0 319.788 3.271 20 10 DGCDRN COC(=O)CN(C/C=C\c1ccc(N(C)C)cc1)C1CCCC1 ZINC001474345911 1183907336 /nfs/dbraw/zinc/90/73/36/1183907336.db2.gz XIWVWNHWIUZRCB-SREVYHEPSA-N 0 0 316.445 3.183 20 10 DGCDRN CCC[N@H+](CCN(CC)CC)Cc1ccc(F)c(F)c1[O-] ZINC001474424108 1183919883 /nfs/dbraw/zinc/91/98/83/1183919883.db2.gz FNIRBXLXXOPBTE-UHFFFAOYSA-N 0 0 300.393 3.224 20 10 DGCDRN COc1ccc(N(C)Cc2cc(-c3ccccn3)n[nH]2)cc1F ZINC001474432185 1183920933 /nfs/dbraw/zinc/92/09/33/1183920933.db2.gz YTCUTRWVLHGRSQ-UHFFFAOYSA-N 0 0 312.348 3.256 20 10 DGCDRN CN(C[C@H]1CCN(c2ccccc2)C1)c1ccc2c(c1)OCO2 ZINC001474431918 1183921120 /nfs/dbraw/zinc/92/11/20/1183921120.db2.gz RVEGPHKBSWWWRM-OAHLLOKOSA-N 0 0 310.397 3.378 20 10 DGCDRN Cc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccc(F)c(C)c2)c(O)c1 ZINC001607783350 1193257171 /nfs/dbraw/zinc/25/71/71/1193257171.db2.gz ZNBGYIOXYNPPMV-INIZCTEOSA-N 0 0 303.333 3.064 20 10 DGCDRN COc1cc(NC(=O)NCc2c(O)cccc2F)c(C)cc1C ZINC001476485163 1184041095 /nfs/dbraw/zinc/04/10/95/1184041095.db2.gz VDEBUTOQPLSLGY-UHFFFAOYSA-N 0 0 318.348 3.478 20 10 DGCDRN C[C@H](NC(=O)Nc1cnc2[nH]ccc2c1)c1ccc(N(C)C)cc1 ZINC001477079254 1184067730 /nfs/dbraw/zinc/06/77/30/1184067730.db2.gz IBBSOFGQXLPYNT-LBPRGKRZSA-N 0 0 323.400 3.463 20 10 DGCDRN Cc1cccc2c1CC[C@H]2NC(=O)NCc1c(O)cccc1F ZINC001477830723 1184114283 /nfs/dbraw/zinc/11/42/83/1184114283.db2.gz QYUJNINFVSOEPN-MRXNPFEDSA-N 0 0 314.360 3.326 20 10 DGCDRN COc1cc(F)cc(CNC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001478239552 1184136726 /nfs/dbraw/zinc/13/67/26/1184136726.db2.gz AQDGAZDBDPVRAT-NSHDSACASA-N 0 0 318.348 3.100 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC/C=C\Cl ZINC001478840989 1184180336 /nfs/dbraw/zinc/18/03/36/1184180336.db2.gz MWYCQQWIZGVWGX-DMTLFAOVSA-N 0 0 309.841 3.044 20 10 DGCDRN O=C([O-])[C@]1(F)CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC001608575688 1193294543 /nfs/dbraw/zinc/29/45/43/1193294543.db2.gz NEIBQHBRKPQLTD-SFHVURJKSA-N 0 0 315.344 3.058 20 10 DGCDRN C[C@H](CCc1ccco1)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001609740392 1193353378 /nfs/dbraw/zinc/35/33/78/1193353378.db2.gz DYIQMBDSGXAFQH-VXGBXAGGSA-N 0 0 303.358 3.355 20 10 DGCDRN C[C@H](Cc1ccsc1)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001609750097 1193354136 /nfs/dbraw/zinc/35/41/36/1193354136.db2.gz MCYZRWMVPGJAFK-GHMZBOCLSA-N 0 0 305.399 3.434 20 10 DGCDRN C[C@H]([NH2+][C@H]1COCc2ccccc21)c1cc(C(=O)[O-])ccc1O ZINC001609774830 1193355146 /nfs/dbraw/zinc/35/51/46/1193355146.db2.gz CAAXWAVOIHIBMT-ZBEGNZNMSA-N 0 0 313.353 3.013 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C(=O)[O-])c1ccsc1)c1ccc(N(C)C)cc1 ZINC001609778269 1193355642 /nfs/dbraw/zinc/35/56/42/1193355642.db2.gz YKHCGBQDGBZDPJ-IAQYHMDHSA-N 0 0 304.415 3.291 20 10 DGCDRN C[C@H]([NH2+][C@@H](C(=O)[O-])c1ccsc1)c1ccc(N(C)C)cc1 ZINC001609778273 1193355829 /nfs/dbraw/zinc/35/58/29/1193355829.db2.gz YKHCGBQDGBZDPJ-XHDPSFHLSA-N 0 0 304.415 3.291 20 10 DGCDRN C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001609839048 1193359698 /nfs/dbraw/zinc/35/96/98/1193359698.db2.gz HJHAYZBKHAWMCS-QGPMSJSTSA-N 0 0 316.445 3.266 20 10 DGCDRN CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)C12CCC2 ZINC001610034666 1193373058 /nfs/dbraw/zinc/37/30/58/1193373058.db2.gz UBSMXLTVBNFHKB-KNXALSJPSA-N 0 0 319.401 3.089 20 10 DGCDRN Cc1csc([C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)n1 ZINC001611355463 1193431548 /nfs/dbraw/zinc/43/15/48/1193431548.db2.gz FREARHDDLDZHCU-SECBINFHSA-N 0 0 317.374 3.105 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)C3(CF)CCC3)C2)cc1 ZINC001514841829 1186732015 /nfs/dbraw/zinc/73/20/15/1186732015.db2.gz HEJFEYZXBNITKJ-AWEZNQCLSA-N 0 0 321.392 3.205 20 10 DGCDRN CCN(c1ccc(C(=O)NCc2ccc(N)cc2)cc1)C(C)C ZINC001515331283 1186754143 /nfs/dbraw/zinc/75/41/43/1186754143.db2.gz DLLNXLPKYRQERD-UHFFFAOYSA-N 0 0 311.429 3.434 20 10 DGCDRN CCCN(Cc1ccccc1O)c1cc(OCC)nc(C)n1 ZINC001612115211 1193447176 /nfs/dbraw/zinc/44/71/76/1193447176.db2.gz XHHGNKTVBMOLFE-UHFFFAOYSA-N 0 0 301.390 3.306 20 10 DGCDRN C[C@@H]1[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1(F)F ZINC001518875701 1186855076 /nfs/dbraw/zinc/85/50/76/1186855076.db2.gz TYLIRRZXFDNXSK-ABAIWWIYSA-N 0 0 308.372 3.145 20 10 DGCDRN C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1c2nonc2ccc1Cl ZINC001520359752 1186936370 /nfs/dbraw/zinc/93/63/70/1186936370.db2.gz VLBSYFKBGZWKLV-ZYUZMQFOSA-N 0 0 305.765 3.497 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@H]2C[C@H]2C2CCCC2)cc1 ZINC001520906664 1186978481 /nfs/dbraw/zinc/97/84/81/1186978481.db2.gz TWCZHMAZKOFAJJ-HIFRSBDPSA-N 0 0 314.389 3.405 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Cc2cccc3ncccc23)cc1 ZINC001523212000 1187140620 /nfs/dbraw/zinc/14/06/20/1187140620.db2.gz KISZHPCKSZHOBT-UHFFFAOYSA-N 0 0 319.408 3.160 20 10 DGCDRN CSCCCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001525107440 1187296923 /nfs/dbraw/zinc/29/69/23/1187296923.db2.gz RTWDBOCSWGDZLL-UHFFFAOYSA-N 0 0 306.475 3.388 20 10 DGCDRN CCc1nnc(N2CCCC2)n1CCCSc1nccs1 ZINC001614005692 1193481442 /nfs/dbraw/zinc/48/14/42/1193481442.db2.gz OQPSQBASMFCQHU-UHFFFAOYSA-N 0 0 323.491 3.080 20 10 DGCDRN Cc1cc(CC(=O)Nc2cncnc2)c(C)n1-c1ccccc1 ZINC001528202832 1187475117 /nfs/dbraw/zinc/47/51/17/1187475117.db2.gz AMGCCQQSCPWVRB-UHFFFAOYSA-N 0 0 306.369 3.065 20 10 DGCDRN CC[C@@H](Cc1ccccc1C)C(=O)NCc1cccc(O)c1O ZINC001528771650 1187511585 /nfs/dbraw/zinc/51/15/85/1187511585.db2.gz SKSODNYNJZBGCZ-AWEZNQCLSA-N 0 0 313.397 3.291 20 10 DGCDRN C/C(=C\C(=O)N(CC(F)F)c1ccc(F)cc1)c1cnccn1 ZINC001531489966 1187691593 /nfs/dbraw/zinc/69/15/93/1187691593.db2.gz KUYXGNAJIIUNDU-DHZHZOJOSA-N 0 0 321.302 3.317 20 10 DGCDRN CC[C@@H]1OCC[C@H]1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001531706356 1187706634 /nfs/dbraw/zinc/70/66/34/1187706634.db2.gz RHCUKZBAKRCKFY-MSOLQXFVSA-N 0 0 316.445 3.060 20 10 DGCDRN C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001532654731 1187774850 /nfs/dbraw/zinc/77/48/50/1187774850.db2.gz BLSIFIOWPYRXQD-KQTLUZQSSA-N 0 0 314.429 3.160 20 10 DGCDRN Cc1ncccc1/C=C/C(=O)N1CCOc2ccc(Cl)cc21 ZINC001532997858 1187800821 /nfs/dbraw/zinc/80/08/21/1187800821.db2.gz CVRLDRLYAUQRTK-QPJJXVBHSA-N 0 0 314.772 3.482 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)NCC(C)(C)F)ccc21 ZINC001534465212 1187901567 /nfs/dbraw/zinc/90/15/67/1187901567.db2.gz WJXLPEGNSILFHX-UHFFFAOYSA-N 0 0 320.408 3.382 20 10 DGCDRN Cc1cncc(/C=C/C(=O)N2CCOc3c(C)cc(C)cc32)c1 ZINC001538075645 1188117462 /nfs/dbraw/zinc/11/74/62/1188117462.db2.gz AQOQZBXQYXZWHI-SNAWJCMRSA-N 0 0 308.381 3.446 20 10 DGCDRN Cc1cnc(C(=O)Nc2c3nonc3ccc2Cl)cc1C ZINC001539059143 1188176278 /nfs/dbraw/zinc/17/62/78/1188176278.db2.gz MXILENZQYOQWRN-UHFFFAOYSA-N 0 0 302.721 3.140 20 10 DGCDRN CCCC[C@@H](O)CCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001539188476 1188181393 /nfs/dbraw/zinc/18/13/93/1188181393.db2.gz QWPNXCBUYUMZIX-QGZVFWFLSA-N 0 0 306.450 3.042 20 10 DGCDRN CC1(C)CN(C(=O)Cc2ccc(O)c(O)c2)[C@@H]1c1ccccc1 ZINC001542309117 1188281956 /nfs/dbraw/zinc/28/19/56/1188281956.db2.gz ADLMKIQUFXIWLB-GOSISDBHSA-N 0 0 311.381 3.250 20 10 DGCDRN Cc1cc(CNC(=O)c2cscn2)c(C)n1-c1ccccc1 ZINC001544080095 1188376875 /nfs/dbraw/zinc/37/68/75/1188376875.db2.gz KAFKYNKAYIFTEE-UHFFFAOYSA-N 0 0 311.410 3.481 20 10 DGCDRN CCC(C)(C)Cn1c(C)nnc1N(C)Cc1ccccc1O ZINC001545187807 1188425032 /nfs/dbraw/zinc/42/50/32/1188425032.db2.gz OALDTCOOTYLCKW-UHFFFAOYSA-N 0 0 302.422 3.365 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)C3C(C)(C)C3(C)C)C2)cc1 ZINC001617262460 1193563990 /nfs/dbraw/zinc/56/39/90/1193563990.db2.gz HWFDWAZJPOTKEH-ZDUSSCGKSA-N 0 0 316.445 3.072 20 10 DGCDRN COc1ccc2[nH]c(NC(=O)/C=C/c3ccc(O)c(O)c3)cc2c1 ZINC001556179991 1188988279 /nfs/dbraw/zinc/98/82/79/1188988279.db2.gz ZAUZLHLHSWUPFR-XVNBXDOJSA-N 0 0 324.336 3.240 20 10 DGCDRN CC(C)[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)c2ccccc21 ZINC001556456399 1189001917 /nfs/dbraw/zinc/00/19/17/1189001917.db2.gz JAUVLTIQIFFOCY-OAHLLOKOSA-N 0 0 311.381 3.427 20 10 DGCDRN Cc1ccccc1CCN(C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001556772081 1189019319 /nfs/dbraw/zinc/01/93/19/1189019319.db2.gz WUJXZGNQYGKWMC-NTMALXAHSA-N 0 0 311.381 3.121 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cnc(-c3ccccc3)[nH]2)c1 ZINC001557552146 1189070945 /nfs/dbraw/zinc/07/09/45/1189070945.db2.gz FRVQDUVBJZADKD-UHFFFAOYSA-N 0 0 307.353 3.021 20 10 DGCDRN CCOc1cccc(/C=C\C(=O)NCc2cc(C)ccc2O)c1 ZINC001557553721 1189071966 /nfs/dbraw/zinc/07/19/66/1189071966.db2.gz ZHVPNTHNPPQGQW-NTMALXAHSA-N 0 0 311.381 3.429 20 10 DGCDRN C[C@H](NC(=O)[C@@H]1CCOc2c(F)cccc21)c1ccccc1O ZINC001557968558 1189095647 /nfs/dbraw/zinc/09/56/47/1189095647.db2.gz IPCZHQVQJIJQPH-SMDDNHRTSA-N 0 0 315.344 3.275 20 10 DGCDRN C[C@H](NC(=O)c1coc(Br)c1)c1ccccc1O ZINC001557968277 1189095856 /nfs/dbraw/zinc/09/58/56/1189095856.db2.gz WZIKIQNQCMGZOV-QMMMGPOBSA-N 0 0 310.147 3.239 20 10 DGCDRN O=C(CCSCc1ccccc1)NCc1c(O)cccc1F ZINC001558454822 1189126210 /nfs/dbraw/zinc/12/62/10/1189126210.db2.gz NAMHVMBZORRNHT-UHFFFAOYSA-N 0 0 319.401 3.471 20 10 DGCDRN O=C(CCSc1ccccc1F)NCc1c(O)cccc1F ZINC001558454244 1189126395 /nfs/dbraw/zinc/12/63/95/1189126395.db2.gz CJSBOESNOZGCDP-UHFFFAOYSA-N 0 0 323.364 3.469 20 10 DGCDRN Cc1cc(C(=O)NC2CSC2)c(C)n1-c1cccc(C)c1 ZINC001558489799 1189127974 /nfs/dbraw/zinc/12/79/74/1189127974.db2.gz XQIZEGXMLRDOKG-UHFFFAOYSA-N 0 0 300.427 3.248 20 10 DGCDRN Cc1ccc2[nH]c(C(=O)NCc3c(O)cccc3O)cc2c1C ZINC001558534811 1189131955 /nfs/dbraw/zinc/13/19/55/1189131955.db2.gz YAXSWUCZNJIYST-UHFFFAOYSA-N 0 0 310.353 3.126 20 10 DGCDRN COc1ccc(O)c([C@H](C)Nc2ncnc(-c3ccccc3)n2)c1 ZINC001559099273 1189170390 /nfs/dbraw/zinc/17/03/90/1189170390.db2.gz MSPYVUMERBNQNB-LBPRGKRZSA-N 0 0 322.368 3.426 20 10 DGCDRN O=[N+]([O-])c1ccc(N2Cc3cccc(O)c3C2)cc1OC(F)F ZINC001559263559 1189188932 /nfs/dbraw/zinc/18/89/32/1189188932.db2.gz XHNIHORAJAPGSU-UHFFFAOYSA-N 0 0 322.267 3.422 20 10 DGCDRN CC[C@H](NCc1cc(Cl)cc(C(C)=O)c1O)c1noc(C)n1 ZINC001559736978 1189236188 /nfs/dbraw/zinc/23/61/88/1189236188.db2.gz SKCWPCUAFDLJBT-ZDUSSCGKSA-N 0 0 323.780 3.181 20 10 DGCDRN CC(=O)c1cc(F)cc(C[N@@H+]2CCCSC[C@H]2C2CC2)c1[O-] ZINC001560188533 1189288945 /nfs/dbraw/zinc/28/89/45/1189288945.db2.gz OSFUXOOLTOQKCJ-INIZCTEOSA-N 0 0 323.433 3.451 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCc2ccc(F)cc2Cl)c1 ZINC001560319403 1189311479 /nfs/dbraw/zinc/31/14/79/1189311479.db2.gz DKCHRRYULXMZRS-UHFFFAOYSA-N 0 0 324.739 3.425 20 10 DGCDRN COc1ccncc1NCc1cc(C)cc(Br)c1O ZINC001560407924 1189324698 /nfs/dbraw/zinc/32/46/98/1189324698.db2.gz NIEIMJRUSLHNCR-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+]CCCCCCO)c1 ZINC001560414813 1189325882 /nfs/dbraw/zinc/32/58/82/1189325882.db2.gz LUCUMIPNWMQJMC-UHFFFAOYSA-N 0 0 316.239 3.105 20 10 DGCDRN O=c1[nH]c2cc(C[NH2+]Cc3c([O-])ccc(Cl)c3F)ccc2o1 ZINC001560580475 1189344132 /nfs/dbraw/zinc/34/41/32/1189344132.db2.gz WUFSWNNNZNXGSD-UHFFFAOYSA-N 0 0 322.723 3.321 20 10 DGCDRN CN(C)c1cc(F)c(CNc2cccc3c2COC3=O)cc1F ZINC001560868452 1189397673 /nfs/dbraw/zinc/39/76/73/1189397673.db2.gz HDVZOIRNUUJKRT-UHFFFAOYSA-N 0 0 318.323 3.313 20 10 DGCDRN [O-]c1c(F)c(F)ccc1C[NH2+][C@@H](CO)c1ccc(Cl)cc1 ZINC001560954486 1189410397 /nfs/dbraw/zinc/41/03/97/1189410397.db2.gz RIHMJEXZIWJCHQ-ZDUSSCGKSA-N 0 0 313.731 3.147 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc3c(n2)CCCC3)c1 ZINC001563249932 1189502978 /nfs/dbraw/zinc/50/29/78/1189502978.db2.gz XTOAQTKEMPZCRZ-UHFFFAOYSA-N 0 0 311.385 3.296 20 10 DGCDRN Cc1cc(CNC(=O)NCc2cccc(Cl)c2O)ccc1F ZINC001563540122 1189519619 /nfs/dbraw/zinc/51/96/19/1189519619.db2.gz JGTSHPGKRSHZOC-UHFFFAOYSA-N 0 0 322.767 3.493 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCCC2CC=CC2)cc1F ZINC001563810575 1189535499 /nfs/dbraw/zinc/53/54/99/1189535499.db2.gz GZUZSVZSEOTGMS-UHFFFAOYSA-N 0 0 305.397 3.047 20 10 DGCDRN O=C(NCc1c(O)cccc1F)NC[C@H]1CCC[C@H]1C1CC1 ZINC001564921807 1189606997 /nfs/dbraw/zinc/60/69/97/1189606997.db2.gz MCLMPUHCDXXVMJ-OLZOCXBDSA-N 0 0 306.381 3.157 20 10 DGCDRN C[C@H]1C[C@H](CNC(=O)N2Cc3cccc(O)c3C2)C[C@@H](C)C1 ZINC001565044305 1189617049 /nfs/dbraw/zinc/61/70/49/1189617049.db2.gz KMKWTGXXNMITHU-WDNDVIMCSA-N 0 0 302.418 3.490 20 10 DGCDRN Cc1cc(F)c(CNC(=O)N(C)Cc2ccccc2O)c(F)c1 ZINC001565396684 1189643093 /nfs/dbraw/zinc/64/30/93/1189643093.db2.gz KLBOPGWFGHNDRS-UHFFFAOYSA-N 0 0 320.339 3.320 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1cccc(C(F)F)c1F ZINC001566358847 1189764777 /nfs/dbraw/zinc/76/47/77/1189764777.db2.gz NUYYVLKIFMJHSZ-UHFFFAOYSA-N 0 0 311.259 3.105 20 10 DGCDRN CCc1cccc(N(C)C(=O)c2cccnc2-c2cnn(C)c2)c1 ZINC001570145220 1190803296 /nfs/dbraw/zinc/80/32/96/1190803296.db2.gz LXQQITRGMCVHBS-UHFFFAOYSA-N 0 0 320.396 3.321 20 10 DGCDRN Cc1ccc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)n1C ZINC001570417131 1190854344 /nfs/dbraw/zinc/85/43/44/1190854344.db2.gz UPQXMGMHCUPFFI-CQSZACIVSA-N 0 0 313.445 3.069 20 10 DGCDRN Cc1ccc2c(c1)CCN(C(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001570489747 1190869230 /nfs/dbraw/zinc/86/92/30/1190869230.db2.gz WJJLGTVEUPNVNW-UHFFFAOYSA-N 0 0 322.368 3.356 20 10 DGCDRN CC(C)c1ccc(C(=O)NCc2ccc3cccnc3c2O)nc1 ZINC001570533721 1190878580 /nfs/dbraw/zinc/87/85/80/1190878580.db2.gz NYRXMTZPNAJSHI-UHFFFAOYSA-N 0 0 321.380 3.389 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)c2cnccn2)cc1 ZINC001570801656 1190951734 /nfs/dbraw/zinc/95/17/34/1190951734.db2.gz CPOLULFLZKMBFI-HNNXBMFYSA-N 0 0 320.396 3.375 20 10 DGCDRN COc1ccc(N(CC[C@@H]2COC(C)(C)O2)CC2CC2)cc1 ZINC001618018348 1193721289 /nfs/dbraw/zinc/72/12/89/1193721289.db2.gz KLAGHKLXMXBHBL-QGZVFWFLSA-N 0 0 305.418 3.453 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1 ZINC001618413318 1193738129 /nfs/dbraw/zinc/73/81/29/1193738129.db2.gz GWXIXEKHTBJPTC-UHFFFAOYSA-N 0 0 316.748 3.432 20 10 DGCDRN O=C(NCCc1ccccc1)c1cc2cc(O)c(O)cc2s1 ZINC001618505355 1193741733 /nfs/dbraw/zinc/74/17/33/1193741733.db2.gz JHYVSSQZHXRJGR-UHFFFAOYSA-N 0 0 313.378 3.285 20 10 DGCDRN C[C@@H](N1CCN(Cc2ccc(Cl)cc2O)CC1)C(F)(F)F ZINC001621132545 1193807108 /nfs/dbraw/zinc/80/71/08/1193807108.db2.gz YRANUOXIBVVRQQ-SNVBAGLBSA-N 0 0 322.758 3.114 20 10 DGCDRN C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cccc(O)c1O ZINC001621177341 1193813181 /nfs/dbraw/zinc/81/31/81/1193813181.db2.gz YFPBDGRJTPQCMU-HWPZZCPQSA-N 0 0 315.344 3.290 20 10 DGCDRN CC(C)c1ccc(O)c(CNc2ccc(CNC(N)=O)cc2)c1 ZINC001621202347 1193816602 /nfs/dbraw/zinc/81/66/02/1193816602.db2.gz FZUOFQWIJZTZCD-UHFFFAOYSA-N 0 0 313.401 3.296 20 10 DGCDRN COC1CCC(CN2CCOc3cc(N(C)C)ccc32)CC1 ZINC001621230575 1193820128 /nfs/dbraw/zinc/82/01/28/1193820128.db2.gz IPMJSRJDDCUNCX-UHFFFAOYSA-N 0 0 304.434 3.157 20 10 DGCDRN COCCC[N@H+](Cc1ccncc1)Cc1cc(F)c(F)cc1[O-] ZINC001621312509 1193829499 /nfs/dbraw/zinc/82/94/99/1193829499.db2.gz TZAHGBVYJAMMQA-UHFFFAOYSA-N 0 0 322.355 3.104 20 10 DGCDRN Cc1noc(-c2ccc(NCc3cc(F)cc(F)c3O)cn2)n1 ZINC001621344516 1193831330 /nfs/dbraw/zinc/83/13/30/1193831330.db2.gz RJGKWVJWDOKBBV-UHFFFAOYSA-N 0 0 318.283 3.036 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@@H](C)C(=O)OC(C)(C)C ZINC001621396547 1193837212 /nfs/dbraw/zinc/83/72/12/1193837212.db2.gz MSGZBXLVQLCBBC-CABCVRRESA-N 0 0 320.477 3.312 20 10 DGCDRN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001621496400 1193850142 /nfs/dbraw/zinc/85/01/42/1193850142.db2.gz GPCGAFBHTHZVQE-CZUORRHYSA-N 0 0 311.381 3.045 20 10 DGCDRN [O-]c1cccc(F)c1C[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC001621531834 1193855459 /nfs/dbraw/zinc/85/54/59/1193855459.db2.gz RONVZLNCTJJZRH-UHFFFAOYSA-N 0 0 303.362 3.068 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+]CCC2CSC2)c1 ZINC001621570582 1193860679 /nfs/dbraw/zinc/86/06/79/1193860679.db2.gz XMMTWQLAFLQXEE-UHFFFAOYSA-N 0 0 316.264 3.306 20 10 DGCDRN COc1cc(C(=O)N(C)Cc2ccccc2O)c2ccccc2n1 ZINC001622317379 1193894538 /nfs/dbraw/zinc/89/45/38/1193894538.db2.gz IKCXRBYLYQUCTI-UHFFFAOYSA-N 0 0 322.364 3.221 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)/C(C)=C\c2ccncc2)c1 ZINC001622780007 1193912089 /nfs/dbraw/zinc/91/20/89/1193912089.db2.gz ZWIJMANADWQYIQ-UKVQZPPCSA-N 0 0 312.369 3.077 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2c(F)ccnc2Cl)c1 ZINC001622779354 1193912165 /nfs/dbraw/zinc/91/21/65/1193912165.db2.gz OIIBDGJARMGLKY-MRVPVSSYSA-N 0 0 324.739 3.079 20 10 DGCDRN COc1cccc(CNC(=O)c2nc3ccccc3cc2C)c1O ZINC001622778968 1193912213 /nfs/dbraw/zinc/91/22/13/1193912213.db2.gz CVLFNOYYKWXOJL-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN C[C@H](NC(=O)Nc1cccc([S@@](C)=O)c1)c1ccccc1O ZINC001623052659 1193918403 /nfs/dbraw/zinc/91/84/03/1193918403.db2.gz IVOUZEGHHTVIOP-KPWVOAKYSA-N 0 0 318.398 3.012 20 10 DGCDRN O=C(Nc1cc(F)c(F)cc1F)N1Cc2cccc(O)c2C1 ZINC001623072281 1193919041 /nfs/dbraw/zinc/91/90/41/1193919041.db2.gz GSQTYTGBHRIHMA-UHFFFAOYSA-N 0 0 308.259 3.357 20 10 DGCDRN COc1c(F)cc(F)cc1NC(=O)NCc1cc(C)ccc1O ZINC001623202059 1193922396 /nfs/dbraw/zinc/92/23/96/1193922396.db2.gz VZIGJXTYTBEPPF-UHFFFAOYSA-N 0 0 322.311 3.309 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2cc3c(o2)CCCC3)cc1 ZINC001623387216 1193930964 /nfs/dbraw/zinc/93/09/64/1193930964.db2.gz UCLLCKBBKQHKFF-UHFFFAOYSA-N 0 0 312.413 3.497 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2cc(F)cc(F)c2)cc1 ZINC001623602104 1193940892 /nfs/dbraw/zinc/94/08/92/1193940892.db2.gz HNEJQRXFYWBMRN-UHFFFAOYSA-N 0 0 304.256 3.380 20 10 DGCDRN C[C@@]1(NC(=O)Cc2ccc(O)c(O)c2)CCCc2ccccc21 ZINC001623761597 1193963548 /nfs/dbraw/zinc/96/35/48/1193963548.db2.gz CINYZIHCVABHGL-LJQANCHMSA-N 0 0 311.381 3.008 20 10 DGCDRN Cc1cc(CNC(=O)[C@@H]2C[C@H](C)CO2)c(C)n1-c1ccccc1 ZINC001624075624 1193979352 /nfs/dbraw/zinc/97/93/52/1193979352.db2.gz WHFAUPIOWMVYNK-UGSOOPFHSA-N 0 0 312.413 3.135 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(F)c(O)c1 ZINC001624322543 1193992536 /nfs/dbraw/zinc/99/25/36/1193992536.db2.gz YDMANOQUVYHVQN-UHFFFAOYSA-N 0 0 314.360 3.062 20 10 DGCDRN CC(C)OCc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001625559991 1194058067 /nfs/dbraw/zinc/05/80/67/1194058067.db2.gz ODNOXCYCWXWITE-UHFFFAOYSA-N 0 0 315.369 3.204 20 10 DGCDRN Cc1ccc(CCNC(=O)c2ccc(N=NC(N)=O)cc2)c(C)c1 ZINC001626896026 1194100702 /nfs/dbraw/zinc/10/07/02/1194100702.db2.gz VWLYDYKEWHYXKH-UHFFFAOYSA-N 0 0 324.384 3.438 20 10 DGCDRN CCCC[C@@H](O)CCC(=O)NCc1ccc2c(c1)CCCN2C ZINC001626940867 1194103206 /nfs/dbraw/zinc/10/32/06/1194103206.db2.gz OOZHANBBEMYYBR-QGZVFWFLSA-N 0 0 318.461 3.017 20 10 DGCDRN C[C@@H]1CCC[C@@H](C2CN(C(=O)/C=C\c3ccc(O)c(O)c3)C2)C1 ZINC001649210822 1194106993 /nfs/dbraw/zinc/10/69/93/1194106993.db2.gz ABKMZKPBFTZULJ-VEXXYJEVSA-N 0 0 315.413 3.396 20 10 DGCDRN CSc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cn1 ZINC001627884387 1194148623 /nfs/dbraw/zinc/14/86/23/1194148623.db2.gz GOSBIFUBYDYWBJ-UHFFFAOYSA-N 0 0 315.358 3.218 20 10 DGCDRN CCN(C(=O)c1ccc(N=NC(N)=O)cc1)c1nc(C)cs1 ZINC001627917779 1194150003 /nfs/dbraw/zinc/15/00/03/1194150003.db2.gz CYJWPFNDYQSCNP-UHFFFAOYSA-N 0 0 317.374 3.281 20 10 DGCDRN Cc1cc(CC(=O)Nc2nccnc2C)c(C)n1-c1ccccc1 ZINC001628039816 1194156754 /nfs/dbraw/zinc/15/67/54/1194156754.db2.gz XGZKWTJSUNEREE-UHFFFAOYSA-N 0 0 320.396 3.374 20 10 DGCDRN O=C(Nc1ccc2occc(=O)c2c1)N1Cc2cccc(O)c2C1 ZINC001628255496 1194168717 /nfs/dbraw/zinc/16/87/17/1194168717.db2.gz ZATUXVLLZWCBLE-UHFFFAOYSA-N 0 0 322.320 3.046 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1ccc(Cl)nc1F ZINC001628680331 1194191350 /nfs/dbraw/zinc/19/13/50/1194191350.db2.gz GOAKNLQVWQTUQL-UHFFFAOYSA-N 0 0 315.131 3.163 20 10 DGCDRN CCOc1ccc(OC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001628789043 1194196833 /nfs/dbraw/zinc/19/68/33/1194196833.db2.gz JIHGEXLCJQWTRN-UHFFFAOYSA-N 0 0 313.313 3.467 20 10 DGCDRN Cc1cc(F)cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1N ZINC001628793295 1194197155 /nfs/dbraw/zinc/19/71/55/1194197155.db2.gz GKTDUFMNOIUEHW-UHFFFAOYSA-N 0 0 315.392 3.055 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC[C@@H]2C[C@@H]2C2CCCC2)cc1 ZINC001629377230 1194230616 /nfs/dbraw/zinc/23/06/16/1194230616.db2.gz UBUFAHYWIGQSEV-FUHWJXTLSA-N 0 0 315.461 3.378 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ncccc2C(F)(F)F)c1 ZINC001629737247 1194250162 /nfs/dbraw/zinc/25/01/62/1194250162.db2.gz WLZVQSRSDXLDTN-UHFFFAOYSA-N 0 0 310.275 3.044 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ccc(-c2cn[nH]c2)cc1 ZINC001629955109 1194261846 /nfs/dbraw/zinc/26/18/46/1194261846.db2.gz SJVAXRBBQJIFRK-UHFFFAOYSA-N 0 0 307.353 3.055 20 10 DGCDRN Nc1c(Cl)c(Cl)ccc1C(=O)NCc1ccccc1O ZINC001630363080 1194282821 /nfs/dbraw/zinc/28/28/21/1194282821.db2.gz IKABHNNMPVVAGL-UHFFFAOYSA-N 0 0 311.168 3.211 20 10 DGCDRN O=C(CCc1ccccc1)NCc1ccc2cccnc2c1O ZINC001630528491 1194290394 /nfs/dbraw/zinc/29/03/94/1194290394.db2.gz SJMZDQWGHDFRFV-UHFFFAOYSA-N 0 0 306.365 3.189 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)c(O)c1C ZINC001631322962 1194329707 /nfs/dbraw/zinc/32/97/07/1194329707.db2.gz UYJUHWMTDNWEMK-UHFFFAOYSA-N 0 0 324.424 3.321 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1csc(C(F)(F)F)c1 ZINC001631434741 1194335193 /nfs/dbraw/zinc/33/51/93/1194335193.db2.gz VOHPMKJCZUOEDL-UHFFFAOYSA-N 0 0 317.288 3.108 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@H]1CC1(C)C ZINC001631482071 1194337031 /nfs/dbraw/zinc/33/70/31/1194337031.db2.gz RAVQNOAJNJPADA-GOEBONIOSA-N 0 0 317.477 3.337 20 10 DGCDRN CC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1F ZINC001631633321 1194347090 /nfs/dbraw/zinc/34/70/90/1194347090.db2.gz VLYGYQKETWLKII-CQSZACIVSA-N 0 0 303.333 3.047 20 10 DGCDRN C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)c1cccc(O)c1O ZINC001631953747 1194364053 /nfs/dbraw/zinc/36/40/53/1194364053.db2.gz HVAVAACVYXSOIL-WDEREUQCSA-N 0 0 315.344 3.385 20 10 DGCDRN CCC[C@@H](CCO)NC(=O)c1sccc1-n1c(C)ccc1C ZINC001632111110 1194371972 /nfs/dbraw/zinc/37/19/72/1194371972.db2.gz QWWPTKQKVWMEOF-AWEZNQCLSA-N 0 0 320.458 3.437 20 10 DGCDRN O=C(Nc1ccc([C@@H](O)C(F)(F)F)cc1)C1=CC(=O)CS1 ZINC001632193785 1194375767 /nfs/dbraw/zinc/37/57/67/1194375767.db2.gz BRFHBPGGUKZWSO-LLVKDONJSA-N 0 0 317.288 3.302 20 10 DGCDRN CN(C)c1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1F ZINC001632223277 1194377719 /nfs/dbraw/zinc/37/77/19/1194377719.db2.gz GXLQKTSLFHDMHH-UHFFFAOYSA-N 0 0 322.767 3.181 20 10 DGCDRN C[C@H](NC(=O)c1ccc2c(c1)OC(F)(F)O2)c1ccccc1O ZINC001632250343 1194379158 /nfs/dbraw/zinc/37/91/58/1194379158.db2.gz RIVSCBYUESYUOD-VIFPVBQESA-N 0 0 321.279 3.205 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H](O)C23CCC3)cc1 ZINC001632933146 1194412907 /nfs/dbraw/zinc/41/29/07/1194412907.db2.gz PEFSZLJHLHCCAE-QZTJIDSGSA-N 0 0 324.424 3.127 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2c(F)c(F)cc(F)c2F)c1 ZINC001633282371 1194429681 /nfs/dbraw/zinc/42/96/81/1194429681.db2.gz HXHGVFJFXKNTOP-UHFFFAOYSA-N 0 0 313.250 3.187 20 10 DGCDRN CSc1ccc(CCC(=O)NCc2cc(O)ccc2O)cc1 ZINC001633599261 1194444954 /nfs/dbraw/zinc/44/49/54/1194444954.db2.gz VLXYHZVPFBFJCR-UHFFFAOYSA-N 0 0 317.410 3.069 20 10 DGCDRN C[C@@H](NC(=O)Cc1nsc2ccccc21)c1ccccc1O ZINC001635793625 1194572513 /nfs/dbraw/zinc/57/25/13/1194572513.db2.gz ADPLZNVNBTUYFF-LLVKDONJSA-N 0 0 312.394 3.422 20 10 DGCDRN C[C@@H](NC(=O)Cc1ccc2cccnc2c1)c1ccccc1O ZINC001635799167 1194572630 /nfs/dbraw/zinc/57/26/30/1194572630.db2.gz RVINRIGOPTYYOF-CYBMUJFWSA-N 0 0 306.365 3.360 20 10 DGCDRN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccccc1O ZINC001635799006 1194572684 /nfs/dbraw/zinc/57/26/84/1194572684.db2.gz LZSBRNNEDBJVJX-SNVBAGLBSA-N 0 0 318.304 3.239 20 10 DGCDRN C[C@H](NC(=O)COc1ccc(Cl)c(F)c1)c1ccccc1O ZINC001635803650 1194573283 /nfs/dbraw/zinc/57/32/83/1194573283.db2.gz IRCNNRIEOWYDQH-JTQLQIEISA-N 0 0 323.751 3.441 20 10 DGCDRN O=C(CCc1ccc(Cl)c(F)c1)NCc1c(O)cccc1O ZINC001635850295 1194575605 /nfs/dbraw/zinc/57/56/05/1194575605.db2.gz KHUHKARUUGWEKM-UHFFFAOYSA-N 0 0 323.751 3.139 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1cc(C(F)F)ccc1F ZINC001635850450 1194576002 /nfs/dbraw/zinc/57/60/02/1194576002.db2.gz MVMVNGHSUWXMHG-UHFFFAOYSA-N 0 0 311.259 3.105 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cn2c(n1)CCCC2 ZINC001635969018 1194583298 /nfs/dbraw/zinc/58/32/98/1194583298.db2.gz LZOYKWOADPCGNY-UHFFFAOYSA-N 0 0 321.380 3.008 20 10 DGCDRN O=C(c1n[nH]c2ccc(Cl)cc21)N1Cc2cccc(O)c2C1 ZINC001636231087 1194601110 /nfs/dbraw/zinc/60/11/10/1194601110.db2.gz PVXYGOVAAPSOEC-UHFFFAOYSA-N 0 0 313.744 3.078 20 10 DGCDRN COc1ccc2cc(C(=O)N3Cc4cccc(O)c4C3)cnc2c1 ZINC001636230939 1194601496 /nfs/dbraw/zinc/60/14/96/1194601496.db2.gz KUJMZJKTFRCZGF-UHFFFAOYSA-N 0 0 320.348 3.105 20 10 DGCDRN Cc1ccc(C)c(SCC(=O)NCc2cc(O)ccc2O)c1 ZINC001637122440 1194650854 /nfs/dbraw/zinc/65/08/54/1194650854.db2.gz GYEZZFQKORQPCZ-UHFFFAOYSA-N 0 0 317.410 3.123 20 10 DGCDRN COc1ccc(C(=O)NCc2cc(O)ccc2O)c2ccccc12 ZINC001637122922 1194651703 /nfs/dbraw/zinc/65/17/03/1194651703.db2.gz SDSKKKOZDYSZBV-UHFFFAOYSA-N 0 0 323.348 3.190 20 10 DGCDRN CCOc1ccc(CC(=O)NCc2cccc(Cl)c2O)cc1 ZINC001637227043 1194657969 /nfs/dbraw/zinc/65/79/69/1194657969.db2.gz KPKYHMLCLATBRJ-UHFFFAOYSA-N 0 0 319.788 3.303 20 10 DGCDRN CC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(C)c(F)c1 ZINC001637379027 1194667277 /nfs/dbraw/zinc/66/72/77/1194667277.db2.gz WXRNHSMWDMIPMD-OAHLLOKOSA-N 0 0 317.360 3.355 20 10 DGCDRN C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1 ZINC001638191064 1194706291 /nfs/dbraw/zinc/70/62/91/1194706291.db2.gz BKIQNINETHCDTD-LBPRGKRZSA-N 0 0 310.357 3.383 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)[C@@H]1CCC=CO1 ZINC001638269435 1194710090 /nfs/dbraw/zinc/71/00/90/1194710090.db2.gz XUFYIAOTDCRZEQ-AWEZNQCLSA-N 0 0 320.352 3.028 20 10 DGCDRN O=C(/C=C\c1ccc(Cl)s1)NCc1ccc(O)cc1O ZINC001638357797 1194713717 /nfs/dbraw/zinc/71/37/17/1194713717.db2.gz VGPXBUIYNIEDCB-XQRVVYSFSA-N 0 0 309.774 3.142 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)NC[C@@]12C[C@@H]1CCCC2 ZINC001638438108 1194718771 /nfs/dbraw/zinc/71/87/71/1194718771.db2.gz UBASNWSTUALNMP-BLLLJJGKSA-N 0 0 308.809 3.425 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NCc2cscc2Cl)cc1 ZINC001638457194 1194719791 /nfs/dbraw/zinc/71/97/91/1194719791.db2.gz RSTOPVAYVHAQHQ-UHFFFAOYSA-N 0 0 322.777 3.494 20 10 DGCDRN Cc1ccc(F)c2[nH]c(C(=O)NCc3c(O)cccc3F)cc21 ZINC001638864125 1194741232 /nfs/dbraw/zinc/74/12/32/1194741232.db2.gz WKPLEOHWPWBWFF-UHFFFAOYSA-N 0 0 316.307 3.390 20 10 DGCDRN COc1ccccc1/C(C)=C\C(=O)NCc1c(O)cccc1F ZINC001638864358 1194741326 /nfs/dbraw/zinc/74/13/26/1194741326.db2.gz XTXWHBQFDRICBQ-BENRWUELSA-N 0 0 315.344 3.260 20 10 DGCDRN C[C@H](NC(=O)c1c[nH]nc1-c1ccco1)c1ccc(N(C)C)cc1 ZINC001638955972 1194744841 /nfs/dbraw/zinc/74/48/41/1194744841.db2.gz DHPKOWWTDVFSBE-LBPRGKRZSA-N 0 0 324.384 3.227 20 10 DGCDRN CCSc1ccc(CC(=O)NCc2c(O)cccc2O)cc1 ZINC001639292617 1194759180 /nfs/dbraw/zinc/75/91/80/1194759180.db2.gz KJVAAMGQLNYKTP-UHFFFAOYSA-N 0 0 317.410 3.069 20 10 DGCDRN CCCn1ncc(C(=O)NCc2c(O)ccc3ccccc32)c1C ZINC001639387536 1194762688 /nfs/dbraw/zinc/76/26/88/1194762688.db2.gz NGPKLUIONOZFAB-UHFFFAOYSA-N 0 0 323.396 3.390 20 10 DGCDRN O=Cc1ccc(CC(=O)NCc2c(O)ccc3ccccc32)cc1 ZINC001639387138 1194762877 /nfs/dbraw/zinc/76/28/77/1194762877.db2.gz FMPHSJSEMVHBPH-UHFFFAOYSA-N 0 0 319.360 3.217 20 10 DGCDRN C/C(=C/c1cccnc1)C(=O)NCc1cc(Cl)ccc1O ZINC001639965647 1194789274 /nfs/dbraw/zinc/78/92/74/1194789274.db2.gz NRVWSJGCTPNNSZ-XFFZJAGNSA-N 0 0 302.761 3.160 20 10 DGCDRN COc1ccc(CC(=O)NCc2cc(Cl)ccc2O)c(C)c1 ZINC001639968200 1194789513 /nfs/dbraw/zinc/78/95/13/1194789513.db2.gz BNADUFANOZHTNW-UHFFFAOYSA-N 0 0 319.788 3.222 20 10 DGCDRN COc1cc(C)nc(N[C@@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC001640043530 1194793546 /nfs/dbraw/zinc/79/35/46/1194793546.db2.gz VPQVVWIPWDNYJO-ZDUSSCGKSA-N 0 0 314.433 3.211 20 10 DGCDRN COC(=O)c1ccc([N+](=O)[O-])c(NCc2cc(C)ccc2O)c1 ZINC001640178780 1194800344 /nfs/dbraw/zinc/80/03/44/1194800344.db2.gz XBLOAIXDCTYZOH-UHFFFAOYSA-N 0 0 316.313 3.008 20 10 DGCDRN Cc1ccc(C(=O)Nc2cc(-c3ccccc3)[nH]n2)c(O)c1O ZINC001640244002 1194803652 /nfs/dbraw/zinc/80/36/52/1194803652.db2.gz DLYJCRNHEYETAF-UHFFFAOYSA-N 0 0 309.325 3.049 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CCc2ccc3[nH]ccc3c2)c1 ZINC001640797005 1194828129 /nfs/dbraw/zinc/82/81/29/1194828129.db2.gz VUBCIFLSVWDGQO-UHFFFAOYSA-N 0 0 308.381 3.431 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cncnc2-c2ccccc2)c1 ZINC001640796515 1194828321 /nfs/dbraw/zinc/82/83/21/1194828321.db2.gz ICSAAPFGUZPRHL-UHFFFAOYSA-N 0 0 319.364 3.088 20 10 DGCDRN CCOc1ccc(N(CC)C[C@@H]2CC(C(=O)OC)=C(C)O2)cc1 ZINC001642199749 1194893440 /nfs/dbraw/zinc/89/34/40/1194893440.db2.gz NAOOOUKPXYQVEA-INIZCTEOSA-N 0 0 319.401 3.148 20 10 DGCDRN CCON(Cc1ccccc1)C(=O)c1ccc(C)c(O)c1O ZINC001642249596 1194895574 /nfs/dbraw/zinc/89/55/74/1194895574.db2.gz FEVQCMATJAQBMG-UHFFFAOYSA-N 0 0 301.342 3.000 20 10 DGCDRN COc1ccc2cc(C(=O)N[C@H](C)c3ccccc3O)[nH]c2c1 ZINC001642824459 1194943404 /nfs/dbraw/zinc/94/34/04/1194943404.db2.gz VXNOKAJUIAZCLW-LLVKDONJSA-N 0 0 310.353 3.373 20 10 DGCDRN C[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1O ZINC001642827196 1194943669 /nfs/dbraw/zinc/94/36/69/1194943669.db2.gz BIYMMHPOVVPOKC-NWDGAFQWSA-N 0 0 314.341 3.281 20 10 DGCDRN C[C@@H](NC(=O)[C@H](C)n1cnc2ccccc21)c1ccccc1O ZINC001642827216 1194943875 /nfs/dbraw/zinc/94/38/75/1194943875.db2.gz CFHZBRUZTLJKRO-OLZOCXBDSA-N 0 0 309.369 3.180 20 10 DGCDRN COc1ccccc1/C(C)=C/C(=O)N1Cc2cccc(O)c2C1 ZINC001643168967 1195000259 /nfs/dbraw/zinc/00/02/59/1195000259.db2.gz LJWRCKQAEUNOLC-JLHYYAGUSA-N 0 0 309.365 3.347 20 10 DGCDRN O=C(/C=C\c1ccc2[nH]ccc2c1)N1Cc2cccc(O)c2C1 ZINC001643174060 1195000750 /nfs/dbraw/zinc/00/07/50/1195000750.db2.gz WKECCHYNXCDTBE-ALCCZGGFSA-N 0 0 304.349 3.429 20 10 DGCDRN CC[C@H](C)c1ncc(NC(=O)NCc2cc(C)ccc2O)cn1 ZINC001671210035 1195043618 /nfs/dbraw/zinc/04/36/18/1195043618.db2.gz QHYXSBKSYBESNW-LBPRGKRZSA-N 0 0 314.389 3.326 20 10 DGCDRN C[C@@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccccc1O ZINC001643738459 1195050489 /nfs/dbraw/zinc/05/04/89/1195050489.db2.gz BRUBINIIDKMLMU-SECBINFHSA-N 0 0 320.732 3.445 20 10 DGCDRN C[C@H](NC(=O)[C@@H](O)C1CCCCCCC1)c1ccccc1O ZINC001643745656 1195051186 /nfs/dbraw/zinc/05/11/86/1195051186.db2.gz VGAZMQFAMXWOIP-GUYCJALGSA-N 0 0 305.418 3.291 20 10 DGCDRN O=C(CCc1cc(Cl)cs1)NCc1cccc(O)c1O ZINC001643812966 1195056987 /nfs/dbraw/zinc/05/69/87/1195056987.db2.gz UHPPHVPQBLOQDJ-UHFFFAOYSA-N 0 0 311.790 3.062 20 10 DGCDRN CCSc1ccc(CC(=O)NCc2cc(O)ccc2O)cc1 ZINC001643881685 1195060067 /nfs/dbraw/zinc/06/00/67/1195060067.db2.gz BIJITMNMCWBQND-UHFFFAOYSA-N 0 0 317.410 3.069 20 10 DGCDRN O=C(C[C@H](O)c1ccc(Cl)cc1)N1Cc2cccc(O)c2C1 ZINC001644088413 1195080081 /nfs/dbraw/zinc/08/00/81/1195080081.db2.gz UAQHHUIGROUESW-INIZCTEOSA-N 0 0 317.772 3.012 20 10 DGCDRN O=C(N1Cc2cccc(O)c2C1)C(F)(F)Cc1ccccc1 ZINC001644088473 1195080372 /nfs/dbraw/zinc/08/03/72/1195080372.db2.gz WLDWPYIKKMCTAU-UHFFFAOYSA-N 0 0 303.308 3.112 20 10 DGCDRN C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1O ZINC001644183437 1195087528 /nfs/dbraw/zinc/08/75/28/1195087528.db2.gz MMDYCYWPVPOIHP-JTQLQIEISA-N 0 0 312.329 3.028 20 10 DGCDRN COc1cccc(F)c1C(=O)NCc1cc(Cl)ccc1O ZINC001644590995 1195118827 /nfs/dbraw/zinc/11/88/27/1195118827.db2.gz YOCDONKVFBRTFQ-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN Cc1ccc(OCC(=O)NCc2cc(Cl)ccc2O)cc1C ZINC001644588088 1195119093 /nfs/dbraw/zinc/11/90/93/1195119093.db2.gz WOGHVBZGZHCALX-UHFFFAOYSA-N 0 0 319.788 3.358 20 10 DGCDRN O=C(CCCc1cc(F)ccc1F)NCc1cccc(O)c1O ZINC001644711180 1195128583 /nfs/dbraw/zinc/12/85/83/1195128583.db2.gz VUOFBJDVSRVCDE-UHFFFAOYSA-N 0 0 321.323 3.015 20 10 DGCDRN C/C(=C\c1ccc(Cl)cc1)C(=O)NCc1cccc(O)c1O ZINC001644710827 1195129255 /nfs/dbraw/zinc/12/92/55/1195129255.db2.gz KOJPRBQQBDOQDI-PKNBQFBNSA-N 0 0 317.772 3.471 20 10 DGCDRN Cc1ccc(C(=O)NCc2cccc(O)c2O)c(Cl)c1C ZINC001644710628 1195129400 /nfs/dbraw/zinc/12/94/00/1195129400.db2.gz GQNNFKVSVJJETK-UHFFFAOYSA-N 0 0 305.761 3.298 20 10 DGCDRN COc1ccc(N(C)C[Si](C)(C)c2ccccc2)cc1F ZINC001644865794 1195139060 /nfs/dbraw/zinc/13/90/60/1195139060.db2.gz IMRUNGOFKPOMOC-UHFFFAOYSA-N 0 0 303.453 3.425 20 10 DGCDRN CC(C)Cc1ncc(C(=O)NCc2c(O)cccc2F)s1 ZINC001645051182 1195153641 /nfs/dbraw/zinc/15/36/41/1195153641.db2.gz ZGQFNLNWYUAJAR-UHFFFAOYSA-N 0 0 308.378 3.116 20 10 DGCDRN Cc1noc(C)c1CCC(=O)NCc1c(O)ccc2ccccc21 ZINC001645438284 1195183493 /nfs/dbraw/zinc/18/34/93/1195183493.db2.gz KKKYLXAKIKVTFC-UHFFFAOYSA-N 0 0 324.380 3.399 20 10 DGCDRN COc1ccc(Cl)cc1CC(=O)NCc1cc(C)ccc1O ZINC001645800348 1195201501 /nfs/dbraw/zinc/20/15/01/1195201501.db2.gz CNPWYYWUUDGCHD-UHFFFAOYSA-N 0 0 319.788 3.222 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccc(Cl)c(F)c2N)c1 ZINC001645805117 1195201693 /nfs/dbraw/zinc/20/16/93/1195201693.db2.gz SLOCTIYHDSXXMN-UHFFFAOYSA-N 0 0 308.740 3.005 20 10 DGCDRN CCC[C@H](O)CCNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001645910767 1195206842 /nfs/dbraw/zinc/20/68/42/1195206842.db2.gz TUWBFEGPUPXDOY-SFHVURJKSA-N 0 0 314.429 3.375 20 10 DGCDRN Cc1c(Cl)cccc1OCC(=O)NCc1c(O)cccc1F ZINC001646034551 1195211581 /nfs/dbraw/zinc/21/15/81/1195211581.db2.gz MABFADYUSIKLAV-UHFFFAOYSA-N 0 0 323.751 3.188 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001648059112 1195274230 /nfs/dbraw/zinc/27/42/30/1195274230.db2.gz YRFBDHXZGUWAEP-AWKNZFSTSA-N 0 0 313.397 3.148 20 10 DGCDRN Cc1noc([C@H](NCc2ccc(N(C)C)c(C)c2)C(C)C)n1 ZINC001648680836 1195322073 /nfs/dbraw/zinc/32/20/73/1195322073.db2.gz PPONJHZEHWRTIR-MRXNPFEDSA-N 0 0 302.422 3.239 20 10 DGCDRN C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC001650733880 1195377125 /nfs/dbraw/zinc/37/71/25/1195377125.db2.gz SJYNCUIBURMQBH-YMTOWFKASA-N 0 0 315.244 3.271 20 10 DGCDRN O=C(N[C@@H]1CCc2ccc(Cl)cc21)c1c(F)ccc(O)c1O ZINC001651177172 1195423409 /nfs/dbraw/zinc/42/34/09/1195423409.db2.gz MRXCKQVGWGDIHK-GFCCVEGCSA-N 0 0 321.735 3.308 20 10 DGCDRN CCCn1c(C(=O)NCc2cccc(O)c2O)cc2ccccc21 ZINC001651175927 1195423435 /nfs/dbraw/zinc/42/34/35/1195423435.db2.gz SVZCOKFNLMSNTF-UHFFFAOYSA-N 0 0 324.380 3.393 20 10 DGCDRN C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])c1ccccc1O ZINC001651334266 1195445743 /nfs/dbraw/zinc/44/57/43/1195445743.db2.gz UEUSEHZTRXHFFG-QMMMGPOBSA-N 0 0 304.331 3.183 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C1CC(Nc2ccccc2)C1 ZINC001651517552 1195475220 /nfs/dbraw/zinc/47/52/20/1195475220.db2.gz GGGHIZTXVCBWLF-UHFFFAOYSA-N 0 0 304.340 3.403 20 10 DGCDRN CCn1ccc(CN(Cc2ccco2)Cc2ccccc2O)n1 ZINC001651720053 1195501655 /nfs/dbraw/zinc/50/16/55/1195501655.db2.gz RITUOHTZMCXMGZ-UHFFFAOYSA-N 0 0 311.385 3.404 20 10 DGCDRN C[N@@H+]1CCN(Cc2cc(F)cc(F)c2[O-])C2(CCCCC2)C1 ZINC001651788221 1195509471 /nfs/dbraw/zinc/50/94/71/1195509471.db2.gz CNWFPYKYIHHNBD-UHFFFAOYSA-N 0 0 310.388 3.121 20 10 DGCDRN CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1[O-] ZINC001651844513 1195515814 /nfs/dbraw/zinc/51/58/14/1195515814.db2.gz AAVBKALCXGBTCK-HNNXBMFYSA-N 0 0 321.367 3.444 20 10 DGCDRN COC(=O)c1sc(NCc2cc(C)ccc2O)nc1Cl ZINC001652059557 1195542630 /nfs/dbraw/zinc/54/26/30/1195542630.db2.gz IIQOAVAJELNNHJ-UHFFFAOYSA-N 0 0 312.778 3.209 20 10 DGCDRN CS(=O)(=O)c1ccc(CSc2ncc(Cl)s2)cc1 ZINC001652126493 1195551578 /nfs/dbraw/zinc/55/15/78/1195551578.db2.gz GHKHUKXTQQLHSQ-UHFFFAOYSA-N 0 0 319.860 3.492 20 10 DGCDRN COC(=O)COc1ccc(N(C)Cc2ccc(C)cc2F)cc1 ZINC001652180765 1195559177 /nfs/dbraw/zinc/55/91/77/1195559177.db2.gz AZCNXDIPZWSDCJ-UHFFFAOYSA-N 0 0 317.360 3.322 20 10 DGCDRN CSCCC[N@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC001652281910 1195575247 /nfs/dbraw/zinc/57/52/47/1195575247.db2.gz HBWDUBOPTBIQEA-UHFFFAOYSA-N 0 0 322.243 3.479 20 10 DGCDRN Cn1ccnc1[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001652334569 1195584501 /nfs/dbraw/zinc/58/45/01/1195584501.db2.gz POUVCBKWXGJWKF-ZDUSSCGKSA-N 0 0 305.809 3.159 20 10 DGCDRN COc1ccc(O)c(CNc2cc(Br)cnc2C)c1 ZINC001652509465 1195607960 /nfs/dbraw/zinc/60/79/60/1195607960.db2.gz NIBUZTRLVQDLIX-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN O=C(CCCc1c(F)cccc1F)NCc1c(O)cccc1O ZINC001652625515 1195627194 /nfs/dbraw/zinc/62/71/94/1195627194.db2.gz GQLDUYWVLKQNEI-UHFFFAOYSA-N 0 0 321.323 3.015 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1cc2cc(F)ccc2s1 ZINC001652622908 1195627610 /nfs/dbraw/zinc/62/76/10/1195627610.db2.gz JCUVGVBKUZIZHX-UHFFFAOYSA-N 0 0 317.341 3.382 20 10 DGCDRN COCC(C)(C)CC(=O)NCc1c(O)ccc2ccccc21 ZINC001652709218 1195639858 /nfs/dbraw/zinc/63/98/58/1195639858.db2.gz WHOYTBNMQDUKIX-UHFFFAOYSA-N 0 0 301.386 3.224 20 10 DGCDRN O=c1c2ccccc2ncn1CCSc1ncc(Cl)s1 ZINC001652985261 1195677528 /nfs/dbraw/zinc/67/75/28/1195677528.db2.gz YHHRLBQWWCOGQR-UHFFFAOYSA-N 0 0 323.830 3.299 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2CCSc1ccncc1 ZINC001653144723 1195692374 /nfs/dbraw/zinc/69/23/74/1195692374.db2.gz KUCGDWBUJIIVKW-UHFFFAOYSA-N 0 0 315.442 3.139 20 10 DGCDRN Cc1ncc(NC(=O)C2=CC(=O)CS2)cc1Br ZINC001653935441 1195760751 /nfs/dbraw/zinc/76/07/51/1195760751.db2.gz ZTZDDJSNVSHFQI-UHFFFAOYSA-N 0 0 313.176 3.172 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C[C@@H]1CCC2(CCC2)CO1 ZINC001654011192 1195767061 /nfs/dbraw/zinc/76/70/61/1195767061.db2.gz KGCLIUBCOAKIDU-INIZCTEOSA-N 0 0 316.445 3.301 20 10 DGCDRN CC1(C)C[C@@H](NC(=O)c2c(F)ccc(O)c2O)c2ccccc21 ZINC001654412478 1195801539 /nfs/dbraw/zinc/80/15/39/1195801539.db2.gz QAEKKAGGVSBQSK-CYBMUJFWSA-N 0 0 315.344 3.389 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC001655283043 1195899612 /nfs/dbraw/zinc/89/96/12/1195899612.db2.gz XCQWXLXMOYUGSH-UHFFFAOYSA-N 0 0 315.323 3.146 20 10 DGCDRN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C12CCCC2 ZINC001655737098 1195957953 /nfs/dbraw/zinc/95/79/53/1195957953.db2.gz ADJFTCYOPKCLNC-LSDHHAIUSA-N 0 0 311.372 3.498 20 10 DGCDRN CC(=O)NCc1ccc(NCc2cc(Cl)cc(F)c2O)cc1 ZINC001655803814 1195965152 /nfs/dbraw/zinc/96/51/52/1195965152.db2.gz OFSXZFKLGDJWDB-UHFFFAOYSA-N 0 0 322.767 3.433 20 10 DGCDRN O=C1NCc2ccc(NCc3ccc(N4CCCC4)cc3)cc21 ZINC001655812044 1195966178 /nfs/dbraw/zinc/96/61/78/1195966178.db2.gz LUUREVTZUQFRLG-UHFFFAOYSA-N 0 0 307.397 3.142 20 10 DGCDRN Fc1cc2c(c(F)c1)[C@@H](NCc1ccc3c(c1)CCO3)CO2 ZINC001656073778 1195994571 /nfs/dbraw/zinc/99/45/71/1195994571.db2.gz KYTPBKZBLVURIM-AWEZNQCLSA-N 0 0 303.308 3.123 20 10 DGCDRN CCc1nc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cs1 ZINC001656519848 1196046977 /nfs/dbraw/zinc/04/69/77/1196046977.db2.gz GDIFMEIGYSBZDP-SECBINFHSA-N 0 0 307.375 3.170 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[NH2+][C@@H]1C=CCCC1 ZINC001657465536 1196144576 /nfs/dbraw/zinc/14/45/76/1196144576.db2.gz HSLDVKOPJSNAQH-LLVKDONJSA-N 0 0 300.171 3.492 20 10 DGCDRN Oc1c(F)cc(F)cc1CNc1cccc(-c2nc[nH]n2)c1 ZINC001657498594 1196148494 /nfs/dbraw/zinc/14/84/94/1196148494.db2.gz MDVWCLMVPXXXJP-UHFFFAOYSA-N 0 0 302.284 3.068 20 10 DGCDRN Cc1nc2ccc(NCc3c(C)c4ccccc4n3C)cn2n1 ZINC001657577663 1196157378 /nfs/dbraw/zinc/15/73/78/1196157378.db2.gz HKPSOOICUKRDJD-UHFFFAOYSA-N 0 0 305.385 3.450 20 10 DGCDRN O=c1cc(CN2CCCc3cc(OC(F)F)ccc32)cc[nH]1 ZINC001657686204 1196169013 /nfs/dbraw/zinc/16/90/13/1196169013.db2.gz QOIYAWRNRLFHSZ-UHFFFAOYSA-N 0 0 306.312 3.341 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@@H](c1ccccc1)N(C)C ZINC001657843719 1196183949 /nfs/dbraw/zinc/18/39/49/1196183949.db2.gz KMODOHWILSFSAY-PXAZEXFGSA-N 0 0 320.383 3.451 20 10 DGCDRN COc1cccc(NC(=O)NCc2cccc(Cl)c2O)c1 ZINC001658127121 1196214442 /nfs/dbraw/zinc/21/44/42/1196214442.db2.gz PAWCPGZIQCMNAK-UHFFFAOYSA-N 0 0 306.749 3.376 20 10 DGCDRN CN(C)c1ccc(/C=C\CNc2cn(-c3ccccc3)nn2)cc1 ZINC001658188419 1196221960 /nfs/dbraw/zinc/22/19/60/1196221960.db2.gz BELYNDOCUALTOC-SREVYHEPSA-N 0 0 319.412 3.459 20 10 DGCDRN C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001658375267 1196247585 /nfs/dbraw/zinc/24/75/85/1196247585.db2.gz QMGBWOCCHFPSKJ-OCCSQVGLSA-N 0 0 323.408 3.331 20 10 DGCDRN CCn1nncc1CN1C[C@H](C(C)C)Cc2cc(OC)ccc21 ZINC001658391441 1196250196 /nfs/dbraw/zinc/25/01/96/1196250196.db2.gz OUBKDHDRKPDZDX-OAHLLOKOSA-N 0 0 314.433 3.142 20 10 DGCDRN CC[N@@H+]1C[C@@H](C)N(Cc2c([O-])ccc(Cl)c2F)C[C@H]1C ZINC001658441513 1196255805 /nfs/dbraw/zinc/25/58/05/1196255805.db2.gz IWPFDEVUOQARLA-GHMZBOCLSA-N 0 0 300.805 3.099 20 10 DGCDRN CC[N@@H+]1C[C@H](C)N(Cc2c([O-])ccc(Cl)c2F)C[C@@H]1C ZINC001658441520 1196256694 /nfs/dbraw/zinc/25/66/94/1196256694.db2.gz IWPFDEVUOQARLA-QWRGUYRKSA-N 0 0 300.805 3.099 20 10 DGCDRN CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(F)cc(F)c2[O-])C12CCC2 ZINC001658434744 1196256715 /nfs/dbraw/zinc/25/67/15/1196256715.db2.gz OBJFKXKPLGMNOB-HUUCEWRRSA-N 0 0 311.372 3.450 20 10 DGCDRN CO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(C(C)=O)c2[O-])C1(C)C ZINC001658693054 1196289313 /nfs/dbraw/zinc/28/93/13/1196289313.db2.gz JDDFDYLAPGHBIE-KBPBESRZSA-N 0 0 311.809 3.151 20 10 DGCDRN Cc1noc([C@@H](NCc2cc(F)c(N(C)C)cc2F)C(C)C)n1 ZINC001658794303 1196301757 /nfs/dbraw/zinc/30/17/57/1196301757.db2.gz YRXPOLYKZLCXKL-HNNXBMFYSA-N 0 0 324.375 3.209 20 10 DGCDRN C[C@H]1COc2ccccc2CN1Cc1cc(F)c(F)cc1O ZINC001658831239 1196307363 /nfs/dbraw/zinc/30/73/63/1196307363.db2.gz VORIGRGHVXZXKA-NSHDSACASA-N 0 0 305.324 3.454 20 10 DGCDRN CC(C)OC(=O)[C@@H]1CCCN1C/C=C/c1ccc(N(C)C)cc1 ZINC001658899747 1196316595 /nfs/dbraw/zinc/31/65/95/1196316595.db2.gz YIUFBCZSDYMFPW-FZMUQLTDSA-N 0 0 316.445 3.182 20 10 DGCDRN CC(C)c1ccc(O)c(CN(C)Cc2ncnn2CC(F)F)c1 ZINC001658996593 1196330000 /nfs/dbraw/zinc/33/00/00/1196330000.db2.gz MXMWBRROFWUDKP-UHFFFAOYSA-N 0 0 324.375 3.004 20 10 DGCDRN CC1(C)CCCN(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001659018560 1196332671 /nfs/dbraw/zinc/33/26/71/1196332671.db2.gz MAJLRVIHGCIEFK-UHFFFAOYSA-N 0 0 314.832 3.396 20 10 DGCDRN Cc1cccc(OCC[N@@H+](C)Cc2cc(F)cc(F)c2[O-])c1 ZINC001659061481 1196339614 /nfs/dbraw/zinc/33/96/14/1196339614.db2.gz LJSILANNEQWRTE-UHFFFAOYSA-N 0 0 307.340 3.490 20 10 DGCDRN CC(C)C1(O)CC[NH+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC001659089946 1196343359 /nfs/dbraw/zinc/34/33/59/1196343359.db2.gz YYKHZYSSQZCYNI-UHFFFAOYSA-N 0 0 301.789 3.168 20 10 DGCDRN CCc1cccc(CNc2ccc3ccn(C)c(=O)c3c2)c1O ZINC001659162130 1196354616 /nfs/dbraw/zinc/35/46/16/1196354616.db2.gz UROKTHQGDVGJFY-UHFFFAOYSA-N 0 0 308.381 3.419 20 10 DGCDRN OC[C@@H]1Cc2ccccc2N(Cc2ccc(Cl)cc2O)C1 ZINC001659317144 1196370195 /nfs/dbraw/zinc/37/01/95/1196370195.db2.gz XCRHJRQNUIDNFL-GFCCVEGCSA-N 0 0 303.789 3.217 20 10 DGCDRN O=C1CCN(Cc2cc(F)cc(F)c2O)c2ccc(F)cc2N1 ZINC001659360242 1196374621 /nfs/dbraw/zinc/37/46/21/1196374621.db2.gz ODBKWSCDHHIIQL-UHFFFAOYSA-N 0 0 322.286 3.158 20 10 DGCDRN CN(Cc1c(Cl)n[nH]c1C1CC1)c1ccc2c(c1)OCO2 ZINC001659400491 1196379257 /nfs/dbraw/zinc/37/92/57/1196379257.db2.gz LVBASACCDXEOBD-UHFFFAOYSA-N 0 0 305.765 3.306 20 10 DGCDRN COC(=O)[C@@H](C)c1cccc(NCc2cc(F)ccc2O)c1 ZINC001659445213 1196383918 /nfs/dbraw/zinc/38/39/18/1196383918.db2.gz WAQMBSQRKPYXSY-NSHDSACASA-N 0 0 303.333 3.420 20 10 DGCDRN COC(=O)c1ccc(CN(C)c2ccc(OC(C)C)cc2)n1C ZINC001659451131 1196384369 /nfs/dbraw/zinc/38/43/69/1196384369.db2.gz PIHQBOILYXCEME-UHFFFAOYSA-N 0 0 316.401 3.235 20 10 DGCDRN COCC1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCCC1 ZINC001659460983 1196385495 /nfs/dbraw/zinc/38/54/95/1196385495.db2.gz IBOUPKGDOGTFRG-UHFFFAOYSA-N 0 0 301.789 3.481 20 10 DGCDRN Cc1cccc2oc(CC[NH2+]Cc3cc(F)cc(F)c3[O-])nc21 ZINC001659580167 1196396988 /nfs/dbraw/zinc/39/69/88/1196396988.db2.gz DTHZFISARCGSDZ-UHFFFAOYSA-N 0 0 318.323 3.452 20 10 DGCDRN [O-]c1c(F)cccc1C[NH2+][C@@H]1CCc2ccccc2-n2ccnc21 ZINC001659697431 1196406196 /nfs/dbraw/zinc/40/61/96/1196406196.db2.gz NOGRCEVZNZSOOH-MRXNPFEDSA-N 0 0 323.371 3.494 20 10 DGCDRN COc1ccc(NC(=O)NCc2cc(C)ccc2O)c(Cl)n1 ZINC001659755085 1196411717 /nfs/dbraw/zinc/41/17/17/1196411717.db2.gz SAOGBBMGFNXARA-UHFFFAOYSA-N 0 0 321.764 3.079 20 10 DGCDRN COC(=O)[C@H](N[C@H](C)c1ccccc1O)c1ccc(F)cc1 ZINC001659815599 1196417149 /nfs/dbraw/zinc/41/71/49/1196417149.db2.gz NXZAQJVCMSIDEY-BDJLRTHQSA-N 0 0 303.333 3.096 20 10 DGCDRN [O-]c1cccc(F)c1C[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC001660046899 1196439906 /nfs/dbraw/zinc/43/99/06/1196439906.db2.gz AZJBYWFQORFDAJ-INIZCTEOSA-N 0 0 314.404 3.286 20 10 DGCDRN CC[N@H+](CCSC)Cc1cc(Br)cc(F)c1[O-] ZINC001660199765 1196456397 /nfs/dbraw/zinc/45/63/97/1196456397.db2.gz QQNMOSULSWKDLV-UHFFFAOYSA-N 0 0 322.243 3.479 20 10 DGCDRN C[C@H](NC(=O)Nc1nc(-c2ccccc2)no1)c1ccccc1O ZINC001660467407 1196486841 /nfs/dbraw/zinc/48/68/41/1196486841.db2.gz QQLGDJHFOHHBCT-NSHDSACASA-N 0 0 324.340 3.325 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001660694485 1196512967 /nfs/dbraw/zinc/51/29/67/1196512967.db2.gz APZFXAZFIVHQFM-KBXCAEBGSA-N 0 0 301.336 3.444 20 10 DGCDRN CCn1cnc(Cl)c1CNCc1ccc2c(c1)CCCN2C ZINC001661174638 1196576145 /nfs/dbraw/zinc/57/61/45/1196576145.db2.gz APDWRSMUILUYCY-UHFFFAOYSA-N 0 0 318.852 3.229 20 10 DGCDRN CCN1CCCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001661412088 1196603401 /nfs/dbraw/zinc/60/34/01/1196603401.db2.gz YHQYRQYYUCIXJF-CYBMUJFWSA-N 0 0 300.805 3.149 20 10 DGCDRN C[C@H](NC(=O)Nc1nccn1-c1ccccc1)c1ccccc1O ZINC001661489647 1196611514 /nfs/dbraw/zinc/61/15/14/1196611514.db2.gz NKELNMGETKWTQC-ZDUSSCGKSA-N 0 0 322.368 3.461 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@@H]2CCCS2)c1 ZINC001661928328 1196663522 /nfs/dbraw/zinc/66/35/22/1196663522.db2.gz MSXFXBVACXGIAB-NSHDSACASA-N 0 0 316.264 3.448 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccccc2OCCF)c1 ZINC001662038380 1196677045 /nfs/dbraw/zinc/67/70/45/1196677045.db2.gz KFYDSXWVJZTRNG-UHFFFAOYSA-N 0 0 318.348 3.371 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)OC3CCCCC3)C2)cc1 ZINC001663060609 1196788337 /nfs/dbraw/zinc/78/83/37/1196788337.db2.gz JONDEAIGDYXSOC-AWEZNQCLSA-N 0 0 318.417 3.333 20 10 DGCDRN COc1cccc(NC(=O)NCc2cccc(OC)c2O)c1C ZINC001663394834 1196854816 /nfs/dbraw/zinc/85/48/16/1196854816.db2.gz XGVDYQXYYQLBRU-UHFFFAOYSA-N 0 0 316.357 3.040 20 10 DGCDRN COC(=O)[C@H](C)Cc1ccc(NCc2cc(F)ccc2O)cc1 ZINC001664194994 1196978576 /nfs/dbraw/zinc/97/85/76/1196978576.db2.gz RYTUYZVZZKQYQP-GFCCVEGCSA-N 0 0 317.360 3.495 20 10 DGCDRN O=C1NCCc2c(NCc3ccc4ccccc4c3O)cccc21 ZINC001664996080 1197085088 /nfs/dbraw/zinc/08/50/88/1197085088.db2.gz INXNIWPZOPQPFJ-UHFFFAOYSA-N 0 0 318.376 3.443 20 10 DGCDRN CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC001664995765 1197085217 /nfs/dbraw/zinc/08/52/17/1197085217.db2.gz VOCQFFPMZNFMHY-NSHDSACASA-N 0 0 323.439 3.154 20 10 DGCDRN CCOC(=O)c1[nH]c(C)c(CN(C)c2ccc(OC)cc2)c1C ZINC001665167930 1197103809 /nfs/dbraw/zinc/10/38/09/1197103809.db2.gz LPJWRGAZKHYFLW-UHFFFAOYSA-N 0 0 316.401 3.453 20 10 DGCDRN [O-]c1c(F)cccc1C[N@@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001665916517 1197216675 /nfs/dbraw/zinc/21/66/75/1197216675.db2.gz ZKNJDAJZOFVELY-KRWDZBQOSA-N 0 0 301.361 3.495 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCCCC2CCC2)cc1F ZINC001667686141 1197379542 /nfs/dbraw/zinc/37/95/42/1197379542.db2.gz KPFJLMGYXGANEQ-UHFFFAOYSA-N 0 0 307.413 3.271 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCC12CCC(CC1)C2 ZINC001668779632 1197430005 /nfs/dbraw/zinc/43/00/05/1197430005.db2.gz XXFJIJBEBKFMHD-UHFFFAOYSA-N 0 0 315.461 3.441 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H](C)C1CCC1 ZINC001671294998 1197534592 /nfs/dbraw/zinc/53/45/92/1197534592.db2.gz ZPTLQQIUXFPGBF-LSDHHAIUSA-N 0 0 317.477 3.480 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1CCCC[C@@H]1F)c1ccc(N(C)C)cc1 ZINC001671852435 1197575308 /nfs/dbraw/zinc/57/53/08/1197575308.db2.gz YJSYARNLRZXPHB-UHOFOFEASA-N 0 0 307.413 3.394 20 10 DGCDRN C[C@H](NC(=O)NC[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C)c1ccc(N(C)C)cc1 ZINC001671852162 1197575605 /nfs/dbraw/zinc/57/56/05/1197575605.db2.gz RYGCXMBOOOHKAB-ZFOGPFJYSA-N 0 0 315.461 3.405 20 10 DGCDRN C[C@H](NC(=O)Nc1cc(F)cc(N(C)C)c1)c1ccccc1O ZINC001672872509 1197626185 /nfs/dbraw/zinc/62/61/85/1197626185.db2.gz GEBJBBUFPXBAMT-NSHDSACASA-N 0 0 317.364 3.480 20 10 DGCDRN C[C@H](NC(=O)NCc1cc(O)ccc1Cl)c1ccccc1O ZINC001675599652 1198093151 /nfs/dbraw/zinc/09/31/51/1198093151.db2.gz KUDXKGYVJWREJH-JTQLQIEISA-N 0 0 320.776 3.312 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2cccc(-c3cc[nH]n3)c2)c1 ZINC001676168376 1198239249 /nfs/dbraw/zinc/23/92/49/1198239249.db2.gz SNAMABIRQOHPCA-UHFFFAOYSA-N 0 0 322.368 3.412 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc(N(C)C)c(F)c2)c1 ZINC001680096383 1198855956 /nfs/dbraw/zinc/85/59/56/1198855956.db2.gz BQJDQSXUEMJCBI-UHFFFAOYSA-N 0 0 317.364 3.227 20 10 DGCDRN Cc1ccccc1CCNC(=O)NCc1cc(Cl)ccc1O ZINC001680221990 1198867892 /nfs/dbraw/zinc/86/78/92/1198867892.db2.gz QUXREXYMUQNZNS-UHFFFAOYSA-N 0 0 318.804 3.396 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC(C)(C)/C=C/Cl ZINC001684306124 1199373956 /nfs/dbraw/zinc/37/39/56/1199373956.db2.gz WBOPJMXUCQKPSZ-CMDGGOBGSA-N 0 0 309.841 3.391 20 10 DGCDRN C[C@H](NC(=O)NCc1cccc2[nH]ccc21)c1ccccc1O ZINC001684903565 1199424095 /nfs/dbraw/zinc/42/40/95/1199424095.db2.gz RYUTYJFKPNAXCS-LBPRGKRZSA-N 0 0 309.369 3.434 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H]2C[C@@H]2C2CCCC2)c1 ZINC001685785172 1199507784 /nfs/dbraw/zinc/50/77/84/1199507784.db2.gz HGJMUYGMJIMMIL-GOEBONIOSA-N 0 0 302.418 3.326 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC001686272145 1199548813 /nfs/dbraw/zinc/54/88/13/1199548813.db2.gz ASGNXJOJSPQEOL-PIIMJCKOSA-N 0 0 313.445 3.227 20 10 DGCDRN C[C@@H](NC(=O)NCc1ccccc1O)[C@@H]1CC2CCC1CC2 ZINC001686933503 1199602285 /nfs/dbraw/zinc/60/22/85/1199602285.db2.gz PJAXFHDPNDXESO-WOICTCIZSA-N 0 0 302.418 3.406 20 10 DGCDRN Cc1nnc(N2CCC[C@@H]2C)n1CCCSc1nccs1 ZINC001742820161 1201285613 /nfs/dbraw/zinc/28/56/13/1201285613.db2.gz OMWHJTYSDLPQOH-NSHDSACASA-N 0 0 323.491 3.214 20 10 DGCDRN CN(C)c1cccc(NC(=S)Nc2ccc3c(c2)OCO3)c1 ZINC000243953438 1203601962 /nfs/dbraw/zinc/60/19/62/1203601962.db2.gz RYVGEVBHGVYOIV-UHFFFAOYSA-N 0 0 315.398 3.290 20 10 DGCDRN CCN1CCN(C(=O)/C=C\c2cnc(C)s2)c2ccccc21 ZINC000255366216 1203843569 /nfs/dbraw/zinc/84/35/69/1203843569.db2.gz MHOJCLFKONBZBR-HJWRWDBZSA-N 0 0 313.426 3.338 20 10 DGCDRN Cc1nnc(N(C)Cc2ccccc2O)n1CCC1(F)CCC1 ZINC001726357608 1204293582 /nfs/dbraw/zinc/29/35/82/1204293582.db2.gz OBCGKTQQYXDVSJ-UHFFFAOYSA-N 0 0 318.396 3.211 20 10 DGCDRN C[C@@H]1C[C@H]([NH2+]C2CCC(C(=O)[O-])CC2)c2c1c(F)ccc2O ZINC001589291460 953604209 /nfs/dbraw/zinc/60/42/09/953604209.db2.gz IVFRCODADDSPPC-PGHLRGPGSA-N 0 0 307.365 3.313 20 10 DGCDRN Cc1cc(C[N@@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])ccc1N1CCCCC1 ZINC001594303642 957934470 /nfs/dbraw/zinc/93/44/70/957934470.db2.gz XGXYJLYXXDKWFP-CRAIPNDOSA-N 0 0 316.445 3.423 20 10 DGCDRN COc1cc(C[NH2+]C[C@@H](C(=O)[O-])C(C)C)c(O)c(C(C)(C)C)c1 ZINC001594058379 958062617 /nfs/dbraw/zinc/06/26/17/958062617.db2.gz SEEGFYKOSSDYMA-CQSZACIVSA-N 0 0 323.433 3.145 20 10 DGCDRN Cc1cccc([C@H]([NH2+]Cc2ccc(N(C)C)cc2C)C(=O)[O-])c1 ZINC001574394882 961201495 /nfs/dbraw/zinc/20/14/95/961201495.db2.gz HNTFKIUOTJFSOH-SFHVURJKSA-N 0 0 312.413 3.285 20 10 DGCDRN C[C@H](COc1ccccc1)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001592782804 979419858 /nfs/dbraw/zinc/41/98/58/979419858.db2.gz MBPSHKDUXAPRPV-CHWSQXEVSA-N 0 0 315.369 3.209 20 10 DGCDRN CC[C@@]([NH2+]Cc1ccc(OC)c(C)c1)(C(=O)[O-])c1ccccc1 ZINC001595299659 980429375 /nfs/dbraw/zinc/42/93/75/980429375.db2.gz BDHYGVDJICBDJJ-IBGZPJMESA-N 0 0 313.397 3.483 20 10 DGCDRN C[N@H+](Cc1ccc(C2(C(=O)[O-])CC2)cc1)Cc1ccccc1O ZINC001598517955 992641517 /nfs/dbraw/zinc/64/15/17/992641517.db2.gz NWOZAJMEMFUAJU-UHFFFAOYSA-N 0 0 311.381 3.140 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(F)cnc1Cl)c1cc(C(=O)[O-])ccc1O ZINC001593291610 994669166 /nfs/dbraw/zinc/66/91/66/994669166.db2.gz AGDUJDXGRWEQQO-QMMMGPOBSA-N 0 0 324.739 3.129 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cc(C(=O)[O-])co1 ZINC001593304689 994752910 /nfs/dbraw/zinc/75/29/10/994752910.db2.gz PHVYVORBRPDPNU-GFCCVEGCSA-N 0 0 314.385 3.211 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCCc2cccnc21)c1cc(C(=O)[O-])ccc1O ZINC001593354390 994990761 /nfs/dbraw/zinc/99/07/61/994990761.db2.gz OSAOANZVVKDIJC-XHDPSFHLSA-N 0 0 312.369 3.214 20 10 DGCDRN COC1(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)CCC(C)CC1 ZINC001599091183 997194438 /nfs/dbraw/zinc/19/44/38/997194438.db2.gz LETPRSHPOQLEPO-YNAXMUEKSA-N 0 0 321.417 3.336 20 10 DGCDRN C[C@H]1[C@H]([NH2+]CCCSc2nccs2)CC[C@H]1CC(=O)[O-] ZINC001594182709 998702503 /nfs/dbraw/zinc/70/25/03/998702503.db2.gz FYKXJXHNXIJDMD-GRYCIOLGSA-N 0 0 314.476 3.104 20 10 DGCDRN C[C@H]1CC[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C[C@H]1F ZINC001594422728 999575610 /nfs/dbraw/zinc/57/56/10/999575610.db2.gz IQVCOBSOOIDZHT-IINYFYTJSA-N 0 0 322.355 3.196 20 10 DGCDRN C[N@H+](CCCC(=O)c1cccnc1)Cc1cc(F)ccc1O ZINC001140054924 1081766162 /nfs/dbraw/zinc/76/61/62/1081766162.db2.gz AFTHWYPUUARBMC-UHFFFAOYSA-N 0 0 302.349 3.021 20 10 DGCDRN CC(=O)N1CCc2ccc(Nc3ccc4c(c3)OCCN4)cc21 ZINC001209766561 1081791660 /nfs/dbraw/zinc/79/16/60/1081791660.db2.gz QVJHVUUDNXLOLL-UHFFFAOYSA-N 0 0 309.369 3.144 20 10 DGCDRN CCCc1cc(NCc2ccc(O)c(O)c2)nc(CCC)n1 ZINC001169990651 1081791902 /nfs/dbraw/zinc/79/19/02/1081791902.db2.gz KVBVYYONBVUBLS-UHFFFAOYSA-N 0 0 301.390 3.405 20 10 DGCDRN CC(=O)N1CCCc2ccc(NCc3ccc(O)c(O)c3)cc21 ZINC001169993343 1081806740 /nfs/dbraw/zinc/80/67/40/1081806740.db2.gz UKZBKROMFKIAHO-UHFFFAOYSA-N 0 0 312.369 3.009 20 10 DGCDRN COC(=O)c1nccc2c(NCc3ccc(O)c(O)c3)cccc21 ZINC001169995323 1081817922 /nfs/dbraw/zinc/81/79/22/1081817922.db2.gz ZBHKCLUWRVCCPU-UHFFFAOYSA-N 0 0 324.336 3.045 20 10 DGCDRN CN(C(=O)/C=C\c1cn(C)cn1)c1c(Cl)cccc1Cl ZINC001266441021 1081821851 /nfs/dbraw/zinc/82/18/51/1081821851.db2.gz QFKIHYZKKKJNJX-SREVYHEPSA-N 0 0 310.184 3.403 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(-c2cnn(C)c2)cc1)c1ccccc1O ZINC001648889575 1081953929 /nfs/dbraw/zinc/95/39/29/1081953929.db2.gz BWRNFHMKDJNERK-CYBMUJFWSA-N 0 0 321.380 3.284 20 10 DGCDRN C[C@@H](NC(=O)COC/C=C/c1ccccc1)c1ccccc1O ZINC001648889799 1081954307 /nfs/dbraw/zinc/95/43/07/1081954307.db2.gz MTYBWCIBFXAIPZ-JOZWUWCOSA-N 0 0 311.381 3.299 20 10 DGCDRN CCn1cc(C(=O)N[C@H](C)c2ccccc2O)c(C(C)C)n1 ZINC001648889627 1081954438 /nfs/dbraw/zinc/95/44/38/1081954438.db2.gz FNMZJLLGQHGHTJ-GFCCVEGCSA-N 0 0 301.390 3.223 20 10 DGCDRN C[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)Cc1cccs1 ZINC000588406661 1082151551 /nfs/dbraw/zinc/15/15/51/1082151551.db2.gz WUFUYOHHJLUMAK-SMYYYNMVSA-N 0 0 317.410 3.168 20 10 DGCDRN CCOc1cc(F)ccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588405963 1082151603 /nfs/dbraw/zinc/15/16/03/1082151603.db2.gz OWJGUHKGGZLARG-YWEYNIOJSA-N 0 0 317.316 3.288 20 10 DGCDRN CCCc1cnc(NC(=O)/C=C\c2ccc(O)c(O)c2)s1 ZINC000588407190 1082154901 /nfs/dbraw/zinc/15/49/01/1082154901.db2.gz FCXCMYUZLGNEIW-ALCCZGGFSA-N 0 0 304.371 3.159 20 10 DGCDRN Cc1ccc(C[C@@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)s1 ZINC000588407004 1082154936 /nfs/dbraw/zinc/15/49/36/1082154936.db2.gz HVKCYHHRFSTIFN-UIJKISKDSA-N 0 0 317.410 3.228 20 10 DGCDRN CC1(CNC(=O)/C=C\c2ccc(O)c(O)c2)Cc2ccccc2C1 ZINC000588407867 1082162892 /nfs/dbraw/zinc/16/28/92/1082162892.db2.gz JPNHIXXOGOLMIZ-CLFYSBASSA-N 0 0 323.392 3.032 20 10 DGCDRN CC(C)[C@H]1CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000588407975 1082162995 /nfs/dbraw/zinc/16/29/95/1082162995.db2.gz JLFMGQYSXCUCJM-LYASGUKUSA-N 0 0 303.402 3.396 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(-c2ncco2)c1 ZINC000588408591 1082163643 /nfs/dbraw/zinc/16/36/43/1082163643.db2.gz KGZGAXVFTMQSLF-ALCCZGGFSA-N 0 0 322.320 3.405 20 10 DGCDRN Cc1cncc2cccc(NCC(=O)c3ccc(O)c(O)c3)c12 ZINC001170314948 1082344966 /nfs/dbraw/zinc/34/49/66/1082344966.db2.gz MMTCZTKWEDCELY-UHFFFAOYSA-N 0 0 308.337 3.249 20 10 DGCDRN CSc1cc(NCC(=O)c2ccc(O)c(O)c2)ccc1C ZINC001170320641 1082345072 /nfs/dbraw/zinc/34/50/72/1082345072.db2.gz GNNHSYWERDGEDT-UHFFFAOYSA-N 0 0 303.383 3.423 20 10 DGCDRN Cc1cc(OC(C)C)ccc1NCC(=O)c1ccc(O)c(O)c1 ZINC001170322989 1082346489 /nfs/dbraw/zinc/34/64/89/1082346489.db2.gz RIKSIFAHYPZORF-UHFFFAOYSA-N 0 0 315.369 3.488 20 10 DGCDRN C[C@@H]1CN(C(=O)/C=C\c2cncc(F)c2)c2cccc(F)c2O1 ZINC000588513003 1082522374 /nfs/dbraw/zinc/52/23/74/1082522374.db2.gz YOWCZKLZISCYBC-ISALQUGTSA-N 0 0 316.307 3.187 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)N1CCOc2cc(F)c(F)cc21 ZINC001130407407 1082576763 /nfs/dbraw/zinc/57/67/63/1082576763.db2.gz DOQUWQYOPYFDER-NSCUHMNNSA-N 0 0 316.307 3.107 20 10 DGCDRN CCC[C@H](CC)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001130547796 1082590684 /nfs/dbraw/zinc/59/06/84/1082590684.db2.gz PWYSJYAXLWNWSZ-HNNXBMFYSA-N 0 0 306.450 3.416 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C\c2ccc(Cl)nc2)cc1 ZINC001130574366 1082594994 /nfs/dbraw/zinc/59/49/94/1082594994.db2.gz HILVOIJRFXNRHE-WMZJFQQLSA-N 0 0 302.761 3.420 20 10 DGCDRN Cc1cncc(/C=C/C(=O)N2CCOc3c(F)cc(F)cc32)c1 ZINC001130638887 1082601415 /nfs/dbraw/zinc/60/14/15/1082601415.db2.gz RVPKFVOHYYVLDN-NSCUHMNNSA-N 0 0 316.307 3.107 20 10 DGCDRN Cc1cc(C)c2c(c1)N(C(=O)/C=C\c1cncc(F)c1)CCO2 ZINC001130700047 1082607477 /nfs/dbraw/zinc/60/74/77/1082607477.db2.gz OADDEIZIUBWAFB-ARJAWSKDSA-N 0 0 312.344 3.276 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccc[nH]c2=O)cc1 ZINC001132056429 1082803644 /nfs/dbraw/zinc/80/36/44/1082803644.db2.gz PANJKZIQNWMNBS-UHFFFAOYSA-N 0 0 321.380 3.125 20 10 DGCDRN Cc1nc(Cl)ccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588611775 1082845305 /nfs/dbraw/zinc/84/53/05/1082845305.db2.gz DRWYCFHKTZIHRL-CLTKARDFSA-N 0 0 304.733 3.107 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000690798852 1083166130 /nfs/dbraw/zinc/16/61/30/1083166130.db2.gz KQCRXBWVCODSCW-KOLCDFICSA-N 0 0 302.201 3.167 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000690798856 1083166356 /nfs/dbraw/zinc/16/63/56/1083166356.db2.gz KQCRXBWVCODSCW-ONGXEEELSA-N 0 0 302.201 3.167 20 10 DGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)[C@H]2CCCC[C@H]2O)cc1 ZINC001181085034 1083400022 /nfs/dbraw/zinc/40/00/22/1083400022.db2.gz GYVSLERVZOULIK-RBUKOAKNSA-N 0 0 324.424 3.353 20 10 DGCDRN COc1ccc(N(C)C[C@H]2C[C@@]2(C)Br)cc1OC ZINC001182604330 1083764863 /nfs/dbraw/zinc/76/48/63/1083764863.db2.gz GRVSYFIELNERLA-QMTHXVAHSA-N 0 0 314.223 3.314 20 10 DGCDRN COc1cc(C)c(C[NH+]2CCC([C@H]3CCCCO3)CC2)c(O)c1 ZINC001182917829 1083840606 /nfs/dbraw/zinc/84/06/06/1083840606.db2.gz CMLQHPIWLKXAQU-LJQANCHMSA-N 0 0 319.445 3.490 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CC1(C)CCOCC1 ZINC001183835658 1084038931 /nfs/dbraw/zinc/03/89/31/1084038931.db2.gz GMIQWYBOMWSJDD-UHFFFAOYSA-N 0 0 318.461 3.308 20 10 DGCDRN C[N@@H+]1C[C@H]2CCCN(Cc3cc(Cl)cc(Cl)c3[O-])[C@H]2C1 ZINC001203579710 1084071683 /nfs/dbraw/zinc/07/16/83/1084071683.db2.gz CBBHWVPWDBSEHH-YGRLFVJLSA-N 0 0 315.244 3.225 20 10 DGCDRN Cc1cccc2ccn(CC(=O)N3CCc4cccc(O)c4C3)c21 ZINC001184196396 1084122106 /nfs/dbraw/zinc/12/21/06/1084122106.db2.gz VVXZMMSVYCMKPL-UHFFFAOYSA-N 0 0 320.392 3.240 20 10 DGCDRN CC(=O)[C@H](C)CC(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001184340853 1084164421 /nfs/dbraw/zinc/16/44/21/1084164421.db2.gz HRTSWJRFRLQLQL-CQSZACIVSA-N 0 0 310.397 3.417 20 10 DGCDRN Cn1ccnc1[C@@H](NCc1ccc(Cl)cc1O)C(F)(F)F ZINC001184429077 1084182151 /nfs/dbraw/zinc/18/21/51/1084182151.db2.gz SMZRWMOADAQBQQ-LLVKDONJSA-N 0 0 319.714 3.172 20 10 DGCDRN COc1ccc(N(CCc2ccccc2)CC[S@](C)=O)cc1 ZINC001167880711 1084377520 /nfs/dbraw/zinc/37/75/20/1084377520.db2.gz DSHOMZHHZBTUDU-QFIPXVFZSA-N 0 0 317.454 3.123 20 10 DGCDRN Cc1cc(S(=O)(=O)Nc2ccc(O)c(F)c2)ccc1Cl ZINC001185521735 1084462672 /nfs/dbraw/zinc/46/26/72/1084462672.db2.gz YMAKCYOQCVBDHT-UHFFFAOYSA-N 0 0 315.753 3.294 20 10 DGCDRN CCN(Cc1ccccc1O)C(=O)NCc1cccc(F)c1 ZINC001185816844 1084537280 /nfs/dbraw/zinc/53/72/80/1084537280.db2.gz FDEFHAQICINPRT-UHFFFAOYSA-N 0 0 302.349 3.263 20 10 DGCDRN CS(=O)(=O)N(c1coc2ccccc21)c1ccc(N)cc1 ZINC001203152078 1084576844 /nfs/dbraw/zinc/57/68/44/1084576844.db2.gz MGVIOURASRWDMY-UHFFFAOYSA-N 0 0 302.355 3.113 20 10 DGCDRN O=C(Nc1c(F)cc(F)cc1F)N1CCc2cccc(O)c2C1 ZINC001186047367 1084582372 /nfs/dbraw/zinc/58/23/72/1084582372.db2.gz NROVFKQBNGKWQC-UHFFFAOYSA-N 0 0 322.286 3.400 20 10 DGCDRN OC[C@H]1CCC[C@@H](C(F)(F)F)N1Cc1cc(Cl)ccc1O ZINC001203651670 1084736545 /nfs/dbraw/zinc/73/65/45/1084736545.db2.gz SBDBOSBDVKUGOU-YPMHNXCESA-N 0 0 323.742 3.323 20 10 DGCDRN Cc1ccc2cccc(NCCc3cc(O)c(O)cc3O)c2n1 ZINC001168009225 1086177011 /nfs/dbraw/zinc/17/70/11/1086177011.db2.gz KLMKHNPNGHQRTF-UHFFFAOYSA-N 0 0 310.353 3.315 20 10 DGCDRN C/C(=C\c1cccnc1)C(=O)N1C[C@@H](C)Oc2cc(F)ccc21 ZINC001126538946 1086295338 /nfs/dbraw/zinc/29/53/38/1086295338.db2.gz ZBSFYDVJLSFUMB-YQCJOKCJSA-N 0 0 312.344 3.438 20 10 DGCDRN C/C(=C/c1cccnc1)C(=O)N1C[C@H](C)Oc2cc(F)ccc21 ZINC001126538935 1086296462 /nfs/dbraw/zinc/29/64/62/1086296462.db2.gz ZBSFYDVJLSFUMB-FSBNRTBOSA-N 0 0 312.344 3.438 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)Nc1cc2cc[nH]c2cn1 ZINC001625969860 1087035703 /nfs/dbraw/zinc/03/57/03/1087035703.db2.gz VIHHICPTBAIHQO-UHFFFAOYSA-N 0 0 316.748 3.244 20 10 DGCDRN COc1ccc2c(c1)CCCCN2CC[C@H]1COC(C)(C)O1 ZINC001168245073 1087071034 /nfs/dbraw/zinc/07/10/34/1087071034.db2.gz XWIPGXWJMIGVRA-INIZCTEOSA-N 0 0 305.418 3.380 20 10 DGCDRN CC(=O)c1ccc2c(c1)CN(Cc1cc(F)c(F)cc1O)CC2 ZINC001142527155 1087277842 /nfs/dbraw/zinc/27/78/42/1087277842.db2.gz MLWACVLNCRKFGG-UHFFFAOYSA-N 0 0 317.335 3.431 20 10 DGCDRN O=C1CCC2(CC1)CC[NH+](Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142527479 1087278145 /nfs/dbraw/zinc/27/81/45/1087278145.db2.gz WIHHSQZXECEQDQ-UHFFFAOYSA-N 0 0 309.356 3.396 20 10 DGCDRN Cc1cc(C(=O)N2Cc3cccc(O)c3C2)nc2ccccc12 ZINC001152565449 1088002448 /nfs/dbraw/zinc/00/24/48/1088002448.db2.gz LUGYRUJSGOQKGS-UHFFFAOYSA-N 0 0 304.349 3.405 20 10 DGCDRN Oc1ccc(CNc2nccc3cc(Cl)ncc32)cc1O ZINC001158996123 1088126543 /nfs/dbraw/zinc/12/65/43/1088126543.db2.gz WLHCLMYLXNYCJX-UHFFFAOYSA-N 0 0 301.733 3.307 20 10 DGCDRN O=C(/C=C/COc1ccccc1)NCc1cccc(Cl)c1O ZINC001159041507 1088155243 /nfs/dbraw/zinc/15/52/43/1088155243.db2.gz PXQMTTOBJGSLOZ-BJMVGYQFSA-N 0 0 317.772 3.297 20 10 DGCDRN CN1CCN(c2ccc(Nc3ccc(N)cc3)cc2Cl)CC1 ZINC001159505126 1088370355 /nfs/dbraw/zinc/37/03/55/1088370355.db2.gz UCYLYEOZDZZHNC-UHFFFAOYSA-N 0 0 316.836 3.418 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1cc2sccc2s1 ZINC001153879555 1088393621 /nfs/dbraw/zinc/39/36/21/1088393621.db2.gz QDYYFDSKEGNVHU-UHFFFAOYSA-N 0 0 305.380 3.304 20 10 DGCDRN O=C(C[C@H]1CCCc2ccccc21)NCc1cc(O)ccc1O ZINC001153885950 1088394713 /nfs/dbraw/zinc/39/47/13/1088394713.db2.gz UHOVCNPOAMNXPI-CQSZACIVSA-N 0 0 311.381 3.224 20 10 DGCDRN CCc1ccc(CN2CCN(c3ccc(OC)cc3)CC2)o1 ZINC001204389100 1088543333 /nfs/dbraw/zinc/54/33/33/1088543333.db2.gz JNQOKNFQEJSJQW-UHFFFAOYSA-N 0 0 300.402 3.173 20 10 DGCDRN COc1nc(Cl)nc(NCc2cc3ccccc3cc2O)n1 ZINC001160207927 1088699358 /nfs/dbraw/zinc/69/93/58/1088699358.db2.gz WYJMHEKKGRWDSV-UHFFFAOYSA-N 0 0 316.748 3.005 20 10 DGCDRN COc1cccc2c(C(=O)N3CCc4cccc(O)c4C3)c[nH]c21 ZINC001154873605 1088802111 /nfs/dbraw/zinc/80/21/11/1088802111.db2.gz FBBXRHWHWJLXDK-UHFFFAOYSA-N 0 0 322.364 3.081 20 10 DGCDRN CCN(Cc1ccccc1O)c1ncc(C)c(NC(C)C)n1 ZINC001154881015 1088807634 /nfs/dbraw/zinc/80/76/34/1088807634.db2.gz DXDHFJGUOGANHZ-UHFFFAOYSA-N 0 0 300.406 3.337 20 10 DGCDRN CCN(Cc1ccccc1O)c1ccc(Cl)c(C(=O)OC)n1 ZINC001154888909 1088809200 /nfs/dbraw/zinc/80/92/00/1088809200.db2.gz JZWCJYOUXDKASA-UHFFFAOYSA-N 0 0 320.776 3.254 20 10 DGCDRN CCN(Cc1ccccc1O)c1nc(C(N)=O)cc2ccccc21 ZINC001154890994 1088813629 /nfs/dbraw/zinc/81/36/29/1088813629.db2.gz ZJKACYUHHOJOFY-UHFFFAOYSA-N 0 0 321.380 3.066 20 10 DGCDRN CCN(Cc1ccccc1O)c1ccnc(-c2cccnc2)n1 ZINC001154889382 1088814671 /nfs/dbraw/zinc/81/46/71/1088814671.db2.gz YCIDOLBMBDMYNU-UHFFFAOYSA-N 0 0 306.369 3.271 20 10 DGCDRN COC(=O)c1cnc(NCc2cccc(C)c2O)c(Cl)c1 ZINC001160764148 1088946308 /nfs/dbraw/zinc/94/63/08/1088946308.db2.gz DFHAATLRGKSWGU-UHFFFAOYSA-N 0 0 306.749 3.148 20 10 DGCDRN CCOC(=O)c1ccc(C)c(NCc2cccc(C)c2O)n1 ZINC001160764434 1088947827 /nfs/dbraw/zinc/94/78/27/1088947827.db2.gz IQSWWYPEDILTJE-UHFFFAOYSA-N 0 0 300.358 3.193 20 10 DGCDRN COC(=O)c1ccc2c(c1)ncnc2NCc1cccc(C)c1O ZINC001160765267 1088948884 /nfs/dbraw/zinc/94/88/84/1088948884.db2.gz YOEYPZZTMZGTHM-UHFFFAOYSA-N 0 0 323.352 3.043 20 10 DGCDRN COC(=O)c1cccc2nc(NCc3cccc(C)c3O)ncc21 ZINC001160769702 1088951105 /nfs/dbraw/zinc/95/11/05/1088951105.db2.gz QBUFQSSHBNDXHG-UHFFFAOYSA-N 0 0 323.352 3.043 20 10 DGCDRN Cc1cc(C)c(CN[C@@H](F)Oc2ccc(Cl)nc2)c(O)c1 ZINC001160810989 1088974200 /nfs/dbraw/zinc/97/42/00/1088974200.db2.gz YQUOOSCOFALBRL-OAHLLOKOSA-N 0 0 310.756 3.479 20 10 DGCDRN COC(=O)c1ccc(Cl)nc1NCc1c(C)cc(C)cc1O ZINC001160808695 1088974460 /nfs/dbraw/zinc/97/44/60/1088974460.db2.gz YWLRZRPIVXGJEV-UHFFFAOYSA-N 0 0 320.776 3.456 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2c[nH]c3c2cccc3O)c(O)c1 ZINC001155304168 1089057773 /nfs/dbraw/zinc/05/77/73/1089057773.db2.gz BUCHGWGNQARLPR-UHFFFAOYSA-N 0 0 310.353 3.126 20 10 DGCDRN Cc1ccnc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1C1CC1 ZINC001155410176 1089099813 /nfs/dbraw/zinc/09/98/13/1089099813.db2.gz VFKNDMFPNRIDNZ-XVNBXDOJSA-N 0 0 310.353 3.331 20 10 DGCDRN CCN(Cc1cccc(F)c1F)C(=O)Cc1ccc(N)cc1 ZINC001161102499 1089119062 /nfs/dbraw/zinc/11/90/62/1089119062.db2.gz QEPAOASETOSXGM-UHFFFAOYSA-N 0 0 304.340 3.138 20 10 DGCDRN CSC1(CNC(=O)c2ccc(C)c(O)c2O)CCCCC1 ZINC001155560935 1089164315 /nfs/dbraw/zinc/16/43/15/1089164315.db2.gz CHQKSDWFMVPBND-UHFFFAOYSA-N 0 0 309.431 3.202 20 10 DGCDRN C/C(=C/C(=O)NCc1c(O)cccc1F)c1cccc(F)c1 ZINC001156171239 1089417127 /nfs/dbraw/zinc/41/71/27/1089417127.db2.gz YOXHRFKJDCYAMG-FLIBITNWSA-N 0 0 303.308 3.390 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC001156206088 1089432652 /nfs/dbraw/zinc/43/26/52/1089432652.db2.gz NETSDZUYDJMCCT-CABCVRRESA-N 0 0 308.341 3.135 20 10 DGCDRN CCCCCC(=O)NCCC1=CCN(c2ccnc(C)n2)CC1 ZINC001089803362 1089519550 /nfs/dbraw/zinc/51/95/50/1089519550.db2.gz LBDQUPDNFSYKIH-UHFFFAOYSA-N 0 0 316.449 3.008 20 10 DGCDRN O=C(NCCC1=CCN(c2cccc(F)n2)CC1)C1CCCC1 ZINC001089803200 1089520474 /nfs/dbraw/zinc/52/04/74/1089520474.db2.gz BMBKVLJIQLFZRU-UHFFFAOYSA-N 0 0 317.408 3.054 20 10 DGCDRN C[C@@H](C(=O)NCc1ccc(O)cc1O)c1cn(C)c2ccccc12 ZINC001162277950 1089650372 /nfs/dbraw/zinc/65/03/72/1089650372.db2.gz DZANZLGEWXRZEZ-GFCCVEGCSA-N 0 0 324.380 3.009 20 10 DGCDRN CCc1ccc([C@@H](C)CC(=O)NCc2c(O)cccc2O)cc1 ZINC001156881347 1089729345 /nfs/dbraw/zinc/72/93/45/1089729345.db2.gz ZOFIGCGPAZYJQC-ZDUSSCGKSA-N 0 0 313.397 3.470 20 10 DGCDRN CCC(CC)(C(=O)NCc1c(O)cccc1O)c1ccccc1 ZINC001156880838 1089729655 /nfs/dbraw/zinc/72/96/55/1089729655.db2.gz DAJDLEAKHNMXHM-UHFFFAOYSA-N 0 0 313.397 3.472 20 10 DGCDRN COc1nc(N(C)Cc2ccc(N(C)C)cc2)nc2ccccc21 ZINC001156921092 1089744434 /nfs/dbraw/zinc/74/44/34/1089744434.db2.gz SJFQZDKKMWXAMN-UHFFFAOYSA-N 0 0 322.412 3.341 20 10 DGCDRN COc1ccc2ncc(N(C)Cc3ccc(N(C)C)cc3)nc2c1 ZINC001156923463 1089745941 /nfs/dbraw/zinc/74/59/41/1089745941.db2.gz DRCQEIJAEIVEDL-UHFFFAOYSA-N 0 0 322.412 3.341 20 10 DGCDRN CO[C@@H]1CCC[C@@H](C(=O)NCc2c(O)ccc3ccccc32)C1 ZINC001157041874 1089796294 /nfs/dbraw/zinc/79/62/94/1089796294.db2.gz QKWMHFPMLASNRO-HUUCEWRRSA-N 0 0 313.397 3.367 20 10 DGCDRN CCc1ccccc1CC(=O)NCc1ccc2cccnc2c1O ZINC001162613193 1089830697 /nfs/dbraw/zinc/83/06/97/1089830697.db2.gz YKJKLKQVKXFESI-UHFFFAOYSA-N 0 0 320.392 3.362 20 10 DGCDRN C[C@H]1C[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])CC[C@@]1(C)O ZINC001236792618 1089863558 /nfs/dbraw/zinc/86/35/58/1089863558.db2.gz GEJONENKFSAQHU-LKFCYVNXSA-N 0 0 304.217 3.292 20 10 DGCDRN CC1CCN(C(=O)c2cccnc2NCc2ccc(N)cc2)CC1 ZINC001162787310 1089956050 /nfs/dbraw/zinc/95/60/50/1089956050.db2.gz IUEGARQVAAKVDL-UHFFFAOYSA-N 0 0 324.428 3.148 20 10 DGCDRN COc1cc2ccc(NCc3ccc(N)cc3)nc2cc1OC ZINC001162786483 1089956842 /nfs/dbraw/zinc/95/68/42/1089956842.db2.gz XWQBBJLBZHBRHN-UHFFFAOYSA-N 0 0 309.369 3.446 20 10 DGCDRN C[C@H](c1ccccc1)n1cc(NC(=O)c2cccc(O)c2O)cn1 ZINC001162838814 1089985732 /nfs/dbraw/zinc/98/57/32/1089985732.db2.gz GDVMWNBLWYQKMA-GFCCVEGCSA-N 0 0 323.352 3.156 20 10 DGCDRN C[C@@H](Nc1ncnc2[nH]c(Cl)cc21)c1ccc(N(C)C)cc1 ZINC001163099185 1090075713 /nfs/dbraw/zinc/07/57/13/1090075713.db2.gz DDCRVELAIITKEH-SNVBAGLBSA-N 0 0 315.808 3.272 20 10 DGCDRN C[C@@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)[C@H]1CO ZINC001237077703 1090283546 /nfs/dbraw/zinc/28/35/46/1090283546.db2.gz JNDADOPHGALDSG-SKDRFNHKSA-N 0 0 304.217 3.292 20 10 DGCDRN CCCN(CC(=O)OCC)Cc1c(O)ccc(Cl)c1Cl ZINC001237085080 1090284339 /nfs/dbraw/zinc/28/43/39/1090284339.db2.gz VAPYAZVERGDSHE-UHFFFAOYSA-N 0 0 320.216 3.474 20 10 DGCDRN COc1cnnc(NCc2cc(Cl)c3cccnc3c2O)c1 ZINC001168528342 1090358741 /nfs/dbraw/zinc/35/87/41/1090358741.db2.gz TZAOMQMWPYBVQU-UHFFFAOYSA-N 0 0 316.748 3.005 20 10 DGCDRN O=[N+]([O-])c1cnc(NCc2c(O)cccc2O)c2ccccc21 ZINC001164211336 1090373288 /nfs/dbraw/zinc/37/32/88/1090373288.db2.gz BJOIVYPDUBPUBL-UHFFFAOYSA-N 0 0 311.297 3.166 20 10 DGCDRN Cc1ccc(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)c(O)c1O ZINC001299248817 1090374670 /nfs/dbraw/zinc/37/46/70/1090374670.db2.gz LXNFINFJTGKVLL-QWHCGFSZSA-N 0 0 321.417 3.118 20 10 DGCDRN CNc1ccccc1N[C@@H](C(=O)OC)c1ccc(OC)cc1 ZINC001164547249 1090438863 /nfs/dbraw/zinc/43/88/63/1090438863.db2.gz VQXMEGDXIFXCJS-MRXNPFEDSA-N 0 0 300.358 3.063 20 10 DGCDRN CC(C)(C(=O)NCc1cc(Cl)ccc1O)c1cccc(O)c1 ZINC001165508858 1090527612 /nfs/dbraw/zinc/52/76/12/1090527612.db2.gz WWKZKFDCBVQKBT-UHFFFAOYSA-N 0 0 319.788 3.345 20 10 DGCDRN Nc1ccc(N(c2ccc(N)cc2)c2ccc(CO)nc2)cc1 ZINC001212386233 1090609064 /nfs/dbraw/zinc/60/90/64/1090609064.db2.gz RLCQFUXMPFLCFF-UHFFFAOYSA-N 0 0 306.369 3.208 20 10 DGCDRN COCOc1ccc(Cl)cc1N(CCO)c1ccc(N)cc1 ZINC001214422200 1090614359 /nfs/dbraw/zinc/61/43/59/1090614359.db2.gz GFXOCXBIJMEGEQ-UHFFFAOYSA-N 0 0 322.792 3.035 20 10 DGCDRN Cc1snnc1-c1nc(-c2cc(Cl)c(F)cc2F)no1 ZINC001212403007 1090623533 /nfs/dbraw/zinc/62/35/33/1090623533.db2.gz JFJOFCZZMSYYGP-UHFFFAOYSA-N 0 0 314.704 3.495 20 10 DGCDRN O=S(=O)(CCSc1ncc(Cl)s1)c1ccccc1 ZINC001166587607 1090624501 /nfs/dbraw/zinc/62/45/01/1090624501.db2.gz RAEAXXGPCFOEKF-UHFFFAOYSA-N 0 0 319.860 3.363 20 10 DGCDRN Cc1snnc1-c1nc(-c2ccc(OC(F)F)cc2)no1 ZINC001212405032 1090626326 /nfs/dbraw/zinc/62/63/26/1090626326.db2.gz FEHWKPZVMFJPHY-UHFFFAOYSA-N 0 0 310.285 3.165 20 10 DGCDRN Cc1snnc1-c1nc(-c2cc(F)c(Cl)cc2F)no1 ZINC001212405347 1090626350 /nfs/dbraw/zinc/62/63/50/1090626350.db2.gz PMEPTEXCFSECEL-UHFFFAOYSA-N 0 0 314.704 3.495 20 10 DGCDRN CCc1cc(N2CCc3c(c4cc(OC)ccc4n3C)C2)ncn1 ZINC001166818087 1090661604 /nfs/dbraw/zinc/66/16/04/1090661604.db2.gz LJZIMLBLHBWJJJ-UHFFFAOYSA-N 0 0 322.412 3.102 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2ncccc2OC)C1 ZINC001166815767 1090661729 /nfs/dbraw/zinc/66/17/29/1090661729.db2.gz HPQDTDCRLDNSRX-UHFFFAOYSA-N 0 0 323.396 3.153 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2ncc(C)nc2C)C1 ZINC001166819217 1090662461 /nfs/dbraw/zinc/66/24/61/1090662461.db2.gz QYSHNRUDJFTZLY-UHFFFAOYSA-N 0 0 322.412 3.156 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@]2(CCCO2)C1 ZINC001203574478 1090759402 /nfs/dbraw/zinc/75/94/02/1090759402.db2.gz YAYLAOBDFMTDMG-AWEZNQCLSA-N 0 0 302.201 3.454 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CCC([NH+]2CCC2)CC1 ZINC001203586095 1090762325 /nfs/dbraw/zinc/76/23/25/1090762325.db2.gz KPQWPRYUNSLMNK-UHFFFAOYSA-N 0 0 315.244 3.369 20 10 DGCDRN CCOc1cccc(CN2CCC[C@H](F)C(F)(F)C2)c1O ZINC001203602495 1090765261 /nfs/dbraw/zinc/76/52/61/1090765261.db2.gz ZTVLHTVUVXKNMG-ZDUSSCGKSA-N 0 0 303.324 3.360 20 10 DGCDRN CN(C)c1cc(F)c(CNCc2noc3ccccc23)cc1F ZINC001203652469 1090773568 /nfs/dbraw/zinc/77/35/68/1090773568.db2.gz WLBUPHAJVNDVIS-UHFFFAOYSA-N 0 0 317.339 3.462 20 10 DGCDRN CN(C)c1ccc(CN2CCCC(=O)[C@H](F)C2)c2ccccc21 ZINC001204232779 1090930788 /nfs/dbraw/zinc/93/07/88/1090930788.db2.gz JOSKSTCQQRKNER-QGZVFWFLSA-N 0 0 314.404 3.409 20 10 DGCDRN CN(Cc1nnc2ccccn21)Cc1cccc(C(C)(C)C)c1O ZINC001143103605 1090934551 /nfs/dbraw/zinc/93/45/51/1090934551.db2.gz GWDCKCMIMOFENM-UHFFFAOYSA-N 0 0 324.428 3.364 20 10 DGCDRN Oc1ccc(CN2Cc3cnc(-c4ccccc4)nc3C2)c(O)c1 ZINC001204280347 1090938999 /nfs/dbraw/zinc/93/89/99/1090938999.db2.gz JTJNCQRZFSDOPP-UHFFFAOYSA-N 0 0 319.364 3.071 20 10 DGCDRN Oc1ccc(CN2CCOC[C@@H]2c2ccccc2Cl)c(O)c1 ZINC001204278224 1090939094 /nfs/dbraw/zinc/93/90/94/1090939094.db2.gz ZAJXASAIYBKTOB-MRXNPFEDSA-N 0 0 319.788 3.325 20 10 DGCDRN CCN(Cc1cc(O)c(O)c(OC)c1)Cc1ccccc1F ZINC001204346479 1090952568 /nfs/dbraw/zinc/95/25/68/1090952568.db2.gz RBYVAFCHTAJYNR-UHFFFAOYSA-N 0 0 305.349 3.268 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccn(C)c(=O)c2)cc1 ZINC001273017013 1090996889 /nfs/dbraw/zinc/99/68/89/1090996889.db2.gz UXSCFJKOCWMWEY-UHFFFAOYSA-N 0 0 321.380 3.045 20 10 DGCDRN COc1ccc(C[C@H]2CC[N@@H+]2Cc2cc(F)c(F)cc2[O-])cc1 ZINC001204640597 1091010724 /nfs/dbraw/zinc/01/07/24/1091010724.db2.gz OWMFJRYPRFAVDZ-CQSZACIVSA-N 0 0 319.351 3.496 20 10 DGCDRN C[C@]1(CO)CC(F)(F)CN1Cc1ccc(N2CCCCC2)cc1 ZINC001138215565 1091118903 /nfs/dbraw/zinc/11/89/03/1091118903.db2.gz JSXUVTZCQYKODH-QGZVFWFLSA-N 0 0 324.415 3.269 20 10 DGCDRN COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1c(C)n(C)c2ccccc12 ZINC001138260682 1091127202 /nfs/dbraw/zinc/12/72/02/1091127202.db2.gz OZHYFGJFGYNDFA-QWQRMKEZSA-N 0 0 312.413 3.013 20 10 DGCDRN CCCc1nc(C)c(C(=O)Nc2c3nonc3ccc2Cl)o1 ZINC001117943532 1091133425 /nfs/dbraw/zinc/13/34/25/1091133425.db2.gz DOTJJKSTHVHDEH-UHFFFAOYSA-N 0 0 320.736 3.377 20 10 DGCDRN CN1CCCc2cc(CN3CC[C@H](CF)C(F)(F)C3)ccc21 ZINC001138354246 1091150088 /nfs/dbraw/zinc/15/00/88/1091150088.db2.gz BYECAFZCIBBWJN-OAHLLOKOSA-N 0 0 312.379 3.496 20 10 DGCDRN CCN(CC)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)c(OC)c1 ZINC001138388526 1091163337 /nfs/dbraw/zinc/16/33/37/1091163337.db2.gz WNQFNRHERVRSKW-HUUCEWRRSA-N 0 0 306.450 3.151 20 10 DGCDRN CCn1nccc1Nc1ccc(C(=O)Oc2ccc(N)cc2)cc1 ZINC001205317467 1091182737 /nfs/dbraw/zinc/18/27/37/1091182737.db2.gz CYXSPCBCECSGEG-UHFFFAOYSA-N 0 0 322.368 3.448 20 10 DGCDRN CCc1nnc(N(C)CC)n1Cc1ccc(N(CC)CC)cc1 ZINC001292824053 1091184558 /nfs/dbraw/zinc/18/45/58/1091184558.db2.gz FPTBUMBLLXMFRX-UHFFFAOYSA-N 0 0 315.465 3.191 20 10 DGCDRN [O-]c1cccc(F)c1C[N@@H+]1CC[C@H]1COCc1ccccc1 ZINC001137837729 1091208618 /nfs/dbraw/zinc/20/86/18/1091208618.db2.gz SDWGMEGUQBTAFQ-HNNXBMFYSA-N 0 0 301.361 3.322 20 10 DGCDRN Cc1n[nH]cc1C1CC[NH+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001205773388 1091341031 /nfs/dbraw/zinc/34/10/31/1091341031.db2.gz LYTXTTMXILDQBV-UHFFFAOYSA-N 0 0 307.344 3.082 20 10 DGCDRN COc1ccc(C)cc1NC(=O)NCc1cccc(C)c1O ZINC001202871459 1091355725 /nfs/dbraw/zinc/35/57/25/1091355725.db2.gz KEYQSEFWKWEYDS-UHFFFAOYSA-N 0 0 300.358 3.339 20 10 DGCDRN CN(Cc1nccs1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001294457681 1091398860 /nfs/dbraw/zinc/39/88/60/1091398860.db2.gz UUGJFEBBHIZZAO-UHFFFAOYSA-N 0 0 320.395 3.041 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ccc2ccc(O)cc2c1O ZINC001294680622 1091428725 /nfs/dbraw/zinc/42/87/25/1091428725.db2.gz YITIMFPCWJQXOB-UHFFFAOYSA-N 0 0 323.348 3.229 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1ccc(C(F)F)c(F)c1 ZINC001294868724 1091463248 /nfs/dbraw/zinc/46/32/48/1091463248.db2.gz GMDBPXIWYUGVLW-UHFFFAOYSA-N 0 0 311.259 3.105 20 10 DGCDRN Cc1cccc2c1OC[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])C2 ZINC001206121634 1091500676 /nfs/dbraw/zinc/50/06/76/1091500676.db2.gz LLVZZKLLGHVONV-ZDUSSCGKSA-N 0 0 305.324 3.072 20 10 DGCDRN COc1cc(NC(=O)N[C@@H](C)c2ccccc2O)cc(Cl)n1 ZINC001206152937 1091512295 /nfs/dbraw/zinc/51/22/95/1091512295.db2.gz PLJLSBDRLYJXFD-VIFPVBQESA-N 0 0 321.764 3.332 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2cc(Cl)ccc2O)cc1 ZINC001295350706 1091553612 /nfs/dbraw/zinc/55/36/12/1091553612.db2.gz KQZLALSSMRLLSL-UHFFFAOYSA-N 0 0 318.720 3.460 20 10 DGCDRN Cc1cc(CN2CCc3cnc(C4CC4)nc3C2)ccc1N(C)C ZINC001139674626 1091640081 /nfs/dbraw/zinc/64/00/81/1091640081.db2.gz YOHGXDYHWCXTKC-UHFFFAOYSA-N 0 0 322.456 3.287 20 10 DGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001139685290 1091640928 /nfs/dbraw/zinc/64/09/28/1091640928.db2.gz VULUPNZPXFNFOM-CYBMUJFWSA-N 0 0 305.324 3.324 20 10 DGCDRN COc1ccccc1CC[N@H+](C)Cc1c(F)ccc(F)c1[O-] ZINC001139683256 1091641491 /nfs/dbraw/zinc/64/14/91/1091641491.db2.gz JPIHANVQWBLJLY-UHFFFAOYSA-N 0 0 307.340 3.354 20 10 DGCDRN CC1([NH+]2CCCC2)CCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139686599 1091642795 /nfs/dbraw/zinc/64/27/95/1091642795.db2.gz CFZJXWKUBDUXPE-UHFFFAOYSA-N 0 0 310.388 3.121 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2ccc(C)nc2)C1 ZINC001139932616 1091715331 /nfs/dbraw/zinc/71/53/31/1091715331.db2.gz FUQSDQRCYCSVSC-UHFFFAOYSA-N 0 0 321.424 3.449 20 10 DGCDRN Oc1ccc(CN2CCCc3cc(O)c(O)cc3C2)c(Cl)c1 ZINC001140083389 1091761819 /nfs/dbraw/zinc/76/18/19/1091761819.db2.gz NKOFYOPMGAQHJU-UHFFFAOYSA-N 0 0 319.788 3.405 20 10 DGCDRN C[C@H](NC(=O)/C=C\c1ccc(C=O)cc1)c1ccc(N(C)C)cc1 ZINC001296650490 1091775956 /nfs/dbraw/zinc/77/59/56/1091775956.db2.gz VRKCLXRPFVDCFU-ODDCISTRSA-N 0 0 322.408 3.456 20 10 DGCDRN Cc1cc(F)cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1N ZINC001296648787 1091776481 /nfs/dbraw/zinc/77/64/81/1091776481.db2.gz NUJVMSDNOACQAM-GFCCVEGCSA-N 0 0 315.392 3.273 20 10 DGCDRN O=[N+]([O-])c1ccc2nc(NCc3c(O)cccc3O)sc2c1 ZINC001307216562 1091788197 /nfs/dbraw/zinc/78/81/97/1091788197.db2.gz WVBJYXNINXMFSC-UHFFFAOYSA-N 0 0 317.326 3.228 20 10 DGCDRN Cc1ccc(C)c(CN2CCc3nc(Cl)ncc3C2)c1O ZINC001140182264 1091792955 /nfs/dbraw/zinc/79/29/55/1091792955.db2.gz NAQIUUKYYPDMCY-UHFFFAOYSA-N 0 0 303.793 3.011 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc2c([nH]1)CCCC2 ZINC001140198778 1091798242 /nfs/dbraw/zinc/79/82/42/1091798242.db2.gz SAAZZFYMAGPFLV-UHFFFAOYSA-N 0 0 319.401 3.015 20 10 DGCDRN CC(C)[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC001296998870 1091817922 /nfs/dbraw/zinc/81/79/22/1091817922.db2.gz NJAWRUZIGBTBNU-SFHVURJKSA-N 0 0 317.360 3.293 20 10 DGCDRN Oc1cc(Cl)ccc1CN1CCOC[C@H]1c1cccnc1 ZINC001140464607 1091877081 /nfs/dbraw/zinc/87/70/81/1091877081.db2.gz WUZCYXXMFAGTHS-HNNXBMFYSA-N 0 0 304.777 3.014 20 10 DGCDRN CCOCc1noc2c1CN(Cc1ccc(Cl)cc1O)CC2 ZINC001140466015 1091878794 /nfs/dbraw/zinc/87/87/94/1091878794.db2.gz YQSIDCQKXSKEDU-UHFFFAOYSA-N 0 0 322.792 3.128 20 10 DGCDRN C[C@H]1C(=O)Nc2ccccc2CN1Cc1cc(F)c(F)cc1O ZINC001207198873 1091885505 /nfs/dbraw/zinc/88/55/05/1091885505.db2.gz XIVNOUAILJXMTK-JTQLQIEISA-N 0 0 318.323 3.013 20 10 DGCDRN CN1CCN(Cc2cc(Cl)cc(F)c2[O-])Cc2cccnc21 ZINC001207260648 1091902859 /nfs/dbraw/zinc/90/28/59/1091902859.db2.gz JKBIWSVOENAFOY-UHFFFAOYSA-N 0 0 321.783 3.032 20 10 DGCDRN Cc1ccc(O)c(CN2CC[C@@H](N3CCCC3)C(F)(F)C2)c1 ZINC001140624083 1091936766 /nfs/dbraw/zinc/93/67/66/1091936766.db2.gz FNKGROWWBVADOQ-MRXNPFEDSA-N 0 0 310.388 3.006 20 10 DGCDRN COc1cc(Cl)cc(CNc2cnc3[nH]ccc3c2)c1O ZINC001207549387 1092017587 /nfs/dbraw/zinc/01/75/87/1092017587.db2.gz TZIICLGETTYFOR-UHFFFAOYSA-N 0 0 303.749 3.494 20 10 DGCDRN COC(=O)CC1CC[NH+](Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140922399 1092062541 /nfs/dbraw/zinc/06/25/41/1092062541.db2.gz PVRJAHFMSRZUHW-UHFFFAOYSA-N 0 0 324.852 3.181 20 10 DGCDRN CN(C)c1ccc(C[NH+]2CCC(n3ccnc3)CC2)c(Cl)c1 ZINC001140925205 1092064150 /nfs/dbraw/zinc/06/41/50/1092064150.db2.gz PMLRBUFPYFVMCB-UHFFFAOYSA-N 0 0 318.852 3.440 20 10 DGCDRN CN(C)c1ccc(CN2CC3(C2)CC(F)(F)CO3)c(Cl)c1 ZINC001140924710 1092064876 /nfs/dbraw/zinc/06/48/76/1092064876.db2.gz NLRLMRGEMYQKIT-UHFFFAOYSA-N 0 0 316.779 3.016 20 10 DGCDRN O=C(NC[C@H]1CCC[C@H]1c1ccccc1)c1cccc(O)c1O ZINC001298514747 1092067411 /nfs/dbraw/zinc/06/74/11/1092067411.db2.gz ZIURPFJMXNWWDH-CABCVRRESA-N 0 0 311.381 3.412 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1conc1C ZINC001298575559 1092074910 /nfs/dbraw/zinc/07/49/10/1092074910.db2.gz OPTODKRVWYMMJA-UHFFFAOYSA-N 0 0 315.398 3.382 20 10 DGCDRN Cc1ccc(CN2CC(Oc3ccc(F)c(F)c3)C2)c(O)c1 ZINC001140950063 1092077348 /nfs/dbraw/zinc/07/73/48/1092077348.db2.gz SVTWIQXOHFYXKF-UHFFFAOYSA-N 0 0 305.324 3.242 20 10 DGCDRN COc1cc(O)c(CN2Cc3cccc(F)c3C2)c(OC)c1 ZINC001141028394 1092111074 /nfs/dbraw/zinc/11/10/74/1092111074.db2.gz MXFAXSDUIBEHNA-UHFFFAOYSA-N 0 0 303.333 3.064 20 10 DGCDRN COC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccccc2O)s1 ZINC001207957120 1092158899 /nfs/dbraw/zinc/15/88/99/1092158899.db2.gz YOCJLQMROQRIOA-VIFPVBQESA-N 0 0 320.370 3.123 20 10 DGCDRN COc1cccc(CN2CCCc3cc(O)c(O)cc3C2)c1F ZINC001141223840 1092182374 /nfs/dbraw/zinc/18/23/74/1092182374.db2.gz RZPZWAOWSMORPY-UHFFFAOYSA-N 0 0 317.360 3.194 20 10 DGCDRN CCOc1ccc(Cl)c(N(CCO)c2ccc(N)cc2)c1 ZINC001212576840 1092300905 /nfs/dbraw/zinc/30/09/05/1092300905.db2.gz ZBHDLJHUEHUKBG-UHFFFAOYSA-N 0 0 306.793 3.451 20 10 DGCDRN CN(C)c1ccc(C[N@H+](C)C[C@H]2COC3(CCCCC3)O2)cc1 ZINC001208645182 1092440703 /nfs/dbraw/zinc/44/07/03/1092440703.db2.gz VCDCKPYAWDLBFI-SFHVURJKSA-N 0 0 318.461 3.260 20 10 DGCDRN C[N@H+](CCC(=O)c1ccccc1)Cc1cc(F)c(F)cc1[O-] ZINC001142524697 1092494900 /nfs/dbraw/zinc/49/49/00/1092494900.db2.gz HIVDIJRJDDLDQR-UHFFFAOYSA-N 0 0 305.324 3.375 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@H]1COCc1ccccc1 ZINC001142524974 1092494984 /nfs/dbraw/zinc/49/49/84/1092494984.db2.gz RMEMAAMKVFUJAH-HNNXBMFYSA-N 0 0 319.351 3.462 20 10 DGCDRN Nc1ccc(NC(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1 ZINC001142680435 1092527121 /nfs/dbraw/zinc/52/71/21/1092527121.db2.gz CLHMMHFQCMLFFZ-UHFFFAOYSA-N 0 0 310.357 3.261 20 10 DGCDRN Cc1sccc1CC(=O)NCc1ccc2cccnc2c1O ZINC001142728066 1092538901 /nfs/dbraw/zinc/53/89/01/1092538901.db2.gz LWNVTTNITIGWJG-UHFFFAOYSA-N 0 0 312.394 3.169 20 10 DGCDRN CCc1ccc(C(=O)NCc2ccc3cccnc3c2O)s1 ZINC001142728178 1092539314 /nfs/dbraw/zinc/53/93/14/1092539314.db2.gz NGBVCSHAHHLURP-UHFFFAOYSA-N 0 0 312.394 3.494 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)c1ccc2cc[nH]c2c1 ZINC001142728247 1092539797 /nfs/dbraw/zinc/53/97/97/1092539797.db2.gz PDPIXXAVBZUBCG-UHFFFAOYSA-N 0 0 317.348 3.352 20 10 DGCDRN CCOC(=O)[C@@H]1CCCN1Cc1cccc(C(C)(C)C)c1O ZINC001143112525 1092617123 /nfs/dbraw/zinc/61/71/23/1092617123.db2.gz VLUNEYLZQDVDTH-HNNXBMFYSA-N 0 0 305.418 3.217 20 10 DGCDRN COc1cccc(CNC(=O)[C@@H]2Cc3ccc(Cl)cc32)c1O ZINC001150543102 1092791721 /nfs/dbraw/zinc/79/17/21/1092791721.db2.gz IKVYTSKKRSWROR-CQSZACIVSA-N 0 0 317.772 3.010 20 10 DGCDRN CCN(CC(=O)OC)Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001209520170 1092808026 /nfs/dbraw/zinc/80/80/26/1092808026.db2.gz PNVVMLZQAUVFSC-UHFFFAOYSA-N 0 0 300.402 3.089 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2cc3ccccc3oc2=O)c(O)c1 ZINC001150959292 1092845961 /nfs/dbraw/zinc/84/59/61/1092845961.db2.gz CMKPIWFIKLXWJB-UHFFFAOYSA-N 0 0 323.348 3.045 20 10 DGCDRN CCCOc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001151033888 1092857311 /nfs/dbraw/zinc/85/73/11/1092857311.db2.gz WHRQPYWQPQJJBF-UHFFFAOYSA-N 0 0 301.342 3.068 20 10 DGCDRN COC(=O)c1ccc(Nc2ccc3c(c2)OCCN3)c(OC)c1 ZINC001209766756 1092910903 /nfs/dbraw/zinc/91/09/03/1092910903.db2.gz VMCCCUPGKFTRID-UHFFFAOYSA-N 0 0 314.341 3.030 20 10 DGCDRN Nc1c(F)c(F)c(Nc2ccc3c(c2)OCCN3)c(F)c1F ZINC001209767843 1092910919 /nfs/dbraw/zinc/91/09/19/1092910919.db2.gz PVJZMKKRDKJCLU-UHFFFAOYSA-N 0 0 313.254 3.373 20 10 DGCDRN Cc1cc(C(=O)N(C)C)ccc1Nc1ccc2c(c1)OCCN2 ZINC001209767513 1092911373 /nfs/dbraw/zinc/91/13/73/1092911373.db2.gz LNXABJJCIOUVBX-UHFFFAOYSA-N 0 0 311.385 3.245 20 10 DGCDRN CN(C)c1ccccc1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001209779944 1092919149 /nfs/dbraw/zinc/91/91/49/1092919149.db2.gz UBUHIHFHHJHACR-UHFFFAOYSA-N 0 0 312.413 3.112 20 10 DGCDRN CC(C)Oc1c(F)cc(N(CCO)c2ccc(N)cc2)cc1F ZINC001213421686 1093583533 /nfs/dbraw/zinc/58/35/33/1093583533.db2.gz HUJVESADNWKOGD-UHFFFAOYSA-N 0 0 322.355 3.465 20 10 DGCDRN Oc1ccc(OC(F)(F)F)cc1Nc1c(F)cncc1F ZINC001214372739 1093763013 /nfs/dbraw/zinc/76/30/13/1093763013.db2.gz AVEPXLCACILKRI-UHFFFAOYSA-N 0 0 306.190 3.130 20 10 DGCDRN COc1ccc(OC)c(NC(=O)NCc2cc(C)ccc2O)c1 ZINC001214453467 1093778519 /nfs/dbraw/zinc/77/85/19/1093778519.db2.gz OVLKOSWTSQHJGM-UHFFFAOYSA-N 0 0 316.357 3.040 20 10 DGCDRN Oc1cccc(-c2nc(-c3ccnc4ccccc43)no2)c1O ZINC001215145915 1093926865 /nfs/dbraw/zinc/92/68/65/1093926865.db2.gz QVTJJGFSMPHNRE-UHFFFAOYSA-N 0 0 305.293 3.363 20 10 DGCDRN Oc1cccc(-c2nc(-c3cccc(C(F)(F)F)n3)no2)c1O ZINC001215145844 1093927093 /nfs/dbraw/zinc/92/70/93/1093927093.db2.gz MKAKSLMIPUTRII-UHFFFAOYSA-N 0 0 323.230 3.229 20 10 DGCDRN Cc1c(F)cc(-c2noc(-c3ccc(O)c(O)c3)n2)cc1F ZINC001215304121 1093955305 /nfs/dbraw/zinc/95/53/05/1093955305.db2.gz FPGSMTOWBGQWMY-UHFFFAOYSA-N 0 0 304.252 3.401 20 10 DGCDRN COc1ccc(-c2noc(-c3ccc(O)c(O)c3)n2)c(Cl)c1 ZINC001215304619 1093955951 /nfs/dbraw/zinc/95/59/51/1093955951.db2.gz VYOYHCIXQBFTIX-UHFFFAOYSA-N 0 0 318.716 3.477 20 10 DGCDRN COc1cc(-c2noc(-c3ccc(O)c(O)c3)n2)ccc1Cl ZINC001215304555 1093956104 /nfs/dbraw/zinc/95/61/04/1093956104.db2.gz RTHABCFWLBVSFX-UHFFFAOYSA-N 0 0 318.716 3.477 20 10 DGCDRN Oc1ccc(-c2nc(-c3cccc(-n4cccn4)c3)no2)cc1O ZINC001215304687 1093956140 /nfs/dbraw/zinc/95/61/40/1093956140.db2.gz YGIWNRSXXMQVIB-UHFFFAOYSA-N 0 0 320.308 3.001 20 10 DGCDRN Cc1cc(F)c(-c2noc(-c3ccc(O)c(O)c3O)n2)cc1F ZINC001215325288 1093960885 /nfs/dbraw/zinc/96/08/85/1093960885.db2.gz KHKRZVXNXXNDBB-UHFFFAOYSA-N 0 0 320.251 3.107 20 10 DGCDRN Cc1ccc(N(CCO)c2ccc(N)cc2)c(OC(C)C)c1 ZINC001215878609 1094078441 /nfs/dbraw/zinc/07/84/41/1094078441.db2.gz CLTQRPXBAJAEHH-UHFFFAOYSA-N 0 0 300.402 3.495 20 10 DGCDRN [O-]c1c(C[NH2+][C@@H]2CCCOCC2)cc(Cl)c2cccnc12 ZINC001170789540 1094387861 /nfs/dbraw/zinc/38/78/61/1094387861.db2.gz GOCSMPUJNGIOCH-GFCCVEGCSA-N 0 0 306.793 3.253 20 10 DGCDRN Nc1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC001120268422 1094398449 /nfs/dbraw/zinc/39/84/49/1094398449.db2.gz DTWDCULZNIZZBW-SFHVURJKSA-N 0 0 312.413 3.156 20 10 DGCDRN Cc1ccc(C(C)(C)CNC(=O)NCc2ccc(N)cc2)cc1 ZINC001120589709 1094464282 /nfs/dbraw/zinc/46/42/82/1094464282.db2.gz IAZLUPWWZNSZRI-UHFFFAOYSA-N 0 0 311.429 3.354 20 10 DGCDRN Nc1ccc(CNC(=O)N2CCC(CC(F)(F)F)CC2)cc1 ZINC001120677645 1094487976 /nfs/dbraw/zinc/48/79/76/1094487976.db2.gz VCDKEHWATJWRNE-UHFFFAOYSA-N 0 0 315.339 3.143 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccncc2)cc1 ZINC001120900401 1094550794 /nfs/dbraw/zinc/55/07/94/1094550794.db2.gz WNOBLBUPEQKKKK-RBUKOAKNSA-N 0 0 323.440 3.348 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2)c(N)c1Cl ZINC001135643555 1094615762 /nfs/dbraw/zinc/61/57/62/1094615762.db2.gz VNSSGKSQJKSZHA-UHFFFAOYSA-N 0 0 317.820 3.227 20 10 DGCDRN Nc1ccc(CNC(=O)N2CCC[C@H]2Cc2ccccc2)cc1 ZINC001336291115 1094617799 /nfs/dbraw/zinc/61/77/99/1094617799.db2.gz ZHCGRDZQWLOAMR-SFHVURJKSA-N 0 0 309.413 3.186 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC001336871879 1094768080 /nfs/dbraw/zinc/76/80/80/1094768080.db2.gz DDEHFUSZJNNQRE-XHDPSFHLSA-N 0 0 311.784 3.234 20 10 DGCDRN C[C@H](CC(F)(F)F)NC(=O)NCc1cccc(Cl)c1O ZINC001121916111 1094825296 /nfs/dbraw/zinc/82/52/96/1094825296.db2.gz PXWAOIASEOYIMM-SSDOTTSWSA-N 0 0 310.703 3.186 20 10 DGCDRN Cc1cc(OC(F)F)ccc1NC(=O)Cc1ccc(N)cc1 ZINC001218856666 1094888275 /nfs/dbraw/zinc/88/82/75/1094888275.db2.gz SWMWIVSTTUIRNA-UHFFFAOYSA-N 0 0 306.312 3.360 20 10 DGCDRN C[C@@H](NC(=O)Cc1ccc(N)cc1)c1cccc(Cl)c1F ZINC001219689534 1095006298 /nfs/dbraw/zinc/00/62/98/1095006298.db2.gz XAADYKAUFPZIKK-SNVBAGLBSA-N 0 0 306.768 3.481 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)Cc2ccn(C)n2)cc1 ZINC001337660158 1095051757 /nfs/dbraw/zinc/05/17/57/1095051757.db2.gz DZDXSERREYDQDM-UHFFFAOYSA-N 0 0 322.412 3.100 20 10 DGCDRN CC[C@H](NC(=O)NCc1ccccc1O)c1ccc(F)cc1 ZINC001337707462 1095066784 /nfs/dbraw/zinc/06/67/84/1095066784.db2.gz KGQLFYNSUKGXQW-HNNXBMFYSA-N 0 0 302.349 3.482 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CCCc1nccs1 ZINC001136743370 1095142139 /nfs/dbraw/zinc/14/21/39/1095142139.db2.gz PQVGPVUDQXEKLX-UHFFFAOYSA-N 0 0 317.458 3.157 20 10 DGCDRN CCOc1cccc(C[N@@H+]2CCCC[C@H]2CCC(=O)[O-])c1O ZINC000316286688 1095166116 /nfs/dbraw/zinc/16/61/16/1095166116.db2.gz KXYHZIGQTHBQLY-AWEZNQCLSA-N 0 0 307.390 3.010 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1[C@H](OCC)[C@H]1C ZINC001626159941 1095199336 /nfs/dbraw/zinc/19/93/36/1095199336.db2.gz DBWJOTPNSMGGSQ-IAOVAPTHSA-N 0 0 305.418 3.192 20 10 DGCDRN CC(C)[C@]1(C)C[C@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001221545518 1095299019 /nfs/dbraw/zinc/29/90/19/1095299019.db2.gz LNCYRXIKHNVPIW-WBVHZDCISA-N 0 0 307.413 3.126 20 10 DGCDRN Nc1ccc(CNC(=O)NCC[C@@H]2CCc3ccccc32)cc1 ZINC001338610090 1095344981 /nfs/dbraw/zinc/34/49/81/1095344981.db2.gz NJHINSYZWFHVPJ-INIZCTEOSA-N 0 0 309.413 3.188 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCC[C@@H]1CCCS1 ZINC001221894086 1095383663 /nfs/dbraw/zinc/38/36/63/1095383663.db2.gz MIEUBMJSXXJQJS-INIZCTEOSA-N 0 0 321.490 3.146 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)C(F)(F)F)c1 ZINC001123669069 1095389562 /nfs/dbraw/zinc/38/95/62/1095389562.db2.gz KOKMMBYMVXRURH-MRVPVSSYSA-N 0 0 305.296 3.167 20 10 DGCDRN O=C(NCc1ccc(F)cc1)NCc1cc(Cl)ccc1O ZINC001222100856 1095434197 /nfs/dbraw/zinc/43/41/97/1095434197.db2.gz WRMOSMPOPSVXJN-UHFFFAOYSA-N 0 0 308.740 3.184 20 10 DGCDRN O=C(C[C@@H]1CCCc2ccccc21)NCc1cccc(O)c1O ZINC001123977600 1095502866 /nfs/dbraw/zinc/50/28/66/1095502866.db2.gz JIEKTOUEBHAOOG-AWEZNQCLSA-N 0 0 311.381 3.224 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnoc1C1CC1 ZINC001116330826 1095519510 /nfs/dbraw/zinc/51/95/10/1095519510.db2.gz KRBCPWYVEPKIQY-UHFFFAOYSA-N 0 0 313.401 3.280 20 10 DGCDRN CC(C)C[C@H](O)C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001144174924 1095542659 /nfs/dbraw/zinc/54/26/59/1095542659.db2.gz BKCWARYBJHAGCO-SFHVURJKSA-N 0 0 312.413 3.209 20 10 DGCDRN C[C@@]1(CF)CC[N@H+](Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144298369 1095591704 /nfs/dbraw/zinc/59/17/04/1095591704.db2.gz CJVFSKBONBBWLU-ZDUSSCGKSA-N 0 0 320.177 3.475 20 10 DGCDRN [O-]c1cc(F)c(Br)cc1C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001144308237 1095602346 /nfs/dbraw/zinc/60/23/46/1095602346.db2.gz UHQJUAJINHDNTO-PELKAZGASA-N 0 0 300.171 3.278 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)[C@@H](C)CC(C)C)CC2)cc1 ZINC001116604020 1095614249 /nfs/dbraw/zinc/61/42/49/1095614249.db2.gz LPVLXBBHTQLXNO-INIZCTEOSA-N 0 0 318.461 3.416 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CC1CCC(O)CC1 ZINC001144346114 1095617500 /nfs/dbraw/zinc/61/75/00/1095617500.db2.gz DMXGWYHPXREORB-UHFFFAOYSA-N 0 0 318.461 3.042 20 10 DGCDRN COc1ccccc1CC(=O)Nc1c2nonc2ccc1Cl ZINC001339438540 1095624565 /nfs/dbraw/zinc/62/45/65/1095624565.db2.gz QBPHZPDVWDBUDX-UHFFFAOYSA-N 0 0 317.732 3.066 20 10 DGCDRN Cc1cc(CN2CC(OCc3ccccc3)C2)ccc1N(C)C ZINC001139670594 1095669119 /nfs/dbraw/zinc/66/91/19/1095669119.db2.gz DWULZNYXHWQTEB-UHFFFAOYSA-N 0 0 310.441 3.462 20 10 DGCDRN CC(C)(CNC(=O)NCc1cccc(Cl)c1O)C(F)(F)F ZINC001339784626 1095729436 /nfs/dbraw/zinc/72/94/36/1095729436.db2.gz LRNTXJHZGYHPAU-UHFFFAOYSA-N 0 0 324.730 3.433 20 10 DGCDRN CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](Cc2c([O-])cccc2F)C1 ZINC001137837392 1095756976 /nfs/dbraw/zinc/75/69/76/1095756976.db2.gz FCTVELNUKQYVRU-GFCCVEGCSA-N 0 0 309.381 3.085 20 10 DGCDRN Oc1cccc(F)c1CN1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001137840394 1095758823 /nfs/dbraw/zinc/75/88/23/1095758823.db2.gz ZGADRCFMFABUTF-QGZVFWFLSA-N 0 0 323.314 3.383 20 10 DGCDRN [O-]c1cccc(F)c1C[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC001137841838 1095762221 /nfs/dbraw/zinc/76/22/21/1095762221.db2.gz XFLGJJBNBAWMTL-GJZGRUSLSA-N 0 0 312.388 3.100 20 10 DGCDRN CCN(CC(=O)OC)Cc1cc(C)n(-c2ccccc2)c1C ZINC001137859245 1095769207 /nfs/dbraw/zinc/76/92/07/1095769207.db2.gz PQIYESDGONPIAR-UHFFFAOYSA-N 0 0 300.402 3.089 20 10 DGCDRN Cc1cc(CN2CCc3ncncc3C2)c(C)n1-c1ccccc1 ZINC001137858161 1095770123 /nfs/dbraw/zinc/77/01/23/1095770123.db2.gz YOURMVCBWPADOT-UHFFFAOYSA-N 0 0 318.424 3.442 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CCC[C@](C)(F)C2)c([N+](=O)[O-])c1 ZINC001117757344 1095836903 /nfs/dbraw/zinc/83/69/03/1095836903.db2.gz SPKNSVLSPPXQCT-WRLNGNIRSA-N 0 0 322.336 3.109 20 10 DGCDRN COC(=O)/C=C/c1ccc(N2CCC[C@@](C)(F)C2)c([N+](=O)[O-])c1 ZINC001117757338 1095837887 /nfs/dbraw/zinc/83/78/87/1095837887.db2.gz SPKNSVLSPPXQCT-BIENSFFJSA-N 0 0 322.336 3.109 20 10 DGCDRN CC(C)c1noc([C@@H]2CCC[N@H+](Cc3cccc(F)c3[O-])C2)n1 ZINC001138128321 1095901675 /nfs/dbraw/zinc/90/16/75/1095901675.db2.gz CSNXHZLNIWROJC-CYBMUJFWSA-N 0 0 319.380 3.417 20 10 DGCDRN C[C@H](Sc1ccccn1)C(=O)NCc1cc(Cl)ccc1O ZINC001146232386 1096008322 /nfs/dbraw/zinc/00/83/22/1096008322.db2.gz KLTPPHJUSAZHIH-JTQLQIEISA-N 0 0 322.817 3.238 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](CO)CC(C)C ZINC001146259677 1096016754 /nfs/dbraw/zinc/01/67/54/1096016754.db2.gz JJMYRKTUNQGAEQ-AWEZNQCLSA-N 0 0 320.458 3.292 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001340779116 1096031681 /nfs/dbraw/zinc/03/16/81/1096031681.db2.gz MPMWNUFRKWHJND-GHMZBOCLSA-N 0 0 306.435 3.214 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCc2ccc3c(c2)CCC3)c1 ZINC001118799191 1096078844 /nfs/dbraw/zinc/07/88/44/1096078844.db2.gz NKCWTLNJSAGBCU-UHFFFAOYSA-N 0 0 310.397 3.189 20 10 DGCDRN COc1ccc(N2CCC3(CC2)N=C(C2CCCC2)NO3)cc1 ZINC001341044429 1096104484 /nfs/dbraw/zinc/10/44/84/1096104484.db2.gz CQLCTFNGQAALSX-UHFFFAOYSA-N 0 0 315.417 3.115 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)cc1 ZINC001147114084 1096166309 /nfs/dbraw/zinc/16/63/09/1096166309.db2.gz VYNNEUJAHYSWCP-GOEBONIOSA-N 0 0 322.368 3.210 20 10 DGCDRN COc1cc(C)cc(CNc2ccc(OC3COC3)cc2)c1O ZINC001119447781 1096203320 /nfs/dbraw/zinc/20/33/20/1096203320.db2.gz ASPJSJXTKCPYCA-UHFFFAOYSA-N 0 0 315.369 3.099 20 10 DGCDRN CCN(CCSC)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001119563270 1096226124 /nfs/dbraw/zinc/22/61/24/1096226124.db2.gz BVLDNFBQWAHVLZ-UHFFFAOYSA-N 0 0 311.428 3.138 20 10 DGCDRN CCCC[C@H](CC)COCCCNC(=O)c1cccc(O)c1O ZINC001148220056 1096328264 /nfs/dbraw/zinc/32/82/64/1096328264.db2.gz NODXMKWNPIVUJZ-AWEZNQCLSA-N 0 0 323.433 3.451 20 10 DGCDRN Cc1cc(C)cc(C[C@@H](C)NC(=O)c2ccc(C)c(O)c2O)c1 ZINC001148218194 1096328295 /nfs/dbraw/zinc/32/82/95/1096328295.db2.gz VUHHOOUWLDINQO-CQSZACIVSA-N 0 0 313.397 3.384 20 10 DGCDRN Cc1cc(NC(=O)c2cccc(O)c2O)c2ccsc2n1 ZINC001148212204 1096328582 /nfs/dbraw/zinc/32/85/82/1096328582.db2.gz QTLXWQWFTYMKFH-UHFFFAOYSA-N 0 0 300.339 3.268 20 10 DGCDRN Cc1ccccc1CC(C)(C)CNC(=O)c1cccc(O)c1O ZINC001148224507 1096330152 /nfs/dbraw/zinc/33/01/52/1096330152.db2.gz NWCXVMSWTNYICG-UHFFFAOYSA-N 0 0 313.397 3.405 20 10 DGCDRN Cc1ccc(CNC(=O)c2cc(O)c(O)c(O)c2)c2ccccc12 ZINC001148589796 1096408600 /nfs/dbraw/zinc/40/86/00/1096408600.db2.gz LINWMRZTZJYGHW-UHFFFAOYSA-N 0 0 323.348 3.195 20 10 DGCDRN Oc1cc2ccccc2cc1CNc1ncnc2c1COCC2 ZINC001171399547 1096660025 /nfs/dbraw/zinc/66/00/25/1096660025.db2.gz KKLCPWVGARBKHA-UHFFFAOYSA-N 0 0 307.353 3.020 20 10 DGCDRN C/C=C/[C@H](Oc1c(O)c(O)c(O)c(O)c1O)C1CCCCC1 ZINC001226469480 1096696956 /nfs/dbraw/zinc/69/69/56/1096696956.db2.gz UQDNCMYXBUAOEY-LFKJVQOCSA-N 0 0 310.346 3.118 20 10 DGCDRN O=C1C=CC(=NNc2ccccn2)C(O[C@H]2CCCOC2=O)=C1 ZINC001227488358 1096940211 /nfs/dbraw/zinc/94/02/11/1096940211.db2.gz GQITXRRIKMESFX-HVCBDAARSA-N 0 0 313.313 3.287 20 10 DGCDRN COc1ccc(N(C)Cc2nc(Cc3ccccc3)no2)cc1 ZINC001171745976 1096960864 /nfs/dbraw/zinc/96/08/64/1096960864.db2.gz LGQWGDDFMPOTPM-UHFFFAOYSA-N 0 0 309.369 3.305 20 10 DGCDRN CC(C)OC(=O)N1CCC(Oc2ccc(N(C)C)cc2)CC1 ZINC001227939222 1097017546 /nfs/dbraw/zinc/01/75/46/1097017546.db2.gz OXKKTMHBZCZAEF-UHFFFAOYSA-N 0 0 306.406 3.141 20 10 DGCDRN CCOC(=O)[C@@H](C)[C@@H](Oc1ccc(N(C)C)cc1)C(F)(F)F ZINC001227940707 1097017555 /nfs/dbraw/zinc/01/75/55/1097017555.db2.gz NSQBPSZWHXXUDQ-GXFFZTMASA-N 0 0 319.323 3.262 20 10 DGCDRN CC[C@@H](COc1cccc2c1C(=O)c1ccccc1C2=O)OC ZINC001228078923 1097046929 /nfs/dbraw/zinc/04/69/29/1097046929.db2.gz KJPOIEFTQJJARV-LBPRGKRZSA-N 0 0 310.349 3.266 20 10 DGCDRN CC(=O)N1CCN(c2ccc(O[C@H]3CCCC[C@@H]3C)cc2)CC1 ZINC001228200531 1097072242 /nfs/dbraw/zinc/07/22/42/1097072242.db2.gz HHVUUUMXLFWCDC-KXBFYZLASA-N 0 0 316.445 3.313 20 10 DGCDRN CCCC[C@@H](C)Oc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC001228204223 1097072780 /nfs/dbraw/zinc/07/27/80/1097072780.db2.gz ISXNAANTUWIILT-OAHLLOKOSA-N 0 0 304.434 3.313 20 10 DGCDRN CC(=O)N1CCN(c2ccc(O[C@@H](C)C3CCCC3)cc2)CC1 ZINC001228202865 1097073167 /nfs/dbraw/zinc/07/31/67/1097073167.db2.gz WHOZBZCMRZQDRV-HNNXBMFYSA-N 0 0 316.445 3.313 20 10 DGCDRN CC[C@@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@@H]1C ZINC001228576609 1097144913 /nfs/dbraw/zinc/14/49/13/1097144913.db2.gz QNEGNJHMPMIDJP-NVXWUHKLSA-N 0 0 313.445 3.393 20 10 DGCDRN COc1ccc(-c2noc(-c3nnsc3C3CC3)n2)c(C)c1 ZINC001212679517 1097227450 /nfs/dbraw/zinc/22/74/50/1097227450.db2.gz HTHGRRNVUONRRQ-UHFFFAOYSA-N 0 0 314.370 3.450 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000096314355 1097296709 /nfs/dbraw/zinc/29/67/09/1097296709.db2.gz PDYRGSOSJTVCHP-UHFFFAOYSA-N 0 0 306.406 3.142 20 10 DGCDRN Cc1ccc(CCNC(=O)NCc2c(O)cccc2F)cc1C ZINC001230788080 1097586374 /nfs/dbraw/zinc/58/63/74/1097586374.db2.gz GZLIYANWBIBAMT-UHFFFAOYSA-N 0 0 316.376 3.190 20 10 DGCDRN Cn1cc(Nc2ccccc2C(=O)c2ccc(F)cc2)ccc1=O ZINC001174356278 1097694230 /nfs/dbraw/zinc/69/42/30/1097694230.db2.gz BOQXBMHRFUVDJP-UHFFFAOYSA-N 0 0 322.339 3.499 20 10 DGCDRN O=C1c2ccccc2C(=O)c2cc(OC3CCOCC3)ccc21 ZINC001231265613 1097708491 /nfs/dbraw/zinc/70/84/91/1097708491.db2.gz HHAIMTDOXBQPML-UHFFFAOYSA-N 0 0 308.333 3.020 20 10 DGCDRN O=C([O-])c1ccc(C[N@@H+]2CCc3ccc(Cl)cc3C2)c(O)c1 ZINC001231447268 1097752497 /nfs/dbraw/zinc/75/24/97/1097752497.db2.gz QTHGORJORNMYCV-UHFFFAOYSA-N 0 0 317.772 3.302 20 10 DGCDRN CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(C(=O)[O-])cc1O ZINC001231455019 1097753102 /nfs/dbraw/zinc/75/31/02/1097753102.db2.gz LRAKGNVSSSGXQY-UHFFFAOYSA-N 0 0 303.333 3.252 20 10 DGCDRN COc1ccc(Br)c(CN2CCC[C@H](F)C2)c1O ZINC001231553018 1097778865 /nfs/dbraw/zinc/77/88/65/1097778865.db2.gz OWHNKZAUUYSLSP-VIFPVBQESA-N 0 0 318.186 3.097 20 10 DGCDRN O=C([O-])c1ccc(O)c(C[NH+]2CCC3(CC[C@@H](F)C3)CC2)c1 ZINC001231565200 1097780201 /nfs/dbraw/zinc/78/02/01/1097780201.db2.gz AQTGJHNSNQTUHS-CQSZACIVSA-N 0 0 307.365 3.195 20 10 DGCDRN O=C([O-])c1ccc(O)c(C[NH+]2CCC3(CC[C@H](F)C3)CC2)c1 ZINC001231565199 1097780214 /nfs/dbraw/zinc/78/02/14/1097780214.db2.gz AQTGJHNSNQTUHS-AWEZNQCLSA-N 0 0 307.365 3.195 20 10 DGCDRN O=C([O-])c1ccc(O)c(C[N@@H+]2CCC[C@H]2c2cccs2)c1 ZINC001231564803 1097780346 /nfs/dbraw/zinc/78/03/46/1097780346.db2.gz YVYZRVHXWQGKON-ZDUSSCGKSA-N 0 0 303.383 3.489 20 10 DGCDRN Oc1cccc2c1CN(Cc1nc3c(s1)CCCC3)CC2 ZINC001231582958 1097784676 /nfs/dbraw/zinc/78/46/76/1097784676.db2.gz FDPMLCJHHKYMRM-UHFFFAOYSA-N 0 0 300.427 3.286 20 10 DGCDRN Oc1ccc2ccccc2c1CN1CC2(C1)CC(F)(F)CO2 ZINC001231591098 1097787274 /nfs/dbraw/zinc/78/72/74/1097787274.db2.gz SVAJEPCHILDMBW-UHFFFAOYSA-N 0 0 305.324 3.155 20 10 DGCDRN Cc1cc(C)c(CN2[C@H](CO)CCC[C@H]2C(F)(F)F)c(O)c1 ZINC001231842575 1097860325 /nfs/dbraw/zinc/86/03/25/1097860325.db2.gz OOEMQFVAKCCYQF-WFASDCNBSA-N 0 0 317.351 3.287 20 10 DGCDRN Cc1cc(C)c(CN2CC[C@@H](N3CCCC3)C(F)(F)C2)c(O)c1 ZINC001231847740 1097862651 /nfs/dbraw/zinc/86/26/51/1097862651.db2.gz CMWQAZIJLLQOHT-QGZVFWFLSA-N 0 0 324.415 3.314 20 10 DGCDRN COc1cc(N(C)C)ccc1CN1CC(F)(F)C[C@]1(C)CF ZINC001231849785 1097864036 /nfs/dbraw/zinc/86/40/36/1097864036.db2.gz ZEXKAHJPVROKOF-OAHLLOKOSA-N 0 0 316.367 3.330 20 10 DGCDRN Oc1c(CN2CC3(C2)CC(F)(F)CO3)ccc2ccccc21 ZINC001231881556 1097877750 /nfs/dbraw/zinc/87/77/50/1097877750.db2.gz WOHLLZPASZSVKQ-UHFFFAOYSA-N 0 0 305.324 3.155 20 10 DGCDRN COC(=O)CC[N@H+](Cc1cccc(Cl)c1[O-])C1CCCC1 ZINC001231911401 1097889841 /nfs/dbraw/zinc/88/98/41/1097889841.db2.gz DICIIZDJZPCSTK-UHFFFAOYSA-N 0 0 311.809 3.353 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC(Oc2ccccn2)CC1 ZINC001231911615 1097891103 /nfs/dbraw/zinc/89/11/03/1097891103.db2.gz ITDYJGWDDTWHTQ-UHFFFAOYSA-N 0 0 318.804 3.484 20 10 DGCDRN CCC(=O)N(CC)C1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC001231913808 1097892551 /nfs/dbraw/zinc/89/25/51/1097892551.db2.gz RRWMIUUMIVPTFD-UHFFFAOYSA-N 0 0 324.852 3.269 20 10 DGCDRN CCN(CC)c1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC001175030701 1097923622 /nfs/dbraw/zinc/92/36/22/1097923622.db2.gz RTPNODMQYNVJKX-UHFFFAOYSA-N 0 0 310.397 3.394 20 10 DGCDRN CCOc1ccc(N(CCO)c2ccc(N)cc2)c(F)c1F ZINC001175151841 1097947274 /nfs/dbraw/zinc/94/72/74/1097947274.db2.gz CGPKCSMVBRMTAO-UHFFFAOYSA-N 0 0 308.328 3.076 20 10 DGCDRN COc1cc(O)c(CN2CCc3c(O)cccc3C2)cc1Cl ZINC001232266607 1097986618 /nfs/dbraw/zinc/98/66/18/1097986618.db2.gz PYAPTVSQCXCXBP-UHFFFAOYSA-N 0 0 319.788 3.318 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(C2CC2)cc1F ZINC001175322542 1098012879 /nfs/dbraw/zinc/01/28/79/1098012879.db2.gz SQXWFFQYIAAFHF-UHFFFAOYSA-N 0 0 301.317 3.296 20 10 DGCDRN CCOc1ccc(N(CC(=O)N(C)CC2CC2)CC2CC2)cc1 ZINC001175371792 1098027682 /nfs/dbraw/zinc/02/76/82/1098027682.db2.gz MLKGKQZDPNASFE-UHFFFAOYSA-N 0 0 316.445 3.170 20 10 DGCDRN Cc1nc(N)ncc1Nc1cccc2c1C(=O)c1ccccc1-2 ZINC001175670626 1098132785 /nfs/dbraw/zinc/13/27/85/1098132785.db2.gz HPDCYYCBQXLCKO-UHFFFAOYSA-N 0 0 302.337 3.322 20 10 DGCDRN CN(C)c1ccc(CN2CCC[C@H](F)C(F)(F)C2)c(O)c1 ZINC001232833497 1098147723 /nfs/dbraw/zinc/14/77/23/1098147723.db2.gz AFEHQOZICNWLHB-AWEZNQCLSA-N 0 0 302.340 3.027 20 10 DGCDRN CN(C)c1ccc(C[N@@H+]2CCc3c(F)cccc3C2)c(O)c1 ZINC001232841155 1098150722 /nfs/dbraw/zinc/15/07/22/1098150722.db2.gz VMAYWDURDPECFV-UHFFFAOYSA-N 0 0 300.377 3.156 20 10 DGCDRN CN(C)c1ccc(C[N@H+](C)Cc2cc([O-])c(F)c(F)c2)cc1 ZINC001232974833 1098189343 /nfs/dbraw/zinc/18/93/43/1098189343.db2.gz BVPQILRDVQSRQK-UHFFFAOYSA-N 0 0 306.356 3.368 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC[C@@H]2COCc2ccccc2)ccc(F)c1F ZINC001233077426 1098221187 /nfs/dbraw/zinc/22/11/87/1098221187.db2.gz NFQMQHHYACELAJ-OAHLLOKOSA-N 0 0 319.351 3.462 20 10 DGCDRN C[C@@H]1C(=O)CC[N@H+](Cc2ccc(F)c(F)c2[O-])C12CCCC2 ZINC001233079807 1098221230 /nfs/dbraw/zinc/22/12/30/1098221230.db2.gz LDAHLKGWCNEYAJ-LLVKDONJSA-N 0 0 309.356 3.394 20 10 DGCDRN CCCOC1CN(Cc2cc(Br)cc(C)c2O)C1 ZINC001233110885 1098228813 /nfs/dbraw/zinc/22/88/13/1098228813.db2.gz VFWCMCOTJKSLQJ-UHFFFAOYSA-N 0 0 314.223 3.074 20 10 DGCDRN Cc1cc(Br)cc(CN2CC3(CSC3)C2)c1O ZINC001233111172 1098228336 /nfs/dbraw/zinc/22/83/36/1098228336.db2.gz JOOUUBJLDYQOLX-UHFFFAOYSA-N 0 0 314.248 3.012 20 10 DGCDRN Cc1cc(Br)cc(CN2CC(F)(C3CC3)C2)c1O ZINC001233106751 1098228644 /nfs/dbraw/zinc/22/86/44/1098228644.db2.gz MOFZSNLZXWHAOG-UHFFFAOYSA-N 0 0 314.198 3.397 20 10 DGCDRN CCOc1ccc(N2CCN(Cc3cc(C)ns3)CC2)cc1 ZINC001233313237 1098281965 /nfs/dbraw/zinc/28/19/65/1098281965.db2.gz MFRCHCNYXBVTOM-UHFFFAOYSA-N 0 0 317.458 3.172 20 10 DGCDRN COc1ccc(N2CCN(Cc3ccc(Cl)o3)CC2)cc1 ZINC001233313601 1098284367 /nfs/dbraw/zinc/28/43/67/1098284367.db2.gz DAYRJPMNOFVVJO-UHFFFAOYSA-N 0 0 306.793 3.264 20 10 DGCDRN Cc1ccc(N2CCN(Cc3c(O)ccc(F)c3F)CC2)cc1 ZINC001233331599 1098292399 /nfs/dbraw/zinc/29/23/99/1098292399.db2.gz CSTBCLSSVYOTPU-UHFFFAOYSA-N 0 0 318.367 3.301 20 10 DGCDRN Cc1ccccc1N1CCN(Cc2c(O)ccc(F)c2F)CC1 ZINC001233331982 1098292489 /nfs/dbraw/zinc/29/24/89/1098292489.db2.gz SKHTXBKNZACIGP-UHFFFAOYSA-N 0 0 318.367 3.301 20 10 DGCDRN COc1cccc(CC[N@H+](C)Cc2c([O-])ccc(F)c2F)c1 ZINC001233335519 1098292872 /nfs/dbraw/zinc/29/28/72/1098292872.db2.gz ZDRKARDGCFGITH-UHFFFAOYSA-N 0 0 307.340 3.354 20 10 DGCDRN C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233416162 1098322582 /nfs/dbraw/zinc/32/25/82/1098322582.db2.gz YHRYCXGUPVRNOZ-MNOVXSKESA-N 0 0 303.324 3.004 20 10 DGCDRN CC[C@@]12C[C@@H](CO1)N(Cc1cccc(C(F)(F)F)c1O)C2 ZINC001233419410 1098324636 /nfs/dbraw/zinc/32/46/36/1098324636.db2.gz WXCCSPYLGNOPSY-FZMZJTMJSA-N 0 0 301.308 3.164 20 10 DGCDRN [O-]c1c(C[N@@H+]2CCC[C@]3(CCO3)C2)cccc1C(F)(F)F ZINC001233418389 1098324856 /nfs/dbraw/zinc/32/48/56/1098324856.db2.gz FKAZZSHORRJVDH-AWEZNQCLSA-N 0 0 301.308 3.166 20 10 DGCDRN Oc1c(CN2CCOC[C@@H]2C2CC2)cccc1C(F)(F)F ZINC001233419483 1098326384 /nfs/dbraw/zinc/32/63/84/1098326384.db2.gz ZMOIEQLJDVEFQB-CYBMUJFWSA-N 0 0 301.308 3.022 20 10 DGCDRN Cc1ncc(Nc2ccc(C(=O)Oc3ccc(N)cc3)cc2)cn1 ZINC001176399354 1098345763 /nfs/dbraw/zinc/34/57/63/1098345763.db2.gz KPNHUPQTVINOPO-UHFFFAOYSA-N 0 0 320.352 3.330 20 10 DGCDRN Cc1ccc(Nc2cnn(CCO)c2)c(C(=O)c2ccccc2)c1 ZINC001176478009 1098361670 /nfs/dbraw/zinc/36/16/70/1098361670.db2.gz PNGAWGXGFYFBMP-UHFFFAOYSA-N 0 0 321.380 3.158 20 10 DGCDRN CCOC(=O)[C@@H]1CCC[C@@H]1Oc1ccc2c(c1)CCN2CC ZINC001233602391 1098386219 /nfs/dbraw/zinc/38/62/19/1098386219.db2.gz SKAYJPQYTDTRQO-WBVHZDCISA-N 0 0 303.402 3.180 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001176754401 1098433855 /nfs/dbraw/zinc/43/38/55/1098433855.db2.gz CAGSTKXVUVNXHP-HDJSIYSDSA-N 0 0 303.402 3.321 20 10 DGCDRN COc1cccc([C@@H](C)Oc2nc[nH]c3cc(=O)c(O)cc2-3)c1 ZINC001233949404 1098464758 /nfs/dbraw/zinc/46/47/58/1098464758.db2.gz GPHRRJIKJONSHY-SNVBAGLBSA-N 0 0 312.325 3.190 20 10 DGCDRN CC(C)C[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])N(C)C ZINC001177200339 1098488303 /nfs/dbraw/zinc/48/83/03/1098488303.db2.gz WHPGWGXTOWWTGN-CYBMUJFWSA-N 0 0 302.821 3.251 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1O[C@H](C)c1cnc2ccccn21 ZINC001234473407 1098564058 /nfs/dbraw/zinc/56/40/58/1098564058.db2.gz GIXQGWHYQWNBKG-LLVKDONJSA-N 0 0 312.325 3.088 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001234475664 1098564972 /nfs/dbraw/zinc/56/49/72/1098564972.db2.gz ICFXCQYTPSFJAR-SNVBAGLBSA-N 0 0 317.297 3.349 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@H+]3[C@@H]4CC[C@H]3CC(=O)C4)c2c1 ZINC001234525512 1098581600 /nfs/dbraw/zinc/58/16/00/1098581600.db2.gz IOHBQZNZTYXGEF-OKILXGFUSA-N 0 0 311.381 3.250 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@H+]3CCC(=O)[C@@H](C)CC3)c2c1 ZINC001234526272 1098581663 /nfs/dbraw/zinc/58/16/63/1098581663.db2.gz SEOIOHMAZYMGLT-ZDUSSCGKSA-N 0 0 313.397 3.355 20 10 DGCDRN Cc1cc(C)c(CNC(=O)C(C)(C)Cc2cccnc2)c(O)c1 ZINC001178063550 1098693610 /nfs/dbraw/zinc/69/36/10/1098693610.db2.gz ZCPCFLDTADSBAB-UHFFFAOYSA-N 0 0 312.413 3.289 20 10 DGCDRN Oc1c(CN2Cc3cncnc3C2)cccc1-c1ccccc1 ZINC001234989296 1098737389 /nfs/dbraw/zinc/73/73/89/1098737389.db2.gz CHZPKIKDOKZMOF-UHFFFAOYSA-N 0 0 303.365 3.365 20 10 DGCDRN Oc1c(CN2CCn3ccnc3C2)cccc1-c1ccccc1 ZINC001235003772 1098744602 /nfs/dbraw/zinc/74/46/02/1098744602.db2.gz XNBSJNLQAMRBCV-UHFFFAOYSA-N 0 0 305.381 3.272 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001235067550 1098781975 /nfs/dbraw/zinc/78/19/75/1098781975.db2.gz WBIVEAWXBQVEBT-SWPVVBRQSA-N 0 0 318.161 3.226 20 10 DGCDRN O=[N+]([O-])c1cccc(CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])c1 ZINC001178393883 1098803937 /nfs/dbraw/zinc/80/39/37/1098803937.db2.gz YBAFLVUBCZLBBZ-UHFFFAOYSA-N 0 0 324.739 3.425 20 10 DGCDRN Cc1cc(C)c(CNC(=O)Cc2ncccc2C(F)F)c(O)c1 ZINC001178443393 1098818833 /nfs/dbraw/zinc/81/88/33/1098818833.db2.gz OEPQXIZIJLBZCP-UHFFFAOYSA-N 0 0 320.339 3.201 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@H]1Cc2ccc(Cl)cc21 ZINC001178413279 1098828312 /nfs/dbraw/zinc/82/83/12/1098828312.db2.gz PSQOGKVCLITUMP-LBPRGKRZSA-N 0 0 305.736 3.141 20 10 DGCDRN COc1cccc(/C(C)=C/C(=O)NCc2c(O)cccc2F)c1 ZINC001178413461 1098829276 /nfs/dbraw/zinc/82/92/76/1098829276.db2.gz SEHSAWHAJLYUOY-FMIVXFBMSA-N 0 0 315.344 3.260 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H](C)c2ncon2)cc1 ZINC001178714881 1098918461 /nfs/dbraw/zinc/91/84/61/1098918461.db2.gz OPEZHHSTKOJEBR-GFCCVEGCSA-N 0 0 324.384 3.011 20 10 DGCDRN [O-]c1c(Br)cc(F)cc1C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001235305571 1098952447 /nfs/dbraw/zinc/95/24/47/1098952447.db2.gz NZMDUOZWYDREBH-PELKAZGASA-N 0 0 300.171 3.278 20 10 DGCDRN Cn1ccc2cc(NC(=O)/C=C/c3ccc(O)c(O)c3)ccc21 ZINC001179687296 1099163158 /nfs/dbraw/zinc/16/31/58/1099163158.db2.gz SLHQXOPPLKWVDD-XVNBXDOJSA-N 0 0 308.337 3.241 20 10 DGCDRN Cc1cnc(Cl)c(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC001179683723 1099176363 /nfs/dbraw/zinc/17/63/63/1099176363.db2.gz UBPBOCCHNJJHLL-HWKANZROSA-N 0 0 304.733 3.107 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1nc2ccc(F)cc2o1 ZINC001179683652 1099176405 /nfs/dbraw/zinc/17/64/05/1099176405.db2.gz RLYCNBRHFGUMON-QHHAFSJGSA-N 0 0 314.272 3.030 20 10 DGCDRN CC(C)C[C@@H](CN(C)C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001179747597 1099197954 /nfs/dbraw/zinc/19/79/54/1099197954.db2.gz MPTXXBFOOOZTFJ-ZDUSSCGKSA-N 0 0 302.821 3.251 20 10 DGCDRN O=C(NCC[C@@H]1C[C@H]1Cc1ccccc1)c1cccc(O)c1O ZINC001179960385 1099273567 /nfs/dbraw/zinc/27/35/67/1099273567.db2.gz WJSYSUQXNZGJEB-HUUCEWRRSA-N 0 0 311.381 3.097 20 10 DGCDRN Cc1cccnc1CCCNC(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180122014 1099322094 /nfs/dbraw/zinc/32/20/94/1099322094.db2.gz DBUHTRSVIRZBLG-JLHYYAGUSA-N 0 0 323.440 3.218 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CCC=CCCC1 ZINC001180307467 1099367882 /nfs/dbraw/zinc/36/78/82/1099367882.db2.gz OQJRLJYGRRYUQK-XUJKRUJWSA-N 0 0 301.386 3.364 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN(C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236235587 1099489265 /nfs/dbraw/zinc/48/92/65/1099489265.db2.gz DZCPRSCUBVPCNB-ZDUSSCGKSA-N 0 0 315.244 3.415 20 10 DGCDRN Cc1c[nH]cc1C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001187806894 1099607503 /nfs/dbraw/zinc/60/75/03/1099607503.db2.gz XYNGDEKECAOCIQ-UHFFFAOYSA-N 0 0 315.760 3.160 20 10 DGCDRN O=C(NCc1ccccc1O)c1cccnc1-c1ccccc1 ZINC001187824983 1099621444 /nfs/dbraw/zinc/62/14/44/1099621444.db2.gz XHVIBJHCZGTQPQ-UHFFFAOYSA-N 0 0 304.349 3.384 20 10 DGCDRN Cc1cc(Cl)cc(CN2CCCc3cc(O)c(O)cc3C2)n1 ZINC001236647638 1099719508 /nfs/dbraw/zinc/71/95/08/1099719508.db2.gz OQQPGRAPBUEQQV-UHFFFAOYSA-N 0 0 318.804 3.403 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2ccnn2-c2ccccc2)c(O)c1 ZINC001188440407 1099762598 /nfs/dbraw/zinc/76/25/98/1099762598.db2.gz CWKPZFGTDAOVDM-UHFFFAOYSA-N 0 0 321.380 3.125 20 10 DGCDRN COc1cc(CN2CC(C)(C)C2)c(O)cc1Br ZINC001236744888 1099770377 /nfs/dbraw/zinc/77/03/77/1099770377.db2.gz IBQJBMLUCCJZDH-UHFFFAOYSA-N 0 0 300.196 3.005 20 10 DGCDRN COc1cc(O)c(CN2CCCC[C@H]2C(F)(F)F)cc1OC ZINC001236756184 1099772338 /nfs/dbraw/zinc/77/23/38/1099772338.db2.gz KXMNZJVIZTVPHU-AWEZNQCLSA-N 0 0 319.323 3.326 20 10 DGCDRN C[C@@]1(O)CCC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236794985 1099791968 /nfs/dbraw/zinc/79/19/68/1099791968.db2.gz YWGNMUILFHPGCP-CQSZACIVSA-N 0 0 304.217 3.436 20 10 DGCDRN COc1cc(O)c(CN2Cc3cnc(C)cc3C2)c(Cl)c1 ZINC001236800676 1099793139 /nfs/dbraw/zinc/79/31/39/1099793139.db2.gz ASXVFTBIUXKVJD-UHFFFAOYSA-N 0 0 304.777 3.273 20 10 DGCDRN COc1ccc(CN2CCC([NH+]3CCCC3)CC2)c([O-])c1Cl ZINC001236800931 1099794006 /nfs/dbraw/zinc/79/40/06/1099794006.db2.gz AWPLRSATQFODEY-UHFFFAOYSA-N 0 0 324.852 3.114 20 10 DGCDRN CC[N@H+](CCn1cccn1)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236799589 1099795001 /nfs/dbraw/zinc/79/50/01/1099795001.db2.gz PDSYRLRFPYDNBB-UHFFFAOYSA-N 0 0 314.216 3.418 20 10 DGCDRN COc1ccc(C[NH+]2CC3(C2)CC(F)(F)C3)c([O-])c1Cl ZINC001236804352 1099797874 /nfs/dbraw/zinc/79/78/74/1099797874.db2.gz YHIPFMBIJGPGMB-UHFFFAOYSA-N 0 0 303.736 3.285 20 10 DGCDRN COc1cc(O)c(CN(C)Cc2cccnc2C)c(Cl)c1 ZINC001236809573 1099799097 /nfs/dbraw/zinc/79/90/97/1099799097.db2.gz WUNWSPNZXFSPBV-UHFFFAOYSA-N 0 0 306.793 3.390 20 10 DGCDRN COc1cc(C)c(CN2CC[C@H](CF)C(F)(F)C2)c(O)c1 ZINC001236809609 1099799764 /nfs/dbraw/zinc/79/97/64/1099799764.db2.gz YLAKKTLPNQDZPE-LLVKDONJSA-N 0 0 303.324 3.136 20 10 DGCDRN COc1ccc(C[N@@H+]2CCC[C@@H]2c2cnccn2)c([O-])c1Cl ZINC001236805594 1099800584 /nfs/dbraw/zinc/80/05/84/1099800584.db2.gz AOXLHKZCLMJVPP-CYBMUJFWSA-N 0 0 319.792 3.181 20 10 DGCDRN CCOCC1CC[NH+](Cc2ccc(OC)c(Cl)c2[O-])CC1 ZINC001236806971 1099800970 /nfs/dbraw/zinc/80/09/70/1099800970.db2.gz LMANWQILUTYVOS-UHFFFAOYSA-N 0 0 313.825 3.303 20 10 DGCDRN COc1ccc(C[N@@H+]2CCC3(C2)CCOCC3)c([O-])c1Cl ZINC001236812071 1099801829 /nfs/dbraw/zinc/80/18/29/1099801829.db2.gz QYUGHXDPRBPAMB-UHFFFAOYSA-N 0 0 311.809 3.057 20 10 DGCDRN COc1cc(C)c(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c(O)c1 ZINC001236814090 1099801927 /nfs/dbraw/zinc/80/19/27/1099801927.db2.gz OXYOTYFAIIOXLX-INIZCTEOSA-N 0 0 313.397 3.363 20 10 DGCDRN [NH3+]C[C@@H]1Cc2ccccc2CN1Cc1cc(Cl)cc(F)c1[O-] ZINC001237028193 1099934164 /nfs/dbraw/zinc/93/41/64/1099934164.db2.gz PWZJJPGYENWNTF-HNNXBMFYSA-N 0 0 320.795 3.070 20 10 DGCDRN COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C(C)C)cc2O)C1 ZINC001237045863 1099942916 /nfs/dbraw/zinc/94/29/16/1099942916.db2.gz LUDJHWAFHCNBIE-CZUORRHYSA-N 0 0 305.418 3.289 20 10 DGCDRN [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1CC[C@]2(CCCO2)C1 ZINC001237077118 1099956240 /nfs/dbraw/zinc/95/62/40/1099956240.db2.gz CYUUIEODBMLRAD-CQSZACIVSA-N 0 0 302.201 3.454 20 10 DGCDRN CCC1(O)CC[NH+](Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237085244 1099965486 /nfs/dbraw/zinc/96/54/86/1099965486.db2.gz WBYUDUXURLLMNL-UHFFFAOYSA-N 0 0 304.217 3.436 20 10 DGCDRN Oc1ccc(C(F)(F)F)cc1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC001237139919 1099989829 /nfs/dbraw/zinc/98/98/29/1099989829.db2.gz RBRQZJHFOUDEKR-AWEZNQCLSA-N 0 0 314.351 3.081 20 10 DGCDRN CCCCOC1CN(Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237138717 1099990533 /nfs/dbraw/zinc/99/05/33/1099990533.db2.gz DTWMURZURPXQCW-UHFFFAOYSA-N 0 0 303.324 3.412 20 10 DGCDRN Oc1ccc(C(F)(F)F)cc1CN1CCc2ccncc2C1 ZINC001237141013 1099994058 /nfs/dbraw/zinc/99/40/58/1099994058.db2.gz RLEIYMOWUOUEJG-UHFFFAOYSA-N 0 0 308.303 3.364 20 10 DGCDRN CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cc(C(F)(F)F)ccc1O ZINC001237146586 1099996633 /nfs/dbraw/zinc/99/66/33/1099996633.db2.gz VEKZOYDBEPQGQB-CYBMUJFWSA-N 0 0 303.324 3.146 20 10 DGCDRN Cn1ncc2c1CN(Cc1cc(-c3ccc(F)cc3)ccc1O)C2 ZINC001237648202 1100201226 /nfs/dbraw/zinc/20/12/26/1100201226.db2.gz YKMDAKMTNYILGZ-UHFFFAOYSA-N 0 0 323.371 3.448 20 10 DGCDRN CCc1n[nH]cc1CN1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001237651735 1100204803 /nfs/dbraw/zinc/20/48/03/1100204803.db2.gz WJUMCSHXJIRWGG-UHFFFAOYSA-N 0 0 324.428 3.031 20 10 DGCDRN Cc1cc(O)c(C[N@H+](C)Cc2ccncc2)cc1Br ZINC001237678346 1100212562 /nfs/dbraw/zinc/21/25/62/1100212562.db2.gz YBYNHYXJVBYCDM-UHFFFAOYSA-N 0 0 321.218 3.490 20 10 DGCDRN Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@](O)(CF)C2)c1O ZINC001237681770 1100212924 /nfs/dbraw/zinc/21/29/24/1100212924.db2.gz RHGHKTFSOBVZBF-HNNXBMFYSA-N 0 0 301.789 3.041 20 10 DGCDRN Cc1cc(O)c(CN2CC(OC(C)C)C2)cc1Br ZINC001237684098 1100215353 /nfs/dbraw/zinc/21/53/53/1100215353.db2.gz GVLGAUWCCMSAAO-UHFFFAOYSA-N 0 0 314.223 3.072 20 10 DGCDRN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)c1O ZINC001237687195 1100215429 /nfs/dbraw/zinc/21/54/29/1100215429.db2.gz VBCIQHJGERNREJ-INIZCTEOSA-N 0 0 318.804 3.402 20 10 DGCDRN CC(C)[N@H+](C)[C@@H]1CCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237804977 1100250890 /nfs/dbraw/zinc/25/08/90/1100250890.db2.gz IYCPMDLMTIXQGM-CYBMUJFWSA-N 0 0 300.805 3.099 20 10 DGCDRN CO[C@H]1CCC[C@@H]2C[N@H+](Cc3cc(F)c(Cl)cc3[O-])C[C@@H]21 ZINC001237938170 1100296864 /nfs/dbraw/zinc/29/68/64/1100296864.db2.gz VKULIDAQYXGWME-XAGWURHQSA-N 0 0 313.800 3.432 20 10 DGCDRN Oc1cc(Cl)c(F)cc1CN1CCOC[C@@H]1c1cccnc1 ZINC001237941178 1100300010 /nfs/dbraw/zinc/30/00/10/1100300010.db2.gz QZPGEAHCMFMPBS-OAHLLOKOSA-N 0 0 322.767 3.153 20 10 DGCDRN CCCCNC(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001190630790 1100311901 /nfs/dbraw/zinc/31/19/01/1100311901.db2.gz ZYXBQHAYYOMLIQ-UHFFFAOYSA-N 0 0 307.781 3.193 20 10 DGCDRN COc1ccc2c(c1)CC[N@@H+](Cc1cc(F)cc(C)c1O)C2 ZINC001238058703 1100345570 /nfs/dbraw/zinc/34/55/70/1100345570.db2.gz VBKIQFFWWZRAEO-UHFFFAOYSA-N 0 0 301.361 3.407 20 10 DGCDRN Cc1nc2c(ccn2C)c(-c2cc(OC(C)C)cnc2F)n1 ZINC001238887894 1100552537 /nfs/dbraw/zinc/55/25/37/1100552537.db2.gz QSIZJBWSZSIVBN-UHFFFAOYSA-N 0 0 300.337 3.265 20 10 DGCDRN CCOC(=O)[C@@H]1C[C@H]1CN(c1ccc(OC)c(F)c1)C(C)C ZINC001192139415 1100582770 /nfs/dbraw/zinc/58/27/70/1100582770.db2.gz DJPWRHNKLKBJFA-GXTWGEPZSA-N 0 0 309.381 3.248 20 10 DGCDRN Cn1cc(-c2ccn(Cc3ccncc3)c(=O)c2)c2ccccc21 ZINC001239541817 1100686002 /nfs/dbraw/zinc/68/60/02/1100686002.db2.gz NPFIVZJDAWKCCT-UHFFFAOYSA-N 0 0 315.376 3.450 20 10 DGCDRN CC[C@H](C)NC(=O)c1csc(-c2ccc(N(C)C)cc2)n1 ZINC001193175293 1100710829 /nfs/dbraw/zinc/71/08/29/1100710829.db2.gz CXXRDERJIYXHFE-NSHDSACASA-N 0 0 303.431 3.404 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2ccc(Br)[nH]2)c(O)c1 ZINC001193342963 1100729721 /nfs/dbraw/zinc/72/97/21/1100729721.db2.gz ZJRTYILFOIVOAW-UHFFFAOYSA-N 0 0 323.190 3.030 20 10 DGCDRN COC(=O)Nc1cccc2c1C(=O)c1cccc(Cl)c1C2=O ZINC001193910187 1100841761 /nfs/dbraw/zinc/84/17/61/1100841761.db2.gz AVUVZOGVDNHPJJ-UHFFFAOYSA-N 0 0 315.712 3.294 20 10 DGCDRN Cc1nn(C)c(C)c1-c1cc(N2CCc3ccccc32)ncn1 ZINC001240141650 1100877933 /nfs/dbraw/zinc/87/79/33/1100877933.db2.gz CIJNZHNMJWWTQF-UHFFFAOYSA-N 0 0 305.385 3.188 20 10 DGCDRN COc1ccc(N2CCN(C(=O)OCC(C)(C)C)CC2)c(C)c1 ZINC001194377992 1100915971 /nfs/dbraw/zinc/91/59/71/1100915971.db2.gz FPBIJDVCCYZMLI-UHFFFAOYSA-N 0 0 320.433 3.308 20 10 DGCDRN Cn1cc(-c2ncnc3c2ccn3Cc2ccc(F)cc2)cn1 ZINC001240294593 1100930031 /nfs/dbraw/zinc/93/00/31/1100930031.db2.gz ZYZVNODURFMANV-UHFFFAOYSA-N 0 0 307.332 3.019 20 10 DGCDRN O=C(c1ccc(C(F)(F)F)o1)N1CCc2cccc(O)c2C1 ZINC001194414718 1100937986 /nfs/dbraw/zinc/93/79/86/1100937986.db2.gz WOSUWKZHXPULRA-UHFFFAOYSA-N 0 0 311.259 3.203 20 10 DGCDRN Cc1c(-c2ncnc3c2ccn3Cc2ccccc2)cnn1C ZINC001240378382 1100965710 /nfs/dbraw/zinc/96/57/10/1100965710.db2.gz BRBVKXBEFWWJRG-UHFFFAOYSA-N 0 0 303.369 3.189 20 10 DGCDRN Cc1cccc(C)c1S(=O)(=O)Nc1cccc(N(C)C)c1 ZINC001194642994 1100980445 /nfs/dbraw/zinc/98/04/45/1100980445.db2.gz GSFJKFAVQRTYBX-UHFFFAOYSA-N 0 0 304.415 3.170 20 10 DGCDRN Cn1ccc2ccc(-c3ccc(=O)n(-c4ccccn4)c3)cc21 ZINC001240576348 1101056490 /nfs/dbraw/zinc/05/64/90/1101056490.db2.gz SFJAFPNRYPLJBJ-UHFFFAOYSA-N 0 0 301.349 3.391 20 10 DGCDRN Cn1ccc2ccc(-c3cccn(Cc4ccccn4)c3=O)cc21 ZINC001240575919 1101056805 /nfs/dbraw/zinc/05/68/05/1101056805.db2.gz JQJJIOCJQXWYIF-UHFFFAOYSA-N 0 0 315.376 3.450 20 10 DGCDRN Cn1ccc2ccc(-c3cnc(OC4CCOCC4)nc3)cc21 ZINC001240576746 1101057121 /nfs/dbraw/zinc/05/71/21/1101057121.db2.gz YXPGGWGDWFKDLK-UHFFFAOYSA-N 0 0 309.369 3.193 20 10 DGCDRN Cc1nc2c(ccn2C)c(-c2ccc(N3CCCCC3)nc2)n1 ZINC001240583285 1101059647 /nfs/dbraw/zinc/05/96/47/1101059647.db2.gz MSZLWTNWPIZFHN-UHFFFAOYSA-N 0 0 307.401 3.329 20 10 DGCDRN O=S(=O)(Nc1ccc(O)c2ccccc12)c1ccc(O)cc1 ZINC001195797042 1101204388 /nfs/dbraw/zinc/20/43/88/1101204388.db2.gz VKQGLQWGAVHTQJ-UHFFFAOYSA-N 0 0 315.350 3.052 20 10 DGCDRN Cc1ccc(F)cc1NC(=S)NCc1ccc(O)cc1O ZINC001195931880 1101223984 /nfs/dbraw/zinc/22/39/84/1101223984.db2.gz MMWMMWBQSFYTII-UHFFFAOYSA-N 0 0 306.362 3.032 20 10 DGCDRN O=C(NCc1ccccc1O)c1cnccc1-c1ccccc1 ZINC001196484574 1101317488 /nfs/dbraw/zinc/31/74/88/1101317488.db2.gz VOUHHPFIQTUGGG-UHFFFAOYSA-N 0 0 304.349 3.384 20 10 DGCDRN O=c1cnc(C2=CCN(c3ccccc3)CC2)cn1C1CCC1 ZINC001241354291 1101398454 /nfs/dbraw/zinc/39/84/54/1101398454.db2.gz IOLOIHOMFNHNQA-UHFFFAOYSA-N 0 0 307.397 3.262 20 10 DGCDRN O=S(=O)(N[C@@H]1C[C@H]1F)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197187374 1101487228 /nfs/dbraw/zinc/48/72/28/1101487228.db2.gz DETFLVBIWFNYPX-UICBKRPASA-N 0 0 319.361 3.491 20 10 DGCDRN O=C(NCc1ccccc1O)c1ccc(Cl)nc1C1CC1 ZINC001197269762 1101516190 /nfs/dbraw/zinc/51/61/90/1101516190.db2.gz ITJDLRYXJFLSLM-UHFFFAOYSA-N 0 0 302.761 3.248 20 10 DGCDRN CC1=S=C(c2ccc(-c3cccc4nn(C)cc43)nn2)C=C1 ZINC001241580733 1101559716 /nfs/dbraw/zinc/55/97/16/1101559716.db2.gz GJOYOBXBZOGAGZ-UHFFFAOYSA-N 0 0 306.394 3.046 20 10 DGCDRN COC(=O)c1cnc(-c2ccc(SC)nc2)c2ccn(C)c21 ZINC001241632395 1101594274 /nfs/dbraw/zinc/59/42/74/1101594274.db2.gz ONZQDHMHCKHQBZ-UHFFFAOYSA-N 0 0 313.382 3.144 20 10 DGCDRN Cn1ccc2c1cccc2-c1ccccc1NS(C)(=O)=O ZINC001241823222 1101728204 /nfs/dbraw/zinc/72/82/04/1101728204.db2.gz YQMVOCYDUQGLSF-UHFFFAOYSA-N 0 0 300.383 3.217 20 10 DGCDRN O=c1cc(-c2cnn(C3CC3)c2)ccn1Cc1ccccc1F ZINC001241910274 1101776355 /nfs/dbraw/zinc/77/63/55/1101776355.db2.gz JCWDUIDNOODSMV-UHFFFAOYSA-N 0 0 309.344 3.234 20 10 DGCDRN C[C@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccccc1O ZINC001198308506 1101830972 /nfs/dbraw/zinc/83/09/72/1101830972.db2.gz QLAIKVMFBZCMKO-JTQLQIEISA-N 0 0 316.382 3.169 20 10 DGCDRN O=c1ccc(-c2ncnc3c2ccn3Cc2ccccc2F)c[nH]1 ZINC001242061091 1101887390 /nfs/dbraw/zinc/88/73/90/1101887390.db2.gz MBEYENAPVZPNKV-UHFFFAOYSA-N 0 0 320.327 3.386 20 10 DGCDRN CNc1ccc(-c2cc(N3CCc4ccccc43)ncn2)cn1 ZINC001242068329 1101889469 /nfs/dbraw/zinc/88/94/69/1101889469.db2.gz SKCQJOMXWAQMAX-UHFFFAOYSA-N 0 0 303.369 3.275 20 10 DGCDRN CNc1ccc(-c2ccn(Cc3ccc(F)cc3)c(=O)c2)cn1 ZINC001242071455 1101892040 /nfs/dbraw/zinc/89/20/40/1101892040.db2.gz RYRBJJOYZGQQIG-UHFFFAOYSA-N 0 0 309.344 3.139 20 10 DGCDRN Cc1nc2c(ccn2C)c(-c2cnn(Cc3cccs3)c2)n1 ZINC001242089850 1101904040 /nfs/dbraw/zinc/90/40/40/1101904040.db2.gz HAHQULXDZPSDAQ-UHFFFAOYSA-N 0 0 309.398 3.250 20 10 DGCDRN Cc1oc2cc(O)ccc2c1C(=O)N1CCc2cccc(O)c2C1 ZINC001198625417 1101932858 /nfs/dbraw/zinc/93/28/58/1101932858.db2.gz NKYSLUFEIVHOLT-UHFFFAOYSA-N 0 0 323.348 3.351 20 10 DGCDRN COC(=O)c1cnc(-c2cncc(C3CC3)c2)c2ccn(C)c21 ZINC001242194179 1101968847 /nfs/dbraw/zinc/96/88/47/1101968847.db2.gz QIMOPMGFFAEEKG-UHFFFAOYSA-N 0 0 307.353 3.299 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2ccnc(OC(C)C)c2)c(O)c1 ZINC001199211976 1102083942 /nfs/dbraw/zinc/08/39/42/1102083942.db2.gz ZGFKSXNEMYZZJU-UHFFFAOYSA-N 0 0 314.385 3.121 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2ncccc2OC(C)C)c(O)c1 ZINC001199242836 1102091103 /nfs/dbraw/zinc/09/11/03/1102091103.db2.gz CRWWLGKIIIQAGX-UHFFFAOYSA-N 0 0 314.385 3.121 20 10 DGCDRN CN(C)c1cncc(-c2cc(N3CCc4ccccc43)ncn2)c1 ZINC001242527306 1102188713 /nfs/dbraw/zinc/18/87/13/1102188713.db2.gz TUZDNZGZMPOUPK-UHFFFAOYSA-N 0 0 317.396 3.299 20 10 DGCDRN COc1ncc(-c2cc(=O)n(C)c3ccccc23)cc1Cl ZINC001242934531 1102426726 /nfs/dbraw/zinc/42/67/26/1102426726.db2.gz WYRHNFVXDBGCNY-UHFFFAOYSA-N 0 0 300.745 3.263 20 10 DGCDRN Fc1ccc(NC(=S)NCc2ncccc2Cl)c(F)c1 ZINC001200935535 1102441529 /nfs/dbraw/zinc/44/15/29/1102441529.db2.gz DJAMRLNLZWAKNF-UHFFFAOYSA-N 0 0 313.760 3.500 20 10 DGCDRN Cc1ccc(F)c(CNC(=S)Nc2ccc(F)c(C)c2)n1 ZINC001201044971 1102482039 /nfs/dbraw/zinc/48/20/39/1102482039.db2.gz NVPKNHBKFTVIMZ-UHFFFAOYSA-N 0 0 307.369 3.463 20 10 DGCDRN CSc1ccc(NC(=S)NCc2ccc(O)c(O)c2)cc1 ZINC001201188941 1102510767 /nfs/dbraw/zinc/51/07/67/1102510767.db2.gz GMFYDWLZGYURSG-UHFFFAOYSA-N 0 0 320.439 3.306 20 10 DGCDRN CN(C)c1ccc(/C=C\CNc2ccc(-n3nccn3)cc2)cc1 ZINC001201234418 1102524555 /nfs/dbraw/zinc/52/45/55/1102524555.db2.gz CDFRGAPCJFLSOF-ARJAWSKDSA-N 0 0 319.412 3.459 20 10 DGCDRN Cc1nn(C)c2ncc(NCc3cc(Cl)cc(F)c3O)cc12 ZINC001201714622 1102698254 /nfs/dbraw/zinc/69/82/54/1102698254.db2.gz QFVSSVHACXSGLD-UHFFFAOYSA-N 0 0 320.755 3.387 20 10 DGCDRN O=C(NCc1ccc(Br)cc1O)Nc1ccccc1 ZINC001201961278 1102774522 /nfs/dbraw/zinc/77/45/22/1102774522.db2.gz BGHCEIXQXZNWJS-UHFFFAOYSA-N 0 0 321.174 3.476 20 10 DGCDRN COc1cc(F)cc(NC(=O)N[C@H](C)c2ccccc2O)c1 ZINC001202009578 1102778917 /nfs/dbraw/zinc/77/89/17/1102778917.db2.gz AMVTYDKOONACCC-SNVBAGLBSA-N 0 0 304.321 3.423 20 10 DGCDRN CSc1ccc(-c2ccn(Cc3ccncc3)c(=O)c2)c(C)n1 ZINC001243593395 1102834611 /nfs/dbraw/zinc/83/46/11/1102834611.db2.gz JINGQSVTKHQHCF-UHFFFAOYSA-N 0 0 323.421 3.384 20 10 DGCDRN COc1ccc(F)cc1NC(=O)N[C@H](C)c1ccccc1O ZINC001202130877 1102846921 /nfs/dbraw/zinc/84/69/21/1102846921.db2.gz FCLIFQWGQGUFLH-SNVBAGLBSA-N 0 0 304.321 3.423 20 10 DGCDRN CC[C@]1(C)COCCN1Cc1cc(Br)ccc1O ZINC000687976988 1103181703 /nfs/dbraw/zinc/18/17/03/1103181703.db2.gz WMRXMMDVTMCLJA-CQSZACIVSA-N 0 0 314.223 3.156 20 10 DGCDRN CO[C@@H]1CC[C@@H](NC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001326202961 1103232559 /nfs/dbraw/zinc/23/25/59/1103232559.db2.gz YDDOLDYAMSVDSO-SJLPKXTDSA-N 0 0 312.413 3.391 20 10 DGCDRN Nc1ccc(Cc2noc(-c3ccnc(OC4CCC4)c3)n2)cc1 ZINC001326236442 1103241859 /nfs/dbraw/zinc/24/18/59/1103241859.db2.gz IWZCBRCPNPGRNM-UHFFFAOYSA-N 0 0 322.368 3.236 20 10 DGCDRN C[C@H]1CCC[C@@H](C[NH2+]Cc2cccc(Br)c2[O-])O1 ZINC000688867035 1103262013 /nfs/dbraw/zinc/26/20/13/1103262013.db2.gz RKCDUKIEPWDCGI-JQWIXIFHSA-N 0 0 314.223 3.202 20 10 DGCDRN O=C(N1CC=C(c2ccc(N3CCCC3)cc2)CC1)C(F)(F)F ZINC001244226085 1103293357 /nfs/dbraw/zinc/29/33/57/1103293357.db2.gz WGXKEBXMXFYLGG-UHFFFAOYSA-N 0 0 324.346 3.465 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H](F)[C@@H](F)C2)cc1 ZINC001326705740 1103413229 /nfs/dbraw/zinc/41/32/29/1103413229.db2.gz BLGIZRFEVNXUAP-IYBDPMFKSA-N 0 0 304.340 3.226 20 10 DGCDRN COC(=O)[C@H](CC(C)(C)C)NCc1ccc(N2CCCC2)cc1 ZINC001327121404 1103534143 /nfs/dbraw/zinc/53/41/43/1103534143.db2.gz QCWFKBTYWIGYBI-KRWDZBQOSA-N 0 0 318.461 3.354 20 10 DGCDRN O=C(N[C@@H](c1ccc(F)cc1F)C1CC1)c1cccc(O)c1O ZINC001137068244 1103951536 /nfs/dbraw/zinc/95/15/36/1103951536.db2.gz BCUGBHDPYTWREL-OAHLLOKOSA-N 0 0 319.307 3.257 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001328482738 1103963856 /nfs/dbraw/zinc/96/38/56/1103963856.db2.gz QVMGAAXULBNMTG-FXAINCCUSA-N 0 0 315.747 3.343 20 10 DGCDRN Nc1ncc(-c2cc(N3CCc4ccccc43)ncn2)cc1Cl ZINC001245563701 1104126163 /nfs/dbraw/zinc/12/61/63/1104126163.db2.gz HKQYBSNBBKLVSG-UHFFFAOYSA-N 0 0 323.787 3.468 20 10 DGCDRN Nc1ncc(-c2ccn(Cc3ccccc3)c(=O)c2)cc1Cl ZINC001245567105 1104128486 /nfs/dbraw/zinc/12/84/86/1104128486.db2.gz RMLBQRYFIJIPHM-UHFFFAOYSA-N 0 0 311.772 3.194 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1cnccc1Cl)CCC2 ZINC001137239401 1104195033 /nfs/dbraw/zinc/19/50/33/1104195033.db2.gz UGILAJPRAOMKAJ-UHFFFAOYSA-N 0 0 304.777 3.095 20 10 DGCDRN O=C(NCCCSc1nccs1)N[C@H]1CCC[C@@H](F)C1 ZINC001329253955 1104200841 /nfs/dbraw/zinc/20/08/41/1104200841.db2.gz QDKIZMKPASCYHK-MNOVXSKESA-N 0 0 317.455 3.205 20 10 DGCDRN C[C@H]1CCCC[C@H]1OCC(=O)Nc1c2nonc2ccc1Cl ZINC001329517140 1104294116 /nfs/dbraw/zinc/29/41/16/1104294116.db2.gz AJGMMOFCSPYVAX-JOYOIKCWSA-N 0 0 323.780 3.410 20 10 DGCDRN CN(C)c1cc(F)c(CNc2cccc([S@@](C)=O)c2)cc1F ZINC001329722690 1104372445 /nfs/dbraw/zinc/37/24/45/1104372445.db2.gz NVUMCESZBGCJPY-JOCHJYFZSA-N 0 0 324.396 3.380 20 10 DGCDRN CC[C@H](C)NC(=O)[C@@H]1CC12CCN(c1ccc(OC)cc1)CC2 ZINC001274790849 1104490051 /nfs/dbraw/zinc/49/00/51/1104490051.db2.gz MGOWSNBJESOIPF-YOEHRIQHSA-N 0 0 316.445 3.216 20 10 DGCDRN C[C@@H](NC(=O)NCCCc1ccc(O)cc1)c1ccccc1O ZINC001330263665 1104525253 /nfs/dbraw/zinc/52/52/53/1104525253.db2.gz CNBMJFUPPARFNH-CYBMUJFWSA-N 0 0 314.385 3.091 20 10 DGCDRN CN1CC2(C1)CCC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001275271127 1104699355 /nfs/dbraw/zinc/69/93/55/1104699355.db2.gz JYTXWXZGWDPYQJ-UHFFFAOYSA-N 0 0 315.244 3.227 20 10 DGCDRN [O-]c1c(F)ccc(F)c1CN1CC[C@H]2C[N@@H+](C3CCCC3)C[C@H]21 ZINC001275362247 1104737281 /nfs/dbraw/zinc/73/72/81/1104737281.db2.gz JYNMCIHQTLTMKQ-YVEFUNNKSA-N 0 0 322.399 3.119 20 10 DGCDRN CCOc1cccc(-c2noc(Cc3ccc(O)c(O)c3)n2)c1 ZINC001247959437 1105021298 /nfs/dbraw/zinc/02/12/98/1105021298.db2.gz QCMZHJJUMJIXQH-UHFFFAOYSA-N 0 0 312.325 3.137 20 10 DGCDRN Cc1ccc(-c2noc(Cc3ccc(O)c(O)c3)n2)c(F)c1 ZINC001247959505 1105021865 /nfs/dbraw/zinc/02/18/65/1105021865.db2.gz SEDAEUFJJGXOMC-UHFFFAOYSA-N 0 0 300.289 3.186 20 10 DGCDRN Oc1ccc(Cc2nc(-c3ncccc3C3CC3)no2)cc1O ZINC001247960395 1105022141 /nfs/dbraw/zinc/02/21/41/1105022141.db2.gz CYLBYPFKBCHRNB-UHFFFAOYSA-N 0 0 309.325 3.011 20 10 DGCDRN COc1ncccc1-c1noc(/C=C/c2ccc(N(C)C)cc2)n1 ZINC001248039335 1105037365 /nfs/dbraw/zinc/03/73/65/1105037365.db2.gz RXPKBLATRQHNRB-DHZHZOJOSA-N 0 0 322.368 3.377 20 10 DGCDRN Nc1ccc(Cc2nc(-c3ccc4c(c3)C(=O)CC4)no2)cc1 ZINC001248184199 1105062572 /nfs/dbraw/zinc/06/25/72/1105062572.db2.gz QGXRPVYXUZPREC-UHFFFAOYSA-N 0 0 305.337 3.039 20 10 DGCDRN Oc1cccc2c1CN(C(=S)Nc1cc(F)ccc1F)CC2 ZINC001248578264 1105132097 /nfs/dbraw/zinc/13/20/97/1105132097.db2.gz KJILREWXMDQDBI-UHFFFAOYSA-N 0 0 320.364 3.426 20 10 DGCDRN CCOc1cccc(CNC(=S)Nc2cc(F)ccc2F)n1 ZINC001248629447 1105139092 /nfs/dbraw/zinc/13/90/92/1105139092.db2.gz OANYHYPJTGQVAP-UHFFFAOYSA-N 0 0 323.368 3.245 20 10 DGCDRN CCN1CCN(Cc2cc(Cl)c(C(C)(C)C)cc2O)CC1=O ZINC001248883444 1105186350 /nfs/dbraw/zinc/18/63/50/1105186350.db2.gz HIESMUSGPUWQIN-UHFFFAOYSA-N 0 0 324.852 3.007 20 10 DGCDRN CC(=O)N[C@H]1CC[N@H+](Cc2cc(Cl)c(C(C)(C)C)cc2O)C1 ZINC001248885082 1105186665 /nfs/dbraw/zinc/18/66/65/1105186665.db2.gz JQXDTZAQCZDTMY-ZDUSSCGKSA-N 0 0 324.852 3.054 20 10 DGCDRN CC1(C)C=Cc2c(O)c(CN3CCn4cccc4C3)ccc2O1 ZINC001249244499 1105256332 /nfs/dbraw/zinc/25/63/32/1105256332.db2.gz ISZAJSDGNZKKNL-UHFFFAOYSA-N 0 0 310.397 3.394 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1nc(C3CC3)cs1)CCC2 ZINC001249529874 1105307582 /nfs/dbraw/zinc/30/75/82/1105307582.db2.gz LIDQEFQRDLKBTM-UHFFFAOYSA-N 0 0 316.426 3.380 20 10 DGCDRN Cc1cc(CN2C[C@@H](C)O[C@H](C)C2)c(O)cc1Br ZINC001250116611 1105445022 /nfs/dbraw/zinc/44/50/22/1105445022.db2.gz DOYBTSBPVVTUEP-GHMZBOCLSA-N 0 0 314.223 3.072 20 10 DGCDRN Cc1cc(CN2CCC[C@@H]2CF)c(O)cc1Br ZINC001250135507 1105451155 /nfs/dbraw/zinc/45/11/55/1105451155.db2.gz BYKAABQXKUAMAR-LLVKDONJSA-N 0 0 302.187 3.397 20 10 DGCDRN Cc1cccc2c(C(=O)NCCc3ccc(O)c(O)c3)coc21 ZINC001137464949 1105526504 /nfs/dbraw/zinc/52/65/04/1105526504.db2.gz XLOQWDMMJUUDLK-UHFFFAOYSA-N 0 0 311.337 3.125 20 10 DGCDRN CCOc1ccccc1NC[C@@H](O)COc1ccc(F)cc1F ZINC001250863993 1105595872 /nfs/dbraw/zinc/59/58/72/1105595872.db2.gz AFJUFGMFZIJTTP-CYBMUJFWSA-N 0 0 323.339 3.215 20 10 DGCDRN Cn1c2cc(F)ccc2nc1-c1ccccc1-c1cnc(N)nc1 ZINC001250863632 1105596259 /nfs/dbraw/zinc/59/62/59/1105596259.db2.gz YAUBAGOOAFBMIF-UHFFFAOYSA-N 0 0 319.343 3.419 20 10 DGCDRN O=C(c1ccccc1)c1ccccc1NC[C@H](O)C(F)(F)F ZINC001250977000 1105614527 /nfs/dbraw/zinc/61/45/27/1105614527.db2.gz GSVPIMZDHQLYGR-AWEZNQCLSA-N 0 0 309.287 3.253 20 10 DGCDRN Oc1cc(-c2nc3c(cc(Cl)c(F)c3F)[nH]2)cc(O)c1O ZINC001251248531 1105644839 /nfs/dbraw/zinc/64/48/39/1105644839.db2.gz WLWAPYDMLQAUIO-UHFFFAOYSA-N 0 0 312.659 3.278 20 10 DGCDRN CC/C=C\CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001251361987 1105653280 /nfs/dbraw/zinc/65/32/80/1105653280.db2.gz SWCORKOTFGNFRB-PLNGDYQASA-N 0 0 301.434 3.394 20 10 DGCDRN CCOc1ccc(-c2nnc(Cc3ccc(O)c(O)c3)o2)cc1 ZINC001252071737 1105733306 /nfs/dbraw/zinc/73/33/06/1105733306.db2.gz LFRJJTTVMBXBLX-UHFFFAOYSA-N 0 0 312.325 3.137 20 10 DGCDRN C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccc(F)cc1F ZINC001252113624 1105742588 /nfs/dbraw/zinc/74/25/88/1105742588.db2.gz MTDZFRICJFIOMS-GFCCVEGCSA-N 0 0 318.367 3.451 20 10 DGCDRN Oc1cc2cc(-c3nnc(-c4ccc(F)cc4)o3)[nH]c2cc1O ZINC001252179439 1105752362 /nfs/dbraw/zinc/75/23/62/1105752362.db2.gz KZXAKTIOCHELJZ-UHFFFAOYSA-N 0 0 311.272 3.435 20 10 DGCDRN Oc1cc(-c2nnc(-c3cccc(Cl)c3)o2)cc(O)c1O ZINC001253735032 1105976889 /nfs/dbraw/zinc/97/68/89/1105976889.db2.gz JJANBXQWRYQNKE-UHFFFAOYSA-N 0 0 304.689 3.174 20 10 DGCDRN Oc1ccc(-c2nnc([C@H]3C[C@@H]3c3ccccc3)o2)c(O)c1O ZINC001254512670 1106089047 /nfs/dbraw/zinc/08/90/47/1106089047.db2.gz KNYMFMOXTCWMDY-NEPJUHHUSA-N 0 0 310.309 3.125 20 10 DGCDRN C=C/C=C\CCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC001254871973 1106151750 /nfs/dbraw/zinc/15/17/50/1106151750.db2.gz NGTYETRLGOFSGT-ARJAWSKDSA-N 0 0 300.402 3.203 20 10 DGCDRN C[C@@H](NC(=O)N1CC2CCC1CC2)c1ccc(N(C)C)cc1 ZINC001255140570 1106189259 /nfs/dbraw/zinc/18/92/59/1106189259.db2.gz QDYKXHUAIZKWJP-TUBUQKNSSA-N 0 0 301.434 3.398 20 10 DGCDRN CC(C)c1ccc(S(=O)(=O)Nc2ccc(O)c(F)c2)cc1 ZINC001255323604 1106221560 /nfs/dbraw/zinc/22/15/60/1106221560.db2.gz QMWNCEIMLXXOOO-UHFFFAOYSA-N 0 0 309.362 3.456 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NC[C@@]23C[C@@H]2CCCC3)cc1 ZINC001255449664 1106251606 /nfs/dbraw/zinc/25/16/06/1106251606.db2.gz ULETZTMUQGAQRU-QFBILLFUSA-N 0 0 315.461 3.474 20 10 DGCDRN C[C@@H](NS(=O)(=O)c1ccccc1Cl)c1ccccc1O ZINC001256347419 1106407782 /nfs/dbraw/zinc/40/77/82/1106407782.db2.gz WBHYNJLZDSUCCV-SNVBAGLBSA-N 0 0 311.790 3.085 20 10 DGCDRN COc1ccc(CNC(=O)NC[C@@H]2C[C@H]2C2CCCC2)c(O)c1 ZINC001256435445 1106422412 /nfs/dbraw/zinc/42/24/12/1106422412.db2.gz FVSLAOYOLZMWCM-HOCLYGCPSA-N 0 0 318.417 3.026 20 10 DGCDRN O=C(c1ccco1)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256932046 1106513979 /nfs/dbraw/zinc/51/39/79/1106513979.db2.gz YLMBNTZUWXZSQA-UHFFFAOYSA-N 0 0 305.293 3.351 20 10 DGCDRN Cc1cnncc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256978335 1106519672 /nfs/dbraw/zinc/51/96/72/1106519672.db2.gz GAQMNMOZVMEWIH-UHFFFAOYSA-N 0 0 303.325 3.293 20 10 DGCDRN O=C(NCCc1c(F)cccc1Cl)NCc1ccccc1O ZINC001320025876 1106794069 /nfs/dbraw/zinc/79/40/69/1106794069.db2.gz MVUDOKMNKMFERA-UHFFFAOYSA-N 0 0 322.767 3.227 20 10 DGCDRN NC(=O)NCc1ccc(NCc2ccc(N3CCCC3)cc2)cc1 ZINC001320409411 1106997362 /nfs/dbraw/zinc/99/73/62/1106997362.db2.gz RRSKFPGJARVEFZ-UHFFFAOYSA-N 0 0 324.428 3.067 20 10 DGCDRN Cc1nc(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)sc1C ZINC001320441937 1107008533 /nfs/dbraw/zinc/00/85/33/1107008533.db2.gz ZJYSRSBLJAFCBW-GFCCVEGCSA-N 0 0 317.458 3.246 20 10 DGCDRN CCOc1ncccc1C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC001321024309 1107225828 /nfs/dbraw/zinc/22/58/28/1107225828.db2.gz RYSAETMPGKVXIE-JTQLQIEISA-N 0 0 308.328 3.315 20 10 DGCDRN Cc1c(C)c(NS(=O)(=O)Cc2ccccc2F)ccc1O ZINC001260627587 1107286663 /nfs/dbraw/zinc/28/66/63/1107286663.db2.gz QCKXVTOQXNRXDO-UHFFFAOYSA-N 0 0 309.362 3.090 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1(CF)CCC1 ZINC001261496699 1107448340 /nfs/dbraw/zinc/44/83/40/1107448340.db2.gz ZSNPBJFCHJIEOO-CQSZACIVSA-N 0 0 306.425 3.248 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@H](C)c2cc(C)oc2C)ccc1[N+](=O)[O-] ZINC001322149844 1107546057 /nfs/dbraw/zinc/54/60/57/1107546057.db2.gz PAMXPVGRRUKXIT-SNVBAGLBSA-N 0 0 320.345 3.370 20 10 DGCDRN CCN(C)c1ccc(Cn2cc(C(=O)C(C)(C)C)nn2)cc1 ZINC001262027199 1107583148 /nfs/dbraw/zinc/58/31/48/1107583148.db2.gz VQFMMXKBRBOKBP-UHFFFAOYSA-N 0 0 300.406 3.011 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC001262111702 1107622987 /nfs/dbraw/zinc/62/29/87/1107622987.db2.gz NIJWKPQQFVUEOQ-UHFFFAOYSA-N 0 0 317.335 3.423 20 10 DGCDRN COc1ccc(C)cc1[C@@H](C)NC(=O)NCc1ccc(N)cc1 ZINC001262597363 1107733846 /nfs/dbraw/zinc/73/38/46/1107733846.db2.gz MDWGHJMEGRYWHK-CYBMUJFWSA-N 0 0 313.401 3.146 20 10 DGCDRN Nc1ccc(CNC(=O)N2CCCCC[C@@H]2c2ccncc2)cc1 ZINC001262603333 1107735774 /nfs/dbraw/zinc/73/57/74/1107735774.db2.gz FNJLKBJYYMYAFG-GOSISDBHSA-N 0 0 324.428 3.491 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cn(CCC)nc1C ZINC001262613463 1107741158 /nfs/dbraw/zinc/74/11/58/1107741158.db2.gz GVUVNPZHSJKYGM-UHFFFAOYSA-N 0 0 315.417 3.360 20 10 DGCDRN CCCn1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)n1 ZINC001262619030 1107744611 /nfs/dbraw/zinc/74/46/11/1107744611.db2.gz MZKGAYLVWJVRTO-ZDUSSCGKSA-N 0 0 314.433 3.159 20 10 DGCDRN C[C@H]1CCc2nc(NC(=O)NCc3ccccc3O)sc2C1 ZINC001318221945 1107905966 /nfs/dbraw/zinc/90/59/66/1107905966.db2.gz YEYQETYABRKGNR-JTQLQIEISA-N 0 0 317.414 3.295 20 10 DGCDRN Fc1cccc(NC(=S)NCc2ccc(Cl)cn2)c1F ZINC001323476610 1107985446 /nfs/dbraw/zinc/98/54/46/1107985446.db2.gz WPUJVIUERXXUOR-UHFFFAOYSA-N 0 0 313.760 3.500 20 10 DGCDRN O=C(CCNc1ccccc1)NCCCSc1nccs1 ZINC001318552499 1108091579 /nfs/dbraw/zinc/09/15/79/1108091579.db2.gz GDNHSOGIPRYNCM-UHFFFAOYSA-N 0 0 321.471 3.244 20 10 DGCDRN COc1cccc(CNC(=O)NC[C@@H]2C[C@@H]2C2CCCC2)c1O ZINC001263780180 1108199174 /nfs/dbraw/zinc/19/91/74/1108199174.db2.gz YDBMNWMQAWWUKK-LSDHHAIUSA-N 0 0 318.417 3.026 20 10 DGCDRN C[C@H](C(=O)N(C)Cc1ccccc1O)c1ccc(F)cc1F ZINC001318895018 1108230710 /nfs/dbraw/zinc/23/07/10/1108230710.db2.gz VYHZFVYNUJJBDR-NSHDSACASA-N 0 0 305.324 3.433 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cnoc1C1CC1 ZINC001319342993 1108421754 /nfs/dbraw/zinc/42/17/54/1108421754.db2.gz XZMANCPLQCBFHQ-UHFFFAOYSA-N 0 0 312.369 3.066 20 10 DGCDRN CCOc1ccc(CN(C)Cc2cc(C(C)(C)C)n[nH]2)c(O)c1 ZINC001324759903 1108455077 /nfs/dbraw/zinc/45/50/77/1108455077.db2.gz VKBOTRBQYGAHAC-UHFFFAOYSA-N 0 0 317.433 3.444 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1C[C@@H]1C(F)F ZINC001264287381 1108455417 /nfs/dbraw/zinc/45/54/17/1108455417.db2.gz UZGMTTWJZBCUMB-GJZGRUSLSA-N 0 0 308.372 3.146 20 10 DGCDRN COc1cc(/C=C2/SC(N3CCCCC3)=NC2=O)ccc1F ZINC001319477414 1108486177 /nfs/dbraw/zinc/48/61/77/1108486177.db2.gz AQNHAJQUFVBRED-GXDHUFHOSA-N 0 0 320.389 3.291 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)CC(=O)OC(C)(C)C)c1cc(F)cc(F)c1[O-] ZINC001325357008 1108630708 /nfs/dbraw/zinc/63/07/08/1108630708.db2.gz NGSWMWPVZHEFOO-VHSXEESVSA-N 0 0 315.360 3.441 20 10 DGCDRN Cc1ncccc1/C=C/C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC001264967195 1108685434 /nfs/dbraw/zinc/68/54/34/1108685434.db2.gz COFBTBJOUNITSR-VQHVLOKHSA-N 0 0 323.352 3.291 20 10 DGCDRN Cn1cnc(/C=C/C(=O)N(Cc2cscn2)c2ccccc2)c1 ZINC001265128822 1108743474 /nfs/dbraw/zinc/74/34/74/1108743474.db2.gz RLVAYVLWYHHCJD-BQYQJAHWSA-N 0 0 324.409 3.123 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H]1C1CCCCC1 ZINC001291756624 1110275461 /nfs/dbraw/zinc/27/54/61/1110275461.db2.gz MSEPBYPQEQSJKV-OAHLLOKOSA-N 0 0 303.402 3.212 20 10 DGCDRN CC[C@@H](C[C@@H](C)O)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001302687763 1111121650 /nfs/dbraw/zinc/12/16/50/1111121650.db2.gz ISYPAZSIQGPRKC-WBVHZDCISA-N 0 0 314.429 3.373 20 10 DGCDRN Cc1cc(Cl)cc(C(=O)N2Cc3cccc(O)c3C2)c1N ZINC001302787629 1111125388 /nfs/dbraw/zinc/12/53/88/1111125388.db2.gz PWYQKZHIJAFQCR-UHFFFAOYSA-N 0 0 302.761 3.092 20 10 DGCDRN Cc1ccc(C(=O)N(C)Cc2ccc3cc[nH]c3c2)c(O)c1O ZINC001302877479 1111127473 /nfs/dbraw/zinc/12/74/73/1111127473.db2.gz LMNUUDUOHKCMRX-UHFFFAOYSA-N 0 0 310.353 3.160 20 10 DGCDRN Cc1cc(C(=O)NCc2cc(O)ccc2O)c(C)cc1Cl ZINC001303225881 1111137217 /nfs/dbraw/zinc/13/72/17/1111137217.db2.gz QMCZXPCWZNBJID-UHFFFAOYSA-N 0 0 305.761 3.298 20 10 DGCDRN CCOc1ncccc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001304089889 1111166050 /nfs/dbraw/zinc/16/60/50/1111166050.db2.gz PLYUJEYVMARWMZ-UHFFFAOYSA-N 0 0 322.364 3.269 20 10 DGCDRN CC(C)(C)c1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cn1 ZINC001304631537 1111178869 /nfs/dbraw/zinc/17/88/69/1111178869.db2.gz FAHVCETYGGDLPG-UITAMQMPSA-N 0 0 312.369 3.442 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC2(CC2)Oc2ccccc21 ZINC001304758741 1111181419 /nfs/dbraw/zinc/18/14/19/1111181419.db2.gz ZRWWZZWXHXTFLP-SOFGYWHQSA-N 0 0 323.348 3.069 20 10 DGCDRN C[C@H]1C[C@H]1Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O ZINC001304952956 1111189463 /nfs/dbraw/zinc/18/94/63/1111189463.db2.gz XCNHOVISQOKBLL-WFASDCNBSA-N 0 0 312.417 3.154 20 10 DGCDRN Cc1cn(C)nc1CN1CCCc2cc(OC(F)F)ccc21 ZINC001307537460 1111312415 /nfs/dbraw/zinc/31/24/15/1111312415.db2.gz WAPVPTAUSSOKEY-UHFFFAOYSA-N 0 0 307.344 3.283 20 10 DGCDRN COc1ccc(N(C)C[Si](C)(C)c2ccccc2)c(OC)c1 ZINC001307596858 1111318477 /nfs/dbraw/zinc/31/84/77/1111318477.db2.gz DFUAHPHMROSCRD-UHFFFAOYSA-N 0 0 315.489 3.295 20 10 DGCDRN C[C@@H](NCc1nnc(-c2cccc(F)c2)o1)c1ccccc1O ZINC001308009927 1111365035 /nfs/dbraw/zinc/36/50/35/1111365035.db2.gz HMWJJWMUNRPNKA-LLVKDONJSA-N 0 0 313.332 3.432 20 10 DGCDRN O=C1NCCc2c(NCc3c(O)ccc(Cl)c3F)cccc21 ZINC001308435104 1111428937 /nfs/dbraw/zinc/42/89/37/1111428937.db2.gz GLGJLBGVNQBAKX-UHFFFAOYSA-N 0 0 320.751 3.083 20 10 DGCDRN CC(=O)N(C)c1ccc(NCc2c(O)cccc2Cl)cn1 ZINC001308441685 1111429414 /nfs/dbraw/zinc/42/94/14/1111429414.db2.gz OJVPOVYHOPHIKA-UHFFFAOYSA-N 0 0 305.765 3.035 20 10 DGCDRN CC(C)(C)c1cc(CNCc2nc[nH]n2)c(O)c(C(C)(C)C)c1 ZINC001308558897 1111443629 /nfs/dbraw/zinc/44/36/29/1111443629.db2.gz RFSLGVFMDDKZLV-UHFFFAOYSA-N 0 0 316.449 3.395 20 10 DGCDRN COc1cc(C)cc(CNc2cccc(-c3n[nH]c(C)n3)c2)c1O ZINC001308632138 1111453409 /nfs/dbraw/zinc/45/34/09/1111453409.db2.gz DEHKWFLMXUCOTD-UHFFFAOYSA-N 0 0 324.384 3.415 20 10 DGCDRN C[N@H+](CCOc1ccc(F)cc1)Cc1cc(F)c(F)cc1[O-] ZINC001308653363 1111455601 /nfs/dbraw/zinc/45/56/01/1111455601.db2.gz BNGCQUDJWWUSTI-UHFFFAOYSA-N 0 0 311.303 3.320 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC001308764446 1111471651 /nfs/dbraw/zinc/47/16/51/1111471651.db2.gz JFLRGIAIRVTASQ-SJKOYZFVSA-N 0 0 320.339 3.075 20 10 DGCDRN Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cccc(F)c3[O-])C2)cc1 ZINC001308911642 1111492978 /nfs/dbraw/zinc/49/29/78/1111492978.db2.gz JARQRXONOBIVAK-QGZVFWFLSA-N 0 0 314.404 3.204 20 10 DGCDRN O=C1CC[C@H](c2ccccc2NCc2cc(F)ccc2O)N1 ZINC001308923346 1111494336 /nfs/dbraw/zinc/49/43/36/1111494336.db2.gz UIJJREXLMJUQHM-OAHLLOKOSA-N 0 0 300.333 3.095 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cc(F)c(F)cc1[O-])[C@H](O)c1ccccc1 ZINC001308931839 1111495863 /nfs/dbraw/zinc/49/58/63/1111495863.db2.gz VQIDDMLZZZFJHG-NVXWUHKLSA-N 0 0 307.340 3.272 20 10 DGCDRN COC(=O)/C=C\c1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])o1 ZINC001308974759 1111503212 /nfs/dbraw/zinc/50/32/12/1111503212.db2.gz KQBHAPZSSDWWRD-FPLPWBNLSA-N 0 0 321.760 3.115 20 10 DGCDRN O=c1[nH]c2ccccc2cc1C[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001308986591 1111505944 /nfs/dbraw/zinc/50/59/44/1111505944.db2.gz OLEQOHDEQDOJNS-UHFFFAOYSA-N 0 0 316.307 3.214 20 10 DGCDRN CCc1csc(NC(=O)NCc2cc(Cl)ccc2O)n1 ZINC001310864999 1111574318 /nfs/dbraw/zinc/57/43/18/1111574318.db2.gz RHGNKZNJDBOEIZ-UHFFFAOYSA-N 0 0 311.794 3.386 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H](C)[C@H]2CCC[C@@H](C)C2)c(O)c1 ZINC001312874549 1111679094 /nfs/dbraw/zinc/67/90/94/1111679094.db2.gz UABUTYXTCCNAHD-RDBSUJKOSA-N 0 0 320.433 3.415 20 10 DGCDRN CC(C)([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1cccc(F)c1 ZINC000076901873 185052821 /nfs/dbraw/zinc/05/28/21/185052821.db2.gz YGYRDBYIXCRIDH-UHFFFAOYSA-N 0 0 304.321 3.464 20 10 DGCDRN Cc1cnc([C@@H](C)NC(=O)N(C)Cc2ccccc2O)s1 ZINC000079081428 185155025 /nfs/dbraw/zinc/15/50/25/185155025.db2.gz POFNHPVVSNLYGW-LLVKDONJSA-N 0 0 305.403 3.060 20 10 DGCDRN CC[C@@H](C)[C@@H](OC)C(=O)NCc1c(C)c2ccccc2n1C ZINC000357144357 529405341 /nfs/dbraw/zinc/40/53/41/529405341.db2.gz AOIHDRJGQTXKGQ-SJKOYZFVSA-N 0 0 302.418 3.164 20 10 DGCDRN COCCN(Cc1csc(C)n1)c1ccc(OC)c(OC)c1 ZINC000083212512 185219857 /nfs/dbraw/zinc/21/98/57/185219857.db2.gz GMUBVQWARUHJGU-UHFFFAOYSA-N 0 0 322.430 3.122 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)CCC(=O)c2ccccc2)cc1 ZINC000060678848 529779973 /nfs/dbraw/zinc/77/99/73/529779973.db2.gz MSYJCVYHJTWQSA-UHFFFAOYSA-N 0 0 324.424 3.374 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(F)ccc1F ZINC000173198171 529786185 /nfs/dbraw/zinc/78/61/85/529786185.db2.gz CWTMBHSFZNLPPD-UHFFFAOYSA-N 0 0 318.323 3.070 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1CCC(F)(F)CC1 ZINC000136843620 282295281 /nfs/dbraw/zinc/29/52/81/282295281.db2.gz OXWRHQLQWRWPTH-UHFFFAOYSA-N 0 0 324.371 3.304 20 10 DGCDRN Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000180640963 529994093 /nfs/dbraw/zinc/99/40/93/529994093.db2.gz BRSMTQTYQLGGPA-AWEZNQCLSA-N 0 0 305.809 3.289 20 10 DGCDRN CCc1nnc(CN2CCCc3cc(OC(F)F)ccc32)o1 ZINC000065597402 432012879 /nfs/dbraw/zinc/01/28/79/432012879.db2.gz QTIBCTSZYUWEOS-UHFFFAOYSA-N 0 0 309.316 3.186 20 10 DGCDRN CC(C)CO[C@@H](C)c1noc(CN(C)Cc2ccccc2O)n1 ZINC000072517866 191186644 /nfs/dbraw/zinc/18/66/44/191186644.db2.gz RBXMYLYVELLWSN-ZDUSSCGKSA-N 0 0 319.405 3.141 20 10 DGCDRN COc1ccc(N(CC(=O)NC2CC2)Cc2cccs2)cc1 ZINC000072982620 191265476 /nfs/dbraw/zinc/26/54/76/191265476.db2.gz GUEIGVFDFSGLGX-UHFFFAOYSA-N 0 0 316.426 3.042 20 10 DGCDRN Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(C)c(O)c2O)s1 ZINC000179485870 432060645 /nfs/dbraw/zinc/06/06/45/432060645.db2.gz BICAIUDSZFLONO-JTQLQIEISA-N 0 0 320.414 3.313 20 10 DGCDRN CC1(C)CN(C(=O)c2cccc(O)c2O)[C@@H]1c1cccs1 ZINC000288477623 535350208 /nfs/dbraw/zinc/35/02/08/535350208.db2.gz CDRXUSWFOKHQKL-CQSZACIVSA-N 0 0 303.383 3.383 20 10 DGCDRN COc1cccc(CNC(=O)[C@H]2C[C@H]2c2sccc2C)c1O ZINC000133593962 432067951 /nfs/dbraw/zinc/06/79/51/432067951.db2.gz YNWPWYSUDZLJBI-OLZOCXBDSA-N 0 0 317.410 3.191 20 10 DGCDRN CCCc1cc(C(=O)NCc2ccc(O)c(O)c2)sc1C ZINC000272318758 535391805 /nfs/dbraw/zinc/39/18/05/535391805.db2.gz JYXZOTLZQBUJIG-UHFFFAOYSA-N 0 0 305.399 3.350 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1cccc(F)n1 ZINC000134232108 432074935 /nfs/dbraw/zinc/07/49/35/432074935.db2.gz DLBMIIONTFMDRO-UHFFFAOYSA-N 0 0 315.348 3.127 20 10 DGCDRN CCCNC(=O)C[NH2+][C@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000286795423 283371628 /nfs/dbraw/zinc/37/16/28/283371628.db2.gz AAYYNMZSVDRBKP-GFCCVEGCSA-N 0 0 319.232 3.266 20 10 DGCDRN CCC(CC)(CCO)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273566031 534919187 /nfs/dbraw/zinc/91/91/87/534919187.db2.gz JOABBSLMFJAJCJ-GFCCVEGCSA-N 0 0 310.394 3.140 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(OC)ccc1O ZINC000170732088 432078718 /nfs/dbraw/zinc/07/87/18/432078718.db2.gz QNUPYZXDRODCIS-UHFFFAOYSA-N 0 0 315.369 3.159 20 10 DGCDRN C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000187720107 299312101 /nfs/dbraw/zinc/31/21/01/299312101.db2.gz YMWMBMGAXJWPAZ-APPDUMDISA-N 0 0 307.340 3.229 20 10 DGCDRN Cc1cc(C(=O)N2CCCO[C@H](C)C2)c(C)n1-c1ccccc1 ZINC000171012409 432094732 /nfs/dbraw/zinc/09/47/32/432094732.db2.gz OZNBHCFJSWBNGY-OAHLLOKOSA-N 0 0 312.413 3.345 20 10 DGCDRN C[C@H]([NH2+]Cc1nccn1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278629042 299324599 /nfs/dbraw/zinc/32/45/99/299324599.db2.gz GRRKBXGQPRLKIN-QMMMGPOBSA-N 0 0 300.189 3.283 20 10 DGCDRN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccccc1N ZINC000006859024 181398299 /nfs/dbraw/zinc/39/82/99/181398299.db2.gz SPXZELRZSRBMAH-UHFFFAOYSA-N 0 0 320.414 3.207 20 10 DGCDRN COc1cc(N(C)C/C(Cl)=C/Cl)cc(OC)c1OC ZINC000128715783 522619023 /nfs/dbraw/zinc/61/90/23/522619023.db2.gz DRYDJSOTJBEKGA-CLFYSBASSA-N 0 0 306.189 3.468 20 10 DGCDRN Cc1cc(C(=O)NCc2ccc(O)cc2O)c(C)cc1Cl ZINC001626837851 1194097567 /nfs/dbraw/zinc/09/75/67/1194097567.db2.gz HABTUWSXPFUARW-UHFFFAOYSA-N 0 0 305.761 3.298 20 10 DGCDRN C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(F)c(F)c1[O-] ZINC000191207309 296114509 /nfs/dbraw/zinc/11/45/09/296114509.db2.gz KTSFJNNZVJLPOC-SNVBAGLBSA-N 0 0 313.344 3.007 20 10 DGCDRN C[C@@H]([NH2+]C1CCN(C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192617637 296114767 /nfs/dbraw/zinc/11/47/67/296114767.db2.gz VMNIVDUKJBYNEO-SECBINFHSA-N 0 0 303.233 3.444 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1CSCCS1)c1ccc(F)c(F)c1[O-] ZINC000187752761 296129786 /nfs/dbraw/zinc/12/97/86/296129786.db2.gz XCRRPUDTBBABCZ-RKDXNWHRSA-N 0 0 305.415 3.170 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc(F)c(F)c1[O-] ZINC000276972987 296133702 /nfs/dbraw/zinc/13/37/02/296133702.db2.gz ULSZQIZZWAPDOX-MNOVXSKESA-N 0 0 313.344 3.007 20 10 DGCDRN CC(=O)c1cc(F)cc(CN(Cc2ccncc2)C2CC2)c1O ZINC000093221347 193218631 /nfs/dbraw/zinc/21/86/31/193218631.db2.gz LMMNVZXBSPNYEK-UHFFFAOYSA-N 0 0 314.360 3.294 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])c1ncnn1C ZINC000276634590 296150315 /nfs/dbraw/zinc/15/03/15/296150315.db2.gz OBZRRQHXPMKTBH-JGVFFNPUSA-N 0 0 315.204 3.239 20 10 DGCDRN Cc1ccncc1N(C)C(=O)/C=C/c1ccccc1-n1cccn1 ZINC000492048871 245620709 /nfs/dbraw/zinc/62/07/09/245620709.db2.gz SESHAJQIRVXOBA-CMDGGOBGSA-N 0 0 318.380 3.252 20 10 DGCDRN Cc1ccc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000017069730 182075107 /nfs/dbraw/zinc/07/51/07/182075107.db2.gz OOYYXZGZYKSVSA-UHFFFAOYSA-N 0 0 311.429 3.403 20 10 DGCDRN Cn1ccc(/C=C/C(=O)N2CCC[C@@H](O)c3cc(F)ccc32)c1 ZINC000493730941 246051355 /nfs/dbraw/zinc/05/13/55/246051355.db2.gz YWZAZZOSXAIYCX-BBOMDTFKSA-N 0 0 314.360 3.038 20 10 DGCDRN CO[C@H]1Cc2ccccc2N(C(=O)/C=C/c2cccnc2C)C1 ZINC000493796655 246070006 /nfs/dbraw/zinc/07/00/06/246070006.db2.gz WRRJFHWNMODEQR-FVNWOWOISA-N 0 0 308.381 3.008 20 10 DGCDRN COc1cncc(/C=C\C(=O)N(C)c2c(F)cccc2F)c1 ZINC000493817214 246075757 /nfs/dbraw/zinc/07/57/57/246075757.db2.gz IAGIZEKLWGOIRP-SREVYHEPSA-N 0 0 304.296 3.045 20 10 DGCDRN Nc1ccc(CCNC(=O)c2cc3c(s2)CCCC3)cc1 ZINC000040675659 183116529 /nfs/dbraw/zinc/11/65/29/183116529.db2.gz CVFXPJFBPTVNCM-UHFFFAOYSA-N 0 0 300.427 3.182 20 10 DGCDRN CC1(C)[C@H](CNC(=O)NCc2cc(Cl)ccc2O)C1(F)F ZINC000852628738 620635839 /nfs/dbraw/zinc/63/58/39/620635839.db2.gz UTYSCPPWTDFTRE-NSHDSACASA-N 0 0 318.751 3.136 20 10 DGCDRN CC[C@@H](NC(=O)N(C)Cc1ccccc1O)c1nc(C)cs1 ZINC000105306286 194095123 /nfs/dbraw/zinc/09/51/23/194095123.db2.gz DLXURERNXBIIRK-CYBMUJFWSA-N 0 0 319.430 3.450 20 10 DGCDRN COCC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccco1 ZINC000273409197 285172402 /nfs/dbraw/zinc/17/24/02/285172402.db2.gz HMLVJEMAQVGPDV-FZMZJTMJSA-N 0 0 320.345 3.322 20 10 DGCDRN Cc1ccc(C(=O)Nc2c[nH]nc2-c2ccccc2)c(O)c1O ZINC000182848349 533605787 /nfs/dbraw/zinc/60/57/87/533605787.db2.gz GTWHWNPPAVYJFW-UHFFFAOYSA-N 0 0 309.325 3.049 20 10 DGCDRN Cc1ccc(C(=O)Nc2cccc(-c3nccn3C)c2)c(O)c1O ZINC000179439108 533611684 /nfs/dbraw/zinc/61/16/84/533611684.db2.gz LIJJHRKLNCQOHA-UHFFFAOYSA-N 0 0 323.352 3.059 20 10 DGCDRN C[C@@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273388110 130115720 /nfs/dbraw/zinc/11/57/20/130115720.db2.gz DELXEWBNAAUWLU-UPJWGTAASA-N 0 0 308.378 3.156 20 10 DGCDRN Cc1noc(C)c1[C@@H](C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273496182 130129800 /nfs/dbraw/zinc/12/98/00/130129800.db2.gz PEJVTMLHTUZNDV-VHSXEESVSA-N 0 0 319.361 3.360 20 10 DGCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2cnn(CC(C)C)c2)c1 ZINC000273510386 130130700 /nfs/dbraw/zinc/13/07/00/130130700.db2.gz RSAWIBKCVAMCMJ-LBPRGKRZSA-N 0 0 317.389 3.204 20 10 DGCDRN COCCC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000273557712 130137372 /nfs/dbraw/zinc/13/73/72/130137372.db2.gz HFOLZFONZNXHKB-LBPRGKRZSA-N 0 0 308.378 3.158 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)c1cnn(C)c1 ZINC000273578035 130140065 /nfs/dbraw/zinc/14/00/65/130140065.db2.gz MCZIFSZRZKGJKO-ZJUUUORDSA-N 0 0 324.222 3.300 20 10 DGCDRN COC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(C)o1 ZINC000273610916 130144072 /nfs/dbraw/zinc/14/40/72/130144072.db2.gz VTVFBHRIDKKGAY-SMDDNHRTSA-N 0 0 320.345 3.240 20 10 DGCDRN COCc1nc(CN[C@@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000274798555 130262331 /nfs/dbraw/zinc/26/23/31/130262331.db2.gz OBAMAXFAUWIRCI-LBPRGKRZSA-N 0 0 305.447 3.206 20 10 DGCDRN CC(C)c1cccc(N(C)C(=O)c2c[nH]nc2-c2cnn(C)c2)c1 ZINC000275496282 130327915 /nfs/dbraw/zinc/32/79/15/130327915.db2.gz LOVZOGRFTLXQOD-UHFFFAOYSA-N 0 0 323.400 3.210 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cc(C2CC2)no1 ZINC000281934807 130893109 /nfs/dbraw/zinc/89/31/09/130893109.db2.gz KQTFYYOYLPCIMC-UHFFFAOYSA-N 0 0 312.369 3.066 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)CSC ZINC000283730667 131017199 /nfs/dbraw/zinc/01/71/99/131017199.db2.gz XHIMRMXIRMYYTC-CYBMUJFWSA-N 0 0 310.463 3.455 20 10 DGCDRN Cc1oc(C(C)C)nc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000285017223 131131707 /nfs/dbraw/zinc/13/17/07/131131707.db2.gz ANMQXNHPAANFOQ-UHFFFAOYSA-N 0 0 319.380 3.242 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H](O)c1ccc(OC)cc1)c1ccc(F)cc1[O-] ZINC000285811583 131203444 /nfs/dbraw/zinc/20/34/44/131203444.db2.gz VVSITTMKXJSASW-AEFFLSMTSA-N 0 0 319.376 3.314 20 10 DGCDRN CC[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1ccc(F)cc1[O-] ZINC000285977021 131213434 /nfs/dbraw/zinc/21/34/34/131213434.db2.gz HLMUUMNZGMDINM-ZUOKHONESA-N 0 0 301.427 3.119 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc(F)cc1[O-] ZINC000286337734 131231258 /nfs/dbraw/zinc/23/12/58/131231258.db2.gz YRAWWVKVDLVCAA-HIFRSBDPSA-N 0 0 309.381 3.258 20 10 DGCDRN CC[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000286356690 131232217 /nfs/dbraw/zinc/23/22/17/131232217.db2.gz ZMJLRWZNJAUHID-HZPDHXFCSA-N 0 0 307.340 3.445 20 10 DGCDRN COCC(C)(C)CCC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000287257476 131270792 /nfs/dbraw/zinc/27/07/92/131270792.db2.gz ZXQICRBHBMZOAE-ZDUSSCGKSA-N 0 0 323.433 3.282 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H]1CCc2nccn2C1)c1ccc(F)cc1[O-] ZINC000287675877 131294326 /nfs/dbraw/zinc/29/43/26/131294326.db2.gz VZPUOQPYEZOQOV-IUODEOHRSA-N 0 0 303.381 3.031 20 10 DGCDRN CC[C@H]([NH2+]CCN(C)CCCOC)c1cccc(Cl)c1[O-] ZINC000287841281 131302591 /nfs/dbraw/zinc/30/25/91/131302591.db2.gz WFVRVNOWZABFCJ-HNNXBMFYSA-N 0 0 314.857 3.055 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C)CN1CCCC1=O)c1cccc(Cl)c1[O-] ZINC000287847334 131302670 /nfs/dbraw/zinc/30/26/70/131302670.db2.gz WOVZGFHVUPUFOE-FZMZJTMJSA-N 0 0 310.825 3.097 20 10 DGCDRN C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)C(F)(F)F ZINC000288718653 131337318 /nfs/dbraw/zinc/33/73/18/131337318.db2.gz YLSRLDRWZLCERI-SECBINFHSA-N 0 0 316.323 3.021 20 10 DGCDRN CCCN(Cc1ccccc1O)c1c([N+](=O)[O-])nc(C)n1CC ZINC000288783009 131338793 /nfs/dbraw/zinc/33/87/93/131338793.db2.gz FIAHPXNZFIGCCI-UHFFFAOYSA-N 0 0 318.377 3.242 20 10 DGCDRN Cc1ccc(CCC(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000289407218 131384162 /nfs/dbraw/zinc/38/41/62/131384162.db2.gz UILFWIMOSZPSHQ-UHFFFAOYSA-N 0 0 302.443 3.372 20 10 DGCDRN CC(=O)C(=O)CSc1nnc(-c2ccc(C(C)C)cc2)o1 ZINC000289518144 131392541 /nfs/dbraw/zinc/39/25/41/131392541.db2.gz CXZUAZXSROWMNZ-UHFFFAOYSA-N 0 0 304.371 3.110 20 10 DGCDRN OCCCOc1ccc(NCc2cccc(Cl)c2O)cc1 ZINC000289532342 131393409 /nfs/dbraw/zinc/39/34/09/131393409.db2.gz HRMRDUIJQSXXCJ-UHFFFAOYSA-N 0 0 307.777 3.419 20 10 DGCDRN Cc1nc(C2CC2)ccc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000294314342 131822562 /nfs/dbraw/zinc/82/25/62/131822562.db2.gz HCVKRQVVDWHULN-UHFFFAOYSA-N 0 0 309.413 3.263 20 10 DGCDRN COc1ccc(N[C@@H]2CCc3cccc(O)c32)cc1NC(C)=O ZINC000296638810 131978433 /nfs/dbraw/zinc/97/84/33/131978433.db2.gz CRYNOZGVJPCUMS-CQSZACIVSA-N 0 0 312.369 3.459 20 10 DGCDRN Cc1nc(CC(C)C)c(C(=O)NCc2ccc(N)cc2)s1 ZINC000297251735 132005761 /nfs/dbraw/zinc/00/57/61/132005761.db2.gz QQRFBUKPVBYYRZ-UHFFFAOYSA-N 0 0 303.431 3.162 20 10 DGCDRN COCc1cc(CN(Cc2ccc(N(C)C)cc2)C(C)C)no1 ZINC000297302988 132009009 /nfs/dbraw/zinc/00/90/09/132009009.db2.gz BJIMXYMHHVRMFX-UHFFFAOYSA-N 0 0 317.433 3.298 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1ccnnc1 ZINC000297517203 132020482 /nfs/dbraw/zinc/02/04/82/132020482.db2.gz XUTXGRPYJMJQRH-UHFFFAOYSA-N 0 0 300.362 3.016 20 10 DGCDRN CCC[C@@H](CNC(=O)N(CC)Cc1ccc(N(C)C)cc1)OC ZINC000297693210 132028891 /nfs/dbraw/zinc/02/88/91/132028891.db2.gz QQMBKUOTQKCWHV-KRWDZBQOSA-N 0 0 321.465 3.099 20 10 DGCDRN CCC[C@H](CNC(=O)N(CC)Cc1ccc(N(C)C)cc1)OC ZINC000297693213 132028960 /nfs/dbraw/zinc/02/89/60/132028960.db2.gz QQMBKUOTQKCWHV-QGZVFWFLSA-N 0 0 321.465 3.099 20 10 DGCDRN CC(C)[C@H](C)N(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000298679862 132073145 /nfs/dbraw/zinc/07/31/45/132073145.db2.gz KNSXZLMOQZSQJC-HNNXBMFYSA-N 0 0 303.450 3.473 20 10 DGCDRN C[C@@H](CNC(=O)N(C)Cc1ccccc1O)c1ccc(F)cc1 ZINC000299153380 132091521 /nfs/dbraw/zinc/09/15/21/132091521.db2.gz GOCGPQDYFPPDSP-ZDUSSCGKSA-N 0 0 316.376 3.476 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CCc2ccsc2)cc1F ZINC000299327312 132098824 /nfs/dbraw/zinc/09/88/24/132098824.db2.gz KUNMZUIPWIGPJI-UHFFFAOYSA-N 0 0 306.406 3.202 20 10 DGCDRN CCN(CC)c1ccc(CNc2ccc(CC(N)=O)cc2)cc1 ZINC000122195484 132162869 /nfs/dbraw/zinc/16/28/69/132162869.db2.gz LXKLTYMWDGFECQ-UHFFFAOYSA-N 0 0 311.429 3.173 20 10 DGCDRN COCc1cc([N+](=O)[O-])ccc1NCc1cccc(OC)c1O ZINC000091479400 400123125 /nfs/dbraw/zinc/12/31/25/400123125.db2.gz QTQRFSNGJFPRCU-UHFFFAOYSA-N 0 0 318.329 3.068 20 10 DGCDRN C[C@@H](CCc1ccco1)NC(=O)N(C)Cc1ccccc1O ZINC000043725356 400476677 /nfs/dbraw/zinc/47/66/77/400476677.db2.gz NZWAKBJWUBYMJB-ZDUSSCGKSA-N 0 0 302.374 3.148 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NCc2ccsc2)cc1 ZINC000046038497 400546234 /nfs/dbraw/zinc/54/62/34/400546234.db2.gz UFRXGLFHYRHMLH-UHFFFAOYSA-N 0 0 303.431 3.156 20 10 DGCDRN CCO[C@@H](C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000075883079 400616305 /nfs/dbraw/zinc/61/63/05/400616305.db2.gz HBNGOTLCGSPVNZ-HNNXBMFYSA-N 0 0 304.434 3.060 20 10 DGCDRN CCN(Cc1ncc(Cl)n1C)Cc1ccc(N(C)C)cc1 ZINC000053134329 400766671 /nfs/dbraw/zinc/76/66/71/400766671.db2.gz WBTDRFZIILHWDW-UHFFFAOYSA-N 0 0 306.841 3.162 20 10 DGCDRN OCCCSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000078415332 400798716 /nfs/dbraw/zinc/79/87/16/400798716.db2.gz XCOFPSQMBRJELJ-HNNXBMFYSA-N 0 0 318.442 3.204 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2ccc[nH]2)c1O ZINC000079400260 400862740 /nfs/dbraw/zinc/86/27/40/400862740.db2.gz XJHMJQAAMQPDTH-MRXNPFEDSA-N 0 0 302.349 3.399 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)C3CCCCC3)CC2)cc1 ZINC000055877518 400898194 /nfs/dbraw/zinc/89/81/94/400898194.db2.gz JFYGYIKARVAZRP-UHFFFAOYSA-N 0 0 316.445 3.314 20 10 DGCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C2CCC2)cc1 ZINC000057512328 401010123 /nfs/dbraw/zinc/01/01/23/401010123.db2.gz CQIUBRDRDFLRBI-SFHVURJKSA-N 0 0 316.445 3.060 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N(C)Cc2cccs2)cc1F ZINC000057647985 401016655 /nfs/dbraw/zinc/01/66/55/401016655.db2.gz ITBUJLAPARSRBN-UHFFFAOYSA-N 0 0 321.421 3.295 20 10 DGCDRN CCn1nc(C)c(C=C2SC(NC3CCCC3)=NC2=O)c1C ZINC000060370901 401110897 /nfs/dbraw/zinc/11/08/97/401110897.db2.gz XORCPHUBGDHJPA-ZROIWOOFSA-N 0 0 318.446 3.022 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CCCCO1 ZINC000087204303 401186090 /nfs/dbraw/zinc/18/60/90/401186090.db2.gz YLNUHGOHVVESDM-KRWDZBQOSA-N 0 0 304.434 3.060 20 10 DGCDRN COc1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])ccc1C ZINC000273364234 286221895 /nfs/dbraw/zinc/22/18/95/286221895.db2.gz AZZPDFLFYSWRLD-LBPRGKRZSA-N 0 0 316.357 3.468 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CCc3ccccc3C2)cc1OC ZINC000271053808 286248732 /nfs/dbraw/zinc/24/87/32/286248732.db2.gz QOQAGNBOHKJLSE-UHFFFAOYSA-N 0 0 314.341 3.175 20 10 DGCDRN Cc1cccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1F ZINC000120901581 292418873 /nfs/dbraw/zinc/41/88/73/292418873.db2.gz ZGLRNDBURKRROW-UHFFFAOYSA-N 0 0 314.360 3.239 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H]1CCCN(C(C)=O)C1)c1cccc(Cl)c1[O-] ZINC000287102648 286910785 /nfs/dbraw/zinc/91/07/85/286910785.db2.gz QDNWWZOOCFJJKL-XJKSGUPXSA-N 0 0 324.852 3.345 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCOCC(F)F ZINC000190892570 432198961 /nfs/dbraw/zinc/19/89/61/432198961.db2.gz GWELRTUZMUTMOO-UHFFFAOYSA-N 0 0 300.132 3.070 20 10 DGCDRN COc1ccc(OCCSc2nccs2)c([N+](=O)[O-])c1 ZINC000150918884 432201941 /nfs/dbraw/zinc/20/19/41/432201941.db2.gz CTCJMCXBVGOJQM-UHFFFAOYSA-N 0 0 312.372 3.231 20 10 DGCDRN CC1=C(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCCO1 ZINC000270080018 432228278 /nfs/dbraw/zinc/22/82/78/432228278.db2.gz ZQSRHMHLEBPZBX-UHFFFAOYSA-N 0 0 314.429 3.328 20 10 DGCDRN Cc1ccc(C(=O)N2CCC(c3ccccc3)CC2)c(O)c1O ZINC000177668453 228333555 /nfs/dbraw/zinc/33/35/55/228333555.db2.gz SZDIPXIYICFYBY-UHFFFAOYSA-N 0 0 311.381 3.426 20 10 DGCDRN Cc1ccc(C(=O)N2CCC[C@H]2c2cccs2)c(O)c1O ZINC000177665807 228333961 /nfs/dbraw/zinc/33/39/61/228333961.db2.gz HZSKOESZUPLFDM-LBPRGKRZSA-N 0 0 303.383 3.445 20 10 DGCDRN Cc1ccc(C(=O)N2C[C@H](C)C[C@H]2c2cccnc2)c(O)c1O ZINC000184783246 228386411 /nfs/dbraw/zinc/38/64/11/228386411.db2.gz FPRJCETZCQSQOH-ABAIWWIYSA-N 0 0 312.369 3.025 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)N(C)CC3CC3)ccc21 ZINC000343193376 229122583 /nfs/dbraw/zinc/12/25/83/229122583.db2.gz CIMGTFXWRBBNDW-UHFFFAOYSA-N 0 0 314.429 3.387 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCSC(C)C ZINC000346287023 229166335 /nfs/dbraw/zinc/16/63/35/229166335.db2.gz KIUKSEZNEIGCRM-UHFFFAOYSA-N 0 0 319.474 3.428 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CC[C@H](F)C1 ZINC000346291972 229167221 /nfs/dbraw/zinc/16/72/21/229167221.db2.gz AALXANBOSVRYPM-QWHCGFSZSA-N 0 0 303.381 3.177 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCOCC(C)C ZINC000348669085 229204508 /nfs/dbraw/zinc/20/45/08/229204508.db2.gz UHFJAFLUDFNZTL-UHFFFAOYSA-N 0 0 302.418 3.166 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(C)(C)c1cccnc1 ZINC000348666768 229204618 /nfs/dbraw/zinc/20/46/18/229204618.db2.gz NLAWCZAMNXCMOR-UHFFFAOYSA-N 0 0 321.424 3.476 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)CC[C@H]1CCCCO1 ZINC000348659330 229204983 /nfs/dbraw/zinc/20/49/83/229204983.db2.gz IPBCXWSIKIJBFU-OAHLLOKOSA-N 0 0 314.429 3.452 20 10 DGCDRN CCCCN(Cc1ccccc1O)[C@H](C)c1nnnn1C1CC1 ZINC000282356561 276233838 /nfs/dbraw/zinc/23/38/38/276233838.db2.gz CYCLRPZMVIXNGJ-CYBMUJFWSA-N 0 0 315.421 3.077 20 10 DGCDRN CCCCN1C(=O)C2(CCCCC2)N[C@@H]1c1ccc(O)c(O)c1 ZINC000078768920 278694993 /nfs/dbraw/zinc/69/49/93/278694993.db2.gz QFLIRBDFFVOCSE-INIZCTEOSA-N 0 0 318.417 3.031 20 10 DGCDRN O=C([C@H]1CC=CCC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000071798973 431290046 /nfs/dbraw/zinc/29/00/46/431290046.db2.gz NUZAYUFCUMOLRC-DOTOQJQBSA-N 0 0 315.413 3.256 20 10 DGCDRN O=C([C@@H]1CC=CCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000071798974 431290181 /nfs/dbraw/zinc/29/01/81/431290181.db2.gz NUZAYUFCUMOLRC-WBVHZDCISA-N 0 0 315.413 3.256 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1COc2ccccc21 ZINC000113157463 431332776 /nfs/dbraw/zinc/33/27/76/431332776.db2.gz UUYVORXXXKFMIQ-GOSISDBHSA-N 0 0 324.424 3.277 20 10 DGCDRN COc1cccc(CNC(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)c1O ZINC000074209168 431406418 /nfs/dbraw/zinc/40/64/18/431406418.db2.gz PQQAQMGJMLASFU-YRGRVCCFSA-N 0 0 306.406 3.025 20 10 DGCDRN CC[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(F)cc1[O-] ZINC000285567174 280183862 /nfs/dbraw/zinc/18/38/62/280183862.db2.gz HOUOTQZCAQXLOC-OAHLLOKOSA-N 0 0 309.381 3.258 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCSC ZINC000077621171 431612378 /nfs/dbraw/zinc/61/23/78/431612378.db2.gz CMHAVYZRYJDFDV-UHFFFAOYSA-N 0 0 309.479 3.037 20 10 DGCDRN CC1(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000120212009 431723794 /nfs/dbraw/zinc/72/37/94/431723794.db2.gz FCGHNHZKQPYICE-LBPRGKRZSA-N 0 0 324.371 3.173 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000121504169 431795603 /nfs/dbraw/zinc/79/56/03/431795603.db2.gz KDJVETJNFOKAFQ-CALCHBBNSA-N 0 0 311.429 3.004 20 10 DGCDRN CCOc1cccc(CNc2cccc([S@](C)=O)c2)c1O ZINC000121793811 431806568 /nfs/dbraw/zinc/80/65/68/431806568.db2.gz ZQOJSUKOHZMCDI-OAQYLSRUSA-N 0 0 305.399 3.140 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000036996931 431843179 /nfs/dbraw/zinc/84/31/79/431843179.db2.gz MYDSITRPJURHJA-ZIAGYGMSSA-N 0 0 315.244 3.415 20 10 DGCDRN CC[C@H]1c2ccsc2CCN1C(=O)Cc1ccc(N)cc1 ZINC000037811734 431850517 /nfs/dbraw/zinc/85/05/17/431850517.db2.gz FGILSBPWHMFOLR-HNNXBMFYSA-N 0 0 300.427 3.409 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000093820373 431917426 /nfs/dbraw/zinc/91/74/26/431917426.db2.gz QVRLNLPNSGWLDN-AWEZNQCLSA-N 0 0 302.201 3.311 20 10 DGCDRN CC(=O)c1cc(F)cc(CN(C)[C@H](C)c2ccncc2)c1O ZINC000091986313 431905678 /nfs/dbraw/zinc/90/56/78/431905678.db2.gz CGOOIBJKSMOGRB-LLVKDONJSA-N 0 0 302.349 3.322 20 10 DGCDRN COc1ccc([C@@H](C)[N@H+](C)Cc2cc3c(cc2O)OCO3)cc1 ZINC000125833092 431936908 /nfs/dbraw/zinc/93/69/08/431936908.db2.gz WBBBJEBOUPLDCA-GFCCVEGCSA-N 0 0 315.369 3.323 20 10 DGCDRN Cc1nnc(CN(C)Cc2ccc(N3CCCCC3)cc2)o1 ZINC000052917294 431959630 /nfs/dbraw/zinc/95/96/30/431959630.db2.gz YFFZAJBAMXVAFY-UHFFFAOYSA-N 0 0 300.406 3.000 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCCc1ccccc1 ZINC000183485911 432297852 /nfs/dbraw/zinc/29/78/52/432297852.db2.gz AOJLXXCDIRAMHO-AWEZNQCLSA-N 0 0 313.397 3.168 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccon1 ZINC000183523382 432300148 /nfs/dbraw/zinc/30/01/48/432300148.db2.gz MXLNKKCHRYPQPW-UHFFFAOYSA-N 0 0 314.389 3.329 20 10 DGCDRN C[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)c1cccs1 ZINC000173194193 432264187 /nfs/dbraw/zinc/26/41/87/432264187.db2.gz XZRSZRJPDSAVLR-GFCCVEGCSA-N 0 0 316.426 3.343 20 10 DGCDRN COc1cccc(C[N@H+](C)Cc2ncc(C)c(OC)c2C)c1O ZINC000183784714 432324767 /nfs/dbraw/zinc/32/47/67/432324767.db2.gz RFZFDJWTDYTSSF-UHFFFAOYSA-N 0 0 316.401 3.053 20 10 DGCDRN COc1cc(O)c(C[N@H+](C)C2Cc3ccccc3C2)cc1OC ZINC000271096921 432328556 /nfs/dbraw/zinc/32/85/56/432328556.db2.gz NCJHIAYJCNSXKD-UHFFFAOYSA-N 0 0 313.397 3.009 20 10 DGCDRN Nc1ccc(CCNC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)cc1 ZINC000152520975 432338345 /nfs/dbraw/zinc/33/83/45/432338345.db2.gz MICSEMYFWPJJEC-UONOGXRCSA-N 0 0 316.351 3.009 20 10 DGCDRN Cc1cc(C(=O)N(C)c2cnn(C)c2)c(C)n1-c1ccccc1C ZINC000174378449 432342329 /nfs/dbraw/zinc/34/23/29/432342329.db2.gz OGFHYPIGCGPRTR-UHFFFAOYSA-N 0 0 322.412 3.413 20 10 DGCDRN CC[C@H]1C[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)CCO1 ZINC000184058534 432350309 /nfs/dbraw/zinc/35/03/09/432350309.db2.gz ITCCMSSJLIQIKD-CABCVRRESA-N 0 0 317.429 3.092 20 10 DGCDRN C[C@@H]1[C@H](C)[S@](=O)CCN1Cc1ccc(N2CCCCC2)cc1 ZINC000271195531 432350348 /nfs/dbraw/zinc/35/03/48/432350348.db2.gz NIRJHIIQGXVDPY-ZMPRRUGASA-N 0 0 320.502 3.018 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCO[C@@H](CC)C1 ZINC000183580567 432304742 /nfs/dbraw/zinc/30/47/42/432304742.db2.gz VTZORADGTJWKRB-ZBFHGGJFSA-N 0 0 305.418 3.336 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](COCC)C(C)C ZINC000191816595 432304867 /nfs/dbraw/zinc/30/48/67/432304867.db2.gz QNAKXIYDKXSTNZ-INIZCTEOSA-N 0 0 322.449 3.375 20 10 DGCDRN CC(C)C(=O)NCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000184869616 432441628 /nfs/dbraw/zinc/44/16/28/432441628.db2.gz MPOSKZIAHQPYFR-SECBINFHSA-N 0 0 319.232 3.122 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000175503965 432444077 /nfs/dbraw/zinc/44/40/77/432444077.db2.gz FESYZYIQNNLPQR-ZIAGYGMSSA-N 0 0 317.335 3.433 20 10 DGCDRN COc1cc(Cl)cc(C[N@H+](C)Cc2cnc(C)s2)c1O ZINC000184682429 432421263 /nfs/dbraw/zinc/42/12/63/432421263.db2.gz UKBICYUQKVGPOP-UHFFFAOYSA-N 0 0 312.822 3.451 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H](Oc2ccccn2)C1 ZINC000271804031 432423755 /nfs/dbraw/zinc/42/37/55/432423755.db2.gz LIKUYSRQXLZSFJ-ZDUSSCGKSA-N 0 0 304.777 3.094 20 10 DGCDRN COc1cc(O)c(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)cc1OC ZINC000271840659 432427186 /nfs/dbraw/zinc/42/71/86/432427186.db2.gz QPAOJLMUSFHOPL-GUYCJALGSA-N 0 0 323.433 3.093 20 10 DGCDRN Nc1ccc(CCNC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000262139170 432477484 /nfs/dbraw/zinc/47/74/84/432477484.db2.gz MFZZSFPOBNLRFO-OLZOCXBDSA-N 0 0 314.351 3.296 20 10 DGCDRN Cc1ccc([C@@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(O)c1 ZINC000185206759 432477731 /nfs/dbraw/zinc/47/77/31/432477731.db2.gz SFFWNLMLNYQFHO-BRWVUGGUSA-N 0 0 320.477 3.241 20 10 DGCDRN Cc1ccc([C@H](C)[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c(O)c1 ZINC000185464542 432501778 /nfs/dbraw/zinc/50/17/78/432501778.db2.gz JCKJCBHTNUODRR-HOCLYGCPSA-N 0 0 324.424 3.436 20 10 DGCDRN C[C@@H]1CC[C@@H](CCC(=O)NCc2ccc3c(c2)CCCN3C)O1 ZINC000175788020 432464946 /nfs/dbraw/zinc/46/49/46/432464946.db2.gz DQCWRVPVOPNYLQ-PBHICJAKSA-N 0 0 316.445 3.033 20 10 DGCDRN C[C@@H]([NH2+]CCN1CCc2sccc2C1)c1ccc(F)cc1[O-] ZINC000185104795 432466731 /nfs/dbraw/zinc/46/67/31/432466731.db2.gz IXUKQWCSEWJBTF-GFCCVEGCSA-N 0 0 320.433 3.302 20 10 DGCDRN COc1cccc(CNC(=O)NC2[C@H](C)CCC[C@H]2C)c1O ZINC000175819237 432468890 /nfs/dbraw/zinc/46/88/90/432468890.db2.gz AMELHMVQRKZJDB-VXGBXAGGSA-N 0 0 306.406 3.025 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1ccc(F)cc1[O-] ZINC000186136307 432562505 /nfs/dbraw/zinc/56/25/05/432562505.db2.gz WUJKBQBVWXWIRB-PVXIVEMSSA-N 0 0 311.422 3.237 20 10 DGCDRN CCOc1ccc(O)c(CN(C)Cc2nccn2C(F)F)c1 ZINC000155021561 432534427 /nfs/dbraw/zinc/53/44/27/432534427.db2.gz QMJYCDHIDXXDSH-UHFFFAOYSA-N 0 0 311.332 3.015 20 10 DGCDRN CCN(CC)c1ccc(CNc2nc(COC)ns2)cc1F ZINC000176927585 432565569 /nfs/dbraw/zinc/56/55/69/432565569.db2.gz IDSAQTGKEUMZEV-UHFFFAOYSA-N 0 0 324.425 3.282 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)C1CCCC1 ZINC000186424602 432594889 /nfs/dbraw/zinc/59/48/89/432594889.db2.gz ADNXTILRYCSSSN-LBPRGKRZSA-N 0 0 305.418 3.361 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)c2cscn2)C2CC2)cc1 ZINC000263986795 432601143 /nfs/dbraw/zinc/60/11/43/432601143.db2.gz FGGUOUQZZXICIT-UHFFFAOYSA-N 0 0 301.415 3.014 20 10 DGCDRN CN(C)c1ccc(CN2CCSC[C@@H]2c2nccs2)cc1 ZINC000186648825 432617752 /nfs/dbraw/zinc/61/77/52/432617752.db2.gz QXQFBPOMFUWWBI-OAHLLOKOSA-N 0 0 319.499 3.499 20 10 DGCDRN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1cccnc1 ZINC000208863606 432639566 /nfs/dbraw/zinc/63/95/66/432639566.db2.gz NYMGJOZPVRXKFG-MDWZMJQESA-N 0 0 309.394 3.414 20 10 DGCDRN CCS[C@@H]1CCCCN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000177685481 432649403 /nfs/dbraw/zinc/64/94/03/432649403.db2.gz HOTXOXVLYYYSML-GFCCVEGCSA-N 0 0 309.431 3.154 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000158960864 432664485 /nfs/dbraw/zinc/66/44/85/432664485.db2.gz RASSULMNMISRQV-OXJNMPFZSA-N 0 0 323.392 3.008 20 10 DGCDRN CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2O)C1 ZINC000227444807 432712165 /nfs/dbraw/zinc/71/21/65/432712165.db2.gz ZLSNWUXERQZLIN-CQSZACIVSA-N 0 0 320.433 3.129 20 10 DGCDRN Oc1cc2c(cc1C[NH2+]CCc1ccc(Cl)s1)OCO2 ZINC000227441235 432712460 /nfs/dbraw/zinc/71/24/60/432712460.db2.gz BPTVIOZIELXLJS-UHFFFAOYSA-N 0 0 311.790 3.168 20 10 DGCDRN O=C(NCc1ccccc1O)C1CCC(C(F)(F)F)CC1 ZINC000228424880 432718984 /nfs/dbraw/zinc/71/89/84/432718984.db2.gz XKQHWZFNKPIYER-UHFFFAOYSA-N 0 0 301.308 3.377 20 10 DGCDRN C[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(F)c(F)c1[O-] ZINC000187828039 432687618 /nfs/dbraw/zinc/68/76/18/432687618.db2.gz QPBFPMJBRLWMGG-JIVACREVSA-N 0 0 309.356 3.279 20 10 DGCDRN COc1ccc([C@@H](NC(=O)Cc2ccc(N)cc2)C2CC2)cc1 ZINC000237257598 432781233 /nfs/dbraw/zinc/78/12/33/432781233.db2.gz IHIAESISJFXJLT-IBGZPJMESA-N 0 0 310.397 3.087 20 10 DGCDRN CC(C)c1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])[nH]1 ZINC000276851343 432826856 /nfs/dbraw/zinc/82/68/56/432826856.db2.gz BCRCNFGYIYTVNG-RKDXNWHRSA-N 0 0 310.348 3.324 20 10 DGCDRN Cc1ccccc1-c1nc(CNCc2ccc(N(C)C)cc2)no1 ZINC000276805957 432827029 /nfs/dbraw/zinc/82/70/29/432827029.db2.gz WSIXDKVUJGSEPO-UHFFFAOYSA-N 0 0 322.412 3.401 20 10 DGCDRN CC(C)Oc1ccc(N(C)Cc2nnc3n2CCCCC3)cc1 ZINC000277280982 432833048 /nfs/dbraw/zinc/83/30/48/432833048.db2.gz SJKKWVPYIIICFS-UHFFFAOYSA-N 0 0 314.433 3.428 20 10 DGCDRN Nc1ccc(CC(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1 ZINC000237911420 432804420 /nfs/dbraw/zinc/80/44/20/432804420.db2.gz BVUVTLQCHDKWFA-FQEVSTJZSA-N 0 0 317.392 3.112 20 10 DGCDRN Cc1cc(Sc2ncc(C(C)(C)C)s2)n2ncnc2n1 ZINC000268293262 432862051 /nfs/dbraw/zinc/86/20/51/432862051.db2.gz DZHUNEBVKXWGTF-UHFFFAOYSA-N 0 0 305.432 3.338 20 10 DGCDRN CC1(C)Cc2cc(NC(=O)NCc3ccccc3O)ccc2O1 ZINC000268320646 432863081 /nfs/dbraw/zinc/86/30/81/432863081.db2.gz JVJQACQGEQRFBT-UHFFFAOYSA-N 0 0 312.369 3.427 20 10 DGCDRN CC(C)CCC(=O)NCc1cccc(Br)c1O ZINC000277626615 432864728 /nfs/dbraw/zinc/86/47/28/432864728.db2.gz WUKAGRUSGOAHMT-UHFFFAOYSA-N 0 0 300.196 3.207 20 10 DGCDRN COc1c([O-])c(C[NH2+]Cc2ccc(C)cc2C)ccc1[N+](=O)[O-] ZINC000278106795 432884909 /nfs/dbraw/zinc/88/49/09/432884909.db2.gz AIIZVNVHAGGFSV-UHFFFAOYSA-N 0 0 316.357 3.216 20 10 DGCDRN CC[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278231603 432889192 /nfs/dbraw/zinc/88/91/92/432889192.db2.gz MTINNSMLYRDEPU-UHFFFAOYSA-N 0 0 316.357 3.331 20 10 DGCDRN CCn1cnnc1C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278323651 432891014 /nfs/dbraw/zinc/89/10/14/432891014.db2.gz VHRYZBUUGYUFGA-MRVPVSSYSA-N 0 0 315.204 3.161 20 10 DGCDRN Oc1cccc2c1[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)CC2 ZINC000296880578 432934171 /nfs/dbraw/zinc/93/41/71/432934171.db2.gz OFXLXUWDLKAWPN-GDBMZVCRSA-N 0 0 321.779 3.495 20 10 DGCDRN CCN(C)c1ccc([C@@H](C)NCc2nnc(C(C)C)[nH]2)cc1 ZINC000296421191 432905699 /nfs/dbraw/zinc/90/56/99/432905699.db2.gz LIZWKEOIUPEBSE-CYBMUJFWSA-N 0 0 301.438 3.235 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000289957462 432981576 /nfs/dbraw/zinc/98/15/76/432981576.db2.gz YYYDQEVZSMEBOI-QWRGUYRKSA-N 0 0 323.742 3.038 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCC(F)(F)[C@@H](C)C2)c1O ZINC000290012018 432982812 /nfs/dbraw/zinc/98/28/12/432982812.db2.gz ZVAKTKPNHDAKNL-VIFPVBQESA-N 0 0 301.308 3.211 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1ccc(F)c(F)c1[O-] ZINC000290165756 433004913 /nfs/dbraw/zinc/00/49/13/433004913.db2.gz DMYMPRKNLQDJCW-GHMZBOCLSA-N 0 0 305.324 3.497 20 10 DGCDRN CCOCc1nc([C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)no1 ZINC000290214346 433013582 /nfs/dbraw/zinc/01/35/82/433013582.db2.gz QEKMQCDAIICULP-QWHCGFSZSA-N 0 0 318.421 3.084 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1COc2ccccc2[C@@H]1O)c1ccc(F)cc1[O-] ZINC000290243972 433020493 /nfs/dbraw/zinc/02/04/93/433020493.db2.gz JIZUDAIZFAKBNX-DAYGRLMNSA-N 0 0 317.360 3.067 20 10 DGCDRN C[NH+](C)[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000373005016 433074286 /nfs/dbraw/zinc/07/42/86/433074286.db2.gz CDNOZZGPNQOBLV-NSHDSACASA-N 0 0 300.805 3.101 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)C[C@@H](C)c1cnn(C)c1 ZINC000412314353 433151015 /nfs/dbraw/zinc/15/10/15/433151015.db2.gz WSACNYWBFFNOHC-CYBMUJFWSA-N 0 0 324.428 3.030 20 10 DGCDRN Cc1cc(C(=O)NCCc2cn[nH]c2)c(C)n1-c1ccccc1C ZINC000290576312 433102430 /nfs/dbraw/zinc/10/24/30/433102430.db2.gz OXGBJBOGECNINE-UHFFFAOYSA-N 0 0 322.412 3.098 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1conc1C1CC1 ZINC000280822573 433189402 /nfs/dbraw/zinc/18/94/02/433189402.db2.gz RVLIDLRWGFHYBR-UHFFFAOYSA-N 0 0 312.369 3.066 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@H](CC)OC ZINC000291464323 433243127 /nfs/dbraw/zinc/24/31/27/433243127.db2.gz MIABBAOEPVEZHJ-HNNXBMFYSA-N 0 0 308.422 3.129 20 10 DGCDRN CO[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000374681369 433258502 /nfs/dbraw/zinc/25/85/02/433258502.db2.gz VCFJCIAQQJXFRB-CQSZACIVSA-N 0 0 311.809 3.249 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000281147035 433267675 /nfs/dbraw/zinc/26/76/75/433267675.db2.gz ORYAGSFWMGDQNP-ZJUUUORDSA-N 0 0 300.305 3.386 20 10 DGCDRN COc1cccc(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)c1O ZINC000291655997 433301058 /nfs/dbraw/zinc/30/10/58/433301058.db2.gz UYOPLLQODPTOEU-QGZVFWFLSA-N 0 0 324.424 3.038 20 10 DGCDRN CSCC(C)(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000281914802 433425522 /nfs/dbraw/zinc/42/55/22/433425522.db2.gz CJWVGHLXYKPUFQ-UHFFFAOYSA-N 0 0 306.475 3.292 20 10 DGCDRN Oc1ccc(F)cc1CNc1cc(F)cc(N2CCOCC2)c1 ZINC000282795729 433632653 /nfs/dbraw/zinc/63/26/53/433632653.db2.gz MPHNWNCWBIKSEM-UHFFFAOYSA-N 0 0 320.339 3.119 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)CCOCC(F)F ZINC000282399391 433595169 /nfs/dbraw/zinc/59/51/69/433595169.db2.gz FEBMHGCECIEAAK-UHFFFAOYSA-N 0 0 315.360 3.193 20 10 DGCDRN CCCOc1ccc(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)c(O)c1 ZINC000282411437 433598743 /nfs/dbraw/zinc/59/87/43/433598743.db2.gz ZCNWNIVPQFDKIZ-ZIAGYGMSSA-N 0 0 307.434 3.474 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCn2nccc21 ZINC000375913152 433608264 /nfs/dbraw/zinc/60/82/64/433608264.db2.gz HAVPPMYRAWLRBV-UHFFFAOYSA-N 0 0 320.396 3.259 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)c1ncccc1[N+](=O)[O-] ZINC000301739673 433699829 /nfs/dbraw/zinc/69/98/29/433699829.db2.gz DCQLHSGKOKAYIG-UHFFFAOYSA-N 0 0 300.362 3.082 20 10 DGCDRN COC[C@H](C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-])OC ZINC000273455799 293108956 /nfs/dbraw/zinc/10/89/56/293108956.db2.gz PLUFLNBCGVPDSK-BDAKNGLRSA-N 0 0 308.205 3.011 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCCn1cccc1 ZINC000283399098 433714731 /nfs/dbraw/zinc/71/47/31/433714731.db2.gz FJKPOFJKCZYJMX-UHFFFAOYSA-N 0 0 315.417 3.206 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)c1cc(C)c([N+](=O)[O-])cn1 ZINC000301783303 433720713 /nfs/dbraw/zinc/72/07/13/433720713.db2.gz UGHXACGFPTUCEY-UHFFFAOYSA-N 0 0 314.389 3.391 20 10 DGCDRN CN(C)c1ccc(CNc2c3c(ccc2[N+](=O)[O-])NCC3)cc1 ZINC000302421535 433823231 /nfs/dbraw/zinc/82/32/31/433823231.db2.gz IYDDADKEMCYICD-UHFFFAOYSA-N 0 0 312.373 3.241 20 10 DGCDRN Cc1cc2c(NCCCSc3nccs3)nccn2n1 ZINC000302529961 433822841 /nfs/dbraw/zinc/82/28/41/433822841.db2.gz CKJLYXPVOVSECF-UHFFFAOYSA-N 0 0 305.432 3.089 20 10 DGCDRN Cc1cc(C(=O)Nc2nc(C)n(C)n2)c(C)n1-c1cccc(C)c1 ZINC000293750543 433855174 /nfs/dbraw/zinc/85/51/74/433855174.db2.gz SJQBKVVQTILYEM-UHFFFAOYSA-N 0 0 323.400 3.092 20 10 DGCDRN CC[C@H]([NH2+]CC1(COC)CCOCC1)c1ccc(F)cc1[O-] ZINC000293788133 433868808 /nfs/dbraw/zinc/86/88/08/433868808.db2.gz UFXNQDBFXSTZTD-HNNXBMFYSA-N 0 0 311.397 3.015 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)[C@@H](C)C(C)C)CC2)cc1 ZINC000363529865 434079792 /nfs/dbraw/zinc/07/97/92/434079792.db2.gz KIDUJCXDLKSJGE-HNNXBMFYSA-N 0 0 304.434 3.026 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](O)C[C@@H]2C)cc1 ZINC000294354788 434100823 /nfs/dbraw/zinc/10/08/23/434100823.db2.gz USFAYMSWDIEHJX-YJBOKZPZSA-N 0 0 312.413 3.080 20 10 DGCDRN CC(C)[C@@]1(CO)CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000378137482 434095920 /nfs/dbraw/zinc/09/59/20/434095920.db2.gz YZLTZZKSTNUHBI-HNNXBMFYSA-N 0 0 301.789 3.025 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CSC1CC1 ZINC000294538376 434119897 /nfs/dbraw/zinc/11/98/97/434119897.db2.gz RIGFVKWFYVYYKQ-UHFFFAOYSA-N 0 0 306.475 3.385 20 10 DGCDRN CCOc1ccc(O)c(CN2CC(C)(C)[C@H]2c2nccn2C)c1 ZINC000294754904 434132149 /nfs/dbraw/zinc/13/21/49/434132149.db2.gz IOUBHJDQFHQVBD-MRXNPFEDSA-N 0 0 315.417 3.108 20 10 DGCDRN CC(C)c1nnc(CN2CCOc3cc(N(C)C)ccc32)s1 ZINC000295039877 434165056 /nfs/dbraw/zinc/16/50/56/434165056.db2.gz WQHKXNQGNUXZNF-UHFFFAOYSA-N 0 0 318.446 3.127 20 10 DGCDRN CC(=O)Nc1cccc2c1CCCN2C(=O)/C=C/c1cccnc1 ZINC000368777665 434582134 /nfs/dbraw/zinc/58/21/34/434582134.db2.gz ONZJLYNYZAECHN-MDZDMXLPSA-N 0 0 321.380 3.033 20 10 DGCDRN CCN(CC)c1ccc(CN2CCC[C@@H]2c2ncon2)cc1 ZINC000371373603 434680915 /nfs/dbraw/zinc/68/09/15/434680915.db2.gz NMKGJSSICVYZIC-MRXNPFEDSA-N 0 0 300.406 3.253 20 10 DGCDRN CCc1nc([C@@H]2CCCCN2Cc2ccc(N(C)C)cc2)no1 ZINC000361168473 434820097 /nfs/dbraw/zinc/82/00/97/434820097.db2.gz NSTPNSPRVSSHAU-INIZCTEOSA-N 0 0 314.433 3.425 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCOC[C@H](C)C1 ZINC000372883760 434861142 /nfs/dbraw/zinc/86/11/42/434861142.db2.gz UBODCOUDHBWGRO-GFCCVEGCSA-N 0 0 318.442 3.264 20 10 DGCDRN C[C@@H]([NH2+]CC12CC(C1)CO2)c1cccc(C(F)(F)F)c1[O-] ZINC000527980220 435018171 /nfs/dbraw/zinc/01/81/71/435018171.db2.gz MVPJVBMGHXGPOV-NAUIOFCNSA-N 0 0 301.308 3.241 20 10 DGCDRN Cc1cc(N(C)C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])ccn1 ZINC000492618319 435024106 /nfs/dbraw/zinc/02/41/06/435024106.db2.gz YLYIWZVAPJUFRB-GQCTYLIASA-N 0 0 315.304 3.114 20 10 DGCDRN Cc1ncsc1/C=C\C(=O)N1CCOc2ccc(F)cc21 ZINC000492647475 435029536 /nfs/dbraw/zinc/02/95/36/435029536.db2.gz JLYJLSPYDZPOEG-PLNGDYQASA-N 0 0 304.346 3.029 20 10 DGCDRN O=C(/C=C\c1cnccn1)N(Cc1ccccc1)c1ccncc1 ZINC000492896759 435069731 /nfs/dbraw/zinc/06/97/31/435069731.db2.gz LOEKGVLRWSQGAJ-SREVYHEPSA-N 0 0 316.364 3.118 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCCCC[C@H]1c1ccco1 ZINC000187156128 304548956 /nfs/dbraw/zinc/54/89/56/304548956.db2.gz FDPSPRNHHUOJSM-ZDUSSCGKSA-N 0 0 301.342 3.448 20 10 DGCDRN Cc1cncc(/C=C\C(=O)N(C)c2cnc3ccccc3n2)c1 ZINC000493359760 435155559 /nfs/dbraw/zinc/15/55/59/435155559.db2.gz XAADTIDELKZKHI-FPLPWBNLSA-N 0 0 304.353 3.009 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1conc1C1CC1 ZINC000515259741 435471366 /nfs/dbraw/zinc/47/13/66/435471366.db2.gz JLENWUSCESIPLK-UHFFFAOYSA-N 0 0 309.369 3.282 20 10 DGCDRN O=C(/C=C/c1cccnc1)N1C[C@@H]2CCCN2c2ccccc21 ZINC000490577069 435664519 /nfs/dbraw/zinc/66/45/19/435664519.db2.gz PLBABMACTPKIBC-SCOAYWHSSA-N 0 0 305.381 3.110 20 10 DGCDRN O=C(/C=C\c1cnccn1)N1CC2(CCC2)c2c1cccc2F ZINC000491347910 435731604 /nfs/dbraw/zinc/73/16/04/435731604.db2.gz DXMCNCGENCQTLK-WAYWQWQTSA-N 0 0 309.344 3.097 20 10 DGCDRN Cc1cc(CO)cc(N2CC=C(c3c[nH]c4ncccc34)CC2)n1 ZINC000663370546 436448355 /nfs/dbraw/zinc/44/83/55/436448355.db2.gz REBPDGAWYCAPQN-UHFFFAOYSA-N 0 0 320.396 3.052 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H]1C=CCCC1 ZINC000188342421 333363188 /nfs/dbraw/zinc/36/31/88/333363188.db2.gz JCLQHXWDZZCDOX-AWEZNQCLSA-N 0 0 300.402 3.224 20 10 DGCDRN Cc1nn(C)c(Cl)c1/C=C/C(=O)N(C)c1ccccc1F ZINC000102165137 334382131 /nfs/dbraw/zinc/38/21/31/334382131.db2.gz AQXWPAWOPAKDAW-CMDGGOBGSA-N 0 0 307.756 3.197 20 10 DGCDRN Cc1cc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)nc(C)n1 ZINC000301121989 336291078 /nfs/dbraw/zinc/29/10/78/336291078.db2.gz NXORGUABKMENBP-AWEZNQCLSA-N 0 0 312.417 3.103 20 10 DGCDRN Cc1ncccc1/C=C/C(=O)N1C[C@H]2CCCN2c2ccccc21 ZINC000492952282 339913333 /nfs/dbraw/zinc/91/33/33/339913333.db2.gz GSHNADNNBCWNOL-SXSDINLZSA-N 0 0 319.408 3.419 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000528829554 340736168 /nfs/dbraw/zinc/73/61/68/340736168.db2.gz YBWVVNVXOZKWGW-LOUJCGABSA-N 0 0 305.418 3.190 20 10 DGCDRN C[C@@H]1CC[C@@H](CC(=O)N2CCOc3cc(N(C)C)ccc32)C1 ZINC000132482368 341124291 /nfs/dbraw/zinc/12/42/91/341124291.db2.gz FOMLPAOJANRBLM-ZIAGYGMSSA-N 0 0 302.418 3.304 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C\c2cncc(F)c2)cc1F ZINC000254965412 341495234 /nfs/dbraw/zinc/49/52/34/341495234.db2.gz JXBQBZDLPUTJRQ-UTCJRWHESA-N 0 0 304.296 3.045 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C=C1CCC(C)CC1 ZINC000183450904 500920744 /nfs/dbraw/zinc/92/07/44/500920744.db2.gz QJALQKTYCDRXKU-ZGTCLIOFSA-N 0 0 303.402 3.282 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cc(Cl)cn1C ZINC000352110200 533971590 /nfs/dbraw/zinc/97/15/90/533971590.db2.gz AYGUDPIUIHGVSW-UHFFFAOYSA-N 0 0 315.804 3.409 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccc(F)cn1 ZINC000346880547 533971673 /nfs/dbraw/zinc/97/16/73/533971673.db2.gz DBHNVUUUOXVIID-UHFFFAOYSA-N 0 0 312.348 3.343 20 10 DGCDRN C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1c1ccccc1 ZINC000180826657 534274437 /nfs/dbraw/zinc/27/44/37/534274437.db2.gz VICGHQFUCQZQKK-DDUKQJAGSA-N 0 0 309.365 3.331 20 10 DGCDRN C/C=C(\C=C\C(=O)NCc1ccc(N2CCOCC2)cc1)CC ZINC000161511349 518488771 /nfs/dbraw/zinc/48/87/71/518488771.db2.gz BGVWVFDUXVJCCR-MZUDZQDYSA-N 0 0 314.429 3.052 20 10 DGCDRN CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N(C)Cc1ccccc1O ZINC000186215858 519282145 /nfs/dbraw/zinc/28/21/45/519282145.db2.gz MPYSSXTYQZQBIS-RDJZCZTQSA-N 0 0 320.433 3.127 20 10 DGCDRN CC(=O)CC(C)(C)CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000191736694 519381033 /nfs/dbraw/zinc/38/10/33/519381033.db2.gz XKZMGNCDTXCKTE-UHFFFAOYSA-N 0 0 316.445 3.298 20 10 DGCDRN CC(C)c1noc(NCc2cccc(Br)c2O)n1 ZINC000181857299 519906410 /nfs/dbraw/zinc/90/64/10/519906410.db2.gz KPKOXLMIYQZQMP-UHFFFAOYSA-N 0 0 312.167 3.273 20 10 DGCDRN CCCSc1nsc(NC(=O)NCc2ccccc2O)n1 ZINC000268565460 520571726 /nfs/dbraw/zinc/57/17/26/520571726.db2.gz FRTLDHOYHHPYLY-UHFFFAOYSA-N 0 0 324.431 3.068 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)Cc3cccnc3)cc2)CC1 ZINC000264935317 521039932 /nfs/dbraw/zinc/03/99/32/521039932.db2.gz OVMLWCJSLLGFIM-UHFFFAOYSA-N 0 0 323.440 3.177 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)CCc1c(C)n[nH]c1C ZINC000170732033 521687999 /nfs/dbraw/zinc/68/79/99/521687999.db2.gz BHEQGGXFCRIVKP-UHFFFAOYSA-N 0 0 315.417 3.104 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCC[C@@H]1CCCCO1 ZINC000182193390 521688454 /nfs/dbraw/zinc/68/84/54/521688454.db2.gz KMZPSRSNWKSIFU-INIZCTEOSA-N 0 0 320.433 3.273 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(F)nc1 ZINC000127151732 521688490 /nfs/dbraw/zinc/68/84/90/521688490.db2.gz PINNDQXJWVCRRJ-UHFFFAOYSA-N 0 0 303.337 3.370 20 10 DGCDRN CCOCCCC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000267539747 521696485 /nfs/dbraw/zinc/69/64/85/521696485.db2.gz APJDDFJJQVYXFE-UHFFFAOYSA-N 0 0 324.384 3.152 20 10 DGCDRN CCS[C@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180847489 521730663 /nfs/dbraw/zinc/73/06/63/521730663.db2.gz RMWRRTTUYUTRDN-PMENNHOYSA-N 0 0 321.442 3.292 20 10 DGCDRN CC[C@@H](C(=O)NCCc1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000127479943 521842533 /nfs/dbraw/zinc/84/25/33/521842533.db2.gz UUTYNWHCWGWVNZ-OAHLLOKOSA-N 0 0 317.360 3.089 20 10 DGCDRN CCc1ccccc1NC(=O)CN(C)c1ccc2c(c1)OCO2 ZINC000121236067 521866831 /nfs/dbraw/zinc/86/68/31/521866831.db2.gz ZUFKKMZOFXOMEJ-UHFFFAOYSA-N 0 0 312.369 3.053 20 10 DGCDRN CCc1ccccc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000190922333 521895479 /nfs/dbraw/zinc/89/54/79/521895479.db2.gz QSGCUYVBHQKJBK-LBPRGKRZSA-N 0 0 314.385 3.413 20 10 DGCDRN COCCc1ccccc1NC(=O)N(C)Cc1ccccc1O ZINC000189468763 522017748 /nfs/dbraw/zinc/01/77/48/522017748.db2.gz NGVOSLLCWVACBO-UHFFFAOYSA-N 0 0 314.385 3.245 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)Cc2cc(F)ccc2F)cc1 ZINC000173151852 522164907 /nfs/dbraw/zinc/16/49/07/522164907.db2.gz PXFDXIHSTXCWBC-UHFFFAOYSA-N 0 0 318.367 3.232 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C2CCC(F)(F)CC2)cc1F ZINC000121465638 522185007 /nfs/dbraw/zinc/18/50/07/522185007.db2.gz SJICZDZJPLGPSI-UHFFFAOYSA-N 0 0 314.351 3.333 20 10 DGCDRN CN(C)c1ccc(CNc2ccc(C(F)(F)F)nn2)cc1F ZINC000269921881 522215505 /nfs/dbraw/zinc/21/55/05/522215505.db2.gz AUAHQOCHJGYINQ-UHFFFAOYSA-N 0 0 314.286 3.313 20 10 DGCDRN C[N@H+](CCCCC(=O)[O-])Cc1ccc(N2CCCCC2)cc1 ZINC000181579854 522728764 /nfs/dbraw/zinc/72/87/64/522728764.db2.gz KBQOTWNXSKLQQB-UHFFFAOYSA-N 0 0 304.434 3.364 20 10 DGCDRN CC[C@H]1CC[C@H](C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CC1 ZINC000188759453 523195573 /nfs/dbraw/zinc/19/55/73/523195573.db2.gz CLGOUVUPRAJCCA-NFAWXSAZSA-N 0 0 305.418 3.361 20 10 DGCDRN CN(Cc1ccc([S@](C)=O)cc1)Cc1c(O)cccc1Cl ZINC000131734770 523276144 /nfs/dbraw/zinc/27/61/44/523276144.db2.gz IHYKQVSPEOGALJ-OAQYLSRUSA-N 0 0 323.845 3.415 20 10 DGCDRN CN(Cc1ccccc1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000127914142 523333986 /nfs/dbraw/zinc/33/39/86/523333986.db2.gz GUADWYDARQIAGI-UHFFFAOYSA-N 0 0 321.424 3.404 20 10 DGCDRN CO[C@H](C)c1nc(CNCc2ccc3c(c2)CCO3)cs1 ZINC000267648777 523915854 /nfs/dbraw/zinc/91/58/54/523915854.db2.gz TWTWYBWLOAHVQL-LLVKDONJSA-N 0 0 304.415 3.075 20 10 DGCDRN CN1Cc2ccccc2[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000365170596 524029310 /nfs/dbraw/zinc/02/93/10/524029310.db2.gz LMXQYLQMTXSLNB-HNNXBMFYSA-N 0 0 320.795 3.461 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2C=C[C@H](CO)C2)c(C)n1-c1cccc(C)c1 ZINC000267274613 524127378 /nfs/dbraw/zinc/12/73/78/524127378.db2.gz WFQZWGATKVQVFJ-DLBZAZTESA-N 0 0 324.424 3.069 20 10 DGCDRN C[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C[C@@H]1n1ccnc1 ZINC000180720073 524293286 /nfs/dbraw/zinc/29/32/86/524293286.db2.gz PNIDRYUWTMGIGT-WFASDCNBSA-N 0 0 305.809 3.325 20 10 DGCDRN C[C@@H](CC(=O)NCCc1ccc(O)c(O)c1)c1cccc(F)c1 ZINC000156735957 524371443 /nfs/dbraw/zinc/37/14/43/524371443.db2.gz KELUDIUVOYWKQJ-LBPRGKRZSA-N 0 0 317.360 3.089 20 10 DGCDRN Cc1cccc(CN2CCO[C@H](c3cccc(F)c3)C2)c1O ZINC000180024650 524403479 /nfs/dbraw/zinc/40/34/79/524403479.db2.gz WYOOIAFQZNTBDI-KRWDZBQOSA-N 0 0 301.361 3.413 20 10 DGCDRN C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000237565988 524434606 /nfs/dbraw/zinc/43/46/06/524434606.db2.gz SISMIKNDQSUXRA-HXPMCKFVSA-N 0 0 312.388 3.390 20 10 DGCDRN C[C@@H](CCc1ccccc1F)C(=O)NCCc1ccc(N)cc1 ZINC000237350977 524539272 /nfs/dbraw/zinc/53/92/72/524539272.db2.gz HGANKXAODZBADT-AWEZNQCLSA-N 0 0 314.404 3.336 20 10 DGCDRN Cc1cc(CC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)no1 ZINC000265095701 524611381 /nfs/dbraw/zinc/61/13/81/524611381.db2.gz PPCKLSVGKPQOPT-UHFFFAOYSA-N 0 0 315.417 3.029 20 10 DGCDRN Cc1cccc(NC2CCN(C(=O)Cc3ccc(N)cc3)CC2)c1 ZINC000237745272 524669078 /nfs/dbraw/zinc/66/90/78/524669078.db2.gz FLXHWRBETOBETN-UHFFFAOYSA-N 0 0 323.440 3.223 20 10 DGCDRN C[C@@H]1CCc2sc(C(=O)NCc3ccc(O)c(O)c3)cc2C1 ZINC000158942733 524734112 /nfs/dbraw/zinc/73/41/12/524734112.db2.gz DVCCVLBWMCIVEM-SNVBAGLBSA-N 0 0 317.410 3.214 20 10 DGCDRN COc1ccc(O)c([C@H](C)Nc2ccc(OC3COC3)cc2)c1 ZINC000188655809 524775207 /nfs/dbraw/zinc/77/52/07/524775207.db2.gz SIOVIHNANSDWAO-LBPRGKRZSA-N 0 0 315.369 3.352 20 10 DGCDRN C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)Cc1ccc(N)cc1 ZINC000262626939 525084392 /nfs/dbraw/zinc/08/43/92/525084392.db2.gz LKHKAXYQBQOUTG-MAUKXSAKSA-N 0 0 308.425 3.291 20 10 DGCDRN Cc1ccccc1OCCCC(=O)NCCc1ccc(N)cc1 ZINC000237550176 525283326 /nfs/dbraw/zinc/28/33/26/525283326.db2.gz BITWYYPLYGUOJK-UHFFFAOYSA-N 0 0 312.413 3.095 20 10 DGCDRN Cc1ccccc1OCCCN(C)C(=O)Cc1ccc(N)cc1 ZINC000237112994 525285920 /nfs/dbraw/zinc/28/59/20/525285920.db2.gz JZXXNPRHKLSZBJ-UHFFFAOYSA-N 0 0 312.413 3.047 20 10 DGCDRN C[S@@](=O)C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])c1ccccc1 ZINC000182099787 525366788 /nfs/dbraw/zinc/36/67/88/525366788.db2.gz IJYKAEOPHJBUSM-QVKFZJNVSA-N 0 0 323.845 3.255 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccc(F)c(F)c1[O-] ZINC000191212800 525496933 /nfs/dbraw/zinc/49/69/33/525496933.db2.gz FNOLIBIMLKDDMQ-OTYXRUKQSA-N 0 0 311.303 3.194 20 10 DGCDRN Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])cc1 ZINC000191213119 525783317 /nfs/dbraw/zinc/78/33/17/525783317.db2.gz GFJLRZHTXGULPW-ABAIWWIYSA-N 0 0 307.340 3.363 20 10 DGCDRN C[C@H](SCc1ccccc1)C(=O)NCCc1ccc(N)cc1 ZINC000152496280 525980148 /nfs/dbraw/zinc/98/01/48/525980148.db2.gz HYCUAEMTIZRQMR-AWEZNQCLSA-N 0 0 314.454 3.249 20 10 DGCDRN COc1cccc(CNc2ccc(C(=O)N(C)C)c(C)c2)c1O ZINC000194909494 526041353 /nfs/dbraw/zinc/04/13/53/526041353.db2.gz PVASOVIQUDIQSU-UHFFFAOYSA-N 0 0 314.385 3.023 20 10 DGCDRN Cc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)c(O)c1O ZINC000182577279 526128850 /nfs/dbraw/zinc/12/88/50/526128850.db2.gz BLKTYJNOMLLVJT-ZFWWWQNUSA-N 0 0 311.381 3.424 20 10 DGCDRN C[C@H](CC(=O)NCCc1ccc(O)c(O)c1)c1cccc(F)c1 ZINC000156736070 526239344 /nfs/dbraw/zinc/23/93/44/526239344.db2.gz KELUDIUVOYWKQJ-GFCCVEGCSA-N 0 0 317.360 3.089 20 10 DGCDRN Oc1ccccc1CNc1ccc(Cc2nnc3n2CCC3)cc1 ZINC000191650354 526373567 /nfs/dbraw/zinc/37/35/67/526373567.db2.gz NWPUTNDQJOOFGR-UHFFFAOYSA-N 0 0 320.396 3.133 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@@H]1C1CC1 ZINC000364826992 526679827 /nfs/dbraw/zinc/67/98/27/526679827.db2.gz MZBVHHNQUKLACE-GOSISDBHSA-N 0 0 311.429 3.147 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000159084559 526687069 /nfs/dbraw/zinc/68/70/69/526687069.db2.gz RVJOAYFPQIGRIP-QWRGUYRKSA-N 0 0 317.307 3.083 20 10 DGCDRN Cn1cc(CN2CCCc3ccccc32)c(-c2cccnc2)n1 ZINC000180412060 527203634 /nfs/dbraw/zinc/20/36/34/527203634.db2.gz XNXZMWYNOQWGLN-UHFFFAOYSA-N 0 0 304.397 3.435 20 10 DGCDRN Nc1ccc(CNC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)cc1 ZINC000228391661 527481968 /nfs/dbraw/zinc/48/19/68/527481968.db2.gz VAYTXDYJYXOGJR-STQMWFEESA-N 0 0 300.324 3.254 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000189932873 527571904 /nfs/dbraw/zinc/57/19/04/527571904.db2.gz SHGIKIZEQRPOHV-NOZJJQNGSA-N 0 0 304.217 3.340 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H]1Cc1ccccc1 ZINC000180616949 527612275 /nfs/dbraw/zinc/61/22/75/527612275.db2.gz OZAWMFWDQPVFHE-QXLXQBSBSA-N 0 0 323.392 3.345 20 10 DGCDRN CCCn1cc(C(=O)NCc2c(C)c3ccccc3n2C)cn1 ZINC000348635071 528835023 /nfs/dbraw/zinc/83/50/23/528835023.db2.gz LVIKZAFEZLSUAN-UHFFFAOYSA-N 0 0 310.401 3.023 20 10 DGCDRN CC1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H]2CCC[C@@H]21 ZINC000294874454 529059534 /nfs/dbraw/zinc/05/95/34/529059534.db2.gz UBWJWWZCJDOVHR-CYUPMTOZSA-N 0 0 301.386 3.148 20 10 DGCDRN CCC(CC)(CNC(=O)/C=C/c1ccc(O)c(O)c1)SC ZINC000272615183 534941252 /nfs/dbraw/zinc/94/12/52/534941252.db2.gz HWPWUXQATVWWTF-VQHVLOKHSA-N 0 0 309.431 3.149 20 10 DGCDRN CC(C)[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000293667232 535250582 /nfs/dbraw/zinc/25/05/82/535250582.db2.gz QBZIJEITDBRIDE-XHDPSFHLSA-N 0 0 301.789 3.478 20 10 DGCDRN CC[C@@H]([NH2+]CCOc1ncccc1F)c1ccc(F)cc1[O-] ZINC000286191214 535803991 /nfs/dbraw/zinc/80/39/91/535803991.db2.gz QUXUPKSLGUQQEO-CQSZACIVSA-N 0 0 308.328 3.185 20 10 DGCDRN CC[C@@](C)(CNC(=O)NCc1c(C)c2ccccc2n1C)OC ZINC000454875400 535986788 /nfs/dbraw/zinc/98/67/88/535986788.db2.gz NJNLXZJIQOATFH-SFHVURJKSA-N 0 0 317.433 3.101 20 10 DGCDRN CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NCc1ccc(N)cc1 ZINC000297118247 536035981 /nfs/dbraw/zinc/03/59/81/536035981.db2.gz GHXVNHWTFRMYLJ-XYPHTWIQSA-N 0 0 304.434 3.259 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCc2cccs2)c1 ZINC000273370056 536793757 /nfs/dbraw/zinc/79/37/57/536793757.db2.gz FXHHNPNMPRTAGU-NSHDSACASA-N 0 0 305.399 3.134 20 10 DGCDRN COc1ccc(-n2c(C)cc(C(=O)O[C@@H]3CCOC3)c2C)cc1 ZINC000730402802 574528742 /nfs/dbraw/zinc/52/87/42/574528742.db2.gz XGLBYXNFZXLCAZ-MRXNPFEDSA-N 0 0 315.369 3.048 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCCOCCC(C)C ZINC000731283572 574546437 /nfs/dbraw/zinc/54/64/37/574546437.db2.gz CZAWKVQMSDUVKY-UHFFFAOYSA-N 0 0 322.449 3.377 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1nnc(C(C)(C)C)o1 ZINC000731664494 574555639 /nfs/dbraw/zinc/55/56/39/574555639.db2.gz IQIFJDFYSOKQFL-UHFFFAOYSA-N 0 0 301.390 3.329 20 10 DGCDRN CC[C@H](NC(=O)C1=CC(=O)CS1)c1ccc2c(c1)OCCO2 ZINC000731870854 574560502 /nfs/dbraw/zinc/56/05/02/574560502.db2.gz ZXBDMWJUXRRRBC-LBPRGKRZSA-N 0 0 319.382 3.106 20 10 DGCDRN O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)C1=CC(=O)CS1 ZINC000731871552 574560660 /nfs/dbraw/zinc/56/06/60/574560660.db2.gz IGCAJJYFJICZKV-AWEZNQCLSA-N 0 0 319.382 3.264 20 10 DGCDRN CN(Cc1nc2ccccc2s1)C(=O)C1=CC(=O)CS1 ZINC000731864380 574560669 /nfs/dbraw/zinc/56/06/69/574560669.db2.gz SXDOUUJVCXAJJZ-UHFFFAOYSA-N 0 0 304.396 3.336 20 10 DGCDRN O=C(NCc1cccnc1OC1CCCC1)C1=CC(=O)CS1 ZINC000731869597 574560690 /nfs/dbraw/zinc/56/06/90/574560690.db2.gz MNOWIQHTKCNEJA-UHFFFAOYSA-N 0 0 318.398 3.100 20 10 DGCDRN O=C(Nc1cccc(NC(=O)C2CC2)c1)C1=CC(=O)CS1 ZINC000731868451 574561279 /nfs/dbraw/zinc/56/12/79/574561279.db2.gz ZRQAHMFECCYWQM-UHFFFAOYSA-N 0 0 302.355 3.055 20 10 DGCDRN C[C@@H](OC(=O)C1=CC(=O)CS1)c1nnc(-c2cccs2)o1 ZINC000731909635 574561825 /nfs/dbraw/zinc/56/18/25/574561825.db2.gz HBQQVUKTTTYIIU-SSDOTTSWSA-N 0 0 322.367 3.483 20 10 DGCDRN C[C@H](OC(=O)C1=CC(=O)CS1)c1nnc(-c2cccs2)o1 ZINC000731909636 574561878 /nfs/dbraw/zinc/56/18/78/574561878.db2.gz HBQQVUKTTTYIIU-ZETCQYMHSA-N 0 0 322.367 3.483 20 10 DGCDRN CCN(CC)c1ccc(CNc2ncnc3c2ncn3CC)cc1 ZINC000731976954 574564189 /nfs/dbraw/zinc/56/41/89/574564189.db2.gz JSFDJVMVXUSUHI-UHFFFAOYSA-N 0 0 324.432 3.305 20 10 DGCDRN COc1ccccc1[C@H]1CCCN1C(=O)C1=CC(=O)CS1 ZINC000732285155 574570975 /nfs/dbraw/zinc/57/09/75/574570975.db2.gz UFWOSMFAGUBSHQ-CYBMUJFWSA-N 0 0 303.383 3.440 20 10 DGCDRN CCOc1cc2c(cc1NC(=O)C1=CC(=O)CS1)O[C@H](C)C2 ZINC000732266530 574569709 /nfs/dbraw/zinc/56/97/09/574569709.db2.gz FSNMFKFVMMZSOK-SECBINFHSA-N 0 0 319.382 3.428 20 10 DGCDRN CCCOc1ccc(CNC(=O)C2=CC(=O)CS2)cc1OC ZINC000732271754 574569834 /nfs/dbraw/zinc/56/98/34/574569834.db2.gz RAEVFWUJUXVSSM-UHFFFAOYSA-N 0 0 321.398 3.181 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000732275927 574569849 /nfs/dbraw/zinc/56/98/49/574569849.db2.gz RYHZETLPEHVLKD-ZDUSSCGKSA-N 0 0 305.374 3.440 20 10 DGCDRN CCN(CC)Cc1csc(NC(=O)C2=CC(=O)CS2)n1 ZINC000732276077 574569998 /nfs/dbraw/zinc/56/99/98/574569998.db2.gz FUCUYEUDEGIECQ-UHFFFAOYSA-N 0 0 311.432 3.004 20 10 DGCDRN O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)C1=CC(=O)CS1 ZINC000732276933 574570165 /nfs/dbraw/zinc/57/01/65/574570165.db2.gz WYWGROKRXWWGLC-UKRRQHHQSA-N 0 0 321.373 3.243 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@]1(C)CCOC1 ZINC000733181376 574602968 /nfs/dbraw/zinc/60/29/68/574602968.db2.gz SYIRRHGUJUSJNV-KRWDZBQOSA-N 0 0 318.442 3.312 20 10 DGCDRN C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NCc1ccccc1O ZINC000733360288 574617898 /nfs/dbraw/zinc/61/78/98/574617898.db2.gz GWSMJDXKZCYKMN-SNVBAGLBSA-N 0 0 323.751 3.268 20 10 DGCDRN O=C(CCCc1ccccn1)NCCCSc1nccs1 ZINC000733974650 574645376 /nfs/dbraw/zinc/64/53/76/574645376.db2.gz HQPZYAUCQOJWCG-UHFFFAOYSA-N 0 0 321.471 3.159 20 10 DGCDRN Cc1cc(OC(F)F)c(C(=O)NCc2ccccc2O)s1 ZINC000734015579 574648152 /nfs/dbraw/zinc/64/81/52/574648152.db2.gz NJWHDDWXJMCSOS-UHFFFAOYSA-N 0 0 313.325 3.294 20 10 DGCDRN CC[C@H]1CCCC[C@@H]1NC(=O)NCc1cc(OC)ccc1O ZINC000734066466 574649625 /nfs/dbraw/zinc/64/96/25/574649625.db2.gz OQKCAFUXCKFRTA-WFASDCNBSA-N 0 0 306.406 3.169 20 10 DGCDRN CCC1CCC(CNC(=O)NCc2cc(OC)ccc2O)CC1 ZINC000734068574 574649631 /nfs/dbraw/zinc/64/96/31/574649631.db2.gz YWBBKKYYODJKFW-UHFFFAOYSA-N 0 0 320.433 3.416 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ncoc1C(C)C ZINC000734405777 574659615 /nfs/dbraw/zinc/65/96/15/574659615.db2.gz KKHPFRXHRWIIMU-UHFFFAOYSA-N 0 0 301.390 3.102 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CO[C@@H]1CCC[C@H](C)C1 ZINC000734406708 574660042 /nfs/dbraw/zinc/66/00/42/574660042.db2.gz ZJPWDYHCOJSDBO-KBXCAEBGSA-N 0 0 318.461 3.273 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)Cc1ccco1 ZINC000734522108 574666122 /nfs/dbraw/zinc/66/61/22/574666122.db2.gz WXPFKPOIPYHFJD-AWEZNQCLSA-N 0 0 315.417 3.084 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)Cc1ccco1 ZINC000734522109 574666133 /nfs/dbraw/zinc/66/61/33/574666133.db2.gz WXPFKPOIPYHFJD-CQSZACIVSA-N 0 0 315.417 3.084 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](C)C(C)(C)C)c1 ZINC000734533601 574666925 /nfs/dbraw/zinc/66/69/25/574666925.db2.gz JAGFGWMYHJTLFU-RYUDHWBXSA-N 0 0 308.422 3.443 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C)Cc1cccs1 ZINC000734687927 574672479 /nfs/dbraw/zinc/67/24/79/574672479.db2.gz YDZKCCDGILAYPL-UHFFFAOYSA-N 0 0 317.458 3.464 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=S)NC(C1CC1)C1CC1 ZINC000734760643 574676533 /nfs/dbraw/zinc/67/65/33/574676533.db2.gz LKEZVORIAAGRBT-UHFFFAOYSA-N 0 0 317.502 3.214 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=S)NC(C2CC2)C2CC2)c1 ZINC000734760681 574676667 /nfs/dbraw/zinc/67/66/67/574676667.db2.gz QOGUYJLCMWFGJJ-JTQLQIEISA-N 0 0 320.458 3.115 20 10 DGCDRN Fc1ccc(NNC(=S)Nc2ccc3c(c2)OCO3)c(F)c1 ZINC000735233945 574693481 /nfs/dbraw/zinc/69/34/81/574693481.db2.gz YQDBTDWZUBPGCT-UHFFFAOYSA-N 0 0 323.324 3.007 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OCc1nonc1C ZINC000735901373 574721659 /nfs/dbraw/zinc/72/16/59/574721659.db2.gz QGSCAGNOPICJHW-UHFFFAOYSA-N 0 0 317.370 3.204 20 10 DGCDRN Cc1cc(O)c(CN2CC[S@](=O)[C@@H](C)[C@H]2C)cc1C(C)C ZINC000736599213 574760450 /nfs/dbraw/zinc/76/04/50/574760450.db2.gz PJQSLLAWTGTZQY-YPENRWOSSA-N 0 0 309.475 3.165 20 10 DGCDRN CC[C@H](C)OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000738568022 574873432 /nfs/dbraw/zinc/87/34/32/574873432.db2.gz HOJULRQHMFHONX-NSHDSACASA-N 0 0 308.333 3.417 20 10 DGCDRN O=C([O-])C[N@H+](Cc1ccc(F)cc1)Cc1cc(Cl)ccc1O ZINC000739796485 574912642 /nfs/dbraw/zinc/91/26/42/574912642.db2.gz GVSDQMYDXDDNDL-UHFFFAOYSA-N 0 0 323.751 3.272 20 10 DGCDRN Oc1ccc2ccccc2c1CN1CCO[C@H](C(F)(F)F)C1 ZINC000739876185 574914472 /nfs/dbraw/zinc/91/44/72/574914472.db2.gz YJOFDGFFFIQHAI-HNNXBMFYSA-N 0 0 311.303 3.309 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)N(C)C2CCCCC2)cc1 ZINC000740423121 574933471 /nfs/dbraw/zinc/93/34/71/574933471.db2.gz BMPULEITHYRSNJ-UHFFFAOYSA-N 0 0 304.434 3.313 20 10 DGCDRN CC(C)C(C)(C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000741091943 574950943 /nfs/dbraw/zinc/95/09/43/574950943.db2.gz KXZSVSCQUHSJSB-UHFFFAOYSA-N 0 0 301.434 3.297 20 10 DGCDRN O=C1N[C@@H](c2cccc(O)c2O)Nc2c3ccccc3sc21 ZINC000742442723 575000616 /nfs/dbraw/zinc/00/06/16/575000616.db2.gz YNSTYBLVGFZFBW-HNNXBMFYSA-N 0 0 312.350 3.167 20 10 DGCDRN Cc1ccc([C@@H](C)C(=O)N(C)Cc2ccc(N(C)C)cc2)o1 ZINC000742496160 575003280 /nfs/dbraw/zinc/00/32/80/575003280.db2.gz VWPXNEDRCKLKOL-CQSZACIVSA-N 0 0 300.402 3.416 20 10 DGCDRN CCc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)s1 ZINC000742951990 575025507 /nfs/dbraw/zinc/02/55/07/575025507.db2.gz FLJCUVBESIKGCG-UHFFFAOYSA-N 0 0 316.426 3.416 20 10 DGCDRN CCc1csc(NC(=O)NCc2ccc(N(C)C)cc2)n1 ZINC000743224381 575039913 /nfs/dbraw/zinc/03/99/13/575039913.db2.gz IRLGXUVLGSBFKY-UHFFFAOYSA-N 0 0 304.419 3.093 20 10 DGCDRN O=C(NCc1ccccc1O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000743326683 575043228 /nfs/dbraw/zinc/04/32/28/575043228.db2.gz GRZNAFCRFJMDDT-PXNSSMCTSA-N 0 0 307.393 3.303 20 10 DGCDRN COc1cccc(CNC(=O)[C@H](C)c2cccc(Cl)c2)c1O ZINC000743332137 575043756 /nfs/dbraw/zinc/04/37/56/575043756.db2.gz MKRTVIIEFMMEIT-LLVKDONJSA-N 0 0 319.788 3.474 20 10 DGCDRN COc1ccc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)c(C)c1 ZINC000743337286 575043789 /nfs/dbraw/zinc/04/37/89/575043789.db2.gz SQMYMLYDYQLJSO-LBPRGKRZSA-N 0 0 315.369 3.209 20 10 DGCDRN Cc1nnc(-c2ccc(NC(=O)C3=CC(=O)CS3)cc2)o1 ZINC000743476393 575053546 /nfs/dbraw/zinc/05/35/46/575053546.db2.gz AUAROADSKRYYBM-UHFFFAOYSA-N 0 0 301.327 3.064 20 10 DGCDRN COC(C)(C)C[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1C ZINC000743657071 575060229 /nfs/dbraw/zinc/06/02/29/575060229.db2.gz ZGTRBAFZSFPLIZ-CQSZACIVSA-N 0 0 321.465 3.064 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CC[C@H](SC)C2)c1 ZINC000743680301 575060794 /nfs/dbraw/zinc/06/07/94/575060794.db2.gz CHDUJBCNSBSAHM-GVXVVHGQSA-N 0 0 324.446 3.045 20 10 DGCDRN Cc1nnc(-c2cccc(NC(=O)C3=CC(=O)CS3)c2)o1 ZINC000743711473 575061909 /nfs/dbraw/zinc/06/19/09/575061909.db2.gz NXYGITSZUHPCPG-UHFFFAOYSA-N 0 0 301.327 3.064 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@](C)(O)C1CC1 ZINC000743715198 575062118 /nfs/dbraw/zinc/06/21/18/575062118.db2.gz JGTSVQNHSUDZAX-QGZVFWFLSA-N 0 0 318.442 3.046 20 10 DGCDRN CN(C)c1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000743717677 575062226 /nfs/dbraw/zinc/06/22/26/575062226.db2.gz RFOOUHRQXKITQN-UHFFFAOYSA-N 0 0 324.424 3.267 20 10 DGCDRN CCCN(Cc1csc(COC)n1)Cc1ccccc1O ZINC000743870206 575066702 /nfs/dbraw/zinc/06/67/02/575066702.db2.gz LCGXYQRKMRGDJW-UHFFFAOYSA-N 0 0 306.431 3.407 20 10 DGCDRN CCOc1ccc(CNC2(c3noc(C)n3)CCCC2)c(O)c1 ZINC000725851321 575932349 /nfs/dbraw/zinc/93/23/49/575932349.db2.gz OEJMCNDAFQJKMK-UHFFFAOYSA-N 0 0 317.389 3.041 20 10 DGCDRN CCOc1ccc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000728984378 575199247 /nfs/dbraw/zinc/19/92/47/575199247.db2.gz PAAZUVZDAFXXLU-LBPRGKRZSA-N 0 0 315.369 3.291 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Cc2ccc(Cl)cc2)c1 ZINC000728985628 575199308 /nfs/dbraw/zinc/19/93/08/575199308.db2.gz ZFMROJKBXZYDLH-LLVKDONJSA-N 0 0 319.788 3.474 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(F)cc2F)c1 ZINC000728983584 575199368 /nfs/dbraw/zinc/19/93/68/575199368.db2.gz BOTGJTJPDDBJBD-SECBINFHSA-N 0 0 307.296 3.170 20 10 DGCDRN O=C(NCc1ccccc1O)c1cnc(-c2ccco2)s1 ZINC000728967455 575198320 /nfs/dbraw/zinc/19/83/20/575198320.db2.gz LPSGLWOFHWFRQX-UHFFFAOYSA-N 0 0 300.339 3.039 20 10 DGCDRN CC(C)CCS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000729485026 575252505 /nfs/dbraw/zinc/25/25/05/575252505.db2.gz UHVDHAGGRBKUMK-UHFFFAOYSA-N 0 0 324.490 3.093 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000744634006 575350710 /nfs/dbraw/zinc/35/07/10/575350710.db2.gz BLNJRQIEYMXZBL-CALCHBBNSA-N 0 0 324.424 3.406 20 10 DGCDRN CC(C)C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000745788538 575417612 /nfs/dbraw/zinc/41/76/12/575417612.db2.gz LXPTZMLBMLBRFN-OAHLLOKOSA-N 0 0 321.440 3.469 20 10 DGCDRN CC(C)[C@@H](C)CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000745834819 575419715 /nfs/dbraw/zinc/41/97/15/575419715.db2.gz OYNZNKIOPPPGAK-ZDUSSCGKSA-N 0 0 304.434 3.362 20 10 DGCDRN CC(C)[C@H](C)CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000745834818 575419894 /nfs/dbraw/zinc/41/98/94/575419894.db2.gz OYNZNKIOPPPGAK-CYBMUJFWSA-N 0 0 304.434 3.362 20 10 DGCDRN COc1cccc(CNC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c1O ZINC000745876738 575420883 /nfs/dbraw/zinc/42/08/83/575420883.db2.gz UTHIGBHMDPPZMI-UMVBOHGHSA-N 0 0 318.417 3.169 20 10 DGCDRN O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])C1=CC(=O)CS1 ZINC000746075092 575430818 /nfs/dbraw/zinc/43/08/18/575430818.db2.gz BKGRUAOLZLMADE-UHFFFAOYSA-N 0 0 313.718 3.372 20 10 DGCDRN CCOc1ccc(N(CC)CCn2c(C)csc2=O)cc1 ZINC000746159653 575437013 /nfs/dbraw/zinc/43/70/13/575437013.db2.gz YBOLRXMTZZNGPM-UHFFFAOYSA-N 0 0 306.431 3.143 20 10 DGCDRN COc1ccc(N(Cc2cccc(C(N)=O)c2)CC(C)C)cc1 ZINC000746170949 575437687 /nfs/dbraw/zinc/43/76/87/575437687.db2.gz ZGRDVMKPXPDBMF-UHFFFAOYSA-N 0 0 312.413 3.457 20 10 DGCDRN COc1ccc(N(Cc2ccc(C(N)=O)cc2)CC(C)C)cc1 ZINC000746170877 575437720 /nfs/dbraw/zinc/43/77/20/575437720.db2.gz XQDUKLFCXAAAQX-UHFFFAOYSA-N 0 0 312.413 3.457 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)c1cccnc1 ZINC000746173673 575438361 /nfs/dbraw/zinc/43/83/61/575438361.db2.gz KFBCUGDNYZQSIU-HNNXBMFYSA-N 0 0 311.429 3.300 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3scnc3Cl)ccc21 ZINC000746814222 575476407 /nfs/dbraw/zinc/47/64/07/575476407.db2.gz HNLCBFKPZQCSON-UHFFFAOYSA-N 0 0 321.833 3.109 20 10 DGCDRN CC[C@@H](SC)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000746840047 575478054 /nfs/dbraw/zinc/47/80/54/575478054.db2.gz XSLVGLZBIILTKL-MRXNPFEDSA-N 0 0 306.475 3.435 20 10 DGCDRN CCCN(CC(C)C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000746975584 575487056 /nfs/dbraw/zinc/48/70/56/575487056.db2.gz JVYGOLXUBFQRHU-UHFFFAOYSA-N 0 0 309.429 3.469 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2C[C@@H](C)CC2(C)C)c([N+](=O)[O-])c1 ZINC000747227041 575507298 /nfs/dbraw/zinc/50/72/98/575507298.db2.gz WPKYKDFBNDSUPW-VFFGBVLKSA-N 0 0 318.373 3.406 20 10 DGCDRN CC(C)n1cc(NC(=O)N(C)Cc2ccc(N(C)C)cc2)cn1 ZINC000747556086 575524898 /nfs/dbraw/zinc/52/48/98/575524898.db2.gz NCXQYUVGRKAVAM-UHFFFAOYSA-N 0 0 315.421 3.194 20 10 DGCDRN COc1ccc(N(CC(C)C)C[C@H](O)COCC(C)C)cc1 ZINC000747683172 575532617 /nfs/dbraw/zinc/53/26/17/575532617.db2.gz SHPXDEBBYXYDNH-KRWDZBQOSA-N 0 0 309.450 3.191 20 10 DGCDRN Cc1cc(C(=O)NCc2c[nH]nc2C)c(C)n1-c1ccccc1C ZINC000747875111 575547417 /nfs/dbraw/zinc/54/74/17/575547417.db2.gz JXVGECUEPLJJRD-UHFFFAOYSA-N 0 0 322.412 3.364 20 10 DGCDRN Cc1nnc(-c2ccc(C(=O)N(C)Cc3ccccc3O)cc2)o1 ZINC000748026979 575557099 /nfs/dbraw/zinc/55/70/99/575557099.db2.gz JLQHONQHTDAULC-UHFFFAOYSA-N 0 0 323.352 3.023 20 10 DGCDRN COc1cccc(CNC(=S)Nc2cccc(Cl)c2)n1 ZINC000748044857 575558249 /nfs/dbraw/zinc/55/82/49/575558249.db2.gz MNYSSFWLOCFHKQ-UHFFFAOYSA-N 0 0 307.806 3.230 20 10 DGCDRN COc1cccc(CNC(=S)Nc2cccc(C)c2C)n1 ZINC000748045002 575558356 /nfs/dbraw/zinc/55/83/56/575558356.db2.gz UCZCJLLTHZMRGT-UHFFFAOYSA-N 0 0 301.415 3.194 20 10 DGCDRN CC(C)n1c(CNC(=O)C2=CC(=O)CS2)nc2ccccc21 ZINC000748321362 575580614 /nfs/dbraw/zinc/58/06/14/575580614.db2.gz KVBQWSWVNLHSPH-UHFFFAOYSA-N 0 0 315.398 3.314 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1nc(C(F)(F)F)cs1 ZINC000748326078 575580630 /nfs/dbraw/zinc/58/06/30/575580630.db2.gz YJJXBQVUEGJMIO-UHFFFAOYSA-N 0 0 317.292 3.189 20 10 DGCDRN COc1ccc(CCC(=O)NCc2ccccc2O)cc1Cl ZINC000748345710 575581254 /nfs/dbraw/zinc/58/12/54/575581254.db2.gz IRROGVJZKWWDJB-UHFFFAOYSA-N 0 0 319.788 3.303 20 10 DGCDRN O=C(CCCCC(=O)c1ccccc1)NCc1ccccc1O ZINC000748344822 575581437 /nfs/dbraw/zinc/58/14/37/575581437.db2.gz CMTZIWWMVMCHBN-UHFFFAOYSA-N 0 0 311.381 3.452 20 10 DGCDRN O=C(CCCOc1ccccc1F)NCc1ccccc1O ZINC000748345900 575581551 /nfs/dbraw/zinc/58/15/51/575581551.db2.gz QXFQKJMGEPSBER-UHFFFAOYSA-N 0 0 303.333 3.007 20 10 DGCDRN O=C(NCc1cccc(C(F)(F)F)c1)NCc1ccccc1O ZINC000748463556 575588476 /nfs/dbraw/zinc/58/84/76/575588476.db2.gz WHYXKNHWCXLRAQ-UHFFFAOYSA-N 0 0 324.302 3.410 20 10 DGCDRN O=C(NC[C@@H]1SCCc2ccccc21)C1=CC(=O)CS1 ZINC000749543153 575664374 /nfs/dbraw/zinc/66/43/74/575664374.db2.gz AUPYMPSFNFPKDW-AWEZNQCLSA-N 0 0 305.424 3.214 20 10 DGCDRN CO[C@H](C)CC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000749565475 575664880 /nfs/dbraw/zinc/66/48/80/575664880.db2.gz RQDPYDDPFRRTDA-OAHLLOKOSA-N 0 0 314.429 3.178 20 10 DGCDRN Cc1noc(C)c1[C@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000749837913 575682499 /nfs/dbraw/zinc/68/24/99/575682499.db2.gz HASOUSDMEZKUJX-LBPRGKRZSA-N 0 0 315.417 3.120 20 10 DGCDRN CCCN(C(=O)/C=C\c1cnc2ccccc2n1)c1cccnc1 ZINC000750127593 575706640 /nfs/dbraw/zinc/70/66/40/575706640.db2.gz AUVLVURIGQCLPE-KTKRTIGZSA-N 0 0 318.380 3.481 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)OCO2 ZINC000750862160 575756515 /nfs/dbraw/zinc/75/65/15/575756515.db2.gz VLMSHKIRBSEBHB-UHFFFAOYSA-N 0 0 313.353 3.173 20 10 DGCDRN O=C(/C=C/c1cccnc1)N(CC(F)(F)F)c1ccccn1 ZINC000751108776 575771030 /nfs/dbraw/zinc/77/10/30/575771030.db2.gz UAYRFXUNOLHXOO-VOTSOKGWSA-N 0 0 307.275 3.085 20 10 DGCDRN O=S(=O)(/C=C/c1ccccc1Cl)NCc1ccccc1O ZINC000751151686 575772164 /nfs/dbraw/zinc/77/21/64/575772164.db2.gz UKRHHVFZIVFNLU-MDZDMXLPSA-N 0 0 323.801 3.136 20 10 DGCDRN CC(C)c1ccc(S(=O)(=O)N(C)Cc2ccccc2O)cc1 ZINC000751239692 575777180 /nfs/dbraw/zinc/77/71/80/575777180.db2.gz LYRJZPZZALKJLH-UHFFFAOYSA-N 0 0 319.426 3.336 20 10 DGCDRN Cn1cc(/C=C\C(=O)N2CC3(CCCC3)c3ccccc32)cn1 ZINC000751311050 575779515 /nfs/dbraw/zinc/77/95/15/575779515.db2.gz FCLRZBKCOMULBN-HJWRWDBZSA-N 0 0 307.397 3.292 20 10 DGCDRN Cc1ccccc1Cc1nc(CN(C)Cc2ccccc2O)no1 ZINC000751477557 575786537 /nfs/dbraw/zinc/78/65/37/575786537.db2.gz FTOZGMJMHWUMHG-UHFFFAOYSA-N 0 0 323.396 3.306 20 10 DGCDRN Cc1ccc(C(=O)NCCCn2ccc3ccccc32)c(O)c1O ZINC000751532800 575789625 /nfs/dbraw/zinc/78/96/25/575789625.db2.gz GOVBJJBQBDNUBD-UHFFFAOYSA-N 0 0 324.380 3.181 20 10 DGCDRN Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C2CC2)c(O)c1O ZINC000751538645 575789759 /nfs/dbraw/zinc/78/97/59/575789759.db2.gz UENVYDDVCJPILT-MRXNPFEDSA-N 0 0 311.381 3.157 20 10 DGCDRN C[Si](C)(C)COC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000751930616 575812622 /nfs/dbraw/zinc/81/26/22/575812622.db2.gz IFYYNBIMLUUNKQ-UHFFFAOYSA-N 0 0 320.490 3.350 20 10 DGCDRN CO[C@@H](C)c1nc(CNCc2cc(Cl)ccc2O)cs1 ZINC000752266469 575829865 /nfs/dbraw/zinc/82/98/65/575829865.db2.gz QTOBWPQFSXGUOZ-VIFPVBQESA-N 0 0 312.822 3.499 20 10 DGCDRN C[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])Cn1cccn1 ZINC000725847438 575929231 /nfs/dbraw/zinc/92/92/31/575929231.db2.gz LRISZCLXVYBOSO-SNVBAGLBSA-N 0 0 314.216 3.321 20 10 DGCDRN CC(C)(CNC(=O)NCc1ccccc1O)c1ccccc1F ZINC000726251073 576013813 /nfs/dbraw/zinc/01/38/13/576013813.db2.gz RFPMLNGJAAZBKX-UHFFFAOYSA-N 0 0 316.376 3.308 20 10 DGCDRN COc1ccc(-n2c(C)cc(C(=O)Nc3cc[nH]n3)c2C)cc1 ZINC000726528875 576030434 /nfs/dbraw/zinc/03/04/34/576030434.db2.gz JQJMXTMICJPYRF-UHFFFAOYSA-N 0 0 310.357 3.078 20 10 DGCDRN CC/C=C(\C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000726562988 576030977 /nfs/dbraw/zinc/03/09/77/576030977.db2.gz UEPCMINRFZYDIK-LHHJGKSTSA-N 0 0 302.418 3.137 20 10 DGCDRN CCC(C)(C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000726753998 576039355 /nfs/dbraw/zinc/03/93/55/576039355.db2.gz LPAYYKIPQJQPDY-CQSZACIVSA-N 0 0 304.434 3.137 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000739926604 576053148 /nfs/dbraw/zinc/05/31/48/576053148.db2.gz IJSMXBSOGKRPSI-RHSMWYFYSA-N 0 0 304.434 3.216 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCC(C)(C)CC2)cc1F ZINC000727033468 576096616 /nfs/dbraw/zinc/09/66/16/576096616.db2.gz VLAAFYLOKXZWHL-UHFFFAOYSA-N 0 0 307.413 3.223 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1c[nH]nc1C ZINC000728190585 576167364 /nfs/dbraw/zinc/16/73/64/576167364.db2.gz KAZOPRVYHSZDOE-UHFFFAOYSA-N 0 0 322.412 3.364 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cc(C)on2)cc1 ZINC000728222229 576169939 /nfs/dbraw/zinc/16/99/39/576169939.db2.gz AQJSBKFYDXWARH-UHFFFAOYSA-N 0 0 301.390 3.101 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cnc(C)nc2)cc1 ZINC000728478507 576184188 /nfs/dbraw/zinc/18/41/88/576184188.db2.gz CFZZYRVFFOCMAU-UHFFFAOYSA-N 0 0 306.369 3.445 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)O[C@H](C)C(C)=O)ccc21 ZINC000728639700 576193090 /nfs/dbraw/zinc/19/30/90/576193090.db2.gz SSFKZGOCSNBUQM-CQSZACIVSA-N 0 0 317.385 3.039 20 10 DGCDRN CC(/C=C1\C(=O)NN(c2ccccc2)C1=O)=C/c1ccccc1 ZINC000728696740 576195535 /nfs/dbraw/zinc/19/55/35/576195535.db2.gz BPZSSABPRQNAQV-XSZMWJROSA-N 0 0 304.349 3.094 20 10 DGCDRN CC(C)[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000852649307 620637162 /nfs/dbraw/zinc/63/71/62/620637162.db2.gz GZQMAQIHKBGKDP-QGZVFWFLSA-N 0 0 303.450 3.329 20 10 DGCDRN O=C(CCC1CCCCC1)OCC(=O)c1ccc(O)c(O)c1 ZINC000916590450 620637416 /nfs/dbraw/zinc/63/74/16/620637416.db2.gz BKCSBIOPYXLLKW-UHFFFAOYSA-N 0 0 306.358 3.184 20 10 DGCDRN CC(C)[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000852649825 620637442 /nfs/dbraw/zinc/63/74/42/620637442.db2.gz UOVUMHPPIINUOL-MRXNPFEDSA-N 0 0 307.413 3.126 20 10 DGCDRN CCc1noc(CN(Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000917075468 620654896 /nfs/dbraw/zinc/65/48/96/620654896.db2.gz WMMQIHXDSPYHAO-UHFFFAOYSA-N 0 0 302.422 3.109 20 10 DGCDRN COc1ccc(N(CCN2CCCC2=O)Cc2ccccc2)cc1 ZINC000917085734 620656211 /nfs/dbraw/zinc/65/62/11/620656211.db2.gz ZYEJNIPCADSEHV-UHFFFAOYSA-N 0 0 324.424 3.324 20 10 DGCDRN Cc1cc(C(=O)N(C)Cc2ccccc2O)nn1-c1ccccc1 ZINC000917311972 620663373 /nfs/dbraw/zinc/66/33/73/620663373.db2.gz MRMCCYLAKJSDPS-UHFFFAOYSA-N 0 0 321.380 3.159 20 10 DGCDRN CCOc1ccccc1CCC(=O)N(C)Cc1ccccc1O ZINC000917309070 620664270 /nfs/dbraw/zinc/66/42/70/620664270.db2.gz GWQNXEOBLWRVMG-UHFFFAOYSA-N 0 0 313.397 3.382 20 10 DGCDRN CC(C)CNC(=S)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917594622 620677509 /nfs/dbraw/zinc/67/75/09/620677509.db2.gz GEMVRNHGCZSGHB-UHFFFAOYSA-N 0 0 305.491 3.248 20 10 DGCDRN O=C1CCCN1[C@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000111171231 620678674 /nfs/dbraw/zinc/67/86/74/620678674.db2.gz IIAXNYBOEXDOKY-INIZCTEOSA-N 0 0 324.424 3.132 20 10 DGCDRN Cc1cc(CC(=O)O[C@@H](C)c2nc[nH]n2)c(C)n1-c1ccccc1 ZINC000853228048 620680171 /nfs/dbraw/zinc/68/01/71/620680171.db2.gz WLHMJBFLFPHPKR-AWEZNQCLSA-N 0 0 324.384 3.059 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cc(F)cc(F)c1[O-] ZINC000853242057 620681543 /nfs/dbraw/zinc/68/15/43/620681543.db2.gz ZUPRWVGLYZETHW-TZMCWYRMSA-N 0 0 324.415 3.443 20 10 DGCDRN CC(C)CCC[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1O ZINC000111235920 620684973 /nfs/dbraw/zinc/68/49/73/620684973.db2.gz PSGIKSVSMWDVLY-OAHLLOKOSA-N 0 0 306.450 3.155 20 10 DGCDRN Cc1ncc(/C=C/C(=O)N2CCOc3cc(C)ccc32)s1 ZINC000154669459 620702969 /nfs/dbraw/zinc/70/29/69/620702969.db2.gz GXWWLGXEFJXITO-GQCTYLIASA-N 0 0 300.383 3.199 20 10 DGCDRN O=C(c1ccccc1)c1ccc(O)c(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1[O-] ZINC000853576928 620711872 /nfs/dbraw/zinc/71/18/72/620711872.db2.gz GXWAYFPZTYFNND-GJZGRUSLSA-N 0 0 323.392 3.171 20 10 DGCDRN Cc1nnc(CN(C)Cc2cc(C(C)(C)C)cc(O)c2O)s1 ZINC000853617865 620716556 /nfs/dbraw/zinc/71/65/56/620716556.db2.gz RJUQMXMUVDECCG-UHFFFAOYSA-N 0 0 321.446 3.187 20 10 DGCDRN CCC[C@H](O)CNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000154804640 620723378 /nfs/dbraw/zinc/72/33/78/620723378.db2.gz ZNQQWNMIYRITDX-INIZCTEOSA-N 0 0 318.392 3.124 20 10 DGCDRN COc1ccc(N2CC[C@@H](Nc3ccnc(C4CC4)n3)C2)cc1 ZINC000853759231 620734463 /nfs/dbraw/zinc/73/44/63/620734463.db2.gz PTURZRAVUFBUNH-CQSZACIVSA-N 0 0 310.401 3.053 20 10 DGCDRN COc1ccc(N2CC[C@@H](Nc3ncc(Cl)s3)C2)cc1 ZINC000853758170 620734469 /nfs/dbraw/zinc/73/44/69/620734469.db2.gz AXPIEHIATURTON-SNVBAGLBSA-N 0 0 309.822 3.496 20 10 DGCDRN COc1ccc(N2CC[C@@H](Nc3nc(C)nc(C)c3C)C2)cc1 ZINC000853759570 620734507 /nfs/dbraw/zinc/73/45/07/620734507.db2.gz WQHPPMBKXUEJQU-OAHLLOKOSA-N 0 0 312.417 3.101 20 10 DGCDRN Clc1cc(OC[C@@H]2COCCO2)ccc1N1CCCCC1 ZINC000853726513 620729888 /nfs/dbraw/zinc/72/98/88/620729888.db2.gz XBCPYVKDNFEWQZ-AWEZNQCLSA-N 0 0 311.809 3.125 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@H](C)C2CCC(F)CC2)c1 ZINC000853736596 620730946 /nfs/dbraw/zinc/73/09/46/620730946.db2.gz HPYZJPWBMHQVJN-LKSINWNRSA-N 0 0 324.396 3.117 20 10 DGCDRN COc1ccc(N2CC[C@H](Nc3nc(C)nc(C)c3C)C2)cc1 ZINC000853759569 620734271 /nfs/dbraw/zinc/73/42/71/620734271.db2.gz WQHPPMBKXUEJQU-HNNXBMFYSA-N 0 0 312.417 3.101 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1cccc(Cl)c1[O-] ZINC000806161955 617632297 /nfs/dbraw/zinc/63/22/97/617632297.db2.gz PSUSJKMNNIKJIK-ZANVPECISA-N 0 0 321.812 3.169 20 10 DGCDRN COCC1(C(=O)NCc2cccc(Cl)c2O)CCCCC1 ZINC000890760962 617657040 /nfs/dbraw/zinc/65/70/40/617657040.db2.gz GRQSSRFTKIHJNL-UHFFFAOYSA-N 0 0 311.809 3.259 20 10 DGCDRN C[C@H]1CCCC[C@@H]1OCC(=O)NCc1cccc(Cl)c1O ZINC000890760586 617657282 /nfs/dbraw/zinc/65/72/82/617657282.db2.gz UHXYNRHSPYHXGA-FZMZJTMJSA-N 0 0 311.809 3.257 20 10 DGCDRN Cc1ccc(C(=O)NCc2cc(Br)ccc2O)cc1 ZINC000804738454 617662051 /nfs/dbraw/zinc/66/20/51/617662051.db2.gz QJZTUGCYNPROPZ-UHFFFAOYSA-N 0 0 320.186 3.393 20 10 DGCDRN CCC1(C(=O)NCc2cc(Br)ccc2O)CCC1 ZINC000804734641 617662115 /nfs/dbraw/zinc/66/21/15/617662115.db2.gz UPZTYLCHEVIWBW-UHFFFAOYSA-N 0 0 312.207 3.351 20 10 DGCDRN CC[C@H]([NH2+]C[C@H]1COCCO1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806132376 617667923 /nfs/dbraw/zinc/66/79/23/617667923.db2.gz VPHMFWBEJMKFCI-GWCFXTLKSA-N 0 0 320.216 3.155 20 10 DGCDRN Oc1ccc(Br)cc1CNc1ccncc1Cl ZINC000804828725 617680762 /nfs/dbraw/zinc/68/07/62/617680762.db2.gz XTFKFBJNHDUMCC-UHFFFAOYSA-N 0 0 313.582 3.237 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@H](CCF)C2)cc1OC ZINC000853855667 620746373 /nfs/dbraw/zinc/74/63/73/620746373.db2.gz ZSZQFMRFEQVDRW-LLVKDONJSA-N 0 0 312.341 3.188 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@H]2CCC[C@@H]21 ZINC000892005320 617943606 /nfs/dbraw/zinc/94/36/06/617943606.db2.gz SNUZMDPPFLXQKP-WMZOPIPTSA-N 0 0 313.445 3.371 20 10 DGCDRN C[C@@H]1c2sccc2CCN1C(=O)NCCc1ccc(N)cc1 ZINC000892038740 617949342 /nfs/dbraw/zinc/94/93/42/617949342.db2.gz JBSGDKPAWOSOGQ-GFCCVEGCSA-N 0 0 315.442 3.202 20 10 DGCDRN CC1(C)Nc2ccccc2[C@@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000892038973 617949622 /nfs/dbraw/zinc/94/96/22/617949622.db2.gz MVNZQYQCCRNNEE-KRWDZBQOSA-N 0 0 324.428 3.056 20 10 DGCDRN CCOC(=O)c1cc(C(C)C)nc(NCc2ccccc2O)n1 ZINC000892161762 617977597 /nfs/dbraw/zinc/97/75/97/617977597.db2.gz QDJGFQMDTWUUMG-UHFFFAOYSA-N 0 0 315.373 3.094 20 10 DGCDRN CCCCCc1cc(-c2nc(Cc3ccc(N)cc3)no2)n[nH]1 ZINC000854133450 620772139 /nfs/dbraw/zinc/77/21/39/620772139.db2.gz BUTMZBLRFJTWQB-UHFFFAOYSA-N 0 0 311.389 3.365 20 10 DGCDRN CC(=O)c1c(F)cncc1NCCCSc1nccs1 ZINC000892515616 618095053 /nfs/dbraw/zinc/09/50/53/618095053.db2.gz UQRHCORVGQRZSX-UHFFFAOYSA-N 0 0 311.407 3.474 20 10 DGCDRN CCOCc1nc(C)cc(NCCCSc2nccs2)n1 ZINC000892515497 618095344 /nfs/dbraw/zinc/09/53/44/618095344.db2.gz TYHXWJLTSZRWOP-UHFFFAOYSA-N 0 0 324.475 3.372 20 10 DGCDRN COC(=O)c1nc(NCc2ccc(N(C)C)cc2C)ccc1C ZINC000892563191 618109330 /nfs/dbraw/zinc/10/93/30/618109330.db2.gz BPRHHUJEIPZXEM-UHFFFAOYSA-N 0 0 313.401 3.163 20 10 DGCDRN CCC[C@H](C)N(C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854300877 620792339 /nfs/dbraw/zinc/79/23/39/620792339.db2.gz CHRNECNNIQWNNR-LSDHHAIUSA-N 0 0 319.449 3.104 20 10 DGCDRN COc1cccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1C ZINC000854324759 620795292 /nfs/dbraw/zinc/79/52/92/620795292.db2.gz OJAKEMKMJFUXQB-UHFFFAOYSA-N 0 0 312.413 3.342 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1c(Cl)cnn1C ZINC000854373728 620798809 /nfs/dbraw/zinc/79/88/09/620798809.db2.gz KSUWKBDSOXDVDP-UHFFFAOYSA-N 0 0 321.808 3.222 20 10 DGCDRN COc1ccc(CN2CCCOc3ccccc32)c(O)c1OC ZINC000894530230 618372545 /nfs/dbraw/zinc/37/25/45/618372545.db2.gz RURDDDOIUKBWFK-UHFFFAOYSA-N 0 0 315.369 3.199 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCCSC[C@@H]1C ZINC000893052222 618405067 /nfs/dbraw/zinc/40/50/67/618405067.db2.gz DLGHPSTWRGZVKH-AWEZNQCLSA-N 0 0 321.490 3.098 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)c1cncs1 ZINC000893053664 618405996 /nfs/dbraw/zinc/40/59/96/618405996.db2.gz PIXQGHYMYBZJEA-LBPRGKRZSA-N 0 0 318.446 3.078 20 10 DGCDRN CC[N@H+](Cc1cc(Cl)cc(Br)c1[O-])[C@H](C)CO ZINC000894831291 618469883 /nfs/dbraw/zinc/46/98/83/618469883.db2.gz NFAJGQKOGVTJLV-MRVPVSSYSA-N 0 0 322.630 3.011 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000894872203 618484398 /nfs/dbraw/zinc/48/43/98/618484398.db2.gz ZRZOWLGSLYODIS-UHFFFAOYSA-N 0 0 311.372 3.188 20 10 DGCDRN [O-]c1c(Br)cccc1CN1CC(C(F)(F)F)C1 ZINC000894891847 618489616 /nfs/dbraw/zinc/48/96/16/618489616.db2.gz FVTBYMXCIPTZFQ-UHFFFAOYSA-N 0 0 310.113 3.149 20 10 DGCDRN CCc1cccc(CN(C)[C@H](c2nc[nH]n2)c2ccccc2)c1O ZINC000894960600 618502978 /nfs/dbraw/zinc/50/29/78/618502978.db2.gz AQODOUWBXCRPLD-KRWDZBQOSA-N 0 0 322.412 3.294 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCO[C@H](C)CC1 ZINC000928533548 618537871 /nfs/dbraw/zinc/53/78/71/618537871.db2.gz SQECCQXLTHLYAB-CQSZACIVSA-N 0 0 318.442 3.407 20 10 DGCDRN COC(=O)c1cnc(SC[C@@H]2CCCC(C)(C)O2)s1 ZINC000882174235 618543209 /nfs/dbraw/zinc/54/32/09/618543209.db2.gz QDDOBAWGTOJPBP-VIFPVBQESA-N 0 0 301.433 3.370 20 10 DGCDRN CCN(C(=O)C1=CC(=O)CS1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000854564440 620818080 /nfs/dbraw/zinc/81/80/80/620818080.db2.gz YMTGQOUMTHNNAO-NHYWBVRUSA-N 0 0 305.399 3.038 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2ccc(Cl)c(C)c2)c1 ZINC000150787859 618600593 /nfs/dbraw/zinc/60/05/93/618600593.db2.gz YAQYUVRXBSLYKQ-UHFFFAOYSA-N 0 0 305.761 3.293 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ccc2c(c1)NC(=O)CO2 ZINC000840929398 618603137 /nfs/dbraw/zinc/60/31/37/618603137.db2.gz KTOJTYNQIOLHBY-UHFFFAOYSA-N 0 0 311.385 3.004 20 10 DGCDRN COC(=O)[C@@H](C)c1cccc(NCc2cccc(OC)c2O)c1 ZINC000840956903 618631615 /nfs/dbraw/zinc/63/16/15/618631615.db2.gz AFTDXOIOHUTVJG-LBPRGKRZSA-N 0 0 315.369 3.289 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H](CCO)c1cccs1 ZINC000790971123 618653872 /nfs/dbraw/zinc/65/38/72/618653872.db2.gz QDMGAVXAONZJNL-LLVKDONJSA-N 0 0 315.797 3.460 20 10 DGCDRN C[N@H+](Cc1cc(Br)cc(F)c1[O-])[C@@H]1CCSC1 ZINC000893928844 618677710 /nfs/dbraw/zinc/67/77/10/618677710.db2.gz GFTCMZJEWZWBNQ-SNVBAGLBSA-N 0 0 320.227 3.231 20 10 DGCDRN COc1ccc(C[N@H+](C)Cc2ccccc2O)c(F)c1OC ZINC000893962755 618681086 /nfs/dbraw/zinc/68/10/86/618681086.db2.gz SMBLLRABRATYFC-UHFFFAOYSA-N 0 0 305.349 3.181 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000894026141 618696720 /nfs/dbraw/zinc/69/67/20/618696720.db2.gz KZQUAPGERNEGKH-KRWDZBQOSA-N 0 0 319.351 3.152 20 10 DGCDRN CCc1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)nc1 ZINC000881209131 625288207 /nfs/dbraw/zinc/28/82/07/625288207.db2.gz SWNCUZJWPUQVIU-UHFFFAOYSA-N 0 0 322.412 3.342 20 10 DGCDRN COCCC1(CNC(=O)Nc2ccc(N)cc2)CCCCC1 ZINC000841296579 618780424 /nfs/dbraw/zinc/78/04/24/618780424.db2.gz VVJOWACNEDTMPZ-UHFFFAOYSA-N 0 0 305.422 3.377 20 10 DGCDRN Cc1cccc(O)c1CN=[S@@](C)(=O)c1ccc(N(C)C)cc1 ZINC000895729525 618824457 /nfs/dbraw/zinc/82/44/57/618824457.db2.gz LUWQQXBCZKQLSC-QFIPXVFZSA-N 0 0 318.442 3.424 20 10 DGCDRN Oc1cccc(F)c1CNc1nccn2nc(C3CCC3)cc12 ZINC000895832459 618839124 /nfs/dbraw/zinc/83/91/24/618839124.db2.gz HAFXWKFJUHZYBP-UHFFFAOYSA-N 0 0 312.348 3.454 20 10 DGCDRN CO[C@]12CCC[C@@]1([NH2+]Cc1cc(Cl)c(C)cc1O)CCO2 ZINC000896412055 618909213 /nfs/dbraw/zinc/90/92/13/618909213.db2.gz LOWIFLMGILOZPA-CVEARBPZSA-N 0 0 311.809 3.129 20 10 DGCDRN C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H](C)S1 ZINC000896701036 618945619 /nfs/dbraw/zinc/94/56/19/618945619.db2.gz MAAMRCBHKDMHSE-RKDXNWHRSA-N 0 0 323.439 3.279 20 10 DGCDRN C[C@@H]1C[C@@H](NC(=O)NCc2cccc(Cl)c2O)CCS1 ZINC000896706558 618946805 /nfs/dbraw/zinc/94/68/05/618946805.db2.gz VDSBEXCLHRFPBY-KOLCDFICSA-N 0 0 314.838 3.129 20 10 DGCDRN CCCN(CCC)c1ccc(CN[C@H](C)c2ncnn2C)cc1 ZINC000788971100 625308688 /nfs/dbraw/zinc/30/86/88/625308688.db2.gz FSBMIKOFBQBWNS-OAHLLOKOSA-N 0 0 315.465 3.292 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1CCn2nc(C3CC3)cc2C1 ZINC000896938287 618989042 /nfs/dbraw/zinc/98/90/42/618989042.db2.gz NUHHUAXQQKWAEI-UHFFFAOYSA-N 0 0 310.445 3.151 20 10 DGCDRN CN(CCOC(C)(C)C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897051591 619009272 /nfs/dbraw/zinc/00/92/72/619009272.db2.gz INRWZQRLZSIGFA-UHFFFAOYSA-N 0 0 323.414 3.200 20 10 DGCDRN Cc1cc(Cn2cc(COc3ccc(N)cc3)nn2)c(C)s1 ZINC000881276128 625310894 /nfs/dbraw/zinc/31/08/94/625310894.db2.gz VEMVZFMRYDCVAQ-UHFFFAOYSA-N 0 0 314.414 3.166 20 10 DGCDRN CC[C@@H](CSC)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897307061 619050886 /nfs/dbraw/zinc/05/08/86/619050886.db2.gz GUICBRZJNALFSV-VIFPVBQESA-N 0 0 311.428 3.184 20 10 DGCDRN Cc1ccsc1[C@H]1C[C@H]1C(=O)NCc1c(O)cccc1F ZINC000928705511 619058963 /nfs/dbraw/zinc/05/89/63/619058963.db2.gz KQJOMGIFSSEKLB-WDEREUQCSA-N 0 0 305.374 3.321 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000928708725 619059537 /nfs/dbraw/zinc/05/95/37/619059537.db2.gz RQXOXUYFZCLQBN-IUCAKERBSA-N 0 0 305.271 3.126 20 10 DGCDRN CN(C)c1ccc(C[NH2+][C@@H](CCC(C)(C)C)C(=O)[O-])cc1F ZINC000840998614 619110841 /nfs/dbraw/zinc/11/08/41/619110841.db2.gz KOGIQCQRBLXRNJ-AWEZNQCLSA-N 0 0 310.413 3.261 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000897432931 619118972 /nfs/dbraw/zinc/11/89/72/619118972.db2.gz SDDLQOPYSPJCPL-UHFFFAOYSA-N 0 0 323.799 3.471 20 10 DGCDRN C[C@H]([NH2+]CCc1ccc(CO)cc1)c1ccc(Cl)cc1[O-] ZINC000841751916 619149828 /nfs/dbraw/zinc/14/98/28/619149828.db2.gz OLVBGVNBQNBDBM-LBPRGKRZSA-N 0 0 305.805 3.431 20 10 DGCDRN CCCOc1ccc(CNC2(c3nc(C)no3)CC2)cc1C ZINC000897895568 619193036 /nfs/dbraw/zinc/19/30/36/619193036.db2.gz BREIZZFBCFVZRS-UHFFFAOYSA-N 0 0 301.390 3.254 20 10 DGCDRN CCC(C)(C)OCCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897949409 619198060 /nfs/dbraw/zinc/19/80/60/619198060.db2.gz VSXSHHHOEWPUSL-UHFFFAOYSA-N 0 0 323.414 3.248 20 10 DGCDRN C[C@H]1[C@@H](C)N(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H]1C ZINC000897989708 619203949 /nfs/dbraw/zinc/20/39/49/619203949.db2.gz PORIVGVXTVYRMX-OPRDCNLKSA-N 0 0 305.399 3.429 20 10 DGCDRN CCc1cccc(CNc2ccnn2[C@@H]2CCCOC2)c1O ZINC000898088491 619211299 /nfs/dbraw/zinc/21/12/99/619211299.db2.gz DZZCWZPTLUGXBQ-OAHLLOKOSA-N 0 0 301.390 3.115 20 10 DGCDRN C[C@]1(Br)C[C@H]1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898215797 619222403 /nfs/dbraw/zinc/22/24/03/619222403.db2.gz QYAKPMISRWYEOD-CABZTGNLSA-N 0 0 304.615 3.309 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(C2CC2)nn1C)c1cc(F)cc(F)c1[O-] ZINC000927101685 619265883 /nfs/dbraw/zinc/26/58/83/619265883.db2.gz LSZVXFMLIMGVCM-VIFPVBQESA-N 0 0 307.344 3.132 20 10 DGCDRN C[C@H](NC(=O)C[C@H]1CCC2(CCC2)CO1)c1ccccc1O ZINC000899182119 619316202 /nfs/dbraw/zinc/31/62/02/619316202.db2.gz SARLQUCQQLYGMG-UONOGXRCSA-N 0 0 303.402 3.309 20 10 DGCDRN COc1c(C)cnc(CNC(=S)Nc2cccc(F)c2)c1C ZINC000899463888 619344128 /nfs/dbraw/zinc/34/41/28/619344128.db2.gz MGWCFCIBTBEXPI-UHFFFAOYSA-N 0 0 319.405 3.333 20 10 DGCDRN O=C(CC1CC1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000128942084 625335778 /nfs/dbraw/zinc/33/57/78/625335778.db2.gz FKMALLFQUCIFSR-UHFFFAOYSA-N 0 0 305.333 3.201 20 10 DGCDRN CC(C)(C)OCCCCn1cc(COc2ccc(N)cc2)nn1 ZINC000881350927 625349847 /nfs/dbraw/zinc/34/98/47/625349847.db2.gz ZYYVDEJJMRNCHG-UHFFFAOYSA-N 0 0 318.421 3.035 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCSC3(CCC3)C2)c1 ZINC000927282392 619498811 /nfs/dbraw/zinc/49/88/11/619498811.db2.gz XYEHYRMKXWHINB-CQSZACIVSA-N 0 0 320.458 3.318 20 10 DGCDRN CCN(CC)c1ccc(CNc2cccn(CC)c2=O)cc1F ZINC000902121451 619592613 /nfs/dbraw/zinc/59/26/13/619592613.db2.gz HZRQEGAUBNEZMA-UHFFFAOYSA-N 0 0 317.408 3.466 20 10 DGCDRN Cc1nn(C)c(NCc2cc(C)ccc2O)c1Br ZINC000902230664 619605480 /nfs/dbraw/zinc/60/54/80/619605480.db2.gz JXTHEECWKPDYGG-UHFFFAOYSA-N 0 0 310.195 3.117 20 10 DGCDRN CC[C@H]([NH2+]Cc1cc(N(C)C)ccn1)c1ccc(F)cc1[O-] ZINC000903198581 619735120 /nfs/dbraw/zinc/73/51/20/619735120.db2.gz MOBFWRVLOKOVPW-INIZCTEOSA-N 0 0 303.381 3.233 20 10 DGCDRN C[C@@H]([NH2+][C@@H](CO)CCc1ccccc1)c1c([O-])cccc1F ZINC000903292677 619752087 /nfs/dbraw/zinc/75/20/87/619752087.db2.gz KCSZSICFMCAQDJ-UKRRQHHQSA-N 0 0 303.377 3.176 20 10 DGCDRN Cc1ccc([C@H](C)NCc2ncc(Br)cn2)c(O)c1 ZINC000903320194 619755426 /nfs/dbraw/zinc/75/54/26/619755426.db2.gz FAQWJIUYWFHCRW-JTQLQIEISA-N 0 0 322.206 3.104 20 10 DGCDRN C[C@@H]([NH2+]C1CC(CCO)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000903334209 619759045 /nfs/dbraw/zinc/75/90/45/619759045.db2.gz XYCCMRHEDRRMNE-KPPDAEKUSA-N 0 0 303.324 3.223 20 10 DGCDRN CC[C@@H]([NH2+]Cc1ccc2nonc2c1)c1ccc(F)cc1[O-] ZINC000903326850 619761698 /nfs/dbraw/zinc/76/16/98/619761698.db2.gz USFIVNIMNDTGCB-CYBMUJFWSA-N 0 0 301.321 3.308 20 10 DGCDRN Cc1nc(NC2CC2)sc1C(=O)N[C@H](C)c1ccccc1O ZINC000881440629 625375154 /nfs/dbraw/zinc/37/51/54/625375154.db2.gz IRUVOOPZDHGNKH-SECBINFHSA-N 0 0 317.414 3.222 20 10 DGCDRN N[C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000904462879 619922789 /nfs/dbraw/zinc/92/27/89/619922789.db2.gz ZLBHNWCBXBOJFZ-HUUCEWRRSA-N 0 0 323.223 3.413 20 10 DGCDRN COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(N)cc2)nc1 ZINC000904500773 619925687 /nfs/dbraw/zinc/92/56/87/619925687.db2.gz PZXQRADEKOKEEB-INIZCTEOSA-N 0 0 312.373 3.041 20 10 DGCDRN C[C@]1(c2nc(Cc3ccc(N)cc3)no2)CCOc2ccccc21 ZINC000904503765 619925906 /nfs/dbraw/zinc/92/59/06/619925906.db2.gz JWWGSNFLAMWKIC-IBGZPJMESA-N 0 0 321.380 3.331 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C(C)(C)Nc2ccccc2)cc1 ZINC000905316776 619986572 /nfs/dbraw/zinc/98/65/72/619986572.db2.gz DJEVLEZYADZRJL-UHFFFAOYSA-N 0 0 311.429 3.260 20 10 DGCDRN COc1ccc(-n2c(C)cc(-c3nc(C4(N)CC4)no3)c2C)cc1 ZINC000905318927 619987001 /nfs/dbraw/zinc/98/70/01/619987001.db2.gz HDKAMUCLUTWUEJ-UHFFFAOYSA-N 0 0 324.384 3.101 20 10 DGCDRN CCCOc1ccccc1NC[C@@H](O)C[C@@H](O)c1ccccc1 ZINC000905301341 619988176 /nfs/dbraw/zinc/98/81/76/619988176.db2.gz PDWILGDLWJAKEB-FUHWJXTLSA-N 0 0 315.413 3.372 20 10 DGCDRN COC(C)(C)c1nsc(NCc2cc(F)cc(F)c2O)n1 ZINC000905418561 619996240 /nfs/dbraw/zinc/99/62/40/619996240.db2.gz HPXQWGDLFSDOPQ-UHFFFAOYSA-N 0 0 315.345 3.016 20 10 DGCDRN O=C1N=C(N2CCOCC2)S/C1=C\c1ccc2ccccc2c1 ZINC000026763660 620002572 /nfs/dbraw/zinc/00/25/72/620002572.db2.gz FYTFKIGPHHARGD-VBKFSLOCSA-N 0 0 324.405 3.142 20 10 DGCDRN CCNC(=O)c1cccc(NCc2c(O)cccc2Cl)c1 ZINC000149158753 620099666 /nfs/dbraw/zinc/09/96/66/620099666.db2.gz NNTCVYDCPIIDPU-UHFFFAOYSA-N 0 0 304.777 3.407 20 10 DGCDRN C[C@H]1CCc2c(C(=O)NCc3ccc(O)cc3O)csc2C1 ZINC000910952038 620318501 /nfs/dbraw/zinc/31/85/01/620318501.db2.gz PZWODGXUWLTZTG-JTQLQIEISA-N 0 0 317.410 3.214 20 10 DGCDRN CC(C)(C)c1ccc(CC(=O)NCc2ccc(O)cc2O)cc1 ZINC000910951872 620318525 /nfs/dbraw/zinc/31/85/25/620318525.db2.gz WUWNNKMAJAVFFQ-UHFFFAOYSA-N 0 0 313.397 3.254 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000910950151 620318643 /nfs/dbraw/zinc/31/86/43/620318643.db2.gz DETHFAQFAAKJDJ-YLJYHZDGSA-N 0 0 323.392 3.008 20 10 DGCDRN C[C@@H](CCc1ccccc1F)C(=O)NCc1ccc(O)cc1O ZINC000910950509 620318658 /nfs/dbraw/zinc/31/86/58/620318658.db2.gz GLLHWUONXIZXIN-LBPRGKRZSA-N 0 0 317.360 3.122 20 10 DGCDRN Cc1ccc(CCCC(=O)NCc2ccc(O)cc2O)s1 ZINC000910950547 620318670 /nfs/dbraw/zinc/31/86/70/620318670.db2.gz HJUHURACZFTUDY-UHFFFAOYSA-N 0 0 305.399 3.107 20 10 DGCDRN CC(C)COc1ccc(C(=O)NCc2ccc(O)cc2O)cc1 ZINC000910957861 620318964 /nfs/dbraw/zinc/31/89/64/620318964.db2.gz OEURZUBJWFHOTO-UHFFFAOYSA-N 0 0 315.369 3.063 20 10 DGCDRN C/C(=C(\F)C(=O)NCc1ccc2cccnc2c1O)C1CC1 ZINC000911262639 620330221 /nfs/dbraw/zinc/33/02/21/620330221.db2.gz RWMZQOZZVUHQEM-GXDHUFHOSA-N 0 0 300.333 3.210 20 10 DGCDRN Cc1cc(C)c(C(=O)NCc2cc(Cl)ccc2O)c(C)n1 ZINC000911899272 620349968 /nfs/dbraw/zinc/34/99/68/620349968.db2.gz UUVVYCZYDVNOEL-UHFFFAOYSA-N 0 0 304.777 3.296 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1CCOC2(CCCC2)C1 ZINC000911899294 620349992 /nfs/dbraw/zinc/34/99/92/620349992.db2.gz VOQMTPBTHJIKFC-LBPRGKRZSA-N 0 0 323.820 3.401 20 10 DGCDRN O=C(NC1(C2CCC2)CC1)c1cc2cc(O)c(O)cc2s1 ZINC000911896822 620351799 /nfs/dbraw/zinc/35/17/99/620351799.db2.gz IETZEIQTXODDQS-UHFFFAOYSA-N 0 0 303.383 3.375 20 10 DGCDRN Cc1cc(CNC(=O)CC2COC2)c(C)n1-c1cccc(C)c1 ZINC000913167382 620426086 /nfs/dbraw/zinc/42/60/86/620426086.db2.gz SJNOUAWNIVECBN-UHFFFAOYSA-N 0 0 312.413 3.055 20 10 DGCDRN C[C@H](NC(=O)NCCCSc1nccs1)c1cccnc1 ZINC000151751702 620472821 /nfs/dbraw/zinc/47/28/21/620472821.db2.gz YMLPCXBTRUZKKM-NSHDSACASA-N 0 0 322.459 3.081 20 10 DGCDRN COc1ccc(N(CCOC[C@H]2CCCO2)C(C)C)cc1F ZINC000152231294 620498509 /nfs/dbraw/zinc/49/85/09/620498509.db2.gz WTTHGOLGQCAATQ-OAHLLOKOSA-N 0 0 311.397 3.245 20 10 DGCDRN C[C@H](CC(=O)NCCc1ccc(N)cc1)c1cccc(F)c1 ZINC000152518811 620511238 /nfs/dbraw/zinc/51/12/38/620511238.db2.gz HOSZNTFPFASDGK-CYBMUJFWSA-N 0 0 300.377 3.260 20 10 DGCDRN C[C@@H]1C[C@H]1c1ccc(CNC(=O)NCc2c(O)cccc2F)o1 ZINC000914245995 620515027 /nfs/dbraw/zinc/51/50/27/620515027.db2.gz RKZIVNDCDYSTPZ-ZYHUDNBSSA-N 0 0 318.348 3.247 20 10 DGCDRN C[C@@H](Cc1ccsc1)NC(=O)NCc1c(O)cccc1F ZINC000914313099 620519618 /nfs/dbraw/zinc/51/96/18/620519618.db2.gz PFRJQCVGJSHLMZ-JTQLQIEISA-N 0 0 308.378 3.023 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000914433245 620534006 /nfs/dbraw/zinc/53/40/06/620534006.db2.gz MKPJQNZZJUSCJD-YPMHNXCESA-N 0 0 302.201 3.214 20 10 DGCDRN CCN(CCOC)C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000914500941 620539363 /nfs/dbraw/zinc/53/93/63/620539363.db2.gz CEEUDYQFBHRDRK-UHFFFAOYSA-N 0 0 300.402 3.203 20 10 DGCDRN O=C(NCCCSc1nccs1)NOCc1ccccc1 ZINC000153240422 620543221 /nfs/dbraw/zinc/54/32/21/620543221.db2.gz BECSEDOASVQWSO-UHFFFAOYSA-N 0 0 323.443 3.056 20 10 DGCDRN CCOc1ccc(O)c([C@H]2NC(=O)c3ccc(Cl)cc3N2)c1 ZINC000914794934 620555592 /nfs/dbraw/zinc/55/55/92/620555592.db2.gz FSYWMCLTRMKCSF-OAHLLOKOSA-N 0 0 318.760 3.298 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@]2(C)CCCS2)c1 ZINC000153409425 620561233 /nfs/dbraw/zinc/56/12/33/620561233.db2.gz MOHKOBCJPWIGSJ-BZNIZROVSA-N 0 0 324.446 3.047 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1cnn(C2CCCC2)c1 ZINC000915524477 620588687 /nfs/dbraw/zinc/58/86/87/620588687.db2.gz FJLCKLBLKJKJAX-UHFFFAOYSA-N 0 0 300.362 3.026 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CCc2cccnc2)cc1 ZINC000916503012 620632689 /nfs/dbraw/zinc/63/26/89/620632689.db2.gz ZIMZDKITDBBIED-UHFFFAOYSA-N 0 0 311.429 3.177 20 10 DGCDRN O=C(NCc1ccccc1O)NC1CCC2(CC2(F)F)CC1 ZINC000852607260 620634079 /nfs/dbraw/zinc/63/40/79/620634079.db2.gz DDYKXAWJZMULFG-UHFFFAOYSA-N 0 0 310.344 3.159 20 10 DGCDRN CC/C=C(\C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000920881319 620826590 /nfs/dbraw/zinc/82/65/90/620826590.db2.gz SZBKSBMBIHSHBO-ZXZGFYSFSA-N 0 0 302.418 3.057 20 10 DGCDRN C[C@H]1CCCC[C@@H]1OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000112856709 620858663 /nfs/dbraw/zinc/85/86/63/620858663.db2.gz VTFZSQHCSJCSCQ-YJBOKZPZSA-N 0 0 318.461 3.306 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CCC3(C)C)C2)cc1 ZINC000854980746 620859425 /nfs/dbraw/zinc/85/94/25/620859425.db2.gz GLUCSWDBFSUIRS-PBHICJAKSA-N 0 0 316.445 3.074 20 10 DGCDRN Cc1cc(C(=O)N(C)Cc2c[nH]cn2)c(C)n1-c1cccc(C)c1 ZINC000855135467 620872932 /nfs/dbraw/zinc/87/29/32/620872932.db2.gz MSNOIBMZMXHXPX-UHFFFAOYSA-N 0 0 322.412 3.398 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)C[C@H]3CCC[C@@H]3C)C2)cc1 ZINC000855223669 620881617 /nfs/dbraw/zinc/88/16/17/620881617.db2.gz CETABBIFVBFHIE-XHSDSOJGSA-N 0 0 316.445 3.216 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)/C=C\C3CCCC3)C2)cc1 ZINC000855226762 620881658 /nfs/dbraw/zinc/88/16/58/620881658.db2.gz UBHBACCCMREKQM-BDJZEXMMSA-N 0 0 314.429 3.137 20 10 DGCDRN CC[C@@H](C)CCC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855223261 620881850 /nfs/dbraw/zinc/88/18/50/620881850.db2.gz FBFUQCMCLLAIAX-CABCVRRESA-N 0 0 304.434 3.216 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3CC(C)C)C2)cc1 ZINC000855224783 620881998 /nfs/dbraw/zinc/88/19/98/620881998.db2.gz HCMIIVZBCHKWJY-IIDMSEBBSA-N 0 0 316.445 3.072 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)C=C3CCCCC3)C2)cc1 ZINC000855231989 620882328 /nfs/dbraw/zinc/88/23/28/620882328.db2.gz ZNJPKOJFFAPCMC-MRXNPFEDSA-N 0 0 314.429 3.281 20 10 DGCDRN C/C=C(/C=C\C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)CC ZINC000855233845 620883019 /nfs/dbraw/zinc/88/30/19/620883019.db2.gz NYLYEJYFNDCIGC-ZOOOQLCUSA-N 0 0 314.429 3.303 20 10 DGCDRN CCC[C@H](C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C(C)C ZINC000855234014 620883042 /nfs/dbraw/zinc/88/30/42/620883042.db2.gz QOFJGKWTJOOYQX-QAPCUYQASA-N 0 0 318.461 3.462 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)C1(CO)CC1 ZINC000855480200 620906765 /nfs/dbraw/zinc/90/67/65/620906765.db2.gz ZAZKJUATBDLGRN-CYBMUJFWSA-N 0 0 318.442 3.046 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)Cc2nnc(C)o2)cc1 ZINC000855567868 620914220 /nfs/dbraw/zinc/91/42/20/620914220.db2.gz BZXGQKWVYLSWQM-UHFFFAOYSA-N 0 0 324.384 3.058 20 10 DGCDRN CCc1[nH]nc(Cl)c1CNCc1ccc(N(C)C)c(F)c1 ZINC000921623464 620917360 /nfs/dbraw/zinc/91/73/60/620917360.db2.gz LLWZQZVBPCSYLH-UHFFFAOYSA-N 0 0 310.804 3.120 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C=C\c1cccnc1C)CCC2 ZINC000856078473 620958465 /nfs/dbraw/zinc/95/84/65/620958465.db2.gz RFHYZDQJRPIHCE-NTMALXAHSA-N 0 0 308.381 3.391 20 10 DGCDRN CCC[C@@H](C)CC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856210833 620972524 /nfs/dbraw/zinc/97/25/24/620972524.db2.gz SBGGPUFTLUFGGW-OAHLLOKOSA-N 0 0 318.461 3.090 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)c2nccn2C)cc1 ZINC000856275855 620979569 /nfs/dbraw/zinc/97/95/69/620979569.db2.gz IYDKPRSPFWUGLH-HNNXBMFYSA-N 0 0 322.412 3.319 20 10 DGCDRN CC(C)[C@@H](CC(F)(F)F)NC(=O)NCc1c(O)cccc1F ZINC000922124784 620991565 /nfs/dbraw/zinc/99/15/65/620991565.db2.gz GHZAQPYNPCIZPU-LLVKDONJSA-N 0 0 322.302 3.308 20 10 DGCDRN c1cc2c(cc1CNCc1nnc(C3CC3)s1)CCCO2 ZINC000922183527 621001862 /nfs/dbraw/zinc/00/18/62/621001862.db2.gz FIGULWLUOTXIMU-UHFFFAOYSA-N 0 0 301.415 3.030 20 10 DGCDRN COc1ccc(O)c(CNC(=O)CCn2ccc3ccccc32)c1 ZINC000114543702 621009116 /nfs/dbraw/zinc/00/91/16/621009116.db2.gz HDMNYIQVPARJJP-UHFFFAOYSA-N 0 0 324.380 3.062 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2ccc(Cl)cc2F)c1 ZINC000114543682 621009220 /nfs/dbraw/zinc/00/92/20/621009220.db2.gz VRGFYBJKKNNBOV-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2ccc(SC)cc2)c1 ZINC000114544193 621009790 /nfs/dbraw/zinc/00/97/90/621009790.db2.gz OXNSRZDLRHXNDK-UHFFFAOYSA-N 0 0 303.383 3.053 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2oc3ccccc3c2C)c1 ZINC000114544323 621009838 /nfs/dbraw/zinc/00/98/38/621009838.db2.gz OIJMSUDIZVSNRL-UHFFFAOYSA-N 0 0 311.337 3.385 20 10 DGCDRN CN(C)c1ccc(CN(c2nccc3nccnc32)C2CC2)cc1 ZINC000856724728 621011531 /nfs/dbraw/zinc/01/15/31/621011531.db2.gz URUVRYRDMIUKNB-UHFFFAOYSA-N 0 0 319.412 3.260 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1 ZINC000114582341 621016346 /nfs/dbraw/zinc/01/63/46/621016346.db2.gz MMVRQVOTTVNWJA-LALPHHSUSA-N 0 0 306.406 3.025 20 10 DGCDRN O=C1CCN1CN1CCCc2cc(OCc3ccccc3)ccc21 ZINC000857233927 621072617 /nfs/dbraw/zinc/07/26/17/621072617.db2.gz KYDZCQYJIYSWNA-UHFFFAOYSA-N 0 0 322.408 3.208 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cnccc1C(F)(F)F ZINC000857467041 621089680 /nfs/dbraw/zinc/08/96/80/621089680.db2.gz PKKJUMHXWBAMFD-UHFFFAOYSA-N 0 0 310.275 3.078 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cccnc1Cl ZINC000115279691 621092963 /nfs/dbraw/zinc/09/29/63/621092963.db2.gz WOAKVLTVMCFFSC-UHFFFAOYSA-N 0 0 303.793 3.039 20 10 DGCDRN COCc1ccccc1C(=O)NCc1cc(Cl)ccc1O ZINC000857547421 621094855 /nfs/dbraw/zinc/09/48/55/621094855.db2.gz COZQWZHSWVKLGE-UHFFFAOYSA-N 0 0 305.761 3.122 20 10 DGCDRN Cc1cc2c[nH]nc2c(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC000857547465 621095037 /nfs/dbraw/zinc/09/50/37/621095037.db2.gz FSRTXGPHYOCAHE-UHFFFAOYSA-N 0 0 315.760 3.160 20 10 DGCDRN COc1ccc(F)cc1CC(=O)NCc1cc(Cl)ccc1O ZINC000857548401 621095239 /nfs/dbraw/zinc/09/52/39/621095239.db2.gz LSUMDQNJLUQTMM-UHFFFAOYSA-N 0 0 323.751 3.052 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cnc1F ZINC000857610338 621103724 /nfs/dbraw/zinc/10/37/24/621103724.db2.gz LWWHZFMEJUIFMK-GFCCVEGCSA-N 0 0 301.365 3.086 20 10 DGCDRN CN(C)c1cc(F)c(CNc2ccn(CC(F)F)n2)cc1F ZINC000858150517 621159172 /nfs/dbraw/zinc/15/91/72/621159172.db2.gz YROSDGXRRHNRGJ-UHFFFAOYSA-N 0 0 316.302 3.105 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCCO[C@H]2CCCC[C@@H]2C)c1 ZINC000858153247 621159255 /nfs/dbraw/zinc/15/92/55/621159255.db2.gz JRUNLSSIPHLQGL-YOEHRIQHSA-N 0 0 320.433 3.095 20 10 DGCDRN CN(C)c1cc(F)c(CNCc2nnc(C3CC3)s2)cc1F ZINC000858179830 621162231 /nfs/dbraw/zinc/16/22/31/621162231.db2.gz VBULXAIWDDZNMZ-UHFFFAOYSA-N 0 0 324.400 3.050 20 10 DGCDRN CN(C)c1cc(F)c(CN[C@H]2C[C@H](O)c3ccccc32)cc1F ZINC000858190007 621163357 /nfs/dbraw/zinc/16/33/57/621163357.db2.gz XWWXVPBSJRNJDQ-WMZOPIPTSA-N 0 0 318.367 3.299 20 10 DGCDRN CCC[C@H](NC(=O)NCc1cc(C)ccc1O)c1ccccn1 ZINC000858190467 621163405 /nfs/dbraw/zinc/16/34/05/621163405.db2.gz DRQAHVXASFNTLQ-INIZCTEOSA-N 0 0 313.401 3.436 20 10 DGCDRN COc1cc(NCc2cc(OC)cc(C(C)(C)C)c2O)[nH]n1 ZINC000858231384 621166765 /nfs/dbraw/zinc/16/67/65/621166765.db2.gz QNFUIKBMLSKJKK-UHFFFAOYSA-N 0 0 305.378 3.042 20 10 DGCDRN FCCn1cc(NCc2ccc(N3CCCCC3)cc2)cn1 ZINC000858245414 621167941 /nfs/dbraw/zinc/16/79/41/621167941.db2.gz GUYYWYMXWPXSGB-UHFFFAOYSA-N 0 0 302.397 3.455 20 10 DGCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1nc(Cl)cs1 ZINC000858327491 621176150 /nfs/dbraw/zinc/17/61/50/621176150.db2.gz RZNOSWHDUAEIHU-UHFFFAOYSA-N 0 0 323.849 3.270 20 10 DGCDRN CCc1cnccc1[C@H](C)NC(=O)NCc1cc(C)ccc1O ZINC000858344487 621178922 /nfs/dbraw/zinc/17/89/22/621178922.db2.gz OXKDDIRKTSWBPZ-ZDUSSCGKSA-N 0 0 313.401 3.218 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCO[C@H](CC(C)C)C2)c1 ZINC000858349697 621179193 /nfs/dbraw/zinc/17/91/93/621179193.db2.gz NJAPWAYAPRJBRK-HZPDHXFCSA-N 0 0 320.433 3.094 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2CCO[C@@H](CC(C)C)C2)c1 ZINC000858349696 621179377 /nfs/dbraw/zinc/17/93/77/621179377.db2.gz NJAPWAYAPRJBRK-HOTGVXAUSA-N 0 0 320.433 3.094 20 10 DGCDRN CN(C[C@H](O)Cc1ccccc1C(F)(F)F)c1ccc(N)cc1 ZINC000923401863 621181904 /nfs/dbraw/zinc/18/19/04/621181904.db2.gz YPNCDKITALUVPN-OAHLLOKOSA-N 0 0 324.346 3.327 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000858449462 621192382 /nfs/dbraw/zinc/19/23/82/621192382.db2.gz MAJBGEIVWIKEMN-TVQRCGJNSA-N 0 0 317.286 3.182 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1ccc(Cl)cc1[O-] ZINC000858480388 621196553 /nfs/dbraw/zinc/19/65/53/621196553.db2.gz SPHDAAJQPBNKGL-CMPLNLGQSA-N 0 0 318.795 3.426 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@@H]2C[C@H]2C)cc1 ZINC000858486607 621197167 /nfs/dbraw/zinc/19/71/67/621197167.db2.gz WWJMYQULQUUKCS-DYVFJYSZSA-N 0 0 324.424 3.221 20 10 DGCDRN CC[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000858494818 621197557 /nfs/dbraw/zinc/19/75/57/621197557.db2.gz OGECOPJYRJZFKC-DXBFQKDVSA-N 0 0 317.216 3.004 20 10 DGCDRN CO[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])C1 ZINC000858584291 621207189 /nfs/dbraw/zinc/20/71/89/621207189.db2.gz PIRFYVHPSTWNBJ-HGNGGELXSA-N 0 0 318.186 3.122 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)c1 ZINC000858608361 621209357 /nfs/dbraw/zinc/20/93/57/621209357.db2.gz RFTIWBCHUIVVBE-SUMWQHHRSA-N 0 0 310.397 3.228 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)cc1 ZINC000858658559 621212619 /nfs/dbraw/zinc/21/26/19/621212619.db2.gz PGGKQWMMLLUGCY-IXDOHACOSA-N 0 0 315.461 3.330 20 10 DGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cnn(C2CC2)c1 ZINC000858835955 621223935 /nfs/dbraw/zinc/22/39/35/621223935.db2.gz ONCMQTYFONKDQR-UHFFFAOYSA-N 0 0 324.428 3.138 20 10 DGCDRN Cc1ccc(C(=O)N(C)[C@H](C)Cc2cccc(F)c2)c(O)c1O ZINC000838219144 621225840 /nfs/dbraw/zinc/22/58/40/621225840.db2.gz VFZPRSSFXKLUKM-GFCCVEGCSA-N 0 0 317.360 3.249 20 10 DGCDRN C[C@H]1CN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)[C@H]1C ZINC000838375182 621239406 /nfs/dbraw/zinc/23/94/06/621239406.db2.gz DBEQUIONOBDHIP-HOTGVXAUSA-N 0 0 315.461 3.473 20 10 DGCDRN CCN(Cc1cc(CO)ccc1F)c1ccc(OC)c(OC)c1 ZINC000859176597 621257685 /nfs/dbraw/zinc/25/76/85/621257685.db2.gz XYBVUXQLUYSCQE-UHFFFAOYSA-N 0 0 319.376 3.362 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@@H](C)CCC=C(C)C)c1 ZINC000838474260 621257875 /nfs/dbraw/zinc/25/78/75/621257875.db2.gz HYVQMWOVAJYVKH-ZDUSSCGKSA-N 0 0 306.406 3.335 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@](C)(F)C1 ZINC000838478928 621258772 /nfs/dbraw/zinc/25/87/72/621258772.db2.gz NVAYDAIOIIZQEZ-QGZVFWFLSA-N 0 0 307.413 3.095 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)CC(F)F)c1 ZINC000859191743 621258807 /nfs/dbraw/zinc/25/88/07/621258807.db2.gz CUKSUEWCQSHGAE-UHFFFAOYSA-N 0 0 320.339 3.244 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1COCC1(C)C ZINC000838702129 621272219 /nfs/dbraw/zinc/27/22/19/621272219.db2.gz RYNNEKAMYUHZST-INIZCTEOSA-N 0 0 320.433 3.129 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2C[C@H]2CC(C)C)c1 ZINC000838754097 621275282 /nfs/dbraw/zinc/27/52/82/621275282.db2.gz FGYCPMMJHMIVOB-LALPHHSUSA-N 0 0 306.406 3.196 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NC1CCC(C(F)F)CC1 ZINC000838762988 621275694 /nfs/dbraw/zinc/27/56/94/621275694.db2.gz FNHPUHGSTFKJON-UHFFFAOYSA-N 0 0 312.360 3.358 20 10 DGCDRN CC(C)[C@@]1(C)C[C@@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000838767095 621276329 /nfs/dbraw/zinc/27/63/29/621276329.db2.gz WIJBOUGZTHBDQO-FUHWJXTLSA-N 0 0 303.450 3.329 20 10 DGCDRN Cc1ccc(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])nc1C ZINC000839163654 621349324 /nfs/dbraw/zinc/34/93/24/621349324.db2.gz JFYUMKTZRHXBBG-UHFFFAOYSA-N 0 0 321.764 3.255 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)[C@]2(C)CCCCO2)C2CC2)cc1 ZINC000839238507 621354048 /nfs/dbraw/zinc/35/40/48/621354048.db2.gz IXWIOPAKBVRQCG-IBGZPJMESA-N 0 0 316.445 3.203 20 10 DGCDRN C/C(=C/C(=O)NCc1ccccc1O)c1ccc([N+](=O)[O-])cc1 ZINC000752596417 621401536 /nfs/dbraw/zinc/40/15/36/621401536.db2.gz MLNPVPPNHILMHY-BENRWUELSA-N 0 0 312.325 3.020 20 10 DGCDRN C1=CCN(c2ccc(CNc3ncnc4ccncc43)cc2)C1 ZINC000752634283 621402909 /nfs/dbraw/zinc/40/29/09/621402909.db2.gz FIGJMVOKVLDGCT-UHFFFAOYSA-N 0 0 303.369 3.013 20 10 DGCDRN CS[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)C(C)(C)C ZINC000752879353 621414042 /nfs/dbraw/zinc/41/40/42/621414042.db2.gz XRJNPDHHMUWICK-QPBFKRLHSA-N 0 0 309.431 3.005 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000753557525 621448281 /nfs/dbraw/zinc/44/82/81/621448281.db2.gz OQUBLEGSWQNDLC-HZPDHXFCSA-N 0 0 320.433 3.127 20 10 DGCDRN COc1ccc(N2CCN(C(=O)/C=C3/CC[C@H](C)C3)CC2)cc1 ZINC000753561960 621448836 /nfs/dbraw/zinc/44/88/36/621448836.db2.gz FUXFWIIOTNXETP-RIBQPWQFSA-N 0 0 314.429 3.090 20 10 DGCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000753592360 621452154 /nfs/dbraw/zinc/45/21/54/621452154.db2.gz SELVYLFTDJPXBK-OAHLLOKOSA-N 0 0 305.324 3.324 20 10 DGCDRN C[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1ccsc1 ZINC000753639782 621457214 /nfs/dbraw/zinc/45/72/14/621457214.db2.gz CQNWHCLAKAHEFV-WDEREUQCSA-N 0 0 305.399 3.010 20 10 DGCDRN CN(C)c1ccc(CN(C)Cn2cnc(-c3ccccc3)n2)cc1 ZINC000117861771 621461557 /nfs/dbraw/zinc/46/15/57/621461557.db2.gz BXCNEKXBUKAPBF-UHFFFAOYSA-N 0 0 321.428 3.101 20 10 DGCDRN C[C@H]1CSc2ccccc2N(C(=O)/C=C\c2cnn(C)c2)C1 ZINC000754370578 621506271 /nfs/dbraw/zinc/50/62/71/621506271.db2.gz DGMXOTJMVMVHRO-MEJMFZKBSA-N 0 0 313.426 3.208 20 10 DGCDRN Cn1cc(/C=C\C(=O)N2CCCCc3c(Cl)cccc32)cn1 ZINC000754584063 621518912 /nfs/dbraw/zinc/51/89/12/621518912.db2.gz OUMUFKLDEVHXHU-HJWRWDBZSA-N 0 0 315.804 3.456 20 10 DGCDRN Cc1ccc(NC(=S)NCc2cccc(N(C)C)n2)cc1F ZINC000754693689 621524800 /nfs/dbraw/zinc/52/48/00/621524800.db2.gz VOQMNMGJPBRALK-UHFFFAOYSA-N 0 0 318.421 3.082 20 10 DGCDRN CCc1ccc(NC(=S)NCc2cccc(N(C)C)n2)cc1 ZINC000754692173 621524962 /nfs/dbraw/zinc/52/49/62/621524962.db2.gz NCHMOULWBPWSCH-UHFFFAOYSA-N 0 0 314.458 3.197 20 10 DGCDRN CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000861640036 621530740 /nfs/dbraw/zinc/53/07/40/621530740.db2.gz IEEIIGDIUWYGQI-ROUUACIJSA-N 0 0 323.440 3.303 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H](C)C2CC2)cc1 ZINC000861879442 621542243 /nfs/dbraw/zinc/54/22/43/621542243.db2.gz PUZROZQZZDZZEN-CQSZACIVSA-N 0 0 324.424 3.364 20 10 DGCDRN CCCCS[C@@H](C)C(=O)NCc1ccc2cccnc2c1O ZINC000862027843 621551194 /nfs/dbraw/zinc/55/11/94/621551194.db2.gz HRBVCBPCCIJYAJ-LBPRGKRZSA-N 0 0 318.442 3.478 20 10 DGCDRN CSCC1(CC(=O)NCc2ccc3cccnc3c2O)CC1 ZINC000862025231 621551280 /nfs/dbraw/zinc/55/12/80/621551280.db2.gz PJPIDEXFBHXMFF-UHFFFAOYSA-N 0 0 316.426 3.090 20 10 DGCDRN Cc1cc(C(=O)NCC[C@H](C)O)c(C)n1-c1ccc(Cl)cc1 ZINC000118718002 621552089 /nfs/dbraw/zinc/55/20/89/621552089.db2.gz OQYVSRLXBVKWIK-LBPRGKRZSA-N 0 0 320.820 3.248 20 10 DGCDRN CCOc1ccc(N(C)Cc2cn(C)nc2Br)cc1 ZINC000862306197 621573932 /nfs/dbraw/zinc/57/39/32/621573932.db2.gz GDWYOXDJWRELCZ-UHFFFAOYSA-N 0 0 324.222 3.218 20 10 DGCDRN Oc1cccc(Br)c1CN1CCC[C@H]1c1ncc[nH]1 ZINC000862327073 621574298 /nfs/dbraw/zinc/57/42/98/621574298.db2.gz XRJSMQLPLSJEOA-LBPRGKRZSA-N 0 0 322.206 3.215 20 10 DGCDRN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1O ZINC000755516943 621577191 /nfs/dbraw/zinc/57/71/91/621577191.db2.gz WCAWLKQKOFXFBM-ZRDIBKRKSA-N 0 0 312.325 3.020 20 10 DGCDRN CCOc1cc(COC(=O)C2=CC(=O)CS2)ccc1[N+](=O)[O-] ZINC000755554416 621578550 /nfs/dbraw/zinc/57/85/50/621578550.db2.gz MTVFLLUQCVDZJV-UHFFFAOYSA-N 0 0 323.326 3.118 20 10 DGCDRN Cc1noc([C@@H]2CCCN2Cc2cc(F)c(N(C)C)cc2F)n1 ZINC000862366148 621579178 /nfs/dbraw/zinc/57/91/78/621579178.db2.gz LZTQZPQFCYQNLX-AWEZNQCLSA-N 0 0 322.359 3.059 20 10 DGCDRN CCOC(=O)CN(Cc1ccccc1O)C[C@@]1(C)CCCS1 ZINC000862397954 621584642 /nfs/dbraw/zinc/58/46/42/621584642.db2.gz RLTOYKOFQZGSCA-QGZVFWFLSA-N 0 0 323.458 3.043 20 10 DGCDRN CC(C)Cc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000755701912 621586804 /nfs/dbraw/zinc/58/68/04/621586804.db2.gz YYADFYHCRXJBBA-QGOAFFKASA-N 0 0 320.392 3.347 20 10 DGCDRN FCC[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000862529378 621596895 /nfs/dbraw/zinc/59/68/95/621596895.db2.gz CQJYQUPXBADMHD-GOSISDBHSA-N 0 0 306.425 3.237 20 10 DGCDRN CCC1(CC)CCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000755866270 621598381 /nfs/dbraw/zinc/59/83/81/621598381.db2.gz FLABGTSLQDODEM-UHFFFAOYSA-N 0 0 303.450 3.474 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](c1ccccn1)C1CCC1 ZINC000862744830 621612719 /nfs/dbraw/zinc/61/27/19/621612719.db2.gz IBYGHYFBCYBXNO-QIBOZCLASA-N 0 0 324.380 3.164 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cccc3c2OC(C)(C)C3)c1 ZINC000862753769 621613313 /nfs/dbraw/zinc/61/33/13/621613313.db2.gz GXHQRLXDVPZWJP-UHFFFAOYSA-N 0 0 311.381 3.344 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CC[C@@H](C(F)(F)F)C2)c1 ZINC000862756347 621613651 /nfs/dbraw/zinc/61/36/51/621613651.db2.gz WAWFFIXCUVPSOW-ZYHUDNBSSA-N 0 0 301.308 3.295 20 10 DGCDRN CC[C@@H](C)n1ncc(C(=O)NCc2cc(C)ccc2O)c1C ZINC000862757029 621613856 /nfs/dbraw/zinc/61/38/56/621613856.db2.gz DYNCRZYXXDQHSH-GFCCVEGCSA-N 0 0 301.390 3.107 20 10 DGCDRN CC[C@H](C(=O)NCc1cc(C)ccc1O)c1c(C)noc1C ZINC000862758534 621614262 /nfs/dbraw/zinc/61/42/62/621614262.db2.gz CAMMNUDNOXELMV-AWEZNQCLSA-N 0 0 302.374 3.115 20 10 DGCDRN Cc1ccsc1[C@H]1C[C@H]1C(=O)NCc1cc(C)ccc1O ZINC000862757902 621614371 /nfs/dbraw/zinc/61/43/71/621614371.db2.gz HYYBTKMAPULPMO-UONOGXRCSA-N 0 0 301.411 3.490 20 10 DGCDRN CC1=NN(c2ccc(C(=O)NCc3cc(C)ccc3O)cc2)CC1 ZINC000862760427 621614744 /nfs/dbraw/zinc/61/47/44/621614744.db2.gz SPQRYMBFOPBSBE-UHFFFAOYSA-N 0 0 323.396 3.217 20 10 DGCDRN CC[C@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756338996 621627239 /nfs/dbraw/zinc/62/72/39/621627239.db2.gz BCPVKAVVTDUPLE-IONNQARKSA-N 0 0 322.630 3.230 20 10 DGCDRN CC(C)(C)[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000756338491 621628834 /nfs/dbraw/zinc/62/88/34/621628834.db2.gz LSCPETRNBRWUKZ-MRXNPFEDSA-N 0 0 304.434 3.266 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1cc(F)cc(F)c1[O-] ZINC000756378875 621632910 /nfs/dbraw/zinc/63/29/10/621632910.db2.gz JFSOPXCLUUXPPL-MFKMUULPSA-N 0 0 305.324 3.325 20 10 DGCDRN CC(C)[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])N1CCCC1 ZINC000756397930 621635250 /nfs/dbraw/zinc/63/52/50/621635250.db2.gz ANYLJJXAMUZNDC-XJKSGUPXSA-N 0 0 321.421 3.071 20 10 DGCDRN O=C(N[C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12)C1=CC(=O)CS1 ZINC000863049532 621635351 /nfs/dbraw/zinc/63/53/51/621635351.db2.gz JGDPDGINUSIAGY-ZLKJLUDKSA-N 0 0 305.786 3.175 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1COc2ccccc2C1)c1ccc(F)cc1[O-] ZINC000756458188 621639569 /nfs/dbraw/zinc/63/95/69/621639569.db2.gz UGCVLBJGTCJWAK-OLZOCXBDSA-N 0 0 301.361 3.433 20 10 DGCDRN Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756461540 621640065 /nfs/dbraw/zinc/64/00/65/621640065.db2.gz UIBILNSCGGZCJT-ZBEGNZNMSA-N 0 0 307.340 3.363 20 10 DGCDRN C[C@H]([NH2+][C@H]1COc2ccccc2C1)c1cc(F)cc(F)c1[O-] ZINC000756494843 621641946 /nfs/dbraw/zinc/64/19/46/621641946.db2.gz OLZTTZMUSCQSBH-GXFFZTMASA-N 0 0 305.324 3.325 20 10 DGCDRN Cc1cc(CNC(=O)[C@H]2CO[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC000863164324 621644068 /nfs/dbraw/zinc/64/40/68/621644068.db2.gz GEOVHANJSJQWGW-WMLDXEAASA-N 0 0 312.413 3.135 20 10 DGCDRN Cc1cc(CNC(=O)C[C@@H]2CCCO2)c(C)n1-c1ccccc1 ZINC000863166017 621644560 /nfs/dbraw/zinc/64/45/60/621644560.db2.gz IVWPCCCFPKCHOG-SFHVURJKSA-N 0 0 312.413 3.279 20 10 DGCDRN Cc1cc(CNC(=O)[C@H]2CCCCO2)c(C)n1-c1ccccc1 ZINC000863165692 621644583 /nfs/dbraw/zinc/64/45/83/621644583.db2.gz LCGYTAHERSTJBE-GOSISDBHSA-N 0 0 312.413 3.279 20 10 DGCDRN C[C@@H]([NH2+]CC[C@H](C)O)c1cc(Br)cc(Cl)c1[O-] ZINC000756573919 621650310 /nfs/dbraw/zinc/65/03/10/621650310.db2.gz SZBKKUVMIWZDCE-JGVFFNPUSA-N 0 0 322.630 3.230 20 10 DGCDRN C[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)c1cc(F)cc(F)c1[O-] ZINC000756573007 621650332 /nfs/dbraw/zinc/65/03/32/621650332.db2.gz OPOARDOWTBOHME-LLVKDONJSA-N 0 0 319.351 3.499 20 10 DGCDRN Cc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756576279 621650520 /nfs/dbraw/zinc/65/05/20/621650520.db2.gz LXPPJZWTGVGGIF-BZNIZROVSA-N 0 0 307.340 3.363 20 10 DGCDRN Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756615983 621653220 /nfs/dbraw/zinc/65/32/20/621653220.db2.gz YABBQIFONDJEIR-VHSXEESVSA-N 0 0 323.387 3.303 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2C[C@@](C)(OC)C2(C)C)c1 ZINC000756625382 621653507 /nfs/dbraw/zinc/65/35/07/621653507.db2.gz KAAFRRRCVLKHEO-BKGUAONASA-N 0 0 321.417 3.033 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-])C1CCOCC1 ZINC000756628511 621654027 /nfs/dbraw/zinc/65/40/27/621654027.db2.gz NKSOGWOSFKRRDD-BLLLJJGKSA-N 0 0 321.417 3.035 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756636302 621654704 /nfs/dbraw/zinc/65/47/04/621654704.db2.gz WSCURNSFWAEQOQ-DGCLKSJQSA-N 0 0 307.340 3.097 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756636306 621654715 /nfs/dbraw/zinc/65/47/15/621654715.db2.gz WSCURNSFWAEQOQ-YPMHNXCESA-N 0 0 307.340 3.097 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NCc2nnc(C(C)C)s2)c1 ZINC000756639796 621654975 /nfs/dbraw/zinc/65/49/75/621654975.db2.gz FOPLTMUNLXNHRW-SNVBAGLBSA-N 0 0 307.419 3.227 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1CSCCS1)c1cc(F)cc(F)c1[O-] ZINC000756640157 621655094 /nfs/dbraw/zinc/65/50/94/621655094.db2.gz KEDTYSXKICRMOF-PSASIEDQSA-N 0 0 305.415 3.170 20 10 DGCDRN C[C@H]([NH2+]CCNc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756642353 621655288 /nfs/dbraw/zinc/65/52/88/621655288.db2.gz NBWRXOMJGAGEGS-LBPRGKRZSA-N 0 0 301.346 3.063 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cc([N+](=O)[O-])ccc1[O-] ZINC000756673282 621657863 /nfs/dbraw/zinc/65/78/63/621657863.db2.gz XVSUQYUHQNCMMQ-SNVBAGLBSA-N 0 0 317.301 3.059 20 10 DGCDRN C[C@@H]([NH2+][C@H](CO)c1cccc(F)c1)c1cc(F)cc(F)c1[O-] ZINC000756713035 621659940 /nfs/dbraw/zinc/65/99/40/621659940.db2.gz SNGYICKWAUVLAZ-RFAUZJTJSA-N 0 0 311.303 3.194 20 10 DGCDRN COCCOC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756731993 621661210 /nfs/dbraw/zinc/66/12/10/621661210.db2.gz FHTFSFZZPNDKRH-VHSXEESVSA-N 0 0 322.232 3.401 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCSC1)c1cc(Br)cc(F)c1[O-] ZINC000756730865 621661408 /nfs/dbraw/zinc/66/14/08/621661408.db2.gz CAVAHPSCJHHFHC-IONNQARKSA-N 0 0 320.227 3.450 20 10 DGCDRN O=C(c1ccccc1)c1ccc(O)c(C[NH+](C2CC2)C2CC2)c1[O-] ZINC000863304325 621661835 /nfs/dbraw/zinc/66/18/35/621661835.db2.gz XJMBQMRRKHLYAL-UHFFFAOYSA-N 0 0 323.392 3.456 20 10 DGCDRN CC(C)(C)OC(=O)C(=O)CSc1ncc(C(C)(C)C)s1 ZINC000863314087 621662410 /nfs/dbraw/zinc/66/24/10/621662410.db2.gz AKPJJVVCICMFDV-UHFFFAOYSA-N 0 0 315.460 3.444 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1ccc(F)cc1[O-] ZINC000756760155 621662931 /nfs/dbraw/zinc/66/29/31/621662931.db2.gz IMYWOHPIMSBRNC-WBMJQRKESA-N 0 0 320.408 3.116 20 10 DGCDRN COc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(C)c1 ZINC000756761884 621663015 /nfs/dbraw/zinc/66/30/15/621663015.db2.gz UZFJPSCMVNBQSP-LBPRGKRZSA-N 0 0 316.357 3.468 20 10 DGCDRN CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756768976 621663316 /nfs/dbraw/zinc/66/33/16/621663316.db2.gz CGQRPFFYBUEEQF-BMIGLBTASA-N 0 0 301.377 3.364 20 10 DGCDRN CC[C@@H]1CC[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)O1 ZINC000756923030 621673318 /nfs/dbraw/zinc/67/33/18/621673318.db2.gz BJZVCEDHPLZANT-QZTJIDSGSA-N 0 0 316.445 3.251 20 10 DGCDRN CC[C@H]1CCC[C@H]1NC(=O)NCc1ccc(N(C)C)cc1C ZINC000756984105 621677510 /nfs/dbraw/zinc/67/75/10/621677510.db2.gz CRLSMFBXLKCURB-WMLDXEAASA-N 0 0 303.450 3.439 20 10 DGCDRN Cc1ccc(Cl)cc1NC(=O)NCc1ccc(O)c(O)c1 ZINC000119504364 621679583 /nfs/dbraw/zinc/67/95/83/621679583.db2.gz RNYMNKWQXYEREE-UHFFFAOYSA-N 0 0 306.749 3.381 20 10 DGCDRN CCC(=O)c1cc(C(=O)N(C)Cc2ccccc2O)ccc1F ZINC000757059673 621683763 /nfs/dbraw/zinc/68/37/63/621683763.db2.gz UXVPFSLJWVQULJ-UHFFFAOYSA-N 0 0 315.344 3.396 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)C[C@H](C)c1cnn(C)c1 ZINC000839622786 621701394 /nfs/dbraw/zinc/70/13/94/621701394.db2.gz VATGMAQRWNKMDN-AWEZNQCLSA-N 0 0 315.417 3.058 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000839707137 621712958 /nfs/dbraw/zinc/71/29/58/621712958.db2.gz SUBUMQKTIIXNQU-JQWIXIFHSA-N 0 0 323.439 3.244 20 10 DGCDRN CN(C)c1ccc(CNc2ccc(C(N)=O)c(Cl)c2)cc1F ZINC000863996158 621725339 /nfs/dbraw/zinc/72/53/39/621725339.db2.gz RMAAYAWSTJAAQI-UHFFFAOYSA-N 0 0 321.783 3.256 20 10 DGCDRN Cc1ccc(O)c([C@H](C)Nc2cccc([C@@H]3CNC(=O)C3)c2)c1 ZINC000757619540 621728940 /nfs/dbraw/zinc/72/89/40/621728940.db2.gz QMSVZYHBAAQLLK-ZFWWWQNUSA-N 0 0 310.397 3.477 20 10 DGCDRN COCC[C@@H](Cc1ccco1)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000757658164 621731454 /nfs/dbraw/zinc/73/14/54/621731454.db2.gz WQDBAWLFGGJICN-OCCSQVGLSA-N 0 0 307.365 3.423 20 10 DGCDRN CSc1cccc(NC(=O)COc2ccc(N(C)C)cc2)c1 ZINC000757705218 621734519 /nfs/dbraw/zinc/73/45/19/621734519.db2.gz RGICSXOXLGLPSU-UHFFFAOYSA-N 0 0 316.426 3.492 20 10 DGCDRN COc1ccc(N(C)CC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1Cl ZINC000757857931 621743390 /nfs/dbraw/zinc/74/33/90/621743390.db2.gz TWCNBIWBIAXIMX-CHWSQXEVSA-N 0 0 324.852 3.289 20 10 DGCDRN COc1ccc(N(C)CC(=O)Nc2ccc(C)cc2F)cc1F ZINC000757853215 621743499 /nfs/dbraw/zinc/74/34/99/621743499.db2.gz XCEPTKCEXYAYHJ-UHFFFAOYSA-N 0 0 320.339 3.357 20 10 DGCDRN CC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000757920900 621746855 /nfs/dbraw/zinc/74/68/55/621746855.db2.gz STALFBAFYHVQFB-CQSZACIVSA-N 0 0 303.761 3.006 20 10 DGCDRN COc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1OC1CC1 ZINC000864355796 621759921 /nfs/dbraw/zinc/75/99/21/621759921.db2.gz KPHKEPYRDZUVOE-MDWZMJQESA-N 0 0 321.423 3.067 20 10 DGCDRN Cc1cc(CCNC(=O)c2cnco2)c(C)n1-c1ccccc1 ZINC000758158780 621762573 /nfs/dbraw/zinc/76/25/73/621762573.db2.gz HVZKFORSUOXXNR-UHFFFAOYSA-N 0 0 309.369 3.055 20 10 DGCDRN CCc1ccc(OCC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000015134609 621767799 /nfs/dbraw/zinc/76/77/99/621767799.db2.gz IVHWUTQCPOZCMV-UHFFFAOYSA-N 0 0 312.413 3.010 20 10 DGCDRN COc1cc(C[N@@H+]2CCO[C@H](C3CCCCC3)C2)c(O)cc1C ZINC000758291774 621773345 /nfs/dbraw/zinc/77/33/45/621773345.db2.gz QEHXEBGBCXDUOI-IBGZPJMESA-N 0 0 319.445 3.490 20 10 DGCDRN O=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)C1=CC(=O)CS1 ZINC000758340792 621775468 /nfs/dbraw/zinc/77/54/68/621775468.db2.gz ZTFDYLFFKQOAQI-UHFFFAOYSA-N 0 0 321.308 3.374 20 10 DGCDRN CN(C)c1ccc(C[NH2+]C[C@H](CC(=O)[O-])C2CCCC2)cc1 ZINC000864523902 621778564 /nfs/dbraw/zinc/77/85/64/621778564.db2.gz OIYCXFYUVHDIPP-INIZCTEOSA-N 0 0 304.434 3.123 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000758546599 621787813 /nfs/dbraw/zinc/78/78/13/621787813.db2.gz QJKVANUMBBOXQN-SNVBAGLBSA-N 0 0 307.752 3.147 20 10 DGCDRN O=C(OCc1csc(-c2ccoc2)n1)c1cccc(O)c1O ZINC000758557130 621789100 /nfs/dbraw/zinc/78/91/00/621789100.db2.gz HWYXNRRAAGJONK-UHFFFAOYSA-N 0 0 317.322 3.171 20 10 DGCDRN O=C(OCc1cccc(OC(F)F)c1)c1cccc(O)c1O ZINC000758579425 621790262 /nfs/dbraw/zinc/79/02/62/621790262.db2.gz GNFPOTIGJKZEBD-UHFFFAOYSA-N 0 0 310.252 3.056 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+]C2CC(F)(F)C2)c1 ZINC000758595659 621790687 /nfs/dbraw/zinc/79/06/87/621790687.db2.gz BPORPWMWVQHHSI-UHFFFAOYSA-N 0 0 306.150 3.350 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2[nH]cnc2C(C)(C)C)cc1 ZINC000864633200 621794753 /nfs/dbraw/zinc/79/47/53/621794753.db2.gz BNLSKYDAKAZHFJ-UHFFFAOYSA-N 0 0 314.433 3.045 20 10 DGCDRN COC(=O)c1ccc(CN(C)c2ccc(OC)c(F)c2)c(F)c1 ZINC000759165965 621831319 /nfs/dbraw/zinc/83/13/19/621831319.db2.gz NBENTYDPGIKDFD-UHFFFAOYSA-N 0 0 321.323 3.396 20 10 DGCDRN Cn1cc(/C=C\C(=O)N2CCc3c2cccc3C(F)(F)F)cn1 ZINC000759274846 621842685 /nfs/dbraw/zinc/84/26/85/621842685.db2.gz XWORCDGGEMJIQY-WAYWQWQTSA-N 0 0 321.302 3.041 20 10 DGCDRN CCCc1nc(COC(=O)/C=C/c2ccc(O)c(O)c2)cs1 ZINC000759593458 621873666 /nfs/dbraw/zinc/87/36/66/621873666.db2.gz OPBOMRGZTVPSNY-FNORWQNLSA-N 0 0 319.382 3.263 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCCCc1cccc(F)c1 ZINC000759598274 621874162 /nfs/dbraw/zinc/87/41/62/621874162.db2.gz VKKAPUMBDKTLAA-VQHVLOKHSA-N 0 0 316.328 3.426 20 10 DGCDRN C[C@@H]1C[C@H]1c1nnc(NCc2cccc(Br)c2O)o1 ZINC000865295621 621892137 /nfs/dbraw/zinc/89/21/37/621892137.db2.gz IZVKXIFFVOQPST-VXNVDRBHSA-N 0 0 324.178 3.273 20 10 DGCDRN Oc1cccc(Cl)c1CNc1nnc([C@H]2CCCO2)s1 ZINC000865296164 621892542 /nfs/dbraw/zinc/89/25/42/621892542.db2.gz RINAIWWYDALWDH-LLVKDONJSA-N 0 0 311.794 3.361 20 10 DGCDRN CC(C)Oc1ccc(N(C)CC(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000759933014 621904064 /nfs/dbraw/zinc/90/40/64/621904064.db2.gz HQNBZSAULNOQJT-IYBDPMFKSA-N 0 0 318.461 3.415 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2oc(C3CC3)nc2C)c1 ZINC000759959528 621905735 /nfs/dbraw/zinc/90/57/35/621905735.db2.gz UKLCASVBWVJBQX-VIFPVBQESA-N 0 0 316.357 3.066 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc2nccnc2c1 ZINC000120576682 621929591 /nfs/dbraw/zinc/92/95/91/621929591.db2.gz AMNUAQSXXGHXSY-UHFFFAOYSA-N 0 0 321.380 3.388 20 10 DGCDRN CCCc1cc(NCc2cccc(OC)c2O)nc(Cl)n1 ZINC000865502593 621937543 /nfs/dbraw/zinc/93/75/43/621937543.db2.gz LPKICBIZPGTPEM-UHFFFAOYSA-N 0 0 307.781 3.409 20 10 DGCDRN COc1cccc(CNc2nc(C(C)C)nc3[nH]ccc32)c1O ZINC000865503066 621937568 /nfs/dbraw/zinc/93/75/68/621937568.db2.gz RJBQKOKHFWSWPA-UHFFFAOYSA-N 0 0 312.373 3.408 20 10 DGCDRN COc1ccc(O)c([C@@H](C)Nc2nc(C(C)(C)OC)ns2)c1 ZINC000865507846 621938586 /nfs/dbraw/zinc/93/85/86/621938586.db2.gz JRSYBBBHEOTRJB-SECBINFHSA-N 0 0 323.418 3.307 20 10 DGCDRN C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1O ZINC000760452988 621941372 /nfs/dbraw/zinc/94/13/72/621941372.db2.gz ABUYJRQHJFSASP-NSHDSACASA-N 0 0 305.761 3.129 20 10 DGCDRN Cc1cc(C)c2c(N)c(C(=O)OC[C@H]3CCCOC3)sc2n1 ZINC000760738946 621962801 /nfs/dbraw/zinc/96/28/01/621962801.db2.gz PSKICSVTDUBUMU-NSHDSACASA-N 0 0 320.414 3.079 20 10 DGCDRN COc1ccc(C[C@H](C)CNC(=O)C2=CC(=O)CS2)cc1 ZINC000760855631 621969070 /nfs/dbraw/zinc/96/90/70/621969070.db2.gz FQPLHLRGLCRWAU-NSHDSACASA-N 0 0 305.399 3.071 20 10 DGCDRN COc1ccc2c(c1)CCN2CC(C)(C)NC(=O)OC(C)(C)C ZINC000761185774 621992889 /nfs/dbraw/zinc/99/28/89/621992889.db2.gz WNSIESXXOZALAD-UHFFFAOYSA-N 0 0 320.433 3.361 20 10 DGCDRN CCC(CC)[C@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000761197285 621993278 /nfs/dbraw/zinc/99/32/78/621993278.db2.gz RJXRCLZATVVTSE-HNNXBMFYSA-N 0 0 318.461 3.416 20 10 DGCDRN CCOc1cccc(NCc2cc(Cl)cc(OC)c2O)n1 ZINC000761216381 621995316 /nfs/dbraw/zinc/99/53/16/621995316.db2.gz PVULXRJZIIFOMN-UHFFFAOYSA-N 0 0 308.765 3.460 20 10 DGCDRN COC(=O)c1cnc(Sc2cc(CC(C)C)ncn2)s1 ZINC000865843651 622006019 /nfs/dbraw/zinc/00/60/19/622006019.db2.gz RDNRVONQGWYXAE-UHFFFAOYSA-N 0 0 309.416 3.069 20 10 DGCDRN CC1(C)COc2ccc(NCc3ccccc3O)cc2NC1=O ZINC000865861681 622010436 /nfs/dbraw/zinc/01/04/36/622010436.db2.gz XVQCEWRTLQMZHG-UHFFFAOYSA-N 0 0 312.369 3.361 20 10 DGCDRN CCCCC[C@@H]1NC(=O)N([C@@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000761573609 622018507 /nfs/dbraw/zinc/01/85/07/622018507.db2.gz DBKLYLMLQGGSKI-BBRMVZONSA-N 0 0 317.433 3.314 20 10 DGCDRN O=[N+]([O-])c1cc2c(nc1N1Cc3cccc(O)c3C1)CCCC2 ZINC000866117150 622048408 /nfs/dbraw/zinc/04/84/08/622048408.db2.gz GUEUJMJTQMOOMS-UHFFFAOYSA-N 0 0 311.341 3.094 20 10 DGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCSC1 ZINC000762116555 622054304 /nfs/dbraw/zinc/05/43/04/622054304.db2.gz WWIYPIBHHXRINI-OAHLLOKOSA-N 0 0 304.459 3.046 20 10 DGCDRN CC[C@H](Cc1ccccc1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000762268010 622067274 /nfs/dbraw/zinc/06/72/74/622067274.db2.gz ZEIQLXXIESZPBE-MRXNPFEDSA-N 0 0 313.397 3.025 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)[C@H]1CCSC1 ZINC000762331276 622069253 /nfs/dbraw/zinc/06/92/53/622069253.db2.gz OCQKEHOJKAHMMQ-LBPRGKRZSA-N 0 0 324.409 3.088 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1ncnc2ccsc21 ZINC000762800830 622099553 /nfs/dbraw/zinc/09/95/53/622099553.db2.gz VTCOWEXMDIYVBL-VIFPVBQESA-N 0 0 301.371 3.146 20 10 DGCDRN Cc1cc2c(ncnc2N[C@H](C)Cc2ccc(O)c(O)c2)s1 ZINC000762800910 622099742 /nfs/dbraw/zinc/09/97/42/622099742.db2.gz YTXZVYFYDILLRA-SECBINFHSA-N 0 0 315.398 3.454 20 10 DGCDRN Cc1cc(C(=O)NC[C@H](O)C(C)C)c(C)n1-c1cccc(C)c1 ZINC000762983578 622114760 /nfs/dbraw/zinc/11/47/60/622114760.db2.gz FMZJVHADYKNONC-SFHVURJKSA-N 0 0 314.429 3.149 20 10 DGCDRN C[C@@H]([NH2+]CC[C@H](O)C(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000866442676 622119125 /nfs/dbraw/zinc/11/91/25/622119125.db2.gz QKJZWDRGRRXDRU-LDWIPMOCSA-N 0 0 314.159 3.366 20 10 DGCDRN Cc1noc(CCCN2CCCc3cc(OC(F)F)ccc32)n1 ZINC000763501248 622148575 /nfs/dbraw/zinc/14/85/75/622148575.db2.gz QLTNESURBNICMS-UHFFFAOYSA-N 0 0 323.343 3.365 20 10 DGCDRN C[C@@H]([NH2+]C1([C@H]2CCCCO2)CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866622592 622148798 /nfs/dbraw/zinc/14/87/98/622148798.db2.gz HKNAVWNSQNHZHL-MLGOLLRUSA-N 0 0 320.389 3.443 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCC(F)(F)C1 ZINC000763627593 622155928 /nfs/dbraw/zinc/15/59/28/622155928.db2.gz OXJAHOXFGRVLSL-AWEZNQCLSA-N 0 0 321.371 3.050 20 10 DGCDRN C[C@@H](CCc1ccc(F)cc1)C(=O)NCc1ccccc1O ZINC000866754743 622162224 /nfs/dbraw/zinc/16/22/24/622162224.db2.gz DDAYJDAWGSCXPZ-ZDUSSCGKSA-N 0 0 301.361 3.416 20 10 DGCDRN CC(C)(CC(=O)NCc1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000866769228 622163303 /nfs/dbraw/zinc/16/33/03/622163303.db2.gz INOXJSGVTHTFMQ-UHFFFAOYSA-N 0 0 317.360 3.221 20 10 DGCDRN COCc1sccc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000867502758 622169156 /nfs/dbraw/zinc/16/91/56/622169156.db2.gz CNNYKEZAFBDMDD-GFCCVEGCSA-N 0 0 318.442 3.452 20 10 DGCDRN CCOC1CC2(C[C@@H]2C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000867505461 622169491 /nfs/dbraw/zinc/16/94/91/622169491.db2.gz VJTQPQJJYQGHJT-BMJNKSMYSA-N 0 0 316.445 3.135 20 10 DGCDRN COc1ccc(N(C)CC(=O)N([C@@H](C)C2CC2)C2CC2)cc1F ZINC000121732846 622176311 /nfs/dbraw/zinc/17/63/11/622176311.db2.gz OYEWZJMFWMFVRZ-LBPRGKRZSA-N 0 0 320.408 3.060 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CC[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000764186568 622183386 /nfs/dbraw/zinc/18/33/86/622183386.db2.gz HQOOGWKOKNHMSN-UMSKNGNOSA-N 0 0 316.357 3.017 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CC[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000764186552 622183565 /nfs/dbraw/zinc/18/35/65/622183565.db2.gz HQOOGWKOKNHMSN-NMNMAYGDSA-N 0 0 316.357 3.017 20 10 DGCDRN COc1ccc(N(C)C[C@@H](O)COc2ccccc2C)cc1F ZINC000121829181 622184167 /nfs/dbraw/zinc/18/41/67/622184167.db2.gz CPSUJVHNBDSYLB-OAHLLOKOSA-N 0 0 319.376 3.019 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CC(c2nc3ccccc3s2)C1 ZINC000764323551 622188855 /nfs/dbraw/zinc/18/88/55/622188855.db2.gz ABVWOCZLKGGAQW-UHFFFAOYSA-N 0 0 316.407 3.303 20 10 DGCDRN C[C@H](NC(=O)[C@H]1CC(=O)c2ccccc21)c1ccc(N(C)C)cc1 ZINC000789665183 625546569 /nfs/dbraw/zinc/54/65/69/625546569.db2.gz BABPTTDTBJSSCK-UGSOOPFHSA-N 0 0 322.408 3.300 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](C2CC2)C1 ZINC000764407639 622191972 /nfs/dbraw/zinc/19/19/72/622191972.db2.gz OWNKLHDNTVPTSQ-MRXNPFEDSA-N 0 0 301.434 3.003 20 10 DGCDRN COc1ccc(C)cc1CNC(=O)N[C@H](C)c1ccccc1O ZINC000868012617 622204836 /nfs/dbraw/zinc/20/48/36/622204836.db2.gz IXEYGDQAGVHNSA-CYBMUJFWSA-N 0 0 314.385 3.270 20 10 DGCDRN C[C@H](NC(=O)NCCO[C@@H]1CCCC[C@@H]1C)c1ccccc1O ZINC000868103151 622214473 /nfs/dbraw/zinc/21/44/73/622214473.db2.gz GDVYCTFSYRNHCN-GRDNDAEWSA-N 0 0 320.433 3.348 20 10 DGCDRN C[C@@H](Cc1ccsc1)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868127192 622216542 /nfs/dbraw/zinc/21/65/42/622216542.db2.gz ZLPXODAROSYODK-RYUDHWBXSA-N 0 0 304.415 3.445 20 10 DGCDRN CCOc1ccccc1CNC(=O)N[C@@H](C)c1ccccc1O ZINC000868129356 622216991 /nfs/dbraw/zinc/21/69/91/622216991.db2.gz XCXVQFWCZPQXCX-ZDUSSCGKSA-N 0 0 314.385 3.351 20 10 DGCDRN CO[C@@H](CNC(=O)N[C@H](C)c1ccccc1O)c1ccccc1 ZINC000868129887 622217053 /nfs/dbraw/zinc/21/70/53/622217053.db2.gz UMNWMDKKIWFRHB-DYVFJYSZSA-N 0 0 314.385 3.140 20 10 DGCDRN C[C@H](NC(=O)NCCCOC1CCCC1)c1ccccc1O ZINC000868174696 622221933 /nfs/dbraw/zinc/22/19/33/622221933.db2.gz INEDIXQXFTXUAU-ZDUSSCGKSA-N 0 0 306.406 3.102 20 10 DGCDRN Cc1noc(C)c1[C@H](C)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868251819 622228710 /nfs/dbraw/zinc/22/87/10/622228710.db2.gz AUQBBTMXEGSAMZ-UWVGGRQHSA-N 0 0 303.362 3.118 20 10 DGCDRN C[C@@H](NC(=O)N[C@H]1C[C@@H]1Cc1ccccc1)c1ccccc1O ZINC000868309317 622233035 /nfs/dbraw/zinc/23/30/35/622233035.db2.gz UBJPAHOYOYCGHS-KMFMINBZSA-N 0 0 310.397 3.384 20 10 DGCDRN COc1ccc(N2CCN(c3nc(C)ccc3Cl)CC2)cc1 ZINC000765002860 622239067 /nfs/dbraw/zinc/23/90/67/622239067.db2.gz ZLGZQIZBTVXZRE-UHFFFAOYSA-N 0 0 317.820 3.379 20 10 DGCDRN Cc1noc(C)c1[C@H](C)CNC(=O)N[C@H](C)c1ccccc1O ZINC000868432838 622243545 /nfs/dbraw/zinc/24/35/45/622243545.db2.gz GABDYALFNGPBRN-GHMZBOCLSA-N 0 0 317.389 3.161 20 10 DGCDRN Cc1ccsc1CCNC(=O)N[C@H](C)c1ccccc1O ZINC000868474620 622247677 /nfs/dbraw/zinc/24/76/77/622247677.db2.gz MOMKUNLMPNVGBU-GFCCVEGCSA-N 0 0 304.415 3.365 20 10 DGCDRN COC1CCC(CCNC(=O)N[C@H](C)c2ccccc2O)CC1 ZINC000868498202 622250334 /nfs/dbraw/zinc/25/03/34/622250334.db2.gz KVETZTPJWDGMJD-WLYUNCDWSA-N 0 0 320.433 3.348 20 10 DGCDRN CS[C@H]1C[C@H](NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000868515674 622253278 /nfs/dbraw/zinc/25/32/78/622253278.db2.gz PKDAKMUCNNZKAF-UXIGCNINSA-N 0 0 307.463 3.007 20 10 DGCDRN COCC1(CNC(=O)N[C@H](C)c2ccccc2O)CCCCC1 ZINC000868631413 622265874 /nfs/dbraw/zinc/26/58/74/622265874.db2.gz SEFGDQBIBINEKM-CQSZACIVSA-N 0 0 320.433 3.349 20 10 DGCDRN CCCc1nc(C)c(CNC(=O)N[C@H](C)c2ccccc2O)o1 ZINC000868642636 622267267 /nfs/dbraw/zinc/26/72/67/622267267.db2.gz RXNPVGKWIQXLFI-LLVKDONJSA-N 0 0 317.389 3.202 20 10 DGCDRN CC[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)[C@H]1CCCCO1 ZINC000868754256 622281493 /nfs/dbraw/zinc/28/14/93/622281493.db2.gz HLIQCOPCJIGJTJ-JGGQBBKZSA-N 0 0 306.406 3.100 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCC[C@H]1CCSC1 ZINC000868831051 622290853 /nfs/dbraw/zinc/29/08/53/622290853.db2.gz QGCADHTZXRGORD-AWEZNQCLSA-N 0 0 321.490 3.003 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NCC[C@H]2CCCS2)cc1 ZINC000868979486 622305914 /nfs/dbraw/zinc/30/59/14/622305914.db2.gz TZOHKFAUVFRUSX-MRXNPFEDSA-N 0 0 321.490 3.180 20 10 DGCDRN O=[N+]([O-])c1cc(CNc2ccon2)ccc1N1CCCCC1 ZINC000766108665 622306735 /nfs/dbraw/zinc/30/67/35/622306735.db2.gz FLCQBTJEDJOMCB-UHFFFAOYSA-N 0 0 302.334 3.185 20 10 DGCDRN CCOc1ccc(CNc2nc3cc(F)ccc3n2C)c(O)c1 ZINC000766109198 622306864 /nfs/dbraw/zinc/30/68/64/622306864.db2.gz UISSRPTTYXMTIC-UHFFFAOYSA-N 0 0 315.348 3.429 20 10 DGCDRN COc1ccc2c(c1)CCCCN2Cc1nnc(C)n1C1CC1 ZINC000766271112 622316233 /nfs/dbraw/zinc/31/62/33/622316233.db2.gz XEKYBQMPVRITQV-UHFFFAOYSA-N 0 0 312.417 3.273 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N3CCC4(CCC4)C3)ccc21 ZINC000122431421 622318374 /nfs/dbraw/zinc/31/83/74/622318374.db2.gz ICOOHUYZLLJODD-UHFFFAOYSA-N 0 0 313.445 3.155 20 10 DGCDRN Cc1ccc(F)c(C(=O)NCc2ccc(N(C)C)c(F)c2)c1F ZINC000766386526 622326317 /nfs/dbraw/zinc/32/63/17/622326317.db2.gz LJNJYSKWALTFAG-UHFFFAOYSA-N 0 0 322.330 3.408 20 10 DGCDRN CCOc1ccc(CNc2nc3ccc(F)cc3n2C)c(O)c1 ZINC000766519465 622336349 /nfs/dbraw/zinc/33/63/49/622336349.db2.gz GVIWIYUNBDBVFH-UHFFFAOYSA-N 0 0 315.348 3.429 20 10 DGCDRN CCC(CC)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000122519452 622338678 /nfs/dbraw/zinc/33/86/78/622338678.db2.gz SDCNPUMAPKBPQC-UHFFFAOYSA-N 0 0 322.424 3.105 20 10 DGCDRN C[C@H](NC(=O)NCc1ccccc1O)c1cccc(F)c1F ZINC000766561790 622339540 /nfs/dbraw/zinc/33/95/40/622339540.db2.gz ZJCUEXUIMSEMGR-JTQLQIEISA-N 0 0 306.312 3.231 20 10 DGCDRN O=C(CCc1cccc(Cl)c1)NCCc1ccc(O)c(O)c1 ZINC000122583727 622355511 /nfs/dbraw/zinc/35/55/11/622355511.db2.gz UGGIMECSVINUEJ-UHFFFAOYSA-N 0 0 319.788 3.043 20 10 DGCDRN Oc1ccc(Cl)cc1CN1CCN(Cc2ccsc2)CC1 ZINC000768208119 622445481 /nfs/dbraw/zinc/44/54/81/622445481.db2.gz NGMMFIFJZBHCOP-UHFFFAOYSA-N 0 0 322.861 3.425 20 10 DGCDRN C[C@H]([NH2+]C[C@]1(C)CCO[C@H]1C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000768295185 622448990 /nfs/dbraw/zinc/44/89/90/622448990.db2.gz SIGCXPRSPMJDJX-GOPGUHFVSA-N 0 0 320.389 3.156 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@H]1CCCc2sccc21 ZINC000768308271 622449604 /nfs/dbraw/zinc/44/96/04/622449604.db2.gz VBXOTRAREAWAMW-ZDUSSCGKSA-N 0 0 302.399 3.331 20 10 DGCDRN CC(=O)CCN(C)C(=O)c1sccc1-n1c(C)ccc1C ZINC000768354116 622451565 /nfs/dbraw/zinc/45/15/65/622451565.db2.gz PBWPZNQDCHXOFV-UHFFFAOYSA-N 0 0 304.415 3.207 20 10 DGCDRN CCc1nc(CN(C)Cc2cc(OC)c(C)cc2O)cs1 ZINC000768442135 622456302 /nfs/dbraw/zinc/45/63/02/622456302.db2.gz JIPURXFYRGOIRB-UHFFFAOYSA-N 0 0 306.431 3.360 20 10 DGCDRN C[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)c2ccccc21 ZINC000768462491 622457972 /nfs/dbraw/zinc/45/79/72/622457972.db2.gz LYURVGAVWMBGRU-KZULUSFZSA-N 0 0 311.381 3.332 20 10 DGCDRN COc1cc(O)c(CN(CC(F)F)CC2CCC2)cc1OC ZINC000768464616 622457988 /nfs/dbraw/zinc/45/79/88/622457988.db2.gz DENWSRWILAALSG-UHFFFAOYSA-N 0 0 315.360 3.277 20 10 DGCDRN C[C@H]1Cc2ccccc2N(Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768463289 622458324 /nfs/dbraw/zinc/45/83/24/622458324.db2.gz QZQPLHXKPVMWBL-SGTLLEGYSA-N 0 0 311.381 3.017 20 10 DGCDRN C[C@@]1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCO[C@H]1C1CC1 ZINC000768540590 622463557 /nfs/dbraw/zinc/46/35/57/622463557.db2.gz JMOJNWIXWOTSSZ-HOTGVXAUSA-N 0 0 313.800 3.480 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCC(C)(C)C1 ZINC000768763697 622475087 /nfs/dbraw/zinc/47/50/87/622475087.db2.gz JYXVXHZOQZFFND-HNNXBMFYSA-N 0 0 303.450 3.439 20 10 DGCDRN CCc1nc([C@@H]2CCCCN2Cc2c(O)cccc2OC)no1 ZINC000768969361 622488979 /nfs/dbraw/zinc/48/89/79/622488979.db2.gz ZCCWZKDNFRCXCZ-ZDUSSCGKSA-N 0 0 317.389 3.073 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)CCC1CC1 ZINC000768970090 622489101 /nfs/dbraw/zinc/48/91/01/622489101.db2.gz SMNKIKUCHGFWAJ-CQSZACIVSA-N 0 0 303.450 3.439 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C)CCOC(C)(C)C ZINC000769110769 622499161 /nfs/dbraw/zinc/49/91/61/622499161.db2.gz WWEIWCFIERAEMV-UHFFFAOYSA-N 0 0 321.465 3.018 20 10 DGCDRN C[C@H]1C[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H](C)S1 ZINC000769140203 622501829 /nfs/dbraw/zinc/50/18/29/622501829.db2.gz DNVCAWIFGXNUTC-IUCAKERBSA-N 0 0 316.810 3.280 20 10 DGCDRN O=C(CCOc1ccc(Cl)cc1)NCc1ccccc1O ZINC000769362969 622520598 /nfs/dbraw/zinc/52/05/98/622520598.db2.gz BUOSJWILIUPNTJ-UHFFFAOYSA-N 0 0 305.761 3.131 20 10 DGCDRN COC(=O)[C@@H]1c2ccccc2CCN1Cc1ccc(N(C)C)cc1 ZINC000769516986 622537337 /nfs/dbraw/zinc/53/73/37/622537337.db2.gz XRTHKANVEVUBFS-IBGZPJMESA-N 0 0 324.424 3.025 20 10 DGCDRN CCN(CC)c1ccc(CN(C)[C@@H](C)C(=O)OC(C)C)cc1 ZINC000769524609 622537823 /nfs/dbraw/zinc/53/78/23/622537823.db2.gz PSCHACSJHDNYEJ-HNNXBMFYSA-N 0 0 306.450 3.305 20 10 DGCDRN CCOc1ccc(CN(C)Cc2ncc(CC)s2)c(O)c1 ZINC000769523426 622538076 /nfs/dbraw/zinc/53/80/76/622538076.db2.gz BEDSBSIGWUAFLG-UHFFFAOYSA-N 0 0 306.431 3.442 20 10 DGCDRN O=C(c1cccc([C@@H]2CCOC2)c1)N1Cc2cccc(O)c2C1 ZINC000871203812 622567207 /nfs/dbraw/zinc/56/72/07/622567207.db2.gz RLJNQWSPMXOPNV-MRXNPFEDSA-N 0 0 309.365 3.052 20 10 DGCDRN COc1ccccc1[C@H](C)CC(=O)N1Cc2cccc(O)c2C1 ZINC000871203031 622567338 /nfs/dbraw/zinc/56/73/38/622567338.db2.gz PXRLJEDEFKZIEJ-CYBMUJFWSA-N 0 0 311.381 3.437 20 10 DGCDRN CC[C@@H]1CCCC[C@@H]1OCC(=O)N1Cc2cccc(O)c2C1 ZINC000871203510 622567381 /nfs/dbraw/zinc/56/73/81/622567381.db2.gz AYKLMSGNCNTYFC-DYVFJYSZSA-N 0 0 303.402 3.220 20 10 DGCDRN Cc1cc2c(cc1C)[C@@H](C(=O)N1Cc3cccc(O)c3C1)CO2 ZINC000871204408 622567908 /nfs/dbraw/zinc/56/79/08/622567908.db2.gz HZPGODYRRFKGPW-INIZCTEOSA-N 0 0 309.365 3.027 20 10 DGCDRN O=C(CO[C@@H]1CCCc2ccccc21)N1Cc2cccc(O)c2C1 ZINC000871204526 622568128 /nfs/dbraw/zinc/56/81/28/622568128.db2.gz FNXMUKRNKSISQY-LJQANCHMSA-N 0 0 323.392 3.329 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2C[C@H]2C(F)(F)F)c(C)n1-c1ccccn1 ZINC000871206851 622569083 /nfs/dbraw/zinc/56/90/83/622569083.db2.gz OJRBVLYDRNWIME-CHWSQXEVSA-N 0 0 323.318 3.170 20 10 DGCDRN Cn1ncc(NCc2cccc(Br)c2O)c1C1CC1 ZINC000769926666 622577590 /nfs/dbraw/zinc/57/75/90/622577590.db2.gz YEENWRODAOJKSK-UHFFFAOYSA-N 0 0 322.206 3.378 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000770002687 622589067 /nfs/dbraw/zinc/58/90/67/622589067.db2.gz NCDVWDRAZKTTTC-UHFFFAOYSA-N 0 0 321.720 3.276 20 10 DGCDRN CC1(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 ZINC000123603541 622615574 /nfs/dbraw/zinc/61/55/74/622615574.db2.gz WPFJZGOYNATLLA-UHFFFAOYSA-N 0 0 305.333 3.201 20 10 DGCDRN C[C@@H]1CN(Cc2c(O)cccc2Cl)CCN1CC(F)(F)F ZINC000770393490 622629328 /nfs/dbraw/zinc/62/93/28/622629328.db2.gz YQFPYVWXHVVYTD-SNVBAGLBSA-N 0 0 322.758 3.114 20 10 DGCDRN CCN(CC)c1ccc(CNc2ccc3c(c2)C(=O)NCC3)cc1 ZINC000770577444 622648514 /nfs/dbraw/zinc/64/85/14/622648514.db2.gz AFVXVLJPEVROLZ-UHFFFAOYSA-N 0 0 323.440 3.431 20 10 DGCDRN COC(=O)c1cnc(S[C@@H](Cc2ccccc2)C(C)=O)s1 ZINC000871674352 622664340 /nfs/dbraw/zinc/66/43/40/622664340.db2.gz WGDSFVXFVCPQLI-LBPRGKRZSA-N 0 0 321.423 3.222 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@H]2CC23CCCCC3)cc1F ZINC000770804442 622671692 /nfs/dbraw/zinc/67/16/92/622671692.db2.gz JZPALPPCBVKUJG-INIZCTEOSA-N 0 0 319.424 3.414 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)O[C@H]1CCO[C@H]1C ZINC000771036515 622706787 /nfs/dbraw/zinc/70/67/87/622706787.db2.gz LFOPQRSTCQUUPV-JSGCOSHPSA-N 0 0 305.399 3.490 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(c2cccnc2)CC1 ZINC000789963605 625588478 /nfs/dbraw/zinc/58/84/78/625588478.db2.gz FUFWZFVXCHLUCN-UHFFFAOYSA-N 0 0 323.440 3.228 20 10 DGCDRN CC(C)Nc1ccccc1NCCN1C(=O)c2ccccc2C1=O ZINC000871846793 622715287 /nfs/dbraw/zinc/71/52/87/622715287.db2.gz APAIVRMLSJSXJL-UHFFFAOYSA-N 0 0 323.396 3.215 20 10 DGCDRN O=C([O-])[C@H](CC1CC1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000871882551 622729297 /nfs/dbraw/zinc/72/92/97/622729297.db2.gz MAIMIDRKGISNIQ-KRWDZBQOSA-N 0 0 302.418 3.020 20 10 DGCDRN C[C@@H](CNC(=O)c1c(F)ccc(O)c1O)Sc1ccccc1 ZINC000789987040 625591732 /nfs/dbraw/zinc/59/17/32/625591732.db2.gz PTIXDTCYYMMNHF-JTQLQIEISA-N 0 0 321.373 3.148 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1ncccn1 ZINC000771822530 622799697 /nfs/dbraw/zinc/79/96/97/622799697.db2.gz JRRCJCZLTYIDTF-UHFFFAOYSA-N 0 0 320.396 3.123 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCCCO2)cc1 ZINC000772029367 622837225 /nfs/dbraw/zinc/83/72/25/622837225.db2.gz KVANPRVKGZYSNZ-QGZVFWFLSA-N 0 0 304.434 3.060 20 10 DGCDRN COc1ccc2c(c1)CC[C@H]2c1nc(Cc2ccc(N)cc2)no1 ZINC000872170163 622849081 /nfs/dbraw/zinc/84/90/81/622849081.db2.gz DYZMGLMVACBFGR-QGZVFWFLSA-N 0 0 321.380 3.329 20 10 DGCDRN Cc1cncc(/C=C\C(=O)N2CCOc3c(Cl)cccc32)c1 ZINC000772168992 622860961 /nfs/dbraw/zinc/86/09/61/622860961.db2.gz KZVTXIOCANNFJN-WAYWQWQTSA-N 0 0 314.772 3.482 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@]2(C)CCCOC2)cc1 ZINC000772901988 622952325 /nfs/dbraw/zinc/95/23/25/622952325.db2.gz GVLLTSFHCBADFD-IBGZPJMESA-N 0 0 312.413 3.393 20 10 DGCDRN CO[C@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000772992770 622962007 /nfs/dbraw/zinc/96/20/07/622962007.db2.gz AOTKCCPVLZAKKV-KDOFPFPSSA-N 0 0 312.413 3.318 20 10 DGCDRN C[C@H](NC(=O)Cc1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000772993457 622962553 /nfs/dbraw/zinc/96/25/53/622962553.db2.gz HTHVQAFYFTVBAA-ZDUSSCGKSA-N 0 0 300.377 3.312 20 10 DGCDRN COc1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)ccc1F ZINC000772995419 622962913 /nfs/dbraw/zinc/96/29/13/622962913.db2.gz BLMIGDLBQUTGML-GFCCVEGCSA-N 0 0 316.376 3.391 20 10 DGCDRN Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000772997351 622963137 /nfs/dbraw/zinc/96/31/37/622963137.db2.gz HFUURJSFCOSREN-RYUDHWBXSA-N 0 0 314.433 3.073 20 10 DGCDRN Cc1n[nH]c(C)c1[C@@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000772997349 622963232 /nfs/dbraw/zinc/96/32/32/622963232.db2.gz HFUURJSFCOSREN-NEPJUHHUSA-N 0 0 314.433 3.073 20 10 DGCDRN C[C@@H](NC(=O)c1ccc2c(c1)CCO2)c1ccc(N(C)C)cc1 ZINC000773005703 622964770 /nfs/dbraw/zinc/96/47/70/622964770.db2.gz COOAZXQVVFFGNE-CYBMUJFWSA-N 0 0 310.397 3.179 20 10 DGCDRN C[C@H](NC(=O)c1cnn(C(C)(C)C)c1)c1ccc(N(C)C)cc1 ZINC000773005828 622964866 /nfs/dbraw/zinc/96/48/66/622964866.db2.gz DAMFCYFKZABQOO-ZDUSSCGKSA-N 0 0 314.433 3.195 20 10 DGCDRN C[C@@H](NC(=O)c1noc2c1CCCC2)c1ccc(N(C)C)cc1 ZINC000773008312 622964942 /nfs/dbraw/zinc/96/49/42/622964942.db2.gz NPFMNQSZDWDERI-GFCCVEGCSA-N 0 0 313.401 3.110 20 10 DGCDRN CC(C)c1ncncc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773008276 622965310 /nfs/dbraw/zinc/96/53/10/622965310.db2.gz MWHKCKKKNBPZEN-ZDUSSCGKSA-N 0 0 312.417 3.157 20 10 DGCDRN C[C@@H](NC(=O)Cc1ccc2c(c1)COC2)c1ccc(N(C)C)cc1 ZINC000773014934 622966924 /nfs/dbraw/zinc/96/69/24/622966924.db2.gz NQNMCUPFSFDDCA-CQSZACIVSA-N 0 0 324.424 3.203 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(NC2CC2)nc1)c1ccc(N(C)C)cc1 ZINC000773017603 622968039 /nfs/dbraw/zinc/96/80/39/622968039.db2.gz HOUFNBFHFLUOES-CYBMUJFWSA-N 0 0 324.428 3.213 20 10 DGCDRN C[C@@H](NC(=O)[C@@H]1COc2ccccc21)c1ccc(N(C)C)cc1 ZINC000773015006 622968349 /nfs/dbraw/zinc/96/83/49/622968349.db2.gz MXQYWGGQNLKQLO-CXAGYDPISA-N 0 0 310.397 3.106 20 10 DGCDRN C[C@H](NC(=O)CC[C@@H]1CC[C@@H](C)O1)c1ccc(N(C)C)cc1 ZINC000773019487 622969305 /nfs/dbraw/zinc/96/93/05/622969305.db2.gz MBVQLWBVRSATIY-KEYYUXOJSA-N 0 0 304.434 3.278 20 10 DGCDRN Cc1ccccc1S(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773083902 622980603 /nfs/dbraw/zinc/98/06/03/622980603.db2.gz LCNUHQRNYNXAEH-CQSZACIVSA-N 0 0 318.442 3.101 20 10 DGCDRN Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000773086648 622980873 /nfs/dbraw/zinc/98/08/73/622980873.db2.gz FIYDMALYOUZIJM-AWEZNQCLSA-N 0 0 318.442 3.101 20 10 DGCDRN Cc1cccc(NC(=S)NCc2ccc(OC(F)F)cn2)c1 ZINC000773201430 622998710 /nfs/dbraw/zinc/99/87/10/622998710.db2.gz SRZVDEPUOJPCSD-UHFFFAOYSA-N 0 0 323.368 3.478 20 10 DGCDRN CCc1cc(N2CC=C(c3ccc(Cl)nc3)CC2)ncn1 ZINC000773254019 623004758 /nfs/dbraw/zinc/00/47/58/623004758.db2.gz HXHILJVHAIODBD-UHFFFAOYSA-N 0 0 300.793 3.381 20 10 DGCDRN CC(=O)C(C)(C)CCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000773276700 623007631 /nfs/dbraw/zinc/00/76/31/623007631.db2.gz GKTAQVWTEYAURL-UHFFFAOYSA-N 0 0 316.445 3.298 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1CCC(F)(F)C1)c1ccc(N(C)C)cc1 ZINC000773393506 623021779 /nfs/dbraw/zinc/02/17/79/623021779.db2.gz WWYYZWGASMJJIU-AAEUAGOBSA-N 0 0 311.376 3.301 20 10 DGCDRN C[C@H](NC(=O)NCC1(C2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000773412638 623024487 /nfs/dbraw/zinc/02/44/87/623024487.db2.gz AYIMGDWIDJPYNO-ZDUSSCGKSA-N 0 0 301.434 3.303 20 10 DGCDRN CC[C@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCCO1 ZINC000773413235 623024534 /nfs/dbraw/zinc/02/45/34/623024534.db2.gz GLMYPWLZZDWQQZ-COXVUDFISA-N 0 0 319.449 3.070 20 10 DGCDRN Cc1cncc(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773421694 623025164 /nfs/dbraw/zinc/02/51/64/623025164.db2.gz BTAVCXBTNCWBAH-AWEZNQCLSA-N 0 0 312.417 3.016 20 10 DGCDRN C[C@@H](NC(=O)NCc1ccccc1O)c1ccc(N(C)C)cc1 ZINC000773621556 623051630 /nfs/dbraw/zinc/05/16/30/623051630.db2.gz ZKNZVLRSNBPDCS-CYBMUJFWSA-N 0 0 313.401 3.019 20 10 DGCDRN C[C@H](NC(=O)N(C)C[C@@H]1CCCCO1)c1ccc(N(C)C)cc1 ZINC000773622697 623052386 /nfs/dbraw/zinc/05/23/86/623052386.db2.gz RWOCTDWUXQOEOH-YOEHRIQHSA-N 0 0 319.449 3.024 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)C(C)(C)c2ccccn2)cc1 ZINC000773726995 623063752 /nfs/dbraw/zinc/06/37/52/623063752.db2.gz SOTBXXLOTLFONW-UHFFFAOYSA-N 0 0 311.429 3.084 20 10 DGCDRN C[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)c1ccccn1 ZINC000773785986 623073117 /nfs/dbraw/zinc/07/31/17/623073117.db2.gz GALKNSRUQURVOZ-OAHLLOKOSA-N 0 0 309.413 3.102 20 10 DGCDRN CCC1=C(C(=O)N(C)Cc2ccc(N(C)C)cc2)CCCO1 ZINC000790230591 625619907 /nfs/dbraw/zinc/61/99/07/625619907.db2.gz KNPGOILLOLBWCU-UHFFFAOYSA-N 0 0 302.418 3.186 20 10 DGCDRN C[C@H](NC(=O)c1ccc(Cl)nc1)c1ccc(N(C)C)cc1 ZINC000773988527 623096961 /nfs/dbraw/zinc/09/69/61/623096961.db2.gz LTJUZMNLNARMBE-NSHDSACASA-N 0 0 303.793 3.292 20 10 DGCDRN Nc1c(Cl)ccc(C(=O)NCc2ccccc2O)c1Cl ZINC000774066277 623103477 /nfs/dbraw/zinc/10/34/77/623103477.db2.gz SHEFJTBUOFUKMH-UHFFFAOYSA-N 0 0 311.168 3.211 20 10 DGCDRN COCCOC[C@H](C)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774254826 623125070 /nfs/dbraw/zinc/12/50/70/623125070.db2.gz RDVSQGHNURNERI-UWVGGRQHSA-N 0 0 322.232 3.401 20 10 DGCDRN C[C@H](NC(=S)NCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000774259153 623125743 /nfs/dbraw/zinc/12/57/43/623125743.db2.gz VZVIKIFPZUATEJ-AWEZNQCLSA-N 0 0 313.470 3.478 20 10 DGCDRN COc1cccc(Cl)c1CNC(=O)NCc1ccccc1O ZINC000790263778 625623755 /nfs/dbraw/zinc/62/37/55/625623755.db2.gz DKSHMUYUZYRTIR-UHFFFAOYSA-N 0 0 320.776 3.054 20 10 DGCDRN C[C@H]([NH2+][C@H](CO)CC(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000774381345 623138377 /nfs/dbraw/zinc/13/83/77/623138377.db2.gz MGMJIXDGDKSOQI-BQBZGAKWSA-N 0 0 314.159 3.366 20 10 DGCDRN C[C@]1(CNC(=O)NCc2ccccc2O)CCCc2ccccc21 ZINC000774765993 623188864 /nfs/dbraw/zinc/18/88/64/623188864.db2.gz PASMMNBIRZISBX-HXUWFJFHSA-N 0 0 324.424 3.486 20 10 DGCDRN C[C@@H]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC000873749718 623210543 /nfs/dbraw/zinc/21/05/43/623210543.db2.gz PFWNWXAMWCEARU-UHIISALHSA-N 0 0 302.378 3.404 20 10 DGCDRN COc1c([O-])c(C[NH2+]CCC2CCCCC2)ccc1[N+](=O)[O-] ZINC000774963874 623211939 /nfs/dbraw/zinc/21/19/39/623211939.db2.gz LQKQZPVNOLLRKC-UHFFFAOYSA-N 0 0 308.378 3.369 20 10 DGCDRN COc1c([O-])c(C[NH2+]C[C@@H]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774982975 623213787 /nfs/dbraw/zinc/21/37/87/623213787.db2.gz HHJHRSUXMNYVDV-RYUDHWBXSA-N 0 0 308.378 3.225 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775016102 623216894 /nfs/dbraw/zinc/21/68/94/623216894.db2.gz NZTATAILVIYSHS-NTZNESFSSA-N 0 0 308.378 3.223 20 10 DGCDRN CC(C)OC1(C(=O)N(C)Cc2ccc(N(C)C)cc2)CCC1 ZINC000873860599 623217169 /nfs/dbraw/zinc/21/71/69/623217169.db2.gz RHCHZMJCJMODNQ-UHFFFAOYSA-N 0 0 304.434 3.059 20 10 DGCDRN CCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CCC1 ZINC000775034090 623218940 /nfs/dbraw/zinc/21/89/40/623218940.db2.gz QPWRBSJSLUDQOH-UHFFFAOYSA-N 0 0 308.378 3.369 20 10 DGCDRN COc1c(O)c(CN2CCc3cccc(C)c32)ccc1[N+](=O)[O-] ZINC000775057775 623222787 /nfs/dbraw/zinc/22/27/87/623222787.db2.gz RUOBURLCFGAUJJ-UHFFFAOYSA-N 0 0 314.341 3.180 20 10 DGCDRN C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000873976315 623225792 /nfs/dbraw/zinc/22/57/92/623225792.db2.gz HLLNEANNTDPYIN-BXUZGUMPSA-N 0 0 302.378 3.500 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CCC[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000775096500 623230650 /nfs/dbraw/zinc/23/06/50/623230650.db2.gz CQQQFXUDYJTSIM-GFCCVEGCSA-N 0 0 308.378 3.177 20 10 DGCDRN CCOc1ccc(CNc2ccc(C(=O)N(C)C)cc2)c(O)c1 ZINC000775183420 623239515 /nfs/dbraw/zinc/23/95/15/623239515.db2.gz XMUHRXHZQHOQRN-UHFFFAOYSA-N 0 0 314.385 3.105 20 10 DGCDRN Cc1ccc([C@@H](O)C[NH2+]Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC000775200635 623241405 /nfs/dbraw/zinc/24/14/05/623241405.db2.gz NIJVYFARHOMOBY-HNNXBMFYSA-N 0 0 309.768 3.316 20 10 DGCDRN C[C@H]1CCCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874187363 623247897 /nfs/dbraw/zinc/24/78/97/623247897.db2.gz AVDNEGSMAWMXDK-AAEUAGOBSA-N 0 0 302.378 3.405 20 10 DGCDRN C[C@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000775362619 623260554 /nfs/dbraw/zinc/26/05/54/623260554.db2.gz IZVSOGJNZGNVTA-LBPRGKRZSA-N 0 0 315.373 3.217 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H]2C2CCC2)cc1 ZINC000874337971 623261131 /nfs/dbraw/zinc/26/11/31/623261131.db2.gz LWOUBVZOYLCXIW-AWEZNQCLSA-N 0 0 300.362 3.254 20 10 DGCDRN CC(=O)CCC(C)(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775407859 623270643 /nfs/dbraw/zinc/27/06/43/623270643.db2.gz XBWOLCPTQNTEPF-AWEZNQCLSA-N 0 0 304.434 3.325 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775411182 623271189 /nfs/dbraw/zinc/27/11/89/623271189.db2.gz PINOUOZTIFNYDD-JOZWUWCOSA-N 0 0 309.413 3.347 20 10 DGCDRN Cc1cnc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000775432626 623274076 /nfs/dbraw/zinc/27/40/76/623274076.db2.gz KHGWIQXQMMSTNS-NSHDSACASA-N 0 0 304.419 3.400 20 10 DGCDRN CSCC[C@@H](C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000125024145 623275491 /nfs/dbraw/zinc/27/54/91/623275491.db2.gz XTJSYTTXSFQAOU-SECBINFHSA-N 0 0 304.253 3.386 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCC[C@@H]1OC ZINC000775457005 623276919 /nfs/dbraw/zinc/27/69/19/623276919.db2.gz FCZSKSBSFLXJCT-PBHICJAKSA-N 0 0 320.433 3.129 20 10 DGCDRN CC[C@@H]([NH2+]C[C@](C)(O)COC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775503123 623281399 /nfs/dbraw/zinc/28/13/99/623281399.db2.gz BQGBGCUFKLIMNX-RISCZKNCSA-N 0 0 322.232 3.137 20 10 DGCDRN C[C@H]([NH2+]CCC(C)(C)O)c1cc(Br)cc(F)c1[O-] ZINC000775586569 623293828 /nfs/dbraw/zinc/29/38/28/623293828.db2.gz SIKISIHIEMHPJG-QMMMGPOBSA-N 0 0 320.202 3.105 20 10 DGCDRN CC(C)(C)[N@@H+]1CCCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775665273 623309064 /nfs/dbraw/zinc/30/90/64/623309064.db2.gz KBGUEPFEKLXICB-UHFFFAOYSA-N 0 0 314.832 3.491 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000775725086 623319296 /nfs/dbraw/zinc/31/92/96/623319296.db2.gz HHSIXEWKLLXVOB-CYBMUJFWSA-N 0 0 323.742 3.181 20 10 DGCDRN C[N@H+](CCC(=O)OC(C)(C)C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775723569 623320090 /nfs/dbraw/zinc/32/00/90/623320090.db2.gz HREYWNVGAIOMGI-UHFFFAOYSA-N 0 0 317.788 3.348 20 10 DGCDRN C[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1n1ccnc1 ZINC000775738246 623322275 /nfs/dbraw/zinc/32/22/75/623322275.db2.gz XFUNCAWPVZPHIU-NHYWBVRUSA-N 0 0 323.799 3.464 20 10 DGCDRN CNC(=O)c1cccc(NCc2cc(Cl)cc(F)c2O)c1 ZINC000775750723 623325027 /nfs/dbraw/zinc/32/50/27/623325027.db2.gz SYOAMJBNECVAMU-UHFFFAOYSA-N 0 0 308.740 3.156 20 10 DGCDRN COc1cccnc1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775754915 623326131 /nfs/dbraw/zinc/32/61/31/623326131.db2.gz TVZYOTDKNDWZSH-LBPRGKRZSA-N 0 0 314.389 3.039 20 10 DGCDRN CCN(C(=O)/C=C\c1cnc(OC)nc1)c1ccc(Cl)cc1 ZINC000775782159 623331518 /nfs/dbraw/zinc/33/15/18/623331518.db2.gz CSBOBHJLROFWCT-WTKPLQERSA-N 0 0 317.776 3.205 20 10 DGCDRN CC(=O)Nc1nc(CN[C@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000775833792 623339782 /nfs/dbraw/zinc/33/97/82/623339782.db2.gz MHSOYWPXKDGJAX-LLVKDONJSA-N 0 0 318.446 3.018 20 10 DGCDRN CC(C)CC[C@@](C)(O)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776209560 623397113 /nfs/dbraw/zinc/39/71/13/623397113.db2.gz ZQIVNCOIFFIZRE-OAHLLOKOSA-N 0 0 303.805 3.462 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC1(CCO)CCCC1 ZINC000776220462 623399532 /nfs/dbraw/zinc/39/95/32/623399532.db2.gz NTGSNBZJPDNMER-UHFFFAOYSA-N 0 0 301.789 3.217 20 10 DGCDRN CCCCN(CCCO)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776243971 623401102 /nfs/dbraw/zinc/40/11/02/623401102.db2.gz DGVMQYJIMDBEEA-HNNXBMFYSA-N 0 0 321.465 3.008 20 10 DGCDRN CO[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000776240410 623401124 /nfs/dbraw/zinc/40/11/24/623401124.db2.gz VNXCJMHPXKSCNV-RHSMWYFYSA-N 0 0 319.449 3.024 20 10 DGCDRN COC(=O)c1cc2ccccc2c(CN2CCC(F)(F)C2)c1O ZINC000776292538 623407389 /nfs/dbraw/zinc/40/73/89/623407389.db2.gz MGQLDAJDNAHPEQ-UHFFFAOYSA-N 0 0 321.323 3.173 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000776295181 623408272 /nfs/dbraw/zinc/40/82/72/623408272.db2.gz LWWWYDINPWFXHA-QGZVFWFLSA-N 0 0 315.394 3.115 20 10 DGCDRN CCCCOc1cccc(CNC(=O)c2cccc(O)c2O)c1 ZINC000776336510 623413426 /nfs/dbraw/zinc/41/34/26/623413426.db2.gz SBMCADWZFPRPAK-UHFFFAOYSA-N 0 0 315.369 3.207 20 10 DGCDRN CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccc(O)c1O ZINC000776347262 623415114 /nfs/dbraw/zinc/41/51/14/623415114.db2.gz AGBFWNDORVVNDK-OAHLLOKOSA-N 0 0 317.360 3.234 20 10 DGCDRN Cc1cc(C)c2c(N)c(C(=O)OCCCCCCO)sc2n1 ZINC000776367579 623418186 /nfs/dbraw/zinc/41/81/86/623418186.db2.gz HLBUQNVTEGZNIU-UHFFFAOYSA-N 0 0 322.430 3.205 20 10 DGCDRN COc1cccc([C@@H](C)NC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000875129653 623419755 /nfs/dbraw/zinc/41/97/55/623419755.db2.gz USCSAMJZBDBATF-GFCCVEGCSA-N 0 0 312.369 3.187 20 10 DGCDRN C[C@@H](Cc1ccc(O)cc1)NC(=O)N[C@@H](C)c1ccccc1O ZINC000875143060 623421187 /nfs/dbraw/zinc/42/11/87/623421187.db2.gz HNRPTCOJEGLQET-STQMWFEESA-N 0 0 314.385 3.089 20 10 DGCDRN O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)N1Cc2cccc(O)c2C1 ZINC000875173816 623424489 /nfs/dbraw/zinc/42/44/89/623424489.db2.gz WRNLWPNJNNNNMS-GOEBONIOSA-N 0 0 312.344 3.113 20 10 DGCDRN C[C@@H](NC(=O)N[C@H]1CCc2ccccc2C1)c1ccccc1O ZINC000875192299 623425879 /nfs/dbraw/zinc/42/58/79/623425879.db2.gz QKUREHONWMASEU-CJNGLKHVSA-N 0 0 310.397 3.310 20 10 DGCDRN Cc1cccc2c1CC[C@@H]2NC(=O)N1Cc2cccc(O)c2C1 ZINC000875242180 623429964 /nfs/dbraw/zinc/42/99/64/623429964.db2.gz VGMZIXWYWCHGLM-KRWDZBQOSA-N 0 0 308.381 3.413 20 10 DGCDRN Cc1ccc2c(c1)[C@H](NC(=O)N1Cc3cccc(O)c3C1)CC2 ZINC000875251440 623431534 /nfs/dbraw/zinc/43/15/34/623431534.db2.gz RTDIZTSDSLZHQW-QGZVFWFLSA-N 0 0 308.381 3.413 20 10 DGCDRN COc1ccc(O)c(CN2C[C@H](C)Oc3ccc(OC)cc32)c1 ZINC000776522403 623437508 /nfs/dbraw/zinc/43/75/08/623437508.db2.gz ANUHAGJORIWHOA-LBPRGKRZSA-N 0 0 315.369 3.197 20 10 DGCDRN COC[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)c1ccc(C)o1 ZINC000875335020 623438364 /nfs/dbraw/zinc/43/83/64/623438364.db2.gz QIIBIBDFPLIAFZ-GXTWGEPZSA-N 0 0 318.373 3.042 20 10 DGCDRN CC(C)(CNC(=O)N1Cc2cccc(O)c2C1)[C@@H]1CCCCO1 ZINC000875375354 623443377 /nfs/dbraw/zinc/44/33/77/623443377.db2.gz VAXJCLPUSUKTAK-INIZCTEOSA-N 0 0 318.417 3.013 20 10 DGCDRN CCN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1 ZINC000776586540 623444360 /nfs/dbraw/zinc/44/43/60/623444360.db2.gz FVWUCRUXBFYIEO-QGZVFWFLSA-N 0 0 316.357 3.163 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1ccccc1O ZINC000875401561 623446402 /nfs/dbraw/zinc/44/64/02/623446402.db2.gz BXQOJAITHZMJRW-SZUHRMQMSA-N 0 0 322.408 3.481 20 10 DGCDRN O=C(NCC1(c2cccc(Cl)c2)CC1)c1cccc(O)c1O ZINC000776659678 623449464 /nfs/dbraw/zinc/44/94/64/623449464.db2.gz CLBLHCGQVGYCPO-UHFFFAOYSA-N 0 0 317.772 3.213 20 10 DGCDRN CC[C@@H](CC(F)(F)F)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875493651 623455677 /nfs/dbraw/zinc/45/56/77/623455677.db2.gz KMMSGXLSJRBTKA-JTQLQIEISA-N 0 0 302.296 3.148 20 10 DGCDRN C[C@H](NC(=O)N(C)Cc1ccns1)c1ccc(N(C)C)cc1 ZINC000875508017 623457552 /nfs/dbraw/zinc/45/75/52/623457552.db2.gz QOLRDWPAEQLYGH-LBPRGKRZSA-N 0 0 318.446 3.112 20 10 DGCDRN CC[C@H](CNC(=O)N1Cc2cccc(O)c2C1)CC(F)(F)F ZINC000875667247 623477312 /nfs/dbraw/zinc/47/73/12/623477312.db2.gz LXSCMIYRLAIWGQ-JTQLQIEISA-N 0 0 316.323 3.396 20 10 DGCDRN CN(C)c1ccc(CN[C@@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000125582208 623491591 /nfs/dbraw/zinc/49/15/91/623491591.db2.gz FSKSAKNESNZZBC-GOSISDBHSA-N 0 0 306.413 3.355 20 10 DGCDRN CCc1cc(O)ccc1NS(=O)(=O)c1ccccc1SC ZINC000790416109 625651051 /nfs/dbraw/zinc/65/10/51/625651051.db2.gz QFAMIDWJIFFIMP-UHFFFAOYSA-N 0 0 323.439 3.477 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCCC3(CC3)C2)cc1 ZINC000888691957 623523892 /nfs/dbraw/zinc/52/38/92/623523892.db2.gz QGMQPHZLTDXLRK-CYBMUJFWSA-N 0 0 300.362 3.302 20 10 DGCDRN C[C@H](NC(=O)N1Cc2cccc(O)c2C1)[C@@]12C[C@@H]1CCCC2 ZINC000876019304 623525265 /nfs/dbraw/zinc/52/52/65/623525265.db2.gz VJHURMOGAOJUID-XAYKYTGQSA-N 0 0 300.402 3.386 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCC(C)(C)OC ZINC000876080725 623540561 /nfs/dbraw/zinc/54/05/61/623540561.db2.gz LCJLHUOPUURXEG-UHFFFAOYSA-N 0 0 321.465 3.099 20 10 DGCDRN O=C(NCCOc1ccc2ccccc2c1)c1cccc(O)c1O ZINC000790486624 625660807 /nfs/dbraw/zinc/66/08/07/625660807.db2.gz XCMAKUOOCWXKPH-UHFFFAOYSA-N 0 0 323.348 3.060 20 10 DGCDRN CC[C@H]([NH2+]CC[C@@H](C)[S@@](C)=O)c1cccc(Cl)c1[O-] ZINC000806147981 623613922 /nfs/dbraw/zinc/61/39/22/623613922.db2.gz BRPSNXCNBWVZDV-KPGGICDASA-N 0 0 303.855 3.243 20 10 DGCDRN CC[C@H](C)CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000790512448 625663218 /nfs/dbraw/zinc/66/32/18/625663218.db2.gz AGVQKYFSVFMZFD-LSDHHAIUSA-N 0 0 304.434 3.137 20 10 DGCDRN O=C(Nc1ccnn1C1CCCCC1)c1cccc(O)c1O ZINC000790512387 625663230 /nfs/dbraw/zinc/66/32/30/625663230.db2.gz JQXIQUWWEOCAQL-UHFFFAOYSA-N 0 0 301.346 3.052 20 10 DGCDRN CC(C)(C(=O)NCc1c(O)ccc2c1CCCC2)c1cccnc1 ZINC000778389316 623650501 /nfs/dbraw/zinc/65/05/01/623650501.db2.gz GTOAYOGIDVQUPI-UHFFFAOYSA-N 0 0 324.424 3.260 20 10 DGCDRN Cc1cc(C(=O)N2CC[C@@H](C)[C@@H](F)C2)c(C)n1-c1ccccn1 ZINC000778466872 623659258 /nfs/dbraw/zinc/65/92/58/623659258.db2.gz IJALCKKRCBSBFE-WBMJQRKESA-N 0 0 315.392 3.309 20 10 DGCDRN O=C(N[C@H]1CCCOc2c(F)cccc21)C1=CC(=O)CS1 ZINC000778513407 623663109 /nfs/dbraw/zinc/66/31/09/623663109.db2.gz AXCJVQPHIXZDAK-LBPRGKRZSA-N 0 0 307.346 3.237 20 10 DGCDRN CCCN(Cc1ccc(N2CCC(O)CC2)cc1)CC(F)F ZINC000876657643 623672425 /nfs/dbraw/zinc/67/24/25/623672425.db2.gz QEBXTLODFQDJKU-UHFFFAOYSA-N 0 0 312.404 3.125 20 10 DGCDRN CC(C)COc1cccc(NC(=O)c2cccc(O)c2O)c1 ZINC000790552192 625669168 /nfs/dbraw/zinc/66/91/68/625669168.db2.gz WABRKODGGPJXMN-UHFFFAOYSA-N 0 0 301.342 3.385 20 10 DGCDRN [O-]c1c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)ccc(F)c1F ZINC000876807428 623710496 /nfs/dbraw/zinc/71/04/96/623710496.db2.gz DHOHSNVILXEOQE-OCCSQVGLSA-N 0 0 323.339 3.352 20 10 DGCDRN Cc1ccc2c(CC(=O)NCc3ccc(O)c(O)c3)coc2c1 ZINC000778918042 623711141 /nfs/dbraw/zinc/71/11/41/623711141.db2.gz DACJYIQTYDJEFF-UHFFFAOYSA-N 0 0 311.337 3.011 20 10 DGCDRN COc1cc2ccccc2cc1C(=O)NCc1ccc(O)c(O)c1 ZINC000778919777 623711229 /nfs/dbraw/zinc/71/12/29/623711229.db2.gz MBUWMTDCKISXCC-UHFFFAOYSA-N 0 0 323.348 3.190 20 10 DGCDRN CO[C@H](C)C(=O)Nc1cccc(NCc2c(C)cccc2O)c1 ZINC000876823600 623719473 /nfs/dbraw/zinc/71/94/73/623719473.db2.gz NTMGOYXKOIXRTI-CYBMUJFWSA-N 0 0 314.385 3.286 20 10 DGCDRN Cc1cccc(O)c1CNc1cccc(CN2CCOC2=O)c1 ZINC000876825703 623720418 /nfs/dbraw/zinc/72/04/18/623720418.db2.gz QHCHFSOQMKBXHS-UHFFFAOYSA-N 0 0 312.369 3.265 20 10 DGCDRN CCOC[C@H](C)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000779075288 623727674 /nfs/dbraw/zinc/72/76/74/623727674.db2.gz XPYHOLQMOVCGAA-DTWKUNHWSA-N 0 0 320.202 3.369 20 10 DGCDRN Cc1cccc(O)c1CNc1cccc(CN2CCOCC2)c1 ZINC000876851507 623727904 /nfs/dbraw/zinc/72/79/04/623727904.db2.gz KNUNJIFGCVULNB-UHFFFAOYSA-N 0 0 312.413 3.145 20 10 DGCDRN COc1ccc(C(=O)N(C)C)cc1NCc1ccc(C)cc1O ZINC000876849530 623727935 /nfs/dbraw/zinc/72/79/35/623727935.db2.gz SUINPWZXRWWPQP-UHFFFAOYSA-N 0 0 314.385 3.023 20 10 DGCDRN COC(=O)[C@H](NCc1cc(Cl)ccc1O)c1ccccc1F ZINC000779179705 623739464 /nfs/dbraw/zinc/73/94/64/623739464.db2.gz XOEGSILZEPOKFU-OAHLLOKOSA-N 0 0 323.751 3.189 20 10 DGCDRN CN(C)[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])c1ccsc1 ZINC000876911614 623743172 /nfs/dbraw/zinc/74/31/72/623743172.db2.gz IJFVKCLKJIYLCB-CYBMUJFWSA-N 0 0 312.385 3.124 20 10 DGCDRN CCc1nc(C)c(NC(=O)/C=C/c2ccc(O)c(O)c2)s1 ZINC000779308954 623758715 /nfs/dbraw/zinc/75/87/15/623758715.db2.gz GIQZECVYISDYOU-FNORWQNLSA-N 0 0 304.371 3.077 20 10 DGCDRN C[C@H]1CCN(C(=O)NCCCSc2nccs2)C[C@H]1F ZINC000779363498 623763373 /nfs/dbraw/zinc/76/33/73/623763373.db2.gz FVLMQYWLFXSTHW-WDEREUQCSA-N 0 0 317.455 3.015 20 10 DGCDRN Cc1cc(C(=O)NCCCSc2nccs2)ccc1O ZINC000779382174 623764877 /nfs/dbraw/zinc/76/48/77/623764877.db2.gz ZUTHFUYSTMFVRR-UHFFFAOYSA-N 0 0 308.428 3.069 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2cc[nH]c2n1 ZINC000779481179 623774033 /nfs/dbraw/zinc/77/40/33/623774033.db2.gz DRRGGIAOWOPNEC-UHFFFAOYSA-N 0 0 322.412 3.291 20 10 DGCDRN O=C([O-])C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000779491644 623775094 /nfs/dbraw/zinc/77/50/94/623775094.db2.gz RWPQODYQRFIZBG-KRWDZBQOSA-N 0 0 302.418 3.020 20 10 DGCDRN CCN(CCc1cccs1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779502468 623776034 /nfs/dbraw/zinc/77/60/34/623776034.db2.gz ZIQQRGMCYNMPDN-SOFGYWHQSA-N 0 0 317.410 3.264 20 10 DGCDRN C[C@@H](CCNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000779510759 623776035 /nfs/dbraw/zinc/77/60/35/623776035.db2.gz QSWUVWLZBCFVBR-PLWJUESGSA-N 0 0 311.381 3.421 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCc2ccc(F)cc21 ZINC000779513126 623776714 /nfs/dbraw/zinc/77/67/14/623776714.db2.gz DTJGPTLSYMBETO-SDHLOXDLSA-N 0 0 313.328 3.054 20 10 DGCDRN Cc1ccc2c(c1)N(C(=O)/C=C\c1ccc(O)c(O)c1)CCC2 ZINC000779515787 623776808 /nfs/dbraw/zinc/77/68/08/623776808.db2.gz BSVPJYBIRGZTSO-TWGQIWQCSA-N 0 0 309.365 3.399 20 10 DGCDRN CC(C)CC1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000779533118 623777457 /nfs/dbraw/zinc/77/74/57/623777457.db2.gz WLVBWFVNTIPWPQ-XQRVVYSFSA-N 0 0 303.402 3.396 20 10 DGCDRN Cc1c(C(=O)N(C)c2ccc(N)cc2)cnn1CCC(C)C ZINC000877076085 623784855 /nfs/dbraw/zinc/78/48/55/623784855.db2.gz LZEUIQNUYXKMPU-UHFFFAOYSA-N 0 0 300.406 3.096 20 10 DGCDRN CN(C(=O)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)c1ccc(N)cc1 ZINC000877074351 623784979 /nfs/dbraw/zinc/78/49/79/623784979.db2.gz HTEROGRAPJVZKT-IXDOHACOSA-N 0 0 312.800 3.471 20 10 DGCDRN CN(C(=O)c1ccc(C2CCOCC2)cc1)c1ccc(N)cc1 ZINC000877074923 623785236 /nfs/dbraw/zinc/78/52/36/623785236.db2.gz VGZWTLPIGFLQCR-UHFFFAOYSA-N 0 0 310.397 3.439 20 10 DGCDRN [O-]c1c(C[NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)ccc(F)c1F ZINC000877089453 623789018 /nfs/dbraw/zinc/78/90/18/623789018.db2.gz QAZGPFVZWZASSL-LZWOXQAQSA-N 0 0 301.336 3.346 20 10 DGCDRN COC(=O)c1cccc(NNC(=S)Nc2ccccc2C)c1 ZINC000779727724 623792257 /nfs/dbraw/zinc/79/22/57/623792257.db2.gz PGZOHIFEXNEZPC-UHFFFAOYSA-N 0 0 315.398 3.095 20 10 DGCDRN CC(C)n1cc(NCc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000877148045 623807527 /nfs/dbraw/zinc/80/75/27/623807527.db2.gz FDQUXGPOMIECNL-UHFFFAOYSA-N 0 0 314.433 3.037 20 10 DGCDRN CC/C(C)=C(/C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000779853450 623821555 /nfs/dbraw/zinc/82/15/55/623821555.db2.gz FQRGTPPQDVNQOH-NXVVXOECSA-N 0 0 316.445 3.480 20 10 DGCDRN CCOc1cccc(CNc2ccc3ccn(C)c(=O)c3c2)c1O ZINC000790637614 625680967 /nfs/dbraw/zinc/68/09/67/625680967.db2.gz JLXZNFDPRHDWBK-UHFFFAOYSA-N 0 0 324.380 3.255 20 10 DGCDRN C[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccc(C(F)(F)F)nc1 ZINC000877429939 623878072 /nfs/dbraw/zinc/87/80/72/623878072.db2.gz SRAOJPLUKOSWIG-SNVBAGLBSA-N 0 0 323.318 3.103 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCC=CO2)cc1 ZINC000780310429 623909887 /nfs/dbraw/zinc/90/98/87/623909887.db2.gz HOVYHURQGIXFAO-KRWDZBQOSA-N 0 0 317.433 3.025 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C1CC(n2cccn2)C1 ZINC000877529673 623925360 /nfs/dbraw/zinc/92/53/60/623925360.db2.gz KTVYVCAYHLMHFA-UHFFFAOYSA-N 0 0 312.200 3.389 20 10 DGCDRN COc1ncc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])s1 ZINC000877530347 623926977 /nfs/dbraw/zinc/92/69/77/623926977.db2.gz SQBJKNKNGQADCW-UHFFFAOYSA-N 0 0 319.213 3.454 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCC1CC(C)(C)C1 ZINC000780468094 623935961 /nfs/dbraw/zinc/93/59/61/623935961.db2.gz ILZVOEIGXLSFSY-UHFFFAOYSA-N 0 0 303.450 3.296 20 10 DGCDRN COc1cccc(CNC(=O)C(F)(F)c2ccc(C)cc2)c1O ZINC000780468797 623936054 /nfs/dbraw/zinc/93/60/54/623936054.db2.gz PXNMZGHNQFLBPS-UHFFFAOYSA-N 0 0 321.323 3.117 20 10 DGCDRN [O-]c1c(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)ccc(F)c1F ZINC000877563465 623943616 /nfs/dbraw/zinc/94/36/16/623943616.db2.gz NRSJGRJSIVPSOJ-YUELXQCFSA-N 0 0 311.372 3.186 20 10 DGCDRN [O-]c1c(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)ccc(F)c1F ZINC000877563462 623943660 /nfs/dbraw/zinc/94/36/60/623943660.db2.gz NRSJGRJSIVPSOJ-BPLDGKMQSA-N 0 0 311.372 3.186 20 10 DGCDRN O=C(Nc1ccnc(-c2ccccc2)c1)c1cccc(O)c1O ZINC000790702393 625688312 /nfs/dbraw/zinc/68/83/12/625688312.db2.gz YEYBCQMHHSRJQT-UHFFFAOYSA-N 0 0 306.321 3.412 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@](C)(O)c1ccccc1 ZINC000877610253 623961237 /nfs/dbraw/zinc/96/12/37/623961237.db2.gz MPJPRIZKIZMQIM-GTNSWQLSSA-N 0 0 307.340 3.056 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@](C)(O)c1ccccc1 ZINC000877610251 623961413 /nfs/dbraw/zinc/96/14/13/623961413.db2.gz MPJPRIZKIZMQIM-DIFFPNOSSA-N 0 0 307.340 3.056 20 10 DGCDRN C[C@@H](O)[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccccc1F ZINC000877611748 623962366 /nfs/dbraw/zinc/96/23/66/623962366.db2.gz ZAXYVPRNGBDDCP-PSLIRLAXSA-N 0 0 311.303 3.021 20 10 DGCDRN COc1ccc(N(C)Cc2cn3cccc(F)c3n2)cc1F ZINC000780779773 623982860 /nfs/dbraw/zinc/98/28/60/623982860.db2.gz XMVIQOGGPWJVFC-UHFFFAOYSA-N 0 0 303.312 3.258 20 10 DGCDRN C[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])CC1(C)OCCO1 ZINC000877670667 623985299 /nfs/dbraw/zinc/98/52/99/623985299.db2.gz UPUTWHDMQWVSGT-JTQLQIEISA-N 0 0 317.788 3.064 20 10 DGCDRN [O-]c1c(C[N@H+]2CC[C@H](O)C[C@H]2c2ccccc2)ccc(F)c1F ZINC000877673741 623987176 /nfs/dbraw/zinc/98/71/76/623987176.db2.gz QXVFGPQPHOLZKE-HOCLYGCPSA-N 0 0 319.351 3.368 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H](C)c2c(F)cccc2F)c(O)c1O ZINC000780877934 623993303 /nfs/dbraw/zinc/99/33/03/623993303.db2.gz LGGNQRYHEQLURR-VIFPVBQESA-N 0 0 307.296 3.175 20 10 DGCDRN Cc1ccc(C(=O)NC[C@@H](C)c2ccc(F)cc2)c(O)c1O ZINC000780907681 623996132 /nfs/dbraw/zinc/99/61/32/623996132.db2.gz VPOXAMZLOKGWEQ-LLVKDONJSA-N 0 0 303.333 3.079 20 10 DGCDRN COc1cc(Cl)cc(CN2Cc3cccc(O)c3C2)c1O ZINC000877702765 623997564 /nfs/dbraw/zinc/99/75/64/623997564.db2.gz HAZRTZWFAVBGPZ-UHFFFAOYSA-N 0 0 305.761 3.276 20 10 DGCDRN Cc1ccc(C(=O)NC[C@H](C)c2ccc(F)cc2F)c(O)c1O ZINC000780950927 624002663 /nfs/dbraw/zinc/00/26/63/624002663.db2.gz CNHSSTPBAIEPNE-JTQLQIEISA-N 0 0 321.323 3.218 20 10 DGCDRN CC/C(C)=C(\C)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000780966307 624005532 /nfs/dbraw/zinc/00/55/32/624005532.db2.gz ZFFUWPKPYARPES-BUHFOSPRSA-N 0 0 320.408 3.229 20 10 DGCDRN C[C@H](NC(=O)/C=C\c1cccc(O)c1)c1ccc(N(C)C)cc1 ZINC000781036179 624012285 /nfs/dbraw/zinc/01/22/85/624012285.db2.gz NVKJOHPAVXGLKQ-VDBIKXPHSA-N 0 0 310.397 3.349 20 10 DGCDRN CC(C)(O)C1CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000877753645 624019479 /nfs/dbraw/zinc/01/94/79/624019479.db2.gz ISXJJMIZEKVFAN-UHFFFAOYSA-N 0 0 301.789 3.168 20 10 DGCDRN COc1ccccc1[C@@H]1CN(Cc2cc(F)ccc2O)CCO1 ZINC000877754855 624020878 /nfs/dbraw/zinc/02/08/78/624020878.db2.gz VHOVCSPGTIMTGD-SFHVURJKSA-N 0 0 317.360 3.113 20 10 DGCDRN CCN(C(C)=O)c1nc(CN[C@@H](C)c2ccccc2O)cs1 ZINC000877757356 624023314 /nfs/dbraw/zinc/02/33/14/624023314.db2.gz SNEZPEUDRDCBAI-NSHDSACASA-N 0 0 319.430 3.072 20 10 DGCDRN COc1cc(O)c(CNc2ccc(N(C)C)c(F)c2)cc1OC ZINC000877773297 624031660 /nfs/dbraw/zinc/03/16/60/624031660.db2.gz LJURMDPMJXOYAC-UHFFFAOYSA-N 0 0 320.364 3.227 20 10 DGCDRN CC[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@H](O)c1ccccc1 ZINC000877832535 624061639 /nfs/dbraw/zinc/06/16/39/624061639.db2.gz NDQMUUKONVACEL-GDBMZVCRSA-N 0 0 307.340 3.272 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(C)cc(C)n2)c1 ZINC000126750437 624065962 /nfs/dbraw/zinc/06/59/62/624065962.db2.gz HPZPCJIYINXPEN-GFCCVEGCSA-N 0 0 315.373 3.295 20 10 DGCDRN Cc1cccc2c1N[C@H](c1cc(F)c(N(C)C)cc1F)NC2=O ZINC000877845715 624067218 /nfs/dbraw/zinc/06/72/18/624067218.db2.gz KUGMGAWXLCVRQS-INIZCTEOSA-N 0 0 317.339 3.193 20 10 DGCDRN Cc1ccc2c(c1)C(=O)N[C@@H](c1cc(F)c(N(C)C)cc1F)N2 ZINC000877863771 624073967 /nfs/dbraw/zinc/07/39/67/624073967.db2.gz TVGLHYBJFJNLHL-INIZCTEOSA-N 0 0 317.339 3.193 20 10 DGCDRN COc1ccc(N2CCN(C(=O)[C@@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000129587277 625697136 /nfs/dbraw/zinc/69/71/36/625697136.db2.gz PLPZOURDMXRLLM-JKSUJKDBSA-N 0 0 316.445 3.170 20 10 DGCDRN COc1ccc(NCc2cc(C)cc(Br)c2O)nc1 ZINC000781560326 624093294 /nfs/dbraw/zinc/09/32/94/624093294.db2.gz ZJXUZYDPYCHPMR-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN COCCC(C)(C)[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000781633480 624111766 /nfs/dbraw/zinc/11/17/66/624111766.db2.gz VSUBDUGTFKTINW-UHFFFAOYSA-N 0 0 316.239 3.368 20 10 DGCDRN Oc1cccc(Cl)c1CNc1ccc(-n2ccnn2)cc1 ZINC000126831600 624120278 /nfs/dbraw/zinc/12/02/78/624120278.db2.gz DUHGJSMBGHWDLF-UHFFFAOYSA-N 0 0 300.749 3.238 20 10 DGCDRN CCCC[N@H+](CCO)Cc1cc(C)cc(Br)c1[O-] ZINC000781895906 624166698 /nfs/dbraw/zinc/16/66/98/624166698.db2.gz YPIYVADCZZFNRX-UHFFFAOYSA-N 0 0 316.239 3.058 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1csc(Cl)n1 ZINC000781932509 624174378 /nfs/dbraw/zinc/17/43/78/624174378.db2.gz WFSQJEOAAQJUOG-UHFFFAOYSA-N 0 0 309.822 3.101 20 10 DGCDRN COc1ccc(N(C)C[C@H]2CCC3(CCOCC3)CO2)cc1F ZINC000878186506 624205941 /nfs/dbraw/zinc/20/59/41/624205941.db2.gz KERVCXLCDBQKMO-OAHLLOKOSA-N 0 0 323.408 3.246 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)CC[C@H](C)OC)cc1 ZINC000782209434 624220794 /nfs/dbraw/zinc/22/07/94/624220794.db2.gz FXZZNWGEGKGSCQ-HNNXBMFYSA-N 0 0 306.450 3.306 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2cnc3c(c2)CCCC3)cc1 ZINC000782257341 624228843 /nfs/dbraw/zinc/22/88/43/624228843.db2.gz HCUAIPHMAUTMJT-UHFFFAOYSA-N 0 0 324.428 3.348 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCc1cc(F)cc(F)c1 ZINC000782294878 624234570 /nfs/dbraw/zinc/23/45/70/624234570.db2.gz BNNNCTFWOGOUBE-RQOWECAXSA-N 0 0 306.264 3.133 20 10 DGCDRN C[C@@H](NC(=O)N1C[C@@H](C)O[C@@H](C)[C@H]1C)c1ccc(N(C)C)cc1 ZINC000782623519 624267991 /nfs/dbraw/zinc/26/79/91/624267991.db2.gz YKFUZKZFYZCFGS-TUVASFSCSA-N 0 0 319.449 3.021 20 10 DGCDRN C[C@H](NC(=O)c1cccc(O)c1O)c1c(F)cccc1Cl ZINC000790857816 625709367 /nfs/dbraw/zinc/70/93/67/625709367.db2.gz QTMPFQBFZFUTIY-QMMMGPOBSA-N 0 0 309.724 3.381 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCC(C)(C)O2)cc1 ZINC000782670547 624273003 /nfs/dbraw/zinc/27/30/03/624273003.db2.gz GNWDYKXTRPKUKA-MRXNPFEDSA-N 0 0 304.434 3.107 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1nnc(C2CC2)n1C1CC1 ZINC000782903815 624289431 /nfs/dbraw/zinc/28/94/31/624289431.db2.gz KJMQHDUHHOBZSD-UHFFFAOYSA-N 0 0 324.428 3.452 20 10 DGCDRN COc1ccc(N(C)Cc2c(C)cc(C)nc2OC)cc1OC ZINC000805739519 624308476 /nfs/dbraw/zinc/30/84/76/624308476.db2.gz XFAWHJONUJBWIS-UHFFFAOYSA-N 0 0 316.401 3.361 20 10 DGCDRN COc1cccc([C@@H](C)OC(=O)c2ccc(C)c(O)c2O)c1 ZINC000783345495 624338899 /nfs/dbraw/zinc/33/88/99/624338899.db2.gz SXTZDZFUXUWREH-LLVKDONJSA-N 0 0 302.326 3.333 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCCS1 ZINC000783384895 624342964 /nfs/dbraw/zinc/34/29/64/624342964.db2.gz FWUQJXQYXLJIQT-MRXNPFEDSA-N 0 0 306.475 3.387 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ncsc2C2CC2)c1 ZINC000878730427 624350026 /nfs/dbraw/zinc/35/00/26/624350026.db2.gz HKTBAQNBIAVDGM-VIFPVBQESA-N 0 0 318.398 3.226 20 10 DGCDRN CCOc1cc(Cl)ccc1CNC(=O)c1cccc(O)c1O ZINC000790903965 625714122 /nfs/dbraw/zinc/71/41/22/625714122.db2.gz QKCUTTJFGWQSTO-UHFFFAOYSA-N 0 0 321.760 3.080 20 10 DGCDRN O=C(NCCCSc1nccs1)c1ccnc(C2CC2)c1 ZINC000783577651 624369257 /nfs/dbraw/zinc/36/92/57/624369257.db2.gz WGWDJKAGEHCWJF-UHFFFAOYSA-N 0 0 319.455 3.328 20 10 DGCDRN CCc1ncc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)cn1 ZINC000127405596 624389165 /nfs/dbraw/zinc/38/91/65/624389165.db2.gz DJYMTWQPDIIBIP-UHFFFAOYSA-N 0 0 321.384 3.094 20 10 DGCDRN COc1cc(Cl)cc(CN2CCc3ncsc3C2)c1O ZINC000783746025 624390414 /nfs/dbraw/zinc/39/04/14/624390414.db2.gz URLABHPITJRXEJ-UHFFFAOYSA-N 0 0 310.806 3.069 20 10 DGCDRN C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000790934594 625717227 /nfs/dbraw/zinc/71/72/27/625717227.db2.gz NRZXYHORKYGJCC-MFKMUULPSA-N 0 0 301.789 3.310 20 10 DGCDRN Cc1ccc(C(=O)N[C@H](CC(F)(F)F)C(C)C)c(O)c1O ZINC000783870645 624402914 /nfs/dbraw/zinc/40/29/14/624402914.db2.gz YFOWKQBUTYUALB-SNVBAGLBSA-N 0 0 305.296 3.113 20 10 DGCDRN Cc1nc(NC(=O)NCc2ccc(N3CCCC3)cc2)cs1 ZINC000879021853 624409944 /nfs/dbraw/zinc/40/99/44/624409944.db2.gz XVGBZQFOHZQBHV-UHFFFAOYSA-N 0 0 316.430 3.373 20 10 DGCDRN C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000790934286 625718311 /nfs/dbraw/zinc/71/83/11/625718311.db2.gz JTQPVNNUOFFOIO-QWRGUYRKSA-N 0 0 301.789 3.310 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)C(C)(C)C(C)C)CC2)cc1 ZINC000784090757 624436386 /nfs/dbraw/zinc/43/63/86/624436386.db2.gz PUQJBMJDXJXPDW-UHFFFAOYSA-N 0 0 318.461 3.462 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@]2(C)CCO[C@@H]2C)cc1 ZINC000784243208 624461237 /nfs/dbraw/zinc/46/12/37/624461237.db2.gz WACDAYVWMDUHJY-DNVCBOLYSA-N 0 0 312.413 3.391 20 10 DGCDRN C[C@@H](NC(=O)Nc1ccnn1[C@@H](C)C1CC1)c1ccccc1O ZINC000879272321 624477434 /nfs/dbraw/zinc/47/74/34/624477434.db2.gz ACCDQYNXFGGBGA-NEPJUHHUSA-N 0 0 314.389 3.442 20 10 DGCDRN CC(C)(C(=O)OCC(=O)c1ccc(O)c(O)c1)C1CCCCC1 ZINC000784463476 624528802 /nfs/dbraw/zinc/52/88/02/624528802.db2.gz AXSTYEPDDLAXLG-UHFFFAOYSA-N 0 0 320.385 3.430 20 10 DGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@H]2CCCCS2)c1[O-] ZINC000784619336 624559327 /nfs/dbraw/zinc/55/93/27/624559327.db2.gz ZJXFZPKPBWWNOA-LLVKDONJSA-N 0 0 316.810 3.329 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)C1CCC1 ZINC000127779743 624561456 /nfs/dbraw/zinc/56/14/56/624561456.db2.gz FFIAGTBEYPABSU-CQSZACIVSA-N 0 0 303.450 3.473 20 10 DGCDRN C[C@@H](NC(=O)Nc1cnc(CC2CC2)nc1)c1ccccc1O ZINC000879519575 624575751 /nfs/dbraw/zinc/57/57/51/624575751.db2.gz VWTBQKIAOOUJEN-LLVKDONJSA-N 0 0 312.373 3.017 20 10 DGCDRN O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(O)c1O ZINC000784789180 624581848 /nfs/dbraw/zinc/58/18/48/624581848.db2.gz ZLKLXTLIVABCNK-UHFFFAOYSA-N 0 0 323.688 3.016 20 10 DGCDRN CCS[C@H](C)c1noc(CN[C@H](C)c2ccccc2O)n1 ZINC000879648610 624621009 /nfs/dbraw/zinc/62/10/09/624621009.db2.gz WGIXGMFBBCWMIG-GHMZBOCLSA-N 0 0 307.419 3.440 20 10 DGCDRN C[C@H](N[C@@H](C)c1ccccc1O)c1nnnn1C1CCCCC1 ZINC000879650450 624624563 /nfs/dbraw/zinc/62/45/63/624624563.db2.gz ALHNYWBWHKSHDM-STQMWFEESA-N 0 0 315.421 3.296 20 10 DGCDRN Cc1cc(O)c(CNc2ccc3ccc(=O)n(C)c3c2)cc1C ZINC000785537360 624683005 /nfs/dbraw/zinc/68/30/05/624683005.db2.gz QWOUNSWQZWNIPF-UHFFFAOYSA-N 0 0 308.381 3.473 20 10 DGCDRN CN(C)c1ccc(CNC2(C(=O)OC(C)(C)C)CCCC2)cc1 ZINC000785754605 624725029 /nfs/dbraw/zinc/72/50/29/624725029.db2.gz DOXUBLIHGQJWQM-UHFFFAOYSA-N 0 0 318.461 3.497 20 10 DGCDRN CC[C@H]([NH2+]CC[C@@H](O)COC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806149758 624750667 /nfs/dbraw/zinc/75/06/67/624750667.db2.gz HHJGOHGNMCLDGM-MFKMUULPSA-N 0 0 322.232 3.137 20 10 DGCDRN Cc1cc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)nc(C)n1 ZINC000880303457 624904138 /nfs/dbraw/zinc/90/41/38/624904138.db2.gz ODNFEAYBKPJLOS-LBPRGKRZSA-N 0 0 313.405 3.042 20 10 DGCDRN CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000786574833 624923586 /nfs/dbraw/zinc/92/35/86/624923586.db2.gz GQQRLOJFGBESKX-CIUDSAMLSA-N 0 0 320.202 3.368 20 10 DGCDRN C[C@H]1CCCC[C@@H]1N(C)C(=O)COc1ccc(N(C)C)cc1 ZINC000786876307 624960049 /nfs/dbraw/zinc/96/00/49/624960049.db2.gz KWSWXNPTIQQANP-YOEHRIQHSA-N 0 0 304.434 3.169 20 10 DGCDRN Cc1sccc1CC(=O)NCCCSc1nccs1 ZINC000786976215 624969504 /nfs/dbraw/zinc/96/95/04/624969504.db2.gz VCZOQLLEYCIGGX-UHFFFAOYSA-N 0 0 312.485 3.354 20 10 DGCDRN CCn1ncc(C(=O)NCc2cc(Cl)ccc2O)c1C1CC1 ZINC000880540431 624974479 /nfs/dbraw/zinc/97/44/79/624974479.db2.gz ZTFBWKXFTIESTA-UHFFFAOYSA-N 0 0 319.792 3.069 20 10 DGCDRN CC1(C)CC[C@H](CC(=O)NCc2cc(Cl)ccc2O)OC1 ZINC000880539863 624974507 /nfs/dbraw/zinc/97/45/07/624974507.db2.gz KDPDJWGCNGNPEQ-CYBMUJFWSA-N 0 0 311.809 3.257 20 10 DGCDRN CCOCCC1(C(=O)N[C@H](C)c2cc(OC)ccc2O)CCC1 ZINC000128657518 625075447 /nfs/dbraw/zinc/07/54/47/625075447.db2.gz LIXWIYAPIURXBO-CYBMUJFWSA-N 0 0 321.417 3.175 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCSC(C)(C)CC2)cc1 ZINC000788542575 625212297 /nfs/dbraw/zinc/21/22/97/625212297.db2.gz OLSSZLVGLKTKHW-UHFFFAOYSA-N 0 0 321.490 3.180 20 10 DGCDRN CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788590849 625221613 /nfs/dbraw/zinc/22/16/13/625221613.db2.gz HBEZBEANPYSSOV-OPQQBVKSSA-N 0 0 305.340 3.469 20 10 DGCDRN C=C/C(C)=C\CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000788655293 625237130 /nfs/dbraw/zinc/23/71/30/625237130.db2.gz QGJQLDCKCXZYDL-MJSCBBHESA-N 0 0 315.413 3.422 20 10 DGCDRN COCCOC[C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788666752 625238342 /nfs/dbraw/zinc/23/83/42/625238342.db2.gz SKVZDPZAYFFOOF-QWRGUYRKSA-N 0 0 321.339 3.113 20 10 DGCDRN C[C@@H](CO)CCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788685103 625243419 /nfs/dbraw/zinc/24/34/19/625243419.db2.gz GQCUBBBQKHNXEU-GHMZBOCLSA-N 0 0 305.340 3.470 20 10 DGCDRN C/C=C/C[C@H](CO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788756237 625259586 /nfs/dbraw/zinc/25/95/86/625259586.db2.gz VPDNRTVSSDMBPT-YIZUVKHSSA-N 0 0 303.324 3.389 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1CCCOC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788777021 625265282 /nfs/dbraw/zinc/26/52/82/625265282.db2.gz RVBSYBJTGSJRGF-GHMZBOCLSA-N 0 0 303.324 3.488 20 10 DGCDRN CNC(=O)c1cccc(NCc2c(O)ccc(Cl)c2F)c1C ZINC000790950810 625722266 /nfs/dbraw/zinc/72/22/66/625722266.db2.gz FNPWHGVBDSLKQE-UHFFFAOYSA-N 0 0 322.767 3.465 20 10 DGCDRN C[C@H](COCC(F)(F)F)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790961908 625722760 /nfs/dbraw/zinc/72/27/60/625722760.db2.gz DOYZIWVZIYJUNH-SSDOTTSWSA-N 0 0 315.694 3.242 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCCc1nccs1 ZINC000790966809 625725045 /nfs/dbraw/zinc/72/50/45/625725045.db2.gz NPQCXMPQURWETK-UHFFFAOYSA-N 0 0 300.786 3.364 20 10 DGCDRN Cn1nc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)c2ccccc21 ZINC000790986647 625731071 /nfs/dbraw/zinc/73/10/71/625731071.db2.gz RYMFCYLBFGSUPZ-UHFFFAOYSA-N 0 0 319.767 3.361 20 10 DGCDRN C[C@@]1(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CCO[C@@H]1C1CC1 ZINC000790990916 625732643 /nfs/dbraw/zinc/73/26/43/625732643.db2.gz NIYHYKLIBAZOLH-CVEARBPZSA-N 0 0 313.800 3.480 20 10 DGCDRN O=C(/C=C/c1cncc(O)c1)N1CC2(CCC2)c2ccccc21 ZINC000791023452 625740186 /nfs/dbraw/zinc/74/01/86/625740186.db2.gz LMHMZWBBNYTVTD-VOTSOKGWSA-N 0 0 306.365 3.269 20 10 DGCDRN COC/C=C/C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000791338926 625780458 /nfs/dbraw/zinc/78/04/58/625780458.db2.gz FOSGEFHGWDBFNX-RMKNXTFCSA-N 0 0 316.445 3.274 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2C[C@H](C)O[C@@H](C3CC3)C2)c1O ZINC000791560426 625824207 /nfs/dbraw/zinc/82/42/07/625824207.db2.gz VYBPPLHZWBLOOR-MGPLVRAMSA-N 0 0 323.820 3.248 20 10 DGCDRN O=C1/C(=C\c2ccccc2F)SC(=S)N1Cc1ccon1 ZINC000130340360 625840027 /nfs/dbraw/zinc/84/00/27/625840027.db2.gz PBDNWTMUIZDKAH-KPKJPENVSA-N 0 0 320.370 3.215 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000882887604 625846960 /nfs/dbraw/zinc/84/69/60/625846960.db2.gz AGRACLHLGKJBFY-CYBMUJFWSA-N 0 0 318.367 3.287 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000883051066 625910570 /nfs/dbraw/zinc/91/05/70/625910570.db2.gz MJQAWIDAICGBJI-UHFFFAOYSA-N 0 0 319.307 3.178 20 10 DGCDRN Oc1c(F)cc(F)cc1CNc1ccc(N2CCCC2)nc1 ZINC000883071910 625916423 /nfs/dbraw/zinc/91/64/23/625916423.db2.gz QWWOAHJMCLKCPO-UHFFFAOYSA-N 0 0 305.328 3.278 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000883076298 625917009 /nfs/dbraw/zinc/91/70/09/625917009.db2.gz ZJFLPMLJBJPHRV-APHBMKBZSA-N 0 0 309.356 3.108 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000792166312 625918724 /nfs/dbraw/zinc/91/87/24/625918724.db2.gz VAJCYSUNEFEGTP-NSHDSACASA-N 0 0 309.772 3.218 20 10 DGCDRN CC(C)N(C)c1ccc(CN(C)c2ccc3c(c2)OCO3)cn1 ZINC000792173331 625919635 /nfs/dbraw/zinc/91/96/35/625919635.db2.gz AKENESFLOMBKRA-UHFFFAOYSA-N 0 0 313.401 3.291 20 10 DGCDRN COC[C@H]1CCCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792175666 625920977 /nfs/dbraw/zinc/92/09/77/625920977.db2.gz XOKYGTNCZZDMPQ-NSHDSACASA-N 0 0 301.789 3.433 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)c2ccsc2)c1 ZINC000131084550 625942724 /nfs/dbraw/zinc/94/27/24/625942724.db2.gz CKDPXXBOJTZJHY-QWRGUYRKSA-N 0 0 305.399 3.443 20 10 DGCDRN CC[C@H](C)n1ncc(NC(=O)NCc2ccccc2O)c1C ZINC000792477468 625948953 /nfs/dbraw/zinc/94/89/53/625948953.db2.gz AXBLFWIZLJYSOI-NSHDSACASA-N 0 0 302.378 3.190 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1nnc(-c2ccco2)o1 ZINC000796304948 626037206 /nfs/dbraw/zinc/03/72/06/626037206.db2.gz DQLYAANCAKBCGT-UHFFFAOYSA-N 0 0 311.341 3.291 20 10 DGCDRN COc1ccc(N(CCC(C)C)Cc2nnnn2C2CC2)cc1 ZINC000796502771 626056692 /nfs/dbraw/zinc/05/66/92/626056692.db2.gz DNZLYPBICCQHPW-UHFFFAOYSA-N 0 0 315.421 3.069 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cccnc1N(C)C)c1ccc(F)cc1[O-] ZINC000796691814 626073596 /nfs/dbraw/zinc/07/35/96/626073596.db2.gz DWEALQMLINPYFS-OAHLLOKOSA-N 0 0 303.381 3.233 20 10 DGCDRN CC[C@@H]([NH2+]Cc1ccc(C(=O)NC)cc1)c1ccc(F)cc1[O-] ZINC000796696809 626074064 /nfs/dbraw/zinc/07/40/64/626074064.db2.gz TVBUTBAFJYDGJZ-MRXNPFEDSA-N 0 0 316.376 3.132 20 10 DGCDRN CC[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccc(F)cc1[O-] ZINC000796837323 626088079 /nfs/dbraw/zinc/08/80/79/626088079.db2.gz WOFGEKQBNWATDA-HOCLYGCPSA-N 0 0 323.408 3.300 20 10 DGCDRN CC[C@H]([NH2+][C@@H](CO)Cc1ccccc1C)c1ccc(F)cc1[O-] ZINC000796959206 626099830 /nfs/dbraw/zinc/09/98/30/626099830.db2.gz LVPHIPBKPZRZGX-AEFFLSMTSA-N 0 0 317.404 3.484 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](CO)Cc1cccc(C)c1)c1ccc(F)cc1[O-] ZINC000796959507 626099999 /nfs/dbraw/zinc/09/99/99/626099999.db2.gz QPXCLMKEDKORHZ-SJLPKXTDSA-N 0 0 317.404 3.484 20 10 DGCDRN COC(=O)/C=C/c1ccc(N2CC(C)=C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000797438742 626142722 /nfs/dbraw/zinc/14/27/22/626142722.db2.gz HGXZKRQHQYCGHG-HOSRBBHYSA-N 0 0 316.357 3.183 20 10 DGCDRN COc1cccnc1CNC(=S)Nc1ccc(C)c(C)c1 ZINC000840826446 626154875 /nfs/dbraw/zinc/15/48/75/626154875.db2.gz XRGQPEIXOOJOBZ-UHFFFAOYSA-N 0 0 301.415 3.194 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2CS[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000839829429 626158317 /nfs/dbraw/zinc/15/83/17/626158317.db2.gz HMHIQRIUNOSONL-OCCSQVGLSA-N 0 0 315.442 3.113 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000798023155 626190006 /nfs/dbraw/zinc/19/00/06/626190006.db2.gz HTDVFBIFSBXYBE-RNEQHYDGSA-N 0 0 309.365 3.173 20 10 DGCDRN C[C@H]([NH2+]CCCn1cccn1)c1cccc(C(F)(F)F)c1[O-] ZINC000798181783 626200499 /nfs/dbraw/zinc/20/04/99/626200499.db2.gz ZDYJAXRNLRLFOQ-NSHDSACASA-N 0 0 313.323 3.348 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CCCC[C@H]1O ZINC000798284905 626207779 /nfs/dbraw/zinc/20/77/79/626207779.db2.gz MDIHWWQIIYKFQQ-FUHWJXTLSA-N 0 0 318.461 3.042 20 10 DGCDRN CCC(C)(C)N(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000798433276 626218169 /nfs/dbraw/zinc/21/81/69/626218169.db2.gz BCMOHTPZSLRAMZ-UHFFFAOYSA-N 0 0 303.450 3.399 20 10 DGCDRN CSCCCN(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000798460403 626219032 /nfs/dbraw/zinc/21/90/32/626219032.db2.gz VMLNYZYSIGGZJF-ZDUSSCGKSA-N 0 0 309.479 3.208 20 10 DGCDRN O=C1CCN1c1ccc(NCc2cc(Cl)ccc2O)cc1 ZINC000798501602 626221659 /nfs/dbraw/zinc/22/16/59/626221659.db2.gz FAGVDCBTHVQLMN-UHFFFAOYSA-N 0 0 302.761 3.394 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CCC[C@@H]2C)c1 ZINC000798510121 626222530 /nfs/dbraw/zinc/22/25/30/626222530.db2.gz KNBMVUFJFWQBLM-RWMBFGLXSA-N 0 0 306.406 3.197 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCCCCC1CCOCC1 ZINC000798636969 626233883 /nfs/dbraw/zinc/23/38/83/626233883.db2.gz BSYPLXJZZNPPAX-ALCCZGGFSA-N 0 0 320.385 3.251 20 10 DGCDRN Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)ccn1C ZINC000798924404 626259914 /nfs/dbraw/zinc/25/99/14/626259914.db2.gz WEBIUFXWWLCPTM-UHFFFAOYSA-N 0 0 313.445 3.450 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](CO)CC1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000798937659 626261314 /nfs/dbraw/zinc/26/13/14/626261314.db2.gz NQOKREGYVSCXTF-JSGCOSHPSA-N 0 0 322.405 3.140 20 10 DGCDRN CC[C@H]([NH2+][C@@H](CO)CCOC)c1ccc(Cl)c(Cl)c1[O-] ZINC000798940882 626261336 /nfs/dbraw/zinc/26/13/36/626261336.db2.gz OKAKTJJJZUMNOT-SKDRFNHKSA-N 0 0 322.232 3.137 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1cc(Cl)ccc1O ZINC000798938241 626261480 /nfs/dbraw/zinc/26/14/80/626261480.db2.gz ZUXILDJFWSQFPH-SMDDNHRTSA-N 0 0 310.825 3.097 20 10 DGCDRN COc1ccc(N(C)Cc2cn(C(C)C)nc2C)cc1OC ZINC000798952016 626261713 /nfs/dbraw/zinc/26/17/13/626261713.db2.gz QNSKNVPNNQSDQX-UHFFFAOYSA-N 0 0 303.406 3.426 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1ncnn1-c1ccccc1 ZINC000799111473 626272400 /nfs/dbraw/zinc/27/24/00/626272400.db2.gz DUIJDYHVYYHZAZ-UHFFFAOYSA-N 0 0 320.396 3.229 20 10 DGCDRN CN(C)c1ccc(CN(Cc2cnc(Cl)cn2)C2CC2)cc1 ZINC000799113675 626272913 /nfs/dbraw/zinc/27/29/13/626272913.db2.gz JOYKPEVFOFRNGK-UHFFFAOYSA-N 0 0 316.836 3.361 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H](CCO)Cc1ccccc1 ZINC000799350644 626294271 /nfs/dbraw/zinc/29/42/71/626294271.db2.gz WQJFVYORIQGMNX-CYBMUJFWSA-N 0 0 323.795 3.268 20 10 DGCDRN CO[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000799371880 626296683 /nfs/dbraw/zinc/29/66/83/626296683.db2.gz HCKBTFHJOOGHJR-GJZGRUSLSA-N 0 0 311.809 3.295 20 10 DGCDRN COCC1(COC(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 ZINC000799668210 626319477 /nfs/dbraw/zinc/31/94/77/626319477.db2.gz FHFKWJHBQNGQMU-UHFFFAOYSA-N 0 0 314.385 3.073 20 10 DGCDRN C[C@@H]([NH2+][C@H](CCO)Cc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000799732130 626326007 /nfs/dbraw/zinc/32/60/07/626326007.db2.gz VKAAVDOJNYLGSX-IUODEOHRSA-N 0 0 321.367 3.315 20 10 DGCDRN Cn1c(=O)[nH]c2ccc(NCc3cc(Cl)ccc3O)cc21 ZINC000799740073 626326801 /nfs/dbraw/zinc/32/68/01/626326801.db2.gz IKSHAFDEJKJBPT-UHFFFAOYSA-N 0 0 303.749 3.250 20 10 DGCDRN CC1(C)CN(C(=O)C2=CC(=O)CS2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000799852251 626331131 /nfs/dbraw/zinc/33/11/31/626331131.db2.gz TZSKNHZQWMLQDS-PEBVRCNWSA-N 0 0 321.442 3.264 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1O[C@H](C)C[C@H]1C ZINC000799881388 626333075 /nfs/dbraw/zinc/33/30/75/626333075.db2.gz LNWAJYMVMQWBOV-IIDMSEBBSA-N 0 0 318.461 3.303 20 10 DGCDRN Cc1nnc(Sc2ncc([N+](=O)[O-])s2)n1-c1ccccc1 ZINC000799927169 626336360 /nfs/dbraw/zinc/33/63/60/626336360.db2.gz SMNOCZFPSCNRSV-UHFFFAOYSA-N 0 0 319.371 3.092 20 10 DGCDRN CCSCCCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000799976376 626339649 /nfs/dbraw/zinc/33/96/49/626339649.db2.gz XDUZQOQZPPGMFV-CYBMUJFWSA-N 0 0 309.479 3.256 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCc2cccc3[nH]ccc32)c1 ZINC000800295241 626349376 /nfs/dbraw/zinc/34/93/76/626349376.db2.gz DFSJAUFXVRBTDT-UHFFFAOYSA-N 0 0 311.341 3.114 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2O[C@H](C)C[C@H]2C)cc1F ZINC000800331571 626352026 /nfs/dbraw/zinc/35/20/26/626352026.db2.gz YNSSFUHJAUJNCN-PBFPGSCMSA-N 0 0 322.424 3.102 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCC(F)(F)C2)c1 ZINC000800519785 626366061 /nfs/dbraw/zinc/36/60/61/626366061.db2.gz VNNNTAZDOCPPBC-MNOVXSKESA-N 0 0 313.344 3.404 20 10 DGCDRN COc1cc(O)c(CN2CCCC[C@@H]2C(F)F)cc1OC ZINC000800533037 626366363 /nfs/dbraw/zinc/36/63/63/626366363.db2.gz DZTYEGIVPKMGAA-LLVKDONJSA-N 0 0 301.333 3.029 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1CC=CCC1 ZINC000839914133 626369568 /nfs/dbraw/zinc/36/95/68/626369568.db2.gz QUTISUHVBWZUNB-HZPDHXFCSA-N 0 0 300.446 3.465 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1Cc2ccccc21 ZINC000839918448 626371399 /nfs/dbraw/zinc/37/13/99/626371399.db2.gz MDAGRGXZDKWSQB-QRWLVFNGSA-N 0 0 322.452 3.448 20 10 DGCDRN CC[C@H](SC)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839920081 626373299 /nfs/dbraw/zinc/37/32/99/626373299.db2.gz KKOUUYJOKDPTEQ-CJNGLKHVSA-N 0 0 308.491 3.250 20 10 DGCDRN Cc1nc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c(C)o1 ZINC000839921837 626374109 /nfs/dbraw/zinc/37/41/09/626374109.db2.gz NNHYKCVUWLANAD-LBPRGKRZSA-N 0 0 315.417 3.027 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)[C@H]2C[C@@H]2C(F)F)C2CC2)cc1 ZINC000800831711 626378082 /nfs/dbraw/zinc/37/80/82/626378082.db2.gz YTYCIXROCYEGCF-GJZGRUSLSA-N 0 0 308.372 3.145 20 10 DGCDRN CO[C@@H](C)c1nsc(NCc2ccc(N(C)C)cc2C)n1 ZINC000800852343 626379078 /nfs/dbraw/zinc/37/90/78/626379078.db2.gz GQUHXTCGCSWPPI-NSHDSACASA-N 0 0 306.435 3.232 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1ccnn1CC ZINC000801644313 626413004 /nfs/dbraw/zinc/41/30/04/626413004.db2.gz WATYSMPYKFQCPM-UHFFFAOYSA-N 0 0 316.405 3.443 20 10 DGCDRN CCc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000801928207 626426370 /nfs/dbraw/zinc/42/63/70/626426370.db2.gz NAASHDBJNRQXOO-JKSUJKDBSA-N 0 0 311.381 3.080 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000802262476 626439115 /nfs/dbraw/zinc/43/91/15/626439115.db2.gz RRTCZYRWJLVSCE-WKILWMFISA-N 0 0 320.433 3.007 20 10 DGCDRN O=C(Nc1c[nH]nc1-c1ccccc1F)C1=CC(=O)CS1 ZINC000802626141 626564179 /nfs/dbraw/zinc/56/41/79/626564179.db2.gz KYMSDQFOAJRKGD-UHFFFAOYSA-N 0 0 303.318 3.235 20 10 DGCDRN COc1cccc(CNC(=O)Cc2coc3ccccc23)c1O ZINC000802781562 626571369 /nfs/dbraw/zinc/57/13/69/626571369.db2.gz DESIMFBTAZPBAF-UHFFFAOYSA-N 0 0 311.337 3.006 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2ccc3nccc(C)c3c2)c1 ZINC000802783179 626571570 /nfs/dbraw/zinc/57/15/70/626571570.db2.gz HQJFWZFQYIDHIK-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN Cc1oc(C(C)C)cc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000803090161 626594059 /nfs/dbraw/zinc/59/40/59/626594059.db2.gz WCXMMEIKTLCBDY-LLVKDONJSA-N 0 0 317.385 3.484 20 10 DGCDRN Cc1cncc(/C=C/C(=O)N2CCN(C)c3ccc(F)cc32)c1 ZINC000131316123 626623529 /nfs/dbraw/zinc/62/35/29/626623529.db2.gz HRECHVNSCKSDQE-ZZXKWVIFSA-N 0 0 311.360 3.025 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCOC1 ZINC000883351570 626656641 /nfs/dbraw/zinc/65/66/41/626656641.db2.gz ICTINGFWERSTQQ-ZOWXZIJZSA-N 0 0 308.378 3.156 20 10 DGCDRN Cc1ccc(C(=O)N2CCc3cc(Cl)ccc32)c(O)c1O ZINC000804345896 626671738 /nfs/dbraw/zinc/67/17/38/626671738.db2.gz FPVPDLOMINMGBI-UHFFFAOYSA-N 0 0 303.745 3.263 20 10 DGCDRN C[C@@H](N[C@H](C)C(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000883399340 626672970 /nfs/dbraw/zinc/67/29/70/626672970.db2.gz JXXXADCTCILJNW-GHMZBOCLSA-N 0 0 318.795 3.481 20 10 DGCDRN COc1cccc(CNc2ncccc2Br)c1O ZINC000804423835 626678458 /nfs/dbraw/zinc/67/84/58/626678458.db2.gz AFQCGGQMIVTRQI-UHFFFAOYSA-N 0 0 309.163 3.170 20 10 DGCDRN CC[C@@H]([NH2+]CCN1CCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806148201 626702288 /nfs/dbraw/zinc/70/22/88/626702288.db2.gz DOBZXJHAKBFTBV-CYBMUJFWSA-N 0 0 303.233 3.445 20 10 DGCDRN COc1ccc(C2CC2)cc1CNC(=O)Nc1ccc(N)cc1 ZINC000883569832 626706642 /nfs/dbraw/zinc/70/66/42/626706642.db2.gz KPBICGHNBFXSBT-UHFFFAOYSA-N 0 0 311.385 3.477 20 10 DGCDRN CC[C@H]([NH2+]Cc1cnnn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000806659994 626729237 /nfs/dbraw/zinc/72/92/37/626729237.db2.gz MFLQWJDRZYPKQF-NSHDSACASA-N 0 0 315.204 3.068 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)C(C)(C)C3CC3)CC2)cc1 ZINC000806747059 626732318 /nfs/dbraw/zinc/73/23/18/626732318.db2.gz OXBJNEYMIZBHNB-UHFFFAOYSA-N 0 0 316.445 3.216 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1CCCC1(F)F)c1ccc(N(C)C)cc1 ZINC000807139822 626747457 /nfs/dbraw/zinc/74/74/57/626747457.db2.gz IJFSILBDZDPHLV-BXUZGUMPSA-N 0 0 311.376 3.301 20 10 DGCDRN C[C@@H](NC(=O)c1ccnc2ccncc21)c1ccc(N(C)C)cc1 ZINC000807274207 626752511 /nfs/dbraw/zinc/75/25/11/626752511.db2.gz LETMCMSMQFMHAA-CYBMUJFWSA-N 0 0 320.396 3.187 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCCC[C@@H]2C(F)F)cc1 ZINC000800007685 626791194 /nfs/dbraw/zinc/79/11/94/626791194.db2.gz JMRCKGGSCMSTIM-CQSZACIVSA-N 0 0 311.376 3.082 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(F)cc1F ZINC000808093291 626791790 /nfs/dbraw/zinc/79/17/90/626791790.db2.gz MBLUULPGKPTLRF-UHFFFAOYSA-N 0 0 312.312 3.086 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc2c(s1)CCC2 ZINC000808094618 626792596 /nfs/dbraw/zinc/79/25/96/626792596.db2.gz AQAZFXUUZIIDRK-UHFFFAOYSA-N 0 0 322.426 3.358 20 10 DGCDRN COCCC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000800048556 626798573 /nfs/dbraw/zinc/79/85/73/626798573.db2.gz FACGZJPVKSZJQF-ZDUSSCGKSA-N 0 0 324.852 3.229 20 10 DGCDRN COc1cccc(O)c1CN[C@@H](C)c1nccn1-c1ccccc1 ZINC000808428796 626823095 /nfs/dbraw/zinc/82/30/95/626823095.db2.gz PRQORTZVMAWAFZ-AWEZNQCLSA-N 0 0 323.396 3.437 20 10 DGCDRN C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1O ZINC000133792753 626838993 /nfs/dbraw/zinc/83/89/93/626838993.db2.gz QZVKHVPRVMCJDO-NSHDSACASA-N 0 0 305.761 3.129 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2ncsc2C(C)C)c1 ZINC000808914388 626872362 /nfs/dbraw/zinc/87/23/62/626872362.db2.gz IHGNCGLXQZAYGB-UHFFFAOYSA-N 0 0 321.402 3.302 20 10 DGCDRN CC(C)(C)NC(=O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000134591834 626882255 /nfs/dbraw/zinc/88/22/55/626882255.db2.gz YSCMOMQWWOZIDU-UHFFFAOYSA-N 0 0 319.232 3.093 20 10 DGCDRN COc1ccc(O)c(CN2C[C@H](C)CN(C)c3ccccc32)c1 ZINC000809664944 626934718 /nfs/dbraw/zinc/93/47/18/626934718.db2.gz MIQQVXYMHYZRET-CQSZACIVSA-N 0 0 312.413 3.493 20 10 DGCDRN CNC(=O)Nc1cc(NCc2cccc(C)c2O)ccc1F ZINC000809699779 626938031 /nfs/dbraw/zinc/93/80/31/626938031.db2.gz WKIBARYSVMMXHX-UHFFFAOYSA-N 0 0 303.337 3.203 20 10 DGCDRN CC[C@@H]1CN(Cc2cc(Cl)cc(C)c2O)C[C@H](C)[S@@]1=O ZINC000809700121 626938579 /nfs/dbraw/zinc/93/85/79/626938579.db2.gz XVLDTHDGWDOUHA-CJAGKMTESA-N 0 0 315.866 3.085 20 10 DGCDRN CCOc1ccc(CN2CCCC[C@@H]2c2nc(C)no2)c(O)c1 ZINC000809718652 626941232 /nfs/dbraw/zinc/94/12/32/626941232.db2.gz MMCMBYJVVGXWCC-OAHLLOKOSA-N 0 0 317.389 3.210 20 10 DGCDRN CCN(CCC[NH+]1CCCC1)Cc1c([O-])ccc(Cl)c1F ZINC000809749814 626946757 /nfs/dbraw/zinc/94/67/57/626946757.db2.gz KJWSASYLQPOBBQ-UHFFFAOYSA-N 0 0 314.832 3.493 20 10 DGCDRN CCOC(=O)c1cc(NCc2c(O)cccc2Cl)cn1C ZINC000809754831 626947544 /nfs/dbraw/zinc/94/75/44/626947544.db2.gz BNTJLULPOHYDCX-UHFFFAOYSA-N 0 0 308.765 3.173 20 10 DGCDRN C[C@H](CCn1cccn1)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809775614 626951032 /nfs/dbraw/zinc/95/10/32/626951032.db2.gz FZWRZCRJUYHMHA-SNVBAGLBSA-N 0 0 314.216 3.464 20 10 DGCDRN CN1c2ccccc2N(Cc2cc(Cl)ccc2O)CCC1=O ZINC000809786324 626952979 /nfs/dbraw/zinc/95/29/79/626952979.db2.gz XWBVFENUDNRJFJ-UHFFFAOYSA-N 0 0 316.788 3.419 20 10 DGCDRN Cc1ccccc1Cc1nnc(N(C)Cc2ccccc2O)n1C ZINC000809812126 626955598 /nfs/dbraw/zinc/95/55/98/626955598.db2.gz MAYCJSUSXPYDMK-UHFFFAOYSA-N 0 0 322.412 3.056 20 10 DGCDRN CCc1ccc(-c2nnc(N(C)Cc3ccccc3O)n2C)cc1 ZINC000809875204 626957577 /nfs/dbraw/zinc/95/75/77/626957577.db2.gz JBHZCPMJAAAGNR-UHFFFAOYSA-N 0 0 322.412 3.387 20 10 DGCDRN CCN(CC)c1ccc(CN(C)[C@@H](C)c2noc(C)n2)cc1 ZINC000809933013 626960775 /nfs/dbraw/zinc/96/07/75/626960775.db2.gz NIDKDRJORICEFW-ZDUSSCGKSA-N 0 0 302.422 3.417 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000885223161 626987718 /nfs/dbraw/zinc/98/77/18/626987718.db2.gz YRFBDHXZGUWAEP-MXPGBNCWSA-N 0 0 313.397 3.148 20 10 DGCDRN CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000810257055 626994003 /nfs/dbraw/zinc/99/40/03/626994003.db2.gz GQQRLOJFGBESKX-HRDYMLBCSA-N 0 0 320.202 3.368 20 10 DGCDRN CCc1nnc(CN[C@H]2C[C@@H](C)c3c2c(O)ccc3F)s1 ZINC000810259060 626994152 /nfs/dbraw/zinc/99/41/52/626994152.db2.gz AJHLZOZAJJUFKQ-SCZZXKLOSA-N 0 0 307.394 3.283 20 10 DGCDRN C[C@@H](O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000136827208 627103614 /nfs/dbraw/zinc/10/36/14/627103614.db2.gz XHGLWRRKEDDJNA-NXEZZACHSA-N 0 0 304.217 3.292 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Cc1cccc2cccnc21 ZINC000136947191 627104540 /nfs/dbraw/zinc/10/45/40/627104540.db2.gz HGFVKXDPAQYYDF-UHFFFAOYSA-N 0 0 306.365 3.142 20 10 DGCDRN C[C@@H]([NH2+]CCCN(C)CC(F)(F)F)c1c([O-])cccc1F ZINC000886504240 627154128 /nfs/dbraw/zinc/15/41/28/627154128.db2.gz XSNJIUZIQLUOKT-SNVBAGLBSA-N 0 0 308.319 3.066 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1c([O-])cccc1F ZINC000886506206 627154484 /nfs/dbraw/zinc/15/44/84/627154484.db2.gz GWLWJIHJLSOFNY-WDEREUQCSA-N 0 0 320.330 3.066 20 10 DGCDRN COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886522644 627156756 /nfs/dbraw/zinc/15/67/56/627156756.db2.gz NVEOEPXKXWNCGB-JTQLQIEISA-N 0 0 320.320 3.299 20 10 DGCDRN C[C@@H]([NH2+]CCCCNc1ccccn1)c1c([O-])cccc1F ZINC000886522817 627156805 /nfs/dbraw/zinc/15/68/05/627156805.db2.gz RDEJFYUYAQJJAR-CYBMUJFWSA-N 0 0 303.381 3.469 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1OCCc2ccccc21)c1c([O-])cccc1F ZINC000886548185 627160881 /nfs/dbraw/zinc/16/08/81/627160881.db2.gz YMKGHYKICXWYNQ-SJKOYZFVSA-N 0 0 301.361 3.496 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1c([O-])cccc1F ZINC000886550110 627161324 /nfs/dbraw/zinc/16/13/24/627161324.db2.gz SKELGYGHIPOBAJ-FIKIJFGZSA-N 0 0 307.390 3.120 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)c1c([O-])cccc1F ZINC000886588706 627168614 /nfs/dbraw/zinc/16/86/14/627168614.db2.gz XSCIHDKLIHXGKH-UKRRQHHQSA-N 0 0 303.377 3.176 20 10 DGCDRN C[C@H](O)[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1ccccc1F ZINC000886631619 627177198 /nfs/dbraw/zinc/17/71/98/627177198.db2.gz RHQGGIYCUAVXMW-PSVSLLHZSA-N 0 0 307.340 3.443 20 10 DGCDRN C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886640102 627178390 /nfs/dbraw/zinc/17/83/90/627178390.db2.gz RJJGCBZDOOJLRJ-IGCXYCKISA-N 0 0 303.377 3.347 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)CO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000886730489 627198304 /nfs/dbraw/zinc/19/83/04/627198304.db2.gz FGGBMEGSDHUFCH-JSGCOSHPSA-N 0 0 320.389 3.300 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1CCC2(CCC2)CO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000886730490 627198454 /nfs/dbraw/zinc/19/84/54/627198454.db2.gz FGGBMEGSDHUFCH-OCCSQVGLSA-N 0 0 320.389 3.300 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)[C@H]2C)O1)c1ccc(F)cc1[O-] ZINC000886771733 627202817 /nfs/dbraw/zinc/20/28/17/627202817.db2.gz MQANDXYOKKCDJF-CVRPBIKUSA-N 0 0 323.408 3.155 20 10 DGCDRN CC[C@@H](N[C@H](CCO)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000886799031 627205540 /nfs/dbraw/zinc/20/55/40/627205540.db2.gz LPANPTQWMGCNQD-ZIAGYGMSSA-N 0 0 304.356 3.107 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1cccc(CO)c1 ZINC000222110941 627234232 /nfs/dbraw/zinc/23/42/32/627234232.db2.gz FNIZEKLFGILOFS-UHFFFAOYSA-N 0 0 312.196 3.481 20 10 DGCDRN Cc1sc(CC2CC2)nc1-c1cn(-c2ccc(N)cc2)nn1 ZINC000887511858 627275425 /nfs/dbraw/zinc/27/54/25/627275425.db2.gz XFFHGLFOCGFKBF-UHFFFAOYSA-N 0 0 311.414 3.234 20 10 DGCDRN CC(C)(C)OC(=O)N1CCCN1Cc1cc(Cl)ccc1O ZINC000811503164 627282612 /nfs/dbraw/zinc/28/26/12/627282612.db2.gz XTLNFVFVRGWMJZ-UHFFFAOYSA-N 0 0 312.797 3.403 20 10 DGCDRN CC(C)(CO)[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)C1CC1 ZINC000811518606 627287021 /nfs/dbraw/zinc/28/70/21/627287021.db2.gz MLJUPHZDICCVBE-AWEZNQCLSA-N 0 0 301.789 3.071 20 10 DGCDRN CC(C)OCc1cc(NC(=O)C2=CC(=O)CS2)ccc1O ZINC000811594502 627293483 /nfs/dbraw/zinc/29/34/83/627293483.db2.gz ORKRTRFMSOOIAL-UHFFFAOYSA-N 0 0 307.371 3.337 20 10 DGCDRN Cc1ccc(C)c(NC(=S)NCc2ncccc2N(C)C)c1 ZINC000811709646 627309349 /nfs/dbraw/zinc/30/93/49/627309349.db2.gz FDDKFRGQOQDWEB-UHFFFAOYSA-N 0 0 314.458 3.251 20 10 DGCDRN CCc1ccc(NC(=S)NCc2ncccc2N(C)C)cc1 ZINC000811710001 627310123 /nfs/dbraw/zinc/31/01/23/627310123.db2.gz WNXNWCBOJKEUPK-UHFFFAOYSA-N 0 0 314.458 3.197 20 10 DGCDRN COc1ccc(O)c(CNc2cc([N+](=O)[O-])ccc2C(C)=O)c1 ZINC000811805882 627323180 /nfs/dbraw/zinc/32/31/80/627323180.db2.gz FGNVJVOKYOEXFC-UHFFFAOYSA-N 0 0 316.313 3.124 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC1CCCC1 ZINC000840238221 627324945 /nfs/dbraw/zinc/32/49/45/627324945.db2.gz VSWIAMDYBYWDKF-AWEZNQCLSA-N 0 0 303.450 3.234 20 10 DGCDRN C[C@]12CN(C(=O)/C=C/c3ccc(O)c(O)c3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000887883491 627338020 /nfs/dbraw/zinc/33/80/20/627338020.db2.gz OZIXRAFOCOYPJC-PHPGGLGXSA-N 0 0 313.397 3.006 20 10 DGCDRN C[C@@H](NC(=O)Nc1ccnc(C2(C)CC2)n1)c1ccccc1O ZINC000888030908 627362839 /nfs/dbraw/zinc/36/28/39/627362839.db2.gz HVSBGRZTRSKNMF-LLVKDONJSA-N 0 0 312.373 3.116 20 10 DGCDRN CN(C)c1ccc(CNc2ncc3c(n2)CCCC3)cc1F ZINC000840251989 627376438 /nfs/dbraw/zinc/37/64/38/627376438.db2.gz SPGPENSHDJUHTI-UHFFFAOYSA-N 0 0 300.381 3.173 20 10 DGCDRN O=C(CCCC1CC1)NCc1ccc(N2CCSCC2)cc1 ZINC000812476014 627389996 /nfs/dbraw/zinc/38/99/96/627389996.db2.gz IPLHMBDJIIGGKS-UHFFFAOYSA-N 0 0 318.486 3.436 20 10 DGCDRN CCC[C@@H]1C[C@H]1C(=O)NCc1cc(Br)ccc1O ZINC000812574051 627398608 /nfs/dbraw/zinc/39/86/08/627398608.db2.gz BQHLJFUWLATDJW-BXKDBHETSA-N 0 0 312.207 3.207 20 10 DGCDRN CCn1cc(Cl)c(NC(=O)N[C@H](C)c2ccccc2O)n1 ZINC000889570012 627439861 /nfs/dbraw/zinc/43/98/61/627439861.db2.gz MTMRKTGMXVNOJN-SECBINFHSA-N 0 0 308.769 3.145 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2cc3c(cn2)CCCC3)cc1 ZINC000813013731 627441964 /nfs/dbraw/zinc/44/19/64/627441964.db2.gz BVSMZPGRUHWUNK-UHFFFAOYSA-N 0 0 324.428 3.348 20 10 DGCDRN Cc1cc(C(=O)Nc2ccnn2C2CC2)c(C)n1-c1ccccn1 ZINC000889692127 627458097 /nfs/dbraw/zinc/45/80/97/627458097.db2.gz HXJSZUSODBBWOA-UHFFFAOYSA-N 0 0 321.384 3.273 20 10 DGCDRN C[C@@H](Nc1nc(C2CCOCC2)no1)c1ccc(N(C)C)cc1 ZINC000840287958 627480466 /nfs/dbraw/zinc/48/04/66/627480466.db2.gz BPTKITKLMRZDLD-GFCCVEGCSA-N 0 0 316.405 3.203 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NCC[C@H]2CCC(F)(F)C2)cc1 ZINC000889996275 627492412 /nfs/dbraw/zinc/49/24/12/627492412.db2.gz WQHHYRUKWBMLJA-SNVBAGLBSA-N 0 0 324.331 3.404 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc[nH]c1C1CCC1 ZINC000813513625 627495569 /nfs/dbraw/zinc/49/55/69/627495569.db2.gz QPTYGDFDCXPMBO-NSHDSACASA-N 0 0 314.385 3.054 20 10 DGCDRN CCC(CC)(CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)OC ZINC000813717851 627508835 /nfs/dbraw/zinc/50/88/35/627508835.db2.gz AJKSCRLHVJIJEL-CQSZACIVSA-N 0 0 321.465 3.318 20 10 DGCDRN CC[C@H](C)CONC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000813829201 627514241 /nfs/dbraw/zinc/51/42/41/627514241.db2.gz GCYIOKWQYXLUHX-AWEZNQCLSA-N 0 0 319.449 3.404 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CC3(CCC3)[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000814171268 627545708 /nfs/dbraw/zinc/54/57/08/627545708.db2.gz MWGGAGYSYZXMRU-MRXNPFEDSA-N 0 0 320.389 3.320 20 10 DGCDRN Cc1ccc(O)c(CN2C[C@H](C(F)(F)F)OC(C)(C)C2)c1 ZINC000814176392 627546198 /nfs/dbraw/zinc/54/61/98/627546198.db2.gz QHSJXKGLVDFQPI-CYBMUJFWSA-N 0 0 303.324 3.242 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000814178413 627547224 /nfs/dbraw/zinc/54/72/24/627547224.db2.gz PCWIOJBGPPAYEK-ZDUSSCGKSA-N 0 0 313.800 3.433 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC1CC(C)C1 ZINC000840315634 627551121 /nfs/dbraw/zinc/55/11/21/627551121.db2.gz ZTCUUYQLVDLNDD-UGWHAMFMSA-N 0 0 303.450 3.090 20 10 DGCDRN Oc1ccc(Br)cc1CNc1nnc(C(F)F)o1 ZINC000814368266 627561511 /nfs/dbraw/zinc/56/15/11/627561511.db2.gz AYFIXYVLHWSZJD-UHFFFAOYSA-N 0 0 320.093 3.087 20 10 DGCDRN CN(Cc1ccccc1O)c1ccnc2c1cccc2[N+](=O)[O-] ZINC000814364770 627561729 /nfs/dbraw/zinc/56/17/29/627561729.db2.gz NXDFGQNAYLSBIO-UHFFFAOYSA-N 0 0 309.325 3.485 20 10 DGCDRN COc1ccc(N(C)C[C@@H](O)Cc2ccc(F)cc2)cc1F ZINC000815061430 627621291 /nfs/dbraw/zinc/62/12/91/627621291.db2.gz VAIDSQOKHBNJRA-HNNXBMFYSA-N 0 0 307.340 3.013 20 10 DGCDRN CCOCC(C)(C)[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000815147934 627637741 /nfs/dbraw/zinc/63/77/41/627637741.db2.gz HVRDWLHQPONLOP-UHFFFAOYSA-N 0 0 316.239 3.368 20 10 DGCDRN C[C@@H]([NH2+]CCSCCCO)c1cccc(C(F)(F)F)c1[O-] ZINC000815577808 627686038 /nfs/dbraw/zinc/68/60/38/627686038.db2.gz ZTESTELSZGZQPC-SNVBAGLBSA-N 0 0 323.380 3.177 20 10 DGCDRN CC(C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815572258 627686188 /nfs/dbraw/zinc/68/61/88/627686188.db2.gz YLFYJAMSPZONJC-WDEREUQCSA-N 0 0 305.340 3.469 20 10 DGCDRN C[C@H]([NH2+]CCSCCCO)c1cccc(C(F)(F)F)c1[O-] ZINC000815577807 627686231 /nfs/dbraw/zinc/68/62/31/627686231.db2.gz ZTESTELSZGZQPC-JTQLQIEISA-N 0 0 323.380 3.177 20 10 DGCDRN CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815583039 627687562 /nfs/dbraw/zinc/68/75/62/627687562.db2.gz VNHUGXZMNCUXPU-KBVBSXBZSA-N 0 0 323.380 3.174 20 10 DGCDRN OCC(F)(F)CN[C@@H](CCc1ccccc1)c1ccccc1O ZINC000815616875 627691167 /nfs/dbraw/zinc/69/11/67/627691167.db2.gz ALHCJSOOQWGLPY-INIZCTEOSA-N 0 0 321.367 3.283 20 10 DGCDRN OCC(F)(F)CN[C@H](CCc1ccccc1)c1ccccc1O ZINC000815616876 627691207 /nfs/dbraw/zinc/69/12/07/627691207.db2.gz ALHCJSOOQWGLPY-MRXNPFEDSA-N 0 0 321.367 3.283 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1cccc(C(F)(F)F)c1[O-] ZINC000815621573 627691846 /nfs/dbraw/zinc/69/18/46/627691846.db2.gz XPAPSGYRVDIIBG-OUJBWJOFSA-N 0 0 303.324 3.487 20 10 DGCDRN COCC[C@@H](COC)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815628383 627692869 /nfs/dbraw/zinc/69/28/69/627692869.db2.gz YTFNWZYARAJNES-QWRGUYRKSA-N 0 0 321.339 3.113 20 10 DGCDRN CCCc1nc(C)c(C(=O)N[C@@H](C)c2cc(OC)ccc2O)o1 ZINC000815835138 627706760 /nfs/dbraw/zinc/70/67/60/627706760.db2.gz KZUUVXSJOUQQIL-JTQLQIEISA-N 0 0 318.373 3.141 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1sccc1F ZINC000815835927 627706943 /nfs/dbraw/zinc/70/69/43/627706943.db2.gz JSTSOHQOIIJUTF-UHFFFAOYSA-N 0 0 305.374 3.402 20 10 DGCDRN CC(F)(F)c1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000815835988 627706983 /nfs/dbraw/zinc/70/69/83/627706983.db2.gz MJAZWXGMOGETHM-UHFFFAOYSA-N 0 0 307.296 3.140 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CC3CCC2CC3)c1 ZINC000815835207 627707003 /nfs/dbraw/zinc/70/70/03/627707003.db2.gz NBTWCMVEAVYRIT-NEQJSVFRSA-N 0 0 303.402 3.404 20 10 DGCDRN CO[C@H]1CCCC[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000815835833 627707148 /nfs/dbraw/zinc/70/71/48/627707148.db2.gz HAXWFLKPJTVQND-YJBOKZPZSA-N 0 0 317.429 3.092 20 10 DGCDRN CCCc1nc(C)c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000816180302 627750031 /nfs/dbraw/zinc/75/00/31/627750031.db2.gz KMUHYEKQPJOUTR-GFCCVEGCSA-N 0 0 315.417 3.493 20 10 DGCDRN C[C@@H](NC(=O)N[C@H](c1ccccn1)C1CC1)c1ccccc1O ZINC000925570500 627756440 /nfs/dbraw/zinc/75/64/40/627756440.db2.gz JSQPJCPACWXGCT-PXAZEXFGSA-N 0 0 311.385 3.299 20 10 DGCDRN C[C@@H](c1ccc(F)cc1[O-])[N@@H+]1CCOc2ccc(N)cc2C1 ZINC000925753226 627788024 /nfs/dbraw/zinc/78/80/24/627788024.db2.gz FDSXCCRAHABFIS-NSHDSACASA-N 0 0 302.349 3.069 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000816503612 627798474 /nfs/dbraw/zinc/79/84/74/627798474.db2.gz FMROMRPKADGELF-CYBMUJFWSA-N 0 0 312.816 3.245 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000816513643 627799199 /nfs/dbraw/zinc/79/91/99/627799199.db2.gz XHPQMDZGSGBFAI-MRXNPFEDSA-N 0 0 321.779 3.276 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1cn2ccccc2n1 ZINC000816530069 627803093 /nfs/dbraw/zinc/80/30/93/627803093.db2.gz RRDDXCAXILTYKT-UHFFFAOYSA-N 0 0 305.740 3.122 20 10 DGCDRN O=C(CC[NH2+]Cc1cc(Cl)c(F)cc1[O-])Nc1ccccc1 ZINC000816549070 627805779 /nfs/dbraw/zinc/80/57/79/627805779.db2.gz CCAOASHZLITCKC-UHFFFAOYSA-N 0 0 322.767 3.303 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@@H](O)Cc1ccccc1 ZINC000816558122 627807400 /nfs/dbraw/zinc/80/74/00/627807400.db2.gz NULKTMDGAZDLIS-ZBEGNZNMSA-N 0 0 323.795 3.266 20 10 DGCDRN COCC1(C)CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816565580 627808246 /nfs/dbraw/zinc/80/82/46/627808246.db2.gz UHLUKHONEHJSCE-UHFFFAOYSA-N 0 0 301.789 3.433 20 10 DGCDRN Cc1nn(C)c2ncc(NCc3cc(Cl)c(F)cc3O)cc12 ZINC000816566162 627809174 /nfs/dbraw/zinc/80/91/74/627809174.db2.gz MPLNDTHGBSZBPZ-UHFFFAOYSA-N 0 0 320.755 3.387 20 10 DGCDRN O=C(Nc1cnn(C2CCCC2)c1)N1Cc2cccc(O)c2C1 ZINC000925877470 627810568 /nfs/dbraw/zinc/81/05/68/627810568.db2.gz JJNOLXFXMFKTAA-UHFFFAOYSA-N 0 0 312.373 3.252 20 10 DGCDRN CN(C)c1ccc(CN2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1F ZINC000816665982 627822243 /nfs/dbraw/zinc/82/22/43/627822243.db2.gz BHWGZONPNIWUKC-ZWKOTPCHSA-N 0 0 304.409 3.035 20 10 DGCDRN COc1c([O-])c(C[NH2+]CCC(C)(C)C2CC2)ccc1[N+](=O)[O-] ZINC000816664428 627822544 /nfs/dbraw/zinc/82/25/44/627822544.db2.gz LOPDYKAQIXHQSB-UHFFFAOYSA-N 0 0 308.378 3.225 20 10 DGCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1csnn1 ZINC000817295511 627878959 /nfs/dbraw/zinc/87/89/59/627878959.db2.gz JKWZCFRUMVSHRL-CYBMUJFWSA-N 0 0 303.431 3.382 20 10 DGCDRN Cc1c(Cl)c(CNCc2ccc3c(c2)CCCN3C)nn1C ZINC000817407677 627894723 /nfs/dbraw/zinc/89/47/23/627894723.db2.gz XXMXNFINTHZNGS-UHFFFAOYSA-N 0 0 318.852 3.054 20 10 DGCDRN Cc1c(Cl)c(CN[C@H](C)c2ccc(N(C)C)cc2)nn1C ZINC000817410864 627895481 /nfs/dbraw/zinc/89/54/81/627895481.db2.gz UJWBUPWYYKLHAE-LLVKDONJSA-N 0 0 306.841 3.299 20 10 DGCDRN CCCc1[nH]ccc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000817548776 627918759 /nfs/dbraw/zinc/91/87/59/627918759.db2.gz DDQWSKDWSYJZPC-UHFFFAOYSA-N 0 0 312.413 3.482 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1 ZINC000817881741 627952502 /nfs/dbraw/zinc/95/25/02/627952502.db2.gz NWQJVHQESOYSDF-ZBFHGGJFSA-N 0 0 304.434 3.075 20 10 DGCDRN CCC[C@H](C)NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817903399 627957096 /nfs/dbraw/zinc/95/70/96/627957096.db2.gz BPKQBVXBLZDVGC-NSHDSACASA-N 0 0 303.431 3.235 20 10 DGCDRN C[C@H]1CCCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000817905563 627957939 /nfs/dbraw/zinc/95/79/39/627957939.db2.gz OVYJDRNUOMORFH-LBPRGKRZSA-N 0 0 315.442 3.188 20 10 DGCDRN C[C@@H](CNC(=O)c1csc(Cc2ccc(N)cc2)n1)C1CC1 ZINC000817926770 627963787 /nfs/dbraw/zinc/96/37/87/627963787.db2.gz VEZNSXJELYRHKD-NSHDSACASA-N 0 0 315.442 3.092 20 10 DGCDRN C[C@H]1CCC[C@@H]1NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817935805 627966823 /nfs/dbraw/zinc/96/68/23/627966823.db2.gz DWAYUDXANUSIMU-FZMZJTMJSA-N 0 0 315.442 3.235 20 10 DGCDRN CC(C)C(=O)[C@H](NC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000926894243 627973712 /nfs/dbraw/zinc/97/37/12/627973712.db2.gz MBQORWIGCHHAIZ-CQSZACIVSA-N 0 0 303.383 3.150 20 10 DGCDRN CC[C@@H]1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000817960527 627976280 /nfs/dbraw/zinc/97/62/80/627976280.db2.gz MOELIKOVYZQJSG-GFCCVEGCSA-N 0 0 315.442 3.188 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CCCC2(CCC2)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927009378 627996873 /nfs/dbraw/zinc/99/68/73/627996873.db2.gz CMVSIXUSUYNEQZ-JSGCOSHPSA-N 0 0 320.389 3.443 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCS[C@H](C)C2)c1 ZINC000927032412 628000406 /nfs/dbraw/zinc/00/04/06/628000406.db2.gz MZKIGKDHMQUKIG-MDZLAQPJSA-N 0 0 309.431 3.114 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CCCc2cccnc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927063231 628005472 /nfs/dbraw/zinc/00/54/72/628005472.db2.gz ABXLOVQLQHPAQQ-ABAIWWIYSA-N 0 0 313.357 3.424 20 10 DGCDRN CC(C)[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1cnn(C)c1 ZINC000927071776 628008314 /nfs/dbraw/zinc/00/83/14/628008314.db2.gz UQERARPRBCVEBL-BDJLRTHQSA-N 0 0 318.377 3.082 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(C2CC2)nn1C)c1cc(F)cc(F)c1[O-] ZINC000927101684 628014928 /nfs/dbraw/zinc/01/49/28/628014928.db2.gz LSZVXFMLIMGVCM-SECBINFHSA-N 0 0 307.344 3.132 20 10 DGCDRN COC(=O)c1cnc([C@@H](C)N[C@H](C)c2cc(F)ccc2O)s1 ZINC000818355516 628017556 /nfs/dbraw/zinc/01/75/56/628017556.db2.gz HAPRGKHNKXLEII-RKDXNWHRSA-N 0 0 324.377 3.186 20 10 DGCDRN COC(=O)c1cnc([C@@H](C)N[C@@H](C)c2cc(C)ccc2O)s1 ZINC000818357297 628018353 /nfs/dbraw/zinc/01/83/53/628018353.db2.gz YLMVHZQZPDLTQN-WDEREUQCSA-N 0 0 320.414 3.356 20 10 DGCDRN Cc1cc(C(=O)O[C@@H]2CCSC2)c(C)n1-c1ccccn1 ZINC000103827860 628023080 /nfs/dbraw/zinc/02/30/80/628023080.db2.gz HPFHSHHGTDOIRI-CYBMUJFWSA-N 0 0 302.399 3.151 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@]1(C)CCCCO1 ZINC000927195032 628033111 /nfs/dbraw/zinc/03/31/11/628033111.db2.gz QYBRTJLHXMFEST-GOSISDBHSA-N 0 0 320.433 3.273 20 10 DGCDRN Nc1ccc(CCNC(=O)[C@@H]2CCSc3ccccc32)cc1 ZINC000818545059 628033450 /nfs/dbraw/zinc/03/34/50/628033450.db2.gz DAJSFWZMKVOOLK-MRXNPFEDSA-N 0 0 312.438 3.207 20 10 DGCDRN Nc1ccc(CCNC(=O)[C@H]2CCSc3ccccc32)cc1 ZINC000818545058 628033610 /nfs/dbraw/zinc/03/36/10/628033610.db2.gz DAJSFWZMKVOOLK-INIZCTEOSA-N 0 0 312.438 3.207 20 10 DGCDRN C[C@H]1C[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CCS1 ZINC000927260808 628040638 /nfs/dbraw/zinc/04/06/38/628040638.db2.gz NPEMXRJFBLLABR-DZGCQCFKSA-N 0 0 321.490 3.178 20 10 DGCDRN O=C(N[C@H]1CCSC2(CCC2)C1)N1Cc2cccc(O)c2C1 ZINC000927284067 628043311 /nfs/dbraw/zinc/04/33/11/628043311.db2.gz SPBLNZBCHHJMOY-ZDUSSCGKSA-N 0 0 318.442 3.236 20 10 DGCDRN CC(C)C[C@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000818629945 628044996 /nfs/dbraw/zinc/04/49/96/628044996.db2.gz DWVAKRXSUBFBFX-OGZRUICASA-N 0 0 304.434 3.102 20 10 DGCDRN C[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@H]1C(=O)[O-] ZINC000818631804 628045107 /nfs/dbraw/zinc/04/51/07/628045107.db2.gz QSDSHUFRZLKUBY-CRAIPNDOSA-N 0 0 316.445 3.362 20 10 DGCDRN CCc1cc(N2C(=O)CN(Cc3ccccc3O)C2=O)ccc1C ZINC000819007882 628076961 /nfs/dbraw/zinc/07/69/61/628076961.db2.gz GONYBSAEQAENJS-UHFFFAOYSA-N 0 0 324.380 3.232 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NC[C@]23C[C@H]2CCC3)cc1 ZINC000927698028 628091487 /nfs/dbraw/zinc/09/14/87/628091487.db2.gz RBGBVBHTGNFZFY-QAPCUYQASA-N 0 0 301.434 3.084 20 10 DGCDRN COc1cccc(C[C@H](C)CC(=O)NCc2ccc(N)cc2)c1 ZINC000927767219 628098732 /nfs/dbraw/zinc/09/87/32/628098732.db2.gz BUXMJWNDOYROGL-AWEZNQCLSA-N 0 0 312.413 3.163 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000819164927 628103704 /nfs/dbraw/zinc/10/37/04/628103704.db2.gz XPLUINFUFHZECB-YOEHRIQHSA-N 0 0 306.450 3.368 20 10 DGCDRN CCCOc1ccccc1NC[C@H](O)COCc1ccco1 ZINC000819399403 628147823 /nfs/dbraw/zinc/14/78/23/628147823.db2.gz UTIRUZQWHHJMJD-AWEZNQCLSA-N 0 0 305.374 3.058 20 10 DGCDRN O[C@H](CNc1ccccc1OCCF)Cc1ccc(F)cc1 ZINC000819487817 628162277 /nfs/dbraw/zinc/16/22/77/628162277.db2.gz IWQVRWHCMUEPKE-HNNXBMFYSA-N 0 0 307.340 3.190 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)C(C)(C)C)C2)cc1 ZINC000819584476 628171392 /nfs/dbraw/zinc/17/13/92/628171392.db2.gz KDSCSDVXAHDGFY-LSDHHAIUSA-N 0 0 318.461 3.320 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNC(=O)/C=C\C(C)(C)C)C2)cc1 ZINC000819582123 628171443 /nfs/dbraw/zinc/17/14/43/628171443.db2.gz IFMOYTJBDADOQS-KLQCNHIUSA-N 0 0 316.445 3.240 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)C(C)=C3CCC3)C2)cc1 ZINC000819586621 628171504 /nfs/dbraw/zinc/17/15/04/628171504.db2.gz BTGUTTQHUSUQLG-OAHLLOKOSA-N 0 0 314.429 3.138 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)C(C)(C)C(C)C)C2)cc1 ZINC000819590815 628172016 /nfs/dbraw/zinc/17/20/16/628172016.db2.gz ZQAYLIJCZRHICT-OAHLLOKOSA-N 0 0 318.461 3.320 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNC(=O)C3=CCCCC3)C2)cc1 ZINC000819589466 628172135 /nfs/dbraw/zinc/17/21/35/628172135.db2.gz RHZDXXGDVDBNKU-HNNXBMFYSA-N 0 0 314.429 3.138 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNC(=O)C(C)(C)C3CC3)C2)cc1 ZINC000819591689 628172341 /nfs/dbraw/zinc/17/23/41/628172341.db2.gz VJSWBCDATGQLPB-AWEZNQCLSA-N 0 0 316.445 3.074 20 10 DGCDRN O=C(NCc1c(O)cccc1F)C1(Cc2ccccc2F)CC1 ZINC000928707162 628179453 /nfs/dbraw/zinc/17/94/53/628179453.db2.gz BJHRUYYTEFKCRP-UHFFFAOYSA-N 0 0 317.335 3.310 20 10 DGCDRN CCOCCC1(C(=O)NCc2c(O)cccc2F)CCCC1 ZINC000928705320 628179592 /nfs/dbraw/zinc/17/95/92/628179592.db2.gz JJPMHLRHTFILFA-UHFFFAOYSA-N 0 0 309.381 3.135 20 10 DGCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)CC[C@H](C)CC ZINC000819698359 628180437 /nfs/dbraw/zinc/18/04/37/628180437.db2.gz LJLLEKKDEUZVRK-CQSZACIVSA-N 0 0 321.417 3.110 20 10 DGCDRN COc1cccc(CNC(=O)NC[C@H]2CCC[C@H]2C2CC2)c1O ZINC000840398247 628190567 /nfs/dbraw/zinc/19/05/67/628190567.db2.gz WRXHMEXIDNGIMC-HIFRSBDPSA-N 0 0 318.417 3.026 20 10 DGCDRN C[C@H](Nc1ccc(Cl)nn1)c1ccc(N2CCOCC2)cc1 ZINC000819912849 628198836 /nfs/dbraw/zinc/19/88/36/628198836.db2.gz XPXBFQQUKJRLSC-LBPRGKRZSA-N 0 0 318.808 3.140 20 10 DGCDRN COc1ccc(N2CC[C@H](CNc3nc(C(C)C)no3)C2)cc1 ZINC000819933981 628201248 /nfs/dbraw/zinc/20/12/48/628201248.db2.gz AZEPCMRDYBTHTA-CYBMUJFWSA-N 0 0 316.405 3.140 20 10 DGCDRN CCc1nsc(NC[C@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000819937052 628201624 /nfs/dbraw/zinc/20/16/24/628201624.db2.gz YXZKYCAPEZTQIX-GFCCVEGCSA-N 0 0 318.446 3.048 20 10 DGCDRN CSCC[C@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820123343 628227863 /nfs/dbraw/zinc/22/78/63/628227863.db2.gz QFBOMLLOOOITIW-JTQLQIEISA-N 0 0 308.407 3.063 20 10 DGCDRN CCN(CC(C)=O)C(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC000820437093 628258305 /nfs/dbraw/zinc/25/83/05/628258305.db2.gz NOJSRLWONWQREL-UHFFFAOYSA-N 0 0 312.413 3.454 20 10 DGCDRN CC(C)CSCCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000821330712 628357424 /nfs/dbraw/zinc/35/74/24/628357424.db2.gz YZDSDZYCSVKZNG-UHFFFAOYSA-N 0 0 322.434 3.358 20 10 DGCDRN CCC[C@@H](OC)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000822270213 628434316 /nfs/dbraw/zinc/43/43/16/628434316.db2.gz ZCTBPCJZNARKST-QGZVFWFLSA-N 0 0 306.450 3.306 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)/C=C/[C@@H]2CCOC2)cc1 ZINC000822269711 628434476 /nfs/dbraw/zinc/43/44/76/628434476.db2.gz SYTHDRKXAQEFNH-VGMNTSGFSA-N 0 0 316.445 3.084 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ccc(COCCO)cc1 ZINC000822520578 628460623 /nfs/dbraw/zinc/46/06/23/628460623.db2.gz HNLLLRHSFBDKRY-UHFFFAOYSA-N 0 0 314.429 3.182 20 10 DGCDRN CC[C@H](NC(=O)N(CC)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000822572313 628466266 /nfs/dbraw/zinc/46/62/66/628466266.db2.gz KIUDRKQSMZGJDL-KRWDZBQOSA-N 0 0 303.450 3.473 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC2(C(F)F)CCCC2)cc1 ZINC000822986864 628516323 /nfs/dbraw/zinc/51/63/23/628516323.db2.gz JOKSBCHEMGWMJM-UHFFFAOYSA-N 0 0 310.304 3.157 20 10 DGCDRN CC/C(C)=C/C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000823003319 628518167 /nfs/dbraw/zinc/51/81/67/628518167.db2.gz FHAJBHMAYPBDGF-BUHFOSPRSA-N 0 0 302.418 3.137 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)cc1 ZINC000823023899 628519775 /nfs/dbraw/zinc/51/97/75/628519775.db2.gz QMHDZLWEBHFUJT-AWEZNQCLSA-N 0 0 312.373 3.254 20 10 DGCDRN CCC[C@H](OC)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000823196114 628536178 /nfs/dbraw/zinc/53/61/78/628536178.db2.gz WMHHYRZXQZQZLT-SFHVURJKSA-N 0 0 318.461 3.354 20 10 DGCDRN CCn1cc(N(CC(C)C)C(=O)/C=C/c2cncc(C)c2)cn1 ZINC000823431511 628561167 /nfs/dbraw/zinc/56/11/67/628561167.db2.gz ZVASTIUXXOEUEO-VOTSOKGWSA-N 0 0 312.417 3.309 20 10 DGCDRN CCn1cc(N(CC(C)C)C(=O)/C=C\c2cnccc2C)cn1 ZINC000823431154 628561351 /nfs/dbraw/zinc/56/13/51/628561351.db2.gz WJJVTSHAAMIKLL-SREVYHEPSA-N 0 0 312.417 3.309 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@@H](C)[C@H]1C ZINC000840480990 628578811 /nfs/dbraw/zinc/57/88/11/628578811.db2.gz AMAGTATUISQUJT-QLFBSQMISA-N 0 0 303.450 3.042 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H](C3CCC3)C2)cc1 ZINC000823669418 628585554 /nfs/dbraw/zinc/58/55/54/628585554.db2.gz IVJZKJQKGVYYHO-CYBMUJFWSA-N 0 0 300.362 3.111 20 10 DGCDRN COc1cccc(CNC(=O)N(C)Cc2ccccc2O)c1C ZINC000824140559 628631065 /nfs/dbraw/zinc/63/10/65/628631065.db2.gz RMJPJNBHHQDXAV-UHFFFAOYSA-N 0 0 314.385 3.051 20 10 DGCDRN CO[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)C1CCC1 ZINC000824261623 628644903 /nfs/dbraw/zinc/64/49/03/628644903.db2.gz HPFKPEIVHXFDGV-SFHVURJKSA-N 0 0 316.445 3.108 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)C(F)(F)F ZINC000824379456 628656307 /nfs/dbraw/zinc/65/63/07/628656307.db2.gz BMXMSOUZMCHAQC-SNVBAGLBSA-N 0 0 304.312 3.265 20 10 DGCDRN Cc1ncc(CN(Cc2ccco2)Cc2ccccc2O)n1C ZINC000824474863 628663934 /nfs/dbraw/zinc/66/39/34/628663934.db2.gz UZPMFDUVDDALFT-UHFFFAOYSA-N 0 0 311.385 3.230 20 10 DGCDRN CC[C@@H](C)[C@@H](C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])OC ZINC000824597319 628675333 /nfs/dbraw/zinc/67/53/33/628675333.db2.gz QXLUIFOZTGKXJY-NOZJJQNGSA-N 0 0 316.785 3.105 20 10 DGCDRN CC[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000824653765 628680358 /nfs/dbraw/zinc/68/03/58/628680358.db2.gz HHYWCALRKJLXMM-NEPJUHHUSA-N 0 0 308.378 3.225 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C1(CF)CCOCC1 ZINC000824691171 628684059 /nfs/dbraw/zinc/68/40/59/628684059.db2.gz WSNCZRZVOHFJFO-UHFFFAOYSA-N 0 0 308.180 3.307 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)C[C@H]3CC=CCC3)C2)cc1 ZINC000824729530 628687771 /nfs/dbraw/zinc/68/77/71/628687771.db2.gz WUBWWIHZBBYFJI-JKSUJKDBSA-N 0 0 314.429 3.137 20 10 DGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@H]2CCCC2(F)F)c1[O-] ZINC000824798280 628694569 /nfs/dbraw/zinc/69/45/69/628694569.db2.gz BPAWGEQTKRBAIN-SECBINFHSA-N 0 0 320.723 3.479 20 10 DGCDRN CO[C@@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C[C@@H]1C ZINC000824814617 628696534 /nfs/dbraw/zinc/69/65/34/628696534.db2.gz BVYWRTIMJRFLGC-GXFFZTMASA-N 0 0 314.223 3.012 20 10 DGCDRN O=C(CC1CC(F)(F)C1)NCc1ccc(N2CCCC2)cc1 ZINC000824983597 628713232 /nfs/dbraw/zinc/71/32/32/628713232.db2.gz ZGYGUMXWKTXEFK-UHFFFAOYSA-N 0 0 308.372 3.338 20 10 DGCDRN COc1ccc(O)c(CN2CCOC[C@H]2c2ccc(F)cc2)c1 ZINC000825046220 628720639 /nfs/dbraw/zinc/72/06/39/628720639.db2.gz QVJHSHXKEJZEPR-KRWDZBQOSA-N 0 0 317.360 3.113 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCCC3(CC3)CC2)cc1 ZINC000825064825 628724419 /nfs/dbraw/zinc/72/44/19/628724419.db2.gz LSLGPAXKDXSGAQ-UHFFFAOYSA-N 0 0 300.362 3.255 20 10 DGCDRN CN1CCCc2cc(CNC(=O)CC3CC(F)(F)C3)ccc21 ZINC000825510519 628770229 /nfs/dbraw/zinc/77/02/29/628770229.db2.gz AWQIJOGYTPIKRM-UHFFFAOYSA-N 0 0 308.372 3.121 20 10 DGCDRN [O-]c1c(Br)cccc1C[NH2+]C1CC(CF)(CF)C1 ZINC000825710536 628788546 /nfs/dbraw/zinc/78/85/46/628788546.db2.gz SIVKRSBMRYVSPY-UHFFFAOYSA-N 0 0 320.177 3.332 20 10 DGCDRN CC[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2O)CCO1 ZINC000826130727 628830092 /nfs/dbraw/zinc/83/00/92/628830092.db2.gz LWQALGGVNSRJCB-CHWSQXEVSA-N 0 0 314.223 3.202 20 10 DGCDRN CC(C)O[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000826530293 628856433 /nfs/dbraw/zinc/85/64/33/628856433.db2.gz DKAGWGRPFNIYLK-RHSMWYFYSA-N 0 0 319.449 3.023 20 10 DGCDRN C/C(=C\C(=O)N1C[C@@H](C)Oc2ccc(C)cc21)c1cnccn1 ZINC000826819961 628891385 /nfs/dbraw/zinc/89/13/85/628891385.db2.gz ZODWJJLMOOGCQC-KADHNRKRSA-N 0 0 309.369 3.002 20 10 DGCDRN OC[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CC[C@@H]1c1ccccc1 ZINC000827197258 628935383 /nfs/dbraw/zinc/93/53/83/628935383.db2.gz YFKDAQZHBXMEPO-FUHWJXTLSA-N 0 0 315.388 3.129 20 10 DGCDRN COC(=O)[C@@](C)(CCF)NCc1ccc(N2CCCCC2)cc1 ZINC000827352731 628952067 /nfs/dbraw/zinc/95/20/67/628952067.db2.gz ODXIOPKIAMPGRE-GOSISDBHSA-N 0 0 322.424 3.058 20 10 DGCDRN COc1cccc(C[C@@H]2CCCN2C(=O)Cc2ccc(N)cc2)c1 ZINC000827455029 628960938 /nfs/dbraw/zinc/96/09/38/628960938.db2.gz WSVQEVYPLYGJKV-SFHVURJKSA-N 0 0 324.424 3.054 20 10 DGCDRN COc1ccc(N(C)C[C@@H](O)[C@H](C)c2ccccc2)cc1OC ZINC000827491296 628963592 /nfs/dbraw/zinc/96/35/92/628963592.db2.gz JUWBVJIBAFNVKL-RHSMWYFYSA-N 0 0 315.413 3.305 20 10 DGCDRN CC(=O)c1nc(NCc2ccc(N(C)C)c(F)c2)sc1C ZINC000827495932 628964218 /nfs/dbraw/zinc/96/42/18/628964218.db2.gz AJQZRMJIAPCTMQ-UHFFFAOYSA-N 0 0 307.394 3.471 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000827648875 628979782 /nfs/dbraw/zinc/97/97/82/628979782.db2.gz FHZHLUPJYHIBSQ-UHFFFAOYSA-N 0 0 323.742 3.215 20 10 DGCDRN CCOC(=O)C(C)(C)NCc1ccc(N2CCCCC2)c(C)c1 ZINC000827661517 628980721 /nfs/dbraw/zinc/98/07/21/628980721.db2.gz PRBQFPRUIVMTMB-UHFFFAOYSA-N 0 0 318.461 3.417 20 10 DGCDRN C[C@@H](NC(=O)c1noc2c1CC(C)(C)CC2)c1ccccc1O ZINC000827916793 629003065 /nfs/dbraw/zinc/00/30/65/629003065.db2.gz JSLTXAWUVDNKIS-LLVKDONJSA-N 0 0 314.385 3.386 20 10 DGCDRN C[C@@H](NC(=O)COc1ccc2c(c1)CCC2)c1ccccc1O ZINC000827915927 629003184 /nfs/dbraw/zinc/00/31/84/629003184.db2.gz DZKWFKDVGSLQLO-CYBMUJFWSA-N 0 0 311.381 3.137 20 10 DGCDRN CC[C@@H](C)n1nc(C(=O)N[C@H](C)c2ccccc2O)cc1C ZINC000827940499 629005949 /nfs/dbraw/zinc/00/59/49/629005949.db2.gz DQNCCVDBDARFDE-DGCLKSJQSA-N 0 0 301.390 3.359 20 10 DGCDRN C[C@@H](NC(=O)c1csc([C@@H]2CCCO2)n1)c1ccccc1O ZINC000827940355 629005981 /nfs/dbraw/zinc/00/59/81/629005981.db2.gz BSCFJCIGFQEXAD-YGRLFVJLSA-N 0 0 318.398 3.191 20 10 DGCDRN C[C@@H](NC(=O)c1cnc([C@@H]2CCCO2)s1)c1ccccc1O ZINC000827940492 629006112 /nfs/dbraw/zinc/00/61/12/629006112.db2.gz DPWDCGBXTFIBBP-MFKMUULPSA-N 0 0 318.398 3.191 20 10 DGCDRN C[C@@H](NC(=O)CCc1cccc(N(C)C)c1)c1ccccc1O ZINC000827946999 629006450 /nfs/dbraw/zinc/00/64/50/629006450.db2.gz XSPSOKGGRPYJCU-CQSZACIVSA-N 0 0 312.413 3.268 20 10 DGCDRN CCOCc1nc(C)c(C(=O)N[C@H](C)c2ccccc2O)s1 ZINC000827952417 629007353 /nfs/dbraw/zinc/00/73/53/629007353.db2.gz RKYCZCDHWBLGIL-SNVBAGLBSA-N 0 0 320.414 3.185 20 10 DGCDRN C[C@@H](NC(=O)Cc1ccc2c(c1)CCCO2)c1ccccc1O ZINC000827952652 629007543 /nfs/dbraw/zinc/00/75/43/629007543.db2.gz ZYEQYHOJCCIUBU-CYBMUJFWSA-N 0 0 311.381 3.137 20 10 DGCDRN Cc1cccc(CO[C@@H](C)C(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000827955756 629007562 /nfs/dbraw/zinc/00/75/62/629007562.db2.gz DRDDISKNWIRBGU-GJZGRUSLSA-N 0 0 313.397 3.483 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(CF)cc1 ZINC000827955325 629007745 /nfs/dbraw/zinc/00/77/45/629007745.db2.gz DWHJFFAWCGHQCS-UHFFFAOYSA-N 0 0 300.377 3.461 20 10 DGCDRN C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)C2(C)C)c1ccccc1O ZINC000827952614 629007775 /nfs/dbraw/zinc/00/77/75/629007775.db2.gz YNXXWTUWPCQHQO-LLVKDONJSA-N 0 0 324.380 3.113 20 10 DGCDRN CC[C@](O)(CC(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 ZINC000827960592 629008339 /nfs/dbraw/zinc/00/83/39/629008339.db2.gz RNGFOCCZDKADDF-LIRRHRJNSA-N 0 0 313.397 3.257 20 10 DGCDRN CCOc1ccc(CN2C[C@H](C)O[C@](C)(C(F)F)C2)c(O)c1 ZINC000827962070 629008931 /nfs/dbraw/zinc/00/89/31/629008931.db2.gz FKKHQPLMAKTEEG-ZBEGNZNMSA-N 0 0 315.360 3.035 20 10 DGCDRN Cc1noc(C(F)(F)F)c1C(=O)N[C@@H](C)c1ccccc1O ZINC000827972990 629009704 /nfs/dbraw/zinc/00/97/04/629009704.db2.gz FHETVRHGYXGINT-ZETCQYMHSA-N 0 0 314.263 3.198 20 10 DGCDRN COc1ccccc1C1(C(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC000827978154 629010320 /nfs/dbraw/zinc/01/03/20/629010320.db2.gz JESGYWMSUZGGDE-ZDUSSCGKSA-N 0 0 311.381 3.310 20 10 DGCDRN CC(C)CC(=O)CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000828062552 629019873 /nfs/dbraw/zinc/01/98/73/629019873.db2.gz KGAMPULNKYQARX-GOSISDBHSA-N 0 0 319.445 3.379 20 10 DGCDRN C[C@H](NC(=O)C[C@H]1CC[C@@H](C(F)(F)F)O1)c1ccccc1O ZINC000828539434 629064315 /nfs/dbraw/zinc/06/43/15/629064315.db2.gz OUJQBZHTPQJRBA-CWSCBRNRSA-N 0 0 317.307 3.069 20 10 DGCDRN CC(C)c1ccc(C(=O)N[C@@H](C)c2ccccc2O)c(=O)[nH]1 ZINC000828538957 629064489 /nfs/dbraw/zinc/06/44/89/629064489.db2.gz GBMOKSQVXSLUGS-NSHDSACASA-N 0 0 300.358 3.107 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H]2CC=CC[C@H]2C(F)(F)F)c(O)c1O ZINC000828540237 629064899 /nfs/dbraw/zinc/06/48/99/629064899.db2.gz HAPNMCUTGKVHPY-GHMZBOCLSA-N 0 0 315.291 3.033 20 10 DGCDRN Cc1cc(CC(=O)N[C@@H]2CCSC2)c(C)n1-c1ccccc1 ZINC000828974168 629115897 /nfs/dbraw/zinc/11/58/97/629115897.db2.gz NQKVKUMCCQNTAZ-MRXNPFEDSA-N 0 0 314.454 3.258 20 10 DGCDRN Cc1cc(CN2CC(F)(F)C[C@@H]2CO)ccc1N1CCCCC1 ZINC000829092774 629128430 /nfs/dbraw/zinc/12/84/30/629128430.db2.gz NRHDMPKRVTXSHR-MRXNPFEDSA-N 0 0 324.415 3.187 20 10 DGCDRN CN(C[C@@H]1COCCO1)c1ccc(OCc2ccccc2)cc1 ZINC000829092785 629128672 /nfs/dbraw/zinc/12/86/72/629128672.db2.gz OEBCVWGWQBTCQU-LJQANCHMSA-N 0 0 313.397 3.117 20 10 DGCDRN CC(C)Oc1ccc(N(C)Cc2cn(CC3CC3)nn2)cc1 ZINC000829233923 629143175 /nfs/dbraw/zinc/14/31/75/629143175.db2.gz GQNFHRRCAKZIAP-UHFFFAOYSA-N 0 0 300.406 3.112 20 10 DGCDRN CCCc1nc(C)c(CSc2ncc(C(=O)OC)s2)o1 ZINC000829677548 629181578 /nfs/dbraw/zinc/18/15/78/629181578.db2.gz CJOVNTCOPMLNBM-UHFFFAOYSA-N 0 0 312.416 3.471 20 10 DGCDRN COC(=O)c1cnc(SCCc2ccc3c(c2)CCO3)s1 ZINC000829680726 629182099 /nfs/dbraw/zinc/18/20/99/629182099.db2.gz DKGYGWDKXIPDBM-UHFFFAOYSA-N 0 0 321.423 3.199 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc2c(c1)CCCN2 ZINC000829763859 629189464 /nfs/dbraw/zinc/18/94/64/629189464.db2.gz BKFWGHMEXZUTAE-UHFFFAOYSA-N 0 0 323.440 3.349 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)C[C@H](C)[C@H]1CCCO1 ZINC000830141341 629229594 /nfs/dbraw/zinc/22/95/94/629229594.db2.gz RENAMLZQJHNNLM-WMLDXEAASA-N 0 0 305.418 3.336 20 10 DGCDRN CN(Cc1ccccc1O)c1nnc(C2CCC2)n1CC1CC1 ZINC000830515539 629280140 /nfs/dbraw/zinc/28/01/40/629280140.db2.gz BMGSDARNCUXJOB-UHFFFAOYSA-N 0 0 312.417 3.298 20 10 DGCDRN CCc1ccc(CC(=O)NCc2c(O)ccc3c2CCCC3)nc1 ZINC000830559680 629283867 /nfs/dbraw/zinc/28/38/67/629283867.db2.gz RZTYSLRSMYAHIP-UHFFFAOYSA-N 0 0 324.424 3.087 20 10 DGCDRN CC(=O)c1cc(F)cc(Cn2cnc3c2C[C@H](C)[C@@H](C)C3)c1O ZINC000830919319 629321129 /nfs/dbraw/zinc/32/11/29/629321129.db2.gz ZLVPASHDTSZCBX-QWRGUYRKSA-N 0 0 316.376 3.350 20 10 DGCDRN C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)Cc1ccc(N)cc1 ZINC000831267832 629355749 /nfs/dbraw/zinc/35/57/49/629355749.db2.gz QAJDJJCQBDSILA-NSHDSACASA-N 0 0 316.351 3.235 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cn(C)nc1Cl ZINC000831415868 629375012 /nfs/dbraw/zinc/37/50/12/629375012.db2.gz BUDMGNLZWTWEBD-UHFFFAOYSA-N 0 0 321.808 3.222 20 10 DGCDRN COC(C)(C)C[N@H+](C)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000831487489 629381902 /nfs/dbraw/zinc/38/19/02/629381902.db2.gz CQGFBMBCBXIBTL-UHFFFAOYSA-N 0 0 317.385 3.100 20 10 DGCDRN CCCn1c(C)nnc1CN(CC1CC1)c1ccc(OC)cc1 ZINC000831588369 629394063 /nfs/dbraw/zinc/39/40/63/629394063.db2.gz YBSVRJSNHZKZKI-UHFFFAOYSA-N 0 0 314.433 3.422 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000831925183 629428638 /nfs/dbraw/zinc/42/86/38/629428638.db2.gz SKSBKYLXADFCDO-TXPWEPMLSA-N 0 0 317.429 3.361 20 10 DGCDRN C[C@H](NC(=O)Cc1cc(C2CC2)no1)c1ccc(N(C)C)cc1 ZINC000832431742 629479622 /nfs/dbraw/zinc/47/96/22/629479622.db2.gz TWTGUXXQUQACLE-LBPRGKRZSA-N 0 0 313.401 3.038 20 10 DGCDRN C[C@@H](NC(=O)[C@@H](C)Cc1ccco1)c1ccc(N(C)C)cc1 ZINC000832437282 629480427 /nfs/dbraw/zinc/48/04/27/629480427.db2.gz YPKIBGPDXZRLBI-UONOGXRCSA-N 0 0 300.402 3.402 20 10 DGCDRN CC[C@@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)C(F)F ZINC000833204131 629570587 /nfs/dbraw/zinc/57/05/87/629570587.db2.gz FETRCZFNBZMWIN-CYBMUJFWSA-N 0 0 307.344 3.263 20 10 DGCDRN CCOc1ccc(O)c(C[N@H+](C)Cc2cc(C(=O)[O-])c(C)o2)c1 ZINC000833662362 629637691 /nfs/dbraw/zinc/63/76/91/629637691.db2.gz CQOVRWKWSRVRLF-UHFFFAOYSA-N 0 0 319.357 3.023 20 10 DGCDRN COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC000833733811 629644496 /nfs/dbraw/zinc/64/44/96/629644496.db2.gz RIDQRZUBHPJOPE-NXEZZACHSA-N 0 0 305.330 3.104 20 10 DGCDRN O[C@H](COc1ccc(N2CCCC2)cc1)Cc1ccc(F)cc1 ZINC000834369634 629700056 /nfs/dbraw/zinc/70/00/56/629700056.db2.gz XHMLNYBNRDAEDO-SFHVURJKSA-N 0 0 315.388 3.408 20 10 DGCDRN Cn1ccnc1[C@@H](N[C@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000834503243 629718491 /nfs/dbraw/zinc/71/84/91/629718491.db2.gz XBJVMMGICJKZOV-LPHOPBHVSA-N 0 0 319.408 3.492 20 10 DGCDRN Oc1cccc2c1[C@@H](Nc1cccc(N3CCOCC3)c1)CC2 ZINC000834710032 629762672 /nfs/dbraw/zinc/76/26/72/629762672.db2.gz PSWZMMXNCZTBGI-KRWDZBQOSA-N 0 0 310.397 3.328 20 10 DGCDRN COC[C@](C)(O)CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000834844721 629789188 /nfs/dbraw/zinc/78/91/88/629789188.db2.gz UFVFYHIFYCECMF-LKFCYVNXSA-N 0 0 322.232 3.137 20 10 DGCDRN Cc1cc(Cl)cc([C@H](C)NCc2nnc(C(C)C)[nH]2)c1O ZINC000834871576 629794250 /nfs/dbraw/zinc/79/42/50/629794250.db2.gz MWPWDCPCKXJDOG-JTQLQIEISA-N 0 0 308.813 3.446 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-])[C@H](C)O ZINC000834886964 629797845 /nfs/dbraw/zinc/79/78/45/629797845.db2.gz GGYHVUGRKGVWSV-UBJUHAIHSA-N 0 0 320.202 3.104 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](C)CC(=O)NC)c1ccc(Cl)c(Cl)c1[O-] ZINC000834898924 629801898 /nfs/dbraw/zinc/80/18/98/629801898.db2.gz CECOXCIRNDDCKH-GZMMTYOYSA-N 0 0 319.232 3.264 20 10 DGCDRN Cc1cc(C)c(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000834903495 629803747 /nfs/dbraw/zinc/80/37/47/629803747.db2.gz PWXYBWOSCZNAER-GFCCVEGCSA-N 0 0 301.346 3.163 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCOC(C)(C)C2)c1 ZINC000834913056 629807605 /nfs/dbraw/zinc/80/76/05/629807605.db2.gz YXQVEDUPUMRXLJ-QWHCGFSZSA-N 0 0 321.417 3.035 20 10 DGCDRN CN(C)c1ccc(/C=C\CN(CCCO)CC(F)(F)F)cc1 ZINC000835027392 629828819 /nfs/dbraw/zinc/82/88/19/629828819.db2.gz LKJDKCGYHJKIIM-HYXAFXHYSA-N 0 0 316.367 3.013 20 10 DGCDRN CCC[C@@](C)(NC/C=C/c1ccc(N(C)C)cc1)C(=O)OC ZINC000835033865 629829699 /nfs/dbraw/zinc/82/96/99/629829699.db2.gz YEHITAUPFURQDU-LKGOPFMKSA-N 0 0 304.434 3.087 20 10 DGCDRN CN(C)c1ccc(/C=C/CNCc2noc3c2CCCC3)cc1 ZINC000835054189 629838526 /nfs/dbraw/zinc/83/85/26/629838526.db2.gz SEIQKUTYOQYRRH-AATRIKPKSA-N 0 0 311.429 3.422 20 10 DGCDRN COC(C)(C)COC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000835501805 629946756 /nfs/dbraw/zinc/94/67/56/629946756.db2.gz DRTXOJAYDPNSQG-UHFFFAOYSA-N 0 0 302.374 3.071 20 10 DGCDRN CC(C)[C@@H]1C[C@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000836244612 630088895 /nfs/dbraw/zinc/08/88/95/630088895.db2.gz WKILXIIKNZIPTJ-WMZOPIPTSA-N 0 0 315.461 3.378 20 10 DGCDRN Cc1cc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)ccn1 ZINC000836405563 630110105 /nfs/dbraw/zinc/11/01/05/630110105.db2.gz HUWDLCKGCUFXFV-CQSZACIVSA-N 0 0 312.417 3.016 20 10 DGCDRN C[C@@H](NC(=O)N1CCC[C@@](C)(F)C1)c1ccc(N(C)C)cc1 ZINC000836405360 630110352 /nfs/dbraw/zinc/11/03/52/630110352.db2.gz DLSOLFJEIDSZLZ-CXAGYDPISA-N 0 0 307.413 3.347 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2cc(C)cs2)c1 ZINC000836581113 630136690 /nfs/dbraw/zinc/13/66/90/630136690.db2.gz HFTWPNPVSALRSZ-LLVKDONJSA-N 0 0 320.414 3.331 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2c(C)cc(C)nc2C)c1 ZINC000836629637 630143879 /nfs/dbraw/zinc/14/38/79/630143879.db2.gz PVVQVLFZYKZDQE-UHFFFAOYSA-N 0 0 315.373 3.043 20 10 DGCDRN CCc1ccc(N(CC2CC2)C(=O)/C=C/c2cnccn2)cc1 ZINC000836835036 630170605 /nfs/dbraw/zinc/17/06/05/630170605.db2.gz JEHDCVNRQCRMON-JXMROGBWSA-N 0 0 307.397 3.495 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CC23CCOCC3)cc1 ZINC000836868399 630176040 /nfs/dbraw/zinc/17/60/40/630176040.db2.gz FZLPGVPMKKTQLG-SFHVURJKSA-N 0 0 324.424 3.393 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCC1(CO)CC1 ZINC000836970250 630194305 /nfs/dbraw/zinc/19/43/05/630194305.db2.gz SMOIKYVPNUNSJY-UHFFFAOYSA-N 0 0 318.442 3.048 20 10 DGCDRN CCC1(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)COC1 ZINC000836991777 630198720 /nfs/dbraw/zinc/19/87/20/630198720.db2.gz ZPZGAULGYMRXLH-UHFFFAOYSA-N 0 0 312.413 3.251 20 10 DGCDRN CC(C)(CNC(=O)/C=C\c1ccc(O)c(O)c1)C1=CCCC1 ZINC000837216069 630228653 /nfs/dbraw/zinc/22/86/53/630228653.db2.gz MNKLNYVOQKHUQP-NTMALXAHSA-N 0 0 301.386 3.364 20 10 DGCDRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCc1ccc(N)cc1 ZINC000837302986 630237362 /nfs/dbraw/zinc/23/73/62/630237362.db2.gz PBRPIUPQRJFJQZ-OLMNPRSZSA-N 0 0 318.461 3.362 20 10 DGCDRN Nc1ccc(CNC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)cc1 ZINC000837302763 630237394 /nfs/dbraw/zinc/23/73/94/630237394.db2.gz FWRDYZFXTPXDPE-AZUAARDMSA-N 0 0 306.409 3.179 20 10 DGCDRN C[C@H](CC(F)(F)F)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000837320015 630239609 /nfs/dbraw/zinc/23/96/09/630239609.db2.gz BPYOTLOTAJKEPB-LLVKDONJSA-N 0 0 302.340 3.300 20 10 DGCDRN COC1(COC(=O)c2sc3nc(C)cc(C)c3c2N)CCC1 ZINC000837385127 630251161 /nfs/dbraw/zinc/25/11/61/630251161.db2.gz SAIISNMSFBXJOZ-UHFFFAOYSA-N 0 0 320.414 3.221 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)[C@@H](C)C3CCC3)CC2)cc1 ZINC000837385772 630251249 /nfs/dbraw/zinc/25/12/49/630251249.db2.gz DOEIYTJIWYPVAS-AWEZNQCLSA-N 0 0 316.445 3.216 20 10 DGCDRN CC[C@H](CC(F)F)C(=O)NCCCSc1nccs1 ZINC000837414485 630255456 /nfs/dbraw/zinc/25/54/56/630255456.db2.gz QBSUPWGMRHZBJI-SECBINFHSA-N 0 0 308.419 3.423 20 10 DGCDRN C[C@H]1CC[C@@](C)(C(=O)NCCc2ccc(O)c(O)c2)C1(C)C ZINC000837481446 630264738 /nfs/dbraw/zinc/26/47/38/630264738.db2.gz OUXDGLHPBVQFNA-SGTLLEGYSA-N 0 0 305.418 3.219 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@H](SC)C2)cc1 ZINC000837723929 630303537 /nfs/dbraw/zinc/30/35/37/630303537.db2.gz AUAQYBVZLHBBIH-INIZCTEOSA-N 0 0 321.490 3.180 20 10 DGCDRN CCC[C@@H]1CCC[C@@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000837831619 630316685 /nfs/dbraw/zinc/31/66/85/630316685.db2.gz HBPPCLHANMBNBA-YPMHNXCESA-N 0 0 306.358 3.040 20 10 DGCDRN CC1(NC(=S)NCc2c(O)ccc3c2CCCC3)CCC1 ZINC000840733476 630353579 /nfs/dbraw/zinc/35/35/79/630353579.db2.gz RXDKMCFNUBDHIW-UHFFFAOYSA-N 0 0 304.459 3.178 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)[C@@](C)(OC)C2CC2)c1 ZINC000840860517 630368324 /nfs/dbraw/zinc/36/83/24/630368324.db2.gz NYYNPTMJLDNRMS-VNBZBWLYSA-N 0 0 321.417 3.033 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)[C@](C)(OC)C2CC2)c1 ZINC000840860515 630368608 /nfs/dbraw/zinc/36/86/08/630368608.db2.gz NYYNPTMJLDNRMS-PZROIBLQSA-N 0 0 321.417 3.033 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1cnc(Br)cn1 ZINC000840884116 630372619 /nfs/dbraw/zinc/37/26/19/630372619.db2.gz JBYSABOJFFDPEM-UHFFFAOYSA-N 0 0 321.222 3.226 20 10 DGCDRN CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000840889941 630373044 /nfs/dbraw/zinc/37/30/44/630373044.db2.gz JJTOZXHINYSFQQ-DTWKUNHWSA-N 0 0 319.232 3.263 20 10 DGCDRN C[C@@H]([NH2+]CC(C)(C)c1cccnc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840891165 630373187 /nfs/dbraw/zinc/37/31/87/630373187.db2.gz HIJSCPJELFKWNX-GFCCVEGCSA-N 0 0 315.373 3.324 20 10 DGCDRN C[C@H]([NH2+]CC(C)(C)c1cccnc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840891446 630373230 /nfs/dbraw/zinc/37/32/30/630373230.db2.gz HIJSCPJELFKWNX-LBPRGKRZSA-N 0 0 315.373 3.324 20 10 DGCDRN Cc1noc([C@@H]2CCC[N@H+](Cc3c(O)cc(C)cc3Cl)C2)n1 ZINC000840910413 630376338 /nfs/dbraw/zinc/37/63/38/630376338.db2.gz GGPINBAMWOSSNC-GFCCVEGCSA-N 0 0 321.808 3.425 20 10 DGCDRN Cc1nc(C2(NCc3ccc(N(C)C)cc3C)CCCC2)no1 ZINC000840931773 630380154 /nfs/dbraw/zinc/38/01/54/630380154.db2.gz JXBAXUNZLAWYQK-UHFFFAOYSA-N 0 0 314.433 3.312 20 10 DGCDRN COC[C@@H](C)n1ccc(NCc2c(O)cc(C)cc2Cl)n1 ZINC000840938034 630381270 /nfs/dbraw/zinc/38/12/70/630381270.db2.gz CJNBZFBKFGNHFB-LLVKDONJSA-N 0 0 309.797 3.370 20 10 DGCDRN Cc1cc(O)c(CN2CC[S@@](=O)C(C)(C)CC2)c(Cl)c1 ZINC000840950313 630383244 /nfs/dbraw/zinc/38/32/44/630383244.db2.gz IUJSIFKVRCTCPC-HXUWFJFHSA-N 0 0 315.866 3.087 20 10 DGCDRN C[C@@H]([NH2+]Cc1cccc(Br)c1[O-])[C@@H]1CC1(F)F ZINC000840967873 630387964 /nfs/dbraw/zinc/38/79/64/630387964.db2.gz KNGVXQUYWXSXBA-APPZFPTMSA-N 0 0 306.150 3.288 20 10 DGCDRN CC[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])CC(F)(F)F ZINC000840960610 630386615 /nfs/dbraw/zinc/38/66/15/630386615.db2.gz PZSYHFXPCHBUSI-SECBINFHSA-N 0 0 306.284 3.369 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]C1(CO)C2CC3CC(C2)CC1C3 ZINC000840964504 630387618 /nfs/dbraw/zinc/38/76/18/630387618.db2.gz WSOFRNPKGVMNLL-UHFFFAOYSA-N 0 0 321.848 3.322 20 10 DGCDRN CN(C)c1ccc(/C=C/CN2CC(CO)(c3ccccc3)C2)cc1 ZINC000840970183 630388711 /nfs/dbraw/zinc/38/87/11/630388711.db2.gz PEBWFKGSXMUMQN-VOTSOKGWSA-N 0 0 322.452 3.012 20 10 DGCDRN C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000840978969 630390510 /nfs/dbraw/zinc/39/05/10/630390510.db2.gz QRIZFIGPTGFYMB-NXEZZACHSA-N 0 0 304.217 3.292 20 10 DGCDRN CCN(Cc1ccccc1)c1ccc(C[N@H+](C)CC(=O)[O-])cc1 ZINC000840994956 630391879 /nfs/dbraw/zinc/39/18/79/630391879.db2.gz DVJVIKZUAXPUAA-UHFFFAOYSA-N 0 0 312.413 3.230 20 10 DGCDRN CCCN(CCC)c1ccc(C[N@@H+]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000840995480 630392613 /nfs/dbraw/zinc/39/26/13/630392613.db2.gz PMMRSUCWJBGLKQ-INIZCTEOSA-N 0 0 304.434 3.220 20 10 DGCDRN O=C([O-])[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000840997652 630393020 /nfs/dbraw/zinc/39/30/20/630393020.db2.gz XEFMKQCQSNSGQP-MRXNPFEDSA-N 0 0 311.381 3.356 20 10 DGCDRN Cc1cccc(C[NH2+][C@H](CCC(=O)[O-])Cc2ccccc2)c1O ZINC000840998639 630393413 /nfs/dbraw/zinc/39/34/13/630393413.db2.gz LSQVUNCQZXIXHK-QGZVFWFLSA-N 0 0 313.397 3.266 20 10 DGCDRN CCCOc1ccccc1NC(=O)NCCc1ccc(N)cc1 ZINC000841014579 630395487 /nfs/dbraw/zinc/39/54/87/630395487.db2.gz ZRUXVHUSUWPJGW-UHFFFAOYSA-N 0 0 313.401 3.422 20 10 DGCDRN CCCCC[C@H](NC(=O)C(=O)Nc1ccc(N)cc1)C(C)(C)C ZINC000841038286 630399986 /nfs/dbraw/zinc/39/99/86/630399986.db2.gz IRVCXBGSNQKGTF-HNNXBMFYSA-N 0 0 319.449 3.319 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H]1NCCc2ccccc21 ZINC000841069473 630404177 /nfs/dbraw/zinc/40/41/77/630404177.db2.gz XHBSSUAZJCSNPO-MRXNPFEDSA-N 0 0 320.795 3.161 20 10 DGCDRN [NH3+]CC[C@@H](NCc1cc(Cl)cc(Cl)c1[O-])C(F)(F)F ZINC000841090874 630406616 /nfs/dbraw/zinc/40/66/16/630406616.db2.gz PCJIPNJUFOTWQD-SECBINFHSA-N 0 0 317.138 3.068 20 10 DGCDRN C[C@H](NC(=O)c1nc2c(s1)CCC2)c1ccc(N(C)C)cc1 ZINC000841186437 630414578 /nfs/dbraw/zinc/41/45/78/630414578.db2.gz IZCXTZANNQXBAK-NSHDSACASA-N 0 0 315.442 3.189 20 10 DGCDRN COc1cc(C)c(NC(=O)NCCc2ccc(N)cc2)cc1C ZINC000841218606 630417207 /nfs/dbraw/zinc/41/72/07/630417207.db2.gz SRLSXBDYPHSUMQ-UHFFFAOYSA-N 0 0 313.401 3.258 20 10 DGCDRN CCC[C@@H](NC(=O)Nc1ccc(N)cc1)[C@H](O)c1ccccc1 ZINC000841296624 630424046 /nfs/dbraw/zinc/42/40/46/630424046.db2.gz GPQNGLXJBVHSAD-IAGOWNOFSA-N 0 0 313.401 3.293 20 10 DGCDRN CCO[C@H](CCNC(=O)Nc1ccc(N)cc1)C1CCCC1 ZINC000841298492 630424579 /nfs/dbraw/zinc/42/45/79/630424579.db2.gz ALTCTZSXTUSODZ-MRXNPFEDSA-N 0 0 305.422 3.376 20 10 DGCDRN Nc1ccc(NC(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)cc1 ZINC000841296703 630424619 /nfs/dbraw/zinc/42/46/19/630424619.db2.gz XQFPPRRWBXEOLG-WMLDXEAASA-N 0 0 311.385 3.168 20 10 DGCDRN CC1(C)CN(C(=O)Nc2ccc(N)cc2)Cc2ccccc2O1 ZINC000841299732 630424911 /nfs/dbraw/zinc/42/49/11/630424911.db2.gz NGSKJDAKZRGQOP-UHFFFAOYSA-N 0 0 311.385 3.474 20 10 DGCDRN C[C@@H](NC(=O)Nc1ccc(N)cc1)[C@H]1OCCc2sccc21 ZINC000841299297 630424938 /nfs/dbraw/zinc/42/49/38/630424938.db2.gz IUNDGNQFWVRFSY-MEBBXXQBSA-N 0 0 317.414 3.154 20 10 DGCDRN C[C@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@H](c2ccsc2)O1 ZINC000841300912 630425022 /nfs/dbraw/zinc/42/50/22/630425022.db2.gz WORJLHXRMQEWGS-XHDPSFHLSA-N 0 0 317.414 3.324 20 10 DGCDRN CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)Nc1ccc(N)cc1 ZINC000841299853 630425088 /nfs/dbraw/zinc/42/50/88/630425088.db2.gz IYCLLCMDJORMSC-DOMZBBRYSA-N 0 0 305.422 3.232 20 10 DGCDRN CCc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccc(N)cc1 ZINC000841301269 630425576 /nfs/dbraw/zinc/42/55/76/630425576.db2.gz HUUOJDKXGRQUQQ-INIZCTEOSA-N 0 0 311.385 3.477 20 10 DGCDRN COCCN(Cc1cccs1)C(=O)Nc1ccc(N)cc1 ZINC000841302367 630425612 /nfs/dbraw/zinc/42/56/12/630425612.db2.gz VACLWBDMMDGUEA-UHFFFAOYSA-N 0 0 305.403 3.011 20 10 DGCDRN Nc1ccc(CCNC(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000841615275 630448578 /nfs/dbraw/zinc/44/85/78/630448578.db2.gz WTTWDHYPGLJCTJ-GOSISDBHSA-N 0 0 309.413 3.188 20 10 DGCDRN C[C@@H](CCc1ccccc1)NC(=O)NCCc1ccc(N)cc1 ZINC000841613369 630448645 /nfs/dbraw/zinc/44/86/45/630448645.db2.gz ZRYYASVSUFGRBO-HNNXBMFYSA-N 0 0 311.429 3.132 20 10 DGCDRN CC(C)C(=O)N1CCC([NH2+][C@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841743543 630461249 /nfs/dbraw/zinc/46/12/49/630461249.db2.gz AVQJQVVBBZLCQI-GFCCVEGCSA-N 0 0 324.852 3.343 20 10 DGCDRN C[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(Cl)cc1[O-] ZINC000841745770 630461587 /nfs/dbraw/zinc/46/15/87/630461587.db2.gz SSGADGWUONCWDU-NSHDSACASA-N 0 0 311.809 3.382 20 10 DGCDRN C[C@H](Nc1ccc(N(C)CCO)cn1)c1ccc(Cl)cc1O ZINC000841749376 630461888 /nfs/dbraw/zinc/46/18/88/630461888.db2.gz DLRKBVAZNQGZTJ-NSHDSACASA-N 0 0 321.808 3.042 20 10 DGCDRN CCOC(CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])OCC ZINC000841751258 630462263 /nfs/dbraw/zinc/46/22/63/630462263.db2.gz GUXQDKLBSAWSLJ-NSHDSACASA-N 0 0 301.814 3.485 20 10 DGCDRN COc1ccc(C[NH2+][C@@H](CSCC=C(C)C)C(=O)[O-])cc1C ZINC000841810585 630467132 /nfs/dbraw/zinc/46/71/32/630467132.db2.gz JFUUUFSVXNXTMA-HNNXBMFYSA-N 0 0 323.458 3.246 20 10 DGCDRN O=C([O-])[C@H](CC1CCC1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000841818932 630468641 /nfs/dbraw/zinc/46/86/41/630468641.db2.gz UBSSHWMINMQJFV-SFHVURJKSA-N 0 0 316.445 3.410 20 10 DGCDRN Cc1ccccc1[C@H]1C[C@H](NC(=O)NCCc2ccc(N)cc2)C1 ZINC000841897436 630474912 /nfs/dbraw/zinc/47/49/12/630474912.db2.gz ZCLXVIYTSMBVCA-SAABIXHNSA-N 0 0 323.440 3.365 20 10 DGCDRN C[C@@H]1CC[C@@]2(CCN(C(=O)NCCc3ccc(N)cc3)C2)C1 ZINC000841959007 630477129 /nfs/dbraw/zinc/47/71/29/630477129.db2.gz KECXVUGUOILCLR-RDTXWAMCSA-N 0 0 301.434 3.033 20 10 DGCDRN Cc1ccc(C)c(CN(C)C(=O)NCCc2ccc(N)cc2)c1 ZINC000841959406 630477133 /nfs/dbraw/zinc/47/71/33/630477133.db2.gz NTTBHAJWPXFSLK-UHFFFAOYSA-N 0 0 311.429 3.270 20 10 DGCDRN C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)[C@H]2CCCC[C@H]12 ZINC000841960941 630477230 /nfs/dbraw/zinc/47/72/30/630477230.db2.gz YALVSZPMWFWBRE-XYPHTWIQSA-N 0 0 301.434 3.031 20 10 DGCDRN C[C@@H](CN(C)C(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC000841958320 630477260 /nfs/dbraw/zinc/47/72/60/630477260.db2.gz ZIBCNGQCWUNTGC-HNNXBMFYSA-N 0 0 311.429 3.256 20 10 DGCDRN CC[C@H](NC(=O)NCc1cc(OC)ccc1O)[C@@H]1CC1(C)C ZINC000842180486 630503361 /nfs/dbraw/zinc/50/33/61/630503361.db2.gz OZWDDMXACJLVGU-KBPBESRZSA-N 0 0 306.406 3.025 20 10 DGCDRN CC[C@@H](NC(=O)NCc1cccc(OC)c1O)[C@@H]1CC1(C)C ZINC000842190038 630504745 /nfs/dbraw/zinc/50/47/45/630504745.db2.gz KTLOCMBHOSVIGN-QWHCGFSZSA-N 0 0 306.406 3.025 20 10 DGCDRN CCCc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)s1 ZINC000867301802 630554605 /nfs/dbraw/zinc/55/46/05/630554605.db2.gz FEMYLIUSLZXTIY-NSHDSACASA-N 0 0 319.426 3.473 20 10 DGCDRN CCS[C@@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)C(C)C ZINC000104900725 630574017 /nfs/dbraw/zinc/57/40/17/630574017.db2.gz GLJMYYILDODKHN-XHDPSFHLSA-N 0 0 311.447 3.356 20 10 DGCDRN CCS[C@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)C(C)C ZINC000104900727 630574032 /nfs/dbraw/zinc/57/40/32/630574032.db2.gz GLJMYYILDODKHN-ABAIWWIYSA-N 0 0 311.447 3.356 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CCS[C@H]2C)c1 ZINC000842778895 630575228 /nfs/dbraw/zinc/57/52/28/630575228.db2.gz ONDFGJYDJFBRCC-CABZTGNLSA-N 0 0 316.264 3.447 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)[C@@H](F)C(C)C)C2)cc1 ZINC000842874278 630588108 /nfs/dbraw/zinc/58/81/08/630588108.db2.gz BKGDOKWEJILYCQ-CJNGLKHVSA-N 0 0 309.381 3.059 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)/C=C\C3CC3)C2)cc1 ZINC000842880023 630588484 /nfs/dbraw/zinc/58/84/84/630588484.db2.gz VPZSMLOHALLMGB-KHSJVXASSA-N 0 0 301.386 3.031 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)CC(F)F)c1 ZINC000842891027 630591058 /nfs/dbraw/zinc/59/10/58/630591058.db2.gz WIRZYYVPTUCHKP-NXEZZACHSA-N 0 0 301.333 3.121 20 10 DGCDRN CC[C@@H](Nc1ccc2c(c1)nnn2C)c1ccc(F)cc1O ZINC000842900252 630592329 /nfs/dbraw/zinc/59/23/29/630592329.db2.gz GQZHQMRAYGOUCG-CYBMUJFWSA-N 0 0 300.337 3.376 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1COC[C@H]1OC)c1ccc(Cl)c(Cl)c1[O-] ZINC000842912770 630593059 /nfs/dbraw/zinc/59/30/59/630593059.db2.gz VVQHNYBMRWKPMH-QJPTWQEYSA-N 0 0 320.216 3.154 20 10 DGCDRN Cn1c2ccc(OC(=O)[C@H]3CCC(=O)C3)cc2c2c1CCCC2 ZINC000843020291 630604357 /nfs/dbraw/zinc/60/43/57/630604357.db2.gz DRSQFBYAGXETAL-LBPRGKRZSA-N 0 0 311.381 3.332 20 10 DGCDRN Cn1cncc1C(=O)Oc1ccc2c(c1)c1c(n2C)CCCC1 ZINC000843021362 630604650 /nfs/dbraw/zinc/60/46/50/630604650.db2.gz PCDRSVWCLULVBD-UHFFFAOYSA-N 0 0 309.369 3.010 20 10 DGCDRN CCN(CC)c1ccc(C[NH+]2CCC(C)(C(=O)[O-])CC2)cc1F ZINC000843041372 630607242 /nfs/dbraw/zinc/60/72/42/630607242.db2.gz QXBOUEVUHKBASL-UHFFFAOYSA-N 0 0 322.424 3.359 20 10 DGCDRN COc1cc(Cl)cc(CN2CCNc3ccccc32)c1O ZINC000843124896 630616307 /nfs/dbraw/zinc/61/63/07/630616307.db2.gz OVJJPLGVORHZLX-UHFFFAOYSA-N 0 0 304.777 3.486 20 10 DGCDRN CC[C@H](C)C[C@@H]1NC(=O)N([C@@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000843307173 630644718 /nfs/dbraw/zinc/64/47/18/630644718.db2.gz CXCCZFSLBWGVBS-XEZPLFJOSA-N 0 0 317.433 3.170 20 10 DGCDRN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])[C@@H]1SC ZINC000843430414 630657499 /nfs/dbraw/zinc/65/74/99/630657499.db2.gz UDMARJYNRWTTGS-BNOWGMLFSA-N 0 0 319.829 3.183 20 10 DGCDRN CN(Cc1cc2n(n1)CCC2)Cc1ccc(N2CCCCC2)cc1 ZINC000844268818 630714871 /nfs/dbraw/zinc/71/48/71/630714871.db2.gz CVRUFSLMXALUOA-UHFFFAOYSA-N 0 0 324.472 3.452 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)Nc2ccccc2)cc1 ZINC000844278277 630715503 /nfs/dbraw/zinc/71/55/03/630715503.db2.gz BDTOKNQIJPEJAF-UHFFFAOYSA-N 0 0 313.401 3.295 20 10 DGCDRN CCN(Cc1ccccc1)C(=O)CN(C)c1ccc(OC)cc1 ZINC000844353061 630720669 /nfs/dbraw/zinc/72/06/69/630720669.db2.gz FHUGVSFLOTZHSY-UHFFFAOYSA-N 0 0 312.413 3.180 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)C=C2CCCC2)cc1 ZINC000844852952 630943194 /nfs/dbraw/zinc/94/31/94/630943194.db2.gz AXIJWQQDAWNGRP-UHFFFAOYSA-N 0 0 302.418 3.090 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CC[C@H](C)C2)cc1 ZINC000844856259 630945463 /nfs/dbraw/zinc/94/54/63/630945463.db2.gz MLXVLGPHAPJDDN-LSDHHAIUSA-N 0 0 304.434 3.026 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1CC1(Cl)Cl ZINC000844859204 630948202 /nfs/dbraw/zinc/94/82/02/630948202.db2.gz DAEDXRPCNZBENZ-QMMMGPOBSA-N 0 0 323.607 3.039 20 10 DGCDRN Cc1cc(C(=O)COC(=O)[C@@H]2C[C@@H]2C)c(C)n1-c1ccccc1 ZINC000005405669 631018996 /nfs/dbraw/zinc/01/89/96/631018996.db2.gz PFLWWVWOCULFLL-BLLLJJGKSA-N 0 0 311.381 3.476 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC12CCCC2 ZINC000845001876 631030469 /nfs/dbraw/zinc/03/04/69/631030469.db2.gz FMIYFLJCJAIDTP-UHFFFAOYSA-N 0 0 311.429 3.291 20 10 DGCDRN O=C(NCCCSc1nccs1)NC1CC2(CCC2)C1 ZINC000845047070 631055572 /nfs/dbraw/zinc/05/55/72/631055572.db2.gz QQHGYRISMOGUET-UHFFFAOYSA-N 0 0 311.476 3.257 20 10 DGCDRN CCN(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCCOC1 ZINC000845126035 631086902 /nfs/dbraw/zinc/08/69/02/631086902.db2.gz UQGDRMZWYDTNTF-RHSMWYFYSA-N 0 0 319.449 3.024 20 10 DGCDRN C[C@@H](NC(=O)N1CCCC(F)(F)C1)c1ccc(N(C)C)cc1 ZINC000845124616 631087033 /nfs/dbraw/zinc/08/70/33/631087033.db2.gz IJEFSNSAYJIEOC-GFCCVEGCSA-N 0 0 311.376 3.254 20 10 DGCDRN CO[C@@H]1CCCC[C@H]1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000845125976 631087159 /nfs/dbraw/zinc/08/71/59/631087159.db2.gz SNZOQXRBNXQXBL-KBRIMQKVSA-N 0 0 319.449 3.070 20 10 DGCDRN CCN(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@H]1CCCOC1 ZINC000845126037 631087239 /nfs/dbraw/zinc/08/72/39/631087239.db2.gz UQGDRMZWYDTNTF-YOEHRIQHSA-N 0 0 319.449 3.024 20 10 DGCDRN CSC1(CNC(=O)NCc2cc(Cl)ccc2O)CCC1 ZINC000845156548 631102423 /nfs/dbraw/zinc/10/24/23/631102423.db2.gz GBYLUCXLAZQGBV-UHFFFAOYSA-N 0 0 314.838 3.131 20 10 DGCDRN C[C@H](CNC(=O)NCc1cc(Cl)ccc1O)CC(F)(F)F ZINC000845261407 631157020 /nfs/dbraw/zinc/15/70/20/631157020.db2.gz IIMZAYDKYJWMLN-QMMMGPOBSA-N 0 0 324.730 3.433 20 10 DGCDRN COc1ccsc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000106011266 631191781 /nfs/dbraw/zinc/19/17/81/631191781.db2.gz ZQYXKMASTGYXAN-UHFFFAOYSA-N 0 0 304.415 3.095 20 10 DGCDRN CSCC1(CC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000845833302 631198174 /nfs/dbraw/zinc/19/81/74/631198174.db2.gz FGWXSHSPKVYWFZ-UHFFFAOYSA-N 0 0 319.470 3.421 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)CC2(CSC)CC2)c1 ZINC000845833960 631198225 /nfs/dbraw/zinc/19/82/25/631198225.db2.gz PEWLZBNEYNPJIE-NSHDSACASA-N 0 0 309.431 3.111 20 10 DGCDRN C[C@@]1(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C[C@@]1(F)Cl ZINC000846039115 631207505 /nfs/dbraw/zinc/20/75/05/631207505.db2.gz UEZFOZWJTKXTKQ-OLZOCXBDSA-N 0 0 302.733 3.095 20 10 DGCDRN CCc1nn(C)c(Cl)c1C[NH2+]Cc1cc(Cl)ccc1O ZINC000846057184 631208675 /nfs/dbraw/zinc/20/86/75/631208675.db2.gz DFNJXHSNHVTPAA-UHFFFAOYSA-N 0 0 314.216 3.285 20 10 DGCDRN CC(C)(C)OC(=O)N1CCCCN1Cc1cc(F)ccc1O ZINC000846070842 631209249 /nfs/dbraw/zinc/20/92/49/631209249.db2.gz YSCIMJHMBHFPNO-UHFFFAOYSA-N 0 0 310.369 3.279 20 10 DGCDRN COc1cccc([C@@H](C)NCc2csc([C@@H](C)OC)n2)c1O ZINC000846148824 631212248 /nfs/dbraw/zinc/21/22/48/631212248.db2.gz HWLXGEDIUQTXDC-GHMZBOCLSA-N 0 0 322.430 3.416 20 10 DGCDRN COc1cccc([C@@H](C)N[C@H](C)c2nnc(C(C)C)[nH]2)c1O ZINC000846155732 631212573 /nfs/dbraw/zinc/21/25/73/631212573.db2.gz CIDGVCYMGYGHQO-GHMZBOCLSA-N 0 0 304.394 3.054 20 10 DGCDRN CCNC(=O)c1cccc(N[C@H](C)c2cccc(OC)c2O)c1 ZINC000846159995 631212757 /nfs/dbraw/zinc/21/27/57/631212757.db2.gz OWPKPSOWXHJEIZ-GFCCVEGCSA-N 0 0 314.385 3.324 20 10 DGCDRN COc1cccc([C@@H](C)Nc2ccc(COCCO)cc2)c1O ZINC000846170681 631213501 /nfs/dbraw/zinc/21/35/01/631213501.db2.gz CGPMNWDSPGNRCT-CYBMUJFWSA-N 0 0 317.385 3.083 20 10 DGCDRN CC[C@H](N[C@H](C)c1cccc(OC)c1O)C(=O)OC(C)(C)C ZINC000846174861 631213515 /nfs/dbraw/zinc/21/35/15/631213515.db2.gz VATTXWOJJAUFBV-YPMHNXCESA-N 0 0 309.406 3.172 20 10 DGCDRN C[C@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000846190455 631214313 /nfs/dbraw/zinc/21/43/13/631214313.db2.gz XYNZBCYAPPDBTO-APPDUMDISA-N 0 0 320.389 3.156 20 10 DGCDRN Cc1cc(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])ccc1N1CCCCC1 ZINC000846224560 631215677 /nfs/dbraw/zinc/21/56/77/631215677.db2.gz QFAWFAVSVRHOFS-GOSISDBHSA-N 0 0 316.445 3.424 20 10 DGCDRN Cc1cc(C[NH+]2CCC(CCC(=O)[O-])CC2)ccc1N(C)C ZINC000846225967 631215731 /nfs/dbraw/zinc/21/57/31/631215731.db2.gz SFDPNDLFQGXUKW-UHFFFAOYSA-N 0 0 304.434 3.138 20 10 DGCDRN Cc1cc(C[N@@H+]2CCC[C@H]2C(=O)[O-])ccc1N1CCCCC1 ZINC000846228835 631215921 /nfs/dbraw/zinc/21/59/21/631215921.db2.gz QMQQKOVAFHVCHP-KRWDZBQOSA-N 0 0 302.418 3.034 20 10 DGCDRN Cc1cc(C[N@@H+]2CCC[C@@H]2CC(=O)[O-])ccc1N1CCCCC1 ZINC000846274215 631218888 /nfs/dbraw/zinc/21/88/88/631218888.db2.gz JDGDKUZJPBNHRK-QGZVFWFLSA-N 0 0 316.445 3.424 20 10 DGCDRN Cc1cc(C[N@@H+]2CCC[C@@H](CCC(=O)[O-])C2)ccc1N(C)C ZINC000846281754 631220864 /nfs/dbraw/zinc/22/08/64/631220864.db2.gz QRDOUFWBNULVLV-HNNXBMFYSA-N 0 0 304.434 3.138 20 10 DGCDRN Nc1ccc(NC(=O)NCCC[C@H]2CC2(Cl)Cl)cc1 ZINC000846310577 631225746 /nfs/dbraw/zinc/22/57/46/631225746.db2.gz MKAYZISUHWUIHQ-VIFPVBQESA-N 0 0 302.205 3.364 20 10 DGCDRN CCS[C@@H](C(=O)NCc1cc(Cl)ccc1O)C(C)C ZINC000846472379 631248908 /nfs/dbraw/zinc/24/89/08/631248908.db2.gz JBIMXVFLERSLPM-CYBMUJFWSA-N 0 0 301.839 3.440 20 10 DGCDRN CC[C@H]1C[C@H](CC(=O)NCc2cc(Cl)ccc2O)CCO1 ZINC000846473058 631249513 /nfs/dbraw/zinc/24/95/13/631249513.db2.gz IBBCKTJQPNIDFW-RISCZKNCSA-N 0 0 311.809 3.257 20 10 DGCDRN C[C@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)CCc2ccccc21 ZINC000846515854 631254311 /nfs/dbraw/zinc/25/43/11/631254311.db2.gz FHLVKLNGXKCWHK-LEJCZOIISA-N 0 0 323.392 3.299 20 10 DGCDRN COC(=O)C1(c2csc(-c3ccc(N(C)C)cc3)n2)CC1 ZINC000846760026 631297752 /nfs/dbraw/zinc/29/77/52/631297752.db2.gz ZGGSMFAWWACLAS-UHFFFAOYSA-N 0 0 302.399 3.081 20 10 DGCDRN COc1ccc(N(Cc2cc(C(C)=O)no2)C(C)C)cc1F ZINC000846822297 631318219 /nfs/dbraw/zinc/31/82/19/631318219.db2.gz MNJJAAQVVVKKAO-UHFFFAOYSA-N 0 0 306.337 3.440 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(C(F)F)nc1 ZINC000846875130 631336326 /nfs/dbraw/zinc/33/63/26/631336326.db2.gz DODXZDOZHRDGNQ-UHFFFAOYSA-N 0 0 319.355 3.324 20 10 DGCDRN Cc1nn(C(C)C)cc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000846976124 631371776 /nfs/dbraw/zinc/37/17/76/631371776.db2.gz DSIDQKWVXOFCQS-ZDUSSCGKSA-N 0 0 314.433 3.329 20 10 DGCDRN CN(CCCN1CCCC1=O)c1ccc(-c2nccs2)cc1 ZINC000846991173 631375332 /nfs/dbraw/zinc/37/53/32/631375332.db2.gz IUZDLLIATYMQBG-UHFFFAOYSA-N 0 0 315.442 3.259 20 10 DGCDRN CCn1nc(C)c(CN(C)c2ccc(-c3nccs3)cc2)n1 ZINC000846991952 631376263 /nfs/dbraw/zinc/37/62/63/631376263.db2.gz HZEZFJWUJFRYTA-UHFFFAOYSA-N 0 0 313.430 3.366 20 10 DGCDRN CN(CC(=O)NC(C)(C)C)c1ccc(-c2nccs2)cc1 ZINC000846992940 631376326 /nfs/dbraw/zinc/37/63/26/631376326.db2.gz OZHNDSZOMPECNN-UHFFFAOYSA-N 0 0 303.431 3.161 20 10 DGCDRN COc1c(C)cccc1CNC(=O)N(C)Cc1ccccc1O ZINC000847419294 631474675 /nfs/dbraw/zinc/47/46/75/631474675.db2.gz RMJNVFUXBAKLAQ-UHFFFAOYSA-N 0 0 314.385 3.051 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(OC)o2)cc1F ZINC000847475537 631479978 /nfs/dbraw/zinc/47/99/78/631479978.db2.gz JUIISAZOUIMQIK-UHFFFAOYSA-N 0 0 320.364 3.204 20 10 DGCDRN C[C@H](C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)C(=O)[O-] ZINC000848639704 631715667 /nfs/dbraw/zinc/71/56/67/631715667.db2.gz JSLWLEKRTAZMIZ-OAHLLOKOSA-N 0 0 324.424 3.060 20 10 DGCDRN Cc1cc(O)c(C[NH2+][C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1C ZINC000848640332 631715695 /nfs/dbraw/zinc/71/56/95/631715695.db2.gz QBUYKKXGTPCWCK-AEGPPILISA-N 0 0 305.418 3.234 20 10 DGCDRN CC(C)Oc1nc(N(C)Cc2ccccc2O)ccc1[N+](=O)[O-] ZINC000848674557 631725220 /nfs/dbraw/zinc/72/52/20/631725220.db2.gz FTOCCRVYCTYPBT-UHFFFAOYSA-N 0 0 317.345 3.119 20 10 DGCDRN CCc1cccc(CNc2ccc(CS(C)(=O)=O)cc2)c1O ZINC000848892203 631774270 /nfs/dbraw/zinc/77/42/70/631774270.db2.gz OGZBNUGXEQBLST-UHFFFAOYSA-N 0 0 319.426 3.111 20 10 DGCDRN CCc1cccc(CNc2cccc(C[S@](C)=O)c2)c1O ZINC000848890824 631774288 /nfs/dbraw/zinc/77/42/88/631774288.db2.gz MBFOHSLGWGVXMY-NRFANRHFSA-N 0 0 303.427 3.445 20 10 DGCDRN CCc1cccc(CN[C@@H](CO)c2c(F)cccc2F)c1O ZINC000848896681 631777366 /nfs/dbraw/zinc/77/73/66/631777366.db2.gz HEZRSBMOMGVVHQ-HNNXBMFYSA-N 0 0 307.340 3.056 20 10 DGCDRN CCc1cccc(CNc2ccccc2C[S@](C)=O)c1O ZINC000848903265 631780336 /nfs/dbraw/zinc/78/03/36/631780336.db2.gz OWKPNQNHUYIWPW-NRFANRHFSA-N 0 0 303.427 3.445 20 10 DGCDRN CCc1cccc(CN[C@@H](C(=O)OC)c2cccs2)c1O ZINC000848905620 631780516 /nfs/dbraw/zinc/78/05/16/631780516.db2.gz KLWJIGJUENVCMS-CQSZACIVSA-N 0 0 305.399 3.020 20 10 DGCDRN Cn1c(Cl)ncc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000848911980 631784531 /nfs/dbraw/zinc/78/45/31/631784531.db2.gz LQNKXULMGSDGLM-UHFFFAOYSA-N 0 0 320.607 3.376 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000848927826 631790822 /nfs/dbraw/zinc/79/08/22/631790822.db2.gz OIOMPURRZWRXIO-GJZGRUSLSA-N 0 0 312.816 3.291 20 10 DGCDRN Oc1ccc(F)cc1CN[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000848928195 631791983 /nfs/dbraw/zinc/79/19/83/631791983.db2.gz WWZZJEVBOBYFAM-YPMHNXCESA-N 0 0 307.287 3.121 20 10 DGCDRN CN(C)c1ccc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)cc1 ZINC000849345349 631898271 /nfs/dbraw/zinc/89/82/71/631898271.db2.gz IHLXAIVZGHICMP-OKZBNKHCSA-N 0 0 316.445 3.218 20 10 DGCDRN CC[C@@H](COC(=O)/C=C/c1ccc(O)c(O)c1)CC(F)F ZINC000849744678 631956991 /nfs/dbraw/zinc/95/69/91/631956991.db2.gz FSQAQRKOBZIMHL-DFVUYQKZSA-N 0 0 300.301 3.336 20 10 DGCDRN COc1cccc(OC)c1CNCc1c(O)cccc1Cl ZINC000850355360 632123916 /nfs/dbraw/zinc/12/39/16/632123916.db2.gz GUNXYZDFBAEFCB-UHFFFAOYSA-N 0 0 307.777 3.353 20 10 DGCDRN CCO[C@H]1C[C@H]([NH2+]Cc2cc(C)cc(Br)c2[O-])C1 ZINC000850360712 632124387 /nfs/dbraw/zinc/12/43/87/632124387.db2.gz NPYNTYQVZWWSGP-HAQNSBGRSA-N 0 0 314.223 3.120 20 10 DGCDRN CCn1cc(CNCc2cc(C)n(-c3cccc(C)c3)c2C)nn1 ZINC000850366321 632127062 /nfs/dbraw/zinc/12/70/62/632127062.db2.gz SIRORORPJUQQOU-UHFFFAOYSA-N 0 0 323.444 3.304 20 10 DGCDRN C[C@H]1CCC[C@H](C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])O1 ZINC000850379802 632133117 /nfs/dbraw/zinc/13/31/17/632133117.db2.gz YFRFNKYCFXIVRL-JOYOIKCWSA-N 0 0 314.769 3.001 20 10 DGCDRN c1cc(N2CCOCC2)ccc1CNc1ccc2c(c1)CCOC2 ZINC000850382046 632134106 /nfs/dbraw/zinc/13/41/06/632134106.db2.gz LVPPDBPNCYAYRY-UHFFFAOYSA-N 0 0 324.424 3.208 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000850388773 632136918 /nfs/dbraw/zinc/13/69/18/632136918.db2.gz PLOUBMFZSWKFLU-NWDGAFQWSA-N 0 0 302.201 3.092 20 10 DGCDRN COc1ccc(CN[C@H](CO)c2ccc(F)cc2F)cc1C ZINC000850410414 632144319 /nfs/dbraw/zinc/14/43/19/632144319.db2.gz MEIYXWBPUHIGOM-MRXNPFEDSA-N 0 0 307.340 3.105 20 10 DGCDRN COC[C@H](CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])OC ZINC000850485439 632166949 /nfs/dbraw/zinc/16/69/49/632166949.db2.gz IDLZLUDAEYGXOY-UWVGGRQHSA-N 0 0 322.232 3.401 20 10 DGCDRN COC[C@@H](CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])OC ZINC000850485686 632167690 /nfs/dbraw/zinc/16/76/90/632167690.db2.gz MNCKLVRUPSKNPN-WDEREUQCSA-N 0 0 321.339 3.113 20 10 DGCDRN COC(=O)N(C)CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000850548000 632189214 /nfs/dbraw/zinc/18/92/14/632189214.db2.gz MFXLVPASEUNERJ-MRVPVSSYSA-N 0 0 321.204 3.048 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850550990 632190066 /nfs/dbraw/zinc/19/00/66/632190066.db2.gz FXQPENNIUNFHNR-PRHODGIISA-N 0 0 300.305 3.242 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(F)cc1[O-] ZINC000850553886 632191259 /nfs/dbraw/zinc/19/12/59/632191259.db2.gz ALMHKVAQDNCQKW-WFASDCNBSA-N 0 0 322.424 3.219 20 10 DGCDRN C[C@@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1cc(F)cc(F)c1[O-] ZINC000850565938 632196585 /nfs/dbraw/zinc/19/65/85/632196585.db2.gz HYLPDLWPLJNBQD-SECBINFHSA-N 0 0 321.314 3.261 20 10 DGCDRN C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000850573481 632199478 /nfs/dbraw/zinc/19/94/78/632199478.db2.gz MQUJONXAZGUTOW-VBHSOAQHSA-N 0 0 303.377 3.347 20 10 DGCDRN Cc1ccc(Cl)cc1NC(=O)CN(C)Cc1ccccc1O ZINC000109773390 632316109 /nfs/dbraw/zinc/31/61/09/632316109.db2.gz LWFCAWBJXMJKJL-UHFFFAOYSA-N 0 0 318.804 3.425 20 10 DGCDRN CN(CC(=O)Nc1cc(Cl)ccc1F)Cc1ccccc1O ZINC000109772608 632316321 /nfs/dbraw/zinc/31/63/21/632316321.db2.gz XDGIJACVWIJAEV-UHFFFAOYSA-N 0 0 322.767 3.255 20 10 DGCDRN Cc1cc(C(=O)O[C@@H](C)c2nccn2C)c(C)n1-c1ccccn1 ZINC000851580853 632451574 /nfs/dbraw/zinc/45/15/74/632451574.db2.gz MCQDEYCPLQAZDW-AWEZNQCLSA-N 0 0 324.384 3.141 20 10 DGCDRN CCN(C)c1ccc(C[N@H+]2[C@H](C)[C@H](C(=O)[O-])CC[C@@H]2C)cc1 ZINC000851708943 632471808 /nfs/dbraw/zinc/47/18/08/632471808.db2.gz OREDHMOYMSJQCG-JJRVBVJISA-N 0 0 304.434 3.216 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)Nc2ccc(Cl)nc2)cc1 ZINC000851779990 632489953 /nfs/dbraw/zinc/48/99/53/632489953.db2.gz DYBRFHJDFHKQQW-UHFFFAOYSA-N 0 0 319.792 3.209 20 10 DGCDRN CCN(Cc1cc(C)nc(C)n1)c1ccc(OC)c(OC)c1 ZINC000851827675 632504625 /nfs/dbraw/zinc/50/46/25/632504625.db2.gz ICZTWAFUSCYKKU-UHFFFAOYSA-N 0 0 301.390 3.137 20 10 DGCDRN COc1ccc2c(c1)CCCCN2Cc1onc(C)c1[N+](=O)[O-] ZINC000851884403 632513774 /nfs/dbraw/zinc/51/37/74/632513774.db2.gz QBCUAKDTJUJRPQ-UHFFFAOYSA-N 0 0 317.345 3.243 20 10 DGCDRN C[C@@H](NCC(F)(F)Br)c1ccc(N(C)C)cc1 ZINC000851950292 632527958 /nfs/dbraw/zinc/52/79/58/632527958.db2.gz NIRWCCZUISUCRR-SECBINFHSA-N 0 0 307.182 3.391 20 10 DGCDRN COc1ccc(N(Cc2cn(C(C)(C)C)nn2)CC2CC2)cc1 ZINC000852136471 632561447 /nfs/dbraw/zinc/56/14/47/632561447.db2.gz YDTJRTCAVFJJBA-UHFFFAOYSA-N 0 0 314.433 3.458 20 10 DGCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2CCC(OC)OC ZINC000852186579 632568792 /nfs/dbraw/zinc/56/87/92/632568792.db2.gz FTWUEDIMQPJIPF-OAHLLOKOSA-N 0 0 307.434 3.339 20 10 DGCDRN C[C@H](NC(=O)N1CC[C@@H](C)O[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000852261287 632577943 /nfs/dbraw/zinc/57/79/43/632577943.db2.gz OZBPTZNTHYKYEA-ILXRZTDVSA-N 0 0 319.449 3.023 20 10 DGCDRN C[C@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1cscn1 ZINC000852261390 632577986 /nfs/dbraw/zinc/57/79/86/632577986.db2.gz RCFQHZKWAPMMLA-RYUDHWBXSA-N 0 0 318.446 3.331 20 10 DGCDRN CCC(C)(C)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852280966 632580438 /nfs/dbraw/zinc/58/04/38/632580438.db2.gz ZYSXZGYQTBXKNB-CQSZACIVSA-N 0 0 319.449 3.009 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CCO[C@](C)(C3CC3)C2)c1O ZINC000852322404 632586280 /nfs/dbraw/zinc/58/62/80/632586280.db2.gz IULQPQGIYCHOIY-KRWDZBQOSA-N 0 0 323.820 3.249 20 10 DGCDRN Cc1cc(F)ccc1C[C@H](C)NC(=O)NCc1ccccc1O ZINC000852463379 632606192 /nfs/dbraw/zinc/60/61/92/632606192.db2.gz QIBQCXUZRUVNDG-ZDUSSCGKSA-N 0 0 316.376 3.270 20 10 DGCDRN COC1(C(=O)NCc2c(O)ccc3c2CCCC3)CCCCC1 ZINC000184991920 660197202 /nfs/dbraw/zinc/19/72/02/660197202.db2.gz HJVNCHQFCYLGMD-UHFFFAOYSA-N 0 0 317.429 3.237 20 10 DGCDRN CN1CCN(C(=O)/C=C/c2cccnc2)c2cc(Cl)ccc21 ZINC000173671432 659396342 /nfs/dbraw/zinc/39/63/42/659396342.db2.gz KHOVHTCTNVFPOY-QPJJXVBHSA-N 0 0 313.788 3.231 20 10 DGCDRN O=C(NCc1ccccc1O)c1ccc(F)c(Br)c1 ZINC000231659921 659396672 /nfs/dbraw/zinc/39/66/72/659396672.db2.gz TUQVKAIBFAKPJA-UHFFFAOYSA-N 0 0 324.149 3.224 20 10 DGCDRN Cc1cc(NS(=O)(=O)c2cc(C)c(F)c(C)c2)ccc1O ZINC000182477042 660056679 /nfs/dbraw/zinc/05/66/79/660056679.db2.gz KMCPFMUPOANURS-UHFFFAOYSA-N 0 0 309.362 3.257 20 10 DGCDRN CSc1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2)cc1 ZINC000182477474 660056870 /nfs/dbraw/zinc/05/68/70/660056870.db2.gz RJUUVZYRDMROKY-UHFFFAOYSA-N 0 0 309.412 3.223 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)Nc1nnc(C2CC2)s1 ZINC000929230578 660435888 /nfs/dbraw/zinc/43/58/88/660435888.db2.gz XEAFELOMHYNDJN-UHFFFAOYSA-N 0 0 324.793 3.096 20 10 DGCDRN Cc1cc(CN(C)C(=O)c2cc(C)n(-c3ccccn3)c2C)no1 ZINC000075645790 660579712 /nfs/dbraw/zinc/57/97/12/660579712.db2.gz VOABIIJJZWTCII-UHFFFAOYSA-N 0 0 324.384 3.058 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccn(C)c2=O)cc1 ZINC000074020567 660592299 /nfs/dbraw/zinc/59/22/99/660592299.db2.gz DDPOQRXDKHSGRO-UHFFFAOYSA-N 0 0 321.380 3.045 20 10 DGCDRN C[C@@]1([NH2+]Cc2cc(Cl)cc(Br)c2[O-])CCOC1 ZINC000708057510 660916878 /nfs/dbraw/zinc/91/68/78/660916878.db2.gz VQRNKCOGTQSXOX-GFCCVEGCSA-N 0 0 320.614 3.077 20 10 DGCDRN COCC[C@H](C)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708099531 660918085 /nfs/dbraw/zinc/91/80/85/660918085.db2.gz QAVCSCPMSPPINJ-QMMMGPOBSA-N 0 0 322.630 3.323 20 10 DGCDRN C[C@H]1N(Cc2ccc(Br)cc2O)CCOC1(C)C ZINC000708321355 660920264 /nfs/dbraw/zinc/92/02/64/660920264.db2.gz SAEJMIFMEKXSCH-SNVBAGLBSA-N 0 0 314.223 3.154 20 10 DGCDRN O=C(NCCCSc1nccs1)c1ccc(Cl)o1 ZINC000074136608 660946141 /nfs/dbraw/zinc/94/61/41/660946141.db2.gz KHVHPQVOTSWPMU-UHFFFAOYSA-N 0 0 302.808 3.302 20 10 DGCDRN COc1cc(NC(=O)NCc2ccc(N(C)C)cc2)ccc1F ZINC000187049815 660941610 /nfs/dbraw/zinc/94/16/10/660941610.db2.gz BJLPIZMVABPHQV-UHFFFAOYSA-N 0 0 317.364 3.222 20 10 DGCDRN Cc1ccc2c(c1)CC[C@@H](C(=O)NCc1ccc(N(C)C)cc1)O2 ZINC000792850706 660989068 /nfs/dbraw/zinc/98/90/68/660989068.db2.gz YOXRRCNZMORDSU-IBGZPJMESA-N 0 0 324.424 3.071 20 10 DGCDRN Cc1c(NC(=O)C2=CC(=O)CS2)cccc1NC(=O)N(C)C ZINC000792673947 660979075 /nfs/dbraw/zinc/97/90/75/660979075.db2.gz RFQRHIZZLHTSJB-UHFFFAOYSA-N 0 0 319.386 3.108 20 10 DGCDRN COc1ccc(CNC(=O)NC[C@@H]2CCC[C@@H](C)C2)c(O)c1 ZINC000792903719 660992650 /nfs/dbraw/zinc/99/26/50/660992650.db2.gz KWMYDKYGPLIPLQ-CHWSQXEVSA-N 0 0 306.406 3.026 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H](C)CCC(C)(C)C)c(O)c1 ZINC000792951255 660996605 /nfs/dbraw/zinc/99/66/05/660996605.db2.gz PZYYJQYCLWXDHV-LBPRGKRZSA-N 0 0 308.422 3.415 20 10 DGCDRN CCN(CC1CCC1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000793044470 661001866 /nfs/dbraw/zinc/00/18/66/661001866.db2.gz YALZEJPFYPTHFF-UHFFFAOYSA-N 0 0 313.445 3.394 20 10 DGCDRN Cn1cnc2cc(NCc3ccc4c(c3)sc(=O)n4C)ccc21 ZINC000793052439 661002401 /nfs/dbraw/zinc/00/24/01/661002401.db2.gz UUHFRCNKLTXRIE-UHFFFAOYSA-N 0 0 324.409 3.099 20 10 DGCDRN C[C@H](NC(=O)N1CCC(F)(F)CC1)c1ccc(N(C)C)cc1 ZINC000793061378 661003130 /nfs/dbraw/zinc/00/31/30/661003130.db2.gz HNJZAWIFCVLICV-LBPRGKRZSA-N 0 0 311.376 3.254 20 10 DGCDRN Cc1cc(O)c(CN(CCO)Cc2cccnc2Cl)cc1C ZINC000793366646 661027519 /nfs/dbraw/zinc/02/75/19/661027519.db2.gz QLZGJEAREJDLFL-UHFFFAOYSA-N 0 0 320.820 3.052 20 10 DGCDRN CC[C@@H](C)[C@H](OC)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000793468322 661037282 /nfs/dbraw/zinc/03/72/82/661037282.db2.gz LESFZCIFRRUFEN-DYVFJYSZSA-N 0 0 324.440 3.349 20 10 DGCDRN CC[C@H](C)CC[C@H](O)CC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000793690338 661053722 /nfs/dbraw/zinc/05/37/22/661053722.db2.gz VFFODAZFXTVHCQ-MJBXVCDLSA-N 0 0 323.433 3.155 20 10 DGCDRN CC[C@H](C)CC[C@@H](O)CC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000793690336 661053734 /nfs/dbraw/zinc/05/37/34/661053734.db2.gz VFFODAZFXTVHCQ-MELADBBJSA-N 0 0 323.433 3.155 20 10 DGCDRN Cc1ccc(C(=O)N[C@H]2CCCc3ccc(F)cc32)c(O)c1O ZINC000794058876 661067172 /nfs/dbraw/zinc/06/71/72/661067172.db2.gz JBZDQJVVKUTRNP-HNNXBMFYSA-N 0 0 315.344 3.353 20 10 DGCDRN CON(C[C@H]1CCC[C@H](C)C1)C(=O)c1ccc(C)c(O)c1O ZINC000794326122 661078883 /nfs/dbraw/zinc/07/88/83/661078883.db2.gz FYTUPRWDIYSACZ-AAEUAGOBSA-N 0 0 307.390 3.236 20 10 DGCDRN CCc1ccc([C@@H](C)C(=O)NCc2ccc(OC)cc2O)cc1 ZINC000794373282 661081324 /nfs/dbraw/zinc/08/13/24/661081324.db2.gz IYKRQQHCXZQBNB-CYBMUJFWSA-N 0 0 313.397 3.383 20 10 DGCDRN COc1ccc(CNC(=O)C(C)(C)c2cccc(F)c2)c(O)c1 ZINC000794376177 661081419 /nfs/dbraw/zinc/08/14/19/661081419.db2.gz CHBBIFXMUZUWJG-UHFFFAOYSA-N 0 0 317.360 3.134 20 10 DGCDRN CC[C@H](Cc1ccccc1)C(=O)NCc1ccc(OC)cc1O ZINC000794379796 661081755 /nfs/dbraw/zinc/08/17/55/661081755.db2.gz WIZDUVWPLNOBGY-OAHLLOKOSA-N 0 0 313.397 3.286 20 10 DGCDRN COc1ccc(CNC(=O)c2cccc(Cl)c2F)c(O)c1 ZINC000794378769 661081955 /nfs/dbraw/zinc/08/19/55/661081955.db2.gz DGGRJRXLQSXISO-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN COc1ccc(CNC(=O)C[C@H](C)c2cccc(F)c2)c(O)c1 ZINC000794382231 661082104 /nfs/dbraw/zinc/08/21/04/661082104.db2.gz ZYSUYRCQMSFGIN-LBPRGKRZSA-N 0 0 317.360 3.350 20 10 DGCDRN COc1ccc(CNC(=O)C[C@H](C)c2ccc(F)cc2)c(O)c1 ZINC000794383899 661082350 /nfs/dbraw/zinc/08/23/50/661082350.db2.gz SDBMPWGYDPOEEN-LBPRGKRZSA-N 0 0 317.360 3.350 20 10 DGCDRN CCCN1C(=O)N(Cc2ccc(N(CC)CC)cc2)C(=O)[C@@H]1C ZINC000794771742 661104713 /nfs/dbraw/zinc/10/47/13/661104713.db2.gz JSVZGMWQDCCOHH-AWEZNQCLSA-N 0 0 317.433 3.096 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@](C)(CC)OC)cc1 ZINC000794903343 661113058 /nfs/dbraw/zinc/11/30/58/661113058.db2.gz TUZJKQZTGDYVKB-GOSISDBHSA-N 0 0 306.450 3.306 20 10 DGCDRN COc1ccc(CNC(=S)Nc2ccc(F)cc2)c(O)c1 ZINC000795030916 661122944 /nfs/dbraw/zinc/12/29/44/661122944.db2.gz FSFOGFLWMYMDKO-UHFFFAOYSA-N 0 0 306.362 3.027 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1occ2c1CCC2 ZINC000795204208 661133333 /nfs/dbraw/zinc/13/33/33/661133333.db2.gz MORGNVZQGSAWMM-UHFFFAOYSA-N 0 0 310.397 3.299 20 10 DGCDRN CCOC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000187685732 655630922 /nfs/dbraw/zinc/63/09/22/655630922.db2.gz LINNNGUVMCMTSS-KBPBESRZSA-N 0 0 320.433 3.300 20 10 DGCDRN CCOc1ccc(O)c(C[N@H+](CCOC)Cc2ccccc2)c1 ZINC000160451312 655635653 /nfs/dbraw/zinc/63/56/53/655635653.db2.gz NKWKQECUCIRUAY-UHFFFAOYSA-N 0 0 315.413 3.440 20 10 DGCDRN Oc1cc2c(cc1CN1CCOC[C@@H]1CC(F)F)CCCC2 ZINC000795731632 661170298 /nfs/dbraw/zinc/17/02/98/661170298.db2.gz SVESOPIVGHRVNE-HNNXBMFYSA-N 0 0 311.372 3.127 20 10 DGCDRN Cc1nn(CN(C)Cc2ccc(N(C)C)cc2)c(=S)s1 ZINC000022366996 655682755 /nfs/dbraw/zinc/68/27/55/655682755.db2.gz VAMHJHZKKCCCGH-UHFFFAOYSA-N 0 0 308.476 3.138 20 10 DGCDRN O=C(/C=C\c1cncc(F)c1)N1CCCc2cc(F)c(F)cc21 ZINC000255323268 655699145 /nfs/dbraw/zinc/69/91/45/655699145.db2.gz ZZRZCLNQNINOPM-ARJAWSKDSA-N 0 0 318.298 3.492 20 10 DGCDRN Cc1cc(C(=O)NCc2ccc3c(c2)CCCN3C)cs1 ZINC000795833053 661174772 /nfs/dbraw/zinc/17/47/72/661174772.db2.gz MXKDHYYUXHZIGS-UHFFFAOYSA-N 0 0 300.427 3.369 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3occ4c3CCC4)ccc21 ZINC000795833209 661174846 /nfs/dbraw/zinc/17/48/46/661174846.db2.gz QKPHIEATOGJKQW-UHFFFAOYSA-N 0 0 310.397 3.081 20 10 DGCDRN Cc1ccccc1CNC(=O)COc1ccc(N2CCCC2)cc1 ZINC000178194726 655720036 /nfs/dbraw/zinc/72/00/36/655720036.db2.gz HPEXOBMPXOLVSS-UHFFFAOYSA-N 0 0 324.424 3.290 20 10 DGCDRN COC[C@@H]1CCC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000093337821 655740028 /nfs/dbraw/zinc/74/00/28/655740028.db2.gz VIHSOTJCGBHHMO-LLVKDONJSA-N 0 0 314.223 3.013 20 10 DGCDRN C[C@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC[C@@H]1C ZINC000161298500 655780609 /nfs/dbraw/zinc/78/06/09/655780609.db2.gz NBBRNMJAPKMYDA-STQMWFEESA-N 0 0 307.413 3.079 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1ccc(C(F)(F)F)cc1 ZINC000158895770 655859911 /nfs/dbraw/zinc/85/99/11/655859911.db2.gz JYJIPUFKGAXLPA-UHFFFAOYSA-N 0 0 311.259 3.047 20 10 DGCDRN Cc1cc(C(=O)Nc2cccc(N3CCOCC3)c2)ccc1F ZINC000096733725 655917464 /nfs/dbraw/zinc/91/74/64/655917464.db2.gz FRRJXKULGXZQPD-UHFFFAOYSA-N 0 0 314.360 3.223 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN(C)Cc2c(C)noc2C)c1O ZINC000177252858 655918476 /nfs/dbraw/zinc/91/84/76/655918476.db2.gz OFYCNJSCNLSVLG-UHFFFAOYSA-N 0 0 322.792 3.485 20 10 DGCDRN CCC(=CC(=O)N1CCN(c2ccc(OC)cc2)CC1)CC ZINC000177508682 655929024 /nfs/dbraw/zinc/92/90/24/655929024.db2.gz SHWDVEZZPRHZKF-UHFFFAOYSA-N 0 0 302.418 3.090 20 10 DGCDRN CCONC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000162554841 655966462 /nfs/dbraw/zinc/96/64/62/655966462.db2.gz MIMOUKQGDCPWNH-UHFFFAOYSA-N 0 0 305.422 3.206 20 10 DGCDRN COc1cccc(CNC(=O)/C=C/Sc2ccccc2)c1O ZINC000178245038 655996496 /nfs/dbraw/zinc/99/64/96/655996496.db2.gz FFLIYBNQLQYZFM-ZHACJKMWSA-N 0 0 315.394 3.323 20 10 DGCDRN COCCOc1ccc(NCc2cc(Cl)ccc2O)cn1 ZINC000036978410 661212358 /nfs/dbraw/zinc/21/23/58/661212358.db2.gz FWLJPUGYTKVSGZ-UHFFFAOYSA-N 0 0 308.765 3.078 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCCC12OCCO2 ZINC000715621056 661213243 /nfs/dbraw/zinc/21/32/43/661213243.db2.gz FHDHULDYNGFUHD-LBPRGKRZSA-N 0 0 318.200 3.084 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]C[C@@H]1CCSC1 ZINC000715786908 661214530 /nfs/dbraw/zinc/21/45/30/661214530.db2.gz BOCCYIUWKKQADU-QMMMGPOBSA-N 0 0 320.227 3.137 20 10 DGCDRN COc1ccccc1NC[C@H](O)COCc1ccccc1Cl ZINC000314552686 656081027 /nfs/dbraw/zinc/08/10/27/656081027.db2.gz KUTXHDFRCLQSQY-AWEZNQCLSA-N 0 0 321.804 3.338 20 10 DGCDRN C[C@@H](c1ccccc1F)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180633923 656094045 /nfs/dbraw/zinc/09/40/45/656094045.db2.gz OZXKCLTYDYBWQV-OANVXVOSSA-N 0 0 315.344 3.470 20 10 DGCDRN CC[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181031190 656096897 /nfs/dbraw/zinc/09/68/97/656096897.db2.gz YYYISXAENWROLV-PXUDHTSWSA-N 0 0 311.381 3.249 20 10 DGCDRN Cc1c(NC(=O)/C=C/c2ccc(O)c(O)c2)cccc1N(C)C ZINC000181316771 656098227 /nfs/dbraw/zinc/09/82/27/656098227.db2.gz MTZPABWYSYVXFB-CSKARUKUSA-N 0 0 312.369 3.124 20 10 DGCDRN CCCCCN1CC(=O)N[C@H]1c1ccc(N2CCCCC2)cc1 ZINC000182324590 656104813 /nfs/dbraw/zinc/10/48/13/656104813.db2.gz IEPTZZKPLRLXNO-LJQANCHMSA-N 0 0 315.461 3.298 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1coc2ccccc12 ZINC000183450721 656112845 /nfs/dbraw/zinc/11/28/45/656112845.db2.gz DKJHIQOGQNOSBW-LLVKDONJSA-N 0 0 311.337 3.205 20 10 DGCDRN COc1ccc(N2CCN(C(=O)C[C@@H]3CCC[C@H]3C)CC2)cc1 ZINC000184605863 656119959 /nfs/dbraw/zinc/11/99/59/656119959.db2.gz QUHPGFFGGXOAPN-CVEARBPZSA-N 0 0 316.445 3.170 20 10 DGCDRN COc1ccc(OCC[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000184903620 656122052 /nfs/dbraw/zinc/12/20/52/656122052.db2.gz RGSIVJOGINHYFX-GFCCVEGCSA-N 0 0 305.349 3.270 20 10 DGCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1nncs1 ZINC000930755185 656134611 /nfs/dbraw/zinc/13/46/11/656134611.db2.gz YQVNJFLFGIBADS-CYBMUJFWSA-N 0 0 303.431 3.382 20 10 DGCDRN Cc1ncsc1/C=C/C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000188759685 656148786 /nfs/dbraw/zinc/14/87/86/656148786.db2.gz QZJCFQIRDUUCDN-MDZDMXLPSA-N 0 0 315.442 3.189 20 10 DGCDRN C[C@@H](NC(=O)[C@@H]1CC12CCSCC2)c1ccc(N(C)C)cc1 ZINC000828862747 661232968 /nfs/dbraw/zinc/23/29/68/661232968.db2.gz YGPZPVFSAMWYNW-CJNGLKHVSA-N 0 0 318.486 3.463 20 10 DGCDRN C[C@H](NC(=O)c1cncc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000828860714 661232972 /nfs/dbraw/zinc/23/29/72/661232972.db2.gz FXBHMIICRXVAIZ-NSHDSACASA-N 0 0 303.793 3.292 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2ccc(Cl)nc2C)c1 ZINC000194618661 656202954 /nfs/dbraw/zinc/20/29/54/656202954.db2.gz KQGPDLFHDRLLGX-UHFFFAOYSA-N 0 0 321.764 3.079 20 10 DGCDRN COCCN(Cc1ccc(N2CCCCC2)cc1)CC(F)F ZINC000092965853 656250088 /nfs/dbraw/zinc/25/00/88/656250088.db2.gz BKFLHBZDXSCALN-UHFFFAOYSA-N 0 0 312.404 3.390 20 10 DGCDRN COc1ccccc1NC[C@@H](O)COCc1ccccc1Cl ZINC000314552688 656466921 /nfs/dbraw/zinc/46/69/21/656466921.db2.gz KUTXHDFRCLQSQY-CQSZACIVSA-N 0 0 321.804 3.338 20 10 DGCDRN Cc1noc([C@H]2CCCN2Cc2c(O)cc(C)cc2Cl)n1 ZINC000840946043 656581020 /nfs/dbraw/zinc/58/10/20/656581020.db2.gz GTNWKDGGWVTMHA-CYBMUJFWSA-N 0 0 307.781 3.383 20 10 DGCDRN COc1cc(NC(=O)c2cccc(O)c2O)c(OC)cc1Cl ZINC000317922183 656693613 /nfs/dbraw/zinc/69/36/13/656693613.db2.gz WTACLMLHRUHXKC-UHFFFAOYSA-N 0 0 323.732 3.021 20 10 DGCDRN COc1ccc(N2CCN(C(=O)C[C@@H]3CC=CCC3)CC2)cc1 ZINC000929249048 661291262 /nfs/dbraw/zinc/29/12/62/661291262.db2.gz COYULUROLOYQNI-MRXNPFEDSA-N 0 0 314.429 3.090 20 10 DGCDRN CCC(=O)Nc1ccc(NCc2cc3c(cc2O)OCO3)cc1 ZINC000236827537 656781957 /nfs/dbraw/zinc/78/19/57/656781957.db2.gz IHRNDWUZUZCIFR-UHFFFAOYSA-N 0 0 314.341 3.082 20 10 DGCDRN COCC(=O)Nc1ccc(N[C@@H](C)c2ccc(C)cc2O)cc1 ZINC000320053274 656836637 /nfs/dbraw/zinc/83/66/37/656836637.db2.gz LQORXSACXGSSKD-ZDUSSCGKSA-N 0 0 314.385 3.459 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cc(C2CC2)on1 ZINC000028333347 657061933 /nfs/dbraw/zinc/06/19/33/657061933.db2.gz AAAPEAAMVXFYQD-UHFFFAOYSA-N 0 0 311.385 3.082 20 10 DGCDRN COCC(=O)Nc1ccc(N[C@H](C)c2cc(C)ccc2O)cc1 ZINC000319563358 657088780 /nfs/dbraw/zinc/08/87/80/657088780.db2.gz GEHVKTWSVFHAKU-CYBMUJFWSA-N 0 0 314.385 3.459 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cc3ccccc3cc2N)cc1 ZINC000237121669 657099961 /nfs/dbraw/zinc/09/99/61/657099961.db2.gz UWEVFNVWHDRPNB-UHFFFAOYSA-N 0 0 319.408 3.418 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1NC ZINC000319980011 657304029 /nfs/dbraw/zinc/30/40/29/657304029.db2.gz DIOFJMHKNLXOJN-UHFFFAOYSA-N 0 0 311.429 3.457 20 10 DGCDRN CC(=O)OC1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000093453951 658653852 /nfs/dbraw/zinc/65/38/52/658653852.db2.gz RKBKZRUVDIDOKK-UHFFFAOYSA-N 0 0 318.200 3.227 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2scnc2C)cc1 ZINC000055446535 658929685 /nfs/dbraw/zinc/92/96/85/658929685.db2.gz FCGROIWRXKCBMU-UHFFFAOYSA-N 0 0 303.431 3.228 20 10 DGCDRN Cc1cc(C(=O)N[C@]2(C)CCOC2)c(C)n1-c1cccc(C)c1 ZINC000157621313 659072588 /nfs/dbraw/zinc/07/25/88/659072588.db2.gz CETVDXYARBKWEX-LJQANCHMSA-N 0 0 312.413 3.311 20 10 DGCDRN Cc1ccc(CNC(=O)N(C)Cc2ccccc2O)cc1F ZINC000058474414 659083681 /nfs/dbraw/zinc/08/36/81/659083681.db2.gz XFQMVPMXYIYGTJ-UHFFFAOYSA-N 0 0 302.349 3.181 20 10 DGCDRN C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1ccccn1 ZINC000058557984 659087719 /nfs/dbraw/zinc/08/77/19/659087719.db2.gz UUKMYOXHYDOVGX-CQSZACIVSA-N 0 0 324.428 3.024 20 10 DGCDRN CCc1cc(C(=O)N(C)Cc2ccccc2O)cc(Cl)n1 ZINC000228098839 659174753 /nfs/dbraw/zinc/17/47/53/659174753.db2.gz GDQHMIPXUXZABP-UHFFFAOYSA-N 0 0 304.777 3.275 20 10 DGCDRN O=C(NCC1CC1)N(Cc1ccco1)Cc1ccccc1O ZINC000171006486 659254173 /nfs/dbraw/zinc/25/41/73/659254173.db2.gz ZJUXKTGSVTUMAN-UHFFFAOYSA-N 0 0 300.358 3.107 20 10 DGCDRN COc1cccc(CNC(=O)/C=C(\C)c2ccc(F)cc2)c1O ZINC000171486698 659282232 /nfs/dbraw/zinc/28/22/32/659282232.db2.gz CIRCBKQYYRXHTG-ZRDIBKRKSA-N 0 0 315.344 3.260 20 10 DGCDRN O=C1NC(=S)S/C1=C/c1ccc(OC(F)F)c(Cl)c1 ZINC000171764702 659297899 /nfs/dbraw/zinc/29/78/99/659297899.db2.gz BDJTXVPNPJGXJE-XBXARRHUSA-N 0 0 321.757 3.430 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc2nccn2c1 ZINC000171807044 659299744 /nfs/dbraw/zinc/29/97/44/659299744.db2.gz MKLFVFFVDGAWJF-UHFFFAOYSA-N 0 0 309.369 3.092 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)OCC(F)(F)F)cc1F ZINC000171832880 659300452 /nfs/dbraw/zinc/30/04/52/659300452.db2.gz KTMKQXJKSJPHLU-UHFFFAOYSA-N 0 0 322.302 3.460 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N(C)CC2CCC2)cc1 ZINC000171836493 659300810 /nfs/dbraw/zinc/30/08/10/659300810.db2.gz KJVYUFWMMFYWFE-UHFFFAOYSA-N 0 0 303.450 3.474 20 10 DGCDRN CCN(CC)c1ccc(CNc2ccc([N+](=O)[O-])cn2)cc1 ZINC000076844878 659303994 /nfs/dbraw/zinc/30/39/94/659303994.db2.gz RBLQAEDOXQCKOE-UHFFFAOYSA-N 0 0 300.362 3.448 20 10 DGCDRN COc1cccc(CNC(=O)[C@@H](SC)c2ccccc2)c1O ZINC000172403700 659333794 /nfs/dbraw/zinc/33/37/94/659333794.db2.gz VMKUYVNIYUYNHN-INIZCTEOSA-N 0 0 317.410 3.121 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)c3cccc(C)c3)C2)cc1 ZINC000062574868 659337125 /nfs/dbraw/zinc/33/71/25/659337125.db2.gz TYQSWMFWOZEHAM-MRXNPFEDSA-N 0 0 324.424 3.260 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCc1ncc[nH]1 ZINC000172992758 659369410 /nfs/dbraw/zinc/36/94/10/659369410.db2.gz FPOYCRMVGGKDDJ-UHFFFAOYSA-N 0 0 322.412 3.098 20 10 DGCDRN C[C@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@H]1C ZINC000173290137 659377369 /nfs/dbraw/zinc/37/73/69/659377369.db2.gz FZBAKMPCJMPPML-HOTGVXAUSA-N 0 0 313.445 3.393 20 10 DGCDRN O=C(CCC1CCOCC1)NCc1ccc(N2CCCC2)cc1 ZINC000173466203 659385756 /nfs/dbraw/zinc/38/57/56/659385756.db2.gz BOHVRKPBTFRNES-UHFFFAOYSA-N 0 0 316.445 3.110 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Nc1c(F)cc(F)cc1F ZINC000174257463 659424297 /nfs/dbraw/zinc/42/42/97/659424297.db2.gz YWUFVJACGFHSDN-UHFFFAOYSA-N 0 0 310.275 3.473 20 10 DGCDRN Cc1cc(C(=O)N(C)CC(C)(C)O)c(C)n1-c1ccc(F)cc1 ZINC000174516828 659437301 /nfs/dbraw/zinc/43/73/01/659437301.db2.gz RJSPCQFFOXJYFE-UHFFFAOYSA-N 0 0 318.392 3.076 20 10 DGCDRN O=C(Nc1ccc(N2CCCCC2)cc1)c1cccc(O)c1O ZINC000322915685 659725479 /nfs/dbraw/zinc/72/54/79/659725479.db2.gz GUXWGAQYZIHMCN-UHFFFAOYSA-N 0 0 312.369 3.340 20 10 DGCDRN Cc1cn(C)nc1CN(Cc1ccco1)Cc1ccccc1O ZINC000929969521 659867989 /nfs/dbraw/zinc/86/79/89/659867989.db2.gz CGRQDHOMVWCOOE-UHFFFAOYSA-N 0 0 311.385 3.230 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CC[C@H]2CC[C@H](C)O2)cc1 ZINC000175529111 659924010 /nfs/dbraw/zinc/92/40/10/659924010.db2.gz AIOXMBSMLLRUGN-MAUKXSAKSA-N 0 0 318.461 3.497 20 10 DGCDRN C[C@H](NCc1ccc2c(c1)CCO2)c1nc(C(C)(C)C)no1 ZINC000237589494 659930904 /nfs/dbraw/zinc/93/09/04/659930904.db2.gz HSBHMBMBRYOOIJ-NSHDSACASA-N 0 0 301.390 3.153 20 10 DGCDRN C[C@H](NC(=O)Cc1ccc(N)cc1)c1ccc(OC(F)F)cc1 ZINC000237659160 659935434 /nfs/dbraw/zinc/93/54/34/659935434.db2.gz ADXXGFJMHNPZQZ-NSHDSACASA-N 0 0 320.339 3.290 20 10 DGCDRN Cc1cc(C(=O)NCC(=O)C2CC2)c(C)n1-c1cccc(C)c1 ZINC000179618330 659935771 /nfs/dbraw/zinc/93/57/71/659935771.db2.gz AYBDUMNZKRWVHG-UHFFFAOYSA-N 0 0 310.397 3.111 20 10 DGCDRN Nc1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1 ZINC000237855537 659945814 /nfs/dbraw/zinc/94/58/14/659945814.db2.gz IDJFVARDXLLRHV-UHFFFAOYSA-N 0 0 310.275 3.305 20 10 DGCDRN Nc1ccc(CCNC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000237941937 659949527 /nfs/dbraw/zinc/94/95/27/659949527.db2.gz PPIFSMMJTJJJRZ-GDBMZVCRSA-N 0 0 316.351 3.009 20 10 DGCDRN C[C@@H](NC(=O)C[C@H]1C=CCC1)c1ccc(N2CCOCC2)cc1 ZINC000068512949 659955519 /nfs/dbraw/zinc/95/55/19/659955519.db2.gz AZVDVOBXPJUUPF-CVEARBPZSA-N 0 0 314.429 3.057 20 10 DGCDRN CCc1nc(NC(=O)/C=C/c2ccc(O)c(O)c2)sc1C ZINC000180679682 659967191 /nfs/dbraw/zinc/96/71/91/659967191.db2.gz HJIGIPJOBICFRO-FNORWQNLSA-N 0 0 304.371 3.077 20 10 DGCDRN CCN(CCc1ccccc1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180669528 659968022 /nfs/dbraw/zinc/96/80/22/659968022.db2.gz DNEKITPPFJRGHM-PKNBQFBNSA-N 0 0 311.381 3.202 20 10 DGCDRN COc1ccc(N(C)Cc2ccc(N3CCCC3)nc2)cc1F ZINC000180772963 659970225 /nfs/dbraw/zinc/97/02/25/659970225.db2.gz SSTGSCVZVGNIPJ-UHFFFAOYSA-N 0 0 315.392 3.466 20 10 DGCDRN Cc1cc(C)c(CNC(=O)/C=C/c2ccc(O)c(O)c2)c(C)c1 ZINC000180913647 659974623 /nfs/dbraw/zinc/97/46/23/659974623.db2.gz KDAVZUDRXXVUPK-FNORWQNLSA-N 0 0 311.381 3.353 20 10 DGCDRN CCN(CC)c1ccc(CN2CCCC3(C2)OCCO3)cc1F ZINC000182080280 660032656 /nfs/dbraw/zinc/03/26/56/660032656.db2.gz KHZCPMSGNDCFNL-UHFFFAOYSA-N 0 0 322.424 3.011 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C)c(O)c1O ZINC000182415961 660052353 /nfs/dbraw/zinc/05/23/53/660052353.db2.gz PYRHKCWMBSELNZ-UHFFFAOYSA-N 0 0 312.369 3.041 20 10 DGCDRN Nc1ccc(CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000071700046 660140050 /nfs/dbraw/zinc/14/00/50/660140050.db2.gz UGERBUQSOOPYPP-UHFFFAOYSA-N 0 0 310.275 3.349 20 10 DGCDRN O=C(Cc1ccoc1)N(Cc1ccco1)Cc1ccccc1O ZINC000184297581 660161393 /nfs/dbraw/zinc/16/13/93/660161393.db2.gz BFZLHIDIKVQXML-UHFFFAOYSA-N 0 0 311.337 3.350 20 10 DGCDRN COc1nnc(CN(Cc2ccc(N(C)C)cc2)C(C)C)s1 ZINC000929295094 661294654 /nfs/dbraw/zinc/29/46/54/661294654.db2.gz JAQLMIWZBFIQBT-UHFFFAOYSA-N 0 0 320.462 3.023 20 10 DGCDRN COc1nnc(CN(Cc2ccccc2O)C2CCCC2)s1 ZINC000929636539 661322867 /nfs/dbraw/zinc/32/28/67/661322867.db2.gz USMLVPIRQPCZMK-UHFFFAOYSA-N 0 0 319.430 3.197 20 10 DGCDRN CCOc1ccc(N(CC)Cc2noc3c2COCC3)cc1 ZINC000929914211 661350119 /nfs/dbraw/zinc/35/01/19/661350119.db2.gz WVQXZLKMSVHGMK-UHFFFAOYSA-N 0 0 302.374 3.173 20 10 DGCDRN Cc1cccc(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000930205131 661377379 /nfs/dbraw/zinc/37/73/79/661377379.db2.gz HFRZWNBRBOCELO-UHFFFAOYSA-N 0 0 322.408 3.094 20 10 DGCDRN C[C@@H](NC(=O)[C@]1(C)C=CCC1)c1ccc(N2CCOCC2)cc1 ZINC000930745221 661426741 /nfs/dbraw/zinc/42/67/41/661426741.db2.gz UCNWTHDYUCEEHO-DNVCBOLYSA-N 0 0 314.429 3.057 20 10 DGCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2CCc1nnc(C)o1 ZINC000930754992 661427437 /nfs/dbraw/zinc/42/74/37/661427437.db2.gz UECXXIXSLPNVAT-OAHLLOKOSA-N 0 0 315.417 3.264 20 10 DGCDRN CC[C@@H](C)[C@@H](NC(=O)N1Cc2cccc(O)c2C1)C(F)(F)F ZINC000931097770 661452237 /nfs/dbraw/zinc/45/22/37/661452237.db2.gz ZQARJNGGUYHXRG-NOZJJQNGSA-N 0 0 316.323 3.394 20 10 DGCDRN CC(C)c1scnc1NC(=O)NCc1c(O)cccc1F ZINC000931454397 661478107 /nfs/dbraw/zinc/47/81/07/661478107.db2.gz KRJKFZYQOMDSSZ-UHFFFAOYSA-N 0 0 309.366 3.433 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)C3(C)CC=CC3)CC2)cc1 ZINC000931577761 661490251 /nfs/dbraw/zinc/49/02/51/661490251.db2.gz CALOKVHFELKLPW-UHFFFAOYSA-N 0 0 314.429 3.137 20 10 DGCDRN CC[C@@H]1CCC[C@H](NC(=O)NCc2cccc(OC)c2O)C1 ZINC000074416082 661590053 /nfs/dbraw/zinc/59/00/53/661590053.db2.gz BDSHPYJJQOLSOS-OCCSQVGLSA-N 0 0 306.406 3.169 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000932943233 661611098 /nfs/dbraw/zinc/61/10/98/661611098.db2.gz JSVCQPATGHVCSY-MSOLQXFVSA-N 0 0 316.445 3.025 20 10 DGCDRN C[C@H]1Cc2cc(NC(=O)N(C)Cc3ccccc3O)ccc2O1 ZINC000933157865 661621543 /nfs/dbraw/zinc/62/15/43/661621543.db2.gz QNZTVSNUFSKEJR-LBPRGKRZSA-N 0 0 312.369 3.380 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@]23C[C@H]2COC32CCC2)c1[O-] ZINC000933391293 661632100 /nfs/dbraw/zinc/63/21/00/661632100.db2.gz CPWFKEDDTCZJGQ-YVEFUNNKSA-N 0 0 321.804 3.049 20 10 DGCDRN CCc1nc(OC)ccc1NC(=O)N[C@H](C)c1ccccc1O ZINC000933932881 661667198 /nfs/dbraw/zinc/66/71/98/661667198.db2.gz LFWKRIXHFOESAU-LLVKDONJSA-N 0 0 315.373 3.241 20 10 DGCDRN C[C@@H](NC(=O)Nc1noc2c1CCCC2)c1ccccc1O ZINC000934347923 661700158 /nfs/dbraw/zinc/70/01/58/661700158.db2.gz ABSAUHILQMDSTN-SNVBAGLBSA-N 0 0 301.346 3.142 20 10 DGCDRN CCc1nccc(C)c1NC(=O)NCc1c(O)cccc1F ZINC000934487739 661710599 /nfs/dbraw/zinc/71/05/99/661710599.db2.gz RZZJHUNUPGTWDL-UHFFFAOYSA-N 0 0 303.337 3.119 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C[C@H]2C)c1 ZINC000934940323 661750076 /nfs/dbraw/zinc/75/00/76/661750076.db2.gz LGMPAFBWYCAXMN-HYFYGGESSA-N 0 0 303.402 3.260 20 10 DGCDRN C[C@H](NC(=O)c1ccnn1C1CCC1)c1ccc(N(C)C)cc1 ZINC000935462752 661787875 /nfs/dbraw/zinc/78/78/75/661787875.db2.gz FUBPCRXBEPVFFX-ZDUSSCGKSA-N 0 0 312.417 3.165 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cc2cccn2cn1 ZINC000935855081 661815608 /nfs/dbraw/zinc/81/56/08/661815608.db2.gz KTTJZLYHODPIQE-UHFFFAOYSA-N 0 0 323.396 3.482 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H](C)c1ncon1 ZINC000155457430 661847142 /nfs/dbraw/zinc/84/71/42/661847142.db2.gz NYJLJOYKKBGTRR-AWEZNQCLSA-N 0 0 324.384 3.277 20 10 DGCDRN Cc1cc(O)c(CNc2ccccc2SCC(N)=O)cc1C ZINC000158283736 661870737 /nfs/dbraw/zinc/87/07/37/661870737.db2.gz SRWQNIYWNLUCPB-UHFFFAOYSA-N 0 0 316.426 3.199 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@@H](c2ccccc2)C2CC2)c1 ZINC000158652616 661876318 /nfs/dbraw/zinc/87/63/18/661876318.db2.gz OTMQLAVMXYDLPG-SFHVURJKSA-N 0 0 311.381 3.211 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1cc2ccc(Cl)cc2[nH]1 ZINC000158879070 661879743 /nfs/dbraw/zinc/87/97/43/661879743.db2.gz PKRJPOPKNCEJNV-UHFFFAOYSA-N 0 0 316.744 3.163 20 10 DGCDRN CC[C@@H](OC1CCCCC1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000159018921 661881274 /nfs/dbraw/zinc/88/12/74/661881274.db2.gz CZCWJQDQNRXDDA-GOSISDBHSA-N 0 0 318.461 3.497 20 10 DGCDRN CCOc1cccc(/C=C2\SC(=S)N(C3CC3)C2=O)c1 ZINC000048642771 661893927 /nfs/dbraw/zinc/89/39/27/661893927.db2.gz ILSCPHDOFRPRCY-LCYFTJDESA-N 0 0 305.424 3.449 20 10 DGCDRN Cc1ccccc1C[C@H](C)NC(=O)CSc1nccs1 ZINC000048876472 661897125 /nfs/dbraw/zinc/89/71/25/661897125.db2.gz QVBAGUXONMMVRM-LBPRGKRZSA-N 0 0 306.456 3.291 20 10 DGCDRN CC[C@H]1CO[C@@H](C)CN1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000048915886 661897299 /nfs/dbraw/zinc/89/72/99/661897299.db2.gz PHOSUMITCAMHFP-HZMBPMFUSA-N 0 0 311.809 3.248 20 10 DGCDRN CC(=O)c1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000075159724 661918240 /nfs/dbraw/zinc/91/82/40/661918240.db2.gz TZAZGIIYKMVCGV-UHFFFAOYSA-N 0 0 323.392 3.404 20 10 DGCDRN O=C(c1cccc(O)c1O)N(Cc1ccco1)Cc1ccco1 ZINC000188149001 661918332 /nfs/dbraw/zinc/91/83/32/661918332.db2.gz DRHNPTPFKFBEAM-UHFFFAOYSA-N 0 0 313.309 3.126 20 10 DGCDRN O=C(Nc1ccc2oc(C3CC3)nc2c1)c1cccc(O)c1O ZINC000189061972 661961181 /nfs/dbraw/zinc/96/11/81/661961181.db2.gz JDSZJXUBNWIQKQ-UHFFFAOYSA-N 0 0 310.309 3.369 20 10 DGCDRN CN(CCCOc1ccccc1)C(=O)CSc1nccs1 ZINC000077628236 662034378 /nfs/dbraw/zinc/03/43/78/662034378.db2.gz HJCUYHDNXYUWFX-UHFFFAOYSA-N 0 0 322.455 3.163 20 10 DGCDRN Cc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1F ZINC000190918176 662049214 /nfs/dbraw/zinc/04/92/14/662049214.db2.gz BDUNRUOAQILURJ-NSHDSACASA-N 0 0 318.348 3.298 20 10 DGCDRN Cc1cccc(C)c1NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000078661807 662080790 /nfs/dbraw/zinc/08/07/90/662080790.db2.gz YFJQSDPPYCPAKQ-UHFFFAOYSA-N 0 0 311.429 3.098 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Nc2cnn(CC)c2)cc1 ZINC000079719651 662120272 /nfs/dbraw/zinc/12/02/72/662120272.db2.gz ZHGBRRMBWGOYPJ-UHFFFAOYSA-N 0 0 315.421 3.071 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C[C@@H]2CCCOC2)cc1F ZINC000193206097 662126125 /nfs/dbraw/zinc/12/61/25/662126125.db2.gz OSWJTPHMTWLHFT-HNNXBMFYSA-N 0 0 322.424 3.105 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cccc3[nH]ccc32)cc1F ZINC000080610362 662147929 /nfs/dbraw/zinc/14/79/29/662147929.db2.gz RCWGEQIKKRLERU-UHFFFAOYSA-N 0 0 311.360 3.303 20 10 DGCDRN Cc1cc(S(=O)(=O)Nc2ccc(O)cc2)ccc1OC(C)C ZINC000194107727 662157453 /nfs/dbraw/zinc/15/74/53/662157453.db2.gz GFOYKQXYGMYOHQ-UHFFFAOYSA-N 0 0 321.398 3.289 20 10 DGCDRN CCOCCCCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000194117529 662157936 /nfs/dbraw/zinc/15/79/36/662157936.db2.gz ADYLMKJKTFCKIU-UHFFFAOYSA-N 0 0 315.417 3.036 20 10 DGCDRN COc1cccc([C@H](C)C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000194389726 662164385 /nfs/dbraw/zinc/16/43/85/662164385.db2.gz ODANDTPOPHGWPK-AWEZNQCLSA-N 0 0 312.413 3.181 20 10 DGCDRN COC[C@H](C)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000195698574 662192941 /nfs/dbraw/zinc/19/29/41/662192941.db2.gz YRBFJYGWXHZMPQ-CYBMUJFWSA-N 0 0 300.402 3.106 20 10 DGCDRN COc1cc(CN2C[C@@H](C)OC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000246042692 662246368 /nfs/dbraw/zinc/24/63/68/662246368.db2.gz AMFCHNWXRIXEEB-QWHCGFSZSA-N 0 0 307.434 3.308 20 10 DGCDRN C[C@H]1CN(Cc2cc(F)ccc2O)[C@@H](c2ccccc2)CO1 ZINC000246048071 662246468 /nfs/dbraw/zinc/24/64/68/662246468.db2.gz XSUDRRDKMNUFOU-SUMWQHHRSA-N 0 0 301.361 3.493 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@H]2C[C@H](C)C[C@H](C)C2)c1 ZINC000246826496 662284842 /nfs/dbraw/zinc/28/48/42/662284842.db2.gz GIPBPNXWJCMCEB-IMRBUKKESA-N 0 0 306.406 3.025 20 10 DGCDRN CCc1nn(C)cc1NCc1cccc(Br)c1O ZINC000091070077 662291968 /nfs/dbraw/zinc/29/19/68/662291968.db2.gz RJVBFZHFTUKFPD-UHFFFAOYSA-N 0 0 310.195 3.063 20 10 DGCDRN COc1ccc(N(Cc2ccco2)Cc2ccnn2C)cc1F ZINC000091073104 662292076 /nfs/dbraw/zinc/29/20/76/662292076.db2.gz WFURLIMKQIJOSO-UHFFFAOYSA-N 0 0 315.348 3.368 20 10 DGCDRN COc1ccc(N2CCC[N@H+](Cc3ccc(C)o3)CC2)cc1 ZINC000092380672 662329955 /nfs/dbraw/zinc/32/99/55/662329955.db2.gz MEFAJAAWPGULHS-UHFFFAOYSA-N 0 0 300.402 3.309 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ncccc1C(F)(F)F ZINC000092500828 662332484 /nfs/dbraw/zinc/33/24/84/662332484.db2.gz BSFNFQMIDVYDED-UHFFFAOYSA-N 0 0 310.275 3.078 20 10 DGCDRN CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000092707683 662334153 /nfs/dbraw/zinc/33/41/53/662334153.db2.gz IUDWHYHMGGAAIS-CYBMUJFWSA-N 0 0 324.852 3.174 20 10 DGCDRN CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000092710289 662334288 /nfs/dbraw/zinc/33/42/88/662334288.db2.gz UYHHCGJTNCWEAQ-CYBMUJFWSA-N 0 0 324.852 3.174 20 10 DGCDRN CCC[N@H+](Cc1ccc(-n2cncn2)cc1)Cc1ccccc1O ZINC000092705046 662334381 /nfs/dbraw/zinc/33/43/81/662334381.db2.gz CGSZARLFWGAPQC-UHFFFAOYSA-N 0 0 322.412 3.385 20 10 DGCDRN CC(C)(C)CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000248241340 662337380 /nfs/dbraw/zinc/33/73/80/662337380.db2.gz FCNJFFMVVURZKV-HNNXBMFYSA-N 0 0 305.418 3.336 20 10 DGCDRN CC1(C)CC[C@@H](C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)O1 ZINC000248567621 662353591 /nfs/dbraw/zinc/35/35/91/662353591.db2.gz JSVVYAQRKGQHRZ-SJORKVTESA-N 0 0 319.445 3.331 20 10 DGCDRN CCOc1cccc(C[N@H+](CCOC)Cc2ccc(C)o2)c1O ZINC000093707195 662358891 /nfs/dbraw/zinc/35/88/91/662358891.db2.gz VFRXKLCMTGDKMC-UHFFFAOYSA-N 0 0 319.401 3.341 20 10 DGCDRN CC(C)c1nc(NCc2cccc(Cl)c2O)nc(N(C)C)n1 ZINC000897392340 685311141 /nfs/dbraw/zinc/31/11/41/685311141.db2.gz YAFBFZRGHFSATO-UHFFFAOYSA-N 0 0 321.812 3.032 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2cccc(F)c2F)cc1 ZINC000065427774 685054482 /nfs/dbraw/zinc/05/44/82/685054482.db2.gz RHYYGSVPBONKME-UHFFFAOYSA-N 0 0 305.328 3.353 20 10 DGCDRN CC1(C)Oc2ccc(NC(=O)NCc3ccc(N)cc3)cc2O1 ZINC001576495640 1191832689 /nfs/dbraw/zinc/83/26/89/1191832689.db2.gz YNRIQXRCWIBDQN-UHFFFAOYSA-N 0 0 313.357 3.098 20 10 DGCDRN CCn1ccc(CNCc2ccc(N3CCC(C)CC3)cc2)n1 ZINC001620777743 1191843137 /nfs/dbraw/zinc/84/31/37/1191843137.db2.gz IUWNCCKAZJREFJ-UHFFFAOYSA-N 0 0 312.461 3.429 20 10 DGCDRN COc1ccccc1C/C(C)=C/C(=O)NCc1ccc(N)cc1 ZINC001579306547 1191973534 /nfs/dbraw/zinc/97/35/34/1191973534.db2.gz VWQRYMONGDYQGI-WYMLVPIESA-N 0 0 310.397 3.083 20 10 DGCDRN C[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)[C@H](C(F)(F)F)C1 ZINC001579424316 1191976409 /nfs/dbraw/zinc/97/64/09/1191976409.db2.gz VSCWUVACHZMNNI-MFKMUULPSA-N 0 0 300.324 3.001 20 10 DGCDRN Nc1ccc(CCNC(=O)c2ccc(F)c(Cl)c2F)cc1 ZINC001580443550 1192027291 /nfs/dbraw/zinc/02/72/91/1192027291.db2.gz PIHHYUUSOUSTLF-UHFFFAOYSA-N 0 0 310.731 3.173 20 10 DGCDRN Cc1cnc(C(=O)NCc2ccc3c(c2)CCCN3C)cc1C ZINC001583627762 1192154315 /nfs/dbraw/zinc/15/43/15/1192154315.db2.gz GPXGEOJIOQAVQH-UHFFFAOYSA-N 0 0 309.413 3.011 20 10 DGCDRN CC(C)Cc1c[nH]c(C(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC001583753547 1192159046 /nfs/dbraw/zinc/15/90/46/1192159046.db2.gz WXRFEBQISZEDCR-UHFFFAOYSA-N 0 0 317.408 3.348 20 10 DGCDRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001583966287 1192169819 /nfs/dbraw/zinc/16/98/19/1192169819.db2.gz JMOVFQFVOWTXSX-FVQBIDKESA-N 0 0 319.445 3.465 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC001584094301 1192177447 /nfs/dbraw/zinc/17/74/47/1192177447.db2.gz FGOJOSHLMIJDNU-WKBVASEUSA-N 0 0 314.473 3.400 20 10 DGCDRN O=C(/C=C\c1cccnc1)N1CCCc2cc(F)c(F)c(F)c21 ZINC001584512863 1192201102 /nfs/dbraw/zinc/20/11/02/1192201102.db2.gz TUACTYJYRJVNOS-WAYWQWQTSA-N 0 0 318.298 3.492 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(OCC2CC2)cc1 ZINC001585932830 1192293185 /nfs/dbraw/zinc/29/31/85/1192293185.db2.gz QCVMYUSRSVVECN-UHFFFAOYSA-N 0 0 313.353 3.068 20 10 DGCDRN Cc1cc(C)c(O)c(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001586936955 1192358780 /nfs/dbraw/zinc/35/87/80/1192358780.db2.gz RELSMHOQJMEGGI-UHFFFAOYSA-N 0 0 312.329 3.424 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCOC2(C)C)cc1 ZINC001587725266 1192414197 /nfs/dbraw/zinc/41/41/97/1192414197.db2.gz WGICWVKJCDUZKV-KRWDZBQOSA-N 0 0 312.413 3.391 20 10 DGCDRN Cc1cc(NCc2ccc(N(C)C)cc2C)cc(-c2nn[nH]n2)c1 ZINC001592052074 1192589242 /nfs/dbraw/zinc/58/92/42/1192589242.db2.gz AQXKDZAOTLKJKV-UHFFFAOYSA-N 0 0 322.416 3.162 20 10 DGCDRN C[C@@H](CCCc1ccccc1)C(=O)NCc1cc(O)ccc1O ZINC001593873495 1192640816 /nfs/dbraw/zinc/64/08/16/1192640816.db2.gz QTZMCKRTWAXFGC-AWEZNQCLSA-N 0 0 313.397 3.373 20 10 DGCDRN CC(C)c1ccc(C(=O)NCc2c(O)cccc2F)c(O)c1 ZINC001596913046 1192710008 /nfs/dbraw/zinc/71/00/08/1192710008.db2.gz UGXOYTVFPXRMHS-UHFFFAOYSA-N 0 0 303.333 3.290 20 10 DGCDRN CC[C@H](C(=O)NCc1c(O)cccc1F)c1ccc(F)cc1 ZINC001596912710 1192710389 /nfs/dbraw/zinc/71/03/89/1192710389.db2.gz QVOLGQYBUMRJFB-ZDUSSCGKSA-N 0 0 305.324 3.480 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cc(-c2cccs2)on1 ZINC001596912536 1192710496 /nfs/dbraw/zinc/71/04/96/1192710496.db2.gz OICZBDVJMDUXIW-UHFFFAOYSA-N 0 0 318.329 3.178 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cccc(Br)c1 ZINC001596906340 1192710532 /nfs/dbraw/zinc/71/05/32/1192710532.db2.gz DMRYIFOUVZJZHA-UHFFFAOYSA-N 0 0 324.149 3.224 20 10 DGCDRN C[C@H]1C[C@H]1n1c(CC2CC2)nnc1N(C)Cc1ccccc1O ZINC001708002016 1176502046 /nfs/dbraw/zinc/50/20/46/1176502046.db2.gz ORWHUJXTKXXKFK-SWLSCSKDSA-N 0 0 312.417 3.154 20 10 DGCDRN CNC(=O)c1cccc(NCc2ccc(N3CCCC3)cc2)c1 ZINC000378901515 1176749134 /nfs/dbraw/zinc/74/91/34/1176749134.db2.gz CKQPSITVUQCHNV-UHFFFAOYSA-N 0 0 309.413 3.259 20 10 DGCDRN Cc1ccc(Cl)cc1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588560161 1177221657 /nfs/dbraw/zinc/22/16/57/1177221657.db2.gz LYVBYNMHFSJLBJ-DAXSKMNVSA-N 0 0 317.772 3.389 20 10 DGCDRN Cc1cc([C@H]([NH2+]Cc2cccc(C)c2O)C(=O)[O-])ccc1F ZINC001600150395 1192796516 /nfs/dbraw/zinc/79/65/16/1192796516.db2.gz SMYBMCNKIDUUEM-HNNXBMFYSA-N 0 0 303.333 3.064 20 10 DGCDRN Cc1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)oc1C(=O)[O-] ZINC001600203887 1192805561 /nfs/dbraw/zinc/80/55/61/1192805561.db2.gz YIVRBSXPGWTHKM-LBPRGKRZSA-N 0 0 302.374 3.203 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC001600236395 1192817172 /nfs/dbraw/zinc/81/71/72/1192817172.db2.gz HPTQWMWBMMTRQW-LJQANCHMSA-N 0 0 324.424 3.073 20 10 DGCDRN Cc1cc(O)c(C[NH2+]Cc2cccc(C(=O)[O-])c2)cc1Cl ZINC001600285748 1192827418 /nfs/dbraw/zinc/82/74/18/1192827418.db2.gz GRCLKIIVSXSGSM-UHFFFAOYSA-N 0 0 305.761 3.342 20 10 DGCDRN C[C@@H]1C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)c2ccccc21 ZINC001179689570 1177804890 /nfs/dbraw/zinc/80/48/90/1177804890.db2.gz SLMMFGWYYPVLML-GGMIUFRYSA-N 0 0 309.365 3.476 20 10 DGCDRN Cc1ccn2c(=O)cc(CSc3ncc(Cl)s3)nc2c1 ZINC001641311616 1194848173 /nfs/dbraw/zinc/84/81/73/1194848173.db2.gz UQVULSSSWGRILY-UHFFFAOYSA-N 0 0 323.830 3.405 20 10 DGCDRN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)NCc1c(O)ccc2ccccc21 ZINC001157050339 1178040422 /nfs/dbraw/zinc/04/04/22/1178040422.db2.gz DZOMRVWLSMDLNI-JWXAPSBJSA-N 0 0 313.397 3.221 20 10 DGCDRN Cc1cc(CNS(=O)(=O)C2CCC2)c(C)n1-c1ccccc1 ZINC001213351876 1178071874 /nfs/dbraw/zinc/07/18/74/1178071874.db2.gz NXDHDABJZRKYHQ-UHFFFAOYSA-N 0 0 318.442 3.066 20 10 DGCDRN CN(CCC(F)(F)F)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001331578044 1178252449 /nfs/dbraw/zinc/25/24/49/1178252449.db2.gz BRXPDFTVCAGXRY-UHFFFAOYSA-N 0 0 319.304 3.337 20 10 DGCDRN Cc1cccc(OCC[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)c1 ZINC001600546269 1192872055 /nfs/dbraw/zinc/87/20/55/1192872055.db2.gz DHFBXZLTEOLGQI-CYBMUJFWSA-N 0 0 315.369 3.128 20 10 DGCDRN CC(=O)C1(NC(=O)c2sccc2-n2c(C)ccc2C)CC1 ZINC001332187517 1178385387 /nfs/dbraw/zinc/38/53/87/1178385387.db2.gz PFJABLMZLQBTLL-UHFFFAOYSA-N 0 0 302.399 3.007 20 10 DGCDRN Cc1csc(CCCNC(=O)N[C@@H](C)c2ccccc2O)n1 ZINC001332512297 1178458465 /nfs/dbraw/zinc/45/84/65/1178458465.db2.gz SRXPWICAZKKYRD-LBPRGKRZSA-N 0 0 319.430 3.150 20 10 DGCDRN Cc1cc([C@H](C)NC(=O)N2Cc3cccc(O)c3C2)c(C)o1 ZINC001332585647 1178464244 /nfs/dbraw/zinc/46/42/44/1178464244.db2.gz LNTKNIOFBDHZSG-NSHDSACASA-N 0 0 300.358 3.388 20 10 DGCDRN CCO[C@H]1C[C@H](NC(=O)N[C@@H](C)c2ccccc2O)C12CCC2 ZINC001332707450 1178477751 /nfs/dbraw/zinc/47/77/51/1178477751.db2.gz ARIMIEZGUOLXTC-RCBQFDQVSA-N 0 0 318.417 3.100 20 10 DGCDRN C[C@@H]1CO[C@@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC001332723327 1178483283 /nfs/dbraw/zinc/48/32/83/1178483283.db2.gz GAFBWZVIZLRKDW-MAUKXSAKSA-N 0 0 316.445 3.060 20 10 DGCDRN CC(C)Oc1ccc(N(C)Cc2noc3c2COCC3)cc1 ZINC001333029196 1178543765 /nfs/dbraw/zinc/54/37/65/1178543765.db2.gz KMQPSKZJXRHKEU-UHFFFAOYSA-N 0 0 302.374 3.171 20 10 DGCDRN C[C@@H](NC(=O)NC1(C(F)(F)F)CCC1)c1ccccc1O ZINC001333053108 1178547320 /nfs/dbraw/zinc/54/73/20/1178547320.db2.gz FEFLVVAMWCHBIP-SECBINFHSA-N 0 0 302.296 3.237 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cnn(C2CCCCC2)c1 ZINC001333689229 1178653523 /nfs/dbraw/zinc/65/35/23/1178653523.db2.gz MONZJOSFNIMVJL-UHFFFAOYSA-N 0 0 313.401 3.366 20 10 DGCDRN C[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H]1C ZINC001333749188 1178666970 /nfs/dbraw/zinc/66/69/70/1178666970.db2.gz QNDFTXRXHLSUIR-NXEZZACHSA-N 0 0 305.399 3.431 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC1(C2CCCCC2)CC1 ZINC001335372632 1178901757 /nfs/dbraw/zinc/90/17/57/1178901757.db2.gz DPHMAQQXHZHMOD-CLFYSBASSA-N 0 0 301.386 3.340 20 10 DGCDRN Nc1ccc(CNC(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)cc1 ZINC001335452195 1178912840 /nfs/dbraw/zinc/91/28/40/1178912840.db2.gz OVCBRNVJOGOFHF-PKOBYXMFSA-N 0 0 323.440 3.479 20 10 DGCDRN CCc1ncoc1C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC001335773153 1178953234 /nfs/dbraw/zinc/95/32/34/1178953234.db2.gz KJLNJSIEGBYFFJ-UHFFFAOYSA-N 0 0 319.380 3.152 20 10 DGCDRN CC[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001336118121 1178995701 /nfs/dbraw/zinc/99/57/01/1178995701.db2.gz DKSXUBPXDFQMAC-IBGZPJMESA-N 0 0 316.445 3.364 20 10 DGCDRN CCOC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC001343973477 1179359414 /nfs/dbraw/zinc/35/94/14/1179359414.db2.gz VVGMSMQBTKKLPD-LLVKDONJSA-N 0 0 315.772 3.102 20 10 DGCDRN CC(C)(C(=O)NCCCSc1nccs1)C(F)(F)F ZINC001345941905 1179626935 /nfs/dbraw/zinc/62/69/35/1179626935.db2.gz IEVQSBYAIVQMER-UHFFFAOYSA-N 0 0 312.382 3.330 20 10 DGCDRN Nc1ccc(CNC(=O)N2CC3(CCC3)c3ccccc32)cc1 ZINC001346738035 1179741031 /nfs/dbraw/zinc/74/10/31/1179741031.db2.gz DBOADBDJZKZKTA-UHFFFAOYSA-N 0 0 307.397 3.420 20 10 DGCDRN CCOc1ccc(CN(C)C(=O)NCc2ccc(N)cc2)cc1 ZINC001346739442 1179741347 /nfs/dbraw/zinc/74/13/47/1179741347.db2.gz QSDXSMPCIHKRFF-UHFFFAOYSA-N 0 0 313.401 3.009 20 10 DGCDRN CCS[C@H]1CCCCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001346739215 1179741441 /nfs/dbraw/zinc/74/14/41/1179741441.db2.gz OOVITTSEEPCCJY-HNNXBMFYSA-N 0 0 307.463 3.086 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Cc1cncs1 ZINC001346776535 1179746801 /nfs/dbraw/zinc/74/68/01/1179746801.db2.gz PILLTENXNDDOME-UHFFFAOYSA-N 0 0 304.415 3.220 20 10 DGCDRN CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NCc1cccc(O)c1O ZINC001349078506 1179873282 /nfs/dbraw/zinc/87/32/82/1179873282.db2.gz HPIPAIHKDLOKJI-NOLJZWGESA-N 0 0 321.417 3.088 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1scnc1C1CCCC1 ZINC001350300895 1180048534 /nfs/dbraw/zinc/04/85/34/1180048534.db2.gz ZPTAIWOTARYIGQ-UHFFFAOYSA-N 0 0 318.398 3.142 20 10 DGCDRN CCc1cc(CN(C)Cc2cn(C)nn2)c(O)c(C(C)(C)C)c1 ZINC001350480306 1180077525 /nfs/dbraw/zinc/07/75/25/1180077525.db2.gz QUZBAPWEFRQIER-UHFFFAOYSA-N 0 0 316.449 3.013 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001350536057 1180084030 /nfs/dbraw/zinc/08/40/30/1180084030.db2.gz PTIANFDWBIOGQC-BTTYYORXSA-N 0 0 324.371 3.358 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N3CCC[C@H]3C(F)F)ccc21 ZINC001350881969 1180137500 /nfs/dbraw/zinc/13/75/00/1180137500.db2.gz QXAJIWQETAKGCB-HNNXBMFYSA-N 0 0 323.387 3.008 20 10 DGCDRN CCO[C@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001351175441 1180182428 /nfs/dbraw/zinc/18/24/28/1180182428.db2.gz ATLOHFXAFSXLLQ-SFHVURJKSA-N 0 0 316.445 3.060 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H]2C[C@H](O)C2)c1 ZINC001351230881 1180188361 /nfs/dbraw/zinc/18/83/61/1180188361.db2.gz YSMQNFFPIZEFKV-MQMHXKEQSA-N 0 0 318.804 3.001 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2nccc3ccsc32)cc1 ZINC001351265580 1180192956 /nfs/dbraw/zinc/19/29/56/1180192956.db2.gz HEOPCTYBMHTSGJ-UHFFFAOYSA-N 0 0 311.410 3.292 20 10 DGCDRN COc1cc(C(F)(F)F)nc(NCc2cc(C)ccc2O)n1 ZINC001351353762 1180203260 /nfs/dbraw/zinc/20/32/60/1180203260.db2.gz SZRZZGYPZJKEOR-UHFFFAOYSA-N 0 0 313.279 3.130 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1C[C@H]1c1ccncc1 ZINC001351666964 1180234736 /nfs/dbraw/zinc/23/47/36/1180234736.db2.gz SDVYTEUCHWKJAW-DLBZAZTESA-N 0 0 322.408 3.086 20 10 DGCDRN CCOc1ccccc1CNC(=O)NCc1cc(C)ccc1O ZINC001352359300 1180325512 /nfs/dbraw/zinc/32/55/12/1180325512.db2.gz FOVUTTFNDLBXHK-UHFFFAOYSA-N 0 0 314.385 3.099 20 10 DGCDRN COC(=O)[C@@](C)(NCc1cc(C)c(C)cc1O)c1ccccc1 ZINC001352879342 1180413773 /nfs/dbraw/zinc/41/37/73/1180413773.db2.gz VBVZLNHKXOPPDX-IBGZPJMESA-N 0 0 313.397 3.187 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cc(F)c3ncccc3c2)cc1 ZINC001353505380 1180573325 /nfs/dbraw/zinc/57/33/25/1180573325.db2.gz YOUITLRTUJPGPI-UHFFFAOYSA-N 0 0 323.371 3.370 20 10 DGCDRN COc1ccc(CNC(=S)N[C@H](C)c2ccccc2O)cc1 ZINC001200365830 1180577944 /nfs/dbraw/zinc/57/79/44/1180577944.db2.gz MZTYBIHCQIZUEH-GFCCVEGCSA-N 0 0 316.426 3.126 20 10 DGCDRN CC(C)c1nnsc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001353646301 1180614007 /nfs/dbraw/zinc/61/40/07/1180614007.db2.gz ZTEPNDSFUPVOMT-LLVKDONJSA-N 0 0 318.446 3.219 20 10 DGCDRN CSCc1cccnc1C(=O)NCc1cc(Cl)ccc1O ZINC001300396533 1180639267 /nfs/dbraw/zinc/63/92/67/1180639267.db2.gz XKHRMPJTJWNCRB-UHFFFAOYSA-N 0 0 322.817 3.234 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1cc(F)ccc1[N+](=O)[O-] ZINC001300397752 1180640497 /nfs/dbraw/zinc/64/04/97/1180640497.db2.gz AUNMYETYICVCRK-UHFFFAOYSA-N 0 0 324.695 3.023 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1(CCF)CC1 ZINC001353911436 1180681345 /nfs/dbraw/zinc/68/13/45/1180681345.db2.gz QQKVJODKAXQMNN-UHFFFAOYSA-N 0 0 304.409 3.385 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(F)ccc1F)c1cc(C(=O)[O-])ccc1O ZINC001604341910 1193066491 /nfs/dbraw/zinc/06/64/91/1193066491.db2.gz MOPYKWAZBZZIDZ-SECBINFHSA-N 0 0 307.296 3.219 20 10 DGCDRN C[C@H]([NH2+]CC[C@@]1(C)C[C@@]1(F)Cl)c1cc(C(=O)[O-])ccc1O ZINC001604338634 1193067048 /nfs/dbraw/zinc/06/70/48/1193067048.db2.gz PRIXQXGXSVQMKK-LNHVQRHZSA-N 0 0 315.772 3.446 20 10 DGCDRN CCCc1cc(C(=O)NCc2ccc(N(CC)CC)cc2)no1 ZINC001355910057 1181112351 /nfs/dbraw/zinc/11/23/51/1181112351.db2.gz HVUDGKFMDALNCF-UHFFFAOYSA-N 0 0 315.417 3.403 20 10 DGCDRN Cc1cc(CC(=O)Nc2ccncc2)c(C)n1-c1ccccc1 ZINC001356544649 1181211557 /nfs/dbraw/zinc/21/15/57/1181211557.db2.gz ZHPSWXOURBDJPK-UHFFFAOYSA-N 0 0 305.381 3.092 20 10 DGCDRN CC1(C)C[C@H]1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001357322735 1181387078 /nfs/dbraw/zinc/38/70/78/1181387078.db2.gz FRDOEAJSXFENBL-INIZCTEOSA-N 0 0 319.360 3.447 20 10 DGCDRN CN1CCCN(C(=O)c2cccc3c2CCN3)c2ccccc21 ZINC001357413072 1181396407 /nfs/dbraw/zinc/39/64/07/1181396407.db2.gz GLZKCUKHGDTZNY-UHFFFAOYSA-N 0 0 307.397 3.141 20 10 DGCDRN COC(=O)c1ccccc1C(=O)Nc1cccc(N2CCCC2)c1 ZINC001357790467 1181427406 /nfs/dbraw/zinc/42/74/06/1181427406.db2.gz BTPSWSZOEBYEIQ-UHFFFAOYSA-N 0 0 324.380 3.326 20 10 DGCDRN Cc1cccc(C(=O)C(=O)Nc2c3nonc3ccc2Cl)c1 ZINC001436139350 1181870722 /nfs/dbraw/zinc/87/07/22/1181870722.db2.gz WWLMSBJOBVSYOF-UHFFFAOYSA-N 0 0 315.716 3.006 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)/C=C\c1ccco1 ZINC001436857695 1181912327 /nfs/dbraw/zinc/91/23/27/1181912327.db2.gz VCZUBGXGMJCHOF-KVPUOBJLSA-N 0 0 312.413 3.415 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)NCc1csc2ccccc12 ZINC001441433569 1182064149 /nfs/dbraw/zinc/06/41/49/1182064149.db2.gz MDOSSCNVMJQJOD-UHFFFAOYSA-N 0 0 313.378 3.171 20 10 DGCDRN O=C(Nc1cc(CC2CCCCC2)[nH]n1)c1cccc(O)c1O ZINC001441932573 1182072201 /nfs/dbraw/zinc/07/22/01/1182072201.db2.gz PAWNOQRDEVRSGH-UHFFFAOYSA-N 0 0 315.373 3.196 20 10 DGCDRN CCCN(Cc1ccc(/C=C/C(=O)[O-])o1)c1ccc(C[NH3+])cc1 ZINC001605318595 1193142771 /nfs/dbraw/zinc/14/27/71/1193142771.db2.gz MYDGAOPUNLHSTG-MDZDMXLPSA-N 0 0 314.385 3.253 20 10 DGCDRN CCC[N@H+](Cc1ccccc1O)[C@@H](C(=O)[O-])c1ccsc1 ZINC001605320956 1193142795 /nfs/dbraw/zinc/14/27/95/1193142795.db2.gz XDBBXFXQOMEZSX-OAHLLOKOSA-N 0 0 305.399 3.492 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CC=C(c3ccccc3)C2)cc1 ZINC001446742083 1182175479 /nfs/dbraw/zinc/17/54/79/1182175479.db2.gz PFIPOIBOXFXHOG-UHFFFAOYSA-N 0 0 320.352 3.388 20 10 DGCDRN Cc1cc(C(=O)N(C)Cc2ncon2)c(C)n1-c1ccccc1C ZINC001447020935 1182181629 /nfs/dbraw/zinc/18/16/29/1182181629.db2.gz QWILGJINJSOAJB-UHFFFAOYSA-N 0 0 324.384 3.058 20 10 DGCDRN C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc2c(c1)CCC2 ZINC001447176195 1182184100 /nfs/dbraw/zinc/18/41/00/1182184100.db2.gz NOCOLSSGSSCAMF-BCRSCGJKSA-N 0 0 323.392 3.477 20 10 DGCDRN CCN(C(=O)Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccsc1 ZINC001448124447 1182202229 /nfs/dbraw/zinc/20/22/29/1182202229.db2.gz QHZCHIBUSMLCTA-GFCCVEGCSA-N 0 0 319.426 3.182 20 10 DGCDRN COc1ccc(CNC(=O)/C=C/CCc2ccccc2)c(O)c1 ZINC001448384902 1182206506 /nfs/dbraw/zinc/20/65/06/1182206506.db2.gz SQSGRHWNPDAOHD-UXBLZVDNSA-N 0 0 311.381 3.206 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCCc3occc3C2)cc1 ZINC001450747073 1182256934 /nfs/dbraw/zinc/25/69/34/1182256934.db2.gz QIVBRHOAYWQPOG-UHFFFAOYSA-N 0 0 312.329 3.031 20 10 DGCDRN CC[N@H+](Cc1cc(C(=O)[O-])oc1C)Cc1ccc(N(C)C)cc1 ZINC001605457000 1193152764 /nfs/dbraw/zinc/15/27/64/1193152764.db2.gz SRXPTPRHCBHGQF-UHFFFAOYSA-N 0 0 316.401 3.374 20 10 DGCDRN Cc1c(NC(=O)C2=CC(=O)CS2)cnn1-c1ccc(F)cc1 ZINC001452806422 1182300996 /nfs/dbraw/zinc/30/09/96/1182300996.db2.gz WEQFQUDKJDPMQK-UHFFFAOYSA-N 0 0 317.345 3.339 20 10 DGCDRN Cc1cc(CNC(=O)c2ccc(C=O)[nH]2)c(C)n1-c1ccccc1 ZINC001454623085 1182349131 /nfs/dbraw/zinc/34/91/31/1182349131.db2.gz GIUGBGUNGWHKKA-UHFFFAOYSA-N 0 0 321.380 3.165 20 10 DGCDRN CC[C@@](C)(O)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001454623861 1182349180 /nfs/dbraw/zinc/34/91/80/1182349180.db2.gz IYIOOLHITZQIJU-LJQANCHMSA-N 0 0 314.429 3.180 20 10 DGCDRN C[C@H](NC(=O)Cc1cn(C)c2ccccc12)c1ccccc1O ZINC001454822172 1182353362 /nfs/dbraw/zinc/35/33/62/1182353362.db2.gz XTCMMEXWWBIOEM-ZDUSSCGKSA-N 0 0 308.381 3.304 20 10 DGCDRN C[C@@H](NC(=O)COc1ccc(F)c(Cl)c1)c1ccccc1O ZINC001454806738 1182353681 /nfs/dbraw/zinc/35/36/81/1182353681.db2.gz MWDIURPKCHIGFV-SNVBAGLBSA-N 0 0 323.751 3.441 20 10 DGCDRN CCSCc1ccc(C(=O)NCc2cc(O)ccc2O)cc1 ZINC001455356586 1182367407 /nfs/dbraw/zinc/36/74/07/1182367407.db2.gz JPTGRUJFTSRXGK-UHFFFAOYSA-N 0 0 317.410 3.281 20 10 DGCDRN Cc1ccc(N(CC2CC2)C(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001455811842 1182384000 /nfs/dbraw/zinc/38/40/00/1182384000.db2.gz AYMWPWDGAUQCAG-UHFFFAOYSA-N 0 0 311.381 3.392 20 10 DGCDRN Cn1cc(C(=O)NCc2c(O)cccc2F)c2cc(F)ccc21 ZINC001456031454 1182394360 /nfs/dbraw/zinc/39/43/60/1182394360.db2.gz XKWJDFCJZUATAR-UHFFFAOYSA-N 0 0 316.307 3.092 20 10 DGCDRN O=C(Cc1cccc(Cl)c1F)NCc1c(O)cccc1F ZINC001456030075 1182394817 /nfs/dbraw/zinc/39/48/17/1182394817.db2.gz QAJIDLZLANUTLW-UHFFFAOYSA-N 0 0 311.715 3.183 20 10 DGCDRN C[C@@H](Oc1ccccc1Cl)C(=O)NCc1c(O)cccc1F ZINC001456101586 1182398044 /nfs/dbraw/zinc/39/80/44/1182398044.db2.gz SRNLGILEDVZMLP-SNVBAGLBSA-N 0 0 323.751 3.268 20 10 DGCDRN COC(=O)c1ccc2[nH]c(CSc3nccs3)nc2c1 ZINC001458909784 1182558078 /nfs/dbraw/zinc/55/80/78/1182558078.db2.gz IOMCPEHMBHMLKO-UHFFFAOYSA-N 0 0 305.384 3.098 20 10 DGCDRN Cc1cc(C(=O)Cn2cnc(Cl)n2)c(C)n1-c1ccccc1 ZINC001459111460 1182569083 /nfs/dbraw/zinc/56/90/83/1182569083.db2.gz GXDWZCOWRQSCGY-UHFFFAOYSA-N 0 0 314.776 3.222 20 10 DGCDRN COC(=O)c1coc(CN(CC2CC2)c2ccc(OC)cc2)c1 ZINC001460129064 1182654097 /nfs/dbraw/zinc/65/40/97/1182654097.db2.gz LNGAQIXAGUWUAW-UHFFFAOYSA-N 0 0 315.369 3.491 20 10 DGCDRN Cc1ncccc1/C=C/C(=O)N(C)c1cnc2ccccc2n1 ZINC001460583325 1182697936 /nfs/dbraw/zinc/69/79/36/1182697936.db2.gz VKUOHCUQZGOOTN-MDZDMXLPSA-N 0 0 304.353 3.009 20 10 DGCDRN Cc1nocc1NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC001461729552 1182847819 /nfs/dbraw/zinc/84/78/19/1182847819.db2.gz NCWXHAPPHZYCOW-UHFFFAOYSA-N 0 0 316.361 3.494 20 10 DGCDRN OCCC[N@H+](Cc1ccccc1)Cc1ccc(Cl)cc1O ZINC001461947744 1182882546 /nfs/dbraw/zinc/88/25/46/1182882546.db2.gz DSQHOZHWVOPITD-UHFFFAOYSA-N 0 0 305.805 3.430 20 10 DGCDRN CN(C)c1nc(Cl)c(CN(C)Cc2ccccc2O)s1 ZINC001461967545 1182887576 /nfs/dbraw/zinc/88/75/76/1182887576.db2.gz OQVIOQYBNXDAHD-UHFFFAOYSA-N 0 0 311.838 3.200 20 10 DGCDRN CCc1cccc(CN2CCc3cc(C(=O)OC)ccc32)c1O ZINC001462131556 1182913232 /nfs/dbraw/zinc/91/32/32/1182913232.db2.gz ZOHYOIPLSSRFNH-UHFFFAOYSA-N 0 0 311.381 3.304 20 10 DGCDRN COC1(c2ccccc2)CN(Cc2cc(F)c(F)cc2O)C1 ZINC001462205153 1182924076 /nfs/dbraw/zinc/92/40/76/1182924076.db2.gz DNPFPHIIYNBPGC-UHFFFAOYSA-N 0 0 305.324 3.028 20 10 DGCDRN CC[C@@H]1COC(C)(C)CN1Cc1cc(F)c(N(C)C)cc1F ZINC001462411614 1182949587 /nfs/dbraw/zinc/94/95/87/1182949587.db2.gz FCQPWRXZPWSRDE-CYBMUJFWSA-N 0 0 312.404 3.420 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC001462418755 1182950613 /nfs/dbraw/zinc/95/06/13/1182950613.db2.gz AUSOVHTXJIXJOT-UHFFFAOYSA-N 0 0 317.698 3.144 20 10 DGCDRN COc1ccc(C[NH2+]Cc2cc(F)c(F)cc2[O-])c(C)c1OC ZINC001462601608 1182975415 /nfs/dbraw/zinc/97/54/15/1182975415.db2.gz DXTZZGPWTPQZMD-UHFFFAOYSA-N 0 0 323.339 3.286 20 10 DGCDRN CN(Cc1cccs1)c1ccc(C[NH2+]C(C)(C)C(=O)[O-])cc1 ZINC001606170944 1193193239 /nfs/dbraw/zinc/19/32/39/1193193239.db2.gz KDCNDHVLSZYLKF-UHFFFAOYSA-N 0 0 318.442 3.337 20 10 DGCDRN Cc1cnccc1CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001464055827 1183066923 /nfs/dbraw/zinc/06/69/23/1183066923.db2.gz FNRIFAXPJDQADF-UHFFFAOYSA-N 0 0 323.440 3.190 20 10 DGCDRN C[C@H](NS(=O)(=O)/C=C/c1ccc(F)cc1)c1ccccc1O ZINC001464275248 1183082366 /nfs/dbraw/zinc/08/23/66/1183082366.db2.gz WDUBODQHTJDMRC-IIANPFDCSA-N 0 0 321.373 3.183 20 10 DGCDRN CCCC[C@@H](O)CCC(=O)NCc1ccc(N(C)C)cc1C ZINC001465028510 1183126181 /nfs/dbraw/zinc/12/61/81/1183126181.db2.gz GHAYBUFEDYZZDI-QGZVFWFLSA-N 0 0 306.450 3.009 20 10 DGCDRN O=C(Nc1ccccc1-n1cccn1)N1Cc2cccc(O)c2C1 ZINC001465216252 1183137165 /nfs/dbraw/zinc/13/71/65/1183137165.db2.gz OXXUSOOIEXPMAN-UHFFFAOYSA-N 0 0 320.352 3.126 20 10 DGCDRN O=C(Nc1c(F)cccc1NC1CC1)c1cccc(O)c1O ZINC001465621247 1183159961 /nfs/dbraw/zinc/15/99/61/1183159961.db2.gz ABDSPUBTXARRLC-UHFFFAOYSA-N 0 0 302.305 3.064 20 10 DGCDRN CCOc1cccc(C(=O)NCc2cccc(Cl)c2O)c1 ZINC001606860825 1193206559 /nfs/dbraw/zinc/20/65/59/1193206559.db2.gz VOHNMZSZXQIDTK-UHFFFAOYSA-N 0 0 305.761 3.374 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1Cc2ccccc2S1 ZINC001606860508 1193206643 /nfs/dbraw/zinc/20/66/43/1193206643.db2.gz OGDDXVZMDLHVRO-AWEZNQCLSA-N 0 0 319.813 3.379 20 10 DGCDRN Cc1nn(C)c2cc(NC(=O)N3Cc4cccc(O)c4C3)ccc12 ZINC001466617841 1183214217 /nfs/dbraw/zinc/21/42/17/1183214217.db2.gz NFHJZEKAJSGZTE-UHFFFAOYSA-N 0 0 322.368 3.135 20 10 DGCDRN COc1ccc(CNC(=O)Nc2ccc3ccccc3n2)c(O)c1 ZINC001467106331 1183241237 /nfs/dbraw/zinc/24/12/37/1183241237.db2.gz GACPHQTYISIPDX-UHFFFAOYSA-N 0 0 323.352 3.271 20 10 DGCDRN Cc1cc(NC(=O)NCc2ccc(N(C)C)cc2)cc(Cl)n1 ZINC001467365560 1183257844 /nfs/dbraw/zinc/25/78/44/1183257844.db2.gz MYGGYPHLZQPFCP-UHFFFAOYSA-N 0 0 318.808 3.431 20 10 DGCDRN C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)C1(C)CC1 ZINC001468320009 1183325380 /nfs/dbraw/zinc/32/53/80/1183325380.db2.gz LLOCYOJNOUXZTJ-CYBMUJFWSA-N 0 0 301.434 3.057 20 10 DGCDRN CC(C)[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)C1CC1 ZINC001468318625 1183325780 /nfs/dbraw/zinc/32/57/80/1183325780.db2.gz DVQLJWPVVBEQLB-GOSISDBHSA-N 0 0 315.461 3.303 20 10 DGCDRN CC(C)C[C@@H]1C[C@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001468349325 1183327633 /nfs/dbraw/zinc/32/76/33/1183327633.db2.gz KRAADZXHYYNGGE-UKRRQHHQSA-N 0 0 307.413 3.126 20 10 DGCDRN C[C@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC(C)(C)C1 ZINC001468348895 1183327862 /nfs/dbraw/zinc/32/78/62/1183327862.db2.gz GITFXTGYHMFWCM-CYBMUJFWSA-N 0 0 321.440 3.469 20 10 DGCDRN CON(C(=O)Cc1ccc(O)c(O)c1)[C@H](C)c1ccccc1C ZINC001468625365 1183347796 /nfs/dbraw/zinc/34/77/96/1183347796.db2.gz YMRPWWIYAOPLMB-CYBMUJFWSA-N 0 0 315.369 3.100 20 10 DGCDRN CCNC(=O)Nc1c(C)cccc1NC(=O)C1=CC(=O)CS1 ZINC001468779929 1183358674 /nfs/dbraw/zinc/35/86/74/1183358674.db2.gz KNXAXHQBFWVOCS-UHFFFAOYSA-N 0 0 319.386 3.156 20 10 DGCDRN C[C@H](C(=O)NCc1ccc2cccnc2c1O)c1ccccc1F ZINC001469249029 1183394230 /nfs/dbraw/zinc/39/42/30/1183394230.db2.gz LHGXCISJDQPWFK-LBPRGKRZSA-N 0 0 324.355 3.499 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC001470258825 1183473277 /nfs/dbraw/zinc/47/32/77/1183473277.db2.gz ZKUQSIGAGMNSDV-UHFFFAOYSA-N 0 0 314.341 3.156 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC/C=C\C1CC1 ZINC001470343809 1183480062 /nfs/dbraw/zinc/48/00/62/1183480062.db2.gz QZDXHWYUTGTXHA-IYKSTZQJSA-N 0 0 315.461 3.257 20 10 DGCDRN CS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)C1 ZINC001607391349 1193226977 /nfs/dbraw/zinc/22/69/77/1193226977.db2.gz JZJDYAGZVOEHSL-CYZMBNFOSA-N 0 0 309.431 3.415 20 10 DGCDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccccc2O)c1 ZINC001471195426 1183545660 /nfs/dbraw/zinc/54/56/60/1183545660.db2.gz HXRKNPCMSLYDFQ-LLVKDONJSA-N 0 0 300.314 3.100 20 10 DGCDRN Cc1cc(C(=O)N2CC=C[C@H]2CO)c(C)n1-c1cc(C)cc(C)c1 ZINC001471527103 1183571017 /nfs/dbraw/zinc/57/10/17/1183571017.db2.gz NWGKZNNYJYMVLK-KRWDZBQOSA-N 0 0 324.424 3.084 20 10 DGCDRN C[C@@H](C(=O)NCc1c(O)cccc1F)c1ccc(F)cc1F ZINC001471976254 1183604393 /nfs/dbraw/zinc/60/43/93/1183604393.db2.gz USWBHGVVZGNHFO-SECBINFHSA-N 0 0 309.287 3.229 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC001471975802 1183604470 /nfs/dbraw/zinc/60/44/70/1183604470.db2.gz HXHJRZAJCAXQPF-ZYHUDNBSSA-N 0 0 321.298 3.229 20 10 DGCDRN O=C(C[C@H]1CCCc2ccccc21)NCc1c(O)cccc1O ZINC001472063018 1183612414 /nfs/dbraw/zinc/61/24/14/1183612414.db2.gz BZEXPMQTSMQDSJ-CQSZACIVSA-N 0 0 311.381 3.224 20 10 DGCDRN CCN(CC(=O)NCc1cccc(Cl)c1O)c1ccccc1 ZINC001472316620 1183634267 /nfs/dbraw/zinc/63/42/67/1183634267.db2.gz ZVLDBIYXKKNIFJ-UHFFFAOYSA-N 0 0 318.804 3.188 20 10 DGCDRN COc1cccc(CNc2cccc(Br)n2)c1O ZINC001472685191 1183666900 /nfs/dbraw/zinc/66/69/00/1183666900.db2.gz WUAMCCIUWRDCAJ-UHFFFAOYSA-N 0 0 309.163 3.170 20 10 DGCDRN CSc1cc(NCc2c(O)cccc2F)nc(SC)n1 ZINC001472883143 1183695368 /nfs/dbraw/zinc/69/53/68/1183695368.db2.gz HJMMZYUFWUADOD-UHFFFAOYSA-N 0 0 311.407 3.377 20 10 DGCDRN COc1ccc2c(c1)CCCCN2Cc1cnn(CCF)c1 ZINC001473289134 1183740961 /nfs/dbraw/zinc/74/09/61/1183740961.db2.gz IOTANGHYKZNWDI-UHFFFAOYSA-N 0 0 303.381 3.204 20 10 DGCDRN COc1ccc(N(C)Cc2cc3ccccc3n(C)c2=O)cc1 ZINC001473613357 1183781444 /nfs/dbraw/zinc/78/14/44/1183781444.db2.gz QUYJYTILJGVFMG-UHFFFAOYSA-N 0 0 308.381 3.184 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H](CO)C1CCCCC1 ZINC001474024426 1183852932 /nfs/dbraw/zinc/85/29/32/1183852932.db2.gz KKBBGKWFPHWIRO-AWEZNQCLSA-N 0 0 301.789 3.216 20 10 DGCDRN CCS[C@@H]1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001474038127 1183856502 /nfs/dbraw/zinc/85/65/02/1183856502.db2.gz LRXBBEDUMGSERO-GXTWGEPZSA-N 0 0 310.419 3.454 20 10 DGCDRN Cn1cnc(-c2cccc(NCc3cc(F)cc(F)c3O)c2)n1 ZINC001474254150 1183890456 /nfs/dbraw/zinc/89/04/56/1183890456.db2.gz XFCBAWDVXHZKKO-UHFFFAOYSA-N 0 0 316.311 3.078 20 10 DGCDRN c1cc2ncc(NCc3ccc(N4CCCCC4)cc3)cn2n1 ZINC001474296731 1183898487 /nfs/dbraw/zinc/89/84/87/1183898487.db2.gz PYNWTYLWHKISMB-UHFFFAOYSA-N 0 0 307.401 3.332 20 10 DGCDRN COc1ccc(CNCc2ncccc2Br)cc1C ZINC001474299163 1183899620 /nfs/dbraw/zinc/89/96/20/1183899620.db2.gz TYIKPEQEYWHCOH-UHFFFAOYSA-N 0 0 321.218 3.451 20 10 DGCDRN COc1cc(C)c(CNc2cccc(-c3ncn(C)n3)c2)c(O)c1 ZINC001474427889 1183920782 /nfs/dbraw/zinc/92/07/82/1183920782.db2.gz OIHGYYSQHLDUKY-UHFFFAOYSA-N 0 0 324.384 3.117 20 10 DGCDRN CC[N@H+](CCOc1ccccc1OC)Cc1cc(F)ccc1O ZINC001474646383 1183954994 /nfs/dbraw/zinc/95/49/94/1183954994.db2.gz SRGXVDVIJLDTSS-UHFFFAOYSA-N 0 0 319.376 3.441 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)Nc1cccc([N+](=O)[O-])c1 ZINC001475937586 1184023197 /nfs/dbraw/zinc/02/31/97/1184023197.db2.gz MODJZBWAEVBRTN-UHFFFAOYSA-N 0 0 321.720 3.276 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@H]2CCCC3(CC3)C2)cc1 ZINC001477443381 1184089871 /nfs/dbraw/zinc/08/98/71/1184089871.db2.gz ICQLOLBBLRGQOB-HNNXBMFYSA-N 0 0 301.434 3.275 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCCCCC1CC1 ZINC001477855145 1184115016 /nfs/dbraw/zinc/11/50/16/1184115016.db2.gz QDDMMZHINZKJFW-UHFFFAOYSA-N 0 0 303.450 3.441 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1C[C@@]1(C)C(C)C ZINC001477855783 1184115231 /nfs/dbraw/zinc/11/52/31/1184115231.db2.gz WDYNXQUBRDLGFY-WMZOPIPTSA-N 0 0 303.450 3.295 20 10 DGCDRN O=C([O-])[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccccc1F ZINC001608548387 1193292605 /nfs/dbraw/zinc/29/26/05/1193292605.db2.gz MJUNYYFQXYROFW-CQSZACIVSA-N 0 0 309.724 3.100 20 10 DGCDRN COC1CCC(CC[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)CC1 ZINC001610234698 1193379278 /nfs/dbraw/zinc/37/92/78/1193379278.db2.gz QJYZUJMVYSNHBO-DNOWBOINSA-N 0 0 321.417 3.336 20 10 DGCDRN Cc1ccncc1[C@@H](C)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001610537073 1193397033 /nfs/dbraw/zinc/39/70/33/1193397033.db2.gz WTLFYBHOLYARPJ-VXGBXAGGSA-N 0 0 300.358 3.206 20 10 DGCDRN O=C([O-])c1cc2ccccc2c(C[N@@H+]2CCCSCC2)c1O ZINC001610818539 1193410077 /nfs/dbraw/zinc/41/00/77/1193410077.db2.gz IUMZBGOOBMSYKV-UHFFFAOYSA-N 0 0 317.410 3.183 20 10 DGCDRN Cc1cc(CC(=O)NOC(C)(C)C)c(C)n1-c1ccccc1 ZINC001611059140 1193421304 /nfs/dbraw/zinc/42/13/04/1193421304.db2.gz LBFADNFORPEZIL-UHFFFAOYSA-N 0 0 300.402 3.483 20 10 DGCDRN CCN(CC)c1ccc(CNc2cc(C)nc(OC)n2)cc1F ZINC001611961428 1193444115 /nfs/dbraw/zinc/44/41/15/1193444115.db2.gz BZQIZRMRLDCTTJ-UHFFFAOYSA-N 0 0 318.396 3.391 20 10 DGCDRN C[C@@H](NC(=O)c1cncc2[nH]ccc21)c1ccc(N(C)C)cc1 ZINC001517366427 1186810371 /nfs/dbraw/zinc/81/03/71/1186810371.db2.gz DZVWNCRSKGJKOM-GFCCVEGCSA-N 0 0 308.385 3.120 20 10 DGCDRN O=C(NC[C@@H]1C[C@@H]1C1CCCC1)N1Cc2cccc(O)c2C1 ZINC001521342140 1187016290 /nfs/dbraw/zinc/01/62/90/1187016290.db2.gz CVEQTRWBHFUNKE-LSDHHAIUSA-N 0 0 300.402 3.244 20 10 DGCDRN Cc1cccc(C2(C(=O)NCc3cccc(O)c3O)CCC2)c1 ZINC001521852215 1187052468 /nfs/dbraw/zinc/05/24/68/1187052468.db2.gz SLOILSYWVIQKOL-UHFFFAOYSA-N 0 0 311.381 3.144 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C\C1CCCC1 ZINC001523541528 1187170686 /nfs/dbraw/zinc/17/06/86/1187170686.db2.gz FZUNAUIJEPFYGR-YFHOEESVSA-N 0 0 300.402 3.224 20 10 DGCDRN Cc1ncccc1/C=C\C(=O)N1C[C@@H](C)Oc2cc(F)ccc21 ZINC001523588046 1187174053 /nfs/dbraw/zinc/17/40/53/1187174053.db2.gz VGMREMYJIHRYBB-VVEJJEBESA-N 0 0 312.344 3.356 20 10 DGCDRN C/C(=C\c1cccnc1)C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC001526959163 1187401591 /nfs/dbraw/zinc/40/15/91/1187401591.db2.gz PXFZHUPPSMKXRO-MDWZMJQESA-N 0 0 323.352 3.291 20 10 DGCDRN Cc1cc(C)cc(CC(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC001527013522 1187406157 /nfs/dbraw/zinc/40/61/57/1187406157.db2.gz HSEFDBVWZAQBEA-UHFFFAOYSA-N 0 0 314.404 3.367 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2CC[C@@H](C)O2)cc1 ZINC001527731995 1187445465 /nfs/dbraw/zinc/44/54/65/1187445465.db2.gz GWYPOGKVGZETSS-QAPCUYQASA-N 0 0 312.413 3.391 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2CC[C@@H](C)O2)cc1 ZINC001527731993 1187445660 /nfs/dbraw/zinc/44/56/60/1187445660.db2.gz GWYPOGKVGZETSS-CRAIPNDOSA-N 0 0 312.413 3.391 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)N1CCOc2c(F)c(F)ccc21 ZINC001528833865 1187515834 /nfs/dbraw/zinc/51/58/34/1187515834.db2.gz YOIXMAGCBWQUSW-GORDUTHDSA-N 0 0 316.307 3.107 20 10 DGCDRN C[C@@H](NC(=O)c1ccc2cnccc2n1)c1ccc(N(C)C)cc1 ZINC001529479934 1187562304 /nfs/dbraw/zinc/56/23/04/1187562304.db2.gz NTJNWFSJMDSCTE-CYBMUJFWSA-N 0 0 320.396 3.187 20 10 DGCDRN CO[C@@H](C)CCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001531694415 1187705794 /nfs/dbraw/zinc/70/57/94/1187705794.db2.gz RTFUBXUIBCZCEV-HNNXBMFYSA-N 0 0 304.434 3.060 20 10 DGCDRN COc1ccc(N(CCc2ccccc2)CCn2cncn2)cc1 ZINC001616056628 1193532512 /nfs/dbraw/zinc/53/25/12/1193532512.db2.gz VDMBANVAVOVMOK-UHFFFAOYSA-N 0 0 322.412 3.036 20 10 DGCDRN Cc1coc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC001536549162 1188016730 /nfs/dbraw/zinc/01/67/30/1188016730.db2.gz BSTXANFPRJOHEE-AWEZNQCLSA-N 0 0 300.402 3.323 20 10 DGCDRN Cc1ccc(/C=C\C(=O)N2CCOc3c(F)cc(F)cc32)cn1 ZINC001616248084 1193533967 /nfs/dbraw/zinc/53/39/67/1193533967.db2.gz YNQGKZCURQKLHM-PLNGDYQASA-N 0 0 316.307 3.107 20 10 DGCDRN COc1ccc(N(C)CC[C@@H](O)c2ccccc2)c(OC)c1 ZINC001616477129 1193540346 /nfs/dbraw/zinc/54/03/46/1193540346.db2.gz RXRGOLGLMNCMBH-QGZVFWFLSA-N 0 0 301.386 3.264 20 10 DGCDRN C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1ccccn1 ZINC001540296967 1188229604 /nfs/dbraw/zinc/22/96/04/1188229604.db2.gz COZOOFNTFJCHQY-VIFPVBQESA-N 0 0 314.366 3.199 20 10 DGCDRN O=C(Nc1cccc(N2CCCC2)c1)c1cccc(O)c1F ZINC001542115731 1188276780 /nfs/dbraw/zinc/27/67/80/1188276780.db2.gz IQRPZNXWBBQTAV-UHFFFAOYSA-N 0 0 300.333 3.384 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N(Cc2ccncc2)C2CC2)cc1 ZINC001542204834 1188279566 /nfs/dbraw/zinc/27/95/66/1188279566.db2.gz HQNRJQDNZHUBKU-UHFFFAOYSA-N 0 0 323.356 3.049 20 10 DGCDRN Cc1cc(NC(=O)Cc2ccc(O)c(O)c2)ccc1OC(C)C ZINC001543990363 1188372748 /nfs/dbraw/zinc/37/27/48/1188372748.db2.gz WSAYAHJECADYFJ-UHFFFAOYSA-N 0 0 315.369 3.375 20 10 DGCDRN CCN(C(=O)c1cccc(O)c1O)[C@H](C)Cc1ccsc1 ZINC001617186785 1193561020 /nfs/dbraw/zinc/56/10/20/1193561020.db2.gz OQYHDGIMHUNWDR-LLVKDONJSA-N 0 0 305.399 3.253 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2ccnc3ccncc32)cc1 ZINC001545242046 1188425828 /nfs/dbraw/zinc/42/58/28/1188425828.db2.gz BBADAYTUKBWJIT-UHFFFAOYSA-N 0 0 320.312 3.045 20 10 DGCDRN Cc1ccc(-c2ncco2)cc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001556089273 1188983454 /nfs/dbraw/zinc/98/34/54/1188983454.db2.gz BAUMSLGELLYJLZ-UHFFFAOYSA-N 0 0 324.336 3.242 20 10 DGCDRN Cc1noc(-c2ccccc2)c1NC(=O)c1cccc(O)c1O ZINC001556103116 1188984569 /nfs/dbraw/zinc/98/45/69/1188984569.db2.gz HQHWYEGODIZPTE-UHFFFAOYSA-N 0 0 310.309 3.314 20 10 DGCDRN C[C@H]1CC[C@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC001556468173 1189002877 /nfs/dbraw/zinc/00/28/77/1189002877.db2.gz BHZFRGLZSDJEBI-UWVGGRQHSA-N 0 0 305.399 3.479 20 10 DGCDRN C[C@H]1CC[C@@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC001556468174 1189003010 /nfs/dbraw/zinc/00/30/10/1189003010.db2.gz BHZFRGLZSDJEBI-VHSXEESVSA-N 0 0 305.399 3.479 20 10 DGCDRN C[C@H]1C[C@H](c2ccccc2)N(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001556530035 1189005723 /nfs/dbraw/zinc/00/57/23/1189005723.db2.gz YRXWMZHGBDIYTE-XJKSGUPXSA-N 0 0 311.381 3.250 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CC2(CCC2)[C@@H]1c1ccccc1 ZINC001556830300 1189023392 /nfs/dbraw/zinc/02/33/92/1189023392.db2.gz AKEWJKYYZVVQKJ-IBGZPJMESA-N 0 0 323.392 3.394 20 10 DGCDRN O=C(/C=C/COc1ccccc1)NCc1cc(Cl)ccc1O ZINC001557386951 1189060936 /nfs/dbraw/zinc/06/09/36/1189060936.db2.gz OLQVNTVZXDRGCK-QPJJXVBHSA-N 0 0 317.772 3.297 20 10 DGCDRN Cc1c2ccccc2oc(=O)c1C(=O)N[C@@H](C)c1ccccc1O ZINC001557968225 1189096174 /nfs/dbraw/zinc/09/61/74/1189096174.db2.gz UZHRZBFFDFBLPD-LBPRGKRZSA-N 0 0 323.348 3.298 20 10 DGCDRN C[C@@H](C(=O)N1Cc2cccc(O)c2C1)c1ccc(F)c(F)c1 ZINC001558035328 1189100707 /nfs/dbraw/zinc/10/07/07/1189100707.db2.gz GRYVKIPSQKZTHJ-SNVBAGLBSA-N 0 0 303.308 3.316 20 10 DGCDRN O=C(c1ccccc1OC(F)F)N1Cc2cccc(O)c2C1 ZINC001558035808 1189100861 /nfs/dbraw/zinc/10/08/61/1189100861.db2.gz MRPUYAXBQHSNCL-UHFFFAOYSA-N 0 0 305.280 3.150 20 10 DGCDRN O=C(N1Cc2cccc(O)c2C1)C(F)(F)c1ccc(F)cc1 ZINC001558035446 1189100884 /nfs/dbraw/zinc/10/08/84/1189100884.db2.gz JFPWMKAFWFHFBF-UHFFFAOYSA-N 0 0 307.271 3.166 20 10 DGCDRN Cc1ccccc1-n1cc(C(=O)N2Cc3cccc(O)c3C2)cn1 ZINC001558035728 1189101055 /nfs/dbraw/zinc/10/10/55/1189101055.db2.gz NNSUPBMJDMFZIF-UHFFFAOYSA-N 0 0 319.364 3.042 20 10 DGCDRN Cc1cc2cc(C(=O)NCc3c(O)cccc3O)oc2cc1C ZINC001558534690 1189132209 /nfs/dbraw/zinc/13/22/09/1189132209.db2.gz WWBMAPVLLIGLPU-UHFFFAOYSA-N 0 0 311.337 3.391 20 10 DGCDRN Cc1nccn1CCCC(=O)NCc1c(O)ccc2ccccc21 ZINC001558554246 1189133001 /nfs/dbraw/zinc/13/30/01/1189133001.db2.gz NJBYYLCSHAIHMG-UHFFFAOYSA-N 0 0 323.396 3.147 20 10 DGCDRN Cc1ccc(O)cc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001558554092 1189133274 /nfs/dbraw/zinc/13/32/74/1189133274.db2.gz JILXTZDLRQXORI-UHFFFAOYSA-N 0 0 307.349 3.489 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC(=O)CC[C@H]2C)cc1 ZINC001558650619 1189140075 /nfs/dbraw/zinc/14/00/75/1189140075.db2.gz XBSNOAWNZSBWPT-CYBMUJFWSA-N 0 0 310.397 3.288 20 10 DGCDRN O=C(Cc1c[nH]c2ccccc12)NCc1cccc(Cl)c1O ZINC001558757067 1189146635 /nfs/dbraw/zinc/14/66/35/1189146635.db2.gz NRVNDFZNXVPYNV-UHFFFAOYSA-N 0 0 314.772 3.386 20 10 DGCDRN CCCOc1ccnc(NCc2ccc(N(C)C)cc2C)n1 ZINC001559102133 1189170487 /nfs/dbraw/zinc/17/04/87/1189170487.db2.gz HLERABIAIPCZNI-UHFFFAOYSA-N 0 0 300.406 3.252 20 10 DGCDRN COc1ccc(N(C)CC(=O)N(C)[C@@H]2CCCC[C@H]2C)cc1 ZINC001559970046 1189263883 /nfs/dbraw/zinc/26/38/83/1189263883.db2.gz ZVWBXAVMWKAHEX-RHSMWYFYSA-N 0 0 304.434 3.169 20 10 DGCDRN CCN(C)c1ccc(CN2C[C@H](C)O[C@@](C)(C(F)F)C2)cc1 ZINC001560014163 1189268458 /nfs/dbraw/zinc/26/84/58/1189268458.db2.gz LWDUNWXOOGIJSN-SUMWQHHRSA-N 0 0 312.404 3.387 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1ccc2nonc2c1 ZINC001560612394 1189348429 /nfs/dbraw/zinc/34/84/29/1189348429.db2.gz KFQFXQWPRJLNSD-UHFFFAOYSA-N 0 0 307.712 3.011 20 10 DGCDRN COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])CCO2 ZINC001560730770 1189369918 /nfs/dbraw/zinc/36/99/18/1189369918.db2.gz CPNGUUDYOGFORW-CQSZACIVSA-N 0 0 321.323 3.292 20 10 DGCDRN COC(=O)c1cnc([C@@H](C)N(C)c2ccc(OC)cc2)s1 ZINC001560918227 1189405655 /nfs/dbraw/zinc/40/56/55/1189405655.db2.gz NGUJSEYRCCTMPF-SNVBAGLBSA-N 0 0 306.387 3.136 20 10 DGCDRN CN(C)c1cc(F)c(CN2Cc3cccc(O)c3C2)cc1F ZINC001560978012 1189414520 /nfs/dbraw/zinc/41/45/20/1189414520.db2.gz KBSDIEMFIRXGHN-UHFFFAOYSA-N 0 0 304.340 3.252 20 10 DGCDRN Cn1nc(CNCc2ccc(Cl)cc2O)cc1C(F)(F)F ZINC001561042204 1189425013 /nfs/dbraw/zinc/42/50/13/1189425013.db2.gz SKBIVXNWNFLJLD-UHFFFAOYSA-N 0 0 319.714 3.088 20 10 DGCDRN CC[C@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@H]1CC1(C)C ZINC001563609552 1189523047 /nfs/dbraw/zinc/52/30/47/1189523047.db2.gz DWKHOWJYOMRTPQ-CVEARBPZSA-N 0 0 303.450 3.377 20 10 DGCDRN COc1ccc(CNC(=O)NC[C@@H]2CC3CCC2CC3)c(O)c1 ZINC001564967240 1189610588 /nfs/dbraw/zinc/61/05/88/1189610588.db2.gz QQVGBSFDEGBBJX-PIMMBPRGSA-N 0 0 318.417 3.026 20 10 DGCDRN CC(C)[C@H](Cc1ccccc1)NC(=O)NCc1ccccc1O ZINC001565351311 1189639404 /nfs/dbraw/zinc/63/94/04/1189639404.db2.gz CYFPVFVWXILLPF-KRWDZBQOSA-N 0 0 312.413 3.459 20 10 DGCDRN C[C@H](NC(=O)c1cc(C=O)ccc1F)c1ccc(N(C)C)cc1 ZINC001567777061 1190295858 /nfs/dbraw/zinc/29/58/58/1190295858.db2.gz ICPYXPIVVSEYFN-LBPRGKRZSA-N 0 0 314.360 3.195 20 10 DGCDRN CN(C(=O)/C=C/c1ccc(O)c(O)c1)c1cccc2cccnc21 ZINC001567969782 1190380424 /nfs/dbraw/zinc/38/04/24/1190380424.db2.gz OXWSJJSXFXQZQU-CSKARUKUSA-N 0 0 320.348 3.322 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C)cc1OC ZINC001568737493 1190584268 /nfs/dbraw/zinc/58/42/68/1190584268.db2.gz ANMDGPLUYOSOCZ-UHFFFAOYSA-N 0 0 320.385 3.125 20 10 DGCDRN CC(C)Nc1cccc(F)c1NC(=O)c1cccc(O)c1O ZINC001570860901 1190967498 /nfs/dbraw/zinc/96/74/98/1190967498.db2.gz DODKFEKBGODVBX-UHFFFAOYSA-N 0 0 304.321 3.310 20 10 DGCDRN C[C@H](Cc1ccsc1)N(C)C(=O)NCCc1ccc(N)cc1 ZINC001576065369 1191526306 /nfs/dbraw/zinc/52/63/06/1191526306.db2.gz CHRYICQEJITMFR-CYBMUJFWSA-N 0 0 317.458 3.145 20 10 DGCDRN C[C@H]([NH2+]CC(=O)Nc1cccc(Cl)c1)c1ccccc1O ZINC001620505297 1193773423 /nfs/dbraw/zinc/77/34/23/1193773423.db2.gz VUJIUMBDFGAAIH-NSHDSACASA-N 0 0 304.777 3.335 20 10 DGCDRN Cc1csc(CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])n1 ZINC001620716587 1193794558 /nfs/dbraw/zinc/79/45/58/1193794558.db2.gz MEUIAPSPKHNPKH-UHFFFAOYSA-N 0 0 300.786 3.282 20 10 DGCDRN CN(C)c1cc(F)c(CNc2ccc3oc(=O)[nH]c3c2)cc1F ZINC001620734866 1193796101 /nfs/dbraw/zinc/79/61/01/1193796101.db2.gz SLMGUWQJAFAMLN-UHFFFAOYSA-N 0 0 319.311 3.490 20 10 DGCDRN COC(=O)c1ccc2c(c1)CN(Cc1ccc(N(C)C)cc1C)C2 ZINC001621186099 1193814957 /nfs/dbraw/zinc/81/49/57/1193814957.db2.gz AXZKJFFKXVWWBP-UHFFFAOYSA-N 0 0 324.424 3.363 20 10 DGCDRN [O-]c1c(C[NH2+]CCCOc2cccc(F)c2)ccc(F)c1F ZINC001621556498 1193857591 /nfs/dbraw/zinc/85/75/91/1193857591.db2.gz INXXMYYGGVSSNT-UHFFFAOYSA-N 0 0 311.303 3.368 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(F)cc1N ZINC001622319642 1193894598 /nfs/dbraw/zinc/89/45/98/1193894598.db2.gz UBUWXUDMQZQIHM-UHFFFAOYSA-N 0 0 302.349 3.166 20 10 DGCDRN CC1(C)CO[C@H](CC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC001622664065 1193908910 /nfs/dbraw/zinc/90/89/10/1193908910.db2.gz FIUDUKVQOTVTCD-CQSZACIVSA-N 0 0 317.429 3.092 20 10 DGCDRN Cc1ccc2cccc(NC(=O)Cc3ccc(O)c(O)c3)c2n1 ZINC001626824404 1194097874 /nfs/dbraw/zinc/09/78/74/1194097874.db2.gz VLZAXXZGULGQON-UHFFFAOYSA-N 0 0 308.337 3.136 20 10 DGCDRN Cc1ccc(C)c(CC(=O)NCc2ccc3cccnc3c2O)c1 ZINC001627069487 1194109908 /nfs/dbraw/zinc/10/99/08/1194109908.db2.gz OFFGDCIFIRMPOQ-UHFFFAOYSA-N 0 0 320.392 3.416 20 10 DGCDRN CC(C)[C@@H]1C[C@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001627693260 1194140386 /nfs/dbraw/zinc/14/03/86/1194140386.db2.gz DXKLYWLSCYTOAA-QWRGUYRKSA-N 0 0 305.399 3.334 20 10 DGCDRN C[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(C)(C)c1ccccc1 ZINC001627842840 1194146075 /nfs/dbraw/zinc/14/60/75/1194146075.db2.gz JQKUQHCNLXTWBO-ZDUSSCGKSA-N 0 0 313.397 3.123 20 10 DGCDRN CC(C)(CNC(=O)Cc1ccc(O)c(O)c1)Cc1ccccc1 ZINC001627954337 1194151064 /nfs/dbraw/zinc/15/10/64/1194151064.db2.gz XVGFNLPDYWCKPD-UHFFFAOYSA-N 0 0 313.397 3.025 20 10 DGCDRN CSc1cc(NC(=O)Cc2ccc(O)c(O)c2)ccc1C ZINC001628283357 1194170564 /nfs/dbraw/zinc/17/05/64/1194170564.db2.gz UZJCJJMOFZKIHM-UHFFFAOYSA-N 0 0 303.383 3.309 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H]2c2ccncc2)cc1 ZINC001629277110 1194224189 /nfs/dbraw/zinc/22/41/89/1194224189.db2.gz CXGQPVWOCBHMFW-OAHLLOKOSA-N 0 0 323.356 3.221 20 10 DGCDRN CC[C@@H](C)[C@H](O)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001629989653 1194263433 /nfs/dbraw/zinc/26/34/33/1194263433.db2.gz CLEHKYDGJZENAF-FZKQIMNGSA-N 0 0 314.429 3.231 20 10 DGCDRN C[C@H](SCc1ccccc1)C(=O)NCc1ccc(O)cc1O ZINC001630301533 1194279623 /nfs/dbraw/zinc/27/96/23/1194279623.db2.gz FACUPWSQPYWUIA-LBPRGKRZSA-N 0 0 317.410 3.036 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)Nc1cnoc1 ZINC001632213416 1194377224 /nfs/dbraw/zinc/37/72/24/1194377224.db2.gz VZDGSERHPFGDKF-UHFFFAOYSA-N 0 0 309.325 3.147 20 10 DGCDRN Cc1cncc(/C=C/C(=O)NCc2cc(Cl)ccc2O)c1 ZINC001632229056 1194378021 /nfs/dbraw/zinc/37/80/21/1194378021.db2.gz YCPYWLZWGSOLFN-GORDUTHDSA-N 0 0 302.761 3.079 20 10 DGCDRN COc1ccc2cc(C(=O)N[C@H](C)c3ccccc3O)cnc2c1 ZINC001632250308 1194379196 /nfs/dbraw/zinc/37/91/96/1194379196.db2.gz QEJMMGRWXVLXNN-GFCCVEGCSA-N 0 0 322.364 3.440 20 10 DGCDRN COc1c(F)ccc(F)c1C(=O)N[C@@H](C)c1ccccc1O ZINC001632250561 1194379401 /nfs/dbraw/zinc/37/94/01/1194379401.db2.gz WKNNKHWFKYCBDT-VIFPVBQESA-N 0 0 307.296 3.170 20 10 DGCDRN CCC(=O)Nc1cccc(C(=O)N[C@H](C)c2ccccc2O)c1 ZINC001632247279 1194379418 /nfs/dbraw/zinc/37/94/18/1194379418.db2.gz XMMXWJZJINCLQR-GFCCVEGCSA-N 0 0 312.369 3.232 20 10 DGCDRN O=C(c1cc(F)cc2ccncc21)N1Cc2cccc(O)c2C1 ZINC001632709161 1194402826 /nfs/dbraw/zinc/40/28/26/1194402826.db2.gz NAFRFEKWDWXWAW-UHFFFAOYSA-N 0 0 308.312 3.236 20 10 DGCDRN Cc1ccc(N(C)C(=O)Cc2ccc(O)c(O)c2)cc1Cl ZINC001633250701 1194428532 /nfs/dbraw/zinc/42/85/32/1194428532.db2.gz VQQARZBAUAJFFG-UHFFFAOYSA-N 0 0 305.761 3.265 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CSc2ccc(F)c(F)c2)c1 ZINC001633283329 1194429906 /nfs/dbraw/zinc/42/99/06/1194429906.db2.gz ZRIIELHEEYSVPJ-UHFFFAOYSA-N 0 0 323.364 3.387 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cc(C(F)(F)F)ccc2N)c1 ZINC001633282113 1194430136 /nfs/dbraw/zinc/43/01/36/1194430136.db2.gz DEXLHTXPJCVAPN-UHFFFAOYSA-N 0 0 324.302 3.232 20 10 DGCDRN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCc2cc(O)ccc2O)o1 ZINC001633595292 1194445066 /nfs/dbraw/zinc/44/50/66/1194445066.db2.gz QLGUVAINTJEGEH-ABAIWWIYSA-N 0 0 315.369 3.063 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)[C@H](C)C(C)(C)C ZINC001633817797 1194457171 /nfs/dbraw/zinc/45/71/71/1194457171.db2.gz BAIZIOLPABGBRV-AGIUHOORSA-N 0 0 307.434 3.463 20 10 DGCDRN CN(C(=O)/C=C/c1ccc(O)c(O)c1)c1cccc2c1CCCN2 ZINC001634531017 1194499773 /nfs/dbraw/zinc/49/97/73/1194499773.db2.gz DOVQILGEMPMGNK-CSKARUKUSA-N 0 0 324.380 3.132 20 10 DGCDRN CC(C)[C@H]1CCC[C@H](NC(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001634581796 1194503373 /nfs/dbraw/zinc/50/33/73/1194503373.db2.gz FKVPHUSFJSOLHP-GJZGRUSLSA-N 0 0 305.418 3.361 20 10 DGCDRN O=C(Cc1ccc(-n2cccc2)cc1)NCc1c(O)cccc1F ZINC001635360387 1194546682 /nfs/dbraw/zinc/54/66/82/1194546682.db2.gz LFDGIRRQAPTWJF-UHFFFAOYSA-N 0 0 324.355 3.181 20 10 DGCDRN C[C@H](NC(=O)C(=O)c1ccc(Cl)cc1)c1ccccc1O ZINC001635798847 1194572679 /nfs/dbraw/zinc/57/26/79/1194572679.db2.gz DURGJIMFIVNKLY-JTQLQIEISA-N 0 0 303.745 3.106 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)c2ccccc2O)cc([N+](=O)[O-])c1 ZINC001635794163 1194572691 /nfs/dbraw/zinc/57/26/91/1194572691.db2.gz YMFRXLXNVUJSBV-LLVKDONJSA-N 0 0 300.314 3.100 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1ccc(-c2ccccc2)o1 ZINC001635846959 1194575545 /nfs/dbraw/zinc/57/55/45/1194575545.db2.gz DTBCPMPAFFXZGE-UHFFFAOYSA-N 0 0 309.321 3.288 20 10 DGCDRN C[C@@H](CC(=O)NCc1c(O)ccc2ccccc21)c1cnn(C)c1 ZINC001635969773 1194583092 /nfs/dbraw/zinc/58/30/92/1194583092.db2.gz XDZRVOJSHJBCNK-ZDUSSCGKSA-N 0 0 323.396 3.089 20 10 DGCDRN Cc1cc(C(=O)N2Cc3cccc(O)c3C2)ccc1-n1cccn1 ZINC001636231105 1194601498 /nfs/dbraw/zinc/60/14/98/1194601498.db2.gz QTSHKFVXAXCZBX-UHFFFAOYSA-N 0 0 319.364 3.042 20 10 DGCDRN Cc1ccc(C(=O)NCc2cc(O)ccc2O)cc1-n1cccc1 ZINC001637122553 1194650956 /nfs/dbraw/zinc/65/09/56/1194650956.db2.gz ILIIRFVCMXQHPC-UHFFFAOYSA-N 0 0 322.364 3.127 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2ccncc2c1 ZINC001638348641 1194713327 /nfs/dbraw/zinc/71/33/27/1194713327.db2.gz WIBJKLIINRLEKG-GFCCVEGCSA-N 0 0 322.364 3.007 20 10 DGCDRN Cc1c2cc(F)ccc2oc1C(=O)NCc1ccc(O)cc1O ZINC001638352731 1194713609 /nfs/dbraw/zinc/71/36/09/1194713609.db2.gz VTEXOMTWVKOOMN-UHFFFAOYSA-N 0 0 315.300 3.222 20 10 DGCDRN CSc1cc(C(=O)NCc2ccc3cccnc3c2O)co1 ZINC001638573259 1194724651 /nfs/dbraw/zinc/72/46/51/1194724651.db2.gz PEYYFAFSLQTMEM-UHFFFAOYSA-N 0 0 314.366 3.185 20 10 DGCDRN CC[C@H](NC(=O)c1cccc(O)c1O)c1cc(F)ccc1OC ZINC001638715519 1194733858 /nfs/dbraw/zinc/73/38/58/1194733858.db2.gz BODKHTYWWUIRSK-ZDUSSCGKSA-N 0 0 319.332 3.127 20 10 DGCDRN CC(C)c1cccc(OCC(=O)NCc2c(O)cccc2F)c1 ZINC001638863381 1194741563 /nfs/dbraw/zinc/74/15/63/1194741563.db2.gz MXPXCUCTWMSIKO-UHFFFAOYSA-N 0 0 317.360 3.350 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(-c2ccon2)cc1 ZINC001639068970 1194749567 /nfs/dbraw/zinc/74/95/67/1194749567.db2.gz HJJQQWSJPJFMHV-WAPJZHGLSA-N 0 0 322.320 3.405 20 10 DGCDRN Cc1ccc2ccnc(NC(=O)Cc3ccc(O)c(O)c3)c2c1 ZINC001639449979 1194767166 /nfs/dbraw/zinc/76/71/66/1194767166.db2.gz TXORILVFFMMKAC-UHFFFAOYSA-N 0 0 308.337 3.136 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)c1cc2c(s1)CCC2 ZINC001639621352 1194774158 /nfs/dbraw/zinc/77/41/58/1194774158.db2.gz ALWFKCLGXCTMDW-UHFFFAOYSA-N 0 0 324.405 3.421 20 10 DGCDRN Cc1cc(Br)cc(N(C)Cc2ccccc2O)n1 ZINC001639661912 1194775675 /nfs/dbraw/zinc/77/56/75/1194775675.db2.gz WHRLHWLYPXGPIC-UHFFFAOYSA-N 0 0 307.191 3.495 20 10 DGCDRN COc1ccc(CNc2cc(Br)cc(C)n2)c(O)c1 ZINC001639834111 1194783854 /nfs/dbraw/zinc/78/38/54/1194783854.db2.gz MDVDGHUFFRXQSX-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN COC(=O)c1cnc(Sc2cc(C)nc(C3CCC3)n2)s1 ZINC001639960280 1194789137 /nfs/dbraw/zinc/78/91/37/1194789137.db2.gz PESVDEASYYGVKY-UHFFFAOYSA-N 0 0 321.427 3.447 20 10 DGCDRN CCc1c[nH]c2ncnc(NCc3ccc4cccnc4c3O)c12 ZINC001640052151 1194794104 /nfs/dbraw/zinc/79/41/04/1194794104.db2.gz UYLPUCIQXFUHHF-UHFFFAOYSA-N 0 0 319.368 3.386 20 10 DGCDRN CCc1c[nH]c2ncnc(NCc3cc(Cl)ccc3O)c12 ZINC001640130238 1194797731 /nfs/dbraw/zinc/79/77/31/1194797731.db2.gz VDODMYWUJPYKIS-UHFFFAOYSA-N 0 0 302.765 3.491 20 10 DGCDRN CC(=O)c1ccc(NCc2c(O)cccc2F)c([N+](=O)[O-])c1 ZINC001640434773 1194813153 /nfs/dbraw/zinc/81/31/53/1194813153.db2.gz KVWLRHPFYIZRJP-UHFFFAOYSA-N 0 0 304.277 3.254 20 10 DGCDRN Cc1nc(-c2cccnc2)nc(NCc2c(O)cccc2O)c1C ZINC001640452641 1194814168 /nfs/dbraw/zinc/81/41/68/1194814168.db2.gz FHBIHZPDQUDCRT-UHFFFAOYSA-N 0 0 322.368 3.179 20 10 DGCDRN Oc1c(Cl)cccc1CNc1ccc(C(F)(F)F)nn1 ZINC001640520498 1194817908 /nfs/dbraw/zinc/81/79/08/1194817908.db2.gz BVNAAFJZHMYMPY-UHFFFAOYSA-N 0 0 303.671 3.467 20 10 DGCDRN COc1nc(C(=O)NCc2cc(C)ccc2O)cc2ccccc21 ZINC001640797032 1194828191 /nfs/dbraw/zinc/82/81/91/1194828191.db2.gz WSQLWOJLTCXQDM-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)C1Cc2ccccc2C1 ZINC001640920363 1194832910 /nfs/dbraw/zinc/83/29/10/1194832910.db2.gz PEKFWABSPWCPSC-UHFFFAOYSA-N 0 0 301.773 3.077 20 10 DGCDRN Cc1cc(C(=O)NCc2ccnc(C)c2)c(C)n1-c1ccccn1 ZINC001641104327 1194839471 /nfs/dbraw/zinc/83/94/71/1194839471.db2.gz AHNGHGDKPDGOJK-UHFFFAOYSA-N 0 0 320.396 3.123 20 10 DGCDRN Cc1cc(C)cc(CN(C)C(=O)c2c(F)ccc(O)c2O)c1 ZINC001641530381 1194859257 /nfs/dbraw/zinc/85/92/57/1194859257.db2.gz ZOXDRIAFSCUSAJ-UHFFFAOYSA-N 0 0 303.333 3.126 20 10 DGCDRN Cc1ccc2c(c1)[C@H](NC(=O)Cc1ccc(O)c(O)c1)CCC2 ZINC001641762368 1194870626 /nfs/dbraw/zinc/87/06/26/1194870626.db2.gz LDUIIULHDXHAAG-MRXNPFEDSA-N 0 0 311.381 3.143 20 10 DGCDRN COC(=O)CN(CCCC1CC1)Cc1cc(Cl)ccc1O ZINC001642071897 1194886419 /nfs/dbraw/zinc/88/64/19/1194886419.db2.gz KUOHKYUOSCTSDO-UHFFFAOYSA-N 0 0 311.809 3.211 20 10 DGCDRN Cc1ccc(C(=O)N2CCc3cccc(Cl)c3C2)c(O)c1O ZINC001642386654 1194906540 /nfs/dbraw/zinc/90/65/40/1194906540.db2.gz CADSGIHTYJLNPU-UHFFFAOYSA-N 0 0 317.772 3.258 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1nc2cccc(F)c2o1 ZINC001642559209 1194919685 /nfs/dbraw/zinc/91/96/85/1194919685.db2.gz FKHYCHPYLCOZRL-VIFPVBQESA-N 0 0 302.305 3.421 20 10 DGCDRN C[C@@H](NC(=O)CCC(=O)c1cccc(F)c1)c1ccccc1O ZINC001642827653 1194943338 /nfs/dbraw/zinc/94/33/38/1194943338.db2.gz NSSXFLQAFXSMFU-GFCCVEGCSA-N 0 0 315.344 3.372 20 10 DGCDRN C[C@@H](NC(=O)[C@@H](O)C1CCCCCCC1)c1ccccc1O ZINC001642827899 1194944889 /nfs/dbraw/zinc/94/48/89/1194944889.db2.gz VGAZMQFAMXWOIP-DYVFJYSZSA-N 0 0 305.418 3.291 20 10 DGCDRN O=C(Nc1ccc2c(c1)C(=O)CCCC2)c1cccc(O)c1O ZINC001643005019 1194960825 /nfs/dbraw/zinc/96/08/25/1194960825.db2.gz GXDONMMSNHZNIS-UHFFFAOYSA-N 0 0 311.337 3.259 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1cc2ccc(Cl)cc2[nH]1 ZINC001643100767 1194988546 /nfs/dbraw/zinc/98/85/46/1194988546.db2.gz JUUILEHLDBNHSC-UHFFFAOYSA-N 0 0 316.744 3.163 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1ccc(Cl)cc1Cl ZINC001643100754 1194991107 /nfs/dbraw/zinc/99/11/07/1194991107.db2.gz JHZKIWHCAWFTLY-UHFFFAOYSA-N 0 0 312.152 3.335 20 10 DGCDRN CSc1nc(NCc2c(O)cccc2O)cc(C(F)F)n1 ZINC001643225909 1195006882 /nfs/dbraw/zinc/00/68/82/1195006882.db2.gz GKQQPVJAUQIHDN-UHFFFAOYSA-N 0 0 313.329 3.159 20 10 DGCDRN CC[C@@](C)(NC(=O)c1cccc(O)c1O)c1ccc(F)cc1 ZINC001643369066 1195018836 /nfs/dbraw/zinc/01/88/36/1195018836.db2.gz ALFIXVHYUKWODO-QGZVFWFLSA-N 0 0 303.333 3.292 20 10 DGCDRN C[C@H](CSc1ccccc1)C(=O)NCc1cc(O)ccc1O ZINC001643881819 1195059994 /nfs/dbraw/zinc/05/99/94/1195059994.db2.gz GRUPHZPMFJJQOY-GFCCVEGCSA-N 0 0 317.410 3.142 20 10 DGCDRN COC(=O)c1cnc(S[C@H](C)C(=O)Nc2ccccc2)s1 ZINC001643951468 1195067481 /nfs/dbraw/zinc/06/74/81/1195067481.db2.gz AKXMQSCNPJGADI-SECBINFHSA-N 0 0 322.411 3.049 20 10 DGCDRN COC(=O)c1cc(OCc2ccc(OC)cc2)ccc1N(C)C ZINC001644178983 1195086998 /nfs/dbraw/zinc/08/69/98/1195086998.db2.gz JVSTVFFVBHIFSO-UHFFFAOYSA-N 0 0 315.369 3.127 20 10 DGCDRN Cc1cc(C(=O)COc2cncnc2)c(C)n1-c1ccc(C)cc1 ZINC001644286924 1195095870 /nfs/dbraw/zinc/09/58/70/1195095870.db2.gz YTHCGNBFZQJJQS-UHFFFAOYSA-N 0 0 321.380 3.454 20 10 DGCDRN COc1cccc(C(=O)NCc2cc(Cl)ccc2O)c1C ZINC001644591025 1195119043 /nfs/dbraw/zinc/11/90/43/1195119043.db2.gz ZNXNNGUYXXYQIU-UHFFFAOYSA-N 0 0 305.761 3.293 20 10 DGCDRN CO[C@H](C(=O)NCc1cc(Cl)ccc1O)c1ccccc1 ZINC001644590468 1195119062 /nfs/dbraw/zinc/11/90/62/1195119062.db2.gz BHXMBGNFIOPANN-HNNXBMFYSA-N 0 0 305.761 3.050 20 10 DGCDRN C[C@H](Sc1ccc(F)cc1)C(=O)NCc1cccc(O)c1O ZINC001644711143 1195129079 /nfs/dbraw/zinc/12/90/79/1195129079.db2.gz UIQMJFJXFNOERS-JTQLQIEISA-N 0 0 321.373 3.034 20 10 DGCDRN CC[C@H](Cc1ccccc1C)C(=O)NCc1c(O)cccc1O ZINC001645362894 1195178476 /nfs/dbraw/zinc/17/84/76/1195178476.db2.gz DXLMWEFRULGOLV-CQSZACIVSA-N 0 0 313.397 3.291 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ncc(C(F)(F)F)s2)c1 ZINC001645805177 1195201645 /nfs/dbraw/zinc/20/16/45/1195201645.db2.gz VLUJVQJFUVACRH-UHFFFAOYSA-N 0 0 316.304 3.106 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2coc(-c3ccccc3)n2)c1 ZINC001645800263 1195201657 /nfs/dbraw/zinc/20/16/57/1195201657.db2.gz ABLIUDVKIIZDNC-UHFFFAOYSA-N 0 0 308.337 3.286 20 10 DGCDRN O=C(Cc1ccc(Cl)c(F)c1)NCc1c(O)cccc1F ZINC001646033743 1195211168 /nfs/dbraw/zinc/21/11/68/1195211168.db2.gz CXQMTIQXGMNYFH-UHFFFAOYSA-N 0 0 311.715 3.183 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@H]1SCCc2ccccc21 ZINC001646035552 1195211922 /nfs/dbraw/zinc/21/19/22/1195211922.db2.gz YOXWRNXSVMBFKK-INIZCTEOSA-N 0 0 317.385 3.178 20 10 DGCDRN Cc1c2cc(F)ccc2oc1C(=O)NCc1c(O)cccc1O ZINC001647178868 1195246057 /nfs/dbraw/zinc/24/60/57/1195246057.db2.gz VPINSORTCBECAG-UHFFFAOYSA-N 0 0 315.300 3.222 20 10 DGCDRN C[C@@H](C(=O)NCc1c(O)cccc1O)c1ccc(Cl)cc1 ZINC001647289941 1195247099 /nfs/dbraw/zinc/24/70/99/1195247099.db2.gz MASMGFFIAOHZIJ-SNVBAGLBSA-N 0 0 305.761 3.171 20 10 DGCDRN C[C@H](C(=O)NCc1c(O)cccc1O)c1ccc(Cl)cc1 ZINC001647289938 1195247231 /nfs/dbraw/zinc/24/72/31/1195247231.db2.gz MASMGFFIAOHZIJ-JTQLQIEISA-N 0 0 305.761 3.171 20 10 DGCDRN Cc1[nH]nc(NC(=O)c2cccc(O)c2O)c1-c1ccc(C)cc1 ZINC001648322004 1195292248 /nfs/dbraw/zinc/29/22/48/1195292248.db2.gz ZKONKPILXBUHAR-UHFFFAOYSA-N 0 0 323.352 3.357 20 10 DGCDRN Cc1ncccc1/C=C\C(=O)NCc1cccc(Cl)c1O ZINC001648605914 1195313328 /nfs/dbraw/zinc/31/33/28/1195313328.db2.gz DTDQKMJYGZKISV-FPLPWBNLSA-N 0 0 302.761 3.079 20 10 DGCDRN C/C(=C/c1ccccc1)CN(C)C(=O)c1c(F)ccc(O)c1O ZINC001648710770 1195324757 /nfs/dbraw/zinc/32/47/57/1195324757.db2.gz QJZXOAUEKXPISG-BENRWUELSA-N 0 0 315.344 3.412 20 10 DGCDRN O=C(CSc1ccc(F)c(F)c1)N1Cc2cccc(O)c2C1 ZINC001650672131 1195370246 /nfs/dbraw/zinc/37/02/46/1195370246.db2.gz GQQAMXGIDUQUCI-UHFFFAOYSA-N 0 0 321.348 3.305 20 10 DGCDRN Cc1c2ccccc2[nH]c(=O)c1C(=O)N1Cc2cccc(O)c2C1 ZINC001650675106 1195370735 /nfs/dbraw/zinc/37/07/35/1195370735.db2.gz SLJGTIFZCUKFJJ-UHFFFAOYSA-N 0 0 320.348 3.110 20 10 DGCDRN Cc1ccc(C(=O)N(C)C)cc1NCc1cc(F)cc(F)c1O ZINC001650727938 1195375729 /nfs/dbraw/zinc/37/57/29/1195375729.db2.gz YDBJHAMOFXYTSY-UHFFFAOYSA-N 0 0 320.339 3.293 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])[C@@H](O)Cc1ccccc1 ZINC001650807849 1195384905 /nfs/dbraw/zinc/38/49/05/1195384905.db2.gz QGOVTOZTFODKFB-BZNIZROVSA-N 0 0 323.795 3.266 20 10 DGCDRN Cc1ccc(C(=O)N[C@H](C)c2cc3cnccc3o2)c(O)c1O ZINC001650822170 1195386310 /nfs/dbraw/zinc/38/63/10/1195386310.db2.gz FJXBTBRHNRHTKE-SNVBAGLBSA-N 0 0 312.325 3.038 20 10 DGCDRN O=C(c1c(F)ccc(O)c1O)N1CC[C@@H](c2cccc(F)c2)C1 ZINC001650978459 1195400730 /nfs/dbraw/zinc/40/07/30/1195400730.db2.gz COOXBYKPGNKAPQ-LLVKDONJSA-N 0 0 319.307 3.006 20 10 DGCDRN C[C@H]1CCc2sc(C(=O)NCc3cc(O)ccc3O)cc2C1 ZINC001651223027 1195427566 /nfs/dbraw/zinc/42/75/66/1195427566.db2.gz WQOGYZBBCGFFHH-JTQLQIEISA-N 0 0 317.410 3.214 20 10 DGCDRN O=C(/C=C\c1ccc(Cl)cc1)NCc1cc(O)ccc1O ZINC001651225452 1195428852 /nfs/dbraw/zinc/42/88/52/1195428852.db2.gz JZBVBPJCXULWRV-BAQGIRSFSA-N 0 0 303.745 3.081 20 10 DGCDRN CC[C@@H](C(=O)NCc1cc(O)ccc1O)c1ccc(F)cc1 ZINC001651225474 1195428910 /nfs/dbraw/zinc/42/89/10/1195428910.db2.gz KZCXDSSMTCWHRU-OAHLLOKOSA-N 0 0 303.333 3.047 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1cc(-c2ccccc2)ccn1 ZINC001651225253 1195428929 /nfs/dbraw/zinc/42/89/29/1195428929.db2.gz BXJIFVPLHSWSLU-UHFFFAOYSA-N 0 0 320.348 3.090 20 10 DGCDRN Cc1[nH]nc2ncc(NCc3cc(Cl)cc(F)c3O)cc12 ZINC001651706341 1195500243 /nfs/dbraw/zinc/50/02/43/1195500243.db2.gz PUAWBQSZTDUOSO-UHFFFAOYSA-N 0 0 306.728 3.377 20 10 DGCDRN COc1ccc2c(c1)CCN2Cc1ccc(OC)c(OC)c1F ZINC001651997550 1195534759 /nfs/dbraw/zinc/53/47/59/1195534759.db2.gz QRNNQYFICVLOHP-UHFFFAOYSA-N 0 0 317.360 3.414 20 10 DGCDRN CC(C)c1ccc(O)c(CNc2ccc(-n3cnnn3)cc2)c1 ZINC001651997676 1195534917 /nfs/dbraw/zinc/53/49/17/1195534917.db2.gz UUXMICWEWZSMKL-UHFFFAOYSA-N 0 0 309.373 3.103 20 10 DGCDRN Cc1cc(NCc2cc(F)c(F)cc2O)ccc1C(=O)N(C)C ZINC001652197187 1195560821 /nfs/dbraw/zinc/56/08/21/1195560821.db2.gz QOMNAENRHFBUBJ-UHFFFAOYSA-N 0 0 320.339 3.293 20 10 DGCDRN CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1cc(F)c(F)cc1[O-])C(C)C ZINC001652500221 1195607315 /nfs/dbraw/zinc/60/73/15/1195607315.db2.gz SZGCUUHUSVIGQG-WBMJQRKESA-N 0 0 301.377 3.049 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1cccc2c1CCCCC2 ZINC001652628879 1195628381 /nfs/dbraw/zinc/62/83/81/1195628381.db2.gz NEKYEVXDCYCUSV-UHFFFAOYSA-N 0 0 311.381 3.297 20 10 DGCDRN O=C(NCc1c(O)cccc1O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC001652629087 1195628517 /nfs/dbraw/zinc/62/85/17/1195628517.db2.gz WDYJZYSEAOZXBM-UONOGXRCSA-N 0 0 315.344 3.047 20 10 DGCDRN CC1=C(C(=O)NCc2c(O)ccc3ccccc32)SCCO1 ZINC001652709316 1195639702 /nfs/dbraw/zinc/63/97/02/1195639702.db2.gz ZMCRARZVGWFSMV-UHFFFAOYSA-N 0 0 315.394 3.157 20 10 DGCDRN COC(=O)CN(CCCC(C)C)Cc1cc(Cl)ccc1O ZINC001652734897 1195643319 /nfs/dbraw/zinc/64/33/19/1195643319.db2.gz JFCNMRPORZBGOL-UHFFFAOYSA-N 0 0 313.825 3.457 20 10 DGCDRN Cc1ccccc1-n1cc(CN2Cc3cccc(O)c3C2)cn1 ZINC001653000060 1195679330 /nfs/dbraw/zinc/67/93/30/1195679330.db2.gz IBPRBNGVCNCOEZ-UHFFFAOYSA-N 0 0 305.381 3.402 20 10 DGCDRN CCOC(=O)[C@H](CCCC(C)C)NCc1cc(F)ccc1O ZINC001653090768 1195687633 /nfs/dbraw/zinc/68/76/33/1195687633.db2.gz BZVRXJBPQHXCAT-HNNXBMFYSA-N 0 0 311.397 3.379 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H](CCO)C1CCCC1 ZINC001653162332 1195693756 /nfs/dbraw/zinc/69/37/56/1195693756.db2.gz SEJDRIWDGVEIFM-AWEZNQCLSA-N 0 0 301.789 3.216 20 10 DGCDRN C[C@H](C[NH2+]Cc1cc(F)c(F)cc1[O-])c1ccccc1[N+](=O)[O-] ZINC001653171905 1195695233 /nfs/dbraw/zinc/69/52/33/1195695233.db2.gz QZJCMNIIRPLTJT-SNVBAGLBSA-N 0 0 322.311 3.472 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC001653175377 1195695527 /nfs/dbraw/zinc/69/55/27/1195695527.db2.gz YRHLBMQTEKFGAB-HZMBPMFUSA-N 0 0 301.789 3.216 20 10 DGCDRN COc1ccc(N(C)C[C@@H]2COC3(CCCCC3)O2)cc1OC ZINC001653261365 1195704988 /nfs/dbraw/zinc/70/49/88/1195704988.db2.gz VTDRSQQEKXIGAK-OAHLLOKOSA-N 0 0 321.417 3.216 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNc1ccc2c(c1)C(=O)NCC2 ZINC001655923420 1195978644 /nfs/dbraw/zinc/97/86/44/1195978644.db2.gz PSMJWLUGGLFIBU-UHFFFAOYSA-N 0 0 319.408 3.385 20 10 DGCDRN CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C(C)C ZINC001656291407 1196027203 /nfs/dbraw/zinc/02/72/03/1196027203.db2.gz DLXDRLDMQZDIRH-HIFRSBDPSA-N 0 0 301.377 3.049 20 10 DGCDRN CN(C)c1ccc(CNc2c[nH]nc2C(F)(F)F)cc1F ZINC001656989689 1196090901 /nfs/dbraw/zinc/09/09/01/1196090901.db2.gz PZUGEHBQSYAJEG-UHFFFAOYSA-N 0 0 302.275 3.246 20 10 DGCDRN Cc1occc1C[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC001657018725 1196093870 /nfs/dbraw/zinc/09/38/70/1196093870.db2.gz VKIFMASXLVLQSY-UHFFFAOYSA-N 0 0 314.154 3.485 20 10 DGCDRN Oc1cc(F)c(F)cc1CN1CCN(c2cccs2)CC1 ZINC001657323383 1196130759 /nfs/dbraw/zinc/13/07/59/1196130759.db2.gz FJZHOCGXCSXSFY-UHFFFAOYSA-N 0 0 310.369 3.054 20 10 DGCDRN CCCCO[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1(C)C ZINC001657377412 1196135512 /nfs/dbraw/zinc/13/55/12/1196135512.db2.gz ZYOKNAJDMBBKEV-CVEARBPZSA-N 0 0 322.405 3.374 20 10 DGCDRN Cc1cc(NC/C=C/c2ccc(N(C)C)cc2)cc(C(N)=O)c1 ZINC001657404636 1196138045 /nfs/dbraw/zinc/13/80/45/1196138045.db2.gz UKCFJOWQNFOXGO-SNAWJCMRSA-N 0 0 309.413 3.285 20 10 DGCDRN CN1CC[N@H+](Cc2cc(F)cc(F)c2[O-])Cc2ccccc21 ZINC001657460580 1196144618 /nfs/dbraw/zinc/14/46/18/1196144618.db2.gz ORDYFRIYIXRLQB-UHFFFAOYSA-N 0 0 304.340 3.122 20 10 DGCDRN [O-]c1c(F)cccc1C[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC001657697397 1196170024 /nfs/dbraw/zinc/17/00/24/1196170024.db2.gz YZEMKGOHCXQWLP-UHFFFAOYSA-N 0 0 307.752 3.409 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1CCN2CCOc3cccc1c32 ZINC001657728378 1196172666 /nfs/dbraw/zinc/17/26/66/1196172666.db2.gz WBZVPPQHVGIMKA-UHFFFAOYSA-N 0 0 323.440 3.280 20 10 DGCDRN Cc1nc2ccc(NC(=O)N3Cc4cccc(O)c4C3)cc2o1 ZINC001657762608 1196176021 /nfs/dbraw/zinc/17/60/21/1196176021.db2.gz SNCWHSUFLXKCSD-UHFFFAOYSA-N 0 0 309.325 3.390 20 10 DGCDRN CN(Cc1cccs1)c1ccc(CNc2cnnn2C)cc1 ZINC001658162128 1196219891 /nfs/dbraw/zinc/21/98/91/1196219891.db2.gz BFGWBDWNPMBKRH-UHFFFAOYSA-N 0 0 313.430 3.125 20 10 DGCDRN Brc1cccnc1CNCc1ccc2c(c1)CCO2 ZINC001658163671 1196220483 /nfs/dbraw/zinc/22/04/83/1196220483.db2.gz RTSDXHFFFJRBCA-UHFFFAOYSA-N 0 0 319.202 3.069 20 10 DGCDRN CCc1cccc(CN2C[C@H](C(F)(F)F)OC(C)(C)C2)c1O ZINC001658174983 1196221325 /nfs/dbraw/zinc/22/13/25/1196221325.db2.gz XEXISMQAMHGEDG-CYBMUJFWSA-N 0 0 317.351 3.496 20 10 DGCDRN COC(=O)COc1ccc(N(C)C[C@@H]2CC[C@H]3C[C@H]3C2)cc1 ZINC001658211505 1196226691 /nfs/dbraw/zinc/22/66/91/1196226691.db2.gz QCOWLRKIACNXSP-QLFBSQMISA-N 0 0 303.402 3.111 20 10 DGCDRN CCn1cc(CN2C[C@H](C(C)C)Cc3cc(OC)ccc32)nn1 ZINC001658391126 1196250679 /nfs/dbraw/zinc/25/06/79/1196250679.db2.gz CEABNQPWRWJJIB-OAHLLOKOSA-N 0 0 314.433 3.142 20 10 DGCDRN Cc1ccc(CN(C)CC(=O)Nc2cc(F)cc(F)c2)c(O)c1 ZINC001658475618 1196261510 /nfs/dbraw/zinc/26/15/10/1196261510.db2.gz XIDXUDDYEDKCBE-UHFFFAOYSA-N 0 0 320.339 3.049 20 10 DGCDRN COc1ccc(N(CCCN2CCOCC2)CCC(C)C)cc1 ZINC001658531489 1196269726 /nfs/dbraw/zinc/26/97/26/1196269726.db2.gz WMKFCXNRCMUZDL-UHFFFAOYSA-N 0 0 320.477 3.270 20 10 DGCDRN CO[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(C(C)=O)c2[O-])C1(C)C ZINC001658693055 1196288991 /nfs/dbraw/zinc/28/89/91/1196288991.db2.gz JDDFDYLAPGHBIE-KGLIPLIRSA-N 0 0 311.809 3.151 20 10 DGCDRN CC[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)C(F)(F)F ZINC001658800212 1196302572 /nfs/dbraw/zinc/30/25/72/1196302572.db2.gz CGFJAAOILFIBEP-OAHLLOKOSA-N 0 0 316.367 3.078 20 10 DGCDRN Cc1ccc2c(c1)nc(C[NH2+]Cc1cc(F)cc(F)c1[O-])n2C ZINC001658941808 1196322261 /nfs/dbraw/zinc/32/22/61/1196322261.db2.gz IHZPTGIGNRJMDO-UHFFFAOYSA-N 0 0 317.339 3.155 20 10 DGCDRN COC(=O)c1ccc(C[N@H+](C)Cc2cc(F)cc(F)c2[O-])cc1 ZINC001658956124 1196324970 /nfs/dbraw/zinc/32/49/70/1196324970.db2.gz RBRJJDOTXVMPKC-UHFFFAOYSA-N 0 0 321.323 3.089 20 10 DGCDRN COc1cc(C)c(CNc2cccc3c2OCC[C@H]3O)c(O)c1 ZINC001659358108 1196374191 /nfs/dbraw/zinc/37/41/91/1196374191.db2.gz LVWYERNXMIYREN-MRXNPFEDSA-N 0 0 315.369 3.137 20 10 DGCDRN CCCn1cc(CN2CCCCc3cc(OC)ccc32)nn1 ZINC001659354849 1196374717 /nfs/dbraw/zinc/37/47/17/1196374717.db2.gz DINOLWNLQTUWHQ-UHFFFAOYSA-N 0 0 300.406 3.040 20 10 DGCDRN CN(C)c1cc(F)c(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1F ZINC001659373607 1196376856 /nfs/dbraw/zinc/37/68/56/1196376856.db2.gz SDWXUTVJCYOZGR-IRXDYDNUSA-N 0 0 324.415 3.420 20 10 DGCDRN CC(C)[C@H]1[N@H+](Cc2cc(F)c(F)cc2[O-])CC12CCOCC2 ZINC001659461409 1196386000 /nfs/dbraw/zinc/38/60/00/1196386000.db2.gz RPPMFQONIFOGKC-MRXNPFEDSA-N 0 0 311.372 3.307 20 10 DGCDRN CN(CC[NH+]1CCCCC1)Cc1c([O-])ccc(Cl)c1F ZINC001659559856 1196394969 /nfs/dbraw/zinc/39/49/69/1196394969.db2.gz AAUUHIDTXYNFMI-UHFFFAOYSA-N 0 0 300.805 3.102 20 10 DGCDRN C[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccc(Cl)cc1O ZINC001659756721 1196411573 /nfs/dbraw/zinc/41/15/73/1196411573.db2.gz ZIIIYNULHKZYFI-PRHODGIISA-N 0 0 309.715 3.197 20 10 DGCDRN CN(C)C(=O)Nc1cccc(NCc2cc(F)ccc2O)c1 ZINC001659811998 1196416355 /nfs/dbraw/zinc/41/63/55/1196416355.db2.gz BXPXQCTWHNOVRI-UHFFFAOYSA-N 0 0 303.337 3.237 20 10 DGCDRN C[C@H]1CCCN(Cc2cccc(F)c2O)[C@H]1C(=O)OC(C)(C)C ZINC001660080419 1196443337 /nfs/dbraw/zinc/44/33/37/1196443337.db2.gz GCQCTUKCFXFJKT-SWLSCSKDSA-N 0 0 323.408 3.474 20 10 DGCDRN [O-]c1c(C[NH2+]Cc2cnccc2C(F)(F)F)ccc(F)c1F ZINC001660320829 1196470447 /nfs/dbraw/zinc/47/04/47/1196470447.db2.gz BFGNYCFNAPYSQO-UHFFFAOYSA-N 0 0 318.245 3.374 20 10 DGCDRN CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC001660508944 1196492656 /nfs/dbraw/zinc/49/26/56/1196492656.db2.gz FBYGBTXASREUOP-TXEJJXNPSA-N 0 0 311.809 3.256 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[NH2+]C2([C@H]3CCCO3)CCC2)c1[O-] ZINC001660641182 1196507662 /nfs/dbraw/zinc/50/76/62/1196507662.db2.gz GKXZJPFSBFXBKQ-OAHLLOKOSA-N 0 0 323.820 3.440 20 10 DGCDRN C[C@@H]1CCc2nc(CNCc3ccc4c(c3)CCO4)sc2C1 ZINC001661224312 1196585394 /nfs/dbraw/zinc/58/53/94/1196585394.db2.gz MEPMTKDZODQWSO-GFCCVEGCSA-N 0 0 314.454 3.493 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H](CO)c1cccc(F)c1 ZINC001661421276 1196604437 /nfs/dbraw/zinc/60/44/37/1196604437.db2.gz YKGJPLKPEJTBRQ-CQSZACIVSA-N 0 0 313.731 3.147 20 10 DGCDRN COc1ccc(NCc2cc(F)c(N(C)C)cc2F)c(OC)n1 ZINC001661995461 1196672942 /nfs/dbraw/zinc/67/29/42/1196672942.db2.gz UXLMPJMBKRSNGI-UHFFFAOYSA-N 0 0 323.343 3.055 20 10 DGCDRN Cc1cccc2c1OC[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C2 ZINC001662571493 1196731225 /nfs/dbraw/zinc/73/12/25/1196731225.db2.gz IAPLQAWZDMWLAD-AWEZNQCLSA-N 0 0 305.324 3.072 20 10 DGCDRN COC(=O)CN(Cc1cc(C)co1)Cc1cc(Cl)ccc1O ZINC001663945632 1196959614 /nfs/dbraw/zinc/95/96/14/1196959614.db2.gz IRBRTLXBSHRYEZ-UHFFFAOYSA-N 0 0 323.776 3.122 20 10 DGCDRN C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001663949873 1196960718 /nfs/dbraw/zinc/96/07/18/1196960718.db2.gz OSKIEGIXSIYGLM-NSHDSACASA-N 0 0 307.340 3.439 20 10 DGCDRN CN(Cc1ccc(Br)nc1)c1ccc2c(c1)OCO2 ZINC001664238121 1196982477 /nfs/dbraw/zinc/98/24/77/1196982477.db2.gz CRKYLBUICKYHOF-UHFFFAOYSA-N 0 0 321.174 3.209 20 10 DGCDRN Oc1cc(F)c(F)cc1CNc1ccc(OC2COC2)cc1 ZINC001664325450 1196989993 /nfs/dbraw/zinc/98/99/93/1196989993.db2.gz VZNYUQIUHWIHRN-UHFFFAOYSA-N 0 0 307.296 3.060 20 10 DGCDRN Cc1noc([C@H]2CCCCN2Cc2cc(F)c(F)cc2O)n1 ZINC001664664791 1197029669 /nfs/dbraw/zinc/02/96/69/1197029669.db2.gz ZNANIOQDZHVUEK-CYBMUJFWSA-N 0 0 309.316 3.089 20 10 DGCDRN C[N@@H+](Cc1cc(F)c(F)cc1[O-])C[C@H]1OCCc2ccccc21 ZINC001664776363 1197056294 /nfs/dbraw/zinc/05/62/94/1197056294.db2.gz VUOREOLTJYVVNV-GOSISDBHSA-N 0 0 319.351 3.416 20 10 DGCDRN CN(C)c1cc(F)c(CN2CC(F)(F)C(F)(F)C2)cc1F ZINC001664973572 1197083050 /nfs/dbraw/zinc/08/30/50/1197083050.db2.gz KFGCKPKYLXZFHQ-UHFFFAOYSA-N 0 0 312.257 3.117 20 10 DGCDRN CCn1cnc(Cl)c1CN(C)c1ccc(OC)c(OC)c1 ZINC001665101514 1197098031 /nfs/dbraw/zinc/09/80/31/1197098031.db2.gz HHDLGQDSXZNPAM-UHFFFAOYSA-N 0 0 309.797 3.210 20 10 DGCDRN Cn1c2ccc(Cl)cc2nc1CN1Cc2cccc(O)c2C1 ZINC001665505959 1197145632 /nfs/dbraw/zinc/14/56/32/1197145632.db2.gz DAKZQLBNVDSOIR-UHFFFAOYSA-N 0 0 313.788 3.448 20 10 DGCDRN O=C(NCc1cccc(Cl)c1)N1Cc2cccc(O)c2C1 ZINC001665614760 1197159687 /nfs/dbraw/zinc/15/96/87/1197159687.db2.gz LDWZJYUPCUIUEP-UHFFFAOYSA-N 0 0 302.761 3.271 20 10 DGCDRN Cc1ccc(Cl)c(S(=O)(=O)N2Cc3cccc(O)c3C2)c1 ZINC001665671822 1197168626 /nfs/dbraw/zinc/16/86/26/1197168626.db2.gz VEMCKRCZTSPSCH-UHFFFAOYSA-N 0 0 323.801 3.059 20 10 DGCDRN Cn1ccc2c1cccc2NC(=O)N1Cc2cccc(O)c2C1 ZINC001668104553 1197400003 /nfs/dbraw/zinc/40/00/03/1197400003.db2.gz IYLCNMSMZZFBQX-UHFFFAOYSA-N 0 0 307.353 3.432 20 10 DGCDRN CCc1ncsc1NC(=O)NCc1cccc(Cl)c1O ZINC001670081096 1197519657 /nfs/dbraw/zinc/51/96/57/1197519657.db2.gz QUBXLMQFNIIIJE-UHFFFAOYSA-N 0 0 311.794 3.386 20 10 DGCDRN Cc1cc(NC(=O)NCc2c(O)cccc2F)ccc1[N+](=O)[O-] ZINC001670304601 1197530800 /nfs/dbraw/zinc/53/08/00/1197530800.db2.gz VTNJFTFOVDAVLV-UHFFFAOYSA-N 0 0 319.292 3.070 20 10 DGCDRN COc1cc(C)c(C)cc1NC(=O)NCc1ccccc1O ZINC001673473031 1197664561 /nfs/dbraw/zinc/66/45/61/1197664561.db2.gz IQQQUJNIUJDFSL-UHFFFAOYSA-N 0 0 300.358 3.339 20 10 DGCDRN O=C(NCc1c(O)cccc1F)Nc1cc(F)c(F)c(F)c1 ZINC001674849575 1197891218 /nfs/dbraw/zinc/89/12/18/1197891218.db2.gz ZCBAZKSPPKJZOO-UHFFFAOYSA-N 0 0 314.238 3.270 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1Cc2ccccc21 ZINC001675660487 1198108661 /nfs/dbraw/zinc/10/86/61/1198108661.db2.gz FRYJFJUUDLQMRL-LBPRGKRZSA-N 0 0 316.788 3.185 20 10 DGCDRN O=C(NCCc1ccc(F)cc1)NCc1cc(Cl)ccc1O ZINC001676105700 1198226775 /nfs/dbraw/zinc/22/67/75/1198226775.db2.gz JMPJGIZBMNXDOV-UHFFFAOYSA-N 0 0 322.767 3.227 20 10 DGCDRN C[C@H](NC(=O)NCc1cc(Cl)ccc1O)c1ccccn1 ZINC001676992304 1198460701 /nfs/dbraw/zinc/46/07/01/1198460701.db2.gz CRMITBSOEKUFGH-JTQLQIEISA-N 0 0 305.765 3.001 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2cccc3c(=O)[nH]ccc23)c1 ZINC001677613865 1198560749 /nfs/dbraw/zinc/56/07/49/1198560749.db2.gz BMDXMDZZBUIOBK-UHFFFAOYSA-N 0 0 323.352 3.276 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CC=CC23CCCC3)cc1F ZINC001677947061 1198609246 /nfs/dbraw/zinc/60/92/46/1198609246.db2.gz JWVIXTYKBJZDPH-UHFFFAOYSA-N 0 0 317.408 3.286 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NCC(C)(C)F)cc1F ZINC001678606891 1198709469 /nfs/dbraw/zinc/70/94/69/1198709469.db2.gz XGWDYHRPGSHNNL-UHFFFAOYSA-N 0 0 313.392 3.219 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC=C(Cl)C1 ZINC001678956366 1198743383 /nfs/dbraw/zinc/74/33/83/1198743383.db2.gz CLOKCQHWIPQXAZ-UHFFFAOYSA-N 0 0 307.825 3.099 20 10 DGCDRN CC(C)O[C@@H]1C[C@@H](NC(=O)N2Cc3cccc(O)c3C2)C1(C)C ZINC001679868368 1198831953 /nfs/dbraw/zinc/83/19/53/1198831953.db2.gz DFVUNXFJYWXEEE-HZPDHXFCSA-N 0 0 318.417 3.010 20 10 DGCDRN C=C/C=C\CCNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001682100962 1199129361 /nfs/dbraw/zinc/12/93/61/1199129361.db2.gz IAXILGSKKCJYLE-PTZVLDCSSA-N 0 0 315.461 3.424 20 10 DGCDRN O=C(NCc1ccc2ncccc2c1)N1Cc2cccc(O)c2C1 ZINC001682303137 1199147946 /nfs/dbraw/zinc/14/79/46/1199147946.db2.gz DIPBTKRRKPVLJA-UHFFFAOYSA-N 0 0 319.364 3.166 20 10 DGCDRN CC1(C)CC(NC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC001684055104 1199334399 /nfs/dbraw/zinc/33/43/99/1199334399.db2.gz QRTXFBOBBLCSSX-UHFFFAOYSA-N 0 0 302.418 3.259 20 10 DGCDRN Cc1cc(CCNC(=O)N[C@@H]2CC23CC3)c(C)n1-c1ccccc1 ZINC001684322113 1199376658 /nfs/dbraw/zinc/37/66/58/1199376658.db2.gz ILRDOZVQGAFURZ-GOSISDBHSA-N 0 0 323.440 3.488 20 10 DGCDRN C[C@H](NC(=O)NCCc1ccc(F)cc1F)c1ccccc1O ZINC001684377652 1199379929 /nfs/dbraw/zinc/37/99/29/1199379929.db2.gz WPCCLFSFJFPKPI-NSHDSACASA-N 0 0 320.339 3.273 20 10 DGCDRN CC[C@H](C)CCNC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001686998036 1199610778 /nfs/dbraw/zinc/61/07/78/1199610778.db2.gz IVCYOJVCESOOIR-HNNXBMFYSA-N 0 0 321.465 3.209 20 10 DGCDRN Cc1cc(O)ccc1NS(=O)(=O)c1cccc2cnccc21 ZINC000315292005 1199804267 /nfs/dbraw/zinc/80/42/67/1199804267.db2.gz PXDYLFQLYKKHET-UHFFFAOYSA-N 0 0 314.366 3.050 20 10 DGCDRN C[C@H](NC(=O)Cc1ccc(N)cc1)c1nc(C(C)(C)C)cs1 ZINC000237659565 1202688124 /nfs/dbraw/zinc/68/81/24/1202688124.db2.gz WLJGLUKZQMOPJK-NSHDSACASA-N 0 0 317.458 3.443 20 10 DGCDRN Cc1ccc(S(=O)(=O)Nc2cccc(N(C)C)c2)cc1C ZINC000242989059 1203581074 /nfs/dbraw/zinc/58/10/74/1203581074.db2.gz HSWJLEBOKDSZKN-UHFFFAOYSA-N 0 0 304.415 3.170 20 10 DGCDRN COc1cccc(CNC(=O)N[C@H](C)c2cc(C)oc2C)c1O ZINC000174397599 1203900119 /nfs/dbraw/zinc/90/01/19/1203900119.db2.gz LBELJAGDYZXCLA-LLVKDONJSA-N 0 0 318.373 3.171 20 10 DGCDRN C[C@H]1C[C@H]1n1c(N(C)Cc2ccccc2O)nnc1C(C)(C)C ZINC001726494325 1204297984 /nfs/dbraw/zinc/29/79/84/1204297984.db2.gz FBJMEOGFGYCDOQ-GXTWGEPZSA-N 0 0 314.433 3.499 20 10 DGCDRN CCCCCn1c(CC)nnc1N(C)Cc1ccccc1O ZINC001728015664 1204319293 /nfs/dbraw/zinc/31/92/93/1204319293.db2.gz XRKQXKJEENUALX-UHFFFAOYSA-N 0 0 302.422 3.373 20 10 DGCDRN C[C@H]1C[C@@H]([NH2+]C2CCC(C(=O)[O-])CC2)c2c1c(F)ccc2O ZINC001589291459 953603928 /nfs/dbraw/zinc/60/39/28/953603928.db2.gz IVFRCODADDSPPC-HHISKICNSA-N 0 0 307.365 3.313 20 10 DGCDRN CCc1cccc(C[NH2+][C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1O ZINC001593642727 953662745 /nfs/dbraw/zinc/66/27/45/953662745.db2.gz UXTBVUBIKVVAPQ-IAGOWNOFSA-N 0 0 311.381 3.357 20 10 DGCDRN O=C([O-])[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)c2ccccc21 ZINC001594900418 954624146 /nfs/dbraw/zinc/62/41/46/954624146.db2.gz OBDKHNXVUHCFJQ-OAGGEKHMSA-N 0 0 309.365 3.282 20 10 DGCDRN O=C([O-])[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)c2ccccc21 ZINC001594903415 954652799 /nfs/dbraw/zinc/65/27/99/954652799.db2.gz UJSDNGIRLJVTSE-ZWKOTPCHSA-N 0 0 323.392 3.414 20 10 DGCDRN O=C([O-])[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ccccc21 ZINC001594903446 954653348 /nfs/dbraw/zinc/65/33/48/954653348.db2.gz UXRCJQSUVXWFHV-IRXDYDNUSA-N 0 0 309.365 3.024 20 10 DGCDRN COc1cc(C[NH2+][C@H]2CCC[C@H]2C(=O)[O-])c(O)c(C(C)(C)C)c1 ZINC001594058583 958065661 /nfs/dbraw/zinc/06/56/61/958065661.db2.gz GJTSDWRBPZIFNV-HIFRSBDPSA-N 0 0 321.417 3.041 20 10 DGCDRN CN(C)c1ccc(C[N@H+](CCC2(C(=O)[O-])CCC2)C2CC2)cc1 ZINC001604090725 972488669 /nfs/dbraw/zinc/48/86/69/972488669.db2.gz FAXSGMQOIBRGCK-UHFFFAOYSA-N 0 0 316.445 3.362 20 10 DGCDRN COc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccc(F)cc2)cc1C ZINC001574214623 962938370 /nfs/dbraw/zinc/93/83/70/962938370.db2.gz ZXNRMZBVMYAPHH-MRXNPFEDSA-N 0 0 303.333 3.058 20 10 DGCDRN Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C1CCC(C(=O)[O-])CC1 ZINC000316409341 967979988 /nfs/dbraw/zinc/97/99/88/967979988.db2.gz YXXSJHTVZWECIR-BLYZHGLHSA-N 0 0 303.402 3.482 20 10 DGCDRN Cc1cccc([C@@H]([NH2+]Cc2ccc(Cl)cc2O)C(=O)[O-])c1 ZINC001605328765 973188134 /nfs/dbraw/zinc/18/81/34/973188134.db2.gz DCVWXLXGLQICIP-OAHLLOKOSA-N 0 0 305.761 3.270 20 10 DGCDRN CC[C@@](C)([NH2+]Cc1ccc(N2CCCCC2)c(C)c1)C(=O)[O-] ZINC001594852420 982094380 /nfs/dbraw/zinc/09/43/80/982094380.db2.gz KZLPMBPXEVHKDV-GOSISDBHSA-N 0 0 304.434 3.328 20 10 DGCDRN CCCCC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)C(=O)[O-] ZINC001595683216 982170314 /nfs/dbraw/zinc/17/03/14/982170314.db2.gz NBYJZKCZXYBUTN-GFCCVEGCSA-N 0 0 315.797 3.177 20 10 DGCDRN CCCC[N@H+](Cc1ccc(C(=O)[O-])cn1)Cc1ccccc1O ZINC001595749094 982419976 /nfs/dbraw/zinc/41/99/76/982419976.db2.gz GIFXTHPMYROQBJ-UHFFFAOYSA-N 0 0 314.385 3.288 20 10 DGCDRN CCC[N@H+](Cc1ccc(/C=C\C(=O)[O-])o1)Cc1ccccc1O ZINC001595888234 982916977 /nfs/dbraw/zinc/91/69/77/982916977.db2.gz KWUYUPJUVPPZNT-KTKRTIGZSA-N 0 0 315.369 3.495 20 10 DGCDRN CCN(C)c1ccc(C[NH2+][C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001596194814 983578007 /nfs/dbraw/zinc/57/80/07/983578007.db2.gz RYYOCXWVBGRVGE-QGZVFWFLSA-N 0 0 304.434 3.266 20 10 DGCDRN C[C@@H](C(=O)[O-])[N@H+](C/C=C\c1ccc(N(C)C)cc1)C1CCC1 ZINC001589485672 987018816 /nfs/dbraw/zinc/01/88/16/987018816.db2.gz BJZDHHDQLDTBPS-GXMNPTEKSA-N 0 0 302.418 3.093 20 10 DGCDRN CCc1cccc(C[N@@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1O ZINC001597587266 988410848 /nfs/dbraw/zinc/41/08/48/988410848.db2.gz VGYKBUHEDHLLPH-OAHLLOKOSA-N 0 0 305.418 3.277 20 10 DGCDRN CN1CCCc2cc(C[NH2+]Cc3cc(C(=O)[O-])cs3)ccc21 ZINC001598603223 993597990 /nfs/dbraw/zinc/59/79/90/993597990.db2.gz DSVPFTVYMDKAPU-UHFFFAOYSA-N 0 0 316.426 3.119 20 10 DGCDRN C[C@H]([NH2+]CCN1[C@H](C)CCC[C@@H]1C)c1cc(C(=O)[O-])ccc1O ZINC001593266448 994579818 /nfs/dbraw/zinc/57/98/18/994579818.db2.gz DPLGSKOCQOGONO-MJBXVCDLSA-N 0 0 320.433 3.004 20 10 DGCDRN C[C@H]([NH2+]CCc1cccc(F)c1)c1cc(C(=O)[O-])ccc1O ZINC001593273185 994617460 /nfs/dbraw/zinc/61/74/60/994617460.db2.gz CWHMGOYETOTKED-NSHDSACASA-N 0 0 303.333 3.123 20 10 DGCDRN COc1cc(C)c(C[NH2+]C[C@@H](C(=O)[O-])C2CCCCC2)c(O)c1 ZINC001599391230 997040044 /nfs/dbraw/zinc/04/00/44/997040044.db2.gz MKZXTNAAFLRHBZ-MRXNPFEDSA-N 0 0 321.417 3.080 20 10 DGCDRN CC1=CC[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])CC1 ZINC001594114751 998240794 /nfs/dbraw/zinc/24/07/94/998240794.db2.gz GXNSWQZRQYJANJ-UHFFFAOYSA-N 0 0 302.349 3.168 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCc1cscc1Cl ZINC001638456439 1194719707 /nfs/dbraw/zinc/71/97/07/1194719707.db2.gz AYESSOQUASNXHB-DUXPYHPUSA-N 0 0 309.774 3.142 20 10 DGCDRN Cc1cc(-c2ccccc2)nc(NCc2ccc(O)c(O)c2)n1 ZINC001169990463 1081792186 /nfs/dbraw/zinc/79/21/86/1081792186.db2.gz GPJZSVZYYRRWFS-UHFFFAOYSA-N 0 0 307.353 3.475 20 10 DGCDRN Cc1c(Cl)nc(Cl)nc1NCc1ccc(O)c(O)c1 ZINC001169993752 1081807246 /nfs/dbraw/zinc/80/72/46/1081807246.db2.gz QMEUHJOGLBZPOH-UHFFFAOYSA-N 0 0 300.145 3.115 20 10 DGCDRN Oc1ccc(CNc2cccc(OC(F)(F)F)n2)cc1O ZINC001169993782 1081808571 /nfs/dbraw/zinc/80/85/71/1081808571.db2.gz RZYDQYJIXFZUQS-UHFFFAOYSA-N 0 0 300.236 3.004 20 10 DGCDRN Cc1nc2cnc(Cl)cc2c(NCc2ccc(O)c(O)c2)n1 ZINC001169993811 1081809155 /nfs/dbraw/zinc/80/91/55/1081809155.db2.gz UEDXXOMZAMGQKI-UHFFFAOYSA-N 0 0 316.748 3.010 20 10 DGCDRN Cc1nc(C)c(NCc2ccc(O)c(O)c2)cc1Br ZINC001169994546 1081816217 /nfs/dbraw/zinc/81/62/17/1081816217.db2.gz DYPHHWLRSSCKEX-UHFFFAOYSA-N 0 0 323.190 3.484 20 10 DGCDRN COC(=O)c1ccc(NCc2ccc(O)c(O)c2)c2ncccc12 ZINC001169995204 1081817773 /nfs/dbraw/zinc/81/77/73/1081817773.db2.gz TZHUXRJQTRRERN-UHFFFAOYSA-N 0 0 324.336 3.045 20 10 DGCDRN CSc1ccc(O)c(C(=O)NCc2cc(C)ccc2O)c1 ZINC001167293570 1081913270 /nfs/dbraw/zinc/91/32/70/1081913270.db2.gz JPADQTVWWLVBTM-UHFFFAOYSA-N 0 0 303.383 3.058 20 10 DGCDRN CN1CCN(c2ccc(CNc3cccc(F)c3)cc2F)CC1 ZINC001648854225 1081944952 /nfs/dbraw/zinc/94/49/52/1081944952.db2.gz PZBCLFUMUHZGEH-UHFFFAOYSA-N 0 0 317.383 3.329 20 10 DGCDRN C[C@@H](NC(=O)c1cccn1Cc1ccncc1)c1ccccc1O ZINC001648889844 1081954292 /nfs/dbraw/zinc/95/42/92/1081954292.db2.gz OPVMOMJXBFONEY-CQSZACIVSA-N 0 0 321.380 3.128 20 10 DGCDRN Cc1cc(Cl)cc(N(C)S(=O)(=O)Cc2ccc(N)cc2)c1 ZINC001210462636 1081965883 /nfs/dbraw/zinc/96/58/83/1081965883.db2.gz WRCVPOXWOGLNBD-UHFFFAOYSA-N 0 0 324.833 3.197 20 10 DGCDRN CS(=O)(=O)N(c1ccc(N)cc1)c1cccc(F)c1Cl ZINC001210540686 1081980074 /nfs/dbraw/zinc/98/00/74/1081980074.db2.gz CRRYLKZORPYCTP-UHFFFAOYSA-N 0 0 314.769 3.159 20 10 DGCDRN COc1cccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001167431272 1082103357 /nfs/dbraw/zinc/10/33/57/1082103357.db2.gz PKZMQXSOVJSJOI-UHFFFAOYSA-N 0 0 311.429 3.059 20 10 DGCDRN COC(=O)c1cc(OCc2nc(C)sc2C)ccc1N(C)C ZINC001307388562 1082133845 /nfs/dbraw/zinc/13/38/45/1082133845.db2.gz GDGGVLUQIBTOIO-UHFFFAOYSA-N 0 0 320.414 3.192 20 10 DGCDRN CSc1cccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000588403281 1082146772 /nfs/dbraw/zinc/14/67/72/1082146772.db2.gz CJMYCRVSOIOFRH-VURMDHGXSA-N 0 0 301.367 3.472 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N(Cc1ccccc1)C1CC1 ZINC000588403318 1082146808 /nfs/dbraw/zinc/14/68/08/1082146808.db2.gz KDYPQNQLUYBDQT-XFFZJAGNSA-N 0 0 309.365 3.302 20 10 DGCDRN CN(Cc1ccccc1Cl)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403395 1082146886 /nfs/dbraw/zinc/14/68/86/1082146886.db2.gz IUVLNVQAWBMYDX-CLFYSBASSA-N 0 0 317.772 3.423 20 10 DGCDRN COc1ccc(Cl)cc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403703 1082147531 /nfs/dbraw/zinc/14/75/31/1082147531.db2.gz WNDIASBEOUCABP-CLTKARDFSA-N 0 0 319.744 3.412 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@H]1c1ccccc1 ZINC000588405325 1082150282 /nfs/dbraw/zinc/15/02/82/1082150282.db2.gz AVMPAVKQCNLPLQ-SLWQEBJJSA-N 0 0 309.365 3.475 20 10 DGCDRN Cc1ccc(CN(C)C(=O)/C=C\c2ccc(O)c(O)c2)s1 ZINC000588406764 1082153682 /nfs/dbraw/zinc/15/36/82/1082153682.db2.gz SPYOBVHHVWAQCY-YVMONPNESA-N 0 0 303.383 3.140 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCc1cc2ccccc2o1 ZINC000588407021 1082154685 /nfs/dbraw/zinc/15/46/85/1082154685.db2.gz LNWYCDXFYWYJCY-VURMDHGXSA-N 0 0 323.348 3.216 20 10 DGCDRN CCCc1csc(NC(=O)/C=C\c2ccc(O)c(O)c2)n1 ZINC000588407921 1082162727 /nfs/dbraw/zinc/16/27/27/1082162727.db2.gz ZKGJFOPDIRFAPE-ALCCZGGFSA-N 0 0 304.371 3.159 20 10 DGCDRN C/C(=C/C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC000588432679 1082250433 /nfs/dbraw/zinc/25/04/33/1082250433.db2.gz WMXRPGZIVVLCJG-QLKUMGTLSA-N 0 0 311.381 3.249 20 10 DGCDRN Oc1cc(Cl)ccc1CN1CCO[C@H](c2ccccn2)C1 ZINC001140466061 1082278912 /nfs/dbraw/zinc/27/89/12/1082278912.db2.gz VRNFRBYSHYVJPR-INIZCTEOSA-N 0 0 304.777 3.014 20 10 DGCDRN CCCOc1ccc(NCC(=O)c2ccc(O)c(O)c2)c(F)c1 ZINC001170321315 1082344725 /nfs/dbraw/zinc/34/47/25/1082344725.db2.gz ZQAMDLPSLASHGL-UHFFFAOYSA-N 0 0 319.332 3.321 20 10 DGCDRN CCOc1ccc(NCC(=O)c2ccc(O)c(O)c2)cc1C ZINC001170315162 1082345603 /nfs/dbraw/zinc/34/56/03/1082345603.db2.gz QYEDWISNLWWHND-UHFFFAOYSA-N 0 0 301.342 3.100 20 10 DGCDRN Cc1ncsc1/C=C\C(=O)N1C[C@H](C)Oc2c(F)cccc21 ZINC000588519928 1082541825 /nfs/dbraw/zinc/54/18/25/1082541825.db2.gz VEXFEFIYSDJMRN-GFVADAIESA-N 0 0 318.373 3.418 20 10 DGCDRN CO[C@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708135154 1082614708 /nfs/dbraw/zinc/61/47/08/1082614708.db2.gz WRCOXPLFRYXPLO-JTQLQIEISA-N 0 0 320.614 3.029 20 10 DGCDRN O=C1NC(=S)S/C1=C/c1c(F)cccc1Br ZINC000588615049 1082852023 /nfs/dbraw/zinc/85/20/23/1082852023.db2.gz SNFNVGMTIBDNMH-XBXARRHUSA-N 0 0 318.192 3.077 20 10 DGCDRN Cn1c(=O)[nH]c2ccc(NCc3ccc(Cl)cc3O)cc21 ZINC001181145324 1083417872 /nfs/dbraw/zinc/41/78/72/1083417872.db2.gz PHSMEGSSWYTDNO-UHFFFAOYSA-N 0 0 303.749 3.250 20 10 DGCDRN Cc1cn(CCC(=O)NCc2ccccc2O)c2ccccc12 ZINC001181211340 1083433237 /nfs/dbraw/zinc/43/32/37/1083433237.db2.gz IHTVHRSEZKWLPI-UHFFFAOYSA-N 0 0 308.381 3.362 20 10 DGCDRN CC(=O)C[C@@H](C)C(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001181259379 1083437839 /nfs/dbraw/zinc/43/78/39/1083437839.db2.gz YJGWHJFNJKIUBI-SJKOYZFVSA-N 0 0 317.429 3.364 20 10 DGCDRN O=C(CCCCCCCCCO)N1CCc2cccc(O)c2C1 ZINC001181415334 1083461169 /nfs/dbraw/zinc/46/11/69/1083461169.db2.gz YEMNFIXVMDBRQL-UHFFFAOYSA-N 0 0 319.445 3.390 20 10 DGCDRN O=C(CC1CCC(F)(F)CC1)N1CCc2cccc(O)c2C1 ZINC001181431870 1083465430 /nfs/dbraw/zinc/46/54/30/1083465430.db2.gz IYWQFPPTBDXULV-UHFFFAOYSA-N 0 0 309.356 3.493 20 10 DGCDRN [O-]c1c(F)c(F)ccc1C[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC001182063837 1083620165 /nfs/dbraw/zinc/62/01/65/1083620165.db2.gz ZYGJPEJOEWVBFQ-ZDUSSCGKSA-N 0 0 313.731 3.147 20 10 DGCDRN COCc1ccc(CC(=O)NCc2c(C)cc(C)cc2O)cc1 ZINC001182200393 1083647149 /nfs/dbraw/zinc/64/71/49/1083647149.db2.gz KCCIJMCLUVOWAV-UHFFFAOYSA-N 0 0 313.397 3.014 20 10 DGCDRN Cc1cc(C)c(CNC(=O)Cc2cc3ccccc3n2C)c(O)c1 ZINC001182268812 1083662169 /nfs/dbraw/zinc/66/21/69/1083662169.db2.gz KRQLTGLWWDHSND-UHFFFAOYSA-N 0 0 322.408 3.360 20 10 DGCDRN O=C1N=C(NC2CCCCC2)SC1=Cc1cccc(O)c1 ZINC000212057937 1083721677 /nfs/dbraw/zinc/72/16/77/1083721677.db2.gz UNMSTVMGGTVYIH-GXDHUFHOSA-N 0 0 302.399 3.285 20 10 DGCDRN Cc1cc(C)c(CNC(=O)[C@]23CC[C@H](O2)c2ccccc23)c(O)c1 ZINC001182487562 1083741799 /nfs/dbraw/zinc/74/17/99/1083741799.db2.gz JQBMGQLJDJLZBP-AZUAARDMSA-N 0 0 323.392 3.386 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C ZINC001126082409 1083796295 /nfs/dbraw/zinc/79/62/95/1083796295.db2.gz MGRSNCPIAWBDOJ-OWIUFQIYSA-N 0 0 300.446 3.359 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC001182918252 1083840978 /nfs/dbraw/zinc/84/09/78/1083840978.db2.gz KVSSKGPCVFLKNW-SJKOYZFVSA-N 0 0 311.372 3.452 20 10 DGCDRN Cc1cc(C)c(CNC(=O)CCOCc2ccccc2)c(O)c1 ZINC001183095412 1083876766 /nfs/dbraw/zinc/87/67/66/1083876766.db2.gz SDMQHHLDQNAKJB-UHFFFAOYSA-N 0 0 313.397 3.232 20 10 DGCDRN CC(C)(C)OC(=O)[C@@]1(C)CCCN1Cc1cccc(F)c1O ZINC001183179532 1083889092 /nfs/dbraw/zinc/88/90/92/1083889092.db2.gz FYVYIXIJHXSCBX-QGZVFWFLSA-N 0 0 309.381 3.228 20 10 DGCDRN COc1ccc2c(c1)c1c(n2CC(=O)NC2(C)CC2)CCCC1 ZINC001126215190 1083976402 /nfs/dbraw/zinc/97/64/02/1083976402.db2.gz LMOHAKCBYLUMCZ-UHFFFAOYSA-N 0 0 312.413 3.197 20 10 DGCDRN COC[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccc(F)cc1 ZINC001184277678 1084149389 /nfs/dbraw/zinc/14/93/89/1084149389.db2.gz LRGJGVFSBRPVIZ-AWEZNQCLSA-N 0 0 311.303 3.287 20 10 DGCDRN C[C@H](NC(=O)N1CCc2cccc(O)c2C1)C1CCCCC1 ZINC001186387700 1084638263 /nfs/dbraw/zinc/63/82/63/1084638263.db2.gz VGKQUKKJSOEHSW-ZDUSSCGKSA-N 0 0 302.418 3.429 20 10 DGCDRN OC[C@H]1CCC[C@H](C(F)(F)F)N1Cc1cc(Cl)ccc1O ZINC001203651665 1084737512 /nfs/dbraw/zinc/73/75/12/1084737512.db2.gz SBDBOSBDVKUGOU-DGCLKSJQSA-N 0 0 323.742 3.323 20 10 DGCDRN Cc1csc2ccc(NCCc3cc(O)c(O)cc3O)nc12 ZINC001168006829 1086158002 /nfs/dbraw/zinc/15/80/02/1086158002.db2.gz UQQGPOLDHXZRGB-UHFFFAOYSA-N 0 0 316.382 3.376 20 10 DGCDRN Cc1cc(CC(=O)Nc2cnsn2)c(C)n1-c1ccccc1 ZINC001271758093 1086756687 /nfs/dbraw/zinc/75/66/87/1086756687.db2.gz SFRBTKXHFBMMNC-UHFFFAOYSA-N 0 0 312.398 3.127 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001142509136 1087274727 /nfs/dbraw/zinc/27/47/27/1087274727.db2.gz YFOHZRAJQSTABH-RKDXNWHRSA-N 0 0 313.241 3.250 20 10 DGCDRN Oc1cc(F)c(F)cc1CN1CCO[C@@H](Cc2ccccc2)C1 ZINC001142527274 1087278232 /nfs/dbraw/zinc/27/82/32/1087278232.db2.gz QYZPTXJYALRYJW-HNNXBMFYSA-N 0 0 319.351 3.114 20 10 DGCDRN Cc1ccc2[nH]c(C(=O)NCc3ccc(O)cc3O)cc2c1C ZINC001142533414 1087278865 /nfs/dbraw/zinc/27/88/65/1087278865.db2.gz JHCQMPVTXFXJSY-UHFFFAOYSA-N 0 0 310.353 3.126 20 10 DGCDRN Cn1cnc(/C=C\C(=O)N2CC(C)(C)Sc3ccccc32)c1 ZINC001126984369 1087431316 /nfs/dbraw/zinc/43/13/16/1087431316.db2.gz ZDKZAFCCSXOMFB-HJWRWDBZSA-N 0 0 313.426 3.351 20 10 DGCDRN C[C@@H]1CN(Cc2c(O)cccc2Cl)C[C@](C)(C(F)F)O1 ZINC000698928424 1087708479 /nfs/dbraw/zinc/70/84/79/1087708479.db2.gz JSAQKNFERPBGRE-YMTOWFKASA-N 0 0 305.752 3.290 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1 ZINC000176398763 1087723975 /nfs/dbraw/zinc/72/39/75/1087723975.db2.gz WHUZDXDYNDJOQV-HZPDHXFCSA-N 0 0 301.434 3.084 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]2C)cc1F ZINC000176576803 1088014907 /nfs/dbraw/zinc/01/49/07/1088014907.db2.gz MNAYMPJDHFMQNA-ZDUSSCGKSA-N 0 0 307.413 3.366 20 10 DGCDRN Oc1ccc(CNc2ncnc3c(Cl)cccc23)cc1O ZINC001158994666 1088123397 /nfs/dbraw/zinc/12/33/97/1088123397.db2.gz RTXCKMUODLZLJT-UHFFFAOYSA-N 0 0 301.733 3.307 20 10 DGCDRN Oc1ccc(CNC(F)(F)c2ccnc(Cl)c2F)cc1O ZINC001158994348 1088123657 /nfs/dbraw/zinc/12/36/57/1088123657.db2.gz JILCLFAIJHHZAS-UHFFFAOYSA-N 0 0 318.682 3.124 20 10 DGCDRN Oc1ccc(CNc2cc3nc(Cl)cnc3cc2F)cc1O ZINC001158997600 1088125688 /nfs/dbraw/zinc/12/56/88/1088125688.db2.gz LRECPYOHMIGEOL-UHFFFAOYSA-N 0 0 319.723 3.446 20 10 DGCDRN Oc1ccc(CNc2nc(Cl)nc3cccc(F)c32)cc1O ZINC001158995560 1088126087 /nfs/dbraw/zinc/12/60/87/1088126087.db2.gz JXUCYOFQMFPZDE-UHFFFAOYSA-N 0 0 319.723 3.446 20 10 DGCDRN O=[N+]([O-])c1cc2ccccc2nc1NCc1ccc(O)c(O)c1 ZINC001158997878 1088126144 /nfs/dbraw/zinc/12/61/44/1088126144.db2.gz RYVXWLNNVRGLKV-UHFFFAOYSA-N 0 0 311.297 3.166 20 10 DGCDRN Oc1ccc(CNc2nc(Cl)nc3c2CCCCC3)cc1O ZINC001158995903 1088126451 /nfs/dbraw/zinc/12/64/51/1088126451.db2.gz QPSCJQGKXPHROE-UHFFFAOYSA-N 0 0 319.792 3.422 20 10 DGCDRN O=[N+]([O-])c1ccc2c(ccnc2NCc2ccc(O)c(O)c2)c1 ZINC001159005524 1088135756 /nfs/dbraw/zinc/13/57/56/1088135756.db2.gz ORKKWGBUNBHFLL-UHFFFAOYSA-N 0 0 311.297 3.166 20 10 DGCDRN Oc1ccc(CNc2ncc(F)c(-c3ccsc3)n2)cc1O ZINC001159005453 1088135922 /nfs/dbraw/zinc/13/59/22/1088135922.db2.gz LLSKPJNUVOZHMB-UHFFFAOYSA-N 0 0 317.345 3.368 20 10 DGCDRN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccc(Cl)c1O ZINC001159033450 1088153051 /nfs/dbraw/zinc/15/30/51/1088153051.db2.gz IVLCZCOFWKFJEN-UHFFFAOYSA-N 0 0 320.732 3.192 20 10 DGCDRN COc1ccc(N2CCN(Cc3nc(C)cs3)CC2)c(C)c1 ZINC001204381103 1088191575 /nfs/dbraw/zinc/19/15/75/1088191575.db2.gz VQXGQZWPPCMXDY-UHFFFAOYSA-N 0 0 317.458 3.091 20 10 DGCDRN O=C(CNc1cc(-c2ccccc2)ccn1)c1ccc(O)c(O)c1 ZINC001159277717 1088265396 /nfs/dbraw/zinc/26/53/96/1088265396.db2.gz WOJSQOKJQVBSSV-UHFFFAOYSA-N 0 0 320.348 3.455 20 10 DGCDRN CCc1ccc2c(c1)[C@H](NC(=O)C1=CC(=O)CS1)CCO2 ZINC001153831514 1088375482 /nfs/dbraw/zinc/37/54/82/1088375482.db2.gz ARIOAXLFMOFXFS-CYBMUJFWSA-N 0 0 303.383 3.270 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1cc(C2CC2)[nH]c1C1CC1 ZINC001153889086 1088394925 /nfs/dbraw/zinc/39/49/25/1088394925.db2.gz LQLYRIXCVVBPBC-UHFFFAOYSA-N 0 0 312.369 3.111 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1ccc(-c2ccccc2)o1 ZINC001153884384 1088395638 /nfs/dbraw/zinc/39/56/38/1088395638.db2.gz DEIKKVRAUADNHF-UHFFFAOYSA-N 0 0 309.321 3.288 20 10 DGCDRN O=C(c1ccc2cc(F)ccc2n1)N1CCc2cccc(O)c2C1 ZINC001153893525 1088397424 /nfs/dbraw/zinc/39/74/24/1088397424.db2.gz NBZIAJKJPDDAJY-UHFFFAOYSA-N 0 0 322.339 3.278 20 10 DGCDRN Cc1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)cn2ccnc12 ZINC001159808066 1088499423 /nfs/dbraw/zinc/49/94/23/1088499423.db2.gz JFHGZPRVEZLXDD-UHFFFAOYSA-N 0 0 322.328 3.057 20 10 DGCDRN CCOC(=O)c1ccc(-n2cccn2)cc1Nc1ccc(N)cc1 ZINC001159934120 1088558460 /nfs/dbraw/zinc/55/84/60/1088558460.db2.gz AFCYZIVVLMPVHV-UHFFFAOYSA-N 0 0 322.368 3.375 20 10 DGCDRN Nc1cc(NCc2cc3ccccc3cc2O)ncc1[N+](=O)[O-] ZINC001160206389 1088697753 /nfs/dbraw/zinc/69/77/53/1088697753.db2.gz HJSSPJBRXIWFLT-UHFFFAOYSA-N 0 0 310.313 3.043 20 10 DGCDRN CCN(Cc1ccccc1O)c1nccc(-c2cccnc2F)n1 ZINC001154888942 1088809745 /nfs/dbraw/zinc/80/97/45/1088809745.db2.gz LJFQQDZNRCDTTJ-UHFFFAOYSA-N 0 0 324.359 3.410 20 10 DGCDRN CCN(Cc1ccccc1O)c1ncc2ccc(OC)cc2n1 ZINC001154890062 1088812907 /nfs/dbraw/zinc/81/29/07/1088812907.db2.gz PJBXELRNTXOVMA-UHFFFAOYSA-N 0 0 309.369 3.371 20 10 DGCDRN Cc1cc(C)c(CNC(F)(F)c2cc(Cl)ncn2)c(O)c1 ZINC001160808065 1088971061 /nfs/dbraw/zinc/97/10/61/1088971061.db2.gz ICEMNYOSNIYYGY-UHFFFAOYSA-N 0 0 313.735 3.292 20 10 DGCDRN CSc1nc(Cl)nc(NCc2c(C)cc(C)cc2O)n1 ZINC001160808088 1088972179 /nfs/dbraw/zinc/97/21/79/1088972179.db2.gz JIVYWIYUJFDLAY-UHFFFAOYSA-N 0 0 310.810 3.181 20 10 DGCDRN COC(=O)c1nc(NCc2c(C)cc(C)cc2O)ccc1Cl ZINC001160809938 1088973522 /nfs/dbraw/zinc/97/35/22/1088973522.db2.gz FGUZVCXDCMHPOG-UHFFFAOYSA-N 0 0 320.776 3.456 20 10 DGCDRN Cc1cc(C)c(CNc2nc(C(N)=O)cc3ccccc32)c(O)c1 ZINC001160811262 1088977721 /nfs/dbraw/zinc/97/77/21/1088977721.db2.gz IQLOWHZNMGFLQI-UHFFFAOYSA-N 0 0 321.380 3.268 20 10 DGCDRN Cc1c(C)c(C(=O)NCc2ccccc2O)nc2ccccc12 ZINC001155216663 1089011777 /nfs/dbraw/zinc/01/17/77/1089011777.db2.gz PYHFOWKBADFVSD-UHFFFAOYSA-N 0 0 306.365 3.487 20 10 DGCDRN CC(C)CS(=O)(=O)Oc1ccc2c(c1)c1c(n2C)CCCC1 ZINC001212278122 1089237191 /nfs/dbraw/zinc/23/71/91/1089237191.db2.gz JYPJHNIVBTWKEO-UHFFFAOYSA-N 0 0 321.442 3.422 20 10 DGCDRN CCc1ncnc(Cl)c1N1CCCc2cc(O)c(O)cc2C1 ZINC001155933023 1089302920 /nfs/dbraw/zinc/30/29/20/1089302920.db2.gz HOXMKBXFJUSEMX-UHFFFAOYSA-N 0 0 319.792 3.056 20 10 DGCDRN COc1cc(Cl)cc(N2CCCc3cc(O)c(O)cc3C2)n1 ZINC001155940940 1089305275 /nfs/dbraw/zinc/30/52/75/1089305275.db2.gz BMHZXHCLZHJRMP-UHFFFAOYSA-N 0 0 320.776 3.108 20 10 DGCDRN COc1ccc(Cl)nc1N1CCCc2cc(O)c(O)cc2C1 ZINC001155941545 1089305676 /nfs/dbraw/zinc/30/56/76/1089305676.db2.gz SIIOAXHHNWIIFT-UHFFFAOYSA-N 0 0 320.776 3.108 20 10 DGCDRN CSc1ccnc(N2CCCc3cc(O)c(O)cc3C2)c1 ZINC001155944481 1089308195 /nfs/dbraw/zinc/30/81/95/1089308195.db2.gz FXPXUPUDSCVCLU-UHFFFAOYSA-N 0 0 302.399 3.168 20 10 DGCDRN CC(C)(C)c1cc(N2CCCc3cc(O)c(O)cc3C2)ncn1 ZINC001155945343 1089309560 /nfs/dbraw/zinc/30/95/60/1089309560.db2.gz SRJGJEWEOAFIKJ-UHFFFAOYSA-N 0 0 313.401 3.138 20 10 DGCDRN COc1ccc(Cl)cc1C(=O)NCc1c(O)cccc1F ZINC001156164104 1089413788 /nfs/dbraw/zinc/41/37/88/1089413788.db2.gz MUVSEUQGVAJLNG-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cc(C2CCCCC2)n[nH]1 ZINC001156170302 1089415860 /nfs/dbraw/zinc/41/58/60/1089415860.db2.gz KSIGGFLTUSWZEG-UHFFFAOYSA-N 0 0 317.364 3.232 20 10 DGCDRN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCc2c(O)cccc2O)o1 ZINC001156880991 1089729964 /nfs/dbraw/zinc/72/99/64/1089729964.db2.gz KXXYHKQSDVTJHY-YPMHNXCESA-N 0 0 315.369 3.063 20 10 DGCDRN CC(C)COc1cncc(N(C)Cc2ccc(N(C)C)cc2)n1 ZINC001156920748 1089743272 /nfs/dbraw/zinc/74/32/72/1089743272.db2.gz KVDMMGLALARGJC-UHFFFAOYSA-N 0 0 314.433 3.214 20 10 DGCDRN CN(C)c1ccc(CN(C)c2nc(Cl)c(F)cc2N)cc1 ZINC001156921006 1089744531 /nfs/dbraw/zinc/74/45/31/1089744531.db2.gz OGZWPFLEZCDSSY-UHFFFAOYSA-N 0 0 308.788 3.159 20 10 DGCDRN COc1ccc(Cl)c(N(C)Cc2ccc(N(C)C)cc2)n1 ZINC001156924393 1089746464 /nfs/dbraw/zinc/74/64/64/1089746464.db2.gz ZLRBNCQIEFYFDY-UHFFFAOYSA-N 0 0 305.809 3.446 20 10 DGCDRN CC(C)c1ncncc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001157041979 1089796634 /nfs/dbraw/zinc/79/66/34/1089796634.db2.gz RTRKEDPSLBWECJ-UHFFFAOYSA-N 0 0 321.380 3.389 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cnc2n1CCCC2 ZINC001157041525 1089797891 /nfs/dbraw/zinc/79/78/91/1089797891.db2.gz IHMXOQYJLRMHBA-UHFFFAOYSA-N 0 0 321.380 3.008 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)CCCOC(C)(C)C ZINC001157101620 1089825468 /nfs/dbraw/zinc/82/54/68/1089825468.db2.gz BWPNHKGLMLIOHC-UHFFFAOYSA-N 0 0 314.422 3.089 20 10 DGCDRN Nc1ccc(CNc2nc(Cl)nc(-c3ccccc3)n2)cc1 ZINC001162784508 1089953780 /nfs/dbraw/zinc/95/37/80/1089953780.db2.gz PKVPFKUHYXPDDX-UHFFFAOYSA-N 0 0 311.776 3.386 20 10 DGCDRN COC(=O)c1ccc2c(ccnc2NCc2ccc(N)cc2)c1 ZINC001162784510 1089955680 /nfs/dbraw/zinc/95/56/80/1089955680.db2.gz PRIHZIJLYCOXNX-UHFFFAOYSA-N 0 0 307.353 3.216 20 10 DGCDRN Nc1ccc(CNc2cnc(OCc3ccccc3)cn2)cc1 ZINC001162787142 1089956210 /nfs/dbraw/zinc/95/62/10/1089956210.db2.gz GLIVNOSAAQAWQN-UHFFFAOYSA-N 0 0 306.369 3.250 20 10 DGCDRN Nc1ccc(CNc2nc(Cl)cc(-c3ccncc3)n2)cc1 ZINC001162790450 1089956933 /nfs/dbraw/zinc/95/69/33/1089956933.db2.gz SWCRAKLFIKIHMD-UHFFFAOYSA-N 0 0 311.776 3.386 20 10 DGCDRN CN(Cc1ccccc1O)c1ccc2cnccc2c1[N+](=O)[O-] ZINC001162838705 1089985840 /nfs/dbraw/zinc/98/58/40/1089985840.db2.gz RKEDXGJWAKUBMY-UHFFFAOYSA-N 0 0 309.325 3.485 20 10 DGCDRN Cc1cnc(NCc2cc(Cl)c3cccnc3c2O)cn1 ZINC001157724012 1090088930 /nfs/dbraw/zinc/08/89/30/1090088930.db2.gz JHFSUTIFXUPLKD-UHFFFAOYSA-N 0 0 300.749 3.304 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H]1CC1CCCC1 ZINC001164105366 1090343156 /nfs/dbraw/zinc/34/31/56/1090343156.db2.gz WNELFKCZMDEZAG-OAHLLOKOSA-N 0 0 303.402 3.212 20 10 DGCDRN Oc1cccc(O)c1CNc1nccc(Oc2ccccc2)n1 ZINC001164212340 1090373303 /nfs/dbraw/zinc/37/33/03/1090373303.db2.gz MBKLIAOHBQOQQF-UHFFFAOYSA-N 0 0 309.325 3.292 20 10 DGCDRN COc1ccc(F)cc1C(=O)NCc1cc(Cl)ccc1O ZINC001165498366 1090525495 /nfs/dbraw/zinc/52/54/95/1090525495.db2.gz MMFFJJHUAORJEP-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN Clc1ccnc2ccc(-c3noc(-c4csnn4)n3)cc12 ZINC001212361738 1090574696 /nfs/dbraw/zinc/57/46/96/1090574696.db2.gz DETUDKXMMOLDNV-UHFFFAOYSA-N 0 0 315.745 3.457 20 10 DGCDRN COc1ccc(-c2noc(-c3csnn3)n2)c2ccccc12 ZINC001212364719 1090579466 /nfs/dbraw/zinc/57/94/66/1090579466.db2.gz ZCJMUSKRINOPCJ-UHFFFAOYSA-N 0 0 310.338 3.417 20 10 DGCDRN COC(=O)c1cnc(SCc2cccc(Cl)n2)s1 ZINC001166235499 1090591015 /nfs/dbraw/zinc/59/10/15/1090591015.db2.gz STACLKJVGOVBKX-UHFFFAOYSA-N 0 0 300.792 3.270 20 10 DGCDRN Nc1ccc(Cc2ccccc2Nc2ccc(CO)nc2)cc1 ZINC001212382532 1090605616 /nfs/dbraw/zinc/60/56/16/1090605616.db2.gz ZQWYGZDCZLNHFO-UHFFFAOYSA-N 0 0 305.381 3.491 20 10 DGCDRN Cc1snnc1-c1nc(-c2nc3ccccc3cc2C)no1 ZINC001212405471 1090626632 /nfs/dbraw/zinc/62/66/32/1090626632.db2.gz UOHXWRDPIHSWOD-UHFFFAOYSA-N 0 0 309.354 3.420 20 10 DGCDRN O=C(c1ccccn1)c1cc(Cl)ccc1NC1=CCOC1 ZINC001203395645 1090729913 /nfs/dbraw/zinc/72/99/13/1090729913.db2.gz KFCZTTKFMHDSNN-UHFFFAOYSA-N 0 0 300.745 3.292 20 10 DGCDRN O=C1CC2(CC[NH+](Cc3ccccc3O)CC2)Oc2ccccc21 ZINC001203556084 1090754395 /nfs/dbraw/zinc/75/43/95/1090754395.db2.gz KAYPZGAPHVOQJM-UHFFFAOYSA-N 0 0 323.392 3.392 20 10 DGCDRN Oc1ccccc1CN(Cc1cccnc1)Cc1ccccn1 ZINC001203556693 1090755504 /nfs/dbraw/zinc/75/55/04/1090755504.db2.gz UBZJOUIHXXMCDS-UHFFFAOYSA-N 0 0 305.381 3.385 20 10 DGCDRN CC[NH+]1C[C@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]2C1 ZINC001203587023 1090762290 /nfs/dbraw/zinc/76/22/90/1090762290.db2.gz YSQNKJWSPSTZDS-RYUDHWBXSA-N 0 0 315.244 3.083 20 10 DGCDRN COc1ccc(CN2CCc3nc(Cl)ccc3C2)c(O)c1 ZINC001203627416 1090768834 /nfs/dbraw/zinc/76/88/34/1090768834.db2.gz CKUYRRSLKLTKEQ-UHFFFAOYSA-N 0 0 304.777 3.008 20 10 DGCDRN Oc1ccc(Cl)cc1CN1CC(OCc2ccccc2)C1 ZINC001203657697 1090774373 /nfs/dbraw/zinc/77/43/73/1090774373.db2.gz MMEBZGZJAZQIIP-UHFFFAOYSA-N 0 0 303.789 3.447 20 10 DGCDRN Cc1ccc2c(n1)N(C)CCN(Cc1cc(Cl)ccc1O)C2 ZINC001203655706 1090774879 /nfs/dbraw/zinc/77/48/79/1090774879.db2.gz BCCFBGJOEDBJNA-UHFFFAOYSA-N 0 0 317.820 3.201 20 10 DGCDRN CCN(CC)c1ccc(CNc2cnc3ccnn3c2)cc1F ZINC001204027302 1090875823 /nfs/dbraw/zinc/87/58/23/1090875823.db2.gz DYPACLWFJOQFPS-UHFFFAOYSA-N 0 0 313.380 3.327 20 10 DGCDRN Oc1ccc(CN2CCOC[C@H]2c2ccccc2Cl)c(O)c1 ZINC001204278223 1090939516 /nfs/dbraw/zinc/93/95/16/1090939516.db2.gz ZAJXASAIYBKTOB-INIZCTEOSA-N 0 0 319.788 3.325 20 10 DGCDRN O=C1CN(Cc2ccc(N3CCCCC3)cc2)CCC[C@H]1F ZINC001138215425 1091118229 /nfs/dbraw/zinc/11/82/29/1091118229.db2.gz FGZVDMSOXVIWQP-QGZVFWFLSA-N 0 0 304.409 3.180 20 10 DGCDRN CCc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)c(O)c1 ZINC001292206211 1091137058 /nfs/dbraw/zinc/13/70/58/1091137058.db2.gz CEQBBPLJMJHYGQ-UHFFFAOYSA-N 0 0 324.424 3.267 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CC[C@@]3(CCCO3)C2)c(OC)c1 ZINC001138385850 1091161507 /nfs/dbraw/zinc/16/15/07/1091161507.db2.gz AXRPEOYMQLWUEC-IBGZPJMESA-N 0 0 318.461 3.296 20 10 DGCDRN CCn1nccc1Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001205295339 1091169809 /nfs/dbraw/zinc/16/98/09/1091169809.db2.gz NVJKKXLRVJLGLS-UHFFFAOYSA-N 0 0 317.348 3.422 20 10 DGCDRN [O-]c1cccc(F)c1C[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC001137837352 1091206148 /nfs/dbraw/zinc/20/61/48/1091206148.db2.gz CGFAVCXFYQEHQG-UHFFFAOYSA-N 0 0 319.351 3.154 20 10 DGCDRN Cc1ccc2c(c1)OCCN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001294220491 1091360915 /nfs/dbraw/zinc/36/09/15/1091360915.db2.gz SXRNMUDXOAHFNM-UHFFFAOYSA-N 0 0 324.340 3.197 20 10 DGCDRN Cc1ncc(-c2ncnc3c2ccn3Cc2ccccc2)cn1 ZINC001205826656 1091367985 /nfs/dbraw/zinc/36/79/85/1091367985.db2.gz VUWYUEQSCFBHML-UHFFFAOYSA-N 0 0 301.353 3.245 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CC(c2ccccc2)C1 ZINC001139131645 1091458546 /nfs/dbraw/zinc/45/85/46/1091458546.db2.gz QRVGOQCUMLLQFY-UHFFFAOYSA-N 0 0 321.376 3.406 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(Cl)ncc2F)c1 ZINC001294938181 1091473999 /nfs/dbraw/zinc/47/39/99/1091473999.db2.gz XHUYSNRTCWTODL-QMMMGPOBSA-N 0 0 324.739 3.079 20 10 DGCDRN [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2O)CC[C@H]1F ZINC001206201816 1091531824 /nfs/dbraw/zinc/53/18/24/1091531824.db2.gz YZWAOVUGQYUFLD-MSOLQXFVSA-N 0 0 314.404 3.320 20 10 DGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001139683651 1091641073 /nfs/dbraw/zinc/64/10/73/1091641073.db2.gz PQRUIJCEUUIJEV-GFCCVEGCSA-N 0 0 304.340 3.445 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)C1CCC(C(F)(F)F)CC1 ZINC000827714962 1091777946 /nfs/dbraw/zinc/77/79/46/1091777946.db2.gz FDKAOWHHOTZZLC-UHFFFAOYSA-N 0 0 317.307 3.083 20 10 DGCDRN CCC/C=C\[C@H](O)C(=O)N(CCCC)Cc1ccccc1O ZINC001297004921 1091819120 /nfs/dbraw/zinc/81/91/20/1091819120.db2.gz DJCITHJRAOMKEV-PJCWUCBCSA-N 0 0 305.418 3.238 20 10 DGCDRN CCC/C=C/[C@H](O)C(=O)N(CCCC)Cc1ccccc1O ZINC001297004920 1091819425 /nfs/dbraw/zinc/81/94/25/1091819425.db2.gz DJCITHJRAOMKEV-CRVDFBCUSA-N 0 0 305.418 3.238 20 10 DGCDRN CC(C)c1nc(CC[N@H+](C)Cc2c(O)cccc2Cl)no1 ZINC001140337846 1091833714 /nfs/dbraw/zinc/83/37/14/1091833714.db2.gz JEKXBVYNXNBYNT-UHFFFAOYSA-N 0 0 309.797 3.227 20 10 DGCDRN CCc1noc([C@H]2CCC[N@H+](Cc3c(O)cccc3Cl)C2)n1 ZINC001140341734 1091834711 /nfs/dbraw/zinc/83/47/11/1091834711.db2.gz FIGPLTDXKHUCBV-NSHDSACASA-N 0 0 321.808 3.371 20 10 DGCDRN CN(CC(=O)OCc1ccccc1)Cc1c(O)cccc1Cl ZINC001140342649 1091834797 /nfs/dbraw/zinc/83/47/97/1091834797.db2.gz SJHGQZIHRLTGTO-UHFFFAOYSA-N 0 0 319.788 3.221 20 10 DGCDRN O=C(c1ccccc1)[C@@H]1CC[N@@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140585489 1091921614 /nfs/dbraw/zinc/92/16/14/1091921614.db2.gz KJIIMWKAXNQTCP-CYBMUJFWSA-N 0 0 317.335 3.375 20 10 DGCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001140585303 1091921735 /nfs/dbraw/zinc/92/17/35/1091921735.db2.gz DOKOTBHCRNDULM-MRXNPFEDSA-N 0 0 311.372 3.452 20 10 DGCDRN CCOCc1cnc2n1CCN(Cc1cc(C)ccc1O)[C@@H]2C ZINC001140621677 1091934239 /nfs/dbraw/zinc/93/42/39/1091934239.db2.gz OWSZMOBTLAPTBS-CQSZACIVSA-N 0 0 315.417 3.010 20 10 DGCDRN Cc1c(O)ccc(CN2CCCC[C@H]2C(=O)OC(C)(C)C)c1O ZINC001140746281 1091982997 /nfs/dbraw/zinc/98/29/97/1091982997.db2.gz XRCFHRKRRVJVRH-AWEZNQCLSA-N 0 0 321.417 3.102 20 10 DGCDRN CC[N@H+](Cc1ccc(C(=O)[O-])o1)Cc1ccc(N(C)C)cc1 ZINC001140948876 1092075230 /nfs/dbraw/zinc/07/52/30/1092075230.db2.gz FWAWJMYODUVDRP-UHFFFAOYSA-N 0 0 302.374 3.066 20 10 DGCDRN COc1cc(O)c(C[N@@H+]2CCc3ccc(C)cc3C2)c(OC)c1 ZINC001141031457 1092112793 /nfs/dbraw/zinc/11/27/93/1092112793.db2.gz FLODAYLJNDNRFJ-UHFFFAOYSA-N 0 0 313.397 3.276 20 10 DGCDRN COc1cc(O)c(C[N@H+](C)Cc2ccc(F)cc2)c(OC)c1 ZINC001141032016 1092112970 /nfs/dbraw/zinc/11/29/70/1092112970.db2.gz QCYCRBWNPZRECF-UHFFFAOYSA-N 0 0 305.349 3.181 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2ocnc2C)C1 ZINC001141052977 1092119862 /nfs/dbraw/zinc/11/98/62/1092119862.db2.gz VPZOFWWLOSJIKS-UHFFFAOYSA-N 0 0 311.385 3.042 20 10 DGCDRN c1c(CN2CC3(C2)CCCCO3)cc2c3c1CCCN3CCC2 ZINC001141074774 1092129992 /nfs/dbraw/zinc/12/99/92/1092129992.db2.gz BHNUZZYINQYPKZ-UHFFFAOYSA-N 0 0 312.457 3.140 20 10 DGCDRN Cc1nc2c(o1)CCN(Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141078767 1092130815 /nfs/dbraw/zinc/13/08/15/1092130815.db2.gz IBABOPWSUSFEOY-UHFFFAOYSA-N 0 0 323.440 3.240 20 10 DGCDRN CCON(Cc1ccccc1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001299057439 1092148110 /nfs/dbraw/zinc/14/81/10/1092148110.db2.gz WMFVLARRSUHGNG-PKNBQFBNSA-N 0 0 313.353 3.091 20 10 DGCDRN CN1CCOc2cc(C[N@@H+]3CCOC4(CCCCC4)C3)ccc21 ZINC001141144802 1092150119 /nfs/dbraw/zinc/15/01/19/1092150119.db2.gz KWKLBCFZBLXPCX-UHFFFAOYSA-N 0 0 316.445 3.050 20 10 DGCDRN Oc1ccc(O)c(CN2CCc3ncc(C(F)(F)F)cc3C2)c1 ZINC001141160376 1092155979 /nfs/dbraw/zinc/15/59/79/1092155979.db2.gz WIXPRDRBDURFLM-UHFFFAOYSA-N 0 0 324.302 3.070 20 10 DGCDRN COc1cc(F)c(CN2CCc3cccc(O)c3C2)cc1OC ZINC001141285289 1092197647 /nfs/dbraw/zinc/19/76/47/1092197647.db2.gz LREUXYLEGDLLLK-UHFFFAOYSA-N 0 0 317.360 3.107 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1 ZINC001141401788 1092230455 /nfs/dbraw/zinc/23/04/55/1092230455.db2.gz NVEYPFPYAYARDV-UHFFFAOYSA-N 0 0 303.709 3.150 20 10 DGCDRN O=C(NCc1ccccc1O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001545682271 1092303814 /nfs/dbraw/zinc/30/38/14/1092303814.db2.gz ZJFJLUNICQBKMX-UONOGXRCSA-N 0 0 303.308 3.090 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1ccc(F)cc1F ZINC001168858993 1092402539 /nfs/dbraw/zinc/40/25/39/1092402539.db2.gz JCLHQDPHKYPZGK-UHFFFAOYSA-N 0 0 304.340 3.430 20 10 DGCDRN O=C(Nc1ccc(-c2csnn2)cc1)C1=CC(=O)CS1 ZINC001142083212 1092406074 /nfs/dbraw/zinc/40/60/74/1092406074.db2.gz YPONULAXFSMTNG-UHFFFAOYSA-N 0 0 303.368 3.225 20 10 DGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)Cc2ccccn2)cc1 ZINC001142164189 1092425793 /nfs/dbraw/zinc/42/57/93/1092425793.db2.gz DIKRRDUNVLKADH-UHFFFAOYSA-N 0 0 317.392 3.440 20 10 DGCDRN Cc1nc([C@H]2CCCCN2Cc2cc(F)c(F)cc2O)no1 ZINC001142524852 1092493360 /nfs/dbraw/zinc/49/33/60/1092493360.db2.gz NIZWXNMKWSYJMM-CYBMUJFWSA-N 0 0 309.316 3.089 20 10 DGCDRN COc1ccc(C[N@H+](C)Cc2cc(F)c(F)cc2[O-])cc1OC ZINC001142521096 1092494240 /nfs/dbraw/zinc/49/42/40/1092494240.db2.gz XMTTUAFCZNMTRL-UHFFFAOYSA-N 0 0 323.339 3.320 20 10 DGCDRN CCOC(=O)[C@@]12C[C@@H]1CCN2Cc1cccc(C(C)(C)C)c1O ZINC001143103996 1092615085 /nfs/dbraw/zinc/61/50/85/1092615085.db2.gz ANTSKPGLACABQY-IFXJQAMLSA-N 0 0 317.429 3.217 20 10 DGCDRN CC(C)(C)c1cccc(CN2CC(F)(F)C[C@@]2(C)CO)c1O ZINC001143103629 1092615291 /nfs/dbraw/zinc/61/52/91/1092615291.db2.gz HXIKEDYLAYMERW-INIZCTEOSA-N 0 0 313.388 3.282 20 10 DGCDRN Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)CO2 ZINC001149786322 1092732020 /nfs/dbraw/zinc/73/20/20/1092732020.db2.gz YQHJCUKKWMOVEB-AWEZNQCLSA-N 0 0 324.340 3.021 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(CN2CCn3nccc3C2)cc1 ZINC001209520110 1092807882 /nfs/dbraw/zinc/80/78/82/1092807882.db2.gz NGQGBAPOYYHNOB-UHFFFAOYSA-N 0 0 306.413 3.306 20 10 DGCDRN Brc1cc(Nc2ccc3c(c2)OCCN3)ccn1 ZINC001209705492 1092889601 /nfs/dbraw/zinc/88/96/01/1092889601.db2.gz UGPCSHZFUKIPCU-UHFFFAOYSA-N 0 0 306.163 3.392 20 10 DGCDRN CCS(=O)(=O)c1ccc(Nc2ccc3c(c2)OCCN3)cc1 ZINC001209728175 1092895597 /nfs/dbraw/zinc/89/55/97/1092895597.db2.gz LPKNVJVBGZKFIG-UHFFFAOYSA-N 0 0 318.398 3.028 20 10 DGCDRN O=C(NC1CC1)c1ccc(Nc2ccc3c(c2)OCCN3)cc1 ZINC001209766244 1092912098 /nfs/dbraw/zinc/91/20/98/1092912098.db2.gz KOCYNJVXDKSAQH-UHFFFAOYSA-N 0 0 309.369 3.127 20 10 DGCDRN CN1Cc2cc(Nc3ccc4c(c3)OCCN4)ccc2NC1=O ZINC001209789231 1092924022 /nfs/dbraw/zinc/92/40/22/1092924022.db2.gz MWPMTZXKRXTONF-UHFFFAOYSA-N 0 0 310.357 3.212 20 10 DGCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1-c1ncccc1F ZINC001209805209 1092933280 /nfs/dbraw/zinc/93/32/80/1092933280.db2.gz JCFXJAWZVBOOLS-PXTJVOGYSA-N 0 0 308.320 3.488 20 10 DGCDRN COCCOC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC001210039688 1093025504 /nfs/dbraw/zinc/02/55/04/1093025504.db2.gz WGYSKMRCXWGWNA-UHFFFAOYSA-N 0 0 307.390 3.310 20 10 DGCDRN CC(C)COc1ccccc1N(CCO)c1ccc(N)cc1 ZINC001213253198 1093551222 /nfs/dbraw/zinc/55/12/22/1093551222.db2.gz CHGSDFWEPKZNEC-UHFFFAOYSA-N 0 0 300.402 3.434 20 10 DGCDRN Cn1ccc2cc(-c3noc(-c4cccc(O)c4O)n3)ccc21 ZINC001215143530 1093926399 /nfs/dbraw/zinc/92/63/99/1093926399.db2.gz ADQXLNWHXXZRCT-UHFFFAOYSA-N 0 0 307.309 3.307 20 10 DGCDRN CCN1CCc2ccc(-c3noc(-c4cccc(O)c4O)n3)cc21 ZINC001215145973 1093927128 /nfs/dbraw/zinc/92/71/28/1093927128.db2.gz VDVQHHIAASPMDX-UHFFFAOYSA-N 0 0 323.352 3.197 20 10 DGCDRN Cc1noc2ccc(-c3noc(-c4ccc(O)c(O)c4)n3)cc12 ZINC001215304622 1093955715 /nfs/dbraw/zinc/95/57/15/1093955715.db2.gz WAZHQRFFXYFOFX-UHFFFAOYSA-N 0 0 309.281 3.264 20 10 DGCDRN Oc1ccc(-c2nc(-c3ccc(C(F)(F)F)nc3)no2)cc1O ZINC001215304770 1093955756 /nfs/dbraw/zinc/95/57/56/1093955756.db2.gz YNMVNKSGTMMJJP-UHFFFAOYSA-N 0 0 323.230 3.229 20 10 DGCDRN Cc1cc(F)cc(-c2noc(-c3ccc(O)c(O)c3)n2)c1F ZINC001215304513 1093956046 /nfs/dbraw/zinc/95/60/46/1093956046.db2.gz QBAXTLWMEXKFPW-UHFFFAOYSA-N 0 0 304.252 3.401 20 10 DGCDRN Cc1cc(F)c(F)c(-c2noc(-c3cc(O)c(O)c(O)c3)n2)c1 ZINC001215327426 1093961338 /nfs/dbraw/zinc/96/13/38/1093961338.db2.gz AMPAIMBNDZBNNA-UHFFFAOYSA-N 0 0 320.251 3.107 20 10 DGCDRN Oc1cc(-c2nc(-c3cccc(Cl)c3F)no2)cc(O)c1O ZINC001215327798 1093961498 /nfs/dbraw/zinc/96/14/98/1093961498.db2.gz UEBMRWWYXJJYOC-UHFFFAOYSA-N 0 0 322.679 3.313 20 10 DGCDRN COc1ccc(F)cc1NC(=O)N[C@@H](C)c1ccccc1O ZINC001215945815 1094092539 /nfs/dbraw/zinc/09/25/39/1094092539.db2.gz FCLIFQWGQGUFLH-JTQLQIEISA-N 0 0 304.321 3.423 20 10 DGCDRN COc1ccc(F)cc1NC(=O)NCc1cc(C)ccc1O ZINC001215946743 1094093626 /nfs/dbraw/zinc/09/36/26/1094093626.db2.gz VGXJPTNOPWHBPY-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN COCn1cc(N(c2ccc(N)cc2)c2ccc(N)cc2)cn1 ZINC001216578709 1094223429 /nfs/dbraw/zinc/22/34/29/1094223429.db2.gz SIPOTNLWTFABHG-UHFFFAOYSA-N 0 0 309.373 3.121 20 10 DGCDRN CCc1ccc(-c2noc(-c3cc(O)c(O)c(OC)c3)n2)cc1 ZINC001216944488 1094282366 /nfs/dbraw/zinc/28/23/66/1094282366.db2.gz QOXKKMVMGUIRSO-UHFFFAOYSA-N 0 0 312.325 3.386 20 10 DGCDRN COc1cc(-c2nc(-c3ccc(F)cc3C)no2)cc(O)c1O ZINC001216944474 1094282474 /nfs/dbraw/zinc/28/24/74/1094282474.db2.gz QGSCOXZUOZNSDB-UHFFFAOYSA-N 0 0 316.288 3.271 20 10 DGCDRN COc1cc(-c2nc(-c3ccc(C)c(C)c3)no2)cc(O)c1O ZINC001216944281 1094283011 /nfs/dbraw/zinc/28/30/11/1094283011.db2.gz LQVIEFDEGZKPNI-UHFFFAOYSA-N 0 0 312.325 3.440 20 10 DGCDRN Cn1cnc(/C=C\C(=O)N2CCCc3cc(Cl)ccc32)c1 ZINC001120247874 1094392942 /nfs/dbraw/zinc/39/29/42/1094392942.db2.gz HEQORJFGISWFSF-ALCCZGGFSA-N 0 0 301.777 3.066 20 10 DGCDRN Nc1ccc(CCNC(=O)N(CCc2ccccc2)C2CC2)cc1 ZINC001120541585 1094450518 /nfs/dbraw/zinc/45/05/18/1094450518.db2.gz ADBSVARZEKEEFE-UHFFFAOYSA-N 0 0 323.440 3.228 20 10 DGCDRN Nc1ccc(CNC(=O)N2C[C@@H]3CC[C@H]2c2ccccc23)cc1 ZINC001120677667 1094488176 /nfs/dbraw/zinc/48/81/76/1094488176.db2.gz WBKZWYZWHHMIRO-KSSFIOAISA-N 0 0 307.397 3.413 20 10 DGCDRN Nc1ccc(CNC(=O)N2CCC[C@@H]2c2cccs2)cc1 ZINC001336289854 1094615756 /nfs/dbraw/zinc/61/57/56/1094615756.db2.gz ATUGOQODMRTSDW-CQSZACIVSA-N 0 0 301.415 3.377 20 10 DGCDRN CO[C@@H]1CCC[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC001336439863 1094651276 /nfs/dbraw/zinc/65/12/76/1094651276.db2.gz WRKAQJPDWHUOTA-ZWKOTPCHSA-N 0 0 318.461 3.305 20 10 DGCDRN O=C1C=CC(=NNc2ccc(O[C@H]3CCNC(=O)C3)cc2)C=C1 ZINC001218209689 1094661833 /nfs/dbraw/zinc/66/18/33/1094661833.db2.gz KHGALNQFPRIASU-INIZCTEOSA-N 0 0 311.341 3.465 20 10 DGCDRN CN(C(=O)NCCc1ccc(N)cc1)[C@H]1CCc2ccccc2C1 ZINC001336702799 1094703048 /nfs/dbraw/zinc/70/30/48/1094703048.db2.gz FPQQLMBXJRFQKZ-IBGZPJMESA-N 0 0 323.440 3.010 20 10 DGCDRN Cc1cccc2c1CCC[C@H]2NC(=O)NCc1ccc(N)cc1 ZINC001336934484 1094786778 /nfs/dbraw/zinc/78/67/78/1094786778.db2.gz OPSHFFXXBLVGLO-GOSISDBHSA-N 0 0 309.413 3.454 20 10 DGCDRN C[C@@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)c1ccccn1 ZINC001136025432 1094802700 /nfs/dbraw/zinc/80/27/00/1094802700.db2.gz KEMBEPVNOXQKEQ-MRXNPFEDSA-N 0 0 323.440 3.444 20 10 DGCDRN CCc1ncoc1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC001337025417 1094822164 /nfs/dbraw/zinc/82/21/64/1094822164.db2.gz GMEXLFFPUPACOY-UHFFFAOYSA-N 0 0 315.417 3.354 20 10 DGCDRN CC[C@H](Cc1ccc(F)cc1)NC(=O)NCc1ccc(N)cc1 ZINC001337070574 1094841446 /nfs/dbraw/zinc/84/14/46/1094841446.db2.gz SFJNGGMAJJXBBX-QGZVFWFLSA-N 0 0 315.392 3.228 20 10 DGCDRN CC1(C)C[C@@H](COC(=O)/C=C\c2ccc(O)c(O)c2)C(C)(C)O1 ZINC001337308985 1094929357 /nfs/dbraw/zinc/92/93/57/1094929357.db2.gz GRYJNZQSXWSPME-WOLRVDTOSA-N 0 0 320.385 3.248 20 10 DGCDRN COc1cc(NC(=O)Cc2ccc(N)cc2)cc2cccnc21 ZINC001219201944 1094949948 /nfs/dbraw/zinc/94/99/48/1094949948.db2.gz OWYPRUWFYNNTIJ-UHFFFAOYSA-N 0 0 307.353 3.007 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)[C@H]1CCOC2(CCC2)C1 ZINC001337738027 1095078229 /nfs/dbraw/zinc/07/82/29/1095078229.db2.gz RZWZFRCAKKYITH-VIFPVBQESA-N 0 0 321.764 3.164 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc(C)nc2Cl)c1 ZINC001220442373 1095096896 /nfs/dbraw/zinc/09/68/96/1095096896.db2.gz FTORMLYQWVPWGI-UHFFFAOYSA-N 0 0 305.765 3.379 20 10 DGCDRN Cn1c2ccc(OC(=O)CC3(C)COC3)cc2c2c1CCCC2 ZINC001122981425 1095119727 /nfs/dbraw/zinc/11/97/27/1095119727.db2.gz RLDCIBHMCPIRPA-UHFFFAOYSA-N 0 0 313.397 3.389 20 10 DGCDRN CC[C@H](CO)NC(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001221381351 1095255650 /nfs/dbraw/zinc/25/56/50/1095255650.db2.gz XSEOJTBEPGJYSF-WMSNYHIESA-N 0 0 313.357 3.308 20 10 DGCDRN CC/C=C\CNC(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC001221878487 1095379413 /nfs/dbraw/zinc/37/94/13/1095379413.db2.gz ACNVWEXWKDADQB-FPLPWBNLSA-N 0 0 307.413 3.437 20 10 DGCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2C[C@H]2F)cc1 ZINC001123826316 1095449146 /nfs/dbraw/zinc/44/91/46/1095449146.db2.gz PIDRCQZINHDUOW-CHWSQXEVSA-N 0 0 318.314 3.002 20 10 DGCDRN CC[C@@H](Cc1cccc(C)c1)C(=O)NCc1cccc(O)c1O ZINC001123890552 1095473014 /nfs/dbraw/zinc/47/30/14/1095473014.db2.gz ZUWGYBYTSWIERC-HNNXBMFYSA-N 0 0 313.397 3.291 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N(C)Cc1cccs1 ZINC001339248266 1095559294 /nfs/dbraw/zinc/55/92/94/1095559294.db2.gz UTWMGUJMWBZDPO-UHFFFAOYSA-N 0 0 320.443 3.430 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc(F)c3ccncc23)cc1 ZINC001124553812 1095603349 /nfs/dbraw/zinc/60/33/49/1095603349.db2.gz WGXWOOBWINCUFK-UHFFFAOYSA-N 0 0 323.371 3.370 20 10 DGCDRN Cc1c(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)ccn1C ZINC001124549741 1095603713 /nfs/dbraw/zinc/60/37/13/1095603713.db2.gz OWCTWPQBBUUVME-UHFFFAOYSA-N 0 0 311.429 3.206 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)N(CC)C(C)C)CC2)cc1 ZINC001116598669 1095612503 /nfs/dbraw/zinc/61/25/03/1095612503.db2.gz QKGACAXOOXZZOM-UHFFFAOYSA-N 0 0 319.449 3.058 20 10 DGCDRN O=C(Cc1ccccc1F)Nc1c2nonc2ccc1Cl ZINC001339437949 1095624475 /nfs/dbraw/zinc/62/44/75/1095624475.db2.gz MNPWCKAWNNPAGH-UHFFFAOYSA-N 0 0 305.696 3.197 20 10 DGCDRN Oc1ccc(Br)cc1CNc1cnc(Cl)cn1 ZINC001171175482 1095645172 /nfs/dbraw/zinc/64/51/72/1095645172.db2.gz NJHNXBXJSKMMDT-UHFFFAOYSA-N 0 0 314.570 3.210 20 10 DGCDRN Oc1ccc(Br)cc1CNc1c[nH]cc2ncnc1-2 ZINC001171177990 1095647116 /nfs/dbraw/zinc/64/71/16/1095647116.db2.gz PNLMUIHFFRHXNH-UHFFFAOYSA-N 0 0 319.162 3.038 20 10 DGCDRN COc1cccc(CNC(=O)[C@@H](C)c2ccc(F)cc2F)c1O ZINC001339604190 1095671707 /nfs/dbraw/zinc/67/17/07/1095671707.db2.gz JRWZGOWXVJFMJV-JTQLQIEISA-N 0 0 321.323 3.099 20 10 DGCDRN Cc1cc(-c2nnc([C@H]3CCC(=O)N3)o2)c(C)n1-c1ccccc1 ZINC001117178839 1095724711 /nfs/dbraw/zinc/72/47/11/1095724711.db2.gz MLDKCLVOLYVYJP-OAHLLOKOSA-N 0 0 322.368 3.095 20 10 DGCDRN CCOC(=O)[C@]1(C)CCCC[N@H+](Cc2c([O-])cccc2F)C1 ZINC001137832761 1095756599 /nfs/dbraw/zinc/75/65/99/1095756599.db2.gz GXSJZRKZCWONGX-QGZVFWFLSA-N 0 0 309.381 3.087 20 10 DGCDRN [O-]c1cccc(F)c1C[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001137841839 1095762238 /nfs/dbraw/zinc/76/22/38/1095762238.db2.gz XFLGJJBNBAWMTL-HUUCEWRRSA-N 0 0 312.388 3.100 20 10 DGCDRN CC[NH+](CC)C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC001117759305 1095837564 /nfs/dbraw/zinc/83/75/64/1095837564.db2.gz NZGFLBPHLCZTHV-UHFFFAOYSA-N 0 0 314.832 3.491 20 10 DGCDRN [O-]c1c(F)cccc1C[N@@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC001138130826 1095900260 /nfs/dbraw/zinc/90/02/60/1095900260.db2.gz IRNQCLYKEMENAS-UHFFFAOYSA-N 0 0 318.367 3.383 20 10 DGCDRN Cc1ccc(O[C@@H](C)C(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001146232465 1096008806 /nfs/dbraw/zinc/00/88/06/1096008806.db2.gz LQETYFKMDJHDTH-LBPRGKRZSA-N 0 0 319.788 3.438 20 10 DGCDRN CS[C@@H]1CCC[C@@H](NC(=O)N[C@@H](C)c2ccccc2O)C1 ZINC001119146760 1096136557 /nfs/dbraw/zinc/13/65/57/1096136557.db2.gz XCWBKRXPHIUHJO-YNEHKIRRSA-N 0 0 308.447 3.427 20 10 DGCDRN CS[C@@H]1CCC[C@H](NC(=O)N[C@@H](C)c2ccccc2O)C1 ZINC001119146758 1096136850 /nfs/dbraw/zinc/13/68/50/1096136850.db2.gz XCWBKRXPHIUHJO-RWMBFGLXSA-N 0 0 308.447 3.427 20 10 DGCDRN C[C@H]1CC[C@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC001119326441 1096167724 /nfs/dbraw/zinc/16/77/24/1096167724.db2.gz NTZAWWRLXUAAMT-FZMZJTMJSA-N 0 0 315.442 3.235 20 10 DGCDRN CC(C)(C)c1ccc(C(=O)N2CCc3cccc(O)c3C2)cn1 ZINC001147806248 1096268668 /nfs/dbraw/zinc/26/86/68/1096268668.db2.gz VSFVWDGSRYXAIO-UHFFFAOYSA-N 0 0 310.397 3.283 20 10 DGCDRN O=C(Nc1cc(F)c(Cl)nc1Cl)c1cccc(O)c1O ZINC001148212529 1096327847 /nfs/dbraw/zinc/32/78/47/1096327847.db2.gz BTUMFLOQCNYERI-UHFFFAOYSA-N 0 0 317.103 3.191 20 10 DGCDRN Cc1ccc2[nH]cc(CN(C)C(=O)c3cccc(O)c3O)c2c1 ZINC001148218422 1096328404 /nfs/dbraw/zinc/32/84/04/1096328404.db2.gz CFFIFMLUXAOIAX-UHFFFAOYSA-N 0 0 310.353 3.160 20 10 DGCDRN O=C(N[C@@H](c1ccccc1F)C1CC1)c1cccc(O)c1O ZINC001148224275 1096329363 /nfs/dbraw/zinc/32/93/63/1096329363.db2.gz GKMCNLHSNGWIIO-OAHLLOKOSA-N 0 0 301.317 3.118 20 10 DGCDRN C[C@H](CC1CCC1)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC001225138915 1096352416 /nfs/dbraw/zinc/35/24/16/1096352416.db2.gz MPILMWPHDWEEMC-CQSZACIVSA-N 0 0 315.461 3.447 20 10 DGCDRN O=C(Nc1ccc(F)c2ccccc12)c1cc(O)c(O)c(O)c1 ZINC001148586391 1096407287 /nfs/dbraw/zinc/40/72/87/1096407287.db2.gz NAYKNJGFVNJDOD-UHFFFAOYSA-N 0 0 313.284 3.348 20 10 DGCDRN CCOc1ncc(F)c(NCc2cc3ccccc3cc2O)n1 ZINC001171399514 1096659505 /nfs/dbraw/zinc/65/95/05/1096659505.db2.gz ITJWODRZINUVQH-UHFFFAOYSA-N 0 0 313.332 3.485 20 10 DGCDRN Cn1ccc2nc(NCc3cc4ccccc4cc3O)cnc21 ZINC001171404649 1096674677 /nfs/dbraw/zinc/67/46/77/1096674677.db2.gz GTENJSAIINLRDN-UHFFFAOYSA-N 0 0 304.353 3.439 20 10 DGCDRN CCC[C@@H](Oc1c(O)c(O)c(O)c(O)c1O)c1ccccc1 ZINC001226467240 1096696998 /nfs/dbraw/zinc/69/69/98/1096696998.db2.gz GDZDTRDWDNNTPU-SNVBAGLBSA-N 0 0 306.314 3.135 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC001227426671 1096930181 /nfs/dbraw/zinc/93/01/81/1096930181.db2.gz PIOXXONEOUDEFJ-ZWKOTPCHSA-N 0 0 313.445 3.227 20 10 DGCDRN COC(=O)[C@@H](C)OC1=CC(=O)C=CC1=NNc1ccccn1 ZINC001227490737 1096940257 /nfs/dbraw/zinc/94/02/57/1096940257.db2.gz YQBJFSDYOQRMNC-KSADHVCASA-N 0 0 301.302 3.143 20 10 DGCDRN C[C@H](NC(=O)CCOc1cccc(F)c1)c1ccccc1O ZINC001171731100 1096956833 /nfs/dbraw/zinc/95/68/33/1096956833.db2.gz YEFACODHNVZQHN-LBPRGKRZSA-N 0 0 303.333 3.178 20 10 DGCDRN O=C(NCc1c(O)cccc1F)NC[C@@H]1CCc2ccccc21 ZINC001227679013 1096968265 /nfs/dbraw/zinc/96/82/65/1096968265.db2.gz LOSQMUWYRDYOFH-ZDUSSCGKSA-N 0 0 314.360 3.061 20 10 DGCDRN CN(C)c1ccc(O[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2F)cc1 ZINC001227940586 1097016931 /nfs/dbraw/zinc/01/69/31/1097016931.db2.gz MVWRUXLRQNUWQR-LSDHHAIUSA-N 0 0 324.396 3.089 20 10 DGCDRN Nc1ccc(N(CCO)c2ccc(C(F)(F)F)cc2O)cc1 ZINC001212632682 1097017420 /nfs/dbraw/zinc/01/74/20/1097017420.db2.gz QIOGGPKSFSHLRK-UHFFFAOYSA-N 0 0 312.291 3.124 20 10 DGCDRN O=C1c2ccccc2C(=O)c2c(OC[C@H]3CCCO3)cccc21 ZINC001228072568 1097045271 /nfs/dbraw/zinc/04/52/71/1097045271.db2.gz BMSJAYBGUMBCJJ-GFCCVEGCSA-N 0 0 308.333 3.020 20 10 DGCDRN C[C@@H]1C[C@H](Oc2cccc3c2C(=O)c2ccccc2C3=O)CCO1 ZINC001228080249 1097047760 /nfs/dbraw/zinc/04/77/60/1097047760.db2.gz SEZJYBVVOQYIPP-CHWSQXEVSA-N 0 0 322.360 3.408 20 10 DGCDRN CC(C)[C@H](C)Oc1c(O)c(O)ccc1C(=O)c1ccc(O)cc1 ZINC001228115209 1097054402 /nfs/dbraw/zinc/05/44/02/1097054402.db2.gz MNJFLGKGNVAMLQ-NSHDSACASA-N 0 0 316.353 3.458 20 10 DGCDRN CC(=O)N1CCN(c2ccc(O[C@@H]3CCCC[C@H]3C)cc2)CC1 ZINC001228204144 1097072523 /nfs/dbraw/zinc/07/25/23/1097072523.db2.gz HHVUUUMXLFWCDC-DNVCBOLYSA-N 0 0 316.445 3.313 20 10 DGCDRN CC(=O)N1CCN(c2ccc(O[C@@H]3CCCC[C@H]3F)cc2)CC1 ZINC001228200988 1097072760 /nfs/dbraw/zinc/07/27/60/1097072760.db2.gz KAODGCOMVPNVJV-QZTJIDSGSA-N 0 0 320.408 3.015 20 10 DGCDRN CC(=O)N1CCN(c2ccc(O[C@@H](C)c3ccccc3)cc2)CC1 ZINC001228206888 1097073668 /nfs/dbraw/zinc/07/36/68/1097073668.db2.gz ZQUHRFCAOUHGHY-INIZCTEOSA-N 0 0 324.424 3.495 20 10 DGCDRN Cc1ccc([C@H](C)CNC(=O)NCc2c(O)cccc2F)cc1 ZINC001228281997 1097088034 /nfs/dbraw/zinc/08/80/34/1097088034.db2.gz RIBAPZGWRFEFKT-CYBMUJFWSA-N 0 0 316.376 3.443 20 10 DGCDRN Cn1cc(Nc2ccc(CCc3ccc(N)cc3)cc2)ccc1=O ZINC001174357939 1097694530 /nfs/dbraw/zinc/69/45/30/1097694530.db2.gz ZVCDJHZALZVHAB-UHFFFAOYSA-N 0 0 319.408 3.496 20 10 DGCDRN Cn1cc(Nc2ccc(Cc3ccc(N)cc3)cc2)ccc1=O ZINC001174360369 1097695125 /nfs/dbraw/zinc/69/51/25/1097695125.db2.gz IPAXWDLTTITSGG-UHFFFAOYSA-N 0 0 305.381 3.302 20 10 DGCDRN C[N@H+](Cc1ccc(Cl)cc1)Cc1ccc(C(=O)[O-])cc1O ZINC001231452882 1097751536 /nfs/dbraw/zinc/75/15/36/1097751536.db2.gz WCPWCNFBIYTEOX-UHFFFAOYSA-N 0 0 305.761 3.376 20 10 DGCDRN O=C([O-])c1ccc(C[NH+]2CCC3(CC(F)(F)C3)CC2)c(O)c1 ZINC001231450527 1097752201 /nfs/dbraw/zinc/75/22/01/1097752201.db2.gz SQKHUHYLDNTCJN-UHFFFAOYSA-N 0 0 311.328 3.102 20 10 DGCDRN O=C([O-])c1ccc(C[N@H+]2CC=C(c3ccccc3)CC2)c(O)c1 ZINC001231456036 1097752780 /nfs/dbraw/zinc/75/27/80/1097752780.db2.gz ZWYFHJKIXLJBRO-UHFFFAOYSA-N 0 0 309.365 3.380 20 10 DGCDRN CC1(C)CCC2(CC[NH+](Cc3ccc(C(=O)[O-])cc3O)CC2)O1 ZINC001231453875 1097753913 /nfs/dbraw/zinc/75/39/13/1097753913.db2.gz LRHVCARBAMVHSO-UHFFFAOYSA-N 0 0 319.401 3.014 20 10 DGCDRN CCn1cc(Nc2ccc(C(=O)Oc3ccc(N)cc3)cc2)cn1 ZINC001174572709 1097764859 /nfs/dbraw/zinc/76/48/59/1097764859.db2.gz ZLRIGSBDRUNUPC-UHFFFAOYSA-N 0 0 322.368 3.448 20 10 DGCDRN COCCn1cc(N(Cc2ccccc2)c2ccc(N)cc2)cn1 ZINC001174552621 1097775922 /nfs/dbraw/zinc/77/59/22/1097775922.db2.gz RWUJQVHGGNKLRR-UHFFFAOYSA-N 0 0 322.412 3.450 20 10 DGCDRN COc1cc(CN(C)[C@H](C2CCC2)C(F)(F)F)c(O)cc1O ZINC001231638228 1097798143 /nfs/dbraw/zinc/79/81/43/1097798143.db2.gz WQWGMXRCPXMFFP-CQSZACIVSA-N 0 0 319.323 3.269 20 10 DGCDRN Cc1cc(C)c(CN2CC(Oc3ccc(F)cc3)C2)c(O)c1 ZINC001231847245 1097862844 /nfs/dbraw/zinc/86/28/44/1097862844.db2.gz VRFTXKLTMZAFBQ-UHFFFAOYSA-N 0 0 301.361 3.411 20 10 DGCDRN COc1cc(N(C)C)ccc1CN1Cc2nc(C)sc2C1 ZINC001231854600 1097865760 /nfs/dbraw/zinc/86/57/60/1097865760.db2.gz FZXYIMGDCTZWFW-UHFFFAOYSA-N 0 0 303.431 3.042 20 10 DGCDRN OC[C@@H]1CCC(F)(F)CN1Cc1ccc2ccccc2c1O ZINC001231879975 1097876879 /nfs/dbraw/zinc/87/68/79/1097876879.db2.gz YVQGXBNNXFPRSR-AWEZNQCLSA-N 0 0 307.340 3.137 20 10 DGCDRN CCN1C(=O)CCC12CC[NH+](Cc1cccc(Cl)c1[O-])CC2 ZINC001231910780 1097890295 /nfs/dbraw/zinc/89/02/95/1097890295.db2.gz WCXLVYISQXQETE-UHFFFAOYSA-N 0 0 322.836 3.023 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC(c2ncccn2)CC1 ZINC001231912690 1097890684 /nfs/dbraw/zinc/89/06/84/1097890684.db2.gz SIMUQIUDWMGCTE-UHFFFAOYSA-N 0 0 303.793 3.215 20 10 DGCDRN Cc1cc(C(=O)N2Cc3cccc(O)c3C2)nn1-c1ccccc1 ZINC001175029868 1097923609 /nfs/dbraw/zinc/92/36/09/1097923609.db2.gz LVECTDWSXXIDEY-UHFFFAOYSA-N 0 0 319.364 3.042 20 10 DGCDRN COc1ccc(SCC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC001175029559 1097924228 /nfs/dbraw/zinc/92/42/28/1097924228.db2.gz HTYBICNINUMTTF-UHFFFAOYSA-N 0 0 315.394 3.035 20 10 DGCDRN Oc1cc(O)c(CN2CC[C@H](CF)C(F)(F)C2)cc1Cl ZINC001232260994 1097985323 /nfs/dbraw/zinc/98/53/23/1097985323.db2.gz USGYGIWNMRTKJS-SECBINFHSA-N 0 0 309.715 3.178 20 10 DGCDRN COc1cc([O-])c(C[N@H+](CCCCCO)C(C)C)cc1Cl ZINC001232271241 1097987706 /nfs/dbraw/zinc/98/77/06/1097987706.db2.gz SRLGOPHMCFOKTH-UHFFFAOYSA-N 0 0 315.841 3.427 20 10 DGCDRN COc1cc(O)c(CN2CC(C)(C)OC(C)(C)C2)cc1Cl ZINC001232269154 1097988083 /nfs/dbraw/zinc/98/80/83/1097988083.db2.gz RZTFVWCJRULJLL-UHFFFAOYSA-N 0 0 313.825 3.444 20 10 DGCDRN COc1cc(O)c(CN2CCC[C@H]2c2nc(C)no2)cc1Cl ZINC001232269144 1097988460 /nfs/dbraw/zinc/98/84/60/1097988460.db2.gz RTTWVRLPAAQBQP-LBPRGKRZSA-N 0 0 323.780 3.083 20 10 DGCDRN CN(C)c1ccc(CN2CCCC[C@@H]2C(F)(F)F)c(O)c1 ZINC001232839990 1098149087 /nfs/dbraw/zinc/14/90/87/1098149087.db2.gz ZKUPHIASVSNKKH-CQSZACIVSA-N 0 0 302.340 3.375 20 10 DGCDRN Cc1ccn2cc(C[N@@H+](C)Cc3ccc(N(C)C)cc3O)nc2c1 ZINC001232841289 1098150497 /nfs/dbraw/zinc/15/04/97/1098150497.db2.gz BCYTXPDBILBNFQ-UHFFFAOYSA-N 0 0 324.428 3.046 20 10 DGCDRN CCN(Cc1cc(O)c(O)c(O)c1)Cc1cccc(F)c1F ZINC001233015197 1098203761 /nfs/dbraw/zinc/20/37/61/1098203761.db2.gz IHYIAAFGERLBPZ-UHFFFAOYSA-N 0 0 309.312 3.104 20 10 DGCDRN C[N@@H+]1CCN(Cc2ccc(F)c(F)c2[O-])[C@@H](c2ccccc2)C1 ZINC001233074726 1098219040 /nfs/dbraw/zinc/21/90/40/1098219040.db2.gz UXZLANRKOCLWMP-MRXNPFEDSA-N 0 0 318.367 3.159 20 10 DGCDRN COc1cccc2c1C[N@H+](Cc1ccc(F)c(F)c1[O-])CC2 ZINC001233073797 1098219805 /nfs/dbraw/zinc/21/98/05/1098219805.db2.gz CRCADZUPFVWHPJ-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN COc1cc(O)c(CN2CCC[C@@H](F)C2)cc1Br ZINC001233138461 1098235767 /nfs/dbraw/zinc/23/57/67/1098235767.db2.gz ABCYTNFZMVTXEE-SNVBAGLBSA-N 0 0 318.186 3.097 20 10 DGCDRN CCN(CC)C(=O)c1ccc(F)c(Nc2cccc(O)c2O)c1 ZINC001176069985 1098241495 /nfs/dbraw/zinc/24/14/95/1098241495.db2.gz TUEZKSBDHZBUOQ-UHFFFAOYSA-N 0 0 318.348 3.463 20 10 DGCDRN O=C1c2ccccc2C(=O)c2c(NC3=CCOCC3)cccc21 ZINC001176143620 1098257276 /nfs/dbraw/zinc/25/72/76/1098257276.db2.gz COBNMAUDWWATBO-UHFFFAOYSA-N 0 0 305.333 3.178 20 10 DGCDRN O=c1ccc(Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c[nH]1 ZINC001176128775 1098268422 /nfs/dbraw/zinc/26/84/22/1098268422.db2.gz IFCCNJDGGQOEFK-UHFFFAOYSA-N 0 0 316.316 3.306 20 10 DGCDRN COc1cc(Cl)cc(CN2CCC[C@H]2c2cnccn2)c1O ZINC001233289827 1098277928 /nfs/dbraw/zinc/27/79/28/1098277928.db2.gz QUSPDCPNTZYWON-AWEZNQCLSA-N 0 0 319.792 3.181 20 10 DGCDRN COc1ccc(N2CCN(Cc3cc(C)ns3)CC2)c(C)c1 ZINC001233313195 1098282055 /nfs/dbraw/zinc/28/20/55/1098282055.db2.gz JJWSNPWXUVBKEZ-UHFFFAOYSA-N 0 0 317.458 3.091 20 10 DGCDRN Cc1nc([C@@H]2CCCCN2Cc2c(O)ccc(F)c2F)no1 ZINC001233334338 1098291718 /nfs/dbraw/zinc/29/17/18/1098291718.db2.gz CCJPHEIRYPCXEF-LBPRGKRZSA-N 0 0 309.316 3.089 20 10 DGCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001233332436 1098291780 /nfs/dbraw/zinc/29/17/80/1098291780.db2.gz LEYYDLZDKZKHJZ-GFCCVEGCSA-N 0 0 313.241 3.394 20 10 DGCDRN [O-]c1ccc(F)c(F)c1C[NH+]1CCC(Oc2cccnc2)CC1 ZINC001233334817 1098292265 /nfs/dbraw/zinc/29/22/65/1098292265.db2.gz UYXRCTPMBUFHON-UHFFFAOYSA-N 0 0 320.339 3.109 20 10 DGCDRN COc1ccc2c(c1)CN(Cc1c(O)ccc(F)c1F)CC2 ZINC001233332169 1098292559 /nfs/dbraw/zinc/29/25/59/1098292559.db2.gz BBZUQZOQQIFKIC-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN Oc1ccc(F)c(F)c1CN1CCO[C@@H](Cc2ccccc2)C1 ZINC001233335860 1098293160 /nfs/dbraw/zinc/29/31/60/1098293160.db2.gz ORONGBSNHHRHMY-AWEZNQCLSA-N 0 0 319.351 3.114 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)cccc1C(F)(F)F ZINC001233416688 1098322383 /nfs/dbraw/zinc/32/23/83/1098322383.db2.gz RMTGKKCSBNKSGE-SMDDNHRTSA-N 0 0 315.335 3.412 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CC[C@@H]1O ZINC001233415607 1098322413 /nfs/dbraw/zinc/32/24/13/1098322413.db2.gz CGEWHDOSHOLAMX-MFKMUULPSA-N 0 0 303.324 3.004 20 10 DGCDRN O=C1CCC[C@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3[O-])C[C@@H]12 ZINC001233419640 1098324360 /nfs/dbraw/zinc/32/43/60/1098324360.db2.gz HHIGLGRWHPUSFM-CMPLNLGQSA-N 0 0 313.319 3.212 20 10 DGCDRN CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233419364 1098324656 /nfs/dbraw/zinc/32/46/56/1098324656.db2.gz VEHOITYMAIKTKX-LBPRGKRZSA-N 0 0 303.324 3.146 20 10 DGCDRN CC(=O)[C@H]1CCCCN1Cc1cccc(C(F)(F)F)c1O ZINC001233419009 1098325273 /nfs/dbraw/zinc/32/52/73/1098325273.db2.gz FUNJSTQXYCEBIB-CYBMUJFWSA-N 0 0 301.308 3.355 20 10 DGCDRN CC(=O)[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233418839 1098325739 /nfs/dbraw/zinc/32/57/39/1098325739.db2.gz YDKVXJIBTSKICA-NSHDSACASA-N 0 0 301.308 3.212 20 10 DGCDRN Oc1cc(O)c(CN2CCC[C@@H]2c2ccc(F)cc2F)cc1O ZINC001233486298 1098346787 /nfs/dbraw/zinc/34/67/87/1098346787.db2.gz HMNBSEGIAMRMJR-CQSZACIVSA-N 0 0 321.323 3.419 20 10 DGCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@H](CCC)C(=O)OCC ZINC001233497516 1098351950 /nfs/dbraw/zinc/35/19/50/1098351950.db2.gz OEOLPVIMWDSMSO-OAHLLOKOSA-N 0 0 324.373 3.191 20 10 DGCDRN CCOC(=O)[C@@H]1CC[C@@H](Oc2ccc3c(c2)CCN3CC)C1 ZINC001233601750 1098386468 /nfs/dbraw/zinc/38/64/68/1098386468.db2.gz MNIFDCBYOLAYBN-HUUCEWRRSA-N 0 0 303.402 3.180 20 10 DGCDRN CCOC(=O)[C@@H]1CCC[C@H]1Oc1ccc2c(c1)CCN2CC ZINC001233608230 1098388537 /nfs/dbraw/zinc/38/85/37/1098388537.db2.gz SKAYJPQYTDTRQO-NVXWUHKLSA-N 0 0 303.402 3.180 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1ccc(F)c(C(F)F)c1 ZINC001176576586 1098391246 /nfs/dbraw/zinc/39/12/46/1098391246.db2.gz OIABMRBQHWNBPH-UHFFFAOYSA-N 0 0 311.259 3.105 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1cc(Cl)ccc1Cl ZINC001176748326 1098418634 /nfs/dbraw/zinc/41/86/34/1098418634.db2.gz OXMJQGXETMSRKU-UHFFFAOYSA-N 0 0 312.152 3.335 20 10 DGCDRN C[C@H](Oc1nc[nH]c2cc(=O)c(O)cc1-2)c1ccccc1F ZINC001233950048 1098465854 /nfs/dbraw/zinc/46/58/54/1098465854.db2.gz RQVWEAWJBVTZRE-VIFPVBQESA-N 0 0 300.289 3.320 20 10 DGCDRN C[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])N1CCC[C@H](C)C1 ZINC001177262684 1098509101 /nfs/dbraw/zinc/50/91/01/1098509101.db2.gz XEWJEDAFFXUPMJ-RYUDHWBXSA-N 0 0 314.832 3.395 20 10 DGCDRN Cc1c[nH]c(C)c1CCC(=O)NCc1c(C)cc(C)cc1O ZINC001177592513 1098560535 /nfs/dbraw/zinc/56/05/35/1098560535.db2.gz DBGVYNIWKBEYNS-UHFFFAOYSA-N 0 0 300.402 3.203 20 10 DGCDRN COc1cccc([C@@H](C)Oc2cc(O)c(O)cc2C(C)=O)c1 ZINC001234473062 1098564305 /nfs/dbraw/zinc/56/43/05/1098564305.db2.gz AZPJTWPPHKFPKI-LLVKDONJSA-N 0 0 302.326 3.449 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1OC[C@H](C)OCc1ccccc1 ZINC001234476069 1098564568 /nfs/dbraw/zinc/56/45/68/1098564568.db2.gz KHRNTYXGZXSPHT-LBPRGKRZSA-N 0 0 316.353 3.285 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H](C)COc1cccc(C)c1 ZINC001234476725 1098566351 /nfs/dbraw/zinc/56/63/51/1098566351.db2.gz OQLUKTCRUGYTQK-LBPRGKRZSA-N 0 0 316.353 3.455 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H](C(C)=O)c1ccccc1 ZINC001234476889 1098566426 /nfs/dbraw/zinc/56/64/26/1098566426.db2.gz PMJLIWDBYBTNSC-KRWDZBQOSA-N 0 0 300.310 3.010 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@@H](O)[C@H](C)C3)c2c1 ZINC001234526141 1098580959 /nfs/dbraw/zinc/58/09/59/1098580959.db2.gz QTXZSIFCLSQFBZ-FZKQIMNGSA-N 0 0 315.413 3.147 20 10 DGCDRN COc1ccc2ccc(O)c(CN3CCCC(=O)[C@@H](F)C3)c2c1 ZINC001234525262 1098581492 /nfs/dbraw/zinc/58/14/92/1098581492.db2.gz DBVMXOSSVMUFBN-INIZCTEOSA-N 0 0 317.360 3.057 20 10 DGCDRN O=C(Cc1ccccc1-c1cccnc1)NCc1ccccc1O ZINC001177978548 1098681348 /nfs/dbraw/zinc/68/13/48/1098681348.db2.gz RHRHMFWBMQYJTI-UHFFFAOYSA-N 0 0 318.376 3.313 20 10 DGCDRN Cc1ccc(NCc2cc(F)cc(F)c2O)cc1C(=O)N(C)C ZINC001178072418 1098711051 /nfs/dbraw/zinc/71/10/51/1098711051.db2.gz DUHVUIATBNXWJA-UHFFFAOYSA-N 0 0 320.339 3.293 20 10 DGCDRN C[C@]1(CF)CC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC001235056973 1098778089 /nfs/dbraw/zinc/77/80/89/1098778089.db2.gz KTNGYRMZIODYRY-CYBMUJFWSA-N 0 0 320.177 3.475 20 10 DGCDRN CC[C@H](C)[C@H](NCc1ccc2c(c1)CCO2)C(=O)OC(C)(C)C ZINC001178316862 1098793945 /nfs/dbraw/zinc/79/39/45/1098793945.db2.gz CDNQTHLFOBDFEL-GUYCJALGSA-N 0 0 319.445 3.468 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1coc(C2CCCCC2)n1 ZINC001178412609 1098827456 /nfs/dbraw/zinc/82/74/56/1098827456.db2.gz BLTYRBVHKLJQLZ-UHFFFAOYSA-N 0 0 318.348 3.497 20 10 DGCDRN CSc1cccc(F)c1C(=O)NCc1c(O)cccc1F ZINC001178413691 1098828415 /nfs/dbraw/zinc/82/84/15/1098828415.db2.gz WJVXDWNLCRDFKW-UHFFFAOYSA-N 0 0 309.337 3.322 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@H]1CSc2ccccc21 ZINC001178412886 1098828903 /nfs/dbraw/zinc/82/89/03/1098828903.db2.gz JHYHBZLYGNHMIO-LBPRGKRZSA-N 0 0 303.358 3.037 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1cncc(-c2ccccc2)c1 ZINC001178912317 1098968789 /nfs/dbraw/zinc/96/87/89/1098968789.db2.gz RWACZZDACWKFLD-UHFFFAOYSA-N 0 0 320.348 3.090 20 10 DGCDRN Cc1cnccc1CC(=O)NCc1c(O)ccc2ccccc21 ZINC001179032511 1099005991 /nfs/dbraw/zinc/00/59/91/1099005991.db2.gz JPVGNAYWQPWGJU-UHFFFAOYSA-N 0 0 306.365 3.108 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)[C@@H]1CCCc2n[nH]cc21 ZINC001179032584 1099007175 /nfs/dbraw/zinc/00/71/75/1099007175.db2.gz MNDGBJCMAFHJJD-CQSZACIVSA-N 0 0 321.380 3.005 20 10 DGCDRN O=C1NCCc2cc(NCc3cc(Cl)cc(F)c3O)ccc21 ZINC001179135268 1099024438 /nfs/dbraw/zinc/02/44/38/1099024438.db2.gz LLORDUZCJHGWIF-UHFFFAOYSA-N 0 0 320.751 3.083 20 10 DGCDRN CC(C)(C)c1ccc(CN2CC([NH+]3CCCCC3)C2)c(O)c1 ZINC001235677514 1099120430 /nfs/dbraw/zinc/12/04/30/1099120430.db2.gz FISSQBGRMIZHIC-UHFFFAOYSA-N 0 0 302.462 3.360 20 10 DGCDRN C[C@@H]1Cc2cc(NC(=O)c3ccc(N=NC(N)=O)cc3)ccc2O1 ZINC001179509611 1099128548 /nfs/dbraw/zinc/12/85/48/1099128548.db2.gz GMOJIRQBFCJAKB-SNVBAGLBSA-N 0 0 324.340 3.425 20 10 DGCDRN CC[C@@H](NC(=O)/C=C/c1ccc(N(C)C)cc1)C(F)(F)F ZINC001180130255 1099309140 /nfs/dbraw/zinc/30/91/40/1099309140.db2.gz FFNCVKRFBXRHBY-UTSBKAFOSA-N 0 0 300.324 3.223 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)N[C@H]2CCCc3cnccc32)cc1 ZINC001180130491 1099309864 /nfs/dbraw/zinc/30/98/64/1099309864.db2.gz QTCDJMOUTMOUOL-BLRBJFNZSA-N 0 0 321.424 3.355 20 10 DGCDRN CN(C)c1ccc(C=CC(=O)Nc2cc(Cl)[nH]c(=O)c2)cc1 ZINC001180123073 1099321888 /nfs/dbraw/zinc/32/18/88/1099321888.db2.gz MREOKPZUIZEFBM-VMPITWQZSA-N 0 0 317.776 3.159 20 10 DGCDRN O=C([C@@H](F)c1ccccc1)N1CCCc2cc(O)c(O)cc2C1 ZINC001180146607 1099330556 /nfs/dbraw/zinc/33/05/56/1099330556.db2.gz ALKQIEMUHMWHHI-KRWDZBQOSA-N 0 0 315.344 3.083 20 10 DGCDRN COc1ccc(CC(=O)NCc2cccc(Cl)c2O)c(C)c1 ZINC001180420803 1099415908 /nfs/dbraw/zinc/41/59/08/1099415908.db2.gz PCOBONHASJGXER-UHFFFAOYSA-N 0 0 319.788 3.222 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1c(F)ccnc1Cl ZINC001180419624 1099415935 /nfs/dbraw/zinc/41/59/35/1099415935.db2.gz BKYPWYHOYSIIDR-UHFFFAOYSA-N 0 0 315.131 3.163 20 10 DGCDRN CCc1cccc(CNc2ccc(-c3ncn(C)n3)cc2)c1O ZINC001180708048 1099496114 /nfs/dbraw/zinc/49/61/14/1099496114.db2.gz PRFYYTGIJAPIIX-UHFFFAOYSA-N 0 0 308.385 3.362 20 10 DGCDRN O=C(c1ccccc1)c1ccccc1NS(=O)(=O)C1CCC1 ZINC001188129936 1099691766 /nfs/dbraw/zinc/69/17/66/1099691766.db2.gz AUMAHESGLQYGRO-UHFFFAOYSA-N 0 0 315.394 3.212 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)Nc1cccc(Cl)c1F ZINC001188425220 1099759656 /nfs/dbraw/zinc/75/96/56/1099759656.db2.gz VOZSJRUXJIFWJC-UHFFFAOYSA-N 0 0 310.712 3.212 20 10 DGCDRN CCc1ccc(C[N@H+](C)CCc2noc(C(C)C)n2)c(O)c1 ZINC001236782405 1099781255 /nfs/dbraw/zinc/78/12/55/1099781255.db2.gz AZSIBZZSLYQZAG-UHFFFAOYSA-N 0 0 303.406 3.136 20 10 DGCDRN [O-]c1cc(Cl)c(Cl)cc1C[N@H+]1CCC[C@@](F)(CO)CC1 ZINC001236793400 1099788068 /nfs/dbraw/zinc/78/80/68/1099788068.db2.gz KLOLJZJAVKXIGG-AWEZNQCLSA-N 0 0 322.207 3.386 20 10 DGCDRN CC[N@H+](CCCC(=O)OC)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236794924 1099789589 /nfs/dbraw/zinc/78/95/89/1099789589.db2.gz WUQQFYUVNAUQFX-UHFFFAOYSA-N 0 0 320.216 3.474 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])CCC[C@H]1O ZINC001236794972 1099790126 /nfs/dbraw/zinc/79/01/26/1099790126.db2.gz YPIWLPXCKKNTPU-NOZJJQNGSA-N 0 0 304.217 3.292 20 10 DGCDRN COc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c([O-])c1Cl ZINC001236802242 1099795702 /nfs/dbraw/zinc/79/57/02/1099795702.db2.gz PZUHXKNAYVITPP-WCFLWFBJSA-N 0 0 311.809 3.054 20 10 DGCDRN COc1ccc(C[N@@H+]2CCC[C@H]2c2cnccn2)c([O-])c1Cl ZINC001236805597 1099799230 /nfs/dbraw/zinc/79/92/30/1099799230.db2.gz AOXLHKZCLMJVPP-ZDUSSCGKSA-N 0 0 319.792 3.181 20 10 DGCDRN COc1ccc(CN2CCC[C@H]2c2ncccn2)c([O-])c1Cl ZINC001236819170 1099805973 /nfs/dbraw/zinc/80/59/73/1099805973.db2.gz VDPPZYYFAVQZNP-LBPRGKRZSA-N 0 0 319.792 3.181 20 10 DGCDRN CC1(C)CC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236927309 1099879167 /nfs/dbraw/zinc/87/91/67/1099879167.db2.gz OGXPHVFRNSZAKO-UHFFFAOYSA-N 0 0 308.853 3.409 20 10 DGCDRN CC(C)(C)c1ccc(C[N@@H+]2CCN[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001236994643 1099914299 /nfs/dbraw/zinc/91/42/99/1099914299.db2.gz FFABXRWWFLYTNB-CQSZACIVSA-N 0 0 316.367 3.026 20 10 DGCDRN CC(C)c1ccc(CN2CCO[C@@H](c3ccccn3)C2)c(O)c1 ZINC001237049729 1099943923 /nfs/dbraw/zinc/94/39/23/1099943923.db2.gz SASCSHCGFIZKIK-LJQANCHMSA-N 0 0 312.413 3.484 20 10 DGCDRN CO[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2O)[C@H](C)C1 ZINC001237139704 1099990180 /nfs/dbraw/zinc/99/01/80/1099990180.db2.gz BWWGQEBWTSQEQT-ZWNOBZJWSA-N 0 0 303.324 3.410 20 10 DGCDRN CC(=O)[C@@H]1CCCCN1Cc1cc(C(F)(F)F)ccc1O ZINC001237139030 1099990592 /nfs/dbraw/zinc/99/05/92/1099990592.db2.gz BMVUSGDUVFSNAX-ZDUSSCGKSA-N 0 0 301.308 3.355 20 10 DGCDRN CC[C@H]1CO[C@@H](C)CN1Cc1ccc(Br)cc1O ZINC000691680196 1100026494 /nfs/dbraw/zinc/02/64/94/1100026494.db2.gz UDOBWZRUXYYTMU-GWCFXTLKSA-N 0 0 314.223 3.154 20 10 DGCDRN CC[C@H]1CO[C@H](C)CN1Cc1ccc(Br)cc1O ZINC000691680199 1100027718 /nfs/dbraw/zinc/02/77/18/1100027718.db2.gz UDOBWZRUXYYTMU-MFKMUULPSA-N 0 0 314.223 3.154 20 10 DGCDRN CC[C@@H]1CO[C@H](C)CN1Cc1ccc(Br)cc1O ZINC000691680202 1100029837 /nfs/dbraw/zinc/02/98/37/1100029837.db2.gz UDOBWZRUXYYTMU-ZWNOBZJWSA-N 0 0 314.223 3.154 20 10 DGCDRN CCN(CC[NH+](CC)CC)Cc1cc(Cl)cc(F)c1[O-] ZINC001237619648 1100189220 /nfs/dbraw/zinc/18/92/20/1100189220.db2.gz BAHMGOMVWJVYSQ-UHFFFAOYSA-N 0 0 302.821 3.348 20 10 DGCDRN CCCC[NH+]1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001237619974 1100189796 /nfs/dbraw/zinc/18/97/96/1100189796.db2.gz HBASTAZGYXWFRS-UHFFFAOYSA-N 0 0 300.805 3.102 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC2(C[C@@H](F)CO2)CC1 ZINC001237621607 1100191729 /nfs/dbraw/zinc/19/17/29/1100191729.db2.gz CWSIAYVBHGEMBP-GFCCVEGCSA-N 0 0 317.763 3.278 20 10 DGCDRN Cc1cc(O)c(CN2C[C@@H](F)C[C@H]2C)cc1Br ZINC001237676090 1100210020 /nfs/dbraw/zinc/21/00/20/1100210020.db2.gz DZZAKYUCROIUHS-KOLCDFICSA-N 0 0 302.187 3.395 20 10 DGCDRN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@](F)(CO)CC2)c1O ZINC001237681246 1100211628 /nfs/dbraw/zinc/21/16/28/1100211628.db2.gz MBKIIIPZLDSLSW-OAHLLOKOSA-N 0 0 301.789 3.041 20 10 DGCDRN Cc1cc(O)c(C[N@@H+]2CCCO[C@@H](C)C2)cc1Br ZINC001237678082 1100211701 /nfs/dbraw/zinc/21/17/01/1100211701.db2.gz RWBPOWLMBKLWKS-NSHDSACASA-N 0 0 314.223 3.074 20 10 DGCDRN CCC[N@H+](CC)Cc1cccc(I)c1[O-] ZINC001237782754 1100246142 /nfs/dbraw/zinc/24/61/42/1100246142.db2.gz GYBMMRRJODSWDA-UHFFFAOYSA-N 0 0 319.186 3.229 20 10 DGCDRN CC[N@H+](Cc1cc(F)cc(Cl)c1[O-])C1CCN(C)CC1 ZINC001237815367 1100255402 /nfs/dbraw/zinc/25/54/02/1100255402.db2.gz XIJYBPJUAXGLMI-UHFFFAOYSA-N 0 0 300.805 3.101 20 10 DGCDRN OCc1ccc2c(c1)CCN(Cc1cc(F)c(Cl)cc1O)C2 ZINC001237934632 1100297425 /nfs/dbraw/zinc/29/74/25/1100297425.db2.gz LTTJHJOKGSPCRZ-UHFFFAOYSA-N 0 0 321.779 3.235 20 10 DGCDRN CCOCC1CC[NH+](Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237949330 1100301953 /nfs/dbraw/zinc/30/19/53/1100301953.db2.gz JXWGWTMPZVFTIZ-UHFFFAOYSA-N 0 0 301.789 3.433 20 10 DGCDRN Cc1cc(F)cc(C[NH+]2CCC(Oc3ccncc3)CC2)c1O ZINC001238059196 1100345625 /nfs/dbraw/zinc/34/56/25/1100345625.db2.gz AYDJKRFNYLQSKF-UHFFFAOYSA-N 0 0 316.376 3.278 20 10 DGCDRN Cc1cc(F)cc(CN2CCc3cnc(C4CC4)nc3C2)c1O ZINC001238065734 1100349197 /nfs/dbraw/zinc/34/91/97/1100349197.db2.gz DPMAUMRJERYGHS-UHFFFAOYSA-N 0 0 313.376 3.065 20 10 DGCDRN CN(C)c1ccc(N=Nc2cccc(C(=O)N3CC(=O)C3)c2)cc1 ZINC001190975996 1100374986 /nfs/dbraw/zinc/37/49/86/1100374986.db2.gz AUOSKMPGDWKZGZ-UHFFFAOYSA-N 0 0 322.368 3.193 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)Nc1ccccn1 ZINC001191316826 1100450727 /nfs/dbraw/zinc/45/07/27/1100450727.db2.gz IXIQCMMFEXNTEA-UHFFFAOYSA-N 0 0 310.401 3.346 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)OCc1cccc(Cl)c1 ZINC001191530912 1100479665 /nfs/dbraw/zinc/47/96/65/1100479665.db2.gz POZNXYXGLQDKLE-UHFFFAOYSA-N 0 0 307.733 3.178 20 10 DGCDRN CNc1ccc(-c2cc(N3CCc4ccccc43)ncn2)c(F)n1 ZINC001239411710 1100654732 /nfs/dbraw/zinc/65/47/32/1100654732.db2.gz UMXSJMRCKHPKGK-UHFFFAOYSA-N 0 0 321.359 3.414 20 10 DGCDRN COc1cc(C(=O)N2CCC[C@H]2C2CCCCC2)cc(O)c1O ZINC001193097231 1100709757 /nfs/dbraw/zinc/70/97/57/1100709757.db2.gz GQQJYTWCZMXQIR-AWEZNQCLSA-N 0 0 319.401 3.291 20 10 DGCDRN O=C(Nc1cc(C(F)(F)F)no1)c1ccc(O)c(O)c1Cl ZINC001193208995 1100717657 /nfs/dbraw/zinc/71/76/57/1100717657.db2.gz DREIRPARBDKYTH-UHFFFAOYSA-N 0 0 322.626 3.010 20 10 DGCDRN Cn1c(NC(=O)c2ccc(O)c(O)c2Cl)cc2ccccc21 ZINC001193220883 1100718631 /nfs/dbraw/zinc/71/86/31/1100718631.db2.gz ZHPUPQTXVSODRI-UHFFFAOYSA-N 0 0 316.744 3.495 20 10 DGCDRN CC(=O)c1ccc(NC(=O)c2ccc(O)c(O)c2Cl)c(F)c1 ZINC001193229310 1100722171 /nfs/dbraw/zinc/72/21/71/1100722171.db2.gz HYMNWLACJZXKSB-UHFFFAOYSA-N 0 0 323.707 3.345 20 10 DGCDRN CN(CCc1cccs1)C(=O)c1ccc(O)c(O)c1Cl ZINC001193225184 1100722768 /nfs/dbraw/zinc/72/27/68/1100722768.db2.gz IZXUOKRYQAWQDA-UHFFFAOYSA-N 0 0 311.790 3.127 20 10 DGCDRN COc1ccc(N2CCN(C(=O)OC3CCCC3)CC2)c(C)c1 ZINC001193554113 1100769979 /nfs/dbraw/zinc/76/99/79/1100769979.db2.gz HVNVICQPUPJZTG-UHFFFAOYSA-N 0 0 318.417 3.205 20 10 DGCDRN CCN(c1ccccc1)c1cc(-c2cnc(OC)nc2)ncn1 ZINC001239846240 1100774178 /nfs/dbraw/zinc/77/41/78/1100774178.db2.gz UROPPLLPDJKOGH-UHFFFAOYSA-N 0 0 307.357 3.100 20 10 DGCDRN Cc1ccc(C(=O)n2c(=N)ccc(/N=N/c3ccccc3)c2N)[nH]1 ZINC001193900846 1100838767 /nfs/dbraw/zinc/83/87/67/1100838767.db2.gz ZOHVMOSOXHRQNX-XSRZAUOLSA-N 0 0 320.356 3.290 20 10 DGCDRN CCCOC(=O)N1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001194109465 1100867432 /nfs/dbraw/zinc/86/74/32/1100867432.db2.gz MARYMWNOANZQSM-UHFFFAOYSA-N 0 0 302.374 3.092 20 10 DGCDRN CCCn1cc(-c2ccn(Cc3ccc(F)cc3)c(=O)c2)cn1 ZINC001240133578 1100875532 /nfs/dbraw/zinc/87/55/32/1100875532.db2.gz PXSLAZVZRPNQHC-UHFFFAOYSA-N 0 0 311.360 3.309 20 10 DGCDRN CCCCCCOC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001194192146 1100890220 /nfs/dbraw/zinc/89/02/20/1100890220.db2.gz NHFVCJDNTNIINN-UHFFFAOYSA-N 0 0 320.433 3.330 20 10 DGCDRN COC(=O)c1cc2ccc(-c3ccc4nccn4c3)cc2n1C ZINC001240219144 1100899650 /nfs/dbraw/zinc/89/96/50/1100899650.db2.gz CABWTSDNNGKGDF-UHFFFAOYSA-N 0 0 305.337 3.280 20 10 DGCDRN Cc1nn(C)cc1-c1nnc(C)cc1-c1nc2ccccc2n1C ZINC001240301383 1100931563 /nfs/dbraw/zinc/93/15/63/1100931563.db2.gz OHJYDUHOFKKOLW-UHFFFAOYSA-N 0 0 318.384 3.048 20 10 DGCDRN Cc1cccc(C)c1S(=O)(=O)Nc1c(C)cc(O)cc1C ZINC001194642992 1100980325 /nfs/dbraw/zinc/98/03/25/1100980325.db2.gz GSDVGVRTPSWCIZ-UHFFFAOYSA-N 0 0 305.399 3.427 20 10 DGCDRN CC(C)CCn1cc(-c2ccn(Cc3cccnc3)c(=O)c2)cn1 ZINC001240420889 1100989277 /nfs/dbraw/zinc/98/92/77/1100989277.db2.gz GQMTYLQTUTYJHQ-UHFFFAOYSA-N 0 0 322.412 3.201 20 10 DGCDRN CC(C)CCn1cc(-c2ccn(CC(F)(F)F)c(=O)c2)cn1 ZINC001240420990 1100989840 /nfs/dbraw/zinc/98/98/40/1100989840.db2.gz LZBBWNACGWTGEU-UHFFFAOYSA-N 0 0 313.323 3.320 20 10 DGCDRN Cc1c(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)ncn1C ZINC001194859658 1101024087 /nfs/dbraw/zinc/02/40/87/1101024087.db2.gz JLYKNUDOSUEDMI-UHFFFAOYSA-N 0 0 320.396 3.158 20 10 DGCDRN Cn1ccc2ccc(-c3cnc(C(=O)OCC4CC4)cn3)cc21 ZINC001240573489 1101055966 /nfs/dbraw/zinc/05/59/66/1101055966.db2.gz DLXQKAVXSUBKIE-UHFFFAOYSA-N 0 0 307.353 3.202 20 10 DGCDRN CCn1cc(-c2nnc(C)cc2-c2nc3ccccc3n2C)cn1 ZINC001240649150 1101082643 /nfs/dbraw/zinc/08/26/43/1101082643.db2.gz FXNLUFSDSINMQK-UHFFFAOYSA-N 0 0 318.384 3.222 20 10 DGCDRN CC[C@H](C)OC(=O)N1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001195104885 1101083082 /nfs/dbraw/zinc/08/30/82/1101083082.db2.gz NYOWZBQAJJBVLY-LBPRGKRZSA-N 0 0 316.401 3.480 20 10 DGCDRN CCN(Cc1ccccc1O)C(=S)NCc1ccccc1 ZINC001195618166 1101163309 /nfs/dbraw/zinc/16/33/09/1101163309.db2.gz HIZKTTWVWUTOCF-UHFFFAOYSA-N 0 0 300.427 3.289 20 10 DGCDRN Cn1ccc(-c2ccc(F)cc2NC(=O)C(C)(C)C)cc1=O ZINC001240991736 1101212037 /nfs/dbraw/zinc/21/20/37/1101212037.db2.gz UGSKDSNRJOTXPO-UHFFFAOYSA-N 0 0 302.349 3.176 20 10 DGCDRN Cc1ccc(F)c(CNC(=S)Nc2ccc(F)cc2C)n1 ZINC001196143496 1101256283 /nfs/dbraw/zinc/25/62/83/1101256283.db2.gz SHTJFEJBDBYNPR-UHFFFAOYSA-N 0 0 307.369 3.463 20 10 DGCDRN COc1ccccc1NC(=S)NCc1ncccc1Cl ZINC001196270570 1101275088 /nfs/dbraw/zinc/27/50/88/1101275088.db2.gz WWBZASPDDUISTH-UHFFFAOYSA-N 0 0 307.806 3.230 20 10 DGCDRN Cc1cccc(NC(=S)NCc2ccc(O)c(O)c2)c1C ZINC001196439491 1101302316 /nfs/dbraw/zinc/30/23/16/1101302316.db2.gz MLSIKZATBIHVTO-UHFFFAOYSA-N 0 0 302.399 3.201 20 10 DGCDRN CC(=O)c1ccc(NC(=S)NCc2cc(Cl)ccn2)cc1 ZINC001196523661 1101328680 /nfs/dbraw/zinc/32/86/80/1101328680.db2.gz ZUHDRWRHKYJAMB-UHFFFAOYSA-N 0 0 319.817 3.424 20 10 DGCDRN CON(C)C(=O)c1cncc(C2=CCN(c3ccccc3)CC2)c1 ZINC001241351661 1101396576 /nfs/dbraw/zinc/39/65/76/1101396576.db2.gz AXYDTJROCJEUDH-UHFFFAOYSA-N 0 0 323.396 3.009 20 10 DGCDRN COC(=O)c1ccc(C2=CCN(c3ccccc3)CC2)c(C)n1 ZINC001241354992 1101398494 /nfs/dbraw/zinc/39/84/94/1101398494.db2.gz JJCSBMZDTWEHJI-UHFFFAOYSA-N 0 0 308.381 3.470 20 10 DGCDRN CCOc1ccc(N(Cc2nn(CC)nc2C)CC2CC2)cc1 ZINC001196952937 1101441850 /nfs/dbraw/zinc/44/18/50/1101441850.db2.gz NINBKDHBKQYWJF-UHFFFAOYSA-N 0 0 314.433 3.422 20 10 DGCDRN c1[nH]nc2ncc(-c3cc(N4CCc5ccccc54)ncn3)cc12 ZINC001241422876 1101447227 /nfs/dbraw/zinc/44/72/27/1101447227.db2.gz CRVRVSIPBMWLFX-UHFFFAOYSA-N 0 0 314.352 3.109 20 10 DGCDRN C[C@@H](NCc1nc(-c2ccccc2F)no1)c1ccccc1O ZINC001197003010 1101453802 /nfs/dbraw/zinc/45/38/02/1101453802.db2.gz FPWPOOXMYXZAAB-LLVKDONJSA-N 0 0 313.332 3.432 20 10 DGCDRN CCOc1ncc(-c2cc(N(CC)c3ccccc3)ncn2)cn1 ZINC001241549772 1101543325 /nfs/dbraw/zinc/54/33/25/1101543325.db2.gz KCOBHGKIQMCVDD-UHFFFAOYSA-N 0 0 321.384 3.490 20 10 DGCDRN CCOc1ccc(-c2ccn(Cc3ccccc3)c(=O)c2)cn1 ZINC001241706839 1101650088 /nfs/dbraw/zinc/65/00/88/1101650088.db2.gz ZMQCCBXHNFJIJC-UHFFFAOYSA-N 0 0 306.365 3.357 20 10 DGCDRN Cn1cccc1CNC(=S)Nc1ccccc1Br ZINC001197792355 1101666179 /nfs/dbraw/zinc/66/61/79/1101666179.db2.gz SIPUDDDMGRPADH-UHFFFAOYSA-N 0 0 324.247 3.274 20 10 DGCDRN Cn1ccc2c1cccc2-c1ccc(C(=O)N2CCCC2)nc1 ZINC001241824750 1101730555 /nfs/dbraw/zinc/73/05/55/1101730555.db2.gz WUZAFTHLHKYQAH-UHFFFAOYSA-N 0 0 305.381 3.476 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cncn1C(C)C ZINC001198108817 1101764414 /nfs/dbraw/zinc/76/44/14/1101764414.db2.gz BIEYKYCHIIQWBS-UHFFFAOYSA-N 0 0 314.433 3.192 20 10 DGCDRN Cc1cc(N)ncc1-c1ncnc2c1ccn2Cc1ccccc1 ZINC001242073151 1101893201 /nfs/dbraw/zinc/89/32/01/1101893201.db2.gz ZHYGYFJDAODFSG-UHFFFAOYSA-N 0 0 315.380 3.432 20 10 DGCDRN CN(C)c1ccccc1-c1ccn(Cc2ccncc2)c(=O)c1 ZINC001242193850 1101969202 /nfs/dbraw/zinc/96/92/02/1101969202.db2.gz AIVCMWBZQXSNAI-UHFFFAOYSA-N 0 0 305.381 3.025 20 10 DGCDRN CCOC(=O)Cn1ccc2c1ncnc2-c1cccc2cc[nH]c21 ZINC001242360669 1102077435 /nfs/dbraw/zinc/07/74/35/1102077435.db2.gz RDMCDHUVSDEWBH-UHFFFAOYSA-N 0 0 320.352 3.143 20 10 DGCDRN CC(=O)c1ccc(-c2ccn(Cc3ccc(F)cc3)c(=O)c2)cn1 ZINC001242403619 1102108182 /nfs/dbraw/zinc/10/81/82/1102108182.db2.gz HUSJSCOVOFNYNV-UHFFFAOYSA-N 0 0 322.339 3.300 20 10 DGCDRN O=C(NCc1cc(Cl)c2cccnc2c1O)C1=CC=CC1 ZINC001199695300 1102198750 /nfs/dbraw/zinc/19/87/50/1102198750.db2.gz JUBRSCBFJYHXJL-UHFFFAOYSA-N 0 0 300.745 3.096 20 10 DGCDRN Oc1cccc2c1CN(C(=S)NCC1CCCCC1)CC2 ZINC001199924528 1102248874 /nfs/dbraw/zinc/24/88/74/1102248874.db2.gz IPNGFBVSGWGZRZ-UHFFFAOYSA-N 0 0 304.459 3.205 20 10 DGCDRN O=c1cc(-c2cccnc2OC(F)F)ccn1CC(F)(F)F ZINC001242630774 1102253173 /nfs/dbraw/zinc/25/31/73/1102253173.db2.gz BAWLEROMNQIMMY-UHFFFAOYSA-N 0 0 320.217 3.074 20 10 DGCDRN Cn1c(=O)cc(-c2cnc(C(F)(F)F)nc2)c2ccccc21 ZINC001242664182 1102273467 /nfs/dbraw/zinc/27/34/67/1102273467.db2.gz QZDKDDKYGYAFNB-UHFFFAOYSA-N 0 0 305.259 3.014 20 10 DGCDRN COc1ccc(-c2ccn(Cc3ccccc3F)c(=O)c2)c(C)n1 ZINC001242928682 1102421187 /nfs/dbraw/zinc/42/11/87/1102421187.db2.gz DSCCCPZCZRLNHC-UHFFFAOYSA-N 0 0 324.355 3.415 20 10 DGCDRN CC(C)(C)NC(=S)NCc1cc(Cl)c2cccnc2c1O ZINC001200915943 1102435563 /nfs/dbraw/zinc/43/55/63/1102435563.db2.gz RAKHFYNTRXGWNI-UHFFFAOYSA-N 0 0 323.849 3.356 20 10 DGCDRN COCc1cncc(-c2ccc3cc(C(=O)OC)n(C)c3c2)c1 ZINC001242955129 1102438234 /nfs/dbraw/zinc/43/82/34/1102438234.db2.gz ICLOYBARPDXNCT-UHFFFAOYSA-N 0 0 310.353 3.173 20 10 DGCDRN OCc1cncc(-c2ncnc3c2ccn3Cc2ccccc2)c1 ZINC001242968892 1102447540 /nfs/dbraw/zinc/44/75/40/1102447540.db2.gz QQVSTNGFCIVKQY-UHFFFAOYSA-N 0 0 316.364 3.034 20 10 DGCDRN CN(C)C(=O)c1cccc(NCc2ccc(N(C)C)c(F)c2)c1 ZINC001201133521 1102495528 /nfs/dbraw/zinc/49/55/28/1102495528.db2.gz OSOJDRCRQXZWIJ-UHFFFAOYSA-N 0 0 315.392 3.206 20 10 DGCDRN Cc1c(C)n(Cc2ccco2)c2ncnc(-c3cncn3C)c12 ZINC001243067651 1102506953 /nfs/dbraw/zinc/50/69/53/1102506953.db2.gz NJUZNAQBTZLURE-UHFFFAOYSA-N 0 0 307.357 3.090 20 10 DGCDRN CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1(C)C ZINC001201657077 1102687753 /nfs/dbraw/zinc/68/77/53/1102687753.db2.gz URLFXIFNVFOHOA-ULCPSODYSA-N 0 0 301.789 3.334 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)Nc1ccnc(Cl)c1 ZINC001202229364 1102882562 /nfs/dbraw/zinc/88/25/62/1102882562.db2.gz HULOGDQFPRKUGR-UHFFFAOYSA-N 0 0 312.156 3.416 20 10 DGCDRN Cc1cc(C(=O)Nc2c3nonc3ccc2Cl)nn1C(C)C ZINC001325786614 1103125105 /nfs/dbraw/zinc/12/51/05/1103125105.db2.gz IWWPDGYFGFYNBF-UHFFFAOYSA-N 0 0 319.752 3.214 20 10 DGCDRN CN1CCCc2cc(CNC(=O)[C@H]3CCC[C@H](F)C3)ccc21 ZINC001325880210 1103147053 /nfs/dbraw/zinc/14/70/53/1103147053.db2.gz STLSUWCTJUTRNJ-HOTGVXAUSA-N 0 0 304.409 3.214 20 10 DGCDRN FC1(F)CCCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138495583 1103165157 /nfs/dbraw/zinc/16/51/57/1103165157.db2.gz YZVJQULXIMWITF-UHFFFAOYSA-N 0 0 310.388 3.144 20 10 DGCDRN C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001326255659 1103247623 /nfs/dbraw/zinc/24/76/23/1103247623.db2.gz DZSKPXXGUGWJET-VIFPVBQESA-N 0 0 317.788 3.395 20 10 DGCDRN Cc1cc(-c2nccn2C)c(-c2ccccc2N2CCCC2)nn1 ZINC001244180540 1103259472 /nfs/dbraw/zinc/25/94/72/1103259472.db2.gz MOSFFYOGEBBQII-UHFFFAOYSA-N 0 0 319.412 3.453 20 10 DGCDRN Cn1c2cc(-c3cc(F)c(F)c(F)c3N)ccc2ccc1=O ZINC001244182846 1103262435 /nfs/dbraw/zinc/26/24/35/1103262435.db2.gz HJJWNXVZDQGUOP-UHFFFAOYSA-N 0 0 304.271 3.205 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CC[C@@H]2C)cc1 ZINC001326882386 1103469547 /nfs/dbraw/zinc/46/95/47/1103469547.db2.gz LBYKLOYMJQUXCD-YOEHRIQHSA-N 0 0 303.450 3.473 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNc3nc(C)ncc3C)C2)cc1 ZINC001326886382 1103469632 /nfs/dbraw/zinc/46/96/32/1103469632.db2.gz OMORSICSTLGNQY-HNNXBMFYSA-N 0 0 312.417 3.040 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CC[C@@H]2C)cc1 ZINC001326882385 1103469708 /nfs/dbraw/zinc/46/97/08/1103469708.db2.gz LBYKLOYMJQUXCD-WMLDXEAASA-N 0 0 303.450 3.473 20 10 DGCDRN C[C@@H]1CC[C@H](CCC(=O)Nc2c3nonc3ccc2Cl)O1 ZINC001327168118 1103565505 /nfs/dbraw/zinc/56/55/05/1103565505.db2.gz XWBPZWUOKYRDAV-RKDXNWHRSA-N 0 0 309.753 3.162 20 10 DGCDRN Cc1cc(-c2ccc3ncc(=O)n(C)c3c2)cnc1OC(C)C ZINC001244687584 1103623521 /nfs/dbraw/zinc/62/35/21/1103623521.db2.gz ALOURUGTQZOVCT-UHFFFAOYSA-N 0 0 309.369 3.091 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H](C)n1cccc1 ZINC001327341384 1103626062 /nfs/dbraw/zinc/62/60/62/1103626062.db2.gz OECPFPWGTLSWIA-CVEARBPZSA-N 0 0 313.445 3.171 20 10 DGCDRN COC(=O)c1cc2ccc(-c3cc(OC)cnc3F)cc2n1C ZINC001245062310 1103834276 /nfs/dbraw/zinc/83/42/76/1103834276.db2.gz SUWZQDUWUNGICW-UHFFFAOYSA-N 0 0 314.316 3.175 20 10 DGCDRN Cc1ccc2c(c1NC(=O)NC(C)C)C(=O)c1ccccc1C2=O ZINC001202525459 1103904600 /nfs/dbraw/zinc/90/46/00/1103904600.db2.gz XMRYZVPBYIFCTN-UHFFFAOYSA-N 0 0 322.364 3.300 20 10 DGCDRN CCN(c1ccccc1)c1cc(-c2cnn(COC)c2)ncn1 ZINC001245219757 1103914711 /nfs/dbraw/zinc/91/47/11/1103914711.db2.gz VDBJPABCXXZHJV-UHFFFAOYSA-N 0 0 309.373 3.102 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1ncc(Cl)s1)CCC2 ZINC001137112035 1103985719 /nfs/dbraw/zinc/98/57/19/1103985719.db2.gz QBXOFFAELPRTKE-UHFFFAOYSA-N 0 0 310.806 3.156 20 10 DGCDRN COc1ccc(N(C)CCN(C)Cc2nc(C)sc2C)cc1 ZINC001328621724 1104000709 /nfs/dbraw/zinc/00/07/09/1104000709.db2.gz ZVLNNQRVPYSWRG-UHFFFAOYSA-N 0 0 319.474 3.337 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCC[C@H](F)C1 ZINC001328656038 1104013650 /nfs/dbraw/zinc/01/36/50/1104013650.db2.gz CVHBMCIKBIFAEU-NWDGAFQWSA-N 0 0 300.761 3.126 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001329237116 1104197137 /nfs/dbraw/zinc/19/71/37/1104197137.db2.gz RUACACGICQCSBH-BRWVUGGUSA-N 0 0 311.429 3.051 20 10 DGCDRN CSc1cnc(F)c(-c2nnc(C)cc2-c2nccn2C)c1 ZINC001245758497 1104222863 /nfs/dbraw/zinc/22/28/63/1104222863.db2.gz JXVUXEFKTIATTC-UHFFFAOYSA-N 0 0 315.377 3.109 20 10 DGCDRN COc1nc(OC)c(-c2ccnc3c2ccn3C)cc1SC ZINC001245782507 1104234481 /nfs/dbraw/zinc/23/44/81/1104234481.db2.gz SUWBYELAZIZONK-UHFFFAOYSA-N 0 0 315.398 3.374 20 10 DGCDRN O=C(Cc1ccc(F)cc1F)Nc1c2nonc2ccc1Cl ZINC001329520367 1104296325 /nfs/dbraw/zinc/29/63/25/1104296325.db2.gz XLZDPIURBBQXKQ-UHFFFAOYSA-N 0 0 323.686 3.336 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc(C(F)F)o2)cc1F ZINC001329777970 1104385117 /nfs/dbraw/zinc/38/51/17/1104385117.db2.gz PACJAJGWERUJLW-UHFFFAOYSA-N 0 0 312.291 3.352 20 10 DGCDRN COc1ccc(N2CCC[C@]23CCN(C2CCCC2)C3=O)cc1 ZINC001274790802 1104490390 /nfs/dbraw/zinc/49/03/90/1104490390.db2.gz LUPLAXHIIODFHK-LJQANCHMSA-N 0 0 314.429 3.209 20 10 DGCDRN COc1ccc(N2CCC3(CCN(CC(C)C)C3=O)CC2)cc1 ZINC001274791896 1104492123 /nfs/dbraw/zinc/49/21/23/1104492123.db2.gz WPZHJCXACDHGLP-UHFFFAOYSA-N 0 0 316.445 3.170 20 10 DGCDRN CCOc1ccc(N2CCC[C@@]23CCN(CC(C)C)C3=O)cc1 ZINC001274797326 1104494661 /nfs/dbraw/zinc/49/46/61/1104494661.db2.gz BGXPJTULYNAERS-IBGZPJMESA-N 0 0 316.445 3.313 20 10 DGCDRN CC[C@@H](C)N1CC[C@@]2(CCCN2c2ccc(OC)c(F)c2)C1=O ZINC001274862034 1104523534 /nfs/dbraw/zinc/52/35/34/1104523534.db2.gz PNSQKGRRIAXJGU-ACJLOTCBSA-N 0 0 320.408 3.204 20 10 DGCDRN CCCCN1CC[C@@]2(CCCN2c2ccc(OC)c(F)c2)C1=O ZINC001274861711 1104523980 /nfs/dbraw/zinc/52/39/80/1104523980.db2.gz LPZDCPNPTJEEFW-SFHVURJKSA-N 0 0 320.408 3.206 20 10 DGCDRN COc1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC(C)C)cc1F ZINC001274866555 1104528079 /nfs/dbraw/zinc/52/80/79/1104528079.db2.gz UZRBMWMQKBNFLI-HZPDHXFCSA-N 0 0 320.408 3.060 20 10 DGCDRN CCc1oc2ccccc2c1C(=O)NCc1cc(O)ccc1O ZINC001303225955 1104580784 /nfs/dbraw/zinc/58/07/84/1104580784.db2.gz URZMQZSEHHUSPP-UHFFFAOYSA-N 0 0 311.337 3.336 20 10 DGCDRN CS[C@@H]1CC[C@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001330852345 1104662771 /nfs/dbraw/zinc/66/27/71/1104662771.db2.gz DBKKBCYDRDWHSC-QWHCGFSZSA-N 0 0 320.418 3.205 20 10 DGCDRN COc1ccc(CN(C)C(=O)c2cccc(O)c2O)cc1Cl ZINC001299458093 1104682403 /nfs/dbraw/zinc/68/24/03/1104682403.db2.gz UURXXCNMUOXRRX-UHFFFAOYSA-N 0 0 321.760 3.032 20 10 DGCDRN CCc1ccc(NC(=S)NCc2ncc(F)cc2F)cc1 ZINC001247361759 1104879149 /nfs/dbraw/zinc/87/91/49/1104879149.db2.gz VYJQJOPEIKVWEM-UHFFFAOYSA-N 0 0 307.369 3.409 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]3CCC(=O)N3)n2)cc1 ZINC001247414169 1104897382 /nfs/dbraw/zinc/89/73/82/1104897382.db2.gz KHTXUKBSLXLYTQ-HNNXBMFYSA-N 0 0 322.368 3.095 20 10 DGCDRN CC(=O)N[C@H](C)c1nc(-c2ccc(-n3c(C)ccc3C)cc2)no1 ZINC001247532163 1104920108 /nfs/dbraw/zinc/92/01/08/1104920108.db2.gz IMGWSKMDXRDRRG-CYBMUJFWSA-N 0 0 324.384 3.341 20 10 DGCDRN Cc1c(F)ccc(-c2noc(Cc3ccc(O)c(O)c3)n2)c1F ZINC001247959772 1105021219 /nfs/dbraw/zinc/02/12/19/1105021219.db2.gz XCGLDBZBIITQSH-UHFFFAOYSA-N 0 0 318.279 3.325 20 10 DGCDRN COc1cc(F)c(-c2noc(Cc3ccc(N)cc3)n2)cc1F ZINC001248184473 1105062522 /nfs/dbraw/zinc/06/25/22/1105062522.db2.gz WHSNTCSMWXPDFG-UHFFFAOYSA-N 0 0 317.295 3.196 20 10 DGCDRN Nc1ccc(Cc2nc(-c3ccc4c(c3)CCC4=O)no2)cc1 ZINC001248184450 1105062948 /nfs/dbraw/zinc/06/29/48/1105062948.db2.gz VMJBEUSMLNWSPO-UHFFFAOYSA-N 0 0 305.337 3.039 20 10 DGCDRN Nc1ccc(Cc2nc(-c3ccc(-n4ccnc4)cc3)no2)cc1 ZINC001248184078 1105063047 /nfs/dbraw/zinc/06/30/47/1105063047.db2.gz MRSXMPAJGKZVSZ-UHFFFAOYSA-N 0 0 317.352 3.095 20 10 DGCDRN Nc1ccc(Cc2nc(-c3cc(F)c(F)cc3F)no2)cc1 ZINC001248188996 1105063710 /nfs/dbraw/zinc/06/37/10/1105063710.db2.gz YBFLHKFZINUDMR-UHFFFAOYSA-N 0 0 305.259 3.327 20 10 DGCDRN Fc1ccc(F)c(NC(=S)NCc2ccc(Cl)cn2)c1 ZINC001248614902 1105136823 /nfs/dbraw/zinc/13/68/23/1105136823.db2.gz TUFCRXSYCIHDSA-UHFFFAOYSA-N 0 0 313.760 3.500 20 10 DGCDRN Cc1cccc2c1N[C@@H](c1ccc(N3CCCC3)cc1)NC2=O ZINC001248746034 1105154573 /nfs/dbraw/zinc/15/45/73/1105154573.db2.gz DZLXWWLOPIUZOA-GOSISDBHSA-N 0 0 307.397 3.449 20 10 DGCDRN CC(C)Sc1nccc(CN2CCc3cccc(O)c3C2)n1 ZINC001248832891 1105174901 /nfs/dbraw/zinc/17/49/01/1105174901.db2.gz IOBIOJVJAJBIQI-UHFFFAOYSA-N 0 0 315.442 3.241 20 10 DGCDRN CC(C)(C)c1cc(O)c(CN2CC[C@@](F)(CO)C2)cc1Cl ZINC001248881221 1105185595 /nfs/dbraw/zinc/18/55/95/1105185595.db2.gz UCKRIMCYAKMMSB-INIZCTEOSA-N 0 0 315.816 3.249 20 10 DGCDRN CN1CCCN(Cc2cc(Cl)c(C(C)(C)C)cc2O)CC1=O ZINC001248883202 1105185674 /nfs/dbraw/zinc/18/56/74/1105185674.db2.gz AIWKFXWFEAMPTN-UHFFFAOYSA-N 0 0 324.852 3.007 20 10 DGCDRN Oc1ccc(CCc2nc(-c3ccc(F)c(F)c3)no2)cc1O ZINC001248983896 1105208849 /nfs/dbraw/zinc/20/88/49/1105208849.db2.gz IZHXPJZEXUUMFX-UHFFFAOYSA-N 0 0 318.279 3.211 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2noc([C@H]3C[C@H](O)C3)n2)cc1 ZINC001249087273 1105223911 /nfs/dbraw/zinc/22/39/11/1105223911.db2.gz LZWODTCIQGADQW-KOMQPUFPSA-N 0 0 309.369 3.382 20 10 DGCDRN CCc1cccc(C)c1NC(=S)NCc1ncccc1O ZINC001249574234 1105319485 /nfs/dbraw/zinc/31/94/85/1105319485.db2.gz LGPPOQBURXBXNG-UHFFFAOYSA-N 0 0 301.415 3.145 20 10 DGCDRN Cc1cc(-n2c(=N)ccc(/N=N/c3ccccc3)c2N)cnc1N ZINC001249781893 1105380398 /nfs/dbraw/zinc/38/03/98/1105380398.db2.gz MIAKOQAHEXGQHI-STMMAZFDSA-N 0 0 319.372 3.240 20 10 DGCDRN Cc1cc(Nc2ccccc2C(=O)c2ccncc2)cnc1N ZINC001249794071 1105383439 /nfs/dbraw/zinc/38/34/39/1105383439.db2.gz IPDAHVVHYMDLMA-UHFFFAOYSA-N 0 0 304.353 3.342 20 10 DGCDRN Cc1cc(CN2CCn3cccc3C2)c(O)cc1Br ZINC001250128214 1105448535 /nfs/dbraw/zinc/44/85/35/1105448535.db2.gz ASGTWYKKKCBLNN-UHFFFAOYSA-N 0 0 321.218 3.280 20 10 DGCDRN OCc1ccc(OC(F)(F)F)cc1Nc1cccc(O)c1O ZINC001250272859 1105486001 /nfs/dbraw/zinc/48/60/01/1105486001.db2.gz DBBXRSFEOZLEJQ-UHFFFAOYSA-N 0 0 315.247 3.232 20 10 DGCDRN CN(C)c1ccc(-c2nc3cc(N4CCOCC4)ccc3[nH]2)cc1 ZINC001250468527 1105519289 /nfs/dbraw/zinc/51/92/89/1105519289.db2.gz AZYCEJOZNUSGCH-UHFFFAOYSA-N 0 0 322.412 3.133 20 10 DGCDRN CCOc1ccc2[nH]c(-c3cc(O)c(O)c(OC)c3)nc2c1 ZINC001250488412 1105523882 /nfs/dbraw/zinc/52/38/82/1105523882.db2.gz GYQYWNWYTBQBPF-UHFFFAOYSA-N 0 0 300.314 3.048 20 10 DGCDRN COc1cc(Cl)cc2[nH]c(-c3cc(O)c(O)c(O)c3)nc21 ZINC001251248437 1105644020 /nfs/dbraw/zinc/64/40/20/1105644020.db2.gz QZLNNLBMSMHEMB-UHFFFAOYSA-N 0 0 306.705 3.009 20 10 DGCDRN Cc1ccn(-c2cccc(C(=O)N(C)Cc3ccccc3O)c2)n1 ZINC001251330633 1105650167 /nfs/dbraw/zinc/65/01/67/1105650167.db2.gz LEWDUYSNLVTECN-UHFFFAOYSA-N 0 0 321.380 3.159 20 10 DGCDRN Oc1cc(O)c(-c2nc3c(cc(Cl)c(F)c3F)[nH]2)cc1O ZINC001251355602 1105652340 /nfs/dbraw/zinc/65/23/40/1105652340.db2.gz WHNRILLELDAWJE-UHFFFAOYSA-N 0 0 312.659 3.278 20 10 DGCDRN Oc1ccc(CCc2nnc(-c3ccc(F)cc3)o2)cc1O ZINC001252210668 1105755454 /nfs/dbraw/zinc/75/54/54/1105755454.db2.gz QNGVADKINWNBMQ-UHFFFAOYSA-N 0 0 300.289 3.072 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2c(C)cccc2F)c1 ZINC001252981211 1105864695 /nfs/dbraw/zinc/86/46/95/1105864695.db2.gz ILPHXOGDHFKAPU-LLVKDONJSA-N 0 0 303.333 3.339 20 10 DGCDRN O=S(=O)(/C=C/c1ccccc1)Nc1ccc(O)c(F)c1F ZINC001253032601 1105880367 /nfs/dbraw/zinc/88/03/67/1105880367.db2.gz NZSFEVPAZXVNSD-CMDGGOBGSA-N 0 0 311.309 3.083 20 10 DGCDRN O=S(=O)(/C=C/c1ccccc1)Nc1c(F)cc(O)cc1F ZINC001253047044 1105883072 /nfs/dbraw/zinc/88/30/72/1105883072.db2.gz KOZSQVMDIRGJKX-VOTSOKGWSA-N 0 0 311.309 3.083 20 10 DGCDRN CCCCS(=O)(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC001253843720 1105995859 /nfs/dbraw/zinc/99/58/59/1105995859.db2.gz VIOPALVBPGMHRV-UHFFFAOYSA-N 0 0 317.410 3.459 20 10 DGCDRN CCCc1nnc(-c2ccc3c(c2)C(=O)c2ccccc2C3=O)o1 ZINC001253944578 1106002784 /nfs/dbraw/zinc/00/27/84/1106002784.db2.gz OAWKEPMJQPRESK-UHFFFAOYSA-N 0 0 318.332 3.465 20 10 DGCDRN Nc1ccc(CCn2cc(-c3ccc(F)cc3F)nn2)cc1 ZINC001254081100 1106015593 /nfs/dbraw/zinc/01/55/93/1106015593.db2.gz LHOKBHQSFPLCTO-UHFFFAOYSA-N 0 0 300.312 3.048 20 10 DGCDRN Oc1cccc(-c2nnc(Cc3cccc(Cl)c3)o2)c1O ZINC001254414909 1106067438 /nfs/dbraw/zinc/06/74/38/1106067438.db2.gz BSZOBQPVVJITIR-UHFFFAOYSA-N 0 0 302.717 3.392 20 10 DGCDRN Oc1ccc(-c2nnc([C@H]3C[C@H]3c3ccccc3)o2)c(O)c1O ZINC001254512672 1106089184 /nfs/dbraw/zinc/08/91/84/1106089184.db2.gz KNYMFMOXTCWMDY-RYUDHWBXSA-N 0 0 310.309 3.125 20 10 DGCDRN CCc1ccc(S(=O)(=O)N(CC)Cc2ccccc2O)cc1 ZINC001255062824 1106173316 /nfs/dbraw/zinc/17/33/16/1106173316.db2.gz RFRURGQSTCYXLU-UHFFFAOYSA-N 0 0 319.426 3.165 20 10 DGCDRN CCc1ccc(S(=O)(=O)Nc2cc(F)c(O)c(F)c2)cc1 ZINC001255075771 1106174460 /nfs/dbraw/zinc/17/44/60/1106174460.db2.gz PJYCAVGNRCBZLP-UHFFFAOYSA-N 0 0 313.325 3.034 20 10 DGCDRN Oc1ccc(-c2nnc(CCC3CCCCC3)o2)c(O)c1O ZINC001256788476 1106483313 /nfs/dbraw/zinc/48/33/13/1106483313.db2.gz PTBSJIPFICACST-UHFFFAOYSA-N 0 0 304.346 3.366 20 10 DGCDRN c1ccn(-c2ccc(-c3nnc(CCc4cncnc4)o3)cc2)c1 ZINC001256931787 1106513761 /nfs/dbraw/zinc/51/37/61/1106513761.db2.gz WEHRNXUBBALMNG-UHFFFAOYSA-N 0 0 317.352 3.103 20 10 DGCDRN CCn1ccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)n1 ZINC001256941416 1106514547 /nfs/dbraw/zinc/51/45/47/1106514547.db2.gz YSGMOBZVRICUPB-UHFFFAOYSA-N 0 0 305.341 3.411 20 10 DGCDRN Oc1cccnc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256941276 1106514722 /nfs/dbraw/zinc/51/47/22/1106514722.db2.gz WPRAVWDSVMFNFL-UHFFFAOYSA-N 0 0 304.309 3.295 20 10 DGCDRN Fc1cnc(Cc2nnc(-c3ccc(-n4cccc4)cc3)o2)nc1 ZINC001256956912 1106515228 /nfs/dbraw/zinc/51/52/28/1106515228.db2.gz CSBOOAKCMNTIJI-UHFFFAOYSA-N 0 0 321.315 3.047 20 10 DGCDRN C[C@](O)(c1nnc(-c2ccc(-n3cccc3)cc2)o1)C(F)(F)F ZINC001256961617 1106516126 /nfs/dbraw/zinc/51/61/26/1106516126.db2.gz SGRVXXQNAFYMDE-AWEZNQCLSA-N 0 0 323.274 3.297 20 10 DGCDRN CCn1cc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)cn1 ZINC001256974431 1106519150 /nfs/dbraw/zinc/51/91/50/1106519150.db2.gz BQNWHBOUKJRSBQ-UHFFFAOYSA-N 0 0 305.341 3.411 20 10 DGCDRN FCCn1cncc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256982271 1106520961 /nfs/dbraw/zinc/52/09/61/1106520961.db2.gz ZDEBUHYMAJVHLG-UHFFFAOYSA-N 0 0 323.331 3.360 20 10 DGCDRN COc1cc(/C=C/c2nnc(CCC(C)C)o2)cc(O)c1O ZINC001258322371 1106716529 /nfs/dbraw/zinc/71/65/29/1106716529.db2.gz GRMKOSQOJFUDFY-FNORWQNLSA-N 0 0 304.346 3.248 20 10 DGCDRN COc1cc(/C=C/c2nnc(CC3CCCC3)o2)cc(O)c1O ZINC001258665489 1106890313 /nfs/dbraw/zinc/89/03/13/1106890313.db2.gz LYRVCLNYOVQNTD-VOTSOKGWSA-N 0 0 316.357 3.393 20 10 DGCDRN O=C(/C=C/Sc1ccccc1)NCc1ccc(O)cc1O ZINC001299572141 1107123550 /nfs/dbraw/zinc/12/35/50/1107123550.db2.gz BYYOLJLMBCIUTK-CMDGGOBGSA-N 0 0 301.367 3.020 20 10 DGCDRN CCOC(=O)[C@H](NCc1ccc(N2CCCCC2)cc1)C1CC1 ZINC001320793820 1107139880 /nfs/dbraw/zinc/13/98/80/1107139880.db2.gz YUECWSLWVRKALS-GOSISDBHSA-N 0 0 316.445 3.108 20 10 DGCDRN Cc1cc(C)cc(S(=O)(=O)N[C@H](C)c2ccccc2O)c1 ZINC001259526915 1107161775 /nfs/dbraw/zinc/16/17/75/1107161775.db2.gz NUKZIWLCTKBGQU-CYBMUJFWSA-N 0 0 305.399 3.049 20 10 DGCDRN Cc1c(O)ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)c1C ZINC001259861222 1107213272 /nfs/dbraw/zinc/21/32/72/1107213272.db2.gz WEQSEHATWMTFAS-UHFFFAOYSA-N 0 0 317.410 3.299 20 10 DGCDRN CN(C)c1cccc(NS(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC001259861441 1107214180 /nfs/dbraw/zinc/21/41/80/1107214180.db2.gz KOJIVVYVRKLFHN-UHFFFAOYSA-N 0 0 316.426 3.042 20 10 DGCDRN Cc1ccccc1CS(=O)(=O)Nc1ccc(O)c(Cl)c1 ZINC001260022491 1107239561 /nfs/dbraw/zinc/23/95/61/1107239561.db2.gz YVFQVZKBRMUGSE-UHFFFAOYSA-N 0 0 311.790 3.296 20 10 DGCDRN COc1ccc(CNC(=O)C(F)(F)c2ccccc2C)c(O)c1 ZINC001321100729 1107248237 /nfs/dbraw/zinc/24/82/37/1107248237.db2.gz NXTGSHSRKZFQII-UHFFFAOYSA-N 0 0 321.323 3.117 20 10 DGCDRN Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2)c2ccncc12 ZINC001260085760 1107250308 /nfs/dbraw/zinc/25/03/08/1107250308.db2.gz IOMZCSTUEOCCPJ-UHFFFAOYSA-N 0 0 314.366 3.050 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1c(Cl)cncc1Cl ZINC001303875757 1107269260 /nfs/dbraw/zinc/26/92/60/1107269260.db2.gz NXZMPCJWIXEWQY-UHFFFAOYSA-N 0 0 315.131 3.163 20 10 DGCDRN Cc1cc(NS(=O)(=O)c2ccc(F)c(C)c2)c(C)cc1O ZINC001260758813 1107315352 /nfs/dbraw/zinc/31/53/52/1107315352.db2.gz ACWLGSGHDRLXLC-UHFFFAOYSA-N 0 0 309.362 3.257 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[C@@H](OC)C1 ZINC001321309246 1107319291 /nfs/dbraw/zinc/31/92/91/1107319291.db2.gz BYPBXYFXXVCCJV-JKSUJKDBSA-N 0 0 320.433 3.271 20 10 DGCDRN CCN(Cc1ccccc1O)S(=O)(=O)c1cccc(C)c1C ZINC001260995979 1107338220 /nfs/dbraw/zinc/33/82/20/1107338220.db2.gz MOFIOIJLQGCNKI-UHFFFAOYSA-N 0 0 319.426 3.220 20 10 DGCDRN Cc1nc(Cl)ccc1C(=O)Nc1c2nonc2ccc1Cl ZINC001261140350 1107352397 /nfs/dbraw/zinc/35/23/97/1107352397.db2.gz PLGRAZUFDSOSEM-UHFFFAOYSA-N 0 0 323.139 3.485 20 10 DGCDRN CS[C@@H]1CCC[C@H](NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC001261962151 1107565729 /nfs/dbraw/zinc/56/57/29/1107565729.db2.gz MTRMBTXLAUSBAL-QWHCGFSZSA-N 0 0 306.431 3.092 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC(C)(C)C(F)(F)F)cc1F ZINC001262082807 1107608359 /nfs/dbraw/zinc/60/83/59/1107608359.db2.gz OJDGJUVTPXJYKV-UHFFFAOYSA-N 0 0 321.318 3.032 20 10 DGCDRN Nc1ccc(CNC(=O)N2CCC[C@@H](Cc3ccccc3)C2)cc1 ZINC001262603807 1107735199 /nfs/dbraw/zinc/73/51/99/1107735199.db2.gz VWZXKIPCCCZDKO-SFHVURJKSA-N 0 0 323.440 3.433 20 10 DGCDRN Cc1ccccc1[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001262603935 1107736328 /nfs/dbraw/zinc/73/63/28/1107736328.db2.gz ZVYOCNGLFHUQFJ-MRXNPFEDSA-N 0 0 309.413 3.276 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)CC2(C(F)(F)F)CC2)cc1 ZINC001322816173 1107760162 /nfs/dbraw/zinc/76/01/62/1107760162.db2.gz WZLUNARBAKEUER-UHFFFAOYSA-N 0 0 314.351 3.444 20 10 DGCDRN Cc1cc(-c2nnc(C3=COCCO3)o2)c(C)n1-c1ccccc1 ZINC001322827558 1107762222 /nfs/dbraw/zinc/76/22/22/1107762222.db2.gz HZLIBJXFKFKAHO-UHFFFAOYSA-N 0 0 323.352 3.489 20 10 DGCDRN Cc1ccc(CN(C)c2nnc(C3SC=CC3=O)n2C)s1 ZINC001262854840 1107846249 /nfs/dbraw/zinc/84/62/49/1107846249.db2.gz XWQBDDTXHAZAEU-UHFFFAOYSA-N 0 0 320.443 3.256 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001263010825 1107904398 /nfs/dbraw/zinc/90/43/98/1107904398.db2.gz JIPBPNTZPALOBK-ZJUUUORDSA-N 0 0 324.475 3.062 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)[C@H](C)[C@H](C)CC)CC2)cc1 ZINC001323606066 1108026528 /nfs/dbraw/zinc/02/65/28/1108026528.db2.gz VZVCXHMTRSFBHK-HZPDHXFCSA-N 0 0 318.461 3.416 20 10 DGCDRN O=C1N[C@@H](c2cc(O)ccc2O)Nc2c3ccccc3sc21 ZINC001318850791 1108218093 /nfs/dbraw/zinc/21/80/93/1108218093.db2.gz OYDGLZAAJOQHCI-HNNXBMFYSA-N 0 0 312.350 3.167 20 10 DGCDRN CCc1c(C(=O)Nc2c3nonc3ccc2Cl)ccn1C ZINC001324290311 1108237509 /nfs/dbraw/zinc/23/75/09/1108237509.db2.gz BHGQXWAKUYNZAM-UHFFFAOYSA-N 0 0 304.737 3.029 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)CCCC3CC3)CC2)cc1 ZINC001324318741 1108249048 /nfs/dbraw/zinc/24/90/48/1108249048.db2.gz BOWKUYIZQBXSBK-UHFFFAOYSA-N 0 0 316.445 3.314 20 10 DGCDRN CC(C)[C@]1(CO)CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001324333079 1108253573 /nfs/dbraw/zinc/25/35/73/1108253573.db2.gz FCANZIFPNQGAOV-OAHLLOKOSA-N 0 0 301.789 3.025 20 10 DGCDRN C[C@@H]1CN(Cc2cc(F)ccc2O)c2ccccc2NC1=O ZINC001324334869 1108254398 /nfs/dbraw/zinc/25/43/98/1108254398.db2.gz AZUYUCOAHBUJEU-LLVKDONJSA-N 0 0 300.333 3.126 20 10 DGCDRN Cc1cc(NCc2ccc(N3CCCC3)cc2)cc(C(N)=O)c1 ZINC001324377305 1108269578 /nfs/dbraw/zinc/26/95/78/1108269578.db2.gz GEEYZWJMNDQCAZ-UHFFFAOYSA-N 0 0 309.413 3.306 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CC(C1CC1)C1CC1 ZINC001319208904 1108365769 /nfs/dbraw/zinc/36/57/69/1108365769.db2.gz PIHDLZWHQWAEPE-UHFFFAOYSA-N 0 0 314.429 3.304 20 10 DGCDRN CCn1nc(C)c(CN(c2ccc(OC)cc2)[C@H](C)C2CC2)n1 ZINC001324720037 1108440792 /nfs/dbraw/zinc/44/07/92/1108440792.db2.gz HORVZTWTJLKXPP-CQSZACIVSA-N 0 0 314.433 3.420 20 10 DGCDRN Cc1ncccc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001264287030 1108455497 /nfs/dbraw/zinc/45/54/97/1108455497.db2.gz HQXKFJFIYQOYPP-UHFFFAOYSA-N 0 0 309.413 3.262 20 10 DGCDRN CCOC(=O)c1ccccc1N(C)C(=O)/C=C/c1cccnc1C ZINC001264962045 1108683550 /nfs/dbraw/zinc/68/35/50/1108683550.db2.gz VKISGCUWNVRIPC-VAWYXSNFSA-N 0 0 324.380 3.243 20 10 DGCDRN Cc1cc(CNC(=O)c2[nH]cnc2C)c(C)n1-c1cccc(C)c1 ZINC001302263347 1111110662 /nfs/dbraw/zinc/11/06/62/1111110662.db2.gz VRAHUPREDNTFKX-UHFFFAOYSA-N 0 0 322.412 3.364 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(-n2ccnc2)cc1)c1ccccc1O ZINC001302530687 1111117249 /nfs/dbraw/zinc/11/72/49/1111117249.db2.gz WHXKANLCIIZCQH-CYBMUJFWSA-N 0 0 307.353 3.069 20 10 DGCDRN C[C@@H](NC(=O)c1cncnc1-c1ccccc1)c1ccccc1O ZINC001302532651 1111117309 /nfs/dbraw/zinc/11/73/09/1111117309.db2.gz MYSXIKIELSYRKA-CYBMUJFWSA-N 0 0 319.364 3.340 20 10 DGCDRN CC(=O)c1c(C)cc(NC(=O)Cc2ccc(O)c(O)c2)cc1C ZINC001303168992 1111136189 /nfs/dbraw/zinc/13/61/89/1111136189.db2.gz YGMANIIMVUERHN-UHFFFAOYSA-N 0 0 313.353 3.098 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001303225697 1111137568 /nfs/dbraw/zinc/13/75/68/1111137568.db2.gz NOLFSSMQQOYWCR-LSDHHAIUSA-N 0 0 317.772 3.171 20 10 DGCDRN COCCN(Cc1ccc(C)c(C)c1)C(=O)C1=CC(=O)CS1 ZINC001303731182 1111152613 /nfs/dbraw/zinc/15/26/13/1111152613.db2.gz SFLBHZMPKQBLCK-UHFFFAOYSA-N 0 0 319.426 3.359 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1cc2cccc(Cl)c2o1 ZINC001304049696 1111163665 /nfs/dbraw/zinc/16/36/65/1111163665.db2.gz DKJKVFYELGKVMW-UHFFFAOYSA-N 0 0 317.728 3.427 20 10 DGCDRN O=C(NCc1c(O)cccc1O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001304053892 1111164018 /nfs/dbraw/zinc/16/40/18/1111164018.db2.gz VHIHTSDYVHNOBS-HDJSIYSDSA-N 0 0 303.402 3.321 20 10 DGCDRN Cc1cc(C(=O)NCc2c(O)cccc2O)c2nccc(C)c2c1 ZINC001304053048 1111164020 /nfs/dbraw/zinc/16/40/20/1111164020.db2.gz AKSNVWZRKXMNQW-UHFFFAOYSA-N 0 0 322.364 3.193 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCCc2ccccc2C1 ZINC001304316076 1111173298 /nfs/dbraw/zinc/17/32/98/1111173298.db2.gz FRWXDMOUQCMKFR-FPISAVPCSA-N 0 0 323.392 3.175 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)C1=Cc2ccccc2OC1 ZINC001305069333 1111192956 /nfs/dbraw/zinc/19/29/56/1111192956.db2.gz DRBQFYWSTARNMW-UHFFFAOYSA-N 0 0 315.756 3.138 20 10 DGCDRN CCc1cccc(CC(=O)NCc2cccc(Cl)c2O)c1 ZINC001305085226 1111193193 /nfs/dbraw/zinc/19/31/93/1111193193.db2.gz UGRWIPFSJYURQC-UHFFFAOYSA-N 0 0 303.789 3.467 20 10 DGCDRN CSc1ccccc1CN(C)C(=O)c1c(F)ccc(O)c1O ZINC001306836511 1111243438 /nfs/dbraw/zinc/24/34/38/1111243438.db2.gz NJRDWTBGPZLVCT-UHFFFAOYSA-N 0 0 321.373 3.231 20 10 DGCDRN Cc1cc(C(F)(F)F)c(NCc2c(O)cccc2F)nn1 ZINC001307214739 1111279815 /nfs/dbraw/zinc/27/98/15/1111279815.db2.gz RGFRFIYSMFPOLV-UHFFFAOYSA-N 0 0 301.243 3.261 20 10 DGCDRN COc1cccc(C(=O)CSc2ncc(Cl)s2)n1 ZINC001307376255 1111293729 /nfs/dbraw/zinc/29/37/29/1111293729.db2.gz FJKLLAPPWJTXLX-UHFFFAOYSA-N 0 0 300.792 3.175 20 10 DGCDRN CC(C)COC(=O)CN1CCCc2cc(OC(F)F)ccc21 ZINC001307537000 1111312552 /nfs/dbraw/zinc/31/25/52/1111312552.db2.gz JRWZVBMAPUVCRD-UHFFFAOYSA-N 0 0 313.344 3.240 20 10 DGCDRN COc1cc(CN(Cc2ccco2)Cc2ccccc2O)on1 ZINC001307565535 1111315238 /nfs/dbraw/zinc/31/52/38/1111315238.db2.gz AOESRSSLPSXATE-UHFFFAOYSA-N 0 0 314.341 3.184 20 10 DGCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2CCc1cnn(C)c1 ZINC001307863492 1111348394 /nfs/dbraw/zinc/34/83/94/1111348394.db2.gz GXXLEARWBOTBIE-KRWDZBQOSA-N 0 0 313.445 3.306 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2CSCc3ccccc32)c1 ZINC001308259046 1111406305 /nfs/dbraw/zinc/40/63/05/1111406305.db2.gz KCCWSUUNHZHERQ-OAHLLOKOSA-N 0 0 316.382 3.378 20 10 DGCDRN Cc1[nH]nnc1NCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001308529050 1111439067 /nfs/dbraw/zinc/43/90/67/1111439067.db2.gz IKXWCIQVZQYSBN-UHFFFAOYSA-N 0 0 319.412 3.288 20 10 DGCDRN CN(C)c1ccc(C[N@H+](C)Cc2cc(F)cc(F)c2[O-])cc1 ZINC001308557907 1111443961 /nfs/dbraw/zinc/44/39/61/1111443961.db2.gz HMCNMMUECCVXES-UHFFFAOYSA-N 0 0 306.356 3.368 20 10 DGCDRN Oc1cc(F)c(F)cc1CN1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001308624794 1111452686 /nfs/dbraw/zinc/45/26/86/1111452686.db2.gz BZNXKJMMRXGFOW-QGZVFWFLSA-N 0 0 323.314 3.383 20 10 DGCDRN CCN1C(=O)CCc2cc(NCc3cccc(F)c3O)ccc21 ZINC001308678478 1111459616 /nfs/dbraw/zinc/45/96/16/1111459616.db2.gz VZJQWFSMFZRGTQ-UHFFFAOYSA-N 0 0 314.360 3.443 20 10 DGCDRN CC(C)c1ccc(O)c(CNc2ccc(-n3cncn3)cn2)c1 ZINC001308740233 1111468255 /nfs/dbraw/zinc/46/82/55/1111468255.db2.gz WFNXKROAJBXIRB-UHFFFAOYSA-N 0 0 309.373 3.103 20 10 DGCDRN COc1c([O-])c(C[NH2+]C[C@H]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC001308858120 1111485258 /nfs/dbraw/zinc/48/52/58/1111485258.db2.gz ZYDCILHMOQVAPB-ITGUQSILSA-N 0 0 322.405 3.471 20 10 DGCDRN O=C(NCCc1ccccc1)NCc1cc(Cl)ccc1O ZINC001311366014 1111597003 /nfs/dbraw/zinc/59/70/03/1111597003.db2.gz KAQJIBPDQNNSNO-UHFFFAOYSA-N 0 0 304.777 3.088 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N[C@@H]3CCC(C)(C)C3)ccc21 ZINC001311729364 1111616202 /nfs/dbraw/zinc/61/62/02/1111616202.db2.gz QPNJHRQJTKSFAU-MRXNPFEDSA-N 0 0 315.461 3.447 20 10 DGCDRN O=C(NCc1cccc2cccnc21)N1Cc2cccc(O)c2C1 ZINC001311757728 1111617656 /nfs/dbraw/zinc/61/76/56/1111617656.db2.gz TWUNGGAJPNSCOU-UHFFFAOYSA-N 0 0 319.364 3.166 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC2(CC)CC2)cc1F ZINC001311936257 1111627138 /nfs/dbraw/zinc/62/71/38/1111627138.db2.gz XHOPNXZWEUTEHX-UHFFFAOYSA-N 0 0 307.413 3.414 20 10 DGCDRN C[C@H](NC(=O)NCCc1cc(F)ccc1F)c1ccccc1O ZINC001312155125 1111639507 /nfs/dbraw/zinc/63/95/07/1111639507.db2.gz FWLKKXUCBFZQKN-NSHDSACASA-N 0 0 320.339 3.273 20 10 DGCDRN O=C(c1ccccc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000078917814 185129138 /nfs/dbraw/zinc/12/91/38/185129138.db2.gz NGLOHARRFISSCH-KRWDZBQOSA-N 0 0 311.381 3.214 20 10 DGCDRN c1nc(COc2ccc(N3CCCC3)cc2)nn1-c1ccccc1 ZINC000092316645 185312074 /nfs/dbraw/zinc/31/20/74/185312074.db2.gz ZGYIFRDLDNGOSC-UHFFFAOYSA-N 0 0 320.396 3.447 20 10 DGCDRN CCc1nc(CN2CCCc3cc(OC(F)F)ccc32)no1 ZINC000111205924 529736385 /nfs/dbraw/zinc/73/63/85/529736385.db2.gz GGLMCHVZRKWQKH-UHFFFAOYSA-N 0 0 309.316 3.186 20 10 DGCDRN CCc1ncnc(N(CC)Cc2ccc(N(C)C)cc2)c1F ZINC000301968831 529761756 /nfs/dbraw/zinc/76/17/56/529761756.db2.gz PVHBBHOVIKWIHR-UHFFFAOYSA-N 0 0 302.397 3.271 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2CC(=O)c3ccccc32)cc1 ZINC000276507274 529780066 /nfs/dbraw/zinc/78/00/66/529780066.db2.gz YMGQAANJRBKICE-SFHVURJKSA-N 0 0 322.408 3.081 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1(c2ccccc2)CC1 ZINC000188908683 282295296 /nfs/dbraw/zinc/29/52/96/282295296.db2.gz SMBWZQNKIFBGTM-UHFFFAOYSA-N 0 0 322.408 3.210 20 10 DGCDRN CC(C)(C)CCCC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000103431842 432009537 /nfs/dbraw/zinc/00/95/37/432009537.db2.gz WIOXDELJGCUIAO-UHFFFAOYSA-N 0 0 318.461 3.356 20 10 DGCDRN CN(C(=O)COc1ccc(F)cc1Cl)c1ccc(N)cc1 ZINC000037902135 1193973328 /nfs/dbraw/zinc/97/33/28/1193973328.db2.gz BNBKKFANKXINSP-UHFFFAOYSA-N 0 0 308.740 3.103 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccncc1Cl ZINC000073147715 191283947 /nfs/dbraw/zinc/28/39/47/191283947.db2.gz VHUPOGYECWMRBU-UHFFFAOYSA-N 0 0 316.788 3.249 20 10 DGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NC(C)C ZINC000080665379 192180250 /nfs/dbraw/zinc/18/02/50/192180250.db2.gz ZRSVMBYGDYUCLZ-UHFFFAOYSA-N 0 0 315.211 3.095 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCc2ccccc21 ZINC000133352783 432061317 /nfs/dbraw/zinc/06/13/17/432061317.db2.gz WVWNVIGLTBNQGV-UHFFFAOYSA-N 0 0 319.408 3.335 20 10 DGCDRN CCCCNC(=O)C1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000179699418 432068220 /nfs/dbraw/zinc/06/82/20/432068220.db2.gz PJMKCDSFEZSDTA-UHFFFAOYSA-N 0 0 324.852 3.174 20 10 DGCDRN COc1ccc(O)c(CN2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000179718782 432068766 /nfs/dbraw/zinc/06/87/66/432068766.db2.gz XAMDEFAZCYRVRP-SFHVURJKSA-N 0 0 317.360 3.113 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000290157010 299344538 /nfs/dbraw/zinc/34/45/38/299344538.db2.gz DARSAOLTIPTFHH-MMPTUQATSA-N 0 0 307.340 3.443 20 10 DGCDRN Cc1ccc(S(=O)(=O)CCCSc2nccs2)cc1 ZINC000091582983 193075564 /nfs/dbraw/zinc/07/55/64/193075564.db2.gz ALQTYMZTKQSASG-UHFFFAOYSA-N 0 0 313.469 3.408 20 10 DGCDRN C[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000282220518 296119935 /nfs/dbraw/zinc/11/99/35/296119935.db2.gz HYEIPHBZNAWEJH-LILOVNGRSA-N 0 0 322.257 3.261 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCc2c1cccc2O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273469112 299396060 /nfs/dbraw/zinc/39/60/60/299396060.db2.gz FGJVEUUEOGMTHC-ZUZCIYMTSA-N 0 0 314.341 3.344 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1ccc(F)c(F)c1[O-] ZINC000278479058 296132607 /nfs/dbraw/zinc/13/26/07/296132607.db2.gz OOZFMGWXYZYGDI-DGCLKSJQSA-N 0 0 310.388 3.338 20 10 DGCDRN COc1ccc(CC(=O)NCc2c(C)c3ccccc3n2C)cc1 ZINC000471223781 244208606 /nfs/dbraw/zinc/20/86/06/244208606.db2.gz UOLYDPHBZSWBJI-UHFFFAOYSA-N 0 0 322.408 3.354 20 10 DGCDRN COCCCCCNC(=O)NCc1c(C)c2ccccc2n1C ZINC000471776903 244244732 /nfs/dbraw/zinc/24/47/32/244244732.db2.gz YYPAVGIWXYJQRQ-UHFFFAOYSA-N 0 0 317.433 3.103 20 10 DGCDRN CC(=O)c1cc(F)cc(CN(C)[C@@H](C)c2cccnc2)c1O ZINC000093226825 193218798 /nfs/dbraw/zinc/21/87/98/193218798.db2.gz NTNJAHXWOSIJNF-NSHDSACASA-N 0 0 302.349 3.322 20 10 DGCDRN C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093482717 193258172 /nfs/dbraw/zinc/25/81/72/193258172.db2.gz SLONEWKVEHVKPV-JOYOIKCWSA-N 0 0 304.217 3.434 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273350579 296156961 /nfs/dbraw/zinc/15/69/61/296156961.db2.gz BOHQBWAOQDEKAF-CHWSQXEVSA-N 0 0 320.389 3.443 20 10 DGCDRN C[C@@H]([NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-])c1ncnn1C ZINC000278387446 296158318 /nfs/dbraw/zinc/15/83/18/296158318.db2.gz DKYPTLCKWUYJIG-HTQZYQBOSA-N 0 0 315.204 3.239 20 10 DGCDRN CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000189410800 284302595 /nfs/dbraw/zinc/30/25/95/284302595.db2.gz LCSPVNVMRFMKGY-RKDXNWHRSA-N 0 0 319.232 3.216 20 10 DGCDRN CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000268716627 432125494 /nfs/dbraw/zinc/12/54/94/432125494.db2.gz IUYOVVOHGCPEIQ-JKSUJKDBSA-N 0 0 317.477 3.242 20 10 DGCDRN COc1cncc(/C=C/C(=O)N(C)c2cccc3ncccc32)c1 ZINC000492437541 245705758 /nfs/dbraw/zinc/70/57/58/245705758.db2.gz IDEFEBPTYFJNKX-CMDGGOBGSA-N 0 0 319.364 3.315 20 10 DGCDRN CC(C)CN1C(=O)c2ccccc2N[C@@H]1c1ccc(O)c(O)c1 ZINC000024098815 182375030 /nfs/dbraw/zinc/37/50/30/182375030.db2.gz HDZOCQOYFJAJFD-KRWDZBQOSA-N 0 0 312.369 3.320 20 10 DGCDRN CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OC ZINC000033447507 182711569 /nfs/dbraw/zinc/71/15/69/182711569.db2.gz KNYKRCKTTKOVCO-UKTHLTGXSA-N 0 0 323.439 3.315 20 10 DGCDRN Oc1cc2c(cc1CNc1cccc(Br)c1)OCO2 ZINC000042879247 183315955 /nfs/dbraw/zinc/31/59/55/183315955.db2.gz SXKFKPPUUMZTAT-UHFFFAOYSA-N 0 0 322.158 3.496 20 10 DGCDRN COc1cccc(CNC(=O)c2cc(C)n(C(C)C)c2C)c1O ZINC000105652468 194118324 /nfs/dbraw/zinc/11/83/24/194118324.db2.gz BACMANXVYOZKFB-UHFFFAOYSA-N 0 0 316.401 3.330 20 10 DGCDRN COC[C@H](C)[C@@H](C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000360458183 533004608 /nfs/dbraw/zinc/00/46/08/533004608.db2.gz YBRSTJZBVMHIBL-QWHCGFSZSA-N 0 0 302.418 3.022 20 10 DGCDRN CCOc1cccc(C[NH2+][C@@]2(C)CCCC[C@@H]2C(=O)OC)c1O ZINC000272370592 130024193 /nfs/dbraw/zinc/02/41/93/130024193.db2.gz BNWFXNZRIGWSIQ-KDOFPFPSSA-N 0 0 321.417 3.002 20 10 DGCDRN CCCCN(CC(F)(F)F)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272478673 130034761 /nfs/dbraw/zinc/03/47/61/130034761.db2.gz QIYHYPNAHHSNHP-FNORWQNLSA-N 0 0 317.307 3.302 20 10 DGCDRN CO[C@@H](C)CCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000272749710 130059580 /nfs/dbraw/zinc/05/95/80/130059580.db2.gz LCLXLVIEUCSOSE-HNNXBMFYSA-N 0 0 306.450 3.305 20 10 DGCDRN Cc1ccc(C(=O)N2CC[C@H](c3ccc(F)cc3)C2)c(O)c1O ZINC000272773378 130062918 /nfs/dbraw/zinc/06/29/18/130062918.db2.gz SWGVDGKZKWRRSO-ZDUSSCGKSA-N 0 0 315.344 3.175 20 10 DGCDRN Cc1ccc(O)c([C@@H](C)Nc2ccc3c(c2)n(C)c(=O)n3C)c1 ZINC000273356815 130111046 /nfs/dbraw/zinc/11/10/46/130111046.db2.gz CTFPLRJFLDQCNE-GFCCVEGCSA-N 0 0 311.385 3.064 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000273427538 130120226 /nfs/dbraw/zinc/12/02/26/130120226.db2.gz UQCMOPPVOFCQLN-TZMCWYRMSA-N 0 0 321.367 3.172 20 10 DGCDRN COCc1cccc(N[C@@H](C)c2cc(C(=O)OC)ccc2O)c1 ZINC000273540922 130133838 /nfs/dbraw/zinc/13/38/38/130133838.db2.gz YHLYNGOXCIYOPI-LBPRGKRZSA-N 0 0 315.369 3.498 20 10 DGCDRN CC(=O)[C@@H]1C[C@H](CC(=O)NCc2ccc(N(C)C)cc2)C1(C)C ZINC000273573028 130139007 /nfs/dbraw/zinc/13/90/07/130139007.db2.gz ZSNWDPMHOMVTOF-WBVHZDCISA-N 0 0 316.445 3.010 20 10 DGCDRN CCn1nc(/C=C2\SC(=S)N(CC)C2=O)c2ccccc21 ZINC000274542470 130243744 /nfs/dbraw/zinc/24/37/44/130243744.db2.gz UMRNYBFMFVUQHJ-LCYFTJDESA-N 0 0 317.439 3.277 20 10 DGCDRN CC(C)c1ccc(N(C)C(=O)c2c[nH]nc2-c2cnn(C)c2)cc1 ZINC000275642841 130353602 /nfs/dbraw/zinc/35/36/02/130353602.db2.gz KNMPLJLSLFHIAE-UHFFFAOYSA-N 0 0 323.400 3.210 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000281581959 130872474 /nfs/dbraw/zinc/87/24/74/130872474.db2.gz POOXENIPAAKWQM-QAQDUYKDSA-N 0 0 310.397 3.480 20 10 DGCDRN Cc1cc(Cl)nc(CNC(=O)N(C)Cc2ccccc2O)c1 ZINC000282146089 130903707 /nfs/dbraw/zinc/90/37/07/130903707.db2.gz GMJFACTXQWZFRS-UHFFFAOYSA-N 0 0 319.792 3.091 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1ccn(C)c1 ZINC000283603104 131006841 /nfs/dbraw/zinc/00/68/41/131006841.db2.gz LJODEWYSULUSLY-UHFFFAOYSA-N 0 0 315.417 3.243 20 10 DGCDRN C[C@@H]1COCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000285660374 131190890 /nfs/dbraw/zinc/19/08/90/131190890.db2.gz ZAZCSHQZJIAJPC-NXEZZACHSA-N 0 0 304.217 3.461 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1ccc(F)cc1[O-] ZINC000285820578 131204211 /nfs/dbraw/zinc/20/42/11/131204211.db2.gz WKEOGOQYZCQVBN-GJZGRUSLSA-N 0 0 306.381 3.468 20 10 DGCDRN CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2ccc(F)cc2[O-])[C@@]12CCCO2 ZINC000286352183 131232275 /nfs/dbraw/zinc/23/22/75/131232275.db2.gz ZFZWKTAPKCEASA-SPUZQDLCSA-N 0 0 323.408 3.299 20 10 DGCDRN CC[C@H]([NH2+]Cc1ccc(NC(C)=O)nc1)c1ccc(F)cc1[O-] ZINC000286378512 131233757 /nfs/dbraw/zinc/23/37/57/131233757.db2.gz ANULGXYTOXFJAU-HNNXBMFYSA-N 0 0 317.364 3.126 20 10 DGCDRN COc1cc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)c(F)cn1 ZINC000287561173 131287434 /nfs/dbraw/zinc/28/74/34/131287434.db2.gz GFCHGJJPQCUBEH-LLVKDONJSA-N 0 0 321.371 3.285 20 10 DGCDRN Cc1ccnc(C)c1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000287640178 131292324 /nfs/dbraw/zinc/29/23/24/131292324.db2.gz VRQJXNLVNVRBBY-UHFFFAOYSA-N 0 0 316.380 3.225 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)C(F)(F)F)c(C)n1-c1ccccn1 ZINC000288717455 131337436 /nfs/dbraw/zinc/33/74/36/131337436.db2.gz WHYXJFCNAWFNEJ-LLVKDONJSA-N 0 0 311.307 3.170 20 10 DGCDRN CCOCc1nc([C@@H](C)N[C@@H](C)c2ccc(C)c(C)c2O)no1 ZINC000289589506 131399007 /nfs/dbraw/zinc/39/90/07/131399007.db2.gz AVHMGVBWGAPIRO-QWHCGFSZSA-N 0 0 319.405 3.340 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCCC1(OC)CCC1 ZINC000297168566 132002572 /nfs/dbraw/zinc/00/25/72/132002572.db2.gz AWGPEDNOXQALJX-UHFFFAOYSA-N 0 0 320.433 3.273 20 10 DGCDRN C[C@@H](CCc1ccccc1F)C(=O)NCc1ccc(N)cc1 ZINC000297247561 132005822 /nfs/dbraw/zinc/00/58/22/132005822.db2.gz QJHGUOBDJOTETM-ZDUSSCGKSA-N 0 0 300.377 3.293 20 10 DGCDRN Cc1cccc(OCCCCC(=O)NCc2ccc(N)cc2)c1 ZINC000297323964 132009507 /nfs/dbraw/zinc/00/95/07/132009507.db2.gz XBQNZHRIGJGQSO-UHFFFAOYSA-N 0 0 312.413 3.443 20 10 DGCDRN COc1cccc([C@@H](C)NC(=O)N(C)Cc2ccccc2O)c1 ZINC000298938096 132083437 /nfs/dbraw/zinc/08/34/37/132083437.db2.gz HQOFVKMBQZRMPR-CYBMUJFWSA-N 0 0 314.385 3.303 20 10 DGCDRN CCCN(Cc1nc(CC(C)C)no1)Cc1ccccc1O ZINC000299569361 132111486 /nfs/dbraw/zinc/11/14/86/132111486.db2.gz BGOWJENENDIAGJ-UHFFFAOYSA-N 0 0 303.406 3.386 20 10 DGCDRN O=[N+]([O-])c1cc(Br)cnc1Sc1nccs1 ZINC000042389799 132151617 /nfs/dbraw/zinc/15/16/17/132151617.db2.gz IBXLPZTVAWQNKS-UHFFFAOYSA-N 0 0 318.177 3.360 20 10 DGCDRN C[C@H](Nc1ccc(S(C)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000301061133 400100296 /nfs/dbraw/zinc/10/02/96/400100296.db2.gz CGAJGMRROUJERM-ZDUSSCGKSA-N 0 0 318.442 3.329 20 10 DGCDRN CCN(CC)c1ccc(CNc2cn[nH]c(=O)c2Cl)cc1F ZINC000066859975 400125976 /nfs/dbraw/zinc/12/59/76/400125976.db2.gz HFSYMQGAWKECPQ-UHFFFAOYSA-N 0 0 324.787 3.021 20 10 DGCDRN Cc1cc(C(=O)N(C)Cc2cnn(C)c2)c(C)n1-c1ccccc1 ZINC000024471297 400219506 /nfs/dbraw/zinc/21/95/06/400219506.db2.gz WUMKOCWEEDVNSC-UHFFFAOYSA-N 0 0 322.412 3.100 20 10 DGCDRN CC(C)C[C@H](C)CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000067911076 400216365 /nfs/dbraw/zinc/21/63/65/400216365.db2.gz WQSITUMTHAQVLL-INIZCTEOSA-N 0 0 318.461 3.212 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)C2(c3ccccc3)CC2)cc1 ZINC000028495158 400290162 /nfs/dbraw/zinc/29/01/62/400290162.db2.gz SKJKDIMJWSXWHY-UHFFFAOYSA-N 0 0 308.425 3.443 20 10 DGCDRN C[C@H]1CC[C@H](C(=O)N2CCOc3cc(N(C)C)ccc32)CC1 ZINC000578873290 400332734 /nfs/dbraw/zinc/33/27/34/400332734.db2.gz QFSBJQOJASXPII-HDJSIYSDSA-N 0 0 302.418 3.304 20 10 DGCDRN O=[N+]([O-])c1ccccc1/C=C\CN1C[C@@H](CO)Cc2ccccc21 ZINC000590049637 400351119 /nfs/dbraw/zinc/35/11/19/400351119.db2.gz XLWWQYUPNNQILR-KKTNHOPESA-N 0 0 324.380 3.279 20 10 DGCDRN COCc1cccc(NC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000031730622 400352829 /nfs/dbraw/zinc/35/28/29/400352829.db2.gz QNGRLJKPCXDRNK-UHFFFAOYSA-N 0 0 313.401 3.221 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccnc(Cl)c1 ZINC000042035181 400419888 /nfs/dbraw/zinc/41/98/88/400419888.db2.gz BSASOVZYZQEVPM-UHFFFAOYSA-N 0 0 317.820 3.463 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1CCC2(CC2)CC1 ZINC000611657747 400434434 /nfs/dbraw/zinc/43/44/34/400434434.db2.gz NRYWWMCKZVRAFM-UHFFFAOYSA-N 0 0 314.429 3.448 20 10 DGCDRN Cc1nc(Cl)cc(NCCCSc2nccs2)n1 ZINC000074277146 400501183 /nfs/dbraw/zinc/50/11/83/400501183.db2.gz UCCXDKULULFKTC-UHFFFAOYSA-N 0 0 300.840 3.489 20 10 DGCDRN CC(C)=CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000073627387 400461062 /nfs/dbraw/zinc/46/10/62/400461062.db2.gz OGLCEZVVWCBBSK-SFHVURJKSA-N 0 0 316.445 3.226 20 10 DGCDRN CC(C)=CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000073627390 400461127 /nfs/dbraw/zinc/46/11/27/400461127.db2.gz OGLCEZVVWCBBSK-GOSISDBHSA-N 0 0 316.445 3.226 20 10 DGCDRN COCc1ccccc1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000046032933 400546243 /nfs/dbraw/zinc/54/62/43/400546243.db2.gz NCBNREFMEQOPNO-UHFFFAOYSA-N 0 0 313.401 3.221 20 10 DGCDRN CCSc1cc(C(=O)N(C)Cc2ccccc2O)ccn1 ZINC000054080703 400808520 /nfs/dbraw/zinc/80/85/20/400808520.db2.gz RXOKYYMPIMGUBA-UHFFFAOYSA-N 0 0 302.399 3.171 20 10 DGCDRN Clc1cncc(NCc2ccc(N3CCSCC3)cc2)n1 ZINC000053573351 400792151 /nfs/dbraw/zinc/79/21/51/400792151.db2.gz WYUBURBHBBZYLH-UHFFFAOYSA-N 0 0 320.849 3.295 20 10 DGCDRN CCS[C@H]1CCCC[C@H]1NC(=O)NCc1ccccc1O ZINC000078368525 400793513 /nfs/dbraw/zinc/79/35/13/400793513.db2.gz VXGCCAXHYQHVRB-HIFRSBDPSA-N 0 0 308.447 3.256 20 10 DGCDRN OCCCSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000078415336 400798341 /nfs/dbraw/zinc/79/83/41/400798341.db2.gz XCOFPSQMBRJELJ-OAHLLOKOSA-N 0 0 318.442 3.204 20 10 DGCDRN Fc1cc(Cl)cnc1NCc1ccc(N2CCOCC2)cc1 ZINC000079296889 400857662 /nfs/dbraw/zinc/85/76/62/400857662.db2.gz ZIGPTXVOIANGIS-UHFFFAOYSA-N 0 0 321.783 3.323 20 10 DGCDRN COC1CCC([N@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000079436767 400866526 /nfs/dbraw/zinc/86/65/26/400866526.db2.gz CQQRWPOXOCRWOD-UHFFFAOYSA-N 0 0 309.381 3.123 20 10 DGCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C2CCC2)cc1 ZINC000057512333 401010320 /nfs/dbraw/zinc/01/03/20/401010320.db2.gz CQIUBRDRDFLRBI-GOSISDBHSA-N 0 0 316.445 3.060 20 10 DGCDRN c1csc(Sc2ccc3nnc(-c4ccccc4)n3n2)n1 ZINC000060381314 401112026 /nfs/dbraw/zinc/11/20/26/401112026.db2.gz SCYUCZNBLNDRPM-UHFFFAOYSA-N 0 0 311.395 3.399 20 10 DGCDRN CO[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000273363683 286011859 /nfs/dbraw/zinc/01/18/59/286011859.db2.gz DKNZAFLFKAKLSH-YVEFUNNKSA-N 0 0 316.357 3.339 20 10 DGCDRN CCOCCC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000273506561 286049641 /nfs/dbraw/zinc/04/96/41/286049641.db2.gz QZODGHUXOHQCFR-GFCCVEGCSA-N 0 0 308.378 3.158 20 10 DGCDRN COc1cc(F)cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273459252 286226214 /nfs/dbraw/zinc/22/62/14/286226214.db2.gz HSXGBFGYDUWUKM-JTQLQIEISA-N 0 0 320.320 3.299 20 10 DGCDRN C[C@@H]1CC=CC[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000341345778 287240416 /nfs/dbraw/zinc/24/04/16/287240416.db2.gz AYNOAXULRLYTSY-HIFRSBDPSA-N 0 0 300.402 3.080 20 10 DGCDRN Cc1ccc(C(=O)N2C[C@H](c3ccccc3)C[C@H]2C)c(O)c1O ZINC000182453010 432189735 /nfs/dbraw/zinc/18/97/35/432189735.db2.gz ZPJFBVKAUSVANG-UKRRQHHQSA-N 0 0 311.381 3.424 20 10 DGCDRN CC[C@@H](C)OCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000269684316 432197341 /nfs/dbraw/zinc/19/73/41/432197341.db2.gz GJNWTAFKBMQEMY-CQSZACIVSA-N 0 0 304.434 3.059 20 10 DGCDRN CC(C)[C@@H](C)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000172229927 432204033 /nfs/dbraw/zinc/20/40/33/432204033.db2.gz TXUGYWVUWSOMKU-ZBFHGGJFSA-N 0 0 305.418 3.192 20 10 DGCDRN CCOC[C@H](O)CN(Cc1cccs1)c1ccc(OC)cc1 ZINC000269738493 432204080 /nfs/dbraw/zinc/20/40/80/432204080.db2.gz WNENXDCGACPOFE-OAHLLOKOSA-N 0 0 321.442 3.161 20 10 DGCDRN CCOC[C@@H](O)CN(Cc1cccs1)c1ccc(OC)cc1 ZINC000269738491 432204241 /nfs/dbraw/zinc/20/42/41/432204241.db2.gz WNENXDCGACPOFE-HNNXBMFYSA-N 0 0 321.442 3.161 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@](C)(O)C1CC1 ZINC000270024671 432227405 /nfs/dbraw/zinc/22/74/05/432227405.db2.gz JZNRJYVQYPDKMY-IBGZPJMESA-N 0 0 318.461 3.041 20 10 DGCDRN O=C(NCc1ccccc1O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000133753007 227038637 /nfs/dbraw/zinc/03/86/37/227038637.db2.gz OSACLNMHICHLIS-PWSUYJOCSA-N 0 0 301.308 3.377 20 10 DGCDRN Cc1onc(-c2ccccn2)c1C(=O)N(C)Cc1ccccc1O ZINC000135034443 227044928 /nfs/dbraw/zinc/04/49/28/227044928.db2.gz OAKHENRBACHRKQ-UHFFFAOYSA-N 0 0 323.352 3.023 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000179849736 228353614 /nfs/dbraw/zinc/35/36/14/228353614.db2.gz XMPYUTNUVNJVNL-UHFFFAOYSA-N 0 0 323.849 3.214 20 10 DGCDRN Cc1ccccc1C1(C(=O)NCc2ccc(O)c(O)c2)CCC1 ZINC000276585430 228705497 /nfs/dbraw/zinc/70/54/97/228705497.db2.gz YSDPUMMQGACGOJ-UHFFFAOYSA-N 0 0 311.381 3.144 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)CC[C@@H]1CCCO1 ZINC000348656932 229205284 /nfs/dbraw/zinc/20/52/84/229205284.db2.gz BAPJFSQQHDONRQ-AWEZNQCLSA-N 0 0 300.402 3.062 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccnn1C(C)C ZINC000348669159 229205423 /nfs/dbraw/zinc/20/54/23/229205423.db2.gz UXBPVOZISFLTJH-UHFFFAOYSA-N 0 0 310.401 3.194 20 10 DGCDRN Cc1cc(C(=O)NCc2c(C)c3ccccc3n2C)c(C)n1C ZINC000352125884 229243987 /nfs/dbraw/zinc/24/39/87/229243987.db2.gz NKTXPQJSMJIMNO-UHFFFAOYSA-N 0 0 309.413 3.372 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000373853318 229558990 /nfs/dbraw/zinc/55/89/90/229558990.db2.gz XQQMJXJUJYBXMA-CQSZACIVSA-N 0 0 319.307 3.353 20 10 DGCDRN C[C@](O)(C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C(F)(F)F ZINC000270478139 432250165 /nfs/dbraw/zinc/25/01/65/432250165.db2.gz IXLABJLYTCXTNO-JTQLQIEISA-N 0 0 318.122 3.102 20 10 DGCDRN COCCSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000247862002 432252552 /nfs/dbraw/zinc/25/25/52/432252552.db2.gz WGLAYHPPXVQERS-OAHLLOKOSA-N 0 0 318.442 3.468 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(C2CC2)cn1 ZINC000446030804 276885351 /nfs/dbraw/zinc/88/53/51/276885351.db2.gz XNHFPTRYUKYHRI-UHFFFAOYSA-N 0 0 323.396 3.064 20 10 DGCDRN CC[C@H]([NH2+]CCC(=O)N(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000287882889 288038518 /nfs/dbraw/zinc/03/85/18/288038518.db2.gz YNXWJXYMIOEXPG-LBPRGKRZSA-N 0 0 319.232 3.218 20 10 DGCDRN CC[C@H]([NH2+][C@@H](COC)[C@H]1CCCO1)c1cccc(Cl)c1[O-] ZINC000286972014 288063754 /nfs/dbraw/zinc/06/37/54/288063754.db2.gz IMJVGBIAAUGUTI-SOUVJXGZSA-N 0 0 313.825 3.280 20 10 DGCDRN CCc1ccc(CCC(=O)NCc2cccc(OC)c2O)cc1 ZINC000068488533 431133583 /nfs/dbraw/zinc/13/35/83/431133583.db2.gz AUBRDMMYHMGCPE-UHFFFAOYSA-N 0 0 313.397 3.212 20 10 DGCDRN CN(C)c1ccc(CNc2cc(N3CCCCC3)ncn2)cc1 ZINC000110117550 431183313 /nfs/dbraw/zinc/18/33/13/431183313.db2.gz ZVAKZMPNRLHOEJ-UHFFFAOYSA-N 0 0 311.433 3.145 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)CC[C@H]2CCCCO2)cc1 ZINC000110611841 431191966 /nfs/dbraw/zinc/19/19/66/431191966.db2.gz FIMCUZMHKOMZFP-QGZVFWFLSA-N 0 0 304.434 3.060 20 10 DGCDRN O=C([C@@H]1CC=CCC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000071798975 431291110 /nfs/dbraw/zinc/29/11/10/431291110.db2.gz NUZAYUFCUMOLRC-NVXWUHKLSA-N 0 0 315.413 3.256 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)C[C@H]1OCCc2ccccc21 ZINC000115710027 431470962 /nfs/dbraw/zinc/47/09/62/431470962.db2.gz HZMICLSQISCJON-GOSISDBHSA-N 0 0 311.381 3.055 20 10 DGCDRN CS[C@H]1CCC[C@H](NC(=O)N(C)Cc2ccccc2O)C1 ZINC000117508147 431564444 /nfs/dbraw/zinc/56/44/44/431564444.db2.gz KJWYQQBESOLTLN-KBPBESRZSA-N 0 0 308.447 3.208 20 10 DGCDRN Cc1cccc(N(C)C(=O)/C=C/c2cnc3ccccc3n2)n1 ZINC000118666362 431612148 /nfs/dbraw/zinc/61/21/48/431612148.db2.gz KSUILXPISZGOAL-ZHACJKMWSA-N 0 0 304.353 3.009 20 10 DGCDRN Cn1cc(C[N@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC000119699763 431713189 /nfs/dbraw/zinc/71/31/89/431713189.db2.gz BCGYGAFLIPXWCH-UHFFFAOYSA-N 0 0 300.189 3.065 20 10 DGCDRN CN(Cc1cscn1)Cc1cc(Br)ccc1O ZINC000120195899 431725330 /nfs/dbraw/zinc/72/53/30/431725330.db2.gz PZUCJQNETZWXGW-UHFFFAOYSA-N 0 0 313.220 3.243 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cccnc1Cl ZINC000120566730 431731280 /nfs/dbraw/zinc/73/12/80/431731280.db2.gz QXHRTUXJSISYEM-UHFFFAOYSA-N 0 0 304.777 3.493 20 10 DGCDRN CO[C@H](C)c1nc(CN(C)c2ccc3c(c2)OCO3)cs1 ZINC000121266627 431761881 /nfs/dbraw/zinc/76/18/81/431761881.db2.gz WDBWNWYMOYEUPY-SNVBAGLBSA-N 0 0 306.387 3.216 20 10 DGCDRN CCOc1cccc(CNc2cccc(-c3nncn3C)c2)c1O ZINC000122643260 431840431 /nfs/dbraw/zinc/84/04/31/431840431.db2.gz MMDDCSSLJRKILR-UHFFFAOYSA-N 0 0 324.384 3.199 20 10 DGCDRN CC1(C)CCC(CC(=O)NCCc2ccc(O)c(O)c2)CC1 ZINC000122208669 431820976 /nfs/dbraw/zinc/82/09/76/431820976.db2.gz OVHHESNLXVMDTI-UHFFFAOYSA-N 0 0 305.418 3.363 20 10 DGCDRN Cc1cc(N(C)C)ccc1NC(=O)N(C)Cc1ccccc1O ZINC000047520732 431911012 /nfs/dbraw/zinc/91/10/12/431911012.db2.gz NGURYPHGBPYESO-UHFFFAOYSA-N 0 0 313.401 3.431 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CCc3ccccc32)cc1 ZINC000054401508 431971064 /nfs/dbraw/zinc/97/10/64/431971064.db2.gz JIMWDOGNGLRZJP-GOSISDBHSA-N 0 0 309.413 3.239 20 10 DGCDRN CCC[C@@H](C)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000248271598 432276955 /nfs/dbraw/zinc/27/69/55/432276955.db2.gz QGEBKGVEJRGEGO-GDBMZVCRSA-N 0 0 305.418 3.336 20 10 DGCDRN C[C@H](CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC000183426646 432293556 /nfs/dbraw/zinc/29/35/56/432293556.db2.gz HOWWJFPBKPAZOJ-KGLIPLIRSA-N 0 0 313.397 3.339 20 10 DGCDRN CCOCCNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000173720331 432296771 /nfs/dbraw/zinc/29/67/71/432296771.db2.gz NBXHJINWVYPDTN-UHFFFAOYSA-N 0 0 320.433 3.273 20 10 DGCDRN Cc1nc(C)c(C(=O)NCc2ccc3c(c2)CCCN3C)s1 ZINC000058769039 431997912 /nfs/dbraw/zinc/99/79/12/431997912.db2.gz PNAPSKDXQMKGBU-UHFFFAOYSA-N 0 0 315.442 3.072 20 10 DGCDRN CC[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccncc1 ZINC000173183867 432262869 /nfs/dbraw/zinc/26/28/69/432262869.db2.gz FMEDNQWVXXLNIE-QGZVFWFLSA-N 0 0 312.417 3.098 20 10 DGCDRN Cc1cccc(CCC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000173203970 432263015 /nfs/dbraw/zinc/26/30/15/432263015.db2.gz FMYAOYLKGNMZFZ-UHFFFAOYSA-N 0 0 324.424 3.419 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)c2cccc(F)n2)C2CC2)cc1 ZINC000271054312 432322807 /nfs/dbraw/zinc/32/28/07/432322807.db2.gz TZPZSEVKAOFULL-UHFFFAOYSA-N 0 0 313.376 3.092 20 10 DGCDRN C[C@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C[C@H]1n1ccnc1 ZINC000248892528 432327731 /nfs/dbraw/zinc/32/77/31/432327731.db2.gz SJPKRNAHUGEQES-SMDDNHRTSA-N 0 0 323.799 3.464 20 10 DGCDRN C[C@@H]1[C@@H](C)[S@@](=O)CCN1Cc1ccc(N2CCCCC2)cc1 ZINC000271195529 432351677 /nfs/dbraw/zinc/35/16/77/432351677.db2.gz NIRJHIIQGXVDPY-MCFFVMPBSA-N 0 0 320.502 3.018 20 10 DGCDRN C[C@](O)(C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1ccco1 ZINC000174532393 432354088 /nfs/dbraw/zinc/35/40/88/432354088.db2.gz KRPCTVAKKFCLOQ-AWEZNQCLSA-N 0 0 316.184 3.289 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCO[C@@H](C)C2)cc1 ZINC000271321007 432374739 /nfs/dbraw/zinc/37/47/39/432374739.db2.gz YRPOXUKYSRUIMB-RDJZCZTQSA-N 0 0 312.413 3.391 20 10 DGCDRN CS[C@H](C)CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000152875942 432365552 /nfs/dbraw/zinc/36/55/52/432365552.db2.gz XDMOSKQDGQTBDF-UKRRQHHQSA-N 0 0 323.458 3.041 20 10 DGCDRN CCCCN(CC(F)(F)F)C(=O)c1ccc(C)c(O)c1O ZINC000271273527 432367019 /nfs/dbraw/zinc/36/70/19/432367019.db2.gz MKBSLYBPQPKPIQ-UHFFFAOYSA-N 0 0 305.296 3.211 20 10 DGCDRN C[C@H]([NH2+]CCCN(C)CC(F)(F)F)c1ccc(F)cc1[O-] ZINC000185026815 432458014 /nfs/dbraw/zinc/45/80/14/432458014.db2.gz PGRUQESMJQRSOA-JTQLQIEISA-N 0 0 308.319 3.066 20 10 DGCDRN CCc1nnc([C@H](C)N[C@H](C)c2ccc(N(C)CC)cc2)[nH]1 ZINC000271499368 432408583 /nfs/dbraw/zinc/40/85/83/432408583.db2.gz LXAJAVRPURYCRJ-OLZOCXBDSA-N 0 0 301.438 3.235 20 10 DGCDRN CC[C@@H](Oc1ccccc1F)C(=O)N(C)Cc1ccccc1O ZINC000175345765 432426382 /nfs/dbraw/zinc/42/63/82/432426382.db2.gz FRWXWXSOYOCLNT-MRXNPFEDSA-N 0 0 317.360 3.347 20 10 DGCDRN Cc1cc([C@](C)(O)C[NH2+]Cc2cccc(Cl)c2[O-])c(C)o1 ZINC000271871313 432426402 /nfs/dbraw/zinc/42/64/02/432426402.db2.gz XTDPQQIUSRKMOY-MRXNPFEDSA-N 0 0 309.793 3.253 20 10 DGCDRN CCC(CC)[C@H]1C[C@@H](NC(=O)NCc2ccccc2O)CCO1 ZINC000272351378 432487484 /nfs/dbraw/zinc/48/74/84/432487484.db2.gz QVFRFVLAENVMBQ-DOTOQJQBSA-N 0 0 320.433 3.175 20 10 DGCDRN CCC(CC)[C@H]1C[C@H](NC(=O)NCc2ccccc2O)CCO1 ZINC000272351383 432488095 /nfs/dbraw/zinc/48/80/95/432488095.db2.gz QVFRFVLAENVMBQ-NVXWUHKLSA-N 0 0 320.433 3.175 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCCCCO ZINC000193298779 432463214 /nfs/dbraw/zinc/46/32/14/432463214.db2.gz YZCYXYANBOMLFA-UHFFFAOYSA-N 0 0 306.431 3.048 20 10 DGCDRN Cc1cnc([C@H](C)NC(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000176361403 432515110 /nfs/dbraw/zinc/51/51/10/432515110.db2.gz KBOCVRGVEABHDF-LBPRGKRZSA-N 0 0 318.446 3.078 20 10 DGCDRN C[C@H](N(C)C(=O)NCc1ccc(N2CC=CC2)cc1)C1(C)CC1 ZINC000176541960 432532971 /nfs/dbraw/zinc/53/29/71/432532971.db2.gz SWQBBLVMGLKYAH-HNNXBMFYSA-N 0 0 313.445 3.393 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCC1(SC)CC1 ZINC000195156125 432609362 /nfs/dbraw/zinc/60/93/62/432609362.db2.gz CBBLJXBEXKREMU-UHFFFAOYSA-N 0 0 308.447 3.209 20 10 DGCDRN Cc1n[nH]c(CC[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])n1 ZINC000273480561 432604217 /nfs/dbraw/zinc/60/42/17/432604217.db2.gz ULOPJBUBSSTKGQ-SSDOTTSWSA-N 0 0 315.204 3.019 20 10 DGCDRN C[C@H]1CCC[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000264340013 432637496 /nfs/dbraw/zinc/63/74/96/432637496.db2.gz WEZXDMDZPWSXMW-WMLDXEAASA-N 0 0 301.434 3.275 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCC[C@H]1CCc1ccccc1 ZINC000186988351 432641918 /nfs/dbraw/zinc/64/19/18/432641918.db2.gz IEKKZKUGAVBNOJ-HNNXBMFYSA-N 0 0 311.381 3.335 20 10 DGCDRN Nc1ccc(CNC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000216271008 432650044 /nfs/dbraw/zinc/65/00/44/432650044.db2.gz GBUKIRWXQUSKHH-NWDGAFQWSA-N 0 0 300.324 3.254 20 10 DGCDRN COc1cc(O)c(C[N@@H+]2CC[C@@H](c3ccccc3)C2)cc1OC ZINC000160035162 432704890 /nfs/dbraw/zinc/70/48/90/432704890.db2.gz WEWKLHCZIDRSOB-OAHLLOKOSA-N 0 0 313.397 3.399 20 10 DGCDRN CC[C@@H](Nc1cccc(N2CCNC2=O)c1)c1ccccc1O ZINC000274769501 432707385 /nfs/dbraw/zinc/70/73/85/432707385.db2.gz MGKKALSCJULUHH-MRXNPFEDSA-N 0 0 311.385 3.485 20 10 DGCDRN CC[C@@H]([NH2+]Cc1ccccc1Cn1cncn1)c1ccccc1O ZINC000274910467 432718286 /nfs/dbraw/zinc/71/82/86/432718286.db2.gz MYOVOCUHIHXTKC-GOSISDBHSA-N 0 0 322.412 3.273 20 10 DGCDRN C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000187748103 432681774 /nfs/dbraw/zinc/68/17/74/432681774.db2.gz IPZQRMZOZMTSEF-WCQYABFASA-N 0 0 307.340 3.097 20 10 DGCDRN CCNC(=O)c1ccc(C)c(NCc2cc(OC)ccc2O)c1 ZINC000236954752 432771996 /nfs/dbraw/zinc/77/19/96/432771996.db2.gz FQXLPUXHPWWZHR-UHFFFAOYSA-N 0 0 314.385 3.071 20 10 DGCDRN C[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1ccc(F)c(F)c1[O-] ZINC000276901120 432827075 /nfs/dbraw/zinc/82/70/75/432827075.db2.gz JBMBRIBERQDIAX-LKFCYVNXSA-N 0 0 311.303 3.194 20 10 DGCDRN C[C@H]([NH2+]Cc1cn2c(n1)CCCC2)c1ccc(F)c(F)c1[O-] ZINC000276957873 432828224 /nfs/dbraw/zinc/82/82/24/432828224.db2.gz RLDNQDPPNULZJJ-JTQLQIEISA-N 0 0 307.344 3.054 20 10 DGCDRN CC(C)Oc1ccc(N(C)C[C@H]2CC3(CCC3)C(=O)O2)cc1 ZINC000277116872 432829733 /nfs/dbraw/zinc/82/97/33/432829733.db2.gz HLZDAEOCDWRRIH-MRXNPFEDSA-N 0 0 303.402 3.396 20 10 DGCDRN CC(C)=CCCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277152166 432830547 /nfs/dbraw/zinc/83/05/47/432830547.db2.gz BFUCMXBIBNQEMW-UHFFFAOYSA-N 0 0 322.792 3.166 20 10 DGCDRN CCCC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000277299721 432835146 /nfs/dbraw/zinc/83/51/46/432835146.db2.gz MWUJVBGLCSTTEB-QGZVFWFLSA-N 0 0 304.434 3.410 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CC(C)(C)CC(C)=O ZINC000276432681 432807900 /nfs/dbraw/zinc/80/79/00/432807900.db2.gz FZFIERXFFCXGDA-UHFFFAOYSA-N 0 0 318.461 3.497 20 10 DGCDRN Oc1ccc(Cl)cc1C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000238063131 432811162 /nfs/dbraw/zinc/81/11/62/432811162.db2.gz HYZLHGFNAJYKOY-UHFFFAOYSA-N 0 0 317.820 3.199 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCCC(O)(CC)CC ZINC000276490729 432811441 /nfs/dbraw/zinc/81/14/41/432811441.db2.gz PSLGQNOYEJFCOD-UHFFFAOYSA-N 0 0 322.449 3.255 20 10 DGCDRN CCN1C(=O)/C(=C/c2ccc(N(C)C(C)C)nc2)SC1=S ZINC000276523939 432815525 /nfs/dbraw/zinc/81/55/25/432815525.db2.gz BHEMQRQBQFDOED-WQLSENKSSA-N 0 0 321.471 3.147 20 10 DGCDRN COc1ccc2c(c1)[C@@H](C(=O)N(C)Cc1ccccc1O)CC2 ZINC000277607269 432864004 /nfs/dbraw/zinc/86/40/04/432864004.db2.gz IDAVEANUVIESSA-INIZCTEOSA-N 0 0 311.381 3.089 20 10 DGCDRN CC(F)(F)CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000296231135 432886388 /nfs/dbraw/zinc/88/63/88/432886388.db2.gz GIYRMYDLBLHTAN-UHFFFAOYSA-N 0 0 311.376 3.131 20 10 DGCDRN C[C@H]([NH2+]CCc1cnn(C)c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278220483 432890035 /nfs/dbraw/zinc/89/00/35/432890035.db2.gz IWWANVVHRCHFGT-VIFPVBQESA-N 0 0 314.216 3.326 20 10 DGCDRN CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2cc(C)c(C)cc2O)[nH]1 ZINC000277469724 432852775 /nfs/dbraw/zinc/85/27/75/432852775.db2.gz RJIOPGFPZOLFKN-ZWNOBZJWSA-N 0 0 302.422 3.491 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)CCCO)c(C)n1-c1cccc(C)c1 ZINC000268205216 432855863 /nfs/dbraw/zinc/85/58/63/432855863.db2.gz GVXUVPRKHJHQQR-AWEZNQCLSA-N 0 0 314.429 3.293 20 10 DGCDRN Cc1cc(C(=O)NCCC[C@H](C)O)c(C)n1-c1cccc(C)c1 ZINC000279142048 432939557 /nfs/dbraw/zinc/93/95/57/432939557.db2.gz OMHSKMYVRBEUCX-HNNXBMFYSA-N 0 0 314.429 3.293 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278917841 432916851 /nfs/dbraw/zinc/91/68/51/432916851.db2.gz ULQKVFKAKGWORG-NSHDSACASA-N 0 0 302.330 3.160 20 10 DGCDRN C[C@@H]([NH2+]CCc1cn[nH]c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000289652533 432971054 /nfs/dbraw/zinc/97/10/54/432971054.db2.gz GHXMQPAMAXYQMP-MRVPVSSYSA-N 0 0 300.189 3.315 20 10 DGCDRN CCOCc1nc([C@@H](C)N[C@H](CC)c2ccc(F)cc2O)no1 ZINC000290034573 432982393 /nfs/dbraw/zinc/98/23/93/432982393.db2.gz DCQVDKYKMDZPJG-ZWNOBZJWSA-N 0 0 323.368 3.253 20 10 DGCDRN Nc1ccccc1CCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000279681522 432991739 /nfs/dbraw/zinc/99/17/39/432991739.db2.gz ALVLHNCQNWOITJ-UHFFFAOYSA-N 0 0 323.440 3.118 20 10 DGCDRN CCOCc1nc([C@@H](C)N[C@@H](C)c2cc(C)ccc2O)no1 ZINC000290113705 432994444 /nfs/dbraw/zinc/99/44/44/432994444.db2.gz IWZZQKZJWYZALU-NWDGAFQWSA-N 0 0 305.378 3.032 20 10 DGCDRN CCOCc1nc([C@@H](C)N[C@H](CC)c2ccccc2O)no1 ZINC000290140796 433000672 /nfs/dbraw/zinc/00/06/72/433000672.db2.gz KQIUWMQZFADWPY-DGCLKSJQSA-N 0 0 305.378 3.114 20 10 DGCDRN CCOCc1nc([C@@H](C)N[C@@H](CC)c2ccc(C)cc2O)no1 ZINC000290183162 433009437 /nfs/dbraw/zinc/00/94/37/433009437.db2.gz NSGXJGGFGNQJBD-OCCSQVGLSA-N 0 0 319.405 3.422 20 10 DGCDRN CCOC(=O)c1cc(NCc2cccc(Cl)c2O)cn1C ZINC000290368521 433039931 /nfs/dbraw/zinc/03/99/31/433039931.db2.gz HHROXBVSXHBINT-UHFFFAOYSA-N 0 0 308.765 3.173 20 10 DGCDRN O=C1O[C@@H](CN2CCCc3cc(OC(F)F)ccc32)CC12CC2 ZINC000373012944 433073295 /nfs/dbraw/zinc/07/32/95/433073295.db2.gz JMPZGCFUKZEAOR-CYBMUJFWSA-N 0 0 323.339 3.136 20 10 DGCDRN C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000290587022 433105982 /nfs/dbraw/zinc/10/59/82/433105982.db2.gz VAXYGNJOAAFNHZ-YGRLFVJLSA-N 0 0 317.260 3.471 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000373853317 433165497 /nfs/dbraw/zinc/16/54/97/433165497.db2.gz XQQMJXJUJYBXMA-AWEZNQCLSA-N 0 0 319.307 3.353 20 10 DGCDRN COc1ccc(CN[C@@H](C)c2noc(COC(C)C)n2)cc1C ZINC000290838463 433186969 /nfs/dbraw/zinc/18/69/69/433186969.db2.gz ICEYVHUEIAWLLQ-ZDUSSCGKSA-N 0 0 319.405 3.162 20 10 DGCDRN COc1cccc(CNc2cccc(-c3nnc(C)n3C)c2)c1O ZINC000361798382 433394225 /nfs/dbraw/zinc/39/42/25/433394225.db2.gz KKSROGMJGGEOGX-UHFFFAOYSA-N 0 0 324.384 3.117 20 10 DGCDRN C[N@@H+]1CC[C@H]2CCN(Cc3cc(Cl)cc(Cl)c3[O-])[C@@H]2C1 ZINC000272589080 290232423 /nfs/dbraw/zinc/23/24/23/290232423.db2.gz HQLLOZACRFTKTM-IINYFYTJSA-N 0 0 315.244 3.225 20 10 DGCDRN Cc1ccnc(NCCCSc2nccs2)c1[N+](=O)[O-] ZINC000301259547 433476532 /nfs/dbraw/zinc/47/65/32/433476532.db2.gz FEGWMWUPJWYTPG-UHFFFAOYSA-N 0 0 310.404 3.349 20 10 DGCDRN CN(C)c1ccc(CNc2ccc(N3CCC3=O)cc2)cc1F ZINC000282168357 433520352 /nfs/dbraw/zinc/52/03/52/433520352.db2.gz JBUKOXVRJBSQDX-UHFFFAOYSA-N 0 0 313.376 3.241 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ncc(Br)cn1 ZINC000301306860 433497407 /nfs/dbraw/zinc/49/74/07/433497407.db2.gz VEWVZARNGZWTMQ-UHFFFAOYSA-N 0 0 321.222 3.226 20 10 DGCDRN Cc1ccnc(NCc2ccc(N3CC=CC3)cc2)c1[N+](=O)[O-] ZINC000301325291 433507453 /nfs/dbraw/zinc/50/74/53/433507453.db2.gz AKTAKRWSRHKETF-UHFFFAOYSA-N 0 0 310.357 3.287 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCCC(F)(F)C1 ZINC000282304319 433559195 /nfs/dbraw/zinc/55/91/95/433559195.db2.gz SPKOLJDQJABSTK-FVOPLDGLSA-N 0 0 311.328 3.053 20 10 DGCDRN CC1(C)CN(Cc2cc3c(cc2O)OCO3)[C@@H]1c1ccncc1 ZINC000292353696 433559366 /nfs/dbraw/zinc/55/93/66/433559366.db2.gz FGQMMXOFFVJRIH-QGZVFWFLSA-N 0 0 312.369 3.099 20 10 DGCDRN O=C(c1ccccc1)N1CC[C@H](CSc2nccs2)C1 ZINC000282259199 433547979 /nfs/dbraw/zinc/54/79/79/433547979.db2.gz RZUCTRGWCWYNHI-LBPRGKRZSA-N 0 0 304.440 3.398 20 10 DGCDRN Cc1cc(C)cc([C@H](O)C[NH2+]Cc2cccc(Cl)c2[O-])c1 ZINC000282978241 433643356 /nfs/dbraw/zinc/64/33/56/433643356.db2.gz JBCDKNDBTDIGPT-MRXNPFEDSA-N 0 0 305.805 3.486 20 10 DGCDRN COCc1cc(NCc2cc(C)ccc2O)cc(C(=O)OC)c1 ZINC000292803772 433597500 /nfs/dbraw/zinc/59/75/00/433597500.db2.gz NUZRTFMEJVMLKY-UHFFFAOYSA-N 0 0 315.369 3.246 20 10 DGCDRN CCCCN(Cc1nc([C@@H](C)OC)no1)Cc1ccccc1O ZINC000282545946 433615928 /nfs/dbraw/zinc/61/59/28/433615928.db2.gz WMMVTYZQFZEGGM-CYBMUJFWSA-N 0 0 319.405 3.285 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cn2ccccc2n1 ZINC000282565637 433619311 /nfs/dbraw/zinc/61/93/11/433619311.db2.gz UQOMUCQCQXUQAS-UHFFFAOYSA-N 0 0 323.396 3.482 20 10 DGCDRN C[C@@H](NCc1ncnn1C(C)(C)C)c1cc(Cl)ccc1O ZINC000282658906 433623358 /nfs/dbraw/zinc/62/33/58/433623358.db2.gz IILIVWABXZNPCI-SNVBAGLBSA-N 0 0 308.813 3.243 20 10 DGCDRN Cc1onc(-c2cccnc2)c1C(=O)N1CCc2c1cccc2F ZINC000376097621 433662153 /nfs/dbraw/zinc/66/21/53/433662153.db2.gz ZSGKMYJEUPAIOZ-UHFFFAOYSA-N 0 0 323.327 3.387 20 10 DGCDRN CO[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2cnccc2C)C1 ZINC000283176129 433686970 /nfs/dbraw/zinc/68/69/70/433686970.db2.gz DTTWRMMZDVDLJD-IWAYRVGRSA-N 0 0 308.381 3.008 20 10 DGCDRN CO[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2cncc(C)c2)C1 ZINC000283199359 433689829 /nfs/dbraw/zinc/68/98/29/433689829.db2.gz GIIXMBMBVIJUKM-IWAYRVGRSA-N 0 0 308.381 3.008 20 10 DGCDRN Cc1nc(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])sc1C ZINC000273609597 293258037 /nfs/dbraw/zinc/25/80/37/293258037.db2.gz VIBVOGCRIBGFKA-SNVBAGLBSA-N 0 0 321.402 3.267 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ncoc1C1CC1 ZINC000293415474 433733873 /nfs/dbraw/zinc/73/38/73/433733873.db2.gz ZHQWHXWKXNBNQD-UHFFFAOYSA-N 0 0 313.401 3.280 20 10 DGCDRN CN(Cc1ccccc1O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000301891655 433780986 /nfs/dbraw/zinc/78/09/86/433780986.db2.gz VBZVWBBRHFJCPL-UHFFFAOYSA-N 0 0 309.325 3.485 20 10 DGCDRN CCc1ncnc(NCc2c(O)ccc3c2CCCC3)c1F ZINC000301894819 433781916 /nfs/dbraw/zinc/78/19/16/433781916.db2.gz BDZJZGBLZRZHOS-UHFFFAOYSA-N 0 0 301.365 3.375 20 10 DGCDRN COc1cccc(CNc2nc(-c3ccc(C)cc3)no2)c1O ZINC000302081299 433812405 /nfs/dbraw/zinc/81/24/05/433812405.db2.gz XUYYHSVJVOXYJB-UHFFFAOYSA-N 0 0 311.341 3.371 20 10 DGCDRN CC1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1c1ccncc1 ZINC000294082546 433988126 /nfs/dbraw/zinc/98/81/26/433988126.db2.gz XIJFDTGYOSHLOU-MJICGBHWSA-N 0 0 324.380 3.116 20 10 DGCDRN O=C(C=Cc1c[nH]cn1)N1CCCc2c(OC(F)F)cccc21 ZINC000294147712 434016114 /nfs/dbraw/zinc/01/61/14/434016114.db2.gz MDHWPNDEGHRLLG-VOTSOKGWSA-N 0 0 319.311 3.004 20 10 DGCDRN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1c(F)ccc(O)c1O ZINC000294762134 434137463 /nfs/dbraw/zinc/13/74/63/434137463.db2.gz BHIZUIDIHLIGQF-YPMHNXCESA-N 0 0 315.344 3.255 20 10 DGCDRN Cc1ccccc1[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000294799472 434147399 /nfs/dbraw/zinc/14/73/99/434147399.db2.gz DXRNLTMNLUYHPL-LBPRGKRZSA-N 0 0 315.344 3.175 20 10 DGCDRN COc1ccc(N(C[C@H](O)c2cccnc2)[C@H](C)C2CC2)cc1 ZINC000294951329 434155345 /nfs/dbraw/zinc/15/53/45/434155345.db2.gz MOIKPYOLIOQISP-KUHUBIRLSA-N 0 0 312.413 3.429 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1c(O)cccc1F ZINC000436985693 434191272 /nfs/dbraw/zinc/19/12/72/434191272.db2.gz FODBHZAACWRMRY-UHFFFAOYSA-N 0 0 312.344 3.261 20 10 DGCDRN CCc1nc(CSc2ncc(C(=O)OC)s2)cs1 ZINC000295153377 434232661 /nfs/dbraw/zinc/23/26/61/434232661.db2.gz FQOVWOMLIPAHDH-UHFFFAOYSA-N 0 0 300.430 3.241 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC=C(c2ccccc2)C1 ZINC000378603339 434235343 /nfs/dbraw/zinc/23/53/43/434235343.db2.gz CLIFIJUVSUZIHR-VQHVLOKHSA-N 0 0 307.349 3.037 20 10 DGCDRN COC(=O)c1cnc(SCC[C@H](O)c2ccccc2)s1 ZINC000295275303 434288514 /nfs/dbraw/zinc/28/85/14/434288514.db2.gz JZLKTOCOJKCRBN-NSHDSACASA-N 0 0 309.412 3.146 20 10 DGCDRN COCC1(C(=O)NCc2c(C)c3ccccc3n2C)CCCC1 ZINC000457759628 434333134 /nfs/dbraw/zinc/33/31/34/434333134.db2.gz GZIPSOIXHSKPTM-UHFFFAOYSA-N 0 0 314.429 3.310 20 10 DGCDRN Cc1cc(C(=O)NC[C@H](C)CCCO)c(C)n1-c1ccccc1 ZINC000295411362 434351004 /nfs/dbraw/zinc/35/10/04/434351004.db2.gz LCQKPQMASVTLSH-CQSZACIVSA-N 0 0 314.429 3.233 20 10 DGCDRN COc1ccc(CNC(=O)[C@H]2C[C@H]2c2sccc2C)c(O)c1 ZINC000366543038 434446359 /nfs/dbraw/zinc/44/63/59/434446359.db2.gz ZDVXPFIYWUWFCK-KGLIPLIRSA-N 0 0 317.410 3.191 20 10 DGCDRN CCC(=O)N1CC[C@H]([NH2+][C@@H](CC)c2cccc(Cl)c2[O-])C1 ZINC000287771637 434447610 /nfs/dbraw/zinc/44/76/10/434447610.db2.gz RNLWAGYBGULVSC-FZMZJTMJSA-N 0 0 310.825 3.097 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000295714622 434432647 /nfs/dbraw/zinc/43/26/47/434432647.db2.gz KKJXBRUUJZBCBG-KYEXWDHISA-N 0 0 305.418 3.217 20 10 DGCDRN CCc1nnc(NCc2ccc(N(C)C)cc2C(F)(F)F)o1 ZINC000296138491 434522706 /nfs/dbraw/zinc/52/27/06/434522706.db2.gz WDGCMACPYMFJSQ-UHFFFAOYSA-N 0 0 314.311 3.329 20 10 DGCDRN CC[C@H]([NH2+][C@H]1CCc2nc(C)ncc2C1)c1ccc(F)cc1[O-] ZINC000367599893 434553291 /nfs/dbraw/zinc/55/32/91/434553291.db2.gz ILCJFBRUNRWKKN-HOCLYGCPSA-N 0 0 315.392 3.228 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000369462729 434596171 /nfs/dbraw/zinc/59/61/71/434596171.db2.gz MAXNBPVTYRUQSL-CQSZACIVSA-N 0 0 304.777 3.094 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1ccc(F)cc1[O-] ZINC000370372913 434612474 /nfs/dbraw/zinc/61/24/74/434612474.db2.gz GDHOZIJDSWMHQU-SJKOYZFVSA-N 0 0 300.377 3.369 20 10 DGCDRN CCN(CC)c1ccc(CN2CCC[C@H]2c2ncon2)cc1 ZINC000371373602 434682839 /nfs/dbraw/zinc/68/28/39/434682839.db2.gz NMKGJSSICVYZIC-INIZCTEOSA-N 0 0 300.406 3.253 20 10 DGCDRN CN(C)c1ccc(C[NH2+]Cc2ccccc2-c2cnn(C)c2)cc1 ZINC000372863529 434858660 /nfs/dbraw/zinc/85/86/60/434858660.db2.gz OUEIIJXVFYKDGW-UHFFFAOYSA-N 0 0 320.440 3.443 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C\c2cncc(C)c2)cc1OC ZINC000492234328 434940199 /nfs/dbraw/zinc/94/01/99/434940199.db2.gz VKKPBOVDNSIQJX-YVMONPNESA-N 0 0 312.369 3.083 20 10 DGCDRN CC(C)(C)c1ncc(/C=C\C(=O)N2CCc3ccncc32)s1 ZINC000492399932 434974304 /nfs/dbraw/zinc/97/43/04/434974304.db2.gz PUXUALUWWKKIKH-PLNGDYQASA-N 0 0 313.426 3.438 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)/C=C/c1cncc(F)c1 ZINC000492701029 435037465 /nfs/dbraw/zinc/03/74/65/435037465.db2.gz DRNZUELLCHYTSN-BQYQJAHWSA-N 0 0 323.371 3.350 20 10 DGCDRN COCCC1CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000529637985 435038265 /nfs/dbraw/zinc/03/82/65/435038265.db2.gz KUGFWMDUXXBNEO-UHFFFAOYSA-N 0 0 301.789 3.433 20 10 DGCDRN CCN(C(=O)C=Cc1c[nH]cn1)c1cccc(Br)c1 ZINC000492760453 435044969 /nfs/dbraw/zinc/04/49/69/435044969.db2.gz CNTLNQRPKZFPGV-VOTSOKGWSA-N 0 0 320.190 3.239 20 10 DGCDRN CN(C(=O)/C=C\c1ccc(Cl)nc1)c1cnc2ccccc2n1 ZINC000493294857 435143339 /nfs/dbraw/zinc/14/33/39/435143339.db2.gz OEHZHQOPZASVNH-CLFYSBASSA-N 0 0 324.771 3.354 20 10 DGCDRN Cc1c(/C=C/C(=O)N(C)c2ccc(Cl)cc2F)cnn1C ZINC000493515692 435187471 /nfs/dbraw/zinc/18/74/71/435187471.db2.gz FQAAKCFDXITLLN-QPJJXVBHSA-N 0 0 307.756 3.197 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccnn1CC(C)C ZINC000563169934 435266755 /nfs/dbraw/zinc/26/67/55/435266755.db2.gz GLFDQRBRJCVCEY-UHFFFAOYSA-N 0 0 324.428 3.269 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNc1ccc2c(n1)CCC2=O ZINC000584521924 435291205 /nfs/dbraw/zinc/29/12/05/435291205.db2.gz JYSLXKAVHIZMAJ-UHFFFAOYSA-N 0 0 305.381 3.623 20 10 DGCDRN Cc1cccc(C)c1CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000538556523 435507483 /nfs/dbraw/zinc/50/74/83/435507483.db2.gz LQAVERQPVZNQIL-UHFFFAOYSA-N 0 0 324.424 3.338 20 10 DGCDRN COc1cccc(N(CC(C)C)C(=O)/C=C\c2cnccn2)c1 ZINC000491120018 435706690 /nfs/dbraw/zinc/70/66/90/435706690.db2.gz QAPLSQSVMIDJAD-FPLPWBNLSA-N 0 0 311.385 3.188 20 10 DGCDRN CN(C(=O)/C=C/c1ccc(Cl)nc1)c1ccc2c(c1)OCO2 ZINC000179572867 331527290 /nfs/dbraw/zinc/52/72/90/331527290.db2.gz RSZNFOYTYQNEGS-XVNBXDOJSA-N 0 0 316.744 3.140 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccncc1 ZINC000272334711 334033382 /nfs/dbraw/zinc/03/33/82/334033382.db2.gz FZJXQQMNXVFZPT-UHFFFAOYSA-N 0 0 311.429 3.127 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1cccn1C ZINC000283685925 334140995 /nfs/dbraw/zinc/14/09/95/334140995.db2.gz NYOXJFYMMIYANZ-UHFFFAOYSA-N 0 0 315.417 3.243 20 10 DGCDRN COc1ccc(N2CCCN(c3ncc(C)s3)CC2)cc1 ZINC000302823423 336370641 /nfs/dbraw/zinc/37/06/41/336370641.db2.gz FRNKXCSURVQIAL-UHFFFAOYSA-N 0 0 303.431 3.177 20 10 DGCDRN C[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)c1ccccc1 ZINC000182946728 340486025 /nfs/dbraw/zinc/48/60/25/340486025.db2.gz DITPEZRQHCILOP-AWEZNQCLSA-N 0 0 310.397 3.282 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000528829560 340736132 /nfs/dbraw/zinc/73/61/32/340736132.db2.gz YBWVVNVXOZKWGW-WVZRYYJFSA-N 0 0 305.418 3.190 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@H](O)CC2)cc1 ZINC000294667801 533718661 /nfs/dbraw/zinc/71/86/61/533718661.db2.gz FFMLMSLQTOACOT-SFHVURJKSA-N 0 0 312.413 3.081 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCCCCO1 ZINC000568769088 341681184 /nfs/dbraw/zinc/68/11/84/341681184.db2.gz QEJPNXLGGDQLKE-UHFFFAOYSA-N 0 0 301.390 3.114 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCCO[C@@H](C)C2)cc1 ZINC000171276578 533719254 /nfs/dbraw/zinc/71/92/54/533719254.db2.gz JKYIPGZZTOWHCN-INIZCTEOSA-N 0 0 312.413 3.345 20 10 DGCDRN COc1cc(Cl)cc(CN2CCO[C@H](c3ccco3)C2)c1O ZINC000184701254 533953083 /nfs/dbraw/zinc/95/30/83/533953083.db2.gz VQAXAQSHMNTXOX-HNNXBMFYSA-N 0 0 323.776 3.221 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cc(C(C)C)n[nH]1 ZINC000352128332 533970387 /nfs/dbraw/zinc/97/03/87/533970387.db2.gz CMYRTHBNNAJQQN-UHFFFAOYSA-N 0 0 310.401 3.263 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CC[C@H](F)C1 ZINC000346291974 533971473 /nfs/dbraw/zinc/97/14/73/533971473.db2.gz AALXANBOSVRYPM-STQMWFEESA-N 0 0 303.381 3.177 20 10 DGCDRN Cc1ccc(C(=O)N(C)[C@@H]2CCc3ccccc3C2)c(O)c1O ZINC000179499384 534259926 /nfs/dbraw/zinc/25/99/26/534259926.db2.gz NXHIVYIYFUMONM-OAHLLOKOSA-N 0 0 311.381 3.036 20 10 DGCDRN CC(=O)c1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000268750059 518419937 /nfs/dbraw/zinc/41/99/37/518419937.db2.gz HHRAKHFTIBJIFD-UHFFFAOYSA-N 0 0 322.408 3.419 20 10 DGCDRN C[C@@H]1CN(C(=O)c2cccc(O)c2O)CC[C@H]1c1ccccc1 ZINC000185737825 534429774 /nfs/dbraw/zinc/42/97/74/534429774.db2.gz LWIFLQVGEYJTTD-UKRRQHHQSA-N 0 0 311.381 3.364 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)C(C)(C)C ZINC000265029425 519654883 /nfs/dbraw/zinc/65/48/83/519654883.db2.gz FPWFOMQJHXPVRO-UHFFFAOYSA-N 0 0 304.434 3.105 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1C[C@H]1C ZINC000266811522 519655096 /nfs/dbraw/zinc/65/50/96/519655096.db2.gz WHBFMNNWMYJLBP-GDBMZVCRSA-N 0 0 303.450 3.329 20 10 DGCDRN CCCOc1ccc(S(=O)(=O)Nc2ccc(O)cc2C)cc1 ZINC000266452660 520413057 /nfs/dbraw/zinc/41/30/57/520413057.db2.gz OQIRXHKDGBOVEW-UHFFFAOYSA-N 0 0 321.398 3.290 20 10 DGCDRN CC1(C)[C@@H]2CN(C(=O)NCc3ccc(N4CCCC4)cc3)C[C@@H]21 ZINC000175639414 520641850 /nfs/dbraw/zinc/64/18/50/520641850.db2.gz YLNVZGOISKDXKZ-CALCHBBNSA-N 0 0 313.445 3.084 20 10 DGCDRN CCCCOc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000159039258 520868679 /nfs/dbraw/zinc/86/86/79/520868679.db2.gz UIRZPIQWEZBLCX-UHFFFAOYSA-N 0 0 315.369 3.207 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccnc(F)c2F)cc1 ZINC000193515785 520902388 /nfs/dbraw/zinc/90/23/88/520902388.db2.gz WSVNBIKEMNMQMR-UHFFFAOYSA-N 0 0 319.355 3.136 20 10 DGCDRN CCOc1ccc(N(CC)Cc2nnc3n2CCCCC3)cc1 ZINC000264192680 521027953 /nfs/dbraw/zinc/02/79/53/521027953.db2.gz FSZQKXRPOGKGTQ-UHFFFAOYSA-N 0 0 314.433 3.430 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC(=O)C[C@H]1C ZINC000130414222 521689504 /nfs/dbraw/zinc/68/95/04/521689504.db2.gz SQVXDMYGPLFQAJ-CZUORRHYSA-N 0 0 303.402 3.136 20 10 DGCDRN CCc1cccc(S(=O)(=O)Nc2ccc(O)cc2CC)c1 ZINC000189428512 521784933 /nfs/dbraw/zinc/78/49/33/521784933.db2.gz BVPBSSNJTXFKHH-UHFFFAOYSA-N 0 0 305.399 3.318 20 10 DGCDRN COc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1F ZINC000268605047 522053869 /nfs/dbraw/zinc/05/38/69/522053869.db2.gz QBUKQMIYYXUWJS-UHFFFAOYSA-N 0 0 316.376 3.173 20 10 DGCDRN CC[C@H](CCO)CNC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000128082532 522141655 /nfs/dbraw/zinc/14/16/55/522141655.db2.gz MNXTUOWEBLJHHY-MRXNPFEDSA-N 0 0 314.429 3.233 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CSc3ccccc32)cc1 ZINC000118195708 522199007 /nfs/dbraw/zinc/19/90/07/522199007.db2.gz LXWVXWAAOCDINV-MRXNPFEDSA-N 0 0 312.438 3.258 20 10 DGCDRN CC[C@@H](C)Oc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000182531519 522262524 /nfs/dbraw/zinc/26/25/24/522262524.db2.gz DBBHJQYRCRXNGX-GFCCVEGCSA-N 0 0 315.369 3.205 20 10 DGCDRN COC[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccccc3)c2C)C1 ZINC000266069603 522471732 /nfs/dbraw/zinc/47/17/32/522471732.db2.gz WPJSEFQYGWTYEY-MRXNPFEDSA-N 0 0 312.413 3.203 20 10 DGCDRN COC[C@H]1CCN(C(=O)c2cc(C)n(-c3ccccc3)c2C)C1 ZINC000266069601 522841432 /nfs/dbraw/zinc/84/14/32/522841432.db2.gz WPJSEFQYGWTYEY-INIZCTEOSA-N 0 0 312.413 3.203 20 10 DGCDRN C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1cccc(Cl)c1[O-] ZINC000180503428 523277728 /nfs/dbraw/zinc/27/77/28/523277728.db2.gz DNMSKUYSJSQCEE-OAQYLSRUSA-N 0 0 323.845 3.415 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cc(C2CCCCC2)n[nH]1 ZINC000129613579 523384129 /nfs/dbraw/zinc/38/41/29/523384129.db2.gz FNOSLOFUDCHPIT-UHFFFAOYSA-N 0 0 313.401 3.435 20 10 DGCDRN CCc1cc(O)ccc1NS(=O)(=O)c1ccc(C)c(C)c1 ZINC000189425355 523830581 /nfs/dbraw/zinc/83/05/81/523830581.db2.gz AMRKIPDKSCLNBW-UHFFFAOYSA-N 0 0 305.399 3.372 20 10 DGCDRN CO[C@H](C)c1nc(CNCc2ccc(N(C)C)c(F)c2)cs1 ZINC000267598878 523915714 /nfs/dbraw/zinc/91/57/14/523915714.db2.gz DBUCYGHQZFFBCE-LLVKDONJSA-N 0 0 323.437 3.345 20 10 DGCDRN COC(=O)[C@H](NCc1cccc(C)c1O)c1cc(C)cc(C)c1 ZINC000189623734 523928116 /nfs/dbraw/zinc/92/81/16/523928116.db2.gz CTCDYEBHGHMKLH-QGZVFWFLSA-N 0 0 313.397 3.321 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H](c2ccccc2)C1 ZINC000180722293 534774592 /nfs/dbraw/zinc/77/45/92/534774592.db2.gz IEFPCAXRDKFKFM-MNDMWVCDSA-N 0 0 309.365 3.127 20 10 DGCDRN COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000191212927 524742368 /nfs/dbraw/zinc/74/23/68/524742368.db2.gz PYANCCHYUOZAHV-HZMBPMFUSA-N 0 0 323.339 3.063 20 10 DGCDRN CC(=O)c1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)cs1 ZINC000292940332 534808783 /nfs/dbraw/zinc/80/87/83/534808783.db2.gz HSZDURIAYSWLCL-UHFFFAOYSA-N 0 0 320.389 3.086 20 10 DGCDRN Cc1ccccc1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000264751089 525225582 /nfs/dbraw/zinc/22/55/82/525225582.db2.gz OJOAPSAWXFSHNU-DHZHZOJOSA-N 0 0 322.408 3.484 20 10 DGCDRN C[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccc(F)c(F)c1[O-] ZINC000191212782 525407813 /nfs/dbraw/zinc/40/78/13/525407813.db2.gz FNOLIBIMLKDDMQ-XPTSAGLGSA-N 0 0 311.303 3.194 20 10 DGCDRN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180789149 525511583 /nfs/dbraw/zinc/51/15/83/525511583.db2.gz SRBCKDVDFHXUQJ-XKMBLQBNSA-N 0 0 301.386 3.291 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCCCNC1=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000192650591 525550909 /nfs/dbraw/zinc/55/09/09/525550909.db2.gz APWVOUJQMONQJU-QPUJVOFHSA-N 0 0 317.216 3.018 20 10 DGCDRN COc1cccc(CNC(=O)N[C@@H]2CCC[C@H](C)CC2)c1O ZINC000190967382 525988359 /nfs/dbraw/zinc/98/83/59/525988359.db2.gz UZILXRLATBJVHT-GXTWGEPZSA-N 0 0 306.406 3.169 20 10 DGCDRN Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)c(O)c1O ZINC000182453030 526139001 /nfs/dbraw/zinc/13/90/01/526139001.db2.gz ZPJFBVKAUSVANG-HIFRSBDPSA-N 0 0 311.381 3.424 20 10 DGCDRN C[C@H](CC(=O)NCCc1ccc(O)c(O)c1)c1ccccc1F ZINC000156646220 526239546 /nfs/dbraw/zinc/23/95/46/526239546.db2.gz QWSOIQXTTKKBIB-GFCCVEGCSA-N 0 0 317.360 3.089 20 10 DGCDRN Cn1ccc(/C=C2/SC(=S)N([C@@H]3C[C@H]4CC[C@@H]3C4)C2=O)c1 ZINC000160312163 527336914 /nfs/dbraw/zinc/33/69/14/527336914.db2.gz IPYGRALARVKFOW-FJORYOPESA-N 0 0 318.467 3.415 20 10 DGCDRN Nc1ccc(CC(=O)N(CCC(F)(F)F)CC2CC2)cc1 ZINC000238109934 527474538 /nfs/dbraw/zinc/47/45/38/527474538.db2.gz LLTDDLJSTHAUKE-UHFFFAOYSA-N 0 0 300.324 3.002 20 10 DGCDRN Nc1ccc(CC(=O)N2CCS[C@H](c3ccccc3)C2)cc1 ZINC000364264215 527475321 /nfs/dbraw/zinc/47/53/21/527475321.db2.gz XEILVVCMQZSWNF-KRWDZBQOSA-N 0 0 312.438 3.128 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H]2CCCC[C@H]21 ZINC000180894804 527614471 /nfs/dbraw/zinc/61/44/71/527614471.db2.gz NRCLHUWCRNHVPV-QSTFCLMHSA-N 0 0 301.386 3.292 20 10 DGCDRN CCOC(=O)c1ccc(N[C@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000302462201 528239839 /nfs/dbraw/zinc/23/98/39/528239839.db2.gz VKHKYPSNHMVSEC-CYBMUJFWSA-N 0 0 313.401 3.497 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C/c1cccnc1 ZINC000299324445 528786307 /nfs/dbraw/zinc/78/63/07/528786307.db2.gz DDVYKUXDITUXKG-FMIVXFBMSA-N 0 0 309.413 3.210 20 10 DGCDRN CCN(Cc1noc(C(C)C)n1)c1ccc(OC)c(OC)c1 ZINC000299270344 535396853 /nfs/dbraw/zinc/39/68/53/535396853.db2.gz JKEDHVBPULSHOC-UHFFFAOYSA-N 0 0 305.378 3.237 20 10 DGCDRN CCN(C[C@H](C)OC)C(=O)NCc1c(C)c2ccccc2n1C ZINC000464318374 535778554 /nfs/dbraw/zinc/77/85/54/535778554.db2.gz GUBCBEAPFKGVPE-ZDUSSCGKSA-N 0 0 317.433 3.053 20 10 DGCDRN CC[C@@H](Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccccc1O ZINC000274799403 535809749 /nfs/dbraw/zinc/80/97/49/535809749.db2.gz URMPZYJYPDVMBH-CQSZACIVSA-N 0 0 311.385 3.146 20 10 DGCDRN CC[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1ccc(F)cc1[O-] ZINC000285977013 535906585 /nfs/dbraw/zinc/90/65/85/535906585.db2.gz HLMUUMNZGMDINM-RNODOKPDSA-N 0 0 301.427 3.119 20 10 DGCDRN CC[C@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1ccc(F)cc1[O-] ZINC000286375736 535946434 /nfs/dbraw/zinc/94/64/34/535946434.db2.gz ALERGCVTZSYCRY-GJZGRUSLSA-N 0 0 303.381 3.383 20 10 DGCDRN CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NCc1ccc(O)c(O)c1 ZINC000272278840 536043118 /nfs/dbraw/zinc/04/31/18/536043118.db2.gz FJFSFWRADPHGRY-JDFRZJQESA-N 0 0 321.417 3.088 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)CC(F)(F)F)C2CC2)cc1 ZINC000298267162 536146086 /nfs/dbraw/zinc/14/60/86/536146086.db2.gz AIKLVEPBDFHDFB-UHFFFAOYSA-N 0 0 300.324 3.196 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cc(C2CC2)no1 ZINC000281689129 546389755 /nfs/dbraw/zinc/38/97/55/546389755.db2.gz FWBHCCDXOBVSJL-UHFFFAOYSA-N 0 0 311.385 3.082 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)C3(C)CCCC3)CC2)cc1 ZINC000730968604 574539650 /nfs/dbraw/zinc/53/96/50/574539650.db2.gz NSSIFLZKTMHJKJ-UHFFFAOYSA-N 0 0 316.445 3.361 20 10 DGCDRN CCCCNC(=S)NCc1ccc(N(CC)CC)c(F)c1 ZINC000731320476 574547183 /nfs/dbraw/zinc/54/71/83/574547183.db2.gz VPDAUMMHHFLKAD-UHFFFAOYSA-N 0 0 311.470 3.436 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)Cc2ncc[nH]2)cc1 ZINC000731856185 574560406 /nfs/dbraw/zinc/56/04/06/574560406.db2.gz LTZFJIJWNRGSGZ-UHFFFAOYSA-N 0 0 308.385 3.089 20 10 DGCDRN CC[C@@H](NC(=O)C1=CC(=O)CS1)c1ccc2c(c1)OCCO2 ZINC000731870853 574560677 /nfs/dbraw/zinc/56/06/77/574560677.db2.gz ZXBDMWJUXRRRBC-GFCCVEGCSA-N 0 0 319.382 3.106 20 10 DGCDRN COc1ccc([C@H](NC(=O)C2=CC(=O)CS2)C2CC2)cc1 ZINC000731868715 574561316 /nfs/dbraw/zinc/56/13/16/574561316.db2.gz QSYXLHCTOGLFES-OAHLLOKOSA-N 0 0 303.383 3.343 20 10 DGCDRN O=C(N[C@@H](c1ccccc1)c1ccccn1)C1=CC(=O)CS1 ZINC000731868251 574561500 /nfs/dbraw/zinc/56/15/00/574561500.db2.gz UIYSKDWDMOVABS-INIZCTEOSA-N 0 0 310.378 3.368 20 10 DGCDRN CCCn1c(C)cc(C(=O)COC(=O)C2=CC(=O)CS2)c1C ZINC000731911517 574561937 /nfs/dbraw/zinc/56/19/37/574561937.db2.gz KOYROAKKNFWMKQ-UHFFFAOYSA-N 0 0 321.398 3.322 20 10 DGCDRN O=C(OCc1cc(-c2ccccc2)on1)C1=CC(=O)CS1 ZINC000731909662 574561951 /nfs/dbraw/zinc/56/19/51/574561951.db2.gz IAAOWCWLJVWHGV-UHFFFAOYSA-N 0 0 301.323 3.466 20 10 DGCDRN O=C(C1=CC(=O)CS1)N(Cc1cc[nH]n1)Cc1ccccc1 ZINC000732286438 574570885 /nfs/dbraw/zinc/57/08/85/574570885.db2.gz XHQSIKCFNOGDRM-UHFFFAOYSA-N 0 0 313.382 3.019 20 10 DGCDRN COc1ccc(CCCN(C)C(=O)C2=CC(=O)CS2)cc1 ZINC000732275819 574569984 /nfs/dbraw/zinc/56/99/84/574569984.db2.gz CHJIERBYURPVHR-UHFFFAOYSA-N 0 0 305.399 3.167 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000732287567 574570934 /nfs/dbraw/zinc/57/09/34/574570934.db2.gz XFFVHNFEFDURRY-CYBMUJFWSA-N 0 0 323.801 3.321 20 10 DGCDRN CN(C)[C@H](CNC(=O)C1=CC(=O)CS1)c1ccccc1Cl ZINC000732257025 574570177 /nfs/dbraw/zinc/57/01/77/574570177.db2.gz BPKRCYIALDLRRH-CYBMUJFWSA-N 0 0 324.833 3.140 20 10 DGCDRN O=C(N[C@@H]1CCOc2c(Cl)cccc21)C1=CC(=O)CS1 ZINC000732276480 574570181 /nfs/dbraw/zinc/57/01/81/574570181.db2.gz RFCADIZGVQUWKC-LLVKDONJSA-N 0 0 309.774 3.361 20 10 DGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)C1=CC(=O)CS1 ZINC000732279092 574570406 /nfs/dbraw/zinc/57/04/06/574570406.db2.gz WSURUDDCJDARQV-UHFFFAOYSA-N 0 0 316.426 3.374 20 10 DGCDRN O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)C1=CC(=O)CS1 ZINC000732282537 574570600 /nfs/dbraw/zinc/57/06/00/574570600.db2.gz PVGKELFEIGTALO-ZFWWWQNUSA-N 0 0 303.383 3.104 20 10 DGCDRN O=C(OCc1ccn(-c2cccc(F)c2)n1)C1=CC(=O)CS1 ZINC000732352982 574572064 /nfs/dbraw/zinc/57/20/64/574572064.db2.gz JKNMVPHZAFCQDK-UHFFFAOYSA-N 0 0 318.329 3.136 20 10 DGCDRN C[C@H](NC(=O)C1=CC(=O)CS1)c1nc2cc(Cl)ccc2[nH]1 ZINC000732580219 574576210 /nfs/dbraw/zinc/57/62/10/574576210.db2.gz YSFUJXJXVSRDQA-ZETCQYMHSA-N 0 0 321.789 3.474 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCc2ccc(Br)cc21 ZINC000732834958 574584358 /nfs/dbraw/zinc/58/43/58/574584358.db2.gz UCVYQLFLUAXADF-UHFFFAOYSA-N 0 0 324.199 3.419 20 10 DGCDRN CC[C@H](OC1CCCC1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000733090564 574595791 /nfs/dbraw/zinc/59/57/91/574595791.db2.gz MHFYDMDTHHVSMY-KRWDZBQOSA-N 0 0 304.434 3.107 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)CO[C@H]2CCC[C@H](C)C2)c1 ZINC000733000017 574591165 /nfs/dbraw/zinc/59/11/65/574591165.db2.gz LVTMTIHLZPFTNM-YDHLFZDLSA-N 0 0 321.417 3.173 20 10 DGCDRN CN(C)c1ccc(CN(c2ncccc2[N+](=O)[O-])C2CC2)cc1 ZINC000733188356 574606146 /nfs/dbraw/zinc/60/61/46/574606146.db2.gz OTJXEVLNNOTYOS-UHFFFAOYSA-N 0 0 312.373 3.225 20 10 DGCDRN CN(C)c1ccc(CN(c2ccc3nccnc3n2)C2CC2)cc1 ZINC000733188483 574606184 /nfs/dbraw/zinc/60/61/84/574606184.db2.gz RKFPTFDBWRBODZ-UHFFFAOYSA-N 0 0 319.412 3.260 20 10 DGCDRN C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000733806635 574639073 /nfs/dbraw/zinc/63/90/73/574639073.db2.gz GMTDNZZYXNRQRA-KBPBESRZSA-N 0 0 322.474 3.180 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCC[C@H](C)C1 ZINC000734526788 574666446 /nfs/dbraw/zinc/66/64/46/574666446.db2.gz UHRJQHIYZFUYSC-BBRMVZONSA-N 0 0 303.450 3.439 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](C)C(C)(C)C)c1 ZINC000734533602 574666864 /nfs/dbraw/zinc/66/68/64/574666864.db2.gz JAGFGWMYHJTLFU-VXGBXAGGSA-N 0 0 308.422 3.443 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000734687960 574672503 /nfs/dbraw/zinc/67/25/03/574672503.db2.gz ZQTZWYTYBKWOHG-ZIAGYGMSSA-N 0 0 303.450 3.249 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=S)NC(C2CC2)C2CC2)cc1 ZINC000734755125 574676050 /nfs/dbraw/zinc/67/60/50/574676050.db2.gz IUIFKIAVXVKLJY-UHFFFAOYSA-N 0 0 317.502 3.248 20 10 DGCDRN CC(C)(C)c1ccc([C@@H](O)CNC(=O)C2=CC(=O)CS2)cc1 ZINC000734868704 574680405 /nfs/dbraw/zinc/68/04/05/574680405.db2.gz JQPPSLQGAQFNLG-AWEZNQCLSA-N 0 0 319.426 3.215 20 10 DGCDRN O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])C1=CC(=O)CS1 ZINC000734896769 574682286 /nfs/dbraw/zinc/68/22/86/574682286.db2.gz RRCAPYCEMKCHIB-UHFFFAOYSA-N 0 0 313.718 3.372 20 10 DGCDRN CC(C)COc1ccc(NC(=O)NCc2ccccc2O)cn1 ZINC000735174739 574691153 /nfs/dbraw/zinc/69/11/53/574691153.db2.gz RXVVPTNPPXJNFS-UHFFFAOYSA-N 0 0 315.373 3.144 20 10 DGCDRN CC[N@H+](CCC(=O)[O-])Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000737096066 574823446 /nfs/dbraw/zinc/82/34/46/574823446.db2.gz JRGHCYIIFCDGPA-UHFFFAOYSA-N 0 0 317.385 3.314 20 10 DGCDRN CCN(CC)c1ccc(CN(C)[C@H](C)c2nc(C)no2)cc1 ZINC000738299314 574864994 /nfs/dbraw/zinc/86/49/94/574864994.db2.gz NNKWIEGXEFFXFU-CYBMUJFWSA-N 0 0 302.422 3.417 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)Cc2ccon2)cc1 ZINC000739801407 574912583 /nfs/dbraw/zinc/91/25/83/574912583.db2.gz ZKLIKQCVFXYPKA-UHFFFAOYSA-N 0 0 309.369 3.354 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000739922886 574915911 /nfs/dbraw/zinc/91/59/11/574915911.db2.gz OGRBIVNZLTYLQB-UHFFFAOYSA-N 0 0 320.339 3.438 20 10 DGCDRN Cc1cc(C[NH+]2CCC(C(=O)[O-])CC2)c(O)c(C(C)(C)C)c1 ZINC000740078747 574922690 /nfs/dbraw/zinc/92/26/90/574922690.db2.gz GIHQKXDARLQXCH-UHFFFAOYSA-N 0 0 305.418 3.295 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C)C[C@@H]2C)cc1 ZINC000740906961 574945658 /nfs/dbraw/zinc/94/56/58/574945658.db2.gz KGGFSQGUGVYODQ-GJZGRUSLSA-N 0 0 303.450 3.473 20 10 DGCDRN COc1cc(N(C)Cc2ncc(C(C)C)o2)cc(OC)c1OC ZINC000741795722 574971518 /nfs/dbraw/zinc/97/15/18/574971518.db2.gz NEGZVKUHYQGPRP-UHFFFAOYSA-N 0 0 320.389 3.460 20 10 DGCDRN COc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)c(C)c1 ZINC000741914684 574976266 /nfs/dbraw/zinc/97/62/66/574976266.db2.gz JKPHYWDMSMAIES-UHFFFAOYSA-N 0 0 316.376 3.139 20 10 DGCDRN CCCN1C(=O)C2(CCCCC2)N[C@H]1c1ccc(N(C)C)cc1 ZINC000742442985 575000461 /nfs/dbraw/zinc/00/04/61/575000461.db2.gz SCCIJXQWNWRRLA-QGZVFWFLSA-N 0 0 315.461 3.296 20 10 DGCDRN CCOc1ccc(CN[C@@H](C)c2nc(C(C)(C)C)no2)c(O)c1 ZINC000742390514 574995879 /nfs/dbraw/zinc/99/58/79/574995879.db2.gz JKAGNXZFPZVKMT-NSHDSACASA-N 0 0 319.405 3.322 20 10 DGCDRN CCCOCC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000742416400 574998373 /nfs/dbraw/zinc/99/83/73/574998373.db2.gz VOIHFHCUCFIQOS-UHFFFAOYSA-N 0 0 318.461 3.498 20 10 DGCDRN Cc1ccc([C@H](C)C(=O)NCc2ccc3c(c2)CCCN3C)o1 ZINC000742597392 575008555 /nfs/dbraw/zinc/00/85/55/575008555.db2.gz XMJMUKKUXRABNM-AWEZNQCLSA-N 0 0 312.413 3.390 20 10 DGCDRN CCO[C@H](C)c1noc(CN(C)Cc2cc(C)c(C)cc2O)n1 ZINC000743370449 575047723 /nfs/dbraw/zinc/04/77/23/575047723.db2.gz DLYYSCMCMQAZBJ-CYBMUJFWSA-N 0 0 319.405 3.122 20 10 DGCDRN O=C(NCCc1ccccc1)NCc1c(O)ccc2c1CCCC2 ZINC000743502825 575054987 /nfs/dbraw/zinc/05/49/87/575054987.db2.gz JJDOQFGWAZBZGO-UHFFFAOYSA-N 0 0 324.424 3.313 20 10 DGCDRN CC[C@](C)(O)CNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000743760533 575062854 /nfs/dbraw/zinc/06/28/54/575062854.db2.gz QFDJOFWJHQDELA-IBGZPJMESA-N 0 0 314.429 3.293 20 10 DGCDRN C[C@H](NC(=O)C1=CC(=O)CS1)c1ccc(-n2cccn2)cc1 ZINC000743814851 575064335 /nfs/dbraw/zinc/06/43/35/575064335.db2.gz IGACHPIHSMUOAL-NSHDSACASA-N 0 0 313.382 3.130 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)CCCc2ccccn2)cc1 ZINC000729259165 575230996 /nfs/dbraw/zinc/23/09/96/575230996.db2.gz JIQNZIAZQGAZMQ-UHFFFAOYSA-N 0 0 311.429 3.129 20 10 DGCDRN O=C(/C=C/c1cncc(F)c1)N1CCCc2c(F)cc(F)cc21 ZINC000729357966 575238577 /nfs/dbraw/zinc/23/85/77/575238577.db2.gz AQKCAWYNBFNDTF-ONEGZZNKSA-N 0 0 318.298 3.492 20 10 DGCDRN COc1cccc(CNC(=O)c2ccc(C(F)F)cc2)c1O ZINC000729858940 575265041 /nfs/dbraw/zinc/26/50/41/575265041.db2.gz HFVUREJYXBPTGC-UHFFFAOYSA-N 0 0 307.296 3.268 20 10 DGCDRN C[C@@H]1CN(Cc2cc3c(cc2O)CCC3)C[C@H](C(F)(F)F)O1 ZINC000744445454 575343045 /nfs/dbraw/zinc/34/30/45/575343045.db2.gz VSNUVRIRHMXFDV-MEBBXXQBSA-N 0 0 315.335 3.033 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c1 ZINC000745819502 575418995 /nfs/dbraw/zinc/41/89/95/575418995.db2.gz DXSIMCAQQYGRHD-UMVBOHGHSA-N 0 0 318.417 3.169 20 10 DGCDRN CC[C@@H]1C[C@@H](C)CN1c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000745975217 575425674 /nfs/dbraw/zinc/42/56/74/575425674.db2.gz FUNPXOASAJNQBQ-JDQXGDOCSA-N 0 0 318.373 3.406 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)CCn2cccc2)cc1 ZINC000746104863 575432609 /nfs/dbraw/zinc/43/26/09/575432609.db2.gz GHKCHPQKWFNLST-UHFFFAOYSA-N 0 0 313.445 3.383 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)C2=CCCCO2)cc1 ZINC000746105535 575432791 /nfs/dbraw/zinc/43/27/91/575432791.db2.gz YSVYVNCKKXWUEO-UHFFFAOYSA-N 0 0 302.418 3.186 20 10 DGCDRN CCN(CC(=O)N1C[C@H](C)C[C@@H](C)C1)c1ccc(OC)cc1 ZINC000746109012 575433100 /nfs/dbraw/zinc/43/31/00/575433100.db2.gz HLCHHNRZGUHYIZ-HUUCEWRRSA-N 0 0 304.434 3.026 20 10 DGCDRN CCN(CC(=O)NCC1CCCCC1)c1ccc(OC)cc1 ZINC000746109689 575433111 /nfs/dbraw/zinc/43/31/11/575433111.db2.gz UCOBVQDDKTWYPS-UHFFFAOYSA-N 0 0 304.434 3.218 20 10 DGCDRN CCOc1ccc(N(CC)C[C@@H](O)COc2ccccc2)cc1 ZINC000746159081 575437104 /nfs/dbraw/zinc/43/71/04/575437104.db2.gz NIXNFVUMBABTDU-QGZVFWFLSA-N 0 0 315.413 3.352 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)c1cccnc1 ZINC000746173674 575438033 /nfs/dbraw/zinc/43/80/33/575438033.db2.gz KFBCUGDNYZQSIU-OAHLLOKOSA-N 0 0 311.429 3.300 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1ccc([N+](=O)[O-])cc1 ZINC000746492153 575455488 /nfs/dbraw/zinc/45/54/88/575455488.db2.gz AHLPBDWCBHBVBK-UHFFFAOYSA-N 0 0 313.357 3.060 20 10 DGCDRN CN(C)[C@H](CNC(=O)C1=CC(=O)CS1)c1ccc(Cl)cc1 ZINC000746697456 575470706 /nfs/dbraw/zinc/47/07/06/575470706.db2.gz VAGAAJBLIOZUNZ-CYBMUJFWSA-N 0 0 324.833 3.140 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](C)CC1(C)C ZINC000746767695 575473892 /nfs/dbraw/zinc/47/38/92/575473892.db2.gz ZLXHMGGZBAWYIY-CYBMUJFWSA-N 0 0 303.450 3.391 20 10 DGCDRN CCC(CC)[C@H](CCNC(=O)NCc1ccccc1O)OC ZINC000747403217 575516150 /nfs/dbraw/zinc/51/61/50/575516150.db2.gz IEIOGLSNRSVDJQ-INIZCTEOSA-N 0 0 308.422 3.033 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1ccn(C)c1 ZINC000747935556 575552453 /nfs/dbraw/zinc/55/24/53/575552453.db2.gz UCHGMCNOLGCXHE-UHFFFAOYSA-N 0 0 313.426 3.424 20 10 DGCDRN CCc1ccc(NC(=S)NCc2cccc(OC)n2)cc1 ZINC000748045134 575558269 /nfs/dbraw/zinc/55/82/69/575558269.db2.gz YGUHEWCVHIVVPN-UHFFFAOYSA-N 0 0 301.415 3.139 20 10 DGCDRN CCc1cccc(NC(=S)NCc2cccc(OC)n2)c1 ZINC000748045404 575558359 /nfs/dbraw/zinc/55/83/59/575558359.db2.gz CPSXKBMOFBJNKT-UHFFFAOYSA-N 0 0 301.415 3.139 20 10 DGCDRN Cc1cccc2c1C(=O)N[C@@H](c1ccc3c(c1)CCCN3C)N2 ZINC000748095598 575561383 /nfs/dbraw/zinc/56/13/83/575561383.db2.gz KFMNQBQYYPGXPQ-SFHVURJKSA-N 0 0 307.397 3.232 20 10 DGCDRN Oc1ccccc1CNC(=S)Nc1ccc(OC(F)F)cc1 ZINC000748159159 575565057 /nfs/dbraw/zinc/56/50/57/575565057.db2.gz SXQQDHVGFCOIKQ-UHFFFAOYSA-N 0 0 324.352 3.480 20 10 DGCDRN O=C(CCc1ccc(OC(F)F)cc1)NCc1ccccc1O ZINC000748346696 575581707 /nfs/dbraw/zinc/58/17/07/575581707.db2.gz UAVYADNHQRARDU-UHFFFAOYSA-N 0 0 321.323 3.243 20 10 DGCDRN Cc1ccc(-c2cc(C(=O)NCc3ccccc3O)on2)cc1 ZINC000748345098 575581794 /nfs/dbraw/zinc/58/17/94/575581794.db2.gz IEUADRNKGBJPGH-UHFFFAOYSA-N 0 0 308.337 3.286 20 10 DGCDRN CCn1cc(CC(=O)NCc2ccccc2O)c2ccccc21 ZINC000748346953 575581811 /nfs/dbraw/zinc/58/18/11/575581811.db2.gz QTEMNHBTESDTLP-UHFFFAOYSA-N 0 0 308.381 3.226 20 10 DGCDRN COc1ccc2c(CC(=O)NCc3ccccc3O)coc2c1 ZINC000748354208 575582974 /nfs/dbraw/zinc/58/29/74/575582974.db2.gz HAWCADYLQIMMMS-UHFFFAOYSA-N 0 0 311.337 3.006 20 10 DGCDRN Cc1oc(-c2ccccc2)nc1C(=O)NCc1ccccc1O ZINC000748354885 575583200 /nfs/dbraw/zinc/58/32/00/575583200.db2.gz OQVLAYMOWBLBSE-UHFFFAOYSA-N 0 0 308.337 3.286 20 10 DGCDRN CN(C)c1c(Cl)cccc1NC(=O)NCc1ccccc1O ZINC000748449252 575587517 /nfs/dbraw/zinc/58/75/17/575587517.db2.gz VVTSFCNAEZASJF-UHFFFAOYSA-N 0 0 319.792 3.433 20 10 DGCDRN CC(C)Oc1cccc(CNC(=O)NCc2ccccc2O)c1 ZINC000748459243 575588112 /nfs/dbraw/zinc/58/81/12/575588112.db2.gz DNISHFKRFKAVDS-UHFFFAOYSA-N 0 0 314.385 3.179 20 10 DGCDRN O=C(NCc1ncc(-c2ccccc2)o1)NCc1ccccc1O ZINC000748460774 575588166 /nfs/dbraw/zinc/58/81/66/575588166.db2.gz QPGRNBISLIKYCQ-UHFFFAOYSA-N 0 0 323.352 3.047 20 10 DGCDRN O=C(NCc1ccccc1O)NCC12CC3CC(CC(C3)C1)C2 ZINC000748462733 575588479 /nfs/dbraw/zinc/58/84/79/575588479.db2.gz HRTGCGCKENFKCM-UHFFFAOYSA-N 0 0 314.429 3.408 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@@H](c1cccs1)C1CC1 ZINC000748462228 575588661 /nfs/dbraw/zinc/58/86/61/575588661.db2.gz CEGDXPWVSDINKD-OAHLLOKOSA-N 0 0 302.399 3.404 20 10 DGCDRN CCCCCNC(=O)CN(c1ccc(OC)c(F)c1)C(C)C ZINC000749149967 575630548 /nfs/dbraw/zinc/63/05/48/575630548.db2.gz FUCHXCRFAQNHJS-UHFFFAOYSA-N 0 0 310.413 3.356 20 10 DGCDRN COCc1cccc(CN(C)c2ccc(OC)c(OC)c2)c1 ZINC000749514746 575662237 /nfs/dbraw/zinc/66/22/37/575662237.db2.gz KSNFECKODCOFCF-UHFFFAOYSA-N 0 0 301.386 3.487 20 10 DGCDRN CC[C@@H](C)NC(=S)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000749768635 575677347 /nfs/dbraw/zinc/67/73/47/575677347.db2.gz ZOHGXJCAPDHIEU-CYBMUJFWSA-N 0 0 305.491 3.390 20 10 DGCDRN CC1(C(=O)NCc2ccc(N3CCSCC3)cc2)CCC1 ZINC000749908831 575687289 /nfs/dbraw/zinc/68/72/89/575687289.db2.gz KRIZMORFLBLCGW-UHFFFAOYSA-N 0 0 304.459 3.046 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(F)c(F)c2F)cc1 ZINC000750016020 575697610 /nfs/dbraw/zinc/69/76/10/575697610.db2.gz YMQPVGJBQRBRLV-UHFFFAOYSA-N 0 0 322.330 3.442 20 10 DGCDRN CCC[C@H](O)CC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000750097309 575703758 /nfs/dbraw/zinc/70/37/58/575703758.db2.gz UQVIABOEVQTGIQ-KRWDZBQOSA-N 0 0 306.450 3.042 20 10 DGCDRN CCCN(C(=O)/C=C/c1cnc2ccccc2n1)c1cccnc1 ZINC000750127594 575706865 /nfs/dbraw/zinc/70/68/65/575706865.db2.gz AUVLVURIGQCLPE-MDZDMXLPSA-N 0 0 318.380 3.481 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CCCC2(C)C)cc1F ZINC000750295338 575716607 /nfs/dbraw/zinc/71/66/07/575716607.db2.gz AJTVONSGNWTQLA-OAHLLOKOSA-N 0 0 307.413 3.270 20 10 DGCDRN COCCCOc1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC000751070460 575770133 /nfs/dbraw/zinc/77/01/33/575770133.db2.gz UXXDMMUELSUMGJ-UHFFFAOYSA-N 0 0 307.371 3.121 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)CCOCC2CC2)C2CC2)cc1 ZINC000751227402 575776075 /nfs/dbraw/zinc/77/60/75/575776075.db2.gz HLECUOOKTSKQQY-UHFFFAOYSA-N 0 0 316.445 3.060 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1cncs1 ZINC000751299458 575778755 /nfs/dbraw/zinc/77/87/55/575778755.db2.gz LXOPJFVTYMKNRM-UHFFFAOYSA-N 0 0 321.365 3.105 20 10 DGCDRN CC1(C)C(NC(=O)NCc2ccc(N3CC=CC3)cc2)C1(C)C ZINC000752013685 575818083 /nfs/dbraw/zinc/81/80/83/575818083.db2.gz GMEFVBUXWJDIHK-UHFFFAOYSA-N 0 0 313.445 3.297 20 10 DGCDRN CS/C=C/C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000752087900 575822247 /nfs/dbraw/zinc/82/22/47/575822247.db2.gz HGYDZSPYGCNVDD-CSKARUKUSA-N 0 0 303.383 3.391 20 10 DGCDRN C[C@@H](CNC(=O)NCc1ccccc1O)c1ccc(F)cc1 ZINC000726241966 576014262 /nfs/dbraw/zinc/01/42/62/576014262.db2.gz QIZBDGOCTUTUQD-LBPRGKRZSA-N 0 0 302.349 3.134 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc2n[nH]cc2c1 ZINC000726374693 576019313 /nfs/dbraw/zinc/01/93/13/576019313.db2.gz KIVFVJUHRARSEA-UHFFFAOYSA-N 0 0 320.396 3.093 20 10 DGCDRN CC[C@@H](Nc1ccccc1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000726374261 576019412 /nfs/dbraw/zinc/01/94/12/576019412.db2.gz CRBAKHJHZJPXSB-GOSISDBHSA-N 0 0 311.429 3.260 20 10 DGCDRN CN(CCCNC(=S)Nc1cccc(O)c1)c1ccccc1 ZINC000726433206 576021994 /nfs/dbraw/zinc/02/19/94/576021994.db2.gz BKDUORDWSJNUFG-UHFFFAOYSA-N 0 0 315.442 3.205 20 10 DGCDRN Cc1cc(C(=O)Nc2n[nH]c(C)c2C)c(C)n1-c1ccccn1 ZINC000728190830 576167381 /nfs/dbraw/zinc/16/73/81/576167381.db2.gz JYYDDQZGRYYGAM-UHFFFAOYSA-N 0 0 309.373 3.081 20 10 DGCDRN C[C@@H](CC(=O)OCC(=O)c1ccc(O)c(O)c1)c1ccccc1 ZINC000916590774 620637410 /nfs/dbraw/zinc/63/74/10/620637410.db2.gz NVMFZHRILGMIHG-LBPRGKRZSA-N 0 0 314.337 3.018 20 10 DGCDRN COCc1cccc(NC(=O)N(C)Cc2ccccc2O)c1 ZINC000916677787 620642339 /nfs/dbraw/zinc/64/23/39/620642339.db2.gz LMSDRWQSOIJQFI-UHFFFAOYSA-N 0 0 300.358 3.203 20 10 DGCDRN C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H](CC(F)(F)F)O1 ZINC000852741116 620644624 /nfs/dbraw/zinc/64/46/24/620644624.db2.gz FPWMMPDSKIOZMH-DOMZBBRYSA-N 0 0 316.367 3.294 20 10 DGCDRN CN(C)c1ccc(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC000916836789 620646988 /nfs/dbraw/zinc/64/69/88/620646988.db2.gz MXPIPXZXFYKRBF-HNNXBMFYSA-N 0 0 316.367 3.296 20 10 DGCDRN COC(=O)c1cnc(SCCC2SCCS2)s1 ZINC000853020504 620660911 /nfs/dbraw/zinc/66/09/11/620660911.db2.gz GFBATXTZFMVZAK-UHFFFAOYSA-N 0 0 307.487 3.218 20 10 DGCDRN COC(=O)COC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000917329282 620664169 /nfs/dbraw/zinc/66/41/69/620664169.db2.gz FSIZYLPOSWGGAH-UHFFFAOYSA-N 0 0 321.760 3.077 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1cnc(F)cn1 ZINC000853096244 620668616 /nfs/dbraw/zinc/66/86/16/620668616.db2.gz UIRHGJLYYFEZRY-UHFFFAOYSA-N 0 0 300.381 3.242 20 10 DGCDRN CN1CC(=O)N[C@H]1c1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000917500321 620670806 /nfs/dbraw/zinc/67/08/06/620670806.db2.gz GCCIJYRBQLYDST-MRXNPFEDSA-N 0 0 304.434 3.047 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000917504039 620671293 /nfs/dbraw/zinc/67/12/93/620671293.db2.gz ZPJHXWRILCNQKE-ZFWWWQNUSA-N 0 0 318.442 3.453 20 10 DGCDRN Cc1cc(CC(=O)O[C@H](C)c2nc[nH]n2)c(C)n1-c1ccccc1 ZINC000853228053 620680061 /nfs/dbraw/zinc/68/00/61/620680061.db2.gz WLHMJBFLFPHPKR-CQSZACIVSA-N 0 0 324.384 3.059 20 10 DGCDRN O=C(CSc1nccs1)NC1C2CC3CC(C2)CC1C3 ZINC000917612860 620679538 /nfs/dbraw/zinc/67/95/38/620679538.db2.gz GNCYJZXLAQGLSW-UHFFFAOYSA-N 0 0 308.472 3.176 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cc(F)cc(F)c1[O-] ZINC000853242054 620681304 /nfs/dbraw/zinc/68/13/04/620681304.db2.gz ZUPRWVGLYZETHW-GXTWGEPZSA-N 0 0 324.415 3.443 20 10 DGCDRN CCCC(=O)c1ncccc1NCc1cccc(OC)c1O ZINC000853259146 620682679 /nfs/dbraw/zinc/68/26/79/620682679.db2.gz RRSYMBNXJWXVHW-UHFFFAOYSA-N 0 0 300.358 3.391 20 10 DGCDRN COC(=O)c1cnc(SC[C@@H]2CCC3(CCC3)CO2)s1 ZINC000917778386 620684092 /nfs/dbraw/zinc/68/40/92/620684092.db2.gz RFSTUSBJIFLOSV-JTQLQIEISA-N 0 0 313.444 3.371 20 10 DGCDRN C[C@@H](NC(=O)Nc1ccc(N)cc1)c1ccc2c(c1)CCCO2 ZINC000853321960 620686312 /nfs/dbraw/zinc/68/63/12/620686312.db2.gz WJGRRKKZZILQFZ-GFCCVEGCSA-N 0 0 311.385 3.477 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)OCC(F)(F)F)C2CC2)cc1 ZINC000918000314 620692788 /nfs/dbraw/zinc/69/27/88/620692788.db2.gz KNDCAPDFEIPMJD-UHFFFAOYSA-N 0 0 316.323 3.416 20 10 DGCDRN C[C@@H]1C[C@H]1c1ccc(CNC(=O)N(C)Cc2ccccc2O)o1 ZINC000918077977 620696324 /nfs/dbraw/zinc/69/63/24/620696324.db2.gz KWLWZBLOXMOHMT-IUODEOHRSA-N 0 0 314.385 3.450 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000918077170 620696542 /nfs/dbraw/zinc/69/65/42/620696542.db2.gz WUOUSXUCMXWSOZ-KGLIPLIRSA-N 0 0 318.442 3.189 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1cc(C(C)(C)C)ncn1 ZINC000853472856 620698347 /nfs/dbraw/zinc/69/83/47/620698347.db2.gz FEAXZGNRCMPCSV-NSHDSACASA-N 0 0 301.390 3.228 20 10 DGCDRN CCn1cc(CN2CCCc3cc(OC(F)F)ccc32)cn1 ZINC000184748660 660184353 /nfs/dbraw/zinc/18/43/53/660184353.db2.gz DSCZVMJIDMRJAA-UHFFFAOYSA-N 0 0 307.344 3.457 20 10 DGCDRN Oc1cc2c(cc1CN1CC3(CCC3)[C@@H]1c1ccncc1)OCO2 ZINC000853629663 620717697 /nfs/dbraw/zinc/71/76/97/620717697.db2.gz LSLVXBFZBWMWBT-SFHVURJKSA-N 0 0 324.380 3.243 20 10 DGCDRN COc1ccc(N2CC[C@H](Nc3ccnc(C(C)C)n3)C2)cc1 ZINC000853759078 620734443 /nfs/dbraw/zinc/73/44/43/620734443.db2.gz ORFGDPFWJSQHNS-AWEZNQCLSA-N 0 0 312.417 3.299 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H](CCF)C1 ZINC000853749274 620733045 /nfs/dbraw/zinc/73/30/45/620733045.db2.gz NVMBDINISDQVIU-HNNXBMFYSA-N 0 0 321.440 3.342 20 10 DGCDRN COc1ccc(N2CC[C@@H](Nc3nnc(C4CC4)s3)C2)cc1 ZINC000853758147 620734353 /nfs/dbraw/zinc/73/43/53/620734353.db2.gz APQDSDLDLVUWMX-GFCCVEGCSA-N 0 0 316.430 3.115 20 10 DGCDRN Cc1ccnc(C)c1NC(=O)NCc1ccc(N(C)C)cc1C ZINC000806537277 617605528 /nfs/dbraw/zinc/60/55/28/617605528.db2.gz IPWHENFKUPRELK-UHFFFAOYSA-N 0 0 312.417 3.395 20 10 DGCDRN Cc1csc(C)c1S(=O)(=O)N[C@@H](C)c1ccccc1O ZINC000919119862 620736650 /nfs/dbraw/zinc/73/66/50/620736650.db2.gz RMBAPUHOTTWVQQ-JTQLQIEISA-N 0 0 311.428 3.110 20 10 DGCDRN C[C@H](CC(=O)NCc1c(O)ccc2c1CCCC2)c1ccncc1 ZINC000154928340 620740114 /nfs/dbraw/zinc/74/01/14/620740114.db2.gz YHZMCRWKLSIKFN-CQSZACIVSA-N 0 0 324.424 3.476 20 10 DGCDRN CO[C@H]1CCC[C@@H](CC(=O)NCc2cccc(Cl)c2O)C1 ZINC000890759129 617656388 /nfs/dbraw/zinc/65/63/88/617656388.db2.gz DDNTWSTYTKHZMK-YPMHNXCESA-N 0 0 311.809 3.257 20 10 DGCDRN COCCC1(C(=O)NCc2cccc(Cl)c2O)CCCC1 ZINC000890759670 617656638 /nfs/dbraw/zinc/65/66/38/617656638.db2.gz GUWVCNGPJJFKNY-UHFFFAOYSA-N 0 0 311.809 3.259 20 10 DGCDRN CC(C)c1ccc(C(=O)NCc2cccc(Cl)c2O)cn1 ZINC000890760276 617657265 /nfs/dbraw/zinc/65/72/65/617657265.db2.gz MZAHFPYSYZAXKH-UHFFFAOYSA-N 0 0 304.777 3.494 20 10 DGCDRN Cc1c(C(=O)NCc2cccc(Cl)c2O)cnn1CC(C)C ZINC000890760317 617657356 /nfs/dbraw/zinc/65/73/56/617657356.db2.gz OHTBEEMWMYXBPC-UHFFFAOYSA-N 0 0 321.808 3.137 20 10 DGCDRN O=C(CC(F)(F)C(F)(F)F)NCc1cccc(Cl)c1O ZINC000890762876 617658295 /nfs/dbraw/zinc/65/82/95/617658295.db2.gz KOMGJDMUXONUND-UHFFFAOYSA-N 0 0 317.641 3.250 20 10 DGCDRN CC(C)[C@@H]1C[C@@H](C(=O)NCc2cccc(Cl)c2O)CCO1 ZINC000890762847 617658454 /nfs/dbraw/zinc/65/84/54/617658454.db2.gz KNAWLXTTYQBSJY-FZMZJTMJSA-N 0 0 311.809 3.113 20 10 DGCDRN CC1(C(=O)NCc2cc(Br)ccc2O)CCCC1 ZINC000804733819 617661242 /nfs/dbraw/zinc/66/12/42/617661242.db2.gz ZYFAEJWXIBNWBV-UHFFFAOYSA-N 0 0 312.207 3.351 20 10 DGCDRN C[C@H](CC(=O)NCc1cc(Br)ccc1O)C1CC1 ZINC000804735208 617661451 /nfs/dbraw/zinc/66/14/51/617661451.db2.gz PKKPKJLDDFVJTG-SECBINFHSA-N 0 0 312.207 3.207 20 10 DGCDRN CC(C)(C)/C=C\C(=O)NCc1cc(Br)ccc1O ZINC000804737476 617661962 /nfs/dbraw/zinc/66/19/62/617661962.db2.gz JDCLKFNVVGBQPU-SREVYHEPSA-N 0 0 312.207 3.373 20 10 DGCDRN O=C(CC1CCCC1)NCc1cc(Br)ccc1O ZINC000804734391 617662121 /nfs/dbraw/zinc/66/21/21/617662121.db2.gz DDFRRNJJLSWIQA-UHFFFAOYSA-N 0 0 312.207 3.351 20 10 DGCDRN CCc1nsc(NCc2cc(Br)ccc2O)n1 ZINC000804826609 617679504 /nfs/dbraw/zinc/67/95/04/617679504.db2.gz BTNCPJSILRPXAE-UHFFFAOYSA-N 0 0 314.208 3.181 20 10 DGCDRN CN(Cc1csc(C(F)(F)F)n1)Cc1ccccc1O ZINC000891713477 617877268 /nfs/dbraw/zinc/87/72/68/617877268.db2.gz FZAPDGSNCKNGLC-UHFFFAOYSA-N 0 0 302.321 3.500 20 10 DGCDRN c1csc(SCCCc2nc(-c3ccncc3)no2)n1 ZINC000919677031 620759956 /nfs/dbraw/zinc/75/99/56/620759956.db2.gz VOMWEAJKIOTCHE-UHFFFAOYSA-N 0 0 304.400 3.313 20 10 DGCDRN Nc1ccc(CCNC(=O)N2C[C@@H]3CC[C@H]2c2ccccc23)cc1 ZINC000892038902 617949488 /nfs/dbraw/zinc/94/94/88/617949488.db2.gz JXIAVHGYFINPRY-KXBFYZLASA-N 0 0 321.424 3.455 20 10 DGCDRN CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000840540682 618001419 /nfs/dbraw/zinc/00/14/19/618001419.db2.gz WFUOMFFEKXQOMA-CJDRZLIDSA-N 0 0 303.402 3.442 20 10 DGCDRN CO[C@@](C)([C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000840859947 618027157 /nfs/dbraw/zinc/02/71/57/618027157.db2.gz QKKRFYJZESWWOB-MMPTUQATSA-N 0 0 308.378 3.155 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=S)NC(C)(C)C ZINC000840870660 618043639 /nfs/dbraw/zinc/04/36/39/618043639.db2.gz TWBGYACUFQSNCV-CYBMUJFWSA-N 0 0 307.507 3.255 20 10 DGCDRN FC(F)Oc1ccc(NCCCSc2nccs2)nn1 ZINC000892515438 618095342 /nfs/dbraw/zinc/09/53/42/618095342.db2.gz RAQTZCDKNZYZBI-UHFFFAOYSA-N 0 0 318.374 3.129 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]C[C@H](C(=O)[O-])C2CCC2)cc1 ZINC000854245634 620787438 /nfs/dbraw/zinc/78/74/38/620787438.db2.gz LAEJEHQNMIUWHY-KRWDZBQOSA-N 0 0 304.434 3.123 20 10 DGCDRN O=C([O-])[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)C1CCC1 ZINC000854245348 620787451 /nfs/dbraw/zinc/78/74/51/620787451.db2.gz JHPIMQFYQRYDIP-SFHVURJKSA-N 0 0 316.445 3.267 20 10 DGCDRN CCC(C)(CC)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854298700 620792736 /nfs/dbraw/zinc/79/27/36/620792736.db2.gz ABKMEZHTJFUNLQ-CQSZACIVSA-N 0 0 319.449 3.152 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2CCCCO2)cc1 ZINC000920349604 620795579 /nfs/dbraw/zinc/79/55/79/620795579.db2.gz SOKBYHHQDYZRNC-GOSISDBHSA-N 0 0 312.413 3.393 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1cnn(CCF)c1 ZINC000894514073 618364834 /nfs/dbraw/zinc/36/48/34/618364834.db2.gz DXXYEGLRZLLTNZ-UHFFFAOYSA-N 0 0 318.179 3.155 20 10 DGCDRN CC[C@H](C)c1nnc([C@@H](C)NCc2cc(C)cc(OC)c2O)[nH]1 ZINC000894554916 618384479 /nfs/dbraw/zinc/38/44/79/618384479.db2.gz BPFVCVRBZZSHNF-NWDGAFQWSA-N 0 0 318.421 3.192 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CCC[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000920487299 620803811 /nfs/dbraw/zinc/80/38/11/620803811.db2.gz SRYSAIDONYYDBY-LEJCZOIISA-N 0 0 318.373 3.406 20 10 DGCDRN CC1(C)CC[C@H]1C(=O)NCc1cc(Br)ccc1O ZINC000854442736 620804444 /nfs/dbraw/zinc/80/44/44/620804444.db2.gz VXHMYWZXGNVCRP-NSHDSACASA-N 0 0 312.207 3.207 20 10 DGCDRN COCCC[N@H+](Cc1ccncc1)Cc1cc(F)cc(F)c1[O-] ZINC000894769367 618448602 /nfs/dbraw/zinc/44/86/02/618448602.db2.gz FKRQGMOANBETLB-UHFFFAOYSA-N 0 0 322.355 3.104 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)N[C@H]1CCCC1(F)F ZINC000894862312 618481895 /nfs/dbraw/zinc/48/18/95/618481895.db2.gz HBNMNFKWYWDPEP-JTQLQIEISA-N 0 0 304.724 3.033 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000894983703 618507331 /nfs/dbraw/zinc/50/73/31/618507331.db2.gz GEZSYBAQEAWTAH-GOEBONIOSA-N 0 0 311.372 3.043 20 10 DGCDRN C[N@H+](Cc1cc(F)cc(F)c1[O-])C[C@](C)(O)c1ccccc1 ZINC000895055927 618521117 /nfs/dbraw/zinc/52/11/17/618521117.db2.gz ZJHBZGIAPSQDOE-KRWDZBQOSA-N 0 0 307.340 3.010 20 10 DGCDRN C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@H](C)[N@H+]1C ZINC000141902782 618555954 /nfs/dbraw/zinc/55/59/54/618555954.db2.gz PNQIGIDECXNPLX-AOOOYVTPSA-N 0 0 303.233 3.223 20 10 DGCDRN COc1ccc2c(c1)CCCN2[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000893451590 618560430 /nfs/dbraw/zinc/56/04/30/618560430.db2.gz RVIGZLQHYMFALY-DOTOQJQBSA-N 0 0 321.392 3.082 20 10 DGCDRN CCC(C)(C)OCCNC(=O)NCc1cccc(Cl)c1O ZINC000895286275 618588307 /nfs/dbraw/zinc/58/83/07/618588307.db2.gz UQCMJXOKDDJPKR-UHFFFAOYSA-N 0 0 314.813 3.050 20 10 DGCDRN COc1ccc(N(C)Cc2ccnn2C2CCC2)cc1OC ZINC000893572939 618609686 /nfs/dbraw/zinc/60/96/86/618609686.db2.gz LIBDMMXDODOEKX-UHFFFAOYSA-N 0 0 301.390 3.262 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CS[C@@H](C)C2)c1 ZINC000840958062 618634471 /nfs/dbraw/zinc/63/44/71/618634471.db2.gz IDCOUISFCWWZPA-ONGXEEELSA-N 0 0 316.264 3.447 20 10 DGCDRN COCCc1ccccc1NCc1ccc(OC)c(OC)c1O ZINC000893928958 618677718 /nfs/dbraw/zinc/67/77/18/618677718.db2.gz AWONVQSGUYDTKY-UHFFFAOYSA-N 0 0 317.385 3.210 20 10 DGCDRN COCc1ccc(NCc2ccc(OC)c(OC)c2O)cc1 ZINC000894055917 618701070 /nfs/dbraw/zinc/70/10/70/618701070.db2.gz BKWQLVNUYKOZHT-UHFFFAOYSA-N 0 0 303.358 3.168 20 10 DGCDRN CCOc1ccc(NCc2cc(C)cc(OC)c2O)cc1CO ZINC000894121328 618714566 /nfs/dbraw/zinc/71/45/66/618714566.db2.gz XQHRYVNSTHIKBA-UHFFFAOYSA-N 0 0 317.385 3.212 20 10 DGCDRN C[C@H]1C[C@H](CC[NH2+]Cc2c([O-])ccc(Cl)c2F)CCO1 ZINC000790986267 618732396 /nfs/dbraw/zinc/73/23/96/618732396.db2.gz LJEWPRGPIMVQBB-WDEREUQCSA-N 0 0 301.789 3.480 20 10 DGCDRN Cc1[nH]c2ccccc2c1C(=O)NCc1ccc(N(C)C)cc1 ZINC000015832850 618738683 /nfs/dbraw/zinc/73/86/83/618738683.db2.gz OUNYZHWDQFFJGY-UHFFFAOYSA-N 0 0 307.397 3.472 20 10 DGCDRN CCCOc1cncc(NCc2ccc(OC)c(OC)c2O)c1 ZINC000895595408 618806172 /nfs/dbraw/zinc/80/61/72/618806172.db2.gz KXRMSTKLTJWDMG-UHFFFAOYSA-N 0 0 318.373 3.205 20 10 DGCDRN CCc1cccc(CNc2ccc(N(C)C(=O)NC)cc2)c1O ZINC000895622854 618808394 /nfs/dbraw/zinc/80/83/94/618808394.db2.gz QWMQCBICZIMUIQ-UHFFFAOYSA-N 0 0 313.401 3.342 20 10 DGCDRN C[C@H](CNC(=O)NCc1cccc(Cl)c1O)c1ccccn1 ZINC000895636711 618810735 /nfs/dbraw/zinc/81/07/35/618810735.db2.gz YRTRLJYIXBUAHB-LLVKDONJSA-N 0 0 319.792 3.044 20 10 DGCDRN COCCN(CC(C)C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895664875 618814246 /nfs/dbraw/zinc/81/42/46/618814246.db2.gz CBCCNMBRMFJUHF-UHFFFAOYSA-N 0 0 323.414 3.057 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)C[C@@H]1CCC2(CCC2)CO1 ZINC000895756648 618827650 /nfs/dbraw/zinc/82/76/50/618827650.db2.gz YYDKBOYROTVBHI-HNNXBMFYSA-N 0 0 303.402 3.090 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)C[C@H]1CCC2(CCC2)CO1 ZINC000895756649 618827839 /nfs/dbraw/zinc/82/78/39/618827839.db2.gz YYDKBOYROTVBHI-OAHLLOKOSA-N 0 0 303.402 3.090 20 10 DGCDRN COc1cc(C)cc(CNc2cccc(OC)c2OC)c1O ZINC000895773113 618829457 /nfs/dbraw/zinc/82/94/57/618829457.db2.gz ADWZUWITSGELRT-UHFFFAOYSA-N 0 0 303.358 3.339 20 10 DGCDRN Oc1cccc(F)c1CNc1cc(Cl)nc([C@@H]2CCCO2)n1 ZINC000895832676 618839341 /nfs/dbraw/zinc/83/93/41/618839341.db2.gz LOZAEUBZRQALEH-LBPRGKRZSA-N 0 0 323.755 3.438 20 10 DGCDRN COc1c([O-])c(C[NH+]2CCC(F)(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000896946360 618991837 /nfs/dbraw/zinc/99/18/37/618991837.db2.gz SGZAMAFPVVWXCK-UHFFFAOYSA-N 0 0 324.352 3.023 20 10 DGCDRN CCc1noc([C@H]2CC[C@H]([NH2+]Cc3cccc(Cl)c3[O-])C2)n1 ZINC000897046448 619006239 /nfs/dbraw/zinc/00/62/39/619006239.db2.gz ZEZLPBXOFIHSKW-JQWIXIFHSA-N 0 0 321.808 3.417 20 10 DGCDRN CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3ccc(F)c(F)c3[O-])C2)n1 ZINC000897043812 619007880 /nfs/dbraw/zinc/00/78/80/619007880.db2.gz MNVYSOCXIHCCFX-MWLCHTKSSA-N 0 0 323.343 3.042 20 10 DGCDRN CC(C)[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1cnn(C)c1 ZINC000897081574 619012295 /nfs/dbraw/zinc/01/22/95/619012295.db2.gz PMOPJQPCVCMUCO-OAHLLOKOSA-N 0 0 311.788 3.405 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000897083338 619012327 /nfs/dbraw/zinc/01/23/27/619012327.db2.gz XVYSDTXSIOIHAR-ABAIWWIYSA-N 0 0 313.800 3.480 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCC[C@@H]1CCC(C)(C)CO1 ZINC000897120749 619020266 /nfs/dbraw/zinc/02/02/66/619020266.db2.gz YQTNDPDGPNYCMP-HNNXBMFYSA-N 0 0 320.433 3.129 20 10 DGCDRN CN(Cc1nc(-c2ccccc2)no1)c1ccc2c(c1)OCO2 ZINC000121314436 619051582 /nfs/dbraw/zinc/05/15/82/619051582.db2.gz AUIFIAJWKAXHFO-UHFFFAOYSA-N 0 0 309.325 3.102 20 10 DGCDRN COc1nn(C)cc1N[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000788985346 625313526 /nfs/dbraw/zinc/31/35/26/625313526.db2.gz QIDQPVUDJAOEEO-NSHDSACASA-N 0 0 301.390 3.186 20 10 DGCDRN CC(C)CCN(CCC(C)C)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841009394 619149566 /nfs/dbraw/zinc/14/95/66/619149566.db2.gz BUKTYHKXDFDVBT-UHFFFAOYSA-N 0 0 319.449 3.128 20 10 DGCDRN CCN(C)c1ccc(Cn2cc(C3CCC(=O)CC3)nn2)cc1 ZINC000881314004 625324309 /nfs/dbraw/zinc/32/43/09/625324309.db2.gz XUUNNLVCJMRXBS-UHFFFAOYSA-N 0 0 312.417 3.009 20 10 DGCDRN CCOc1ccc(C[NH2+][C@@H]2CCOC23CCCCC3)c(O)c1 ZINC000897729720 619179546 /nfs/dbraw/zinc/17/95/46/619179546.db2.gz YHZYJJVECTXTID-QGZVFWFLSA-N 0 0 305.418 3.372 20 10 DGCDRN C[C@@H](CC(N)=O)c1ccc(NCc2ccc(N(C)C)cc2)cc1 ZINC000897836880 619186664 /nfs/dbraw/zinc/18/66/64/619186664.db2.gz NAOGMASVXDNIOU-AWEZNQCLSA-N 0 0 311.429 3.344 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCSC(C)(C)C2)c1 ZINC000897854899 619189069 /nfs/dbraw/zinc/18/90/69/619189069.db2.gz OOVPRLCQLDYACU-CYBMUJFWSA-N 0 0 308.447 3.174 20 10 DGCDRN C[C@@]1(F)CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897870751 619189724 /nfs/dbraw/zinc/18/97/24/619189724.db2.gz YKLIPNIXMHEKDH-OAHLLOKOSA-N 0 0 309.362 3.277 20 10 DGCDRN CCCN(CCC)c1ccc(CNCc2cn(C)cn2)cc1 ZINC000898045474 619204366 /nfs/dbraw/zinc/20/43/66/619204366.db2.gz OSTFSWDZGYRFTC-UHFFFAOYSA-N 0 0 300.450 3.336 20 10 DGCDRN CN(C)c1ccc(CNc2ccnn2[C@@H]2CCCOC2)cc1F ZINC000898094888 619211840 /nfs/dbraw/zinc/21/18/40/619211840.db2.gz IKFCAIOXDOLVEP-CQSZACIVSA-N 0 0 318.396 3.052 20 10 DGCDRN Cc1nn(C)c(Cl)c1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898220090 619222963 /nfs/dbraw/zinc/22/29/63/619222963.db2.gz UJCUPTMWXUHTJQ-UHFFFAOYSA-N 0 0 300.189 3.031 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCc1nc(C(C)(C)C)co1 ZINC000898250432 619228414 /nfs/dbraw/zinc/22/84/14/619228414.db2.gz SJXCDXJLFBUTSB-UHFFFAOYSA-N 0 0 317.389 3.019 20 10 DGCDRN CC(C)[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1cnn(C)c1 ZINC000927069171 619261994 /nfs/dbraw/zinc/26/19/94/619261994.db2.gz LKKLJLGBNNQOSW-ZUZCIYMTSA-N 0 0 309.360 3.452 20 10 DGCDRN CC(C)(C)OC(=O)c1cc(NC(=O)C2=CC(=O)CS2)ccn1 ZINC000898617089 619288577 /nfs/dbraw/zinc/28/85/77/619288577.db2.gz BBNURBOEISQVTP-UHFFFAOYSA-N 0 0 320.370 3.056 20 10 DGCDRN C[C@H](NC(=O)NC[C@@H]1CCCC(C)(C)O1)c1ccccc1O ZINC000898638078 619288881 /nfs/dbraw/zinc/28/88/81/619288881.db2.gz XMCCNXWJIBRLQJ-STQMWFEESA-N 0 0 306.406 3.100 20 10 DGCDRN CCC[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)OCC ZINC000899126292 619313505 /nfs/dbraw/zinc/31/35/05/619313505.db2.gz OXVXQKKAXWJIHA-LLVKDONJSA-N 0 0 323.414 3.248 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NCC[C@@H]2CCCC2(F)F)cc1 ZINC000899203403 619318484 /nfs/dbraw/zinc/31/84/84/619318484.db2.gz MHTGBKLHOSISCN-NSHDSACASA-N 0 0 324.331 3.404 20 10 DGCDRN O=C(CC(F)(F)C(F)F)NCc1c(O)ccc2c1CCCC2 ZINC000901131321 619473943 /nfs/dbraw/zinc/47/39/43/619473943.db2.gz IMWUGKACUCKABV-UHFFFAOYSA-N 0 0 319.298 3.178 20 10 DGCDRN Cc1sc(C)c(S(=O)(=O)Nc2ccc(O)cc2C)c1C ZINC000901629581 619525622 /nfs/dbraw/zinc/52/56/22/619525622.db2.gz LOPFUQYOVIROFA-UHFFFAOYSA-N 0 0 311.428 3.488 20 10 DGCDRN C[C@@H](N[C@H]1C[NH2+]CC1(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000902450804 619640014 /nfs/dbraw/zinc/64/00/14/619640014.db2.gz UMIZMNYLNRUNIB-KCJUWKMLSA-N 0 0 303.233 3.348 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@@H](c2ccccn2)C2CC2)cc1 ZINC000902937997 619695137 /nfs/dbraw/zinc/69/51/37/619695137.db2.gz PYOFHRFJBRSNRS-GOSISDBHSA-N 0 0 324.428 3.098 20 10 DGCDRN C[C@H]([NH2+]C1CC(CC(N)=O)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000903259326 619746424 /nfs/dbraw/zinc/74/64/24/619746424.db2.gz HSGUOJKBDWTKQM-UEJVZZJDSA-N 0 0 317.216 3.004 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCN(C)[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000903299892 619753623 /nfs/dbraw/zinc/75/36/23/619753623.db2.gz CTQDKSWZJALULI-AUTRQRHGSA-N 0 0 303.233 3.442 20 10 DGCDRN C[C@H]([NH2+][C@H](CO)CCc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000903288539 619754803 /nfs/dbraw/zinc/75/48/03/619754803.db2.gz CUOBGAGPDSYWJP-WFASDCNBSA-N 0 0 321.367 3.315 20 10 DGCDRN Cc1cc(CO)cc(C)c1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000903307553 619756723 /nfs/dbraw/zinc/75/67/23/619756723.db2.gz KAIXNJBRZRUDJS-CYBMUJFWSA-N 0 0 303.377 3.491 20 10 DGCDRN Cc1cc([C@@H](C)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)no1 ZINC000903449644 619778668 /nfs/dbraw/zinc/77/86/68/619778668.db2.gz YYANMBCZEXWNKR-RDTXWAMCSA-N 0 0 316.449 3.003 20 10 DGCDRN CCNc1nc(C)c(C(=O)N[C@H](C)c2ccccc2O)s1 ZINC000881440553 625374370 /nfs/dbraw/zinc/37/43/70/625374370.db2.gz FZMDQEJYSWFDIE-SECBINFHSA-N 0 0 305.403 3.080 20 10 DGCDRN Nc1ccc2c(c1)CN(Cc1cc(Cl)ccc1O)CCO2 ZINC000903946814 619843689 /nfs/dbraw/zinc/84/36/89/619843689.db2.gz BEOQIJNTXGRJTK-UHFFFAOYSA-N 0 0 304.777 3.022 20 10 DGCDRN Nc1ccc(NC(=O)N2CC[C@@H]3CC[C@@]32c2cccnc2)cc1 ZINC000904501699 619925921 /nfs/dbraw/zinc/92/59/21/619925921.db2.gz WMGOUGXHSKSKHI-UGSOOPFHSA-N 0 0 308.385 3.207 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C)[C@H]2CCCO2)cc1 ZINC000905456189 620001187 /nfs/dbraw/zinc/00/11/87/620001187.db2.gz CVZXARFSYOFUQK-MAUKXSAKSA-N 0 0 318.461 3.306 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](C)[C@@H]1CCCO1 ZINC000908044359 620187790 /nfs/dbraw/zinc/18/77/90/620187790.db2.gz AWKFVQRVBHVIDV-PBHICJAKSA-N 0 0 305.418 3.336 20 10 DGCDRN CSC1(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000789213377 625405244 /nfs/dbraw/zinc/40/52/44/625405244.db2.gz PHVDWULKZVGICA-GFCCVEGCSA-N 0 0 307.463 3.008 20 10 DGCDRN COc1ccc2c(c1)CCCN2CC(=O)Nc1cccc(F)c1 ZINC000027579047 620228466 /nfs/dbraw/zinc/22/84/66/620228466.db2.gz IROXLNXLRTVBQW-UHFFFAOYSA-N 0 0 314.360 3.226 20 10 DGCDRN COc1ccc2c(c1)CCCN2CC(=O)NCc1ccc(C)cc1 ZINC000027579266 620228550 /nfs/dbraw/zinc/22/85/50/620228550.db2.gz CLHQPXHBIUIXLH-UHFFFAOYSA-N 0 0 324.424 3.073 20 10 DGCDRN O=C(OC[C@H]1CCC[C@@H](C(F)(F)F)O1)C1=CC(=O)CS1 ZINC000909004823 620234892 /nfs/dbraw/zinc/23/48/92/620234892.db2.gz YQAVRUQBCBLBIR-SCZZXKLOSA-N 0 0 310.293 3.111 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000910951646 620318530 /nfs/dbraw/zinc/31/85/30/620318530.db2.gz JZWNERZHMZUYCY-ONGXEEELSA-N 0 0 317.307 3.083 20 10 DGCDRN C[C@H]1CCc2sc(C(=O)NCc3ccc(O)cc3O)cc2C1 ZINC000910958796 620318893 /nfs/dbraw/zinc/31/88/93/620318893.db2.gz VBPPETNFXZYIPG-JTQLQIEISA-N 0 0 317.410 3.214 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)C1CC(c2ccc(F)cc2)C1 ZINC000910945408 620319514 /nfs/dbraw/zinc/31/95/14/620319514.db2.gz VEUSZSDOQUWDDQ-UHFFFAOYSA-N 0 0 315.344 3.047 20 10 DGCDRN CCn1nc(C2CC2)cc1C(=O)NCc1cc(Cl)ccc1O ZINC000911897903 620351625 /nfs/dbraw/zinc/35/16/25/620351625.db2.gz MBKDPHJBVGTPTG-UHFFFAOYSA-N 0 0 319.792 3.069 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)/C(F)=C(\C)C3CC3)C2)cc1 ZINC000912292893 620377375 /nfs/dbraw/zinc/37/73/75/620377375.db2.gz PYABIVVKOSHNDS-MTOJCTJASA-N 0 0 318.392 3.044 20 10 DGCDRN CC1CCN(c2ccc(CNC(=S)NC3(C)CC3)cc2)CC1 ZINC000789230970 625417624 /nfs/dbraw/zinc/41/76/24/625417624.db2.gz GEWCYLWFVHAFBU-UHFFFAOYSA-N 0 0 317.502 3.440 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000914433243 620533952 /nfs/dbraw/zinc/53/39/52/620533952.db2.gz MKPJQNZZJUSCJD-DGCLKSJQSA-N 0 0 302.201 3.214 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)c2ccccc2O)C2CC2)cc1 ZINC000914485363 620538283 /nfs/dbraw/zinc/53/82/83/620538283.db2.gz SNGBAFIROCLYSS-UHFFFAOYSA-N 0 0 310.397 3.263 20 10 DGCDRN COc1ccc(N(CC(C)C)C(=O)/C=C/c2cnn(C)c2)cc1 ZINC000914528522 620540836 /nfs/dbraw/zinc/54/08/36/620540836.db2.gz BGKCFYHGFLFHJF-BJMVGYQFSA-N 0 0 313.401 3.131 20 10 DGCDRN CCCN(CCO)C(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000914535094 620541127 /nfs/dbraw/zinc/54/11/27/620541127.db2.gz DRJQDULDNFAAFK-UHFFFAOYSA-N 0 0 314.429 3.247 20 10 DGCDRN Cc1sc2nc(Sc3nccs3)n(C)c(=O)c2c1C ZINC000914863483 620558231 /nfs/dbraw/zinc/55/82/31/620558231.db2.gz XTPMQKKSXBCQHC-UHFFFAOYSA-N 0 0 309.441 3.220 20 10 DGCDRN CCCCSCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000915081085 620566881 /nfs/dbraw/zinc/56/68/81/620566881.db2.gz JTRRJOPOPKTSQQ-UHFFFAOYSA-N 0 0 306.475 3.436 20 10 DGCDRN CC[C@H]1CCCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000915212882 620573301 /nfs/dbraw/zinc/57/33/01/620573301.db2.gz OYDFWKATPYRMSV-JWJUJFCLSA-N 0 0 318.373 3.407 20 10 DGCDRN CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2CC)c(O)c1 ZINC000915227538 620574773 /nfs/dbraw/zinc/57/47/73/620574773.db2.gz VWFPRWBCUDEUJD-KRWDZBQOSA-N 0 0 312.369 3.377 20 10 DGCDRN CCO[C@@H](C)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000915280023 620578344 /nfs/dbraw/zinc/57/83/44/620578344.db2.gz XMSIADHXHHVXOW-INIZCTEOSA-N 0 0 314.429 3.178 20 10 DGCDRN O=C(NCc1cccc(Br)c1O)C12CCC(CC1)C2 ZINC000765745824 620599243 /nfs/dbraw/zinc/59/92/43/620599243.db2.gz AAORIDQUHOEZER-UHFFFAOYSA-N 0 0 324.218 3.351 20 10 DGCDRN COc1ccc(N2CCC[N@H+](Cc3ccc(C)nc3)CC2)cc1 ZINC000153787239 620606714 /nfs/dbraw/zinc/60/67/14/620606714.db2.gz HFHCFRAATNXRBU-UHFFFAOYSA-N 0 0 311.429 3.111 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cn(C)c3ccccc23)c1 ZINC000153933571 620624357 /nfs/dbraw/zinc/62/43/57/620624357.db2.gz LPBPXURXWGJNAV-GFCCVEGCSA-N 0 0 324.380 3.384 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000852565563 620630135 /nfs/dbraw/zinc/63/01/35/620630135.db2.gz OVEJTHBWFIAPQL-SUNKGSAMSA-N 0 0 308.809 3.281 20 10 DGCDRN CCSC1(CNC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000852626403 620635031 /nfs/dbraw/zinc/63/50/31/620635031.db2.gz WFXHJFQBLMACGV-UHFFFAOYSA-N 0 0 314.838 3.131 20 10 DGCDRN Cc1cc(CC(=O)NCC2=CCOCC2)c(C)n1-c1ccccc1 ZINC000854741850 620835644 /nfs/dbraw/zinc/83/56/44/620835644.db2.gz WCGUUNOSISOTHQ-UHFFFAOYSA-N 0 0 324.424 3.100 20 10 DGCDRN CC(C)CCc1cc(NC(=O)C=Cc2ccc(O)c(O)c2)n[nH]1 ZINC000855105253 620869342 /nfs/dbraw/zinc/86/93/42/620869342.db2.gz NETVGYQSBAENMF-VMPITWQZSA-N 0 0 315.373 3.061 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)[C@@]3(C)CC=CCC3)C2)cc1 ZINC000855222821 620881290 /nfs/dbraw/zinc/88/12/90/620881290.db2.gz AZNGIKDQTGVCOK-KXBFYZLASA-N 0 0 314.429 3.137 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)/C=C(/C)C(C)(C)C)C2)cc1 ZINC000855226384 620881831 /nfs/dbraw/zinc/88/18/31/620881831.db2.gz RMOXSUNOJHLEQJ-ZSMUJPCHSA-N 0 0 316.445 3.383 20 10 DGCDRN C=Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000855224658 620881857 /nfs/dbraw/zinc/88/18/57/620881857.db2.gz GUKUQNKSHVTRNO-QGZVFWFLSA-N 0 0 322.408 3.347 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@@]3(C)C(C)C)C2)cc1 ZINC000855225523 620881930 /nfs/dbraw/zinc/88/19/30/620881930.db2.gz KANXRFCCHQHFQD-FNHZYXHNSA-N 0 0 316.445 3.072 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)/C(C)=C/C(C)(C)C)C2)cc1 ZINC000855224997 620881991 /nfs/dbraw/zinc/88/19/91/620881991.db2.gz HGXISPZKKFMCBE-ZQHYZAEZSA-N 0 0 316.445 3.383 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)CC(C)C)C2)cc1 ZINC000855228315 620882147 /nfs/dbraw/zinc/88/21/47/620882147.db2.gz ZMWYXONZXRFUHG-HUUCEWRRSA-N 0 0 304.434 3.072 20 10 DGCDRN CCCC[C@@H](C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855227623 620882346 /nfs/dbraw/zinc/88/23/46/620882346.db2.gz ZLZKPOODRIPEDH-HUUCEWRRSA-N 0 0 304.434 3.216 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)/C=C3/CC[C@H](C)C3)C2)cc1 ZINC000855233612 620882416 /nfs/dbraw/zinc/88/24/16/620882416.db2.gz JAJPQWCZCVUXFT-USPZYKGHSA-N 0 0 314.429 3.137 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)c3ccc(C)s3)C2)cc1 ZINC000855234968 620882806 /nfs/dbraw/zinc/88/28/06/620882806.db2.gz SDYHYNHQOJETDN-ZDUSSCGKSA-N 0 0 316.426 3.074 20 10 DGCDRN CCC1(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCCC1 ZINC000855233939 620882830 /nfs/dbraw/zinc/88/28/30/620882830.db2.gz PPNUYNFFRNWAQD-OAHLLOKOSA-N 0 0 316.445 3.361 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(C)cc3)C2)cc1 ZINC000855234513 620882876 /nfs/dbraw/zinc/88/28/76/620882876.db2.gz CBBWFKKGVIRDIY-MRXNPFEDSA-N 0 0 310.397 3.012 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)C(C)=C3CCCC3)C2)cc1 ZINC000855234341 620883008 /nfs/dbraw/zinc/88/30/08/620883008.db2.gz XNMLXVFPZJKCQE-INIZCTEOSA-N 0 0 314.429 3.281 20 10 DGCDRN Cc1ccc(C(=O)N2CC[C@@H](C3CCCCC3)C2)c(O)c1O ZINC000855636169 620919965 /nfs/dbraw/zinc/91/99/65/620919965.db2.gz IRODPXFCICWXHD-CQSZACIVSA-N 0 0 303.402 3.449 20 10 DGCDRN CC[C@@H](O)CNC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000855742056 620931345 /nfs/dbraw/zinc/93/13/45/620931345.db2.gz IPRKDIVIPHIVQM-OAHLLOKOSA-N 0 0 320.820 3.248 20 10 DGCDRN Cc1cc(C(=O)NC[C@@]2(C)CC2(F)F)c(C)n1-c1ccccn1 ZINC000855798046 620936990 /nfs/dbraw/zinc/93/69/90/620936990.db2.gz BAJJVJMBSRCQCG-MRXNPFEDSA-N 0 0 319.355 3.264 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C=C\c1ccc(C)nc1)CCC2 ZINC000856076281 620958242 /nfs/dbraw/zinc/95/82/42/620958242.db2.gz AHPJJRXZFWDQEX-YFHOEESVSA-N 0 0 308.381 3.391 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H]3COC[C@@H]3C2)cc1 ZINC000856152884 620965829 /nfs/dbraw/zinc/96/58/29/620965829.db2.gz HUKFYZMYHADLPG-MSOLQXFVSA-N 0 0 324.424 3.203 20 10 DGCDRN CC[C@H](C)c1nnc([C@H](C)NCc2ccc3c(c2)CCCO3)[nH]1 ZINC000922053346 620984002 /nfs/dbraw/zinc/98/40/02/620984002.db2.gz GJXNAAJGBVLXCE-STQMWFEESA-N 0 0 314.433 3.494 20 10 DGCDRN C[C@H](Oc1ccccc1)C(=O)NCCCSc1nccs1 ZINC000114374700 621003418 /nfs/dbraw/zinc/00/34/18/621003418.db2.gz SNRVQLLURIBBJQ-LBPRGKRZSA-N 0 0 322.455 3.209 20 10 DGCDRN C[C@@H](Oc1ccccc1)C(=O)NCCCSc1nccs1 ZINC000114374702 621003452 /nfs/dbraw/zinc/00/34/52/621003452.db2.gz SNRVQLLURIBBJQ-GFCCVEGCSA-N 0 0 322.455 3.209 20 10 DGCDRN O=C(CC[C@@H]1CCCCO1)NCCCSc1nccs1 ZINC000114374545 621003569 /nfs/dbraw/zinc/00/35/69/621003569.db2.gz PDQBCBKYCHULPI-LBPRGKRZSA-N 0 0 314.476 3.091 20 10 DGCDRN C[C@H](CCCC(F)(F)F)NC(=O)NCc1c(O)cccc1F ZINC000922189026 621003594 /nfs/dbraw/zinc/00/35/94/621003594.db2.gz IYCDDQTWHNEIAG-SECBINFHSA-N 0 0 322.302 3.452 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NCCC2=CCCCC2)c1 ZINC000114581188 621016199 /nfs/dbraw/zinc/01/61/99/621016199.db2.gz QJFAGYPRQYVZRK-UHFFFAOYSA-N 0 0 304.390 3.091 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cn(C)nc1Cl ZINC000856790504 621022393 /nfs/dbraw/zinc/02/23/93/621022393.db2.gz BZLNJHYLVYFTLA-CYBMUJFWSA-N 0 0 320.868 3.169 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@@H](C(F)F)C1CCCCC1 ZINC000856888692 621031435 /nfs/dbraw/zinc/03/14/35/621031435.db2.gz UPBJPOGHHFRJCG-CQSZACIVSA-N 0 0 312.360 3.405 20 10 DGCDRN CN(C)c1ccc(CN(Cc2cn(C)nc2Cl)C2CC2)cc1 ZINC000857012924 621044084 /nfs/dbraw/zinc/04/40/84/621044084.db2.gz YXXXLNMEFWTOPK-UHFFFAOYSA-N 0 0 318.852 3.304 20 10 DGCDRN C[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1CO ZINC000857062217 621053251 /nfs/dbraw/zinc/05/32/51/621053251.db2.gz ZCZGJLHJOUCBRJ-GXSJLCMTSA-N 0 0 304.217 3.149 20 10 DGCDRN COc1ccc(F)c(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000857081719 621056437 /nfs/dbraw/zinc/05/64/37/621056437.db2.gz QRPGIUZMZPIOCD-JTQLQIEISA-N 0 0 320.320 3.299 20 10 DGCDRN CO/C(=C/c1ccccc1)C(=O)NCc1ccc(N(C)C)cc1C ZINC000857126531 621059296 /nfs/dbraw/zinc/05/92/96/621059296.db2.gz DUNHPPXDVKXGQK-CPNJWEJPSA-N 0 0 324.424 3.365 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)N(C)C3CC3)cc2)CC1 ZINC000114963249 621069851 /nfs/dbraw/zinc/06/98/51/621069851.db2.gz RJCZNIHVAACVKL-UHFFFAOYSA-N 0 0 301.434 3.227 20 10 DGCDRN [NH3+][C@]12CCC[C@H]1CN(Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC000857226189 621071396 /nfs/dbraw/zinc/07/13/96/621071396.db2.gz HEZVXNRECLIZAQ-HZMBPMFUSA-N 0 0 301.217 3.012 20 10 DGCDRN Cc1nc(C)c(C(=O)NCc2ccc(N(C)C)cc2C)s1 ZINC000115281641 621094428 /nfs/dbraw/zinc/09/44/28/621094428.db2.gz ZPRIPDJQYRNSMR-UHFFFAOYSA-N 0 0 303.431 3.064 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Cc1cccc(F)c1 ZINC000115282339 621094506 /nfs/dbraw/zinc/09/45/06/621094506.db2.gz NKISAAGKRFONSX-UHFFFAOYSA-N 0 0 300.377 3.059 20 10 DGCDRN Cc1ccccc1OCC(=O)NCc1ccc(N(C)C)cc1C ZINC000115280669 621094632 /nfs/dbraw/zinc/09/46/32/621094632.db2.gz KZVMKBSZEXXICM-UHFFFAOYSA-N 0 0 312.413 3.065 20 10 DGCDRN COCc1cccc(C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000115281898 621094644 /nfs/dbraw/zinc/09/46/44/621094644.db2.gz BHMPAAIWYWIWJT-UHFFFAOYSA-N 0 0 312.413 3.137 20 10 DGCDRN COc1cccc(C(=O)NCc2cc(Cl)ccc2O)c1F ZINC000857547434 621095033 /nfs/dbraw/zinc/09/50/33/621095033.db2.gz DECPUYSAMKJRJU-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1ccc(C(F)F)nc1 ZINC000857548584 621095288 /nfs/dbraw/zinc/09/52/88/621095288.db2.gz PGIOGGZIHFEDTO-UHFFFAOYSA-N 0 0 312.703 3.308 20 10 DGCDRN COCc1cccc(CC(=O)NCc2cc(Cl)ccc2O)c1 ZINC000857548390 621095331 /nfs/dbraw/zinc/09/53/31/621095331.db2.gz LGGTXQPHOMWPCL-UHFFFAOYSA-N 0 0 319.788 3.051 20 10 DGCDRN CO[C@](C)(C(=O)NCc1cc(Cl)ccc1O)c1ccccc1 ZINC000857547891 621095648 /nfs/dbraw/zinc/09/56/48/621095648.db2.gz ZBPYCOAHVOFUCS-KRWDZBQOSA-N 0 0 319.788 3.224 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCn3cncc32)cc1 ZINC000857989830 621141234 /nfs/dbraw/zinc/14/12/34/621141234.db2.gz PVOVPQYCIDYFCC-KRWDZBQOSA-N 0 0 320.396 3.165 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N(CC2CC2)CC2CC2)cc1F ZINC000115813530 621149474 /nfs/dbraw/zinc/14/94/74/621149474.db2.gz XJUYWUCMRIQLNP-UHFFFAOYSA-N 0 0 319.424 3.223 20 10 DGCDRN C[C@H]1C[C@H](NCc2c(O)cccc2Br)c2nccn21 ZINC000858172486 621161034 /nfs/dbraw/zinc/16/10/34/621161034.db2.gz WGBROZUXFMPELF-CABZTGNLSA-N 0 0 322.206 3.147 20 10 DGCDRN CCC[C@H](C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])OCC ZINC000858210125 621164949 /nfs/dbraw/zinc/16/49/49/621164949.db2.gz GJTGNCJGYQDCLH-GFCCVEGCSA-N 0 0 316.785 3.249 20 10 DGCDRN COc1ncncc1CNCc1cc(C)n(-c2ccccc2)c1C ZINC000858294366 621172562 /nfs/dbraw/zinc/17/25/62/621172562.db2.gz GRSFPUMLWDWJAT-UHFFFAOYSA-N 0 0 322.412 3.183 20 10 DGCDRN CC[C@@H](NC(=O)NCc1cc(C)ccc1O)c1c(C)noc1C ZINC000858324860 621175541 /nfs/dbraw/zinc/17/55/41/621175541.db2.gz IREILBXYLNLBIT-CQSZACIVSA-N 0 0 317.389 3.256 20 10 DGCDRN Cc1ncccc1CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000858368295 621181708 /nfs/dbraw/zinc/18/17/08/621181708.db2.gz IIPIQYXXWQOFFN-CQSZACIVSA-N 0 0 312.417 3.016 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000858449460 621192496 /nfs/dbraw/zinc/19/24/96/621192496.db2.gz MAJBGEIVWIKEMN-NOZJJQNGSA-N 0 0 317.286 3.182 20 10 DGCDRN CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000858508358 621200286 /nfs/dbraw/zinc/20/02/86/621200286.db2.gz MYYYXYHXWLLBBS-GWCFXTLKSA-N 0 0 309.793 3.348 20 10 DGCDRN CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2Cc3ccccc3NC2=O)cc1 ZINC000858527486 621201400 /nfs/dbraw/zinc/20/14/00/621201400.db2.gz HRNYCEWFGBQXBK-AUUYWEPGSA-N 0 0 323.440 3.357 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H]2CC23CCSCC3)c1 ZINC000858549035 621203540 /nfs/dbraw/zinc/20/35/40/621203540.db2.gz ZRFKOCRWLRSZJA-AWEZNQCLSA-N 0 0 320.458 3.033 20 10 DGCDRN CO[C@H]1C[C@H]([NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])C1 ZINC000858584104 621207346 /nfs/dbraw/zinc/20/73/46/621207346.db2.gz MFVVBBJIJWFBHV-IWSPIJDZSA-N 0 0 318.186 3.122 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC2CCC3(CC3(F)F)CC2)c1 ZINC000858615318 621210238 /nfs/dbraw/zinc/21/02/38/621210238.db2.gz HEEUVVDMEUTROH-UHFFFAOYSA-N 0 0 324.371 3.468 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)CC2CC2)c1 ZINC000858625959 621210786 /nfs/dbraw/zinc/21/07/86/621210786.db2.gz HZKDRKYROPGVJM-UHFFFAOYSA-N 0 0 310.397 3.389 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCC(F)(F)C(C)(C)C)c1 ZINC000858623318 621210795 /nfs/dbraw/zinc/21/07/95/621210795.db2.gz RKEFHLHONMAONT-UHFFFAOYSA-N 0 0 300.349 3.181 20 10 DGCDRN Cc1ccc(CCNC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000116405846 621229903 /nfs/dbraw/zinc/22/99/03/621229903.db2.gz RPROFMCHCWXEKR-UHFFFAOYSA-N 0 0 311.429 3.103 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)OCCc2ccccc2)c1 ZINC000859007307 621238445 /nfs/dbraw/zinc/23/84/45/621238445.db2.gz ZLCTYJMJMLHOJE-CYBMUJFWSA-N 0 0 315.369 3.431 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC[C@@H]2CCCC23CC3)cc1 ZINC000859014637 621239273 /nfs/dbraw/zinc/23/92/73/621239273.db2.gz LWXFYQUFUPIADC-HNNXBMFYSA-N 0 0 301.434 3.132 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@@H](C)C2)c1 ZINC000859048991 621242684 /nfs/dbraw/zinc/24/26/84/621242684.db2.gz WEESQCDDEDWPNU-CYBMUJFWSA-N 0 0 310.397 3.389 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]2C2CC2)cc1F ZINC000838392580 621244627 /nfs/dbraw/zinc/24/46/27/621244627.db2.gz WCAKHOQAIXCFIW-MRXNPFEDSA-N 0 0 319.424 3.366 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NCC2(C3CCC3)CCC2)c1 ZINC000838473826 621257900 /nfs/dbraw/zinc/25/79/00/621257900.db2.gz CHFFNLANHYCVGA-UHFFFAOYSA-N 0 0 318.417 3.170 20 10 DGCDRN CC(C)C[C@@H]1C[C@H]1NC(=O)NCCCSc1nccs1 ZINC000838514589 621261586 /nfs/dbraw/zinc/26/15/86/621261586.db2.gz RSYCAUBWLQQUJG-VXGBXAGGSA-N 0 0 313.492 3.359 20 10 DGCDRN CC(C)[C@@]1(C)C[C@H]1NC(=O)NCCCSc1nccs1 ZINC000838515485 621261679 /nfs/dbraw/zinc/26/16/79/621261679.db2.gz WWJGLZNYEOICON-BXUZGUMPSA-N 0 0 313.492 3.359 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(N(C)C)cc1 ZINC000838559785 621263019 /nfs/dbraw/zinc/26/30/19/621263019.db2.gz QEGVYGRJTDYZOM-QIJZBDPFSA-N 0 0 301.434 3.301 20 10 DGCDRN CC[C@H]1CCC[C@@H]1CNC(=O)NCc1cccc(OC)c1O ZINC000838648313 621269168 /nfs/dbraw/zinc/26/91/68/621269168.db2.gz HFUXKVLRGXDRMV-QWHCGFSZSA-N 0 0 306.406 3.026 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2C[C@H]2CC(C)C)c1 ZINC000838754098 621275479 /nfs/dbraw/zinc/27/54/79/621275479.db2.gz FGYCPMMJHMIVOB-YWPYICTPSA-N 0 0 306.406 3.196 20 10 DGCDRN CC(C)[C@]1(C)C[C@@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000838767099 621276261 /nfs/dbraw/zinc/27/62/61/621276261.db2.gz WIJBOUGZTHBDQO-WMZOPIPTSA-N 0 0 303.450 3.329 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC2CC(C)C2)cc1 ZINC000859820698 621330365 /nfs/dbraw/zinc/33/03/65/621330365.db2.gz WRHVGUUTKMIASL-UHFFFAOYSA-N 0 0 324.424 3.364 20 10 DGCDRN Oc1ccc(Br)cc1CN1CC2(CC(F)C2)C1 ZINC000839139133 621340453 /nfs/dbraw/zinc/34/04/53/621340453.db2.gz CMPPLDUBVJMACZ-UHFFFAOYSA-N 0 0 300.171 3.089 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1ccn(C)n1 ZINC000839192467 621347784 /nfs/dbraw/zinc/34/77/84/621347784.db2.gz UAYXJCUZBGORJA-QMMMGPOBSA-N 0 0 300.189 3.283 20 10 DGCDRN CCN(CC)c1ccc(CN(C)[C@H](C)c2nnc(C)[nH]2)cc1 ZINC000839459600 621378346 /nfs/dbraw/zinc/37/83/46/621378346.db2.gz OSSQCVKCJMTEDK-CYBMUJFWSA-N 0 0 301.438 3.152 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2C[C@H]2c2cccc(O)c2)cc1 ZINC000839468155 621378619 /nfs/dbraw/zinc/37/86/19/621378619.db2.gz QHCKLBIHUMUIBZ-RBUKOAKNSA-N 0 0 324.424 3.220 20 10 DGCDRN c1cc2ncnc(NCc3ccc(N4CCCC4)cc3)c2cn1 ZINC000752628790 621402580 /nfs/dbraw/zinc/40/25/80/621402580.db2.gz XZHCZIDIMKHAHN-UHFFFAOYSA-N 0 0 305.385 3.237 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc(N(C)C)c(C)c2)c1 ZINC000860422307 621403204 /nfs/dbraw/zinc/40/32/04/621403204.db2.gz LKTQOXACWSHGDC-UHFFFAOYSA-N 0 0 313.401 3.397 20 10 DGCDRN Cc1cc(NC(=O)NCc2cc(C)ccc2O)n(C(C)(C)C)n1 ZINC000860482378 621409896 /nfs/dbraw/zinc/40/98/96/621409896.db2.gz FLMFKPZODQHWPO-UHFFFAOYSA-N 0 0 316.405 3.282 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2nnc(C(C)(C)C)s2)c1 ZINC000860497774 621411641 /nfs/dbraw/zinc/41/16/41/621411641.db2.gz MQJGPTQWYLNZKW-UHFFFAOYSA-N 0 0 320.418 3.171 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NC[C@H]2CCCCS2)cc1 ZINC000753261584 621434317 /nfs/dbraw/zinc/43/43/17/621434317.db2.gz IOBMNCGVVVFHAN-MRXNPFEDSA-N 0 0 321.490 3.180 20 10 DGCDRN CS[C@H](CNC(=O)N(C)Cc1ccccc1O)C(C)(C)C ZINC000753282965 621435730 /nfs/dbraw/zinc/43/57/30/621435730.db2.gz GFRFTKLBVXYAQO-CQSZACIVSA-N 0 0 310.463 3.311 20 10 DGCDRN CC[C@H](CNC(=O)C1=CC(=O)CS1)Oc1cccc(F)c1 ZINC000753340454 621437407 /nfs/dbraw/zinc/43/74/07/621437407.db2.gz BZVIGXOFVAVSHG-GFCCVEGCSA-N 0 0 309.362 3.180 20 10 DGCDRN CC[C@@H](CNC(=O)C1=CC(=O)CS1)Oc1cccc(F)c1 ZINC000753340456 621437483 /nfs/dbraw/zinc/43/74/83/621437483.db2.gz BZVIGXOFVAVSHG-LBPRGKRZSA-N 0 0 309.362 3.180 20 10 DGCDRN COCCCONC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000805040722 621438234 /nfs/dbraw/zinc/43/82/34/621438234.db2.gz VNOSPTQEQLGWFI-UHFFFAOYSA-N 0 0 316.401 3.100 20 10 DGCDRN Cc1ccc(N2CC[NH+](Cc3cccc(F)c3[O-])CC2)cc1 ZINC000753574798 621450607 /nfs/dbraw/zinc/45/06/07/621450607.db2.gz FFELMFWOWSDKSX-UHFFFAOYSA-N 0 0 300.377 3.162 20 10 DGCDRN COC(=O)COc1ccc(N(C)[C@H](C)Cc2ccsc2)cc1 ZINC000753592614 621452331 /nfs/dbraw/zinc/45/23/31/621452331.db2.gz ZHKYURYXBSUVIO-CYBMUJFWSA-N 0 0 319.426 3.367 20 10 DGCDRN CCN(CC1CCC2(CC1)OCCO2)c1ccc(OC)cc1 ZINC000753737480 621462461 /nfs/dbraw/zinc/46/24/61/621462461.db2.gz GRGYAKQACZDOLF-UHFFFAOYSA-N 0 0 305.418 3.455 20 10 DGCDRN CCC(C)(C)CC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000753739519 621462470 /nfs/dbraw/zinc/46/24/70/621462470.db2.gz GMCCBAGZEFFVCK-UHFFFAOYSA-N 0 0 322.424 3.309 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CC(C)(C)OC[C@@H]2C)c1O ZINC000753834269 621467629 /nfs/dbraw/zinc/46/76/29/621467629.db2.gz PEKHYLDFEDGGJE-JTQLQIEISA-N 0 0 311.809 3.248 20 10 DGCDRN O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)C1=CC(=O)CS1 ZINC000753849828 621468874 /nfs/dbraw/zinc/46/88/74/621468874.db2.gz GDMDGWSHTFEGSK-IUODEOHRSA-N 0 0 317.410 3.351 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CNc2cccc(Cl)c2)cc1 ZINC000753914812 621471129 /nfs/dbraw/zinc/47/11/29/621471129.db2.gz CBNNFQDYVOUBOW-UHFFFAOYSA-N 0 0 317.820 3.134 20 10 DGCDRN COc1ccc(N(C)C[C@@H](O)CCc2ccccc2)cc1OC ZINC000754019040 621480433 /nfs/dbraw/zinc/48/04/33/621480433.db2.gz OLUCDAYULVFZIG-KRWDZBQOSA-N 0 0 315.413 3.134 20 10 DGCDRN COc1ccc(N(C)C[C@H](O)CCc2ccccc2)cc1OC ZINC000754019043 621480443 /nfs/dbraw/zinc/48/04/43/621480443.db2.gz OLUCDAYULVFZIG-QGZVFWFLSA-N 0 0 315.413 3.134 20 10 DGCDRN CO[C@H]1C[C@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000881571399 625492134 /nfs/dbraw/zinc/49/21/34/625492134.db2.gz FNFBRIVIMAPEIU-RZDIXWSQSA-N 0 0 312.413 3.249 20 10 DGCDRN CCOCCCOC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000118150179 621499998 /nfs/dbraw/zinc/49/99/98/621499998.db2.gz KIASRVKJARAEMX-UHFFFAOYSA-N 0 0 302.374 3.073 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCc1ccon1 ZINC000754384793 621507296 /nfs/dbraw/zinc/50/72/96/621507296.db2.gz FRNVKLZCKAQKKD-UHFFFAOYSA-N 0 0 323.396 3.363 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cccc(F)n2)cc1F ZINC000754426049 621510210 /nfs/dbraw/zinc/51/02/10/621510210.db2.gz VNEASLHIJWRSRF-UHFFFAOYSA-N 0 0 319.355 3.136 20 10 DGCDRN COCC[C@@H](C)OC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000754590886 621519203 /nfs/dbraw/zinc/51/92/03/621519203.db2.gz AHSJNJKKJSKUAN-CYBMUJFWSA-N 0 0 302.374 3.071 20 10 DGCDRN CCCCSCC(=O)NCc1ccc2cccnc2c1O ZINC000862029376 621551041 /nfs/dbraw/zinc/55/10/41/621551041.db2.gz WWIIUSWQHFIANT-UHFFFAOYSA-N 0 0 304.415 3.090 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000862044721 621551957 /nfs/dbraw/zinc/55/19/57/621551957.db2.gz NOWOMZKZVRCLRV-ALXJQNPVSA-N 0 0 322.408 3.435 20 10 DGCDRN CN(C)c1cc(F)c(C[N@H+](C[C@@H]2CCOC2)C2CC2)cc1F ZINC000862218378 621562861 /nfs/dbraw/zinc/56/28/61/621562861.db2.gz KSLXAHPMUYCUIE-LBPRGKRZSA-N 0 0 310.388 3.032 20 10 DGCDRN COCCN(Cc1ccco1)Cc1cc(F)c(N(C)C)cc1F ZINC000862224314 621563385 /nfs/dbraw/zinc/56/33/85/621563385.db2.gz PLMSTZVXRBZTKB-UHFFFAOYSA-N 0 0 324.371 3.272 20 10 DGCDRN Cc1cccc(CN(C)Cc2c(O)cccc2Br)n1 ZINC000862247809 621567251 /nfs/dbraw/zinc/56/72/51/621567251.db2.gz CSKMWHLIGFFJPM-UHFFFAOYSA-N 0 0 321.218 3.490 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000862468860 621592926 /nfs/dbraw/zinc/59/29/26/621592926.db2.gz QIWXEDKWRNSMGJ-NSHDSACASA-N 0 0 322.758 3.004 20 10 DGCDRN CC(C)CC[C@H](CO)[NH2+]Cc1ccc(Br)cc1O ZINC000862481142 621593642 /nfs/dbraw/zinc/59/36/42/621593642.db2.gz TUDSORXROKPZJP-CYBMUJFWSA-N 0 0 316.239 3.041 20 10 DGCDRN CC(C)[C@@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000755967641 621607199 /nfs/dbraw/zinc/60/71/99/621607199.db2.gz APOMPALNGSKXJA-QGZVFWFLSA-N 0 0 315.461 3.257 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](C(C)C)C1 ZINC000756035159 621611311 /nfs/dbraw/zinc/61/13/11/621611311.db2.gz DUGRGRBKTDJYOE-MRXNPFEDSA-N 0 0 303.450 3.249 20 10 DGCDRN CCN(CC[NH2+][C@H](C)c1ccc(F)cc1[O-])CCC(F)(F)F ZINC000756051435 621612231 /nfs/dbraw/zinc/61/22/31/621612231.db2.gz WQSDVDIEGXSPNZ-LLVKDONJSA-N 0 0 322.346 3.456 20 10 DGCDRN Cc1ccc(CO[C@H](C)C(=O)NCc2cc(C)ccc2O)cc1 ZINC000862754135 621613373 /nfs/dbraw/zinc/61/33/73/621613373.db2.gz RZKCSNOTRKNGQJ-OAHLLOKOSA-N 0 0 313.397 3.231 20 10 DGCDRN Cc1csc(CCCC(=O)NCc2cc(C)ccc2O)n1 ZINC000862756220 621613717 /nfs/dbraw/zinc/61/37/17/621613717.db2.gz UDGLKVGRUSBJMO-UHFFFAOYSA-N 0 0 304.415 3.105 20 10 DGCDRN CCOc1cccc(CCC(=O)NCc2cc(C)ccc2O)c1 ZINC000862754445 621613817 /nfs/dbraw/zinc/61/38/17/621613817.db2.gz YEHNTMQRGLTRCG-UHFFFAOYSA-N 0 0 313.397 3.348 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)COC[C@H](C)c2ccccc2)c1 ZINC000862754724 621613887 /nfs/dbraw/zinc/61/38/87/621613887.db2.gz IKDAHWXVRCQHLG-HNNXBMFYSA-N 0 0 313.397 3.137 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000862756906 621613965 /nfs/dbraw/zinc/61/39/65/621613965.db2.gz AEGIGFLDISBZMS-RHSMWYFYSA-N 0 0 305.418 3.158 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Cc2ccccc2OC(C)C)c1 ZINC000862758683 621614212 /nfs/dbraw/zinc/61/42/12/621614212.db2.gz HCSXVYOBQAPLPE-UHFFFAOYSA-N 0 0 313.397 3.347 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@H](C)Cc2cccc(F)c2)c1 ZINC000862758806 621614244 /nfs/dbraw/zinc/61/42/44/621614244.db2.gz MCJNYMIJJRLRHD-CYBMUJFWSA-N 0 0 301.361 3.335 20 10 DGCDRN COC(=O)[C@@H](CC1CCCCC1)NCc1cc(OC)ccc1O ZINC000756147827 621618979 /nfs/dbraw/zinc/61/89/79/621618979.db2.gz WJZSWKSDGROBML-MRXNPFEDSA-N 0 0 321.417 3.002 20 10 DGCDRN CC[C@@H](CO)[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756338981 621628751 /nfs/dbraw/zinc/62/87/51/621628751.db2.gz BCPVKAVVTDUPLE-APPZFPTMSA-N 0 0 322.630 3.230 20 10 DGCDRN C[C@H]([NH2+]C[C@H](Cc1ccccc1)N(C)C)c1ccc(F)cc1[O-] ZINC000756340349 621629121 /nfs/dbraw/zinc/62/91/21/621629121.db2.gz DWWUSEKJJQTFQI-YOEHRIQHSA-N 0 0 316.420 3.355 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(F)c(C)c2)c1 ZINC000756367170 621631943 /nfs/dbraw/zinc/63/19/43/621631943.db2.gz XFUMYAFHNZTNKU-GFCCVEGCSA-N 0 0 317.360 3.477 20 10 DGCDRN CC(C)C[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])N(C)C ZINC000756400004 621635586 /nfs/dbraw/zinc/63/55/86/621635586.db2.gz SMDNPDMJRKSLTI-WCQYABFASA-N 0 0 300.393 3.297 20 10 DGCDRN C[C@@H]([NH2+]CCN(C)C1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756454959 621639411 /nfs/dbraw/zinc/63/94/11/621639411.db2.gz GUJYGAFTXZJOOW-CYBMUJFWSA-N 0 0 321.421 3.216 20 10 DGCDRN COC[C@@H](C)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756464873 621640030 /nfs/dbraw/zinc/64/00/30/621640030.db2.gz IATSZCWWORVZES-IUCAKERBSA-N 0 0 320.202 3.227 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)COc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756495501 621641923 /nfs/dbraw/zinc/64/19/23/621641923.db2.gz RVZHMIMCEQUEIV-QWHCGFSZSA-N 0 0 316.357 3.419 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(F)cc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756494001 621641960 /nfs/dbraw/zinc/64/19/60/621641960.db2.gz CMMGJUWSWJLEKW-VIFPVBQESA-N 0 0 308.284 3.429 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](C)N1CCC(C)CC1)c1cc(F)cc(F)c1[O-] ZINC000756504027 621642946 /nfs/dbraw/zinc/64/29/46/621642946.db2.gz OPZGFTBMIGOZHY-QWHCGFSZSA-N 0 0 312.404 3.441 20 10 DGCDRN Cc1cc(CNC(=O)/C=C\[C@@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000863163641 621644246 /nfs/dbraw/zinc/64/42/46/621644246.db2.gz LCHHEVUSHABYTK-XZVRFQMRSA-N 0 0 324.424 3.303 20 10 DGCDRN Cc1cc(CNC(=O)C2CCC(=O)CC2)c(C)n1-c1ccccc1 ZINC000863166130 621644548 /nfs/dbraw/zinc/64/45/48/621644548.db2.gz UOJYPEQKOBHOCG-UHFFFAOYSA-N 0 0 324.424 3.470 20 10 DGCDRN CS[C@H](C)C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000863166494 621644769 /nfs/dbraw/zinc/64/47/69/621644769.db2.gz VHCXWYWKCWMEGZ-CQSZACIVSA-N 0 0 302.443 3.462 20 10 DGCDRN COCC[C@@H](C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756528744 621645478 /nfs/dbraw/zinc/64/54/78/621645478.db2.gz WOVKGYLXFVFGGF-BDAKNGLRSA-N 0 0 320.202 3.369 20 10 DGCDRN COc1nc(C)cc(C)c1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000756536673 621646065 /nfs/dbraw/zinc/64/60/65/621646065.db2.gz SMQGNLYOYXOMRU-GFCCVEGCSA-N 0 0 304.365 3.403 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cc(F)ccc2F)c1 ZINC000756549380 621647200 /nfs/dbraw/zinc/64/72/00/621647200.db2.gz NJCCWNFCHHICJC-JTQLQIEISA-N 0 0 321.323 3.308 20 10 DGCDRN CC[S@@](=O)CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756576158 621650536 /nfs/dbraw/zinc/65/05/36/621650536.db2.gz LFXBDDZPKPAUMX-NTCNTBNZSA-N 0 0 310.246 3.118 20 10 DGCDRN CC[C@@H]1CCCCN1CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756575332 621650727 /nfs/dbraw/zinc/65/07/27/621650727.db2.gz PDTRORZJYHPYGG-ZIAGYGMSSA-N 0 0 321.421 3.216 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)CCO)c1cc(Br)cc(Cl)c1[O-] ZINC000756592392 621651820 /nfs/dbraw/zinc/65/18/20/621651820.db2.gz HYOCRAZIHIYRFN-JGVFFNPUSA-N 0 0 322.630 3.230 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@](C)(O)CCC(C)C)c1 ZINC000756601838 621652133 /nfs/dbraw/zinc/65/21/33/621652133.db2.gz BKEBAQVEWHUBEJ-FZKQIMNGSA-N 0 0 323.433 3.017 20 10 DGCDRN CCc1cnc(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000756606774 621652803 /nfs/dbraw/zinc/65/28/03/621652803.db2.gz BJEXFBBZMOXBBT-SNVBAGLBSA-N 0 0 321.402 3.213 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2C[C@](C)(OC)C2(C)C)c1 ZINC000756625384 621653551 /nfs/dbraw/zinc/65/35/51/621653551.db2.gz KAAFRRRCVLKHEO-GYOIFBIXSA-N 0 0 321.417 3.033 20 10 DGCDRN CC(C)C[C@@H](CCO)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756624905 621653734 /nfs/dbraw/zinc/65/37/34/621653734.db2.gz HGOFDJFZZMWOQJ-VXGBXAGGSA-N 0 0 301.377 3.366 20 10 DGCDRN C[C@@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccncc1 ZINC000756633237 621654475 /nfs/dbraw/zinc/65/44/75/621654475.db2.gz GUYPLBAMPLLNGJ-NWDGAFQWSA-N 0 0 301.346 3.150 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1CSCCS1)c1cc(F)cc(F)c1[O-] ZINC000756640158 621655263 /nfs/dbraw/zinc/65/52/63/621655263.db2.gz KEDTYSXKICRMOF-SCZZXKLOSA-N 0 0 305.415 3.170 20 10 DGCDRN COC1CCC(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000756643592 621655499 /nfs/dbraw/zinc/65/54/99/621655499.db2.gz WCTFVWDAROVQMI-LKSINWNRSA-N 0 0 308.378 3.156 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)c2cnccc2C)c1 ZINC000756675958 621658469 /nfs/dbraw/zinc/65/84/69/621658469.db2.gz JHBFXPRCHGSITI-QWHCGFSZSA-N 0 0 314.385 3.294 20 10 DGCDRN CCC1(O)CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000756674951 621658559 /nfs/dbraw/zinc/65/85/59/621658559.db2.gz DZUJNVXWHLNVHN-FZWSLVFFSA-N 0 0 308.378 3.035 20 10 DGCDRN CC(C)OC(=O)N1CCC([NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000756705197 621659030 /nfs/dbraw/zinc/65/90/30/621659030.db2.gz DOVAXORVFOHANB-LBPRGKRZSA-N 0 0 324.396 3.191 20 10 DGCDRN C[C@@H]([NH2+]CCc1cccc(F)c1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756713013 621659411 /nfs/dbraw/zinc/65/94/11/621659411.db2.gz UGWKOMHBTZIFKV-SNVBAGLBSA-N 0 0 322.311 3.472 20 10 DGCDRN C[C@H]([NH2+]CC1Cc2ccccc2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756711048 621659819 /nfs/dbraw/zinc/65/98/19/621659819.db2.gz HTUSBGHUVYNICM-LBPRGKRZSA-N 0 0 312.369 3.366 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1ccc(F)cc1[O-] ZINC000756741916 621661680 /nfs/dbraw/zinc/66/16/80/621661680.db2.gz YRMCJZUPSGTUNE-RFAUZJTJSA-N 0 0 311.303 3.194 20 10 DGCDRN C[C@H]([NH2+][C@H](c1cccnc1)C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756786054 621664298 /nfs/dbraw/zinc/66/42/98/621664298.db2.gz WYSPXGBOCUJRHD-GTNSWQLSSA-N 0 0 313.357 3.497 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(Cl)o2)c1 ZINC000756791926 621664735 /nfs/dbraw/zinc/66/47/35/621664735.db2.gz YVMVGXLBRWPHQZ-SECBINFHSA-N 0 0 309.749 3.276 20 10 DGCDRN Cc1ccc([C@H](C)Nc2ccc(N(C)CCO)cn2)c(O)c1C ZINC000756844524 621667500 /nfs/dbraw/zinc/66/75/00/621667500.db2.gz JTCJDRMPEAHYKV-AWEZNQCLSA-N 0 0 315.417 3.006 20 10 DGCDRN CC[C@@H]1CC[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)O1 ZINC000756916348 621672841 /nfs/dbraw/zinc/67/28/41/621672841.db2.gz LWNYURVRYYSAPX-MSOLQXFVSA-N 0 0 318.461 3.447 20 10 DGCDRN Cc1ccc(C(=O)NCC2(C(F)(F)F)CCCC2)c(O)c1O ZINC000863507877 621679158 /nfs/dbraw/zinc/67/91/58/621679158.db2.gz INFYFYTUOQRMNI-UHFFFAOYSA-N 0 0 317.307 3.259 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CC[C@@H](C)NC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000863544770 621682576 /nfs/dbraw/zinc/68/25/76/621682576.db2.gz AQHCDSIKWIQGHJ-BBBLOLIVSA-N 0 0 303.233 3.490 20 10 DGCDRN CC(C)[C@@H](NC(=O)CN(C)c1ccc(N)cc1)c1ccccc1 ZINC000863557773 621683434 /nfs/dbraw/zinc/68/34/34/621683434.db2.gz ULDOSZCYFKAUTI-LJQANCHMSA-N 0 0 311.429 3.219 20 10 DGCDRN COc1cc2c(c(OC)c1)N(Cc1nc(C)cs1)CCC2 ZINC000839656847 621704651 /nfs/dbraw/zinc/70/46/51/621704651.db2.gz UHWAKXPFSNKUBO-UHFFFAOYSA-N 0 0 304.415 3.422 20 10 DGCDRN COc1cc2c(c(OC)c1)N(C[C@@H](O)c1ccccc1)CCC2 ZINC000839657038 621704957 /nfs/dbraw/zinc/70/49/57/621704957.db2.gz ZDHDSLSANAOAJW-QGZVFWFLSA-N 0 0 313.397 3.190 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2)c1 ZINC000103530449 621707280 /nfs/dbraw/zinc/70/72/80/621707280.db2.gz PVUMGILHKJYZGW-QWHCGFSZSA-N 0 0 315.369 3.046 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C[C@@H](C)SC)cc1F ZINC000119693680 621716748 /nfs/dbraw/zinc/71/67/48/621716748.db2.gz FXYUDGDJGLVFOB-GFCCVEGCSA-N 0 0 312.454 3.430 20 10 DGCDRN C[C@@H](NC(=O)[C@H]1CCc2ccccc2O1)c1ccc(N(C)C)cc1 ZINC000839727648 621717455 /nfs/dbraw/zinc/71/74/55/621717455.db2.gz AEBIMXZXKMKHFQ-AUUYWEPGSA-N 0 0 324.424 3.324 20 10 DGCDRN C[C@H]1CO[C@H](C(F)(F)F)CN1Cc1cc(Cl)ccc1O ZINC000809696752 621719259 /nfs/dbraw/zinc/71/92/59/621719259.db2.gz QCUXRVBXXHLMBX-UFBFGSQYSA-N 0 0 309.715 3.197 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H](CC)C(=O)OCC ZINC000839759023 621721479 /nfs/dbraw/zinc/72/14/79/621721479.db2.gz HYSBRXPEZRMRJA-OAHLLOKOSA-N 0 0 321.417 3.110 20 10 DGCDRN NC(=O)c1ccc(F)c(NCc2c(O)ccc(Cl)c2F)c1 ZINC000863997727 621725119 /nfs/dbraw/zinc/72/51/19/621725119.db2.gz VRUYZYLPOCWHAE-UHFFFAOYSA-N 0 0 312.703 3.035 20 10 DGCDRN COc1cccc(CNc2cccc(N=S(C)(C)=O)c2)c1O ZINC000864015102 621727367 /nfs/dbraw/zinc/72/73/67/621727367.db2.gz FADBKJYNNKMFKP-UHFFFAOYSA-N 0 0 320.414 3.372 20 10 DGCDRN COc1nccc2c(NCc3cc4c(cc3O)OCO4)cccc21 ZINC000864014372 621727368 /nfs/dbraw/zinc/72/73/68/621727368.db2.gz OKOQTLHHMQXMGZ-UHFFFAOYSA-N 0 0 324.336 3.290 20 10 DGCDRN Cc1ccc(O)c([C@H](C)Nc2cccc([C@H]3CNC(=O)C3)c2)c1 ZINC000757619534 621728949 /nfs/dbraw/zinc/72/89/49/621728949.db2.gz QMSVZYHBAAQLLK-DZGCQCFKSA-N 0 0 310.397 3.477 20 10 DGCDRN C[C@@H](Nc1cccc([C@@H]2CNC(=O)C2)c1)c1ccc(F)cc1O ZINC000757619079 621729019 /nfs/dbraw/zinc/72/90/19/621729019.db2.gz KJXQLDIWIPQJRV-YPMHNXCESA-N 0 0 314.360 3.308 20 10 DGCDRN CNC(=O)c1ccc(NCc2cc(F)c(N(C)C)cc2F)cc1 ZINC000864035944 621729994 /nfs/dbraw/zinc/72/99/94/621729994.db2.gz RCXAIGVXFNKUKH-UHFFFAOYSA-N 0 0 319.355 3.003 20 10 DGCDRN COc1ccc(N(C)CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1F ZINC000757851037 621742728 /nfs/dbraw/zinc/74/27/28/621742728.db2.gz BKRIPFPZZZRIPY-XJKCOSOUSA-N 0 0 322.424 3.211 20 10 DGCDRN COc1ccc(N(C)CC(=O)N[C@H]2CCCC[C@H]2C)cc1Cl ZINC000757857468 621743240 /nfs/dbraw/zinc/74/32/40/621743240.db2.gz URDFHTGTPSQPBL-DOMZBBRYSA-N 0 0 324.852 3.480 20 10 DGCDRN COC(=O)c1cc(F)ccc1CN(C)c1ccc(OC)c(F)c1 ZINC000757853204 621743520 /nfs/dbraw/zinc/74/35/20/621743520.db2.gz WHQRMLAFIWDJKA-UHFFFAOYSA-N 0 0 321.323 3.396 20 10 DGCDRN O=C(C1=CC(=O)CS1)N(Cc1ccco1)Cc1cccnc1 ZINC000757911553 621746199 /nfs/dbraw/zinc/74/61/99/621746199.db2.gz BRTVWAPSPKRHML-UHFFFAOYSA-N 0 0 314.366 3.284 20 10 DGCDRN Oc1ccc(F)cc1CN1CCO[C@H](CCc2ccccc2)C1 ZINC000757994122 621751927 /nfs/dbraw/zinc/75/19/27/621751927.db2.gz HFMSSXKCAMIMQQ-GOSISDBHSA-N 0 0 315.388 3.365 20 10 DGCDRN CCN1C(=O)/C(=C/c2ccc(C(F)F)nc2)SC1=S ZINC000864363234 621760868 /nfs/dbraw/zinc/76/08/68/621760868.db2.gz NUEXPGBMVWBAEP-UITAMQMPSA-N 0 0 300.355 3.240 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC000015134412 621767580 /nfs/dbraw/zinc/76/75/80/621767580.db2.gz RQRZYOFIHIOPSN-UHFFFAOYSA-N 0 0 324.211 3.384 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc(OC(F)F)cc2)cc1 ZINC000015134686 621767653 /nfs/dbraw/zinc/76/76/53/621767653.db2.gz TZPJKZKXXWZPCK-UHFFFAOYSA-N 0 0 320.339 3.284 20 10 DGCDRN Cc1cc(C(=O)Nc2ccnn2C)c(C)n1-c1cccc(C)c1 ZINC000120064312 621769444 /nfs/dbraw/zinc/76/94/44/621769444.db2.gz OXTQBUVNQQCZJU-UHFFFAOYSA-N 0 0 308.385 3.388 20 10 DGCDRN Cc1occc1-c1nnc(NCc2ccc(N(C)C)c(F)c2)o1 ZINC000758440200 621782311 /nfs/dbraw/zinc/78/23/11/621782311.db2.gz CMGRANDZASCRQV-UHFFFAOYSA-N 0 0 316.336 3.455 20 10 DGCDRN OC[C@H](CC(F)F)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000758616103 621791727 /nfs/dbraw/zinc/79/17/27/621791727.db2.gz QAQMBLXRLHTVBE-HNNXBMFYSA-N 0 0 307.340 3.165 20 10 DGCDRN C[C@@H]1CCCC[C@@]1(C)n1cc(COc2ccc(N)cc2)nn1 ZINC000864630647 621794056 /nfs/dbraw/zinc/79/40/56/621794056.db2.gz LNYVFMXAEBPLLC-CXAGYDPISA-N 0 0 300.406 3.365 20 10 DGCDRN C[C@H]1CCCC[C@@]1(C)n1cc(COc2ccc(N)cc2)nn1 ZINC000864630655 621794245 /nfs/dbraw/zinc/79/42/45/621794245.db2.gz LNYVFMXAEBPLLC-SUMWQHHRSA-N 0 0 300.406 3.365 20 10 DGCDRN O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)C1=CC(=O)CS1 ZINC000758716631 621797999 /nfs/dbraw/zinc/79/79/99/621797999.db2.gz ZURWRFNQVJANJM-JSGCOSHPSA-N 0 0 321.373 3.243 20 10 DGCDRN C[C@@H]1C[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)[C@@H](C)O1 ZINC000864786458 621813339 /nfs/dbraw/zinc/81/33/39/621813339.db2.gz SGHQDCCBEGWHMA-LBTNJELSSA-N 0 0 316.445 3.057 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)c3ccccc3N)cc2)CC1 ZINC000120264595 621822479 /nfs/dbraw/zinc/82/24/79/621822479.db2.gz BJLLVINBMROMOD-UHFFFAOYSA-N 0 0 323.440 3.435 20 10 DGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cncc(F)c1 ZINC000759171849 621831507 /nfs/dbraw/zinc/83/15/07/621831507.db2.gz MXERSERYSXUOCN-UHFFFAOYSA-N 0 0 313.376 3.141 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc(F)cc1C ZINC000865027635 621848012 /nfs/dbraw/zinc/84/80/12/621848012.db2.gz YCRJLNDTILPXEE-UHFFFAOYSA-N 0 0 315.392 3.257 20 10 DGCDRN CCC(=O)CCCOC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000759468756 621862588 /nfs/dbraw/zinc/86/25/88/621862588.db2.gz TWYVHOFRZDASDN-UHFFFAOYSA-N 0 0 320.414 3.411 20 10 DGCDRN CC(C)CONC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000120435217 621872005 /nfs/dbraw/zinc/87/20/05/621872005.db2.gz ZAARAEPVYCQHGH-UHFFFAOYSA-N 0 0 319.449 3.406 20 10 DGCDRN CC(C)CSCCCOC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000759579770 621873122 /nfs/dbraw/zinc/87/31/22/621873122.db2.gz OKMREMVURNHNAN-ALCCZGGFSA-N 0 0 310.415 3.434 20 10 DGCDRN Cc1cc(F)ccc1COC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000759596295 621874196 /nfs/dbraw/zinc/87/41/96/621874196.db2.gz UEPMLIXFPDQVIS-XVNBXDOJSA-N 0 0 302.301 3.302 20 10 DGCDRN CN(C)c1cc(F)c(CNc2ccc(C3CC3)nn2)cc1F ZINC000865290596 621891199 /nfs/dbraw/zinc/89/11/99/621891199.db2.gz BTUYFWWLRINWPJ-UHFFFAOYSA-N 0 0 304.344 3.310 20 10 DGCDRN c1cc(N2CCCCC2)ccc1CNc1ncc2c(n1)COC2 ZINC000865294369 621891646 /nfs/dbraw/zinc/89/16/46/621891646.db2.gz JIHVLPNXLOWCMG-UHFFFAOYSA-N 0 0 310.401 3.109 20 10 DGCDRN C[C@@H]1C[C@@H]1c1nnc(NCc2cc(F)c(N(C)C)cc2F)o1 ZINC000865294852 621892261 /nfs/dbraw/zinc/89/22/61/621892261.db2.gz VBPUDCGHOAVDMM-SCZZXKLOSA-N 0 0 308.332 3.149 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)OCCc2ccnn2C)cc1 ZINC000759917082 621901901 /nfs/dbraw/zinc/90/19/01/621901901.db2.gz ZVXWABUFOSFUEN-UHFFFAOYSA-N 0 0 323.396 3.227 20 10 DGCDRN CC(C)Oc1ccc(N(C)C[C@@H](O)COc2ccccc2)cc1 ZINC000759929367 621903415 /nfs/dbraw/zinc/90/34/15/621903415.db2.gz VBWOUFWFVVSJJG-QGZVFWFLSA-N 0 0 315.413 3.350 20 10 DGCDRN CC(C)Oc1ccc(N(C)CCNC(=O)OC(C)(C)C)cc1 ZINC000759933693 621903800 /nfs/dbraw/zinc/90/38/00/621903800.db2.gz ONEQDQBPHWZNMJ-UHFFFAOYSA-N 0 0 308.422 3.435 20 10 DGCDRN CCN(CC(F)(F)F)C(=O)CSc1ncc(Cl)s1 ZINC000865372670 621904367 /nfs/dbraw/zinc/90/43/67/621904367.db2.gz UWVNTHSOVCRAFN-UHFFFAOYSA-N 0 0 318.773 3.299 20 10 DGCDRN COC(=O)c1cc(OCc2ncc(C(C)C)o2)ccc1N(C)C ZINC000865396693 621909509 /nfs/dbraw/zinc/90/95/09/621909509.db2.gz ZHVNLZWGJYHHEK-UHFFFAOYSA-N 0 0 318.373 3.230 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)C[C@H]1CCOC1 ZINC000760192115 621920098 /nfs/dbraw/zinc/92/00/98/621920098.db2.gz FYIAHBGKJXYSHF-HUUCEWRRSA-N 0 0 320.433 3.129 20 10 DGCDRN COc1cccc(CNc2nccn3nc(C4CCC4)cc23)c1O ZINC000865502306 621937602 /nfs/dbraw/zinc/93/76/02/621937602.db2.gz JWGKTBTUXJQKHD-UHFFFAOYSA-N 0 0 324.384 3.323 20 10 DGCDRN Cc1cccc(C(=O)Nc2cccc(N3CCOCC3)c2)c1F ZINC000760413818 621938803 /nfs/dbraw/zinc/93/88/03/621938803.db2.gz FWMKPVORQMKNMQ-UHFFFAOYSA-N 0 0 314.360 3.223 20 10 DGCDRN C[C@H](NC(=O)NCCCSc1nccs1)c1ccc[nH]1 ZINC000760840895 621967929 /nfs/dbraw/zinc/96/79/29/621967929.db2.gz JFDJAEXYDPOXFI-JTQLQIEISA-N 0 0 310.448 3.014 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000865694095 621979110 /nfs/dbraw/zinc/97/91/10/621979110.db2.gz SNTSPPPGRUMIJU-LXPNIQKUSA-N 0 0 314.212 3.212 20 10 DGCDRN O=C1NC(=S)S/C1=C/c1csc(-c2ccc(F)cc2)n1 ZINC000205609121 621979962 /nfs/dbraw/zinc/97/99/62/621979962.db2.gz ZEQSNISPSPXJDT-BJMVGYQFSA-N 0 0 322.411 3.438 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC2CCC(F)(F)CC2)cc1 ZINC000761221675 621995215 /nfs/dbraw/zinc/99/52/15/621995215.db2.gz UZHIEFDSHOYQHU-UHFFFAOYSA-N 0 0 311.376 3.130 20 10 DGCDRN COc1ccc(N(C)Cc2c(O)cccc2OC)cc1OC ZINC000761221348 621995314 /nfs/dbraw/zinc/99/53/14/621995314.db2.gz IZXDGBYCPZZFNX-UHFFFAOYSA-N 0 0 303.358 3.054 20 10 DGCDRN COc1ccc(CN(C)c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000761220654 621995370 /nfs/dbraw/zinc/99/53/70/621995370.db2.gz IJOMIYAGYILNNJ-UHFFFAOYSA-N 0 0 317.385 3.357 20 10 DGCDRN Cc1ccc(C[N@@H+](C)Cc2cccc(Br)c2[O-])nc1 ZINC000789594337 625532208 /nfs/dbraw/zinc/53/22/08/625532208.db2.gz KPKQUHCOHQWEGC-UHFFFAOYSA-N 0 0 321.218 3.490 20 10 DGCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCCC1CC1 ZINC000761365077 622003546 /nfs/dbraw/zinc/00/35/46/622003546.db2.gz VSLJQYUKRWNXNR-UHFFFAOYSA-N 0 0 322.792 3.000 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CC(F)(F)C(F)(F)F ZINC000865904125 622018320 /nfs/dbraw/zinc/01/83/20/622018320.db2.gz JSPUGUTXFCQEOX-UHFFFAOYSA-N 0 0 324.293 3.265 20 10 DGCDRN C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@@H](c2ccccc2)C1=O ZINC000761580439 622019021 /nfs/dbraw/zinc/01/90/21/622019021.db2.gz UEKSSSAIWOXGRX-GUYCJALGSA-N 0 0 323.396 3.107 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CC(c3ccccc3)C2)cc1 ZINC000866037228 622035969 /nfs/dbraw/zinc/03/59/69/622035969.db2.gz RABKUNKRNAIRGP-UHFFFAOYSA-N 0 0 309.413 3.062 20 10 DGCDRN COc1cc(N2Cc3cccc(O)c3C2)c([N+](=O)[O-])cc1C ZINC000866116632 622048182 /nfs/dbraw/zinc/04/81/82/622048182.db2.gz ABWOZGPVLVBCRE-UHFFFAOYSA-N 0 0 300.314 3.138 20 10 DGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCSC1 ZINC000762116554 622054005 /nfs/dbraw/zinc/05/40/05/622054005.db2.gz WWIYPIBHHXRINI-HNNXBMFYSA-N 0 0 304.459 3.046 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@]12C[C@H]1CCCC2 ZINC000866203661 622065584 /nfs/dbraw/zinc/06/55/84/622065584.db2.gz PRIIGGPLSIRGBL-FZKQIMNGSA-N 0 0 300.402 3.058 20 10 DGCDRN CCn1cnc2c1nc(Cl)nc2N[C@@H](C)c1ccccc1O ZINC000866239170 622073427 /nfs/dbraw/zinc/07/34/27/622073427.db2.gz SMBAEWBHXRCBAG-VIFPVBQESA-N 0 0 317.780 3.378 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCOC[C@H]1C ZINC000762707595 622093584 /nfs/dbraw/zinc/09/35/84/622093584.db2.gz TXDKRCVFGHRAQF-RISCZKNCSA-N 0 0 318.442 3.310 20 10 DGCDRN C[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866491478 622126620 /nfs/dbraw/zinc/12/66/20/622126620.db2.gz RWRQYOXYVRRDJA-MZPVMMEZSA-N 0 0 320.389 3.299 20 10 DGCDRN CCOc1ccc(NC(=S)NCc2ccc(F)cn2)cc1 ZINC000763166417 622127215 /nfs/dbraw/zinc/12/72/15/622127215.db2.gz YFYMPERBLQOMQC-UHFFFAOYSA-N 0 0 305.378 3.106 20 10 DGCDRN C[C@H]([NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866513023 622130430 /nfs/dbraw/zinc/13/04/30/622130430.db2.gz RHGPUTCRVCPLKH-PPHDSNJXSA-N 0 0 320.389 3.156 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CCC12CCOCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866528967 622132269 /nfs/dbraw/zinc/13/22/69/622132269.db2.gz LFSQUEDTKFZJOI-QWHCGFSZSA-N 0 0 320.389 3.158 20 10 DGCDRN C/C=C/C[C@@H](NCc1cc(Cl)cc(C)c1O)C(=O)OCC ZINC000763361415 622140728 /nfs/dbraw/zinc/14/07/28/622140728.db2.gz KILOWADIHMOZLM-YVARQFDVSA-N 0 0 311.809 3.342 20 10 DGCDRN COc1cccnc1NCc1cccc(Br)c1O ZINC000763507659 622149111 /nfs/dbraw/zinc/14/91/11/622149111.db2.gz SMXXJDGXNRFXQT-UHFFFAOYSA-N 0 0 309.163 3.170 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N[C@@H]3CCC(F)(F)C3)ccc21 ZINC000763706962 622159116 /nfs/dbraw/zinc/15/91/16/622159116.db2.gz MZAQCJKEPUYBQD-CQSZACIVSA-N 0 0 323.387 3.056 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCC(F)(F)C2)cc1 ZINC000763703993 622159260 /nfs/dbraw/zinc/15/92/60/622159260.db2.gz AHRDYRCWNHBWDS-ZDUSSCGKSA-N 0 0 311.376 3.082 20 10 DGCDRN O=Cc1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)s1 ZINC000866770863 622163037 /nfs/dbraw/zinc/16/30/37/622163037.db2.gz HLHRWNGLIKWDIS-UHFFFAOYSA-N 0 0 315.394 3.075 20 10 DGCDRN CC[C@@H](O)CCNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000763841061 622164924 /nfs/dbraw/zinc/16/49/24/622164924.db2.gz OIZCQTSOTMSREU-MRXNPFEDSA-N 0 0 314.429 3.293 20 10 DGCDRN CCOC1CC2(C[C@@H]2C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000867505463 622169629 /nfs/dbraw/zinc/16/96/29/622169629.db2.gz VJTQPQJJYQGHJT-RNJAEUJHSA-N 0 0 316.445 3.135 20 10 DGCDRN Cc1cc(F)ncc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000867504104 622169639 /nfs/dbraw/zinc/16/96/39/622169639.db2.gz RWWGQYROSCJOGJ-LBPRGKRZSA-N 0 0 301.365 3.086 20 10 DGCDRN COc1ccc(N(C)CC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1F ZINC000121776611 622180910 /nfs/dbraw/zinc/18/09/10/622180910.db2.gz WDCIHFCMFXPGEH-STQMWFEESA-N 0 0 308.397 3.060 20 10 DGCDRN COC(=O)c1ccc(CN(C)c2ccc(OC)c(F)c2)cc1F ZINC000121824564 622184437 /nfs/dbraw/zinc/18/44/37/622184437.db2.gz VFBYCSGDFDSKBN-UHFFFAOYSA-N 0 0 321.323 3.396 20 10 DGCDRN Cc1cc(S(=O)(=O)N[C@@H](C)c2ccccc2O)sc1C ZINC000867835053 622187437 /nfs/dbraw/zinc/18/74/37/622187437.db2.gz ZXHRAUBQIIYRGT-JTQLQIEISA-N 0 0 311.428 3.110 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1CCCc2occc21)c1ccccc1O ZINC000868033826 622207475 /nfs/dbraw/zinc/20/74/75/622207475.db2.gz OEIQGUPJIGODFK-SMDDNHRTSA-N 0 0 300.358 3.423 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1CCCc2occc21)c1ccccc1O ZINC000868033824 622207480 /nfs/dbraw/zinc/20/74/80/622207480.db2.gz OEIQGUPJIGODFK-FZMZJTMJSA-N 0 0 300.358 3.423 20 10 DGCDRN COCc1cccc(CNC(=O)N[C@H](C)c2ccccc2O)c1 ZINC000868094552 622213910 /nfs/dbraw/zinc/21/39/10/622213910.db2.gz LNNNULSMSKYBDC-CYBMUJFWSA-N 0 0 314.385 3.099 20 10 DGCDRN C[C@H](NC(=O)NCCO[C@@H]1CCCC[C@H]1C)c1ccccc1O ZINC000868103157 622214173 /nfs/dbraw/zinc/21/41/73/622214173.db2.gz GDVYCTFSYRNHCN-JKIFEVAISA-N 0 0 320.433 3.348 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ncc2ccccn21 ZINC000868109912 622215167 /nfs/dbraw/zinc/21/51/67/622215167.db2.gz MVHQEFLTGXXHMP-UHFFFAOYSA-N 0 0 323.396 3.482 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H](C)O[C@H]1C ZINC000868110083 622215231 /nfs/dbraw/zinc/21/52/31/622215231.db2.gz SBFMZYCKHMUFOT-IJEWVQPXSA-N 0 0 305.418 3.334 20 10 DGCDRN C[C@H](CNC(=O)N[C@H](C)c1ccccc1O)Oc1ccccc1 ZINC000868253061 622228593 /nfs/dbraw/zinc/22/85/93/622228593.db2.gz LUMDVFCTQYHQPN-ZIAGYGMSSA-N 0 0 314.385 3.220 20 10 DGCDRN C[C@@H](CNC(=O)N[C@@H](C)c1ccccc1O)Oc1ccccc1 ZINC000868253054 622228668 /nfs/dbraw/zinc/22/86/68/622228668.db2.gz LUMDVFCTQYHQPN-KBPBESRZSA-N 0 0 314.385 3.220 20 10 DGCDRN O=[N+]([O-])c1ccc(NCc2cccc(Br)c2O)cn1 ZINC000764934253 622234106 /nfs/dbraw/zinc/23/41/06/622234106.db2.gz KOCGXJWPOREVDJ-UHFFFAOYSA-N 0 0 324.134 3.070 20 10 DGCDRN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)N[C@H](C)c1ccccc1O ZINC000868343114 622236707 /nfs/dbraw/zinc/23/67/07/622236707.db2.gz MGXSZSTYAIBCRV-KEYYUXOJSA-N 0 0 320.433 3.204 20 10 DGCDRN C[C@H](NC(=O)NCC(C)(C)[C@H]1CCCCO1)c1ccccc1O ZINC000868397989 622240268 /nfs/dbraw/zinc/24/02/68/622240268.db2.gz HHIQKHQUXYGRKR-XJKSGUPXSA-N 0 0 320.433 3.348 20 10 DGCDRN C[C@H](NC(=O)NCc1nc(C2CC2)cs1)c1ccccc1O ZINC000868412930 622241728 /nfs/dbraw/zinc/24/17/28/622241728.db2.gz MCULUWYOOZWMOB-JTQLQIEISA-N 0 0 317.414 3.287 20 10 DGCDRN Cc1csc([C@@H](C)CNC(=O)N[C@H](C)c2ccccc2O)n1 ZINC000868496095 622250023 /nfs/dbraw/zinc/25/00/23/622250023.db2.gz CUWWOBWAMPZLAP-CMPLNLGQSA-N 0 0 319.430 3.321 20 10 DGCDRN CSC1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000868515797 622253344 /nfs/dbraw/zinc/25/33/44/622253344.db2.gz SQGMNXYSMCDYNY-ZDUSSCGKSA-N 0 0 321.490 3.351 20 10 DGCDRN COCC(C)(C)CCCNC(=O)N[C@H](C)c1ccccc1O ZINC000868611885 622263999 /nfs/dbraw/zinc/26/39/99/622263999.db2.gz NDPVPSLYCWEMEF-CYBMUJFWSA-N 0 0 308.422 3.205 20 10 DGCDRN C[C@H](NC(=O)NC[C@@]1(C)CC1(Cl)Cl)c1ccccc1O ZINC000868669534 622270750 /nfs/dbraw/zinc/27/07/50/622270750.db2.gz YYRBSDZKAIHXLO-TVQRCGJNSA-N 0 0 317.216 3.336 20 10 DGCDRN C[C@@H](NC(=O)NCC[C@]1(C)C[C@@]1(F)Cl)c1ccccc1O ZINC000868742846 622279556 /nfs/dbraw/zinc/27/95/56/622279556.db2.gz DSSMXMDXTMCUMU-KMUNFCNLSA-N 0 0 314.788 3.457 20 10 DGCDRN CC[C@H]1C[C@H](CN2CCOc3cc(N(C)C)ccc32)CCO1 ZINC000765653602 622279702 /nfs/dbraw/zinc/27/97/02/622279702.db2.gz APBRVXDBFKUUGY-ZBFHGGJFSA-N 0 0 304.434 3.157 20 10 DGCDRN COCc1ccc(CN2CCOc3cc(N(C)C)ccc32)cc1 ZINC000765656008 622279778 /nfs/dbraw/zinc/27/97/78/622279778.db2.gz FIBDSFNPSATWGZ-UHFFFAOYSA-N 0 0 312.413 3.298 20 10 DGCDRN COCc1csc(CNC(=O)N[C@H](C)c2ccccc2O)c1 ZINC000868773236 622283681 /nfs/dbraw/zinc/28/36/81/622283681.db2.gz JKDBKMFAXOVBRR-LLVKDONJSA-N 0 0 320.414 3.161 20 10 DGCDRN O=C(C=C1CCCC1)NCc1cccc(Br)c1O ZINC000765730404 622284624 /nfs/dbraw/zinc/28/46/24/622284624.db2.gz ATDSETAHECIZEV-UHFFFAOYSA-N 0 0 310.191 3.271 20 10 DGCDRN CCOCCCCCC(=O)NCc1ccc2cccnc2c1O ZINC000868938468 622301686 /nfs/dbraw/zinc/30/16/86/622301686.db2.gz UAIFDIQTNVRLAI-UHFFFAOYSA-N 0 0 316.401 3.154 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCC[C@@H]2CCCS2)c1 ZINC000868977316 622305719 /nfs/dbraw/zinc/30/57/19/622305719.db2.gz ORPBVRSUZWNUHV-YPMHNXCESA-N 0 0 324.446 3.047 20 10 DGCDRN COc1ccc2c(c1)CCCN2CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000766341054 622323144 /nfs/dbraw/zinc/32/31/44/622323144.db2.gz JYRCOOCTGCRGHN-SJLPKXTDSA-N 0 0 314.429 3.196 20 10 DGCDRN CC1(C)CN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@@H]1c1ccco1 ZINC000869788461 622402583 /nfs/dbraw/zinc/40/25/83/622402583.db2.gz QRUMZISYJOSLMX-BQLWYNFJSA-N 0 0 313.353 3.314 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cc(C)ncc1C ZINC000767939837 622429230 /nfs/dbraw/zinc/42/92/30/622429230.db2.gz UXQJNQHFUOOUJX-UHFFFAOYSA-N 0 0 313.401 3.270 20 10 DGCDRN CCN(CC)c1ccc(CN(C)Cc2ccnn2CC)cc1 ZINC000768208125 622445392 /nfs/dbraw/zinc/44/53/92/622445392.db2.gz NQUOMYRUWCPCDJ-UHFFFAOYSA-N 0 0 300.450 3.381 20 10 DGCDRN Cc1oc2ccccc2c1CC(=O)NCc1ccc(O)c(O)c1 ZINC000768293536 622448888 /nfs/dbraw/zinc/44/88/88/622448888.db2.gz MULCTIKWAVUBQM-UHFFFAOYSA-N 0 0 311.337 3.011 20 10 DGCDRN CN(CC(=O)N(C)C1CCCCC1)Cc1c(O)cccc1Cl ZINC000768303892 622449375 /nfs/dbraw/zinc/44/93/75/622449375.db2.gz UDVLCNBKOXRYNC-UHFFFAOYSA-N 0 0 324.852 3.269 20 10 DGCDRN CCC(CC)C(=O)N1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000768337127 622450504 /nfs/dbraw/zinc/45/05/04/622450504.db2.gz ATCBMEHTFDZGEH-UHFFFAOYSA-N 0 0 324.852 3.126 20 10 DGCDRN Oc1cc2c(cc1CN1CCOC[C@@H]1C(F)(F)F)CCCC2 ZINC000768446231 622456798 /nfs/dbraw/zinc/45/67/98/622456798.db2.gz LNDUTMRFIOYZBT-OAHLLOKOSA-N 0 0 315.335 3.034 20 10 DGCDRN C[C@](O)(C1CC[NH+](Cc2cccc(F)c2[O-])CC1)C(F)(F)F ZINC000768531666 622462525 /nfs/dbraw/zinc/46/25/25/622462525.db2.gz HRWKTKKIJSGNQT-AWEZNQCLSA-N 0 0 321.314 3.057 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Cc2ccccc2Cl)cc1 ZINC000018214911 622474225 /nfs/dbraw/zinc/47/42/25/622474225.db2.gz IZSNGQAZURGRCT-UHFFFAOYSA-N 0 0 302.805 3.265 20 10 DGCDRN CCOC(=O)CN(Cc1ccc(N2CCCCC2)cc1)C(C)C ZINC000768927657 622485792 /nfs/dbraw/zinc/48/57/92/622485792.db2.gz UNSPSADIWVCZKL-UHFFFAOYSA-N 0 0 318.461 3.450 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CC3CCC2CC3)c1 ZINC000769189160 622506573 /nfs/dbraw/zinc/50/65/73/622506573.db2.gz SZZCQVSLBBOIRF-NEQJSVFRSA-N 0 0 318.417 3.340 20 10 DGCDRN CCOc1ccc(N(C)Cc2cc(-c3cnn(C)c3)no2)cc1 ZINC000769215028 622508495 /nfs/dbraw/zinc/50/84/95/622508495.db2.gz YKQZHXGOWOBROM-UHFFFAOYSA-N 0 0 312.373 3.110 20 10 DGCDRN CCSc1ccccc1C(=O)N1CCS[C@H]2COCC[C@@H]21 ZINC000769343925 622519778 /nfs/dbraw/zinc/51/97/78/622519778.db2.gz MBVHIGSHVFPAED-ZFWWWQNUSA-N 0 0 323.483 3.145 20 10 DGCDRN O=C(CCOc1ccccc1Cl)NCc1ccccc1O ZINC000769363537 622520507 /nfs/dbraw/zinc/52/05/07/622520507.db2.gz SWRYKGXOOQTPAQ-UHFFFAOYSA-N 0 0 305.761 3.131 20 10 DGCDRN CCN(CC)c1ccc(CN2CCOC[C@@H]2C2CC2)cc1F ZINC000769483689 622532848 /nfs/dbraw/zinc/53/28/48/622532848.db2.gz AKPOJRHDKHTCAX-GOSISDBHSA-N 0 0 306.425 3.283 20 10 DGCDRN COc1cccc(O)c1CN1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000769514403 622536832 /nfs/dbraw/zinc/53/68/32/622536832.db2.gz LYDOOKOLZRLEST-PXAZEXFGSA-N 0 0 319.426 3.424 20 10 DGCDRN Cn1cc(-c2ccnc(/C=C\c3ccc4c(c3)CCN4C)n2)cn1 ZINC000769614082 622544657 /nfs/dbraw/zinc/54/46/57/622544657.db2.gz GYDKLYRZMBZXDU-XQRVVYSFSA-N 0 0 317.396 3.040 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000769656415 622547604 /nfs/dbraw/zinc/54/76/04/622547604.db2.gz GDZFTDATBWGQPT-SECBINFHSA-N 0 0 309.337 3.362 20 10 DGCDRN Cc1cccc(NC(=O)NCc2c(O)ccc3c2CCCC3)n1 ZINC000123499383 622552702 /nfs/dbraw/zinc/55/27/02/622552702.db2.gz GINAMDQPOIJUGO-UHFFFAOYSA-N 0 0 311.385 3.296 20 10 DGCDRN CCSc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 ZINC000769741352 622556360 /nfs/dbraw/zinc/55/63/60/622556360.db2.gz SQWDYYUOOJPYIE-VBKFSLOCSA-N 0 0 324.405 3.260 20 10 DGCDRN Cc1ccc(OCCCC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871198049 622565978 /nfs/dbraw/zinc/56/59/78/622565978.db2.gz GBRIJTVXYFPNII-UHFFFAOYSA-N 0 0 311.381 3.402 20 10 DGCDRN CC[C@H](C(=O)N1Cc2cccc(O)c2C1)c1c(C)noc1C ZINC000871201418 622566385 /nfs/dbraw/zinc/56/63/85/622566385.db2.gz VRICAQSGDGNJEY-ZDUSSCGKSA-N 0 0 300.358 3.033 20 10 DGCDRN O=C(CCCOCc1ccccc1)N1Cc2cccc(O)c2C1 ZINC000871201167 622566644 /nfs/dbraw/zinc/56/66/44/622566644.db2.gz RAAYDKGAEMDXPA-UHFFFAOYSA-N 0 0 311.381 3.231 20 10 DGCDRN COC(=O)c1cccc(NCc2ccc(N3CCCC3)cc2)n1 ZINC000769842362 622566702 /nfs/dbraw/zinc/56/67/02/622566702.db2.gz MXJBSWDVOTVKAV-UHFFFAOYSA-N 0 0 311.385 3.081 20 10 DGCDRN COc1ccc2c(c1)[C@@H](C(=O)N1Cc3cccc(O)c3C1)CCC2 ZINC000871204037 622567029 /nfs/dbraw/zinc/56/70/29/622567029.db2.gz AURLJXKJKOENKA-INIZCTEOSA-N 0 0 323.392 3.363 20 10 DGCDRN C[C@]1(C(=O)N2Cc3cccc(O)c3C2)CCc2ccccc2C1 ZINC000871202713 622567159 /nfs/dbraw/zinc/56/71/59/622567159.db2.gz MBRWPGPCOGPHBT-FQEVSTJZSA-N 0 0 307.393 3.430 20 10 DGCDRN O=C(c1ccc([C@H]2CCCOC2)cc1)N1Cc2cccc(O)c2C1 ZINC000871205246 622568208 /nfs/dbraw/zinc/56/82/08/622568208.db2.gz XFXXBOCULDIUCU-KRWDZBQOSA-N 0 0 323.392 3.442 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)c2nccs2)C2CC2)cc1 ZINC000770190761 622610120 /nfs/dbraw/zinc/61/01/20/622610120.db2.gz XPYLPFQABGPPIP-UHFFFAOYSA-N 0 0 301.415 3.014 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCCCc1cccs1 ZINC000770290844 622618891 /nfs/dbraw/zinc/61/88/91/622618891.db2.gz JYXVBKDTKRZMQH-UHFFFAOYSA-N 0 0 304.415 3.228 20 10 DGCDRN O=C(Nc1ccnc(N2CCCCC2)c1)C1=CC(=O)CS1 ZINC000888574402 622620998 /nfs/dbraw/zinc/62/09/98/622620998.db2.gz AFNKXSHVUNHFEV-UHFFFAOYSA-N 0 0 303.387 3.091 20 10 DGCDRN Cc1cc(C(=O)Nc2cn[nH]n2)c(C)n1-c1cccc(Cl)c1 ZINC000789932081 625581882 /nfs/dbraw/zinc/58/18/82/625581882.db2.gz PICPRLNQGMRUAH-UHFFFAOYSA-N 0 0 315.764 3.118 20 10 DGCDRN Cc1ccc(C(=O)NCC2(c3ccccc3C)CC2)c(O)c1O ZINC000770484227 622638002 /nfs/dbraw/zinc/63/80/02/622638002.db2.gz BKOWHMOTFIPIPE-UHFFFAOYSA-N 0 0 311.381 3.176 20 10 DGCDRN Cc1ccc(C(=O)NC[C@H](C)Sc2ccccc2)c(O)c1O ZINC000770499918 622639622 /nfs/dbraw/zinc/63/96/22/622639622.db2.gz PUZFOFSEUPUIBS-LBPRGKRZSA-N 0 0 317.410 3.317 20 10 DGCDRN CC(=O)NCc1ccc(NCc2c(O)cccc2Cl)cc1 ZINC000770567279 622646391 /nfs/dbraw/zinc/64/63/91/622646391.db2.gz ZIRYMMXRKVUOTA-UHFFFAOYSA-N 0 0 304.777 3.294 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCCC[C@H]2O)cc1 ZINC000770632191 622654929 /nfs/dbraw/zinc/65/49/29/622654929.db2.gz YRKHFVHFNSPTIK-QZTJIDSGSA-N 0 0 312.413 3.127 20 10 DGCDRN CCC1(CC)[C@H](NC(=O)NCc2ccccc2O)[C@H](C)[C@@H]1OC ZINC000770827624 622672932 /nfs/dbraw/zinc/67/29/32/622672932.db2.gz FXSKQVXMPZOGDS-MAZHCROVSA-N 0 0 320.433 3.031 20 10 DGCDRN CCC1(CC)[C@H](NC(=O)NCc2ccccc2O)[C@@H](C)[C@@H]1OC ZINC000770827630 622673053 /nfs/dbraw/zinc/67/30/53/622673053.db2.gz FXSKQVXMPZOGDS-WQVCFCJDSA-N 0 0 320.433 3.031 20 10 DGCDRN CC[C@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[C@@H](C)O ZINC000789949206 625586040 /nfs/dbraw/zinc/58/60/40/625586040.db2.gz FWZUGWDFGNEFGY-QAPCUYQASA-N 0 0 318.461 3.042 20 10 DGCDRN C[C@H]1C[C@H](C)N1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000888586120 622685862 /nfs/dbraw/zinc/68/58/62/622685862.db2.gz WGJXZLDCTJJBIB-STQMWFEESA-N 0 0 321.384 3.411 20 10 DGCDRN CCOc1cccc([C@@H](C)NC(=O)c2c(F)ccc(O)c2O)c1 ZINC000789964281 625589167 /nfs/dbraw/zinc/58/91/67/625589167.db2.gz VCRRGCXTURPJHL-SNVBAGLBSA-N 0 0 319.332 3.127 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](CO)CC1CC1 ZINC000770999803 622701147 /nfs/dbraw/zinc/70/11/47/622701147.db2.gz INVCJVMWQHFVFQ-AWEZNQCLSA-N 0 0 318.442 3.046 20 10 DGCDRN CCCOC(=O)[C@@H](C)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000771790440 622796538 /nfs/dbraw/zinc/79/65/38/622796538.db2.gz CFVNAIBOSCOCLB-OAHLLOKOSA-N 0 0 306.450 3.305 20 10 DGCDRN C[C@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000872110090 622812785 /nfs/dbraw/zinc/81/27/85/622812785.db2.gz CMHIUNHRNGDTND-ZETCQYMHSA-N 0 0 317.229 3.354 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCCCO2)cc1 ZINC000772029366 622836895 /nfs/dbraw/zinc/83/68/95/622836895.db2.gz KVANPRVKGZYSNZ-KRWDZBQOSA-N 0 0 304.434 3.060 20 10 DGCDRN Cc1cncc(/C=C\C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000772144389 622855630 /nfs/dbraw/zinc/85/56/30/622855630.db2.gz KIQJMQLRCYTIME-YVMONPNESA-N 0 0 309.413 3.094 20 10 DGCDRN CCOCCC1(C(=O)NCc2ccc(N(C)C)cc2)CCCC1 ZINC000124028304 622881823 /nfs/dbraw/zinc/88/18/23/622881823.db2.gz WHENVFBMQQALLM-UHFFFAOYSA-N 0 0 318.461 3.356 20 10 DGCDRN C[C@@H](CC(C)(C)C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000772348107 622887296 /nfs/dbraw/zinc/88/72/96/622887296.db2.gz BIWGQQUPMJRWJV-HNNXBMFYSA-N 0 0 318.461 3.212 20 10 DGCDRN CC[C@H](CO)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000124118342 622921338 /nfs/dbraw/zinc/92/13/38/622921338.db2.gz JKNLWQZODATVFZ-CQSZACIVSA-N 0 0 320.820 3.248 20 10 DGCDRN C[C@H](NC(=O)c1c(O)cccc1F)c1ccc(N(C)C)cc1 ZINC000772997673 622962945 /nfs/dbraw/zinc/96/29/45/622962945.db2.gz VFZOZLVOYMWGSL-NSHDSACASA-N 0 0 302.349 3.088 20 10 DGCDRN CC(C)c1ocnc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000772996338 622963255 /nfs/dbraw/zinc/96/32/55/622963255.db2.gz DBJIVTCTALVRQL-LBPRGKRZSA-N 0 0 301.390 3.355 20 10 DGCDRN C[C@@H](NC(=O)C[C@@H]1CSCCS1)c1ccc(N(C)C)cc1 ZINC000773001600 622964344 /nfs/dbraw/zinc/96/43/44/622964344.db2.gz VOCSCLOIEOMCQD-IUODEOHRSA-N 0 0 324.515 3.169 20 10 DGCDRN COc1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000773012178 622967010 /nfs/dbraw/zinc/96/70/10/622967010.db2.gz SOSMJMIPUXYGCS-GFCCVEGCSA-N 0 0 316.376 3.391 20 10 DGCDRN COc1cccc(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773013557 622967412 /nfs/dbraw/zinc/96/74/12/622967412.db2.gz GWZDSPCHPPLDMY-AWEZNQCLSA-N 0 0 312.413 3.181 20 10 DGCDRN C[C@@H](NC(=O)c1cc(-c2ccco2)n[nH]1)c1ccc(N(C)C)cc1 ZINC000773017580 622967894 /nfs/dbraw/zinc/96/78/94/622967894.db2.gz HHGMGAIWDMXQOU-GFCCVEGCSA-N 0 0 324.384 3.227 20 10 DGCDRN C[C@H](NC(=O)CCc1cscn1)c1ccc(N(C)C)cc1 ZINC000773023859 622969032 /nfs/dbraw/zinc/96/90/32/622969032.db2.gz KSYYPOGVLPNTNT-LBPRGKRZSA-N 0 0 303.431 3.019 20 10 DGCDRN Cc1noc(C(F)F)c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773018749 622969335 /nfs/dbraw/zinc/96/93/35/622969335.db2.gz ZXYHPRUUVSXMCG-SECBINFHSA-N 0 0 323.343 3.478 20 10 DGCDRN C[C@H](NC(=O)CC[C@@H]1CCCCO1)c1ccc(N(C)C)cc1 ZINC000773028406 622969991 /nfs/dbraw/zinc/96/99/91/622969991.db2.gz ZJEBGSAXKVDEAT-YOEHRIQHSA-N 0 0 304.434 3.279 20 10 DGCDRN Cc1ccsc1S(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773086536 622981211 /nfs/dbraw/zinc/98/12/11/622981211.db2.gz CMXHITAOAZABPR-LBPRGKRZSA-N 0 0 324.471 3.162 20 10 DGCDRN CCC(CC)CS(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773088245 622981734 /nfs/dbraw/zinc/98/17/34/622981734.db2.gz NRVUPHAXQFPJCW-ZDUSSCGKSA-N 0 0 312.479 3.169 20 10 DGCDRN C[C@H](NC(=O)NCc1cccs1)c1ccc(N(C)C)cc1 ZINC000773113007 622985955 /nfs/dbraw/zinc/98/59/55/622985955.db2.gz NQCCNYNYGBAHMP-LBPRGKRZSA-N 0 0 303.431 3.375 20 10 DGCDRN Cc1cccc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000773219119 623001050 /nfs/dbraw/zinc/00/10/50/623001050.db2.gz KVHKPNIYWQLSOB-CQSZACIVSA-N 0 0 312.417 3.016 20 10 DGCDRN CC(C)CCOCCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773242167 623003960 /nfs/dbraw/zinc/00/39/60/623003960.db2.gz BCKHDAZUQCHZGV-OAHLLOKOSA-N 0 0 321.465 3.176 20 10 DGCDRN Cc1ncc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000773268668 623006953 /nfs/dbraw/zinc/00/69/53/623006953.db2.gz JDQXGYMOROCFKZ-LLVKDONJSA-N 0 0 318.446 3.078 20 10 DGCDRN Cc1ncc(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000773268670 623007208 /nfs/dbraw/zinc/00/72/08/623007208.db2.gz JDQXGYMOROCFKZ-NSHDSACASA-N 0 0 318.446 3.078 20 10 DGCDRN CSCC[C@@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773309588 623010529 /nfs/dbraw/zinc/01/05/29/623010529.db2.gz YDDOSPNNXNHFBU-CHWSQXEVSA-N 0 0 309.479 3.254 20 10 DGCDRN COC(C)(C)C[C@@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773327263 623012587 /nfs/dbraw/zinc/01/25/87/623012587.db2.gz WULWCHVFOSQRSH-KGLIPLIRSA-N 0 0 321.465 3.316 20 10 DGCDRN Cc1cc(C(=O)NCCC(C)(C)O)c(C)n1-c1ccccc1C ZINC000773399352 623022609 /nfs/dbraw/zinc/02/26/09/623022609.db2.gz WPORTROWEKEAHJ-UHFFFAOYSA-N 0 0 314.429 3.293 20 10 DGCDRN C[C@H](CC(F)(F)F)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773447408 623028016 /nfs/dbraw/zinc/02/80/16/623028016.db2.gz IVGPOZAINUGEFC-MNOVXSKESA-N 0 0 317.355 3.454 20 10 DGCDRN CCN(C)c1ccc(CN(C)Cc2nccn2C(F)F)cc1 ZINC000773732824 623064697 /nfs/dbraw/zinc/06/46/97/623064697.db2.gz SXJHKQSJSKWASA-UHFFFAOYSA-N 0 0 308.376 3.366 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1CCCC[C@H]1C ZINC000773744867 623066748 /nfs/dbraw/zinc/06/67/48/623066748.db2.gz FLUGWYMZKOMURS-UMVBOHGHSA-N 0 0 305.418 3.361 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(C)s1 ZINC000773748528 623067090 /nfs/dbraw/zinc/06/70/90/623067090.db2.gz LMZCYOMMGPVULB-VIFPVBQESA-N 0 0 305.399 3.137 20 10 DGCDRN Nc1ccc2c(c1)OCCN(Cc1c(O)cccc1Cl)C2 ZINC000873220882 623078921 /nfs/dbraw/zinc/07/89/21/623078921.db2.gz ZQMVFEJYGLZMSR-UHFFFAOYSA-N 0 0 304.777 3.022 20 10 DGCDRN CCN(C)c1ccc(CN2CC[S@@](=O)C(CC)(CC)C2)cc1 ZINC000773858506 623080324 /nfs/dbraw/zinc/08/03/24/623080324.db2.gz MMIPODFJAHEIBC-JOCHJYFZSA-N 0 0 322.518 3.266 20 10 DGCDRN CN1CCCc2cc(CNC(=O)C(C)(C)c3ccccn3)ccc21 ZINC000773876726 623083563 /nfs/dbraw/zinc/08/35/63/623083563.db2.gz BOJBTAWTIIXDOH-UHFFFAOYSA-N 0 0 323.440 3.058 20 10 DGCDRN Nc1ccc(NC(=O)N2CC[C@@]3(CCc4ccccc43)C2)cc1 ZINC000873328668 623113100 /nfs/dbraw/zinc/11/31/00/623113100.db2.gz SHMPBWOWECBKPD-IBGZPJMESA-N 0 0 307.397 3.391 20 10 DGCDRN CO[C@@]1(C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])CCOC1 ZINC000774359426 623136470 /nfs/dbraw/zinc/13/64/70/623136470.db2.gz PLQGXMBIXLBHHL-LKFCYVNXSA-N 0 0 320.216 3.155 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000774363858 623136824 /nfs/dbraw/zinc/13/68/24/623136824.db2.gz YBUWDUWPNYWEIY-UHFFFAOYSA-N 0 0 320.801 3.432 20 10 DGCDRN COCc1ccc(N[C@@H](C)c2cc(C(=O)OC)ccc2O)cc1 ZINC000774483622 623151002 /nfs/dbraw/zinc/15/10/02/623151002.db2.gz GVBCMVPWKPVXQC-LBPRGKRZSA-N 0 0 315.369 3.498 20 10 DGCDRN CC[C@H](CSC)NC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000774681637 623175535 /nfs/dbraw/zinc/17/55/35/623175535.db2.gz AIAYLMLQZFWZPQ-OAHLLOKOSA-N 0 0 323.506 3.474 20 10 DGCDRN CCC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000774904086 623206571 /nfs/dbraw/zinc/20/65/71/623206571.db2.gz NUMVVQKWSAZSCW-LBPRGKRZSA-N 0 0 308.378 3.321 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2C[C@@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774905799 623206975 /nfs/dbraw/zinc/20/69/75/623206975.db2.gz RVWQDDWSTQEEHM-RYUDHWBXSA-N 0 0 308.378 3.320 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CCC3(C2)CCCCC3)ccc1[N+](=O)[O-] ZINC000774908561 623207748 /nfs/dbraw/zinc/20/77/48/623207748.db2.gz MAMRXASTVKLIDQ-UHFFFAOYSA-N 0 0 320.389 3.465 20 10 DGCDRN CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774963998 623211755 /nfs/dbraw/zinc/21/17/55/623211755.db2.gz MOWITFDTXHGWTB-DGCLKSJQSA-N 0 0 308.378 3.367 20 10 DGCDRN COc1c([O-])c(C[NH2+]C/C=C\c2ccccc2)ccc1[N+](=O)[O-] ZINC000775016791 623217034 /nfs/dbraw/zinc/21/70/34/623217034.db2.gz WRPZUUUOPDKJOG-YVMONPNESA-N 0 0 314.341 3.112 20 10 DGCDRN COc1c([O-])c(C[NH2+]CC2(C)CCCCC2)ccc1[N+](=O)[O-] ZINC000775038573 623219036 /nfs/dbraw/zinc/21/90/36/623219036.db2.gz WKBHPXWXYCYYEA-UHFFFAOYSA-N 0 0 308.378 3.369 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000775056113 623221945 /nfs/dbraw/zinc/22/19/45/623221945.db2.gz VTWMANYEGBFTAV-UBHSHLNASA-N 0 0 320.389 3.320 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000775059031 623223581 /nfs/dbraw/zinc/22/35/81/623223581.db2.gz HIUFGHFKWORFNK-GMXVVIOVSA-N 0 0 308.378 3.223 20 10 DGCDRN C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000873961979 623224497 /nfs/dbraw/zinc/22/44/97/623224497.db2.gz JJJRIKHTPWRXPC-BXUZGUMPSA-N 0 0 302.378 3.500 20 10 DGCDRN C[C@H]1CCC[C@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000873976317 623225870 /nfs/dbraw/zinc/22/58/70/623225870.db2.gz HLLNEANNTDPYIN-FZMZJTMJSA-N 0 0 302.378 3.500 20 10 DGCDRN CCn1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1C ZINC000874002228 623228831 /nfs/dbraw/zinc/22/88/31/623228831.db2.gz WOOFRKOIRNXXDF-UHFFFAOYSA-N 0 0 311.429 3.347 20 10 DGCDRN Cc1cc(NCc2cccc(F)c2O)ccc1C(=O)N(C)C ZINC000775118058 623233391 /nfs/dbraw/zinc/23/33/91/623233391.db2.gz JCBMVJCQLOCMIG-UHFFFAOYSA-N 0 0 302.349 3.154 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCc2cc(O)ccc2C1 ZINC000775173453 623237435 /nfs/dbraw/zinc/23/74/35/623237435.db2.gz RSTFQGWDEGLSRS-CQSZACIVSA-N 0 0 303.789 3.398 20 10 DGCDRN C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000124834340 623240182 /nfs/dbraw/zinc/24/01/82/623240182.db2.gz DXZLOSPUMDRPRB-CRAIPNDOSA-N 0 0 313.445 3.441 20 10 DGCDRN C[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000124834066 623240462 /nfs/dbraw/zinc/24/04/62/623240462.db2.gz DXZLOSPUMDRPRB-YJBOKZPZSA-N 0 0 313.445 3.441 20 10 DGCDRN C[C@@H]1CCC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000874161324 623246085 /nfs/dbraw/zinc/24/60/85/623246085.db2.gz RJFXWIZGYISLID-VXGBXAGGSA-N 0 0 302.378 3.405 20 10 DGCDRN C[C@@H](NC(=O)C(=O)Nc1ccc(C2CC2)cc1)c1ccccc1O ZINC000874191364 623248604 /nfs/dbraw/zinc/24/86/04/623248604.db2.gz GSDJVYXBZLKAKT-GFCCVEGCSA-N 0 0 324.380 3.086 20 10 DGCDRN CCN(CCC(F)(F)F)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874256124 623253501 /nfs/dbraw/zinc/25/35/01/623253501.db2.gz CDYLAWQNGRTMCX-UHFFFAOYSA-N 0 0 316.283 3.264 20 10 DGCDRN Cc1cc(C(=O)NCc2cncc(C)c2)c(C)n1-c1ccccn1 ZINC000124987882 623265626 /nfs/dbraw/zinc/26/56/26/623265626.db2.gz HPXGXAKACHOURX-UHFFFAOYSA-N 0 0 320.396 3.123 20 10 DGCDRN CC(=O)CCC(C)(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775407861 623270429 /nfs/dbraw/zinc/27/04/29/623270429.db2.gz XBWOLCPTQNTEPF-CQSZACIVSA-N 0 0 304.434 3.325 20 10 DGCDRN C[C@@H](NC(=O)c1cccc2[nH]cnc21)c1ccc(N(C)C)cc1 ZINC000775410112 623271228 /nfs/dbraw/zinc/27/12/28/623271228.db2.gz JTUDRCRFAWCJMX-GFCCVEGCSA-N 0 0 308.385 3.120 20 10 DGCDRN C[C@H](NC(=O)c1ccnc(Cl)c1F)c1ccc(N(C)C)cc1 ZINC000775412523 623271644 /nfs/dbraw/zinc/27/16/44/623271644.db2.gz YLQIXHFHLHLBHJ-JTQLQIEISA-N 0 0 321.783 3.431 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)N1C[C@@H](C)Oc2c(F)cccc21 ZINC000775414862 623272860 /nfs/dbraw/zinc/27/28/60/623272860.db2.gz MJOWPTMNMIOFFE-KTRBRXNASA-N 0 0 312.344 3.356 20 10 DGCDRN C[C@@H]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](C)C1 ZINC000874472052 623276072 /nfs/dbraw/zinc/27/60/72/623276072.db2.gz UVMDUJQQLPFXRG-UHIISALHSA-N 0 0 302.378 3.404 20 10 DGCDRN CN(C)c1ccc(CNc2ccncc2Br)cc1F ZINC000775457721 623277041 /nfs/dbraw/zinc/27/70/41/623277041.db2.gz FVBMXUBPKVJEAG-UHFFFAOYSA-N 0 0 324.197 3.083 20 10 DGCDRN CC[C@@H]([NH2+]CCCC(=O)NC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775496293 623280947 /nfs/dbraw/zinc/28/09/47/623280947.db2.gz FSFNWAZBWCDSPJ-LLVKDONJSA-N 0 0 319.232 3.266 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H](COC)OC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775546689 623287917 /nfs/dbraw/zinc/28/79/17/623287917.db2.gz KUKFSDHPPNSIOX-JOYOIKCWSA-N 0 0 322.232 3.401 20 10 DGCDRN COCC[N@H+](Cc1ccco1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775656589 623306284 /nfs/dbraw/zinc/30/62/84/623306284.db2.gz KTBIRNWROYRYIJ-UHFFFAOYSA-N 0 0 313.756 3.426 20 10 DGCDRN Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)OC(C)(C)C)c1O ZINC000775727067 623320063 /nfs/dbraw/zinc/32/00/63/623320063.db2.gz HCKLOQSKKCCYGQ-OAHLLOKOSA-N 0 0 305.418 3.397 20 10 DGCDRN Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775732230 623321126 /nfs/dbraw/zinc/32/11/26/623321126.db2.gz MKDYLLBLHRJVML-CQSZACIVSA-N 0 0 323.799 3.428 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000775740319 623321703 /nfs/dbraw/zinc/32/17/03/623321703.db2.gz UOZUCRCNKUMEIE-VXGBXAGGSA-N 0 0 313.800 3.433 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@H]1n1ccnc1 ZINC000775738245 623322167 /nfs/dbraw/zinc/32/21/67/623322167.db2.gz XFUNCAWPVZPHIU-IAQYHMDHSA-N 0 0 323.799 3.464 20 10 DGCDRN COc1ncc(/C=C/C(=O)N(C)c2cccc3ccccc32)cn1 ZINC000775812287 623335885 /nfs/dbraw/zinc/33/58/85/623335885.db2.gz FORUPPNHKTVJSE-ZHACJKMWSA-N 0 0 319.364 3.315 20 10 DGCDRN COc1ncc(/C=C\C(=O)N(C)c2cccc(C(C)C)c2)cn1 ZINC000775819286 623336543 /nfs/dbraw/zinc/33/65/43/623336543.db2.gz GXQDOKUSNCTMBQ-HJWRWDBZSA-N 0 0 311.385 3.285 20 10 DGCDRN COc1cccc(CN2C[C@H](C)Oc3c(F)cccc32)c1O ZINC000776008081 623363520 /nfs/dbraw/zinc/36/35/20/623363520.db2.gz RCYHGGFTINDHOA-NSHDSACASA-N 0 0 303.333 3.327 20 10 DGCDRN COC(=O)[C@@H]1C[C@H](C)CCN1Cc1cc(Cl)cc(C)c1O ZINC000776004235 623363865 /nfs/dbraw/zinc/36/38/65/623363865.db2.gz ZUBSJACONAMFAD-YGRLFVJLSA-N 0 0 311.809 3.128 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Nc2ccnn2CC)cc1 ZINC000776019034 623364902 /nfs/dbraw/zinc/36/49/02/623364902.db2.gz KJPNUBOMQLVLGE-UHFFFAOYSA-N 0 0 315.421 3.071 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC[C@H](C)C1 ZINC000776150519 623382980 /nfs/dbraw/zinc/38/29/80/623382980.db2.gz PLXIMLMKTGJRFF-AWEZNQCLSA-N 0 0 303.450 3.393 20 10 DGCDRN O=C(/C=C/c1ccc(O)cc1)NCCCSc1nccs1 ZINC000125224274 623398116 /nfs/dbraw/zinc/39/81/16/623398116.db2.gz UEILXYBGEJFINZ-QPJJXVBHSA-N 0 0 320.439 3.161 20 10 DGCDRN COC[C@H](Cc1ccccc1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776232430 623400238 /nfs/dbraw/zinc/40/02/38/623400238.db2.gz XNQNYZMUEUNFLA-HNNXBMFYSA-N 0 0 305.805 3.393 20 10 DGCDRN CCN(C[C@H]1CCCO1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776244456 623401012 /nfs/dbraw/zinc/40/10/12/623401012.db2.gz JKNCGHGCYLYRTB-WMLDXEAASA-N 0 0 319.449 3.024 20 10 DGCDRN C[C@@H](NC(=O)N(C)Cc1ccncc1)c1ccc(N(C)C)cc1 ZINC000776248919 623401056 /nfs/dbraw/zinc/40/10/56/623401056.db2.gz LJLNLCBMZLSUKL-CQSZACIVSA-N 0 0 312.417 3.050 20 10 DGCDRN COc1cc(O)c(CNc2cnn(CC(C)C)c2C)cc1OC ZINC000776257472 623402465 /nfs/dbraw/zinc/40/24/65/623402465.db2.gz XMPWANZJAAJCJC-UHFFFAOYSA-N 0 0 319.405 3.182 20 10 DGCDRN CCNc1ncc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000776270101 623404214 /nfs/dbraw/zinc/40/42/14/623404214.db2.gz PWOYXCAUXJILPK-LLVKDONJSA-N 0 0 318.446 3.132 20 10 DGCDRN CCNc1nc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000776269618 623404301 /nfs/dbraw/zinc/40/43/01/623404301.db2.gz LQHILUWVXCVVNU-LLVKDONJSA-N 0 0 318.446 3.132 20 10 DGCDRN Cc1cccc2sc(NC(=O)c3cccc(O)c3O)nc21 ZINC000776322702 623411916 /nfs/dbraw/zinc/41/19/16/623411916.db2.gz DCDPYEGFONAOEJ-UHFFFAOYSA-N 0 0 300.339 3.268 20 10 DGCDRN CC(C)c1ccc(OCCNC(=O)c2cccc(O)c2O)cc1 ZINC000776334994 623413314 /nfs/dbraw/zinc/41/33/14/623413314.db2.gz ADUFJLCSVCQURO-UHFFFAOYSA-N 0 0 315.369 3.030 20 10 DGCDRN C[C@H](COc1ccccc1)NC(=O)N[C@H](C)c1ccccc1O ZINC000875125521 623418666 /nfs/dbraw/zinc/41/86/66/623418666.db2.gz PJRYFJDQAHSUIB-ZIAGYGMSSA-N 0 0 314.385 3.220 20 10 DGCDRN O=C(N[C@@H]1CCc2c1cccc2F)N1Cc2cccc(O)c2C1 ZINC000875146736 623421208 /nfs/dbraw/zinc/42/12/08/623421208.db2.gz ZWNZFCHLZLCTOS-MRXNPFEDSA-N 0 0 312.344 3.244 20 10 DGCDRN O=C(N[C@H]1CCc2cc(F)ccc21)N1Cc2cccc(O)c2C1 ZINC000875145520 623421283 /nfs/dbraw/zinc/42/12/83/623421283.db2.gz NGIOMYVTIWIKFZ-INIZCTEOSA-N 0 0 312.344 3.244 20 10 DGCDRN CC[C@@H](Cc1ccccc1)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875222229 623427785 /nfs/dbraw/zinc/42/77/85/623427785.db2.gz DUHKBHYYWNBNAN-INIZCTEOSA-N 0 0 310.397 3.439 20 10 DGCDRN C[C@@H]1CC[C@@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000776474969 623433994 /nfs/dbraw/zinc/43/39/94/623433994.db2.gz JZALLIBCZKQDHF-INMHGKMJSA-N 0 0 317.429 3.336 20 10 DGCDRN COc1ccc2c(c1)N(Cc1cc(F)ccc1O)C[C@@H](C)O2 ZINC000776523109 623437771 /nfs/dbraw/zinc/43/77/71/623437771.db2.gz HZUVTZILTDNHMP-LLVKDONJSA-N 0 0 303.333 3.327 20 10 DGCDRN C[C@@H](NC(=O)N[C@H]1CCOC2(CCCC2)C1)c1ccccc1O ZINC000875392505 623445337 /nfs/dbraw/zinc/44/53/37/623445337.db2.gz BGIGKOSOWPHCRQ-KGLIPLIRSA-N 0 0 318.417 3.244 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C23CC(C(F)(F)F)(C2)C3)cc1 ZINC000776605365 623445796 /nfs/dbraw/zinc/44/57/96/623445796.db2.gz ZCFSSAWTPMRMPP-UHFFFAOYSA-N 0 0 312.335 3.101 20 10 DGCDRN CC(C)C[C@H]1C[C@H](NC(=O)N2Cc3cccc(O)c3C2)CCO1 ZINC000875462668 623452765 /nfs/dbraw/zinc/45/27/65/623452765.db2.gz XNCIZYLMVZZZCB-CABCVRRESA-N 0 0 318.417 3.011 20 10 DGCDRN C[C@@H](NC(=O)N(C)Cc1ccns1)c1ccc(N(C)C)cc1 ZINC000875508016 623457528 /nfs/dbraw/zinc/45/75/28/623457528.db2.gz QOLRDWPAEQLYGH-GFCCVEGCSA-N 0 0 318.446 3.112 20 10 DGCDRN Cc1ncsc1/C=C\C(=O)N1C[C@@H](C)Oc2ccccc21 ZINC000776839126 623470049 /nfs/dbraw/zinc/47/00/49/623470049.db2.gz OVWVLZOCZJWBDO-SKVAFPRGSA-N 0 0 300.383 3.279 20 10 DGCDRN O=C(N[C@@H]1C[C@H]1c1ccccc1F)N1Cc2cccc(O)c2C1 ZINC000875660525 623476580 /nfs/dbraw/zinc/47/65/80/623476580.db2.gz ALHOMPSNDIJTIV-XJKSGUPXSA-N 0 0 312.344 3.113 20 10 DGCDRN O=C(NC[C@H]1CCC[C@H]1C1CC1)N1Cc2cccc(O)c2C1 ZINC000875666090 623477072 /nfs/dbraw/zinc/47/70/72/623477072.db2.gz VJCKAHDVDLDGQF-HIFRSBDPSA-N 0 0 300.402 3.244 20 10 DGCDRN CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](OC)C(F)(F)F)cc1 ZINC000777007436 623484505 /nfs/dbraw/zinc/48/45/05/623484505.db2.gz MMMQDERJPJWJEO-BXUZGUMPSA-N 0 0 304.356 3.371 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000875868012 623501451 /nfs/dbraw/zinc/50/14/51/623501451.db2.gz CGDBOXRKRPOZBY-LOUJCGABSA-N 0 0 320.433 3.126 20 10 DGCDRN C[C@H](Nc1cccc2c1oc(=O)n2C)c1ccc(N(C)C)cc1 ZINC000777264084 623509586 /nfs/dbraw/zinc/50/95/86/623509586.db2.gz GUYJIGRAHPZFSJ-LBPRGKRZSA-N 0 0 311.385 3.371 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCC[C@@H]1CCSC1 ZINC000875938661 623511176 /nfs/dbraw/zinc/51/11/76/623511176.db2.gz KHAWPUKAXUCDST-CQSZACIVSA-N 0 0 322.474 3.457 20 10 DGCDRN Oc1cccc(Cl)c1CNc1cnn(Cc2ccncc2)c1 ZINC000777463454 623529345 /nfs/dbraw/zinc/52/93/45/623529345.db2.gz GCHHXAZXQDHFSD-UHFFFAOYSA-N 0 0 314.776 3.298 20 10 DGCDRN O=C(NCc1ccccc1O)NCc1ccc(Cl)cc1F ZINC000777651370 623551817 /nfs/dbraw/zinc/55/18/17/623551817.db2.gz SVNPMKDUKOHRAZ-UHFFFAOYSA-N 0 0 308.740 3.184 20 10 DGCDRN CN1CCCc2cc(CNC(=O)NOC3CCCCC3)ccc21 ZINC000777714902 623559246 /nfs/dbraw/zinc/55/92/46/623559246.db2.gz DGZWVXDEDAGODZ-UHFFFAOYSA-N 0 0 317.433 3.133 20 10 DGCDRN O=C1CCN1c1cccc(NCc2cc(Cl)ccc2O)c1 ZINC000790485391 625660759 /nfs/dbraw/zinc/66/07/59/625660759.db2.gz FTHCUXHLXCVGID-UHFFFAOYSA-N 0 0 302.761 3.394 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCC=CO1 ZINC000777848050 623575722 /nfs/dbraw/zinc/57/57/22/623575722.db2.gz UHUCRJCMHCPDAE-SFHVURJKSA-N 0 0 314.429 3.328 20 10 DGCDRN CCCCN(C(=O)/C=C\c1cnn(C)c1)c1ccc(Cl)nc1 ZINC000876316660 623582706 /nfs/dbraw/zinc/58/27/06/623582706.db2.gz NCFUFDSZPIXURO-YVMONPNESA-N 0 0 318.808 3.315 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1ccc(Cl)cn1 ZINC000778222705 623628013 /nfs/dbraw/zinc/62/80/13/623628013.db2.gz BODPRRAOCKHCRW-UHFFFAOYSA-N 0 0 303.793 3.200 20 10 DGCDRN COCC[N@H+](Cc1cccs1)Cc1ccc(F)c(F)c1[O-] ZINC000876547236 623639679 /nfs/dbraw/zinc/63/96/79/623639679.db2.gz LWFLWEVURQASLQ-UHFFFAOYSA-N 0 0 313.369 3.381 20 10 DGCDRN [O-]c1c(CN2CCC([NH+]3CCCCC3)CC2)ccc(F)c1F ZINC000876560432 623644851 /nfs/dbraw/zinc/64/48/51/623644851.db2.gz DSCBZFWQTAJREQ-UHFFFAOYSA-N 0 0 310.388 3.121 20 10 DGCDRN O=C(N[C@@H]1CCCOc2c(F)cccc21)C1=CC(=O)CS1 ZINC000778513406 623662679 /nfs/dbraw/zinc/66/26/79/623662679.db2.gz AXCJVQPHIXZDAK-GFCCVEGCSA-N 0 0 307.346 3.237 20 10 DGCDRN C[C@H](CSc1ccccc1)C(=O)NCc1ccc(O)c(O)c1 ZINC000778917831 623711368 /nfs/dbraw/zinc/71/13/68/623711368.db2.gz JOOZLQOFZIATJX-GFCCVEGCSA-N 0 0 317.410 3.142 20 10 DGCDRN Cc1ccc(CNc2ccc(N3CCOCC3)cc2C)c(O)c1 ZINC000876818146 623715980 /nfs/dbraw/zinc/71/59/80/623715980.db2.gz MTKPXFUTJNOEGW-UHFFFAOYSA-N 0 0 312.413 3.458 20 10 DGCDRN Cc1ccccc1[C@@H]1CN(Cc2cc(F)ccc2O)CCO1 ZINC000779019759 623722078 /nfs/dbraw/zinc/72/20/78/623722078.db2.gz HXXOIUGNGBPSKW-SFHVURJKSA-N 0 0 301.361 3.413 20 10 DGCDRN Cc1ccc(CNc2ccc(OCC(C)(C)O)cc2)c(O)c1 ZINC000876862319 623731240 /nfs/dbraw/zinc/73/12/40/623731240.db2.gz MTXHDHFIHYEJND-UHFFFAOYSA-N 0 0 301.386 3.462 20 10 DGCDRN CCOCc1ccccc1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000876915078 623743059 /nfs/dbraw/zinc/74/30/59/623743059.db2.gz LAASUBUIYUFDIE-UHFFFAOYSA-N 0 0 307.340 3.497 20 10 DGCDRN CCc1nc(C)c(NC(=O)/C=C\c2ccc(O)c(O)c2)s1 ZINC000779308953 623758958 /nfs/dbraw/zinc/75/89/58/623758958.db2.gz GIQZECVYISDYOU-ALCCZGGFSA-N 0 0 304.371 3.077 20 10 DGCDRN Cc1cc(C(=O)NOC2CCCCC2)c(C)n1-c1ccccn1 ZINC000779323477 623760401 /nfs/dbraw/zinc/76/04/01/623760401.db2.gz PZAKRJHBKBDSQZ-UHFFFAOYSA-N 0 0 313.401 3.483 20 10 DGCDRN CC[C@]1(O)CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000779335239 623761254 /nfs/dbraw/zinc/76/12/54/623761254.db2.gz GQBLOCSLGGIEOA-IBGZPJMESA-N 0 0 312.413 3.081 20 10 DGCDRN CN(C)c1ccc(CNc2ccnc(N3CCCCC3)n2)cc1 ZINC000779427582 623768751 /nfs/dbraw/zinc/76/87/51/623768751.db2.gz CXGROTYCEJGQFG-UHFFFAOYSA-N 0 0 311.433 3.145 20 10 DGCDRN CCOc1cc(C[NH2+]Cc2ccc(F)c(F)c2[O-])ccc1OC ZINC000877036916 623771977 /nfs/dbraw/zinc/77/19/77/623771977.db2.gz VJSGHPIEJVUZRF-UHFFFAOYSA-N 0 0 323.339 3.368 20 10 DGCDRN Cc1ccc(/C=C\C(=O)N2CCN(C)c3ccc(F)cc32)cn1 ZINC000779472763 623773421 /nfs/dbraw/zinc/77/34/21/623773421.db2.gz HTSHTBGKAXFBOJ-YVMONPNESA-N 0 0 311.360 3.025 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000779486382 623774144 /nfs/dbraw/zinc/77/41/44/623774144.db2.gz WQDCPFNMKZABGD-UEDYQVLESA-N 0 0 301.386 3.196 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](c1cccs1)C1CC1 ZINC000779492072 623775135 /nfs/dbraw/zinc/77/51/35/623775135.db2.gz BJYREFZSGNLDEN-LYLYKKCESA-N 0 0 315.394 3.440 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](c1cccs1)C1CC1 ZINC000779492073 623775272 /nfs/dbraw/zinc/77/52/72/623775272.db2.gz BJYREFZSGNLDEN-RLXIPRIJSA-N 0 0 315.394 3.440 20 10 DGCDRN Cc1cccc2c1CCN(C(=O)/C=C/c1ccc(O)c(O)c1)C2 ZINC000779512215 623776033 /nfs/dbraw/zinc/77/60/33/623776033.db2.gz OKOLCLDCQKOXLO-SOFGYWHQSA-N 0 0 309.365 3.004 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCCc2ccccc21 ZINC000779512227 623776041 /nfs/dbraw/zinc/77/60/41/623776041.db2.gz OVZLICVTWNKHNA-PKNBQFBNSA-N 0 0 309.365 3.481 20 10 DGCDRN CC(C)[C@@H]1CCC[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000779511798 623776047 /nfs/dbraw/zinc/77/60/47/623776047.db2.gz LHHPXHNPPCAYBI-VIGJRRFGSA-N 0 0 303.402 3.442 20 10 DGCDRN CC(C)(C)[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(F)(F)F ZINC000779525777 623777295 /nfs/dbraw/zinc/77/72/95/623777295.db2.gz RTDMYVMNBMFVTN-SCXUMTSISA-N 0 0 317.307 3.204 20 10 DGCDRN Cc1cccc2c1CCCN2C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779522094 623777300 /nfs/dbraw/zinc/77/73/00/623777300.db2.gz RBZDIPKSNRSRED-NTMALXAHSA-N 0 0 309.365 3.399 20 10 DGCDRN Cc1ccccc1C1=CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000779687019 623787720 /nfs/dbraw/zinc/78/77/20/623787720.db2.gz ZLXKJEZKSWPPIA-CLFYSBASSA-N 0 0 321.376 3.345 20 10 DGCDRN [O-]c1c(C[NH2+]CC2([C@H](O)c3ccccc3)CC2)ccc(F)c1F ZINC000877110756 623793080 /nfs/dbraw/zinc/79/30/80/623793080.db2.gz AZGKRBRFUOOQQN-QGZVFWFLSA-N 0 0 319.351 3.274 20 10 DGCDRN [O-]c1c(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)ccc(F)c1F ZINC000877117823 623795204 /nfs/dbraw/zinc/79/52/04/623795204.db2.gz YIENXIBCIORMEB-HFBAOOFYSA-N 0 0 309.356 3.108 20 10 DGCDRN CCOC(=O)COc1cccc(NCc2ccc(C)cc2O)c1 ZINC000877169189 623814414 /nfs/dbraw/zinc/81/44/14/623814414.db2.gz JEPYNFLBYHKYMT-UHFFFAOYSA-N 0 0 315.369 3.255 20 10 DGCDRN CC/C(C)=C(\C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000779857911 623822502 /nfs/dbraw/zinc/82/25/02/623822502.db2.gz QGZSHCXHRKTXLS-BUHFOSPRSA-N 0 0 320.408 3.025 20 10 DGCDRN CC/C(C)=C(/C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000779857913 623822665 /nfs/dbraw/zinc/82/26/65/623822665.db2.gz QGZSHCXHRKTXLS-YPKPFQOOSA-N 0 0 320.408 3.025 20 10 DGCDRN CCOC(=O)COc1ccc(NCc2c(C)cccc2O)cc1 ZINC000877324569 623853008 /nfs/dbraw/zinc/85/30/08/623853008.db2.gz BLYWWBJOVXZVIR-UHFFFAOYSA-N 0 0 315.369 3.255 20 10 DGCDRN [O-]c1c(C[NH2+][C@@H]2CCOc3c(F)cccc32)ccc(F)c1F ZINC000877462680 623894702 /nfs/dbraw/zinc/89/47/02/623894702.db2.gz VMQBPAKONDOOKW-CYBMUJFWSA-N 0 0 309.287 3.423 20 10 DGCDRN CCCOc1ccc(CN[C@@H](CC(F)F)C(=O)OC)cc1C ZINC000877468740 623897404 /nfs/dbraw/zinc/89/74/04/623897404.db2.gz FLOITLJYXXNIRM-ZDUSSCGKSA-N 0 0 315.360 3.070 20 10 DGCDRN CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])[nH]1 ZINC000877475118 623899417 /nfs/dbraw/zinc/89/94/17/623899417.db2.gz MBJWBIMVHKMFAO-BDAKNGLRSA-N 0 0 310.348 3.153 20 10 DGCDRN Cc1ccc(CNc2cccc(N3C(=O)CCCC3=O)c2)c(O)c1 ZINC000877490116 623908885 /nfs/dbraw/zinc/90/88/85/623908885.db2.gz UXVVSZPGYNSBIP-UHFFFAOYSA-N 0 0 324.380 3.356 20 10 DGCDRN CO[C@@](C)(C[NH2+]Cc1ccc(F)c(F)c1[O-])c1ccccc1 ZINC000877565198 623945200 /nfs/dbraw/zinc/94/52/00/623945200.db2.gz VEJYHDIGCIDBDO-KRWDZBQOSA-N 0 0 307.340 3.322 20 10 DGCDRN [O-]c1c(C[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)ccc(F)c1F ZINC000877568354 623945776 /nfs/dbraw/zinc/94/57/76/623945776.db2.gz LQAWXICRZMMCDY-UKRRQHHQSA-N 0 0 320.339 3.075 20 10 DGCDRN COc1cccc(C2=CCN(C(=O)C3=CC(=O)CS3)C2)c1 ZINC000780737735 623976230 /nfs/dbraw/zinc/97/62/30/623976230.db2.gz BEQNIRFFQAWYSK-UHFFFAOYSA-N 0 0 301.367 3.002 20 10 DGCDRN COc1ccc(CN(C)c2ccc3c(c2)OCO3)c(OC)c1 ZINC000780778476 623982276 /nfs/dbraw/zinc/98/22/76/623982276.db2.gz LJNXGLCWALDQOR-UHFFFAOYSA-N 0 0 301.342 3.069 20 10 DGCDRN Cc1cc(O)c(CN2CCN3CCOc4cccc2c43)cc1C ZINC000780782736 623983085 /nfs/dbraw/zinc/98/30/85/623983085.db2.gz UDXIUAIOMUBJIA-UHFFFAOYSA-N 0 0 310.397 3.228 20 10 DGCDRN Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c1O ZINC000877681439 623988850 /nfs/dbraw/zinc/98/88/50/623988850.db2.gz GSUCWMMJAZIOPK-OUJBWJOFSA-N 0 0 314.223 3.119 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc([C@@H]3C[C@@H]3C)o2)c(O)c1O ZINC000780904089 623996342 /nfs/dbraw/zinc/99/63/42/623996342.db2.gz YADITMJOZXWMPZ-GXFFZTMASA-N 0 0 301.342 3.053 20 10 DGCDRN Cc1ccnc(CN2Cc3cccc(O)c3C2)c1Br ZINC000877703210 623999228 /nfs/dbraw/zinc/99/92/28/623999228.db2.gz WIUOANINDPSLJG-UHFFFAOYSA-N 0 0 319.202 3.374 20 10 DGCDRN Cc1ccc(C(=O)N2CC[C@H]2c2cccc(F)c2)c(O)c1O ZINC000780953222 624002699 /nfs/dbraw/zinc/00/26/99/624002699.db2.gz TVCHXIPPBCEINS-AWEZNQCLSA-N 0 0 301.317 3.133 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2conc2C)cc1 ZINC000888750949 624019714 /nfs/dbraw/zinc/01/97/14/624019714.db2.gz OSHVUQYBKMRBKC-UHFFFAOYSA-N 0 0 316.405 3.493 20 10 DGCDRN COc1cc(Cl)cc(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)c1O ZINC000877807519 624040235 /nfs/dbraw/zinc/04/02/35/624040235.db2.gz WTYDTUGKJOBCJA-LEWSCRJBSA-N 0 0 311.809 3.101 20 10 DGCDRN O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)c1cccc(O)c1O ZINC000790767473 625694493 /nfs/dbraw/zinc/69/44/93/625694493.db2.gz LJSCYFBWTYDNJW-BXKDBHETSA-N 0 0 321.735 3.176 20 10 DGCDRN COc1cccc(CNC(=O)C23CC(c4ccccc4)(C2)C3)c1O ZINC000790788150 625697661 /nfs/dbraw/zinc/69/76/61/625697661.db2.gz SPENHWQGPJSEFO-UHFFFAOYSA-N 0 0 323.392 3.139 20 10 DGCDRN Cc1cc(O)c([C@@H]2NC(=O)c3ccc(F)cc3N2)cc1Cl ZINC000877847653 624068283 /nfs/dbraw/zinc/06/82/83/624068283.db2.gz CJSJRVHILFZTMP-AWEZNQCLSA-N 0 0 306.724 3.347 20 10 DGCDRN CC1(C)N[C@@H](c2cc(Cl)ccc2O)N(CC2CCCC2)C1=O ZINC000877856576 624070136 /nfs/dbraw/zinc/07/01/36/624070136.db2.gz FCUXHYMERJZPEW-OAHLLOKOSA-N 0 0 322.836 3.445 20 10 DGCDRN CN(C)c1ccc([C@@H]2NC(C)(C)C(=O)N2CC2CCCC2)cc1 ZINC000877857689 624071537 /nfs/dbraw/zinc/07/15/37/624071537.db2.gz XOBUIDFEESIWIZ-QGZVFWFLSA-N 0 0 315.461 3.152 20 10 DGCDRN Cc1nn(-c2ccccc2)cc1NC(=O)NCc1ccccc1O ZINC000781468094 624076196 /nfs/dbraw/zinc/07/61/96/624076196.db2.gz DQVDORGLDDAJIX-UHFFFAOYSA-N 0 0 322.368 3.208 20 10 DGCDRN Cc1cc(Br)c(O)c(CNc2nnc(C3CC3)o2)c1 ZINC000781560247 624093429 /nfs/dbraw/zinc/09/34/29/624093429.db2.gz VPJATMLUBVLESX-UHFFFAOYSA-N 0 0 324.178 3.336 20 10 DGCDRN COc1cc(N(C)C[C@@H]2C[C@H]3CCC[C@H]3O2)cc(OC)c1OC ZINC000878128541 624180923 /nfs/dbraw/zinc/18/09/23/624180923.db2.gz FRCGOPAZUPXFMY-VHDGCEQUSA-N 0 0 321.417 3.106 20 10 DGCDRN CC(C)=C[C@@H]1[C@@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)C1(C)C ZINC000782220943 624223210 /nfs/dbraw/zinc/22/32/10/624223210.db2.gz LGZUKMNFQSEEGM-WBMJQRKESA-N 0 0 318.369 3.062 20 10 DGCDRN Cc1ccc(F)cc1COC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000782296496 624235475 /nfs/dbraw/zinc/23/54/75/624235475.db2.gz SCEYHUPKQBEZGZ-DAXSKMNVSA-N 0 0 302.301 3.302 20 10 DGCDRN Oc1c(Br)cccc1CNc1cccc2c1OCO2 ZINC000782382294 624246232 /nfs/dbraw/zinc/24/62/32/624246232.db2.gz USAJZOWVLKWBML-UHFFFAOYSA-N 0 0 322.158 3.496 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2C[C@H](C)O[C@@H](C)[C@@H]2C)c1O ZINC000782630227 624269166 /nfs/dbraw/zinc/26/91/66/624269166.db2.gz ZAKQSBGVDKLPPN-NHCYSSNCSA-N 0 0 311.809 3.246 20 10 DGCDRN C[C@@H](NCc1nc(C2CCC2)no1)c1ccc(N(C)C)cc1 ZINC000878454286 624282367 /nfs/dbraw/zinc/28/23/67/624282367.db2.gz AVOTXGADLPAPHE-GFCCVEGCSA-N 0 0 300.406 3.254 20 10 DGCDRN CCCNc1ccccc1NC(=O)c1ccc(C)c(O)c1O ZINC000790870424 625710401 /nfs/dbraw/zinc/71/04/01/625710401.db2.gz BKXQBLYLQJLEHX-UHFFFAOYSA-N 0 0 300.358 3.480 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccnc(C2CC2)c1 ZINC000783049026 624304516 /nfs/dbraw/zinc/30/45/16/624304516.db2.gz CKIVUYQPLAKJQL-UHFFFAOYSA-N 0 0 309.413 3.263 20 10 DGCDRN O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(O)c1O ZINC000790874342 625711083 /nfs/dbraw/zinc/71/10/83/625711083.db2.gz COXKDKFASWNREZ-VHSXEESVSA-N 0 0 317.307 3.196 20 10 DGCDRN C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)c1cccc(O)c1O ZINC000790882404 625712173 /nfs/dbraw/zinc/71/21/73/625712173.db2.gz NJQLHGVTSACTJM-SECBINFHSA-N 0 0 319.307 3.136 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCCS1 ZINC000783384892 624342688 /nfs/dbraw/zinc/34/26/88/624342688.db2.gz FWUQJXQYXLJIQT-INIZCTEOSA-N 0 0 306.475 3.387 20 10 DGCDRN COc1cccnc1CNC(=S)Nc1cc(C)cc(C)c1 ZINC000840826160 624356153 /nfs/dbraw/zinc/35/61/53/624356153.db2.gz REPGMBGSWORQBK-UHFFFAOYSA-N 0 0 301.415 3.194 20 10 DGCDRN CC(C)(C)c1cc(O)c(O)c(CN2CCc3ncsc3C2)c1 ZINC000783546492 624363937 /nfs/dbraw/zinc/36/39/37/624363937.db2.gz KMSSCPPZUBMLTC-UHFFFAOYSA-N 0 0 318.442 3.410 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccnc(C3CC3)c2)c1 ZINC000783589989 624371965 /nfs/dbraw/zinc/37/19/65/624371965.db2.gz RKWAXNLMOLIFPP-NSHDSACASA-N 0 0 312.369 3.164 20 10 DGCDRN CC[C@H](CC1CCCC1)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783673774 624381823 /nfs/dbraw/zinc/38/18/23/624381823.db2.gz NNCAEKGAVZHIBO-CYBMUJFWSA-N 0 0 320.385 3.430 20 10 DGCDRN Cn1cc(/C=C\C(=O)N(Cc2ccco2)c2ccccc2)cn1 ZINC000783670350 624382105 /nfs/dbraw/zinc/38/21/05/624382105.db2.gz STYKYGNXTNGFSK-KTKRTIGZSA-N 0 0 307.353 3.260 20 10 DGCDRN C[C@@H]1CN(Cc2cc(Br)ccc2O)[C@H](C)[C@H](C)O1 ZINC000783738882 624390065 /nfs/dbraw/zinc/39/00/65/624390065.db2.gz YHKIJZVYMDOLOE-MXWKQRLJSA-N 0 0 314.223 3.152 20 10 DGCDRN Cc1nc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000879015792 624408738 /nfs/dbraw/zinc/40/87/38/624408738.db2.gz CTRBBLKCZIKRPK-SNVBAGLBSA-N 0 0 304.419 3.400 20 10 DGCDRN Cc1ccncc1/C=C\C(=O)NCc1ccc(N(C)C)cc1C ZINC000784005265 624419927 /nfs/dbraw/zinc/41/99/27/624419927.db2.gz KBXLZPUDEDCXEZ-VURMDHGXSA-N 0 0 309.413 3.094 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1nccs1 ZINC000784056640 624429006 /nfs/dbraw/zinc/42/90/06/624429006.db2.gz WJJPWBOOKWHWRP-UHFFFAOYSA-N 0 0 321.365 3.105 20 10 DGCDRN Cc1ccncc1/C=C\C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000784088317 624435771 /nfs/dbraw/zinc/43/57/71/624435771.db2.gz FKGZFAHCPURPGW-FPLPWBNLSA-N 0 0 323.352 3.291 20 10 DGCDRN CCOc1cccc(NC(=O)N[C@H](C)c2ccccc2O)n1 ZINC000879205203 624450137 /nfs/dbraw/zinc/45/01/37/624450137.db2.gz GAGMTZQEBUOGRM-LLVKDONJSA-N 0 0 301.346 3.069 20 10 DGCDRN COc1ccc(N(C)CCCC(=O)OC(C)(C)C)c(OC)c1 ZINC000784202233 624454272 /nfs/dbraw/zinc/45/42/72/624454272.db2.gz AWRTXDLEIXKYNS-UHFFFAOYSA-N 0 0 309.406 3.262 20 10 DGCDRN C[C@@H](NC(=O)Nc1cnn([C@@H](C)C2CC2)c1)c1ccccc1O ZINC000879296244 624489628 /nfs/dbraw/zinc/48/96/28/624489628.db2.gz IKWWUNGDHRQPSL-NEPJUHHUSA-N 0 0 314.389 3.442 20 10 DGCDRN CCOc1ccc(CNc2nc3cc(F)ccc3[nH]2)c(O)c1 ZINC000784324078 624498595 /nfs/dbraw/zinc/49/85/95/624498595.db2.gz OTOYTBRMTKJMLM-UHFFFAOYSA-N 0 0 301.321 3.418 20 10 DGCDRN CCc1ncsc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000127730263 624541871 /nfs/dbraw/zinc/54/18/71/624541871.db2.gz SHFHGLACLADDJX-UHFFFAOYSA-N 0 0 303.431 3.044 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC[C@@H]2CCOC2)cc1 ZINC000784590469 624553793 /nfs/dbraw/zinc/55/37/93/624553793.db2.gz RYFILVQHRGGLJH-MRXNPFEDSA-N 0 0 312.413 3.251 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@]2(C)CCO[C@H]2C)c1 ZINC000784640119 624564166 /nfs/dbraw/zinc/56/41/66/624564166.db2.gz LKCZJGMDCLCPGF-HZMBPMFUSA-N 0 0 314.223 3.120 20 10 DGCDRN COc1cccc(CNC(=O)c2ccc(F)c(SC)c2)c1O ZINC000127989739 624667748 /nfs/dbraw/zinc/66/77/48/624667748.db2.gz YOEGPXSTKKWUMA-UHFFFAOYSA-N 0 0 321.373 3.192 20 10 DGCDRN NC(=O)N1CCc2ccc(NCc3c(O)cccc3Cl)cc21 ZINC000785572616 624689198 /nfs/dbraw/zinc/68/91/98/624689198.db2.gz QHRIPWRQMCXTAO-UHFFFAOYSA-N 0 0 317.776 3.099 20 10 DGCDRN C[C@H]1CN(Cc2ccc(N(C)C)cc2)c2ccccc2N(C)C1=O ZINC000785756208 624724808 /nfs/dbraw/zinc/72/48/08/624724808.db2.gz LMSCCEMOKWKWFN-HNNXBMFYSA-N 0 0 323.440 3.372 20 10 DGCDRN C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000785990108 624775381 /nfs/dbraw/zinc/77/53/81/624775381.db2.gz ZAUGHONHFSDMJY-BFVZDQMLSA-N 0 0 301.789 3.166 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C2(COC)CCC2)cc1F ZINC000786119611 624805753 /nfs/dbraw/zinc/80/57/53/624805753.db2.gz HKRGIVZBCQUCGC-UHFFFAOYSA-N 0 0 322.424 3.105 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C)[C@@H](C)OC)cc1 ZINC000786147814 624811908 /nfs/dbraw/zinc/81/19/08/624811908.db2.gz PXWTWZZZBWUVBY-LSDHHAIUSA-N 0 0 321.465 3.098 20 10 DGCDRN Cc1sccc1CC(=O)NCc1ccc(N(C)C)cc1C ZINC000786987058 624970004 /nfs/dbraw/zinc/97/00/04/624970004.db2.gz DUICYOUMZZEHTR-UHFFFAOYSA-N 0 0 302.443 3.290 20 10 DGCDRN CC(C)n1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000787298484 624998518 /nfs/dbraw/zinc/99/85/18/624998518.db2.gz AKTPFKZOKPRVPG-CYBMUJFWSA-N 0 0 300.406 3.021 20 10 DGCDRN Cc1ccc(N2CCNC2=O)cc1NCc1cccc(C)c1O ZINC000787312516 624999580 /nfs/dbraw/zinc/99/95/80/624999580.db2.gz YTOGIBBWWDLDQS-UHFFFAOYSA-N 0 0 311.385 3.151 20 10 DGCDRN COc1ccc(NCc2cccc(Cl)c2O)cc1NC(N)=O ZINC000787312596 625000483 /nfs/dbraw/zinc/00/04/83/625000483.db2.gz ONLCTQQALDAZML-UHFFFAOYSA-N 0 0 321.764 3.157 20 10 DGCDRN CCn1ccc(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)n1 ZINC000839810811 625002592 /nfs/dbraw/zinc/00/25/92/625002592.db2.gz LEYFHYYBHZQGPQ-UHFFFAOYSA-N 0 0 322.412 3.241 20 10 DGCDRN C[C@@H](NC(=O)NC1(C2CC2)CCC1)c1ccc(N(C)C)cc1 ZINC000888829535 625004772 /nfs/dbraw/zinc/00/47/72/625004772.db2.gz IDJDIWIVEMQBMA-CYBMUJFWSA-N 0 0 301.434 3.446 20 10 DGCDRN CN(C)c1ccc(CN(C)CC(F)(F)Br)cc1 ZINC000805835284 625007548 /nfs/dbraw/zinc/00/75/48/625007548.db2.gz KBWFUYSGEMKNKP-UHFFFAOYSA-N 0 0 307.182 3.172 20 10 DGCDRN CO[C@@H](CC[NH2+]Cc1cc(Cl)cc(F)c1[O-])C(F)(F)F ZINC000787416466 625008705 /nfs/dbraw/zinc/00/87/05/625008705.db2.gz DRMBUEPBDAQDTD-JTQLQIEISA-N 0 0 315.694 3.242 20 10 DGCDRN CCOC(=O)[C@@H](CC)N(Cc1ccc(OCC)cc1O)C1CC1 ZINC000787441733 625010850 /nfs/dbraw/zinc/01/08/50/625010850.db2.gz YXJHDKYPNYMIEL-MRXNPFEDSA-N 0 0 321.417 3.097 20 10 DGCDRN Cc1cc(C(=O)N(C)c2nccn2C)c(C)n1-c1cccc(C)c1 ZINC000788201061 625093508 /nfs/dbraw/zinc/09/35/08/625093508.db2.gz PDHRISBJLBHIMP-UHFFFAOYSA-N 0 0 322.412 3.413 20 10 DGCDRN CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccnn1C ZINC000788260118 625108372 /nfs/dbraw/zinc/10/83/72/625108372.db2.gz TXPRAEMNUFDNDA-WFASDCNBSA-N 0 0 305.397 3.355 20 10 DGCDRN COC(=O)[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccsc1 ZINC000788400635 625152640 /nfs/dbraw/zinc/15/26/40/625152640.db2.gz MGKCEINKKODTQA-LRDDRELGSA-N 0 0 318.442 3.379 20 10 DGCDRN COc1ccc(CNC(=O)Nc2ncsc2C2CC2)c(O)c1 ZINC000881031402 625210242 /nfs/dbraw/zinc/21/02/42/625210242.db2.gz NEHJDJLSWYQXBI-UHFFFAOYSA-N 0 0 319.386 3.056 20 10 DGCDRN C=C/C(C)=C/CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000788655292 625236596 /nfs/dbraw/zinc/23/65/96/625236596.db2.gz QGJQLDCKCXZYDL-IUYQLWOBSA-N 0 0 315.413 3.422 20 10 DGCDRN C[C@H](CC[S@](C)=O)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788669814 625238672 /nfs/dbraw/zinc/23/86/72/625238672.db2.gz PNFWOCYEXBHTPZ-QDXVKYEASA-N 0 0 323.380 3.219 20 10 DGCDRN COc1nc(Br)ccc1NCc1cc(C)ccc1O ZINC000788738117 625254902 /nfs/dbraw/zinc/25/49/02/625254902.db2.gz VSFLLPUUUWMHGZ-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000788763484 625260869 /nfs/dbraw/zinc/26/08/69/625260869.db2.gz IZICROYZVQVTHX-AXTRIDKLSA-N 0 0 303.324 3.221 20 10 DGCDRN C[C@H](CN1CCC[C@@H](C)C1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790956134 625721604 /nfs/dbraw/zinc/72/16/04/625721604.db2.gz OHDKYFPGSCJGMT-VXGBXAGGSA-N 0 0 314.832 3.395 20 10 DGCDRN Cc1ccc2nc(C[NH2+]Cc3c([O-])ccc(Cl)c3F)cn2c1 ZINC000790959077 625723032 /nfs/dbraw/zinc/72/30/32/625723032.db2.gz DTHLRFQRHACDMM-UHFFFAOYSA-N 0 0 319.767 3.431 20 10 DGCDRN C[C@](CO)([NH2+]Cc1c([O-])ccc(Cl)c1F)c1ccccc1 ZINC000790966659 625724976 /nfs/dbraw/zinc/72/49/76/625724976.db2.gz YHKVDQREQANTDP-MRXNPFEDSA-N 0 0 309.768 3.182 20 10 DGCDRN CCOC1(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCCC1 ZINC000790968804 625725724 /nfs/dbraw/zinc/72/57/24/625725724.db2.gz OOLRVOVUESLMRW-CQSZACIVSA-N 0 0 304.434 3.279 20 10 DGCDRN CC(C)CC[C@](C)(O)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790971106 625725735 /nfs/dbraw/zinc/72/57/35/625725735.db2.gz OTOUMMCNAOSXDX-HNNXBMFYSA-N 0 0 303.805 3.462 20 10 DGCDRN O=[N+]([O-])c1ccccc1CC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790972845 625726716 /nfs/dbraw/zinc/72/67/16/625726716.db2.gz KKSBVNMVBBFBBP-UHFFFAOYSA-N 0 0 324.739 3.425 20 10 DGCDRN COCCCn1ccc(NCc2c(O)ccc(Cl)c2F)n1 ZINC000790976366 625727471 /nfs/dbraw/zinc/72/74/71/625727471.db2.gz ARAXSXCRDDJKGL-UHFFFAOYSA-N 0 0 313.760 3.030 20 10 DGCDRN C[C@]1(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CCO[C@H]1C1CC1 ZINC000790990924 625731839 /nfs/dbraw/zinc/73/18/39/625731839.db2.gz NIYHYKLIBAZOLH-JKSUJKDBSA-N 0 0 313.800 3.480 20 10 DGCDRN Cc1ccc(C[C@H](CO)[NH2+]Cc2c([O-])ccc(Cl)c2F)cc1 ZINC000790990802 625732447 /nfs/dbraw/zinc/73/24/47/625732447.db2.gz FWVVSCUSKCSINS-CYBMUJFWSA-N 0 0 323.795 3.186 20 10 DGCDRN CC[C@]1([NH2+]Cc2cc(C)cc(Br)c2[O-])CCOC1 ZINC000791005713 625736339 /nfs/dbraw/zinc/73/63/39/625736339.db2.gz XGMDGHRXNTWKJM-AWEZNQCLSA-N 0 0 314.223 3.122 20 10 DGCDRN COc1cccc(CNC(=O)NCC2(CC(C)C)CCC2)c1O ZINC000129885853 625794528 /nfs/dbraw/zinc/79/45/28/625794528.db2.gz UHVKXYUHYVMLGK-UHFFFAOYSA-N 0 0 320.433 3.416 20 10 DGCDRN Cc1cccc(/C=C2/SC(=S)N(Cc3ccon3)C2=O)c1 ZINC000130333904 625838730 /nfs/dbraw/zinc/83/87/30/625838730.db2.gz CFEXDUQXPOCHRG-MDWZMJQESA-N 0 0 316.407 3.384 20 10 DGCDRN Cc1ccsc1/C=C1/SC(=S)N(Cc2ccon2)C1=O ZINC000130357478 625840959 /nfs/dbraw/zinc/84/09/59/625840959.db2.gz KELZGOXXDUILLT-IZZDOVSWSA-N 0 0 322.436 3.446 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccc2c(c1)OCCO2 ZINC000882880569 625842083 /nfs/dbraw/zinc/84/20/83/625842083.db2.gz YPWDZNMJYKAKLD-JTQLQIEISA-N 0 0 321.323 3.292 20 10 DGCDRN C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)C1CCC1 ZINC000130675828 625886700 /nfs/dbraw/zinc/88/67/00/625886700.db2.gz VHJDBQXBTUDBCH-ZDUSSCGKSA-N 0 0 301.434 3.057 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000792167730 625918793 /nfs/dbraw/zinc/91/87/93/625918793.db2.gz OQYZMSLSHOOGQU-LBPRGKRZSA-N 0 0 312.816 3.245 20 10 DGCDRN Oc1c(F)cc(F)cc1CNc1cnn(CC(F)(F)F)c1 ZINC000883079697 625919044 /nfs/dbraw/zinc/91/90/44/625919044.db2.gz AKECSSRNTRUKGA-UHFFFAOYSA-N 0 0 307.222 3.041 20 10 DGCDRN COc1cc(N(C)CC2(OC)CCCC2)cc(OC)c1OC ZINC000792174465 625919531 /nfs/dbraw/zinc/91/95/31/625919531.db2.gz WIVGCRBSKLRLHM-UHFFFAOYSA-N 0 0 309.406 3.108 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc2oc(=O)oc2c1)c1ccc(N(C)C)cc1 ZINC000883092062 625924405 /nfs/dbraw/zinc/92/44/05/625924405.db2.gz FCKPPMIHYTZIOS-GFCCVEGCSA-N 0 0 312.369 3.303 20 10 DGCDRN Cc1cc(C)cc([C@H](O)C[NH2+]Cc2cc(F)cc(F)c2[O-])c1 ZINC000883112166 625930718 /nfs/dbraw/zinc/93/07/18/625930718.db2.gz BOADKUXNGPYVEA-MRXNPFEDSA-N 0 0 307.340 3.110 20 10 DGCDRN COc1ccccc1C1([NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000883152311 625944420 /nfs/dbraw/zinc/94/44/20/625944420.db2.gz RAQWGUWEKCRHOP-UHFFFAOYSA-N 0 0 305.324 3.458 20 10 DGCDRN CC[C@H]1CCCC[C@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000796318286 626038011 /nfs/dbraw/zinc/03/80/11/626038011.db2.gz AHHXCGOWOHJBJS-WCQYABFASA-N 0 0 306.358 3.040 20 10 DGCDRN CCC[C@@]1([NH2+]Cc2cc(Cl)cc(C(C)=O)c2[O-])CCOC1 ZINC000796440564 626049859 /nfs/dbraw/zinc/04/98/59/626049859.db2.gz IHGJDKSYGMEKDR-MRXNPFEDSA-N 0 0 311.809 3.297 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000796500030 626056534 /nfs/dbraw/zinc/05/65/34/626056534.db2.gz DCMXAYCDQUQXJY-RBUKOAKNSA-N 0 0 308.425 3.481 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cn2ccsc2n1)c1ccc(F)cc1[O-] ZINC000796706981 626075054 /nfs/dbraw/zinc/07/50/54/626075054.db2.gz BXHGVFIKIKQJFX-CYBMUJFWSA-N 0 0 305.378 3.481 20 10 DGCDRN CC[C@H]([NH2+]CCc1cnc(C2CC2)nc1)c1ccc(F)cc1[O-] ZINC000796846018 626089303 /nfs/dbraw/zinc/08/93/03/626089303.db2.gz DRIOQPBXBZHOOI-INIZCTEOSA-N 0 0 315.392 3.482 20 10 DGCDRN CC[C@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccc(F)cc1[O-] ZINC000796944327 626098302 /nfs/dbraw/zinc/09/83/02/626098302.db2.gz WBKFHZDJHQHSRO-AWEZNQCLSA-N 0 0 321.421 3.117 20 10 DGCDRN CC[C@H]([NH2+][C@@H](CO)Cc1ccc(C)cc1)c1ccc(F)cc1[O-] ZINC000796959523 626099782 /nfs/dbraw/zinc/09/97/82/626099782.db2.gz RADZUEXAQMRSDG-AEFFLSMTSA-N 0 0 317.404 3.484 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](CO)Cc1ccccc1C)c1ccc(F)cc1[O-] ZINC000796959208 626099932 /nfs/dbraw/zinc/09/99/32/626099932.db2.gz LVPHIPBKPZRZGX-SJLPKXTDSA-N 0 0 317.404 3.484 20 10 DGCDRN CC[C@H]([NH2+][C@@H](CO)Cc1cccc(C)c1)c1ccc(F)cc1[O-] ZINC000796959505 626100069 /nfs/dbraw/zinc/10/00/69/626100069.db2.gz QPXCLMKEDKORHZ-AEFFLSMTSA-N 0 0 317.404 3.484 20 10 DGCDRN Cc1cc(C(=O)O[C@H](C)c2ccnn2C)c(C)n1-c1ccccn1 ZINC000797009615 626103943 /nfs/dbraw/zinc/10/39/43/626103943.db2.gz UESHVIWKANOYBE-CQSZACIVSA-N 0 0 324.384 3.141 20 10 DGCDRN CNC(=O)Nc1cc(N[C@@H](C)c2ccccc2O)ccc1F ZINC000797056622 626108922 /nfs/dbraw/zinc/10/89/22/626108922.db2.gz OYZSSVCJVKEVTB-JTQLQIEISA-N 0 0 303.337 3.456 20 10 DGCDRN C[C@@H](Cn1ncc2ccccc21)C(=O)N(C)Cc1ccccc1O ZINC000797188708 626123660 /nfs/dbraw/zinc/12/36/60/626123660.db2.gz JKLWPXTZOKFONK-AWEZNQCLSA-N 0 0 323.396 3.037 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(C)=C(C)C1 ZINC000797460478 626144724 /nfs/dbraw/zinc/14/47/24/626144724.db2.gz QUHIJMYUZRQKHN-UHFFFAOYSA-N 0 0 301.434 3.313 20 10 DGCDRN CCc1ccnc(CNC(=S)Nc2ccccc2OC)c1 ZINC000797793257 626169519 /nfs/dbraw/zinc/16/95/19/626169519.db2.gz OGTHGZQZKXIYAM-UHFFFAOYSA-N 0 0 301.415 3.139 20 10 DGCDRN COc1cccc(CNC(=O)c2cccc(F)c2SC)c1O ZINC000797942640 626182979 /nfs/dbraw/zinc/18/29/79/626182979.db2.gz HTTXUTKFMIZDOH-UHFFFAOYSA-N 0 0 321.373 3.192 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)c(O)c1O ZINC000798018595 626189538 /nfs/dbraw/zinc/18/95/38/626189538.db2.gz OAJLPUWNMGTEQO-UONOGXRCSA-N 0 0 317.772 3.346 20 10 DGCDRN C[C@H]1CCC[C@H]1CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000798393724 626215101 /nfs/dbraw/zinc/21/51/01/626215101.db2.gz YEVYUYRIRWFJRI-JSGCOSHPSA-N 0 0 307.413 3.127 20 10 DGCDRN C[C@@H]1CCC[C@@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000798420243 626217402 /nfs/dbraw/zinc/21/74/02/626217402.db2.gz MTWBNPOLJQOLCL-NVXWUHKLSA-N 0 0 313.445 3.298 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCC[C@H]2C)c1 ZINC000798510118 626222625 /nfs/dbraw/zinc/22/26/25/626222625.db2.gz KNBMVUFJFWQBLM-AGIUHOORSA-N 0 0 306.406 3.197 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N(C)[C@@H]1CCOC1 ZINC000798959422 626263285 /nfs/dbraw/zinc/26/32/85/626263285.db2.gz HZJJATWYNCZQOG-MRXNPFEDSA-N 0 0 312.413 3.263 20 10 DGCDRN Cc1ccc(-c2ccnn2C)cc1NC(=O)c1cccc(O)c1O ZINC000799037867 626266734 /nfs/dbraw/zinc/26/67/34/626266734.db2.gz WDDXFKIZDOURJZ-UHFFFAOYSA-N 0 0 323.352 3.059 20 10 DGCDRN O=S(=O)(/C=C/c1ccccc1F)Nc1ccc(O)cc1F ZINC000799924966 626335942 /nfs/dbraw/zinc/33/59/42/626335942.db2.gz KFSZHXOVAMCGDN-BQYQJAHWSA-N 0 0 311.309 3.083 20 10 DGCDRN CCSCCCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000799976379 626339651 /nfs/dbraw/zinc/33/96/51/626339651.db2.gz XDUZQOQZPPGMFV-ZDUSSCGKSA-N 0 0 309.479 3.256 20 10 DGCDRN CCSCCC[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000800282452 626348147 /nfs/dbraw/zinc/34/81/47/626348147.db2.gz QXLGZIHSFBATBV-UHFFFAOYSA-N 0 0 304.799 3.187 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)cc1F ZINC000800331568 626352228 /nfs/dbraw/zinc/35/22/28/626352228.db2.gz YNSSFUHJAUJNCN-GDZNZVCISA-N 0 0 322.424 3.102 20 10 DGCDRN C[C@@H]1C[C@H](NCc2ncnn2C(C)(C)C)c2c1c(F)ccc2O ZINC000800500072 626364780 /nfs/dbraw/zinc/36/47/80/626364780.db2.gz PPHKPLPTQWVXOE-PWSUYJOCSA-N 0 0 318.396 3.216 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCC(F)(F)C2)c1 ZINC000800519787 626365941 /nfs/dbraw/zinc/36/59/41/626365941.db2.gz VNNNTAZDOCPPBC-WDEREUQCSA-N 0 0 313.344 3.404 20 10 DGCDRN COc1cccc(/C=C2\SC(=S)N(C3CC3)C2=O)c1F ZINC000800722360 626372102 /nfs/dbraw/zinc/37/21/02/626372102.db2.gz PERBHOKEDAJMEH-XFFZJAGNSA-N 0 0 309.387 3.198 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H](C)C(F)(F)F ZINC000839919792 626373724 /nfs/dbraw/zinc/37/37/24/626373724.db2.gz TUZOODMRVLDBDX-RYUDHWBXSA-N 0 0 316.367 3.307 20 10 DGCDRN COC[C@H](C)[C@H](C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839921554 626373889 /nfs/dbraw/zinc/37/38/89/626373889.db2.gz KZKKKULYBNUAAV-XHSDSOJGSA-N 0 0 320.477 3.027 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1CCC(C)(C)O1 ZINC000839922472 626377810 /nfs/dbraw/zinc/37/78/10/626377810.db2.gz VQPTVHLTNUNXSE-PBHICJAKSA-N 0 0 318.461 3.066 20 10 DGCDRN COCC(C)(C)CC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839922565 626378553 /nfs/dbraw/zinc/37/85/53/626378553.db2.gz VKYNFASVUDKVPA-HNNXBMFYSA-N 0 0 320.477 3.171 20 10 DGCDRN CO[C@@H](C)c1nsc(NCc2ccc3c(c2)CCCN3C)n1 ZINC000800848658 626379190 /nfs/dbraw/zinc/37/91/90/626379190.db2.gz WQLSTVFAOHRGCT-NSHDSACASA-N 0 0 318.446 3.240 20 10 DGCDRN COc1cnc2ccccc2c1C(=O)N(C)Cc1ccccc1O ZINC000801922920 626425652 /nfs/dbraw/zinc/42/56/52/626425652.db2.gz TXOIOMBFAVLPGO-UHFFFAOYSA-N 0 0 322.364 3.221 20 10 DGCDRN CO[C@@H](CN1CCOc2cc(N(C)C)ccc21)c1ccccc1 ZINC000801935179 626426470 /nfs/dbraw/zinc/42/64/70/626426470.db2.gz AEIAYIQVCAJKJN-IBGZPJMESA-N 0 0 312.413 3.339 20 10 DGCDRN Cc1cc(C(=O)CN2CCOCC23CC3)c(C)n1-c1ccccc1 ZINC000801981702 626428737 /nfs/dbraw/zinc/42/87/37/626428737.db2.gz ZWPLMRYVICYOKF-UHFFFAOYSA-N 0 0 324.424 3.142 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1cc(C)on1 ZINC000802029491 626429435 /nfs/dbraw/zinc/42/94/35/626429435.db2.gz MUUNSADUFDMINH-UHFFFAOYSA-N 0 0 317.389 3.201 20 10 DGCDRN Nc1ccc(Cc2nc(C(=O)OCCCCF)cs2)cc1 ZINC000803428415 626613947 /nfs/dbraw/zinc/61/39/47/626613947.db2.gz FIZMEJAPVSWWMT-UHFFFAOYSA-N 0 0 308.378 3.223 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@H]1c2ccccc2CC[C@@H]1F ZINC000883250117 626624496 /nfs/dbraw/zinc/62/44/96/626624496.db2.gz BKIQIDDMJABHKU-RDJZCZTQSA-N 0 0 314.360 3.217 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@H](C)Cc2ccccc2F)c1 ZINC000131479222 626641143 /nfs/dbraw/zinc/64/11/43/626641143.db2.gz USDYCVCMJBZPAE-GFCCVEGCSA-N 0 0 317.360 3.035 20 10 DGCDRN C[C@H](CC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccncc1 ZINC000131492888 626644764 /nfs/dbraw/zinc/64/47/64/626644764.db2.gz NPLQZUUTJBTEID-CYBMUJFWSA-N 0 0 315.392 3.097 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)[C@@H]1CCCOC1 ZINC000804288951 626666124 /nfs/dbraw/zinc/66/61/24/626666124.db2.gz JKXSYBNGEULDJO-CQSZACIVSA-N 0 0 318.442 3.407 20 10 DGCDRN CC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(N(C)C)cc1 ZINC000804331708 626670341 /nfs/dbraw/zinc/67/03/41/626670341.db2.gz RFQQCTUPYBXUFJ-UHFFFAOYSA-N 0 0 313.357 3.476 20 10 DGCDRN O=C(/C=C\c1cncc(O)c1)N1CCc2cc(Cl)ccc21 ZINC000804347060 626671704 /nfs/dbraw/zinc/67/17/04/626671704.db2.gz DGJWNYPFWAFBHC-RJRFIUFISA-N 0 0 300.745 3.043 20 10 DGCDRN Cc1ccc(O)c([C@@H](C)Nc2cccc3c2N(C)C(=O)CO3)c1 ZINC000883397579 626672509 /nfs/dbraw/zinc/67/25/09/626672509.db2.gz PZQNECWXIATGRL-GFCCVEGCSA-N 0 0 312.369 3.229 20 10 DGCDRN CC[C@@H](Nc1cccc2c1N(C)C(=O)CO2)c1ccccc1O ZINC000883397146 626672579 /nfs/dbraw/zinc/67/25/79/626672579.db2.gz FLGJEOYLZHOEPC-CYBMUJFWSA-N 0 0 312.369 3.311 20 10 DGCDRN CC[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1cccc(Cl)c1[O-] ZINC000806130349 626700606 /nfs/dbraw/zinc/70/06/06/626700606.db2.gz WDEVCWNFCRQYPH-GJZGRUSLSA-N 0 0 318.804 3.313 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cnn(C)n1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806167113 626703591 /nfs/dbraw/zinc/70/35/91/626703591.db2.gz KXTVNXIOVOHCAW-GFCCVEGCSA-N 0 0 315.204 3.068 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H](CO)c1cccnc1)c1cccc(Cl)c1[O-] ZINC000806178947 626704901 /nfs/dbraw/zinc/70/49/01/626704901.db2.gz MEMXDYBZDIQUKW-XJKSGUPXSA-N 0 0 320.820 3.257 20 10 DGCDRN CCOC1CC[NH+](Cc2cccc(Br)c2[O-])CC1 ZINC000132467211 626720122 /nfs/dbraw/zinc/72/01/22/626720122.db2.gz ZTLYLQMZZTURIW-UHFFFAOYSA-N 0 0 314.223 3.156 20 10 DGCDRN CCc1cc(NC(=O)NCCc2ccc(O)c(O)c2)ccc1F ZINC000806553164 626720252 /nfs/dbraw/zinc/72/02/52/626720252.db2.gz IUMBWAWEACVEIW-UHFFFAOYSA-N 0 0 318.348 3.164 20 10 DGCDRN CSc1cccc(NC(=O)NCc2ccc(N(C)C)cc2)n1 ZINC000806784464 626733882 /nfs/dbraw/zinc/73/38/82/626733882.db2.gz XBWOTMZCOFCBNN-UHFFFAOYSA-N 0 0 316.430 3.191 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cncs2)cc1 ZINC000807299086 626753155 /nfs/dbraw/zinc/75/31/55/626753155.db2.gz PKRUYHHVTQINBP-UHFFFAOYSA-N 0 0 303.431 3.262 20 10 DGCDRN CC[C@@H]1CCC[C@@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000132989576 626756826 /nfs/dbraw/zinc/75/68/26/626756826.db2.gz MCKDXLWCCSJZPO-WBVHZDCISA-N 0 0 303.450 3.473 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CSC[C@@H]1C ZINC000807477247 626758278 /nfs/dbraw/zinc/75/82/78/626758278.db2.gz MDIZMVSPNMKEFD-DZGCQCFKSA-N 0 0 322.474 3.455 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CSC[C@@H]1C ZINC000807477749 626758423 /nfs/dbraw/zinc/75/84/23/626758423.db2.gz XLCVZJNLUPGWBT-GXTWGEPZSA-N 0 0 308.447 3.065 20 10 DGCDRN COc1cc(CN2CC(C)(C)[C@@H]2c2nccn2C)c(O)cc1C ZINC000840111818 626766436 /nfs/dbraw/zinc/76/64/36/626766436.db2.gz ZKELPXYMZOGHKF-INIZCTEOSA-N 0 0 315.417 3.026 20 10 DGCDRN C[C@H](CCOCc1ccccc1)NC(=O)C1=CC(=O)CS1 ZINC000807875561 626774131 /nfs/dbraw/zinc/77/41/31/626774131.db2.gz MQNLPLJRQXOBID-GFCCVEGCSA-N 0 0 305.399 3.179 20 10 DGCDRN CC(=O)C(=O)COc1ccc2cc(Br)ccc2c1 ZINC000808012550 626787200 /nfs/dbraw/zinc/78/72/00/626787200.db2.gz NRTNHPHPXPBMIQ-UHFFFAOYSA-N 0 0 307.143 3.139 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(OCC)cc1 ZINC000808095226 626792433 /nfs/dbraw/zinc/79/24/33/626792433.db2.gz AEGCVQPGTMPDEM-UHFFFAOYSA-N 0 0 320.385 3.207 20 10 DGCDRN CCOCC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000800050277 626798749 /nfs/dbraw/zinc/79/87/49/626798749.db2.gz RLSXVPYDEBXKJT-CYBMUJFWSA-N 0 0 324.852 3.229 20 10 DGCDRN CCc1cc(CN(C)Cc2nncn2C)c(O)c(C(C)(C)C)c1 ZINC000808214746 626806117 /nfs/dbraw/zinc/80/61/17/626806117.db2.gz SXTDQURGGUCQJP-UHFFFAOYSA-N 0 0 316.449 3.013 20 10 DGCDRN C[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)[C@@H](O)c1ccccc1 ZINC000808444723 626825750 /nfs/dbraw/zinc/82/57/50/626825750.db2.gz JUOSUVGWJJIVJB-MGPLVRAMSA-N 0 0 309.768 3.396 20 10 DGCDRN Cc1cc(CCNC(=O)C(C)(F)F)c(C)n1-c1ccccc1 ZINC000808454113 626826951 /nfs/dbraw/zinc/82/69/51/626826951.db2.gz WKUQPMGBTTUSJW-UHFFFAOYSA-N 0 0 306.356 3.408 20 10 DGCDRN CC(=O)C(=O)COC(=O)c1cc(C)ccc1SC1CCCC1 ZINC000808534025 626837324 /nfs/dbraw/zinc/83/73/24/626837324.db2.gz DXSFOXFJPSJOCZ-UHFFFAOYSA-N 0 0 320.410 3.345 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N(C)CCCF)cc1F ZINC000884137592 626839655 /nfs/dbraw/zinc/83/96/55/626839655.db2.gz QNAZZVWYERGRFW-UHFFFAOYSA-N 0 0 313.392 3.173 20 10 DGCDRN Oc1cccc2c1CN(c1cc(Cl)nc([C@@H]3CCCO3)n1)C2 ZINC000884572648 626906773 /nfs/dbraw/zinc/90/67/73/626906773.db2.gz SDVJWYAQYHZXJP-ZDUSSCGKSA-N 0 0 317.776 3.207 20 10 DGCDRN C[C@H](CO)[N@@H+](Cc1c([O-])ccc(Cl)c1F)CC1CCC1 ZINC000809665589 626934746 /nfs/dbraw/zinc/93/47/46/626934746.db2.gz WRVGKTLCKDQLMO-SNVBAGLBSA-N 0 0 301.789 3.168 20 10 DGCDRN C[C@H]1CO[C@H](C(F)(F)F)CN1Cc1ccc(N(C)C)c(F)c1 ZINC000809697289 626938028 /nfs/dbraw/zinc/93/80/28/626938028.db2.gz ZCXLJHQXNGIZCD-HZMBPMFUSA-N 0 0 320.330 3.043 20 10 DGCDRN CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4c([O-])ccc(Cl)c4F)[C@H]1[C@H]3C2 ZINC000809696981 626938075 /nfs/dbraw/zinc/93/80/75/626938075.db2.gz BDTDPWLFGRLDII-YVYBEKNCSA-N 0 0 311.784 3.040 20 10 DGCDRN C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1c([O-])ccc(Cl)c1F ZINC000809724115 626942065 /nfs/dbraw/zinc/94/20/65/626942065.db2.gz DYZXHTPPQUKPCV-RISCZKNCSA-N 0 0 312.816 3.243 20 10 DGCDRN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@H](O)C(F)(F)F ZINC000809751598 626946766 /nfs/dbraw/zinc/94/67/66/626946766.db2.gz SXPXACXHEDYDIC-VIFPVBQESA-N 0 0 318.122 3.054 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1COc2ccc(F)cc2C1 ZINC000809791964 626954389 /nfs/dbraw/zinc/95/43/89/626954389.db2.gz CWJXDLMMLBOAGL-CYBMUJFWSA-N 0 0 307.752 3.278 20 10 DGCDRN C[S@](=O)c1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000809793580 626955090 /nfs/dbraw/zinc/95/50/90/626955090.db2.gz HIAPGQHWHMBUGO-FQEVSTJZSA-N 0 0 309.818 3.073 20 10 DGCDRN Cc1ccccc1-c1nnc(N(C)Cc2ccccc2O)n1C ZINC000809844984 626956525 /nfs/dbraw/zinc/95/65/25/626956525.db2.gz ZKMJTDYZHCHLBR-UHFFFAOYSA-N 0 0 308.385 3.133 20 10 DGCDRN COc1ccc(N2CCN(C(=O)C3(F)CCCCC3)CC2)cc1 ZINC000809940127 626961427 /nfs/dbraw/zinc/96/14/27/626961427.db2.gz DHMQRLHWUWFILC-UHFFFAOYSA-N 0 0 320.408 3.016 20 10 DGCDRN COc1ccc(N(Cc2cnn(C)n2)Cc2ccccc2)cc1 ZINC000809955050 626962466 /nfs/dbraw/zinc/96/24/66/626962466.db2.gz AMKKHQOSWWRDNL-UHFFFAOYSA-N 0 0 308.385 3.031 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Cc2cccc(Cl)c2F)cc1 ZINC000809968307 626963664 /nfs/dbraw/zinc/96/36/64/626963664.db2.gz AIWMPNQOUGOXNJ-UHFFFAOYSA-N 0 0 320.795 3.404 20 10 DGCDRN CCc1c(C(=O)NCc2ccc(N(CC)CC)cc2)ccn1C ZINC000810165121 626982916 /nfs/dbraw/zinc/98/29/16/626982916.db2.gz KUFPGOUYSQZYGH-UHFFFAOYSA-N 0 0 313.445 3.364 20 10 DGCDRN COc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1C ZINC000810210683 626988217 /nfs/dbraw/zinc/98/82/17/626988217.db2.gz BGHJMVJYBRHZDY-RVDMUPIBSA-N 0 0 316.426 3.460 20 10 DGCDRN CCCCN(C)C[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000810245212 626991581 /nfs/dbraw/zinc/99/15/81/626991581.db2.gz UVGCPXRGMUKAOK-OLZOCXBDSA-N 0 0 309.410 3.071 20 10 DGCDRN CC[C@@H]([NH2+]Cc1ccc(OC)nc1OC)c1ccc(F)cc1[O-] ZINC000810260526 626994708 /nfs/dbraw/zinc/99/47/08/626994708.db2.gz LGIFSROCSYMRIP-CQSZACIVSA-N 0 0 320.364 3.184 20 10 DGCDRN CCCN(CC)C[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000810263507 626994744 /nfs/dbraw/zinc/99/47/44/626994744.db2.gz OJCSKVUDFYVQDN-RYUDHWBXSA-N 0 0 300.393 3.441 20 10 DGCDRN CCCN(CC)C[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000810263755 626995527 /nfs/dbraw/zinc/99/55/27/626995527.db2.gz SDVBBDYUYGXFQD-STQMWFEESA-N 0 0 309.410 3.071 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+]CC[C@H]2CCCO2)c1 ZINC000886314430 627135898 /nfs/dbraw/zinc/13/58/98/627135898.db2.gz XXYLVQBQJZANLO-GFCCVEGCSA-N 0 0 314.223 3.122 20 10 DGCDRN C[C@]1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CCOC2(CCC2)C1 ZINC000886341497 627140535 /nfs/dbraw/zinc/14/05/35/627140535.db2.gz WBCZTJGWWWQACE-INIZCTEOSA-N 0 0 311.372 3.499 20 10 DGCDRN COC1CCN(C(C)(C)C[NH2+][C@H](C)c2c([O-])cccc2F)CC1 ZINC000886524823 627156475 /nfs/dbraw/zinc/15/64/75/627156475.db2.gz RRTUDXZELARYOO-CYBMUJFWSA-N 0 0 324.440 3.071 20 10 DGCDRN CC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2c([O-])cccc2F)cc1 ZINC000886522433 627156586 /nfs/dbraw/zinc/15/65/86/627156586.db2.gz JCTWCCISTTXHSY-LBPRGKRZSA-N 0 0 316.376 3.383 20 10 DGCDRN C[C@@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1c([O-])cccc1F ZINC000886556939 627163005 /nfs/dbraw/zinc/16/30/05/627163005.db2.gz NOHHCYSUANTGTP-PIGZYNQJSA-N 0 0 307.340 3.229 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)c1c([O-])cccc1F ZINC000886620656 627175045 /nfs/dbraw/zinc/17/50/45/627175045.db2.gz PKNPLCZCSSEJRI-PBFPGSCMSA-N 0 0 316.376 3.497 20 10 DGCDRN C[C@H](Nc1ccc(COCCO)cc1)c1c(O)cccc1F ZINC000886629293 627176390 /nfs/dbraw/zinc/17/63/90/627176390.db2.gz AHPVYHFQIKLSOG-LBPRGKRZSA-N 0 0 305.349 3.213 20 10 DGCDRN C[C@H](O)[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1ccccc1F ZINC000886631618 627177128 /nfs/dbraw/zinc/17/71/28/627177128.db2.gz RHQGGIYCUAVXMW-DINDLPBHSA-N 0 0 307.340 3.443 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1c2ccccc2CN1C)c1c([O-])cccc1F ZINC000886648200 627180015 /nfs/dbraw/zinc/18/00/15/627180015.db2.gz NPLDNLOBUDAZLN-LRDDRELGSA-N 0 0 300.377 3.369 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1c([O-])cccc1F ZINC000886649563 627180618 /nfs/dbraw/zinc/18/06/18/627180618.db2.gz DGLLMXJUWKJAGF-ZIAGYGMSSA-N 0 0 323.408 3.158 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H](O)Cc1ccccc1F)c1ccc(F)cc1[O-] ZINC000886674510 627186827 /nfs/dbraw/zinc/18/68/27/627186827.db2.gz MVCHDPFMDOFUMG-RHSMWYFYSA-N 0 0 321.367 3.315 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1ccc(F)cc1[O-] ZINC000886767048 627202513 /nfs/dbraw/zinc/20/25/13/627202513.db2.gz YMIKYUOEKFHRAK-BSXOQXRQSA-N 0 0 323.408 3.299 20 10 DGCDRN C[C@H](N[C@@H](CCO)C(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000886801622 627205947 /nfs/dbraw/zinc/20/59/47/627205947.db2.gz PXAIGEHCZBYTBS-BONVTDFDSA-N 0 0 317.351 3.235 20 10 DGCDRN Oc1ccc(Cl)cc1CN1CC(O)(c2ccc(Cl)cc2)C1 ZINC000811509521 627284395 /nfs/dbraw/zinc/28/43/95/627284395.db2.gz STMQEGASCNFRKE-UHFFFAOYSA-N 0 0 324.207 3.402 20 10 DGCDRN COc1c([O-])c(C[NH+]2CCC(C)(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000811515305 627286389 /nfs/dbraw/zinc/28/63/89/627286389.db2.gz XTWQCXJDDICZBS-UHFFFAOYSA-N 0 0 320.389 3.321 20 10 DGCDRN CCCN(CC)C[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000811520465 627287129 /nfs/dbraw/zinc/28/71/29/627287129.db2.gz PGRDDOXRMBDYPS-NSHDSACASA-N 0 0 302.821 3.395 20 10 DGCDRN CC[C@@]1(CNC(=O)C2=CC(=O)CS2)OCCc2ccccc21 ZINC000811588669 627292717 /nfs/dbraw/zinc/29/27/17/627292717.db2.gz AVWVOEBACTZZBU-KRWDZBQOSA-N 0 0 317.410 3.062 20 10 DGCDRN CO[C@@H]1CC[N@H+](Cc2cccc(Br)c2[O-])[C@@H](C)C1 ZINC000302276893 627317167 /nfs/dbraw/zinc/31/71/67/627317167.db2.gz BJDPUBUFIHERKU-CMPLNLGQSA-N 0 0 314.223 3.154 20 10 DGCDRN Oc1ccc2c(c1CNc1nccc(N3CCCC3)n1)CCCC2 ZINC000811808672 627323656 /nfs/dbraw/zinc/32/36/56/627323656.db2.gz NXTRMBQGDTWOOA-UHFFFAOYSA-N 0 0 324.428 3.273 20 10 DGCDRN CCc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)no1 ZINC000887986183 627353741 /nfs/dbraw/zinc/35/37/41/627353741.db2.gz QGQJTHPZDPJNJL-UHFFFAOYSA-N 0 0 315.417 3.354 20 10 DGCDRN CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1CC(C)C ZINC000812235570 627362611 /nfs/dbraw/zinc/36/26/11/627362611.db2.gz XLKOTTCGQHZXGX-UHFFFAOYSA-N 0 0 316.449 3.475 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C)[C@@H](C)COC)cc1 ZINC000812453772 627388326 /nfs/dbraw/zinc/38/83/26/627388326.db2.gz TUQZDKCBLNKIEX-HOTGVXAUSA-N 0 0 320.477 3.410 20 10 DGCDRN COC[C@H](C)[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000812461124 627389288 /nfs/dbraw/zinc/38/92/88/627389288.db2.gz HQNCZOABJGSDDG-GJZGRUSLSA-N 0 0 318.461 3.162 20 10 DGCDRN Cc1cc(N[C@@H](C)Cc2ccc(O)c(O)c2)c(F)cc1[N+](=O)[O-] ZINC000812463056 627389385 /nfs/dbraw/zinc/38/93/85/627389385.db2.gz BWLPMVCDELBDEH-JTQLQIEISA-N 0 0 320.320 3.497 20 10 DGCDRN COC[C@H](C)[C@@H](C)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000812486288 627391349 /nfs/dbraw/zinc/39/13/49/627391349.db2.gz IZBWEAGBTHORQE-JKSUJKDBSA-N 0 0 318.461 3.212 20 10 DGCDRN Cc1cc(C(=O)Nc2cn(C)nn2)c(C)n1-c1cc(C)cc(C)c1 ZINC000812704905 627412516 /nfs/dbraw/zinc/41/25/16/627412516.db2.gz NLSRZSKGIIGETP-UHFFFAOYSA-N 0 0 323.400 3.092 20 10 DGCDRN CCN(C(=O)c1ccc(-n2c(C)ccc2C)cc1)[C@H]1CCOC1 ZINC000812725503 627413688 /nfs/dbraw/zinc/41/36/88/627413688.db2.gz BVYVCXPVTVFJJH-SFHVURJKSA-N 0 0 312.413 3.345 20 10 DGCDRN Cn1cnc(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)n1 ZINC000812824110 627425754 /nfs/dbraw/zinc/42/57/54/627425754.db2.gz SJNLUGOSKWFMGC-UHFFFAOYSA-N 0 0 306.329 3.483 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2nn(C(C)C)cc2Cl)c1 ZINC000889565436 627439110 /nfs/dbraw/zinc/43/91/10/627439110.db2.gz IWFBEXLFOBACHW-UHFFFAOYSA-N 0 0 322.796 3.453 20 10 DGCDRN O=C(N[C@@H]1C[C@@H]2CCC[C@H]12)c1cc2cc(O)c(O)cc2s1 ZINC000889619318 627447503 /nfs/dbraw/zinc/44/75/03/627447503.db2.gz XLUIUBZCUNTUPG-INTQDDNPSA-N 0 0 303.383 3.231 20 10 DGCDRN C[C@H](NC(=O)C[C@@H]1CCC2(CCC2)O1)c1ccc(N(C)C)cc1 ZINC000890030508 627495438 /nfs/dbraw/zinc/49/54/38/627495438.db2.gz FPVREPFJURGDAH-YOEHRIQHSA-N 0 0 316.445 3.422 20 10 DGCDRN CNC(=O)Oc1cccc(NCc2ccc(N(C)C)c(F)c2)c1 ZINC000813791308 627512275 /nfs/dbraw/zinc/51/22/75/627512275.db2.gz FTTFHGALJDCTTN-UHFFFAOYSA-N 0 0 317.364 3.222 20 10 DGCDRN CC[C@@H](C)CONC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000813827120 627513590 /nfs/dbraw/zinc/51/35/90/627513590.db2.gz SSILEIRUJLLQRH-CQSZACIVSA-N 0 0 307.438 3.262 20 10 DGCDRN CC[C@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000813883301 627518703 /nfs/dbraw/zinc/51/87/03/627518703.db2.gz CCIPYUOIGDMHHN-CBAPKCEASA-N 0 0 322.630 3.230 20 10 DGCDRN COCC(C)(C)COC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000813996490 627528070 /nfs/dbraw/zinc/52/80/70/627528070.db2.gz SFZLGUXDVOVIRH-UHFFFAOYSA-N 0 0 316.401 3.319 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CC3(CCC3)[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000814171267 627545946 /nfs/dbraw/zinc/54/59/46/627545946.db2.gz MWGGAGYSYZXMRU-INIZCTEOSA-N 0 0 320.389 3.320 20 10 DGCDRN C[C@H](Nc1ncnc2c1ncn2C1CC1)c1ccc(N(C)C)cc1 ZINC000814259614 627555527 /nfs/dbraw/zinc/55/55/27/627555527.db2.gz UVMILGFVWDJJCR-LBPRGKRZSA-N 0 0 322.416 3.400 20 10 DGCDRN CCOC(=O)c1csc(CN(C)c2ccc(OC)c(F)c2)n1 ZINC000814627335 627580250 /nfs/dbraw/zinc/58/02/50/627580250.db2.gz WSUBXDCFUHLXIL-UHFFFAOYSA-N 0 0 324.377 3.104 20 10 DGCDRN CCN(C[C@H](O)Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000815066437 627622147 /nfs/dbraw/zinc/62/21/47/627622147.db2.gz PAJYZTLHFUHJFQ-QGZVFWFLSA-N 0 0 303.377 3.264 20 10 DGCDRN C[C@H]([NH2+]C[C@]1(C)CCOC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815579181 627686979 /nfs/dbraw/zinc/68/69/79/627686979.db2.gz HCSCNZDWIYHQAK-HZMBPMFUSA-N 0 0 303.324 3.488 20 10 DGCDRN Cc1nc2c(o1)CCC[C@@H]2NCc1ccc(N(C)C)c(F)c1 ZINC000924861528 627688425 /nfs/dbraw/zinc/68/84/25/627688425.db2.gz KLAZQHVISISKHG-AWEZNQCLSA-N 0 0 303.381 3.355 20 10 DGCDRN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1cn2c(n1)CCCC2 ZINC000924863466 627688630 /nfs/dbraw/zinc/68/86/30/627688630.db2.gz YATSZWRFRFWPFK-ZDUSSCGKSA-N 0 0 316.424 3.275 20 10 DGCDRN COCC1(CC[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])CCC1 ZINC000815642090 627694107 /nfs/dbraw/zinc/69/41/07/627694107.db2.gz RJUDMKQRZMPFLU-CYBMUJFWSA-N 0 0 321.417 3.036 20 10 DGCDRN CCOC1(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])CCCC1 ZINC000815644825 627694308 /nfs/dbraw/zinc/69/43/08/627694308.db2.gz NBFQFPFNBGDIST-CYBMUJFWSA-N 0 0 321.417 3.179 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@H](OC)C1 ZINC000815797296 627704608 /nfs/dbraw/zinc/70/46/08/627704608.db2.gz KJJFUFHNCHCZQW-ZBFHGGJFSA-N 0 0 305.418 3.336 20 10 DGCDRN COc1cccc(CNC(=O)c2cc(F)ccc2Cl)c1O ZINC000815834386 627707193 /nfs/dbraw/zinc/70/71/93/627707193.db2.gz GXSOSSQSTCCVBS-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H](c2ccccn2)C2CC2)c1 ZINC000925570893 627756761 /nfs/dbraw/zinc/75/67/61/627756761.db2.gz YSLTVBJBLSALHG-KRWDZBQOSA-N 0 0 311.385 3.046 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H](c2ccccn2)C2CC2)c1 ZINC000925570894 627756981 /nfs/dbraw/zinc/75/69/81/627756981.db2.gz YSLTVBJBLSALHG-QGZVFWFLSA-N 0 0 311.385 3.046 20 10 DGCDRN CC[NH+](CC)[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816483785 627796008 /nfs/dbraw/zinc/79/60/08/627796008.db2.gz DVJPXBRCQIVBPV-LBPRGKRZSA-N 0 0 300.805 3.101 20 10 DGCDRN CN(CC(=O)OC(C)(C)C)Cc1ccc2ccccc2c1O ZINC000816499186 627797495 /nfs/dbraw/zinc/79/74/95/627797495.db2.gz IIVRHOWAJIWLPK-UHFFFAOYSA-N 0 0 301.386 3.319 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000816501756 627797584 /nfs/dbraw/zinc/79/75/84/627797584.db2.gz AAHLOPYOIDSXCR-GFCCVEGCSA-N 0 0 309.772 3.218 20 10 DGCDRN CC(C)OC(=O)[C@H](C)N(C)Cc1ccc2ccccc2c1O ZINC000816516933 627800189 /nfs/dbraw/zinc/80/01/89/627800189.db2.gz XKXMDUBAXGZVIW-ZDUSSCGKSA-N 0 0 301.386 3.317 20 10 DGCDRN COc1ccc(NCc2cc(Cl)c(F)cc2O)cc1CO ZINC000816525929 627802366 /nfs/dbraw/zinc/80/23/66/627802366.db2.gz NRCKPKDGHZBCQT-UHFFFAOYSA-N 0 0 311.740 3.298 20 10 DGCDRN C[C@H]1CCCN(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816535287 627803066 /nfs/dbraw/zinc/80/30/66/627803066.db2.gz LFAPKPUABAOOMK-NSHDSACASA-N 0 0 300.805 3.006 20 10 DGCDRN CCn1nc(C)c(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])c1C ZINC000816546015 627805051 /nfs/dbraw/zinc/80/50/51/627805051.db2.gz RPWZEVMBROUEIS-UHFFFAOYSA-N 0 0 311.788 3.308 20 10 DGCDRN CCc1nc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cs1 ZINC000816547440 627805202 /nfs/dbraw/zinc/80/52/02/627805202.db2.gz WJOWTQCLBCGLFE-UHFFFAOYSA-N 0 0 300.786 3.493 20 10 DGCDRN COc1ccc(O)c(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])c1 ZINC000816550454 627806043 /nfs/dbraw/zinc/80/60/43/627806043.db2.gz RMZSHDGBSSLSOO-UHFFFAOYSA-N 0 0 311.740 3.189 20 10 DGCDRN Cc1ccccc1[C@@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816555911 627807296 /nfs/dbraw/zinc/80/72/96/627807296.db2.gz UANMBPZRSRJQBU-OAHLLOKOSA-N 0 0 309.768 3.316 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1cnn(CC(F)F)c1 ZINC000816565088 627808527 /nfs/dbraw/zinc/80/85/27/627808527.db2.gz AYRXEMVUZHJMAL-UHFFFAOYSA-N 0 0 307.344 3.110 20 10 DGCDRN COC(=O)C1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCCC1 ZINC000816567523 627808973 /nfs/dbraw/zinc/80/89/73/627808973.db2.gz DBVFNBSDJGNTFW-UHFFFAOYSA-N 0 0 315.772 3.008 20 10 DGCDRN O=C1COc2cc(NCc3cc(Cl)c(F)cc3O)ccc2N1 ZINC000816568670 627809064 /nfs/dbraw/zinc/80/90/64/627809064.db2.gz NEQIPNFRSCHXHK-UHFFFAOYSA-N 0 0 322.723 3.128 20 10 DGCDRN C[C@@]1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCO[C@@H]1C1CC1 ZINC000816570772 627809992 /nfs/dbraw/zinc/80/99/92/627809992.db2.gz HDYWWVKFYIQLJU-CVEARBPZSA-N 0 0 313.800 3.480 20 10 DGCDRN O=C(NCc1c(O)cccc1F)Nc1cnn(C2CCCC2)c1 ZINC000925880981 627811105 /nfs/dbraw/zinc/81/11/05/627811105.db2.gz OXVODAAARRDRMB-UHFFFAOYSA-N 0 0 318.352 3.165 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000816591748 627812373 /nfs/dbraw/zinc/81/23/73/627812373.db2.gz MXGSBJWFDAWWPH-LLVKDONJSA-N 0 0 307.752 3.147 20 10 DGCDRN Oc1c(CN2C[C@H](O)Cc3ccccc32)ccc2ccccc21 ZINC000816593881 627812807 /nfs/dbraw/zinc/81/28/07/627812807.db2.gz HNYNAUCXEWMGAK-QGZVFWFLSA-N 0 0 305.377 3.469 20 10 DGCDRN CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4cc(Cl)c(F)cc4[O-])[C@H]1[C@H]3C2 ZINC000816608397 627814065 /nfs/dbraw/zinc/81/40/65/627814065.db2.gz YNLJMRAVXWAFQH-KIOOUHFPSA-N 0 0 311.784 3.040 20 10 DGCDRN CC(C)[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C1(CO)CCC1 ZINC000816616893 627815654 /nfs/dbraw/zinc/81/56/54/627815654.db2.gz IUNUZRUEAAJYBI-OAHLLOKOSA-N 0 0 315.816 3.462 20 10 DGCDRN CC1(C)CCC[C@@]1(O)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816641099 627817900 /nfs/dbraw/zinc/81/79/00/627817900.db2.gz IMZMWEXOQLPSCM-OAHLLOKOSA-N 0 0 301.789 3.216 20 10 DGCDRN CC(C)[C@@]1(CO)CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000816662740 627821722 /nfs/dbraw/zinc/82/17/22/627821722.db2.gz XCQWGBDHOKZWLE-INIZCTEOSA-N 0 0 315.816 3.415 20 10 DGCDRN CC(C)[C@H]1C[N@H+](Cc2cc(Cl)c(F)cc2[O-])CCCO1 ZINC000816676281 627823232 /nfs/dbraw/zinc/82/32/32/627823232.db2.gz WWAQJFXMYMIRLS-OAHLLOKOSA-N 0 0 301.789 3.432 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)c2ncc[nH]2)cc1 ZINC000816719427 627826194 /nfs/dbraw/zinc/82/61/94/627826194.db2.gz ZNMUWTALGOWXFU-CQSZACIVSA-N 0 0 308.385 3.308 20 10 DGCDRN Cc1cc(C(=O)NC2(CCO)CC2)c(C)n1-c1ccccc1C ZINC000816745726 627827727 /nfs/dbraw/zinc/82/77/27/627827727.db2.gz CMLMHYJINQNPLG-UHFFFAOYSA-N 0 0 312.413 3.047 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2c(C)[nH][nH]c2=O)cc1 ZINC000816740780 627827997 /nfs/dbraw/zinc/82/79/97/627827997.db2.gz NNKWZNXYNNEDBU-UHFFFAOYSA-N 0 0 310.357 3.084 20 10 DGCDRN Cc1cccc(CN(C)C(=O)/C=C/c2ccc(O)c(O)c2)c1C ZINC000816788738 627830328 /nfs/dbraw/zinc/83/03/28/627830328.db2.gz TWBAFHZHTJPIMX-CSKARUKUSA-N 0 0 311.381 3.386 20 10 DGCDRN O=C(NCc1ccccc1O)c1cc(O)cc(C(F)(F)F)c1 ZINC000816912211 627839630 /nfs/dbraw/zinc/83/96/30/627839630.db2.gz OIOCZKILXGUDLH-UHFFFAOYSA-N 0 0 311.259 3.047 20 10 DGCDRN Nc1ccc(NC(=O)N2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000926145202 627850975 /nfs/dbraw/zinc/85/09/75/627850975.db2.gz VICDGWQCTMFNOL-LBPRGKRZSA-N 0 0 317.286 3.167 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)OC3CCOCC3)cc12 ZINC000817151961 627859709 /nfs/dbraw/zinc/85/97/09/627859709.db2.gz IIFCZINSGGVKFQ-UHFFFAOYSA-N 0 0 303.358 3.490 20 10 DGCDRN Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)c(O)c1O ZINC000817223567 627866885 /nfs/dbraw/zinc/86/68/85/627866885.db2.gz WDTJLTXGTFGOSD-MQMHXKEQSA-N 0 0 315.344 3.221 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1nn(C)c(C)c1Cl ZINC000817409865 627895040 /nfs/dbraw/zinc/89/50/40/627895040.db2.gz GFPZJXGVEWFQLH-UHFFFAOYSA-N 0 0 305.809 3.343 20 10 DGCDRN CCCN1C[C@H](C[NH2+][C@@H](CC)c2cccc(Cl)c2[O-])CC1=O ZINC000817588999 627927318 /nfs/dbraw/zinc/92/73/18/627927318.db2.gz KQIBZEQHIDCJEZ-WFASDCNBSA-N 0 0 324.852 3.345 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@H]3C[C@H]4CC(=O)[C@@H]3C4)cc12 ZINC000817762002 627947063 /nfs/dbraw/zinc/94/70/63/627947063.db2.gz NVPUKBRHWKPCEJ-MAZHCROVSA-N 0 0 311.381 3.316 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)CCc3ccn(C)n3)cc12 ZINC000817762940 627947229 /nfs/dbraw/zinc/94/72/29/627947229.db2.gz XVMJWQDXZFCJIS-UHFFFAOYSA-N 0 0 311.385 3.067 20 10 DGCDRN O=C(c1c(F)ccc(O)c1O)N1CCC[C@H](CC(F)(F)F)C1 ZINC000817766747 627947699 /nfs/dbraw/zinc/94/76/99/627947699.db2.gz PAHVYSLASLJRRT-MRVPVSSYSA-N 0 0 321.270 3.042 20 10 DGCDRN CCN(CCOc1ccccc1C)C(=O)C1=CC(=O)CS1 ZINC000817769844 627948403 /nfs/dbraw/zinc/94/84/03/627948403.db2.gz VYMJXMGNGYXGIO-UHFFFAOYSA-N 0 0 305.399 3.303 20 10 DGCDRN CCN(CC)c1ccc(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1 ZINC000817881737 627952388 /nfs/dbraw/zinc/95/23/88/627952388.db2.gz NWQJVHQESOYSDF-GOEBONIOSA-N 0 0 304.434 3.075 20 10 DGCDRN CC[NH2+]CCN[C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817951576 627972211 /nfs/dbraw/zinc/97/22/11/627972211.db2.gz GTNFUYXCBYRQQL-MRVPVSSYSA-N 0 0 321.646 3.068 20 10 DGCDRN C[C@@H]1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)[C@H]1C ZINC000817959594 627974713 /nfs/dbraw/zinc/97/47/13/627974713.db2.gz HIVTZTMJCXOTLE-NEPJUHHUSA-N 0 0 315.442 3.187 20 10 DGCDRN CC[C@H]1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000817960528 627975749 /nfs/dbraw/zinc/97/57/49/627975749.db2.gz MOELIKOVYZQJSG-LBPRGKRZSA-N 0 0 315.442 3.188 20 10 DGCDRN CC(C)C[C@@H](CN)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817959889 627975775 /nfs/dbraw/zinc/97/57/75/627975775.db2.gz WHVKONDROZCXQH-MNOVXSKESA-N 0 0 304.356 3.435 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817976357 627980782 /nfs/dbraw/zinc/98/07/82/627980782.db2.gz KOXWFRUSXMMIMK-KWBADKCTSA-N 0 0 321.223 3.440 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1NCCc2ccccc21)c1ccc(F)cc1[O-] ZINC000817975867 627980788 /nfs/dbraw/zinc/98/07/88/627980788.db2.gz YZGWWVNJTBGFNT-YVEFUNNKSA-N 0 0 300.377 3.069 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2C[C@@]2(F)c2ccccc2)c1 ZINC000818230261 628007353 /nfs/dbraw/zinc/00/73/53/628007353.db2.gz OXLKQMOHEOUWOH-JKSUJKDBSA-N 0 0 302.305 3.027 20 10 DGCDRN C[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCOC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927069854 628007738 /nfs/dbraw/zinc/00/77/38/628007738.db2.gz NKURMANKSVEVRQ-PLQHRBFRSA-N 0 0 320.389 3.156 20 10 DGCDRN C[C@H]([NH2+]Cc1cccc2c1OCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927091729 628012936 /nfs/dbraw/zinc/01/29/36/628012936.db2.gz RSEPEBACYQUEGV-NSHDSACASA-N 0 0 314.341 3.086 20 10 DGCDRN Cn1c(-c2ccccc2)cnc1SC[C@@H]1CCCN(C)C1=O ZINC000818382386 628019748 /nfs/dbraw/zinc/01/97/48/628019748.db2.gz RYXUQVHNRYQBMD-AWEZNQCLSA-N 0 0 315.442 3.048 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000840360069 628023668 /nfs/dbraw/zinc/02/36/68/628023668.db2.gz LJQAUUNSUXHGNV-RUGDWHBFSA-N 0 0 315.461 3.090 20 10 DGCDRN CC[C@@H](C(=O)NCCc1ccc(N)cc1)c1ccc(F)cc1 ZINC000818544831 628033479 /nfs/dbraw/zinc/03/34/79/628033479.db2.gz RHHIDIYOCQYVBG-QGZVFWFLSA-N 0 0 300.377 3.260 20 10 DGCDRN C[C@H](Cc1ccccc1Cl)C(=O)NCCc1ccc(N)cc1 ZINC000818544763 628033493 /nfs/dbraw/zinc/03/34/93/628033493.db2.gz MUWJUDKRUKOLIN-CYBMUJFWSA-N 0 0 316.832 3.460 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCS[C@@H](C)C2)c1 ZINC000927249159 628038828 /nfs/dbraw/zinc/03/88/28/628038828.db2.gz WRGILKKVGOBLGU-SDDRHHMPSA-N 0 0 324.446 3.045 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NCC[C@@H]2CC[C@@H]3C[C@@H]32)cc1 ZINC000927475569 628071531 /nfs/dbraw/zinc/07/15/31/628071531.db2.gz BZHJSQPBEMVNEA-ZKYQVNSYSA-N 0 0 300.362 3.015 20 10 DGCDRN O=C([O-])[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000819161606 628103479 /nfs/dbraw/zinc/10/34/79/628103479.db2.gz IZFPWCUOMNULDC-CVEARBPZSA-N 0 0 302.418 3.020 20 10 DGCDRN CCOCc1cc(C[NH2+][C@H](C)[C@H](C(=O)[O-])C(C)C)ccc1OC ZINC000819163508 628103600 /nfs/dbraw/zinc/10/36/00/628103600.db2.gz KINYDQJXTNPAPB-CXAGYDPISA-N 0 0 323.433 3.067 20 10 DGCDRN CCCOc1ccccc1NC[C@@H](O)COc1ccccc1 ZINC000819397659 628147537 /nfs/dbraw/zinc/14/75/37/628147537.db2.gz GUGMQWBHQQMINP-OAHLLOKOSA-N 0 0 301.386 3.327 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1nnc(C2CC2)o1 ZINC000840383903 628153041 /nfs/dbraw/zinc/15/30/41/628153041.db2.gz AXZFVRDVGYORMY-GFCCVEGCSA-N 0 0 300.406 3.365 20 10 DGCDRN COCCOc1ccccc1NC[C@H](O)CCc1ccccc1 ZINC000819427820 628153124 /nfs/dbraw/zinc/15/31/24/628153124.db2.gz WMRMJVOUEWKDNB-QGZVFWFLSA-N 0 0 315.413 3.117 20 10 DGCDRN CCC(=CC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1)CC ZINC000819584639 628171436 /nfs/dbraw/zinc/17/14/36/628171436.db2.gz NVFMZCRDMIHWIH-INIZCTEOSA-N 0 0 316.445 3.384 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNC(=O)CCC(C)C)C2)cc1 ZINC000819580667 628171523 /nfs/dbraw/zinc/17/15/23/628171523.db2.gz MVNDEQGOIRFSLZ-HNNXBMFYSA-N 0 0 304.434 3.074 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNC(=O)C3(C)CCCC3)C2)cc1 ZINC000819581863 628171540 /nfs/dbraw/zinc/17/15/40/628171540.db2.gz FFBSRHROLRFAJH-HNNXBMFYSA-N 0 0 316.445 3.218 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CC[C@@H](C)C3)C2)cc1 ZINC000819585850 628171604 /nfs/dbraw/zinc/17/16/04/628171604.db2.gz IPMFNZRLGCMWQN-OAGGEKHMSA-N 0 0 316.445 3.074 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNC(=O)CCCC3CC3)C2)cc1 ZINC000819591915 628172373 /nfs/dbraw/zinc/17/23/73/628172373.db2.gz XTLUGIFCKBZWRR-INIZCTEOSA-N 0 0 316.445 3.218 20 10 DGCDRN COc1ccc([C@@H](C)CC(=O)NCc2c(O)cccc2F)cc1 ZINC000928705589 628179284 /nfs/dbraw/zinc/17/92/84/628179284.db2.gz LOUPSMRQDWLYTG-LBPRGKRZSA-N 0 0 317.360 3.350 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@@H]1SCCc2sccc21 ZINC000928705488 628179546 /nfs/dbraw/zinc/17/95/46/628179546.db2.gz KNHFKRAXZWFFBI-CQSZACIVSA-N 0 0 323.414 3.240 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@H]1CCCc2sccc21 ZINC000928704926 628179566 /nfs/dbraw/zinc/17/95/66/628179566.db2.gz GFLIYZXBOIJQPD-NSHDSACASA-N 0 0 305.374 3.329 20 10 DGCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)CCCC(C)C ZINC000819698209 628179838 /nfs/dbraw/zinc/17/98/38/628179838.db2.gz IYGQNTWWVGIYGQ-UHFFFAOYSA-N 0 0 321.417 3.110 20 10 DGCDRN CC(C)OCc1ccc(C(=O)NCc2c(O)cccc2F)cc1 ZINC000928707799 628179950 /nfs/dbraw/zinc/17/99/50/628179950.db2.gz BUBBQLAJZYAJEZ-UHFFFAOYSA-N 0 0 317.360 3.386 20 10 DGCDRN Cc1ccc(C(=O)CCC(=O)NCc2c(O)cccc2F)s1 ZINC000928709905 628180390 /nfs/dbraw/zinc/18/03/90/628180390.db2.gz NMQXOHHRQCTCCI-UHFFFAOYSA-N 0 0 321.373 3.181 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NC[C@H]1CCC[C@H]1C1CC1 ZINC000840394019 628180444 /nfs/dbraw/zinc/18/04/44/628180444.db2.gz LTWWQMYSOVDJBC-ZBFHGGJFSA-N 0 0 302.418 3.360 20 10 DGCDRN Cc1cc(C(=O)N2CC(CC(F)F)C2)c(C)n1-c1ccccn1 ZINC000819730185 628183944 /nfs/dbraw/zinc/18/39/44/628183944.db2.gz YHBMDWRQLHBYMT-UHFFFAOYSA-N 0 0 319.355 3.216 20 10 DGCDRN CCCc1occc1C(=O)C(=O)CC(C)(C)CC(=O)OCC ZINC000819761362 628186237 /nfs/dbraw/zinc/18/62/37/628186237.db2.gz OXOUWKPIINMUOR-UHFFFAOYSA-N 0 0 308.374 3.353 20 10 DGCDRN Cc1noc(C(C)C)c1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000928786070 628187956 /nfs/dbraw/zinc/18/79/56/628187956.db2.gz OSXVWPHJSGQMLT-ALCCZGGFSA-N 0 0 302.330 3.170 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNc3ccncc3Cl)C2)cc1 ZINC000819934945 628201200 /nfs/dbraw/zinc/20/12/00/628201200.db2.gz IXNNGWPYSPCPPG-ZDUSSCGKSA-N 0 0 317.820 3.104 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNc3ccnc(C4CC4)n3)C2)cc1 ZINC000819936257 628201425 /nfs/dbraw/zinc/20/14/25/628201425.db2.gz QQNGIHXAWBMHTR-AWEZNQCLSA-N 0 0 324.428 3.301 20 10 DGCDRN CS[C@@H]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000820077203 628221615 /nfs/dbraw/zinc/22/16/15/628221615.db2.gz VTEXKNLAYJGFJX-QWHCGFSZSA-N 0 0 320.418 3.253 20 10 DGCDRN C[C@@H]1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H](C)C1 ZINC000820189241 628232467 /nfs/dbraw/zinc/23/24/67/628232467.db2.gz XPFKQGCPFLJKNK-QWRGUYRKSA-N 0 0 302.378 3.404 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCC[C@@H]1CC1(Cl)Cl ZINC000820450606 628259767 /nfs/dbraw/zinc/25/97/67/628259767.db2.gz LCJAJQJMDMNQQV-WUWIAWFRSA-N 0 0 317.168 3.238 20 10 DGCDRN Cc1cnc(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)o1 ZINC000820633212 628280326 /nfs/dbraw/zinc/28/03/26/628280326.db2.gz AREVZXCZMDCZBD-BETUJISGSA-N 0 0 319.380 3.348 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2coc(C(C)(C)C)n2)c1 ZINC000821065437 628334188 /nfs/dbraw/zinc/33/41/88/628334188.db2.gz OERWUNLTTXWGDF-JTQLQIEISA-N 0 0 318.373 3.177 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)CSC2CC2)cc1 ZINC000822269157 628434434 /nfs/dbraw/zinc/43/44/34/628434434.db2.gz MAVCNBRDSBWCHG-UHFFFAOYSA-N 0 0 306.475 3.387 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1ccoc1 ZINC000822266258 628434471 /nfs/dbraw/zinc/43/44/71/628434471.db2.gz VFRHSYFVHYCOTG-UHFFFAOYSA-N 0 0 315.417 3.120 20 10 DGCDRN Cc1ncccc1/C=C/C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000822265631 628434546 /nfs/dbraw/zinc/43/45/46/628434546.db2.gz UKLHCHVAWQGFJR-FMIVXFBMSA-N 0 0 309.413 3.128 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@]1(C)CC1(F)F ZINC000822424010 628449839 /nfs/dbraw/zinc/44/98/39/628449839.db2.gz OMRCRABHXTYPEW-HNNXBMFYSA-N 0 0 312.360 3.359 20 10 DGCDRN [O-]c1c(Br)cccc1C[NH+]1CC(CC(F)F)C1 ZINC000822520531 628460603 /nfs/dbraw/zinc/46/06/03/628460603.db2.gz FEAGYFHLTFTCPF-UHFFFAOYSA-N 0 0 306.150 3.242 20 10 DGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CC(CC(F)F)C2)c1[O-] ZINC000822521269 628460618 /nfs/dbraw/zinc/46/06/18/628460618.db2.gz ZTUPKPPHHZJTJS-UHFFFAOYSA-N 0 0 306.696 3.041 20 10 DGCDRN CC/C(C)=C/C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000822586341 628467825 /nfs/dbraw/zinc/46/78/25/628467825.db2.gz NSKAWEVKEQQPCB-WYMLVPIESA-N 0 0 304.459 3.212 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCC(F)(F)C2)cc1 ZINC000822628047 628472366 /nfs/dbraw/zinc/47/23/66/628472366.db2.gz ORSVGLXMIHXXQR-SECBINFHSA-N 0 0 310.304 3.014 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)/C=C/[C@@H]1CCOC1 ZINC000822653013 628475411 /nfs/dbraw/zinc/47/54/11/628475411.db2.gz WPFMLFJJDBRBTH-PYUISTEWSA-N 0 0 316.445 3.082 20 10 DGCDRN CO[C@H](C[N@H+](Cc1ccco1)Cc1ccccc1O)C1CC1 ZINC000822740918 628487909 /nfs/dbraw/zinc/48/79/09/628487909.db2.gz UZPSPELZTWEMOH-GOSISDBHSA-N 0 0 301.386 3.412 20 10 DGCDRN CCC[C@H](OC)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000822819683 628498752 /nfs/dbraw/zinc/49/87/52/628498752.db2.gz YBBMXWKGFLBZGJ-KRWDZBQOSA-N 0 0 304.434 3.108 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)N[C@H]3CC34CC4)cc2)CC1 ZINC000823001699 628518226 /nfs/dbraw/zinc/51/82/26/628518226.db2.gz OTUWXMQRNZWNJU-KRWDZBQOSA-N 0 0 313.445 3.275 20 10 DGCDRN COc1cccc(CNC(=O)N[C@@H](C)C2CCC(F)CC2)c1O ZINC000823062965 628522186 /nfs/dbraw/zinc/52/21/86/628522186.db2.gz PPPFMGQFADHGSY-DCBWTQNWSA-N 0 0 324.396 3.117 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1C[C@H]1C1CCC1 ZINC000823115981 628528152 /nfs/dbraw/zinc/52/81/52/628528152.db2.gz OHFQDJDWSFMEEP-ZWKOTPCHSA-N 0 0 311.429 3.051 20 10 DGCDRN O=C(C[C@H]1CCCC1(F)F)NCc1ccc2cccnc2c1O ZINC000823180824 628534227 /nfs/dbraw/zinc/53/42/27/628534227.db2.gz FNTISOADNMUEMS-CYBMUJFWSA-N 0 0 320.339 3.382 20 10 DGCDRN CC1(C)CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000823201780 628536584 /nfs/dbraw/zinc/53/65/84/628536584.db2.gz COVNUXKPDNKQDK-GFCCVEGCSA-N 0 0 302.378 3.405 20 10 DGCDRN CCn1cc(N(CC(C)C)C(=O)/C=C/c2cnc(C)s2)cn1 ZINC000823425920 628560171 /nfs/dbraw/zinc/56/01/71/628560171.db2.gz GQUGONXKBOFCDQ-VOTSOKGWSA-N 0 0 318.446 3.370 20 10 DGCDRN CCn1cc(N(CC(C)C)C(=O)/C=C/c2cncc(F)c2)cn1 ZINC000823430366 628560816 /nfs/dbraw/zinc/56/08/16/628560816.db2.gz MDESDDBHZWOMLD-AATRIKPKSA-N 0 0 316.380 3.140 20 10 DGCDRN CCOC(=O)CN(C/C(Cl)=C\Cl)Cc1ccccc1O ZINC000823575958 628575957 /nfs/dbraw/zinc/57/59/57/628575957.db2.gz FQBXHYXSXVBVIG-KPKJPENVSA-N 0 0 318.200 3.076 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@H](C)[C@H]1C ZINC000840480992 628579179 /nfs/dbraw/zinc/57/91/79/628579179.db2.gz AMAGTATUISQUJT-SOUVJXGZSA-N 0 0 303.450 3.042 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000823693564 628587175 /nfs/dbraw/zinc/58/71/75/628587175.db2.gz OMOHSPNLHAHCMP-LLLHUVSDSA-N 0 0 315.461 3.090 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCOC1(C)C ZINC000823750404 628593717 /nfs/dbraw/zinc/59/37/17/628593717.db2.gz ORKQLYCSAKLIQF-OAHLLOKOSA-N 0 0 320.433 3.129 20 10 DGCDRN COc1nccnc1CN1CCCc2cc(OC(F)F)ccc21 ZINC000824162507 628633461 /nfs/dbraw/zinc/63/34/61/628633461.db2.gz URAOOOSCRILRMG-UHFFFAOYSA-N 0 0 321.327 3.039 20 10 DGCDRN CC(C)C[C@@H](C(=O)NCc1cc(Cl)ccc1O)n1ccnc1 ZINC000824212909 628637422 /nfs/dbraw/zinc/63/74/22/628637422.db2.gz BUVXTMGGPYAKPS-AWEZNQCLSA-N 0 0 321.808 3.146 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nccc2[nH]ccc21 ZINC000824234522 628640951 /nfs/dbraw/zinc/64/09/51/628640951.db2.gz LLJJEPXUYVMFOZ-UHFFFAOYSA-N 0 0 322.412 3.291 20 10 DGCDRN Cc1cc(O)c(CN2CCN(c3ccccn3)CC2)cc1Cl ZINC000824491786 628665005 /nfs/dbraw/zinc/66/50/05/628665005.db2.gz VQIBSZFTXDWBEG-UHFFFAOYSA-N 0 0 317.820 3.071 20 10 DGCDRN CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000824636050 628679479 /nfs/dbraw/zinc/67/94/79/628679479.db2.gz LHGIMQRHMYQDEZ-RNCFNFMXSA-N 0 0 304.217 3.292 20 10 DGCDRN CC[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000824653768 628680366 /nfs/dbraw/zinc/68/03/66/628680366.db2.gz HHYWCALRKJLXMM-VXGBXAGGSA-N 0 0 308.378 3.225 20 10 DGCDRN C[N@H+](Cc1c([O-])ccc(Cl)c1F)[C@@H](CO)c1ccccc1 ZINC000824696391 628684498 /nfs/dbraw/zinc/68/44/98/628684498.db2.gz MHCNTZVTEBXXHB-AWEZNQCLSA-N 0 0 309.768 3.350 20 10 DGCDRN CCN(C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)C1CC1 ZINC000840489750 628687743 /nfs/dbraw/zinc/68/77/43/628687743.db2.gz TYBNBZOQKNUPBP-AWEZNQCLSA-N 0 0 303.450 3.186 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000824851558 628700393 /nfs/dbraw/zinc/70/03/93/628700393.db2.gz GJPDFXZBSIXAEQ-RTXFEEFZSA-N 0 0 300.362 3.015 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCC[C@H]1C1CC1 ZINC000840491144 628702938 /nfs/dbraw/zinc/70/29/38/628702938.db2.gz NWOCFMIQWKMGON-WSQYCBKMSA-N 0 0 301.386 3.054 20 10 DGCDRN COc1cccc(O)c1C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000824893222 628703658 /nfs/dbraw/zinc/70/36/58/628703658.db2.gz NRADRKIFSKMDMC-CVEARBPZSA-N 0 0 317.429 3.182 20 10 DGCDRN CC[C@@H](Nc1ccc(O[C@@H]2CC(=O)N2)cc1)c1ccccc1O ZINC000825000050 628715417 /nfs/dbraw/zinc/71/54/17/628715417.db2.gz VLTHWRNTCUNHLO-CRAIPNDOSA-N 0 0 312.369 3.180 20 10 DGCDRN CCOCc1cc(CN[C@H]2C[C@@H](C)n3ccnc32)ccc1OC ZINC000825016714 628716550 /nfs/dbraw/zinc/71/65/50/628716550.db2.gz GOADLZWJXKLTIU-CJNGLKHVSA-N 0 0 315.417 3.224 20 10 DGCDRN C[C@@H](O)CN(Cc1cc(Cl)cc(Cl)c1[O-])CC(F)F ZINC000825098783 628727299 /nfs/dbraw/zinc/72/72/99/628727299.db2.gz OKFBPVWNHBDXBC-SSDOTTSWSA-N 0 0 314.159 3.147 20 10 DGCDRN C[C@H](O)CN(Cc1ccc(N2CCCCC2)cc1)CC(F)F ZINC000825098169 628727625 /nfs/dbraw/zinc/72/76/25/628727625.db2.gz BTYODEFIAHFGFK-AWEZNQCLSA-N 0 0 312.404 3.125 20 10 DGCDRN CCc1ccc(NCc2cc3c(cc2O)OCO3)cc1OC ZINC000825110111 628729465 /nfs/dbraw/zinc/72/94/65/628729465.db2.gz BYKUNHXPRVRVNL-UHFFFAOYSA-N 0 0 301.342 3.304 20 10 DGCDRN COc1cccnc1CNCc1ccc(N2CCCCC2)cc1 ZINC000825249866 628742202 /nfs/dbraw/zinc/74/22/02/628742202.db2.gz QCYHYPYMWMDGAM-UHFFFAOYSA-N 0 0 311.429 3.370 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C2(C)CCC(=O)CC2)cc1 ZINC000825325483 628750050 /nfs/dbraw/zinc/75/00/50/628750050.db2.gz CTPWYIKNXKPUGE-UHFFFAOYSA-N 0 0 316.445 3.298 20 10 DGCDRN COc1ccc(O)c(CNC(=O)/C(F)=C/C2CCCCC2)c1 ZINC000825840149 628802313 /nfs/dbraw/zinc/80/23/13/628802313.db2.gz QQFGZKQQEUAKJE-DHDCSXOGSA-N 0 0 307.365 3.451 20 10 DGCDRN CC[C@@H]1CN(Cc2cc(Cl)c(C)cc2O)C[C@H](C)[S@@]1=O ZINC000825886829 628807484 /nfs/dbraw/zinc/80/74/84/628807484.db2.gz QQVPFVHTYVVBCR-SCLGINMFSA-N 0 0 315.866 3.085 20 10 DGCDRN C[C@@H](NC(=O)NC[C@@H](C)CC(F)F)c1ccc(N(C)C)cc1 ZINC000826530173 628856534 /nfs/dbraw/zinc/85/65/34/628856534.db2.gz CMZVTVJYMHXJCM-NWDGAFQWSA-N 0 0 313.392 3.404 20 10 DGCDRN CCc1cccc(CNc2nn(CCCOC)cc2C)c1O ZINC000826686650 628873203 /nfs/dbraw/zinc/87/32/03/628873203.db2.gz NKHDWEXQVYIKOD-UHFFFAOYSA-N 0 0 303.406 3.108 20 10 DGCDRN CC[C@@H](COCC1CC1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000826867454 628897420 /nfs/dbraw/zinc/89/74/20/628897420.db2.gz JSXIQGOLNRRVOW-LBPRGKRZSA-N 0 0 301.789 3.480 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C(C)(C)SC)cc1F ZINC000826943701 628905789 /nfs/dbraw/zinc/90/57/89/628905789.db2.gz YOHLBLMWPOVRPV-UHFFFAOYSA-N 0 0 312.454 3.430 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C(F)(F)CC)cc1F ZINC000826942369 628905888 /nfs/dbraw/zinc/90/58/88/628905888.db2.gz OZSMINQBTUELSZ-UHFFFAOYSA-N 0 0 302.340 3.333 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ncccc2F)cc1F ZINC000826942118 628905990 /nfs/dbraw/zinc/90/59/90/628905990.db2.gz MNXNCLXGUWKDEG-UHFFFAOYSA-N 0 0 319.355 3.136 20 10 DGCDRN C[C@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)CC(F)F ZINC000827155019 628929528 /nfs/dbraw/zinc/92/95/28/628929528.db2.gz MTSHIRUMWHVKEE-LBPRGKRZSA-N 0 0 313.392 3.185 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)c1 ZINC000827166667 628930956 /nfs/dbraw/zinc/93/09/56/628930956.db2.gz JXKVYQSXUNHRNV-LSDHHAIUSA-N 0 0 317.335 3.399 20 10 DGCDRN C[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@]1(C)CO ZINC000827699459 628983884 /nfs/dbraw/zinc/98/38/84/628983884.db2.gz HQHNBKZJAYBOKB-XPTSAGLGSA-N 0 0 304.217 3.149 20 10 DGCDRN CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000827751354 628988522 /nfs/dbraw/zinc/98/85/22/628988522.db2.gz TXMJYQKVVMEWQK-XJKSGUPXSA-N 0 0 311.809 3.257 20 10 DGCDRN Cc1cccc(CN2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)c1O ZINC000827786750 628990972 /nfs/dbraw/zinc/99/09/72/628990972.db2.gz LKMPLEFQFWTQSZ-YPMHNXCESA-N 0 0 303.324 3.242 20 10 DGCDRN CCc1cccc(CN2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)c1O ZINC000827785982 628991147 /nfs/dbraw/zinc/99/11/47/628991147.db2.gz FJNSVYYDUILESI-SMDDNHRTSA-N 0 0 317.351 3.496 20 10 DGCDRN CN(C)c1ccc(CN2CCO[C@H](CC(F)(F)F)C2)cc1F ZINC000827789273 628991452 /nfs/dbraw/zinc/99/14/52/628991452.db2.gz WFGKEFFWKCJQSS-GFCCVEGCSA-N 0 0 320.330 3.045 20 10 DGCDRN CCOc1ccccc1OCC(=O)N[C@H](C)c1ccccc1O ZINC000827918513 629003826 /nfs/dbraw/zinc/00/38/26/629003826.db2.gz WUFXNBWFZYQKPM-CYBMUJFWSA-N 0 0 315.369 3.047 20 10 DGCDRN COc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccccc2O)cc1 ZINC000827923540 629003882 /nfs/dbraw/zinc/00/38/82/629003882.db2.gz USHHPBXUKIXQLI-CHWSQXEVSA-N 0 0 315.369 3.046 20 10 DGCDRN C[C@@H](NC(=O)c1ccc2c(c1)CCCC(=O)N2)c1ccccc1O ZINC000827930270 629004644 /nfs/dbraw/zinc/00/46/44/629004644.db2.gz FSRFPWFWAPPJKY-GFCCVEGCSA-N 0 0 324.380 3.158 20 10 DGCDRN CO[C@H](C)c1nc(C)c(C(=O)N[C@H](C)c2ccccc2O)s1 ZINC000827936834 629005450 /nfs/dbraw/zinc/00/54/50/629005450.db2.gz DFNYRFOIMHYFCW-MWLCHTKSSA-N 0 0 320.414 3.356 20 10 DGCDRN CCC(CC)n1nccc1C(=O)N[C@H](C)c1ccccc1O ZINC000827940520 629005937 /nfs/dbraw/zinc/00/59/37/629005937.db2.gz FCCTZZVXMTYXRT-GFCCVEGCSA-N 0 0 301.390 3.441 20 10 DGCDRN CSCc1cccnc1C(=O)N[C@H](C)c1ccccc1O ZINC000827946520 629006352 /nfs/dbraw/zinc/00/63/52/629006352.db2.gz KUNUWPCCUKZMMP-LLVKDONJSA-N 0 0 302.399 3.141 20 10 DGCDRN CC(C)C[C@@H](C(=O)N[C@H](C)c1ccccc1O)n1ccnc1 ZINC000827952303 629007095 /nfs/dbraw/zinc/00/70/95/629007095.db2.gz NBXKIDBRRDXXPH-HIFRSBDPSA-N 0 0 301.390 3.053 20 10 DGCDRN C[C@@H](NC(=O)[C@@H](C)OCCc1ccccc1)c1ccccc1O ZINC000827952010 629007171 /nfs/dbraw/zinc/00/71/71/629007171.db2.gz CNEBXEALUKMAPD-HUUCEWRRSA-N 0 0 313.397 3.217 20 10 DGCDRN COc1ccc2c(c1)CC[C@@H]2C(=O)N[C@H](C)c1ccccc1O ZINC000827956588 629007516 /nfs/dbraw/zinc/00/75/16/629007516.db2.gz NLWARPBJEGBQAH-PXAZEXFGSA-N 0 0 311.381 3.308 20 10 DGCDRN Cc1cccc(CO[C@@H](C)C(=O)N[C@H](C)c2ccccc2O)c1 ZINC000827955753 629007693 /nfs/dbraw/zinc/00/76/93/629007693.db2.gz DRDDISKNWIRBGU-CABCVRRESA-N 0 0 313.397 3.483 20 10 DGCDRN C[C@@H](NC(=O)C1([C@H]2CCCCO2)CCC1)c1ccccc1O ZINC000827957874 629008306 /nfs/dbraw/zinc/00/83/06/629008306.db2.gz ZPVWKHVOQWWRJF-CZUORRHYSA-N 0 0 303.402 3.309 20 10 DGCDRN CCSc1cccnc1C(=O)N[C@@H](C)c1ccccc1O ZINC000827960269 629008370 /nfs/dbraw/zinc/00/83/70/629008370.db2.gz MRDHBBYNDXXYLB-NSHDSACASA-N 0 0 302.399 3.390 20 10 DGCDRN CC(=O)[C@@H]1C[C@H](CC(=O)N[C@@H](C)c2ccccc2O)C1(C)C ZINC000827969452 629009451 /nfs/dbraw/zinc/00/94/51/629009451.db2.gz MTLMONWGUJODHH-LNSITVRQSA-N 0 0 303.402 3.211 20 10 DGCDRN COc1ccc(C[C@H](C)C(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000827972843 629010035 /nfs/dbraw/zinc/01/00/35/629010035.db2.gz ARALKXCGQCIIOQ-KBPBESRZSA-N 0 0 313.397 3.457 20 10 DGCDRN CC[C@H](C(=O)N[C@@H](C)c1ccccc1O)c1c(C)noc1C ZINC000827978237 629010439 /nfs/dbraw/zinc/01/04/39/629010439.db2.gz LRBMRAQOLVUUNU-GWCFXTLKSA-N 0 0 302.374 3.368 20 10 DGCDRN C[C@H](NC(=O)Cc1csc(C2CC2)n1)c1ccccc1O ZINC000827987039 629011917 /nfs/dbraw/zinc/01/19/17/629011917.db2.gz XOLBAIHDYCVTKD-JTQLQIEISA-N 0 0 302.399 3.146 20 10 DGCDRN Oc1c(Br)cccc1CNc1nc(C2CCC2)no1 ZINC000828030184 629016607 /nfs/dbraw/zinc/01/66/07/629016607.db2.gz BVFZDFOGHMYKAT-UHFFFAOYSA-N 0 0 324.178 3.417 20 10 DGCDRN COc1cncc(/C=C\CCN(C)c2ccc3c(c2)OCO3)c1 ZINC000828098287 629022778 /nfs/dbraw/zinc/02/27/78/629022778.db2.gz KUJSFUJTUKFZTE-HYXAFXHYSA-N 0 0 312.369 3.359 20 10 DGCDRN CC(C)c1nnc(NCc2cc(Br)ccc2O)o1 ZINC000828194264 629031874 /nfs/dbraw/zinc/03/18/74/629031874.db2.gz GTPOWBBQXYHOIX-UHFFFAOYSA-N 0 0 312.167 3.273 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCS[C@H]1C ZINC000828524396 629062838 /nfs/dbraw/zinc/06/28/38/629062838.db2.gz CALIUBLDZFDEOK-XJKSGUPXSA-N 0 0 321.490 3.178 20 10 DGCDRN Cc1cc(C(=O)CN2C[C@H](C)[C@@H]2C)c(C)n1-c1ccc(F)cn1 ZINC000830027956 629218714 /nfs/dbraw/zinc/21/87/14/629218714.db2.gz CRGQEIXIIMDCOA-AAEUAGOBSA-N 0 0 315.392 3.151 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)CCc1cccnc1Cl ZINC000830141117 629229621 /nfs/dbraw/zinc/22/96/21/629229621.db2.gz NBIPOKNFNZWBDK-UHFFFAOYSA-N 0 0 304.777 3.032 20 10 DGCDRN Cc1cncc([C@H]2CCCN2C(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000830465517 629272941 /nfs/dbraw/zinc/27/29/41/629272941.db2.gz RPIPOZJQHYDFLV-BIENSFFJSA-N 0 0 324.380 3.178 20 10 DGCDRN CN(C)c1ccc(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1F ZINC000830636096 629290671 /nfs/dbraw/zinc/29/06/71/629290671.db2.gz VFPYCYJIEKGUMF-LXZKKBNFSA-N 0 0 320.408 3.109 20 10 DGCDRN Cc1cc(C(=O)COC(=O)C2(F)CC2)c(C)n1-c1ccccc1 ZINC000830774706 629303824 /nfs/dbraw/zinc/30/38/24/629303824.db2.gz SBLQZAIZIPPWLO-UHFFFAOYSA-N 0 0 315.344 3.322 20 10 DGCDRN CC(C)(C)Cc1csc(NC(=O)Cc2ccc(N)cc2)n1 ZINC000831522787 629385192 /nfs/dbraw/zinc/38/51/92/629385192.db2.gz XJBNXYRDSCLQOI-UHFFFAOYSA-N 0 0 303.431 3.495 20 10 DGCDRN COc1ccc(N(Cc2ncnn2C(C)(C)C)CC2CC2)cc1 ZINC000831588090 629394157 /nfs/dbraw/zinc/39/41/57/629394157.db2.gz SKOILVOKHTZFGO-UHFFFAOYSA-N 0 0 314.433 3.458 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCC2(CC2)C1 ZINC000831923948 629428462 /nfs/dbraw/zinc/42/84/62/629428462.db2.gz AFJTVJLMVXEZLS-TZMCWYRMSA-N 0 0 303.402 3.115 20 10 DGCDRN CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])C12CCC2 ZINC000832208422 629450171 /nfs/dbraw/zinc/45/01/71/629450171.db2.gz ACAMHAJXFAAOEN-CVEARBPZSA-N 0 0 321.392 3.123 20 10 DGCDRN Cc1csc([C@H](C)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000832431895 629479461 /nfs/dbraw/zinc/47/94/61/629479461.db2.gz XTJMZQRFZHSYIR-CHWSQXEVSA-N 0 0 317.458 3.498 20 10 DGCDRN C[C@H](NC(=O)[C@@H]1C[C@H]1OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000832435733 629479941 /nfs/dbraw/zinc/47/99/41/629479941.db2.gz DJLVLLJBAAGCKM-APHBMKBZSA-N 0 0 304.434 3.133 20 10 DGCDRN Cc1ccn([C@H](C)CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000832437101 629480197 /nfs/dbraw/zinc/48/01/97/629480197.db2.gz XDEHZOYEBIKRGY-CABCVRRESA-N 0 0 314.433 3.086 20 10 DGCDRN C[C@@]1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCCCO1 ZINC000832449544 629482196 /nfs/dbraw/zinc/48/21/96/629482196.db2.gz AKSJFEASZPZKNL-INIZCTEOSA-N 0 0 321.398 3.002 20 10 DGCDRN C[C@H]1C[C@H]1c1ccc(CCC(=O)NCCc2ccc(N)cc2)o1 ZINC000832653132 629502565 /nfs/dbraw/zinc/50/25/65/629502565.db2.gz QBPSPYBBPISCGM-SUMWQHHRSA-N 0 0 312.413 3.277 20 10 DGCDRN C/C(=C/C(=O)N1CC(C)(C)Cc2ccccc21)c1cnccn1 ZINC000833311539 629581926 /nfs/dbraw/zinc/58/19/26/629581926.db2.gz XNCPNLSGKISUGF-UVTDQMKNSA-N 0 0 307.397 3.495 20 10 DGCDRN CC[C@@H](CO)N(C)C(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000833337474 629587334 /nfs/dbraw/zinc/58/73/34/629587334.db2.gz PWNICJJTSRYJND-INIZCTEOSA-N 0 0 314.429 3.245 20 10 DGCDRN COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(C(=O)[O-])sc2C)c1 ZINC000833733996 629644211 /nfs/dbraw/zinc/64/42/11/629644211.db2.gz YIUROMPXIHWOOS-VIFPVBQESA-N 0 0 321.398 3.320 20 10 DGCDRN COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C(=O)[O-])s2)c1 ZINC000833733808 629644456 /nfs/dbraw/zinc/64/44/56/629644456.db2.gz QSMHJHCWWVSECV-VIFPVBQESA-N 0 0 307.371 3.011 20 10 DGCDRN Cn1ccnc1[C@H](N[C@@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000834503245 629718584 /nfs/dbraw/zinc/71/85/84/629718584.db2.gz XBJVMMGICJKZOV-VQIMIIECSA-N 0 0 319.408 3.492 20 10 DGCDRN CC(C)[C@@H](N[C@H]1CCc2cccc(O)c21)C(=O)OC(C)(C)C ZINC000834737308 629770530 /nfs/dbraw/zinc/77/05/30/629770530.db2.gz NBORWRAPCCCXNB-XJKSGUPXSA-N 0 0 305.418 3.335 20 10 DGCDRN CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCO1 ZINC000834884770 629796883 /nfs/dbraw/zinc/79/68/83/629796883.db2.gz CTJZAVHGVWJUFT-DCGLDWPTSA-N 0 0 322.405 3.402 20 10 DGCDRN C[C@H]1C[C@@H](NCc2nn(C)cc2Cl)c2c1c(F)ccc2O ZINC000834882135 629797020 /nfs/dbraw/zinc/79/70/20/629797020.db2.gz GAQLLRLDYPISOK-GZMMTYOYSA-N 0 0 309.772 3.256 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cc(C)cs2)c1 ZINC000834882049 629797051 /nfs/dbraw/zinc/79/70/51/629797051.db2.gz DHZFSIAODZSYGM-NSHDSACASA-N 0 0 305.399 3.400 20 10 DGCDRN CC[C@H]([NH2+][C@H](C)c1cc(Br)c(F)cc1[O-])[C@@H](C)O ZINC000834888219 629798811 /nfs/dbraw/zinc/79/88/11/629798811.db2.gz NPWQBHLFDAOASN-RWYTXXIDSA-N 0 0 320.202 3.104 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1COCC1(C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000834903924 629804099 /nfs/dbraw/zinc/80/40/99/629804099.db2.gz MGZOPFBYMUDYEK-BXKDBHETSA-N 0 0 303.324 3.487 20 10 DGCDRN C[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccc(Cl)c(Cl)c1[O-] ZINC000834908885 629805843 /nfs/dbraw/zinc/80/58/43/629805843.db2.gz MQDWHOMKZQMYPQ-XLKFXECMSA-N 0 0 317.216 3.018 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](CC)C(=O)NC)c1ccc(Cl)c(Cl)c1[O-] ZINC000834911183 629806779 /nfs/dbraw/zinc/80/67/79/629806779.db2.gz HQLVOJYTMDXUFR-MNOVXSKESA-N 0 0 319.232 3.264 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834910995 629806904 /nfs/dbraw/zinc/80/69/04/629806904.db2.gz QXSOQHBJARFADG-NWDGAFQWSA-N 0 0 308.378 3.156 20 10 DGCDRN Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1C ZINC000834916446 629808205 /nfs/dbraw/zinc/80/82/05/629808205.db2.gz YUAZMYYJKJOXHB-YOEHRIQHSA-N 0 0 317.404 3.402 20 10 DGCDRN Cc1nn(C)c2ncc(NC/C=C/c3ccc(N(C)C)cc3)cc12 ZINC000835044200 629833725 /nfs/dbraw/zinc/83/37/25/629833725.db2.gz HFHDMBBYSXSWKO-AATRIKPKSA-N 0 0 321.428 3.468 20 10 DGCDRN Cc1cc(C(=O)O[C@@H]2CCOC[C@H]2C)c(C)n1-c1ccccn1 ZINC000835782195 630001900 /nfs/dbraw/zinc/00/19/00/630001900.db2.gz ITRFMEJFZBFISH-MLGOLLRUSA-N 0 0 314.385 3.071 20 10 DGCDRN CCO[C@@H]1CCC[C@H]1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000836406513 630110013 /nfs/dbraw/zinc/11/00/13/630110013.db2.gz UCMCICOWFPAJFO-KBRIMQKVSA-N 0 0 319.449 3.070 20 10 DGCDRN C[C@@H](NC(=O)N1CCC[C@](C)(F)C1)c1ccc(N(C)C)cc1 ZINC000836405361 630110246 /nfs/dbraw/zinc/11/02/46/630110246.db2.gz DLSOLFJEIDSZLZ-DYVFJYSZSA-N 0 0 307.413 3.347 20 10 DGCDRN CC[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)C(F)F ZINC000836512285 630124972 /nfs/dbraw/zinc/12/49/72/630124972.db2.gz NCBVIYJWOYDSRI-ZDUSSCGKSA-N 0 0 312.360 3.114 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C2CC2)C2CCC2)c1 ZINC000836687675 630150968 /nfs/dbraw/zinc/15/09/68/630150968.db2.gz WLGNASRKAMTLHZ-DIFFPNOSSA-N 0 0 318.417 3.340 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@@H](C2CC2)C2CCC2)cc1F ZINC000836686744 630151161 /nfs/dbraw/zinc/15/11/61/630151161.db2.gz DKFGNMLKYZZVQJ-QGZVFWFLSA-N 0 0 319.424 3.270 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2ccc3c(c2)CCC3=O)cc1 ZINC000836715001 630154862 /nfs/dbraw/zinc/15/48/62/630154862.db2.gz XTDQJRUQMBHMGM-UHFFFAOYSA-N 0 0 323.396 3.203 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NCC2(CC(C)C)CC2)c1 ZINC000121474642 630189761 /nfs/dbraw/zinc/18/97/61/630189761.db2.gz OUMPGLZNWSVKPM-UHFFFAOYSA-N 0 0 306.406 3.026 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@]2(C)CCCCO2)cc1 ZINC000837355982 630246337 /nfs/dbraw/zinc/24/63/37/630246337.db2.gz YDPATCZVTVIJEZ-SFHVURJKSA-N 0 0 304.434 3.108 20 10 DGCDRN COc1cccc(CNC(=O)Cc2cccc(C(C)C)c2)c1O ZINC000837486390 630265656 /nfs/dbraw/zinc/26/56/56/630265656.db2.gz YDOOIYHBLRYLQQ-UHFFFAOYSA-N 0 0 313.397 3.383 20 10 DGCDRN COc1cccc(CNC(=O)NCc2ccccc2Cl)c1O ZINC000102939640 630326038 /nfs/dbraw/zinc/32/60/38/630326038.db2.gz OZBMCPPTQYJLAP-UHFFFAOYSA-N 0 0 320.776 3.054 20 10 DGCDRN COC(=O)c1cnc([C@H](C)NCc2ccc(OC)c(C)c2)s1 ZINC000840721737 630352266 /nfs/dbraw/zinc/35/22/66/630352266.db2.gz WJXPCSQDIYGIOJ-NSHDSACASA-N 0 0 320.414 3.098 20 10 DGCDRN Cc1cc(N(C)C)ccc1[C@H]1NC2(CC2)C(=O)N1c1ccccc1 ZINC000840828884 630363182 /nfs/dbraw/zinc/36/31/82/630363182.db2.gz SHPSJXVKUCOOSO-SFHVURJKSA-N 0 0 321.424 3.229 20 10 DGCDRN CCN1C(=O)C(C)(C)N[C@@H]1c1cc(-c2ccccc2)ccc1O ZINC000840834643 630364447 /nfs/dbraw/zinc/36/44/47/630364447.db2.gz YULWXXZACISOCX-KRWDZBQOSA-N 0 0 310.397 3.288 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)CC(F)(F)F)c1 ZINC000840870838 630369678 /nfs/dbraw/zinc/36/96/78/630369678.db2.gz AHHDFHRTRWRMGR-ZJUUUORDSA-N 0 0 319.323 3.418 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC(C)(C)OCC2CC2)c1 ZINC000840877566 630370785 /nfs/dbraw/zinc/37/07/85/630370785.db2.gz YQTKAURHDQQAJR-GFCCVEGCSA-N 0 0 321.417 3.035 20 10 DGCDRN O=C1CC[C@@H](c2cccc(N[C@@H]3CCc4cccc(O)c43)c2)N1 ZINC000840883062 630371661 /nfs/dbraw/zinc/37/16/61/630371661.db2.gz CVTNVSCQQIWZOT-JKSUJKDBSA-N 0 0 308.381 3.443 20 10 DGCDRN Cc1cc(O)c(CN2CCN(CC(F)(F)F)CC2)c(Cl)c1 ZINC000840909593 630376255 /nfs/dbraw/zinc/37/62/55/630376255.db2.gz JRGICMBBBIKAJD-UHFFFAOYSA-N 0 0 322.758 3.034 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1CCOC[C@H]1c1ccco1 ZINC000840915102 630376927 /nfs/dbraw/zinc/37/69/27/630376927.db2.gz KBPWHXDLNKRJMM-KRWDZBQOSA-N 0 0 300.402 3.228 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1CCO[C@H](c2ccco2)C1 ZINC000840919157 630378055 /nfs/dbraw/zinc/37/80/55/630378055.db2.gz WIQUBWMRWKAVAN-SFHVURJKSA-N 0 0 300.402 3.228 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1nnc(C(C)C)[nH]1 ZINC000840936308 630380859 /nfs/dbraw/zinc/38/08/59/630380859.db2.gz JADADXQPZVDUDA-ZDUSSCGKSA-N 0 0 301.438 3.153 20 10 DGCDRN CCC1(CC)CN(Cc2ccc(N(C)C)cc2C)CC[S@]1=O ZINC000840938791 630381273 /nfs/dbraw/zinc/38/12/73/630381273.db2.gz RIOXTZGYQJWTQU-JOCHJYFZSA-N 0 0 322.518 3.184 20 10 DGCDRN COC(=O)[C@H](NCc1ccc(N(C)C)cc1C)c1cccs1 ZINC000840942259 630382159 /nfs/dbraw/zinc/38/21/59/630382159.db2.gz WZLLARBLCYNILB-MRXNPFEDSA-N 0 0 318.442 3.126 20 10 DGCDRN CCOC(=O)c1cc(NCc2ccc(N(C)C)cc2C)cn1C ZINC000840948835 630382689 /nfs/dbraw/zinc/38/26/89/630382689.db2.gz LIWHUROWFYZCOJ-UHFFFAOYSA-N 0 0 315.417 3.188 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH+]1CCC(c2ccncn2)CC1 ZINC000840953578 630383888 /nfs/dbraw/zinc/38/38/88/630383888.db2.gz UZLXXKLPXKAHJR-UHFFFAOYSA-N 0 0 321.783 3.354 20 10 DGCDRN C[C@H](C(=O)[O-])[N@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000840995710 630392478 /nfs/dbraw/zinc/39/24/78/630392478.db2.gz MPGUEGZWBSAJMW-CYBMUJFWSA-N 0 0 318.442 3.289 20 10 DGCDRN COC(=O)COc1c(C)cc(CNc2ccc(N)cc2)cc1C ZINC000841040578 630400372 /nfs/dbraw/zinc/40/03/72/630400372.db2.gz UJBZFBRMYNHZBH-UHFFFAOYSA-N 0 0 314.385 3.050 20 10 DGCDRN CC(C)Oc1ccc(NC(=O)NCCc2ccc(N)cc2)cc1 ZINC000841050531 630402454 /nfs/dbraw/zinc/40/24/54/630402454.db2.gz ISDWXTMVVBSLFA-UHFFFAOYSA-N 0 0 313.401 3.420 20 10 DGCDRN CC(C)(C)c1cnc(NC(=O)NCCc2ccc(N)cc2)s1 ZINC000841129855 630410627 /nfs/dbraw/zinc/41/06/27/630410627.db2.gz HNEXJMJECNSRMY-UHFFFAOYSA-N 0 0 318.446 3.387 20 10 DGCDRN CCCCN(C(=O)C(=O)Nc1ccc(N)cc1)C1CCCCC1 ZINC000841135074 630411036 /nfs/dbraw/zinc/41/10/36/630411036.db2.gz CQPZZSRGADZBGW-UHFFFAOYSA-N 0 0 317.433 3.169 20 10 DGCDRN C[C@H](NC(=O)Nc1ccc(N)cc1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000841298751 630424501 /nfs/dbraw/zinc/42/45/01/630424501.db2.gz DDBUAQFIZOHRSQ-NVGCLXPQSA-N 0 0 311.385 3.344 20 10 DGCDRN COc1cccc(C2(CNC(=O)Nc3ccc(N)cc3)CC2)c1 ZINC000841298356 630424525 /nfs/dbraw/zinc/42/45/25/630424525.db2.gz AUGGDDPOGWQYLF-UHFFFAOYSA-N 0 0 311.385 3.131 20 10 DGCDRN Cc1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(N)cc3)C2)cc1 ZINC000841298564 630424587 /nfs/dbraw/zinc/42/45/87/630424587.db2.gz BKAYMLMOSJJKHQ-QGZVFWFLSA-N 0 0 324.428 3.368 20 10 DGCDRN CC(=O)c1ccc2c(c1)CCN(C(=O)Nc1ccc(N)cc1)CC2 ZINC000841298500 630424616 /nfs/dbraw/zinc/42/46/16/630424616.db2.gz QJIWHKVIGSYUMD-UHFFFAOYSA-N 0 0 323.396 3.104 20 10 DGCDRN C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(N)cc1 ZINC000841299797 630425105 /nfs/dbraw/zinc/42/51/05/630425105.db2.gz OEFLUDIWGRECTC-UWVGGRQHSA-N 0 0 301.312 3.464 20 10 DGCDRN COc1ccc(C(C)(C)CNC(=O)Nc2ccc(N)cc2)cc1 ZINC000841301778 630425327 /nfs/dbraw/zinc/42/53/27/630425327.db2.gz YOJJMUQWLUTZEZ-UHFFFAOYSA-N 0 0 313.401 3.377 20 10 DGCDRN Nc1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000841302369 630425349 /nfs/dbraw/zinc/42/53/49/630425349.db2.gz VBORXBGHXHWQPT-UHFFFAOYSA-N 0 0 310.401 3.191 20 10 DGCDRN Nc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)cc1 ZINC000841301193 630425362 /nfs/dbraw/zinc/42/53/62/630425362.db2.gz FKLJNXDVVSYGRB-SJORKVTESA-N 0 0 311.385 3.311 20 10 DGCDRN C[C@H](NC(=O)N1C[C@H](C)[C@H](C)[C@H]1C)c1ccc(N(C)C)cc1 ZINC000841581960 630446252 /nfs/dbraw/zinc/44/62/52/630446252.db2.gz LUBOWNMUEAOWDO-ZQDZILKHSA-N 0 0 303.450 3.500 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCO[C@@]2(CCOC2)C1)c1ccc(Cl)cc1[O-] ZINC000841748246 630461818 /nfs/dbraw/zinc/46/18/18/630461818.db2.gz IKTZZAMBOPRSOD-RBOXIYTFSA-N 0 0 311.809 3.034 20 10 DGCDRN C[C@@H]([NH2+][C@H](CO)CC1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000841759917 630462889 /nfs/dbraw/zinc/46/28/89/630462889.db2.gz BBPDRZFGIWEPEF-OCCSQVGLSA-N 0 0 322.405 3.282 20 10 DGCDRN CC[C@H](Cc1ccccc1)NC(=O)NCCc1ccc(N)cc1 ZINC000841784606 630464787 /nfs/dbraw/zinc/46/47/87/630464787.db2.gz AZKFUJFBZSTEJL-GOSISDBHSA-N 0 0 311.429 3.132 20 10 DGCDRN Cc1ccc2c(c1)[C@@H](NC(=O)NCCc1ccc(N)cc1)CC2 ZINC000841793808 630465194 /nfs/dbraw/zinc/46/51/94/630465194.db2.gz UHKPFGRDDGMSMW-SFHVURJKSA-N 0 0 309.413 3.106 20 10 DGCDRN Cc1cccc2c1CC[C@H]2NC(=O)NCCc1ccc(N)cc1 ZINC000841790848 630465324 /nfs/dbraw/zinc/46/53/24/630465324.db2.gz LCADKOYPQMIRNI-GOSISDBHSA-N 0 0 309.413 3.106 20 10 DGCDRN CC[C@@H](NC(=O)NCCc1ccc(N)cc1)c1nc(C)cs1 ZINC000841793201 630465369 /nfs/dbraw/zinc/46/53/69/630465369.db2.gz GUQXGBLYOGDHEU-CQSZACIVSA-N 0 0 318.446 3.027 20 10 DGCDRN O=C([O-])CC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000841805272 630466109 /nfs/dbraw/zinc/46/61/09/630466109.db2.gz LTHNQUKTHVMDDQ-QGZVFWFLSA-N 0 0 311.381 3.317 20 10 DGCDRN CCCN(CCC)c1ccc(C[NH2+][C@@H]2C=C[C@@H](C(=O)[O-])C2)cc1 ZINC000841814154 630467636 /nfs/dbraw/zinc/46/76/36/630467636.db2.gz QSVIFSHVWBGDCG-IAGOWNOFSA-N 0 0 316.445 3.432 20 10 DGCDRN Cc1cc(C[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)n(C)n1 ZINC000841862668 630472082 /nfs/dbraw/zinc/47/20/82/630472082.db2.gz CKQZHVNLBNUDHL-UHFFFAOYSA-N 0 0 312.461 3.255 20 10 DGCDRN C[C@H](CCCC(F)(F)F)NC(=O)NCCc1ccc(N)cc1 ZINC000841886593 630473013 /nfs/dbraw/zinc/47/30/13/630473013.db2.gz UGGVIVORMOWYCO-LLVKDONJSA-N 0 0 317.355 3.232 20 10 DGCDRN Nc1ccc(CCNC(=O)NCC2(C3CCC3)CCC2)cc1 ZINC000841914403 630475130 /nfs/dbraw/zinc/47/51/30/630475130.db2.gz DVUNFUSJPQXQSO-UHFFFAOYSA-N 0 0 301.434 3.081 20 10 DGCDRN Nc1ccc(CCNC(=O)NC[C@H](c2ccccc2)C2CC2)cc1 ZINC000841908515 630475149 /nfs/dbraw/zinc/47/51/49/630475149.db2.gz WFJGGGDCSNBYSO-LJQANCHMSA-N 0 0 323.440 3.304 20 10 DGCDRN CCC[C@H]1[C@@H](C)CCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841955328 630476904 /nfs/dbraw/zinc/47/69/04/630476904.db2.gz ZDMOBVPGWHYGJD-YOEHRIQHSA-N 0 0 303.450 3.422 20 10 DGCDRN C[C@@H]1CN(C(=O)NCCCSc2nccs2)[C@@H](C)[C@H]1C ZINC000842181601 630503600 /nfs/dbraw/zinc/50/36/00/630503600.db2.gz YUCFOKIOOIPTON-WOPDTQHZSA-N 0 0 313.492 3.311 20 10 DGCDRN CCS[C@@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)C(C)C ZINC000104900729 630573954 /nfs/dbraw/zinc/57/39/54/630573954.db2.gz GLJMYYILDODKHN-IAQYHMDHSA-N 0 0 311.447 3.356 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CCS[C@@H]2C)c1 ZINC000842778898 630575357 /nfs/dbraw/zinc/57/53/57/630575357.db2.gz ONDFGJYDJFBRCC-SKDRFNHKSA-N 0 0 316.264 3.447 20 10 DGCDRN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1cc2n(n1)CCCC2 ZINC000842836029 630582749 /nfs/dbraw/zinc/58/27/49/630582749.db2.gz MDRGWWXGTJIGFF-ZDUSSCGKSA-N 0 0 316.424 3.275 20 10 DGCDRN CC/C(C)=C\C(=O)OC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000842873760 630588239 /nfs/dbraw/zinc/58/82/39/630588239.db2.gz JJPWMHUPBZUZIM-QKXCFHHRSA-N 0 0 303.402 3.421 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)[C@@H](C)CSC)C2)cc1 ZINC000842880106 630588456 /nfs/dbraw/zinc/58/84/56/630588456.db2.gz YJFORLVFZSBWGR-KBPBESRZSA-N 0 0 323.458 3.064 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)[C@H]3CC3(C)C)C2)cc1 ZINC000842877842 630588527 /nfs/dbraw/zinc/58/85/27/630588527.db2.gz DJPMOGZOQLSXPK-XJKSGUPXSA-N 0 0 303.402 3.111 20 10 DGCDRN C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1cc(Br)c(F)cc1[O-] ZINC000842928291 630594260 /nfs/dbraw/zinc/59/42/60/630594260.db2.gz JAIDBDXORDAAFM-HRDYMLBCSA-N 0 0 318.186 3.122 20 10 DGCDRN Nc1ccc(Cc2noc(-c3cccc([C@H]4CCOC4)c3)n2)cc1 ZINC000843158242 630622787 /nfs/dbraw/zinc/62/27/87/630622787.db2.gz AJIANSUTYHUYSM-INIZCTEOSA-N 0 0 321.380 3.414 20 10 DGCDRN CCCN(Cc1ccc(F)cc1)C(=O)Cc1ccc(N)cc1 ZINC000843386821 630651704 /nfs/dbraw/zinc/65/17/04/630651704.db2.gz NMLFSQCUDMOTOY-UHFFFAOYSA-N 0 0 300.377 3.389 20 10 DGCDRN C[N@H+](Cc1cccc(Cl)c1[O-])C[C@]1(O)CCc2ccccc21 ZINC000843422912 630656319 /nfs/dbraw/zinc/65/63/19/630656319.db2.gz YNORCXJHXOQYRT-GOSISDBHSA-N 0 0 317.816 3.311 20 10 DGCDRN CC1(C)CCC[C@H]1[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000843503304 630663016 /nfs/dbraw/zinc/66/30/16/630663016.db2.gz BPXKBSJCOYTBDF-WBVHZDCISA-N 0 0 300.446 3.486 20 10 DGCDRN CCON(C(=O)c1cc(C)n(-c2ccccn2)c1C)C(C)C ZINC000844078897 630708153 /nfs/dbraw/zinc/70/81/53/630708153.db2.gz KLUHUQWNYVSNDZ-UHFFFAOYSA-N 0 0 301.390 3.291 20 10 DGCDRN Cc1nnsc1CN(Cc1ccco1)Cc1ccccc1O ZINC000844306264 630717566 /nfs/dbraw/zinc/71/75/66/630717566.db2.gz HRTURGXIAZUMRM-UHFFFAOYSA-N 0 0 315.398 3.348 20 10 DGCDRN COc1ccc(N(C)Cc2csc(-c3cnn(C)c3)n2)cc1 ZINC000844353073 630720628 /nfs/dbraw/zinc/72/06/28/630720628.db2.gz FUUFDBYEUMJCHJ-UHFFFAOYSA-N 0 0 314.414 3.189 20 10 DGCDRN COc1ccc(N(C)CC(=O)NCCC2=CCCCC2)cc1 ZINC000844352924 630720651 /nfs/dbraw/zinc/72/06/51/630720651.db2.gz DFZQOALQHLPIQJ-UHFFFAOYSA-N 0 0 302.418 3.138 20 10 DGCDRN COc1ccc(N(C)CC(=O)N[C@H](c2ccccc2)C2CC2)cc1 ZINC000844353576 630720738 /nfs/dbraw/zinc/72/07/38/630720738.db2.gz ZCMDFRSIGGQVFA-HXUWFJFHSA-N 0 0 324.424 3.399 20 10 DGCDRN COc1ccc(N(C)Cc2nc(CCc3ccccc3)no2)cc1 ZINC000844352750 630720740 /nfs/dbraw/zinc/72/07/40/630720740.db2.gz GEUBFQHOOAVYQD-UHFFFAOYSA-N 0 0 323.396 3.500 20 10 DGCDRN CCC[C@H](C)[C@H](CO)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000844378707 630723003 /nfs/dbraw/zinc/72/30/03/630723003.db2.gz LUZQAJNOBXRZQM-BONVTDFDSA-N 0 0 313.825 3.135 20 10 DGCDRN COc1ccc(N(C)CCN(C)Cc2ccncc2Cl)cc1 ZINC000844400694 630724910 /nfs/dbraw/zinc/72/49/10/630724910.db2.gz GPMCPGIWPWPDCO-UHFFFAOYSA-N 0 0 319.836 3.312 20 10 DGCDRN COc1ccc(N(C)CCN(C)[C@@H](C)c2ncc(C)o2)cc1 ZINC000844402427 630724923 /nfs/dbraw/zinc/72/49/23/630724923.db2.gz XFTFOTZRBAXKGU-AWEZNQCLSA-N 0 0 303.406 3.121 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)c2ccccc2F)cc1 ZINC000844853568 630943058 /nfs/dbraw/zinc/94/30/58/630943058.db2.gz ZNCFRNLWHRNGCO-UHFFFAOYSA-N 0 0 316.376 3.043 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)c2cc(C)c(C)o2)cc1 ZINC000844855317 630945253 /nfs/dbraw/zinc/94/52/53/630945253.db2.gz UOFPBWNQIYTBLT-UHFFFAOYSA-N 0 0 316.401 3.113 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)C2=CCCCC2)cc1 ZINC000844857249 630947119 /nfs/dbraw/zinc/94/71/19/630947119.db2.gz ZLAPJUODTNVDHB-UHFFFAOYSA-N 0 0 302.418 3.090 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](F)C2)cc1 ZINC000844899507 630970119 /nfs/dbraw/zinc/97/01/19/630970119.db2.gz WTQRNPZRCYVWKO-OAHLLOKOSA-N 0 0 307.413 3.176 20 10 DGCDRN CN1CCCc2cc(CNC(=O)NC3CC4(CCC4)C3)ccc21 ZINC000844933248 630991092 /nfs/dbraw/zinc/99/10/92/630991092.db2.gz DKCNTMYKPGQOSN-UHFFFAOYSA-N 0 0 313.445 3.201 20 10 DGCDRN CCCC[C@@H](COC)NC(=O)NCc1cc(Cl)ccc1O ZINC000845005294 631031605 /nfs/dbraw/zinc/03/16/05/631031605.db2.gz JQEIFSHYJDTRCA-ZDUSSCGKSA-N 0 0 314.813 3.050 20 10 DGCDRN O=C(NCCC1(F)CCC1)NCc1cc(Cl)ccc1O ZINC000845199948 631131232 /nfs/dbraw/zinc/13/12/32/631131232.db2.gz XBFUYQSWGPPDBP-UHFFFAOYSA-N 0 0 300.761 3.127 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCCC[C@H]1F ZINC000845263743 631157433 /nfs/dbraw/zinc/15/74/33/631157433.db2.gz ZNPYFYOONLYJIJ-VXGBXAGGSA-N 0 0 300.761 3.126 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)NCC1CCC(F)CC1 ZINC000845281484 631159908 /nfs/dbraw/zinc/15/99/08/631159908.db2.gz IKIHHSQVZMZVQZ-UHFFFAOYSA-N 0 0 314.788 3.373 20 10 DGCDRN COc1cccc(CNC(=O)N[C@@H]2C[C@H]2CC(C)(C)C)c1O ZINC000845385823 631170067 /nfs/dbraw/zinc/17/00/67/631170067.db2.gz ROFVTSLXJXMXMF-QWHCGFSZSA-N 0 0 306.406 3.025 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@H]2C2CCCC2)c1 ZINC000845834342 631198250 /nfs/dbraw/zinc/19/82/50/631198250.db2.gz SLRVMJDGJJKXGW-KNXALSJPSA-N 0 0 303.402 3.404 20 10 DGCDRN COCOc1ccc(OC)cc1CN(C)c1ccc(OC)cc1 ZINC000845998772 631205124 /nfs/dbraw/zinc/20/51/24/631205124.db2.gz POXJJVBRPRFBSD-UHFFFAOYSA-N 0 0 317.385 3.323 20 10 DGCDRN COc1ccc(N(C)Cc2ccc(OC)c(OC)c2OC)cc1 ZINC000845997667 631205214 /nfs/dbraw/zinc/20/52/14/631205214.db2.gz BKJKXXYUMNIMFW-UHFFFAOYSA-N 0 0 317.385 3.357 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000846042701 631207755 /nfs/dbraw/zinc/20/77/55/631207755.db2.gz NXCATQGGBQBFJT-INIZCTEOSA-N 0 0 313.800 3.480 20 10 DGCDRN COc1cccc([C@@H](C)N[C@H](C(=O)OC(C)C)C(C)C)c1O ZINC000846169193 631213169 /nfs/dbraw/zinc/21/31/69/631213169.db2.gz PZVFUVMQVLWECX-DOMZBBRYSA-N 0 0 309.406 3.028 20 10 DGCDRN C[C@H]([NH2+]C[C@]1(CO)CCc2ccccc21)c1ccc(F)cc1[O-] ZINC000846177315 631213597 /nfs/dbraw/zinc/21/35/97/631213597.db2.gz AAKDTNCQUSDXOZ-DJJJIMSYSA-N 0 0 315.388 3.058 20 10 DGCDRN CC[C@@H]([NH2+]CC[C@]1(O)CCCOC1)c1cccc(Cl)c1[O-] ZINC000846210741 631215194 /nfs/dbraw/zinc/21/51/94/631215194.db2.gz CWNBCNLBBPQUAF-GDBMZVCRSA-N 0 0 313.825 3.018 20 10 DGCDRN Cc1cc(C(=O)N2CCCC(F)(F)C2)c(C)n1-c1ccccn1 ZINC000846360943 631231655 /nfs/dbraw/zinc/23/16/55/631231655.db2.gz UEYJHKUOBQNSCI-UHFFFAOYSA-N 0 0 319.355 3.360 20 10 DGCDRN CCCc1nc(C)c(C(=O)NCc2cc(Cl)ccc2O)o1 ZINC000846475270 631250725 /nfs/dbraw/zinc/25/07/25/631250725.db2.gz BJBPMSAQROSQBY-UHFFFAOYSA-N 0 0 308.765 3.225 20 10 DGCDRN CCCc1ncc(C(=O)NCc2cc(Cl)ccc2O)s1 ZINC000846478076 631251331 /nfs/dbraw/zinc/25/13/31/631251331.db2.gz YZUXIESSUXAEBI-UHFFFAOYSA-N 0 0 310.806 3.385 20 10 DGCDRN C[C@@H]1CCC[C@H](OCC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846477940 631251453 /nfs/dbraw/zinc/25/14/53/631251453.db2.gz XVUNOYNIOKVRTL-RISCZKNCSA-N 0 0 311.809 3.257 20 10 DGCDRN C[C@@H]1CCC[C@@H](OCC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846477936 631251658 /nfs/dbraw/zinc/25/16/58/631251658.db2.gz XVUNOYNIOKVRTL-BXUZGUMPSA-N 0 0 311.809 3.257 20 10 DGCDRN C[C@@]1(c2cccc(F)c2)CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000846660369 631281028 /nfs/dbraw/zinc/28/10/28/631281028.db2.gz VLVUDKJOFRNSOR-MRXNPFEDSA-N 0 0 305.374 3.397 20 10 DGCDRN C/C(=C/c1ccncc1)C(=O)NCc1ccc(N(C)C)cc1C ZINC000846876436 631336265 /nfs/dbraw/zinc/33/62/65/631336265.db2.gz SBTIVQKPFGFGIL-PTNGSMBKSA-N 0 0 309.413 3.176 20 10 DGCDRN C/C(=C\c1ccncc1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000847304605 631456879 /nfs/dbraw/zinc/45/68/79/631456879.db2.gz WUPVGYRHGVSVKD-FYWRMAATSA-N 0 0 309.413 3.210 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC1(C)CC=CC1 ZINC000847385611 631470443 /nfs/dbraw/zinc/47/04/43/631470443.db2.gz CXWHIHIQCWBBRS-OAHLLOKOSA-N 0 0 315.461 3.400 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C(F)F)nc2)c1 ZINC000847590852 631494147 /nfs/dbraw/zinc/49/41/47/631494147.db2.gz IRUGILDJPQDWPB-SECBINFHSA-N 0 0 322.311 3.224 20 10 DGCDRN CCCCCCOCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000107466343 631631665 /nfs/dbraw/zinc/63/16/65/631631665.db2.gz NCDWNHUEJKZJBP-UHFFFAOYSA-N 0 0 310.413 3.105 20 10 DGCDRN Cc1ccc(C(=O)N[C@H](C)C2CCC(F)(F)CC2)c(O)c1O ZINC000848346481 631647475 /nfs/dbraw/zinc/64/74/75/631647475.db2.gz CUTBEVCOODKNGY-SNVBAGLBSA-N 0 0 313.344 3.350 20 10 DGCDRN COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CC23CC3)c1O ZINC000848553926 631690746 /nfs/dbraw/zinc/69/07/46/631690746.db2.gz RNBQOBXQODYQCL-PELKAZGASA-N 0 0 312.207 3.366 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)c1ccc(F)cc1[O-] ZINC000848558125 631692032 /nfs/dbraw/zinc/69/20/32/631692032.db2.gz JUODOSFDTFWGBD-MEDUHNTESA-N 0 0 314.360 3.135 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000848575017 631699856 /nfs/dbraw/zinc/69/98/56/631699856.db2.gz KSJJAOSNYFUUAW-KGLIPLIRSA-N 0 0 312.816 3.291 20 10 DGCDRN C[C@H](C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)C(=O)[O-] ZINC000848640976 631715599 /nfs/dbraw/zinc/71/55/99/631715599.db2.gz XGMHRPUNRKIEFW-CYBMUJFWSA-N 0 0 318.442 3.195 20 10 DGCDRN CCc1cccc(CNc2ccc(N3CCOCC3)cc2)c1O ZINC000848892332 631774866 /nfs/dbraw/zinc/77/48/66/631774866.db2.gz SMWWCIDYANMPNI-UHFFFAOYSA-N 0 0 312.413 3.403 20 10 DGCDRN COc1ccc(N(C)Cc2cnc(Cl)n2C)cc1Cl ZINC000848901456 631779394 /nfs/dbraw/zinc/77/93/94/631779394.db2.gz SPZLKMZNFXLCSU-UHFFFAOYSA-N 0 0 300.189 3.372 20 10 DGCDRN CCc1cccc(CNc2ccc(C(=O)OC)cc2OC)c1O ZINC000848906807 631781881 /nfs/dbraw/zinc/78/18/81/631781881.db2.gz ZXPIWEHBPNPRQP-UHFFFAOYSA-N 0 0 315.369 3.362 20 10 DGCDRN CN(C)c1ccc(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)cc1F ZINC000848925321 631790087 /nfs/dbraw/zinc/79/00/87/631790087.db2.gz SQQAWYJYNJEUSP-MRXNPFEDSA-N 0 0 306.425 3.425 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000848927256 631791302 /nfs/dbraw/zinc/79/13/02/631791302.db2.gz DHYZRIGEKSNBJK-LSDHHAIUSA-N 0 0 312.816 3.291 20 10 DGCDRN COc1ccc(C[NH2+][C@H](C(=O)[O-])[C@H](C)c2ccccc2)cc1C ZINC000849230540 631859995 /nfs/dbraw/zinc/85/99/95/631859995.db2.gz IEHKPQMIRVPRKA-KDOFPFPSSA-N 0 0 313.397 3.350 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1csc(-c2ccoc2)n1 ZINC000108448062 631885645 /nfs/dbraw/zinc/88/56/45/631885645.db2.gz CTEWIDZKLHNBLC-UHFFFAOYSA-N 0 0 314.366 3.381 20 10 DGCDRN Cn1c(NCc2ccc(N3CCCCC3)cc2)nnc1C1CC1 ZINC000849347228 631899755 /nfs/dbraw/zinc/89/97/55/631899755.db2.gz XOXPBOMDNFEMEU-UHFFFAOYSA-N 0 0 311.433 3.295 20 10 DGCDRN CO[C@H](COC(=O)/C=C/c1ccc(O)c(O)c1)C1CCCCC1 ZINC000849745222 631957841 /nfs/dbraw/zinc/95/78/41/631957841.db2.gz MOOIRZDUCYFZPG-SYJIQKIWSA-N 0 0 320.385 3.250 20 10 DGCDRN CS(=O)(=O)CC1(CSc2ncc(Cl)s2)CCC1 ZINC000850000147 632025681 /nfs/dbraw/zinc/02/56/81/632025681.db2.gz KXSLEOVAVHPHDL-UHFFFAOYSA-N 0 0 311.881 3.104 20 10 DGCDRN COc1cc(CNCc2nnc(C)s2)c(O)c(C(C)(C)C)c1 ZINC000850241101 632090403 /nfs/dbraw/zinc/09/04/03/632090403.db2.gz SHBMOWDBEFXWBG-UHFFFAOYSA-N 0 0 321.446 3.148 20 10 DGCDRN C[C@@]1(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1(F)F ZINC000850379699 632133145 /nfs/dbraw/zinc/13/31/45/632133145.db2.gz VPHZLNYFCOYTCT-NSHDSACASA-N 0 0 306.696 3.089 20 10 DGCDRN C[C@H]([NH2+][C@@H]1C[C@H](O)c2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850528181 632181544 /nfs/dbraw/zinc/18/15/44/632181544.db2.gz JDORVKOQLNOXDV-FGDXXIHYSA-N 0 0 314.341 3.129 20 10 DGCDRN CC[C@H]([NH2+]Cc1nccc(OC)c1F)c1ccc(F)cc1[O-] ZINC000850536729 632185697 /nfs/dbraw/zinc/18/56/97/632185697.db2.gz MZVHHEXHDIQLEY-LBPRGKRZSA-N 0 0 308.328 3.315 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(Cl)cc1[O-] ZINC000850555924 632191760 /nfs/dbraw/zinc/19/17/60/632191760.db2.gz JYJCMTMCUKISCO-RYUDHWBXSA-N 0 0 324.852 3.343 20 10 DGCDRN C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000850585553 632202918 /nfs/dbraw/zinc/20/29/18/632202918.db2.gz ZICAIELZHGXLHW-JKDFXYPNSA-N 0 0 316.357 3.073 20 10 DGCDRN CCCCC[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(N)cc1 ZINC000850860299 632241054 /nfs/dbraw/zinc/24/10/54/632241054.db2.gz ZYNVDAAGBNSLOX-MRXNPFEDSA-N 0 0 317.433 3.169 20 10 DGCDRN C[C@@H](CNC(=O)NCCc1ccc(N)cc1)C1CCCCC1 ZINC000851664984 632467777 /nfs/dbraw/zinc/46/77/77/632467777.db2.gz NGPOIXVOIYWJKL-AWEZNQCLSA-N 0 0 303.450 3.327 20 10 DGCDRN CCOc1ccc(N(CC)Cc2cn(C(C)(C)C)nn2)cc1 ZINC000851828737 632504760 /nfs/dbraw/zinc/50/47/60/632504760.db2.gz BTQFNQDBWUTDES-UHFFFAOYSA-N 0 0 302.422 3.458 20 10 DGCDRN COc1ccc(N(Cc2onc(C)c2[N+](=O)[O-])C(C)C)cc1F ZINC000851835685 632505580 /nfs/dbraw/zinc/50/55/80/632505580.db2.gz DQZYWNOZTKSGPX-UHFFFAOYSA-N 0 0 323.324 3.454 20 10 DGCDRN CO[C@@H](CN(C)c1ccc(-c2nccs2)cc1)[C@@H]1CCOC1 ZINC000852165248 632565845 /nfs/dbraw/zinc/56/58/45/632565845.db2.gz AHUUXXRVNYAMGS-ZBFHGGJFSA-N 0 0 318.442 3.298 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)CC(C)C)C2)cc1 ZINC000852222633 632574309 /nfs/dbraw/zinc/57/43/09/632574309.db2.gz IJFYYUMAEHOABP-LSDHHAIUSA-N 0 0 319.449 3.008 20 10 DGCDRN COc1ccc(C)cc1COC(=O)c1ccc(C)c(O)c1O ZINC000110524232 632584569 /nfs/dbraw/zinc/58/45/69/632584569.db2.gz SBXKBOIMBMAEOW-UHFFFAOYSA-N 0 0 302.326 3.080 20 10 DGCDRN C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cscn1 ZINC000852516085 632615931 /nfs/dbraw/zinc/61/59/31/632615931.db2.gz LLFVKQIOCIUOPF-GFCCVEGCSA-N 0 0 318.446 3.112 20 10 DGCDRN COc1cccc(NCc2ccc(N(C)C)cc2)c1[N+](=O)[O-] ZINC000185118260 660202656 /nfs/dbraw/zinc/20/26/56/660202656.db2.gz AIJKUBLQCFATEG-UHFFFAOYSA-N 0 0 301.346 3.282 20 10 DGCDRN C[C@H]([NH2+]CCC(=O)Nc1ccccc1)c1ccc(F)cc1[O-] ZINC000185443404 660223319 /nfs/dbraw/zinc/22/33/19/660223319.db2.gz RPAGTPKFFQKRAK-LBPRGKRZSA-N 0 0 302.349 3.211 20 10 DGCDRN CN1CCCc2cc(CNC(=O)C3(c4ccccc4)CC3)ccc21 ZINC000058768821 659106479 /nfs/dbraw/zinc/10/64/79/659106479.db2.gz VDVUQYFDCJDOKZ-UHFFFAOYSA-N 0 0 320.436 3.417 20 10 DGCDRN CCCCO[C@@H]1C[C@H](N(C)C(=O)c2cccc(O)c2O)C1(C)C ZINC000185791523 660242339 /nfs/dbraw/zinc/24/23/39/660242339.db2.gz UVJNNKZMMMWQJU-LSDHHAIUSA-N 0 0 321.417 3.154 20 10 DGCDRN Cc1ccc(O)c([C@@H](C)Nc2ccc(N3CCOCC3)cn2)c1 ZINC000186250942 660354646 /nfs/dbraw/zinc/35/46/46/660354646.db2.gz LVBJJMBYPKXGKI-CQSZACIVSA-N 0 0 313.401 3.105 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/C1CCCCC1 ZINC000186440854 660436223 /nfs/dbraw/zinc/43/62/23/660436223.db2.gz GLLGDACHCYRQKI-AORWBKJGSA-N 0 0 303.402 3.282 20 10 DGCDRN Cc1ccccc1-n1cc(C(=O)N(C)Cc2ccccc2O)cn1 ZINC000069966927 660525465 /nfs/dbraw/zinc/52/54/65/660525465.db2.gz NEHVNXLUJCEWJT-UHFFFAOYSA-N 0 0 321.380 3.159 20 10 DGCDRN O=C(CSc1ccccc1Cl)NCc1ccccc1O ZINC000701128752 660656677 /nfs/dbraw/zinc/65/66/77/660656677.db2.gz JFOZEVFDAFBVBT-UHFFFAOYSA-N 0 0 307.802 3.454 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)CSC)cc1 ZINC000172492022 660670564 /nfs/dbraw/zinc/67/05/64/660670564.db2.gz VNBPBOIAUAYRFA-ZDUSSCGKSA-N 0 0 309.479 3.084 20 10 DGCDRN CC[C@@H](NCc1ncccn1)c1cc(Br)ccc1O ZINC000702331301 660721817 /nfs/dbraw/zinc/72/18/17/660721817.db2.gz SYLHOXOPTBWGLW-GFCCVEGCSA-N 0 0 322.206 3.186 20 10 DGCDRN Oc1cccc(Br)c1CN1CCCC(F)(F)C1 ZINC000707135818 660890049 /nfs/dbraw/zinc/89/00/49/660890049.db2.gz RHTOOBMRQXROPY-UHFFFAOYSA-N 0 0 306.150 3.386 20 10 DGCDRN CC[C@@](C)(O)C[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708098245 660918018 /nfs/dbraw/zinc/91/80/18/660918018.db2.gz FWZRNTKTHYSANU-GFCCVEGCSA-N 0 0 322.630 3.059 20 10 DGCDRN CC(C)(CCO)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708097927 660918020 /nfs/dbraw/zinc/91/80/20/660918020.db2.gz ARUHKSBZTQCMPQ-UHFFFAOYSA-N 0 0 322.630 3.059 20 10 DGCDRN C[N@H+](Cc1cc(Cl)cc(Br)c1[O-])[C@@H]1CCOC1 ZINC000708133574 660918322 /nfs/dbraw/zinc/91/83/22/660918322.db2.gz MCBOMNFHNGNPBB-SNVBAGLBSA-N 0 0 320.614 3.029 20 10 DGCDRN C[C@H]1N(Cc2cc(Br)ccc2O)CCOC1(C)C ZINC000708259242 660919471 /nfs/dbraw/zinc/91/94/71/660919471.db2.gz WVXVAYQNTBEKCC-SNVBAGLBSA-N 0 0 314.223 3.154 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H](C)C2CCCCC2)c(O)c1 ZINC000792954847 660997043 /nfs/dbraw/zinc/99/70/43/660997043.db2.gz CGAQLNTYRRRZDG-LBPRGKRZSA-N 0 0 306.406 3.169 20 10 DGCDRN COc1ccc(CNC(=O)NC2C[C@H](C)C[C@@H](C)C2)c(O)c1 ZINC000792954537 660997083 /nfs/dbraw/zinc/99/70/83/660997083.db2.gz LCGLZRFPYGJGJP-VXGBXAGGSA-N 0 0 306.406 3.025 20 10 DGCDRN CCC1(CNC(=O)NCc2ccc(OC)cc2O)CCCC1 ZINC000792997496 660999263 /nfs/dbraw/zinc/99/92/63/660999263.db2.gz XYKLXBXIWLBCBJ-UHFFFAOYSA-N 0 0 306.406 3.170 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cc3[nH]ccc3s2)cc1F ZINC000793281536 661020685 /nfs/dbraw/zinc/02/06/85/661020685.db2.gz RUAOFIJBIKQZOH-UHFFFAOYSA-N 0 0 317.389 3.365 20 10 DGCDRN CCNC(=O)N(C)c1cccc(NCc2cc(F)ccc2O)c1 ZINC000793318000 661023626 /nfs/dbraw/zinc/02/36/26/661023626.db2.gz NEQRSBPBCCJATP-UHFFFAOYSA-N 0 0 317.364 3.309 20 10 DGCDRN COc1ccc(CNCc2ncc(C(F)(F)F)s2)c(O)c1 ZINC000793386700 661029094 /nfs/dbraw/zinc/02/90/94/661029094.db2.gz XWXMEAFNQWOTFY-UHFFFAOYSA-N 0 0 318.320 3.166 20 10 DGCDRN COc1cc(NCc2cc(F)ccc2O)c(OC)c(C)c1OC ZINC000793391074 661029490 /nfs/dbraw/zinc/02/94/90/661029490.db2.gz OGARKSJEERCROT-UHFFFAOYSA-N 0 0 321.348 3.478 20 10 DGCDRN Cc1cc(C(=O)OC[C@H]2CCO[C@@H]2C)c(C)n1-c1ccccn1 ZINC000793418520 661032384 /nfs/dbraw/zinc/03/23/84/661032384.db2.gz CDQVSCGXJNOBCS-HUUCEWRRSA-N 0 0 314.385 3.071 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc3[nH]ccc3s2)c1 ZINC000793689936 661053663 /nfs/dbraw/zinc/05/36/63/661053663.db2.gz QKZPNHGTVNMMGU-VIFPVBQESA-N 0 0 316.382 3.435 20 10 DGCDRN CC[C@H](C)CC[C@@H](O)CC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000793690333 661053760 /nfs/dbraw/zinc/05/37/60/661053760.db2.gz VFFODAZFXTVHCQ-BFHYXJOUSA-N 0 0 323.433 3.155 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2[nH]ccc2s1 ZINC000793795489 661057707 /nfs/dbraw/zinc/05/77/07/661057707.db2.gz DZIDPDGQULIHRM-SECBINFHSA-N 0 0 316.382 3.002 20 10 DGCDRN CC1CCC(C)(CNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000794024398 661066176 /nfs/dbraw/zinc/06/61/76/661066176.db2.gz QSSKNULCDIEYLG-GQCTYLIASA-N 0 0 303.402 3.444 20 10 DGCDRN COc1ccc(CNC(=O)Cc2cccc3ccccc32)c(O)c1 ZINC000794379662 661081724 /nfs/dbraw/zinc/08/17/24/661081724.db2.gz UUAPGUGFEUYZEH-UHFFFAOYSA-N 0 0 321.376 3.413 20 10 DGCDRN COc1ccc(CNC(=O)c2ccc(-c3ccccc3)[nH]2)c(O)c1 ZINC000794380392 661081733 /nfs/dbraw/zinc/08/17/33/661081733.db2.gz BJGJLQADCZSRKI-UHFFFAOYSA-N 0 0 322.364 3.326 20 10 DGCDRN COc1ccc(CNC(=O)c2c(C)[nH]c3ccccc32)c(O)c1 ZINC000794378081 661081767 /nfs/dbraw/zinc/08/17/67/661081767.db2.gz PAFUWELMNGXBIZ-UHFFFAOYSA-N 0 0 310.353 3.121 20 10 DGCDRN COc1ccc(CNC(=O)CCc2c[nH]c3ccccc23)c(O)c1 ZINC000794376894 661081887 /nfs/dbraw/zinc/08/18/87/661081887.db2.gz LJONBFXUCGUTSV-UHFFFAOYSA-N 0 0 324.380 3.131 20 10 DGCDRN CCSc1ccccc1C(=O)NCc1ccc(OC)cc1O ZINC000794383486 661082102 /nfs/dbraw/zinc/08/21/02/661082102.db2.gz PKCMBPSRZAISTJ-UHFFFAOYSA-N 0 0 317.410 3.443 20 10 DGCDRN CCSc1cccc(C(=O)NCc2ccc(OC)cc2O)c1 ZINC000794387132 661082323 /nfs/dbraw/zinc/08/23/23/661082323.db2.gz DRGFQVUSEQMAGJ-UHFFFAOYSA-N 0 0 317.410 3.443 20 10 DGCDRN COc1ccc(CNC(=O)CCCc2ccc(C)s2)c(O)c1 ZINC000794387619 661082663 /nfs/dbraw/zinc/08/26/63/661082663.db2.gz MSTBPCKEZAADFB-UHFFFAOYSA-N 0 0 319.426 3.410 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)CCCOC(C)(C)C)cc1 ZINC000794627854 661095267 /nfs/dbraw/zinc/09/52/67/661095267.db2.gz GQXLIXWOAMNQEZ-UHFFFAOYSA-N 0 0 306.450 3.306 20 10 DGCDRN CCCN1C(=O)N(Cc2ccc(N(CC)CC)cc2)C(=O)[C@H]1C ZINC000794771744 661104632 /nfs/dbraw/zinc/10/46/32/661104632.db2.gz JSVZGMWQDCCOHH-CQSZACIVSA-N 0 0 317.433 3.096 20 10 DGCDRN COc1ccc(CNc2ncnc3scc(C)c32)c(O)c1 ZINC000794788917 661105295 /nfs/dbraw/zinc/10/52/95/661105295.db2.gz VYSGHMLOUUMLNZ-UHFFFAOYSA-N 0 0 301.371 3.326 20 10 DGCDRN CCn1ncnc1C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000794840190 661108662 /nfs/dbraw/zinc/10/86/62/661108662.db2.gz HCBUZRBTEQPENL-MRVPVSSYSA-N 0 0 315.204 3.161 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCC(F)(F)C1 ZINC000794928657 661114048 /nfs/dbraw/zinc/11/40/48/661114048.db2.gz YRBBDINLOCTGHT-CQSZACIVSA-N 0 0 308.372 3.338 20 10 DGCDRN CN(C)c1ccc(C=Cc2nccc(=O)[nH]2)c(C(F)(F)F)c1 ZINC000794942474 661115593 /nfs/dbraw/zinc/11/55/93/661115593.db2.gz NJHDSEPHCGTBLM-GQCTYLIASA-N 0 0 309.291 3.437 20 10 DGCDRN C[C@H](NC(=O)C(C)(C)C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000795271118 661137800 /nfs/dbraw/zinc/13/78/00/661137800.db2.gz QYNRDFRCKAXLSD-AWEZNQCLSA-N 0 0 318.461 3.383 20 10 DGCDRN COc1ccc(CNc2nc(-c3ccc(C)cc3)no2)c(O)c1 ZINC000795292088 661138613 /nfs/dbraw/zinc/13/86/13/661138613.db2.gz LSDVXGUUGYPUIP-UHFFFAOYSA-N 0 0 311.341 3.371 20 10 DGCDRN COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1SC ZINC000049488581 655524741 /nfs/dbraw/zinc/52/47/41/655524741.db2.gz LPSVPKQVCDTZJU-XFFZJAGNSA-N 0 0 311.453 3.248 20 10 DGCDRN O=C(/C=C\c1cncc(F)c1)N1CCCc2cc(F)cc(F)c21 ZINC000254994704 655555761 /nfs/dbraw/zinc/55/57/61/655555761.db2.gz QSSNFTRRHAGIBN-ARJAWSKDSA-N 0 0 318.298 3.492 20 10 DGCDRN COc1cccc2c1N(C(=O)/C=C\c1cncc(C)c1)CCC2 ZINC000255024106 655563598 /nfs/dbraw/zinc/56/35/98/655563598.db2.gz BGHGARFOZCLSAD-HJWRWDBZSA-N 0 0 308.381 3.391 20 10 DGCDRN CN1C(=O)/C(=C/c2ccccc2OC(F)(F)F)SC1=S ZINC000255049856 655577687 /nfs/dbraw/zinc/57/76/87/655577687.db2.gz ZKGHPTBPFNNPAY-TWGQIWQCSA-N 0 0 319.329 3.416 20 10 DGCDRN CCN(CC)c1ccc(C=Cc2nc3c(cnn3C)c(=O)[nH]2)cc1 ZINC000255132347 655607901 /nfs/dbraw/zinc/60/79/01/655607901.db2.gz GHKIIDIBRKFEOT-FLIBITNWSA-N 0 0 323.400 3.086 20 10 DGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1C[C@@H]1C ZINC000175842296 655610212 /nfs/dbraw/zinc/61/02/12/655610212.db2.gz JOSFSOIDAKIMDN-JOYOIKCWSA-N 0 0 312.207 3.159 20 10 DGCDRN O=C1/C(=C\c2ccsc2)SC(=S)N1Cc1ccon1 ZINC000178018074 655697080 /nfs/dbraw/zinc/69/70/80/655697080.db2.gz QOLWEBKAHKIQKK-BJMVGYQFSA-N 0 0 308.409 3.138 20 10 DGCDRN CN1CCCc2cc(CNC(=O)CCCOC(C)(C)C)ccc21 ZINC000795831739 661174797 /nfs/dbraw/zinc/17/47/97/661174797.db2.gz ADDSGYOTGXZXHJ-UHFFFAOYSA-N 0 0 318.461 3.281 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)CCOc2ccccc2)c1 ZINC000157885519 655706326 /nfs/dbraw/zinc/70/63/26/655706326.db2.gz AZJOQDMCQSWEET-ZDUSSCGKSA-N 0 0 315.369 3.047 20 10 DGCDRN O=S(=O)(NCc1ccccc1O)c1csc2ccccc21 ZINC000795850473 661175927 /nfs/dbraw/zinc/17/59/27/661175927.db2.gz KKTXZIYLPUVIDN-UHFFFAOYSA-N 0 0 319.407 3.085 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@](C)(C1CC1)C(F)(F)F ZINC000933595643 655724320 /nfs/dbraw/zinc/72/43/20/655724320.db2.gz TZFBBSYQCHOQDN-CQSZACIVSA-N 0 0 316.323 3.265 20 10 DGCDRN O=C1N=C(NC2CCCCC2)SC1=Cc1ccc(O)c(F)c1 ZINC000255389827 655726580 /nfs/dbraw/zinc/72/65/80/655726580.db2.gz OOXGLKAQLJAKTC-ZROIWOOFSA-N 0 0 320.389 3.424 20 10 DGCDRN O=C(CN1CC[C@@H]1CO)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000934028471 655743433 /nfs/dbraw/zinc/74/34/33/655743433.db2.gz VCEFCNUDGLZQSH-QGZVFWFLSA-N 0 0 324.384 3.107 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)c(F)c1 ZINC000176268120 655746714 /nfs/dbraw/zinc/74/67/14/655746714.db2.gz IADMJCKINSDYQC-UHFFFAOYSA-N 0 0 304.340 3.269 20 10 DGCDRN COc1c([O-])c(C[NH2+]C[C@@H]2CCC[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000795999121 661184416 /nfs/dbraw/zinc/18/44/16/661184416.db2.gz HAFJZVBPOQZKRJ-AVGNSLFASA-N 0 0 322.405 3.471 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2CCC[C@H]2O)c(C)n1-c1ccccc1C ZINC000178604065 655784503 /nfs/dbraw/zinc/78/45/03/655784503.db2.gz PHHTYPPUOJQJIV-SJLPKXTDSA-N 0 0 312.413 3.046 20 10 DGCDRN CC(C)Cc1ncc(C(=O)N(C)Cc2ccccc2O)s1 ZINC000934704944 655796195 /nfs/dbraw/zinc/79/61/95/655796195.db2.gz LTDVEZFISXOERT-UHFFFAOYSA-N 0 0 304.415 3.319 20 10 DGCDRN O=C1NC(=S)S/C1=C/c1ccc(CSC(F)F)o1 ZINC000255572113 655818365 /nfs/dbraw/zinc/81/83/65/655818365.db2.gz PRUARROSAJBIII-XVNBXDOJSA-N 0 0 307.368 3.224 20 10 DGCDRN Cc1cc(C(=O)NC(C)(C)CCO)c(C)n1-c1ccc(F)cc1 ZINC000179429154 655893138 /nfs/dbraw/zinc/89/31/38/655893138.db2.gz HPKNBPXHOOWWGW-UHFFFAOYSA-N 0 0 318.392 3.124 20 10 DGCDRN O=C(/C=C\c1cncc(F)c1)N1CCCc2c(F)ccc(F)c21 ZINC000255779343 655906406 /nfs/dbraw/zinc/90/64/06/655906406.db2.gz WVAAWDWJQDNGLR-UTCJRWHESA-N 0 0 318.298 3.492 20 10 DGCDRN C[C@@H]1[C@@H](C)CCCN1C(=O)NCCCSc1nccs1 ZINC000177853148 655948365 /nfs/dbraw/zinc/94/83/65/655948365.db2.gz FNMRQOJWFADWLZ-NWDGAFQWSA-N 0 0 313.492 3.455 20 10 DGCDRN C[C@H]1CCCN(C(=O)NCCCSc2nccs2)[C@H]1C ZINC000177853170 655948404 /nfs/dbraw/zinc/94/84/04/655948404.db2.gz FNMRQOJWFADWLZ-RYUDHWBXSA-N 0 0 313.492 3.455 20 10 DGCDRN O=C1/C(=C/c2cccc(F)c2)SC(=S)N1Cc1ccon1 ZINC000178018500 655952589 /nfs/dbraw/zinc/95/25/89/655952589.db2.gz XAYXXDQNGYZHHB-GHXNOFRVSA-N 0 0 320.370 3.215 20 10 DGCDRN C[C@H](Nc1ccc2c(c1)NC(=O)[C@H](C)O2)c1cc(F)ccc1O ZINC000176982930 655970745 /nfs/dbraw/zinc/97/07/45/655970745.db2.gz NRIWZRLSKLVOSX-UWVGGRQHSA-N 0 0 316.332 3.424 20 10 DGCDRN CC[C@H](CSC)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000181451330 655998706 /nfs/dbraw/zinc/99/87/06/655998706.db2.gz DQPVQLRATWNHDM-CYBMUJFWSA-N 0 0 322.474 3.212 20 10 DGCDRN CNC(=O)c1cccc(NCc2cc(Cl)ccc2O)c1C ZINC000037107562 661215864 /nfs/dbraw/zinc/21/58/64/661215864.db2.gz FHSKRHBOVKZUKB-UHFFFAOYSA-N 0 0 304.777 3.326 20 10 DGCDRN Cc1cnc(CCCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000828861437 661233046 /nfs/dbraw/zinc/23/30/46/661233046.db2.gz PICHRMZCMKJBSD-AWEZNQCLSA-N 0 0 315.417 3.249 20 10 DGCDRN CCCc1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)no1 ZINC000828860795 661233058 /nfs/dbraw/zinc/23/30/58/661233058.db2.gz HOXVFJBBJVLDGA-GFCCVEGCSA-N 0 0 301.390 3.184 20 10 DGCDRN Cc1cnc(N(C)Cc2ccccc2O)c(Br)c1 ZINC000194325368 656199980 /nfs/dbraw/zinc/19/99/80/656199980.db2.gz GGQAQXCTBSXOKV-UHFFFAOYSA-N 0 0 307.191 3.495 20 10 DGCDRN CCCC[N@H+](CCOC)Cc1cccc(Br)c1[O-] ZINC000093323046 656308303 /nfs/dbraw/zinc/30/83/03/656308303.db2.gz DVSAQUQAJKTLAB-UHFFFAOYSA-N 0 0 316.239 3.403 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@@H](C)C2CCCCC2)c1 ZINC000074261696 661249267 /nfs/dbraw/zinc/24/92/67/661249267.db2.gz IHQGFXCNDQUPIY-LBPRGKRZSA-N 0 0 306.406 3.169 20 10 DGCDRN CCN(CC)c1ccc(NC(=O)c2cccc(O)c2O)cc1 ZINC000184773062 656425453 /nfs/dbraw/zinc/42/54/53/656425453.db2.gz BWZWXWDAMYBZEL-UHFFFAOYSA-N 0 0 300.358 3.196 20 10 DGCDRN O=C(Nc1cccc(OC(F)(F)F)c1)c1cccc(O)c1O ZINC000184771415 656425477 /nfs/dbraw/zinc/42/54/77/656425477.db2.gz XCWNAZPWIGNILL-UHFFFAOYSA-N 0 0 313.231 3.249 20 10 DGCDRN CCCCc1nnc(NC(=O)N2Cc3cccc(O)c3C2)s1 ZINC000929252854 661291257 /nfs/dbraw/zinc/29/12/57/661291257.db2.gz YEDSABNIBMZTHD-UHFFFAOYSA-N 0 0 318.402 3.134 20 10 DGCDRN CCN1C(=O)/C(=C/C=C\c2ccccc2[N+](=O)[O-])SC1=S ZINC000006470258 656742957 /nfs/dbraw/zinc/74/29/57/656742957.db2.gz TXJSFYCYKJAIGC-ZSIOEQIDSA-N 0 0 320.395 3.372 20 10 DGCDRN CCNC(=O)c1cccc(N[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000320002765 656828949 /nfs/dbraw/zinc/82/89/49/656828949.db2.gz HEVGIVNKSXTROV-LBPRGKRZSA-N 0 0 314.385 3.324 20 10 DGCDRN CC(C)Oc1ccccc1[C@@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000319558423 657081852 /nfs/dbraw/zinc/08/18/52/657081852.db2.gz FNNGZEIFNZJGQP-CQSZACIVSA-N 0 0 312.413 3.476 20 10 DGCDRN CC[C@H]1CN(Cc2cc(OC)cc(C(C)(C)C)c2O)CCO1 ZINC000178849192 657083809 /nfs/dbraw/zinc/08/38/09/657083809.db2.gz ISNDMQXQPPFCDA-AWEZNQCLSA-N 0 0 307.434 3.309 20 10 DGCDRN O=c1[nH]c(CSc2nccs2)nc2ccc(Cl)cc12 ZINC000048874956 657308992 /nfs/dbraw/zinc/30/89/92/657308992.db2.gz LCGVZIAZHKMSMR-UHFFFAOYSA-N 0 0 309.803 3.325 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2nccc3ccccc32)cc1F ZINC000303000776 657507670 /nfs/dbraw/zinc/50/76/70/657507670.db2.gz HTDCCOQFNSKNEK-UHFFFAOYSA-N 0 0 323.371 3.370 20 10 DGCDRN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@H]1CCC[C@H]1O ZINC000305743465 657995944 /nfs/dbraw/zinc/99/59/44/657995944.db2.gz KAKGMIGYFIHDAY-NOZJJQNGSA-N 0 0 304.217 3.292 20 10 DGCDRN CC(C)(NC(=O)NCCc1ccc(N)cc1)c1cccs1 ZINC000841954566 658121728 /nfs/dbraw/zinc/12/17/28/658121728.db2.gz ODFPSBZEOGSUTH-UHFFFAOYSA-N 0 0 303.431 3.107 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC[C@@H](C)SC)cc1 ZINC000179113328 658140540 /nfs/dbraw/zinc/14/05/40/658140540.db2.gz OBFIPWSNUULCBG-CYBMUJFWSA-N 0 0 309.479 3.084 20 10 DGCDRN COc1ccc(O)c(CNc2ccc3c(c2)NC(=O)CS3)c1 ZINC000237364153 658373378 /nfs/dbraw/zinc/37/33/78/658373378.db2.gz DCOGHVMXTFJOEB-UHFFFAOYSA-N 0 0 316.382 3.057 20 10 DGCDRN OCc1cccc(NCc2cccc(Br)c2O)c1 ZINC000042412011 658772197 /nfs/dbraw/zinc/77/21/97/658772197.db2.gz GURWBVKYOWWNGZ-UHFFFAOYSA-N 0 0 308.175 3.259 20 10 DGCDRN CC(C)CCNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000042905603 658804324 /nfs/dbraw/zinc/80/43/24/658804324.db2.gz VWVBBJVSZDAAOW-UHFFFAOYSA-N 0 0 321.490 3.085 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@H]2c2ccncc2)cc1 ZINC000031728842 658845266 /nfs/dbraw/zinc/84/52/66/658845266.db2.gz ITUVGFGOTHALGO-SFHVURJKSA-N 0 0 324.428 3.194 20 10 DGCDRN COc1cc(CN2CCOCC2(C)C)c(O)c(C(C)(C)C)c1 ZINC000164213651 658921983 /nfs/dbraw/zinc/92/19/83/658921983.db2.gz MAWQGVIEXZFERX-UHFFFAOYSA-N 0 0 307.434 3.309 20 10 DGCDRN Cc1cc(C(=O)N[C@@]2(C)CCOC2)c(C)n1-c1ccccc1C ZINC000157115414 658988672 /nfs/dbraw/zinc/98/86/72/658988672.db2.gz FZWJURQEPOQHLE-IBGZPJMESA-N 0 0 312.413 3.311 20 10 DGCDRN CC(C)C[C@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000157872687 659119771 /nfs/dbraw/zinc/11/97/71/659119771.db2.gz BEOKUPLYQOXXBZ-HNNXBMFYSA-N 0 0 301.434 3.297 20 10 DGCDRN CCNC(=S)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000059025155 659125883 /nfs/dbraw/zinc/12/58/83/659125883.db2.gz UNMIUURNKDYYMG-UHFFFAOYSA-N 0 0 317.458 3.242 20 10 DGCDRN Oc1cc2c(cc1CNc1ccc3ncsc3c1)OCO2 ZINC000226652009 659134437 /nfs/dbraw/zinc/13/44/37/659134437.db2.gz WBDQTYZWKFDBHZ-UHFFFAOYSA-N 0 0 300.339 3.343 20 10 DGCDRN Cc1ncccc1/C=C1\SC(=S)N(c2cccnc2)C1=O ZINC000171418152 659280224 /nfs/dbraw/zinc/28/02/24/659280224.db2.gz IGTBEQHQLBWUHC-JYRVWZFOSA-N 0 0 313.407 3.191 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)/C=C\c2cccs2)cc1 ZINC000229766381 659280910 /nfs/dbraw/zinc/28/09/10/659280910.db2.gz OQFUEXFKEQXQFH-KHPPLWFESA-N 0 0 300.427 3.486 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCc2ccccc2)c1 ZINC000171720564 659295254 /nfs/dbraw/zinc/29/52/54/659295254.db2.gz CLTZDIRYXXTZGZ-ZDUSSCGKSA-N 0 0 314.385 3.004 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2ccc(-c3ccccc3)[nH]2)c1 ZINC000172043989 659312024 /nfs/dbraw/zinc/31/20/24/659312024.db2.gz GOIVCHQJYZOQKM-UHFFFAOYSA-N 0 0 322.364 3.326 20 10 DGCDRN CCn1cc(C(=O)NCc2cc(OC)ccc2O)c2ccccc21 ZINC000172042728 659312108 /nfs/dbraw/zinc/31/21/08/659312108.db2.gz DLZALJFXEBHMMV-UHFFFAOYSA-N 0 0 324.380 3.305 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)c3ccccc3C)C2)cc1 ZINC000062574863 659336612 /nfs/dbraw/zinc/33/66/12/659336612.db2.gz PRFNGKVRVUBBCR-MRXNPFEDSA-N 0 0 324.424 3.260 20 10 DGCDRN CC[C@H](C)[C@@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000172698039 659350830 /nfs/dbraw/zinc/35/08/30/659350830.db2.gz VGYXKOZKFWTIIL-LSDHHAIUSA-N 0 0 301.434 3.297 20 10 DGCDRN CCCc1ncc(C(=O)N[C@H](C)c2cc(OC)ccc2O)s1 ZINC000173131050 659374970 /nfs/dbraw/zinc/37/49/70/659374970.db2.gz TVMRKLAXZMPQFF-SNVBAGLBSA-N 0 0 320.414 3.301 20 10 DGCDRN C[C@@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@@H]1C ZINC000173290095 659377788 /nfs/dbraw/zinc/37/77/88/659377788.db2.gz FZBAKMPCJMPPML-HZPDHXFCSA-N 0 0 313.445 3.393 20 10 DGCDRN COc1ccc(N(C)CCOc2ccc(F)cc2)cc1OC ZINC000063616790 659400432 /nfs/dbraw/zinc/40/04/32/659400432.db2.gz KQGHNAHWZIKLIG-UHFFFAOYSA-N 0 0 305.349 3.358 20 10 DGCDRN COc1ccc(N(C)CCOc2cccc(C#N)c2)cc1OC ZINC000063617966 659400469 /nfs/dbraw/zinc/40/04/69/659400469.db2.gz YWCYCYWYFUEQKY-UHFFFAOYSA-N 0 0 312.369 3.091 20 10 DGCDRN CCc1nc(NC(=O)NCc2cccc(OC)c2O)sc1C ZINC000174344643 659430750 /nfs/dbraw/zinc/43/07/50/659430750.db2.gz JZRQUWDDIPYVSN-UHFFFAOYSA-N 0 0 321.402 3.050 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CC[C@H]2CC[C@@H](C)O2)cc1 ZINC000175529150 659924059 /nfs/dbraw/zinc/92/40/59/659924059.db2.gz AIOXMBSMLLRUGN-CRAIPNDOSA-N 0 0 318.461 3.497 20 10 DGCDRN CCOCCC1(CNC(=O)c2ccc(C)c(O)c2O)CCCC1 ZINC000179545813 659932808 /nfs/dbraw/zinc/93/28/08/659932808.db2.gz NWZRYUQYMNDWEP-UHFFFAOYSA-N 0 0 321.417 3.123 20 10 DGCDRN Cc1cc(N2CCCC2)ccc1NC(=O)Cc1ccc(N)cc1 ZINC000237669432 659934780 /nfs/dbraw/zinc/93/47/80/659934780.db2.gz AALCPFVBKPKKSX-UHFFFAOYSA-N 0 0 309.413 3.359 20 10 DGCDRN Fc1ccc(NCc2ccc(N3CCOCC3)cc2)c(F)c1 ZINC000237854579 659945401 /nfs/dbraw/zinc/94/54/01/659945401.db2.gz YZQBYHKIHYEFGL-UHFFFAOYSA-N 0 0 304.340 3.414 20 10 DGCDRN Nc1ccc(CC(=O)N[C@@H]2CCSc3c(F)cccc32)cc1 ZINC000237911873 659948960 /nfs/dbraw/zinc/94/89/60/659948960.db2.gz DRQRNEWFUHQCQJ-OAHLLOKOSA-N 0 0 316.401 3.304 20 10 DGCDRN C[C@H](c1cccc(O)c1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181198095 659986365 /nfs/dbraw/zinc/98/63/65/659986365.db2.gz WLSBKIGIRAUXJH-YPUOHESYSA-N 0 0 313.353 3.036 20 10 DGCDRN CC[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CC[C@H]1[NH3+] ZINC000251847910 660008887 /nfs/dbraw/zinc/00/88/87/660008887.db2.gz RMBLKQAFSIOOPO-NOZJJQNGSA-N 0 0 303.233 3.258 20 10 DGCDRN CC[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000069638159 660012218 /nfs/dbraw/zinc/01/22/18/660012218.db2.gz HWBDFXJRHXWVGQ-QAPCUYQASA-N 0 0 318.461 3.306 20 10 DGCDRN Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)cc2F)c(C)c1 ZINC000181625603 660013016 /nfs/dbraw/zinc/01/30/16/660013016.db2.gz GFENLUBTPOTAQH-UHFFFAOYSA-N 0 0 309.362 3.257 20 10 DGCDRN C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1C[NH3+] ZINC000253193323 660030907 /nfs/dbraw/zinc/03/09/07/660030907.db2.gz OMKRMGYFWZUHIF-MWLCHTKSSA-N 0 0 303.233 3.116 20 10 DGCDRN Cc1cc(CCCC(=O)NCc2ccc(O)c(O)c2)c(C)s1 ZINC000182513537 660059222 /nfs/dbraw/zinc/05/92/22/660059222.db2.gz VCGGQXQBWKLLPV-UHFFFAOYSA-N 0 0 319.426 3.415 20 10 DGCDRN CCC(CC)[C@H]1C[C@@H](NC(=O)c2ccc(C)c(O)c2O)CCO1 ZINC000183003584 660097591 /nfs/dbraw/zinc/09/75/91/660097591.db2.gz PBULEZLURCYPBU-DZGCQCFKSA-N 0 0 321.417 3.120 20 10 DGCDRN COC(=O)COc1ccc(N(C)Cc2sccc2C)cc1 ZINC000183226809 660105517 /nfs/dbraw/zinc/10/55/17/660105517.db2.gz NHSQDIKDJZIMEE-UHFFFAOYSA-N 0 0 305.399 3.245 20 10 DGCDRN C/C(=C\C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC000183433524 660111609 /nfs/dbraw/zinc/11/16/09/660111609.db2.gz WMXRPGZIVVLCJG-JWAFFJSPSA-N 0 0 311.381 3.249 20 10 DGCDRN CN1CCCc2cc(CNC(=O)CCc3ccc(O)cc3)ccc21 ZINC000183511643 660121147 /nfs/dbraw/zinc/12/11/47/660121147.db2.gz UKHICIIWDABTCK-UHFFFAOYSA-N 0 0 324.424 3.024 20 10 DGCDRN Cc1ccnc(NC(=O)NCCCSc2nccs2)c1 ZINC000184060080 660154239 /nfs/dbraw/zinc/15/42/39/660154239.db2.gz LUSJUUKFTZEQSU-UHFFFAOYSA-N 0 0 308.432 3.150 20 10 DGCDRN CC(C)[C@H]1C[C@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000929531660 661315289 /nfs/dbraw/zinc/31/52/89/661315289.db2.gz HTDWHYWEGMFINF-SJLPKXTDSA-N 0 0 318.461 3.162 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)[C@@]23CCO[C@H]2CCCC3)cc1 ZINC000929533368 661315469 /nfs/dbraw/zinc/31/54/69/661315469.db2.gz SFKLNWWMXLCEJD-HKUYNNGSSA-N 0 0 316.445 3.060 20 10 DGCDRN COc1ccc(N(Cc2noc3c2COCC3)CC(C)C)cc1 ZINC000929920229 661350165 /nfs/dbraw/zinc/35/01/65/661350165.db2.gz CTIBOWHKOXBREA-UHFFFAOYSA-N 0 0 316.401 3.419 20 10 DGCDRN CCOC(=O)/C=C/CN(Cc1ccco1)Cc1ccccc1O ZINC000929969319 661354670 /nfs/dbraw/zinc/35/46/70/661354670.db2.gz LWFIEGZYFQOMDJ-BJMVGYQFSA-N 0 0 315.369 3.107 20 10 DGCDRN CN(C[C@@H]1C[C@H]2COC[C@H]2O1)c1ccc(-c2nccs2)cc1 ZINC000930709816 661423432 /nfs/dbraw/zinc/42/34/32/661423432.db2.gz IJDPOEDNKYMSGC-CWRNSKLLSA-N 0 0 316.426 3.050 20 10 DGCDRN CC[C@H](C)n1nc(NC(=O)N2Cc3cccc(O)c3C2)cc1C ZINC000930719043 661424500 /nfs/dbraw/zinc/42/45/00/661424500.db2.gz YFJZOWJRSZMSOZ-NSHDSACASA-N 0 0 314.389 3.416 20 10 DGCDRN COc1cc2c(c(OC)c1)N(Cc1ccc(Cl)nn1)CCC2 ZINC000930723364 661424924 /nfs/dbraw/zinc/42/49/24/661424924.db2.gz WVSIICQMBWUAGC-UHFFFAOYSA-N 0 0 319.792 3.100 20 10 DGCDRN C[C@H](NC(=O)[C@@]1(C)C=CCC1)c1ccc(N2CCOCC2)cc1 ZINC000930745223 661426667 /nfs/dbraw/zinc/42/66/67/661426667.db2.gz UCNWTHDYUCEEHO-KXBFYZLASA-N 0 0 314.429 3.057 20 10 DGCDRN CC(C)n1ccc(NC(=O)NCc2cccc(Cl)c2O)n1 ZINC000931245072 661461510 /nfs/dbraw/zinc/46/15/10/661461510.db2.gz IAKXQXXHZNEIKH-UHFFFAOYSA-N 0 0 308.769 3.145 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCO[C@H](C(C)C)C1 ZINC000932944598 661611146 /nfs/dbraw/zinc/61/11/46/661611146.db2.gz YFCZNJUWXGGZSM-YJBOKZPZSA-N 0 0 318.461 3.128 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cc(Cl)ncc1F ZINC000932942857 661611212 /nfs/dbraw/zinc/61/12/12/661611212.db2.gz HBZPEHWIWLYBFD-UHFFFAOYSA-N 0 0 321.783 3.179 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)Nc1cnn(C2CCC2)c1 ZINC000934306154 661695568 /nfs/dbraw/zinc/69/55/68/661695568.db2.gz MLLAGUGNVGFNJT-UHFFFAOYSA-N 0 0 320.780 3.289 20 10 DGCDRN C[C@H](NC(=O)C[C@H]1CC[C@@H](C2CC2)O1)c1ccc(N(C)C)cc1 ZINC000935462071 661787813 /nfs/dbraw/zinc/78/78/13/661787813.db2.gz CZXVDQNADCKHBT-VHSSKADRSA-N 0 0 316.445 3.278 20 10 DGCDRN COc1ccc(NCc2cc3c(cc2O)OCO3)cc1Cl ZINC000042879120 661842112 /nfs/dbraw/zinc/84/21/12/661842112.db2.gz USUUAIZIZPHWHU-UHFFFAOYSA-N 0 0 307.733 3.395 20 10 DGCDRN CCOc1ccc(N(C)C[C@@H](O)COCc2cccs2)cc1 ZINC000157305615 661867134 /nfs/dbraw/zinc/86/71/34/661867134.db2.gz NUZGYWNCNAELSM-OAHLLOKOSA-N 0 0 321.442 3.161 20 10 DGCDRN C[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000046984119 661871259 /nfs/dbraw/zinc/87/12/59/661871259.db2.gz IIKAUHOAHCYFKE-OAHLLOKOSA-N 0 0 301.434 3.371 20 10 DGCDRN O=C(CSc1nccs1)Nc1nc2c(s1)CCCC2 ZINC000047297886 661874365 /nfs/dbraw/zinc/87/43/65/661874365.db2.gz DMQBHPYMEYDYBI-UHFFFAOYSA-N 0 0 311.457 3.209 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1cccc(C(F)(F)F)c1 ZINC000158979409 661881126 /nfs/dbraw/zinc/88/11/26/661881126.db2.gz SEMOTBKHJARHPW-UHFFFAOYSA-N 0 0 311.259 3.047 20 10 DGCDRN COc1cccc(CNC(=O)c2cccc(Cl)c2F)c1O ZINC000159712135 661893940 /nfs/dbraw/zinc/89/39/40/661893940.db2.gz NYTUUMPYNLWPPN-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN CC[C@H]1[C@@H](C)CCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000188553789 661934237 /nfs/dbraw/zinc/93/42/37/661934237.db2.gz RITAOGBMYIREOS-WFASDCNBSA-N 0 0 307.413 3.222 20 10 DGCDRN OC1CCN(c2ccc(CNc3ccc(F)cc3)cc2)CC1 ZINC000076275485 661976571 /nfs/dbraw/zinc/97/65/71/661976571.db2.gz RMKUJGCEBMGKJR-UHFFFAOYSA-N 0 0 300.377 3.399 20 10 DGCDRN OC1CCN(c2ccc(CNc3cccc(F)c3)cc2)CC1 ZINC000076275483 661976699 /nfs/dbraw/zinc/97/66/99/661976699.db2.gz XQCIMYAOXBMCBO-UHFFFAOYSA-N 0 0 300.377 3.399 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Nc2nnc(C)s2)cc1 ZINC000076926035 662013704 /nfs/dbraw/zinc/01/37/04/662013704.db2.gz IVIGHZOTFZGGML-UHFFFAOYSA-N 0 0 319.434 3.014 20 10 DGCDRN Cc1ccc(F)cc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000190917684 662049230 /nfs/dbraw/zinc/04/92/30/662049230.db2.gz LIGXZSCKQAXZAL-LLVKDONJSA-N 0 0 318.348 3.298 20 10 DGCDRN CC(C)Oc1ccc(N(C)CC(=O)N2CCC(C)CC2)cc1 ZINC000191581199 662073016 /nfs/dbraw/zinc/07/30/16/662073016.db2.gz XXZLHPNBPRWSPU-UHFFFAOYSA-N 0 0 304.434 3.169 20 10 DGCDRN CCOc1ccc(C(=O)NCCCSc2nccs2)cc1 ZINC000078713329 662082688 /nfs/dbraw/zinc/08/26/88/662082688.db2.gz XZSONJGZSZMHRZ-UHFFFAOYSA-N 0 0 322.455 3.454 20 10 DGCDRN C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])NC(=O)OC(C)(C)C ZINC000192689063 662108274 /nfs/dbraw/zinc/10/82/74/662108274.db2.gz IAXFMPLXHXSMSP-QWRGUYRKSA-N 0 0 312.385 3.095 20 10 DGCDRN COC[C@H](C)CNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000195698512 662192805 /nfs/dbraw/zinc/19/28/05/662192805.db2.gz FYOZKRGDWLHWNF-CQSZACIVSA-N 0 0 314.429 3.415 20 10 DGCDRN CC(C)C[C@H](C)OCCC(=O)NCc1ccc(N(C)C)cc1 ZINC000087004616 662222211 /nfs/dbraw/zinc/22/22/11/662222211.db2.gz QPKILACSYLJPFP-HNNXBMFYSA-N 0 0 306.450 3.210 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCO[C@H](C)CC(C)C)c1 ZINC000088360179 662230958 /nfs/dbraw/zinc/23/09/58/662230958.db2.gz UYVXUOOKDSSIOQ-ZIAGYGMSSA-N 0 0 323.433 3.419 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cccc(Br)c1 ZINC000037846067 662259618 /nfs/dbraw/zinc/25/96/18/662259618.db2.gz XSAAKRLVKZMRFD-UHFFFAOYSA-N 0 0 320.186 3.427 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC1CSC1 ZINC000923819932 685317461 /nfs/dbraw/zinc/31/74/61/685317461.db2.gz CUMSHQYGMWMLKY-UHFFFAOYSA-N 0 0 321.490 3.036 20 10 DGCDRN Cc1noc(CNC(=O)c2cc(C)n(-c3ccccc3C)c2C)n1 ZINC000104292795 685065543 /nfs/dbraw/zinc/06/55/43/685065543.db2.gz YQUDORVBTXCHSX-UHFFFAOYSA-N 0 0 324.384 3.024 20 10 DGCDRN COC(=O)c1cccc(CN(C)c2ccc(OC)c(OC)c2)c1 ZINC000140253673 685077137 /nfs/dbraw/zinc/07/71/37/685077137.db2.gz DWWGUEVDTRDYHX-UHFFFAOYSA-N 0 0 315.369 3.127 20 10 DGCDRN COc1ccc(OCCN(C)c2ccc(OC)c(OC)c2)cc1 ZINC000140273019 685077723 /nfs/dbraw/zinc/07/77/23/685077723.db2.gz JRVPADFIMKSDKK-UHFFFAOYSA-N 0 0 317.385 3.228 20 10 DGCDRN COc1ccc(N(C)CC(=O)Nc2ccccc2C)cc1OC ZINC000140290939 685077837 /nfs/dbraw/zinc/07/78/37/685077837.db2.gz XYQXINIOUBNLKB-UHFFFAOYSA-N 0 0 314.385 3.087 20 10 DGCDRN CCC[C@@H](C)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000140937548 685078969 /nfs/dbraw/zinc/07/89/69/685078969.db2.gz OVCSTCYMUPMGNK-HUUCEWRRSA-N 0 0 319.449 3.072 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H](CO)C1CCCC1 ZINC000395095377 685224573 /nfs/dbraw/zinc/22/45/73/685224573.db2.gz BWNXJMPROHZOCJ-CYBMUJFWSA-N 0 0 304.217 3.340 20 10 DGCDRN CON(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(N)cc1 ZINC001579105611 1191967375 /nfs/dbraw/zinc/96/73/75/1191967375.db2.gz PNXSFCAUEKLGCY-UHFFFAOYSA-N 0 0 304.777 3.055 20 10 DGCDRN COc1ccc(OC(C)(C)C(=O)Nc2ccc(N)cc2)cc1 ZINC001579231067 1191969695 /nfs/dbraw/zinc/96/96/95/1191969695.db2.gz LOKXFIZLVVGKHV-UHFFFAOYSA-N 0 0 300.358 3.074 20 10 DGCDRN Cc1c(NC(=O)NCc2ccc(N)cc2)cnn1-c1ccccc1 ZINC001579542583 1191979096 /nfs/dbraw/zinc/97/90/96/1191979096.db2.gz ZGWRJIXXLHBQNV-UHFFFAOYSA-N 0 0 321.384 3.085 20 10 DGCDRN Nc1ccc(CNC(=O)[C@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)cc1 ZINC001580443618 1192027329 /nfs/dbraw/zinc/02/73/29/1192027329.db2.gz SWUIMDCYTUCILU-OLZOCXBDSA-N 0 0 320.314 3.106 20 10 DGCDRN CC(=O)c1ccc(N(C)C(=O)C=Cc2cnc(C)s2)cc1 ZINC001583376112 1192144440 /nfs/dbraw/zinc/14/44/40/1192144440.db2.gz HSYKXENDSOHCEM-CMDGGOBGSA-N 0 0 300.383 3.330 20 10 DGCDRN Cc1ccsc1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001583677325 1192156059 /nfs/dbraw/zinc/15/60/59/1192156059.db2.gz ZGKIFTYNBJAJGV-UHFFFAOYSA-N 0 0 302.359 3.149 20 10 DGCDRN Cc1ncsc1/C=C\C(=O)N1CCOc2cc(F)c(F)cc21 ZINC001586429751 1192330441 /nfs/dbraw/zinc/33/04/41/1192330441.db2.gz PDAHWXDSOYTXPN-IHWYPQMZSA-N 0 0 322.336 3.169 20 10 DGCDRN C/C(=C\c1ccccn1)C(=O)Nc1c2nonc2ccc1Cl ZINC001586677226 1192343611 /nfs/dbraw/zinc/34/36/11/1192343611.db2.gz PJONRFGVVBYFNY-CMDGGOBGSA-N 0 0 314.732 3.313 20 10 DGCDRN CCCn1cc(NC(=O)c2cc3cc(O)c(O)cc3s2)cn1 ZINC001586832312 1192352948 /nfs/dbraw/zinc/35/29/48/1192352948.db2.gz MOGJFWHDMSQEEH-UHFFFAOYSA-N 0 0 317.370 3.171 20 10 DGCDRN Cc1nc2ccc(C(=O)N[C@H](C)c3ccccc3O)cc2n1C ZINC001587446864 1192400276 /nfs/dbraw/zinc/40/02/76/1192400276.db2.gz ADKMVINIIQYSBS-LLVKDONJSA-N 0 0 309.369 3.078 20 10 DGCDRN O=C(c1cnc(-c2ccccn2)s1)N1Cc2cccc(O)c2C1 ZINC001587929031 1192425488 /nfs/dbraw/zinc/42/54/88/1192425488.db2.gz VPNQVLBCWKWYLT-UHFFFAOYSA-N 0 0 323.377 3.067 20 10 DGCDRN CN(Cc1cccs1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001588177091 1192437370 /nfs/dbraw/zinc/43/73/70/1192437370.db2.gz NPWRTVNBWXQNES-UHFFFAOYSA-N 0 0 302.359 3.183 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1cc(C(F)F)ccc1F ZINC001593744858 1192640307 /nfs/dbraw/zinc/64/03/07/1192640307.db2.gz VJCHQZGLJNVYHQ-UHFFFAOYSA-N 0 0 311.259 3.105 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1ccnc(-c2ccco2)c1 ZINC001596917132 1192711039 /nfs/dbraw/zinc/71/10/39/1192711039.db2.gz VRXLNJICCUMQED-UHFFFAOYSA-N 0 0 312.300 3.116 20 10 DGCDRN Cc1ccc([C@@H]2C[C@H]2C(=O)NCc2c(O)cccc2O)cc1C ZINC001597578550 1192739119 /nfs/dbraw/zinc/73/91/19/1192739119.db2.gz ADGRQHOYIZGEIN-LSDHHAIUSA-N 0 0 311.381 3.135 20 10 DGCDRN O=C(NCc1c(O)cccc1F)N[C@@H](CF)c1ccc(F)cc1 ZINC001687379877 1176840768 /nfs/dbraw/zinc/84/07/68/1176840768.db2.gz BXAGZSSODABLEW-AWEZNQCLSA-N 0 0 324.302 3.180 20 10 DGCDRN Cc1cc(O)c(C[NH2+][C@H](C(=O)[O-])c2cccs2)cc1Cl ZINC001600286822 1192826824 /nfs/dbraw/zinc/82/68/24/1192826824.db2.gz WUZUZTMPFSBRIT-ZDUSSCGKSA-N 0 0 311.790 3.331 20 10 DGCDRN C[C@H]1C[C@H]1CNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001671076384 1177768521 /nfs/dbraw/zinc/76/85/21/1177768521.db2.gz SIAUHGQRHZMIBY-STQMWFEESA-N 0 0 321.384 3.174 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc2cncc(F)c21 ZINC001179687717 1177804341 /nfs/dbraw/zinc/80/43/41/1177804341.db2.gz VCCZLDVPRRVEGI-FNORWQNLSA-N 0 0 324.311 3.437 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCC2(CC(F)C2)CC1 ZINC001179687416 1177804903 /nfs/dbraw/zinc/80/49/03/1177804903.db2.gz TYBJOSXXGCFDKS-HWKANZROSA-N 0 0 319.376 3.242 20 10 DGCDRN Cc1ccc(C[N@@H+]2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)c(O)c1 ZINC001600415088 1192849045 /nfs/dbraw/zinc/84/90/45/1192849045.db2.gz AHBNIPIXBJLMAV-IRXDYDNUSA-N 0 0 311.381 3.491 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1ncc2ccccn21 ZINC001157051070 1178041086 /nfs/dbraw/zinc/04/10/86/1178041086.db2.gz PNQSHXJMVAKCBO-UHFFFAOYSA-N 0 0 317.348 3.123 20 10 DGCDRN Cc1cc(C(=O)N2CC[C@]23CCOC3)c(C)n1-c1ccccc1C ZINC001331572360 1178250107 /nfs/dbraw/zinc/25/01/07/1178250107.db2.gz ULNBPNPMEOMJBY-HXUWFJFHSA-N 0 0 324.424 3.408 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC(C)(C)C(F)(F)F)c1 ZINC001331752812 1178279032 /nfs/dbraw/zinc/27/90/32/1178279032.db2.gz IRLHNMZPYGRZIS-QMMMGPOBSA-N 0 0 320.311 3.102 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)C1C[C@H]2CC[C@@H](C1)S2 ZINC001331771969 1178281417 /nfs/dbraw/zinc/28/14/17/1178281417.db2.gz ZCMIMHNNWVCJMN-CBLAIPOGSA-N 0 0 323.805 3.489 20 10 DGCDRN C[C@@H](NC(=O)Nc1ccc(C(C)(C)C)nn1)c1ccccc1O ZINC001331790695 1178282246 /nfs/dbraw/zinc/28/22/46/1178282246.db2.gz HYTLNPMPCSGSQV-LLVKDONJSA-N 0 0 314.389 3.362 20 10 DGCDRN C[C@H](NC(=O)c1ccnc(OC2CCC2)c1)c1ccccc1O ZINC001332488437 1178456684 /nfs/dbraw/zinc/45/66/84/1178456684.db2.gz LYEJALFSPPWUKH-LBPRGKRZSA-N 0 0 312.369 3.210 20 10 DGCDRN Cc1csc([C@@H](C)[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)n1 ZINC001600654041 1192889242 /nfs/dbraw/zinc/88/92/42/1192889242.db2.gz DAGFMZSXJYAIJA-VHSXEESVSA-N 0 0 306.387 3.267 20 10 DGCDRN Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001600808644 1192899917 /nfs/dbraw/zinc/89/99/17/1192899917.db2.gz WTFRGMPSDHZFEH-BDAKNGLRSA-N 0 0 304.346 3.107 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)NC1CC2(CC2(F)F)C1 ZINC001335089940 1178851527 /nfs/dbraw/zinc/85/15/27/1178851527.db2.gz UACIITVNUBQVDZ-UHFFFAOYSA-N 0 0 316.735 3.033 20 10 DGCDRN Nc1ccc(CNC(=O)N2CCc3sc(Cl)cc3C2)cc1 ZINC001335723795 1178945158 /nfs/dbraw/zinc/94/51/58/1178945158.db2.gz BMGJWWWLTMAUAQ-UHFFFAOYSA-N 0 0 321.833 3.252 20 10 DGCDRN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)NCc1ccc(N)cc1 ZINC001335736680 1178946735 /nfs/dbraw/zinc/94/67/35/1178946735.db2.gz FSHGTIHRQCTKSH-PBHICJAKSA-N 0 0 309.413 3.356 20 10 DGCDRN CC(C)N(Cc1cccs1)C(=O)NCc1ccc(N)cc1 ZINC001335738084 1178946797 /nfs/dbraw/zinc/94/67/97/1178946797.db2.gz WBFRVBYPHFWZAB-UHFFFAOYSA-N 0 0 303.431 3.451 20 10 DGCDRN CCN(C(=O)NCc1ccc(N)cc1)[C@@H](C)Cc1ccsc1 ZINC001335737380 1178947281 /nfs/dbraw/zinc/94/72/81/1178947281.db2.gz OQXUKVHNTHWGTG-ZDUSSCGKSA-N 0 0 317.458 3.493 20 10 DGCDRN Nc1ccc(C[N@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)cc1 ZINC001601215673 1192922031 /nfs/dbraw/zinc/92/20/31/1192922031.db2.gz FSLCUYZNQUDSEH-UHFFFAOYSA-N 0 0 320.339 3.024 20 10 DGCDRN CO[C@H]1CCC[C@@H](CC(=O)Nc2c3nonc3ccc2Cl)C1 ZINC001342953726 1179215479 /nfs/dbraw/zinc/21/54/79/1179215479.db2.gz ZITHKAWSDVIPQV-ZJUUUORDSA-N 0 0 323.780 3.410 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)C[C@@H]1CCNc2ccccc21 ZINC001343165175 1179239585 /nfs/dbraw/zinc/23/95/85/1179239585.db2.gz WNCUHXNBRULLLP-AWEZNQCLSA-N 0 0 310.397 3.340 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC(C)(C)CF ZINC001345068427 1179520731 /nfs/dbraw/zinc/52/07/31/1179520731.db2.gz URZVZVVLSBWMKK-CYBMUJFWSA-N 0 0 309.429 3.039 20 10 DGCDRN CC(=O)N[C@@H](C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)o1 ZINC001345623640 1179581125 /nfs/dbraw/zinc/58/11/25/1179581125.db2.gz DTFIRCDWFCHMBA-LBPRGKRZSA-N 0 0 324.384 3.341 20 10 DGCDRN CC(C)(C)[C@@H]1CCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC001346222368 1179672420 /nfs/dbraw/zinc/67/24/20/1179672420.db2.gz SGURFBVASPHNBK-KRWDZBQOSA-N 0 0 313.445 3.393 20 10 DGCDRN Cc1cccc([C@@H]2CCCN2C(=O)NCc2ccc(N)cc2)n1 ZINC001346738659 1179741106 /nfs/dbraw/zinc/74/11/06/1179741106.db2.gz IXOUAMLWVCDGOC-KRWDZBQOSA-N 0 0 310.401 3.019 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)N(C)c1cccc2c1CCCN2 ZINC001347050495 1179772046 /nfs/dbraw/zinc/77/20/46/1179772046.db2.gz PDVDSAFQTJGUJH-CMDGGOBGSA-N 0 0 307.397 3.424 20 10 DGCDRN O=C(NCc1cccc(O)c1O)C1CC(c2ccc(F)cc2)C1 ZINC001347233984 1179785536 /nfs/dbraw/zinc/78/55/36/1179785536.db2.gz LNWVLMTVLUXKEN-UHFFFAOYSA-N 0 0 315.344 3.047 20 10 DGCDRN CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NCc1cccc(O)c1O ZINC001349078507 1179872521 /nfs/dbraw/zinc/87/25/21/1179872521.db2.gz HPIPAIHKDLOKJI-XPKDYRNWSA-N 0 0 321.417 3.088 20 10 DGCDRN O=C(NC[C@@H]1CCc2ccccc21)N1Cc2cccc(O)c2C1 ZINC001349309324 1179890330 /nfs/dbraw/zinc/89/03/30/1179890330.db2.gz MCPOPCPKJJDGCM-AWEZNQCLSA-N 0 0 308.381 3.147 20 10 DGCDRN CCOC1CC2(C[C@@H]2C(=O)Nc2c3nonc3ccc2Cl)C1 ZINC001349484918 1179909179 /nfs/dbraw/zinc/90/91/79/1179909179.db2.gz CCUTVGOFOKGYKN-OSPBMLLASA-N 0 0 321.764 3.020 20 10 DGCDRN CC(C)(NC(=O)NCc1cc(Cl)ccc1O)C(F)(F)F ZINC001350127591 1180021315 /nfs/dbraw/zinc/02/13/15/1180021315.db2.gz DBCKAKAKCDAAGX-UHFFFAOYSA-N 0 0 310.703 3.186 20 10 DGCDRN Cc1ccc(-c2nnc(N(C)Cc3ccccc3O)n2C)cc1 ZINC001350517744 1180081619 /nfs/dbraw/zinc/08/16/19/1180081619.db2.gz HHGGIGIZJIKBMX-UHFFFAOYSA-N 0 0 308.385 3.133 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCC(F)F ZINC001350919820 1180143025 /nfs/dbraw/zinc/14/30/25/1180143025.db2.gz VFHMXXKEXWFGSC-UHFFFAOYSA-N 0 0 313.392 3.329 20 10 DGCDRN COc1ccc(O)c([C@H](C)NCc2c(Cl)ccnc2F)c1 ZINC001621316339 1193008340 /nfs/dbraw/zinc/00/83/40/1193008340.db2.gz DTOFJRZWJJEPKU-VIFPVBQESA-N 0 0 310.756 3.439 20 10 DGCDRN CCO[C@@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001351175439 1180182844 /nfs/dbraw/zinc/18/28/44/1180182844.db2.gz ATLOHFXAFSXLLQ-GOSISDBHSA-N 0 0 316.445 3.060 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC001351256072 1180191594 /nfs/dbraw/zinc/19/15/94/1180191594.db2.gz MIFZQXFMNYZRAE-VHDGCEQUSA-N 0 0 308.372 3.050 20 10 DGCDRN CC(C)c1oncc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001351667414 1180235169 /nfs/dbraw/zinc/23/51/69/1180235169.db2.gz WLPNWSTUCUPNJG-UHFFFAOYSA-N 0 0 314.385 3.312 20 10 DGCDRN CC[C@@H](SC)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001352615964 1180370241 /nfs/dbraw/zinc/37/02/41/1180370241.db2.gz VFHVKRHRRCSRID-MRXNPFEDSA-N 0 0 306.475 3.387 20 10 DGCDRN Cc1c[nH]c(-c2ccc(NC(=O)c3ccc(C)c(O)c3O)cc2)n1 ZINC001300082425 1180378622 /nfs/dbraw/zinc/37/86/22/1180378622.db2.gz MRCXAVZNNGNJDE-UHFFFAOYSA-N 0 0 323.352 3.357 20 10 DGCDRN C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NCc1ccc(N)cc1 ZINC001353394269 1180548172 /nfs/dbraw/zinc/54/81/72/1180548172.db2.gz XHDHBQPDBWEFCK-FZKQIMNGSA-N 0 0 309.413 3.392 20 10 DGCDRN Cc1nc([C@H]2CCCN2C(=O)NCc2ccc(N)cc2)cs1 ZINC001353539533 1180583453 /nfs/dbraw/zinc/58/34/53/1180583453.db2.gz MCMPVJKNMDDWIG-OAHLLOKOSA-N 0 0 316.430 3.080 20 10 DGCDRN CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001603966960 1193040896 /nfs/dbraw/zinc/04/08/96/1193040896.db2.gz CCHGUABBEICNSF-AAEUAGOBSA-N 0 0 318.392 3.397 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C[C@@H]1CCCCO1 ZINC001353910445 1180681066 /nfs/dbraw/zinc/68/10/66/1180681066.db2.gz JODQMVXBZUAUEG-SFHVURJKSA-N 0 0 316.445 3.204 20 10 DGCDRN Oc1cccnc1CNC(=S)Nc1ccc(F)c(Cl)c1 ZINC001200593516 1180745741 /nfs/dbraw/zinc/74/57/41/1180745741.db2.gz MCLOWIHIODROAR-UHFFFAOYSA-N 0 0 311.769 3.066 20 10 DGCDRN Cc1ccc(F)c(CNC(=S)Nc2cc(F)cc(F)c2)n1 ZINC001200677559 1180808368 /nfs/dbraw/zinc/80/83/68/1180808368.db2.gz SDYYENZGGWSUAN-UHFFFAOYSA-N 0 0 311.332 3.294 20 10 DGCDRN Fc1cnc(CNC(=S)Nc2cc(F)cc(F)c2)c(F)c1 ZINC001200677629 1180810837 /nfs/dbraw/zinc/81/08/37/1180810837.db2.gz WCTTWDQIZVPQAP-UHFFFAOYSA-N 0 0 315.295 3.125 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cnc3cc[nH]c3c2)cc1 ZINC001354541095 1180833141 /nfs/dbraw/zinc/83/31/41/1180833141.db2.gz MTFKONCEUBVFNX-UHFFFAOYSA-N 0 0 322.412 3.339 20 10 DGCDRN O=c1nc(Cl)cc(N2CC=C(c3ccc(Cl)nc3)CC2)[nH]1 ZINC001472747113 1180847803 /nfs/dbraw/zinc/84/78/03/1180847803.db2.gz QRWWNQSHZBJVSV-UHFFFAOYSA-N 0 0 323.183 3.178 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](C)CC(F)(F)F)c1cc(C(=O)[O-])ccc1O ZINC001604184176 1193058608 /nfs/dbraw/zinc/05/86/08/1193058608.db2.gz HTBMFJNLTKKYHV-DTWKUNHWSA-N 0 0 305.296 3.330 20 10 DGCDRN C[C@H]([NH2+]CC[C@]1(C)C[C@@]1(F)Cl)c1cc(C(=O)[O-])ccc1O ZINC001604338633 1193066993 /nfs/dbraw/zinc/06/69/93/1193066993.db2.gz PRIXQXGXSVQMKK-AMFBXLIHSA-N 0 0 315.772 3.446 20 10 DGCDRN C[C@@H](OC(C)(C)C)c1nnc(N(C)Cc2ccccc2O)n1C ZINC001355486280 1181061725 /nfs/dbraw/zinc/06/17/25/1181061725.db2.gz YQTNQNPRIDTQJJ-GFCCVEGCSA-N 0 0 318.421 3.033 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ncc3ccccn32)cc1 ZINC001357724196 1181422621 /nfs/dbraw/zinc/42/26/21/1181422621.db2.gz LAAIMINZDPSGGL-UHFFFAOYSA-N 0 0 322.412 3.111 20 10 DGCDRN C/C(=C\C(=O)N1CCOc2cc(N(C)C)ccc21)c1ccco1 ZINC001361101851 1181647139 /nfs/dbraw/zinc/64/71/39/1181647139.db2.gz DRZBHQVCXAPHMJ-ACCUITESSA-N 0 0 312.369 3.175 20 10 DGCDRN CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)C1(C(=O)[O-])CCC1 ZINC001605100352 1193113761 /nfs/dbraw/zinc/11/37/61/1193113761.db2.gz MMWACVIEHOIHHN-INIZCTEOSA-N 0 0 304.434 3.184 20 10 DGCDRN CCO[C@@H](C(=O)NCc1ccc(N(C)C)cc1C)C1CCCC1 ZINC001435117695 1181790544 /nfs/dbraw/zinc/79/05/44/1181790544.db2.gz GSFGDKYJPUJBAD-GOSISDBHSA-N 0 0 318.461 3.273 20 10 DGCDRN C[C@@H](NC(=O)C[C@@H]1Cc2ccccc2O1)c1ccc(N(C)C)cc1 ZINC001435954430 1181857752 /nfs/dbraw/zinc/85/77/52/1181857752.db2.gz XNEMHYQWDOHKBS-KDOFPFPSSA-N 0 0 324.424 3.324 20 10 DGCDRN CC[C@@H]1CC[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C1 ZINC001605171367 1193125549 /nfs/dbraw/zinc/12/55/49/1193125549.db2.gz KFIJCXHKWFRSMF-LLVKDONJSA-N 0 0 304.365 3.248 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)C(F)=C3CCC3)CC2)cc1 ZINC001545931594 1182037709 /nfs/dbraw/zinc/03/77/09/1182037709.db2.gz NRLTZCIRBAZJPS-UHFFFAOYSA-N 0 0 318.392 3.141 20 10 DGCDRN Cc1cc(CC(=O)NCc2cccnc2)c(C)n1-c1ccccc1 ZINC001440489129 1182039913 /nfs/dbraw/zinc/03/99/13/1182039913.db2.gz GASMYQXQEPKCPQ-UHFFFAOYSA-N 0 0 319.408 3.348 20 10 DGCDRN O=C(NCc1cccs1)c1cc2cc(O)c(O)cc2s1 ZINC001440483115 1182040284 /nfs/dbraw/zinc/04/02/84/1182040284.db2.gz QILGVZFVYLKSLS-UHFFFAOYSA-N 0 0 305.380 3.304 20 10 DGCDRN C/C=C\[C@@H](O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC001442442988 1182083045 /nfs/dbraw/zinc/08/30/45/1182083045.db2.gz BKNAIVDWQIHHET-BKSIFSGMSA-N 0 0 316.445 3.009 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc3c(C)cccn3c2)c1 ZINC001445964161 1182159229 /nfs/dbraw/zinc/15/92/29/1182159229.db2.gz CDMSYHTUINESOU-CYBMUJFWSA-N 0 0 324.380 3.453 20 10 DGCDRN COC[C@@H](C)NC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001446332013 1182168299 /nfs/dbraw/zinc/16/82/99/1182168299.db2.gz LIHWGSFETIGHQY-CYBMUJFWSA-N 0 0 300.402 3.167 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCCCO2)c1 ZINC001447983164 1182199095 /nfs/dbraw/zinc/19/90/95/1182199095.db2.gz MGTNUBNYZYKATC-UHFFFAOYSA-N 0 0 312.369 3.074 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)CC[C@H](C)SC ZINC001449124885 1182222675 /nfs/dbraw/zinc/22/26/75/1182222675.db2.gz SGTAVSOGQFNOPC-NSHDSACASA-N 0 0 302.436 3.026 20 10 DGCDRN CC[C@@H]1CCCC[C@H]1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001450416444 1182248593 /nfs/dbraw/zinc/24/85/93/1182248593.db2.gz ULCMPXCTXFXOEE-WVYYZCOMSA-N 0 0 303.402 3.444 20 10 DGCDRN Cc1ccc(C(=O)NCC[C@H]2CCc3ccccc32)c(O)c1O ZINC001450497219 1182250524 /nfs/dbraw/zinc/25/05/24/1182250524.db2.gz VQACWISPZWTWQB-CQSZACIVSA-N 0 0 311.381 3.256 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]Cc2cc(C(=O)[O-])c(C)[nH]2)cc1 ZINC001605436036 1193150553 /nfs/dbraw/zinc/15/05/53/1193150553.db2.gz YZADQSUFUFTAAE-UHFFFAOYSA-N 0 0 315.417 3.157 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)[C@@H](F)c1ccccc1 ZINC001451946556 1182277837 /nfs/dbraw/zinc/27/78/37/1182277837.db2.gz DCMZUMFWWHYRPE-HNNXBMFYSA-N 0 0 310.328 3.267 20 10 DGCDRN C[C@H](OCc1ccccc1)C(=O)NCc1cc(Cl)ccc1O ZINC001452948663 1182305094 /nfs/dbraw/zinc/30/50/94/1182305094.db2.gz YONXFRNKZNSOFC-LBPRGKRZSA-N 0 0 319.788 3.267 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1ccc(F)c(F)c1F ZINC001452935500 1182305797 /nfs/dbraw/zinc/30/57/97/1182305797.db2.gz HWBQUAHVCALBLC-UHFFFAOYSA-N 0 0 315.678 3.393 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccc3c(C)cc(=O)[nH]c3c2)c1 ZINC001453651771 1182321645 /nfs/dbraw/zinc/32/16/45/1182321645.db2.gz PPFQGBPQHLNVTK-UHFFFAOYSA-N 0 0 322.364 3.193 20 10 DGCDRN CCCOc1nc(C)ccc1C(=O)NCc1cc(C)ccc1O ZINC001453654268 1182321870 /nfs/dbraw/zinc/32/18/70/1182321870.db2.gz YDKAZYHPOUUKPQ-UHFFFAOYSA-N 0 0 314.385 3.123 20 10 DGCDRN Cc1cc(CCNC(=O)[C@@H]2CCC=CO2)c(C)n1-c1ccccc1 ZINC001454473039 1182344239 /nfs/dbraw/zinc/34/42/39/1182344239.db2.gz LLAPHXNGXSPGTK-IBGZPJMESA-N 0 0 324.424 3.446 20 10 DGCDRN Cc1cc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)[nH]n1 ZINC001454627921 1182348763 /nfs/dbraw/zinc/34/87/63/1182348763.db2.gz XIVZDCDZUAHQFJ-UHFFFAOYSA-N 0 0 308.385 3.056 20 10 DGCDRN Cc1ccnn1-c1ccc(C(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC001454812879 1182353364 /nfs/dbraw/zinc/35/33/64/1182353364.db2.gz DDHCJIYBCANTQC-AWEZNQCLSA-N 0 0 321.380 3.377 20 10 DGCDRN CCC(CC)(CNC(=O)Cc1ccc(O)c(O)c1)C(F)(F)F ZINC001454971418 1182354920 /nfs/dbraw/zinc/35/49/20/1182354920.db2.gz VZUOLUWIDNCTHE-UHFFFAOYSA-N 0 0 319.323 3.125 20 10 DGCDRN Cc1ccccc1C(F)(F)C(=O)N1Cc2cccc(O)c2C1 ZINC001455035909 1182358828 /nfs/dbraw/zinc/35/88/28/1182358828.db2.gz CLAHJJNRZAIAIU-UHFFFAOYSA-N 0 0 303.308 3.335 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001455355572 1182367264 /nfs/dbraw/zinc/36/72/64/1182367264.db2.gz CWOQOUCLMHAYPD-ONGXEEELSA-N 0 0 317.307 3.083 20 10 DGCDRN O=C(CCc1ccc(Cl)cc1)NCc1c(O)cccc1F ZINC001456082520 1182396667 /nfs/dbraw/zinc/39/66/67/1182396667.db2.gz AXCBWRHMPSKMFY-UHFFFAOYSA-N 0 0 307.752 3.434 20 10 DGCDRN CCC[C@@H](CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC001458046684 1182492330 /nfs/dbraw/zinc/49/23/30/1182492330.db2.gz XDUOMELVUGAPPH-OAHLLOKOSA-N 0 0 304.434 3.170 20 10 DGCDRN CCOc1ccc(C[NH2+][C@H](CC2CCCCC2)C(=O)[O-])c(O)c1 ZINC001605691869 1193165564 /nfs/dbraw/zinc/16/55/64/1193165564.db2.gz NLARJROZVMICCM-MRXNPFEDSA-N 0 0 321.417 3.304 20 10 DGCDRN COC(=O)c1cnc(SCc2nc3ccccc3o2)s1 ZINC001459102386 1182568388 /nfs/dbraw/zinc/56/83/88/1182568388.db2.gz DOWCYNVUGLBNQI-UHFFFAOYSA-N 0 0 306.368 3.363 20 10 DGCDRN Clc1cnc(SCc2nnnn2Cc2ccccc2)s1 ZINC001459190078 1182573057 /nfs/dbraw/zinc/57/30/57/1182573057.db2.gz ARPIPGWJGUOGHA-UHFFFAOYSA-N 0 0 323.834 3.124 20 10 DGCDRN COc1ccc2c(c1)C[C@@H](CN(C)c1ccc(OC)c(F)c1)O2 ZINC001459719663 1182609484 /nfs/dbraw/zinc/60/94/84/1182609484.db2.gz WHCXYBIBPANGLJ-HNNXBMFYSA-N 0 0 317.360 3.283 20 10 DGCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@@H](O)CSC ZINC001460282106 1182671366 /nfs/dbraw/zinc/67/13/66/1182671366.db2.gz CQXIXAJBXDAJJV-LSDHHAIUSA-N 0 0 309.475 3.054 20 10 DGCDRN Cn1c(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])nc2ccccc21 ZINC001461155710 1182775747 /nfs/dbraw/zinc/77/57/47/1182775747.db2.gz JRHIGKJIOZIIDD-UHFFFAOYSA-N 0 0 319.767 3.361 20 10 DGCDRN CN(C)c1ccc(/C=C\CNc2cccc3c2oc(=O)n3C)cc1 ZINC001461347783 1182797321 /nfs/dbraw/zinc/79/73/21/1182797321.db2.gz OEDZVTMHKZLDJY-WAYWQWQTSA-N 0 0 323.396 3.323 20 10 DGCDRN CCOc1ncccc1NCc1cc(F)c(N(C)C)cc1F ZINC001461367111 1182800803 /nfs/dbraw/zinc/80/08/03/1182800803.db2.gz QUINXSGZVKUESA-UHFFFAOYSA-N 0 0 307.344 3.437 20 10 DGCDRN COc1ccc2c(c1)CCN2Cc1cccnc1Br ZINC001461990344 1182892137 /nfs/dbraw/zinc/89/21/37/1182892137.db2.gz WXHRXIYWELZBCG-UHFFFAOYSA-N 0 0 319.202 3.415 20 10 DGCDRN Cc1ccc(OCC[N@@H+](C)Cc2ccc(F)c(F)c2[O-])cc1 ZINC001462028788 1182898125 /nfs/dbraw/zinc/89/81/25/1182898125.db2.gz YHQAZRBRTUSQHS-UHFFFAOYSA-N 0 0 307.340 3.490 20 10 DGCDRN CCOC(=O)[C@@H](C)N(C/C=C/c1ccc(N(C)C)cc1)C1CC1 ZINC001462094203 1182907433 /nfs/dbraw/zinc/90/74/33/1182907433.db2.gz KOVDXAGUCZKNPL-LQYUOIDQSA-N 0 0 316.445 3.182 20 10 DGCDRN COc1ccc2c(c1)CC[N@@H+](Cc1ccc(F)c(F)c1[O-])CC2 ZINC001462114879 1182910109 /nfs/dbraw/zinc/91/01/09/1182910109.db2.gz XZZAVQKXPFHDRN-UHFFFAOYSA-N 0 0 319.351 3.280 20 10 DGCDRN CN(C)c1ccc(/C=C\C[NH2+][C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC001606053867 1193188430 /nfs/dbraw/zinc/18/84/30/1193188430.db2.gz CZJLEPFHZUZBRW-HPFMTEOYSA-N 0 0 310.397 3.181 20 10 DGCDRN CN1c2ccccc2N(Cc2cc(F)cc(F)c2O)CCC1=O ZINC001462307706 1182936524 /nfs/dbraw/zinc/93/65/24/1182936524.db2.gz YCZPJXJKDLJUEU-UHFFFAOYSA-N 0 0 318.323 3.044 20 10 DGCDRN COc1ccc(N(C)Cc2ncc(Br)cc2O)cc1 ZINC001462410152 1182948992 /nfs/dbraw/zinc/94/89/92/1182948992.db2.gz ILBVNNAVSKNYRX-UHFFFAOYSA-N 0 0 323.190 3.195 20 10 DGCDRN CC(C)c1ccc(O)c(CNc2ccc(-c3nnnn3C)cc2)c1 ZINC001462439466 1182952215 /nfs/dbraw/zinc/95/22/15/1182952215.db2.gz OONYNCZFFCSEMW-UHFFFAOYSA-N 0 0 323.400 3.318 20 10 DGCDRN CC(C)(C)OC(=O)[C@]1(C)CCCN1Cc1cc(F)ccc1O ZINC001462479957 1182959526 /nfs/dbraw/zinc/95/95/26/1182959526.db2.gz LTAGNKSMGHIQRD-KRWDZBQOSA-N 0 0 309.381 3.228 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@H](c2ccc(O)cc2)C1 ZINC001462485464 1182960341 /nfs/dbraw/zinc/96/03/41/1182960341.db2.gz ZVPLRXICADQQIB-LBPRGKRZSA-N 0 0 305.324 3.366 20 10 DGCDRN Cc1ccc(C2=NO[C@@H](C[NH2+]Cc3cccc(F)c3[O-])C2)cc1 ZINC001462552430 1182968086 /nfs/dbraw/zinc/96/80/86/1182968086.db2.gz NOMNBZNREYQZAP-OAHLLOKOSA-N 0 0 314.360 3.123 20 10 DGCDRN [O-]c1cc(Cl)ccc1C[NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1 ZINC001462601425 1182974639 /nfs/dbraw/zinc/97/46/39/1182974639.db2.gz BCNLVXWPNMUXTK-MAEOIBBWSA-N 0 0 317.816 3.228 20 10 DGCDRN COc1ccc(CNC(=O)OCc2ccccc2C)c(O)c1 ZINC001463590762 1183034475 /nfs/dbraw/zinc/03/44/75/1183034475.db2.gz PZNPIFXSFHEYIP-UHFFFAOYSA-N 0 0 301.342 3.136 20 10 DGCDRN Cc1cc(CC(=O)NCc2ccncc2)c(C)n1-c1ccccc1 ZINC001463619803 1183036250 /nfs/dbraw/zinc/03/62/50/1183036250.db2.gz XYEJLGQQZHVGHP-UHFFFAOYSA-N 0 0 319.408 3.348 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cc3c(cc2O)CCCC3)cc1 ZINC001463727749 1183042447 /nfs/dbraw/zinc/04/24/47/1183042447.db2.gz UPZPEBYWQZDLMZ-UHFFFAOYSA-N 0 0 324.424 3.267 20 10 DGCDRN Cc1ccc(C(=O)NCC(C)(C)Cc2ccccc2)c(O)c1O ZINC001465143797 1183131801 /nfs/dbraw/zinc/13/18/01/1183131801.db2.gz WEZRVQQKGAPGFW-UHFFFAOYSA-N 0 0 313.397 3.405 20 10 DGCDRN COCC1(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)CCCCC1 ZINC001606840784 1193205621 /nfs/dbraw/zinc/20/56/21/1193205621.db2.gz KTZWNXJAUZFHLV-CYBMUJFWSA-N 0 0 321.417 3.338 20 10 DGCDRN CCN(C(=O)C1=CC(=O)CS1)[C@@H](COC)Cc1ccccc1 ZINC001465687561 1183164312 /nfs/dbraw/zinc/16/43/12/1183164312.db2.gz VXDNTSJQYQLHIB-CQSZACIVSA-N 0 0 319.426 3.174 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cc(-c2cccc(O)c2)on1 ZINC001465843328 1183172654 /nfs/dbraw/zinc/17/26/54/1183172654.db2.gz ZCUJPLBAZKEBEH-UHFFFAOYSA-N 0 0 324.336 3.025 20 10 DGCDRN Cc1cnc(C(=O)NCc2c(O)ccc3c2CCCC3)cc1C ZINC001465958736 1183179587 /nfs/dbraw/zinc/17/95/87/1183179587.db2.gz SSBYJRBPSXAOEG-UHFFFAOYSA-N 0 0 310.397 3.213 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)/C=C(\C)c2ccco2)c1 ZINC001465991386 1183181772 /nfs/dbraw/zinc/18/17/72/1183181772.db2.gz CVNZEEQXJZUGBQ-ZKQHCESOSA-N 0 0 301.342 3.275 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C(C)=C\c2cccnc2)c1 ZINC001465992802 1183181824 /nfs/dbraw/zinc/18/18/24/1183181824.db2.gz MUDFQXKTTYHIHS-KIWPFMIBSA-N 0 0 312.369 3.077 20 10 DGCDRN C[C@@H](NC(=O)[C@@]1(O)CCCC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001467260827 1183250138 /nfs/dbraw/zinc/25/01/38/1183250138.db2.gz UZQSRUAQFJIXOP-AUUYWEPGSA-N 0 0 318.461 3.261 20 10 DGCDRN CC(C)[C@]1(C)C[C@H]1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC001468321502 1183325610 /nfs/dbraw/zinc/32/56/10/1183325610.db2.gz TVPYBNFSYUEUJD-MJGOQNOKSA-N 0 0 315.461 3.303 20 10 DGCDRN C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)C1(C)CC1 ZINC001468320011 1183325806 /nfs/dbraw/zinc/32/58/06/1183325806.db2.gz LLOCYOJNOUXZTJ-ZDUSSCGKSA-N 0 0 301.434 3.057 20 10 DGCDRN CCC[C@@H](CC)C(=O)N(CC(=O)OCC)Cc1ccccc1O ZINC001469231375 1183393193 /nfs/dbraw/zinc/39/31/93/1183393193.db2.gz SBNQXUCOWRXXJL-CQSZACIVSA-N 0 0 321.417 3.110 20 10 DGCDRN O=C(/C=C/c1ccnc(Cl)c1)NCc1cc(Cl)ccc1O ZINC001469876279 1183443827 /nfs/dbraw/zinc/44/38/27/1183443827.db2.gz DSSQJJKEYZKHMV-DAFODLJHSA-N 0 0 323.179 3.424 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Cc2cccc3cnccc32)c1 ZINC001470253991 1183472704 /nfs/dbraw/zinc/47/27/04/1183472704.db2.gz CUZHVXHMUJBGBD-UHFFFAOYSA-N 0 0 306.365 3.108 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)/C=C/c2ccc(Cl)nc2)c1 ZINC001470257717 1183473516 /nfs/dbraw/zinc/47/35/16/1183473516.db2.gz LBWCNSDACDWAKX-QPJJXVBHSA-N 0 0 302.761 3.079 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cccc(-n3cccc3)c2)c1 ZINC001470255146 1183473839 /nfs/dbraw/zinc/47/38/39/1183473839.db2.gz RHGXVGZPTZFESD-UHFFFAOYSA-N 0 0 306.365 3.421 20 10 DGCDRN CC(C)[C@@H]1C[C@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC001470447606 1183487612 /nfs/dbraw/zinc/48/76/12/1183487612.db2.gz IZCMWSVZEXYRAZ-GOEBONIOSA-N 0 0 302.418 3.115 20 10 DGCDRN C[C@H](NC(=O)c1ccccc1Cn1cccn1)c1ccccc1O ZINC001471194681 1183545530 /nfs/dbraw/zinc/54/55/30/1183545530.db2.gz OQJIWQASFLOXPL-AWEZNQCLSA-N 0 0 321.380 3.128 20 10 DGCDRN Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccccc3O)[nH]n2)o1 ZINC001471194163 1183545543 /nfs/dbraw/zinc/54/55/43/1183545543.db2.gz DREZGRNMBLJGPH-NSHDSACASA-N 0 0 311.341 3.175 20 10 DGCDRN Cc1ccc2snc(C(=O)N3Cc4cccc(O)c4C3)c2c1 ZINC001471355609 1183558360 /nfs/dbraw/zinc/55/83/60/1183558360.db2.gz NAMYVRXSYALVAR-UHFFFAOYSA-N 0 0 310.378 3.466 20 10 DGCDRN C[C@H](Oc1ccc(Cl)cc1)C(=O)N1Cc2cccc(O)c2C1 ZINC001471355830 1183558489 /nfs/dbraw/zinc/55/84/89/1183558489.db2.gz WXAJPMHGZZJVBZ-NSHDSACASA-N 0 0 317.772 3.355 20 10 DGCDRN COc1ccc(C2CC2)c(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001471409944 1183561694 /nfs/dbraw/zinc/56/16/94/1183561694.db2.gz IISVRNSSXUMYQC-UHFFFAOYSA-N 0 0 313.353 3.165 20 10 DGCDRN CO[C@H]1C[C@H](CNC(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC001471635252 1183579349 /nfs/dbraw/zinc/57/93/49/1183579349.db2.gz VYSCWQQWFFURLR-HDJSIYSDSA-N 0 0 318.442 3.310 20 10 DGCDRN Cc1cc(C)c(/C=C\C(=O)NCc2cccc(O)c2O)cc1C ZINC001471641955 1183580162 /nfs/dbraw/zinc/58/01/62/1183580162.db2.gz CUFXISWDLCJSQQ-FPLPWBNLSA-N 0 0 311.381 3.353 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cccc([N+](=O)[O-])c1Cl ZINC001471976118 1183604359 /nfs/dbraw/zinc/60/43/59/1183604359.db2.gz QXSPCHMKABYSDN-UHFFFAOYSA-N 0 0 324.695 3.023 20 10 DGCDRN CCCCCC[C@H](O)CCC(=O)NCc1c(O)cccc1F ZINC001471976344 1183604546 /nfs/dbraw/zinc/60/45/46/1183604546.db2.gz XADSTYYDMWATIP-ZDUSSCGKSA-N 0 0 311.397 3.259 20 10 DGCDRN CCc1ccc2c(c1)CCN2C(=O)c1c[nH]nc1-c1cccnc1 ZINC001472318774 1183633937 /nfs/dbraw/zinc/63/39/37/1183633937.db2.gz WAKTZHVMUJADRV-UHFFFAOYSA-N 0 0 318.380 3.237 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1nc(Cl)cs1 ZINC001472317172 1183634425 /nfs/dbraw/zinc/63/44/25/1183634425.db2.gz YAIQBSBPIFCGAT-UHFFFAOYSA-N 0 0 303.170 3.086 20 10 DGCDRN COc1ccc2[nH]cc(C3=CCN(c4cc(F)ncn4)CC3)c2c1 ZINC001472662712 1183663022 /nfs/dbraw/zinc/66/30/22/1183663022.db2.gz HKZLIXAWSSXXIJ-UHFFFAOYSA-N 0 0 324.359 3.399 20 10 DGCDRN Nc1cc(CN(Cc2ccco2)Cc2ccccc2O)ccn1 ZINC001473262417 1183737264 /nfs/dbraw/zinc/73/72/64/1183737264.db2.gz JSORPDQHGJQNHO-UHFFFAOYSA-N 0 0 309.369 3.165 20 10 DGCDRN CCOc1ccc(N(C/C=C(/C)C(=O)OC)CC2CC2)cc1 ZINC001473717205 1183792766 /nfs/dbraw/zinc/79/27/66/1183792766.db2.gz AFCOKAWOJDAVKK-KAMYIIQDSA-N 0 0 303.402 3.421 20 10 DGCDRN Cc1cc(C[N@@H+]2CCc3cc(C(=O)[O-])ccc3C2)ccc1N(C)C ZINC001607641412 1193243637 /nfs/dbraw/zinc/24/36/37/1193243637.db2.gz BRWJSZWHSLRRCR-UHFFFAOYSA-N 0 0 324.424 3.318 20 10 DGCDRN O=C1COc2cc(NCc3cc(Cl)cc(F)c3O)ccc2N1 ZINC001473946101 1183835099 /nfs/dbraw/zinc/83/50/99/1183835099.db2.gz HTFPKNHMSPQOBV-UHFFFAOYSA-N 0 0 322.723 3.128 20 10 DGCDRN CCCN(CCC)c1ccc(CNCc2nnc(C)n2C)cc1 ZINC001473971897 1183841461 /nfs/dbraw/zinc/84/14/61/1183841461.db2.gz MDLRCUJICPZUGJ-UHFFFAOYSA-N 0 0 315.465 3.040 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNCc1csc(N(C)C)n1 ZINC001474032890 1183855328 /nfs/dbraw/zinc/85/53/28/1183855328.db2.gz WKFNQACXVFCXOD-UHFFFAOYSA-N 0 0 314.458 3.299 20 10 DGCDRN COc1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])cc1[N+](=O)[O-] ZINC001474294496 1183897984 /nfs/dbraw/zinc/89/79/84/1183897984.db2.gz ORTOCEDYKUBEOP-UHFFFAOYSA-N 0 0 322.748 3.252 20 10 DGCDRN COc1cc(C)c(CNc2cnn([C@H](C)C3CC3)c2)c(O)c1 ZINC001474467013 1183926807 /nfs/dbraw/zinc/92/68/07/1183926807.db2.gz RDAIFPACBZNPPL-GFCCVEGCSA-N 0 0 301.390 3.489 20 10 DGCDRN C[Si](C)(C)c1ccc(C[NH2+]Cc2cccc(F)c2[O-])cc1 ZINC001474532663 1183936039 /nfs/dbraw/zinc/93/60/39/1183936039.db2.gz LTIHBWVEUJYMIX-UHFFFAOYSA-N 0 0 303.453 3.366 20 10 DGCDRN COc1c([O-])c(C[NH2+]CC2CCC3(CC3)CC2)ccc1[N+](=O)[O-] ZINC001474650567 1183955623 /nfs/dbraw/zinc/95/56/23/1183955623.db2.gz VNXUPFHJORZODI-UHFFFAOYSA-N 0 0 320.389 3.369 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC1(Br)CC1 ZINC001474734181 1183970299 /nfs/dbraw/zinc/97/02/99/1183970299.db2.gz KGYDEJWLLZKXOO-UHFFFAOYSA-N 0 0 308.578 3.202 20 10 DGCDRN CCc1cnc(NC(=O)NCc2cc(Cl)ccc2O)s1 ZINC001476194173 1184030095 /nfs/dbraw/zinc/03/00/95/1184030095.db2.gz CLWMRZLOCXBKNK-UHFFFAOYSA-N 0 0 311.794 3.386 20 10 DGCDRN C[C@@H](NC(=O)Nc1cnc2[nH]ccc2c1)c1ccc(N(C)C)cc1 ZINC001477079253 1184067706 /nfs/dbraw/zinc/06/77/06/1184067706.db2.gz IBBSOFGQXLPYNT-GFCCVEGCSA-N 0 0 323.400 3.463 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CCCC3(CC3)C2)cc1 ZINC001477443383 1184089508 /nfs/dbraw/zinc/08/95/08/1184089508.db2.gz ICQLOLBBLRGQOB-OAHLLOKOSA-N 0 0 301.434 3.275 20 10 DGCDRN Cc1ccccc1CNC(=O)NCc1cc(Cl)ccc1O ZINC001477500917 1184093420 /nfs/dbraw/zinc/09/34/20/1184093420.db2.gz VIKRRSALBOUEGA-UHFFFAOYSA-N 0 0 304.777 3.353 20 10 DGCDRN Cc1cccc(F)c1C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001607855392 1193263115 /nfs/dbraw/zinc/26/31/15/1193263115.db2.gz SAQBYXTXWBAYJW-LLVKDONJSA-N 0 0 303.333 3.389 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@H]2CC3CCC2CC3)cc1F ZINC001477651367 1184104493 /nfs/dbraw/zinc/10/44/93/1184104493.db2.gz AERPPXSDIDRRQH-PXCJXSSVSA-N 0 0 319.424 3.270 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCC1(CC2CC2)CC1 ZINC001477853749 1184114815 /nfs/dbraw/zinc/11/48/15/1184114815.db2.gz DKZRLGWNKMYZEL-UHFFFAOYSA-N 0 0 315.461 3.441 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NOCC1CCC1 ZINC001479005647 1184193007 /nfs/dbraw/zinc/19/30/07/1184193007.db2.gz VKRWVRCJRLGVIH-UHFFFAOYSA-N 0 0 317.433 3.160 20 10 DGCDRN O=C([O-])[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccccc1F ZINC001608548385 1193292488 /nfs/dbraw/zinc/29/24/88/1193292488.db2.gz MJUNYYFQXYROFW-AWEZNQCLSA-N 0 0 309.724 3.100 20 10 DGCDRN O=C([O-])CC[N@H+](Cc1ccccc1)Cc1cccc(F)c1[O-] ZINC001608722629 1193301785 /nfs/dbraw/zinc/30/17/85/1193301785.db2.gz VHZQJYNVIIDMID-UHFFFAOYSA-N 0 0 303.333 3.008 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CSCc2cccs2)cc1 ZINC000008171849 1193345138 /nfs/dbraw/zinc/34/51/38/1193345138.db2.gz XSMIKRBWPXWPIH-UHFFFAOYSA-N 0 0 320.483 3.364 20 10 DGCDRN C[C@@H]([NH2+]CCN(C)C1CCCCC1)c1cc(C(=O)[O-])ccc1O ZINC001609782341 1193356858 /nfs/dbraw/zinc/35/68/58/1193356858.db2.gz ZUCSHZUJFCVRLH-CYBMUJFWSA-N 0 0 320.433 3.006 20 10 DGCDRN CCC(CC)[C@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)N(C)C ZINC001609916448 1193364705 /nfs/dbraw/zinc/36/47/05/1193364705.db2.gz AGAGKIWBMQLYJT-LRDDRELGSA-N 0 0 322.449 3.107 20 10 DGCDRN CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)C12CCC2 ZINC001610034664 1193372859 /nfs/dbraw/zinc/37/28/59/1193372859.db2.gz UBSMXLTVBNFHKB-HFBAOOFYSA-N 0 0 319.401 3.089 20 10 DGCDRN CN(C)c1ccc(C[N@H+](Cc2ccc(C(=O)[O-])o2)C2CC2)cc1 ZINC001610104774 1193376749 /nfs/dbraw/zinc/37/67/49/1193376749.db2.gz HGPKLILKPCNZPE-UHFFFAOYSA-N 0 0 314.385 3.208 20 10 DGCDRN Cc1cc(C[NH2+][C@@]2(C)CCCC[C@@H]2C(=O)[O-])ccc1N(C)C ZINC001610460790 1193390279 /nfs/dbraw/zinc/39/02/79/1193390279.db2.gz FQDIAFJPBJYHKT-QAPCUYQASA-N 0 0 304.434 3.184 20 10 DGCDRN CCN(c1nnc(C)n1CCCSc1nccs1)C1CC1 ZINC001515377603 1186756830 /nfs/dbraw/zinc/75/68/30/1186756830.db2.gz BZKKODBIULVINN-UHFFFAOYSA-N 0 0 323.491 3.214 20 10 DGCDRN Cc1ccc2nc(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cn2c1 ZINC001517374877 1186810460 /nfs/dbraw/zinc/81/04/60/1186810460.db2.gz SLZZQCCSQSUDOX-AWEZNQCLSA-N 0 0 322.412 3.200 20 10 DGCDRN C[C@H]1CCN(c2nnc(C3SC=CC3=O)n2CC2CC2)[C@H]1C ZINC001518345891 1186837839 /nfs/dbraw/zinc/83/78/39/1186837839.db2.gz RVOBBGOLVHHGDJ-QWRGUYRKSA-N 0 0 318.446 3.357 20 10 DGCDRN CC[C@@H]1CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])[C@H]1C ZINC001612278703 1193449751 /nfs/dbraw/zinc/44/97/51/1193449751.db2.gz IBBGTLHUBKCFSP-PIEIZJNZSA-N 0 0 318.373 3.406 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2nc(C3CC3)cs2)cc1 ZINC001520740356 1186964341 /nfs/dbraw/zinc/96/43/41/1186964341.db2.gz AGNFQXJUISOQJB-UHFFFAOYSA-N 0 0 301.415 3.017 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1CCC(SC)CC1 ZINC001520738414 1186964578 /nfs/dbraw/zinc/96/45/78/1186964578.db2.gz LDNWOUGTEHPBGQ-UHFFFAOYSA-N 0 0 324.475 3.064 20 10 DGCDRN CC[C@H]1[C@H](C)CCN1c1nnc(C2SC=CC2=O)n1CC ZINC001520737654 1186964584 /nfs/dbraw/zinc/96/45/84/1186964584.db2.gz ANCZPWNABZGGSH-MNOVXSKESA-N 0 0 306.435 3.357 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2C[C@H]2C2CCCC2)cc1 ZINC001520906670 1186978537 /nfs/dbraw/zinc/97/85/37/1186978537.db2.gz TWCZHMAZKOFAJJ-ZFWWWQNUSA-N 0 0 314.389 3.405 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc3c(o2)CCCC3)c1 ZINC001521266930 1187010127 /nfs/dbraw/zinc/01/01/27/1187010127.db2.gz VLKFRSNDTYEZHI-LLVKDONJSA-N 0 0 315.369 3.364 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NC[C@@H]1C[C@@H]1C1CCCC1 ZINC001521349531 1187016774 /nfs/dbraw/zinc/01/67/74/1187016774.db2.gz KBLNQECYJUPOMQ-JKSUJKDBSA-N 0 0 302.418 3.360 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1ccccc1O ZINC001522030494 1187061624 /nfs/dbraw/zinc/06/16/24/1187061624.db2.gz SORNIZAZHRVSHX-FPRZBMBHSA-N 0 0 308.381 3.091 20 10 DGCDRN CCn1cc(Cl)cc1C(=O)NCc1ccc(N(C)C)cc1 ZINC001523212021 1187140586 /nfs/dbraw/zinc/14/05/86/1187140586.db2.gz LBPPCMFDJUEBFO-UHFFFAOYSA-N 0 0 305.809 3.157 20 10 DGCDRN C/C(=C/C(=O)N(Cc1ccco1)c1ccccn1)c1cnccn1 ZINC001527292300 1187419254 /nfs/dbraw/zinc/41/92/54/1187419254.db2.gz GLLBFEBWOYJRTM-KAMYIIQDSA-N 0 0 320.352 3.101 20 10 DGCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@H]2C=CCC2)CCCC1 ZINC001527939919 1187458325 /nfs/dbraw/zinc/45/83/25/1187458325.db2.gz JFIUKIBUFXENKT-AWEZNQCLSA-N 0 0 324.424 3.364 20 10 DGCDRN Cn1cc(/C=C/C(=O)N2CCCc3ccc(F)c(Cl)c32)cn1 ZINC001530376948 1187623828 /nfs/dbraw/zinc/62/38/28/1187623828.db2.gz DUTOTDUPVLUHAS-QPJJXVBHSA-N 0 0 319.767 3.205 20 10 DGCDRN COc1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]n1 ZINC001532338164 1187747266 /nfs/dbraw/zinc/74/72/66/1187747266.db2.gz VNYOUHIOXDHONM-UHFFFAOYSA-N 0 0 310.357 3.078 20 10 DGCDRN O=C(/C=C/c1ccc(Cl)nc1)N1CCCn2ncc(Cl)c21 ZINC001532491680 1187760024 /nfs/dbraw/zinc/76/00/24/1187760024.db2.gz CASBGYVGJAYASV-HWKANZROSA-N 0 0 323.183 3.035 20 10 DGCDRN Cc1ncccc1/C=C\C(=O)N1CCOc2c(Cl)cccc21 ZINC001532565943 1187766965 /nfs/dbraw/zinc/76/69/65/1187766965.db2.gz VRYWDEOBSVYYTF-FPLPWBNLSA-N 0 0 314.772 3.482 20 10 DGCDRN Cc1ccc(N(CC2CC2)C(=O)/C=C\c2cn(C)cn2)cc1F ZINC001534690278 1187915241 /nfs/dbraw/zinc/91/52/41/1187915241.db2.gz CIIBUUTXCZPVBI-VURMDHGXSA-N 0 0 313.376 3.324 20 10 DGCDRN C/C(=C/c1cccnc1)C(=O)N1CCOc2c(F)c(F)ccc21 ZINC001536464306 1188010280 /nfs/dbraw/zinc/01/02/80/1188010280.db2.gz DUEHGDOUMYSPSE-LUAWRHEFSA-N 0 0 316.307 3.189 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCCC[C@@H]2C)cc1 ZINC001616534013 1193541712 /nfs/dbraw/zinc/54/17/12/1193541712.db2.gz MLLUCJNQMDQFDT-YJBOKZPZSA-N 0 0 318.461 3.416 20 10 DGCDRN C/C(=C/c1cccnc1)C(=O)Nc1c2nonc2ccc1Cl ZINC001543805534 1188364632 /nfs/dbraw/zinc/36/46/32/1188364632.db2.gz GDUNHPWSQJYGAX-CLFYSBASSA-N 0 0 314.732 3.313 20 10 DGCDRN CC(C)N(Cc1ccco1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001544233189 1188383756 /nfs/dbraw/zinc/38/37/56/1188383756.db2.gz PGAALFMNRABPCH-UHFFFAOYSA-N 0 0 314.345 3.493 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cc(F)c2ncccc2c1 ZINC001545503361 1188431847 /nfs/dbraw/zinc/43/18/47/1188431847.db2.gz XXCPXLMZEZNUNK-UHFFFAOYSA-N 0 0 310.328 3.352 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2cnccc2c1 ZINC001556157737 1188987899 /nfs/dbraw/zinc/98/78/99/1188987899.db2.gz IWIMRRFZLKMRSC-LBPRGKRZSA-N 0 0 322.364 3.007 20 10 DGCDRN CC[C@@H](NC(=O)c1cc(C)n(-c2ccccc2C)c1C)[C@H](C)O ZINC001556585666 1189007184 /nfs/dbraw/zinc/00/71/84/1189007184.db2.gz BLBQDQSNPNVVDE-DOTOQJQBSA-N 0 0 314.429 3.292 20 10 DGCDRN Cc1ccccc1C1(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC001557157443 1189044961 /nfs/dbraw/zinc/04/49/61/1189044961.db2.gz IWXJEXDKFGALMU-VQHVLOKHSA-N 0 0 309.365 3.225 20 10 DGCDRN COc1nc(C(=O)N[C@H](C)c2ccccc2O)cc2ccccc21 ZINC001557967242 1189095203 /nfs/dbraw/zinc/09/52/03/1189095203.db2.gz XXODFFSIDAEGLT-GFCCVEGCSA-N 0 0 322.364 3.440 20 10 DGCDRN O=Cc1cc(C(=O)N2Cc3cccc(O)c3C2)c(Cl)s1 ZINC001558036398 1189100967 /nfs/dbraw/zinc/10/09/67/1189100967.db2.gz ZUDPGFSFHAUAKH-UHFFFAOYSA-N 0 0 307.758 3.076 20 10 DGCDRN C/C(=C\c1cccc(Cl)c1)C(=O)NCc1c(O)cccc1O ZINC001558533901 1189131824 /nfs/dbraw/zinc/13/18/24/1189131824.db2.gz MSTORITXQMYZBJ-DHZHZOJOSA-N 0 0 317.772 3.471 20 10 DGCDRN Cc1cc(C)nc(C(=O)NCc2c(O)ccc3ccccc32)c1 ZINC001558554136 1189132607 /nfs/dbraw/zinc/13/26/07/1189132607.db2.gz KMBBTZJAQJUEMD-UHFFFAOYSA-N 0 0 306.365 3.487 20 10 DGCDRN CC[C@@H](NC(=O)c1c(F)ccc(O)c1O)c1ccccc1OC ZINC001559026632 1189163937 /nfs/dbraw/zinc/16/39/37/1189163937.db2.gz RRJKQFKPWUQMRJ-GFCCVEGCSA-N 0 0 319.332 3.127 20 10 DGCDRN CCn1c2ccccc2nc(N[C@@H](C)c2ccccc2O)c1=O ZINC001559259198 1189188054 /nfs/dbraw/zinc/18/80/54/1189188054.db2.gz MLADSVGKJMKYKM-LBPRGKRZSA-N 0 0 309.369 3.295 20 10 DGCDRN CCOc1ccc(N(C)CCOc2ccc3c(c2)OCO3)cc1 ZINC001560122681 1189280996 /nfs/dbraw/zinc/28/09/96/1189280996.db2.gz DRXQFDYINIRBDQ-UHFFFAOYSA-N 0 0 315.369 3.329 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H](CCO)c1ccccc1 ZINC001560344726 1189315046 /nfs/dbraw/zinc/31/50/46/1189315046.db2.gz ISYMPZIZJQKMCU-CYBMUJFWSA-N 0 0 323.795 3.441 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCCNc1cccc(F)c1 ZINC001560413232 1189325714 /nfs/dbraw/zinc/32/57/14/1189325714.db2.gz BJQTWCGTQLZWIF-UHFFFAOYSA-N 0 0 310.319 3.401 20 10 DGCDRN Cn1cnc(-c2ccc(NCc3cc(F)cc(F)c3O)cc2)n1 ZINC001560435558 1189328568 /nfs/dbraw/zinc/32/85/68/1189328568.db2.gz SXFXUGZHSQWHMF-UHFFFAOYSA-N 0 0 316.311 3.078 20 10 DGCDRN Cc1cc(O)c(CNCC(F)(F)Br)c(Cl)c1 ZINC001560465165 1189331300 /nfs/dbraw/zinc/33/13/00/1189331300.db2.gz JJYOPZYWSJFQGB-UHFFFAOYSA-N 0 0 314.557 3.431 20 10 DGCDRN CCCC[C@@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)OC ZINC001560737694 1189371436 /nfs/dbraw/zinc/37/14/36/1189371436.db2.gz CUAKGUMDNHRXCR-IWAYRVGRSA-N 0 0 304.434 3.087 20 10 DGCDRN Cn1cnc(-c2ccc(NCc3ccc(Cl)cc3O)cc2)n1 ZINC001560742587 1189371926 /nfs/dbraw/zinc/37/19/26/1189371926.db2.gz HQRZEMHGLSFVJP-UHFFFAOYSA-N 0 0 314.776 3.453 20 10 DGCDRN COC(=O)c1ccc(CN(C)c2ccc(OC)c(Cl)c2)n1C ZINC001560745801 1189374078 /nfs/dbraw/zinc/37/40/78/1189374078.db2.gz AVZWPRSYASEMAM-UHFFFAOYSA-N 0 0 322.792 3.110 20 10 DGCDRN [O-]c1c(F)c(F)ccc1C[NH2+]CCc1ccc2[nH]ccc2c1 ZINC001560780911 1189380389 /nfs/dbraw/zinc/38/03/89/1189380389.db2.gz SHJVIMKPTSSBNS-UHFFFAOYSA-N 0 0 302.324 3.484 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC001560953789 1189410673 /nfs/dbraw/zinc/41/06/73/1189410673.db2.gz WQOHDXCBAJKFRC-INIZCTEOSA-N 0 0 311.372 3.499 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)C1CCC(C)CC1 ZINC001561243784 1189436502 /nfs/dbraw/zinc/43/65/02/1189436502.db2.gz CKHRVHBULHBSIP-UHFFFAOYSA-N 0 0 324.490 3.059 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)Nc1cnc(F)c(F)c1 ZINC001563384692 1189510571 /nfs/dbraw/zinc/51/05/71/1189510571.db2.gz PRYHPYQPBWLJEY-UHFFFAOYSA-N 0 0 313.691 3.041 20 10 DGCDRN CC[C@@H]1CCC[C@H]1CNC(=O)NCc1ccc(N(C)C)cc1 ZINC001563610451 1189522687 /nfs/dbraw/zinc/52/26/87/1189522687.db2.gz SBGXAESGDVJKRC-CVEARBPZSA-N 0 0 303.450 3.378 20 10 DGCDRN CC[C@H]1CCC[C@@H]1CNC(=O)NCc1ccc(N(C)C)cc1 ZINC001563610455 1189522764 /nfs/dbraw/zinc/52/27/64/1189522764.db2.gz SBGXAESGDVJKRC-JKSUJKDBSA-N 0 0 303.450 3.378 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CC(C3CCCCC3)C2)cc1 ZINC001563610444 1189522961 /nfs/dbraw/zinc/52/29/61/1189522961.db2.gz SAPWUDFZTYRXIQ-UHFFFAOYSA-N 0 0 315.461 3.474 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CC[C@H]2C2CCCC2)cc1F ZINC001563811205 1189536198 /nfs/dbraw/zinc/53/61/98/1189536198.db2.gz QSEXTVHIURIFCM-INIZCTEOSA-N 0 0 319.424 3.366 20 10 DGCDRN CC1(C)C(NC(=O)NCCCSc2nccs2)C1(C)C ZINC001564323660 1189569490 /nfs/dbraw/zinc/56/94/90/1189569490.db2.gz RXWSHNAPFVFKRV-UHFFFAOYSA-N 0 0 313.492 3.359 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)NCC12CCC(CC1)C2 ZINC001564481327 1189578219 /nfs/dbraw/zinc/57/82/19/1189578219.db2.gz DBXKAKIQUQZTJL-UHFFFAOYSA-N 0 0 308.809 3.425 20 10 DGCDRN C[C@H](NC(=O)NCc1cc(F)cnc1Cl)c1ccccc1O ZINC001564816278 1189598684 /nfs/dbraw/zinc/59/86/84/1189598684.db2.gz GNCMORVLCYZWQF-VIFPVBQESA-N 0 0 323.755 3.140 20 10 DGCDRN CC[C@H]1CCCC[C@@H]1CNC(=O)NCc1ccc(OC)cc1O ZINC001564846715 1189600677 /nfs/dbraw/zinc/60/06/77/1189600677.db2.gz BHHXFNTXHQRCNL-UONOGXRCSA-N 0 0 320.433 3.416 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001565279747 1189633703 /nfs/dbraw/zinc/63/37/03/1189633703.db2.gz IZHBCKGPBWZUGY-LEWSCRJBSA-N 0 0 308.809 3.424 20 10 DGCDRN CC(C)[C@@H](Cc1ccccc1)NC(=O)NCc1ccccc1O ZINC001565351312 1189639294 /nfs/dbraw/zinc/63/92/94/1189639294.db2.gz CYFPVFVWXILLPF-QGZVFWFLSA-N 0 0 312.413 3.459 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ocnc1-c1ccccc1 ZINC001566304187 1189760792 /nfs/dbraw/zinc/76/07/92/1189760792.db2.gz WBSCKYMQHXCOIK-UHFFFAOYSA-N 0 0 308.337 3.319 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ncc(Cl)cc1Cl ZINC001566304707 1189761148 /nfs/dbraw/zinc/76/11/48/1189761148.db2.gz ROIUKKDMFXUOBU-UHFFFAOYSA-N 0 0 311.168 3.366 20 10 DGCDRN COc1cc(F)cc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001566383656 1189766666 /nfs/dbraw/zinc/76/66/66/1189766666.db2.gz VHSRVPSJDXAAFF-UHFFFAOYSA-N 0 0 316.292 3.249 20 10 DGCDRN COc1ccc(CNC(=O)c2cccc3cccc(O)c32)c(O)c1 ZINC001568097418 1190419491 /nfs/dbraw/zinc/41/94/91/1190419491.db2.gz JUMNWDROGZJFQT-UHFFFAOYSA-N 0 0 323.348 3.190 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H]1CC[C@H](C)O1 ZINC001570152587 1190803940 /nfs/dbraw/zinc/80/39/40/1190803940.db2.gz RBHUWRSJFXKJBO-UONOGXRCSA-N 0 0 318.442 3.453 20 10 DGCDRN C[C@H](Cc1ccco1)C(=O)NCc1ccc2cccnc2c1O ZINC001570533434 1190878108 /nfs/dbraw/zinc/87/81/08/1190878108.db2.gz BJPIYANWJVHWCS-GFCCVEGCSA-N 0 0 310.353 3.028 20 10 DGCDRN CN(C)c1ccc(C[NH2+]Cc2cccc3nsnc32)cc1F ZINC001620756254 1191439290 /nfs/dbraw/zinc/43/92/90/1191439290.db2.gz IKHJZRBCMONVPZ-UHFFFAOYSA-N 0 0 316.405 3.186 20 10 DGCDRN CC(C)c1noc(CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])n1 ZINC001620770655 1191468994 /nfs/dbraw/zinc/46/89/94/1191468994.db2.gz YWJGNXPMMSWJFN-UHFFFAOYSA-N 0 0 313.760 3.023 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNCc1nnc2n1CCCCC2 ZINC001620697479 1193792205 /nfs/dbraw/zinc/79/22/05/1193792205.db2.gz BBBJELADEHFHCI-UHFFFAOYSA-N 0 0 323.444 3.094 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCc2ccc3ncccc3c2)c1 ZINC001621068844 1193798205 /nfs/dbraw/zinc/79/82/05/1193798205.db2.gz DFRNULWNDLTKEU-UHFFFAOYSA-N 0 0 323.352 3.181 20 10 DGCDRN COC(=O)c1cnc([C@H](C)N2CCc3cc(OC)ccc32)s1 ZINC001621194120 1193815899 /nfs/dbraw/zinc/81/58/99/1193815899.db2.gz GXRVEFWEKANGLJ-JTQLQIEISA-N 0 0 318.398 3.062 20 10 DGCDRN COc1ccc(OCC[N@H+](C)Cc2cc(F)cc(F)c2[O-])cc1 ZINC001621214396 1193817989 /nfs/dbraw/zinc/81/79/89/1193817989.db2.gz RUQVWJFTASMAGT-UHFFFAOYSA-N 0 0 323.339 3.190 20 10 DGCDRN C[C@H](Cc1ccno1)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC001621375643 1193834865 /nfs/dbraw/zinc/83/48/65/1193834865.db2.gz CUIWIYOVEZXWJU-MRVPVSSYSA-N 0 0 301.173 3.408 20 10 DGCDRN CN(Cc1cc(Cl)c(F)cc1[O-])C(C)(C)C[NH+]1CCCC1 ZINC001621400788 1193837687 /nfs/dbraw/zinc/83/76/87/1193837687.db2.gz OZKCKWGZZYIDDO-UHFFFAOYSA-N 0 0 314.832 3.491 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H](C)C(=O)OC(C)(C)C ZINC001621396548 1193837838 /nfs/dbraw/zinc/83/78/38/1193837838.db2.gz MSGZBXLVQLCBBC-GJZGRUSLSA-N 0 0 320.477 3.312 20 10 DGCDRN CCc1cccc(CNc2ccc(-n3nncc3C)cc2)c1O ZINC001621409206 1193838267 /nfs/dbraw/zinc/83/82/67/1193838267.db2.gz RXRLHLNYZOLEIF-UHFFFAOYSA-N 0 0 308.385 3.456 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cccc(-c2cnco2)c1 ZINC001622317805 1193894881 /nfs/dbraw/zinc/89/48/81/1193894881.db2.gz YQMFOFLDODJENX-UHFFFAOYSA-N 0 0 308.337 3.319 20 10 DGCDRN O=C(NCc1ccccc1O)c1cc2c(ccnc2Cl)o1 ZINC001622772939 1193911222 /nfs/dbraw/zinc/91/12/22/1193911222.db2.gz OUTIDBVKNYCPHU-UHFFFAOYSA-N 0 0 302.717 3.117 20 10 DGCDRN Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(N)cc2)c1C ZINC000036283776 1193920256 /nfs/dbraw/zinc/92/02/56/1193920256.db2.gz IHGPKJNGTGXHBU-UHFFFAOYSA-N 0 0 304.415 3.303 20 10 DGCDRN C[C@@H]1CCC[C@@H](C)N1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001623801186 1193966121 /nfs/dbraw/zinc/96/61/21/1193966121.db2.gz TWSIMXUMFCZCAM-NXEZZACHSA-N 0 0 320.414 3.220 20 10 DGCDRN COc1cc(C)c(NC(=O)NCc2cc(C)ccc2O)cc1F ZINC001623834650 1193968354 /nfs/dbraw/zinc/96/83/54/1193968354.db2.gz AINGRUWARKKLBV-UHFFFAOYSA-N 0 0 318.348 3.478 20 10 DGCDRN Cc1cc(CNC(=O)c2ncoc2C)c(C)n1-c1ccccc1 ZINC001624075481 1193979365 /nfs/dbraw/zinc/97/93/65/1193979365.db2.gz PZKQKPTYEQPAMW-UHFFFAOYSA-N 0 0 309.369 3.321 20 10 DGCDRN C[C@H](CCc1ccco1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001624367522 1193994899 /nfs/dbraw/zinc/99/48/99/1193994899.db2.gz KKVDDUBGIDKSHX-LLVKDONJSA-N 0 0 314.345 3.193 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cc(O)ccc2C)cc1 ZINC001625014511 1194027232 /nfs/dbraw/zinc/02/72/32/1194027232.db2.gz PCPKHHIPBQWRRG-UHFFFAOYSA-N 0 0 312.413 3.477 20 10 DGCDRN CC(C)(NC(=O)C1=CC(=O)CS1)c1ccccc1[N+](=O)[O-] ZINC001625181881 1194036629 /nfs/dbraw/zinc/03/66/29/1194036629.db2.gz QEIAUBFKHTXYFG-UHFFFAOYSA-N 0 0 306.343 3.027 20 10 DGCDRN Cc1cc(NC(=O)NCc2ccc(N(C)C)cc2)cn2ccnc12 ZINC001625232079 1194038569 /nfs/dbraw/zinc/03/85/69/1194038569.db2.gz OPSPDZSVVPLQMY-UHFFFAOYSA-N 0 0 323.400 3.030 20 10 DGCDRN COc1ccc(NC(=O)NCc2ccc(N(C)C)cc2)c(F)c1 ZINC001626920827 1194101958 /nfs/dbraw/zinc/10/19/58/1194101958.db2.gz DOXCMXHYHJRSMT-UHFFFAOYSA-N 0 0 317.364 3.222 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCc2c1cccc2Br ZINC001626959991 1194104663 /nfs/dbraw/zinc/10/46/63/1194104663.db2.gz PRDPSWMQHSJFHR-UHFFFAOYSA-N 0 0 324.199 3.419 20 10 DGCDRN O=C(CCc1ccc(F)cc1)NCc1ccc2cccnc2c1O ZINC001627068723 1194109566 /nfs/dbraw/zinc/10/95/66/1194109566.db2.gz DEEBWXIMPDQVTG-UHFFFAOYSA-N 0 0 324.355 3.329 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)c1cc(F)cc(F)c1 ZINC001627070448 1194109639 /nfs/dbraw/zinc/10/96/39/1194109639.db2.gz ZHBAFLHBPAFFHF-UHFFFAOYSA-N 0 0 314.291 3.149 20 10 DGCDRN CC(C)c1[nH]ccc1C(=O)NCc1ccc2cccnc2c1O ZINC001627073893 1194110474 /nfs/dbraw/zinc/11/04/74/1194110474.db2.gz ZKYKVIVMQAUARI-UHFFFAOYSA-N 0 0 309.369 3.322 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N(Cc1ccco1)c1ccccc1 ZINC001628026026 1194155199 /nfs/dbraw/zinc/15/51/99/1194155199.db2.gz GUUVOIWFXUIANP-UHFFFAOYSA-N 0 0 323.348 3.467 20 10 DGCDRN CCCc1cc(NC(=O)c2cc3cc(O)c(O)cc3s2)n[nH]1 ZINC001628261363 1194169263 /nfs/dbraw/zinc/16/92/63/1194169263.db2.gz VZRVTPCFKHMVFD-UHFFFAOYSA-N 0 0 317.370 3.240 20 10 DGCDRN Cc1ccc(C)c(OCC(=O)NCc2cc(Cl)ccc2O)c1 ZINC001628666899 1194190345 /nfs/dbraw/zinc/19/03/45/1194190345.db2.gz LROXYMZOTXLLJU-UHFFFAOYSA-N 0 0 319.788 3.358 20 10 DGCDRN O=Cc1ccc(/C=C\C(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001628680365 1194191181 /nfs/dbraw/zinc/19/11/81/1194191181.db2.gz HMCOFSBWDISEOT-YVMONPNESA-N 0 0 315.756 3.188 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc(-c3cn[nH]c3)cc2)cc1 ZINC001628708979 1194192522 /nfs/dbraw/zinc/19/25/22/1194192522.db2.gz RHNUWPBODHGUMR-UHFFFAOYSA-N 0 0 320.396 3.073 20 10 DGCDRN CC[C@H](Cc1ccccc1)N(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001628927711 1194204498 /nfs/dbraw/zinc/20/44/98/1194204498.db2.gz UBUDRVOVLGLLJC-MRXNPFEDSA-N 0 0 313.397 3.120 20 10 DGCDRN COc1cc(Cl)c(NC(=O)Cc2ccc(O)c(O)c2)cc1C ZINC001629248707 1194222605 /nfs/dbraw/zinc/22/26/05/1194222605.db2.gz BYQMRWPPPKVXOS-UHFFFAOYSA-N 0 0 321.760 3.249 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC[C@@H](O)C(C)C)cc1 ZINC001629373089 1194229476 /nfs/dbraw/zinc/22/94/76/1194229476.db2.gz MGZZDDDSMVAJJG-GOSISDBHSA-N 0 0 314.429 3.231 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC[C@H](O)C(C)C)cc1 ZINC001629373090 1194229504 /nfs/dbraw/zinc/22/95/04/1194229504.db2.gz MGZZDDDSMVAJJG-SFHVURJKSA-N 0 0 314.429 3.231 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Cc1cccc2ncccc12 ZINC001629954907 1194261856 /nfs/dbraw/zinc/26/18/56/1194261856.db2.gz JSOFGOOMOCODMT-UHFFFAOYSA-N 0 0 306.365 3.142 20 10 DGCDRN CC[C@H](C)[C@@H](O)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001629989655 1194263079 /nfs/dbraw/zinc/26/30/79/1194263079.db2.gz CLEHKYDGJZENAF-UGSOOPFHSA-N 0 0 314.429 3.231 20 10 DGCDRN CC1(C)CCC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC001630021400 1194265302 /nfs/dbraw/zinc/26/53/02/1194265302.db2.gz DFTLZOXJMIQQSA-OWNNVSBGSA-N 0 0 303.402 3.444 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1ccc(C(F)(F)F)s1 ZINC001630301652 1194279381 /nfs/dbraw/zinc/27/93/81/1194279381.db2.gz FSWAJCIFYKUXNO-UHFFFAOYSA-N 0 0 317.288 3.108 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC=CO1 ZINC001630709667 1194298848 /nfs/dbraw/zinc/29/88/48/1194298848.db2.gz LWQKKWNFEFIZKR-QGZVFWFLSA-N 0 0 302.418 3.182 20 10 DGCDRN CCC[C@@H](CC)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001631380975 1194332134 /nfs/dbraw/zinc/33/21/34/1194332134.db2.gz ROXUWHHQOABHCO-CQSZACIVSA-N 0 0 322.424 3.309 20 10 DGCDRN CC(C)(C)O[C@@H]1C[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001631439271 1194335004 /nfs/dbraw/zinc/33/50/04/1194335004.db2.gz ZXFSWCGQPFRSBE-RHSMWYFYSA-N 0 0 317.429 3.091 20 10 DGCDRN C[C@@H](NC(=O)CCc1nc2ccccc2[nH]1)c1ccccc1O ZINC001632247227 1194379090 /nfs/dbraw/zinc/37/90/90/1194379090.db2.gz VYFWTDDRICCSFO-GFCCVEGCSA-N 0 0 309.369 3.079 20 10 DGCDRN COC(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC001632249769 1194379373 /nfs/dbraw/zinc/37/93/73/1194379373.db2.gz AZKANFASIOHKRW-NSHDSACASA-N 0 0 314.341 3.062 20 10 DGCDRN Cc1ccc(C(C)(C)CNC(=O)c2ccc(C)c(O)c2O)cc1 ZINC001632690474 1194402025 /nfs/dbraw/zinc/40/20/25/1194402025.db2.gz HDEPFYBSZBTFLA-UHFFFAOYSA-N 0 0 313.397 3.422 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@H](O)C23CCC3)cc1 ZINC001632933145 1194412797 /nfs/dbraw/zinc/41/27/97/1194412797.db2.gz PEFSZLJHLHCCAE-MSOLQXFVSA-N 0 0 324.424 3.127 20 10 DGCDRN CS[C@H](C)CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001633499721 1194439858 /nfs/dbraw/zinc/43/98/58/1194439858.db2.gz OMGKQTWGAZIMAP-CQSZACIVSA-N 0 0 321.490 3.180 20 10 DGCDRN CCNc1ccc(Cl)cc1C(=O)NCc1cccc(O)c1O ZINC001633515504 1194440327 /nfs/dbraw/zinc/44/03/27/1194440327.db2.gz DAGABRDNWZUGMD-UHFFFAOYSA-N 0 0 320.776 3.113 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C)sc1C ZINC001634939157 1194524392 /nfs/dbraw/zinc/52/43/92/1194524392.db2.gz KQRMAEAMQGOTAY-UHFFFAOYSA-N 0 0 310.415 3.486 20 10 DGCDRN CC[C@@H]1CCCC[C@@H]1OCC(=O)NCc1c(O)cccc1F ZINC001635361154 1194547060 /nfs/dbraw/zinc/54/70/60/1194547060.db2.gz YDANCAUJDKDJGP-WBMJQRKESA-N 0 0 309.381 3.133 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CC2CCC1CC2 ZINC001635526125 1194556215 /nfs/dbraw/zinc/55/62/15/1194556215.db2.gz KFDBMDWJNAPXSM-QIMFLAQGSA-N 0 0 308.809 3.424 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H](O)CC(C)C)cc1 ZINC001635705146 1194566867 /nfs/dbraw/zinc/56/68/67/1194566867.db2.gz PVDQCJSZVVVFLQ-SFHVURJKSA-N 0 0 314.429 3.231 20 10 DGCDRN CSc1ncc(Cl)c(C(=O)N[C@@H](C)c2ccccc2O)n1 ZINC001635799208 1194572676 /nfs/dbraw/zinc/57/26/76/1194572676.db2.gz UHJSOSSARBRGIE-QMMMGPOBSA-N 0 0 323.805 3.049 20 10 DGCDRN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1ccccc1O ZINC001635804485 1194573207 /nfs/dbraw/zinc/57/32/07/1194573207.db2.gz WBIDXXRPPAWPMJ-JTQLQIEISA-N 0 0 318.304 3.239 20 10 DGCDRN C[C@H](NC(=O)c1cc(Cl)cc(F)c1N)c1ccccc1O ZINC001635803455 1194573670 /nfs/dbraw/zinc/57/36/70/1194573670.db2.gz GENKAUSGQGMPHB-QMMMGPOBSA-N 0 0 308.740 3.258 20 10 DGCDRN Cc1ccc(CCCCC(=O)NCc2c(O)cccc2O)cc1 ZINC001635843393 1194575271 /nfs/dbraw/zinc/57/52/71/1194575271.db2.gz PUKVPFGPDCKASL-UHFFFAOYSA-N 0 0 313.397 3.435 20 10 DGCDRN CCCc1nc(C(=O)NCc2c(O)ccc3ccccc32)co1 ZINC001635968697 1194582042 /nfs/dbraw/zinc/58/20/42/1194582042.db2.gz HGJPBUPVINQZIX-UHFFFAOYSA-N 0 0 310.353 3.416 20 10 DGCDRN CC(C)n1cnc(C(=O)NCc2c(O)ccc3ccccc32)c1 ZINC001635968478 1194582498 /nfs/dbraw/zinc/58/24/98/1194582498.db2.gz BKCJCWYAPPFFOD-UHFFFAOYSA-N 0 0 309.369 3.253 20 10 DGCDRN COc1cc(C(=O)NCc2c(O)ccc3ccccc32)ccc1O ZINC001635969253 1194583330 /nfs/dbraw/zinc/58/33/30/1194583330.db2.gz NNUQQPXDBJNSGV-UHFFFAOYSA-N 0 0 323.348 3.190 20 10 DGCDRN CCOc1cc(Cl)ccc1NC(=O)c1cccc(O)c1O ZINC001635986970 1194583922 /nfs/dbraw/zinc/58/39/22/1194583922.db2.gz GMEFICWNAVSLAR-UHFFFAOYSA-N 0 0 307.733 3.402 20 10 DGCDRN COc1ccc2[nH]c(C)c(C(=O)N3Cc4cccc(O)c4C3)c2c1 ZINC001636230408 1194601083 /nfs/dbraw/zinc/60/10/83/1194601083.db2.gz BOTWRWJVURCSAD-UHFFFAOYSA-N 0 0 322.364 3.347 20 10 DGCDRN O=C(N1Cc2cccc(O)c2C1)C(F)(F)c1ccccc1F ZINC001636230731 1194601468 /nfs/dbraw/zinc/60/14/68/1194601468.db2.gz GXBZQCHJXHYWAZ-UHFFFAOYSA-N 0 0 307.271 3.166 20 10 DGCDRN CCc1coc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)n1 ZINC001637224520 1194658094 /nfs/dbraw/zinc/65/80/94/1194658094.db2.gz RNYUDOJEJMPXJH-UHFFFAOYSA-N 0 0 310.357 3.292 20 10 DGCDRN Cc1ccc(-c2nc(CNC(=O)C3=CC(=O)CS3)co2)cc1 ZINC001637706986 1194683463 /nfs/dbraw/zinc/68/34/63/1194683463.db2.gz PTWZDZXDPKIRPB-UHFFFAOYSA-N 0 0 314.366 3.347 20 10 DGCDRN Cc1c(F)c(F)ccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001637856008 1194690361 /nfs/dbraw/zinc/69/03/61/1194690361.db2.gz NYGRBWRCQXFQSR-CLTKARDFSA-N 0 0 305.280 3.336 20 10 DGCDRN O=C(CCc1cc(Cl)cs1)NCc1ccc(O)cc1O ZINC001638352833 1194713684 /nfs/dbraw/zinc/71/36/84/1194713684.db2.gz WEWCDIKKFGOBEO-UHFFFAOYSA-N 0 0 311.790 3.062 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)NC[C@]12C[C@H]1CCCC2 ZINC001638438111 1194718749 /nfs/dbraw/zinc/71/87/49/1194718749.db2.gz UBASNWSTUALNMP-WBMJQRKESA-N 0 0 308.809 3.425 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCc1cscc1Cl ZINC001638456440 1194719730 /nfs/dbraw/zinc/71/97/30/1194719730.db2.gz AYESSOQUASNXHB-RQOWECAXSA-N 0 0 309.774 3.142 20 10 DGCDRN Cc1cc(C(=O)Nc2c[nH][nH]c2=O)c(C)n1-c1cccc(C)c1 ZINC001638735336 1194734643 /nfs/dbraw/zinc/73/46/43/1194734643.db2.gz CWGMFPKULCQZCG-UHFFFAOYSA-N 0 0 310.357 3.084 20 10 DGCDRN C[C@H](CC(=O)NCc1c(O)cccc1F)c1cccc(F)c1 ZINC001638863208 1194741489 /nfs/dbraw/zinc/74/14/89/1194741489.db2.gz KRSLMZKKXACLCD-LLVKDONJSA-N 0 0 305.324 3.480 20 10 DGCDRN CC[C@H](C)Oc1ccc(C(=O)NCc2c(O)cccc2O)cc1 ZINC001639289150 1194758891 /nfs/dbraw/zinc/75/88/91/1194758891.db2.gz LWZYKWXZXGNYDX-LBPRGKRZSA-N 0 0 315.369 3.205 20 10 DGCDRN CSc1ccc(/C=C/C(=O)NCc2c(O)cccc2O)s1 ZINC001639292637 1194759117 /nfs/dbraw/zinc/75/91/17/1194759117.db2.gz LEHXEPWFOXNIRH-FNORWQNLSA-N 0 0 321.423 3.211 20 10 DGCDRN O=C(CCCc1ccccc1Cl)NCc1ccc(O)cc1O ZINC001639444498 1194766778 /nfs/dbraw/zinc/76/67/78/1194766778.db2.gz NMQHSFIKQFPMDC-UHFFFAOYSA-N 0 0 319.788 3.390 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@]2(C)CC=CCC2)cc1 ZINC001639814147 1194783242 /nfs/dbraw/zinc/78/32/42/1194783242.db2.gz LWKFQANBUBXMQN-LJQANCHMSA-N 0 0 316.445 3.336 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H]1C[C@@H]1c1ccccc1 ZINC001639946333 1194788372 /nfs/dbraw/zinc/78/83/72/1194788372.db2.gz FCDWNAWUFZOIRS-LRDXNBAQSA-N 0 0 309.365 3.031 20 10 DGCDRN Cc1cccc(OCC(=O)NCc2cccc(Cl)c2O)c1 ZINC001640401814 1194811063 /nfs/dbraw/zinc/81/10/63/1194811063.db2.gz FPRPSAXVCXTQQC-UHFFFAOYSA-N 0 0 305.761 3.049 20 10 DGCDRN CCCN(Cc1ccccc1F)C(=O)Cc1ccc(O)c(O)c1 ZINC001640574171 1194819960 /nfs/dbraw/zinc/81/99/60/1194819960.db2.gz UFUMGEHELASXGJ-UHFFFAOYSA-N 0 0 317.360 3.218 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H](C2CCCC2)C1 ZINC001640659635 1194824352 /nfs/dbraw/zinc/82/43/52/1194824352.db2.gz QMOMHGVKYCKBGS-OAHLLOKOSA-N 0 0 303.402 3.069 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1cccc2c1COCC2 ZINC001640924931 1194832899 /nfs/dbraw/zinc/83/28/99/1194832899.db2.gz WXCXTYWBJWLXIL-UHFFFAOYSA-N 0 0 317.772 3.048 20 10 DGCDRN C[C@@H](C(=O)NCc1cc(Cl)ccc1O)c1cccc(O)c1 ZINC001640924475 1194832922 /nfs/dbraw/zinc/83/29/22/1194832922.db2.gz NHVCFYDNGOBKFY-SNVBAGLBSA-N 0 0 305.761 3.171 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccc(F)c3cccnc23)c1 ZINC001641732481 1194868805 /nfs/dbraw/zinc/86/88/05/1194868805.db2.gz CIFRSSVSJPANHD-UHFFFAOYSA-N 0 0 310.328 3.318 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cc(-c3ccccc3)on2)c1 ZINC001641728596 1194868951 /nfs/dbraw/zinc/86/89/51/1194868951.db2.gz CLEKZEFIVJRLOD-UHFFFAOYSA-N 0 0 308.337 3.286 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2[nH]c(=O)c3ccccc3c2C)c1 ZINC001641733159 1194868982 /nfs/dbraw/zinc/86/89/82/1194868982.db2.gz JWGMOLZOOODMSF-UHFFFAOYSA-N 0 0 322.364 3.193 20 10 DGCDRN CC(C)Cc1ccccc1CNC(=O)c1c(F)ccc(O)c1O ZINC001641771528 1194871015 /nfs/dbraw/zinc/87/10/15/1194871015.db2.gz VKNQRQJVMCTKGP-UHFFFAOYSA-N 0 0 317.360 3.365 20 10 DGCDRN O=C(NCc1csc(C(F)(F)F)c1)C1=CC(=O)CS1 ZINC001642135672 1194889477 /nfs/dbraw/zinc/88/94/77/1194889477.db2.gz YICFIWVLNKFURH-UHFFFAOYSA-N 0 0 307.318 3.464 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccc[n+]([O-])c1 ZINC001642381398 1194906047 /nfs/dbraw/zinc/90/60/47/1194906047.db2.gz CQJMLLMVSWUWSF-UHFFFAOYSA-N 0 0 313.382 3.041 20 10 DGCDRN O=c1[nH]nc(Cl)cc1N1CC=C(c2ccc(Cl)nc2)CC1 ZINC001642512602 1194915575 /nfs/dbraw/zinc/91/55/75/1194915575.db2.gz AOIZYPZVWRQGCQ-UHFFFAOYSA-N 0 0 323.183 3.178 20 10 DGCDRN CC[C@H](C)Oc1cc(C(=O)N[C@@H](C)c2ccccc2O)ccn1 ZINC001642831305 1194944151 /nfs/dbraw/zinc/94/41/51/1194944151.db2.gz WGFWMACZYOSLMZ-STQMWFEESA-N 0 0 314.385 3.456 20 10 DGCDRN C=CC(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC001642830814 1194944811 /nfs/dbraw/zinc/94/48/11/1194944811.db2.gz JMCYEXKZAAZNRT-LBPRGKRZSA-N 0 0 310.353 3.008 20 10 DGCDRN Cc1cc(CNC(=O)c2ncccc2O)c(C)n1-c1ccccc1 ZINC001643370456 1195018494 /nfs/dbraw/zinc/01/84/94/1195018494.db2.gz NRDVYTZQCCMHRV-UHFFFAOYSA-N 0 0 321.380 3.125 20 10 DGCDRN COc1ccc(N(CC(C)C)C[C@H]2CCC3(COC3)O2)cc1 ZINC001643477013 1195027764 /nfs/dbraw/zinc/02/77/64/1195027764.db2.gz ZCTMJIGERMLVMD-QGZVFWFLSA-N 0 0 305.418 3.106 20 10 DGCDRN Cc1[nH]c2ccc(C(=O)NCc3cccc(O)c3O)cc2c1C ZINC001643809662 1195055833 /nfs/dbraw/zinc/05/58/33/1195055833.db2.gz QNOWZNBZCVNOOK-UHFFFAOYSA-N 0 0 310.353 3.126 20 10 DGCDRN O=C(CCCc1c[nH]c2ccccc12)NCc1cccc(O)c1O ZINC001643809408 1195055911 /nfs/dbraw/zinc/05/59/11/1195055911.db2.gz MSOOCISIIRTALI-UHFFFAOYSA-N 0 0 324.380 3.218 20 10 DGCDRN COC(=O)c1cnc(SCCOc2cccc(F)c2)s1 ZINC001643952315 1195066881 /nfs/dbraw/zinc/06/68/81/1195066881.db2.gz NTNHDWARPGTQFD-UHFFFAOYSA-N 0 0 313.375 3.240 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H](C)CC[C@@H]2CO)cc1 ZINC001644506198 1195114295 /nfs/dbraw/zinc/11/42/95/1195114295.db2.gz CTTGWRQUPHGKKU-CRAIPNDOSA-N 0 0 312.413 3.080 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)C1=Cc2ccccc2OC1 ZINC001644587821 1195119051 /nfs/dbraw/zinc/11/90/51/1195119051.db2.gz SRCSPXPTNXKJKN-UHFFFAOYSA-N 0 0 315.756 3.138 20 10 DGCDRN COc1ccc2cc(C(=O)NCc3cccc(O)c3O)ccc2c1 ZINC001644707780 1195128151 /nfs/dbraw/zinc/12/81/51/1195128151.db2.gz AAGBHJLIZBZTCH-UHFFFAOYSA-N 0 0 323.348 3.190 20 10 DGCDRN Cc1cc2cc(C(=O)NCc3cccc(O)c3O)oc2cc1C ZINC001644711155 1195128848 /nfs/dbraw/zinc/12/88/48/1195128848.db2.gz UQQKDOVWGGIITM-UHFFFAOYSA-N 0 0 311.337 3.391 20 10 DGCDRN CCc1cc(C(=O)OC)ccc1NC(=O)C1=CC(=O)CS1 ZINC001644951439 1195145611 /nfs/dbraw/zinc/14/56/11/1195145611.db2.gz YBBCSNWKNDYWSG-UHFFFAOYSA-N 0 0 305.355 3.055 20 10 DGCDRN Cc1cc(F)ccc1[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001645006477 1195149956 /nfs/dbraw/zinc/14/99/56/1195149956.db2.gz FHEJJPKRQMCBBK-WNPFHQFXSA-N 0 0 315.344 3.436 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cnn(C2CCC2)c1 ZINC001645443215 1195184454 /nfs/dbraw/zinc/18/44/54/1195184454.db2.gz IOSBVYKJSSCCOQ-UHFFFAOYSA-N 0 0 321.380 3.397 20 10 DGCDRN CCc1c(C(=O)NCc2c(O)ccc3ccccc32)ccn1C ZINC001645443011 1195184468 /nfs/dbraw/zinc/18/44/68/1195184468.db2.gz DNQDAGAYSKIEKY-UHFFFAOYSA-N 0 0 308.381 3.376 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2scnc2C(F)(F)F)c1 ZINC001645805138 1195201605 /nfs/dbraw/zinc/20/16/05/1195201605.db2.gz TYALZNHKBZCDPS-UHFFFAOYSA-N 0 0 316.304 3.106 20 10 DGCDRN COc1cc(Cl)ccc1C(=O)NCc1cc(C)ccc1O ZINC001645800846 1195201794 /nfs/dbraw/zinc/20/17/94/1195201794.db2.gz WFCIXQIGGKMQMB-UHFFFAOYSA-N 0 0 305.761 3.293 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H](C)c2c(F)cccc2F)c1 ZINC001645800477 1195201898 /nfs/dbraw/zinc/20/18/98/1195201898.db2.gz GJVMEPCGMNZUJM-NSHDSACASA-N 0 0 305.324 3.399 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cc(F)c(F)c(F)c2F)c1 ZINC001645800535 1195201914 /nfs/dbraw/zinc/20/19/14/1195201914.db2.gz IQKJCHJKJUZYKH-UHFFFAOYSA-N 0 0 313.250 3.187 20 10 DGCDRN CC1(c2ccccc2)CN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001646226175 1195218170 /nfs/dbraw/zinc/21/81/70/1195218170.db2.gz WWQLZJUNRGBTSB-UHFFFAOYSA-N 0 0 322.368 3.263 20 10 DGCDRN COc1ccc(O[C@@H](C)C[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC001647036003 1195242771 /nfs/dbraw/zinc/24/27/71/1195242771.db2.gz OBFSHMJEKVEOFT-NSHDSACASA-N 0 0 323.339 3.236 20 10 DGCDRN CCOc1ccc(N(Cc2c(C)nnn2CC)CC2CC2)cc1 ZINC001648030315 1195271800 /nfs/dbraw/zinc/27/18/00/1195271800.db2.gz KXYXZQMXXPUXND-UHFFFAOYSA-N 0 0 314.433 3.422 20 10 DGCDRN C[C@@H](NCc1nc(Cc2ccccc2)no1)c1ccccc1O ZINC001648054072 1195273654 /nfs/dbraw/zinc/27/36/54/1195273654.db2.gz NBGNVVQSTDARMG-CYBMUJFWSA-N 0 0 309.369 3.217 20 10 DGCDRN COc1cncc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1 ZINC001648527799 1195307792 /nfs/dbraw/zinc/30/77/92/1195307792.db2.gz UQRSGSJZMRZLHF-UHFFFAOYSA-N 0 0 322.368 3.145 20 10 DGCDRN Cc1scc(CNC(=O)/C=C/c2ccc(O)c(O)c2)c1C ZINC001648596606 1195311846 /nfs/dbraw/zinc/31/18/46/1195311846.db2.gz FQFYLRLKNGWSJS-GQCTYLIASA-N 0 0 303.383 3.106 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@@H](F)Cc1ccccc1 ZINC001648606426 1195312915 /nfs/dbraw/zinc/31/29/15/1195312915.db2.gz QLSIEWGDXCXDDY-AWEZNQCLSA-N 0 0 307.752 3.243 20 10 DGCDRN O=C(Nc1cc(F)cc(OC(F)F)c1)C1=CC(=O)CS1 ZINC001650625835 1195366377 /nfs/dbraw/zinc/36/63/77/1195366377.db2.gz OWJJCCNBZQGGAF-UHFFFAOYSA-N 0 0 303.261 3.447 20 10 DGCDRN O=C(CCc1cccc(F)c1F)N1Cc2cccc(O)c2C1 ZINC001650674533 1195370477 /nfs/dbraw/zinc/37/04/77/1195370477.db2.gz GNLCOYRXKWXFLN-UHFFFAOYSA-N 0 0 303.308 3.145 20 10 DGCDRN Nc1c(Cl)c(Cl)ccc1C(=O)N1Cc2cccc(O)c2C1 ZINC001650674410 1195370744 /nfs/dbraw/zinc/37/07/44/1195370744.db2.gz BCSMRBJVKIBIFM-UHFFFAOYSA-N 0 0 323.179 3.437 20 10 DGCDRN O=C(c1cscc1Br)N1Cc2cccc(O)c2C1 ZINC001650675215 1195370815 /nfs/dbraw/zinc/37/08/15/1195370815.db2.gz UAMAMBWQAQGQRR-UHFFFAOYSA-N 0 0 324.199 3.372 20 10 DGCDRN O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001651021719 1195404711 /nfs/dbraw/zinc/40/47/11/1195404711.db2.gz BTKDNEJXCAXROF-UHFFFAOYSA-N 0 0 324.739 3.425 20 10 DGCDRN Cc1nc(-c2ccc(NC(=O)c3cccc(O)c3O)cc2)[nH]c1C ZINC001651067989 1195409705 /nfs/dbraw/zinc/40/97/05/1195409705.db2.gz OBVOELFEPDOMHQ-UHFFFAOYSA-N 0 0 323.352 3.357 20 10 DGCDRN CCC1(CC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)COC1 ZINC001651177204 1195423454 /nfs/dbraw/zinc/42/34/54/1195423454.db2.gz NZVJFEFQYZXRRK-UHFFFAOYSA-N 0 0 318.461 3.306 20 10 DGCDRN O=C(CCSCc1ccccc1)NCc1cccc(O)c1O ZINC001651175582 1195423482 /nfs/dbraw/zinc/42/34/82/1195423482.db2.gz CYZLJOZAORKPMX-UHFFFAOYSA-N 0 0 317.410 3.038 20 10 DGCDRN C[C@@H]1CCc2sc(C(=O)NCc3cc(O)ccc3O)cc2C1 ZINC001651223029 1195427794 /nfs/dbraw/zinc/42/77/94/1195427794.db2.gz WQOGYZBBCGFFHH-SNVBAGLBSA-N 0 0 317.410 3.214 20 10 DGCDRN Cc1ccc2c(CC(=O)NCc3cc(O)ccc3O)coc2c1 ZINC001651223193 1195427847 /nfs/dbraw/zinc/42/78/47/1195427847.db2.gz YXUWFDVQXKPPLY-UHFFFAOYSA-N 0 0 311.337 3.011 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1ccccc1-c1ccncc1 ZINC001651225542 1195428632 /nfs/dbraw/zinc/42/86/32/1195428632.db2.gz NZAIMPIZWJRRSL-UHFFFAOYSA-N 0 0 320.348 3.090 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H](CO)CCc1ccccc1 ZINC001651582512 1195482171 /nfs/dbraw/zinc/48/21/71/1195482171.db2.gz RJBDUDDGQOMBDW-ZDUSSCGKSA-N 0 0 323.795 3.268 20 10 DGCDRN COC(=O)c1cnc(SCc2ccc(C(=O)OC)cc2)s1 ZINC001652001752 1195534462 /nfs/dbraw/zinc/53/44/62/1195534462.db2.gz BWDYORGQOPJMIS-UHFFFAOYSA-N 0 0 323.395 3.009 20 10 DGCDRN COC(=O)c1cnc(S/C=C/c2ccc([N+](=O)[O-])o2)s1 ZINC001652002677 1195535339 /nfs/dbraw/zinc/53/53/39/1195535339.db2.gz PLVZUGIEQYYMEX-SNAWJCMRSA-N 0 0 312.328 3.194 20 10 DGCDRN COc1ccc2c(c1)OCCN(Cc1ccc(Cl)cc1O)C2 ZINC001652294881 1195577250 /nfs/dbraw/zinc/57/72/50/1195577250.db2.gz DQQOUAAIWZBVAP-UHFFFAOYSA-N 0 0 319.788 3.449 20 10 DGCDRN CN(C)c1cc(F)c(CN2CCO[C@@H](C(C)(C)C)C2)cc1F ZINC001652354917 1195586669 /nfs/dbraw/zinc/58/66/69/1195586669.db2.gz HOHUSKBHQQLMKH-MRXNPFEDSA-N 0 0 312.404 3.278 20 10 DGCDRN [O-]c1c(F)cccc1C[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC001652494515 1195607444 /nfs/dbraw/zinc/60/74/44/1195607444.db2.gz SNLMIFSSAKSZGZ-UHFFFAOYSA-N 0 0 300.255 3.235 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1cc(Cl)sc1Cl ZINC001652623233 1195627952 /nfs/dbraw/zinc/62/79/52/1195627952.db2.gz QPEMLYLSURVVOO-UHFFFAOYSA-N 0 0 318.181 3.396 20 10 DGCDRN C[C@@H]1Cc2cc(NC(=O)/C=C\c3ccc(O)c(O)c3)ccc2O1 ZINC001652972582 1195676631 /nfs/dbraw/zinc/67/66/31/1195676631.db2.gz JITQIVHHXJNASV-KGHNQEBZSA-N 0 0 311.337 3.073 20 10 DGCDRN [O-]c1cccc(F)c1C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC001653131250 1195690560 /nfs/dbraw/zinc/69/05/60/1195690560.db2.gz HDWJINPSTRCCCG-UHFFFAOYSA-N 0 0 301.361 3.189 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1nc(C(C)(C)C)co1 ZINC001653144766 1195692404 /nfs/dbraw/zinc/69/24/04/1195692404.db2.gz MLKXTIVVDOWAJJ-UHFFFAOYSA-N 0 0 315.417 3.437 20 10 DGCDRN CSc1ccc(O)c(C(=O)NCc2cccc(Cl)c2O)c1 ZINC001653567399 1195735224 /nfs/dbraw/zinc/73/52/24/1195735224.db2.gz XTVHGKUGHNMMIC-UHFFFAOYSA-N 0 0 323.801 3.403 20 10 DGCDRN CCN(C[C@@H]1CC[C@H](C2CC2)O1)c1ccc(OC)c(OC)c1 ZINC001653749376 1195748081 /nfs/dbraw/zinc/74/80/81/1195748081.db2.gz LZXPKRLTQKXXLE-JKSUJKDBSA-N 0 0 305.418 3.488 20 10 DGCDRN CSc1cccc(NC(=O)c2ccc(N=NC(N)=O)cc2)n1 ZINC001654558087 1195816493 /nfs/dbraw/zinc/81/64/93/1195816493.db2.gz CGGLNWIUNQSAPJ-UHFFFAOYSA-N 0 0 315.358 3.218 20 10 DGCDRN O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1c(F)ccc(O)c1O ZINC001654619434 1195824449 /nfs/dbraw/zinc/82/44/49/1195824449.db2.gz NTHNVBTWNXCDDO-UMSPYCQHSA-N 0 0 319.307 3.052 20 10 DGCDRN Cc1cccc2c1CCC[C@@H]2NC(=O)c1c(F)ccc(O)c1O ZINC001654747700 1195835574 /nfs/dbraw/zinc/83/55/74/1195835574.db2.gz RCVHIZYNEFVUPT-AWEZNQCLSA-N 0 0 315.344 3.353 20 10 DGCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1cnsn1 ZINC001654793130 1195842277 /nfs/dbraw/zinc/84/22/77/1195842277.db2.gz CAOJYCVOPQTIJW-CYBMUJFWSA-N 0 0 303.431 3.382 20 10 DGCDRN Cc1cc2nc(Cl)cc(N(C)Cc3ccccc3O)n2n1 ZINC001655286645 1195900167 /nfs/dbraw/zinc/90/01/67/1195900167.db2.gz SMAVYBDFQLFLKD-UHFFFAOYSA-N 0 0 302.765 3.033 20 10 DGCDRN Cc1cc(CNc2ncc(C=O)cn2)c(C)n1-c1ccccc1 ZINC001655750816 1195959928 /nfs/dbraw/zinc/95/99/28/1195959928.db2.gz UKZDVAVJUWIRHK-UHFFFAOYSA-N 0 0 306.369 3.309 20 10 DGCDRN O=C1COc2ccc(NCc3cc(Cl)cc(F)c3O)cc2N1 ZINC001656120230 1196007053 /nfs/dbraw/zinc/00/70/53/1196007053.db2.gz LRHCTRGCHSMSID-UHFFFAOYSA-N 0 0 322.723 3.128 20 10 DGCDRN CNC(=O)c1cccc(NCc2cc(Cl)cc(F)c2O)c1C ZINC001656151377 1196010827 /nfs/dbraw/zinc/01/08/27/1196010827.db2.gz IBQHTEJGUDMNMF-UHFFFAOYSA-N 0 0 322.767 3.465 20 10 DGCDRN CCc1nnc([C@H](C)NCc2ccc(N3CCCCC3)cc2)[nH]1 ZINC001657087523 1196103235 /nfs/dbraw/zinc/10/32/35/1196103235.db2.gz GQCIEXFFFNLBRR-AWEZNQCLSA-N 0 0 313.449 3.208 20 10 DGCDRN O=C1NCc2ccc(NCc3cc(Cl)cc(F)c3O)cc21 ZINC001657435461 1196140648 /nfs/dbraw/zinc/14/06/48/1196140648.db2.gz UVPDDGDYPIQYDD-UHFFFAOYSA-N 0 0 306.724 3.040 20 10 DGCDRN CC(C)c1ccc(O)c(CN2CCN(CC(F)(F)F)CC2)c1 ZINC001657560979 1196154799 /nfs/dbraw/zinc/15/47/99/1196154799.db2.gz IDBDTTCINYHNOO-UHFFFAOYSA-N 0 0 316.367 3.196 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1ccccc1-n1cccn1 ZINC001657583446 1196157272 /nfs/dbraw/zinc/15/72/72/1196157272.db2.gz GXWOVJIUUTWNTO-UHFFFAOYSA-N 0 0 315.323 3.146 20 10 DGCDRN CCN(C[C@H]1CCC[C@]2(CCOC2)O1)c1ccc(OC)cc1 ZINC001657657932 1196166486 /nfs/dbraw/zinc/16/64/86/1196166486.db2.gz WFGLOWQPEBRAOK-QZTJIDSGSA-N 0 0 305.418 3.250 20 10 DGCDRN COCC[N@H+](Cc1ccccn1)Cc1ccc(Cl)cc1O ZINC001657999720 1196200617 /nfs/dbraw/zinc/20/06/17/1196200617.db2.gz JRKHWHLDYIEXES-UHFFFAOYSA-N 0 0 306.793 3.089 20 10 DGCDRN CN(C)CC[N@@H+](Cc1cc(F)ccc1O)CC1CCCCC1 ZINC001658004330 1196200698 /nfs/dbraw/zinc/20/06/98/1196200698.db2.gz XWMQFNMGYWIVES-UHFFFAOYSA-N 0 0 308.441 3.475 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNc1nnn(C)c1C(F)F ZINC001658111875 1196212623 /nfs/dbraw/zinc/21/26/23/1196212623.db2.gz LEDJSOJGZOQQJP-UHFFFAOYSA-N 0 0 305.332 3.165 20 10 DGCDRN [O-]c1c(F)c(F)ccc1C[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC001658198543 1196224762 /nfs/dbraw/zinc/22/47/62/1196224762.db2.gz ZYGJPEJOEWVBFQ-CYBMUJFWSA-N 0 0 313.731 3.147 20 10 DGCDRN COC(=O)C(C)(C)CCN1CCCCc2cc(OC)ccc21 ZINC001658244045 1196229496 /nfs/dbraw/zinc/22/94/96/1196229496.db2.gz MWZHDCCJHZFWEQ-UHFFFAOYSA-N 0 0 305.418 3.427 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1CCO[C@](C)(C(F)(F)F)C1 ZINC001658751243 1196296058 /nfs/dbraw/zinc/29/60/58/1196296058.db2.gz CNSQZAUCCZDFPR-HNNXBMFYSA-N 0 0 316.367 3.214 20 10 DGCDRN Oc1cccc2c1CN(Cc1ccncc1Br)C2 ZINC001658768150 1196298667 /nfs/dbraw/zinc/29/86/67/1196298667.db2.gz BEWNSTPZIGSANK-UHFFFAOYSA-N 0 0 305.175 3.066 20 10 DGCDRN COC[C@@H](CN1CCCc2cc(OC)cc(OC)c21)C(C)C ZINC001659017259 1196331954 /nfs/dbraw/zinc/33/19/54/1196331954.db2.gz WNRSQXURLMBLHM-OAHLLOKOSA-N 0 0 307.434 3.375 20 10 DGCDRN COC(=O)c1c(CN2CCC=C(C)C2)c2cc(F)ccc2n1C ZINC001659021537 1196333605 /nfs/dbraw/zinc/33/36/05/1196333605.db2.gz DDUMLAOATQJBEW-UHFFFAOYSA-N 0 0 316.376 3.256 20 10 DGCDRN CC(C)C[C@@H]1COCCN1Cc1cc(F)c(N(C)C)cc1F ZINC001659156843 1196353423 /nfs/dbraw/zinc/35/34/23/1196353423.db2.gz FDZWIMVQOPGCSH-CQSZACIVSA-N 0 0 312.404 3.278 20 10 DGCDRN CNC(=O)Oc1cccc(NCc2c(C)cc(OC)cc2O)c1 ZINC001659293795 1196367722 /nfs/dbraw/zinc/36/77/22/1196367722.db2.gz KTVYRXBLWCXLTR-UHFFFAOYSA-N 0 0 316.357 3.040 20 10 DGCDRN COC(=O)c1cc(NCc2cc(F)c(F)cc2O)ccc1C ZINC001659288088 1196368047 /nfs/dbraw/zinc/36/80/47/1196368047.db2.gz ASCGGENVPRYUEW-UHFFFAOYSA-N 0 0 307.296 3.378 20 10 DGCDRN CC(C)[C@@H]1[N@H+](Cc2cc(F)c(F)cc2[O-])CC12CCOCC2 ZINC001659461408 1196385533 /nfs/dbraw/zinc/38/55/33/1196385533.db2.gz RPPMFQONIFOGKC-INIZCTEOSA-N 0 0 311.372 3.307 20 10 DGCDRN CCOC(=O)[C@@H](C)N(Cc1cc(Cl)c(C)cc1O)C1CC1 ZINC001659477221 1196387402 /nfs/dbraw/zinc/38/74/02/1196387402.db2.gz PTPRABWSMRUBPX-LLVKDONJSA-N 0 0 311.809 3.270 20 10 DGCDRN CCCCC[C@H](NCc1ccc(N(C)C)cc1C)C(=O)OC ZINC001659490851 1196388757 /nfs/dbraw/zinc/38/87/57/1196388757.db2.gz MNZPRFCLXPFNBA-KRWDZBQOSA-N 0 0 306.450 3.273 20 10 DGCDRN CN(C)c1cc(F)c(CN2CC(CC3CCOCC3)C2)cc1F ZINC001659925222 1196429354 /nfs/dbraw/zinc/42/93/54/1196429354.db2.gz IHRDXGXQUBKMKO-UHFFFAOYSA-N 0 0 324.415 3.279 20 10 DGCDRN CNC(=O)c1ccc(NCc2cc(Cl)c(F)cc2O)c(C)c1 ZINC001659991399 1196435671 /nfs/dbraw/zinc/43/56/71/1196435671.db2.gz NFLXRJHRQISEKU-UHFFFAOYSA-N 0 0 322.767 3.465 20 10 DGCDRN CN(C)c1ccc(/C=C\CNc2ccccc2-n2nccn2)cc1 ZINC001660026431 1196438339 /nfs/dbraw/zinc/43/83/39/1196438339.db2.gz ZQTXUVFXBZMACT-WAYWQWQTSA-N 0 0 319.412 3.459 20 10 DGCDRN CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3ccc(Cl)cc3[O-])C2)n1 ZINC001660107624 1196446316 /nfs/dbraw/zinc/44/63/16/1196446316.db2.gz RPURGIBVUTUNLB-MFKMUULPSA-N 0 0 321.808 3.417 20 10 DGCDRN CC(C)(C)C(=O)N1CCC([NH2+]Cc2ccc(Cl)cc2[O-])CC1 ZINC001660135447 1196450105 /nfs/dbraw/zinc/45/01/05/1196450105.db2.gz CAHYUGYLPQZWLU-UHFFFAOYSA-N 0 0 324.852 3.172 20 10 DGCDRN COCc1ccc(NCc2c(C)cc(OC)cc2O)cc1OC ZINC001660408053 1196479973 /nfs/dbraw/zinc/47/99/73/1196479973.db2.gz GONSBDJRIKSVKJ-UHFFFAOYSA-N 0 0 317.385 3.476 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCc1c[nH]c2ccccc12 ZINC001660782083 1196523173 /nfs/dbraw/zinc/52/31/73/1196523173.db2.gz RUXADVOWFKKFOD-UHFFFAOYSA-N 0 0 302.324 3.484 20 10 DGCDRN CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3cc(F)c(F)cc3[O-])C2)n1 ZINC001660801095 1196527031 /nfs/dbraw/zinc/52/70/31/1196527031.db2.gz ZUCNHUQSHDXQKY-MWLCHTKSSA-N 0 0 323.343 3.042 20 10 DGCDRN CCOCc1cc(CNCc2nc(C)cs2)ccc1OC ZINC001660867577 1196537110 /nfs/dbraw/zinc/53/71/10/1196537110.db2.gz OVEONJFKDPYMDD-UHFFFAOYSA-N 0 0 306.431 3.286 20 10 DGCDRN CN(C)c1ccc(CNC(=O)OCCc2ccccc2)cc1F ZINC001661100680 1196566518 /nfs/dbraw/zinc/56/65/18/1196566518.db2.gz OZLVXPRDRWNSRD-UHFFFAOYSA-N 0 0 316.376 3.361 20 10 DGCDRN Cn1c2ccc(OS(=O)(=O)C3CCC3)cc2c2c1CCCC2 ZINC001662698288 1196742141 /nfs/dbraw/zinc/74/21/41/1196742141.db2.gz BKNDERVQHMIVTJ-UHFFFAOYSA-N 0 0 319.426 3.318 20 10 DGCDRN CCc1cc(Cl)cnc1NC(=O)NCc1c(O)cccc1F ZINC001663802974 1196946665 /nfs/dbraw/zinc/94/66/65/1196946665.db2.gz HGQFNBUZVDZHHR-UHFFFAOYSA-N 0 0 323.755 3.464 20 10 DGCDRN CCc1nc(CN(C)Cc2c(C)cc(OC)cc2O)cs1 ZINC001663937170 1196959354 /nfs/dbraw/zinc/95/93/54/1196959354.db2.gz NFDWXCBHXYWKNG-UHFFFAOYSA-N 0 0 306.431 3.360 20 10 DGCDRN COC(=O)COc1ccc(N(C)Cc2cccn2C(F)F)cc1 ZINC001664270238 1196985634 /nfs/dbraw/zinc/98/56/34/1196985634.db2.gz PJDHFCSMHSFUFV-UHFFFAOYSA-N 0 0 324.327 3.071 20 10 DGCDRN CC(C)C(C)(C)CS(=O)(=O)NCc1cc(Cl)ccc1O ZINC001664294981 1196987771 /nfs/dbraw/zinc/98/77/71/1196987771.db2.gz DTNIDFRMEUWUBD-UHFFFAOYSA-N 0 0 319.854 3.147 20 10 DGCDRN OCCCOc1ccc(NCc2cc(F)c(F)cc2O)cc1 ZINC001664659353 1197028551 /nfs/dbraw/zinc/02/85/51/1197028551.db2.gz PRUCUZAGVDCXOF-UHFFFAOYSA-N 0 0 309.312 3.044 20 10 DGCDRN Cc1cc(NC(=O)NCc2c(O)cccc2F)cc([N+](=O)[O-])c1 ZINC001665333002 1197124363 /nfs/dbraw/zinc/12/43/63/1197124363.db2.gz HOEJVKGKUFZTDH-UHFFFAOYSA-N 0 0 319.292 3.070 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc3occc(=O)c3c2)c1 ZINC001665404945 1197133328 /nfs/dbraw/zinc/13/33/28/1197133328.db2.gz MMUURQKWYDHAGU-UHFFFAOYSA-N 0 0 324.336 3.129 20 10 DGCDRN C[C@@]12CSC[C@@H]1C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C2 ZINC001665847365 1197206552 /nfs/dbraw/zinc/20/65/52/1197206552.db2.gz ABJWPPGQIPKYTM-IINYFYTJSA-N 0 0 301.814 3.370 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N[C@]3(C)CC=CCC3)ccc21 ZINC001667587911 1197365400 /nfs/dbraw/zinc/36/54/00/1197365400.db2.gz KGZRYXWMPBVZQQ-LJQANCHMSA-N 0 0 313.445 3.367 20 10 DGCDRN O=C(Nc1cccc(OCCF)c1)N1Cc2cccc(O)c2C1 ZINC001669810873 1197485842 /nfs/dbraw/zinc/48/58/42/1197485842.db2.gz VUZNLFLLFYGPHP-UHFFFAOYSA-N 0 0 316.332 3.288 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H](C)C1CCC1 ZINC001671294996 1197534542 /nfs/dbraw/zinc/53/45/42/1197534542.db2.gz ZPTLQQIUXFPGBF-GJZGRUSLSA-N 0 0 317.477 3.480 20 10 DGCDRN C[C@@H](NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1O ZINC001671790108 1197569966 /nfs/dbraw/zinc/56/99/66/1197569966.db2.gz SRUUGYCMRYMVJL-SECBINFHSA-N 0 0 319.292 3.322 20 10 DGCDRN C[C@H](NC(=O)NC[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC001671852159 1197575448 /nfs/dbraw/zinc/57/54/48/1197575448.db2.gz RYGCXMBOOOHKAB-CSAOUQSSSA-N 0 0 315.461 3.405 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cnc2ccccn12 ZINC001672933054 1197629242 /nfs/dbraw/zinc/62/92/42/1197629242.db2.gz NOFYSCYSOFUYSQ-UHFFFAOYSA-N 0 0 324.384 3.484 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)N[C@@H]1CC2CCC1CC2 ZINC001672988674 1197633333 /nfs/dbraw/zinc/63/33/33/1197633333.db2.gz MAROLYNNZQYUGF-QIMFLAQGSA-N 0 0 308.809 3.424 20 10 DGCDRN CSc1cccnc1NC(=O)N(C)Cc1ccccc1O ZINC001673343443 1197650293 /nfs/dbraw/zinc/65/02/93/1197650293.db2.gz ZQCJFZBUPZYMFT-UHFFFAOYSA-N 0 0 303.387 3.173 20 10 DGCDRN C[C@H](NC(=O)NCc1cc(Cl)ccc1O)c1cncc(F)c1 ZINC001673514015 1197670608 /nfs/dbraw/zinc/67/06/08/1197670608.db2.gz ZQIAMVQVAWLMBU-VIFPVBQESA-N 0 0 323.755 3.140 20 10 DGCDRN C[C@H](NC(=O)Nc1ccc2oc(=O)ccc2c1)c1ccccc1O ZINC001673870698 1197700617 /nfs/dbraw/zinc/70/06/17/1197700617.db2.gz PHBPYLJNNQCCML-NSHDSACASA-N 0 0 324.336 3.381 20 10 DGCDRN Cc1ccc(CNC(=O)NCc2cccc(Cl)c2O)cc1 ZINC001675741332 1198132091 /nfs/dbraw/zinc/13/20/91/1198132091.db2.gz FOABJRVQBTYWBA-UHFFFAOYSA-N 0 0 304.777 3.353 20 10 DGCDRN O=C(Nc1ccc(C(F)(F)F)nc1)N1Cc2cccc(O)c2C1 ZINC001675942999 1198177751 /nfs/dbraw/zinc/17/77/51/1198177751.db2.gz LLLDPHQFKRMLLO-UHFFFAOYSA-N 0 0 323.274 3.354 20 10 DGCDRN C[C@@H](CC1CCC1)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001676247317 1198260599 /nfs/dbraw/zinc/26/05/99/1198260599.db2.gz NVOKVAJEVPZTIU-LBPRGKRZSA-N 0 0 307.413 3.270 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC/C=C/C2CC2)cc1 ZINC001677039340 1198469440 /nfs/dbraw/zinc/46/94/40/1198469440.db2.gz JSOOTKGINVRRHH-AATRIKPKSA-N 0 0 301.434 3.298 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCCc2cccc(Cl)c2)c1 ZINC001677235596 1198497790 /nfs/dbraw/zinc/49/77/90/1198497790.db2.gz DVCFYTYMDZYFDX-UHFFFAOYSA-N 0 0 318.804 3.396 20 10 DGCDRN Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCc1c(O)cccc1F ZINC001677315980 1198513735 /nfs/dbraw/zinc/51/37/35/1198513735.db2.gz UEYBDLWHZFTEIN-INIZCTEOSA-N 0 0 314.360 3.326 20 10 DGCDRN CCOc1ccc2c(c1)C[N@@H+](Cc1cccc(OC)c1O)CC2 ZINC000092666597 1198595068 /nfs/dbraw/zinc/59/50/68/1198595068.db2.gz GOEOWPOQIYLXPK-UHFFFAOYSA-N 0 0 313.397 3.358 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC(C)(C)/C=C\Cl)cc1F ZINC001677946861 1198609369 /nfs/dbraw/zinc/60/93/69/1198609369.db2.gz CTZPAUCMQROKLS-FPLPWBNLSA-N 0 0 313.804 3.222 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC[C@@]2(C)CC2(C)C)cc1F ZINC001677947238 1198609448 /nfs/dbraw/zinc/60/94/48/1198609448.db2.gz PNAXUDVEDYBQIS-QGZVFWFLSA-N 0 0 307.413 3.127 20 10 DGCDRN COc1cccc(NC(=O)NCc2c(O)cccc2F)c1C ZINC001679209104 1198773926 /nfs/dbraw/zinc/77/39/26/1198773926.db2.gz HKACRBQMILYPGT-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN CC[C@H](C)[C@@H](C)NC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001679436083 1198793934 /nfs/dbraw/zinc/79/39/34/1198793934.db2.gz UMKZEJCZYPVGEM-LSDHHAIUSA-N 0 0 321.465 3.207 20 10 DGCDRN O=C(NCCCSc1nccs1)N1C[C@H]2CCCC[C@H]21 ZINC001680171101 1198865310 /nfs/dbraw/zinc/86/53/10/1198865310.db2.gz BMMJGJVYZJPBJW-VXGBXAGGSA-N 0 0 311.476 3.209 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1C=CCCC1 ZINC001680385873 1198875488 /nfs/dbraw/zinc/87/54/88/1198875488.db2.gz XRYPHLQDDKIDTG-DOTOQJQBSA-N 0 0 315.461 3.400 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H](C)C1(C)CC1 ZINC001683426282 1199269359 /nfs/dbraw/zinc/26/93/59/1199269359.db2.gz WPQPUFNFBOAPQB-GJZGRUSLSA-N 0 0 317.477 3.480 20 10 DGCDRN O=C(NCc1cccc2[nH]ccc21)N1Cc2cccc(O)c2C1 ZINC001684796057 1199415720 /nfs/dbraw/zinc/41/57/20/1199415720.db2.gz GCFQTQKQTHHGRX-UHFFFAOYSA-N 0 0 307.353 3.099 20 10 DGCDRN Cc1cccc(F)c1CNC(=O)N1Cc2cccc(O)c2C1 ZINC001684937229 1199427952 /nfs/dbraw/zinc/42/79/52/1199427952.db2.gz ZZCVHQSINGYTKJ-UHFFFAOYSA-N 0 0 300.333 3.065 20 10 DGCDRN O=C(NCCCSc1nccs1)N[C@@H]1CCCC[C@@H]1F ZINC001685539728 1199489173 /nfs/dbraw/zinc/48/91/73/1199489173.db2.gz VIPIPVMDOMLYTC-WDEREUQCSA-N 0 0 317.455 3.205 20 10 DGCDRN C[C@H](NC(=O)N[C@@H](C)c1ccccc1O)c1nc2ccccc2[nH]1 ZINC001686845136 1199594209 /nfs/dbraw/zinc/59/42/09/1199594209.db2.gz QVLZTFVIAZHHOF-RYUDHWBXSA-N 0 0 324.384 3.390 20 10 DGCDRN CN(C)c1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 ZINC000319997622 1199844217 /nfs/dbraw/zinc/84/42/17/1199844217.db2.gz MGWPXVDGLMDBLC-UHFFFAOYSA-N 0 0 309.369 3.457 20 10 DGCDRN COCCS(=O)(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000154289774 1202597310 /nfs/dbraw/zinc/59/73/10/1202597310.db2.gz YOCSXAFMHUMKEW-WUKNDPDISA-N 0 0 319.386 3.490 20 10 DGCDRN Cc1cc(C[N@@H+]2CCC[C@@]2(C)C(=O)[O-])ccc1N1CCCCC1 ZINC001594302650 957923582 /nfs/dbraw/zinc/92/35/82/957923582.db2.gz BRXBHEKVRHWWKD-IBGZPJMESA-N 0 0 316.445 3.424 20 10 DGCDRN C[N@H+](Cc1ccc(C(=O)[O-])o1)Cc1ccc(N2CCCC2)cc1 ZINC001140947095 960506572 /nfs/dbraw/zinc/50/65/72/960506572.db2.gz TYLREIXDOLZIHO-UHFFFAOYSA-N 0 0 314.385 3.210 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[NH2+][C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001605187122 972903261 /nfs/dbraw/zinc/90/32/61/972903261.db2.gz OLZADCVCGFUURF-KRWDZBQOSA-N 0 0 316.376 3.116 20 10 DGCDRN CC[C@@H](C)C[N@H+](C)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001594960616 982711141 /nfs/dbraw/zinc/71/11/41/982711141.db2.gz JQLZBALVLLVWNJ-LLVKDONJSA-N 0 0 306.381 3.494 20 10 DGCDRN CCN(C)c1ccc(C[N@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC001596194437 983577458 /nfs/dbraw/zinc/57/74/58/983577458.db2.gz MCMWUCYSFKEIRC-SZMVWBNQSA-N 0 0 316.445 3.360 20 10 DGCDRN C/C(=C\C(=O)[O-])C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC001588946573 984658304 /nfs/dbraw/zinc/65/83/04/984658304.db2.gz TVUIKZXCMGMAGD-UKTHLTGXSA-N 0 0 301.342 3.018 20 10 DGCDRN CN(C)c1ccc(C[N@H+](C)Cc2cc(C(=O)[O-])cs2)cc1 ZINC001598519195 992657324 /nfs/dbraw/zinc/65/73/24/992657324.db2.gz KAKUIZPKQRSNRO-UHFFFAOYSA-N 0 0 304.415 3.144 20 10 DGCDRN COc1ccc(F)c(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)c1 ZINC001599581582 998540161 /nfs/dbraw/zinc/54/01/61/998540161.db2.gz VGUKCOMJNHBSBX-JTQLQIEISA-N 0 0 319.332 3.089 20 10 DGCDRN CC1CC[NH+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])CC1 ZINC001594423455 999580490 /nfs/dbraw/zinc/58/04/90/999580490.db2.gz XBYJNURJNSFPRX-UHFFFAOYSA-N 0 0 304.365 3.248 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)[C@H]1C[C@@H]1C(=O)[O-] ZINC001594434227 999612835 /nfs/dbraw/zinc/61/28/35/999612835.db2.gz HMJGOMTZLCZBBR-OLMNPRSZSA-N 0 0 316.445 3.122 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H]1OC(C)(C)C ZINC001625794727 1081624474 /nfs/dbraw/zinc/62/44/74/1081624474.db2.gz OPDIKTMXUWUWAB-IAGOWNOFSA-N 0 0 318.461 3.305 20 10 DGCDRN Oc1ccc(CNc2cccc(Cc3ccncc3)n2)cc1O ZINC001169993666 1081803617 /nfs/dbraw/zinc/80/36/17/1081803617.db2.gz XAPHJCSCEJEOCG-UHFFFAOYSA-N 0 0 307.353 3.091 20 10 DGCDRN COC(=O)c1cnc2cc(NCc3ccc(O)c(O)c3)ccc2c1 ZINC001169994521 1081816508 /nfs/dbraw/zinc/81/65/08/1081816508.db2.gz CTMYULKLUGZKRO-UHFFFAOYSA-N 0 0 324.336 3.045 20 10 DGCDRN Oc1ccc(CNc2ccc(OC(F)(F)F)cn2)cc1O ZINC001169995211 1081817542 /nfs/dbraw/zinc/81/75/42/1081817542.db2.gz UGLVTDWCSUWTCX-UHFFFAOYSA-N 0 0 300.236 3.004 20 10 DGCDRN CCOc1c(F)cccc1C(=O)N[C@H](C)c1ccccc1O ZINC001648889682 1081954043 /nfs/dbraw/zinc/95/40/43/1081954043.db2.gz HMQQFHODIVBNMM-LLVKDONJSA-N 0 0 303.333 3.421 20 10 DGCDRN C[C@H](NC(=O)c1ccc(Cl)c(F)c1N)c1ccccc1O ZINC001648894838 1081955013 /nfs/dbraw/zinc/95/50/13/1081955013.db2.gz UEPLQAYNGPZNFG-QMMMGPOBSA-N 0 0 308.740 3.258 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccccc1-c1ncco1 ZINC001167441193 1082131787 /nfs/dbraw/zinc/13/17/87/1082131787.db2.gz ZHWACFTUQIIIGV-VURMDHGXSA-N 0 0 322.320 3.405 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H](c2ccccc2)C1 ZINC000588404648 1082148488 /nfs/dbraw/zinc/14/84/88/1082148488.db2.gz IEFPCAXRDKFKFM-DZFYGRHCSA-N 0 0 309.365 3.127 20 10 DGCDRN CC[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC000588405341 1082149978 /nfs/dbraw/zinc/14/99/78/1082149978.db2.gz BKJMGGLCTQJNSB-KLQCNHIUSA-N 0 0 311.381 3.421 20 10 DGCDRN Cc1cc(C)cc(CCNC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000588407171 1082154910 /nfs/dbraw/zinc/15/49/10/1082154910.db2.gz MNPDVINMDYYORO-XQRVVYSFSA-N 0 0 311.381 3.087 20 10 DGCDRN O=C(C=Cc1ccc(O)c(O)c1)Nc1c[nH]nc1-c1ccccc1 ZINC000588407301 1082155142 /nfs/dbraw/zinc/15/51/42/1082155142.db2.gz LDFSYBYOVWRGMJ-CLFYSBASSA-N 0 0 321.336 3.140 20 10 DGCDRN O=C(CNc1nccc2cc(F)ccc21)c1ccc(O)c(O)c1 ZINC001170316487 1082344895 /nfs/dbraw/zinc/34/48/95/1082344895.db2.gz GABNGIAIKZSDEG-UHFFFAOYSA-N 0 0 312.300 3.080 20 10 DGCDRN CCc1nc2cc(NCC(=O)c3ccc(O)c(O)c3)ccc2o1 ZINC001170315202 1082345250 /nfs/dbraw/zinc/34/52/50/1082345250.db2.gz UDJLZLCZDSGHGY-UHFFFAOYSA-N 0 0 312.325 3.096 20 10 DGCDRN CC(C)(C)c1ccnc(NCC(=O)c2ccc(O)c(O)c2)c1 ZINC001170323483 1082346009 /nfs/dbraw/zinc/34/60/09/1082346009.db2.gz ZEXFJOCUEMEHLP-UHFFFAOYSA-N 0 0 300.358 3.085 20 10 DGCDRN Cc1cncc(/C=C\C(=O)N2CCOc3c(F)cc(F)cc32)c1 ZINC001130638886 1082601388 /nfs/dbraw/zinc/60/13/88/1082601388.db2.gz RVPKFVOHYYVLDN-IHWYPQMZSA-N 0 0 316.307 3.107 20 10 DGCDRN CCC1(C(=O)N[C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)COC1 ZINC001143466089 1083009642 /nfs/dbraw/zinc/00/96/42/1083009642.db2.gz KMUWOHRRJSFFKK-INIZCTEOSA-N 0 0 317.429 3.175 20 10 DGCDRN Cc1cc(Cl)ncc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588408314 1083161786 /nfs/dbraw/zinc/16/17/86/1083161786.db2.gz HQTNOPYDZYPIKM-HYXAFXHYSA-N 0 0 304.733 3.107 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(F)cc1F ZINC000211998720 1083306236 /nfs/dbraw/zinc/30/62/36/1083306236.db2.gz NJGIXZUBZKZRJB-MDWZMJQESA-N 0 0 308.353 3.421 20 10 DGCDRN CC[C@@H](CC(C)C)C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001181821935 1083547449 /nfs/dbraw/zinc/54/74/49/1083547449.db2.gz MTZKIDMBLXHPCP-ZDUSSCGKSA-N 0 0 305.418 3.445 20 10 DGCDRN CC[C@H](CC(C)C)C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001181821933 1083547507 /nfs/dbraw/zinc/54/75/07/1083547507.db2.gz MTZKIDMBLXHPCP-CYBMUJFWSA-N 0 0 305.418 3.445 20 10 DGCDRN Cc1cc(O)c(CN[C@H](C(=O)OC(C)C)C(C)C)cc1Cl ZINC001181921273 1083584334 /nfs/dbraw/zinc/58/43/34/1083584334.db2.gz SKBSNLKIDRCNEF-HNNXBMFYSA-N 0 0 313.825 3.420 20 10 DGCDRN Cc1cccc(C2(NC(=O)CCc3ccc(O)c(O)c3)CC2)c1 ZINC001182157465 1083636797 /nfs/dbraw/zinc/63/67/97/1083636797.db2.gz QVFBEFCKFIUMMT-UHFFFAOYSA-N 0 0 311.381 3.144 20 10 DGCDRN O=C(NCc1ccccc1O)[C@H]1CCc2c3ccccc3[nH]c2C1 ZINC001182716077 1083785501 /nfs/dbraw/zinc/78/55/01/1083785501.db2.gz NXPHKWKIMQUDCR-ZDUSSCGKSA-N 0 0 320.392 3.295 20 10 DGCDRN COc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)cc1C ZINC001126081508 1083794451 /nfs/dbraw/zinc/79/44/51/1083794451.db2.gz CFNAQMXFDLMOKU-UHFFFAOYSA-N 0 0 312.413 3.308 20 10 DGCDRN COc1cc(C)c(CN2CCOc3cc(F)ccc3C2)c(O)c1 ZINC001183158450 1083895265 /nfs/dbraw/zinc/89/52/65/1083895265.db2.gz XIRUSHBUVQDYFC-UHFFFAOYSA-N 0 0 317.360 3.243 20 10 DGCDRN C[C@]1(C[NH2+]Cc2cc(F)c(F)cc2[O-])OCCc2ccccc21 ZINC001183519885 1083957734 /nfs/dbraw/zinc/95/77/34/1083957734.db2.gz GZLCZLPUUDDPSW-GOSISDBHSA-N 0 0 319.351 3.248 20 10 DGCDRN C[C@]1(c2cccc(NCc3cc(F)ccc3O)c2)COC(=O)N1 ZINC001183549340 1083968294 /nfs/dbraw/zinc/96/82/94/1083968294.db2.gz BBCKBKHUZWFTPW-QGZVFWFLSA-N 0 0 316.332 3.098 20 10 DGCDRN C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@H]1CO ZINC001203573486 1083991480 /nfs/dbraw/zinc/99/14/80/1083991480.db2.gz BXRGYPVYSGTIGE-ZANVPECISA-N 0 0 304.217 3.292 20 10 DGCDRN COC(=O)[C@H](NCc1ccc(Cl)cc1O)c1ccccc1 ZINC001184124617 1084102695 /nfs/dbraw/zinc/10/26/95/1084102695.db2.gz LSOAQVCPDDMPHJ-OAHLLOKOSA-N 0 0 305.761 3.050 20 10 DGCDRN C[C@@H]1CCC[C@@H](C(=O)N2CCCc3cc(O)c(O)cc3C2)C1 ZINC001184508764 1084205369 /nfs/dbraw/zinc/20/53/69/1084205369.db2.gz QYRQICBYZNCXNO-TZMCWYRMSA-N 0 0 303.402 3.199 20 10 DGCDRN CCc1ccc(-c2noc([C@H](O)c3ccc(N(C)C)cc3)n2)cc1 ZINC001211704289 1084284708 /nfs/dbraw/zinc/28/47/08/1084284708.db2.gz SBEVDBXCDUSYPS-QGZVFWFLSA-N 0 0 323.396 3.447 20 10 DGCDRN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N[C@H]1CCOC1 ZINC001185898281 1084548853 /nfs/dbraw/zinc/54/88/53/1084548853.db2.gz KTVBRUCIXDRMJX-ZDUSSCGKSA-N 0 0 312.325 3.027 20 10 DGCDRN CCN(Cc1ccccc1O)C(=O)NCCc1ccc(F)cc1 ZINC001186266980 1084623010 /nfs/dbraw/zinc/62/30/10/1084623010.db2.gz UNQUFUXOBKWCIO-UHFFFAOYSA-N 0 0 316.376 3.306 20 10 DGCDRN Oc1ccc(Br)cc1CN1CC(F)(C2CC2)C1 ZINC001203636558 1084633640 /nfs/dbraw/zinc/63/36/40/1084633640.db2.gz XGNUFZIIZMPALA-UHFFFAOYSA-N 0 0 300.171 3.089 20 10 DGCDRN Cc1cccnc1N1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC001203647993 1084709077 /nfs/dbraw/zinc/70/90/77/1084709077.db2.gz AZWJIQXQXZYRNN-UHFFFAOYSA-N 0 0 317.820 3.071 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC001651663698 1126253405 /nfs/dbraw/zinc/25/34/05/1126253405.db2.gz JGNOHEMPQLIWOX-GDBMZVCRSA-N 0 0 324.207 3.447 20 10 DGCDRN Oc1cc(O)c(CCNc2cccc(-n3cccc3)c2)cc1O ZINC001168005968 1086152006 /nfs/dbraw/zinc/15/20/06/1086152006.db2.gz QAEWYBRHXDZATI-UHFFFAOYSA-N 0 0 310.353 3.249 20 10 DGCDRN Oc1cc(O)c(CCNc2cccc(C(F)(F)F)c2)cc1O ZINC001168005971 1086152936 /nfs/dbraw/zinc/15/29/36/1086152936.db2.gz QBVHFDOOITZSBW-UHFFFAOYSA-N 0 0 313.275 3.477 20 10 DGCDRN COc1cc(C)c(NCCc2cc(O)c(O)cc2O)cc1Cl ZINC001168006063 1086154065 /nfs/dbraw/zinc/15/40/65/1086154065.db2.gz RMJFLLSMYKKJGS-UHFFFAOYSA-N 0 0 323.776 3.428 20 10 DGCDRN NC(=O)c1ccc(N(c2ccccc2)c2ccc(N)cc2)cn1 ZINC001203440993 1086305998 /nfs/dbraw/zinc/30/59/98/1086305998.db2.gz NXNLTMGLLUCWSZ-UHFFFAOYSA-N 0 0 304.353 3.233 20 10 DGCDRN C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c3cccnc3c2[O-])CCO1 ZINC001168079086 1086746779 /nfs/dbraw/zinc/74/67/79/1086746779.db2.gz OLAVPZSHPSEZTN-ZYHUDNBSSA-N 0 0 306.793 3.251 20 10 DGCDRN COC1(C)CC[NH+](Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233415951 1087661139 /nfs/dbraw/zinc/66/11/39/1087661139.db2.gz PRRDXCBBZWYABP-UHFFFAOYSA-N 0 0 303.324 3.412 20 10 DGCDRN Cc1ccc(C(=O)Nc2n[nH]cc2-c2ccccc2)c(O)c1O ZINC001158677281 1087970839 /nfs/dbraw/zinc/97/08/39/1087970839.db2.gz UFMDHDSXYUBHEK-UHFFFAOYSA-N 0 0 309.325 3.049 20 10 DGCDRN O=C(CCc1c[nH]c2ccccc12)N1Cc2cccc(O)c2C1 ZINC001152564527 1088002683 /nfs/dbraw/zinc/00/26/83/1088002683.db2.gz GXQGGKDIRGRUGX-UHFFFAOYSA-N 0 0 306.365 3.349 20 10 DGCDRN O=C(CSCc1ccc(F)cc1)N1Cc2cccc(O)c2C1 ZINC001152564559 1088002719 /nfs/dbraw/zinc/00/27/19/1088002719.db2.gz HJSLTQHCPZLOCR-UHFFFAOYSA-N 0 0 317.385 3.307 20 10 DGCDRN Cc1cc(C(=O)N2Cc3cccc(O)c3C2)c2ccccc2n1 ZINC001152566722 1088003340 /nfs/dbraw/zinc/00/33/40/1088003340.db2.gz ZPZLIJLFMPHPDE-UHFFFAOYSA-N 0 0 304.349 3.405 20 10 DGCDRN Nc1cc(C(F)(F)F)ccc1C(=O)N1Cc2cccc(O)c2C1 ZINC001152574386 1088005615 /nfs/dbraw/zinc/00/56/15/1088005615.db2.gz VFBBIQVXUMPRPV-UHFFFAOYSA-N 0 0 322.286 3.149 20 10 DGCDRN CSc1nc2sccc2c(NCc2ccc(O)c(O)c2)n1 ZINC001158994036 1088123704 /nfs/dbraw/zinc/12/37/04/1088123704.db2.gz CDGGKUCZUABLCS-UHFFFAOYSA-N 0 0 319.411 3.437 20 10 DGCDRN CCCN(CCC)c1cc(NCc2ccc(O)c(O)c2)ncn1 ZINC001158997420 1088125335 /nfs/dbraw/zinc/12/53/35/1088125335.db2.gz HMNYIVBARWCBSY-UHFFFAOYSA-N 0 0 316.405 3.126 20 10 DGCDRN COc1cccc(-c2ccnc(NCc3ccc(O)c(O)c3)n2)c1 ZINC001158997361 1088126729 /nfs/dbraw/zinc/12/67/29/1088126729.db2.gz DPJOCTSGZCHYFS-UHFFFAOYSA-N 0 0 323.352 3.176 20 10 DGCDRN CCN(CC(C)(C)O)C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000176602693 1088161347 /nfs/dbraw/zinc/16/13/47/1088161347.db2.gz KGNIQTNANWPQCT-UHFFFAOYSA-N 0 0 314.429 3.327 20 10 DGCDRN Cc1cccc2ccnc(NCC(=O)c3ccc(O)c(O)c3)c12 ZINC001159280606 1088267649 /nfs/dbraw/zinc/26/76/49/1088267649.db2.gz ZVFWNXBKJDLNKB-UHFFFAOYSA-N 0 0 308.337 3.249 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2cccc3nc(N)ccc32)c(O)c1 ZINC001153813464 1088371846 /nfs/dbraw/zinc/37/18/46/1088371846.db2.gz ZQKLWTWINZKRDB-UHFFFAOYSA-N 0 0 321.380 3.069 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1cccc(Cl)c1Cl ZINC001153879108 1088392565 /nfs/dbraw/zinc/39/25/65/1088392565.db2.gz FHFBJZNBYWEDBC-UHFFFAOYSA-N 0 0 312.152 3.335 20 10 DGCDRN Cc1cc2cccnc2c(C(=O)N2CCc3cccc(O)c3C2)c1 ZINC001154200974 1088508803 /nfs/dbraw/zinc/50/88/03/1088508803.db2.gz WXFWYJHLFMKZGR-UHFFFAOYSA-N 0 0 318.376 3.447 20 10 DGCDRN Oc1c(CNc2ncc(CF)cn2)cc(Cl)c2cccnc12 ZINC001168522065 1088525455 /nfs/dbraw/zinc/52/54/55/1088525455.db2.gz OLZPWHUMQDTPOY-UHFFFAOYSA-N 0 0 318.739 3.465 20 10 DGCDRN Cc1nccc(NCc2cc(Cl)c3cccnc3c2O)n1 ZINC001168522572 1088531958 /nfs/dbraw/zinc/53/19/58/1088531958.db2.gz FWVFLFGABGQSDI-UHFFFAOYSA-N 0 0 300.749 3.304 20 10 DGCDRN COC(=O)c1c(Nc2ccc(N)cc2)ccc2c1OC[C@@H]1C[C@H]21 ZINC001159969833 1088577936 /nfs/dbraw/zinc/57/79/36/1088577936.db2.gz AEWNILLRRWWBOT-HZMBPMFUSA-N 0 0 310.353 3.295 20 10 DGCDRN Cc1ccc[n+]([O-])c1NCc1cc(Cl)c2cccnc2c1O ZINC001168523573 1088588610 /nfs/dbraw/zinc/58/86/10/1088588610.db2.gz PQZLAEGACBWVEN-UHFFFAOYSA-N 0 0 315.760 3.148 20 10 DGCDRN Cc1cnc(NCc2cc(Br)ccc2O)c(C)n1 ZINC001160012051 1088599846 /nfs/dbraw/zinc/59/98/46/1088599846.db2.gz KEHHKUXEQKDLLG-UHFFFAOYSA-N 0 0 308.179 3.174 20 10 DGCDRN Cc1ncnc(NCc2cc(Br)ccc2O)c1C ZINC001160012717 1088602061 /nfs/dbraw/zinc/60/20/61/1088602061.db2.gz SKKQKIIVELJSSJ-UHFFFAOYSA-N 0 0 308.179 3.174 20 10 DGCDRN COCc1ccc(NCc2cc(Br)ccc2O)nc1 ZINC001160019161 1088603999 /nfs/dbraw/zinc/60/39/99/1088603999.db2.gz YYEMDLLCBHSEGR-UHFFFAOYSA-N 0 0 323.190 3.308 20 10 DGCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@H]2C[C@@H]2F)cc1 ZINC001123826319 1088626090 /nfs/dbraw/zinc/62/60/90/1088626090.db2.gz PIDRCQZINHDUOW-STQMWFEESA-N 0 0 318.314 3.002 20 10 DGCDRN CCNc1cccnc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001154669304 1088701907 /nfs/dbraw/zinc/70/19/07/1088701907.db2.gz WNCAFWRLRAWREJ-ZDUSSCGKSA-N 0 0 312.417 3.070 20 10 DGCDRN Cc1c(F)ccc(N)c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001154669286 1088702263 /nfs/dbraw/zinc/70/22/63/1088702263.db2.gz WFJSDJGKOCIJIH-LBPRGKRZSA-N 0 0 315.392 3.273 20 10 DGCDRN CCOC(=O)c1ccc(C)c(N(CC)Cc2ccccc2O)n1 ZINC001154882348 1088806342 /nfs/dbraw/zinc/80/63/42/1088806342.db2.gz UKPVGEYSQHZNKI-UHFFFAOYSA-N 0 0 314.385 3.299 20 10 DGCDRN CCN(Cc1ccccc1O)c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001154888687 1088810509 /nfs/dbraw/zinc/81/05/09/1088810509.db2.gz HRRFZWOBHKOFPR-UHFFFAOYSA-N 0 0 312.329 3.203 20 10 DGCDRN CCN(Cc1ccccc1O)c1c(C)nc(Cl)nc1OC ZINC001154888937 1088810600 /nfs/dbraw/zinc/81/06/00/1088810600.db2.gz LBJOTDICIUFPDW-UHFFFAOYSA-N 0 0 307.781 3.179 20 10 DGCDRN CCN(Cc1ccccc1O)c1ccnc(-c2nccs2)n1 ZINC001154890585 1088812633 /nfs/dbraw/zinc/81/26/33/1088812633.db2.gz CWGJSFDBFOHDAR-UHFFFAOYSA-N 0 0 312.398 3.332 20 10 DGCDRN CCN(Cc1ccccc1O)c1ncnc2cc(OC)ccc21 ZINC001154889312 1088813316 /nfs/dbraw/zinc/81/33/16/1088813316.db2.gz VNJSGLKUTPXZBZ-UHFFFAOYSA-N 0 0 309.369 3.371 20 10 DGCDRN CCN(Cc1ccccc1O)c1ccc(-c2nc(C)no2)cn1 ZINC001154890865 1088814142 /nfs/dbraw/zinc/81/41/42/1088814142.db2.gz SNSYVRKSTPCBSZ-UHFFFAOYSA-N 0 0 310.357 3.172 20 10 DGCDRN CCN(Cc1ccccc1O)c1cc(Cl)ncc1[N+](=O)[O-] ZINC001154890382 1088814875 /nfs/dbraw/zinc/81/48/75/1088814875.db2.gz XWYODGSRFCWJTF-UHFFFAOYSA-N 0 0 307.737 3.375 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2cccc3cc(O)cnc32)c(O)c1 ZINC001155110257 1088950705 /nfs/dbraw/zinc/95/07/05/1088950705.db2.gz QOQZXHDIHFBCIE-UHFFFAOYSA-N 0 0 322.364 3.193 20 10 DGCDRN Cc1cc(C)c(CNC(F)(F)c2cncc(Cl)n2)c(O)c1 ZINC001160810916 1088970602 /nfs/dbraw/zinc/97/06/02/1088970602.db2.gz WESKOCAQKMHHJW-UHFFFAOYSA-N 0 0 313.735 3.292 20 10 DGCDRN CCOc1c(Cl)ncnc1NCc1c(C)cc(C)cc1O ZINC001160810009 1088974017 /nfs/dbraw/zinc/97/40/17/1088974017.db2.gz HPUVEPMJXBLJDF-UHFFFAOYSA-N 0 0 307.781 3.463 20 10 DGCDRN COC(=O)c1cc(F)c(C)nc1NCc1c(C)cc(C)cc1O ZINC001160810656 1088975324 /nfs/dbraw/zinc/97/53/24/1088975324.db2.gz UZVBTNGQNNLMNB-UHFFFAOYSA-N 0 0 318.348 3.250 20 10 DGCDRN Cc1cc(C)c(CNc2cc(-c3ccncc3)ncn2)c(O)c1 ZINC001160811087 1088976642 /nfs/dbraw/zinc/97/66/42/1088976642.db2.gz FICNEASUNJFKAR-UHFFFAOYSA-N 0 0 306.369 3.473 20 10 DGCDRN CCC[C@H](C(=O)c1ccccc1)N(C)C(=O)Cc1ccc(N)cc1 ZINC001161226940 1089158243 /nfs/dbraw/zinc/15/82/43/1089158243.db2.gz NCCJDKQIVQVAPQ-GOSISDBHSA-N 0 0 324.424 3.321 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H](C)C(F)F ZINC001161304415 1089184437 /nfs/dbraw/zinc/18/44/37/1089184437.db2.gz SNNCVVCXWGXOLC-LLVKDONJSA-N 0 0 320.339 3.290 20 10 DGCDRN Oc1cc2c(cc1O)CN(c1ncnc3sccc31)CCC2 ZINC001155933124 1089304067 /nfs/dbraw/zinc/30/40/67/1089304067.db2.gz MBGMGCUBUFYBIJ-UHFFFAOYSA-N 0 0 313.382 3.055 20 10 DGCDRN CSc1cccc(N2CCCc3cc(O)c(O)cc3C2)n1 ZINC001155944367 1089309416 /nfs/dbraw/zinc/30/94/16/1089309416.db2.gz CLKONRRSAJIKPN-UHFFFAOYSA-N 0 0 302.399 3.168 20 10 DGCDRN CCCC(=O)NCCC1=CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001089804908 1089528638 /nfs/dbraw/zinc/52/86/38/1089528638.db2.gz YHBWYAPQRUAZFQ-UHFFFAOYSA-N 0 0 317.389 3.038 20 10 DGCDRN C[C@H](C(=O)NCc1ccc(O)cc1O)c1cn(C)c2ccccc12 ZINC001162277951 1089650489 /nfs/dbraw/zinc/65/04/89/1089650489.db2.gz DZANZLGEWXRZEZ-LBPRGKRZSA-N 0 0 324.380 3.009 20 10 DGCDRN C[C@H](Sc1ccc(F)cc1)C(=O)NCc1c(O)cccc1O ZINC001156886283 1089731151 /nfs/dbraw/zinc/73/11/51/1089731151.db2.gz XMORDAUCHFIXNO-JTQLQIEISA-N 0 0 321.373 3.034 20 10 DGCDRN Cc1cnc(N(C)Cc2ccc(N(C)C)cc2)nc1NC(C)C ZINC001156920866 1089743532 /nfs/dbraw/zinc/74/35/32/1089743532.db2.gz IBOALAJTWLJAKJ-UHFFFAOYSA-N 0 0 313.449 3.308 20 10 DGCDRN COc1cccc2cnc(N(C)Cc3ccc(N(C)C)cc3)nc21 ZINC001156921035 1089743944 /nfs/dbraw/zinc/74/39/44/1089743944.db2.gz PZVOOSLGBBMQFB-UHFFFAOYSA-N 0 0 322.412 3.341 20 10 DGCDRN Oc1cc(O)c(CCNc2cc3ccc(F)cc3cn2)cc1O ZINC001157245285 1089891317 /nfs/dbraw/zinc/89/13/17/1089891317.db2.gz TZTLNIQAAQEWRV-UHFFFAOYSA-N 0 0 314.316 3.145 20 10 DGCDRN CC(C)(C)c1ccc(NCCc2cc(O)c(O)cc2O)nc1 ZINC001157247697 1089891659 /nfs/dbraw/zinc/89/16/59/1089891659.db2.gz XHTHTPTXNCXCFM-UHFFFAOYSA-N 0 0 302.374 3.151 20 10 DGCDRN CCOC(=O)c1c(Cl)cc(C)nc1NCc1ccc(N)cc1 ZINC001162784480 1089954357 /nfs/dbraw/zinc/95/43/57/1089954357.db2.gz OXIMEFRYIJWTGJ-UHFFFAOYSA-N 0 0 319.792 3.414 20 10 DGCDRN Cc1nc2c(nc(Cl)nc2NCc2ccc(N)cc2)s1 ZINC001162785399 1089954459 /nfs/dbraw/zinc/95/44/59/1089954459.db2.gz CIZMMBNGYMXDDG-UHFFFAOYSA-N 0 0 305.794 3.242 20 10 DGCDRN Nc1ccc(CNC(F)(F)c2c3c(nnc2Cl)CCC3)cc1 ZINC001162786901 1089956319 /nfs/dbraw/zinc/95/63/19/1089956319.db2.gz BUACFMFMHNKWBT-UHFFFAOYSA-N 0 0 324.762 3.040 20 10 DGCDRN COCCC1CC[NH+](Cc2ccc(OC)c(Cl)c2[O-])CC1 ZINC001236812624 1089976038 /nfs/dbraw/zinc/97/60/38/1089976038.db2.gz DWUDLEWSKQPSAB-UHFFFAOYSA-N 0 0 313.825 3.303 20 10 DGCDRN Cc1ccc(O)c(CNc2ncnc3cccc([N+](=O)[O-])c32)c1 ZINC001163754171 1090249702 /nfs/dbraw/zinc/24/97/02/1090249702.db2.gz MNXJZGOSCHAWHL-UHFFFAOYSA-N 0 0 310.313 3.164 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)CC[C@H]1O ZINC001237078139 1090283426 /nfs/dbraw/zinc/28/34/26/1090283426.db2.gz OLDVRVQBZXJYPI-BXKDBHETSA-N 0 0 304.217 3.292 20 10 DGCDRN C[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC[C@@]1(C)O ZINC001237618419 1090314416 /nfs/dbraw/zinc/31/44/16/1090314416.db2.gz ZZMBQUXQPCYQQQ-ZUZCIYMTSA-N 0 0 301.789 3.168 20 10 DGCDRN Fc1cc(-c2noc(-c3csnn3)n2)cc(C(F)(F)F)c1 ZINC001212361684 1090574790 /nfs/dbraw/zinc/57/47/90/1090574790.db2.gz ANXYDTXVUPBZJT-UHFFFAOYSA-N 0 0 316.239 3.413 20 10 DGCDRN Cc1nc2cc(-c3noc(-c4csnn4)n3)ccc2s1 ZINC001212362146 1090574824 /nfs/dbraw/zinc/57/48/24/1090574824.db2.gz ORVPYHCIKAKNDT-UHFFFAOYSA-N 0 0 301.356 3.173 20 10 DGCDRN COC(=O)c1cnc(SCC(=O)C2C(C)(C)C2(C)C)s1 ZINC001166234503 1090590994 /nfs/dbraw/zinc/59/09/94/1090590994.db2.gz MOLYQUSBRVFGNL-UHFFFAOYSA-N 0 0 313.444 3.273 20 10 DGCDRN CNc1ccccc1NCCn1nc(C)c(Br)c1C ZINC001166583019 1090623523 /nfs/dbraw/zinc/62/35/23/1090623523.db2.gz YQLBUITXGYAMOJ-UHFFFAOYSA-N 0 0 323.238 3.416 20 10 DGCDRN COc1ccc(Cl)c(-c2noc(-c3nnsc3C)n2)c1 ZINC001212405282 1090626297 /nfs/dbraw/zinc/62/62/97/1090626297.db2.gz LSDUMRUMEIWNRN-UHFFFAOYSA-N 0 0 308.750 3.226 20 10 DGCDRN COc1ccc(N2CCN(Cc3ccc(C)o3)CC2)c(C)c1 ZINC001203300212 1090715853 /nfs/dbraw/zinc/71/58/53/1090715853.db2.gz CIDKOPRHTJFWMF-UHFFFAOYSA-N 0 0 300.402 3.227 20 10 DGCDRN C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](Cc2ccccc2O)C1 ZINC001203550276 1090752796 /nfs/dbraw/zinc/75/27/96/1090752796.db2.gz PJFRYYKYKQIYKM-CQSZACIVSA-N 0 0 320.433 3.081 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CCC2(COC2)CC1 ZINC001203572380 1090758587 /nfs/dbraw/zinc/75/85/87/1090758587.db2.gz XWHPSKAGHKRDOK-UHFFFAOYSA-N 0 0 302.201 3.311 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCCC[C@@](O)(CF)C1 ZINC001203574476 1090759875 /nfs/dbraw/zinc/75/98/75/1090759875.db2.gz XYBSOLKDTWAUTH-CQSZACIVSA-N 0 0 322.207 3.386 20 10 DGCDRN CCOc1cccc(CN2CC[C@H](CF)C(F)(F)C2)c1O ZINC001203602210 1090765738 /nfs/dbraw/zinc/76/57/38/1090765738.db2.gz IRQUCIMATDFENF-GFCCVEGCSA-N 0 0 303.324 3.218 20 10 DGCDRN Cc1ccc(N2CCN(Cc3cc(Cl)ccc3O)CC2)nc1 ZINC001203658504 1090774812 /nfs/dbraw/zinc/77/48/12/1090774812.db2.gz YOXUYAWMVPFDNV-UHFFFAOYSA-N 0 0 317.820 3.071 20 10 DGCDRN COC(=O)c1cccc2c1CN(Cc1cc(Cl)ccc1O)C2 ZINC001203658352 1090774908 /nfs/dbraw/zinc/77/49/08/1090774908.db2.gz RYZNPLPWDDZLAG-UHFFFAOYSA-N 0 0 317.772 3.348 20 10 DGCDRN CSc1ncc2c(n1)CN(Cc1cc(Cl)ccc1O)CC2 ZINC001203664412 1090775670 /nfs/dbraw/zinc/77/56/70/1090775670.db2.gz DULGJBQZIDKTPK-UHFFFAOYSA-N 0 0 321.833 3.116 20 10 DGCDRN Oc1ccc(Cl)cc1CN1CC(Oc2ccc(F)cc2)C1 ZINC001203664295 1090776265 /nfs/dbraw/zinc/77/62/65/1090776265.db2.gz WNPXABFCGDDDCE-UHFFFAOYSA-N 0 0 307.752 3.448 20 10 DGCDRN Cc1ccn2cc(CN(C)Cc3ccc(N(C)C)cc3)nc2c1 ZINC001203936824 1090843854 /nfs/dbraw/zinc/84/38/54/1090843854.db2.gz OTJIXSIESHIASV-UHFFFAOYSA-N 0 0 308.429 3.341 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2cccc(C)n2)C1 ZINC001204067634 1090889969 /nfs/dbraw/zinc/88/99/69/1090889969.db2.gz BOAULFFNCCIILM-UHFFFAOYSA-N 0 0 321.424 3.449 20 10 DGCDRN CN(C)c1ccc(CN2CCC(=O)C(F)(F)C2)c2ccccc21 ZINC001204240586 1090932925 /nfs/dbraw/zinc/93/29/25/1090932925.db2.gz ZNIBLSBBKYYEPI-UHFFFAOYSA-N 0 0 318.367 3.316 20 10 DGCDRN CCCN(CC(=O)OCC)Cc1ccc(N2CCCC2)cc1 ZINC001204328976 1090950860 /nfs/dbraw/zinc/95/08/60/1090950860.db2.gz WIQZJBQWOWVDRF-UHFFFAOYSA-N 0 0 304.434 3.062 20 10 DGCDRN COc1cc(CN(C)Cc2ccc(F)cc2F)cc(O)c1O ZINC001204346753 1090952796 /nfs/dbraw/zinc/95/27/96/1090952796.db2.gz YKOZEVQUYXAQEQ-UHFFFAOYSA-N 0 0 309.312 3.017 20 10 DGCDRN COc1cc(CN(C)Cc2cccc(F)c2F)cc(O)c1O ZINC001204349277 1090953842 /nfs/dbraw/zinc/95/38/42/1090953842.db2.gz RFULYOWZDGZYAS-UHFFFAOYSA-N 0 0 309.312 3.017 20 10 DGCDRN Cc1c(C[N@@H+]2CCc3c(cc[nH]c3=O)C2)c2ccccc2n1C ZINC001138260213 1091127569 /nfs/dbraw/zinc/12/75/69/1091127569.db2.gz ZCLWUBHGESOGPK-UHFFFAOYSA-N 0 0 307.397 3.146 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2noc(Cn3ccnc3)n2)cc1 ZINC001212536415 1091129123 /nfs/dbraw/zinc/12/91/23/1091129123.db2.gz FJSGQGYVHMSXNH-UHFFFAOYSA-N 0 0 319.368 3.389 20 10 DGCDRN Oc1c(C[N@@H+]2CCc3occc3C2)cc2c3c1CCCN3CCC2 ZINC001138341967 1091147501 /nfs/dbraw/zinc/14/75/01/1091147501.db2.gz NGSRVTXRWASKIG-UHFFFAOYSA-N 0 0 324.424 3.242 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CC[C@]3(CCCO3)C2)c(OC)c1 ZINC001138385851 1091161255 /nfs/dbraw/zinc/16/12/55/1091161255.db2.gz AXRPEOYMQLWUEC-LJQANCHMSA-N 0 0 318.461 3.296 20 10 DGCDRN CCN(CC)c1ccc(CN2CCCC(=O)[C@@H](C)C2)c(OC)c1 ZINC001138386864 1091163660 /nfs/dbraw/zinc/16/36/60/1091163660.db2.gz YKNAWPGRTGUIGR-HNNXBMFYSA-N 0 0 318.461 3.342 20 10 DGCDRN COC(=O)c1cc(CN2CCCc3cc(OC)ccc32)[nH]c1C ZINC001205327365 1091187236 /nfs/dbraw/zinc/18/72/36/1091187236.db2.gz HDBKAFVXCJPLBE-UHFFFAOYSA-N 0 0 314.385 3.071 20 10 DGCDRN CCCc1noc([C@H]2CCC[N@H+](Cc3c([O-])cccc3F)C2)n1 ZINC001137838457 1091214105 /nfs/dbraw/zinc/21/41/05/1091214105.db2.gz AJKDYEPRGLWRGJ-LBPRGKRZSA-N 0 0 319.380 3.246 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ncc2ccccn21 ZINC001294681581 1091428781 /nfs/dbraw/zinc/42/87/81/1091428781.db2.gz QIIMZILZHPNOOW-UHFFFAOYSA-N 0 0 309.369 3.092 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CC[C@](C)(F)[C@@H](F)C1 ZINC001139126578 1091456823 /nfs/dbraw/zinc/45/68/23/1091456823.db2.gz LGUQNNQHFJTSOQ-YOEHRIQHSA-N 0 0 323.339 3.079 20 10 DGCDRN CCOc1ccc(NC(=O)N2CCc3cccc(O)c3C2)cc1 ZINC001202905448 1091478556 /nfs/dbraw/zinc/47/85/56/1091478556.db2.gz IOZJNTXWNLSRTI-UHFFFAOYSA-N 0 0 312.369 3.381 20 10 DGCDRN Cc1ccc(NC(=O)C[NH2+]Cc2cccc(F)c2[O-])c(Cl)c1 ZINC001206365708 1091602023 /nfs/dbraw/zinc/60/20/23/1091602023.db2.gz FOFOMCRXGROYHD-UHFFFAOYSA-N 0 0 322.767 3.221 20 10 DGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001139685508 1091641640 /nfs/dbraw/zinc/64/16/40/1091641640.db2.gz LXFHFQNNWUWFFO-LBPRGKRZSA-N 0 0 313.241 3.394 20 10 DGCDRN Cc1cnccc1O[C@H]1CC[N@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139689766 1091642647 /nfs/dbraw/zinc/64/26/47/1091642647.db2.gz LXYGNSJWYTWGCX-LBPRGKRZSA-N 0 0 320.339 3.027 20 10 DGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001139686867 1091643215 /nfs/dbraw/zinc/64/32/15/1091643215.db2.gz HGVPHTKIDNLEMT-MRXNPFEDSA-N 0 0 311.372 3.452 20 10 DGCDRN Oc1cccc2c1CN(Cc1ccc(Br)cn1)CC2 ZINC001206540853 1091662333 /nfs/dbraw/zinc/66/23/33/1091662333.db2.gz PRZIONURGMBMKD-UHFFFAOYSA-N 0 0 319.202 3.108 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2cc(C)on2)C1 ZINC001206819313 1091752507 /nfs/dbraw/zinc/75/25/07/1091752507.db2.gz DGWAZUJFGPONDF-UHFFFAOYSA-N 0 0 311.385 3.042 20 10 DGCDRN Oc1cccc(Br)c1CN1CC2(C1)CC(F)(F)C2 ZINC001140098578 1091767242 /nfs/dbraw/zinc/76/72/42/1091767242.db2.gz FXSYPYSKDKYECL-UHFFFAOYSA-N 0 0 318.161 3.386 20 10 DGCDRN Oc1cccc(Br)c1CN1CCc2ccncc2C1 ZINC001140101441 1091769010 /nfs/dbraw/zinc/76/90/10/1091769010.db2.gz RSNGHTHUQKWNAL-UHFFFAOYSA-N 0 0 319.202 3.108 20 10 DGCDRN C[C@H](NC(=O)C(C)(C)c1ccccn1)c1ccc(N(C)C)cc1 ZINC001296647798 1091775881 /nfs/dbraw/zinc/77/58/81/1091775881.db2.gz CYFXHNMFPJPYQI-AWEZNQCLSA-N 0 0 311.429 3.303 20 10 DGCDRN CCOC(=O)c1coc2c1CN(Cc1c(C)ccc(C)c1O)C2 ZINC001140184559 1091795069 /nfs/dbraw/zinc/79/50/69/1091795069.db2.gz ZLRKOCDCVOVAQM-UHFFFAOYSA-N 0 0 315.369 3.295 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1cc(C)cc(C)c1 ZINC001140198521 1091797792 /nfs/dbraw/zinc/79/77/92/1091797792.db2.gz HFQVJVALJVFRGV-UHFFFAOYSA-N 0 0 318.413 3.354 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1ccc(C)c(C)c1 ZINC001140198786 1091798166 /nfs/dbraw/zinc/79/81/66/1091798166.db2.gz SICJACZCVOFWES-UHFFFAOYSA-N 0 0 318.413 3.354 20 10 DGCDRN COc1ccc([C@H]([NH2+]Cc2cc(F)c(F)cc2[O-])C2CC2)cn1 ZINC001207025318 1091823173 /nfs/dbraw/zinc/82/31/73/1091823173.db2.gz DBDGGJDNCBQABL-QGZVFWFLSA-N 0 0 320.339 3.315 20 10 DGCDRN CCOC(=O)CN(Cc1ccsc1)Cc1cc(C)ccc1O ZINC001140623145 1091934065 /nfs/dbraw/zinc/93/40/65/1091934065.db2.gz LXHVUQVSTSKZSU-UHFFFAOYSA-N 0 0 319.426 3.327 20 10 DGCDRN CCOCc1cnc2n1CCN(Cc1cc(C)ccc1O)[C@H]2C ZINC001140621676 1091935158 /nfs/dbraw/zinc/93/51/58/1091935158.db2.gz OWSZMOBTLAPTBS-AWEZNQCLSA-N 0 0 315.417 3.010 20 10 DGCDRN Cc1nc2c(cccc2CC[NH2+]Cc2cc(F)c(F)cc2[O-])o1 ZINC001207477130 1091980479 /nfs/dbraw/zinc/98/04/79/1091980479.db2.gz XPJHLQNIDMGBTP-UHFFFAOYSA-N 0 0 318.323 3.452 20 10 DGCDRN Cc1c(O)ccc(CN2Cc3cnn(-c4ccccc4)c3C2)c1O ZINC001140747740 1091985903 /nfs/dbraw/zinc/98/59/03/1091985903.db2.gz KKYCWVXRRGFRNB-UHFFFAOYSA-N 0 0 321.380 3.108 20 10 DGCDRN Cc1ncc(CN(C)Cc2ccc(N(C)C)cc2Cl)cn1 ZINC001140924349 1092065313 /nfs/dbraw/zinc/06/53/13/1092065313.db2.gz GDJZGSNJMVSOAH-UHFFFAOYSA-N 0 0 304.825 3.136 20 10 DGCDRN COc1ccc(-n2c(C)cc(C(=O)NOC(C)C)c2C)cc1 ZINC001298555983 1092072114 /nfs/dbraw/zinc/07/21/14/1092072114.db2.gz STGWYKUJSYOFQX-UHFFFAOYSA-N 0 0 302.374 3.173 20 10 DGCDRN CCOCc1cnc2n1CCN(Cc1ccc(C)cc1O)[C@@H]2C ZINC001140952228 1092077546 /nfs/dbraw/zinc/07/75/46/1092077546.db2.gz JEBISFIJANSBDQ-CQSZACIVSA-N 0 0 315.417 3.010 20 10 DGCDRN FC1(C2CC2)CN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141074648 1092130111 /nfs/dbraw/zinc/13/01/11/1092130111.db2.gz PRDLEIKGSRIXBT-UHFFFAOYSA-N 0 0 300.421 3.319 20 10 DGCDRN Oc1ccc(O)c(CN2Cc3ccc(Br)cc3C2)c1 ZINC001141156673 1092156364 /nfs/dbraw/zinc/15/63/64/1092156364.db2.gz QEIGYPMOSGDQMJ-UHFFFAOYSA-N 0 0 320.186 3.376 20 10 DGCDRN Oc1ccc(O)c(CN2CCOC[C@@H]2c2ccc(Cl)cc2)c1 ZINC001141162106 1092157682 /nfs/dbraw/zinc/15/76/82/1092157682.db2.gz LKLUZYXBNBAAHI-MRXNPFEDSA-N 0 0 319.788 3.325 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)O[C@@H](C)COC)cc1 ZINC001208253500 1092291722 /nfs/dbraw/zinc/29/17/22/1092291722.db2.gz CSFZVPNZKAOGIG-AWEZNQCLSA-N 0 0 308.422 3.136 20 10 DGCDRN CC[N@@H+](Cc1ccccc1O)C[C@H]1CC[C@H](C(=O)OC)CC1 ZINC001208631778 1092436863 /nfs/dbraw/zinc/43/68/63/1092436863.db2.gz CKPPRARREJUHTK-SHTZXODSSA-N 0 0 305.418 3.194 20 10 DGCDRN C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@H]1CCC[C@@H](C)C1 ZINC001142302195 1092464132 /nfs/dbraw/zinc/46/41/32/1092464132.db2.gz SAVWIXSXXFKIHG-FWJCNIIASA-N 0 0 303.402 3.442 20 10 DGCDRN CSc1ncc(CN(C)Cc2ccccc2O)c(Cl)n1 ZINC001142431587 1092481395 /nfs/dbraw/zinc/48/13/95/1092481395.db2.gz HJAKDAPACVEIGR-UHFFFAOYSA-N 0 0 309.822 3.190 20 10 DGCDRN O=C(C1CCN(Cc2cc(F)c(F)cc2O)CC1)C(F)(F)F ZINC001142524698 1092493387 /nfs/dbraw/zinc/49/33/87/1092493387.db2.gz HKURBTJUJKBAJT-UHFFFAOYSA-N 0 0 323.261 3.014 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2cccc3c2OCC3)cc1 ZINC001300865193 1092526321 /nfs/dbraw/zinc/52/63/21/1092526321.db2.gz DHXPWCMYIPHAPM-UHFFFAOYSA-N 0 0 310.313 3.036 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2ccc3c(ccn3C)c2)c(O)c1 ZINC001149231603 1092671819 /nfs/dbraw/zinc/67/18/19/1092671819.db2.gz RIYKOLKCVOTUTM-UHFFFAOYSA-N 0 0 308.381 3.431 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cccc2[nH]cnc21 ZINC001150377489 1092775424 /nfs/dbraw/zinc/77/54/24/1092775424.db2.gz IZVHHHJEPWBZDW-UHFFFAOYSA-N 0 0 321.380 3.077 20 10 DGCDRN CN(C)C(=O)Oc1cccc(Nc2ccc3c(c2)OCCN3)c1 ZINC001209789145 1092923598 /nfs/dbraw/zinc/92/35/98/1092923598.db2.gz LQBZYDSJEGWPIG-UHFFFAOYSA-N 0 0 313.357 3.295 20 10 DGCDRN CN(C1=CCC(C)(C)CC1)S(=O)(=O)Cc1ccc(N)cc1 ZINC001210165188 1093065301 /nfs/dbraw/zinc/06/53/01/1093065301.db2.gz AHQAMELVSRADLL-UHFFFAOYSA-N 0 0 308.447 3.124 20 10 DGCDRN COc1ccc(C(=O)c2ccccc2Nc2ccn(C)n2)cc1 ZINC001210354341 1093134826 /nfs/dbraw/zinc/13/48/26/1093134826.db2.gz CASKPNJAIWETAC-UHFFFAOYSA-N 0 0 307.353 3.403 20 10 DGCDRN CS(=O)(=O)N(c1cc2cc(F)ccc2o1)c1ccc(N)cc1 ZINC001210727962 1093261536 /nfs/dbraw/zinc/26/15/36/1093261536.db2.gz BKNVRGLVQGTMNI-UHFFFAOYSA-N 0 0 320.345 3.252 20 10 DGCDRN Nc1ccc(OCCOc2ccc(Nc3ccncn3)cc2)cc1 ZINC001211028919 1093357283 /nfs/dbraw/zinc/35/72/83/1093357283.db2.gz WBZDAFTZCGGQCQ-UHFFFAOYSA-N 0 0 322.368 3.260 20 10 DGCDRN NC(=O)C1CN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC001214145903 1093720869 /nfs/dbraw/zinc/72/08/69/1093720869.db2.gz SHRGSUWMMOGHSB-UHFFFAOYSA-N 0 0 323.356 3.051 20 10 DGCDRN CCOC(=O)c1ccc(N(C)c2ccc(N)cc2)c(OC)c1 ZINC001214545923 1093795808 /nfs/dbraw/zinc/79/58/08/1093795808.db2.gz FRJSFGARKDQINY-UHFFFAOYSA-N 0 0 300.358 3.222 20 10 DGCDRN Oc1cccc(-c2nc(-c3cccc(OC4CC4)c3)no2)c1O ZINC001215145874 1093927049 /nfs/dbraw/zinc/92/70/49/1093927049.db2.gz OGNVXILDYWDGPX-UHFFFAOYSA-N 0 0 310.309 3.356 20 10 DGCDRN Oc1cccc(-c2nc(-c3ccccc3-c3cnco3)no2)c1O ZINC001215145801 1093927220 /nfs/dbraw/zinc/92/72/20/1093927220.db2.gz JZZJIPXOYZAVLA-UHFFFAOYSA-N 0 0 321.292 3.470 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc(C)c3c[nH]nc32)c1 ZINC001215182585 1093934389 /nfs/dbraw/zinc/93/43/89/1093934389.db2.gz PMLDZGSEXAWXKM-UHFFFAOYSA-N 0 0 310.357 3.207 20 10 DGCDRN Cc1cc(-c2noc(-c3ccc(O)c(O)c3)n2)c(F)cc1F ZINC001215304340 1093956073 /nfs/dbraw/zinc/95/60/73/1093956073.db2.gz LABFAQGOKJBMQQ-UHFFFAOYSA-N 0 0 304.252 3.401 20 10 DGCDRN Oc1ccc(-c2nc(-c3cc(F)ccc3Cl)no2)c(O)c1O ZINC001215325489 1093960328 /nfs/dbraw/zinc/96/03/28/1093960328.db2.gz WLPXAIVGYIVKDC-UHFFFAOYSA-N 0 0 322.679 3.313 20 10 DGCDRN Oc1ccc(-c2nc(-c3ccc4occc4c3)no2)c(O)c1O ZINC001215325350 1093960400 /nfs/dbraw/zinc/96/04/00/1093960400.db2.gz NVIVSBBEKKIQCU-UHFFFAOYSA-N 0 0 310.265 3.267 20 10 DGCDRN Oc1ccc(-c2nc(-c3ccc4cnccc4c3)no2)c(O)c1O ZINC001215325116 1093960530 /nfs/dbraw/zinc/96/05/30/1093960530.db2.gz BLIIABAEYOPETN-UHFFFAOYSA-N 0 0 321.292 3.069 20 10 DGCDRN Cc1cc(-c2noc(-c3ccc(O)c(O)c3O)n2)cc(C)c1F ZINC001215325222 1093961031 /nfs/dbraw/zinc/96/10/31/1093961031.db2.gz HJNUTSWZFJDEAB-UHFFFAOYSA-N 0 0 316.288 3.276 20 10 DGCDRN Oc1cc(-c2nc(-c3ccc(Cl)cc3)no2)cc(O)c1O ZINC001215327749 1093961516 /nfs/dbraw/zinc/96/15/16/1093961516.db2.gz QVODVIOBXURDLX-UHFFFAOYSA-N 0 0 304.689 3.174 20 10 DGCDRN Cc1ccc(F)c(Nc2ccnc(-c3cc(N)ccn3)c2)c1O ZINC001215738285 1094044593 /nfs/dbraw/zinc/04/45/93/1094044593.db2.gz VFACODOZJYNIGE-UHFFFAOYSA-N 0 0 310.332 3.044 20 10 DGCDRN Cc1nc(OCC(C)C)ccc1N(CCO)c1ccc(N)cc1 ZINC001215945797 1094092554 /nfs/dbraw/zinc/09/25/54/1094092554.db2.gz FDRWAIJKCLSBLL-UHFFFAOYSA-N 0 0 315.417 3.137 20 10 DGCDRN CCOc1ccc(C)c(N(c2ccc(N)cc2)S(C)(=O)=O)c1 ZINC001216237484 1094156081 /nfs/dbraw/zinc/15/60/81/1094156081.db2.gz QKMHYVXPBKKRDU-UHFFFAOYSA-N 0 0 320.414 3.074 20 10 DGCDRN CCS[C@@H]1CC[C@@H](N(C)C(=O)NCc2ccc(N)cc2)C1 ZINC001120676852 1094487951 /nfs/dbraw/zinc/48/79/51/1094487951.db2.gz DXQMYLICLMUBKX-HUUCEWRRSA-N 0 0 307.463 3.084 20 10 DGCDRN CN(C)c1ccc(/N=N/c2ccc(O[C@H]3CNC(=O)C3)cc2)cc1 ZINC001218339194 1094727787 /nfs/dbraw/zinc/72/77/87/1094727787.db2.gz QDIMDUMJDKKPAN-SGRLSNSRSA-N 0 0 324.384 3.435 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2C[C@@H](C)O[C@H]2C)cc1 ZINC001135946115 1094762500 /nfs/dbraw/zinc/76/25/00/1094762500.db2.gz GJSPYKMHGBXHIZ-RVKKMQEKSA-N 0 0 318.461 3.305 20 10 DGCDRN Nc1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2F)cc1 ZINC001336926067 1094785176 /nfs/dbraw/zinc/78/51/76/1094785176.db2.gz OWQMJBBKUAAUDK-IRXDYDNUSA-N 0 0 313.376 3.094 20 10 DGCDRN C[C@H](Cc1cccc(F)c1)N(C)C(=O)NCc1ccc(N)cc1 ZINC001337069963 1094841675 /nfs/dbraw/zinc/84/16/75/1094841675.db2.gz DPZWFPMIUKZBHP-CYBMUJFWSA-N 0 0 315.392 3.181 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC2CCC2)c1 ZINC001136156540 1094914866 /nfs/dbraw/zinc/91/48/66/1094914866.db2.gz BKIAYDJGWPIYCB-UHFFFAOYSA-N 0 0 310.397 3.437 20 10 DGCDRN COCOc1ccc(NC(=O)NCc2cc(C)ccc2O)cc1 ZINC001219190058 1094948401 /nfs/dbraw/zinc/94/84/01/1094948401.db2.gz YALJEBBPUTZFJR-UHFFFAOYSA-N 0 0 316.357 3.005 20 10 DGCDRN COc1ccc(CNC(=O)Nc2ccc3occc3c2)c(O)c1 ZINC001219807022 1095021170 /nfs/dbraw/zinc/02/11/70/1095021170.db2.gz DTWLEDTYAXQZKP-UHFFFAOYSA-N 0 0 312.325 3.469 20 10 DGCDRN CN(c1ccc(CNC(=O)C2CSC2)cc1)C1CCCCC1 ZINC001136446889 1095041304 /nfs/dbraw/zinc/04/13/04/1095041304.db2.gz YLHFDNYWHSMZIP-UHFFFAOYSA-N 0 0 318.486 3.435 20 10 DGCDRN CCCCn1nccc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001136475576 1095049497 /nfs/dbraw/zinc/04/94/97/1095049497.db2.gz KRVFPVHXVCBUPL-UHFFFAOYSA-N 0 0 314.349 3.098 20 10 DGCDRN C[C@H]([NH2+]Cc1cccc(Br)c1[O-])c1cscn1 ZINC000697936653 1095053190 /nfs/dbraw/zinc/05/31/90/1095053190.db2.gz SWGXECUOKXCIPB-QMMMGPOBSA-N 0 0 313.220 3.462 20 10 DGCDRN CCS[C@@H](C)c1noc(CN(C)Cc2ccc(N)cc2)n1 ZINC001337838521 1095112283 /nfs/dbraw/zinc/11/22/83/1095112283.db2.gz OLJPOSTZVXARSN-NSHDSACASA-N 0 0 306.435 3.098 20 10 DGCDRN CCO[C@@H](C(=O)NCc1ccc(N(CC)CC)c(F)c1)C(C)C ZINC001136730502 1095139356 /nfs/dbraw/zinc/13/93/56/1095139356.db2.gz RTIRAOOTFBIWQR-QGZVFWFLSA-N 0 0 324.440 3.349 20 10 DGCDRN CCNC(=O)c1cccc(N[C@@H](C)c2ccc(F)cc2O)c1 ZINC000316279430 1095167247 /nfs/dbraw/zinc/16/72/47/1095167247.db2.gz SEWJMVQGOFFPJT-NSHDSACASA-N 0 0 302.349 3.454 20 10 DGCDRN C[C@H](Nc1cccc(C(=O)N(C)C)c1)c1ccc(F)cc1O ZINC000316290106 1095167799 /nfs/dbraw/zinc/16/77/99/1095167799.db2.gz UGDPVLVPSUZSED-NSHDSACASA-N 0 0 302.349 3.406 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1[C@@H](C)[C@H]1OCC ZINC001626159942 1095198845 /nfs/dbraw/zinc/19/88/45/1095198845.db2.gz DBWJOTPNSMGGSQ-KBRIMQKVSA-N 0 0 305.418 3.192 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](CF)C2)cc1 ZINC001221229769 1095217571 /nfs/dbraw/zinc/21/75/71/1095217571.db2.gz OMYGNIJGZQCLQU-MRXNPFEDSA-N 0 0 321.440 3.424 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N(CC1CC1)C1CCCCC1 ZINC001143695867 1095345279 /nfs/dbraw/zinc/34/52/79/1095345279.db2.gz AAMFOLREPRZFOO-UHFFFAOYSA-N 0 0 303.402 3.212 20 10 DGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@H]1COCc1ccccc1 ZINC001139684060 1095346031 /nfs/dbraw/zinc/34/60/31/1095346031.db2.gz PZSRCFMJCOYJRL-AWEZNQCLSA-N 0 0 319.351 3.462 20 10 DGCDRN C[C@H](NC(=O)NC[C@H]1OCc2ccccc21)c1ccccc1O ZINC001123734064 1095415661 /nfs/dbraw/zinc/41/56/61/1095415661.db2.gz OBJODBFWIXSVES-YVEFUNNKSA-N 0 0 312.369 3.024 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2nc(C3CC3)cs2)c1 ZINC001123768562 1095427315 /nfs/dbraw/zinc/42/73/15/1095427315.db2.gz BLMBTUSRTJBYSW-VIFPVBQESA-N 0 0 318.398 3.226 20 10 DGCDRN CS[C@@H]1CC[C@@H]([N@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC001116211569 1095485463 /nfs/dbraw/zinc/48/54/63/1095485463.db2.gz JQLOPLNBDYCZRJ-ZIAGYGMSSA-N 0 0 311.422 3.450 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)OC2CCCCC2)c1 ZINC001339096022 1095495068 /nfs/dbraw/zinc/49/50/68/1095495068.db2.gz XFILQBFMDWOOBT-CHWSQXEVSA-N 0 0 321.417 3.316 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1CN1CCC2(CCCC[NH2+]2)CC1 ZINC001222297566 1095536951 /nfs/dbraw/zinc/53/69/51/1095536951.db2.gz HUPJJRYAQZKABW-UHFFFAOYSA-N 0 0 312.816 3.293 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N=c2sccn2C)cc1 ZINC001124207839 1095559830 /nfs/dbraw/zinc/55/98/30/1095559830.db2.gz AMCWBVNFNNNHPL-UHFFFAOYSA-N 0 0 311.410 3.235 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cc3ccncc3s2)cc1 ZINC001124480189 1095598800 /nfs/dbraw/zinc/59/88/00/1095598800.db2.gz LHXHECZVXXHHAP-UHFFFAOYSA-N 0 0 311.410 3.292 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1nccs1 ZINC001124623783 1095609717 /nfs/dbraw/zinc/60/97/17/1095609717.db2.gz WVKKDJSGZODKKP-UHFFFAOYSA-N 0 0 301.415 3.016 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)[C@H](C)CC(C)C)CC2)cc1 ZINC001116604021 1095613289 /nfs/dbraw/zinc/61/32/89/1095613289.db2.gz LPVLXBBHTQLXNO-MRXNPFEDSA-N 0 0 318.461 3.416 20 10 DGCDRN C[C@@H]1CN(c2nnc(C3SC=CC3=O)n2C)[C@@H]2CCCC[C@@H]21 ZINC001339458682 1095630244 /nfs/dbraw/zinc/63/02/44/1095630244.db2.gz RTTCCOUBFYMROZ-IJLUTSLNSA-N 0 0 318.446 3.264 20 10 DGCDRN CCO[C@@H](CC)c1nnc(N(C)Cc2ccccc2O)n1CC ZINC001339570922 1095660964 /nfs/dbraw/zinc/66/09/64/1095660964.db2.gz ZTRXMYRYFQTOQE-HNNXBMFYSA-N 0 0 318.421 3.128 20 10 DGCDRN Oc1cc(F)c(CN2CCCc3cc(O)c(O)cc3C2)c(F)c1 ZINC001144561706 1095712059 /nfs/dbraw/zinc/71/20/59/1095712059.db2.gz MJGWHLQAFYEXSM-UHFFFAOYSA-N 0 0 321.323 3.030 20 10 DGCDRN Cc1ccsc1CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001137839471 1095758853 /nfs/dbraw/zinc/75/88/53/1095758853.db2.gz GJMUOKMTRLKVOR-UHFFFAOYSA-N 0 0 316.386 3.191 20 10 DGCDRN Cc1cccnc1O[C@H]1CCC[N@H+](Cc2c([O-])cccc2F)C1 ZINC001137841753 1095760698 /nfs/dbraw/zinc/76/06/98/1095760698.db2.gz SXSSBCWUVOBZFI-AWEZNQCLSA-N 0 0 316.376 3.278 20 10 DGCDRN Cc1cc(CN2CCn3c(C)nnc3C2)c(C)n1-c1ccccc1 ZINC001137857987 1095770222 /nfs/dbraw/zinc/77/02/22/1095770222.db2.gz RNKSAQKFZQVIAB-UHFFFAOYSA-N 0 0 321.428 3.010 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cccc2c1CCN2 ZINC001340016217 1095815472 /nfs/dbraw/zinc/81/54/72/1095815472.db2.gz DBFLDFBPFCURNW-UHFFFAOYSA-N 0 0 310.397 3.413 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H](C)CCCO)cc1 ZINC001117810374 1095877135 /nfs/dbraw/zinc/87/71/35/1095877135.db2.gz CWFXTZGJUZWUGO-AWEZNQCLSA-N 0 0 314.429 3.233 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCC[C@H]2CC=CCC2)cc1 ZINC001223196262 1095899462 /nfs/dbraw/zinc/89/94/62/1095899462.db2.gz DJSKKHJESWBUTP-HNNXBMFYSA-N 0 0 301.434 3.298 20 10 DGCDRN Cc1ccccc1O[C@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001138127639 1095900204 /nfs/dbraw/zinc/90/02/04/1095900204.db2.gz JLKXICHSVHSPMD-HNNXBMFYSA-N 0 0 301.361 3.493 20 10 DGCDRN Cc1cccnc1O[C@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001138131372 1095900634 /nfs/dbraw/zinc/90/06/34/1095900634.db2.gz YEQRIPPTSIJGQS-HNNXBMFYSA-N 0 0 316.376 3.278 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001340779121 1096031294 /nfs/dbraw/zinc/03/12/94/1096031294.db2.gz MPMWNUFRKWHJND-QWRGUYRKSA-N 0 0 306.435 3.214 20 10 DGCDRN CO[C@H](C(=O)Nc1c2nonc2ccc1Cl)C1CCCC1 ZINC001118784350 1096073633 /nfs/dbraw/zinc/07/36/33/1096073633.db2.gz RAFJOGZLXSJOOV-ZDUSSCGKSA-N 0 0 309.753 3.020 20 10 DGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(=O)[nH]c2)cc1 ZINC001147150883 1096174272 /nfs/dbraw/zinc/17/42/72/1096174272.db2.gz HFQKTQRPLURPIY-UHFFFAOYSA-N 0 0 319.364 3.216 20 10 DGCDRN C[C@@H](NC(=O)NC[C@H]1CCC2(CCC2)CO1)c1ccccc1O ZINC001119444765 1096202678 /nfs/dbraw/zinc/20/26/78/1096202678.db2.gz GSZRCQDUUXAHKX-ZIAGYGMSSA-N 0 0 318.417 3.102 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2nc(Cl)ccc2Cl)c1 ZINC001147956408 1096297331 /nfs/dbraw/zinc/29/73/31/1096297331.db2.gz DDWSVWYRIOWUFV-UHFFFAOYSA-N 0 0 311.168 3.332 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCC[C@@H]1c1ccc(F)cc1F ZINC001148218788 1096328166 /nfs/dbraw/zinc/32/81/66/1096328166.db2.gz LFZLKNYPLWOYJL-CQSZACIVSA-N 0 0 319.307 3.353 20 10 DGCDRN Cc1ccc(OC(C)C)cc1NC(=O)c1cc(O)c(O)c(O)c1 ZINC001148586313 1096407034 /nfs/dbraw/zinc/40/70/34/1096407034.db2.gz KOLTTZSMSFRMMZ-UHFFFAOYSA-N 0 0 317.341 3.151 20 10 DGCDRN CC(C)(C)c1ccc(O)c(NC(=O)c2cc(O)c(O)c(O)c2)c1 ZINC001148585846 1096407747 /nfs/dbraw/zinc/40/77/47/1096407747.db2.gz AOFZCUBZHWJBGA-UHFFFAOYSA-N 0 0 317.341 3.059 20 10 DGCDRN Oc1cc2ccccc2cc1CNc1cc2nccnc2cn1 ZINC001171400299 1096666224 /nfs/dbraw/zinc/66/62/24/1096666224.db2.gz SDTVCKFAPMDECU-UHFFFAOYSA-N 0 0 302.337 3.496 20 10 DGCDRN C[C@H](Oc1c(O)c(O)c(O)c(O)c1O)c1cccc(Cl)c1 ZINC001226468580 1096696677 /nfs/dbraw/zinc/69/66/77/1096696677.db2.gz OTSDLPXBDVSEFO-LURJTMIESA-N 0 0 312.705 3.008 20 10 DGCDRN CC(C)[C@](C)(Cc1ccccc1)NC(=O)c1cccc(O)c1O ZINC001171557305 1096922705 /nfs/dbraw/zinc/92/27/05/1096922705.db2.gz OZNVRNAUNLFAKK-IBGZPJMESA-N 0 0 313.397 3.485 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)c2ccccc2O)ccc1[N+](=O)[O-] ZINC001171730618 1096956528 /nfs/dbraw/zinc/95/65/28/1096956528.db2.gz QSOPVKAWMAVZBM-NSHDSACASA-N 0 0 300.314 3.100 20 10 DGCDRN CC(=O)N1CCN(c2ccc(OC3CCC(C)CC3)cc2)CC1 ZINC001228201371 1097072459 /nfs/dbraw/zinc/07/24/59/1097072459.db2.gz MSJHNAFKOGZEOX-UHFFFAOYSA-N 0 0 316.445 3.313 20 10 DGCDRN CC(=O)N1CCN(c2ccc(O[C@H]3CCC[C@H](C)C3)cc2)CC1 ZINC001228202955 1097072959 /nfs/dbraw/zinc/07/29/59/1097072959.db2.gz XRHRPUMVAYSERL-KXBFYZLASA-N 0 0 316.445 3.313 20 10 DGCDRN C[C@@H](Oc1cc(O)c(O)c2c1C(=O)c1ccccc1C2=O)C1CC1 ZINC001229197295 1097275813 /nfs/dbraw/zinc/27/58/13/1097275813.db2.gz NJSDJVCCNCPSKC-SECBINFHSA-N 0 0 324.332 3.051 20 10 DGCDRN Nc1cccc2c1C(=O)c1cccc(Nc3cccnc3)c1C2=O ZINC001173857079 1097520909 /nfs/dbraw/zinc/52/09/09/1097520909.db2.gz NZIWSLFGGYZKCV-UHFFFAOYSA-N 0 0 315.332 3.183 20 10 DGCDRN Cc1ccc2c(c1Nc1cn[nH]c1)C(=O)c1ccccc1C2=O ZINC001174296130 1097659085 /nfs/dbraw/zinc/65/90/85/1097659085.db2.gz MJZBFOUPCPDWHK-UHFFFAOYSA-N 0 0 303.321 3.237 20 10 DGCDRN Cn1cc(Nc2ccc(Cl)cc2C(=O)c2ccccn2)cn1 ZINC001174332605 1097679331 /nfs/dbraw/zinc/67/93/31/1097679331.db2.gz NXGQUXBYWNTJJG-UHFFFAOYSA-N 0 0 312.760 3.443 20 10 DGCDRN Cc1c(Nc2cccc3c2C(=O)c2ccccc2C3=O)cnn1C ZINC001174390075 1097706389 /nfs/dbraw/zinc/70/63/89/1097706389.db2.gz KNVBYKMVKUMMRY-UHFFFAOYSA-N 0 0 317.348 3.248 20 10 DGCDRN CCO[C@@H](C)COc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001231266150 1097708191 /nfs/dbraw/zinc/70/81/91/1097708191.db2.gz OIGUORJJAFXQTJ-LBPRGKRZSA-N 0 0 310.349 3.266 20 10 DGCDRN O=C([O-])c1ccc(O)c(C[N@@H+]2CCC[C@H](c3ccccc3)C2)c1 ZINC001231563079 1097778998 /nfs/dbraw/zinc/77/89/98/1097778998.db2.gz DTLHQSKLFYOCRH-INIZCTEOSA-N 0 0 311.381 3.470 20 10 DGCDRN COC(=O)C[C@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001231591214 1097786861 /nfs/dbraw/zinc/78/68/61/1097786861.db2.gz YSDZEZZTICJSJK-CQSZACIVSA-N 0 0 313.397 3.321 20 10 DGCDRN CS(=O)(=O)N(c1ccc(N)cc1)c1ccc(C(F)F)cc1 ZINC001174715511 1097818082 /nfs/dbraw/zinc/81/80/82/1097818082.db2.gz DJBODTIADJAANS-UHFFFAOYSA-N 0 0 312.341 3.304 20 10 DGCDRN Cc1cc(CN2C[C@@H](C)O[C@@](C)(C(F)F)C2)ccc1N(C)C ZINC001174723526 1097819857 /nfs/dbraw/zinc/81/98/57/1097819857.db2.gz CLXUGLLFUMVKGF-CXAGYDPISA-N 0 0 312.404 3.306 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)Cc1cc(F)cnc1OC ZINC001231742899 1097829301 /nfs/dbraw/zinc/82/93/01/1097829301.db2.gz WDZNSNVAJJUYDK-UHFFFAOYSA-N 0 0 317.408 3.317 20 10 DGCDRN O=C1c2ccccc2[C@@H]2C[N@H+](Cc3cccc(Cl)c3[O-])C[C@H]12 ZINC001231909407 1097887605 /nfs/dbraw/zinc/88/76/05/1097887605.db2.gz CKCPZHCFPJQDAY-GJZGRUSLSA-N 0 0 313.784 3.458 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@H+]1CCCC[C@](O)(C(F)(F)F)C1 ZINC001231909726 1097889119 /nfs/dbraw/zinc/88/91/19/1097889119.db2.gz ICOHDKXCNNHIME-CYBMUJFWSA-N 0 0 323.742 3.325 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001231913484 1097889660 /nfs/dbraw/zinc/88/96/60/1097889660.db2.gz KJBWNMMNCTWXRD-HNNXBMFYSA-N 0 0 318.804 3.484 20 10 DGCDRN [O-]c1c(Cl)cccc1CN(Cc1cocn1)Cc1cocn1 ZINC001231914285 1097891597 /nfs/dbraw/zinc/89/15/97/1097891597.db2.gz KSKOAEIFMLPDIE-UHFFFAOYSA-N 0 0 319.748 3.224 20 10 DGCDRN COC(=O)c1cccc(C[N@H+](C)Cc2cccc(Cl)c2[O-])c1 ZINC001231915117 1097892016 /nfs/dbraw/zinc/89/20/16/1097892016.db2.gz ZDBASTKVPWWKPC-UHFFFAOYSA-N 0 0 319.788 3.464 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCOC[C@H]1Cc1ccccc1 ZINC001231914209 1097892630 /nfs/dbraw/zinc/89/26/30/1097892630.db2.gz IBIBOKWQHRFXIX-MRXNPFEDSA-N 0 0 317.816 3.489 20 10 DGCDRN Cn1c(Cl)c(Cl)cc1C(=O)N1Cc2cccc(O)c2C1 ZINC001175031902 1097924694 /nfs/dbraw/zinc/92/46/94/1097924694.db2.gz VVCNYODYRMNPQG-UHFFFAOYSA-N 0 0 311.168 3.194 20 10 DGCDRN O=C(c1cc(-c2ccc(F)cc2)no1)N1Cc2cccc(O)c2C1 ZINC001175037111 1097926237 /nfs/dbraw/zinc/92/62/37/1097926237.db2.gz CSEHBKUGFFHJBK-UHFFFAOYSA-N 0 0 324.311 3.342 20 10 DGCDRN COc1cccc2c1CN(Cc1cc(Cl)c(O)cc1O)CC2 ZINC001232260901 1097984937 /nfs/dbraw/zinc/98/49/37/1097984937.db2.gz SNUHFNUCMVSXCS-UHFFFAOYSA-N 0 0 319.788 3.318 20 10 DGCDRN Cc1cc([C@@H]2CCCN2Cc2cc(Cl)c(O)cc2O)no1 ZINC001232260400 1097985408 /nfs/dbraw/zinc/98/54/08/1097985408.db2.gz PNGHTIHUDHNYHN-ZDUSSCGKSA-N 0 0 308.765 3.385 20 10 DGCDRN Oc1cc(O)c(CN2CCO[C@@H](c3ccccc3)C2)cc1Cl ZINC001232263339 1097985898 /nfs/dbraw/zinc/98/58/98/1097985898.db2.gz NEIILIOBEPDKJY-QGZVFWFLSA-N 0 0 319.788 3.325 20 10 DGCDRN COc1cc(O)c(CN2Cc3nc(C)sc3C2)cc1Cl ZINC001232271607 1097988200 /nfs/dbraw/zinc/98/82/00/1097988200.db2.gz YEVDKTVLTOWTOC-UHFFFAOYSA-N 0 0 310.806 3.335 20 10 DGCDRN COc1cc(O)c(CN2CCc3ncsc3C2)cc1Cl ZINC001232270019 1097988626 /nfs/dbraw/zinc/98/86/26/1097988626.db2.gz PQTYLIQMVXDLCA-UHFFFAOYSA-N 0 0 310.806 3.069 20 10 DGCDRN COc1ccc(N2CCN(Cc3cc4ccoc4cn3)CC2)cc1 ZINC001232550159 1098075165 /nfs/dbraw/zinc/07/51/65/1098075165.db2.gz ROOABULYWDADPZ-UHFFFAOYSA-N 0 0 323.396 3.159 20 10 DGCDRN CC(C)c1nc(CN(C)Cc2cc(O)c(O)c(O)c2)cs1 ZINC001233017745 1098203884 /nfs/dbraw/zinc/20/38/84/1098203884.db2.gz ZXVPCWDVQNIWTI-UHFFFAOYSA-N 0 0 308.403 3.015 20 10 DGCDRN [O-]c1cc(Br)cc(F)c1C[NH+]1C2CCC1CC2 ZINC001233031444 1098206282 /nfs/dbraw/zinc/20/62/82/1098206282.db2.gz DJTBAAXRVUVFBN-UHFFFAOYSA-N 0 0 300.171 3.421 20 10 DGCDRN C[N@@H+]1CCN(Cc2ccc(F)c(F)c2[O-])[C@H](c2ccccc2)C1 ZINC001233074725 1098219787 /nfs/dbraw/zinc/21/97/87/1098219787.db2.gz UXZLANRKOCLWMP-INIZCTEOSA-N 0 0 318.367 3.159 20 10 DGCDRN [O-]c1c(C[N@@H+]2CCC[C@@H]2Cc2ccccn2)ccc(F)c1F ZINC001233077097 1098219927 /nfs/dbraw/zinc/21/99/27/1098219927.db2.gz DHDSSLCMSQMCBO-CQSZACIVSA-N 0 0 304.340 3.273 20 10 DGCDRN Cc1ccc2c(c1NC1=CCOCC1)C(=O)c1ccccc1C2=O ZINC001176147172 1098258431 /nfs/dbraw/zinc/25/84/31/1098258431.db2.gz JCTGWKPLAVQHLL-UHFFFAOYSA-N 0 0 319.360 3.487 20 10 DGCDRN COc1ccc(N2CC[NH+](Cc3ccc([S-])cc3)CC2)cc1 ZINC001233258648 1098266145 /nfs/dbraw/zinc/26/61/45/1098266145.db2.gz NSWOGNZNMSIJEK-UHFFFAOYSA-N 0 0 314.454 3.306 20 10 DGCDRN COc1cc(Cl)cc(CN2Cc3cnc(C)cc3C2)c1O ZINC001233290056 1098277780 /nfs/dbraw/zinc/27/77/80/1098277780.db2.gz FVVXXZREXAZZQX-UHFFFAOYSA-N 0 0 304.777 3.273 20 10 DGCDRN Oc1ccc(F)c(F)c1CN1CC(OCc2ccccc2)C1 ZINC001233334358 1098292037 /nfs/dbraw/zinc/29/20/37/1098292037.db2.gz CQPNRFAYQUFGNQ-UHFFFAOYSA-N 0 0 305.324 3.071 20 10 DGCDRN Cc1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc(O)c1C ZINC001176276015 1098297945 /nfs/dbraw/zinc/29/79/45/1098297945.db2.gz FPJRFPYSNFWCNN-UHFFFAOYSA-N 0 0 312.329 3.424 20 10 DGCDRN Oc1cccc2c1CN(Cc1cnc3cccc(Cl)n13)CC2 ZINC001233359763 1098301875 /nfs/dbraw/zinc/30/18/75/1098301875.db2.gz KZDSEVZHNMYMIH-UHFFFAOYSA-N 0 0 313.788 3.252 20 10 DGCDRN [O-]c1c(C[N@@H+]2CCC[C@@]3(CCOC3)C2)cccc1C(F)(F)F ZINC001233416495 1098321803 /nfs/dbraw/zinc/32/18/03/1098321803.db2.gz KHEORLIMLSZKJG-OAHLLOKOSA-N 0 0 315.335 3.414 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cccc1C(F)(F)F ZINC001233416178 1098323043 /nfs/dbraw/zinc/32/30/43/1098323043.db2.gz YRKRLRIGGUKWOE-BXUZGUMPSA-N 0 0 315.335 3.412 20 10 DGCDRN CC1(C)CN(Cc2cccc(C(F)(F)F)c2O)CCC1=O ZINC001233418478 1098325105 /nfs/dbraw/zinc/32/51/05/1098325105.db2.gz IQGNOEHDYHSZLK-UHFFFAOYSA-N 0 0 301.308 3.212 20 10 DGCDRN CN(Cc1nccs1)Cc1ccc(C(F)(F)F)cc1O ZINC001233454726 1098339523 /nfs/dbraw/zinc/33/95/23/1098339523.db2.gz IBUQNZPQBAKMCP-UHFFFAOYSA-N 0 0 302.321 3.500 20 10 DGCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@@H](C)c1cnn(C)c1C ZINC001233495745 1098350783 /nfs/dbraw/zinc/35/07/83/1098350783.db2.gz RKEIFNAFMDMMQH-NSHDSACASA-N 0 0 318.373 3.263 20 10 DGCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@H]1CCCC[C@@H]1OC ZINC001233496656 1098352407 /nfs/dbraw/zinc/35/24/07/1098352407.db2.gz YSQFJHWIEDILQT-HOTGVXAUSA-N 0 0 308.374 3.417 20 10 DGCDRN CCSc1ccc(CC(=O)NCc2cccc(O)c2O)cc1 ZINC001176566496 1098388539 /nfs/dbraw/zinc/38/85/39/1098388539.db2.gz YLXPZHFPKIDIJQ-UHFFFAOYSA-N 0 0 317.410 3.069 20 10 DGCDRN O=C(NCc1cccc(O)c1O)[C@H]1CCc2c1cccc2Cl ZINC001176565371 1098388713 /nfs/dbraw/zinc/38/87/13/1098388713.db2.gz KIYJYLZTQGVLQX-ZDUSSCGKSA-N 0 0 317.772 3.097 20 10 DGCDRN Cc1cnc(F)c([C@H](C)Oc2nc[nH]c3cc(=O)c(O)cc2-3)c1 ZINC001233948239 1098464946 /nfs/dbraw/zinc/46/49/46/1098464946.db2.gz DKGBRWPDQPVGJP-VIFPVBQESA-N 0 0 315.304 3.024 20 10 DGCDRN C[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])N1CCC[C@@H](C)C1 ZINC001177262686 1098508678 /nfs/dbraw/zinc/50/86/78/1098508678.db2.gz XEWJEDAFFXUPMJ-VXGBXAGGSA-N 0 0 314.832 3.395 20 10 DGCDRN Cc1ccc(OC[C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC001177537346 1098551457 /nfs/dbraw/zinc/55/14/57/1098551457.db2.gz NYGMLMLCFJIKFQ-ZDUSSCGKSA-N 0 0 316.357 3.166 20 10 DGCDRN C[C@H](NC(=O)NCc1c(O)cccc1F)[C@@]12C[C@@H]1CCCC2 ZINC001234447720 1098556566 /nfs/dbraw/zinc/55/65/66/1098556566.db2.gz SEJHRCQTHDCKCD-NVGCLXPQSA-N 0 0 306.381 3.299 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H](CC(C)C)C(=O)OC(C)C ZINC001234473880 1098563973 /nfs/dbraw/zinc/56/39/73/1098563973.db2.gz LIBJKZYUQPQPSD-INIZCTEOSA-N 0 0 324.373 3.046 20 10 DGCDRN COc1ccc(N2CCN(Cc3cc4ccccc4[nH]3)CC2)cc1 ZINC000067854630 1098580436 /nfs/dbraw/zinc/58/04/36/1098580436.db2.gz YZSAVBCHQQGXTC-UHFFFAOYSA-N 0 0 321.424 3.499 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3CC[C@](C)(O)[C@@H](C)C3)c2c1 ZINC001234526249 1098580568 /nfs/dbraw/zinc/58/05/68/1098580568.db2.gz RMXBERSNCNWRHF-DJJJIMSYSA-N 0 0 315.413 3.147 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@@H](CO)CC3)c2c1 ZINC001234526359 1098581126 /nfs/dbraw/zinc/58/11/26/1098581126.db2.gz UIRYVOOCIQHFIE-CQSZACIVSA-N 0 0 315.413 3.148 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC001177822486 1098607201 /nfs/dbraw/zinc/60/72/01/1098607201.db2.gz KKWMLGGNOSQWAV-QMMMGPOBSA-N 0 0 319.311 3.103 20 10 DGCDRN Oc1c(CN2CC[C@H](O)C(F)(F)C2)cccc1-c1ccccc1 ZINC001234996668 1098739159 /nfs/dbraw/zinc/73/91/59/1098739159.db2.gz LVNQUEGSNSJAFZ-INIZCTEOSA-N 0 0 319.351 3.261 20 10 DGCDRN CCn1cc(NCc2cc(C)cc(Br)c2O)cn1 ZINC001178192113 1098742736 /nfs/dbraw/zinc/74/27/36/1098742736.db2.gz UDLIIFIQKXZLAK-UHFFFAOYSA-N 0 0 310.195 3.292 20 10 DGCDRN Cc1nc(CN(C)Cc2cccc(-c3ccccc3)c2O)no1 ZINC001235000469 1098743072 /nfs/dbraw/zinc/74/30/72/1098743072.db2.gz IKHLFTUKIBTFBY-UHFFFAOYSA-N 0 0 309.369 3.383 20 10 DGCDRN Cc1cc(C)c(CNC(=O)[C@@H](c2ccccn2)C2CC2)c(O)c1 ZINC001178243259 1098770493 /nfs/dbraw/zinc/77/04/93/1098770493.db2.gz KRXAIIJJRWYXEA-GOSISDBHSA-N 0 0 310.397 3.214 20 10 DGCDRN CC(C)(C)c1nc(C(=O)NCc2c(O)cccc2F)cs1 ZINC001178412564 1098828058 /nfs/dbraw/zinc/82/80/58/1098828058.db2.gz AFCBWYXPGAWJEW-UHFFFAOYSA-N 0 0 308.378 3.215 20 10 DGCDRN COc1ccc(CN2CCCC[C@]23CCC[NH2+]C3)c([O-])c1Cl ZINC001235176625 1098857015 /nfs/dbraw/zinc/85/70/15/1098857015.db2.gz CUBLUAGUQKEZHQ-QGZVFWFLSA-N 0 0 324.852 3.162 20 10 DGCDRN [O-]c1c(Br)cc(F)cc1C[NH+]1CCC(F)CC1 ZINC001235298367 1098947590 /nfs/dbraw/zinc/94/75/90/1098947590.db2.gz RSKNJYSOWRLBAP-UHFFFAOYSA-N 0 0 306.150 3.228 20 10 DGCDRN O=C([C@@H]1CCC(=O)c2ccccc21)N1CCc2cccc(O)c2C1 ZINC001178924848 1098964047 /nfs/dbraw/zinc/96/40/47/1098964047.db2.gz NBYVGDDWQPZMJE-MRXNPFEDSA-N 0 0 321.376 3.037 20 10 DGCDRN CCCCO[C@H](C)C(=O)NCc1c(O)ccc2ccccc21 ZINC001179030049 1099004474 /nfs/dbraw/zinc/00/44/74/1099004474.db2.gz XWYMXBMSNLHYOO-CYBMUJFWSA-N 0 0 301.386 3.367 20 10 DGCDRN CC(C)CO[C@@H](C)C(=O)NCc1c(O)ccc2ccccc21 ZINC001179029874 1099004880 /nfs/dbraw/zinc/00/48/80/1099004880.db2.gz USSRHWTXQVYVJD-ZDUSSCGKSA-N 0 0 301.386 3.223 20 10 DGCDRN CCc1noc(C)c1C(=O)NCc1c(O)ccc2ccccc21 ZINC001179028670 1099005282 /nfs/dbraw/zinc/00/52/82/1099005282.db2.gz BQXQNDZFHGOYEO-UHFFFAOYSA-N 0 0 310.353 3.334 20 10 DGCDRN CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c(O)c1 ZINC001235677174 1099119442 /nfs/dbraw/zinc/11/94/42/1099119442.db2.gz CDPHQHVYVPRTLA-YJEJQGFLSA-N 0 0 301.430 3.299 20 10 DGCDRN CC(C)(C)c1ccc(CN2CC(Oc3cccnc3)C2)c(O)c1 ZINC001235684879 1099127353 /nfs/dbraw/zinc/12/73/53/1099127353.db2.gz KYNDMJNDEIXXNR-UHFFFAOYSA-N 0 0 312.413 3.348 20 10 DGCDRN [O-]c1c(Cl)cccc1CN1CC[NH2+]C[C@@H]1Cc1ccccc1 ZINC001235849898 1099208318 /nfs/dbraw/zinc/20/83/18/1099208318.db2.gz PZYARTHVHRFETN-INIZCTEOSA-N 0 0 316.832 3.062 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C/C(F)(F)F ZINC001179927452 1099241456 /nfs/dbraw/zinc/24/14/56/1099241456.db2.gz FTBGXGYTVXBPKJ-MDZDMXLPSA-N 0 0 300.324 3.220 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccc(C(C)(C)C)nc2)c(O)c1O ZINC001180010283 1099280142 /nfs/dbraw/zinc/28/01/42/1099280142.db2.gz TYTDJAVXIDRGMM-UHFFFAOYSA-N 0 0 300.358 3.351 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)Nc2ccc3ncn(C)c3c2)cc1 ZINC001180128869 1099308116 /nfs/dbraw/zinc/30/81/16/1099308116.db2.gz WRZWBDFLPCCNRH-IZZDOVSWSA-N 0 0 320.396 3.291 20 10 DGCDRN CN(C)c1cccc(C[N@H+](C)Cc2ccc(F)c(F)c2[O-])c1 ZINC001180136390 1099311111 /nfs/dbraw/zinc/31/11/11/1099311111.db2.gz ASWGVKPPTXXZOL-UHFFFAOYSA-N 0 0 306.356 3.368 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)Nc2nsc3ncccc23)cc1 ZINC001180123334 1099321976 /nfs/dbraw/zinc/32/19/76/1099321976.db2.gz PPBIRENZQAZDJU-JXMROGBWSA-N 0 0 324.409 3.409 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCC=CCCC1 ZINC001180307464 1099365885 /nfs/dbraw/zinc/36/58/85/1099365885.db2.gz OQJRLJYGRRYUQK-GEWQAIFXSA-N 0 0 301.386 3.364 20 10 DGCDRN CCc1cc(C(=O)NCc2cccc(Cl)c2O)ccc1O ZINC001180410163 1099411303 /nfs/dbraw/zinc/41/13/03/1099411303.db2.gz KVHVZEWSHKXWLI-UHFFFAOYSA-N 0 0 305.761 3.244 20 10 DGCDRN Nc1ccc(CN2CCOC[C@H]2c2ccccc2Cl)cc1 ZINC001236314618 1099529188 /nfs/dbraw/zinc/52/91/88/1099529188.db2.gz NFQBHAJHSBAYBJ-KRWDZBQOSA-N 0 0 302.805 3.496 20 10 DGCDRN COC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC001187805736 1099607469 /nfs/dbraw/zinc/60/74/69/1099607469.db2.gz MRCFDMWFSDFFSH-NSHDSACASA-N 0 0 314.341 3.062 20 10 DGCDRN COc1cc(O)c(CN2CCC(F)(F)[C@@H](F)C2)c(Cl)c1 ZINC001236799700 1099793561 /nfs/dbraw/zinc/79/35/61/1099793561.db2.gz WLGDUEIAFARLOO-LBPRGKRZSA-N 0 0 309.715 3.233 20 10 DGCDRN Oc1cc(Cl)c(Cl)cc1CN1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001236790224 1099785728 /nfs/dbraw/zinc/78/57/28/1099785728.db2.gz NBKDDMNDTBIYKL-PELKAZGASA-N 0 0 324.154 3.165 20 10 DGCDRN CCc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccncc3)C2)c(O)c1 ZINC001236787935 1099785803 /nfs/dbraw/zinc/78/58/03/1099785803.db2.gz MGTCBBKLQAFXIU-GOSISDBHSA-N 0 0 312.413 3.393 20 10 DGCDRN CCOC(=O)CN(CC)Cc1cc(Cl)c(Cl)cc1O ZINC001236799929 1099792802 /nfs/dbraw/zinc/79/28/02/1099792802.db2.gz RUYROMYGIMUFAE-UHFFFAOYSA-N 0 0 306.189 3.084 20 10 DGCDRN COc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c([O-])c1Cl ZINC001236801976 1099796638 /nfs/dbraw/zinc/79/66/38/1099796638.db2.gz LXSBAAYWNYIBPK-WCQYABFASA-N 0 0 311.809 3.055 20 10 DGCDRN CC[N@H+](Cc1ccncc1)Cc1ccc(OC)c(Cl)c1[O-] ZINC001236806130 1099801194 /nfs/dbraw/zinc/80/11/94/1099801194.db2.gz NENFXHGNPLFNPK-UHFFFAOYSA-N 0 0 306.793 3.471 20 10 DGCDRN C[C@@H]1CN(Cc2ccc(Br)cc2O)CC(C)(C)O1 ZINC000691675499 1099924142 /nfs/dbraw/zinc/92/41/42/1099924142.db2.gz IYHWHQGKQIVYTR-SNVBAGLBSA-N 0 0 314.223 3.154 20 10 DGCDRN CC(C)c1ccc(C[N@@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001237044989 1099942399 /nfs/dbraw/zinc/94/23/99/1099942399.db2.gz GUHVTPGENKPLEK-KGLIPLIRSA-N 0 0 317.351 3.118 20 10 DGCDRN Oc1cc(OCC(F)(F)F)ccc1CN1Cc2cccnc2C1 ZINC001237050905 1099943738 /nfs/dbraw/zinc/94/37/38/1099943738.db2.gz FSWRTJZPTZLXSN-UHFFFAOYSA-N 0 0 324.302 3.244 20 10 DGCDRN Cc1ncc2n1CCN(Cc1c(O)ccc(Cl)c1Cl)C2 ZINC001237079317 1099959603 /nfs/dbraw/zinc/95/96/03/1099959603.db2.gz JTBDCXKIEDTGMR-UHFFFAOYSA-N 0 0 312.200 3.220 20 10 DGCDRN Oc1ccc(Cl)c(Cl)c1CN1CCCCC12COC2 ZINC001237083072 1099961289 /nfs/dbraw/zinc/96/12/89/1099961289.db2.gz YCCJOJGIJCOQMY-UHFFFAOYSA-N 0 0 302.201 3.454 20 10 DGCDRN [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001237084826 1099961670 /nfs/dbraw/zinc/96/16/70/1099961670.db2.gz OBDSIWAMZUTUKM-LPQAMYBRSA-N 0 0 314.212 3.308 20 10 DGCDRN Cc1cc(CN(C)Cc2c(O)ccc(Cl)c2Cl)n(C)n1 ZINC001237083065 1099961955 /nfs/dbraw/zinc/96/19/55/1099961955.db2.gz XURCWANUJZAGTO-UHFFFAOYSA-N 0 0 314.216 3.373 20 10 DGCDRN OCCN(Cc1c(O)ccc(Cl)c1Cl)CC(F)(F)F ZINC001237084605 1099962533 /nfs/dbraw/zinc/96/25/33/1099962533.db2.gz LVMJJNOMDKWYIP-UHFFFAOYSA-N 0 0 318.122 3.056 20 10 DGCDRN CC[N@H+](CCC(=O)OC)Cc1c([O-])ccc(Cl)c1Cl ZINC001237087058 1099963651 /nfs/dbraw/zinc/96/36/51/1099963651.db2.gz SRHUOHZCCXASKC-UHFFFAOYSA-N 0 0 306.189 3.084 20 10 DGCDRN C[C@H]1CN(Cc2c(O)cccc2OC(F)(F)F)CCCC1=O ZINC001237118790 1099979004 /nfs/dbraw/zinc/97/90/04/1099979004.db2.gz BDJMOKITWJWGJM-JTQLQIEISA-N 0 0 317.307 3.092 20 10 DGCDRN CC(C)[C@H]1COCCN1Cc1c(O)cccc1OC(F)(F)F ZINC001237116098 1099980446 /nfs/dbraw/zinc/98/04/46/1099980446.db2.gz WTWUSVFYZPFVPP-GFCCVEGCSA-N 0 0 319.323 3.148 20 10 DGCDRN Oc1ccc(C(F)(F)F)cc1CN1CC2(C1)C[C@@H](F)CS2 ZINC001237140706 1099988845 /nfs/dbraw/zinc/98/88/45/1099988845.db2.gz NXEXEYQOKIQJHU-LLVKDONJSA-N 0 0 321.339 3.440 20 10 DGCDRN Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC001237140670 1099990768 /nfs/dbraw/zinc/99/07/68/1099990768.db2.gz MWYZRXCJDCLYOS-OAHLLOKOSA-N 0 0 315.335 3.414 20 10 DGCDRN CN(Cc1cncs1)Cc1cc(C(F)(F)F)ccc1O ZINC001237142321 1099993954 /nfs/dbraw/zinc/99/39/54/1099993954.db2.gz HGUCRBLIODJRCY-UHFFFAOYSA-N 0 0 302.321 3.500 20 10 DGCDRN COC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000691681977 1100016483 /nfs/dbraw/zinc/01/64/83/1100016483.db2.gz ZVDYURLQWSLYEZ-NSHDSACASA-N 0 0 314.223 3.013 20 10 DGCDRN CC[N@@H+](Cc1ccc(Br)cc1O)C[C@@H](C)OC ZINC000691681983 1100016572 /nfs/dbraw/zinc/01/65/72/1100016572.db2.gz ZZEMAENAZRJSGE-SNVBAGLBSA-N 0 0 302.212 3.012 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2c[nH]nc2-c2ccccc2)c(O)c1 ZINC001189703549 1100115123 /nfs/dbraw/zinc/11/51/23/1100115123.db2.gz SJJJBLYLFIRCOO-UHFFFAOYSA-N 0 0 321.380 3.329 20 10 DGCDRN CC1(C)C[N@H+](Cc2cc(Cl)cc(F)c2[O-])[C@](C)(CO)C1 ZINC001237617178 1100190542 /nfs/dbraw/zinc/19/05/42/1100190542.db2.gz MBLSFFHCNOUPSJ-HNNXBMFYSA-N 0 0 301.789 3.168 20 10 DGCDRN Cc1cc(Cl)cc(CN2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)c1O ZINC001237686079 1100214874 /nfs/dbraw/zinc/21/48/74/1100214874.db2.gz GOVJFXRYMIIUEO-GVXVVHGQSA-N 0 0 321.726 3.258 20 10 DGCDRN [O-]c1c(Cl)cc(F)cc1CN1CCC([NH+]2CCCC2)CC1 ZINC001237798024 1100250128 /nfs/dbraw/zinc/25/01/28/1100250128.db2.gz AGHZDINVRKYARL-UHFFFAOYSA-N 0 0 312.816 3.245 20 10 DGCDRN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CC[C@H](COCC2CC2)C1 ZINC001237806418 1100253683 /nfs/dbraw/zinc/25/36/83/1100253683.db2.gz VMGDQHTZORTUNW-LBPRGKRZSA-N 0 0 313.800 3.433 20 10 DGCDRN COC[C@@]12CCC[C@@H]1C[N@H+](Cc1cc(F)c(Cl)cc1[O-])C2 ZINC001237938171 1100297372 /nfs/dbraw/zinc/29/73/72/1100297372.db2.gz VKVZRGBSFWAISC-WBMJQRKESA-N 0 0 313.800 3.433 20 10 DGCDRN O=c1cc(-c2cc3ccccc3[nH]c2=O)ccn1CC(F)(F)F ZINC001238883528 1100551741 /nfs/dbraw/zinc/55/17/41/1100551741.db2.gz HAHAIQPUUYNSSD-UHFFFAOYSA-N 0 0 320.270 3.331 20 10 DGCDRN Cc1cc(NS(=O)(=O)C(Cl)(Cl)Cl)c(C)cc1O ZINC001192032514 1100565409 /nfs/dbraw/zinc/56/54/09/1100565409.db2.gz UZGGDWBINDPSON-UHFFFAOYSA-N 0 0 318.609 3.078 20 10 DGCDRN CSc1ccc(C(=O)N2CCc3cccc(O)c3C2)s1 ZINC001192644672 1100648260 /nfs/dbraw/zinc/64/82/60/1100648260.db2.gz XALVWSCXQPDEIQ-UHFFFAOYSA-N 0 0 305.424 3.374 20 10 DGCDRN COc1cc(C(=O)Nc2cc(O)c(C)cc2Cl)cc(O)c1O ZINC001193104762 1100705745 /nfs/dbraw/zinc/70/57/45/1100705745.db2.gz RJODKOSQUWLSHJ-UHFFFAOYSA-N 0 0 323.732 3.026 20 10 DGCDRN COc1cc(C(=O)Nc2c(C)ccc3cccnc32)cc(O)c1O ZINC001193097269 1100709907 /nfs/dbraw/zinc/70/99/07/1100709907.db2.gz HATCWRFCTRZGPB-UHFFFAOYSA-N 0 0 324.336 3.215 20 10 DGCDRN O=C(Nc1cnccc1C1CC1)c1ccc(O)c(O)c1Cl ZINC001193219027 1100717892 /nfs/dbraw/zinc/71/78/92/1100717892.db2.gz FUNXARDILXPFOL-UHFFFAOYSA-N 0 0 304.733 3.276 20 10 DGCDRN Cc1ccc(CCNC(=O)c2ccc(O)c(O)c2Cl)c(C)c1 ZINC001193237107 1100719656 /nfs/dbraw/zinc/71/96/56/1100719656.db2.gz WLSUQVRHYHAESK-UHFFFAOYSA-N 0 0 319.788 3.341 20 10 DGCDRN O=C(NC[C@@H]1CCc2ccccc21)c1ccc(O)c(O)c1Cl ZINC001193246964 1100720510 /nfs/dbraw/zinc/72/05/10/1100720510.db2.gz FTRIOQAIAXONRU-NSHDSACASA-N 0 0 317.772 3.211 20 10 DGCDRN COCCOC(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001193446334 1100739988 /nfs/dbraw/zinc/73/99/88/1100739988.db2.gz QFHVDYNHXNTPBV-OAHLLOKOSA-N 0 0 307.390 3.005 20 10 DGCDRN COCCn1ccc(-c2cncc(Oc3ccccc3)c2)cc1=O ZINC001239760155 1100746575 /nfs/dbraw/zinc/74/65/75/1100746575.db2.gz SMQIYBVQACTJRT-UHFFFAOYSA-N 0 0 322.364 3.349 20 10 DGCDRN COCCn1ccc2c1ncnc2-c1cncc2ccccc21 ZINC001239944183 1100806739 /nfs/dbraw/zinc/80/67/39/1100806739.db2.gz FJTSJPZYKUIZFS-UHFFFAOYSA-N 0 0 304.353 3.293 20 10 DGCDRN Cc1nn(C)c(C)c1-c1ccn(Cc2cccc(F)c2)c(=O)c1 ZINC001240144499 1100878357 /nfs/dbraw/zinc/87/83/57/1100878357.db2.gz FYCYANVDOKQNND-UHFFFAOYSA-N 0 0 311.360 3.053 20 10 DGCDRN CSc1ncc(C(=O)N2CCc3cccc(O)c3C2)cc1C ZINC001194327765 1100913976 /nfs/dbraw/zinc/91/39/76/1100913976.db2.gz HBIAFADPVCWFBB-UHFFFAOYSA-N 0 0 314.410 3.016 20 10 DGCDRN Cc1c(C)n(Cc2ccco2)c2ncnc(-c3cncnc3)c12 ZINC001240374352 1100965039 /nfs/dbraw/zinc/96/50/39/1100965039.db2.gz ATXONNXAEFFHGB-UHFFFAOYSA-N 0 0 305.341 3.146 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2cnc(C)cc2Cl)c(O)c1 ZINC001194901538 1101033369 /nfs/dbraw/zinc/03/33/69/1101033369.db2.gz HUVKRVTYPJUXOR-UHFFFAOYSA-N 0 0 304.777 3.296 20 10 DGCDRN Cc1cc(N2CCOCC2)ncc1-c1ccc2ccn(C)c2c1 ZINC001240574481 1101055537 /nfs/dbraw/zinc/05/55/37/1101055537.db2.gz NCJAUUFDZGRJNM-UHFFFAOYSA-N 0 0 307.397 3.385 20 10 DGCDRN Cn1ccc2ccc(-c3ccc(C(=O)N4CCCC4)nc3)cc21 ZINC001240574938 1101055688 /nfs/dbraw/zinc/05/56/88/1101055688.db2.gz LGQXJNLQALLSQA-UHFFFAOYSA-N 0 0 305.381 3.476 20 10 DGCDRN CCOC(=O)c1cn2c(cncc2-c2ccc3ccn(C)c3c2)n1 ZINC001240574719 1101056298 /nfs/dbraw/zinc/05/62/98/1101056298.db2.gz ZHAFPSQDLVPANF-UHFFFAOYSA-N 0 0 320.352 3.065 20 10 DGCDRN Cn1ccc2ccc(-c3ccnn(-c4ccccc4)c3=O)cc21 ZINC001240576642 1101056988 /nfs/dbraw/zinc/05/69/88/1101056988.db2.gz UXVHENJKIHVDMW-UHFFFAOYSA-N 0 0 301.349 3.391 20 10 DGCDRN Cn1ccc2ccc(-c3ccc(=O)n(-c4ccncc4)c3)cc21 ZINC001240576263 1101057276 /nfs/dbraw/zinc/05/72/76/1101057276.db2.gz QFVOTCNEOVCSQJ-UHFFFAOYSA-N 0 0 301.349 3.391 20 10 DGCDRN CN(c1ccccc1)c1cc(-c2cnn([C@@H]3CCOC3)c2)ncn1 ZINC001240628514 1101077792 /nfs/dbraw/zinc/07/77/92/1101077792.db2.gz GOSMDXAAGRNOHB-MRXNPFEDSA-N 0 0 321.384 3.069 20 10 DGCDRN COc1cc2c(c(OC)c1)N(C[C@H]1CC[C@@H](C3CC3)O1)CCC2 ZINC001195176582 1101092709 /nfs/dbraw/zinc/09/27/09/1101092709.db2.gz BBYUZARWQZVKQA-WBVHZDCISA-N 0 0 317.429 3.414 20 10 DGCDRN O=C(NCc1ccccc1O)c1sccc1C(F)(F)F ZINC001195218920 1101101430 /nfs/dbraw/zinc/10/14/30/1101101430.db2.gz VFXNCYVSBADXIS-UHFFFAOYSA-N 0 0 301.289 3.403 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2c(F)cncc2Cl)c(O)c1 ZINC001195484654 1101146559 /nfs/dbraw/zinc/14/65/59/1101146559.db2.gz VJVOAGPIGCQATA-UHFFFAOYSA-N 0 0 308.740 3.127 20 10 DGCDRN Cc1cc[nH]c1C(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001195486128 1101146756 /nfs/dbraw/zinc/14/67/56/1101146756.db2.gz JTTTVFNYRHPUQT-PXTJVOGYSA-N 0 0 320.356 3.290 20 10 DGCDRN Cn1ccc(-c2nccc3ccn(Cc4ccccc4)c32)cc1=O ZINC001240983217 1101208901 /nfs/dbraw/zinc/20/89/01/1101208901.db2.gz DZOCLRFFKIOFAO-UHFFFAOYSA-N 0 0 315.376 3.450 20 10 DGCDRN Cc1ccc(F)cc1NC(=S)NCc1ncc(F)cc1F ZINC001195931650 1101223317 /nfs/dbraw/zinc/22/33/17/1101223317.db2.gz CLSQUCYVVPXTCA-UHFFFAOYSA-N 0 0 311.332 3.294 20 10 DGCDRN COC(=O)c1cc2ccc(-c3cnc(N(C)C)cc3C)cc2n1C ZINC001241243040 1101314039 /nfs/dbraw/zinc/31/40/39/1101314039.db2.gz NNUVGEJAFSKKKR-UHFFFAOYSA-N 0 0 323.396 3.401 20 10 DGCDRN FC(F)Oc1nccnc1C1=CCN(c2ccccc2)CC1 ZINC001241345013 1101391867 /nfs/dbraw/zinc/39/18/67/1101391867.db2.gz BGHPBNUVDGNKFF-UHFFFAOYSA-N 0 0 303.312 3.372 20 10 DGCDRN Cc1nccn1-c1cncc(C2=CCN(c3ccccc3)CC2)n1 ZINC001241345327 1101392504 /nfs/dbraw/zinc/39/25/04/1101392504.db2.gz GEHCMQMRIVQNKW-UHFFFAOYSA-N 0 0 317.396 3.264 20 10 DGCDRN c1ccc(N2CC=C(c3cncc(N4CCOCC4)c3)CC2)cc1 ZINC001241354709 1101397558 /nfs/dbraw/zinc/39/75/58/1101397558.db2.gz HQFZQPXCLNETMM-UHFFFAOYSA-N 0 0 321.424 3.212 20 10 DGCDRN COC(=O)c1nc(OC)ccc1C1=CCN(c2ccccc2)CC1 ZINC001241355388 1101400450 /nfs/dbraw/zinc/40/04/50/1101400450.db2.gz NDZGCJUJSPGEKQ-UHFFFAOYSA-N 0 0 324.380 3.171 20 10 DGCDRN COC(=O)c1cc2ccc(-c3cnc(SC)nc3)cc2n1C ZINC001241627157 1101591214 /nfs/dbraw/zinc/59/12/14/1101591214.db2.gz GLODFVLRIJZTSL-UHFFFAOYSA-N 0 0 313.382 3.144 20 10 DGCDRN CSc1ncc(-c2ccn(Cc3ccccc3)c(=O)c2)cn1 ZINC001241631539 1101594430 /nfs/dbraw/zinc/59/44/30/1101594430.db2.gz RMDBAHLJVAMZRW-UHFFFAOYSA-N 0 0 309.394 3.076 20 10 DGCDRN CC(C)Cn1ccc(-c2cnc(N)cc2C(F)(F)F)cc1=O ZINC001241684007 1101634118 /nfs/dbraw/zinc/63/41/18/1101634118.db2.gz LCRGCFOSBIBVQR-UHFFFAOYSA-N 0 0 311.307 3.167 20 10 DGCDRN Cn1ccc2c1cccc2-c1ccc(=O)n(-c2cccnc2)c1 ZINC001241822668 1101728277 /nfs/dbraw/zinc/72/82/77/1101728277.db2.gz ADZZZFXVUKECFH-UHFFFAOYSA-N 0 0 301.349 3.391 20 10 DGCDRN Cn1ccc2c1cccc2-c1ccc(=O)n(Cc2ccccn2)c1 ZINC001241824237 1101729837 /nfs/dbraw/zinc/72/98/37/1101729837.db2.gz OBGYPRHLXJAMPN-UHFFFAOYSA-N 0 0 315.376 3.450 20 10 DGCDRN COc1ccncc1-c1ccn(Cc2ccccc2F)c(=O)c1 ZINC001242060178 1101887278 /nfs/dbraw/zinc/88/72/78/1101887278.db2.gz BBJHCGGNLNCBNB-UHFFFAOYSA-N 0 0 310.328 3.106 20 10 DGCDRN O=c1cc(-c2cnn(Cc3cccs3)c2)ccn1CC1CC1 ZINC001242094388 1101907629 /nfs/dbraw/zinc/90/76/29/1101907629.db2.gz XNOTYJFWZOBQMV-UHFFFAOYSA-N 0 0 311.410 3.232 20 10 DGCDRN Cc1ncc(-c2cc(N3CCc4ccccc43)ncn2)cc1N ZINC001242410795 1102111525 /nfs/dbraw/zinc/11/15/25/1102111525.db2.gz YOUPQGITBIURKS-UHFFFAOYSA-N 0 0 303.369 3.123 20 10 DGCDRN Cn1c(=O)ccc2ccc(-c3ccccc3-n3cccn3)cc21 ZINC001242712860 1102301228 /nfs/dbraw/zinc/30/12/28/1102301228.db2.gz JSECZKRKDWLKHV-UHFFFAOYSA-N 0 0 301.349 3.391 20 10 DGCDRN COC(=O)c1cc2ccc(-c3cnn4ccccc34)cc2n1C ZINC001242965829 1102446219 /nfs/dbraw/zinc/44/62/19/1102446219.db2.gz KJKDEXCPXVRDLI-UHFFFAOYSA-N 0 0 305.337 3.280 20 10 DGCDRN Cc1cc(NC(=S)NCCc2ccc(O)c(O)c2)ccc1F ZINC001201043013 1102480502 /nfs/dbraw/zinc/48/05/02/1102480502.db2.gz KORVIVUKEUQFJF-UHFFFAOYSA-N 0 0 320.389 3.074 20 10 DGCDRN O=C(C1CC1)N1CC=C(c2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001243029039 1102486440 /nfs/dbraw/zinc/48/64/40/1102486440.db2.gz BJYXVOJUYSUDJO-UHFFFAOYSA-N 0 0 322.452 3.411 20 10 DGCDRN CSc1ncc(-c2ccn(Cc3ccncc3)c(=O)c2)cc1C ZINC001243160755 1102562347 /nfs/dbraw/zinc/56/23/47/1102562347.db2.gz ZROOCDGRXADKTN-UHFFFAOYSA-N 0 0 323.421 3.384 20 10 DGCDRN CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1(C)C ZINC001201657075 1102687942 /nfs/dbraw/zinc/68/79/42/1102687942.db2.gz URLFXIFNVFOHOA-NFMODRRSSA-N 0 0 301.789 3.334 20 10 DGCDRN CN(C)c1ccc(CN[C@H]2COc3cc(F)cc(F)c32)cc1F ZINC001201962917 1102774602 /nfs/dbraw/zinc/77/46/02/1102774602.db2.gz IQLDJOUJVBPIBE-AWEZNQCLSA-N 0 0 322.330 3.393 20 10 DGCDRN COc1ccc(NC(=O)NCc2cc(Cl)ccc2O)c(C)n1 ZINC001202010901 1102780849 /nfs/dbraw/zinc/78/08/49/1102780849.db2.gz PTPNLIQWOMHCHS-UHFFFAOYSA-N 0 0 321.764 3.079 20 10 DGCDRN CCN(CC)C(=O)c1ccc(-c2cnc3ccn(C)c3c2)cn1 ZINC001243768993 1102968436 /nfs/dbraw/zinc/96/84/36/1102968436.db2.gz SCCJDOJFHGFFLP-UHFFFAOYSA-N 0 0 308.385 3.117 20 10 DGCDRN CCOc1ncc(-c2ccn(CC(F)(F)F)c(=O)c2)cc1F ZINC001243777433 1102973871 /nfs/dbraw/zinc/97/38/71/1102973871.db2.gz VFGLVPHYBQMMON-UHFFFAOYSA-N 0 0 316.254 3.010 20 10 DGCDRN Cc1ccc(NC(=O)N2CCCc3cc(O)c(O)cc3C2)cc1 ZINC001202427184 1102974852 /nfs/dbraw/zinc/97/48/52/1102974852.db2.gz PGHWMQNGGLWEDR-UHFFFAOYSA-N 0 0 312.369 3.387 20 10 DGCDRN COC(=O)c1c(C)cc(-c2ccc(C3=S=CC=C3)nn2)cc1C ZINC001244007752 1103128233 /nfs/dbraw/zinc/12/82/33/1103128233.db2.gz FJDTZEUVQPNKHQ-UHFFFAOYSA-N 0 0 324.405 3.173 20 10 DGCDRN C[C@H]1CC[C@H](CCC(=O)Nc2c3nonc3ccc2Cl)O1 ZINC001327168114 1103564716 /nfs/dbraw/zinc/56/47/16/1103564716.db2.gz XWBPZWUOKYRDAV-DTWKUNHWSA-N 0 0 309.753 3.162 20 10 DGCDRN CCOc1ncc(-c2ccn(CC(F)(F)F)c(=O)c2)cc1C ZINC001244685271 1103621891 /nfs/dbraw/zinc/62/18/91/1103621891.db2.gz VCBDVITTZXOUGE-UHFFFAOYSA-N 0 0 312.291 3.180 20 10 DGCDRN CC(=O)c1ccc(-c2ccc(C3=S=CC=C3)nn2)c(F)c1F ZINC001244701374 1103635710 /nfs/dbraw/zinc/63/57/10/1103635710.db2.gz IBSZPWNRAWUWPI-UHFFFAOYSA-N 0 0 316.332 3.250 20 10 DGCDRN C[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)n1cccc1 ZINC001327648457 1103697676 /nfs/dbraw/zinc/69/76/76/1103697676.db2.gz NAXFUUYFVXXAQH-MRXNPFEDSA-N 0 0 311.429 3.356 20 10 DGCDRN C[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)n1cccc1 ZINC001327648456 1103698577 /nfs/dbraw/zinc/69/85/77/1103698577.db2.gz NAXFUUYFVXXAQH-INIZCTEOSA-N 0 0 311.429 3.356 20 10 DGCDRN O=C1CN(Cc2ccc(N3CCCC3)cc2)Cc2ccccc2N1 ZINC001327668256 1103702985 /nfs/dbraw/zinc/70/29/85/1103702985.db2.gz KLGFQQDENBKNKV-UHFFFAOYSA-N 0 0 321.424 3.241 20 10 DGCDRN Cn1c(=O)ccc2ccc(-c3cnc(Br)s3)cc21 ZINC001244907453 1103754736 /nfs/dbraw/zinc/75/47/36/1103754736.db2.gz MYSNICYOMLTWHN-UHFFFAOYSA-N 0 0 321.199 3.425 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1 ZINC001328089056 1103840501 /nfs/dbraw/zinc/84/05/01/1103840501.db2.gz WCTLZHFAZXVPIM-BMFZPTHFSA-N 0 0 322.399 3.392 20 10 DGCDRN Cn1c(=O)ccc2ccc(-c3cncn3Cc3ccccc3)cc21 ZINC001245202111 1103908312 /nfs/dbraw/zinc/90/83/12/1103908312.db2.gz RCRRJSGACZDGHE-UHFFFAOYSA-N 0 0 315.376 3.450 20 10 DGCDRN C[C@@H](CC(=O)Nc1c2nonc2ccc1Cl)[C@@H]1CCCO1 ZINC001328696915 1104024865 /nfs/dbraw/zinc/02/48/65/1104024865.db2.gz HSLWVMADLAFPSN-KWQFWETISA-N 0 0 309.753 3.020 20 10 DGCDRN Nc1ccc(OC(=O)c2ccc(Nc3cccc(=O)[nH]3)cc2)cc1 ZINC001212792569 1104046216 /nfs/dbraw/zinc/04/62/16/1104046216.db2.gz ZIHDLPJDUWVYKB-UHFFFAOYSA-N 0 0 321.336 3.332 20 10 DGCDRN COC(=O)c1ccccc1NC(=O)N[C@H](C)c1ccccc1O ZINC001202686640 1104119761 /nfs/dbraw/zinc/11/97/61/1104119761.db2.gz SIFYOIBILWXUTR-LLVKDONJSA-N 0 0 314.341 3.062 20 10 DGCDRN Cc1cnc(C)nc1N1CC=C(c2ccc(Cl)nc2)CC1 ZINC001329157208 1104173264 /nfs/dbraw/zinc/17/32/64/1104173264.db2.gz GFYGHDNVNIHROO-UHFFFAOYSA-N 0 0 300.793 3.436 20 10 DGCDRN C[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)CC(F)F ZINC001329236344 1104196112 /nfs/dbraw/zinc/19/61/12/1104196112.db2.gz KJYSBHURQWBSKD-ZDUSSCGKSA-N 0 0 323.387 3.153 20 10 DGCDRN COc1ccc(N(C)CCC2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC001329841731 1104398130 /nfs/dbraw/zinc/39/81/30/1104398130.db2.gz SONUAALCQZXHOC-UHFFFAOYSA-N 0 0 320.433 3.388 20 10 DGCDRN COc1ccc(N2CCC3(C[C@@H]3C(=O)NCC(C)C)CC2)cc1 ZINC001274790508 1104489936 /nfs/dbraw/zinc/48/99/36/1104489936.db2.gz JODKCEVBUKAVAE-QGZVFWFLSA-N 0 0 316.445 3.074 20 10 DGCDRN CCOc1ccc(N2CC[C@@]3(CCN([C@@H](C)CC)C3=O)C2)cc1 ZINC001274790496 1104490278 /nfs/dbraw/zinc/49/02/78/1104490278.db2.gz JHYZHEULYBUXOE-HNAYVOBHSA-N 0 0 316.445 3.313 20 10 DGCDRN CCOc1ccc(N2CC[C@]3(CCN([C@H](C)CC)C3=O)C2)cc1 ZINC001274790494 1104490324 /nfs/dbraw/zinc/49/03/24/1104490324.db2.gz JHYZHEULYBUXOE-BEFAXECRSA-N 0 0 316.445 3.313 20 10 DGCDRN COc1ccc(N2CCC[C@]23CCN(CC=C(C)C)C3=O)cc1 ZINC001274791218 1104491901 /nfs/dbraw/zinc/49/19/01/1104491901.db2.gz QQNAEMDWAFWQEP-LJQANCHMSA-N 0 0 314.429 3.233 20 10 DGCDRN C[C@H](NC(=O)NCCCc1ccc(O)cc1)c1ccccc1O ZINC001330237647 1104517215 /nfs/dbraw/zinc/51/72/15/1104517215.db2.gz CNBMJFUPPARFNH-ZDUSSCGKSA-N 0 0 314.385 3.091 20 10 DGCDRN COc1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC(C)C)c(C)c1 ZINC001274873688 1104526645 /nfs/dbraw/zinc/52/66/45/1104526645.db2.gz NSLFJUJFNKQJKC-QZTJIDSGSA-N 0 0 316.445 3.229 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccccc1O ZINC001299479722 1104699372 /nfs/dbraw/zinc/69/93/72/1104699372.db2.gz ZGHFAPZHGRXNEJ-CQSZACIVSA-N 0 0 312.413 3.128 20 10 DGCDRN CCc1ccc(NC(=S)NCc2ccc(O)cc2O)cc1 ZINC001247361651 1104878538 /nfs/dbraw/zinc/87/85/38/1104878538.db2.gz SDLCAZQQKFQWPH-UHFFFAOYSA-N 0 0 302.399 3.147 20 10 DGCDRN Cc1cccnc1CNC(=S)Nc1c(F)cc(F)cc1F ZINC001247370252 1104881894 /nfs/dbraw/zinc/88/18/94/1104881894.db2.gz VCTFPJXNSBHHIY-UHFFFAOYSA-N 0 0 311.332 3.294 20 10 DGCDRN COC(=O)/C=C/c1nc(-c2ccc(-n3c(C)ccc3C)cc2)no1 ZINC001247527829 1104919401 /nfs/dbraw/zinc/91/94/01/1104919401.db2.gz KZOLSNBGELACBK-ZHACJKMWSA-N 0 0 323.352 3.330 20 10 DGCDRN Cc1c(F)cc(-c2noc(Cc3ccc(O)c(O)c3)n2)cc1F ZINC001247959820 1105021745 /nfs/dbraw/zinc/02/17/45/1105021745.db2.gz ZKHWOCIJAPNDQO-UHFFFAOYSA-N 0 0 318.279 3.325 20 10 DGCDRN COc1cc(-c2noc(Cc3ccc(O)c(O)c3)n2)ccc1C ZINC001247958786 1105021839 /nfs/dbraw/zinc/02/18/39/1105021839.db2.gz CUIJEOVPBXJYBC-UHFFFAOYSA-N 0 0 312.325 3.056 20 10 DGCDRN COc1ccnc(-c2noc(/C=C/c3ccc(N(C)C)cc3)n2)c1 ZINC001248038863 1105037371 /nfs/dbraw/zinc/03/73/71/1105037371.db2.gz GMMHFYVZPPLFFY-RMKNXTFCSA-N 0 0 322.368 3.377 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2noc(CC3COC3)n2)cc1 ZINC001248304931 1105093530 /nfs/dbraw/zinc/09/35/30/1105093530.db2.gz RSFAWRFZDWSTTC-UHFFFAOYSA-N 0 0 309.369 3.333 20 10 DGCDRN Fc1ccc(F)c(NC(=S)NCc2cccc3ccnn32)c1 ZINC001248618011 1105137485 /nfs/dbraw/zinc/13/74/85/1105137485.db2.gz OYADVXHEHOUXAA-UHFFFAOYSA-N 0 0 318.352 3.099 20 10 DGCDRN O=C(NCC[C@@H]1CC[C@H]2C[C@H]21)NCc1cc(Cl)ccc1O ZINC001248736550 1105153049 /nfs/dbraw/zinc/15/30/49/1105153049.db2.gz IGJHCROWJLHADW-MJVIPROJSA-N 0 0 308.809 3.281 20 10 DGCDRN C[C@H]1CN(C)C(=O)CN1Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001248885241 1105186305 /nfs/dbraw/zinc/18/63/05/1105186305.db2.gz OSGNNICWIJDXHP-NSHDSACASA-N 0 0 324.852 3.006 20 10 DGCDRN Oc1ccc(CCc2nc(-c3cccc(F)c3)no2)cc1O ZINC001248984153 1105208777 /nfs/dbraw/zinc/20/87/77/1105208777.db2.gz NZQSFOFCFWKIOC-UHFFFAOYSA-N 0 0 300.289 3.072 20 10 DGCDRN Oc1ccc(CCc2nc(-c3ncccc3C3CC3)no2)cc1O ZINC001248983625 1105208855 /nfs/dbraw/zinc/20/88/55/1105208855.db2.gz FTAOTOWZQZTNEU-UHFFFAOYSA-N 0 0 323.352 3.205 20 10 DGCDRN COc1ccc2[nH]c(CN(C)Cc3ccc(N(C)C)cc3)nc2c1 ZINC001249415407 1105283168 /nfs/dbraw/zinc/28/31/68/1105283168.db2.gz XOLQMJZNHSJFQG-UHFFFAOYSA-N 0 0 324.428 3.270 20 10 DGCDRN COc1cc(-c2nc3c(ccc(F)c3Cl)[nH]2)cc(O)c1O ZINC001250488569 1105523485 /nfs/dbraw/zinc/52/34/85/1105523485.db2.gz LODQYWFTLCVADY-UHFFFAOYSA-N 0 0 308.696 3.442 20 10 DGCDRN Oc1cc(-c2nc3cc(-c4ccncc4)ccc3[nH]2)cc(O)c1O ZINC001251248215 1105644060 /nfs/dbraw/zinc/64/40/60/1105644060.db2.gz GBGQCDZUUQECOG-UHFFFAOYSA-N 0 0 319.320 3.409 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=S)NCC1CCC1 ZINC001251530609 1105667684 /nfs/dbraw/zinc/66/76/84/1105667684.db2.gz GMHQCBMCAKVGHF-UHFFFAOYSA-N 0 0 305.491 3.249 20 10 DGCDRN O=S(=O)(Nc1cc(F)c(O)cc1F)c1ccc(Cl)cc1 ZINC001251738149 1105689431 /nfs/dbraw/zinc/68/94/31/1105689431.db2.gz CRTGYZNCXATMAE-UHFFFAOYSA-N 0 0 319.716 3.125 20 10 DGCDRN CN(C)c1ccc([C@H](O)c2nnc(-c3ccc(F)cc3)o2)cc1 ZINC001252224690 1105755934 /nfs/dbraw/zinc/75/59/34/1105755934.db2.gz LGNOFWFURBFVHO-HNNXBMFYSA-N 0 0 313.332 3.023 20 10 DGCDRN Cc1ccc(NS(=O)(=O)C(C)C)c(C(=O)c2ccccc2)c1 ZINC001252529773 1105789924 /nfs/dbraw/zinc/78/99/24/1105789924.db2.gz LXTSHXBESKOKMR-UHFFFAOYSA-N 0 0 317.410 3.376 20 10 DGCDRN Cc1ccc(-c2nnc([C@@H](O)c3ccc(N(C)C)cc3)o2)cc1 ZINC001252662889 1105811926 /nfs/dbraw/zinc/81/19/26/1105811926.db2.gz ASFSIVSJDBNODJ-INIZCTEOSA-N 0 0 309.369 3.193 20 10 DGCDRN CC(C)(C)OC[C@H](O)CNc1ccccc1OCC(F)(F)F ZINC001253467052 1105943077 /nfs/dbraw/zinc/94/30/77/1105943077.db2.gz KWVXQDMATUUTPX-LLVKDONJSA-N 0 0 321.339 3.216 20 10 DGCDRN Oc1ccc(-c2nnc(Cc3ccccc3Cl)o2)cc1O ZINC001254336108 1106056365 /nfs/dbraw/zinc/05/63/65/1106056365.db2.gz UBRQQRSLWJSCEF-UHFFFAOYSA-N 0 0 302.717 3.392 20 10 DGCDRN Oc1cc(-c2nnc([C@@H]3C[C@@H]3c3ccccc3)o2)cc(O)c1O ZINC001254512033 1106087718 /nfs/dbraw/zinc/08/77/18/1106087718.db2.gz FHOUBSCHXSXEDJ-VXGBXAGGSA-N 0 0 310.309 3.125 20 10 DGCDRN COc1ccc(Cc2nnc(/C=C/c3ccc(O)c(O)c3)o2)cc1 ZINC001254748033 1106138460 /nfs/dbraw/zinc/13/84/60/1106138460.db2.gz MBBBMZPYXHINBW-WEVVVXLNSA-N 0 0 324.336 3.251 20 10 DGCDRN CCC(=O)CNC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl ZINC001254997436 1106164266 /nfs/dbraw/zinc/16/42/66/1106164266.db2.gz RJYUEYDBPDIHIF-UHFFFAOYSA-N 0 0 318.804 3.456 20 10 DGCDRN CCCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC001255239533 1106208941 /nfs/dbraw/zinc/20/89/41/1106208941.db2.gz LGPWXBVKZJPRFU-ZDUSSCGKSA-N 0 0 319.426 3.384 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)C3=CCCCC3)CC2)cc1 ZINC001255475103 1106255995 /nfs/dbraw/zinc/25/59/95/1106255995.db2.gz ZKXBRQCMNGDNJI-UHFFFAOYSA-N 0 0 314.429 3.234 20 10 DGCDRN Cc1c(C)c([N-]S(=O)(=O)c2ccc(F)cc2F)ccc1O ZINC001256067586 1106363230 /nfs/dbraw/zinc/36/32/30/1106363230.db2.gz WTFHCALWEHKGBM-UHFFFAOYSA-N 0 0 313.325 3.088 20 10 DGCDRN CCCCCc1nnc(/C=C/c2cc(O)c(O)c(OC)c2)o1 ZINC001256113291 1106369943 /nfs/dbraw/zinc/36/99/43/1106369943.db2.gz VCSDQKWJXNLWPE-BQYQJAHWSA-N 0 0 304.346 3.393 20 10 DGCDRN Cc1cc(Cc2nnc(-c3ccc(-n4cccc4)cc3)o2)nn1C ZINC001256957230 1106515338 /nfs/dbraw/zinc/51/53/38/1106515338.db2.gz MLQXPMOKUQXEJB-UHFFFAOYSA-N 0 0 319.368 3.160 20 10 DGCDRN OC[C@H](c1nnc(-c2ccc(-n3cccc3)cc2)o1)C(F)(F)F ZINC001256965486 1106517299 /nfs/dbraw/zinc/51/72/99/1106517299.db2.gz CWAUHXDIHVXNTB-GFCCVEGCSA-N 0 0 323.274 3.166 20 10 DGCDRN Cc1ccc([C@@H]2C[C@H]2c2nnc(-c3cc(O)c(O)c(O)c3)o2)cc1 ZINC001257209504 1106551717 /nfs/dbraw/zinc/55/17/17/1106551717.db2.gz LBHOSPOSLKLPQM-QWHCGFSZSA-N 0 0 324.336 3.433 20 10 DGCDRN Oc1ccc(-c2nnc(CCCc3ccccc3)o2)c(O)c1O ZINC001257747335 1106626432 /nfs/dbraw/zinc/62/64/32/1106626432.db2.gz QJHRCYLQPDZLLL-UHFFFAOYSA-N 0 0 312.325 3.029 20 10 DGCDRN CC[C@H]([NH2+]CCOCCCO)c1cc(Cl)cc(Cl)c1[O-] ZINC001258392052 1106727744 /nfs/dbraw/zinc/72/77/44/1106727744.db2.gz RCBCMAHZTZYEMV-ZDUSSCGKSA-N 0 0 322.232 3.139 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC001320031951 1106798724 /nfs/dbraw/zinc/79/87/24/1106798724.db2.gz UMVDVDYBMPFVOJ-MSSSOJMCSA-N 0 0 301.386 3.150 20 10 DGCDRN CSc1ccc(N(C)C(=O)c2c[nH]nc2-c2cccnc2)cc1 ZINC001320059433 1106831513 /nfs/dbraw/zinc/83/15/13/1106831513.db2.gz MTPIYEYIBABKAU-UHFFFAOYSA-N 0 0 324.409 3.470 20 10 DGCDRN Cc1ccc(C(=O)NCc2cccc(Cl)c2F)c(O)c1O ZINC001320065408 1106836245 /nfs/dbraw/zinc/83/62/45/1106836245.db2.gz KFCWDFHDXTZRCL-UHFFFAOYSA-N 0 0 309.724 3.129 20 10 DGCDRN c1cc(N2CCCC2)ccc1CNc1cnc2c(c1)COCC2 ZINC001320094954 1106867533 /nfs/dbraw/zinc/86/75/33/1106867533.db2.gz OGDUISHCLJMRHP-UHFFFAOYSA-N 0 0 309.413 3.367 20 10 DGCDRN Cc1ccc(-c2nnc(CCc3ccc(O)c(O)c3)o2)cc1F ZINC001258758854 1106957417 /nfs/dbraw/zinc/95/74/17/1106957417.db2.gz ZFSBMRUWDANDOQ-UHFFFAOYSA-N 0 0 314.316 3.381 20 10 DGCDRN CCN1C(=O)/C(=C\c2nc3c(s2)C[C@@H](C)CC3)SC1=S ZINC001320399802 1106993114 /nfs/dbraw/zinc/99/31/14/1106993114.db2.gz WKQGUNKLYOXXJO-LBTPYSACSA-N 0 0 324.496 3.489 20 10 DGCDRN O=C(NCc1cccc(C(F)F)c1)NCc1ccccc1O ZINC001320497586 1107027584 /nfs/dbraw/zinc/02/75/84/1107027584.db2.gz YWYRWRNQPFPYRM-UHFFFAOYSA-N 0 0 306.312 3.329 20 10 DGCDRN Cc1ccc(S(=O)(=O)Nc2c(F)cc(O)cc2F)cc1C ZINC001259168132 1107089810 /nfs/dbraw/zinc/08/98/10/1107089810.db2.gz RXOTZHZWDITMNP-UHFFFAOYSA-N 0 0 313.325 3.088 20 10 DGCDRN COc1cc(C)ccc1S(=O)(=O)Nc1c(C)cc(O)cc1C ZINC001259205493 1107099054 /nfs/dbraw/zinc/09/90/54/1107099054.db2.gz WIJDSCLUATZXKP-UHFFFAOYSA-N 0 0 321.398 3.127 20 10 DGCDRN CCc1nnc(N(CC)Cc2ccc(N(C)C)cc2)nc1CC ZINC001320749848 1107124881 /nfs/dbraw/zinc/12/48/81/1107124881.db2.gz NWEZDUSWGJPVGJ-UHFFFAOYSA-N 0 0 313.449 3.089 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)C[C@@H](C)CC)CC2)cc1 ZINC001320818089 1107149595 /nfs/dbraw/zinc/14/95/95/1107149595.db2.gz VRYGGJXAQLWCKZ-HNNXBMFYSA-N 0 0 304.434 3.170 20 10 DGCDRN C[C@H](CC1CCCCC1)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC001320880304 1107174189 /nfs/dbraw/zinc/17/41/89/1107174189.db2.gz YUHWMMPMWXIIPC-GFCCVEGCSA-N 0 0 320.385 3.430 20 10 DGCDRN CN(C)c1cccc(C(=O)Nc2c3nonc3ccc2Cl)c1 ZINC001321102985 1107249749 /nfs/dbraw/zinc/24/97/49/1107249749.db2.gz DDGGNQWFHPBBRO-UHFFFAOYSA-N 0 0 316.748 3.195 20 10 DGCDRN C/C=C/C[C@@H](NCc1ccc(N2CCCC2)cc1)C(=O)OCC ZINC001321148876 1107265724 /nfs/dbraw/zinc/26/57/24/1107265724.db2.gz ODSVVDOWVSGNEF-YWPBOTNQSA-N 0 0 316.445 3.274 20 10 DGCDRN CC[C@H](C)N(CC(=O)OC)Cc1ccc(N2CCCC2)cc1 ZINC001321186484 1107278498 /nfs/dbraw/zinc/27/84/98/1107278498.db2.gz BAIRUTMQNGQTSR-HNNXBMFYSA-N 0 0 304.434 3.060 20 10 DGCDRN CC[C@@H](C)N(CC(=O)OC)Cc1ccc(N2CCCC2)cc1 ZINC001321186485 1107279548 /nfs/dbraw/zinc/27/95/48/1107279548.db2.gz BAIRUTMQNGQTSR-OAHLLOKOSA-N 0 0 304.434 3.060 20 10 DGCDRN O=C(CSC(F)(F)F)Nc1c2nonc2ccc1Cl ZINC001321389383 1107338742 /nfs/dbraw/zinc/33/87/42/1107338742.db2.gz WUXZDXFKUZZJNM-UHFFFAOYSA-N 0 0 311.672 3.068 20 10 DGCDRN Cc1cccc(S(=O)(=O)Nc2ccc(O)c(C)c2C)c1C ZINC001260999054 1107339490 /nfs/dbraw/zinc/33/94/90/1107339490.db2.gz MXDTYFHXQYNUJQ-UHFFFAOYSA-N 0 0 305.399 3.427 20 10 DGCDRN C[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(Cl)c(F)c1 ZINC001321451046 1107351537 /nfs/dbraw/zinc/35/15/37/1107351537.db2.gz VPHQSQNEMXLUIG-MRVPVSSYSA-N 0 0 309.724 3.381 20 10 DGCDRN COc1ccc2c(c1)CCCN2C[C@@H](C)NC(=O)OC(C)(C)C ZINC001321690088 1107411690 /nfs/dbraw/zinc/41/16/90/1107411690.db2.gz ULDKCRXCVFJXMO-CYBMUJFWSA-N 0 0 320.433 3.361 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C2(CF)CCC2)cc1F ZINC001261498926 1107450137 /nfs/dbraw/zinc/45/01/37/1107450137.db2.gz VOZSFNHLLNDNFD-UHFFFAOYSA-N 0 0 310.388 3.428 20 10 DGCDRN Cc1cc(C(=O)N[C@H]2CCC[C@@H](F)C2)c(C)n1-c1ccccn1 ZINC001261499185 1107450367 /nfs/dbraw/zinc/45/03/67/1107450367.db2.gz DPJJFPWBAZSBPJ-CABCVRRESA-N 0 0 315.392 3.500 20 10 DGCDRN CO[C@H](C(=O)Nc1c2nonc2ccc1Cl)C1CCCCC1 ZINC001261779594 1107524812 /nfs/dbraw/zinc/52/48/12/1107524812.db2.gz RQTAJWSTEMDYAB-AWEZNQCLSA-N 0 0 323.780 3.410 20 10 DGCDRN CCC(F)(F)CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC001261788327 1107529453 /nfs/dbraw/zinc/52/94/53/1107529453.db2.gz SIWREPVAJOGSGU-UHFFFAOYSA-N 0 0 311.376 3.131 20 10 DGCDRN CS[C@H]1CCC[C@H](NC(=O)N[C@H](C)c2ccccc2O)C1 ZINC001261962509 1107565015 /nfs/dbraw/zinc/56/50/15/1107565015.db2.gz XCWBKRXPHIUHJO-AGIUHOORSA-N 0 0 308.447 3.427 20 10 DGCDRN COc1ccccc1C1(C(=O)NCc2ccccc2O)CCC1 ZINC001322290180 1107615445 /nfs/dbraw/zinc/61/54/45/1107615445.db2.gz ARSPATXRWNXEAU-UHFFFAOYSA-N 0 0 311.381 3.139 20 10 DGCDRN C[C@@H]1CCc2nc(CNCc3c(O)cccc3F)sc2C1 ZINC001262375371 1107704393 /nfs/dbraw/zinc/70/43/93/1107704393.db2.gz HLHHBMUNPPIFER-SNVBAGLBSA-N 0 0 306.406 3.402 20 10 DGCDRN C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NCc1ccc(N)cc1 ZINC001262603221 1107735236 /nfs/dbraw/zinc/73/52/36/1107735236.db2.gz BCXMJDDFOHZNLQ-MFKMUULPSA-N 0 0 315.339 3.141 20 10 DGCDRN Cc1cccc2c1C(=O)N[C@@H](c1ccc(N3CCCC3)cc1)N2 ZINC001317901754 1107739890 /nfs/dbraw/zinc/73/98/90/1107739890.db2.gz QXGSWMBQEFDNDQ-SFHVURJKSA-N 0 0 307.397 3.449 20 10 DGCDRN CCN1C(=O)C(=Cc2nc(-c3ccccc3)c[nH]2)SC1=S ZINC001318395586 1107980173 /nfs/dbraw/zinc/98/01/73/1107980173.db2.gz TYPAGHYBXMUTOB-XYOKQWHBSA-N 0 0 315.423 3.298 20 10 DGCDRN C[C@@H](Nc1cnn(Cc2cccnc2)c1)c1cc(F)ccc1O ZINC001323830740 1108098740 /nfs/dbraw/zinc/09/87/40/1108098740.db2.gz SSHNTSPGBNUCKO-GFCCVEGCSA-N 0 0 312.348 3.344 20 10 DGCDRN CCCCCCOCC(=O)Nc1c2nonc2ccc1Cl ZINC001324141872 1108187819 /nfs/dbraw/zinc/18/78/19/1108187819.db2.gz PBPUHCDNGZUWFJ-UHFFFAOYSA-N 0 0 311.769 3.412 20 10 DGCDRN CC(C)c1noc(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])n1 ZINC001324336544 1108255857 /nfs/dbraw/zinc/25/58/57/1108255857.db2.gz JIVDECVFIGFQGM-UHFFFAOYSA-N 0 0 313.760 3.023 20 10 DGCDRN Oc1cc(F)c(Cl)cc1CNc1ccc(-n2cncn2)cc1 ZINC001324338066 1108255980 /nfs/dbraw/zinc/25/59/80/1108255980.db2.gz YOUWVZBQGOXLCQ-UHFFFAOYSA-N 0 0 318.739 3.378 20 10 DGCDRN NC(=O)CCc1ccc(NCc2c(O)ccc(Cl)c2F)cc1 ZINC001324513169 1108323997 /nfs/dbraw/zinc/32/39/97/1108323997.db2.gz BXJUJEYDFLWTCA-UHFFFAOYSA-N 0 0 322.767 3.215 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCC[C@H]1CCc2ccccc21 ZINC001324511905 1108324412 /nfs/dbraw/zinc/32/44/12/1108324412.db2.gz AMHNZOHBARJAKX-CXSQMQJXSA-N 0 0 323.392 3.347 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cc(F)cc3ccncc32)cc1 ZINC001264262093 1108449594 /nfs/dbraw/zinc/44/95/94/1108449594.db2.gz RXKTZAYJENLCTI-UHFFFAOYSA-N 0 0 323.371 3.370 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1(C(F)F)CC1 ZINC001264287444 1108455330 /nfs/dbraw/zinc/45/53/30/1108455330.db2.gz YCCGLKKJRNZIOF-UHFFFAOYSA-N 0 0 308.372 3.291 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)c1ccccc1[N+](=O)[O-] ZINC001324859783 1108488546 /nfs/dbraw/zinc/48/85/46/1108488546.db2.gz XOAZCULIBDXLMN-UHFFFAOYSA-N 0 0 318.676 3.037 20 10 DGCDRN FC(F)COc1ccnc(CNC(=S)Nc2ccccc2)c1 ZINC001319878946 1108677028 /nfs/dbraw/zinc/67/70/28/1108677028.db2.gz OBYFDSRIQJPDIQ-UHFFFAOYSA-N 0 0 323.368 3.212 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@H]1C[C@@H]1C ZINC001290932208 1110263163 /nfs/dbraw/zinc/26/31/63/1110263163.db2.gz ZNNCOCMPJQFOFO-SWLSCSKDSA-N 0 0 310.397 3.292 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@@H]1C[C@H]1C ZINC001290932206 1110263229 /nfs/dbraw/zinc/26/32/29/1110263229.db2.gz ZNNCOCMPJQFOFO-DOMZBBRYSA-N 0 0 310.397 3.292 20 10 DGCDRN O=C(N[C@@H]1COc2ccccc2C1)c1ccccc1-n1cccc1 ZINC001290947189 1110264130 /nfs/dbraw/zinc/26/41/30/1110264130.db2.gz WLXCOYXDXJFXDM-INIZCTEOSA-N 0 0 318.376 3.211 20 10 DGCDRN CCOc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1Cl ZINC001291673512 1110273296 /nfs/dbraw/zinc/27/32/96/1110273296.db2.gz CRVVDRHUDJNZLX-UHFFFAOYSA-N 0 0 321.760 3.331 20 10 DGCDRN C[C@@H](NC(=O)Cc1cncc2ccccc21)c1ccccc1O ZINC001302532444 1111117224 /nfs/dbraw/zinc/11/72/24/1111117224.db2.gz CRACQKZVHOAHDQ-CYBMUJFWSA-N 0 0 306.365 3.360 20 10 DGCDRN C[C@H](NC(=O)/C=C\c1ccc2c(c1)OCO2)c1ccccc1O ZINC001302538489 1111117733 /nfs/dbraw/zinc/11/77/33/1111117733.db2.gz SIINHHXECCUURS-UPZNUWHASA-N 0 0 311.337 3.012 20 10 DGCDRN Cc1c(Cl)ccc2c1CN(C(=O)c1cccc(O)c1O)CC2 ZINC001302770740 1111125300 /nfs/dbraw/zinc/12/53/00/1111125300.db2.gz YATHDCAZERBYJR-UHFFFAOYSA-N 0 0 317.772 3.258 20 10 DGCDRN CCc1cccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1O ZINC001304253897 1111172712 /nfs/dbraw/zinc/17/27/12/1111172712.db2.gz HWAGXFAHYIRWFC-UHFFFAOYSA-N 0 0 312.329 3.369 20 10 DGCDRN Cc1nnc(N2CC[C@@H](C)C2)n1CCCSc1nccs1 ZINC001304817069 1111184428 /nfs/dbraw/zinc/18/44/28/1111184428.db2.gz ITBOQPWLDGBKAD-LLVKDONJSA-N 0 0 323.491 3.072 20 10 DGCDRN CCOCCNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001306933222 1111252086 /nfs/dbraw/zinc/25/20/86/1111252086.db2.gz CZAHDSBBXAOTSQ-UHFFFAOYSA-N 0 0 314.341 3.274 20 10 DGCDRN CSc1cc(N(C)Cc2ccccc2O)nc(SC)n1 ZINC001307073124 1111262449 /nfs/dbraw/zinc/26/24/49/1111262449.db2.gz PYWNEJLTZPEYMA-UHFFFAOYSA-N 0 0 307.444 3.262 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCCOc1ccccc1F ZINC001308187625 1111393129 /nfs/dbraw/zinc/39/31/29/1111393129.db2.gz WCWNWIWXOBJHOR-UHFFFAOYSA-N 0 0 311.303 3.368 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]Cc2c(F)cccc2Cl)c1 ZINC001308232588 1111402192 /nfs/dbraw/zinc/40/21/92/1111402192.db2.gz YMZWXGWLMIKTFT-UHFFFAOYSA-N 0 0 310.712 3.383 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1noc2ccc(F)cc12 ZINC001308494108 1111434849 /nfs/dbraw/zinc/43/48/49/1111434849.db2.gz FWHAVLMQCNJHQM-UHFFFAOYSA-N 0 0 308.259 3.241 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC001308511132 1111436849 /nfs/dbraw/zinc/43/68/49/1111436849.db2.gz KHPHKCSMKPLTFB-LAUQKZGBSA-N 0 0 321.779 3.325 20 10 DGCDRN C[N@H+](CCOc1ccc(F)cc1)Cc1cc(F)cc(F)c1[O-] ZINC001308652804 1111455786 /nfs/dbraw/zinc/45/57/86/1111455786.db2.gz FJBFWPCVOOHNEK-UHFFFAOYSA-N 0 0 311.303 3.320 20 10 DGCDRN CN(C)c1c(CN(C)c2ccc3c(c2)OCO3)ccc(F)c1F ZINC001308677589 1111459850 /nfs/dbraw/zinc/45/98/50/1111459850.db2.gz OGTLWNZNYXYZJM-UHFFFAOYSA-N 0 0 320.339 3.396 20 10 DGCDRN CCOC(=O)c1cc(NCc2ccc(Cl)cc2O)cn1C ZINC001308743838 1111469461 /nfs/dbraw/zinc/46/94/61/1111469461.db2.gz NMLAMSSPUPOUCI-UHFFFAOYSA-N 0 0 308.765 3.173 20 10 DGCDRN CCOC(=O)[C@@H](CC1CC1)NCc1cc(Cl)c(C)cc1O ZINC001308927621 1111495204 /nfs/dbraw/zinc/49/52/04/1111495204.db2.gz KCEYLCJJDPIFLF-CQSZACIVSA-N 0 0 311.809 3.175 20 10 DGCDRN CC1(C)CO[C@@H](CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001308937660 1111496377 /nfs/dbraw/zinc/49/63/77/1111496377.db2.gz UXBDJKIGTCSTAO-NSHDSACASA-N 0 0 301.789 3.480 20 10 DGCDRN C[C@@H]1CC[C@](CO)([NH2+]Cc2cccc(F)c2[O-])c2ccccc21 ZINC001308984019 1111505149 /nfs/dbraw/zinc/50/51/49/1111505149.db2.gz DOYHUCWORPQPMB-BFUOFWGJSA-N 0 0 315.388 3.406 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)Nc1cnc2ccccn12 ZINC001310974025 1111577353 /nfs/dbraw/zinc/57/73/53/1111577353.db2.gz FHNPUCCGBKVUIW-UHFFFAOYSA-N 0 0 316.748 3.015 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)Nc1ccc2nccn2c1 ZINC001311027995 1111579648 /nfs/dbraw/zinc/57/96/48/1111579648.db2.gz YVHSEXHBOHXDJG-UHFFFAOYSA-N 0 0 316.748 3.015 20 10 DGCDRN C=Cc1ccccc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC001311110751 1111584591 /nfs/dbraw/zinc/58/45/91/1111584591.db2.gz IQGVHBNSBVFAOO-GFCCVEGCSA-N 0 0 312.369 3.494 20 10 DGCDRN Cc1c(NC(=O)NCc2c(O)cccc2F)noc1C(C)(C)C ZINC001311136659 1111585652 /nfs/dbraw/zinc/58/56/52/1111585652.db2.gz UQOXUKKTJGPDAW-UHFFFAOYSA-N 0 0 321.352 3.447 20 10 DGCDRN CN(C)c1cc(NC(=O)NCc2ccccc2O)ccc1Cl ZINC001311225267 1111590768 /nfs/dbraw/zinc/59/07/68/1111590768.db2.gz SMGYCXUXLIBMMS-UHFFFAOYSA-N 0 0 319.792 3.433 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H](C)[C@@H]2CCC[C@H](C)C2)c(O)c1 ZINC001312874548 1111679128 /nfs/dbraw/zinc/67/91/28/1111679128.db2.gz UABUTYXTCCNAHD-MELADBBJSA-N 0 0 320.433 3.415 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC(C)(C)C1CC1 ZINC001312885942 1111679860 /nfs/dbraw/zinc/67/98/60/1111679860.db2.gz RCTHJDRDBLQYRK-AWEZNQCLSA-N 0 0 317.477 3.480 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@@H]1C[C@H]1c1ccccc1Cl ZINC001313022527 1111688281 /nfs/dbraw/zinc/68/82/81/1111688281.db2.gz QFCTWDQSKVTRCT-DZGCQCFKSA-N 0 0 316.788 3.401 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001313062131 1111691752 /nfs/dbraw/zinc/69/17/52/1111691752.db2.gz DSAGPMGUMCSUSK-WZRBSPASSA-N 0 0 308.809 3.281 20 10 DGCDRN CSC(C)(C)Cn1c(C)nnc1N(C)Cc1ccccc1O ZINC001316364965 1111753335 /nfs/dbraw/zinc/75/33/35/1111753335.db2.gz KYSSMRHFXXMNBZ-UHFFFAOYSA-N 0 0 320.462 3.070 20 10 DGCDRN CCc1cc(C(=O)NCc2c(C)c3ccccc3n2C)cc(=O)[nH]1 ZINC000352125922 529518037 /nfs/dbraw/zinc/51/80/37/529518037.db2.gz NXHPCIMGXCHFEW-UHFFFAOYSA-N 0 0 323.396 3.080 20 10 DGCDRN CCc1cnccc1C(=O)NCc1c(C)c2ccccc2n1C ZINC000348661634 529670700 /nfs/dbraw/zinc/67/07/00/529670700.db2.gz OZCXSRSOJNNRPC-UHFFFAOYSA-N 0 0 307.397 3.374 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C(C)(C)C1CCC1 ZINC000410530673 529785856 /nfs/dbraw/zinc/78/58/56/529785856.db2.gz BYXYATDUKHMAMX-UHFFFAOYSA-N 0 0 302.418 3.304 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc2ccccc2[nH]1 ZINC000173188910 529786159 /nfs/dbraw/zinc/78/61/59/529786159.db2.gz AENGTVQMHRSYIP-UHFFFAOYSA-N 0 0 321.380 3.273 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCc1c(C)noc1C ZINC000066701537 432019954 /nfs/dbraw/zinc/01/99/54/432019954.db2.gz BEZVTCRWKJIIPA-UHFFFAOYSA-N 0 0 317.389 3.119 20 10 DGCDRN CC(C)N(C)c1ccc(NC(=O)Cc2ccc(N)cc2)cc1F ZINC000236690795 201967572 /nfs/dbraw/zinc/96/75/72/201967572.db2.gz BUZNMUKGBVSKKI-UHFFFAOYSA-N 0 0 315.392 3.434 20 10 DGCDRN Cc1cc(NC(=O)NCc2ccc(N3CCCC3)cc2)ccn1 ZINC000179803837 432071441 /nfs/dbraw/zinc/07/14/41/432071441.db2.gz GGLKEKYKWSGLSY-UHFFFAOYSA-N 0 0 310.401 3.312 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(Cl)cn1C ZINC000170732149 283297484 /nfs/dbraw/zinc/29/74/84/283297484.db2.gz HSBSFSRABIGZLC-UHFFFAOYSA-N 0 0 306.793 3.437 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cccc(F)c1F ZINC000170667528 432076437 /nfs/dbraw/zinc/07/64/37/432076437.db2.gz KWFDDTMXIBQRLI-UHFFFAOYSA-N 0 0 316.351 3.495 20 10 DGCDRN CCCNC(=O)C[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000286795426 283371339 /nfs/dbraw/zinc/37/13/39/283371339.db2.gz AAYYNMZSVDRBKP-LBPRGKRZSA-N 0 0 319.232 3.266 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1[O-] ZINC000170789512 432081895 /nfs/dbraw/zinc/08/18/95/432081895.db2.gz ACJQWNXEHUPMRA-WDEREUQCSA-N 0 0 320.330 3.066 20 10 DGCDRN C[C@@H](NCc1ncc(C(F)(F)F)cn1)c1ccc(N(C)C)cc1 ZINC000296584774 296136087 /nfs/dbraw/zinc/13/60/87/296136087.db2.gz UPZQEZGNQPVYKB-LLVKDONJSA-N 0 0 324.350 3.412 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H](C2CC2)C1 ZINC000472224454 244288352 /nfs/dbraw/zinc/28/83/52/244288352.db2.gz QDRCOGLEVJQINU-OAHLLOKOSA-N 0 0 311.429 3.428 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000472234993 244290710 /nfs/dbraw/zinc/29/07/10/244290710.db2.gz ZLMSCPLYZKZALX-HUUCEWRRSA-N 0 0 311.429 3.428 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cc1ccc(C)c(O)c1 ZINC000473273968 244329895 /nfs/dbraw/zinc/32/98/95/244329895.db2.gz YWSMQHAKVIVIPY-UHFFFAOYSA-N 0 0 322.408 3.360 20 10 DGCDRN C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093482716 193257896 /nfs/dbraw/zinc/25/78/96/193257896.db2.gz SLONEWKVEHVKPV-SKDRFNHKSA-N 0 0 304.217 3.434 20 10 DGCDRN CCOc1cccc(CN2CCOC[C@H]2c2ccc(C)o2)c1O ZINC000093459818 193254912 /nfs/dbraw/zinc/25/49/12/193254912.db2.gz RHHWDQIHDBOKOI-HNNXBMFYSA-N 0 0 317.385 3.266 20 10 DGCDRN COc1ncc(Cl)c(N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000302421823 533217774 /nfs/dbraw/zinc/21/77/74/533217774.db2.gz OIEPLGXGHRPRRX-SNVBAGLBSA-N 0 0 306.797 3.378 20 10 DGCDRN C[C@@H](N[C@H](C)c1ccc(N2CCCCC2)cc1)c1ncnn1C ZINC000276539327 533533791 /nfs/dbraw/zinc/53/37/91/533533791.db2.gz DIOSSHGKDBYAFR-HUUCEWRRSA-N 0 0 313.449 3.217 20 10 DGCDRN COCC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccc(C)o1 ZINC000272240537 130012344 /nfs/dbraw/zinc/01/23/44/130012344.db2.gz GWHSDQGEXYNKBE-CQSZACIVSA-N 0 0 320.345 3.069 20 10 DGCDRN CCCCCN(CCCOC)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000273003876 130081155 /nfs/dbraw/zinc/08/11/55/130081155.db2.gz PAANQKDUVZNOKI-CSKARUKUSA-N 0 0 321.417 3.166 20 10 DGCDRN COCC[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000273338406 130107690 /nfs/dbraw/zinc/10/76/90/130107690.db2.gz ABINMPQZPMSRNN-UHFFFAOYSA-N 0 0 301.386 3.049 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cccc(OC)c2)c1 ZINC000273441351 130122564 /nfs/dbraw/zinc/12/25/64/130122564.db2.gz YPHYATCKQOEUMV-GFCCVEGCSA-N 0 0 315.369 3.038 20 10 DGCDRN Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273496185 130128828 /nfs/dbraw/zinc/12/88/28/130128828.db2.gz PEJVTMLHTUZNDV-ZJUUUORDSA-N 0 0 319.361 3.360 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCCCSC)c1 ZINC000274779455 130261398 /nfs/dbraw/zinc/26/13/98/130261398.db2.gz KHLYLUNYNXIGBS-GFCCVEGCSA-N 0 0 311.447 3.363 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccncc1C ZINC000274929741 130275279 /nfs/dbraw/zinc/27/52/79/130275279.db2.gz CQMIMBASPPMIAH-UHFFFAOYSA-N 0 0 311.429 3.047 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C=Cc1c[nH]cn1 ZINC000276778831 130545067 /nfs/dbraw/zinc/54/50/67/130545067.db2.gz ZBVQFCQPXKZJHZ-JXMROGBWSA-N 0 0 324.428 3.072 20 10 DGCDRN CC[C@@](C)(C[NH2+]Cc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000277998129 130655450 /nfs/dbraw/zinc/65/54/50/130655450.db2.gz NYLBVDWSEZISOF-SFHVURJKSA-N 0 0 304.434 3.267 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000280856989 130821245 /nfs/dbraw/zinc/82/12/45/130821245.db2.gz ARXYZHOSLISNHA-KOMQPUFPSA-N 0 0 314.360 3.277 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CCCC[C@@H]1O ZINC000280949119 130828048 /nfs/dbraw/zinc/82/80/48/130828048.db2.gz MDIHWWQIIYKFQQ-AEFFLSMTSA-N 0 0 318.461 3.042 20 10 DGCDRN CSCC(C)(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000281762838 130883236 /nfs/dbraw/zinc/88/32/36/130883236.db2.gz CJQGWBUBYJHTHO-UHFFFAOYSA-N 0 0 306.475 3.074 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@H](C)SC ZINC000282690324 130935698 /nfs/dbraw/zinc/93/56/98/130935698.db2.gz ANTKKURTCQWZQU-ZDUSSCGKSA-N 0 0 310.463 3.455 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)CCCc2nccs2)cc1 ZINC000282947566 130947569 /nfs/dbraw/zinc/94/75/69/130947569.db2.gz KSVSTNIQFSXVPC-UHFFFAOYSA-N 0 0 317.458 3.190 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)[C@H]1CCOC1 ZINC000283549352 131002646 /nfs/dbraw/zinc/00/26/46/131002646.db2.gz DTSJVWSMZZDFMZ-ZBFHGGJFSA-N 0 0 320.433 3.129 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)N3CCCCO3)cc2)CC1 ZINC000283629149 131008989 /nfs/dbraw/zinc/00/89/89/131008989.db2.gz HYKKGUDLBIHWQV-UHFFFAOYSA-N 0 0 317.433 3.160 20 10 DGCDRN Nc1ccc(CC(=O)N2CCCCC[C@@H]2c2ccncc2)cc1 ZINC000286071780 131217766 /nfs/dbraw/zinc/21/77/66/131217766.db2.gz MIBJFHPOMUASRY-GOSISDBHSA-N 0 0 309.413 3.350 20 10 DGCDRN CC[C@@H]([NH2+]CCCOC1CCOCC1)c1ccc(F)cc1[O-] ZINC000286091890 131219305 /nfs/dbraw/zinc/21/93/05/131219305.db2.gz MCDQHIDHZCMUSP-MRXNPFEDSA-N 0 0 311.397 3.158 20 10 DGCDRN Cc1cc(C(=O)N(C)[C@@H]2CCC[C@H]2O)c(C)n1-c1ccccc1 ZINC000286517907 131238848 /nfs/dbraw/zinc/23/88/48/131238848.db2.gz XESDDUVODDUTQR-QZTJIDSGSA-N 0 0 312.413 3.080 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)c2nnc(C)[nH]2)c(C)n1-c1ccccc1 ZINC000286546073 131240716 /nfs/dbraw/zinc/24/07/16/131240716.db2.gz ZTXOYEABUVSGQI-LBPRGKRZSA-N 0 0 323.400 3.012 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCC1=CCCOC1 ZINC000288157012 131314635 /nfs/dbraw/zinc/31/46/35/131314635.db2.gz YNDIMHUQPFPQMW-UHFFFAOYSA-N 0 0 316.426 3.232 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)[C@@H]1CCC[C@H]1O ZINC000288410724 131323321 /nfs/dbraw/zinc/32/33/21/131323321.db2.gz LQKDYLMUPJONAN-UKRRQHHQSA-N 0 0 318.442 3.141 20 10 DGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@H]2CCCSC2)c1[O-] ZINC000288432690 131325093 /nfs/dbraw/zinc/32/50/93/131325093.db2.gz LDBKUIXXOVYOCZ-SECBINFHSA-N 0 0 316.810 3.187 20 10 DGCDRN CN(Cc1cccs1)c1ccc(CNc2ncn(C)n2)cc1 ZINC000296017666 131935427 /nfs/dbraw/zinc/93/54/27/131935427.db2.gz PGFKHHZLTRQHKY-UHFFFAOYSA-N 0 0 313.430 3.125 20 10 DGCDRN CC(C)(C)n1nc(C(=O)NCc2ccc(N)cc2)cc1C1CC1 ZINC000297260703 132006094 /nfs/dbraw/zinc/00/60/94/132006094.db2.gz RORRKXLBNLPHPK-UHFFFAOYSA-N 0 0 312.417 3.028 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NOCC1CC1 ZINC000297343294 132011553 /nfs/dbraw/zinc/01/15/53/132011553.db2.gz NKUHHWULCQTAGA-UHFFFAOYSA-N 0 0 305.422 3.014 20 10 DGCDRN Cc1ncsc1CCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000298174829 132048608 /nfs/dbraw/zinc/04/86/08/132048608.db2.gz RAKMGKFQVDYYLT-UHFFFAOYSA-N 0 0 317.458 3.109 20 10 DGCDRN CC(C)c1noc(CN(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000298718264 132074535 /nfs/dbraw/zinc/07/45/35/132074535.db2.gz MXPQDIJUNMLBET-UHFFFAOYSA-N 0 0 314.433 3.424 20 10 DGCDRN Cc1cc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)no1 ZINC000298863572 132080712 /nfs/dbraw/zinc/08/07/12/132080712.db2.gz TZIMADHDPFCYSU-UHFFFAOYSA-N 0 0 314.389 3.246 20 10 DGCDRN Cc1ncc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)s1 ZINC000299522414 132109587 /nfs/dbraw/zinc/10/95/87/132109587.db2.gz OSLWTGNMTIRKKM-UHFFFAOYSA-N 0 0 315.442 3.322 20 10 DGCDRN CC(C)(C)n1nc(C(=O)NCc2ccccc2O)cc1C1CC1 ZINC000299567862 132111581 /nfs/dbraw/zinc/11/15/81/132111581.db2.gz OXBVIAQZEDUMES-UHFFFAOYSA-N 0 0 313.401 3.151 20 10 DGCDRN CC(C)[C@@H](C)CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000067902068 400213786 /nfs/dbraw/zinc/21/37/86/400213786.db2.gz ZEDBSBQJKMAGKI-INIZCTEOSA-N 0 0 318.461 3.164 20 10 DGCDRN COC(=O)c1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000047192433 400603353 /nfs/dbraw/zinc/60/33/53/400603353.db2.gz HWAGVQJZAAMEEK-UHFFFAOYSA-N 0 0 324.380 3.326 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000076987826 400684230 /nfs/dbraw/zinc/68/42/30/400684230.db2.gz DCEZDGJIKJTLLM-KRWDZBQOSA-N 0 0 310.397 3.213 20 10 DGCDRN Cc1nnc(NCc2ccc(N3CCSCC3)cc2)s1 ZINC000077489023 400720879 /nfs/dbraw/zinc/72/08/79/400720879.db2.gz UQPRFDLNNNKXPJ-UHFFFAOYSA-N 0 0 306.460 3.012 20 10 DGCDRN Cc1cn2nc(NCc3c(O)ccc4c3CCCC4)sc2n1 ZINC000078464034 400801065 /nfs/dbraw/zinc/80/10/65/400801065.db2.gz UHTFQXZNFLKBFY-UHFFFAOYSA-N 0 0 314.414 3.296 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)C3(C)CCCC3)CC2)cc1 ZINC000079180398 400850756 /nfs/dbraw/zinc/85/07/56/400850756.db2.gz IADDWDWOUVOGPL-UHFFFAOYSA-N 0 0 316.445 3.314 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)c3ccccc3)CC2)cc1 ZINC000055877528 400898257 /nfs/dbraw/zinc/89/82/57/400898257.db2.gz MEGSNTDKLDYZKP-UHFFFAOYSA-N 0 0 310.397 3.048 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)CCC(C)C)CC2)cc1 ZINC000055877964 400898346 /nfs/dbraw/zinc/89/83/46/400898346.db2.gz DPOAEVDGEDLGQJ-UHFFFAOYSA-N 0 0 304.434 3.170 20 10 DGCDRN Cc1ccccc1NCCC(=O)NCc1ccc(N(C)C)cc1 ZINC000198264031 400930312 /nfs/dbraw/zinc/93/03/12/400930312.db2.gz LZEWFHNILZSDQS-UHFFFAOYSA-N 0 0 311.429 3.179 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)Cc2nccn2C)cc1 ZINC000061072128 401145456 /nfs/dbraw/zinc/14/54/56/401145456.db2.gz GJOOWYSAPMLVJY-UHFFFAOYSA-N 0 0 322.412 3.100 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)CCc2cccs2)cc1 ZINC000060678829 401132598 /nfs/dbraw/zinc/13/25/98/401132598.db2.gz RMQJYJRHWKCZDV-UHFFFAOYSA-N 0 0 302.443 3.405 20 10 DGCDRN O=C1[C@H](Sc2nccs2)CCCN1Cc1ccccc1 ZINC000089685410 401235961 /nfs/dbraw/zinc/23/59/61/401235961.db2.gz AEUQLDOTIYTYPJ-CYBMUJFWSA-N 0 0 304.440 3.426 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1csc(COC)n1 ZINC000066097131 401292274 /nfs/dbraw/zinc/29/22/74/401292274.db2.gz KHMADFSWZNSIHY-UHFFFAOYSA-N 0 0 320.414 3.048 20 10 DGCDRN Cc1ccc([C@@H]2CCN(C(=O)c3cccc(O)c3O)C2)c(C)c1 ZINC000280158206 292218253 /nfs/dbraw/zinc/21/82/53/292218253.db2.gz UPPQHRJOCJFAIY-CQSZACIVSA-N 0 0 311.381 3.344 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)C(C)(C)c1cccc(F)c1 ZINC000136940943 432166466 /nfs/dbraw/zinc/16/64/66/432166466.db2.gz KHALVFDYRDVVOR-UHFFFAOYSA-N 0 0 301.361 3.468 20 10 DGCDRN Cc1nnc(-c2cccc(NCc3ccc(N(C)C)cc3)c2)n1C ZINC000269480495 432178323 /nfs/dbraw/zinc/17/83/23/432178323.db2.gz FOFVKIAJQOJCDI-UHFFFAOYSA-N 0 0 321.428 3.469 20 10 DGCDRN CCNC(=O)c1ccc(NCc2ccc(N3CCCC3)cc2)nc1 ZINC000171973293 432187330 /nfs/dbraw/zinc/18/73/30/432187330.db2.gz CVLGIKKQLFAICE-UHFFFAOYSA-N 0 0 324.428 3.044 20 10 DGCDRN Clc1cccc(NCc2ccc(N3CCOCC3)cc2)n1 ZINC000149783567 432188405 /nfs/dbraw/zinc/18/84/05/432188405.db2.gz MXAXGFYNSNBQGO-UHFFFAOYSA-N 0 0 303.793 3.184 20 10 DGCDRN C/C(=C\C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1CC1 ZINC000172229711 432203464 /nfs/dbraw/zinc/20/34/64/432203464.db2.gz DULCRNRYVJGRAP-GWKQRERASA-N 0 0 315.413 3.256 20 10 DGCDRN COCCn1cc(NCc2ccc(N3CCCCC3)cc2)cn1 ZINC000122343592 226976053 /nfs/dbraw/zinc/97/60/53/226976053.db2.gz JQFUIIMUHZLJBJ-UHFFFAOYSA-N 0 0 314.433 3.132 20 10 DGCDRN COc1cc(NCc2ccc(N(C)C)cc2)ccc1[N+](=O)[O-] ZINC000301331500 228894890 /nfs/dbraw/zinc/89/48/90/228894890.db2.gz BDHVIQSUKIWXGB-UHFFFAOYSA-N 0 0 301.346 3.282 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc2cc[nH]c2n1 ZINC000352124601 229243699 /nfs/dbraw/zinc/24/36/99/229243699.db2.gz YNMUMTODDNPHNY-UHFFFAOYSA-N 0 0 318.380 3.293 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1C[C@H]1c1ccco1 ZINC000413514874 230250198 /nfs/dbraw/zinc/25/01/98/230250198.db2.gz ZLEQTQBEZAWDIP-HUUCEWRRSA-N 0 0 323.396 3.435 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCn3cccc3[C@@H]2C)c1O ZINC000177236868 277105973 /nfs/dbraw/zinc/10/59/73/277105973.db2.gz JHADCXPTKPDIRQ-NSHDSACASA-N 0 0 302.349 3.112 20 10 DGCDRN CO[C@H]1Cc2ccccc2N(C(=O)/C=C/c2cncc(C)c2)C1 ZINC000283199373 277765626 /nfs/dbraw/zinc/76/56/26/277765626.db2.gz GIIXMBMBVIJUKM-OZSKJFCKSA-N 0 0 308.381 3.008 20 10 DGCDRN CC[C@H]([NH2+]C1CCN(CCCOC)CC1)c1ccc(F)cc1[O-] ZINC000285951536 288035247 /nfs/dbraw/zinc/03/52/47/288035247.db2.gz GEPRXEDPXZRUEC-KRWDZBQOSA-N 0 0 324.440 3.073 20 10 DGCDRN CC[C@H]([NH2+]CCOCCOC)c1cc(Cl)cc(Cl)c1[O-] ZINC000287531039 288042210 /nfs/dbraw/zinc/04/22/10/288042210.db2.gz DPZHVYCUVCGXCO-ZDUSSCGKSA-N 0 0 322.232 3.403 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cccc(Cl)c1[O-] ZINC000367567673 288072630 /nfs/dbraw/zinc/07/26/30/288072630.db2.gz UZJORKSKAPNKGF-RISCZKNCSA-N 0 0 305.809 3.367 20 10 DGCDRN CS[C@@H](C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108295538 431133403 /nfs/dbraw/zinc/13/34/03/431133403.db2.gz KKLXVCCJNMQUQK-AWEZNQCLSA-N 0 0 306.475 3.291 20 10 DGCDRN CN1C(=O)/C(=C/c2ccc(OC(F)F)cc2)SC1=S ZINC000001129622 431216690 /nfs/dbraw/zinc/21/66/90/431216690.db2.gz PARGYFRAUPQJOJ-TWGQIWQCSA-N 0 0 301.339 3.119 20 10 DGCDRN C[C@@H]1CC[C@@H](CCC(=O)NCc2c(O)ccc3c2CCCC3)O1 ZINC000075159606 431458432 /nfs/dbraw/zinc/45/84/32/431458432.db2.gz QCICMDZXTBELEE-HIFRSBDPSA-N 0 0 317.429 3.235 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)[C@@H]1CCOC1 ZINC000119981044 431722428 /nfs/dbraw/zinc/72/24/28/431722428.db2.gz ZRCFATYDDZZEDU-UONOGXRCSA-N 0 0 318.442 3.310 20 10 DGCDRN COc1ccc(N2CCN(C(=O)c3cc(C)cs3)CC2)cc1 ZINC000082320286 431803840 /nfs/dbraw/zinc/80/38/40/431803840.db2.gz FXGCENWJIPFJPS-UHFFFAOYSA-N 0 0 316.426 3.028 20 10 DGCDRN CN(C)c1ccc(CNc2nnc(C(F)(F)F)s2)cc1 ZINC000121587596 431803707 /nfs/dbraw/zinc/80/37/07/431803707.db2.gz VLLVVZXSPBJBCI-UHFFFAOYSA-N 0 0 302.325 3.235 20 10 DGCDRN COc1ccc(N(C)Cc2cccc(C(=O)N(C)C)c2)cc1F ZINC000121706675 431804756 /nfs/dbraw/zinc/80/47/56/431804756.db2.gz NLVTVEALOBRNNV-UHFFFAOYSA-N 0 0 316.376 3.173 20 10 DGCDRN CCN(C)c1ccc([C@@H](C)N[C@H](C(N)=O)c2ccccc2)cc1 ZINC000125996650 431940324 /nfs/dbraw/zinc/94/03/24/431940324.db2.gz LMILMFWHGZNEJL-KDOFPFPSSA-N 0 0 311.429 3.020 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1CCc2cc(F)ccc21 ZINC000056840910 431989379 /nfs/dbraw/zinc/98/93/79/431989379.db2.gz SDQOIIGDEGZDLC-INIZCTEOSA-N 0 0 314.360 3.360 20 10 DGCDRN CO[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000183247944 432274222 /nfs/dbraw/zinc/27/42/22/432274222.db2.gz GEIIFPPOSGRCOX-LJQANCHMSA-N 0 0 324.424 3.291 20 10 DGCDRN CCC[C@H](C)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000248271600 432277599 /nfs/dbraw/zinc/27/75/99/432277599.db2.gz QGEBKGVEJRGEGO-HOCLYGCPSA-N 0 0 305.418 3.336 20 10 DGCDRN Cc1cc(O)ccc1NS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000151873906 432284544 /nfs/dbraw/zinc/28/45/44/432284544.db2.gz VFLSFXRUIRUKFM-UHFFFAOYSA-N 0 0 317.410 3.380 20 10 DGCDRN CCc1ccsc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183467480 432296213 /nfs/dbraw/zinc/29/62/13/432296213.db2.gz GROHDAGDOIPWDC-SNVBAGLBSA-N 0 0 305.399 3.083 20 10 DGCDRN Cn1ccc(/C=C2\SC(=S)N(C(C3CC3)C3CC3)C2=O)c1 ZINC000270585538 432262640 /nfs/dbraw/zinc/26/26/40/432262640.db2.gz GUGSCSFZQQNBIK-JYRVWZFOSA-N 0 0 318.467 3.415 20 10 DGCDRN C[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)c1cccs1 ZINC000173194178 432263627 /nfs/dbraw/zinc/26/36/27/432263627.db2.gz XZRSZRJPDSAVLR-LBPRGKRZSA-N 0 0 316.426 3.343 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cccc([C@H]2CCOC2)c1 ZINC000270629327 432267303 /nfs/dbraw/zinc/26/73/03/432267303.db2.gz IEQUGFYQMGJWRY-KRWDZBQOSA-N 0 0 311.381 3.168 20 10 DGCDRN Cc1nc(N2CCOCC2)ccc1N[C@H](C)c1ccccc1O ZINC000183705461 432317867 /nfs/dbraw/zinc/31/78/67/432317867.db2.gz QIOLUIANDCONHU-CYBMUJFWSA-N 0 0 313.401 3.105 20 10 DGCDRN CC(C)[N@H+](Cc1cnc2cnccn12)Cc1ccc(N(C)C)cc1 ZINC000271097179 432328761 /nfs/dbraw/zinc/32/87/61/432328761.db2.gz ZWBOHBCSESQACY-UHFFFAOYSA-N 0 0 323.444 3.206 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@](C)(O)C1 ZINC000152504899 432337269 /nfs/dbraw/zinc/33/72/69/432337269.db2.gz XDSSYXKOXLDYMB-KRWDZBQOSA-N 0 0 318.442 3.143 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000192650602 432396386 /nfs/dbraw/zinc/39/63/86/432396386.db2.gz APWVOUJQMONQJU-PRHODGIISA-N 0 0 317.216 3.018 20 10 DGCDRN CCOCc1cc(CN[C@@H](CCO)c2ccco2)ccc1OC ZINC000184500092 432397831 /nfs/dbraw/zinc/39/78/31/432397831.db2.gz CWGRBTAOONYQEI-INIZCTEOSA-N 0 0 319.401 3.038 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C2(c3cccc(F)c3)CC2)c1 ZINC000152860693 432364102 /nfs/dbraw/zinc/36/41/02/432364102.db2.gz IKEJZADMHPKRBG-UHFFFAOYSA-N 0 0 302.305 3.218 20 10 DGCDRN C[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192927470 432431102 /nfs/dbraw/zinc/43/11/02/432431102.db2.gz MNBXYAFRWKAIPN-OQPBUACISA-N 0 0 322.257 3.218 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000175507416 432442958 /nfs/dbraw/zinc/44/29/58/432442958.db2.gz APTAPWISFQDQSR-YLJYHZDGSA-N 0 0 307.393 3.255 20 10 DGCDRN C[C@@H](NC(=O)c1cccc(O)c1O)c1ncc(-c2ccccc2)o1 ZINC000193084874 432447464 /nfs/dbraw/zinc/44/74/64/432447464.db2.gz OCPVXBXAZPSBSC-LLVKDONJSA-N 0 0 324.336 3.244 20 10 DGCDRN Cc1c(/C=C\C(=O)N2CCCSc3ccccc32)cnn1C ZINC000255052161 432407821 /nfs/dbraw/zinc/40/78/21/432407821.db2.gz IZEMTKQWGGDIBY-HJWRWDBZSA-N 0 0 313.426 3.271 20 10 DGCDRN Cc1cncc(/C=C\C(=O)N2C[C@@H](C)C(=O)Nc3ccccc32)c1 ZINC000255092962 432408273 /nfs/dbraw/zinc/40/82/73/432408273.db2.gz ZVTOWBKICIJPDH-WBTMPAOCSA-N 0 0 321.380 3.025 20 10 DGCDRN Cc1cc(C(=O)N2C[C@@H]3CCC[C@@H]3C2)c(C)n1-c1ccccn1 ZINC000153952373 432458555 /nfs/dbraw/zinc/45/85/55/432458555.db2.gz HHKJNOQAUMNCOD-IYBDPMFKSA-N 0 0 309.413 3.361 20 10 DGCDRN COc1ccc(N2CCN(C(=O)c3cscc3C)CC2)cc1 ZINC000175261677 432417335 /nfs/dbraw/zinc/41/73/35/432417335.db2.gz PTPHQALPTGNVHU-UHFFFAOYSA-N 0 0 316.426 3.028 20 10 DGCDRN C[C@@H](N[C@@H](CO)c1c(F)cccc1F)c1ccc(N(C)C)cc1 ZINC000271545058 432420827 /nfs/dbraw/zinc/42/08/27/432420827.db2.gz ZAFUPCLDCVDECW-PXAZEXFGSA-N 0 0 320.383 3.415 20 10 DGCDRN C[C@@H](N[C@H](CO)c1c(F)cccc1F)c1ccc(N(C)C)cc1 ZINC000271545066 432421053 /nfs/dbraw/zinc/42/10/53/432421053.db2.gz ZAFUPCLDCVDECW-SJKOYZFVSA-N 0 0 320.383 3.415 20 10 DGCDRN CCn1ncnc1CN(c1ccc(OC)cc1)[C@@H](C)C1CC1 ZINC000193426277 432471900 /nfs/dbraw/zinc/47/19/00/432471900.db2.gz BDBUTVHWXLTVAL-ZDUSSCGKSA-N 0 0 300.406 3.112 20 10 DGCDRN Nc1ccc(CC(=O)N2CCC(OCc3ccccc3)CC2)cc1 ZINC000262620658 432494161 /nfs/dbraw/zinc/49/41/61/432494161.db2.gz IBMSBTPEZQJTRY-UHFFFAOYSA-N 0 0 324.424 3.019 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)c2nc[nH]n2)c(C)n1-c1cccc(C)c1 ZINC000176210632 432501169 /nfs/dbraw/zinc/50/11/69/432501169.db2.gz XPQKEZRDYVFNCV-ZDUSSCGKSA-N 0 0 323.400 3.012 20 10 DGCDRN Nc1ccc([N+](=O)[O-])c(NCc2ccc(N3CCCC3)cc2)c1 ZINC000193384902 432470318 /nfs/dbraw/zinc/47/03/18/432470318.db2.gz KNLWLLKXBAHCTJ-UHFFFAOYSA-N 0 0 312.373 3.389 20 10 DGCDRN COc1ccc(N2CCN(C(=O)C[C@H]3C=CCCC3)CC2)cc1 ZINC000186058467 432556492 /nfs/dbraw/zinc/55/64/92/432556492.db2.gz SOEPXTDTIHLGRJ-INIZCTEOSA-N 0 0 314.429 3.090 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cc[nH]c2C)cc1F ZINC000176357919 432514487 /nfs/dbraw/zinc/51/44/87/432514487.db2.gz LBHRIAFPPQFTMT-UHFFFAOYSA-N 0 0 303.381 3.238 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCSC1)c1cc(Br)ccc1O ZINC000273519046 432606932 /nfs/dbraw/zinc/60/69/32/432606932.db2.gz SYZUOHXQHNSUMS-WPRPVWTQSA-N 0 0 302.237 3.311 20 10 DGCDRN C[C@@H]([NH2+]CC1(C)OCCO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000186212101 432570132 /nfs/dbraw/zinc/57/01/32/432570132.db2.gz PQGZXZCMVNOJQW-MRVPVSSYSA-N 0 0 306.189 3.113 20 10 DGCDRN Cc1ccc(O)c([C@@H](C)Nc2ccc3c(c2)N(C)C(=O)CO3)c1 ZINC000186326124 432583408 /nfs/dbraw/zinc/58/34/08/432583408.db2.gz CCWGWKZGXUAFLN-GFCCVEGCSA-N 0 0 312.369 3.229 20 10 DGCDRN C[C@H](N[C@H](CO)c1c(F)cccc1F)c1cc(F)ccc1O ZINC000273465839 432602107 /nfs/dbraw/zinc/60/21/07/432602107.db2.gz IUJOVISOBYFWLL-LKFCYVNXSA-N 0 0 311.303 3.194 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)c1ccc(F)cc1[O-] ZINC000273475447 432602700 /nfs/dbraw/zinc/60/27/00/432602700.db2.gz SSCMWJKGXZCUKI-CZUORRHYSA-N 0 0 303.377 3.176 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000230314936 432726143 /nfs/dbraw/zinc/72/61/43/432726143.db2.gz OXYKFUXTDMGHRP-OCCSQVGLSA-N 0 0 302.201 3.356 20 10 DGCDRN O=C(COc1ccc(N2CCCC2)cc1)NCc1cccs1 ZINC000178192253 432705322 /nfs/dbraw/zinc/70/53/22/432705322.db2.gz NUJGLTWNKYDTAS-UHFFFAOYSA-N 0 0 316.426 3.044 20 10 DGCDRN COc1cc(O)c(C[N@@H+]2CC[C@H](c3ccccc3)C2)cc1OC ZINC000160034929 432705595 /nfs/dbraw/zinc/70/55/95/432705595.db2.gz WEWKLHCZIDRSOB-HNNXBMFYSA-N 0 0 313.397 3.399 20 10 DGCDRN CN(C(=O)COc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000178191895 432706142 /nfs/dbraw/zinc/70/61/42/432706142.db2.gz BEMYUJLEWXOMRP-UHFFFAOYSA-N 0 0 310.397 3.329 20 10 DGCDRN C[C@H]([NH2+]CCCNc1ccccn1)c1ccc(F)c(F)c1[O-] ZINC000187750499 432683161 /nfs/dbraw/zinc/68/31/61/432683161.db2.gz RUWSCQRWCUVWEQ-NSHDSACASA-N 0 0 307.344 3.218 20 10 DGCDRN CN(Cc1noc(-c2ccsc2)n1)Cc1ccccc1O ZINC000160876640 432746830 /nfs/dbraw/zinc/74/68/30/432746830.db2.gz KNZWXCNGMFOSCV-UHFFFAOYSA-N 0 0 301.371 3.136 20 10 DGCDRN CN(Cc1nc(-c2ccccc2F)no1)Cc1ccccc1O ZINC000189107526 432763043 /nfs/dbraw/zinc/76/30/43/432763043.db2.gz QZZUTHAXEVQNEU-UHFFFAOYSA-N 0 0 313.332 3.213 20 10 DGCDRN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CC[C@H](O)CC1 ZINC000275954926 432763676 /nfs/dbraw/zinc/76/36/76/432763676.db2.gz JRTDWYJFABGPCH-HAQNSBGRSA-N 0 0 304.217 3.434 20 10 DGCDRN CCN(C(=O)N1CCCN(c2ccc(OC)cc2)CC1)C(C)C ZINC000162581812 432827541 /nfs/dbraw/zinc/82/75/41/432827541.db2.gz YJRNEGZIVDWMLE-UHFFFAOYSA-N 0 0 319.449 3.058 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CC(F)(F)C1 ZINC000277203790 432830166 /nfs/dbraw/zinc/83/01/66/432830166.db2.gz MTWPEMYTBORZFM-UHFFFAOYSA-N 0 0 311.376 3.082 20 10 DGCDRN CCCC[C@H]([NH2+]Cc1ccc(N(CC)CC)c(F)c1)C(=O)[O-] ZINC000277163672 432830464 /nfs/dbraw/zinc/83/04/64/432830464.db2.gz DLBGMFPODSXJMV-HNNXBMFYSA-N 0 0 310.413 3.405 20 10 DGCDRN COC(=O)[C@@H](NCc1cc(-c2ccccc2)ccc1O)C1CC1 ZINC000276492604 432811514 /nfs/dbraw/zinc/81/15/14/432811514.db2.gz QKBGSALQCBUMIY-SFHVURJKSA-N 0 0 311.381 3.100 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)C2Cc3ccccc3C2)cc1 ZINC000277561891 432860608 /nfs/dbraw/zinc/86/06/08/432860608.db2.gz ZUMPZDFLAYLQGN-UHFFFAOYSA-N 0 0 308.425 3.126 20 10 DGCDRN CCN(CCO[C@@H]1CCCCO1)c1ccc(OC)c(OC)c1 ZINC000277690143 432869340 /nfs/dbraw/zinc/86/93/40/432869340.db2.gz LFFPIQIDSCLNAN-QGZVFWFLSA-N 0 0 309.406 3.073 20 10 DGCDRN CCC1(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC1 ZINC000277871505 432876639 /nfs/dbraw/zinc/87/66/39/432876639.db2.gz OJHRKTWYKQTLAJ-UHFFFAOYSA-N 0 0 322.792 3.000 20 10 DGCDRN CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2cc(C)c(C)cc2O)[nH]1 ZINC000277469720 432852563 /nfs/dbraw/zinc/85/25/63/432852563.db2.gz RJIOPGFPZOLFKN-MFKMUULPSA-N 0 0 302.422 3.491 20 10 DGCDRN C[C@@H](NCc1ncc(C(F)(F)F)cn1)c1ccc(F)cc1O ZINC000296617249 432924398 /nfs/dbraw/zinc/92/43/98/432924398.db2.gz WQNXWJONJBMBLC-MRVPVSSYSA-N 0 0 315.270 3.191 20 10 DGCDRN Cc1cc(C(=O)NCCC[C@@H](C)O)c(C)n1-c1ccc(F)cc1 ZINC000279143331 432939437 /nfs/dbraw/zinc/93/94/37/432939437.db2.gz OQOOVKFIRJSYFG-CYBMUJFWSA-N 0 0 318.392 3.124 20 10 DGCDRN CCCn1ncnc1CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000279155078 432940716 /nfs/dbraw/zinc/94/07/16/432940716.db2.gz BHGVFEYIGZFVTR-UHFFFAOYSA-N 0 0 315.465 3.165 20 10 DGCDRN CS(=O)(=O)Cc1ccc(N[C@H]2CCc3cccc(O)c32)cc1 ZINC000296954342 432942403 /nfs/dbraw/zinc/94/24/03/432942403.db2.gz QWZXRJHAWQPMMD-HNNXBMFYSA-N 0 0 317.410 3.036 20 10 DGCDRN COC[C@H](C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-])OC ZINC000278643729 432898551 /nfs/dbraw/zinc/89/85/51/432898551.db2.gz HQCOQQPMYJLEDF-BDAKNGLRSA-N 0 0 308.205 3.011 20 10 DGCDRN Oc1ccccc1CN(C[C@@H]1CCCO1)c1cncc(Cl)n1 ZINC000278850053 432908887 /nfs/dbraw/zinc/90/88/87/432908887.db2.gz LSSLNSCRDLLWRJ-ZDUSSCGKSA-N 0 0 319.792 3.021 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@@H](C)Cc2cccs2)ccc1[N+](=O)[O-] ZINC000278917736 432917001 /nfs/dbraw/zinc/91/70/01/432917001.db2.gz UKSDULNMNGNLFF-JTQLQIEISA-N 0 0 322.386 3.091 20 10 DGCDRN Cc1noc([C@H]2CCCCN2Cc2cc(C)c(C)cc2O)n1 ZINC000289749918 432972633 /nfs/dbraw/zinc/97/26/33/432972633.db2.gz JDDNWLYZHFTINE-OAHLLOKOSA-N 0 0 301.390 3.428 20 10 DGCDRN C[C@H]([NH2+]CCc1cn[nH]c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000289787327 432974327 /nfs/dbraw/zinc/97/43/27/432974327.db2.gz NAQIWOKYJDAOEC-QMMMGPOBSA-N 0 0 300.189 3.315 20 10 DGCDRN C[C@@H](NCc1ncnn1-c1ccccc1)c1ccc(N(C)C)cc1 ZINC000279497735 432975964 /nfs/dbraw/zinc/97/59/64/432975964.db2.gz MGGGYPDSSMWGEQ-OAHLLOKOSA-N 0 0 321.428 3.184 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)C[C@@H]1CCC(=O)[C@H]1C ZINC000279908342 432998328 /nfs/dbraw/zinc/99/83/28/432998328.db2.gz MWVZLCAHTVGKEH-KBPBESRZSA-N 0 0 303.402 3.136 20 10 DGCDRN CC[C@H](Nc1cccc(OCC(N)=O)c1)c1ccc(C)cc1O ZINC000280119688 433004015 /nfs/dbraw/zinc/00/40/15/433004015.db2.gz OEWWIRUNXAXLJU-INIZCTEOSA-N 0 0 314.385 3.128 20 10 DGCDRN COc1ccc(N(C)Cc2cnc([C@H](C)O)s2)cc1Cl ZINC000290206720 433014428 /nfs/dbraw/zinc/01/44/28/433014428.db2.gz DLPWPPDTKVNSNA-VIFPVBQESA-N 0 0 312.822 3.495 20 10 DGCDRN COCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185467988 292722629 /nfs/dbraw/zinc/72/26/29/292722629.db2.gz UCOQDIBQYRGDGB-XPTSAGLGSA-N 0 0 322.232 3.137 20 10 DGCDRN CC[C@@](C)(OC)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000280539606 433078276 /nfs/dbraw/zinc/07/82/76/433078276.db2.gz POKBOSZCSZRUSM-GOSISDBHSA-N 0 0 304.434 3.059 20 10 DGCDRN COc1cc(Cl)cc(CN2C[C@@H](C)O[C@@H](C3CC3)C2)c1O ZINC000373472900 433154635 /nfs/dbraw/zinc/15/46/35/433154635.db2.gz GOLKYWPVOXPCJH-MEBBXXQBSA-N 0 0 311.809 3.054 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NOC/C=C/Cl)cc1 ZINC000290777816 433162921 /nfs/dbraw/zinc/16/29/21/433162921.db2.gz WDGTZFRLYJSWGX-BJMVGYQFSA-N 0 0 311.813 3.016 20 10 DGCDRN CCn1ccnc1[C@@H]1CCCCN1Cc1cccc(OC)c1O ZINC000281169368 433266875 /nfs/dbraw/zinc/26/68/75/433266875.db2.gz QKTCGECMFKHGHA-HNNXBMFYSA-N 0 0 315.417 3.344 20 10 DGCDRN CC[C@@](C)(OC)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000281279848 433279785 /nfs/dbraw/zinc/27/97/85/433279785.db2.gz XKATUXFVJHPEAJ-LJQANCHMSA-N 0 0 318.461 3.450 20 10 DGCDRN CSC[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000291594300 433281617 /nfs/dbraw/zinc/28/16/17/433281617.db2.gz GNQSHWMSCZIGCX-OAHLLOKOSA-N 0 0 321.490 3.037 20 10 DGCDRN CC[C@H](C)CONC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000291663936 433304586 /nfs/dbraw/zinc/30/45/86/433304586.db2.gz PEQPQMIMJNFYRU-AWEZNQCLSA-N 0 0 305.422 3.064 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3ccoc3C3CC3)ccc21 ZINC000281770881 433373814 /nfs/dbraw/zinc/37/38/14/433373814.db2.gz GEFNALQPJJPGAT-UHFFFAOYSA-N 0 0 310.397 3.469 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCC(C)(C)COC ZINC000291988288 433419989 /nfs/dbraw/zinc/41/99/89/433419989.db2.gz ZRFJVUUYCIIWDJ-UHFFFAOYSA-N 0 0 322.449 3.377 20 10 DGCDRN C[C@H]([NH2+]CCSC(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273432175 289960536 /nfs/dbraw/zinc/96/05/36/289960536.db2.gz VWVQMIRKWNVCKA-ZETCQYMHSA-N 0 0 310.297 3.204 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNCc1nn(C)c(C)c1Cl ZINC000421396637 433544137 /nfs/dbraw/zinc/54/41/37/433544137.db2.gz RHYRFQQIKQFKAG-UHFFFAOYSA-N 0 0 316.836 3.472 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cc(CC)n[nH]1 ZINC000282486011 433613220 /nfs/dbraw/zinc/61/32/20/433613220.db2.gz MDJKTMHIXUOOBJ-UHFFFAOYSA-N 0 0 301.390 3.120 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1cccnc1 ZINC000282564432 433618189 /nfs/dbraw/zinc/61/81/89/433618189.db2.gz JXHUFRPMSFOEQL-UHFFFAOYSA-N 0 0 313.401 3.299 20 10 DGCDRN Cc1ccc(C(=O)N2CCC=C(c3ccccc3)C2)c(O)c1O ZINC000375957398 433623425 /nfs/dbraw/zinc/62/34/25/433623425.db2.gz LABCUTZBYTYBEY-UHFFFAOYSA-N 0 0 309.365 3.336 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ccccc1NC(=O)C1CC1 ZINC000293398676 433724376 /nfs/dbraw/zinc/72/43/76/433724376.db2.gz NXILWPWDSZMCPZ-UHFFFAOYSA-N 0 0 324.380 3.013 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)C(C)(C)C3CC3)CC2)cc1 ZINC000376605800 433788441 /nfs/dbraw/zinc/78/84/41/433788441.db2.gz HWIJTYKELUNTIT-UHFFFAOYSA-N 0 0 316.445 3.170 20 10 DGCDRN Cc1cnc(NCc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000302089084 433814192 /nfs/dbraw/zinc/81/41/92/433814192.db2.gz GCNOKWAIJSRGBM-UHFFFAOYSA-N 0 0 307.394 3.039 20 10 DGCDRN Oc1ccccc1CN(C[C@H]1CCCO1)c1ncncc1Cl ZINC000302643594 433827559 /nfs/dbraw/zinc/82/75/59/433827559.db2.gz LUTNRJHONUPFND-CYBMUJFWSA-N 0 0 319.792 3.021 20 10 DGCDRN CSCc1cnc(CN(C)c2ccc3c(c2)OCO3)s1 ZINC000293701248 433834181 /nfs/dbraw/zinc/83/41/81/433834181.db2.gz TVWAZDAQMCNBQB-UHFFFAOYSA-N 0 0 308.428 3.371 20 10 DGCDRN CCCc1nc(C)c(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000293903841 433915750 /nfs/dbraw/zinc/91/57/50/433915750.db2.gz ZTOCKMFCYBBPPJ-JTQLQIEISA-N 0 0 319.361 3.400 20 10 DGCDRN COc1cc(Cl)cc(CN2C[C@@]3(CCCO3)[C@H]2C2CC2)c1O ZINC000293933986 433931749 /nfs/dbraw/zinc/93/17/49/433931749.db2.gz HQSWKCFHILWABN-SJORKVTESA-N 0 0 323.820 3.198 20 10 DGCDRN COc1cc(Cl)cc(CN2C[C@]3(CCCO3)[C@@H]2C2CC2)c1O ZINC000293933971 433932628 /nfs/dbraw/zinc/93/26/28/433932628.db2.gz HQSWKCFHILWABN-DLBZAZTESA-N 0 0 323.820 3.198 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@@H](O)c1ccccc1 ZINC000293966679 433946141 /nfs/dbraw/zinc/94/61/41/433946141.db2.gz QHRIYNIWLGROMM-MGPLVRAMSA-N 0 0 309.768 3.396 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000377647897 433938128 /nfs/dbraw/zinc/93/81/28/433938128.db2.gz NNEIFUIVXQVVLB-KURKYZTESA-N 0 0 316.445 3.057 20 10 DGCDRN Cc1ccc(O)c(CN2CCC(=O)Nc3cc(F)ccc32)c1 ZINC000378133634 434088836 /nfs/dbraw/zinc/08/88/36/434088836.db2.gz ZMLWHCXELYBIAK-UHFFFAOYSA-N 0 0 300.333 3.189 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1n1ccnc1 ZINC000294434595 434112221 /nfs/dbraw/zinc/11/22/21/434112221.db2.gz XNEGPKNLIXEQKY-ABAIWWIYSA-N 0 0 323.799 3.464 20 10 DGCDRN CCN(CC)c1ccc(CNCc2nnc(C(C)C)[nH]2)cc1 ZINC000294694780 434128878 /nfs/dbraw/zinc/12/88/78/434128878.db2.gz CQDCLFFDJIQMLI-UHFFFAOYSA-N 0 0 301.438 3.064 20 10 DGCDRN Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294764490 434142268 /nfs/dbraw/zinc/14/22/68/434142268.db2.gz SILMEDSWXCROCO-ZDUSSCGKSA-N 0 0 309.772 3.085 20 10 DGCDRN Cc1ccccc1[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000294799470 434144141 /nfs/dbraw/zinc/14/41/41/434144141.db2.gz DXRNLTMNLUYHPL-GFCCVEGCSA-N 0 0 315.344 3.175 20 10 DGCDRN COC(=O)[C@H](C)NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000294847910 434151526 /nfs/dbraw/zinc/15/15/26/434151526.db2.gz URZFAGHRPRRUSN-ZDUSSCGKSA-N 0 0 318.442 3.036 20 10 DGCDRN COc1ccc(N(C[C@H](O)c2cccnc2)[C@@H](C)C2CC2)cc1 ZINC000294951333 434153262 /nfs/dbraw/zinc/15/32/62/434153262.db2.gz MOIKPYOLIOQISP-LIRRHRJNSA-N 0 0 312.413 3.429 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNc1ccc2c(n1)CCCC2=O ZINC000450491012 434222667 /nfs/dbraw/zinc/22/26/67/434222667.db2.gz NGFNTWQKHFVJSG-UHFFFAOYSA-N 0 0 319.408 4.013 20 10 DGCDRN CC[C@@H]([NH2+][C@H](CO)CCOC)c1cc(Cl)cc(Cl)c1[O-] ZINC000286967836 434298847 /nfs/dbraw/zinc/29/88/47/434298847.db2.gz IHYAUCCPKQEJGZ-GXFFZTMASA-N 0 0 322.232 3.137 20 10 DGCDRN CC1(C)C[C@@H](O)CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295331609 434312731 /nfs/dbraw/zinc/31/27/31/434312731.db2.gz XPPDETJCTJKRAN-NSHDSACASA-N 0 0 301.789 3.168 20 10 DGCDRN CCCOc1ccc(C(=O)NCc2ccccc2O)c(OC)c1 ZINC000295405983 434347900 /nfs/dbraw/zinc/34/79/00/434347900.db2.gz ZYAKEDOMBYGQNL-UHFFFAOYSA-N 0 0 315.369 3.120 20 10 DGCDRN CCOc1ccc(O)c(CN2CCCC[C@@H]2c2noc(C)n2)c1 ZINC000367475477 434548372 /nfs/dbraw/zinc/54/83/72/434548372.db2.gz ZUBPDJTZJXHNCU-OAHLLOKOSA-N 0 0 317.389 3.210 20 10 DGCDRN Cc1onc(-c2cccnc2)c1C(=O)N(C)Cc1ccccc1O ZINC000367532718 434551199 /nfs/dbraw/zinc/55/11/99/434551199.db2.gz DEPQOYYAXCQKIB-UHFFFAOYSA-N 0 0 323.352 3.023 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CCC(F)(F)[C@@H](C)C2)cc1OC ZINC000291141790 295026598 /nfs/dbraw/zinc/02/65/98/295026598.db2.gz NZPIKNVAFYYEIS-VIFPVBQESA-N 0 0 316.304 3.094 20 10 DGCDRN COc1ccc(O)c([C@H](C)N[C@@H]2COc3cc(F)cc(F)c32)c1 ZINC000368211262 434567711 /nfs/dbraw/zinc/56/77/11/434567711.db2.gz CUSGEGWBHBEPNB-LKFCYVNXSA-N 0 0 321.323 3.463 20 10 DGCDRN CC(C)c1nnc2n1CCN(Cc1c(O)ccc3ccccc31)C2 ZINC000371635457 434732025 /nfs/dbraw/zinc/73/20/25/434732025.db2.gz XJNULZVRMFYZRS-UHFFFAOYSA-N 0 0 322.412 3.276 20 10 DGCDRN CCN(C(=O)/C=C/c1ccccc1-n1cccn1)c1ccncc1 ZINC000492028052 434902372 /nfs/dbraw/zinc/90/23/72/434902372.db2.gz CGFOFTDFMOQSTI-CMDGGOBGSA-N 0 0 318.380 3.334 20 10 DGCDRN Cc1cccc(N(C)C(=O)/C=C/c2ccccc2-n2cccn2)n1 ZINC000492037798 434904589 /nfs/dbraw/zinc/90/45/89/434904589.db2.gz ZZUAXIOOPDUPSN-VAWYXSNFSA-N 0 0 318.380 3.252 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCC(F)(F)C[C@H]2C)c1O ZINC000528769773 435028464 /nfs/dbraw/zinc/02/84/64/435028464.db2.gz SRDXWEYTLKDFAW-SECBINFHSA-N 0 0 301.308 3.354 20 10 DGCDRN Cc1ccncc1N(C)C(=O)/C=C/c1cnn(-c2ccccc2)c1 ZINC000492645522 435029567 /nfs/dbraw/zinc/02/95/67/435029567.db2.gz VFNJWBQIJDHLAS-CMDGGOBGSA-N 0 0 318.380 3.252 20 10 DGCDRN CC(=O)c1cc(F)cc(CN[C@@H](C)c2ncccc2F)c1O ZINC000528832462 435029790 /nfs/dbraw/zinc/02/97/90/435029790.db2.gz VUSJMUFLYGVSGS-VIFPVBQESA-N 0 0 306.312 3.119 20 10 DGCDRN Cc1ccncc1/C=C\C(=O)N(C[C@H]1CCCO1)c1ccncc1 ZINC000492496090 434996329 /nfs/dbraw/zinc/99/63/29/434996329.db2.gz ZTQXBVUFBLENDA-PYTPGESOSA-N 0 0 323.396 3.010 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCSC[C@H]1c1ccccc1 ZINC000185665292 304549362 /nfs/dbraw/zinc/54/93/62/304549362.db2.gz STRYTUHOVFWNLO-AWEZNQCLSA-N 0 0 315.394 3.028 20 10 DGCDRN CCn1cnc2c1ncnc2NCc1c(C)c2ccccc2n1C ZINC000530429866 435044579 /nfs/dbraw/zinc/04/45/79/435044579.db2.gz SLHWNWRMTVKGAF-UHFFFAOYSA-N 0 0 320.400 3.258 20 10 DGCDRN C[C@H]1CN(C(=O)/C=C\c2cncs2)c2cccc(F)c2O1 ZINC000493167488 435119199 /nfs/dbraw/zinc/11/91/99/435119199.db2.gz PPNIZYANYSMICC-OMMCCPJFSA-N 0 0 304.346 3.110 20 10 DGCDRN O=C(/C=C/c1cncs1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000493528972 435188711 /nfs/dbraw/zinc/18/87/11/435188711.db2.gz STPPAEIDUBEDCA-AATRIKPKSA-N 0 0 315.354 3.044 20 10 DGCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H](C)CF)CCCC1 ZINC000650035601 435793840 /nfs/dbraw/zinc/79/38/40/435793840.db2.gz WKCOKFFADSKTDJ-LBPRGKRZSA-N 0 0 318.392 3.003 20 10 DGCDRN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000184769004 533696049 /nfs/dbraw/zinc/69/60/49/533696049.db2.gz UEYZXSBWAZRAHW-CVYKPKQLSA-N 0 0 324.380 3.116 20 10 DGCDRN O=C(c1c[nH]nc1-c1cccnc1)N1CCc2ccc(Cl)cc21 ZINC000530748123 331623357 /nfs/dbraw/zinc/62/33/57/331623357.db2.gz OVKYPUUJMQNSRL-UHFFFAOYSA-N 0 0 324.771 3.328 20 10 DGCDRN CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Cc1ccc(N)cc1 ZINC000261604304 332289881 /nfs/dbraw/zinc/28/98/81/332289881.db2.gz CNHPWEVVXUORHY-LBPRGKRZSA-N 0 0 300.324 3.001 20 10 DGCDRN Cc1ccc(O)c([C@@H](C)[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC000296388294 334233224 /nfs/dbraw/zinc/23/32/24/334233224.db2.gz JXTOQIHZZXVQAZ-OWCLPIDISA-N 0 0 324.424 3.043 20 10 DGCDRN COc1ccc(N2CCC(Nc3cccc(F)n3)CC2)cc1 ZINC000301147188 336292144 /nfs/dbraw/zinc/29/21/44/336292144.db2.gz BHJWVUSGACTUCI-UHFFFAOYSA-N 0 0 301.365 3.310 20 10 DGCDRN O=C(/C=C\c1cccnc1)N1C[C@H]2CCCN2c2ccccc21 ZINC000490577086 339834816 /nfs/dbraw/zinc/83/48/16/339834816.db2.gz PLBABMACTPKIBC-ZBTGYSDGSA-N 0 0 305.381 3.110 20 10 DGCDRN Cc1ncccc1/C=C/C(=O)N1C[C@@H]2CCCN2c2ccccc21 ZINC000492952263 339913320 /nfs/dbraw/zinc/91/33/20/339913320.db2.gz GSHNADNNBCWNOL-DVQDXYAYSA-N 0 0 319.408 3.419 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1c[nH]c2ncccc12 ZINC000352130180 533971562 /nfs/dbraw/zinc/97/15/62/533971562.db2.gz XTBUDIYRIOKLPJ-UHFFFAOYSA-N 0 0 318.380 3.293 20 10 DGCDRN C/C=C(\C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000267544737 518481765 /nfs/dbraw/zinc/48/17/65/518481765.db2.gz BQEZRPPCMXXLOB-KDHQJITESA-N 0 0 320.408 3.022 20 10 DGCDRN CC(C)[C@@H](C)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000172229936 519789867 /nfs/dbraw/zinc/78/98/67/519789867.db2.gz TXUGYWVUWSOMKU-GDBMZVCRSA-N 0 0 305.418 3.192 20 10 DGCDRN CC(C)c1ccccc1OCCNC(=O)Cc1ccc(N)cc1 ZINC000157962167 519847502 /nfs/dbraw/zinc/84/75/02/519847502.db2.gz UNBIGDJHEXSUGP-UHFFFAOYSA-N 0 0 312.413 3.130 20 10 DGCDRN CCCN1Cc2cccc(NC(=O)Cc3ccc(N)cc3)c2C1 ZINC000236812189 519864616 /nfs/dbraw/zinc/86/46/16/519864616.db2.gz RQWLDQCSFDOHSG-UHFFFAOYSA-N 0 0 309.413 3.176 20 10 DGCDRN CCC[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)C(C)C ZINC000134364072 520589241 /nfs/dbraw/zinc/58/92/41/520589241.db2.gz RZQUOPDISSNGDP-GOSISDBHSA-N 0 0 318.461 3.212 20 10 DGCDRN CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000179936140 520675583 /nfs/dbraw/zinc/67/55/83/520675583.db2.gz XHYOMWAHOKDSJL-AWEZNQCLSA-N 0 0 324.852 3.174 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C2(CCOC)CC2)cc1F ZINC000161862259 520896084 /nfs/dbraw/zinc/89/60/84/520896084.db2.gz AFSHMBOBFOPEKZ-UHFFFAOYSA-N 0 0 322.424 3.105 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](C)CCCOC)cc1F ZINC000182733472 520899876 /nfs/dbraw/zinc/89/98/76/520899876.db2.gz FTZWEYWLQIUMLW-AWEZNQCLSA-N 0 0 324.440 3.351 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2c[nH]nc2C2CC2)cc1 ZINC000190151793 520902889 /nfs/dbraw/zinc/90/28/89/520902889.db2.gz FEXAEKLSJMRYHA-UHFFFAOYSA-N 0 0 312.417 3.063 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Cn1ncc2ccccc21 ZINC000264388055 521687703 /nfs/dbraw/zinc/68/77/03/521687703.db2.gz KYFHKOOTXFJFIX-UHFFFAOYSA-N 0 0 323.396 3.181 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cnc(CC)nc1 ZINC000161167617 521688499 /nfs/dbraw/zinc/68/84/99/521688499.db2.gz WWYILVGYCYSVFT-UHFFFAOYSA-N 0 0 314.389 3.189 20 10 DGCDRN CCS[C@@H]1CCCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180773889 521722445 /nfs/dbraw/zinc/72/24/45/521722445.db2.gz CGRREVOVBLBQOI-RCQQVGEISA-N 0 0 321.442 3.245 20 10 DGCDRN CCS[C@H]1CCCC[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180847526 521730951 /nfs/dbraw/zinc/73/09/51/521730951.db2.gz RMWRRTTUYUTRDN-GPJUQDOMSA-N 0 0 321.442 3.292 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccsc1 ZINC000183210484 522252823 /nfs/dbraw/zinc/25/28/23/522252823.db2.gz BJVOJIBGOMXZMJ-UHFFFAOYSA-N 0 0 303.387 3.245 20 10 DGCDRN CC[C@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccncc1 ZINC000173183855 522454423 /nfs/dbraw/zinc/45/44/23/522454423.db2.gz FMEDNQWVXXLNIE-KRWDZBQOSA-N 0 0 312.417 3.098 20 10 DGCDRN CC[C@@H](Nc1ccc(OCC(=O)NC)cc1)c1ccccc1O ZINC000157757420 522958948 /nfs/dbraw/zinc/95/89/48/522958948.db2.gz ZTFKPLSLOGTINP-MRXNPFEDSA-N 0 0 314.385 3.080 20 10 DGCDRN CC[C@H](c1ccncc1)N(C)C(=O)c1ccc(C)c(O)c1O ZINC000182483384 522962517 /nfs/dbraw/zinc/96/25/17/522962517.db2.gz VVYUTPAABSZDLD-CQSZACIVSA-N 0 0 300.358 3.025 20 10 DGCDRN CO[C@@H](C)c1noc(CN(C)c2ccc(OC(C)C)cc2)n1 ZINC000191589630 523480200 /nfs/dbraw/zinc/48/02/00/523480200.db2.gz XFXCMADISRJRID-LBPRGKRZSA-N 0 0 305.378 3.201 20 10 DGCDRN CN(c1ccc(CNC(=O)c2ccnnc2)cc1)C1CCCCC1 ZINC000155021352 523636671 /nfs/dbraw/zinc/63/66/71/523636671.db2.gz SXHUEIBPASOOPL-UHFFFAOYSA-N 0 0 324.428 3.176 20 10 DGCDRN C[C@@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C(C)(C)C ZINC000265255776 524085236 /nfs/dbraw/zinc/08/52/36/524085236.db2.gz SVZPYOJLKMQDIT-HNNXBMFYSA-N 0 0 318.461 3.164 20 10 DGCDRN Cc1ccc(C)c(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000190905015 524149182 /nfs/dbraw/zinc/14/91/82/524149182.db2.gz MQAJPKRVQYKQPD-ZDUSSCGKSA-N 0 0 314.385 3.467 20 10 DGCDRN COc1ccc(N(C)Cc2noc(C(C)(C)C)n2)c(OC)c1 ZINC000132013759 524354955 /nfs/dbraw/zinc/35/49/55/524354955.db2.gz ZXKVEXHHZXLZJN-UHFFFAOYSA-N 0 0 305.378 3.021 20 10 DGCDRN COc1ccc(N2CCN([C@H](C)c3cccnc3)CC2)cc1F ZINC000267933097 524433419 /nfs/dbraw/zinc/43/34/19/524433419.db2.gz OYWQWXOWWWMJKW-CQSZACIVSA-N 0 0 315.392 3.113 20 10 DGCDRN C[C@@H]1CC[C@H](CCC(=O)NCc2ccc3c(c2)CCCN3C)O1 ZINC000175787982 524667156 /nfs/dbraw/zinc/66/71/56/524667156.db2.gz DQCWRVPVOPNYLQ-RHSMWYFYSA-N 0 0 316.445 3.033 20 10 DGCDRN Cc1cccc(OCCC(=O)NCCc2ccc(N)cc2)c1C ZINC000237701113 524725643 /nfs/dbraw/zinc/72/56/43/524725643.db2.gz AAFPASLIAOTVNM-UHFFFAOYSA-N 0 0 312.413 3.013 20 10 DGCDRN COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])cc1 ZINC000191194144 525206983 /nfs/dbraw/zinc/20/69/83/525206983.db2.gz AHRQGJOESOYABK-BONVTDFDSA-N 0 0 323.339 3.063 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc(F)c(F)c1[O-] ZINC000191193858 525474933 /nfs/dbraw/zinc/47/49/33/525474933.db2.gz TXGCWQURTGLOLX-YMTOWFKASA-N 0 0 311.303 3.194 20 10 DGCDRN C[C@@H](OCCCNC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000237414377 525901386 /nfs/dbraw/zinc/90/13/86/525901386.db2.gz CQLODVCNFFGQMU-OAHLLOKOSA-N 0 0 312.413 3.095 20 10 DGCDRN COc1cccc(CNC(=O)[C@H]2CCCc3sccc32)c1O ZINC000155450220 526000383 /nfs/dbraw/zinc/00/03/83/526000383.db2.gz KXYUSFCIYBDVAS-ZDUSSCGKSA-N 0 0 317.410 3.199 20 10 DGCDRN Cc1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)co1 ZINC000188866189 526232389 /nfs/dbraw/zinc/23/23/89/526232389.db2.gz LUQPDVZEJQFILG-INIZCTEOSA-N 0 0 315.369 3.115 20 10 DGCDRN Cc1onc(-c2cccnc2)c1C(=O)N1CCc2ccccc21 ZINC000367566842 526853101 /nfs/dbraw/zinc/85/31/01/526853101.db2.gz SNEPQELMZHJRCA-UHFFFAOYSA-N 0 0 305.337 3.248 20 10 DGCDRN Cc1nc(Cl)cc(NCc2ccc(N3CC=CC3)cc2)n1 ZINC000265850049 526935185 /nfs/dbraw/zinc/93/51/85/526935185.db2.gz PTYZGBOYCKIICJ-UHFFFAOYSA-N 0 0 300.793 3.427 20 10 DGCDRN O=C1CCCN1c1ccc(NCc2c(O)cccc2Cl)nc1 ZINC000158952863 526979741 /nfs/dbraw/zinc/97/97/41/526979741.db2.gz KPZIHSTXMLCTBW-UHFFFAOYSA-N 0 0 317.776 3.180 20 10 DGCDRN CC(=O)c1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000171763798 527258343 /nfs/dbraw/zinc/25/83/43/527258343.db2.gz VNDZOCZABZGSIU-UHFFFAOYSA-N 0 0 322.408 3.419 20 10 DGCDRN Nc1ccc(CC(=O)N2CCCC[C@H]2Cc2ccccc2)cc1 ZINC000269222524 527474227 /nfs/dbraw/zinc/47/42/27/527474227.db2.gz LNDWKWWDHVVPJH-IBGZPJMESA-N 0 0 308.425 3.435 20 10 DGCDRN Nc1ccc(CC(=O)NCC2(c3ccc(F)cc3)CCC2)cc1 ZINC000154140401 527476686 /nfs/dbraw/zinc/47/66/86/527476686.db2.gz JWNJGCPIWJUVNK-UHFFFAOYSA-N 0 0 312.388 3.189 20 10 DGCDRN Nc1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000238026480 527494882 /nfs/dbraw/zinc/49/48/82/527494882.db2.gz TZXIBOOKUAIJQS-QGZVFWFLSA-N 0 0 312.369 3.079 20 10 DGCDRN CC(C)CCSCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173193305 527794371 /nfs/dbraw/zinc/79/43/71/527794371.db2.gz UTJJJISXXGRNKD-UHFFFAOYSA-N 0 0 322.474 3.257 20 10 DGCDRN COC1(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CCC1 ZINC000272992681 536514645 /nfs/dbraw/zinc/51/46/45/536514645.db2.gz SWKYVRKRKOYROZ-UHFFFAOYSA-N 0 0 316.445 3.204 20 10 DGCDRN CCCCS[C@@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173196367 528738958 /nfs/dbraw/zinc/73/89/58/528738958.db2.gz UHBJXGPYMBUNNK-ZDUSSCGKSA-N 0 0 322.474 3.400 20 10 DGCDRN CCC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCOCC1 ZINC000273563878 535298481 /nfs/dbraw/zinc/29/84/81/535298481.db2.gz IYOYMNBDQKWZFV-GFCCVEGCSA-N 0 0 308.378 3.158 20 10 DGCDRN CC[C@H]([NH2+]CCC(=O)N1CCCCCC1)c1ccc(F)cc1[O-] ZINC000285535290 535899113 /nfs/dbraw/zinc/89/91/13/535899113.db2.gz BWLFCAJMTOLAFB-INIZCTEOSA-N 0 0 322.424 3.365 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cccc(C)n2)cc1F ZINC000731347487 574547620 /nfs/dbraw/zinc/54/76/20/574547620.db2.gz ZBUQJLRWPXJJIX-UHFFFAOYSA-N 0 0 315.392 3.305 20 10 DGCDRN C[C@H]1CC[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000731121991 574543972 /nfs/dbraw/zinc/54/39/72/574543972.db2.gz VCYCDVRFAIFKGZ-KOMQPUFPSA-N 0 0 303.450 3.473 20 10 DGCDRN CCN(CC)c1ccc(CNC(=S)NC(C)(C)C)cc1F ZINC000731321107 574547087 /nfs/dbraw/zinc/54/70/87/574547087.db2.gz ZYLDTBHWNRVDQF-UHFFFAOYSA-N 0 0 311.470 3.435 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C)CSC)cc1 ZINC000731327211 574547445 /nfs/dbraw/zinc/54/74/45/574547445.db2.gz JOIAJTFNDCNVJK-AWEZNQCLSA-N 0 0 308.491 3.490 20 10 DGCDRN Cc1nc(-c2ccccn2)nc(NCc2ccccc2O)c1C ZINC000731662758 574555749 /nfs/dbraw/zinc/55/57/49/574555749.db2.gz SRHJMKDGRSZUET-UHFFFAOYSA-N 0 0 306.369 3.473 20 10 DGCDRN C[C@@H](OC(=O)C1=CC(=O)CS1)c1nc2ccccc2c(=O)[nH]1 ZINC000731909221 574561821 /nfs/dbraw/zinc/56/18/21/574561821.db2.gz DAMILFQWBCQHKQ-MRVPVSSYSA-N 0 0 316.338 3.021 20 10 DGCDRN Cc1ccc2c(COC(=O)C3=CC(=O)CS3)cc(=O)oc2c1 ZINC000731911974 574561863 /nfs/dbraw/zinc/56/18/63/574561863.db2.gz OZOUDNVMTBQMTN-UHFFFAOYSA-N 0 0 316.334 3.226 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cc1cccnc1 ZINC000731969166 574563966 /nfs/dbraw/zinc/56/39/66/574563966.db2.gz QYNFHMDGAYEFKL-UHFFFAOYSA-N 0 0 311.429 3.127 20 10 DGCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)CC1CCCC1 ZINC000732202920 574567768 /nfs/dbraw/zinc/56/77/68/574567768.db2.gz IQNJUOQWSXRCNI-UHFFFAOYSA-N 0 0 311.809 3.211 20 10 DGCDRN O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)C1=CC(=O)CS1 ZINC000732277530 574570122 /nfs/dbraw/zinc/57/01/22/574570122.db2.gz JQWFQISGTDXCLQ-XJKSGUPXSA-N 0 0 317.410 3.351 20 10 DGCDRN O=C(N[C@@H](c1nccs1)c1ccccc1)C1=CC(=O)CS1 ZINC000732287172 574570762 /nfs/dbraw/zinc/57/07/62/574570762.db2.gz OCQXAEFECNRWIG-CYBMUJFWSA-N 0 0 316.407 3.430 20 10 DGCDRN C[C@@H](OC(=O)C1=CC(=O)CS1)C(=O)c1ccc(F)cc1F ZINC000732353775 574572089 /nfs/dbraw/zinc/57/20/89/574572089.db2.gz VECMPQRXACWCRO-SSDOTTSWSA-N 0 0 312.293 3.160 20 10 DGCDRN O=C(OCCCOCCc1ccccc1)C1=CC(=O)CS1 ZINC000732353057 574572261 /nfs/dbraw/zinc/57/22/61/574572261.db2.gz LDEPBSGXRVPYPG-UHFFFAOYSA-N 0 0 306.383 3.260 20 10 DGCDRN CC[C@@H](Cc1ccccc1)C(=O)NCc1cccc(OC)c1O ZINC000732829580 574584233 /nfs/dbraw/zinc/58/42/33/574584233.db2.gz AXZOPRBEHQMDIO-HNNXBMFYSA-N 0 0 313.397 3.286 20 10 DGCDRN CC[C@H](OC1CCCC1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000733126554 574598777 /nfs/dbraw/zinc/59/87/77/574598777.db2.gz VMHVZAIQXVEBRK-SFHVURJKSA-N 0 0 318.461 3.449 20 10 DGCDRN COc1ccc(O)c(CNC(=S)Nc2ccc(C)cc2)c1 ZINC000733907183 574642531 /nfs/dbraw/zinc/64/25/31/574642531.db2.gz UXJFCMHNOXJWJA-UHFFFAOYSA-N 0 0 302.399 3.196 20 10 DGCDRN COc1ccc(O)c(CNC(=O)C2(c3cccc(C)c3)CC2)c1 ZINC000734017292 574648081 /nfs/dbraw/zinc/64/80/81/574648081.db2.gz AZXZAYVWSYAHRQ-UHFFFAOYSA-N 0 0 311.381 3.057 20 10 DGCDRN CCCC[C@H](CC)CNC(=O)NCc1cc(OC)ccc1O ZINC000734063529 574649079 /nfs/dbraw/zinc/64/90/79/574649079.db2.gz ICSMQJMUCWKCQA-ZDUSSCGKSA-N 0 0 308.422 3.416 20 10 DGCDRN COc1ccc(/C=C/C(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC000734403144 574659697 /nfs/dbraw/zinc/65/96/97/574659697.db2.gz WZEBPBINABKTIS-KPKJPENVSA-N 0 0 324.424 3.399 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000734687958 574672506 /nfs/dbraw/zinc/67/25/06/574672506.db2.gz ZQTZWYTYBKWOHG-KBPBESRZSA-N 0 0 303.450 3.249 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H](O)C(C)(C)C ZINC000735836909 574717289 /nfs/dbraw/zinc/71/72/89/574717289.db2.gz NPVMZBHNZFGDDM-QGZVFWFLSA-N 0 0 318.461 3.042 20 10 DGCDRN Cc1cc(O)c(CN2CC[S@](=O)[C@@H](C)[C@@H]2C)cc1C(C)C ZINC000736599211 574760368 /nfs/dbraw/zinc/76/03/68/574760368.db2.gz PJQSLLAWTGTZQY-RXSFTSLZSA-N 0 0 309.475 3.165 20 10 DGCDRN O=C([O-])[C@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000739597954 574908895 /nfs/dbraw/zinc/90/88/95/574908895.db2.gz IGZWTUZADKSYKT-NSHDSACASA-N 0 0 311.337 3.198 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000739922929 574915952 /nfs/dbraw/zinc/91/59/52/574915952.db2.gz RSVZDVCWKJKEEH-GASCZTMLSA-N 0 0 304.434 3.026 20 10 DGCDRN CSc1ccc(O[C@H](C)C(=O)NCc2ccccc2O)cc1 ZINC000740925266 574945855 /nfs/dbraw/zinc/94/58/55/574945855.db2.gz LQVIKNXFTFKMHV-GFCCVEGCSA-N 0 0 317.410 3.198 20 10 DGCDRN COc1ccc(N(Cc2cccs2)CC2OCCO2)cc1 ZINC000741156946 574952014 /nfs/dbraw/zinc/95/20/14/574952014.db2.gz AJZYJLZAKXRVOS-UHFFFAOYSA-N 0 0 305.399 3.136 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)c1ccco1 ZINC000741678739 574966478 /nfs/dbraw/zinc/96/64/78/574966478.db2.gz XHEQFYNVPUDXDY-AWEZNQCLSA-N 0 0 300.402 3.498 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc(C)ncn2)cc1 ZINC000741956176 574977928 /nfs/dbraw/zinc/97/79/28/574977928.db2.gz JZMZDKXOZUPYEN-UHFFFAOYSA-N 0 0 306.369 3.445 20 10 DGCDRN O=C(/C=C\c1cccnc1)NCc1ccc(N2CCCCC2)cc1 ZINC000742476199 575002018 /nfs/dbraw/zinc/00/20/18/575002018.db2.gz NEHOEBHITZFUPO-FLIBITNWSA-N 0 0 321.424 3.402 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCSC1 ZINC000742778685 575018884 /nfs/dbraw/zinc/01/88/84/575018884.db2.gz RIIHHRREWASHJE-GFCCVEGCSA-N 0 0 306.456 3.391 20 10 DGCDRN O=C(NCc1ccccc1O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000743328809 575043329 /nfs/dbraw/zinc/04/33/29/575043329.db2.gz VPUMGGMPOSLVIV-QWHCGFSZSA-N 0 0 303.308 3.090 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)c2ccc(C)o2)c1 ZINC000743335921 575043800 /nfs/dbraw/zinc/04/38/00/575043800.db2.gz DCGMBSFWGKEMRO-NWDGAFQWSA-N 0 0 303.358 3.283 20 10 DGCDRN Oc1cc2c(cc1CN1CC[C@H]1c1cccc(F)c1)OCO2 ZINC000743388441 575048200 /nfs/dbraw/zinc/04/82/00/575048200.db2.gz DNQCMDVEZWKENY-AWEZNQCLSA-N 0 0 301.317 3.207 20 10 DGCDRN Oc1cc2c(cc1CN1CCOC[C@@H]1c1ccccc1)CCC2 ZINC000743403719 575049944 /nfs/dbraw/zinc/04/99/44/575049944.db2.gz XGPCVQXXSGLNOZ-LJQANCHMSA-N 0 0 309.409 3.454 20 10 DGCDRN C[C@H](CNC(=O)NCc1ccccc1O)Cc1cccs1 ZINC000743643635 575060155 /nfs/dbraw/zinc/06/01/55/575060155.db2.gz IPNKXYONISBCRP-LBPRGKRZSA-N 0 0 304.415 3.132 20 10 DGCDRN Cc1ccc(CC[C@@H](C)NC(=O)NCc2ccccc2O)o1 ZINC000743672303 575060469 /nfs/dbraw/zinc/06/04/69/575060469.db2.gz IBFGRJHKNOXNSD-GFCCVEGCSA-N 0 0 302.374 3.114 20 10 DGCDRN CSC(C)(C)CNC(=O)NCc1ccc(N(C)C)cc1C ZINC000743710536 575061938 /nfs/dbraw/zinc/06/19/38/575061938.db2.gz VXWZZGCZELDBMT-UHFFFAOYSA-N 0 0 309.479 3.002 20 10 DGCDRN CCC[C@](C)(O)CNC(=O)c1sccc1-n1c(C)ccc1C ZINC000743771490 575063204 /nfs/dbraw/zinc/06/32/04/575063204.db2.gz FJNWGHBMRNSIJT-KRWDZBQOSA-N 0 0 320.458 3.437 20 10 DGCDRN CC(C)C1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000743810290 575063951 /nfs/dbraw/zinc/06/39/51/575063951.db2.gz ROWFDPJIOHQECN-UHFFFAOYSA-N 0 0 303.450 3.330 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCCC(C)(C)CC2)cc1 ZINC000743811404 575064027 /nfs/dbraw/zinc/06/40/27/575064027.db2.gz SWMXYINSAGQKTG-UHFFFAOYSA-N 0 0 303.450 3.474 20 10 DGCDRN CC[C@@]1(C)CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000743814046 575064312 /nfs/dbraw/zinc/06/43/12/575064312.db2.gz QBHXDBCXFXNKML-SFHVURJKSA-N 0 0 303.450 3.474 20 10 DGCDRN COc1ccc(N(C)Cc2c(F)cccc2[N+](=O)[O-])cc1OC ZINC000728916963 575194337 /nfs/dbraw/zinc/19/43/37/575194337.db2.gz UWPJXQGFKIDCJI-UHFFFAOYSA-N 0 0 320.320 3.388 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2c(C)noc2C(C)C)c1 ZINC000729279786 575232056 /nfs/dbraw/zinc/23/20/56/575232056.db2.gz CEJZGLAEDVTDLS-SNVBAGLBSA-N 0 0 318.373 3.312 20 10 DGCDRN COc1ccc(N(CC(=O)N[C@@H](C)C(C)C)CC(C)C)cc1 ZINC000729475660 575251257 /nfs/dbraw/zinc/25/12/57/575251257.db2.gz UYABKQIOILKQBA-HNNXBMFYSA-N 0 0 306.450 3.318 20 10 DGCDRN C[C@@H]1CCC[C@H]1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000729506950 575253556 /nfs/dbraw/zinc/25/35/56/575253556.db2.gz ANKMYEAFTSOXDH-CZUORRHYSA-N 0 0 301.434 3.057 20 10 DGCDRN Cn1c(-c2ccccc2)cnc1SCC(=O)NCC(C)(C)C ZINC000729526327 575254291 /nfs/dbraw/zinc/25/42/91/575254291.db2.gz YGMKRTHBPCVREH-UHFFFAOYSA-N 0 0 317.458 3.342 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(F)ccc2OC)c1 ZINC000729537133 575254715 /nfs/dbraw/zinc/25/47/15/575254715.db2.gz ZBCHGOYQOHQOLU-SNVBAGLBSA-N 0 0 319.332 3.040 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)C2(c3ccccc3)CC2)c1 ZINC000729534667 575254909 /nfs/dbraw/zinc/25/49/09/575254909.db2.gz AOIRBDJKFKFJSN-ZDUSSCGKSA-N 0 0 311.381 3.310 20 10 DGCDRN O=C(/C=C/c1cncc(F)c1)N1CCc2cccc(Cl)c21 ZINC000729652053 575259477 /nfs/dbraw/zinc/25/94/77/575259477.db2.gz LVVSLDKYBJWYGH-SNAWJCMRSA-N 0 0 302.736 3.477 20 10 DGCDRN COc1cccc(CNC(=O)c2sccc2C2CC2)c1O ZINC000729858943 575264778 /nfs/dbraw/zinc/26/47/78/575264778.db2.gz HOIIENVYWZAODG-UHFFFAOYSA-N 0 0 303.383 3.270 20 10 DGCDRN COc1cccc(CNC(=O)c2c[nH]cc2-c2ccccc2)c1O ZINC000729859215 575264934 /nfs/dbraw/zinc/26/49/34/575264934.db2.gz MMZWUPZDZLDQIN-UHFFFAOYSA-N 0 0 322.364 3.326 20 10 DGCDRN CCN(CC)c1ccc(CN(C)Cc2nccn2CC)cc1 ZINC000730081744 575274338 /nfs/dbraw/zinc/27/43/38/575274338.db2.gz XWVGKOYXJXNVDI-UHFFFAOYSA-N 0 0 300.450 3.381 20 10 DGCDRN CCN(Cc1nc(CC(F)(F)F)no1)c1ccc(OC)cc1 ZINC000744392106 575339394 /nfs/dbraw/zinc/33/93/94/575339394.db2.gz SZZWKCJHPJWOIZ-UHFFFAOYSA-N 0 0 315.295 3.210 20 10 DGCDRN C[C@H]1CN(Cc2cc3c(cc2O)CCC3)C[C@H](C(F)(F)F)O1 ZINC000744445455 575343181 /nfs/dbraw/zinc/34/31/81/575343181.db2.gz VSNUVRIRHMXFDV-ZUZCIYMTSA-N 0 0 315.335 3.033 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](C)CC[C@H]1C ZINC000745828140 575419379 /nfs/dbraw/zinc/41/93/79/575419379.db2.gz OMGHPAQNOJTUFC-UKRRQHHQSA-N 0 0 303.450 3.391 20 10 DGCDRN CCN(C)C(=O)CNc1cc2oc3ccccc3c2cc1OC ZINC000746091843 575432150 /nfs/dbraw/zinc/43/21/50/575432150.db2.gz ZWWPBPITEUWORA-UHFFFAOYSA-N 0 0 312.369 3.485 20 10 DGCDRN CCN(CC(=O)Nc1ccccc1OC)c1ccc(OC)cc1 ZINC000746109111 575433204 /nfs/dbraw/zinc/43/32/04/575433204.db2.gz JTSYKLGNLTUJSH-UHFFFAOYSA-N 0 0 314.385 3.169 20 10 DGCDRN COc1ccc(N(CC(=O)Nc2cc(C)no2)CC(C)C)cc1 ZINC000746169888 575437296 /nfs/dbraw/zinc/43/72/96/575437296.db2.gz DLPWXBBFZZCTQV-UHFFFAOYSA-N 0 0 317.389 3.093 20 10 DGCDRN Cc1noc(C(F)F)c1C(=O)NCc1ccc(N(C)C)cc1C ZINC000746272055 575442666 /nfs/dbraw/zinc/44/26/66/575442666.db2.gz IWLSIMWGSYBHCU-UHFFFAOYSA-N 0 0 323.343 3.225 20 10 DGCDRN Cc1ccc(CCC(=O)NCc2ccc(N3CCCC3)cc2)o1 ZINC000746589735 575463556 /nfs/dbraw/zinc/46/35/56/575463556.db2.gz XVDIFJACROSVBZ-UHFFFAOYSA-N 0 0 312.413 3.437 20 10 DGCDRN C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000746718475 575471798 /nfs/dbraw/zinc/47/17/98/575471798.db2.gz JBVXVWWINDTGSJ-RHSMWYFYSA-N 0 0 315.461 3.447 20 10 DGCDRN C[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000746718477 575471869 /nfs/dbraw/zinc/47/18/69/575471869.db2.gz JBVXVWWINDTGSJ-YOEHRIQHSA-N 0 0 315.461 3.447 20 10 DGCDRN CC[C@@H](C)[C@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000746724440 575472329 /nfs/dbraw/zinc/47/23/29/575472329.db2.gz GCFKIYHHWUAOGV-KGLIPLIRSA-N 0 0 303.450 3.303 20 10 DGCDRN Cc1ccc(CC(=O)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000746798693 575475895 /nfs/dbraw/zinc/47/58/95/575475895.db2.gz QBBFAYNJZLGIQD-UHFFFAOYSA-N 0 0 300.377 3.059 20 10 DGCDRN CN(C)c1ccc(CNC(=O)/C=C\c2cccs2)cc1F ZINC000746798980 575476031 /nfs/dbraw/zinc/47/60/31/575476031.db2.gz UPEKQYXBQZIZIA-VURMDHGXSA-N 0 0 304.390 3.283 20 10 DGCDRN COc1ccc([C@H](C)NC(=O)N(C)Cc2ccccc2O)cc1 ZINC000746963845 575486511 /nfs/dbraw/zinc/48/65/11/575486511.db2.gz WOKNIQJQACXTJO-ZDUSSCGKSA-N 0 0 314.385 3.303 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cccc2[nH]ccc21 ZINC000747397039 575515709 /nfs/dbraw/zinc/51/57/09/575515709.db2.gz FHISNGWHECVCOP-UHFFFAOYSA-N 0 0 307.397 3.472 20 10 DGCDRN COc1ccc(N(CC(C)C)C[C@@H](O)COCC(C)C)cc1 ZINC000747683174 575532391 /nfs/dbraw/zinc/53/23/91/575532391.db2.gz SHPXDEBBYXYDNH-QGZVFWFLSA-N 0 0 309.450 3.191 20 10 DGCDRN COc1cccc(CNC(=S)Nc2ccc(C)cc2C)n1 ZINC000748044585 575558316 /nfs/dbraw/zinc/55/83/16/575558316.db2.gz HETILTUNLVCRGB-UHFFFAOYSA-N 0 0 301.415 3.194 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCOc3ccccc32)c1O ZINC000748050952 575558947 /nfs/dbraw/zinc/55/89/47/575558947.db2.gz IWIMEPHEIFLHID-UHFFFAOYSA-N 0 0 301.317 3.133 20 10 DGCDRN CCO[C@@H]1C[C@H](NC(=O)C2=CC(=O)CS2)C12CCCCC2 ZINC000748339397 575581278 /nfs/dbraw/zinc/58/12/78/575581278.db2.gz NKVDHRUSEKSYFL-UONOGXRCSA-N 0 0 309.431 3.311 20 10 DGCDRN Cc1ccc(Cl)c(O[C@@H](C)C(=O)NCc2ccccc2O)c1 ZINC000748344745 575581367 /nfs/dbraw/zinc/58/13/67/575581367.db2.gz BCFULJUVFQAHDY-LBPRGKRZSA-N 0 0 319.788 3.438 20 10 DGCDRN COc1ccc(Cl)cc1NC(=O)NCc1ccccc1O ZINC000748437862 575586509 /nfs/dbraw/zinc/58/65/09/575586509.db2.gz AUHGZPDYCBOKLF-UHFFFAOYSA-N 0 0 306.749 3.376 20 10 DGCDRN COc1cc(C)c(NC(=O)NCc2ccccc2O)cc1OC ZINC000748438305 575586529 /nfs/dbraw/zinc/58/65/29/575586529.db2.gz HTJHCRXCKQCWQZ-UHFFFAOYSA-N 0 0 316.357 3.040 20 10 DGCDRN Cc1cc(C)c(CCNC(=O)NCc2ccccc2O)c(C)c1 ZINC000748461278 575588557 /nfs/dbraw/zinc/58/85/57/575588557.db2.gz URWYSVLOJCKKIR-UHFFFAOYSA-N 0 0 312.413 3.359 20 10 DGCDRN CCc1ccc(O)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000748829509 575610406 /nfs/dbraw/zinc/61/04/06/575610406.db2.gz HQKHEYDJGOOBLJ-UHFFFAOYSA-N 0 0 312.413 3.293 20 10 DGCDRN CCCCO[C@H]1C[C@H](NC(=O)NCc2ccccc2O)C1(C)C ZINC000748958727 575617425 /nfs/dbraw/zinc/61/74/25/575617425.db2.gz GRRSOMQLEYHWJQ-HOTGVXAUSA-N 0 0 320.433 3.175 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@H]2CCC(C)(C)C[C@@H]2C)c1 ZINC000748972337 575619229 /nfs/dbraw/zinc/61/92/29/575619229.db2.gz PUZVEYROGVOSFL-WFASDCNBSA-N 0 0 320.433 3.415 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(C)ns2)c1 ZINC000749231861 575637052 /nfs/dbraw/zinc/63/70/52/575637052.db2.gz DQKXMNHDUPBGLP-VIFPVBQESA-N 0 0 307.375 3.048 20 10 DGCDRN CCn1c2cccc(F)c2nc1/C(Cl)=C/c1cnnn1C ZINC000751031981 575768400 /nfs/dbraw/zinc/76/84/00/575768400.db2.gz MQAAEBCSPAFLDK-YFHOEESVSA-N 0 0 305.744 3.061 20 10 DGCDRN CC(C)=C(C)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000751200908 575775355 /nfs/dbraw/zinc/77/53/55/575775355.db2.gz YFVYDJBQEXUNJO-MRXNPFEDSA-N 0 0 303.402 3.256 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)[C@H]1CCCS1 ZINC000751301757 575779287 /nfs/dbraw/zinc/77/92/87/575779287.db2.gz GZKDDABSRSQBTE-CYBMUJFWSA-N 0 0 324.409 3.230 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc[nH]c2=O)cc1 ZINC000751397837 575783483 /nfs/dbraw/zinc/78/34/83/575783483.db2.gz BBCFWTIAWDLHGE-UHFFFAOYSA-N 0 0 307.353 3.447 20 10 DGCDRN Cc1ccc(C(=O)Nc2nc3ccccc3s2)c(O)c1O ZINC000751533938 575789444 /nfs/dbraw/zinc/78/94/44/575789444.db2.gz TVJOIFJRPCMUPO-UHFFFAOYSA-N 0 0 300.339 3.268 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CC[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000751968559 575815386 /nfs/dbraw/zinc/81/53/86/575815386.db2.gz OQGWNEVBOATVIW-ZADDAZQUSA-N 0 0 304.346 3.016 20 10 DGCDRN CCCCC[C@H](C)NC(=O)CN(C)c1ccc(OC)cc1OC ZINC000752112153 575823688 /nfs/dbraw/zinc/82/36/88/575823688.db2.gz OMWFBTYYJZNAND-AWEZNQCLSA-N 0 0 322.449 3.225 20 10 DGCDRN COc1cccc(OCCN(C)c2ccc(OC)cc2OC)c1 ZINC000752108914 575823772 /nfs/dbraw/zinc/82/37/72/575823772.db2.gz DHQMSQPEPPDMFL-UHFFFAOYSA-N 0 0 317.385 3.228 20 10 DGCDRN CCC/C=C\C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000752151506 575825003 /nfs/dbraw/zinc/82/50/03/575825003.db2.gz JCYFEULXWFXJBE-QNYYUSOESA-N 0 0 303.402 3.256 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CC(Cc3ccccc3)C2)cc1 ZINC000752268544 575830347 /nfs/dbraw/zinc/83/03/47/575830347.db2.gz ORHIDCAVGWRWAH-UHFFFAOYSA-N 0 0 323.440 3.137 20 10 DGCDRN Cn1cc(/C=C/C(=O)N2CC3(CCC3)c3c2cccc3F)cn1 ZINC000726151277 576010629 /nfs/dbraw/zinc/01/06/29/576010629.db2.gz DGHCCRGZGHOXJD-VOTSOKGWSA-N 0 0 311.360 3.041 20 10 DGCDRN O=C(NCCCc1cccc(Cl)c1)NCc1ccccc1O ZINC000726249198 576014320 /nfs/dbraw/zinc/01/43/20/576014320.db2.gz FXLXNTMBJHJWHP-UHFFFAOYSA-N 0 0 318.804 3.478 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cccc(F)c2F)cc1F ZINC000726505100 576028945 /nfs/dbraw/zinc/02/89/45/576028945.db2.gz OYOCAWBQVYJWDC-UHFFFAOYSA-N 0 0 308.303 3.100 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)C2(C)CCOCC2)cc1 ZINC000726752694 576039999 /nfs/dbraw/zinc/03/99/99/576039999.db2.gz QGYOFLHMWYKKKR-UHFFFAOYSA-N 0 0 318.461 3.308 20 10 DGCDRN CCOc1ccc(NC(=S)NCc2cccc(F)n2)cc1 ZINC000747721024 576042293 /nfs/dbraw/zinc/04/22/93/576042293.db2.gz JZBZOGCBHOZLCG-UHFFFAOYSA-N 0 0 305.378 3.106 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)NC2CCCCCC2)cc1 ZINC000739922241 576051763 /nfs/dbraw/zinc/05/17/63/576051763.db2.gz DFLBMLAOFOQBFX-UHFFFAOYSA-N 0 0 304.434 3.361 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)N[C@H]2CCCC[C@@H]2C)cc1 ZINC000739926606 576053155 /nfs/dbraw/zinc/05/31/55/576053155.db2.gz IJSMXBSOGKRPSI-YOEHRIQHSA-N 0 0 304.434 3.216 20 10 DGCDRN O=C1NN(c2ccccc2)C(=O)/C1=C/c1csc2ccccc12 ZINC000728700229 576195609 /nfs/dbraw/zinc/19/56/09/576195609.db2.gz ZPONXTGJQWELRJ-XNTDXEJSSA-N 0 0 320.373 3.363 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)NC[C@H]2C[C@@H]2C)cc1 ZINC000916639643 620640627 /nfs/dbraw/zinc/64/06/27/620640627.db2.gz OFANGZWBEQCSRR-GOEBONIOSA-N 0 0 303.450 3.330 20 10 DGCDRN Cc1cc(CN2CCOc3ccc(O)cc3C2)ccc1N(C)C ZINC000852689201 620641046 /nfs/dbraw/zinc/64/10/46/620641046.db2.gz UYCWVWUREJMPQW-UHFFFAOYSA-N 0 0 312.413 3.161 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2cc(F)c(F)c(F)c2)cc1 ZINC000154119924 620641833 /nfs/dbraw/zinc/64/18/33/620641833.db2.gz MNBAGMXDDNVVCF-UHFFFAOYSA-N 0 0 323.318 3.492 20 10 DGCDRN C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000852741118 620644698 /nfs/dbraw/zinc/64/46/98/620644698.db2.gz FPWMMPDSKIOZMH-IUODEOHRSA-N 0 0 316.367 3.294 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCC[C@H]1CCCO1 ZINC000917485184 620670336 /nfs/dbraw/zinc/67/03/36/620670336.db2.gz AJEOHTFWXXNIHS-CQSZACIVSA-N 0 0 318.442 3.455 20 10 DGCDRN CC1CCN(c2ccc(CNc3cnc(F)cn3)cc2)CC1 ZINC000853300226 620685197 /nfs/dbraw/zinc/68/51/97/620685197.db2.gz GDXLRZFKTDNCNS-UHFFFAOYSA-N 0 0 300.381 3.464 20 10 DGCDRN CSCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000917954011 620688882 /nfs/dbraw/zinc/68/88/82/620688882.db2.gz BKVRLMGOIUSZEQ-UHFFFAOYSA-N 0 0 303.383 3.369 20 10 DGCDRN C[C@H]1C[C@H](C)CN(C(=O)NCCCSc2nccs2)C1 ZINC000154593866 620690987 /nfs/dbraw/zinc/69/09/87/620690987.db2.gz MBLYNGIUBGIZHA-RYUDHWBXSA-N 0 0 313.492 3.313 20 10 DGCDRN CCCN(CC(F)F)C(=O)NCCCSc1nccs1 ZINC000154618012 620693647 /nfs/dbraw/zinc/69/36/47/620693647.db2.gz DFPLCFGUGYVCLW-UHFFFAOYSA-N 0 0 323.434 3.312 20 10 DGCDRN CCC1(C(=O)N2CCN(c3ccc(OC)cc3)CC2)CCCC1 ZINC000154650225 620698492 /nfs/dbraw/zinc/69/84/92/620698492.db2.gz RNSQUOHBJUAJQB-UHFFFAOYSA-N 0 0 316.445 3.314 20 10 DGCDRN CCCN(CC1CC1)C(=O)NCCCSc1nccs1 ZINC000154675079 620702492 /nfs/dbraw/zinc/70/24/92/620702492.db2.gz OABFIWWKWWALBK-UHFFFAOYSA-N 0 0 313.492 3.457 20 10 DGCDRN COCCN(C)C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000918672276 620718432 /nfs/dbraw/zinc/71/84/32/620718432.db2.gz MMDBZUMIFONRMN-UHFFFAOYSA-N 0 0 320.820 3.466 20 10 DGCDRN CC(C)(CNC(=O)NCc1c(O)cccc1F)c1cccs1 ZINC000918761092 620724303 /nfs/dbraw/zinc/72/43/03/620724303.db2.gz FROAOYQUBMNHJD-UHFFFAOYSA-N 0 0 322.405 3.370 20 10 DGCDRN COc1ccc(N2CC[C@H](Nc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000853759306 620734448 /nfs/dbraw/zinc/73/44/48/620734448.db2.gz RXGAHZXXNXWCSG-AWEZNQCLSA-N 0 0 313.357 3.294 20 10 DGCDRN CCOc1cccc(CN2CCOc3ccc(OC)cc32)c1O ZINC000154877132 620733877 /nfs/dbraw/zinc/73/38/77/620733877.db2.gz OGYJXMIHUUMHQG-UHFFFAOYSA-N 0 0 315.369 3.199 20 10 DGCDRN COc1ccc(N2CC[C@H](Nc3nc(C(C)C)ns3)C2)cc1 ZINC000853759095 620734285 /nfs/dbraw/zinc/73/42/85/620734285.db2.gz PAXOVRWHTRUXGE-LBPRGKRZSA-N 0 0 318.446 3.361 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCS[C@H](C)C1 ZINC000919080727 620735724 /nfs/dbraw/zinc/73/57/24/620735724.db2.gz FVPJLMBFADMULF-HIFRSBDPSA-N 0 0 321.490 3.144 20 10 DGCDRN COc1cccc(CNC(=O)/C=C(/C)c2cccc(F)c2)c1O ZINC000111597755 620737132 /nfs/dbraw/zinc/73/71/32/620737132.db2.gz SSSIVNXBPMULLR-XFXZXTDPSA-N 0 0 315.344 3.260 20 10 DGCDRN CC[C@H](C(=O)NCc1cccc(Cl)c1O)c1c(C)noc1C ZINC000890757480 617655825 /nfs/dbraw/zinc/65/58/25/617655825.db2.gz FFBVOQMABKUFTP-LBPRGKRZSA-N 0 0 322.792 3.460 20 10 DGCDRN CCS[C@H](C(=O)NCc1cccc(Cl)c1O)C(C)C ZINC000890757893 617656036 /nfs/dbraw/zinc/65/60/36/617656036.db2.gz MBFNSUOININVKW-ZDUSSCGKSA-N 0 0 301.839 3.440 20 10 DGCDRN Cn1cc(C(=O)NCc2cccc(Cl)c2O)c(C(C)(C)C)n1 ZINC000890759672 617656372 /nfs/dbraw/zinc/65/63/72/617656372.db2.gz GWWHEFJHIAGGCN-UHFFFAOYSA-N 0 0 321.808 3.007 20 10 DGCDRN CO[C@H]1CCC[C@H](CC(=O)NCc2cccc(Cl)c2O)C1 ZINC000890759126 617656421 /nfs/dbraw/zinc/65/64/21/617656421.db2.gz DDNTWSTYTKHZMK-AAEUAGOBSA-N 0 0 311.809 3.257 20 10 DGCDRN CC[C@H](OC1CCCC1)C(=O)NCc1cccc(Cl)c1O ZINC000890759340 617656549 /nfs/dbraw/zinc/65/65/49/617656549.db2.gz ADFFJMIJOZUQSO-AWEZNQCLSA-N 0 0 311.809 3.400 20 10 DGCDRN Cc1noc(C)c1[C@@H](C)CC(=O)NCc1cccc(Cl)c1O ZINC000890759619 617656634 /nfs/dbraw/zinc/65/66/34/617656634.db2.gz FHQSGTCOLWXQKW-VIFPVBQESA-N 0 0 322.792 3.460 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1CCCC(F)(F)C1 ZINC000890759979 617656945 /nfs/dbraw/zinc/65/69/45/617656945.db2.gz XTKCJGMISDSAEP-SECBINFHSA-N 0 0 303.736 3.487 20 10 DGCDRN O=C(C[C@H]1CCC2(CCC2)CO1)NCc1cccc(Cl)c1O ZINC000890763203 617658415 /nfs/dbraw/zinc/65/84/15/617658415.db2.gz RNGMDQGNKVXFFQ-CYBMUJFWSA-N 0 0 323.820 3.401 20 10 DGCDRN Cc1cc(C(=O)NCc2cc(Br)ccc2O)c(C)o1 ZINC000804736525 617661940 /nfs/dbraw/zinc/66/19/40/617661940.db2.gz WZLJJKAINBTGJS-UHFFFAOYSA-N 0 0 324.174 3.295 20 10 DGCDRN C[C@H](C(=O)NCc1cc(Br)ccc1O)C(C)(C)C ZINC000804734043 617662108 /nfs/dbraw/zinc/66/21/08/617662108.db2.gz AMXWCBSFATUSPV-SECBINFHSA-N 0 0 314.223 3.453 20 10 DGCDRN O=[N+]([O-])c1ncccc1NCc1cc(Br)ccc1O ZINC000804828577 617680159 /nfs/dbraw/zinc/68/01/59/617680159.db2.gz SAAQRCSSKBIWMA-UHFFFAOYSA-N 0 0 324.134 3.070 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCC[C@@H]2C[C@H]2C2CC2)c1 ZINC000924334008 617715997 /nfs/dbraw/zinc/71/59/97/617715997.db2.gz AGKGPTFKYPNVTA-GHJWDPDVSA-N 0 0 318.417 3.197 20 10 DGCDRN CCn1nc(C)c([N+](=O)[O-])c1Sc1ncc(Cl)s1 ZINC000853965494 620757937 /nfs/dbraw/zinc/75/79/37/620757937.db2.gz XZWHLYKAFOQKHQ-UHFFFAOYSA-N 0 0 304.784 3.381 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)/C=C\c2ccsc2)cc1 ZINC000919711158 620761635 /nfs/dbraw/zinc/76/16/35/620761635.db2.gz XXAVYFLTYUGKPV-TWGQIWQCSA-N 0 0 300.427 3.486 20 10 DGCDRN CC(C)n1ncc2c1nc(Cl)nc2NCc1ccccc1O ZINC000892161396 617977477 /nfs/dbraw/zinc/97/74/77/617977477.db2.gz LOKXZPALLPADQI-UHFFFAOYSA-N 0 0 317.780 3.378 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000889011244 617981433 /nfs/dbraw/zinc/98/14/33/617981433.db2.gz NWZLIQRSNVLHOQ-ZXFUBFMLSA-N 0 0 318.486 3.351 20 10 DGCDRN Nc1ccc(Cc2noc(CC[C@H]3CC3(Cl)Cl)n2)cc1 ZINC000854135038 620772837 /nfs/dbraw/zinc/77/28/37/620772837.db2.gz WHODYCXPKWBMLP-JTQLQIEISA-N 0 0 312.200 3.369 20 10 DGCDRN C[C@H]1CCC[C@H](CNC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000919896656 620770977 /nfs/dbraw/zinc/77/09/77/620770977.db2.gz HODOCISTJIETSR-HOCLYGCPSA-N 0 0 303.450 3.378 20 10 DGCDRN CO[C@H]1CC[C@@H]1N(C)C(=O)c1sccc1-n1c(C)ccc1C ZINC000889355880 618035491 /nfs/dbraw/zinc/03/54/91/618035491.db2.gz KFCVLPCHOIRDFF-ZFWWWQNUSA-N 0 0 318.442 3.405 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCC2CC=CC2)c1 ZINC000926710315 618093800 /nfs/dbraw/zinc/09/38/00/618093800.db2.gz IWRDNVPDKHFSKB-GFCCVEGCSA-N 0 0 304.390 3.117 20 10 DGCDRN COCCN(C)C(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000919989586 620776084 /nfs/dbraw/zinc/77/60/84/620776084.db2.gz ZIAPCJSBQIKHDP-UHFFFAOYSA-N 0 0 320.820 3.466 20 10 DGCDRN CCNC(=O)c1ccc(NCc2ccc(N(C)C)cc2C)cc1 ZINC000840885773 618126011 /nfs/dbraw/zinc/12/60/11/618126011.db2.gz ZYXYMKIDOMPHGV-UHFFFAOYSA-N 0 0 311.429 3.423 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC2CC1(C)C2 ZINC000854177521 620779433 /nfs/dbraw/zinc/77/94/33/620779433.db2.gz YJMXOBXMCUNOCQ-TZGCNFNXSA-N 0 0 315.461 3.186 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC2CC1(C)C2 ZINC000854177522 620779497 /nfs/dbraw/zinc/77/94/97/620779497.db2.gz YJMXOBXMCUNOCQ-XVTSOASTSA-N 0 0 315.461 3.186 20 10 DGCDRN Cc1c(C(=O)N(C)Cc2ccccc2O)cnn1-c1ccccc1 ZINC000112114409 620791321 /nfs/dbraw/zinc/79/13/21/620791321.db2.gz XVZVHOGOAXAJCE-UHFFFAOYSA-N 0 0 321.380 3.159 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCc2ccc(F)c(F)c2)cc1 ZINC000920338376 620796627 /nfs/dbraw/zinc/79/66/27/620796627.db2.gz SRELNPBVYYTPIJ-UHFFFAOYSA-N 0 0 319.355 3.030 20 10 DGCDRN COc1ccc(OC)c(CN(C)c2ccc(OC)c(OC)c2)c1 ZINC000920418948 620800276 /nfs/dbraw/zinc/80/02/76/620800276.db2.gz YKCMCZIKPFQJPO-UHFFFAOYSA-N 0 0 317.385 3.357 20 10 DGCDRN CC[C@@H](C)c1nnc([C@H](C)NCc2cc(C)cc(OC)c2O)[nH]1 ZINC000894554915 618384845 /nfs/dbraw/zinc/38/48/45/618384845.db2.gz BPFVCVRBZZSHNF-NEPJUHHUSA-N 0 0 318.421 3.192 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[NH+]1CC(C2CC2)C1 ZINC000894813303 618463893 /nfs/dbraw/zinc/46/38/93/618463893.db2.gz OGZFQUILXNAZGA-UHFFFAOYSA-N 0 0 300.171 3.136 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000894885367 618488171 /nfs/dbraw/zinc/48/81/71/618488171.db2.gz BPDXNFGRTRKGGN-BMFZPTHFSA-N 0 0 311.372 3.186 20 10 DGCDRN Cc1nccnc1N(C)C(=O)/C=C\c1cnc(C(C)(C)C)s1 ZINC000893287623 618497059 /nfs/dbraw/zinc/49/70/59/618497059.db2.gz OXJJVVPIWAIEFR-SREVYHEPSA-N 0 0 316.430 3.215 20 10 DGCDRN Cc1nn(C)c2nc(N3Cc4cccc(O)c4C3)cc(Cl)c12 ZINC000894991325 618507368 /nfs/dbraw/zinc/50/73/68/618507368.db2.gz NOQUMGIDQLAYJU-UHFFFAOYSA-N 0 0 314.776 3.156 20 10 DGCDRN CC(C)[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C1(CO)CC=CC1 ZINC000895083347 618533000 /nfs/dbraw/zinc/53/30/00/618533000.db2.gz DJFAWSUZIYYJSG-INIZCTEOSA-N 0 0 311.372 3.113 20 10 DGCDRN CCNC(=S)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000015156164 618536047 /nfs/dbraw/zinc/53/60/47/618536047.db2.gz IYABDTQLBZARIK-UHFFFAOYSA-N 0 0 301.459 3.121 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCO[C@@H](C)CC1 ZINC000928533547 618537880 /nfs/dbraw/zinc/53/78/80/618537880.db2.gz SQECCQXLTHLYAB-AWEZNQCLSA-N 0 0 318.442 3.407 20 10 DGCDRN COc1ccc(N(C)CCN(C)Cc2nc(C(C)C)c[nH]2)cc1 ZINC000895136671 618549225 /nfs/dbraw/zinc/54/92/25/618549225.db2.gz FPLYCFKIBAYXGS-UHFFFAOYSA-N 0 0 316.449 3.110 20 10 DGCDRN CN(C)c1cc(F)c(CNCc2cnc(Cl)s2)cc1F ZINC000895150750 618555074 /nfs/dbraw/zinc/55/50/74/618555074.db2.gz CQYISEBFFQMLCX-UHFFFAOYSA-N 0 0 317.792 3.431 20 10 DGCDRN CCOc1ccc(CN(C)c2cc(OC)c(OC)c(OC)c2)o1 ZINC000893459568 618562552 /nfs/dbraw/zinc/56/25/52/618562552.db2.gz AWDXFTLWFKBIKF-UHFFFAOYSA-N 0 0 321.373 3.341 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)NC[C@H]1CCCC1(F)F ZINC000895179458 618567989 /nfs/dbraw/zinc/56/79/89/618567989.db2.gz QPQPAIWNSPKCMG-SNVBAGLBSA-N 0 0 318.751 3.280 20 10 DGCDRN C[C@@]1(CNC(=O)NCc2cccc(Cl)c2O)CCCS1 ZINC000893631382 618622985 /nfs/dbraw/zinc/62/29/85/618622985.db2.gz SJBKLQQBRIWUQB-AWEZNQCLSA-N 0 0 314.838 3.131 20 10 DGCDRN C[C@]1(CNC(=O)NCc2cccc(Cl)c2O)CCCS1 ZINC000893631383 618623116 /nfs/dbraw/zinc/62/31/16/618623116.db2.gz SJBKLQQBRIWUQB-CQSZACIVSA-N 0 0 314.838 3.131 20 10 DGCDRN O=C(NCCCSc1nccs1)N1CCC=C(Cl)C1 ZINC000893641422 618627877 /nfs/dbraw/zinc/62/78/77/618627877.db2.gz GLWBAVIJJCTMDG-UHFFFAOYSA-N 0 0 317.867 3.163 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]Cc2c(C)ccnc2N)cc1F ZINC000894252671 618740338 /nfs/dbraw/zinc/74/03/38/618740338.db2.gz MLKNTAFWTJLTMK-UHFFFAOYSA-N 0 0 316.424 3.247 20 10 DGCDRN C[C@H](NC(=O)N1CCCSC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000894284986 618752231 /nfs/dbraw/zinc/75/22/31/618752231.db2.gz IEWXBOMZTMKNBB-KGLIPLIRSA-N 0 0 321.490 3.351 20 10 DGCDRN CO[C@H](C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC(C)C ZINC000841889027 618776843 /nfs/dbraw/zinc/77/68/43/618776843.db2.gz YBJXSCWGFFTHDW-LBPRGKRZSA-N 0 0 316.785 3.105 20 10 DGCDRN Cc1cc(Br)c(O)c(CN2CC[C@@H]2C(F)F)c1 ZINC000895431293 618782534 /nfs/dbraw/zinc/78/25/34/618782534.db2.gz KYRCXRQSPWTXSC-SNVBAGLBSA-N 0 0 306.150 3.303 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@H](O)C[C@H]1c1ccccc1 ZINC000895422799 618783532 /nfs/dbraw/zinc/78/35/32/618783532.db2.gz OITWFUTZIWQABA-RDJZCZTQSA-N 0 0 319.351 3.368 20 10 DGCDRN CCCCO[C@@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)C1(C)C ZINC000841299529 618790857 /nfs/dbraw/zinc/79/08/57/618790857.db2.gz IJDUNLVHJGDMMC-HUUCEWRRSA-N 0 0 305.422 3.374 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2cncc(F)c2Cl)cc1 ZINC000895485300 618792183 /nfs/dbraw/zinc/79/21/83/618792183.db2.gz PEJQDPNQBDNJON-UHFFFAOYSA-N 0 0 321.783 3.212 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)C2C[C@H]3CC[C@@H](C2)S3)cc1 ZINC000895485064 618792197 /nfs/dbraw/zinc/79/21/97/618792197.db2.gz IIBOTCYLVTZYPR-ZXFUBFMLSA-N 0 0 318.486 3.385 20 10 DGCDRN CC(C)([NH2+]Cc1ccc(F)c(F)c1[O-])[C@H](O)c1ccccc1 ZINC000895663602 618814217 /nfs/dbraw/zinc/81/42/17/618814217.db2.gz YZIYZAWJYPVNJB-MRXNPFEDSA-N 0 0 307.340 3.272 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1nc2c(s1)CCC2 ZINC000896287471 618897073 /nfs/dbraw/zinc/89/70/73/618897073.db2.gz MPCGKMBKRKUCDQ-UHFFFAOYSA-N 0 0 312.797 3.420 20 10 DGCDRN COc1cc(C)c(C[NH2+]Cc2c([O-])cccc2F)cc1OC ZINC000896642481 618938106 /nfs/dbraw/zinc/93/81/06/618938106.db2.gz XRSZXSTYJHMPKV-UHFFFAOYSA-N 0 0 305.349 3.147 20 10 DGCDRN COc1cc2c(cc1C[NH2+]Cc1c([O-])cccc1F)O[C@@H](C)C2 ZINC000896639242 618939810 /nfs/dbraw/zinc/93/98/10/618939810.db2.gz BJPOXHQALNVRAI-NSHDSACASA-N 0 0 317.360 3.153 20 10 DGCDRN CC[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCS1 ZINC000896751777 618953993 /nfs/dbraw/zinc/95/39/93/618953993.db2.gz PBTDDOOYKHJFKN-SNVBAGLBSA-N 0 0 323.439 3.280 20 10 DGCDRN CC(C)[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1cnn(C)c1 ZINC000897080785 619012061 /nfs/dbraw/zinc/01/20/61/619012061.db2.gz CASYXLQYYKXASX-AWEZNQCLSA-N 0 0 311.788 3.405 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1cccc2c1OCC2 ZINC000897206803 619028904 /nfs/dbraw/zinc/02/89/04/619028904.db2.gz QTONXLOYEOEIQZ-UHFFFAOYSA-N 0 0 307.752 3.409 20 10 DGCDRN Cc1cnc(Cl)nc1/C=C\c1ccc(N2CCOCC2)cc1 ZINC000840718289 619038983 /nfs/dbraw/zinc/03/89/83/619038983.db2.gz CQMDLMCNSIJNNI-DAXSKMNVSA-N 0 0 315.804 3.445 20 10 DGCDRN C[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C(F)F ZINC000881283301 625312449 /nfs/dbraw/zinc/31/24/49/625312449.db2.gz ZVGPTCRHZUHFKI-NSHDSACASA-N 0 0 311.376 3.080 20 10 DGCDRN Cc1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)cc1C ZINC000151873135 619044730 /nfs/dbraw/zinc/04/47/30/619044730.db2.gz YIPZSADGUZDZLW-UHFFFAOYSA-N 0 0 311.790 3.463 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1c2ccccc2CC[C@H]1O ZINC000897341941 619065504 /nfs/dbraw/zinc/06/55/04/619065504.db2.gz PDBZMEGTNGAPFB-CVEARBPZSA-N 0 0 303.789 3.184 20 10 DGCDRN CCc1ccc(CCn2cc(COc3ccc(N)cc3)nn2)cc1 ZINC000881291833 625315866 /nfs/dbraw/zinc/31/58/66/625315866.db2.gz ABUHESCLCMXUJF-UHFFFAOYSA-N 0 0 322.412 3.244 20 10 DGCDRN CCOc1ccc(C[NH2+][C@@H](CCC(C)(C)C)C(=O)[O-])c(O)c1 ZINC000840998706 619110994 /nfs/dbraw/zinc/11/09/94/619110994.db2.gz OPYKWUAGNPKUFQ-AWEZNQCLSA-N 0 0 309.406 3.160 20 10 DGCDRN Cc1cc(CC(=O)N2CC(F)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000753071774 619112161 /nfs/dbraw/zinc/11/21/61/619112161.db2.gz SLGHQVCMJWYKQD-UHFFFAOYSA-N 0 0 320.795 3.470 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000897430715 619118219 /nfs/dbraw/zinc/11/82/19/619118219.db2.gz ZIGRHEIRTALUPF-UHFFFAOYSA-N 0 0 323.799 3.471 20 10 DGCDRN CCN(C)c1ccc(Cn2cc(-c3c(C)noc3C)nn2)cc1 ZINC000881314736 625324141 /nfs/dbraw/zinc/32/41/41/625324141.db2.gz CMPNQPOYXSRJBB-UHFFFAOYSA-N 0 0 311.389 3.054 20 10 DGCDRN Cc1cc(C)c2c(N)c(C(=O)OC[C@H]3CC[C@@H](C)O3)sc2n1 ZINC000789010093 625324143 /nfs/dbraw/zinc/32/41/43/625324143.db2.gz AQAKNBGMZWNYGT-GHMZBOCLSA-N 0 0 320.414 3.220 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1ccnn1CC1CCC1 ZINC000898214935 619222131 /nfs/dbraw/zinc/22/21/31/619222131.db2.gz HNNXNZRPNDXMIH-UHFFFAOYSA-N 0 0 305.809 3.332 20 10 DGCDRN Cc1cc(C(=O)N2CCC=C(Cl)C2)c(C)n1-c1ccccn1 ZINC000898191390 619224836 /nfs/dbraw/zinc/22/48/36/619224836.db2.gz LLWWYGVIZPYDAU-UHFFFAOYSA-N 0 0 315.804 3.458 20 10 DGCDRN CCOc1cc(C)ccc1NC(=O)NCCc1ccc(N)cc1 ZINC000841057977 619249136 /nfs/dbraw/zinc/24/91/36/619249136.db2.gz COBLUTFGYSQXDT-UHFFFAOYSA-N 0 0 313.401 3.340 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCOC1CCSCC1 ZINC000898439537 619275196 /nfs/dbraw/zinc/27/51/96/619275196.db2.gz DRLADPRYSZHHND-UHFFFAOYSA-N 0 0 319.829 3.187 20 10 DGCDRN C[C@H]1CCC[C@@H](Cn2cc(COc3ccc(N)cc3)nn2)C1 ZINC000881326147 625332459 /nfs/dbraw/zinc/33/24/59/625332459.db2.gz XUSRELDOFTVWGS-UONOGXRCSA-N 0 0 300.406 3.266 20 10 DGCDRN O=C(NCC[C@H]1CCC(F)(F)C1)N1Cc2cccc(O)c2C1 ZINC000898489860 619279392 /nfs/dbraw/zinc/27/93/92/619279392.db2.gz NUBKXYOTEPDOIJ-LLVKDONJSA-N 0 0 310.344 3.243 20 10 DGCDRN C[C@@H]1Cc2cc(/C=C3\SC(=S)N(C4CC4)C3=O)ccc2O1 ZINC000899260404 619323488 /nfs/dbraw/zinc/32/34/88/619323488.db2.gz FVZWDVUOTOAKEA-ZJTXEKFPSA-N 0 0 317.435 3.374 20 10 DGCDRN O=C1/C(=C/c2ccc3c(c2)CCCO3)SC(=S)N1C1CC1 ZINC000899260531 619323670 /nfs/dbraw/zinc/32/36/70/619323670.db2.gz JXSNVUGUMLWBGW-ZROIWOOFSA-N 0 0 317.435 3.375 20 10 DGCDRN CCN1C(=O)/C(=C/c2csc(C(F)(F)F)n2)SC1=S ZINC000899333385 619326559 /nfs/dbraw/zinc/32/65/59/619326559.db2.gz OPMMMMCBJXMEGY-UTCJRWHESA-N 0 0 324.374 3.383 20 10 DGCDRN O=C1/C(=C/c2cnn(C3CCC3)c2)c2cccc3c2N1CCC3 ZINC000899384396 619333766 /nfs/dbraw/zinc/33/37/66/619333766.db2.gz KOAMDSCPCOJNCS-LICLKQGHSA-N 0 0 305.381 3.442 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCS[C@H](C)C2)c1 ZINC000927249161 619393185 /nfs/dbraw/zinc/39/31/85/619393185.db2.gz WRGILKKVGOBLGU-WOPDTQHZSA-N 0 0 324.446 3.045 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ccnc(NC2CCC2)c1 ZINC000901052112 619469805 /nfs/dbraw/zinc/46/98/05/619469805.db2.gz HGLGKGGVCYJVCV-UHFFFAOYSA-N 0 0 311.385 3.024 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)c2nccs2)c1 ZINC000901127083 619473478 /nfs/dbraw/zinc/47/34/78/619473478.db2.gz HDAGEPHEQWSPRN-SNVBAGLBSA-N 0 0 320.414 3.012 20 10 DGCDRN C[C@H]([NH2+]Cc1csc(N)n1)c1cccc(C(F)(F)F)c1[O-] ZINC000902498348 619643494 /nfs/dbraw/zinc/64/34/94/619643494.db2.gz FABWBFLADZCZCN-ZETCQYMHSA-N 0 0 317.336 3.301 20 10 DGCDRN CC[C@@H]([NH2+][C@H](c1nncn1C)C(C)C)c1ccc(F)cc1[O-] ZINC000903063016 619708578 /nfs/dbraw/zinc/70/85/78/619708578.db2.gz AXTIGQCOPZPVFJ-HIFRSBDPSA-N 0 0 306.385 3.098 20 10 DGCDRN C[C@@H]([NH2+]Cc1nc2c(s1)CCC2)c1cc(F)cc(F)c1[O-] ZINC000903190574 619737784 /nfs/dbraw/zinc/73/77/84/619737784.db2.gz AVGXLBDNHNSDAG-MRVPVSSYSA-N 0 0 310.369 3.466 20 10 DGCDRN C[C@@H]([NH2+]C1CC(CC(N)=O)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000903259325 619746399 /nfs/dbraw/zinc/74/63/99/619746399.db2.gz HSGUOJKBDWTKQM-AFPNSQJFSA-N 0 0 317.216 3.004 20 10 DGCDRN CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cnn(CCF)c2)cc1 ZINC000903274355 619750564 /nfs/dbraw/zinc/75/05/64/619750564.db2.gz WCJPOUNGZPJAGK-CQSZACIVSA-N 0 0 304.413 3.160 20 10 DGCDRN CC[C@H]([NH2+]Cc1cnn(CCF)c1)c1cc(Cl)ccc1O ZINC000903273922 619750652 /nfs/dbraw/zinc/75/06/52/619750652.db2.gz FVXCNUKGNPWVCO-AWEZNQCLSA-N 0 0 311.788 3.453 20 10 DGCDRN CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000903299172 619753487 /nfs/dbraw/zinc/75/34/87/619753487.db2.gz GYNVZDROBVTCPX-GGZOMVNGSA-N 0 0 320.216 3.154 20 10 DGCDRN C[C@H](NCc1cc(C(F)(F)F)n(C)n1)c1c(O)cccc1F ZINC000903336439 619759943 /nfs/dbraw/zinc/75/99/43/619759943.db2.gz NZLHIJNLOGSORX-QMMMGPOBSA-N 0 0 317.286 3.134 20 10 DGCDRN C[C@H]([NH2+]CC[C@H](O)C1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000903408854 619772026 /nfs/dbraw/zinc/77/20/26/619772026.db2.gz URFYHRVUKCIGKJ-ZANVPECISA-N 0 0 303.324 3.223 20 10 DGCDRN Cn1cnc(/C=C\C(=O)N(CC2CCCCC2)c2ccccn2)c1 ZINC000904030078 619860873 /nfs/dbraw/zinc/86/08/73/619860873.db2.gz ODXMNRICIQGXHU-KHPPLWFESA-N 0 0 324.428 3.442 20 10 DGCDRN Cn1cnc(/C=C/C(=O)N2CCCSc3ccc(F)cc32)c1 ZINC000904809663 619950669 /nfs/dbraw/zinc/95/06/69/619950669.db2.gz WKLHRVJQXGDOHK-GQCTYLIASA-N 0 0 317.389 3.101 20 10 DGCDRN CCOc1ccccc1NC[C@H](O)CC[C@H](O)c1ccccc1 ZINC000905296118 619984210 /nfs/dbraw/zinc/98/42/10/619984210.db2.gz YKWWKOKUIYKWAA-AEFFLSMTSA-N 0 0 315.413 3.372 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCOC3(CCCC3)C2)cc1 ZINC000905319276 619986993 /nfs/dbraw/zinc/98/69/93/619986993.db2.gz YPTKDRGBINMSCI-MRXNPFEDSA-N 0 0 316.445 3.108 20 10 DGCDRN Cc1cc(C)c(C(=O)NCc2ccc(N(C)C)c(F)c2)c(C)n1 ZINC000906454340 620099304 /nfs/dbraw/zinc/09/93/04/620099304.db2.gz OICZVZFSOQWLLW-UHFFFAOYSA-N 0 0 315.392 3.142 20 10 DGCDRN O=C(NCc1cccc(Br)c1O)C1(C2CC2)CCC1 ZINC000907757467 620172310 /nfs/dbraw/zinc/17/23/10/620172310.db2.gz GNPQFEKRKZBRIR-UHFFFAOYSA-N 0 0 324.218 3.351 20 10 DGCDRN COc1ccc2c(c1)CCCN2CC(=O)N(C)Cc1ccccc1 ZINC000027578388 620228351 /nfs/dbraw/zinc/22/83/51/620228351.db2.gz QZFVUFMCOQMNNJ-UHFFFAOYSA-N 0 0 324.424 3.106 20 10 DGCDRN C/C(=C(/F)C(=O)NCc1ccc2cccnc2c1O)C1CC1 ZINC000911262640 620330167 /nfs/dbraw/zinc/33/01/67/620330167.db2.gz RWMZQOZZVUHQEM-UVTDQMKNSA-N 0 0 300.333 3.210 20 10 DGCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)C(C)(F)F)cc1 ZINC000912109625 620365869 /nfs/dbraw/zinc/36/58/69/620365869.db2.gz ILOJICYPHADDIL-UHFFFAOYSA-N 0 0 324.293 3.299 20 10 DGCDRN CSCC1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000913926604 620493662 /nfs/dbraw/zinc/49/36/62/620493662.db2.gz HUZHLMQTKDAIQB-UHFFFAOYSA-N 0 0 321.490 3.037 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cccn2C(C)C)c1 ZINC000152373165 620503163 /nfs/dbraw/zinc/50/31/63/620503163.db2.gz SFYWHJRUYCLQLX-GFCCVEGCSA-N 0 0 302.374 3.274 20 10 DGCDRN Cc1cccc(C)c1CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000152480805 620508853 /nfs/dbraw/zinc/50/88/53/620508853.db2.gz LVRHEFZMBVDUCT-UHFFFAOYSA-N 0 0 311.429 3.369 20 10 DGCDRN COc1ccccc1C/C(C)=C/C(=O)NCCc1ccc(N)cc1 ZINC000152517216 620510997 /nfs/dbraw/zinc/51/09/97/620510997.db2.gz PPXVPGZIZYLHCM-CCEZHUSRSA-N 0 0 324.424 3.125 20 10 DGCDRN Cc1cc(CCNC(=O)N2CCCC2)c(C)n1-c1ccccc1 ZINC000914460649 620536916 /nfs/dbraw/zinc/53/69/16/620536916.db2.gz CJQZPDSOBMIVIA-UHFFFAOYSA-N 0 0 311.429 3.442 20 10 DGCDRN Cc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n1C ZINC000914505527 620539772 /nfs/dbraw/zinc/53/97/72/620539772.db2.gz JVCCVYMHMDCYOP-UHFFFAOYSA-N 0 0 313.445 3.450 20 10 DGCDRN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)c1nccs1 ZINC000153301571 620547466 /nfs/dbraw/zinc/54/74/66/620547466.db2.gz ZJEWSIXKBZEAAJ-ZIAGYGMSSA-N 0 0 317.458 3.392 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)CC[C@H]2CCCO2)cc1 ZINC000914719890 620550450 /nfs/dbraw/zinc/55/04/50/620550450.db2.gz MSNFFTPXRCPGLR-GOSISDBHSA-N 0 0 318.461 3.450 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@]2(C)CCCS2)c1 ZINC000153409525 620560979 /nfs/dbraw/zinc/56/09/79/620560979.db2.gz MOHKOBCJPWIGSJ-MEDUHNTESA-N 0 0 324.446 3.047 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@]2(C)CCCS2)c1 ZINC000153409344 620561071 /nfs/dbraw/zinc/56/10/71/620561071.db2.gz MOHKOBCJPWIGSJ-ZBEGNZNMSA-N 0 0 324.446 3.047 20 10 DGCDRN CC[C@@H](SC)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000153461407 620566804 /nfs/dbraw/zinc/56/68/04/620566804.db2.gz RSSSCSWJIIRZNZ-GOEBONIOSA-N 0 0 323.458 3.041 20 10 DGCDRN CN1C(=O)/C(=C/c2cccnc2)c2cc(Br)ccc21 ZINC000915850915 620601835 /nfs/dbraw/zinc/60/18/35/620601835.db2.gz DWGJMSGNMXDVPU-NTUHNPAUSA-N 0 0 315.170 3.361 20 10 DGCDRN CC(=O)NCCCCCSc1ncc(-c2ccccc2)n1C ZINC000916202902 620621438 /nfs/dbraw/zinc/62/14/38/620621438.db2.gz HOIYIHONJDWWNO-UHFFFAOYSA-N 0 0 317.458 3.486 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCCC2CCC2)c1 ZINC000852584957 620631775 /nfs/dbraw/zinc/63/17/75/620631775.db2.gz VLQGVDFBVQPKKB-LBPRGKRZSA-N 0 0 306.406 3.341 20 10 DGCDRN Cc1cc(CC(=O)N2CC[C@H](F)C2)c(C)n1-c1ccccc1 ZINC000854742775 620835201 /nfs/dbraw/zinc/83/52/01/620835201.db2.gz SZEWEKBTZVAMJW-INIZCTEOSA-N 0 0 300.377 3.207 20 10 DGCDRN CCN(Cc1ccc(C(=O)OC)o1)c1ccc(OC)c(OC)c1 ZINC000921061507 620835732 /nfs/dbraw/zinc/83/57/32/620835732.db2.gz XMKMRCYWCOELOV-UHFFFAOYSA-N 0 0 319.357 3.110 20 10 DGCDRN COCCCN(C)CC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000921193075 620842911 /nfs/dbraw/zinc/84/29/11/620842911.db2.gz HHBZFEUWQVIFEY-UHFFFAOYSA-N 0 0 314.429 3.245 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCC2(C)C)cc1 ZINC000855020487 620863464 /nfs/dbraw/zinc/86/34/64/620863464.db2.gz QJISCUYUHYSYNT-MRXNPFEDSA-N 0 0 304.434 3.026 20 10 DGCDRN O=C(N[C@H](c1cccs1)C1(CO)CCC1)C1=CC(=O)CS1 ZINC000855117996 620870888 /nfs/dbraw/zinc/87/08/88/620870888.db2.gz LDTFVGCSMKRKAE-CYBMUJFWSA-N 0 0 323.439 3.149 20 10 DGCDRN CCC/C(C)=C\C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855228904 620882252 /nfs/dbraw/zinc/88/22/52/620882252.db2.gz FVHAEMWPLWZTGF-ZSMUJPCHSA-N 0 0 302.418 3.137 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)C3CCCC3)C2)cc1 ZINC000855231077 620882370 /nfs/dbraw/zinc/88/23/70/620882370.db2.gz JGDVSXUBNACWAP-GDBMZVCRSA-N 0 0 316.445 3.216 20 10 DGCDRN CCC(CC)[C@@H](C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855233539 620882374 /nfs/dbraw/zinc/88/23/74/620882374.db2.gz IFBSXNPLTQTJNP-ZBFHGGJFSA-N 0 0 318.461 3.462 20 10 DGCDRN CC[C@H](CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C(C)C ZINC000855228853 620882442 /nfs/dbraw/zinc/88/24/42/620882442.db2.gz FJCKYHYECBOXCW-HZPDHXFCSA-N 0 0 318.461 3.462 20 10 DGCDRN CCC[C@@H](C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C(C)C ZINC000855234013 620882977 /nfs/dbraw/zinc/88/29/77/620882977.db2.gz QOFJGKWTJOOYQX-MAUKXSAKSA-N 0 0 318.461 3.462 20 10 DGCDRN C[C@H]([NH2+]CCc1cn(C)cn1)c1cc(Cl)c(Cl)cc1[O-] ZINC000840766491 620885631 /nfs/dbraw/zinc/88/56/31/620885631.db2.gz NNIIAFYAVIKEPB-VIFPVBQESA-N 0 0 314.216 3.326 20 10 DGCDRN CC1(C)CN(C(=O)c2cccc(O)c2O)CCc2ccccc21 ZINC000855348247 620893263 /nfs/dbraw/zinc/89/32/63/620893263.db2.gz IRWYXOCKBKOURZ-UHFFFAOYSA-N 0 0 311.381 3.074 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC(C2CCC2)CC1 ZINC000855437801 620903583 /nfs/dbraw/zinc/90/35/83/620903583.db2.gz MVKIDGOWPKGCIA-ALCCZGGFSA-N 0 0 301.386 3.150 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(C2CCC2)CC1 ZINC000855437802 620903631 /nfs/dbraw/zinc/90/36/31/620903631.db2.gz MVKIDGOWPKGCIA-FNORWQNLSA-N 0 0 301.386 3.150 20 10 DGCDRN CN(C)c1ccc(CNCc2c(Cl)n[nH]c2C2CC2)cc1F ZINC000921623466 620917379 /nfs/dbraw/zinc/91/73/79/620917379.db2.gz LNOGXWFCTOAXGD-UHFFFAOYSA-N 0 0 322.815 3.435 20 10 DGCDRN CO[C@@H](C)c1nc(CNCc2ccc3c(c2)CCCO3)cs1 ZINC000921823997 620956057 /nfs/dbraw/zinc/95/60/57/620956057.db2.gz JVEDXCCXHQRKQV-LBPRGKRZSA-N 0 0 318.442 3.465 20 10 DGCDRN CS[C@@H](CNC(=O)NCc1c(O)cccc1F)C(C)(C)C ZINC000921919518 620968429 /nfs/dbraw/zinc/96/84/29/620968429.db2.gz VSYVBGXDJDXACL-ZDUSSCGKSA-N 0 0 314.426 3.108 20 10 DGCDRN C[C@H](NC(=O)NC[C@@]1(C)CCCCO1)c1ccc(N(C)C)cc1 ZINC000922056245 620984209 /nfs/dbraw/zinc/98/42/09/620984209.db2.gz WYUAJCOPZPMRLP-KBXCAEBGSA-N 0 0 319.449 3.072 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000856495539 620999951 /nfs/dbraw/zinc/99/99/51/620999951.db2.gz STJIVKRUXXMFKE-AWEZNQCLSA-N 0 0 300.383 3.216 20 10 DGCDRN CSc1ccc(C(=O)NCCCSc2nccs2)o1 ZINC000114375830 621003466 /nfs/dbraw/zinc/00/34/66/621003466.db2.gz RSVPMVKNLMHGKC-UHFFFAOYSA-N 0 0 314.457 3.370 20 10 DGCDRN CCc1ccc([C@H](C)C(=O)NCc2cc(OC)ccc2O)cc1 ZINC000114542422 621009157 /nfs/dbraw/zinc/00/91/57/621009157.db2.gz QLYYYHFMBBTHRJ-ZDUSSCGKSA-N 0 0 313.397 3.383 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2ccc(F)cc2C)c1 ZINC000114566571 621015295 /nfs/dbraw/zinc/01/52/95/621015295.db2.gz LJWCFLXDACBCAQ-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2ccc(C)cc2C)c1 ZINC000114564467 621015308 /nfs/dbraw/zinc/01/53/08/621015308.db2.gz CSKOKZJGCBAAFM-UHFFFAOYSA-N 0 0 300.358 3.339 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NC[C@H]2CCC[C@H](C)C2)c1 ZINC000114591425 621016471 /nfs/dbraw/zinc/01/64/71/621016471.db2.gz DWILBUURJXOVIT-STQMWFEESA-N 0 0 306.406 3.026 20 10 DGCDRN O=C(NCc1c(O)cccc1F)NC[C@@H]1CCCC(F)(F)C1 ZINC000922354140 621028628 /nfs/dbraw/zinc/02/86/28/621028628.db2.gz FWBYRNHVZZLBGL-SNVBAGLBSA-N 0 0 316.323 3.156 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)c1 ZINC000922425670 621037695 /nfs/dbraw/zinc/03/76/95/621037695.db2.gz ZTDPEIVKVKTKKP-FTNCPSPGSA-N 0 0 308.403 3.064 20 10 DGCDRN CCOc1ccc(N(C)CCCCCS(=O)(=O)CC)cc1 ZINC000789327780 625460792 /nfs/dbraw/zinc/46/07/92/625460792.db2.gz UHDMOOCMCXSUNZ-UHFFFAOYSA-N 0 0 313.463 3.127 20 10 DGCDRN Cc1cccc(OCCC(=O)NCc2cc(Cl)ccc2O)c1 ZINC000857546401 621094917 /nfs/dbraw/zinc/09/49/17/621094917.db2.gz CDJYSPJTYHCMFK-UHFFFAOYSA-N 0 0 319.788 3.439 20 10 DGCDRN CCc1noc([C@H]2CC[C@H]([NH2+]Cc3cc(F)cc(F)c3[O-])C2)n1 ZINC000922861181 621110197 /nfs/dbraw/zinc/11/01/97/621110197.db2.gz ASMYNWGPLPVZOK-CABZTGNLSA-N 0 0 323.343 3.042 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(CO)c(F)c1)c1cc(F)cc(F)c1[O-] ZINC000756458339 621125051 /nfs/dbraw/zinc/12/50/51/621125051.db2.gz LQRDTCYTZVDWBY-VIFPVBQESA-N 0 0 311.303 3.153 20 10 DGCDRN CCN(CC)c1ccc(CNCc2cc(C3CC3)n(C)n2)cc1 ZINC000922955729 621137509 /nfs/dbraw/zinc/13/75/09/621137509.db2.gz VVUIHYQVUZSXKH-UHFFFAOYSA-N 0 0 312.461 3.434 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@]1(c2ccccc2)CCCO1 ZINC000922965646 621138861 /nfs/dbraw/zinc/13/88/61/621138861.db2.gz ZOJQXLALZSYVHS-SFHVURJKSA-N 0 0 319.351 3.466 20 10 DGCDRN COc1ccccc1[C@H](C)NC(=O)NCc1cc(C)ccc1O ZINC000858091917 621151671 /nfs/dbraw/zinc/15/16/71/621151671.db2.gz JYISZNJPNJKBKL-ZDUSSCGKSA-N 0 0 314.385 3.270 20 10 DGCDRN COc1ccc(C)cc1CNC(=O)NCc1cc(C)ccc1O ZINC000858119614 621155030 /nfs/dbraw/zinc/15/50/30/621155030.db2.gz QARYZPDJBFJXID-UHFFFAOYSA-N 0 0 314.385 3.017 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCCc2ccc(Cl)s2)c1 ZINC000858145698 621158033 /nfs/dbraw/zinc/15/80/33/621158033.db2.gz BHSVKGCUXAIFBU-UHFFFAOYSA-N 0 0 324.833 3.457 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCc2ccc([C@H]3C[C@@H]3C)o2)c1 ZINC000858147931 621158510 /nfs/dbraw/zinc/15/85/10/621158510.db2.gz DWWFATQLFPVJOK-WFASDCNBSA-N 0 0 314.385 3.416 20 10 DGCDRN Cc1cc(O)c(CN[C@@H](c2cnn(C)c2)C(F)(F)F)cc1C ZINC000858164014 621160549 /nfs/dbraw/zinc/16/05/49/621160549.db2.gz NRWQKDFDASMLDA-AWEZNQCLSA-N 0 0 313.323 3.136 20 10 DGCDRN CCC[C@@H](NC(=O)NCc1cc(C)ccc1O)c1ccccn1 ZINC000858190468 621163354 /nfs/dbraw/zinc/16/33/54/621163354.db2.gz DRQAHVXASFNTLQ-MRXNPFEDSA-N 0 0 313.401 3.436 20 10 DGCDRN C[C@H]1c2ccccc2C[C@H]1NC(=O)NCc1c(O)cccc1F ZINC000923254408 621168768 /nfs/dbraw/zinc/16/87/68/621168768.db2.gz PTHQOUMHBRBSQR-MEDUHNTESA-N 0 0 314.360 3.059 20 10 DGCDRN CN(C[C@@H](O)Cc1ccccc1C(F)(F)F)c1ccc(N)cc1 ZINC000923401862 621181773 /nfs/dbraw/zinc/18/17/73/621181773.db2.gz YPNCDKITALUVPN-HNNXBMFYSA-N 0 0 324.346 3.327 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCCO[C@@H]2CC(C)C)c1 ZINC000858373119 621182200 /nfs/dbraw/zinc/18/22/00/621182200.db2.gz YSVLIROVKIFPOJ-NVXWUHKLSA-N 0 0 320.433 3.094 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1cc(F)cc(F)c1[O-] ZINC000858453939 621193235 /nfs/dbraw/zinc/19/32/35/621193235.db2.gz QXVATFBFFCOZAG-ABAIWWIYSA-N 0 0 319.351 3.463 20 10 DGCDRN CC[C@@H]([NH2+][C@@H]1CC=C(C(=O)OC)C1)c1cccc(Cl)c1[O-] ZINC000858471146 621194948 /nfs/dbraw/zinc/19/49/48/621194948.db2.gz BMZVUXAIWIOJML-BXUZGUMPSA-N 0 0 309.793 3.348 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1ccc(Cl)cc1[O-] ZINC000858480390 621196691 /nfs/dbraw/zinc/19/66/91/621196691.db2.gz SPHDAAJQPBNKGL-PWSUYJOCSA-N 0 0 318.795 3.426 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCC[C@@]2(C)C[C@@]2(F)Cl)c1 ZINC000858584320 621207173 /nfs/dbraw/zinc/20/71/73/621207173.db2.gz RIYGLJKAISVMGD-GJZGRUSLSA-N 0 0 314.788 3.205 20 10 DGCDRN CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2cc(Br)ccc2O)C1 ZINC000858592445 621208209 /nfs/dbraw/zinc/20/82/09/621208209.db2.gz BWOFILFBBHQGRZ-FOGDFJRCSA-N 0 0 314.223 3.230 20 10 DGCDRN CC(C)CCOC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000858918600 621231975 /nfs/dbraw/zinc/23/19/75/621231975.db2.gz XTLOQDYLTHHONU-HNNXBMFYSA-N 0 0 320.433 3.357 20 10 DGCDRN COc1ccc(O)c(CNC(=O)C[C@H](C)c2cccc(F)c2)c1 ZINC000116452156 621235683 /nfs/dbraw/zinc/23/56/83/621235683.db2.gz HKTDJRUGBHFITE-LBPRGKRZSA-N 0 0 317.360 3.350 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2CCCC23CC3)cc1 ZINC000859014088 621239102 /nfs/dbraw/zinc/23/91/02/621239102.db2.gz FSWKEDVOIYVDAG-INIZCTEOSA-N 0 0 315.461 3.474 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@@H](C)C1 ZINC000859048825 621242921 /nfs/dbraw/zinc/24/29/21/621242921.db2.gz SICWMYWFXJSRTJ-CYBMUJFWSA-N 0 0 310.397 3.389 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@H]2C2CC2)cc1F ZINC000838392578 621244426 /nfs/dbraw/zinc/24/44/26/621244426.db2.gz WCAKHOQAIXCFIW-INIZCTEOSA-N 0 0 319.424 3.366 20 10 DGCDRN CC(C)CCOC(=O)NCc1cccc(Br)c1O ZINC000859133671 621252135 /nfs/dbraw/zinc/25/21/35/621252135.db2.gz DXKTVQOSRWMLKO-UHFFFAOYSA-N 0 0 316.195 3.427 20 10 DGCDRN CCN(CC(=O)N[C@H](C)c1ccccc1)c1ccc(OC)cc1 ZINC000859176491 621257531 /nfs/dbraw/zinc/25/75/31/621257531.db2.gz VSGMVRSAAWXUOA-OAHLLOKOSA-N 0 0 312.413 3.399 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@]1(C)CC=CCC1 ZINC000838477669 621258286 /nfs/dbraw/zinc/25/82/86/621258286.db2.gz GKHPCYBASDQAJM-SFHVURJKSA-N 0 0 301.434 3.359 20 10 DGCDRN CN(C(=O)NCCCSc1nccs1)C1CC(C)(C)C1 ZINC000838513964 621261897 /nfs/dbraw/zinc/26/18/97/621261897.db2.gz MTTWRBCCQJSIDM-UHFFFAOYSA-N 0 0 313.492 3.455 20 10 DGCDRN C[C@H](F)CCNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000838619178 621265697 /nfs/dbraw/zinc/26/56/97/621265697.db2.gz KPDONKHDWXKLAL-ZDUSSCGKSA-N 0 0 320.364 3.445 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCC[C@H]1OC ZINC000838677056 621271641 /nfs/dbraw/zinc/27/16/41/621271641.db2.gz VINLFJFTQZYNPH-NVXWUHKLSA-N 0 0 320.433 3.271 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)[C@@H](OC)C1CC1 ZINC000838702051 621272121 /nfs/dbraw/zinc/27/21/21/621272121.db2.gz RHMVSESWNKBYNZ-CXAGYDPISA-N 0 0 320.433 3.127 20 10 DGCDRN CC(C)[C@@]1(C)C[C@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000838767096 621276245 /nfs/dbraw/zinc/27/62/45/621276245.db2.gz WIJBOUGZTHBDQO-SJLPKXTDSA-N 0 0 303.450 3.329 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)[C@@]2(C)CCCCO2)C2CC2)cc1 ZINC000839238508 621354037 /nfs/dbraw/zinc/35/40/37/621354037.db2.gz IXWIOPAKBVRQCG-LJQANCHMSA-N 0 0 316.445 3.203 20 10 DGCDRN Cc1ccccc1CO[C@H](C)C(=O)N(C)Cc1ccccc1O ZINC000860048056 621358184 /nfs/dbraw/zinc/35/81/84/621358184.db2.gz PYIBGEFQEFBOCT-OAHLLOKOSA-N 0 0 313.397 3.264 20 10 DGCDRN Cc1nnc([C@@H](C)N(C)Cc2ccc(N3CCCCC3)cc2)[nH]1 ZINC000839459530 621378807 /nfs/dbraw/zinc/37/88/07/621378807.db2.gz NGYMKMLQLVRQFB-CQSZACIVSA-N 0 0 313.449 3.296 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C)c(C)s1 ZINC000808095403 621384906 /nfs/dbraw/zinc/38/49/06/621384906.db2.gz ZPGXNLVRHTYHHX-UHFFFAOYSA-N 0 0 310.415 3.486 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)c1 ZINC000860240515 621385935 /nfs/dbraw/zinc/38/59/35/621385935.db2.gz AXRQEXINMWODND-NDCLTGCFSA-N 0 0 323.392 3.164 20 10 DGCDRN CC[C@H]([NH2+]C[C@](C)(O)COC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806139055 621387692 /nfs/dbraw/zinc/38/76/92/621387692.db2.gz HTWGBWWTICEVMG-JSGCOSHPSA-N 0 0 322.232 3.137 20 10 DGCDRN CCN(CC)c1ccc(/C=C(/C(=O)OC)c2ncccn2)cc1 ZINC000752886159 621414347 /nfs/dbraw/zinc/41/43/47/621414347.db2.gz HQOPHJXADLDXHI-DTQAZKPQSA-N 0 0 311.385 3.036 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)NC2CC(C)C2)cc1 ZINC000753024359 621420964 /nfs/dbraw/zinc/42/09/64/621420964.db2.gz VGRYERKMBPZXRS-UHFFFAOYSA-N 0 0 303.450 3.473 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nc1nnc(C)n1C ZINC000753130077 621427233 /nfs/dbraw/zinc/42/72/33/621427233.db2.gz NZADCICBWAFEKV-UHFFFAOYSA-N 0 0 323.400 3.092 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CCCCS2)c1 ZINC000753261444 621434425 /nfs/dbraw/zinc/43/44/25/621434425.db2.gz IBWKYHDKWUPEER-WCQYABFASA-N 0 0 324.446 3.047 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(Cl)cn1 ZINC000753379480 621438735 /nfs/dbraw/zinc/43/87/35/621438735.db2.gz CAAQPXUWHSPWDX-UHFFFAOYSA-N 0 0 318.808 3.431 20 10 DGCDRN COc1ccc(O)c(CNC(=O)CC2CC(OC(C)(C)C)C2)c1 ZINC000754226583 621497789 /nfs/dbraw/zinc/49/77/89/621497789.db2.gz GNYXHSDVOIJIDD-UHFFFAOYSA-N 0 0 321.417 3.001 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Cc2c(C)cccc2Cl)c1 ZINC000754226643 621497848 /nfs/dbraw/zinc/49/78/48/621497848.db2.gz HILMSDZWPHNQEB-UHFFFAOYSA-N 0 0 319.788 3.222 20 10 DGCDRN Cc1ccc(/C=C/C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000754265332 621499786 /nfs/dbraw/zinc/49/97/86/621499786.db2.gz AOWMVVYCWPLMGB-RMKNXTFCSA-N 0 0 323.352 3.291 20 10 DGCDRN CC1(C)CCC[C@H]1CCNC(=O)NCCc1ccc(N)cc1 ZINC000861641631 621531206 /nfs/dbraw/zinc/53/12/06/621531206.db2.gz VBGGUOBNBJYCKW-HNNXBMFYSA-N 0 0 303.450 3.327 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC[C@H](C)F)c1 ZINC000861835114 621540103 /nfs/dbraw/zinc/54/01/03/621540103.db2.gz OQLYOLLAKUGZRB-LBPRGKRZSA-N 0 0 316.376 3.385 20 10 DGCDRN Cc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)c(Cl)c1 ZINC000755015374 621546917 /nfs/dbraw/zinc/54/69/17/621546917.db2.gz YKHROUQVRMGCDT-UHFFFAOYSA-N 0 0 320.776 3.424 20 10 DGCDRN CCC[C@@H](OCC)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000862002692 621549856 /nfs/dbraw/zinc/54/98/56/621549856.db2.gz VPSFOSGVELFPLM-MAUKXSAKSA-N 0 0 320.477 3.313 20 10 DGCDRN COC[C@@H](C)CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000755081398 621550916 /nfs/dbraw/zinc/55/09/16/621550916.db2.gz HVRRKCNVIZXWAD-INIZCTEOSA-N 0 0 318.461 3.308 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)c1cc[nH]c1C1CCC1 ZINC000862026650 621551150 /nfs/dbraw/zinc/55/11/50/621551150.db2.gz WDYLMNWDHLWIKL-UHFFFAOYSA-N 0 0 321.380 3.466 20 10 DGCDRN C[C@@H](CC(=O)NCc1ccc2cccnc2c1O)C(F)(F)F ZINC000862025406 621551183 /nfs/dbraw/zinc/55/11/83/621551183.db2.gz MTAHBKHXWVSMCP-VIFPVBQESA-N 0 0 312.291 3.145 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2C=CCC2)c1 ZINC000862173238 621560067 /nfs/dbraw/zinc/56/00/67/621560067.db2.gz XSZWQXVKYSICHY-QGZVFWFLSA-N 0 0 308.381 3.355 20 10 DGCDRN C[C@@H](CCCC(F)(F)F)NC(=O)NCc1ccccc1O ZINC000755295533 621563881 /nfs/dbraw/zinc/56/38/81/621563881.db2.gz FGEIDJFRVOZFHT-JTQLQIEISA-N 0 0 304.312 3.313 20 10 DGCDRN CN(C)c1cc(F)c(CN2CCOC[C@@H]2c2ccco2)cc1F ZINC000862243334 621566014 /nfs/dbraw/zinc/56/60/14/621566014.db2.gz HVBJGWGJBGSMCG-MRXNPFEDSA-N 0 0 322.355 3.197 20 10 DGCDRN CN(Cc1nccs1)Cc1c(O)cccc1Br ZINC000862247919 621567202 /nfs/dbraw/zinc/56/72/02/621567202.db2.gz OFBZKWXWRIKTMM-UHFFFAOYSA-N 0 0 313.220 3.243 20 10 DGCDRN Cc1ccc(CN(C)Cc2c(O)cccc2Br)nc1 ZINC000862339754 621575495 /nfs/dbraw/zinc/57/54/95/621575495.db2.gz GMALLDWYDPXXNV-UHFFFAOYSA-N 0 0 321.218 3.490 20 10 DGCDRN COC(=O)C1=CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000862465670 621592207 /nfs/dbraw/zinc/59/22/07/621592207.db2.gz SNTQPBLNJJSPFH-LLVKDONJSA-N 0 0 316.184 3.050 20 10 DGCDRN COc1cc(CN2CC3(C2)CCCO3)c(O)c(C(C)(C)C)c1 ZINC000862484436 621594862 /nfs/dbraw/zinc/59/48/62/621594862.db2.gz OSAKPDAMNLHJFE-UHFFFAOYSA-N 0 0 305.418 3.063 20 10 DGCDRN COc1cc(Cl)cc(CN2CCc3c(O)cccc3C2)c1O ZINC000862530048 621597434 /nfs/dbraw/zinc/59/74/34/621597434.db2.gz TYTQSJRKVOZBEQ-UHFFFAOYSA-N 0 0 319.788 3.318 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CCCCC(=O)OC(C)(C)C)c1 ZINC000862754171 621613125 /nfs/dbraw/zinc/61/31/25/621613125.db2.gz STVJWPJZMXCAJM-UHFFFAOYSA-N 0 0 321.417 3.219 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)C[C@@H](C)N2CCc3ccccc32)c1 ZINC000862754181 621613240 /nfs/dbraw/zinc/61/32/40/621613240.db2.gz TXUZFIQDZRPOGZ-OAHLLOKOSA-N 0 0 324.424 3.158 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@H](OC(C)C)c2ccccc2)c1 ZINC000862756270 621613633 /nfs/dbraw/zinc/61/36/33/621613633.db2.gz UUBRLCUODVZQPD-GOSISDBHSA-N 0 0 313.397 3.483 20 10 DGCDRN CCc1ccccc1OCCC(=O)NCc1cc(C)ccc1O ZINC000862756149 621613635 /nfs/dbraw/zinc/61/36/35/621613635.db2.gz REIBJPJIZKLNCN-UHFFFAOYSA-N 0 0 313.397 3.348 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H](C)Cn2ncc3ccccc32)c1 ZINC000862755976 621613786 /nfs/dbraw/zinc/61/37/86/621613786.db2.gz OMEBFRFNNIBBTR-AWEZNQCLSA-N 0 0 323.396 3.003 20 10 DGCDRN CCCOc1cccc(CC(=O)NCc2cc(C)ccc2O)c1 ZINC000862757937 621614290 /nfs/dbraw/zinc/61/42/90/621614290.db2.gz JGHRAYGEABAEEH-UHFFFAOYSA-N 0 0 313.397 3.348 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]CC2(C(=O)[O-])CCCC2)cc1F ZINC000756309435 621626767 /nfs/dbraw/zinc/62/67/67/621626767.db2.gz WUOCASVUUVZETJ-UHFFFAOYSA-N 0 0 322.424 3.407 20 10 DGCDRN C[C@H]1CC[C@](C[NH2+]Cc2ccc(N(C)C)cc2)(CC(=O)[O-])C1 ZINC000756312508 621627224 /nfs/dbraw/zinc/62/72/24/621627224.db2.gz QVHGZZXBKNOUNM-KBXCAEBGSA-N 0 0 304.434 3.123 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1cc(F)cc(F)c1[O-] ZINC000756352499 621630097 /nfs/dbraw/zinc/63/00/97/621630097.db2.gz TYYXZCAGDJMADZ-ZYHUDNBSSA-N 0 0 321.323 3.161 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C)CCc2ccco2)c1 ZINC000756357798 621630711 /nfs/dbraw/zinc/63/07/11/621630711.db2.gz PSFBNMXPKQVUFJ-CHWSQXEVSA-N 0 0 317.385 3.444 20 10 DGCDRN CC(C)N(CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000756370383 621632228 /nfs/dbraw/zinc/63/22/28/621632228.db2.gz GCKLDWHRXKIYRS-ZDUSSCGKSA-N 0 0 309.410 3.070 20 10 DGCDRN COc1cccc2c1N(C(=O)/C=C/c1cncc(C)c1)CCC2 ZINC000119230804 621632544 /nfs/dbraw/zinc/63/25/44/621632544.db2.gz BGHGARFOZCLSAD-CMDGGOBGSA-N 0 0 308.381 3.391 20 10 DGCDRN Cc1cc(C)n(CCC[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])n1 ZINC000756374174 621632746 /nfs/dbraw/zinc/63/27/46/621632746.db2.gz YNNDTPYUFKYKSO-LBPRGKRZSA-N 0 0 309.360 3.225 20 10 DGCDRN C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1cc(F)cc(F)c1[O-] ZINC000756382915 621633401 /nfs/dbraw/zinc/63/34/01/621633401.db2.gz GTARAGMUOIZKLS-VFZGTOFNSA-N 0 0 311.303 3.194 20 10 DGCDRN C[C@H]([NH2+]CCc1cn2ccccc2n1)c1cc(F)cc(F)c1[O-] ZINC000756391951 621634793 /nfs/dbraw/zinc/63/47/93/621634793.db2.gz IQADQFGNZWWSJE-NSHDSACASA-N 0 0 317.339 3.211 20 10 DGCDRN C[C@H]([NH2+]CCc1cn2c(n1)CCCC2)c1cc(F)cc(F)c1[O-] ZINC000756401569 621635421 /nfs/dbraw/zinc/63/54/21/621635421.db2.gz ITAYGSSMCHUELV-NSHDSACASA-N 0 0 321.371 3.097 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](C)N1CCC[C@@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756413086 621636895 /nfs/dbraw/zinc/63/68/95/621636895.db2.gz XPEOPVFXNUCGNP-HZSPNIEDSA-N 0 0 321.421 3.071 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCSC(F)(F)F)c1 ZINC000756443007 621639194 /nfs/dbraw/zinc/63/91/94/621639194.db2.gz RQVDYVTXOZLHMN-QMMMGPOBSA-N 0 0 323.336 3.082 20 10 DGCDRN C[C@@H]([NH2+]CCN1CCc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000756483821 621641072 /nfs/dbraw/zinc/64/10/72/621641072.db2.gz RWUGOZRROCUYNJ-GFCCVEGCSA-N 0 0 318.367 3.384 20 10 DGCDRN C[C@@H]([NH2+]CCOC1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756490338 621641464 /nfs/dbraw/zinc/64/14/64/621641464.db2.gz NSOUSDGGTHLHFN-GFCCVEGCSA-N 0 0 308.378 3.300 20 10 DGCDRN COC/C(C)=C/C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000863163934 621644161 /nfs/dbraw/zinc/64/41/61/621644161.db2.gz UJKGSDMOJLVLNE-GXDHUFHOSA-N 0 0 312.413 3.303 20 10 DGCDRN Cc1cc(CNC(=O)[C@H]2CCO[C@@H]2C)c(C)n1-c1ccccc1 ZINC000863165737 621644676 /nfs/dbraw/zinc/64/46/76/621644676.db2.gz MLSGPVJVYBPAKV-QAPCUYQASA-N 0 0 312.413 3.135 20 10 DGCDRN Cc1cc(CNC(=O)C2=COCCC2)c(C)n1-c1ccccc1 ZINC000863164952 621644701 /nfs/dbraw/zinc/64/47/01/621644701.db2.gz GFYMSQFOXYACPR-UHFFFAOYSA-N 0 0 310.397 3.405 20 10 DGCDRN Cc1cc(CNC(=O)[C@H]2C[C@]23CCOC3)c(C)n1-c1ccccc1 ZINC000863166277 621644738 /nfs/dbraw/zinc/64/47/38/621644738.db2.gz WIKJDXYMJBUVRD-QUCCMNQESA-N 0 0 324.424 3.137 20 10 DGCDRN CO[C@@H](C)CC[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756525392 621644957 /nfs/dbraw/zinc/64/49/57/621644957.db2.gz BMDMUQLHOXXHDF-IUCAKERBSA-N 0 0 320.202 3.369 20 10 DGCDRN C[C@@H]([NH2+]CCN1[C@H](C)CCC[C@@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756555692 621647769 /nfs/dbraw/zinc/64/77/69/621647769.db2.gz UVHLGHRHYCDPEM-HZSPNIEDSA-N 0 0 321.421 3.214 20 10 DGCDRN Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756570311 621650047 /nfs/dbraw/zinc/65/00/47/621650047.db2.gz AMIYDXSZHNHNQK-BDAKNGLRSA-N 0 0 305.334 3.317 20 10 DGCDRN Cc1ncc2c(n1)CCC[C@H]2[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756586436 621651101 /nfs/dbraw/zinc/65/11/01/621651101.db2.gz RRWDAFSPYDYNGS-RFAUZJTJSA-N 0 0 319.355 3.497 20 10 DGCDRN Cc1ncc2c(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000756585329 621651177 /nfs/dbraw/zinc/65/11/77/621651177.db2.gz JNPLAAWIJWQUGM-MEBBXXQBSA-N 0 0 301.365 3.358 20 10 DGCDRN C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756613913 621652494 /nfs/dbraw/zinc/65/24/94/621652494.db2.gz RSKDWKNPVDKZID-PBXWNFIWSA-N 0 0 320.389 3.155 20 10 DGCDRN CCO[C@@H](CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000756631032 621654057 /nfs/dbraw/zinc/65/40/57/621654057.db2.gz XDTPXIJZOBAVJI-LRDDRELGSA-N 0 0 310.394 3.402 20 10 DGCDRN C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756636304 621654748 /nfs/dbraw/zinc/65/47/48/621654748.db2.gz WSCURNSFWAEQOQ-WCQYABFASA-N 0 0 307.340 3.097 20 10 DGCDRN CN(Cc1cnn(-c2ccccc2)c1)c1ccc2c(c1)OCO2 ZINC000756653482 621656173 /nfs/dbraw/zinc/65/61/73/621656173.db2.gz KLNPCDTWTVRVAQ-UHFFFAOYSA-N 0 0 307.353 3.237 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756687469 621658391 /nfs/dbraw/zinc/65/83/91/621658391.db2.gz UTLAHFZRYYFXSR-SNVBAGLBSA-N 0 0 317.301 3.059 20 10 DGCDRN C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756677175 621658435 /nfs/dbraw/zinc/65/84/35/621658435.db2.gz PZVGMFOMHLEBCX-BFVZDQMLSA-N 0 0 311.328 3.426 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc(F)cc(F)c1[O-] ZINC000756686942 621658560 /nfs/dbraw/zinc/65/85/60/621658560.db2.gz UHBSMWOUNRKLIB-SECBINFHSA-N 0 0 308.284 3.429 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc2c(c1)COC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756757303 621662207 /nfs/dbraw/zinc/66/22/07/621662207.db2.gz CQORKRINFQLMJP-NSHDSACASA-N 0 0 314.341 3.181 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1ccc(F)cc1[O-] ZINC000756760142 621662639 /nfs/dbraw/zinc/66/26/39/621662639.db2.gz IMYWOHPIMSBRNC-MLGOLLRUSA-N 0 0 320.408 3.116 20 10 DGCDRN CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756768978 621663204 /nfs/dbraw/zinc/66/32/04/621663204.db2.gz CGQRPFFYBUEEQF-MEBBXXQBSA-N 0 0 301.377 3.364 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCSCC(C)C)c1 ZINC000756775793 621663831 /nfs/dbraw/zinc/66/38/31/621663831.db2.gz KLGKORZUNFXHNU-LBPRGKRZSA-N 0 0 311.447 3.219 20 10 DGCDRN COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])C2 ZINC000756774575 621663891 /nfs/dbraw/zinc/66/38/91/621663891.db2.gz KBKWPFHDYNPMJO-BXUZGUMPSA-N 0 0 317.360 3.194 20 10 DGCDRN Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756786127 621664294 /nfs/dbraw/zinc/66/42/94/621664294.db2.gz JPHRRQNISGAHNL-SNVBAGLBSA-N 0 0 323.387 3.304 20 10 DGCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc(F)cc2OC)c1 ZINC000756791919 621664945 /nfs/dbraw/zinc/66/49/45/621664945.db2.gz HBNMHTWCBUMABC-SNVBAGLBSA-N 0 0 319.332 3.500 20 10 DGCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2ccc(OC)c(F)c2)c1 ZINC000756800636 621665696 /nfs/dbraw/zinc/66/56/96/621665696.db2.gz ALHGRIOUHYXHIL-JTQLQIEISA-N 0 0 319.332 3.500 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c1[O-] ZINC000756900526 621671575 /nfs/dbraw/zinc/67/15/75/621671575.db2.gz FKTDVKQLVXLGOT-MLGOLLRUSA-N 0 0 323.820 3.249 20 10 DGCDRN CC[C@H]1CC[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)O1 ZINC000756923036 621673289 /nfs/dbraw/zinc/67/32/89/621673289.db2.gz BJZVCEDHPLZANT-ZWKOTPCHSA-N 0 0 316.445 3.251 20 10 DGCDRN CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000863543432 621682213 /nfs/dbraw/zinc/68/22/13/621682213.db2.gz OLAVOGIYUJYIAI-JFUSQASVSA-N 0 0 303.233 3.490 20 10 DGCDRN CCN(CCCO)C(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC000757202973 621693037 /nfs/dbraw/zinc/69/30/37/621693037.db2.gz PGYOQAYMKYBFRF-UHFFFAOYSA-N 0 0 314.429 3.247 20 10 DGCDRN [NH3+]C[C@H]1CN(Cc2cccc(Cl)c2[O-])CC[C@@H]1C(F)(F)F ZINC000863645978 621693353 /nfs/dbraw/zinc/69/33/53/621693353.db2.gz OZHJDYCLPVBECJ-QWRGUYRKSA-N 0 0 322.758 3.005 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2sc(C)nc2C)c1 ZINC000757242955 621695096 /nfs/dbraw/zinc/69/50/96/621695096.db2.gz RDOVLRGKBMPGNG-QMMMGPOBSA-N 0 0 321.402 3.357 20 10 DGCDRN O=C(C[C@@H](c1ccc(O)cc1)C1CC1)NCc1ccccc1O ZINC000839612273 621703269 /nfs/dbraw/zinc/70/32/69/621703269.db2.gz OWCDCKLXLAKUKF-QGZVFWFLSA-N 0 0 311.381 3.298 20 10 DGCDRN COc1cc2c(c(OC)c1)N(CCc1scnc1C)CCC2 ZINC000839656607 621704471 /nfs/dbraw/zinc/70/44/71/621704471.db2.gz OKSGRWOPSZPSIP-UHFFFAOYSA-N 0 0 318.442 3.464 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cc2cccnc2[nH]1 ZINC000839691992 621708524 /nfs/dbraw/zinc/70/85/24/621708524.db2.gz METGWWVFQAMHJL-UHFFFAOYSA-N 0 0 321.380 3.077 20 10 DGCDRN CCc1ccccc1NC(=S)NCc1ncccc1OC ZINC000840825529 621710116 /nfs/dbraw/zinc/71/01/16/621710116.db2.gz GQUXSKDSCIMTFL-UHFFFAOYSA-N 0 0 301.415 3.139 20 10 DGCDRN COc1cccc(CNC(=O)c2ccc(F)c(Cl)c2)c1O ZINC000119646361 621711544 /nfs/dbraw/zinc/71/15/44/621711544.db2.gz DVVXRPMJZFJAOH-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)Cn2ccc3ccccc32)c1 ZINC000103529448 621712388 /nfs/dbraw/zinc/71/23/88/621712388.db2.gz WDXIJOVDJFJHFL-ZDUSSCGKSA-N 0 0 324.380 3.233 20 10 DGCDRN Cc1cc(C(=O)N2CCC[C@@H](CF)C2)c(C)n1-c1ccccn1 ZINC000881593183 625507906 /nfs/dbraw/zinc/50/79/06/625507906.db2.gz BGGXSRYMBDRSBX-HNNXBMFYSA-N 0 0 315.392 3.311 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000839707139 621713131 /nfs/dbraw/zinc/71/31/31/621713131.db2.gz SUBUMQKTIIXNQU-ZYHUDNBSSA-N 0 0 323.439 3.244 20 10 DGCDRN COc1cccc([C@H]2C[C@H](NC(=O)C3=CC(=O)CS3)C2)c1 ZINC000839788050 621724637 /nfs/dbraw/zinc/72/46/37/621724637.db2.gz WRYHWAQAUQIHKS-HAQNSBGRSA-N 0 0 303.383 3.138 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)c2cn[nH]c2)cc1 ZINC000757573075 621725247 /nfs/dbraw/zinc/72/52/47/621725247.db2.gz ABFCEVAVBIVUAK-AWEZNQCLSA-N 0 0 308.385 3.308 20 10 DGCDRN COC(=O)c1ccc(NCc2ccc(N(C)C)cc2)cc1F ZINC000864009163 621726641 /nfs/dbraw/zinc/72/66/41/621726641.db2.gz UKTBGNFAYQGHDB-UHFFFAOYSA-N 0 0 302.349 3.290 20 10 DGCDRN COc1cc(O)c(CNc2cc(F)cc(N(C)C)c2)cc1OC ZINC000864016782 621728008 /nfs/dbraw/zinc/72/80/08/621728008.db2.gz PPMJIVDJMOWVNI-UHFFFAOYSA-N 0 0 320.364 3.227 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000757629704 621729676 /nfs/dbraw/zinc/72/96/76/621729676.db2.gz FSKGFSNVQRZTEW-QMTHXVAHSA-N 0 0 308.378 3.297 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NCC2(C)CCCCC2)c1 ZINC000757693035 621733574 /nfs/dbraw/zinc/73/35/74/621733574.db2.gz DVPZVEKWEDYIPP-UHFFFAOYSA-N 0 0 306.406 3.170 20 10 DGCDRN CN(C)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000757701713 621734544 /nfs/dbraw/zinc/73/45/44/621734544.db2.gz CAIFTYQYHZAQEZ-UHFFFAOYSA-N 0 0 306.312 3.048 20 10 DGCDRN CN(C)c1ccc(OCC(=O)NCc2cccc(Cl)c2)cc1 ZINC000757717353 621735826 /nfs/dbraw/zinc/73/58/26/621735826.db2.gz FWPSHGGSEDFVOA-UHFFFAOYSA-N 0 0 318.804 3.101 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2[C@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000757798364 621740414 /nfs/dbraw/zinc/74/04/14/621740414.db2.gz WJJNAPTWTXRZHX-BYHUGJBISA-N 0 0 304.346 3.158 20 10 DGCDRN COc1ccc(N(C)CC(=O)N(C)C2CCC(C)CC2)cc1F ZINC000757851650 621743047 /nfs/dbraw/zinc/74/30/47/621743047.db2.gz OOBRWIPSICZIJF-UHFFFAOYSA-N 0 0 322.424 3.308 20 10 DGCDRN COc1ccc(N(C)CC(=O)N[C@H]2CCCC[C@@H]2C)cc1Cl ZINC000757857476 621743475 /nfs/dbraw/zinc/74/34/75/621743475.db2.gz URDFHTGTPSQPBL-WFASDCNBSA-N 0 0 324.852 3.480 20 10 DGCDRN COc1ccc(N(C)CC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1Cl ZINC000757857933 621743540 /nfs/dbraw/zinc/74/35/40/621743540.db2.gz TWCNBIWBIAXIMX-STQMWFEESA-N 0 0 324.852 3.289 20 10 DGCDRN CCc1ccc(NC(=O)CN(C)c2ccc(OC)c(F)c2)cc1 ZINC000757858017 621743677 /nfs/dbraw/zinc/74/36/77/621743677.db2.gz VUEHXZINYQCLQC-UHFFFAOYSA-N 0 0 316.376 3.472 20 10 DGCDRN CC(C)(C)[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1O ZINC000757865408 621743730 /nfs/dbraw/zinc/74/37/30/621743730.db2.gz GBWWKERSEQOXHU-JSGCOSHPSA-N 0 0 315.816 3.414 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CCCSCC2)c1 ZINC000757874321 621744275 /nfs/dbraw/zinc/74/42/75/621744275.db2.gz FRMZIIHVROGFBT-UHFFFAOYSA-N 0 0 316.264 3.402 20 10 DGCDRN O=C(COC(=O)c1cccc(O)c1O)c1ccc2ccccc2c1 ZINC000758557567 621788950 /nfs/dbraw/zinc/78/89/50/621788950.db2.gz BRVRIYHMGOCMOM-UHFFFAOYSA-N 0 0 322.316 3.291 20 10 DGCDRN CCOc1ccc(NCc2cc3c(cc2O)OCO3)c(C)c1 ZINC000120139851 621790771 /nfs/dbraw/zinc/79/07/71/621790771.db2.gz KTQCCEODLOYGHT-UHFFFAOYSA-N 0 0 301.342 3.440 20 10 DGCDRN O=C(NCCCSc1nccs1)N[C@H]1CC12CCCC2 ZINC000759002221 621818402 /nfs/dbraw/zinc/81/84/02/621818402.db2.gz LCLWQXSDJFWLRW-NSHDSACASA-N 0 0 311.476 3.257 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H](C)c2ccncc2)cc1 ZINC000864926965 621831883 /nfs/dbraw/zinc/83/18/83/621831883.db2.gz PYEWPOYLRBAVMA-OAHLLOKOSA-N 0 0 311.429 3.348 20 10 DGCDRN C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1(C)C ZINC000759209644 621836978 /nfs/dbraw/zinc/83/69/78/621836978.db2.gz OYHHNDJEZMFDTC-CQSZACIVSA-N 0 0 303.450 3.330 20 10 DGCDRN Cc1cc(C(=O)NOCC(F)F)c(C)n1-c1cccc(C)c1 ZINC000759338728 621847339 /nfs/dbraw/zinc/84/73/39/621847339.db2.gz JPBLXWAZYHUNGC-UHFFFAOYSA-N 0 0 308.328 3.329 20 10 DGCDRN CCc1ccc(CCOC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000759592332 621873602 /nfs/dbraw/zinc/87/36/02/621873602.db2.gz FXKFVVGLJNQJJJ-CSKARUKUSA-N 0 0 312.365 3.459 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@@H](c1cccnc1)C1CC1 ZINC000759685074 621882789 /nfs/dbraw/zinc/88/27/89/621882789.db2.gz RWILASHUVMNFDW-QGZVFWFLSA-N 0 0 311.385 3.080 20 10 DGCDRN C[C@@H](Cc1ccccc1)NC(=S)N1Cc2cccc(O)c2C1 ZINC000865258752 621883427 /nfs/dbraw/zinc/88/34/27/621883427.db2.gz MMXIRBSCMDRCAB-ZDUSSCGKSA-N 0 0 312.438 3.214 20 10 DGCDRN C[C@H]1C[C@@H]1c1nnc(NCc2c(O)cccc2Br)o1 ZINC000865294612 621891547 /nfs/dbraw/zinc/89/15/47/621891547.db2.gz PYPFNJYMRXXDOU-YUMQZZPRSA-N 0 0 324.178 3.273 20 10 DGCDRN Cn1c(-c2ccccc2)cnc1SCOC1CCOCC1 ZINC000865348578 621898919 /nfs/dbraw/zinc/89/89/19/621898919.db2.gz VTVLSTAFANPNIP-UHFFFAOYSA-N 0 0 304.415 3.332 20 10 DGCDRN Clc1cnc(SC[C@H]2CC3(CO2)CCOCC3)s1 ZINC000865371669 621903648 /nfs/dbraw/zinc/90/36/48/621903648.db2.gz GWWCQLJJRCMXCF-SECBINFHSA-N 0 0 305.852 3.474 20 10 DGCDRN CN(C)c1ccc(CNCc2cccnc2Br)cc1 ZINC000865404480 621910822 /nfs/dbraw/zinc/91/08/22/621910822.db2.gz MJEBSNCPTJWTTA-UHFFFAOYSA-N 0 0 320.234 3.200 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC1CC=CC1 ZINC000760210073 621921107 /nfs/dbraw/zinc/92/11/07/621921107.db2.gz DGVSXQQJHVNHSQ-UHFFFAOYSA-N 0 0 301.434 3.391 20 10 DGCDRN CCO[C@H](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)C ZINC000760319342 621931157 /nfs/dbraw/zinc/93/11/57/621931157.db2.gz JCZPJUYGDPNHMA-QGZVFWFLSA-N 0 0 306.450 3.162 20 10 DGCDRN CCCn1cc(CNCc2cc(C)n(-c3ccccc3)c2C)nn1 ZINC000865642162 621969549 /nfs/dbraw/zinc/96/95/49/621969549.db2.gz CEZJTRMYUUDXKN-UHFFFAOYSA-N 0 0 323.444 3.385 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)c1ccc[nH]1 ZINC000760875721 621970670 /nfs/dbraw/zinc/97/06/70/621970670.db2.gz YLIUYTAUUPUVNT-ZDUSSCGKSA-N 0 0 301.390 3.403 20 10 DGCDRN C[C@@H](O)c1ccc(N2CC=C(c3ccc(Cl)nc3)CC2)nc1 ZINC000865658225 621973047 /nfs/dbraw/zinc/97/30/47/621973047.db2.gz YTLSTBYURGFBFR-GFCCVEGCSA-N 0 0 315.804 3.477 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[C@@H](O)C(F)(F)F ZINC000865711831 621981519 /nfs/dbraw/zinc/98/15/19/621981519.db2.gz RNWKCTLATMRRRI-XUOSJQGZSA-N 0 0 318.122 3.100 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[NH+]2CCC3(CCOC3)CC2)c1[O-] ZINC000761058163 621983162 /nfs/dbraw/zinc/98/31/62/621983162.db2.gz HROSNFDEFCLGJB-UHFFFAOYSA-N 0 0 323.820 3.251 20 10 DGCDRN Cc1ccccc1-c1nc(COC(=O)C2=CC(=O)CS2)no1 ZINC000761148738 621990767 /nfs/dbraw/zinc/99/07/67/621990767.db2.gz HZUCSXWIVGLFSU-UHFFFAOYSA-N 0 0 316.338 3.169 20 10 DGCDRN c1cc2nccnc2c(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000865840521 622005563 /nfs/dbraw/zinc/00/55/63/622005563.db2.gz KDOIJJSPWRYNPV-UHFFFAOYSA-N 0 0 320.396 3.079 20 10 DGCDRN CCO[C@@H](CC(=O)N[C@H](C)c1cc(OC)ccc1O)C(C)C ZINC000761539838 622015646 /nfs/dbraw/zinc/01/56/46/622015646.db2.gz DSPRSVIMLVQZAJ-WBMJQRKESA-N 0 0 309.406 3.029 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cccc2c1C(=O)CC2 ZINC000865903811 622018169 /nfs/dbraw/zinc/01/81/69/622018169.db2.gz HLFKBROAGKZHFW-UHFFFAOYSA-N 0 0 322.408 3.120 20 10 DGCDRN COc1ccc(CCNC(=O)C2=CC(=O)CS2)c(Cl)c1 ZINC000761590006 622019372 /nfs/dbraw/zinc/01/93/72/622019372.db2.gz CJGRHZCFQZDURB-UHFFFAOYSA-N 0 0 311.790 3.088 20 10 DGCDRN CSCCCN1C(=O)/C(=C\c2ccc(C)cn2)SC1=S ZINC000761784949 622029675 /nfs/dbraw/zinc/02/96/75/622029675.db2.gz GHAOHGLVTNKKJS-XYOKQWHBSA-N 0 0 324.496 3.344 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1ccc(C(F)(F)F)nc1 ZINC000761906142 622038396 /nfs/dbraw/zinc/03/83/96/622038396.db2.gz YVFDVSRUNRGYIR-UHFFFAOYSA-N 0 0 311.263 3.128 20 10 DGCDRN Cc1ccc(Cl)c(NC(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000120912296 622047280 /nfs/dbraw/zinc/04/72/80/622047280.db2.gz DXCPMYRVHDYJFX-UHFFFAOYSA-N 0 0 320.776 3.424 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(C(C)C)n2)c1 ZINC000762539099 622082491 /nfs/dbraw/zinc/08/24/91/622082491.db2.gz VETPHAVVMKIIFK-GFCCVEGCSA-N 0 0 314.385 3.410 20 10 DGCDRN CN(C)c1ccc(CNc2ccccc2C[S@](C)=O)cc1F ZINC000762556391 622083101 /nfs/dbraw/zinc/08/31/01/622083101.db2.gz QGXUAMSSWCTWGH-QFIPXVFZSA-N 0 0 320.433 3.382 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCOC[C@@H]1C ZINC000762707597 622093325 /nfs/dbraw/zinc/09/33/25/622093325.db2.gz TXDKRCVFGHRAQF-SMDDNHRTSA-N 0 0 318.442 3.310 20 10 DGCDRN Cc1nc2c(c(N[C@@H](C)Cc3ccc(O)c(O)c3)n1)CCCC2 ZINC000762800620 622099559 /nfs/dbraw/zinc/09/95/59/622099559.db2.gz UDMQCTSQEPCDIE-NSHDSACASA-N 0 0 313.401 3.118 20 10 DGCDRN COc1cccc(CNC(=O)Nc2scnc2C2CC2)c1O ZINC000762982380 622114431 /nfs/dbraw/zinc/11/44/31/622114431.db2.gz TWXYECPTIGPKQI-UHFFFAOYSA-N 0 0 319.386 3.056 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H](C)CC1(C)OCCO1)c1ccc(F)cc1[O-] ZINC000866427305 622116858 /nfs/dbraw/zinc/11/68/58/622116858.db2.gz KAQTZHVDIZMTEK-IUODEOHRSA-N 0 0 311.397 3.361 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)c2cnc(C)s2)c1 ZINC000866454865 622121243 /nfs/dbraw/zinc/12/12/43/622121243.db2.gz HKQYJBIYJXJUQC-VHSXEESVSA-N 0 0 320.414 3.356 20 10 DGCDRN CC(C)c1cc(C(=O)NCc2ccc3c(c2)CCCN3C)no1 ZINC000121093059 622129535 /nfs/dbraw/zinc/12/95/35/622129535.db2.gz NOJZADDWYJTIMX-UHFFFAOYSA-N 0 0 313.401 3.110 20 10 DGCDRN C[C@H]([NH2+][C@@H](C1CCC1)[C@H]1CCOC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866513021 622130214 /nfs/dbraw/zinc/13/02/14/622130214.db2.gz RHGPUTCRVCPLKH-BNLOLNQZSA-N 0 0 320.389 3.156 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1ccc(F)cc1[O-] ZINC000866530997 622132666 /nfs/dbraw/zinc/13/26/66/622132666.db2.gz DAGZRMPQADCXHA-GOEBONIOSA-N 0 0 323.408 3.158 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1cc(F)cc(F)c1[O-] ZINC000866538273 622134593 /nfs/dbraw/zinc/13/45/93/622134593.db2.gz QAPIRWKRFLKUNT-WBIUFABUSA-N 0 0 311.372 3.384 20 10 DGCDRN C/C=C\C[C@H](NCc1cc(Cl)cc(C)c1O)C(=O)OCC ZINC000763361413 622140634 /nfs/dbraw/zinc/14/06/34/622140634.db2.gz KILOWADIHMOZLM-SDQPKGBYSA-N 0 0 311.809 3.342 20 10 DGCDRN Cn1cc(CC[NH2+][C@@H]2CCc3cccc(O)c32)c2cccnc21 ZINC000866572597 622140996 /nfs/dbraw/zinc/14/09/96/622140996.db2.gz CPVJBDUWHKDFAC-MRXNPFEDSA-N 0 0 307.397 3.099 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC(=O)[C@H](C)C1 ZINC000763477297 622147611 /nfs/dbraw/zinc/14/76/11/622147611.db2.gz FSEFLHOTVZKHBC-ZBFHGGJFSA-N 0 0 316.445 3.106 20 10 DGCDRN CC(C)Oc1ccc(N(C)Cc2cn(C(C)(C)C)nn2)cc1 ZINC000763544945 622151713 /nfs/dbraw/zinc/15/17/13/622151713.db2.gz OVNDTZINUYNFBV-UHFFFAOYSA-N 0 0 302.422 3.457 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCC(F)(F)C1 ZINC000763587634 622153811 /nfs/dbraw/zinc/15/38/11/622153811.db2.gz DQDXKIFYDKSEAE-CQSZACIVSA-N 0 0 323.387 3.274 20 10 DGCDRN COC[C@H](C)OC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000866753397 622162091 /nfs/dbraw/zinc/16/20/91/622162091.db2.gz RHFXUVACUISONF-HNNXBMFYSA-N 0 0 320.433 3.184 20 10 DGCDRN C[C@@H](CCc1ccc(F)cc1)C(=O)NCc1ccc(O)c(O)c1 ZINC000866770614 622163023 /nfs/dbraw/zinc/16/30/23/622163023.db2.gz ZVBBGIQGHOAHBY-LBPRGKRZSA-N 0 0 317.360 3.122 20 10 DGCDRN CCO[C@@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)C1CCCC1 ZINC000866763233 622163296 /nfs/dbraw/zinc/16/32/96/622163296.db2.gz CMDSNJPERKJKKO-SJKOYZFVSA-N 0 0 321.417 3.173 20 10 DGCDRN COc1ccc(N(C)CC(=O)Nc2ccccc2C)cc1F ZINC000121799438 622181868 /nfs/dbraw/zinc/18/18/68/622181868.db2.gz UMIRLKYNPPYKSA-UHFFFAOYSA-N 0 0 302.349 3.218 20 10 DGCDRN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCc1cccc(Br)c1O ZINC000867830522 622186844 /nfs/dbraw/zinc/18/68/44/622186844.db2.gz BBYNYTVLHRSFMD-SASUGWTJSA-N 0 0 324.218 3.063 20 10 DGCDRN CC/C=C(/F)C(=O)NCc1cccc(Br)c1O ZINC000867831293 622187026 /nfs/dbraw/zinc/18/70/26/622187026.db2.gz TWKULZRQUPFJCX-ONNFQVAWSA-N 0 0 302.143 3.034 20 10 DGCDRN CCN(Cc1ccoc1C(=O)OC)Cc1ccc(N(C)C)cc1 ZINC000764339374 622189323 /nfs/dbraw/zinc/18/93/23/622189323.db2.gz RWIBYHIFXHJIGZ-UHFFFAOYSA-N 0 0 316.401 3.154 20 10 DGCDRN C[C@@H](NC(=O)NCC1(c2ccccc2)CC1)c1ccccc1O ZINC000867988164 622200881 /nfs/dbraw/zinc/20/08/81/622200881.db2.gz VBXDQQCQGSLLFX-CQSZACIVSA-N 0 0 310.397 3.484 20 10 DGCDRN Nc1ccc(CC(=O)N[C@H](Cc2cccnc2)C2CCCC2)cc1 ZINC000868026194 622206319 /nfs/dbraw/zinc/20/63/19/622206319.db2.gz HFNZNFPMBQTNNG-LJQANCHMSA-N 0 0 323.440 3.124 20 10 DGCDRN CCOc1cccc(CNC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000868056491 622209106 /nfs/dbraw/zinc/20/91/06/622209106.db2.gz IESAJDUJBLZOKL-ZDUSSCGKSA-N 0 0 314.385 3.351 20 10 DGCDRN CCC[C@@H](C)NC(=O)NCc1cccc(Br)c1O ZINC000764758659 622217867 /nfs/dbraw/zinc/21/78/67/622217867.db2.gz SGECHLNRDHEWNE-SECBINFHSA-N 0 0 315.211 3.143 20 10 DGCDRN CC(C)(C)OC(=O)c1ccc(C=C2SC(=S)NC2=O)cc1 ZINC000764888934 622230403 /nfs/dbraw/zinc/23/04/03/622230403.db2.gz OKWSNSNFGBAKKK-FLIBITNWSA-N 0 0 321.423 3.131 20 10 DGCDRN Cc1cnc(C)c(NCc2cccc(Br)c2O)n1 ZINC000764935340 622233878 /nfs/dbraw/zinc/23/38/78/622233878.db2.gz RSZMRQLIWDOARD-UHFFFAOYSA-N 0 0 308.179 3.174 20 10 DGCDRN O=[N+]([O-])c1ccc(NCc2cccc(Br)c2O)nc1 ZINC000764935365 622234011 /nfs/dbraw/zinc/23/40/11/622234011.db2.gz SCNUSYZRHARIAR-UHFFFAOYSA-N 0 0 324.134 3.070 20 10 DGCDRN Cc1cnc([C@@H](C)NC(=O)N[C@@H](C)c2ccccc2O)s1 ZINC000868343320 622236647 /nfs/dbraw/zinc/23/66/47/622236647.db2.gz OWSHNRQQKUMBOS-WDEREUQCSA-N 0 0 305.403 3.279 20 10 DGCDRN Cc1ccc2c(c1)[C@@H](NC(=O)N[C@H](C)c1ccccc1O)CO2 ZINC000868410935 622241803 /nfs/dbraw/zinc/24/18/03/622241803.db2.gz QTAHKZZPPXTMAQ-DOMZBBRYSA-N 0 0 312.369 3.195 20 10 DGCDRN C[C@@H](NC(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1)c1ccccc1O ZINC000868460960 622245497 /nfs/dbraw/zinc/24/54/97/622245497.db2.gz IBVBZADYOCRQAH-DVOMOZLQSA-N 0 0 320.433 3.346 20 10 DGCDRN COC[C@H](NC(=O)N[C@H](C)c1ccccc1O)c1ccccc1 ZINC000868470047 622246509 /nfs/dbraw/zinc/24/65/09/622246509.db2.gz PVAVBFGIDANZDT-CJNGLKHVSA-N 0 0 314.385 3.140 20 10 DGCDRN C[C@@H](NC(=O)NCCC[C@H]1CCCCO1)c1ccccc1O ZINC000868501261 622250931 /nfs/dbraw/zinc/25/09/31/622250931.db2.gz HDGRTJAYSSAPAU-ZIAGYGMSSA-N 0 0 306.406 3.102 20 10 DGCDRN O=C(NCc1ccc(C(F)F)cc1)NCc1ccccc1O ZINC000765322646 622259260 /nfs/dbraw/zinc/25/92/60/622259260.db2.gz GBBUHBAFOWIWLI-UHFFFAOYSA-N 0 0 306.312 3.329 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1cc(C(F)(F)F)ccn1 ZINC000765343531 622260370 /nfs/dbraw/zinc/26/03/70/622260370.db2.gz WSIRPLBLIWIPFO-UHFFFAOYSA-N 0 0 311.263 3.128 20 10 DGCDRN C[C@@H](NC(=O)NCC(C)(C)C(F)(F)F)c1ccccc1O ZINC000868587332 622261274 /nfs/dbraw/zinc/26/12/74/622261274.db2.gz UOWHRBVDRFHOEX-SECBINFHSA-N 0 0 304.312 3.341 20 10 DGCDRN C[C@@H](NC(=O)N[C@H](C)c1c(F)cncc1F)c1ccccc1O ZINC000868605473 622263192 /nfs/dbraw/zinc/26/31/92/622263192.db2.gz DUEQUWQSGPLIDF-NXEZZACHSA-N 0 0 321.327 3.187 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC(=O)CC1 ZINC000765419673 622264319 /nfs/dbraw/zinc/26/43/19/622264319.db2.gz HQDCPEGFVXIVFR-UHFFFAOYSA-N 0 0 310.397 3.208 20 10 DGCDRN Cc1cc([C@H]2CN(C(=O)C3=CC(=O)CS3)CCO2)ccc1F ZINC000765420534 622264371 /nfs/dbraw/zinc/26/43/71/622264371.db2.gz HETDLESXPXOVNU-CQSZACIVSA-N 0 0 321.373 3.115 20 10 DGCDRN C[C@@H](NC(=O)N[C@H]1c2ccccc2O[C@@H]1C)c1ccccc1O ZINC000868617237 622264338 /nfs/dbraw/zinc/26/43/38/622264338.db2.gz ABRYQBFRDBEBNI-PSTGCABASA-N 0 0 312.369 3.275 20 10 DGCDRN C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)c2ccccc2O1 ZINC000765650381 622279767 /nfs/dbraw/zinc/27/97/67/622279767.db2.gz LQIQOJBNMYRKMC-MRXNPFEDSA-N 0 0 324.424 3.311 20 10 DGCDRN O=C(NCc1cccc(Br)c1O)c1ccc(F)cc1 ZINC000765750713 622285355 /nfs/dbraw/zinc/28/53/55/622285355.db2.gz KJOKJVYNURDMNH-UHFFFAOYSA-N 0 0 324.149 3.224 20 10 DGCDRN O=C(/C=C\c1ccco1)NCc1cccc(Br)c1O ZINC000765765391 622286045 /nfs/dbraw/zinc/28/60/45/622286045.db2.gz RRZWNYQWPKCWFL-SREVYHEPSA-N 0 0 322.158 3.077 20 10 DGCDRN Oc1cccc(Cl)c1CNc1cccc2c1OCC[C@H]2O ZINC000766083897 622304558 /nfs/dbraw/zinc/30/45/58/622304558.db2.gz DKHIJRKEZGQMEH-OAHLLOKOSA-N 0 0 305.761 3.474 20 10 DGCDRN CC(C)(C)c1nc(CCNC(=O)C2=CC(=O)CS2)cs1 ZINC000766240192 622314589 /nfs/dbraw/zinc/31/45/89/622314589.db2.gz VZUVWSBHVDQUIH-UHFFFAOYSA-N 0 0 310.444 3.180 20 10 DGCDRN COC(=O)c1ccc(CN2CCCCc3cc(OC)ccc32)o1 ZINC000766270591 622316194 /nfs/dbraw/zinc/31/61/94/622316194.db2.gz JVOZZJUXAOZLHQ-UHFFFAOYSA-N 0 0 315.369 3.418 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cn1ccc(C(F)(F)F)n1 ZINC000766341846 622323137 /nfs/dbraw/zinc/32/31/37/622323137.db2.gz SCADBQHKLVUKOU-UHFFFAOYSA-N 0 0 311.307 3.321 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCOC[C@H]1C ZINC000766392097 622326169 /nfs/dbraw/zinc/32/61/69/622326169.db2.gz GPQYEXOPJCXXMW-QAPCUYQASA-N 0 0 318.461 3.162 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CC[C@H](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000766442843 622330138 /nfs/dbraw/zinc/33/01/38/622330138.db2.gz MZUXGIHIGHAHSX-REPZICSESA-N 0 0 318.373 3.263 20 10 DGCDRN COc1ccc(CNC(=S)Nc2cccc(Cl)c2)nc1 ZINC000766519477 622336217 /nfs/dbraw/zinc/33/62/17/622336217.db2.gz YGLYBTXFCOBCGP-UHFFFAOYSA-N 0 0 307.806 3.230 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCCc2cccnc21 ZINC000766684557 622346664 /nfs/dbraw/zinc/34/66/64/622346664.db2.gz MWKBFDUBWXNXEM-SFHVURJKSA-N 0 0 323.440 3.192 20 10 DGCDRN Cc1cc(CNC(=O)CC2CSC2)c(C)n1-c1ccccc1 ZINC000869455852 622359799 /nfs/dbraw/zinc/35/97/99/622359799.db2.gz AVYMECXFUQPOFF-UHFFFAOYSA-N 0 0 314.454 3.463 20 10 DGCDRN CCN(C)c1ccc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)cc1 ZINC000767061364 622372655 /nfs/dbraw/zinc/37/26/55/622372655.db2.gz ZSZMFRPCMDIZTO-UHFFFAOYSA-N 0 0 300.362 3.173 20 10 DGCDRN [O-]c1c(Br)cccc1C[NH2+][C@H]1CCCSC1 ZINC000129238351 625561148 /nfs/dbraw/zinc/56/11/48/625561148.db2.gz GFAFSLNWTZBNOK-JTQLQIEISA-N 0 0 302.237 3.140 20 10 DGCDRN CC/C=C\CCN(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000767325764 622390600 /nfs/dbraw/zinc/39/06/00/622390600.db2.gz XIDSYUDKDUAZNR-PLNGDYQASA-N 0 0 311.809 3.377 20 10 DGCDRN Cc1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)c(C)nn1 ZINC000767339702 622390809 /nfs/dbraw/zinc/39/08/09/622390809.db2.gz STYGSHNOLYUBIP-UHFFFAOYSA-N 0 0 324.428 3.014 20 10 DGCDRN CC(C)(C)c1ccccc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000122801705 622411757 /nfs/dbraw/zinc/41/17/57/622411757.db2.gz AIKWFPJESDTCPB-UHFFFAOYSA-N 0 0 313.397 3.368 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CCC(CCO)CC1 ZINC000768236932 622447065 /nfs/dbraw/zinc/44/70/65/622447065.db2.gz MWGZRDFHFXDXRY-UHFFFAOYSA-N 0 0 304.217 3.293 20 10 DGCDRN C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cc(F)cc(F)c1[O-] ZINC000768237335 622447277 /nfs/dbraw/zinc/44/72/77/622447277.db2.gz JOXGOCVYOZOOOZ-CWAOCDLLSA-N 0 0 309.356 3.279 20 10 DGCDRN O=C(NCc1ccccc1O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000768286481 622448381 /nfs/dbraw/zinc/44/83/81/622448381.db2.gz LGYLNBYOYBDTIP-NEPJUHHUSA-N 0 0 321.298 3.229 20 10 DGCDRN Cc1ccc(F)c(CN(C)C(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000768347747 622451298 /nfs/dbraw/zinc/45/12/98/622451298.db2.gz ZQYLURLMBIMQKZ-YVMONPNESA-N 0 0 315.344 3.217 20 10 DGCDRN COc1cc(O)c(CN2CC[C@H]2c2cccc(F)c2)cc1OC ZINC000768465282 622458309 /nfs/dbraw/zinc/45/83/09/622458309.db2.gz FIMCXVQQXVSVHD-HNNXBMFYSA-N 0 0 317.360 3.496 20 10 DGCDRN C[C@@H]1CCc2ccccc2N1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768462123 622458330 /nfs/dbraw/zinc/45/83/30/622458330.db2.gz JPPFFUAGPOINJF-XIKOKIGWSA-N 0 0 311.381 3.159 20 10 DGCDRN CCN(CC)c1ccc(CN(CC(=O)OC)C(C)C)cc1F ZINC000768689762 622471641 /nfs/dbraw/zinc/47/16/41/622471641.db2.gz UYMUDTIXILKEKC-UHFFFAOYSA-N 0 0 310.413 3.055 20 10 DGCDRN COCc1ccc([C@@H]2CCCN2C(=O)C2=CC(=O)CS2)o1 ZINC000768737463 622473578 /nfs/dbraw/zinc/47/35/78/622473578.db2.gz PSLNBVIDJYWMEC-LBPRGKRZSA-N 0 0 307.371 3.170 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CCC(C)(C)C2)cc1F ZINC000768764281 622475559 /nfs/dbraw/zinc/47/55/59/622475559.db2.gz MWLDVPOXSLTQAC-CYBMUJFWSA-N 0 0 307.413 3.270 20 10 DGCDRN CC[C@@H](CCO)NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000768858634 622481368 /nfs/dbraw/zinc/48/13/68/622481368.db2.gz MTJINRSFKYVVSF-INIZCTEOSA-N 0 0 314.429 3.293 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C=C\c2ccsc2)c1 ZINC000768911753 622484977 /nfs/dbraw/zinc/48/49/77/622484977.db2.gz SYNWVLIXSKJXEZ-ZTYXWKCZSA-N 0 0 303.383 3.353 20 10 DGCDRN CN(C)c1ccc(CN2CCOc3ccccc3C2)cc1F ZINC000768939714 622486505 /nfs/dbraw/zinc/48/65/05/622486505.db2.gz CKSZPXYODPNYOG-UHFFFAOYSA-N 0 0 300.377 3.286 20 10 DGCDRN CC(=O)N1CCc2c1cccc2NCc1ccc(N(C)C)cc1 ZINC000768948062 622487603 /nfs/dbraw/zinc/48/76/03/622487603.db2.gz VMQNFOQSROBUOV-UHFFFAOYSA-N 0 0 309.413 3.274 20 10 DGCDRN C[C@@H](CCC1CC1)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000768967957 622488565 /nfs/dbraw/zinc/48/85/65/622488565.db2.gz LIDISGWBTLVIDY-AWEZNQCLSA-N 0 0 315.461 3.447 20 10 DGCDRN C[C@@H](CCC1CC1)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000768965432 622488573 /nfs/dbraw/zinc/48/85/73/622488573.db2.gz DTLXHGKQFHDEKQ-AWEZNQCLSA-N 0 0 303.450 3.473 20 10 DGCDRN CCCN(CC(=O)OCC)Cc1ccc(N2CCCCC2)cc1 ZINC000768998450 622490981 /nfs/dbraw/zinc/49/09/81/622490981.db2.gz MDYHVBNZUSSQQF-UHFFFAOYSA-N 0 0 318.461 3.452 20 10 DGCDRN CCN(CC)c1ccc(CN(CCOC)CC(F)F)cc1F ZINC000769305187 622515738 /nfs/dbraw/zinc/51/57/38/622515738.db2.gz JXGXDQBKDGBMQH-UHFFFAOYSA-N 0 0 318.383 3.385 20 10 DGCDRN C[C@H](CSc1ccccc1)C(=O)NCc1ccccc1O ZINC000769363580 622520445 /nfs/dbraw/zinc/52/04/45/622520445.db2.gz VQIQJVXMIDVTMK-CYBMUJFWSA-N 0 0 301.411 3.437 20 10 DGCDRN CCOc1ccc(C[N@H+](CCOC)Cc2ccc(C)o2)c(O)c1 ZINC000769502197 622535051 /nfs/dbraw/zinc/53/50/51/622535051.db2.gz WKOPSHWACBGEBL-UHFFFAOYSA-N 0 0 319.401 3.341 20 10 DGCDRN CC(C)OC(=O)[C@H](C)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000769523392 622538087 /nfs/dbraw/zinc/53/80/87/622538087.db2.gz ANUVLONDPVFYRF-INIZCTEOSA-N 0 0 318.461 3.449 20 10 DGCDRN C[C@@H](N1CCN(Cc2c(O)cccc2Cl)CC1)C(F)(F)F ZINC000769554310 622540330 /nfs/dbraw/zinc/54/03/30/622540330.db2.gz NFVGKFQXTRFWFI-SNVBAGLBSA-N 0 0 322.758 3.114 20 10 DGCDRN COc1cc(C)c(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1C ZINC000769697755 622550819 /nfs/dbraw/zinc/55/08/19/622550819.db2.gz UWFACPYQNOASKQ-ALCCZGGFSA-N 0 0 313.353 3.375 20 10 DGCDRN CNC(=O)c1ccc(NCc2cc(C)ccc2O)cc1Cl ZINC000789890824 625576948 /nfs/dbraw/zinc/57/69/48/625576948.db2.gz XFBNMGUVBRRGMV-UHFFFAOYSA-N 0 0 304.777 3.326 20 10 DGCDRN C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1Cc2cccc(O)c2C1 ZINC000871198660 622565597 /nfs/dbraw/zinc/56/55/97/622565597.db2.gz MIQYIQBRRFKYMJ-CYBMUJFWSA-N 0 0 323.392 3.191 20 10 DGCDRN O=C(CCCn1cnc2ccccc21)N1Cc2cccc(O)c2C1 ZINC000871201707 622566330 /nfs/dbraw/zinc/56/63/30/622566330.db2.gz YYLCQTVBQCKUGR-UHFFFAOYSA-N 0 0 321.380 3.065 20 10 DGCDRN CC1(C)Cc2ccc(C(=O)N3Cc4cccc(O)c4C3)cc2O1 ZINC000871199984 622566435 /nfs/dbraw/zinc/56/64/35/622566435.db2.gz XFCIPKQBUVIAOJ-UHFFFAOYSA-N 0 0 309.365 3.262 20 10 DGCDRN CC[C@H](OC1CCCCC1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871202799 622567306 /nfs/dbraw/zinc/56/73/06/622567306.db2.gz GLLKBSJULGCLSS-KRWDZBQOSA-N 0 0 303.402 3.362 20 10 DGCDRN CC[C@H](C(=O)N1Cc2cccc(O)c2C1)c1ccc(OC)cc1 ZINC000871204354 622567913 /nfs/dbraw/zinc/56/79/13/622567913.db2.gz YQOOWOWYFPRUHK-INIZCTEOSA-N 0 0 311.381 3.437 20 10 DGCDRN COc1cccc([C@@H]2C[C@H]2C(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871205729 622567938 /nfs/dbraw/zinc/56/79/38/622567938.db2.gz KLNJBYANMKHUKT-JKSUJKDBSA-N 0 0 309.365 3.047 20 10 DGCDRN COc1ccc(NCc2cc3c(cc2O)OCO3)c2ncccc12 ZINC000769943271 622579966 /nfs/dbraw/zinc/57/99/66/622579966.db2.gz KCWXJNDLWQGGFR-UHFFFAOYSA-N 0 0 324.336 3.290 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)/C=C/c2cccc(O)c2)cc1 ZINC000123585960 622604240 /nfs/dbraw/zinc/60/42/40/622604240.db2.gz SHCFVFIDCMPYTM-FMIVXFBMSA-N 0 0 310.397 3.130 20 10 DGCDRN Cc1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)ccn1 ZINC000789916138 625579997 /nfs/dbraw/zinc/57/99/97/625579997.db2.gz FSAFNFPMDGRFFF-UHFFFAOYSA-N 0 0 309.413 3.310 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C2C[C@H]3CC[C@@H](C2)S3)cc1F ZINC000888576836 622623668 /nfs/dbraw/zinc/62/36/68/622623668.db2.gz LDBZXGSIDBLJJE-AGUYFDCRSA-N 0 0 322.449 3.182 20 10 DGCDRN CCOc1ccc(CNc2cc(OC)ccc2OC)c(O)c1 ZINC000770421952 622632608 /nfs/dbraw/zinc/63/26/08/622632608.db2.gz AKUGDSXJVAGDEV-UHFFFAOYSA-N 0 0 303.358 3.420 20 10 DGCDRN Cc1ccc(C(=O)Nc2cccc(Cl)c2N(C)C)c(O)c1O ZINC000770476500 622637453 /nfs/dbraw/zinc/63/74/53/622637453.db2.gz MYJLYZOLPNONKO-UHFFFAOYSA-N 0 0 320.776 3.378 20 10 DGCDRN Cc1ccc(N(C)C(=O)/C=C\c2cncc(O)c2)cc1Cl ZINC000770490723 622638765 /nfs/dbraw/zinc/63/87/65/622638765.db2.gz MFQYHGVVYYYCFF-XQRVVYSFSA-N 0 0 302.761 3.425 20 10 DGCDRN Cc1ccc(C(=O)NCCc2cc3ccccc3o2)c(O)c1O ZINC000770501138 622639639 /nfs/dbraw/zinc/63/96/39/622639639.db2.gz CLZUEDNTQDGIKQ-UHFFFAOYSA-N 0 0 311.337 3.125 20 10 DGCDRN CN(Cc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000770500506 622639760 /nfs/dbraw/zinc/63/97/60/622639760.db2.gz DHUHKLIYEXSVPF-UHFFFAOYSA-N 0 0 300.377 3.299 20 10 DGCDRN CCS[C@H]1CCCC[C@H]1NC(=O)c1ccc(C)c(O)c1O ZINC000770506243 622640455 /nfs/dbraw/zinc/64/04/55/622640455.db2.gz OMWZKGZKEGJWCF-OLZOCXBDSA-N 0 0 309.431 3.200 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)C1=CCCCO1 ZINC000770588057 622648943 /nfs/dbraw/zinc/64/89/43/622648943.db2.gz YHLKJJDXTUVGCA-UHFFFAOYSA-N 0 0 320.352 3.029 20 10 DGCDRN CC1(C)Cc2cc(NCc3cc4c(cc3O)OCO4)ccc2O1 ZINC000770600404 622650581 /nfs/dbraw/zinc/65/05/81/622650581.db2.gz GSDSTIBVLYWXLS-UHFFFAOYSA-N 0 0 313.353 3.447 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1ncc(Cl)s1 ZINC000770664945 622657960 /nfs/dbraw/zinc/65/79/60/622657960.db2.gz NJXUDVJQHRSWAH-UHFFFAOYSA-N 0 0 309.822 3.262 20 10 DGCDRN COc1cccc(O)c1CN1CCSC[C@H]1c1nccs1 ZINC000770673144 622659497 /nfs/dbraw/zinc/65/94/97/622659497.db2.gz GJHHGHOKATYKLQ-LBPRGKRZSA-N 0 0 322.455 3.147 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)OCCc2cn[nH]c2)cc1 ZINC000770766739 622668895 /nfs/dbraw/zinc/66/88/95/622668895.db2.gz XKIIXISJIJWJPY-UHFFFAOYSA-N 0 0 309.369 3.217 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)O[C@H]1CCO[C@@H]1C ZINC000771036516 622706979 /nfs/dbraw/zinc/70/69/79/622706979.db2.gz LFOPQRSTCQUUPV-OCCSQVGLSA-N 0 0 305.399 3.490 20 10 DGCDRN CC(C)Nc1ccccc1NCc1cc(=O)n2ccsc2n1 ZINC000871847539 622714909 /nfs/dbraw/zinc/71/49/09/622714909.db2.gz SYIWWLWCTTZHKU-UHFFFAOYSA-N 0 0 314.414 3.188 20 10 DGCDRN Cc1ccc(C[C@@H](C)NC(=O)c2c(F)ccc(O)c2O)c(C)c1 ZINC000789975729 625589951 /nfs/dbraw/zinc/58/99/51/625589951.db2.gz CGPKFASVACPWSH-GFCCVEGCSA-N 0 0 317.360 3.215 20 10 DGCDRN O=C(c1c(F)ccc(O)c1O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000789980229 625590489 /nfs/dbraw/zinc/59/04/89/625590489.db2.gz WWESEWSDCYSCBD-KRWDZBQOSA-N 0 0 305.349 3.199 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2nc(Cl)cs2)c1 ZINC000789995376 625591417 /nfs/dbraw/zinc/59/14/17/625591417.db2.gz HTWDNWJUNKZLFR-ZETCQYMHSA-N 0 0 312.778 3.002 20 10 DGCDRN CCSCc1ccccc1C(=O)NCc1ccc(O)c(O)c1 ZINC000789995018 625591577 /nfs/dbraw/zinc/59/15/77/625591577.db2.gz DZCNPQUGZQPVDW-UHFFFAOYSA-N 0 0 317.410 3.281 20 10 DGCDRN CCC(CC)n1ccc(COC(=O)c2ccc(C)c(O)c2O)n1 ZINC000771347800 622746438 /nfs/dbraw/zinc/74/64/38/622746438.db2.gz JUZSOOQQOPQBCU-UHFFFAOYSA-N 0 0 318.373 3.321 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2ccc(C)c(Cl)c2F)c1 ZINC000789996288 625591782 /nfs/dbraw/zinc/59/17/82/625591782.db2.gz OJJQAEIBPRWYSL-UHFFFAOYSA-N 0 0 323.751 3.432 20 10 DGCDRN Cc1cc(C(=O)Nc2ccc(CO)cc2)c(C)n1-c1ccccn1 ZINC000771482142 622765691 /nfs/dbraw/zinc/76/56/91/622765691.db2.gz MQLVHECSSIJGMY-UHFFFAOYSA-N 0 0 321.380 3.234 20 10 DGCDRN CCCOc1cccc(CCNC(=O)C2=CC(=O)CS2)c1 ZINC000771656396 622784618 /nfs/dbraw/zinc/78/46/18/622784618.db2.gz ODPKDQOTBUFOOW-UHFFFAOYSA-N 0 0 305.399 3.215 20 10 DGCDRN Cc1cc(C(=O)NCC(C)(C)CO)c(C)n1-c1ccccc1C ZINC000771677894 622786604 /nfs/dbraw/zinc/78/66/04/622786604.db2.gz GRUFWJGNRYFTGH-UHFFFAOYSA-N 0 0 314.429 3.151 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ccnc(F)c1[N+](=O)[O-] ZINC000881987937 625601892 /nfs/dbraw/zinc/60/18/92/625601892.db2.gz JCWAVAAXFMINPJ-UHFFFAOYSA-N 0 0 304.325 3.115 20 10 DGCDRN C[C@H]([NH2+]Cc1ncc(Cl)s1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000872117067 622817964 /nfs/dbraw/zinc/81/79/64/622817964.db2.gz YHMXYLIWSYHJSY-ZETCQYMHSA-N 0 0 313.766 3.261 20 10 DGCDRN CCCN(CC(=O)OC)Cc1cc(-c2ccccc2)ccc1O ZINC000771934637 622820343 /nfs/dbraw/zinc/82/03/43/622820343.db2.gz BSTVYFZPDIZWKK-UHFFFAOYSA-N 0 0 313.397 3.444 20 10 DGCDRN Cn1ncc(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)n1 ZINC000790087330 625602654 /nfs/dbraw/zinc/60/26/54/625602654.db2.gz RTQNHPFLNCGHQD-UHFFFAOYSA-N 0 0 306.329 3.483 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(OC)CCCCC1 ZINC000772487914 622901724 /nfs/dbraw/zinc/90/17/24/622901724.db2.gz HCSXIEUXGUYOIU-UHFFFAOYSA-N 0 0 318.461 3.450 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(C2CC2)cc1 ZINC000772569182 622912287 /nfs/dbraw/zinc/91/22/87/622912287.db2.gz WRAWQYQEQJNNKI-UHFFFAOYSA-N 0 0 312.369 3.339 20 10 DGCDRN CC[C@@H](C)OCC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000124087319 622916203 /nfs/dbraw/zinc/91/62/03/622916203.db2.gz NPCWBEAPEXGLCC-CQSZACIVSA-N 0 0 317.385 3.329 20 10 DGCDRN CCOCCONC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000772699355 622930065 /nfs/dbraw/zinc/93/00/65/622930065.db2.gz NIEXELJRQJHRSS-UHFFFAOYSA-N 0 0 316.401 3.100 20 10 DGCDRN Cc1cccc(OCCOC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000772775231 622936795 /nfs/dbraw/zinc/93/67/95/622936795.db2.gz NIKIMCGAAKDDLG-VURMDHGXSA-N 0 0 314.337 3.042 20 10 DGCDRN C[C@@H](NC(=O)c1ccc2nccnc2c1)c1ccc(N(C)C)cc1 ZINC000773000341 622963900 /nfs/dbraw/zinc/96/39/00/622963900.db2.gz OQJYMCNKYNXFRH-CYBMUJFWSA-N 0 0 320.396 3.187 20 10 DGCDRN C[C@@H](NC(=O)C[C@H]1CSCCS1)c1ccc(N(C)C)cc1 ZINC000773001598 622964178 /nfs/dbraw/zinc/96/41/78/622964178.db2.gz VOCSCLOIEOMCQD-DOMZBBRYSA-N 0 0 324.515 3.169 20 10 DGCDRN C[C@@H](NC(=O)c1cnc2ccccc2n1)c1ccc(N(C)C)cc1 ZINC000773017401 622968129 /nfs/dbraw/zinc/96/81/29/622968129.db2.gz GLFCJKDLFZKCCC-CYBMUJFWSA-N 0 0 320.396 3.187 20 10 DGCDRN COc1ccccc1CC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773016012 622968370 /nfs/dbraw/zinc/96/83/70/622968370.db2.gz SDJMWUYZPUVZFI-CQSZACIVSA-N 0 0 312.413 3.181 20 10 DGCDRN C[C@H](NC(=O)Cc1cc(F)ccc1F)c1ccc(N(C)C)cc1 ZINC000773021069 622968660 /nfs/dbraw/zinc/96/86/60/622968660.db2.gz RMGZJHNOTWEEHV-LBPRGKRZSA-N 0 0 318.367 3.451 20 10 DGCDRN Cc1noc(C(F)F)c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773018752 622968874 /nfs/dbraw/zinc/96/88/74/622968874.db2.gz ZXYHPRUUVSXMCG-VIFPVBQESA-N 0 0 323.343 3.478 20 10 DGCDRN Cc1ccsc1S(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773086534 622981045 /nfs/dbraw/zinc/98/10/45/622981045.db2.gz CMXHITAOAZABPR-GFCCVEGCSA-N 0 0 324.471 3.162 20 10 DGCDRN C[C@H](NC(=O)Nn1cnc2ccccc21)c1ccc(N(C)C)cc1 ZINC000773135478 622990091 /nfs/dbraw/zinc/99/00/91/622990091.db2.gz NBEYRTINXYFDKI-ZDUSSCGKSA-N 0 0 323.400 3.117 20 10 DGCDRN CS[C@@H](C)CCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000773232780 623002833 /nfs/dbraw/zinc/00/28/33/623002833.db2.gz SVYBDHKPGXIICE-AWEZNQCLSA-N 0 0 306.475 3.435 20 10 DGCDRN CCCC[C@@H](COC)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773305968 623010833 /nfs/dbraw/zinc/01/08/33/623010833.db2.gz LSSGIPWECQPHIX-ZBFHGGJFSA-N 0 0 321.465 3.318 20 10 DGCDRN Cc1cnc(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000773324322 623012353 /nfs/dbraw/zinc/01/23/53/623012353.db2.gz HUJQTYAQLXTJFQ-LBPRGKRZSA-N 0 0 318.446 3.078 20 10 DGCDRN C[C@@H](NC(=O)NC[C@H]1CCCS1)c1ccc(N(C)C)cc1 ZINC000773375802 623018857 /nfs/dbraw/zinc/01/88/57/623018857.db2.gz MDMUKFQWLMEGGH-IUODEOHRSA-N 0 0 307.463 3.008 20 10 DGCDRN Cc1cc(C(=O)NCCC(C)(C)O)c(C)n1-c1ccc(F)cc1 ZINC000773392510 623021839 /nfs/dbraw/zinc/02/18/39/623021839.db2.gz PHSMOWYHHPPNCZ-UHFFFAOYSA-N 0 0 318.392 3.124 20 10 DGCDRN Cc1cc(C(=O)NN2CCCC2)c(C)n1-c1cccc(Cl)c1 ZINC000773406864 623023313 /nfs/dbraw/zinc/02/33/13/623023313.db2.gz ATYUDBPKVYBLCG-UHFFFAOYSA-N 0 0 317.820 3.488 20 10 DGCDRN O=C(N(Cc1ccccc1O)C[C@H]1CCCO1)C1(F)CCCC1 ZINC000773474438 623032649 /nfs/dbraw/zinc/03/26/49/623032649.db2.gz HSUKBFFMDFJKML-OAHLLOKOSA-N 0 0 321.392 3.182 20 10 DGCDRN CS[C@@H](C)CCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000773478069 623033299 /nfs/dbraw/zinc/03/32/99/623033299.db2.gz YYCSVXYWZSLYPD-LBPRGKRZSA-N 0 0 307.459 3.419 20 10 DGCDRN CSC[C@H]1CCCN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773613337 623051092 /nfs/dbraw/zinc/05/10/92/623051092.db2.gz QBEVTCMUDPOANC-CZUORRHYSA-N 0 0 321.490 3.351 20 10 DGCDRN CC(C)OCCCN(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773627203 623053298 /nfs/dbraw/zinc/05/32/98/623053298.db2.gz WJPWSIAOPOYNMV-HNNXBMFYSA-N 0 0 321.465 3.270 20 10 DGCDRN O=C1OCC[C@@H]1CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000873162478 623058236 /nfs/dbraw/zinc/05/82/36/623058236.db2.gz MGESTFSPIKHYPF-VIFPVBQESA-N 0 0 318.200 3.132 20 10 DGCDRN Cc1ccc(F)c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1F ZINC000773749651 623067605 /nfs/dbraw/zinc/06/76/05/623067605.db2.gz SCZCBTDUYINZKN-SNVBAGLBSA-N 0 0 321.323 3.045 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[N@@H+]1CCOc2cc(N)ccc2C1 ZINC000873218276 623077774 /nfs/dbraw/zinc/07/77/74/623077774.db2.gz BCFYIIFGCXFKMA-UHFFFAOYSA-N 0 0 311.429 3.038 20 10 DGCDRN C[C@@H](NC(=S)NC(C1CC1)C1CC1)c1ccc(N(C)C)cc1 ZINC000774251539 623124943 /nfs/dbraw/zinc/12/49/43/623124943.db2.gz ABSAUHICSXACLB-GFCCVEGCSA-N 0 0 317.502 3.466 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1cc(F)cc(F)c1[O-] ZINC000774377334 623137607 /nfs/dbraw/zinc/13/76/07/623137607.db2.gz FZXDNWQJEAUJRY-RISCZKNCSA-N 0 0 310.388 3.338 20 10 DGCDRN CCOC(=O)[C@@H](CC(C)C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774481211 623151512 /nfs/dbraw/zinc/15/15/12/623151512.db2.gz HQWQFFDABNHYEO-RHSMWYFYSA-N 0 0 306.450 3.381 20 10 DGCDRN Cc1conc1NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000790244981 625622550 /nfs/dbraw/zinc/62/25/50/625622550.db2.gz CEALNYNSKFUQML-UHFFFAOYSA-N 0 0 316.361 3.494 20 10 DGCDRN CC[C@@]1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000774883698 623205108 /nfs/dbraw/zinc/20/51/08/623205108.db2.gz ISBFWLGXDPMZRM-INIZCTEOSA-N 0 0 308.378 3.321 20 10 DGCDRN CC[C@@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000775023797 623217293 /nfs/dbraw/zinc/21/72/93/623217293.db2.gz MDIXZIKHQBMSCJ-YPMHNXCESA-N 0 0 308.378 3.367 20 10 DGCDRN COc1c([O-])c(C[NH2+]C2C[C@@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000775028252 623218392 /nfs/dbraw/zinc/21/83/92/623218392.db2.gz OPZYWSMLCIWXSH-QWRGUYRKSA-N 0 0 308.378 3.223 20 10 DGCDRN CCC1(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CCCC1 ZINC000775035393 623219070 /nfs/dbraw/zinc/21/90/70/623219070.db2.gz ZAQZZZFCRCPEST-UHFFFAOYSA-N 0 0 308.378 3.369 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@H]2CCCCC2(C)C)ccc1[N+](=O)[O-] ZINC000775036824 623219178 /nfs/dbraw/zinc/21/91/78/623219178.db2.gz FZOHHVBHHDHMKX-ZDUSSCGKSA-N 0 0 308.378 3.367 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000775056115 623222264 /nfs/dbraw/zinc/22/22/64/623222264.db2.gz VTWMANYEGBFTAV-YUTCNCBUSA-N 0 0 320.389 3.320 20 10 DGCDRN Cc1noc(Cl)c1CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775402852 623269448 /nfs/dbraw/zinc/26/94/48/623269448.db2.gz DKMIZIGWIZFKJG-JTQLQIEISA-N 0 0 321.808 3.122 20 10 DGCDRN Cc1cccnc1/C=C/C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775404302 623269531 /nfs/dbraw/zinc/26/95/31/623269531.db2.gz MOAMTPVXLRVSOA-AYJWMTRPSA-N 0 0 309.413 3.347 20 10 DGCDRN Cc1ccc(C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775402585 623269801 /nfs/dbraw/zinc/26/98/01/623269801.db2.gz HTWKLZFOUFQXOZ-AWEZNQCLSA-N 0 0 310.397 3.121 20 10 DGCDRN C[C@H](NC(=O)c1cc(F)ccc1O)c1ccc(N(C)C)cc1 ZINC000775411035 623270900 /nfs/dbraw/zinc/27/09/00/623270900.db2.gz NQTAMRWADBWTHH-NSHDSACASA-N 0 0 302.349 3.088 20 10 DGCDRN C[C@H](NC(=O)c1cc2ccccn2c1)c1ccc(N(C)C)cc1 ZINC000775412215 623272274 /nfs/dbraw/zinc/27/22/74/623272274.db2.gz VDQHORIUFXOQRD-AWEZNQCLSA-N 0 0 307.397 3.496 20 10 DGCDRN CC[C@H]([NH2+]CCN1CCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775525080 623285296 /nfs/dbraw/zinc/28/52/96/623285296.db2.gz XNQXKTNKEPCKQN-LBPRGKRZSA-N 0 0 303.233 3.445 20 10 DGCDRN COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])C1 ZINC000775582694 623293874 /nfs/dbraw/zinc/29/38/74/623293874.db2.gz XPBLAHUDKHBNBZ-UPJWGTAASA-N 0 0 324.396 3.049 20 10 DGCDRN CCN(Cc1ncc(COC)s1)Cc1ccc(N(C)C)cc1 ZINC000775636864 623301383 /nfs/dbraw/zinc/30/13/83/623301383.db2.gz IIWXMWAMKPNYEN-UHFFFAOYSA-N 0 0 319.474 3.378 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000775674438 623311333 /nfs/dbraw/zinc/31/13/33/623311333.db2.gz ARMWVOJQXXOQMM-ZDUSSCGKSA-N 0 0 309.772 3.218 20 10 DGCDRN CC(C)(C)C[N@H+](CCCO)Cc1cc(Cl)cc(F)c1[O-] ZINC000775680231 623312119 /nfs/dbraw/zinc/31/21/19/623312119.db2.gz FMNTYUOSOWRTCW-UHFFFAOYSA-N 0 0 303.805 3.415 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000775724423 623319606 /nfs/dbraw/zinc/31/96/06/623319606.db2.gz CVFZJOJPBOYXSU-GFCCVEGCSA-N 0 0 313.800 3.433 20 10 DGCDRN CNC(=O)c1ccc(OC)c(NCc2cccc(Cl)c2O)c1 ZINC000775752567 623325016 /nfs/dbraw/zinc/32/50/16/623325016.db2.gz CUVYTVPYYVRQCG-UHFFFAOYSA-N 0 0 320.776 3.026 20 10 DGCDRN CC[C@H](CO)NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000775874714 623345174 /nfs/dbraw/zinc/34/51/74/623345174.db2.gz ACSCAUGMZZLEDR-MRXNPFEDSA-N 0 0 314.429 3.212 20 10 DGCDRN COc1ncc(/C=C/C(=O)N2CCC[C@@H](C)c3ccccc32)cn1 ZINC000775898440 623347771 /nfs/dbraw/zinc/34/77/71/623347771.db2.gz WRKCHLNNWXYAFL-ATWMFIQVSA-N 0 0 323.396 3.429 20 10 DGCDRN CC(C)(C)[C@H](NC(=O)NCc1ccccc1O)C(F)(F)F ZINC000775982020 623360236 /nfs/dbraw/zinc/36/02/36/623360236.db2.gz XKCAFBSLLVMCKW-NSHDSACASA-N 0 0 304.312 3.168 20 10 DGCDRN CC[C@@H](C)n1nc(NC(=O)NCc2ccccc2O)cc1C ZINC000776026592 623366293 /nfs/dbraw/zinc/36/62/93/623366293.db2.gz QAZOACLMSZBVJO-LLVKDONJSA-N 0 0 302.378 3.190 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCN1CCc2ccccc21 ZINC000776089453 623375279 /nfs/dbraw/zinc/37/52/79/623375279.db2.gz SAADZFICSZYZTL-UHFFFAOYSA-N 0 0 320.795 3.337 20 10 DGCDRN C[C@@H]1CCCCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000776126397 623382135 /nfs/dbraw/zinc/38/21/35/623382135.db2.gz BXRFLACNCWDVRA-OAHLLOKOSA-N 0 0 315.461 3.401 20 10 DGCDRN C[C@](O)(C[NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccsc1 ZINC000776208715 623397132 /nfs/dbraw/zinc/39/71/32/623397132.db2.gz KVERLOYYTUKFCC-AWEZNQCLSA-N 0 0 315.797 3.244 20 10 DGCDRN CCC1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCOCC1 ZINC000776219387 623398594 /nfs/dbraw/zinc/39/85/94/623398594.db2.gz GITDANQUPLMPSH-UHFFFAOYSA-N 0 0 301.789 3.481 20 10 DGCDRN CCCCCN(CCO)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776245746 623401110 /nfs/dbraw/zinc/40/11/10/623401110.db2.gz NNEKUGUGDWHIMS-OAHLLOKOSA-N 0 0 321.465 3.008 20 10 DGCDRN CC(C)[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC000776254680 623402467 /nfs/dbraw/zinc/40/24/67/623402467.db2.gz KIPMYBUXMAKXIP-GXTWGEPZSA-N 0 0 301.789 3.478 20 10 DGCDRN C[C@H](NC(=O)c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000776269076 623404098 /nfs/dbraw/zinc/40/40/98/623404098.db2.gz IPRIKIXJBJGRLU-AWEZNQCLSA-N 0 0 311.429 3.310 20 10 DGCDRN COc1ccc(Cl)cc1COC(=O)c1cccc(O)c1O ZINC000776278617 623406177 /nfs/dbraw/zinc/40/61/77/623406177.db2.gz BOCMXDSLTMBKIT-UHFFFAOYSA-N 0 0 308.717 3.117 20 10 DGCDRN O=C(NCC1(c2ccccc2)CC1)N1Cc2cccc(O)c2C1 ZINC000875038681 623410522 /nfs/dbraw/zinc/41/05/22/623410522.db2.gz KPQLLNGOYQLMHW-UHFFFAOYSA-N 0 0 308.381 3.149 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@]12C[C@@H]1CCCC2 ZINC000875099858 623416535 /nfs/dbraw/zinc/41/65/35/623416535.db2.gz ZZTSFTNGQCNADW-LPHOPBHVSA-N 0 0 313.445 3.419 20 10 DGCDRN C[C@H](Cc1ccc(O)cc1)NC(=O)N[C@H](C)c1ccccc1O ZINC000875143009 623421391 /nfs/dbraw/zinc/42/13/91/623421391.db2.gz HNRPTCOJEGLQET-CHWSQXEVSA-N 0 0 314.385 3.089 20 10 DGCDRN Cc1ccc(CCNC(=O)N2Cc3cccc(O)c3C2)c(C)c1 ZINC000875155572 623422935 /nfs/dbraw/zinc/42/29/35/623422935.db2.gz YHTNQPHDVPGVTE-UHFFFAOYSA-N 0 0 310.397 3.277 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@@]23C[C@@H]2CCCC3)cc1F ZINC000875180764 623424851 /nfs/dbraw/zinc/42/48/51/623424851.db2.gz UUXZPBZAAUJDER-GUYCJALGSA-N 0 0 305.397 3.024 20 10 DGCDRN COc1ccc([C@H](C)NC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000875177362 623425124 /nfs/dbraw/zinc/42/51/24/623425124.db2.gz BLDADSDZWYPKDV-LBPRGKRZSA-N 0 0 312.369 3.187 20 10 DGCDRN CS[C@H](C)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000125320832 623428044 /nfs/dbraw/zinc/42/80/44/623428044.db2.gz PCWKGTRYGVWMOI-GFCCVEGCSA-N 0 0 305.399 3.266 20 10 DGCDRN O=C(NCCCc1cccc(F)c1)N1Cc2cccc(O)c2C1 ZINC000875264162 623432757 /nfs/dbraw/zinc/43/27/57/623432757.db2.gz WAUHYSXMJYRKFK-UHFFFAOYSA-N 0 0 314.360 3.189 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC1(C)CC(F)(F)C1 ZINC000875301298 623435103 /nfs/dbraw/zinc/43/51/03/623435103.db2.gz QNKFTABOAMWKLU-UHFFFAOYSA-N 0 0 311.376 3.048 20 10 DGCDRN CC(C)OC1CCC(NC(=O)N[C@H](C)c2ccccc2O)CC1 ZINC000875413207 623447791 /nfs/dbraw/zinc/44/77/91/623447791.db2.gz NJQNIIIGNASEBA-WLYUNCDWSA-N 0 0 320.433 3.489 20 10 DGCDRN CC[C@H](NC(=O)c1cccc(O)c1O)c1cc(F)ccc1F ZINC000776661506 623449831 /nfs/dbraw/zinc/44/98/31/623449831.db2.gz QLWAKTBYMPVHSC-ZDUSSCGKSA-N 0 0 307.296 3.257 20 10 DGCDRN CCc1cnccc1[C@H](C)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875455506 623452172 /nfs/dbraw/zinc/45/21/72/623452172.db2.gz PKHDNILJKNRFPL-LBPRGKRZSA-N 0 0 311.385 3.136 20 10 DGCDRN CSc1ccccc1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000776754088 623459950 /nfs/dbraw/zinc/45/99/50/623459950.db2.gz YILRFGOFEAIKRD-UHFFFAOYSA-N 0 0 314.454 3.333 20 10 DGCDRN Cc1ncsc1/C=C/C(=O)N1CCc2cc(F)c(F)cc21 ZINC000776784566 623463294 /nfs/dbraw/zinc/46/32/94/623463294.db2.gz PUFNYZAWUPDWJZ-NSCUHMNNSA-N 0 0 306.337 3.332 20 10 DGCDRN Cc1ncsc1/C=C\C(=O)N1C[C@H](C)Oc2ccccc21 ZINC000776839128 623469921 /nfs/dbraw/zinc/46/99/21/623469921.db2.gz OVWVLZOCZJWBDO-TVRMLOFPSA-N 0 0 300.383 3.279 20 10 DGCDRN Cc1ncsc1/C=C/C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776931487 623476951 /nfs/dbraw/zinc/47/69/51/623476951.db2.gz SBWDLUCQONCPCO-BZYZDCJZSA-N 0 0 315.442 3.408 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1CCc2ccc(O)cc21)c1ccccc1O ZINC000875744254 623487072 /nfs/dbraw/zinc/48/70/72/623487072.db2.gz YXMNXRJQFKXCFC-MEDUHNTESA-N 0 0 312.369 3.146 20 10 DGCDRN O=C(NCc1ccccc1O)c1coc(C2CCCCC2)n1 ZINC000777274707 623509879 /nfs/dbraw/zinc/50/98/79/623509879.db2.gz KXWJNCIBEXNTCG-UHFFFAOYSA-N 0 0 300.358 3.358 20 10 DGCDRN C[C@@H](NC(=O)NC[C@@H]1CCC(C)(C)O1)c1ccc(N(C)C)cc1 ZINC000777637169 623550498 /nfs/dbraw/zinc/55/04/98/623550498.db2.gz HAAFAIJASFRGCM-CJNGLKHVSA-N 0 0 319.449 3.070 20 10 DGCDRN C[C@@H](NC(=O)NOC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000777638034 623551298 /nfs/dbraw/zinc/55/12/98/623551298.db2.gz QYLADNQPTYNQPQ-CYBMUJFWSA-N 0 0 305.422 3.377 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)NOC1CCCCC1 ZINC000777723036 623561685 /nfs/dbraw/zinc/56/16/85/623561685.db2.gz SYUWICUMNHERBL-UHFFFAOYSA-N 0 0 318.417 3.335 20 10 DGCDRN Cc1cc(C(=O)N(C)CC[C@@H](C)O)c(C)n1-c1ccccc1C ZINC000125838409 623566122 /nfs/dbraw/zinc/56/61/22/623566122.db2.gz XCQJLFBBSZPFTQ-OAHLLOKOSA-N 0 0 314.429 3.245 20 10 DGCDRN COC(=O)/C=C/c1ccc(N2CC3(C2)CCCC3)c([N+](=O)[O-])c1 ZINC000777802472 623569775 /nfs/dbraw/zinc/56/97/75/623569775.db2.gz AGBLDSIDVVIWSO-FNORWQNLSA-N 0 0 316.357 3.161 20 10 DGCDRN Nc1ccc(CCNC(=O)C2CC(c3ccc(F)cc3)C2)cc1 ZINC000876528503 623634531 /nfs/dbraw/zinc/63/45/31/623634531.db2.gz RUPPEQJBEQHXKW-UHFFFAOYSA-N 0 0 312.388 3.260 20 10 DGCDRN CCCCN1C(=O)C2(CCCCC2)N[C@H]1c1cccc(F)c1O ZINC000778525205 623663503 /nfs/dbraw/zinc/66/35/03/623663503.db2.gz JZTNCVBPUYWDDR-MRXNPFEDSA-N 0 0 320.408 3.465 20 10 DGCDRN CCc1nc([C@H]2CCCCN2Cc2ccc(C)cc2O)no1 ZINC000876628780 623663965 /nfs/dbraw/zinc/66/39/65/623663965.db2.gz VIEWRTCXAFYUOS-CQSZACIVSA-N 0 0 301.390 3.373 20 10 DGCDRN C[N@H+](Cc1ccc(F)c(F)c1[O-])[C@H](CCO)c1ccccc1 ZINC000876739441 623693415 /nfs/dbraw/zinc/69/34/15/623693415.db2.gz HOEXELJOHHNQRT-OAHLLOKOSA-N 0 0 307.340 3.226 20 10 DGCDRN C[C@H](C(=O)NCc1ccc(O)c(O)c1)c1cccc(Cl)c1 ZINC000778919990 623710974 /nfs/dbraw/zinc/71/09/74/623710974.db2.gz SFLABTHULARKFL-JTQLQIEISA-N 0 0 305.761 3.171 20 10 DGCDRN Cc1ccc(-c2cc(C(=O)NCc3ccccc3O)[nH]n2)c(C)c1 ZINC000779000762 623719445 /nfs/dbraw/zinc/71/94/45/623719445.db2.gz DQNCBEAJZSSUED-UHFFFAOYSA-N 0 0 321.380 3.329 20 10 DGCDRN Cc1ccc(CNc2ccc(N3C(=O)CCCC3=O)cc2)c(O)c1 ZINC000876847139 623726935 /nfs/dbraw/zinc/72/69/35/623726935.db2.gz WJCVMITWMGOHST-UHFFFAOYSA-N 0 0 324.380 3.356 20 10 DGCDRN Cc1ccc(CNc2cccc(CN3CCOCC3)c2)c(O)c1 ZINC000876851509 623727996 /nfs/dbraw/zinc/72/79/96/623727996.db2.gz KNWWCOIIRNIXLO-UHFFFAOYSA-N 0 0 312.413 3.145 20 10 DGCDRN Cc1[nH]c2ccc(CNC(=O)c3cccc(O)c3O)cc2c1C ZINC000790571183 625671656 /nfs/dbraw/zinc/67/16/56/625671656.db2.gz ITOXXOMJERTRLH-UHFFFAOYSA-N 0 0 310.353 3.126 20 10 DGCDRN Oc1ccc(F)cc1CN1CCc2c(ncn2-c2ccccc2)C1 ZINC000779143496 623734399 /nfs/dbraw/zinc/73/43/99/623734399.db2.gz JQWDKRRZWSUGGH-UHFFFAOYSA-N 0 0 323.371 3.275 20 10 DGCDRN CC[C@@]1(CO)CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000779210995 623742583 /nfs/dbraw/zinc/74/25/83/623742583.db2.gz XVQLHJQYMUQLNY-OAHLLOKOSA-N 0 0 301.789 3.169 20 10 DGCDRN C[C@@H]1CCN(C(=O)NCCCSc2nccs2)C[C@H]1F ZINC000779363495 623763274 /nfs/dbraw/zinc/76/32/74/623763274.db2.gz FVLMQYWLFXSTHW-GHMZBOCLSA-N 0 0 317.455 3.015 20 10 DGCDRN Cn1cc(/C=C/C(=O)N(Cc2ccccc2)c2ccncc2)cn1 ZINC000779363446 623763565 /nfs/dbraw/zinc/76/35/65/623763565.db2.gz IXLUHHHFLLBKTQ-BQYQJAHWSA-N 0 0 318.380 3.062 20 10 DGCDRN C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877016800 623766713 /nfs/dbraw/zinc/76/67/13/623766713.db2.gz HSPIOBUBHMVLPM-NSHDSACASA-N 0 0 307.340 3.487 20 10 DGCDRN COc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877031798 623770092 /nfs/dbraw/zinc/77/00/92/623770092.db2.gz BKFWUOBJZVJLAU-ZDUSSCGKSA-N 0 0 321.323 3.292 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@@H](O)c1ccc(F)cc1 ZINC000877034477 623771445 /nfs/dbraw/zinc/77/14/45/623771445.db2.gz IKQRLCPJCPTYHU-RFAUZJTJSA-N 0 0 311.303 3.021 20 10 DGCDRN C[C@H]1c2ccsc2CCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779489727 623774112 /nfs/dbraw/zinc/77/41/12/623774112.db2.gz SRZYVSZFMIJSGP-MZBZXASESA-N 0 0 315.394 3.318 20 10 DGCDRN Cc1cc(N(C)C)ccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779480569 623774221 /nfs/dbraw/zinc/77/42/21/623774221.db2.gz XPROEFAJMWPUNO-UITAMQMPSA-N 0 0 312.369 3.124 20 10 DGCDRN O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000779488681 623774266 /nfs/dbraw/zinc/77/42/66/623774266.db2.gz HSCWSGCYZDTPCD-WAPJZHGLSA-N 0 0 321.336 3.140 20 10 DGCDRN CN(Cc1ccc(Cl)s1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779489481 623774300 /nfs/dbraw/zinc/77/43/00/623774300.db2.gz PKBVMQTYSTYKFJ-XVNBXDOJSA-N 0 0 323.801 3.485 20 10 DGCDRN CCOc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1C ZINC000779514269 623776524 /nfs/dbraw/zinc/77/65/24/623776524.db2.gz NEFRBIVCXXURRX-RMKNXTFCSA-N 0 0 313.353 3.457 20 10 DGCDRN C[C@@H]1CCCC[C@@H]1CCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779519419 623776789 /nfs/dbraw/zinc/77/67/89/623776789.db2.gz DCLNWKUXFWMKBP-ICGPHACGSA-N 0 0 303.402 3.444 20 10 DGCDRN Cc1cccc(CC2CN(C(=O)/C=C\c3ccc(O)c(O)c3)C2)c1 ZINC000779530207 623777252 /nfs/dbraw/zinc/77/72/52/623777252.db2.gz WJWRUYCTPNBISG-VURMDHGXSA-N 0 0 323.392 3.121 20 10 DGCDRN CC(C)CC1(CNC(=O)/C=C\c2ccc(O)c(O)c2)CCC1 ZINC000779529277 623777378 /nfs/dbraw/zinc/77/73/78/623777378.db2.gz SSDWPOACKZPEBN-ALCCZGGFSA-N 0 0 303.402 3.444 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC1(Cc2ccccc2)CCC1 ZINC000779532349 623777605 /nfs/dbraw/zinc/77/76/05/623777605.db2.gz NLNNBASZVUSCKJ-CSKARUKUSA-N 0 0 323.392 3.393 20 10 DGCDRN Cc1ccc(CC[C@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)o1 ZINC000779523448 623777611 /nfs/dbraw/zinc/77/76/11/623777611.db2.gz BZJIUMWYNHOWEP-JXPAYYINSA-N 0 0 315.369 3.150 20 10 DGCDRN CN(C(=O)CCC(=O)c1ccc2c(c1)CCC2)c1ccc(N)cc1 ZINC000877080925 623786668 /nfs/dbraw/zinc/78/66/68/623786668.db2.gz RLJJWKDQZMKCJI-UHFFFAOYSA-N 0 0 322.408 3.383 20 10 DGCDRN C[C@@H](C[C@H](O)c1cccs1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877127767 623797798 /nfs/dbraw/zinc/79/77/98/623797798.db2.gz ATRYZKNHHGHWQO-CABZTGNLSA-N 0 0 313.369 3.334 20 10 DGCDRN COCCc1ncc(CN(C)c2ccc(OC)c(F)c2)s1 ZINC000877181084 623818926 /nfs/dbraw/zinc/81/89/26/623818926.db2.gz HMBYUCMNXGLQNI-UHFFFAOYSA-N 0 0 310.394 3.116 20 10 DGCDRN CCOC(=O)c1cc(CN(C)c2ccc(OC)c(Cl)c2)on1 ZINC000877182449 623820182 /nfs/dbraw/zinc/82/01/82/623820182.db2.gz YTNOCUGFZGHVMN-UHFFFAOYSA-N 0 0 324.764 3.150 20 10 DGCDRN Cc1ccc(CNc2ccc(N3CCOCC3)c(C)c2)c(O)c1 ZINC000877195875 623824757 /nfs/dbraw/zinc/82/47/57/623824757.db2.gz PLFXNQCTKXCTBZ-UHFFFAOYSA-N 0 0 312.413 3.458 20 10 DGCDRN Nc1ccc(CC(=O)N2CCC[C@@](F)(c3ccccc3)C2)cc1 ZINC000877234620 623832750 /nfs/dbraw/zinc/83/27/50/623832750.db2.gz XWJQYVNWDPLVLP-IBGZPJMESA-N 0 0 312.388 3.299 20 10 DGCDRN Cc1ccnc(C2CC[NH+](Cc3ccc(F)c(F)c3[O-])CC2)n1 ZINC000877331844 623854780 /nfs/dbraw/zinc/85/47/80/623854780.db2.gz VNACOSJENFLJJQ-UHFFFAOYSA-N 0 0 319.355 3.148 20 10 DGCDRN C[C@H](NC(=O)Cc1ccc(N)cc1)c1ccc(C(F)(F)F)nc1 ZINC000877430926 623877578 /nfs/dbraw/zinc/87/75/78/623877578.db2.gz SRAOJPLUKOSWIG-JTQLQIEISA-N 0 0 323.318 3.103 20 10 DGCDRN Cc1ccc(NCc2c(C)cccc2O)cc1N1CCNC1=O ZINC000877482870 623904194 /nfs/dbraw/zinc/90/41/94/623904194.db2.gz JDAGBGBFTQOURX-UHFFFAOYSA-N 0 0 311.385 3.151 20 10 DGCDRN Cc1cccc(O)c1CNc1ccc2c(c1)N(C(N)=O)CCC2 ZINC000877484096 623905404 /nfs/dbraw/zinc/90/54/04/623905404.db2.gz XOIBEOIHBHWAJI-UHFFFAOYSA-N 0 0 311.385 3.144 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCC=CO2)cc1 ZINC000780310430 623909749 /nfs/dbraw/zinc/90/97/49/623909749.db2.gz HOVYHURQGIXFAO-QGZVFWFLSA-N 0 0 317.433 3.025 20 10 DGCDRN OC1CCN(c2ccc(CN3CCCC[C@@H]3C(F)F)cc2)CC1 ZINC000877500233 623913221 /nfs/dbraw/zinc/91/32/21/623913221.db2.gz PPNUVFHQELLTRD-QGZVFWFLSA-N 0 0 324.415 3.267 20 10 DGCDRN COc1ccc(O)cc1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000780394586 623922647 /nfs/dbraw/zinc/92/26/47/623922647.db2.gz HQIIDHMYFJHRDZ-UHFFFAOYSA-N 0 0 312.369 3.253 20 10 DGCDRN COc1ccc(O)c(CNC(=O)C(F)(F)c2ccc(C)cc2)c1 ZINC000780514990 623943283 /nfs/dbraw/zinc/94/32/83/623943283.db2.gz RKVCWLNRGRHGMV-UHFFFAOYSA-N 0 0 321.323 3.117 20 10 DGCDRN COc1ccc(N(C)Cc2cc3c(cc2O)OCO3)cc1Cl ZINC000780779550 623982157 /nfs/dbraw/zinc/98/21/57/623982157.db2.gz LJLMCBWGCNGXKF-UHFFFAOYSA-N 0 0 321.760 3.419 20 10 DGCDRN CSC1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000877663578 623983314 /nfs/dbraw/zinc/98/33/14/623983314.db2.gz VFGPPMYKQTXTED-UHFFFAOYSA-N 0 0 316.810 3.281 20 10 DGCDRN Cc1cc(S(=O)(=O)Nc2ccc(O)cc2F)c(C)s1 ZINC000780838252 623989113 /nfs/dbraw/zinc/98/91/13/623989113.db2.gz SBOWGZPWFKESNU-UHFFFAOYSA-N 0 0 301.364 3.010 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCC2CC(C)(C)C2)c1 ZINC000780873613 623992859 /nfs/dbraw/zinc/99/28/59/623992859.db2.gz OUILSMILKGFQBO-LLVKDONJSA-N 0 0 306.406 3.197 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc([C@H]3C[C@@H]3C)o2)c(O)c1O ZINC000780904086 623996069 /nfs/dbraw/zinc/99/60/69/623996069.db2.gz YADITMJOZXWMPZ-GWCFXTLKSA-N 0 0 301.342 3.053 20 10 DGCDRN Oc1cccc2c1CN(Cc1ncc(Br)s1)C2 ZINC000877703103 623998154 /nfs/dbraw/zinc/99/81/54/623998154.db2.gz ROECBIUQEGFWBN-UHFFFAOYSA-N 0 0 311.204 3.127 20 10 DGCDRN CCC[C@H](NC(=O)c1ccc(C)c(O)c1O)c1ccccn1 ZINC000780930816 624000030 /nfs/dbraw/zinc/00/00/30/624000030.db2.gz RFIXNIFNWPIDIZ-AWEZNQCLSA-N 0 0 300.358 3.072 20 10 DGCDRN Cc1ccc(C(=O)NCCc2ccc(F)cc2Cl)c(O)c1O ZINC000780937603 624000613 /nfs/dbraw/zinc/00/06/13/624000613.db2.gz HAHAUUNETJBLSC-UHFFFAOYSA-N 0 0 323.751 3.171 20 10 DGCDRN Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc(O)cc2)c(O)c1O ZINC000780968794 624005813 /nfs/dbraw/zinc/00/58/13/624005813.db2.gz KIQARAJGMSJOJK-OAHLLOKOSA-N 0 0 313.353 3.089 20 10 DGCDRN Cc1ccc(C(=O)NCC2(Cc3ccccc3)CC2)c(O)c1O ZINC000780985113 624007186 /nfs/dbraw/zinc/00/71/86/624007186.db2.gz BJICRBLHIYYTIJ-UHFFFAOYSA-N 0 0 311.381 3.159 20 10 DGCDRN Cc1ccc(C2=CCN(C(=O)c3ccc(C)c(O)c3O)CC2)cn1 ZINC000781012578 624010030 /nfs/dbraw/zinc/01/00/30/624010030.db2.gz GLEWKHQTNZYBMB-UHFFFAOYSA-N 0 0 324.380 3.039 20 10 DGCDRN COc1ccccc1[C@H]1CN(Cc2cc(F)ccc2O)CCO1 ZINC000877754854 624021007 /nfs/dbraw/zinc/02/10/07/624021007.db2.gz VHOVCSPGTIMTGD-GOSISDBHSA-N 0 0 317.360 3.113 20 10 DGCDRN O=C1/C(=C\c2cncnc2)SC(=S)N1c1ccc(F)cc1 ZINC000781106417 624023498 /nfs/dbraw/zinc/02/34/98/624023498.db2.gz LLSCMQFFHPFZPY-LFYBBSHMSA-N 0 0 317.370 3.022 20 10 DGCDRN CC(C)CC(=O)N1CCC[N@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC000877774877 624032468 /nfs/dbraw/zinc/03/24/68/624032468.db2.gz PITAUBGJHVPTNR-UHFFFAOYSA-N 0 0 324.852 3.126 20 10 DGCDRN CC(C)(O)[C@@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000877796607 624037850 /nfs/dbraw/zinc/03/78/50/624037850.db2.gz KHCADOQXTAAERC-SNVBAGLBSA-N 0 0 301.789 3.168 20 10 DGCDRN COc1cc(Cl)cc(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)c1O ZINC000877807515 624040391 /nfs/dbraw/zinc/04/03/91/624040391.db2.gz WTYDTUGKJOBCJA-BPNCWPANSA-N 0 0 311.809 3.101 20 10 DGCDRN Cc1cccc2c1N[C@H](c1cc(Cl)c(F)cc1O)NC2=O ZINC000877846015 624067131 /nfs/dbraw/zinc/06/71/31/624067131.db2.gz OIOYXVYYTUTQTC-AWEZNQCLSA-N 0 0 306.724 3.347 20 10 DGCDRN CCCCCN1CC(=O)N[C@H]1c1ccc(N(CC)CC)c(F)c1 ZINC000877854361 624070456 /nfs/dbraw/zinc/07/04/56/624070456.db2.gz QCEVJQILOYTORO-GOSISDBHSA-N 0 0 321.440 3.293 20 10 DGCDRN CN(C)c1ccc([C@H]2NC(C)(C)C(=O)N2CC(C)(C)C)cc1 ZINC000877857719 624071467 /nfs/dbraw/zinc/07/14/67/624071467.db2.gz YOONNRLOQHXAAH-HNNXBMFYSA-N 0 0 303.450 3.008 20 10 DGCDRN Cc1cc(O)c([C@H]2NC(C)(C)C(=O)N2CC2CCCC2)cc1C ZINC000877857378 624071511 /nfs/dbraw/zinc/07/15/11/624071511.db2.gz QFPJOWPFFVWUCJ-KRWDZBQOSA-N 0 0 316.445 3.408 20 10 DGCDRN Cc1cc(O)c([C@H]2NC(=O)c3cc(F)c(F)cc3N2)cc1Cl ZINC000877861316 624072644 /nfs/dbraw/zinc/07/26/44/624072644.db2.gz YXBFIRSDEUYDFL-CQSZACIVSA-N 0 0 324.714 3.486 20 10 DGCDRN Cc1cc(N(C)C)ccc1[C@H]1Nc2cc(F)c(F)cc2C(=O)N1 ZINC000877859728 624072660 /nfs/dbraw/zinc/07/26/60/624072660.db2.gz IFMSWBSHDLVAAY-INIZCTEOSA-N 0 0 317.339 3.193 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@@]2(C)CCCO2)c1 ZINC000781631893 624110124 /nfs/dbraw/zinc/11/01/24/624110124.db2.gz CWWFIGJIBRQYGP-CQSZACIVSA-N 0 0 314.223 3.122 20 10 DGCDRN CCc1nn(C)cc1NCc1cc(C)cc(Br)c1O ZINC000781637326 624111727 /nfs/dbraw/zinc/11/17/27/624111727.db2.gz BRYDWNUSDMDENM-UHFFFAOYSA-N 0 0 324.222 3.371 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CCCSC2)c1 ZINC000781917764 624170438 /nfs/dbraw/zinc/17/04/38/624170438.db2.gz HCVNYFFZFZBDHN-NSHDSACASA-N 0 0 316.264 3.448 20 10 DGCDRN CCN(Cc1nc(CC2CC2)no1)c1ccc(OC)c(OC)c1 ZINC000878218332 624219610 /nfs/dbraw/zinc/21/96/10/624219610.db2.gz NVKQYKUTDMDRNL-UHFFFAOYSA-N 0 0 317.389 3.066 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC(C)(C)O1 ZINC000782368411 624244574 /nfs/dbraw/zinc/24/45/74/624244574.db2.gz FYQVXOURUFCUMZ-QGZVFWFLSA-N 0 0 318.461 3.447 20 10 DGCDRN Cc1ccc([C@@H]2COCCN2Cc2ccc(N(C)C)c(F)c2)o1 ZINC000127271274 624334153 /nfs/dbraw/zinc/33/41/53/624334153.db2.gz ILOYVHKFVBYLRX-KRWDZBQOSA-N 0 0 318.392 3.367 20 10 DGCDRN C[C@@H](NCc1cn(C)nn1)c1ccc(N2CCCCCC2)cc1 ZINC000783531735 624362605 /nfs/dbraw/zinc/36/26/05/624362605.db2.gz FDQWZTDPSAHXOU-OAHLLOKOSA-N 0 0 313.449 3.046 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)C[C@H](C)O)c(C)n1-c1ccccc1C ZINC000783628251 624376867 /nfs/dbraw/zinc/37/68/67/624376867.db2.gz APEKNOVFTJWZKR-ZFWWWQNUSA-N 0 0 314.429 3.292 20 10 DGCDRN C[C@@H]1CN(Cc2cc(Br)ccc2O)[C@@H](C)[C@@H](C)O1 ZINC000783738883 624389946 /nfs/dbraw/zinc/38/99/46/624389946.db2.gz YHKIJZVYMDOLOE-OUAUKWLOSA-N 0 0 314.223 3.152 20 10 DGCDRN CC[C@H]([NH2+][C@H](CO)CC(F)(F)F)c1cccc(Cl)c1[O-] ZINC000806149440 624410900 /nfs/dbraw/zinc/41/09/00/624410900.db2.gz SNCXOXWMWMEBDA-KWQFWETISA-N 0 0 311.731 3.400 20 10 DGCDRN Cc1cccc2c1CCN2C(=O)NCc1ccc(N(C)C)cc1 ZINC000127507840 624423050 /nfs/dbraw/zinc/42/30/50/624423050.db2.gz VUCRURWMJVMUJW-UHFFFAOYSA-N 0 0 309.413 3.333 20 10 DGCDRN CCn1nc(C)c(NC(=O)N[C@H](C)c2ccccc2O)c1C ZINC000879090594 624423589 /nfs/dbraw/zinc/42/35/89/624423589.db2.gz CWJNYJCXPIPFPZ-SNVBAGLBSA-N 0 0 302.378 3.108 20 10 DGCDRN CCOc1ccc(N(CC[C@H]2CCOC2=O)CC2CC2)cc1 ZINC000879117222 624431034 /nfs/dbraw/zinc/43/10/34/624431034.db2.gz LWJGXBMGPRHJKZ-HNNXBMFYSA-N 0 0 303.402 3.255 20 10 DGCDRN COC(=O)c1ccccc1CN(C)c1ccc(OC)c(OC)c1 ZINC000784137039 624442524 /nfs/dbraw/zinc/44/25/24/624442524.db2.gz JMOUOSBZUROFRF-UHFFFAOYSA-N 0 0 315.369 3.127 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OC[C@@H]1CCC2(CCCC2)O1 ZINC000784286756 624482514 /nfs/dbraw/zinc/48/25/14/624482514.db2.gz NCOIGHFRWZYGPO-SDQPKGBYSA-N 0 0 318.369 3.146 20 10 DGCDRN CC1(C)CCC(CC(=O)OCC(=O)c2ccc(O)c(O)c2)CC1 ZINC000784337490 624506110 /nfs/dbraw/zinc/50/61/10/624506110.db2.gz WCWDEUCSKHWYPU-UHFFFAOYSA-N 0 0 320.385 3.430 20 10 DGCDRN CC[C@H](C)CCCCC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784675395 624569492 /nfs/dbraw/zinc/56/94/92/624569492.db2.gz IRCUJRIPFAOUKQ-LBPRGKRZSA-N 0 0 308.374 3.430 20 10 DGCDRN CC(C)CO[C@H](C)c1noc(CN[C@H](C)c2ccccc2O)n1 ZINC000879648200 624621347 /nfs/dbraw/zinc/62/13/47/624621347.db2.gz DPKAHNZQRGQHFZ-CHWSQXEVSA-N 0 0 319.405 3.360 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CC(C)(C)OC)cc1F ZINC000785078553 624629909 /nfs/dbraw/zinc/62/99/09/624629909.db2.gz SKHPMGCAFQDFGZ-UHFFFAOYSA-N 0 0 310.413 3.103 20 10 DGCDRN CC(C)(C)OC(=O)CCCCOC(=O)C1=CC(=O)CS1 ZINC000785313536 624651507 /nfs/dbraw/zinc/65/15/07/624651507.db2.gz AIAPYJQIAFIFMO-UHFFFAOYSA-N 0 0 300.376 3.123 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)C2(COC)CCC2)cc1 ZINC000785756239 624725107 /nfs/dbraw/zinc/72/51/07/624725107.db2.gz UOWHLVZSCPLWLT-UHFFFAOYSA-N 0 0 318.461 3.308 20 10 DGCDRN C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000785990116 624774800 /nfs/dbraw/zinc/77/48/00/624774800.db2.gz ZAUGHONHFSDMJY-RULNRJAQSA-N 0 0 301.789 3.166 20 10 DGCDRN C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000785990110 624775170 /nfs/dbraw/zinc/77/51/70/624775170.db2.gz ZAUGHONHFSDMJY-GPCCPHFNSA-N 0 0 301.789 3.166 20 10 DGCDRN C[C@@H](NC(=O)COc1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000786863571 624959361 /nfs/dbraw/zinc/95/93/61/624959361.db2.gz INXRRFXGKLPAEN-CYBMUJFWSA-N 0 0 316.376 3.148 20 10 DGCDRN COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](C(C)C)C(F)(F)F)c1 ZINC000786972596 624969474 /nfs/dbraw/zinc/96/94/74/624969474.db2.gz DYYCYCPOUUJKSE-RNCFNFMXSA-N 0 0 319.323 3.416 20 10 DGCDRN CC1(C)CC[C@@H](CC(=O)NCc2cc(Cl)ccc2O)OC1 ZINC000880539864 624974537 /nfs/dbraw/zinc/97/45/37/624974537.db2.gz KDPDJWGCNGNPEQ-ZDUSSCGKSA-N 0 0 311.809 3.257 20 10 DGCDRN Cc1cc(C(=O)COc2cnn(C)c2)c(C)n1-c1ccccc1C ZINC000788506773 625201799 /nfs/dbraw/zinc/20/17/99/625201799.db2.gz XMJIQPDQPDVAQS-UHFFFAOYSA-N 0 0 323.396 3.398 20 10 DGCDRN CCN(C(=O)/C=C/c1cnc(OC)nc1)c1ccc2[nH]ccc2c1 ZINC000788552042 625215406 /nfs/dbraw/zinc/21/54/06/625215406.db2.gz XEIHVYJNVOHBKQ-QPJJXVBHSA-N 0 0 322.368 3.033 20 10 DGCDRN C[C@@H](O)CCC[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000788604264 625225808 /nfs/dbraw/zinc/22/58/08/625225808.db2.gz JGIRTHKKNHAORR-BDAKNGLRSA-N 0 0 320.202 3.105 20 10 DGCDRN C[C@@H](Cn1cccn1)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788646179 625235182 /nfs/dbraw/zinc/23/51/82/625235182.db2.gz BKDRZJFGDLXNQG-QWRGUYRKSA-N 0 0 313.323 3.347 20 10 DGCDRN Cc1cc(C)c([C@H](C)Nc2ccc(N(C)CCO)cn2)c(O)c1 ZINC000788704159 625248078 /nfs/dbraw/zinc/24/80/78/625248078.db2.gz NBEFUTKTFKEZAV-AWEZNQCLSA-N 0 0 315.417 3.006 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1nc(Cl)cs1 ZINC000788752662 625258522 /nfs/dbraw/zinc/25/85/22/625258522.db2.gz WKVPKKSNBYCBOK-UHFFFAOYSA-N 0 0 309.822 3.101 20 10 DGCDRN C[C@@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)N1CCC[C@@H](C)C1 ZINC000790948008 625720166 /nfs/dbraw/zinc/72/01/66/625720166.db2.gz CXXROVPITFBOCN-NEPJUHHUSA-N 0 0 314.832 3.395 20 10 DGCDRN COc1nc(C)cc(C)c1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790955101 625721797 /nfs/dbraw/zinc/72/17/97/625721797.db2.gz JNIGCEWILZHUCW-UHFFFAOYSA-N 0 0 324.783 3.495 20 10 DGCDRN C[C@@H](CN1CCC[C@@H](C)C1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790956131 625722188 /nfs/dbraw/zinc/72/21/88/625722188.db2.gz OHDKYFPGSCJGMT-NEPJUHHUSA-N 0 0 314.832 3.395 20 10 DGCDRN C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790966411 625724453 /nfs/dbraw/zinc/72/44/53/625724453.db2.gz OJGXXLPPQSDWMW-NHYWBVRUSA-N 0 0 323.795 3.439 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@H]2CCC3(CCCCC3)O2)c1 ZINC000790995339 625733133 /nfs/dbraw/zinc/73/31/33/625733133.db2.gz NQBOYHQXZUPFNY-OAHLLOKOSA-N 0 0 320.389 3.272 20 10 DGCDRN CC[C@@]1([NH2+]Cc2cc(C)cc(Br)c2[O-])CCOC1 ZINC000791005714 625736297 /nfs/dbraw/zinc/73/62/97/625736297.db2.gz XGMDGHRXNTWKJM-CQSZACIVSA-N 0 0 314.223 3.122 20 10 DGCDRN CC1(C)CN(C(=O)c2cccc(O)c2O)CC[C@H]1C(F)(F)F ZINC000791125549 625752648 /nfs/dbraw/zinc/75/26/48/625752648.db2.gz GIZTXFVVDTWLGL-LLVKDONJSA-N 0 0 317.307 3.148 20 10 DGCDRN Cc1cncc(/C=C/C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000129833361 625786125 /nfs/dbraw/zinc/78/61/25/625786125.db2.gz KIQJMQLRCYTIME-VMPITWQZSA-N 0 0 309.413 3.094 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1COc2ccccc2C1 ZINC000882880609 625843170 /nfs/dbraw/zinc/84/31/70/625843170.db2.gz AQIOHUOAUANYTD-NSHDSACASA-N 0 0 305.324 3.011 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccc2c(c1)OCO2 ZINC000882885189 625845419 /nfs/dbraw/zinc/84/54/19/625845419.db2.gz NFNOQJSDJXHPIM-VIFPVBQESA-N 0 0 307.296 3.250 20 10 DGCDRN Oc1c(F)cc(F)cc1CNc1ccc(N2CCOCC2)cc1 ZINC000882906345 625853235 /nfs/dbraw/zinc/85/32/35/625853235.db2.gz AMXOHEZRQRTHBM-UHFFFAOYSA-N 0 0 320.339 3.119 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1coc(-c2ccccc2)n1 ZINC000130525868 625866972 /nfs/dbraw/zinc/86/69/72/625866972.db2.gz OGELPMFOKDYUEQ-UHFFFAOYSA-N 0 0 308.337 3.319 20 10 DGCDRN CN(C)c1ccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])cc1F ZINC000882943300 625868688 /nfs/dbraw/zinc/86/86/88/625868688.db2.gz MHCMZBJEJDHELA-UHFFFAOYSA-N 0 0 310.319 3.165 20 10 DGCDRN COc1ccc2c(c1)CCN2Cc1ccc(N(C)C(C)C)nc1 ZINC000792163465 625917365 /nfs/dbraw/zinc/91/73/65/625917365.db2.gz XAERTSDVGAXYGS-UHFFFAOYSA-N 0 0 311.429 3.498 20 10 DGCDRN C[C@H](C[C@H](O)c1ccccc1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883079489 625919004 /nfs/dbraw/zinc/91/90/04/625919004.db2.gz VTHGHLNFPXBRJP-BZNIZROVSA-N 0 0 307.340 3.272 20 10 DGCDRN COCC1(C)CC[NH+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792173948 625919820 /nfs/dbraw/zinc/91/98/20/625919820.db2.gz MLRMDIKNPXESEE-UHFFFAOYSA-N 0 0 301.789 3.433 20 10 DGCDRN CCC(CC)(C[NH2+]Cc1c([O-])ccc(Cl)c1F)C(=O)OC ZINC000792174679 625920851 /nfs/dbraw/zinc/92/08/51/625920851.db2.gz YZFMMBULVWGATP-UHFFFAOYSA-N 0 0 317.788 3.254 20 10 DGCDRN CCOc1ccc(N(CC)C[C@@H]2CC3(CCC3)C(=O)O2)cc1 ZINC000792247528 625931413 /nfs/dbraw/zinc/93/14/13/625931413.db2.gz ODOOHVHQPJFJFR-INIZCTEOSA-N 0 0 303.402 3.397 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000883136084 625939997 /nfs/dbraw/zinc/93/99/97/625939997.db2.gz ULTGOXJRTQYQMS-ZBFHGGJFSA-N 0 0 320.339 3.075 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000883136957 625941049 /nfs/dbraw/zinc/94/10/49/625941049.db2.gz SQTJPEBNDMZKOP-CZUORRHYSA-N 0 0 320.339 3.075 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@H](CF)C1 ZINC000883140333 625941088 /nfs/dbraw/zinc/94/10/88/625941088.db2.gz QJAAJMXNMOVFPQ-MRXNPFEDSA-N 0 0 319.424 3.178 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000883177746 625956585 /nfs/dbraw/zinc/95/65/85/625956585.db2.gz HTGQWDFZCKOTAZ-PEGIJTEDSA-N 0 0 300.171 3.182 20 10 DGCDRN COc1cccc([C@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])OC)c1 ZINC000883184655 625959156 /nfs/dbraw/zinc/95/91/56/625959156.db2.gz BNLOWNGTAGFKBS-INIZCTEOSA-N 0 0 323.339 3.156 20 10 DGCDRN COc1ccc([C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C2CC2)cn1 ZINC000883192101 625964476 /nfs/dbraw/zinc/96/44/76/625964476.db2.gz QUAHFTRSAZZISG-INIZCTEOSA-N 0 0 320.339 3.315 20 10 DGCDRN CC(C)(C)OC(=O)NCc1cc(Br)ccc1O ZINC000796190822 626028536 /nfs/dbraw/zinc/02/85/36/626028536.db2.gz KZAOAUXJWOYGHP-UHFFFAOYSA-N 0 0 302.168 3.179 20 10 DGCDRN CC[C@H]1CCCC[C@@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000796318283 626037875 /nfs/dbraw/zinc/03/78/75/626037875.db2.gz AHHXCGOWOHJBJS-AAEUAGOBSA-N 0 0 306.358 3.040 20 10 DGCDRN O=C(NCC(F)(F)F)c1ccc(NCc2ccccc2O)cc1 ZINC000796366912 626042804 /nfs/dbraw/zinc/04/28/04/626042804.db2.gz NJSXGHXOPRWBPG-UHFFFAOYSA-N 0 0 324.302 3.296 20 10 DGCDRN CCC[C@@]1([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCOC1 ZINC000796482460 626055270 /nfs/dbraw/zinc/05/52/70/626055270.db2.gz MVJZHHUYJWYUOG-CQSZACIVSA-N 0 0 314.769 3.003 20 10 DGCDRN COc1ccc(N(CCC(C)C)CC(=O)NCC2CC2)cc1 ZINC000796502332 626056530 /nfs/dbraw/zinc/05/65/30/626056530.db2.gz CKZQXSKFYBZKKF-UHFFFAOYSA-N 0 0 304.434 3.074 20 10 DGCDRN COc1ccc(N(CCC(C)C)C[C@@H](O)C(F)(F)F)cc1 ZINC000796502096 626056674 /nfs/dbraw/zinc/05/66/74/626056674.db2.gz AXXKRHPEWCIQEG-CQSZACIVSA-N 0 0 305.340 3.471 20 10 DGCDRN COc1ccc(N(CCC(C)C)CCn2ccccc2=O)cc1 ZINC000796503698 626056727 /nfs/dbraw/zinc/05/67/27/626056727.db2.gz IBWZIDWIVPJHTN-UHFFFAOYSA-N 0 0 314.429 3.410 20 10 DGCDRN COc1ccc(CNC(=O)NC[C@@H]2CCC[C@@H](C)[C@H]2C)c(O)c1 ZINC000796629708 626067384 /nfs/dbraw/zinc/06/73/84/626067384.db2.gz IUBKJIYPCPSNPU-MCIONIFRSA-N 0 0 320.433 3.272 20 10 DGCDRN COc1ccc(CNC(=O)NC[C@@H]2CCC[C@@H](C)[C@@H]2C)c(O)c1 ZINC000796629712 626067453 /nfs/dbraw/zinc/06/74/53/626067453.db2.gz IUBKJIYPCPSNPU-RDBSUJKOSA-N 0 0 320.433 3.272 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1[O-] ZINC000796735949 626077850 /nfs/dbraw/zinc/07/78/50/626077850.db2.gz BCHONCGTRYXNIP-YPMHNXCESA-N 0 0 320.330 3.209 20 10 DGCDRN CC[C@@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1ccc(F)cc1[O-] ZINC000796790818 626083355 /nfs/dbraw/zinc/08/33/55/626083355.db2.gz WABREGQLBSQYHV-GDBMZVCRSA-N 0 0 312.454 3.009 20 10 DGCDRN CC[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1ccc(F)cc1[O-] ZINC000796789657 626083462 /nfs/dbraw/zinc/08/34/62/626083462.db2.gz OULDPADCDPLELM-MRXNPFEDSA-N 0 0 322.424 3.363 20 10 DGCDRN CC[C@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1[O-] ZINC000796791791 626083580 /nfs/dbraw/zinc/08/35/80/626083580.db2.gz CNCOKMSXDRZETD-AWEZNQCLSA-N 0 0 324.396 3.191 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1ccc(F)cc1[O-] ZINC000797131399 626116831 /nfs/dbraw/zinc/11/68/31/626116831.db2.gz GBRRZZIMBCFZDQ-VERVWZFWSA-N 0 0 321.417 3.261 20 10 DGCDRN COc1cccc(C2(C(=O)N(C)Cc3ccccc3O)CC2)c1 ZINC000797192163 626124491 /nfs/dbraw/zinc/12/44/91/626124491.db2.gz YSFHDRVAPGTYIU-UHFFFAOYSA-N 0 0 311.381 3.091 20 10 DGCDRN CC1=C[C@H](C)CN(C(=O)NCCCSc2nccs2)C1 ZINC000797475329 626145922 /nfs/dbraw/zinc/14/59/22/626145922.db2.gz ATUULIMSFSZKGD-NSHDSACASA-N 0 0 311.476 3.233 20 10 DGCDRN Oc1ccc(F)cc1CNCc1c(F)cc(F)c(F)c1F ZINC000797604038 626159189 /nfs/dbraw/zinc/15/91/89/626159189.db2.gz FHMLBVZZCMQZEB-UHFFFAOYSA-N 0 0 303.230 3.378 20 10 DGCDRN COc1ccc(CNC(=O)Nc2c(C)cccc2C)c(O)c1 ZINC000797607963 626160044 /nfs/dbraw/zinc/16/00/44/626160044.db2.gz VVSQFIFDFGNIHW-UHFFFAOYSA-N 0 0 300.358 3.339 20 10 DGCDRN CCc1nc(NC(=O)NCc2ccc(OC)cc2O)sc1C ZINC000797631582 626160975 /nfs/dbraw/zinc/16/09/75/626160975.db2.gz YVRAPWKXGJIGOX-UHFFFAOYSA-N 0 0 321.402 3.050 20 10 DGCDRN COc1ccc2c(c1)CCCN2CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000797726048 626166271 /nfs/dbraw/zinc/16/62/71/626166271.db2.gz YXBXWVYDEBVFBS-GJZGRUSLSA-N 0 0 316.445 3.237 20 10 DGCDRN C[C@@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])C[C@H](C)O ZINC000798184622 626200821 /nfs/dbraw/zinc/20/08/21/626200821.db2.gz ZKJSHMNAELDDAY-OUAUKWLOSA-N 0 0 305.340 3.469 20 10 DGCDRN C[C@@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])C[C@H](C)O ZINC000798184623 626200950 /nfs/dbraw/zinc/20/09/50/626200950.db2.gz ZKJSHMNAELDDAY-VWYCJHECSA-N 0 0 305.340 3.469 20 10 DGCDRN C[C@@H]1CCC[C@@H]1CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000798393728 626215134 /nfs/dbraw/zinc/21/51/34/626215134.db2.gz YEVYUYRIRWFJRI-TZMCWYRMSA-N 0 0 307.413 3.127 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CCC[C@H]1C ZINC000798416747 626216961 /nfs/dbraw/zinc/21/69/61/626216961.db2.gz PTJUFQWUQSJKSH-UKRRQHHQSA-N 0 0 303.450 3.296 20 10 DGCDRN Fc1cc(-c2nc(-c3ccncn3)no2)ccc1-n1cccc1 ZINC000799188482 626279151 /nfs/dbraw/zinc/27/91/51/626279151.db2.gz UBKOUGOZTLZRAZ-UHFFFAOYSA-N 0 0 307.288 3.123 20 10 DGCDRN CN(CCCOCc1ccccc1)C(=O)C1=CC(=O)CS1 ZINC000799200226 626281420 /nfs/dbraw/zinc/28/14/20/626281420.db2.gz DEUHQWXMSMOGCP-UHFFFAOYSA-N 0 0 305.399 3.133 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCc2ccc3[nH]ccc3c2)c1 ZINC000799348896 626293944 /nfs/dbraw/zinc/29/39/44/626293944.db2.gz WNJNMGHWAYHMNV-UHFFFAOYSA-N 0 0 311.341 3.114 20 10 DGCDRN C[C@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000799732132 626325762 /nfs/dbraw/zinc/32/57/62/626325762.db2.gz VKAAVDOJNYLGSX-WFASDCNBSA-N 0 0 321.367 3.315 20 10 DGCDRN Cn1c(=O)[nH]c2ccc(NCc3cccc(Cl)c3O)cc21 ZINC000799740075 626327093 /nfs/dbraw/zinc/32/70/93/626327093.db2.gz IMRAVAGIRYSBRV-UHFFFAOYSA-N 0 0 303.749 3.250 20 10 DGCDRN C[C@@H](NC(=O)COc1ccsc1)c1ccc(N(C)C)cc1 ZINC000799989382 626340916 /nfs/dbraw/zinc/34/09/16/626340916.db2.gz NNHGDYRKOAJNQW-GFCCVEGCSA-N 0 0 304.415 3.070 20 10 DGCDRN CCOc1ccc([C@@H]2NC(C)(C)C(=O)N2CC(C)(C)C)c(O)c1 ZINC000840827213 626354097 /nfs/dbraw/zinc/35/40/97/626354097.db2.gz CONMSWXOHFYXTC-OAHLLOKOSA-N 0 0 320.433 3.046 20 10 DGCDRN C[C@H]1C[C@H](NCc2ncnn2C(C)(C)C)c2c1c(F)ccc2O ZINC000800500071 626364674 /nfs/dbraw/zinc/36/46/74/626364674.db2.gz PPHKPLPTQWVXOE-JQWIXIFHSA-N 0 0 318.396 3.216 20 10 DGCDRN Cc1cc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)no1 ZINC000800502363 626365395 /nfs/dbraw/zinc/36/53/95/626365395.db2.gz AQKNIYYCGVNEIH-LSDHHAIUSA-N 0 0 315.417 3.231 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CC[C@H]1CCCO1 ZINC000839914808 626370116 /nfs/dbraw/zinc/37/01/16/626370116.db2.gz BWFSJILERMIOLJ-CRAIPNDOSA-N 0 0 318.461 3.067 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C[C@@H]1C=CCC1 ZINC000839915824 626370550 /nfs/dbraw/zinc/37/05/50/626370550.db2.gz LFORZSYGGGOHEZ-HZPDHXFCSA-N 0 0 300.446 3.465 20 10 DGCDRN Cc1occc1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839917044 626370580 /nfs/dbraw/zinc/37/05/80/626370580.db2.gz YHLKQECZKJQDDM-ZDUSSCGKSA-N 0 0 300.402 3.323 20 10 DGCDRN Cc1ncc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)s1 ZINC000839919120 626372940 /nfs/dbraw/zinc/37/29/40/626372940.db2.gz PPVJPEBCHFCLDQ-GFCCVEGCSA-N 0 0 317.458 3.187 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(C)(C)C(F)F ZINC000839920820 626373551 /nfs/dbraw/zinc/37/35/51/626373551.db2.gz FKCDNYKJDKTLPJ-LBPRGKRZSA-N 0 0 312.404 3.400 20 10 DGCDRN COC1(CC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CCC1 ZINC000839920660 626373604 /nfs/dbraw/zinc/37/36/04/626373604.db2.gz CODBTLBDWWOZRF-OAHLLOKOSA-N 0 0 318.461 3.067 20 10 DGCDRN CSC1(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CCC1 ZINC000839921322 626374161 /nfs/dbraw/zinc/37/41/61/626374161.db2.gz JIEZPNRRRLJGTQ-AWEZNQCLSA-N 0 0 320.502 3.394 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)nc1 ZINC000839920849 626375939 /nfs/dbraw/zinc/37/59/39/626375939.db2.gz VCHAZGWFMBPPGF-HNNXBMFYSA-N 0 0 311.429 3.125 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000800852438 626379267 /nfs/dbraw/zinc/37/92/67/626379267.db2.gz JWSITUFNUKOLIZ-UHFFFAOYSA-N 0 0 300.362 3.164 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)/C=C\c1ccc[nH]1 ZINC000839922897 626382903 /nfs/dbraw/zinc/38/29/03/626382903.db2.gz ZZGUHMLYIJTTAG-WWRUEGTHSA-N 0 0 311.429 3.150 20 10 DGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1C[C@@H]1C(F)F ZINC000801141644 626395527 /nfs/dbraw/zinc/39/55/27/626395527.db2.gz OVLDXFYFAREOHU-GJZGRUSLSA-N 0 0 308.372 3.194 20 10 DGCDRN CCc1csc(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000801200371 626397070 /nfs/dbraw/zinc/39/70/70/626397070.db2.gz KTTROOQYNZLEHK-GFCCVEGCSA-N 0 0 317.458 3.191 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cccc2nccn21 ZINC000801549460 626409343 /nfs/dbraw/zinc/40/93/43/626409343.db2.gz OXSYVOGULJUTCE-UHFFFAOYSA-N 0 0 323.396 3.482 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1coc(OCC)n1 ZINC000801549907 626409553 /nfs/dbraw/zinc/40/95/53/626409553.db2.gz GNBRMBDIRNBVJB-UHFFFAOYSA-N 0 0 318.373 3.221 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cc(C)nnc1C ZINC000801550226 626409604 /nfs/dbraw/zinc/40/96/04/626409604.db2.gz SHWHDOGMVDCWBE-UHFFFAOYSA-N 0 0 313.401 3.242 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](C)c1cnn(C)c1 ZINC000801550013 626409642 /nfs/dbraw/zinc/40/96/42/626409642.db2.gz LCVBRRYILWKLPO-CQSZACIVSA-N 0 0 315.417 3.058 20 10 DGCDRN CCCCN(Cc1noc(C2CC2)n1)Cc1ccccc1O ZINC000801595199 626411362 /nfs/dbraw/zinc/41/13/62/626411362.db2.gz JCKMCBYNQURCID-UHFFFAOYSA-N 0 0 301.390 3.455 20 10 DGCDRN CCOc1ccc(O)c(CNc2ccc(OC(F)F)nc2)c1 ZINC000801739345 626416571 /nfs/dbraw/zinc/41/65/71/626416571.db2.gz NNHCJPKMSAIMOP-UHFFFAOYSA-N 0 0 310.300 3.399 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@H](C)c2ccsc2)ccc1[N+](=O)[O-] ZINC000802654210 626565263 /nfs/dbraw/zinc/56/52/63/626565263.db2.gz FFTZVCNCYRMSOL-SECBINFHSA-N 0 0 308.359 3.221 20 10 DGCDRN CCN(Cc1cc(Br)ccc1O)c1ccnc(C)n1 ZINC000131226602 626608586 /nfs/dbraw/zinc/60/85/86/626608586.db2.gz YGPGUXFUBDNHSL-UHFFFAOYSA-N 0 0 322.206 3.280 20 10 DGCDRN Cc1oc(C(C)C)cc1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000803717310 626629269 /nfs/dbraw/zinc/62/92/69/626629269.db2.gz PKFLOFOHRNCOSK-UHFFFAOYSA-N 0 0 318.325 3.162 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1ccc(F)cc1[O-] ZINC000883276742 626633999 /nfs/dbraw/zinc/63/39/99/626633999.db2.gz OXYSJWBSXBJEMU-CZUORRHYSA-N 0 0 307.365 3.016 20 10 DGCDRN COc1cccc(CNC(=O)[C@H](C)c2c(F)cccc2F)c1O ZINC000131482950 626644089 /nfs/dbraw/zinc/64/40/89/626644089.db2.gz IOKITABRXCDSSH-SNVBAGLBSA-N 0 0 321.323 3.099 20 10 DGCDRN COc1cccc(CNC(=O)c2cc(C)c(F)c(C)c2)c1O ZINC000131481262 626644099 /nfs/dbraw/zinc/64/40/99/626644099.db2.gz IPJJYHFVLXHONT-UHFFFAOYSA-N 0 0 303.333 3.087 20 10 DGCDRN CNC(=O)N(C)c1ccc(N[C@@H]2CCc3cccc(O)c32)cc1 ZINC000883318079 626644852 /nfs/dbraw/zinc/64/48/52/626644852.db2.gz FHZBGPGKHHLVJN-OAHLLOKOSA-N 0 0 311.385 3.267 20 10 DGCDRN CCN(CC)c1ccc(CNc2ccnc3c2cnn3C)cc1 ZINC000804357751 626673041 /nfs/dbraw/zinc/67/30/41/626673041.db2.gz MWVLDEKTFBDVLP-UHFFFAOYSA-N 0 0 309.417 3.427 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H](O)COCC(C)C)c1cccc(Cl)c1[O-] ZINC000806133459 626700918 /nfs/dbraw/zinc/70/09/18/626700918.db2.gz NOLQMTUPXGJXKK-SWLSCSKDSA-N 0 0 315.841 3.120 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](CCO)CSC)c1cccc(Cl)c1[O-] ZINC000806139441 626701210 /nfs/dbraw/zinc/70/12/10/626701210.db2.gz AOHCBJOULBEIHJ-GXFFZTMASA-N 0 0 303.855 3.200 20 10 DGCDRN C[C@H](NC(=O)N1CCC[C@H](CF)C1)c1ccc(N(C)C)cc1 ZINC000883582035 626709373 /nfs/dbraw/zinc/70/93/73/626709373.db2.gz LFRFGZRPPAWBCW-UONOGXRCSA-N 0 0 307.413 3.205 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)nc(Cl)c2)c1 ZINC000132321463 626714103 /nfs/dbraw/zinc/71/41/03/626714103.db2.gz JIJKCRBLNVLIRR-SNVBAGLBSA-N 0 0 320.776 3.249 20 10 DGCDRN OCCc1ccc(NCc2ccc(N3CCCCC3)cc2)cn1 ZINC000806669751 626730067 /nfs/dbraw/zinc/73/00/67/626730067.db2.gz GJXLBRCYFYDOFL-UHFFFAOYSA-N 0 0 311.429 3.219 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(F)(F)F ZINC000807139266 626747511 /nfs/dbraw/zinc/74/75/11/626747511.db2.gz AVONNNLMCMUHRE-VHSXEESVSA-N 0 0 303.328 3.064 20 10 DGCDRN CC[C@@H]1CCC[C@@H]1NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000132910198 626749765 /nfs/dbraw/zinc/74/97/65/626749765.db2.gz QFECKLVZPQFFBF-ZOWXZIJZSA-N 0 0 306.406 3.340 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCSC(C)C ZINC000807573225 626761087 /nfs/dbraw/zinc/76/10/87/626761087.db2.gz GUSLAWPDVRFZDY-UHFFFAOYSA-N 0 0 323.506 3.426 20 10 DGCDRN CC[C@H](c1ccccc1OC)N(C)C(=O)c1cccc(O)c1O ZINC000807860652 626772993 /nfs/dbraw/zinc/77/29/93/626772993.db2.gz CSMFNPHKNDAKKU-CQSZACIVSA-N 0 0 315.369 3.330 20 10 DGCDRN Cc1cc(Cl)ncc1NC(=O)N(C)Cc1ccccc1O ZINC000133214277 626776341 /nfs/dbraw/zinc/77/63/41/626776341.db2.gz ONQQFTYTCBLKGV-UHFFFAOYSA-N 0 0 305.765 3.413 20 10 DGCDRN CC(=O)C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC000808016291 626787647 /nfs/dbraw/zinc/78/76/47/626787647.db2.gz ZFDHGIRGOWRBQN-UHFFFAOYSA-N 0 0 316.740 3.108 20 10 DGCDRN CCSCCCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000800002647 626790508 /nfs/dbraw/zinc/79/05/08/626790508.db2.gz VAJVRSZBTFBOQD-UHFFFAOYSA-N 0 0 321.490 3.011 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(SC)o1 ZINC000808093540 626791916 /nfs/dbraw/zinc/79/19/16/626791916.db2.gz QEPYCWZHEDEIKE-UHFFFAOYSA-N 0 0 312.387 3.123 20 10 DGCDRN CC(=O)C(=O)COC(=O)C1(c2ccc(C(C)C)cc2)CCCC1 ZINC000808517025 626835329 /nfs/dbraw/zinc/83/53/29/626835329.db2.gz VQFZUYHVQGUGOD-UHFFFAOYSA-N 0 0 316.397 3.323 20 10 DGCDRN CCCCCn1cc(C(=O)OCC(=O)C(C)=O)c2ccccc21 ZINC000808534095 626837418 /nfs/dbraw/zinc/83/74/18/626837418.db2.gz FOJIZJCNRXJCBY-UHFFFAOYSA-N 0 0 315.369 3.146 20 10 DGCDRN O=C(NCc1ccccc1O)c1cc(Br)ccc1F ZINC000133762343 626837417 /nfs/dbraw/zinc/83/74/17/626837417.db2.gz AEZOOSDHQBANMJ-UHFFFAOYSA-N 0 0 324.149 3.224 20 10 DGCDRN O=C(NCc1ccccc1)NCc1ccc(N2CC=CC2)cc1 ZINC000133906852 626846327 /nfs/dbraw/zinc/84/63/27/626846327.db2.gz YKENDVBOHJSDFW-UHFFFAOYSA-N 0 0 307.397 3.062 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000808721086 626853799 /nfs/dbraw/zinc/85/37/99/626853799.db2.gz HORBHWMZJKWCLH-MMPTUQATSA-N 0 0 307.340 3.443 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1COc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000808727582 626854304 /nfs/dbraw/zinc/85/43/04/626854304.db2.gz JJLNVZNBXKPGBU-QWRGUYRKSA-N 0 0 305.324 3.497 20 10 DGCDRN C[C@@H]([NH2+][C@H]1COc2ccc(F)cc2C1)c1ccc(F)cc1[O-] ZINC000808729138 626854835 /nfs/dbraw/zinc/85/48/35/626854835.db2.gz HPZXXGLOIMUARK-QMTHXVAHSA-N 0 0 305.324 3.325 20 10 DGCDRN C[C@H]([NH2+][C@H]1COc2ccc(F)cc2C1)c1ccc(F)cc1[O-] ZINC000808729137 626854908 /nfs/dbraw/zinc/85/49/08/626854908.db2.gz HPZXXGLOIMUARK-IINYFYTJSA-N 0 0 305.324 3.325 20 10 DGCDRN COc1cc(C)cc(CN2Cc3ccc(C(C)=O)cc3C2)c1O ZINC000840174684 626912112 /nfs/dbraw/zinc/91/21/12/626912112.db2.gz NTDVEDQMMMUVLS-UHFFFAOYSA-N 0 0 311.381 3.428 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1ncc(CN(C)C)s1 ZINC000809635166 626930227 /nfs/dbraw/zinc/93/02/27/626930227.db2.gz DUHRYUSFPYAHHW-UHFFFAOYSA-N 0 0 317.458 3.166 20 10 DGCDRN Cc1cnn(C)c1CN1CCCc2cc(OC(F)F)ccc21 ZINC000809640105 626931331 /nfs/dbraw/zinc/93/13/31/626931331.db2.gz UBWBZMRTXRWLAC-UHFFFAOYSA-N 0 0 307.344 3.283 20 10 DGCDRN CNC(=O)c1ccc(NCc2cc(Cl)cc(F)c2O)cc1 ZINC000809659804 626934097 /nfs/dbraw/zinc/93/40/97/626934097.db2.gz ZVNYDMXJGRRLDQ-UHFFFAOYSA-N 0 0 308.740 3.156 20 10 DGCDRN CN(C)c1ccc(CN2CCCC[C@@H]2c2cc[nH]n2)cc1F ZINC000809693386 626937516 /nfs/dbraw/zinc/93/75/16/626937516.db2.gz UZZRTOXBHLHTBT-QGZVFWFLSA-N 0 0 302.397 3.342 20 10 DGCDRN C[C@@H]1CO[C@H](C(F)(F)F)CN1Cc1ccc(N(C)C)c(F)c1 ZINC000809697292 626938127 /nfs/dbraw/zinc/93/81/27/626938127.db2.gz ZCXLJHQXNGIZCD-YGRLFVJLSA-N 0 0 320.330 3.043 20 10 DGCDRN CC[C@@H]1CN(Cc2ccc(N(CC)CC)cc2)C[C@H](C)[S@]1=O ZINC000809700621 626938862 /nfs/dbraw/zinc/93/88/62/626938862.db2.gz KRHNUBSMTWAHBF-QXATTWAWSA-N 0 0 322.518 3.264 20 10 DGCDRN C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc(Cl)cc(F)c1[O-] ZINC000809703953 626939239 /nfs/dbraw/zinc/93/92/39/626939239.db2.gz SEIPMMOIBRPFRA-RISCZKNCSA-N 0 0 312.816 3.243 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C[C@@H](O)C(F)(F)F)cc1F ZINC000809750553 626946558 /nfs/dbraw/zinc/94/65/58/626946558.db2.gz AAEMGZQFFNHYGV-CQSZACIVSA-N 0 0 322.346 3.027 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1cnc2cnccn12 ZINC000809775572 626950878 /nfs/dbraw/zinc/95/08/78/626950878.db2.gz DSZXASMDUVHJSB-UHFFFAOYSA-N 0 0 323.183 3.032 20 10 DGCDRN COc1ccccc1N(CCO)Cc1cc(Cl)ccc1O ZINC000809793494 626955313 /nfs/dbraw/zinc/95/53/13/626955313.db2.gz YWFWVUBRCSNOOE-UHFFFAOYSA-N 0 0 307.777 3.053 20 10 DGCDRN COCCN(Cc1cccnc1C)c1ccc(OC)c(OC)c1 ZINC000809963244 626963086 /nfs/dbraw/zinc/96/30/86/626963086.db2.gz LJSJWVKQVFQGJZ-UHFFFAOYSA-N 0 0 316.401 3.060 20 10 DGCDRN CCN(CCCOc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000810000903 626967011 /nfs/dbraw/zinc/96/70/11/626967011.db2.gz QNBPZBKUSQNLBX-UHFFFAOYSA-N 0 0 304.356 3.406 20 10 DGCDRN C[C@H]1Cc2ccccc2N1C(=O)COc1ccc(N(C)C)cc1 ZINC000810000980 626967080 /nfs/dbraw/zinc/96/70/80/626967080.db2.gz SSWZNFXCYKKABA-AWEZNQCLSA-N 0 0 310.397 3.109 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCCC(=O)[C@H]1C ZINC000885039810 626968430 /nfs/dbraw/zinc/96/84/30/626968430.db2.gz QSDLAQQWTYKBGD-CYBMUJFWSA-N 0 0 316.426 3.349 20 10 DGCDRN COCc1nc(CN[C@H]2C[C@H](C)c3c2c(O)ccc3F)cs1 ZINC000810253656 626993470 /nfs/dbraw/zinc/99/34/70/626993470.db2.gz ZONXRIMDJFNDKR-CABZTGNLSA-N 0 0 322.405 3.472 20 10 DGCDRN COc1cc(N(C)C[C@@H]2CC[C@H](C3CC3)O2)cc(OC)c1OC ZINC000886021016 627086372 /nfs/dbraw/zinc/08/63/72/627086372.db2.gz MVYAYDDKVJLCHB-LSDHHAIUSA-N 0 0 321.417 3.106 20 10 DGCDRN CCN(Cc1cccnc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000886052203 627094797 /nfs/dbraw/zinc/09/47/97/627094797.db2.gz NLUUWRSNDGVKPQ-UHFFFAOYSA-N 0 0 317.345 3.034 20 10 DGCDRN COc1ccc(N(Cc2cccnc2[N+](=O)[O-])CC2CC2)cc1 ZINC000886231385 627124744 /nfs/dbraw/zinc/12/47/44/627124744.db2.gz CNRZBQRBUCWRFL-UHFFFAOYSA-N 0 0 313.357 3.415 20 10 DGCDRN C[C@H]([NH2+]CCC(=O)NC1CCCCC1)c1c([O-])cccc1F ZINC000886508551 627154544 /nfs/dbraw/zinc/15/45/44/627154544.db2.gz DPHBTLTUURYHPR-LBPRGKRZSA-N 0 0 308.397 3.021 20 10 DGCDRN CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)c1 ZINC000886514636 627155574 /nfs/dbraw/zinc/15/55/74/627155574.db2.gz VFEMGCNXPNHHGT-LBPRGKRZSA-N 0 0 316.376 3.132 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1c([O-])cccc1F ZINC000886526373 627157072 /nfs/dbraw/zinc/15/70/72/627157072.db2.gz LHOPDKCAWGOSDP-RYUDHWBXSA-N 0 0 324.396 3.191 20 10 DGCDRN C[C@@H]([NH2+]CCCOCC1CCOCC1)c1c([O-])cccc1F ZINC000886530548 627157906 /nfs/dbraw/zinc/15/79/06/627157906.db2.gz MHFYNVBGUOXSLV-CYBMUJFWSA-N 0 0 311.397 3.015 20 10 DGCDRN C[C@@H]([NH2+]Cc1cccc2c1OCCO2)c1c([O-])cccc1F ZINC000886548023 627160689 /nfs/dbraw/zinc/16/06/89/627160689.db2.gz WGQVHVCZNNSHPX-LLVKDONJSA-N 0 0 303.333 3.153 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1OCCc2ccccc21)c1c([O-])cccc1F ZINC000886548186 627160923 /nfs/dbraw/zinc/16/09/23/627160923.db2.gz YMKGHYKICXWYNQ-YVEFUNNKSA-N 0 0 301.361 3.496 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1c([O-])cccc1F ZINC000886550112 627161258 /nfs/dbraw/zinc/16/12/58/627161258.db2.gz SKELGYGHIPOBAJ-WIUDPPPLSA-N 0 0 307.390 3.120 20 10 DGCDRN C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886601603 627170862 /nfs/dbraw/zinc/17/08/62/627170862.db2.gz XNZMRRNJLJKNKL-QWRGUYRKSA-N 0 0 312.385 3.095 20 10 DGCDRN CNC(=O)CC1(C[NH2+][C@@H](C)c2c([O-])cccc2F)CCCCC1 ZINC000886640163 627178445 /nfs/dbraw/zinc/17/84/45/627178445.db2.gz SWRLDYWQJQPJQQ-ZDUSSCGKSA-N 0 0 322.424 3.269 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1CCC2(CCC2)CO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000886730491 627198490 /nfs/dbraw/zinc/19/84/90/627198490.db2.gz FGGBMEGSDHUFCH-TZMCWYRMSA-N 0 0 320.389 3.300 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)[C@@H]2C)O1)c1c([O-])cccc1F ZINC000886769543 627203000 /nfs/dbraw/zinc/20/30/00/627203000.db2.gz WUKFAFRYIWBRRQ-PLGIXQIDSA-N 0 0 323.408 3.155 20 10 DGCDRN Cc1cc(Cl)cc([C@@H](C)N[C@H](CCO)C(F)(F)F)c1O ZINC000886804169 627206281 /nfs/dbraw/zinc/20/62/81/627206281.db2.gz SYISSZRDXYLSGF-LDYMZIIASA-N 0 0 311.731 3.318 20 10 DGCDRN CCN1C(=O)/C(=C/c2cc(C)cc(OC)c2OC)SC1=S ZINC000887273998 627240007 /nfs/dbraw/zinc/24/00/07/627240007.db2.gz HKFQDBZMIKOTPO-WQLSENKSSA-N 0 0 323.439 3.233 20 10 DGCDRN COc1cc(C)cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)c1O ZINC000887323665 627243621 /nfs/dbraw/zinc/24/36/21/627243621.db2.gz DCBLMTVTLVPAJR-SFHVURJKSA-N 0 0 324.380 3.438 20 10 DGCDRN Cc1ccc(O)c(CN2CC(O)(c3ccc(Cl)cc3)C2)c1 ZINC000811509045 627284253 /nfs/dbraw/zinc/28/42/53/627284253.db2.gz LXYNJHUNSYASTO-UHFFFAOYSA-N 0 0 303.789 3.057 20 10 DGCDRN Cc1cccc2c1OC[C@H]([NH2+]Cc1cccc(Cl)c1[O-])C2 ZINC000811517923 627286037 /nfs/dbraw/zinc/28/60/37/627286037.db2.gz DIHDIMXKBPGFSP-CQSZACIVSA-N 0 0 303.789 3.447 20 10 DGCDRN CN(C)c1cccnc1CNC(=S)Nc1ccccc1Cl ZINC000811709601 627309186 /nfs/dbraw/zinc/30/91/86/627309186.db2.gz CCHUVFRXXFOYKA-UHFFFAOYSA-N 0 0 320.849 3.288 20 10 DGCDRN Cc1cc(C)cc(NC(=S)NCc2ncccc2N(C)C)c1 ZINC000811709997 627310134 /nfs/dbraw/zinc/31/01/34/627310134.db2.gz WFSOXFNHDYFYKX-UHFFFAOYSA-N 0 0 314.458 3.251 20 10 DGCDRN COc1ccc(O)c(CNc2ccc([N+](=O)[O-])c(C(C)=O)c2)c1 ZINC000811806007 627323373 /nfs/dbraw/zinc/32/33/73/627323373.db2.gz HPOOUTUUZACKPL-UHFFFAOYSA-N 0 0 316.313 3.124 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H](C2CC2)C1 ZINC000812048713 627350469 /nfs/dbraw/zinc/35/04/69/627350469.db2.gz WMMLHIJRMWLNDF-QGZVFWFLSA-N 0 0 315.461 3.393 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)[C@H](C)COC ZINC000812455038 627388216 /nfs/dbraw/zinc/38/82/16/627388216.db2.gz VPQPZMLSKQRALA-CABCVRRESA-N 0 0 306.450 3.020 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H](C)[C@H](C)COC)cc1 ZINC000812453773 627388294 /nfs/dbraw/zinc/38/82/94/627388294.db2.gz TUQZDKCBLNKIEX-HZPDHXFCSA-N 0 0 320.477 3.410 20 10 DGCDRN CCC[C@@H]1C[C@H]1C(=O)NCc1cccc(Br)c1O ZINC000812558414 627397637 /nfs/dbraw/zinc/39/76/37/627397637.db2.gz YPPSKMOURAOJKF-MWLCHTKSSA-N 0 0 312.207 3.207 20 10 DGCDRN Cn1ncc2ccc(C[NH2+]Cc3c([O-])ccc(Cl)c3F)cc21 ZINC000812772704 627418603 /nfs/dbraw/zinc/41/86/03/627418603.db2.gz ZWNCHIHAYZTCNF-UHFFFAOYSA-N 0 0 319.767 3.361 20 10 DGCDRN COc1cccc(O)c1CN1CCn2c(cc3ccccc32)C1 ZINC000812799767 627422317 /nfs/dbraw/zinc/42/23/17/627422317.db2.gz FQUDVHDUBVMCON-UHFFFAOYSA-N 0 0 308.381 3.371 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2C[C@@H]3CCC[C@@H]23)c(C)n1-c1ccccn1 ZINC000889585871 627441419 /nfs/dbraw/zinc/44/14/19/627441419.db2.gz DUDNSPUWATZHQB-ZMSDIMECSA-N 0 0 309.413 3.408 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)c2cccc(CO)c2)C2CC2)cc1 ZINC000813406100 627487192 /nfs/dbraw/zinc/48/71/92/627487192.db2.gz HHASCRNMJSFAKC-UHFFFAOYSA-N 0 0 324.424 3.050 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H](O)CC(C)(C)C ZINC000813425716 627489281 /nfs/dbraw/zinc/48/92/81/627489281.db2.gz RBBVUUMWGHKOJR-QGZVFWFLSA-N 0 0 320.477 3.288 20 10 DGCDRN O=C(CCCc1ccccc1Cl)NCc1ccc(O)c(O)c1 ZINC000813491360 627493718 /nfs/dbraw/zinc/49/37/18/627493718.db2.gz WGXPTCBNEMUUQU-UHFFFAOYSA-N 0 0 319.788 3.390 20 10 DGCDRN C[C@H](NC(=O)[C@@H]1CCOC2(CCC2)C1)c1ccc(N(C)C)cc1 ZINC000890030495 627495445 /nfs/dbraw/zinc/49/54/45/627495445.db2.gz FJQPYXCJIZUGIB-GOEBONIOSA-N 0 0 316.445 3.279 20 10 DGCDRN C[C@@H](NC(=O)[C@H]1CCOC2(CCC2)C1)c1ccc(N(C)C)cc1 ZINC000890030497 627495643 /nfs/dbraw/zinc/49/56/43/627495643.db2.gz FJQPYXCJIZUGIB-ZBFHGGJFSA-N 0 0 316.445 3.279 20 10 DGCDRN Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1cccc(O)c1O ZINC000813523598 627496147 /nfs/dbraw/zinc/49/61/47/627496147.db2.gz USWYVAHZTHEWQB-UHFFFAOYSA-N 0 0 309.325 3.049 20 10 DGCDRN C[C@H](NC(=O)C[C@@H](O)CC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000813524487 627496159 /nfs/dbraw/zinc/49/61/59/627496159.db2.gz CMXGYZUSZNGPNI-XJKSGUPXSA-N 0 0 306.450 3.117 20 10 DGCDRN COc1ccc(O)c(CNc2cnc(-c3ccccc3)cn2)c1 ZINC000813593649 627500949 /nfs/dbraw/zinc/50/09/49/627500949.db2.gz DWGZLIPTWVQWTN-UHFFFAOYSA-N 0 0 307.353 3.470 20 10 DGCDRN CNC(=O)Oc1cccc(NCc2c(O)cccc2Cl)c1 ZINC000813791253 627512303 /nfs/dbraw/zinc/51/23/03/627512303.db2.gz AKYXXKHFWZQHEF-UHFFFAOYSA-N 0 0 306.749 3.376 20 10 DGCDRN CC(C)[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])C1(CO)CCC1 ZINC000814171601 627545920 /nfs/dbraw/zinc/54/59/20/627545920.db2.gz RLESWEFIKJQDCK-HNNXBMFYSA-N 0 0 315.816 3.462 20 10 DGCDRN CCN(CC)c1ccc(CN(C)[C@@H]2CC(C)(C)OC2=O)cc1 ZINC000814180674 627547964 /nfs/dbraw/zinc/54/79/64/627547964.db2.gz QSUTVSLHHJAZQI-MRXNPFEDSA-N 0 0 304.434 3.059 20 10 DGCDRN COCc1ccccc1C=C(C)C=C1SC(=S)NC1=O ZINC000814187094 627548500 /nfs/dbraw/zinc/54/85/00/627548500.db2.gz ZENAKCQFFHKOAB-SAJCGKLUSA-N 0 0 305.424 3.268 20 10 DGCDRN Oc1ccccc1CN(Cc1ccco1)C(=S)NC1CCC1 ZINC000814191010 627548913 /nfs/dbraw/zinc/54/89/13/627548913.db2.gz FMKGGVPYQUSQJF-UHFFFAOYSA-N 0 0 316.426 3.414 20 10 DGCDRN COc1ccc(N2CCN(C(=O)C(C)(C)C(C)(C)C)CC2)cc1 ZINC000814211223 627551796 /nfs/dbraw/zinc/55/17/96/627551796.db2.gz UGFQHVPPHZELTN-UHFFFAOYSA-N 0 0 318.461 3.416 20 10 DGCDRN COc1ccc(O)c(CNc2nc3ccc(F)cc3n2C)c1 ZINC000814257165 627555133 /nfs/dbraw/zinc/55/51/33/627555133.db2.gz WNCBWSHOEJYRNR-UHFFFAOYSA-N 0 0 301.321 3.039 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC[C@H](OC)C2)cc1 ZINC000814405887 627562960 /nfs/dbraw/zinc/56/29/60/627562960.db2.gz HSUIVWZDYXIISU-AEFFLSMTSA-N 0 0 318.461 3.354 20 10 DGCDRN CO[C@@H]1CCC[C@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000814415582 627563705 /nfs/dbraw/zinc/56/37/05/627563705.db2.gz WNGBWSOTMJJXRC-JLJPHGGASA-N 0 0 304.434 3.135 20 10 DGCDRN Cc1cc(CCNC(=O)N[C@@H](C)CF)c(C)n1-c1ccccc1 ZINC000814423091 627564096 /nfs/dbraw/zinc/56/40/96/627564096.db2.gz VTCJOEVRKKXKGI-ZDUSSCGKSA-N 0 0 317.408 3.294 20 10 DGCDRN C[C@@H](NCc1nnc(C(C)(C)C)[nH]1)c1ccc(N(C)C)cc1 ZINC000814632006 627580796 /nfs/dbraw/zinc/58/07/96/627580796.db2.gz VPKNUUHEOUJFCL-GFCCVEGCSA-N 0 0 301.438 3.019 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC1CC=CC1 ZINC000840326578 627597680 /nfs/dbraw/zinc/59/76/80/627597680.db2.gz JTQRCSVWXNMUHT-CQSZACIVSA-N 0 0 301.434 3.010 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCC1C[C@H]2CC[C@@H](C1)S2 ZINC000924302383 627624064 /nfs/dbraw/zinc/62/40/64/627624064.db2.gz KEWDDRGZNXLJCD-LQDVMPOASA-N 0 0 320.458 3.208 20 10 DGCDRN CCN(CC)c1ccc(CN[C@H](C)c2cc(OC)no2)cc1 ZINC000924710564 627671621 /nfs/dbraw/zinc/67/16/21/627671621.db2.gz LYDWFRIBLZDXMA-CYBMUJFWSA-N 0 0 303.406 3.380 20 10 DGCDRN CC(C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815572255 627686331 /nfs/dbraw/zinc/68/63/31/627686331.db2.gz YLFYJAMSPZONJC-GHMZBOCLSA-N 0 0 305.340 3.469 20 10 DGCDRN C[C@H]([NH2+]CCOCC1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815577997 627686446 /nfs/dbraw/zinc/68/64/46/627686446.db2.gz FGWQZQSHWJIYPH-JTQLQIEISA-N 0 0 303.324 3.488 20 10 DGCDRN C[C@H]([NH2+]CCC1CC(O)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815621118 627691576 /nfs/dbraw/zinc/69/15/76/627691576.db2.gz LWMKJHDZHPQQCV-WHXUTIOJSA-N 0 0 303.324 3.223 20 10 DGCDRN COCC[C@H](COC)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815628384 627693100 /nfs/dbraw/zinc/69/31/00/627693100.db2.gz YTFNWZYARAJNES-WDEREUQCSA-N 0 0 321.339 3.113 20 10 DGCDRN CC(F)(F)c1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000815834120 627707054 /nfs/dbraw/zinc/70/70/54/627707054.db2.gz UEHIINIPRUPWPR-UHFFFAOYSA-N 0 0 321.323 3.182 20 10 DGCDRN C[C@H](c1ccc(F)cc1[O-])[N@@H+]1CCOc2ccc(N)cc2C1 ZINC000925753225 627788167 /nfs/dbraw/zinc/78/81/67/627788167.db2.gz FDSXCCRAHABFIS-LLVKDONJSA-N 0 0 302.349 3.069 20 10 DGCDRN CC[C@H](N[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000925784782 627794750 /nfs/dbraw/zinc/79/47/50/627794750.db2.gz NTUUEFJKIZZOGD-JFUSQASVSA-N 0 0 303.233 3.348 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000816495267 627796855 /nfs/dbraw/zinc/79/68/55/627796855.db2.gz QKRJCPFEEJKCMN-UHFFFAOYSA-N 0 0 309.772 3.287 20 10 DGCDRN Cn1nccc1[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816494319 627796940 /nfs/dbraw/zinc/79/69/40/627796940.db2.gz GWGRWXYJHBRBQR-LLVKDONJSA-N 0 0 323.799 3.298 20 10 DGCDRN CNC(=O)c1cccc(NCc2cc(Cl)c(F)cc2O)c1 ZINC000816524606 627802506 /nfs/dbraw/zinc/80/25/06/627802506.db2.gz LPWFOTWRCOXAGH-UHFFFAOYSA-N 0 0 308.740 3.156 20 10 DGCDRN CNC(=O)Cc1ccc(NCc2ccc3ccccc3c2O)cc1 ZINC000816522814 627802672 /nfs/dbraw/zinc/80/26/72/627802672.db2.gz PGZDCEJEWCJIQU-UHFFFAOYSA-N 0 0 320.392 3.446 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCOc1ccccc1F ZINC000816528776 627802956 /nfs/dbraw/zinc/80/29/56/627802956.db2.gz RBKRHPJMPQTWSS-UHFFFAOYSA-N 0 0 313.731 3.492 20 10 DGCDRN Cc1nccn1C[C@@H](C)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816532620 627803087 /nfs/dbraw/zinc/80/30/87/627803087.db2.gz OXWQZKCTNLJVHP-JTQLQIEISA-N 0 0 311.788 3.116 20 10 DGCDRN CC[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])N1CCCC1 ZINC000816534491 627803576 /nfs/dbraw/zinc/80/35/76/627803576.db2.gz KOMCLJWQXABZTC-GFCCVEGCSA-N 0 0 300.805 3.149 20 10 DGCDRN O=C1COc2ccc(NCc3cc(Cl)c(F)cc3O)cc2N1 ZINC000816537127 627803929 /nfs/dbraw/zinc/80/39/29/627803929.db2.gz UJGDKQZCZGQRFM-UHFFFAOYSA-N 0 0 322.723 3.128 20 10 DGCDRN C[C@@H](CN1CCC[C@@H](C)C1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816538216 627804144 /nfs/dbraw/zinc/80/41/44/627804144.db2.gz JJCPUWWQDWKWGT-NEPJUHHUSA-N 0 0 314.832 3.395 20 10 DGCDRN C[C@@]1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCCC[C@H]1O ZINC000816555867 627806853 /nfs/dbraw/zinc/80/68/53/627806853.db2.gz SCPRMSNQFSFDJC-CABCVRRESA-N 0 0 301.789 3.216 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCCNc1ccccn1 ZINC000816563094 627808333 /nfs/dbraw/zinc/80/83/33/627808333.db2.gz JSAYREVEFHJUTP-UHFFFAOYSA-N 0 0 309.772 3.172 20 10 DGCDRN CN(Cc1ccccc1-c1ccnn1C)c1ccc2c(c1)OCO2 ZINC000816566056 627809556 /nfs/dbraw/zinc/80/95/56/627809556.db2.gz KJDYRYXBWFIAIO-UHFFFAOYSA-N 0 0 321.380 3.452 20 10 DGCDRN CCC[C@]1(CO)CCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816592225 627812775 /nfs/dbraw/zinc/81/27/75/627812775.db2.gz CLVQKZPOYNVGNT-OAHLLOKOSA-N 0 0 301.789 3.312 20 10 DGCDRN Cc1ccc(C[N@H+](CCO)Cc2cc(Cl)c(F)cc2[O-])o1 ZINC000816596412 627812850 /nfs/dbraw/zinc/81/28/50/627812850.db2.gz ATWHGQDAPDLJEL-UHFFFAOYSA-N 0 0 313.756 3.081 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000816592396 627812878 /nfs/dbraw/zinc/81/28/78/627812878.db2.gz IYGKSBSIJWRICK-ZDUSSCGKSA-N 0 0 312.816 3.291 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCCCC[C@@H]1CCO ZINC000816603165 627813346 /nfs/dbraw/zinc/81/33/46/627813346.db2.gz AWKFNDGYBSADHW-GFCCVEGCSA-N 0 0 301.789 3.312 20 10 DGCDRN O=C1NCc2c1cccc2NCc1cc(Cl)c(F)cc1O ZINC000816609398 627814198 /nfs/dbraw/zinc/81/41/98/627814198.db2.gz AMBKHDVXIGTULL-UHFFFAOYSA-N 0 0 306.724 3.040 20 10 DGCDRN CCCN1CCC[C@H]1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816609602 627814294 /nfs/dbraw/zinc/81/42/94/627814294.db2.gz HCHXACCOEREWBS-LBPRGKRZSA-N 0 0 300.805 3.149 20 10 DGCDRN CC1(C)CN(Cc2cc(F)ccc2O)C[C@](C)(C(F)(F)F)O1 ZINC000816643127 627819298 /nfs/dbraw/zinc/81/92/98/627819298.db2.gz WAFLDOGEQBLFTE-CQSZACIVSA-N 0 0 321.314 3.463 20 10 DGCDRN Cc1cc(C(=O)Nc2nc(C)n(C)n2)c(C)n1-c1ccccc1C ZINC000816721825 627826576 /nfs/dbraw/zinc/82/65/76/627826576.db2.gz UGSLDZRAESKLII-UHFFFAOYSA-N 0 0 323.400 3.092 20 10 DGCDRN Cc1cc(C(=O)Nc2c(C)[nH][nH]c2=O)c(C)n1-c1ccccc1C ZINC000816740961 627827864 /nfs/dbraw/zinc/82/78/64/627827864.db2.gz RXZUBRSENGVKSW-UHFFFAOYSA-N 0 0 324.384 3.392 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)Cc2ccncc2Cl)cc1 ZINC000816822489 627833122 /nfs/dbraw/zinc/83/31/22/627833122.db2.gz MDCCAQGNYUHJKI-UHFFFAOYSA-N 0 0 317.820 3.002 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1snc(Cl)c1Cl ZINC000816889088 627837303 /nfs/dbraw/zinc/83/73/03/627837303.db2.gz MAQCRFIFSBBOTI-UHFFFAOYSA-N 0 0 317.197 3.428 20 10 DGCDRN CC[C@@H]1CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@H](CC)O1 ZINC000817126385 627858177 /nfs/dbraw/zinc/85/81/77/627858177.db2.gz ZUMOSLXRECOCGF-VXGBXAGGSA-N 0 0 324.377 3.006 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)OC[C@@H]3CCCO3)cc12 ZINC000817151995 627859690 /nfs/dbraw/zinc/85/96/90/627859690.db2.gz JGMKDZAZMTVSND-AWEZNQCLSA-N 0 0 303.358 3.490 20 10 DGCDRN COc1ccc(N(Cc2nn(C)cc2Cl)CC2CC2)cc1 ZINC000817276583 627876003 /nfs/dbraw/zinc/87/60/03/627876003.db2.gz JQNJQGDGGWZPEQ-UHFFFAOYSA-N 0 0 305.809 3.499 20 10 DGCDRN CCCc1[nH]ccc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000817517044 627915204 /nfs/dbraw/zinc/91/52/04/627915204.db2.gz LODQLLLNSGQMBM-UHFFFAOYSA-N 0 0 311.429 3.497 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H](C2CCCC2)C1 ZINC000817636846 627932284 /nfs/dbraw/zinc/93/22/84/627932284.db2.gz TZYPLKDCBOFVJW-PMGBHYCQSA-N 0 0 301.386 3.150 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@@H](C)c3cnn(C)c3)cc12 ZINC000817760995 627946729 /nfs/dbraw/zinc/94/67/29/627946729.db2.gz JEIUHYBXVBYRJO-LBPRGKRZSA-N 0 0 311.385 3.238 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)cc12 ZINC000817762297 627947672 /nfs/dbraw/zinc/94/76/72/627947672.db2.gz RUKVBYBILAEWIV-DLBZAZTESA-N 0 0 323.396 3.238 20 10 DGCDRN Nc1ccc(Cc2nc(C(=O)NCC3CCCC3)cs2)cc1 ZINC000817914513 627960427 /nfs/dbraw/zinc/96/04/27/627960427.db2.gz ZBBOUOKEVZBFQF-UHFFFAOYSA-N 0 0 315.442 3.236 20 10 DGCDRN CC(C)C(C)(C)NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817927867 627963789 /nfs/dbraw/zinc/96/37/89/627963789.db2.gz RPGWLKORZQNTRN-UHFFFAOYSA-N 0 0 317.458 3.481 20 10 DGCDRN CCC1(CNC(=O)c2csc(Cc3ccc(N)cc3)n2)CC1 ZINC000817934741 627966076 /nfs/dbraw/zinc/96/60/76/627966076.db2.gz BZFAAEQFWUWYNO-UHFFFAOYSA-N 0 0 315.442 3.236 20 10 DGCDRN CC[C@@H]([NH2+][C@H]1CCCNC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817942031 627969003 /nfs/dbraw/zinc/96/90/03/627969003.db2.gz WBUZWFWTQKGDPI-GXFFZTMASA-N 0 0 303.233 3.492 20 10 DGCDRN CC[C@H]([NH2+]CCNC1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817954020 627973399 /nfs/dbraw/zinc/97/33/99/627973399.db2.gz VCFDJVHRANPBHE-LBPRGKRZSA-N 0 0 303.233 3.492 20 10 DGCDRN CC[C@H]([NH2+][C@@H](CN)C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817961227 627975812 /nfs/dbraw/zinc/97/58/12/627975812.db2.gz VOKZYOFCBJWJSA-RYUDHWBXSA-N 0 0 303.233 3.477 20 10 DGCDRN C[C@H]1CC[C@H](C)N1C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817960287 627976104 /nfs/dbraw/zinc/97/61/04/627976104.db2.gz LRNNLABSDWRTCY-RYUDHWBXSA-N 0 0 315.442 3.329 20 10 DGCDRN CC[C@H]([NH2+][C@H](CN)C1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817961366 627976207 /nfs/dbraw/zinc/97/62/07/627976207.db2.gz XTUKCSVSHFUNTJ-QWHCGFSZSA-N 0 0 303.233 3.477 20 10 DGCDRN C[C@@H](NCC(F)(F)CN)c1ccc(N2CCCCC2)c(F)c1 ZINC000817966360 627977521 /nfs/dbraw/zinc/97/75/21/627977521.db2.gz MCWLYIOQSFCQJB-GFCCVEGCSA-N 0 0 315.383 3.061 20 10 DGCDRN C[C@H]([NH2+][C@H]1CNCC[C@@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817968763 627978765 /nfs/dbraw/zinc/97/87/65/627978765.db2.gz MBVRPDBONKOVEK-AUTRQRHGSA-N 0 0 303.233 3.348 20 10 DGCDRN C[C@H]([NH2+][C@H]1CNCC[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817968765 627978775 /nfs/dbraw/zinc/97/87/75/627978775.db2.gz MBVRPDBONKOVEK-PTRXPTGYSA-N 0 0 303.233 3.348 20 10 DGCDRN Cc1cc(N)cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000817979906 627982481 /nfs/dbraw/zinc/98/24/81/627982481.db2.gz FYYGKYXLOFBZJH-LLVKDONJSA-N 0 0 301.346 3.042 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000926951405 627988359 /nfs/dbraw/zinc/98/83/59/627988359.db2.gz QTJJYVSNKSQRMD-UBHAPETDSA-N 0 0 317.307 3.028 20 10 DGCDRN C[C@@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000926966479 627990707 /nfs/dbraw/zinc/99/07/07/627990707.db2.gz ZXYQHCJTUFVALL-RNCFNFMXSA-N 0 0 308.319 3.065 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccco1)c1ccc(N(C)C)cc1 ZINC000840355009 628007279 /nfs/dbraw/zinc/00/72/79/628007279.db2.gz VKCRXTJUZXZYSX-APHBMKBZSA-N 0 0 313.401 3.262 20 10 DGCDRN COC(=O)c1cnc([C@H](C)N[C@@H](C)c2ccc(F)cc2O)s1 ZINC000818355875 628018009 /nfs/dbraw/zinc/01/80/09/628018009.db2.gz KJRJERYOXDVQRX-IUCAKERBSA-N 0 0 324.377 3.186 20 10 DGCDRN COC(=O)c1cnc([C@H](C)N[C@H](C)c2cc(F)ccc2O)s1 ZINC000818355512 628018116 /nfs/dbraw/zinc/01/81/16/628018116.db2.gz HAPRGKHNKXLEII-BDAKNGLRSA-N 0 0 324.377 3.186 20 10 DGCDRN Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCCc1ccc(N)cc1 ZINC000818545257 628033552 /nfs/dbraw/zinc/03/35/52/628033552.db2.gz SFSONTXWRPIQMI-GJZGRUSLSA-N 0 0 300.427 3.101 20 10 DGCDRN Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCCc1ccc(N)cc1 ZINC000818545258 628033696 /nfs/dbraw/zinc/03/36/96/628033696.db2.gz SFSONTXWRPIQMI-HUUCEWRRSA-N 0 0 300.427 3.101 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000840363895 628042803 /nfs/dbraw/zinc/04/28/03/628042803.db2.gz FQJFNGLJGXEQNL-DOPJRALCSA-N 0 0 315.461 3.090 20 10 DGCDRN C[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H]1C(=O)[O-] ZINC000818631807 628045187 /nfs/dbraw/zinc/04/51/87/628045187.db2.gz QSDSHUFRZLKUBY-YJBOKZPZSA-N 0 0 316.445 3.362 20 10 DGCDRN CC1(C)C[C@@H](CNC(=O)N2Cc3cccc(O)c3C2)C(C)(C)O1 ZINC000927633138 628084772 /nfs/dbraw/zinc/08/47/72/628084772.db2.gz SBEGLKYIGIWIIT-ZDUSSCGKSA-N 0 0 318.417 3.011 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)/C=C\[C@@H]2CCCO2)cc1F ZINC000819261139 628122854 /nfs/dbraw/zinc/12/28/54/628122854.db2.gz ZWWLMWRQKRDKLB-WWRUEGTHSA-N 0 0 320.408 3.023 20 10 DGCDRN Cc1cc(C(=O)N2CC3(C2)CCOC3)c(C)n1-c1cccc(C)c1 ZINC000819385024 628144848 /nfs/dbraw/zinc/14/48/48/628144848.db2.gz XKARESJEFCQHRW-UHFFFAOYSA-N 0 0 324.424 3.265 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)C3=C(C)CCC3)C2)cc1 ZINC000819586451 628171337 /nfs/dbraw/zinc/17/13/37/628171337.db2.gz QEDAAEAFGYZIMX-OAHLLOKOSA-N 0 0 314.429 3.138 20 10 DGCDRN CC[C@H](C)[C@H](C)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819586332 628171618 /nfs/dbraw/zinc/17/16/18/628171618.db2.gz NNUNKWPLLSIKLY-JYJNAYRXSA-N 0 0 318.461 3.320 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2CC[C@H]2O)c(C)n1-c1cccc(Cl)c1 ZINC000819683798 628179497 /nfs/dbraw/zinc/17/94/97/628179497.db2.gz CYHIVGPMCIGGAK-HZPDHXFCSA-N 0 0 318.804 3.001 20 10 DGCDRN COc1ccc(C[C@H](C)C(=O)NCc2c(O)cccc2F)cc1 ZINC000928704811 628179702 /nfs/dbraw/zinc/17/97/02/628179702.db2.gz DJQHZMLFIOCILK-LBPRGKRZSA-N 0 0 317.360 3.035 20 10 DGCDRN CC(C)(C)c1nc(CC(=O)NCc2c(O)cccc2F)cs1 ZINC000928710335 628179941 /nfs/dbraw/zinc/17/99/41/628179941.db2.gz BQKPPFVQAXNJIX-UHFFFAOYSA-N 0 0 322.405 3.144 20 10 DGCDRN CC[C@H](C(=O)NCc1c(O)cccc1F)c1ccc(OC)cc1 ZINC000928708999 628180072 /nfs/dbraw/zinc/18/00/72/628180072.db2.gz VAFHRELJXQZFEI-AWEZNQCLSA-N 0 0 317.360 3.350 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC1=NC[C@@H](C)S1 ZINC000819767402 628187722 /nfs/dbraw/zinc/18/77/22/628187722.db2.gz SYWWAOMICKKJNP-LLVKDONJSA-N 0 0 319.455 3.377 20 10 DGCDRN Cc1cc(C(=O)OCCO)c(C)n1-c1ccc(C(C)C)cc1 ZINC000928989629 628202831 /nfs/dbraw/zinc/20/28/31/628202831.db2.gz WYPINVWDXMHCDO-UHFFFAOYSA-N 0 0 301.386 3.367 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)Cc2cscn2)cc1 ZINC000819974163 628207682 /nfs/dbraw/zinc/20/76/82/628207682.db2.gz IVLTZZIVMIVBNR-UHFFFAOYSA-N 0 0 317.458 3.190 20 10 DGCDRN CO[C@H](COC(=O)c1sc2nc(C)cc(C)c2c1N)C1CC1 ZINC000820195669 628233110 /nfs/dbraw/zinc/23/31/10/628233110.db2.gz XIDDTIZIZAIAFB-LLVKDONJSA-N 0 0 320.414 3.077 20 10 DGCDRN O=C(O[C@@H](C(=O)C1CC1)c1ccccc1)C1=CC(=O)CS1 ZINC000820362936 628250110 /nfs/dbraw/zinc/25/01/10/628250110.db2.gz JFKDSZXHZMUPFC-OAHLLOKOSA-N 0 0 302.351 3.331 20 10 DGCDRN CCN(CC(C)=O)C(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000820443009 628259321 /nfs/dbraw/zinc/25/93/21/628259321.db2.gz HHLCEMYKANIVJC-UHFFFAOYSA-N 0 0 312.413 3.454 20 10 DGCDRN CO[C@@H]1CC[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000821033044 628328988 /nfs/dbraw/zinc/32/89/88/628328988.db2.gz KAYJMVMIIFIWON-MAUKXSAKSA-N 0 0 316.445 3.059 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CS[C@H](C)C1 ZINC000840417349 628343761 /nfs/dbraw/zinc/34/37/61/628343761.db2.gz IBPMHDXUQBOFIH-TZMCWYRMSA-N 0 0 308.447 3.208 20 10 DGCDRN OCC[C@@H](NCc1ccc(N2CCCCC2)cc1)C(F)(F)F ZINC000821207685 628346409 /nfs/dbraw/zinc/34/64/09/628346409.db2.gz XMGXSYASWDKJKW-OAHLLOKOSA-N 0 0 316.367 3.080 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1C[C@H](C)O[C@@H]1C ZINC000840432831 628348198 /nfs/dbraw/zinc/34/81/98/628348198.db2.gz HFDDQFBFILCSTI-LZWOXQAQSA-N 0 0 320.433 3.127 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CC23CCSCC3)cc1 ZINC000822265395 628434515 /nfs/dbraw/zinc/43/45/15/628434515.db2.gz PJQDTRZTGHEGTR-INIZCTEOSA-N 0 0 318.486 3.244 20 10 DGCDRN OCCOCc1ccc(NCc2cccc(Cl)c2O)cc1 ZINC000822520709 628460737 /nfs/dbraw/zinc/46/07/37/628460737.db2.gz MPYVQIBVXCCKIW-UHFFFAOYSA-N 0 0 307.777 3.167 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCCC(F)(F)C2)cc1 ZINC000822702985 628482259 /nfs/dbraw/zinc/48/22/59/628482259.db2.gz GYCYAQNDRVNDRG-SNVBAGLBSA-N 0 0 324.331 3.404 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ncccc1F ZINC000822898236 628507527 /nfs/dbraw/zinc/50/75/27/628507527.db2.gz LGAFPFPRARATSM-UHFFFAOYSA-N 0 0 315.392 3.338 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2C[C@H](C3CC3)[C@H]2C2CC2)cc1 ZINC000823376163 628554220 /nfs/dbraw/zinc/55/42/20/628554220.db2.gz CLIXIDGHEKAKMH-HUUCEWRRSA-N 0 0 312.373 3.110 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H](C2CC2)C2CCC2)cc1 ZINC000823494335 628568642 /nfs/dbraw/zinc/56/86/42/628568642.db2.gz PEBABZVBBJOIMZ-CQSZACIVSA-N 0 0 300.362 3.158 20 10 DGCDRN COC[C@@H](C)CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000823849246 628602495 /nfs/dbraw/zinc/60/24/95/628602495.db2.gz GVPUBUDRDFHZNT-AWEZNQCLSA-N 0 0 314.429 3.035 20 10 DGCDRN O=C(C[C@@H]1CC[C@H](C2CC2)O1)NCc1cc(Cl)ccc1O ZINC000823985817 628615999 /nfs/dbraw/zinc/61/59/99/628615999.db2.gz CVOLQRFHTNLDIT-DZGCQCFKSA-N 0 0 309.793 3.010 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[C@H]1C1CC1 ZINC000840484121 628619953 /nfs/dbraw/zinc/61/99/53/628619953.db2.gz MXZBPHIQLJGELQ-KDOFPFPSSA-N 0 0 315.461 3.186 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NOCC1CCC1 ZINC000824056457 628622419 /nfs/dbraw/zinc/62/24/19/628622419.db2.gz VEHJJIFUWNDNPL-UHFFFAOYSA-N 0 0 319.449 3.404 20 10 DGCDRN Cc1c(Cl)cncc1NCc1ccc(N2CCOCC2)cc1 ZINC000824494442 628665047 /nfs/dbraw/zinc/66/50/47/628665047.db2.gz ANVLYMWEBVLHDA-UHFFFAOYSA-N 0 0 317.820 3.492 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000824544254 628668976 /nfs/dbraw/zinc/66/89/76/628668976.db2.gz FSQFWWSPSOZSRQ-DYEKYZERSA-N 0 0 300.362 3.015 20 10 DGCDRN CCOc1ccc(CN2CC(C)(C)[C@@H]2c2nccn2C)c(O)c1 ZINC000824620410 628678235 /nfs/dbraw/zinc/67/82/35/628678235.db2.gz NLNHZNDLFUELPB-INIZCTEOSA-N 0 0 315.417 3.108 20 10 DGCDRN CC(C)=C(C)CC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000824711875 628686346 /nfs/dbraw/zinc/68/63/46/628686346.db2.gz JNPWYCLWDYQRFV-UHFFFAOYSA-N 0 0 316.445 3.010 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000824721720 628687620 /nfs/dbraw/zinc/68/76/20/628687620.db2.gz IFSFWLMHAOSDKQ-HONMWMINSA-N 0 0 313.800 3.310 20 10 DGCDRN Cc1ncsc1CC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000824737488 628688252 /nfs/dbraw/zinc/68/82/52/628688252.db2.gz AXKHQMLMUXUWGH-UHFFFAOYSA-N 0 0 300.786 3.282 20 10 DGCDRN Cc1cc(O)c(CN2CCn3c(nnc3C(C)C)C2)cc1Cl ZINC000824748161 628689566 /nfs/dbraw/zinc/68/95/66/628689566.db2.gz ISIKCORTRZNKTM-UHFFFAOYSA-N 0 0 320.824 3.085 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cc(C(F)(F)F)cnc2C)c1 ZINC000824904734 628704324 /nfs/dbraw/zinc/70/43/24/628704324.db2.gz XPNLWXPOHNZJHV-UHFFFAOYSA-N 0 0 324.302 3.353 20 10 DGCDRN O=C(C1=CC(=O)CS1)N(Cc1ccco1)CC(F)(F)F ZINC000824905871 628704499 /nfs/dbraw/zinc/70/44/99/628704499.db2.gz HFGOKVRBXQLOSZ-UHFFFAOYSA-N 0 0 305.277 3.251 20 10 DGCDRN CCn1ccnc1[C@@H](C)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000825005944 628715426 /nfs/dbraw/zinc/71/54/26/628715426.db2.gz VQKRIGCWUIEXRJ-SECBINFHSA-N 0 0 324.768 3.021 20 10 DGCDRN Cc1cc(O)c(CNc2ccc(N(C)CCO)cc2)cc1Cl ZINC000825003143 628715538 /nfs/dbraw/zinc/71/55/38/628715538.db2.gz PMSHVMOOTAGKCN-UHFFFAOYSA-N 0 0 320.820 3.395 20 10 DGCDRN Cc1ccc(O)c(CN(C)Cc2csc(C(C)(C)O)n2)c1 ZINC000825154039 628733531 /nfs/dbraw/zinc/73/35/31/628733531.db2.gz YGYAPTQLHOCMDD-UHFFFAOYSA-N 0 0 306.431 3.017 20 10 DGCDRN Cc1cc(O)c(CN(C)Cc2ncc(Cl)n2C)cc1Cl ZINC000825447501 628762554 /nfs/dbraw/zinc/76/25/54/628762554.db2.gz VLJYCZNHSFZGCI-UHFFFAOYSA-N 0 0 314.216 3.373 20 10 DGCDRN C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccc(N(C)C)cc1 ZINC000825473059 628764663 /nfs/dbraw/zinc/76/46/63/628764663.db2.gz MWGQGVINSSJJPT-IICXIOTHSA-N 0 0 317.433 3.077 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1ccc(O)c(F)c1 ZINC000825678913 628784929 /nfs/dbraw/zinc/78/49/29/628784929.db2.gz KHSUTLZNOFUBMM-UHFFFAOYSA-N 0 0 317.360 3.218 20 10 DGCDRN Cc1cc(O)c(CNCc2nccc(C(F)F)n2)cc1Cl ZINC000825940287 628812043 /nfs/dbraw/zinc/81/20/43/628812043.db2.gz RTOWVARGEWZBON-UHFFFAOYSA-N 0 0 313.735 3.371 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N[C@@H]3CC[C@H]4C[C@H]4C3)ccc21 ZINC000826019517 628820374 /nfs/dbraw/zinc/82/03/74/628820374.db2.gz HNOZNRQWDSHBKF-BHYGNILZSA-N 0 0 313.445 3.057 20 10 DGCDRN COc1cc(CN(C2CC2)C2COC2)c(O)c(C(C)(C)C)c1 ZINC000826030305 628821624 /nfs/dbraw/zinc/82/16/24/628821624.db2.gz WDAWDTSWYCTRPB-UHFFFAOYSA-N 0 0 305.418 3.062 20 10 DGCDRN Oc1cc(Br)ccc1CN1CC2(CC(F)C2)C1 ZINC000826114141 628829504 /nfs/dbraw/zinc/82/95/04/628829504.db2.gz VNZGCTBUZCHTQE-UHFFFAOYSA-N 0 0 300.171 3.089 20 10 DGCDRN CCCC[C@](C)(CO)[NH2+]Cc1cccc(Br)c1[O-] ZINC000842745748 628832962 /nfs/dbraw/zinc/83/29/62/628832962.db2.gz FUTYHBWHQREBHA-CQSZACIVSA-N 0 0 316.239 3.186 20 10 DGCDRN Cc1cc(O)c(CNc2cccc(-c3nn[nH]n3)c2C)cc1C ZINC000826271796 628838017 /nfs/dbraw/zinc/83/80/17/628838017.db2.gz HTOIHIBPPRDFOM-UHFFFAOYSA-N 0 0 309.373 3.110 20 10 DGCDRN CCN(CCSC)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000826530432 628856618 /nfs/dbraw/zinc/85/66/18/628856618.db2.gz FWFNNRUDGIVALC-ZDUSSCGKSA-N 0 0 309.479 3.208 20 10 DGCDRN CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000826791201 628887646 /nfs/dbraw/zinc/88/76/46/628887646.db2.gz TWXHBIUJRVOVPQ-GFCCVEGCSA-N 0 0 300.805 3.147 20 10 DGCDRN C/C(=C\C(=O)N1C[C@@H](C)Oc2cc(C)ccc21)c1cnccn1 ZINC000826836860 628893208 /nfs/dbraw/zinc/89/32/08/628893208.db2.gz LLUFZLUWRUFOLK-KADHNRKRSA-N 0 0 309.369 3.002 20 10 DGCDRN CC(C)(C)N1CC[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000826867948 628897588 /nfs/dbraw/zinc/89/75/88/628897588.db2.gz NOYKSSCZRVPQAZ-GFCCVEGCSA-N 0 0 300.805 3.147 20 10 DGCDRN COC[C@@H]([NH2+]Cc1cccc(F)c1[O-])c1cccc(OC)c1 ZINC000827011691 628912595 /nfs/dbraw/zinc/91/25/95/628912595.db2.gz LYTMOFGDEYQDJL-MRXNPFEDSA-N 0 0 305.349 3.017 20 10 DGCDRN COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H](O)c3ccccc32)c1O ZINC000827179388 628932635 /nfs/dbraw/zinc/93/26/35/628932635.db2.gz WLPYBWTVORZCEQ-HUUCEWRRSA-N 0 0 319.788 3.322 20 10 DGCDRN C[C@@]12COC[C@@H]1C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC000827284697 628945602 /nfs/dbraw/zinc/94/56/02/628945602.db2.gz VMMCUPDCULMQCR-IINYFYTJSA-N 0 0 302.201 3.167 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(N)c(C)c2)cc1 ZINC000827340480 628950667 /nfs/dbraw/zinc/95/06/67/628950667.db2.gz BRVSZGAJRJZXOV-UHFFFAOYSA-N 0 0 311.429 3.353 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1CCOc2ccc(O)cc2C1 ZINC000827657816 628980476 /nfs/dbraw/zinc/98/04/76/628980476.db2.gz QZJIJXORMPKGSO-UHFFFAOYSA-N 0 0 312.413 3.161 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@]1(C)CO ZINC000827699458 628983783 /nfs/dbraw/zinc/98/37/83/628983783.db2.gz HQHNBKZJAYBOKB-OTYXRUKQSA-N 0 0 304.217 3.149 20 10 DGCDRN C[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@]1(C)CO ZINC000827699457 628983996 /nfs/dbraw/zinc/98/39/96/628983996.db2.gz HQHNBKZJAYBOKB-LKFCYVNXSA-N 0 0 304.217 3.149 20 10 DGCDRN Cc1nnc(CN(C)C/C=C\c2ccc(N(C)C)cc2)s1 ZINC000827806632 628993146 /nfs/dbraw/zinc/99/31/46/628993146.db2.gz UMONQZMWMIESHM-WAYWQWQTSA-N 0 0 302.447 3.058 20 10 DGCDRN CN(Cc1ccccc1O)c1nc(Cl)nc2c1COC2(C)C ZINC000827829088 628995431 /nfs/dbraw/zinc/99/54/31/628995431.db2.gz JCDPHBBPVYJSAP-UHFFFAOYSA-N 0 0 319.792 3.237 20 10 DGCDRN CCN(Cc1ccc([N+](=O)[O-])c(OC)c1O)c1cccc(O)c1 ZINC000827909896 629002668 /nfs/dbraw/zinc/00/26/68/629002668.db2.gz YTFYFKDBUWRYBT-UHFFFAOYSA-N 0 0 318.329 3.041 20 10 DGCDRN C[C@@H](NC(=O)c1cccc(NC(=O)C2CC2)c1)c1ccccc1O ZINC000827922901 629003806 /nfs/dbraw/zinc/00/38/06/629003806.db2.gz CRQCQGXOJJTFDO-GFCCVEGCSA-N 0 0 324.380 3.232 20 10 DGCDRN C[C@@H](NC(=O)[C@@H](C)Sc1ccccn1)c1ccccc1O ZINC000827936900 629005620 /nfs/dbraw/zinc/00/56/20/629005620.db2.gz FZCLPWMQTBNXDI-VXGBXAGGSA-N 0 0 302.399 3.145 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)c2ccccc2O)nn1[C@H](C)C1CC1 ZINC000827941891 629005849 /nfs/dbraw/zinc/00/58/49/629005849.db2.gz ZKZWTIKCYXSIOD-CHWSQXEVSA-N 0 0 313.401 3.359 20 10 DGCDRN Cc1ccc([C@H](C)[C@H](O)C(=O)N[C@H](C)c2ccccc2O)cc1 ZINC000827941319 629005851 /nfs/dbraw/zinc/00/58/51/629005851.db2.gz QFNBNZCUQTWZIP-IYOUNJFTSA-N 0 0 313.397 3.042 20 10 DGCDRN CCc1c(C(=O)N[C@H](C)c2ccccc2O)cnn1CC(C)C ZINC000827940367 629006011 /nfs/dbraw/zinc/00/60/11/629006011.db2.gz CCUDVVXXPLPEKQ-CYBMUJFWSA-N 0 0 315.417 3.298 20 10 DGCDRN COc1cccc(CCC(=O)N[C@H](C)c2ccccc2O)c1F ZINC000827946410 629006668 /nfs/dbraw/zinc/00/66/68/629006668.db2.gz HBMGCHQJBFURLU-GFCCVEGCSA-N 0 0 317.360 3.350 20 10 DGCDRN C[C@@H](NC(=O)C[C@H](C)N1CCc2ccccc21)c1ccccc1O ZINC000827952334 629007030 /nfs/dbraw/zinc/00/70/30/629007030.db2.gz OILSHOTUOWQUOF-LSDHHAIUSA-N 0 0 324.424 3.411 20 10 DGCDRN COc1ccc2c(c1)CC[C@@H]2C(=O)N[C@@H](C)c1ccccc1O ZINC000827956592 629007554 /nfs/dbraw/zinc/00/75/54/629007554.db2.gz NLWARPBJEGBQAH-SJCJKPOMSA-N 0 0 311.381 3.308 20 10 DGCDRN C[C@H](NC(=O)c1c(Cl)n[nH]c1C1CC1)c1ccccc1O ZINC000827956512 629007570 /nfs/dbraw/zinc/00/75/70/629007570.db2.gz MSDQETGBDCEWJM-QMMMGPOBSA-N 0 0 305.765 3.137 20 10 DGCDRN C[C@H](NC(=O)c1cnn(CC2CCCC2)c1)c1ccccc1O ZINC000827957776 629008134 /nfs/dbraw/zinc/00/81/34/629008134.db2.gz YVCJQAXOWHAFRU-ZDUSSCGKSA-N 0 0 313.401 3.270 20 10 DGCDRN C[C@H](NC(=O)c1ccc2c(c1)CCCC2=O)c1ccccc1O ZINC000827964250 629008778 /nfs/dbraw/zinc/00/87/78/629008778.db2.gz JGTQXGGJDSSJIL-LBPRGKRZSA-N 0 0 309.365 3.402 20 10 DGCDRN CC[C@@H](C)n1nc(C(=O)N[C@@H](C)c2ccccc2O)cc1C ZINC000827968993 629009255 /nfs/dbraw/zinc/00/92/55/629009255.db2.gz DQNCCVDBDARFDE-YPMHNXCESA-N 0 0 301.390 3.359 20 10 DGCDRN C[C@H](NC(=O)c1csc([C@H]2CCCO2)n1)c1ccccc1O ZINC000827972873 629009760 /nfs/dbraw/zinc/00/97/60/629009760.db2.gz BSCFJCIGFQEXAD-IINYFYTJSA-N 0 0 318.398 3.191 20 10 DGCDRN CC(C)c1ncc(Cl)c(C(=O)N[C@@H](C)c2ccccc2O)n1 ZINC000827978470 629010344 /nfs/dbraw/zinc/01/03/44/629010344.db2.gz URTRQSFBXWUMNR-JTQLQIEISA-N 0 0 319.792 3.450 20 10 DGCDRN Cc1c(C(=O)N[C@@H](C)c2ccccc2O)cnn1CCC(C)C ZINC000827973686 629010409 /nfs/dbraw/zinc/01/04/09/629010409.db2.gz WNPIGFPWBAMOGH-ZDUSSCGKSA-N 0 0 315.417 3.434 20 10 DGCDRN C[C@H](c1ccccc1)[C@@](C)(O)C(=O)N[C@@H](C)c1ccccc1O ZINC000827973419 629010549 /nfs/dbraw/zinc/01/05/49/629010549.db2.gz OYRSUZGSENLSFC-BIENJYKASA-N 0 0 313.397 3.124 20 10 DGCDRN Cc1nn(C(C)(C)C)c(C)c1C(=O)N[C@@H](C)c1ccccc1O ZINC000827982504 629010889 /nfs/dbraw/zinc/01/08/89/629010889.db2.gz WNURLWNQNYFHPO-NSHDSACASA-N 0 0 315.417 3.452 20 10 DGCDRN Cc1cc(C)n([C@@H](C)CC(=O)N[C@@H](C)c2ccccc2O)n1 ZINC000827981960 629010944 /nfs/dbraw/zinc/01/09/44/629010944.db2.gz JEBWVANKROJQFJ-KBPBESRZSA-N 0 0 301.390 3.034 20 10 DGCDRN C[C@H](NC(=O)C1C[C@H]2CCCC[C@@H](C1)C2=O)c1ccccc1O ZINC000827985026 629011475 /nfs/dbraw/zinc/01/14/75/629011475.db2.gz HCBOGDWAFCJSLQ-RDGKXADDSA-N 0 0 315.413 3.355 20 10 DGCDRN CC(C)CC(=O)CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000828062554 629019555 /nfs/dbraw/zinc/01/95/55/629019555.db2.gz KGAMPULNKYQARX-SFHVURJKSA-N 0 0 319.445 3.379 20 10 DGCDRN COc1ccc(N(CC(C)C)C[C@H]2CCNC(=O)CC2)cc1 ZINC000828206065 629033049 /nfs/dbraw/zinc/03/30/49/629033049.db2.gz OUENDWKREDILNQ-OAHLLOKOSA-N 0 0 304.434 3.074 20 10 DGCDRN C[C@H](NC(=O)C[C@@H]1CC(=O)Nc2ccccc21)c1ccccc1O ZINC000828539390 629064273 /nfs/dbraw/zinc/06/42/73/629064273.db2.gz OQYLIPIJXGPYDO-QWHCGFSZSA-N 0 0 324.380 3.086 20 10 DGCDRN Cc1cc(C(=O)CN2[C@@H](C)C[C@@H]2C)c(C)n1-c1ccc(F)cn1 ZINC000829335278 629150669 /nfs/dbraw/zinc/15/06/69/629150669.db2.gz DWWRWJRUOVTJBN-RYUDHWBXSA-N 0 0 315.392 3.294 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)C[C@@H](C)[C@@H]1CCCO1 ZINC000830141338 629229677 /nfs/dbraw/zinc/22/96/77/629229677.db2.gz RENAMLZQJHNNLM-PBHICJAKSA-N 0 0 305.418 3.336 20 10 DGCDRN COCc1csc(C(=O)N[C@H](C)c2cc(OC)ccc2O)c1 ZINC000830540234 629281923 /nfs/dbraw/zinc/28/19/23/629281923.db2.gz HNJNRGYGRXFRQV-SNVBAGLBSA-N 0 0 321.398 3.100 20 10 DGCDRN CC(C(=O)NCc1cccc(Br)c1O)=C1CCC1 ZINC000831158063 629344507 /nfs/dbraw/zinc/34/45/07/629344507.db2.gz DAKVDFKCPIKZNG-UHFFFAOYSA-N 0 0 310.191 3.271 20 10 DGCDRN COc1ccc(N(CCOCC(F)(F)F)CC2CC2)cc1 ZINC000831582632 629393365 /nfs/dbraw/zinc/39/33/65/629393365.db2.gz AOPCRBKBVUNUBW-UHFFFAOYSA-N 0 0 303.324 3.491 20 10 DGCDRN COc1ccc(N(CCCc2nc(C)no2)CC2CC2)cc1 ZINC000831588260 629394257 /nfs/dbraw/zinc/39/42/57/629394257.db2.gz VAXIKAWTOSIQJS-UHFFFAOYSA-N 0 0 301.390 3.236 20 10 DGCDRN C[C@@H](NC(=O)Cc1ccncc1Cl)c1ccc(N(C)C)cc1 ZINC000832430489 629479242 /nfs/dbraw/zinc/47/92/42/629479242.db2.gz FHQUMZNTLPHUGV-GFCCVEGCSA-N 0 0 317.820 3.221 20 10 DGCDRN C[C@@H](NC(=O)Cc1cc(C2CC2)no1)c1ccc(N(C)C)cc1 ZINC000832431740 629479443 /nfs/dbraw/zinc/47/94/43/629479443.db2.gz TWTGUXXQUQACLE-GFCCVEGCSA-N 0 0 313.401 3.038 20 10 DGCDRN Cc1ccn([C@@H](C)CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000832437106 629480130 /nfs/dbraw/zinc/48/01/30/629480130.db2.gz XDEHZOYEBIKRGY-GJZGRUSLSA-N 0 0 314.433 3.086 20 10 DGCDRN C[C@@H](Cc1ccco1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000832437279 629480390 /nfs/dbraw/zinc/48/03/90/629480390.db2.gz YPKIBGPDXZRLBI-KBPBESRZSA-N 0 0 300.402 3.402 20 10 DGCDRN Cc1cc(C[N@@H+]2CCC[C@H]2CC(=O)[O-])c(O)c(C(C)(C)C)c1 ZINC000832882289 629527412 /nfs/dbraw/zinc/52/74/12/629527412.db2.gz CDSWAZRMBUUTFF-AWEZNQCLSA-N 0 0 305.418 3.437 20 10 DGCDRN C[C@]1(C(=O)[O-])CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000833553397 629620391 /nfs/dbraw/zinc/62/03/91/629620391.db2.gz CVULVPZDFIZPSF-IBGZPJMESA-N 0 0 311.381 3.356 20 10 DGCDRN COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC000833733812 629644099 /nfs/dbraw/zinc/64/40/99/629644099.db2.gz RIDQRZUBHPJOPE-UWVGGRQHSA-N 0 0 305.330 3.104 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NCCC[C@@H]2C=CCC2)cc1 ZINC000834317160 629690581 /nfs/dbraw/zinc/69/05/81/629690581.db2.gz KSUWLWYJUSVFEA-GFCCVEGCSA-N 0 0 300.362 3.325 20 10 DGCDRN COc1cc(C)ccc1/C=C1\SC(N2CCCCC2)=NC1=O ZINC000834408986 629706551 /nfs/dbraw/zinc/70/65/51/629706551.db2.gz PIBSTADXZLWHNA-PTNGSMBKSA-N 0 0 316.426 3.460 20 10 DGCDRN CCc1[nH]nc(NCc2cc(C)ccc2O)c1Br ZINC000834475095 629714987 /nfs/dbraw/zinc/71/49/87/629714987.db2.gz LBQOURDSJSYLKU-UHFFFAOYSA-N 0 0 310.195 3.361 20 10 DGCDRN C[C@@H]([NH2+]CC[C@H](C)CCO)c1cccc(C(F)(F)F)c1[O-] ZINC000834829949 629786458 /nfs/dbraw/zinc/78/64/58/629786458.db2.gz AGIJUFUEFBIGSR-WDEREUQCSA-N 0 0 305.340 3.470 20 10 DGCDRN CC(C)c1nnc(CN[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)[nH]1 ZINC000834871151 629794259 /nfs/dbraw/zinc/79/42/59/629794259.db2.gz MBBOYADVMIVEOT-MWLCHTKSSA-N 0 0 304.369 3.111 20 10 DGCDRN C[C@@H]([NH2+]CC1(CF)CCOCC1)c1cc(F)cc(F)c1[O-] ZINC000834886641 629797814 /nfs/dbraw/zinc/79/78/14/629797814.db2.gz UXPBIPZXKCCLFY-SNVBAGLBSA-N 0 0 303.324 3.087 20 10 DGCDRN Cc1ccc([C@@H](C)Nc2ccc(O[C@H]3CC(=O)N3)cc2)c(O)c1 ZINC000834898919 629802050 /nfs/dbraw/zinc/80/20/50/629802050.db2.gz SSFIXYKARJVKFA-XIKOKIGWSA-N 0 0 312.369 3.099 20 10 DGCDRN Cc1ccc([C@H](C)Nc2ccc(O[C@@H]3CC(=O)N3)cc2)c(O)c1 ZINC000834898914 629802070 /nfs/dbraw/zinc/80/20/70/629802070.db2.gz SSFIXYKARJVKFA-KPZWWZAWSA-N 0 0 312.369 3.099 20 10 DGCDRN CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000834903228 629803790 /nfs/dbraw/zinc/80/37/90/629803790.db2.gz GOWPRQOZCQJJGL-XXILOJSOSA-N 0 0 320.216 3.154 20 10 DGCDRN C[C@H]([NH2+]C[C@H](O)C1CCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000834906677 629804736 /nfs/dbraw/zinc/80/47/36/629804736.db2.gz RTMNJWGRXZEFAJ-ZANVPECISA-N 0 0 303.324 3.223 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000834907555 629806233 /nfs/dbraw/zinc/80/62/33/629806233.db2.gz WNLZAQQURBQKHG-XHNCKOQMSA-N 0 0 317.216 3.004 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCC2CC(F)(F)C2)c1 ZINC000834909761 629806848 /nfs/dbraw/zinc/80/68/48/629806848.db2.gz TZRIWLNTUONYJN-JTQLQIEISA-N 0 0 313.344 3.265 20 10 DGCDRN CN(C)c1ccc(/C=C\CNc2ccn(CC(F)F)n2)cc1 ZINC000835042890 629833051 /nfs/dbraw/zinc/83/30/51/629833051.db2.gz LEGNSWQXISKCAR-ARJAWSKDSA-N 0 0 306.360 3.340 20 10 DGCDRN Cc1nnc([C@@H](C)NC/C=C/c2ccc(N(C)C)cc2)s1 ZINC000835046928 629834944 /nfs/dbraw/zinc/83/49/44/629834944.db2.gz AJKMQVVFLJPBNW-BTDICHCPSA-N 0 0 302.447 3.277 20 10 DGCDRN CN(C)c1ccc(/C=C\CN2CCOC[C@@H]2CC(F)F)cc1 ZINC000835053549 629837515 /nfs/dbraw/zinc/83/75/15/629837515.db2.gz NWKVJINSAHYGNP-QGZUEGPWSA-N 0 0 310.388 3.122 20 10 DGCDRN COc1ccc(-n2c(C)cc(C(=O)Nc3ccnn3C)c2C)cc1 ZINC000102347079 630075406 /nfs/dbraw/zinc/07/54/06/630075406.db2.gz BWIBJQRGVSVGST-UHFFFAOYSA-N 0 0 324.384 3.089 20 10 DGCDRN COC1(CCNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC000836405248 630110310 /nfs/dbraw/zinc/11/03/10/630110310.db2.gz ATXXGGPARVYHNA-CQSZACIVSA-N 0 0 319.449 3.072 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cncnc2C2CC2)cc1 ZINC000836417381 630111895 /nfs/dbraw/zinc/11/18/95/630111895.db2.gz HRZMTJXMXFLGJK-UHFFFAOYSA-N 0 0 324.428 3.130 20 10 DGCDRN COc1ccc(CNC(=O)NCCC(C)(C)C2CC2)c(O)c1 ZINC000836496503 630122178 /nfs/dbraw/zinc/12/21/78/630122178.db2.gz ZCKZGYZVMCONCH-UHFFFAOYSA-N 0 0 306.406 3.026 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCCCC(C)(F)F)cc1F ZINC000836504713 630124112 /nfs/dbraw/zinc/12/41/12/630124112.db2.gz XTQBGCZSIDKLEQ-UHFFFAOYSA-N 0 0 317.355 3.126 20 10 DGCDRN CCc1ccc(N(CC2CC2)C(=O)/C=C\c2cnccn2)cc1 ZINC000836835037 630170408 /nfs/dbraw/zinc/17/04/08/630170408.db2.gz JEHDCVNRQCRMON-YFHOEESVSA-N 0 0 307.397 3.495 20 10 DGCDRN CC[C@@H](NC(=O)c1sccc1-n1c(C)ccc1C)[C@@H](C)O ZINC000836860824 630175610 /nfs/dbraw/zinc/17/56/10/630175610.db2.gz NMLKUPLNQSSAOT-CHWSQXEVSA-N 0 0 306.431 3.045 20 10 DGCDRN CCC1(CNC(=O)c2sccc2-n2c(C)ccc2C)COC1 ZINC000836989985 630198090 /nfs/dbraw/zinc/19/80/90/630198090.db2.gz OUHOJRMRQOGBRF-UHFFFAOYSA-N 0 0 318.442 3.312 20 10 DGCDRN C[C@@H](CC(F)(F)F)C(=O)NCCCSc1nccs1 ZINC000837415114 630255381 /nfs/dbraw/zinc/25/53/81/630255381.db2.gz WDIXBPIMEMEHBP-QMMMGPOBSA-N 0 0 312.382 3.330 20 10 DGCDRN C[C@@]1(COC(=O)/C=C/c2ccc(O)c(O)c2)CC1(Cl)Cl ZINC000837588641 630280663 /nfs/dbraw/zinc/28/06/63/630280663.db2.gz SQINNUYPKOUOTP-LQPUYASZSA-N 0 0 317.168 3.238 20 10 DGCDRN C[C@]1(COC(=O)/C=C/c2ccc(O)c(O)c2)CC1(Cl)Cl ZINC000837588642 630280721 /nfs/dbraw/zinc/28/07/21/630280721.db2.gz SQINNUYPKOUOTP-MASHWEEQSA-N 0 0 317.168 3.238 20 10 DGCDRN CC(C)C1(NC(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000837626777 630289959 /nfs/dbraw/zinc/28/99/59/630289959.db2.gz LYCDNRUMRSUCLF-UHFFFAOYSA-N 0 0 301.434 3.275 20 10 DGCDRN C[C@H](C(=O)NCc1cc(Br)ccc1O)C1CCC1 ZINC000837643763 630291651 /nfs/dbraw/zinc/29/16/51/630291651.db2.gz QYPAJXNAIBANES-VIFPVBQESA-N 0 0 312.207 3.207 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2C2CCC2)cc1 ZINC000102902077 630306652 /nfs/dbraw/zinc/30/66/52/630306652.db2.gz MZXOMZMBPZWDLD-QGZVFWFLSA-N 0 0 301.434 3.227 20 10 DGCDRN CCOc1cccc([C@@H]2NC(C)(C)C(=O)N2CC(C)(C)C)c1O ZINC000840827555 630363084 /nfs/dbraw/zinc/36/30/84/630363084.db2.gz IVFJPDWCAMXBBA-OAHLLOKOSA-N 0 0 320.433 3.046 20 10 DGCDRN Cc1cc(O)c([C@@H]2NC3(CC3)C(=O)N2c2ccccc2)cc1C ZINC000840831044 630363763 /nfs/dbraw/zinc/36/37/63/630363763.db2.gz ZHUPIRBUYHMMMP-QGZVFWFLSA-N 0 0 308.381 3.177 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)[C@@](C)(OC)C2CC2)c1 ZINC000840860510 630368418 /nfs/dbraw/zinc/36/84/18/630368418.db2.gz NYYNPTMJLDNRMS-OAVHHTNSSA-N 0 0 321.417 3.033 20 10 DGCDRN Cc1cc(O)c(CNc2cnn(CC(F)F)c2)c(Cl)c1 ZINC000840905807 630375903 /nfs/dbraw/zinc/37/59/03/630375903.db2.gz AYIMYQBBHSAYSW-UHFFFAOYSA-N 0 0 301.724 3.428 20 10 DGCDRN COc1ccc(N2CCC[N@H+](Cc3ccoc3C)CC2)cc1 ZINC000840911776 630376746 /nfs/dbraw/zinc/37/67/46/630376746.db2.gz QKZJBRDHBYENIO-UHFFFAOYSA-N 0 0 300.402 3.309 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ccc2c(c1)N(C(N)=O)CC2 ZINC000840941365 630381153 /nfs/dbraw/zinc/38/11/53/630381153.db2.gz XZWZTGLFOHPVCL-UHFFFAOYSA-N 0 0 324.428 3.114 20 10 DGCDRN COc1c([O-])c(C[NH2+]C[C@@H]2CCC[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000840954821 630384063 /nfs/dbraw/zinc/38/40/63/630384063.db2.gz OQQTYWXDTGRUEQ-GXTWGEPZSA-N 0 0 320.389 3.225 20 10 DGCDRN COCC1CCC([NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000840963029 630387583 /nfs/dbraw/zinc/38/75/83/630387583.db2.gz POYQJSSYXNSNMD-UHFFFAOYSA-N 0 0 301.789 3.480 20 10 DGCDRN C[C@H]([NH2+]Cc1cccc(Br)c1[O-])[C@H]1CC1(F)F ZINC000840967876 630388305 /nfs/dbraw/zinc/38/83/05/630388305.db2.gz KNGVXQUYWXSXBA-IONNQARKSA-N 0 0 306.150 3.288 20 10 DGCDRN COC1([C@@H](C)[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCC1 ZINC000840970004 630388779 /nfs/dbraw/zinc/38/87/79/630388779.db2.gz OBYLWNBVWUMHDX-SECBINFHSA-N 0 0 314.769 3.001 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)cc1F ZINC000840995766 630392382 /nfs/dbraw/zinc/39/23/82/630392382.db2.gz TZVNTGMRVLJLIT-AWEZNQCLSA-N 0 0 322.424 3.359 20 10 DGCDRN CCCN(CCC)c1ccc(C[N@@H+]2CCC[C@@H]2C(=O)[O-])cc1 ZINC000840995725 630392514 /nfs/dbraw/zinc/39/25/14/630392514.db2.gz OCAFZQIKFWXRRW-QGZVFWFLSA-N 0 0 304.434 3.362 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(F)ccc2C)c1 ZINC000104124928 630399297 /nfs/dbraw/zinc/39/92/97/630399297.db2.gz IYCOVDQQRQZHQC-LLVKDONJSA-N 0 0 303.333 3.339 20 10 DGCDRN c1cc(N2CCOCC2)ccc1CNc1ccc2c(c1)CCCN2 ZINC000841034404 630399901 /nfs/dbraw/zinc/39/99/01/630399901.db2.gz AEUQMFMXHIEGDZ-UHFFFAOYSA-N 0 0 323.440 3.493 20 10 DGCDRN CC(C)c1ccc([C@H](N)C[NH2+]Cc2cccc(F)c2[O-])cc1 ZINC000841036782 630400024 /nfs/dbraw/zinc/40/00/24/630400024.db2.gz MKMOKJDKDATFDP-QGZVFWFLSA-N 0 0 302.393 3.444 20 10 DGCDRN Nc1ccc(CCNC(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000841084180 630405970 /nfs/dbraw/zinc/40/59/70/630405970.db2.gz IGVHOOLATPLYDA-UHFFFAOYSA-N 0 0 324.428 3.233 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000841105261 630408545 /nfs/dbraw/zinc/40/85/45/630408545.db2.gz DOYILXSAFCVFAP-AWEZNQCLSA-N 0 0 301.217 3.027 20 10 DGCDRN CC[C@@H](C)n1ncc(NC(=O)NCCc2ccc(N)cc2)c1C ZINC000841214446 630416843 /nfs/dbraw/zinc/41/68/43/630416843.db2.gz KSMODFKLYMTPMN-GFCCVEGCSA-N 0 0 315.421 3.109 20 10 DGCDRN COCC[C@H](NC(=O)Nc1ccc(N)cc1)c1ccc(C)o1 ZINC000841295534 630424138 /nfs/dbraw/zinc/42/41/38/630424138.db2.gz AJAKKMBUQXDEIY-AWEZNQCLSA-N 0 0 303.362 3.070 20 10 DGCDRN Nc1ccc(NC(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000841296144 630424177 /nfs/dbraw/zinc/42/41/77/630424177.db2.gz PCYDKNVWQSAMJJ-SJORKVTESA-N 0 0 311.385 3.311 20 10 DGCDRN CN(C[C@H]1OCCc2ccccc21)C(=O)Nc1ccc(N)cc1 ZINC000841298941 630424514 /nfs/dbraw/zinc/42/45/14/630424514.db2.gz VBJYOYZSPVHLRN-QGZVFWFLSA-N 0 0 311.385 3.047 20 10 DGCDRN COc1cccc(C(C)(C)CNC(=O)Nc2ccc(N)cc2)c1 ZINC000841298529 630424559 /nfs/dbraw/zinc/42/45/59/630424559.db2.gz QPNHLBBOUYOSPE-UHFFFAOYSA-N 0 0 313.401 3.377 20 10 DGCDRN CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)Nc1ccc(N)cc1 ZINC000841299218 630425004 /nfs/dbraw/zinc/42/50/04/630425004.db2.gz XBHRGWAFHXSSNJ-HUUCEWRRSA-N 0 0 305.422 3.326 20 10 DGCDRN CN1CCC[C@H](NC(=O)Nc2ccc(N)cc2)c2ccccc21 ZINC000841299227 630425056 /nfs/dbraw/zinc/42/50/56/630425056.db2.gz XFIGUGHYEHAXAZ-INIZCTEOSA-N 0 0 310.401 3.362 20 10 DGCDRN Nc1ccc(NC(=O)NC2CCN(c3ccccc3)CC2)cc1 ZINC000841301794 630425620 /nfs/dbraw/zinc/42/56/20/630425620.db2.gz ZKCKEEQLBBNRIQ-UHFFFAOYSA-N 0 0 310.401 3.059 20 10 DGCDRN CC(C)COC[C@H](NC(=O)Nc1ccc(N)cc1)c1ccco1 ZINC000841301567 630425685 /nfs/dbraw/zinc/42/56/85/630425685.db2.gz UXCROESWTACBDN-HNNXBMFYSA-N 0 0 317.389 3.397 20 10 DGCDRN Cc1ccc(N)cc1NC(=O)NCCCSc1nccs1 ZINC000841315713 630427347 /nfs/dbraw/zinc/42/73/47/630427347.db2.gz LVHRTVYSCNYQEE-UHFFFAOYSA-N 0 0 322.459 3.338 20 10 DGCDRN CC[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000121506079 630433428 /nfs/dbraw/zinc/43/34/28/630433428.db2.gz HQXVMYYWOHAXKK-SJLPKXTDSA-N 0 0 313.445 3.441 20 10 DGCDRN CC(=O)N(C)c1ccc(NCc2c(O)cc(C)cc2Cl)cn1 ZINC000841505243 630443124 /nfs/dbraw/zinc/44/31/24/630443124.db2.gz FVLQWABADTZOKS-UHFFFAOYSA-N 0 0 319.792 3.344 20 10 DGCDRN C[C@@H]1[C@H](C)CN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@H]1C ZINC000841580834 630446236 /nfs/dbraw/zinc/44/62/36/630446236.db2.gz LRUYVVRLWKMQER-OAGGEKHMSA-N 0 0 313.445 3.249 20 10 DGCDRN Nc1ccc(CCNC(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC000841666348 630452779 /nfs/dbraw/zinc/45/27/79/630452779.db2.gz AAILPXGBNCUTNH-XYJFISCASA-N 0 0 315.461 3.469 20 10 DGCDRN Cc1ncc2c(n1)CC[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])C2 ZINC000841745734 630461582 /nfs/dbraw/zinc/46/15/82/630461582.db2.gz SMXUNQUEEVZZFQ-QMTHXVAHSA-N 0 0 317.820 3.352 20 10 DGCDRN C[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccc(Cl)cc1[O-] ZINC000841746146 630461640 /nfs/dbraw/zinc/46/16/40/630461640.db2.gz CSXVNBVQGIAKGK-JTQLQIEISA-N 0 0 318.795 3.426 20 10 DGCDRN CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000841751792 630462474 /nfs/dbraw/zinc/46/24/74/630462474.db2.gz JZXXVIURDXBXCQ-WZRBSPASSA-N 0 0 311.809 3.428 20 10 DGCDRN CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000841751791 630462480 /nfs/dbraw/zinc/46/24/80/630462480.db2.gz JZXXVIURDXBXCQ-LOWVWBTDSA-N 0 0 311.809 3.428 20 10 DGCDRN C[C@@H]([NH2+]CC1(CF)CCOCC1)c1ccc(Cl)cc1[O-] ZINC000841757129 630462860 /nfs/dbraw/zinc/46/28/60/630462860.db2.gz MJIYPOFYPUPEQP-LLVKDONJSA-N 0 0 301.789 3.463 20 10 DGCDRN C[C@H]([NH2+][C@H](CO)CC1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000841759916 630462933 /nfs/dbraw/zinc/46/29/33/630462933.db2.gz BBPDRZFGIWEPEF-JSGCOSHPSA-N 0 0 322.405 3.282 20 10 DGCDRN CC[C@@H](NC(=O)NCCc1ccc(N)cc1)C1CCCCC1 ZINC000841774507 630464337 /nfs/dbraw/zinc/46/43/37/630464337.db2.gz DWBJTMHZCBMYBN-QGZVFWFLSA-N 0 0 303.450 3.469 20 10 DGCDRN CCC[C@@H](NC(=O)NCCc1ccc(N)cc1)c1ccccn1 ZINC000841788260 630465076 /nfs/dbraw/zinc/46/50/76/630465076.db2.gz FVXSKLXBUWPTKU-QGZVFWFLSA-N 0 0 312.417 3.047 20 10 DGCDRN CC(C)[C@@H]1CCCC[C@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841787522 630465114 /nfs/dbraw/zinc/46/51/14/630465114.db2.gz CXAXRNSMCHDQQL-DLBZAZTESA-N 0 0 303.450 3.325 20 10 DGCDRN CC(C)[C@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841787525 630465132 /nfs/dbraw/zinc/46/51/32/630465132.db2.gz CXAXRNSMCHDQQL-SJORKVTESA-N 0 0 303.450 3.325 20 10 DGCDRN CCC[C@@H](CCCC[NH2+]Cc1ccc2c(c1)CCO2)C(=O)[O-] ZINC000841816425 630468008 /nfs/dbraw/zinc/46/80/08/630468008.db2.gz UNAIRAUFFVESFE-HNNXBMFYSA-N 0 0 305.418 3.382 20 10 DGCDRN Nc1ccc(CCNC(=O)NCCCCC2CCCC2)cc1 ZINC000841844637 630471166 /nfs/dbraw/zinc/47/11/66/630471166.db2.gz GPXKRWXTAKDIRC-UHFFFAOYSA-N 0 0 303.450 3.471 20 10 DGCDRN CCS[C@@H]1CCCC[C@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841855468 630471395 /nfs/dbraw/zinc/47/13/95/630471395.db2.gz PBTJABCBSPOXRM-HZPDHXFCSA-N 0 0 321.490 3.175 20 10 DGCDRN Cc1cc([C@@H](C)NC(=O)NCCc2ccc(N)cc2)ccc1F ZINC000841855094 630471709 /nfs/dbraw/zinc/47/17/09/630471709.db2.gz MCOTYFSPGWGBLY-CYBMUJFWSA-N 0 0 315.392 3.319 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]Cc2cncn2CC)cc1F ZINC000841862677 630472055 /nfs/dbraw/zinc/47/20/55/630472055.db2.gz CZEBSSQHOJTRQX-UHFFFAOYSA-N 0 0 304.413 3.178 20 10 DGCDRN CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@H]1CC1(C)C ZINC000841890738 630473539 /nfs/dbraw/zinc/47/35/39/630473539.db2.gz KAZUZURKVHMNSG-NEPJUHHUSA-N 0 0 308.378 3.223 20 10 DGCDRN COCCCC[N@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC000841893840 630474080 /nfs/dbraw/zinc/47/40/80/630474080.db2.gz KHOXTZHYMRZEMP-UHFFFAOYSA-N 0 0 316.239 3.322 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CCC3(C2)CCCCC3)cc1 ZINC000841953566 630476148 /nfs/dbraw/zinc/47/61/48/630476148.db2.gz AOPVYAFAIVMVET-UHFFFAOYSA-N 0 0 301.434 3.177 20 10 DGCDRN CC(C)C[C@H]1CCCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841956394 630476769 /nfs/dbraw/zinc/47/67/69/630476769.db2.gz ALJNRCWXYWHWGQ-QGZVFWFLSA-N 0 0 303.450 3.422 20 10 DGCDRN CC(C)(C)C[C@H]1CCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841956165 630476824 /nfs/dbraw/zinc/47/68/24/630476824.db2.gz XEQPNJOKVKUNCD-OAHLLOKOSA-N 0 0 303.450 3.279 20 10 DGCDRN CC(C)[C@@H]1N(C(=O)NCCc2ccc(N)cc2)CC12CCC2 ZINC000841955436 630476933 /nfs/dbraw/zinc/47/69/33/630476933.db2.gz BZNWCCQJVTUEJR-INIZCTEOSA-N 0 0 301.434 3.031 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000841962206 630477188 /nfs/dbraw/zinc/47/71/88/630477188.db2.gz NEQSUVVUJZTHQA-LJQANCHMSA-N 0 0 323.440 3.228 20 10 DGCDRN CN(Cc1ccc(Cl)s1)C(=O)NCCc1ccc(N)cc1 ZINC000841962001 630477192 /nfs/dbraw/zinc/47/71/92/630477192.db2.gz JZWYHAZJQBRPGW-UHFFFAOYSA-N 0 0 323.849 3.368 20 10 DGCDRN Cc1cccc([C@H]2CCN(C(=O)NCCc3ccc(N)cc3)C2)c1 ZINC000841960391 630477198 /nfs/dbraw/zinc/47/71/98/630477198.db2.gz ORPIAYGIDGCDPO-SFHVURJKSA-N 0 0 323.440 3.319 20 10 DGCDRN CCS[C@@H]1CC[C@@H](N(C)C(=O)NCCc2ccc(N)cc2)C1 ZINC000841960644 630477241 /nfs/dbraw/zinc/47/72/41/630477241.db2.gz URUUAIDQNIJYAM-HZPDHXFCSA-N 0 0 321.490 3.127 20 10 DGCDRN C[C@H]1c2ccsc2CCN1C(=O)NCCc1ccc(N)cc1 ZINC000841961581 630477255 /nfs/dbraw/zinc/47/72/55/630477255.db2.gz FIXYLXHLAABTJK-LBPRGKRZSA-N 0 0 315.442 3.202 20 10 DGCDRN CCCC[C@@H](NC(=O)NCCc1ccc(N)cc1)C1CCC1 ZINC000841957655 630477287 /nfs/dbraw/zinc/47/72/87/630477287.db2.gz KQQVUVONSXKKLE-QGZVFWFLSA-N 0 0 303.450 3.469 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CCC[C@@H]2c2ccccc2)cc1 ZINC000841961606 630477299 /nfs/dbraw/zinc/47/72/99/630477299.db2.gz FZMHOWIMXKYSBN-GOSISDBHSA-N 0 0 309.413 3.358 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CCCC23CCCCC3)cc1 ZINC000841960810 630477306 /nfs/dbraw/zinc/47/73/06/630477306.db2.gz XITSKMNEZXKXAH-UHFFFAOYSA-N 0 0 301.434 3.320 20 10 DGCDRN CC[C@@H]1Cc2ccccc2CN1C(=O)NCCc1ccc(N)cc1 ZINC000841960161 630477340 /nfs/dbraw/zinc/47/73/40/630477340.db2.gz WOPWEMKIUZKZLC-LJQANCHMSA-N 0 0 323.440 3.358 20 10 DGCDRN CC[C@@H](COC(=O)c1sc2nc(C)cc(C)c2c1N)OC ZINC000842061262 630485333 /nfs/dbraw/zinc/48/53/33/630485333.db2.gz ZWLSQYDRROPSLG-JTQLQIEISA-N 0 0 308.403 3.077 20 10 DGCDRN CC[C@H](COC(=O)c1cc(C)n(-c2ccccn2)c1C)OC ZINC000842064239 630485638 /nfs/dbraw/zinc/48/56/38/630485638.db2.gz PSZDZKQVBWYREZ-CQSZACIVSA-N 0 0 302.374 3.071 20 10 DGCDRN Cc1cc(C)c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)s1 ZINC000867302536 630563487 /nfs/dbraw/zinc/56/34/87/630563487.db2.gz QUNSTOXUSKRFMW-SNVBAGLBSA-N 0 0 305.399 3.137 20 10 DGCDRN C[C@H](C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC(F)F ZINC000842727694 630568764 /nfs/dbraw/zinc/56/87/64/630568764.db2.gz QIDMLPXAZMYBDJ-ZETCQYMHSA-N 0 0 308.712 3.335 20 10 DGCDRN CCOc1ccc(O)c(CN[C@@H](CC)C(=O)OC(C)(C)C)c1 ZINC000842772014 630574444 /nfs/dbraw/zinc/57/44/44/630574444.db2.gz SLAQRJLQKQELJF-AWEZNQCLSA-N 0 0 309.406 3.001 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)CCc3ccnc(C)n3)cc12 ZINC000842821160 630579407 /nfs/dbraw/zinc/57/94/07/630579407.db2.gz RTTANAFKEPLYOH-UHFFFAOYSA-N 0 0 323.396 3.432 20 10 DGCDRN CC/C(C)=C/C(=O)OC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000842873758 630588120 /nfs/dbraw/zinc/58/81/20/630588120.db2.gz JJPWMHUPBZUZIM-ATGUSINASA-N 0 0 303.402 3.421 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)[C@H](F)C(C)C)C2)cc1 ZINC000842874280 630588233 /nfs/dbraw/zinc/58/82/33/630588233.db2.gz BKGDOKWEJILYCQ-CZUORRHYSA-N 0 0 309.381 3.059 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)[C@H]3CC34CCC4)C2)cc1 ZINC000842878088 630588531 /nfs/dbraw/zinc/58/85/31/630588531.db2.gz HAMRQKYAAOCTAC-WMLDXEAASA-N 0 0 315.413 3.255 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)[C@@H](C)C3CC3)C2)cc1 ZINC000842880513 630588628 /nfs/dbraw/zinc/58/86/28/630588628.db2.gz YTLDGDMXQJGFAS-KBPBESRZSA-N 0 0 303.402 3.111 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)c3ccoc3C)C2)cc1 ZINC000842881410 630589003 /nfs/dbraw/zinc/58/90/03/630589003.db2.gz NOZSQIDTCMEULV-CQSZACIVSA-N 0 0 315.369 3.280 20 10 DGCDRN CCOc1ccc(NC(=O)NCc2cccc(OC)c2O)cc1 ZINC000104969949 630600341 /nfs/dbraw/zinc/60/03/41/630600341.db2.gz IKZSLOAESUEDGA-UHFFFAOYSA-N 0 0 316.357 3.121 20 10 DGCDRN COc1cccc(CNC(=O)Nc2cc(C)ccc2F)c1O ZINC000104977262 630601104 /nfs/dbraw/zinc/60/11/04/630601104.db2.gz SGESVKBRODYMAZ-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1CN1CCC([NH2+]CC2CC2)CC1 ZINC000843054228 630609036 /nfs/dbraw/zinc/60/90/36/630609036.db2.gz HDNFAWFXSKTVHT-UHFFFAOYSA-N 0 0 312.816 3.149 20 10 DGCDRN Nc1ccc(Cc2noc(-c3ccn(C4CCCC4)n3)n2)cc1 ZINC000843160431 630623358 /nfs/dbraw/zinc/62/33/58/630623358.db2.gz YETLVIDCAPPODB-UHFFFAOYSA-N 0 0 309.373 3.221 20 10 DGCDRN Nc1ccc(Cc2noc(COc3ccc4c(c3)CCC4)n2)cc1 ZINC000843160059 630623601 /nfs/dbraw/zinc/62/36/01/630623601.db2.gz VEYAMUPHDWLNRO-UHFFFAOYSA-N 0 0 321.380 3.310 20 10 DGCDRN COCC1(c2noc(Cc3ccc(N)cc3)n2)CCCCC1 ZINC000843233450 630636739 /nfs/dbraw/zinc/63/67/39/630636739.db2.gz LBBSECRUFJESFD-UHFFFAOYSA-N 0 0 301.390 3.091 20 10 DGCDRN CC[C@H](C)C[C@@H]1NC(=O)N([C@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000843307175 630644592 /nfs/dbraw/zinc/64/45/92/630644592.db2.gz CXCCZFSLBWGVBS-ZENOOKHLSA-N 0 0 317.433 3.170 20 10 DGCDRN Oc1ccc(Cl)cc1CN1CCc2cc(Cl)nnc2C1 ZINC000843418087 630655085 /nfs/dbraw/zinc/65/50/85/630655085.db2.gz HTYOSVJWYULQHT-UHFFFAOYSA-N 0 0 310.184 3.047 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H](CCO)c1ccccc1F ZINC000843429323 630657368 /nfs/dbraw/zinc/65/73/68/630657368.db2.gz ARAVBRWNZMGSFT-OAHLLOKOSA-N 0 0 309.768 3.398 20 10 DGCDRN COc1cc(Cl)cc(CN2C[C@H](C)OC3(CCC3)C2)c1O ZINC000843432598 630658036 /nfs/dbraw/zinc/65/80/36/630658036.db2.gz NZMNRKWWYZRAHN-NSHDSACASA-N 0 0 311.809 3.198 20 10 DGCDRN C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)Cc1ccc(N)cc1 ZINC000843495269 630663181 /nfs/dbraw/zinc/66/31/81/630663181.db2.gz QDJCZNJKMWVYIN-CHWSQXEVSA-N 0 0 312.388 3.485 20 10 DGCDRN CC(C)(C)SCC(=O)NCc1ccc2cccnc2c1O ZINC000843514189 630664130 /nfs/dbraw/zinc/66/41/30/630664130.db2.gz MQYWJINTBJOJPK-UHFFFAOYSA-N 0 0 304.415 3.088 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCC[C@H]1C ZINC000105312006 630690312 /nfs/dbraw/zinc/69/03/12/630690312.db2.gz NCGDORPOSKARNB-RHSMWYFYSA-N 0 0 303.450 3.473 20 10 DGCDRN CCNC(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C ZINC000843750371 630697967 /nfs/dbraw/zinc/69/79/67/630697967.db2.gz RTINXGYUFDCBNG-UHFFFAOYSA-N 0 0 322.206 3.001 20 10 DGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)C1(C(F)F)CC1 ZINC000843776059 630700038 /nfs/dbraw/zinc/70/00/38/630700038.db2.gz IVOCGKTUCFXOOP-UHFFFAOYSA-N 0 0 308.372 3.338 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC000843851882 630702006 /nfs/dbraw/zinc/70/20/06/630702006.db2.gz SVIYKVGPTXQDKY-UHOFOFEASA-N 0 0 317.429 3.361 20 10 DGCDRN COc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C2CC2)c(O)c1 ZINC000843874433 630702290 /nfs/dbraw/zinc/70/22/90/630702290.db2.gz KKEDGRZGHNPHIC-HZPDHXFCSA-N 0 0 303.402 3.233 20 10 DGCDRN CC1(C)CCC[C@H]1[C@H]1CCN(C(=O)c2cccc(O)c2O)C1 ZINC000844033596 630707338 /nfs/dbraw/zinc/70/73/38/630707338.db2.gz PTWGKVAKJZDJHL-JSGCOSHPSA-N 0 0 303.402 3.386 20 10 DGCDRN COc1ccccc1NC[C@H](O)COc1c(C)ccc(C)c1C ZINC000844153532 630710930 /nfs/dbraw/zinc/71/09/30/630710930.db2.gz WPFAZNYMGTXYAA-INIZCTEOSA-N 0 0 315.413 3.472 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc(C(F)(F)F)cn2)cc1 ZINC000844258422 630714433 /nfs/dbraw/zinc/71/44/33/630714433.db2.gz WXHANPBWPQNYFB-UHFFFAOYSA-N 0 0 323.318 3.096 20 10 DGCDRN COc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)c(F)c1 ZINC000844275138 630715355 /nfs/dbraw/zinc/71/53/55/630715355.db2.gz RJULRSWBQGNOKI-NTEUORMPSA-N 0 0 320.389 3.291 20 10 DGCDRN CC(C)[N@H+](Cc1cc2n(n1)CCC2)Cc1ccc(N(C)C)cc1 ZINC000844277616 630715365 /nfs/dbraw/zinc/71/53/65/630715365.db2.gz DVZPWSMCCRHGFJ-UHFFFAOYSA-N 0 0 312.461 3.306 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]C2([C@@H](C)C(=O)[O-])CC2)cc1F ZINC000844289245 630716063 /nfs/dbraw/zinc/71/60/63/630716063.db2.gz ACDAIQSCMVREGL-LBPRGKRZSA-N 0 0 308.397 3.015 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]C2([C@H](C)C(=O)[O-])CC2)cc1F ZINC000844289243 630716071 /nfs/dbraw/zinc/71/60/71/630716071.db2.gz ACDAIQSCMVREGL-GFCCVEGCSA-N 0 0 308.397 3.015 20 10 DGCDRN COc1ccc(N(C)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000844353501 630720745 /nfs/dbraw/zinc/72/07/45/630720745.db2.gz QDHLXESBKREFHO-UHFFFAOYSA-N 0 0 302.330 3.248 20 10 DGCDRN COc1ccc(N(C)CCN(C)Cc2ccn(C(C)C)n2)cc1 ZINC000844400689 630724854 /nfs/dbraw/zinc/72/48/54/630724854.db2.gz GLYKUAFJXMTCLN-UHFFFAOYSA-N 0 0 316.449 3.041 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)C(C2CC2)C2CC2)cc1 ZINC000844853671 630943170 /nfs/dbraw/zinc/94/31/70/630943170.db2.gz AQUQMFMVLDEVHQ-UHFFFAOYSA-N 0 0 316.445 3.026 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)CCCCSC)cc1 ZINC000844855230 630945231 /nfs/dbraw/zinc/94/52/31/630945231.db2.gz RNOHBNQQGGGWOY-UHFFFAOYSA-N 0 0 324.490 3.123 20 10 DGCDRN COc1cccc(CNC(=O)c2ccc(SC)cc2)c1O ZINC000105652645 630950812 /nfs/dbraw/zinc/95/08/12/630950812.db2.gz KVLQMKQDOXSLEU-UHFFFAOYSA-N 0 0 303.383 3.053 20 10 DGCDRN COc1ccc(C[NH2+]C[C@@](C)(C(=O)[O-])c2ccccc2)cc1C ZINC000844940514 630997842 /nfs/dbraw/zinc/99/78/42/630997842.db2.gz WDYZVXBZNCTTMD-LJQANCHMSA-N 0 0 313.397 3.136 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC1CC2(CCC2)C1 ZINC000845004099 631030510 /nfs/dbraw/zinc/03/05/10/631030510.db2.gz WFTGHADISXHIPV-UHFFFAOYSA-N 0 0 311.429 3.195 20 10 DGCDRN O=C(NCCCSc1nccs1)NC1(C2CCC2)CC1 ZINC000845048141 631055332 /nfs/dbraw/zinc/05/53/32/631055332.db2.gz ZMQXECUTRMQFMF-UHFFFAOYSA-N 0 0 311.476 3.257 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCC(F)(F)C1 ZINC000845064299 631063205 /nfs/dbraw/zinc/06/32/05/631063205.db2.gz HBXJQTMNZLWBDA-JTQLQIEISA-N 0 0 304.724 3.033 20 10 DGCDRN COC/C(C)=C\C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000845116057 631081560 /nfs/dbraw/zinc/08/15/60/631081560.db2.gz BWJNLUGRPLGKPJ-SSZFMOIBSA-N 0 0 316.445 3.228 20 10 DGCDRN CO[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000845125975 631087028 /nfs/dbraw/zinc/08/70/28/631087028.db2.gz SNZOQXRBNXQXBL-IAOVAPTHSA-N 0 0 319.449 3.070 20 10 DGCDRN CN(C)c1ccc(CN(C)c2nnc(C(F)(F)F)s2)cc1 ZINC000845459096 631176215 /nfs/dbraw/zinc/17/62/15/631176215.db2.gz LYFSBKYNULFHRQ-UHFFFAOYSA-N 0 0 316.352 3.259 20 10 DGCDRN CSc1ccnc(NCc2ccc(N3CCCC3)cc2)n1 ZINC000845465399 631176695 /nfs/dbraw/zinc/17/66/95/631176695.db2.gz HZUMXBFSQGDSJW-UHFFFAOYSA-N 0 0 300.431 3.411 20 10 DGCDRN CCOc1nc(N[C@@H](C)c2cc(OC)ccc2O)ncc1Cl ZINC000845485638 631178446 /nfs/dbraw/zinc/17/84/46/631178446.db2.gz OJMMGJPJVYTZGE-VIFPVBQESA-N 0 0 323.780 3.416 20 10 DGCDRN CCn1ccc(CC(=O)Oc2ccc3c(c2)c(C)c(C)n3C)n1 ZINC000845607260 631183326 /nfs/dbraw/zinc/18/33/26/631183326.db2.gz ZUKHQNXICFGEHK-UHFFFAOYSA-N 0 0 311.385 3.160 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC2CC3(CCC3)C2)c1 ZINC000845723129 631191401 /nfs/dbraw/zinc/19/14/01/631191401.db2.gz APEFLLDEXPAKML-LLVKDONJSA-N 0 0 304.390 3.094 20 10 DGCDRN COc1cc(F)c(CN(C)c2ccc3c(c2)OCO3)cc1OC ZINC000845950962 631203600 /nfs/dbraw/zinc/20/36/00/631203600.db2.gz QMJBWGIHPFWHNC-UHFFFAOYSA-N 0 0 319.332 3.208 20 10 DGCDRN C[C@@H](O)[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccccc1F ZINC000846015603 631205978 /nfs/dbraw/zinc/20/59/78/631205978.db2.gz CROKFUOURWIXEI-KZULUSFZSA-N 0 0 320.383 3.243 20 10 DGCDRN CC(C)(C)OC(=O)CN(Cc1cc(F)ccc1O)CC1CC1 ZINC000846052929 631208270 /nfs/dbraw/zinc/20/82/70/631208270.db2.gz KSJZGDJDYFPJGB-UHFFFAOYSA-N 0 0 309.381 3.085 20 10 DGCDRN COc1cccc([C@H](C)N[C@@H](C(=O)OC(C)(C)C)C(C)C)c1O ZINC000846159913 631212782 /nfs/dbraw/zinc/21/27/82/631212782.db2.gz NPJVSAGMACCBRU-SWLSCSKDSA-N 0 0 323.433 3.418 20 10 DGCDRN COc1cccc([C@@H](C)N[C@@H](C(=O)OC(C)(C)C)C(C)C)c1O ZINC000846159911 631212785 /nfs/dbraw/zinc/21/27/85/631212785.db2.gz NPJVSAGMACCBRU-IUODEOHRSA-N 0 0 323.433 3.418 20 10 DGCDRN C[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccccc1F ZINC000846182958 631213770 /nfs/dbraw/zinc/21/37/70/631213770.db2.gz MLNQALDGMLFLKU-RVPKQNPDSA-N 0 0 307.340 3.443 20 10 DGCDRN CN(C)c1ccc(C[N@@H+]2CCc3cccc(C(=O)[O-])c3C2)cc1 ZINC000846276602 631218645 /nfs/dbraw/zinc/21/86/45/631218645.db2.gz WSTUONFWWIGVEE-UHFFFAOYSA-N 0 0 310.397 3.009 20 10 DGCDRN CCN(C)c1ccc(C[N@@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000846284802 631221372 /nfs/dbraw/zinc/22/13/72/631221372.db2.gz ORDKVRCLXSIVCQ-INIZCTEOSA-N 0 0 318.461 3.466 20 10 DGCDRN O=C(CCCc1ccccn1)NCc1cc(Cl)ccc1O ZINC000846472377 631249129 /nfs/dbraw/zinc/24/91/29/631249129.db2.gz IZFSMDDYVVZJLS-UHFFFAOYSA-N 0 0 304.777 3.080 20 10 DGCDRN CC1CCC(OCC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000846472553 631249607 /nfs/dbraw/zinc/24/96/07/631249607.db2.gz ABVBNBHIAGHKPK-UHFFFAOYSA-N 0 0 311.809 3.257 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)C1(C(F)(F)F)CCC1 ZINC000846476865 631250753 /nfs/dbraw/zinc/25/07/53/631250753.db2.gz PEHATYWZQPNDMV-UHFFFAOYSA-N 0 0 307.699 3.394 20 10 DGCDRN Cc1ccc(C(=O)N2CCc3ccccc3[C@H](C)C2)c(O)c1O ZINC000846515173 631254318 /nfs/dbraw/zinc/25/43/18/631254318.db2.gz BWWWDRUOJXLRPJ-CYBMUJFWSA-N 0 0 311.381 3.208 20 10 DGCDRN C[C@@H](NC(=O)c1csc(Cc2ccc(N)cc2)n1)C(C)(C)C ZINC000846698146 631289129 /nfs/dbraw/zinc/28/91/29/631289129.db2.gz CJAAEXSLISFLCI-LLVKDONJSA-N 0 0 317.458 3.481 20 10 DGCDRN CN(Cc1cnsn1)Cc1ccc(N2CCCCC2)cc1 ZINC000846765999 631299500 /nfs/dbraw/zinc/29/95/00/631299500.db2.gz IOLGRXAREBWORS-UHFFFAOYSA-N 0 0 302.447 3.160 20 10 DGCDRN C/C(=C/c1ccncc1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000846976827 631371466 /nfs/dbraw/zinc/37/14/66/631371466.db2.gz HKNOGDFOQGVCEZ-SEWDUPMJSA-N 0 0 309.413 3.428 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(OC)o1 ZINC000847399151 631472158 /nfs/dbraw/zinc/47/21/58/631472158.db2.gz OBPOGXXUBNIZGQ-UHFFFAOYSA-N 0 0 302.374 3.017 20 10 DGCDRN COc1cccc(CNC(=O)CCCc2ccc(F)cc2)c1O ZINC000847590377 631493601 /nfs/dbraw/zinc/49/36/01/631493601.db2.gz XROBJAGFYZXBOH-UHFFFAOYSA-N 0 0 317.360 3.179 20 10 DGCDRN CCN(C(=O)/C=C/c1cnc(C(C)(C)C)s1)c1cnn(C)c1 ZINC000848342515 631647349 /nfs/dbraw/zinc/64/73/49/631647349.db2.gz NMAIOHIEFIDOSQ-BQYQJAHWSA-N 0 0 318.446 3.240 20 10 DGCDRN COC[C@H](CC(C)(C)C)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000848564233 631694935 /nfs/dbraw/zinc/69/49/35/631694935.db2.gz KDQHBDXJNSMONL-JSGCOSHPSA-N 0 0 323.433 3.281 20 10 DGCDRN Cc1ccc(O)c(CN[C@@H](C[C@@H]2CCCO2)C(F)(F)F)c1 ZINC000848571188 631698077 /nfs/dbraw/zinc/69/80/77/631698077.db2.gz DSOCVWXEUHSUOG-JSGCOSHPSA-N 0 0 303.324 3.290 20 10 DGCDRN CCc1cccc(CNc2ccc([S@](C)=O)c(F)c2)c1O ZINC000848890734 631774117 /nfs/dbraw/zinc/77/41/17/631774117.db2.gz KWTFSVZZXFXLCR-NRFANRHFSA-N 0 0 307.390 3.443 20 10 DGCDRN CCc1cccc(CN2C[C@H](C(F)(F)F)OC[C@H]2C)c1O ZINC000848910153 631783265 /nfs/dbraw/zinc/78/32/65/631783265.db2.gz HJLYIEHNGQMZRY-ZWNOBZJWSA-N 0 0 303.324 3.106 20 10 DGCDRN CCc1cccc(CN2CCC[C@@H](CO)[C@H]2C(F)(F)F)c1O ZINC000848918017 631786393 /nfs/dbraw/zinc/78/63/93/631786393.db2.gz MUINGTQBBHBJEM-ZFWWWQNUSA-N 0 0 317.351 3.090 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000848927828 631790497 /nfs/dbraw/zinc/79/04/97/631790497.db2.gz OIOMPURRZWRXIO-LSDHHAIUSA-N 0 0 312.816 3.291 20 10 DGCDRN CN1C(=O)/C(=C/c2cccc(OC3CC3)c2F)SC1=S ZINC000849174405 631853355 /nfs/dbraw/zinc/85/33/55/631853355.db2.gz QVZXXQVNTOPORV-XFFZJAGNSA-N 0 0 309.387 3.198 20 10 DGCDRN COc1ccnc(CNC(=S)Nc2cc(C)ccc2C)c1F ZINC000849297241 631884027 /nfs/dbraw/zinc/88/40/27/631884027.db2.gz PEPHZRPUXHJALS-UHFFFAOYSA-N 0 0 319.405 3.333 20 10 DGCDRN CCC(C)(C)N(C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849417148 631906795 /nfs/dbraw/zinc/90/67/95/631906795.db2.gz KMAJYAKMFRDTLH-CQSZACIVSA-N 0 0 319.449 3.104 20 10 DGCDRN CO[C@@H](COC(=O)/C=C\c1ccc(O)c(O)c1)C1CCCCC1 ZINC000849745220 631957879 /nfs/dbraw/zinc/95/78/79/631957879.db2.gz MOOIRZDUCYFZPG-PXAMLJHWSA-N 0 0 320.385 3.250 20 10 DGCDRN C[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccccc1F ZINC000108968718 632002185 /nfs/dbraw/zinc/00/21/85/632002185.db2.gz JUIZLMWVJKODQJ-GFCCVEGCSA-N 0 0 318.367 3.451 20 10 DGCDRN Cc1cc(NC(=O)[C@@H](C)Sc2ncc(Cl)s2)on1 ZINC000849998326 632024424 /nfs/dbraw/zinc/02/44/24/632024424.db2.gz DLTSYEFALZGREI-ZCFIWIBFSA-N 0 0 303.796 3.212 20 10 DGCDRN COc1cc(CN[C@H](C)c2csnn2)c(O)c(C(C)(C)C)c1 ZINC000850326824 632113741 /nfs/dbraw/zinc/11/37/41/632113741.db2.gz CNOJMVCHCBSJCB-SNVBAGLBSA-N 0 0 321.446 3.401 20 10 DGCDRN COCC1([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCCC1 ZINC000850344985 632119971 /nfs/dbraw/zinc/11/99/71/632119971.db2.gz DZKXMNKYHRDDLS-UHFFFAOYSA-N 0 0 314.769 3.003 20 10 DGCDRN C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])c2ncnn21 ZINC000850352282 632122809 /nfs/dbraw/zinc/12/28/09/632122809.db2.gz QYXZYWBWEHEYAH-WRWORJQWSA-N 0 0 313.188 3.086 20 10 DGCDRN C[C@H](O)[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)c1ccccc1 ZINC000850421572 632147770 /nfs/dbraw/zinc/14/77/70/632147770.db2.gz YTUDSRGPXOKKBV-QFYYESIMSA-N 0 0 309.768 3.396 20 10 DGCDRN CC[C@@H](COCC1CC1)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850495205 632171744 /nfs/dbraw/zinc/17/17/44/632171744.db2.gz YJHMJTHBOZVQCR-AAEUAGOBSA-N 0 0 308.378 3.156 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1C[C@H](C)n2ncnc21)c1cccc(Cl)c1[O-] ZINC000850498829 632172554 /nfs/dbraw/zinc/17/25/54/632172554.db2.gz DQCRJYSSLHXFCY-TVYUQYBPSA-N 0 0 306.797 3.384 20 10 DGCDRN Cc1cc(Cl)cc([C@H](C)N[C@H]2C[C@H](C)n3ncnc32)c1O ZINC000850499203 632172578 /nfs/dbraw/zinc/17/25/78/632172578.db2.gz LFQTULAYMMKGOZ-KWBADKCTSA-N 0 0 306.797 3.302 20 10 DGCDRN C[C@@H]([NH2+]C/C=C/CO)c1cc(Br)cc(Cl)c1[O-] ZINC000850508690 632175230 /nfs/dbraw/zinc/17/52/30/632175230.db2.gz NDDBJKPLYNZLIF-UFUPEUMYSA-N 0 0 320.614 3.007 20 10 DGCDRN C[C@@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850536901 632186050 /nfs/dbraw/zinc/18/60/50/632186050.db2.gz OWAJJKFSTJJGKI-RNCFNFMXSA-N 0 0 300.305 3.386 20 10 DGCDRN C[C@@H](NCc1ncccn1)c1ccc(N2CCCCC2)c(F)c1 ZINC000850551399 632190086 /nfs/dbraw/zinc/19/00/86/632190086.db2.gz HTYGMIRPJUWRKX-CQSZACIVSA-N 0 0 314.408 3.457 20 10 DGCDRN COC(CCN1CCCc2cc(OC(F)(F)F)ccc21)OC ZINC000851823153 632503631 /nfs/dbraw/zinc/50/36/31/632503631.db2.gz FOQNBAAJYYXPHC-UHFFFAOYSA-N 0 0 319.323 3.347 20 10 DGCDRN Oc1ccccc1C[N@@H+](Cc1cccc(F)n1)C[C@H]1CCCO1 ZINC000851840135 632506920 /nfs/dbraw/zinc/50/69/20/632506920.db2.gz ACEXYSFHCVSHDP-MRXNPFEDSA-N 0 0 316.376 3.108 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NCC(F)(F)Br)c1 ZINC000851899766 632518764 /nfs/dbraw/zinc/51/87/64/632518764.db2.gz FOCZZHZEZWZERK-SSDOTTSWSA-N 0 0 310.138 3.039 20 10 DGCDRN CC[C@@H](CC(F)F)CN(C)c1ccc(OCC(=O)OC)cc1 ZINC000851924311 632522823 /nfs/dbraw/zinc/52/28/23/632522823.db2.gz NAKRCJOMAZHPOY-LBPRGKRZSA-N 0 0 315.360 3.356 20 10 DGCDRN CCCC[N@@H+](Cc1ccccc1O)C[C@@H](O)c1ccccn1 ZINC000852019261 632540007 /nfs/dbraw/zinc/54/00/07/632540007.db2.gz XRGFWUMRYALPBS-GOSISDBHSA-N 0 0 300.402 3.123 20 10 DGCDRN CCCC[N@@H+](Cc1ccccc1O)C[C@H](O)c1ccccn1 ZINC000852019263 632540621 /nfs/dbraw/zinc/54/06/21/632540621.db2.gz XRGFWUMRYALPBS-SFHVURJKSA-N 0 0 300.402 3.123 20 10 DGCDRN Cc1cccc(OCCC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000008171075 632545578 /nfs/dbraw/zinc/54/55/78/632545578.db2.gz UVVNMMKHJJNLRH-UHFFFAOYSA-N 0 0 312.413 3.146 20 10 DGCDRN C[C@@H](NC(=O)NCCCc1ccco1)c1ccc(N(C)C)cc1 ZINC000852261732 632578211 /nfs/dbraw/zinc/57/82/11/632578211.db2.gz USBSVVJIMCQGCX-CQSZACIVSA-N 0 0 315.417 3.339 20 10 DGCDRN Cc1cc(CN2CC[C@@H](O)C(F)(F)C2)ccc1N1CCCCC1 ZINC000852414377 632600686 /nfs/dbraw/zinc/60/06/86/632600686.db2.gz OPCRAXNUMGOZQT-QGZVFWFLSA-N 0 0 324.415 3.187 20 10 DGCDRN O=C(c1ccncc1)N(Cc1ccco1)Cc1ccccc1O ZINC000072622109 660206472 /nfs/dbraw/zinc/20/64/72/660206472.db2.gz XBUNAQVOTBMVLH-UHFFFAOYSA-N 0 0 308.337 3.223 20 10 DGCDRN COc1cccc2c1OC[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])C2 ZINC000185334468 660216570 /nfs/dbraw/zinc/21/65/70/660216570.db2.gz DRKXQJFMCSPDFW-BXUZGUMPSA-N 0 0 317.360 3.194 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3cc(F)ccc3F)ccc21 ZINC000058768862 659106410 /nfs/dbraw/zinc/10/64/10/659106410.db2.gz JVUCELKZLXDJFL-UHFFFAOYSA-N 0 0 316.351 3.277 20 10 DGCDRN C[C@@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000185647367 660235507 /nfs/dbraw/zinc/23/55/07/660235507.db2.gz LGOPBMSLGVAHHA-CYBMUJFWSA-N 0 0 320.383 3.453 20 10 DGCDRN CCN(CC(F)F)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000185839616 660247713 /nfs/dbraw/zinc/24/77/13/660247713.db2.gz YABQYXGTJNZPIZ-UHFFFAOYSA-N 0 0 307.344 3.216 20 10 DGCDRN Cc1cc(C(=O)Nc2nncs2)c(C)n1-c1ccc(F)cc1 ZINC000073181001 660252020 /nfs/dbraw/zinc/25/20/20/660252020.db2.gz GRPMAGWQRGAFQD-UHFFFAOYSA-N 0 0 316.361 3.337 20 10 DGCDRN Cc1ccccc1CCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000186374866 660378617 /nfs/dbraw/zinc/37/86/17/660378617.db2.gz APEVEUJRFRZRDZ-CQSZACIVSA-N 0 0 313.397 3.086 20 10 DGCDRN COc1cccc(CNC(=O)NCCCC2CCCC2)c1O ZINC000073705756 660518757 /nfs/dbraw/zinc/51/87/57/660518757.db2.gz NSPWDKVWGPSRSV-UHFFFAOYSA-N 0 0 306.406 3.170 20 10 DGCDRN C[C@H](CCCO)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708098606 660918031 /nfs/dbraw/zinc/91/80/31/660918031.db2.gz LEPSERXOIVJVOK-MRVPVSSYSA-N 0 0 322.630 3.059 20 10 DGCDRN C[C@H](O)CCC[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708098274 660918049 /nfs/dbraw/zinc/91/80/49/660918049.db2.gz GQEBMYXNWRVPSS-QMMMGPOBSA-N 0 0 322.630 3.059 20 10 DGCDRN CC[C@@](C)(CO)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708098311 660918101 /nfs/dbraw/zinc/91/81/01/660918101.db2.gz HTGMKMYVKMYCBY-LBPRGKRZSA-N 0 0 322.630 3.059 20 10 DGCDRN COCC1([NH2+]Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708135234 660918356 /nfs/dbraw/zinc/91/83/56/660918356.db2.gz YHRLSEBVWPJMIC-UHFFFAOYSA-N 0 0 320.614 3.077 20 10 DGCDRN CC[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])[C@H](C)O ZINC000708173082 660918631 /nfs/dbraw/zinc/91/86/31/660918631.db2.gz VCBRGYZCAXHVKV-CPCISQLKSA-N 0 0 322.630 3.057 20 10 DGCDRN CC[C@@H]1CN(Cc2ccc(Br)cc2O)C[C@H](C)O1 ZINC000708351417 660920232 /nfs/dbraw/zinc/92/02/32/660920232.db2.gz XQCQPQMPBCZSGM-GXFFZTMASA-N 0 0 314.223 3.154 20 10 DGCDRN COc1cc(NC(=O)N(C)Cc2ccccc2O)ccc1F ZINC000187129031 660956389 /nfs/dbraw/zinc/95/63/89/660956389.db2.gz OZWTYZYZKSVROR-UHFFFAOYSA-N 0 0 304.321 3.204 20 10 DGCDRN COc1ccc(CNC(=O)N[C@H]2CCC(C)(C)C[C@H]2C)c(O)c1 ZINC000792977434 660998115 /nfs/dbraw/zinc/99/81/15/660998115.db2.gz WHNDZKNXMKTGLI-DOMZBBRYSA-N 0 0 320.433 3.415 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c(O)c1 ZINC000793058784 661002740 /nfs/dbraw/zinc/00/27/40/661002740.db2.gz MNFKUSGXNPNMQA-KCQAQPDRSA-N 0 0 318.417 3.169 20 10 DGCDRN COc1cc(Br)cc(C[NH2+]CCC2(C)CC2)c1O ZINC000793199841 661012175 /nfs/dbraw/zinc/01/21/75/661012175.db2.gz ZOEJHAOUUQRBDT-UHFFFAOYSA-N 0 0 314.223 3.443 20 10 DGCDRN COc1ccc(CNC(=O)NCC2(C)CCC(C)CC2)c(O)c1 ZINC000793219515 661014337 /nfs/dbraw/zinc/01/43/37/661014337.db2.gz JSVKZYSEPSBYCL-UHFFFAOYSA-N 0 0 320.433 3.416 20 10 DGCDRN CC[C@H](C)CC[C@H](O)CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000793281433 661020664 /nfs/dbraw/zinc/02/06/64/661020664.db2.gz QMDXOEFENXRIKA-ZFWWWQNUSA-N 0 0 324.440 3.085 20 10 DGCDRN CC[C@H](C)CC[C@@H](O)CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000793281425 661020701 /nfs/dbraw/zinc/02/07/01/661020701.db2.gz QMDXOEFENXRIKA-DZGCQCFKSA-N 0 0 324.440 3.085 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC000793515569 661040334 /nfs/dbraw/zinc/04/03/34/661040334.db2.gz OOHKDZHBJIRGGM-GOSISDBHSA-N 0 0 312.388 3.156 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)COC1CCC(C)CC1 ZINC000793515560 661040335 /nfs/dbraw/zinc/04/03/35/661040335.db2.gz OHKGRDBSOKOYOG-UHFFFAOYSA-N 0 0 318.461 3.273 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000793623101 661050621 /nfs/dbraw/zinc/05/06/21/661050621.db2.gz FQVLEVVWHFZVES-UHFFFAOYSA-N 0 0 314.719 3.332 20 10 DGCDRN C[C@H](NC(=O)Cc1ccc2c[nH]nc2c1)c1ccc(N(C)C)cc1 ZINC000793857315 661060833 /nfs/dbraw/zinc/06/08/33/661060833.db2.gz UPFDNEZENOLUBB-ZDUSSCGKSA-N 0 0 322.412 3.049 20 10 DGCDRN COc1ccc(CNC(=O)c2cc3c(cc(C)cc3C)[nH]2)c(O)c1 ZINC000794376450 661081385 /nfs/dbraw/zinc/08/13/85/661081385.db2.gz HDPWLDZJNZYKDS-UHFFFAOYSA-N 0 0 324.380 3.429 20 10 DGCDRN COc1ccc(CNC(=O)[C@H]2CCCc3ccccc32)c(O)c1 ZINC000794376573 661081519 /nfs/dbraw/zinc/08/15/19/661081519.db2.gz GISILZWARKZHSH-KRWDZBQOSA-N 0 0 311.381 3.137 20 10 DGCDRN COc1ccc(CNC(=O)[C@H](c2ccccc2)C(C)C)c(O)c1 ZINC000794382086 661082285 /nfs/dbraw/zinc/08/22/85/661082285.db2.gz XLYVTEWLADYIBY-SFHVURJKSA-N 0 0 313.397 3.457 20 10 DGCDRN COc1ccc(CNC(=O)CC(C)(C)c2ccccc2)c(O)c1 ZINC000794387807 661082675 /nfs/dbraw/zinc/08/26/75/661082675.db2.gz MJHPXFPSKFMXJS-UHFFFAOYSA-N 0 0 313.397 3.385 20 10 DGCDRN CCCOc1cccc(C(=O)NCc2ccc(OC)cc2O)c1 ZINC000794387821 661082676 /nfs/dbraw/zinc/08/26/76/661082676.db2.gz MMCSNEJTXZDDNF-UHFFFAOYSA-N 0 0 315.369 3.120 20 10 DGCDRN CC[C@@](C)(OC)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000795053908 661124311 /nfs/dbraw/zinc/12/43/11/661124311.db2.gz YPKGYRYSAHWNBC-GOSISDBHSA-N 0 0 304.434 3.108 20 10 DGCDRN COc1ccc(CNc2cc(Br)ccn2)c(O)c1 ZINC000795285906 661138268 /nfs/dbraw/zinc/13/82/68/661138268.db2.gz VLFNSBQFFJRZNY-UHFFFAOYSA-N 0 0 309.163 3.170 20 10 DGCDRN COc1ccc(CNc2cc(C)c(Br)cn2)c(O)c1 ZINC000795286094 661138344 /nfs/dbraw/zinc/13/83/44/661138344.db2.gz ZVSHHTDZGBJNAQ-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN CCOc1cc(NCc2ccc(OC)cc2O)ccc1[N+](=O)[O-] ZINC000795284943 661138379 /nfs/dbraw/zinc/13/83/79/661138379.db2.gz NXJBRTBHEJLRMS-UHFFFAOYSA-N 0 0 318.329 3.320 20 10 DGCDRN COc1ccc(CNc2ncnc3sc(C)cc32)c(O)c1 ZINC000795284090 661138398 /nfs/dbraw/zinc/13/83/98/661138398.db2.gz HWEWTJXLUQCPPH-UHFFFAOYSA-N 0 0 301.371 3.326 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CCC(C)=C(C)C2)c([N+](=O)[O-])c1 ZINC000795302591 661138933 /nfs/dbraw/zinc/13/89/33/661138933.db2.gz IVTDAXDXWWBOSW-ALCCZGGFSA-N 0 0 316.357 3.328 20 10 DGCDRN CC(C)O[C@H](COC(=O)c1cccc(O)c1O)c1ccccc1 ZINC000795537333 661158631 /nfs/dbraw/zinc/15/86/31/661158631.db2.gz XMQXPVBTWPSLAG-MRXNPFEDSA-N 0 0 316.353 3.421 20 10 DGCDRN CN1CCc2cc(/C=C3\N=C(c4cccs4)OC3=O)ccc21 ZINC000254994086 655555648 /nfs/dbraw/zinc/55/56/48/655555648.db2.gz ZIUGPWKBVWUUQP-RAXLEYEMSA-N 0 0 310.378 3.085 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C\c1c(F)cccc1F ZINC000021191532 655577931 /nfs/dbraw/zinc/57/79/31/655577931.db2.gz JESXHEHEAGTNMU-LCYFTJDESA-N 0 0 308.353 3.421 20 10 DGCDRN Cc1cc(C(=O)Cn2nc(C)nc2C)c(C)n1-c1ccccc1C ZINC000176857270 655597132 /nfs/dbraw/zinc/59/71/32/655597132.db2.gz LBULTWCINVHMQD-UHFFFAOYSA-N 0 0 322.412 3.494 20 10 DGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cc[nH]c1 ZINC000175850386 655612022 /nfs/dbraw/zinc/61/20/22/655612022.db2.gz KECXXBPYQVILLY-UHFFFAOYSA-N 0 0 323.190 3.145 20 10 DGCDRN CCOC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000187685716 655631126 /nfs/dbraw/zinc/63/11/26/655631126.db2.gz LINNNGUVMCMTSS-KGLIPLIRSA-N 0 0 320.433 3.300 20 10 DGCDRN CCC(CC)n1nccc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000160678625 655668658 /nfs/dbraw/zinc/66/86/58/655668658.db2.gz ILSHEKCGIGJNAB-UHFFFAOYSA-N 0 0 314.433 3.240 20 10 DGCDRN CCc1nc(C(=O)N(CC)Cc2ccc(N(C)C)cc2)c(C)o1 ZINC000795751534 661171731 /nfs/dbraw/zinc/17/17/31/661171731.db2.gz DXIMKRFUMCISRW-UHFFFAOYSA-N 0 0 315.417 3.274 20 10 DGCDRN CN1CCCc2cc(CNC(=O)[C@@H]3C[C@H]3c3ccccc3)ccc21 ZINC000795832463 661174778 /nfs/dbraw/zinc/17/47/78/661174778.db2.gz GYIIRABHOXMASO-RBUKOAKNSA-N 0 0 320.436 3.489 20 10 DGCDRN COC(=O)c1coc(COc2ccc(N3CCCC3)cc2)c1 ZINC000178192540 655719707 /nfs/dbraw/zinc/71/97/07/655719707.db2.gz LAHMJFHUKYRKND-UHFFFAOYSA-N 0 0 301.342 3.245 20 10 DGCDRN O=C1NC(=S)S/C1=C\c1ccc(F)cc1Br ZINC000178296276 655727583 /nfs/dbraw/zinc/72/75/83/655727583.db2.gz ZOQFBEOMPOSQHX-BAQGIRSFSA-N 0 0 318.192 3.077 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H]1CCCC1(F)F ZINC000933816238 655734739 /nfs/dbraw/zinc/73/47/39/655734739.db2.gz VRYXGYNQROCVHW-GFCCVEGCSA-N 0 0 324.371 3.304 20 10 DGCDRN C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@@H]1C ZINC000161298414 655780607 /nfs/dbraw/zinc/78/06/07/655780607.db2.gz NBBRNMJAPKMYDA-OLZOCXBDSA-N 0 0 307.413 3.079 20 10 DGCDRN O=C(/C=C\Sc1ccccc1)NCCc1ccc(O)c(O)c1 ZINC000255510617 655782405 /nfs/dbraw/zinc/78/24/05/655782405.db2.gz PZHQZMQHUJNKAL-LUAWRHEFSA-N 0 0 315.394 3.063 20 10 DGCDRN Cc1cc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)ncn1 ZINC000161331695 655785191 /nfs/dbraw/zinc/78/51/91/655785191.db2.gz IPOANYKGNHVWHT-UHFFFAOYSA-N 0 0 324.428 3.048 20 10 DGCDRN Cc1cccc(OCCNC(=O)[C@H](C)Sc2nccs2)c1 ZINC000052914378 655846671 /nfs/dbraw/zinc/84/66/71/655846671.db2.gz ROWFSCHHVNRONZ-LBPRGKRZSA-N 0 0 322.455 3.127 20 10 DGCDRN C[C@@H](Sc1nccs1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000052914370 655846703 /nfs/dbraw/zinc/84/67/03/655846703.db2.gz PXWNBJAOZXASSZ-ZYHUDNBSSA-N 0 0 320.439 3.264 20 10 DGCDRN Cc1c2ccccc2oc(=O)c1C(=O)N(C)Cc1ccccc1O ZINC000176831149 655850022 /nfs/dbraw/zinc/85/00/22/655850022.db2.gz SJEGIVJGWYGLPK-UHFFFAOYSA-N 0 0 323.348 3.079 20 10 DGCDRN C[C@H]([NH2+]C[C@H](c1ccccc1)N(C)C)c1cc(F)ccc1O ZINC000176980961 655885573 /nfs/dbraw/zinc/88/55/73/655885573.db2.gz GQEFORNBWIUFFB-SUMWQHHRSA-N 0 0 302.393 3.485 20 10 DGCDRN COCCN(C/C(Cl)=C\Cl)c1ccc(OC)c(OC)c1 ZINC000255754324 655893013 /nfs/dbraw/zinc/89/30/13/655893013.db2.gz IPVHEGKMUZSMPC-PKNBQFBNSA-N 0 0 320.216 3.476 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C1(CO)CCCCC1 ZINC000053096134 655918852 /nfs/dbraw/zinc/91/88/52/655918852.db2.gz OTIHFEGWGWTXFW-UHFFFAOYSA-N 0 0 304.217 3.484 20 10 DGCDRN O=C(CSc1nccs1)NC1(c2ccccc2)CCC1 ZINC000077580757 655923486 /nfs/dbraw/zinc/92/34/86/655923486.db2.gz KBLNARYICGVNKM-UHFFFAOYSA-N 0 0 304.440 3.431 20 10 DGCDRN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N(C)Cc1ccccc1O ZINC000066046897 655927899 /nfs/dbraw/zinc/92/78/99/655927899.db2.gz ZWNHAKJPIQWOBP-LLVKDONJSA-N 0 0 321.323 3.096 20 10 DGCDRN CCC1(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CCC1 ZINC000177676504 655938802 /nfs/dbraw/zinc/93/88/02/655938802.db2.gz WIXACPMOIXAFAJ-UHFFFAOYSA-N 0 0 316.445 3.062 20 10 DGCDRN C[C@@H]1CCCN(C(=O)NCCCSc2nccs2)[C@H]1C ZINC000177853157 655948485 /nfs/dbraw/zinc/94/84/85/655948485.db2.gz FNMRQOJWFADWLZ-NEPJUHHUSA-N 0 0 313.492 3.455 20 10 DGCDRN CCO[C@@H](C)c1noc(COc2ccc(N3CCCC3)cc2)n1 ZINC000178195217 655959558 /nfs/dbraw/zinc/95/95/58/655959558.db2.gz QTWKMBSBPBIKDP-ZDUSSCGKSA-N 0 0 317.389 3.346 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)/C=C\c2ccc(O)cc2)cc1 ZINC000255913338 655966306 /nfs/dbraw/zinc/96/63/06/655966306.db2.gz PUXLFGCNNKIFMB-JYRVWZFOSA-N 0 0 310.397 3.130 20 10 DGCDRN O=S(=O)(c1ccc(NCc2ccccc2O)cc1)C(F)F ZINC000036958015 661211222 /nfs/dbraw/zinc/21/12/22/661211222.db2.gz QQLVDCPSDSGTFE-UHFFFAOYSA-N 0 0 313.325 3.001 20 10 DGCDRN CCOc1cccc(CNc2cccc(-c3nc[nH]n3)c2)c1O ZINC000168753790 656009327 /nfs/dbraw/zinc/00/93/27/656009327.db2.gz HYBSYDRINAGWFO-UHFFFAOYSA-N 0 0 310.357 3.188 20 10 DGCDRN Nc1ccc(NC(=O)c2cc(F)cc(Br)c2)cc1 ZINC000037025723 661213553 /nfs/dbraw/zinc/21/35/53/661213553.db2.gz LYVZPMZMFSBMOH-UHFFFAOYSA-N 0 0 309.138 3.423 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(OC(F)F)cc1 ZINC000180591156 656093822 /nfs/dbraw/zinc/09/38/22/656093822.db2.gz LXVXRXNPONTKJT-KRXBUXKQSA-N 0 0 321.279 3.351 20 10 DGCDRN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2nc(C(C)C)no2)c1 ZINC000182432026 656105808 /nfs/dbraw/zinc/10/58/08/656105808.db2.gz LEOVLLKSAJRRHR-MNOVXSKESA-N 0 0 305.378 3.319 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1ccc(F)cc1[O-] ZINC000186230464 656130837 /nfs/dbraw/zinc/13/08/37/656130837.db2.gz PPHNPOOGVAFVOZ-JSGCOSHPSA-N 0 0 309.381 3.258 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2cccc(F)c2C#N)cc1 ZINC000187521539 656138888 /nfs/dbraw/zinc/13/88/88/656138888.db2.gz ROIOLHUYEIBZIZ-UHFFFAOYSA-N 0 0 311.360 3.036 20 10 DGCDRN Cc1cc(C)n(-c2ccccc2NC(=O)c2cccc(O)c2O)n1 ZINC000188161767 656143896 /nfs/dbraw/zinc/14/38/96/656143896.db2.gz OYMFYYLSZBIWFE-UHFFFAOYSA-N 0 0 323.352 3.153 20 10 DGCDRN CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(O)c1O ZINC000188155030 656143943 /nfs/dbraw/zinc/14/39/43/656143943.db2.gz AVMLMVUXBCOSOV-UHFFFAOYSA-N 0 0 310.353 3.022 20 10 DGCDRN COc1ccc(O)c(CNC(=O)C(C)(C)c2ccccc2C)c1 ZINC000178374948 656156724 /nfs/dbraw/zinc/15/67/24/656156724.db2.gz DNWAWJVMEMQHCF-UHFFFAOYSA-N 0 0 313.397 3.303 20 10 DGCDRN Cc1cnc(CCCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000828861442 661232978 /nfs/dbraw/zinc/23/29/78/661232978.db2.gz PICHRMZCMKJBSD-CQSZACIVSA-N 0 0 315.417 3.249 20 10 DGCDRN COc1cccc(CNc2ncc(C)cc2Br)c1O ZINC000194316455 656200102 /nfs/dbraw/zinc/20/01/02/656200102.db2.gz GCLCJFMRTGXHSM-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN COc1cc(Cl)cc(CNc2cccc(CCO)c2)c1O ZINC000313144225 656262401 /nfs/dbraw/zinc/26/24/01/656262401.db2.gz QTVOIVSJTKHUBD-UHFFFAOYSA-N 0 0 307.777 3.201 20 10 DGCDRN CCC(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2O)c1 ZINC000053916549 656454322 /nfs/dbraw/zinc/45/43/22/656454322.db2.gz APEQUSYGUYSRPJ-UHFFFAOYSA-N 0 0 312.369 3.013 20 10 DGCDRN CCn1nccc1C=C1SC(Nc2ccccc2C)=NC1=O ZINC000178864463 657092714 /nfs/dbraw/zinc/09/27/14/657092714.db2.gz BLNBIPYRDNZHNS-UVTDQMKNSA-N 0 0 312.398 3.294 20 10 DGCDRN O=C1Nc2ccc(F)cc2/C1=C/c1nccn1CC(F)(F)F ZINC000178903226 657188139 /nfs/dbraw/zinc/18/81/39/657188139.db2.gz FWHCWDZWIVKRMS-POHAHGRESA-N 0 0 311.238 3.077 20 10 DGCDRN COc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1F ZINC000119720935 657294096 /nfs/dbraw/zinc/29/40/96/657294096.db2.gz GIEUTQZXGRHJJY-UHFFFAOYSA-N 0 0 316.376 3.283 20 10 DGCDRN Cc1cc(C=C2SC(=S)NC2=O)cc(C)c1OC(F)F ZINC000007155222 657310482 /nfs/dbraw/zinc/31/04/82/657310482.db2.gz PEJAQBXSGOJLFQ-UITAMQMPSA-N 0 0 315.366 3.394 20 10 DGCDRN COc1ccc(N(C)Cc2cn3c(cccc3C)n2)c(OC)c1 ZINC000179004144 657389025 /nfs/dbraw/zinc/38/90/25/657389025.db2.gz RGHGLTJVTDJECF-UHFFFAOYSA-N 0 0 311.385 3.296 20 10 DGCDRN CN(Cc1nc2ccccc2s1)C(=O)Cc1ccc(N)cc1 ZINC000237254299 657426228 /nfs/dbraw/zinc/42/62/28/657426228.db2.gz SCINUTYFXQFYSA-UHFFFAOYSA-N 0 0 311.410 3.080 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000320301016 657492807 /nfs/dbraw/zinc/49/28/07/657492807.db2.gz SPWJNUPAJQZKSI-GOSISDBHSA-N 0 0 312.413 3.448 20 10 DGCDRN C[C@H]1CN(C(=O)NCCCSc2nccs2)CC[C@@H]1C ZINC000163409814 658317648 /nfs/dbraw/zinc/31/76/48/658317648.db2.gz DQSUJOTXLUUEPD-RYUDHWBXSA-N 0 0 313.492 3.313 20 10 DGCDRN O=C(N[C@H]1CCOC1)N(Cc1ccccc1O)C1CCCCC1 ZINC000179152353 658338353 /nfs/dbraw/zinc/33/83/53/658338353.db2.gz WUQYXLSGVDIXKY-HNNXBMFYSA-N 0 0 318.417 3.025 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C\c1cc(F)cc(F)c1 ZINC000179176787 658375207 /nfs/dbraw/zinc/37/52/07/658375207.db2.gz DXRNBAJZEYERQV-JYRVWZFOSA-N 0 0 308.353 3.421 20 10 DGCDRN CC(=O)c1cc(F)cc(CN(CC(F)(F)F)C2CC2)c1O ZINC000042776184 658798893 /nfs/dbraw/zinc/79/88/93/658798893.db2.gz QXEORVVSHGYONS-UHFFFAOYSA-N 0 0 305.271 3.261 20 10 DGCDRN C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccnc1 ZINC000043788742 658834749 /nfs/dbraw/zinc/83/47/49/658834749.db2.gz CXHQPFYAGHWXCP-CQSZACIVSA-N 0 0 312.417 3.050 20 10 DGCDRN CC1CCC(N(C)C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000031729546 658844556 /nfs/dbraw/zinc/84/45/56/658844556.db2.gz KGUOAEZAAFUTQW-UHFFFAOYSA-N 0 0 303.450 3.473 20 10 DGCDRN Cc1cc(O)c(CN(C)c2ccccc2S(C)(=O)=O)cc1C ZINC000164828247 658947074 /nfs/dbraw/zinc/94/70/74/658947074.db2.gz VYKMBWBVNYXGBN-UHFFFAOYSA-N 0 0 319.426 3.049 20 10 DGCDRN C[C@H](NCc1csc(N(C)C)n1)c1ccc(N(C)C)cc1 ZINC000157056718 658983080 /nfs/dbraw/zinc/98/30/80/658983080.db2.gz XAJSTRIXKZDOAU-LBPRGKRZSA-N 0 0 304.463 3.126 20 10 DGCDRN COc1cccc(CNC(=O)Nc2cccc(Cl)c2)c1O ZINC000057881783 659034547 /nfs/dbraw/zinc/03/45/47/659034547.db2.gz MBROBNUXENAJHC-UHFFFAOYSA-N 0 0 306.749 3.376 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCOc2ccccc2)c1 ZINC000157885662 659118730 /nfs/dbraw/zinc/11/87/30/659118730.db2.gz AZJOQDMCQSWEET-CYBMUJFWSA-N 0 0 315.369 3.047 20 10 DGCDRN COCC[C@H](C)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000060345351 659169808 /nfs/dbraw/zinc/16/98/08/659169808.db2.gz CLXKQFMZPMANTK-LBPRGKRZSA-N 0 0 318.392 3.388 20 10 DGCDRN Cc1cccc(OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000060678712 659193321 /nfs/dbraw/zinc/19/33/21/659193321.db2.gz HGIIVZZUWVOTLB-UHFFFAOYSA-N 0 0 312.413 3.098 20 10 DGCDRN [O-]c1c(Br)cccc1C[NH2+]C[C@H]1CCCS1 ZINC000087473299 659214335 /nfs/dbraw/zinc/21/43/35/659214335.db2.gz CPHRVFNVOHGGJI-SNVBAGLBSA-N 0 0 302.237 3.140 20 10 DGCDRN COc1ccc(O)c(CNc2cnc(Br)c(C)c2)c1 ZINC000228836672 659215602 /nfs/dbraw/zinc/21/56/02/659215602.db2.gz UOPLJQLSMACKNY-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1n[nH]c2c1CCCC2 ZINC000170731957 659231159 /nfs/dbraw/zinc/23/11/59/659231159.db2.gz CFSHWIJFRPBAIY-UHFFFAOYSA-N 0 0 313.401 3.047 20 10 DGCDRN COc1ccc(N2CCN(C(=O)CC3=CCCCC3)CC2)cc1 ZINC000171754995 659296313 /nfs/dbraw/zinc/29/63/13/659296313.db2.gz QJEZORLMJFYMAK-UHFFFAOYSA-N 0 0 314.429 3.234 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CC[C@H]2CCCCO2)cc1 ZINC000171850477 659302068 /nfs/dbraw/zinc/30/20/68/659302068.db2.gz CNLGVTWYFUCWOU-GOSISDBHSA-N 0 0 318.461 3.498 20 10 DGCDRN COc1cccc(CNC(=O)[C@H](SC)c2ccccc2)c1O ZINC000172403695 659333965 /nfs/dbraw/zinc/33/39/65/659333965.db2.gz VMKUYVNIYUYNHN-MRXNPFEDSA-N 0 0 317.410 3.121 20 10 DGCDRN CCc1cnc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)s1 ZINC000174219021 659420870 /nfs/dbraw/zinc/42/08/70/659420870.db2.gz VDRZEOINTOMADW-SECBINFHSA-N 0 0 321.402 3.302 20 10 DGCDRN COc1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000174512411 659436908 /nfs/dbraw/zinc/43/69/08/659436908.db2.gz JNTLIGKLKAHPQW-UHFFFAOYSA-N 0 0 311.381 3.210 20 10 DGCDRN COc1ccc(N(C)Cc2c(Br)c(C)nn2C)cc1 ZINC000089232621 659580174 /nfs/dbraw/zinc/58/01/74/659580174.db2.gz TYIDYOLBDQWJGP-UHFFFAOYSA-N 0 0 324.222 3.136 20 10 DGCDRN CCN(Cc1ccc(Cl)nn1)c1ccc(OC)c(OC)c1 ZINC000929897599 659714694 /nfs/dbraw/zinc/71/46/94/659714694.db2.gz MFTYIUYKICDYKY-UHFFFAOYSA-N 0 0 307.781 3.174 20 10 DGCDRN Nc1ccc(CC(=O)NCCCSc2ccc(F)cc2)cc1 ZINC000238112175 659959207 /nfs/dbraw/zinc/95/92/07/659959207.db2.gz FQDMUWKTGXAADK-UHFFFAOYSA-N 0 0 318.417 3.249 20 10 DGCDRN CC(C)(NC(=O)/C=C/c1ccc(O)c(O)c1)c1cccc(F)c1 ZINC000180797228 659970583 /nfs/dbraw/zinc/97/05/83/659970583.db2.gz LNZOBSFTIBXHTG-VQHVLOKHSA-N 0 0 315.344 3.302 20 10 DGCDRN CCS[C@@H]1CC[C@@H](N(C)C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180827742 659972240 /nfs/dbraw/zinc/97/22/40/659972240.db2.gz HLIWZMDKTPQLOF-KEGUIYOVSA-N 0 0 321.442 3.244 20 10 DGCDRN COc1c(C)ccc(NC(=O)c2ccc(C)c(O)c2O)c1C ZINC000181948930 660027854 /nfs/dbraw/zinc/02/78/54/660027854.db2.gz DODIYFGIOURATD-UHFFFAOYSA-N 0 0 301.342 3.284 20 10 DGCDRN COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc3ccccc3n2C)c1 ZINC000182355930 660045662 /nfs/dbraw/zinc/04/56/62/660045662.db2.gz NAKNMTSTHSCZPN-GFCCVEGCSA-N 0 0 311.385 3.138 20 10 DGCDRN COc1ccc(O)c(CNC(=O)/C(C)=C/c2ccc(C)cc2)c1 ZINC000182508219 660058850 /nfs/dbraw/zinc/05/88/50/660058850.db2.gz MBKBYAWHWBYEMG-GXDHUFHOSA-N 0 0 311.381 3.429 20 10 DGCDRN CCC(CC)[C@@H]1C[C@H](NC(=O)c2ccc(C)c(O)c2O)CCO1 ZINC000183003529 660097761 /nfs/dbraw/zinc/09/77/61/660097761.db2.gz PBULEZLURCYPBU-HIFRSBDPSA-N 0 0 321.417 3.120 20 10 DGCDRN C/C(=C\C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC000183433501 660111587 /nfs/dbraw/zinc/11/15/87/660111587.db2.gz WMXRPGZIVVLCJG-UELRPHRMSA-N 0 0 311.381 3.249 20 10 DGCDRN CN1CCCc2cc(CNC(=O)/C=C/c3cccc(O)c3)ccc21 ZINC000183511511 660121039 /nfs/dbraw/zinc/12/10/39/660121039.db2.gz XQWWKZIBNNRWQT-CSKARUKUSA-N 0 0 322.408 3.104 20 10 DGCDRN O=C(c1cccnc1)N(Cc1ccco1)Cc1ccccc1O ZINC000071797580 660148847 /nfs/dbraw/zinc/14/88/47/660148847.db2.gz SJCAUMWLQRFDAO-UHFFFAOYSA-N 0 0 308.337 3.223 20 10 DGCDRN COc1ccc(O)c([C@H](C)NCc2nc(C(C)C)ns2)c1 ZINC000930213352 661378653 /nfs/dbraw/zinc/37/86/53/661378653.db2.gz HVAAQIRKEGWHSR-JTQLQIEISA-N 0 0 307.419 3.227 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C=O)oc1C ZINC000930905959 661438423 /nfs/dbraw/zinc/43/84/23/661438423.db2.gz YAWQAASMPORWIW-UHFFFAOYSA-N 0 0 314.385 3.129 20 10 DGCDRN C[C@H](C1CC1)n1nccc1NC(=O)NCc1c(O)cccc1F ZINC000930919144 661438696 /nfs/dbraw/zinc/43/86/96/661438696.db2.gz HUVRSXOKWBATMH-SNVBAGLBSA-N 0 0 318.352 3.021 20 10 DGCDRN CC[C@H](C)[C@@H](NC(=O)N1Cc2cccc(O)c2C1)C(F)(F)F ZINC000931097772 661452126 /nfs/dbraw/zinc/45/21/26/661452126.db2.gz ZQARJNGGUYHXRG-TVQRCGJNSA-N 0 0 316.323 3.394 20 10 DGCDRN COC(=O)/C=C\c1ccc(N(C)[C@@H](C)C2CC2)c([N+](=O)[O-])c1 ZINC000931454113 661478072 /nfs/dbraw/zinc/47/80/72/661478072.db2.gz QUNDFIWRUGLCRG-GWZUUTHWSA-N 0 0 304.346 3.016 20 10 DGCDRN CC(=O)c1cc(F)cc(CN(C)C2(C(F)(F)F)CC2)c1O ZINC000932301086 661557479 /nfs/dbraw/zinc/55/74/79/661557479.db2.gz JFXGXVKYHQCPAT-UHFFFAOYSA-N 0 0 305.271 3.261 20 10 DGCDRN C[C@@H](NC(=O)Nc1cnn(C)c1Cl)c1ccc(N(C)C)cc1 ZINC000932402266 661566623 /nfs/dbraw/zinc/56/66/23/661566623.db2.gz CXIJKCGXLLYQLF-SNVBAGLBSA-N 0 0 321.812 3.022 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCO[C@@H](C(C)C)C1 ZINC000932944596 661611214 /nfs/dbraw/zinc/61/12/14/661611214.db2.gz YFCZNJUWXGGZSM-MAUKXSAKSA-N 0 0 318.461 3.128 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2ccc(C3CC3)cn2)cc1 ZINC000933977663 661671305 /nfs/dbraw/zinc/67/13/05/661671305.db2.gz HKIMXXJBUISZNN-UHFFFAOYSA-N 0 0 310.401 3.347 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CC[C@@H](O)c3ccccc32)c1O ZINC000934080273 661677278 /nfs/dbraw/zinc/67/72/78/661677278.db2.gz ZIFZLKFDKSAEMS-QGZVFWFLSA-N 0 0 315.344 3.178 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccccc1C1CCC1 ZINC000934939440 661750225 /nfs/dbraw/zinc/75/02/25/661750225.db2.gz SJDIIQBBUZZQFG-UHFFFAOYSA-N 0 0 311.381 3.338 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)c1 ZINC000934941027 661750397 /nfs/dbraw/zinc/75/03/97/661750397.db2.gz VHPJLROENQHXMX-YIYPIFLZSA-N 0 0 303.402 3.404 20 10 DGCDRN COc1ccc(O)c(CNC(=O)C(C)(C)Cc2ccccc2)c1 ZINC000155967992 661856200 /nfs/dbraw/zinc/85/62/00/661856200.db2.gz ALYKBAHAGXGMSR-UHFFFAOYSA-N 0 0 313.397 3.286 20 10 DGCDRN C[N@@H+](Cc1cccc(Br)c1[O-])C[C@@H]1CCCOC1 ZINC000156029896 661857115 /nfs/dbraw/zinc/85/71/15/661857115.db2.gz KYGAUPPDKCTSQZ-NSHDSACASA-N 0 0 314.223 3.013 20 10 DGCDRN CCn1nccc1CN(Cc1ccco1)Cc1ccccc1O ZINC000156412036 661862775 /nfs/dbraw/zinc/86/27/75/661862775.db2.gz HZJQNDIBSRXDPD-UHFFFAOYSA-N 0 0 311.385 3.404 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C=C/c2cccc(F)c2)c1 ZINC000157821927 661868904 /nfs/dbraw/zinc/86/89/04/661868904.db2.gz OYVMKAMKKBGULV-UVMWJGKXSA-N 0 0 315.344 3.431 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[C@@H]1CCCO1 ZINC000046784462 661870282 /nfs/dbraw/zinc/87/02/82/661870282.db2.gz LXGSDIAXJYMHPQ-SFHVURJKSA-N 0 0 316.445 3.204 20 10 DGCDRN CC1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000046984109 661871276 /nfs/dbraw/zinc/87/12/76/661871276.db2.gz BMYZJRNHYACUDA-UHFFFAOYSA-N 0 0 301.434 3.228 20 10 DGCDRN O=C1N=C(NC2CCCCC2)SC1=Cc1ccc(O)c(F)c1 ZINC000158761315 661877678 /nfs/dbraw/zinc/87/76/78/661877678.db2.gz OOXGLKAQLJAKTC-NTEUORMPSA-N 0 0 320.389 3.424 20 10 DGCDRN O=C(Cc1ccc2ccccc2c1)NCc1ccc(O)c(O)c1 ZINC000158936928 661880525 /nfs/dbraw/zinc/88/05/25/661880525.db2.gz QLKXOPWBAHVVHI-UHFFFAOYSA-N 0 0 307.349 3.110 20 10 DGCDRN C[C@@H](SCc1ccccc1)C(=O)NCc1ccc(O)c(O)c1 ZINC000159124870 661883156 /nfs/dbraw/zinc/88/31/56/661883156.db2.gz SJPJWTGKDMSTAI-GFCCVEGCSA-N 0 0 317.410 3.036 20 10 DGCDRN CCC(C)(CC)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000159242805 661884571 /nfs/dbraw/zinc/88/45/71/661884571.db2.gz GEHMRNLMKMPFOO-UHFFFAOYSA-N 0 0 322.424 3.309 20 10 DGCDRN CCN(C(=O)c1cccc(O)c1O)[C@H](C)c1ccc(C#N)cc1 ZINC000188267901 661923142 /nfs/dbraw/zinc/92/31/42/661923142.db2.gz GYCWXSOKEAJBIX-GFCCVEGCSA-N 0 0 310.353 3.193 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@H]3CCC[C@H]32)cc1 ZINC000075499357 661933499 /nfs/dbraw/zinc/93/34/99/661933499.db2.gz YQMLAWXGSZZGBB-NVXWUHKLSA-N 0 0 301.434 3.227 20 10 DGCDRN CCc1ccccc1CC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000188909517 661953261 /nfs/dbraw/zinc/95/32/61/661953261.db2.gz SBSAKLJUPMQIKE-ZDUSSCGKSA-N 0 0 313.397 3.383 20 10 DGCDRN N#Cc1c(F)cccc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000188989573 661957284 /nfs/dbraw/zinc/95/72/84/661957284.db2.gz MNERQVAGCHLQLQ-UHFFFAOYSA-N 0 0 323.371 3.228 20 10 DGCDRN CO[C@H](C)CNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000189097245 661962532 /nfs/dbraw/zinc/96/25/32/661962532.db2.gz FJTWZRWXCJREPL-CQSZACIVSA-N 0 0 300.402 3.167 20 10 DGCDRN CO[C@@H](C)CNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000189097270 661962612 /nfs/dbraw/zinc/96/26/12/661962612.db2.gz FJTWZRWXCJREPL-AWEZNQCLSA-N 0 0 300.402 3.167 20 10 DGCDRN Cc1cc(C)c2c(c1)CN(C(=O)c1ccc(C)c(O)c1O)CC2 ZINC000189245340 661970658 /nfs/dbraw/zinc/97/06/58/661970658.db2.gz IAWXGITVUTZJIP-UHFFFAOYSA-N 0 0 311.381 3.222 20 10 DGCDRN CCc1cc(O)ccc1NS(=O)(=O)c1ccc(C)c(F)c1 ZINC000189425417 661977846 /nfs/dbraw/zinc/97/78/46/661977846.db2.gz YFDNUJJZRBFMHD-UHFFFAOYSA-N 0 0 309.362 3.203 20 10 DGCDRN COc1ccc(O)c([C@H]2Nc3cc(Cl)ccc3C(=O)N2C)c1 ZINC000077430992 662026082 /nfs/dbraw/zinc/02/60/82/662026082.db2.gz JOBQDRBQKIAMTE-HNNXBMFYSA-N 0 0 318.760 3.251 20 10 DGCDRN COc1ccc(O)c([C@@H]2Nc3cc(Cl)ccc3C(=O)N2C)c1 ZINC000077430981 662026085 /nfs/dbraw/zinc/02/60/85/662026085.db2.gz JOBQDRBQKIAMTE-OAHLLOKOSA-N 0 0 318.760 3.251 20 10 DGCDRN Cc1c(F)cccc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000190972749 662050492 /nfs/dbraw/zinc/05/04/92/662050492.db2.gz BXROHMHTRRYMJS-SNVBAGLBSA-N 0 0 318.348 3.298 20 10 DGCDRN CC(C)Oc1ccc(N(C)CC(=O)NC(C2CC2)C2CC2)cc1 ZINC000191580855 662073289 /nfs/dbraw/zinc/07/32/89/662073289.db2.gz FFGZJTBZOFFNHF-UHFFFAOYSA-N 0 0 316.445 3.215 20 10 DGCDRN COc1ccc(O)c(CNC(=O)CCCc2cccs2)c1 ZINC000078726245 662083053 /nfs/dbraw/zinc/08/30/53/662083053.db2.gz IVSUBIHXFAMWQR-UHFFFAOYSA-N 0 0 305.399 3.101 20 10 DGCDRN Cc1cc(C(=O)Nc2ccnc(C)c2)c(C)n1-c1ccccn1 ZINC000078892712 662088691 /nfs/dbraw/zinc/08/86/91/662088691.db2.gz GYMQMGZZHVSQRY-UHFFFAOYSA-N 0 0 306.369 3.445 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2Cc3ccccc3O2)cc1 ZINC000193747102 662147138 /nfs/dbraw/zinc/14/71/38/662147138.db2.gz ZJBSIZZGWPCURU-IBGZPJMESA-N 0 0 324.424 3.153 20 10 DGCDRN COc1cccc(CNC(=O)c2cccc(Cl)c2C)c1O ZINC000194775173 662172872 /nfs/dbraw/zinc/17/28/72/662172872.db2.gz XSXVCNBLLGWZES-UHFFFAOYSA-N 0 0 305.761 3.293 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3cccc4c3CCC4)ccc21 ZINC000195738995 662193439 /nfs/dbraw/zinc/19/34/39/662193439.db2.gz SGVYFJGMVLFGGS-UHFFFAOYSA-N 0 0 320.436 3.488 20 10 DGCDRN CCC[C@H](CC)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000195737473 662193444 /nfs/dbraw/zinc/19/34/44/662193444.db2.gz QYAQFVKLMIOSLS-INIZCTEOSA-N 0 0 303.450 3.447 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)Cc2c(F)cccc2F)c1 ZINC000088360161 662230932 /nfs/dbraw/zinc/23/09/32/662230932.db2.gz GXTPOXIBNXVGOC-JTQLQIEISA-N 0 0 321.323 3.099 20 10 DGCDRN COc1ccc(F)c(NC(=O)N(C)Cc2ccccc2O)c1 ZINC000088406982 662231081 /nfs/dbraw/zinc/23/10/81/662231081.db2.gz WOIQZKKFBHDCQK-UHFFFAOYSA-N 0 0 304.321 3.204 20 10 DGCDRN CC[C@@H]1CN(Cc2cc(Br)ccc2O)C[C@@H](C)O1 ZINC000245559172 662236048 /nfs/dbraw/zinc/23/60/48/662236048.db2.gz LJWNGPQPPDATNA-ZWNOBZJWSA-N 0 0 314.223 3.154 20 10 DGCDRN COc1ccc(N2CCN(Cc3ccc(C)o3)CC2)cc1F ZINC000091923182 662324459 /nfs/dbraw/zinc/32/44/59/662324459.db2.gz AADUBOIFHQSEKS-UHFFFAOYSA-N 0 0 304.365 3.058 20 10 DGCDRN COc1ccc(N2CCC[N@H+](Cc3ccsc3)CC2)cc1 ZINC000092380851 662330038 /nfs/dbraw/zinc/33/00/38/662330038.db2.gz OWIZVIGMOOFCAC-UHFFFAOYSA-N 0 0 302.443 3.469 20 10 DGCDRN CC1(C)C[N@H+](Cc2cccc(Br)c2[O-])CCS1 ZINC000093504485 662355939 /nfs/dbraw/zinc/35/59/39/662355939.db2.gz NENGNCCTJCDPSB-UHFFFAOYSA-N 0 0 316.264 3.482 20 10 DGCDRN CCC[C@H]1CN(Cc2cc(Br)ccc2O)CCO1 ZINC000093508409 662356074 /nfs/dbraw/zinc/35/60/74/662356074.db2.gz GJDZUQVPRQACDP-ZDUSSCGKSA-N 0 0 314.223 3.156 20 10 DGCDRN OC[C@H](NCc1ccc2c(c1)CCCO2)c1c(F)cccc1F ZINC000921749920 685316351 /nfs/dbraw/zinc/31/63/51/685316351.db2.gz SCFURSJMMIMVBO-INIZCTEOSA-N 0 0 319.351 3.113 20 10 DGCDRN CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(N)cc1 ZINC000385955714 685175779 /nfs/dbraw/zinc/17/57/79/685175779.db2.gz WCHUAEUDIBBASL-LLVKDONJSA-N 0 0 301.312 3.464 20 10 DGCDRN COCC(=O)Nc1ccc(N[C@@H](C)c2ccccc2O)cc1 ZINC000387334856 685183271 /nfs/dbraw/zinc/18/32/71/685183271.db2.gz UUQRXAPVBQOOCK-LBPRGKRZSA-N 0 0 300.358 3.150 20 10 DGCDRN COc1cc(C)ccc1NCc1ccc(N2CCOCC2)cc1 ZINC000390893415 685207393 /nfs/dbraw/zinc/20/73/93/685207393.db2.gz NGFSXIBMDRYELE-UHFFFAOYSA-N 0 0 312.413 3.452 20 10 DGCDRN CC(C)OCC(C)(C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000396400970 685227450 /nfs/dbraw/zinc/22/74/50/685227450.db2.gz XUSWWZNMPCUMGO-UHFFFAOYSA-N 0 0 316.239 3.448 20 10 DGCDRN CCOC(=O)CC[N@H+](Cc1c([O-])ccc(Cl)c1F)C(C)C ZINC001659549602 1196395133 /nfs/dbraw/zinc/39/51/33/1196395133.db2.gz UNNMHOZSOPWPNU-UHFFFAOYSA-N 0 0 317.788 3.348 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CNc3ccccc32)cc1 ZINC001577697505 1191912926 /nfs/dbraw/zinc/91/29/26/1191912926.db2.gz LWRVUKZATLTKFB-GOSISDBHSA-N 0 0 323.440 3.358 20 10 DGCDRN COc1nccc2c(NC(=O)Cc3ccc(N)cc3)cccc21 ZINC001579325520 1191973674 /nfs/dbraw/zinc/97/36/74/1191973674.db2.gz MPRSKXJDCGZOCB-UHFFFAOYSA-N 0 0 307.353 3.007 20 10 DGCDRN Cc1ccc(C(F)(F)C(=O)NCCc2ccc(N)cc2)cc1 ZINC001579666771 1191985804 /nfs/dbraw/zinc/98/58/04/1191985804.db2.gz AFXXELRESLRCLR-UHFFFAOYSA-N 0 0 304.340 3.028 20 10 DGCDRN Nc1ccc(CNC(=O)Nc2ccccc2N2CCCC2)cc1 ZINC001580445801 1192027190 /nfs/dbraw/zinc/02/71/90/1192027190.db2.gz WMSAEUMJOAOGTO-UHFFFAOYSA-N 0 0 310.401 3.191 20 10 DGCDRN CC(C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001583633499 1192154126 /nfs/dbraw/zinc/15/41/26/1192154126.db2.gz ZMVGPWQOLQZKAG-UHFFFAOYSA-N 0 0 317.360 3.217 20 10 DGCDRN Cc1ccc2nc(NC(=O)Cc3ccc(O)c(O)c3)sc2c1 ZINC001584704635 1192214219 /nfs/dbraw/zinc/21/42/19/1192214219.db2.gz HMZUSYZFJPGCGK-UHFFFAOYSA-N 0 0 314.366 3.197 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)c(O)c1O ZINC001584728651 1192216542 /nfs/dbraw/zinc/21/65/42/1192216542.db2.gz NMBUAXMIAKCIKL-GXTWGEPZSA-N 0 0 317.772 3.346 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ncsc2C(F)(F)F)c1 ZINC001584983282 1192234291 /nfs/dbraw/zinc/23/42/91/1192234291.db2.gz HOAPKYZHALTGIJ-UHFFFAOYSA-N 0 0 316.304 3.106 20 10 DGCDRN COc1ccc(/C(C)=C/C(=O)NCc2cc(C)ccc2O)cc1 ZINC001584983090 1192234798 /nfs/dbraw/zinc/23/47/98/1192234798.db2.gz CEUNUBYUYCCQGK-SDNWHVSQSA-N 0 0 311.381 3.429 20 10 DGCDRN CCN(C(=O)/C=C(\C)c1cnccn1)c1ccc2[nH]ccc2c1 ZINC001585233397 1192250849 /nfs/dbraw/zinc/25/08/49/1192250849.db2.gz BJRJIRGXJZXQFJ-JLHYYAGUSA-N 0 0 306.369 3.414 20 10 DGCDRN Cc1ccnc(-c2cccc(NC(=O)C3=CC(=O)CS3)c2)n1 ZINC001585898577 1192289649 /nfs/dbraw/zinc/28/96/49/1192289649.db2.gz JVFJYYKIDKPEOG-UHFFFAOYSA-N 0 0 311.366 3.471 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CC(c3ccccc3)C2)cc1 ZINC001587149484 1192370884 /nfs/dbraw/zinc/37/08/84/1192370884.db2.gz SXYJHDWENDVXCU-UHFFFAOYSA-N 0 0 308.341 3.089 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)Cc1cccc(O)c1 ZINC001587552356 1192406202 /nfs/dbraw/zinc/40/62/02/1192406202.db2.gz PZHJKNKOYZZUME-UHFFFAOYSA-N 0 0 324.424 3.194 20 10 DGCDRN O=C(c1ccnc(-c2ccco2)c1)N1Cc2cccc(O)c2C1 ZINC001587933320 1192426131 /nfs/dbraw/zinc/42/61/31/1192426131.db2.gz RDYNEDBTMNRYGE-UHFFFAOYSA-N 0 0 306.321 3.203 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Cc1ccc2cccnc2c1 ZINC001588156398 1192436072 /nfs/dbraw/zinc/43/60/72/1192436072.db2.gz YWNDDABRKAXWRC-UHFFFAOYSA-N 0 0 306.365 3.142 20 10 DGCDRN COc1ccc(NCc2cc(C)cc(Br)c2O)cn1 ZINC001620854415 1192461145 /nfs/dbraw/zinc/46/11/45/1192461145.db2.gz FWUFTIQMXQBUOW-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN C[N@H+](Cc1c([O-])ccc(Cl)c1F)[C@H](CO)CC(C)(C)C ZINC001664734477 1197045525 /nfs/dbraw/zinc/04/55/25/1197045525.db2.gz NUNTWOYFLLJZMV-JTQLQIEISA-N 0 0 303.805 3.414 20 10 DGCDRN Cc1c2cc(C)ccc2[nH]c1C(=O)NCc1cc(O)ccc1O ZINC001593872907 1192640804 /nfs/dbraw/zinc/64/08/04/1192640804.db2.gz GAZMNGAGSPDUDW-UHFFFAOYSA-N 0 0 310.353 3.126 20 10 DGCDRN CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001595332133 1192655346 /nfs/dbraw/zinc/65/53/46/1192655346.db2.gz AKJXNWFPOYOGMX-UONOGXRCSA-N 0 0 305.418 3.361 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)NCc1ccc(-c2ccccc2)o1 ZINC001596844131 1192707352 /nfs/dbraw/zinc/70/73/52/1192707352.db2.gz FNCHWKMLOGMPEH-UHFFFAOYSA-N 0 0 323.348 3.217 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1cc(Cl)ccc1Cl ZINC001597569784 1192737867 /nfs/dbraw/zinc/73/78/67/1192737867.db2.gz SZDOZAYWWPOWIW-UHFFFAOYSA-N 0 0 312.152 3.335 20 10 DGCDRN O=C(NCc1c(O)cccc1O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001597568901 1192737935 /nfs/dbraw/zinc/73/79/35/1192737935.db2.gz KEGUFMOPBPINCA-VHSXEESVSA-N 0 0 317.307 3.083 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1ccc2n[nH]cc2c1 ZINC001597736261 1192744622 /nfs/dbraw/zinc/74/46/22/1192744622.db2.gz AHQUKDSSNDTUAD-UHFFFAOYSA-N 0 0 317.348 3.352 20 10 DGCDRN CNc1nc(C)ccc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001597741730 1192745269 /nfs/dbraw/zinc/74/52/69/1192745269.db2.gz AJGNDGGDJQZVSG-UHFFFAOYSA-N 0 0 321.380 3.221 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)C1CC2(CSC2)C1 ZINC001597742883 1192745353 /nfs/dbraw/zinc/74/53/53/1192745353.db2.gz RHYKGWFBBNYCHI-UHFFFAOYSA-N 0 0 313.422 3.305 20 10 DGCDRN C[NH+](C)C[C@@H]1CCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000133845815 1176994544 /nfs/dbraw/zinc/99/45/44/1176994544.db2.gz DBAUTOJJDSHYCY-LBPRGKRZSA-N 0 0 303.233 3.225 20 10 DGCDRN Cc1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)oc1C(=O)[O-] ZINC001600203886 1192806147 /nfs/dbraw/zinc/80/61/47/1192806147.db2.gz YIVRBSXPGWTHKM-GFCCVEGCSA-N 0 0 302.374 3.203 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[NH2+]Cc1csc(C(=O)[O-])c1 ZINC001600236481 1192816411 /nfs/dbraw/zinc/81/64/11/1192816411.db2.gz WSMXZJXLEVDVHI-UHFFFAOYSA-N 0 0 304.415 3.111 20 10 DGCDRN C[C@@H]1C[C@@H]1CNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001671076381 1177768486 /nfs/dbraw/zinc/76/84/86/1177768486.db2.gz SIAUHGQRHZMIBY-CHWSQXEVSA-N 0 0 321.384 3.174 20 10 DGCDRN O=C(NCc1cc(Cl)c2cccnc2c1O)NC1CCCC1 ZINC001185910716 1177827892 /nfs/dbraw/zinc/82/78/92/1177827892.db2.gz ZSOGWQMZHYWQQU-UHFFFAOYSA-N 0 0 319.792 3.336 20 10 DGCDRN CO[C@H]1CCC[C@H](C(=O)Nc2c3nonc3ccc2Cl)C1 ZINC001331138120 1178142065 /nfs/dbraw/zinc/14/20/65/1178142065.db2.gz GPYYETJAODNBFU-IUCAKERBSA-N 0 0 309.753 3.020 20 10 DGCDRN Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCc1cc(C)ccc1O ZINC001331510104 1178230967 /nfs/dbraw/zinc/23/09/67/1178230967.db2.gz CYPWWTNRRVGOAT-KRWDZBQOSA-N 0 0 310.397 3.496 20 10 DGCDRN Cc1ccc(O)c(CNS(=O)(=O)CC2(C)CCCCC2)c1 ZINC001331573950 1178251229 /nfs/dbraw/zinc/25/12/29/1178251229.db2.gz JDUWIDLFIDPTJR-UHFFFAOYSA-N 0 0 311.447 3.090 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1CCC[C@H](F)C1)c1ccc(N(C)C)cc1 ZINC001332095096 1178357738 /nfs/dbraw/zinc/35/77/38/1178357738.db2.gz YOPYUIMBIGBENM-AEGPPILISA-N 0 0 307.413 3.394 20 10 DGCDRN Cc1ccc2c(c1)N[C@@H](c1ccc(N3CCCC3)cc1)NC2=O ZINC001332843792 1178506245 /nfs/dbraw/zinc/50/62/45/1178506245.db2.gz QYRXWQOQTVRESU-GOSISDBHSA-N 0 0 307.397 3.449 20 10 DGCDRN C[C@@H](NC(=O)c1ccccc1N1CCCC1=O)c1ccccc1O ZINC001333104056 1178555586 /nfs/dbraw/zinc/55/55/86/1178555586.db2.gz LAEXKDJDTQHZQP-CYBMUJFWSA-N 0 0 324.380 3.010 20 10 DGCDRN O=C1NCCc2cc(NCc3ccc(N4CCCC4)cc3)ccc21 ZINC001333144919 1178564198 /nfs/dbraw/zinc/56/41/98/1178564198.db2.gz NGRRIKATKLAAEI-UHFFFAOYSA-N 0 0 321.424 3.185 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N3C[C@@H]4CCCC[C@@H]43)ccc21 ZINC001333721262 1178660975 /nfs/dbraw/zinc/66/09/75/1178660975.db2.gz GVQYSNYPCGPHDJ-WMZOPIPTSA-N 0 0 313.445 3.153 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1cnc(C2CC2)s1 ZINC001334427914 1178762289 /nfs/dbraw/zinc/76/22/89/1178762289.db2.gz NHPUGXPJAINBOU-UHFFFAOYSA-N 0 0 308.790 3.310 20 10 DGCDRN CN(C)c1cccc(NCc2cc(F)c(N(C)C)cc2F)[nH+]1 ZINC001335483676 1178919076 /nfs/dbraw/zinc/91/90/76/1178919076.db2.gz LIPBTOXNAXQXQJ-UHFFFAOYSA-N 0 0 306.360 3.104 20 10 DGCDRN Nc1ccc(CNC(=O)NC2(Cc3ccccc3)CCC2)cc1 ZINC001335724045 1178945652 /nfs/dbraw/zinc/94/56/52/1178945652.db2.gz DYJLVYOSNRGLSE-UHFFFAOYSA-N 0 0 309.413 3.233 20 10 DGCDRN CN(C(=O)NCc1ccc(N)cc1)[C@H]1CCCc2ccccc21 ZINC001335730146 1178945760 /nfs/dbraw/zinc/94/57/60/1178945760.db2.gz JWOWDTWJUJXICC-SFHVURJKSA-N 0 0 309.413 3.488 20 10 DGCDRN Cc1nc(CSCC(=O)N[C@@H](C)c2ccccc2O)cs1 ZINC001336023806 1178983001 /nfs/dbraw/zinc/98/30/01/1178983001.db2.gz UEEIWGCLTDFDEW-JTQLQIEISA-N 0 0 322.455 3.268 20 10 DGCDRN C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)c1cc([N+](=O)[O-])ccc1[O-] ZINC001336093195 1178992080 /nfs/dbraw/zinc/99/20/80/1178992080.db2.gz FORFIDYEMJMHBD-KVAMGIGCSA-N 0 0 308.403 3.378 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OCc1csnn1 ZINC001342619841 1179161661 /nfs/dbraw/zinc/16/16/61/1179161661.db2.gz CDZVIWMPCDSLSX-UHFFFAOYSA-N 0 0 319.411 3.364 20 10 DGCDRN CO[C@H]1CC[C@@H]([NH2+]Cc2cc(C)cc(Br)c2[O-])C1 ZINC001343464728 1179280324 /nfs/dbraw/zinc/28/03/24/1179280324.db2.gz QFOALMBNSKIEIM-NEPJUHHUSA-N 0 0 314.223 3.120 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)[C@]34C[C@H]3CCC4)C2)cc1 ZINC001343752696 1179326460 /nfs/dbraw/zinc/32/64/60/1179326460.db2.gz BTWUBZQHTZLXFJ-SPYBWZPUSA-N 0 0 315.413 3.255 20 10 DGCDRN O=C([O-])c1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c(F)c1 ZINC001602348739 1192972425 /nfs/dbraw/zinc/97/24/25/1192972425.db2.gz XIASQQFNGZLWPS-UHFFFAOYSA-N 0 0 315.344 3.139 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)/C=C/c1nccs1 ZINC001346622087 1179726902 /nfs/dbraw/zinc/72/69/02/1179726902.db2.gz BMHGQQMFHPNSFV-BQYQJAHWSA-N 0 0 302.399 3.301 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCC[C@@H](F)C1 ZINC001348957287 1179857114 /nfs/dbraw/zinc/85/71/14/1179857114.db2.gz FOSMVSZZTACFLD-HZPDHXFCSA-N 0 0 304.409 3.431 20 10 DGCDRN C[C@]1(C(=O)NCc2cccc(O)c2O)CCCc2ccccc21 ZINC001349077950 1179873176 /nfs/dbraw/zinc/87/31/76/1179873176.db2.gz FVWOBZLRBVNTCX-IBGZPJMESA-N 0 0 311.381 3.008 20 10 DGCDRN Cc1ccc2c(c1)C(=O)N[C@H](c1ccc(N3CCCC3)cc1)N2 ZINC001349372877 1179899139 /nfs/dbraw/zinc/89/91/39/1179899139.db2.gz ORVQCHYIOQURHT-GOSISDBHSA-N 0 0 307.397 3.449 20 10 DGCDRN CC(C)COc1cccc(C(=O)NCc2cccc(O)c2O)c1 ZINC001350300877 1180048936 /nfs/dbraw/zinc/04/89/36/1180048936.db2.gz ZPDDPHCRPXLAJI-UHFFFAOYSA-N 0 0 315.369 3.063 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc3cccnc3c2)cc1 ZINC001350775924 1180121049 /nfs/dbraw/zinc/12/10/49/1180121049.db2.gz AWKZRODWLDZRRD-UHFFFAOYSA-N 0 0 305.381 3.231 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cc3cccn3cn2)cc1 ZINC001350863559 1180133259 /nfs/dbraw/zinc/13/32/59/1180133259.db2.gz AKUVABWYSVJLFO-UHFFFAOYSA-N 0 0 322.412 3.111 20 10 DGCDRN C[C@@H]1C[C@@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)[C@@H](C)O1 ZINC001351674690 1180235879 /nfs/dbraw/zinc/23/58/79/1180235879.db2.gz XNOKYHPUIBQGOS-IIDMSEBBSA-N 0 0 316.445 3.059 20 10 DGCDRN CC(C)(C)C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])C(=O)[O-] ZINC001603328021 1193015633 /nfs/dbraw/zinc/01/56/33/1193015633.db2.gz SSAFPCVDLXASQZ-LLVKDONJSA-N 0 0 303.761 3.164 20 10 DGCDRN COc1cccc(CNc2nc(C3CC3)nc3[nH]ccc32)c1O ZINC001351783505 1180248349 /nfs/dbraw/zinc/24/83/49/1180248349.db2.gz XURWXDDPFMUUAG-UHFFFAOYSA-N 0 0 310.357 3.162 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC001352321447 1180320639 /nfs/dbraw/zinc/32/06/39/1180320639.db2.gz PKLRIYPAUWAOEZ-QWRGUYRKSA-N 0 0 306.435 3.357 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@]2(C)CCC[C@@H]2C)cc1 ZINC001300279573 1180543540 /nfs/dbraw/zinc/54/35/40/1180543540.db2.gz HXVYTCMQEQNTLG-KXBFYZLASA-N 0 0 318.461 3.416 20 10 DGCDRN CCS[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(N)cc1 ZINC001353492865 1180569729 /nfs/dbraw/zinc/56/97/29/1180569729.db2.gz ONPHGNQJDDUFPI-HUUCEWRRSA-N 0 0 307.463 3.132 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cnc3ccccc3c2)cc1 ZINC001353505388 1180573135 /nfs/dbraw/zinc/57/31/35/1180573135.db2.gz YVZKRGYAVNMHDG-UHFFFAOYSA-N 0 0 305.381 3.231 20 10 DGCDRN CC1(C)C[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)CCO1 ZINC001353620206 1180606779 /nfs/dbraw/zinc/60/67/79/1180606779.db2.gz WZHNNDNBMFKBFU-CQSZACIVSA-N 0 0 317.429 3.092 20 10 DGCDRN S=C(NCc1ccco1)N1CCSc2ccccc2C1 ZINC001200564547 1180721076 /nfs/dbraw/zinc/72/10/76/1180721076.db2.gz KOOZIMCCWLYCMU-UHFFFAOYSA-N 0 0 304.440 3.262 20 10 DGCDRN Cc1ccc(O)c(CNc2ncnc3sc([N+](=O)[O-])cc32)c1 ZINC001472835969 1180900368 /nfs/dbraw/zinc/90/03/68/1180900368.db2.gz SCSGSQCMFBYBFZ-UHFFFAOYSA-N 0 0 316.342 3.226 20 10 DGCDRN CC[C@@H]1CCCN(c2nnc(C3SC=CC3=O)n2C)CC1 ZINC001355345541 1181040591 /nfs/dbraw/zinc/04/05/91/1181040591.db2.gz XJWDPQXMTNWZSS-LLVKDONJSA-N 0 0 306.435 3.266 20 10 DGCDRN C/C=C/C[C@@H]1CCCN(c2nnc(C3SC=CC3=O)n2C)C1 ZINC001355345529 1181040987 /nfs/dbraw/zinc/04/09/87/1181040987.db2.gz XGTSZENADJHBJT-AAOUONPWSA-N 0 0 318.446 3.432 20 10 DGCDRN Cc1ccc(-c2nnc(N(C)Cc3ccccc3O)n2C)c(C)c1 ZINC001355369211 1181046186 /nfs/dbraw/zinc/04/61/86/1181046186.db2.gz FVPGSLSHACTGMK-UHFFFAOYSA-N 0 0 322.412 3.441 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCOC(C)(C)C1 ZINC001358033796 1181448081 /nfs/dbraw/zinc/44/80/81/1181448081.db2.gz XZGJLCBJUZVPKP-CQSZACIVSA-N 0 0 305.418 3.336 20 10 DGCDRN CCC(CC)(CC(=O)[O-])[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001604992251 1193104177 /nfs/dbraw/zinc/10/41/77/1193104177.db2.gz OTFQUGQFRIWAQL-UHFFFAOYSA-N 0 0 314.376 3.154 20 10 DGCDRN Cn1cnc(/C=C/C(=O)N2CC(C)(C)c3c2cccc3Cl)c1 ZINC001361013714 1181642216 /nfs/dbraw/zinc/64/22/16/1181642216.db2.gz SVFTZSABLPKLEZ-BQYQJAHWSA-N 0 0 315.804 3.411 20 10 DGCDRN Cn1cnc(/C=C\C(=O)N2CC(C)(C)c3c2cccc3Cl)c1 ZINC001361013715 1181642508 /nfs/dbraw/zinc/64/25/08/1181642508.db2.gz SVFTZSABLPKLEZ-FPLPWBNLSA-N 0 0 315.804 3.411 20 10 DGCDRN CCN(C(=O)/C=C\c1cccnc1C)c1ccccc1C(=O)OC ZINC001435117992 1181791442 /nfs/dbraw/zinc/79/14/42/1181791442.db2.gz FHPLRGHBRXJKLM-QXMHVHEDSA-N 0 0 324.380 3.243 20 10 DGCDRN Cc1ccc(CCCNC(=O)Cc2ccc(O)c(O)c2)c(C)c1 ZINC001440643368 1182043049 /nfs/dbraw/zinc/04/30/49/1182043049.db2.gz FADZSAHPDLLSOC-UHFFFAOYSA-N 0 0 313.397 3.006 20 10 DGCDRN CCCCC[C@H](O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC001441911632 1182071679 /nfs/dbraw/zinc/07/16/79/1182071679.db2.gz GGANKFJKXCUCNU-SFHVURJKSA-N 0 0 320.477 3.431 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(O)c1F ZINC001442342508 1182080487 /nfs/dbraw/zinc/08/04/87/1182080487.db2.gz LEQPIMIZHDDBIF-UHFFFAOYSA-N 0 0 316.376 3.260 20 10 DGCDRN CCCC[N@H+](Cc1ccccc1O)[C@H](C(=O)[O-])c1cccnc1 ZINC001605278290 1193139760 /nfs/dbraw/zinc/13/97/60/1193139760.db2.gz XUARASYENLSNAL-KRWDZBQOSA-N 0 0 314.385 3.215 20 10 DGCDRN CC[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001443672421 1182106119 /nfs/dbraw/zinc/10/61/19/1182106119.db2.gz HUXHXDNMGKZGNW-CQSZACIVSA-N 0 0 313.397 3.468 20 10 DGCDRN Cc1ccc(C(=O)N(C)[C@@H](C)Cc2cccs2)c(O)c1O ZINC001445372322 1182144630 /nfs/dbraw/zinc/14/46/30/1182144630.db2.gz UDTJROCTGCJUSD-NSHDSACASA-N 0 0 305.399 3.171 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(Cl)nc2F)c1 ZINC001445968703 1182158538 /nfs/dbraw/zinc/15/85/38/1182158538.db2.gz MWEYCJAJBFHCRA-QMMMGPOBSA-N 0 0 324.739 3.079 20 10 DGCDRN Cc1cc2ccc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cn2c1 ZINC001447565552 1182192550 /nfs/dbraw/zinc/19/25/50/1182192550.db2.gz UODZSHKFXDUXSK-ZDUSSCGKSA-N 0 0 324.380 3.020 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1ccc(F)c2ccccc12 ZINC001451763187 1182274744 /nfs/dbraw/zinc/27/47/44/1182274744.db2.gz AADWQVHFLLIXLE-UHFFFAOYSA-N 0 0 311.312 3.320 20 10 DGCDRN CSCc1cc(C(=O)NCc2ccc(O)cc2O)ccc1F ZINC001451770112 1182274808 /nfs/dbraw/zinc/27/48/08/1182274808.db2.gz PBUWLHUNOVATIA-UHFFFAOYSA-N 0 0 321.373 3.030 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc(O)cc2O)cc1-n1cccc1 ZINC001451772334 1182275197 /nfs/dbraw/zinc/27/51/97/1182275197.db2.gz VLPSNUHGBPHLMB-UHFFFAOYSA-N 0 0 322.364 3.127 20 10 DGCDRN C=CC(=O)Nc1ccc(C(=O)N[C@H](C)c2ccccc2O)cc1 ZINC001454805415 1182353547 /nfs/dbraw/zinc/35/35/47/1182353547.db2.gz JMCYEXKZAAZNRT-GFCCVEGCSA-N 0 0 310.353 3.008 20 10 DGCDRN C[C@H](Oc1cccc(Cl)c1)C(=O)N1Cc2cccc(O)c2C1 ZINC001455036979 1182358791 /nfs/dbraw/zinc/35/87/91/1182358791.db2.gz NGVSNBHVBGUGCD-NSHDSACASA-N 0 0 317.772 3.355 20 10 DGCDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2Cc3cccc(O)c3C2)c1C ZINC001455036961 1182358960 /nfs/dbraw/zinc/35/89/60/1182358960.db2.gz MNTOVNBABFVJLI-UHFFFAOYSA-N 0 0 312.325 3.073 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1ccc(-c2ccco2)s1 ZINC001455318007 1182366748 /nfs/dbraw/zinc/36/67/48/1182366748.db2.gz XIFOFBPNPMGPHZ-UHFFFAOYSA-N 0 0 315.350 3.349 20 10 DGCDRN C[C@H](CC(=O)NCc1cc(O)ccc1O)c1ccc(F)cc1F ZINC001455355641 1182367058 /nfs/dbraw/zinc/36/70/58/1182367058.db2.gz DSKVDMOLROTPFU-SNVBAGLBSA-N 0 0 321.323 3.186 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1sccc1-n1cccc1 ZINC001456082587 1182397245 /nfs/dbraw/zinc/39/72/45/1182397245.db2.gz AZJLWDOXKRXCKG-UHFFFAOYSA-N 0 0 316.357 3.314 20 10 DGCDRN CCOc1cc(Cl)ccc1C(=O)NCc1c(O)cccc1O ZINC001456235904 1182407550 /nfs/dbraw/zinc/40/75/50/1182407550.db2.gz PJZXKLXJHJGCHW-UHFFFAOYSA-N 0 0 321.760 3.080 20 10 DGCDRN Cc1ccc(C(=O)NCc2c(O)ccc3ccccc32)c(O)c1 ZINC001456312194 1182409846 /nfs/dbraw/zinc/40/98/46/1182409846.db2.gz ZZSQLTGCCCNAGX-UHFFFAOYSA-N 0 0 307.349 3.489 20 10 DGCDRN CCOc1ccc(C[N@@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c(O)c1 ZINC001605690666 1193164380 /nfs/dbraw/zinc/16/43/80/1193164380.db2.gz MXVGHUYWIPCSOL-CQSZACIVSA-N 0 0 321.417 3.114 20 10 DGCDRN COC(=O)c1cnc(Sc2cc(C)ccc2[N+](=O)[O-])s1 ZINC001458391824 1182520116 /nfs/dbraw/zinc/52/01/16/1182520116.db2.gz KFDNLEPYCTXAID-UHFFFAOYSA-N 0 0 310.356 3.298 20 10 DGCDRN COc1ccc(N(CCc2ccccc2)Cc2ncnn2C)cc1 ZINC001459718646 1182609630 /nfs/dbraw/zinc/60/96/30/1182609630.db2.gz UUCSXQHFGSOTII-UHFFFAOYSA-N 0 0 322.412 3.073 20 10 DGCDRN COC(=O)c1ccoc1CN(CC1CC1)c1ccc(OC)cc1 ZINC001460132279 1182655981 /nfs/dbraw/zinc/65/59/81/1182655981.db2.gz TUERRGNEDGQZRZ-UHFFFAOYSA-N 0 0 315.369 3.491 20 10 DGCDRN COc1ccc(N(C)CC(=O)Nc2ccc(SC)cc2)cc1 ZINC001460337636 1182678964 /nfs/dbraw/zinc/67/89/64/1182678964.db2.gz WWIXIQXXPOHEAP-UHFFFAOYSA-N 0 0 316.426 3.492 20 10 DGCDRN CCOc1ccc(N(CC2CC2)C[C@H]2COC(C)(C)O2)cc1 ZINC001460629796 1182702408 /nfs/dbraw/zinc/70/24/08/1182702408.db2.gz XGOWMHVSULVMFC-KRWDZBQOSA-N 0 0 305.418 3.453 20 10 DGCDRN CCc1cccc(C[NH2+][C@@H](C(=O)[O-])c2cc(C)cc(C)c2)c1O ZINC001605828824 1193177271 /nfs/dbraw/zinc/17/72/71/1193177271.db2.gz OEWWPPVSMMRSBR-QGZVFWFLSA-N 0 0 313.397 3.487 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCCCOc2ccccc2)c1 ZINC001461031544 1182758045 /nfs/dbraw/zinc/75/80/45/1182758045.db2.gz NEFCQTPKHWIHDR-UHFFFAOYSA-N 0 0 316.357 3.249 20 10 DGCDRN CN(C)c1ccc(/C=C/CNc2cccc(-n3ccnn3)c2)cc1 ZINC001461348063 1182798131 /nfs/dbraw/zinc/79/81/31/1182798131.db2.gz WKZVHUSUVSHWKC-SNAWJCMRSA-N 0 0 319.412 3.459 20 10 DGCDRN CNC(=O)Oc1cccc(NCc2cc(F)cc(F)c2O)c1 ZINC001461527943 1182824812 /nfs/dbraw/zinc/82/48/12/1182824812.db2.gz ITRPQEGEPKQSJH-UHFFFAOYSA-N 0 0 308.284 3.001 20 10 DGCDRN Cc1ccc(NCC[NH2+]Cc2c([O-])ccc(Cl)c2F)nc1 ZINC001461774718 1182852533 /nfs/dbraw/zinc/85/25/33/1182852533.db2.gz DMISODDCWGIRRY-UHFFFAOYSA-N 0 0 309.772 3.090 20 10 DGCDRN COc1cc(C)c(CNc2cccc(-c3n[nH]c(C)n3)c2)c(O)c1 ZINC001461979099 1182888779 /nfs/dbraw/zinc/88/87/79/1182888779.db2.gz OLACXTNYUGIHCT-UHFFFAOYSA-N 0 0 324.384 3.415 20 10 DGCDRN CC(C)c1ccc(O)c(CNCc2ncnn2C(C)(C)C)c1 ZINC001462154913 1182915412 /nfs/dbraw/zinc/91/54/12/1182915412.db2.gz SZKHUTBQGLIXON-UHFFFAOYSA-N 0 0 302.422 3.152 20 10 DGCDRN COc1cc(C)c(CNc2ccc(OCCCO)cc2)c(O)c1 ZINC001462221372 1182925308 /nfs/dbraw/zinc/92/53/08/1182925308.db2.gz MKUATMOKUHJGGG-UHFFFAOYSA-N 0 0 317.385 3.083 20 10 DGCDRN CCc1cccc(CN2Cc3ccccc3NC(=O)[C@@H]2C)c1O ZINC001462520420 1182963772 /nfs/dbraw/zinc/96/37/72/1182963772.db2.gz ZMDACYIQWNBXPU-ZDUSSCGKSA-N 0 0 310.397 3.297 20 10 DGCDRN Cn1cc(CC[NH2+]Cc2ccc(Cl)cc2[O-])c2cccnc21 ZINC001462518485 1182964194 /nfs/dbraw/zinc/96/41/94/1182964194.db2.gz VOBFNQJRYXXYDT-UHFFFAOYSA-N 0 0 315.804 3.265 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccccc1[N+](=O)[O-] ZINC001462556588 1182969150 /nfs/dbraw/zinc/96/91/50/1182969150.db2.gz UYECWLQTQIEYGU-VIFPVBQESA-N 0 0 308.284 3.429 20 10 DGCDRN C[N@H+](Cc1cccc(Cl)c1[O-])[C@H](C(=O)[O-])c1ccccc1 ZINC001606164927 1193192535 /nfs/dbraw/zinc/19/25/35/1193192535.db2.gz PSQQCFRULNACDP-AWEZNQCLSA-N 0 0 305.761 3.303 20 10 DGCDRN Cc1nc2ccc(C(=O)NCc3cccc(Cl)c3O)cc2o1 ZINC001606868966 1193206432 /nfs/dbraw/zinc/20/64/32/1193206432.db2.gz TVUKXUIRHFQQJC-UHFFFAOYSA-N 0 0 316.744 3.425 20 10 DGCDRN O=C(NCc1ccccc1O)c1cccc2[nH]c(C(F)F)nc21 ZINC001465990591 1183181002 /nfs/dbraw/zinc/18/10/02/1183181002.db2.gz OFDFKFNCKNEWFC-UHFFFAOYSA-N 0 0 317.295 3.136 20 10 DGCDRN CC[C@H](C)c1ncc(NC(=O)NCc2ccccc2O)cn1 ZINC001466322888 1183199008 /nfs/dbraw/zinc/19/90/08/1183199008.db2.gz HQUAKAPXLZWKRP-NSHDSACASA-N 0 0 300.362 3.017 20 10 DGCDRN O=C(Nc1ccccc1[C@H](O)C(F)(F)F)C1=CC(=O)CS1 ZINC001466471104 1183207549 /nfs/dbraw/zinc/20/75/49/1183207549.db2.gz PKCKQRHHBCRBKH-NSHDSACASA-N 0 0 317.288 3.302 20 10 DGCDRN O=C(NCCc1cccc(F)c1)NCc1cc(Cl)ccc1O ZINC001468290860 1183323614 /nfs/dbraw/zinc/32/36/14/1183323614.db2.gz UPRJTFOBGATZOG-UHFFFAOYSA-N 0 0 322.767 3.227 20 10 DGCDRN CC(C)[C@@]1(C)C[C@@H]1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC001468321504 1183326045 /nfs/dbraw/zinc/32/60/45/1183326045.db2.gz TVPYBNFSYUEUJD-PKOBYXMFSA-N 0 0 315.461 3.303 20 10 DGCDRN C[C@H]1CCc2ccccc2[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001546172187 1183384304 /nfs/dbraw/zinc/38/43/04/1183384304.db2.gz PFAJOSRXSYWNBQ-HXPMCKFVSA-N 0 0 311.381 3.080 20 10 DGCDRN O=C(/C=C\c1ccc(Cl)cc1)NCc1ccc(O)cc1O ZINC001469161143 1183387683 /nfs/dbraw/zinc/38/76/83/1183387683.db2.gz HNJQPBNAJCYVSC-BAQGIRSFSA-N 0 0 303.745 3.081 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cc(C)c3ccccc3n2)c1 ZINC001470255386 1183473503 /nfs/dbraw/zinc/47/35/03/1183473503.db2.gz VCJIQZKPCGFPQQ-UHFFFAOYSA-N 0 0 306.365 3.487 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Cc2cccc3ncccc23)c1 ZINC001470258085 1183473770 /nfs/dbraw/zinc/47/37/70/1183473770.db2.gz OESORHHTYOWNBE-UHFFFAOYSA-N 0 0 306.365 3.108 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC/C=C/C1CC1 ZINC001470343812 1183479827 /nfs/dbraw/zinc/47/98/27/1183479827.db2.gz QZDXHWYUTGTXHA-NFAHFFEMSA-N 0 0 315.461 3.257 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCC2CCC3(CC3)CC2)c1 ZINC001470957672 1183528566 /nfs/dbraw/zinc/52/85/66/1183528566.db2.gz VETQFXGPLAPJNW-UHFFFAOYSA-N 0 0 302.418 3.470 20 10 DGCDRN C[C@@H](NC(=O)c1cccc(OC(C)(C)C)n1)c1ccccc1O ZINC001471195084 1183545262 /nfs/dbraw/zinc/54/52/62/1183545262.db2.gz BFKWHXIMRHIUCV-GFCCVEGCSA-N 0 0 314.385 3.456 20 10 DGCDRN COc1cc(F)c(C(=O)N[C@H](C)c2ccccc2O)c(F)c1 ZINC001471195073 1183545374 /nfs/dbraw/zinc/54/53/74/1183545374.db2.gz AXDQHQDSQWZSOT-SECBINFHSA-N 0 0 307.296 3.170 20 10 DGCDRN C[C@H](NC(=O)[C@@H](O)c1ccc(Cl)cc1F)c1ccccc1O ZINC001471194193 1183545483 /nfs/dbraw/zinc/54/54/83/1183545483.db2.gz FKSIJACMCPCPRU-VFZGTOFNSA-N 0 0 323.751 3.096 20 10 DGCDRN C[C@H](NC(=O)[C@@H](c1ccccc1)n1cccn1)c1ccccc1O ZINC001471194405 1183545502 /nfs/dbraw/zinc/54/55/02/1183545502.db2.gz JZPJMRDTFBPEQK-KBXCAEBGSA-N 0 0 321.380 3.056 20 10 DGCDRN C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1)c1ccccc1O ZINC001471195484 1183545685 /nfs/dbraw/zinc/54/56/85/1183545685.db2.gz YIEVWEYLCOYHEO-LBPRGKRZSA-N 0 0 307.353 3.273 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1ccc(Cl)c2occc21 ZINC001471641936 1183580067 /nfs/dbraw/zinc/58/00/67/1183580067.db2.gz CGUOELNLEWRUPN-UHFFFAOYSA-N 0 0 317.728 3.427 20 10 DGCDRN Cc1nc2ccccc2cc1C(=O)NCc1c(O)cccc1F ZINC001471976028 1183604142 /nfs/dbraw/zinc/60/41/42/1183604142.db2.gz PRPMCPQXYCNJCU-UHFFFAOYSA-N 0 0 310.328 3.318 20 10 DGCDRN O=C(NCc1c(O)cccc1O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001472063111 1183612337 /nfs/dbraw/zinc/61/23/37/1183612337.db2.gz CWGGYZQIAZEHGJ-HUUCEWRRSA-N 0 0 311.381 3.298 20 10 DGCDRN O=C(CCc1ccncc1)NCc1c(O)ccc2ccccc21 ZINC001472085875 1183614156 /nfs/dbraw/zinc/61/41/56/1183614156.db2.gz BMRBQHOJPNQJTI-UHFFFAOYSA-N 0 0 306.365 3.189 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cccn2nccc12 ZINC001472084964 1183614755 /nfs/dbraw/zinc/61/47/55/1183614755.db2.gz IUVLDGXBYIWPLH-UHFFFAOYSA-N 0 0 317.348 3.123 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC001472163089 1183622244 /nfs/dbraw/zinc/62/22/44/1183622244.db2.gz LKFJGWQWWPYHSX-VMSUTVGLSA-N 0 0 323.392 3.345 20 10 DGCDRN Cc1c(C(=O)[O-])cc(C[NH2+]Cc2cc(C(C)C)ccc2O)n1C ZINC001607516547 1193234326 /nfs/dbraw/zinc/23/43/26/1193234326.db2.gz APOFWBCGQSNDGQ-UHFFFAOYSA-N 0 0 316.401 3.151 20 10 DGCDRN O=C(NCc1cccc(OC(F)(F)F)c1)C1=CC(=O)CS1 ZINC001607524779 1193235290 /nfs/dbraw/zinc/23/52/90/1193235290.db2.gz GECOODCGYLJGKP-UHFFFAOYSA-N 0 0 317.288 3.282 20 10 DGCDRN CN(C(=O)CSc1ncc(Cl)s1)c1nccs1 ZINC001473066769 1183712387 /nfs/dbraw/zinc/71/23/87/1183712387.db2.gz QGQQFOFOKISHSE-UHFFFAOYSA-N 0 0 305.837 3.008 20 10 DGCDRN CCc1nc(CN2C[C@@H](C(C)C)Cc3cc(OC)ccc32)no1 ZINC001473570681 1183774590 /nfs/dbraw/zinc/77/45/90/1183774590.db2.gz ZTODUARHGJTBLL-AWEZNQCLSA-N 0 0 315.417 3.476 20 10 DGCDRN CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)N1Cc1ccc(N(C)CC)cc1 ZINC001473906790 1183824160 /nfs/dbraw/zinc/82/41/60/1183824160.db2.gz QZMXNKVASZRLQB-JQHSSLGASA-N 0 0 316.445 3.059 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNc1ccc(OCCO)cc1 ZINC001474046299 1183857923 /nfs/dbraw/zinc/85/79/23/1183857923.db2.gz BUCZTHHNWKESFE-UHFFFAOYSA-N 0 0 310.397 3.470 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC001474160364 1183876320 /nfs/dbraw/zinc/87/63/20/1183876320.db2.gz GIWMUCGBYMFWSS-CQSZACIVSA-N 0 0 313.731 3.147 20 10 DGCDRN Cc1cc(O)c(C[NH+]2CCC(CCC(=O)[O-])CC2)c(Cl)c1 ZINC001607700158 1193249712 /nfs/dbraw/zinc/24/97/12/1193249712.db2.gz VAODMJFJFRVPJC-UHFFFAOYSA-N 0 0 311.809 3.431 20 10 DGCDRN [O-]c1cc(Cl)ccc1C[NH2+]CCc1ccc2c(c1)CCO2 ZINC001474441041 1183921762 /nfs/dbraw/zinc/92/17/62/1183921762.db2.gz CNBPOINGRSLWBR-UHFFFAOYSA-N 0 0 303.789 3.313 20 10 DGCDRN CCc1cccc(CNc2ccc(OC)c(NC(N)=O)c2)c1O ZINC001474489638 1183929868 /nfs/dbraw/zinc/92/98/68/1183929868.db2.gz DWAOAJNGSFPJFM-UHFFFAOYSA-N 0 0 315.373 3.066 20 10 DGCDRN Cn1cc(CC[NH2+]Cc2cc(F)c(F)cc2[O-])c2ccccc21 ZINC001474631944 1183952175 /nfs/dbraw/zinc/95/21/75/1183952175.db2.gz PRYVQOSHJMEWFD-UHFFFAOYSA-N 0 0 316.351 3.494 20 10 DGCDRN O=C1COc2cccc(NCc3cc(Cl)c(F)cc3O)c2N1 ZINC001474681081 1183960730 /nfs/dbraw/zinc/96/07/30/1183960730.db2.gz WAXIFKVTYQIORX-UHFFFAOYSA-N 0 0 322.723 3.128 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccc([N+](=O)[O-])cc1 ZINC001474707078 1183965771 /nfs/dbraw/zinc/96/57/71/1183965771.db2.gz WYEZBVXEQOILRD-VIFPVBQESA-N 0 0 308.284 3.429 20 10 DGCDRN COc1ccccc1NC[C@@H](O)COc1ccc(Cl)cc1 ZINC000005586887 1193256119 /nfs/dbraw/zinc/25/61/19/1193256119.db2.gz IKYGFXICZJTZGC-CYBMUJFWSA-N 0 0 307.777 3.200 20 10 DGCDRN Cc1ccc(O)c(C[NH2+]Cc2cc(C(=O)[O-])ccc2Cl)c1 ZINC001607811359 1193259542 /nfs/dbraw/zinc/25/95/42/1193259542.db2.gz JCWFXGDJRIZLLN-UHFFFAOYSA-N 0 0 305.761 3.342 20 10 DGCDRN CC/C=C\CNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001476769019 1184050339 /nfs/dbraw/zinc/05/03/39/1184050339.db2.gz YBANMNIMCCJLDP-UTCJRWHESA-N 0 0 321.384 3.484 20 10 DGCDRN C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1(C)C ZINC001477652286 1184103766 /nfs/dbraw/zinc/10/37/66/1184103766.db2.gz KTGTYZMODLVLDI-CYBMUJFWSA-N 0 0 321.440 3.469 20 10 DGCDRN O=C(NCc1ccc2occc2c1)NCc1c(O)cccc1F ZINC001478942259 1184188873 /nfs/dbraw/zinc/18/88/73/1184188873.db2.gz XJQSXHMRYBQZDH-UHFFFAOYSA-N 0 0 314.316 3.277 20 10 DGCDRN C[C@H]1[C@@H](C(=O)[O-])CC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC001609833673 1193359212 /nfs/dbraw/zinc/35/92/12/1193359212.db2.gz LSQYKYHAYUGHEQ-GUYCJALGSA-N 0 0 311.381 3.354 20 10 DGCDRN C[C@H]1[C@H](C(=O)[O-])CC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC001609833677 1193359408 /nfs/dbraw/zinc/35/94/08/1193359408.db2.gz LSQYKYHAYUGHEQ-SUMWQHHRSA-N 0 0 311.381 3.354 20 10 DGCDRN CCCCC[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C(=O)[O-] ZINC001609967282 1193369691 /nfs/dbraw/zinc/36/96/91/1193369691.db2.gz OZWYYINJCQEGDO-QGZVFWFLSA-N 0 0 304.434 3.410 20 10 DGCDRN CCCN(Cc1cc(C(=O)[O-])c(CC)o1)c1ccc(C[NH3+])cc1 ZINC001609977887 1193370477 /nfs/dbraw/zinc/37/04/77/1193370477.db2.gz PGTJNKKZZFFGFK-UHFFFAOYSA-N 0 0 316.401 3.416 20 10 DGCDRN COC1CCC(CC[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)CC1 ZINC001610234700 1193379492 /nfs/dbraw/zinc/37/94/92/1193379492.db2.gz QJYZUJMVYSNHBO-OPFPJEHXSA-N 0 0 321.417 3.336 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[C@@H](CC(=O)[O-])[C@H]1C ZINC001610466130 1193390983 /nfs/dbraw/zinc/39/09/83/1193390983.db2.gz DTNDTDHEXVTJMP-JKIFEVAISA-N 0 0 304.434 3.040 20 10 DGCDRN Cc1ccc([C@@H]([NH2+]Cc2cc(F)ccc2O)C(=O)[O-])cc1C ZINC001610495662 1193393298 /nfs/dbraw/zinc/39/32/98/1193393298.db2.gz RMUMPVPGDIAMEE-MRXNPFEDSA-N 0 0 303.333 3.064 20 10 DGCDRN CC(C)c1nnc(N(C)Cc2ccccc2O)n1[C@H]1C[C@@H]1C ZINC001508915374 1186526037 /nfs/dbraw/zinc/52/60/37/1186526037.db2.gz LNHBPDGHXWOMFL-JSGCOSHPSA-N 0 0 300.406 3.324 20 10 DGCDRN CC(C)CC[C@H]1CCC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001611413260 1193433115 /nfs/dbraw/zinc/43/31/15/1193433115.db2.gz VNHDMVPMDYVYII-HUUCEWRRSA-N 0 0 305.418 3.361 20 10 DGCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)c2nccs2)cc1 ZINC001612212030 1193448505 /nfs/dbraw/zinc/44/85/05/1193448505.db2.gz XYUFLVKLJKWISZ-INIZCTEOSA-N 0 0 317.458 3.395 20 10 DGCDRN Cn1c(C2SC=CC2=O)nnc1N1CCCC2(CCCC2)C1 ZINC001519512429 1186879188 /nfs/dbraw/zinc/87/91/88/1186879188.db2.gz XVRUAQYCUMCKQC-UHFFFAOYSA-N 0 0 318.446 3.410 20 10 DGCDRN CN(C(=O)/C=C\c1ccc(Cl)nc1)c1ccc(Cl)nc1 ZINC001519914611 1186902704 /nfs/dbraw/zinc/90/27/04/1186902704.db2.gz ZHQANUBRBGPOFO-CLTKARDFSA-N 0 0 308.168 3.460 20 10 DGCDRN CC(C)c1oncc1C(=O)NCCCSc1nccs1 ZINC001520987128 1186986580 /nfs/dbraw/zinc/98/65/80/1186986580.db2.gz QQTZIRTVENICBS-UHFFFAOYSA-N 0 0 311.432 3.167 20 10 DGCDRN COC(=O)/C=C\c1ccc(N(C)C[C@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC001612651458 1193458912 /nfs/dbraw/zinc/45/89/12/1193458912.db2.gz ZKKMOQKLHXSHOR-FWPCIQOSSA-N 0 0 318.373 3.263 20 10 DGCDRN C[C@@H]1CCc2c(C(=O)NCc3cccc(O)c3O)csc2C1 ZINC001521851648 1187052159 /nfs/dbraw/zinc/05/21/59/1187052159.db2.gz OYAXAMCKSIGUNQ-SNVBAGLBSA-N 0 0 317.410 3.214 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccc(F)cn1 ZINC001523553682 1187171418 /nfs/dbraw/zinc/17/14/18/1187171418.db2.gz NESPJRIDUWTTJH-UHFFFAOYSA-N 0 0 313.376 3.093 20 10 DGCDRN CC[C@](C)(OC)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001525106906 1187296927 /nfs/dbraw/zinc/29/69/27/1187296927.db2.gz ODVSJQPBJJPXBZ-SFHVURJKSA-N 0 0 304.434 3.060 20 10 DGCDRN Cn1cc(/C=C\C(=O)N2CCc3cccc(C(F)(F)F)c32)cn1 ZINC001525696961 1187327111 /nfs/dbraw/zinc/32/71/11/1187327111.db2.gz JCLVKERVYLRKGX-WAYWQWQTSA-N 0 0 321.302 3.041 20 10 DGCDRN CC(C)CN(C(=O)/C=C/c1cncc(F)c1)c1ccc(F)cn1 ZINC001527093912 1187410166 /nfs/dbraw/zinc/41/01/66/1187410166.db2.gz AHNJMHFPWVAZGE-ZZXKWVIFSA-N 0 0 317.339 3.457 20 10 DGCDRN Cc1ncccc1/C=C\C(=O)N1CCOc2c(F)ccc(F)c21 ZINC001527647766 1187440951 /nfs/dbraw/zinc/44/09/51/1187440951.db2.gz VOGAVJSWQZPVGP-DAXSKMNVSA-N 0 0 316.307 3.107 20 10 DGCDRN CC(C)(C(=O)NCc1ccc2cccnc2c1O)C(F)(F)F ZINC001528501153 1187494433 /nfs/dbraw/zinc/49/44/33/1187494433.db2.gz DDRILRPVAQZRTO-UHFFFAOYSA-N 0 0 312.291 3.145 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@H]1Cc2ccccc2O1 ZINC001530833965 1187648902 /nfs/dbraw/zinc/64/89/02/1187648902.db2.gz ZFMRRQHHXGFHEV-GOSISDBHSA-N 0 0 324.424 3.071 20 10 DGCDRN COc1ccc(Cl)cc1N(C)C(=O)/C=C(\C)c1cnccn1 ZINC001530894642 1187651751 /nfs/dbraw/zinc/65/17/51/1187651751.db2.gz ZULNZGMAHWPIIV-DHZHZOJOSA-N 0 0 317.776 3.205 20 10 DGCDRN CCO[C@@H](C)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001531612324 1187699220 /nfs/dbraw/zinc/69/92/20/1187699220.db2.gz PQNNCOZTHNMLEJ-INIZCTEOSA-N 0 0 314.429 3.444 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H]1CC=CCC1 ZINC001532654980 1187775109 /nfs/dbraw/zinc/77/51/09/1187775109.db2.gz HTIUTBCNJSEXAQ-CQSZACIVSA-N 0 0 300.402 3.224 20 10 DGCDRN Cc1ncccc1/C=C\C(=O)N1CCOc2ccc(Cl)cc21 ZINC001532997855 1187800948 /nfs/dbraw/zinc/80/09/48/1187800948.db2.gz CVRLDRLYAUQRTK-DAXSKMNVSA-N 0 0 314.772 3.482 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)cc1 ZINC001534246034 1187885169 /nfs/dbraw/zinc/88/51/69/1187885169.db2.gz RCNDOYILPKZRDA-BVPBIZIASA-N 0 0 300.446 3.441 20 10 DGCDRN COC(=O)CN(CCC1CCC1)Cc1cc(Cl)ccc1O ZINC001615935607 1193531222 /nfs/dbraw/zinc/53/12/22/1193531222.db2.gz QYSWNEPVGVCQFC-UHFFFAOYSA-N 0 0 311.809 3.211 20 10 DGCDRN CCN(C(=O)/C=C/c1cn(C)cn1)c1ccc(Cl)cc1F ZINC001539878839 1188207527 /nfs/dbraw/zinc/20/75/27/1188207527.db2.gz FGVAGOSMDOOCGY-FNORWQNLSA-N 0 0 307.756 3.279 20 10 DGCDRN CN(Cc1ccc(F)cc1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001540352238 1188234170 /nfs/dbraw/zinc/23/41/70/1188234170.db2.gz FNSAWSJRVPSFLZ-UHFFFAOYSA-N 0 0 314.320 3.260 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NCCCc2ccccc2)cc1 ZINC001540385642 1188236420 /nfs/dbraw/zinc/23/64/20/1188236420.db2.gz IBCBDGWLBDPHJX-UHFFFAOYSA-N 0 0 310.357 3.212 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)[C@]2(O)CCCC(C)(C)C2)cc1 ZINC001540518226 1188243781 /nfs/dbraw/zinc/24/37/81/1188243781.db2.gz FTVNIAXFYBRBJT-IBGZPJMESA-N 0 0 318.461 3.042 20 10 DGCDRN C[C@H](NC(=O)Cc1cc(F)ccc1O)c1ccc(N(C)C)cc1 ZINC001616834957 1193549035 /nfs/dbraw/zinc/54/90/35/1193549035.db2.gz PABOBLGJBJGUJS-LBPRGKRZSA-N 0 0 316.376 3.017 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N(Cc2cccnc2)C2CC2)cc1 ZINC001540711643 1188256569 /nfs/dbraw/zinc/25/65/69/1188256569.db2.gz ZKSWQUIVUVVAOV-UHFFFAOYSA-N 0 0 323.356 3.049 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@H]2C[C@H]2C)c1 ZINC001540817789 1188263701 /nfs/dbraw/zinc/26/37/01/1188263701.db2.gz FOQAFBKGAQUIQA-MLGOLLRUSA-N 0 0 310.397 3.292 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCCSc2ccccc21 ZINC001542586547 1188289641 /nfs/dbraw/zinc/28/96/41/1188289641.db2.gz RLUHRCKGQBMOAP-UHFFFAOYSA-N 0 0 301.367 3.240 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](C)[C@H]2CCCO2)cc1F ZINC001543251563 1188324323 /nfs/dbraw/zinc/32/43/23/1188324323.db2.gz SOCBEOFELISKDM-SUMWQHHRSA-N 0 0 322.424 3.103 20 10 DGCDRN CN(C(=O)Cc1ccc(O)c(O)c1)c1cccc2ccccc21 ZINC001543911627 1188369278 /nfs/dbraw/zinc/36/92/78/1188369278.db2.gz MVHYOJDYKIHYID-UHFFFAOYSA-N 0 0 307.349 3.457 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)OCc2nncs2)cc1 ZINC001544476969 1188395257 /nfs/dbraw/zinc/39/52/57/1188395257.db2.gz XCDMQBYFJKNAOJ-UHFFFAOYSA-N 0 0 313.382 3.303 20 10 DGCDRN CCC/C=C/[C@@H](O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC001544884437 1188413732 /nfs/dbraw/zinc/41/37/32/1188413732.db2.gz FTMMRKLCKLTSRE-GFOMBABLSA-N 0 0 318.461 3.207 20 10 DGCDRN C[C@H]1CN(C(=O)/C=C/c2cccnc2)c2cc(F)c(F)cc2O1 ZINC001617199882 1193561272 /nfs/dbraw/zinc/56/12/72/1193561272.db2.gz LKYZXORJINQMGF-ZWNMCFTASA-N 0 0 316.307 3.187 20 10 DGCDRN CC[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CC1(C)C ZINC001563609555 1188452487 /nfs/dbraw/zinc/45/24/87/1188452487.db2.gz DWKHOWJYOMRTPQ-JKSUJKDBSA-N 0 0 303.450 3.377 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCCC[C@@H]1c1ccccc1 ZINC001556099416 1188984337 /nfs/dbraw/zinc/98/43/37/1188984337.db2.gz PUTFOWYOMCNQGP-MRXNPFEDSA-N 0 0 311.381 3.394 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc2ccncc21 ZINC001556157408 1188987742 /nfs/dbraw/zinc/98/77/42/1188987742.db2.gz AROFRUWSLRKBRK-LBPRGKRZSA-N 0 0 322.364 3.007 20 10 DGCDRN Cc1cccc2c1N(C1CC1)CCN2C(=O)c1cccc(O)c1O ZINC001556244526 1188991664 /nfs/dbraw/zinc/99/16/64/1188991664.db2.gz ISICIMZYNRGZHU-UHFFFAOYSA-N 0 0 324.380 3.035 20 10 DGCDRN Cc1ccc(C2(CNC(=O)c3cccc(O)c3O)CC2)c(C)c1 ZINC001556791442 1189020893 /nfs/dbraw/zinc/02/08/93/1189020893.db2.gz PHZPKPQSQIEQQH-UHFFFAOYSA-N 0 0 311.381 3.176 20 10 DGCDRN CSc1cc(NC(=O)NCc2cccc(Cl)c2O)ccn1 ZINC001563084492 1189042744 /nfs/dbraw/zinc/04/27/44/1189042744.db2.gz IXFYTUISTXJFRI-UHFFFAOYSA-N 0 0 323.805 3.484 20 10 DGCDRN COc1cc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)[nH]n1 ZINC001557509568 1189068457 /nfs/dbraw/zinc/06/84/57/1189068457.db2.gz BLJCPMWIGOMQED-UHFFFAOYSA-N 0 0 324.384 3.387 20 10 DGCDRN Cc1ccc(CCC(=O)NCc2c(O)cccc2F)c(C)c1 ZINC001558454233 1189126398 /nfs/dbraw/zinc/12/63/98/1189126398.db2.gz BZUQLINHQKNXDT-UHFFFAOYSA-N 0 0 301.361 3.397 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1ccsc1C(F)F ZINC001558456823 1189126522 /nfs/dbraw/zinc/12/65/22/1189126522.db2.gz FTSNHUIJPIAZMT-UHFFFAOYSA-N 0 0 301.289 3.460 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)[C@]12CCC[C@H]1OCC2 ZINC001558554231 1189132996 /nfs/dbraw/zinc/13/29/96/1189132996.db2.gz GGAUDXXMPGZEOG-MJGOQNOKSA-N 0 0 311.381 3.121 20 10 DGCDRN C[C@H](CN(C)C(=O)c1c(F)ccc(O)c1O)c1ccccc1 ZINC001558925439 1189157217 /nfs/dbraw/zinc/15/72/17/1189157217.db2.gz JZZDBCQRSQDWKI-LLVKDONJSA-N 0 0 303.333 3.113 20 10 DGCDRN O=C(c1c(F)ccc(O)c1O)N1CCc2ccc(Cl)cc2C1 ZINC001558959933 1189159712 /nfs/dbraw/zinc/15/97/12/1189159712.db2.gz OWAYILVIJMSMPB-UHFFFAOYSA-N 0 0 321.735 3.089 20 10 DGCDRN COC(=O)c1cc(OCCCOC(C)(C)C)ccc1N(C)C ZINC001559456646 1189206778 /nfs/dbraw/zinc/20/67/78/1189206778.db2.gz JICMIHCNPACGCS-UHFFFAOYSA-N 0 0 309.406 3.123 20 10 DGCDRN CCOCCOCCN1CCCc2cc(OC(F)F)ccc21 ZINC001559605435 1189222557 /nfs/dbraw/zinc/22/25/57/1189222557.db2.gz RPPPUHBSYUUGGP-UHFFFAOYSA-N 0 0 315.360 3.094 20 10 DGCDRN FC(F)Oc1ccc2c(c1)CCCN2C[C@@H]1C[C@@]12CCOC2 ZINC001559605502 1189223305 /nfs/dbraw/zinc/22/33/05/1189223305.db2.gz UJKBZWHBUXVBNO-SUMWQHHRSA-N 0 0 309.356 3.467 20 10 DGCDRN CON(Cc1ccc(C)o1)Cc1cc(F)cc(C(C)=O)c1O ZINC001560158054 1189285042 /nfs/dbraw/zinc/28/50/42/1189285042.db2.gz AAGDSMPQJKMSIH-UHFFFAOYSA-N 0 0 307.321 3.199 20 10 DGCDRN CNC(=O)c1ccc(C)c(NCc2cc(Cl)cc(F)c2O)c1 ZINC001560385898 1189321806 /nfs/dbraw/zinc/32/18/06/1189321806.db2.gz DYMXZAKLEZAOIZ-UHFFFAOYSA-N 0 0 322.767 3.465 20 10 DGCDRN CC(C)OC(=O)[C@@H](NC/C=C\c1ccc(N(C)C)cc1)C(C)C ZINC001560481069 1189332571 /nfs/dbraw/zinc/33/25/71/1189332571.db2.gz WXRBGPFTVLGZSH-ZEVQVBBLSA-N 0 0 318.461 3.332 20 10 DGCDRN O=c1oc2ccc(C[NH2+]Cc3cccc(Cl)c3[O-])cc2o1 ZINC001560616181 1189348837 /nfs/dbraw/zinc/34/88/37/1189348837.db2.gz RRJNEXRILXEKKT-UHFFFAOYSA-N 0 0 305.717 3.035 20 10 DGCDRN CC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)C(F)(F)F ZINC001560626214 1189350771 /nfs/dbraw/zinc/35/07/71/1189350771.db2.gz GGVMJFLFMIAVQX-CQSZACIVSA-N 0 0 320.330 3.093 20 10 DGCDRN COC(=O)c1c(CN2CC=C(C)CC2)c2cc(F)ccc2n1C ZINC001560685534 1189360799 /nfs/dbraw/zinc/36/07/99/1189360799.db2.gz SZSVMGLJGHTFLH-UHFFFAOYSA-N 0 0 316.376 3.256 20 10 DGCDRN COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(F)c(F)cc2[O-])c1 ZINC001560815242 1189386219 /nfs/dbraw/zinc/38/62/19/1189386219.db2.gz UYACHNFBBFFYKP-VIFPVBQESA-N 0 0 309.312 3.235 20 10 DGCDRN CC[C@@H](COCC(F)(F)F)[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001560849885 1189393465 /nfs/dbraw/zinc/39/34/65/1189393465.db2.gz ZYTAFUOYNUUTQH-VIFPVBQESA-N 0 0 313.266 3.118 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001657195286 1196116701 /nfs/dbraw/zinc/11/67/01/1196116701.db2.gz YQHOKLASSHJIQB-IUODEOHRSA-N 0 0 316.367 3.213 20 10 DGCDRN Cc1cc(O)c(C[N@@H+]2CCCCCCNC(=O)CC2)c(Cl)c1 ZINC001560964339 1189411787 /nfs/dbraw/zinc/41/17/87/1189411787.db2.gz JLHLIRDCFDMIHI-UHFFFAOYSA-N 0 0 324.852 3.236 20 10 DGCDRN CC[C@@H](NC(=O)NCc1cccc(Cl)c1O)C(F)(F)F ZINC001563406678 1189511879 /nfs/dbraw/zinc/51/18/79/1189511879.db2.gz NMPDUIWZEVIPNQ-SECBINFHSA-N 0 0 310.703 3.186 20 10 DGCDRN CN1CCCc2cc(CNC(=O)NCC3CC(C)(C)C3)ccc21 ZINC001563792235 1189534722 /nfs/dbraw/zinc/53/47/22/1189534722.db2.gz NCNOPZIVVMJLCM-UHFFFAOYSA-N 0 0 315.461 3.304 20 10 DGCDRN C[C@H](NC(=O)NCCc1cc(F)cc(F)c1)c1ccccc1O ZINC001563904779 1189540154 /nfs/dbraw/zinc/54/01/54/1189540154.db2.gz KEEPAMMLYYSVLA-NSHDSACASA-N 0 0 320.339 3.273 20 10 DGCDRN O=C(NCc1ccccc1O)NC[C@@H]1CSc2ccccc21 ZINC001564813395 1189598724 /nfs/dbraw/zinc/59/87/24/1189598724.db2.gz JQLGYRDRJJLYDN-CYBMUJFWSA-N 0 0 314.410 3.081 20 10 DGCDRN CC[C@@H]1CCN(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC001564945761 1189609476 /nfs/dbraw/zinc/60/94/76/1189609476.db2.gz UGHWNTWBBBTEBX-JKSUJKDBSA-N 0 0 317.477 3.434 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC[C@H]2C[C@@H]2Cc2ccccc2)c1 ZINC001565473621 1189648203 /nfs/dbraw/zinc/64/82/03/1189648203.db2.gz LJXOFRLURLZDRP-DLBZAZTESA-N 0 0 324.424 3.379 20 10 DGCDRN C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1c(F)cccc1Cl ZINC001566233420 1189756355 /nfs/dbraw/zinc/75/63/55/1189756355.db2.gz CDJBITNDOYHWIO-VIFPVBQESA-N 0 0 323.751 3.310 20 10 DGCDRN C/C=C/COc1cccc(CC(=O)NCc2ccccc2O)c1 ZINC001566374198 1189765894 /nfs/dbraw/zinc/76/58/94/1189765894.db2.gz YGHLUBIRCVYHPR-NSCUHMNNSA-N 0 0 311.381 3.206 20 10 DGCDRN CC(F)(F)c1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001569746553 1190753069 /nfs/dbraw/zinc/75/30/69/1190753069.db2.gz IABDBRFYHXCHSF-UHFFFAOYSA-N 0 0 321.323 3.068 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1ccccc1C(F)(F)F ZINC001570462253 1190863834 /nfs/dbraw/zinc/86/38/34/1190863834.db2.gz LLLXBOAIBKNSMK-UHFFFAOYSA-N 0 0 311.259 3.047 20 10 DGCDRN O=C(CCc1ccc(C(F)F)cc1)NCc1ccc(O)cc1O ZINC001570463461 1190864483 /nfs/dbraw/zinc/86/44/83/1190864483.db2.gz QIPCCGVZTNRIIJ-UHFFFAOYSA-N 0 0 321.323 3.284 20 10 DGCDRN COc1ccsc1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC001620752081 1191430668 /nfs/dbraw/zinc/43/06/68/1191430668.db2.gz UJXJRISMNBDQFD-UHFFFAOYSA-N 0 0 302.443 3.429 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)NCc1ccc2ccccc2c1 ZINC001620769056 1191463309 /nfs/dbraw/zinc/46/33/09/1191463309.db2.gz ICMNQOJHYSKZMQ-UHFFFAOYSA-N 0 0 307.349 3.110 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1O ZINC001620505283 1193773306 /nfs/dbraw/zinc/77/33/06/1193773306.db2.gz VOXHKOKRLCAPDM-JTQLQIEISA-N 0 0 317.301 3.059 20 10 DGCDRN Nc1ccc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cn1 ZINC000019952094 1193784767 /nfs/dbraw/zinc/78/47/67/1193784767.db2.gz IOOUWVJSOGGFHF-UHFFFAOYSA-N 0 0 315.332 3.183 20 10 DGCDRN CCN(C)c1ccc(CN[C@H](CO)c2cc(F)ccc2F)cc1 ZINC001620669713 1193789439 /nfs/dbraw/zinc/78/94/39/1193789439.db2.gz YEFBBBRANCXOHB-GOSISDBHSA-N 0 0 320.383 3.244 20 10 DGCDRN COC(=O)c1ccc(CN2CCc3cc(OC)ccc32)cc1C ZINC001621194193 1193815608 /nfs/dbraw/zinc/81/56/08/1193815608.db2.gz JQJYBGCZPBZOOX-UHFFFAOYSA-N 0 0 311.381 3.353 20 10 DGCDRN CN(CCCc1ccc2c(c1)CCO2)c1ccc2c(c1)OCO2 ZINC001621240650 1193821740 /nfs/dbraw/zinc/82/17/40/1193821740.db2.gz NHHCXLOBYFUMEH-UHFFFAOYSA-N 0 0 311.381 3.419 20 10 DGCDRN Cn1nc(CC[NH2+]Cc2ccc(Cl)cc2[O-])c2ccccc21 ZINC001621267075 1193824564 /nfs/dbraw/zinc/82/45/64/1193824564.db2.gz NCWVGXSHWCSWQF-UHFFFAOYSA-N 0 0 315.804 3.265 20 10 DGCDRN CCOC(=O)c1cc(NCc2cc(Cl)c(C)cc2O)cn1C ZINC001621313560 1193829445 /nfs/dbraw/zinc/82/94/45/1193829445.db2.gz GUXBWHLKPOJGPH-UHFFFAOYSA-N 0 0 322.792 3.481 20 10 DGCDRN CN(C)c1ccc(/C=C\CN2C[C@H](CO)c3ccccc32)cc1 ZINC001621349402 1193832133 /nfs/dbraw/zinc/83/21/33/1193832133.db2.gz GMXRWSWHCZFZQY-KEGWNNHHSA-N 0 0 308.425 3.362 20 10 DGCDRN Oc1cc(F)c(F)cc1CN1CC(F)(c2ccccc2F)C1 ZINC001621380798 1193835672 /nfs/dbraw/zinc/83/56/72/1193835672.db2.gz BWYGNIJCRHOVPP-UHFFFAOYSA-N 0 0 311.278 3.490 20 10 DGCDRN C[C@H](C[N@H+](C)Cc1ccc(F)c(F)c1[O-])C(=O)OC(C)(C)C ZINC001621381535 1193835991 /nfs/dbraw/zinc/83/59/91/1193835991.db2.gz JPZOPUHVDHJHMW-SNVBAGLBSA-N 0 0 315.360 3.080 20 10 DGCDRN COc1cc(C)c(CNc2cccc3c2OCCCO3)c(O)c1 ZINC001621491929 1193849644 /nfs/dbraw/zinc/84/96/44/1193849644.db2.gz XOICATUUHNTZPW-UHFFFAOYSA-N 0 0 315.369 3.483 20 10 DGCDRN CCCc1[nH]ccc1C(=O)C(=O)CC(C)(C)CC(=O)OCC ZINC001623574420 1193939687 /nfs/dbraw/zinc/93/96/87/1193939687.db2.gz ODSLIGQSOBRHLB-UHFFFAOYSA-N 0 0 307.390 3.089 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC001623755845 1193955774 /nfs/dbraw/zinc/95/57/74/1193955774.db2.gz YOLLCSQNANTOMK-CQSZACIVSA-N 0 0 317.772 3.267 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)CC(C)(C)O ZINC001624370734 1193994533 /nfs/dbraw/zinc/99/45/33/1193994533.db2.gz VSDHGVMAXCOPLF-NSHDSACASA-N 0 0 320.458 3.435 20 10 DGCDRN CN(Cc1ccc(Cl)c(F)c1)C(=O)Cc1ccc(O)c(O)c1 ZINC001624562943 1194003678 /nfs/dbraw/zinc/00/36/78/1194003678.db2.gz LDWOVZQIGSKCLL-UHFFFAOYSA-N 0 0 323.751 3.091 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H]2CCCc3c(F)cccc32)c(O)c1O ZINC001625368725 1194047223 /nfs/dbraw/zinc/04/72/23/1194047223.db2.gz REQGEXRWWQSUOY-OAHLLOKOSA-N 0 0 315.344 3.353 20 10 DGCDRN C[C@H](NC(=O)c1cc(F)cc(F)c1N)c1ccc(N(C)C)cc1 ZINC001625544177 1194057391 /nfs/dbraw/zinc/05/73/91/1194057391.db2.gz QSTIXDKQAXLXOM-JTQLQIEISA-N 0 0 319.355 3.104 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1cncc(Cl)c1 ZINC001626693303 1194089441 /nfs/dbraw/zinc/08/94/41/1194089441.db2.gz CCKRNKSRYVWIIK-UHFFFAOYSA-N 0 0 318.808 3.431 20 10 DGCDRN Cc1ccccc1[C@@H]1C[C@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001628590342 1194187185 /nfs/dbraw/zinc/18/71/85/1194187185.db2.gz XMBWUZDWRFAOKJ-LTSYXSSYSA-N 0 0 309.365 3.092 20 10 DGCDRN Cc1ccc2c(c1)CN(C(=O)/C=C\c1ccc(O)c(O)c1)CC2 ZINC001628748465 1194194775 /nfs/dbraw/zinc/19/47/75/1194194775.db2.gz YWLNSKLCNRKSJV-DAXSKMNVSA-N 0 0 309.365 3.004 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c(O)c1O ZINC001628946352 1194205281 /nfs/dbraw/zinc/20/52/81/1194205281.db2.gz YNUJKMREDADIRE-MGPQQGTHSA-N 0 0 303.402 3.495 20 10 DGCDRN Cc1cccc2c1N(C(=O)c1ccc(N=NC(N)=O)cc1)CC2 ZINC001628987274 1194206923 /nfs/dbraw/zinc/20/69/23/1194206923.db2.gz FQJBWONDOIZDKM-UHFFFAOYSA-N 0 0 308.341 3.360 20 10 DGCDRN CC1(C)CCCc2sc(NC(=O)c3cccc(O)c3O)nc21 ZINC001629153081 1194216487 /nfs/dbraw/zinc/21/64/87/1194216487.db2.gz PWPNJAZYLYJZSC-UHFFFAOYSA-N 0 0 318.398 3.421 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@]1(C)CCCO1 ZINC001629921154 1194258110 /nfs/dbraw/zinc/25/81/10/1194258110.db2.gz UIFRMWKMQFNXSU-KRWDZBQOSA-N 0 0 318.442 3.455 20 10 DGCDRN CSc1cc(C)ccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001630133231 1194270646 /nfs/dbraw/zinc/27/06/46/1194270646.db2.gz SGQJYVWIMPBZGS-UHFFFAOYSA-N 0 0 303.383 3.309 20 10 DGCDRN O=C(NCc1ccccc1O)c1ccc(Nc2cccnc2)cc1 ZINC001630363534 1194282946 /nfs/dbraw/zinc/28/29/46/1194282946.db2.gz SYIKGGHZAMBARN-UHFFFAOYSA-N 0 0 319.364 3.461 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(-c2ccccc2)cn1 ZINC001630738871 1194301098 /nfs/dbraw/zinc/30/10/98/1194301098.db2.gz VNRVLSYFTNUQDW-UHFFFAOYSA-N 0 0 320.348 3.341 20 10 DGCDRN CCCCNc1nnc(Sc2ncc([N+](=O)[O-])s2)s1 ZINC000045374619 1194324192 /nfs/dbraw/zinc/32/41/92/1194324192.db2.gz NQXVXUCPEFGROY-UHFFFAOYSA-N 0 0 317.421 3.266 20 10 DGCDRN Cc1c[nH]c(-c2ccc(NC(=O)c3cccc(O)c3O)cc2)n1 ZINC001631480384 1194337237 /nfs/dbraw/zinc/33/72/37/1194337237.db2.gz GZLXWUFAFWHIMQ-UHFFFAOYSA-N 0 0 309.325 3.049 20 10 DGCDRN Cc1cc(CNC(=O)c2ccon2)c(C)n1-c1cccc(C)c1 ZINC001631794915 1194355280 /nfs/dbraw/zinc/35/52/80/1194355280.db2.gz ZVPTZPUVTLQFIC-UHFFFAOYSA-N 0 0 309.369 3.321 20 10 DGCDRN C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1cccc(O)c1O ZINC001631953744 1194363871 /nfs/dbraw/zinc/36/38/71/1194363871.db2.gz HVAVAACVYXSOIL-GHMZBOCLSA-N 0 0 315.344 3.385 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)c(O)c1O ZINC001632034154 1194368339 /nfs/dbraw/zinc/36/83/39/1194368339.db2.gz WIGVAMSTGLAUQC-GDBMZVCRSA-N 0 0 311.381 3.472 20 10 DGCDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1O ZINC001632246944 1194378822 /nfs/dbraw/zinc/37/88/22/1194378822.db2.gz NYKHAJGSULRGLV-SECBINFHSA-N 0 0 320.732 3.445 20 10 DGCDRN C[C@H](NC(=O)c1cccn1Cc1ccncc1)c1ccccc1O ZINC001632250271 1194379063 /nfs/dbraw/zinc/37/90/63/1194379063.db2.gz OPVMOMJXBFONEY-AWEZNQCLSA-N 0 0 321.380 3.128 20 10 DGCDRN C[C@@H](NC(=O)c1cncc(C(F)(F)F)c1)c1ccccc1O ZINC001632247146 1194379303 /nfs/dbraw/zinc/37/93/03/1194379303.db2.gz SGNDMVKQLOOEQF-SECBINFHSA-N 0 0 310.275 3.297 20 10 DGCDRN C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1cc(Cl)ccc1F ZINC001632326763 1194382880 /nfs/dbraw/zinc/38/28/80/1194382880.db2.gz RSXDNOBAWLJYAN-SECBINFHSA-N 0 0 323.751 3.310 20 10 DGCDRN C=C/C=C\CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001632399468 1194386365 /nfs/dbraw/zinc/38/63/65/1194386365.db2.gz VFRRQFXGFJANID-MJSXRHKHSA-N 0 0 301.386 3.032 20 10 DGCDRN C=C/C=C/CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001632399467 1194386530 /nfs/dbraw/zinc/38/65/30/1194386530.db2.gz VFRRQFXGFJANID-CWDCEQMOSA-N 0 0 301.386 3.032 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCc2cccc(Cl)c2F)c1 ZINC001632452105 1194389800 /nfs/dbraw/zinc/38/98/00/1194389800.db2.gz MEKNAJFJNHIEBN-UHFFFAOYSA-N 0 0 322.767 3.493 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC1(C)CCC1 ZINC001632556646 1194395343 /nfs/dbraw/zinc/39/53/43/1194395343.db2.gz BARPUGDCNPXZHT-HNNXBMFYSA-N 0 0 317.477 3.481 20 10 DGCDRN O=C(Cc1coc(-c2ccccc2)n1)N1Cc2cccc(O)c2C1 ZINC001632704272 1194402863 /nfs/dbraw/zinc/40/28/63/1194402863.db2.gz YEBZLUDUCUWOAG-UHFFFAOYSA-N 0 0 320.348 3.132 20 10 DGCDRN CC(C)n1ccnc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001633315782 1194431351 /nfs/dbraw/zinc/43/13/51/1194431351.db2.gz WSKGABACYXZGSH-CYBMUJFWSA-N 0 0 300.406 3.021 20 10 DGCDRN CC(C)[C@@H](c1ccccc1)N(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001633355548 1194433285 /nfs/dbraw/zinc/43/32/85/1194433285.db2.gz HWFFUYIORPWBGL-IBGZPJMESA-N 0 0 313.397 3.496 20 10 DGCDRN O=C(Cc1ccc(C2CCC2)cc1)NCc1cc(O)ccc1O ZINC001633599096 1194444678 /nfs/dbraw/zinc/44/46/78/1194444678.db2.gz OOTQMKCPSGDTPY-UHFFFAOYSA-N 0 0 311.381 3.224 20 10 DGCDRN Cc1cccc(Cl)c1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC001633819958 1194458022 /nfs/dbraw/zinc/45/80/22/1194458022.db2.gz YASJDPVKJNNRGM-NSHDSACASA-N 0 0 319.788 3.421 20 10 DGCDRN CCCC1CCC(N(C)C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001634692544 1194509111 /nfs/dbraw/zinc/50/91/11/1194509111.db2.gz JIENMIGRVQCGEW-UHFFFAOYSA-N 0 0 305.418 3.458 20 10 DGCDRN CC(C)(NC(=O)c1cccc(O)c1O)c1ccc(F)c(F)c1 ZINC001634983100 1194526380 /nfs/dbraw/zinc/52/63/80/1194526380.db2.gz PMXQETNAJWDLGB-UHFFFAOYSA-N 0 0 307.296 3.041 20 10 DGCDRN COC(=O)Nc1ccc(C(=O)N[C@H](C)c2ccccc2O)cc1 ZINC001635793640 1194572693 /nfs/dbraw/zinc/57/26/93/1194572693.db2.gz AZKANFASIOHKRW-LLVKDONJSA-N 0 0 314.341 3.062 20 10 DGCDRN C[C@H](NC(=O)c1ccc(OC(F)F)cc1)c1ccccc1O ZINC001635799098 1194572714 /nfs/dbraw/zinc/57/27/14/1194572714.db2.gz OUPRXOQZXJVYJQ-JTQLQIEISA-N 0 0 307.296 3.485 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(C(F)(F)F)nc1)c1ccccc1O ZINC001635793858 1194572782 /nfs/dbraw/zinc/57/27/82/1194572782.db2.gz LGRRROSIUTWJBU-SECBINFHSA-N 0 0 310.275 3.297 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2cnn(C3CCC3)c2)cc1 ZINC001635924808 1194579840 /nfs/dbraw/zinc/57/98/40/1194579840.db2.gz JSRVMNWRMZGHIE-UHFFFAOYSA-N 0 0 312.333 3.023 20 10 DGCDRN C[C@H]1CC(=O)CC[C@@H]1C(=O)NCc1c(O)ccc2ccccc21 ZINC001635965319 1194581963 /nfs/dbraw/zinc/58/19/63/1194581963.db2.gz VNASLQHOCCZDOT-WFASDCNBSA-N 0 0 311.381 3.167 20 10 DGCDRN C/C(=C\C(=O)NCc1c(O)ccc2ccccc21)c1cnccn1 ZINC001635968991 1194583287 /nfs/dbraw/zinc/58/32/87/1194583287.db2.gz LGIJKBOIVIWKBN-JLHYYAGUSA-N 0 0 319.364 3.055 20 10 DGCDRN COc1cccc(CNC(=O)Cc2ccc(C)c(Cl)c2)c1O ZINC001636061640 1194589973 /nfs/dbraw/zinc/58/99/73/1194589973.db2.gz UODAVSJADTVXLO-UHFFFAOYSA-N 0 0 319.788 3.222 20 10 DGCDRN Cc1ccc(CC(=O)N2Cc3cccc(O)c3C2)c(Cl)c1 ZINC001636230975 1194601401 /nfs/dbraw/zinc/60/14/01/1194601401.db2.gz LXKIEHWSDYLGHH-UHFFFAOYSA-N 0 0 301.773 3.439 20 10 DGCDRN O=C(CCCc1ccc(Cl)cc1)NCc1cccc(O)c1O ZINC001637045847 1194648034 /nfs/dbraw/zinc/64/80/34/1194648034.db2.gz KCQAPDONDFDFNB-UHFFFAOYSA-N 0 0 319.788 3.390 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H](C)[C@@]23C[C@@H]2CCCC3)c1 ZINC001637638438 1194679579 /nfs/dbraw/zinc/67/95/79/1194679579.db2.gz JJLFBJNZPIYTOE-QIIPPGSGSA-N 0 0 302.418 3.469 20 10 DGCDRN C/C(=C/c1ccc(Cl)cc1)C(=O)NCc1ccc(O)cc1O ZINC001638352687 1194713712 /nfs/dbraw/zinc/71/37/12/1194713712.db2.gz UIVROYUEWPPTRF-FLIBITNWSA-N 0 0 317.772 3.471 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(-c2ccon2)cc1 ZINC001639068965 1194749377 /nfs/dbraw/zinc/74/93/77/1194749377.db2.gz HJJQQWSJPJFMHV-KRXBUXKQSA-N 0 0 322.320 3.405 20 10 DGCDRN O=C(C=Cc1ccc(O)c(O)c1)Nc1cc(-c2ccccc2)[nH]n1 ZINC001639293786 1194758910 /nfs/dbraw/zinc/75/89/10/1194758910.db2.gz HKUDHAKKBUMUTC-VQHVLOKHSA-N 0 0 321.336 3.140 20 10 DGCDRN O=C(CCSc1ccc(F)cc1)NCc1c(O)cccc1O ZINC001639289086 1194758976 /nfs/dbraw/zinc/75/89/76/1194758976.db2.gz IZNSLBGJINPLAE-UHFFFAOYSA-N 0 0 321.373 3.036 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1ccnn1C1CCC1 ZINC001639387474 1194762676 /nfs/dbraw/zinc/76/26/76/1194762676.db2.gz LIWZHGYDMNWMTL-UHFFFAOYSA-N 0 0 321.380 3.397 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cc(C2CC2)no1 ZINC001639388032 1194762709 /nfs/dbraw/zinc/76/27/09/1194762709.db2.gz VUCPLSFIRCZYCJ-UHFFFAOYSA-N 0 0 308.337 3.341 20 10 DGCDRN C[C@@H](Cn1ccc2ccccc21)C(=O)NCc1ccc(O)cc1O ZINC001639444418 1194766794 /nfs/dbraw/zinc/76/67/94/1194766794.db2.gz KZTVLBBPAMBTTG-ZDUSSCGKSA-N 0 0 324.380 3.005 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)Nc1ccccc1NC1CCC1 ZINC001639778010 1194781273 /nfs/dbraw/zinc/78/12/73/1194781273.db2.gz CCEZRHJLZHDOEQ-UHFFFAOYSA-N 0 0 312.369 3.243 20 10 DGCDRN O=C(NOc1ccc(F)cc1)c1cc2cc(O)c(O)cc2s1 ZINC001640098558 1194796711 /nfs/dbraw/zinc/79/67/11/1194796711.db2.gz XVYFAVKYTZSGKY-UHFFFAOYSA-N 0 0 319.313 3.175 20 10 DGCDRN CCc1ccccc1CC(=O)NCc1cccc(Cl)c1O ZINC001640405547 1194811816 /nfs/dbraw/zinc/81/18/16/1194811816.db2.gz XDLNNXYOKMHCRM-UHFFFAOYSA-N 0 0 303.789 3.467 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccc(-c3cn[nH]c3)cc2)c1 ZINC001640796451 1194828131 /nfs/dbraw/zinc/82/81/31/1194828131.db2.gz FMGJAEPOKUBQDV-UHFFFAOYSA-N 0 0 307.353 3.021 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cccc3cccc(O)c32)c1 ZINC001640796491 1194828216 /nfs/dbraw/zinc/82/82/16/1194828216.db2.gz HGEZFDGYQVTYJE-UHFFFAOYSA-N 0 0 307.349 3.489 20 10 DGCDRN Cc1nc(-c2ccc(NC(=O)Cc3ccc(O)c(O)c3)cc2)co1 ZINC001640913508 1194832478 /nfs/dbraw/zinc/83/24/78/1194832478.db2.gz DZXNRPRTODERGC-UHFFFAOYSA-N 0 0 324.336 3.242 20 10 DGCDRN C[C@H]1CC(CNC(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H](C)C1 ZINC001641082272 1194838587 /nfs/dbraw/zinc/83/85/87/1194838587.db2.gz HUWLIVGJGBWJEP-HZGAQGMBSA-N 0 0 303.402 3.300 20 10 DGCDRN Cc1ccc(C(=O)NCCc2ccc(Cl)c(C)c2)c(O)c1O ZINC001641375067 1194850535 /nfs/dbraw/zinc/85/05/35/1194850535.db2.gz BYJPODFSFMVFPG-UHFFFAOYSA-N 0 0 319.788 3.341 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCc1cnoc1 ZINC001641572138 1194860617 /nfs/dbraw/zinc/86/06/17/1194860617.db2.gz HHJPYAUUECMAQH-UHFFFAOYSA-N 0 0 323.396 3.363 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2Cc3ccc(Cl)cc32)c1 ZINC001641733408 1194868702 /nfs/dbraw/zinc/86/87/02/1194868702.db2.gz URNMAVVHBFUMKD-OAHLLOKOSA-N 0 0 301.773 3.310 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cccc(Br)c2)c1 ZINC001641728638 1194868730 /nfs/dbraw/zinc/86/87/30/1194868730.db2.gz DTZDHLWSBFKBJJ-UHFFFAOYSA-N 0 0 320.186 3.393 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCC1CCC2(CC2)CC1 ZINC001641829514 1194874160 /nfs/dbraw/zinc/87/41/60/1194874160.db2.gz DWRZERQZWVRWMH-DUXPYHPUSA-N 0 0 301.386 3.198 20 10 DGCDRN O=C(NCc1cc(F)ccc1OC(F)F)C1=CC(=O)CS1 ZINC001642286608 1194898503 /nfs/dbraw/zinc/89/85/03/1194898503.db2.gz GZHBGQJIGRQQOG-UHFFFAOYSA-N 0 0 317.288 3.124 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(OC(F)F)cc1)c1ccccc1O ZINC001642824290 1194943467 /nfs/dbraw/zinc/94/34/67/1194943467.db2.gz OUPRXOQZXJVYJQ-SNVBAGLBSA-N 0 0 307.296 3.485 20 10 DGCDRN C[C@H](NC(=O)CCc1cccc(F)c1F)c1ccccc1O ZINC001642827896 1194944325 /nfs/dbraw/zinc/94/43/25/1194944325.db2.gz VCFBFMCXCSNZHF-NSHDSACASA-N 0 0 305.324 3.480 20 10 DGCDRN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N[C@@H](C)c1ccccc1O ZINC001642830992 1194944498 /nfs/dbraw/zinc/94/44/98/1194944498.db2.gz NNETYRORSJLSNZ-WDEREUQCSA-N 0 0 321.323 3.315 20 10 DGCDRN Cc1ccc(CCC(=O)NCc2ccc(O)cc2O)cc1Cl ZINC001643100973 1194990293 /nfs/dbraw/zinc/99/02/93/1194990293.db2.gz QNIUSYAOPLSPDK-UHFFFAOYSA-N 0 0 319.788 3.309 20 10 DGCDRN Cc1cc(Cl)c(C(=O)NCc2ccc(O)cc2O)cc1C ZINC001643103617 1194996024 /nfs/dbraw/zinc/99/60/24/1194996024.db2.gz CBTPYGQNYZVYPM-UHFFFAOYSA-N 0 0 305.761 3.298 20 10 DGCDRN O=[N+]([O-])c1cc2ccccc2nc1NCc1cc(O)ccc1O ZINC001643129805 1194997166 /nfs/dbraw/zinc/99/71/66/1194997166.db2.gz JREIZTXXVNLVLZ-UHFFFAOYSA-N 0 0 311.297 3.166 20 10 DGCDRN COc1ccc(N(C)CCCn2c3ccccc3[nH]c2=O)cc1 ZINC001643695086 1195047060 /nfs/dbraw/zinc/04/70/60/1195047060.db2.gz ADLVVGVNGXJVSW-UHFFFAOYSA-N 0 0 311.385 3.277 20 10 DGCDRN C[C@@H](NC(=O)c1cccc(OC(F)F)c1)c1ccccc1O ZINC001643738803 1195050491 /nfs/dbraw/zinc/05/04/91/1195050491.db2.gz RJPHVPBHCWCXLE-SNVBAGLBSA-N 0 0 307.296 3.485 20 10 DGCDRN C[C@@H](NC(=O)c1cc2ccccc2c(=O)[nH]1)c1ccccc1O ZINC001643738781 1195050520 /nfs/dbraw/zinc/05/05/20/1195050520.db2.gz QKVKDXBPZOEZSZ-LLVKDONJSA-N 0 0 308.337 3.137 20 10 DGCDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1O ZINC001643745317 1195051636 /nfs/dbraw/zinc/05/16/36/1195051636.db2.gz KWHDGKNKFMHIOT-VIFPVBQESA-N 0 0 320.732 3.445 20 10 DGCDRN Cc1ccc(CCC(=O)NCc2cccc(O)c2O)cc1Cl ZINC001643809427 1195055757 /nfs/dbraw/zinc/05/57/57/1195055757.db2.gz NEURFIZPYVUSST-UHFFFAOYSA-N 0 0 319.788 3.309 20 10 DGCDRN CC[C@@H](Cc1cccc(C)c1)C(=O)NCc1cc(O)ccc1O ZINC001643885220 1195061077 /nfs/dbraw/zinc/06/10/77/1195061077.db2.gz NEQNIFWRBZZTMA-HNNXBMFYSA-N 0 0 313.397 3.291 20 10 DGCDRN COC(=O)c1cnc(S[C@@H](C)C(=O)Nc2ccccc2)s1 ZINC001643951469 1195066726 /nfs/dbraw/zinc/06/67/26/1195066726.db2.gz AKXMQSCNPJGADI-VIFPVBQESA-N 0 0 322.411 3.049 20 10 DGCDRN O=C(Cc1cccc(Cl)c1F)N1Cc2cccc(O)c2C1 ZINC001644088136 1195080511 /nfs/dbraw/zinc/08/05/11/1195080511.db2.gz GXQRIQZKIHIEHJ-UHFFFAOYSA-N 0 0 305.736 3.270 20 10 DGCDRN CCN(C(=O)/C=C/c1cncc(O)c1)c1ccc(F)c(C)c1 ZINC001644198575 1195089205 /nfs/dbraw/zinc/08/92/05/1195089205.db2.gz GMLGHYLBLQBICP-QPJJXVBHSA-N 0 0 300.333 3.301 20 10 DGCDRN O=C(CSc1nc2ccc(F)cc2o1)c1ccc(O)c(O)c1 ZINC001644244865 1195092927 /nfs/dbraw/zinc/09/29/27/1195092927.db2.gz SSWDDMIVDPPRAY-UHFFFAOYSA-N 0 0 319.313 3.353 20 10 DGCDRN COC(=O)c1csc(CN(C)c2ccc(OC)c(F)c2)c1 ZINC001644866073 1195139111 /nfs/dbraw/zinc/13/91/11/1195139111.db2.gz UUYSIHBBIRBEBJ-UHFFFAOYSA-N 0 0 309.362 3.319 20 10 DGCDRN CC(C)(C)c1csc(C(=O)NCc2c(O)cccc2F)n1 ZINC001645051119 1195153029 /nfs/dbraw/zinc/15/30/29/1195153029.db2.gz WXTCEKQLKUGOJX-UHFFFAOYSA-N 0 0 308.378 3.215 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccnc(Cl)c2Cl)c1 ZINC001645804932 1195201789 /nfs/dbraw/zinc/20/17/89/1195201789.db2.gz MOGFQOQNRGCOAY-UHFFFAOYSA-N 0 0 311.168 3.332 20 10 DGCDRN O=C(NCc1c(O)cccc1F)C1(c2ccccc2F)CC1 ZINC001646035516 1195211455 /nfs/dbraw/zinc/21/14/55/1195211455.db2.gz XOYKUOIQYKPYKH-UHFFFAOYSA-N 0 0 303.308 3.018 20 10 DGCDRN COc1cc2c(c(OC)c1)N(C[C@H](OC)C1CCC1)CCC2 ZINC001646203353 1195216739 /nfs/dbraw/zinc/21/67/39/1195216739.db2.gz GMMAVEUPVGKEPW-KRWDZBQOSA-N 0 0 305.418 3.272 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC(C)(C)[C@H](C)O)cc1 ZINC001646336858 1195223853 /nfs/dbraw/zinc/22/38/53/1195223853.db2.gz IYLWWUGVYRNEOW-HNNXBMFYSA-N 0 0 314.429 3.231 20 10 DGCDRN Cc1ccc(C(=O)N[C@@]2(c3ccccc3)CC2(C)C)c(O)c1O ZINC001646591464 1195235158 /nfs/dbraw/zinc/23/51/58/1195235158.db2.gz UMKZOVLYDVVJJY-LJQANCHMSA-N 0 0 311.381 3.461 20 10 DGCDRN Cc1ccc(C(=O)N[C@]2(c3ccccc3)CC2(C)C)c(O)c1O ZINC001646591463 1195235249 /nfs/dbraw/zinc/23/52/49/1195235249.db2.gz UMKZOVLYDVVJJY-IBGZPJMESA-N 0 0 311.381 3.461 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1cccc(C(F)(F)F)c1 ZINC001647178903 1195246776 /nfs/dbraw/zinc/24/67/76/1195246776.db2.gz XOOOJMKFSYROKS-UHFFFAOYSA-N 0 0 311.259 3.047 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1cccc2c1COCC2 ZINC001648609457 1195312828 /nfs/dbraw/zinc/31/28/28/1195312828.db2.gz ZAZRRNLALBEFOD-UHFFFAOYSA-N 0 0 317.772 3.048 20 10 DGCDRN Cc1cc(CC(=O)NOCC(C)C)c(C)n1-c1ccccc1 ZINC001648676237 1195321761 /nfs/dbraw/zinc/32/17/61/1195321761.db2.gz JFGOTFOJQLWBMZ-UHFFFAOYSA-N 0 0 300.402 3.340 20 10 DGCDRN Cn1cnc2cc(NCc3ccc(-n4cccn4)cc3)ccc21 ZINC001650706566 1195374556 /nfs/dbraw/zinc/37/45/56/1195374556.db2.gz QZZCYBMZZMRSKT-UHFFFAOYSA-N 0 0 303.369 3.371 20 10 DGCDRN O=C(c1c(F)ccc(O)c1O)N1CC[C@H](c2cccc(F)c2)C1 ZINC001650978460 1195400181 /nfs/dbraw/zinc/40/01/81/1195400181.db2.gz COOXBYKPGNKAPQ-NSHDSACASA-N 0 0 319.307 3.006 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CC(C)(C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001651150985 1195420005 /nfs/dbraw/zinc/42/00/05/1195420005.db2.gz DPCMPZNMLLEZBO-XYLWRLHESA-N 0 0 318.373 3.406 20 10 DGCDRN CCc1csc(N(C)CCN(C)c2ccc(OC)cc2)n1 ZINC001651211183 1195426745 /nfs/dbraw/zinc/42/67/45/1195426745.db2.gz AEBPAKVUDZXKLG-UHFFFAOYSA-N 0 0 305.447 3.287 20 10 DGCDRN Cn1cc(NCc2c(O)cccc2Cl)c(Br)n1 ZINC001651299817 1195440577 /nfs/dbraw/zinc/44/05/77/1195440577.db2.gz MTEVXQGJDICAEK-UHFFFAOYSA-N 0 0 316.586 3.154 20 10 DGCDRN Cn1cc(CC[NH2+]Cc2cc(F)cc(F)c2[O-])c2ccccc21 ZINC001651338462 1195446408 /nfs/dbraw/zinc/44/64/08/1195446408.db2.gz UWAMGHKTIUFGNR-UHFFFAOYSA-N 0 0 316.351 3.494 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccc([N+](=O)[O-])cc1 ZINC001651554650 1195479086 /nfs/dbraw/zinc/47/90/86/1195479086.db2.gz QPYQDQUJVPPKIZ-VIFPVBQESA-N 0 0 308.284 3.429 20 10 DGCDRN COC(=O)c1cnc(Sc2c(F)c(F)nc(F)c2F)s1 ZINC001651883618 1195520258 /nfs/dbraw/zinc/52/02/58/1195520258.db2.gz DPLONSLUAOOXEK-UHFFFAOYSA-N 0 0 324.280 3.032 20 10 DGCDRN CCCc1nsc(N(C)CCN(C)c2ccc(OC)cc2)n1 ZINC001652010769 1195537126 /nfs/dbraw/zinc/53/71/26/1195537126.db2.gz NPFZSKDRWRFYGI-UHFFFAOYSA-N 0 0 320.462 3.072 20 10 DGCDRN CO[C@H]1Cc2ccc(NCc3cc(F)c(F)cc3O)cc2C1 ZINC001652186934 1195559485 /nfs/dbraw/zinc/55/94/85/1195559485.db2.gz KPPZOTGPBJHFJE-AWEZNQCLSA-N 0 0 305.324 3.396 20 10 DGCDRN C[C@@H](CC(=O)NCc1c(O)cccc1F)C(=O)c1ccccc1 ZINC001652297935 1195576520 /nfs/dbraw/zinc/57/65/20/1195576520.db2.gz CCCUAJDKBWOXAP-LBPRGKRZSA-N 0 0 315.344 3.057 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@H]1C[C@]1(F)c1ccccc1 ZINC001652298716 1195578248 /nfs/dbraw/zinc/57/82/48/1195578248.db2.gz OLLHHNXSZJTJSD-DYVFJYSZSA-N 0 0 303.308 3.032 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CC[C@@H]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC001652330367 1195583771 /nfs/dbraw/zinc/58/37/71/1195583771.db2.gz RRLPRQODIZGZKL-DDJMYBDESA-N 0 0 318.373 3.406 20 10 DGCDRN COc1c([O-])c(C[NH+]2CCCCCCCC2)ccc1[N+](=O)[O-] ZINC001652480625 1195603360 /nfs/dbraw/zinc/60/33/60/1195603360.db2.gz CYUMANNAJGRKJU-UHFFFAOYSA-N 0 0 308.378 3.465 20 10 DGCDRN COc1cc(C)c(C[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)c(O)c1 ZINC001652632284 1195629740 /nfs/dbraw/zinc/62/97/40/1195629740.db2.gz WVKGWYVFRJXXBN-CYBMUJFWSA-N 0 0 323.433 3.119 20 10 DGCDRN C[C@H](CC(=O)NCc1c(O)ccc2ccccc21)[C@@H]1CCCO1 ZINC001652709053 1195639837 /nfs/dbraw/zinc/63/98/37/1195639837.db2.gz TZRJJHWNDAHEEA-ACJLOTCBSA-N 0 0 313.397 3.367 20 10 DGCDRN COC(=O)c1cc(OCCSC(C)(C)C)ccc1N(C)C ZINC001653033557 1195682310 /nfs/dbraw/zinc/68/23/10/1195682310.db2.gz LDRWCQHEOOHTMZ-UHFFFAOYSA-N 0 0 311.447 3.450 20 10 DGCDRN C[N@H+](CCc1ccc2c(c1)OCO2)Cc1cc(F)c(F)cc1[O-] ZINC001653111644 1195689230 /nfs/dbraw/zinc/68/92/30/1195689230.db2.gz QSIMNTBIFRJSBK-UHFFFAOYSA-N 0 0 321.323 3.074 20 10 DGCDRN C[C@@H](C[NH2+]Cc1cc(F)c(F)cc1[O-])c1ccccc1[N+](=O)[O-] ZINC001653171904 1195694687 /nfs/dbraw/zinc/69/46/87/1195694687.db2.gz QZJCMNIIRPLTJT-JTQLQIEISA-N 0 0 322.311 3.472 20 10 DGCDRN COc1ccc(N(C)CC(=O)NCCC2CCCCC2)cc1F ZINC001653679800 1195743395 /nfs/dbraw/zinc/74/33/95/1195743395.db2.gz BTFBKFUBHASTIR-UHFFFAOYSA-N 0 0 322.424 3.357 20 10 DGCDRN CC1(C)C[C@H](NC(=O)c2c(F)ccc(O)c2O)c2ccccc21 ZINC001654412482 1195801381 /nfs/dbraw/zinc/80/13/81/1195801381.db2.gz QAEKKAGGVSBQSK-ZDUSSCGKSA-N 0 0 315.344 3.389 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC001654734997 1195833994 /nfs/dbraw/zinc/83/39/94/1195833994.db2.gz NXMMCTPUFFAWSE-UHFFFAOYSA-N 0 0 320.732 3.192 20 10 DGCDRN Cc1ccn2cc(CNCc3ccc(N(C)C)c(F)c3)nc2c1 ZINC001655560447 1195932081 /nfs/dbraw/zinc/93/20/81/1195932081.db2.gz IIBLEDLPMCSRFQ-UHFFFAOYSA-N 0 0 312.392 3.138 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC(C)CC1 ZINC001655691378 1195950434 /nfs/dbraw/zinc/95/04/34/1195950434.db2.gz DOIDTYGTNGSEID-MRXNPFEDSA-N 0 0 317.477 3.434 20 10 DGCDRN CN(C)c1ccc(/C=C\CNc2ccc(-n3ccnn3)cc2)cc1 ZINC001655844029 1195969034 /nfs/dbraw/zinc/96/90/34/1195969034.db2.gz DCJRWDGQXDEMPA-ARJAWSKDSA-N 0 0 319.412 3.459 20 10 DGCDRN CC(C)Oc1nc(NCc2c(O)cccc2F)ccc1[N+](=O)[O-] ZINC001655875310 1195972231 /nfs/dbraw/zinc/97/22/31/1195972231.db2.gz CHYSDRWNVAKQEW-UHFFFAOYSA-N 0 0 321.308 3.234 20 10 DGCDRN CCC(=O)c1ccc(NCc2c(O)cccc2O)c([N+](=O)[O-])c1 ZINC001655887749 1195974149 /nfs/dbraw/zinc/97/41/49/1195974149.db2.gz VOPHPHDEVJXLIO-UHFFFAOYSA-N 0 0 316.313 3.211 20 10 DGCDRN COc1ccc(CCC[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC001656174229 1196014002 /nfs/dbraw/zinc/01/40/02/1196014002.db2.gz OJAJIQIFBZJJOZ-UHFFFAOYSA-N 0 0 307.340 3.401 20 10 DGCDRN CN1Cc2c(cccc2NCc2c(O)ccc(Cl)c2F)C1=O ZINC001656430318 1196039235 /nfs/dbraw/zinc/03/92/35/1196039235.db2.gz SAFKYEMAJUNQLD-UHFFFAOYSA-N 0 0 320.751 3.382 20 10 DGCDRN Cc1cc(NC/C=C/c2ccc(N(C)C)cc2)ccc1C(N)=O ZINC001656868438 1196076465 /nfs/dbraw/zinc/07/64/65/1196076465.db2.gz GDMOQGVSOIUKEO-SNAWJCMRSA-N 0 0 309.413 3.285 20 10 DGCDRN Oc1cc(F)c(F)cc1CN1CCOC[C@H]1c1ccccc1 ZINC001657328805 1196130497 /nfs/dbraw/zinc/13/04/97/1196130497.db2.gz XRJHWLPYCWHNSY-INIZCTEOSA-N 0 0 305.324 3.244 20 10 DGCDRN CCCCO[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1(C)C ZINC001657377415 1196135486 /nfs/dbraw/zinc/13/54/86/1196135486.db2.gz ZYOKNAJDMBBKEV-JKSUJKDBSA-N 0 0 322.405 3.374 20 10 DGCDRN CCN(CC)CC[N@@H+](Cc1ccc(F)c(F)c1[O-])CC(C)C ZINC001657432495 1196140708 /nfs/dbraw/zinc/14/07/08/1196140708.db2.gz AANZDZPJMYHVCS-UHFFFAOYSA-N 0 0 314.420 3.470 20 10 DGCDRN O=C1CC[C@H](c2cccc(NCc3cc(F)cc(F)c3O)c2)N1 ZINC001657543533 1196153052 /nfs/dbraw/zinc/15/30/52/1196153052.db2.gz CVNTYRIZVNXUBX-OAHLLOKOSA-N 0 0 318.323 3.234 20 10 DGCDRN Oc1cc(Cl)ccc1CN1CCN(Cc2cccs2)CC1 ZINC001657626487 1196161561 /nfs/dbraw/zinc/16/15/61/1196161561.db2.gz YOVKKBAYBRQSJB-UHFFFAOYSA-N 0 0 322.861 3.425 20 10 DGCDRN COCC[N@H+](Cc1cccs1)Cc1cc(F)c(F)cc1[O-] ZINC001657625760 1196161761 /nfs/dbraw/zinc/16/17/61/1196161761.db2.gz MANFQOHMALPJHG-UHFFFAOYSA-N 0 0 313.369 3.381 20 10 DGCDRN CCOCc1cc(CN[C@@H](C)c2nnc(C)s2)ccc1OC ZINC001657755853 1196175667 /nfs/dbraw/zinc/17/56/67/1196175667.db2.gz HBEHQZOXMKFGLU-NSHDSACASA-N 0 0 321.446 3.242 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNCc1ncnn1C(C)(C)C ZINC001657860929 1196187354 /nfs/dbraw/zinc/18/73/54/1196187354.db2.gz RNTXIHDQHLQFFQ-UHFFFAOYSA-N 0 0 311.433 3.123 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]Cc1ccc2c(n1)CCCC2 ZINC001657920940 1196194100 /nfs/dbraw/zinc/19/41/00/1196194100.db2.gz MXZOOWCPHLUYNR-UHFFFAOYSA-N 0 0 304.340 3.234 20 10 DGCDRN O=c1[nH]c2cccc(C[NH2+]Cc3cccc(Cl)c3[O-])c2o1 ZINC001658141205 1196217952 /nfs/dbraw/zinc/21/79/52/1196217952.db2.gz WVZYSJCADYKHKC-UHFFFAOYSA-N 0 0 304.733 3.182 20 10 DGCDRN Cc1noc([C@H](NCc2ccc3c(c2)CCCO3)C(C)C)n1 ZINC001658193657 1196224265 /nfs/dbraw/zinc/22/42/65/1196224265.db2.gz KTTSJNCJULRPFR-MRXNPFEDSA-N 0 0 301.390 3.190 20 10 DGCDRN C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001658375268 1196248255 /nfs/dbraw/zinc/24/82/55/1196248255.db2.gz QMGBWOCCHFPSKJ-TZMCWYRMSA-N 0 0 323.408 3.331 20 10 DGCDRN CC[N@@H+]1C[C@@H](C)N(Cc2c([O-])ccc(Cl)c2F)C[C@@H]1C ZINC001658441522 1196256226 /nfs/dbraw/zinc/25/62/26/1196256226.db2.gz IWPFDEVUOQARLA-WDEREUQCSA-N 0 0 300.805 3.099 20 10 DGCDRN Cc1ccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])cc1[N+](=O)[O-] ZINC001658451850 1196259219 /nfs/dbraw/zinc/25/92/19/1196259219.db2.gz SVHDHQGLLBUBRX-UHFFFAOYSA-N 0 0 308.284 3.177 20 10 DGCDRN COc1ccc(N(CCC(C)C)CC(=O)NCC2CCC2)cc1 ZINC001658530950 1196270057 /nfs/dbraw/zinc/27/00/57/1196270057.db2.gz BTKZTYSCIUOVPM-UHFFFAOYSA-N 0 0 318.461 3.464 20 10 DGCDRN COc1ccnc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])c1F ZINC001658579700 1196275226 /nfs/dbraw/zinc/27/52/26/1196275226.db2.gz MXNVSDFVWRVDDH-UHFFFAOYSA-N 0 0 314.719 3.017 20 10 DGCDRN CO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(C(C)=O)c2[O-])C1(C)C ZINC001658693056 1196289178 /nfs/dbraw/zinc/28/91/78/1196289178.db2.gz JDDFDYLAPGHBIE-UONOGXRCSA-N 0 0 311.809 3.151 20 10 DGCDRN CCCn1cc(CN2CCCc3cc(OC(F)F)ccc32)nn1 ZINC001658759827 1196296888 /nfs/dbraw/zinc/29/68/88/1196296888.db2.gz JZGBHOJHQPGFFK-UHFFFAOYSA-N 0 0 322.359 3.242 20 10 DGCDRN Cc1noc([C@H](NCc2cc(F)c(N(C)C)cc2F)C(C)C)n1 ZINC001658794305 1196301335 /nfs/dbraw/zinc/30/13/35/1196301335.db2.gz YRXPOLYKZLCXKL-OAHLLOKOSA-N 0 0 324.375 3.209 20 10 DGCDRN Cc1c(C[NH2+]Cc2ccc(F)c(F)c2[O-])cccc1[N+](=O)[O-] ZINC001658849191 1196309881 /nfs/dbraw/zinc/30/98/81/1196309881.db2.gz SZSGXWVIVFNWKW-UHFFFAOYSA-N 0 0 308.284 3.177 20 10 DGCDRN COc1ccc(N(C)Cc2ccnc(Br)c2)cc1 ZINC001659288383 1196368149 /nfs/dbraw/zinc/36/81/49/1196368149.db2.gz MIRZLGPIXHEBJU-UHFFFAOYSA-N 0 0 307.191 3.489 20 10 DGCDRN C[C@@H](O)[C@@H]([NH2+]Cc1cc(F)c(F)cc1[O-])c1ccccc1F ZINC001659585949 1196398149 /nfs/dbraw/zinc/39/81/49/1196398149.db2.gz FYMDOMFYAUCWPE-JDNHERCYSA-N 0 0 311.303 3.021 20 10 DGCDRN Cc1ccc(C[NH2+]Cc2cccc(Br)c2[O-])c(O)c1 ZINC001659683614 1196405128 /nfs/dbraw/zinc/40/51/28/1196405128.db2.gz KBBBDJMOVZOJIM-UHFFFAOYSA-N 0 0 322.202 3.459 20 10 DGCDRN COC(=O)[C@@H](N[C@H](C)c1ccccc1O)c1ccc(F)cc1 ZINC001659815600 1196417343 /nfs/dbraw/zinc/41/73/43/1196417343.db2.gz NXZAQJVCMSIDEY-BZNIZROVSA-N 0 0 303.333 3.096 20 10 DGCDRN Oc1cc(F)c(F)cc1CNc1cccc2c1OCCCO2 ZINC001660554565 1196496366 /nfs/dbraw/zinc/49/63/66/1196496366.db2.gz BQVNOENHFFMNKP-UHFFFAOYSA-N 0 0 307.296 3.444 20 10 DGCDRN COc1ccc(N2CCN(C(=O)O[C@H](C)CC(C)C)CC2)cc1 ZINC001662306737 1196704705 /nfs/dbraw/zinc/70/47/05/1196704705.db2.gz RGYUXLSZGSNZIG-OAHLLOKOSA-N 0 0 320.433 3.388 20 10 DGCDRN C[N@H+](CCOCc1ccccc1)Cc1ccc(F)c(F)c1[O-] ZINC001663795307 1196946154 /nfs/dbraw/zinc/94/61/54/1196946154.db2.gz TUKKVTNBBBFFBX-UHFFFAOYSA-N 0 0 307.340 3.319 20 10 DGCDRN COC(=O)[C@@H](C)Cc1ccc(NCc2cc(F)ccc2O)cc1 ZINC001664194996 1196978754 /nfs/dbraw/zinc/97/87/54/1196978754.db2.gz RYTUYZVZZKQYQP-LBPRGKRZSA-N 0 0 317.360 3.495 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1COC(C)(C)O1 ZINC001664930949 1197079713 /nfs/dbraw/zinc/07/97/13/1197079713.db2.gz FRIWSHZCEJYTFP-QPUJVOFHSA-N 0 0 320.216 3.329 20 10 DGCDRN O=C1CN(Cc2ccc3ccccc3c2O)Cc2ccccc2N1 ZINC001665102722 1197098106 /nfs/dbraw/zinc/09/81/06/1197098106.db2.gz XCXWFSLLLYEMFX-UHFFFAOYSA-N 0 0 318.376 3.500 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1CC(F)(F)OC(F)(F)C1 ZINC001665705385 1197177884 /nfs/dbraw/zinc/17/78/84/1197177884.db2.gz GTCVMSNJCQOFQZ-UHFFFAOYSA-N 0 0 306.303 3.079 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2cccc(-n3cccn3)c2)c1 ZINC001666271401 1197247614 /nfs/dbraw/zinc/24/76/14/1197247614.db2.gz YGJRKTPCQQABEN-UHFFFAOYSA-N 0 0 322.368 3.208 20 10 DGCDRN COc1ccc(NC(=O)N[C@@H](C)c2ccccc2O)cc1F ZINC001667973931 1197393657 /nfs/dbraw/zinc/39/36/57/1197393657.db2.gz IMGTXEGLCDWULU-JTQLQIEISA-N 0 0 304.321 3.423 20 10 DGCDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1c(O)cccc1F ZINC001669071326 1197439477 /nfs/dbraw/zinc/43/94/77/1197439477.db2.gz UNJVIYVBZCXLGY-UHFFFAOYSA-N 0 0 319.292 3.070 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2cccc(OCCF)c2)c1 ZINC001669292527 1197447725 /nfs/dbraw/zinc/44/77/25/1197447725.db2.gz MSEDBLAVSNVPRN-UHFFFAOYSA-N 0 0 318.348 3.371 20 10 DGCDRN CC(C)O[C@@H]1C[C@H](NC(=O)N[C@@H](C)c2ccccc2O)C1(C)C ZINC001671411304 1197538809 /nfs/dbraw/zinc/53/88/09/1197538809.db2.gz SRCZIGICWKOSAW-VBNZEHGJSA-N 0 0 320.433 3.345 20 10 DGCDRN C[C@@H](NC(=O)Nc1ccn(-c2ccccc2)n1)c1ccccc1O ZINC001671890772 1197581438 /nfs/dbraw/zinc/58/14/38/1197581438.db2.gz SVTHAVYWYYFALQ-CYBMUJFWSA-N 0 0 322.368 3.461 20 10 DGCDRN O=C(NCc1c(O)cccc1F)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001672237798 1197599886 /nfs/dbraw/zinc/59/98/86/1197599886.db2.gz KLTNVBCHOWAJMW-SWLSCSKDSA-N 0 0 318.323 3.026 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1cnc2[nH]ccc2c1 ZINC001674778805 1197870544 /nfs/dbraw/zinc/87/05/44/1197870544.db2.gz WYWASJPYPJOMCN-UHFFFAOYSA-N 0 0 323.400 3.211 20 10 DGCDRN Cc1cc(CNC(=O)N2CC(F)C2)c(C)n1-c1cccc(C)c1 ZINC001675108569 1197985821 /nfs/dbraw/zinc/98/58/21/1197985821.db2.gz OXQVRQGMXXEUET-UHFFFAOYSA-N 0 0 315.392 3.266 20 10 DGCDRN N#Cc1ccc(-c2noc(-c3ccc(-n4cccc4)cc3)n2)nc1 ZINC000090103474 1198092790 /nfs/dbraw/zinc/09/27/90/1198092790.db2.gz WYAURGUYXQSHAB-UHFFFAOYSA-N 0 0 313.320 3.461 20 10 DGCDRN CCON(CC)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC001678483991 1198688845 /nfs/dbraw/zinc/68/88/45/1198688845.db2.gz PAKWKVQGTJBHGE-UHFFFAOYSA-N 0 0 319.449 3.406 20 10 DGCDRN CCC1(CNC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC001679655316 1198813493 /nfs/dbraw/zinc/81/34/93/1198813493.db2.gz TYPFGCXWRQXJFU-HNNXBMFYSA-N 0 0 317.477 3.481 20 10 DGCDRN C[C@]1(c2ccccc2)C[C@H]1NC(=O)NCc1c(O)cccc1F ZINC001679796952 1198825033 /nfs/dbraw/zinc/82/50/33/1198825033.db2.gz GYNBFAHDCTVRNC-SJLPKXTDSA-N 0 0 314.360 3.061 20 10 DGCDRN C[C@H](NC(=O)Nc1ccc2occc(=O)c2c1)c1ccccc1O ZINC001681268513 1198974934 /nfs/dbraw/zinc/97/49/34/1198974934.db2.gz DIBZSXKERUFWND-NSHDSACASA-N 0 0 324.336 3.381 20 10 DGCDRN CC[C@@H](C)CONC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001682865591 1199207412 /nfs/dbraw/zinc/20/74/12/1199207412.db2.gz BUHZDSIIUFYSGZ-UKRRQHHQSA-N 0 0 321.465 3.269 20 10 DGCDRN CC[C@@H](C)CONC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001682865590 1199208212 /nfs/dbraw/zinc/20/82/12/1199208212.db2.gz BUHZDSIIUFYSGZ-HIFRSBDPSA-N 0 0 321.465 3.269 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NOCC2CCC2)cc1F ZINC001682876433 1199209448 /nfs/dbraw/zinc/20/94/48/1199209448.db2.gz QKKGFEJMNDPECX-UHFFFAOYSA-N 0 0 323.412 3.203 20 10 DGCDRN Cc1ccc(CNC(=O)NCc2cc(Cl)ccc2O)cc1F ZINC001684326016 1199376337 /nfs/dbraw/zinc/37/63/37/1199376337.db2.gz DIAWFEDOBXBTTG-UHFFFAOYSA-N 0 0 322.767 3.493 20 10 DGCDRN C[C@]1(CNC(=O)NCc2cccc(Cl)c2O)C[C@H]2C[C@H]2C1 ZINC001684416244 1199383758 /nfs/dbraw/zinc/38/37/58/1199383758.db2.gz RWHOTLXDKXLCMW-ATCWAGBWSA-N 0 0 308.809 3.281 20 10 DGCDRN O=C(NC/C=C/Cl)N(Cc1ccco1)Cc1ccccc1O ZINC001684561336 1199394971 /nfs/dbraw/zinc/39/49/71/1199394971.db2.gz NHMTWKIFJKGFHJ-XBXARRHUSA-N 0 0 320.776 3.450 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCc2cc(O)ccc2Cl)c1 ZINC001684891176 1199423127 /nfs/dbraw/zinc/42/31/27/1199423127.db2.gz ZBWGBKIOBCQVDU-UHFFFAOYSA-N 0 0 320.776 3.059 20 10 DGCDRN CC(C)[C@@H]1C[C@H]1CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001686173376 1199537597 /nfs/dbraw/zinc/53/75/97/1199537597.db2.gz HGUQCNBFCQFVSL-QRTARXTBSA-N 0 0 303.450 3.405 20 10 DGCDRN COc1cccc(CNC(=O)c2cc(C)c3ccccc3n2)c1O ZINC000105651232 1199549903 /nfs/dbraw/zinc/54/99/03/1199549903.db2.gz PVLIVYPQJAZXGN-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN O=C(NCc1c(O)cccc1F)NC[C@H]1CC2CCC1CC2 ZINC001686863621 1199595267 /nfs/dbraw/zinc/59/52/67/1199595267.db2.gz RSQHKDAKYHIQCH-WXRRBKDZSA-N 0 0 306.381 3.157 20 10 DGCDRN CCc1nnc(N(C)C2CC2)n1CCCSc1nccs1 ZINC001727495765 1204309265 /nfs/dbraw/zinc/30/92/65/1204309265.db2.gz NDILRYMCDFYLLI-UHFFFAOYSA-N 0 0 323.491 3.078 20 10 DGCDRN Cc1cc(O)c(C[NH2+][C@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC001600286093 970794235 /nfs/dbraw/zinc/79/42/35/970794235.db2.gz KHZVAADRRXJFIK-HNNXBMFYSA-N 0 0 305.761 3.270 20 10 DGCDRN CCOc1cccc(C[N@H+](C)Cc2ccc(C(=O)[O-])cc2)c1O ZINC000390966388 972310539 /nfs/dbraw/zinc/31/05/39/972310539.db2.gz CBDJXOICVVEBLM-UHFFFAOYSA-N 0 0 315.369 3.121 20 10 DGCDRN COc1cc(C[NH2+]CCC(C)(C)C(=O)[O-])c(O)c(C(C)(C)C)c1 ZINC001594058473 958063070 /nfs/dbraw/zinc/06/30/70/958063070.db2.gz XYNFZQCAARQASZ-UHFFFAOYSA-N 0 0 323.433 3.289 20 10 DGCDRN Cc1cc(O)c(C[NH2+]Cc2ccccc2C(=O)[O-])cc1Cl ZINC001594326882 958181626 /nfs/dbraw/zinc/18/16/26/958181626.db2.gz LCMBUKOBVNXHTN-UHFFFAOYSA-N 0 0 305.761 3.342 20 10 DGCDRN Cc1c2ccccc2n(C)c1C[NH2+]C[C@H](CC(C)C)C(=O)[O-] ZINC001594262053 959700611 /nfs/dbraw/zinc/70/06/11/959700611.db2.gz QMLMCJQNVFBWDT-AWEZNQCLSA-N 0 0 302.418 3.323 20 10 DGCDRN CC[C@H](C(=O)[O-])[N@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC001603500799 973467282 /nfs/dbraw/zinc/46/72/82/973467282.db2.gz OSWBTYHPSJFDPP-MRXNPFEDSA-N 0 0 304.434 3.280 20 10 DGCDRN CCCCC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)C(=O)[O-] ZINC001595683217 982170229 /nfs/dbraw/zinc/17/02/29/982170229.db2.gz NBYJZKCZXYBUTN-LBPRGKRZSA-N 0 0 315.797 3.177 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]Cc2cc(C)c(C(=O)[O-])[nH]2)cc1 ZINC001596288005 983707450 /nfs/dbraw/zinc/70/74/50/983707450.db2.gz DQGMTAUMZMMULM-UHFFFAOYSA-N 0 0 315.417 3.157 20 10 DGCDRN CC(C)[N@H+](Cc1occc1C(=O)[O-])Cc1ccc(N(C)C)cc1 ZINC001591596790 992825230 /nfs/dbraw/zinc/82/52/30/992825230.db2.gz PPJWXEJBUGKWME-UHFFFAOYSA-N 0 0 316.401 3.454 20 10 DGCDRN C[C@H]([NH2+][C@H]1C[C@H]1Cc1ccccc1)c1cc(C(=O)[O-])ccc1O ZINC001593218478 994285756 /nfs/dbraw/zinc/28/57/56/994285756.db2.gz GKFHVWOFOPTABV-MJEQTWJJSA-N 0 0 311.381 3.372 20 10 DGCDRN C[C@H]([NH2+]CCc1ccccc1F)c1cc(C(=O)[O-])ccc1O ZINC001593273705 994620874 /nfs/dbraw/zinc/62/08/74/994620874.db2.gz GDRJMHAZSNYMTB-NSHDSACASA-N 0 0 303.333 3.123 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1ncc(C(=O)[O-])s1 ZINC001593293277 994683180 /nfs/dbraw/zinc/68/31/80/994683180.db2.gz SYFDRZBIOJOGNU-ZETCQYMHSA-N 0 0 312.778 3.051 20 10 DGCDRN C[C@@]([NH2+]Cc1ccc2c(c1)CCCO2)(C(=O)[O-])c1ccccc1 ZINC001593303793 994739145 /nfs/dbraw/zinc/73/91/45/994739145.db2.gz FZXDLGQIMCAVOZ-IBGZPJMESA-N 0 0 311.381 3.101 20 10 DGCDRN C[C@@]1(CF)CC[N@H+](Cc2c([O-])cc(Br)cc2F)C1 ZINC001233029138 1098206852 /nfs/dbraw/zinc/20/68/52/1098206852.db2.gz ZOEFUXGWDRKVMV-ZDUSSCGKSA-N 0 0 320.177 3.475 20 10 DGCDRN O=C(NCc1ccc(C(F)(F)F)s1)C1=CC(=O)CS1 ZINC001176910108 1098454328 /nfs/dbraw/zinc/45/43/28/1098454328.db2.gz IXBZFPFFCNXETM-UHFFFAOYSA-N 0 0 307.318 3.464 20 10 DGCDRN Oc1ccc(CNc2ncc3c(n2)-c2ccccc2OC3)cc1O ZINC001169990249 1081792341 /nfs/dbraw/zinc/79/23/41/1081792341.db2.gz CYNMBYILMZKMET-UHFFFAOYSA-N 0 0 321.336 3.059 20 10 DGCDRN Oc1ccc(CNc2nc(Cl)nc3ccsc32)cc1O ZINC001169992787 1081795543 /nfs/dbraw/zinc/79/55/43/1081795543.db2.gz FXUATPWZZULOON-UHFFFAOYSA-N 0 0 307.762 3.368 20 10 DGCDRN Oc1ccc(CNc2ncncc2OCc2ccccc2)cc1O ZINC001169992655 1081796365 /nfs/dbraw/zinc/79/63/65/1081796365.db2.gz AEBVRDNBCHRFDR-UHFFFAOYSA-N 0 0 323.352 3.079 20 10 DGCDRN Oc1ccc(CNc2nccc3c4c([nH]c32)CCCC4)cc1O ZINC001169993661 1081802815 /nfs/dbraw/zinc/80/28/15/1081802815.db2.gz WXVYYLRAICEZMU-UHFFFAOYSA-N 0 0 309.369 3.465 20 10 DGCDRN COC(=O)C(C)(C)c1ccc(NCc2ccc(O)c(O)c2)cc1 ZINC001169994815 1081816405 /nfs/dbraw/zinc/81/64/05/1081816405.db2.gz IQMKVGLRUXILNQ-UHFFFAOYSA-N 0 0 315.369 3.161 20 10 DGCDRN Cc1cc(Br)c(C)nc1NCc1ccc(O)c(O)c1 ZINC001169994995 1081817226 /nfs/dbraw/zinc/81/72/26/1081817226.db2.gz NVTFFBQONBQGEC-UHFFFAOYSA-N 0 0 323.190 3.484 20 10 DGCDRN CCOC(=O)c1ccc(C)cc1NCc1ccc(O)c(O)c1 ZINC001169995221 1081817597 /nfs/dbraw/zinc/81/75/97/1081817597.db2.gz URZNVFOSVQYDIF-UHFFFAOYSA-N 0 0 301.342 3.195 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccncc2C(F)(F)F)c1 ZINC001167293897 1081913286 /nfs/dbraw/zinc/91/32/86/1081913286.db2.gz SXRPBGADSMCUSE-UHFFFAOYSA-N 0 0 310.275 3.044 20 10 DGCDRN Cc1nn(-c2ccccc2)cc1C(=O)NCc1cc(C)ccc1O ZINC001167293894 1081913408 /nfs/dbraw/zinc/91/34/08/1081913408.db2.gz SXIRBGVCVXKGJU-UHFFFAOYSA-N 0 0 321.380 3.125 20 10 DGCDRN C[C@@H](NC(=O)/C=C\c1ccc2c(c1)OCO2)c1ccccc1O ZINC001648892251 1081955529 /nfs/dbraw/zinc/95/55/29/1081955529.db2.gz SIINHHXECCUURS-ZVTBTPLYSA-N 0 0 311.337 3.012 20 10 DGCDRN Cc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)ccc1N(C)C ZINC000588404510 1082148293 /nfs/dbraw/zinc/14/82/93/1082148293.db2.gz VUMGPVQPZIXOJI-UITAMQMPSA-N 0 0 312.369 3.124 20 10 DGCDRN CC[C@@H](c1ccncc1)N(C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588407243 1082154853 /nfs/dbraw/zinc/15/48/53/1082154853.db2.gz RUSSNRLKVYIQQS-PKYBCLHXSA-N 0 0 312.369 3.116 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(NC2CN(c3ncccn3)C2)cc1 ZINC001170132657 1082157606 /nfs/dbraw/zinc/15/76/06/1082157606.db2.gz PNXPDWVVYOAIIE-UHFFFAOYSA-N 0 0 319.412 3.185 20 10 DGCDRN Cc1cccc(C)c1CCNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588408372 1082163484 /nfs/dbraw/zinc/16/34/84/1082163484.db2.gz XNAZMQLMKBXLDU-CLFYSBASSA-N 0 0 311.381 3.087 20 10 DGCDRN O=C(CNc1cc(Cl)cc2oncc21)c1ccc(O)c(O)c1 ZINC001170321275 1082345115 /nfs/dbraw/zinc/34/51/15/1082345115.db2.gz YYYMMICRWYKDSJ-UHFFFAOYSA-N 0 0 318.716 3.187 20 10 DGCDRN Cc1cc2ncccc2cc1NCC(=O)c1ccc(O)c(O)c1 ZINC001170323292 1082346070 /nfs/dbraw/zinc/34/60/70/1082346070.db2.gz VSNPAJWDMGQZDW-UHFFFAOYSA-N 0 0 308.337 3.249 20 10 DGCDRN Cc1cc(C)c2c(c1)N(C(=O)/C=C/c1ccc(C)nc1)CCO2 ZINC001130699705 1082607744 /nfs/dbraw/zinc/60/77/44/1082607744.db2.gz JQPVQCZFESLLQO-VOTSOKGWSA-N 0 0 308.381 3.446 20 10 DGCDRN [O-]c1c(Br)cccc1C[NH+]1CCC(F)(F)CC1 ZINC000404786200 1082733132 /nfs/dbraw/zinc/73/31/32/1082733132.db2.gz MBPIGGFGBOUVJB-UHFFFAOYSA-N 0 0 306.150 3.386 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC000724814988 1082922680 /nfs/dbraw/zinc/92/26/80/1082922680.db2.gz XVJXSKKRGZQDSS-ZANVPECISA-N 0 0 302.201 3.310 20 10 DGCDRN C/C=C/C[C@@H](NCc1cc(Cl)c(C)cc1O)C(=O)OCC ZINC001181457990 1083470640 /nfs/dbraw/zinc/47/06/40/1083470640.db2.gz SNRLGQZPEZWUBW-YVARQFDVSA-N 0 0 311.809 3.342 20 10 DGCDRN COCCC[N@H+](Cc1ccncc1)Cc1ccc(Cl)cc1O ZINC001181497254 1083478138 /nfs/dbraw/zinc/47/81/38/1083478138.db2.gz DMSIJFXWNOTSKW-UHFFFAOYSA-N 0 0 320.820 3.479 20 10 DGCDRN Cc1cc(C)c(CNC(=O)Cc2cccc3[nH]ccc32)c(O)c1 ZINC001181729242 1083523217 /nfs/dbraw/zinc/52/32/17/1083523217.db2.gz MUCWOBWFURUOSX-UHFFFAOYSA-N 0 0 308.381 3.349 20 10 DGCDRN O=C([C@@H]1CC12CCCCC2)N1CCCc2cc(O)c(O)cc2C1 ZINC001181907533 1083578652 /nfs/dbraw/zinc/57/86/52/1083578652.db2.gz BKGQBZLXWJWHFO-HNNXBMFYSA-N 0 0 315.413 3.343 20 10 DGCDRN Cn1nnc2cc(NCc3ccc4ccccc4c3O)ccc21 ZINC001182555876 1083745006 /nfs/dbraw/zinc/74/50/06/1083745006.db2.gz SSYCBROBQHKHMJ-UHFFFAOYSA-N 0 0 304.353 3.439 20 10 DGCDRN CCc1ccc(C[N@H+](C)Cc2cc(O)c(O)c(OC)c2)cc1 ZINC001204346452 1083746585 /nfs/dbraw/zinc/74/65/85/1083746585.db2.gz QCEMTLAGPLDRTE-UHFFFAOYSA-N 0 0 301.386 3.301 20 10 DGCDRN CCn1cc(Cl)cc1C(=O)NCc1ccc(N(C)C)cc1C ZINC001126004860 1083757554 /nfs/dbraw/zinc/75/75/54/1083757554.db2.gz OFGCKBYIUGOGFN-UHFFFAOYSA-N 0 0 319.836 3.466 20 10 DGCDRN COc1ccc(N(C)CC(C)(C)NC(=O)OC(C)(C)C)cc1 ZINC001182733862 1083791840 /nfs/dbraw/zinc/79/18/40/1083791840.db2.gz GCKQQZUVNBCLEG-UHFFFAOYSA-N 0 0 308.422 3.435 20 10 DGCDRN CCCOc1ccc(N(CCO)c2ccc(N)cc2)cc1F ZINC001211670412 1083838908 /nfs/dbraw/zinc/83/89/08/1083838908.db2.gz ODQRIWAUZSLDGQ-UHFFFAOYSA-N 0 0 304.365 3.327 20 10 DGCDRN COc1cc(C)c(C[N@@H+]2CC[C@@H](c3ccc(O)cc3)C2)c(O)c1 ZINC001183155588 1083881017 /nfs/dbraw/zinc/88/10/17/1083881017.db2.gz HXCJPPBDPUZCIM-OAHLLOKOSA-N 0 0 313.397 3.404 20 10 DGCDRN CC1(C)CC[C@H](CO)[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001183512146 1083965681 /nfs/dbraw/zinc/96/56/81/1083965681.db2.gz YXKWDGCAJLRSKA-GFCCVEGCSA-N 0 0 301.789 3.168 20 10 DGCDRN Cc1cc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c(O)cc1Br ZINC001250120526 1083991625 /nfs/dbraw/zinc/99/16/25/1083991625.db2.gz HDOHMAAWWATPCB-GAFUQQFSSA-N 0 0 314.198 3.253 20 10 DGCDRN Cc1cc(CN2C[C@@H](F)C[C@H]2C)c(O)cc1Br ZINC001250120620 1083994005 /nfs/dbraw/zinc/99/40/05/1083994005.db2.gz KRXCIQLWGYPWQV-KOLCDFICSA-N 0 0 302.187 3.395 20 10 DGCDRN Cc1cc(C)c(CNC(=O)C(C)(C)c2ccc(O)cc2)c(O)c1 ZINC001183781043 1084029603 /nfs/dbraw/zinc/02/96/03/1084029603.db2.gz VNJKEZDNSVURFD-UHFFFAOYSA-N 0 0 313.397 3.309 20 10 DGCDRN Oc1cc(Cl)ccc1CNCC(F)(F)C1(O)CCCCC1 ZINC001184277647 1084149362 /nfs/dbraw/zinc/14/93/62/1084149362.db2.gz LFWLLUBQPVDHTD-UHFFFAOYSA-N 0 0 319.779 3.466 20 10 DGCDRN C[N@H+](C1CC1)[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203586889 1084171286 /nfs/dbraw/zinc/17/12/86/1084171286.db2.gz VKLSIJMJWAOWRC-ZDUSSCGKSA-N 0 0 315.244 3.368 20 10 DGCDRN CN(Cc1cccc2c1OCO2)Cc1c(F)ccc(F)c1[O-] ZINC001139689184 1084209640 /nfs/dbraw/zinc/20/96/40/1084209640.db2.gz DWZNGMOGKOPCFQ-UHFFFAOYSA-N 0 0 307.296 3.031 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nc(C)ccc1C ZINC001184598223 1084222307 /nfs/dbraw/zinc/22/23/07/1084222307.db2.gz SXMSFEYVITUZIO-UHFFFAOYSA-N 0 0 311.429 3.427 20 10 DGCDRN CCOc1cccc(CN2CCCC(F)(F)[C@@H](F)C2)c1O ZINC001203602446 1084291266 /nfs/dbraw/zinc/29/12/66/1084291266.db2.gz XMAFTRSCSKSMMI-ZDUSSCGKSA-N 0 0 303.324 3.360 20 10 DGCDRN CCOc1cc(NCc2ccc(N(C)C)c(F)c2)nc(C)n1 ZINC001185088994 1084335642 /nfs/dbraw/zinc/33/56/42/1084335642.db2.gz REYOBIDRVHAZSO-UHFFFAOYSA-N 0 0 304.369 3.001 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Nc1c(C)noc1C ZINC001185173433 1084367807 /nfs/dbraw/zinc/36/78/07/1084367807.db2.gz UPSULRZIOLGTNS-UHFFFAOYSA-N 0 0 316.405 3.411 20 10 DGCDRN O=C(NCC1CCCCC1)N1CCCc2cc(O)c(O)cc2C1 ZINC001186873037 1084712814 /nfs/dbraw/zinc/71/28/14/1084712814.db2.gz ZMKBCBBOAYJGDY-UHFFFAOYSA-N 0 0 318.417 3.136 20 10 DGCDRN CC[C@H](COC)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001126399876 1085065877 /nfs/dbraw/zinc/06/58/77/1085065877.db2.gz GWEFPAQJYQOFMN-QGZVFWFLSA-N 0 0 314.429 3.178 20 10 DGCDRN CCC[C@H](C)[C@@H](Oc1c(O)c(O)c(O)c(O)c1O)C(C)C ZINC001226467681 1086090200 /nfs/dbraw/zinc/09/02/00/1086090200.db2.gz JANCGRFFXHBYNA-RTHLEPHNSA-N 0 0 300.351 3.054 20 10 DGCDRN Oc1cc(O)c(CCNc2ccc3sccc3n2)cc1O ZINC001168008476 1086172477 /nfs/dbraw/zinc/17/24/77/1086172477.db2.gz AXBDZOKBPXEVKE-UHFFFAOYSA-N 0 0 302.355 3.068 20 10 DGCDRN Cc1cn(C)c2ccc(NCCc3cc(O)c(O)cc3O)cc12 ZINC001168016366 1086303142 /nfs/dbraw/zinc/30/31/42/1086303142.db2.gz LPCJXTXXYMXDFF-UHFFFAOYSA-N 0 0 312.369 3.258 20 10 DGCDRN CCOc1c(C)cc(C)cc1NCCc1cc(O)c(O)cc1O ZINC001168017892 1086323161 /nfs/dbraw/zinc/32/31/61/1086323161.db2.gz WRONXGZYFDIYHX-UHFFFAOYSA-N 0 0 317.385 3.474 20 10 DGCDRN O=C(Cc1ccc(Cl)s1)N1CCc2cccc(O)c2C1 ZINC001142241612 1086952258 /nfs/dbraw/zinc/95/22/58/1086952258.db2.gz SZLLQJXBMJVJGD-UHFFFAOYSA-N 0 0 307.802 3.235 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)CC1(O)CCC1 ZINC001142624580 1087383777 /nfs/dbraw/zinc/38/37/77/1087383777.db2.gz YCMSPPJMVTXNRP-QGZVFWFLSA-N 0 0 317.429 3.054 20 10 DGCDRN CC1(C)[C@@H]2C[N@@H+](Cc3c([O-])cc(Br)cc3F)C[C@@H]21 ZINC001233032174 1087646132 /nfs/dbraw/zinc/64/61/32/1087646132.db2.gz VMWXWMKBWHKZEI-PHIMTYICSA-N 0 0 314.198 3.382 20 10 DGCDRN CCc1cc2c(nc(Cl)nc2NCc2ccc(O)c(O)c2)[nH]1 ZINC001158997829 1088125602 /nfs/dbraw/zinc/12/56/02/1088125602.db2.gz PTMIWHXIZVZAMC-UHFFFAOYSA-N 0 0 318.764 3.149 20 10 DGCDRN Oc1ccc(CNc2ccc(-c3ccccc3F)nn2)cc1O ZINC001158997605 1088126680 /nfs/dbraw/zinc/12/66/80/1088126680.db2.gz MAKFGIHPNKZGKG-UHFFFAOYSA-N 0 0 311.316 3.306 20 10 DGCDRN O=[N+]([O-])c1cnc(NCc2ccc(O)c(O)c2)c2ccccc21 ZINC001158995935 1088126917 /nfs/dbraw/zinc/12/69/17/1088126917.db2.gz SAGVKKVCQPKRCU-UHFFFAOYSA-N 0 0 311.297 3.166 20 10 DGCDRN C/C(=C\c1ccccn1)C(=O)NCc1cccc(Cl)c1O ZINC001159041330 1088155554 /nfs/dbraw/zinc/15/55/54/1088155554.db2.gz IHOXIVDPCFDNEZ-PKNBQFBNSA-N 0 0 302.761 3.160 20 10 DGCDRN Nc1ccc(Nc2cc(Br)cn3ccnc23)cc1 ZINC001159170303 1088218167 /nfs/dbraw/zinc/21/81/67/1088218167.db2.gz JNEYEDPXTWDHNQ-UHFFFAOYSA-N 0 0 303.163 3.423 20 10 DGCDRN Cc1cnc(OC(C)C)c(NC(=O)c2ccc(C)c(O)c2O)c1 ZINC001159218520 1088238435 /nfs/dbraw/zinc/23/84/35/1088238435.db2.gz HUOYKALXTXTZGW-UHFFFAOYSA-N 0 0 316.357 3.149 20 10 DGCDRN O=C(CNc1cc(Cl)cc(Cl)n1)c1ccc(O)c(O)c1 ZINC001159273481 1088264547 /nfs/dbraw/zinc/26/45/47/1088264547.db2.gz WZIMMJQVLVMXTH-UHFFFAOYSA-N 0 0 313.140 3.094 20 10 DGCDRN CCc1cc(Nc2ccc(N)cc2)cc(OC)c1C(=O)OC ZINC001159486087 1088366664 /nfs/dbraw/zinc/36/66/64/1088366664.db2.gz WJMFUMBBVSFMAI-UHFFFAOYSA-N 0 0 300.358 3.370 20 10 DGCDRN C/C(=C\C(=O)NCc1cc(O)ccc1O)c1ccccc1Cl ZINC001153879576 1088393408 /nfs/dbraw/zinc/39/34/08/1088393408.db2.gz QOKSJNFUVOZYSZ-DHZHZOJOSA-N 0 0 317.772 3.471 20 10 DGCDRN CC(C)(CC(=O)NCc1cc(O)ccc1O)CC(F)(F)F ZINC001153885066 1088396384 /nfs/dbraw/zinc/39/63/84/1088396384.db2.gz KBLGVTDZPUJTSR-UHFFFAOYSA-N 0 0 305.296 3.083 20 10 DGCDRN CSc1ccc(/C=C/C(=O)NCc2cc(O)ccc2O)s1 ZINC001153889417 1088397875 /nfs/dbraw/zinc/39/78/75/1088397875.db2.gz PQNHENBTAWJGOU-ZZXKWVIFSA-N 0 0 321.423 3.211 20 10 DGCDRN Cc1nc(NCc2cc(Br)ccc2O)ncc1F ZINC001160012438 1088600468 /nfs/dbraw/zinc/60/04/68/1088600468.db2.gz NVPAIMAMAGCISH-UHFFFAOYSA-N 0 0 312.142 3.004 20 10 DGCDRN CCNC(=O)c1ccc(NCc2cc3ccccc3cc2O)nc1 ZINC001160205907 1088696705 /nfs/dbraw/zinc/69/67/05/1088696705.db2.gz BSKBHFKGOXGATE-UHFFFAOYSA-N 0 0 321.380 3.302 20 10 DGCDRN Oc1cc2ccccc2cc1CNc1cnc2cccnc2n1 ZINC001160206402 1088697362 /nfs/dbraw/zinc/69/73/62/1088697362.db2.gz HZKZWZGZCBAOHM-UHFFFAOYSA-N 0 0 302.337 3.496 20 10 DGCDRN O=C1Cc2cc(NCc3cc4ccccc4cc3O)ncc2N1 ZINC001160207811 1088697557 /nfs/dbraw/zinc/69/75/57/1088697557.db2.gz YYDXNZADTAJNCN-UHFFFAOYSA-N 0 0 305.337 3.047 20 10 DGCDRN CCN(Cc1ccccc1O)c1nc2ccc(Cl)nc2[nH]1 ZINC001154888913 1088810056 /nfs/dbraw/zinc/81/00/56/1088810056.db2.gz KCIQALLDBFAHJN-UHFFFAOYSA-N 0 0 302.765 3.343 20 10 DGCDRN CCN(Cc1ccccc1O)c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001154888968 1088811285 /nfs/dbraw/zinc/81/12/85/1088811285.db2.gz MLEYWSJTSVKPJV-UHFFFAOYSA-N 0 0 312.329 3.203 20 10 DGCDRN CCN(Cc1ccccc1O)c1nc(C)c(F)cc1C(=O)OC ZINC001154889115 1088814065 /nfs/dbraw/zinc/81/40/65/1088814065.db2.gz OSVXFXJYSIVLOB-UHFFFAOYSA-N 0 0 318.348 3.048 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2cccc3ncc(O)cc32)c(O)c1 ZINC001155054118 1088922180 /nfs/dbraw/zinc/92/21/80/1088922180.db2.gz VLDQYNXCOFMKOP-UHFFFAOYSA-N 0 0 322.364 3.193 20 10 DGCDRN CCOC(=O)c1cc(NCc2cccc(C)c2O)ncc1C ZINC001160768927 1088949984 /nfs/dbraw/zinc/94/99/84/1088949984.db2.gz FAUGVFLDHOYZIP-UHFFFAOYSA-N 0 0 300.358 3.193 20 10 DGCDRN Cc1cccc(CNc2ccc([N+](=O)[O-])c(OC(C)C)n2)c1O ZINC001160770407 1088951235 /nfs/dbraw/zinc/95/12/35/1088951235.db2.gz VDSQSLNSZNTGPR-UHFFFAOYSA-N 0 0 317.345 3.403 20 10 DGCDRN Cc1cccc(CNc2nc3ncccc3nc2Cl)c1O ZINC001160770168 1088951409 /nfs/dbraw/zinc/95/14/09/1088951409.db2.gz VKCZTHVHBUEQBV-UHFFFAOYSA-N 0 0 300.749 3.304 20 10 DGCDRN Cc1ccnc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1C1CC1 ZINC001155410175 1089099678 /nfs/dbraw/zinc/09/96/78/1089099678.db2.gz VFKNDMFPNRIDNZ-CLTKARDFSA-N 0 0 310.353 3.331 20 10 DGCDRN COc1ccc(CNC(=O)[C@H]2Cc3ccc(Cl)cc32)c(O)c1 ZINC001155575695 1089172414 /nfs/dbraw/zinc/17/24/14/1089172414.db2.gz XDAKHMBXMRMPOE-HNNXBMFYSA-N 0 0 317.772 3.010 20 10 DGCDRN O=C(NCc1ccccc1O)c1cccc2cc(CCO)ccc21 ZINC001155699880 1089218430 /nfs/dbraw/zinc/21/84/30/1089218430.db2.gz SXJYUIJSMHUBLF-UHFFFAOYSA-N 0 0 321.376 3.010 20 10 DGCDRN Oc1cc2c(cc1O)CN(c1nccc3ncsc31)CCC2 ZINC001155945243 1089309369 /nfs/dbraw/zinc/30/93/69/1089309369.db2.gz RPIUQFZTTJJLQG-UHFFFAOYSA-N 0 0 313.382 3.055 20 10 DGCDRN O=C(C[C@H]1CCc2ccccc2C1)NCc1c(O)cccc1F ZINC001156170507 1089416141 /nfs/dbraw/zinc/41/61/41/1089416141.db2.gz OMXPMLJDPNQHKZ-ZDUSSCGKSA-N 0 0 313.372 3.343 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@H]2c2ccccc2)cc1 ZINC001156206089 1089433671 /nfs/dbraw/zinc/43/36/71/1089433671.db2.gz NETSDZUYDJMCCT-GJZGRUSLSA-N 0 0 308.341 3.135 20 10 DGCDRN Cc1ccc(Cl)cc1CNC(=O)c1c(F)ccc(O)c1O ZINC001161870133 1089446104 /nfs/dbraw/zinc/44/61/04/1089446104.db2.gz ATVBVXXXEITJCC-UHFFFAOYSA-N 0 0 309.724 3.129 20 10 DGCDRN Cc1[nH]c2c(cccc2C(=O)NCc2c(O)cccc2O)c1C ZINC001156881063 1089729850 /nfs/dbraw/zinc/72/98/50/1089729850.db2.gz NSGRGBNDXMQYTC-UHFFFAOYSA-N 0 0 310.353 3.126 20 10 DGCDRN CN(C)c1ccc(CN(C)c2ccc(-c3ccccn3)nn2)cc1 ZINC001156920382 1089744128 /nfs/dbraw/zinc/74/41/28/1089744128.db2.gz BIPUVLDLNJRUNM-UHFFFAOYSA-N 0 0 319.412 3.241 20 10 DGCDRN CN(C)c1ccc(CN(C)c2ccc3ncc(F)cc3n2)cc1 ZINC001156920387 1089744273 /nfs/dbraw/zinc/74/42/73/1089744273.db2.gz BTVYJHYZJNSYPE-UHFFFAOYSA-N 0 0 310.376 3.471 20 10 DGCDRN CC(=O)Nc1c(C)ccnc1N(C)Cc1ccc(N(C)C)cc1 ZINC001156921292 1089745648 /nfs/dbraw/zinc/74/56/48/1089745648.db2.gz WSDRPSNVESHYTI-UHFFFAOYSA-N 0 0 312.417 3.051 20 10 DGCDRN COc1cc(N(C)Cc2scnc2C)c([N+](=O)[O-])cc1OC ZINC001162482015 1089754389 /nfs/dbraw/zinc/75/43/89/1089754389.db2.gz DCGBFDZMLXABDL-UHFFFAOYSA-N 0 0 323.374 3.013 20 10 DGCDRN Cn1cc(Cl)cc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001157037265 1089795442 /nfs/dbraw/zinc/79/54/42/1089795442.db2.gz QDVVCWJZAOSKBU-UHFFFAOYSA-N 0 0 314.772 3.467 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])CC[C@]1(C)O ZINC001236792621 1089863265 /nfs/dbraw/zinc/86/32/65/1089863265.db2.gz GEJONENKFSAQHU-OTYXRUKQSA-N 0 0 304.217 3.292 20 10 DGCDRN Oc1cc(O)c(CCNc2cc3ccsc3cn2)cc1O ZINC001157245441 1089891414 /nfs/dbraw/zinc/89/14/14/1089891414.db2.gz APJNWOJJHDHONT-UHFFFAOYSA-N 0 0 302.355 3.068 20 10 DGCDRN COc1ccc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c([O-])c1Cl ZINC001236811192 1089953937 /nfs/dbraw/zinc/95/39/37/1089953937.db2.gz HRZYMBRYANRWKN-CYBMUJFWSA-N 0 0 303.736 3.285 20 10 DGCDRN Nc1ccc(CNC(F)(F)c2cc(C3CC3)nnc2Cl)cc1 ZINC001162787572 1089957267 /nfs/dbraw/zinc/95/72/67/1089957267.db2.gz NKQZFOVTGJYGNS-UHFFFAOYSA-N 0 0 324.762 3.429 20 10 DGCDRN C[C@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)CC[C@@H]1O ZINC001237078146 1090283347 /nfs/dbraw/zinc/28/33/47/1090283347.db2.gz OLDVRVQBZXJYPI-CABZTGNLSA-N 0 0 304.217 3.292 20 10 DGCDRN Cc1snnc1-c1nc(-c2ccc(-c3cnco3)cc2)no1 ZINC001212405322 1090626650 /nfs/dbraw/zinc/62/66/50/1090626650.db2.gz OANRXFBDWUQLRW-UHFFFAOYSA-N 0 0 311.326 3.219 20 10 DGCDRN Cc1cc2c(cc1NC(=O)N[C@@H](C)c1ccccc1O)OCO2 ZINC001203299543 1090715790 /nfs/dbraw/zinc/71/57/90/1090715790.db2.gz RTBCTBKXBMJWPE-NSHDSACASA-N 0 0 314.341 3.312 20 10 DGCDRN Oc1ccccc1C[NH+]1CCN(c2nccc3ccccc32)CC1 ZINC001203556078 1090754779 /nfs/dbraw/zinc/75/47/79/1090754779.db2.gz JYRWSRRTNPTIIL-UHFFFAOYSA-N 0 0 319.408 3.263 20 10 DGCDRN CCOc1cccc(C[N@H+](CCC(=O)OC)C2CCCC2)c1O ZINC001203609485 1090766492 /nfs/dbraw/zinc/76/64/92/1090766492.db2.gz VJGRPDSQHONIJI-UHFFFAOYSA-N 0 0 321.417 3.099 20 10 DGCDRN Oc1ccc(Br)cc1CN1CCc2cnccc2C1 ZINC001203636230 1090771363 /nfs/dbraw/zinc/77/13/63/1090771363.db2.gz QHISITUSFVSEPZ-UHFFFAOYSA-N 0 0 319.202 3.108 20 10 DGCDRN Cc1cccc(N2CCN(Cc3cc(Cl)ccc3O)CC2)n1 ZINC001203648858 1090772557 /nfs/dbraw/zinc/77/25/57/1090772557.db2.gz YAYFAGFSMWWAHV-UHFFFAOYSA-N 0 0 317.820 3.071 20 10 DGCDRN COc1ccc(N2CCN(Cc3cccc(F)c3)CC2)c(C)c1 ZINC001203788622 1090805602 /nfs/dbraw/zinc/80/56/02/1090805602.db2.gz QGPWOMATLDMTBM-UHFFFAOYSA-N 0 0 314.404 3.465 20 10 DGCDRN Oc1ccc(CN2CC[C@@H](Oc3cc(F)ccc3F)C2)cc1O ZINC001203878457 1090825357 /nfs/dbraw/zinc/82/53/57/1090825357.db2.gz HAFOWVFKVYTTKM-CYBMUJFWSA-N 0 0 321.323 3.029 20 10 DGCDRN Oc1ccc(CN2CCOC[C@H]2c2ccccc2Cl)cc1O ZINC001203879932 1090826481 /nfs/dbraw/zinc/82/64/81/1090826481.db2.gz HHRKESZMXRRHTE-HNNXBMFYSA-N 0 0 319.788 3.325 20 10 DGCDRN Oc1ccc(CN(Cc2cccnc2)Cc2cccnc2)cc1O ZINC001203879382 1090826647 /nfs/dbraw/zinc/82/66/47/1090826647.db2.gz OYPWPOPEEOOCEJ-UHFFFAOYSA-N 0 0 321.380 3.090 20 10 DGCDRN CN(C)c1ccc(CN2CC(Oc3ccc(F)cc3)C2)cc1 ZINC001203937643 1090843835 /nfs/dbraw/zinc/84/38/35/1090843835.db2.gz IKCAEQDZQMWWDW-UHFFFAOYSA-N 0 0 300.377 3.155 20 10 DGCDRN CCOC(=O)[C@H]1CCCCN1Cc1ccc(N(CC)CC)cc1 ZINC001203938639 1090844292 /nfs/dbraw/zinc/84/42/92/1090844292.db2.gz ATBADXZWCZCXNQ-GOSISDBHSA-N 0 0 318.461 3.450 20 10 DGCDRN COc1cc2c(cn1)CCN(Cc1ccc(N3CCCC3)cc1)C2 ZINC001204329052 1090950897 /nfs/dbraw/zinc/95/08/97/1090950897.db2.gz DINVFGUXLFCWIA-UHFFFAOYSA-N 0 0 323.440 3.249 20 10 DGCDRN COc1cc(CN2CCC[C@@H]2c2ccc(C)nc2)cc(O)c1O ZINC001204346499 1090952884 /nfs/dbraw/zinc/95/28/84/1090952884.db2.gz SLCPOSIKFJFKNJ-OAHLLOKOSA-N 0 0 314.385 3.147 20 10 DGCDRN C[C@@H]1CN(Cc2cc(F)c(N(C)C)cc2F)C[C@H](C)S1 ZINC001204489131 1090980949 /nfs/dbraw/zinc/98/09/49/1090980949.db2.gz QNFAFMIUJSWBSW-PHIMTYICSA-N 0 0 300.418 3.357 20 10 DGCDRN COC(=O)[C@@H]1CCCCN1Cc1c(C)n(C)c2ccccc12 ZINC001138252482 1091126026 /nfs/dbraw/zinc/12/60/26/1091126026.db2.gz IHQHAXFFWBEDCY-KRWDZBQOSA-N 0 0 300.402 3.014 20 10 DGCDRN COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1c(C)n(C)c2ccccc12 ZINC001138259840 1091128359 /nfs/dbraw/zinc/12/83/59/1091128359.db2.gz OZHYFGJFGYNDFA-GLJUWKHASA-N 0 0 312.413 3.013 20 10 DGCDRN CN(C(=O)c1ccnc2c1CC(=O)N2)c1cccc2ccccc21 ZINC001292103464 1091132867 /nfs/dbraw/zinc/13/28/67/1091132867.db2.gz ANQSYJZVVOYIFU-UHFFFAOYSA-N 0 0 317.348 3.006 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cc3c([nH]2)CCCC3)cc1F ZINC001292278779 1091142297 /nfs/dbraw/zinc/14/22/97/1091142297.db2.gz WFOPVZOGJSXNFF-UHFFFAOYSA-N 0 0 315.392 3.029 20 10 DGCDRN Oc1c(C[N@@H+]2CCC[C@@H]2CF)cc2c3c1CCCN3CCC2 ZINC001138341434 1091146827 /nfs/dbraw/zinc/14/68/27/1091146827.db2.gz PBTULPBDQOWKIQ-OAHLLOKOSA-N 0 0 304.409 3.025 20 10 DGCDRN CN(c1ccc(N)cc1)C1=CCCN(C(=O)OC(C)(C)C)C1 ZINC001205254886 1091151475 /nfs/dbraw/zinc/15/14/75/1091151475.db2.gz VYWXKPJQJAMAML-UHFFFAOYSA-N 0 0 303.406 3.230 20 10 DGCDRN Cc1c(N)c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)ccc1F ZINC001138362232 1091154526 /nfs/dbraw/zinc/15/45/26/1091154526.db2.gz BSUHAOCXCXXQLE-LBPRGKRZSA-N 0 0 315.392 3.273 20 10 DGCDRN CCN(CC)c1ccc(CN2CCC(=O)C[C@H]2C)c(OC)c1 ZINC001138386750 1091161179 /nfs/dbraw/zinc/16/11/79/1091161179.db2.gz VRPSDGWQFMSCCO-CQSZACIVSA-N 0 0 304.434 3.095 20 10 DGCDRN COC(=O)[C@@H]1CCCCCN1C/C=C/c1ccc(N(C)C)cc1 ZINC001205346977 1091194475 /nfs/dbraw/zinc/19/44/75/1091194475.db2.gz INGLEUBEVIADAS-DVBCCOPCSA-N 0 0 316.445 3.183 20 10 DGCDRN CCOC(=O)[C@@H](C)N(Cc1cc(C(C)C)ccc1O)C1CC1 ZINC001205426390 1091217662 /nfs/dbraw/zinc/21/76/62/1091217662.db2.gz LECLUTMNSOAENG-CYBMUJFWSA-N 0 0 305.418 3.432 20 10 DGCDRN C[N@H+](Cc1ccc(-n2ccnc2)cc1)Cc1c([O-])cccc1F ZINC001137839607 1091219321 /nfs/dbraw/zinc/21/93/21/1091219321.db2.gz FQXPRYMYRGAFNW-UHFFFAOYSA-N 0 0 311.360 3.349 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ccnc(Cl)c1Cl ZINC001294673703 1091427516 /nfs/dbraw/zinc/42/75/16/1091427516.db2.gz QIOBFLMGJXQSRJ-UHFFFAOYSA-N 0 0 311.168 3.366 20 10 DGCDRN CSC1CC[NH+](Cc2c([O-])ccc3c(C)cc(=O)oc32)CC1 ZINC001139128847 1091458456 /nfs/dbraw/zinc/45/84/56/1091458456.db2.gz GOKLUTBQFAGYJN-UHFFFAOYSA-N 0 0 319.426 3.134 20 10 DGCDRN O=C(NCc1ccccc1O)c1ccc(O[C@@H]2CC2(F)F)cc1 ZINC001294926165 1091472472 /nfs/dbraw/zinc/47/24/72/1091472472.db2.gz YNWWNEPXOWRBCR-OAHLLOKOSA-N 0 0 319.307 3.109 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccccc2O)cc1-c1cnn(C)c1 ZINC001294925042 1091472549 /nfs/dbraw/zinc/47/25/49/1091472549.db2.gz LRAKEZSZOOJHGI-UHFFFAOYSA-N 0 0 321.380 3.031 20 10 DGCDRN CN(C)c1ccccc1C[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC001206077944 1091481319 /nfs/dbraw/zinc/48/13/19/1091481319.db2.gz QJLBSTNRANXBTN-UHFFFAOYSA-N 0 0 306.356 3.368 20 10 DGCDRN Oc1cc(F)c(F)cc1CNc1ccc(N2CCCC2)cn1 ZINC001206376554 1091604668 /nfs/dbraw/zinc/60/46/68/1091604668.db2.gz IXEJBUSBEUTVLW-UHFFFAOYSA-N 0 0 305.328 3.278 20 10 DGCDRN Cc1cc(CN2CCc3nc(Cl)ncc3C2)ccc1N(C)C ZINC001139672702 1091637736 /nfs/dbraw/zinc/63/77/36/1091637736.db2.gz CDFUVVGKCHRADX-UHFFFAOYSA-N 0 0 316.836 3.063 20 10 DGCDRN [O-]c1c(F)ccc(F)c1C[NH+]1CCC(c2ccccn2)CC1 ZINC001139682664 1091641628 /nfs/dbraw/zinc/64/16/28/1091641628.db2.gz APZCONBCQWCVSZ-UHFFFAOYSA-N 0 0 304.340 3.445 20 10 DGCDRN CN1CC[N@H+](Cc2c(F)ccc(F)c2[O-])C[C@@H]1c1ccccc1 ZINC001139685398 1091641734 /nfs/dbraw/zinc/64/17/34/1091641734.db2.gz XZUQUFPLCUOEFZ-QGZVFWFLSA-N 0 0 318.367 3.159 20 10 DGCDRN Cc1cnccc1O[C@@H]1CC[N@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139689765 1091643240 /nfs/dbraw/zinc/64/32/40/1091643240.db2.gz LXYGNSJWYTWGCX-GFCCVEGCSA-N 0 0 320.339 3.027 20 10 DGCDRN CCCN(C)CC(C)(C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC001206762614 1091728702 /nfs/dbraw/zinc/72/87/02/1091728702.db2.gz OOPWVLCGVQOLQO-UHFFFAOYSA-N 0 0 302.821 3.395 20 10 DGCDRN Cc1cc(C(=O)N2CCCCO2)c(C)n1-c1ccc(F)cc1 ZINC001296666637 1091778476 /nfs/dbraw/zinc/77/84/76/1091778476.db2.gz AJPFJVFYLRZAHU-UHFFFAOYSA-N 0 0 302.349 3.401 20 10 DGCDRN Cc1ccc(C)c(CN2[C@@H](CO)CCC[C@@H]2C(F)(F)F)c1O ZINC001140178656 1091791366 /nfs/dbraw/zinc/79/13/66/1091791366.db2.gz SQYFSLNNWOXODG-TZMCWYRMSA-N 0 0 317.351 3.287 20 10 DGCDRN Cc1ccc(C)c(CN2CC[C@@H]2N(C)C(=O)OC(C)(C)C)c1O ZINC001140184405 1091795637 /nfs/dbraw/zinc/79/56/37/1091795637.db2.gz SDAZCHGCULCTLZ-OAHLLOKOSA-N 0 0 320.433 3.408 20 10 DGCDRN CCCc1ccc(C(=O)NCc2ccc(OC)cc2O)s1 ZINC001296969132 1091816692 /nfs/dbraw/zinc/81/66/92/1091816692.db2.gz YLUOTMRUBOXPGM-UHFFFAOYSA-N 0 0 305.399 3.345 20 10 DGCDRN CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001140339925 1091832956 /nfs/dbraw/zinc/83/29/56/1091832956.db2.gz PDQGRAPGBWPAED-CYBMUJFWSA-N 0 0 324.852 3.126 20 10 DGCDRN CC(C)(C)OC(=O)N1CCN(Cc2c(O)cccc2Cl)C1 ZINC001140342650 1091835568 /nfs/dbraw/zinc/83/55/68/1091835568.db2.gz SJHPYHSNPFDSQT-UHFFFAOYSA-N 0 0 312.797 3.056 20 10 DGCDRN CCc1noc([C@@H]2CCC[N@H+](Cc3c(O)cccc3Cl)C2)n1 ZINC001140341733 1091836076 /nfs/dbraw/zinc/83/60/76/1091836076.db2.gz FIGPLTDXKHUCBV-LLVKDONJSA-N 0 0 321.808 3.371 20 10 DGCDRN Cc1ccc(C[NH2+]Cc2ccc(F)c(F)c2[O-])cc1[N+](=O)[O-] ZINC001207150242 1091863847 /nfs/dbraw/zinc/86/38/47/1091863847.db2.gz DPNQLXXQOISDKY-UHFFFAOYSA-N 0 0 308.284 3.177 20 10 DGCDRN Oc1cc(Cl)ccc1CN1CCc2nc(C3CC3)ncc2C1 ZINC001140465202 1091875547 /nfs/dbraw/zinc/87/55/47/1091875547.db2.gz HZZNSIWVRUZOPQ-UHFFFAOYSA-N 0 0 315.804 3.271 20 10 DGCDRN [O-]c1cc(F)cc(F)c1C[NH+]1CCC(c2cccnc2)CC1 ZINC001140584206 1091920682 /nfs/dbraw/zinc/92/06/82/1091920682.db2.gz JBVNQXXTWLGTEE-UHFFFAOYSA-N 0 0 304.340 3.445 20 10 DGCDRN COc1cc(CN(C)Cc2ccc(N(C)C)cc2C)sn1 ZINC001207666363 1092064463 /nfs/dbraw/zinc/06/44/63/1092064463.db2.gz XPHMUNUNXAEIAC-UHFFFAOYSA-N 0 0 305.447 3.158 20 10 DGCDRN Cc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)OC(C)(C)C)c(O)c1 ZINC001140950822 1092076769 /nfs/dbraw/zinc/07/67/69/1092076769.db2.gz JXAOUHYDLICEJD-OAHLLOKOSA-N 0 0 305.418 3.397 20 10 DGCDRN Cc1nc([C@@H]2COCCN2Cc2ccc(C)cc2O)cs1 ZINC001140952483 1092077907 /nfs/dbraw/zinc/07/79/07/1092077907.db2.gz UCKZLKYRJJHLHN-HNNXBMFYSA-N 0 0 304.415 3.039 20 10 DGCDRN COc1cc(O)c(CN2CCCC[C@@H]2C(F)(F)F)c(OC)c1 ZINC001141028416 1092111541 /nfs/dbraw/zinc/11/15/41/1092111541.db2.gz NNQOULHNSCWCMX-CQSZACIVSA-N 0 0 319.323 3.326 20 10 DGCDRN COc1cc(O)c(C[N@H+](C)CCc2cccc(F)c2)c(OC)c1 ZINC001141030637 1092112271 /nfs/dbraw/zinc/11/22/71/1092112271.db2.gz DYEDLODXUUQVNV-UHFFFAOYSA-N 0 0 319.376 3.223 20 10 DGCDRN COc1cc(O)c(C[N@@H+]2Cc3ccccc3C[C@H]2C)c(OC)c1 ZINC001141030660 1092112497 /nfs/dbraw/zinc/11/24/97/1092112497.db2.gz FPQBNSOIMJPOCK-CYBMUJFWSA-N 0 0 313.397 3.356 20 10 DGCDRN COc1cc(O)c(C[N@@H+]2CCc3c(C)cccc3C2)c(OC)c1 ZINC001141031977 1092112580 /nfs/dbraw/zinc/11/25/80/1092112580.db2.gz PBCIKCLXCSTTSV-UHFFFAOYSA-N 0 0 313.397 3.276 20 10 DGCDRN COc1cc(O)c(C[N@H+](C)CCc2ccccc2)c(OC)c1 ZINC001141032382 1092112896 /nfs/dbraw/zinc/11/28/96/1092112896.db2.gz ZZLYPUKLKMIFDP-UHFFFAOYSA-N 0 0 301.386 3.084 20 10 DGCDRN CC1(C)CN(C(=O)Cc2ccc(O)c(O)c2)[C@@H]1c1cccs1 ZINC001298860308 1092115870 /nfs/dbraw/zinc/11/58/70/1092115870.db2.gz PZPOGIIXNNKVTQ-MRXNPFEDSA-N 0 0 317.410 3.312 20 10 DGCDRN O=C(NCc1ccccc1O)C(F)(F)c1cc(F)cc(F)c1 ZINC001545682254 1092303934 /nfs/dbraw/zinc/30/39/34/1092303934.db2.gz YURCGLLXLBDFLK-UHFFFAOYSA-N 0 0 313.250 3.079 20 10 DGCDRN CCO[C@H]1C[C@@H](NC(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC001141956068 1092367309 /nfs/dbraw/zinc/36/73/09/1092367309.db2.gz NXLNRQNNERUDMP-OKILXGFUSA-N 0 0 318.442 3.453 20 10 DGCDRN COc1ccc(NC(=O)C2=CC(=O)CS2)c2cccnc12 ZINC001142165096 1092425512 /nfs/dbraw/zinc/42/55/12/1092425512.db2.gz VMIYSASGTDUMET-UHFFFAOYSA-N 0 0 300.339 3.263 20 10 DGCDRN Oc1cc(F)c(F)cc1CN1CCO[C@@H](c2ccccc2)C1 ZINC001142524992 1092494453 /nfs/dbraw/zinc/49/44/53/1092494453.db2.gz SGQNLFMWACSPOV-QGZVFWFLSA-N 0 0 305.324 3.244 20 10 DGCDRN C[C@H](C(=O)NCc1ccc2cccnc2c1O)c1ccsc1 ZINC001142728686 1092539496 /nfs/dbraw/zinc/53/94/96/1092539496.db2.gz ZWQIQAZITKGRSC-NSHDSACASA-N 0 0 312.394 3.422 20 10 DGCDRN COC(C)(C)C(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001143330930 1092656478 /nfs/dbraw/zinc/65/64/78/1092656478.db2.gz JNUVAALZHRVKLL-OAHLLOKOSA-N 0 0 305.418 3.174 20 10 DGCDRN Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)CO2 ZINC001149786323 1092731216 /nfs/dbraw/zinc/73/12/16/1092731216.db2.gz YQHJCUKKWMOVEB-CQSZACIVSA-N 0 0 324.340 3.021 20 10 DGCDRN COC(=O)[C@@H](C)N(C)Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001209518075 1092806170 /nfs/dbraw/zinc/80/61/70/1092806170.db2.gz MPBGTIXMRZWKSE-OAHLLOKOSA-N 0 0 300.402 3.087 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(CN2CC[C@@H](O)C(F)(F)C2)cc1 ZINC001209519673 1092808089 /nfs/dbraw/zinc/80/80/89/1092808089.db2.gz DNQMTIQWKPPKCU-QGZVFWFLSA-N 0 0 320.383 3.296 20 10 DGCDRN Cc1c[nH]nc1C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001151154400 1092870713 /nfs/dbraw/zinc/87/07/13/1092870713.db2.gz VELXVXSGMROWQW-UHFFFAOYSA-N 0 0 322.412 3.364 20 10 DGCDRN COC(Cc1ccccc1Nc1ccc2c(c1)OCCN2)OC ZINC001209766936 1092910986 /nfs/dbraw/zinc/91/09/86/1092910986.db2.gz YSBWSXKNPXMWGZ-UHFFFAOYSA-N 0 0 314.385 3.396 20 10 DGCDRN O=C(NC1CC1)c1ccccc1Nc1ccc2c(c1)OCCN2 ZINC001209766306 1092911521 /nfs/dbraw/zinc/91/15/21/1092911521.db2.gz NLCWPRJEGUHTMK-UHFFFAOYSA-N 0 0 309.369 3.127 20 10 DGCDRN CC1(C)c2ccc(Nc3ccc4c(c3)OCCN4)cc2NC1=O ZINC001209788535 1092924120 /nfs/dbraw/zinc/92/41/20/1092924120.db2.gz LZARXFRPDMWAPX-UHFFFAOYSA-N 0 0 309.369 3.464 20 10 DGCDRN COc1cc(OC)c(OC)cc1Nc1ccc2c(c1)OCCN2 ZINC001209788009 1092924308 /nfs/dbraw/zinc/92/43/08/1092924308.db2.gz AZFOVNKWSYXDAQ-UHFFFAOYSA-N 0 0 316.357 3.260 20 10 DGCDRN CC1(C)c2cc(Nc3ccc4c(c3)OCCN4)ccc2CNC1=O ZINC001209788762 1092924443 /nfs/dbraw/zinc/92/44/43/1092924443.db2.gz HLAFBNOHNFZFMF-UHFFFAOYSA-N 0 0 323.396 3.142 20 10 DGCDRN CN1Cc2cc(Nc3ccc4c(c3)OCCN4)ccc2N(C)C1=O ZINC001209792852 1092924897 /nfs/dbraw/zinc/92/48/97/1092924897.db2.gz WBNYRCBLNDVLNJ-UHFFFAOYSA-N 0 0 324.384 3.236 20 10 DGCDRN O=C(CCCO)c1ccc(Nc2ccc3c(c2)OCCN3)cc1 ZINC001209792831 1092925216 /nfs/dbraw/zinc/92/52/16/1092925216.db2.gz VBNJIBGECLCOKY-UHFFFAOYSA-N 0 0 312.369 3.190 20 10 DGCDRN Cc1cc(Cl)cc(N(c2ccc(N)cc2)S(C)(=O)=O)c1 ZINC001210464657 1093176947 /nfs/dbraw/zinc/17/69/47/1093176947.db2.gz ORFRHLYZCFLUSX-UHFFFAOYSA-N 0 0 310.806 3.328 20 10 DGCDRN COc1c(F)ccc(-c2noc(-c3cccc(O)c3O)n2)c1F ZINC001215145891 1093926731 /nfs/dbraw/zinc/92/67/31/1093926731.db2.gz PNVCPHTZUSZBQI-UHFFFAOYSA-N 0 0 320.251 3.102 20 10 DGCDRN Oc1cccc(-c2nc(-c3ccc4cnccc4c3)no2)c1O ZINC001215145884 1093927201 /nfs/dbraw/zinc/92/72/01/1093927201.db2.gz OWJYBRUQPGXOEI-UHFFFAOYSA-N 0 0 305.293 3.363 20 10 DGCDRN Cc1noc2ccc(-c3noc(-c4cccc(O)c4O)n3)cc12 ZINC001215145802 1093927294 /nfs/dbraw/zinc/92/72/94/1093927294.db2.gz KBFJOBIMWBXQJR-UHFFFAOYSA-N 0 0 309.281 3.264 20 10 DGCDRN COc1ccc(-c2noc(-c3cccc(O)c3O)n2)c(Cl)c1 ZINC001215145767 1093927300 /nfs/dbraw/zinc/92/73/00/1093927300.db2.gz IAEWTRFQTLRVCC-UHFFFAOYSA-N 0 0 318.716 3.477 20 10 DGCDRN Oc1cc(-c2nc(-c3ccc4cnccc4c3)no2)cc(O)c1O ZINC001215327698 1093961461 /nfs/dbraw/zinc/96/14/61/1093961461.db2.gz OVOVWSIYVYISDB-UHFFFAOYSA-N 0 0 321.292 3.069 20 10 DGCDRN Cc1cccc(-c2noc(-c3cc(O)c(O)c(O)c3)n2)c1Cl ZINC001215327796 1093961582 /nfs/dbraw/zinc/96/15/82/1093961582.db2.gz UDNHPLJNTXWIBT-UHFFFAOYSA-N 0 0 318.716 3.482 20 10 DGCDRN Oc1cc(-c2nc(-c3cccc4cccnc43)no2)cc(O)c1O ZINC001215327478 1093961614 /nfs/dbraw/zinc/96/16/14/1093961614.db2.gz COTJCTNXJKGXGW-UHFFFAOYSA-N 0 0 321.292 3.069 20 10 DGCDRN COc1ccc(N(CCO)c2ccc(N)cc2)cc1SC ZINC001215935010 1094090024 /nfs/dbraw/zinc/09/00/24/1094090024.db2.gz AMSJEGQUKADOOU-UHFFFAOYSA-N 0 0 304.415 3.130 20 10 DGCDRN CCOc1ccc(N(CCO)c2ccc(N)cc2)c(C)c1C ZINC001215991098 1094100889 /nfs/dbraw/zinc/10/08/89/1094100889.db2.gz UBQBIUJLLPZWHB-UHFFFAOYSA-N 0 0 300.402 3.415 20 10 DGCDRN CC[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)[C@@H](CC)CO1 ZINC000403837166 1094187650 /nfs/dbraw/zinc/18/76/50/1094187650.db2.gz CAEWWYBDAOAVNB-GJZGRUSLSA-N 0 0 309.381 3.123 20 10 DGCDRN Nc1ccc(N(c2ccccc2)C2=CCS(=O)(=O)CC2)cc1 ZINC001216567480 1094222071 /nfs/dbraw/zinc/22/20/71/1094222071.db2.gz AXOYGDHEGVETDX-UHFFFAOYSA-N 0 0 314.410 3.109 20 10 DGCDRN COc1cc(-c2nc(-c3cc(C)cc(C)c3)no2)cc(O)c1O ZINC001216944777 1094282323 /nfs/dbraw/zinc/28/23/23/1094282323.db2.gz WJZIFNYAJQCQEJ-UHFFFAOYSA-N 0 0 312.325 3.440 20 10 DGCDRN COc1cc(-c2nc(-c3ccc(Cl)cc3)no2)cc(O)c1O ZINC001216943658 1094282451 /nfs/dbraw/zinc/28/24/51/1094282451.db2.gz AOPBHJYQAXXSPJ-UHFFFAOYSA-N 0 0 318.716 3.477 20 10 DGCDRN COc1cc(-c2nc(-c3ccc(F)cc3F)no2)cc(O)c1O ZINC001216943677 1094282798 /nfs/dbraw/zinc/28/27/98/1094282798.db2.gz BMCFFKLNHFOOKK-UHFFFAOYSA-N 0 0 320.251 3.102 20 10 DGCDRN COc1cccc(-c2noc(-c3cc4cc(O)c(O)cc4[nH]3)n2)c1 ZINC001217471697 1094419418 /nfs/dbraw/zinc/41/94/18/1094419418.db2.gz QKPPHSIKBOKLQD-UHFFFAOYSA-N 0 0 323.308 3.305 20 10 DGCDRN Cc1cc(-c2noc(-c3cc4cc(O)c(O)cc4[nH]3)n2)cc(C)n1 ZINC001217471075 1094419608 /nfs/dbraw/zinc/41/96/08/1094419608.db2.gz DWBTYHFZOHLAEP-UHFFFAOYSA-N 0 0 322.324 3.308 20 10 DGCDRN CSc1cccc(NC(=O)N2Cc3cccc(O)c3C2)n1 ZINC001217552541 1094439406 /nfs/dbraw/zinc/43/94/06/1094439406.db2.gz IAHILRHFRCKUGF-UHFFFAOYSA-N 0 0 301.371 3.057 20 10 DGCDRN CCCCCCc1nnc(CNCc2ccc(OC)cc2O)o1 ZINC001217717293 1094483053 /nfs/dbraw/zinc/48/30/53/1094483053.db2.gz AGUUXAPYCHPPOH-UHFFFAOYSA-N 0 0 319.405 3.196 20 10 DGCDRN Nc1ccc(CNC(=O)N[C@H](C2CCC2)C2CCCC2)cc1 ZINC001120677349 1094488098 /nfs/dbraw/zinc/48/80/98/1094488098.db2.gz OFCBCQARGIVBFH-KRWDZBQOSA-N 0 0 301.434 3.427 20 10 DGCDRN NCc1ncc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)s1 ZINC001217756468 1094490118 /nfs/dbraw/zinc/49/01/18/1094490118.db2.gz VCEFVQIRADLPPT-UHFFFAOYSA-N 0 0 323.381 3.110 20 10 DGCDRN CC(C)CCOC1CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001120682316 1094490058 /nfs/dbraw/zinc/49/00/58/1094490058.db2.gz XNWLULQRHHJZAU-UHFFFAOYSA-N 0 0 319.449 3.006 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)/C=C\c2nccs2)cc1 ZINC001121020877 1094571596 /nfs/dbraw/zinc/57/15/96/1094571596.db2.gz WMMYOLVYSGGNJO-KTKRTIGZSA-N 0 0 315.442 3.319 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)CCCCCO)cc1 ZINC001135732921 1094656247 /nfs/dbraw/zinc/65/62/47/1094656247.db2.gz LUMPMYTXISPCAJ-UHFFFAOYSA-N 0 0 306.450 3.044 20 10 DGCDRN CC[C@H]1C[C@@H](C)CN1c1nnc(C2SC=CC2=O)n1CC ZINC001121668416 1094740245 /nfs/dbraw/zinc/74/02/45/1094740245.db2.gz AUJLZRJYSDRHGI-MNOVXSKESA-N 0 0 306.435 3.357 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCC[C@H]2OC)cc1 ZINC001135946001 1094762800 /nfs/dbraw/zinc/76/28/00/1094762800.db2.gz AKEOIPMBOPTJEA-ZWKOTPCHSA-N 0 0 318.461 3.306 20 10 DGCDRN C[C@](Cc1ccccc1)(NC(=O)NCc1ccc(N)cc1)C1CC1 ZINC001337019777 1094819669 /nfs/dbraw/zinc/81/96/69/1094819669.db2.gz UQSYIUADIMNLHR-HXUWFJFHSA-N 0 0 323.440 3.479 20 10 DGCDRN Nc1ccc(CNC(=O)N2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC001337019247 1094819974 /nfs/dbraw/zinc/81/99/74/1094819974.db2.gz PWOSETQXLBUQJY-GOSISDBHSA-N 0 0 324.428 3.055 20 10 DGCDRN Cc1noc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC001337048843 1094833917 /nfs/dbraw/zinc/83/39/17/1094833917.db2.gz IDKVKCZJYIGKFJ-LLVKDONJSA-N 0 0 324.331 3.060 20 10 DGCDRN Cc1cc(C)c2c(c1)CN(C(=O)NCc1ccc(N)cc1)CC2 ZINC001337070298 1094842874 /nfs/dbraw/zinc/84/28/74/1094842874.db2.gz MHXXDUJIHHVLHV-UHFFFAOYSA-N 0 0 309.413 3.154 20 10 DGCDRN C[C@@H](Cc1cccc(F)c1)N(C)C(=O)NCc1ccc(N)cc1 ZINC001337069964 1094843076 /nfs/dbraw/zinc/84/30/76/1094843076.db2.gz DPZWFPMIUKZBHP-ZDUSSCGKSA-N 0 0 315.392 3.181 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)Nc2ccc(Cl)nc2N)cc1 ZINC001218766666 1094865808 /nfs/dbraw/zinc/86/58/08/1094865808.db2.gz KYYAAEFXQXAWGS-BJMVGYQFSA-N 0 0 316.792 3.035 20 10 DGCDRN C[C@H](NC(=O)c1csc(Cc2ccc(N)cc2)n1)C1(C)CC1 ZINC001122451385 1094978819 /nfs/dbraw/zinc/97/88/19/1094978819.db2.gz LXEPODZCYDABFM-NSHDSACASA-N 0 0 315.442 3.235 20 10 DGCDRN O=C(NCc1cccc(Cl)c1Cl)c1cccc(O)c1O ZINC000693712825 1095002793 /nfs/dbraw/zinc/00/27/93/1095002793.db2.gz UHZNRXLQMPGWGL-UHFFFAOYSA-N 0 0 312.152 3.335 20 10 DGCDRN Cc1cc(C)cc(OC[C@H](C)NC(=O)Cc2ccc(N)cc2)c1 ZINC001219711111 1095011808 /nfs/dbraw/zinc/01/18/08/1095011808.db2.gz ABSTTZIBPHZXFX-HNNXBMFYSA-N 0 0 312.413 3.012 20 10 DGCDRN CN(C)c1ccc(NC(=O)N(C)Cc2ccccc2O)cc1F ZINC001219886303 1095029850 /nfs/dbraw/zinc/02/98/50/1095029850.db2.gz YYUHXRGVRXDMMD-UHFFFAOYSA-N 0 0 317.364 3.261 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)C3(C)CC=CC3)C2)cc1 ZINC001123074195 1095149932 /nfs/dbraw/zinc/14/99/32/1095149932.db2.gz MFQGBEGKDOANLO-HNNXBMFYSA-N 0 0 315.413 3.421 20 10 DGCDRN COc1cc(C)cc(CNc2ccc([S@](C)=O)cc2)c1O ZINC001338235039 1095231351 /nfs/dbraw/zinc/23/13/51/1095231351.db2.gz QUGULTSFBMGHSY-NRFANRHFSA-N 0 0 305.399 3.059 20 10 DGCDRN CC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccncc1 ZINC001136922931 1095236661 /nfs/dbraw/zinc/23/66/61/1095236661.db2.gz XIXSOMDHXLHJOO-CQSZACIVSA-N 0 0 311.345 3.125 20 10 DGCDRN CC1CCN(c2nnc(C3SC=CC3=O)n2CC2CC2)CC1 ZINC001123425116 1095290555 /nfs/dbraw/zinc/29/05/55/1095290555.db2.gz WKALZYHATLVLFJ-UHFFFAOYSA-N 0 0 318.446 3.359 20 10 DGCDRN COc1cc(F)cc(NC(=O)N(C)Cc2ccccc2O)c1 ZINC000124778705 1095323486 /nfs/dbraw/zinc/32/34/86/1095323486.db2.gz UQZCGVLLHFUXSY-UHFFFAOYSA-N 0 0 304.321 3.204 20 10 DGCDRN CSC1CCC(CNC(=O)NCCc2ccc(N)cc2)CC1 ZINC001338626633 1095347672 /nfs/dbraw/zinc/34/76/72/1095347672.db2.gz MFJQCUKCHOFTAM-UHFFFAOYSA-N 0 0 321.490 3.032 20 10 DGCDRN S=C(NCc1ccc(N2CCCC2)cc1)NCC1CCC1 ZINC001115960968 1095424761 /nfs/dbraw/zinc/42/47/61/1095424761.db2.gz GFZAGUQYPICCDV-UHFFFAOYSA-N 0 0 303.475 3.051 20 10 DGCDRN O=C(Cc1ccc(C2CCC2)cc1)NCc1ccc(O)cc1O ZINC001123808690 1095443327 /nfs/dbraw/zinc/44/33/27/1095443327.db2.gz IYQOGNBGEWXWRA-UHFFFAOYSA-N 0 0 311.381 3.224 20 10 DGCDRN [O-]c1cc(F)c(Br)cc1C[NH+]1CCC(F)CC1 ZINC001144298967 1095592463 /nfs/dbraw/zinc/59/24/63/1095592463.db2.gz NDPVUGSQHKQYBT-UHFFFAOYSA-N 0 0 306.150 3.228 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C[C@@H]1CCCOC1 ZINC001124550146 1095602840 /nfs/dbraw/zinc/60/28/40/1095602840.db2.gz ZWBKFJUOXFJXJY-KRWDZBQOSA-N 0 0 316.445 3.062 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)/C=C\c1cccnc1 ZINC001124551054 1095602869 /nfs/dbraw/zinc/60/28/69/1095602869.db2.gz LUUDDVGMUGGEHG-FLIBITNWSA-N 0 0 321.424 3.354 20 10 DGCDRN CCCN(CC)c1nnc(C2Sc3ncccc3C2=O)n1C ZINC001339381256 1095607352 /nfs/dbraw/zinc/60/73/52/1095607352.db2.gz MKRHQIAZMZCLSW-UHFFFAOYSA-N 0 0 317.418 3.034 20 10 DGCDRN C[C@H]([NH2+]CCc1ccc(N(C)C)cc1)c1ccc(F)cc1[O-] ZINC001116584529 1095608465 /nfs/dbraw/zinc/60/84/65/1095608465.db2.gz HMOQJMNUVXJAQL-ZDUSSCGKSA-N 0 0 302.393 3.491 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001116811594 1095666382 /nfs/dbraw/zinc/66/63/82/1095666382.db2.gz ITOKZWSWRYEJRH-QWHCGFSZSA-N 0 0 320.389 3.321 20 10 DGCDRN COC(=O)c1ccccc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001137791501 1095743836 /nfs/dbraw/zinc/74/38/36/1095743836.db2.gz HMTJBVFEZOALRO-UHFFFAOYSA-N 0 0 312.413 3.171 20 10 DGCDRN CCC[C@H]1CC[C@H](C(=O)NCC(=O)c2ccc(O)c(O)c2)CC1 ZINC001144643816 1095751723 /nfs/dbraw/zinc/75/17/23/1095751723.db2.gz CFCVDPGSGIXRFB-JOCQHMNTSA-N 0 0 319.401 3.003 20 10 DGCDRN COC(CN(Cc1ccccc1)Cc1c(O)cccc1F)OC ZINC001137831535 1095755425 /nfs/dbraw/zinc/75/54/25/1095755425.db2.gz DCVKNORKRAPLEI-UHFFFAOYSA-N 0 0 319.376 3.152 20 10 DGCDRN COc1ccc(CC[N@H+](C)Cc2c([O-])cccc2F)cc1OC ZINC001137831967 1095757193 /nfs/dbraw/zinc/75/71/93/1095757193.db2.gz VKJKPLBWNCTMLX-UHFFFAOYSA-N 0 0 319.376 3.223 20 10 DGCDRN COC(=O)/C=C/c1ccc(N2CC(C)(C)C2(C)C)c([N+](=O)[O-])c1 ZINC001339890017 1095769202 /nfs/dbraw/zinc/76/92/02/1095769202.db2.gz BOBSATLBHBHLSY-VQHVLOKHSA-N 0 0 318.373 3.406 20 10 DGCDRN Cc1cc(CN2CCc3c(cnn3C)C2)c(C)n1-c1ccccc1 ZINC001137859271 1095769939 /nfs/dbraw/zinc/76/99/39/1095769939.db2.gz QSKDOWCPNALOCE-UHFFFAOYSA-N 0 0 320.440 3.386 20 10 DGCDRN Cc1ccc(C(=O)NCc2cccc3ccccc32)c(O)c1O ZINC001144751994 1095798325 /nfs/dbraw/zinc/79/83/25/1095798325.db2.gz CLWABKWYFPEQOT-UHFFFAOYSA-N 0 0 307.349 3.489 20 10 DGCDRN CC(C)(C)OC(=O)C[C@@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001138129739 1095900787 /nfs/dbraw/zinc/90/07/87/1095900787.db2.gz UHPRMLFBKSYEJV-LBPRGKRZSA-N 0 0 309.381 3.085 20 10 DGCDRN CC(=O)N(C)c1ccc(NCc2ccc(N3CCCC3)cc2)cn1 ZINC001117960655 1095911357 /nfs/dbraw/zinc/91/13/57/1095911357.db2.gz YKCDVSNRWAZVFB-UHFFFAOYSA-N 0 0 324.428 3.277 20 10 DGCDRN COC(=O)c1cnc(Cl)cc1NCc1c(C)cc(C)cc1O ZINC001160808081 1095966734 /nfs/dbraw/zinc/96/67/34/1095966734.db2.gz IWVFKZSLISCPJR-UHFFFAOYSA-N 0 0 320.776 3.456 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCC[C@H](F)C2)cc1 ZINC001118334212 1095982996 /nfs/dbraw/zinc/98/29/96/1095982996.db2.gz VEVFKKGFVLGOKH-CABCVRRESA-N 0 0 322.424 3.118 20 10 DGCDRN C[C@H](CC(=O)NCc1ccc2c(c1)CCCN2C)C(F)(F)F ZINC001118811693 1096082187 /nfs/dbraw/zinc/08/21/87/1096082187.db2.gz GSOPRPDBSMFUTJ-LLVKDONJSA-N 0 0 314.351 3.274 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)S3)cc1OC ZINC001118810494 1096082333 /nfs/dbraw/zinc/08/23/33/1096082333.db2.gz JAYLFZARRAKMRT-MNOVXSKESA-N 0 0 324.402 3.086 20 10 DGCDRN CCO[C@@H](C(=O)NCc1ccc(N(CC)CC)c(F)c1)C1CC1 ZINC001118877227 1096097295 /nfs/dbraw/zinc/09/72/95/1096097295.db2.gz CNOPXVORVADQJV-QGZVFWFLSA-N 0 0 322.424 3.103 20 10 DGCDRN Cc1nc(CSCC(=O)NCc2cc(C)ccc2O)cs1 ZINC001118948070 1096110221 /nfs/dbraw/zinc/11/02/21/1096110221.db2.gz WWNNBRWEZLUCCW-UHFFFAOYSA-N 0 0 322.455 3.015 20 10 DGCDRN COc1cccc([C@@H](C)NC(=O)NCc2c(O)cccc2F)c1 ZINC001224159449 1096148170 /nfs/dbraw/zinc/14/81/70/1096148170.db2.gz GDVSSFRYLGWQJR-LLVKDONJSA-N 0 0 318.348 3.100 20 10 DGCDRN O=C(NCCc1ccsc1)NCc1cccc(Cl)c1O ZINC001224401050 1096201317 /nfs/dbraw/zinc/20/13/17/1096201317.db2.gz UAAXUTBLEVQYPV-UHFFFAOYSA-N 0 0 310.806 3.149 20 10 DGCDRN O=C(N[C@@H]1C[C@H]1c1ccccc1Cl)c1cccc(O)c1O ZINC001147580305 1096242933 /nfs/dbraw/zinc/24/29/33/1096242933.db2.gz GWMJVHGSAPUUEV-WCQYABFASA-N 0 0 303.745 3.037 20 10 DGCDRN Cn1nc(CNCc2ccc(N3CCCC3)cc2)cc1C1CC1 ZINC001119683078 1096244665 /nfs/dbraw/zinc/24/46/65/1096244665.db2.gz HAWMEPICEXOMKG-UHFFFAOYSA-N 0 0 310.445 3.188 20 10 DGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)c2cc(=O)cco2)cc1 ZINC001147604638 1096246684 /nfs/dbraw/zinc/24/66/84/1096246684.db2.gz GCYWQGSCUKHNNG-UHFFFAOYSA-N 0 0 320.348 3.069 20 10 DGCDRN O=C(NCCCC(F)F)c1cc2cc(O)c(O)cc2s1 ZINC001119709557 1096249864 /nfs/dbraw/zinc/24/98/64/1096249864.db2.gz RZIYJLDFUXRSMW-UHFFFAOYSA-N 0 0 301.314 3.088 20 10 DGCDRN C[C@@H](NC(=O)c1cccc(O)c1O)c1cccc(Cl)c1F ZINC001148220173 1096329403 /nfs/dbraw/zinc/32/94/03/1096329403.db2.gz VUYQJSIHWONUEM-MRVPVSSYSA-N 0 0 309.724 3.381 20 10 DGCDRN Oc1cc2ccccc2cc1CNc1cc2cncnc2cn1 ZINC001171399538 1096660086 /nfs/dbraw/zinc/66/00/86/1096660086.db2.gz JXFSNJLYUWTBLB-UHFFFAOYSA-N 0 0 302.337 3.496 20 10 DGCDRN CCc1nnc(NCc2cc3ccccc3cc2O)nc1CC ZINC001171402815 1096671334 /nfs/dbraw/zinc/67/13/34/1096671334.db2.gz SJYXKIOETPOYOR-UHFFFAOYSA-N 0 0 308.385 3.467 20 10 DGCDRN Cn1nnc2ccc(NCc3cc4ccccc4cc3O)cc21 ZINC001171404364 1096674968 /nfs/dbraw/zinc/67/49/68/1096674968.db2.gz BFSIKUZIIWQUCM-UHFFFAOYSA-N 0 0 304.353 3.439 20 10 DGCDRN COC(=O)c1nccc(NCc2cc3ccccc3cc2O)c1C ZINC001171406625 1096676133 /nfs/dbraw/zinc/67/61/33/1096676133.db2.gz BIZPRJREPHLWFK-UHFFFAOYSA-N 0 0 322.364 3.069 20 10 DGCDRN O=c1cc2[nH]cc(NCc3cc4ccccc4cc3O)cc-2[nH]1 ZINC001171405518 1096676201 /nfs/dbraw/zinc/67/62/01/1096676201.db2.gz YKZBDFROKZRVRN-UHFFFAOYSA-N 0 0 305.337 3.047 20 10 DGCDRN Oc1cc2ccccc2cc1CNc1cnc2c(c1)CCCN2 ZINC001171407624 1096690594 /nfs/dbraw/zinc/69/05/94/1096690594.db2.gz RACTWMDEHVYMNH-UHFFFAOYSA-N 0 0 305.381 3.198 20 10 DGCDRN CC(C)[C@H]1CC[C@H](C)C[C@H]1Oc1c(O)c(O)c(O)c(O)c1O ZINC001226464499 1096696126 /nfs/dbraw/zinc/69/61/26/1096696126.db2.gz INTNDPKERQDPDG-IVZWLZJFSA-N 0 0 312.362 3.054 20 10 DGCDRN CCCCC1CCC(Oc2c(O)c(O)c(O)c(O)c2O)CC1 ZINC001226467245 1096696930 /nfs/dbraw/zinc/69/69/30/1096696930.db2.gz GHMCDJQZWULOIX-UHFFFAOYSA-N 0 0 312.362 3.342 20 10 DGCDRN COC(=O)c1ccc(F)c(CN(C)c2ccc(OC)cc2)c1 ZINC001171745666 1096960880 /nfs/dbraw/zinc/96/08/80/1096960880.db2.gz ATQITDQPKNJUBU-UHFFFAOYSA-N 0 0 303.333 3.257 20 10 DGCDRN CCOC[C@H](C)Oc1c(O)c(O)ccc1C(=O)c1ccccc1 ZINC001227938507 1097016995 /nfs/dbraw/zinc/01/69/95/1097016995.db2.gz VSRPAIDSOKHUIC-LBPRGKRZSA-N 0 0 316.353 3.133 20 10 DGCDRN O=C1c2ccccc2C(=O)c2c(OC[C@@H]3CCCO3)cccc21 ZINC001228072569 1097044751 /nfs/dbraw/zinc/04/47/51/1097044751.db2.gz BMSJAYBGUMBCJJ-LBPRGKRZSA-N 0 0 308.333 3.020 20 10 DGCDRN CC[C@@H](C)[C@@H](C)Oc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC001228201764 1097072419 /nfs/dbraw/zinc/07/24/19/1097072419.db2.gz PVWPYJWFWOADOM-HUUCEWRRSA-N 0 0 304.434 3.169 20 10 DGCDRN COc1cc(F)ccc1-c1noc(-c2nnsc2C2CC2)n1 ZINC001212679678 1097227818 /nfs/dbraw/zinc/22/78/18/1097227818.db2.gz OMRIHBPBXSROQI-UHFFFAOYSA-N 0 0 318.333 3.280 20 10 DGCDRN CC(C)[C@@H]1C[C@H]1NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001229772728 1097382856 /nfs/dbraw/zinc/38/28/56/1097382856.db2.gz IHPTVUHBABOPIH-ZWKOTPCHSA-N 0 0 315.461 3.473 20 10 DGCDRN Cc1cc(C)c(N(c2ccc(N)cc2)S(C)(=O)=O)c(C)c1 ZINC001173844872 1097518225 /nfs/dbraw/zinc/51/82/25/1097518225.db2.gz UZTUFNPSYDHGIH-UHFFFAOYSA-N 0 0 304.415 3.292 20 10 DGCDRN COc1ccc(Nc2ccccc2C(=O)c2ccncc2)cn1 ZINC001173960546 1097550805 /nfs/dbraw/zinc/55/08/05/1097550805.db2.gz BUAVBUYLBYTFKQ-UHFFFAOYSA-N 0 0 305.337 3.460 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC[C@H]2CCc3ccccc3C2)c1 ZINC001231058343 1097658053 /nfs/dbraw/zinc/65/80/53/1097658053.db2.gz BMKIZXZTMJIURL-HNNXBMFYSA-N 0 0 324.424 3.305 20 10 DGCDRN O=C1c2ccccc2C(=O)c2cc(OC3CC4(COC4)C3)ccc21 ZINC001231266525 1097708180 /nfs/dbraw/zinc/70/81/80/1097708180.db2.gz XGFWXOVZGNJGFP-UHFFFAOYSA-N 0 0 320.344 3.020 20 10 DGCDRN C[C@H]1CC[C@@H](COc2ccc3c(c2)C(=O)c2ccccc2C3=O)O1 ZINC001231266333 1097708481 /nfs/dbraw/zinc/70/84/81/1097708481.db2.gz RZWCWCKRPPDOAI-JSGCOSHPSA-N 0 0 322.360 3.408 20 10 DGCDRN O=C(c1ccc(O)c(O)c1)c1ccc(O)cc1O[C@@H]1C=CCC1 ZINC001231344781 1097725766 /nfs/dbraw/zinc/72/57/66/1097725766.db2.gz LQBPPTJJHREASF-CYBMUJFWSA-N 0 0 312.321 3.132 20 10 DGCDRN O=C([O-])c1ccc(C[NH+]2CCC(c3ccccc3)CC2)c(O)c1 ZINC001231450477 1097751780 /nfs/dbraw/zinc/75/17/80/1097751780.db2.gz RRMOLHUSELJUNM-UHFFFAOYSA-N 0 0 311.381 3.470 20 10 DGCDRN C[N@H+](Cc1cccc(Cl)c1)Cc1ccc(C(=O)[O-])cc1O ZINC001231450219 1097752334 /nfs/dbraw/zinc/75/23/34/1097752334.db2.gz BQFCCROQFXEJLC-UHFFFAOYSA-N 0 0 305.761 3.376 20 10 DGCDRN CC[N@H+](Cc1cccc(OC)c1)Cc1ccc(C(=O)[O-])cc1O ZINC001231454630 1097754017 /nfs/dbraw/zinc/75/40/17/1097754017.db2.gz HFJOSJKNIAHRSU-UHFFFAOYSA-N 0 0 315.369 3.121 20 10 DGCDRN COCCn1cc(Nc2ccccc2Cc2ccc(N)cc2)cn1 ZINC001174552684 1097776026 /nfs/dbraw/zinc/77/60/26/1097776026.db2.gz VZNQMWGMNSXXNC-UHFFFAOYSA-N 0 0 322.412 3.446 20 10 DGCDRN C[N@@H+](Cc1cc(C(=O)[O-])ccc1O)Cc1ccccc1Cl ZINC001231562890 1097779568 /nfs/dbraw/zinc/77/95/68/1097779568.db2.gz AMPJQDWMXNCIBD-UHFFFAOYSA-N 0 0 305.761 3.376 20 10 DGCDRN Oc1ccc2ccccc2c1C[N@@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001231591199 1097787577 /nfs/dbraw/zinc/78/75/77/1097787577.db2.gz YEHOXILHOQKOBW-OKILXGFUSA-N 0 0 319.351 3.259 20 10 DGCDRN Cc1cccc(C[N@@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)c1O ZINC001231591295 1097787600 /nfs/dbraw/zinc/78/76/00/1097787600.db2.gz ZQTMFJZHZQGOHZ-CQSZACIVSA-N 0 0 307.390 3.227 20 10 DGCDRN Cc1cc(O)c(CN2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)cc1Cl ZINC001231869950 1097869507 /nfs/dbraw/zinc/86/95/07/1097869507.db2.gz BRIHDQWYPNIWHW-GAFUQQFSSA-N 0 0 321.726 3.258 20 10 DGCDRN Oc1c(CN2C[C@@H]3C[C@H]2[C@H](C(F)(F)F)O3)ccc2ccccc21 ZINC001231881162 1097876714 /nfs/dbraw/zinc/87/67/14/1097876714.db2.gz TWWHIJTXBKLZAD-DUVNUKRYSA-N 0 0 323.314 3.449 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC001231912537 1097889753 /nfs/dbraw/zinc/88/97/53/1097889753.db2.gz MAXNBPVTYRUQSL-AWEZNQCLSA-N 0 0 304.777 3.094 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001231912579 1097891182 /nfs/dbraw/zinc/89/11/82/1097891182.db2.gz PDJLJARLMZYMAJ-ZDUSSCGKSA-N 0 0 303.736 3.046 20 10 DGCDRN CC[C@@H]1[N@H+](Cc2cccc(Cl)c2[O-])CCC[C@]12CCC(=O)N2 ZINC001231911533 1097891283 /nfs/dbraw/zinc/89/12/83/1097891283.db2.gz NGSHIFRXJFDQND-YOEHRIQHSA-N 0 0 322.836 3.069 20 10 DGCDRN C[N@@H+](Cc1cccc(Cl)c1[O-])C[C@H]1Cc2ccccc2O1 ZINC001231913572 1097891978 /nfs/dbraw/zinc/89/19/78/1097891978.db2.gz NIANNWFEFRLFEL-CQSZACIVSA-N 0 0 303.789 3.481 20 10 DGCDRN CCOc1ccc(N2CCN(Cc3ncsc3C)CC2)cc1 ZINC001232206003 1097965192 /nfs/dbraw/zinc/96/51/92/1097965192.db2.gz ZWWZRTBADVLJLJ-UHFFFAOYSA-N 0 0 317.458 3.172 20 10 DGCDRN CN(Cc1cnc(Cl)s1)Cc1cc(Cl)c(O)cc1O ZINC001232259009 1097985373 /nfs/dbraw/zinc/98/53/73/1097985373.db2.gz GUPJVKYMXTVCCG-UHFFFAOYSA-N 0 0 319.213 3.493 20 10 DGCDRN CCOc1ccc(N(CCO[C@@H]2CCOC2)CC2CC2)cc1 ZINC001175371978 1098027957 /nfs/dbraw/zinc/02/79/57/1098027957.db2.gz PRFJLZWHOILUNK-GOSISDBHSA-N 0 0 305.418 3.107 20 10 DGCDRN COc1ccccc1[C@@H]1CCCN1Cc1cc(O)c(O)c(O)c1 ZINC001233014081 1098203619 /nfs/dbraw/zinc/20/36/19/1098203619.db2.gz YIJFKOWLNLIISX-AWEZNQCLSA-N 0 0 315.369 3.149 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC[C@@](CF)(C(F)(F)F)C2)ccc(F)c1F ZINC001233074827 1098219544 /nfs/dbraw/zinc/21/95/44/1098219544.db2.gz XRWHFGPIDLHDPV-LBPRGKRZSA-N 0 0 313.241 3.394 20 10 DGCDRN Cc1cccc(N2CC[NH+](Cc3ccc(F)c(F)c3[O-])CC2)c1 ZINC001233073913 1098219575 /nfs/dbraw/zinc/21/95/75/1098219575.db2.gz GNEKJDQPFYLSDR-UHFFFAOYSA-N 0 0 318.367 3.301 20 10 DGCDRN COc1ccncc1-n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001176116901 1098264363 /nfs/dbraw/zinc/26/43/63/1098264363.db2.gz PMTQZHLEMFLCAU-QNUODCBWSA-N 0 0 320.356 3.358 20 10 DGCDRN COc1cc(Cl)cc(CN2CCC(=O)[C@@H]3CCCC[C@H]32)c1O ZINC001233287274 1098276005 /nfs/dbraw/zinc/27/60/05/1098276005.db2.gz FPIMMAJXRRRSNK-ZIAGYGMSSA-N 0 0 323.820 3.388 20 10 DGCDRN COc1cc(Cl)cc(CN2CCc3ccncc3C2)c1O ZINC001233290099 1098277612 /nfs/dbraw/zinc/27/76/12/1098277612.db2.gz JGYDQDLCPQHMPS-UHFFFAOYSA-N 0 0 304.777 3.008 20 10 DGCDRN COc1cc(Cl)cc(CN2CC(F)(F)C[C@H]2CF)c1O ZINC001233287866 1098278338 /nfs/dbraw/zinc/27/83/38/1098278338.db2.gz KQMQEDDTIMZHLH-JTQLQIEISA-N 0 0 309.715 3.233 20 10 DGCDRN COc1ccc(CC[N@H+](C)Cc2c([O-])ccc(F)c2F)cc1 ZINC001233335349 1098292300 /nfs/dbraw/zinc/29/23/00/1098292300.db2.gz RIEOYKWXOHRKHD-UHFFFAOYSA-N 0 0 307.340 3.354 20 10 DGCDRN Oc1ccc(F)c(F)c1CN1CC[C@@H]1COCc1ccccc1 ZINC001233334324 1098292431 /nfs/dbraw/zinc/29/24/31/1098292431.db2.gz BTHAAMOBICKTQC-CQSZACIVSA-N 0 0 319.351 3.462 20 10 DGCDRN C[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CC[C@]1(C)O ZINC001233415783 1098321631 /nfs/dbraw/zinc/32/16/31/1098321631.db2.gz IQTQFLUHGJCCBC-HZMBPMFUSA-N 0 0 303.324 3.004 20 10 DGCDRN [O-]c1c(C[NH+]2CC3(C2)C[C@H](F)CS3)cccc1C(F)(F)F ZINC001233419318 1098325809 /nfs/dbraw/zinc/32/58/09/1098325809.db2.gz TVMYPBJSCXKWJP-JTQLQIEISA-N 0 0 321.339 3.440 20 10 DGCDRN [O-]c1c(C[N@@H+]2CCC[C@@]3(CCO3)C2)cccc1C(F)(F)F ZINC001233418390 1098326188 /nfs/dbraw/zinc/32/61/88/1098326188.db2.gz FKAZZSHORRJVDH-CQSZACIVSA-N 0 0 301.308 3.166 20 10 DGCDRN Nc1ccc(N(CCO)c2ccc(OC(F)(F)F)cc2)cc1 ZINC001176641102 1098395749 /nfs/dbraw/zinc/39/57/49/1098395749.db2.gz DQJYAKXYEVYKLQ-UHFFFAOYSA-N 0 0 312.291 3.298 20 10 DGCDRN CCOc1cc(Cl)ccc1C(=O)NCc1cc(O)ccc1O ZINC001176754390 1098434414 /nfs/dbraw/zinc/43/44/14/1098434414.db2.gz BVAMBKZQGDVGQY-UHFFFAOYSA-N 0 0 321.760 3.080 20 10 DGCDRN CC1(C)CC(Oc2nc[nH]c3cc(=O)c(O)cc2-3)CC(C)(C)O1 ZINC001233948698 1098464683 /nfs/dbraw/zinc/46/46/83/1098464683.db2.gz JDJDBIDFIAYXNC-UHFFFAOYSA-N 0 0 318.373 3.156 20 10 DGCDRN C[C@@H](Oc1nc[nH]c2cc(=O)c(O)cc1-2)c1ccccc1F ZINC001233948976 1098465060 /nfs/dbraw/zinc/46/50/60/1098465060.db2.gz RQVWEAWJBVTZRE-SECBINFHSA-N 0 0 300.289 3.320 20 10 DGCDRN Cc1ccn(CC(=O)N(Cc2ccccc2)c2ccc(N)cc2)n1 ZINC001177062891 1098470239 /nfs/dbraw/zinc/47/02/39/1098470239.db2.gz QHQCKYJXIFWPRV-UHFFFAOYSA-N 0 0 320.396 3.007 20 10 DGCDRN C[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])N1CCC[C@@H](C)C1 ZINC001177262680 1098509183 /nfs/dbraw/zinc/50/91/83/1098509183.db2.gz XEWJEDAFFXUPMJ-NEPJUHHUSA-N 0 0 314.832 3.395 20 10 DGCDRN Cc1ccc(OC[C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC001177537327 1098551438 /nfs/dbraw/zinc/55/14/38/1098551438.db2.gz NYGMLMLCFJIKFQ-CYBMUJFWSA-N 0 0 316.357 3.166 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1O[C@H](C)COc1ccc(C)cc1 ZINC001234476717 1098566190 /nfs/dbraw/zinc/56/61/90/1098566190.db2.gz OHFFTNHPWPHJER-GFCCVEGCSA-N 0 0 316.353 3.455 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3C[C@H]4OC[C@@H](C)[C@H]4C3)c2c1 ZINC001234562890 1098602388 /nfs/dbraw/zinc/60/23/88/1098602388.db2.gz WVCCJRQPZDLATF-SMNXXWJPSA-N 0 0 313.397 3.021 20 10 DGCDRN O=c1cc2[nH]c(-c3ccccc3)cc(O)c-2c(OC2CC2)c1O ZINC001234681917 1098642973 /nfs/dbraw/zinc/64/29/73/1098642973.db2.gz IROOBSYYYGOOPQ-UHFFFAOYSA-N 0 0 309.321 3.148 20 10 DGCDRN CO[C@]1(C)C[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1(C)C ZINC001177928321 1098657939 /nfs/dbraw/zinc/65/79/39/1098657939.db2.gz GWBDMKFONNYSIR-SWLSCSKDSA-N 0 0 301.789 3.478 20 10 DGCDRN Cc1cc(CNc2ccc3c(c2)ncn3C)ccc1-n1cncn1 ZINC001178037446 1098700467 /nfs/dbraw/zinc/70/04/67/1098700467.db2.gz KKDCXKPKNSUHTP-UHFFFAOYSA-N 0 0 318.384 3.075 20 10 DGCDRN CN(C)c1ccc(/C=C/CNc2cccc(NC(N)=O)c2)cc1 ZINC001178042213 1098702604 /nfs/dbraw/zinc/70/26/04/1098702604.db2.gz QNRIVFAQNSAJQR-SNAWJCMRSA-N 0 0 310.401 3.369 20 10 DGCDRN Cc1cc(C)c(CNC(=O)C2=NO[C@H](c3ccccc3)C2)c(O)c1 ZINC001178808115 1098937814 /nfs/dbraw/zinc/93/78/14/1098937814.db2.gz WWDRNKHQKRWKDA-SFHVURJKSA-N 0 0 324.380 3.143 20 10 DGCDRN Cc1cc(C)c(CNC(=O)C2=NO[C@@H](c3ccccc3)C2)c(O)c1 ZINC001178808114 1098937884 /nfs/dbraw/zinc/93/78/84/1098937884.db2.gz WWDRNKHQKRWKDA-GOSISDBHSA-N 0 0 324.380 3.143 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1CSc2ccccc2O1 ZINC001179028054 1099004325 /nfs/dbraw/zinc/00/43/25/1099004325.db2.gz JHRVZAJXIAQPRI-LBPRGKRZSA-N 0 0 323.364 3.313 20 10 DGCDRN Cc1cc(C(=O)NCc2c(O)ccc3ccccc32)cc(C)n1 ZINC001179032873 1099006675 /nfs/dbraw/zinc/00/66/75/1099006675.db2.gz PQCKVBFYZVRBBC-UHFFFAOYSA-N 0 0 306.365 3.487 20 10 DGCDRN COc1cc(NCc2cc(Cl)cc(F)c2O)cnc1OC ZINC001179173484 1099035509 /nfs/dbraw/zinc/03/55/09/1099035509.db2.gz QQBICCMFCZOBIO-UHFFFAOYSA-N 0 0 312.728 3.209 20 10 DGCDRN CC(C)(C)c1ccc(CN2CCN(C(C)(C)C)C(=O)C2)c(O)c1 ZINC001235678619 1099122846 /nfs/dbraw/zinc/12/28/46/1099122846.db2.gz JOAWNQMKOSDGNL-UHFFFAOYSA-N 0 0 318.461 3.132 20 10 DGCDRN C[C@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1)C2(C)C ZINC001179691620 1099165684 /nfs/dbraw/zinc/16/56/84/1099165684.db2.gz XZSHUFVZBUUWOV-LUNIKCPQSA-N 0 0 315.413 3.298 20 10 DGCDRN C[C@H](CCCC(C)(C)O)NC(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180129940 1099309422 /nfs/dbraw/zinc/30/94/22/1099309422.db2.gz NGTFYEXSZPJONH-NRMKIYEFSA-N 0 0 318.461 3.212 20 10 DGCDRN Cc1cc(C)c(CNC(=O)/C=C/c2ccc(N(C)C)cc2)c(O)c1 ZINC001180130344 1099309499 /nfs/dbraw/zinc/30/94/99/1099309499.db2.gz JNMJAKDZZARNGN-JXMROGBWSA-N 0 0 324.424 3.405 20 10 DGCDRN Cc1ccc([C@H](C)NC(=O)/C=C/c2ccc(N(C)C)cc2)nc1 ZINC001180130008 1099309529 /nfs/dbraw/zinc/30/95/29/1099309529.db2.gz QTBASQDPAKVWFR-JQVXPOPVSA-N 0 0 309.413 3.347 20 10 DGCDRN CN(C)c1ccc(C=CC(=O)Nc2c[nH]c3cccnc23)cc1 ZINC001180123064 1099320932 /nfs/dbraw/zinc/32/09/32/1099320932.db2.gz MGHMNLNACZNRKX-JXMROGBWSA-N 0 0 306.369 3.281 20 10 DGCDRN CC(=O)c1ncccc1NC(=O)C=Cc1ccc(N(C)C)cc1 ZINC001180122609 1099322275 /nfs/dbraw/zinc/32/22/75/1099322275.db2.gz ASFQHMRKVDOPDN-DHZHZOJOSA-N 0 0 309.369 3.002 20 10 DGCDRN O=C([C@H](F)c1ccccc1)N1CCCc2cc(O)c(O)cc2C1 ZINC001180146608 1099329800 /nfs/dbraw/zinc/32/98/00/1099329800.db2.gz ALKQIEMUHMWHHI-QGZVFWFLSA-N 0 0 315.344 3.083 20 10 DGCDRN COc1ccc2c(c1)CCN2Cc1cc(OC)c(OC)cc1F ZINC001180296845 1099376157 /nfs/dbraw/zinc/37/61/57/1099376157.db2.gz MYSNUWGYTMFVND-UHFFFAOYSA-N 0 0 317.360 3.414 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@]1(C)CCCO1 ZINC001180476897 1099417807 /nfs/dbraw/zinc/41/78/07/1099417807.db2.gz BBSNLSYFFJAZCU-APWZRJJASA-N 0 0 317.429 3.318 20 10 DGCDRN O=C(N1CCc2cccc(O)c2C1)C1(C(F)(F)F)CCCC1 ZINC001180475715 1099418325 /nfs/dbraw/zinc/41/83/25/1099418325.db2.gz NBJZYJLNNZNYGL-UHFFFAOYSA-N 0 0 313.319 3.400 20 10 DGCDRN C[C@]1(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)CCCO1 ZINC001180471641 1099432191 /nfs/dbraw/zinc/43/21/91/1099432191.db2.gz GTDPJPYWQNWFSH-LJQANCHMSA-N 0 0 310.397 3.371 20 10 DGCDRN CCOC(=O)[C@@H](NCc1ccc(N(C)C)cc1C)C(C)(C)C ZINC001180645977 1099481745 /nfs/dbraw/zinc/48/17/45/1099481745.db2.gz GZJUNTSSGYHVBN-MRXNPFEDSA-N 0 0 306.450 3.128 20 10 DGCDRN COC(=O)c1cc2ccc(-c3cncc(OC)c3C)cc2n1C ZINC001236382601 1099567101 /nfs/dbraw/zinc/56/71/01/1099567101.db2.gz LGZCHNMIQMKVSM-UHFFFAOYSA-N 0 0 310.353 3.344 20 10 DGCDRN COc1cncc(-c2ccn(Cc3cccc(F)c3)c(=O)c2)c1C ZINC001236387561 1099568735 /nfs/dbraw/zinc/56/87/35/1099568735.db2.gz SNYLKLPIZSHWJO-UHFFFAOYSA-N 0 0 324.355 3.415 20 10 DGCDRN Oc1cccc(F)c1CNc1cnc2cc(F)c(F)cc2n1 ZINC001187678197 1099572150 /nfs/dbraw/zinc/57/21/50/1099572150.db2.gz ZNDGOZZFPIRMSH-UHFFFAOYSA-N 0 0 305.259 3.365 20 10 DGCDRN Cc1cc(-c2nccn2C)c(-c2cncc(OC(C)C)c2)nn1 ZINC001236517060 1099656127 /nfs/dbraw/zinc/65/61/27/1099656127.db2.gz YUAXBVPHTIUTRS-UHFFFAOYSA-N 0 0 309.373 3.035 20 10 DGCDRN CCc1ccc(C[N@@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001236783118 1099780382 /nfs/dbraw/zinc/78/03/82/1099780382.db2.gz IFXNKKZNGWUUFI-HNNXBMFYSA-N 0 0 321.417 3.481 20 10 DGCDRN CCc1ccc(CN2[C@H](CO)CCC[C@H]2C(F)(F)F)c(O)c1 ZINC001236784729 1099783740 /nfs/dbraw/zinc/78/37/40/1099783740.db2.gz ZNQZFQMHMKVWIX-ZFWWWQNUSA-N 0 0 317.351 3.232 20 10 DGCDRN CCc1ccc(C[N@@H+]2CCCN(c3cccnc3)CC2)c(O)c1 ZINC001236788825 1099785692 /nfs/dbraw/zinc/78/56/92/1099785692.db2.gz QZFADSLXATYKEI-UHFFFAOYSA-N 0 0 311.429 3.062 20 10 DGCDRN CCc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C)cn3)C2)c(O)c1 ZINC001236788878 1099786030 /nfs/dbraw/zinc/78/60/30/1099786030.db2.gz SBIBIJUCQJDQIJ-KRWDZBQOSA-N 0 0 312.413 3.311 20 10 DGCDRN CCc1ccc(CN2CC(Oc3ccc(F)cc3)C2)c(O)c1 ZINC001236792504 1099786701 /nfs/dbraw/zinc/78/67/01/1099786701.db2.gz QVXQQLUVEPBLEW-UHFFFAOYSA-N 0 0 301.361 3.357 20 10 DGCDRN [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001236790623 1099788120 /nfs/dbraw/zinc/78/81/20/1099788120.db2.gz RMYMVFBKANAHJB-OTYXRUKQSA-N 0 0 302.201 3.310 20 10 DGCDRN Oc1cc(Cl)c(Cl)cc1CN1CCCC2(C1)OCCO2 ZINC001236800647 1099794935 /nfs/dbraw/zinc/79/49/35/1099794935.db2.gz XCMRABUBIQAQAA-UHFFFAOYSA-N 0 0 318.200 3.038 20 10 DGCDRN COc1ccc(C[N@H+](C)Cc2cccnc2C)c([O-])c1Cl ZINC001236807167 1099799269 /nfs/dbraw/zinc/79/92/69/1099799269.db2.gz GUQYFCOBSUNWSK-UHFFFAOYSA-N 0 0 306.793 3.390 20 10 DGCDRN COc1cc(O)c(CN2CCC[C@H]2c2ncccn2)c(Cl)c1 ZINC001236806294 1099801045 /nfs/dbraw/zinc/80/10/45/1099801045.db2.gz UGFVEMLSERPWBS-AWEZNQCLSA-N 0 0 319.792 3.181 20 10 DGCDRN COc1cc(C)c(C[N@H+](C)Cc2ccc(N(C)C)cc2)c(O)c1 ZINC001236817197 1099803077 /nfs/dbraw/zinc/80/30/77/1099803077.db2.gz DASJIXIXFAVKSI-UHFFFAOYSA-N 0 0 314.429 3.407 20 10 DGCDRN C[C@]1(CO)CC(F)(F)CN1Cc1cc2ccccc2cc1O ZINC001236827133 1099810794 /nfs/dbraw/zinc/81/07/94/1099810794.db2.gz PSQUMXCWLIANFL-MRXNPFEDSA-N 0 0 307.340 3.137 20 10 DGCDRN COc1ccc(NC(=O)N[C@@H](C)c2ccccc2O)cc1OC ZINC001188817628 1099869271 /nfs/dbraw/zinc/86/92/71/1099869271.db2.gz UOPILFXRLPYRQF-NSHDSACASA-N 0 0 316.357 3.292 20 10 DGCDRN FC1(C2CC2)CN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236926251 1099879088 /nfs/dbraw/zinc/87/90/88/1099879088.db2.gz DEPBYVKXGGVLIP-UHFFFAOYSA-N 0 0 324.827 3.111 20 10 DGCDRN Cc1nc(CN(C)Cc2c(O)ccc(Cl)c2Cl)no1 ZINC001237077860 1099951268 /nfs/dbraw/zinc/95/12/68/1099951268.db2.gz LENUNUVFBZMOFE-UHFFFAOYSA-N 0 0 302.161 3.022 20 10 DGCDRN COc1cc(O)c(CN2C[C@@H](F)C[C@H]2C)c(Br)c1 ZINC001237066157 1099953190 /nfs/dbraw/zinc/95/31/90/1099953190.db2.gz SYNQXMDGLCOUHV-BDAKNGLRSA-N 0 0 318.186 3.096 20 10 DGCDRN Cc1nc(CC[N@@H+](C)Cc2c([O-])ccc(Cl)c2Cl)no1 ZINC001237078650 1099957511 /nfs/dbraw/zinc/95/75/11/1099957511.db2.gz VVPZCKZRCDDINI-UHFFFAOYSA-N 0 0 316.188 3.065 20 10 DGCDRN [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001237084554 1099962298 /nfs/dbraw/zinc/96/22/98/1099962298.db2.gz KIFZFGZRHQBQPT-TVQRCGJNSA-N 0 0 302.201 3.310 20 10 DGCDRN CC(=O)[C@@H]1CCCCN1Cc1c(O)cccc1OC(F)(F)F ZINC001237114033 1099976430 /nfs/dbraw/zinc/97/64/30/1099976430.db2.gz GHWZWEJNKAYFHS-LBPRGKRZSA-N 0 0 317.307 3.234 20 10 DGCDRN CN(Cc1c(O)cccc1OC(F)(F)F)CC(F)(F)F ZINC001237119575 1099979715 /nfs/dbraw/zinc/97/97/15/1099979715.db2.gz IYSLEOLXYHCAHQ-UHFFFAOYSA-N 0 0 303.202 3.285 20 10 DGCDRN OCC[C@H]1CC12CC[NH+](Cc1c(O)ccc(F)c1Cl)CC2 ZINC001237124349 1099984949 /nfs/dbraw/zinc/98/49/49/1099984949.db2.gz OODDTUKKTYSPPA-NSHDSACASA-N 0 0 313.800 3.169 20 10 DGCDRN Oc1ccc(F)c(Cl)c1CN1CCO[C@H](c2ccncc2)C1 ZINC001237131059 1099986983 /nfs/dbraw/zinc/98/69/83/1099986983.db2.gz SQUZZXZLEJGMGL-HNNXBMFYSA-N 0 0 322.767 3.153 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237384429 1100103735 /nfs/dbraw/zinc/10/37/35/1100103735.db2.gz WSGOFQFLNHYSMB-HZMBPMFUSA-N 0 0 315.244 3.273 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC[C@@]1(C)O ZINC001237618418 1100190072 /nfs/dbraw/zinc/19/00/72/1100190072.db2.gz ZZMBQUXQPCYQQQ-MEBBXXQBSA-N 0 0 301.789 3.168 20 10 DGCDRN CO[C@H]1CCC[N@H+](Cc2cc(Br)c(C)cc2O)C1 ZINC001237678184 1100211571 /nfs/dbraw/zinc/21/15/71/1100211571.db2.gz VWOKUHIRACMSRR-LBPRGKRZSA-N 0 0 314.223 3.074 20 10 DGCDRN Cc1cc(Cl)cc(CN2CCOC[C@@H]2c2cccnc2)c1O ZINC001237690324 1100214624 /nfs/dbraw/zinc/21/46/24/1100214624.db2.gz WESHSPDLJAPJID-MRXNPFEDSA-N 0 0 318.804 3.323 20 10 DGCDRN COc1ccc(CN2CCc3cccc(O)c3C2)c(Cl)n1 ZINC001237798363 1100249831 /nfs/dbraw/zinc/24/98/31/1100249831.db2.gz JODRLYIRUAZCIF-UHFFFAOYSA-N 0 0 304.777 3.008 20 10 DGCDRN C[C@@]1(CO)CCC[N@H+](Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237808104 1100253546 /nfs/dbraw/zinc/25/35/46/1100253546.db2.gz QPPYDUCNNZIDHE-OAHLLOKOSA-N 0 0 301.789 3.169 20 10 DGCDRN [O-]c1cc(Cl)c(F)cc1C[NH+]1CCC2(C[C@@H]2CCO)CC1 ZINC001237933616 1100296829 /nfs/dbraw/zinc/29/68/29/1100296829.db2.gz DYYANXBURMUVSA-LBPRGKRZSA-N 0 0 313.800 3.169 20 10 DGCDRN Oc1cc(Cl)c(F)cc1CN1CCO[C@@H](c2ccccn2)C1 ZINC001237950123 1100300560 /nfs/dbraw/zinc/30/05/60/1100300560.db2.gz QGEPZILXYHDCSI-MRXNPFEDSA-N 0 0 322.767 3.153 20 10 DGCDRN [O-]c1cc(Cl)c(F)cc1C[NH+]1CCC2(C[C@H](F)CO2)CC1 ZINC001237950699 1100301130 /nfs/dbraw/zinc/30/11/30/1100301130.db2.gz ZDKLDILEXZWLQB-NSHDSACASA-N 0 0 317.763 3.278 20 10 DGCDRN CCCCNC(=O)N1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001190605598 1100307626 /nfs/dbraw/zinc/30/76/26/1100307626.db2.gz JHBWNEXJDNDJLH-UHFFFAOYSA-N 0 0 315.417 3.055 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1cnc(F)cc1Cl)CCC2 ZINC001238021946 1100330837 /nfs/dbraw/zinc/33/08/37/1100330837.db2.gz AAAYQGHLNGQTQV-UHFFFAOYSA-N 0 0 322.767 3.234 20 10 DGCDRN COC(=O)c1cccc2c1CN(Cc1cc(F)cc(C)c1O)C2 ZINC001238063398 1100348373 /nfs/dbraw/zinc/34/83/73/1100348373.db2.gz VYPRQLDDSMSINC-UHFFFAOYSA-N 0 0 315.344 3.142 20 10 DGCDRN Cc1cc(F)cc(CN(Cc2cocn2)Cc2cocn2)c1O ZINC001238071669 1100350856 /nfs/dbraw/zinc/35/08/56/1100350856.db2.gz ZAJYUCWTCUWYFN-UHFFFAOYSA-N 0 0 317.320 3.018 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)Cc1c(N)ccnc1F ZINC001238157979 1100376552 /nfs/dbraw/zinc/37/65/52/1100376552.db2.gz ZSMLOXYCOUISOS-UHFFFAOYSA-N 0 0 314.408 3.035 20 10 DGCDRN CCC(CC)CN(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC001191682661 1100495932 /nfs/dbraw/zinc/49/59/32/1100495932.db2.gz QUHCGPNYOCMHHO-UHFFFAOYSA-N 0 0 313.825 3.457 20 10 DGCDRN COc1ccc(N(CCc2ccccc2)C[C@@H]2CCC(=O)N2)cc1 ZINC001191890783 1100540861 /nfs/dbraw/zinc/54/08/61/1100540861.db2.gz CISYRTRNUPNJDJ-KRWDZBQOSA-N 0 0 324.424 3.023 20 10 DGCDRN O=c1cc(-c2cnn(C(F)F)c2)ccn1Cc1ccccc1 ZINC001238869510 1100549041 /nfs/dbraw/zinc/54/90/41/1100549041.db2.gz QLRRFSAPZOKPOB-UHFFFAOYSA-N 0 0 301.296 3.155 20 10 DGCDRN CCOc1cc(C)c(-c2ccn(Cc3ccccn3)c(=O)c2)cn1 ZINC001238978526 1100567037 /nfs/dbraw/zinc/56/70/37/1100567037.db2.gz WXFCBUVAEXGEDJ-UHFFFAOYSA-N 0 0 321.380 3.061 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)CC(C)C)cc1 ZINC001278287961 1100583169 /nfs/dbraw/zinc/58/31/69/1100583169.db2.gz AKKBBCABGOBECU-HNNXBMFYSA-N 0 0 306.450 3.272 20 10 DGCDRN COc1cc(C(=O)N[C@@H]2C[C@@H](C)CC(C)(C)C2)cc(O)c1O ZINC001193113757 1100707889 /nfs/dbraw/zinc/70/78/89/1100707889.db2.gz BCHUYWQTGQBENM-ZYHUDNBSSA-N 0 0 307.390 3.051 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2cnn(CC(C)(C)O)c2)cn1 ZINC001240190033 1100889362 /nfs/dbraw/zinc/88/93/62/1100889362.db2.gz AJGSOCSPAHZOHZ-UHFFFAOYSA-N 0 0 310.401 3.124 20 10 DGCDRN Cn1cc(-c2nccc3c2ccn3Cc2ccccc2)ccc1=O ZINC001240329128 1100943906 /nfs/dbraw/zinc/94/39/06/1100943906.db2.gz TZVMZTWIXGDZPW-UHFFFAOYSA-N 0 0 315.376 3.450 20 10 DGCDRN Cc1cc(C)c(CNS(=O)(=O)c2c(C)cccc2C)c(O)c1 ZINC001194660022 1100987789 /nfs/dbraw/zinc/98/77/89/1100987789.db2.gz IKZRSFOXEDKYAB-UHFFFAOYSA-N 0 0 319.426 3.104 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2cc(Cl)c(C)[nH]c2=O)c(O)c1 ZINC001194710085 1100996722 /nfs/dbraw/zinc/99/67/22/1100996722.db2.gz HNYQIAZVEWLZOJ-UHFFFAOYSA-N 0 0 320.776 3.001 20 10 DGCDRN COc1ccc(Cn2cc(-c3cnc4ccn(C)c4c3)cn2)cc1 ZINC001240464339 1101008825 /nfs/dbraw/zinc/00/88/25/1101008825.db2.gz ONFRVGIECSFLSV-UHFFFAOYSA-N 0 0 318.380 3.494 20 10 DGCDRN O=c1cc(-c2cnn(CC3CC3)c2)ccn1Cc1cccc(F)c1 ZINC001240515554 1101032001 /nfs/dbraw/zinc/03/20/01/1101032001.db2.gz VVYBEWHCSIZHAT-UHFFFAOYSA-N 0 0 323.371 3.309 20 10 DGCDRN CCOc1ncc(-c2ccc3ccn(C)c3c2)cc1C(=O)OC ZINC001240574674 1101056151 /nfs/dbraw/zinc/05/61/51/1101056151.db2.gz XHHLEPCHXKUANU-UHFFFAOYSA-N 0 0 310.353 3.426 20 10 DGCDRN COC(=O)c1cc2ccc(-c3cncc(C(C)(C)O)c3)cc2n1C ZINC001240667614 1101088560 /nfs/dbraw/zinc/08/85/60/1101088560.db2.gz BIJWOUODZFAUGV-UHFFFAOYSA-N 0 0 324.380 3.254 20 10 DGCDRN COc1cc2c(c(OC)c1)N(C[C@@H]1CC[C@@H](C3CC3)O1)CCC2 ZINC001195176581 1101092365 /nfs/dbraw/zinc/09/23/65/1101092365.db2.gz BBYUZARWQZVKQA-RDJZCZTQSA-N 0 0 317.429 3.414 20 10 DGCDRN CCNC(=S)Nc1c(C)ccc2c1C(=O)c1ccccc1C2=O ZINC001195341457 1101122739 /nfs/dbraw/zinc/12/27/39/1101122739.db2.gz HPRAAATZCLIBAA-UHFFFAOYSA-N 0 0 324.405 3.077 20 10 DGCDRN CCN(c1ccccc1)c1cc(-c2cnn(C3COC3)c2)ncn1 ZINC001240778163 1101133794 /nfs/dbraw/zinc/13/37/94/1101133794.db2.gz BSZNLRLMPPRJME-UHFFFAOYSA-N 0 0 321.384 3.069 20 10 DGCDRN Cc1c[nH]nc1C(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001195910921 1101219696 /nfs/dbraw/zinc/21/96/96/1101219696.db2.gz HSYWVEHTCBKTFX-INIZCTEOSA-N 0 0 313.401 3.094 20 10 DGCDRN COc1cccc(NC(=S)N2CCc3cccc(O)c3C2)c1 ZINC001196040068 1101242958 /nfs/dbraw/zinc/24/29/58/1101242958.db2.gz XXIANTBZNQYGRW-UHFFFAOYSA-N 0 0 314.410 3.156 20 10 DGCDRN Cc1cc(F)ccc1NC(=S)NCc1cccc(O)c1O ZINC001196145364 1101256034 /nfs/dbraw/zinc/25/60/34/1101256034.db2.gz YUGKSSSQERJNMM-UHFFFAOYSA-N 0 0 306.362 3.032 20 10 DGCDRN COc1ccccc1NC(=S)N[C@@H](C)c1ccccc1O ZINC001196269784 1101275280 /nfs/dbraw/zinc/27/52/80/1101275280.db2.gz RRWFYGVXOJBOOF-NSHDSACASA-N 0 0 302.399 3.448 20 10 DGCDRN COc1ccccc1NC(=S)N1CCc2cccc(O)c2C1 ZINC001196244399 1101277328 /nfs/dbraw/zinc/27/73/28/1101277328.db2.gz UMSUARDKVTZDHI-UHFFFAOYSA-N 0 0 314.410 3.156 20 10 DGCDRN Cc1nc(Cl)cc(Cl)c1C(=O)NCc1ccccc1O ZINC001196694479 1101364276 /nfs/dbraw/zinc/36/42/76/1101364276.db2.gz NNDAXBODGRUAKM-UHFFFAOYSA-N 0 0 311.168 3.332 20 10 DGCDRN FC(F)Oc1cncc(C2=CCN(c3ccccc3)CC2)n1 ZINC001241345314 1101393400 /nfs/dbraw/zinc/39/34/00/1101393400.db2.gz FWCKIPWKJUNLPO-UHFFFAOYSA-N 0 0 303.312 3.372 20 10 DGCDRN O=C1Nc2ncc(C3=CCN(c4ccccc4)CC3)cc2C12CC2 ZINC001241359704 1101401949 /nfs/dbraw/zinc/40/19/49/1101401949.db2.gz ANMURENDINCUED-UHFFFAOYSA-N 0 0 317.392 3.359 20 10 DGCDRN COC(=O)c1cc2ccc(-c3ccc(N(C)C)nc3)cc2n1C ZINC001241370116 1101410864 /nfs/dbraw/zinc/41/08/64/1101410864.db2.gz JVSRJDQHMIZBAP-UHFFFAOYSA-N 0 0 309.369 3.093 20 10 DGCDRN CCCOc1cccnc1C(=O)NCc1c(C)cc(C)cc1O ZINC001196940842 1101437366 /nfs/dbraw/zinc/43/73/66/1101437366.db2.gz IQMLOQLTGRBDQK-UHFFFAOYSA-N 0 0 314.385 3.123 20 10 DGCDRN Cc1noc(C(C)C)c1C(=O)NCc1c(C)cc(C)cc1O ZINC001197362466 1101542070 /nfs/dbraw/zinc/54/20/70/1101542070.db2.gz LTPORJZFXWEMOQ-UHFFFAOYSA-N 0 0 302.374 3.359 20 10 DGCDRN O=C(c1cccc(C2CCC2)n1)N1CCc2cccc(O)c2C1 ZINC001197870736 1101699155 /nfs/dbraw/zinc/69/91/55/1101699155.db2.gz OQABCTNCCYJBGV-UHFFFAOYSA-N 0 0 308.381 3.253 20 10 DGCDRN COC(=O)c1cc(-c2cccc3c2ccn3C)cnc1N(C)C ZINC001241823241 1101728167 /nfs/dbraw/zinc/72/81/67/1101728167.db2.gz ZQDGLLIGXZPLRO-UHFFFAOYSA-N 0 0 309.369 3.093 20 10 DGCDRN Cn1ccc2c1cccc2-c1cn(Cc2ccccc2)c(=O)cn1 ZINC001241824510 1101729865 /nfs/dbraw/zinc/72/98/65/1101729865.db2.gz PFVSDHRMPPWIGJ-UHFFFAOYSA-N 0 0 315.376 3.450 20 10 DGCDRN Cn1ccc2c1cccc2-c1cccn(-c2ccncc2)c1=O ZINC001241824670 1101730467 /nfs/dbraw/zinc/73/04/67/1101730467.db2.gz VKNCPIHGLNUPSB-UHFFFAOYSA-N 0 0 301.349 3.391 20 10 DGCDRN CNc1ccc(-c2ccn(Cc3ccccc3F)c(=O)c2)cn1 ZINC001242071566 1101892133 /nfs/dbraw/zinc/89/21/33/1101892133.db2.gz VKKXIRVXQQLVMH-UHFFFAOYSA-N 0 0 309.344 3.139 20 10 DGCDRN CN(C)c1ccc(NC(=S)NCc2ccc(Cl)cn2)cc1 ZINC001198776213 1101983822 /nfs/dbraw/zinc/98/38/22/1101983822.db2.gz KOYVMISEWNCNGB-UHFFFAOYSA-N 0 0 320.849 3.288 20 10 DGCDRN COc1ccc(S(=O)(=O)Nc2cc(C)c(O)cc2C)c(C)c1 ZINC001198939903 1102030896 /nfs/dbraw/zinc/03/08/96/1102030896.db2.gz MWMJSVDFFFVOIR-UHFFFAOYSA-N 0 0 321.398 3.127 20 10 DGCDRN C[C@@H](COc1ccccc1F)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001199689176 1102185155 /nfs/dbraw/zinc/18/51/55/1102185155.db2.gz OXXOUFXUGMFXMB-JTQLQIEISA-N 0 0 311.303 3.367 20 10 DGCDRN C[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])N1CCC(C)CC1 ZINC001199850692 1102223862 /nfs/dbraw/zinc/22/38/62/1102223862.db2.gz HVNBKUSQUWORNK-GFCCVEGCSA-N 0 0 314.832 3.395 20 10 DGCDRN O=c1cc(-c2cncc(N3CCCC3)c2)ccn1CC(F)(F)F ZINC001242622668 1102247484 /nfs/dbraw/zinc/24/74/84/1102247484.db2.gz ZDTBQVLGMGMWMV-UHFFFAOYSA-N 0 0 323.318 3.073 20 10 DGCDRN COCCn1ccc(-c2cncc(-c3ccccc3)c2)cc1=O ZINC001242913667 1102412855 /nfs/dbraw/zinc/41/28/55/1102412855.db2.gz NKCOWAUHFUDLEZ-UHFFFAOYSA-N 0 0 306.365 3.224 20 10 DGCDRN Oc1ccccc1CNC(=S)Nc1ccc(-n2cccn2)cc1 ZINC001200887911 1102432338 /nfs/dbraw/zinc/43/23/38/1102432338.db2.gz BUNRUSBKSCVOGJ-UHFFFAOYSA-N 0 0 324.409 3.065 20 10 DGCDRN CCOc1cccc(CNC(=S)Nc2ccc(F)cc2F)n1 ZINC001200936777 1102443741 /nfs/dbraw/zinc/44/37/41/1102443741.db2.gz UXWGNSUDQHWGCC-UHFFFAOYSA-N 0 0 323.368 3.245 20 10 DGCDRN O=c1cc(-c2cnn3ccccc23)ccn1Cc1cccc(F)c1 ZINC001242965094 1102446248 /nfs/dbraw/zinc/44/62/48/1102446248.db2.gz DGLDSFCXPDMRAX-UHFFFAOYSA-N 0 0 319.339 3.350 20 10 DGCDRN CSc1ccc(NC(=S)NCc2ncccc2F)cc1 ZINC001201190161 1102513241 /nfs/dbraw/zinc/51/32/41/1102513241.db2.gz JWFDGONOHAVITI-UHFFFAOYSA-N 0 0 307.419 3.429 20 10 DGCDRN Nc1ccc(OC(=O)c2ccc(Nc3ccc(N)nc3)cc2)cc1 ZINC001201291822 1102540163 /nfs/dbraw/zinc/54/01/63/1102540163.db2.gz DHWFFIHUVYGIDX-UHFFFAOYSA-N 0 0 320.352 3.209 20 10 DGCDRN CSc1ncc(-c2ccn(Cc3ccccn3)c(=O)c2)cc1C ZINC001243159498 1102561844 /nfs/dbraw/zinc/56/18/44/1102561844.db2.gz ZYTSCLJRBGJUDN-UHFFFAOYSA-N 0 0 323.421 3.384 20 10 DGCDRN Nc1ncccc1-c1ncnc2c1ccn2Cc1cccc(F)c1 ZINC001243469785 1102741292 /nfs/dbraw/zinc/74/12/92/1102741292.db2.gz FCVHJUDXKUBTEM-UHFFFAOYSA-N 0 0 319.343 3.263 20 10 DGCDRN Cc1c(C)n(Cc2ccco2)c2ncnc(-c3cccnc3N)c12 ZINC001243471776 1102741476 /nfs/dbraw/zinc/74/14/76/1102741476.db2.gz HCMQDFSAEDXGBA-UHFFFAOYSA-N 0 0 319.368 3.334 20 10 DGCDRN Nc1ccc(Cl)cc1-c1ccn(Cc2ccccn2)c(=O)c1 ZINC001243486761 1102751110 /nfs/dbraw/zinc/75/11/10/1102751110.db2.gz LJXHWTPCFVOXOO-UHFFFAOYSA-N 0 0 311.772 3.194 20 10 DGCDRN Nc1ccc(Cl)cc1-c1ccn(CC(F)(F)F)c(=O)c1 ZINC001243486421 1102751416 /nfs/dbraw/zinc/75/14/16/1102751416.db2.gz SCWBCXLXSNAUJY-UHFFFAOYSA-N 0 0 302.683 3.313 20 10 DGCDRN Cc1cc(-c2nccn2C)c(-c2ccc(OC(C)C)nc2C)nn1 ZINC001243653312 1102886159 /nfs/dbraw/zinc/88/61/59/1102886159.db2.gz WOIJUSMYCVFAKF-UHFFFAOYSA-N 0 0 323.400 3.343 20 10 DGCDRN COc1cccc(NC(=O)NCc2c(C)cc(C)cc2O)c1 ZINC001202284365 1102926206 /nfs/dbraw/zinc/92/62/06/1102926206.db2.gz LFTCVKGHJVGJPA-UHFFFAOYSA-N 0 0 300.358 3.339 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1cnn(Cc2cccnc2)c1 ZINC001325580460 1103073204 /nfs/dbraw/zinc/07/32/04/1103073204.db2.gz CAVDTIQHVZBOTE-UHFFFAOYSA-N 0 0 321.428 3.313 20 10 DGCDRN C[C@@H]1CCC[C@H](C[NH2+]Cc2cccc(Br)c2[O-])O1 ZINC000688867037 1103261198 /nfs/dbraw/zinc/26/11/98/1103261198.db2.gz RKCDUKIEPWDCGI-ZYHUDNBSSA-N 0 0 314.223 3.202 20 10 DGCDRN O=c1cc(-c2cnccc2C2CC2)ccn1Cc1ccccn1 ZINC001244284889 1103332819 /nfs/dbraw/zinc/33/28/19/1103332819.db2.gz XSUHIVWVEUXNJL-UHFFFAOYSA-N 0 0 303.365 3.231 20 10 DGCDRN CCn1nc(C(C)C)cc1C(=O)NCc1cc(Cl)ccc1O ZINC001326563967 1103367416 /nfs/dbraw/zinc/36/74/16/1103367416.db2.gz GRZPVASRMHJCJS-UHFFFAOYSA-N 0 0 321.808 3.315 20 10 DGCDRN Nc1ccc(CCc2ccc(Nc3cnc(N)nc3)cc2)cc1 ZINC001212964478 1103418429 /nfs/dbraw/zinc/41/84/29/1103418429.db2.gz YAGAKWFAOHKJDN-UHFFFAOYSA-N 0 0 305.385 3.170 20 10 DGCDRN Cc1ncccc1CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001326805560 1103450112 /nfs/dbraw/zinc/45/01/12/1103450112.db2.gz INMNMQWDECSIOW-UHFFFAOYSA-N 0 0 323.440 3.239 20 10 DGCDRN COc1ccc(C(=O)c2ccccc2Nc2cnc(N)nc2)cc1 ZINC001212966367 1103465607 /nfs/dbraw/zinc/46/56/07/1103465607.db2.gz TXLBKAKMPHWYRG-UHFFFAOYSA-N 0 0 320.352 3.042 20 10 DGCDRN CC(=O)C(=O)COC(=O)[C@@H](CC(C)C)c1ccc(Cl)cc1 ZINC001327148423 1103554086 /nfs/dbraw/zinc/55/40/86/1103554086.db2.gz LWWITLXUVGYVFE-AWEZNQCLSA-N 0 0 310.777 3.171 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001328161473 1103863704 /nfs/dbraw/zinc/86/37/04/1103863704.db2.gz RVRURILYKLPBOJ-FVQBIDKESA-N 0 0 301.434 3.049 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C2=CCS(=O)(=O)CC2)cc1 ZINC001245209024 1103913234 /nfs/dbraw/zinc/91/32/34/1103913234.db2.gz RPBRZPFLCSSLIN-UHFFFAOYSA-N 0 0 301.411 3.296 20 10 DGCDRN C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001137066879 1103950246 /nfs/dbraw/zinc/95/02/46/1103950246.db2.gz GQJRRUQRIFCIFI-YJBOKZPZSA-N 0 0 322.368 3.309 20 10 DGCDRN CCC/C=C\C(=O)N1CCN(c2ccc(OCC)cc2)CC1 ZINC001328624667 1104003087 /nfs/dbraw/zinc/00/30/87/1104003087.db2.gz UQKHTRHVHJFOMZ-SREVYHEPSA-N 0 0 302.418 3.090 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCC[C@@H](F)C1 ZINC001328656037 1104013703 /nfs/dbraw/zinc/01/37/03/1104013703.db2.gz CVHBMCIKBIFAEU-NEPJUHHUSA-N 0 0 300.761 3.126 20 10 DGCDRN C[C@H](NC(=O)c1cccc2c1COCC2)c1ccc(N(C)C)cc1 ZINC001328667102 1104016057 /nfs/dbraw/zinc/01/60/57/1104016057.db2.gz RGGUJHZEPLBOCU-AWEZNQCLSA-N 0 0 324.424 3.316 20 10 DGCDRN O=c1cc(-c2c[nH]c3ncc(F)cc23)ccn1CC(F)(F)F ZINC001245433802 1104055649 /nfs/dbraw/zinc/05/56/49/1104055649.db2.gz XXOTWIBKITZWLI-UHFFFAOYSA-N 0 0 311.238 3.093 20 10 DGCDRN CCOC(=O)C(C)(C)n1cc(-c2ccc3ccn(C)c3c2)cn1 ZINC001245438809 1104058486 /nfs/dbraw/zinc/05/84/86/1104058486.db2.gz ZCTFLYHTVWLJPQ-UHFFFAOYSA-N 0 0 311.385 3.340 20 10 DGCDRN COc1ccc(NC(=O)NCc2cccc(C)c2O)c(C)c1 ZINC001202730890 1104152694 /nfs/dbraw/zinc/15/26/94/1104152694.db2.gz DJGZAWXCVKGDSI-UHFFFAOYSA-N 0 0 300.358 3.339 20 10 DGCDRN CCn1ccnc1CNCc1ccc(N2CCC(C)CC2)cc1 ZINC001649166778 1104152991 /nfs/dbraw/zinc/15/29/91/1104152991.db2.gz YURSEGCAFIZFNV-UHFFFAOYSA-N 0 0 312.461 3.429 20 10 DGCDRN O=C(NCCCSc1nccs1)N[C@H]1CCC[C@H](F)C1 ZINC001329253957 1104201381 /nfs/dbraw/zinc/20/13/81/1104201381.db2.gz QDKIZMKPASCYHK-QWRGUYRKSA-N 0 0 317.455 3.205 20 10 DGCDRN CSc1cnc(F)c(-c2ccn(CC(F)(F)F)c(=O)c2)c1 ZINC001245762243 1104224635 /nfs/dbraw/zinc/22/46/35/1104224635.db2.gz CSNFQZDTUPVYCX-UHFFFAOYSA-N 0 0 318.295 3.334 20 10 DGCDRN C[C@@H](Cc1cccc(O)c1)NC(=O)N[C@@H](C)c1ccccc1O ZINC001330107288 1104480969 /nfs/dbraw/zinc/48/09/69/1104480969.db2.gz ZDTIJNXCRTUUAP-STQMWFEESA-N 0 0 314.385 3.089 20 10 DGCDRN COc1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC=C(C)C)cc1 ZINC001274789487 1104493786 /nfs/dbraw/zinc/49/37/86/1104493786.db2.gz DDWFLQIVQJGSGV-QZTJIDSGSA-N 0 0 314.429 3.231 20 10 DGCDRN CC[C@H](C)N1CC[C@]2(CCCN2c2ccc(OC)cc2C)C1=O ZINC001274875447 1104528107 /nfs/dbraw/zinc/52/81/07/1104528107.db2.gz WEICTWQUGMITSU-HNAYVOBHSA-N 0 0 316.445 3.373 20 10 DGCDRN CC[C@H](C)N1CC[C@]2(CCN(c3ccc(OC)cc3C)C2)C1=O ZINC001274875374 1104528201 /nfs/dbraw/zinc/52/82/01/1104528201.db2.gz SZVQFUPJLMSHJW-KXBFYZLASA-N 0 0 316.445 3.231 20 10 DGCDRN C[C@H](NC(=O)c1cn(C)cc1C(F)(F)F)c1ccccc1O ZINC001330279902 1104528626 /nfs/dbraw/zinc/52/86/26/1104528626.db2.gz AEWYYDKFGFEJRY-VIFPVBQESA-N 0 0 312.291 3.241 20 10 DGCDRN C[C@H](NC(=O)NCc1cc(Cl)ccc1O)c1cccc(O)c1 ZINC001246582840 1104606702 /nfs/dbraw/zinc/60/67/02/1104606702.db2.gz JNAROLPRJABLKM-JTQLQIEISA-N 0 0 320.776 3.312 20 10 DGCDRN [O-]c1cc(F)cc(F)c1CN1CC[C@H]2C[N@@H+](C3CCCC3)C[C@H]21 ZINC001275307024 1104716520 /nfs/dbraw/zinc/71/65/20/1104716520.db2.gz WCKQGTVRQYYDHA-YVEFUNNKSA-N 0 0 322.399 3.119 20 10 DGCDRN [O-]c1c(F)ccc(F)c1CN1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001275362506 1104737832 /nfs/dbraw/zinc/73/78/32/1104737832.db2.gz MSPFFYMHDRYWTJ-UHFFFAOYSA-N 0 0 322.399 3.121 20 10 DGCDRN Oc1ccc(Cc2nc(-c3cccc4cccnc43)no2)cc1O ZINC001247959464 1105021731 /nfs/dbraw/zinc/02/17/31/1105021731.db2.gz QOVSTWIKMMQGJW-UHFFFAOYSA-N 0 0 319.320 3.287 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=S)NCC(C)(C)C ZINC001247965933 1105024162 /nfs/dbraw/zinc/02/41/62/1105024162.db2.gz WEIQHZWQLZIWKL-UHFFFAOYSA-N 0 0 307.507 3.495 20 10 DGCDRN CN(C)c1ccc(-c2noc(/C=C/c3ccc(O)c(O)c3)n2)cc1 ZINC001247983082 1105027821 /nfs/dbraw/zinc/02/78/21/1105027821.db2.gz WZKYJVUNQUHXGC-ONNFQVAWSA-N 0 0 323.352 3.384 20 10 DGCDRN Cn1ccc2ccc(-c3noc(Cc4ccc(N)cc4)n3)cc21 ZINC001248183047 1105062696 /nfs/dbraw/zinc/06/26/96/1105062696.db2.gz BVOVCZOLULAVMC-UHFFFAOYSA-N 0 0 304.353 3.401 20 10 DGCDRN Cc1cc(F)ccc1[C@@H](C)NC(=O)NCc1ccccc1O ZINC001248527233 1105122976 /nfs/dbraw/zinc/12/29/76/1105122976.db2.gz DLWRLEZNLWYGMT-GFCCVEGCSA-N 0 0 302.349 3.400 20 10 DGCDRN CCc1cc(N(C)c2ccc(N)cc2)cc(OC)c1C(=O)OC ZINC001248632319 1105140150 /nfs/dbraw/zinc/14/01/50/1105140150.db2.gz BYURPOLTYVSXCM-UHFFFAOYSA-N 0 0 314.385 3.394 20 10 DGCDRN CC(=O)c1ccc(-c2noc(CCc3ccc(O)c(O)c3)n2)cc1 ZINC001248984749 1105210035 /nfs/dbraw/zinc/21/00/35/1105210035.db2.gz ZMECLIUKIRFVSS-UHFFFAOYSA-N 0 0 324.336 3.136 20 10 DGCDRN CC1(C)C=Cc2c(O)c(CN3CCCC(=O)[C@H](F)C3)ccc2O1 ZINC001249224033 1105250092 /nfs/dbraw/zinc/25/00/92/1105250092.db2.gz RGPMQQVMNCMOJN-CQSZACIVSA-N 0 0 319.376 3.079 20 10 DGCDRN CC[C@@]12C[C@@H](CO1)[N@H+](Cc1ccc3c(c1O)C=CC(C)(C)O3)C2 ZINC001249252146 1105256866 /nfs/dbraw/zinc/25/68/66/1105256866.db2.gz GZCJIOBLGADEFX-LIRRHRJNSA-N 0 0 315.413 3.330 20 10 DGCDRN COc1ccc(C)cc1NC(=S)NCc1ccc(C)cn1 ZINC001249674132 1105351724 /nfs/dbraw/zinc/35/17/24/1105351724.db2.gz PCPDXNQKKUMYPC-UHFFFAOYSA-N 0 0 301.415 3.194 20 10 DGCDRN Cc1cc(CN2C[C@@H](F)C[C@H]2CF)c(O)cc1Br ZINC001250120471 1105445696 /nfs/dbraw/zinc/44/56/96/1105445696.db2.gz FKYNUCZHQTUPAF-QWRGUYRKSA-N 0 0 320.177 3.345 20 10 DGCDRN CCCCCC[C@H](O)CCC(=O)N(C)Cc1ccccc1O ZINC001137345613 1105493058 /nfs/dbraw/zinc/49/30/58/1105493058.db2.gz PKOHIJLVPFBCKZ-INIZCTEOSA-N 0 0 307.434 3.462 20 10 DGCDRN COCCCn1c2ccc(F)cc2nc1-c1ccc(O)c(O)c1 ZINC001250464954 1105518116 /nfs/dbraw/zinc/51/81/16/1105518116.db2.gz POHFIBVLERCFGV-UHFFFAOYSA-N 0 0 316.332 3.290 20 10 DGCDRN Cn1c2ccc(F)cc2nc1-c1ccccc1-c1cnc(N)nc1 ZINC001250860939 1105595732 /nfs/dbraw/zinc/59/57/32/1105595732.db2.gz IQVDQGPNPDXDNV-UHFFFAOYSA-N 0 0 319.343 3.419 20 10 DGCDRN O=C1c2ccccc2-c2cccc(NC[C@H](O)C(F)(F)F)c21 ZINC001250982759 1105615202 /nfs/dbraw/zinc/61/52/02/1105615202.db2.gz ADVUIQIFCYNTKS-ZDUSSCGKSA-N 0 0 307.271 3.233 20 10 DGCDRN CCn1c(-c2cc(O)c(O)c(O)c2)nc2ccc(F)c(F)c21 ZINC001251248239 1105644018 /nfs/dbraw/zinc/64/40/18/1105644018.db2.gz HGAURWLGEMWDDT-UHFFFAOYSA-N 0 0 306.268 3.118 20 10 DGCDRN Oc1cc(-c2nc3c(cccc3C(F)(F)F)[nH]2)cc(O)c1O ZINC001251248263 1105644056 /nfs/dbraw/zinc/64/40/56/1105644056.db2.gz IGIGEDSEBGEDIS-UHFFFAOYSA-N 0 0 310.231 3.366 20 10 DGCDRN COc1cc(Cl)cc2[nH]c(-c3cc(O)c(O)cc3O)nc21 ZINC001251355642 1105652446 /nfs/dbraw/zinc/65/24/46/1105652446.db2.gz YICJBYLAQXGHTB-UHFFFAOYSA-N 0 0 306.705 3.009 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC/C=C\C1CC1 ZINC001251511541 1105665830 /nfs/dbraw/zinc/66/58/30/1105665830.db2.gz LQLVRKUPCVKJCY-PLNGDYQASA-N 0 0 313.445 3.394 20 10 DGCDRN O=C(c1ccncc1)c1ccccc1NC[C@H](O)c1ccccc1 ZINC001252001365 1105723502 /nfs/dbraw/zinc/72/35/02/1105723502.db2.gz VBBWRWCYQUORQT-IBGZPJMESA-N 0 0 318.376 3.458 20 10 DGCDRN CN(C)c1ccc([C@@H](O)c2nnc(-c3ccc(F)cc3)o2)cc1 ZINC001252224697 1105756018 /nfs/dbraw/zinc/75/60/18/1105756018.db2.gz LGNOFWFURBFVHO-OAHLLOKOSA-N 0 0 313.332 3.023 20 10 DGCDRN CCC[C@@H](O)CNc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001252771884 1105828277 /nfs/dbraw/zinc/82/82/77/1105828277.db2.gz WIBPRXGRHYUUID-CYBMUJFWSA-N 0 0 309.365 3.035 20 10 DGCDRN Oc1cc2cc(-c3nnc(Cc4ccccc4)o3)[nH]c2cc1O ZINC001253503671 1105947992 /nfs/dbraw/zinc/94/79/92/1105947992.db2.gz KAJLXBPNAKCRAP-UHFFFAOYSA-N 0 0 307.309 3.220 20 10 DGCDRN COC(=O)C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])CC(C)C ZINC001254019123 1106010685 /nfs/dbraw/zinc/01/06/85/1106010685.db2.gz QUKQEWVJKYEISY-UHFFFAOYSA-N 0 0 320.216 3.330 20 10 DGCDRN CCc1nnc(-c2ccc3c(c2)C(=O)c2ccccc2C3=O)o1 ZINC001255067234 1106174239 /nfs/dbraw/zinc/17/42/39/1106174239.db2.gz QBPORAAIGBENSI-UHFFFAOYSA-N 0 0 304.305 3.074 20 10 DGCDRN CCc1ccc(S(=O)(=O)NCc2c(C)cc(C)cc2O)cc1 ZINC001255114765 1106183111 /nfs/dbraw/zinc/18/31/11/1106183111.db2.gz JFPZNLSLRABGJI-UHFFFAOYSA-N 0 0 319.426 3.050 20 10 DGCDRN O=C(/C=C/c1cccnc1)N1CCCCc2cc([N+](=O)[O-])ccc21 ZINC001278875691 1106279925 /nfs/dbraw/zinc/27/99/25/1106279925.db2.gz YZHMEROGWMEXRX-RMKNXTFCSA-N 0 0 323.352 3.373 20 10 DGCDRN CC1(C)OC(=O)C[C@@H]1c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256965891 1106517486 /nfs/dbraw/zinc/51/74/86/1106517486.db2.gz MQJJCUBIILIBQN-CQSZACIVSA-N 0 0 323.352 3.336 20 10 DGCDRN Cc1ncn(C)c1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256978813 1106519598 /nfs/dbraw/zinc/51/95/98/1106519598.db2.gz UJFLMQJBQLRHCV-UHFFFAOYSA-N 0 0 305.341 3.236 20 10 DGCDRN Cc1cncnc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256981551 1106521125 /nfs/dbraw/zinc/52/11/25/1106521125.db2.gz PFWLKVKRNUXYJY-UHFFFAOYSA-N 0 0 303.325 3.293 20 10 DGCDRN CN(C)c1ccc([C@H](O)c2nnc(CC3CCCCC3)o2)cc1 ZINC001257039578 1106528258 /nfs/dbraw/zinc/52/82/58/1106528258.db2.gz GQTGFRALGRXKOT-KRWDZBQOSA-N 0 0 315.417 3.340 20 10 DGCDRN Cc1ccc([C@H]2C[C@H]2c2nnc(-c3ccc(O)c(O)c3O)o2)cc1 ZINC001257209710 1106551442 /nfs/dbraw/zinc/55/14/42/1106551442.db2.gz NZWAIUSAKOQFNT-CHWSQXEVSA-N 0 0 324.336 3.433 20 10 DGCDRN Cc1ccccc1Cc1nnc(CCc2ccc(O)c(O)c2)o1 ZINC001258410413 1106734084 /nfs/dbraw/zinc/73/40/84/1106734084.db2.gz BULTWUNLFDPXOW-UHFFFAOYSA-N 0 0 310.353 3.165 20 10 DGCDRN CC[C@H](NC(=O)c1ccc(C)c(O)c1O)c1ccc(F)cc1 ZINC001320064452 1106836781 /nfs/dbraw/zinc/83/67/81/1106836781.db2.gz UDRWXPQNSANQOP-AWEZNQCLSA-N 0 0 303.333 3.426 20 10 DGCDRN CCN(Cc1ccccc1O)S(=O)(=O)c1ccc(C)c(C)c1 ZINC001259166638 1107087770 /nfs/dbraw/zinc/08/77/70/1107087770.db2.gz JQOXAMPKQQKMIH-UHFFFAOYSA-N 0 0 319.426 3.220 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1ccc(Cl)c2occc21 ZINC001299574545 1107125336 /nfs/dbraw/zinc/12/53/36/1107125336.db2.gz RQAIRVJWFODXJA-UHFFFAOYSA-N 0 0 317.728 3.427 20 10 DGCDRN Cc1cc(NS(=O)(=O)CCc2cccc(F)c2)c(C)cc1O ZINC001259772521 1107194826 /nfs/dbraw/zinc/19/48/26/1107194826.db2.gz IHTIKGQQNNEKRG-UHFFFAOYSA-N 0 0 323.389 3.133 20 10 DGCDRN COc1ccc(CNC(=O)CSCc2cccs2)c(O)c1 ZINC001321101321 1107249610 /nfs/dbraw/zinc/24/96/10/1107249610.db2.gz SUWUWKADYNWBOR-UHFFFAOYSA-N 0 0 323.439 3.012 20 10 DGCDRN C[C@H](Oc1ccccc1)C(=O)Nc1c2nonc2ccc1Cl ZINC001321103345 1107250031 /nfs/dbraw/zinc/25/00/31/1107250031.db2.gz LCTYDBRIKIPMIX-VIFPVBQESA-N 0 0 317.732 3.282 20 10 DGCDRN COc1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2C)cc1C ZINC001260637977 1107289005 /nfs/dbraw/zinc/28/90/05/1107289005.db2.gz CFAXLUGAUWTOKB-UHFFFAOYSA-N 0 0 321.398 3.127 20 10 DGCDRN Cc1cc(S(=O)(=O)Nc2c(C)cc(O)cc2C)ccc1F ZINC001260760379 1107315525 /nfs/dbraw/zinc/31/55/25/1107315525.db2.gz GHDKFEXNVPQLDA-UHFFFAOYSA-N 0 0 309.362 3.257 20 10 DGCDRN CC(C)OC(=O)[C@@H](NCc1ccc(N2CCCC2)cc1)C(C)C ZINC001261256560 1107378753 /nfs/dbraw/zinc/37/87/53/1107378753.db2.gz LRFXLJDMXMZRME-SFHVURJKSA-N 0 0 318.461 3.353 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(C)cn2ccnc12 ZINC001261811231 1107535046 /nfs/dbraw/zinc/53/50/46/1107535046.db2.gz AGGPOPXQWQNNIQ-UHFFFAOYSA-N 0 0 323.396 3.401 20 10 DGCDRN CCOCc1ccc(NC(=O)NCc2ccccc2O)cc1 ZINC001322135040 1107535553 /nfs/dbraw/zinc/53/55/53/1107535553.db2.gz WZJCYURAZCYWPY-UHFFFAOYSA-N 0 0 300.358 3.250 20 10 DGCDRN CNC(=O)c1ccc(NCc2c(O)ccc(Cl)c2F)c(C)c1 ZINC001322234056 1107584809 /nfs/dbraw/zinc/58/48/09/1107584809.db2.gz OVGLKLKEEHUMLE-UHFFFAOYSA-N 0 0 322.767 3.465 20 10 DGCDRN O=C(NC1(C(F)(F)F)CC1)c1cc2cc(O)c(O)cc2s1 ZINC001262174078 1107637664 /nfs/dbraw/zinc/63/76/64/1107637664.db2.gz GLWIAHSIWMBKTO-UHFFFAOYSA-N 0 0 317.288 3.137 20 10 DGCDRN Cc1cc(C(=O)N2CCC[C@H]2C(F)F)c(C)n1-c1ccccn1 ZINC001262660735 1107769329 /nfs/dbraw/zinc/76/93/29/1107769329.db2.gz YMMCOZLUDHAWQG-AWEZNQCLSA-N 0 0 319.355 3.359 20 10 DGCDRN CC(=O)c1ccc(C(=O)Nc2c3nonc3ccc2Cl)cc1 ZINC001323416987 1107969510 /nfs/dbraw/zinc/96/95/10/1107969510.db2.gz GLKSBQUYDDMRGZ-UHFFFAOYSA-N 0 0 315.716 3.331 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N3CC(C)(C)C3(C)C)ccc21 ZINC001323499324 1107991326 /nfs/dbraw/zinc/99/13/26/1107991326.db2.gz ZLJAFJMKKRYYDM-UHFFFAOYSA-N 0 0 315.461 3.399 20 10 DGCDRN CC[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)C[C@H](C)[S@]1=O ZINC001323981256 1108136347 /nfs/dbraw/zinc/13/63/47/1108136347.db2.gz LDIYOIIELUWXLT-QXATTWAWSA-N 0 0 320.502 3.018 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)c3ccsc3)CC2)cc1 ZINC001324299076 1108241430 /nfs/dbraw/zinc/24/14/30/1108241430.db2.gz TWFMIIBNZKXISN-UHFFFAOYSA-N 0 0 316.426 3.109 20 10 DGCDRN CC1(C)C[C@]1(C(=O)NCc1cccc(O)c1O)c1ccccc1 ZINC001263896219 1108288533 /nfs/dbraw/zinc/28/85/33/1108288533.db2.gz RZHBOGZILXWNNT-LJQANCHMSA-N 0 0 311.381 3.082 20 10 DGCDRN C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccc(F)c(F)c1 ZINC001319077282 1108303737 /nfs/dbraw/zinc/30/37/37/1108303737.db2.gz AZOKQCVLQXMBNS-GFCCVEGCSA-N 0 0 318.367 3.451 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)CC3CCCC3)CC2)cc1 ZINC001319381831 1108438686 /nfs/dbraw/zinc/43/86/86/1108438686.db2.gz UZDYRGIPIIUPPW-UHFFFAOYSA-N 0 0 316.445 3.314 20 10 DGCDRN CCn1nc(C)c(CN(c2ccc(OC)cc2)[C@@H](C)C2CC2)n1 ZINC001324720036 1108440295 /nfs/dbraw/zinc/44/02/95/1108440295.db2.gz HORVZTWTJLKXPP-AWEZNQCLSA-N 0 0 314.433 3.420 20 10 DGCDRN C[C@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@@H]1CCCO1 ZINC001264286944 1108455553 /nfs/dbraw/zinc/45/55/53/1108455553.db2.gz DPJFFIMPOMDHQI-YJBOKZPZSA-N 0 0 316.445 3.060 20 10 DGCDRN CCCCCC(=O)N1CCN(c2ccc(OCC)cc2)CC1 ZINC001319496896 1108493423 /nfs/dbraw/zinc/49/34/23/1108493423.db2.gz VJBWCPWOLOYDDJ-UHFFFAOYSA-N 0 0 304.434 3.314 20 10 DGCDRN Cc1ccccc1C(F)(F)C(=O)NCc1ccc(N(C)C)cc1 ZINC001319601922 1108548063 /nfs/dbraw/zinc/54/80/63/1108548063.db2.gz TWKYHABAEGKHSR-UHFFFAOYSA-N 0 0 318.367 3.469 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)/C(C)=C(/C)CC)CC2)cc1 ZINC001325091837 1108575415 /nfs/dbraw/zinc/57/54/15/1108575415.db2.gz SSMCCRMOLZQETI-NXVVXOECSA-N 0 0 316.445 3.480 20 10 DGCDRN Cc1noc(C2CC2)c1C(=O)Nc1c2nonc2ccc1Cl ZINC001325345677 1108628352 /nfs/dbraw/zinc/62/83/52/1108628352.db2.gz NWSFGXJBBMJCCZ-UHFFFAOYSA-N 0 0 318.720 3.302 20 10 DGCDRN c1coc([C@H]2COCCN2Cc2ccc(N3CCCC3)cc2)c1 ZINC001319949680 1108711153 /nfs/dbraw/zinc/71/11/53/1108711153.db2.gz BURJIDAOPAKKIW-GOSISDBHSA-N 0 0 312.413 3.453 20 10 DGCDRN CC[C@H](C)Oc1cc(NCc2ccc(OC)cc2O)nc(C)n1 ZINC001307105138 1110279118 /nfs/dbraw/zinc/27/91/18/1110279118.db2.gz HXYWSMZBPXCORJ-NSHDSACASA-N 0 0 317.389 3.289 20 10 DGCDRN Cc1c2ccccc2oc(=O)c1C(=O)N[C@H](C)c1ccccc1O ZINC001302530655 1111117306 /nfs/dbraw/zinc/11/73/06/1111117306.db2.gz UZHRZBFFDFBLPD-GFCCVEGCSA-N 0 0 323.348 3.298 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1cccc(-c2ccoc2)c1 ZINC001303225254 1111137431 /nfs/dbraw/zinc/13/74/31/1111137431.db2.gz DIPVIIVADWPXQR-UHFFFAOYSA-N 0 0 309.321 3.288 20 10 DGCDRN C/C(=C\C(=O)NCc1cc(O)ccc1O)c1cccc(Cl)c1 ZINC001303225428 1111137490 /nfs/dbraw/zinc/13/74/90/1111137490.db2.gz HUEZLHJURORMTO-YRNVUSSQSA-N 0 0 317.772 3.471 20 10 DGCDRN CC(C)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)c(O)c1 ZINC001303631402 1111149681 /nfs/dbraw/zinc/14/96/81/1111149681.db2.gz AZJMWOLIOGKJPK-INIZCTEOSA-N 0 0 313.397 3.024 20 10 DGCDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001303661246 1111150920 /nfs/dbraw/zinc/15/09/20/1111150920.db2.gz WBLWOKNWTVZHLA-KXGXSXBTSA-N 0 0 317.410 3.334 20 10 DGCDRN O=C(CCSc1ccc(F)cc1)NCc1c(O)cccc1F ZINC001303877337 1111156645 /nfs/dbraw/zinc/15/66/45/1111156645.db2.gz AXNOZRZOAQOWMQ-UHFFFAOYSA-N 0 0 323.364 3.469 20 10 DGCDRN Cc1ccc2c(CC(=O)NCc3c(O)cccc3F)coc2c1 ZINC001303877343 1111156772 /nfs/dbraw/zinc/15/67/72/1111156772.db2.gz BAOBATDLPBGFHX-UHFFFAOYSA-N 0 0 313.328 3.445 20 10 DGCDRN CCCCc1ccc(CC(=O)NCc2c(O)cccc2O)cc1 ZINC001304050028 1111163743 /nfs/dbraw/zinc/16/37/43/1111163743.db2.gz GWBCCVFAPYKTNV-UHFFFAOYSA-N 0 0 313.397 3.299 20 10 DGCDRN C[C@H](C(=O)NCc1c(O)cccc1O)c1cn(C)c2ccccc12 ZINC001304053480 1111164093 /nfs/dbraw/zinc/16/40/93/1111164093.db2.gz LWCFFCLPCAXNBZ-LBPRGKRZSA-N 0 0 324.380 3.009 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1cc(F)c(F)c(F)c1 ZINC001305070124 1111192855 /nfs/dbraw/zinc/19/28/55/1111192855.db2.gz YPXMDNKMNKVVGJ-UHFFFAOYSA-N 0 0 315.678 3.393 20 10 DGCDRN Cc1ccc([C@@H](C)CNC(=O)c2c(F)ccc(O)c2O)cc1 ZINC001306607586 1111234260 /nfs/dbraw/zinc/23/42/60/1111234260.db2.gz BADIWTCBAYBOAE-NSHDSACASA-N 0 0 303.333 3.079 20 10 DGCDRN CSc1ccccc1[C@H](C)NC(=O)c1c(F)ccc(O)c1O ZINC001306834882 1111243262 /nfs/dbraw/zinc/24/32/62/1111243262.db2.gz RUABYFQTCVIJLG-VIFPVBQESA-N 0 0 321.373 3.450 20 10 DGCDRN CCc1cc(N[C@H](C)c2ccccc2O)nc(-c2ccncc2)n1 ZINC001307188862 1111276752 /nfs/dbraw/zinc/27/67/52/1111276752.db2.gz UESJQLARECZNRQ-CYBMUJFWSA-N 0 0 320.396 3.402 20 10 DGCDRN O=[N+]([O-])c1ccc(N2Cc3cccc(O)c3C2)c2ncccc12 ZINC001307192999 1111277747 /nfs/dbraw/zinc/27/77/47/1111277747.db2.gz OXSPBHGBVWWTFD-UHFFFAOYSA-N 0 0 307.309 3.369 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCCOc1ccc(F)cc1 ZINC001308230078 1111401217 /nfs/dbraw/zinc/40/12/17/1111401217.db2.gz SABRHUSWXUERKE-UHFFFAOYSA-N 0 0 311.303 3.368 20 10 DGCDRN O=C1CCc2ccc(NCc3cc(F)cc(F)c3O)cc2N1 ZINC001308320964 1111416408 /nfs/dbraw/zinc/41/64/08/1111416408.db2.gz GIYIPCRKOBALHX-UHFFFAOYSA-N 0 0 304.296 3.167 20 10 DGCDRN CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(F)c(F)c2[O-])C12CCC2 ZINC001308607081 1111450412 /nfs/dbraw/zinc/45/04/12/1111450412.db2.gz KNEDZUNNAWCGNT-KBPBESRZSA-N 0 0 311.372 3.450 20 10 DGCDRN CC(C)n1cc2c(n1)[C@H]([NH2+]Cc1cccc(F)c1[O-])CCC2 ZINC001308665618 1111457583 /nfs/dbraw/zinc/45/75/83/1111457583.db2.gz BXRRHAZDBOGNCX-OAHLLOKOSA-N 0 0 303.381 3.476 20 10 DGCDRN COC(=O)c1ccc2c(c1)CCN2Cc1ccc(N(C)C)cc1C ZINC001308706740 1111463746 /nfs/dbraw/zinc/46/37/46/1111463746.db2.gz OZTJEXRZSNKJNG-UHFFFAOYSA-N 0 0 324.424 3.410 20 10 DGCDRN C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(F)cc(F)c1[O-] ZINC001308713345 1111465299 /nfs/dbraw/zinc/46/52/99/1111465299.db2.gz XXQJXYYZXPJPGV-UHFFFAOYSA-N 0 0 322.311 3.253 20 10 DGCDRN Cc1cccc2c1OC[C@@H]([NH2+]Cc1cc(F)c(F)cc1[O-])C2 ZINC001308801036 1111477371 /nfs/dbraw/zinc/47/73/71/1111477371.db2.gz FVEHBGKUEKQDGV-ZDUSSCGKSA-N 0 0 305.324 3.072 20 10 DGCDRN Oc1cc(Cl)ccc1CN1CCC2(C1)Oc1ccccc1O2 ZINC001308801216 1111477407 /nfs/dbraw/zinc/47/74/07/1111477407.db2.gz IDPJNEBPUIFMJN-UHFFFAOYSA-N 0 0 317.772 3.419 20 10 DGCDRN CCOc1ncc(C)cc1NC(=O)N[C@H](C)c1ccccc1O ZINC001310804484 1111571680 /nfs/dbraw/zinc/57/16/80/1111571680.db2.gz SMSIXTCUKVJSPJ-GFCCVEGCSA-N 0 0 315.373 3.377 20 10 DGCDRN COc1cc(NC(=O)N[C@H](C)c2ccccc2O)cc(Cl)n1 ZINC001310860402 1111573682 /nfs/dbraw/zinc/57/36/82/1111573682.db2.gz PLJLSBDRLYJXFD-SECBINFHSA-N 0 0 321.764 3.332 20 10 DGCDRN CSc1cccnc1NC(=O)NCc1cc(Cl)ccc1O ZINC001310967749 1111577731 /nfs/dbraw/zinc/57/77/31/1111577731.db2.gz NWXNMOUTMRYUCC-UHFFFAOYSA-N 0 0 323.805 3.484 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1nocc1C ZINC001311192467 1111588636 /nfs/dbraw/zinc/58/86/36/1111588636.db2.gz FOKUYNRRUPEKGX-UHFFFAOYSA-N 0 0 317.389 3.201 20 10 DGCDRN Cc1cc(F)ccc1CCNC(=O)N[C@@H](C)c1ccccc1O ZINC001312223152 1111642756 /nfs/dbraw/zinc/64/27/56/1111642756.db2.gz YCBHCSNOTIBIEI-ZDUSSCGKSA-N 0 0 316.376 3.443 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@H](C)[C@H]1C ZINC001312883409 1111679703 /nfs/dbraw/zinc/67/97/03/1111679703.db2.gz CSFTWNQSEFTRLL-CWRNSKLLSA-N 0 0 317.477 3.432 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@]2(C)CC2(C)C)c1 ZINC001313225214 1111702403 /nfs/dbraw/zinc/70/24/03/1111702403.db2.gz PCWNHKNVQVYOEZ-APPDUMDISA-N 0 0 306.406 3.197 20 10 DGCDRN C[C@H]([NH2+]Cc1cccc(Br)n1)c1ccccc1O ZINC001620504851 1193773270 /nfs/dbraw/zinc/77/32/70/1193773270.db2.gz CUHDLNVAKQQUEE-JTQLQIEISA-N 0 0 307.191 3.401 20 10 DGCDRN CC[C@@H](C)[C@H](OC)C(=O)NCc1c(C)c2ccccc2n1C ZINC000357144351 529424638 /nfs/dbraw/zinc/42/46/38/529424638.db2.gz AOIHDRJGQTXKGQ-PXAZEXFGSA-N 0 0 302.418 3.164 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCC1CCCC1 ZINC000173206143 529785815 /nfs/dbraw/zinc/78/58/15/529785815.db2.gz RKHXFTDFELXKNQ-UHFFFAOYSA-N 0 0 302.418 3.448 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCCC(F)(F)F ZINC000355965047 529785834 /nfs/dbraw/zinc/78/58/34/529785834.db2.gz LFNHFNLGBWJINE-UHFFFAOYSA-N 0 0 316.323 3.211 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccnc(C2CC2)c1 ZINC000341161501 529786086 /nfs/dbraw/zinc/78/60/86/529786086.db2.gz PATSEIMYMQCIDM-UHFFFAOYSA-N 0 0 323.396 3.064 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2[nH]ccc2c1 ZINC000173193915 529786309 /nfs/dbraw/zinc/78/63/09/529786309.db2.gz ASCSHHVUTCSNHE-UHFFFAOYSA-N 0 0 321.380 3.273 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCCC(F)(F)C1 ZINC000281895553 282295316 /nfs/dbraw/zinc/29/53/16/282295316.db2.gz MIYHKFOURSTUMG-GFCCVEGCSA-N 0 0 324.371 3.304 20 10 DGCDRN Cc1cncc(/C=C/C(=O)N(C[C@H]2CCCO2)c2ccncc2)c1 ZINC000130011711 432013302 /nfs/dbraw/zinc/01/33/02/432013302.db2.gz UZRZEIUSPJHLIF-SHCNBLLESA-N 0 0 323.396 3.010 20 10 DGCDRN C[C@@H](CNC(=O)N(C)Cc1ccccc1O)Oc1ccccc1 ZINC000073221693 191294961 /nfs/dbraw/zinc/29/49/61/191294961.db2.gz QIDANALPHMDNBE-AWEZNQCLSA-N 0 0 314.385 3.001 20 10 DGCDRN CC(C)(C)c1cnc(SCCn2cc([N+](=O)[O-])cn2)s1 ZINC000164338752 432047278 /nfs/dbraw/zinc/04/72/78/432047278.db2.gz UYFJWEPHOLCSSS-UHFFFAOYSA-N 0 0 312.420 3.338 20 10 DGCDRN CC(C)(C)OC(=O)N1CC[C@H](CSc2nccs2)C1 ZINC000085340109 192492312 /nfs/dbraw/zinc/49/23/12/192492312.db2.gz PKLNANVKWKINCI-JTQLQIEISA-N 0 0 300.449 3.492 20 10 DGCDRN CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(C)c(O)c1O ZINC000179437676 432058380 /nfs/dbraw/zinc/05/83/80/432058380.db2.gz GBKODMUZYDCLBA-UHFFFAOYSA-N 0 0 315.369 3.077 20 10 DGCDRN CCCCO[C@H]1C[C@H](N(C)C(=O)Cc2ccc(N)cc2)C1(C)C ZINC000236864738 202043483 /nfs/dbraw/zinc/04/34/83/202043483.db2.gz FKGKIHLAHCHUIP-IRXDYDNUSA-N 0 0 318.461 3.254 20 10 DGCDRN Cc1ccc(C(=O)N2CC[C@@H](Cc3ccccc3)C2)c(O)c1O ZINC000179515019 432060930 /nfs/dbraw/zinc/06/09/30/432060930.db2.gz YCMCCLNWXSSRHF-HNNXBMFYSA-N 0 0 311.381 3.111 20 10 DGCDRN Cc1nnc([C@H]2Cc3ccccc3CN2Cc2ccccc2O)o1 ZINC000179562315 432062853 /nfs/dbraw/zinc/06/28/53/432062853.db2.gz UFQHAXTYXLHSDG-QGZVFWFLSA-N 0 0 321.380 3.383 20 10 DGCDRN COc1ccc(C[N@H+](C)Cc2cccc(Cl)c2[O-])cc1O ZINC000179832482 432072028 /nfs/dbraw/zinc/07/20/28/432072028.db2.gz SHDKBBLGMSPTRW-UHFFFAOYSA-N 0 0 307.777 3.392 20 10 DGCDRN CCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2C)c(O)c1 ZINC000170699456 432077946 /nfs/dbraw/zinc/07/79/46/432077946.db2.gz RRQSUHBJLMCZSN-QGZVFWFLSA-N 0 0 312.369 3.377 20 10 DGCDRN C[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000277003709 295982039 /nfs/dbraw/zinc/98/20/39/295982039.db2.gz ZRLQQMIEFBPYIM-YUMQZZPRSA-N 0 0 313.266 3.288 20 10 DGCDRN Cc1cc(C(=O)N2CCCO[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC000171012412 432095153 /nfs/dbraw/zinc/09/51/53/432095153.db2.gz OZNBHCFJSWBNGY-HNNXBMFYSA-N 0 0 312.413 3.345 20 10 DGCDRN C[C@@H]([NH2+]C1CCN(C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000184897637 296114687 /nfs/dbraw/zinc/11/46/87/296114687.db2.gz LASSWPWYBXYFJT-SECBINFHSA-N 0 0 303.233 3.444 20 10 DGCDRN CCOc1cccc(CN2CCOC[C@@H]2c2ccc(C)o2)c1O ZINC000093459817 193255502 /nfs/dbraw/zinc/25/55/02/193255502.db2.gz RHHWDQIHDBOKOI-OAHLLOKOSA-N 0 0 317.385 3.266 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)C[C@H](O)CC(C)(C)C ZINC000487549828 245073998 /nfs/dbraw/zinc/07/39/98/245073998.db2.gz HVPPVQRONODPRZ-AWEZNQCLSA-N 0 0 316.445 3.290 20 10 DGCDRN CN(C(=O)/C=C/c1cn(C)c2ccccc12)c1cccc(F)n1 ZINC000493500261 245996105 /nfs/dbraw/zinc/99/61/05/245996105.db2.gz SFIIBNYOKFIWJI-ZHACJKMWSA-N 0 0 309.344 3.389 20 10 DGCDRN CCOc1ccc(/C=C2/SC(=S)N(CC)C2=O)cc1OC ZINC000020608727 182237882 /nfs/dbraw/zinc/23/78/82/182237882.db2.gz DZOKNYVRFCNNHJ-UKTHLTGXSA-N 0 0 323.439 3.315 20 10 DGCDRN CCO[C@@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000042423871 183268411 /nfs/dbraw/zinc/26/84/11/183268411.db2.gz AYCITAFVOIDFKU-CQSZACIVSA-N 0 0 311.809 3.249 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccc(C)nc1 ZINC000066699812 184425176 /nfs/dbraw/zinc/42/51/76/184425176.db2.gz ZZOZAQJGGKZMHQ-UHFFFAOYSA-N 0 0 313.401 3.217 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000067731829 184483498 /nfs/dbraw/zinc/48/34/98/184483498.db2.gz LTDJXKRQGQMDIB-JKSUJKDBSA-N 0 0 314.360 3.229 20 10 DGCDRN COc1ncc(Cl)c(N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000302421820 533218178 /nfs/dbraw/zinc/21/81/78/533218178.db2.gz OIEPLGXGHRPRRX-JTQLQIEISA-N 0 0 306.797 3.378 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000378517112 285380539 /nfs/dbraw/zinc/38/05/39/285380539.db2.gz JCKWPLAOWBOJJB-QGZVFWFLSA-N 0 0 321.779 3.278 20 10 DGCDRN CSC1(C(=O)NCc2c(C)c3ccccc3n2C)CCC1 ZINC000348698579 533474336 /nfs/dbraw/zinc/47/43/36/533474336.db2.gz KXLISRVNJUJGSY-UHFFFAOYSA-N 0 0 302.443 3.389 20 10 DGCDRN O=C(NCc1ccccc1O)C1(c2ccc(F)cc2F)CCC1 ZINC000271946114 129982022 /nfs/dbraw/zinc/98/20/22/129982022.db2.gz AEXNWRQTBVKDHU-UHFFFAOYSA-N 0 0 317.335 3.409 20 10 DGCDRN CCN(Cc1ccc(CO)cc1)c1ccc(OC)c(OC)c1 ZINC000272199967 130007534 /nfs/dbraw/zinc/00/75/34/130007534.db2.gz AJWATIUFSWSZAX-UHFFFAOYSA-N 0 0 301.386 3.223 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccc([S@](C)=O)cc1 ZINC000272421155 130028954 /nfs/dbraw/zinc/02/89/54/130028954.db2.gz LZCQUHNYOGHGAQ-FIKIJFGZSA-N 0 0 307.390 3.120 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)CCCOC ZINC000272565980 130041900 /nfs/dbraw/zinc/04/19/00/130041900.db2.gz QIUSTSDJGPGRNY-OAHLLOKOSA-N 0 0 306.450 3.164 20 10 DGCDRN COc1cc(C(=O)Nc2cccc(N3CCCC3)c2)ccc1O ZINC000272620111 130046181 /nfs/dbraw/zinc/04/61/81/130046181.db2.gz QSRWSSWSPXQNOR-UHFFFAOYSA-N 0 0 312.369 3.253 20 10 DGCDRN COc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273386001 130114243 /nfs/dbraw/zinc/11/42/43/130114243.db2.gz JLXMQKMZMNCMOF-LLVKDONJSA-N 0 0 302.330 3.160 20 10 DGCDRN C[C@@H](N[C@H](CO)c1c(F)cccc1F)c1ccc(F)cc1O ZINC000273512994 130130325 /nfs/dbraw/zinc/13/03/25/130130325.db2.gz RZNLSGQAPVHSGM-YMTOWFKASA-N 0 0 311.303 3.194 20 10 DGCDRN Cc1ccc(O)c([C@@H](C)N[C@H](CO)c2c(F)cccc2F)c1 ZINC000273526985 130132154 /nfs/dbraw/zinc/13/21/54/130132154.db2.gz VMCJIAPVSVZCJJ-IAQYHMDHSA-N 0 0 307.340 3.363 20 10 DGCDRN COCCC1(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])CCC1 ZINC000273556269 130136153 /nfs/dbraw/zinc/13/61/53/130136153.db2.gz GXAQBDABHVNFIY-CYBMUJFWSA-N 0 0 321.417 3.036 20 10 DGCDRN C[C@H]([NH2+]CCc1ccc(Cl)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273572545 130138252 /nfs/dbraw/zinc/13/82/52/130138252.db2.gz KYUSIXDCPWUIMT-JTQLQIEISA-N 0 0 321.764 3.242 20 10 DGCDRN CC[C@H]([NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-])c1ccncc1 ZINC000273587984 130140580 /nfs/dbraw/zinc/14/05/80/130140580.db2.gz OJKGYCIYYHIGNX-WBMJQRKESA-N 0 0 314.385 3.376 20 10 DGCDRN C[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1O)c1cnn(C)c1 ZINC000273578022 130140914 /nfs/dbraw/zinc/14/09/14/130140914.db2.gz MCZIFSZRZKGJKO-NXEZZACHSA-N 0 0 324.222 3.300 20 10 DGCDRN CCC[C@@](C)(NCc1ccc(OC)c(COCC)c1)C(=O)OC ZINC000273914546 130185994 /nfs/dbraw/zinc/18/59/94/130185994.db2.gz YIASKIVEOOXOPX-GOSISDBHSA-N 0 0 323.433 3.053 20 10 DGCDRN CCC1(CC)CN(C(=O)c2ccc(C)c(O)c2O)CCS1 ZINC000274318405 130226197 /nfs/dbraw/zinc/22/61/97/130226197.db2.gz AHLSHHFLGJNMDP-UHFFFAOYSA-N 0 0 309.431 3.154 20 10 DGCDRN CN(C)c1ccc(CNc2ccc3nnc(C(C)(C)C)n3n2)cc1 ZINC000274692074 130254986 /nfs/dbraw/zinc/25/49/86/130254986.db2.gz QYCLIKMUQOTCGG-UHFFFAOYSA-N 0 0 324.432 3.100 20 10 DGCDRN CC[C@H](Nc1cccc(N2CCNC2=O)c1)c1ccccc1O ZINC000274769498 130260811 /nfs/dbraw/zinc/26/08/11/130260811.db2.gz MGKKALSCJULUHH-INIZCTEOSA-N 0 0 311.385 3.485 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N(C)c1ccn(C)n1 ZINC000274827588 130265591 /nfs/dbraw/zinc/26/55/91/130265591.db2.gz UGEQEDHKGUXUBF-UHFFFAOYSA-N 0 0 322.412 3.413 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ncc(F)cc1F ZINC000277103452 130581810 /nfs/dbraw/zinc/58/18/10/130581810.db2.gz PNZSNXMJMXKDDL-UHFFFAOYSA-N 0 0 319.355 3.088 20 10 DGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@@H]2CCC(F)(F)C2)c1[O-] ZINC000281852393 130888994 /nfs/dbraw/zinc/88/89/94/130888994.db2.gz YKWZQEXXNZZMBT-MRVPVSSYSA-N 0 0 320.723 3.479 20 10 DGCDRN C[C@@H]1C[C@H](C)[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)O1 ZINC000282529374 130927435 /nfs/dbraw/zinc/92/74/35/130927435.db2.gz LQVUPFSGAYFWQC-PMUMKWKESA-N 0 0 316.445 3.057 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)CCOC ZINC000283542403 131001857 /nfs/dbraw/zinc/00/18/57/131001857.db2.gz DDCHDYICMJJDBP-CQSZACIVSA-N 0 0 308.422 3.129 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCCOCC1 ZINC000283701440 131014810 /nfs/dbraw/zinc/01/48/10/131014810.db2.gz SFHBADLLJNUNOE-MRXNPFEDSA-N 0 0 320.433 3.273 20 10 DGCDRN CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H](C)C(=O)[O-])cc1 ZINC000284382920 131075953 /nfs/dbraw/zinc/07/59/53/131075953.db2.gz YGJVYYGKBCJFFO-OAHLLOKOSA-N 0 0 312.413 3.276 20 10 DGCDRN CC[C@@H](C)N1CC(=O)N(Cc2ccc(N(CC)CC)cc2)C1=O ZINC000285751127 131198383 /nfs/dbraw/zinc/19/83/83/131198383.db2.gz ASICAKZAPUFIBE-CQSZACIVSA-N 0 0 317.433 3.096 20 10 DGCDRN CC[C@H]([NH2+]CCc1cn2ccccc2n1)c1ccc(F)cc1[O-] ZINC000285883000 131206906 /nfs/dbraw/zinc/20/69/06/131206906.db2.gz ZPMCFKMUDAPHFF-INIZCTEOSA-N 0 0 313.376 3.462 20 10 DGCDRN CC[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccc(F)cc1[O-] ZINC000286036788 131217041 /nfs/dbraw/zinc/21/70/41/131217041.db2.gz KKGMESWMYUJTTE-WMZOPIPTSA-N 0 0 303.377 3.480 20 10 DGCDRN CC1(C)CC[C@@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000286566592 131241327 /nfs/dbraw/zinc/24/13/27/131241327.db2.gz ITBGYKYFPSFCCK-INIZCTEOSA-N 0 0 301.434 3.275 20 10 DGCDRN C[C@H](N[C@@H](C)C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000287360788 131277306 /nfs/dbraw/zinc/27/73/06/131277306.db2.gz OAEGRMVDMICFRB-QWRGUYRKSA-N 0 0 320.330 3.264 20 10 DGCDRN CC[C@@H]([NH2+]CCCOCCO)c1cc(Cl)cc(Cl)c1[O-] ZINC000287601314 131288869 /nfs/dbraw/zinc/28/88/69/131288869.db2.gz IPGJJEWAFGCUHL-CYBMUJFWSA-N 0 0 322.232 3.139 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CC(=O)N(C(C)C)C1)c1cccc(Cl)c1[O-] ZINC000287724841 131296413 /nfs/dbraw/zinc/29/64/13/131296413.db2.gz OSZUXXUOGSQDHH-RISCZKNCSA-N 0 0 310.825 3.096 20 10 DGCDRN Cc1cc(C(=O)N2CCCOC2)c(C)n1-c1ccc(F)cc1 ZINC000288530643 131329619 /nfs/dbraw/zinc/32/96/19/131329619.db2.gz WTXQBOXFJMDATL-UHFFFAOYSA-N 0 0 302.349 3.053 20 10 DGCDRN Cc1ccc(CCC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)s1 ZINC000291705621 131593837 /nfs/dbraw/zinc/59/38/37/131593837.db2.gz PIRPXJYZICNEQU-LLVKDONJSA-N 0 0 319.426 3.148 20 10 DGCDRN COCc1cc(NCc2cccc(C)c2O)cc(C(=O)OC)c1 ZINC000292220451 131634097 /nfs/dbraw/zinc/63/40/97/131634097.db2.gz ADEFLDVPFNBYJU-UHFFFAOYSA-N 0 0 315.369 3.246 20 10 DGCDRN CCN(CC)c1ccc(CNc2ccc(C(N)=O)c(F)c2)cc1 ZINC000292406320 131648482 /nfs/dbraw/zinc/64/84/82/131648482.db2.gz BDSQRXMBGDOFGJ-UHFFFAOYSA-N 0 0 315.392 3.383 20 10 DGCDRN C[C@@H](C(=O)NCc1ccccc1O)[C@H]1OCCc2sccc21 ZINC000293675144 131757632 /nfs/dbraw/zinc/75/76/32/131757632.db2.gz KJUXENIBWBQVPY-BDJLRTHQSA-N 0 0 317.410 3.020 20 10 DGCDRN CC(C)c1cccc(O[C@@H](C)C(=O)NCc2ccc(N)cc2)c1 ZINC000297183861 132003023 /nfs/dbraw/zinc/00/30/23/132003023.db2.gz LLCFICZBRVTMPO-AWEZNQCLSA-N 0 0 312.413 3.476 20 10 DGCDRN CCC[C@@H](CNC(=O)N(CCC)Cc1ccccc1O)OC ZINC000297780250 132034222 /nfs/dbraw/zinc/03/42/22/132034222.db2.gz WUBYUSVZAQFYMQ-HNNXBMFYSA-N 0 0 308.422 3.129 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H](OC)[C@H](C)CC ZINC000297985353 132043414 /nfs/dbraw/zinc/04/34/14/132043414.db2.gz CCTKCVHZCBOCFS-RHSMWYFYSA-N 0 0 322.449 3.375 20 10 DGCDRN CC(C)OCCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000298294419 132055317 /nfs/dbraw/zinc/05/53/17/132055317.db2.gz AKLMMHVPZVWBIL-UHFFFAOYSA-N 0 0 306.450 3.305 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(F)cc1F ZINC000298375808 132059111 /nfs/dbraw/zinc/05/91/11/132059111.db2.gz GGMLSMJTUXIMAY-UHFFFAOYSA-N 0 0 316.351 3.495 20 10 DGCDRN CC(=O)c1ccc(CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000298690007 132073655 /nfs/dbraw/zinc/07/36/55/132073655.db2.gz MQNIBWQDQAUNTJ-UHFFFAOYSA-N 0 0 324.424 3.156 20 10 DGCDRN CCN(Cc1cccc(C(=O)N(C)C)c1)c1ccc(OC)cc1 ZINC000299410966 132103767 /nfs/dbraw/zinc/10/37/67/132103767.db2.gz ZVBCPQNTOYKAGS-UHFFFAOYSA-N 0 0 312.413 3.424 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1ccccc1N1CCCC1 ZINC000299550918 132110680 /nfs/dbraw/zinc/11/06/80/132110680.db2.gz XKXSXWBOKUFGEO-UHFFFAOYSA-N 0 0 311.385 3.314 20 10 DGCDRN Cc1ccc(C(=O)N2CCc3sccc3[C@@H]2C)c(O)c1O ZINC000272569287 292065565 /nfs/dbraw/zinc/06/55/65/292065565.db2.gz HVOKOMFXAJFAGU-JTQLQIEISA-N 0 0 303.383 3.227 20 10 DGCDRN Cc1ccc(F)cc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000072540698 292120995 /nfs/dbraw/zinc/12/09/95/292120995.db2.gz AQVCUBPJTXALCT-UHFFFAOYSA-N 0 0 314.360 3.239 20 10 DGCDRN CN(Cc1ccccc1O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000092689346 400196329 /nfs/dbraw/zinc/19/63/29/400196329.db2.gz AXWGJBUNRIZHGY-UHFFFAOYSA-N 0 0 309.325 3.485 20 10 DGCDRN COc1cccc(CCC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000023423951 400210076 /nfs/dbraw/zinc/21/00/76/400210076.db2.gz KYDVFDFDVJNVSK-UHFFFAOYSA-N 0 0 312.413 3.010 20 10 DGCDRN COc1ccccc1CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000028046879 400286040 /nfs/dbraw/zinc/28/60/40/400286040.db2.gz KKKONBHUVXELLO-UHFFFAOYSA-N 0 0 324.424 3.154 20 10 DGCDRN O=C(Nc1cccc(N2CCCC2)c1)c1ccc2c(c1)OCCO2 ZINC000030826309 400332608 /nfs/dbraw/zinc/33/26/08/400332608.db2.gz AADHGVCJQFOGSB-UHFFFAOYSA-N 0 0 324.380 3.310 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cc(Cl)c[nH]1 ZINC000041365356 400405386 /nfs/dbraw/zinc/40/53/86/400405386.db2.gz DYCPZBOEJNYBBR-UHFFFAOYSA-N 0 0 303.793 3.198 20 10 DGCDRN CCO[C@H](C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000075883081 400616438 /nfs/dbraw/zinc/61/64/38/400616438.db2.gz HBNGOTLCGSPVNZ-OAHLLOKOSA-N 0 0 304.434 3.060 20 10 DGCDRN C[C@H]1C[C@H]1CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000047098327 400600970 /nfs/dbraw/zinc/60/09/70/400600970.db2.gz PTWCZJIZGLZZQB-RDJZCZTQSA-N 0 0 315.461 3.474 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1nccs1 ZINC000055158303 400855374 /nfs/dbraw/zinc/85/53/74/400855374.db2.gz UYLYPDLPMIJNMP-UHFFFAOYSA-N 0 0 317.458 3.190 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C=C(C2CC2)C2CC2)cc1F ZINC000058734092 401069183 /nfs/dbraw/zinc/06/91/83/401069183.db2.gz RCEFXPXOOKBHRW-UHFFFAOYSA-N 0 0 302.393 3.254 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2CC=CCC2)cc1 ZINC000060128016 401100688 /nfs/dbraw/zinc/10/06/88/401100688.db2.gz OVZYLKVQDLRCMQ-OAHLLOKOSA-N 0 0 301.434 3.250 20 10 DGCDRN Cc1ccc(CC(=O)N2CCOc3cc(N(C)C)ccc32)cc1C ZINC000608250398 401213830 /nfs/dbraw/zinc/21/38/30/401213830.db2.gz QIGMFLQBJUUROF-UHFFFAOYSA-N 0 0 324.424 3.338 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)Cc2ccc(F)cc2F)cc1 ZINC000087024000 401182095 /nfs/dbraw/zinc/18/20/95/401182095.db2.gz GNLHSJHWSNDDPI-UHFFFAOYSA-N 0 0 318.367 3.232 20 10 DGCDRN CCCC[C@@H](CC)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000065835114 401281179 /nfs/dbraw/zinc/28/11/79/401281179.db2.gz NNOXYGXZNVSVNP-QGZVFWFLSA-N 0 0 318.461 3.356 20 10 DGCDRN C[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000246985393 432188343 /nfs/dbraw/zinc/18/83/43/432188343.db2.gz RVFYVBUIMCTLQI-TYNCELHUSA-N 0 0 324.371 3.029 20 10 DGCDRN COc1ccccc1-c1nnc(CSc2nccs2)o1 ZINC000150918685 432202051 /nfs/dbraw/zinc/20/20/51/432202051.db2.gz JVIPHYARILRGBK-UHFFFAOYSA-N 0 0 305.384 3.494 20 10 DGCDRN Cc1ccc(O)c([C@H](C)Nc2cccc(N3CCNC3=O)c2)c1 ZINC000273346937 228693492 /nfs/dbraw/zinc/69/34/92/228693492.db2.gz AVCNEMMWAONCAL-ZDUSSCGKSA-N 0 0 311.385 3.403 20 10 DGCDRN Cc1ccc([C@@H](C)Nc2ccc(CS(C)(=O)=O)cc2)c(O)c1 ZINC000273460550 228694372 /nfs/dbraw/zinc/69/43/72/228694372.db2.gz ICGWDFITQLYFPQ-CYBMUJFWSA-N 0 0 319.426 3.418 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)c1ccc(F)cc1 ZINC000348669278 229204490 /nfs/dbraw/zinc/20/44/90/229204490.db2.gz VDTJGRQBPVFYPW-UHFFFAOYSA-N 0 0 324.355 3.125 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cncnc1C(C)C ZINC000348667301 229204599 /nfs/dbraw/zinc/20/45/99/229204599.db2.gz OLAYFEDHGQKGNZ-UHFFFAOYSA-N 0 0 322.412 3.330 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cnn(CC(C)C)c1 ZINC000348657233 229205478 /nfs/dbraw/zinc/20/54/78/229205478.db2.gz BWUOHAIMPONDNL-UHFFFAOYSA-N 0 0 324.428 3.269 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cn(C)nc1C(C)C ZINC000348699421 229206457 /nfs/dbraw/zinc/20/64/57/229206457.db2.gz MENDDZLCXWOVOE-UHFFFAOYSA-N 0 0 324.428 3.274 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)Cc1cccn1C ZINC000350087899 229218643 /nfs/dbraw/zinc/21/86/43/229218643.db2.gz WMUDDTIVXHYQOR-UHFFFAOYSA-N 0 0 324.428 3.167 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ncccc1Cl ZINC000352079262 229243086 /nfs/dbraw/zinc/24/30/86/229243086.db2.gz HXWDNGQUNPWRAA-UHFFFAOYSA-N 0 0 313.788 3.465 20 10 DGCDRN Nc1ccc(CC(=O)N2CCC[C@H](Cc3ccccc3)C2)cc1 ZINC000372116515 229538938 /nfs/dbraw/zinc/53/89/38/229538938.db2.gz PFWKSTACFYCVCY-GOSISDBHSA-N 0 0 308.425 3.293 20 10 DGCDRN CC[C@H](C)[C@@H](C)C(=O)NCc1cccc(Br)c1O ZINC000277582081 287638912 /nfs/dbraw/zinc/63/89/12/287638912.db2.gz RMEMWLKHSCZWJB-VHSXEESVSA-N 0 0 314.223 3.453 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N(C)c1cnn(C)c1 ZINC000173011531 432252448 /nfs/dbraw/zinc/25/24/48/432252448.db2.gz DJAAVDSWCPRNPH-UHFFFAOYSA-N 0 0 322.412 3.413 20 10 DGCDRN CCc1nnc(NCc2c(C)c3ccccc3n2C)nc1CC ZINC000480512531 429721666 /nfs/dbraw/zinc/72/16/66/429721666.db2.gz GQECQOIGGFZEOK-UHFFFAOYSA-N 0 0 309.417 3.409 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCn3cccc3[C@H]2C)c1O ZINC000177236851 277106085 /nfs/dbraw/zinc/10/60/85/277106085.db2.gz JHADCXPTKPDIRQ-LLVKDONJSA-N 0 0 302.349 3.112 20 10 DGCDRN CC[C@H]([NH2+]CC1CCN(C(C)=O)CC1)c1cccc(Cl)c1[O-] ZINC000287568794 288038672 /nfs/dbraw/zinc/03/86/72/288038672.db2.gz GPHXIGGTZXJVOZ-INIZCTEOSA-N 0 0 324.852 3.345 20 10 DGCDRN CC[C@H](OC1CCCCC1)C(=O)N(C)Cc1ccccc1O ZINC000121461546 288134504 /nfs/dbraw/zinc/13/45/04/288134504.db2.gz BMORVHUZIXEKDN-KRWDZBQOSA-N 0 0 305.418 3.479 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)CC[C@@H]1CCCCO1 ZINC000111592981 431229383 /nfs/dbraw/zinc/22/93/83/431229383.db2.gz PQXBMXITEDODCI-INIZCTEOSA-N 0 0 305.418 3.480 20 10 DGCDRN CC(=O)c1cc(F)cc(CN(C)Cc2scnc2C)c1O ZINC000111671739 431233596 /nfs/dbraw/zinc/23/35/96/431233596.db2.gz GCFXAZMNAZVIFR-UHFFFAOYSA-N 0 0 308.378 3.131 20 10 DGCDRN CCCCCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000071798970 431289653 /nfs/dbraw/zinc/28/96/53/431289653.db2.gz MKMWJCLKKPQDML-INIZCTEOSA-N 0 0 305.418 3.480 20 10 DGCDRN C[C@H](c1nc(-c2cccnc2)no1)N(C)Cc1ccccc1O ZINC000112981661 431317886 /nfs/dbraw/zinc/31/78/86/431317886.db2.gz ZQQRMFDAQMKRDK-GFCCVEGCSA-N 0 0 310.357 3.030 20 10 DGCDRN CCc1cc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)n(C)n1 ZINC000116219594 431493683 /nfs/dbraw/zinc/49/36/83/431493683.db2.gz REBXOLDKDNZRSE-UHFFFAOYSA-N 0 0 323.400 3.037 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000116443159 431512594 /nfs/dbraw/zinc/51/25/94/431512594.db2.gz GCRYKMFFQJDCCN-STQMWFEESA-N 0 0 317.335 3.433 20 10 DGCDRN CCOc1cccc([C@H]2Nc3ccc(C)cc3C(=O)N2C)c1O ZINC000153688089 279974922 /nfs/dbraw/zinc/97/49/22/279974922.db2.gz SYLKTWCTPVHSEU-KRWDZBQOSA-N 0 0 312.369 3.296 20 10 DGCDRN CC[C@@H]1CCC[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000450045135 280307868 /nfs/dbraw/zinc/30/78/68/280307868.db2.gz FTLUHEPAOWFSDP-UKRRQHHQSA-N 0 0 302.418 3.304 20 10 DGCDRN Nc1ccc(CC(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000020185751 431623806 /nfs/dbraw/zinc/62/38/06/431623806.db2.gz HIYDYRHQHNHWCZ-UHFFFAOYSA-N 0 0 308.425 3.293 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)[C@H]1CCOC1 ZINC000119981361 431721450 /nfs/dbraw/zinc/72/14/50/431721450.db2.gz ZRCFATYDDZZEDU-KBPBESRZSA-N 0 0 318.442 3.310 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)[C@@H]1CCOC1 ZINC000119981187 431722511 /nfs/dbraw/zinc/72/25/11/431722511.db2.gz ZRCFATYDDZZEDU-ZIAGYGMSSA-N 0 0 318.442 3.310 20 10 DGCDRN CC1(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000120211853 431723555 /nfs/dbraw/zinc/72/35/55/431723555.db2.gz FCGHNHZKQPYICE-GFCCVEGCSA-N 0 0 324.371 3.173 20 10 DGCDRN Cc1ncc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)c(C)n1 ZINC000122926879 431848607 /nfs/dbraw/zinc/84/86/07/431848607.db2.gz XJNDNTRVSRXGIL-CYBMUJFWSA-N 0 0 310.445 3.327 20 10 DGCDRN CC[C@H](C)NC(=O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000038013744 431853265 /nfs/dbraw/zinc/85/32/65/431853265.db2.gz UNXAHMRMTSXXSQ-VIFPVBQESA-N 0 0 319.232 3.093 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1ccc(C)c(O)c1 ZINC000089439064 431866089 /nfs/dbraw/zinc/86/60/89/431866089.db2.gz DOFNVJDQHBCGMF-UHFFFAOYSA-N 0 0 313.397 3.388 20 10 DGCDRN Oc1cc2c(cc1CN1CCc3c4ccccc4[nH]c3C1)OCO2 ZINC000093759005 431917850 /nfs/dbraw/zinc/91/78/50/431917850.db2.gz XPRYJQIZATZGJM-UHFFFAOYSA-N 0 0 322.364 3.161 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(Cl)c[nH]1 ZINC000053661945 431964879 /nfs/dbraw/zinc/96/48/79/431964879.db2.gz UFEFGLDODZFSNR-UHFFFAOYSA-N 0 0 305.809 3.396 20 10 DGCDRN CCc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000173203227 281396556 /nfs/dbraw/zinc/39/65/56/281396556.db2.gz HGWDIEKXICPJRF-UHFFFAOYSA-N 0 0 310.397 3.354 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1ccsc1 ZINC000173192047 432263540 /nfs/dbraw/zinc/26/35/40/432263540.db2.gz BGZAJNQMZFJFLE-UHFFFAOYSA-N 0 0 316.426 3.172 20 10 DGCDRN CC(C)Cn1ncc(C(=O)NCc2ccccc2O)c1C1CC1 ZINC000271090344 432328626 /nfs/dbraw/zinc/32/86/26/432328626.db2.gz WBLCTSONNXXMIA-UHFFFAOYSA-N 0 0 313.401 3.052 20 10 DGCDRN Nc1ccc(CCNC(=O)c2csc3c2CCCC3)cc1 ZINC000152523802 432336920 /nfs/dbraw/zinc/33/69/20/432336920.db2.gz FZZOWZQUNGHOMG-UHFFFAOYSA-N 0 0 300.427 3.182 20 10 DGCDRN C[C@H](OC1CCCCCC1)C(=O)NCCc1ccc(N)cc1 ZINC000152563363 432342408 /nfs/dbraw/zinc/34/24/08/432342408.db2.gz IZXGZTSLMLDYIV-AWEZNQCLSA-N 0 0 304.434 3.055 20 10 DGCDRN CCNC(=O)COc1ccc(N[C@H](C)c2ccccc2O)cc1 ZINC000183649034 432313530 /nfs/dbraw/zinc/31/35/30/432313530.db2.gz MJSNAKPJERHECE-CYBMUJFWSA-N 0 0 314.385 3.080 20 10 DGCDRN O=C(C=Cc1cncc(F)c1)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000184365842 432383058 /nfs/dbraw/zinc/38/30/58/432383058.db2.gz XAVUPNLKJOZRNV-WXJAXGNASA-N 0 0 322.339 3.341 20 10 DGCDRN O=C(C=Cc1cccnc1)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000184376911 432384791 /nfs/dbraw/zinc/38/47/91/432384791.db2.gz WOQURMJHOSFACK-MRZGDXHCSA-N 0 0 304.349 3.202 20 10 DGCDRN CCc1nnc([C@@H](C)N[C@H](CC)c2ccc(N(C)C)cc2)[nH]1 ZINC000271443596 432397669 /nfs/dbraw/zinc/39/76/69/432397669.db2.gz FKTXFCXTMJXBLY-IUODEOHRSA-N 0 0 301.438 3.235 20 10 DGCDRN CS[C@H](C)CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000152875748 432365842 /nfs/dbraw/zinc/36/58/42/432365842.db2.gz XDMOSKQDGQTBDF-HIFRSBDPSA-N 0 0 323.458 3.041 20 10 DGCDRN CON(C)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000192374392 432367031 /nfs/dbraw/zinc/36/70/31/432367031.db2.gz JYLDLOIAQUDUTC-UHFFFAOYSA-N 0 0 305.422 3.158 20 10 DGCDRN C[C@@H]1CC[C@@H](CCC(=O)NCc2ccc(N3CCCC3)cc2)O1 ZINC000175369305 432429555 /nfs/dbraw/zinc/42/95/55/432429555.db2.gz PNWXEWALNCWDDG-QAPCUYQASA-N 0 0 316.445 3.251 20 10 DGCDRN O=C1CCCC(=O)N1Cc1ccc(NCc2ccccc2O)cc1 ZINC000184814131 432437138 /nfs/dbraw/zinc/43/71/38/432437138.db2.gz SUUZYXZWLZWUSD-UHFFFAOYSA-N 0 0 324.380 3.043 20 10 DGCDRN O=C(/C=C\c1cccnc1)N(Cc1ccco1)c1ccccn1 ZINC000255336918 432409602 /nfs/dbraw/zinc/40/96/02/432409602.db2.gz RGSYVZILQKUZEB-HJWRWDBZSA-N 0 0 305.337 3.316 20 10 DGCDRN C/C=C/C=C/C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000153953358 432458785 /nfs/dbraw/zinc/45/87/85/432458785.db2.gz WDIWVKZKRJRULW-AFTVTQNCSA-N 0 0 301.386 3.032 20 10 DGCDRN C[C@](O)(C[NH2+]Cc1cccc(Cl)c1[O-])c1ccc(F)cc1 ZINC000271801710 432423817 /nfs/dbraw/zinc/42/38/17/432423817.db2.gz JBOTYVGKNHNZBL-INIZCTEOSA-N 0 0 309.768 3.182 20 10 DGCDRN CCC(CC)n1nc(C)cc1C(=O)NCc1ccccc1O ZINC000271807053 432424763 /nfs/dbraw/zinc/42/47/63/432424763.db2.gz ISVOFQPDRQGKJQ-UHFFFAOYSA-N 0 0 301.390 3.188 20 10 DGCDRN Nc1ccc(CCNC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000262139173 432477177 /nfs/dbraw/zinc/47/71/77/432477177.db2.gz MFZZSFPOBNLRFO-QWHCGFSZSA-N 0 0 314.351 3.296 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1[O-] ZINC000185442426 432500081 /nfs/dbraw/zinc/50/00/81/432500081.db2.gz YOQRUPFEDFUTGJ-YPMHNXCESA-N 0 0 324.396 3.191 20 10 DGCDRN COc1cccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])c1OC ZINC000185076857 432464184 /nfs/dbraw/zinc/46/41/84/432464184.db2.gz ZBNZLUWKEPXGTH-LLVKDONJSA-N 0 0 305.349 3.399 20 10 DGCDRN CC[S@@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])C1 ZINC000185657427 432519690 /nfs/dbraw/zinc/51/96/90/432519690.db2.gz JRDJJEMLORZWLR-GCAAKWKVSA-N 0 0 313.438 3.262 20 10 DGCDRN CC(C)[C@@]1(C)C[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000186200430 432567657 /nfs/dbraw/zinc/56/76/57/432567657.db2.gz ZRNUNENGKJJBTP-KBXCAEBGSA-N 0 0 302.418 3.160 20 10 DGCDRN COC[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])OC ZINC000273455805 432600530 /nfs/dbraw/zinc/60/05/30/432600530.db2.gz PLUFLNBCGVPDSK-DTWKUNHWSA-N 0 0 308.205 3.011 20 10 DGCDRN CCOc1ccc(O)c(CNc2ccc(OC3COC3)cc2)c1 ZINC000186501696 432602007 /nfs/dbraw/zinc/60/20/07/432602007.db2.gz HAZMRTISLKSVQX-UHFFFAOYSA-N 0 0 315.369 3.181 20 10 DGCDRN C[N@@H+](Cc1ccccc1O)C[C@H](O)c1ccc(F)cc1Cl ZINC000187246068 432654745 /nfs/dbraw/zinc/65/47/45/432654745.db2.gz AGHQOGBFKGJNPP-INIZCTEOSA-N 0 0 309.768 3.350 20 10 DGCDRN CC(C)(CCCO)C[NH2+]Cc1cc(Br)ccc1O ZINC000221388318 432667691 /nfs/dbraw/zinc/66/76/91/432667691.db2.gz UPUUHWSSCIKOPY-UHFFFAOYSA-N 0 0 316.239 3.043 20 10 DGCDRN COCCC1(C(=O)NCc2ccc(N3CCCC3)cc2)CCC1 ZINC000177886672 432670187 /nfs/dbraw/zinc/67/01/87/432670187.db2.gz YAXQWFOPEVBVNS-UHFFFAOYSA-N 0 0 316.445 3.110 20 10 DGCDRN CC[C@@H](C)CC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000189147500 432766498 /nfs/dbraw/zinc/76/64/98/432766498.db2.gz CTVDHAPBEVSIKE-OAHLLOKOSA-N 0 0 304.434 3.170 20 10 DGCDRN CC1(C)C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@H]1O ZINC000276108545 432773527 /nfs/dbraw/zinc/77/35/27/432773527.db2.gz ZUELAGZGJPWHMH-GFCCVEGCSA-N 0 0 304.217 3.292 20 10 DGCDRN O=C(C1=CCCCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000276137747 432776397 /nfs/dbraw/zinc/77/63/97/432776397.db2.gz CUDJQKHKCBVOTL-KRWDZBQOSA-N 0 0 315.413 3.400 20 10 DGCDRN CN(C)c1cccc([C@H]2CCCN2C(=O)Cc2ccc(N)cc2)c1 ZINC000237155122 432779538 /nfs/dbraw/zinc/77/95/38/432779538.db2.gz SNMXILDLPLHCCF-LJQANCHMSA-N 0 0 323.440 3.241 20 10 DGCDRN CC(C)(C)[C@@H](CCO)[NH2+]Cc1cc(Br)ccc1O ZINC000231073524 432730247 /nfs/dbraw/zinc/73/02/47/432730247.db2.gz NROSWCDIFPEMAU-CYBMUJFWSA-N 0 0 316.239 3.041 20 10 DGCDRN C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1[O-] ZINC000276858224 432826600 /nfs/dbraw/zinc/82/66/00/432826600.db2.gz CFIHLWBCGZELHX-SNVBAGLBSA-N 0 0 322.311 3.472 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)NC2CC(F)(F)C2)C2CC2)cc1 ZINC000277129023 432830498 /nfs/dbraw/zinc/83/04/98/432830498.db2.gz SDFSRHAISMMNOO-UHFFFAOYSA-N 0 0 323.387 3.224 20 10 DGCDRN O=C(NCc1cccc(Br)c1O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000277565782 432861560 /nfs/dbraw/zinc/86/15/60/432861560.db2.gz PYIPVPBYCKDEPG-PJXYFTJBSA-N 0 0 324.218 3.207 20 10 DGCDRN CCC(C)(C)C(=O)NCc1cccc(Br)c1O ZINC000277599937 432862767 /nfs/dbraw/zinc/86/27/67/432862767.db2.gz UCVDWNOKWBQTTL-UHFFFAOYSA-N 0 0 300.196 3.207 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)Cc2ccc(O)cc2)C2CC2)cc1 ZINC000268411866 432869165 /nfs/dbraw/zinc/86/91/65/432869165.db2.gz MIUSPSWZUCBBPT-UHFFFAOYSA-N 0 0 324.424 3.192 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1nc(C2CCC2)cs1 ZINC000277912972 432878490 /nfs/dbraw/zinc/87/84/90/432878490.db2.gz GYTXPGKSLJDBII-FNORWQNLSA-N 0 0 316.382 3.474 20 10 DGCDRN C[C@H](c1ccc(F)cc1[O-])[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000296587635 432922931 /nfs/dbraw/zinc/92/29/31/432922931.db2.gz UTSHJXTWWGWKMO-OLZOCXBDSA-N 0 0 322.424 3.206 20 10 DGCDRN CCCn1ncnc1CSc1ncc(-c2ccccc2)n1C ZINC000279122753 432937190 /nfs/dbraw/zinc/93/71/90/432937190.db2.gz UQRDBGKNPJUSHT-UHFFFAOYSA-N 0 0 313.430 3.381 20 10 DGCDRN Cc1nnc(CC[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])s1 ZINC000289679712 432971058 /nfs/dbraw/zinc/97/10/58/432971058.db2.gz CKETWXMFUARPFY-UHFFFAOYSA-N 0 0 318.229 3.191 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNc1cc(C(=O)N(C)C)ccn1 ZINC000279910217 432997906 /nfs/dbraw/zinc/99/79/06/432997906.db2.gz VJHNYYAGOVCNGP-UHFFFAOYSA-N 0 0 322.412 3.196 20 10 DGCDRN CCOCc1nc([C@@H](C)N[C@@H](CC)c2ccccc2O)no1 ZINC000290140799 432999657 /nfs/dbraw/zinc/99/96/57/432999657.db2.gz KQIUWMQZFADWPY-YPMHNXCESA-N 0 0 305.378 3.114 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H](O)c1cccc(OC)c1)c1ccc(C)cc1O ZINC000280126261 433004086 /nfs/dbraw/zinc/00/40/86/433004086.db2.gz ORETTXZTZBXNQP-IEBWSBKVSA-N 0 0 315.413 3.484 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1CCc2cccnc21 ZINC000425278546 433144348 /nfs/dbraw/zinc/14/43/48/433144348.db2.gz GNUPUMXLGYNVHL-INIZCTEOSA-N 0 0 319.408 3.228 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000373320579 433149756 /nfs/dbraw/zinc/14/97/56/433149756.db2.gz DPRYDRQSRCIPOE-NXEZZACHSA-N 0 0 323.801 3.233 20 10 DGCDRN COc1ccc(N2CCC(N[C@H](C)C(F)(F)F)CC2)cc1 ZINC000373785564 433162718 /nfs/dbraw/zinc/16/27/18/433162718.db2.gz FOWULCJAUSJDAZ-LLVKDONJSA-N 0 0 302.340 3.204 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000281144227 433266441 /nfs/dbraw/zinc/26/64/41/433266441.db2.gz ORYAGSFWMGDQNP-UWVGGRQHSA-N 0 0 300.305 3.386 20 10 DGCDRN C[C@@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccc(F)cc1[O-] ZINC000281434509 433303264 /nfs/dbraw/zinc/30/32/64/433303264.db2.gz CIEPMENKFPMXEX-LLVKDONJSA-N 0 0 321.421 3.307 20 10 DGCDRN C[C@H]1C(=O)CC[C@@H](C(=O)NCc2ccc(N(C)C)cc2)C1(C)C ZINC000275565350 290291467 /nfs/dbraw/zinc/29/14/67/290291467.db2.gz WUTSIRSRIGDCHL-BBRMVZONSA-N 0 0 316.445 3.010 20 10 DGCDRN C[C@@H](Nc1ncc(Cl)cn1)c1ccc(N2CCOCC2)cc1 ZINC000301493901 433579755 /nfs/dbraw/zinc/57/97/55/433579755.db2.gz RGUJYEUAXMKMBL-GFCCVEGCSA-N 0 0 318.808 3.140 20 10 DGCDRN CCCN(Cc1nnc(C(C)(C)C)[nH]1)Cc1ccccc1O ZINC000292600465 433582241 /nfs/dbraw/zinc/58/22/41/433582241.db2.gz LEOJKDQBVZZHDQ-UHFFFAOYSA-N 0 0 302.422 3.220 20 10 DGCDRN COCCCn1nccc1CN(C)c1ccc(OC(C)C)cc1 ZINC000282798369 433631424 /nfs/dbraw/zinc/63/14/24/433631424.db2.gz MWIKOZZVKGIBEO-UHFFFAOYSA-N 0 0 317.433 3.343 20 10 DGCDRN Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2cccc(Cl)c2[O-])c1 ZINC000282978238 433643913 /nfs/dbraw/zinc/64/39/13/433643913.db2.gz JBCDKNDBTDIGPT-INIZCTEOSA-N 0 0 305.805 3.486 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1ccccn1 ZINC000282532743 433615622 /nfs/dbraw/zinc/61/56/22/433615622.db2.gz HJWJDNAVQUJECU-UHFFFAOYSA-N 0 0 313.401 3.299 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccnc(F)c1 ZINC000282614426 433618229 /nfs/dbraw/zinc/61/82/29/433618229.db2.gz ZHFLEPWZFZYAGY-UHFFFAOYSA-N 0 0 302.349 3.369 20 10 DGCDRN Cc1nc(NCc2ccc(N3CC=CC3)cc2)ccc1[N+](=O)[O-] ZINC000301676263 433669465 /nfs/dbraw/zinc/66/94/65/433669465.db2.gz SMPRBNMDOPMRJI-UHFFFAOYSA-N 0 0 310.357 3.287 20 10 DGCDRN CN(C)c1ccc(CNc2cc(NCC3CC3)ncn2)cc1F ZINC000301834642 433749707 /nfs/dbraw/zinc/74/97/07/433749707.db2.gz SXFLQSSOWGITNF-UHFFFAOYSA-N 0 0 315.396 3.116 20 10 DGCDRN COc1cc(N(C)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000301867553 433767431 /nfs/dbraw/zinc/76/74/31/433767431.db2.gz BXJVGJLBYRIDJG-UHFFFAOYSA-N 0 0 302.330 3.248 20 10 DGCDRN O=[N+]([O-])c1ccsc1NCc1ccc(N2CCOCC2)cc1 ZINC000301941098 433804205 /nfs/dbraw/zinc/80/42/05/433804205.db2.gz VNGUJPGXDGFLBI-UHFFFAOYSA-N 0 0 319.386 3.105 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ccc(C(F)(F)F)nn1 ZINC000301955490 433808699 /nfs/dbraw/zinc/80/86/99/433808699.db2.gz FAJDTQWFVLBAAD-UHFFFAOYSA-N 0 0 310.323 3.482 20 10 DGCDRN COc1ccc(N2CCC(Nc3cccc(CO)c3)CC2)cc1 ZINC000376999372 433845344 /nfs/dbraw/zinc/84/53/44/433845344.db2.gz GTQOSEBAUKMKFX-UHFFFAOYSA-N 0 0 312.413 3.268 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccc([C@@H]3CCOC3)cc2)c(O)c1O ZINC000294025616 433968344 /nfs/dbraw/zinc/96/83/44/433968344.db2.gz FKVALASUQGQJBV-CYBMUJFWSA-N 0 0 313.353 3.162 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CC2(CCC2)[C@H]1c1ccccc1 ZINC000294199733 434036479 /nfs/dbraw/zinc/03/64/79/434036479.db2.gz ORMRNJQYNKBCOQ-QGZVFWFLSA-N 0 0 309.365 3.465 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H](c1ccccc1)C1CC1 ZINC000294405345 434110527 /nfs/dbraw/zinc/11/05/27/434110527.db2.gz FCTYYTASVCOVGE-ZBZNSMLMSA-N 0 0 323.392 3.421 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)c3ccsn3)cc2)CC1 ZINC000294493253 434114346 /nfs/dbraw/zinc/11/43/46/434114346.db2.gz FAQOKGBDPGJZNG-UHFFFAOYSA-N 0 0 315.442 3.309 20 10 DGCDRN Cn1ccnc1[C@@H]1N(Cc2c(O)cccc2Cl)CC1(C)C ZINC000294700754 434128028 /nfs/dbraw/zinc/12/80/28/434128028.db2.gz CZQGWBPRVHVOLN-AWEZNQCLSA-N 0 0 305.809 3.362 20 10 DGCDRN C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1c(F)ccc(O)c1O ZINC000294762127 434137422 /nfs/dbraw/zinc/13/74/22/434137422.db2.gz BHIZUIDIHLIGQF-AAEUAGOBSA-N 0 0 315.344 3.255 20 10 DGCDRN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H](CO)c1ccccc1 ZINC000295039710 434163911 /nfs/dbraw/zinc/16/39/11/434163911.db2.gz MMJJHQAVQWOFRR-HNNXBMFYSA-N 0 0 309.768 3.350 20 10 DGCDRN CC[C@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc(F)cc1[O-] ZINC000286202109 434195568 /nfs/dbraw/zinc/19/55/68/434195568.db2.gz RISPEJPHNSBQIE-HNNXBMFYSA-N 0 0 303.381 3.233 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc(F)cc1[O-] ZINC000286202112 434196218 /nfs/dbraw/zinc/19/62/18/434196218.db2.gz RISPEJPHNSBQIE-OAHLLOKOSA-N 0 0 303.381 3.233 20 10 DGCDRN CC[C@@H]([NH2+]CCC1(O)CCOCC1)c1cccc(Cl)c1[O-] ZINC000287108522 434305410 /nfs/dbraw/zinc/30/54/10/434305410.db2.gz QKNYQRHMDUTZQP-CQSZACIVSA-N 0 0 313.825 3.018 20 10 DGCDRN CC[C@@H]([NH2+]CC1CCN(C(C)=O)CC1)c1cccc(Cl)c1[O-] ZINC000287568801 434397321 /nfs/dbraw/zinc/39/73/21/434397321.db2.gz GPHXIGGTZXJVOZ-MRXNPFEDSA-N 0 0 324.852 3.345 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)CC(F)(F)F ZINC000410412897 434645716 /nfs/dbraw/zinc/64/57/16/434645716.db2.gz GAGMKLIDUORXFL-UHFFFAOYSA-N 0 0 313.323 3.190 20 10 DGCDRN CCOc1cccc(CN2CCOC[C@@H]2c2ccccc2)c1O ZINC000372403829 434820234 /nfs/dbraw/zinc/82/02/34/434820234.db2.gz HKZIRHIURMQKHV-QGZVFWFLSA-N 0 0 313.397 3.364 20 10 DGCDRN Cc1cc(N(C)C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])ccn1 ZINC000492618320 435023805 /nfs/dbraw/zinc/02/38/05/435023805.db2.gz YLYIWZVAPJUFRB-XQRVVYSFSA-N 0 0 315.304 3.114 20 10 DGCDRN Cc1ccncc1N(C)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000492622125 435024522 /nfs/dbraw/zinc/02/45/22/435024522.db2.gz WWGRGRDEKJAWNL-GQCTYLIASA-N 0 0 315.304 3.114 20 10 DGCDRN O=C(C=Cc1cncc(F)c1)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000492647046 435030332 /nfs/dbraw/zinc/03/03/32/435030332.db2.gz XAVUPNLKJOZRNV-IRBQFCFKSA-N 0 0 322.339 3.341 20 10 DGCDRN Cc1ccncc1/C=C\C(=O)N1C[C@H]2CCCN2c2ccccc21 ZINC000492524840 435002998 /nfs/dbraw/zinc/00/29/98/435002998.db2.gz ABNSZEAEKYGMME-XZVRFQMRSA-N 0 0 319.408 3.419 20 10 DGCDRN Cc1ccc(/C=C/C(=O)N(C[C@@H]2CCCO2)c2ccncc2)cn1 ZINC000492551627 435010468 /nfs/dbraw/zinc/01/04/68/435010468.db2.gz ULXXKDPSEVRYIQ-DKFQHHCZSA-N 0 0 323.396 3.010 20 10 DGCDRN Cc1ncsc1/C=C\C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000492716606 435040323 /nfs/dbraw/zinc/04/03/23/435040323.db2.gz NXNFKDKIRAKAGP-FPLPWBNLSA-N 0 0 303.343 3.036 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCC12CC(C1)CO2 ZINC000529875166 435041667 /nfs/dbraw/zinc/04/16/67/435041667.db2.gz KJDLVWXWCOHPEP-UHFFFAOYSA-N 0 0 316.426 3.064 20 10 DGCDRN CN(C(=O)/C=C/c1ccc(Cl)nc1)c1cnc2ccccc2n1 ZINC000493294858 435143172 /nfs/dbraw/zinc/14/31/72/435143172.db2.gz OEHZHQOPZASVNH-VQHVLOKHSA-N 0 0 324.771 3.354 20 10 DGCDRN CN(C(=O)/C=C/c1ccn(C)c1)c1ccc(-c2ccccc2)nn1 ZINC000493466484 435177751 /nfs/dbraw/zinc/17/77/51/435177751.db2.gz RWPQFWIAFMGBNZ-DHZHZOJOSA-N 0 0 318.380 3.158 20 10 DGCDRN O=C(/C=C/c1cncc(F)c1)N1CCc2cc(F)c(F)cc21 ZINC000491521679 435766730 /nfs/dbraw/zinc/76/67/30/435766730.db2.gz XFFWYWNWWDQKOA-OWOJBTEDSA-N 0 0 304.271 3.101 20 10 DGCDRN Cc1cncc(/C=C\C(=O)N(CC(F)(F)F)c2ccccn2)c1 ZINC000255492822 331755976 /nfs/dbraw/zinc/75/59/76/331755976.db2.gz HCCUEDOXOCPUCH-WAYWQWQTSA-N 0 0 321.302 3.394 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)[C@@H]1CCCCO1 ZINC000272044852 334029956 /nfs/dbraw/zinc/02/99/56/334029956.db2.gz CWXXTTLTYACMAT-PBHICJAKSA-N 0 0 320.433 3.271 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)[C@H]1CCCCO1 ZINC000272044855 334030091 /nfs/dbraw/zinc/03/00/91/334030091.db2.gz CWXXTTLTYACMAT-RHSMWYFYSA-N 0 0 320.433 3.271 20 10 DGCDRN Cc1cc([N+](=O)[O-])cnc1NCc1ccc(N(C)C)c(F)c1 ZINC000301164145 336292732 /nfs/dbraw/zinc/29/27/32/336292732.db2.gz BOQUEMBPQDGFBO-UHFFFAOYSA-N 0 0 304.325 3.115 20 10 DGCDRN COc1cc(N(C)C[C@H]2CC=CCC2)c([N+](=O)[O-])cc1OC ZINC000302194699 336353317 /nfs/dbraw/zinc/35/33/17/336353317.db2.gz WWSHEVXRNCJZHX-LBPRGKRZSA-N 0 0 306.362 3.405 20 10 DGCDRN Cc1cnc(C)c(NCc2ccc(N3CCSCC3)cc2)n1 ZINC000302204872 336353765 /nfs/dbraw/zinc/35/37/65/336353765.db2.gz CTIKWRDDGYGZDW-UHFFFAOYSA-N 0 0 314.458 3.259 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)NCC1CC=CC1 ZINC000528148666 337790159 /nfs/dbraw/zinc/79/01/59/337790159.db2.gz XEPWKDOORLNWAE-UHFFFAOYSA-N 0 0 300.402 3.036 20 10 DGCDRN Cc1ccc(/C=C\C(=O)N2C[C@@H]3CCCN3c3ccccc32)cn1 ZINC000492430065 339900526 /nfs/dbraw/zinc/90/05/26/339900526.db2.gz SSXBKYYVJFHPNU-MQNTZWLQSA-N 0 0 319.408 3.419 20 10 DGCDRN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(C2=S=CC=C2)o1 ZINC000543046313 341029351 /nfs/dbraw/zinc/02/93/51/341029351.db2.gz LKOKSPZKWPJEJY-UHFFFAOYSA-N 0 0 314.322 3.066 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)C[C@@H]2CCOC2)cc1 ZINC000177309029 533718548 /nfs/dbraw/zinc/71/85/48/533718548.db2.gz IOHFGFZGUQDMTC-INIZCTEOSA-N 0 0 312.413 3.203 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)c1ccon1 ZINC000349877724 533970799 /nfs/dbraw/zinc/97/07/99/533970799.db2.gz DXGGYZREJCCKOQ-GFCCVEGCSA-N 0 0 312.373 3.035 20 10 DGCDRN CC(=O)c1cc(F)cc(CN(Cc2cccnc2)C2CC2)c1O ZINC000180724753 518282683 /nfs/dbraw/zinc/28/26/83/518282683.db2.gz KQBXARZPPSVRSZ-UHFFFAOYSA-N 0 0 314.360 3.294 20 10 DGCDRN CC(=O)c1cc(F)cc(CN(Cc2ccccn2)C2CC2)c1O ZINC000180855759 518283504 /nfs/dbraw/zinc/28/35/04/518283504.db2.gz DKBANCYSALHHPY-UHFFFAOYSA-N 0 0 314.360 3.294 20 10 DGCDRN CC(C)Oc1ccc(/C=C/C(=O)NCCc2ccc(N)cc2)cc1 ZINC000236701354 519778201 /nfs/dbraw/zinc/77/82/01/519778201.db2.gz UYQAZJQHHQQUHG-KPKJPENVSA-N 0 0 324.424 3.428 20 10 DGCDRN Oc1ccccc1CN1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000179568446 534457067 /nfs/dbraw/zinc/45/70/67/534457067.db2.gz UAUJEJLZFOAROT-KRWDZBQOSA-N 0 0 305.324 3.244 20 10 DGCDRN CCOCc1nnc(NCc2ccc(N(CC)CC)cc2)o1 ZINC000181851288 520227343 /nfs/dbraw/zinc/22/73/43/520227343.db2.gz XHJSKFICLUTIHB-UHFFFAOYSA-N 0 0 304.394 3.064 20 10 DGCDRN CC1(C)C[C@@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1 ZINC000160437519 520524444 /nfs/dbraw/zinc/52/44/44/520524444.db2.gz FHAQSORNMXKDOF-NSHDSACASA-N 0 0 314.769 3.001 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2csnc2C)cc1 ZINC000181805571 520906327 /nfs/dbraw/zinc/90/63/27/520906327.db2.gz HQNBHYGMOKLKBE-UHFFFAOYSA-N 0 0 303.431 3.228 20 10 DGCDRN CCN(CC)c1ccc(CNc2ccc(C(N)=O)cc2)cc1F ZINC000127843115 520910951 /nfs/dbraw/zinc/91/09/51/520910951.db2.gz GTXOHRPULSGWPU-UHFFFAOYSA-N 0 0 315.392 3.383 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)CCCn1cccc1 ZINC000156337580 521688114 /nfs/dbraw/zinc/68/81/14/521688114.db2.gz JXTLKRJPFHBJSJ-UHFFFAOYSA-N 0 0 300.402 3.413 20 10 DGCDRN CCCN(Cc1ncnn1CC(C)C)Cc1ccccc1O ZINC000182817217 521695052 /nfs/dbraw/zinc/69/50/52/521695052.db2.gz PSKILLVCCJTONV-UHFFFAOYSA-N 0 0 302.422 3.052 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCCc3c(O)cccc32)cc1 ZINC000190021199 522202962 /nfs/dbraw/zinc/20/29/62/522202962.db2.gz UVMAHRPWXQAXBG-SFHVURJKSA-N 0 0 324.424 3.195 20 10 DGCDRN CN(C)c1ccc(CNc2nnc(C(F)(F)F)s2)cc1F ZINC000121590570 522213947 /nfs/dbraw/zinc/21/39/47/522213947.db2.gz CYFLKWIPULDJQU-UHFFFAOYSA-N 0 0 320.315 3.374 20 10 DGCDRN CN(CC(C)(C)C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000265952000 522539342 /nfs/dbraw/zinc/53/93/42/522539342.db2.gz UPALCQDUCCBTIJ-UHFFFAOYSA-N 0 0 301.434 3.250 20 10 DGCDRN COC(=O)C1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000159208601 522917524 /nfs/dbraw/zinc/91/75/24/522917524.db2.gz DWLTWCRUCVCKLL-UHFFFAOYSA-N 0 0 318.200 3.084 20 10 DGCDRN COCCC1(C(=O)NCc2c(O)ccc3c2CCCC3)CCC1 ZINC000133614838 523010405 /nfs/dbraw/zinc/01/04/05/523010405.db2.gz WLJNJRJPMURPBL-UHFFFAOYSA-N 0 0 317.429 3.094 20 10 DGCDRN CC[C@H]1CCCC[C@H]1OCC(=O)NCc1cccc(OC)c1O ZINC000184714790 523066302 /nfs/dbraw/zinc/06/63/02/523066302.db2.gz URWJUNXSLMVQPC-DZGCQCFKSA-N 0 0 321.417 3.002 20 10 DGCDRN COCCCCC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000267539779 523103806 /nfs/dbraw/zinc/10/38/06/523103806.db2.gz ASTQCKOPKJTJQQ-UHFFFAOYSA-N 0 0 324.384 3.152 20 10 DGCDRN COCCCOCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000181520315 523404619 /nfs/dbraw/zinc/40/46/19/523404619.db2.gz IRRUVYFWHPKKNG-UHFFFAOYSA-N 0 0 322.232 3.184 20 10 DGCDRN CCn1nc(NC(=O)N(C)Cc2ccccc2O)cc1C1CC1 ZINC000267676055 523681555 /nfs/dbraw/zinc/68/15/55/523681555.db2.gz PMCMDOJAZXINPE-UHFFFAOYSA-N 0 0 314.389 3.150 20 10 DGCDRN CO[C@H]1CCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000267964478 523993662 /nfs/dbraw/zinc/99/36/62/523993662.db2.gz NYFQBKFOYJBZDB-INIZCTEOSA-N 0 0 316.376 3.094 20 10 DGCDRN COCCOc1ccc(NCc2cccc(Cl)c2O)cn1 ZINC000158139720 524050282 /nfs/dbraw/zinc/05/02/82/524050282.db2.gz XOKCZQOZAJQZEH-UHFFFAOYSA-N 0 0 308.765 3.078 20 10 DGCDRN Cc1cc(C(=O)NCCc2ccon2)c(C)n1-c1cccc(C)c1 ZINC000270382578 524085964 /nfs/dbraw/zinc/08/59/64/524085964.db2.gz VWSSDHUDRQHLGN-UHFFFAOYSA-N 0 0 323.396 3.363 20 10 DGCDRN C[C@H](CC1CCCCC1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000122181534 524110064 /nfs/dbraw/zinc/11/00/64/524110064.db2.gz GZKBEQXGDIEUJW-CYBMUJFWSA-N 0 0 305.418 3.363 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)CCCO)c(C)n1-c1ccc(F)cc1 ZINC000155895050 524140018 /nfs/dbraw/zinc/14/00/18/524140018.db2.gz LVMLRNWGLPYDHQ-GFCCVEGCSA-N 0 0 318.392 3.124 20 10 DGCDRN COc1cccc([C@H](C)CC(=O)NCCc2ccc(N)cc2)c1 ZINC000237323791 524146000 /nfs/dbraw/zinc/14/60/00/524146000.db2.gz DOCNQGSBHSPHPG-CQSZACIVSA-N 0 0 312.413 3.130 20 10 DGCDRN Cc1ccc(C)c(SCC(=O)NCCc2ccc(N)cc2)c1 ZINC000237659100 524200115 /nfs/dbraw/zinc/20/01/15/524200115.db2.gz JNBQNJOIHZZBJO-UHFFFAOYSA-N 0 0 314.454 3.337 20 10 DGCDRN C[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1cccc(F)c1 ZINC000183452754 524221346 /nfs/dbraw/zinc/22/13/46/524221346.db2.gz DOKRJZCVCKJPQA-NWDGAFQWSA-N 0 0 317.360 3.088 20 10 DGCDRN COc1ccc(N(C)Cc2ncnn2CC(C)C)cc1Cl ZINC000182844405 524356200 /nfs/dbraw/zinc/35/62/00/524356200.db2.gz AFWUNDYXOATNHN-UHFFFAOYSA-N 0 0 308.813 3.233 20 10 DGCDRN Cc1cccc(C[C@H](CO)[NH2+][C@H](C)c2ccc(F)cc2[O-])c1 ZINC000191612144 524470132 /nfs/dbraw/zinc/47/01/32/524470132.db2.gz QGXZKQDQEJJSGE-CZUORRHYSA-N 0 0 303.377 3.094 20 10 DGCDRN COc1ccc([C@@H](NC(=O)Cc2ccc(N)cc2)C(C)C)cc1 ZINC000237218104 525195187 /nfs/dbraw/zinc/19/51/87/525195187.db2.gz QSPPTFGYVADLGA-IBGZPJMESA-N 0 0 312.413 3.333 20 10 DGCDRN COc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])cc1 ZINC000191194173 525377572 /nfs/dbraw/zinc/37/75/72/525377572.db2.gz AHRQGJOESOYABK-ZUZCIYMTSA-N 0 0 323.339 3.063 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1ccc(F)cc1[O-] ZINC000184984118 525526924 /nfs/dbraw/zinc/52/69/24/525526924.db2.gz PRNGECOXAYHRCP-CYBMUJFWSA-N 0 0 315.392 3.377 20 10 DGCDRN Oc1ccc(F)cc1CN1CCO[C@@H](c2ccccc2F)C1 ZINC000180060039 526349479 /nfs/dbraw/zinc/34/94/79/526349479.db2.gz MRNMQIXUUZCBKZ-QGZVFWFLSA-N 0 0 305.324 3.244 20 10 DGCDRN Cc1csc([C@H]2COCCN2Cc2cc(C)c(C)cc2O)n1 ZINC000190411963 526447106 /nfs/dbraw/zinc/44/71/06/526447106.db2.gz YSEFQQJIBIRVNB-OAHLLOKOSA-N 0 0 318.442 3.347 20 10 DGCDRN c1cc2nccc(NCc3ccc(N4CCOCC4)cc3)c2cn1 ZINC000267220187 526451136 /nfs/dbraw/zinc/45/11/36/526451136.db2.gz NRBOARUSGNUSAW-UHFFFAOYSA-N 0 0 320.396 3.079 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc(F)cn1 ZINC000122457424 526637141 /nfs/dbraw/zinc/63/71/41/526637141.db2.gz WSRARRVXMMGSTJ-UHFFFAOYSA-N 0 0 315.348 3.127 20 10 DGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)C1=CCCCCC1 ZINC000129517445 526681869 /nfs/dbraw/zinc/68/18/69/526681869.db2.gz WQZGSEQQTOZAGF-UHFFFAOYSA-N 0 0 314.429 3.030 20 10 DGCDRN Cc1nc(CC(C)C)c(C(=O)NCCc2ccc(N)cc2)s1 ZINC000152590972 526796426 /nfs/dbraw/zinc/79/64/26/526796426.db2.gz MNNJHGXSOLKKQA-UHFFFAOYSA-N 0 0 317.458 3.205 20 10 DGCDRN O=C(c1ccsc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000264646954 526861558 /nfs/dbraw/zinc/86/15/58/526861558.db2.gz GBPPYDCJFFRKJQ-OAHLLOKOSA-N 0 0 317.410 3.275 20 10 DGCDRN Clc1cnccc1NCc1ccc(N2CCOCC2)cc1 ZINC000267284519 527000161 /nfs/dbraw/zinc/00/01/61/527000161.db2.gz PRWDZQHBHJDKMO-UHFFFAOYSA-N 0 0 303.793 3.184 20 10 DGCDRN Nc1ccc(CCNC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000237942755 527480842 /nfs/dbraw/zinc/48/08/42/527480842.db2.gz CSVZTGLUKFOHLP-LSDHHAIUSA-N 0 0 316.351 3.009 20 10 DGCDRN Nc1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000238026406 527494806 /nfs/dbraw/zinc/49/48/06/527494806.db2.gz TZXIBOOKUAIJQS-KRWDZBQOSA-N 0 0 312.369 3.079 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCC[C@H]1CCO ZINC000189932925 527563129 /nfs/dbraw/zinc/56/31/29/527563129.db2.gz SHGIKIZEQRPOHV-ZANVPECISA-N 0 0 304.217 3.340 20 10 DGCDRN CC(C)Oc1ccccc1CNC(=O)NCc1ccccc1O ZINC000299482762 528253811 /nfs/dbraw/zinc/25/38/11/528253811.db2.gz HJZXIGUBYKAGMT-UHFFFAOYSA-N 0 0 314.385 3.179 20 10 DGCDRN CCN(C[C@H](O)c1ccc(F)cc1)c1ccc(OC)c(OC)c1 ZINC000299274354 528742401 /nfs/dbraw/zinc/74/24/01/528742401.db2.gz LHEQAOUXBRPTLS-INIZCTEOSA-N 0 0 319.376 3.403 20 10 DGCDRN CCOc1cccnc1C(=O)NCc1c(C)c2ccccc2n1C ZINC000348696853 528763733 /nfs/dbraw/zinc/76/37/33/528763733.db2.gz FZTIFHUIXOYWHI-UHFFFAOYSA-N 0 0 323.396 3.210 20 10 DGCDRN CCN(C(=O)/C=C/c1cnn(C)c1C)c1ccccc1Cl ZINC000270369758 528907847 /nfs/dbraw/zinc/90/78/47/528907847.db2.gz SXGUVUPWYSLPQD-MDZDMXLPSA-N 0 0 303.793 3.448 20 10 DGCDRN CC[C@H](C)[C@@H](C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000183257163 529199050 /nfs/dbraw/zinc/19/90/50/529199050.db2.gz SRGIHZBUSMVFPD-JKSUJKDBSA-N 0 0 318.461 3.416 20 10 DGCDRN CC(C)N(Cc1noc(C2CC2)n1)Cc1ccc(N(C)C)cc1 ZINC000299128017 535123040 /nfs/dbraw/zinc/12/30/40/535123040.db2.gz YHKGMQUCIJTIFY-UHFFFAOYSA-N 0 0 314.433 3.424 20 10 DGCDRN CC(C)COc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000272301866 535216410 /nfs/dbraw/zinc/21/64/10/535216410.db2.gz IWWNVIRLPFNQSB-UHFFFAOYSA-N 0 0 315.369 3.063 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Cc1c(C)noc1C ZINC000282390889 535260055 /nfs/dbraw/zinc/26/00/55/535260055.db2.gz DNTPXFTVSNGAHD-UHFFFAOYSA-N 0 0 316.401 3.368 20 10 DGCDRN CCN(Cc1nc(C(C)C)no1)c1ccc(OC)c(OC)c1 ZINC000299251385 535390031 /nfs/dbraw/zinc/39/00/31/535390031.db2.gz BMNMGMPPMGIWRM-UHFFFAOYSA-N 0 0 305.378 3.237 20 10 DGCDRN CC[C@@H](C)NC(=O)CC[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000287687580 535572937 /nfs/dbraw/zinc/57/29/37/535572937.db2.gz MYPZPNFQZKPCAP-BXUZGUMPSA-N 0 0 312.841 3.391 20 10 DGCDRN CCOC(=O)N1CCC([NH2+][C@H](CC)c2ccc(F)cc2[O-])CC1 ZINC000285820304 535770484 /nfs/dbraw/zinc/77/04/84/535770484.db2.gz WHPYLQAWDJJBJP-OAHLLOKOSA-N 0 0 324.396 3.193 20 10 DGCDRN CC[C@@H](NC(=O)NCc1c(C)c2ccccc2n1C)C(F)F ZINC000454878475 535794818 /nfs/dbraw/zinc/79/48/18/535794818.db2.gz STBJWVQSFURSQW-GFCCVEGCSA-N 0 0 309.360 3.330 20 10 DGCDRN CCn1cc(-c2n[nH]cc2C(=O)N(C)c2cc(C)cc(C)c2)cn1 ZINC000495128729 536012040 /nfs/dbraw/zinc/01/20/40/536012040.db2.gz NUBUXUWMYDXFBE-UHFFFAOYSA-N 0 0 323.400 3.187 20 10 DGCDRN COc1ccc(Cl)cc1N(C)C(=O)/C=C\c1cncs1 ZINC000493703152 536566488 /nfs/dbraw/zinc/56/64/88/536566488.db2.gz DQKZETFCGVPEHU-XQRVVYSFSA-N 0 0 308.790 3.481 20 10 DGCDRN COc1cc(C)ccc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273588436 536652842 /nfs/dbraw/zinc/65/28/42/536652842.db2.gz OMPZDZOYLFHYMB-LBPRGKRZSA-N 0 0 316.357 3.468 20 10 DGCDRN Clc1cncnc1N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000344985041 546573004 /nfs/dbraw/zinc/57/30/04/546573004.db2.gz KLYBKZNYKZXEAB-UHFFFAOYSA-N 0 0 311.776 3.300 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNc1ccc(-n2cncn2)cn1 ZINC000672812024 547915372 /nfs/dbraw/zinc/91/53/72/547915372.db2.gz RAXQNHLEXSMMHS-UHFFFAOYSA-N 0 0 318.384 3.075 20 10 DGCDRN CCCCO[C@H](C)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000731345542 574547570 /nfs/dbraw/zinc/54/75/70/574547570.db2.gz ARGFGBKXNGRBSU-CQSZACIVSA-N 0 0 324.440 3.493 20 10 DGCDRN O=C(NC[C@@H](c1cccs1)N1CCCC1)C1=CC(=O)CS1 ZINC000731866423 574560321 /nfs/dbraw/zinc/56/03/21/574560321.db2.gz NFBZSGUSCJZPMA-LBPRGKRZSA-N 0 0 322.455 3.082 20 10 DGCDRN O=C(Nc1ccc(N2CCCC2)c(F)c1)C1=CC(=O)CS1 ZINC000731870671 574560701 /nfs/dbraw/zinc/56/07/01/574560701.db2.gz MKDOEBRCEPWENB-UHFFFAOYSA-N 0 0 306.362 3.445 20 10 DGCDRN COc1cccc([C@@H]2CCCN2C(=O)C2=CC(=O)CS2)c1 ZINC000731867547 574561115 /nfs/dbraw/zinc/56/11/15/574561115.db2.gz WSZYJDNBWMEWJM-AWEZNQCLSA-N 0 0 303.383 3.440 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCC(OCc2ccccc2)CC1 ZINC000731868916 574561498 /nfs/dbraw/zinc/56/14/98/574561498.db2.gz DRAXVEGDKYTFOP-UHFFFAOYSA-N 0 0 317.410 3.275 20 10 DGCDRN Cc1ccc(NC(=O)[C@@H](C)OC(=O)C2=CC(=O)CS2)c(C)c1 ZINC000731909651 574561968 /nfs/dbraw/zinc/56/19/68/574561968.db2.gz HTZCVCZMFJJIMP-LLVKDONJSA-N 0 0 319.382 3.255 20 10 DGCDRN O=C(NCc1ccccc1Br)C1=CC(=O)CS1 ZINC000732267475 574569514 /nfs/dbraw/zinc/56/95/14/574569514.db2.gz GOVMLKXHVXERDC-UHFFFAOYSA-N 0 0 312.188 3.146 20 10 DGCDRN Cc1cc(C)cc(NC(=O)[C@H](C)OC(=O)C2=CC(=O)CS2)c1 ZINC000732354765 574572312 /nfs/dbraw/zinc/57/23/12/574572312.db2.gz YUDHXQXERMCQKM-NSHDSACASA-N 0 0 319.382 3.255 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C\C1CCOCC1 ZINC000732655831 574578130 /nfs/dbraw/zinc/57/81/30/574578130.db2.gz CLAQDVPUSYQZFH-YFHOEESVSA-N 0 0 316.445 3.084 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)NC[C@@H]2CC2(C)C)C2CC2)cc1 ZINC000732893085 574586970 /nfs/dbraw/zinc/58/69/70/574586970.db2.gz OMQBYPYUXJBSEP-HNNXBMFYSA-N 0 0 315.461 3.473 20 10 DGCDRN CC[C@@H](OC1CCCC1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000733100293 574597369 /nfs/dbraw/zinc/59/73/69/574597369.db2.gz TYACUPCNUDCPIK-QGZVFWFLSA-N 0 0 322.424 3.246 20 10 DGCDRN Cc1cc(CNC(=O)c2sccc2-n2c(C)ccc2C)[nH]n1 ZINC000733287273 574612476 /nfs/dbraw/zinc/61/24/76/574612476.db2.gz LPVNLKVNSMVVSF-UHFFFAOYSA-N 0 0 314.414 3.117 20 10 DGCDRN Cc1cc(CNC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)[nH]n1 ZINC000733286179 574612015 /nfs/dbraw/zinc/61/20/15/574612015.db2.gz RPVGPDWLMTXNLZ-UHFFFAOYSA-N 0 0 322.412 3.364 20 10 DGCDRN CCc1ncc(C(=O)NCCCSc2nccs2)s1 ZINC000733975195 574645421 /nfs/dbraw/zinc/64/54/21/574645421.db2.gz ZTDUBZPVFPVIAY-UHFFFAOYSA-N 0 0 313.473 3.074 20 10 DGCDRN COC1CN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1 ZINC000733968586 574646117 /nfs/dbraw/zinc/64/61/17/574646117.db2.gz UUOJJMINNHNEML-UHFFFAOYSA-N 0 0 318.804 3.218 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@@H]2CCCc3ccccc32)c1 ZINC000734016428 574648162 /nfs/dbraw/zinc/64/81/62/574648162.db2.gz QAJFKXAANIKATP-QGZVFWFLSA-N 0 0 311.381 3.137 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CCc1cccs1 ZINC000734405102 574659659 /nfs/dbraw/zinc/65/96/59/574659659.db2.gz CAASAGYXQFYRBD-UHFFFAOYSA-N 0 0 302.443 3.372 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=S)NC1CCCCC1 ZINC000734384756 574660246 /nfs/dbraw/zinc/66/02/46/574660246.db2.gz LDPKDIHYUNIQLJ-UHFFFAOYSA-N 0 0 305.491 3.358 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](C)C(C)(C)C)c1 ZINC000734533600 574667031 /nfs/dbraw/zinc/66/70/31/574667031.db2.gz JAGFGWMYHJTLFU-NWDGAFQWSA-N 0 0 308.422 3.443 20 10 DGCDRN Oc1ccccc1CNc1nc(-c2ccccn2)nc2c1CCC2 ZINC000735074629 574687173 /nfs/dbraw/zinc/68/71/73/574687173.db2.gz SMJLJADULZUCEJ-UHFFFAOYSA-N 0 0 318.380 3.345 20 10 DGCDRN CCN(CC)c1ccc(CNc2nc(C)cc(OC)n2)cc1F ZINC000735487090 574703657 /nfs/dbraw/zinc/70/36/57/574703657.db2.gz CGXYBSMIHMVPDP-UHFFFAOYSA-N 0 0 318.396 3.391 20 10 DGCDRN COC(=O)[C@@H](c1cccc(Cl)c1)N(C)Cc1ccccc1O ZINC000735494509 574704041 /nfs/dbraw/zinc/70/40/41/574704041.db2.gz ZCVLAMWPIBXJNB-MRXNPFEDSA-N 0 0 319.788 3.392 20 10 DGCDRN CC(C)(CNC(=O)NCc1ccccc1O)c1cccc(F)c1 ZINC000735754985 574714274 /nfs/dbraw/zinc/71/42/74/574714274.db2.gz KQFCGXPSGWRMPT-UHFFFAOYSA-N 0 0 316.376 3.308 20 10 DGCDRN COc1ccc(O)c(CNc2cnc3cc(F)c(F)cc3n2)c1 ZINC000736295591 574740424 /nfs/dbraw/zinc/74/04/24/574740424.db2.gz XANZKHZEZDFAEY-UHFFFAOYSA-N 0 0 317.295 3.234 20 10 DGCDRN CC(C)[N@H+](CCC(=O)[O-])Cc1cc(C(C)(C)C)cc(O)c1O ZINC000736467655 574754725 /nfs/dbraw/zinc/75/47/25/574754725.db2.gz ARJJSTFJUOIEJP-UHFFFAOYSA-N 0 0 309.406 3.080 20 10 DGCDRN Cc1cc(CN2CC[S@](=O)[C@@H](C)[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000736600167 574760175 /nfs/dbraw/zinc/76/01/75/574760175.db2.gz SEZVQOOPAOBMBB-OKHZJLECSA-N 0 0 323.502 3.339 20 10 DGCDRN CC1(C)[C@@H]2C[N@@H+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)C[C@@H]21 ZINC000736727559 574804080 /nfs/dbraw/zinc/80/40/80/574804080.db2.gz YQFCJLZOJOAVHT-IYBDPMFKSA-N 0 0 311.381 3.331 20 10 DGCDRN CC[C@@H](C)OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000738568021 574873380 /nfs/dbraw/zinc/87/33/80/574873380.db2.gz HOJULRQHMFHONX-LLVKDONJSA-N 0 0 308.333 3.417 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)Nc2c(F)cccc2F)cc1 ZINC000739923059 574915912 /nfs/dbraw/zinc/91/59/12/574915912.db2.gz DRQPDQLIARQSRW-UHFFFAOYSA-N 0 0 320.339 3.438 20 10 DGCDRN CC(C)(C)CCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000740908698 574945579 /nfs/dbraw/zinc/94/55/79/574945579.db2.gz YPSMYWQOFPAHSE-UHFFFAOYSA-N 0 0 301.434 3.298 20 10 DGCDRN Cn1cc(/C=C(\Cl)c2nc3cc(Cl)ccc3n2C)nn1 ZINC000741467184 574958848 /nfs/dbraw/zinc/95/88/48/574958848.db2.gz LBCZWIDZEWUEIR-POHAHGRESA-N 0 0 308.172 3.092 20 10 DGCDRN CCOc1ccc([C@H]2NC(=O)c3c(Cl)cccc3N2)c(O)c1 ZINC000742444438 575000600 /nfs/dbraw/zinc/00/06/00/575000600.db2.gz KTSSTUWKZCJCPR-OAHLLOKOSA-N 0 0 318.760 3.298 20 10 DGCDRN CC(C)SCC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000742475421 575002224 /nfs/dbraw/zinc/00/22/24/575002224.db2.gz MMAADAYAKWFIKH-UHFFFAOYSA-N 0 0 306.475 3.435 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)n1C ZINC000742476106 575002240 /nfs/dbraw/zinc/00/22/40/575002240.db2.gz KBOMFXZVOLVUOD-UHFFFAOYSA-N 0 0 311.429 3.254 20 10 DGCDRN Cn1cccc1CNC(=S)Nc1cccc(Br)c1 ZINC000743061320 575033646 /nfs/dbraw/zinc/03/36/46/575033646.db2.gz IDFIFNZJQIWNKR-UHFFFAOYSA-N 0 0 324.247 3.274 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C(C)(C)C)on2)c1 ZINC000743335122 575043748 /nfs/dbraw/zinc/04/37/48/575043748.db2.gz MWTSQPXNQOVOAG-SNVBAGLBSA-N 0 0 318.373 3.177 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@@H](C)c2cccc(Cl)c2)c1 ZINC000743410896 575049700 /nfs/dbraw/zinc/04/97/00/575049700.db2.gz RAWBLMLHPQAUCW-NSHDSACASA-N 0 0 319.788 3.474 20 10 DGCDRN Oc1cc2c(cc1CN1CCOC[C@H]1c1ccccc1)CCC2 ZINC000743403717 575049773 /nfs/dbraw/zinc/04/97/73/575049773.db2.gz XGPCVQXXSGLNOZ-IBGZPJMESA-N 0 0 309.409 3.454 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NCCC2CC2)cc1F ZINC000743597593 575058189 /nfs/dbraw/zinc/05/81/89/575058189.db2.gz DZIMBVBHLWWYNU-UHFFFAOYSA-N 0 0 307.413 3.271 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H](COC)C(C)C)cc1 ZINC000743636401 575059711 /nfs/dbraw/zinc/05/97/11/575059711.db2.gz FGUMTAFCHOUWTN-KRWDZBQOSA-N 0 0 321.465 3.003 20 10 DGCDRN Cc1ccccc1[C@H]1CN(C(=O)C2=CC(=O)CS2)[C@H](C)CO1 ZINC000743710841 575061887 /nfs/dbraw/zinc/06/18/87/575061887.db2.gz WKRCMZVWOROPEC-IUODEOHRSA-N 0 0 317.410 3.364 20 10 DGCDRN C[C@@H](CC(=O)NCc1c(O)ccc2c1CCCC2)c1cccnc1 ZINC000743718414 575062083 /nfs/dbraw/zinc/06/20/83/575062083.db2.gz OKSGGYFNWPYQSQ-AWEZNQCLSA-N 0 0 324.424 3.476 20 10 DGCDRN Cc1ccc(N2CCC[C@@H](NC(=O)C3=CC(=O)CS3)C2)cc1 ZINC000743718784 575062122 /nfs/dbraw/zinc/06/21/22/575062122.db2.gz RTHIFHFIJPDDPY-CYBMUJFWSA-N 0 0 316.426 3.161 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@](C)(O)C(C)C)cc1 ZINC000743713089 575062177 /nfs/dbraw/zinc/06/21/77/575062177.db2.gz RBMPGKADBZOIED-IBGZPJMESA-N 0 0 314.429 3.231 20 10 DGCDRN C[C@H](CC(=O)NCc1c(O)ccc2c1CCCC2)c1cccnc1 ZINC000743718415 575062199 /nfs/dbraw/zinc/06/21/99/575062199.db2.gz OKSGGYFNWPYQSQ-CQSZACIVSA-N 0 0 324.424 3.476 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)Cc2c[nH]c3ccccc23)c1 ZINC000728983554 575199205 /nfs/dbraw/zinc/19/92/05/575199205.db2.gz BFPNQPBRIYPGFI-LBPRGKRZSA-N 0 0 324.380 3.302 20 10 DGCDRN CCOc1cccc(C(=O)N[C@H](C)c2cc(OC)ccc2O)c1 ZINC000728983187 575199220 /nfs/dbraw/zinc/19/92/20/575199220.db2.gz VTVSBPJQIPLBIJ-GFCCVEGCSA-N 0 0 315.369 3.291 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCc2ccsc2)c1 ZINC000728985323 575199224 /nfs/dbraw/zinc/19/92/24/575199224.db2.gz WMCKTUUZQJFAEP-LLVKDONJSA-N 0 0 305.399 3.272 20 10 DGCDRN CCC(CC)[C@@H](CC[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])OC ZINC000746759587 575289986 /nfs/dbraw/zinc/28/99/86/575289986.db2.gz CXVQPMAFHLMYFD-MRXNPFEDSA-N 0 0 310.394 3.231 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1ccnn1C ZINC000745428344 575395311 /nfs/dbraw/zinc/39/53/11/575395311.db2.gz RWNSLPDLUAGFGR-UHFFFAOYSA-N 0 0 322.412 3.066 20 10 DGCDRN CC[C@@H]1C[C@H](C)CN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000745788825 575417839 /nfs/dbraw/zinc/41/78/39/575417839.db2.gz ROYLHFLTOCMWDD-WMLDXEAASA-N 0 0 315.461 3.399 20 10 DGCDRN COc1cccc(CNC(=O)NCC[C@H]2CCCC[C@@H]2C)c1O ZINC000745821057 575418891 /nfs/dbraw/zinc/41/88/91/575418891.db2.gz VBEWIUBIAHVKEV-UONOGXRCSA-N 0 0 320.433 3.416 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@@]1(C)c1ccccc1 ZINC000745858161 575420331 /nfs/dbraw/zinc/42/03/31/575420331.db2.gz ORSFIYONMKHBJP-MJGOQNOKSA-N 0 0 310.397 3.264 20 10 DGCDRN COc1cccc(CNC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1O ZINC000745876737 575420835 /nfs/dbraw/zinc/42/08/35/575420835.db2.gz UTHIGBHMDPPZMI-KCQAQPDRSA-N 0 0 318.417 3.169 20 10 DGCDRN COC(C)(C)CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000745890222 575421609 /nfs/dbraw/zinc/42/16/09/575421609.db2.gz RGUXBHYSWGPSDO-UHFFFAOYSA-N 0 0 321.465 3.098 20 10 DGCDRN Cc1ccc2c(CCC(=O)NCc3ccccc3O)c[nH]c2c1 ZINC000745992789 575426147 /nfs/dbraw/zinc/42/61/47/575426147.db2.gz CFRUJUISIXCGEV-UHFFFAOYSA-N 0 0 308.381 3.431 20 10 DGCDRN CCN(CC(=O)N([C@@H](C)C1CC1)C1CC1)c1ccc(OC)cc1 ZINC000746108000 575432847 /nfs/dbraw/zinc/43/28/47/575432847.db2.gz UVEOQPXCBVINEI-AWEZNQCLSA-N 0 0 316.445 3.311 20 10 DGCDRN CCOc1ccc(N(CC)CC(=O)NC2CCCCC2)cc1 ZINC000746159009 575436637 /nfs/dbraw/zinc/43/66/37/575436637.db2.gz MNYVUBHVMNRTRI-UHFFFAOYSA-N 0 0 304.434 3.361 20 10 DGCDRN CC(=O)C(C)(C)CCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000746239317 575441484 /nfs/dbraw/zinc/44/14/84/575441484.db2.gz FINSUKRDYALFFF-UHFFFAOYSA-N 0 0 317.429 3.283 20 10 DGCDRN Cc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)ccc1N ZINC000746314046 575445285 /nfs/dbraw/zinc/44/52/85/575445285.db2.gz LIPRQHCOZRXTOD-UHFFFAOYSA-N 0 0 309.413 3.107 20 10 DGCDRN Cc1cc(CCNC(=O)c2ccccn2)c(C)n1-c1ccccc1 ZINC000746424662 575452529 /nfs/dbraw/zinc/45/25/29/575452529.db2.gz ARJAOLXQTOTBSJ-UHFFFAOYSA-N 0 0 319.408 3.462 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccc3n[nH]cc3c2)cc1 ZINC000746589675 575463483 /nfs/dbraw/zinc/46/34/83/575463483.db2.gz OYZSMFWAMXRZOF-UHFFFAOYSA-N 0 0 322.412 3.339 20 10 DGCDRN C[C@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)C(C)(C)C1 ZINC000746754662 575473755 /nfs/dbraw/zinc/47/37/55/575473755.db2.gz KYRBJDCUAIIPRO-CQSZACIVSA-N 0 0 315.461 3.399 20 10 DGCDRN CN1CCCc2cc(CNC(=O)/C=C\c3ccsc3)ccc21 ZINC000746809321 575475937 /nfs/dbraw/zinc/47/59/37/575475937.db2.gz VIXMBKYZUOQXNP-ALCCZGGFSA-N 0 0 312.438 3.460 20 10 DGCDRN CN1CCCc2cc(CNC(=O)/C=C/c3ccccc3)ccc21 ZINC000746809282 575475974 /nfs/dbraw/zinc/47/59/74/575475974.db2.gz RQSSRFLUUBAQAA-ZRDIBKRKSA-N 0 0 306.409 3.399 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ocnc2C)cc1 ZINC000747350866 575514079 /nfs/dbraw/zinc/51/40/79/575514079.db2.gz VDQYQWKBFYZGTR-UHFFFAOYSA-N 0 0 301.390 3.101 20 10 DGCDRN CN(C)c1ccc(CN(C)Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000747530558 575523382 /nfs/dbraw/zinc/52/33/82/575523382.db2.gz PZEKUTKSJODFLJ-UHFFFAOYSA-N 0 0 317.364 3.432 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cnn(C(C)C)c2)c1 ZINC000747557008 575524821 /nfs/dbraw/zinc/52/48/21/575524821.db2.gz RVZGKSKXDYURIJ-NSHDSACASA-N 0 0 318.377 3.061 20 10 DGCDRN CCOC[C@@H](O)CN(Cc1ccccc1)c1ccc(OC)cc1 ZINC000747670716 575531482 /nfs/dbraw/zinc/53/14/82/575531482.db2.gz TZXHLYMPKVMNRU-SFHVURJKSA-N 0 0 315.413 3.099 20 10 DGCDRN CC[C@@](C)(NCc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000747814115 575542993 /nfs/dbraw/zinc/54/29/93/575542993.db2.gz PRAVFYAAHIAAMU-OAHLLOKOSA-N 0 0 316.367 3.344 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1nc2c(s1)CCCCC2 ZINC000748324365 575580952 /nfs/dbraw/zinc/58/09/52/575580952.db2.gz BOLQBGGZIHMBCJ-UHFFFAOYSA-N 0 0 317.414 3.439 20 10 DGCDRN Cc1c(C(=O)NCc2ccccc2O)cnn1-c1ccc(C)cc1 ZINC000748346702 575581306 /nfs/dbraw/zinc/58/13/06/575581306.db2.gz ULPHJQBOAKUQEA-UHFFFAOYSA-N 0 0 321.380 3.125 20 10 DGCDRN Cc1ccc(Cl)c(O[C@H](C)C(=O)NCc2ccccc2O)c1 ZINC000748344744 575581532 /nfs/dbraw/zinc/58/15/32/575581532.db2.gz BCFULJUVFQAHDY-GFCCVEGCSA-N 0 0 319.788 3.438 20 10 DGCDRN COc1ccc2oc(C(=O)NCc3ccccc3O)c(C)c2c1 ZINC000748353668 575582608 /nfs/dbraw/zinc/58/26/08/575582608.db2.gz CJVPPILFXQFTMC-UHFFFAOYSA-N 0 0 311.337 3.385 20 10 DGCDRN COc1ccc(Cl)c(NC(=O)NCc2ccccc2O)c1 ZINC000748441839 575586892 /nfs/dbraw/zinc/58/68/92/575586892.db2.gz BWOAUMWINWLTCB-UHFFFAOYSA-N 0 0 306.749 3.376 20 10 DGCDRN C[C@@H]1C[C@H]1c1ccc(CNC(=O)NCc2ccccc2O)o1 ZINC000748458796 575588104 /nfs/dbraw/zinc/58/81/04/575588104.db2.gz CLBLTRFJORUFKX-BXUZGUMPSA-N 0 0 300.358 3.108 20 10 DGCDRN O=C(NCCSCc1ccccc1)NCc1ccccc1O ZINC000748463479 575588654 /nfs/dbraw/zinc/58/86/54/575588654.db2.gz SKJJSFZMMOBQCQ-UHFFFAOYSA-N 0 0 316.426 3.125 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(F)(F)C(F)F ZINC000749351640 575646195 /nfs/dbraw/zinc/64/61/95/575646195.db2.gz GWUXMFRNJOHNIR-UHFFFAOYSA-N 0 0 320.330 3.390 20 10 DGCDRN Cc1cc(C(=O)NCC(C)(C)O)c(C)n1-c1cc(C)cc(C)c1 ZINC000749407610 575654141 /nfs/dbraw/zinc/65/41/41/575654141.db2.gz UXASUKCKPATAPA-UHFFFAOYSA-N 0 0 314.429 3.212 20 10 DGCDRN COCCN(C)C(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC000749573403 575665703 /nfs/dbraw/zinc/66/57/03/575665703.db2.gz VFMGBHYZHWUPGZ-UHFFFAOYSA-N 0 0 300.402 3.121 20 10 DGCDRN CCC[C@@H](O)CC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000750097310 575703865 /nfs/dbraw/zinc/70/38/65/575703865.db2.gz UQVIABOEVQTGIQ-QGZVFWFLSA-N 0 0 306.450 3.042 20 10 DGCDRN COCC[C@H](C)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000750824303 575754206 /nfs/dbraw/zinc/75/42/06/575754206.db2.gz RUMWZFWEPVGMOU-ZDUSSCGKSA-N 0 0 300.402 3.249 20 10 DGCDRN CC(C)Cc1ccc(S(=O)(=O)NCc2ccccc2O)cc1 ZINC000751149364 575772093 /nfs/dbraw/zinc/77/20/93/575772093.db2.gz UEOULQMBHMVLIY-UHFFFAOYSA-N 0 0 319.426 3.069 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)CC[C@@H]2CCOC2)C2CC2)cc1 ZINC000751228510 575776119 /nfs/dbraw/zinc/77/61/19/575776119.db2.gz VAJOLWPJKNYXJB-MRXNPFEDSA-N 0 0 316.445 3.060 20 10 DGCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CC2CC2)cc1 ZINC000751405357 575783891 /nfs/dbraw/zinc/78/38/91/575783891.db2.gz MAKBQWKENXFHDZ-GOSISDBHSA-N 0 0 316.445 3.060 20 10 DGCDRN Cc1ccc(C(=O)NCCc2ccc(Cl)cc2)c(O)c1O ZINC000751529339 575788764 /nfs/dbraw/zinc/78/87/64/575788764.db2.gz AXBFSZWKYGKKKY-UHFFFAOYSA-N 0 0 305.761 3.032 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)c(O)c1O ZINC000751534287 575789510 /nfs/dbraw/zinc/78/95/10/575789510.db2.gz UEFCNSIWLCFYRJ-UHFFFAOYSA-N 0 0 315.325 3.166 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)c(O)c1O ZINC000751534360 575789534 /nfs/dbraw/zinc/78/95/34/575789534.db2.gz FLTFJFCYJGWNHR-UHFFFAOYSA-N 0 0 301.342 3.446 20 10 DGCDRN CC1=C(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CCC1 ZINC000752150445 575825028 /nfs/dbraw/zinc/82/50/28/575825028.db2.gz ARLBXURGVZVCNX-MRXNPFEDSA-N 0 0 315.413 3.400 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)NC[C@H](C)SC)cc1 ZINC000752218326 575826667 /nfs/dbraw/zinc/82/66/67/575826667.db2.gz VBQWQSHJJXHQLW-AWEZNQCLSA-N 0 0 323.506 3.426 20 10 DGCDRN C[C@H](NCc1ccccc1O)c1noc(Cc2ccccc2)n1 ZINC000752265581 575830069 /nfs/dbraw/zinc/83/00/69/575830069.db2.gz JZHZZKAEFSZEPQ-ZDUSSCGKSA-N 0 0 309.369 3.217 20 10 DGCDRN CN(Cc1ccccc1O)C(=S)Nc1ccc(Cl)nc1 ZINC000727078210 576104904 /nfs/dbraw/zinc/10/49/04/576104904.db2.gz PMHYBQQVIIAODU-UHFFFAOYSA-N 0 0 307.806 3.269 20 10 DGCDRN Cc1noc(-c2ccc(NCc3ccc(N(C)C)cc3)nc2)n1 ZINC000727757611 576143823 /nfs/dbraw/zinc/14/38/23/576143823.db2.gz LCMVDBQOTYBMSW-UHFFFAOYSA-N 0 0 309.373 3.118 20 10 DGCDRN CC[C@H]1CCCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000727940142 576155632 /nfs/dbraw/zinc/15/56/32/576155632.db2.gz YQZAEZAYUUDABM-INIZCTEOSA-N 0 0 301.434 3.371 20 10 DGCDRN CC(C)C[N@H+](C)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000728199440 576168861 /nfs/dbraw/zinc/16/88/61/576168861.db2.gz UTSKBPLMKASEGF-UHFFFAOYSA-N 0 0 313.397 3.417 20 10 DGCDRN Cc1ccc(C(C)(C)CNC(=O)NCc2ccccc2O)cc1 ZINC000728748307 576198570 /nfs/dbraw/zinc/19/85/70/576198570.db2.gz SWEONLZNDZSVLH-UHFFFAOYSA-N 0 0 312.413 3.478 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)NCC2CCC2)cc1 ZINC000916633280 620639802 /nfs/dbraw/zinc/63/98/02/620639802.db2.gz UHOKYEREDHXLSS-UHFFFAOYSA-N 0 0 303.450 3.474 20 10 DGCDRN CN1CCCc2cc(CNC(=O)NC3CC(C)(C)C3)ccc21 ZINC000852699467 620641663 /nfs/dbraw/zinc/64/16/63/620641663.db2.gz NWHYTYIZGDMAFZ-UHFFFAOYSA-N 0 0 301.434 3.057 20 10 DGCDRN C[C@]1(Cc2ccccc2)CCCN1C(=O)Cc1ccc(N)cc1 ZINC000852899289 620654751 /nfs/dbraw/zinc/65/47/51/620654751.db2.gz GLOJZGFELNCTBK-HXUWFJFHSA-N 0 0 308.425 3.435 20 10 DGCDRN C[C@@](Cc1ccccc1)(NC(=O)Cc1ccc(N)cc1)C1CC1 ZINC000852914358 620655142 /nfs/dbraw/zinc/65/51/42/620655142.db2.gz UISPJLXCEGTGFI-FQEVSTJZSA-N 0 0 308.425 3.339 20 10 DGCDRN C[C@H](NC(=O)Cc1ccc(N)cc1)c1ccc2c(c1)CCCO2 ZINC000852926457 620655525 /nfs/dbraw/zinc/65/55/25/620655525.db2.gz AZWHXHMQWUMBQR-ZDUSSCGKSA-N 0 0 310.397 3.014 20 10 DGCDRN C[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccc2c(c1)CCCO2 ZINC000852926456 620655466 /nfs/dbraw/zinc/65/54/66/620655466.db2.gz AZWHXHMQWUMBQR-CYBMUJFWSA-N 0 0 310.397 3.014 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2nccs2)cc1 ZINC000917194596 620660262 /nfs/dbraw/zinc/66/02/62/620660262.db2.gz MWOIYXAGOPGLDZ-UHFFFAOYSA-N 0 0 311.410 3.481 20 10 DGCDRN Oc1cc2c(cc1CN1CCCc3cc(F)c(F)cc31)OCO2 ZINC000917471292 620671003 /nfs/dbraw/zinc/67/10/03/620671003.db2.gz FJSFSZJZMJSFDK-UHFFFAOYSA-N 0 0 319.307 3.352 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)Cc3cscn3)cc12 ZINC000853130271 620671918 /nfs/dbraw/zinc/67/19/18/620671918.db2.gz WETXUXJYPFQARJ-UHFFFAOYSA-N 0 0 300.383 3.400 20 10 DGCDRN CCN(CC)c1ccc(CNc2cc(CO)c(F)cn2)cc1 ZINC000853193380 620676463 /nfs/dbraw/zinc/67/64/63/620676463.db2.gz STZHHBFNWFFVFY-UHFFFAOYSA-N 0 0 303.381 3.171 20 10 DGCDRN COc1cccc(NC(=S)N(C)Cc2ccccc2O)c1 ZINC000917581833 620676794 /nfs/dbraw/zinc/67/67/94/620676794.db2.gz ZJGJVJLLTTTXAR-UHFFFAOYSA-N 0 0 302.399 3.230 20 10 DGCDRN C[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)Cc1ccccc1O ZINC000111235149 620685176 /nfs/dbraw/zinc/68/51/76/620685176.db2.gz BXONSPQFEUMICI-UHFFFAOYSA-N 0 0 319.788 3.449 20 10 DGCDRN CN(Cc1ccccc1)C(=O)NCCCSc1nccs1 ZINC000154572293 620687617 /nfs/dbraw/zinc/68/76/17/620687617.db2.gz FYQVYHNSRSGBEN-UHFFFAOYSA-N 0 0 321.471 3.467 20 10 DGCDRN CCc1nc([C@@H](C)NC(=O)NCc2c(O)cccc2F)cs1 ZINC000918004213 620692729 /nfs/dbraw/zinc/69/27/29/620692729.db2.gz POFPXQNISYYWBC-SECBINFHSA-N 0 0 323.393 3.111 20 10 DGCDRN CC1(C)C[C@@]1(C)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000853412123 620693669 /nfs/dbraw/zinc/69/36/69/620693669.db2.gz UFRCHNTUNGWIGH-GOSISDBHSA-N 0 0 301.434 3.275 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)NCc2cccnc2)C2CC2)cc1 ZINC000918054608 620695160 /nfs/dbraw/zinc/69/51/60/620695160.db2.gz MJYLNBVOPRVFEA-UHFFFAOYSA-N 0 0 324.428 3.022 20 10 DGCDRN CCOC(=O)c1cc(CSc2ncc(Cl)s2)on1 ZINC000918095741 620696672 /nfs/dbraw/zinc/69/66/72/620696672.db2.gz NODQSKMDKNGSJH-UHFFFAOYSA-N 0 0 304.780 3.254 20 10 DGCDRN Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1F ZINC000918374302 620705940 /nfs/dbraw/zinc/70/59/40/620705940.db2.gz APMVTHJRXLOPPZ-UHFFFAOYSA-N 0 0 314.360 3.223 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC[C@@H]2CCc3ccccc32)cc1 ZINC000111419573 620710975 /nfs/dbraw/zinc/71/09/75/620710975.db2.gz FBHQCDHTIXODDR-KRWDZBQOSA-N 0 0 323.440 3.282 20 10 DGCDRN COc1ccc(C[N@H+](C)Cc2ccc(Cl)nc2)c(O)c1OC ZINC000891563814 617836059 /nfs/dbraw/zinc/83/60/59/617836059.db2.gz GDOSUKFHLJWVDZ-UHFFFAOYSA-N 0 0 322.792 3.090 20 10 DGCDRN Oc1cc2c(cc1CN1CCO[C@@H](CC(F)(F)F)C1)CCC2 ZINC000853611476 620716359 /nfs/dbraw/zinc/71/63/59/620716359.db2.gz OHBUIEPLAGWVFX-AWEZNQCLSA-N 0 0 315.335 3.034 20 10 DGCDRN COc1ccc(N2CC[C@@H](Nc3ncnc4ccccc43)C2)cc1 ZINC000853758577 620734503 /nfs/dbraw/zinc/73/45/03/620734503.db2.gz HSHFGWKBPJXWHM-CQSZACIVSA-N 0 0 320.396 3.329 20 10 DGCDRN COc1ccc(N2CC[C@H](Nc3ncc(Cl)s3)C2)cc1 ZINC000853758169 620734561 /nfs/dbraw/zinc/73/45/61/620734561.db2.gz AXPIEHIATURTON-JTQLQIEISA-N 0 0 309.822 3.496 20 10 DGCDRN CCc1nc(C)cc(N[C@@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000853760615 620735030 /nfs/dbraw/zinc/73/50/30/620735030.db2.gz LHMKLHNWKHWXEY-CQSZACIVSA-N 0 0 312.417 3.047 20 10 DGCDRN Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NCc1cccc(Cl)c1O ZINC000890759455 617656345 /nfs/dbraw/zinc/65/63/45/617656345.db2.gz CBXJDIDWGDUWQR-VIFPVBQESA-N 0 0 321.808 3.196 20 10 DGCDRN C[C@@H]1CCCC[C@H]1OCC(=O)NCc1cccc(Cl)c1O ZINC000890760585 617656993 /nfs/dbraw/zinc/65/69/93/617656993.db2.gz UHXYNRHSPYHXGA-BXUZGUMPSA-N 0 0 311.809 3.257 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1CCCCC1(F)F ZINC000890761361 617657143 /nfs/dbraw/zinc/65/71/43/617657143.db2.gz PNUNBNHDEONYBO-JTQLQIEISA-N 0 0 303.736 3.487 20 10 DGCDRN C[C@H]1CCCc2ncc(C(=O)NCc3cccc(Cl)c3O)n21 ZINC000890761251 617657259 /nfs/dbraw/zinc/65/72/59/617657259.db2.gz NVVTVFVFLWYRTB-JTQLQIEISA-N 0 0 319.792 3.069 20 10 DGCDRN O=C(C[C@H]1CCC(F)(F)C1)NCc1cccc(Cl)c1O ZINC000890759993 617657339 /nfs/dbraw/zinc/65/73/39/617657339.db2.gz YEFALDCMEHQENI-SECBINFHSA-N 0 0 303.736 3.487 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C(C)=O)cc2)c1 ZINC000111608263 620741037 /nfs/dbraw/zinc/74/10/37/620741037.db2.gz BMSLZFQLNSHKGB-NSHDSACASA-N 0 0 313.353 3.094 20 10 DGCDRN CC(C)(C(=O)NCc1cccc(Cl)c1O)[C@H]1CCCCO1 ZINC000890763564 617659084 /nfs/dbraw/zinc/65/90/84/617659084.db2.gz YIXBPJOGHQRSJN-CYBMUJFWSA-N 0 0 311.809 3.257 20 10 DGCDRN C[C@@H](C(=O)NCc1cc(Br)ccc1O)c1ccco1 ZINC000804737535 617661848 /nfs/dbraw/zinc/66/18/48/617661848.db2.gz KORMJYUKPUKWJQ-SECBINFHSA-N 0 0 324.174 3.168 20 10 DGCDRN O=C(C[C@@H]1C=CCC1)NCc1cc(Br)ccc1O ZINC000804737677 617661957 /nfs/dbraw/zinc/66/19/57/617661957.db2.gz VXWYUTMCCASLTG-SNVBAGLBSA-N 0 0 310.191 3.127 20 10 DGCDRN Cc1coc(C)c1C(=O)NCc1cc(Br)ccc1O ZINC000804739138 617662532 /nfs/dbraw/zinc/66/25/32/617662532.db2.gz RZHMUWCEKYABMP-UHFFFAOYSA-N 0 0 324.174 3.295 20 10 DGCDRN Cc1cc(NCc2cc(Br)ccc2O)nc(C)n1 ZINC000804828253 617680107 /nfs/dbraw/zinc/68/01/07/617680107.db2.gz LTTGFOYQMAEKBP-UHFFFAOYSA-N 0 0 308.179 3.174 20 10 DGCDRN Cc1occc1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000919780587 620765941 /nfs/dbraw/zinc/76/59/41/620765941.db2.gz GWKUUXLSNPIJTO-UHFFFAOYSA-N 0 0 313.401 3.188 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000111880298 620767707 /nfs/dbraw/zinc/76/77/07/620767707.db2.gz VJFKFUZUJANQMP-HNNXBMFYSA-N 0 0 310.397 3.264 20 10 DGCDRN Cc1cccc(Cl)c1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000132670166 617995440 /nfs/dbraw/zinc/99/54/40/617995440.db2.gz FOCGRUNLOIMMEC-UHFFFAOYSA-N 0 0 320.776 3.424 20 10 DGCDRN CC[C@H]1CCC[C@@H](NC(=O)NCc2cc(OC)ccc2O)C1 ZINC000155126546 620771022 /nfs/dbraw/zinc/77/10/22/620771022.db2.gz HUANMHULUQJYAR-GXTWGEPZSA-N 0 0 306.406 3.169 20 10 DGCDRN COC(=O)C(C)(C)C(=O)[C@@H](C)Sc1ncc(Cl)s1 ZINC000850000495 618054662 /nfs/dbraw/zinc/05/46/62/618054662.db2.gz WYPIZTKGOCGDEU-ZCFIWIBFSA-N 0 0 307.824 3.045 20 10 DGCDRN CCO[C@@H](CC)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000919996413 620776208 /nfs/dbraw/zinc/77/62/08/620776208.db2.gz XVXNFDCQCBBHHA-KRWDZBQOSA-N 0 0 304.434 3.059 20 10 DGCDRN COc1ccc([C@@H]2C[C@H]2C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000854271948 620790828 /nfs/dbraw/zinc/79/08/28/620790828.db2.gz WPNPDQVEOZESHA-RBUKOAKNSA-N 0 0 324.424 3.181 20 10 DGCDRN CCC/C(C)=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000920216010 620790892 /nfs/dbraw/zinc/79/08/92/620790892.db2.gz JDXQCLLMNZYKLR-PFONDFGASA-N 0 0 302.418 3.090 20 10 DGCDRN CCC/C(C)=C\C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000920286524 620794806 /nfs/dbraw/zinc/79/48/06/620794806.db2.gz ZLSWGAYERWPWLK-PEZBUJJGSA-N 0 0 316.445 3.228 20 10 DGCDRN COc1ccc(CNc2ccc(F)c([C@@H](C)O)c2)c(O)c1OC ZINC000894434557 618329475 /nfs/dbraw/zinc/32/94/75/618329475.db2.gz GKTZQYDPQAPUFB-SNVBAGLBSA-N 0 0 321.348 3.214 20 10 DGCDRN COc1ccc(CNc2ccc(F)c([C@H](C)O)c2)c(O)c1OC ZINC000894434556 618329502 /nfs/dbraw/zinc/32/95/02/618329502.db2.gz GKTZQYDPQAPUFB-JTQLQIEISA-N 0 0 321.348 3.214 20 10 DGCDRN COc1cc(C)cc(CNc2cccc3c2OCC[C@H]3O)c1O ZINC000894470001 618345350 /nfs/dbraw/zinc/34/53/50/618345350.db2.gz LJUYVZWCSRKXEG-OAHLLOKOSA-N 0 0 315.369 3.137 20 10 DGCDRN COc1cc(C)cc(CNc2cnn([C@@H](C)C3CC3)c2)c1O ZINC000894493822 618356504 /nfs/dbraw/zinc/35/65/04/618356504.db2.gz DQEMWEDTOXYVOC-LBPRGKRZSA-N 0 0 301.390 3.489 20 10 DGCDRN COc1cc(C)cc(CNc2cc(C)cc(OCCO)c2)c1O ZINC000894582038 618393210 /nfs/dbraw/zinc/39/32/10/618393210.db2.gz RSQAZMLPTXMDPJ-UHFFFAOYSA-N 0 0 317.385 3.001 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CCC[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000920487297 620804218 /nfs/dbraw/zinc/80/42/18/620804218.db2.gz SRYSAIDONYYDBY-IUCKJTJTSA-N 0 0 318.373 3.406 20 10 DGCDRN Cc1cc(O)c(CN(C)[C@H](c2nc[nH]n2)c2ccccc2)cc1C ZINC000894958962 618502782 /nfs/dbraw/zinc/50/27/82/618502782.db2.gz GVQNMDGHZYDMNQ-SFHVURJKSA-N 0 0 322.412 3.349 20 10 DGCDRN Cc1nn(C(C)C)c(C)c1CN(C)c1ccc2c(c1)OCO2 ZINC000893460643 618562999 /nfs/dbraw/zinc/56/29/99/618562999.db2.gz HOMHRJLEZWBCRT-UHFFFAOYSA-N 0 0 301.390 3.446 20 10 DGCDRN C[C@H](CNC(=O)NCc1cccc(Cl)c1O)CC(F)(F)F ZINC000895366787 618603610 /nfs/dbraw/zinc/60/36/10/618603610.db2.gz NJHBFEIJPGHWIC-QMMMGPOBSA-N 0 0 324.730 3.433 20 10 DGCDRN Cc1ccncc1[C@@H](C)NC(=O)NCc1cccc(Cl)c1O ZINC000893971264 618685360 /nfs/dbraw/zinc/68/53/60/618685360.db2.gz LDBMXXDEZBLYFG-LLVKDONJSA-N 0 0 319.792 3.309 20 10 DGCDRN Cc1ccsc1CCNC(=O)NCc1cccc(Cl)c1O ZINC000893996348 618688800 /nfs/dbraw/zinc/68/88/00/618688800.db2.gz AOMDYUXNEORHCT-UHFFFAOYSA-N 0 0 324.833 3.457 20 10 DGCDRN C[N@H+](Cc1cc(F)cc(F)c1[O-])[C@H](CCO)c1ccccc1 ZINC000894025966 618696734 /nfs/dbraw/zinc/69/67/34/618696734.db2.gz AVLAREAZHCMQCL-MRXNPFEDSA-N 0 0 307.340 3.226 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1C[C@@H]2CCC[C@@H]12)c1ccc(N(C)C)cc1 ZINC000894287578 618752866 /nfs/dbraw/zinc/75/28/66/618752866.db2.gz WFASNTNSBWXCRM-GUDXXQAFSA-N 0 0 301.434 3.301 20 10 DGCDRN CCOc1ccc(NCc2ccc(OC)c(OC)c2O)nc1C ZINC000895459890 618786979 /nfs/dbraw/zinc/78/69/79/618786979.db2.gz AHLYYPBXVHCKPP-UHFFFAOYSA-N 0 0 318.373 3.124 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCCOC1 ZINC000895662197 618814336 /nfs/dbraw/zinc/81/43/36/618814336.db2.gz BSDVUESFIIUWKO-QMTHXVAHSA-N 0 0 301.789 3.480 20 10 DGCDRN CN=[S@@](C)(=O)c1cccc(NCc2ccc(C)cc2O)c1 ZINC000895731144 618824463 /nfs/dbraw/zinc/82/44/63/618824463.db2.gz FDWNONIIGPRDQO-NRFANRHFSA-N 0 0 304.415 3.399 20 10 DGCDRN CCC[C@@H](CNC(=O)NCc1cccc(Cl)c1O)OCC ZINC000895953628 618854580 /nfs/dbraw/zinc/85/45/80/618854580.db2.gz ZRGCFRFDSPQDNO-LBPRGKRZSA-N 0 0 314.813 3.050 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)C[C@@H]1CC(C)(C)CO1 ZINC000896056149 618867721 /nfs/dbraw/zinc/86/77/21/618867721.db2.gz CWTCJIGKTKJHJA-OAHLLOKOSA-N 0 0 305.418 3.336 20 10 DGCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H]1C1CC1 ZINC000896148185 618879319 /nfs/dbraw/zinc/87/93/19/618879319.db2.gz AKKWKFMKJJZUFC-LLVKDONJSA-N 0 0 303.383 3.327 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1nc2c(s1)CCC2 ZINC000896287663 618897088 /nfs/dbraw/zinc/89/70/88/618897088.db2.gz LAKUOHGLFGGDKK-UHFFFAOYSA-N 0 0 312.797 3.420 20 10 DGCDRN COc1cc(C)cc(CN[C@@H]2c3ccccc3OC[C@@H]2F)c1O ZINC000896424027 618911664 /nfs/dbraw/zinc/91/16/64/618911664.db2.gz MQNWQWHLBVMFBD-WMLDXEAASA-N 0 0 317.360 3.271 20 10 DGCDRN CCCC[C@@H](COC)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896454335 618913340 /nfs/dbraw/zinc/91/33/40/618913340.db2.gz QCNNHSVDTWWWIJ-NSHDSACASA-N 0 0 323.414 3.248 20 10 DGCDRN COc1c(O)c(CNc2ccc(C(C)C)nc2)ccc1[N+](=O)[O-] ZINC000896613887 618933891 /nfs/dbraw/zinc/93/38/91/618933891.db2.gz YXLZAOJOULYSGX-UHFFFAOYSA-N 0 0 317.345 3.440 20 10 DGCDRN COc1ccc(C[NH2+]Cc2c([O-])cccc2F)cc1OC1CC1 ZINC000896644951 618938336 /nfs/dbraw/zinc/93/83/36/618938336.db2.gz ZVMKKKWCZOTOEG-UHFFFAOYSA-N 0 0 317.360 3.371 20 10 DGCDRN CS[C@H]1CC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896697676 618947457 /nfs/dbraw/zinc/94/74/57/618947457.db2.gz WYEBSSBKSYYUQM-ZJUUUORDSA-N 0 0 323.439 3.326 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000896792497 618959925 /nfs/dbraw/zinc/95/99/25/618959925.db2.gz KOUAZTBJHQIFIE-HOTGVXAUSA-N 0 0 316.351 3.134 20 10 DGCDRN CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3ccc(F)c(F)c3[O-])C2)n1 ZINC000897043810 619007680 /nfs/dbraw/zinc/00/76/80/619007680.db2.gz MNVYSOCXIHCCFX-KOLCDFICSA-N 0 0 323.343 3.042 20 10 DGCDRN CCc1noc([C@H]2CC[C@H]([NH2+]Cc3ccc(F)c(F)c3[O-])C2)n1 ZINC000897043814 619007862 /nfs/dbraw/zinc/00/78/62/619007862.db2.gz MNVYSOCXIHCCFX-ONGXEEELSA-N 0 0 323.343 3.042 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCC[C@@H]2CCC(C)(C)CO2)c1 ZINC000897099212 619016152 /nfs/dbraw/zinc/01/61/52/619016152.db2.gz XMQJQIIUCZWURR-HNNXBMFYSA-N 0 0 320.433 3.095 20 10 DGCDRN C[C@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)C(F)F ZINC000881283072 625312890 /nfs/dbraw/zinc/31/28/90/625312890.db2.gz WEDZVZIDTAFYRD-NSHDSACASA-N 0 0 324.327 3.351 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C2(c3ccccc3)CCC2)cc1 ZINC000026081757 619053313 /nfs/dbraw/zinc/05/33/13/619053313.db2.gz ZSZLYYYUEXQYFI-UHFFFAOYSA-N 0 0 308.425 3.491 20 10 DGCDRN O=C(C[C@]12CCCC[C@H]1C2(F)F)NCc1c(O)cccc1F ZINC000928710104 619059612 /nfs/dbraw/zinc/05/96/12/619059612.db2.gz GWHPHDAMGWHXEY-UKRRQHHQSA-N 0 0 313.319 3.363 20 10 DGCDRN C[C@@H](NC(=O)c1cncc(F)c1Cl)c1ccc(N(C)C)cc1 ZINC000897434256 619120014 /nfs/dbraw/zinc/12/00/14/619120014.db2.gz PBNPGYYZSSFVRQ-SNVBAGLBSA-N 0 0 321.783 3.431 20 10 DGCDRN C[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])c1ccccc1[N+](=O)[O-] ZINC000897461007 619130323 /nfs/dbraw/zinc/13/03/23/619130323.db2.gz WXXHEUCYWPKJRX-JTQLQIEISA-N 0 0 322.311 3.472 20 10 DGCDRN CC1CCC(Cn2cc(COc3ccc(N)cc3)nn2)CC1 ZINC000881310490 625321445 /nfs/dbraw/zinc/32/14/45/625321445.db2.gz KDMHKVPNNDSGHP-UHFFFAOYSA-N 0 0 300.406 3.266 20 10 DGCDRN COc1c(O)c(CNc2ccc(C3CC3)cn2)ccc1[N+](=O)[O-] ZINC000897715430 619176070 /nfs/dbraw/zinc/17/60/70/619176070.db2.gz JYKNVGKYNGMAAW-UHFFFAOYSA-N 0 0 315.329 3.194 20 10 DGCDRN CCOc1ccc(C[NH2+][C@H]2CCOC23CCCCC3)c(O)c1 ZINC000897729718 619179610 /nfs/dbraw/zinc/17/96/10/619179610.db2.gz YHZYJJVECTXTID-KRWDZBQOSA-N 0 0 305.418 3.372 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCCC3(CC3)C2)c1 ZINC000897783721 619182466 /nfs/dbraw/zinc/18/24/66/619182466.db2.gz HXPNXQOGJAMLKP-OLZOCXBDSA-N 0 0 318.417 3.484 20 10 DGCDRN C[C@@H](Cc1cccnc1)[NH2+]Cc1cccc(Br)c1[O-] ZINC000897969443 619200531 /nfs/dbraw/zinc/20/05/31/619200531.db2.gz JQUCICIDVUZRJF-NSHDSACASA-N 0 0 321.218 3.271 20 10 DGCDRN CO[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)CC(C)C ZINC000897988721 619203277 /nfs/dbraw/zinc/20/32/77/619203277.db2.gz WPYHHKNEZDIUML-LLVKDONJSA-N 0 0 323.414 3.103 20 10 DGCDRN C[C@@H]1[C@H](C)CN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@H]1C ZINC000897989701 619203661 /nfs/dbraw/zinc/20/36/61/619203661.db2.gz PORIVGVXTVYRMX-BBBLOLIVSA-N 0 0 305.399 3.429 20 10 DGCDRN Cn1nc(C[NH2+]Cc2cccc(Cl)c2[O-])cc1C(F)(F)F ZINC000898021636 619206887 /nfs/dbraw/zinc/20/68/87/619206887.db2.gz OXJMXNQOOXOJDM-UHFFFAOYSA-N 0 0 319.714 3.088 20 10 DGCDRN C[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)CC(F)F ZINC000898080000 619214110 /nfs/dbraw/zinc/21/41/10/619214110.db2.gz AZYAHNPWYCWZRG-SSDOTTSWSA-N 0 0 315.341 3.334 20 10 DGCDRN [O-]c1c(Br)cccc1C[NH+]1CC(Cc2ccoc2)C1 ZINC000898160745 619218859 /nfs/dbraw/zinc/21/88/59/619218859.db2.gz RSUIRCRLQHIFTH-UHFFFAOYSA-N 0 0 322.202 3.422 20 10 DGCDRN CCc1nn(C)c(Cl)c1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898218840 619222852 /nfs/dbraw/zinc/22/28/52/619222852.db2.gz QOCITCNZTKDJAJ-UHFFFAOYSA-N 0 0 314.216 3.285 20 10 DGCDRN CC(C)(C)OC(=O)c1ccc(NC(=O)C2=CC(=O)CS2)nc1 ZINC000898303581 619235261 /nfs/dbraw/zinc/23/52/61/619235261.db2.gz HBJSKUIOOCTVCA-UHFFFAOYSA-N 0 0 320.370 3.056 20 10 DGCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CC(CC2CC2)C1 ZINC000899040434 619308175 /nfs/dbraw/zinc/30/81/75/619308175.db2.gz DETDTWLFRYMCIB-UHFFFAOYSA-N 0 0 303.383 3.185 20 10 DGCDRN O=C(N[C@H]1CCCC12CC2)c1cc2cc(O)c(O)cc2s1 ZINC000899154518 619315396 /nfs/dbraw/zinc/31/53/96/619315396.db2.gz TWJNELHZLGVDPD-AWEZNQCLSA-N 0 0 303.383 3.375 20 10 DGCDRN C[C@H]1Cc2cc(/C=C3\SC(=S)N(C4CC4)C3=O)ccc2O1 ZINC000899260401 619323616 /nfs/dbraw/zinc/32/36/16/619323616.db2.gz FVZWDVUOTOAKEA-JNNKLVPLSA-N 0 0 317.435 3.374 20 10 DGCDRN C[C@@H]1C[C@H](NC(=O)NCc2cc(Cl)ccc2O)CCS1 ZINC000927229549 619370122 /nfs/dbraw/zinc/37/01/22/619370122.db2.gz AITZTVILHAMNEJ-BXKDBHETSA-N 0 0 314.838 3.129 20 10 DGCDRN O=C(CC[C@H]1CCc2ccccc21)NCc1ccc(O)c(O)c1 ZINC000901131359 619474049 /nfs/dbraw/zinc/47/40/49/619474049.db2.gz JELJHYAWZOJKAD-OAHLLOKOSA-N 0 0 311.381 3.224 20 10 DGCDRN Cc1cnc(Cl)c(/C=C2\SC(N3CCCCC3)=NC2=O)c1 ZINC000901435958 619501583 /nfs/dbraw/zinc/50/15/83/619501583.db2.gz LNGXKKPXPQOZTE-WQLSENKSSA-N 0 0 321.833 3.500 20 10 DGCDRN COC(=O)c1cnc(SC[C@H]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000901570871 619520852 /nfs/dbraw/zinc/52/08/52/619520852.db2.gz QKSJKOCAIHNEBB-MYJAWHEDSA-N 0 0 301.433 3.225 20 10 DGCDRN COc1cc(CNc2cccn(C)c2=O)c(O)c(C(C)(C)C)c1 ZINC000902211566 619599517 /nfs/dbraw/zinc/59/95/17/619599517.db2.gz YHJUAIICSXMETN-UHFFFAOYSA-N 0 0 316.401 3.009 20 10 DGCDRN Cn1nc(NCc2ccc(N3CCOCC3)cc2)c2ccccc21 ZINC000902689756 619664157 /nfs/dbraw/zinc/66/41/57/619664157.db2.gz QJKUMVMHUZPYOC-UHFFFAOYSA-N 0 0 322.412 3.022 20 10 DGCDRN Cc1cc(CN[C@H](C)c2cn(C)nn2)c(C)n1-c1cccc(C)c1 ZINC000903069040 619714459 /nfs/dbraw/zinc/71/44/59/619714459.db2.gz BGCKAYDZLGPXEV-OAHLLOKOSA-N 0 0 323.444 3.382 20 10 DGCDRN C[C@H]([NH2+]Cc1nc2c(s1)CCC2)c1cc(F)cc(F)c1[O-] ZINC000903190575 619737682 /nfs/dbraw/zinc/73/76/82/619737682.db2.gz AVGXLBDNHNSDAG-QMMMGPOBSA-N 0 0 310.369 3.466 20 10 DGCDRN O=C1NC(=S)S/C1=C\c1c(F)cccc1OC(F)(F)F ZINC000789128429 625367986 /nfs/dbraw/zinc/36/79/86/625367986.db2.gz SXMNEVREDXVGBV-YWEYNIOJSA-N 0 0 323.292 3.213 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CCCN2CCSC[C@H]12)c1ccc(F)cc1[O-] ZINC000903271659 619750187 /nfs/dbraw/zinc/75/01/87/619750187.db2.gz JZSGKFFHLVYRCR-ARFHVFGLSA-N 0 0 324.465 3.152 20 10 DGCDRN CC(C)[C@@H]1C[C@H](c2nc(Cc3ccc(N)cc3)no2)CCO1 ZINC000904504722 619925940 /nfs/dbraw/zinc/92/59/40/619925940.db2.gz SBWHEMGJRHJOPF-HIFRSBDPSA-N 0 0 301.390 3.161 20 10 DGCDRN O=C1Nc2ccccc2/C1=C/c1ccc(N2CCC(O)CC2)cc1 ZINC000905068721 619970201 /nfs/dbraw/zinc/97/02/01/619970201.db2.gz IESXHSVWEGHUBX-AQTBWJFISA-N 0 0 320.392 3.140 20 10 DGCDRN CC1(NC(=S)N(Cc2ccco2)Cc2ccccc2O)CC1 ZINC000789173094 625385721 /nfs/dbraw/zinc/38/57/21/625385721.db2.gz KJIXLMLVARKUQQ-UHFFFAOYSA-N 0 0 316.426 3.414 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)[C@@H]1CCCO1 ZINC000906345780 620088371 /nfs/dbraw/zinc/08/83/71/620088371.db2.gz VUTQNHKIRXAIRH-YJBOKZPZSA-N 0 0 318.461 3.305 20 10 DGCDRN C[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)[C@H]1CCCO1 ZINC000906434599 620095231 /nfs/dbraw/zinc/09/52/31/620095231.db2.gz SNGQVGRAXXERTH-MAUKXSAKSA-N 0 0 316.445 3.108 20 10 DGCDRN COc1ccc(O)c(CNC(=O)C2(C3CCCCC3)CC2)c1 ZINC000907059597 620135988 /nfs/dbraw/zinc/13/59/88/620135988.db2.gz JVHOTWIZJFCZPN-UHFFFAOYSA-N 0 0 303.402 3.378 20 10 DGCDRN CCc1csc([C@@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)n1 ZINC000910729124 620307237 /nfs/dbraw/zinc/30/72/37/620307237.db2.gz IZUJXDMLGOHQKW-BREXMAIKSA-N 0 0 318.398 3.007 20 10 DGCDRN CCCCNc1ccccc1C(=O)NCc1ccc(O)cc1O ZINC000910951686 620318598 /nfs/dbraw/zinc/31/85/98/620318598.db2.gz LIYIFCRLZANKMA-UHFFFAOYSA-N 0 0 314.385 3.240 20 10 DGCDRN CC[C@H](C)Oc1ccc(C(=O)NCc2ccc(O)cc2O)cc1 ZINC000910951238 620318678 /nfs/dbraw/zinc/31/86/78/620318678.db2.gz PTCJTWCQBKFHBK-LBPRGKRZSA-N 0 0 315.369 3.205 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000910946369 620319815 /nfs/dbraw/zinc/31/98/15/620319815.db2.gz NHZJORZRPPNYEQ-UHOFOFEASA-N 0 0 303.402 3.321 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1scnc1C1CCCC1 ZINC000910947514 620319973 /nfs/dbraw/zinc/31/99/73/620319973.db2.gz GIHGTSQYKIVVNU-UHFFFAOYSA-N 0 0 318.398 3.142 20 10 DGCDRN CC[C@@H]1CCc2[nH]c(=O)c(C(=O)Nc3ccc(N)cc3)cc2C1 ZINC000911660558 620339554 /nfs/dbraw/zinc/33/95/54/620339554.db2.gz KSCNERKBFNVRKF-LLVKDONJSA-N 0 0 311.385 3.137 20 10 DGCDRN CC(C)(C)Cc1ncc(C(=O)NCCc2ccc(N)cc2)s1 ZINC000911782778 620346022 /nfs/dbraw/zinc/34/60/22/620346022.db2.gz MZPBQVKWDWFPPO-UHFFFAOYSA-N 0 0 317.458 3.286 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000150729265 620387897 /nfs/dbraw/zinc/38/78/97/620387897.db2.gz KPMVOQUSNPVKDR-UHFFFAOYSA-N 0 0 309.369 3.032 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)N(C)Cc2ccccc2)cc1 ZINC000150734156 620388545 /nfs/dbraw/zinc/38/85/45/620388545.db2.gz YQRGSMNTVRAXIA-UHFFFAOYSA-N 0 0 312.413 3.180 20 10 DGCDRN CCOc1ccc(N(C)CC[S@](=O)c2ccccc2)cc1 ZINC000150733569 620388597 /nfs/dbraw/zinc/38/85/97/620388597.db2.gz HFIOKNLSFWCGNA-OAQYLSRUSA-N 0 0 303.427 3.329 20 10 DGCDRN O=C1/C(=C/c2cc(Cl)ccc2O)SC(=S)N1C1CC1 ZINC000028975329 620398123 /nfs/dbraw/zinc/39/81/23/620398123.db2.gz BAGFNSBIYSKKHC-WDZFZDKYSA-N 0 0 311.815 3.409 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CCOC3(CCCC3)C2)c1 ZINC000913000565 620419111 /nfs/dbraw/zinc/41/91/11/620419111.db2.gz NPBXEWSJYJBSRN-CQSZACIVSA-N 0 0 303.402 3.056 20 10 DGCDRN O=C(OCc1ncccc1C(F)(F)F)C1=CC(=O)CS1 ZINC000758459841 620461181 /nfs/dbraw/zinc/46/11/81/620461181.db2.gz DMUVLAVVVUMUDB-UHFFFAOYSA-N 0 0 303.261 3.225 20 10 DGCDRN CCNC(=O)N1CCc2ccc(NCc3ccccc3O)cc21 ZINC000151720258 620471894 /nfs/dbraw/zinc/47/18/94/620471894.db2.gz SGFMGHQIEOJQHW-UHFFFAOYSA-N 0 0 311.385 3.096 20 10 DGCDRN COc1ccc(O)c(CNC(=O)C(C)(C)c2ccc(C)cc2)c1 ZINC000151732686 620472246 /nfs/dbraw/zinc/47/22/46/620472246.db2.gz YNKPDJKAPHRLQB-UHFFFAOYSA-N 0 0 313.397 3.303 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC[C@@H]2C)cc1 ZINC000914165786 620510611 /nfs/dbraw/zinc/51/06/11/620510611.db2.gz ODEMCUFCLPVGQG-ZDUSSCGKSA-N 0 0 310.397 3.070 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152671627 620516966 /nfs/dbraw/zinc/51/69/66/620516966.db2.gz JMQMECZHDOQPJF-UHFFFAOYSA-N 0 0 320.732 3.226 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)CCOC(C)C)cc1 ZINC000914720318 620550433 /nfs/dbraw/zinc/55/04/33/620550433.db2.gz YMTXKTPUQANZNE-UHFFFAOYSA-N 0 0 306.450 3.306 20 10 DGCDRN COc1ccccc1NC[C@H](O)COc1ccccc1Cl ZINC000032208733 620557244 /nfs/dbraw/zinc/55/72/44/620557244.db2.gz DRSJHELMRNDAIV-LBPRGKRZSA-N 0 0 307.777 3.200 20 10 DGCDRN Cc1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n(C)n1 ZINC000914860239 620558012 /nfs/dbraw/zinc/55/80/12/620558012.db2.gz YWEWZSLLXNFKGZ-UHFFFAOYSA-N 0 0 308.385 3.388 20 10 DGCDRN COc1ccc(Cc2nnc(Sc3nccs3)o2)cc1 ZINC000914862506 620558104 /nfs/dbraw/zinc/55/81/04/620558104.db2.gz GYXDTMMJCYCTKL-UHFFFAOYSA-N 0 0 305.384 3.277 20 10 DGCDRN CCn1c(Cc2ccccc2)nnc1Sc1nccs1 ZINC000914862464 620558247 /nfs/dbraw/zinc/55/82/47/620558247.db2.gz DZFNOGQKOMCXCL-UHFFFAOYSA-N 0 0 302.428 3.497 20 10 DGCDRN C[C@@H](N[C@@H](C)c1nccs1)c1ccc(N2CCOCC2)cc1 ZINC000153301357 620599592 /nfs/dbraw/zinc/59/95/92/620599592.db2.gz ZJEWSIXKBZEAAJ-KGLIPLIRSA-N 0 0 317.458 3.392 20 10 DGCDRN CCOCCCNC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000915888620 620605943 /nfs/dbraw/zinc/60/59/43/620605943.db2.gz BRPKFDPEGWHIMN-UHFFFAOYSA-N 0 0 321.465 3.101 20 10 DGCDRN CCN1C(=O)/C(=C/c2c(Cl)nc3ccccn32)SC1=S ZINC000916134768 620618645 /nfs/dbraw/zinc/61/86/45/620618645.db2.gz RROPEAFXYGYHIG-CLFYSBASSA-N 0 0 323.830 3.209 20 10 DGCDRN CCC/C=C\C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000920887999 620827137 /nfs/dbraw/zinc/82/71/37/620827137.db2.gz JGTJNOHXUFRFTK-YVACAVLKSA-N 0 0 302.418 3.057 20 10 DGCDRN C[C@@H](Cc1ccc(F)cc1)C(=O)N(C)Cc1ccccc1O ZINC000921076531 620835767 /nfs/dbraw/zinc/83/57/67/620835767.db2.gz ZHQYXJUBJCWAOD-ZDUSSCGKSA-N 0 0 301.361 3.369 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H]1CC(C)=NO1 ZINC000854792033 620839245 /nfs/dbraw/zinc/83/92/45/620839245.db2.gz PFHZAEVZTTXKFL-CYBMUJFWSA-N 0 0 317.414 3.050 20 10 DGCDRN Cc1csc([C@@H](C)C(=O)NCc2cc(Cl)ccc2O)n1 ZINC000855022909 620863443 /nfs/dbraw/zinc/86/34/43/620863443.db2.gz MFINXDFTOJDEKO-VIFPVBQESA-N 0 0 310.806 3.230 20 10 DGCDRN CC(C)CCc1cc(NC(=O)C=Cc2ccc(O)c(O)c2)n[nH]1 ZINC000855105254 620869261 /nfs/dbraw/zinc/86/92/61/620869261.db2.gz NETVGYQSBAENMF-YVMONPNESA-N 0 0 315.373 3.061 20 10 DGCDRN CC[C@H](CC(C)C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855222824 620881363 /nfs/dbraw/zinc/88/13/63/620881363.db2.gz AZUDLAYSFOBQRU-HZPDHXFCSA-N 0 0 318.461 3.462 20 10 DGCDRN CC/C(C)=C(\C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855224521 620881788 /nfs/dbraw/zinc/88/17/88/620881788.db2.gz FQUCBFVSWFWNOG-SZGUKTLCSA-N 0 0 302.418 3.137 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCC(C)(C)C3)C2)cc1 ZINC000855224554 620881824 /nfs/dbraw/zinc/88/18/24/620881824.db2.gz FWNPMBWYAHNRRK-LSDHHAIUSA-N 0 0 316.445 3.216 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)CC3CC(C)(C)C3)C2)cc1 ZINC000855224937 620881973 /nfs/dbraw/zinc/88/19/73/620881973.db2.gz IOAHZZRKGDPRJL-HNNXBMFYSA-N 0 0 316.445 3.216 20 10 DGCDRN CCCC[C@@](C)(F)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855226890 620881977 /nfs/dbraw/zinc/88/19/77/620881977.db2.gz VGFFYITWQZKOCE-RDTXWAMCSA-N 0 0 322.424 3.309 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)C3CCCC3)C2)cc1 ZINC000855231079 620882185 /nfs/dbraw/zinc/88/21/85/620882185.db2.gz JGDVSXUBNACWAP-HOCLYGCPSA-N 0 0 316.445 3.216 20 10 DGCDRN CC[C@@H](CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C(C)C ZINC000855228852 620882449 /nfs/dbraw/zinc/88/24/49/620882449.db2.gz FJCKYHYECBOXCW-HOTGVXAUSA-N 0 0 318.461 3.462 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)C3=CCCCCC3)C2)cc1 ZINC000855228045 620882462 /nfs/dbraw/zinc/88/24/62/620882462.db2.gz UKNGIKJTXHFANQ-INIZCTEOSA-N 0 0 314.429 3.281 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)c3ccccc3C)C2)cc1 ZINC000855235095 620882691 /nfs/dbraw/zinc/88/26/91/620882691.db2.gz WZMSYKUMYFRBRO-HNNXBMFYSA-N 0 0 310.397 3.012 20 10 DGCDRN C[C@H]([NH2+]CCc1cn(C)cn1)c1cccc(C(F)(F)F)c1[O-] ZINC000840764554 620883956 /nfs/dbraw/zinc/88/39/56/620883956.db2.gz VBOLWQRHXOMTES-JTQLQIEISA-N 0 0 313.323 3.038 20 10 DGCDRN C[C@H]([NH2+]CCc1cn(C)cn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000840765327 620884835 /nfs/dbraw/zinc/88/48/35/620884835.db2.gz CTEWNJRFQSKBEB-VIFPVBQESA-N 0 0 314.216 3.326 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)CN1CC(C)(C)OC1=O ZINC000755727584 620889634 /nfs/dbraw/zinc/88/96/34/620889634.db2.gz LUSZMJJXJOVIIP-UHFFFAOYSA-N 0 0 319.449 3.151 20 10 DGCDRN CC(C)c1noc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000888388274 620939696 /nfs/dbraw/zinc/93/96/96/620939696.db2.gz VGZIUQTUKSRATM-NSHDSACASA-N 0 0 317.393 3.142 20 10 DGCDRN CC(C)(C)O[C@H]1C[C@H](NC(=O)C2=CC(=O)CS2)C12CCC2 ZINC000855922786 620948895 /nfs/dbraw/zinc/94/88/95/620948895.db2.gz RDQZIIKQPUVLOY-STQMWFEESA-N 0 0 309.431 3.310 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1nc(C(C)C)no1 ZINC000888395024 620948849 /nfs/dbraw/zinc/94/88/49/620948849.db2.gz KCNMNNWAQNEDGG-UHFFFAOYSA-N 0 0 318.377 3.343 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C(C)=C\c1cccnc1)CCC2 ZINC000856078546 620958643 /nfs/dbraw/zinc/95/86/43/620958643.db2.gz TYRWMWGGZCKHBC-KAMYIIQDSA-N 0 0 308.381 3.473 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cccc(F)c2)c1 ZINC000756382455 620969425 /nfs/dbraw/zinc/96/94/25/620969425.db2.gz DBNBFRYJTMEMSP-LLVKDONJSA-N 0 0 303.333 3.169 20 10 DGCDRN CC(C)[C@H](CC(F)(F)F)NC(=O)NCc1c(O)cccc1F ZINC000922124785 620991605 /nfs/dbraw/zinc/99/16/05/620991605.db2.gz GHZAQPYNPCIZPU-NSHDSACASA-N 0 0 322.302 3.308 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2ccccc2OC(C)C)c1 ZINC000114540861 621009274 /nfs/dbraw/zinc/00/92/74/621009274.db2.gz DZZHAXPGRJDMCL-UHFFFAOYSA-N 0 0 315.369 3.118 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Cc2c[nH]c3cc(C)ccc23)c1 ZINC000114544406 621009624 /nfs/dbraw/zinc/00/96/24/621009624.db2.gz GOWHJWSXMFILAD-UHFFFAOYSA-N 0 0 324.380 3.049 20 10 DGCDRN CCc1sc(C(=O)NCc2cc(OC)ccc2O)cc1C ZINC000114544325 621009751 /nfs/dbraw/zinc/00/97/51/621009751.db2.gz JLPKNELWDBMTCZ-UHFFFAOYSA-N 0 0 305.399 3.263 20 10 DGCDRN CCN(CC)c1ccc(CNc2nccc3nccnc32)cc1 ZINC000856724227 621011088 /nfs/dbraw/zinc/01/10/88/621011088.db2.gz YFMDVUBAMCGFNJ-UHFFFAOYSA-N 0 0 307.401 3.483 20 10 DGCDRN COc1cccc(OC)c1CNCc1ccc2c(c1)CCCO2 ZINC000922240713 621011953 /nfs/dbraw/zinc/01/19/53/621011953.db2.gz RDDXKJXRSIWGJU-UHFFFAOYSA-N 0 0 313.397 3.319 20 10 DGCDRN COc1ccc(NC(=O)NCc2cc(OC)ccc2O)c(C)c1 ZINC000114576571 621015912 /nfs/dbraw/zinc/01/59/12/621015912.db2.gz UAPCYMGFMTVAFM-UHFFFAOYSA-N 0 0 316.357 3.040 20 10 DGCDRN COc1cc(CNc2ncccc2CO)c(O)c(C(C)(C)C)c1 ZINC000922290110 621018086 /nfs/dbraw/zinc/01/80/86/621018086.db2.gz PJIIEXJYOCYSIW-UHFFFAOYSA-N 0 0 316.401 3.198 20 10 DGCDRN O=C(NCC[C@@H]1CC1(F)F)NCc1c(O)ccc2c1CCCC2 ZINC000856883307 621030837 /nfs/dbraw/zinc/03/08/37/621030837.db2.gz GVVSPVCFJHLKIA-GFCCVEGCSA-N 0 0 324.371 3.116 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1nccc2c1CCCC2 ZINC000922460491 621041036 /nfs/dbraw/zinc/04/10/36/621041036.db2.gz AFTXEQGARFGPBI-UHFFFAOYSA-N 0 0 304.340 3.234 20 10 DGCDRN CN(C)c1cc(F)c(CN[C@H](c2ncccn2)C2CC2)cc1F ZINC000922577242 621060081 /nfs/dbraw/zinc/06/00/81/621060081.db2.gz OXGPBBHJKOMNDJ-INIZCTEOSA-N 0 0 318.371 3.062 20 10 DGCDRN O=C(c1c(F)ccc(O)c1O)N1CCCC2(CCCC2)CC1 ZINC000857305340 621078305 /nfs/dbraw/zinc/07/83/05/621078305.db2.gz DDTLUEJPYWHYIF-UHFFFAOYSA-N 0 0 307.365 3.423 20 10 DGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c1[O-] ZINC000922732115 621092264 /nfs/dbraw/zinc/09/22/64/621092264.db2.gz LTNSOQMPSBLOEZ-IMTBSYHQSA-N 0 0 324.686 3.242 20 10 DGCDRN CCc1ccc(CC(=O)NCc2cc(Cl)ccc2O)cc1 ZINC000857547677 621094914 /nfs/dbraw/zinc/09/49/14/621094914.db2.gz PLOIMONGFIGGSW-UHFFFAOYSA-N 0 0 303.789 3.467 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N(CC2CC2)CC2CC2)cc1 ZINC000115639218 621119560 /nfs/dbraw/zinc/11/95/60/621119560.db2.gz DUHXBPUZEHDJCF-UHFFFAOYSA-N 0 0 301.434 3.084 20 10 DGCDRN CCCCOCCCNC(=O)NCc1ccc(N(C)C)cc1C ZINC000115659152 621120951 /nfs/dbraw/zinc/12/09/51/621120951.db2.gz ZIADXSNSHDUVLS-UHFFFAOYSA-N 0 0 321.465 3.067 20 10 DGCDRN COc1cccc(O)c1C[NH2+]C[C@]1(c2ccccc2)CCCO1 ZINC000922959886 621136981 /nfs/dbraw/zinc/13/69/81/621136981.db2.gz HXXMJWYXJHPKHA-IBGZPJMESA-N 0 0 313.397 3.196 20 10 DGCDRN CN(C(=O)C1=CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000858094659 621151758 /nfs/dbraw/zinc/15/17/58/621151758.db2.gz HPPGSYCITPHRKX-AWEZNQCLSA-N 0 0 316.401 3.263 20 10 DGCDRN CS[C@@H]1CCCC[C@H]1NC(=O)NCc1c(O)cccc1F ZINC000923059811 621152597 /nfs/dbraw/zinc/15/25/97/621152597.db2.gz AEBODROHFPUYMU-TZMCWYRMSA-N 0 0 312.410 3.005 20 10 DGCDRN C[C@@]1(CCNC(=O)NCc2c(O)cccc2F)C[C@@]1(F)Cl ZINC000923067271 621154337 /nfs/dbraw/zinc/15/43/37/621154337.db2.gz UNZIXCCVBFAOHI-KGLIPLIRSA-N 0 0 318.751 3.035 20 10 DGCDRN CCn1nc(C)c(CNCc2cc(F)c(N(C)C)cc2F)c1C ZINC000858124797 621155366 /nfs/dbraw/zinc/15/53/66/621155366.db2.gz PWVPGEWQCALWME-UHFFFAOYSA-N 0 0 322.403 3.154 20 10 DGCDRN CC(C)c1cc(CNCc2cc(F)c(N(C)C)cc2F)on1 ZINC000858137097 621156568 /nfs/dbraw/zinc/15/65/68/621156568.db2.gz FOVZLUMQHVOTFT-UHFFFAOYSA-N 0 0 309.360 3.432 20 10 DGCDRN CC(C)n1ccc(CNCc2c(O)cccc2Br)n1 ZINC000858141621 621157447 /nfs/dbraw/zinc/15/74/47/621157447.db2.gz QYDOPAOVGGCDQW-UHFFFAOYSA-N 0 0 324.222 3.222 20 10 DGCDRN COC[C@H](NCc1cc(F)c(N(C)C)cc1F)c1ccco1 ZINC000858148511 621158793 /nfs/dbraw/zinc/15/87/93/621158793.db2.gz ZXJGPXPAGYGREG-AWEZNQCLSA-N 0 0 310.344 3.101 20 10 DGCDRN CCn1cc([C@H](C)NCc2cc(F)c(N(C)C)cc2F)cn1 ZINC000858173921 621161633 /nfs/dbraw/zinc/16/16/33/621161633.db2.gz JKUBQMHOKWNGAW-NSHDSACASA-N 0 0 308.376 3.098 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCCCc2cccc(F)c2)c1 ZINC000858208392 621164612 /nfs/dbraw/zinc/16/46/12/621164612.db2.gz BBNAJHACBPKJKR-UHFFFAOYSA-N 0 0 316.376 3.272 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCc2nc(C(C)C)cs2)c1 ZINC000858303502 621173250 /nfs/dbraw/zinc/17/32/50/621173250.db2.gz WWYBRAKPWFLSJG-UHFFFAOYSA-N 0 0 319.430 3.280 20 10 DGCDRN Cc1cnc([C@@H](C)CNC(=O)NCc2cc(C)ccc2O)s1 ZINC000858359866 621180938 /nfs/dbraw/zinc/18/09/38/621180938.db2.gz JTYROXIVQZMTPF-NSHDSACASA-N 0 0 319.430 3.068 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccns1 ZINC000858369795 621181771 /nfs/dbraw/zinc/18/17/71/621181771.db2.gz XWWBFNSPLMSTGX-NWDGAFQWSA-N 0 0 318.446 3.331 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@H](c3ccccc3)C2)c1 ZINC000858418364 621188183 /nfs/dbraw/zinc/18/81/83/621188183.db2.gz RDPSPAJQWSMQSL-JCNLHEQBSA-N 0 0 310.397 3.446 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCC2CCC2)cc1 ZINC000858434035 621190541 /nfs/dbraw/zinc/19/05/41/621190541.db2.gz AAYUWHGNSKWIBV-UHFFFAOYSA-N 0 0 324.424 3.365 20 10 DGCDRN C[C@@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1ccc(F)cc1[O-] ZINC000858452606 621193106 /nfs/dbraw/zinc/19/31/06/621193106.db2.gz MTGCRKIGSVPRTH-MRVPVSSYSA-N 0 0 317.286 3.134 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1cc(F)cc(F)c1[O-] ZINC000858479075 621196216 /nfs/dbraw/zinc/19/62/16/621196216.db2.gz IFBSTKXROTUVLQ-KOLCDFICSA-N 0 0 320.330 3.051 20 10 DGCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2cccc3c2OCC3)c1 ZINC000858478482 621196279 /nfs/dbraw/zinc/19/62/79/621196279.db2.gz ROCUZNIUYAVNIT-NSHDSACASA-N 0 0 313.353 3.287 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1ccc(F)cc1[O-] ZINC000858478972 621196284 /nfs/dbraw/zinc/19/62/84/621196284.db2.gz FYMSDDQVLFTDOQ-JSGCOSHPSA-N 0 0 316.367 3.302 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000858491650 621197558 /nfs/dbraw/zinc/19/75/58/621197558.db2.gz MKBQAGZJBHNEMP-RDJZCZTQSA-N 0 0 310.397 3.304 20 10 DGCDRN CCCCN(Cc1ccccc1O)c1cc(Cl)nc(=O)[nH]1 ZINC000858532963 621202279 /nfs/dbraw/zinc/20/22/79/621202279.db2.gz ORHSDNOSUJEKFB-UHFFFAOYSA-N 0 0 307.781 3.348 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)c1 ZINC000858536430 621202724 /nfs/dbraw/zinc/20/27/24/621202724.db2.gz HTKJUGKNQZEIBH-GNTLTTKYSA-N 0 0 303.402 3.266 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1cc(Cl)nc(=O)[nH]1 ZINC000858571901 621205645 /nfs/dbraw/zinc/20/56/45/621205645.db2.gz LTMDKOQZYRCNPG-LLVKDONJSA-N 0 0 320.824 3.253 20 10 DGCDRN COc1c(C)cccc1CNC(=O)NCc1cc(C)ccc1O ZINC000858590972 621207613 /nfs/dbraw/zinc/20/76/13/621207613.db2.gz IIBRAXBDPFRCTH-UHFFFAOYSA-N 0 0 314.385 3.017 20 10 DGCDRN CCO[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)C(C)C ZINC000858836549 621224418 /nfs/dbraw/zinc/22/44/18/621224418.db2.gz CEFUZTMPIWJWOH-SFHVURJKSA-N 0 0 318.461 3.354 20 10 DGCDRN CC(C)CCOC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000858918601 621231660 /nfs/dbraw/zinc/23/16/60/621231660.db2.gz XTLOQDYLTHHONU-OAHLLOKOSA-N 0 0 320.433 3.357 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1cc(CO)ccc1F ZINC000859068975 621244495 /nfs/dbraw/zinc/24/44/95/621244495.db2.gz AABXPIGUTUJPFT-UHFFFAOYSA-N 0 0 301.361 3.279 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C)C1CC(C)(C)C1 ZINC000838477659 621258227 /nfs/dbraw/zinc/25/82/27/621258227.db2.gz GFUSJMHUZXRDKV-UHFFFAOYSA-N 0 0 303.450 3.391 20 10 DGCDRN C[N@H+](CCC1CN(C(=O)OC(C)(C)C)C1)Cc1ccccc1O ZINC000859189145 621258433 /nfs/dbraw/zinc/25/84/33/621258433.db2.gz NMIWNSRBUBTUOZ-UHFFFAOYSA-N 0 0 320.433 3.081 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000838478916 621258679 /nfs/dbraw/zinc/25/86/79/621258679.db2.gz NOAUBGKNMGBAHJ-COXVUDFISA-N 0 0 301.434 3.049 20 10 DGCDRN CN(Cc1cccnc1C(F)(F)F)c1ccc2c(c1)OCO2 ZINC000859206276 621260202 /nfs/dbraw/zinc/26/02/02/621260202.db2.gz KBWBEMXCIVPDHU-UHFFFAOYSA-N 0 0 310.275 3.466 20 10 DGCDRN CCC1(CC)CN(C(=O)NCCCSc2nccs2)C1 ZINC000838517642 621262308 /nfs/dbraw/zinc/26/23/08/621262308.db2.gz ZCCASCSKIUZCNV-UHFFFAOYSA-N 0 0 313.492 3.457 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(N(C)C)cc1 ZINC000838559786 621263013 /nfs/dbraw/zinc/26/30/13/621263013.db2.gz QEGVYGRJTDYZOM-YVVXQTMVSA-N 0 0 301.434 3.301 20 10 DGCDRN C[C@H](F)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000838619941 621265642 /nfs/dbraw/zinc/26/56/42/621265642.db2.gz PWNMAJYDDJRKSV-ZDUSSCGKSA-N 0 0 307.413 3.175 20 10 DGCDRN CC[C@H]1CCC[C@H]1CNC(=O)NCc1cccc(OC)c1O ZINC000838648314 621269189 /nfs/dbraw/zinc/26/91/89/621269189.db2.gz HFUXKVLRGXDRMV-STQMWFEESA-N 0 0 306.406 3.026 20 10 DGCDRN Cc1cccc(O)c1C(=O)NCCCSc1nccs1 ZINC000859350316 621271422 /nfs/dbraw/zinc/27/14/22/621271422.db2.gz AAICKNHDRUUNHR-UHFFFAOYSA-N 0 0 308.428 3.069 20 10 DGCDRN CC[C@H](NC(=O)NCc1cccc(OC)c1O)C1CCCC1 ZINC000838706267 621272368 /nfs/dbraw/zinc/27/23/68/621272368.db2.gz YEXKCFWPOUYHFF-AWEZNQCLSA-N 0 0 306.406 3.169 20 10 DGCDRN CCOc1cccc(CN2CC(OC)(c3ccccc3)C2)c1O ZINC000839100359 621328838 /nfs/dbraw/zinc/32/88/38/621328838.db2.gz VOLXRYPUGMWWBB-UHFFFAOYSA-N 0 0 313.397 3.148 20 10 DGCDRN COCC1(C)CN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000839144520 621332282 /nfs/dbraw/zinc/33/22/82/621332282.db2.gz YMIMCLGLOTXMIL-UHFFFAOYSA-N 0 0 316.367 3.240 20 10 DGCDRN Cc1cc(Br)cc(CN2CC(C(F)F)C2)c1O ZINC000839141636 621340388 /nfs/dbraw/zinc/34/03/88/621340388.db2.gz UPJPWJXNTSSTNA-UHFFFAOYSA-N 0 0 306.150 3.160 20 10 DGCDRN CC[C@@H]1C[C@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000839298066 621355479 /nfs/dbraw/zinc/35/54/79/621355479.db2.gz LHCVJLRTKFOITB-CHWSQXEVSA-N 0 0 306.369 3.381 20 10 DGCDRN C/C(=C\C(=O)N1CCCc2ccc(F)c(C)c21)c1cnccn1 ZINC000839438315 621373898 /nfs/dbraw/zinc/37/38/98/621373898.db2.gz JDHZPNUESIOFIJ-ZRDIBKRKSA-N 0 0 311.360 3.307 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@]2(F)c2ccccc2)cc1 ZINC000839469552 621379111 /nfs/dbraw/zinc/37/91/11/621379111.db2.gz LEHUDWXZPWXQJF-PKOBYXMFSA-N 0 0 312.388 3.254 20 10 DGCDRN O=C(NCc1ccccc1O)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000860233695 621384858 /nfs/dbraw/zinc/38/48/58/621384858.db2.gz NXRYDHVZYYEXCK-HYVNUMGLSA-N 0 0 313.784 3.248 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)OC[C@H]2CCCO2)C2CC2)cc1 ZINC000804960248 621390990 /nfs/dbraw/zinc/39/09/90/621390990.db2.gz MSFSAGMDXYEZJR-QGZVFWFLSA-N 0 0 318.417 3.033 20 10 DGCDRN CC[C@H](C)c1nnc([C@H](C)NCc2ccc(N(C)C)c(F)c2)[nH]1 ZINC000752924597 621416114 /nfs/dbraw/zinc/41/61/14/621416114.db2.gz HTYTWOZOCSUMII-RYUDHWBXSA-N 0 0 319.428 3.374 20 10 DGCDRN CN1CCCc2cc(CNC(=O)NCCC3=CCCC3)ccc21 ZINC000753112577 621425920 /nfs/dbraw/zinc/42/59/20/621425920.db2.gz SEWXLVQEAAYXIW-UHFFFAOYSA-N 0 0 313.445 3.369 20 10 DGCDRN C[C@@H](NC(=O)N1CC(C)(C)OC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000753202916 621430720 /nfs/dbraw/zinc/43/07/20/621430720.db2.gz HDMGRTOXEFNQRH-UONOGXRCSA-N 0 0 319.449 3.023 20 10 DGCDRN COC(=O)Nc1ccc(NC(=O)C2=CC(=O)CS2)cc1F ZINC000753467668 621441817 /nfs/dbraw/zinc/44/18/17/621441817.db2.gz NPJPCVPBGSAZNB-UHFFFAOYSA-N 0 0 310.306 3.023 20 10 DGCDRN COc1ccc(C2(CNC(=O)C3=CC(=O)CS3)CCC2)cc1 ZINC000753521762 621445765 /nfs/dbraw/zinc/44/57/65/621445765.db2.gz KLECDPHXSJYIQX-UHFFFAOYSA-N 0 0 317.410 3.314 20 10 DGCDRN C[C@@H]1COCCN1Cc1ccc(OCc2ccccc2)cc1O ZINC000753533781 621446856 /nfs/dbraw/zinc/44/68/56/621446856.db2.gz CHCYNYCPGYQHNE-OAHLLOKOSA-N 0 0 313.397 3.192 20 10 DGCDRN COC(=O)COc1ccc(N(C)[C@@H](C)Cc2ccsc2)cc1 ZINC000753592615 621452479 /nfs/dbraw/zinc/45/24/79/621452479.db2.gz ZHKYURYXBSUVIO-ZDUSSCGKSA-N 0 0 319.426 3.367 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc3c(c2)CCOC3)c1 ZINC000861211663 621492408 /nfs/dbraw/zinc/49/24/08/621492408.db2.gz JJMNNZMGMFKVPC-UHFFFAOYSA-N 0 0 312.369 3.095 20 10 DGCDRN Cc1cc(C)c(O)c(CN2C[C@@H](C)O[C@H](C(F)(F)F)C2)c1 ZINC000754736845 621529433 /nfs/dbraw/zinc/52/94/33/621529433.db2.gz NWLNAILVGIYEDQ-YPMHNXCESA-N 0 0 303.324 3.161 20 10 DGCDRN O=[N+]([O-])c1cccc2c1CCN2Cc1c(O)ccc2ccncc21 ZINC000754775473 621532166 /nfs/dbraw/zinc/53/21/66/621532166.db2.gz BDABRWNJYJWWLD-UHFFFAOYSA-N 0 0 321.336 3.411 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC(C3CC3)C2)c1 ZINC000861787285 621537699 /nfs/dbraw/zinc/53/76/99/621537699.db2.gz GTCQHWGTBJSEDO-UHFFFAOYSA-N 0 0 322.408 3.389 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC3(CC3)C2)cc1 ZINC000861854710 621541116 /nfs/dbraw/zinc/54/11/16/621541116.db2.gz QFAVODMPMCBLDV-UHFFFAOYSA-N 0 0 322.408 3.072 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@@H](F)C1 ZINC000861861143 621541507 /nfs/dbraw/zinc/54/15/07/621541507.db2.gz FGGUFEFIMYNQPQ-OAHLLOKOSA-N 0 0 314.360 3.091 20 10 DGCDRN CCCCCCOCC(=O)NCc1ccc2cccnc2c1O ZINC000862028378 621551104 /nfs/dbraw/zinc/55/11/04/621551104.db2.gz XCQNHFNJPPBNKM-UHFFFAOYSA-N 0 0 316.401 3.154 20 10 DGCDRN CC(C)[C@@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000755173564 621556956 /nfs/dbraw/zinc/55/69/56/621556956.db2.gz AKMCOUPHJIFTJW-QGZVFWFLSA-N 0 0 313.445 3.250 20 10 DGCDRN CN(C)c1cc(F)c(CN2CCc3ncsc3C2)cc1F ZINC000862336386 621574879 /nfs/dbraw/zinc/57/48/79/621574879.db2.gz GEOVBQKLMVSHDO-UHFFFAOYSA-N 0 0 309.385 3.046 20 10 DGCDRN C[C@H]1COC(C)(C)CN1Cc1c(O)cccc1Br ZINC000862344260 621576143 /nfs/dbraw/zinc/57/61/43/621576143.db2.gz OBIHAJVNYALOMC-JTQLQIEISA-N 0 0 314.223 3.154 20 10 DGCDRN Cc1ccncc1CN(C)Cc1cc(F)c(N(C)C)cc1F ZINC000862350941 621576323 /nfs/dbraw/zinc/57/63/23/621576323.db2.gz JULNSVHQMZNBHT-UHFFFAOYSA-N 0 0 305.372 3.366 20 10 DGCDRN C[C@@H]1CC2(C[N@@H+]1Cc1cc(F)c(N(C)C)cc1F)CCOCC2 ZINC000862400023 621585077 /nfs/dbraw/zinc/58/50/77/621585077.db2.gz KRNXQDSTUCYBDP-CYBMUJFWSA-N 0 0 324.415 3.422 20 10 DGCDRN COc1c([O-])c(C[NH2+]CC[C@@H]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000862498472 621596080 /nfs/dbraw/zinc/59/60/80/621596080.db2.gz JSEJCYSKXUATLI-GFCCVEGCSA-N 0 0 306.362 3.145 20 10 DGCDRN O=C(N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)C1=CC(=O)CS1 ZINC000862530758 621597385 /nfs/dbraw/zinc/59/73/85/621597385.db2.gz SJAGVMVKZUSPOL-KWCYVHTRSA-N 0 0 305.786 3.175 20 10 DGCDRN CC[C@H]1CCCC[C@H]1OCC(=O)NCc1cc(C)ccc1O ZINC000862757296 621613814 /nfs/dbraw/zinc/61/38/14/621613814.db2.gz OGDJOVJCEUAWAT-WMLDXEAASA-N 0 0 305.418 3.302 20 10 DGCDRN Cc1cc(C(=O)NCc2cc(C)ccc2O)nn1[C@@H](C)C1CC1 ZINC000862757047 621613909 /nfs/dbraw/zinc/61/39/09/621613909.db2.gz FKCUCQIDPRLZDP-ZDUSSCGKSA-N 0 0 313.401 3.107 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@H](C)OC2CCCCCC2)c1 ZINC000862758001 621614413 /nfs/dbraw/zinc/61/44/13/621614413.db2.gz LJEKAETYHKLUDT-AWEZNQCLSA-N 0 0 305.418 3.445 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)c1 ZINC000862760479 621614681 /nfs/dbraw/zinc/61/46/81/621614681.db2.gz RSTBTYUVQUSGDF-QWHCGFSZSA-N 0 0 317.335 3.399 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@@]23CCc2ccccc23)c1 ZINC000862760526 621614808 /nfs/dbraw/zinc/61/48/08/621614808.db2.gz UBVAPPAZRIZMTG-FXAWDEMLSA-N 0 0 307.393 3.221 20 10 DGCDRN COc1ccc(C(C)(C)NC(=O)C2=CC(=O)CS2)cc1F ZINC000862861231 621623656 /nfs/dbraw/zinc/62/36/56/621623656.db2.gz HAAGQQHZJXSSNI-UHFFFAOYSA-N 0 0 309.362 3.267 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cccnc1C(F)(F)F ZINC000119196115 621627778 /nfs/dbraw/zinc/62/77/78/621627778.db2.gz CUCNSJOSZBATIH-UHFFFAOYSA-N 0 0 310.275 3.078 20 10 DGCDRN C[C@@H]([NH2+]CCCOc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756365828 621631322 /nfs/dbraw/zinc/63/13/22/621631322.db2.gz PBBSQJBPRHQUKJ-CYBMUJFWSA-N 0 0 316.357 3.420 20 10 DGCDRN CC[C@H](C)C(=O)COC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000756372040 621632209 /nfs/dbraw/zinc/63/22/09/621632209.db2.gz PAWXUVZEYQSOMX-LBPRGKRZSA-N 0 0 314.385 3.261 20 10 DGCDRN CC(C)[C@@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])N1CCCC1 ZINC000756397927 621635251 /nfs/dbraw/zinc/63/52/51/621635251.db2.gz ANYLJJXAMUZNDC-CZUORRHYSA-N 0 0 321.421 3.071 20 10 DGCDRN CC(C)[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])N1CCCC1 ZINC000756398181 621635607 /nfs/dbraw/zinc/63/56/07/621635607.db2.gz CUJBYOIOEBKIDN-BLLLJJGKSA-N 0 0 312.404 3.441 20 10 DGCDRN COC[C@H](C)C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756464877 621640207 /nfs/dbraw/zinc/64/02/07/621640207.db2.gz IATSZCWWORVZES-RKDXNWHRSA-N 0 0 320.202 3.227 20 10 DGCDRN C[C@@H]([NH2+]CCc1cc(F)cc(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756510079 621643970 /nfs/dbraw/zinc/64/39/70/621643970.db2.gz GSSFOBPFVGRIHX-SNVBAGLBSA-N 0 0 322.311 3.472 20 10 DGCDRN Cc1cc(CNC(=O)Cc2ccon2)c(C)n1-c1cccc(C)c1 ZINC000863162015 621644295 /nfs/dbraw/zinc/64/42/95/621644295.db2.gz PMTAUEQAGSJOOL-UHFFFAOYSA-N 0 0 323.396 3.249 20 10 DGCDRN Cc1cc(CNC(=O)c2cn(C)nc2C)c(C)n1-c1ccccc1 ZINC000863165784 621644508 /nfs/dbraw/zinc/64/45/08/621644508.db2.gz NZEMZWGRRGZDAZ-UHFFFAOYSA-N 0 0 322.412 3.066 20 10 DGCDRN COC1(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)CCC1 ZINC000863165678 621644757 /nfs/dbraw/zinc/64/47/57/621644757.db2.gz KNSFVDDSPUYSNG-UHFFFAOYSA-N 0 0 312.413 3.279 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)c2c(C)noc2C)c1 ZINC000756576268 621650625 /nfs/dbraw/zinc/65/06/25/621650625.db2.gz ZBFCJGRSNYNDEM-VHSXEESVSA-N 0 0 318.373 3.195 20 10 DGCDRN CCCC[C@H](COC)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756584966 621651023 /nfs/dbraw/zinc/65/10/23/621651023.db2.gz HUOGCSTWLWFESY-GXTWGEPZSA-N 0 0 309.406 3.035 20 10 DGCDRN CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756604171 621652322 /nfs/dbraw/zinc/65/23/22/621652322.db2.gz MEGVKTDWLNXGEI-BLLLJJGKSA-N 0 0 310.394 3.138 20 10 DGCDRN CCSCC[C@H](C)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756618418 621653200 /nfs/dbraw/zinc/65/32/00/621653200.db2.gz PXNGTRYJTVLFFP-RYUDHWBXSA-N 0 0 311.447 3.361 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)CCCO)c1cc(Br)c(F)cc1[O-] ZINC000756647993 621655445 /nfs/dbraw/zinc/65/54/45/621655445.db2.gz VFWMNSJZZUZZMC-DTWKUNHWSA-N 0 0 320.202 3.105 20 10 DGCDRN COC(C)(C)C[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756648140 621655597 /nfs/dbraw/zinc/65/55/97/621655597.db2.gz YWMWCFKUHDICNS-QMMMGPOBSA-N 0 0 320.202 3.369 20 10 DGCDRN CC[C@@H](O)CC[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756657659 621656841 /nfs/dbraw/zinc/65/68/41/621656841.db2.gz FAECDOMEWUBJJE-RKDXNWHRSA-N 0 0 320.202 3.105 20 10 DGCDRN C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756678111 621658418 /nfs/dbraw/zinc/65/84/18/621658418.db2.gz UWHLHIGWZHVGGI-JRPNMDOOSA-N 0 0 320.345 3.056 20 10 DGCDRN C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1[O-] ZINC000756706681 621658781 /nfs/dbraw/zinc/65/87/81/621658781.db2.gz CORNWPIGZUVTIY-NSHDSACASA-N 0 0 320.320 3.169 20 10 DGCDRN C[C@@H]([NH2+]Cc1nc2cc(F)ccc2n1C)c1ccc(F)cc1[O-] ZINC000756733670 621661308 /nfs/dbraw/zinc/66/13/08/621661308.db2.gz RSGUKANVUXRQPP-SNVBAGLBSA-N 0 0 317.339 3.408 20 10 DGCDRN Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756735691 621661958 /nfs/dbraw/zinc/66/19/58/621661958.db2.gz GYTCIEMOMLXBQD-NOZJJQNGSA-N 0 0 313.369 3.425 20 10 DGCDRN Cc1cccc([C@@H](O)C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756762758 621662566 /nfs/dbraw/zinc/66/25/66/621662566.db2.gz RAHWXZPBWGQJSC-ZBEGNZNMSA-N 0 0 307.340 3.363 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1ccc(F)cc1[O-] ZINC000756760128 621662790 /nfs/dbraw/zinc/66/27/90/621662790.db2.gz IMYWOHPIMSBRNC-LRDDRELGSA-N 0 0 320.408 3.116 20 10 DGCDRN C[C@H]([NH2+]CCC[C@H]1CCCC[C@H]1O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756758439 621662991 /nfs/dbraw/zinc/66/29/91/621662991.db2.gz GUAYQSMRKKOWCB-WOSRLPQWSA-N 0 0 322.405 3.282 20 10 DGCDRN C[C@H]([NH2+]CCc1cnc(C2CC2)nc1)c1cc(F)cc(F)c1[O-] ZINC000756768584 621663270 /nfs/dbraw/zinc/66/32/70/621663270.db2.gz FDOHOTRZCPTCTQ-JTQLQIEISA-N 0 0 319.355 3.231 20 10 DGCDRN C[C@@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000756771331 621663545 /nfs/dbraw/zinc/66/35/45/621663545.db2.gz VKXKXBDQAWILPS-ADLMAVQZSA-N 0 0 319.351 3.155 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCSCC(C)C)c1 ZINC000756775792 621663689 /nfs/dbraw/zinc/66/36/89/621663689.db2.gz KLGKORZUNFXHNU-GFCCVEGCSA-N 0 0 311.447 3.219 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1cc(F)cc(F)c1[O-] ZINC000756787777 621664852 /nfs/dbraw/zinc/66/48/52/621664852.db2.gz RTODRVPFEFIGSK-CMPLNLGQSA-N 0 0 313.344 3.007 20 10 DGCDRN C[C@@H](Nc1cccc(OCC(N)=O)c1)c1cc(Cl)ccc1O ZINC000756802631 621665852 /nfs/dbraw/zinc/66/58/52/621665852.db2.gz SWWBAKGCUDRBPR-SNVBAGLBSA-N 0 0 320.776 3.083 20 10 DGCDRN Cc1cc(C(=O)NCC2COC2)c(C)n1-c1ccc(Cl)cc1 ZINC000863352582 621666497 /nfs/dbraw/zinc/66/64/97/621666497.db2.gz HGISAMJSQFSEOJ-UHFFFAOYSA-N 0 0 318.804 3.124 20 10 DGCDRN COC(=O)c1ccc(CN2CCc3cc(OC)ccc32)cc1F ZINC000756823376 621666681 /nfs/dbraw/zinc/66/66/81/621666681.db2.gz LRVKSZOXDVGEAL-UHFFFAOYSA-N 0 0 315.344 3.184 20 10 DGCDRN COCC1([NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])CC1 ZINC000756851781 621668108 /nfs/dbraw/zinc/66/81/08/621668108.db2.gz VEOYNWPPYIVIPE-MRVPVSSYSA-N 0 0 318.186 3.123 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCC23CCC(CC2)C3)cc1 ZINC000756918905 621672880 /nfs/dbraw/zinc/67/28/80/621672880.db2.gz XDTDTBQKSBTZQL-UHFFFAOYSA-N 0 0 301.434 3.132 20 10 DGCDRN CCc1csc(N2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000756954156 621675002 /nfs/dbraw/zinc/67/50/02/621675002.db2.gz IUAKEWFEEVWGBS-UHFFFAOYSA-N 0 0 303.431 3.041 20 10 DGCDRN COc1ccc(N2CCCN(c3nc(C)c(C)s3)CC2)cc1 ZINC000756961659 621675867 /nfs/dbraw/zinc/67/58/67/621675867.db2.gz SJVMXSOVAAPBHF-UHFFFAOYSA-N 0 0 317.458 3.485 20 10 DGCDRN CCN(C)c1ccc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)cc1 ZINC000863475142 621676586 /nfs/dbraw/zinc/67/65/86/621676586.db2.gz IOFDCINZYWSQNN-FGTMMUONSA-N 0 0 316.445 3.218 20 10 DGCDRN CC[C@H]1CCC[C@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000756985561 621677294 /nfs/dbraw/zinc/67/72/94/621677294.db2.gz HLGJUPLCTBHZRH-DZGCQCFKSA-N 0 0 307.413 3.270 20 10 DGCDRN CC[C@@H]1CCC[C@@H]1NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000756986645 621677558 /nfs/dbraw/zinc/67/75/58/621677558.db2.gz QFECKLVZPQFFBF-JMSVASOKSA-N 0 0 306.406 3.340 20 10 DGCDRN CC[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000863547241 621683039 /nfs/dbraw/zinc/68/30/39/621683039.db2.gz QKOORMGYOQGICM-AQUOVQTQSA-N 0 0 303.233 3.490 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H]1COc1ccc(F)cc1 ZINC000888522421 621685106 /nfs/dbraw/zinc/68/51/06/621685106.db2.gz MXQPDSUXSGCSNZ-LBPRGKRZSA-N 0 0 321.373 3.276 20 10 DGCDRN O=C(NCc1ccccc1O)C(F)(F)c1c(F)cccc1F ZINC000757101176 621686513 /nfs/dbraw/zinc/68/65/13/621686513.db2.gz PCCNDQMKXBPFJE-UHFFFAOYSA-N 0 0 313.250 3.079 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C=C\c1cccnc1)CCCC2 ZINC000757181096 621692116 /nfs/dbraw/zinc/69/21/16/621692116.db2.gz DQQPVUNUISTWFY-YFHOEESVSA-N 0 0 308.381 3.473 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2cccc(F)c2)c1 ZINC000103509358 621697782 /nfs/dbraw/zinc/69/77/82/621697782.db2.gz NRGXAHVYHBARHI-LLVKDONJSA-N 0 0 318.348 3.100 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cnc(C(C)=O)s1 ZINC000839621705 621701342 /nfs/dbraw/zinc/70/13/42/621701342.db2.gz LCXUPDCZLIEISH-UHFFFAOYSA-N 0 0 318.398 3.104 20 10 DGCDRN COc1cc2c(c(OC)c1)N(Cc1ccc(F)cn1)CCC2 ZINC000839656098 621704195 /nfs/dbraw/zinc/70/41/95/621704195.db2.gz GXCPOISAFKKLGP-UHFFFAOYSA-N 0 0 302.349 3.191 20 10 DGCDRN COc1cc2c(c(OC)c1)N(C[C@@H]1CCO[C@H](C)C1)CCC2 ZINC000839656411 621704328 /nfs/dbraw/zinc/70/43/28/621704328.db2.gz KFJXJHAVPAAOPP-ZIAGYGMSSA-N 0 0 305.418 3.272 20 10 DGCDRN COc1cc2c(c(OC)c1)N(C[C@@H]1CCO[C@@H](C)C1)CCC2 ZINC000839656410 621704465 /nfs/dbraw/zinc/70/44/65/621704465.db2.gz KFJXJHAVPAAOPP-UONOGXRCSA-N 0 0 305.418 3.272 20 10 DGCDRN COC1([C@H](C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2[O-])CCC1 ZINC000839658079 621704814 /nfs/dbraw/zinc/70/48/14/621704814.db2.gz ASNPTKGMJIAGIQ-NSHDSACASA-N 0 0 311.809 3.295 20 10 DGCDRN COc1cc2c(c(OC)c1)N(Cc1noc(C(C)C)n1)CCC2 ZINC000839656969 621705026 /nfs/dbraw/zinc/70/50/26/621705026.db2.gz XFXZMOMDMCQNEU-UHFFFAOYSA-N 0 0 317.389 3.163 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cncc3ccccc32)c1 ZINC000103529438 621712205 /nfs/dbraw/zinc/71/22/05/621712205.db2.gz HATZKBGZAMKCSQ-GFCCVEGCSA-N 0 0 322.364 3.440 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC2CCCCCC2)c1 ZINC000103594678 621725086 /nfs/dbraw/zinc/72/50/86/621725086.db2.gz KNZIYRVBXIONHA-GFCCVEGCSA-N 0 0 306.406 3.484 20 10 DGCDRN CCC[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000757584650 621726765 /nfs/dbraw/zinc/72/67/65/621726765.db2.gz SMDZVQILSIQFDK-INIZCTEOSA-N 0 0 303.450 3.474 20 10 DGCDRN CN=[S@@](C)(=O)c1cccc(NCc2cc(F)ccc2O)c1 ZINC000864014918 621727604 /nfs/dbraw/zinc/72/76/04/621727604.db2.gz ZZJZYFIBUGFYAP-NRFANRHFSA-N 0 0 308.378 3.230 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000757666394 621732543 /nfs/dbraw/zinc/73/25/43/621732543.db2.gz SOWPLMMIBLGXDD-IUODEOHRSA-N 0 0 321.367 3.315 20 10 DGCDRN COC(=O)c1cc(CN(C)c2ccc(OC)c(F)c2)c(C)o1 ZINC000757851929 621742855 /nfs/dbraw/zinc/74/28/55/621742855.db2.gz HNLHRVVFYFNSHK-UHFFFAOYSA-N 0 0 307.321 3.159 20 10 DGCDRN CC1(CC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000757856479 621743536 /nfs/dbraw/zinc/74/35/36/621743536.db2.gz ZUCKLUZYIDOASZ-UHFFFAOYSA-N 0 0 304.459 3.046 20 10 DGCDRN COc1ccc(N(C)C[C@H]2COc3ccccc3O2)cc1F ZINC000758143369 621761527 /nfs/dbraw/zinc/76/15/27/621761527.db2.gz UZGFKNBNGWQGLG-ZDUSSCGKSA-N 0 0 303.333 3.111 20 10 DGCDRN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)cc2F)c1 ZINC000758169377 621762845 /nfs/dbraw/zinc/76/28/45/621762845.db2.gz RATLLLPEQUGXGA-UHFFFAOYSA-N 0 0 315.753 3.294 20 10 DGCDRN Cc1ccc(OCC(=O)NCc2ccc(N(C)C)cc2)c(C)c1 ZINC000015134821 621767694 /nfs/dbraw/zinc/76/76/94/621767694.db2.gz BLAALGKERHNZAO-UHFFFAOYSA-N 0 0 312.413 3.065 20 10 DGCDRN C[C@@H]1CC[C@H](NC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000758320852 621774771 /nfs/dbraw/zinc/77/47/71/621774771.db2.gz ZMKOERFHWOABSG-YCPHGPKFSA-N 0 0 303.450 3.377 20 10 DGCDRN CCC(C)(C)[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)C(=O)[O-] ZINC000864517843 621777006 /nfs/dbraw/zinc/77/70/06/621777006.db2.gz ZOOHJGXMCBFHPA-AWEZNQCLSA-N 0 0 314.376 3.010 20 10 DGCDRN CN(C)c1ccc(C[NH2+][C@H](CC(=O)[O-])C2CCCCC2)cc1 ZINC000864519206 621778003 /nfs/dbraw/zinc/77/80/03/621778003.db2.gz HZXHJGZXAWQDPH-QGZVFWFLSA-N 0 0 304.434 3.266 20 10 DGCDRN CCn1ccnc1CNc1ccccc1OC[C@H]1CCCCO1 ZINC000758414009 621780985 /nfs/dbraw/zinc/78/09/85/621780985.db2.gz OVYKYCMITJANBT-OAHLLOKOSA-N 0 0 315.417 3.463 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2scnc2C(F)F)cc1 ZINC000864572853 621787112 /nfs/dbraw/zinc/78/71/12/621787112.db2.gz AHUAFXMWRFCJFN-UHFFFAOYSA-N 0 0 311.357 3.077 20 10 DGCDRN CCC(C)(C)CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000758543413 621787398 /nfs/dbraw/zinc/78/73/98/621787398.db2.gz FRECVJAAEGQUDA-UHFFFAOYSA-N 0 0 303.450 3.304 20 10 DGCDRN CC(C)Oc1cccc(COC(=O)c2cccc(O)c2O)c1 ZINC000758545711 621787971 /nfs/dbraw/zinc/78/79/71/621787971.db2.gz AFDDVGRAUSNMFO-UHFFFAOYSA-N 0 0 302.326 3.242 20 10 DGCDRN C[C@@H](OC(=O)c1cccc(O)c1O)C(=O)c1ccc(Cl)cc1 ZINC000758545754 621788108 /nfs/dbraw/zinc/78/81/08/621788108.db2.gz BWPMDRKQIZYSGX-SECBINFHSA-N 0 0 320.728 3.179 20 10 DGCDRN CC(C)[C@@H](OC(=O)c1cccc(O)c1O)C(=O)c1ccccc1 ZINC000758548160 621788549 /nfs/dbraw/zinc/78/85/49/621788549.db2.gz POPNDIUOYQYLCN-QGZVFWFLSA-N 0 0 314.337 3.162 20 10 DGCDRN O=C(OCc1nc(Cl)ccc1Cl)c1cccc(O)c1O ZINC000758557929 621789045 /nfs/dbraw/zinc/78/90/45/621789045.db2.gz LTGOIRGGNFUWLR-UHFFFAOYSA-N 0 0 314.124 3.157 20 10 DGCDRN O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(O)c1O ZINC000758560952 621789515 /nfs/dbraw/zinc/78/95/15/621789515.db2.gz ZCZZGVYCQXAFGQ-UHFFFAOYSA-N 0 0 323.688 3.016 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1nc(Cl)ccc1F ZINC000759112830 621825891 /nfs/dbraw/zinc/82/58/91/621825891.db2.gz BPQJXHHBXURUCK-UHFFFAOYSA-N 0 0 321.783 3.179 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ncc2ccccn21 ZINC000865027082 621848205 /nfs/dbraw/zinc/84/82/05/621848205.db2.gz GQTJRWHTLMNKJT-UHFFFAOYSA-N 0 0 322.412 3.063 20 10 DGCDRN CSc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)co1 ZINC000865050255 621852839 /nfs/dbraw/zinc/85/28/39/621852839.db2.gz CRFFGVNOOVBCJE-UHFFFAOYSA-N 0 0 308.378 3.137 20 10 DGCDRN CN1CCCc2cc(CNC(=O)C3(C(F)F)CCC3)ccc21 ZINC000865054056 621853274 /nfs/dbraw/zinc/85/32/74/621853274.db2.gz OQJZUUUVOIGFBF-UHFFFAOYSA-N 0 0 308.372 3.121 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1CCc2ccccc2C1 ZINC000759589787 621873794 /nfs/dbraw/zinc/87/37/94/621873794.db2.gz SUSAAVNMNULICY-VSGCLNPGSA-N 0 0 324.376 3.459 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCCCc1ccsc1 ZINC000759593035 621873859 /nfs/dbraw/zinc/87/38/59/621873859.db2.gz IIZPNAHNJNJFCR-GQCTYLIASA-N 0 0 304.367 3.349 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1nnc([C@@H]2CCCO2)s1 ZINC000865295879 621892557 /nfs/dbraw/zinc/89/25/57/621892557.db2.gz OHXFZNJUULRYLD-AWEZNQCLSA-N 0 0 318.446 3.376 20 10 DGCDRN CC(C)Oc1ccc(N(C)CC(=O)Nc2ccc(O)cc2)cc1 ZINC000759934480 621904035 /nfs/dbraw/zinc/90/40/35/621904035.db2.gz WNGQETSMWNADFJ-UHFFFAOYSA-N 0 0 314.385 3.254 20 10 DGCDRN O=C([C@H]1CC12CCC2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000760124798 621915993 /nfs/dbraw/zinc/91/59/93/621915993.db2.gz MAMXTNQPRZUWRZ-HZPDHXFCSA-N 0 0 315.413 3.090 20 10 DGCDRN O=C([C@@H]1CC12CCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000760124797 621916080 /nfs/dbraw/zinc/91/60/80/621916080.db2.gz MAMXTNQPRZUWRZ-HOTGVXAUSA-N 0 0 315.413 3.090 20 10 DGCDRN C[C@H]1CN(C(=O)C2=CC(=O)CS2)C[C@@H](c2ccsc2)O1 ZINC000760140192 621917045 /nfs/dbraw/zinc/91/70/45/621917045.db2.gz GGHBFDNQLMQQDL-CABZTGNLSA-N 0 0 309.412 3.117 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C[C@@H]1CCOC1 ZINC000760192113 621920004 /nfs/dbraw/zinc/92/00/04/621920004.db2.gz FYIAHBGKJXYSHF-GJZGRUSLSA-N 0 0 320.433 3.129 20 10 DGCDRN CCOC(=O)/C(=C/c1cnc(C2CCC2)s1)c1nccn1C ZINC000760265514 621926060 /nfs/dbraw/zinc/92/60/60/621926060.db2.gz PCNAYCGMXMFPMV-UKTHLTGXSA-N 0 0 317.414 3.248 20 10 DGCDRN CSCC[C@@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000120562443 621927247 /nfs/dbraw/zinc/92/72/47/621927247.db2.gz PANCWXCUYGVFPE-GFCCVEGCSA-N 0 0 317.458 3.361 20 10 DGCDRN CN(C)c1ccc(CNc2ccc3oc(=O)[nH]c3c2)cc1F ZINC000789561454 625525953 /nfs/dbraw/zinc/52/59/53/625525953.db2.gz DMVBRZSTVUUVGT-UHFFFAOYSA-N 0 0 301.321 3.351 20 10 DGCDRN CCCC1(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000760401303 621938436 /nfs/dbraw/zinc/93/84/36/621938436.db2.gz ULBBIUAMWCXETI-OAHLLOKOSA-N 0 0 316.445 3.281 20 10 DGCDRN COc1ccc(O)c([C@H](C)Nc2nc(C(C)(C)OC)ns2)c1 ZINC000865507849 621938788 /nfs/dbraw/zinc/93/87/88/621938788.db2.gz JRSYBBBHEOTRJB-VIFPVBQESA-N 0 0 323.418 3.307 20 10 DGCDRN CCO[C@@H](CC(=O)NCc1ccc2c(c1)CCCN2C)C(C)C ZINC000760474260 621943354 /nfs/dbraw/zinc/94/33/54/621943354.db2.gz MCEWODKPRDGTBO-SFHVURJKSA-N 0 0 318.461 3.136 20 10 DGCDRN COc1nc(C)cc(N2CC=C(c3ccc(Cl)nc3)CC2)n1 ZINC000760578871 621951975 /nfs/dbraw/zinc/95/19/75/621951975.db2.gz HOPVNFJVINLMPK-UHFFFAOYSA-N 0 0 316.792 3.136 20 10 DGCDRN Cc1cccc2c1CN(C(=O)/C=C/c1ccc(O)c(O)c1)CC2 ZINC000760671125 621957220 /nfs/dbraw/zinc/95/72/20/621957220.db2.gz YDQKNJRDEOFVLC-SOFGYWHQSA-N 0 0 309.365 3.004 20 10 DGCDRN C[C@@H](NC(=O)NCCCSc1nccs1)c1ccc[nH]1 ZINC000760840897 621967753 /nfs/dbraw/zinc/96/77/53/621967753.db2.gz JFDJAEXYDPOXFI-SNVBAGLBSA-N 0 0 310.448 3.014 20 10 DGCDRN C[C@H](Nc1nccc(-c2ccnn2C)n1)c1ccc(N(C)C)cc1 ZINC000865685155 621977507 /nfs/dbraw/zinc/97/75/07/621977507.db2.gz UGADEECQRGUHDW-ZDUSSCGKSA-N 0 0 322.416 3.116 20 10 DGCDRN COc1ccc(N(C)Cc2ccc(N(C)C)cc2)cc1OC ZINC000761221881 621995101 /nfs/dbraw/zinc/99/51/01/621995101.db2.gz LTQGFILRSOWCQN-UHFFFAOYSA-N 0 0 300.402 3.406 20 10 DGCDRN CCn1nc(C)c(NCc2cc(Cl)cc(OC)c2O)c1C ZINC000761216835 621995310 /nfs/dbraw/zinc/99/53/10/621995310.db2.gz QGWIQINEJHUNNI-UHFFFAOYSA-N 0 0 309.797 3.500 20 10 DGCDRN COc1ccc(CN(C)c2ccc(OC)c(OC)c2)cc1O ZINC000761219697 621995402 /nfs/dbraw/zinc/99/54/02/621995402.db2.gz AXKJAJNRURHVAF-UHFFFAOYSA-N 0 0 303.358 3.054 20 10 DGCDRN COc1ccc(N(C)Cc2cccc3c2OCO3)cc1OC ZINC000761222086 621995413 /nfs/dbraw/zinc/99/54/13/621995413.db2.gz QIRMQMOBZJWLKA-UHFFFAOYSA-N 0 0 301.342 3.069 20 10 DGCDRN C[C@]1(CCCO)CCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000809756353 621999970 /nfs/dbraw/zinc/99/99/70/621999970.db2.gz GNVWTXCBSFCVEE-OAHLLOKOSA-N 0 0 301.789 3.312 20 10 DGCDRN Oc1cc2c(cc1CN[C@H](CF)c1ccc(F)cc1)OCO2 ZINC000865822566 622001540 /nfs/dbraw/zinc/00/15/40/622001540.db2.gz KOQUNNLZPLQEBE-CYBMUJFWSA-N 0 0 307.296 3.060 20 10 DGCDRN CCO[C@H](CC(=O)NCc1c(O)ccc2c1CCCC2)C(C)C ZINC000761569764 622018115 /nfs/dbraw/zinc/01/81/15/622018115.db2.gz SCDXSPFGIGSMPE-GOSISDBHSA-N 0 0 319.445 3.338 20 10 DGCDRN CC(C)C[C@H]1C(=O)N([C@H](C)c2ccc(N(C)C)cc2)C(=O)N1C ZINC000761576030 622018480 /nfs/dbraw/zinc/01/84/80/622018480.db2.gz AAYDJZOMXKAUBS-CJNGLKHVSA-N 0 0 317.433 3.122 20 10 DGCDRN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@@H](c2ccccc2)C1=O ZINC000761580438 622019009 /nfs/dbraw/zinc/01/90/09/622019009.db2.gz UEKSSSAIWOXGRX-DYVFJYSZSA-N 0 0 323.396 3.107 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC2(C3CC3)CC2)cc1F ZINC000761683791 622023986 /nfs/dbraw/zinc/02/39/86/622023986.db2.gz SRXISLIOAJIYEY-UHFFFAOYSA-N 0 0 319.424 3.414 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](C)n1nc(C)cc1C ZINC000761749494 622027821 /nfs/dbraw/zinc/02/78/21/622027821.db2.gz FOXKESMPYQJFAQ-HNNXBMFYSA-N 0 0 315.417 3.205 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ccc(-c2cc[nH]n2)s1 ZINC000762047655 622048305 /nfs/dbraw/zinc/04/83/05/622048305.db2.gz CUDIXIHCLSRXJD-UHFFFAOYSA-N 0 0 313.382 3.116 20 10 DGCDRN C[C@@H](NC(=O)Nc1ccc2c(c1)N(C)CC2)c1ccccc1O ZINC000866161869 622057099 /nfs/dbraw/zinc/05/70/99/622057099.db2.gz YNCSREVBOOIREV-GFCCVEGCSA-N 0 0 311.385 3.267 20 10 DGCDRN Cc1cccc2cc(C(=O)NCCc3ccc(O)c(O)c3)oc21 ZINC000762262158 622066494 /nfs/dbraw/zinc/06/64/94/622066494.db2.gz ROSOHLGIESHZKH-UHFFFAOYSA-N 0 0 311.337 3.125 20 10 DGCDRN COc1ccc(CN2CCOc3cc(N(C)C)ccc32)cc1F ZINC000762347031 622069782 /nfs/dbraw/zinc/06/97/82/622069782.db2.gz PKDQEHXMERNGGC-UHFFFAOYSA-N 0 0 316.376 3.299 20 10 DGCDRN CCOc1cccc(CNc2ccccc2C[S@@](C)=O)c1O ZINC000762790268 622098582 /nfs/dbraw/zinc/09/85/82/622098582.db2.gz CWRULXLCZPRPIG-JOCHJYFZSA-N 0 0 319.426 3.282 20 10 DGCDRN C[C@H]([NH2+]CC[C@H](O)C(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000866442106 622118594 /nfs/dbraw/zinc/11/85/94/622118594.db2.gz DRIXSWIYLRIYPJ-RCOVLWMOSA-N 0 0 314.159 3.366 20 10 DGCDRN CC(C)n1cccc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000121069533 622118794 /nfs/dbraw/zinc/11/87/94/622118794.db2.gz DWGOKCNRSDSYRH-UHFFFAOYSA-N 0 0 303.381 3.204 20 10 DGCDRN CCC(C)(CC)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000763075411 622121570 /nfs/dbraw/zinc/12/15/70/622121570.db2.gz CGUGROPPNRTKLK-UHFFFAOYSA-N 0 0 303.450 3.447 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC[C@@H]2CCCS2)c1 ZINC000866481744 622125218 /nfs/dbraw/zinc/12/52/18/622125218.db2.gz VRJZTGYQKAGQTK-AAEUAGOBSA-N 0 0 309.431 3.115 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC[C@H]2CCCS2)c1 ZINC000866481745 622125467 /nfs/dbraw/zinc/12/54/67/622125467.db2.gz VRJZTGYQKAGQTK-DGCLKSJQSA-N 0 0 309.431 3.115 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1coc(C2CC2)n1 ZINC000763249491 622133461 /nfs/dbraw/zinc/13/34/61/622133461.db2.gz UECZHFXUVCDUFH-UHFFFAOYSA-N 0 0 313.401 3.280 20 10 DGCDRN Cn1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1 ZINC000763284401 622135629 /nfs/dbraw/zinc/13/56/29/622135629.db2.gz VDBGAUFNLZAKAY-ZROIWOOFSA-N 0 0 314.435 3.427 20 10 DGCDRN C[C@@H](NCc1nn(C)cc1C(F)F)c1ccc(N(C)C)cc1 ZINC000866563750 622139204 /nfs/dbraw/zinc/13/92/04/622139204.db2.gz QGGARJBFTSZWSQ-LLVKDONJSA-N 0 0 308.376 3.275 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CCOC(C)(C)[C@@H]2C)c1O ZINC000763415376 622144229 /nfs/dbraw/zinc/14/42/29/622144229.db2.gz JKIFWPZROZAMOY-NSHDSACASA-N 0 0 311.809 3.248 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCC(F)(F)C1 ZINC000763627597 622155795 /nfs/dbraw/zinc/15/57/95/622155795.db2.gz OXJAHOXFGRVLSL-CQSZACIVSA-N 0 0 321.371 3.050 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CCC(F)(F)C1 ZINC000763708667 622159296 /nfs/dbraw/zinc/15/92/96/622159296.db2.gz QUAKTQQFQVXGPH-LBPRGKRZSA-N 0 0 324.371 3.258 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCC(F)(F)C1 ZINC000763709302 622159629 /nfs/dbraw/zinc/15/96/29/622159629.db2.gz ULQIJFGNKVSGJR-ZDUSSCGKSA-N 0 0 311.376 3.048 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2coc(SC)c2)c1 ZINC000866765637 622163061 /nfs/dbraw/zinc/16/30/61/622163061.db2.gz XWVITJWOLODJBC-SECBINFHSA-N 0 0 307.371 3.207 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)cc1 ZINC000763926533 622169362 /nfs/dbraw/zinc/16/93/62/622169362.db2.gz SOFHBDLLOCNCTP-GOEBONIOSA-N 0 0 316.445 3.154 20 10 DGCDRN CO/C(=C\c1ccccc1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000763955059 622170940 /nfs/dbraw/zinc/17/09/40/622170940.db2.gz UMVYJZOBJCXLHE-AQTBWJFISA-N 0 0 310.397 3.056 20 10 DGCDRN COc1ccc(N(C)CC(=O)N(C2CC2)C2CCCC2)cc1F ZINC000121682014 622174284 /nfs/dbraw/zinc/17/42/84/622174284.db2.gz JQODOZZYCDAVIB-UHFFFAOYSA-N 0 0 320.408 3.204 20 10 DGCDRN Cc1cc(S(=O)(=O)N[C@@H](C)c2ccccc2O)c(C)s1 ZINC000867834610 622187482 /nfs/dbraw/zinc/18/74/82/622187482.db2.gz RVQUEBJMPWFRJP-JTQLQIEISA-N 0 0 311.428 3.110 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCC(=O)CCC1CCCC1 ZINC000764556884 622202730 /nfs/dbraw/zinc/20/27/30/622202730.db2.gz GXQFJYHMVJJZQQ-JXMROGBWSA-N 0 0 318.369 3.194 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cnn(CC)c1C ZINC000868109864 622215246 /nfs/dbraw/zinc/21/52/46/622215246.db2.gz LYPWXYFPADWSAM-UHFFFAOYSA-N 0 0 315.417 3.360 20 10 DGCDRN CCC1(c2ccccc2)CN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000839797350 622216679 /nfs/dbraw/zinc/21/66/79/622216679.db2.gz NRMAFYIJWTYWAH-UHFFFAOYSA-N 0 0 315.344 3.041 20 10 DGCDRN CO[C@H](CNC(=O)N[C@H](C)c1ccccc1O)c1ccccc1 ZINC000868129886 622216929 /nfs/dbraw/zinc/21/69/29/622216929.db2.gz UMNWMDKKIWFRHB-CXAGYDPISA-N 0 0 314.385 3.140 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1C[C@H]1c1cccc(F)c1)c1ccccc1O ZINC000868165222 622221160 /nfs/dbraw/zinc/22/11/60/622221160.db2.gz ZYEJTECMRHLWQG-UVBJJODRSA-N 0 0 314.360 3.448 20 10 DGCDRN COC(=O)c1nc(NCc2ccc(N(C)C)c(F)c2)sc1C ZINC000764807798 622222489 /nfs/dbraw/zinc/22/24/89/622222489.db2.gz VZJVDTLOOGUCGW-UHFFFAOYSA-N 0 0 323.393 3.055 20 10 DGCDRN CN(C)C(=O)Cc1ccc(NCc2cc(Cl)ccc2O)cc1 ZINC000122068494 622226223 /nfs/dbraw/zinc/22/62/23/622226223.db2.gz CHKJDOXGPJLCJH-UHFFFAOYSA-N 0 0 318.804 3.288 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(C(F)(F)F)CC1 ZINC000764894887 622230982 /nfs/dbraw/zinc/23/09/82/622230982.db2.gz MMRAEZOQSMWEMV-UHFFFAOYSA-N 0 0 314.351 3.444 20 10 DGCDRN COC(=O)c1nc(N[C@H](C)c2ccc(N(C)C)cc2)sc1C ZINC000764892877 622231045 /nfs/dbraw/zinc/23/10/45/622231045.db2.gz QAWFXBJCXUKUQU-SNVBAGLBSA-N 0 0 319.430 3.477 20 10 DGCDRN Oc1c(Br)cccc1CNc1cncc(Cl)n1 ZINC000764934341 622234135 /nfs/dbraw/zinc/23/41/35/622234135.db2.gz LIYFOBYOVOIELH-UHFFFAOYSA-N 0 0 314.570 3.210 20 10 DGCDRN COc1cc(N(C)CCCc2ccncc2)cc(OC)c1OC ZINC000764959399 622236304 /nfs/dbraw/zinc/23/63/04/622236304.db2.gz DGLCZYGGBHGHIC-UHFFFAOYSA-N 0 0 316.401 3.176 20 10 DGCDRN CC(C)[C@H]1OCCC[C@H]1CNC(=O)N[C@H](C)c1ccccc1O ZINC000868343113 622236680 /nfs/dbraw/zinc/23/66/80/622236680.db2.gz MGXSZSTYAIBCRV-JKIFEVAISA-N 0 0 320.433 3.204 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cc(C(C)C)on1 ZINC000122124777 622239183 /nfs/dbraw/zinc/23/91/83/622239183.db2.gz RUJQUSVOSJHMEI-UHFFFAOYSA-N 0 0 301.390 3.102 20 10 DGCDRN C[C@@H](NC(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1)c1ccccc1O ZINC000868460964 622245542 /nfs/dbraw/zinc/24/55/42/622245542.db2.gz IBVBZADYOCRQAH-WWGRRREGSA-N 0 0 320.433 3.346 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1)c1ccccc1O ZINC000868460963 622245587 /nfs/dbraw/zinc/24/55/87/622245587.db2.gz IBVBZADYOCRQAH-WOSRLPQWSA-N 0 0 320.433 3.346 20 10 DGCDRN CC(C)C[C@H]1C[C@H](NC(=O)N[C@H](C)c2ccccc2O)CCO1 ZINC000868479845 622247964 /nfs/dbraw/zinc/24/79/64/622247964.db2.gz LKCUIUHFTXQGDW-KFWWJZLASA-N 0 0 320.433 3.346 20 10 DGCDRN Cc1cnc([C@@H](C)CNC(=O)N[C@@H](C)c2ccccc2O)s1 ZINC000868498786 622250390 /nfs/dbraw/zinc/25/03/90/622250390.db2.gz AEYVAGZEYIRIML-JQWIXIFHSA-N 0 0 319.430 3.321 20 10 DGCDRN CSC1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000868515796 622253066 /nfs/dbraw/zinc/25/30/66/622253066.db2.gz SQGMNXYSMCDYNY-CYBMUJFWSA-N 0 0 321.490 3.351 20 10 DGCDRN C[C@@H](NC(=O)N[C@H]1c2ccccc2O[C@H]1C)c1ccccc1O ZINC000868617168 622264466 /nfs/dbraw/zinc/26/44/66/622264466.db2.gz ABRYQBFRDBEBNI-BWACUDIHSA-N 0 0 312.369 3.275 20 10 DGCDRN CC(C)[C@H]1C[C@@H](CNC(=O)N[C@@H](C)c2ccccc2O)CCO1 ZINC000868671722 622271444 /nfs/dbraw/zinc/27/14/44/622271444.db2.gz CMIOCPSQIUXEAU-GRDNDAEWSA-N 0 0 320.433 3.204 20 10 DGCDRN CS[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)c1ccccc1O ZINC000868740735 622279236 /nfs/dbraw/zinc/27/92/36/622279236.db2.gz RPLSQSOSKSBVON-NJZAAPMLSA-N 0 0 308.447 3.427 20 10 DGCDRN CCOc1ccc(CN2CCOc3ccc(OC)cc32)c(O)c1 ZINC000765650869 622279812 /nfs/dbraw/zinc/27/98/12/622279812.db2.gz GQJHRTVPRVRCAK-UHFFFAOYSA-N 0 0 315.369 3.199 20 10 DGCDRN CC[C@@H]1C[C@@H](CN2CCOc3cc(N(C)C)ccc32)CCO1 ZINC000765653597 622279841 /nfs/dbraw/zinc/27/98/41/622279841.db2.gz APBRVXDBFKUUGY-GOEBONIOSA-N 0 0 304.434 3.157 20 10 DGCDRN C[C@@H](NC(=O)N[C@H](C1CC1)[C@@H]1CCCCO1)c1ccccc1O ZINC000868750274 622280640 /nfs/dbraw/zinc/28/06/40/622280640.db2.gz ITHYMCUNPZZAPO-OAUYIBNBSA-N 0 0 318.417 3.100 20 10 DGCDRN CC[C@@H](NC(=O)N[C@H](C)c1ccccc1O)[C@@H]1CCCCO1 ZINC000868754259 622281615 /nfs/dbraw/zinc/28/16/15/622281615.db2.gz HLIQCOPCJIGJTJ-XPKDYRNWSA-N 0 0 306.406 3.100 20 10 DGCDRN Cc1cc(C(=O)NCc2cccc(Br)c2O)c(C)[nH]1 ZINC000765730475 622284485 /nfs/dbraw/zinc/28/44/85/622284485.db2.gz BQSMJRYVYUBHAU-UHFFFAOYSA-N 0 0 323.190 3.030 20 10 DGCDRN CCCC1(C(=O)NCc2cccc(Br)c2O)CC1 ZINC000765748670 622284718 /nfs/dbraw/zinc/28/47/18/622284718.db2.gz ZPQQPYDELLTCJS-UHFFFAOYSA-N 0 0 312.207 3.351 20 10 DGCDRN C[C@H](NC(=O)NCC(F)(F)C(C)(C)C)c1ccccc1O ZINC000868790094 622285376 /nfs/dbraw/zinc/28/53/76/622285376.db2.gz ZBAUJOQDFWXPGP-JTQLQIEISA-N 0 0 300.349 3.434 20 10 DGCDRN C[C@@H](NC(=O)NCC[C@@H]1CC1(Cl)Cl)c1ccccc1O ZINC000868796977 622286483 /nfs/dbraw/zinc/28/64/83/622286483.db2.gz ZNXDVGALXWXOTN-NXEZZACHSA-N 0 0 317.216 3.336 20 10 DGCDRN CCCN(CCC)c1ccc(CNCc2ccn(C)n2)cc1 ZINC000765787784 622287356 /nfs/dbraw/zinc/28/73/56/622287356.db2.gz BBSKJAHAPNJXSF-UHFFFAOYSA-N 0 0 300.450 3.336 20 10 DGCDRN CC(C)(C)c1ccc(CNC(=O)NCc2ccccc2O)o1 ZINC000869127627 622320108 /nfs/dbraw/zinc/32/01/08/622320108.db2.gz CTSKXMAOWHSBHA-UHFFFAOYSA-N 0 0 302.374 3.282 20 10 DGCDRN COc1cccc2c1N(Cc1cc3c(cc1O)OCO3)CCC2 ZINC000766338022 622322926 /nfs/dbraw/zinc/32/29/26/622322926.db2.gz UMZXPMANHCVREK-UHFFFAOYSA-N 0 0 313.353 3.082 20 10 DGCDRN COc1ccc(CNC(=S)Nc2cc(C)ccc2F)nc1 ZINC000766512322 622335330 /nfs/dbraw/zinc/33/53/30/622335330.db2.gz JZNGOYMSEXXRNW-UHFFFAOYSA-N 0 0 305.378 3.024 20 10 DGCDRN Cc1cc(C(=O)OC[C@@H](C)CO)c(C)n1-c1ccc(F)cc1 ZINC000766660868 622345253 /nfs/dbraw/zinc/34/52/53/622345253.db2.gz JOIZYNMHRIDABE-NSHDSACASA-N 0 0 305.349 3.018 20 10 DGCDRN C[C@@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@@H]1C ZINC000766775591 622352368 /nfs/dbraw/zinc/35/23/68/622352368.db2.gz GJPZEHSDEMGVJV-CABCVRRESA-N 0 0 315.461 3.257 20 10 DGCDRN Cc1cccc(C(=O)NCCc2ccc(O)c(O)c2)c1Cl ZINC000122560890 622352700 /nfs/dbraw/zinc/35/27/00/622352700.db2.gz JJISFHOZMAMHLY-UHFFFAOYSA-N 0 0 305.761 3.032 20 10 DGCDRN COc1ccc(CNC(=O)N(C)Cc2ccccc2O)c(C)c1 ZINC000767135647 622377682 /nfs/dbraw/zinc/37/76/82/622377682.db2.gz KVWNQUJCXZCZRY-UHFFFAOYSA-N 0 0 314.385 3.051 20 10 DGCDRN COc1cccc(CNc2cc(NC(C)=O)ccc2C)c1O ZINC000122686709 622386867 /nfs/dbraw/zinc/38/68/67/622386867.db2.gz XWJKMTMQTNRBNY-UHFFFAOYSA-N 0 0 300.358 3.280 20 10 DGCDRN Oc1c(F)cc(Cl)cc1CN1C[C@H](O)Cc2ccccc21 ZINC000789761930 625563185 /nfs/dbraw/zinc/56/31/85/625563185.db2.gz MOXJROFFFQZLKG-CYBMUJFWSA-N 0 0 307.752 3.108 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cc(C)sn2)cc1F ZINC000767898782 622426865 /nfs/dbraw/zinc/42/68/65/622426865.db2.gz DEVGCOQZRPNCRI-UHFFFAOYSA-N 0 0 321.421 3.367 20 10 DGCDRN CCCN(CCC)c1ccc(CN(C)CC(=O)NC2CC2)cc1 ZINC000768202963 622445588 /nfs/dbraw/zinc/44/55/88/622445588.db2.gz FBBDFRBBSOHMEL-UHFFFAOYSA-N 0 0 317.477 3.023 20 10 DGCDRN C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cc(F)cc(F)c1[O-] ZINC000768237339 622447115 /nfs/dbraw/zinc/44/71/15/622447115.db2.gz JOXGOCVYOZOOOZ-NAMSACQYSA-N 0 0 309.356 3.279 20 10 DGCDRN O=C(NCc1ccccc1O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000768286483 622448441 /nfs/dbraw/zinc/44/84/41/622448441.db2.gz LGYLNBYOYBDTIP-RYUDHWBXSA-N 0 0 321.298 3.229 20 10 DGCDRN Cc1ccc(C(=O)CCCC(=O)NCc2ccccc2O)cc1 ZINC000768285899 622448517 /nfs/dbraw/zinc/44/85/17/622448517.db2.gz ITUPFXZYMPXXMN-UHFFFAOYSA-N 0 0 311.381 3.370 20 10 DGCDRN Cc1ccc(F)c(CN(C)C(=O)c2ccc(C)c(O)c2O)c1 ZINC000768333296 622450644 /nfs/dbraw/zinc/45/06/44/622450644.db2.gz STFHKEWQROGUPO-UHFFFAOYSA-N 0 0 303.333 3.126 20 10 DGCDRN COc1cc(O)c(CN2CCc3cc(F)c(F)cc32)cc1OC ZINC000768465414 622458340 /nfs/dbraw/zinc/45/83/40/622458340.db2.gz LNFVJXOPHOQABB-UHFFFAOYSA-N 0 0 321.323 3.250 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2ccc(F)cc2F)cc1 ZINC000018174745 622462573 /nfs/dbraw/zinc/46/25/73/622462573.db2.gz CKPCLRZBQIHSBM-UHFFFAOYSA-N 0 0 305.328 3.353 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000768728207 622472835 /nfs/dbraw/zinc/47/28/35/622472835.db2.gz AWGMDZRKRZYARG-CYBMUJFWSA-N 0 0 323.801 3.321 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(F)c1F ZINC000789833927 625569135 /nfs/dbraw/zinc/56/91/35/625569135.db2.gz BOWPJIKBMCTHEL-VIFPVBQESA-N 0 0 322.311 3.129 20 10 DGCDRN Cc1ccc(OCC(=O)NCc2ccc(N(C)C)cc2)cc1C ZINC000018215131 622474299 /nfs/dbraw/zinc/47/42/99/622474299.db2.gz KFHDUKSPCVYCHI-UHFFFAOYSA-N 0 0 312.413 3.065 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCC(C)(C)C2)cc1 ZINC000768775304 622476260 /nfs/dbraw/zinc/47/62/60/622476260.db2.gz ZIELHHVIHRWLGC-HNNXBMFYSA-N 0 0 303.450 3.473 20 10 DGCDRN Cc1cc2[nH]c(C(=O)NCCc3ccc(O)c(O)c3)cc2c(C)c1 ZINC000768900320 622484427 /nfs/dbraw/zinc/48/44/27/622484427.db2.gz FKGCINFYWYEQOK-UHFFFAOYSA-N 0 0 324.380 3.168 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1cc(-c2cnn(C)c2)no1 ZINC000769203378 622507582 /nfs/dbraw/zinc/50/75/82/622507582.db2.gz DJKWGWGNOVYPNG-UHFFFAOYSA-N 0 0 324.384 3.037 20 10 DGCDRN O=C(CCC(=O)c1ccc(Cl)cc1)NCc1ccccc1O ZINC000769362303 622520541 /nfs/dbraw/zinc/52/05/41/622520541.db2.gz VDBKIRGJYIDHPJ-UHFFFAOYSA-N 0 0 317.772 3.325 20 10 DGCDRN CCOc1ccc(CN2CCOC[C@H]2c2ccc(C)o2)c(O)c1 ZINC000769447241 622528803 /nfs/dbraw/zinc/52/88/03/622528803.db2.gz XFNAXWQGOQXKBH-INIZCTEOSA-N 0 0 317.385 3.266 20 10 DGCDRN COc1ccc(O)c(CN2CCCC[C@@H]2C(=O)OC(C)(C)C)c1 ZINC000123426318 622530819 /nfs/dbraw/zinc/53/08/19/622530819.db2.gz XIMZGNHOTXGRDP-OAHLLOKOSA-N 0 0 321.417 3.097 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H](F)c1ccccc1 ZINC000769475280 622531579 /nfs/dbraw/zinc/53/15/79/622531579.db2.gz PAWNOUASCZMYEJ-QGZVFWFLSA-N 0 0 314.360 3.189 20 10 DGCDRN O=C(NCCCSc1nccs1)[C@@H](F)c1ccccc1 ZINC000769581684 622541991 /nfs/dbraw/zinc/54/19/91/622541991.db2.gz YEMSHYGKSRNMDB-LBPRGKRZSA-N 0 0 310.419 3.452 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCCCc2cccs2)cc1 ZINC000769658932 622547877 /nfs/dbraw/zinc/54/78/77/622547877.db2.gz ACMJNMCELUHMFE-UHFFFAOYSA-N 0 0 317.458 3.246 20 10 DGCDRN C[C@@H](Nc1cc(C2CC2)ncn1)c1ccc(N2CCOCC2)cc1 ZINC000881848424 625576539 /nfs/dbraw/zinc/57/65/39/625576539.db2.gz WTKHDUPRTDVFIO-CQSZACIVSA-N 0 0 324.428 3.364 20 10 DGCDRN CCSc1ccc(C(=O)N2Cc3cccc(O)c3C2)cn1 ZINC000871202718 622567090 /nfs/dbraw/zinc/56/70/90/622567090.db2.gz MHZBQNDVSCDDQM-UHFFFAOYSA-N 0 0 300.383 3.055 20 10 DGCDRN O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N1Cc2cccc(O)c2C1 ZINC000871203367 622567150 /nfs/dbraw/zinc/56/71/50/622567150.db2.gz YXJODSSONOANLV-NWDGAFQWSA-N 0 0 315.319 3.316 20 10 DGCDRN CC[C@@H](Oc1ccccc1F)C(=O)N1Cc2cccc(O)c2C1 ZINC000871202877 622567162 /nfs/dbraw/zinc/56/71/62/622567162.db2.gz HTEUSWIKXLTUSL-MRXNPFEDSA-N 0 0 315.344 3.231 20 10 DGCDRN C[C@@H](OC1CCCCCC1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871203509 622567425 /nfs/dbraw/zinc/56/74/25/622567425.db2.gz MSNKFKLQGJQAGE-CYBMUJFWSA-N 0 0 303.402 3.362 20 10 DGCDRN Cc1ccc(CO[C@H](C)C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871207151 622569087 /nfs/dbraw/zinc/56/90/87/622569087.db2.gz KKJRBPYFSQEBAA-CQSZACIVSA-N 0 0 311.381 3.148 20 10 DGCDRN CN1CCCc2cc(CNC(=O)NCC3(C4CC4)CC3)ccc21 ZINC000123596624 622605952 /nfs/dbraw/zinc/60/59/52/622605952.db2.gz KMYBQVWHVVUYTJ-UHFFFAOYSA-N 0 0 313.445 3.058 20 10 DGCDRN CC(C)C(NC(=O)NCc1ccc(N(C)C)c(F)c1)C(C)C ZINC000770366191 622624714 /nfs/dbraw/zinc/62/47/14/622624714.db2.gz GPNXCHUQOKMGMC-UHFFFAOYSA-N 0 0 309.429 3.372 20 10 DGCDRN Cc1c2ccccc2oc1CNC(=O)c1ccc(C)c(O)c1O ZINC000770493689 622639070 /nfs/dbraw/zinc/63/90/70/622639070.db2.gz GRTDFAXJZHEBDO-UHFFFAOYSA-N 0 0 311.337 3.391 20 10 DGCDRN O=C(c1nccs1)N(Cc1ccco1)Cc1ccccc1O ZINC000770510203 622640537 /nfs/dbraw/zinc/64/05/37/622640537.db2.gz UUMLENUQEIYWEQ-UHFFFAOYSA-N 0 0 314.366 3.284 20 10 DGCDRN CCS[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C)c(O)c1O ZINC000770506245 622640652 /nfs/dbraw/zinc/64/06/52/622640652.db2.gz OMWZKGZKEGJWCF-QWHCGFSZSA-N 0 0 309.431 3.200 20 10 DGCDRN CCN(CC)c1ccc(CN2CCO[C@H](COC(C)C)C2)cc1 ZINC000770688540 622661766 /nfs/dbraw/zinc/66/17/66/622661766.db2.gz MMRZOUUSPARNAR-IBGZPJMESA-N 0 0 320.477 3.159 20 10 DGCDRN CCC1(CC)[C@H](NC(=O)NCc2ccccc2O)[C@@H](C)[C@H]1OC ZINC000770827617 622673390 /nfs/dbraw/zinc/67/33/90/622673390.db2.gz FXSKQVXMPZOGDS-DAXOMENPSA-N 0 0 320.433 3.031 20 10 DGCDRN Cc1cc([N+](=O)[O-])cnc1N(C)Cc1ccc(N(C)C)cc1 ZINC000770967348 622697068 /nfs/dbraw/zinc/69/70/68/622697068.db2.gz PLVIZOLSHOKBAA-UHFFFAOYSA-N 0 0 300.362 3.001 20 10 DGCDRN O=c1ccc(-c2noc(-c3ccc(-n4cccc4)c(F)c3)n2)c[nH]1 ZINC000771187593 622725063 /nfs/dbraw/zinc/72/50/63/622725063.db2.gz UKNOSCHJBLRLIM-UHFFFAOYSA-N 0 0 322.299 3.434 20 10 DGCDRN C[C@@H]1CCN(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC000888589349 622733457 /nfs/dbraw/zinc/73/34/57/622733457.db2.gz ITNVYOTVHZLEQC-CYBMUJFWSA-N 0 0 321.384 3.270 20 10 DGCDRN O=C(c1c(F)ccc(O)c1O)N1CCC[C@]2(CC=CCC2)C1 ZINC000789980230 625590886 /nfs/dbraw/zinc/59/08/86/625590886.db2.gz WWESEWSDCYSCBD-QGZVFWFLSA-N 0 0 305.349 3.199 20 10 DGCDRN Cc1cc(C)cc(C[C@@H](C)NC(=O)c2c(F)ccc(O)c2O)c1 ZINC000789986969 625591672 /nfs/dbraw/zinc/59/16/72/625591672.db2.gz NYDCVTXBBQFWKF-GFCCVEGCSA-N 0 0 317.360 3.215 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)C=C2CCSCC2)cc1 ZINC000771591598 622778993 /nfs/dbraw/zinc/77/89/93/622778993.db2.gz ZULPEJBSLNLQNQ-UHFFFAOYSA-N 0 0 304.459 3.164 20 10 DGCDRN C/C=C/C[C@@H](CO)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000771611491 622780660 /nfs/dbraw/zinc/78/06/60/622780660.db2.gz LVMVQOAZDBFRHG-BDUNBXCCSA-N 0 0 312.413 3.151 20 10 DGCDRN C[C@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1ccc(F)cc1[O-] ZINC000872110574 622812472 /nfs/dbraw/zinc/81/24/72/622812472.db2.gz ZMUCNABYWFTIQT-VIFPVBQESA-N 0 0 317.286 3.097 20 10 DGCDRN CC[C@@H]([NH2+]CCC[C@@H]1CCOC1=O)c1cccc(Cl)c1[O-] ZINC000872112332 622814003 /nfs/dbraw/zinc/81/40/03/622814003.db2.gz JCHTWLFMBCFYCX-BXUZGUMPSA-N 0 0 311.809 3.430 20 10 DGCDRN CC(C)OC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000872114846 622815920 /nfs/dbraw/zinc/81/59/20/622815920.db2.gz CTZMACVLNWZAKM-GFCCVEGCSA-N 0 0 308.378 3.299 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C2(OC)CCCCC2)cc1 ZINC000771930037 622818012 /nfs/dbraw/zinc/81/80/12/622818012.db2.gz LAQRBVTUHOKHBG-UHFFFAOYSA-N 0 0 318.461 3.498 20 10 DGCDRN Cc1nonc1CN[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000872136272 622828606 /nfs/dbraw/zinc/82/86/06/622828606.db2.gz LBTSCDDGUNVQEF-GFCCVEGCSA-N 0 0 318.396 3.358 20 10 DGCDRN CC[C@H]1CC[C@@H](C)N1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000772454727 622899041 /nfs/dbraw/zinc/89/90/41/622899041.db2.gz JTOLPLBUTVUGPA-OCCSQVGLSA-N 0 0 307.413 3.364 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cnn(C(F)F)c1 ZINC000772483787 622900449 /nfs/dbraw/zinc/90/04/49/622900449.db2.gz STYWWOGTNCXZKP-UHFFFAOYSA-N 0 0 324.331 3.428 20 10 DGCDRN Cn1ccc(/C=C2\SC(=S)N(c3ccsc3)C2=O)c1 ZINC000790108875 625604349 /nfs/dbraw/zinc/60/43/49/625604349.db2.gz XBSGGFFRQQPNTO-WDZFZDKYSA-N 0 0 306.437 3.492 20 10 DGCDRN CC(C)[C@]1(C)C[C@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000772946158 622955292 /nfs/dbraw/zinc/95/52/92/622955292.db2.gz HUKRFUHEOCOFRR-LPHOPBHVSA-N 0 0 300.446 3.367 20 10 DGCDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 ZINC000773001693 622963808 /nfs/dbraw/zinc/96/38/08/622963808.db2.gz WNTYBHZCHZQQPG-GFCCVEGCSA-N 0 0 313.357 3.152 20 10 DGCDRN CC(C)c1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)on1 ZINC000773002141 622964112 /nfs/dbraw/zinc/96/41/12/622964112.db2.gz YDSIICRECOKDJV-LBPRGKRZSA-N 0 0 301.390 3.355 20 10 DGCDRN C[C@@H](NC(=O)COC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000773009806 622965731 /nfs/dbraw/zinc/96/57/31/622965731.db2.gz REEAIQSVALZBAO-CQSZACIVSA-N 0 0 304.434 3.279 20 10 DGCDRN COCc1ccccc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773012546 622966978 /nfs/dbraw/zinc/96/69/78/622966978.db2.gz UYTRUWUQXYENOY-CQSZACIVSA-N 0 0 312.413 3.390 20 10 DGCDRN Cc1noc(C)c1[C@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773014284 622967140 /nfs/dbraw/zinc/96/71/40/622967140.db2.gz LGCMGAMWDBDHED-NWDGAFQWSA-N 0 0 315.417 3.338 20 10 DGCDRN C[C@@H](NC(=O)[C@H]1CCOc2ccccc21)c1ccc(N(C)C)cc1 ZINC000773016271 622967800 /nfs/dbraw/zinc/96/78/00/622967800.db2.gz AQJZAEZRZUDQSY-KDOFPFPSSA-N 0 0 324.424 3.496 20 10 DGCDRN C[C@H](NC(=O)c1cc(Cl)ccn1)c1ccc(N(C)C)cc1 ZINC000773015613 622968321 /nfs/dbraw/zinc/96/83/21/622968321.db2.gz QSBYTXRPUSQYMV-NSHDSACASA-N 0 0 303.793 3.292 20 10 DGCDRN COCCC1(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC000773014981 622968324 /nfs/dbraw/zinc/96/83/24/622968324.db2.gz MCPIMUZKYKHSIW-CQSZACIVSA-N 0 0 304.434 3.137 20 10 DGCDRN C[C@@H](NC(=O)NCc1cccs1)c1ccc(N(C)C)cc1 ZINC000773113006 622985781 /nfs/dbraw/zinc/98/57/81/622985781.db2.gz NQCCNYNYGBAHMP-GFCCVEGCSA-N 0 0 303.431 3.375 20 10 DGCDRN CCN1C(=O)/C(=C\c2ccn(-c3ccccc3)n2)SC1=S ZINC000773153637 622992981 /nfs/dbraw/zinc/99/29/81/622992981.db2.gz VUHDQBQFNASNCB-JLHYYAGUSA-N 0 0 315.423 3.093 20 10 DGCDRN C[C@H](NC(=O)NC(C1CC1)C1CC1)c1ccc(N(C)C)cc1 ZINC000773163593 622994864 /nfs/dbraw/zinc/99/48/64/622994864.db2.gz SAKYFJGTKXHXHT-LBPRGKRZSA-N 0 0 301.434 3.301 20 10 DGCDRN CSCCCCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773305119 623011157 /nfs/dbraw/zinc/01/11/57/623011157.db2.gz HNGVWCVDZAMJFU-CYBMUJFWSA-N 0 0 309.479 3.256 20 10 DGCDRN CCc1cnccc1[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000773425787 623025429 /nfs/dbraw/zinc/02/54/29/623025429.db2.gz CYERBBAMRIULLG-LLVKDONJSA-N 0 0 301.346 3.109 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H](C)CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773447417 623028272 /nfs/dbraw/zinc/02/82/72/623028272.db2.gz IVGPOZAINUGEFC-WDEREUQCSA-N 0 0 317.355 3.454 20 10 DGCDRN O=C(N(Cc1ccccc1O)C[C@@H]1CCCO1)C1(F)CCCC1 ZINC000773474437 623032381 /nfs/dbraw/zinc/03/23/81/623032381.db2.gz HSUKBFFMDFJKML-HNNXBMFYSA-N 0 0 321.392 3.182 20 10 DGCDRN CC[C@H]1CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCS1 ZINC000773613050 623050695 /nfs/dbraw/zinc/05/06/95/623050695.db2.gz OUMHCXIILIBUOL-CJNGLKHVSA-N 0 0 321.490 3.351 20 10 DGCDRN C[C@H](NC(=O)NC[C@H]1CC=CCC1)c1ccc(N(C)C)cc1 ZINC000773622652 623052436 /nfs/dbraw/zinc/05/24/36/623052436.db2.gz HAONAVGMFNJMHW-GJZGRUSLSA-N 0 0 301.434 3.469 20 10 DGCDRN C[C@H](NC(=O)N1CCOC(C)(C)[C@H]1C)c1ccc(N(C)C)cc1 ZINC000773626318 623053020 /nfs/dbraw/zinc/05/30/20/623053020.db2.gz SPVPQPWEBKNPFY-UONOGXRCSA-N 0 0 319.449 3.023 20 10 DGCDRN CC(=O)CCCCCCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000773744196 623066036 /nfs/dbraw/zinc/06/60/36/623066036.db2.gz PGCUXMBDIGILKV-CYBMUJFWSA-N 0 0 321.417 3.075 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1CCCC[C@H]1C ZINC000773744865 623066600 /nfs/dbraw/zinc/06/66/00/623066600.db2.gz FLUGWYMZKOMURS-NFAWXSAZSA-N 0 0 305.418 3.361 20 10 DGCDRN CCN(C)c1ccc(CN2CCC[C@@H]2C(=O)OC(C)(C)C)cc1 ZINC000773753312 623067128 /nfs/dbraw/zinc/06/71/28/623067128.db2.gz GBFCWPXENGMVAY-QGZVFWFLSA-N 0 0 318.461 3.449 20 10 DGCDRN CCn1ncc(NCc2cccc(Br)c2O)c1C ZINC000873195446 623070206 /nfs/dbraw/zinc/07/02/06/623070206.db2.gz FVHYNVAOCKDKEK-UHFFFAOYSA-N 0 0 310.195 3.292 20 10 DGCDRN CC1(C)C[C@@]1(C(=O)NCc1ccc(N)cc1)c1ccc(F)cc1 ZINC000873298773 623108880 /nfs/dbraw/zinc/10/88/80/623108880.db2.gz LOFBRBLTJPZIRN-IBGZPJMESA-N 0 0 312.388 3.392 20 10 DGCDRN CSCCCNC(=S)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774252892 623125028 /nfs/dbraw/zinc/12/50/28/623125028.db2.gz DLCONWLMHATTQW-LBPRGKRZSA-N 0 0 311.520 3.031 20 10 DGCDRN CC(C)C(=O)N(C)CSc1ncc(-c2ccccc2)n1C ZINC000882070231 625625084 /nfs/dbraw/zinc/62/50/84/625625084.db2.gz HXLHIEAOQKWDFW-UHFFFAOYSA-N 0 0 303.431 3.251 20 10 DGCDRN Cc1cccc2c1N(C1CC1)CCN2C(=O)/C=C/c1cccnc1 ZINC000774520398 623154818 /nfs/dbraw/zinc/15/48/18/623154818.db2.gz KACYTKIJMPEPLE-JXMROGBWSA-N 0 0 319.408 3.419 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CCCC[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000774885997 623204866 /nfs/dbraw/zinc/20/48/66/623204866.db2.gz UNKWFFDMZBNGBN-CYBMUJFWSA-N 0 0 308.378 3.320 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2C[C@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774905795 623206626 /nfs/dbraw/zinc/20/66/26/623206626.db2.gz RVWQDDWSTQEEHM-NEPJUHHUSA-N 0 0 308.378 3.320 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2C[C@@H](C)CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000774905797 623207057 /nfs/dbraw/zinc/20/70/57/623207057.db2.gz RVWQDDWSTQEEHM-NWDGAFQWSA-N 0 0 308.378 3.320 20 10 DGCDRN COc1c([O-])c(C[NH+]2CCC(C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000774910117 623207813 /nfs/dbraw/zinc/20/78/13/623207813.db2.gz TUSDBIGKSGGEIN-UHFFFAOYSA-N 0 0 308.378 3.177 20 10 DGCDRN COc1c(O)c(CNc2cccc(C)c2F)ccc1[N+](=O)[O-] ZINC000774941765 623210242 /nfs/dbraw/zinc/21/02/42/623210242.db2.gz MGCAVDPETJQWAH-UHFFFAOYSA-N 0 0 306.293 3.369 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774942250 623210595 /nfs/dbraw/zinc/21/05/95/623210595.db2.gz JQIYAZAPKKPDJC-NTZNESFSSA-N 0 0 308.378 3.223 20 10 DGCDRN COc1ccc(F)cc1NCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775032370 623219078 /nfs/dbraw/zinc/21/90/78/623219078.db2.gz HENNJTDGQMAKHM-UHFFFAOYSA-N 0 0 322.292 3.069 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000775166844 623237447 /nfs/dbraw/zinc/23/74/47/623237447.db2.gz BHUGBFFPRGPNJX-CQSZACIVSA-N 0 0 313.731 3.147 20 10 DGCDRN O=C(/C=C\c1cccnc1)N1CCN(C2CC2)c2cc(F)ccc21 ZINC000775230460 623243451 /nfs/dbraw/zinc/24/34/51/623243451.db2.gz ATJOVZRIIRFPDP-BAQGIRSFSA-N 0 0 323.371 3.250 20 10 DGCDRN CC(C)(C)SCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874315993 623259435 /nfs/dbraw/zinc/25/94/35/623259435.db2.gz KLFVSJWYTVDSJT-UHFFFAOYSA-N 0 0 308.407 3.111 20 10 DGCDRN CC(C)(C)[C@@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874381701 623265107 /nfs/dbraw/zinc/26/51/07/623265107.db2.gz VJGOGLDKJWCOMY-ZDUSSCGKSA-N 0 0 302.378 3.500 20 10 DGCDRN C[C@H](NC(=O)CCc1ccc(O)cc1)c1ccc(N(C)C)cc1 ZINC000775403930 623269634 /nfs/dbraw/zinc/26/96/34/623269634.db2.gz KLVXPCPVUZCQEY-AWEZNQCLSA-N 0 0 312.413 3.268 20 10 DGCDRN C[C@H](NC(=O)/C=C\c1ccc(O)cc1)c1ccc(N(C)C)cc1 ZINC000775402567 623269727 /nfs/dbraw/zinc/26/97/27/623269727.db2.gz HFWAMNOHLBZFON-XMRSSTEGSA-N 0 0 310.397 3.349 20 10 DGCDRN C[C@@H](NC(=O)C(C)(C)c1cccnc1)c1ccc(N(C)C)cc1 ZINC000775411975 623271167 /nfs/dbraw/zinc/27/11/67/623271167.db2.gz SUNQADNRGYMPSG-CQSZACIVSA-N 0 0 311.429 3.303 20 10 DGCDRN Cc1ccc(/C=C\C(=O)N2C[C@@H](C)Oc3c(F)cccc32)cn1 ZINC000775423361 623273545 /nfs/dbraw/zinc/27/35/45/623273545.db2.gz YQAHGYXKVUZTAF-LJTDUEICSA-N 0 0 312.344 3.356 20 10 DGCDRN CC(C)OC1(C(=O)NCCCSc2nccs2)CCC1 ZINC000874466052 623274903 /nfs/dbraw/zinc/27/49/03/623274903.db2.gz BGIMVELLAAEMEU-UHFFFAOYSA-N 0 0 314.476 3.089 20 10 DGCDRN CCCCCCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000125022438 623275616 /nfs/dbraw/zinc/27/56/16/623275616.db2.gz LASKOEMAPCYESW-UHFFFAOYSA-N 0 0 301.434 3.442 20 10 DGCDRN CC[C@H]([NH2+]C[C@](C)(O)COC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775503122 623281395 /nfs/dbraw/zinc/28/13/95/623281395.db2.gz BQGBGCUFKLIMNX-FZMZJTMJSA-N 0 0 322.232 3.137 20 10 DGCDRN CC[C@@H]([NH2+][C@H]1CCCNC1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000775500699 623281581 /nfs/dbraw/zinc/28/15/81/623281581.db2.gz XDHKOKYYPCMZGD-MNOVXSKESA-N 0 0 317.216 3.018 20 10 DGCDRN COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])C1 ZINC000775582692 623293391 /nfs/dbraw/zinc/29/33/91/623293391.db2.gz XPBLAHUDKHBNBZ-AGIUHOORSA-N 0 0 324.396 3.049 20 10 DGCDRN COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])C1 ZINC000775582693 623293625 /nfs/dbraw/zinc/29/36/25/623293625.db2.gz XPBLAHUDKHBNBZ-AVGNSLFASA-N 0 0 324.396 3.049 20 10 DGCDRN CN(C(=O)C[N@H+](C)Cc1cccc(Cl)c1[O-])C1CCCCC1 ZINC000775652796 623304423 /nfs/dbraw/zinc/30/44/23/623304423.db2.gz UMJKEXFLDMHHIB-UHFFFAOYSA-N 0 0 324.852 3.269 20 10 DGCDRN COc1ccc(O)c(CN(C)Cc2ccn(-c3ccccc3)n2)c1 ZINC000775658744 623306411 /nfs/dbraw/zinc/30/64/11/623306411.db2.gz RPZHKPIPMFSAPY-UHFFFAOYSA-N 0 0 323.396 3.219 20 10 DGCDRN COc1ncc(/C=C\C(=O)N(C)c2ccc(C)c(Cl)c2)cn1 ZINC000775854963 623341084 /nfs/dbraw/zinc/34/10/84/623341084.db2.gz YOQVGHWMFIDDSX-ALCCZGGFSA-N 0 0 317.776 3.123 20 10 DGCDRN COc1ccc(OC)c(C[NH2+]Cc2cccc(Cl)c2[O-])c1 ZINC000775855508 623342387 /nfs/dbraw/zinc/34/23/87/623342387.db2.gz QNNINAXBMGERKB-UHFFFAOYSA-N 0 0 307.777 3.353 20 10 DGCDRN COc1ncc(/C=C/C(=O)N(CC2CCC2)c2ccccc2)cn1 ZINC000775869019 623344021 /nfs/dbraw/zinc/34/40/21/623344021.db2.gz GJEAYIMWFVTGPZ-ZHACJKMWSA-N 0 0 323.396 3.332 20 10 DGCDRN C[C@H](c1ccccc1)N(Cc1cn(C)nn1)Cc1ccccc1O ZINC000776008399 623363375 /nfs/dbraw/zinc/36/33/75/623363375.db2.gz GWLYKTQURXLLTE-OAHLLOKOSA-N 0 0 322.412 3.284 20 10 DGCDRN COC(=O)[C@H]1C[C@H](C)CCN1Cc1cc(Cl)cc(C)c1O ZINC000776004234 623363416 /nfs/dbraw/zinc/36/34/16/623363416.db2.gz ZUBSJACONAMFAD-QMTHXVAHSA-N 0 0 311.809 3.128 20 10 DGCDRN CC[C@@H]1[C@H](C)CCN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000776126288 623381927 /nfs/dbraw/zinc/38/19/27/623381927.db2.gz AWGXRMBSORLITC-RHSMWYFYSA-N 0 0 315.461 3.399 20 10 DGCDRN CC[C@@H]1[C@@H](C)CCN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000776126290 623382149 /nfs/dbraw/zinc/38/21/49/623382149.db2.gz AWGXRMBSORLITC-WMLDXEAASA-N 0 0 315.461 3.399 20 10 DGCDRN C[C@@](CO)([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccccc1 ZINC000776175183 623390596 /nfs/dbraw/zinc/39/05/96/623390596.db2.gz JDTFHZBEBSZPRW-INIZCTEOSA-N 0 0 309.768 3.182 20 10 DGCDRN O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC000776174013 623390636 /nfs/dbraw/zinc/39/06/36/623390636.db2.gz XEFBWDKNWVGPBV-UHFFFAOYSA-N 0 0 324.739 3.425 20 10 DGCDRN CN(C)c1ccc(C=C2SC(=O)NC2=O)c(C(F)(F)F)c1 ZINC000874927606 623392070 /nfs/dbraw/zinc/39/20/70/623392070.db2.gz FKEFBFAQUIYTRH-YHYXMXQVSA-N 0 0 316.304 3.095 20 10 DGCDRN CO[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000776240412 623401032 /nfs/dbraw/zinc/40/10/32/623401032.db2.gz VNXCJMHPXKSCNV-YOEHRIQHSA-N 0 0 319.449 3.024 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]CCc1cnc(C2CC2)nc1 ZINC000776252776 623401857 /nfs/dbraw/zinc/40/18/57/623401857.db2.gz FVWQKTCRVRZRQL-UHFFFAOYSA-N 0 0 303.793 3.045 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000776253945 623401942 /nfs/dbraw/zinc/40/19/42/623401942.db2.gz XSYRUPKYNUSZON-QGZVFWFLSA-N 0 0 321.779 3.108 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCSCC[C@H]1C ZINC000790375428 625645203 /nfs/dbraw/zinc/64/52/03/625645203.db2.gz NSHAAOHOZMAQKE-CQSZACIVSA-N 0 0 321.490 3.098 20 10 DGCDRN Cc1cc(COC(=O)c2cccc(O)c2O)c2ccccc2n1 ZINC000776282669 623406550 /nfs/dbraw/zinc/40/65/50/623406550.db2.gz UNQSSGRRBPDWSG-UHFFFAOYSA-N 0 0 309.321 3.311 20 10 DGCDRN CCc1ccc(C(=O)[C@H](C)OC(=O)c2cccc(O)c2O)cc1 ZINC000776282107 623406982 /nfs/dbraw/zinc/40/69/82/623406982.db2.gz OLCACSHDQVDHPW-NSHDSACASA-N 0 0 314.337 3.088 20 10 DGCDRN C[C@@H](NC(=O)[C@@H]1CC[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000776309738 623409987 /nfs/dbraw/zinc/40/99/87/623409987.db2.gz MLFKJLXIRCKSLS-BFYDXBDKSA-N 0 0 316.445 3.137 20 10 DGCDRN CCOC(C)(C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000875117317 623418170 /nfs/dbraw/zinc/41/81/70/623418170.db2.gz FSSPYEZLNHMZPP-UHFFFAOYSA-N 0 0 304.434 3.059 20 10 DGCDRN C[C@H]1C[C@@H]1c1ccc(CNC(=O)N2Cc3cccc(O)c3C2)o1 ZINC000875117986 623418254 /nfs/dbraw/zinc/41/82/54/623418254.db2.gz PDCYXGADSQPTHF-FZMZJTMJSA-N 0 0 312.369 3.334 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2OC3CCC2CC3)cc1 ZINC000875121231 623418992 /nfs/dbraw/zinc/41/89/92/623418992.db2.gz RPZUAITXMARWOB-UHFFFAOYSA-N 0 0 317.433 3.301 20 10 DGCDRN C[C@@H](NC(=O)NCc1cccc(N(C)C)c1)c1ccccc1O ZINC000875184995 623425720 /nfs/dbraw/zinc/42/57/20/623425720.db2.gz VIUOOPHEOKGYAG-CYBMUJFWSA-N 0 0 313.401 3.019 20 10 DGCDRN O=C(N[C@H]1CCCOc2ccccc21)N1Cc2cccc(O)c2C1 ZINC000875195673 623426505 /nfs/dbraw/zinc/42/65/05/623426505.db2.gz PTRNUNHGXZROSG-INIZCTEOSA-N 0 0 324.380 3.331 20 10 DGCDRN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N1Cc2cccc(O)c2C1 ZINC000875227732 623428563 /nfs/dbraw/zinc/42/85/63/623428563.db2.gz KWTRMMXUYLBIHY-INIZCTEOSA-N 0 0 324.380 3.168 20 10 DGCDRN CCc1nc([C@H](C)NC(=O)N2Cc3cccc(O)c3C2)cs1 ZINC000875271231 623433244 /nfs/dbraw/zinc/43/32/44/623433244.db2.gz RRGFRRABBCYTGW-JTQLQIEISA-N 0 0 317.414 3.198 20 10 DGCDRN CC(C)(CNC(=O)N1Cc2cccc(O)c2C1)[C@H]1CCCCO1 ZINC000875375355 623443125 /nfs/dbraw/zinc/44/31/25/623443125.db2.gz VAXJCLPUSUKTAK-MRXNPFEDSA-N 0 0 318.417 3.013 20 10 DGCDRN CCOc1ccc(N(C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776585725 623444277 /nfs/dbraw/zinc/44/42/77/623444277.db2.gz ZTNGCYNVFIOZEV-KRWDZBQOSA-N 0 0 316.357 3.163 20 10 DGCDRN CC(C)(C)[C@@H]1C[C@H](NC(=O)N2Cc3cccc(O)c3C2)CCO1 ZINC000875439637 623451001 /nfs/dbraw/zinc/45/10/01/623451001.db2.gz ZDRGXVFLMWUVEJ-CJNGLKHVSA-N 0 0 318.417 3.011 20 10 DGCDRN Oc1ccc(Cl)cc1CN1CCO[C@@H](Cc2ccccc2)C1 ZINC000776691753 623451984 /nfs/dbraw/zinc/45/19/84/623451984.db2.gz MMOQVAFXJJWZSZ-KRWDZBQOSA-N 0 0 317.816 3.489 20 10 DGCDRN COc1cc(Br)cc(CN2CCC(F)(F)C2)c1O ZINC000776692849 623452453 /nfs/dbraw/zinc/45/24/53/623452453.db2.gz DZJDWGQCIQHIOD-UHFFFAOYSA-N 0 0 322.149 3.004 20 10 DGCDRN CCC(O)(CC)CN(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000875507096 623457317 /nfs/dbraw/zinc/45/73/17/623457317.db2.gz AKIGRMPYVXCYFD-AWEZNQCLSA-N 0 0 321.465 3.006 20 10 DGCDRN CC(C)(C)c1cc(O)c(O)c(CN2CCO[C@@H](C3CC3)C2)c1 ZINC000776767376 623461642 /nfs/dbraw/zinc/46/16/42/623461642.db2.gz GUWGIEMHQNBWGF-MRXNPFEDSA-N 0 0 305.418 3.006 20 10 DGCDRN C[C@@]1(CCNC(=O)N2Cc3cccc(O)c3C2)C[C@]1(F)Cl ZINC000875693566 623481511 /nfs/dbraw/zinc/48/15/11/623481511.db2.gz ZHNUSAQPGPUTDQ-HUUCEWRRSA-N 0 0 312.772 3.122 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1CCc2ccc(O)cc21)c1ccccc1O ZINC000875744252 623487000 /nfs/dbraw/zinc/48/70/00/623487000.db2.gz YXMNXRJQFKXCFC-BDJLRTHQSA-N 0 0 312.369 3.146 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1coc(C2CCCCC2)n1 ZINC000777275757 623509859 /nfs/dbraw/zinc/50/98/59/623509859.db2.gz SHUMLUDQSLMDFN-UHFFFAOYSA-N 0 0 316.357 3.064 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@@H](C)O[C@H]1C ZINC000875988301 623520311 /nfs/dbraw/zinc/52/03/11/623520311.db2.gz FROXZGWKXUWKIT-IJEWVQPXSA-N 0 0 320.433 3.270 20 10 DGCDRN Cc1cc(C(=O)NCc2ccccc2O)nn1-c1ccc(C)cc1 ZINC000777419170 623522614 /nfs/dbraw/zinc/52/26/14/623522614.db2.gz IMAWPJOROUZPOI-UHFFFAOYSA-N 0 0 321.380 3.125 20 10 DGCDRN COC1(C)CN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000777441723 623525814 /nfs/dbraw/zinc/52/58/14/623525814.db2.gz JYIIQOPDLRGZHE-UHFFFAOYSA-N 0 0 304.415 3.017 20 10 DGCDRN CCOc1ccc(CNc2ccc(-n3ccnc3C)nc2)c(O)c1 ZINC000777513349 623533714 /nfs/dbraw/zinc/53/37/14/623533714.db2.gz AJGQKCBTPLVQAW-UHFFFAOYSA-N 0 0 324.384 3.292 20 10 DGCDRN CC(C)c1cc(NCc2ccc(N3CCOCC3)c(F)c2)no1 ZINC000777519978 623534623 /nfs/dbraw/zinc/53/46/23/623534623.db2.gz VOCJCEWALXPXAF-UHFFFAOYSA-N 0 0 319.380 3.386 20 10 DGCDRN CC(C)c1nnc2c(N[C@@H](C)c3ccc(N(C)C)cc3)nccn21 ZINC000777784379 623567102 /nfs/dbraw/zinc/56/71/02/623567102.db2.gz HLPKOTGSHHCLHR-ZDUSSCGKSA-N 0 0 324.432 3.487 20 10 DGCDRN CCOc1ccc(CNc2cccc(N3CCC3=O)c2)c(O)c1 ZINC000790485431 625660289 /nfs/dbraw/zinc/66/02/89/625660289.db2.gz HKHLCTSOZYVFHU-UHFFFAOYSA-N 0 0 312.369 3.140 20 10 DGCDRN Cc1nocc1NC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000888722743 623602057 /nfs/dbraw/zinc/60/20/57/623602057.db2.gz PRMIUQBKSYUMPQ-LBPRGKRZSA-N 0 0 316.405 3.110 20 10 DGCDRN COc1ccc(N2CCN(Cc3ccc(Cl)cn3)CC2)cc1 ZINC000778209743 623625894 /nfs/dbraw/zinc/62/58/94/623625894.db2.gz SNZNPXRZDQNRBK-UHFFFAOYSA-N 0 0 317.820 3.066 20 10 DGCDRN CCCn1cc(CN(Cc2ccc(N(C)C)cc2)C(C)C)nn1 ZINC000876584733 623651411 /nfs/dbraw/zinc/65/14/11/623651411.db2.gz NQXZVALMVZUPCH-UHFFFAOYSA-N 0 0 315.465 3.165 20 10 DGCDRN C[N@@H+](Cc1ccc(F)c(F)c1[O-])C[C@H]1OCCc2ccccc21 ZINC000876634015 623664996 /nfs/dbraw/zinc/66/49/96/623664996.db2.gz JDOFEOMPVXBLQG-MRXNPFEDSA-N 0 0 319.351 3.416 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C)[C@H](F)C2)cc1 ZINC000778620176 623677611 /nfs/dbraw/zinc/67/76/11/623677611.db2.gz JCPSHWLOCRADRQ-RHSMWYFYSA-N 0 0 321.440 3.422 20 10 DGCDRN Cc1ccc2c(CCC(=O)NCc3ccc(O)c(O)c3)c[nH]c2c1 ZINC000778916483 623711075 /nfs/dbraw/zinc/71/10/75/623711075.db2.gz IROHRULZHBDLRM-UHFFFAOYSA-N 0 0 324.380 3.137 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1c[nH]cc1-c1ccccc1 ZINC000778924389 623712099 /nfs/dbraw/zinc/71/20/99/623712099.db2.gz CVAKCXKZZLNZMV-UHFFFAOYSA-N 0 0 308.337 3.023 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)CCN2C ZINC000778988839 623717358 /nfs/dbraw/zinc/71/73/58/623717358.db2.gz QVPDZQOMUFNNMH-UHFFFAOYSA-N 0 0 324.424 3.437 20 10 DGCDRN Cc1cccc(O)c1CNc1ccc(OCC(C)(C)O)cc1 ZINC000876861522 623731186 /nfs/dbraw/zinc/73/11/86/623731186.db2.gz BEIQTQIODGKXEJ-UHFFFAOYSA-N 0 0 301.386 3.462 20 10 DGCDRN CN(C)[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])c1cccc(F)c1 ZINC000876883289 623735499 /nfs/dbraw/zinc/73/54/99/623735499.db2.gz DPDMFFMMZJLYJD-OAHLLOKOSA-N 0 0 324.346 3.202 20 10 DGCDRN COC(=O)c1cc(NCc2cccc(OC)c2O)ccc1C ZINC000779156315 623736808 /nfs/dbraw/zinc/73/68/08/623736808.db2.gz CZSNQEZLMBAUOP-UHFFFAOYSA-N 0 0 301.342 3.108 20 10 DGCDRN CN(C)[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])c1ccsc1 ZINC000876911615 623743235 /nfs/dbraw/zinc/74/32/35/623743235.db2.gz IJFVKCLKJIYLCB-ZDUSSCGKSA-N 0 0 312.385 3.124 20 10 DGCDRN CCCN(c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-])C1CC1 ZINC000779426705 623768736 /nfs/dbraw/zinc/76/87/36/623768736.db2.gz HFZXCHHSMNPHAY-WEVVVXLNSA-N 0 0 304.346 3.160 20 10 DGCDRN CCN(CC)c1ccc(CNCc2ccc(Cl)nn2)cc1F ZINC000877027035 623769087 /nfs/dbraw/zinc/76/90/87/623769087.db2.gz IVXYXKCFOHXCKM-UHFFFAOYSA-N 0 0 322.815 3.405 20 10 DGCDRN Cc1ccccc1-c1cc(NC(=O)c2cccc(O)c2O)n[nH]1 ZINC000790598044 625674818 /nfs/dbraw/zinc/67/48/18/625674818.db2.gz IOEOXYYQHURFIB-UHFFFAOYSA-N 0 0 309.325 3.049 20 10 DGCDRN [O-]c1c(C[NH2+]Cc2ccc(C3OCCO3)cc2)ccc(F)c1F ZINC000877030196 623769707 /nfs/dbraw/zinc/76/97/07/623769707.db2.gz ATBUIPHZUPRGAR-UHFFFAOYSA-N 0 0 321.323 3.006 20 10 DGCDRN COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000779432188 623770452 /nfs/dbraw/zinc/77/04/52/623770452.db2.gz NLCKCGIOSRQTPV-LRDDRELGSA-N 0 0 311.809 3.257 20 10 DGCDRN Nc1ccc(CC(=O)Nc2cccc(C3CCOCC3)c2)cc1 ZINC000877035772 623772013 /nfs/dbraw/zinc/77/20/13/623772013.db2.gz KIUFGUWXZFPUMB-UHFFFAOYSA-N 0 0 310.397 3.344 20 10 DGCDRN C[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779489724 623774219 /nfs/dbraw/zinc/77/42/19/623774219.db2.gz SRZYVSZFMIJSGP-JOAKQRRISA-N 0 0 315.394 3.318 20 10 DGCDRN CCc1ccc(CN(C)C(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000779490223 623774613 /nfs/dbraw/zinc/77/46/13/623774613.db2.gz ZHXVGVICLJNEBJ-PKNBQFBNSA-N 0 0 311.381 3.332 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(C)c(O)c2)cc1 ZINC000779497987 623775305 /nfs/dbraw/zinc/77/53/05/623775305.db2.gz FOEYAMCLMKSTRA-UHFFFAOYSA-N 0 0 312.413 3.477 20 10 DGCDRN C[C@@]1(NC(=O)/C=C\c2ccc(O)c(O)c2)CCCc2ccccc21 ZINC000779509728 623775987 /nfs/dbraw/zinc/77/59/87/623775987.db2.gz HKSFKUSFBHLNHZ-YBNHLDJLSA-N 0 0 323.392 3.479 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CCc2ccccc2C1 ZINC000779521633 623776835 /nfs/dbraw/zinc/77/68/35/623776835.db2.gz YWRLAQIWZORMBV-VSGCLNPGSA-N 0 0 323.392 3.032 20 10 DGCDRN Cc1cccc2c1CC[C@H]2NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779514867 623776849 /nfs/dbraw/zinc/77/68/49/623776849.db2.gz NKVMEUVQWOQSMX-VGZDNEPHSA-N 0 0 309.365 3.223 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC1(c2ccc(F)cc2)CC1 ZINC000779513258 623776850 /nfs/dbraw/zinc/77/68/50/623776850.db2.gz GGWDWLYLXZSLPL-WAPJZHGLSA-N 0 0 313.328 3.056 20 10 DGCDRN CC(C)(C)[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(F)(F)F ZINC000779525775 623777210 /nfs/dbraw/zinc/77/72/10/623777210.db2.gz RTDMYVMNBMFVTN-IYNGYCSASA-N 0 0 317.307 3.204 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H]1c1cccc(F)c1 ZINC000779526686 623777238 /nfs/dbraw/zinc/77/72/38/623777238.db2.gz XFUSJHFMMNFRNN-ZQMJAJRESA-N 0 0 313.328 3.224 20 10 DGCDRN C[C@]1(c2ccccc2)CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000779527438 623777289 /nfs/dbraw/zinc/77/72/89/623777289.db2.gz LFWUQIQBORVYMI-WSCHBXBGSA-N 0 0 323.392 3.301 20 10 DGCDRN CC(C)(C)[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(F)(F)F ZINC000779525778 623777365 /nfs/dbraw/zinc/77/73/65/623777365.db2.gz RTDMYVMNBMFVTN-VGVVRCBHSA-N 0 0 317.307 3.204 20 10 DGCDRN CC1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)c2ccccc21 ZINC000779527090 623777528 /nfs/dbraw/zinc/77/75/28/623777528.db2.gz HINDEOBBOAYERL-CSKARUKUSA-N 0 0 309.365 3.435 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(-c2cn[nH]c2)c1 ZINC000779540242 623777906 /nfs/dbraw/zinc/77/79/06/623777906.db2.gz PSHPLOYRRQYQBJ-ALCCZGGFSA-N 0 0 321.336 3.140 20 10 DGCDRN CN(C(=O)[C@@H]1SCCc2sccc21)c1ccc(N)cc1 ZINC000877078010 623785776 /nfs/dbraw/zinc/78/57/76/623785776.db2.gz YXMIFNBDIOONLO-CQSZACIVSA-N 0 0 304.440 3.324 20 10 DGCDRN Cc1cc(C(=O)N(C)c2ccc(N)cc2)c2cnn(C(C)C)c2n1 ZINC000877077660 623785973 /nfs/dbraw/zinc/78/59/73/623785973.db2.gz QMYNZJLHVYHCKR-UHFFFAOYSA-N 0 0 323.400 3.179 20 10 DGCDRN Cc1[nH]nc(NC(=O)c2cccc(O)c2O)c1-c1ccccc1 ZINC000790602490 625676585 /nfs/dbraw/zinc/67/65/85/625676585.db2.gz BMLQRGZAFQJBPX-UHFFFAOYSA-N 0 0 309.325 3.049 20 10 DGCDRN Cc1ccc(NC(=S)NNc2cccc(F)c2[N+](=O)[O-])cc1 ZINC000790610202 625677852 /nfs/dbraw/zinc/67/78/52/625677852.db2.gz XKOCCQOVXXPTBM-UHFFFAOYSA-N 0 0 320.349 3.356 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)ccc(F)c1F ZINC000877195346 623824645 /nfs/dbraw/zinc/82/46/45/623824645.db2.gz JGKXEUVUVWLQCZ-CYBMUJFWSA-N 0 0 304.340 3.130 20 10 DGCDRN CC/C(C)=C(/C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000779874637 623825230 /nfs/dbraw/zinc/82/52/30/623825230.db2.gz RJLDWTLTRCEYRW-YARYAAFXSA-N 0 0 316.445 3.447 20 10 DGCDRN CCC[C@@H]1C[C@H](C(=O)NCc2ccc(N(C)C)cc2C)CCO1 ZINC000779916577 623832667 /nfs/dbraw/zinc/83/26/67/623832667.db2.gz UMHDURKBNNKSRZ-CRAIPNDOSA-N 0 0 318.461 3.273 20 10 DGCDRN COC(=O)[C@@H](NCc1ccc(C)cc1O)c1cc(C)cc(C)c1 ZINC000877426561 623876269 /nfs/dbraw/zinc/87/62/69/623876269.db2.gz BFWHJNSQNWILEC-SFHVURJKSA-N 0 0 313.397 3.321 20 10 DGCDRN Cc1cccc(O)c1CNc1ccc(C(N)=O)c(OC(C)C)c1 ZINC000877495904 623911871 /nfs/dbraw/zinc/91/18/71/623911871.db2.gz IUHKWJIKCYISMJ-UHFFFAOYSA-N 0 0 314.385 3.199 20 10 DGCDRN COC1CCC(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000780347645 623914835 /nfs/dbraw/zinc/91/48/35/623914835.db2.gz OGIBNERVWDTLJU-UHFFFAOYSA-N 0 0 316.445 3.108 20 10 DGCDRN CC(C)[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000780360036 623916611 /nfs/dbraw/zinc/91/66/11/623916611.db2.gz NNQOQKYJVBERMV-OAHLLOKOSA-N 0 0 321.440 3.469 20 10 DGCDRN C[C@@H]1CC[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000780360687 623916765 /nfs/dbraw/zinc/91/67/65/623916765.db2.gz ZWOTWMDSKQATKA-CJNGLKHVSA-N 0 0 301.434 3.057 20 10 DGCDRN Cc1noc([C@@H]2CCCCN2Cc2ccc(F)c(F)c2[O-])n1 ZINC000877524136 623923544 /nfs/dbraw/zinc/92/35/44/623923544.db2.gz SBRKELHOGIOOLT-LBPRGKRZSA-N 0 0 309.316 3.089 20 10 DGCDRN CN(C)C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccc(F)cc1 ZINC000877533371 623929069 /nfs/dbraw/zinc/92/90/69/623929069.db2.gz NRDTUQHQXQPZNC-OAHLLOKOSA-N 0 0 324.346 3.202 20 10 DGCDRN COCc1cc(NCc2c(C)cccc2O)cc(C(=O)OC)c1 ZINC000877547490 623936029 /nfs/dbraw/zinc/93/60/29/623936029.db2.gz YMCQOTDNKASZOA-UHFFFAOYSA-N 0 0 315.369 3.246 20 10 DGCDRN COc1cc(C)ccc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000780520761 623942947 /nfs/dbraw/zinc/94/29/47/623942947.db2.gz ROKBDTQGDUDKHS-UHFFFAOYSA-N 0 0 316.376 3.139 20 10 DGCDRN C[C@@H](O)[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccccc1F ZINC000877611749 623961667 /nfs/dbraw/zinc/96/16/67/623961667.db2.gz ZAXYVPRNGBDDCP-RFAUZJTJSA-N 0 0 311.303 3.021 20 10 DGCDRN Cc1ccc(CN[C@@H](C[C@@H]2CCCO2)C(F)(F)F)c(O)c1 ZINC000877618989 623964443 /nfs/dbraw/zinc/96/44/43/623964443.db2.gz LDMGNVNAUQXNHP-JSGCOSHPSA-N 0 0 303.324 3.290 20 10 DGCDRN Cc1ccccc1C[C@H]1CCCN1C(=O)c1cccc(O)c1O ZINC000790716046 625689295 /nfs/dbraw/zinc/68/92/95/625689295.db2.gz GQNCFIROQLNCLN-OAHLLOKOSA-N 0 0 311.381 3.254 20 10 DGCDRN Cc1ccc(CN2C[C@@H](C)O[C@H](CC(F)(F)F)C2)c(O)c1 ZINC000877639674 623973726 /nfs/dbraw/zinc/97/37/26/623973726.db2.gz OLFUOSRBBDBRLY-DGCLKSJQSA-N 0 0 303.324 3.242 20 10 DGCDRN CC[C@H]1C[C@H](CN(C)c2cc(OC)c(OC)c(OC)c2)CCO1 ZINC000780775249 623982085 /nfs/dbraw/zinc/98/20/85/623982085.db2.gz SUQXLKJCOMEBBZ-HIFRSBDPSA-N 0 0 323.433 3.354 20 10 DGCDRN CCOc1ccc(CN(C)c2ccc3c(c2)OCO3)c(O)c1 ZINC000780778557 623982310 /nfs/dbraw/zinc/98/23/10/623982310.db2.gz MHCRAJVEIYSRIF-UHFFFAOYSA-N 0 0 301.342 3.156 20 10 DGCDRN CN(Cc1cc(-c2ccccc2)n[nH]1)c1ccc2c(c1)OCO2 ZINC000780778875 623982314 /nfs/dbraw/zinc/98/23/14/623982314.db2.gz VXGXUBLHFWXUID-UHFFFAOYSA-N 0 0 307.353 3.442 20 10 DGCDRN COC(=O)C[C@@H]1CN(Cc2ccc(N(C)C)cc2)c2ccccc21 ZINC000780774168 623982493 /nfs/dbraw/zinc/98/24/93/623982493.db2.gz JWRXRAVHFYVZCS-MRXNPFEDSA-N 0 0 324.424 3.420 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[C@@H](C)C1 ZINC000780801601 623986434 /nfs/dbraw/zinc/98/64/34/623986434.db2.gz YJJTYXCUCRRIOR-ZBFHGGJFSA-N 0 0 303.450 3.473 20 10 DGCDRN [O-]c1c(C[N@H+]2CC[C@H](O)C[C@@H]2c2ccccc2)ccc(F)c1F ZINC000877673739 623986936 /nfs/dbraw/zinc/98/69/36/623986936.db2.gz QXVFGPQPHOLZKE-GOEBONIOSA-N 0 0 319.351 3.368 20 10 DGCDRN Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2F)c(Cl)c1 ZINC000780838570 623988882 /nfs/dbraw/zinc/98/88/82/623988882.db2.gz ZRTKTKLRIPHIJZ-UHFFFAOYSA-N 0 0 315.753 3.294 20 10 DGCDRN O=S(=O)(Nc1ccc(O)cc1F)c1cccc(Cl)c1F ZINC000780837313 623988980 /nfs/dbraw/zinc/98/89/80/623988980.db2.gz FXGCMGTYYGRYAL-UHFFFAOYSA-N 0 0 319.716 3.125 20 10 DGCDRN Cc1ccc(C(=O)N[C@H](C)Cc2ccccc2Cl)c(O)c1O ZINC000780891851 623994582 /nfs/dbraw/zinc/99/45/82/623994582.db2.gz AKGSSTQJXVSJGS-LLVKDONJSA-N 0 0 319.788 3.421 20 10 DGCDRN CCN(CC)c1ccc(CN[C@@H](C(=O)OC)C(C)(C)C)cc1 ZINC000780893561 623995676 /nfs/dbraw/zinc/99/56/76/623995676.db2.gz QOFNWMKZNHZLBB-INIZCTEOSA-N 0 0 306.450 3.210 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000877728878 624006020 /nfs/dbraw/zinc/00/60/20/624006020.db2.gz UFHYMSRWJCBXSD-LBPRGKRZSA-N 0 0 313.800 3.481 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000877730112 624006613 /nfs/dbraw/zinc/00/66/13/624006613.db2.gz MSAPPQPQCMNZKL-FZMZJTMJSA-N 0 0 313.800 3.337 20 10 DGCDRN CCc1c(NC(=O)c2ccc(C)c(O)c2O)cnn1CC(C)C ZINC000780996720 624008907 /nfs/dbraw/zinc/00/89/07/624008907.db2.gz ZSEIILMOLMDFFR-UHFFFAOYSA-N 0 0 317.389 3.073 20 10 DGCDRN COC(=O)CC[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000877818958 624050530 /nfs/dbraw/zinc/05/05/30/624050530.db2.gz UCRGHUMDHCFNAZ-GFCCVEGCSA-N 0 0 311.809 3.211 20 10 DGCDRN CN(C)c1ccc(CN2CCO[C@H](C(F)(F)F)CC2)cc1F ZINC000877820783 624052130 /nfs/dbraw/zinc/05/21/30/624052130.db2.gz SLGJOZXMLCZQOO-AWEZNQCLSA-N 0 0 320.330 3.045 20 10 DGCDRN CC[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@@H](O)c1ccccc1 ZINC000877832537 624061567 /nfs/dbraw/zinc/06/15/67/624061567.db2.gz NDQMUUKONVACEL-HOCLYGCPSA-N 0 0 307.340 3.272 20 10 DGCDRN O=C1N[C@H](c2c(O)cccc2Br)Nc2ccccc21 ZINC000877842177 624066038 /nfs/dbraw/zinc/06/60/38/624066038.db2.gz AKPPQEIRNFYMMW-CYBMUJFWSA-N 0 0 319.158 3.009 20 10 DGCDRN O=C1N[C@@H](c2cc(Cl)ccc2O)Nc2cc(F)c(F)cc21 ZINC000877857998 624071423 /nfs/dbraw/zinc/07/14/23/624071423.db2.gz AJLSTOCJJZCGIN-ZDUSSCGKSA-N 0 0 310.687 3.178 20 10 DGCDRN CC1(C)N[C@H](c2cc(F)ccc2O)N(CC2CCCCC2)C1=O ZINC000877857505 624071512 /nfs/dbraw/zinc/07/15/12/624071512.db2.gz SMSOETJEPJIBFN-INIZCTEOSA-N 0 0 320.408 3.321 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1cccc(Cl)c1[O-] ZINC000806148755 624077782 /nfs/dbraw/zinc/07/77/82/624077782.db2.gz YAQMGBGJDIKWKY-FIXIBIHLSA-N 0 0 322.836 3.096 20 10 DGCDRN Cc1nnc(CCOc2ccc3c(c2)c2c(n3C)CCCC2)o1 ZINC000877884996 624078952 /nfs/dbraw/zinc/07/89/52/624078952.db2.gz LJDMBVMYYWKQBA-UHFFFAOYSA-N 0 0 311.385 3.370 20 10 DGCDRN COC(=O)[C@@H]1CCCCCN1Cc1cc(Cl)cc(C)c1O ZINC000781526424 624087692 /nfs/dbraw/zinc/08/76/92/624087692.db2.gz DCLWQXGDYVFANZ-AWEZNQCLSA-N 0 0 311.809 3.272 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)CC[C@H]2CC(C)(C)CO2)cc1 ZINC000877975546 624120227 /nfs/dbraw/zinc/12/02/27/624120227.db2.gz KKPMZWXFWPDQSU-KRWDZBQOSA-N 0 0 318.461 3.306 20 10 DGCDRN CCCCc1nnc(NC(=O)N[C@H](C)c2ccccc2O)s1 ZINC000877978236 624121777 /nfs/dbraw/zinc/12/17/77/624121777.db2.gz BOHIKEVQKPPKRE-SNVBAGLBSA-N 0 0 320.418 3.469 20 10 DGCDRN Cc1csc(C(=O)NCCc2ccc(O)c(O)c2)c1Cl ZINC000790794263 625698583 /nfs/dbraw/zinc/69/85/83/625698583.db2.gz PTBMZLALIQVJSG-UHFFFAOYSA-N 0 0 311.790 3.094 20 10 DGCDRN C[C@H](NC(=O)c1csc(Cl)n1)c1ccc(N(C)C)cc1 ZINC000781993145 624185477 /nfs/dbraw/zinc/18/54/77/624185477.db2.gz BCGMCRDXMSNXTD-VIFPVBQESA-N 0 0 309.822 3.354 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCCN2c2ccccc2)cc1 ZINC000782008670 624186631 /nfs/dbraw/zinc/18/66/31/624186631.db2.gz QVRQORWUEJEVAG-IBGZPJMESA-N 0 0 323.440 3.038 20 10 DGCDRN Cc1cc(C(F)(F)F)nc(NCc2ccc(N(C)C)cc2)n1 ZINC000782046234 624194259 /nfs/dbraw/zinc/19/42/59/624194259.db2.gz YPUFTGXLOISGCF-UHFFFAOYSA-N 0 0 310.323 3.482 20 10 DGCDRN C[C@@H]1CC[C@]2(CCN(C(=O)/C=C\c3ccc(O)c(O)c3)C2)C1 ZINC000782110743 624205469 /nfs/dbraw/zinc/20/54/69/624205469.db2.gz LJYQTKMLVFLCFC-JGFIGRAGSA-N 0 0 301.386 3.150 20 10 DGCDRN CCN(CCCS(=O)(=O)C(C)(C)C)c1ccc(OC)cc1 ZINC000878219056 624219405 /nfs/dbraw/zinc/21/94/05/624219405.db2.gz FDCRISUIPMZMLN-UHFFFAOYSA-N 0 0 313.463 3.125 20 10 DGCDRN CCOc1ccc(N(CC)C[C@@H]2CC3(CO2)CCOCC3)cc1 ZINC000878220673 624220182 /nfs/dbraw/zinc/22/01/82/624220182.db2.gz NJUDQCTVKFEPSL-SFHVURJKSA-N 0 0 319.445 3.497 20 10 DGCDRN COCC[C@@H](C)OC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000782483737 624256615 /nfs/dbraw/zinc/25/66/15/624256615.db2.gz SUSAUHWWOMHYCE-SNVBAGLBSA-N 0 0 308.403 3.077 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cnc2c(c1)CCCC2 ZINC000782839306 624285099 /nfs/dbraw/zinc/28/50/99/624285099.db2.gz KEQYVNNSWRPUNN-SOFGYWHQSA-N 0 0 310.353 3.024 20 10 DGCDRN C[C@@H](NC(=O)Nc1cnc(C(C)(C)C)nc1)c1ccccc1O ZINC000878472616 624285346 /nfs/dbraw/zinc/28/53/46/624285346.db2.gz RYOZFEXHCDLEAD-LLVKDONJSA-N 0 0 314.389 3.362 20 10 DGCDRN Cc1c2nc(NC(=O)c3cccc(O)c3O)sc2ccc1F ZINC000790878176 625711396 /nfs/dbraw/zinc/71/13/96/625711396.db2.gz PSDRYPYDPNBIEX-UHFFFAOYSA-N 0 0 318.329 3.407 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)C[C@@H](C)O ZINC000783630839 624377194 /nfs/dbraw/zinc/37/71/94/624377194.db2.gz KZURZIXLLWKUJX-ZWNOBZJWSA-N 0 0 306.431 3.045 20 10 DGCDRN C[C@H](N[C@@H](C)c1ncc(Br)cn1)c1ccccc1O ZINC000805749218 624378052 /nfs/dbraw/zinc/37/80/52/624378052.db2.gz WQGUVPNQGAOWHK-UWVGGRQHSA-N 0 0 322.206 3.357 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000790922624 625715982 /nfs/dbraw/zinc/71/59/82/625715982.db2.gz RTEXWOOQTXOZMS-SSCKCOOKSA-N 0 0 309.365 3.416 20 10 DGCDRN C[C@@H]1CN(Cc2cc(Br)ccc2O)[C@H](C)[C@@H](C)O1 ZINC000783738880 624389525 /nfs/dbraw/zinc/38/95/25/624389525.db2.gz YHKIJZVYMDOLOE-GMTAPVOTSA-N 0 0 314.223 3.152 20 10 DGCDRN C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000790934287 625717398 /nfs/dbraw/zinc/71/73/98/625717398.db2.gz JTQPVNNUOFFOIO-WDEREUQCSA-N 0 0 301.789 3.310 20 10 DGCDRN CC(C)[C@@H](CC(F)(F)F)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000783870601 624402997 /nfs/dbraw/zinc/40/29/97/624402997.db2.gz XQWXXTOPBFNXNB-VLWUPBBWSA-N 0 0 317.307 3.204 20 10 DGCDRN CC(C)C(C)(C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000784076882 624433257 /nfs/dbraw/zinc/43/32/57/624433257.db2.gz HXJROGXVYYHYRE-HNNXBMFYSA-N 0 0 318.461 3.383 20 10 DGCDRN CC(C)C(C)(C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000784076884 624433542 /nfs/dbraw/zinc/43/35/42/624433542.db2.gz HXJROGXVYYHYRE-OAHLLOKOSA-N 0 0 318.461 3.383 20 10 DGCDRN C[C@H](C1CC1)n1nccc1NC(=O)N[C@@H](C)c1ccccc1O ZINC000879272323 624477651 /nfs/dbraw/zinc/47/76/51/624477651.db2.gz ACCDQYNXFGGBGA-NWDGAFQWSA-N 0 0 314.389 3.442 20 10 DGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@@H]2CCCCS2)c1[O-] ZINC000784619338 624558985 /nfs/dbraw/zinc/55/89/85/624558985.db2.gz ZJXFZPKPBWWNOA-NSHDSACASA-N 0 0 316.810 3.329 20 10 DGCDRN CCOc1ccc(CNc2cn(C)nc2-c2ccccn2)c(O)c1 ZINC000784617192 624559004 /nfs/dbraw/zinc/55/90/04/624559004.db2.gz MENOOINTYDEZHL-UHFFFAOYSA-N 0 0 324.384 3.199 20 10 DGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCCOCC1 ZINC000784940538 624600893 /nfs/dbraw/zinc/60/08/93/624600893.db2.gz ZHROWCDFGMXOIE-KRWDZBQOSA-N 0 0 316.445 3.110 20 10 DGCDRN C[C@@H](NCc1ncsc1Br)c1ccccc1O ZINC000879650150 624622967 /nfs/dbraw/zinc/62/29/67/624622967.db2.gz MDRMXZIHSDNEGT-MRVPVSSYSA-N 0 0 313.220 3.462 20 10 DGCDRN CCS[C@H](C)c1noc(CN[C@@H](C)c2ccccc2O)n1 ZINC000879651446 624624287 /nfs/dbraw/zinc/62/42/87/624624287.db2.gz WGIXGMFBBCWMIG-WDEREUQCSA-N 0 0 307.419 3.440 20 10 DGCDRN Clc1ccc(C2=CCN(c3ncncc3Cl)CC2)cn1 ZINC000786799563 624954883 /nfs/dbraw/zinc/95/48/83/624954883.db2.gz NUSLOGWZCJKPGE-UHFFFAOYSA-N 0 0 307.184 3.472 20 10 DGCDRN C[C@@H]1CCCC[C@@H]1N(C)C(=O)COc1ccc(N(C)C)cc1 ZINC000786876301 624960000 /nfs/dbraw/zinc/96/00/00/624960000.db2.gz KWSWXNPTIQQANP-PBHICJAKSA-N 0 0 304.434 3.169 20 10 DGCDRN CO[C@H](CC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C(F)(F)F ZINC000786955400 624967691 /nfs/dbraw/zinc/96/76/91/624967691.db2.gz ZJXSQHWRXHFKSZ-RDDDGLTNSA-N 0 0 313.266 3.288 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Cc2ccsc2C)c1 ZINC000787131621 624982609 /nfs/dbraw/zinc/98/26/09/624982609.db2.gz QLQPYSFZJDYSRU-SNVBAGLBSA-N 0 0 305.399 3.191 20 10 DGCDRN C[C@H](NC(=O)NC1(C2CC2)CCC1)c1ccc(N(C)C)cc1 ZINC000888829536 625005132 /nfs/dbraw/zinc/00/51/32/625005132.db2.gz IDJDIWIVEMQBMA-ZDUSSCGKSA-N 0 0 301.434 3.446 20 10 DGCDRN O=C(NCc1ccccc1O)c1c[nH]cc1-c1ccccc1F ZINC000787445424 625010696 /nfs/dbraw/zinc/01/06/96/625010696.db2.gz LHMNNUPJGSNBRR-UHFFFAOYSA-N 0 0 310.328 3.456 20 10 DGCDRN Cc1ccc(CCCN2CCOc3cc(N(C)C)ccc32)cn1 ZINC000787773773 625049368 /nfs/dbraw/zinc/04/93/68/625049368.db2.gz FBJAMRDRIFNMOT-UHFFFAOYSA-N 0 0 311.429 3.288 20 10 DGCDRN O=C1NC(=S)S/C1=C/c1ccc(F)cc1Br ZINC000128671874 625082025 /nfs/dbraw/zinc/08/20/25/625082025.db2.gz ZOQFBEOMPOSQHX-FPYGCLRLSA-N 0 0 318.192 3.077 20 10 DGCDRN Cc1cc(C(=O)OCc2ccncc2)c(C)n1-c1ccccn1 ZINC000787989667 625083673 /nfs/dbraw/zinc/08/36/73/625083673.db2.gz YKDXHLORKSOSDL-UHFFFAOYSA-N 0 0 307.353 3.241 20 10 DGCDRN O=C(NCCc1ccccc1OC(F)F)C1=CC(=O)CS1 ZINC000788590576 625221991 /nfs/dbraw/zinc/22/19/91/625221991.db2.gz BHFAFADVEFNPHZ-UHFFFAOYSA-N 0 0 313.325 3.028 20 10 DGCDRN C[C@H](Cn1cccn1)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788646169 625235081 /nfs/dbraw/zinc/23/50/81/625235081.db2.gz BKDRZJFGDLXNQG-GHMZBOCLSA-N 0 0 313.323 3.347 20 10 DGCDRN C=C/C(C)=C/CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000788655294 625236713 /nfs/dbraw/zinc/23/67/13/625236713.db2.gz QGJQLDCKCXZYDL-OBHPCNEJSA-N 0 0 315.413 3.422 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3nc(Cl)cs3)ccc21 ZINC000788742762 625256373 /nfs/dbraw/zinc/25/63/73/625256373.db2.gz RKMIXQDZCGJVKS-UHFFFAOYSA-N 0 0 321.833 3.109 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1nn(C)cc1Cl ZINC000881182775 625272055 /nfs/dbraw/zinc/27/20/55/625272055.db2.gz UCBNYJGAYQBLSS-UHFFFAOYSA-N 0 0 322.796 3.223 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCn1cnc2ccccc21 ZINC000790958951 625723469 /nfs/dbraw/zinc/72/34/69/625723469.db2.gz UYAATSZJFLRPHZ-UHFFFAOYSA-N 0 0 319.767 3.324 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H](CO)C1CCCCC1 ZINC000790970502 625725428 /nfs/dbraw/zinc/72/54/28/625725428.db2.gz JXKSUFFABZWKOA-CYBMUJFWSA-N 0 0 301.789 3.216 20 10 DGCDRN Cc1ccc(C[C@@H](CO)[NH2+]Cc2c([O-])ccc(Cl)c2F)cc1 ZINC000790990803 625732381 /nfs/dbraw/zinc/73/23/81/625732381.db2.gz FWVVSCUSKCSINS-ZDUSSCGKSA-N 0 0 323.795 3.186 20 10 DGCDRN Cc1nc2c(cccc2C(=O)NCc2ccc(N(C)C)cc2)o1 ZINC000791480043 625809892 /nfs/dbraw/zinc/80/98/92/625809892.db2.gz XVGYGHBRFQETLF-UHFFFAOYSA-N 0 0 309.369 3.132 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000882810099 625823254 /nfs/dbraw/zinc/82/32/54/625823254.db2.gz MFIAHFZOGPCTNS-CYBMUJFWSA-N 0 0 314.410 3.079 20 10 DGCDRN CC[C@H](SC)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000130275689 625833999 /nfs/dbraw/zinc/83/39/99/625833999.db2.gz UWKUAJLQXHIKLI-HNNXBMFYSA-N 0 0 312.454 3.430 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000882914332 625857637 /nfs/dbraw/zinc/85/76/37/625857637.db2.gz OXIXABYMWRTXBX-UHFFFAOYSA-N 0 0 318.367 3.429 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[N@H+](CCO)CCc1ccccc1 ZINC000792166868 625917915 /nfs/dbraw/zinc/91/79/15/625917915.db2.gz UUJRJVGSBCVBHP-UHFFFAOYSA-N 0 0 323.795 3.222 20 10 DGCDRN COCC[C@H](Cc1ccco1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883086511 625921826 /nfs/dbraw/zinc/92/18/26/625921826.db2.gz XPLQTQBYSXVKOC-CYBMUJFWSA-N 0 0 311.328 3.001 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ccn(C2CCCCC2)n1 ZINC000792226276 625928157 /nfs/dbraw/zinc/92/81/57/625928157.db2.gz QLPNABJLIZDODL-UHFFFAOYSA-N 0 0 313.401 3.366 20 10 DGCDRN O=C(CCSCc1ccccc1)NCc1ccccc1O ZINC000792240744 625930507 /nfs/dbraw/zinc/93/05/07/625930507.db2.gz ZVNFTXKFPBYYRS-UHFFFAOYSA-N 0 0 301.411 3.332 20 10 DGCDRN CO[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])Cc1ccccc1 ZINC000883132021 625937914 /nfs/dbraw/zinc/93/79/14/625937914.db2.gz CSHIJIHAUNGCBH-HNNXBMFYSA-N 0 0 307.340 3.018 20 10 DGCDRN COC[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1cccc(OC)c1 ZINC000883167157 625950612 /nfs/dbraw/zinc/95/06/12/625950612.db2.gz REFNJCSWXKEFBW-INIZCTEOSA-N 0 0 323.339 3.156 20 10 DGCDRN Cc1cncc(/C=C/C(=O)N2C[C@@H](C)Oc3cc(F)ccc32)c1 ZINC000131143744 625951044 /nfs/dbraw/zinc/95/10/44/625951044.db2.gz NKQIQHSHUUVRQS-VUUYWXRKSA-N 0 0 312.344 3.356 20 10 DGCDRN COCc1ccc(NCc2cc(F)cc(F)c2O)cc1OC ZINC000883191204 625963343 /nfs/dbraw/zinc/96/33/43/625963343.db2.gz WPYWIOLXKXSCTJ-UHFFFAOYSA-N 0 0 309.312 3.438 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCSCCC(F)(F)F ZINC000883198594 625967343 /nfs/dbraw/zinc/96/73/43/625967343.db2.gz MKHKZZCYNFNPGJ-UHFFFAOYSA-N 0 0 315.307 3.446 20 10 DGCDRN Cc1oc(C(C)C)nc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000796500544 626056579 /nfs/dbraw/zinc/05/65/79/626056579.db2.gz IEXJNXXJROLMCD-UHFFFAOYSA-N 0 0 315.417 3.411 20 10 DGCDRN CC[C@H]([NH2+]C[C@H](O)COc1ccccc1)c1ccc(F)cc1[O-] ZINC000796680639 626073360 /nfs/dbraw/zinc/07/33/60/626073360.db2.gz XJZHWQYZCNCHJB-YOEHRIQHSA-N 0 0 319.376 3.012 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1ccc(F)cc1[O-] ZINC000796819440 626086313 /nfs/dbraw/zinc/08/63/13/626086313.db2.gz XNGJNFIXYZURFW-CVEARBPZSA-N 0 0 307.340 3.445 20 10 DGCDRN CC[C@@H]([NH2+][C@H](CO)c1cccc(F)c1)c1ccc(F)cc1[O-] ZINC000796819442 626086434 /nfs/dbraw/zinc/08/64/34/626086434.db2.gz XNGJNFIXYZURFW-HZPDHXFCSA-N 0 0 307.340 3.445 20 10 DGCDRN C[C@H](Cn1ncc2ccccc21)C(=O)N(C)Cc1ccccc1O ZINC000797188710 626123618 /nfs/dbraw/zinc/12/36/18/626123618.db2.gz JKLWPXTZOKFONK-CQSZACIVSA-N 0 0 323.396 3.037 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000797190964 626124142 /nfs/dbraw/zinc/12/41/42/626124142.db2.gz SIDRNSLTQMVOFQ-JQWIXIFHSA-N 0 0 301.308 3.329 20 10 DGCDRN COc1ccc(CNC(=O)Nc2cccc(F)c2F)c(O)c1 ZINC000797619026 626160482 /nfs/dbraw/zinc/16/04/82/626160482.db2.gz PEHSGRKIAWNTLR-UHFFFAOYSA-N 0 0 308.284 3.001 20 10 DGCDRN COc1ccc(CNC(=O)Nc2ccc(F)c(C)c2)c(O)c1 ZINC000797623073 626160532 /nfs/dbraw/zinc/16/05/32/626160532.db2.gz HPRCYUUSCGHTGC-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN COc1cc(CN2CC(OC(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000797821472 626171327 /nfs/dbraw/zinc/17/13/27/626171327.db2.gz VERDCXWWNUQVKM-UHFFFAOYSA-N 0 0 315.360 3.122 20 10 DGCDRN C[C@H]([NH2+]CC[C@H](C)[S@@](C)=O)c1cccc(C(F)(F)F)c1[O-] ZINC000798181489 626200219 /nfs/dbraw/zinc/20/02/19/626200219.db2.gz KPLBNRJYKBVIFH-SWHJWPDWSA-N 0 0 323.380 3.219 20 10 DGCDRN C[C@@H](c1ncc(Br)cn1)N(C)Cc1ccccc1O ZINC000798194730 626201282 /nfs/dbraw/zinc/20/12/82/626201282.db2.gz AEVUWEHVHZXNFS-JTQLQIEISA-N 0 0 322.206 3.138 20 10 DGCDRN COc1ccc(N(CC[S@@](C)=O)Cc2ccccc2)cc1 ZINC000798198256 626201584 /nfs/dbraw/zinc/20/15/84/626201584.db2.gz XNLQAQKQYVQUIU-OAQYLSRUSA-N 0 0 303.427 3.080 20 10 DGCDRN C[C@@H]1CCC[C@@H]1CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000798512237 626222949 /nfs/dbraw/zinc/22/29/49/626222949.db2.gz GCEPPNLVRWKPRR-GDBMZVCRSA-N 0 0 303.450 3.330 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](CO)CC1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000798937663 626261455 /nfs/dbraw/zinc/26/14/55/626261455.db2.gz NQOKREGYVSCXTF-TZMCWYRMSA-N 0 0 322.405 3.140 20 10 DGCDRN CSc1ccc([C@@H](C)NC(=O)c2cccc(O)c2O)cc1 ZINC000799066928 626269535 /nfs/dbraw/zinc/26/95/35/626269535.db2.gz KEWMWZWYUDSYMD-SNVBAGLBSA-N 0 0 303.383 3.311 20 10 DGCDRN COc1ccc(N(Cc2cnc(OC)nc2C)CC(C)C)cc1 ZINC000799129053 626275644 /nfs/dbraw/zinc/27/56/44/626275644.db2.gz MFUAIAWOUFNRME-UHFFFAOYSA-N 0 0 315.417 3.465 20 10 DGCDRN COc1ncc(CN(C)c2ccc(OC(C)C)cc2)c(C)n1 ZINC000799168258 626277461 /nfs/dbraw/zinc/27/74/61/626277461.db2.gz HZJNTDHBUOEWTJ-UHFFFAOYSA-N 0 0 301.390 3.217 20 10 DGCDRN COC(=O)CC1(CN2CCCCc3cc(OC)ccc32)CC1 ZINC000799311434 626288075 /nfs/dbraw/zinc/28/80/75/626288075.db2.gz UYMHMVNFZNUIEC-UHFFFAOYSA-N 0 0 303.402 3.181 20 10 DGCDRN C[C@@H]1C[C@H](C)[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)O1 ZINC000800328532 626352021 /nfs/dbraw/zinc/35/20/21/626352021.db2.gz OJZHBPOZCUVPRO-DAYGRLMNSA-N 0 0 316.445 3.107 20 10 DGCDRN C[C@@H]1C[C@@H](C)[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)O1 ZINC000800328540 626352331 /nfs/dbraw/zinc/35/23/31/626352331.db2.gz OJZHBPOZCUVPRO-RKVPGOIHSA-N 0 0 316.445 3.107 20 10 DGCDRN CCOc1ccc([C@H]2NC(C)(C)C(=O)N2CC(C)(C)C)c(O)c1 ZINC000840827212 626353878 /nfs/dbraw/zinc/35/38/78/626353878.db2.gz CONMSWXOHFYXTC-HNNXBMFYSA-N 0 0 320.433 3.046 20 10 DGCDRN Cc1ncsc1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839915622 626370105 /nfs/dbraw/zinc/37/01/05/626370105.db2.gz IQBCPHRZWKVEAK-GFCCVEGCSA-N 0 0 317.458 3.187 20 10 DGCDRN CSC[C@H](C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839917868 626371288 /nfs/dbraw/zinc/37/12/88/626371288.db2.gz IMBWZRXRRAPOPN-KBPBESRZSA-N 0 0 308.491 3.107 20 10 DGCDRN CCN(CC)c1ccc(CN(C)c2nnc(C3CC3)n2C)cc1 ZINC000800724489 626372514 /nfs/dbraw/zinc/37/25/14/626372514.db2.gz RJLOXHILARVNLS-UHFFFAOYSA-N 0 0 313.449 3.175 20 10 DGCDRN C[C@H]1CCCN(c2ccc(CNC(=O)N3CCC3)cc2Cl)C1 ZINC000800719361 626372639 /nfs/dbraw/zinc/37/26/39/626372639.db2.gz JXGWGAKNTPEZIM-ZDUSSCGKSA-N 0 0 321.852 3.492 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C[C@@H]1CCCCO1 ZINC000839918933 626372663 /nfs/dbraw/zinc/37/26/63/626372663.db2.gz DRLGOHQBMHFOJN-YJBOKZPZSA-N 0 0 318.461 3.067 20 10 DGCDRN Cc1nscc1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839920341 626373172 /nfs/dbraw/zinc/37/31/72/626373172.db2.gz PMFSTPLHDCIFHH-GFCCVEGCSA-N 0 0 317.458 3.187 20 10 DGCDRN COCCC[C@@H](C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839920211 626373302 /nfs/dbraw/zinc/37/33/02/626373302.db2.gz NHXXSYXIVXFFGG-ZBFHGGJFSA-N 0 0 320.477 3.171 20 10 DGCDRN COCCC[C@H](C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839920210 626373429 /nfs/dbraw/zinc/37/34/29/626373429.db2.gz NHXXSYXIVXFFGG-HOCLYGCPSA-N 0 0 320.477 3.171 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1C[C@H]1C(C)C ZINC000839919695 626373501 /nfs/dbraw/zinc/37/35/01/626373501.db2.gz JHJAEIZMZJOFDY-JCGIZDLHSA-N 0 0 302.462 3.400 20 10 DGCDRN COC1(CC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CCC1 ZINC000839920658 626373693 /nfs/dbraw/zinc/37/36/93/626373693.db2.gz CODBTLBDWWOZRF-HNNXBMFYSA-N 0 0 318.461 3.067 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CSC(F)F ZINC000839921883 626373935 /nfs/dbraw/zinc/37/39/35/626373935.db2.gz LKVUIQDISNPSSW-NSHDSACASA-N 0 0 316.417 3.064 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@]1(C)CCCCO1 ZINC000839921312 626374113 /nfs/dbraw/zinc/37/41/13/626374113.db2.gz CHKIEOCDLBUWDZ-DNVCBOLYSA-N 0 0 318.461 3.067 20 10 DGCDRN Cc1cc(C)nc(C(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000800870719 626381236 /nfs/dbraw/zinc/38/12/36/626381236.db2.gz RIOIYQKVXBLJJO-UHFFFAOYSA-N 0 0 309.413 3.011 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H](COC)C(C)C ZINC000802190711 626435238 /nfs/dbraw/zinc/43/52/38/626435238.db2.gz BBBVHNPOHNRMNI-MRXNPFEDSA-N 0 0 322.449 3.375 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)c1cn[nH]c1 ZINC000802266691 626439045 /nfs/dbraw/zinc/43/90/45/626439045.db2.gz UHZIFZNJIBFKES-ZDUSSCGKSA-N 0 0 316.405 3.188 20 10 DGCDRN Cc1cc(C(=O)N2CCOCC23CC3)c(C)n1-c1ccccc1C ZINC000802291578 626557676 /nfs/dbraw/zinc/55/76/76/626557676.db2.gz JZCZGTRPINRNBN-UHFFFAOYSA-N 0 0 324.424 3.408 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCOC[C@@H]1C ZINC000802304662 626558487 /nfs/dbraw/zinc/55/84/87/626558487.db2.gz JGRYFCCKJNAKMH-HOCLYGCPSA-N 0 0 320.433 3.129 20 10 DGCDRN CCN(CC)c1ccc(CN2CCO[C@H](C(F)F)C2)cc1F ZINC000802652641 626565024 /nfs/dbraw/zinc/56/50/24/626565024.db2.gz FJHWMGFORZEXGL-HNNXBMFYSA-N 0 0 316.367 3.138 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2nc(C(C)C)oc2C)c1 ZINC000802781747 626571461 /nfs/dbraw/zinc/57/14/61/626571461.db2.gz GDHJOLQBACZCGK-SNVBAGLBSA-N 0 0 318.373 3.312 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Cc2coc3ccccc23)c1 ZINC000802782871 626571492 /nfs/dbraw/zinc/57/14/92/626571492.db2.gz AGCGIAQRVKCCQP-UHFFFAOYSA-N 0 0 311.337 3.006 20 10 DGCDRN Cc1oc(C2CC2)nc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000803121301 626595675 /nfs/dbraw/zinc/59/56/75/626595675.db2.gz PFJOIBVPSASCQK-NSHDSACASA-N 0 0 313.401 3.417 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1ccc(F)cc1[O-] ZINC000883263283 626628466 /nfs/dbraw/zinc/62/84/66/626628466.db2.gz OJXFSUYBTHNECO-DZGCQCFKSA-N 0 0 323.408 3.158 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1ccc(Cl)cc1[O-] ZINC000883275746 626633008 /nfs/dbraw/zinc/63/30/08/626633008.db2.gz AIGPSKUMJCQVHQ-YPMHNXCESA-N 0 0 309.793 3.140 20 10 DGCDRN CNC(=O)N(C)c1ccc(NCc2cc(C)c(C)cc2O)cc1 ZINC000883311482 626642299 /nfs/dbraw/zinc/64/22/99/626642299.db2.gz BDYMDQMEZMRGIR-UHFFFAOYSA-N 0 0 313.401 3.397 20 10 DGCDRN COc1ccc(N(C)Cc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000131634297 626660850 /nfs/dbraw/zinc/66/08/50/626660850.db2.gz ASIBWAYRMSNAKJ-UHFFFAOYSA-N 0 0 302.330 3.248 20 10 DGCDRN CN(C)c1cc(F)c(CNc2nn(C)cc2Cl)cc1F ZINC000883372827 626665085 /nfs/dbraw/zinc/66/50/85/626665085.db2.gz PLKNFEGSOUJQLT-UHFFFAOYSA-N 0 0 300.740 3.030 20 10 DGCDRN CCc1ccc(NCc2ccc(N3CCOCC3)c(F)c2)nc1 ZINC000883385389 626668944 /nfs/dbraw/zinc/66/89/44/626668944.db2.gz KXLXCPUDWAFIRJ-UHFFFAOYSA-N 0 0 315.392 3.232 20 10 DGCDRN CC[C@H]([NH2+][C@H]1CC(=O)N(CC2CC2)C1)c1cccc(Cl)c1[O-] ZINC000883395908 626672198 /nfs/dbraw/zinc/67/21/98/626672198.db2.gz DTLDHCJUMLVPBZ-WFASDCNBSA-N 0 0 322.836 3.097 20 10 DGCDRN COc1cccc(CNc2ccc([N+](=O)[O-])c(C(C)=O)c2)c1O ZINC000804424616 626678395 /nfs/dbraw/zinc/67/83/95/626678395.db2.gz MLOBDXCFQUQXOX-UHFFFAOYSA-N 0 0 316.313 3.124 20 10 DGCDRN COc1cccc(CNc2nccc(C)c2Br)c1O ZINC000804424104 626678569 /nfs/dbraw/zinc/67/85/69/626678569.db2.gz FMQSBNKRGCUIEY-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1nc(C(F)(F)F)ns1 ZINC000804605740 626697056 /nfs/dbraw/zinc/69/70/56/626697056.db2.gz WAMVZIBQXCVFDD-LURJTMIESA-N 0 0 319.308 3.011 20 10 DGCDRN CCO[C@@H]1COCC[C@H]1[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000806160474 626703041 /nfs/dbraw/zinc/70/30/41/626703041.db2.gz SASKNTTXHBQXFI-RBSFLKMASA-N 0 0 313.825 3.280 20 10 DGCDRN CC[C@H]([NH2+]Cc1cnn(C)n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000806168661 626703480 /nfs/dbraw/zinc/70/34/80/626703480.db2.gz WGZZNSZRCCSULR-NSHDSACASA-N 0 0 315.204 3.068 20 10 DGCDRN C[N@@H+](Cc1cccc(Br)c1[O-])C[C@H]1CCCCO1 ZINC000132601759 626729067 /nfs/dbraw/zinc/72/90/67/626729067.db2.gz QXXRHMDKJJVMNO-GFCCVEGCSA-N 0 0 314.223 3.156 20 10 DGCDRN CON(CC(C)(C)C)C(=O)NCCCSc1nccs1 ZINC000806958106 626741622 /nfs/dbraw/zinc/74/16/22/626741622.db2.gz DALUQTWOZHPAOO-UHFFFAOYSA-N 0 0 317.480 3.244 20 10 DGCDRN CC[C@@H]1CCC[C@H]1NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000132910598 626749677 /nfs/dbraw/zinc/74/96/77/626749677.db2.gz QFECKLVZPQFFBF-YWPYICTPSA-N 0 0 306.406 3.340 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CSC[C@@H]1C ZINC000807477652 626758479 /nfs/dbraw/zinc/75/84/79/626758479.db2.gz VRWPPKZJHOZGST-BBRMVZONSA-N 0 0 321.490 3.036 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[C@@H]1C ZINC000807557095 626759741 /nfs/dbraw/zinc/75/97/41/626759741.db2.gz UVMHLCJIFOEYDX-WMLDXEAASA-N 0 0 303.450 3.471 20 10 DGCDRN COc1cc(C)cc(CN2CC(C)(C)[C@H]2c2nccn2C)c1O ZINC000840110292 626765467 /nfs/dbraw/zinc/76/54/67/626765467.db2.gz XPOSXGBDEGGZLF-MRXNPFEDSA-N 0 0 315.417 3.026 20 10 DGCDRN CC(C)Cn1ncc(NC(=O)c2cccc(O)c2O)c1C1CC1 ZINC000807854558 626772443 /nfs/dbraw/zinc/77/24/43/626772443.db2.gz FQDNUZVTMISNFA-UHFFFAOYSA-N 0 0 315.373 3.080 20 10 DGCDRN CC1(C)[C@H](Oc2ccccc2)C[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC000807891573 626776014 /nfs/dbraw/zinc/77/60/14/626776014.db2.gz RBCWEQVLSJMDIR-LSDHHAIUSA-N 0 0 317.410 3.430 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(C2)CCCOC3)cc1 ZINC000807897653 626776228 /nfs/dbraw/zinc/77/62/28/626776228.db2.gz SCPJNKVNUZPPDW-UHFFFAOYSA-N 0 0 324.424 3.347 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@H](C)OC2CCCCCC2)c1 ZINC000133459855 626788971 /nfs/dbraw/zinc/78/89/71/626788971.db2.gz CKBBDGZVMXJJFX-ZDUSSCGKSA-N 0 0 321.417 3.145 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N(C)CC(F)(F)F ZINC000800001594 626789956 /nfs/dbraw/zinc/78/99/56/626789956.db2.gz HDFAZCKWPXQGHV-UHFFFAOYSA-N 0 0 317.355 3.189 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C(C)=O)cc1 ZINC000808094423 626791840 /nfs/dbraw/zinc/79/18/40/626791840.db2.gz NYLQZYDHFHDVOK-UHFFFAOYSA-N 0 0 318.369 3.011 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1cccc(Cl)c1 ZINC000808095314 626792388 /nfs/dbraw/zinc/79/23/88/626792388.db2.gz XTHNIXJBPSZHPW-UHFFFAOYSA-N 0 0 324.804 3.390 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)OCC(=O)C(F)F ZINC000800153934 626814593 /nfs/dbraw/zinc/81/45/93/626814593.db2.gz GHAFMEGRAYPEML-UHFFFAOYSA-N 0 0 321.323 3.394 20 10 DGCDRN O=C(COC(=O)C1=CC(=O)CS1)Cc1ccccc1Cl ZINC000800166224 626817388 /nfs/dbraw/zinc/81/73/88/626817388.db2.gz LXHMKOQSLRRJAK-UHFFFAOYSA-N 0 0 310.758 3.076 20 10 DGCDRN C[C@@H](OC(=O)C1=CC(=O)CS1)C(=O)C1(c2ccccc2)CC1 ZINC000808516562 626834784 /nfs/dbraw/zinc/83/47/84/626834784.db2.gz MOUHAUGODAQHDE-LLVKDONJSA-N 0 0 316.378 3.300 20 10 DGCDRN CSc1cc(C(=O)OCC(=O)C(C)=O)c(Cl)cc1Cl ZINC000808526464 626835995 /nfs/dbraw/zinc/83/59/95/626835995.db2.gz QUVLXYVZOXBANT-UHFFFAOYSA-N 0 0 321.181 3.030 20 10 DGCDRN O=C(NCc1ccccc1O)c1cc(F)ccc1Br ZINC000133770092 626838165 /nfs/dbraw/zinc/83/81/65/626838165.db2.gz AHONPYXTJOFPGV-UHFFFAOYSA-N 0 0 324.149 3.224 20 10 DGCDRN O=C(NCc1ccccc1O)c1ccccc1Br ZINC000133792309 626838978 /nfs/dbraw/zinc/83/89/78/626838978.db2.gz HYBJWVCWKGITEZ-UHFFFAOYSA-N 0 0 306.159 3.085 20 10 DGCDRN CCN(Cc1cnnn1-c1ccccc1)c1ccc(OC)cc1 ZINC000808734571 626856247 /nfs/dbraw/zinc/85/62/47/626856247.db2.gz CPXJGPNBCVICOP-UHFFFAOYSA-N 0 0 308.385 3.302 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1cccc(C(F)F)c1 ZINC000134882386 626890537 /nfs/dbraw/zinc/89/05/37/626890537.db2.gz NLQAUFLEWBPNTP-UHFFFAOYSA-N 0 0 322.311 3.400 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)CCC1CCC1 ZINC000809388951 626909018 /nfs/dbraw/zinc/90/90/18/626909018.db2.gz JURMVVAFZDQLNL-UHFFFAOYSA-N 0 0 324.490 3.095 20 10 DGCDRN CCC[N@H+](CCN1CCCC1)Cc1cc(Cl)cc(F)c1[O-] ZINC000809700397 626938836 /nfs/dbraw/zinc/93/88/36/626938836.db2.gz GEJGBZWSOAVCOZ-UHFFFAOYSA-N 0 0 314.832 3.493 20 10 DGCDRN CCN(C)C(=O)c1cccc(NCc2cc(OC)ccc2O)c1 ZINC000809726858 626942345 /nfs/dbraw/zinc/94/23/45/626942345.db2.gz WMAGCFDXIWMVLI-UHFFFAOYSA-N 0 0 314.385 3.105 20 10 DGCDRN CCOC(=O)c1ccc(CNCc2c(O)cccc2Cl)o1 ZINC000809743101 626944649 /nfs/dbraw/zinc/94/46/49/626944649.db2.gz LQJLZGVZLMCPGR-UHFFFAOYSA-N 0 0 309.749 3.105 20 10 DGCDRN CCOC(=O)c1cc(NCc2cc(C)c(C)cc2O)cn1C ZINC000809755151 626947699 /nfs/dbraw/zinc/94/76/99/626947699.db2.gz GAKJQDKXJGZXMW-UHFFFAOYSA-N 0 0 302.374 3.136 20 10 DGCDRN C[C@H](Cc1cnn(C)c1)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809775978 626951018 /nfs/dbraw/zinc/95/10/18/626951018.db2.gz NKOOXTHTSIOPOH-SECBINFHSA-N 0 0 314.216 3.153 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000809790366 626954548 /nfs/dbraw/zinc/95/45/48/626954548.db2.gz CIJGOPGYWBGNTK-LLVKDONJSA-N 0 0 307.752 3.451 20 10 DGCDRN CCN(CC)c1ccc(CN(C)[C@H](C)c2noc(C)n2)cc1 ZINC000809933012 626960471 /nfs/dbraw/zinc/96/04/71/626960471.db2.gz NIDKDRJORICEFW-CYBMUJFWSA-N 0 0 302.422 3.417 20 10 DGCDRN CCc1nnc(CN[C@H]2C[C@H](C)c3c2c(O)ccc3F)s1 ZINC000810259062 626993812 /nfs/dbraw/zinc/99/38/12/626993812.db2.gz AJHLZOZAJJUFKQ-WPRPVWTQSA-N 0 0 307.394 3.283 20 10 DGCDRN Cc1cccc2c1OC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])C2 ZINC000810259514 626994129 /nfs/dbraw/zinc/99/41/29/626994129.db2.gz KLSOKKBRPXQNFJ-SWLSCSKDSA-N 0 0 301.361 3.494 20 10 DGCDRN CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000810257052 626994182 /nfs/dbraw/zinc/99/41/82/626994182.db2.gz GQQRLOJFGBESKX-HLTSFMKQSA-N 0 0 320.202 3.368 20 10 DGCDRN C[C@]1(Cc2cccs2)CCCN1C(=O)c1cccc(O)c1O ZINC000885256455 626994413 /nfs/dbraw/zinc/99/44/13/626994413.db2.gz CZXTZSWGOITYQU-QGZVFWFLSA-N 0 0 317.410 3.397 20 10 DGCDRN CC[C@H]([NH2+]Cc1ccc(OC)nc1OC)c1ccc(F)cc1[O-] ZINC000810260525 626994621 /nfs/dbraw/zinc/99/46/21/626994621.db2.gz LGIFSROCSYMRIP-AWEZNQCLSA-N 0 0 320.364 3.184 20 10 DGCDRN COc1ccc(CNC(=O)Nc2ccnc(Cl)c2C)c(O)c1 ZINC000810282932 626996423 /nfs/dbraw/zinc/99/64/23/626996423.db2.gz AGDDBZFPLZQGAD-UHFFFAOYSA-N 0 0 321.764 3.079 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C(C)C)cn2)c1 ZINC000810347723 627002810 /nfs/dbraw/zinc/00/28/10/627002810.db2.gz LRZNZYDBLRHMRN-GFCCVEGCSA-N 0 0 314.385 3.410 20 10 DGCDRN CC1(C)C[C@@H](O)c2cccc(NC(=O)C3=CC(=O)CS3)c2O1 ZINC000885659896 627039277 /nfs/dbraw/zinc/03/92/77/627039277.db2.gz UJJPOUQQSGPZEG-GFCCVEGCSA-N 0 0 319.382 3.301 20 10 DGCDRN C[C@@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)c1c([O-])cccc1F ZINC000886509028 627154608 /nfs/dbraw/zinc/15/46/08/627154608.db2.gz XWCOPKKRIAKOCZ-DOMZBBRYSA-N 0 0 305.397 3.493 20 10 DGCDRN C[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1c([O-])cccc1F ZINC000886522759 627156640 /nfs/dbraw/zinc/15/66/40/627156640.db2.gz QIWYIJOLDYAFDG-NSHDSACASA-N 0 0 312.385 3.097 20 10 DGCDRN C[C@H]([NH2+]Cc1cccc2c1OCCO2)c1c([O-])cccc1F ZINC000886548024 627160772 /nfs/dbraw/zinc/16/07/72/627160772.db2.gz WGQVHVCZNNSHPX-NSHDSACASA-N 0 0 303.333 3.153 20 10 DGCDRN C[C@@H]([NH2+]CCCNC(=O)c1cccs1)c1c([O-])cccc1F ZINC000886547911 627160788 /nfs/dbraw/zinc/16/07/88/627160788.db2.gz UIEFAGBIXMSDHZ-LLVKDONJSA-N 0 0 322.405 3.064 20 10 DGCDRN C[C@H]([NH2+]CCc1cnc(C2CC2)nc1)c1c([O-])cccc1F ZINC000886557300 627163125 /nfs/dbraw/zinc/16/31/25/627163125.db2.gz XWFKCKNXEUEWRB-NSHDSACASA-N 0 0 301.365 3.092 20 10 DGCDRN Cc1ccccc1C[C@H](CO)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886597190 627170320 /nfs/dbraw/zinc/17/03/20/627170320.db2.gz YSLBJUXLKUNKGM-DZGCQCFKSA-N 0 0 303.377 3.094 20 10 DGCDRN C[C@H]([NH2+]C[C@@]1(CO)CCc2ccccc21)c1c([O-])cccc1F ZINC000886631883 627177237 /nfs/dbraw/zinc/17/72/37/627177237.db2.gz YMZDCVOOQRDKSC-ORAYPTAESA-N 0 0 315.388 3.058 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)c1c([O-])cccc1F ZINC000886649561 627180667 /nfs/dbraw/zinc/18/06/67/627180667.db2.gz DGLLMXJUWKJAGF-KGLIPLIRSA-N 0 0 323.408 3.158 20 10 DGCDRN O=C1/C(=C\c2cccc3c2CCOC3)SC(=S)N1C1CC1 ZINC000887272752 627239566 /nfs/dbraw/zinc/23/95/66/627239566.db2.gz UVKBBXFAPBHVNT-RIYZIHGNSA-N 0 0 317.435 3.123 20 10 DGCDRN O=C1/C(=C/c2cccc3c2CCOC3)SC(=S)N1C1CC1 ZINC000887272753 627239860 /nfs/dbraw/zinc/23/98/60/627239860.db2.gz UVKBBXFAPBHVNT-ZSOIEALJSA-N 0 0 317.435 3.123 20 10 DGCDRN CCOc1ccc(CN2CCCN2C(=O)OC(C)(C)C)c(O)c1 ZINC000811502671 627282467 /nfs/dbraw/zinc/28/24/67/627282467.db2.gz DIJNKPWZBXJLNA-UHFFFAOYSA-N 0 0 322.405 3.149 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CC[C@]2(C1)CCc1ccccc1O2 ZINC000811606984 627294669 /nfs/dbraw/zinc/29/46/69/627294669.db2.gz BMXXSPDNNFTBSX-KRWDZBQOSA-N 0 0 315.394 3.064 20 10 DGCDRN Cc1cc(C(=O)NCCc2cn[nH]c2)c(C)n1-c1cccc(C)c1 ZINC000811613000 627295278 /nfs/dbraw/zinc/29/52/78/627295278.db2.gz ZNJJEWSOHXUEGF-UHFFFAOYSA-N 0 0 322.412 3.098 20 10 DGCDRN Cc1ccc(F)c(NC(=S)NCc2ncccc2N(C)C)c1 ZINC000811709643 627309051 /nfs/dbraw/zinc/30/90/51/627309051.db2.gz FAEKXXCQEPHKAK-UHFFFAOYSA-N 0 0 318.421 3.082 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCOC2(CCC2)C1 ZINC000889011354 627370761 /nfs/dbraw/zinc/37/07/61/627370761.db2.gz RJKJMXAHAISBLP-HNNXBMFYSA-N 0 0 316.445 3.027 20 10 DGCDRN CC[C@@H](CNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)OC ZINC000812367938 627376386 /nfs/dbraw/zinc/37/63/86/627376386.db2.gz MXDWZQDGKKNFIM-INIZCTEOSA-N 0 0 318.392 3.388 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CS[C@H](C)C2)cc1 ZINC000840262035 627409808 /nfs/dbraw/zinc/40/98/08/627409808.db2.gz BVJGCRXEULHJAR-UKRRQHHQSA-N 0 0 321.490 3.226 20 10 DGCDRN Cn1nc2c(c1C[NH2+]Cc1c([O-])ccc(Cl)c1F)CCCC2 ZINC000812773761 627418959 /nfs/dbraw/zinc/41/89/59/627418959.db2.gz QPPLMGQZTJORPJ-UHFFFAOYSA-N 0 0 323.799 3.087 20 10 DGCDRN COc1c(O)c(CNc2ncc(Cl)cc2C)ccc1[N+](=O)[O-] ZINC000812784465 627419507 /nfs/dbraw/zinc/41/95/07/627419507.db2.gz PMCUJYDIUKXHLX-UHFFFAOYSA-N 0 0 323.736 3.278 20 10 DGCDRN O=C(N[C@@H]1C[C@H]2CCC[C@H]21)c1cc2cc(O)c(O)cc2s1 ZINC000889619317 627447357 /nfs/dbraw/zinc/44/73/57/627447357.db2.gz XLUIUBZCUNTUPG-FBIMIBRVSA-N 0 0 303.383 3.231 20 10 DGCDRN C=Cc1ccc(CCNC(=O)N(C)Cc2ccccc2O)cc1 ZINC000813201233 627467079 /nfs/dbraw/zinc/46/70/79/627467079.db2.gz RFMBNVUYXQWQHC-UHFFFAOYSA-N 0 0 310.397 3.419 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cccc(CO)c1 ZINC000813572805 627498603 /nfs/dbraw/zinc/49/86/03/627498603.db2.gz SCSBVXUUMCVTHP-UHFFFAOYSA-N 0 0 313.397 3.327 20 10 DGCDRN CC(=O)C(=O)CS[C@@H](C)c1cccc(Br)c1 ZINC000813582508 627499249 /nfs/dbraw/zinc/49/92/49/627499249.db2.gz NBVQQYAIZFRLBL-VIFPVBQESA-N 0 0 301.205 3.401 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NC[C@@H]2CCC[C@H]2C2CC2)c1 ZINC000840298384 627512713 /nfs/dbraw/zinc/51/27/13/627512713.db2.gz SYBVDUZMZVXMPV-BBRMVZONSA-N 0 0 318.417 3.026 20 10 DGCDRN c1nc([C@H](NCc2ccc3c(c2)CCO3)C2CCCCC2)n[nH]1 ZINC000813857496 627516054 /nfs/dbraw/zinc/51/60/54/627516054.db2.gz VSCFXQSMXBURJP-QGZVFWFLSA-N 0 0 312.417 3.151 20 10 DGCDRN Cc1cccc(CN2C[C@H](C(F)(F)F)OC(C)(C)C2)c1O ZINC000814176831 627546608 /nfs/dbraw/zinc/54/66/08/627546608.db2.gz VVXMVWURBJTHFM-GFCCVEGCSA-N 0 0 303.324 3.242 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC1(C)CC1 ZINC000840316756 627556948 /nfs/dbraw/zinc/55/69/48/627556948.db2.gz SHOCMAKLWAFSMG-CQSZACIVSA-N 0 0 303.450 3.091 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC[C@H](OC)C1 ZINC000814640628 627580978 /nfs/dbraw/zinc/58/09/78/627580978.db2.gz MRSODCQPKXBDNC-AEFFLSMTSA-N 0 0 318.461 3.306 20 10 DGCDRN c1csc(SCCCNc2ccnc3cccnc32)n1 ZINC000814849298 627597782 /nfs/dbraw/zinc/59/77/82/627597782.db2.gz PIHQDCUJDDAKMK-UHFFFAOYSA-N 0 0 302.428 3.103 20 10 DGCDRN COC(=O)[C@H](NCc1ccc(N(C)C)c(C)c1)c1ccccc1 ZINC000815069492 627622126 /nfs/dbraw/zinc/62/21/26/627622126.db2.gz UXPDMIGYJXAJMS-GOSISDBHSA-N 0 0 312.413 3.065 20 10 DGCDRN C[C@H](NCc1ccc(N2CCSCC2)cc1)c1ncco1 ZINC000924705370 627670709 /nfs/dbraw/zinc/67/07/09/627670709.db2.gz BAVKHKXZGAJFNU-ZDUSSCGKSA-N 0 0 303.431 3.079 20 10 DGCDRN C[C@@H]([NH2+]CC(C)(C)N(C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000815553037 627684346 /nfs/dbraw/zinc/68/43/46/627684346.db2.gz QIZCDOBHPWRCQJ-SNVBAGLBSA-N 0 0 304.356 3.402 20 10 DGCDRN C[C@H]([NH2+]CC1(O)CCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815579572 627687141 /nfs/dbraw/zinc/68/71/41/627687141.db2.gz QFLJSKWGPXWMLW-JTQLQIEISA-N 0 0 303.324 3.367 20 10 DGCDRN C[C@H]([NH2+]C1COC(C)(C)OC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815616764 627691223 /nfs/dbraw/zinc/69/12/23/627691223.db2.gz XNILIYRSQQSMEW-VIFPVBQESA-N 0 0 319.323 3.213 20 10 DGCDRN C[C@@H]([NH2+][C@@H](CO)CC(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000815620210 627691547 /nfs/dbraw/zinc/69/15/47/627691547.db2.gz KKVCTNYBXVFGKK-HTQZYQBOSA-N 0 0 313.266 3.078 20 10 DGCDRN CO[C@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])C1CC1 ZINC000815651677 627694499 /nfs/dbraw/zinc/69/44/99/627694499.db2.gz ZUHLJBFQFUPDGC-NOZJJQNGSA-N 0 0 303.324 3.487 20 10 DGCDRN Cc1nonc1[C@H](C)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000925008223 627700048 /nfs/dbraw/zinc/70/00/48/627700048.db2.gz XKTWJFHZUSDKQZ-AWEZNQCLSA-N 0 0 314.433 3.465 20 10 DGCDRN Cc1nonc1[C@@H](C)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000925008224 627700134 /nfs/dbraw/zinc/70/01/34/627700134.db2.gz XKTWJFHZUSDKQZ-CQSZACIVSA-N 0 0 314.433 3.465 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H](c1ccccn1)C1CC1)c1ccccc1O ZINC000925570506 627756114 /nfs/dbraw/zinc/75/61/14/627756114.db2.gz JSQPJCPACWXGCT-SJKOYZFVSA-N 0 0 311.385 3.299 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000816513642 627799435 /nfs/dbraw/zinc/79/94/35/627799435.db2.gz XHPQMDZGSGBFAI-INIZCTEOSA-N 0 0 321.779 3.276 20 10 DGCDRN CC[NH+](CC)C[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816515759 627799988 /nfs/dbraw/zinc/79/99/88/627799988.db2.gz KDXXIXIIEUZFCD-LBPRGKRZSA-N 0 0 314.832 3.348 20 10 DGCDRN Oc1c(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)ccc2ccccc21 ZINC000816520604 627801367 /nfs/dbraw/zinc/80/13/67/627801367.db2.gz SVYIMJYLBLEAMR-IRXDYDNUSA-N 0 0 315.438 3.252 20 10 DGCDRN CC(C)N(CC[NH2+]Cc1cc(Cl)c(F)cc1[O-])C(C)C ZINC000816528686 627802107 /nfs/dbraw/zinc/80/21/07/627802107.db2.gz NKXCMZXPWCXCCP-UHFFFAOYSA-N 0 0 302.821 3.393 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCn1cnc2ccccc21 ZINC000816541832 627804051 /nfs/dbraw/zinc/80/40/51/627804051.db2.gz VWUNTEYTNMMGNN-UHFFFAOYSA-N 0 0 319.767 3.324 20 10 DGCDRN CCN1CCCC[C@H]1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816550552 627805609 /nfs/dbraw/zinc/80/56/09/627805609.db2.gz USXNOWCLFBOXAF-LBPRGKRZSA-N 0 0 300.805 3.149 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H](CO)c1cccc(F)c1 ZINC000816550312 627806006 /nfs/dbraw/zinc/80/60/06/627806006.db2.gz NVQUHSWSMPIMQA-CQSZACIVSA-N 0 0 313.731 3.147 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000816559186 627807666 /nfs/dbraw/zinc/80/76/66/627807666.db2.gz AWILNVYBFFYTPJ-VQISRLSMSA-N 0 0 311.784 3.232 20 10 DGCDRN CCC(CC)(C[NH2+]Cc1cc(Cl)c(F)cc1[O-])C(=O)OC ZINC000816565547 627808189 /nfs/dbraw/zinc/80/81/89/627808189.db2.gz SPWCIAYNTJMNSG-UHFFFAOYSA-N 0 0 317.788 3.254 20 10 DGCDRN O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816562733 627808548 /nfs/dbraw/zinc/80/85/48/627808548.db2.gz WZSLXHKKBBQGRO-UHFFFAOYSA-N 0 0 310.712 3.383 20 10 DGCDRN COC[C@H]1CCCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816571073 627809917 /nfs/dbraw/zinc/80/99/17/627809917.db2.gz RHUWHJJJOSAXBK-NSHDSACASA-N 0 0 301.789 3.433 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1cnc2n1CCCC2 ZINC000816603867 627813779 /nfs/dbraw/zinc/81/37/79/627813779.db2.gz RMVHKDOKWPQULR-UHFFFAOYSA-N 0 0 309.772 3.007 20 10 DGCDRN C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816609528 627814362 /nfs/dbraw/zinc/81/43/62/627814362.db2.gz FDWHDAQCYHNREI-XHDPSFHLSA-N 0 0 312.816 3.243 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H](CO)C1CCCCC1 ZINC000816649749 627819745 /nfs/dbraw/zinc/81/97/45/627819745.db2.gz JJQWAQKHLPSBMM-CYBMUJFWSA-N 0 0 315.816 3.463 20 10 DGCDRN CC(C)[C@@H]1C[N@H+](Cc2cc(Cl)c(F)cc2[O-])CCCO1 ZINC000816676280 627823496 /nfs/dbraw/zinc/82/34/96/627823496.db2.gz WWAQJFXMYMIRLS-HNNXBMFYSA-N 0 0 301.789 3.432 20 10 DGCDRN COc1cc(NC(=O)c2ccc(C)c(O)c2O)cc2cccnc21 ZINC000816830405 627833042 /nfs/dbraw/zinc/83/30/42/627833042.db2.gz FWYDYDGXBDUYCA-UHFFFAOYSA-N 0 0 324.336 3.215 20 10 DGCDRN CCn1ncnc1CN1C[C@@H](C(C)C)Cc2cc(OC)ccc21 ZINC000817299169 627879614 /nfs/dbraw/zinc/87/96/14/627879614.db2.gz WEIRUBIMPSBSBC-HNNXBMFYSA-N 0 0 314.433 3.142 20 10 DGCDRN CC1(C)CCc2sc(NC(=O)NCc3ccccc3O)nc21 ZINC000817321240 627882100 /nfs/dbraw/zinc/88/21/00/627882100.db2.gz SPRIRUFVQFUBQA-UHFFFAOYSA-N 0 0 317.414 3.394 20 10 DGCDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[C@H]1CC12CC2 ZINC000817427217 627899300 /nfs/dbraw/zinc/89/93/00/627899300.db2.gz PWHLISQLTHQRBZ-MRXNPFEDSA-N 0 0 317.344 3.201 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1nn(C)c(C)c1Cl ZINC000817546095 627918014 /nfs/dbraw/zinc/91/80/14/627918014.db2.gz CTTZUADCEZPIRX-UHFFFAOYSA-N 0 0 321.808 3.140 20 10 DGCDRN CSC[C@@H](O)COc1ccc(N2CCCCC2)c(Cl)c1 ZINC000817571524 627922418 /nfs/dbraw/zinc/92/24/18/627922418.db2.gz QVOWKDPJWWFHFS-LBPRGKRZSA-N 0 0 315.866 3.433 20 10 DGCDRN CON1CCC([NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])CC1 ZINC000817588377 627927287 /nfs/dbraw/zinc/92/72/87/627927287.db2.gz ONEHEJNRNILIEM-SECBINFHSA-N 0 0 319.232 3.375 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)CCc3ccncn3)cc12 ZINC000817761021 627946806 /nfs/dbraw/zinc/94/68/06/627946806.db2.gz JXGXOVXTZOPFNP-UHFFFAOYSA-N 0 0 309.369 3.123 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)c3cnn(C)c3Cl)cc12 ZINC000817761539 627947099 /nfs/dbraw/zinc/94/70/99/627947099.db2.gz MIYBGNOXMKBOPP-UHFFFAOYSA-N 0 0 317.776 3.401 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)c3cc4n(n3)CCC4)cc12 ZINC000817762093 627947377 /nfs/dbraw/zinc/94/73/77/627947377.db2.gz PHAWWEJYWGWDRQ-UHFFFAOYSA-N 0 0 309.369 3.157 20 10 DGCDRN CCN(CC)c1ccc(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1F ZINC000817881543 627952758 /nfs/dbraw/zinc/95/27/58/627952758.db2.gz KQZGRSQFTRLTCL-DZGCQCFKSA-N 0 0 322.424 3.215 20 10 DGCDRN CC[C@@H]1CCCN1C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817923753 627963326 /nfs/dbraw/zinc/96/33/26/627963326.db2.gz MVGXCIKIEIAMOX-CQSZACIVSA-N 0 0 315.442 3.331 20 10 DGCDRN C[C@@H]1CCC[C@H]1NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817935802 627966206 /nfs/dbraw/zinc/96/62/06/627966206.db2.gz DWAYUDXANUSIMU-BXUZGUMPSA-N 0 0 315.442 3.235 20 10 DGCDRN CC[C@@H]([NH2+]CCCNCc1cccnc1)c1ccc(F)cc1[O-] ZINC000817942034 627969044 /nfs/dbraw/zinc/96/90/44/627969044.db2.gz XBNRZFGILVDEAG-QGZVFWFLSA-N 0 0 317.408 3.147 20 10 DGCDRN CC[C@H]([NH2+]CCNC1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817952125 627972748 /nfs/dbraw/zinc/97/27/48/627972748.db2.gz CCLRGEZCEGBZIG-ZDUSSCGKSA-N 0 0 303.233 3.492 20 10 DGCDRN C[C@@H]1C[C@H](C)N(C(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000817950214 627972759 /nfs/dbraw/zinc/97/27/59/627972759.db2.gz WMUUANKRCBFGQX-NEPJUHHUSA-N 0 0 315.442 3.187 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000926951615 627988496 /nfs/dbraw/zinc/98/84/96/627988496.db2.gz SFAVUWVBEHOSOT-VHSKPIJISA-N 0 0 304.268 3.149 20 10 DGCDRN CCCCCNC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818048866 627990150 /nfs/dbraw/zinc/99/01/50/627990150.db2.gz SGGMPVVNZTUIRX-OAHLLOKOSA-N 0 0 319.449 3.011 20 10 DGCDRN C[C@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1ccc(Cl)cc1[O-] ZINC000927056907 628004311 /nfs/dbraw/zinc/00/43/11/628004311.db2.gz NXIWQKQUDSOWMP-LHAJWOIZSA-N 0 0 311.809 3.379 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1CS[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000840354999 628006355 /nfs/dbraw/zinc/00/63/55/628006355.db2.gz VGAZPIYZHLYQEY-DYEKYZERSA-N 0 0 307.463 3.007 20 10 DGCDRN C[C@@H](NC(=O)N[C@H]1CS[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000840355001 628006377 /nfs/dbraw/zinc/00/63/77/628006377.db2.gz VGAZPIYZHLYQEY-YRGRVCCFSA-N 0 0 307.463 3.007 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1CS[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000840355000 628006657 /nfs/dbraw/zinc/00/66/57/628006657.db2.gz VGAZPIYZHLYQEY-MBNYWOFBSA-N 0 0 307.463 3.007 20 10 DGCDRN OCCOCc1ccc(NCc2c(O)cccc2Cl)cc1 ZINC000818233415 628007577 /nfs/dbraw/zinc/00/75/77/628007577.db2.gz MBXNUKDEHANVAU-UHFFFAOYSA-N 0 0 307.777 3.167 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1F)c1ccc(N(C)C)cc1 ZINC000840355203 628007612 /nfs/dbraw/zinc/00/76/12/628007612.db2.gz YJSYARNLRZXPHB-APHBMKBZSA-N 0 0 307.413 3.394 20 10 DGCDRN COC(=O)c1cnc([C@H](C)NCc2cc(C)c(C)cc2O)s1 ZINC000818231507 628007651 /nfs/dbraw/zinc/00/76/51/628007651.db2.gz LKMGULMARNBNEG-NSHDSACASA-N 0 0 320.414 3.103 20 10 DGCDRN CC[C@H]([NH2+]Cc1nn(CC)nc1C)c1cccc(Cl)c1[O-] ZINC000818347192 628017016 /nfs/dbraw/zinc/01/70/16/628017016.db2.gz YBOQQXLAGJNSEO-ZDUSSCGKSA-N 0 0 308.813 3.206 20 10 DGCDRN COC(=O)c1cnc([C@@H](C)N[C@@H](C)c2cc(F)ccc2O)s1 ZINC000818355513 628017998 /nfs/dbraw/zinc/01/79/98/628017998.db2.gz HAPRGKHNKXLEII-DTWKUNHWSA-N 0 0 324.377 3.186 20 10 DGCDRN COC(=O)c1cnc([C@H](C)N[C@@H](C)c2ccccc2O)s1 ZINC000818358307 628018337 /nfs/dbraw/zinc/01/83/37/628018337.db2.gz UDBUAKNICLKOEJ-UWVGGRQHSA-N 0 0 306.387 3.047 20 10 DGCDRN CC[C@@H](Nc1ccc(COCCO)cc1)c1ccccc1O ZINC000818362541 628019270 /nfs/dbraw/zinc/01/92/70/628019270.db2.gz WOYXSAIZMPXFQZ-QGZVFWFLSA-N 0 0 301.386 3.464 20 10 DGCDRN C[C@@H]([NH2+]CC[C@H]1CCC2(CCC2)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927127315 628022506 /nfs/dbraw/zinc/02/25/06/628022506.db2.gz GOFPJUAWPYSXTH-TZMCWYRMSA-N 0 0 320.389 3.443 20 10 DGCDRN C[C@@H]([NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000927157670 628028741 /nfs/dbraw/zinc/02/87/41/628028741.db2.gz QPYJBEJEIMCSMQ-NRXGSXMXSA-N 0 0 315.388 3.275 20 10 DGCDRN Nc1ccc(CCNC(=O)c2scnc2C2CCCC2)cc1 ZINC000818544628 628033519 /nfs/dbraw/zinc/03/35/19/628033519.db2.gz DOTGGMDQZAQHTJ-UHFFFAOYSA-N 0 0 315.442 3.355 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])cc1 ZINC000818631645 628045244 /nfs/dbraw/zinc/04/52/44/628045244.db2.gz MBZGLEMQJZAWCP-WMLDXEAASA-N 0 0 304.434 3.218 20 10 DGCDRN CCC(CC)(C[NH2+]C/C=C\c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000818629991 628045380 /nfs/dbraw/zinc/04/53/80/628045380.db2.gz OZAYJEGIKREKPL-FPLPWBNLSA-N 0 0 304.434 3.246 20 10 DGCDRN CCN(C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)[C@@H](C)CO ZINC000818635076 628046220 /nfs/dbraw/zinc/04/62/20/628046220.db2.gz XJVAYQFDEOSUJG-ZDUSSCGKSA-N 0 0 318.392 3.076 20 10 DGCDRN C[C@@H](NC(=O)N[C@H]1CCCc2cccnc21)c1ccccc1O ZINC000927397435 628060099 /nfs/dbraw/zinc/06/00/99/628060099.db2.gz RORCHXWGMXAIDT-DOMZBBRYSA-N 0 0 311.385 3.225 20 10 DGCDRN COc1ccc(N2CCN(C(=O)[C@H]3CCCC[C@H]3C)CC2)cc1 ZINC000819003192 628076372 /nfs/dbraw/zinc/07/63/72/628076372.db2.gz AOXODRTXTLSBSZ-QAPCUYQASA-N 0 0 316.445 3.170 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)/C=C/[C@@H]1CCCO1 ZINC000819137674 628098609 /nfs/dbraw/zinc/09/86/09/628098609.db2.gz HBLCKNUEXMBJQQ-DXRVJIQQSA-N 0 0 316.445 3.225 20 10 DGCDRN Cc1ccc([C@@H](C)N2C(=O)CN(Cc3ccccc3O)C2=O)cc1 ZINC000819165956 628103713 /nfs/dbraw/zinc/10/37/13/628103713.db2.gz IOUKUXBBEDFUTN-CQSZACIVSA-N 0 0 324.380 3.226 20 10 DGCDRN C[C@H]1CCC[C@H](N2C(=O)CN(Cc3ccccc3O)C2=O)CC1 ZINC000819169260 628104393 /nfs/dbraw/zinc/10/43/93/628104393.db2.gz YWKBTJDGOMKFSU-ZFWWWQNUSA-N 0 0 316.401 3.125 20 10 DGCDRN CC1(C)CCCC[C@H]1N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819168620 628104662 /nfs/dbraw/zinc/10/46/62/628104662.db2.gz SFSKMDADBDTLIQ-OAHLLOKOSA-N 0 0 316.401 3.125 20 10 DGCDRN CCC[C@@H](N1C(=O)CN(Cc2ccccc2O)C1=O)C(C)(C)C ZINC000819168775 628104683 /nfs/dbraw/zinc/10/46/83/628104683.db2.gz CPBMZWFRBKTXPE-OAHLLOKOSA-N 0 0 318.417 3.371 20 10 DGCDRN CC1(CN2C(=O)CN(Cc3ccccc3O)C2=O)CCCCC1 ZINC000819171542 628105219 /nfs/dbraw/zinc/10/52/19/628105219.db2.gz ZEXMDJBQKOUJCR-UHFFFAOYSA-N 0 0 316.401 3.127 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC[C@@H](C)F ZINC000840378224 628123016 /nfs/dbraw/zinc/12/30/16/628123016.db2.gz DAYRZNUUVGZJQM-ZIAGYGMSSA-N 0 0 309.429 3.039 20 10 DGCDRN COc1ccccc1NC[C@H](O)COc1ccc(SC)cc1 ZINC000819394195 628146756 /nfs/dbraw/zinc/14/67/56/628146756.db2.gz SJHBUEJFUCNVPM-ZDUSSCGKSA-N 0 0 319.426 3.269 20 10 DGCDRN COC[C@@H](O)CNc1cc2oc3ccccc3c2cc1OC ZINC000819399766 628148271 /nfs/dbraw/zinc/14/82/71/628148271.db2.gz XEAFGFFTXHKJOA-NSHDSACASA-N 0 0 301.342 3.014 20 10 DGCDRN COC(C)(C)[C@@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000928595003 628165948 /nfs/dbraw/zinc/16/59/48/628165948.db2.gz NRFJAVXCPADJTI-CQSZACIVSA-N 0 0 315.417 3.032 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)c1nccn1C ZINC000819518903 628166431 /nfs/dbraw/zinc/16/64/31/628166431.db2.gz KFOQEKMPIYUACJ-UHFFFAOYSA-N 0 0 314.414 3.166 20 10 DGCDRN CCC[C@@H](C)CC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819583584 628171341 /nfs/dbraw/zinc/17/13/41/628171341.db2.gz XQYVTVAGKDUWNA-HZPDHXFCSA-N 0 0 318.461 3.464 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@@H](C)C3CCC3)C2)cc1 ZINC000819586531 628171528 /nfs/dbraw/zinc/17/15/28/628171528.db2.gz ANANYYVWARXLAX-LSDHHAIUSA-N 0 0 316.445 3.074 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNC(=O)C3CC(C)(C)C3)C2)cc1 ZINC000819590599 628171995 /nfs/dbraw/zinc/17/19/95/628171995.db2.gz LGSRRKJYRKJPGB-AWEZNQCLSA-N 0 0 316.445 3.074 20 10 DGCDRN O=C(NCc1c(O)cccc1F)C1CC(c2ccc(F)cc2)C1 ZINC000928706838 628179291 /nfs/dbraw/zinc/17/92/91/628179291.db2.gz WIGLFIRSVFYCKL-UHFFFAOYSA-N 0 0 317.335 3.480 20 10 DGCDRN C[C@@]1(CC(=O)NCc2c(O)cccc2F)CC1(Cl)Cl ZINC000928705018 628179335 /nfs/dbraw/zinc/17/93/35/628179335.db2.gz CBJIIVWLYORBIA-GFCCVEGCSA-N 0 0 306.164 3.122 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@H]1C[C@@]12CCc1ccccc12 ZINC000928706749 628179354 /nfs/dbraw/zinc/17/93/54/628179354.db2.gz ZBZVPHFTSVSHQF-DNVCBOLYSA-N 0 0 311.356 3.052 20 10 DGCDRN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCc1c(O)cccc1F ZINC000928705507 628179432 /nfs/dbraw/zinc/17/94/32/628179432.db2.gz KQJOMGIFSSEKLB-MNOVXSKESA-N 0 0 305.374 3.321 20 10 DGCDRN O=C(CCC[C@H](O)c1ccccc1)NCc1c(O)cccc1F ZINC000928706979 628179461 /nfs/dbraw/zinc/17/94/61/628179461.db2.gz ZEMGKRJKJCPRHU-INIZCTEOSA-N 0 0 317.360 3.051 20 10 DGCDRN CCCc1nc(C)c(C(=O)NCc2c(O)cccc2F)s1 ZINC000928710306 628180062 /nfs/dbraw/zinc/18/00/62/628180062.db2.gz ATBJYMDKNPQEFF-UHFFFAOYSA-N 0 0 308.378 3.179 20 10 DGCDRN O=C(CCCOCc1ccccc1)NCc1c(O)cccc1F ZINC000928712321 628180845 /nfs/dbraw/zinc/18/08/45/628180845.db2.gz REAIWLYYCQOLHH-UHFFFAOYSA-N 0 0 317.360 3.145 20 10 DGCDRN C[C@H]1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C[C@H](C)C1 ZINC000820189237 628232636 /nfs/dbraw/zinc/23/26/36/628232636.db2.gz XPFKQGCPFLJKNK-GHMZBOCLSA-N 0 0 302.378 3.404 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1ocnc1C ZINC000820233986 628238420 /nfs/dbraw/zinc/23/84/20/628238420.db2.gz FPZXJWUCHQQLKZ-UHFFFAOYSA-N 0 0 315.398 3.382 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC2(C(F)(F)F)CCC2)cc1 ZINC000820379646 628251642 /nfs/dbraw/zinc/25/16/42/628251642.db2.gz TWYHQHNZMVVDCJ-UHFFFAOYSA-N 0 0 314.267 3.064 20 10 DGCDRN CCN(CC(C)=O)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000820437299 628258372 /nfs/dbraw/zinc/25/83/72/628258372.db2.gz WNDCGMICCVSMMY-UHFFFAOYSA-N 0 0 316.376 3.284 20 10 DGCDRN CC(C)C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000820464242 628262806 /nfs/dbraw/zinc/26/28/06/628262806.db2.gz XDMZMKAWXGBWSN-LBPRGKRZSA-N 0 0 302.378 3.357 20 10 DGCDRN Cc1cnc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)o1 ZINC000820633213 628280171 /nfs/dbraw/zinc/28/01/71/628280171.db2.gz AREVZXCZMDCZBD-CHWSQXEVSA-N 0 0 319.380 3.348 20 10 DGCDRN CC(C)CC1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000820763005 628295901 /nfs/dbraw/zinc/29/59/01/628295901.db2.gz CNKMPJVRZQNAEI-UHFFFAOYSA-N 0 0 302.378 3.405 20 10 DGCDRN CCCCCCO[C@H](C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000840415755 628343504 /nfs/dbraw/zinc/34/35/04/628343504.db2.gz HVJXUUWVQUVINZ-ZIAGYGMSSA-N 0 0 323.433 3.130 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CS[C@H](C)C1 ZINC000840416758 628343634 /nfs/dbraw/zinc/34/36/34/628343634.db2.gz MSSSTGBABKMUAF-HIFRSBDPSA-N 0 0 321.490 3.178 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CCCC[C@H]1F ZINC000840440730 628350360 /nfs/dbraw/zinc/35/03/60/628350360.db2.gz GQCIMADMJQWGNK-HZPDHXFCSA-N 0 0 320.408 3.351 20 10 DGCDRN C[C@H](CC(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCO1 ZINC000821844124 628402859 /nfs/dbraw/zinc/40/28/59/628402859.db2.gz YRVFEKRCVWBRNW-QAPCUYQASA-N 0 0 316.445 3.108 20 10 DGCDRN CN(C[C@H]1CC=CCC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000821856912 628404354 /nfs/dbraw/zinc/40/43/54/628404354.db2.gz NZEOTNZEEPZBRF-LBPRGKRZSA-N 0 0 300.362 3.277 20 10 DGCDRN CC[C@@H]1CCC[C@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000822197211 628428972 /nfs/dbraw/zinc/42/89/72/628428972.db2.gz QGFVVDXERRSVIY-CRAIPNDOSA-N 0 0 316.445 3.170 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)/C=C\[C@@H]1CCOC1 ZINC000822653010 628475685 /nfs/dbraw/zinc/47/56/85/628475685.db2.gz WPFMLFJJDBRBTH-CGQZWFTASA-N 0 0 316.445 3.082 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCCC(F)(F)C2)cc1 ZINC000822702984 628482282 /nfs/dbraw/zinc/48/22/82/628482282.db2.gz GYCYAQNDRVNDRG-JTQLQIEISA-N 0 0 324.331 3.404 20 10 DGCDRN Cc1ncccc1/C=C\C(=O)NCc1ccc2c(c1)CCCN2C ZINC000822868071 628504172 /nfs/dbraw/zinc/50/41/72/628504172.db2.gz SFEWOYQLNNMULE-NTMALXAHSA-N 0 0 321.424 3.102 20 10 DGCDRN Cc1csc(C(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000822867533 628504352 /nfs/dbraw/zinc/50/43/52/628504352.db2.gz AVTUWEJVIDINLF-UHFFFAOYSA-N 0 0 300.427 3.369 20 10 DGCDRN Cc1oc(C(C)(C)C)cc1C(=O)NCc1ccc(O)cc1O ZINC000822971716 628514656 /nfs/dbraw/zinc/51/46/56/628514656.db2.gz IHMAIXPNUQVRPX-UHFFFAOYSA-N 0 0 303.358 3.227 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC23CC3)cc1F ZINC000823007592 628518635 /nfs/dbraw/zinc/51/86/35/628518635.db2.gz ZQOQVTVPCHGKPM-OAHLLOKOSA-N 0 0 305.397 3.024 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CC23CC3)cc1F ZINC000823007590 628518729 /nfs/dbraw/zinc/51/87/29/628518729.db2.gz ZQOQVTVPCHGKPM-HNNXBMFYSA-N 0 0 305.397 3.024 20 10 DGCDRN CC(C)(C)C1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000823175087 628533662 /nfs/dbraw/zinc/53/36/62/628533662.db2.gz ZBSFJWJBWGWGTA-UHFFFAOYSA-N 0 0 302.378 3.404 20 10 DGCDRN O=C(C[C@@H]1CCCC1(F)F)NCc1ccc2cccnc2c1O ZINC000823180825 628534116 /nfs/dbraw/zinc/53/41/16/628534116.db2.gz FNTISOADNMUEMS-ZDUSSCGKSA-N 0 0 320.339 3.382 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000823180788 628534317 /nfs/dbraw/zinc/53/43/17/628534317.db2.gz DMUULTKRPSIKAB-CWRNSKLLSA-N 0 0 310.397 3.383 20 10 DGCDRN C[C@@]12CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000823306932 628548044 /nfs/dbraw/zinc/54/80/44/628548044.db2.gz BAPSQBRYEDPUOA-SDCOAXJVSA-N 0 0 324.384 3.133 20 10 DGCDRN CC(C)(CNC(=O)c1ccc(N=NC(N)=O)cc1)C1CCC1 ZINC000823352288 628551248 /nfs/dbraw/zinc/55/12/48/628551248.db2.gz QZSRUGSQLRVCCX-UHFFFAOYSA-N 0 0 302.378 3.405 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCCC2(F)F)cc1 ZINC000823354482 628551752 /nfs/dbraw/zinc/55/17/52/628551752.db2.gz HNLNSKQQQGZDCI-JTQLQIEISA-N 0 0 310.304 3.014 20 10 DGCDRN CCN(CC1CC1)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840478938 628554759 /nfs/dbraw/zinc/55/47/59/628554759.db2.gz KJNJXASIWKKJQK-HNNXBMFYSA-N 0 0 317.477 3.434 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC(C)(C)C1 ZINC000840481178 628581239 /nfs/dbraw/zinc/58/12/39/628581239.db2.gz BYZIVAFNLNPIKT-CQSZACIVSA-N 0 0 303.450 3.043 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H]1c1ccco1 ZINC000840483518 628609606 /nfs/dbraw/zinc/60/96/06/628609606.db2.gz BQRCDIFMHUOKDN-HUUCEWRRSA-N 0 0 314.385 3.463 20 10 DGCDRN Oc1ccccc1CN(Cc1ccco1)Cc1cnc2n1CCC2 ZINC000824474350 628663938 /nfs/dbraw/zinc/66/39/38/628663938.db2.gz NMCRKXLEUKSMHX-UHFFFAOYSA-N 0 0 323.396 3.330 20 10 DGCDRN CCOc1ccc(CNc2cccc([S@](C)=O)c2)c(O)c1 ZINC000824620643 628677957 /nfs/dbraw/zinc/67/79/57/628677957.db2.gz XNUNFQGFBFCFPI-NRFANRHFSA-N 0 0 305.399 3.140 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3ccc(CF)cc3)ccc21 ZINC000824676480 628682779 /nfs/dbraw/zinc/68/27/79/628682779.db2.gz LWCADHPKCGDEGR-UHFFFAOYSA-N 0 0 312.388 3.469 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CCC(F)CC1 ZINC000824689130 628684008 /nfs/dbraw/zinc/68/40/08/628684008.db2.gz ZQCSRHMHASGXGK-XSRFYTQQSA-N 0 0 320.368 3.496 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000824721722 628687520 /nfs/dbraw/zinc/68/75/20/628687520.db2.gz IFSFWLMHAOSDKQ-ZLKJLUDKSA-N 0 0 313.800 3.310 20 10 DGCDRN CC[C@](C)(C[NH2+]Cc1cc(C)cc(Br)c1[O-])OC ZINC000824743810 628688798 /nfs/dbraw/zinc/68/87/98/628688798.db2.gz NQTQADVTETXTGH-CQSZACIVSA-N 0 0 316.239 3.368 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)CC1CC1 ZINC000840490266 628693517 /nfs/dbraw/zinc/69/35/17/628693517.db2.gz YSOQZUAQYUXOME-CQSZACIVSA-N 0 0 303.450 3.043 20 10 DGCDRN C[C@@H](NC(=O)Nc1cc(F)ccn1)c1ccc(N(C)C)cc1 ZINC000824849247 628700227 /nfs/dbraw/zinc/70/02/27/628700227.db2.gz DRGGUFMRIFRHBW-LLVKDONJSA-N 0 0 302.353 3.169 20 10 DGCDRN COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000824853597 628700546 /nfs/dbraw/zinc/70/05/46/628700546.db2.gz HDGZKGSHWZDPMA-SKDRFNHKSA-N 0 0 315.772 3.006 20 10 DGCDRN C[C@]1(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1(Cl)Cl ZINC000824971036 628711918 /nfs/dbraw/zinc/71/19/18/628711918.db2.gz NUOVUPIOWKBDAH-LBPRGKRZSA-N 0 0 319.188 3.364 20 10 DGCDRN CN(C)c1ccc(CN2CCOC[C@H]2c2ccc(F)cc2)cc1 ZINC000825045788 628720699 /nfs/dbraw/zinc/72/06/99/628720699.db2.gz LILRPMCTRYLGLI-IBGZPJMESA-N 0 0 314.404 3.465 20 10 DGCDRN CCOCc1cc(CNCc2coc(CC)n2)ccc1OC ZINC000825050754 628721611 /nfs/dbraw/zinc/72/16/11/628721611.db2.gz RBFBOJYVUQLDHY-UHFFFAOYSA-N 0 0 304.390 3.072 20 10 DGCDRN CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C1CCCC1 ZINC000825123820 628730324 /nfs/dbraw/zinc/73/03/24/628730324.db2.gz CQIURUDEFQGPST-ZDUSSCGKSA-N 0 0 308.378 3.367 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)/C=C(\C)c2cnccn2)cc1 ZINC000825327098 628749790 /nfs/dbraw/zinc/74/97/90/628749790.db2.gz RBUAWHIHEBIOCP-NTCAYCPXSA-N 0 0 324.428 3.043 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCN(C(=O)[O-])C1)c1ccc(N2CCCCC2)cc1 ZINC000825480288 628765674 /nfs/dbraw/zinc/76/56/74/628765674.db2.gz VPJMILZODCFCIV-HOCLYGCPSA-N 0 0 317.433 3.080 20 10 DGCDRN Oc1cc(Br)ccc1CN1CCC[C@@H]1c1ncc[nH]1 ZINC000825513248 628770857 /nfs/dbraw/zinc/77/08/57/628770857.db2.gz FIYOBLLDUKRMQK-GFCCVEGCSA-N 0 0 322.206 3.215 20 10 DGCDRN COc1ccc2c(c1)CCCCN2Cc1cn(C2CCC2)nn1 ZINC000825943962 628812921 /nfs/dbraw/zinc/81/29/21/628812921.db2.gz OCEQNNMZTCRGRG-UHFFFAOYSA-N 0 0 312.417 3.355 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)/C=C/C1(C)CCOCC1 ZINC000825981386 628817553 /nfs/dbraw/zinc/81/75/53/628817553.db2.gz UDNHRZCOEDCEOK-BQYQJAHWSA-N 0 0 316.445 3.050 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N[C@@H]3CC[C@@H]4C[C@@H]4C3)ccc21 ZINC000826019518 628820226 /nfs/dbraw/zinc/82/02/26/628820226.db2.gz HNOZNRQWDSHBKF-DJIMGWMZSA-N 0 0 313.445 3.057 20 10 DGCDRN CO[C@H]1CC[N@H+](Cc2ccc(Br)cc2O)C[C@H]1C ZINC000826062205 628824299 /nfs/dbraw/zinc/82/42/99/628824299.db2.gz NBSVXSYEXWBLAF-YGRLFVJLSA-N 0 0 314.223 3.012 20 10 DGCDRN Cc1ncccc1/C=C/C(=O)N1CCCN(C)c2ccccc21 ZINC000826101410 628828753 /nfs/dbraw/zinc/82/87/53/628828753.db2.gz SKDWZDBRCFNUHN-ZHACJKMWSA-N 0 0 307.397 3.276 20 10 DGCDRN CCN(CCSC)C(=O)NCCCSc1nccs1 ZINC000826693574 628874356 /nfs/dbraw/zinc/87/43/56/628874356.db2.gz WTRNYQOMAXVRHR-UHFFFAOYSA-N 0 0 319.521 3.020 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000827151759 628929059 /nfs/dbraw/zinc/92/90/59/628929059.db2.gz JFWBTXQSQFTXOI-HNNXBMFYSA-N 0 0 316.228 3.436 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1C[C@@H]2CCCN2c2ccccc21 ZINC000827158053 628930035 /nfs/dbraw/zinc/93/00/35/628930035.db2.gz MSUOVNXNCPGZNL-NSHDSACASA-N 0 0 300.383 3.083 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000827316430 628948714 /nfs/dbraw/zinc/94/87/14/628948714.db2.gz AWXPPPKCIXAOFU-CVEARBPZSA-N 0 0 311.381 3.298 20 10 DGCDRN Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2cccc(Cl)c2[O-])cn1 ZINC000827322057 628948850 /nfs/dbraw/zinc/94/88/50/628948850.db2.gz STIHDXIJTCFBJL-CZUORRHYSA-N 0 0 319.836 3.280 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1CCO[C@H](CC(F)(F)F)C1 ZINC000827785951 628991197 /nfs/dbraw/zinc/99/11/97/628991197.db2.gz FBJSXKUTXZDQFV-OAHLLOKOSA-N 0 0 316.367 3.214 20 10 DGCDRN C[C@H](O)[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccccc1 ZINC000827855458 628997634 /nfs/dbraw/zinc/99/76/34/628997634.db2.gz DIMBBWYAQSXKTH-MGPLVRAMSA-N 0 0 309.768 3.396 20 10 DGCDRN Cc1c(C(=O)N[C@H](C)c2ccccc2O)cnn1C(C)(C)C ZINC000827930422 629004985 /nfs/dbraw/zinc/00/49/85/629004985.db2.gz JXMMEPWVUFEELU-LLVKDONJSA-N 0 0 301.390 3.143 20 10 DGCDRN C[C@H](CC(=O)N[C@H](C)c1ccccc1O)C(=O)c1ccccc1 ZINC000827937370 629005311 /nfs/dbraw/zinc/00/53/11/629005311.db2.gz UEVRVCNXFSQDCZ-ZIAGYGMSSA-N 0 0 311.381 3.479 20 10 DGCDRN Cc1cc2c(cc1C)[C@@H](C(=O)N[C@H](C)c1ccccc1O)CO2 ZINC000827940612 629005959 /nfs/dbraw/zinc/00/59/59/629005959.db2.gz GKCIWVMJMMZTRF-CJNGLKHVSA-N 0 0 311.381 3.362 20 10 DGCDRN COc1cccc(C2(C(=O)N[C@H](C)c3ccccc3O)CC2)c1 ZINC000827946849 629006659 /nfs/dbraw/zinc/00/66/59/629006659.db2.gz SYNIDDNFLSNDGI-CYBMUJFWSA-N 0 0 311.381 3.310 20 10 DGCDRN C[C@@H](NC(=O)CCC[C@H](O)c1ccccc1)c1ccccc1O ZINC000827952160 629007357 /nfs/dbraw/zinc/00/73/57/629007357.db2.gz HYGLDDJMBZBXPX-PBHICJAKSA-N 0 0 313.397 3.473 20 10 DGCDRN C[C@H](NC(=O)c1cccc2c1OCCCO2)c1ccccc1O ZINC000827960834 629008352 /nfs/dbraw/zinc/00/83/52/629008352.db2.gz XRQLVFJYAUALOO-LBPRGKRZSA-N 0 0 313.353 3.045 20 10 DGCDRN CCOc1ccc(CN2C[C@H](C)O[C@@](C)(C(F)F)C2)c(O)c1 ZINC000827962069 629008887 /nfs/dbraw/zinc/00/88/87/629008887.db2.gz FKKHQPLMAKTEEG-MEDUHNTESA-N 0 0 315.360 3.035 20 10 DGCDRN CCOCc1nc(C)c(C(=O)N[C@@H](C)c2ccccc2O)s1 ZINC000827964588 629009251 /nfs/dbraw/zinc/00/92/51/629009251.db2.gz RKYCZCDHWBLGIL-JTQLQIEISA-N 0 0 320.414 3.185 20 10 DGCDRN CCC(CC)n1nccc1C(=O)N[C@@H](C)c1ccccc1O ZINC000827972979 629009953 /nfs/dbraw/zinc/00/99/53/629009953.db2.gz FCCTZZVXMTYXRT-LBPRGKRZSA-N 0 0 301.390 3.441 20 10 DGCDRN Cc1nc(CC(C)C)oc1C(=O)N[C@@H](C)c1ccccc1O ZINC000827970106 629009989 /nfs/dbraw/zinc/00/99/89/629009989.db2.gz WFUDMHUFPAABHX-NSHDSACASA-N 0 0 302.374 3.378 20 10 DGCDRN Cc1c(C(=O)N[C@@H](C)c2ccccc2O)[nH]c2c1C(=O)CCC2 ZINC000827981917 629011027 /nfs/dbraw/zinc/01/10/27/629011027.db2.gz HLJCHBIEGYNFTE-NSHDSACASA-N 0 0 312.369 3.039 20 10 DGCDRN CCOc1ccc(OCC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000827987021 629011887 /nfs/dbraw/zinc/01/18/87/629011887.db2.gz WYMJWDWHSIMHSD-ZDUSSCGKSA-N 0 0 315.369 3.047 20 10 DGCDRN COc1ccc(N(C)C[C@@H](O)[C@H](C)c2ccccc2)c(OC)c1 ZINC000828474179 629058177 /nfs/dbraw/zinc/05/81/77/629058177.db2.gz CQYXTHLVJSYKCE-RDTXWAMCSA-N 0 0 315.413 3.305 20 10 DGCDRN CC(C)c1ccc(C(=O)N[C@H](C)c2ccccc2O)c(=O)[nH]1 ZINC000828538956 629064351 /nfs/dbraw/zinc/06/43/51/629064351.db2.gz GBMOKSQVXSLUGS-LLVKDONJSA-N 0 0 300.358 3.107 20 10 DGCDRN C[C@@H](NC(=O)[C@@]1(c2ccccc2)CCCO1)c1ccccc1O ZINC000828539915 629064910 /nfs/dbraw/zinc/06/49/10/629064910.db2.gz WGFCYMFSIIEQKG-KUHUBIRLSA-N 0 0 311.381 3.275 20 10 DGCDRN Cc1cc(C[N@@H+](C)[C@H](C)C[S@@](C)=O)ccc1N1CCCCC1 ZINC000828785150 629092117 /nfs/dbraw/zinc/09/21/17/629092117.db2.gz CLMKNTQHTFUVHB-OPAMFIHVSA-N 0 0 322.518 3.184 20 10 DGCDRN Cc1cc(Cn2cnc([N+](=O)[O-])c2)ccc1N1CCCCC1 ZINC000828992280 629117786 /nfs/dbraw/zinc/11/77/86/629117786.db2.gz SEEXQWSMWJHMHF-UHFFFAOYSA-N 0 0 300.362 3.138 20 10 DGCDRN O=C(C[C@@H]1CCCN1C(=O)C1=CC(=O)CS1)c1cccs1 ZINC000829774061 629190025 /nfs/dbraw/zinc/19/00/25/629190025.db2.gz WHYSVISFEYLYGB-JTQLQIEISA-N 0 0 321.423 3.393 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)C1=CC(=O)CS1)CCCC2 ZINC000829999496 629216264 /nfs/dbraw/zinc/21/62/64/629216264.db2.gz HIPFAPCUAANQIP-UHFFFAOYSA-N 0 0 303.383 3.445 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)CCC[C@H](O)c1ccccc1 ZINC000830141749 629229562 /nfs/dbraw/zinc/22/95/62/629229562.db2.gz XQDVDNJDTTYWAH-KRWDZBQOSA-N 0 0 313.397 3.255 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)Cc2ccco2)c1 ZINC000830540687 629282001 /nfs/dbraw/zinc/28/20/01/629282001.db2.gz NGXQJFQISURXCK-NEPJUHHUSA-N 0 0 303.358 3.050 20 10 DGCDRN O=C(CCCc1cccnc1)NCc1c(O)ccc2c1CCCC2 ZINC000830558942 629283907 /nfs/dbraw/zinc/28/39/07/629283907.db2.gz DVLODZPZZXKKBV-UHFFFAOYSA-N 0 0 324.424 3.305 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(F)s1 ZINC000830559142 629284119 /nfs/dbraw/zinc/28/41/19/629284119.db2.gz JTPGONPGKCBTIS-UHFFFAOYSA-N 0 0 305.374 3.402 20 10 DGCDRN CC1(C)CC[C@@H]1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000830899531 629318412 /nfs/dbraw/zinc/31/84/12/629318412.db2.gz GNQPFGYWYXHEAH-JKSUJKDBSA-N 0 0 317.429 3.336 20 10 DGCDRN CCSCc1ccnc(NC(=O)Cc2ccc(N)cc2)c1 ZINC000831475479 629380462 /nfs/dbraw/zinc/38/04/62/629380462.db2.gz LGEPTXFNWZYRTL-UHFFFAOYSA-N 0 0 301.415 3.098 20 10 DGCDRN O=C(C[C@@H]1CC[C@H]2C[C@H]21)NCc1cc(Br)ccc1O ZINC000831932916 629429358 /nfs/dbraw/zinc/42/93/58/629429358.db2.gz MFPKVJUJWDXHSH-OUJBWJOFSA-N 0 0 324.218 3.207 20 10 DGCDRN Nc1ccc(CC(=O)N2CC[C@@H](c3c(F)cccc3F)C2)cc1 ZINC000831998422 629434254 /nfs/dbraw/zinc/43/42/54/629434254.db2.gz KTFGNWKMLSMVRZ-CYBMUJFWSA-N 0 0 316.351 3.106 20 10 DGCDRN CCCN(CCc1cccs1)C(=O)Cc1ccc(N)cc1 ZINC000832063630 629439439 /nfs/dbraw/zinc/43/94/39/629439439.db2.gz JJTRCHXQGOZKTO-UHFFFAOYSA-N 0 0 302.443 3.354 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000832898245 629530278 /nfs/dbraw/zinc/53/02/78/629530278.db2.gz FWVXJLZWPLLYQW-CYBMUJFWSA-N 0 0 323.801 3.401 20 10 DGCDRN Cc1csc([C@@H](NC(=O)C2=CC(=O)CS2)C(F)(F)F)n1 ZINC000833141572 629561082 /nfs/dbraw/zinc/56/10/82/629561082.db2.gz DMWUPOAHTHUGHY-MRVPVSSYSA-N 0 0 322.333 3.252 20 10 DGCDRN CC(C)[N@H+](CCC(=O)[O-])Cc1ccc(N2CCCCC2)cc1 ZINC000833496537 629612524 /nfs/dbraw/zinc/61/25/24/629612524.db2.gz AMWARPFJSRQIIU-UHFFFAOYSA-N 0 0 304.434 3.362 20 10 DGCDRN CCOc1ccc(O)c(C[N@H+](C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000833663244 629637602 /nfs/dbraw/zinc/63/76/02/629637602.db2.gz SUTZCHNNHFDKDU-UHFFFAOYSA-N 0 0 315.369 3.121 20 10 DGCDRN COc1ccc(O)c([C@H](C)[NH2+][C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000833733370 629644529 /nfs/dbraw/zinc/64/45/29/629644529.db2.gz FQISFHJADXDBRT-MGPLVRAMSA-N 0 0 319.332 3.016 20 10 DGCDRN O=C([O-])N[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ccccc21 ZINC000834159713 629674711 /nfs/dbraw/zinc/67/47/11/629674711.db2.gz WAZQLNNIZWLSAM-SJORKVTESA-N 0 0 324.380 3.165 20 10 DGCDRN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cc(Cl)ccc1O ZINC000834162431 629675789 /nfs/dbraw/zinc/67/57/89/629675789.db2.gz WQHBNNNLQBJQTD-AGUYFDCRSA-N 0 0 324.808 3.199 20 10 DGCDRN O=C(NCc1cccc(Br)c1O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000834475814 629715608 /nfs/dbraw/zinc/71/56/08/629715608.db2.gz DZGUQJMTOMLCQP-JLLWLGSASA-N 0 0 324.218 3.207 20 10 DGCDRN COCCOCCCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000101596645 629744163 /nfs/dbraw/zinc/74/41/63/629744163.db2.gz IHPACVDLYJXZII-UHFFFAOYSA-N 0 0 322.232 3.232 20 10 DGCDRN CCN(C)c1ccc([C@H](C)NCc2nn(C)cc2Cl)cc1 ZINC000834881819 629796120 /nfs/dbraw/zinc/79/61/20/629796120.db2.gz BLDRDUOCQZCEMS-LBPRGKRZSA-N 0 0 306.841 3.380 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCO[C@H](c2ccncc2)C1)c1ccc(F)cc1[O-] ZINC000834894729 629800303 /nfs/dbraw/zinc/80/03/03/629800303.db2.gz UHPSUMMCWPZGME-QITLCBANSA-N 0 0 316.376 3.497 20 10 DGCDRN CCC1(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])COC1 ZINC000834901225 629802805 /nfs/dbraw/zinc/80/28/05/629802805.db2.gz YUUOKMAFQOLNOA-SNVBAGLBSA-N 0 0 303.324 3.488 20 10 DGCDRN COCC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCCC1 ZINC000834904703 629804849 /nfs/dbraw/zinc/80/48/49/629804849.db2.gz BKDUHTRVQKUZFI-GFCCVEGCSA-N 0 0 308.378 3.158 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](CC)c1ccc(Cl)c(Cl)c1[O-])C(=O)NC ZINC000834911185 629806521 /nfs/dbraw/zinc/80/65/21/629806521.db2.gz HQLVOJYTMDXUFR-WDEREUQCSA-N 0 0 319.232 3.264 20 10 DGCDRN CC(C)OC(=O)[C@H](C)N(C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835028164 629829296 /nfs/dbraw/zinc/82/92/96/629829296.db2.gz JMMVZBIKRGXCFF-KIUWMYQTSA-N 0 0 304.434 3.038 20 10 DGCDRN C[C@@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C ZINC000835044684 629833894 /nfs/dbraw/zinc/83/38/94/629833894.db2.gz NDUJPBLULYVZJE-WBTMPAOCSA-N 0 0 304.434 3.086 20 10 DGCDRN COCCCn1ccc(NC/C=C\c2ccc(N(C)C)cc2)n1 ZINC000835043937 629833919 /nfs/dbraw/zinc/83/39/19/629833919.db2.gz WOAGRMUYPPNBTJ-XQRVVYSFSA-N 0 0 314.433 3.111 20 10 DGCDRN CC(C)n1cnnc1CN(C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835052629 629837098 /nfs/dbraw/zinc/83/70/98/629837098.db2.gz IAPMJYXYKANMGT-SREVYHEPSA-N 0 0 313.449 3.070 20 10 DGCDRN CC1(C)C[C@@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)CCO1 ZINC000835059581 629840636 /nfs/dbraw/zinc/84/06/36/629840636.db2.gz JFVWOKNMIBICJX-JTQLQIEISA-N 0 0 301.789 3.480 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2C[C@@H](C3CC3)[C@@H]2C2CC2)cc1 ZINC000836237115 630088064 /nfs/dbraw/zinc/08/80/64/630088064.db2.gz WILXXKWPNUWSQE-ROUUACIJSA-N 0 0 313.445 3.083 20 10 DGCDRN O=C(NCC[C@H]1CCc2ccccc21)NCc1ccccc1O ZINC000836528956 630128858 /nfs/dbraw/zinc/12/88/58/630128858.db2.gz TUJOPQITVGLIAW-OAHLLOKOSA-N 0 0 310.397 3.312 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H](C2CC2)C2CCC2)cc1 ZINC000836687463 630151097 /nfs/dbraw/zinc/15/10/97/630151097.db2.gz TXVYEBJARKQUTL-GOSISDBHSA-N 0 0 315.461 3.473 20 10 DGCDRN COc1ccc(N(CC2CC2)C(=O)c2cccc(O)c2O)cc1 ZINC000836840748 630172284 /nfs/dbraw/zinc/17/22/84/630172284.db2.gz QFLMWJKAMLLILG-UHFFFAOYSA-N 0 0 313.353 3.163 20 10 DGCDRN CC(C)[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1C(C)C ZINC000836888011 630180149 /nfs/dbraw/zinc/18/01/49/630180149.db2.gz IGJAKXPARQKEHI-SFVKERMGSA-N 0 0 303.402 3.250 20 10 DGCDRN CC(C)(CNC(=O)/C=C/c1ccc(O)c(O)c1)C1=CCCC1 ZINC000837216067 630228370 /nfs/dbraw/zinc/22/83/70/630228370.db2.gz MNKLNYVOQKHUQP-CSKARUKUSA-N 0 0 301.386 3.364 20 10 DGCDRN Cc1cc(C(=O)COC(=O)C(C)C)c(C)n1-c1ccc(F)cn1 ZINC000837336664 630242403 /nfs/dbraw/zinc/24/24/03/630242403.db2.gz DDWXKZFEGGGHDC-UHFFFAOYSA-N 0 0 318.348 3.010 20 10 DGCDRN COCC1(C(=O)NCc2c(O)ccc3c2CCCC3)CCCC1 ZINC000837480609 630264593 /nfs/dbraw/zinc/26/45/93/630264593.db2.gz KHMLNXZYBRCPQK-UHFFFAOYSA-N 0 0 317.429 3.094 20 10 DGCDRN CC(C)n1ncc2cc(COC(=O)C3=CC(=O)CS3)cnc21 ZINC000837513679 630269097 /nfs/dbraw/zinc/26/90/97/630269097.db2.gz IGOXXRGBMWZMCO-UHFFFAOYSA-N 0 0 317.370 3.136 20 10 DGCDRN CC(C)(CC(=O)COC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 ZINC000837586604 630280088 /nfs/dbraw/zinc/28/00/88/630280088.db2.gz DMPUJAKQPXAJJN-XBXARRHUSA-N 0 0 318.369 3.050 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)/C=C\c1cccnc1 ZINC000840558560 630337688 /nfs/dbraw/zinc/33/76/88/630337688.db2.gz ZDMFWENYXJBESV-BSDKJSHOSA-N 0 0 323.440 3.217 20 10 DGCDRN CCn1ccc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])n1 ZINC000840840680 630365471 /nfs/dbraw/zinc/36/54/71/630365471.db2.gz NMSMBGWRNUBVKW-JTQLQIEISA-N 0 0 313.323 3.478 20 10 DGCDRN Cc1ccc(O)c([C@@H](C)NCc2nccc(C(F)(F)F)n2)c1 ZINC000840869741 630369646 /nfs/dbraw/zinc/36/96/46/630369646.db2.gz PSJPJGFJGXNTCL-SNVBAGLBSA-N 0 0 311.307 3.360 20 10 DGCDRN O=C1CC[C@H](c2cccc(N[C@@H]3CCc4cccc(O)c43)c2)N1 ZINC000840883059 630371569 /nfs/dbraw/zinc/37/15/69/630371569.db2.gz CVTNVSCQQIWZOT-HZPDHXFCSA-N 0 0 308.381 3.443 20 10 DGCDRN COCCOc1ncccc1NCc1ccc(N(C)C)cc1C ZINC000840881340 630371735 /nfs/dbraw/zinc/37/17/35/630371735.db2.gz IACZRDKJSRRFHZ-UHFFFAOYSA-N 0 0 315.417 3.093 20 10 DGCDRN Cc1cc(O)c(CNCc2csc(N(C)C)n2)c(Cl)c1 ZINC000840902387 630375152 /nfs/dbraw/zinc/37/51/52/630375152.db2.gz OVVBAMZCPDZVMX-UHFFFAOYSA-N 0 0 311.838 3.166 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1CCO[C@@H](c2ccco2)C1 ZINC000840919156 630378232 /nfs/dbraw/zinc/37/82/32/630378232.db2.gz WIQUBWMRWKAVAN-GOSISDBHSA-N 0 0 300.402 3.228 20 10 DGCDRN Cc1cc(O)c(CN2C[C@]3(CCCO3)[C@H]2C2CC2)c(Cl)c1 ZINC000840948961 630382875 /nfs/dbraw/zinc/38/28/75/630382875.db2.gz KEESNJOCOFMNKF-IAGOWNOFSA-N 0 0 307.821 3.497 20 10 DGCDRN COCc1nc(CNCc2c(O)cc(C)cc2Cl)cs1 ZINC000840946725 630382900 /nfs/dbraw/zinc/38/29/00/630382900.db2.gz NJRHDQHERQPNBH-UHFFFAOYSA-N 0 0 312.822 3.247 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000840959653 630386597 /nfs/dbraw/zinc/38/65/97/630386597.db2.gz ZFBSDZUIIRGGOB-CZUORRHYSA-N 0 0 321.779 3.493 20 10 DGCDRN CC[C@H]([NH2+]Cc1cccc(Br)c1[O-])[C@H](O)C(C)C ZINC000840966467 630388000 /nfs/dbraw/zinc/38/80/00/630388000.db2.gz FYGVANRZJIEZPT-QWHCGFSZSA-N 0 0 316.239 3.040 20 10 DGCDRN CN(C)c1ccc(/C=C\CN2CC(CO)(c3ccccc3)C2)cc1 ZINC000840970180 630388971 /nfs/dbraw/zinc/38/89/71/630388971.db2.gz PEBWFKGSXMUMQN-SREVYHEPSA-N 0 0 322.452 3.012 20 10 DGCDRN Cc1cc(O)c(C[N@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1C ZINC000840997407 630393282 /nfs/dbraw/zinc/39/32/82/630393282.db2.gz DKTZJOSPWQZKSA-KBMXLJTQSA-N 0 0 303.402 3.227 20 10 DGCDRN COc1ccc(CC(C)(C)NC(=O)Nc2ccc(N)cc2)cc1 ZINC000841296018 630424041 /nfs/dbraw/zinc/42/40/41/630424041.db2.gz MRNQLCUDWHZXDH-UHFFFAOYSA-N 0 0 313.401 3.420 20 10 DGCDRN CC[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc(N)cc1 ZINC000841296004 630424155 /nfs/dbraw/zinc/42/41/55/630424155.db2.gz MOBYWCOLOYISDW-KRWDZBQOSA-N 0 0 313.401 3.074 20 10 DGCDRN Cc1ccc(C)c(N2CCN(C(=O)Nc3ccc(N)cc3)CC2)c1 ZINC000841297441 630424464 /nfs/dbraw/zinc/42/44/64/630424464.db2.gz FEUNCOJFXWMVRH-UHFFFAOYSA-N 0 0 324.428 3.240 20 10 DGCDRN CC(C)(CO)[C@@H](NC(=O)Nc1ccc(N)cc1)c1cccs1 ZINC000841298330 630424492 /nfs/dbraw/zinc/42/44/92/630424492.db2.gz AJIOVTMOKFJUTA-AWEZNQCLSA-N 0 0 319.430 3.212 20 10 DGCDRN Cc1csc(CCCCNC(=O)Nc2ccc(N)cc2)n1 ZINC000841301107 630425047 /nfs/dbraw/zinc/42/50/47/630425047.db2.gz APZJXTAMFNUIMU-UHFFFAOYSA-N 0 0 304.419 3.178 20 10 DGCDRN Nc1ccc(NC(=O)N(Cc2ccco2)C[C@H]2CCCO2)cc1 ZINC000841301527 630425415 /nfs/dbraw/zinc/42/54/15/630425415.db2.gz SICWRTKUUHSOIL-MRXNPFEDSA-N 0 0 315.373 3.075 20 10 DGCDRN Cc1cccc(C)c1OC[C@H](C)NC(=O)Nc1ccc(N)cc1 ZINC000841301490 630425478 /nfs/dbraw/zinc/42/54/78/630425478.db2.gz RAYFWXHXPODQLP-AWEZNQCLSA-N 0 0 313.401 3.475 20 10 DGCDRN C[C@H](NCc1nnc2n1CCCCC2)c1ccc(Cl)cc1O ZINC000841743839 630461238 /nfs/dbraw/zinc/46/12/38/630461238.db2.gz KKAHPJCUSYNBAP-NSHDSACASA-N 0 0 320.824 3.214 20 10 DGCDRN C[C@H]([NH2+]CCC(=O)Nc1ccccn1)c1ccc(Cl)cc1[O-] ZINC000841746383 630461607 /nfs/dbraw/zinc/46/16/07/630461607.db2.gz FRNVRSLZPBFVIN-NSHDSACASA-N 0 0 319.792 3.120 20 10 DGCDRN CC[C@H](NC(=O)NCCc1ccc(N)cc1)C1CCCCC1 ZINC000841774505 630464315 /nfs/dbraw/zinc/46/43/15/630464315.db2.gz DWBJTMHZCBMYBN-KRWDZBQOSA-N 0 0 303.450 3.469 20 10 DGCDRN CCC[C@@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841788086 630465171 /nfs/dbraw/zinc/46/51/71/630465171.db2.gz RHAJDQMFVVBAQF-WBVHZDCISA-N 0 0 303.450 3.469 20 10 DGCDRN O=C([O-])CC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000841805271 630466335 /nfs/dbraw/zinc/46/63/35/630466335.db2.gz LTHNQUKTHVMDDQ-KRWDZBQOSA-N 0 0 311.381 3.317 20 10 DGCDRN C[C@H]1Cc2ccccc2[C@@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841809513 630466583 /nfs/dbraw/zinc/46/65/83/630466583.db2.gz ZWYZSNVEYIFMKA-SCLBCKFNSA-N 0 0 309.413 3.044 20 10 DGCDRN CC[C@@H](CCC(=O)[O-])[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000841812548 630467085 /nfs/dbraw/zinc/46/70/85/630467085.db2.gz XVNDEHURTWNMKS-INIZCTEOSA-N 0 0 304.434 3.410 20 10 DGCDRN CCOCc1cc(C[NH2+]C(C)(C)C[C@H](C)C(=O)[O-])ccc1OC ZINC000841815796 630468026 /nfs/dbraw/zinc/46/80/26/630468026.db2.gz KUKKLYNGLYZIKE-ZDUSSCGKSA-N 0 0 323.433 3.211 20 10 DGCDRN CCC[C@H](CCCC[NH2+]Cc1ccc2c(c1)CCO2)C(=O)[O-] ZINC000841816427 630468114 /nfs/dbraw/zinc/46/81/14/630468114.db2.gz UNAIRAUFFVESFE-OAHLLOKOSA-N 0 0 305.418 3.382 20 10 DGCDRN CCS[C@H]1CCCC[C@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841855466 630471404 /nfs/dbraw/zinc/47/14/04/630471404.db2.gz PBTJABCBSPOXRM-CVEARBPZSA-N 0 0 321.490 3.175 20 10 DGCDRN C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)NCCc1ccc(N)cc1 ZINC000841954237 630476274 /nfs/dbraw/zinc/47/62/74/630476274.db2.gz KLDOBEICPWBSTQ-CRAIPNDOSA-N 0 0 323.440 3.399 20 10 DGCDRN CC[C@H](C)[C@@H]1CCCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841953949 630476379 /nfs/dbraw/zinc/47/63/79/630476379.db2.gz GNLCUBVGAVXSMD-YOEHRIQHSA-N 0 0 303.450 3.422 20 10 DGCDRN CC(C)C[C@@]1(C)CCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841956250 630476958 /nfs/dbraw/zinc/47/69/58/630476958.db2.gz ZUOSJKGSJTYTGL-GOSISDBHSA-N 0 0 303.450 3.422 20 10 DGCDRN C[C@H]1CC[C@]2(CCN(C(=O)NCCc3ccc(N)cc3)C2)C1 ZINC000841959006 630477320 /nfs/dbraw/zinc/47/73/20/630477320.db2.gz KECXVUGUOILCLR-KSSFIOAISA-N 0 0 301.434 3.033 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CCC[C@@H]2c2cccs2)cc1 ZINC000841963366 630477986 /nfs/dbraw/zinc/47/79/86/630477986.db2.gz ZUJYDHVATWMQRD-OAHLLOKOSA-N 0 0 315.442 3.420 20 10 DGCDRN CCNC(=O)c1ccc(NCc2cc(OCC)ccc2O)cc1 ZINC000842212435 630505897 /nfs/dbraw/zinc/50/58/97/630505897.db2.gz AYZCLGFUPVSEHJ-UHFFFAOYSA-N 0 0 314.385 3.153 20 10 DGCDRN CC(C)Cn1nccc1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000842672829 630561702 /nfs/dbraw/zinc/56/17/02/630561702.db2.gz DHWWNJNWMVFTTJ-UHFFFAOYSA-N 0 0 304.413 3.034 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)C(F)(F)c2ccccc2)c1 ZINC000104901081 630574130 /nfs/dbraw/zinc/57/41/30/630574130.db2.gz ZUXTZKFQRFMSJU-NSHDSACASA-N 0 0 321.323 3.370 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)c3occc3C)C2)cc1 ZINC000842877263 630588437 /nfs/dbraw/zinc/58/84/37/630588437.db2.gz BOGBPIQQSSPJNQ-CQSZACIVSA-N 0 0 315.369 3.280 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)C[C@@H](C)SC)C2)cc1 ZINC000842877460 630588453 /nfs/dbraw/zinc/58/84/53/630588453.db2.gz AJETWLSTNRYQEM-ZIAGYGMSSA-N 0 0 323.458 3.206 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)c3ccoc3C)C2)cc1 ZINC000842881409 630588998 /nfs/dbraw/zinc/58/89/98/630588998.db2.gz NOZSQIDTCMEULV-AWEZNQCLSA-N 0 0 315.369 3.280 20 10 DGCDRN C[C@@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000842920541 630593476 /nfs/dbraw/zinc/59/34/76/630593476.db2.gz JCZSXNZVJRFTMB-WZRBSPASSA-N 0 0 308.378 3.297 20 10 DGCDRN CCc1cccc(NC(=O)NCc2cccc(OC)c2O)c1 ZINC000104976505 630600915 /nfs/dbraw/zinc/60/09/15/630600915.db2.gz VAVKPPULITXHKS-UHFFFAOYSA-N 0 0 300.358 3.285 20 10 DGCDRN Cn1c2ccc(OC(=O)C[C@@H]3CCOC3)cc2c2c1CCCC2 ZINC000843020268 630604427 /nfs/dbraw/zinc/60/44/27/630604427.db2.gz DLPDUYQRXISFHE-ZDUSSCGKSA-N 0 0 313.397 3.389 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H]1C(=O)[O-] ZINC000843040132 630606281 /nfs/dbraw/zinc/60/62/81/630606281.db2.gz GRAVLDIXAATMNM-CRAIPNDOSA-N 0 0 316.445 3.220 20 10 DGCDRN C[NH2+]CCC1CC[NH+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000843057119 630609572 /nfs/dbraw/zinc/60/95/72/630609572.db2.gz BWADMGFSBIGAPN-UHFFFAOYSA-N 0 0 300.805 3.006 20 10 DGCDRN [NH3+]C[C@H]1c2ccccc2CCN1Cc1c([O-])ccc(Cl)c1F ZINC000843128770 630617148 /nfs/dbraw/zinc/61/71/48/630617148.db2.gz LJVZQTVTAQXCBY-HNNXBMFYSA-N 0 0 320.795 3.243 20 10 DGCDRN [NH3+]C[C@@H]1c2ccccc2CCN1Cc1cccc(Cl)c1[O-] ZINC000843129574 630617734 /nfs/dbraw/zinc/61/77/34/630617734.db2.gz PXHYUBBSKIVPST-MRXNPFEDSA-N 0 0 302.805 3.104 20 10 DGCDRN CCC[C@@H]1C[C@H](c2nc(Cc3ccc(N)cc3)no2)CCO1 ZINC000843158649 630622819 /nfs/dbraw/zinc/62/28/19/630622819.db2.gz FQDYTIZJRUKZKO-UKRRQHHQSA-N 0 0 301.390 3.305 20 10 DGCDRN COc1cccc(C2(c3noc(Cc4ccc(N)cc4)n3)CC2)c1 ZINC000843231955 630636276 /nfs/dbraw/zinc/63/62/76/630636276.db2.gz RNRKRFSJFPGZEX-UHFFFAOYSA-N 0 0 321.380 3.331 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000843306136 630644647 /nfs/dbraw/zinc/64/46/47/630644647.db2.gz MHXHOIYMBSVNLE-DLBZAZTESA-N 0 0 304.434 3.266 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1CCc2cc(Cl)nnc2C1 ZINC000843416011 630654270 /nfs/dbraw/zinc/65/42/70/630654270.db2.gz OMWJVZPWZZAKGK-UHFFFAOYSA-N 0 0 316.836 3.063 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@H]2CCCC[C@H]2C2CC2)c1 ZINC000843830280 630701788 /nfs/dbraw/zinc/70/17/88/630701788.db2.gz FMHPWJSQZSOETN-HOTGVXAUSA-N 0 0 303.402 3.233 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC000843852660 630702089 /nfs/dbraw/zinc/70/20/89/630702089.db2.gz ZHLGZQNNWUUNSF-FPMFFAJLSA-N 0 0 305.418 3.217 20 10 DGCDRN O=C(NCc1cc(Br)ccc1O)C1CC2(CCC2)C1 ZINC000843887765 630702687 /nfs/dbraw/zinc/70/26/87/630702687.db2.gz ZXODBXZPDLRYTJ-UHFFFAOYSA-N 0 0 324.218 3.351 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CO[C@H](C)C1 ZINC000844104069 630709439 /nfs/dbraw/zinc/70/94/39/630709439.db2.gz CNAHQYNAVGXZEU-CHWSQXEVSA-N 0 0 304.415 3.063 20 10 DGCDRN Cc1cc(C(=O)N[C@H]2CO[C@H](C)C2)c(C)n1-c1ccccc1C ZINC000844106272 630709492 /nfs/dbraw/zinc/70/94/92/630709492.db2.gz MLFVNSPYFCREQU-GDBMZVCRSA-N 0 0 312.413 3.310 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2CO[C@H](C)C2)c(C)n1-c1ccccc1C ZINC000844106275 630709565 /nfs/dbraw/zinc/70/95/65/630709565.db2.gz MLFVNSPYFCREQU-ZBFHGGJFSA-N 0 0 312.413 3.310 20 10 DGCDRN O=C([O-])[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)CC1CC1 ZINC000844291701 630716199 /nfs/dbraw/zinc/71/61/99/630716199.db2.gz YCXGNSJCVWYCJH-QGZVFWFLSA-N 0 0 316.445 3.267 20 10 DGCDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1cc2n(n1)CCC2 ZINC000844306143 630717623 /nfs/dbraw/zinc/71/76/23/630717623.db2.gz SURBKHVKWZYKDC-UHFFFAOYSA-N 0 0 319.355 3.384 20 10 DGCDRN COc1ccc(N(C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000844353406 630720680 /nfs/dbraw/zinc/72/06/80/630720680.db2.gz VZIXHXWPFWVTIA-AWEZNQCLSA-N 0 0 320.433 3.388 20 10 DGCDRN CCOc1ccccc1NC(=O)CN(C)c1ccc(OC)cc1 ZINC000844353076 630720716 /nfs/dbraw/zinc/72/07/16/630720716.db2.gz FVHKQUIVEMBQCS-UHFFFAOYSA-N 0 0 314.385 3.169 20 10 DGCDRN CC(C)c1nn(C)cc1NC(=O)NCc1cc(Cl)ccc1O ZINC000844652535 630752807 /nfs/dbraw/zinc/75/28/07/630752807.db2.gz IPKZDCJSWIEUCZ-UHFFFAOYSA-N 0 0 322.796 3.224 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)c2ccc(C)s2)cc1 ZINC000844852576 630943140 /nfs/dbraw/zinc/94/31/40/630943140.db2.gz QYRMUUSBYFEBQA-UHFFFAOYSA-N 0 0 318.442 3.274 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H]2CC[C@@H](C)C2)cc1 ZINC000844856256 630945205 /nfs/dbraw/zinc/94/52/05/630945205.db2.gz MLXVLGPHAPJDDN-CABCVRRESA-N 0 0 304.434 3.026 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)CC[C@H](C)SC)cc1 ZINC000844856593 630945305 /nfs/dbraw/zinc/94/53/05/630945305.db2.gz QJNPHJVHZGDJGP-AWEZNQCLSA-N 0 0 324.490 3.122 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)cc1 ZINC000844856871 630947402 /nfs/dbraw/zinc/94/74/02/630947402.db2.gz NYVFELYPTFAMOA-VKJFTORMSA-N 0 0 316.445 3.026 20 10 DGCDRN COc1cccc(CNC(=O)c2cc(SC)ccc2C)c1O ZINC000105651963 630950763 /nfs/dbraw/zinc/95/07/63/630950763.db2.gz SUEAALSDDOBNDB-UHFFFAOYSA-N 0 0 317.410 3.361 20 10 DGCDRN COc1cccc(CNC(=O)c2ccc3ccccc3c2)c1O ZINC000105652823 630950789 /nfs/dbraw/zinc/95/07/89/630950789.db2.gz SJJNMWRIZLDQCW-UHFFFAOYSA-N 0 0 307.349 3.484 20 10 DGCDRN C[C@@H](NC(=O)NC1(C2CCC2)CC1)c1ccc(N(C)C)cc1 ZINC000845125934 631087037 /nfs/dbraw/zinc/08/70/37/631087037.db2.gz RUUBVYVOUGGHCA-CYBMUJFWSA-N 0 0 301.434 3.446 20 10 DGCDRN O=C(NCCC1CC(F)(F)C1)NCc1cc(Cl)ccc1O ZINC000845252786 631156510 /nfs/dbraw/zinc/15/65/10/631156510.db2.gz WTPXOOSUGPMJTC-UHFFFAOYSA-N 0 0 318.751 3.280 20 10 DGCDRN CCC[C@@H](C)[C@H](CO)[NH2+]Cc1cccc(Br)c1[O-] ZINC000846017136 631206300 /nfs/dbraw/zinc/20/63/00/631206300.db2.gz LJVPFQDTPUQZSJ-MFKMUULPSA-N 0 0 316.239 3.041 20 10 DGCDRN C[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)C2(CCC2)CO1 ZINC000846067210 631208799 /nfs/dbraw/zinc/20/87/99/631208799.db2.gz PANXFZOVTQQRFM-DQOPKJQZSA-N 0 0 300.446 3.409 20 10 DGCDRN COc1cc(Br)cc(CN2CCC[C@@H](F)C2)c1O ZINC000846119171 631210671 /nfs/dbraw/zinc/21/06/71/631210671.db2.gz BOSIHHYWZZBTCC-LLVKDONJSA-N 0 0 318.186 3.097 20 10 DGCDRN COc1ccc(O)c(CN2CCOc3cc(F)c(F)cc32)c1 ZINC000846123337 631211059 /nfs/dbraw/zinc/21/10/59/631211059.db2.gz PNLZCIMRYMAFJC-UHFFFAOYSA-N 0 0 307.296 3.078 20 10 DGCDRN COc1cccc([C@H](C)N[C@@H]2COc3cc(F)cc(F)c32)c1O ZINC000846162071 631213010 /nfs/dbraw/zinc/21/30/10/631213010.db2.gz GHBRTNKMEZBPQD-TVQRCGJNSA-N 0 0 321.323 3.463 20 10 DGCDRN CC[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000846193762 631214439 /nfs/dbraw/zinc/21/44/39/631214439.db2.gz OGECOPJYRJZFKC-VFWDIBGWSA-N 0 0 317.216 3.004 20 10 DGCDRN CC[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)c1cccc(Cl)c1[O-] ZINC000846210886 631215238 /nfs/dbraw/zinc/21/52/38/631215238.db2.gz CWNBCNLBBPQUAF-ZBFHGGJFSA-N 0 0 313.825 3.018 20 10 DGCDRN Cc1cc(C[N@@H+]2CCC[C@@H]2C(=O)[O-])ccc1N1CCCCC1 ZINC000846228836 631215948 /nfs/dbraw/zinc/21/59/48/631215948.db2.gz QMQQKOVAFHVCHP-QGZVFWFLSA-N 0 0 302.418 3.034 20 10 DGCDRN CCN(C)c1ccc(C[N@@H+]2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000846281901 631220706 /nfs/dbraw/zinc/22/07/06/631220706.db2.gz RUWHRXCGIJEZGY-OAHLLOKOSA-N 0 0 304.434 3.220 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1cc2c([nH]1)CCCC2 ZINC000846475238 631250410 /nfs/dbraw/zinc/25/04/10/631250410.db2.gz AOEQKNQDXFHCTK-UHFFFAOYSA-N 0 0 304.777 3.183 20 10 DGCDRN CC(C)(C)C(=O)CCCC(=O)NCc1cc(Cl)ccc1O ZINC000846475392 631250463 /nfs/dbraw/zinc/25/04/63/631250463.db2.gz DDLIFSRGFIZZGN-UHFFFAOYSA-N 0 0 311.809 3.447 20 10 DGCDRN Cc1noc(C)c1[C@@H](C)CC(=O)NCc1cc(Cl)ccc1O ZINC000846476849 631250580 /nfs/dbraw/zinc/25/05/80/631250580.db2.gz QWPNAUZGFGTNIA-VIFPVBQESA-N 0 0 322.792 3.460 20 10 DGCDRN Cc1nc(CCCC(=O)NCc2cc(Cl)ccc2O)cs1 ZINC000846475757 631250801 /nfs/dbraw/zinc/25/08/01/631250801.db2.gz IISHHQTURGRTSF-UHFFFAOYSA-N 0 0 324.833 3.450 20 10 DGCDRN Cc1oc(C(C)C)nc1C(=O)NCc1cc(Cl)ccc1O ZINC000846477959 631251132 /nfs/dbraw/zinc/25/11/32/631251132.db2.gz WHJVBJNPBJZIOW-UHFFFAOYSA-N 0 0 308.765 3.395 20 10 DGCDRN Cc1cc(C(=O)N(C)[C@H](C)CCO)c(C)n1-c1cccc(C)c1 ZINC000846600043 631272324 /nfs/dbraw/zinc/27/23/24/631272324.db2.gz KSDBVUZPIKDUSD-CQSZACIVSA-N 0 0 314.429 3.245 20 10 DGCDRN C[C@H]1CN(C(=O)Cc2ccc(N)cc2)CCc2ccc(F)cc21 ZINC000846701106 631289212 /nfs/dbraw/zinc/28/92/12/631289212.db2.gz QYYQOCGJFAVSRD-ZDUSSCGKSA-N 0 0 312.388 3.139 20 10 DGCDRN CC(C)OC[C@H](O)CN(C)c1ccc(-c2nccs2)cc1 ZINC000846990880 631375333 /nfs/dbraw/zinc/37/53/33/631375333.db2.gz GDNRVTOFBIIDKJ-OAHLLOKOSA-N 0 0 306.431 3.032 20 10 DGCDRN CN(C[C@@H](O)C(F)(F)F)c1ccc(-c2nccs2)cc1 ZINC000846992748 631376179 /nfs/dbraw/zinc/37/61/79/631376179.db2.gz MITGSVSGIJGFPJ-LLVKDONJSA-N 0 0 302.321 3.170 20 10 DGCDRN CCCn1ncnc1CN(C)c1ccc(-c2nccs2)cc1 ZINC000846997858 631377572 /nfs/dbraw/zinc/37/75/72/631377572.db2.gz ZPTIFROYBXIFQA-UHFFFAOYSA-N 0 0 313.430 3.448 20 10 DGCDRN COc1ccccc1NC(=S)NCc1ccc(N(C)C)cc1 ZINC000006247481 631600110 /nfs/dbraw/zinc/60/01/10/631600110.db2.gz FHXWSSZABZLICP-UHFFFAOYSA-N 0 0 315.442 3.248 20 10 DGCDRN CCN1C[C@@H](CSc2ncc(-c3ccccc3)n2C)OC1=O ZINC000848427301 631660097 /nfs/dbraw/zinc/66/00/97/631660097.db2.gz VKNMKNAVALVPAW-ZDUSSCGKSA-N 0 0 317.414 3.020 20 10 DGCDRN Cc1cnc(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(C)c1 ZINC000848561398 631693832 /nfs/dbraw/zinc/69/38/32/631693832.db2.gz YUYZNACIUPKMLM-CYBMUJFWSA-N 0 0 315.373 3.206 20 10 DGCDRN CC(C)c1ccccc1/C=C1/SC(N2CCOCC2)=NC1=O ZINC000848639453 631715698 /nfs/dbraw/zinc/71/56/98/631715698.db2.gz VDXPBCAFNKMUAX-RVDMUPIBSA-N 0 0 316.426 3.113 20 10 DGCDRN CSc1nc(C(F)F)cc(N(C)Cc2ccccc2O)n1 ZINC000848674589 631725364 /nfs/dbraw/zinc/72/53/64/631725364.db2.gz GTHXQNSYXSDEHW-UHFFFAOYSA-N 0 0 311.357 3.478 20 10 DGCDRN CCc1cccc(CN(C)Cc2nc3ccccc3c(=O)[nH]2)c1O ZINC000848877844 631768401 /nfs/dbraw/zinc/76/84/01/631768401.db2.gz UNVYCEIFIPHUCW-UHFFFAOYSA-N 0 0 323.396 3.235 20 10 DGCDRN CN(C)c1ccc(CN(Cc2cnc(Cl)n2C)C2CC2)cc1 ZINC000848881496 631768959 /nfs/dbraw/zinc/76/89/59/631768959.db2.gz OUCWDLIHEZDZLU-UHFFFAOYSA-N 0 0 318.852 3.304 20 10 DGCDRN CCOc1ccc(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)c(O)c1 ZINC000848924975 631789718 /nfs/dbraw/zinc/78/97/18/631789718.db2.gz JFGUJHPQPSLOTN-QGZVFWFLSA-N 0 0 305.418 3.324 20 10 DGCDRN COc1ccc2c(c1)[C@@H](C(=O)NCc1ccc(N)cc1)CCC2 ZINC000848940566 631792613 /nfs/dbraw/zinc/79/26/13/631792613.db2.gz PJIJGMYSQNGSHU-KRWDZBQOSA-N 0 0 310.397 3.014 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)c3cscn3)cc2)CC1 ZINC000108295707 631842204 /nfs/dbraw/zinc/84/22/04/631842204.db2.gz XWDPHMZLAOGCHW-UHFFFAOYSA-N 0 0 315.442 3.309 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)c3cccn3C)cc2)CC1 ZINC000108295254 631842571 /nfs/dbraw/zinc/84/25/71/631842571.db2.gz GEVOIPPRBVSRRU-UHFFFAOYSA-N 0 0 311.429 3.191 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC(F)F ZINC000849332780 631895102 /nfs/dbraw/zinc/89/51/02/631895102.db2.gz INFYIUCKBTWDGF-UHFFFAOYSA-N 0 0 311.376 3.083 20 10 DGCDRN CN(C)c1ccc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)cc1 ZINC000849345345 631897381 /nfs/dbraw/zinc/89/73/81/631897381.db2.gz IHLXAIVZGHICMP-FGTMMUONSA-N 0 0 316.445 3.218 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCc1cscn1 ZINC000108942048 631989443 /nfs/dbraw/zinc/98/94/43/631989443.db2.gz TVOJARAUMAEQQW-UHFFFAOYSA-N 0 0 303.214 3.488 20 10 DGCDRN C[C@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccccc1F ZINC000108958795 631991645 /nfs/dbraw/zinc/99/16/45/631991645.db2.gz XZUYBCPQAJFTLW-ZDUSSCGKSA-N 0 0 300.377 3.312 20 10 DGCDRN O=C(CSc1ncc(Cl)s1)NC(C1CC1)C1CC1 ZINC000849999451 632024351 /nfs/dbraw/zinc/02/43/51/632024351.db2.gz RUTJBWOWZLTVHV-UHFFFAOYSA-N 0 0 302.852 3.193 20 10 DGCDRN COc1cc(CNc2cc(C)n(C)n2)c(O)c(C(C)(C)C)c1 ZINC000850222299 632084676 /nfs/dbraw/zinc/08/46/76/632084676.db2.gz UVQKSJGDKNLLAK-UHFFFAOYSA-N 0 0 303.406 3.352 20 10 DGCDRN CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000850343900 632119073 /nfs/dbraw/zinc/11/90/73/632119073.db2.gz SZDOIQQNUDFXLW-SNVBAGLBSA-N 0 0 300.805 3.147 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2C[C@H](Oc3ccccc3)C2)c1 ZINC000850374296 632129618 /nfs/dbraw/zinc/12/96/18/632129618.db2.gz IDLLURFCELPXLC-SAZUREKKSA-N 0 0 314.341 3.000 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H](CO)CC1CC1 ZINC000850387907 632135807 /nfs/dbraw/zinc/13/58/07/632135807.db2.gz CGIPPKLKIOHLMQ-JTQLQIEISA-N 0 0 304.217 3.197 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000850388775 632136834 /nfs/dbraw/zinc/13/68/34/632136834.db2.gz PLOUBMFZSWKFLU-RYUDHWBXSA-N 0 0 302.201 3.092 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000850388793 632137061 /nfs/dbraw/zinc/13/70/61/632137061.db2.gz PLOUBMFZSWKFLU-VXGBXAGGSA-N 0 0 302.201 3.092 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000850405603 632142186 /nfs/dbraw/zinc/14/21/86/632142186.db2.gz WPXRANCJSXATRU-UHFFFAOYSA-N 0 0 323.742 3.215 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H](C)c2nccn2C)c1 ZINC000850409581 632143012 /nfs/dbraw/zinc/14/30/12/632143012.db2.gz BVEKNMQRYVDHMJ-SNVBAGLBSA-N 0 0 324.222 3.047 20 10 DGCDRN C[C@@H](O)[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)c1ccccc1 ZINC000850421573 632147497 /nfs/dbraw/zinc/14/74/97/632147497.db2.gz YTUDSRGPXOKKBV-QLJPJBMISA-N 0 0 309.768 3.396 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)c2ccccn2)c1 ZINC000850483273 632166326 /nfs/dbraw/zinc/16/63/26/632166326.db2.gz VQRQDSLQUIOJOI-STQMWFEESA-N 0 0 314.385 3.028 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H](OC)[C@@H]1CCOC1)c1cccc(Cl)c1[O-] ZINC000850485212 632167078 /nfs/dbraw/zinc/16/70/78/632167078.db2.gz ZAZKYQOSPFDZAO-BYCMXARLSA-N 0 0 313.825 3.138 20 10 DGCDRN C[C@H]([NH2+][C@@H](CO)C1CCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000850487712 632167629 /nfs/dbraw/zinc/16/76/29/632167629.db2.gz JLANVXBDGOFBPX-ZANVPECISA-N 0 0 303.324 3.223 20 10 DGCDRN CC[C@@H](COCC1CC1)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000850494619 632170748 /nfs/dbraw/zinc/17/07/48/632170748.db2.gz RDLCDGKDFTWRRA-DOMZBBRYSA-N 0 0 321.417 3.035 20 10 DGCDRN C[C@H]([NH2+]Cc1cccnc1N1CCCC1)c1ccc(F)cc1[O-] ZINC000850502017 632173356 /nfs/dbraw/zinc/17/33/56/632173356.db2.gz RGTFWAXVMWIJSB-ZDUSSCGKSA-N 0 0 315.392 3.377 20 10 DGCDRN C[C@@H]([NH2+]C/C=C\CO)c1cc(Br)cc(Cl)c1[O-] ZINC000850508691 632175431 /nfs/dbraw/zinc/17/54/31/632175431.db2.gz NDDBJKPLYNZLIF-YAJNLLPGSA-N 0 0 320.614 3.007 20 10 DGCDRN C[C@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850536903 632185612 /nfs/dbraw/zinc/18/56/12/632185612.db2.gz OWAJJKFSTJJGKI-ZANVPECISA-N 0 0 300.305 3.386 20 10 DGCDRN C[C@@H]([NH2+]CC[C@]1(C)CC1(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850536900 632185911 /nfs/dbraw/zinc/18/59/11/632185911.db2.gz OWAJJKFSTJJGKI-NOZJJQNGSA-N 0 0 300.305 3.386 20 10 DGCDRN COc1ccnc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])c1F ZINC000850536775 632186354 /nfs/dbraw/zinc/18/63/54/632186354.db2.gz JVEXFALIWBJVEJ-MRVPVSSYSA-N 0 0 312.291 3.064 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1)c1ccc(F)cc1[O-] ZINC000850540055 632187365 /nfs/dbraw/zinc/18/73/65/632187365.db2.gz HVWXUHKFVNJQMK-QEORTHHSSA-N 0 0 317.408 3.327 20 10 DGCDRN C[C@H]([NH2+]C[C@H](O)[C@@H](C)c1ccccc1)c1ccc(F)cc1[O-] ZINC000850573480 632198536 /nfs/dbraw/zinc/19/85/36/632198536.db2.gz MQUJONXAZGUTOW-LXIYXOSZSA-N 0 0 303.377 3.347 20 10 DGCDRN C[C@H](O)[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000850583624 632202389 /nfs/dbraw/zinc/20/23/89/632202389.db2.gz MSGLHRLTGUIBDV-XMZIXOGTSA-N 0 0 307.340 3.443 20 10 DGCDRN C[C@H](O)[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000850585555 632203339 /nfs/dbraw/zinc/20/33/39/632203339.db2.gz ZICAIELZHGXLHW-PRXAMGSTSA-N 0 0 316.357 3.073 20 10 DGCDRN Nc1ccc(NC(=O)N2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1 ZINC000850750978 632214684 /nfs/dbraw/zinc/21/46/84/632214684.db2.gz RPLFLBMNLHDINC-CJNGLKHVSA-N 0 0 303.406 3.082 20 10 DGCDRN COc1cc(C)c(C)cc1NC(=O)NCCc1ccc(N)cc1 ZINC000850755088 632215873 /nfs/dbraw/zinc/21/58/73/632215873.db2.gz AUSNBTNKHGCMHZ-UHFFFAOYSA-N 0 0 313.401 3.258 20 10 DGCDRN COc1ccc(N2CCN(CC=C(Cl)Cl)CC2)cc1 ZINC000851714355 632473247 /nfs/dbraw/zinc/47/32/47/632473247.db2.gz PNVQWPZHJBBMRY-UHFFFAOYSA-N 0 0 301.217 3.136 20 10 DGCDRN CC(=O)c1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)cc1 ZINC000110259195 632512696 /nfs/dbraw/zinc/51/26/96/632512696.db2.gz SOPCSAJMFUZSRH-UHFFFAOYSA-N 0 0 322.408 3.202 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Cc2c(F)cccc2Cl)cc1 ZINC000008170804 632545515 /nfs/dbraw/zinc/54/55/15/632545515.db2.gz UKIFHIFYZSOCJP-UHFFFAOYSA-N 0 0 320.795 3.404 20 10 DGCDRN Cc1ccccc1SCC(=O)NCc1ccc(N(C)C)cc1 ZINC000008171194 632546208 /nfs/dbraw/zinc/54/62/08/632546208.db2.gz JCERQJYLKMPLBU-UHFFFAOYSA-N 0 0 314.454 3.470 20 10 DGCDRN CC(C)(F)CCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000852138419 632561500 /nfs/dbraw/zinc/56/15/00/632561500.db2.gz NNPFFNOULUEVMV-UHFFFAOYSA-N 0 0 305.397 3.000 20 10 DGCDRN O=C(NCCCC1CCC1)NCc1ccc(N2CC=CC2)cc1 ZINC000852138970 632561588 /nfs/dbraw/zinc/56/15/88/632561588.db2.gz XSPCVYLKMWFNAN-UHFFFAOYSA-N 0 0 313.445 3.442 20 10 DGCDRN CN(C)c1ccc(CN(C)[C@@H](c2nc[nH]n2)c2ccccc2)cc1 ZINC000852151699 632563387 /nfs/dbraw/zinc/56/33/87/632563387.db2.gz KUMNKXWVZRUHDO-GOSISDBHSA-N 0 0 321.428 3.092 20 10 DGCDRN COc1cc2c(c(OC)c1)N(Cc1cc(C)nc(C)n1)CCC2 ZINC000852172014 632566603 /nfs/dbraw/zinc/56/66/03/632566603.db2.gz DLHFSBSLEWNQGK-UHFFFAOYSA-N 0 0 313.401 3.063 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CC(C)C)C2)cc1 ZINC000852222629 632574322 /nfs/dbraw/zinc/57/43/22/632574322.db2.gz IJFYYUMAEHOABP-GJZGRUSLSA-N 0 0 319.449 3.008 20 10 DGCDRN C[C@@H](NC(=O)NC[C@@]1(C)CC1(F)F)c1ccc(N(C)C)cc1 ZINC000852261265 632578115 /nfs/dbraw/zinc/57/81/15/632578115.db2.gz OMWUCOZJVZUHJI-IAQYHMDHSA-N 0 0 311.376 3.158 20 10 DGCDRN C[C@@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1cscn1 ZINC000852261391 632578201 /nfs/dbraw/zinc/57/82/01/632578201.db2.gz RCFQHZKWAPMMLA-VXGBXAGGSA-N 0 0 318.446 3.331 20 10 DGCDRN CCOc1ccccc1COC(=O)c1ccc(C)c(O)c1O ZINC000110529024 632584506 /nfs/dbraw/zinc/58/45/06/632584506.db2.gz LPJWFQFSWKXIBL-UHFFFAOYSA-N 0 0 302.326 3.162 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H]1C=CCC1 ZINC000852385426 632598138 /nfs/dbraw/zinc/59/81/38/632598138.db2.gz PQQSQAUBWUQWLN-GDBMZVCRSA-N 0 0 301.434 3.010 20 10 DGCDRN CCCCN(CC)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852453374 632606175 /nfs/dbraw/zinc/60/61/75/632606175.db2.gz LSAOVSLNWBPTSI-HNNXBMFYSA-N 0 0 319.449 3.106 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cc1ccco1 ZINC000268734710 660227281 /nfs/dbraw/zinc/22/72/81/660227281.db2.gz PKJGMVDUYGJVQC-UHFFFAOYSA-N 0 0 312.413 3.471 20 10 DGCDRN COCCCCC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000173669599 659396217 /nfs/dbraw/zinc/39/62/17/659396217.db2.gz UKYFYGZMMZAFIQ-UHFFFAOYSA-N 0 0 317.385 3.331 20 10 DGCDRN O=C(c1cccc(O)c1O)N(Cc1ccccc1)CC(F)F ZINC000185761058 660239649 /nfs/dbraw/zinc/23/96/49/660239649.db2.gz SPZILAFCZVWNME-UHFFFAOYSA-N 0 0 307.296 3.005 20 10 DGCDRN O=C(NCCCSc1nccs1)c1ccncc1Cl ZINC000073093920 660240031 /nfs/dbraw/zinc/24/00/31/660240031.db2.gz ADQAFPYVIMNNLQ-UHFFFAOYSA-N 0 0 313.835 3.104 20 10 DGCDRN COc1cccc(CNC(=O)NCc2cccc(Cl)c2)c1O ZINC000073430461 660339681 /nfs/dbraw/zinc/33/96/81/660339681.db2.gz OYOLBGXUGKHBGV-UHFFFAOYSA-N 0 0 320.776 3.054 20 10 DGCDRN COc1ccc(C=C2SC(=S)NC2=O)cc1OCC(C)C ZINC000005128451 660386957 /nfs/dbraw/zinc/38/69/57/660386957.db2.gz ZUPQUUFJQQJQOI-QPEQYQDCSA-N 0 0 323.439 3.219 20 10 DGCDRN COc1cccc(CNC(=O)NC[C@@H]2CCC[C@@H](C)C2)c1O ZINC000073831906 660565204 /nfs/dbraw/zinc/56/52/04/660565204.db2.gz XYXPZPWCWYQTQR-CHWSQXEVSA-N 0 0 306.406 3.026 20 10 DGCDRN CC(C)Oc1cccc([C@H](C)NC(=O)c2cccc(O)c2O)c1 ZINC000186944282 660598057 /nfs/dbraw/zinc/59/80/57/660598057.db2.gz JOGNAQMJYJGNFM-LBPRGKRZSA-N 0 0 315.369 3.376 20 10 DGCDRN CC(C)(O)CC[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708100787 660918036 /nfs/dbraw/zinc/91/80/36/660918036.db2.gz VTRQCEGCLSJKTB-UHFFFAOYSA-N 0 0 322.630 3.059 20 10 DGCDRN C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Br)c2[O-])CO1 ZINC000708114985 660918059 /nfs/dbraw/zinc/91/80/59/660918059.db2.gz QQQHOMVCAZQMGD-OIBJUYFYSA-N 0 0 320.614 3.075 20 10 DGCDRN CO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708135156 660918523 /nfs/dbraw/zinc/91/85/23/660918523.db2.gz WRCOXPLFRYXPLO-SNVBAGLBSA-N 0 0 320.614 3.029 20 10 DGCDRN CCC[C@H]1CN(Cc2c(O)cccc2Br)CCO1 ZINC000709023216 660923476 /nfs/dbraw/zinc/92/34/76/660923476.db2.gz ZLVRQTHLBQXHHJ-NSHDSACASA-N 0 0 314.223 3.156 20 10 DGCDRN O=C(COC1CCCCC1)NCCCSc1nccs1 ZINC000074136386 660946321 /nfs/dbraw/zinc/94/63/21/660946321.db2.gz BFSJUKJLCLIMFU-UHFFFAOYSA-N 0 0 314.476 3.091 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c(O)c1 ZINC000792780443 660984448 /nfs/dbraw/zinc/98/44/48/660984448.db2.gz PUHPJCMIOVMFRF-SLEUVZQESA-N 0 0 306.406 3.025 20 10 DGCDRN COc1ccc(CNC(=O)NCCCC2CCCC2)c(O)c1 ZINC000792789371 660984807 /nfs/dbraw/zinc/98/48/07/660984807.db2.gz YZXHTENDLQEPOC-UHFFFAOYSA-N 0 0 306.406 3.170 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N(C)[C@@H]2CCC(C)(C)C2)cc1 ZINC000792793124 660985262 /nfs/dbraw/zinc/98/52/62/660985262.db2.gz PINUQPUMCUTRFE-MRXNPFEDSA-N 0 0 303.450 3.473 20 10 DGCDRN CCN(Cc1ccc(S(C)(=O)=O)cc1)c1ccc(OC)cc1 ZINC000792869086 660989772 /nfs/dbraw/zinc/98/97/72/660989772.db2.gz AEZGDRFRBQRDCL-UHFFFAOYSA-N 0 0 319.426 3.125 20 10 DGCDRN COc1ccc(CNC(=O)NC[C@H]2CCC[C@H](C)C2)c(O)c1 ZINC000792903725 660992599 /nfs/dbraw/zinc/99/25/99/660992599.db2.gz KWMYDKYGPLIPLQ-STQMWFEESA-N 0 0 306.406 3.026 20 10 DGCDRN COc1ccc(CNC(=O)NCC[C@@H]2CCC[C@@H](C)C2)c(O)c1 ZINC000792944715 660996188 /nfs/dbraw/zinc/99/61/88/660996188.db2.gz DNFYCULPTLBORV-KGLIPLIRSA-N 0 0 320.433 3.416 20 10 DGCDRN COc1ccc(CNC(=O)N[C@H]2CCC(C)(C)C[C@@H]2C)c(O)c1 ZINC000792977437 660998159 /nfs/dbraw/zinc/99/81/59/660998159.db2.gz WHNDZKNXMKTGLI-WFASDCNBSA-N 0 0 320.433 3.415 20 10 DGCDRN COc1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2C(C)C)c(O)c1 ZINC000792981577 660998512 /nfs/dbraw/zinc/99/85/12/660998512.db2.gz XPPZLQPUJBIFNZ-CVEARBPZSA-N 0 0 320.433 3.415 20 10 DGCDRN COCCC1(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC000793166240 661009034 /nfs/dbraw/zinc/00/90/34/661009034.db2.gz FWUZTMSERXBAJZ-AWEZNQCLSA-N 0 0 319.449 3.072 20 10 DGCDRN Cc1ccc(O)c(CNc2cccc(N3C(=O)CCCC3=O)c2)c1 ZINC000793259656 661018930 /nfs/dbraw/zinc/01/89/30/661018930.db2.gz MUHSJWVEWCGABT-UHFFFAOYSA-N 0 0 324.380 3.356 20 10 DGCDRN COCCC1([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCC1 ZINC000793329654 661025183 /nfs/dbraw/zinc/02/51/83/661025183.db2.gz QWNAEKPIDYZGOG-UHFFFAOYSA-N 0 0 314.769 3.003 20 10 DGCDRN O=C(NCCCSc1nccs1)[C@@H]1Cc2ccc(F)cc21 ZINC000793496950 661038572 /nfs/dbraw/zinc/03/85/72/661038572.db2.gz QPHJMUNFPIANPK-CYBMUJFWSA-N 0 0 322.430 3.221 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1ccc2n[nH]cc2c1 ZINC000793654220 661051876 /nfs/dbraw/zinc/05/18/76/661051876.db2.gz AHEDLMSPAOQNEC-UHFFFAOYSA-N 0 0 323.396 3.250 20 10 DGCDRN C[C@H](NC(=O)[C@@H]1Cc2ccc(F)cc21)c1ccc(N(C)C)cc1 ZINC000793857222 661060897 /nfs/dbraw/zinc/06/08/97/661060897.db2.gz TXCBJVODGULNPB-KPZWWZAWSA-N 0 0 312.388 3.409 20 10 DGCDRN C[C@@H](NC(=O)Cc1ccc2c[nH]nc2c1)c1ccc(N(C)C)cc1 ZINC000793857314 661060936 /nfs/dbraw/zinc/06/09/36/661060936.db2.gz UPFDNEZENOLUBB-CYBMUJFWSA-N 0 0 322.412 3.049 20 10 DGCDRN CON(C[C@@H]1CCC[C@H](C)C1)C(=O)c1ccc(C)c(O)c1O ZINC000794326124 661078756 /nfs/dbraw/zinc/07/87/56/661078756.db2.gz FYTUPRWDIYSACZ-WCQYABFASA-N 0 0 307.390 3.236 20 10 DGCDRN COc1ccc(CNC(=O)c2sccc2C2CC2)c(O)c1 ZINC000794377928 661081923 /nfs/dbraw/zinc/08/19/23/661081923.db2.gz RILWMAGVRWCIQC-UHFFFAOYSA-N 0 0 303.383 3.270 20 10 DGCDRN COc1ccc(CNC(=O)C[C@@H](C)c2ccccc2F)c(O)c1 ZINC000794379804 661081951 /nfs/dbraw/zinc/08/19/51/661081951.db2.gz WRRNVDWAFYFRAP-GFCCVEGCSA-N 0 0 317.360 3.350 20 10 DGCDRN COc1ccc(CNC(=O)CCCSC(C)(C)C)c(O)c1 ZINC000794377834 661081964 /nfs/dbraw/zinc/08/19/64/661081964.db2.gz LAUPGTCYRMZPLK-UHFFFAOYSA-N 0 0 311.447 3.329 20 10 DGCDRN COc1ccc(CNC(=O)[C@@H](C)Cc2cccc(F)c2)c(O)c1 ZINC000794382746 661082151 /nfs/dbraw/zinc/08/21/51/661082151.db2.gz GMRPTIVVVMFWAQ-LBPRGKRZSA-N 0 0 317.360 3.035 20 10 DGCDRN COc1ccc(CNC(=O)[C@H](c2ccccc2)C2CC2)c(O)c1 ZINC000794386772 661082208 /nfs/dbraw/zinc/08/22/08/661082208.db2.gz ADHMSWUNFLIPKF-GOSISDBHSA-N 0 0 311.381 3.211 20 10 DGCDRN CCCCCNC(=O)NCc1cc(Br)ccc1O ZINC000794804828 661106078 /nfs/dbraw/zinc/10/60/78/661106078.db2.gz QTCDKGTXSXXEOG-UHFFFAOYSA-N 0 0 315.211 3.144 20 10 DGCDRN COc1ccc(CNc2cnc3cc(F)c(F)cc3n2)c(O)c1 ZINC000795292131 661138737 /nfs/dbraw/zinc/13/87/37/661138737.db2.gz OFVFANHEQPQPEC-UHFFFAOYSA-N 0 0 317.295 3.234 20 10 DGCDRN COc1ccc(CNc2ncc(C(F)(F)F)s2)c(O)c1 ZINC000795289944 661138802 /nfs/dbraw/zinc/13/88/02/661138802.db2.gz NKRXOGGTYKJOIS-UHFFFAOYSA-N 0 0 304.293 3.488 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)OCCC[C@@H](C)O)cc1 ZINC000795388770 661145427 /nfs/dbraw/zinc/14/54/27/661145427.db2.gz YLSSFYCXWORDNM-OAHLLOKOSA-N 0 0 301.386 3.412 20 10 DGCDRN O=C(Nc1cccc(N2CCCC2)c1)c1ccc2nccnc2c1 ZINC000120578495 655559678 /nfs/dbraw/zinc/55/96/78/655559678.db2.gz WHGXKINIBIZWCC-UHFFFAOYSA-N 0 0 318.380 3.482 20 10 DGCDRN Cc1cncc(/C=C\C(=O)N2C[C@H](C)Oc3cc(F)ccc32)c1 ZINC000255073061 655591744 /nfs/dbraw/zinc/59/17/44/655591744.db2.gz NKQIQHSHUUVRQS-RJNRQISESA-N 0 0 312.344 3.356 20 10 DGCDRN Oc1cc2c(cc1CN1CCOC[C@H]1CC(F)F)CCCC2 ZINC000795731636 661170373 /nfs/dbraw/zinc/17/03/73/661170373.db2.gz SVESOPIVGHRVNE-OAHLLOKOSA-N 0 0 311.372 3.127 20 10 DGCDRN COc1ccc(O)c(CNC(=O)CCCSC(C)(C)C)c1 ZINC000160730528 655673457 /nfs/dbraw/zinc/67/34/57/655673457.db2.gz JMHRGKZEJVPLMD-UHFFFAOYSA-N 0 0 311.447 3.329 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)N2CCSCC2)cc1 ZINC000795783018 661172239 /nfs/dbraw/zinc/17/22/39/661172239.db2.gz DUJPIVZVTDIIQZ-UHFFFAOYSA-N 0 0 321.490 3.133 20 10 DGCDRN C[C@@H]1CN(C)c2ccccc2N(C(=O)/C=C\c2cccnc2)C1 ZINC000255290993 655687260 /nfs/dbraw/zinc/68/72/60/655687260.db2.gz ZLIZWKQDPIMNHL-FJVVXJACSA-N 0 0 307.397 3.214 20 10 DGCDRN Cc1ncc(/C=C\C(=O)N2CCN(C)c3ccc(F)cc32)s1 ZINC000255366189 655709304 /nfs/dbraw/zinc/70/93/04/655709304.db2.gz HAVAUWASSNMWGC-XQRVVYSFSA-N 0 0 317.389 3.087 20 10 DGCDRN COc1ccc(SCC(=O)N(C)Cc2ccccc2O)cc1 ZINC000077258308 655709675 /nfs/dbraw/zinc/70/96/75/655709675.db2.gz RRPZOTFMXKDRMJ-UHFFFAOYSA-N 0 0 317.410 3.152 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCC2(C(C)C)CC2)c1 ZINC000176032216 655715849 /nfs/dbraw/zinc/71/58/49/655715849.db2.gz JFJGNSYMLSQLMB-LBPRGKRZSA-N 0 0 306.406 3.197 20 10 DGCDRN Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)/C=C\c1cncc(F)c1 ZINC000255382348 655723275 /nfs/dbraw/zinc/72/32/75/655723275.db2.gz YCMDNZMEDUQGCJ-AGLBCWCQSA-N 0 0 312.344 3.356 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@@](C)(C1CC1)C(F)(F)F ZINC000933595641 655724286 /nfs/dbraw/zinc/72/42/86/655724286.db2.gz TZFBBSYQCHOQDN-AWEZNQCLSA-N 0 0 316.323 3.265 20 10 DGCDRN CN(C)c1ccc(CN2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000092975014 655739477 /nfs/dbraw/zinc/73/94/77/655739477.db2.gz DDDDEVUYBNDTLC-IBGZPJMESA-N 0 0 314.404 3.465 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)Cc2cccnc2)c1[O-] ZINC000934236389 655758410 /nfs/dbraw/zinc/75/84/10/655758410.db2.gz OOKASSZCYJIQLZ-NSHDSACASA-N 0 0 318.804 3.364 20 10 DGCDRN CCCCCC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000065560683 655784637 /nfs/dbraw/zinc/78/46/37/655784637.db2.gz LQBFKABCKKBRBQ-OAHLLOKOSA-N 0 0 304.434 3.281 20 10 DGCDRN CCCCN(Cc1cc2c(cc1O)OCO2)CC(F)(F)F ZINC000077441494 655809725 /nfs/dbraw/zinc/80/97/25/655809725.db2.gz BSHVFNFUODRMEC-UHFFFAOYSA-N 0 0 305.296 3.285 20 10 DGCDRN Cc1ccc(OC(F)F)c(C=C2SC(=S)NC2=O)c1 ZINC000176902246 655863278 /nfs/dbraw/zinc/86/32/78/655863278.db2.gz RRXFEGMOYAYELL-WEVVVXLNSA-N 0 0 301.339 3.085 20 10 DGCDRN COC(=O)c1oc(CN(C)c2ccc(OC)c(F)c2)cc1C ZINC000177069820 655893923 /nfs/dbraw/zinc/89/39/23/655893923.db2.gz AWHQKNMQBVBIHM-UHFFFAOYSA-N 0 0 307.321 3.159 20 10 DGCDRN Cc1ccc(C[C@@H](C)NC(=O)c2ccc(C)c(O)c2O)s1 ZINC000179510010 655906236 /nfs/dbraw/zinc/90/62/36/655906236.db2.gz GLEGLLXZDBYIHP-SNVBAGLBSA-N 0 0 305.399 3.137 20 10 DGCDRN C[C@H]1CCCC[C@H]1NC(=O)COc1ccc(N2CCCC2)cc1 ZINC000178196498 655960121 /nfs/dbraw/zinc/96/01/21/655960121.db2.gz SWHMMVNUPHVHHQ-MAUKXSAKSA-N 0 0 316.445 3.361 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2c(F)ccc(F)c2F)cc1 ZINC000163643433 655970477 /nfs/dbraw/zinc/97/04/77/655970477.db2.gz DGPYBZPWWNUWRW-UHFFFAOYSA-N 0 0 308.303 3.100 20 10 DGCDRN COC1(CC[NH2+]Cc2cccc(Br)c2[O-])CCC1 ZINC000311107851 655971831 /nfs/dbraw/zinc/97/18/31/655971831.db2.gz VVUODAWRVDDVFP-UHFFFAOYSA-N 0 0 314.223 3.204 20 10 DGCDRN Nc1ccc(CC(=O)Nc2cccc(N3CCCCC3)c2)cc1 ZINC000165874033 655992131 /nfs/dbraw/zinc/99/21/31/655992131.db2.gz TVZMQYIUZBNFTL-UHFFFAOYSA-N 0 0 309.413 3.440 20 10 DGCDRN CC(C)OCCC[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715746267 661214274 /nfs/dbraw/zinc/21/42/74/661214274.db2.gz SVGFVAFDPQMGLO-UHFFFAOYSA-N 0 0 320.202 3.199 20 10 DGCDRN CCn1ccc(NCc2cc(Br)cc(F)c2O)n1 ZINC000715814881 661214928 /nfs/dbraw/zinc/21/49/28/661214928.db2.gz TWJFOESOFFJTKV-UHFFFAOYSA-N 0 0 314.158 3.122 20 10 DGCDRN Nc1ccc(NC(=O)NC2CC(OCc3ccccc3)C2)cc1 ZINC000716304175 661221494 /nfs/dbraw/zinc/22/14/94/661221494.db2.gz AHZPFWJXYKBYKR-UHFFFAOYSA-N 0 0 311.385 3.138 20 10 DGCDRN CO[C@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000179749487 656087434 /nfs/dbraw/zinc/08/74/34/656087434.db2.gz STKGHUWMGOQUKX-ZDUSSCGKSA-N 0 0 314.223 3.074 20 10 DGCDRN Cc1ccc([C@H](C)CNC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000181108211 656097358 /nfs/dbraw/zinc/09/73/58/656097358.db2.gz MUKGVNBFQXGAJI-OAUONFCTSA-N 0 0 311.381 3.339 20 10 DGCDRN CN(C(=O)CSc1ccc(F)c(F)c1)c1ccc(N)cc1 ZINC000037285876 661224573 /nfs/dbraw/zinc/22/45/73/661224573.db2.gz UPQMZYFJUDLIJM-UHFFFAOYSA-N 0 0 308.353 3.302 20 10 DGCDRN COC(=O)COc1ccc(N(C)Cc2ccc(C)s2)cc1 ZINC000183228323 656111152 /nfs/dbraw/zinc/11/11/52/656111152.db2.gz TXHPIUZBCDKHLE-UHFFFAOYSA-N 0 0 305.399 3.245 20 10 DGCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1nncs1 ZINC000930755186 656134200 /nfs/dbraw/zinc/13/42/00/656134200.db2.gz YQVNJFLFGIBADS-ZDUSSCGKSA-N 0 0 303.431 3.382 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(C#N)c(O)c1 ZINC000188412273 656146032 /nfs/dbraw/zinc/14/60/32/656146032.db2.gz IKSIPSCVGWVVAD-UHFFFAOYSA-N 0 0 310.353 3.022 20 10 DGCDRN CN(CC(=O)NCC1CC1)c1ccc(OCc2ccccc2)cc1 ZINC000189643733 656156338 /nfs/dbraw/zinc/15/63/38/656156338.db2.gz AOFZQWZXROZMQC-UHFFFAOYSA-N 0 0 324.424 3.228 20 10 DGCDRN Cc1c(C(=O)NCCCSc2nccs2)cnn1C(C)C ZINC000092449856 656156428 /nfs/dbraw/zinc/15/64/28/656156428.db2.gz FPMTVKZFGJXYLV-UHFFFAOYSA-N 0 0 324.475 3.141 20 10 DGCDRN CC(C)Oc1ccc(N(C)CC(=O)N2CCCC[C@@H]2C)cc1 ZINC000191586835 656170733 /nfs/dbraw/zinc/17/07/33/656170733.db2.gz OJHNYWHPTRKLBJ-HNNXBMFYSA-N 0 0 304.434 3.311 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CNc1ccccc1 ZINC000319310661 656172083 /nfs/dbraw/zinc/17/20/83/656172083.db2.gz XPNMVIMIJFRRQD-UHFFFAOYSA-N 0 0 311.429 3.213 20 10 DGCDRN C[C@H](NC(=O)[C@H]1CC12CCSCC2)c1ccc(N(C)C)cc1 ZINC000828862751 661232966 /nfs/dbraw/zinc/23/29/66/661232966.db2.gz YGPZPVFSAMWYNW-XJKSGUPXSA-N 0 0 318.486 3.463 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2cccc(Cl)c2C)c1 ZINC000194775649 656204573 /nfs/dbraw/zinc/20/45/73/656204573.db2.gz WOTYMSOAKYFFIE-UHFFFAOYSA-N 0 0 305.761 3.293 20 10 DGCDRN Cc1c(Cl)cccc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000194773566 656204673 /nfs/dbraw/zinc/20/46/73/656204673.db2.gz GPKWQXPVZZNLPN-UHFFFAOYSA-N 0 0 305.761 3.032 20 10 DGCDRN COCc1ccc(NC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000194796892 656204937 /nfs/dbraw/zinc/20/49/37/656204937.db2.gz AZRSSJHCCTXEID-UHFFFAOYSA-N 0 0 313.401 3.221 20 10 DGCDRN COCC(=O)Nc1ccc(N[C@@H](C)c2cc(C)ccc2O)cc1 ZINC000319563361 656205543 /nfs/dbraw/zinc/20/55/43/656205543.db2.gz GEHVKTWSVFHAKU-ZDUSSCGKSA-N 0 0 314.385 3.459 20 10 DGCDRN CCOC(=O)[C@@H](C)OC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000725919210 656226359 /nfs/dbraw/zinc/22/63/59/656226359.db2.gz QKRHKJNZWGNLBW-CQSZACIVSA-N 0 0 315.369 3.203 20 10 DGCDRN COc1ccc2c(ccn2CC(=O)N(C)Cc2ccccc2O)c1 ZINC000053916334 656454325 /nfs/dbraw/zinc/45/43/25/656454325.db2.gz SVBKZTDILYATKS-UHFFFAOYSA-N 0 0 324.380 3.014 20 10 DGCDRN COc1ccc(O)c([C@@H](C)Nc2cccc(CCCO)c2)c1 ZINC000317064747 656556570 /nfs/dbraw/zinc/55/65/70/656556570.db2.gz FPUCPWLRQWUFBC-CYBMUJFWSA-N 0 0 301.386 3.499 20 10 DGCDRN CCN1C(=O)/C(=C\c2cc(OC)c(OC)cc2C)SC1=S ZINC000006178281 656664693 /nfs/dbraw/zinc/66/46/93/656664693.db2.gz BJAXERUCTBSFNR-MDWZMJQESA-N 0 0 323.439 3.233 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1ccccn1 ZINC000054125741 656863803 /nfs/dbraw/zinc/86/38/03/656863803.db2.gz HTMIBXAPFLGGAG-UHFFFAOYSA-N 0 0 311.410 3.481 20 10 DGCDRN Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000078005208 657079347 /nfs/dbraw/zinc/07/93/47/657079347.db2.gz AQQZCJYHCUZDNA-UHFFFAOYSA-N 0 0 303.792 3.216 20 10 DGCDRN CCc1c(C(=O)Nc2ccc(N)cc2)cnn1Cc1ccccc1 ZINC000237113931 657095515 /nfs/dbraw/zinc/09/55/15/657095515.db2.gz NAHYVJMUNOLAPY-UHFFFAOYSA-N 0 0 320.396 3.328 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cnc(C(C)(C)C)s2)cc1 ZINC000126657289 657295533 /nfs/dbraw/zinc/29/55/33/657295533.db2.gz AAYCGPXNDHHYRT-UHFFFAOYSA-N 0 0 317.458 3.437 20 10 DGCDRN CCC(CC)CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000303183521 657519657 /nfs/dbraw/zinc/51/96/57/657519657.db2.gz DIIJMBOAGDOXHI-UHFFFAOYSA-N 0 0 303.450 3.304 20 10 DGCDRN CC[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CC[C@H]1[NH3+] ZINC000251847916 657543149 /nfs/dbraw/zinc/54/31/49/657543149.db2.gz RMBLKQAFSIOOPO-TVQRCGJNSA-N 0 0 303.233 3.258 20 10 DGCDRN Cc1cc(C)cc(NC(=S)NN=c2nc(C)cc(C)[nH]2)c1 ZINC000007521998 657582226 /nfs/dbraw/zinc/58/22/26/657582226.db2.gz YCSYCPPBIBYHHH-UHFFFAOYSA-N 0 0 301.419 3.024 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2CCOC2)c(C)n1-c1cccc(Cl)c1 ZINC000179215829 658384589 /nfs/dbraw/zinc/38/45/89/658384589.db2.gz FOHOEYIAUHUHAW-CQSZACIVSA-N 0 0 318.804 3.266 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Cc2cccc(Cl)c2)cc1F ZINC000067821834 658778412 /nfs/dbraw/zinc/77/84/12/658778412.db2.gz UYPSBUNSVCAQDM-UHFFFAOYSA-N 0 0 320.795 3.404 20 10 DGCDRN COc1ccc([C@H]2Nc3ccc(Cl)cc3C(=O)N2C)c(O)c1 ZINC000054683034 658879987 /nfs/dbraw/zinc/87/99/87/658879987.db2.gz RRSMONZHNLBBGF-HNNXBMFYSA-N 0 0 318.760 3.251 20 10 DGCDRN Cc1cc(C)c(O)c(CN(C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000164567467 658938172 /nfs/dbraw/zinc/93/81/72/658938172.db2.gz FAWXZRGSHOWKBF-UHFFFAOYSA-N 0 0 319.426 3.049 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H](C)OC[C@H]2C)cc1 ZINC000045449240 658982990 /nfs/dbraw/zinc/98/29/90/658982990.db2.gz ZWCHIAWWUJMEGK-HZPDHXFCSA-N 0 0 312.413 3.344 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2ncoc2C)cc1 ZINC000157892128 659121893 /nfs/dbraw/zinc/12/18/93/659121893.db2.gz OOXMTFPCEXZCRS-UHFFFAOYSA-N 0 0 309.369 3.321 20 10 DGCDRN Cc1csc(=O)n1CCN(C)c1ccc(OC(C)C)cc1 ZINC000191581274 659125909 /nfs/dbraw/zinc/12/59/09/659125909.db2.gz ARZYRCKPYGZEDK-UHFFFAOYSA-N 0 0 306.431 3.142 20 10 DGCDRN COc1ccc2cc(C(=O)NCc3ccc(N(C)C)cc3)[nH]c2c1 ZINC000046728543 659145061 /nfs/dbraw/zinc/14/50/61/659145061.db2.gz DRMADBNZIJZUFI-UHFFFAOYSA-N 0 0 323.396 3.173 20 10 DGCDRN C[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1ccc(F)cc1[O-] ZINC000170788794 659238340 /nfs/dbraw/zinc/23/83/40/659238340.db2.gz CEAGYDRWXWTVPX-GFCCVEGCSA-N 0 0 317.360 3.196 20 10 DGCDRN CCN(C(=O)NCc1ccc(N2CCSCC2)cc1)C(C)C ZINC000171109646 659259514 /nfs/dbraw/zinc/25/95/14/659259514.db2.gz PMBXHRZHEHGSKF-UHFFFAOYSA-N 0 0 321.490 3.180 20 10 DGCDRN Cc1cc(CNC(=O)c2sccc2-n2c(C)ccc2C)on1 ZINC000061623199 659281955 /nfs/dbraw/zinc/28/19/55/659281955.db2.gz FEMWDBSBPVMDSQ-UHFFFAOYSA-N 0 0 315.398 3.382 20 10 DGCDRN CCn1cc(C(=O)NCc2cccc(OC)c2O)c2ccccc21 ZINC000171869414 659304643 /nfs/dbraw/zinc/30/46/43/659304643.db2.gz FDLLRXQFAJNRIS-UHFFFAOYSA-N 0 0 324.380 3.305 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)c3cccs3)C2)cc1 ZINC000062574853 659336964 /nfs/dbraw/zinc/33/69/64/659336964.db2.gz NWYWSINFPIHMQL-CYBMUJFWSA-N 0 0 316.426 3.013 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NC2C[C@H](C)C[C@@H](C)C2)c1 ZINC000172491294 659339850 /nfs/dbraw/zinc/33/98/50/659339850.db2.gz GIPBPNXWJCMCEB-VXGBXAGGSA-N 0 0 306.406 3.025 20 10 DGCDRN C[C@@H]1CCC[N@@H+]1Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000173523358 659391522 /nfs/dbraw/zinc/39/15/22/659391522.db2.gz HNEQSEMKHYJQLK-CYBMUJFWSA-N 0 0 311.381 3.313 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@@H](c2ccccc2)C(C)C)c1 ZINC000173580857 659393219 /nfs/dbraw/zinc/39/32/19/659393219.db2.gz CENMJYPAZXINRS-GOSISDBHSA-N 0 0 313.397 3.457 20 10 DGCDRN COc1ccc(N(C)Cc2noc(C(C)(C)C)n2)cc1OC ZINC000063617369 659400446 /nfs/dbraw/zinc/40/04/46/659400446.db2.gz FWCJQIUCQIGJOR-UHFFFAOYSA-N 0 0 305.378 3.021 20 10 DGCDRN CCc1nc(NC(=O)NCc2ccc(N(C)C)cc2)sc1C ZINC000174333316 659427848 /nfs/dbraw/zinc/42/78/48/659427848.db2.gz KHMLYGKATFOXSC-UHFFFAOYSA-N 0 0 318.446 3.402 20 10 DGCDRN O=[N+]([O-])c1ccc(NCc2ccc(N3CCOCC3)cc2)s1 ZINC000064029798 659436822 /nfs/dbraw/zinc/43/68/22/659436822.db2.gz GOIXMRCMPFIFFY-UHFFFAOYSA-N 0 0 319.386 3.105 20 10 DGCDRN COc1ccsc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000174516810 659437345 /nfs/dbraw/zinc/43/73/45/659437345.db2.gz JRMARPPQEDUIIM-UHFFFAOYSA-N 0 0 317.410 3.271 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)CSCC(F)(F)F)cc1 ZINC000090093507 659507198 /nfs/dbraw/zinc/50/71/98/659507198.db2.gz OEYBLUPGBQVBJK-UHFFFAOYSA-N 0 0 320.380 3.007 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1ccc(Cl)nc1 ZINC000175025940 659914888 /nfs/dbraw/zinc/91/48/88/659914888.db2.gz WZFXEZQAGLZVOY-UHFFFAOYSA-N 0 0 303.793 3.200 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1SCCc2ccccc21 ZINC000175504874 659922744 /nfs/dbraw/zinc/92/27/44/659922744.db2.gz AMNNJDMOGHHZLY-QGZVFWFLSA-N 0 0 313.422 3.381 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CC[C@@H]2CC[C@H](C)O2)cc1 ZINC000175529094 659924121 /nfs/dbraw/zinc/92/41/21/659924121.db2.gz AIOXMBSMLLRUGN-YJBOKZPZSA-N 0 0 318.461 3.497 20 10 DGCDRN Cc1c(C(=O)Nc2ccc(N)cc2)cnn1Cc1ccccc1 ZINC000237863878 659945931 /nfs/dbraw/zinc/94/59/31/659945931.db2.gz GAOVKEWFKQIODF-UHFFFAOYSA-N 0 0 306.369 3.074 20 10 DGCDRN Nc1ccc(CC(=O)Nc2cccc(OC(F)(F)F)c2)cc1 ZINC000238119845 659959047 /nfs/dbraw/zinc/95/90/47/659959047.db2.gz LRSFMOXROBFZAL-UHFFFAOYSA-N 0 0 310.275 3.349 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000180727484 659969096 /nfs/dbraw/zinc/96/90/96/659969096.db2.gz QFAZUAJTHBSENZ-KRXBUXKQSA-N 0 0 321.336 3.140 20 10 DGCDRN CC(Cl)(Cl)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000180738050 659969816 /nfs/dbraw/zinc/96/98/16/659969816.db2.gz YZBOSVQONYSUDE-UHFFFAOYSA-N 0 0 302.201 3.081 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC1(c2cccc(F)c2)CC1 ZINC000180803290 659971411 /nfs/dbraw/zinc/97/14/11/659971411.db2.gz POXJCSJPXDVVOP-FNORWQNLSA-N 0 0 313.328 3.056 20 10 DGCDRN CCOc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c(C)c1 ZINC000180956446 659975652 /nfs/dbraw/zinc/97/56/52/659975652.db2.gz VGHIBZBNDBWOAX-WEVVVXLNSA-N 0 0 313.353 3.457 20 10 DGCDRN CCc1ccc(CCNC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000181100516 659980377 /nfs/dbraw/zinc/98/03/77/659980377.db2.gz OCBBGKPHHHDLRH-CSKARUKUSA-N 0 0 311.381 3.032 20 10 DGCDRN CCOC(=O)Nc1ccc(NCc2ccccc2O)cc1C#N ZINC000181507199 660003945 /nfs/dbraw/zinc/00/39/45/660003945.db2.gz PTOVWHBYIIZWLF-UHFFFAOYSA-N 0 0 311.341 3.444 20 10 DGCDRN CCOc1ccc(NC(=O)c2ccc(C)c(O)c2O)c(C)c1 ZINC000182148485 660035514 /nfs/dbraw/zinc/03/55/14/660035514.db2.gz NINSYHJTGOZWKD-UHFFFAOYSA-N 0 0 301.342 3.366 20 10 DGCDRN COc1ccc(O)c([C@H](C)[NH2+]Cc2nc3ccccc3n2C)c1 ZINC000182355909 660045619 /nfs/dbraw/zinc/04/56/19/660045619.db2.gz NAKNMTSTHSCZPN-LBPRGKRZSA-N 0 0 311.385 3.138 20 10 DGCDRN Cc1ccc(C(=O)NC[C@@H](C)Cc2cccs2)c(O)c1O ZINC000182506263 660058599 /nfs/dbraw/zinc/05/85/99/660058599.db2.gz NCYKCCDQZPDEEI-JTQLQIEISA-N 0 0 305.399 3.076 20 10 DGCDRN CCC(CC)[C@H]1C[C@H](NC(=O)c2ccc(C)c(O)c2O)CCO1 ZINC000183003547 660097709 /nfs/dbraw/zinc/09/77/09/660097709.db2.gz PBULEZLURCYPBU-UKRRQHHQSA-N 0 0 321.417 3.120 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2ccccc2n1 ZINC000183425923 660110454 /nfs/dbraw/zinc/11/04/54/660110454.db2.gz VBJNPNIVQULCCH-LBPRGKRZSA-N 0 0 322.364 3.007 20 10 DGCDRN O=C(Nc1ccon1)N(Cc1ccco1)Cc1ccccc1O ZINC000183591289 660124408 /nfs/dbraw/zinc/12/44/08/660124408.db2.gz BZGSVKVUOPWBFC-UHFFFAOYSA-N 0 0 313.313 3.208 20 10 DGCDRN Cc1cc(N[C@@H](C)Cc2ccc(O)c(O)c2)ccc1[N+](=O)[O-] ZINC000183599806 660125619 /nfs/dbraw/zinc/12/56/19/660125619.db2.gz WYYBFANGJWOCFN-NSHDSACASA-N 0 0 302.330 3.358 20 10 DGCDRN C[C@H](Nc1ccn(CCc2ccncc2)n1)c1ccccc1O ZINC000183663499 660130258 /nfs/dbraw/zinc/13/02/58/660130258.db2.gz KKOABXAZAUQWJK-AWEZNQCLSA-N 0 0 308.385 3.400 20 10 DGCDRN CO[C@H](C)CCC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000183915173 660147376 /nfs/dbraw/zinc/14/73/76/660147376.db2.gz QNUVJKCYPVOMGT-CQSZACIVSA-N 0 0 317.385 3.329 20 10 DGCDRN Cc1ccc(NC(=O)NCc2ccc3c(c2)CCCN3C)nc1 ZINC000184244456 660159707 /nfs/dbraw/zinc/15/97/07/660159707.db2.gz WWMSSXYXGHKDBQ-UHFFFAOYSA-N 0 0 310.401 3.094 20 10 DGCDRN CCOC(=O)/C=C\CN(Cc1ccco1)Cc1ccccc1O ZINC000929969320 661354616 /nfs/dbraw/zinc/35/46/16/661354616.db2.gz LWFIEGZYFQOMDJ-YHYXMXQVSA-N 0 0 315.369 3.107 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cc2ncccc2o1 ZINC000930205268 661377653 /nfs/dbraw/zinc/37/76/53/661377653.db2.gz IUMHXWVUMLLAEI-UHFFFAOYSA-N 0 0 321.380 3.358 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)CCC3(C)CC3)CC2)cc1 ZINC000930310002 661387655 /nfs/dbraw/zinc/38/76/55/661387655.db2.gz QBCLIQHMQUJTLA-UHFFFAOYSA-N 0 0 316.445 3.314 20 10 DGCDRN CC(C)CCn1ccc(NC(=O)NCc2c(O)cccc2F)n1 ZINC000930414836 661396210 /nfs/dbraw/zinc/39/62/10/661396210.db2.gz OQUGEFMGDNXXDF-UHFFFAOYSA-N 0 0 320.368 3.096 20 10 DGCDRN COc1ccc(N(Cc2noc3c2COCC3)CC2CC2)cc1 ZINC000930642483 661418027 /nfs/dbraw/zinc/41/80/27/661418027.db2.gz OVOGZVSNSQEVEU-UHFFFAOYSA-N 0 0 314.385 3.173 20 10 DGCDRN CN(C[C@H]1CCC2(COC2)O1)c1ccc(-c2nccs2)cc1 ZINC000930710916 661423544 /nfs/dbraw/zinc/42/35/44/661423544.db2.gz WFESEFQRSAUUSK-OAHLLOKOSA-N 0 0 316.426 3.194 20 10 DGCDRN C[C@H](C1CC1)n1cc(NC(=O)NCc2c(O)cccc2F)cn1 ZINC000930975270 661442937 /nfs/dbraw/zinc/44/29/37/661442937.db2.gz HARBDDQQZCWCJY-SNVBAGLBSA-N 0 0 318.352 3.021 20 10 DGCDRN C[C@@H](C1CC1)n1cc(NC(=O)N2Cc3cccc(O)c3C2)cn1 ZINC000930977966 661443255 /nfs/dbraw/zinc/44/32/55/661443255.db2.gz NFPUBVXQIXEZJM-NSHDSACASA-N 0 0 312.373 3.107 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000931268860 661463219 /nfs/dbraw/zinc/46/32/19/661463219.db2.gz GLGTVTIMPRXPMS-BXLSQVKPSA-N 0 0 318.373 3.263 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CC2(CC)COC2)cc1F ZINC000932386640 661565198 /nfs/dbraw/zinc/56/51/98/661565198.db2.gz TYCDWEPEBWLJMO-UHFFFAOYSA-N 0 0 322.424 3.105 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000932943236 661611289 /nfs/dbraw/zinc/61/12/89/661611289.db2.gz JSVCQPATGHVCSY-ZWKOTPCHSA-N 0 0 316.445 3.025 20 10 DGCDRN CC[C@](C)(NC(=O)NCc1ccc(N(C)C)cc1)C(F)(F)F ZINC000933544002 661640238 /nfs/dbraw/zinc/64/02/38/661640238.db2.gz LCSYLZRRDQWURG-AWEZNQCLSA-N 0 0 317.355 3.283 20 10 DGCDRN c1cc(C[N@H+](Cc2ccc(N3CCOCC3)cc2)C2CC2)co1 ZINC000934004185 661672966 /nfs/dbraw/zinc/67/29/66/661672966.db2.gz OEIFIIVXIOCGNV-UHFFFAOYSA-N 0 0 312.413 3.281 20 10 DGCDRN CCc1nccc(C)c1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000934457833 661708009 /nfs/dbraw/zinc/70/80/09/661708009.db2.gz XKJRLUNQOREJJG-UHFFFAOYSA-N 0 0 312.417 3.340 20 10 DGCDRN CNC(=O)c1cccc(NCc2c(O)cccc2Cl)c1C ZINC000155422831 661846667 /nfs/dbraw/zinc/84/66/67/661846667.db2.gz TXNHDCPEEAKAJE-UHFFFAOYSA-N 0 0 304.777 3.326 20 10 DGCDRN C[N@@H+](Cc1cccc(Br)c1[O-])C[C@H]1CCCOC1 ZINC000156030013 661856799 /nfs/dbraw/zinc/85/67/99/661856799.db2.gz KYGAUPPDKCTSQZ-LLVKDONJSA-N 0 0 314.223 3.013 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1c(F)cc(F)cc1F ZINC000156151629 661859107 /nfs/dbraw/zinc/85/91/07/661859107.db2.gz WNHNEXJVFSCRMA-UHFFFAOYSA-N 0 0 322.330 3.408 20 10 DGCDRN C[C@H]1CCC[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000047036096 661871081 /nfs/dbraw/zinc/87/10/81/661871081.db2.gz JCXYGTZWFHFQAT-GOEBONIOSA-N 0 0 303.450 3.473 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccoc1 ZINC000047089352 661872008 /nfs/dbraw/zinc/87/20/08/661872008.db2.gz DKJOECAUIAXVIF-UHFFFAOYSA-N 0 0 301.390 3.077 20 10 DGCDRN CC[C@H](Sc1ccccc1)C(=O)NCc1ccc(O)c(O)c1 ZINC000158923717 661880395 /nfs/dbraw/zinc/88/03/95/661880395.db2.gz LDMXTEZXACIGPK-INIZCTEOSA-N 0 0 317.410 3.285 20 10 DGCDRN C[C@H](OC1CCCCCC1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000159013660 661881449 /nfs/dbraw/zinc/88/14/49/661881449.db2.gz GTQAIOZCSSUDFA-HNNXBMFYSA-N 0 0 318.461 3.497 20 10 DGCDRN C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1ccccn1 ZINC000047890544 661882922 /nfs/dbraw/zinc/88/29/22/661882922.db2.gz WWGZVRBMJWTEPT-HNNXBMFYSA-N 0 0 324.428 3.242 20 10 DGCDRN C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1cccc(O)c1O ZINC000188154321 661918508 /nfs/dbraw/zinc/91/85/08/661918508.db2.gz CIBUXQAOXMXLKX-VIFPVBQESA-N 0 0 307.296 3.209 20 10 DGCDRN COc1ccc(N2CCN(Cc3ccncc3Cl)CC2)cc1 ZINC000075594754 661937463 /nfs/dbraw/zinc/93/74/63/661937463.db2.gz OMRICTHRNSJTDK-UHFFFAOYSA-N 0 0 317.820 3.066 20 10 DGCDRN COc1cccc(CNC(=O)c2cc(C)nc3ccccc32)c1O ZINC000075650707 661940848 /nfs/dbraw/zinc/94/08/48/661940848.db2.gz HJKWGJBKIWTZIU-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN CCc1cc(O)ccc1NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000189425920 661978100 /nfs/dbraw/zinc/97/81/00/661978100.db2.gz GRCKRKYMKLPPNA-UHFFFAOYSA-N 0 0 313.325 3.034 20 10 DGCDRN CCc1cc(O)ccc1NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000189435050 661978378 /nfs/dbraw/zinc/97/83/78/661978378.db2.gz QFRGKENOGXTYDH-UHFFFAOYSA-N 0 0 313.325 3.034 20 10 DGCDRN CN(CCN1CCCC1=O)c1ccc(OCc2ccccc2)cc1 ZINC000189645814 661985749 /nfs/dbraw/zinc/98/57/49/661985749.db2.gz HQHOAHIPRDWQPC-UHFFFAOYSA-N 0 0 324.424 3.324 20 10 DGCDRN CCCN(Cc1nc([C@@H](C)OCC)no1)Cc1ccccc1O ZINC000076724899 661994895 /nfs/dbraw/zinc/99/48/95/661994895.db2.gz RMGXAWCLOSYCTO-CYBMUJFWSA-N 0 0 319.405 3.285 20 10 DGCDRN CCn1c(Sc2ncc([N+](=O)[O-])s2)nnc1-c1ccco1 ZINC000190310294 662027676 /nfs/dbraw/zinc/02/76/76/662027676.db2.gz NQIIAOBBPAEJTP-UHFFFAOYSA-N 0 0 323.359 3.074 20 10 DGCDRN CCN(C)c1ccc(CN(C)c2ccc(OC)c(F)c2)cn1 ZINC000191469690 662068083 /nfs/dbraw/zinc/06/80/83/662068083.db2.gz XUGSOAUMCMMRDV-UHFFFAOYSA-N 0 0 303.381 3.322 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(F)cc2)c1 ZINC000078493459 662071127 /nfs/dbraw/zinc/07/11/27/662071127.db2.gz AIFWWRMGNRPFCA-SNVBAGLBSA-N 0 0 304.321 3.423 20 10 DGCDRN CC(C)Oc1ccc(N(C)C[C@@H](O)COCc2ccco2)cc1 ZINC000191591815 662073415 /nfs/dbraw/zinc/07/34/15/662073415.db2.gz BQIIFQQIWWBRQE-MRXNPFEDSA-N 0 0 319.401 3.081 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2C[C@@H]3CCCC[C@H]3C2)cc1F ZINC000078917977 662089604 /nfs/dbraw/zinc/08/96/04/662089604.db2.gz ROCWWJRMRAPTMB-GJZGRUSLSA-N 0 0 319.424 3.223 20 10 DGCDRN COCc1ccc(NC(=O)N(C)Cc2ccccc2O)cc1 ZINC000192563585 662104642 /nfs/dbraw/zinc/10/46/42/662104642.db2.gz DAERHALZZSUGBI-UHFFFAOYSA-N 0 0 300.358 3.203 20 10 DGCDRN O=C1N=C(NC2CCCCC2)SC1=Cc1ccc(O)cc1 ZINC000192592337 662105630 /nfs/dbraw/zinc/10/56/30/662105630.db2.gz WVSOBMDCAFPBND-GXDHUFHOSA-N 0 0 302.399 3.285 20 10 DGCDRN C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)c2cccc(O)c2O)C1 ZINC000193104501 662123283 /nfs/dbraw/zinc/12/32/83/662123283.db2.gz IYSHBOGNHBHEHA-NHYWBVRUSA-N 0 0 315.344 3.460 20 10 DGCDRN C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2cccc(O)c2O)C1 ZINC000193104477 662123291 /nfs/dbraw/zinc/12/32/91/662123291.db2.gz IYSHBOGNHBHEHA-XHDPSFHLSA-N 0 0 315.344 3.460 20 10 DGCDRN O=C(NCc1cccs1)NCc1c(O)ccc2c1CCCC2 ZINC000080612748 662147930 /nfs/dbraw/zinc/14/79/30/662147930.db2.gz OOQGVRRJYHOUAP-UHFFFAOYSA-N 0 0 316.426 3.332 20 10 DGCDRN CCC(CC)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000194940740 662175919 /nfs/dbraw/zinc/17/59/19/662175919.db2.gz VNCMYVSWLIAPNX-MRXNPFEDSA-N 0 0 305.418 3.336 20 10 DGCDRN C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1cccnc1 ZINC000195208318 662180054 /nfs/dbraw/zinc/18/00/54/662180054.db2.gz MZTPRRKMEZULLR-AWEZNQCLSA-N 0 0 324.428 3.024 20 10 DGCDRN Cc1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1O ZINC000195554714 662191672 /nfs/dbraw/zinc/19/16/72/662191672.db2.gz WQDMEVVOBJEASB-UHFFFAOYSA-N 0 0 310.397 3.231 20 10 DGCDRN COC[C@@H](C)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000195698573 662192809 /nfs/dbraw/zinc/19/28/09/662192809.db2.gz YRBFJYGWXHZMPQ-ZDUSSCGKSA-N 0 0 300.402 3.106 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NCC(C)(C)CC(C)C)c1 ZINC000083724459 662196097 /nfs/dbraw/zinc/19/60/97/662196097.db2.gz VTPNGYMCAKLCFC-UHFFFAOYSA-N 0 0 308.422 3.272 20 10 DGCDRN CC(C)C[C@@H](C)OCCC(=O)NCc1ccc(N(C)C)cc1 ZINC000087004615 662222399 /nfs/dbraw/zinc/22/23/99/662222399.db2.gz QPKILACSYLJPFP-OAHLLOKOSA-N 0 0 306.450 3.210 20 10 DGCDRN C[C@@H](NCc1n[nH]cc1Br)c1ccc(N(C)C)cc1 ZINC000718141169 662232071 /nfs/dbraw/zinc/23/20/71/662232071.db2.gz KVNBSPSLJBSXNR-SNVBAGLBSA-N 0 0 323.238 3.089 20 10 DGCDRN O=C(/C=C/c1ccc(Cl)nc1)N1CCOc2cccc(F)c21 ZINC000090001007 662251644 /nfs/dbraw/zinc/25/16/44/662251644.db2.gz MODKNTDDSRACHQ-FNORWQNLSA-N 0 0 318.735 3.313 20 10 DGCDRN COc1ccc(N2CCC[N@H+](Cc3scnc3C)CC2)cc1 ZINC000092380839 662329975 /nfs/dbraw/zinc/32/99/75/662329975.db2.gz QSJYISRNTPFKMZ-UHFFFAOYSA-N 0 0 317.458 3.172 20 10 DGCDRN CCOc1ccc(O)c(C[N@H+](CCOC)Cc2ccc(C)o2)c1 ZINC000093707273 662359173 /nfs/dbraw/zinc/35/91/73/662359173.db2.gz CYTGHLYIYBPFHU-UHFFFAOYSA-N 0 0 319.401 3.341 20 10 DGCDRN COc1ccc(N(C)C[C@H](O)c2cccc(F)c2)cc1OC ZINC000140338065 685077887 /nfs/dbraw/zinc/07/78/87/685077887.db2.gz GPTGYMKKWUYAOS-HNNXBMFYSA-N 0 0 305.349 3.013 20 10 DGCDRN Cc1cccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000145466590 685086096 /nfs/dbraw/zinc/08/60/96/685086096.db2.gz SRWKUENCURXQCN-INIZCTEOSA-N 0 0 324.424 3.323 20 10 DGCDRN Cc1ncc(/C=C/C(=O)N2C[C@H](C)Oc3cc(F)ccc32)s1 ZINC000173514812 685104741 /nfs/dbraw/zinc/10/47/41/685104741.db2.gz TZLSYPDHNCXAKY-RWCYGVJQSA-N 0 0 318.373 3.418 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccc(-c2ccccc2)[nH]1 ZINC000179089458 685110468 /nfs/dbraw/zinc/11/04/68/685110468.db2.gz MFLSLIHMNNMSCX-UHFFFAOYSA-N 0 0 322.364 3.065 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CC[C@H](C(F)(F)F)C2)c1O ZINC000385827271 685174280 /nfs/dbraw/zinc/17/42/80/685174280.db2.gz ZFSADMWYKZUIIY-JTQLQIEISA-N 0 0 305.271 3.118 20 10 DGCDRN C[C@H](NCc1ccc(N2CCCCC2)cc1)c1csnn1 ZINC000398377677 685236353 /nfs/dbraw/zinc/23/63/53/685236353.db2.gz LXSXAOYAEGSIAD-ZDUSSCGKSA-N 0 0 302.447 3.379 20 10 DGCDRN CC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)C[C@H](CC)O1 ZINC000398443516 685237086 /nfs/dbraw/zinc/23/70/86/685237086.db2.gz PVVYLNYPHWBXCQ-GASCZTMLSA-N 0 0 309.381 3.123 20 10 DGCDRN CN(C(=O)c1cncnc1-c1ccccc1)c1ccc(N)cc1 ZINC001578392496 1191941496 /nfs/dbraw/zinc/94/14/96/1191941496.db2.gz CCOVSQKPBGXIAY-UHFFFAOYSA-N 0 0 304.353 3.002 20 10 DGCDRN COC(=O)C1(c2ccc(CN(C)c3ccc(N)cc3)cc2)CC1 ZINC001578782780 1191956400 /nfs/dbraw/zinc/95/64/00/1191956400.db2.gz HFXLDAJNRGTXJJ-UHFFFAOYSA-N 0 0 310.397 3.110 20 10 DGCDRN CSc1ccc(CNC(=O)NCCc2ccc(N)cc2)cc1 ZINC001579388450 1191975342 /nfs/dbraw/zinc/97/53/42/1191975342.db2.gz VRRDHASJNBIYFS-UHFFFAOYSA-N 0 0 315.442 3.033 20 10 DGCDRN Nc1ccc(CC(=O)Oc2cccc(Br)c2)cc1 ZINC001580443334 1192027056 /nfs/dbraw/zinc/02/70/56/1192027056.db2.gz YDGMZGSNXGKSQX-UHFFFAOYSA-N 0 0 306.159 3.179 20 10 DGCDRN Nc1ccc(CNC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)cc1 ZINC001580443619 1192027205 /nfs/dbraw/zinc/02/72/05/1192027205.db2.gz SWUIMDCYTUCILU-QWHCGFSZSA-N 0 0 320.314 3.106 20 10 DGCDRN Nc1ccc(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC001580446809 1192027266 /nfs/dbraw/zinc/02/72/66/1192027266.db2.gz HNKOQTFEZCZMTO-UHFFFAOYSA-N 0 0 312.251 3.203 20 10 DGCDRN Nc1ccc(CCNC(=O)c2c[nH]cc2Cc2ccccc2)cc1 ZINC001580443653 1192027299 /nfs/dbraw/zinc/02/72/99/1192027299.db2.gz VWCWRHHVQVONFC-UHFFFAOYSA-N 0 0 319.408 3.160 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cccc2c1CCN2 ZINC001580708411 1192038023 /nfs/dbraw/zinc/03/80/23/1192038023.db2.gz PQMOUGIDOBBTRM-UHFFFAOYSA-N 0 0 318.376 3.443 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1coc2cc(O)ccc12 ZINC001583821013 1192162102 /nfs/dbraw/zinc/16/21/02/1192162102.db2.gz QXMCAMDSYTVOTK-UHFFFAOYSA-N 0 0 317.728 3.427 20 10 DGCDRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001583966289 1192169926 /nfs/dbraw/zinc/16/99/26/1192169926.db2.gz JMOVFQFVOWTXSX-VNQPRFMTSA-N 0 0 319.445 3.465 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC001584094299 1192177779 /nfs/dbraw/zinc/17/77/79/1192177779.db2.gz FGOJOSHLMIJDNU-AUKGUFSJSA-N 0 0 314.473 3.400 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2csc(CC(C)C)n2)c1 ZINC001584983641 1192234544 /nfs/dbraw/zinc/23/45/44/1192234544.db2.gz OAAGUGORYWOLLD-UHFFFAOYSA-N 0 0 304.415 3.286 20 10 DGCDRN COc1cccc2c(C(=O)NCc3cc(C)ccc3O)coc21 ZINC001584983079 1192234813 /nfs/dbraw/zinc/23/48/13/1192234813.db2.gz BURMFIBGPRWTPT-UHFFFAOYSA-N 0 0 311.337 3.385 20 10 DGCDRN Cc1ccc(CCNC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001586119079 1192309609 /nfs/dbraw/zinc/30/96/09/1192309609.db2.gz PMZOSWZZURWYIL-UHFFFAOYSA-N 0 0 310.357 3.130 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@@H]2C[C@H]2C)ccc1C ZINC001586575445 1192336761 /nfs/dbraw/zinc/33/67/61/1192336761.db2.gz RVVZQUDOECHEBO-SJKOYZFVSA-N 0 0 310.397 3.353 20 10 DGCDRN CCC(=CC(=O)N(C)CCN(C)c1ccc(OC)cc1)CC ZINC001586649610 1192341077 /nfs/dbraw/zinc/34/10/77/1192341077.db2.gz PFIZLYIHVIJLNP-UHFFFAOYSA-N 0 0 304.434 3.336 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)CCCC(C)C)cc1 ZINC001586649653 1192341375 /nfs/dbraw/zinc/34/13/75/1192341375.db2.gz POPBDKAVHPLTKX-UHFFFAOYSA-N 0 0 306.450 3.416 20 10 DGCDRN C/C(=C/c1ccccn1)C(=O)Nc1c2nonc2ccc1Cl ZINC001586677227 1192343300 /nfs/dbraw/zinc/34/33/00/1192343300.db2.gz PJONRFGVVBYFNY-HJWRWDBZSA-N 0 0 314.732 3.313 20 10 DGCDRN C[C@H](NC(=O)Cc1coc(-c2ccccc2)n1)c1ccccc1O ZINC001587447043 1192399871 /nfs/dbraw/zinc/39/98/71/1192399871.db2.gz HYCPJIWYANEATE-ZDUSSCGKSA-N 0 0 322.364 3.467 20 10 DGCDRN Cc1cc(Cl)cc(C(=O)N[C@@H](C)c2ccccc2O)c1N ZINC001587451445 1192400889 /nfs/dbraw/zinc/40/08/89/1192400889.db2.gz VDPXOVCIPMOCLW-JTQLQIEISA-N 0 0 304.777 3.427 20 10 DGCDRN C[C@@H](NC(=O)c1cc(Br)co1)c1ccccc1O ZINC001587447532 1192400963 /nfs/dbraw/zinc/40/09/63/1192400963.db2.gz VVXJDOZBPULOFI-MRVPVSSYSA-N 0 0 310.147 3.239 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](CF)c1ccc(F)cc1 ZINC001587751759 1192416796 /nfs/dbraw/zinc/41/67/96/1192416796.db2.gz FWVJOUCZEWTDFJ-JPFFYJABSA-N 0 0 319.307 3.077 20 10 DGCDRN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1Cc2cccc(O)c2C1 ZINC001587929401 1192425490 /nfs/dbraw/zinc/42/54/90/1192425490.db2.gz ZOPGADLBKILJPL-UHFFFAOYSA-N 0 0 318.716 3.110 20 10 DGCDRN Cc1c[nH]c(NC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)n1 ZINC001588188588 1192438327 /nfs/dbraw/zinc/43/83/27/1192438327.db2.gz IZLFWYYNOWDEGB-UHFFFAOYSA-N 0 0 322.368 3.190 20 10 DGCDRN C[C@H](Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(N(C)C)cc1 ZINC001589983310 1192480879 /nfs/dbraw/zinc/48/08/79/1192480879.db2.gz VWNBDVVZKFFEBH-LBPRGKRZSA-N 0 0 308.389 3.106 20 10 DGCDRN CCN(Cc1ccc(C)c(-c2nn[nH]n2)c1)c1ccc(OC)cc1 ZINC001590719031 1192534406 /nfs/dbraw/zinc/53/44/06/1192534406.db2.gz DXZMZWNHAZIOOD-UHFFFAOYSA-N 0 0 323.400 3.210 20 10 DGCDRN Clc1ccc(CSc2nccs2)c(-c2nn[nH]n2)c1 ZINC001592531331 1192614846 /nfs/dbraw/zinc/61/48/46/1192614846.db2.gz FETHPGVVISOHGX-UHFFFAOYSA-N 0 0 309.807 3.269 20 10 DGCDRN CO[C@](C)(C[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC001620943194 1192638895 /nfs/dbraw/zinc/63/88/95/1192638895.db2.gz MPEUZXLMTQJPRJ-QGZVFWFLSA-N 0 0 307.340 3.322 20 10 DGCDRN COc1cccc(CNC(=O)c2c(C)cc(F)cc2C)c1O ZINC001595799723 1192670447 /nfs/dbraw/zinc/67/04/47/1192670447.db2.gz FZTVXAMJTPXAEQ-UHFFFAOYSA-N 0 0 303.333 3.087 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)Nc1cc(Cl)ccn1 ZINC001671270186 1176541484 /nfs/dbraw/zinc/54/14/84/1176541484.db2.gz XJFLKXYHQUUUFX-UHFFFAOYSA-N 0 0 312.156 3.416 20 10 DGCDRN C[C@@H](Oc1cccnc1)C(=O)NCc1c(O)ccc2ccccc21 ZINC001597736937 1192744644 /nfs/dbraw/zinc/74/46/44/1192744644.db2.gz PIGNZPDYTGBYNP-CYBMUJFWSA-N 0 0 322.364 3.024 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cc(F)ccc1O ZINC001597736939 1192744717 /nfs/dbraw/zinc/74/47/17/1192744717.db2.gz PIKGAQSFAAJPHP-UHFFFAOYSA-N 0 0 311.312 3.320 20 10 DGCDRN O=C(CNc1ccc(-c2ccno2)cc1)c1ccc(O)c(O)c1 ZINC001170314769 1177732851 /nfs/dbraw/zinc/73/28/51/1177732851.db2.gz HVFUWBHYAZYOFH-UHFFFAOYSA-N 0 0 310.309 3.048 20 10 DGCDRN Cc1ccc(CCCNC(=O)/C=C/c2ccc(O)c(O)c2)s1 ZINC001179687716 1177804690 /nfs/dbraw/zinc/80/46/90/1177804690.db2.gz UYGRQVYSHJWCRP-RMKNXTFCSA-N 0 0 317.410 3.230 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cc(O)cc(Cl)c1 ZINC001179687397 1177805011 /nfs/dbraw/zinc/80/50/11/1177805011.db2.gz LPTHUURBZGOYBJ-DUXPYHPUSA-N 0 0 305.717 3.109 20 10 DGCDRN CCn1ncc(C(=O)NCc2c(O)ccc3ccccc32)c1C ZINC001157050399 1178039756 /nfs/dbraw/zinc/03/97/56/1178039756.db2.gz GDMFDIKJYZUKLL-UHFFFAOYSA-N 0 0 309.369 3.000 20 10 DGCDRN Cc1cc(O)ccc1CC(=O)NCc1c(O)ccc2ccccc21 ZINC001157050692 1178040078 /nfs/dbraw/zinc/04/00/78/1178040078.db2.gz IJCDEUFUDIJPQX-UHFFFAOYSA-N 0 0 321.376 3.418 20 10 DGCDRN Cc1ccc(O)c(C[NH2+][C@@H](C)[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC001600464649 1192857800 /nfs/dbraw/zinc/85/78/00/1192857800.db2.gz HIGUMJXUHQMHIJ-YOEHRIQHSA-N 0 0 313.397 3.122 20 10 DGCDRN Cc1ccc(O)c(C[NH2+]Cc2ccnc3c(C(=O)[O-])cccc23)c1 ZINC001600464536 1192858273 /nfs/dbraw/zinc/85/82/73/1192858273.db2.gz FHCYOXDVSXHJNJ-UHFFFAOYSA-N 0 0 322.364 3.237 20 10 DGCDRN C[C@@H](NC(=O)CCCC(=O)OC(C)(C)C)c1ccccc1O ZINC001332381399 1178432056 /nfs/dbraw/zinc/43/20/56/1178432056.db2.gz NTSMDBUPALZOOR-GFCCVEGCSA-N 0 0 307.390 3.081 20 10 DGCDRN CCO[C@@H]1C[C@@H](NC(=O)N[C@@H](C)c2ccccc2O)C12CCC2 ZINC001332707446 1178477554 /nfs/dbraw/zinc/47/75/54/1178477554.db2.gz ARIMIEZGUOLXTC-APHBMKBZSA-N 0 0 318.417 3.100 20 10 DGCDRN C[C@H]1CO[C@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC001332723328 1178483516 /nfs/dbraw/zinc/48/35/16/1178483516.db2.gz GAFBWZVIZLRKDW-QAPCUYQASA-N 0 0 316.445 3.060 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(CCF)CC1 ZINC001332933627 1178525329 /nfs/dbraw/zinc/52/53/29/1178525329.db2.gz BXMVWLYNHGGQGQ-UHFFFAOYSA-N 0 0 321.440 3.342 20 10 DGCDRN CC1(CCC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC001332970670 1178531171 /nfs/dbraw/zinc/53/11/71/1178531171.db2.gz YPCZBDQRVHGRQA-UHFFFAOYSA-N 0 0 318.486 3.436 20 10 DGCDRN C[C@@H]1CCc2nc(CN3Cc4cccc(O)c4C3)sc2C1 ZINC001333368904 1178595842 /nfs/dbraw/zinc/59/58/42/1178595842.db2.gz OFUYRRQGAMFSHW-LLVKDONJSA-N 0 0 300.427 3.489 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1CCc2cc(N)ccc21)c1ccccc1O ZINC001334212071 1178736454 /nfs/dbraw/zinc/73/64/54/1178736454.db2.gz IMEOOQJMPBANML-MEDUHNTESA-N 0 0 311.385 3.022 20 10 DGCDRN O=C(Nc1cccc(N2CCCC2)c1)c1cccc2c1OCC2 ZINC001335225354 1178873980 /nfs/dbraw/zinc/87/39/80/1178873980.db2.gz YYMQZDJCOXGHON-UHFFFAOYSA-N 0 0 308.381 3.474 20 10 DGCDRN Cc1cc(C(=O)NCc2c(O)cccc2F)c(C)n1C1CC1 ZINC001335310826 1178890976 /nfs/dbraw/zinc/89/09/76/1178890976.db2.gz GHMRXEJHNGQTIY-UHFFFAOYSA-N 0 0 302.349 3.215 20 10 DGCDRN CC1(C(=O)NCc2ccc(N3CCSCC3)cc2)CC=CC1 ZINC001335396410 1178903939 /nfs/dbraw/zinc/90/39/39/1178903939.db2.gz FTILZAIAGVLEAJ-UHFFFAOYSA-N 0 0 316.470 3.212 20 10 DGCDRN COc1cccc(F)c1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC001336082910 1178991170 /nfs/dbraw/zinc/99/11/70/1178991170.db2.gz GKQWKIASYHDJPM-SNVBAGLBSA-N 0 0 320.320 3.299 20 10 DGCDRN Cc1cc2c(c(F)c1)C[C@H](C(=O)N[C@@H](C)c1ccccc1O)N2 ZINC001342404238 1179138035 /nfs/dbraw/zinc/13/80/35/1179138035.db2.gz FHWIRWIFIQFLNM-MEDUHNTESA-N 0 0 314.360 3.054 20 10 DGCDRN CC(C)Cn1c(N(C)Cc2ccccc2O)nnc1C(C)(F)F ZINC001344433246 1179433532 /nfs/dbraw/zinc/43/35/32/1179433532.db2.gz RFNLWYGSAHFFOC-UHFFFAOYSA-N 0 0 324.375 3.388 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCC=C(Cl)Cl)c1 ZINC001346572151 1179720531 /nfs/dbraw/zinc/72/05/31/1179720531.db2.gz DYCKJSAGGXMURP-MRVPVSSYSA-N 0 0 319.188 3.080 20 10 DGCDRN Nc1ccc(CNC(=O)N2CCC3(CCSCC3)CC2)cc1 ZINC001346739970 1179741172 /nfs/dbraw/zinc/74/11/72/1179741172.db2.gz WCSHKWJTJVDZML-UHFFFAOYSA-N 0 0 319.474 3.088 20 10 DGCDRN C[C@@H]1[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)C1(F)F ZINC001346873796 1179757999 /nfs/dbraw/zinc/75/79/99/1179757999.db2.gz JTIYWPCMHGHMIC-DOMZBBRYSA-N 0 0 308.372 3.194 20 10 DGCDRN Cc1cccnc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001349119579 1179874753 /nfs/dbraw/zinc/87/47/53/1179874753.db2.gz TUMSBBAXPNSDJJ-UHFFFAOYSA-N 0 0 309.413 3.262 20 10 DGCDRN CC[C@H](C)n1nccc1C(=O)Nc1c2nonc2ccc1Cl ZINC001349605904 1179920886 /nfs/dbraw/zinc/92/08/86/1179920886.db2.gz QXBOMADCNMGVJJ-QMMMGPOBSA-N 0 0 319.752 3.296 20 10 DGCDRN COC(=O)c1cnc(SC[C@@H](OC)C2CCCC2)s1 ZINC001350117340 1180019465 /nfs/dbraw/zinc/01/94/65/1180019465.db2.gz DPLOYHCCUULBKO-SNVBAGLBSA-N 0 0 301.433 3.227 20 10 DGCDRN CCn1cncc1COC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC001350335816 1180055082 /nfs/dbraw/zinc/05/50/82/1180055082.db2.gz ZGOGHBLRIFCPKR-UHFFFAOYSA-N 0 0 324.384 3.063 20 10 DGCDRN c1nc2c(ncnc2NCc2ccc(N3CCCC3)cc2)s1 ZINC001350432601 1180070771 /nfs/dbraw/zinc/07/07/71/1180070771.db2.gz FESNFDNGVGAJIG-UHFFFAOYSA-N 0 0 311.414 3.299 20 10 DGCDRN CC(C)[C@H]1CCCN(c2nnc(C3SC=CC3=O)n2C)C1 ZINC001350469554 1180075618 /nfs/dbraw/zinc/07/56/18/1180075618.db2.gz KZISXOMLJZHHHW-NSHDSACASA-N 0 0 306.435 3.122 20 10 DGCDRN COCC1(CC(=O)N(C)Cc2ccc(N3CCCC3)cc2)CC1 ZINC001351162795 1180181816 /nfs/dbraw/zinc/18/18/16/1180181816.db2.gz KRVHXYUZIHKJPQ-UHFFFAOYSA-N 0 0 316.445 3.062 20 10 DGCDRN C[C@@H]1C[C@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)[C@@H](C)O1 ZINC001351674692 1180236773 /nfs/dbraw/zinc/23/67/73/1180236773.db2.gz XNOKYHPUIBQGOS-RKVPGOIHSA-N 0 0 316.445 3.059 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@]12C[C@@H]1CCCC2 ZINC001352565411 1180362623 /nfs/dbraw/zinc/36/26/23/1180362623.db2.gz POXIGCPVZDXOKM-LPHOPBHVSA-N 0 0 311.429 3.195 20 10 DGCDRN COC[C@@H](C)[C@@H](C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001352616037 1180369541 /nfs/dbraw/zinc/36/95/41/1180369541.db2.gz WLSBHNUUIDOGRM-HZPDHXFCSA-N 0 0 318.461 3.164 20 10 DGCDRN CO[C@H](CC(C)C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001352615654 1180370097 /nfs/dbraw/zinc/37/00/97/1180370097.db2.gz RVTUAOVBJHQLBS-GOSISDBHSA-N 0 0 318.461 3.306 20 10 DGCDRN CC[C@@H]1CC[C@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)O1 ZINC001352614319 1180370197 /nfs/dbraw/zinc/37/01/97/1180370197.db2.gz AGNBSQMZRNAVER-QZTJIDSGSA-N 0 0 316.445 3.203 20 10 DGCDRN COC[C@H](C)[C@H](C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001352616036 1180370319 /nfs/dbraw/zinc/37/03/19/1180370319.db2.gz WLSBHNUUIDOGRM-HOTGVXAUSA-N 0 0 318.461 3.164 20 10 DGCDRN CCCCN(CCOC)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001353622070 1180608075 /nfs/dbraw/zinc/60/80/75/1180608075.db2.gz QQTKLAVFWQDBKR-UHFFFAOYSA-N 0 0 323.414 3.201 20 10 DGCDRN CNc1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1F ZINC001300395816 1180639158 /nfs/dbraw/zinc/63/91/58/1180639158.db2.gz DWPXWKGFWCFXFL-UHFFFAOYSA-N 0 0 308.740 3.156 20 10 DGCDRN CC[C@@H](C)NC(=S)NCc1cc(Cl)c2cccnc2c1O ZINC001200492140 1180679406 /nfs/dbraw/zinc/67/94/06/1180679406.db2.gz GXSWQXADOGCETQ-SECBINFHSA-N 0 0 323.849 3.356 20 10 DGCDRN CC[C@@H](C)NC(=S)NCc1ccc(N2CCCCC2)cc1 ZINC001200493711 1180681038 /nfs/dbraw/zinc/68/10/38/1180681038.db2.gz KAHROGXABATLHO-CQSZACIVSA-N 0 0 305.491 3.440 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CC[C@H]1CCOC1 ZINC001353912441 1180681822 /nfs/dbraw/zinc/68/18/22/1180681822.db2.gz ZPLHNJMVQFLFEJ-KRWDZBQOSA-N 0 0 316.445 3.062 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1C=CCC1 ZINC001300453498 1180686632 /nfs/dbraw/zinc/68/66/32/1180686632.db2.gz HBJKINKHLKSZIJ-MRXNPFEDSA-N 0 0 308.381 3.355 20 10 DGCDRN CC[C@H](F)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001354113815 1180723785 /nfs/dbraw/zinc/72/37/85/1180723785.db2.gz OKEMHOWVVZAKJQ-HNNXBMFYSA-N 0 0 311.312 3.149 20 10 DGCDRN C/C(=C\c1cccnc1)C(=O)N1CCN(C)c2ccc(F)cc21 ZINC001354709431 1180883893 /nfs/dbraw/zinc/88/38/93/1180883893.db2.gz OMYJWAPUFGWIRF-JLHYYAGUSA-N 0 0 311.360 3.107 20 10 DGCDRN CCOc1cccc(NCc2ccc(OC)c(OC)c2O)c1 ZINC001355225129 1181015538 /nfs/dbraw/zinc/01/55/38/1181015538.db2.gz AZYQDCWQUOWINU-UHFFFAOYSA-N 0 0 303.358 3.420 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1cc(C(=O)[O-])ccc1O ZINC001604357047 1193068977 /nfs/dbraw/zinc/06/89/77/1193068977.db2.gz GHJQLPIBJULTOR-VHSXEESVSA-N 0 0 304.321 3.036 20 10 DGCDRN COc1ccc2c(c1)c1c(n2CC(=O)NCC2CC2)CCCC1 ZINC001355600641 1181074843 /nfs/dbraw/zinc/07/48/43/1181074843.db2.gz ZBWHHWAUAZXDCY-UHFFFAOYSA-N 0 0 312.413 3.055 20 10 DGCDRN CC(C)[C@H]1OCCC[C@H]1C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001604336882 1193066310 /nfs/dbraw/zinc/06/63/10/1193066310.db2.gz BZVALEPQRXNSKY-RVSPLBMKSA-N 0 0 321.417 3.192 20 10 DGCDRN C/C(=C\c1cccnc1)C(=O)N(CC(F)(F)F)c1ccccn1 ZINC001356138497 1181146568 /nfs/dbraw/zinc/14/65/68/1181146568.db2.gz JRNVCNINJWSQJW-FMIVXFBMSA-N 0 0 321.302 3.475 20 10 DGCDRN Cc1c(Cl)ccc2c1N(C(=O)/C=C/c1cn(C)cn1)CCC2 ZINC001360832069 1181634202 /nfs/dbraw/zinc/63/42/02/1181634202.db2.gz MKKGJILXYQQSLS-SOFGYWHQSA-N 0 0 315.804 3.375 20 10 DGCDRN C/C(=C/C(=O)N1CCOc2cc(N(C)C)ccc21)c1ccco1 ZINC001361101852 1181647311 /nfs/dbraw/zinc/64/73/11/1181647311.db2.gz DRZBHQVCXAPHMJ-QBFSEMIESA-N 0 0 312.369 3.175 20 10 DGCDRN Cc1cc(CC(=O)OCc2cnccn2)c(C)n1-c1ccccc1 ZINC001435245170 1181799378 /nfs/dbraw/zinc/79/93/78/1181799378.db2.gz QTTIUEPWTRKOLC-UHFFFAOYSA-N 0 0 321.380 3.170 20 10 DGCDRN Cc1cccc(N(C)C(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC001444608969 1182124402 /nfs/dbraw/zinc/12/44/02/1182124402.db2.gz MQXRCLGWTIRBOX-UHFFFAOYSA-N 0 0 314.366 3.293 20 10 DGCDRN Cc1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2O)cc1Cl ZINC001445967059 1182159148 /nfs/dbraw/zinc/15/91/48/1182159148.db2.gz ANTIUIDCVOTANY-UHFFFAOYSA-N 0 0 320.732 3.192 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc2ccccc2c1 ZINC001447563158 1182191959 /nfs/dbraw/zinc/19/19/59/1182191959.db2.gz MGOLRGACYHXTEA-LBPRGKRZSA-N 0 0 322.364 3.007 20 10 DGCDRN Cc1cc(C(=O)NCc2ccc(O)cc2O)c2nccc(C)c2c1 ZINC001451765824 1182274861 /nfs/dbraw/zinc/27/48/61/1182274861.db2.gz HYZNSOBUEALHMD-UHFFFAOYSA-N 0 0 322.364 3.193 20 10 DGCDRN Cc1ccc(SCC(=O)NCc2cc(C)ccc2O)cc1 ZINC001453653502 1182321500 /nfs/dbraw/zinc/32/15/00/1182321500.db2.gz VSDJDTUSAFIELV-UHFFFAOYSA-N 0 0 301.411 3.418 20 10 DGCDRN Cc1cc(CNC(=O)[C@H](O)C(C)C)c(C)n1-c1cccc(C)c1 ZINC001454627825 1182348497 /nfs/dbraw/zinc/34/84/97/1182348497.db2.gz WSDOBIDFZHDADK-GOSISDBHSA-N 0 0 314.429 3.036 20 10 DGCDRN C[C@@H](NC(=O)c1cc(-c2cccs2)n[nH]1)c1ccccc1O ZINC001454805535 1182353907 /nfs/dbraw/zinc/35/39/07/1182353907.db2.gz LAVHBMAJCIMVGF-SNVBAGLBSA-N 0 0 313.382 3.335 20 10 DGCDRN O=C(c1sccc1Br)N1Cc2cccc(O)c2C1 ZINC001455037348 1182358642 /nfs/dbraw/zinc/35/86/42/1182358642.db2.gz PXMQMNIZVWCLGG-UHFFFAOYSA-N 0 0 324.199 3.372 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1c(Cl)cccc1[N+](=O)[O-] ZINC001456030259 1182394988 /nfs/dbraw/zinc/39/49/88/1182394988.db2.gz RWRUGOCCPCEFOX-UHFFFAOYSA-N 0 0 324.695 3.023 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1[nH]ccc1-c1ccccc1 ZINC001456319173 1182409524 /nfs/dbraw/zinc/40/95/24/1182409524.db2.gz QIHGJTHVDYUMLL-UHFFFAOYSA-N 0 0 308.337 3.023 20 10 DGCDRN O=C(c1c(F)ccc(O)c1O)N1CCC=C(c2ccccc2)C1 ZINC001457802081 1182482607 /nfs/dbraw/zinc/48/26/07/1182482607.db2.gz CYFODLKKHBCISL-UHFFFAOYSA-N 0 0 313.328 3.166 20 10 DGCDRN COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)CC2)cc1 ZINC001458044430 1182490840 /nfs/dbraw/zinc/49/08/40/1182490840.db2.gz OSXULOIQJMEMNU-IAGOWNOFSA-N 0 0 316.445 3.026 20 10 DGCDRN COc1cc(N(C)C[C@H]2CCC(C)(C)CO2)cc(OC)c1OC ZINC001459488427 1182590659 /nfs/dbraw/zinc/59/06/59/1182590659.db2.gz LOQNHNCNWDCLHA-CQSZACIVSA-N 0 0 323.433 3.354 20 10 DGCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@@H](O)CSC ZINC001460282103 1182671624 /nfs/dbraw/zinc/67/16/24/1182671624.db2.gz CQXIXAJBXDAJJV-HUUCEWRRSA-N 0 0 309.475 3.054 20 10 DGCDRN CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])c1 ZINC001461020486 1182757374 /nfs/dbraw/zinc/75/73/74/1182757374.db2.gz BUMDKWPNLBSOMK-JTQLQIEISA-N 0 0 320.339 3.480 20 10 DGCDRN CCOc1ccc(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC001461796102 1182856656 /nfs/dbraw/zinc/85/66/56/1182856656.db2.gz NCWDEXDNGBXERE-UHFFFAOYSA-N 0 0 316.357 3.031 20 10 DGCDRN COC(=O)c1cc(CN2CCc3cc(OC)ccc32)cs1 ZINC001461986366 1182889432 /nfs/dbraw/zinc/88/94/32/1182889432.db2.gz ALMVLZYIAIIBMU-UHFFFAOYSA-N 0 0 303.383 3.106 20 10 DGCDRN Nc1ncccc1CN1CCCc2cc(OC(F)F)ccc21 ZINC001462052867 1182902563 /nfs/dbraw/zinc/90/25/63/1182902563.db2.gz PFZQJEYUNBVCEY-UHFFFAOYSA-N 0 0 305.328 3.218 20 10 DGCDRN COc1cc(C)cc(CNc2ccc(-c3ncn(C)n3)cc2)c1O ZINC001462064364 1182903756 /nfs/dbraw/zinc/90/37/56/1182903756.db2.gz GTFYRYCMENJHNA-UHFFFAOYSA-N 0 0 324.384 3.117 20 10 DGCDRN CC(C)C[C@H](NCc1cc(F)c(F)cc1O)C(=O)OC(C)C ZINC001462122348 1182909890 /nfs/dbraw/zinc/90/98/90/1182909890.db2.gz CGLOCWVKDYHSNR-AWEZNQCLSA-N 0 0 315.360 3.126 20 10 DGCDRN CN(C)c1cc(F)c(C[NH2+]Cc2ccc(C(=O)[O-])cc2)cc1F ZINC001606049539 1193188573 /nfs/dbraw/zinc/18/85/73/1193188573.db2.gz ACAYCWOUFZPDEG-UHFFFAOYSA-N 0 0 320.339 3.019 20 10 DGCDRN Cc1cc(O)c(CN2CCOc3cc(O)ccc3C2)cc1Cl ZINC001462221704 1182925488 /nfs/dbraw/zinc/92/54/88/1182925488.db2.gz MVTARLABTIOZBR-UHFFFAOYSA-N 0 0 319.788 3.454 20 10 DGCDRN CC[C@@H]1CN(Cc2cc(F)c(N(C)C)cc2F)C[C@@H](CC)O1 ZINC001462358749 1182942658 /nfs/dbraw/zinc/94/26/58/1182942658.db2.gz XTBYTLNPLZGJBC-ZIAGYGMSSA-N 0 0 312.404 3.420 20 10 DGCDRN COC(=O)C[C@@](C)([NH2+]Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC001462520791 1182963673 /nfs/dbraw/zinc/96/36/73/1182963673.db2.gz SZFSEQOBMGLUOG-OAHLLOKOSA-N 0 0 315.772 3.006 20 10 DGCDRN CCCOc1ccc(CN[C@]2(C)CC(C)(C)OC2=O)cc1C ZINC001462575272 1182971180 /nfs/dbraw/zinc/97/11/80/1182971180.db2.gz ZISUIPDQGPFVFZ-GOSISDBHSA-N 0 0 305.418 3.358 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cccc(O)c1F ZINC001464076920 1183069298 /nfs/dbraw/zinc/06/92/98/1183069298.db2.gz UPIRZWFOVXCZAS-UHFFFAOYSA-N 0 0 314.360 3.062 20 10 DGCDRN Cc1ccc(CN(C(=O)Cc2ccc(O)c(O)c2)C(C)C)s1 ZINC001464420554 1183091606 /nfs/dbraw/zinc/09/16/06/1183091606.db2.gz MYRMFIFMSFZSBU-UHFFFAOYSA-N 0 0 319.426 3.447 20 10 DGCDRN CN(c1ccc(CNC(=O)[C@@H]2C[C@H]2F)cc1)C1CCCCC1 ZINC001464544267 1183098582 /nfs/dbraw/zinc/09/85/82/1183098582.db2.gz XIBPVAZTUURLPN-IAGOWNOFSA-N 0 0 304.409 3.430 20 10 DGCDRN Cc1cc(NC(=O)c2cccc(O)c2O)n(-c2ccc(C)cc2)n1 ZINC001464671127 1183106164 /nfs/dbraw/zinc/10/61/64/1183106164.db2.gz MZSAMAARAHGZEA-UHFFFAOYSA-N 0 0 323.352 3.153 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nc1c[nH]ccc1=O ZINC001464823984 1183115432 /nfs/dbraw/zinc/11/54/32/1183115432.db2.gz WURIFMKEOGEWOW-UHFFFAOYSA-N 0 0 321.380 3.343 20 10 DGCDRN Cc1cccc(COCC(=O)NCc2cccc(Cl)c2O)c1 ZINC001606867754 1193206532 /nfs/dbraw/zinc/20/65/32/1193206532.db2.gz CIZIAIHYMAFZNJ-UHFFFAOYSA-N 0 0 319.788 3.187 20 10 DGCDRN O=C(NCc1ccccc1O)c1ccsc1C(F)(F)F ZINC001465990513 1183180681 /nfs/dbraw/zinc/18/06/81/1183180681.db2.gz LYRZBRDGNUUKJW-UHFFFAOYSA-N 0 0 301.289 3.403 20 10 DGCDRN C[C@@H](NC(=O)Nc1ccc2c(cc[nH]c2=O)c1)c1ccccc1O ZINC001626193252 1193208204 /nfs/dbraw/zinc/20/82/04/1193208204.db2.gz BMDLXQJRZMKHHT-LLVKDONJSA-N 0 0 323.352 3.116 20 10 DGCDRN COc1ccc(CNC(=O)Nc2cncc(Cl)c2C)c(O)c1 ZINC001466721726 1183220914 /nfs/dbraw/zinc/22/09/14/1183220914.db2.gz GNMABAQYLFQCBZ-UHFFFAOYSA-N 0 0 321.764 3.079 20 10 DGCDRN CC[C@@H](NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C)[C@@H](C)O ZINC001467991483 1183301816 /nfs/dbraw/zinc/30/18/16/1183301816.db2.gz LTHSTNJXBQGWAX-CRAIPNDOSA-N 0 0 314.429 3.292 20 10 DGCDRN C[C@H](NC(=O)NCc1ccc(Cl)nc1)c1ccccc1O ZINC001468084980 1183309402 /nfs/dbraw/zinc/30/94/02/1183309402.db2.gz JCJCXZPPJUDZJT-JTQLQIEISA-N 0 0 305.765 3.001 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CCCC12CC2 ZINC001468744460 1183354572 /nfs/dbraw/zinc/35/45/72/1183354572.db2.gz SHVUQRUDDMJKQR-MRXNPFEDSA-N 0 0 315.461 3.441 20 10 DGCDRN O=C(NCc1c(O)cccc1F)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC001468787083 1183358633 /nfs/dbraw/zinc/35/86/33/1183358633.db2.gz OEYMOCJYFGYXRF-RWMBFGLXSA-N 0 0 306.381 3.299 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1cccc2c1CCCCC2 ZINC001469161112 1183387787 /nfs/dbraw/zinc/38/77/87/1183387787.db2.gz HHDXLVGXWJONSA-UHFFFAOYSA-N 0 0 311.381 3.297 20 10 DGCDRN COc1ccc(O)c([C@H](C)[NH2+]Cc2csc(C(=O)[O-])c2)c1 ZINC001607277049 1193221794 /nfs/dbraw/zinc/22/17/94/1193221794.db2.gz NEZCRCLCWJUFQU-VIFPVBQESA-N 0 0 307.371 3.011 20 10 DGCDRN COC1(C(=O)NCc2cc(Cl)ccc2O)CCCCCC1 ZINC001469877510 1183443537 /nfs/dbraw/zinc/44/35/37/1183443537.db2.gz PUTHGDAMFRSJRG-UHFFFAOYSA-N 0 0 311.809 3.401 20 10 DGCDRN CO[C@@H](C)CNC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001469921633 1183446994 /nfs/dbraw/zinc/44/69/94/1183446994.db2.gz NSZJQZMMPFIKGJ-HNNXBMFYSA-N 0 0 300.402 3.167 20 10 DGCDRN O=C(NC[C@H](O)c1cccc2ccccc21)C1=CC(=O)CS1 ZINC001470004552 1183453693 /nfs/dbraw/zinc/45/36/93/1183453693.db2.gz NDDQDUZPSMKMKL-HNNXBMFYSA-N 0 0 313.378 3.070 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Cc2nsc3ccccc32)c1 ZINC001470254607 1183473413 /nfs/dbraw/zinc/47/34/13/1183473413.db2.gz JNLHNXXDGNNDRQ-UHFFFAOYSA-N 0 0 312.394 3.169 20 10 DGCDRN COc1cccc(/C(C)=C/C(=O)N2Cc3cccc(O)c3C2)c1 ZINC001471355564 1183558379 /nfs/dbraw/zinc/55/83/79/1183558379.db2.gz LIBNMBOZYFBQQK-UKTHLTGXSA-N 0 0 309.365 3.347 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC001471975800 1183604130 /nfs/dbraw/zinc/60/41/30/1183604130.db2.gz HXHJRZAJCAXQPF-JQWIXIFHSA-N 0 0 321.298 3.229 20 10 DGCDRN CC(C)[C@H](C(=O)NCc1c(O)cccc1O)c1ccc(F)cc1 ZINC001472062999 1183612058 /nfs/dbraw/zinc/61/20/58/1183612058.db2.gz BMVYPUGNWQZAQJ-KRWDZBQOSA-N 0 0 317.360 3.293 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1cc2ccc(F)cc2s1 ZINC001472061485 1183612182 /nfs/dbraw/zinc/61/21/82/1183612182.db2.gz RHMKIRZUILXJKJ-UHFFFAOYSA-N 0 0 317.341 3.382 20 10 DGCDRN CC(C)[C@@H](C(=O)NCc1c(O)cccc1O)c1ccc(F)cc1 ZINC001472063000 1183612194 /nfs/dbraw/zinc/61/21/94/1183612194.db2.gz BMVYPUGNWQZAQJ-QGZVFWFLSA-N 0 0 317.360 3.293 20 10 DGCDRN CC(C)c1nn(C)cc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001472086067 1183614699 /nfs/dbraw/zinc/61/46/99/1183614699.db2.gz KKNZWHZLJQNEGT-UHFFFAOYSA-N 0 0 323.396 3.332 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cccc(O)c1F ZINC001472085319 1183614770 /nfs/dbraw/zinc/61/47/70/1183614770.db2.gz QBJUOFNHIIPQSQ-UHFFFAOYSA-N 0 0 311.312 3.320 20 10 DGCDRN CC[C@H](CNC(=O)c1c(F)ccc(O)c1O)c1ccccc1 ZINC001472499473 1183649153 /nfs/dbraw/zinc/64/91/53/1183649153.db2.gz MNWXEQKEFGNHHZ-LLVKDONJSA-N 0 0 303.333 3.161 20 10 DGCDRN CCCOc1ccnc(N(CC)Cc2ccc(N(C)C)cc2)n1 ZINC001472725593 1183672214 /nfs/dbraw/zinc/67/22/14/1183672214.db2.gz MXGOLQGSLUIQFS-UHFFFAOYSA-N 0 0 314.433 3.358 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CCC(C(F)F)CC2)cc1OC ZINC001472724746 1183672272 /nfs/dbraw/zinc/67/22/72/1183672272.db2.gz ZDMCCHAFTBLRLZ-UHFFFAOYSA-N 0 0 316.304 3.094 20 10 DGCDRN COc1ccc(N(Cc2cnon2)Cc2cccs2)cc1 ZINC001473225381 1183731951 /nfs/dbraw/zinc/73/19/51/1183731951.db2.gz OTJDURCHQKQHEK-UHFFFAOYSA-N 0 0 301.371 3.347 20 10 DGCDRN Cc1cc(C[NH2+]C2CC(CC(=O)[O-])C2)c(C)n1-c1ccccc1 ZINC001607647931 1193244297 /nfs/dbraw/zinc/24/42/97/1193244297.db2.gz LDPHECCMUGHWLT-UHFFFAOYSA-N 0 0 312.413 3.437 20 10 DGCDRN COc1ccc(C(=O)NCc2cccc(Cl)c2O)cc1F ZINC001653563849 1195734549 /nfs/dbraw/zinc/73/45/49/1195734549.db2.gz PUOACUQCKOEAHB-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN Cc1cc(Cl)cc(C[NH2+][C@]2(C)CCCC[C@H]2C(=O)[O-])c1O ZINC001607656260 1193246130 /nfs/dbraw/zinc/24/61/30/1193246130.db2.gz VENDQLOVKYZSHF-XJKSGUPXSA-N 0 0 311.809 3.477 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccc2[nH]c(=O)oc2c1 ZINC001474227337 1183885368 /nfs/dbraw/zinc/88/53/68/1183885368.db2.gz USPDXRZLDQPAFS-MRVPVSSYSA-N 0 0 320.295 3.368 20 10 DGCDRN COC(=O)Nc1ccc(NCc2cc(OC)ccc2O)cc1F ZINC001474388987 1183914755 /nfs/dbraw/zinc/91/47/55/1183914755.db2.gz CGQIDCGWHBNNFU-UHFFFAOYSA-N 0 0 320.320 3.330 20 10 DGCDRN CC[C@H](C)N(C/C=C/c1ccc(N(C)C)cc1)CC(=O)OC ZINC001474482315 1183929504 /nfs/dbraw/zinc/92/95/04/1183929504.db2.gz XHARXIAQCBAEAL-KIUWMYQTSA-N 0 0 304.434 3.039 20 10 DGCDRN CC[C@@H](C)N(C/C=C/c1ccc(N(C)C)cc1)CC(=O)OC ZINC001474482317 1183929661 /nfs/dbraw/zinc/92/96/61/1183929661.db2.gz XHARXIAQCBAEAL-MVGZEHJDSA-N 0 0 304.434 3.039 20 10 DGCDRN COc1cc(C)c(CN[C@H]2c3ccccc3OC[C@@H]2F)c(O)c1 ZINC001474706173 1183965433 /nfs/dbraw/zinc/96/54/33/1183965433.db2.gz YULXKXUENIWUIJ-YJBOKZPZSA-N 0 0 317.360 3.271 20 10 DGCDRN O=c1[nH]cc(C[NH2+]Cc2ccc(F)c(F)c2[O-])c2ccccc12 ZINC001474714607 1183966953 /nfs/dbraw/zinc/96/69/53/1183966953.db2.gz WSUJIONEVFLBFV-UHFFFAOYSA-N 0 0 316.307 3.214 20 10 DGCDRN C[C@@H](NS(=O)(=O)CC1(C)CCCCC1)c1ccccc1O ZINC001475586201 1184010760 /nfs/dbraw/zinc/01/07/60/1184010760.db2.gz WATFTDFJGRLRQK-CYBMUJFWSA-N 0 0 311.447 3.343 20 10 DGCDRN Cc1ccc(Cl)cc1S(=O)(=O)N1Cc2cccc(O)c2C1 ZINC001475608567 1184010790 /nfs/dbraw/zinc/01/07/90/1184010790.db2.gz SKQFVENONUFAOE-UHFFFAOYSA-N 0 0 323.801 3.059 20 10 DGCDRN C[C@H]1[C@@H](C)N(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@H]1C ZINC001477634849 1184103133 /nfs/dbraw/zinc/10/31/33/1184103133.db2.gz LYPVFUMZJBOYSM-RBSFLKMASA-N 0 0 315.461 3.255 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC[C@]2(C)C[C@H]3C[C@H]3C2)cc1F ZINC001477653652 1184103888 /nfs/dbraw/zinc/10/38/88/1184103888.db2.gz VMYNSAJQBRLOIN-ZSBFGKGUSA-N 0 0 319.424 3.127 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC[C@H](C)c2ccc(F)cc2)c1 ZINC001477696459 1184106867 /nfs/dbraw/zinc/10/68/67/1184106867.db2.gz OMIDSOJSTFOPEP-ZDUSSCGKSA-N 0 0 316.376 3.443 20 10 DGCDRN Cc1cccc(CCNC(=O)NCc2cccc(Cl)c2O)c1 ZINC001477735500 1184109177 /nfs/dbraw/zinc/10/91/77/1184109177.db2.gz CESOODXNWKLCDV-UHFFFAOYSA-N 0 0 318.804 3.396 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@H]2C2CCCCC2)c1 ZINC001478051415 1184126606 /nfs/dbraw/zinc/12/66/06/1184126606.db2.gz ORJUPPIAPIZJRS-HOTGVXAUSA-N 0 0 302.418 3.469 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c1 ZINC001478051416 1184126841 /nfs/dbraw/zinc/12/68/41/1184126841.db2.gz ORJUPPIAPIZJRS-HZPDHXFCSA-N 0 0 302.418 3.469 20 10 DGCDRN C[C@H]([NH2+]CCN(C)C1CCCCC1)c1cc(C(=O)[O-])ccc1O ZINC001609782342 1193356696 /nfs/dbraw/zinc/35/66/96/1193356696.db2.gz ZUCSHZUJFCVRLH-ZDUSSCGKSA-N 0 0 320.433 3.006 20 10 DGCDRN COC[C@H]([NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O)c1ccc(C)o1 ZINC001610249627 1193379560 /nfs/dbraw/zinc/37/95/60/1193379560.db2.gz RJVCKQFVZWPTCT-RISCZKNCSA-N 0 0 319.357 3.030 20 10 DGCDRN Cc1cc(C[NH2+][C@]2(C)CCCC[C@H]2C(=O)[O-])ccc1N(C)C ZINC001610460788 1193390483 /nfs/dbraw/zinc/39/04/83/1193390483.db2.gz FQDIAFJPBJYHKT-MAUKXSAKSA-N 0 0 304.434 3.184 20 10 DGCDRN Cc1noc(C)c1[C@@H](C)C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001610574813 1193399503 /nfs/dbraw/zinc/39/95/03/1193399503.db2.gz HZFBHKFJSAUEDR-VHSXEESVSA-N 0 0 318.373 3.150 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)c1ncnc2c1CCCC2 ZINC001612112243 1193447280 /nfs/dbraw/zinc/44/72/80/1193447280.db2.gz IWAYNEWEPXTJBU-UHFFFAOYSA-N 0 0 310.445 3.448 20 10 DGCDRN CC[C@H](C)n1nccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001518800920 1186853247 /nfs/dbraw/zinc/85/32/47/1186853247.db2.gz QGGAHVWDLYQSQX-AWEZNQCLSA-N 0 0 314.433 3.192 20 10 DGCDRN CC[C@@H]1CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])[C@H]1C ZINC001612278705 1193449510 /nfs/dbraw/zinc/44/95/10/1193449510.db2.gz IBBGTLHUBKCFSP-SKVWCYETSA-N 0 0 318.373 3.406 20 10 DGCDRN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCC[C@H]1C ZINC001612537678 1193454133 /nfs/dbraw/zinc/45/41/33/1193454133.db2.gz JUUPNMWRBQMDJO-UKRRQHHQSA-N 0 0 314.433 3.365 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@H]2C[C@@H]2C2CCCC2)cc1 ZINC001520906668 1186978753 /nfs/dbraw/zinc/97/87/53/1186978753.db2.gz TWCZHMAZKOFAJJ-UKRRQHHQSA-N 0 0 314.389 3.405 20 10 DGCDRN Cc1ncccc1/C=C/C(=O)N1C[C@H](C)Oc2cc(F)ccc21 ZINC001523588048 1187174414 /nfs/dbraw/zinc/17/44/14/1187174414.db2.gz VGMREMYJIHRYBB-ZCRIDZFUSA-N 0 0 312.344 3.356 20 10 DGCDRN Cc1cc(Cl)c2c(c1)CCCN2C(=O)/C=C/c1cn(C)cn1 ZINC001524953128 1187284507 /nfs/dbraw/zinc/28/45/07/1187284507.db2.gz HDBQXXNULPNZDU-AATRIKPKSA-N 0 0 315.804 3.375 20 10 DGCDRN CCc1cccc(C(=O)NCc2ccc(N(CC)CC)cc2)n1 ZINC001527394230 1187425671 /nfs/dbraw/zinc/42/56/71/1187425671.db2.gz NQBLIXZZYWOJOA-UHFFFAOYSA-N 0 0 311.429 3.420 20 10 DGCDRN O=C(/C=C\c1cccnc1)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001529464034 1187560949 /nfs/dbraw/zinc/56/09/49/1187560949.db2.gz NSXOWQNBDKNWDV-TWGQIWQCSA-N 0 0 323.352 3.373 20 10 DGCDRN CSC(C)(C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001531693950 1187705198 /nfs/dbraw/zinc/70/51/98/1187705198.db2.gz MWKIXFRWSMAMMK-UHFFFAOYSA-N 0 0 306.475 3.387 20 10 DGCDRN C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001532654730 1187775122 /nfs/dbraw/zinc/77/51/22/1187775122.db2.gz BLSIFIOWPYRXQD-IXYNUQLISA-N 0 0 314.429 3.160 20 10 DGCDRN Cc1cc(CNC(=O)C2(C)COC2)c(C)n1-c1cccc(C)c1 ZINC001534758549 1187919415 /nfs/dbraw/zinc/91/94/15/1187919415.db2.gz ITSRTJJLQPBOMB-UHFFFAOYSA-N 0 0 312.413 3.055 20 10 DGCDRN CC(=O)CCCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001540486990 1188242193 /nfs/dbraw/zinc/24/21/93/1188242193.db2.gz IUYHAZOGWAGOTK-UHFFFAOYSA-N 0 0 302.418 3.005 20 10 DGCDRN C[C@@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)n1cccc1 ZINC001540486865 1188242302 /nfs/dbraw/zinc/24/23/02/1188242302.db2.gz DIFVEEAJOXWTJO-INIZCTEOSA-N 0 0 311.429 3.308 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)C[C@@H]2CCC(C)(C)CO2)cc1 ZINC001540518510 1188243925 /nfs/dbraw/zinc/24/39/25/1188243925.db2.gz QYTKSIPQVWJJQD-KRWDZBQOSA-N 0 0 318.461 3.306 20 10 DGCDRN O=C(NCc1ccsc1)c1cc2cc(O)c(O)cc2s1 ZINC001541066037 1188268982 /nfs/dbraw/zinc/26/89/82/1188268982.db2.gz SLSGFWHWTNVPFL-UHFFFAOYSA-N 0 0 305.380 3.304 20 10 DGCDRN CC1(C)CN(C(=O)Cc2ccc(O)c(O)c2)[C@H]1c1ccccc1 ZINC001542309118 1188282386 /nfs/dbraw/zinc/28/23/86/1188282386.db2.gz ADLMKIQUFXIWLB-SFHVURJKSA-N 0 0 311.381 3.250 20 10 DGCDRN Cc1ccc(/C=C/C(=O)N(C)c2cccnc2N2CCCC2)cn1 ZINC001542558262 1188287873 /nfs/dbraw/zinc/28/78/73/1188287873.db2.gz JBMJXGQTGXOFRO-MDZDMXLPSA-N 0 0 322.412 3.061 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H](C)[C@H]2CCCO2)cc1F ZINC001543251560 1188324126 /nfs/dbraw/zinc/32/41/26/1188324126.db2.gz SOCBEOFELISKDM-CXAGYDPISA-N 0 0 322.424 3.103 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)[C@@H]1C[C@H]1c1ccncc1 ZINC001543806465 1188364712 /nfs/dbraw/zinc/36/47/12/1188364712.db2.gz YJQOOVBKJJZOHR-VHSXEESVSA-N 0 0 314.732 3.013 20 10 DGCDRN CCCOCC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001544081270 1188376741 /nfs/dbraw/zinc/37/67/41/1188376741.db2.gz UHNZSWOPWULBBD-UHFFFAOYSA-N 0 0 314.429 3.445 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CCCn2cccc2)cc1 ZINC001544580846 1188399912 /nfs/dbraw/zinc/39/99/12/1188399912.db2.gz URLAQXCNTJVJBV-UHFFFAOYSA-N 0 0 313.445 3.431 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCn1cccc1 ZINC001544806883 1188410574 /nfs/dbraw/zinc/41/05/74/1188410574.db2.gz DLLDTBJOLSQLCY-UHFFFAOYSA-N 0 0 313.426 3.387 20 10 DGCDRN CCC/C=C\[C@H](O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC001544884438 1188413579 /nfs/dbraw/zinc/41/35/79/1188413579.db2.gz FTMMRKLCKLTSRE-GIFJBRJJSA-N 0 0 318.461 3.207 20 10 DGCDRN Cc1cc(C(=O)NCc2c(O)ccc3c2CCCC3)cc(C)n1 ZINC001545639659 1188435421 /nfs/dbraw/zinc/43/54/21/1188435421.db2.gz YFBNUNBQNLYIEY-UHFFFAOYSA-N 0 0 310.397 3.213 20 10 DGCDRN O=C(NCc1cccc(O)c1O)C1(C(F)(F)F)CCCCC1 ZINC001548791545 1188463234 /nfs/dbraw/zinc/46/32/34/1188463234.db2.gz ONJSHZIMAABYRS-UHFFFAOYSA-N 0 0 317.307 3.227 20 10 DGCDRN CC1(C)C[C@@H]1NC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001562965809 1188759442 /nfs/dbraw/zinc/75/94/42/1188759442.db2.gz BIJUGRMPJGFNIB-ZDUSSCGKSA-N 0 0 321.384 3.316 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CC2(CCC2)[C@H]1c1ccccc1 ZINC001556830301 1189022769 /nfs/dbraw/zinc/02/27/69/1189022769.db2.gz AKEWJKYYZVVQKJ-LJQANCHMSA-N 0 0 323.392 3.394 20 10 DGCDRN O=C(/C=C\c1cccs1)NCc1ccc2cccnc2c1O ZINC001557122266 1189042537 /nfs/dbraw/zinc/04/25/37/1189042537.db2.gz FZYSRXARWFPTKA-FPLPWBNLSA-N 0 0 310.378 3.332 20 10 DGCDRN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CC2CCC1CC2 ZINC001557324078 1189056899 /nfs/dbraw/zinc/05/68/99/1189056899.db2.gz JMDFIUZWDFCBAY-OQJCZSEQSA-N 0 0 315.413 3.442 20 10 DGCDRN Cc1ccc(OCC(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001557386756 1189061048 /nfs/dbraw/zinc/06/10/48/1189061048.db2.gz YADRCHSPENHFJP-UHFFFAOYSA-N 0 0 305.761 3.049 20 10 DGCDRN Nc1cc(Cl)ccc1C(=O)NCc1cc(Cl)ccc1O ZINC001557386957 1189061340 /nfs/dbraw/zinc/06/13/40/1189061340.db2.gz OOXHHDOCUWDLPP-UHFFFAOYSA-N 0 0 311.168 3.211 20 10 DGCDRN CC[C@](C)(NC(=O)Cc1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC001557887563 1189090930 /nfs/dbraw/zinc/09/09/30/1189090930.db2.gz LUCQFNLTOZDAMG-SFHVURJKSA-N 0 0 317.360 3.221 20 10 DGCDRN C[C@@H](NC(=O)C(=O)c1ccc(Cl)cc1)c1ccccc1O ZINC001557966498 1189095173 /nfs/dbraw/zinc/09/51/73/1189095173.db2.gz DURGJIMFIVNKLY-SNVBAGLBSA-N 0 0 303.745 3.106 20 10 DGCDRN C[C@H](NC(=O)c1ccoc1Br)c1ccccc1O ZINC001557968204 1189096195 /nfs/dbraw/zinc/09/61/95/1189096195.db2.gz UBOWGTLZZKSYJL-QMMMGPOBSA-N 0 0 310.147 3.239 20 10 DGCDRN Cc1ccc(Cl)c(OCC(=O)N2Cc3cccc(O)c3C2)c1 ZINC001558035416 1189100779 /nfs/dbraw/zinc/10/07/79/1189100779.db2.gz IYQONCORZBXMFY-UHFFFAOYSA-N 0 0 317.772 3.275 20 10 DGCDRN O=C(CCc1ccc(F)cc1F)N1Cc2cccc(O)c2C1 ZINC001558035711 1189100796 /nfs/dbraw/zinc/10/07/96/1189100796.db2.gz NHMAVZUZLUKEPH-UHFFFAOYSA-N 0 0 303.308 3.145 20 10 DGCDRN COc1cccc(C(F)(F)C(=O)N2Cc3cccc(O)c3C2)c1 ZINC001558035280 1189100844 /nfs/dbraw/zinc/10/08/44/1189100844.db2.gz FNYLYTFMUCSQFI-UHFFFAOYSA-N 0 0 319.307 3.035 20 10 DGCDRN O=C(NCc1cccc(O)c1O)C1(c2cccc(Cl)c2)CC1 ZINC001558159645 1189108343 /nfs/dbraw/zinc/10/83/43/1189108343.db2.gz KMIXSSULFNSXPV-UHFFFAOYSA-N 0 0 317.772 3.099 20 10 DGCDRN O=C(NCc1cccc(O)c1O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001558161981 1189108586 /nfs/dbraw/zinc/10/85/86/1189108586.db2.gz SKDKMDISHYGICW-UONOGXRCSA-N 0 0 317.772 3.171 20 10 DGCDRN CCN(C(=O)Cc1ccc(O)c(O)c1)c1ccc(F)c(C)c1 ZINC001558241047 1189112460 /nfs/dbraw/zinc/11/24/60/1189112460.db2.gz KSUQDNKHHRDQGM-UHFFFAOYSA-N 0 0 303.333 3.141 20 10 DGCDRN Cc1ccccc1C[C@H](C)C(=O)NCc1c(O)cccc1F ZINC001558454226 1189126154 /nfs/dbraw/zinc/12/61/54/1189126154.db2.gz BXOYFVLDPMDUIJ-ZDUSSCGKSA-N 0 0 301.361 3.335 20 10 DGCDRN C[C@@H](C(=O)NCc1c(O)cccc1F)c1c(F)cccc1F ZINC001558455816 1189126470 /nfs/dbraw/zinc/12/64/70/1189126470.db2.gz ZIIUTMWCHHSXCG-SECBINFHSA-N 0 0 309.287 3.229 20 10 DGCDRN C[C@@H]1CCc2c(C(=O)NCc3c(O)cccc3O)csc2C1 ZINC001558534710 1189132063 /nfs/dbraw/zinc/13/20/63/1189132063.db2.gz XEAIQECRIKDBNZ-SNVBAGLBSA-N 0 0 317.410 3.214 20 10 DGCDRN C[C@H](C(=O)NCc1c(O)cccc1O)c1cccc(Cl)c1 ZINC001558534906 1189132112 /nfs/dbraw/zinc/13/21/12/1189132112.db2.gz ZPZNRNIWXMLUHA-JTQLQIEISA-N 0 0 305.761 3.171 20 10 DGCDRN C[C@@H](Cc1cccc(Cl)c1)C(=O)NCc1c(O)cccc1O ZINC001558533270 1189132294 /nfs/dbraw/zinc/13/22/94/1189132294.db2.gz AYMNDGCDICLZHB-NSHDSACASA-N 0 0 319.788 3.246 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1ccc2[nH]ccc2n1 ZINC001558555143 1189133804 /nfs/dbraw/zinc/13/38/04/1189133804.db2.gz TYNRTGOHSGUMDK-UHFFFAOYSA-N 0 0 317.348 3.352 20 10 DGCDRN CCc1ccccc1OCC(=O)NCc1cccc(Cl)c1O ZINC001558757102 1189146277 /nfs/dbraw/zinc/14/62/77/1189146277.db2.gz PCLIKIIFKIUUSM-UHFFFAOYSA-N 0 0 319.788 3.303 20 10 DGCDRN CC(=O)c1cc(C(=O)NCc2cccc(Cl)c2O)ccc1C ZINC001558757872 1189146340 /nfs/dbraw/zinc/14/63/40/1189146340.db2.gz WEBIDYICUHZSRR-UHFFFAOYSA-N 0 0 317.772 3.487 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1ccc2c(c1)COC2 ZINC001558756836 1189146703 /nfs/dbraw/zinc/14/67/03/1189146703.db2.gz DIDLUNUIDJSRIG-UHFFFAOYSA-N 0 0 303.745 3.006 20 10 DGCDRN COC(=O)c1cc(OCc2cccc(OC)c2)ccc1N(C)C ZINC001559457059 1189206775 /nfs/dbraw/zinc/20/67/75/1189206775.db2.gz YSCWLKRPYBYOAY-UHFFFAOYSA-N 0 0 315.369 3.127 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCc3cccc(F)c32)c1O ZINC001559611526 1189222554 /nfs/dbraw/zinc/22/25/54/1189222554.db2.gz FQVQFGMQXHUKOO-UHFFFAOYSA-N 0 0 303.308 3.436 20 10 DGCDRN CCOc1ccc(N(CC)Cc2cccnc2[N+](=O)[O-])cc1 ZINC001559634862 1189224732 /nfs/dbraw/zinc/22/47/32/1189224732.db2.gz BNFQVHDHDUTOFI-UHFFFAOYSA-N 0 0 301.346 3.415 20 10 DGCDRN CC[C@@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C ZINC001560373647 1189320311 /nfs/dbraw/zinc/32/03/11/1189320311.db2.gz BFRCOEWNXXTJFK-KBOKABMXSA-N 0 0 318.461 3.476 20 10 DGCDRN Cc1ccc(NCc2ccc(N3CCCC3)cc2)cc1C(N)=O ZINC001560382192 1189321402 /nfs/dbraw/zinc/32/14/02/1189321402.db2.gz LKUBSEARLGNPFK-UHFFFAOYSA-N 0 0 309.413 3.306 20 10 DGCDRN Cc1cccn2c(C[NH2+]Cc3cccc(Cl)c3[O-])cnc12 ZINC001560615800 1189348257 /nfs/dbraw/zinc/34/82/57/1189348257.db2.gz AYEHKXHPZNJYHM-UHFFFAOYSA-N 0 0 301.777 3.292 20 10 DGCDRN Cc1cc(O)c(CN(C)Cc2cccc(C(N)=O)c2)c(Cl)c1 ZINC001560682326 1189360072 /nfs/dbraw/zinc/36/00/72/1189360072.db2.gz AFMNRLXBUOHGFF-UHFFFAOYSA-N 0 0 318.804 3.085 20 10 DGCDRN CN(C)c1ccc(/C=C\CN2C[C@H](O)Cc3ccccc32)cc1 ZINC001560795782 1189383672 /nfs/dbraw/zinc/38/36/72/1189383672.db2.gz FBRACAFOQRPFBN-SFFCAUCYSA-N 0 0 308.425 3.189 20 10 DGCDRN Oc1cc(Cl)ccc1CN1CCc2cc(Cl)nnc2C1 ZINC001560904480 1189403122 /nfs/dbraw/zinc/40/31/22/1189403122.db2.gz ZOCZEGHCQOKAFV-UHFFFAOYSA-N 0 0 310.184 3.047 20 10 DGCDRN CC[C@H](C)C[C@H](NCc1ccc2c(c1)CCCO2)C(=O)OC ZINC001560904034 1189403216 /nfs/dbraw/zinc/40/32/16/1189403216.db2.gz LNYQUJFHQJULSB-BBRMVZONSA-N 0 0 305.418 3.079 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC001560953790 1189410633 /nfs/dbraw/zinc/41/06/33/1189410633.db2.gz WQOHDXCBAJKFRC-MRXNPFEDSA-N 0 0 311.372 3.499 20 10 DGCDRN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC001562661114 1189489329 /nfs/dbraw/zinc/48/93/29/1189489329.db2.gz MQUPBJBTOXTOHN-JTQLQIEISA-N 0 0 301.302 3.183 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2cccc3nsnc32)c1 ZINC001563128026 1189495881 /nfs/dbraw/zinc/49/58/81/1189495881.db2.gz CHVVSXLJFFSLIS-UHFFFAOYSA-N 0 0 314.370 3.027 20 10 DGCDRN CC[C@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CC1(C)C ZINC001563609553 1189522725 /nfs/dbraw/zinc/52/27/25/1189522725.db2.gz DWKHOWJYOMRTPQ-HOTGVXAUSA-N 0 0 303.450 3.377 20 10 DGCDRN C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)C(C)(C)C ZINC001563792441 1189534254 /nfs/dbraw/zinc/53/42/54/1189534254.db2.gz QBJCUTSNWCJXOR-CYBMUJFWSA-N 0 0 303.450 3.303 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@]12C[C@@H]1CCCC2 ZINC001564006907 1189545170 /nfs/dbraw/zinc/54/51/70/1189545170.db2.gz UTBCYPWHYNEGTB-YJBOKZPZSA-N 0 0 301.434 3.193 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCC1CCC1 ZINC001564946678 1189609452 /nfs/dbraw/zinc/60/94/52/1189609452.db2.gz UFMIYCBOXYMONK-HNNXBMFYSA-N 0 0 317.477 3.481 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H]2C[C@@H]2Cc2ccccc2)c1 ZINC001565473623 1189648588 /nfs/dbraw/zinc/64/85/88/1189648588.db2.gz LJXOFRLURLZDRP-IRXDYDNUSA-N 0 0 324.424 3.379 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C(C)=C\c2ccco2)c1 ZINC001566374913 1189765336 /nfs/dbraw/zinc/76/53/36/1189765336.db2.gz YKHWANBKXLIYCF-UCQJPZFISA-N 0 0 301.342 3.275 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)sc1C=O ZINC001567777404 1190296237 /nfs/dbraw/zinc/29/62/37/1190296237.db2.gz VVDCURCGNBMZMH-GFCCVEGCSA-N 0 0 316.426 3.426 20 10 DGCDRN C[C@H](CSc1ccccc1)C(=O)NCc1ccc(O)cc1O ZINC001570462280 1190863960 /nfs/dbraw/zinc/86/39/60/1190863960.db2.gz MFULBOOZSDZLCE-GFCCVEGCSA-N 0 0 317.410 3.142 20 10 DGCDRN CC(=O)c1ccccc1C(=O)NCc1ccc2cccnc2c1O ZINC001570531829 1190877412 /nfs/dbraw/zinc/87/74/12/1190877412.db2.gz QEUROKYKAXDZBH-UHFFFAOYSA-N 0 0 320.348 3.073 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCOc1ccc(Cl)cc1 ZINC001620698035 1193792178 /nfs/dbraw/zinc/79/21/78/1193792178.db2.gz HNSSJKUEOKVHEX-UHFFFAOYSA-N 0 0 313.731 3.492 20 10 DGCDRN COc1ccc2c(c1)N(Cc1cc(F)c(F)cc1O)CCO2 ZINC001621228703 1193819897 /nfs/dbraw/zinc/81/98/97/1193819897.db2.gz IUXQJZYHEPQLGS-UHFFFAOYSA-N 0 0 307.296 3.078 20 10 DGCDRN NC(=O)Nc1cc(NCc2ccc(Cl)cc2O)ccc1F ZINC001621361826 1193832900 /nfs/dbraw/zinc/83/29/00/1193832900.db2.gz QIWWWADVNQXDKS-UHFFFAOYSA-N 0 0 309.728 3.287 20 10 DGCDRN COC(=O)c1c(CN2CC3(CCC3)C2)c2cc(F)ccc2n1C ZINC001621381155 1193835642 /nfs/dbraw/zinc/83/56/42/1193835642.db2.gz UKLCHKYBCNNJLZ-UHFFFAOYSA-N 0 0 316.376 3.090 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC1(Br)CC1 ZINC001621549228 1193856942 /nfs/dbraw/zinc/85/69/42/1193856942.db2.gz IIZIZXPDNDOULB-UHFFFAOYSA-N 0 0 308.578 3.202 20 10 DGCDRN CC(C)OC(=O)C(C)(C)NC/C=C\c1ccc(N(C)C)cc1 ZINC001621558253 1193858749 /nfs/dbraw/zinc/85/87/49/1193858749.db2.gz IBDFKJILJSAARQ-FPLPWBNLSA-N 0 0 304.434 3.086 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Cn1ccc2ccc(F)cc21 ZINC001622312561 1193894339 /nfs/dbraw/zinc/89/43/39/1193894339.db2.gz QFOILBQQFQSLFX-UHFFFAOYSA-N 0 0 312.344 3.145 20 10 DGCDRN O=C(c1ccns1)N(Cc1ccco1)Cc1ccccc1O ZINC001622310936 1193894351 /nfs/dbraw/zinc/89/43/51/1193894351.db2.gz GSWGXBQOFHOYEA-UHFFFAOYSA-N 0 0 314.366 3.284 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C(C)=C\c2ccncc2)c1 ZINC001622780005 1193912054 /nfs/dbraw/zinc/91/20/54/1193912054.db2.gz ZWIJMANADWQYIQ-KXXVWKPMSA-N 0 0 312.369 3.077 20 10 DGCDRN CC(C)Oc1ncccc1NC(=O)N[C@@H](C)c1ccccc1O ZINC001622899505 1193915275 /nfs/dbraw/zinc/91/52/75/1193915275.db2.gz YKOLYPVBWBOWAI-LBPRGKRZSA-N 0 0 315.373 3.457 20 10 DGCDRN COc1cc(F)c(NC(=O)NCc2cc(C)ccc2O)cc1F ZINC001623240615 1193924144 /nfs/dbraw/zinc/92/41/44/1193924144.db2.gz NPDKOTIQIIFOTB-UHFFFAOYSA-N 0 0 322.311 3.309 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](CC)CC(F)F ZINC001623573722 1193939326 /nfs/dbraw/zinc/93/93/26/1193939326.db2.gz DTKMNQKGBIWUKG-SNVBAGLBSA-N 0 0 306.349 3.176 20 10 DGCDRN COc1cc(C)c(NC(=O)N2Cc3cccc(O)c3C2)cc1F ZINC001623835359 1193968162 /nfs/dbraw/zinc/96/81/62/1193968162.db2.gz PHKVMXOIYGCLKV-UHFFFAOYSA-N 0 0 316.332 3.396 20 10 DGCDRN CCOc1ccc(OC(=O)c2sc3ncccc3c2N)cc1 ZINC001624476933 1193998916 /nfs/dbraw/zinc/99/89/16/1193998916.db2.gz ZWCBLRJICDEGFQ-UHFFFAOYSA-N 0 0 314.366 3.496 20 10 DGCDRN CC(=O)c1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1 ZINC001627069353 1194109775 /nfs/dbraw/zinc/10/97/75/1194109775.db2.gz LEIFFKMAJCFPRN-UHFFFAOYSA-N 0 0 320.348 3.073 20 10 DGCDRN CSc1ccc(N(C)C(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001627707939 1194141329 /nfs/dbraw/zinc/14/13/29/1194141329.db2.gz ANTNRBPTTGMONW-UHFFFAOYSA-N 0 0 303.383 3.025 20 10 DGCDRN C/C(=C(/F)C(=O)N1CCOc2cc(N(C)C)ccc21)C1CC1 ZINC001628727306 1194194190 /nfs/dbraw/zinc/19/41/90/1194194190.db2.gz RLTLDITYFFWHPK-WJDWOHSUSA-N 0 0 304.365 3.132 20 10 DGCDRN Cc1ccccc1[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(C)C ZINC001628808875 1194197776 /nfs/dbraw/zinc/19/77/76/1194197776.db2.gz UIKIPFQHOICLLS-LJQANCHMSA-N 0 0 313.397 3.462 20 10 DGCDRN CC[C@@H](Cc1ccccc1)N(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001628927709 1194204275 /nfs/dbraw/zinc/20/42/75/1194204275.db2.gz UBUDRVOVLGLLJC-INIZCTEOSA-N 0 0 313.397 3.120 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCC1CC1 ZINC001629018577 1194209466 /nfs/dbraw/zinc/20/94/66/1194209466.db2.gz OYZUPFATYLZTNJ-UHFFFAOYSA-N 0 0 310.397 3.437 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC2CC(C(C)(C)C)C2)cc1 ZINC001629377056 1194230267 /nfs/dbraw/zinc/23/02/67/1194230267.db2.gz RFMPMJWNQZVCSQ-UHFFFAOYSA-N 0 0 303.450 3.377 20 10 DGCDRN CN1CCCc2cc(CNC(=O)NC[C@]34C[C@H]3CCC4)ccc21 ZINC001630354533 1194281993 /nfs/dbraw/zinc/28/19/93/1194281993.db2.gz JQJRIRUPSNBJFW-APWZRJJASA-N 0 0 313.445 3.058 20 10 DGCDRN Cc1ccc([C@@H]2C[C@H]2NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001630821947 1194306474 /nfs/dbraw/zinc/30/64/74/1194306474.db2.gz SIPTUEJGCSQLBQ-JKSUJKDBSA-N 0 0 322.368 3.443 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC(OC(C)C)C1 ZINC001630986967 1194313923 /nfs/dbraw/zinc/31/39/23/1194313923.db2.gz CQVLLJIXDFNKGA-UHFFFAOYSA-N 0 0 318.442 3.405 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCCC12CC2 ZINC001631506591 1194338694 /nfs/dbraw/zinc/33/86/94/1194338694.db2.gz YMRNZSLUUOBWAQ-MRXNPFEDSA-N 0 0 301.434 3.193 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1cccc2[nH]ccc21 ZINC001632223888 1194378165 /nfs/dbraw/zinc/37/81/65/1194378165.db2.gz QJVZDERXLCTKHU-UHFFFAOYSA-N 0 0 300.745 3.457 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2cncc(C(F)F)c2)cc1 ZINC001632618169 1194400127 /nfs/dbraw/zinc/40/01/27/1194400127.db2.gz USYGZGMEIKIWKA-UHFFFAOYSA-N 0 0 319.271 3.434 20 10 DGCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1Cc2ccccc2C1 ZINC001632633346 1194400569 /nfs/dbraw/zinc/40/05/69/1194400569.db2.gz ZIIANVUBOJYINP-UHFFFAOYSA-N 0 0 311.362 3.469 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H](C)c2ccc(F)c(F)c2)c1 ZINC001633282272 1194429899 /nfs/dbraw/zinc/42/98/99/1194429899.db2.gz HBROXTJKWOWWMV-NSHDSACASA-N 0 0 305.324 3.399 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCc3cc(F)ccc32)cc1 ZINC001634008768 1194469923 /nfs/dbraw/zinc/46/99/23/1194469923.db2.gz IZDNXFALNUXNCY-UHFFFAOYSA-N 0 0 312.304 3.191 20 10 DGCDRN CC(C)c1ncc(NC(=O)c2ccc(N=NC(N)=O)cc2)cn1 ZINC001634039153 1194470508 /nfs/dbraw/zinc/47/05/08/1194470508.db2.gz DAYVQTYQYVVUIG-UHFFFAOYSA-N 0 0 312.333 3.015 20 10 DGCDRN CC1(C)C(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1(C)C ZINC001635118053 1194533221 /nfs/dbraw/zinc/53/32/21/1194533221.db2.gz ZLVCYJJOTIENSV-UHFFFAOYSA-N 0 0 302.378 3.261 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)Nc1cc(C2CCCCC2)[nH]n1 ZINC001635128471 1194534130 /nfs/dbraw/zinc/53/41/30/1194534130.db2.gz DTHRAQWBMIQMRT-UHFFFAOYSA-N 0 0 315.373 3.050 20 10 DGCDRN O=C(CCc1cncc2ccccc21)NCc1c(O)cccc1F ZINC001635366565 1194547609 /nfs/dbraw/zinc/54/76/09/1194547609.db2.gz BHKHBARVOVRHGU-UHFFFAOYSA-N 0 0 324.355 3.329 20 10 DGCDRN C[C@@H](NC(=O)Cc1ccc(OC(F)F)cc1)c1ccccc1O ZINC001635793638 1194572606 /nfs/dbraw/zinc/57/26/06/1194572606.db2.gz AVIKIGFZCOLZSA-LLVKDONJSA-N 0 0 321.323 3.414 20 10 DGCDRN Cc1cc(F)ncc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001635969584 1194583321 /nfs/dbraw/zinc/58/33/21/1194583321.db2.gz UBIPBZIFTJFLSI-UHFFFAOYSA-N 0 0 310.328 3.318 20 10 DGCDRN O=C(NCc1ccccc1O)C1(c2nccc3ccccc32)CC1 ZINC001636058374 1194589889 /nfs/dbraw/zinc/58/98/89/1194589889.db2.gz ZDZFDXCHNAZXIP-UHFFFAOYSA-N 0 0 318.376 3.288 20 10 DGCDRN C[C@H](Oc1ccccc1Cl)C(=O)N1Cc2cccc(O)c2C1 ZINC001636230454 1194600990 /nfs/dbraw/zinc/60/09/90/1194600990.db2.gz DSOWAPBURPLCDZ-NSHDSACASA-N 0 0 317.772 3.355 20 10 DGCDRN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1Cc2cccc(O)c2C1 ZINC001636230940 1194601299 /nfs/dbraw/zinc/60/12/99/1194601299.db2.gz KVGBGDLLTXRFKT-UHFFFAOYSA-N 0 0 318.716 3.110 20 10 DGCDRN CSc1cccc(F)c1C(=O)N1Cc2cccc(O)c2C1 ZINC001636231054 1194601461 /nfs/dbraw/zinc/60/14/61/1194601461.db2.gz OTESURIKWJDGRO-UHFFFAOYSA-N 0 0 303.358 3.409 20 10 DGCDRN Cc1ccoc1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001637049339 1194647648 /nfs/dbraw/zinc/64/76/48/1194647648.db2.gz FCSWXRYRBBZVQX-UHFFFAOYSA-N 0 0 303.339 3.144 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1ccccc1-c1ccncc1 ZINC001637046759 1194647675 /nfs/dbraw/zinc/64/76/75/1194647675.db2.gz XLDKVCPCBHNXEE-UHFFFAOYSA-N 0 0 320.348 3.090 20 10 DGCDRN CN(C)c1cccc(C(=O)NCc2cccc(Cl)c2O)c1 ZINC001637219226 1194658198 /nfs/dbraw/zinc/65/81/98/1194658198.db2.gz YSSRQRCRIOHRGU-UHFFFAOYSA-N 0 0 304.777 3.042 20 10 DGCDRN C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(F)cc1Cl ZINC001637639531 1194679719 /nfs/dbraw/zinc/67/97/19/1194679719.db2.gz CRZYWFGQVBGTMP-SECBINFHSA-N 0 0 323.751 3.310 20 10 DGCDRN O=C(/C=C/c1ccc(Cl)s1)NCc1ccc(O)cc1O ZINC001638357795 1194713410 /nfs/dbraw/zinc/71/34/10/1194713410.db2.gz VGPXBUIYNIEDCB-GQCTYLIASA-N 0 0 309.774 3.142 20 10 DGCDRN Cc1cccc2c1CN(C(=O)c1ccc(N=NC(N)=O)cc1)CC2 ZINC001638509832 1194722113 /nfs/dbraw/zinc/72/21/13/1194722113.db2.gz HGHZNMPLLCPVGA-UHFFFAOYSA-N 0 0 322.368 3.356 20 10 DGCDRN Cc1cc(C(=O)N[C@]23C[C@H]2COC3)c(C)n1-c1cc(C)cc(C)c1 ZINC001638514774 1194722615 /nfs/dbraw/zinc/72/26/15/1194722615.db2.gz QZBLUZOTICTHDW-JXFKEZNVSA-N 0 0 324.424 3.230 20 10 DGCDRN CNc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)nc1 ZINC001638693587 1194732423 /nfs/dbraw/zinc/73/24/23/1194732423.db2.gz HEFDWHWORSISHD-UHFFFAOYSA-N 0 0 324.428 3.044 20 10 DGCDRN C[C@@H](CC(=O)NCc1c(O)cccc1F)c1cccc(F)c1 ZINC001638863209 1194741222 /nfs/dbraw/zinc/74/12/22/1194741222.db2.gz KRSLMZKKXACLCD-NSHDSACASA-N 0 0 305.324 3.480 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cc(Cl)c(Cl)[nH]1 ZINC001638864051 1194741317 /nfs/dbraw/zinc/74/13/17/1194741317.db2.gz RYVNAMQONZTDKU-UHFFFAOYSA-N 0 0 303.120 3.096 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC/C=C\Cl ZINC001638867717 1194742009 /nfs/dbraw/zinc/74/20/09/1194742009.db2.gz AEGJTUXIIGEHNP-WTKPLQERSA-N 0 0 307.825 3.181 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1csc(-c2ccco2)n1 ZINC000053915903 1194747000 /nfs/dbraw/zinc/74/70/00/1194747000.db2.gz ZPKPGFWLTPINHT-UHFFFAOYSA-N 0 0 314.366 3.381 20 10 DGCDRN CC[C@@H](C)Oc1ccc(C(=O)NCc2c(O)cccc2O)cc1 ZINC001639289149 1194758943 /nfs/dbraw/zinc/75/89/43/1194758943.db2.gz LWZYKWXZXGNYDX-GFCCVEGCSA-N 0 0 315.369 3.205 20 10 DGCDRN COc1cc(Cl)ccc1OC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001639383351 1194762135 /nfs/dbraw/zinc/76/21/35/1194762135.db2.gz QYJRKHMVPMZKGX-XVNBXDOJSA-N 0 0 320.728 3.379 20 10 DGCDRN CC(C)OCCCC(=O)NCc1c(O)ccc2ccccc21 ZINC001639387664 1194762634 /nfs/dbraw/zinc/76/26/34/1194762634.db2.gz ODKLCXMPNUHGTF-UHFFFAOYSA-N 0 0 301.386 3.367 20 10 DGCDRN COc1ccc(CC(=O)NCc2cc(Cl)ccc2O)cc1F ZINC001639961743 1194788933 /nfs/dbraw/zinc/78/89/33/1194788933.db2.gz HABMTBFHKZIQSL-UHFFFAOYSA-N 0 0 323.751 3.052 20 10 DGCDRN C/C(=C\c1cccnc1)C(=O)NCc1cc(Cl)ccc1O ZINC001639965648 1194789425 /nfs/dbraw/zinc/78/94/25/1194789425.db2.gz NRVWSJGCTPNNSZ-YRNVUSSQSA-N 0 0 302.761 3.160 20 10 DGCDRN Nc1ccc(Cl)cc1C(=O)NCc1cc(Cl)ccc1O ZINC001639969214 1194789538 /nfs/dbraw/zinc/78/95/38/1194789538.db2.gz WOVFRKZCBZQRLO-UHFFFAOYSA-N 0 0 311.168 3.211 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2cccnc2C2CC2)cc1 ZINC001640235587 1194803657 /nfs/dbraw/zinc/80/36/57/1194803657.db2.gz IGGCKBAZGSRELR-UHFFFAOYSA-N 0 0 309.329 3.374 20 10 DGCDRN Cc1[nH]nc(NC(=O)c2cc3cc(O)c(O)cc3s2)c1Cl ZINC001640398069 1194811023 /nfs/dbraw/zinc/81/10/23/1194811023.db2.gz MHLHYYGNEZSAEZ-UHFFFAOYSA-N 0 0 323.761 3.250 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cncc(C(F)(F)F)c2)c1 ZINC001640796713 1194828027 /nfs/dbraw/zinc/82/80/27/1194828027.db2.gz MKZJKALGPIBZPD-UHFFFAOYSA-N 0 0 310.275 3.044 20 10 DGCDRN COC(=O)c1cnc(SCc2nc3ccccc3[nH]2)s1 ZINC001641152498 1194842076 /nfs/dbraw/zinc/84/20/76/1194842076.db2.gz ZTEXKUFLOYMULL-UHFFFAOYSA-N 0 0 305.384 3.098 20 10 DGCDRN CS[C@H](C(=O)NCc1cc(C)ccc1O)c1ccccc1 ZINC001641733383 1194868724 /nfs/dbraw/zinc/86/87/24/1194868724.db2.gz UDODCGPVAHPFEZ-INIZCTEOSA-N 0 0 301.411 3.421 20 10 DGCDRN COc1cc(N(C)C[C@H]2CCCC(C)(C)O2)cc(OC)c1OC ZINC001641778499 1194871286 /nfs/dbraw/zinc/87/12/86/1194871286.db2.gz LYDUQZXAYFIROG-CQSZACIVSA-N 0 0 323.433 3.496 20 10 DGCDRN CN(C[C@H]1CCC[C@H](C(F)(F)F)O1)c1ccc2c(c1)OCO2 ZINC001642299629 1194899646 /nfs/dbraw/zinc/89/96/46/1194899646.db2.gz ARXSNTWEBRRQRO-BXUZGUMPSA-N 0 0 317.307 3.352 20 10 DGCDRN Cc1nc2ccc(O)cc2cc1C(=O)N[C@H](C)c1ccccc1O ZINC001642827175 1194943707 /nfs/dbraw/zinc/94/37/07/1194943707.db2.gz ARBSJTRQSKMIBF-LLVKDONJSA-N 0 0 322.364 3.445 20 10 DGCDRN C[C@H](NC(=O)c1ccc(Br)cn1)c1ccccc1O ZINC001642827212 1194943754 /nfs/dbraw/zinc/94/37/54/1194943754.db2.gz CEFKPVNJFBXDKT-VIFPVBQESA-N 0 0 321.174 3.041 20 10 DGCDRN COc1nc(C(=O)N[C@@H](C)c2ccccc2O)cc2ccccc21 ZINC001642828063 1194944114 /nfs/dbraw/zinc/94/41/14/1194944114.db2.gz XXODFFSIDAEGLT-LBPRGKRZSA-N 0 0 322.364 3.440 20 10 DGCDRN COC(=O)C1(N(Cc2ccc(N(C)C)c(C)c2)C2CC2)CCC1 ZINC001643534065 1195032629 /nfs/dbraw/zinc/03/26/29/1195032629.db2.gz DIPHGUZFNOVBMN-UHFFFAOYSA-N 0 0 316.445 3.121 20 10 DGCDRN CC[C@@H](C)c1ncc(NC(=O)NCc2cc(C)ccc2O)cn1 ZINC001671210031 1195043528 /nfs/dbraw/zinc/04/35/28/1195043528.db2.gz QHYXSBKSYBESNW-GFCCVEGCSA-N 0 0 314.389 3.326 20 10 DGCDRN COc1c2ccccc2[nH]c1C(=O)N[C@H](C)c1ccccc1O ZINC001643741968 1195051234 /nfs/dbraw/zinc/05/12/34/1195051234.db2.gz HLPRPBTXCGFTSP-LLVKDONJSA-N 0 0 310.353 3.373 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)C1(c2cccc(Cl)c2)CC1 ZINC001643879256 1195060504 /nfs/dbraw/zinc/06/05/04/1195060504.db2.gz IBWUBWDOLMRJTG-UHFFFAOYSA-N 0 0 317.772 3.099 20 10 DGCDRN CC[C@H](Cc1cccc(C)c1)C(=O)NCc1cc(O)ccc1O ZINC001643885221 1195061592 /nfs/dbraw/zinc/06/15/92/1195061592.db2.gz NEQNIFWRBZZTMA-OAHLLOKOSA-N 0 0 313.397 3.291 20 10 DGCDRN O=C(c1ccccc1Br)N1Cc2cccc(O)c2C1 ZINC001644084012 1195080542 /nfs/dbraw/zinc/08/05/42/1195080542.db2.gz PSVNJTHGXQJBQJ-UHFFFAOYSA-N 0 0 318.170 3.311 20 10 DGCDRN CCOC(=O)/C=C/CN(CC1CC1)c1ccc(OCC)cc1 ZINC001644161991 1195086104 /nfs/dbraw/zinc/08/61/04/1195086104.db2.gz RYZDZOGLHQUEBM-AATRIKPKSA-N 0 0 303.402 3.421 20 10 DGCDRN COC(=O)c1cc(OC[C@@H]2C[C@H]3C=C[C@@H]2C3)ccc1N(C)C ZINC001644179496 1195087064 /nfs/dbraw/zinc/08/70/64/1195087064.db2.gz NWZZRNNRWPCHCK-MJBXVCDLSA-N 0 0 301.386 3.130 20 10 DGCDRN CC1(C)CN(C(=O)/C=C/c2cncc(O)c2)c2cc(F)ccc21 ZINC001644331134 1195101222 /nfs/dbraw/zinc/10/12/22/1195101222.db2.gz SBWBJTUMQLXFMK-ZZXKWVIFSA-N 0 0 312.344 3.264 20 10 DGCDRN CCC(C)(CC)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001644438356 1195108651 /nfs/dbraw/zinc/10/86/51/1195108651.db2.gz NVGFDHJWWLBZSK-UHFFFAOYSA-N 0 0 306.450 3.416 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1cc(F)cc([N+](=O)[O-])c1 ZINC001644590924 1195118758 /nfs/dbraw/zinc/11/87/58/1195118758.db2.gz VJFNGQAPZFICTM-UHFFFAOYSA-N 0 0 324.695 3.023 20 10 DGCDRN C[C@@H](Oc1cccc(F)c1)C(=O)NCc1cc(Cl)ccc1O ZINC001644590825 1195119002 /nfs/dbraw/zinc/11/90/02/1195119002.db2.gz QMNNJKQZTBPQNO-SNVBAGLBSA-N 0 0 323.751 3.268 20 10 DGCDRN C/C(=C\c1ccc(Cl)cc1)C(=O)NCc1cc(O)ccc1O ZINC001644753798 1195132208 /nfs/dbraw/zinc/13/22/08/1195132208.db2.gz KCYJJPIVTRKUOY-DHZHZOJOSA-N 0 0 317.772 3.471 20 10 DGCDRN CC1(C)C[C@@H](C(=O)NCc2c(O)ccc3ccccc32)CCO1 ZINC001645442839 1195184528 /nfs/dbraw/zinc/18/45/28/1195184528.db2.gz AVLUYRRNOFJGGD-AWEZNQCLSA-N 0 0 313.397 3.367 20 10 DGCDRN CCC[C@@H](O)CCNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001645910766 1195207092 /nfs/dbraw/zinc/20/70/92/1195207092.db2.gz TUWBFEGPUPXDOY-GOSISDBHSA-N 0 0 314.429 3.375 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)[C@@H]1CSCCS1 ZINC001647791278 1195253516 /nfs/dbraw/zinc/25/35/16/1195253516.db2.gz MXMSYDOYPCPGLX-HNNXBMFYSA-N 0 0 319.451 3.010 20 10 DGCDRN Cc1cc(NC(=O)C2=CC(=O)CS2)cnc1C(F)(F)F ZINC001647813847 1195255722 /nfs/dbraw/zinc/25/57/22/1195255722.db2.gz SSESLUYSYGOLCC-UHFFFAOYSA-N 0 0 302.277 3.428 20 10 DGCDRN C[C@@H](NC(=O)c1c(F)ccc(O)c1O)c1cccc(F)c1F ZINC001648669818 1195320874 /nfs/dbraw/zinc/32/08/74/1195320874.db2.gz UCUADGAVJBXWFG-SSDOTTSWSA-N 0 0 311.259 3.006 20 10 DGCDRN Cc1ccc(CC(=O)N2Cc3cccc(O)c3C2)cc1Cl ZINC001650674686 1195370170 /nfs/dbraw/zinc/37/01/70/1195370170.db2.gz LWWJWSVWESANMN-UHFFFAOYSA-N 0 0 301.773 3.439 20 10 DGCDRN COC(=O)/C=C/c1ccc(N2CC(C)(C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001651150983 1195419718 /nfs/dbraw/zinc/41/97/18/1195419718.db2.gz DPCMPZNMLLEZBO-WAFBPQNNSA-N 0 0 318.373 3.406 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CC(C)(C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001651150982 1195420055 /nfs/dbraw/zinc/42/00/55/1195420055.db2.gz DPCMPZNMLLEZBO-VFFGBVLKSA-N 0 0 318.373 3.406 20 10 DGCDRN Cc1cc(Cl)c(C(=O)NCc2cccc(O)c2O)cc1C ZINC001651175590 1195423166 /nfs/dbraw/zinc/42/31/66/1195423166.db2.gz DRYHVHSGWMNTDA-UHFFFAOYSA-N 0 0 305.761 3.298 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1cc(Cl)cc(Cl)c1 ZINC001651222565 1195428133 /nfs/dbraw/zinc/42/81/33/1195428133.db2.gz JUKOQEIEMLKEIM-UHFFFAOYSA-N 0 0 312.152 3.335 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001651225581 1195429123 /nfs/dbraw/zinc/42/91/23/1195429123.db2.gz PPVQQKKVALEJQA-BFHYXJOUSA-N 0 0 303.402 3.321 20 10 DGCDRN Cc1cc(CCNc2ncc(C=O)cn2)c(C)n1-c1ccccc1 ZINC001651301707 1195440599 /nfs/dbraw/zinc/44/05/99/1195440599.db2.gz NJKHNZNGXRVBSW-UHFFFAOYSA-N 0 0 320.396 3.351 20 10 DGCDRN CC[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])C(=O)OC(C)(C)C ZINC001651591835 1195484152 /nfs/dbraw/zinc/48/41/52/1195484152.db2.gz GEECAVKDJMODBG-SNVBAGLBSA-N 0 0 315.360 3.128 20 10 DGCDRN C[S@](=O)[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001651646396 1195491157 /nfs/dbraw/zinc/49/11/57/1195491157.db2.gz KQUYEYVVDBXJHP-ADWYPQAOSA-N 0 0 322.257 3.088 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H]2C[C@@H]2Cc2ccccc2)c1 ZINC001651691150 1195497693 /nfs/dbraw/zinc/49/76/93/1195497693.db2.gz OGGISCMWTVARKX-GJZGRUSLSA-N 0 0 312.369 3.269 20 10 DGCDRN CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(F)c(F)cc2[O-])C12CCC2 ZINC001651894753 1195521270 /nfs/dbraw/zinc/52/12/70/1195521270.db2.gz UGUAOANDSAFFPA-HZPDHXFCSA-N 0 0 311.372 3.450 20 10 DGCDRN [NH3+]CCCN(Cc1ccc(F)c(F)c1[O-])c1cccc(F)c1 ZINC001652001359 1195534334 /nfs/dbraw/zinc/53/43/34/1195534334.db2.gz RJKBYXJUUHMIFB-UHFFFAOYSA-N 0 0 310.319 3.165 20 10 DGCDRN COC(=O)c1cc(OCc2cc(F)cc(F)c2)ccc1N(C)C ZINC001652165326 1195556713 /nfs/dbraw/zinc/55/67/13/1195556713.db2.gz QRFHIUTXMNEQGX-UHFFFAOYSA-N 0 0 321.323 3.396 20 10 DGCDRN O=[N+]([O-])c1cc2ccccc2nc1NCc1c(O)cccc1O ZINC001652267319 1195573856 /nfs/dbraw/zinc/57/38/56/1195573856.db2.gz NRIIRCKXXZLLQI-UHFFFAOYSA-N 0 0 311.297 3.166 20 10 DGCDRN C[C@@H](CSC(F)(F)F)C(=O)NCc1c(O)cccc1F ZINC001652298993 1195578543 /nfs/dbraw/zinc/57/85/43/1195578543.db2.gz XPJAERGZTSIXNB-ZETCQYMHSA-N 0 0 311.300 3.037 20 10 DGCDRN Cc1c2cc(C)ccc2[nH]c1C(=O)NCc1c(O)cccc1O ZINC001652625505 1195627514 /nfs/dbraw/zinc/62/75/14/1195627514.db2.gz FZZBTCOAZSPQDB-UHFFFAOYSA-N 0 0 310.353 3.126 20 10 DGCDRN CC(C)Cc1ccc(C(=O)NCc2c(O)cccc2O)s1 ZINC001652628394 1195628722 /nfs/dbraw/zinc/62/87/22/1195628722.db2.gz BGVIJTCYYLMLMB-UHFFFAOYSA-N 0 0 305.399 3.288 20 10 DGCDRN O=C(Cc1cc(C2CC2)no1)NCc1c(O)ccc2ccccc21 ZINC001652708942 1195638911 /nfs/dbraw/zinc/63/89/11/1195638911.db2.gz QPXOYIHVFQVQRA-UHFFFAOYSA-N 0 0 322.364 3.270 20 10 DGCDRN COc1ccc(N(C)Cc2cnc3ccccc3n2)cc1OC ZINC001652737523 1195643218 /nfs/dbraw/zinc/64/32/18/1195643218.db2.gz VNIGVGOGUNGQRN-UHFFFAOYSA-N 0 0 309.369 3.283 20 10 DGCDRN CCCOc1ccc(CN[C@H](C(=O)OC)C(C)(C)C)cc1C ZINC001652955679 1195674710 /nfs/dbraw/zinc/67/47/10/1195674710.db2.gz LYSMBYVNGIPVTP-MRXNPFEDSA-N 0 0 307.434 3.461 20 10 DGCDRN Cc1ccc(CNc2ccc3c(c2)SCC(=O)N3)c(O)c1 ZINC001652992418 1195678007 /nfs/dbraw/zinc/67/80/07/1195678007.db2.gz BSUIRIUVLAYVCK-UHFFFAOYSA-N 0 0 300.383 3.357 20 10 DGCDRN Cc1cc(O)c(CN2CC(O)(c3ccc(F)cc3)C2)c(Cl)c1 ZINC001653063458 1195684989 /nfs/dbraw/zinc/68/49/89/1195684989.db2.gz VPXMYXGMVSREFM-UHFFFAOYSA-N 0 0 321.779 3.197 20 10 DGCDRN CN(Cc1c([O-])ccc(Cl)c1F)CC(C)(C)C[NH+](C)C ZINC001653212879 1195698496 /nfs/dbraw/zinc/69/84/96/1195698496.db2.gz FZIOREVAFPNRIZ-UHFFFAOYSA-N 0 0 302.821 3.204 20 10 DGCDRN COc1ccc(N(CCNC(=O)C2CC2)CCC(C)C)cc1 ZINC001653510698 1195730040 /nfs/dbraw/zinc/73/00/40/1195730040.db2.gz NJNHGKOMDLSZHV-UHFFFAOYSA-N 0 0 304.434 3.074 20 10 DGCDRN Cc1ccc(C(=O)NCCC2CCC(F)(F)CC2)c(O)c1O ZINC001653532434 1195731289 /nfs/dbraw/zinc/73/12/89/1195731289.db2.gz DXGPDXDMZDWAHJ-UHFFFAOYSA-N 0 0 313.344 3.352 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1cc(F)cc(F)c1 ZINC001654011486 1195767192 /nfs/dbraw/zinc/76/71/92/1195767192.db2.gz PMDWTIUYXUPPDC-UHFFFAOYSA-N 0 0 304.340 3.430 20 10 DGCDRN CCC[C@@H](Cc1ccccc1)NC(=O)c1c(F)ccc(O)c1O ZINC001654285890 1195791001 /nfs/dbraw/zinc/79/10/01/1195791001.db2.gz DECSBTGXSQBOCP-ZDUSSCGKSA-N 0 0 317.360 3.378 20 10 DGCDRN COc1ccc(N(CCO[C@@H]2CCOC2)CCC(C)C)cc1 ZINC001654365489 1195797125 /nfs/dbraw/zinc/79/71/25/1195797125.db2.gz ZTFRPTKSNWFPBL-GOSISDBHSA-N 0 0 307.434 3.353 20 10 DGCDRN CCOC(=O)/C=C\CN(C)c1ccc(-c2nccs2)cc1 ZINC001654678901 1195829690 /nfs/dbraw/zinc/82/96/90/1195829690.db2.gz NLLMTZXMXXZBIN-PLNGDYQASA-N 0 0 302.399 3.366 20 10 DGCDRN C[C@@H](N[C@@H](C)c1nc(-c2cccnc2)no1)c1ccccc1O ZINC001655349801 1195906947 /nfs/dbraw/zinc/90/69/47/1195906947.db2.gz TUGPMXJSURWFLU-NEPJUHHUSA-N 0 0 310.357 3.249 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC(C)CC1 ZINC001655691377 1195950271 /nfs/dbraw/zinc/95/02/71/1195950271.db2.gz DOIDTYGTNGSEID-INIZCTEOSA-N 0 0 317.477 3.434 20 10 DGCDRN Cc1cc(Br)cc(NCc2cc(O)ccc2O)n1 ZINC001655814659 1195965851 /nfs/dbraw/zinc/96/58/51/1195965851.db2.gz CMJHCYJGVXJAOW-UHFFFAOYSA-N 0 0 309.163 3.176 20 10 DGCDRN Cn1cnc2cc(NCc3ccccc3N3CCOCC3)ccc21 ZINC001656764959 1196069480 /nfs/dbraw/zinc/06/94/80/1196069480.db2.gz XWWCKMWKEBIHOO-UHFFFAOYSA-N 0 0 322.412 3.022 20 10 DGCDRN COC(=O)c1cc(OCc2cc(C)cc(C)n2)ccc1N(C)C ZINC001656826206 1196074041 /nfs/dbraw/zinc/07/40/41/1196074041.db2.gz RPLKBCMQBRGXQN-UHFFFAOYSA-N 0 0 314.385 3.130 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001657195287 1196117023 /nfs/dbraw/zinc/11/70/23/1196117023.db2.gz YQHOKLASSHJIQB-SWLSCSKDSA-N 0 0 316.367 3.213 20 10 DGCDRN OCCOc1ccc(NCc2ccc(N3CCCC3)cc2)cc1 ZINC001657422474 1196139601 /nfs/dbraw/zinc/13/96/01/1196139601.db2.gz MPYOGAWZTSVJQJ-UHFFFAOYSA-N 0 0 312.413 3.270 20 10 DGCDRN Cc1cc(N(C)C)ccc1NC(=O)NCc1c(O)cccc1F ZINC001657525139 1196151306 /nfs/dbraw/zinc/15/13/06/1196151306.db2.gz FACCVUJCQWULDU-UHFFFAOYSA-N 0 0 317.364 3.227 20 10 DGCDRN COCC[C@@H]([NH2+]Cc1cc(F)c(F)cc1[O-])c1ccc(C)o1 ZINC001657545763 1196154107 /nfs/dbraw/zinc/15/41/07/1196154107.db2.gz GLFCMYUBOFYSMB-CQSZACIVSA-N 0 0 311.328 3.439 20 10 DGCDRN Cn1cnc(-c2ccc(NCc3cc(F)c(F)cc3O)cc2)n1 ZINC001657703189 1196170479 /nfs/dbraw/zinc/17/04/79/1196170479.db2.gz GDWUHGHIJVYWPJ-UHFFFAOYSA-N 0 0 316.311 3.078 20 10 DGCDRN CCOC(=O)[C@@H](CC)N(Cc1ccc(N(C)C)cc1C)C1CC1 ZINC001657824830 1196181182 /nfs/dbraw/zinc/18/11/82/1196181182.db2.gz SQGCSDIFPREUOS-GOSISDBHSA-N 0 0 318.461 3.367 20 10 DGCDRN COc1ccc(N(C)CCOCc2ccccc2)c(OC)c1 ZINC001657868739 1196189075 /nfs/dbraw/zinc/18/90/75/1196189075.db2.gz AYIOQLMPOUQFMB-UHFFFAOYSA-N 0 0 301.386 3.357 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1cccc(N(C)C(N)=O)c1 ZINC001657958097 1196196303 /nfs/dbraw/zinc/19/63/03/1196196303.db2.gz NXADQIRZIHEVHZ-UHFFFAOYSA-N 0 0 312.417 3.188 20 10 DGCDRN COc1cc(NC(=O)NCc2cc(C)ccc2O)cc(OC)c1 ZINC001657971391 1196197057 /nfs/dbraw/zinc/19/70/57/1196197057.db2.gz SNJXNTDDTMTHKZ-UHFFFAOYSA-N 0 0 316.357 3.040 20 10 DGCDRN COc1ccccc1NC(=O)NCc1cc(Cl)ccc1O ZINC001658127053 1196215406 /nfs/dbraw/zinc/21/54/06/1196215406.db2.gz NQYUFCMXMBCTDD-UHFFFAOYSA-N 0 0 306.749 3.376 20 10 DGCDRN Cn1cnc2cc(C[NH2+]Cc3cccc(Cl)c3[O-])ccc21 ZINC001658140993 1196216976 /nfs/dbraw/zinc/21/69/76/1196216976.db2.gz NDNNURHSOMVSBG-UHFFFAOYSA-N 0 0 301.777 3.222 20 10 DGCDRN CCc1cccc(CN2C[C@@H](C(F)(F)F)OC(C)(C)C2)c1O ZINC001658174984 1196221071 /nfs/dbraw/zinc/22/10/71/1196221071.db2.gz XEXISMQAMHGEDG-ZDUSSCGKSA-N 0 0 317.351 3.496 20 10 DGCDRN COc1cc(C(N)=O)ccc1NCc1cc(Cl)c(C)cc1O ZINC001658331281 1196243449 /nfs/dbraw/zinc/24/34/49/1196243449.db2.gz XHXYPSLWNFGIQR-UHFFFAOYSA-N 0 0 320.776 3.074 20 10 DGCDRN C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001658375265 1196248425 /nfs/dbraw/zinc/24/84/25/1196248425.db2.gz QMGBWOCCHFPSKJ-GXTWGEPZSA-N 0 0 323.408 3.331 20 10 DGCDRN [O-]c1cc(Cl)ccc1C[NH2+]C1CCN(c2nccs2)CC1 ZINC001659018288 1196332476 /nfs/dbraw/zinc/33/24/76/1196332476.db2.gz IEXPGOOUMNNJOJ-UHFFFAOYSA-N 0 0 323.849 3.261 20 10 DGCDRN CCN(C)c1ccc(CN(C2CC2)C2(C(=O)OC)CCC2)cc1 ZINC001659116354 1196347053 /nfs/dbraw/zinc/34/70/53/1196347053.db2.gz FWXKIARKXMXQNO-UHFFFAOYSA-N 0 0 316.445 3.203 20 10 DGCDRN COc1cc(Cl)cc(CNc2cc(C)cc(C(N)=O)c2)c1O ZINC001659258406 1196364837 /nfs/dbraw/zinc/36/48/37/1196364837.db2.gz GWLCNDPUVYQODV-UHFFFAOYSA-N 0 0 320.776 3.074 20 10 DGCDRN OC[C@H]1Cc2ccccc2N(Cc2ccc(Cl)cc2O)C1 ZINC001659317145 1196371563 /nfs/dbraw/zinc/37/15/63/1196371563.db2.gz XCRHJRQNUIDNFL-LBPRGKRZSA-N 0 0 303.789 3.217 20 10 DGCDRN CN(C)c1ccc(CN(Cc2cn(C3CC3)cn2)C2CC2)cc1 ZINC001659321563 1196371684 /nfs/dbraw/zinc/37/16/84/1196371684.db2.gz KMKFMHSXJVUUEC-UHFFFAOYSA-N 0 0 310.445 3.449 20 10 DGCDRN CCOC(=O)C[C@](C)([NH2+]Cc1cc(F)c(F)cc1[O-])C(C)C ZINC001659551603 1196395156 /nfs/dbraw/zinc/39/51/56/1196395156.db2.gz QEIZNNUJYVTNBU-INIZCTEOSA-N 0 0 315.360 3.128 20 10 DGCDRN CCC(O)(CC)C(C)(C)C[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001659653000 1196402978 /nfs/dbraw/zinc/40/29/78/1196402978.db2.gz PRWYOATXUTTYLA-UHFFFAOYSA-N 0 0 301.377 3.337 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC001659709846 1196407854 /nfs/dbraw/zinc/40/78/54/1196407854.db2.gz FTGHBNJLQCDXEA-QWHCGFSZSA-N 0 0 311.372 3.309 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC001659756347 1196411521 /nfs/dbraw/zinc/41/15/21/1196411521.db2.gz PFGLMZYTJMYIGY-SWLSCSKDSA-N 0 0 316.367 3.213 20 10 DGCDRN CC(=O)c1ccc(NC(=O)N2Cc3cccc(O)c3C2)cc1C ZINC001659978515 1196434269 /nfs/dbraw/zinc/43/42/69/1196434269.db2.gz LQDNHSFTBKZNRS-UHFFFAOYSA-N 0 0 310.353 3.451 20 10 DGCDRN CCC(=O)c1cccc(NC(=O)NCc2c(O)cccc2F)c1 ZINC001660061000 1196441838 /nfs/dbraw/zinc/44/18/38/1196441838.db2.gz UUXOFGBSSNAMDL-UHFFFAOYSA-N 0 0 316.332 3.446 20 10 DGCDRN COc1cccc2c1nc(NCc1cc(F)ccc1O)n2C ZINC001660283589 1196466265 /nfs/dbraw/zinc/46/62/65/1196466265.db2.gz AWWFIIRHOWNYMY-UHFFFAOYSA-N 0 0 301.321 3.039 20 10 DGCDRN COC(=O)c1c[nH]c2cc(NCc3cc(F)ccc3O)ccc21 ZINC001660304725 1196468773 /nfs/dbraw/zinc/46/87/73/1196468773.db2.gz LBOQXNULMXNLHQ-UHFFFAOYSA-N 0 0 314.316 3.411 20 10 DGCDRN CN(C)c1ccc(/C=C/C[NH2+]Cc2c([O-])cccc2F)cc1 ZINC001660743143 1196518356 /nfs/dbraw/zinc/51/83/56/1196518356.db2.gz XBGZNKQDUPPKCV-SNAWJCMRSA-N 0 0 300.377 3.400 20 10 DGCDRN COC(=O)CCC1([NH2+]Cc2cccc(F)c2[O-])CCCCC1 ZINC001660767120 1196521938 /nfs/dbraw/zinc/52/19/38/1196521938.db2.gz ZWQJVBVDFODJJB-UHFFFAOYSA-N 0 0 309.381 3.277 20 10 DGCDRN COc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC001661183960 1196577040 /nfs/dbraw/zinc/57/70/40/1196577040.db2.gz SHXFLCCRTXHJAF-LLVKDONJSA-N 0 0 302.330 3.160 20 10 DGCDRN CCCOCCOC(=O)NCc1ccc(N(CC)CC)cc1 ZINC001661475913 1196609992 /nfs/dbraw/zinc/60/99/92/1196609992.db2.gz FMAHZUPVJSUTMR-UHFFFAOYSA-N 0 0 308.422 3.186 20 10 DGCDRN Cc1ccc2ncc(C[NH2+]Cc3cccc(Cl)c3[O-])n2c1 ZINC001663442438 1196869206 /nfs/dbraw/zinc/86/92/06/1196869206.db2.gz PTIYOTSISWXLKS-UHFFFAOYSA-N 0 0 301.777 3.292 20 10 DGCDRN CSc1cc(NC(=O)NCc2cc(Cl)ccc2O)ccn1 ZINC001663514799 1196892262 /nfs/dbraw/zinc/89/22/62/1196892262.db2.gz HTYSWFKFTYOKSC-UHFFFAOYSA-N 0 0 323.805 3.484 20 10 DGCDRN COc1ccc(C[C@H]2CC[N@@H+]2Cc2cc(F)cc(F)c2[O-])cc1 ZINC001663799371 1196946293 /nfs/dbraw/zinc/94/62/93/1196946293.db2.gz MSTSFWKPPBIGPN-OAHLLOKOSA-N 0 0 319.351 3.496 20 10 DGCDRN COC(=O)[C@H](c1ccccc1)N(C)Cc1ccc(Cl)cc1O ZINC001663915921 1196957837 /nfs/dbraw/zinc/95/78/37/1196957837.db2.gz GFSRXSSEUUMWMI-INIZCTEOSA-N 0 0 319.788 3.392 20 10 DGCDRN O=C1NCCN1c1cccc(NCc2ccc(Cl)cc2O)c1 ZINC001663974860 1196962092 /nfs/dbraw/zinc/96/20/92/1196962092.db2.gz ZSZIZEMRZGPSBK-UHFFFAOYSA-N 0 0 317.776 3.187 20 10 DGCDRN COC(=O)COc1ccc(N(C)Cc2cccc(C)c2F)cc1 ZINC001664269563 1196985577 /nfs/dbraw/zinc/98/55/77/1196985577.db2.gz DPCFWBHLQIVVAR-UHFFFAOYSA-N 0 0 317.360 3.322 20 10 DGCDRN O=C(Nc1cccc(-n2cccn2)c1)N1Cc2cccc(O)c2C1 ZINC001664959133 1197081480 /nfs/dbraw/zinc/08/14/80/1197081480.db2.gz AMMCHKOFUXCEDO-UHFFFAOYSA-N 0 0 320.352 3.126 20 10 DGCDRN Cc1ccc(O)c(CNS(=O)(=O)CC23CCC(CC2)CC3)c1 ZINC001665128173 1197100430 /nfs/dbraw/zinc/10/04/30/1197100430.db2.gz BKWGDLPCCROUFF-UHFFFAOYSA-N 0 0 323.458 3.090 20 10 DGCDRN Oc1cccc2c1CN(Cc1ncc(Br)cc1F)C2 ZINC001665507144 1197145513 /nfs/dbraw/zinc/14/55/13/1197145513.db2.gz QYFVJYMHOZQFTL-UHFFFAOYSA-N 0 0 323.165 3.205 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H](CO)CCc1ccccc1 ZINC001665688205 1197171556 /nfs/dbraw/zinc/17/15/56/1197171556.db2.gz NDRPUYZWUXFKKT-AWEZNQCLSA-N 0 0 323.795 3.268 20 10 DGCDRN CCc1cccc(CN2CCn3nc(C(C)(C)C)cc3C2)c1O ZINC001665809946 1197200890 /nfs/dbraw/zinc/20/08/90/1197200890.db2.gz XYECYRNEKXJPIV-UHFFFAOYSA-N 0 0 313.445 3.464 20 10 DGCDRN CC(C)(C)OC(=O)C1CC([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC001665879600 1197210536 /nfs/dbraw/zinc/21/05/36/1197210536.db2.gz FBYGBTXASREUOP-UHFFFAOYSA-N 0 0 311.809 3.256 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2CCc3c2cccc3C)c1 ZINC001668632352 1197422544 /nfs/dbraw/zinc/42/25/44/1197422544.db2.gz OWMIOUFCGMXKNX-KRWDZBQOSA-N 0 0 310.397 3.496 20 10 DGCDRN CC(C)O[C@@H]1C[C@@H](NC(=O)N[C@@H](C)c2ccccc2O)C1(C)C ZINC001671411297 1197538768 /nfs/dbraw/zinc/53/87/68/1197538768.db2.gz SRCZIGICWKOSAW-APHBMKBZSA-N 0 0 320.433 3.345 20 10 DGCDRN O=C(Nc1cncc(C(F)F)c1)N1Cc2cccc(O)c2C1 ZINC001672568414 1197617777 /nfs/dbraw/zinc/61/77/77/1197617777.db2.gz KBHZQDZUXGFJDP-UHFFFAOYSA-N 0 0 305.284 3.273 20 10 DGCDRN C=Cc1ccc(CCNC(=O)NCc2cc(C)ccc2O)cc1 ZINC001672973429 1197632479 /nfs/dbraw/zinc/63/24/79/1197632479.db2.gz HOYHKKBZITZCCO-UHFFFAOYSA-N 0 0 310.397 3.386 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@]12C[C@H]1CCC2 ZINC001673744522 1197689564 /nfs/dbraw/zinc/68/95/64/1197689564.db2.gz NBDBGGDUSWZEGH-ZSZQSSIHSA-N 0 0 315.461 3.234 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCc2ccc(Cl)cc2)c1 ZINC001674011054 1197720160 /nfs/dbraw/zinc/72/01/60/1197720160.db2.gz CEHPJXXUPCJQMX-UHFFFAOYSA-N 0 0 304.777 3.353 20 10 DGCDRN COc1cccc(CNC(=O)NCc2cc(Cl)ccc2O)c1 ZINC001675749956 1198133072 /nfs/dbraw/zinc/13/30/72/1198133072.db2.gz HJPGUQUWSNWABV-UHFFFAOYSA-N 0 0 320.776 3.054 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC2CCC=CCC2)cc1F ZINC001676247021 1198260298 /nfs/dbraw/zinc/26/02/98/1198260298.db2.gz GYRVARPKBKVTON-UHFFFAOYSA-N 0 0 305.397 3.190 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N(C2CC2)C2CC2)cc1 ZINC001677374141 1198524657 /nfs/dbraw/zinc/52/46/57/1198524657.db2.gz URSVLWIRGFSZJJ-UHFFFAOYSA-N 0 0 301.434 3.369 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CCC[C@@H]1C ZINC001678493354 1198690241 /nfs/dbraw/zinc/69/02/41/1198690241.db2.gz KCDBMHXORJZYSM-YEWWUXTCSA-N 0 0 317.477 3.480 20 10 DGCDRN Cc1cccc(C)c1CCNC(=O)NCc1c(O)cccc1F ZINC001678753780 1198723257 /nfs/dbraw/zinc/72/32/57/1198723257.db2.gz UEYHJDRCHXTUMK-UHFFFAOYSA-N 0 0 316.376 3.190 20 10 DGCDRN COC[C@@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC001681551017 1199033487 /nfs/dbraw/zinc/03/34/87/1199033487.db2.gz BOOJHGHZEXKCBE-GOEBONIOSA-N 0 0 321.465 3.031 20 10 DGCDRN Cc1cc(CNC(=O)NCCF)c(C)n1-c1cccc(C)c1 ZINC001683303267 1199256462 /nfs/dbraw/zinc/25/64/62/1199256462.db2.gz LHCIEERWXJKLQV-UHFFFAOYSA-N 0 0 303.381 3.171 20 10 DGCDRN CCC[C@@H]1CCCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001683336666 1199260559 /nfs/dbraw/zinc/26/05/59/1199260559.db2.gz ODULCKZQAUGUQW-CQSZACIVSA-N 0 0 307.413 3.366 20 10 DGCDRN CC[C@@H](C)CCNC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001686998037 1199610324 /nfs/dbraw/zinc/61/03/24/1199610324.db2.gz IVCYOJVCESOOIR-OAHLLOKOSA-N 0 0 321.465 3.209 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C)CCC(F)(F)F ZINC000115854235 1199768350 /nfs/dbraw/zinc/76/83/50/1199768350.db2.gz RBAANSXTCMYFGQ-UHFFFAOYSA-N 0 0 317.355 3.155 20 10 DGCDRN CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1[C@H]1C[C@H]1C ZINC001692079816 1200923616 /nfs/dbraw/zinc/92/36/16/1200923616.db2.gz FZBZRZDRLKAYDN-HIFRSBDPSA-N 0 0 314.433 3.400 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)c3ccccc3C)CC2)cc1 ZINC000244184976 1203609993 /nfs/dbraw/zinc/60/99/93/1203609993.db2.gz VLGODHSDHIFYDH-UHFFFAOYSA-N 0 0 324.424 3.356 20 10 DGCDRN CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(C(=O)[O-])c1 ZINC001589736576 950542847 /nfs/dbraw/zinc/54/28/47/950542847.db2.gz CAJYYFKBGODDRC-UHFFFAOYSA-N 0 0 312.413 3.473 20 10 DGCDRN Cc1cc(C[NH2+][C@H](C(=O)[O-])c2ccc(F)cc2)ccc1N(C)C ZINC001574330220 960871930 /nfs/dbraw/zinc/87/19/30/960871930.db2.gz OZMBIFYYLGJTQN-KRWDZBQOSA-N 0 0 316.376 3.116 20 10 DGCDRN Cc1cc(C[NH2+][C@@](C)(C(=O)[O-])c2ccccc2)ccc1N(C)C ZINC001605173010 972880620 /nfs/dbraw/zinc/88/06/20/972880620.db2.gz QQTFLZAGJXZUMR-LJQANCHMSA-N 0 0 312.413 3.151 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C1CCC(C(=O)[O-])CC1 ZINC001605186411 972900474 /nfs/dbraw/zinc/90/04/74/972900474.db2.gz CLMTZBJOKMIWMY-HPUBIQBYSA-N 0 0 318.461 3.225 20 10 DGCDRN CC(C)O[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)C1(C)C ZINC001591695726 975524235 /nfs/dbraw/zinc/52/42/35/975524235.db2.gz JNQOHXGHWZNAHJ-HFBAOOFYSA-N 0 0 321.417 3.333 20 10 DGCDRN CCC[N@H+](Cc1cc(C(=O)[O-])c(CC)[nH]1)Cc1ccccc1O ZINC001595885996 982913167 /nfs/dbraw/zinc/91/31/67/982913167.db2.gz RKMNAGALZXJGCY-UHFFFAOYSA-N 0 0 316.401 3.393 20 10 DGCDRN CC(C)(C(=O)[O-])[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccccc1 ZINC001589601206 987425602 /nfs/dbraw/zinc/42/56/02/987425602.db2.gz ISLBQPSJHRDFOK-INIZCTEOSA-N 0 0 317.360 3.473 20 10 DGCDRN CCc1cccc(C[N@@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])c1O ZINC001597586210 988401497 /nfs/dbraw/zinc/40/14/97/988401497.db2.gz ASQKKMJEPOBSSZ-QGZVFWFLSA-N 0 0 311.381 3.139 20 10 DGCDRN CN(C)c1ccc(C[N@H+](C)Cc2csc(C(=O)[O-])c2)cc1 ZINC001598519047 992655898 /nfs/dbraw/zinc/65/58/98/992655898.db2.gz FQTBMTXYPIGZJT-UHFFFAOYSA-N 0 0 304.415 3.144 20 10 DGCDRN COc1ccc(O)c([C@H](C)[NH2+][C@H](C(=O)[O-])c2ccccc2C)c1 ZINC001599598815 993785682 /nfs/dbraw/zinc/78/56/82/993785682.db2.gz UOGDYZXQZPFCMF-SJCJKPOMSA-N 0 0 315.369 3.186 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1cc(C(=O)[O-])ccc1O ZINC001593234252 994398786 /nfs/dbraw/zinc/39/87/86/994398786.db2.gz WSECLDSJYSEOBM-TZMCWYRMSA-N 0 0 319.401 3.233 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(Cl)cc1O)c1ncc(C(=O)[O-])s1 ZINC001593300068 994727864 /nfs/dbraw/zinc/72/78/64/994727864.db2.gz ZOKWXCYTRKHSBO-ZETCQYMHSA-N 0 0 312.778 3.051 20 10 DGCDRN CO[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000687217329 1103083224 /nfs/dbraw/zinc/08/32/24/1103083224.db2.gz RHTGBGQYNYEDIA-ZYHUDNBSSA-N 0 0 314.223 3.154 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001625798201 1081630946 /nfs/dbraw/zinc/63/09/46/1081630946.db2.gz XWPCTMXJVZETTP-BKPSIGNASA-N 0 0 312.457 3.393 20 10 DGCDRN CC(C)(C)C(=O)Nc1ccc(NCc2ccc(O)c(O)c2)cn1 ZINC001169992355 1081795888 /nfs/dbraw/zinc/79/58/88/1081795888.db2.gz DFAMLLBWWWPGFH-UHFFFAOYSA-N 0 0 315.373 3.090 20 10 DGCDRN CC(C)[S@@](=O)c1ccc(NCc2ccc(O)c(O)c2)cc1 ZINC001169994466 1081815246 /nfs/dbraw/zinc/81/52/46/1081815246.db2.gz AYAVSFJTDXAEBC-OAQYLSRUSA-N 0 0 305.399 3.226 20 10 DGCDRN Cc1ccc(C(=O)NC[C@H]2C[C@@H]2Cc2ccccc2)c(O)c1O ZINC001648797934 1081818142 /nfs/dbraw/zinc/81/81/42/1081818142.db2.gz KWMUCMTUTDUORY-LSDHHAIUSA-N 0 0 311.381 3.015 20 10 DGCDRN Cc1noc(-c2ccc(NCc3ccc(O)c(O)c3)cc2)c1N ZINC001169997111 1081821859 /nfs/dbraw/zinc/82/18/59/1081821859.db2.gz REDZPYLQZHTSPY-UHFFFAOYSA-N 0 0 311.341 3.256 20 10 DGCDRN Oc1cccc(Br)c1C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001140101602 1081840736 /nfs/dbraw/zinc/84/07/36/1081840736.db2.gz UWVLOMHRBQZGCI-HOTUBEGUSA-N 0 0 300.171 3.087 20 10 DGCDRN CCN(CC)c1cc(N(C)Cc2ccc(N(C)C)cc2)ncn1 ZINC001156920948 1081925279 /nfs/dbraw/zinc/92/52/79/1081925279.db2.gz MKJAPENPWSSIAD-UHFFFAOYSA-N 0 0 313.449 3.025 20 10 DGCDRN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H](C)c1ccccc1O ZINC001648890003 1081954116 /nfs/dbraw/zinc/95/41/16/1081954116.db2.gz WBIDXXRPPAWPMJ-SNVBAGLBSA-N 0 0 318.304 3.239 20 10 DGCDRN Cc1noc(-c2ccccc2C(=O)N[C@H](C)c2ccccc2O)n1 ZINC001648890093 1081954478 /nfs/dbraw/zinc/95/44/78/1081954478.db2.gz ZKHGNTYYQVZWSF-LLVKDONJSA-N 0 0 323.352 3.242 20 10 DGCDRN C[C@H](NC(=O)C1=Cc2cc(F)ccc2OC1)c1ccccc1O ZINC001648892363 1081955526 /nfs/dbraw/zinc/95/55/26/1081955526.db2.gz XKHWVPIXVGOXDW-NSHDSACASA-N 0 0 313.328 3.185 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(-c2cnco2)cc1 ZINC000588403919 1082147618 /nfs/dbraw/zinc/14/76/18/1082147618.db2.gz IIKZXHFPLIAXTI-WAPJZHGLSA-N 0 0 322.320 3.405 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc(Cl)s1 ZINC000588405340 1082150324 /nfs/dbraw/zinc/15/03/24/1082150324.db2.gz DAGXIGIEPINIPV-KXFIGUGUSA-N 0 0 309.774 3.142 20 10 DGCDRN Cc1ccccc1C[C@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588405931 1082151423 /nfs/dbraw/zinc/15/14/23/1082151423.db2.gz HIGRXCFKUSIQEN-GDAGCXPBSA-N 0 0 311.381 3.167 20 10 DGCDRN Cc1ccccc1C[C@@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588405932 1082151727 /nfs/dbraw/zinc/15/17/27/1082151727.db2.gz HIGRXCFKUSIQEN-QQBNSCQMSA-N 0 0 311.381 3.167 20 10 DGCDRN C[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@@H]1c1ccccc1 ZINC000588405837 1082151878 /nfs/dbraw/zinc/15/18/78/1082151878.db2.gz VICGHQFUCQZQKK-PORJGFHNSA-N 0 0 309.365 3.331 20 10 DGCDRN CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])C1(C)C ZINC001167491009 1082286777 /nfs/dbraw/zinc/28/67/77/1082286777.db2.gz KJKUOQXQQGBWBY-QAPCUYQASA-N 0 0 323.408 3.369 20 10 DGCDRN O=C(CNc1ccc2[nH]c(C3CC3)cc2n1)c1ccc(O)c(O)c1 ZINC001170316187 1082344734 /nfs/dbraw/zinc/34/47/34/1082344734.db2.gz NXDQLGNQJXIFDZ-UHFFFAOYSA-N 0 0 323.352 3.146 20 10 DGCDRN Cc1c(F)c(F)cc(NCC(=O)c2ccc(O)c(O)c2)c1F ZINC001170322183 1082346381 /nfs/dbraw/zinc/34/63/81/1082346381.db2.gz GLEIOONRQXFERF-UHFFFAOYSA-N 0 0 311.259 3.118 20 10 DGCDRN O=C(/C=C\c1ccc(O)cc1)NCCCSc1nccs1 ZINC000588465659 1082364123 /nfs/dbraw/zinc/36/41/23/1082364123.db2.gz UEILXYBGEJFINZ-DAXSKMNVSA-N 0 0 320.439 3.161 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)C[C@@H]2C=CCCC2)cc1 ZINC001130544534 1082590949 /nfs/dbraw/zinc/59/09/49/1082590949.db2.gz RCWOGWQQQAIOMO-MRXNPFEDSA-N 0 0 316.445 3.336 20 10 DGCDRN Cc1ncc(/C=C/C(=O)N2CCOc3c(F)cc(F)cc32)s1 ZINC001130638255 1082601850 /nfs/dbraw/zinc/60/18/50/1082601850.db2.gz HVJYXKMUGHTXQO-NSCUHMNNSA-N 0 0 322.336 3.169 20 10 DGCDRN Cc1cc(C)c2c(c1)N(C(=O)/C=C/c1cncc(F)c1)CCO2 ZINC001130700048 1082607626 /nfs/dbraw/zinc/60/76/26/1082607626.db2.gz OADDEIZIUBWAFB-ONEGZZNKSA-N 0 0 312.344 3.276 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(F)nn2)cc1 ZINC001131422586 1082670381 /nfs/dbraw/zinc/67/03/81/1082670381.db2.gz DICBCAACCZHPOP-UHFFFAOYSA-N 0 0 310.332 3.276 20 10 DGCDRN Cc1cc(CNC(=O)c2nccs2)c(C)n1-c1ccccc1 ZINC001132268017 1082861846 /nfs/dbraw/zinc/86/18/46/1082861846.db2.gz RGHFHOZLUHBFNX-UHFFFAOYSA-N 0 0 311.410 3.481 20 10 DGCDRN C[C@H]1C[C@@H](NC(=O)CCc2ccc(O)c(O)c2)CC(C)(C)C1 ZINC001182155123 1083634804 /nfs/dbraw/zinc/63/48/04/1083634804.db2.gz CNQFRFWRCPQOPF-GXTWGEPZSA-N 0 0 305.418 3.361 20 10 DGCDRN C[C@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)CCc1ccc(O)c(O)c1)C2(C)C ZINC001182157143 1083636369 /nfs/dbraw/zinc/63/63/69/1083636369.db2.gz IFXHBAKXAVYSTD-SPWCGHHHSA-N 0 0 317.429 3.217 20 10 DGCDRN Cn1c(CC(=O)N2CCc3cccc(O)c3C2)cc2ccccc21 ZINC001182264806 1083666848 /nfs/dbraw/zinc/66/68/48/1083666848.db2.gz RGJICLDAQPDQOV-UHFFFAOYSA-N 0 0 320.392 3.011 20 10 DGCDRN C[N@H+](Cc1cc(F)c(F)cc1[O-])C[C@@](C)(O)c1ccccc1 ZINC001182497778 1083734054 /nfs/dbraw/zinc/73/40/54/1083734054.db2.gz DRJWAKOJNQDPGC-QGZVFWFLSA-N 0 0 307.340 3.010 20 10 DGCDRN CCOc1ccc(NCc2c(C)cc(OC)cc2O)nc1C ZINC001183044243 1083860730 /nfs/dbraw/zinc/86/07/30/1083860730.db2.gz AMHNQQNIDZYBHN-UHFFFAOYSA-N 0 0 302.374 3.423 20 10 DGCDRN Oc1cccc2c1CN(Cc1c(F)cncc1Br)C2 ZINC001183455152 1083951007 /nfs/dbraw/zinc/95/10/07/1083951007.db2.gz QAMQQUQWYZPGLP-UHFFFAOYSA-N 0 0 323.165 3.205 20 10 DGCDRN O=C(C1CCC2(CC2)CC1)N1CCCc2cc(O)c(O)cc2C1 ZINC001183882495 1084050708 /nfs/dbraw/zinc/05/07/08/1084050708.db2.gz VRDBFHVBWJSJFG-UHFFFAOYSA-N 0 0 315.413 3.343 20 10 DGCDRN CC[C@H](C)C(=O)C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001184322505 1084158587 /nfs/dbraw/zinc/15/85/87/1084158587.db2.gz QKBXPPPFNLSMOV-AWEZNQCLSA-N 0 0 310.397 3.417 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)C(=O)CC(C)C ZINC001184331887 1084161227 /nfs/dbraw/zinc/16/12/27/1084161227.db2.gz DULAWKZURGTLHM-QGZVFWFLSA-N 0 0 317.429 3.364 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(O)c(C(=O)NCc2ccc[nH]2)c1 ZINC001186849265 1084707544 /nfs/dbraw/zinc/70/75/44/1084707544.db2.gz KZLRXUPFSSUQNO-UHFFFAOYSA-N 0 0 309.369 3.058 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(O)c(C(=O)NCC(C)(F)F)c1 ZINC001186827218 1084709678 /nfs/dbraw/zinc/70/96/78/1084709678.db2.gz RMGWRCLHAVXQEA-UHFFFAOYSA-N 0 0 308.328 3.185 20 10 DGCDRN Cc1ccc(C(=O)NCC(F)(F)c2ccccc2C)c(O)c1O ZINC001167973913 1085917572 /nfs/dbraw/zinc/91/75/72/1085917572.db2.gz WYBZTBOSGIWVIZ-UHFFFAOYSA-N 0 0 321.323 3.236 20 10 DGCDRN Oc1cc(O)c(CCNc2ccc(F)c3cnccc23)cc1O ZINC001168005287 1086146667 /nfs/dbraw/zinc/14/66/67/1086146667.db2.gz DNERAPXUUDLBSH-UHFFFAOYSA-N 0 0 314.316 3.145 20 10 DGCDRN Oc1cc(O)c(CCNc2nccc3sccc32)cc1O ZINC001168009407 1086178679 /nfs/dbraw/zinc/17/86/79/1086178679.db2.gz HYQAQRYNDRHMBK-UHFFFAOYSA-N 0 0 302.355 3.068 20 10 DGCDRN COc1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1SC ZINC001141984372 1086622168 /nfs/dbraw/zinc/62/21/68/1086622168.db2.gz LIHWHULWQNMFPI-UHFFFAOYSA-N 0 0 319.382 3.389 20 10 DGCDRN Oc1cc(F)c(F)cc1CN1CCc2ncc(Cl)cc2C1 ZINC001142527194 1087278218 /nfs/dbraw/zinc/27/82/18/1087278218.db2.gz NUQWNBONNIQUNL-UHFFFAOYSA-N 0 0 310.731 3.277 20 10 DGCDRN CC(C)C1(C(=O)N2CCCc3cc(O)c(O)cc3C2)CCC1 ZINC001142650556 1087396891 /nfs/dbraw/zinc/39/68/91/1087396891.db2.gz CKFODIFVMNEWHM-UHFFFAOYSA-N 0 0 303.402 3.199 20 10 DGCDRN COc1cc(O)c(CN2CC3(C2)C[C@@H](F)CS3)cc1Cl ZINC001232269206 1087588554 /nfs/dbraw/zinc/58/85/54/1087588554.db2.gz SVECTXVHSNEBKS-SNVBAGLBSA-N 0 0 317.813 3.084 20 10 DGCDRN COc1cc(O)c(CN2CC[C@@](C)(F)[C@H](F)C2)cc1Cl ZINC001232267106 1087588596 /nfs/dbraw/zinc/58/85/96/1087588596.db2.gz WJGINZJBLOHJAD-ZIAGYGMSSA-N 0 0 305.752 3.326 20 10 DGCDRN C[C@H]1CN(Cc2cc(Cl)ccc2O)C[C@@](C)(C(F)F)O1 ZINC000698930094 1087708279 /nfs/dbraw/zinc/70/82/79/1087708279.db2.gz YRDBZNBOBKENDQ-XPTSAGLGSA-N 0 0 305.752 3.290 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2C[C@@H]3CCCC[C@H]3C2)cc1 ZINC000176398783 1087723983 /nfs/dbraw/zinc/72/39/83/1087723983.db2.gz WHUZDXDYNDJOQV-HOTGVXAUSA-N 0 0 301.434 3.084 20 10 DGCDRN Cc1nnc(-c2ccccc2C(=O)N[C@H](C)c2ccccc2O)o1 ZINC001151886082 1087810471 /nfs/dbraw/zinc/81/04/71/1087810471.db2.gz UJMGBFARLWNQSG-LLVKDONJSA-N 0 0 323.352 3.242 20 10 DGCDRN Cc1nc2ccc(C(=O)N[C@@H](C)c3ccccc3O)cc2n1C ZINC001151891821 1087814318 /nfs/dbraw/zinc/81/43/18/1087814318.db2.gz ADKMVINIIQYSBS-NSHDSACASA-N 0 0 309.369 3.078 20 10 DGCDRN C[C@H](NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1ccccc1O ZINC001151892667 1087815425 /nfs/dbraw/zinc/81/54/25/1087815425.db2.gz VJXOAEGNRYOCSQ-QFYYESIMSA-N 0 0 317.772 3.227 20 10 DGCDRN O=C(c1cccc2cc(O)ccc21)N1CCc2cccc(O)c2C1 ZINC001152041901 1087881794 /nfs/dbraw/zinc/88/17/94/1087881794.db2.gz RHUMFDIVGPOREH-UHFFFAOYSA-N 0 0 319.360 3.450 20 10 DGCDRN O=C(NCc1ccccc1O)c1cc2ccc3cccnc3c2[nH]1 ZINC001152305849 1087943086 /nfs/dbraw/zinc/94/30/86/1087943086.db2.gz FGODPOOYBNCFKZ-UHFFFAOYSA-N 0 0 317.348 3.352 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2ccncc2[nH]1 ZINC001152581474 1088008200 /nfs/dbraw/zinc/00/82/00/1088008200.db2.gz AUZKQUMLPZDFEA-UHFFFAOYSA-N 0 0 322.412 3.291 20 10 DGCDRN O=C(NCc1ccccc1O)c1nc2c(cccc2F)s1 ZINC001152631914 1088025930 /nfs/dbraw/zinc/02/59/30/1088025930.db2.gz YXKLVENNIRBQHB-UHFFFAOYSA-N 0 0 302.330 3.071 20 10 DGCDRN CN(C(=O)Cc1ccc(O)c(O)c1)c1ccc(F)c(Cl)c1 ZINC001152823761 1088090478 /nfs/dbraw/zinc/09/04/78/1088090478.db2.gz DXXUBOIQTAIZJK-UHFFFAOYSA-N 0 0 309.724 3.096 20 10 DGCDRN CN(Cc1ccc2cc[nH]c2c1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001152822745 1088090819 /nfs/dbraw/zinc/09/08/19/1088090819.db2.gz CMHRFICCLAWATJ-DAXSKMNVSA-N 0 0 322.364 3.251 20 10 DGCDRN O=C(Nc1ccc2[nH]c(=O)n(C3CC3)c2c1)C1=CC(=O)CS1 ZINC001152901795 1088107157 /nfs/dbraw/zinc/10/71/57/1088107157.db2.gz JVKVOKYHENBNCF-UHFFFAOYSA-N 0 0 315.354 3.096 20 10 DGCDRN COC(=O)c1cc2ccccc2c(NCc2ccc(O)c(O)c2)n1 ZINC001158997341 1088126055 /nfs/dbraw/zinc/12/60/55/1088126055.db2.gz CYFHDOUJZZMYKN-UHFFFAOYSA-N 0 0 324.336 3.045 20 10 DGCDRN Cc1nc2c(nc(Cl)nc2NCc2ccc(O)c(O)c2)s1 ZINC001158995652 1088126806 /nfs/dbraw/zinc/12/68/06/1088126806.db2.gz KTDLYPRLDUDFFA-UHFFFAOYSA-N 0 0 322.777 3.071 20 10 DGCDRN CCc1nc2sccc2c(NCc2ccc(O)c(O)c2)n1 ZINC001159004161 1088132702 /nfs/dbraw/zinc/13/27/02/1088132702.db2.gz FVARTFXILBBMQO-UHFFFAOYSA-N 0 0 301.371 3.277 20 10 DGCDRN O=C(CCc1ccc(O)cc1)NCc1cccc(Cl)c1O ZINC001159041710 1088155155 /nfs/dbraw/zinc/15/51/55/1088155155.db2.gz YYBMGCRKTFOQKN-UHFFFAOYSA-N 0 0 305.761 3.000 20 10 DGCDRN O=C(CNc1ccc2ccc(F)cc2n1)c1ccc(O)c(O)c1 ZINC001159280542 1088266888 /nfs/dbraw/zinc/26/68/88/1088266888.db2.gz WRHKPKWLMRSQFV-UHFFFAOYSA-N 0 0 312.300 3.080 20 10 DGCDRN Cc1cc(Cl)c(C)nc1NCC(=O)c1ccc(O)c(O)c1 ZINC001159279187 1088268369 /nfs/dbraw/zinc/26/83/69/1088268369.db2.gz LATVOQKGXRWWLH-UHFFFAOYSA-N 0 0 306.749 3.058 20 10 DGCDRN Cc1ccoc1CN(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001159473655 1088360921 /nfs/dbraw/zinc/36/09/21/1088360921.db2.gz NRMNMVLIODXJGR-UHFFFAOYSA-N 0 0 317.366 3.486 20 10 DGCDRN C[C@@H](CCc1ccccc1F)C(=O)NCc1cc(O)ccc1O ZINC001153884394 1088395589 /nfs/dbraw/zinc/39/55/89/1088395589.db2.gz DHNGEFSDWGIUEQ-LBPRGKRZSA-N 0 0 317.360 3.122 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)[C@@H]1CCc2c1cccc2Cl ZINC001153884300 1088396002 /nfs/dbraw/zinc/39/60/02/1088396002.db2.gz BIHKGKKTOCGNSX-CQSZACIVSA-N 0 0 317.772 3.097 20 10 DGCDRN O=C(CCCc1c(F)cccc1F)NCc1cc(O)ccc1O ZINC001153886082 1088396184 /nfs/dbraw/zinc/39/61/84/1088396184.db2.gz VORKUOYQURHKPJ-UHFFFAOYSA-N 0 0 321.323 3.015 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)C(F)(F)F)c1 ZINC001123669070 1088537484 /nfs/dbraw/zinc/53/74/84/1088537484.db2.gz KOKMMBYMVXRURH-QMMMGPOBSA-N 0 0 305.296 3.167 20 10 DGCDRN Oc1cc2ccccc2cc1CNc1ncnc2cnccc21 ZINC001160207729 1088696972 /nfs/dbraw/zinc/69/69/72/1088696972.db2.gz XNDPLSWWVNHUQY-UHFFFAOYSA-N 0 0 302.337 3.496 20 10 DGCDRN C[C@H]1C(=O)Nc2ncnc(NCc3cc4ccccc4cc3O)c21 ZINC001160207506 1088697296 /nfs/dbraw/zinc/69/72/96/1088697296.db2.gz STGGNXMKVJTSGN-SNVBAGLBSA-N 0 0 320.352 3.003 20 10 DGCDRN NC(=S)Nc1ccc(NCc2cc3ccccc3cc2O)nc1 ZINC001160207055 1088697373 /nfs/dbraw/zinc/69/73/73/1088697373.db2.gz URDWHUHEIYHLNL-UHFFFAOYSA-N 0 0 324.409 3.208 20 10 DGCDRN CCN(Cc1ccccc1O)c1ncccc1C(=O)OC(C)C ZINC001154890991 1088812879 /nfs/dbraw/zinc/81/28/79/1088812879.db2.gz ZGLONYKXJADQKV-UHFFFAOYSA-N 0 0 314.385 3.379 20 10 DGCDRN CCN(Cc1ccccc1O)c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001154890342 1088813405 /nfs/dbraw/zinc/81/34/05/1088813405.db2.gz WBEADUHDSJTFHM-UHFFFAOYSA-N 0 0 307.737 3.375 20 10 DGCDRN CCN(Cc1ccccc1O)c1ncnc(-c2cccc(F)c2)n1 ZINC001154890685 1088813564 /nfs/dbraw/zinc/81/35/64/1088813564.db2.gz JNTZYESMKFYLLH-UHFFFAOYSA-N 0 0 324.359 3.410 20 10 DGCDRN CCN(Cc1ccccc1O)c1ncnc2ccc(OC)cc21 ZINC001154890388 1088813649 /nfs/dbraw/zinc/81/36/49/1088813649.db2.gz YFGXRAXOTXBYMH-UHFFFAOYSA-N 0 0 309.369 3.371 20 10 DGCDRN CCN(Cc1ccccc1O)c1nc(Cl)nc2cccnc21 ZINC001154890124 1088814298 /nfs/dbraw/zinc/81/42/98/1088814298.db2.gz PXVNVGKXBOOJRS-UHFFFAOYSA-N 0 0 314.776 3.410 20 10 DGCDRN Cc1cccc(CNc2ncnc3cc4c(cc32)OCCO4)c1O ZINC001160764183 1088948128 /nfs/dbraw/zinc/94/81/28/1088948128.db2.gz DSZTWBMSIWKTBD-UHFFFAOYSA-N 0 0 323.352 3.027 20 10 DGCDRN Cc1cccc(CNc2ncnc(-c3cccc(F)c3)n2)c1O ZINC001160769549 1088950172 /nfs/dbraw/zinc/95/01/72/1088950172.db2.gz IKWZZUHPLNDLFK-UHFFFAOYSA-N 0 0 310.332 3.304 20 10 DGCDRN Cc1cccc(CNc2ncnc3ccc([N+](=O)[O-])cc32)c1O ZINC001160770386 1088950259 /nfs/dbraw/zinc/95/02/59/1088950259.db2.gz ZNFLKRBGMRCXKD-UHFFFAOYSA-N 0 0 310.313 3.164 20 10 DGCDRN Cc1cccc(CNc2nc(Cl)nc3cccnc32)c1O ZINC001160770182 1088950966 /nfs/dbraw/zinc/95/09/66/1088950966.db2.gz VRQXSSNWTNUAJH-UHFFFAOYSA-N 0 0 300.749 3.304 20 10 DGCDRN COC(=O)c1ccnc(NCc2c(C)cc(C)cc2O)c1C ZINC001160808654 1088975105 /nfs/dbraw/zinc/97/51/05/1088975105.db2.gz WZUGCOWGIWPAQC-UHFFFAOYSA-N 0 0 300.358 3.111 20 10 DGCDRN Cc1cc(C)c(CNc2cc(C)nc(-c3ccncc3)n2)c(O)c1 ZINC001160811719 1088977446 /nfs/dbraw/zinc/97/74/46/1088977446.db2.gz UNYOUAVMZMGGKK-UHFFFAOYSA-N 0 0 320.396 3.203 20 10 DGCDRN C[C@@H]1CCC[C@@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001155458415 1089120459 /nfs/dbraw/zinc/12/04/59/1089120459.db2.gz PEMPLZFJMXCNOZ-NXEZZACHSA-N 0 0 305.399 3.479 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2cccc3c2CCCO3)c(O)c1 ZINC001155612491 1089188084 /nfs/dbraw/zinc/18/80/84/1089188084.db2.gz QKVDUNOSKPAARW-UHFFFAOYSA-N 0 0 311.381 3.264 20 10 DGCDRN Cc1nc(N2CCCc3cc(O)c(O)cc3C2)nc(C)c1Cl ZINC001155941498 1089305857 /nfs/dbraw/zinc/30/58/57/1089305857.db2.gz PYBZJJWFRLOUEQ-UHFFFAOYSA-N 0 0 319.792 3.111 20 10 DGCDRN Cc1cccc2c(O)c(C(=O)N[C@H](C)c3ccccc3O)cnc12 ZINC001161736285 1089379340 /nfs/dbraw/zinc/37/93/40/1089379340.db2.gz IKCUDKHAAAFPER-GFCCVEGCSA-N 0 0 322.364 3.033 20 10 DGCDRN CCCC(=O)NCCC1=CCN(c2cnc3ccccc3n2)CC1 ZINC001089804257 1089525954 /nfs/dbraw/zinc/52/59/54/1089525954.db2.gz AJKWYSVNZALCQK-UHFFFAOYSA-N 0 0 324.428 3.073 20 10 DGCDRN CC(C)CCC(=O)NCCC1=CCN(c2cccc(F)n2)CC1 ZINC001089804811 1089527529 /nfs/dbraw/zinc/52/75/29/1089527529.db2.gz UZUNMEBIJBFOCA-UHFFFAOYSA-N 0 0 319.424 3.300 20 10 DGCDRN C[C@H](CCc1ccc(F)cc1)C(=O)NCc1c(O)cccc1O ZINC001156885742 1089731793 /nfs/dbraw/zinc/73/17/93/1089731793.db2.gz MYYJDQYCYFDTDN-GFCCVEGCSA-N 0 0 317.360 3.122 20 10 DGCDRN CN(C)c1ccc(CN(C)c2nc3ccc(Cl)nc3[nH]2)cc1 ZINC001156920754 1089743091 /nfs/dbraw/zinc/74/30/91/1089743091.db2.gz LIKYFYCEAANXBW-UHFFFAOYSA-N 0 0 315.808 3.314 20 10 DGCDRN CN(C)c1ccc(CN(C)c2cc(-c3ccccn3)ncn2)cc1 ZINC001156921000 1089743518 /nfs/dbraw/zinc/74/35/18/1089743518.db2.gz ODLWTADIAGIVIP-UHFFFAOYSA-N 0 0 319.412 3.241 20 10 DGCDRN CN(C)c1ccc(CN(C)c2cc(Cl)nc3nc[nH]c32)cc1 ZINC001156924210 1089746116 /nfs/dbraw/zinc/74/61/16/1089746116.db2.gz RAXNGLKWRZBRPZ-UHFFFAOYSA-N 0 0 315.808 3.314 20 10 DGCDRN Cc1cc(NCCc2cc(O)c(O)cc2O)nc2ccccc12 ZINC001157245483 1089891849 /nfs/dbraw/zinc/89/18/49/1089891849.db2.gz CPDIQIFLIVRDLT-UHFFFAOYSA-N 0 0 310.353 3.315 20 10 DGCDRN CCC1(O)CC[NH+](Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236798686 1089901232 /nfs/dbraw/zinc/90/12/32/1089901232.db2.gz KIHUSHLNIIHAPH-UHFFFAOYSA-N 0 0 304.217 3.436 20 10 DGCDRN CC[C@@H](C)CC(=O)NCCC1=CCN(c2cccc(F)n2)CC1 ZINC001089828572 1089906277 /nfs/dbraw/zinc/90/62/77/1089906277.db2.gz BGRXQHPWHHABEI-CQSZACIVSA-N 0 0 319.424 3.300 20 10 DGCDRN COc1cc(C)c(CN2CC(F)(F)C[C@]2(C)CF)c(O)c1 ZINC001236806694 1089951935 /nfs/dbraw/zinc/95/19/35/1089951935.db2.gz AATYXNUCROHIDQ-CQSZACIVSA-N 0 0 303.324 3.278 20 10 DGCDRN Nc1ccc(CNC(F)(F)COc2ccnc(Cl)c2)cc1 ZINC001162785590 1089955665 /nfs/dbraw/zinc/95/56/65/1089955665.db2.gz IUKYYDGFNGDICN-UHFFFAOYSA-N 0 0 313.735 3.079 20 10 DGCDRN COc1ccnc(NCc2cc(Cl)c3cccnc3c2O)n1 ZINC001157724623 1090088544 /nfs/dbraw/zinc/08/85/44/1090088544.db2.gz PKLXLMQUZGYNTR-UHFFFAOYSA-N 0 0 316.748 3.005 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC001163163263 1090096149 /nfs/dbraw/zinc/09/61/49/1090096149.db2.gz RZKOATBGYFPVQG-GDBMZVCRSA-N 0 0 322.368 3.383 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1nccc2ccccc21 ZINC001157880750 1090138270 /nfs/dbraw/zinc/13/82/70/1090138270.db2.gz HKGJIPBBODQADQ-SOFGYWHQSA-N 0 0 306.321 3.298 20 10 DGCDRN CCCOc1ccnc(NCc2ccc3cccnc3c2O)n1 ZINC001163539557 1090206533 /nfs/dbraw/zinc/20/65/33/1090206533.db2.gz XSDFHYWFHBYNTB-UHFFFAOYSA-N 0 0 310.357 3.131 20 10 DGCDRN CCCN(c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-])C(C)C ZINC001163605097 1090218387 /nfs/dbraw/zinc/21/83/87/1090218387.db2.gz HNHNOSTZMOVVQI-CLFYSBASSA-N 0 0 306.362 3.406 20 10 DGCDRN O=C(Cc1cccc(F)c1F)NCc1cc(Cl)ccc1O ZINC001165499108 1090525775 /nfs/dbraw/zinc/52/57/75/1090525775.db2.gz WJFMGKMHLFWTQY-UHFFFAOYSA-N 0 0 311.715 3.183 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1c(O)cccc1Cl ZINC001165508120 1090526612 /nfs/dbraw/zinc/52/66/12/1090526612.db2.gz LIMFJMUNYYZDQY-UHFFFAOYSA-N 0 0 312.152 3.335 20 10 DGCDRN Clc1ccnc2c(-c3noc(-c4csnn4)n3)cccc12 ZINC001212362387 1090575115 /nfs/dbraw/zinc/57/51/15/1090575115.db2.gz QXLYHCHKNDUZCM-UHFFFAOYSA-N 0 0 315.745 3.457 20 10 DGCDRN Cc1snnc1-c1nc(-c2ccc3ncsc3c2)no1 ZINC001212405616 1090627457 /nfs/dbraw/zinc/62/74/57/1090627457.db2.gz YZDOBURZXMKRRQ-UHFFFAOYSA-N 0 0 301.356 3.173 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2ncnc(C)c2C)C1 ZINC001166816108 1090661895 /nfs/dbraw/zinc/66/18/95/1090661895.db2.gz SPQXYIRXQIXTDS-UHFFFAOYSA-N 0 0 322.412 3.156 20 10 DGCDRN CC(C)(O)C=CNc1ccc(C(=O)Oc2ccc(N)cc2)cc1 ZINC001203224850 1090706383 /nfs/dbraw/zinc/70/63/83/1090706383.db2.gz UILWTWICRCUEFP-VAWYXSNFSA-N 0 0 312.369 3.185 20 10 DGCDRN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](Cc2ccccc2O)C1 ZINC001203550275 1090753496 /nfs/dbraw/zinc/75/34/96/1090753496.db2.gz PJFRYYKYKQIYKM-AWEZNQCLSA-N 0 0 320.433 3.081 20 10 DGCDRN Cc1cc(C[N@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])n(C)n1 ZINC001203579901 1090760410 /nfs/dbraw/zinc/76/04/10/1090760410.db2.gz HDWQMIXFGHFGCD-UHFFFAOYSA-N 0 0 314.216 3.373 20 10 DGCDRN Oc1ccc(CN2CC[C@H](Oc3cc(F)ccc3F)C2)cc1O ZINC001203878459 1090825636 /nfs/dbraw/zinc/82/56/36/1090825636.db2.gz HAFOWVFKVYTTKM-ZDUSSCGKSA-N 0 0 321.323 3.029 20 10 DGCDRN Oc1ccc(CN2CCOC[C@@H]2c2ccccc2Cl)cc1O ZINC001203879937 1090826263 /nfs/dbraw/zinc/82/62/63/1090826263.db2.gz HHRKESZMXRRHTE-OAHLLOKOSA-N 0 0 319.788 3.325 20 10 DGCDRN C[C@@H](NC(=O)Nc1ccc(OC(F)F)nc1)c1ccccc1O ZINC001204070853 1090892021 /nfs/dbraw/zinc/89/20/21/1090892021.db2.gz GESJDQSAAZVQMP-SECBINFHSA-N 0 0 323.299 3.271 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2cccnc2)C1 ZINC001204075907 1090893119 /nfs/dbraw/zinc/89/31/19/1090893119.db2.gz VMWPTXCTWXHUCN-UHFFFAOYSA-N 0 0 307.397 3.140 20 10 DGCDRN COc1cc(CN2Cc3ccc(Cl)cc3C2)cc(O)c1O ZINC001204346808 1090952834 /nfs/dbraw/zinc/95/28/34/1090952834.db2.gz ZQRCNTDHDVPWQH-UHFFFAOYSA-N 0 0 305.761 3.276 20 10 DGCDRN COc1ccccc1[C@@H](C)N(C)Cc1cc(O)c(O)c(OC)c1 ZINC001204346122 1090952841 /nfs/dbraw/zinc/95/28/41/1090952841.db2.gz LFVJRFLZMMRMPC-GFCCVEGCSA-N 0 0 317.385 3.308 20 10 DGCDRN COc1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])C2 ZINC001204961901 1091072847 /nfs/dbraw/zinc/07/28/47/1091072847.db2.gz WYPWTUIGZXIEKD-AWEZNQCLSA-N 0 0 319.351 3.326 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2c([O-])cccc2F)CCC[C@@]1(O)C(F)(F)F ZINC001137831692 1091091896 /nfs/dbraw/zinc/09/18/96/1091091896.db2.gz KBRBYBNKVASDJA-YGRLFVJLSA-N 0 0 321.314 3.057 20 10 DGCDRN CC1(C)CN(Cc2ccc(N3CCCCC3)cc2)CCC1=O ZINC001138220384 1091119710 /nfs/dbraw/zinc/11/97/10/1091119710.db2.gz AFZAGCGBCKPFJH-UHFFFAOYSA-N 0 0 300.446 3.478 20 10 DGCDRN Cc1c(CN2CC(F)(F)C[C@@]2(C)CO)c2ccccc2n1C ZINC001138252292 1091126767 /nfs/dbraw/zinc/12/67/67/1091126767.db2.gz ATKSYKBFDVIPDE-INIZCTEOSA-N 0 0 308.372 3.079 20 10 DGCDRN CN1CCCc2cc(CN3CCO[C@@H](c4ccncc4)C3)ccc21 ZINC001138356078 1091150834 /nfs/dbraw/zinc/15/08/34/1091150834.db2.gz GWEAFVMWPXSXKQ-HXUWFJFHSA-N 0 0 323.440 3.038 20 10 DGCDRN CN1CCCc2cc(CN3CCOC[C@@H]3c3cccnc3)ccc21 ZINC001138359370 1091151733 /nfs/dbraw/zinc/15/17/33/1091151733.db2.gz SHSSGMZUNPINCJ-HXUWFJFHSA-N 0 0 323.440 3.038 20 10 DGCDRN CCN(CC)c1ccc(CN2C[C@H](C)O[C@@H](C)C2)c(OC)c1 ZINC001138388525 1091163282 /nfs/dbraw/zinc/16/32/82/1091163282.db2.gz WNQFNRHERVRSKW-GJZGRUSLSA-N 0 0 306.450 3.151 20 10 DGCDRN CCN(CC)c1ccc(CN2CCO[C@H](C(C)C)C2)c(OC)c1 ZINC001138392292 1091165954 /nfs/dbraw/zinc/16/59/54/1091165954.db2.gz UTSKKDCGNNDCNF-IBGZPJMESA-N 0 0 320.477 3.398 20 10 DGCDRN COCCn1ccc(-c2ccc(Oc3ccccc3)nc2)cc1=O ZINC001205367816 1091202856 /nfs/dbraw/zinc/20/28/56/1091202856.db2.gz SHUYSWXOHOOTFA-UHFFFAOYSA-N 0 0 322.364 3.349 20 10 DGCDRN COc1cccc(CN(C)Cc2c(O)cccc2F)c1OC ZINC001137840075 1091218993 /nfs/dbraw/zinc/21/89/93/1091218993.db2.gz RBQLWPJRYMFMHK-UHFFFAOYSA-N 0 0 305.349 3.181 20 10 DGCDRN CCCCC[C@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)OC ZINC001205434833 1091220825 /nfs/dbraw/zinc/22/08/25/1091220825.db2.gz RCAVICKNNQDYSB-BLGFXRMMSA-N 0 0 318.461 3.477 20 10 DGCDRN CC(C)(C)CC(=O)NC1CC[NH+](Cc2c([O-])cccc2F)CC1 ZINC001137841346 1091225171 /nfs/dbraw/zinc/22/51/71/1091225171.db2.gz BEBNCHPFZDSEER-UHFFFAOYSA-N 0 0 322.424 3.048 20 10 DGCDRN CCOC(=O)[C@H](CC)N(Cc1cc(C)cc(OC)c1O)C1CC1 ZINC001205453320 1091225807 /nfs/dbraw/zinc/22/58/07/1091225807.db2.gz CEFVKMSHRXUNRX-HNNXBMFYSA-N 0 0 321.417 3.015 20 10 DGCDRN Cc1ncc(-c2ncnc3c2ccn3Cc2ccccc2F)cn1 ZINC001205826552 1091368221 /nfs/dbraw/zinc/36/82/21/1091368221.db2.gz UJGSDNDQYYCQNE-UHFFFAOYSA-N 0 0 319.343 3.384 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1Cc2ccccc2C1 ZINC001139126542 1091456499 /nfs/dbraw/zinc/45/64/99/1091456499.db2.gz JGEWLHWXWKYIND-UHFFFAOYSA-N 0 0 307.349 3.323 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCCC[C@@H](F)C1 ZINC001139126882 1091459915 /nfs/dbraw/zinc/45/99/15/1091459915.db2.gz SWXVLLQHNJICHM-GFCCVEGCSA-N 0 0 305.349 3.131 20 10 DGCDRN CNC(=O)c1ccc(NCc2ccc(Cl)cc2O)c(C)c1 ZINC001206214777 1091538217 /nfs/dbraw/zinc/53/82/17/1091538217.db2.gz DCXYWBZQJSOVJE-UHFFFAOYSA-N 0 0 304.777 3.326 20 10 DGCDRN [NH3+]C[C@]1(F)CCCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001206334937 1091582776 /nfs/dbraw/zinc/58/27/76/1091582776.db2.gz AZCWCIPFMMHOIO-CQSZACIVSA-N 0 0 321.223 3.352 20 10 DGCDRN Oc1ccc(F)cc1CN1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001140060003 1091753698 /nfs/dbraw/zinc/75/36/98/1091753698.db2.gz FXLRNKRUHPJICB-CYBMUJFWSA-N 0 0 315.270 3.388 20 10 DGCDRN Oc1cccc(Br)c1CN1CCc2occc2C1 ZINC001140103599 1091768583 /nfs/dbraw/zinc/76/85/83/1091768583.db2.gz QOIHWNWVCLWSNE-UHFFFAOYSA-N 0 0 308.175 3.306 20 10 DGCDRN CN(Cc1cncs1)Cc1c(O)cccc1Br ZINC001140103269 1091768920 /nfs/dbraw/zinc/76/89/20/1091768920.db2.gz HCGNXZGWDQJGKT-UHFFFAOYSA-N 0 0 313.220 3.243 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)Cc1c(F)cncc1F ZINC001206859446 1091774099 /nfs/dbraw/zinc/77/40/99/1091774099.db2.gz AZNLNMBMJVOGSG-UHFFFAOYSA-N 0 0 305.372 3.448 20 10 DGCDRN Cc1ccc2[nH]nc(CN3CCCc4cc(O)c(O)cc4C3)c2c1 ZINC001140333922 1091830487 /nfs/dbraw/zinc/83/04/87/1091830487.db2.gz WJVOWTKOBWBELL-UHFFFAOYSA-N 0 0 323.396 3.231 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CC[C@@]1(O)C(F)(F)F ZINC001140337940 1091833598 /nfs/dbraw/zinc/83/35/98/1091833598.db2.gz OAIXTUYEJJHUQS-RNCFNFMXSA-N 0 0 323.742 3.181 20 10 DGCDRN Cc1nc([C@@H]2COCCN2Cc2c(O)cccc2Cl)cs1 ZINC001140339442 1091833662 /nfs/dbraw/zinc/83/36/62/1091833662.db2.gz UZVSHTNFTMYWCJ-AWEZNQCLSA-N 0 0 324.833 3.384 20 10 DGCDRN CCOC(=O)[C@]1(C)CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001140342175 1091835604 /nfs/dbraw/zinc/83/56/04/1091835604.db2.gz VYJUTPKQVAKKEU-MRXNPFEDSA-N 0 0 311.809 3.211 20 10 DGCDRN CCOC(=O)[C@H]1CCCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001140341727 1091836164 /nfs/dbraw/zinc/83/61/64/1091836164.db2.gz DWRPQWYHEFUJOY-LBPRGKRZSA-N 0 0 311.809 3.211 20 10 DGCDRN Oc1cccc2c1CN(Cc1cnc3ccc(Cl)cn13)CC2 ZINC001140432602 1091863621 /nfs/dbraw/zinc/86/36/21/1091863621.db2.gz OQISWQXVUYTJTK-UHFFFAOYSA-N 0 0 313.788 3.252 20 10 DGCDRN OC[C@@H]1CCC[C@@H](C(F)(F)F)N1Cc1ccc(Cl)cc1O ZINC001140461419 1091874160 /nfs/dbraw/zinc/87/41/60/1091874160.db2.gz LVVXMKDBJXULAU-AAEUAGOBSA-N 0 0 323.742 3.323 20 10 DGCDRN Oc1cccc2c1CN(Cc1cncc(Br)c1)C2 ZINC001207243539 1091898690 /nfs/dbraw/zinc/89/86/90/1091898690.db2.gz MSRVWCGWWWFSSW-UHFFFAOYSA-N 0 0 305.175 3.066 20 10 DGCDRN C[NH+](C)CCN(Cc1ccccc1)Cc1c([O-])cc(F)cc1F ZINC001140580108 1091917370 /nfs/dbraw/zinc/91/73/70/1091917370.db2.gz RJABDQJSLSANQX-UHFFFAOYSA-N 0 0 320.383 3.234 20 10 DGCDRN C[N@@H+]1CCN(Cc2c([O-])cc(F)cc2F)[C@H](c2ccccc2)C1 ZINC001140580358 1091917443 /nfs/dbraw/zinc/91/74/43/1091917443.db2.gz YYVFJHPRHRZVFX-KRWDZBQOSA-N 0 0 318.367 3.159 20 10 DGCDRN COC(=O)c1ccc(Cl)c(C[NH2+]Cc2c([O-])cccc2F)c1 ZINC001207621052 1092045146 /nfs/dbraw/zinc/04/51/46/1092045146.db2.gz BXQVWWOBHXJCEG-UHFFFAOYSA-N 0 0 323.751 3.261 20 10 DGCDRN Cc1ccc(CN2CC[C@H]2N(C)C(=O)OC(C)(C)C)c(O)c1 ZINC001140957548 1092079753 /nfs/dbraw/zinc/07/97/53/1092079753.db2.gz DEIZBYVTRBOYET-HNNXBMFYSA-N 0 0 306.406 3.099 20 10 DGCDRN Cc1ccc(CN2CC[C@@H](N3CCCC3)C(F)(F)C2)c(O)c1 ZINC001140954774 1092080443 /nfs/dbraw/zinc/08/04/43/1092080443.db2.gz YSHKCZXCSHNXIP-MRXNPFEDSA-N 0 0 310.388 3.006 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@H](C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC001207724546 1092082171 /nfs/dbraw/zinc/08/21/71/1092082171.db2.gz ZZQXWCQOEAYYIM-SNVBAGLBSA-N 0 0 320.320 3.299 20 10 DGCDRN Cc1ccc(CN2Cc3cnn(-c4ccccc4)c3C2)c(O)c1 ZINC001140958248 1092083108 /nfs/dbraw/zinc/08/31/08/1092083108.db2.gz VWAXTTGXZIZUMO-UHFFFAOYSA-N 0 0 305.381 3.402 20 10 DGCDRN COc1cc(CN(C)Cc2ccn(C)n2)c(O)c(C(C)(C)C)c1 ZINC001207774486 1092096427 /nfs/dbraw/zinc/09/64/27/1092096427.db2.gz MRALPWLDELDYJW-UHFFFAOYSA-N 0 0 317.433 3.064 20 10 DGCDRN COc1cc(O)c(C[N@H+](C)Cc2cccc(F)c2)c(OC)c1 ZINC001141031879 1092112929 /nfs/dbraw/zinc/11/29/29/1092112929.db2.gz NLXWDGOTKSIPEA-UHFFFAOYSA-N 0 0 305.349 3.181 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H](C)C(F)F)c1 ZINC001141979594 1092377504 /nfs/dbraw/zinc/37/75/04/1092377504.db2.gz UYFAXSDWDBCEQA-LLVKDONJSA-N 0 0 320.339 3.290 20 10 DGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)C(=O)c2ccco2)cc1 ZINC001142284199 1092457999 /nfs/dbraw/zinc/45/79/99/1092457999.db2.gz SBYSKXNORCSVRK-UHFFFAOYSA-N 0 0 320.348 3.278 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC001142416881 1092478528 /nfs/dbraw/zinc/47/85/28/1092478528.db2.gz JCYMEWZKTRYIHO-OKDNKWQNSA-N 0 0 300.446 3.393 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@@H]1COCc1ccccc1 ZINC001142524975 1092493482 /nfs/dbraw/zinc/49/34/82/1092493482.db2.gz RMEMAAMKVFUJAH-OAHLLOKOSA-N 0 0 319.351 3.462 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH+]1CCC(c2ccccn2)CC1 ZINC001142524602 1092495455 /nfs/dbraw/zinc/49/54/55/1092495455.db2.gz COJQUDDRTDZHBK-UHFFFAOYSA-N 0 0 304.340 3.445 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC001142531337 1092497203 /nfs/dbraw/zinc/49/72/03/1092497203.db2.gz VFDZUZBTYRQRMB-AWEZNQCLSA-N 0 0 323.314 3.463 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)C1=COCC1 ZINC001142561190 1092503738 /nfs/dbraw/zinc/50/37/38/1092503738.db2.gz ABTWHQCKNHJNDZ-INIZCTEOSA-N 0 0 301.386 3.053 20 10 DGCDRN CCN(C)c1ccc(CN[C@@H](C(=O)OC)C2CCCCC2)cc1 ZINC001169056566 1092513115 /nfs/dbraw/zinc/51/31/15/1092513115.db2.gz ROHJRDXIMXUUFT-GOSISDBHSA-N 0 0 318.461 3.354 20 10 DGCDRN Cc1ccc(C(=O)NCCCc2ccc(Cl)cc2)c(O)c1O ZINC001143093256 1092613726 /nfs/dbraw/zinc/61/37/26/1092613726.db2.gz OLDDZNDFWTXKFV-UHFFFAOYSA-N 0 0 319.788 3.422 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2ccc3cccnc3c2O)c(O)c1 ZINC001149327465 1092679882 /nfs/dbraw/zinc/67/98/82/1092679882.db2.gz AYVBDKSCOYIGIM-UHFFFAOYSA-N 0 0 322.364 3.193 20 10 DGCDRN O=C(c1cc2cccnc2s1)N1CCc2cccc(O)c2C1 ZINC001149532465 1092706573 /nfs/dbraw/zinc/70/65/73/1092706573.db2.gz REKNJAGMUWDKPW-UHFFFAOYSA-N 0 0 310.378 3.200 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1cnc(Cl)s1)CCC2 ZINC001209473266 1092789012 /nfs/dbraw/zinc/78/90/12/1092789012.db2.gz YBLCGUFNRWLNJL-UHFFFAOYSA-N 0 0 310.806 3.156 20 10 DGCDRN CCOc1cccc2cc(C(=O)NCc3ccccc3O)oc21 ZINC001150529615 1092790037 /nfs/dbraw/zinc/79/00/37/1092790037.db2.gz TWDUGAAINVXTCL-UHFFFAOYSA-N 0 0 311.337 3.467 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1ccc(-c2ccon2)cc1 ZINC001209514924 1092804005 /nfs/dbraw/zinc/80/40/05/1092804005.db2.gz VNYGMBYQOQOFJU-UHFFFAOYSA-N 0 0 309.325 3.369 20 10 DGCDRN CO[C@@H]1CN(Cc2ccc(-n3c(C)ccc3C)cc2)C[C@@H]1F ZINC001209516929 1092805243 /nfs/dbraw/zinc/80/52/43/1092805243.db2.gz TYBXIQIEFHMEKR-ZWKOTPCHSA-N 0 0 302.393 3.263 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(CN2CCc3cnn(C)c3C2)cc1 ZINC001209517314 1092805625 /nfs/dbraw/zinc/80/56/25/1092805625.db2.gz BNHACFKEUHZGDN-UHFFFAOYSA-N 0 0 320.440 3.386 20 10 DGCDRN O=C(NCc1c(O)cccc1F)Nc1cnc(F)c(Cl)c1 ZINC001209620312 1092851396 /nfs/dbraw/zinc/85/13/96/1092851396.db2.gz WGWHXGBNMSBAGU-UHFFFAOYSA-N 0 0 313.691 3.041 20 10 DGCDRN COC(=O)c1cccc(F)c1Nc1ccc2c(c1)OCCN2 ZINC001209766470 1092911975 /nfs/dbraw/zinc/91/19/75/1092911975.db2.gz AIZWVKWEQCJHAN-UHFFFAOYSA-N 0 0 302.305 3.160 20 10 DGCDRN CCOC(=O)Cc1ccccc1Nc1ccc2c(c1)OCCN2 ZINC001209789226 1092923399 /nfs/dbraw/zinc/92/33/99/1092923399.db2.gz MUFWATROWDGTQI-UHFFFAOYSA-N 0 0 312.369 3.340 20 10 DGCDRN CC1(C)CNC(=O)c2cc(Nc3ccc4c(c3)OCCN4)ccc21 ZINC001209790266 1092923469 /nfs/dbraw/zinc/92/34/69/1092923469.db2.gz XZGUCAISYVYBBK-UHFFFAOYSA-N 0 0 323.396 3.256 20 10 DGCDRN CCCOc1cc(F)ccc1N(CCO)c1ccc(N)cc1 ZINC001214082056 1093710544 /nfs/dbraw/zinc/71/05/44/1093710544.db2.gz SIAHUZGVRJVBCN-UHFFFAOYSA-N 0 0 304.365 3.327 20 10 DGCDRN Cc1cc(NC(=O)NCc2c(O)cccc2F)ccc1N(C)C ZINC001214519104 1093789535 /nfs/dbraw/zinc/78/95/35/1093789535.db2.gz WREOTNTWIWRLLU-UHFFFAOYSA-N 0 0 317.364 3.227 20 10 DGCDRN Oc1cccc(-c2nc(-c3cccc4ccncc43)no2)c1O ZINC001215145642 1093926745 /nfs/dbraw/zinc/92/67/45/1093926745.db2.gz ADNSGJOPIXUJPC-UHFFFAOYSA-N 0 0 305.293 3.363 20 10 DGCDRN Oc1ccc(-c2nc(-c3ccc(N4CCCC4)cc3)no2)cc1O ZINC001215304061 1093954837 /nfs/dbraw/zinc/95/48/37/1093954837.db2.gz CLFWXCPNBZCSKZ-UHFFFAOYSA-N 0 0 323.352 3.415 20 10 DGCDRN COc1c(F)ccc(-c2noc(-c3ccc(O)c(O)c3)n2)c1F ZINC001215303983 1093955347 /nfs/dbraw/zinc/95/53/47/1093955347.db2.gz AGFSIAXOMHMQJM-UHFFFAOYSA-N 0 0 320.251 3.102 20 10 DGCDRN Oc1ccc(-c2nc(-c3ccc(OC(F)F)cc3)no2)cc1O ZINC001215304600 1093955780 /nfs/dbraw/zinc/95/57/80/1093955780.db2.gz UXFAGTQPHDSJCN-UHFFFAOYSA-N 0 0 320.251 3.416 20 10 DGCDRN Oc1ccc(-c2nc(-c3cncc(C(F)(F)F)c3)no2)cc1O ZINC001215304794 1093955910 /nfs/dbraw/zinc/95/59/10/1093955910.db2.gz ZVNHSRFPHMNGRZ-UHFFFAOYSA-N 0 0 323.230 3.229 20 10 DGCDRN Cn1ccc2cc(-c3noc(-c4ccc(O)c(O)c4)n3)ccc21 ZINC001215304545 1093956163 /nfs/dbraw/zinc/95/61/63/1093956163.db2.gz RDNNFLZAWARJNK-UHFFFAOYSA-N 0 0 307.309 3.307 20 10 DGCDRN Oc1cc(-c2nc(-c3cccc(Cl)c3)no2)cc(O)c1O ZINC001215327617 1093961648 /nfs/dbraw/zinc/96/16/48/1093961648.db2.gz KVBCHVPTOXLTCI-UHFFFAOYSA-N 0 0 304.689 3.174 20 10 DGCDRN CSc1ccc(F)c(N(CCO)c2ccc(N)cc2)c1F ZINC001215838293 1094070357 /nfs/dbraw/zinc/07/03/57/1094070357.db2.gz DGQNXVUILLJULX-UHFFFAOYSA-N 0 0 310.369 3.399 20 10 DGCDRN CSc1c(F)cc(N(CCO)c2ccc(N)cc2)cc1F ZINC001215924679 1094088189 /nfs/dbraw/zinc/08/81/89/1094088189.db2.gz LVKQJDZVPIYDOK-UHFFFAOYSA-N 0 0 310.369 3.399 20 10 DGCDRN Cc1cc(C)cc(C[C@@H](C)NC(=O)NCc2ccc(N)cc2)c1 ZINC001120519717 1094447254 /nfs/dbraw/zinc/44/72/54/1094447254.db2.gz OHLTZARJSDROLD-OAHLLOKOSA-N 0 0 311.429 3.316 20 10 DGCDRN Cc1ccccc1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001135248860 1094464819 /nfs/dbraw/zinc/46/48/19/1094464819.db2.gz SGYBIPILFPHTIM-UHFFFAOYSA-N 0 0 310.357 3.430 20 10 DGCDRN CC[C@H](Cc1ccccc1)N(C)C(=O)NCc1ccc(N)cc1 ZINC001336290597 1094617763 /nfs/dbraw/zinc/61/77/63/1094617763.db2.gz PVTXBMSGOKLDLZ-GOSISDBHSA-N 0 0 311.429 3.432 20 10 DGCDRN CO[C@H]1CCC[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC001336439860 1094651686 /nfs/dbraw/zinc/65/16/86/1094651686.db2.gz WRKAQJPDWHUOTA-MSOLQXFVSA-N 0 0 318.461 3.305 20 10 DGCDRN Nc1ccc(CNC(=O)N[C@H]2CCCc3sccc32)cc1 ZINC001336860714 1094762486 /nfs/dbraw/zinc/76/24/86/1094762486.db2.gz YKZYCHGOHUAQTI-AWEZNQCLSA-N 0 0 301.415 3.207 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCC[C@@H]2OC)cc1 ZINC001135945998 1094762843 /nfs/dbraw/zinc/76/28/43/1094762843.db2.gz AKEOIPMBOPTJEA-MSOLQXFVSA-N 0 0 318.461 3.306 20 10 DGCDRN CC[C@H]1CN(c2nnc(C3SC=CC3=O)n2CC)CCS1 ZINC001121763853 1094768143 /nfs/dbraw/zinc/76/81/43/1094768143.db2.gz MQQPZIFFBPGCMC-JTQLQIEISA-N 0 0 324.475 3.064 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C12CCC(CC1)CC2 ZINC001337166916 1094882065 /nfs/dbraw/zinc/88/20/65/1094882065.db2.gz PBTASCPKKTXJNV-ZVLZOBCMSA-N 0 0 303.402 3.115 20 10 DGCDRN CC1CC(NC(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC001219189250 1094949904 /nfs/dbraw/zinc/94/99/04/1094949904.db2.gz IFIUMZJRLPRKHX-UHFFFAOYSA-N 0 0 321.384 3.316 20 10 DGCDRN O=C(Nc1ccc(OC(=O)C2=CC(=O)CS2)cc1)C1CC1 ZINC001136268456 1094967053 /nfs/dbraw/zinc/96/70/53/1094967053.db2.gz OMNGHQBJJQRMHK-UHFFFAOYSA-N 0 0 303.339 3.021 20 10 DGCDRN CC1(C)CC(=O)Nc2c(NC(=O)Cc3ccc(N)cc3)cccc21 ZINC001219367712 1094967802 /nfs/dbraw/zinc/96/78/02/1094967802.db2.gz XQNZDOQVEVMYSN-UHFFFAOYSA-N 0 0 323.396 3.070 20 10 DGCDRN Cc1[nH]c2ccc(CNC(=O)Cc3ccc(N)cc3)cc2c1C ZINC001219914451 1095033583 /nfs/dbraw/zinc/03/35/83/1095033583.db2.gz QXYUFABHNZXSAD-UHFFFAOYSA-N 0 0 307.397 3.226 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)NCCC(F)F)ccc21 ZINC001337712699 1095067818 /nfs/dbraw/zinc/06/78/18/1095067818.db2.gz KAWUUVKUXRFGFX-UHFFFAOYSA-N 0 0 324.371 3.290 20 10 DGCDRN C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC001337801401 1095100279 /nfs/dbraw/zinc/10/02/79/1095100279.db2.gz SCWZGNBWXBDJML-GHMZBOCLSA-N 0 0 324.377 3.071 20 10 DGCDRN C[C@@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)c1ccc(F)cc1[O-] ZINC000316334603 1095168901 /nfs/dbraw/zinc/16/89/01/1095168901.db2.gz CEVZFRPJCBYEIY-WBMJQRKESA-N 0 0 305.397 3.493 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](CF)C2)cc1 ZINC001221229768 1095216926 /nfs/dbraw/zinc/21/69/26/1095216926.db2.gz OMYGNIJGZQCLQU-INIZCTEOSA-N 0 0 321.440 3.424 20 10 DGCDRN C[C@H](CNC(=O)NCc1c(O)cccc1F)c1ccc(F)cc1 ZINC001221617415 1095314160 /nfs/dbraw/zinc/31/41/60/1095314160.db2.gz PMOWKAIDSYBUAV-LLVKDONJSA-N 0 0 320.339 3.273 20 10 DGCDRN Nc1ccc(CNC(=O)NCC[C@H]2CCc3ccccc32)cc1 ZINC001338610091 1095345162 /nfs/dbraw/zinc/34/51/62/1095345162.db2.gz NJHINSYZWFHVPJ-MRXNPFEDSA-N 0 0 309.413 3.188 20 10 DGCDRN C[C@@]1(c2ccccc2)CCCN1C(=O)NCc1ccc(N)cc1 ZINC001338793462 1095391748 /nfs/dbraw/zinc/39/17/48/1095391748.db2.gz PUSSHNDVMKXNTB-IBGZPJMESA-N 0 0 309.413 3.490 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)Cc2ccccc2)C2CC2)cc1 ZINC001115967146 1095428757 /nfs/dbraw/zinc/42/87/57/1095428757.db2.gz OKFHPFWGDVMACP-UHFFFAOYSA-N 0 0 308.425 3.486 20 10 DGCDRN Cc1ccc(N2C(=O)/C(=C/c3cnn(C)c3)SC2=S)cc1 ZINC000208569024 1095443466 /nfs/dbraw/zinc/44/34/66/1095443466.db2.gz BWFXDMSEAAOFEP-QPEQYQDCSA-N 0 0 315.423 3.134 20 10 DGCDRN CC(C)c1ccc(CCC(=O)NCc2cccc(O)c2O)cc1 ZINC001123890332 1095473077 /nfs/dbraw/zinc/47/30/77/1095473077.db2.gz XFIOXVDIOATTJP-UHFFFAOYSA-N 0 0 313.397 3.470 20 10 DGCDRN CCCC(=O)C(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001144046012 1095483640 /nfs/dbraw/zinc/48/36/40/1095483640.db2.gz CDTRBUJOAMRPRJ-INIZCTEOSA-N 0 0 303.402 3.118 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)C(C)=C(C)C)CC2)cc1 ZINC001116419418 1095544943 /nfs/dbraw/zinc/54/49/43/1095544943.db2.gz JCHRQCHETYMRGJ-UHFFFAOYSA-N 0 0 302.418 3.090 20 10 DGCDRN CCN1CCN(C(=O)/C=C/c2cnccc2C)c2ccccc21 ZINC001116537861 1095592067 /nfs/dbraw/zinc/59/20/67/1095592067.db2.gz AHRCMULRTFGCPN-CMDGGOBGSA-N 0 0 307.397 3.276 20 10 DGCDRN O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)N1CCCc2cc(O)c(O)cc2C1 ZINC001144299392 1095592931 /nfs/dbraw/zinc/59/29/31/1095592931.db2.gz YNLVSBCNWKPOCS-SNPRPXQTSA-N 0 0 315.413 3.199 20 10 DGCDRN C[C@@H](OCC1CC1)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001124549573 1095603186 /nfs/dbraw/zinc/60/31/86/1095603186.db2.gz NBSFVDHIBYOVCJ-OAHLLOKOSA-N 0 0 316.445 3.060 20 10 DGCDRN COC(=O)[C@@H]1C[C@@H](C)CCN1Cc1ccc(N2CCCC2)cc1 ZINC001116655633 1095627880 /nfs/dbraw/zinc/62/78/80/1095627880.db2.gz VBVZRQLDFXKFDE-YJBOKZPZSA-N 0 0 316.445 3.060 20 10 DGCDRN O[C@@H]1Cc2ccccc2N(Cc2ccc(N3CCCC3)cc2)C1 ZINC001339476285 1095635525 /nfs/dbraw/zinc/63/55/25/1095635525.db2.gz VKXGEFDXWXWJFC-LJQANCHMSA-N 0 0 308.425 3.210 20 10 DGCDRN CC(C)(C)OC(=O)[C@H]1CCCCN1Cc1c(O)cccc1F ZINC001137837560 1095761229 /nfs/dbraw/zinc/76/12/29/1095761229.db2.gz LUUYTQPTTRJENK-CQSZACIVSA-N 0 0 309.381 3.228 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CC(C)(C)C2(C)C)c([N+](=O)[O-])c1 ZINC001339890016 1095769754 /nfs/dbraw/zinc/76/97/54/1095769754.db2.gz BOBSATLBHBHLSY-CLFYSBASSA-N 0 0 318.373 3.406 20 10 DGCDRN Cc1nc(CCC(=O)Nc2c3nonc3ccc2Cl)cs1 ZINC001117507532 1095775001 /nfs/dbraw/zinc/77/50/01/1095775001.db2.gz OBXMRHXMZDIWEQ-UHFFFAOYSA-N 0 0 322.777 3.212 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@H]1C(F)F ZINC001339961575 1095792607 /nfs/dbraw/zinc/79/26/07/1095792607.db2.gz KXFRKNFXJODVOB-HNNXBMFYSA-N 0 0 323.387 3.226 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001340026816 1095822926 /nfs/dbraw/zinc/82/29/26/1095822926.db2.gz TZAKARUFRXSRPH-UWVGGRQHSA-N 0 0 324.475 3.062 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCC[C@@H]2CC=CCC2)cc1 ZINC001223196265 1095899070 /nfs/dbraw/zinc/89/90/70/1095899070.db2.gz DJSKKHJESWBUTP-OAHLLOKOSA-N 0 0 301.434 3.298 20 10 DGCDRN CCCc1noc([C@@H]2CCC[N@H+](Cc3cccc(F)c3[O-])C2)n1 ZINC001138128398 1095901319 /nfs/dbraw/zinc/90/13/19/1095901319.db2.gz HNPBOXAPBGXQPC-CYBMUJFWSA-N 0 0 319.380 3.246 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@]12CCOC2 ZINC001117996855 1095916881 /nfs/dbraw/zinc/91/68/81/1095916881.db2.gz GIBRIQUDSSNKRK-KRWDZBQOSA-N 0 0 316.426 3.161 20 10 DGCDRN Cc1cccc(CNc2nnc(Cl)c3ccncc32)c1O ZINC001160764120 1095933910 /nfs/dbraw/zinc/93/39/10/1095933910.db2.gz CBBPDZRWDKWKNY-UHFFFAOYSA-N 0 0 300.749 3.304 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCC[C@@H](F)C1 ZINC001118124131 1095938401 /nfs/dbraw/zinc/93/84/01/1095938401.db2.gz VJYYFVZEQHLGPE-HZPDHXFCSA-N 0 0 317.408 3.143 20 10 DGCDRN CN(C(=O)C[C@H]1CCC[C@@H](C(F)(F)F)O1)c1ccc(N)cc1 ZINC001340846872 1096050106 /nfs/dbraw/zinc/05/01/06/1096050106.db2.gz GYYVDBFMPFBDHF-OLZOCXBDSA-N 0 0 316.323 3.122 20 10 DGCDRN CN(C)c1ccc(/C=C/CN2CCO[C@](C)(C(F)F)C2)cc1 ZINC001118674089 1096053156 /nfs/dbraw/zinc/05/31/56/1096053156.db2.gz IMXSCMXRMBYBSG-BDUNBXCCSA-N 0 0 310.388 3.122 20 10 DGCDRN Cc1ccc(C(=O)N2CC[C@@H]2c2ccc(F)cc2)c(O)c1O ZINC001146530757 1096057065 /nfs/dbraw/zinc/05/70/65/1096057065.db2.gz UBAMZQIRAXDPKM-CQSZACIVSA-N 0 0 301.317 3.133 20 10 DGCDRN COc1ccc(N2CC3(CCN3CCCC(F)(F)F)C2)cc1 ZINC001276924454 1096078046 /nfs/dbraw/zinc/07/80/46/1096078046.db2.gz KNZUONGJNVFMNP-UHFFFAOYSA-N 0 0 314.351 3.302 20 10 DGCDRN O=C(CC1(C(F)(F)F)CC1)NCc1ccc2cccnc2c1O ZINC001118876902 1096097345 /nfs/dbraw/zinc/09/73/45/1096097345.db2.gz XIPPZZJDUHGPJO-UHFFFAOYSA-N 0 0 324.302 3.289 20 10 DGCDRN C[C@]1(c2ccccc2)C[C@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC001119152564 1096137524 /nfs/dbraw/zinc/13/75/24/1096137524.db2.gz ZYHUWPNYUCGWHN-IEBWSBKVSA-N 0 0 308.381 3.148 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cn(C)nc2-c2ccccc2)c1 ZINC001147957026 1096297081 /nfs/dbraw/zinc/29/70/81/1096297081.db2.gz MKMUPSYALVFCKK-UHFFFAOYSA-N 0 0 321.380 3.031 20 10 DGCDRN Cc1c(F)c(F)ccc1C(=O)N1CCc2cccc(O)c2C1 ZINC001148600708 1096400980 /nfs/dbraw/zinc/40/09/80/1096400980.db2.gz UCTFJWHJMVGCFK-UHFFFAOYSA-N 0 0 303.308 3.177 20 10 DGCDRN O=C(Nc1ccc(-c2cccnc2)cc1)c1cc(O)c(O)c(O)c1 ZINC001148587624 1096407264 /nfs/dbraw/zinc/40/72/64/1096407264.db2.gz JSJCAPUPCPJGIJ-UHFFFAOYSA-N 0 0 322.320 3.118 20 10 DGCDRN CC(C)C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)c1ccccc1 ZINC001148589640 1096408770 /nfs/dbraw/zinc/40/87/70/1096408770.db2.gz FUUFQQWUDDONQR-AWEZNQCLSA-N 0 0 315.369 3.321 20 10 DGCDRN O=C(c1ccccc1OC(F)F)N1CCc2cccc(O)c2C1 ZINC001148706755 1096436073 /nfs/dbraw/zinc/43/60/73/1096436073.db2.gz DMKMBXVSJHUYIL-UHFFFAOYSA-N 0 0 319.307 3.192 20 10 DGCDRN Oc1cc2ccccc2cc1CNc1nncc2cnccc21 ZINC001171400762 1096663064 /nfs/dbraw/zinc/66/30/64/1096663064.db2.gz ZTEFOSOGWLGNEM-UHFFFAOYSA-N 0 0 302.337 3.496 20 10 DGCDRN Cn1cnc2ccc(NCc3cc4ccccc4cc3O)nc21 ZINC001171400268 1096665942 /nfs/dbraw/zinc/66/59/42/1096665942.db2.gz RDYZCVFGIBXNGW-UHFFFAOYSA-N 0 0 304.353 3.439 20 10 DGCDRN Cn1cnc2cnc(NCc3cc4ccccc4cc3O)cc21 ZINC001171400327 1096666158 /nfs/dbraw/zinc/66/61/58/1096666158.db2.gz SZNIMESXKWKGSL-UHFFFAOYSA-N 0 0 304.353 3.439 20 10 DGCDRN Nc1cc(Cl)nc(NCc2cc3ccccc3cc2O)n1 ZINC001171400603 1096667547 /nfs/dbraw/zinc/66/75/47/1096667547.db2.gz WLIQJVPAQNCTIY-UHFFFAOYSA-N 0 0 300.749 3.183 20 10 DGCDRN CCOC(=O)c1ncc(NCc2cc3ccccc3cc2O)cn1 ZINC001171405009 1096675884 /nfs/dbraw/zinc/67/58/84/1096675884.db2.gz OZSLSGBABABTNG-UHFFFAOYSA-N 0 0 323.352 3.124 20 10 DGCDRN Oc1cc2ccccc2cc1CNc1cnc2nccnc2c1 ZINC001171405199 1096676459 /nfs/dbraw/zinc/67/64/59/1096676459.db2.gz RPGNFSPGUVNIKP-UHFFFAOYSA-N 0 0 302.337 3.496 20 10 DGCDRN C[C@@H]1CCC[C@@H](CNC(=O)NCc2c(O)cccc2F)[C@H]1C ZINC001227439340 1096933183 /nfs/dbraw/zinc/93/31/83/1096933183.db2.gz WCORREYKDUBYEN-AGIUHOORSA-N 0 0 308.397 3.403 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)N[C@H]1C[C@H]1c1ccccc1 ZINC001227470003 1096937473 /nfs/dbraw/zinc/93/74/73/1096937473.db2.gz FYAXKJNHFKLTMG-GJZGRUSLSA-N 0 0 316.788 3.401 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N(CC1CC1)c1cccc(F)c1 ZINC001171644358 1096950596 /nfs/dbraw/zinc/95/05/96/1096950596.db2.gz WJBXBRODESNABR-UHFFFAOYSA-N 0 0 315.344 3.223 20 10 DGCDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1O ZINC001171723043 1096954771 /nfs/dbraw/zinc/95/47/71/1096954771.db2.gz KWHDGKNKFMHIOT-SECBINFHSA-N 0 0 320.732 3.445 20 10 DGCDRN C[C@H](NC(=O)c1ccncc1C(F)(F)F)c1ccccc1O ZINC001171729463 1096956939 /nfs/dbraw/zinc/95/69/39/1096956939.db2.gz DGTSYPFKQKAIDZ-VIFPVBQESA-N 0 0 310.275 3.297 20 10 DGCDRN Cc1ccc(CCNC(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001227753411 1096982518 /nfs/dbraw/zinc/98/25/18/1096982518.db2.gz QTXZDUAHIQHJCL-UHFFFAOYSA-N 0 0 318.804 3.396 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCC1(C)CC1 ZINC001227757686 1096983281 /nfs/dbraw/zinc/98/32/81/1096983281.db2.gz HBGXOSRRCPRXHT-HNNXBMFYSA-N 0 0 317.477 3.481 20 10 DGCDRN CCOC[C@@H](C)Oc1c(O)c(O)ccc1C(=O)c1ccccc1 ZINC001227938506 1097016948 /nfs/dbraw/zinc/01/69/48/1097016948.db2.gz VSRPAIDSOKHUIC-GFCCVEGCSA-N 0 0 316.353 3.133 20 10 DGCDRN CC(C)OCCOc1cccc2c1C(=O)c1ccccc1C2=O ZINC001228072819 1097045041 /nfs/dbraw/zinc/04/50/41/1097045041.db2.gz GHDNJDBTTDOWAC-UHFFFAOYSA-N 0 0 310.349 3.266 20 10 DGCDRN CCO[C@H](C)COc1cccc2c1C(=O)c1ccccc1C2=O ZINC001228079075 1097046585 /nfs/dbraw/zinc/04/65/85/1097046585.db2.gz MBRTTXSWRIDRQC-GFCCVEGCSA-N 0 0 310.349 3.266 20 10 DGCDRN CC(=O)N1CCN(c2ccc(O[C@H]3CCC[C@@H](C)C3)cc2)CC1 ZINC001228199933 1097072097 /nfs/dbraw/zinc/07/20/97/1097072097.db2.gz XRHRPUMVAYSERL-BEFAXECRSA-N 0 0 316.445 3.313 20 10 DGCDRN O=c1cc(-c2ccc(F)cc2)c2ccc(OC3COC3)cc2o1 ZINC001228898723 1097214169 /nfs/dbraw/zinc/21/41/69/1097214169.db2.gz LBHIHGLAKWVWBV-UHFFFAOYSA-N 0 0 312.296 3.377 20 10 DGCDRN CC(C)c1snnc1-c1nc(-c2cccc3ccnn32)no1 ZINC001212687362 1097259631 /nfs/dbraw/zinc/25/96/31/1097259631.db2.gz OZKLPIBZAJGNOX-UHFFFAOYSA-N 0 0 312.358 3.026 20 10 DGCDRN CCN(CC)C(=O)c1ccc(Nc2cccc(O)c2O)cc1 ZINC001174065344 1097587679 /nfs/dbraw/zinc/58/76/79/1097587679.db2.gz ZDXDDLGWRFUPHL-UHFFFAOYSA-N 0 0 300.358 3.323 20 10 DGCDRN O=C(c1ccc(Nc2cccc(O)c2O)cc1)N1CCCCC1 ZINC001174072403 1097608977 /nfs/dbraw/zinc/60/89/77/1097608977.db2.gz NBEMTEXRDUZVPZ-UHFFFAOYSA-N 0 0 312.369 3.468 20 10 DGCDRN O=C1c2ccccc2C(=O)c2cc(OC[C@H]3CCCO3)ccc21 ZINC001231265587 1097708434 /nfs/dbraw/zinc/70/84/34/1097708434.db2.gz GSQRZCUSKJMVQL-CYBMUJFWSA-N 0 0 308.333 3.020 20 10 DGCDRN O=S1(=O)CCN(c2ccc(OC3CCCCCC3)cc2)CC1 ZINC001231274822 1097710414 /nfs/dbraw/zinc/71/04/14/1097710414.db2.gz VCXQMEWBOIBWBK-UHFFFAOYSA-N 0 0 323.458 3.023 20 10 DGCDRN O=C(c1ccc(O)c(O)c1)c1ccc(O)cc1OC1CCCC1 ZINC001231339962 1097724791 /nfs/dbraw/zinc/72/47/91/1097724791.db2.gz GMVTXOUHZZNGKE-UHFFFAOYSA-N 0 0 314.337 3.356 20 10 DGCDRN CC[C@@H](C)Oc1cc(O)ccc1C(=O)c1ccc(O)c(O)c1 ZINC001231339534 1097725003 /nfs/dbraw/zinc/72/50/03/1097725003.db2.gz AKKXLRKCILFJEK-SNVBAGLBSA-N 0 0 302.326 3.212 20 10 DGCDRN O=C([O-])c1ccc(C[N@@H+]2CCc3cc(Cl)ccc3C2)c(O)c1 ZINC001231455507 1097753694 /nfs/dbraw/zinc/75/36/94/1097753694.db2.gz QLCWXIFPXRNJMQ-UHFFFAOYSA-N 0 0 317.772 3.302 20 10 DGCDRN COc1cc(N(C)C)ccc1CN1CCCC(F)(F)[C@@H](F)C1 ZINC001231847774 1097861628 /nfs/dbraw/zinc/86/16/28/1097861628.db2.gz CVKPSUZLSYTMLR-HNNXBMFYSA-N 0 0 316.367 3.330 20 10 DGCDRN COc1cc(N(C)C)ccc1CN1CCC(=O)[C@H]2CCCC[C@H]21 ZINC001231849415 1097863569 /nfs/dbraw/zinc/86/35/69/1097863569.db2.gz SHHORWAWUOCLGQ-DLBZAZTESA-N 0 0 316.445 3.095 20 10 DGCDRN Cc1cc(O)c(CN2CCOC[C@H]2c2cccnc2)cc1Cl ZINC001231870149 1097870469 /nfs/dbraw/zinc/87/04/69/1097870469.db2.gz LTLOLQZAQPAXLY-INIZCTEOSA-N 0 0 318.804 3.323 20 10 DGCDRN Cc1cc(O)c(CN2CCN(Cc3ccco3)CC2)cc1Cl ZINC001231870446 1097871217 /nfs/dbraw/zinc/87/12/17/1097871217.db2.gz BKILXSMPNZLWEF-UHFFFAOYSA-N 0 0 320.820 3.265 20 10 DGCDRN Cc1cccnc1O[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001231914039 1097891738 /nfs/dbraw/zinc/89/17/38/1097891738.db2.gz XFCHEFKBROYHLK-CQSZACIVSA-N 0 0 318.804 3.402 20 10 DGCDRN Oc1cccc2c1C[N@H+](Cc1cnc(-c3cccnc3)o1)CC2 ZINC001232135464 1097946815 /nfs/dbraw/zinc/94/68/15/1097946815.db2.gz PFOVYUWQEXPBPE-UHFFFAOYSA-N 0 0 307.353 3.001 20 10 DGCDRN COc1ccnc(Cl)c1CN1CCc2cccc(O)c2C1 ZINC001232153965 1097952353 /nfs/dbraw/zinc/95/23/53/1097952353.db2.gz DLYXCHPKKCLYDD-UHFFFAOYSA-N 0 0 304.777 3.008 20 10 DGCDRN FC[C@H]1CCCN1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232203793 1097963228 /nfs/dbraw/zinc/96/32/28/1097963228.db2.gz HNSVPJLMHMPNAS-CQSZACIVSA-N 0 0 312.816 3.111 20 10 DGCDRN Oc1cc(O)c(CN2CCc3c(F)cccc3C2)cc1Cl ZINC001232262379 1097984497 /nfs/dbraw/zinc/98/44/97/1097984497.db2.gz FKSZDBPYTPDFQL-UHFFFAOYSA-N 0 0 307.752 3.449 20 10 DGCDRN COc1cc(O)c(CN2CCC(=O)[C@H]3CCCC[C@@H]32)cc1Cl ZINC001232266956 1097987459 /nfs/dbraw/zinc/98/74/59/1097987459.db2.gz TWDYVTAGRBOMHC-JSGCOSHPSA-N 0 0 323.820 3.388 20 10 DGCDRN COC(=O)c1c(CN2CCCC[C@@H](F)C2)c2ccccc2n1C ZINC001232403054 1098028476 /nfs/dbraw/zinc/02/84/76/1098028476.db2.gz UDOSBNDZRWWTPY-CYBMUJFWSA-N 0 0 318.392 3.289 20 10 DGCDRN COC(=O)c1c(CN2C[C@@H](C)C[C@H]2CF)c2ccccc2n1C ZINC001232403425 1098029890 /nfs/dbraw/zinc/02/98/90/1098029890.db2.gz YEDWTKBUPJMVRZ-STQMWFEESA-N 0 0 318.392 3.145 20 10 DGCDRN CCCc1ccc(N(c2ccc(N)cc2)S(C)(=O)=O)cc1 ZINC001175718219 1098142399 /nfs/dbraw/zinc/14/23/99/1098142399.db2.gz IPLQIIURNVLVJL-UHFFFAOYSA-N 0 0 304.415 3.319 20 10 DGCDRN C[C@@H]1C(=O)CC[N@H+](Cc2ccc(N(C)C)cc2O)C12CCCC2 ZINC001232841676 1098150436 /nfs/dbraw/zinc/15/04/36/1098150436.db2.gz OCNXNJQLGDMESA-CQSZACIVSA-N 0 0 316.445 3.182 20 10 DGCDRN O=C1c2ccccc2C(=O)c2cc(Nc3cscn3)c(O)cc21 ZINC001175944274 1098201467 /nfs/dbraw/zinc/20/14/67/1098201467.db2.gz MFJLYRYKPAHBFY-UHFFFAOYSA-N 0 0 322.345 3.368 20 10 DGCDRN Oc1cc(CN2CCC[C@@H]2c2c(F)cccc2F)cc(O)c1O ZINC001233015701 1098203865 /nfs/dbraw/zinc/20/38/65/1098203865.db2.gz XVOYDTQLGYNETL-CYBMUJFWSA-N 0 0 321.323 3.419 20 10 DGCDRN COc1cccc(CC[N@H+](C)Cc2ccc(F)c(F)c2[O-])c1 ZINC001233077848 1098220637 /nfs/dbraw/zinc/22/06/37/1098220637.db2.gz ZTWHVKLIIAVRQU-UHFFFAOYSA-N 0 0 307.340 3.354 20 10 DGCDRN COc1cccc2c1CC[N@H+](Cc1ccc(F)c(F)c1[O-])C2 ZINC001233079201 1098220887 /nfs/dbraw/zinc/22/08/87/1098220887.db2.gz ZGGZGHILEUTLTH-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN [O-]c1c(C[N@@H+]2CCC[C@H](c3ccccn3)C2)ccc(F)c1F ZINC001233077382 1098221435 /nfs/dbraw/zinc/22/14/35/1098221435.db2.gz MBEKKYCJVSPGBE-LBPRGKRZSA-N 0 0 304.340 3.445 20 10 DGCDRN CC1(C)OCCC12CC[NH+](Cc1ccc(F)c(F)c1[O-])CC2 ZINC001233079007 1098221529 /nfs/dbraw/zinc/22/15/29/1098221529.db2.gz SDDYEUBMYUJRDW-UHFFFAOYSA-N 0 0 311.372 3.452 20 10 DGCDRN CC(=O)N1CC=C(Nc2cccc3c2C(=O)c2ccccc2-3)CC1 ZINC001176037669 1098239571 /nfs/dbraw/zinc/23/95/71/1098239571.db2.gz XDIOISWUAUGZOF-UHFFFAOYSA-N 0 0 318.376 3.446 20 10 DGCDRN Nc1ccc(N(CCO)c2ccc(-c3ccccn3)cc2)cc1 ZINC001176038444 1098239950 /nfs/dbraw/zinc/23/99/50/1098239950.db2.gz PREYEWWALGADDX-UHFFFAOYSA-N 0 0 305.381 3.461 20 10 DGCDRN O=C([O-])Cc1cccc(C(=O)c2ccccc2)c1Nc1[nH]cc[nH+]1 ZINC001176084156 1098244624 /nfs/dbraw/zinc/24/46/24/1098244624.db2.gz LNAZFCFMUYCXLF-UHFFFAOYSA-N 0 0 321.336 3.011 20 10 DGCDRN CCOC(=O)c1c(CN2CCC[C@H](F)C2)c2ccccc2n1C ZINC001233272762 1098270382 /nfs/dbraw/zinc/27/03/82/1098270382.db2.gz ZPAARRVJESVEKT-ZDUSSCGKSA-N 0 0 318.392 3.289 20 10 DGCDRN O=C1c2ccccc2[C@@H]2C[N@H+](Cc3c([O-])ccc(F)c3F)C[C@H]12 ZINC001233332512 1098291344 /nfs/dbraw/zinc/29/13/44/1098291344.db2.gz NLKAOTGNPXWHLE-STQMWFEESA-N 0 0 315.319 3.082 20 10 DGCDRN COc1cccc2c1CN(Cc1c(O)ccc(F)c1F)CC2 ZINC001233331717 1098292702 /nfs/dbraw/zinc/29/27/02/1098292702.db2.gz IFKOQOPFCQJMJR-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN [O-]c1c(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)cccc1C(F)(F)F ZINC001233416691 1098321662 /nfs/dbraw/zinc/32/16/62/1098321662.db2.gz RQYRXJVCYNEUFR-KOLCDFICSA-N 0 0 307.262 3.498 20 10 DGCDRN C[N@H+](CCc1ccncc1)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233417894 1098322017 /nfs/dbraw/zinc/32/20/17/1098322017.db2.gz MEWFIANVWGRBIZ-UHFFFAOYSA-N 0 0 310.319 3.481 20 10 DGCDRN Oc1c(CN2CCCCC23COC3)cccc1C(F)(F)F ZINC001233418854 1098322909 /nfs/dbraw/zinc/32/29/09/1098322909.db2.gz YVHVAOUCARFCPZ-UHFFFAOYSA-N 0 0 301.308 3.166 20 10 DGCDRN C[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CC[C@@]1(C)O ZINC001233415784 1098322924 /nfs/dbraw/zinc/32/29/24/1098322924.db2.gz IQTQFLUHGJCCBC-IINYFYTJSA-N 0 0 303.324 3.004 20 10 DGCDRN CC(C)[C@@H]1CN(Cc2cccc(C(F)(F)F)c2O)CCO1 ZINC001233419257 1098326065 /nfs/dbraw/zinc/32/60/65/1098326065.db2.gz PZTXDJDSVKTLLN-ZDUSSCGKSA-N 0 0 303.324 3.268 20 10 DGCDRN CO[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])[C@H](C)C1 ZINC001233419745 1098326165 /nfs/dbraw/zinc/32/61/65/1098326165.db2.gz LACBCMLDTPDDON-ZYHUDNBSSA-N 0 0 303.324 3.410 20 10 DGCDRN [O-]c1c(C[NH+]2CC(c3cccnc3)C2)cccc1C(F)(F)F ZINC001233418412 1098326452 /nfs/dbraw/zinc/32/64/52/1098326452.db2.gz GIJINCKSEORHQV-UHFFFAOYSA-N 0 0 308.303 3.405 20 10 DGCDRN CC(C)c1nc(CN(C)Cc2cc(O)c(O)cc2O)cs1 ZINC001233485733 1098346865 /nfs/dbraw/zinc/34/68/65/1098346865.db2.gz IYQMLFFVZJLEHC-UHFFFAOYSA-N 0 0 308.403 3.015 20 10 DGCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@H](C)c1cnn(C)c1C ZINC001233495744 1098351015 /nfs/dbraw/zinc/35/10/15/1098351015.db2.gz RKEIFNAFMDMMQH-LLVKDONJSA-N 0 0 318.373 3.263 20 10 DGCDRN CCN1CCc2cc(O[C@H]3C[C@@H](C(=O)OC)C3(C)C)ccc21 ZINC001233602459 1098386687 /nfs/dbraw/zinc/38/66/87/1098386687.db2.gz VCTZOKCPNLEAGU-HOCLYGCPSA-N 0 0 303.402 3.036 20 10 DGCDRN O=C(CCc1ccc(C(F)(F)F)nc1)NCc1ccccc1O ZINC001176855041 1098450142 /nfs/dbraw/zinc/45/01/42/1098450142.db2.gz CKBLIZMGZYTMGY-UHFFFAOYSA-N 0 0 324.302 3.055 20 10 DGCDRN C[C@H](Oc1nc[nH]c2cc(=O)c(O)cc1-2)c1c(F)cccc1F ZINC001233949367 1098464650 /nfs/dbraw/zinc/46/46/50/1098464650.db2.gz FBQPWBNVNABLIK-QMMMGPOBSA-N 0 0 318.279 3.459 20 10 DGCDRN CN(CCC[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC001177122500 1098474209 /nfs/dbraw/zinc/47/42/09/1098474209.db2.gz JMJUFWYFBZBUBW-UHFFFAOYSA-N 0 0 306.356 3.287 20 10 DGCDRN COC(=O)Nc1ccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC001177281855 1098512922 /nfs/dbraw/zinc/51/29/22/1098512922.db2.gz BWXPSVSNMUQTBJ-UHFFFAOYSA-N 0 0 322.311 3.139 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCN1CCCc2ccccc21 ZINC001177519667 1098545913 /nfs/dbraw/zinc/54/59/13/1098545913.db2.gz JMAYMWCHGBPKFV-UHFFFAOYSA-N 0 0 318.367 3.213 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@@H](O)[C@@H](C)C3)c2c1 ZINC001234526143 1098581795 /nfs/dbraw/zinc/58/17/95/1098581795.db2.gz QTXZSIFCLSQFBZ-SCLBCKFNSA-N 0 0 315.413 3.147 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3C[C@@H]4C[C@H]3C[C@@H]4F)c2c1 ZINC001234562444 1098602609 /nfs/dbraw/zinc/60/26/09/1098602609.db2.gz NTXWNFCQXRKLQS-DCGLDWPTSA-N 0 0 301.361 3.486 20 10 DGCDRN Oc1c(F)cc(F)cc1CNc1cccc(-n2cccn2)c1 ZINC001178046063 1098686993 /nfs/dbraw/zinc/68/69/93/1098686993.db2.gz HEJIOKLCMJHQSV-UHFFFAOYSA-N 0 0 301.296 3.468 20 10 DGCDRN CCOCCC1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001178276397 1098773946 /nfs/dbraw/zinc/77/39/46/1098773946.db2.gz POSQAGWRMMHXLI-UHFFFAOYSA-N 0 0 301.789 3.481 20 10 DGCDRN CC(C)c1cccc(CC(=O)N2CCc3cccc(O)c3C2)n1 ZINC001178449283 1098820563 /nfs/dbraw/zinc/82/05/63/1098820563.db2.gz VRAPOHHCQRXQKC-UHFFFAOYSA-N 0 0 310.397 3.038 20 10 DGCDRN Cc1cc(C)c(OCC(=O)NCc2c(O)cccc2F)c(C)c1 ZINC001178409196 1098825653 /nfs/dbraw/zinc/82/56/53/1098825653.db2.gz ABRXCLDZEQIUAC-UHFFFAOYSA-N 0 0 317.360 3.152 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001178413705 1098827625 /nfs/dbraw/zinc/82/76/25/1098827625.db2.gz XANXJGLLAQIIDY-UHFFFAOYSA-N 0 0 324.695 3.023 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1csc(-c2ccoc2)n1 ZINC001178413664 1098827918 /nfs/dbraw/zinc/82/79/18/1098827918.db2.gz VPEUDEOIGBUSHA-UHFFFAOYSA-N 0 0 318.329 3.178 20 10 DGCDRN O=C(CCc1ccc(Cl)s1)NCc1c(O)cccc1O ZINC001178912694 1098970390 /nfs/dbraw/zinc/97/03/90/1098970390.db2.gz WQDIBVFUVNRKCS-UHFFFAOYSA-N 0 0 311.790 3.062 20 10 DGCDRN CC(C)CO[C@H](C)C(=O)NCc1c(O)ccc2ccccc21 ZINC001179029873 1099004728 /nfs/dbraw/zinc/00/47/28/1099004728.db2.gz USSRHWTXQVYVJD-CYBMUJFWSA-N 0 0 301.386 3.223 20 10 DGCDRN CC[C@@H](C)[C@H](OC)C(=O)NCc1c(O)ccc2ccccc21 ZINC001179033578 1099005905 /nfs/dbraw/zinc/00/59/05/1099005905.db2.gz YWDIZSDARCZRCZ-PXAZEXFGSA-N 0 0 301.386 3.223 20 10 DGCDRN CC[C@H](C)[C@H](OC)C(=O)NCc1c(O)ccc2ccccc21 ZINC001179033579 1099006101 /nfs/dbraw/zinc/00/61/01/1099006101.db2.gz YWDIZSDARCZRCZ-SJCJKPOMSA-N 0 0 301.386 3.223 20 10 DGCDRN CC(C)[C@@H]1C[NH2+]CCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC001235452243 1099042088 /nfs/dbraw/zinc/04/20/88/1099042088.db2.gz CQDCQRIOOULELA-ZDUSSCGKSA-N 0 0 303.233 3.129 20 10 DGCDRN CC(C)(C)c1ccc(CN2CC(F)(F)C[C@]2(C)CO)c(O)c1 ZINC001235673954 1099116394 /nfs/dbraw/zinc/11/63/94/1099116394.db2.gz BYGQSOCZGNMAGQ-MRXNPFEDSA-N 0 0 313.388 3.282 20 10 DGCDRN Cc1nc2ccccn2c1NC(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180124025 1099321640 /nfs/dbraw/zinc/32/16/40/1099321640.db2.gz WZLLPDHYNKKOGR-FMIVXFBMSA-N 0 0 320.396 3.361 20 10 DGCDRN Cc1cccc2ncc(NC(=O)/C=C/c3ccc(N(C)C)cc3)n21 ZINC001180122883 1099321964 /nfs/dbraw/zinc/32/19/64/1099321964.db2.gz IMWXSDOMGPOPRG-FMIVXFBMSA-N 0 0 320.396 3.361 20 10 DGCDRN COC(=O)c1csc(CN2CCc3cc(OC)ccc32)c1 ZINC001180296303 1099375835 /nfs/dbraw/zinc/37/58/35/1099375835.db2.gz GATSMEZCUSMQGW-UHFFFAOYSA-N 0 0 303.383 3.106 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1cn(C)cn1 ZINC001180440526 1099408685 /nfs/dbraw/zinc/40/86/85/1099408685.db2.gz SIMCLWBRTPWMJA-UHFFFAOYSA-N 0 0 322.412 3.066 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1cc(Cl)ncc1F ZINC001180419625 1099416857 /nfs/dbraw/zinc/41/68/57/1099416857.db2.gz BLMIPUMLBXCOEW-UHFFFAOYSA-N 0 0 315.131 3.163 20 10 DGCDRN CCC[C@@H]1C[NH2+]CCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC001236132811 1099420633 /nfs/dbraw/zinc/42/06/33/1099420633.db2.gz OZYSIEOIRCSTOG-GFCCVEGCSA-N 0 0 303.233 3.273 20 10 DGCDRN CCCC[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CC[NH2+]1 ZINC001236143170 1099428321 /nfs/dbraw/zinc/42/83/21/1099428321.db2.gz SRFZGOSFGZHTCI-CYBMUJFWSA-N 0 0 300.805 3.149 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2CC1Cc2ccccc2C1 ZINC001180646341 1099481949 /nfs/dbraw/zinc/48/19/49/1099481949.db2.gz JNTNQUZYPUGHHK-UHFFFAOYSA-N 0 0 308.425 3.366 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN(C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236235586 1099488471 /nfs/dbraw/zinc/48/84/71/1099488471.db2.gz DZCPRSCUBVPCNB-CYBMUJFWSA-N 0 0 315.244 3.415 20 10 DGCDRN CC(C)COCC(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001180754547 1099499708 /nfs/dbraw/zinc/49/97/08/1099499708.db2.gz XIKSXBXYVNEXDV-UHFFFAOYSA-N 0 0 312.413 3.475 20 10 DGCDRN O=C(c1ccoc1C(F)(F)F)N1CCc2cccc(O)c2C1 ZINC001187720268 1099585684 /nfs/dbraw/zinc/58/56/84/1099585684.db2.gz YRSVZYRDGZAFPM-UHFFFAOYSA-N 0 0 311.259 3.203 20 10 DGCDRN COc1ccc(Cl)cc1NC(=O)NCc1ccc(O)cc1O ZINC001187935988 1099639265 /nfs/dbraw/zinc/63/92/65/1099639265.db2.gz COPQRRGANISARK-UHFFFAOYSA-N 0 0 322.748 3.082 20 10 DGCDRN CCCc1onc(C)c1C(=O)NCc1c(C)cc(C)cc1O ZINC001187946482 1099641252 /nfs/dbraw/zinc/64/12/52/1099641252.db2.gz DAGDZXCKDWQJPX-UHFFFAOYSA-N 0 0 302.374 3.188 20 10 DGCDRN O=C(NCc1ccccc1O)c1ccccc1-c1cccnc1 ZINC001188043498 1099660638 /nfs/dbraw/zinc/66/06/38/1099660638.db2.gz VSDMXJSVFPLJDL-UHFFFAOYSA-N 0 0 304.349 3.384 20 10 DGCDRN CSCC[N@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC001236671725 1099737067 /nfs/dbraw/zinc/73/70/67/1099737067.db2.gz WOSVESUDHRSNKI-UHFFFAOYSA-N 0 0 304.253 3.258 20 10 DGCDRN CCc1ccc(C[N@@H+]2CCC[C@@H](c3noc(C)n3)C2)c(O)c1 ZINC001236782298 1099779810 /nfs/dbraw/zinc/77/98/10/1099779810.db2.gz AFQAUOWQXDCUEF-OAHLLOKOSA-N 0 0 301.390 3.026 20 10 DGCDRN COC(=O)c1cc(Cl)cc(C[N@H+](C)Cc2ccccc2O)c1 ZINC001236779055 1099781140 /nfs/dbraw/zinc/78/11/40/1099781140.db2.gz TVTDSRSNKBPYDQ-UHFFFAOYSA-N 0 0 319.788 3.464 20 10 DGCDRN CCOC(=O)[C@@H]1CCCN1Cc1cc(Cl)c(Cl)cc1O ZINC001236797645 1099791192 /nfs/dbraw/zinc/79/11/92/1099791192.db2.gz CZKRWIICFJEQJS-LBPRGKRZSA-N 0 0 318.200 3.227 20 10 DGCDRN COc1ccc(C[N@@H+]2CCc3cc(O)ccc3C2)c([O-])c1Cl ZINC001236802268 1099798092 /nfs/dbraw/zinc/79/80/92/1099798092.db2.gz QYWLHHKHZIHECF-UHFFFAOYSA-N 0 0 319.788 3.318 20 10 DGCDRN FC1(F)CCN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236928136 1099879101 /nfs/dbraw/zinc/87/91/01/1099879101.db2.gz JABXIFKGIRCBDJ-UHFFFAOYSA-N 0 0 316.779 3.018 20 10 DGCDRN CC(C)c1ccc(C[NH+]2CC(N3CCC(F)CC3)C2)c(O)c1 ZINC001237050232 1099944045 /nfs/dbraw/zinc/94/40/45/1099944045.db2.gz ZQDNTUGRARCFLG-UHFFFAOYSA-N 0 0 306.425 3.134 20 10 DGCDRN CC(C)c1ccc(CN2CCO[C@H](c3ccccn3)C2)c(O)c1 ZINC001237049727 1099944196 /nfs/dbraw/zinc/94/41/96/1099944196.db2.gz SASCSHCGFIZKIK-IBGZPJMESA-N 0 0 312.413 3.484 20 10 DGCDRN COc1cc(O)c(CN2C[C@H](F)C[C@H]2C)c(Br)c1 ZINC001237063535 1099953594 /nfs/dbraw/zinc/95/35/94/1099953594.db2.gz SYNQXMDGLCOUHV-RKDXNWHRSA-N 0 0 318.186 3.096 20 10 DGCDRN [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001237084549 1099960867 /nfs/dbraw/zinc/96/08/67/1099960867.db2.gz KIFZFGZRHQBQPT-RNCFNFMXSA-N 0 0 302.201 3.310 20 10 DGCDRN O=C1CCN(Cc2c(O)ccc(Cl)c2Cl)CC1(F)F ZINC001237085260 1099964635 /nfs/dbraw/zinc/96/46/35/1099964635.db2.gz WWIWQCUUFJWBCV-UHFFFAOYSA-N 0 0 310.127 3.109 20 10 DGCDRN Oc1ccc(F)c(Cl)c1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC001237126379 1099985216 /nfs/dbraw/zinc/98/52/16/1099985216.db2.gz JPYXLKYESYZSAN-GFCCVEGCSA-N 0 0 312.816 3.245 20 10 DGCDRN Oc1ccc(C(F)(F)F)cc1CN1CCOC[C@H]1C1CC1 ZINC001237138977 1099990637 /nfs/dbraw/zinc/99/06/37/1099990637.db2.gz AQXNEMNHFGAVFJ-ZDUSSCGKSA-N 0 0 301.308 3.022 20 10 DGCDRN Cc1nc2c(o1)CCN(Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001237144905 1099995897 /nfs/dbraw/zinc/99/58/97/1099995897.db2.gz VBQTVNMSDUPMOH-UHFFFAOYSA-N 0 0 312.291 3.266 20 10 DGCDRN CCCCN(CCCC)c1ccc(CN2CC(C)(O)C2)c(O)c1 ZINC001237215180 1100033677 /nfs/dbraw/zinc/03/36/77/1100033677.db2.gz KJNOYXZVFLAJBL-UHFFFAOYSA-N 0 0 320.477 3.365 20 10 DGCDRN CC(C)(C)[NH+]1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001237620462 1100190256 /nfs/dbraw/zinc/19/02/56/1100190256.db2.gz MYHNPRSYCDFCOF-UHFFFAOYSA-N 0 0 300.805 3.101 20 10 DGCDRN C[N@@H+]1CCN(Cc2cc(Cl)cc(F)c2[O-])C2(CCCC2)C1 ZINC001237624641 1100191926 /nfs/dbraw/zinc/19/19/26/1100191926.db2.gz XECDOJGEQITACG-UHFFFAOYSA-N 0 0 312.816 3.245 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2nc(C)co2)C1 ZINC001237644576 1100200688 /nfs/dbraw/zinc/20/06/88/1100200688.db2.gz FNEUMORFPZBFTF-UHFFFAOYSA-N 0 0 311.385 3.042 20 10 DGCDRN COc1cc(CN2CCC[C@@H]2c2cc(C)on2)c(O)c(OC)c1 ZINC001237675381 1100209918 /nfs/dbraw/zinc/20/99/18/1100209918.db2.gz WVTUJXQHFVYONC-OAHLLOKOSA-N 0 0 318.373 3.043 20 10 DGCDRN Cc1cc(O)c(CN2Cc3cccnc3C2)cc1Br ZINC001237676286 1100210730 /nfs/dbraw/zinc/21/07/30/1100210730.db2.gz HYOOFIFREUXJGC-UHFFFAOYSA-N 0 0 319.202 3.374 20 10 DGCDRN Cc1cc(Cl)cc(CN2CCOC[C@H]2c2cccnc2)c1O ZINC001237690322 1100213737 /nfs/dbraw/zinc/21/37/37/1100213737.db2.gz WESHSPDLJAPJID-INIZCTEOSA-N 0 0 318.804 3.323 20 10 DGCDRN Cc1cc(O)c(CN2CC(C(F)F)C2)cc1Br ZINC001237685113 1100214646 /nfs/dbraw/zinc/21/46/46/1100214646.db2.gz OEDTYEICSGWWGH-UHFFFAOYSA-N 0 0 306.150 3.160 20 10 DGCDRN CC(C)C[N@H+](C)Cc1cccc(I)c1[O-] ZINC001237787457 1100246675 /nfs/dbraw/zinc/24/66/75/1100246675.db2.gz SPCYFHXLAOEUKM-UHFFFAOYSA-N 0 0 319.186 3.085 20 10 DGCDRN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC001237801367 1100250592 /nfs/dbraw/zinc/25/05/92/1100250592.db2.gz HNRMFDWDFFWBAA-CQSZACIVSA-N 0 0 322.767 3.233 20 10 DGCDRN Cc1cccc(CNS(=O)(=O)c2ccc(C3CC3)cc2)c1O ZINC001190525326 1100286815 /nfs/dbraw/zinc/28/68/15/1100286815.db2.gz HHVDYODOZMRTAV-UHFFFAOYSA-N 0 0 317.410 3.057 20 10 DGCDRN Oc1cc(Cl)c(F)cc1CN1CC(Oc2ccccc2)C1 ZINC001237936809 1100297471 /nfs/dbraw/zinc/29/74/71/1100297471.db2.gz MRJPUJRJBPOKAR-UHFFFAOYSA-N 0 0 307.752 3.448 20 10 DGCDRN Cc1cc(F)cc(CN2[C@@H](CO)CCC[C@@H]2C(F)(F)F)c1O ZINC001238057825 1100344338 /nfs/dbraw/zinc/34/43/38/1100344338.db2.gz OFJHRHKMMSDNNL-CHWSQXEVSA-N 0 0 321.314 3.117 20 10 DGCDRN O=c1cc(-c2cnn(C(F)F)c2)ccn1Cc1ccccc1F ZINC001238868849 1100549101 /nfs/dbraw/zinc/54/91/01/1100549101.db2.gz JSKGZSYHDSVCDW-UHFFFAOYSA-N 0 0 319.286 3.294 20 10 DGCDRN Cc1cc(NC(=O)N2CCc3cccc(O)c3C2)ccc1F ZINC001192383566 1100613158 /nfs/dbraw/zinc/61/31/58/1100613158.db2.gz SRUCEBWRHCABQU-UHFFFAOYSA-N 0 0 300.333 3.430 20 10 DGCDRN CNc1ccc(-c2ccn(Cc3ccccc3)c(=O)c2)c(F)n1 ZINC001239428298 1100662368 /nfs/dbraw/zinc/66/23/68/1100662368.db2.gz GFYJETLWHODUQA-UHFFFAOYSA-N 0 0 309.344 3.139 20 10 DGCDRN Cc1cc(-c2nccn2C)c(-c2cn(C)c3ccccc23)nn1 ZINC001239530920 1100684277 /nfs/dbraw/zinc/68/42/77/1100684277.db2.gz GOCLGGSNKXYRQK-UHFFFAOYSA-N 0 0 303.369 3.344 20 10 DGCDRN CCc1cccc(CC)c1NC(=O)c1cc(O)c(O)c(OC)c1 ZINC001193104586 1100706089 /nfs/dbraw/zinc/70/60/89/1100706089.db2.gz NWTQMSATFMBEMU-UHFFFAOYSA-N 0 0 315.369 3.484 20 10 DGCDRN COc1cc(C(=O)N[C@H](C)c2cccc(C)c2C)cc(O)c1O ZINC001193118786 1100707787 /nfs/dbraw/zinc/70/77/87/1100707787.db2.gz BHXOUZKQQZARDY-GFCCVEGCSA-N 0 0 315.369 3.214 20 10 DGCDRN CC[C@@H](C)C1CCC(NC(=O)c2cc(O)c(O)c(OC)c2)CC1 ZINC001193120342 1100707875 /nfs/dbraw/zinc/70/78/75/1100707875.db2.gz UHJACWPXVUUFOX-LKSINWNRSA-N 0 0 321.417 3.441 20 10 DGCDRN CC[C@@H](C)NC(=O)c1csc(-c2ccc(N(C)C)cc2)n1 ZINC001193175292 1100710465 /nfs/dbraw/zinc/71/04/65/1100710465.db2.gz CXXRDERJIYXHFE-LLVKDONJSA-N 0 0 303.431 3.404 20 10 DGCDRN C[C@@H](NC(=O)N1CCc2cccc(O)c2C1)c1ccc(F)cc1 ZINC001193131163 1100710853 /nfs/dbraw/zinc/71/08/53/1100710853.db2.gz BZAMYMADCFKCNH-GFCCVEGCSA-N 0 0 314.360 3.360 20 10 DGCDRN C[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2Cl)CCC1(F)F ZINC001193218452 1100717342 /nfs/dbraw/zinc/71/73/42/1100717342.db2.gz ACIWWBQXAXCPNB-MRVPVSSYSA-N 0 0 319.735 3.259 20 10 DGCDRN O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(O)c(O)c1Cl ZINC001193236696 1100719663 /nfs/dbraw/zinc/71/96/63/1100719663.db2.gz NKUPVIGPWFPGHI-UHFFFAOYSA-N 0 0 321.804 3.306 20 10 DGCDRN CCc1nc(OC)ccc1-c1ccn(CC(F)(F)F)c(=O)c1 ZINC001239778328 1100753897 /nfs/dbraw/zinc/75/38/97/1100753897.db2.gz CQOVVZPTGKWSLX-UHFFFAOYSA-N 0 0 312.291 3.044 20 10 DGCDRN COc1cncc(-c2ccn(Cc3ccccc3F)c(=O)c2)c1 ZINC001239932372 1100803514 /nfs/dbraw/zinc/80/35/14/1100803514.db2.gz JJLJNVIFPFDWDO-UHFFFAOYSA-N 0 0 310.328 3.106 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)OCC(C)(C)C)CC2)cc1 ZINC001194378461 1100923236 /nfs/dbraw/zinc/92/32/36/1100923236.db2.gz QVUFDBGNERMMAT-UHFFFAOYSA-N 0 0 320.433 3.390 20 10 DGCDRN Cn1cc(-c2ncnc3c2ccn3Cc2cccc(F)c2)cn1 ZINC001240293307 1100928627 /nfs/dbraw/zinc/92/86/27/1100928627.db2.gz AMMGESOWDFBCOE-UHFFFAOYSA-N 0 0 307.332 3.019 20 10 DGCDRN CCN(c1ccccc1)c1cc(-c2ccc(=O)n(C)c2)ncn1 ZINC001240329668 1100944507 /nfs/dbraw/zinc/94/45/07/1100944507.db2.gz DQMQFGRMFCRYMM-UHFFFAOYSA-N 0 0 306.369 3.000 20 10 DGCDRN COc1ccc(OC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC001194528343 1100959276 /nfs/dbraw/zinc/95/92/76/1100959276.db2.gz UOTMXZBLETVPDD-UHFFFAOYSA-N 0 0 314.385 3.392 20 10 DGCDRN Fc1ccccc1Cn1ccc2c1ncnc2-c1cncnc1 ZINC001240372900 1100964645 /nfs/dbraw/zinc/96/46/45/1100964645.db2.gz OABSIJXSZMKXRG-UHFFFAOYSA-N 0 0 305.316 3.076 20 10 DGCDRN Cc1c(-c2nnc(C)cc2-c2nc3ccccc3n2C)cnn1C ZINC001240380011 1100966034 /nfs/dbraw/zinc/96/60/34/1100966034.db2.gz AZABGKMGBFKNRB-UHFFFAOYSA-N 0 0 318.384 3.048 20 10 DGCDRN Cc1cccc(C)c1S(=O)(=O)N[C@@H](C)c1ccccc1O ZINC001194656300 1100982624 /nfs/dbraw/zinc/98/26/24/1100982624.db2.gz MXZZDVTUDRPZHP-ZDUSSCGKSA-N 0 0 305.399 3.049 20 10 DGCDRN CC[C@H](C)COC(=O)N1CCN(c2ccc(OC)cc2C)CC1 ZINC001194795471 1101005569 /nfs/dbraw/zinc/00/55/69/1101005569.db2.gz DXUYZGWYVQKAKS-AWEZNQCLSA-N 0 0 320.433 3.308 20 10 DGCDRN COC(=O)C(C)(C)c1ncc(-c2ccc3ccn(C)c3c2)cn1 ZINC001240574766 1101055656 /nfs/dbraw/zinc/05/56/56/1101055656.db2.gz BZZXVGRBLACHKN-UHFFFAOYSA-N 0 0 309.369 3.086 20 10 DGCDRN Cn1ccc2ccc(-c3cnn(Cc4ccccc4)c(=O)c3)cc21 ZINC001240573493 1101055992 /nfs/dbraw/zinc/05/59/92/1101055992.db2.gz DSUYILHOXSMOFZ-UHFFFAOYSA-N 0 0 315.376 3.450 20 10 DGCDRN CCOC(=O)c1nnc2ccc(-c3ccc4ccn(C)c4c3)cn21 ZINC001240575828 1101057015 /nfs/dbraw/zinc/05/70/15/1101057015.db2.gz DXXUNXYMVNVFGW-UHFFFAOYSA-N 0 0 320.352 3.065 20 10 DGCDRN O=c1cc(-c2ccc(N3CCCCC3)nc2)ccn1CC1CC1 ZINC001240586486 1101061891 /nfs/dbraw/zinc/06/18/91/1101061891.db2.gz UDVWEKBWKQKYAV-UHFFFAOYSA-N 0 0 309.413 3.311 20 10 DGCDRN CCNC(=S)Nc1ccccc1C(=O)c1ccc(F)cc1 ZINC001195300475 1101117677 /nfs/dbraw/zinc/11/76/77/1101117677.db2.gz UZCRKZHBVSTLOB-UHFFFAOYSA-N 0 0 302.374 3.363 20 10 DGCDRN Cc1cc[nH]c1C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001195500006 1101150878 /nfs/dbraw/zinc/15/08/78/1101150878.db2.gz QEEQLJCFMDWGFJ-UHFFFAOYSA-N 0 0 315.760 3.160 20 10 DGCDRN Cc1ccc(F)cc1NC(=S)NCc1cccc(O)c1O ZINC001195936329 1101224501 /nfs/dbraw/zinc/22/45/01/1101224501.db2.gz FSWQQMGCPCDIAN-UHFFFAOYSA-N 0 0 306.362 3.032 20 10 DGCDRN COc1ccccc1NC(=S)NCc1cc(Cl)ccn1 ZINC001196221352 1101269014 /nfs/dbraw/zinc/26/90/14/1101269014.db2.gz SEXCKCYXMLBVDZ-UHFFFAOYSA-N 0 0 307.806 3.230 20 10 DGCDRN CCN(Cc1ccccc1O)S(=O)(=O)c1ccc(C)cc1F ZINC001196372776 1101293828 /nfs/dbraw/zinc/29/38/28/1101293828.db2.gz LNWPMNJZFZPYOT-UHFFFAOYSA-N 0 0 323.389 3.051 20 10 DGCDRN Cc1cc(N(C)C)ncc1-c1ccn(Cc2ccccc2)c(=O)c1 ZINC001241250250 1101321076 /nfs/dbraw/zinc/32/10/76/1101321076.db2.gz JVOCLNOOTOVGFB-UHFFFAOYSA-N 0 0 319.408 3.333 20 10 DGCDRN Fc1cnc(C2=CCN(c3ccccc3)CC2)c2nccnc12 ZINC001241346332 1101392578 /nfs/dbraw/zinc/39/25/78/1101392578.db2.gz RDKNEIRZWWGQSE-UHFFFAOYSA-N 0 0 306.344 3.458 20 10 DGCDRN COC(OC)c1nccnc1C1=CCN(c2ccccc2)CC1 ZINC001241346558 1101393610 /nfs/dbraw/zinc/39/36/10/1101393610.db2.gz WUODJKHAZBTZLU-UHFFFAOYSA-N 0 0 311.385 3.062 20 10 DGCDRN COc1ncc(-c2ccn(Cc3ccccc3F)c(=O)c2)s1 ZINC001241417844 1101444597 /nfs/dbraw/zinc/44/45/97/1101444597.db2.gz NMNRINHEJWSBRD-UHFFFAOYSA-N 0 0 316.357 3.168 20 10 DGCDRN Oc1cccc(NC(=S)NCc2ccc(Cl)cc2)c1O ZINC001197580998 1101591510 /nfs/dbraw/zinc/59/15/10/1101591510.db2.gz NKCKWJTWECIMHN-UHFFFAOYSA-N 0 0 308.790 3.238 20 10 DGCDRN CSc1ccc(-c2ccn(Cc3cccnc3)c(=O)c2)cn1 ZINC001241637151 1101599099 /nfs/dbraw/zinc/59/90/99/1101599099.db2.gz RSAHSGMPYWEAHP-UHFFFAOYSA-N 0 0 309.394 3.076 20 10 DGCDRN Oc1cccc2c1CN(C(=S)Nc1cccc(F)c1)CC2 ZINC001197632913 1101633712 /nfs/dbraw/zinc/63/37/12/1101633712.db2.gz LJOXNNAHSDCOBB-UHFFFAOYSA-N 0 0 302.374 3.286 20 10 DGCDRN CCOc1ncc(-c2cccc3c2ccn3C)cc1C(=O)OC ZINC001241822427 1101728550 /nfs/dbraw/zinc/72/85/50/1101728550.db2.gz VKSNAVFJPVQECC-UHFFFAOYSA-N 0 0 310.353 3.426 20 10 DGCDRN Cn1ccc2c1cccc2-c1cncc(C(=O)N2CCCC2)c1 ZINC001241824531 1101729680 /nfs/dbraw/zinc/72/96/80/1101729680.db2.gz PYIZOURLGNTVES-UHFFFAOYSA-N 0 0 305.381 3.476 20 10 DGCDRN Cn1ccc2c1cccc2-c1cnc(OC2CCOCC2)cn1 ZINC001241824207 1101730351 /nfs/dbraw/zinc/73/03/51/1101730351.db2.gz MXKJKAHDXROSMI-UHFFFAOYSA-N 0 0 309.369 3.193 20 10 DGCDRN c1nn(C2CC2)cc1-c1cc(N2CCc3ccccc32)ncn1 ZINC001241907329 1101774257 /nfs/dbraw/zinc/77/42/57/1101774257.db2.gz WFVWGVIKUWVVSK-UHFFFAOYSA-N 0 0 303.369 3.369 20 10 DGCDRN COc1c(C)ccc(F)c1C(=O)N1CCc2cccc(O)c2C1 ZINC001198263253 1101788580 /nfs/dbraw/zinc/78/85/80/1101788580.db2.gz JAULTKQDADGDMR-UHFFFAOYSA-N 0 0 315.344 3.047 20 10 DGCDRN Fc1ccc(Cn2ccc3c2ncnc3-c2ccnnc2)cc1 ZINC001242045816 1101876082 /nfs/dbraw/zinc/87/60/82/1101876082.db2.gz CKKWNQMBYNBGMR-UHFFFAOYSA-N 0 0 305.316 3.076 20 10 DGCDRN O=C(c1cccnc1-c1ccc(=O)[nH]c1)N1CCc2ccccc21 ZINC001242062143 1101887718 /nfs/dbraw/zinc/88/77/18/1101887718.db2.gz IDVPCGHIYDCZEB-UHFFFAOYSA-N 0 0 317.348 3.052 20 10 DGCDRN C[C@@H]1CC[C@H](C[NH3+])N(Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001205845127 1101934707 /nfs/dbraw/zinc/93/47/07/1101934707.db2.gz ZGACASNWYDAUDT-MWLCHTKSSA-N 0 0 303.233 3.258 20 10 DGCDRN CC(=O)c1ccc(-c2ccn(Cc3cccc(F)c3)c(=O)c2)cn1 ZINC001242402286 1102107758 /nfs/dbraw/zinc/10/77/58/1102107758.db2.gz WSYYSSHUHUOIST-UHFFFAOYSA-N 0 0 322.339 3.300 20 10 DGCDRN COC(=O)Nc1ccc(NCc2cc(F)cc(F)c2O)cc1 ZINC001199554620 1102157312 /nfs/dbraw/zinc/15/73/12/1102157312.db2.gz UCXOJJYEBBHZIF-UHFFFAOYSA-N 0 0 308.284 3.461 20 10 DGCDRN CN(C)c1ccc(CN2CC[C@@H]2N(C)C(=O)OC(C)(C)C)cc1 ZINC001203936272 1102158185 /nfs/dbraw/zinc/15/81/85/1102158185.db2.gz FYHAIRVNMMHCIG-MRXNPFEDSA-N 0 0 319.449 3.151 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC001199811842 1102219425 /nfs/dbraw/zinc/21/94/25/1102219425.db2.gz DNIPAOWWORLLJE-UHFFFAOYSA-N 0 0 315.323 3.146 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=S)Nc1cccnc1 ZINC001199900140 1102233221 /nfs/dbraw/zinc/23/32/21/1102233221.db2.gz NRZBVMIXWUDENW-UHFFFAOYSA-N 0 0 314.458 3.367 20 10 DGCDRN Cn1c(=O)ccc2ccc(-c3cncc(N4CCCC4)c3)cc21 ZINC001242623172 1102247354 /nfs/dbraw/zinc/24/73/54/1102247354.db2.gz NHXOHLFSLZGNTQ-UHFFFAOYSA-N 0 0 305.381 3.201 20 10 DGCDRN Cc1ccc(CNC(=S)Nc2ccc(-n3cccn3)cc2)nc1 ZINC001200889403 1102432364 /nfs/dbraw/zinc/43/23/64/1102432364.db2.gz UMDSRWFPBRYUFV-UHFFFAOYSA-N 0 0 323.425 3.062 20 10 DGCDRN CC(C)(C)NC(=S)NCc1ccc(N2CCCCC2)cc1 ZINC001200915176 1102435846 /nfs/dbraw/zinc/43/58/46/1102435846.db2.gz WEZYBVZEOBTAOC-UHFFFAOYSA-N 0 0 305.491 3.440 20 10 DGCDRN COCc1cncc(-c2ccn(Cc3ccccc3)c(=O)c2)c1 ZINC001242956720 1102439887 /nfs/dbraw/zinc/43/98/87/1102439887.db2.gz CMCPNJQYVCEJQF-UHFFFAOYSA-N 0 0 306.365 3.105 20 10 DGCDRN Cc1cc(NC(=S)NCc2ccc(O)cc2O)ccc1F ZINC001201043928 1102481027 /nfs/dbraw/zinc/48/10/27/1102481027.db2.gz VMLCVFFXMFGFIA-UHFFFAOYSA-N 0 0 306.362 3.032 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CCCOCC2)c1 ZINC001201703097 1102693950 /nfs/dbraw/zinc/69/39/50/1102693950.db2.gz DTMWVVWNWNEBKA-GFCCVEGCSA-N 0 0 314.223 3.122 20 10 DGCDRN CC(C)[C@H](O)C1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001201684210 1102704513 /nfs/dbraw/zinc/70/45/13/1102704513.db2.gz GDRBUTFAXVFWLF-AWEZNQCLSA-N 0 0 301.789 3.071 20 10 DGCDRN OCc1ccc(-c2ncnc3c2ccn3Cc2ccccc2)cn1 ZINC001243467633 1102740559 /nfs/dbraw/zinc/74/05/59/1102740559.db2.gz YRDAOXDBERHTJZ-UHFFFAOYSA-N 0 0 316.364 3.034 20 10 DGCDRN Nc1ccc(Cl)cc1-c1ccn(Cc2cccnc2)c(=O)c1 ZINC001243486763 1102751152 /nfs/dbraw/zinc/75/11/52/1102751152.db2.gz ZEQLEAPTWYHCPQ-UHFFFAOYSA-N 0 0 311.772 3.194 20 10 DGCDRN CC(=O)N1CCc2c1cccc2NCc1cc(F)cc(F)c1O ZINC001202092334 1102825198 /nfs/dbraw/zinc/82/51/98/1102825198.db2.gz GPFUGPCZGPWSNL-UHFFFAOYSA-N 0 0 318.323 3.192 20 10 DGCDRN CSc1ccc(-c2ccn(Cc3cccnc3)c(=O)c2)c(C)n1 ZINC001243593430 1102835710 /nfs/dbraw/zinc/83/57/10/1102835710.db2.gz JWRKLNMOFXBOMA-UHFFFAOYSA-N 0 0 323.421 3.384 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(CCC(F)(F)F)C1 ZINC001202346235 1102936638 /nfs/dbraw/zinc/93/66/38/1102936638.db2.gz NZTNVUQAOXQBNA-UHFFFAOYSA-N 0 0 312.335 3.497 20 10 DGCDRN Cc1cccc(NC(=O)N2CCCc3cc(O)c(O)cc3C2)c1 ZINC001202313899 1102938245 /nfs/dbraw/zinc/93/82/45/1102938245.db2.gz ZYTCUEXFPCIOEW-UHFFFAOYSA-N 0 0 312.369 3.387 20 10 DGCDRN COc1nccc(SC)c1-c1ccn(CC(C)C)c(=O)c1 ZINC001243728320 1102945416 /nfs/dbraw/zinc/94/54/16/1102945416.db2.gz ZTPAFHSHBRCWPA-UHFFFAOYSA-N 0 0 304.415 3.297 20 10 DGCDRN Cc1nc(OCC(C)C)ccc1-c1ccc2ncc(=O)n(C)c2c1 ZINC001243795812 1102981315 /nfs/dbraw/zinc/98/13/15/1102981315.db2.gz LYGPSDPJOCCHFR-UHFFFAOYSA-N 0 0 323.396 3.339 20 10 DGCDRN Cc1cc(O)c(CN2CCN(C(=O)CC(C)C)CC2)c(Cl)c1 ZINC001325580301 1103073433 /nfs/dbraw/zinc/07/34/33/1103073433.db2.gz BBGLLZWQYFUUKP-UHFFFAOYSA-N 0 0 324.852 3.044 20 10 DGCDRN CO[C@@H]1CCC[N@H+](Cc2cccc(Br)c2[O-])CC1 ZINC000692063173 1103074476 /nfs/dbraw/zinc/07/44/76/1103074476.db2.gz MAMWMFCTFCXUIN-GFCCVEGCSA-N 0 0 314.223 3.156 20 10 DGCDRN Oc1cccc(Cl)c1CN1CCO[C@@H](C(F)(F)F)CC1 ZINC000687288149 1103091763 /nfs/dbraw/zinc/09/17/63/1103091763.db2.gz QXQVRLZVQALMRJ-GFCCVEGCSA-N 0 0 309.715 3.199 20 10 DGCDRN COCCn1ccc2c1ncnc2-c1cc(C2CC2)cnc1C ZINC001244141389 1103231464 /nfs/dbraw/zinc/23/14/64/1103231464.db2.gz WQGHQEVDMXQBMA-UHFFFAOYSA-N 0 0 308.385 3.326 20 10 DGCDRN CCN1CCN(C(=O)/C(C)=C\c2cccnc2)c2ccccc21 ZINC001326767266 1103434689 /nfs/dbraw/zinc/43/46/89/1103434689.db2.gz BWVYONIIIKUAFI-SQFISAMPSA-N 0 0 307.397 3.358 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)c1ccnc(C2CC2)c1 ZINC001327166021 1103564578 /nfs/dbraw/zinc/56/45/78/1103564578.db2.gz CQTTUDKGXXWHCS-UHFFFAOYSA-N 0 0 314.732 3.401 20 10 DGCDRN CCOc1ncc(-c2ccn(Cc3ccncc3)c(=O)c2)cc1C ZINC001244683674 1103620588 /nfs/dbraw/zinc/62/05/88/1103620588.db2.gz LTMWOXXFNUZOBF-UHFFFAOYSA-N 0 0 321.380 3.061 20 10 DGCDRN CSc1ncc(C)cc1-c1ccn(Cc2ccncc2)c(=O)c1 ZINC001244884880 1103742255 /nfs/dbraw/zinc/74/22/55/1103742255.db2.gz LDWLRBDVLFMCEP-UHFFFAOYSA-N 0 0 323.421 3.384 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H](C)CC(F)F ZINC001328134228 1103855500 /nfs/dbraw/zinc/85/55/00/1103855500.db2.gz JGHHDMFGNZZESA-NSHDSACASA-N 0 0 313.392 3.152 20 10 DGCDRN CC(C)n1cc2c(n1)[C@@H](NC(=O)C1=CC(=O)CS1)CCC2 ZINC001329211774 1104189255 /nfs/dbraw/zinc/18/92/55/1104189255.db2.gz ZBTAQGHMQJROTM-LBPRGKRZSA-N 0 0 305.403 3.039 20 10 DGCDRN COC(=O)c1cnc(-c2ccc(Cl)nc2C)c2ccn(C)c21 ZINC001245768195 1104229496 /nfs/dbraw/zinc/22/94/96/1104229496.db2.gz CWGRQAQWJRLSNK-UHFFFAOYSA-N 0 0 315.760 3.384 20 10 DGCDRN CN(C)c1cc(F)c(CNc2cnn(CC3CC3)c2)cc1F ZINC001329965110 1104437718 /nfs/dbraw/zinc/43/77/18/1104437718.db2.gz FSJHNRKWSAVBKU-UHFFFAOYSA-N 0 0 306.360 3.249 20 10 DGCDRN CCCCN1C[C@]2(CC1=O)CCCCN2c1ccc(OC)cc1 ZINC001274791078 1104490202 /nfs/dbraw/zinc/49/02/02/1104490202.db2.gz PQKVNHYZFZTFMN-LJQANCHMSA-N 0 0 316.445 3.457 20 10 DGCDRN CC[C@H](C)N1CC[C@]2(CCCN2c2ccc(OC)cc2)C1=O ZINC001274792011 1104497681 /nfs/dbraw/zinc/49/76/81/1104497681.db2.gz XXJUPSFMIJOFCT-KBXCAEBGSA-N 0 0 302.418 3.065 20 10 DGCDRN CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2c1ccc(OC)cc1C ZINC001274874829 1104527846 /nfs/dbraw/zinc/52/78/46/1104527846.db2.gz NEZSIOCQUUBHNJ-ZTFGCOKTSA-N 0 0 316.445 3.372 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccccc1O ZINC001299479721 1104699413 /nfs/dbraw/zinc/69/94/13/1104699413.db2.gz ZGHFAPZHGRXNEJ-AWEZNQCLSA-N 0 0 312.413 3.128 20 10 DGCDRN Cc1ccc(F)c(CNC(=S)Nc2c(F)cccc2F)n1 ZINC001247097685 1104800061 /nfs/dbraw/zinc/80/00/61/1104800061.db2.gz DFIUKDDHXHRNLN-UHFFFAOYSA-N 0 0 311.332 3.294 20 10 DGCDRN CCc1ccc(NC(=S)NCc2cccc3ccnn32)cc1 ZINC001247354186 1104876264 /nfs/dbraw/zinc/87/62/64/1104876264.db2.gz KSRLGPMLCGQIFX-UHFFFAOYSA-N 0 0 310.426 3.383 20 10 DGCDRN Cc1ccc(-c2noc(Cc3ccc(O)c(O)c3)n2)cc1F ZINC001247959241 1105021675 /nfs/dbraw/zinc/02/16/75/1105021675.db2.gz NTSFLVXUCWQEOH-UHFFFAOYSA-N 0 0 300.289 3.186 20 10 DGCDRN Cc1cc(F)cc(-c2noc(Cc3ccc(O)c(O)c3)n2)c1F ZINC001247959439 1105021686 /nfs/dbraw/zinc/02/16/86/1105021686.db2.gz QDBWHWBAFNVTFT-UHFFFAOYSA-N 0 0 318.279 3.325 20 10 DGCDRN COc1ccc(-c2noc(/C=C/c3ccc(N(C)C)cc3)n2)cn1 ZINC001248038957 1105037316 /nfs/dbraw/zinc/03/73/16/1105037316.db2.gz KRQWXERKRLUPGO-UXBLZVDNSA-N 0 0 322.368 3.377 20 10 DGCDRN Nc1ccc(Cc2nc(-c3cncc4ccccc43)no2)cc1 ZINC001248184478 1105062618 /nfs/dbraw/zinc/06/26/18/1105062618.db2.gz WKUYKSXWUSWAQN-UHFFFAOYSA-N 0 0 302.337 3.458 20 10 DGCDRN Cc1c(F)cc(-c2noc(Cc3ccc(N)cc3)n2)cc1F ZINC001248183102 1105063073 /nfs/dbraw/zinc/06/30/73/1105063073.db2.gz DCTAZSAVJIWCHJ-UHFFFAOYSA-N 0 0 301.296 3.496 20 10 DGCDRN C[C@H](NC(=O)NCc1c(F)cc(F)cc1F)c1ccccc1O ZINC001248551389 1105127111 /nfs/dbraw/zinc/12/71/11/1105127111.db2.gz AGXVIMNFZFHITI-VIFPVBQESA-N 0 0 324.302 3.370 20 10 DGCDRN Cc1cccc(CNC(=S)Nc2cc(F)ccc2F)c1O ZINC001248622853 1105138484 /nfs/dbraw/zinc/13/84/84/1105138484.db2.gz ZUYCWISPRYCHOK-UHFFFAOYSA-N 0 0 308.353 3.465 20 10 DGCDRN CC(C)(C)c1cc(O)c(CN2CCNC(=O)C2(C)C)cc1Cl ZINC001248883405 1105186445 /nfs/dbraw/zinc/18/64/45/1105186445.db2.gz GGHJLWMFMOVWRF-UHFFFAOYSA-N 0 0 324.852 3.054 20 10 DGCDRN Oc1ccc(CCc2nc(-c3cccc(F)c3F)no2)cc1O ZINC001248983632 1105208821 /nfs/dbraw/zinc/20/88/21/1105208821.db2.gz GQGPQHAODZWICH-UHFFFAOYSA-N 0 0 318.279 3.211 20 10 DGCDRN CC[N@H+](Cc1ccccc1O)Cc1cc(C)c(OC)nc1OC ZINC001250343328 1105503681 /nfs/dbraw/zinc/50/36/81/1105503681.db2.gz UNUMQUFEYOXMDF-UHFFFAOYSA-N 0 0 316.401 3.135 20 10 DGCDRN CN(C)c1ccc(CC2=CCN(C(=O)C(F)(F)F)CC2)cc1 ZINC001250435104 1105514816 /nfs/dbraw/zinc/51/48/16/1105514816.db2.gz VOJQQTYPFMPWHN-UHFFFAOYSA-N 0 0 312.335 3.016 20 10 DGCDRN [O-]c1c(Cl)cccc1CN1CC2(CC[N@@H+]2C2CCCC2)C1 ZINC001276379943 1105535169 /nfs/dbraw/zinc/53/51/69/1105535169.db2.gz CFILEMSHEUOTJW-UHFFFAOYSA-N 0 0 306.837 3.248 20 10 DGCDRN OC1CCN(c2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)CC1 ZINC001250858045 1105595273 /nfs/dbraw/zinc/59/52/73/1105595273.db2.gz ONHIDCUUFLJUHP-UHFFFAOYSA-N 0 0 311.360 3.330 20 10 DGCDRN Oc1cc(-c2nc3c(cc(F)c(Cl)c3F)[nH]2)cc(O)c1O ZINC001251248149 1105643759 /nfs/dbraw/zinc/64/37/59/1105643759.db2.gz AZHAVUDYIVTMBS-UHFFFAOYSA-N 0 0 312.659 3.278 20 10 DGCDRN CCn1c2ccc(Cl)cc2nc1-c1cc(O)c(O)cc1O ZINC001251355405 1105652832 /nfs/dbraw/zinc/65/28/32/1105652832.db2.gz JPZBMLFQWMLGBQ-UHFFFAOYSA-N 0 0 304.733 3.493 20 10 DGCDRN Cc1cc(C)c(S(=O)(=O)NCc2cccc(C)c2O)c(C)c1 ZINC001251516554 1105665703 /nfs/dbraw/zinc/66/57/03/1105665703.db2.gz DLTWMSWKLOEFIH-UHFFFAOYSA-N 0 0 319.426 3.104 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2c(C)cccc2F)c1 ZINC001252981212 1105864396 /nfs/dbraw/zinc/86/43/96/1105864396.db2.gz ILPHXOGDHFKAPU-NSHDSACASA-N 0 0 303.333 3.339 20 10 DGCDRN CCN(Cc1ccccc1O)S(=O)(=O)/C=C/c1ccccc1 ZINC001253014786 1105876998 /nfs/dbraw/zinc/87/69/98/1105876998.db2.gz CPPOTOKPJRDNPX-OUKQBFOZSA-N 0 0 317.410 3.215 20 10 DGCDRN Cc1c(C)c(NS(=O)(=O)/C=C/c2ccccc2)ccc1O ZINC001253038786 1105881385 /nfs/dbraw/zinc/88/13/85/1105881385.db2.gz VEYMSBBHYVUPGI-ZHACJKMWSA-N 0 0 303.383 3.422 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)NOCC(C)C)cc1 ZINC001253457606 1105941650 /nfs/dbraw/zinc/94/16/50/1105941650.db2.gz SRYZBNSGAPNKCZ-UHFFFAOYSA-N 0 0 307.438 3.262 20 10 DGCDRN CC(C)(C)[C@@H](O)CNc1cccc2c1C(=O)c1ccccc1C2=O ZINC001253714722 1105972825 /nfs/dbraw/zinc/97/28/25/1105972825.db2.gz LOHLIDAQYKBXGZ-INIZCTEOSA-N 0 0 323.392 3.281 20 10 DGCDRN Oc1cc(-c2nnc(Cc3ccccc3Cl)o2)cc(O)c1O ZINC001254336101 1106056596 /nfs/dbraw/zinc/05/65/96/1106056596.db2.gz TYXMYUZDXVWNIZ-UHFFFAOYSA-N 0 0 318.716 3.098 20 10 DGCDRN Oc1ccc(-c2nnc(Cc3ccccc3Cl)o2)c(O)c1O ZINC001254336120 1106056605 /nfs/dbraw/zinc/05/66/05/1106056605.db2.gz UTPHDMTUGJPYLY-UHFFFAOYSA-N 0 0 318.716 3.098 20 10 DGCDRN CCc1ccc(S(=O)(=O)Nc2c(F)cc(O)cc2F)cc1 ZINC001255084922 1106175315 /nfs/dbraw/zinc/17/53/15/1106175315.db2.gz IOENLCKPRFMBRY-UHFFFAOYSA-N 0 0 313.325 3.034 20 10 DGCDRN CCCCCc1nnc(-c2ccc(S(=O)(=O)[N-][N+]#N)cc2)o1 ZINC001256152463 1106379494 /nfs/dbraw/zinc/37/94/94/1106379494.db2.gz YRGSNVFSDDQQOX-UHFFFAOYSA-N 0 0 321.362 3.468 20 10 DGCDRN Cc1cc(O)cc(C)c1NS(=O)(=O)c1ccccc1Cl ZINC001256316684 1106405018 /nfs/dbraw/zinc/40/50/18/1106405018.db2.gz NXGIMPJTBQYCOI-UHFFFAOYSA-N 0 0 311.790 3.463 20 10 DGCDRN Cc1noc(CCc2nnc(-c3ccc(-n4cccc4)cc3)o2)n1 ZINC001256951229 1106514556 /nfs/dbraw/zinc/51/45/56/1106514556.db2.gz COBRKZYCEVFJFW-UHFFFAOYSA-N 0 0 321.340 3.004 20 10 DGCDRN Oc1ccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)nc1 ZINC001256941187 1106514621 /nfs/dbraw/zinc/51/46/21/1106514621.db2.gz SVDZZMSGQVZWIH-UHFFFAOYSA-N 0 0 304.309 3.295 20 10 DGCDRN Cc1ncc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)cn1 ZINC001256940367 1106514704 /nfs/dbraw/zinc/51/47/04/1106514704.db2.gz DSHOPEYHIVZIAA-UHFFFAOYSA-N 0 0 303.325 3.293 20 10 DGCDRN FCCn1cnc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)c1 ZINC001256981386 1106520470 /nfs/dbraw/zinc/52/04/70/1106520470.db2.gz LHDFJERFJJCDLM-UHFFFAOYSA-N 0 0 323.331 3.360 20 10 DGCDRN COc1cc(-c2nnc(CC3CCCCC3)o2)cc(O)c1O ZINC001257076444 1106534060 /nfs/dbraw/zinc/53/40/60/1106534060.db2.gz OTKOYBHTAOBNBW-UHFFFAOYSA-N 0 0 304.346 3.279 20 10 DGCDRN Cc1ccc([C@@H]2C[C@H]2c2nnc(-c3ccc(O)c(O)c3O)o2)cc1 ZINC001257209712 1106551949 /nfs/dbraw/zinc/55/19/49/1106551949.db2.gz NZWAIUSAKOQFNT-QWHCGFSZSA-N 0 0 324.336 3.433 20 10 DGCDRN Oc1ccc(Cc2nnc(CCCc3ccccc3)o2)cc1O ZINC001257767951 1106627730 /nfs/dbraw/zinc/62/77/30/1106627730.db2.gz IPKKABDSYFTPBJ-UHFFFAOYSA-N 0 0 310.353 3.247 20 10 DGCDRN CCCc1n[nH]cc1C(=O)NCc1ccc(N(CC)CC)cc1 ZINC001320500875 1107029396 /nfs/dbraw/zinc/02/93/96/1107029396.db2.gz RLZJMAMHHRMBBO-UHFFFAOYSA-N 0 0 314.433 3.138 20 10 DGCDRN Cc1ccc(NS(=O)(=O)C2CC2)c(C(=O)c2ccccc2)c1 ZINC001259276541 1107114820 /nfs/dbraw/zinc/11/48/20/1107114820.db2.gz RBARQJQAFMXKOF-UHFFFAOYSA-N 0 0 315.394 3.130 20 10 DGCDRN COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC001320717505 1107115302 /nfs/dbraw/zinc/11/53/02/1107115302.db2.gz SHNXHOZTSCXZMY-ZYHUDNBSSA-N 0 0 318.200 3.130 20 10 DGCDRN Cc1cc(C)cc(S(=O)(=O)Nc2c(F)cc(O)cc2F)c1 ZINC001259524534 1107159424 /nfs/dbraw/zinc/15/94/24/1107159424.db2.gz WPONQMQQONHUIQ-UHFFFAOYSA-N 0 0 313.325 3.088 20 10 DGCDRN CC(=O)Nc1ccc(N[C@@H](C)c2cc(F)cc(F)c2O)nc1 ZINC001321037573 1107231036 /nfs/dbraw/zinc/23/10/36/1107231036.db2.gz NXWZVMYVCASLCP-QMMMGPOBSA-N 0 0 307.300 3.197 20 10 DGCDRN O=S(=O)(Cc1ccccc1Cl)Nc1ccc(O)c(F)c1 ZINC001260694233 1107298016 /nfs/dbraw/zinc/29/80/16/1107298016.db2.gz DXTSYKCQHJWPBE-UHFFFAOYSA-N 0 0 315.753 3.127 20 10 DGCDRN CC[C@H](C)S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC001260740009 1107310025 /nfs/dbraw/zinc/31/00/25/1107310025.db2.gz NYTYABCMAIFVCR-ZDUSSCGKSA-N 0 0 317.410 3.458 20 10 DGCDRN Cc1noc(C)c1CCC(=O)Nc1c2nonc2ccc1Cl ZINC001261140204 1107352532 /nfs/dbraw/zinc/35/25/32/1107352532.db2.gz LEBSFDDWTQLZAV-UHFFFAOYSA-N 0 0 320.736 3.052 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N[C@H]3CCC[C@@H](F)C3)ccc21 ZINC001261452199 1107438305 /nfs/dbraw/zinc/43/83/05/1107438305.db2.gz WLYYYPOSFRGUOE-CVEARBPZSA-N 0 0 319.424 3.149 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2cccc3c2OCC3)cc1 ZINC001261816155 1107536416 /nfs/dbraw/zinc/53/64/16/1107536416.db2.gz ARTKPXPSHLFIDZ-UHFFFAOYSA-N 0 0 311.385 3.009 20 10 DGCDRN CCCOc1ccc(C[NH2+]C[C@@H](CC(=O)[O-])C(F)F)cc1C ZINC001261890110 1107557571 /nfs/dbraw/zinc/55/75/71/1107557571.db2.gz USIDHHSZFBHFJG-CYBMUJFWSA-N 0 0 315.360 3.229 20 10 DGCDRN CS[C@H]1CCC[C@@H](NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC001261962150 1107564077 /nfs/dbraw/zinc/56/40/77/1107564077.db2.gz MTRMBTXLAUSBAL-OLZOCXBDSA-N 0 0 306.431 3.092 20 10 DGCDRN CSCc1nnc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)[n-]1 ZINC001262077542 1107604747 /nfs/dbraw/zinc/60/47/47/1107604747.db2.gz GZFWGAJYIWFXNX-WDEREUQCSA-N 0 0 318.446 3.020 20 10 DGCDRN Nc1ccc(CNC(=O)NC[C@H](c2ccccc2)C2CC2)cc1 ZINC001262582985 1107730214 /nfs/dbraw/zinc/73/02/14/1107730214.db2.gz LAKHWYCLPGQWLR-GOSISDBHSA-N 0 0 309.413 3.262 20 10 DGCDRN CC(C)(CNC(=O)NCc1ccc(N)cc1)CC(F)(F)F ZINC001262597957 1107734740 /nfs/dbraw/zinc/73/47/40/1107734740.db2.gz DQNBYPMCXNIHLY-UHFFFAOYSA-N 0 0 303.328 3.047 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)[C@H]3CC=CCC3)CC2)cc1 ZINC001322869253 1107772220 /nfs/dbraw/zinc/77/22/20/1107772220.db2.gz NHAFAVZMDDRSJM-INIZCTEOSA-N 0 0 314.429 3.090 20 10 DGCDRN O=C(NCCCCOc1ccccc1)NCc1ccccc1O ZINC001318192114 1107889131 /nfs/dbraw/zinc/88/91/31/1107889131.db2.gz CBABNGCFPKUDTM-UHFFFAOYSA-N 0 0 314.385 3.051 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C[C@H]2CCNc3ccccc32)cc1 ZINC001263093199 1107942924 /nfs/dbraw/zinc/94/29/24/1107942924.db2.gz SECUBKHNBWDONM-MRXNPFEDSA-N 0 0 323.440 3.358 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CC2(C(F)(F)F)CC2)cc1F ZINC001323427361 1107973393 /nfs/dbraw/zinc/97/33/93/1107973393.db2.gz LLUGEGNWSSBKRV-UHFFFAOYSA-N 0 0 318.314 3.241 20 10 DGCDRN CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cc(O)ccc1O ZINC001323443472 1107976154 /nfs/dbraw/zinc/97/61/54/1107976154.db2.gz NZUWZOKPDWFZDU-HNNXBMFYSA-N 0 0 318.760 3.338 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)[C@H](C)[C@@H](C)CC)CC2)cc1 ZINC001323606068 1108026650 /nfs/dbraw/zinc/02/66/50/1108026650.db2.gz VZVCXHMTRSFBHK-JKSUJKDBSA-N 0 0 318.461 3.416 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1c[nH]c(C(C)C)n1 ZINC001318643759 1108137356 /nfs/dbraw/zinc/13/73/56/1108137356.db2.gz DFYJZBQIYSIAMW-UHFFFAOYSA-N 0 0 301.390 3.291 20 10 DGCDRN Cc1ccsc1CCCC(=O)NCc1cccc(O)c1O ZINC001263894361 1108287626 /nfs/dbraw/zinc/28/76/26/1108287626.db2.gz CTZBEIMKBKXXBS-UHFFFAOYSA-N 0 0 305.399 3.107 20 10 DGCDRN CS[C@H]1CC[C@H](N(C)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC001319082097 1108308415 /nfs/dbraw/zinc/30/84/15/1108308415.db2.gz NKLXTTXZPMTQKP-HOTGVXAUSA-N 0 0 321.490 3.178 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H]2CCOC2)c1 ZINC001263983675 1108324302 /nfs/dbraw/zinc/32/43/02/1108324302.db2.gz XVNLACQRZONIHW-ZDUSSCGKSA-N 0 0 318.804 3.266 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1C[C@@H]1Cc1ccccc1 ZINC001264009199 1108337406 /nfs/dbraw/zinc/33/74/06/1108337406.db2.gz LPLREGPENZHPDH-LVKZSUFYSA-N 0 0 323.392 3.106 20 10 DGCDRN C[C@@H](C(=O)N(C)Cc1ccccc1O)c1ccc(F)c(F)c1 ZINC001319158330 1108342073 /nfs/dbraw/zinc/34/20/73/1108342073.db2.gz WCACQAOBRPWTRK-LLVKDONJSA-N 0 0 305.324 3.433 20 10 DGCDRN C[C@@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@H]1CCCO1 ZINC001264286941 1108455787 /nfs/dbraw/zinc/45/57/87/1108455787.db2.gz DPJFFIMPOMDHQI-CRAIPNDOSA-N 0 0 316.445 3.060 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ncc(Cl)s2)c1 ZINC001324954357 1108532603 /nfs/dbraw/zinc/53/26/03/1108532603.db2.gz NPJYUVYHFQQMGR-SSDOTTSWSA-N 0 0 312.778 3.002 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)[C@H](F)Cc1ccccc1 ZINC001325346072 1108627978 /nfs/dbraw/zinc/62/79/78/1108627978.db2.gz RLXQQLMPKOIWBL-LLVKDONJSA-N 0 0 319.723 3.396 20 10 DGCDRN C[C@H](CO)[N@H+](Cc1ccccc1)Cc1cccc(Cl)c1[O-] ZINC001319814935 1108647710 /nfs/dbraw/zinc/64/77/10/1108647710.db2.gz ZMWCNNOUZDZLOC-CYBMUJFWSA-N 0 0 305.805 3.429 20 10 DGCDRN CCOC[C@H](O)CNc1ccccc1OCc1ccccc1 ZINC000390790275 1108677827 /nfs/dbraw/zinc/67/78/27/1108677827.db2.gz VZCITAKIWNVBIE-MRXNPFEDSA-N 0 0 301.386 3.075 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@H](C)Oc2ccccc2Cl)c1 ZINC001301046550 1111079869 /nfs/dbraw/zinc/07/98/69/1111079869.db2.gz FRCGYWJGWSWKFU-LBPRGKRZSA-N 0 0 319.788 3.438 20 10 DGCDRN Cc1cc(NC(=O)c2cccc(O)c2O)cnc1C(F)(F)F ZINC001301521694 1111094254 /nfs/dbraw/zinc/09/42/54/1111094254.db2.gz NMEBNVUHFYZGIQ-UHFFFAOYSA-N 0 0 312.247 3.072 20 10 DGCDRN C[C@@H](NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccccc1O ZINC001302530155 1111117143 /nfs/dbraw/zinc/11/71/43/1111117143.db2.gz BYRWWGPHWQMYOC-GFCCVEGCSA-N 0 0 307.353 3.273 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(-n2cccn2)cc1)c1ccccc1O ZINC001302530498 1111117148 /nfs/dbraw/zinc/11/71/48/1111117148.db2.gz SAMCKBNYPCITEN-CYBMUJFWSA-N 0 0 307.353 3.069 20 10 DGCDRN C[C@@H](NC(=O)C[C@@H](O)c1ccc(Cl)cc1)c1ccccc1O ZINC001302530349 1111117295 /nfs/dbraw/zinc/11/72/95/1111117295.db2.gz MGTAEOHEAAUMPS-BDJLRTHQSA-N 0 0 319.788 3.347 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(-n2cccc2)nc1)c1ccccc1O ZINC001302530304 1111117367 /nfs/dbraw/zinc/11/73/67/1111117367.db2.gz KINNFGVMWTUDDJ-CYBMUJFWSA-N 0 0 307.353 3.069 20 10 DGCDRN CC[C@H](C[C@H](C)O)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001302687760 1111121956 /nfs/dbraw/zinc/12/19/56/1111121956.db2.gz ISYPAZSIQGPRKC-DOTOQJQBSA-N 0 0 314.429 3.373 20 10 DGCDRN O=C(/C=C/c1ccc2ccccc2n1)N1Cc2cccc(O)c2C1 ZINC001302788468 1111125294 /nfs/dbraw/zinc/12/52/94/1111125294.db2.gz WWNFKXYIUZROQG-ZHACJKMWSA-N 0 0 316.360 3.496 20 10 DGCDRN O=C(COc1cccc2ccccc21)N1Cc2cccc(O)c2C1 ZINC001302787563 1111125631 /nfs/dbraw/zinc/12/56/31/1111125631.db2.gz PBSCFAGOZDQAKT-UHFFFAOYSA-N 0 0 319.360 3.467 20 10 DGCDRN Cc1cc(C(=O)NCc2cc(O)ccc2O)c2nccc(C)c2c1 ZINC001303225422 1111137234 /nfs/dbraw/zinc/13/72/34/1111137234.db2.gz HTPHBHFIUNFPER-UHFFFAOYSA-N 0 0 322.364 3.193 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ncsc1C1CC1 ZINC001303223470 1111137566 /nfs/dbraw/zinc/13/75/66/1111137566.db2.gz QWMYJELENATQGN-KXFIGUGUSA-N 0 0 302.355 3.084 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2ccc3c(n2)CCCC3)cc1 ZINC001303332807 1111140295 /nfs/dbraw/zinc/14/02/95/1111140295.db2.gz OBUZHLRWMCRONL-UHFFFAOYSA-N 0 0 323.356 3.375 20 10 DGCDRN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001303661249 1111150835 /nfs/dbraw/zinc/15/08/35/1111150835.db2.gz WBLWOKNWTVZHLA-YJQGPUDQSA-N 0 0 317.410 3.334 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cccn1Cc1ccccc1 ZINC001303878701 1111156608 /nfs/dbraw/zinc/15/66/08/1111156608.db2.gz RDAXWARTDRMDTK-UHFFFAOYSA-N 0 0 324.355 3.311 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)[C@H]1COc2ccccc21 ZINC001304089676 1111165996 /nfs/dbraw/zinc/16/59/96/1111165996.db2.gz GHHHDNTXVWPTLU-KRWDZBQOSA-N 0 0 319.360 3.338 20 10 DGCDRN C[C@H]1C[C@@H]1n1c(C2CCC2)nnc1N(C)Cc1ccccc1O ZINC001304960758 1111189922 /nfs/dbraw/zinc/18/99/22/1111189922.db2.gz LTQPCQGZACHDLD-WFASDCNBSA-N 0 0 312.417 3.469 20 10 DGCDRN CCc1ccc(C)nc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001306873423 1111246390 /nfs/dbraw/zinc/24/63/90/1111246390.db2.gz AZGRVTFCPXHBJC-UHFFFAOYSA-N 0 0 311.345 3.367 20 10 DGCDRN COC(=O)c1cnc(S[C@@H](C)C(=O)c2ccccc2)s1 ZINC001307348310 1111291200 /nfs/dbraw/zinc/29/12/00/1111291200.db2.gz NRNSOKBECXJCOY-VIFPVBQESA-N 0 0 307.396 3.293 20 10 DGCDRN CCN(CCCOC(F)(F)F)c1ccc(OC)c(OC)c1 ZINC001307574002 1111315246 /nfs/dbraw/zinc/31/52/46/1111315246.db2.gz MROXXIQPEHKCGD-UHFFFAOYSA-N 0 0 307.312 3.457 20 10 DGCDRN CSCC(C)(C)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC001308134687 1111382659 /nfs/dbraw/zinc/38/26/59/1111382659.db2.gz RAALVCKIJFHCKO-UHFFFAOYSA-N 0 0 301.839 3.479 20 10 DGCDRN CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(F)c(F)c2[O-])C12CCC2 ZINC001308607085 1111450004 /nfs/dbraw/zinc/45/00/04/1111450004.db2.gz KNEDZUNNAWCGNT-UONOGXRCSA-N 0 0 311.372 3.450 20 10 DGCDRN CN(Cc1nc2ccccc2n1C)Cc1cc(F)c(F)cc1O ZINC001308633651 1111453809 /nfs/dbraw/zinc/45/38/09/1111453809.db2.gz LRDLSCFWHDEOEJ-UHFFFAOYSA-N 0 0 317.339 3.189 20 10 DGCDRN COc1ccc(F)c(CN2CCOc3cc(N(C)C)ccc32)c1 ZINC001308669397 1111458385 /nfs/dbraw/zinc/45/83/85/1111458385.db2.gz TZNXCVHMOBVJEJ-UHFFFAOYSA-N 0 0 316.376 3.299 20 10 DGCDRN CN(Cc1nn(C)cc1Cl)Cc1ccc(N2CCCC2)cc1 ZINC001308747710 1111470215 /nfs/dbraw/zinc/47/02/15/1111470215.db2.gz RXNZWWHKHOUOMG-UHFFFAOYSA-N 0 0 318.852 3.306 20 10 DGCDRN OC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)CC[C@H]1C(F)(F)F ZINC001308755144 1111470755 /nfs/dbraw/zinc/47/07/55/1111470755.db2.gz FFFVCTGWRJNUNZ-CMPLNLGQSA-N 0 0 323.742 3.038 20 10 DGCDRN [O-]c1c(C[NH2+]C2CC(Nc3ccccc3)C2)ccc(F)c1F ZINC001308934484 1111496310 /nfs/dbraw/zinc/49/63/10/1111496310.db2.gz XTIQJBMEFQJGDJ-UHFFFAOYSA-N 0 0 304.340 3.403 20 10 DGCDRN Cc1noc(Cc2ccc(NCc3cccc(F)c3O)cc2)n1 ZINC001308963230 1111500565 /nfs/dbraw/zinc/50/05/65/1111500565.db2.gz PJGHBOMLJCYNRN-UHFFFAOYSA-N 0 0 313.332 3.426 20 10 DGCDRN CN(C)c1ccc(F)cc1NC(=O)N(C)Cc1ccccc1O ZINC001311183051 1111588413 /nfs/dbraw/zinc/58/84/13/1111588413.db2.gz JEBCEZCIYKPTOE-UHFFFAOYSA-N 0 0 317.364 3.261 20 10 DGCDRN CCC(C)(C)CNC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001312487805 1111656888 /nfs/dbraw/zinc/65/68/88/1111656888.db2.gz HOQKXGRUZCOMKK-UHFFFAOYSA-N 0 0 321.465 3.209 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)N[C@H]1C[C@@H]1c1ccccc1 ZINC001312615302 1111662631 /nfs/dbraw/zinc/66/26/31/1111662631.db2.gz HRELDZYNYVIQPH-HIFRSBDPSA-N 0 0 316.788 3.401 20 10 DGCDRN CC[C@H](C)CONC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001312765452 1111671333 /nfs/dbraw/zinc/67/13/33/1111671333.db2.gz NFDDCBJOBGQYJR-HNNXBMFYSA-N 0 0 319.449 3.406 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@]2(C)CC2(C)C)c1 ZINC001313225217 1111702409 /nfs/dbraw/zinc/70/24/09/1111702409.db2.gz PCWNHKNVQVYOEZ-PIGZYNQJSA-N 0 0 306.406 3.197 20 10 DGCDRN CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185512104 295663144 /nfs/dbraw/zinc/66/31/44/295663144.db2.gz JVHXTRLAOKJKGO-VAOFZXAKSA-N 0 0 324.273 3.462 20 10 DGCDRN CC(C)COc1ncccc1C(=O)N(C)Cc1ccccc1O ZINC000103190104 432004790 /nfs/dbraw/zinc/00/47/90/432004790.db2.gz QSFDIYTXOPKUSU-UHFFFAOYSA-N 0 0 314.385 3.094 20 10 DGCDRN CCOc1cccc(CN2CCCC[C@H]2c2ncc[nH]2)c1O ZINC000092729056 185336703 /nfs/dbraw/zinc/33/67/03/185336703.db2.gz MCBWGNWFDCXFMX-AWEZNQCLSA-N 0 0 301.390 3.241 20 10 DGCDRN O=C(C1CCCCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000072622166 191204518 /nfs/dbraw/zinc/20/45/18/191204518.db2.gz VSHPNYLAPYCDQN-KRWDZBQOSA-N 0 0 317.429 3.480 20 10 DGCDRN C[C@H]1CSc2ccccc2N(C(=O)/C=C/c2cnccn2)C1 ZINC000492215243 291033187 /nfs/dbraw/zinc/03/31/87/291033187.db2.gz SFOVKNCKHKMQAU-KTRBRXNASA-N 0 0 311.410 3.265 20 10 DGCDRN CCOC1CC(O)(C[NH2+][C@H](CC)c2cccc(Cl)c2[O-])C1 ZINC000286870081 535392898 /nfs/dbraw/zinc/39/28/98/535392898.db2.gz BRVNYYGIOWEZEJ-OFWKBQFLSA-N 0 0 313.825 3.016 20 10 DGCDRN CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000179931869 432074763 /nfs/dbraw/zinc/07/47/63/432074763.db2.gz JQCAVNFELYHIHZ-ZDUSSCGKSA-N 0 0 324.852 3.174 20 10 DGCDRN COc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1OC ZINC000170788877 432081512 /nfs/dbraw/zinc/08/15/12/432081512.db2.gz MZYZPGLCUDVERN-NSHDSACASA-N 0 0 305.349 3.399 20 10 DGCDRN COc1ccc(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1OC ZINC000170788737 432081844 /nfs/dbraw/zinc/08/18/44/432081844.db2.gz ZHGROXIAZHGACU-GFCCVEGCSA-N 0 0 319.376 3.442 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC1CC(C)(F)C1 ZINC000454877573 242053919 /nfs/dbraw/zinc/05/39/19/242053919.db2.gz RDRZQJWAIFNNNS-UHFFFAOYSA-N 0 0 303.381 3.177 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ncccc2C(F)(F)F)cc1 ZINC000092216587 193174203 /nfs/dbraw/zinc/17/42/03/193174203.db2.gz LUCFJKWGDULCIP-UHFFFAOYSA-N 0 0 323.318 3.096 20 10 DGCDRN C[C@@H]([NH2+]CC(C)(C)c1ccccn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000296225405 296117184 /nfs/dbraw/zinc/11/71/84/296117184.db2.gz ABMJDIFZJIRVMB-GFCCVEGCSA-N 0 0 315.373 3.324 20 10 DGCDRN Cc1ccc(O)c(CN2CCO[C@H](c3cccc(F)c3)C2)c1 ZINC000092975801 193191549 /nfs/dbraw/zinc/19/15/49/193191549.db2.gz BCDMEBMZLIKTSF-SFHVURJKSA-N 0 0 301.361 3.413 20 10 DGCDRN CCc1ccc([C@@H]2COCCN2Cc2cccc(OC)c2O)o1 ZINC000093459407 193255565 /nfs/dbraw/zinc/25/55/65/193255565.db2.gz LRCKHKNXJVYVMD-HNNXBMFYSA-N 0 0 317.385 3.130 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)COCC(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC000277003697 296147980 /nfs/dbraw/zinc/14/79/80/296147980.db2.gz ZRLQQMIEFBPYIM-JGVFFNPUSA-N 0 0 313.266 3.288 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccc(F)c(F)c1[O-] ZINC000276997207 296163754 /nfs/dbraw/zinc/16/37/54/296163754.db2.gz YRAWUODMFQJFGU-RNCFNFMXSA-N 0 0 307.344 3.132 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273350581 296164738 /nfs/dbraw/zinc/16/47/38/296164738.db2.gz BOHQBWAOQDEKAF-OLZOCXBDSA-N 0 0 320.389 3.443 20 10 DGCDRN Nc1ccc(CC(=O)Nc2ccc(Br)cc2F)cc1 ZINC000019280576 182111966 /nfs/dbraw/zinc/11/19/66/182111966.db2.gz FWKIEOICRPJHKV-UHFFFAOYSA-N 0 0 323.165 3.352 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)/C=C\C1CCOCC1 ZINC000492705343 245777973 /nfs/dbraw/zinc/77/79/73/245777973.db2.gz LPDHHGSDOMOTRW-FPLPWBNLSA-N 0 0 312.413 3.086 20 10 DGCDRN COc1ccc(SCCC(=O)Nc2ccc(N)cc2)cc1 ZINC000019231075 182109522 /nfs/dbraw/zinc/10/95/22/182109522.db2.gz DTWSDXXYQKEFJN-UHFFFAOYSA-N 0 0 302.399 3.398 20 10 DGCDRN Cc1ccc(N(C)C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])nc1 ZINC000493663507 246036471 /nfs/dbraw/zinc/03/64/71/246036471.db2.gz QGARKHCYXSYDDK-YVMONPNESA-N 0 0 315.304 3.114 20 10 DGCDRN Cn1ccc(C=CC(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)c1 ZINC000493780565 246065874 /nfs/dbraw/zinc/06/58/74/246065874.db2.gz CIXAXHLFCPKSFI-PODYEWJSSA-N 0 0 306.365 3.145 20 10 DGCDRN C[C@@H](N[C@@H](C)c1nncn1C)c1ccc(N2CCCCC2)cc1 ZINC000268824461 432142821 /nfs/dbraw/zinc/14/28/21/432142821.db2.gz AWCBTEOUTUQMLL-CABCVRRESA-N 0 0 313.449 3.217 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cccnc2C(F)(F)F)cc1 ZINC000136146075 432148416 /nfs/dbraw/zinc/14/84/16/432148416.db2.gz NICGPOFATNVLBX-UHFFFAOYSA-N 0 0 323.318 3.096 20 10 DGCDRN COc1cccc(CNC(=O)C[C@H](C)c2ccc(F)cc2)c1O ZINC000105650152 194118119 /nfs/dbraw/zinc/11/81/19/194118119.db2.gz VYMPMLBRZOLHBM-LBPRGKRZSA-N 0 0 317.360 3.350 20 10 DGCDRN CC(=O)Nc1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000047192354 183583486 /nfs/dbraw/zinc/58/34/86/183583486.db2.gz JNFIIISIMGFNNW-UHFFFAOYSA-N 0 0 323.396 3.498 20 10 DGCDRN CCC(CC)N(CCOC)C(=O)NCc1ccc(N(C)C)cc1 ZINC000065028643 184308876 /nfs/dbraw/zinc/30/88/76/184308876.db2.gz SGARQKTUWNXRPY-UHFFFAOYSA-N 0 0 321.465 3.099 20 10 DGCDRN COc1ccccc1[C@H]1CCCN1C(=O)Cc1ccc(N)cc1 ZINC000237291783 533022879 /nfs/dbraw/zinc/02/28/79/533022879.db2.gz BAVQZNUCEKTMDC-QGZVFWFLSA-N 0 0 310.397 3.184 20 10 DGCDRN C[C@@H](Nc1ncncc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000302616239 533568961 /nfs/dbraw/zinc/56/89/61/533568961.db2.gz FZTBUYSBMHVHIQ-GFCCVEGCSA-N 0 0 318.808 3.140 20 10 DGCDRN CCOc1cccc(C[NH2+][C@]2(C)CCCC[C@@H]2C(=O)OC)c1O ZINC000272370596 130023888 /nfs/dbraw/zinc/02/38/88/130023888.db2.gz BNWFXNZRIGWSIQ-RDTXWAMCSA-N 0 0 321.417 3.002 20 10 DGCDRN COc1ccc(O)c(C[NH2+][C@H](C)[C@@H](OC)c2ccccc2F)c1 ZINC000272378534 130024349 /nfs/dbraw/zinc/02/43/49/130024349.db2.gz DGEGLXYOKCUWKB-KZULUSFZSA-N 0 0 319.376 3.406 20 10 DGCDRN Cc1ccc(C(=O)N2CC[C@H](c3ccccc3F)C2)c(O)c1O ZINC000272718759 130057253 /nfs/dbraw/zinc/05/72/53/130057253.db2.gz DYHZHOLNOBHKHE-LBPRGKRZSA-N 0 0 315.344 3.175 20 10 DGCDRN CC(C)[C@H]1C[C@H](CC(=O)NCc2ccc(N(C)C)cc2)CCO1 ZINC000273030695 130083835 /nfs/dbraw/zinc/08/38/35/130083835.db2.gz YAVDGLALBGTPFQ-SJLPKXTDSA-N 0 0 318.461 3.210 20 10 DGCDRN C[C@H]([NH2+]CCOc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273418022 130118807 /nfs/dbraw/zinc/11/88/07/130118807.db2.gz RHYNBPSKUUMEAM-LBPRGKRZSA-N 0 0 302.330 3.030 20 10 DGCDRN COc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1[N+](=O)[O-] ZINC000273621335 130144954 /nfs/dbraw/zinc/14/49/54/130144954.db2.gz ZBZZFGVZSKJVCA-SNVBAGLBSA-N 0 0 320.320 3.299 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2nc(C[S@](C)=O)no2)cc1 ZINC000273832952 130173993 /nfs/dbraw/zinc/17/39/93/130173993.db2.gz HJCLBOYVQCHGRA-QFIPXVFZSA-N 0 0 315.398 3.023 20 10 DGCDRN C/C(=C\C(C)(C)C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000274610599 130249476 /nfs/dbraw/zinc/24/94/76/130249476.db2.gz HPTITHLEFMSBMY-FYWRMAATSA-N 0 0 316.445 3.132 20 10 DGCDRN C[C@H](NCc1ncn(-c2ccccc2)n1)c1ccc(N(C)C)cc1 ZINC000274956684 130277436 /nfs/dbraw/zinc/27/74/36/130277436.db2.gz IBCFFKDNQDTVMX-HNNXBMFYSA-N 0 0 321.428 3.184 20 10 DGCDRN O=C(CCSc1nccs1)c1ccc2c(c1)OCCO2 ZINC000278667517 130710886 /nfs/dbraw/zinc/71/08/86/130710886.db2.gz GHDLWTWFQFNRJV-UHFFFAOYSA-N 0 0 307.396 3.279 20 10 DGCDRN O=C(CSc1ncc([N+](=O)[O-])s1)OC1CCCCC1 ZINC000281935426 130892945 /nfs/dbraw/zinc/89/29/45/130892945.db2.gz OZXNXAFXHFNVKB-UHFFFAOYSA-N 0 0 302.377 3.019 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000282429601 130921380 /nfs/dbraw/zinc/92/13/80/130921380.db2.gz HISVPVZASAKHTR-LSDHHAIUSA-N 0 0 305.418 3.336 20 10 DGCDRN C[C@H]1CCCN(c2ccc(CNC(=O)N(C)C)cc2Cl)C1 ZINC000282806620 130941706 /nfs/dbraw/zinc/94/17/06/130941706.db2.gz KNORLNFUHIAQRV-LBPRGKRZSA-N 0 0 309.841 3.348 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCCC[C@H](C)CO ZINC000283632495 131009155 /nfs/dbraw/zinc/00/91/55/131009155.db2.gz NFLBDSHVOFRQCH-HNNXBMFYSA-N 0 0 322.449 3.113 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CCC(=O)c2ccccc21 ZINC000285429354 131167542 /nfs/dbraw/zinc/16/75/42/131167542.db2.gz XOXAEFDMCDBFSF-MRXNPFEDSA-N 0 0 309.365 3.111 20 10 DGCDRN CC[C@H]([NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccc(F)cc1[O-] ZINC000285524857 131177501 /nfs/dbraw/zinc/17/75/01/131177501.db2.gz BHIWLCYARCEWNN-INWMFGNUSA-N 0 0 322.424 3.219 20 10 DGCDRN C[C@@H]1COCC[C@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000285660390 131191130 /nfs/dbraw/zinc/19/11/30/131191130.db2.gz ZAZCSHQZJIAJPC-ZJUUUORDSA-N 0 0 304.217 3.461 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C2=C(C)OCCS2)cc1 ZINC000287067168 131262442 /nfs/dbraw/zinc/26/24/42/131262442.db2.gz HDHLGABLUWLKEI-UHFFFAOYSA-N 0 0 320.458 3.144 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNc1ncn(CC(F)(F)F)n1 ZINC000287631731 131291447 /nfs/dbraw/zinc/29/14/47/131291447.db2.gz ITDCMFWYMQDWRU-UHFFFAOYSA-N 0 0 323.322 3.253 20 10 DGCDRN CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1cccc(O)c1O ZINC000288739981 131337608 /nfs/dbraw/zinc/33/76/08/131337608.db2.gz ZVPUWONLULXUJZ-HNNXBMFYSA-N 0 0 315.369 3.330 20 10 DGCDRN CCOc1cccc(CN2CCCC[C@@H]2c2cc[nH]n2)c1O ZINC000289356177 131378026 /nfs/dbraw/zinc/37/80/26/131378026.db2.gz JUWBVCLCQYYRDD-OAHLLOKOSA-N 0 0 301.390 3.241 20 10 DGCDRN COCCC[N@H+](Cc1ccncc1)Cc1cccc(Cl)c1[O-] ZINC000289380485 131380897 /nfs/dbraw/zinc/38/08/97/131380897.db2.gz CKAKPGXNABVLEF-UHFFFAOYSA-N 0 0 320.820 3.479 20 10 DGCDRN Cc1nnc(N(C)Cc2ccccc2O)n1Cc1cccs1 ZINC000290837072 131521135 /nfs/dbraw/zinc/52/11/35/131521135.db2.gz AGIIVWPPCFZCST-UHFFFAOYSA-N 0 0 314.414 3.038 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCc1cc(C)ccn1 ZINC000297564538 132022793 /nfs/dbraw/zinc/02/27/93/132022793.db2.gz SEMCIRNSAUSWNU-UHFFFAOYSA-N 0 0 313.401 3.217 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)CSC2CCCC2)cc1 ZINC000299485702 132108297 /nfs/dbraw/zinc/10/82/97/132108297.db2.gz ILPYAJPRZKXYJH-UHFFFAOYSA-N 0 0 306.475 3.387 20 10 DGCDRN Cc1noc2nc(C3CC3)cc(C(=O)NCc3ccccc3O)c12 ZINC000299539708 132109977 /nfs/dbraw/zinc/10/99/77/132109977.db2.gz IWEVOUNDGYRDFT-UHFFFAOYSA-N 0 0 323.352 3.044 20 10 DGCDRN Cc1ccc(C(=O)CCC(=O)NCc2ccccc2O)s1 ZINC000299573795 132111855 /nfs/dbraw/zinc/11/18/55/132111855.db2.gz PUBOFXZETVJUKT-UHFFFAOYSA-N 0 0 303.383 3.041 20 10 DGCDRN Cc1ccc(C)c(C(=O)CCC(=O)NCc2ccccc2O)c1 ZINC000299604108 132113055 /nfs/dbraw/zinc/11/30/55/132113055.db2.gz WEGMANNLRZEEJO-UHFFFAOYSA-N 0 0 311.381 3.288 20 10 DGCDRN CCn1cnc2c1ncnc2NCc1ccc(N2CCCC2)cc1 ZINC000299634391 132114101 /nfs/dbraw/zinc/11/41/01/132114101.db2.gz RLYBPSBORWLWPF-UHFFFAOYSA-N 0 0 322.416 3.059 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2c(C)noc2C)cc1F ZINC000066841386 400124942 /nfs/dbraw/zinc/12/49/42/400124942.db2.gz KKLNDJSDYYJVBT-UHFFFAOYSA-N 0 0 319.380 3.207 20 10 DGCDRN CCOc1cc(NCCc2ccc(O)c(O)c2)ccc1[N+](=O)[O-] ZINC000092665978 400191292 /nfs/dbraw/zinc/19/12/92/400191292.db2.gz HTNCZJJTRZLJGF-UHFFFAOYSA-N 0 0 318.329 3.059 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3ccncc3Cl)ccc21 ZINC000073057081 400427727 /nfs/dbraw/zinc/42/77/27/400427727.db2.gz QAEDFRZECPPSGX-UHFFFAOYSA-N 0 0 315.804 3.047 20 10 DGCDRN Cc1cc2ncn(C[C@@H](O)CSc3nccs3)c2cc1C ZINC000052914745 400754241 /nfs/dbraw/zinc/75/42/41/400754241.db2.gz YNODFUUOPSCYME-GFCCVEGCSA-N 0 0 319.455 3.263 20 10 DGCDRN COc1ccc(OC)c(NC(=O)[C@@H](C)Sc2nccs2)c1 ZINC000052913927 400754411 /nfs/dbraw/zinc/75/44/11/400754411.db2.gz FLOYWDKCIMDYBD-SECBINFHSA-N 0 0 324.427 3.280 20 10 DGCDRN COc1ccc(-c2nc(CSc3nccs3)no2)cc1 ZINC000052914614 400754643 /nfs/dbraw/zinc/75/46/43/400754643.db2.gz XHLHSEINQQVRSO-UHFFFAOYSA-N 0 0 305.384 3.494 20 10 DGCDRN COC(=O)c1cccc(C(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000055463157 400869648 /nfs/dbraw/zinc/86/96/48/400869648.db2.gz AGAWFAQTRWRVAN-UHFFFAOYSA-N 0 0 324.380 3.326 20 10 DGCDRN C=Cc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000185285628 400904538 /nfs/dbraw/zinc/90/45/38/400904538.db2.gz CXTZTBXXUOGMLE-UHFFFAOYSA-N 0 0 308.381 3.435 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCCC[C@@H]1OC ZINC000080484869 400956824 /nfs/dbraw/zinc/95/68/24/400956824.db2.gz HMFYSSXPAUGNRB-RDJZCZTQSA-N 0 0 320.433 3.271 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CCc2cccs2)cc1F ZINC000058731043 401069257 /nfs/dbraw/zinc/06/92/57/401069257.db2.gz ROHHZMXWTUPCNM-UHFFFAOYSA-N 0 0 306.406 3.202 20 10 DGCDRN COCCN(CCC(F)(F)F)c1ccc(OC)c(OC)c1 ZINC000081155850 401035038 /nfs/dbraw/zinc/03/50/38/401035038.db2.gz PRILZCFLKGKQFL-UHFFFAOYSA-N 0 0 307.312 3.109 20 10 DGCDRN CCc1ccc(CN(C)C(=O)CSc2nccs2)cc1 ZINC000060760003 401134378 /nfs/dbraw/zinc/13/43/78/401134378.db2.gz QKCQXGALMHKTLI-UHFFFAOYSA-N 0 0 306.456 3.456 20 10 DGCDRN CC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1cccc(Cl)c1[O-] ZINC000287643173 286926492 /nfs/dbraw/zinc/92/64/92/286926492.db2.gz KYHFFAYWNOVYQD-BXUZGUMPSA-N 0 0 320.824 3.001 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CCc2c1cccc2O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273469106 287071169 /nfs/dbraw/zinc/07/11/69/287071169.db2.gz FGJVEUUEOGMTHC-BMIGLBTASA-N 0 0 314.341 3.344 20 10 DGCDRN CCc1c(C(=O)N(C)Cc2ccccc2O)cnn1C(C)(C)C ZINC000269092658 432154159 /nfs/dbraw/zinc/15/41/59/432154159.db2.gz HVRJTJLLBZPLKA-UHFFFAOYSA-N 0 0 315.417 3.178 20 10 DGCDRN CN(Cc1cccnc1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000171738128 432166303 /nfs/dbraw/zinc/16/63/03/432166303.db2.gz FQHDKHNYSLWLJY-UHFFFAOYSA-N 0 0 324.428 3.023 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC12CC3CC(CC(C3)C1)C2 ZINC000140996232 432185093 /nfs/dbraw/zinc/18/50/93/432185093.db2.gz STPICOLLCIHTBM-DUXPYHPUSA-N 0 0 313.397 3.196 20 10 DGCDRN CC(C)CONC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000269695286 432199149 /nfs/dbraw/zinc/19/91/49/432199149.db2.gz IJEDNGCZCYGOAZ-UHFFFAOYSA-N 0 0 305.422 3.014 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)COc1ccccc1 ZINC000348707143 229205640 /nfs/dbraw/zinc/20/56/40/229205640.db2.gz QLIIYGQZVFZTOE-UHFFFAOYSA-N 0 0 308.381 3.182 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)NC(C)(C)CF)ccc21 ZINC000354445023 229295168 /nfs/dbraw/zinc/29/51/68/229295168.db2.gz PFFJZRMBMCVXPO-UHFFFAOYSA-N 0 0 320.408 3.382 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCCSC1 ZINC000349495464 229214813 /nfs/dbraw/zinc/21/48/13/229214813.db2.gz ULLFYEYUDWBWSM-CYBMUJFWSA-N 0 0 317.458 3.182 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1CCCS1 ZINC000349665400 229215791 /nfs/dbraw/zinc/21/57/91/229215791.db2.gz ITLVZWWRHZBWJS-ZDUSSCGKSA-N 0 0 317.458 3.182 20 10 DGCDRN Cc1n[nH]c(C)c1[C@@H](C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000352136249 229243898 /nfs/dbraw/zinc/24/38/98/229243898.db2.gz XAZFMBZDDKOTMM-GFCCVEGCSA-N 0 0 324.428 3.247 20 10 DGCDRN CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000191196915 432234071 /nfs/dbraw/zinc/23/40/71/432234071.db2.gz BSACKPCYWVSUJJ-LBPRGKRZSA-N 0 0 312.404 3.441 20 10 DGCDRN CCN(C(=O)Cc1ccc(N)cc1)[C@@H](C)c1cccc(OC)c1 ZINC000237027721 276299666 /nfs/dbraw/zinc/29/96/66/276299666.db2.gz STZSOSSAGPDKJN-AWEZNQCLSA-N 0 0 312.413 3.430 20 10 DGCDRN CN1CCCN(C(=O)/C=C\c2cncs2)c2ccc(F)cc21 ZINC000493510104 277047208 /nfs/dbraw/zinc/04/72/08/277047208.db2.gz CDTZCVLYZWMDSK-XQRVVYSFSA-N 0 0 317.389 3.169 20 10 DGCDRN CSc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)o1 ZINC000173190757 278171392 /nfs/dbraw/zinc/17/13/92/278171392.db2.gz KMKFUEQHZWWVOE-UHFFFAOYSA-N 0 0 318.398 3.107 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccncc1 ZINC000273588298 288060971 /nfs/dbraw/zinc/06/09/71/288060971.db2.gz OKANEGXOUXJABF-NHYWBVRUSA-N 0 0 301.346 3.497 20 10 DGCDRN CC[C@H]([NH2+][C@H](C)[C@H](CO)SC)c1cccc(Cl)c1[O-] ZINC000287880034 288079769 /nfs/dbraw/zinc/07/97/69/288079769.db2.gz YJJFFURRLZCOOZ-ICCXJUOJSA-N 0 0 303.855 3.199 20 10 DGCDRN Cc1ncsc1/C=C\C(=O)N1CCOc2cc(F)ccc21 ZINC000492742464 279178691 /nfs/dbraw/zinc/17/86/91/279178691.db2.gz NPISTVSKKAVDFO-PLNGDYQASA-N 0 0 304.346 3.029 20 10 DGCDRN CCc1nnc(CN(c2ccc(OC)cc2)[C@@H](C)C2CC2)o1 ZINC000109774425 431179803 /nfs/dbraw/zinc/17/98/03/431179803.db2.gz ZZLYHLGQINRWID-LBPRGKRZSA-N 0 0 301.390 3.446 20 10 DGCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)OC1CCCC1 ZINC000108669688 431149314 /nfs/dbraw/zinc/14/93/14/431149314.db2.gz FQUFZVLBMHVSER-JXMROGBWSA-N 0 0 301.386 3.022 20 10 DGCDRN O=C(C[C@H]1C=CCC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000071808909 431293944 /nfs/dbraw/zinc/29/39/44/431293944.db2.gz ZJQOTHYXSXNVJW-DOTOQJQBSA-N 0 0 315.413 3.256 20 10 DGCDRN Cc1cccc(NCc2ccc(N3CCC(CO)CC3)cc2)n1 ZINC000114184840 431373893 /nfs/dbraw/zinc/37/38/93/431373893.db2.gz KIUJVCOGVRWQQH-UHFFFAOYSA-N 0 0 311.429 3.211 20 10 DGCDRN COc1cccc(CNC(=O)N[C@H](C)c2ccc(C)cc2)c1O ZINC000073781647 431381604 /nfs/dbraw/zinc/38/16/04/431381604.db2.gz PHKQWNFLDPKHFQ-CYBMUJFWSA-N 0 0 314.385 3.270 20 10 DGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C(C)C ZINC000075416575 431475075 /nfs/dbraw/zinc/47/50/75/431475075.db2.gz NCNUSNSEHLQXFH-UHFFFAOYSA-N 0 0 300.196 3.159 20 10 DGCDRN CCN(C(=O)/C=C/c1cnc2ccccc2n1)c1ccncc1 ZINC000117665517 431574871 /nfs/dbraw/zinc/57/48/71/431574871.db2.gz QWTDUZSEUTWHRL-BQYQJAHWSA-N 0 0 304.353 3.091 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCCCO1 ZINC000119017587 431633834 /nfs/dbraw/zinc/63/38/34/431633834.db2.gz IBDHKVQBWPAJEF-SFHVURJKSA-N 0 0 316.445 3.204 20 10 DGCDRN NC(=O)c1ccc(NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000120138544 431723869 /nfs/dbraw/zinc/72/38/69/431723869.db2.gz UFPKBEXTWUMONH-UHFFFAOYSA-N 0 0 309.413 3.388 20 10 DGCDRN COc1ccc(N2CCN([C@H](C)c3ccccn3)CC2)cc1F ZINC000122097525 431813135 /nfs/dbraw/zinc/81/31/35/431813135.db2.gz COGABNPFCYOCKC-CQSZACIVSA-N 0 0 315.392 3.113 20 10 DGCDRN Cc1cncc(/C=C/C(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000123853766 431875942 /nfs/dbraw/zinc/87/59/42/431875942.db2.gz NYDCLBGEUCDSEQ-SOFGYWHQSA-N 0 0 321.424 3.102 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1sc(C)nc1C ZINC000053661712 431965065 /nfs/dbraw/zinc/96/50/65/431965065.db2.gz CWRUZZOQGGCIRK-UHFFFAOYSA-N 0 0 317.458 3.488 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)c1ccccc1 ZINC000183484526 432297156 /nfs/dbraw/zinc/29/71/56/432297156.db2.gz IUEAQCVDRCIOBD-CYBMUJFWSA-N 0 0 313.397 3.123 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccccc1Cl ZINC000173191317 432264126 /nfs/dbraw/zinc/26/41/26/432264126.db2.gz CWZUHILQRDFZRX-UHFFFAOYSA-N 0 0 316.788 3.445 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(Cl)cc1 ZINC000173194399 432264226 /nfs/dbraw/zinc/26/42/26/432264226.db2.gz RNJXOVDMALULKH-UHFFFAOYSA-N 0 0 316.788 3.445 20 10 DGCDRN COc1ccc([C@H](C)CC(=O)NCCc2ccc(N)cc2)cc1 ZINC000152546172 432339731 /nfs/dbraw/zinc/33/97/31/432339731.db2.gz XPDSGEYTQLWDSJ-CQSZACIVSA-N 0 0 312.413 3.130 20 10 DGCDRN Cc1ccc(C(=O)N(C)c2ccc(OC(C)C)cc2)c(O)c1O ZINC000192263147 432352029 /nfs/dbraw/zinc/35/20/29/432352029.db2.gz XKPOLCRWLSZKDM-UHFFFAOYSA-N 0 0 315.369 3.470 20 10 DGCDRN Cc1nc(CC[N@@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])no1 ZINC000271207950 432354633 /nfs/dbraw/zinc/35/46/33/432354633.db2.gz ZDKSLSCKYIUUAA-UHFFFAOYSA-N 0 0 316.188 3.065 20 10 DGCDRN Cc1cc(C)cc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000152980295 432374117 /nfs/dbraw/zinc/37/41/17/432374117.db2.gz VTLDHYFAQIYIGG-ZDUSSCGKSA-N 0 0 314.385 3.467 20 10 DGCDRN C[C@@H]1CC[C@H](CCC(=O)N(C)Cc2ccc(N(C)C)cc2)O1 ZINC000175004078 432388519 /nfs/dbraw/zinc/38/85/19/432388519.db2.gz PQEIRHKVPPEUPU-RHSMWYFYSA-N 0 0 304.434 3.059 20 10 DGCDRN CC(C)NC(=O)CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192649963 432396263 /nfs/dbraw/zinc/39/62/63/432396263.db2.gz QGNVBAZDCJPIIJ-VIFPVBQESA-N 0 0 319.232 3.264 20 10 DGCDRN CCc1nnc([C@H](C)N[C@@H](CC)c2ccc(N(C)C)cc2)[nH]1 ZINC000271443604 432397450 /nfs/dbraw/zinc/39/74/50/432397450.db2.gz FKTXFCXTMJXBLY-WFASDCNBSA-N 0 0 301.438 3.235 20 10 DGCDRN C[C@@H]([NH2+]Cc1cnn(C)c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192721000 432404828 /nfs/dbraw/zinc/40/48/28/432404828.db2.gz RJCXILQNYFWRML-MRVPVSSYSA-N 0 0 300.189 3.283 20 10 DGCDRN Cc1nnc(CN(Cc2ccc(N(C)C)cc2)C(C)C)s1 ZINC000271484211 432405604 /nfs/dbraw/zinc/40/56/04/432405604.db2.gz YLFUTQPMCIOLBJ-UHFFFAOYSA-N 0 0 304.463 3.323 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3ccoc3Cl)ccc21 ZINC000192296725 432356156 /nfs/dbraw/zinc/35/61/56/432356156.db2.gz VERZIIBIFAAGCC-UHFFFAOYSA-N 0 0 304.777 3.245 20 10 DGCDRN C[C@H]1CC[C@@H](CCC(=O)NCc2ccc(N3CCCC3)cc2)O1 ZINC000175369324 432429013 /nfs/dbraw/zinc/42/90/13/432429013.db2.gz PNWXEWALNCWDDG-YJBOKZPZSA-N 0 0 316.445 3.251 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCO[C@@H](C)C2)cc1F ZINC000271970065 432433880 /nfs/dbraw/zinc/43/38/80/432433880.db2.gz IDCJXUIFILNOIZ-DZGCQCFKSA-N 0 0 322.424 3.103 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc2ccccn2c1 ZINC000175425972 432435920 /nfs/dbraw/zinc/43/59/20/432435920.db2.gz GAIRCPIMCJFNPI-UHFFFAOYSA-N 0 0 321.380 3.045 20 10 DGCDRN C[C@@]1(c2ccccc2)CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000193068821 432445479 /nfs/dbraw/zinc/44/54/79/432445479.db2.gz XBTHQMVMMATXNQ-LJQANCHMSA-N 0 0 311.381 3.292 20 10 DGCDRN C[C@H]([NH2+]CC1(C)OCCO1)c1cc(Cl)c(Cl)cc1[O-] ZINC000193065709 432446156 /nfs/dbraw/zinc/44/61/56/432446156.db2.gz OTZZUBXQOZAYAH-QMMMGPOBSA-N 0 0 306.189 3.113 20 10 DGCDRN C[C@@H]([NH2+]CCCN(C)CC(F)(F)F)c1ccc(F)cc1[O-] ZINC000185026831 432457361 /nfs/dbraw/zinc/45/73/61/432457361.db2.gz PGRUQESMJQRSOA-SNVBAGLBSA-N 0 0 308.319 3.066 20 10 DGCDRN COc1ccccc1C[N@H+](CCO)Cc1cccc(Cl)c1[O-] ZINC000271710612 432421656 /nfs/dbraw/zinc/42/16/56/432421656.db2.gz GVKGSKMVEFZQNH-UHFFFAOYSA-N 0 0 321.804 3.049 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)c2ncon2)c(C)n1-c1ccccc1C ZINC000154484798 432501065 /nfs/dbraw/zinc/50/10/65/432501065.db2.gz VXVSGVKEJBLDFM-ZDUSSCGKSA-N 0 0 324.384 3.277 20 10 DGCDRN COc1cccc(CNC(=O)C2(Cc3ccccc3)CC2)c1O ZINC000176286917 432507152 /nfs/dbraw/zinc/50/71/52/432507152.db2.gz QSFBAERQLKRILI-UHFFFAOYSA-N 0 0 311.381 3.040 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ccc(F)cc1[O-] ZINC000185525313 432508351 /nfs/dbraw/zinc/50/83/51/432508351.db2.gz ANUYZHYPJAYBSM-DZGCQCFKSA-N 0 0 303.377 3.348 20 10 DGCDRN C[C@@H]([NH2+]CCC(=O)NC1CCCCC1)c1ccc(F)cc1[O-] ZINC000185091030 432465861 /nfs/dbraw/zinc/46/58/61/432465861.db2.gz PQGRMHPFQBCGTC-GFCCVEGCSA-N 0 0 308.397 3.021 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N(C)Cc1ncon1 ZINC000272234107 432466997 /nfs/dbraw/zinc/46/69/97/432466997.db2.gz MITCFKJSXQJNJC-UHFFFAOYSA-N 0 0 324.384 3.058 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185831039 432536088 /nfs/dbraw/zinc/53/60/88/432536088.db2.gz HEYRDFHRTPGKHM-KXUCPTDWSA-N 0 0 302.201 3.287 20 10 DGCDRN COc1ccc([C@H](CCO)[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000185825958 432537191 /nfs/dbraw/zinc/53/71/91/432537191.db2.gz UEUOLYVCIRWIAQ-PXAZEXFGSA-N 0 0 319.376 3.314 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)c2nc[nH]n2)c(C)n1-c1ccccc1C ZINC000176740144 432548448 /nfs/dbraw/zinc/54/84/48/432548448.db2.gz BOWHIKJZIWBNES-ZDUSSCGKSA-N 0 0 323.400 3.012 20 10 DGCDRN C[C@H]([NH2+]CC1(C)OCCO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000186212084 432569555 /nfs/dbraw/zinc/56/95/55/432569555.db2.gz PQGZXZCMVNOJQW-QMMMGPOBSA-N 0 0 306.189 3.113 20 10 DGCDRN CCOC(=O)[C@H](NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000194742602 432573613 /nfs/dbraw/zinc/57/36/13/432573613.db2.gz XOIDUDUIZLJJOC-GOSISDBHSA-N 0 0 312.413 3.147 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c1[O-] ZINC000177027897 432576624 /nfs/dbraw/zinc/57/66/24/432576624.db2.gz JUKULKNPNJHZST-LBPRGKRZSA-N 0 0 323.820 3.249 20 10 DGCDRN C[C@@H]1CCN(C(=O)/C=C/c2cncc(F)c2)c2c(O)cccc21 ZINC000186306280 432579128 /nfs/dbraw/zinc/57/91/28/432579128.db2.gz CEMQBGOWOXHRQK-BTDICHCPSA-N 0 0 312.344 3.480 20 10 DGCDRN COc1ccc(N(C)Cc2nccn2CC(F)(F)F)cc1F ZINC000177067608 432581716 /nfs/dbraw/zinc/58/17/16/432581716.db2.gz UUYPCAUDWDOHET-UHFFFAOYSA-N 0 0 317.286 3.230 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2ccnn2C(C)(C)C)cc1 ZINC000186471672 432598367 /nfs/dbraw/zinc/59/83/67/432598367.db2.gz YBQHWSKPAFAMSM-UHFFFAOYSA-N 0 0 315.421 3.026 20 10 DGCDRN COc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)cc1 ZINC000187059895 432644657 /nfs/dbraw/zinc/64/46/57/432644657.db2.gz GJCRPXHGNTUIIJ-UHFFFAOYSA-N 0 0 321.398 3.127 20 10 DGCDRN CC(C)(C)OC(=O)N1CCC(C[NH2+]Cc2ccccc2O)CC1 ZINC000227443553 432711017 /nfs/dbraw/zinc/71/10/17/432711017.db2.gz CFQKTWXSLZIGJB-UHFFFAOYSA-N 0 0 320.433 3.129 20 10 DGCDRN Cc1nc2c(s1)[C@H](N(C)C(=O)c1cccc(O)c1O)CCC2 ZINC000188472671 432726619 /nfs/dbraw/zinc/72/66/19/432726619.db2.gz OVIUYTNLNMECJG-GFCCVEGCSA-N 0 0 318.398 3.012 20 10 DGCDRN Cc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(C)c1 ZINC000187616969 432673538 /nfs/dbraw/zinc/67/35/38/432673538.db2.gz OADNKPDWKWPJAV-ZDUSSCGKSA-N 0 0 314.385 3.467 20 10 DGCDRN Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187716614 432679857 /nfs/dbraw/zinc/67/98/57/432679857.db2.gz WJDQYGZUEIBVEQ-XHDPSFHLSA-N 0 0 307.340 3.363 20 10 DGCDRN COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])c1 ZINC000187714361 432679890 /nfs/dbraw/zinc/67/98/90/432679890.db2.gz HPKSQDURIGXTTG-BONVTDFDSA-N 0 0 323.339 3.063 20 10 DGCDRN C[C@@H]([NH2+]CCCNc1ccccn1)c1ccc(F)c(F)c1[O-] ZINC000187750516 432683760 /nfs/dbraw/zinc/68/37/60/432683760.db2.gz RUWSCQRWCUVWEQ-LLVKDONJSA-N 0 0 307.344 3.218 20 10 DGCDRN CC(C)=CCCNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000276706222 432824142 /nfs/dbraw/zinc/82/41/42/432824142.db2.gz PAAZGNIHRYKYQF-JXMROGBWSA-N 0 0 314.429 3.009 20 10 DGCDRN CCCCn1ncc(C(=O)N(C)Cc2ccccc2O)c1CC ZINC000277137137 432830632 /nfs/dbraw/zinc/83/06/32/432830632.db2.gz PFKXMMRZBFGFLY-UHFFFAOYSA-N 0 0 315.417 3.223 20 10 DGCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H]1C ZINC000267790627 432837101 /nfs/dbraw/zinc/83/71/01/432837101.db2.gz VDSYQJOMGFIXJC-HUUCEWRRSA-N 0 0 301.434 3.084 20 10 DGCDRN COc1ccc(O)c(CNc2cc3c(cc2Cl)OCCO3)c1 ZINC000237363176 432785837 /nfs/dbraw/zinc/78/58/37/432785837.db2.gz ROFGJCTXROALGR-UHFFFAOYSA-N 0 0 321.760 3.438 20 10 DGCDRN CCN(CCO[C@H]1CCCCO1)c1ccc(OC)c(OC)c1 ZINC000277690140 432869641 /nfs/dbraw/zinc/86/96/41/432869641.db2.gz LFFPIQIDSCLNAN-KRWDZBQOSA-N 0 0 309.406 3.073 20 10 DGCDRN COc1cccc(N2CC[C@H]([NH2+][C@@H]3CCc4cccc(O)c43)C2)c1 ZINC000296225457 432885310 /nfs/dbraw/zinc/88/53/10/432885310.db2.gz AHJOOFWKVUMHTQ-MAUKXSAKSA-N 0 0 324.424 3.257 20 10 DGCDRN CCCC[C@H]1NC(=O)N(c2cc(Cl)c(N)c(Cl)c2)C1=O ZINC000278190830 432889800 /nfs/dbraw/zinc/88/98/00/432889800.db2.gz RLDJSKQIVJPOFD-SNVBAGLBSA-N 0 0 316.188 3.191 20 10 DGCDRN C[C@H](CC[NH2+]Cc1ccc(N2CCCCC2)cc1)CC(=O)[O-] ZINC000277348453 432840592 /nfs/dbraw/zinc/84/05/92/432840592.db2.gz PGSQEVLZTMTIRY-OAHLLOKOSA-N 0 0 304.434 3.267 20 10 DGCDRN CC(C)C(C)(C)C(=O)NCc1cccc(Br)c1O ZINC000277427239 432849082 /nfs/dbraw/zinc/84/90/82/432849082.db2.gz DKEAJYBCFIEHPN-UHFFFAOYSA-N 0 0 314.223 3.453 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]CCC[C@@H](C)C(=O)[O-])cc1F ZINC000277457185 432851348 /nfs/dbraw/zinc/85/13/48/432851348.db2.gz VJQFMWZLHQUYTD-CYBMUJFWSA-N 0 0 310.413 3.262 20 10 DGCDRN C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cccc(O)c1O ZINC000279255630 432950822 /nfs/dbraw/zinc/95/08/22/432950822.db2.gz IRDIDQALHSYHTN-ZFWWWQNUSA-N 0 0 311.381 3.191 20 10 DGCDRN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)Cc2cccc(F)c2)c(O)c1 ZINC000297216071 432976657 /nfs/dbraw/zinc/97/66/57/432976657.db2.gz GZVCBKSSCUFABA-RHSMWYFYSA-N 0 0 317.404 3.402 20 10 DGCDRN CC[C@@H]([NH2+]Cc1ccc(OC)nc1OC)c1ccc(C)cc1O ZINC000290057106 432985187 /nfs/dbraw/zinc/98/51/87/432985187.db2.gz FJODWMIPOKRHKE-OAHLLOKOSA-N 0 0 316.401 3.354 20 10 DGCDRN COc1cccc(CNC(=O)CCc2ccc(C)s2)c1O ZINC000290112369 432994613 /nfs/dbraw/zinc/99/46/13/432994613.db2.gz MMHFXECBMXXWBA-UHFFFAOYSA-N 0 0 305.399 3.020 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)[C@H](F)CC1CCCCC1 ZINC000279848509 432996369 /nfs/dbraw/zinc/99/63/69/432996369.db2.gz JXGKSWADLMISBN-CQSZACIVSA-N 0 0 309.381 3.065 20 10 DGCDRN CN(C)c1ccc(CNc2nncs2)c(C(F)(F)F)c1 ZINC000280100977 433001614 /nfs/dbraw/zinc/00/16/14/433001614.db2.gz UOULYCACUZHVHQ-UHFFFAOYSA-N 0 0 302.325 3.235 20 10 DGCDRN CO[C@H]1CCC[C@@H](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000280252360 433023132 /nfs/dbraw/zinc/02/31/32/433023132.db2.gz LVSXESWHSDAXMU-AEFFLSMTSA-N 0 0 318.461 3.306 20 10 DGCDRN O=C1O[C@H](CN2CCCc3cc(OC(F)F)ccc32)CC12CC2 ZINC000373012949 433072585 /nfs/dbraw/zinc/07/25/85/433072585.db2.gz JMPZGCFUKZEAOR-ZDUSSCGKSA-N 0 0 323.339 3.136 20 10 DGCDRN CC[C@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1ccccc1O ZINC000373212836 433129404 /nfs/dbraw/zinc/12/94/04/433129404.db2.gz VHUSGOPJWGSXIW-INIZCTEOSA-N 0 0 308.385 3.214 20 10 DGCDRN CN(C(=O)c1cccc(O)c1O)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000290700049 433144332 /nfs/dbraw/zinc/14/43/32/433144332.db2.gz SPVBZZBZAZLNJO-AOOOYVTPSA-N 0 0 317.307 3.291 20 10 DGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@H]2CCC(F)(F)C2)c1[O-] ZINC000281852397 433404787 /nfs/dbraw/zinc/40/47/87/433404787.db2.gz YKWZQEXXNZZMBT-QMMMGPOBSA-N 0 0 320.723 3.479 20 10 DGCDRN CC(C)c1noc(NCc2ccc(N3CCSCC3)cc2)n1 ZINC000301210380 433455935 /nfs/dbraw/zinc/45/59/35/433455935.db2.gz ULFACTMSVANLFJ-UHFFFAOYSA-N 0 0 318.446 3.358 20 10 DGCDRN O=C(/C=C/c1cncs1)NCc1c(O)ccc2c1CCCC2 ZINC000282022257 433468122 /nfs/dbraw/zinc/46/81/22/433468122.db2.gz SGDJUEIMUZATJR-SOFGYWHQSA-N 0 0 314.410 3.057 20 10 DGCDRN CCc1nc([C@H]2CCCCN2Cc2cc(C)ccc2O)no1 ZINC000362095206 433526556 /nfs/dbraw/zinc/52/65/56/433526556.db2.gz BLWTYGMOEOCFHE-CQSZACIVSA-N 0 0 301.390 3.373 20 10 DGCDRN CCc1nsc(NCc2ccc(N3CCSCC3)cc2)n1 ZINC000301447306 433561208 /nfs/dbraw/zinc/56/12/08/433561208.db2.gz QPSGQJCHBBVREY-UHFFFAOYSA-N 0 0 320.487 3.266 20 10 DGCDRN CC(=O)c1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cs1 ZINC000292628296 433583759 /nfs/dbraw/zinc/58/37/59/433583759.db2.gz AUTVDPHTAFLZRI-UHFFFAOYSA-N 0 0 316.426 3.289 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc3c(c2)CCCC3=O)cc1 ZINC000292658490 433586790 /nfs/dbraw/zinc/58/67/90/433586790.db2.gz CVGMIQOWSKIKPL-UHFFFAOYSA-N 0 0 322.408 3.202 20 10 DGCDRN COc1ccc(N2CCCN(c3ccncc3Cl)CC2)cc1 ZINC000301543171 433602736 /nfs/dbraw/zinc/60/27/36/433602736.db2.gz WBLBDUIWWBNATI-UHFFFAOYSA-N 0 0 317.820 3.460 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)CCCCC(=O)OC ZINC000282434450 433607738 /nfs/dbraw/zinc/60/77/38/433607738.db2.gz HSCSSBJEXWSUMB-UHFFFAOYSA-N 0 0 321.417 3.254 20 10 DGCDRN CCN(Cc1nnc(C(C)(C)C)[nH]1)c1ccc(OC)c(OC)c1 ZINC000293013356 433609331 /nfs/dbraw/zinc/60/93/31/433609331.db2.gz UROIXRUZVKKFMG-UHFFFAOYSA-N 0 0 318.421 3.146 20 10 DGCDRN C[C@@H]1C[C@@H](C)[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)O1 ZINC000282529371 433614499 /nfs/dbraw/zinc/61/44/99/433614499.db2.gz LQVUPFSGAYFWQC-LBTNJELSSA-N 0 0 316.445 3.057 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ccc(OC(C)(C)C)cn1 ZINC000293236284 433668261 /nfs/dbraw/zinc/66/82/61/433668261.db2.gz DOWPWFUFXJTGEE-UHFFFAOYSA-N 0 0 314.385 3.237 20 10 DGCDRN COc1ccc(N(C)Cc2ncnn2C(C)(C)C)cc1Cl ZINC000283309167 433703982 /nfs/dbraw/zinc/70/39/82/433703982.db2.gz YYIPEWHDEDEBNN-UHFFFAOYSA-N 0 0 308.813 3.332 20 10 DGCDRN COCc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273391220 293302977 /nfs/dbraw/zinc/30/29/77/293302977.db2.gz KUSGNUZWGPOYED-LBPRGKRZSA-N 0 0 316.357 3.298 20 10 DGCDRN COCc1ccccc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273299377 293317070 /nfs/dbraw/zinc/31/70/70/293317070.db2.gz AZCVLIVDVAEIAO-LBPRGKRZSA-N 0 0 316.357 3.298 20 10 DGCDRN Cc1csc(CCCC(=O)N(C)Cc2ccccc2O)n1 ZINC000283454114 433728873 /nfs/dbraw/zinc/72/88/73/433728873.db2.gz OAXZSKADFQWHFU-UHFFFAOYSA-N 0 0 304.415 3.138 20 10 DGCDRN CN(C)c1ccc(CNc2ncnc3c2cnn3C(C)(C)C)cc1 ZINC000301842890 433752686 /nfs/dbraw/zinc/75/26/86/433752686.db2.gz QVAWRSWOCWKSRZ-UHFFFAOYSA-N 0 0 324.432 3.259 20 10 DGCDRN COCCN(CCC1(OC)CCC1)c1ccc(OC)c(OC)c1 ZINC000293696342 433835553 /nfs/dbraw/zinc/83/55/53/433835553.db2.gz CGQLYSUHMVAUSN-UHFFFAOYSA-N 0 0 323.433 3.116 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)CCC3CCC3)CC2)cc1 ZINC000362864577 433889702 /nfs/dbraw/zinc/88/97/02/433889702.db2.gz XTRKHGYBSGKVOW-UHFFFAOYSA-N 0 0 316.445 3.314 20 10 DGCDRN Cc1nccn1CCC[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293973720 433948371 /nfs/dbraw/zinc/94/83/71/433948371.db2.gz QVAVLAGQSHNDTD-UHFFFAOYSA-N 0 0 311.788 3.212 20 10 DGCDRN O=C(NCc1ccccc1O)NC[C@@H](c1ccccc1)C1CC1 ZINC000294077960 433987578 /nfs/dbraw/zinc/98/75/78/433987578.db2.gz CFMUNTAVLSCFDF-KRWDZBQOSA-N 0 0 310.397 3.385 20 10 DGCDRN O=C(CC1CC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000363198149 433992135 /nfs/dbraw/zinc/99/21/35/433992135.db2.gz AFEBRZJZSUOMAO-UHFFFAOYSA-N 0 0 324.371 3.173 20 10 DGCDRN CN(Cc1c([O-])ccc(Cl)c1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000377633363 433938606 /nfs/dbraw/zinc/93/86/06/433938606.db2.gz XSDZBBTUPNUVSX-FOSCPWQOSA-N 0 0 312.816 3.242 20 10 DGCDRN COc1ccc(N2CCN(C(=O)c3ccsc3C)CC2)cc1 ZINC000294286404 434072505 /nfs/dbraw/zinc/07/25/05/434072505.db2.gz HSBJBBSANGVKDC-UHFFFAOYSA-N 0 0 316.426 3.028 20 10 DGCDRN CC(C)C[C@H](C)OC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000294338709 434092534 /nfs/dbraw/zinc/09/25/34/434092534.db2.gz JROTXYVPEOHBBO-HNNXBMFYSA-N 0 0 320.433 3.184 20 10 DGCDRN CC[C@@H]([NH2+]C1CCN(CCCOC)CC1)c1ccc(F)cc1[O-] ZINC000285951539 434115709 /nfs/dbraw/zinc/11/57/09/434115709.db2.gz GEPRXEDPXZRUEC-QGZVFWFLSA-N 0 0 324.440 3.073 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CC1(F)F ZINC000294577520 434120793 /nfs/dbraw/zinc/12/07/93/434120793.db2.gz XTMCMLMWRRESOY-OAHLLOKOSA-N 0 0 308.372 3.291 20 10 DGCDRN O=C(/C=C/c1cncs1)N1C[C@@H]2CCCN2c2ccccc21 ZINC000493569611 294001861 /nfs/dbraw/zinc/00/18/61/294001861.db2.gz UVJXTXXSMFYZCS-GWJCSSMESA-N 0 0 311.410 3.172 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc2c1OCCC2 ZINC000378550711 434218541 /nfs/dbraw/zinc/21/85/41/434218541.db2.gz HRYQJPLLLSBMJW-VQHVLOKHSA-N 0 0 311.337 3.075 20 10 DGCDRN COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(F)cnc2Cl)c1 ZINC000295182537 434248412 /nfs/dbraw/zinc/24/84/12/434248412.db2.gz VYLGQVIAHVUWOL-VIFPVBQESA-N 0 0 310.756 3.439 20 10 DGCDRN C[N@H+](CCC1CCOCC1)Cc1cc(Cl)c(F)cc1[O-] ZINC000295448729 434366009 /nfs/dbraw/zinc/36/60/09/434366009.db2.gz VCJNWXNLSGPARO-UHFFFAOYSA-N 0 0 301.789 3.433 20 10 DGCDRN CC[C@@H]([NH2+]CCOCCOC)c1cc(Cl)cc(Cl)c1[O-] ZINC000287531034 434388706 /nfs/dbraw/zinc/38/87/06/434388706.db2.gz DPZHVYCUVCGXCO-CYBMUJFWSA-N 0 0 322.232 3.403 20 10 DGCDRN COC(=O)c1cnc(SCc2sc(C)nc2C)s1 ZINC000295409189 434348867 /nfs/dbraw/zinc/34/88/67/434348867.db2.gz XGAMNMFQOZDRBV-UHFFFAOYSA-N 0 0 300.430 3.295 20 10 DGCDRN CS[C@H]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000295561760 434414130 /nfs/dbraw/zinc/41/41/30/434414130.db2.gz NUNFXFPSCXCZAK-AWEZNQCLSA-N 0 0 315.442 3.067 20 10 DGCDRN CCC[C@@H]1CCC[C@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000295656340 434426422 /nfs/dbraw/zinc/42/64/22/434426422.db2.gz DNPTUIBVKVHPHL-NWANDNLSSA-N 0 0 305.418 3.361 20 10 DGCDRN CN1Cc2ccccc2[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000359900217 434451393 /nfs/dbraw/zinc/45/13/93/434451393.db2.gz OMEOPGLIIGSKSC-INIZCTEOSA-N 0 0 302.805 3.322 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CC(C)(C)OC(C)(C)C2)cc1OC ZINC000275992992 295026631 /nfs/dbraw/zinc/02/66/31/295026631.db2.gz FRKGAYGJFRWGAE-UHFFFAOYSA-N 0 0 324.377 3.006 20 10 DGCDRN CCn1ccnc1[C@@H]1CCCCN1Cc1cc(F)ccc1O ZINC000370703163 434618123 /nfs/dbraw/zinc/61/81/23/434618123.db2.gz YVNJHXIWHMKFMN-HNNXBMFYSA-N 0 0 303.381 3.475 20 10 DGCDRN C[C@@H]1C[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCO1 ZINC000271867861 297195889 /nfs/dbraw/zinc/19/58/89/297195889.db2.gz JTNBEILAZRAWCC-ZBFHGGJFSA-N 0 0 316.445 3.059 20 10 DGCDRN Cc1cc(N(C)C(=O)/C=C\c2ccccc2-n2cccn2)ccn1 ZINC000492049335 434905661 /nfs/dbraw/zinc/90/56/61/434905661.db2.gz SWPAMFILKYKHCZ-HJWRWDBZSA-N 0 0 318.380 3.252 20 10 DGCDRN Cc1ccncc1N(C)C(=O)/C=C\c1cnn(-c2ccccc2)c1 ZINC000492645524 435029541 /nfs/dbraw/zinc/02/95/41/435029541.db2.gz VFNJWBQIJDHLAS-HJWRWDBZSA-N 0 0 318.380 3.252 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1cccc(C)n1 ZINC000527456534 435011061 /nfs/dbraw/zinc/01/10/61/435011061.db2.gz SOBNHEUALWYHTQ-UHFFFAOYSA-N 0 0 322.412 3.190 20 10 DGCDRN CO[C@@H]1Cc2ccccc2N(C(=O)/C=C\c2ccc(C)nc2)C1 ZINC000492763803 435046503 /nfs/dbraw/zinc/04/65/03/435046503.db2.gz JNIALBWDNZGAKW-DOOKAGJSSA-N 0 0 308.381 3.008 20 10 DGCDRN Cc1ncsc1/C=C/C(=O)N(C)c1cnc2ccccc2n1 ZINC000493118910 435110914 /nfs/dbraw/zinc/11/09/14/435110914.db2.gz GAZIBTDMAQMILF-BQYQJAHWSA-N 0 0 310.382 3.071 20 10 DGCDRN C[C@H]1CN(C(=O)/C=C/c2cncs2)c2ccc(F)cc2O1 ZINC000493200644 435125868 /nfs/dbraw/zinc/12/58/68/435125868.db2.gz OYCKTOHNNJEFQX-GFAPAMAISA-N 0 0 304.346 3.110 20 10 DGCDRN CCN(C(=O)/C=C\c1cncs1)c1ccc(OC)c(OC)c1 ZINC000493356791 435154954 /nfs/dbraw/zinc/15/49/54/435154954.db2.gz RVGGUDNNCFTXTG-VURMDHGXSA-N 0 0 318.398 3.227 20 10 DGCDRN CCCC[C@@H](NCc1c(C)c2ccccc2n1C)C(=O)OC ZINC000481608019 435434506 /nfs/dbraw/zinc/43/45/06/435434506.db2.gz LCPPMDDKLAQLKG-OAHLLOKOSA-N 0 0 302.418 3.308 20 10 DGCDRN CCN(C(=O)/C=C\c1cccnc1)c1ccc(OC)c(OC)c1 ZINC000490854163 435684639 /nfs/dbraw/zinc/68/46/39/435684639.db2.gz BWHGVFFFIZXDSS-YFHOEESVSA-N 0 0 312.369 3.165 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC000649788738 435704095 /nfs/dbraw/zinc/70/40/95/435704095.db2.gz DWWCSNMSDYMBPV-CVEARBPZSA-N 0 0 314.429 3.304 20 10 DGCDRN O=C(/C=C\c1cnccn1)N(Cc1ccco1)c1ccccc1 ZINC000491188600 435712007 /nfs/dbraw/zinc/71/20/07/435712007.db2.gz XMKAOKWFLWEMIK-HJWRWDBZSA-N 0 0 305.337 3.316 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]3C)ccc21 ZINC000641243541 435721155 /nfs/dbraw/zinc/72/11/55/435721155.db2.gz QTCAJFIVEPHCGU-GFCCVEGCSA-N 0 0 300.402 3.139 20 10 DGCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H]2CC23CC3)CCCC1 ZINC000652466358 435988784 /nfs/dbraw/zinc/98/87/84/435988784.db2.gz OHCBUIDRWCKVNS-GOSISDBHSA-N 0 0 324.424 3.197 20 10 DGCDRN C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000173024699 533704661 /nfs/dbraw/zinc/70/46/61/533704661.db2.gz RVFYVBUIMCTLQI-JMSVASOKSA-N 0 0 324.371 3.029 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CC2(C1)CCCC2 ZINC000363740076 332237324 /nfs/dbraw/zinc/23/73/24/332237324.db2.gz VJHYSBFOIKNETO-UHFFFAOYSA-N 0 0 313.445 3.372 20 10 DGCDRN CC(C)[C@H]1N(C(=O)/C=C/c2ccc(O)c(O)c2)CC12CCC2 ZINC000293664677 335114852 /nfs/dbraw/zinc/11/48/52/335114852.db2.gz FWKHRILKVWKIIM-QQOXCAACSA-N 0 0 301.386 3.148 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000278403396 334096206 /nfs/dbraw/zinc/09/62/06/334096206.db2.gz OPBBWOZGMKOOCK-ZWNOBZJWSA-N 0 0 323.742 3.181 20 10 DGCDRN CCN(C[C@H](C)OC)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000291473356 334179056 /nfs/dbraw/zinc/17/90/56/334179056.db2.gz KSOKBGAFXUWWOO-HNNXBMFYSA-N 0 0 321.465 3.099 20 10 DGCDRN Cc1ncsc1CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000295141445 334219833 /nfs/dbraw/zinc/21/98/33/334219833.db2.gz ZWIVOEQEGZJCLJ-UHFFFAOYSA-N 0 0 300.786 3.282 20 10 DGCDRN Cc1ccc(O)c([C@H](C)[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC000296388292 334233349 /nfs/dbraw/zinc/23/33/49/334233349.db2.gz JXTOQIHZZXVQAZ-HRCADAONSA-N 0 0 324.424 3.043 20 10 DGCDRN Cc1ncc(/C=C/C(=O)N(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000112231537 334377330 /nfs/dbraw/zinc/37/73/30/334377330.db2.gz QXXIZPXKEMQRRW-BQYQJAHWSA-N 0 0 303.343 3.036 20 10 DGCDRN Cc1cnc(N[C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000302896274 336373711 /nfs/dbraw/zinc/37/37/11/336373711.db2.gz QYMNQBHZXHARQN-CYBMUJFWSA-N 0 0 303.431 3.461 20 10 DGCDRN CCN(CC)c1ccc(CNc2ncnc(N)c2Cl)cc1F ZINC000302920697 336374270 /nfs/dbraw/zinc/37/42/70/336374270.db2.gz ZLQUZSRZRHSTQE-UHFFFAOYSA-N 0 0 323.803 3.310 20 10 DGCDRN CCc1nc(C(=O)NCc2c(C)c3ccccc3n2C)c(C)o1 ZINC000355445361 336509534 /nfs/dbraw/zinc/50/95/34/336509534.db2.gz XGZNKHCKIQBNAF-UHFFFAOYSA-N 0 0 311.385 3.276 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C/c2cncc(C)c2)c(OC)c1 ZINC000127667451 340854907 /nfs/dbraw/zinc/85/49/07/340854907.db2.gz QRLKRMILEQONRZ-VMPITWQZSA-N 0 0 312.369 3.083 20 10 DGCDRN CN(C(=O)/C=C/c1cnc2ccccc2n1)c1ccc(Cl)cn1 ZINC000076347060 341206124 /nfs/dbraw/zinc/20/61/24/341206124.db2.gz VRAUSLXGGBDMNV-VQHVLOKHSA-N 0 0 324.771 3.354 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@H](O)CC1 ZINC000295081556 533721539 /nfs/dbraw/zinc/72/15/39/533721539.db2.gz ZKSCJPQYRBFYIF-AWEZNQCLSA-N 0 0 318.442 3.143 20 10 DGCDRN CC(C)c1cc(NC(=O)NCc2ccc(N(C)C)cc2)no1 ZINC000266393374 519833352 /nfs/dbraw/zinc/83/33/52/519833352.db2.gz NNAWXNVRFPGVKV-UHFFFAOYSA-N 0 0 302.378 3.186 20 10 DGCDRN CCCSCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000264679474 520549684 /nfs/dbraw/zinc/54/96/84/520549684.db2.gz KQELHAXIIATJLU-HNNXBMFYSA-N 0 0 323.458 3.043 20 10 DGCDRN CCC[C@@H](C)N(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000265978014 520638221 /nfs/dbraw/zinc/63/82/21/520638221.db2.gz WGQDMBPBTCUCMR-OAHLLOKOSA-N 0 0 301.434 3.393 20 10 DGCDRN CCN(CC)c1ccc(CNC(C)(C)c2noc(C)n2)cc1F ZINC000265808972 520905806 /nfs/dbraw/zinc/90/58/06/520905806.db2.gz VMMDYFSEBSCROS-UHFFFAOYSA-N 0 0 320.412 3.388 20 10 DGCDRN CCN(CC)c1ccc(CNCc2ncc(Cl)n2C)cc1F ZINC000265738704 520907642 /nfs/dbraw/zinc/90/76/42/520907642.db2.gz DGMNMPGNEPGUQL-UHFFFAOYSA-N 0 0 324.831 3.349 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC=CCC1 ZINC000172483069 521318980 /nfs/dbraw/zinc/31/89/80/521318980.db2.gz ZGSIHLNLJXXTII-MRXNPFEDSA-N 0 0 301.434 3.393 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CCSCC1 ZINC000264918342 521319012 /nfs/dbraw/zinc/31/90/12/521319012.db2.gz QPRDUZFDLFBFJC-UHFFFAOYSA-N 0 0 306.475 3.244 20 10 DGCDRN CCC(CC)c1nnc(NC(=O)Cc2ccc(N)cc2)s1 ZINC000236724853 521634758 /nfs/dbraw/zinc/63/47/58/521634758.db2.gz YRKCNJDNLGOMHL-UHFFFAOYSA-N 0 0 304.419 3.205 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)CC[C@@H]1CC[C@H](C)O1 ZINC000175866878 521687988 /nfs/dbraw/zinc/68/79/88/521687988.db2.gz KIDLWXXCYUKGCD-HOCLYGCPSA-N 0 0 305.418 3.479 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)CCc1cscn1 ZINC000263861188 521688027 /nfs/dbraw/zinc/68/80/27/521688027.db2.gz AQYLMGCUZBHCLE-UHFFFAOYSA-N 0 0 304.415 3.220 20 10 DGCDRN COCCc1ccccc1NCc1cc(OC)c(OC)cc1O ZINC000191679538 522024898 /nfs/dbraw/zinc/02/48/98/522024898.db2.gz JPMFIOXPCVRZJB-UHFFFAOYSA-N 0 0 317.385 3.210 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)CCc2ccc(O)cc2)cc1 ZINC000183537077 522167005 /nfs/dbraw/zinc/16/70/05/522167005.db2.gz OJDYRGPJZYIEEG-UHFFFAOYSA-N 0 0 312.413 3.049 20 10 DGCDRN CC[C@H](SC)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000269477132 522901462 /nfs/dbraw/zinc/90/14/62/522901462.db2.gz KUAZCUYGAUJINZ-INIZCTEOSA-N 0 0 306.475 3.385 20 10 DGCDRN CC[C@H]1CCc2nc(NC(=O)Cc3ccc(N)cc3)sc2C1 ZINC000237078974 523207943 /nfs/dbraw/zinc/20/79/43/523207943.db2.gz DONPVTKPYPVCBX-NSHDSACASA-N 0 0 315.442 3.421 20 10 DGCDRN CC[C@H]1C[C@H](C(=O)NCc2ccc(N(CC)CC)cc2)CCO1 ZINC000183211153 523388768 /nfs/dbraw/zinc/38/87/68/523388768.db2.gz PTELHEHZJFVNOO-AEFFLSMTSA-N 0 0 318.461 3.354 20 10 DGCDRN CCn1cnnc1CN[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000158471167 523591465 /nfs/dbraw/zinc/59/14/65/523591465.db2.gz IVGDNVGNDUUTAE-HNNXBMFYSA-N 0 0 313.449 3.139 20 10 DGCDRN CO[C@H](C)c1nc(CNCc2cc(C)c(C)cc2O)cs1 ZINC000267594997 523915587 /nfs/dbraw/zinc/91/55/87/523915587.db2.gz BYOOIXJSIRYMHV-GFCCVEGCSA-N 0 0 306.431 3.463 20 10 DGCDRN CCc1ccc([C@H](C)CC(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000182514098 524043127 /nfs/dbraw/zinc/04/31/27/524043127.db2.gz FURCFTPKOMQMRV-CYBMUJFWSA-N 0 0 313.397 3.470 20 10 DGCDRN CCc1cccc(C)c1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000267929899 524064723 /nfs/dbraw/zinc/06/47/23/524064723.db2.gz NPVWFFURMZBZDL-UHFFFAOYSA-N 0 0 314.385 3.333 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCCc2sccc21 ZINC000137391756 534774802 /nfs/dbraw/zinc/77/48/02/534774802.db2.gz FBWGPLJCDLOJPO-VUDGCMKMSA-N 0 0 315.394 3.366 20 10 DGCDRN C[C@@H](CCc1cccc(F)c1)C(=O)NCc1ccc(O)c(O)c1 ZINC000158996016 524527985 /nfs/dbraw/zinc/52/79/85/524527985.db2.gz XBQVJGXWYHYAIY-LBPRGKRZSA-N 0 0 317.360 3.122 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@H]2CCCc3sccc32)c1 ZINC000156202689 524749202 /nfs/dbraw/zinc/74/92/02/524749202.db2.gz XKJFKBCIUGUOIC-AWEZNQCLSA-N 0 0 317.410 3.199 20 10 DGCDRN Cc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)sc1C ZINC000173198888 526257399 /nfs/dbraw/zinc/25/73/99/526257399.db2.gz MQEYSJPTRXTINR-UHFFFAOYSA-N 0 0 316.426 3.470 20 10 DGCDRN O=C(CC1CCCC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000248004957 526353385 /nfs/dbraw/zinc/35/33/85/526353385.db2.gz SPLTYZJOUGQXAY-QGZVFWFLSA-N 0 0 317.429 3.480 20 10 DGCDRN c1cc2c(ncnc2N2CC=C(c3c[nH]c4ncccc34)CC2)[nH]1 ZINC000339239746 526442674 /nfs/dbraw/zinc/44/26/74/526442674.db2.gz RUMNVJBJXWEUNK-UHFFFAOYSA-N 0 0 316.368 3.128 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CC1(Cl)Cl ZINC000156349924 526636399 /nfs/dbraw/zinc/63/63/99/526636399.db2.gz AGRMBVDYBJOAKD-LBPRGKRZSA-N 0 0 314.212 3.081 20 10 DGCDRN Cc1nc(C)c([C@@H](C)N(C)C(=O)Cc2ccc(N)cc2)s1 ZINC000237407426 526740556 /nfs/dbraw/zinc/74/05/56/526740556.db2.gz WAWMHEVCPZQHJY-LLVKDONJSA-N 0 0 303.431 3.104 20 10 DGCDRN Cc1nc(CCCC(=O)NCc2ccc(N(C)C)cc2)cs1 ZINC000175048703 526807844 /nfs/dbraw/zinc/80/78/44/526807844.db2.gz TYYQKZCUPYNJJO-UHFFFAOYSA-N 0 0 317.458 3.157 20 10 DGCDRN Cn1ccc(/C=C2/SC(=S)N([C@H]3C[C@H]4CC[C@@H]3C4)C2=O)c1 ZINC000160312304 527336468 /nfs/dbraw/zinc/33/64/68/527336468.db2.gz IPYGRALARVKFOW-MGYPKDCLSA-N 0 0 318.467 3.415 20 10 DGCDRN Nc1ccc(CC(=O)N(CCc2ccc(F)cc2)C2CC2)cc1 ZINC000269225011 527474555 /nfs/dbraw/zinc/47/45/55/527474555.db2.gz QAMLKZVEWUFZPS-UHFFFAOYSA-N 0 0 312.388 3.184 20 10 DGCDRN Nc1ccc(CC(=O)N[C@H](C2CCCC2)C(F)(F)F)cc1 ZINC000238118261 527477766 /nfs/dbraw/zinc/47/77/66/527477766.db2.gz JNVBLHHTVZHDAH-CQSZACIVSA-N 0 0 300.324 3.049 20 10 DGCDRN Nc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)cc1 ZINC000228391666 527482493 /nfs/dbraw/zinc/48/24/93/527482493.db2.gz VAYTXDYJYXOGJR-CHWSQXEVSA-N 0 0 300.324 3.254 20 10 DGCDRN Nc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1 ZINC000237967032 527490174 /nfs/dbraw/zinc/49/01/74/527490174.db2.gz FHMOMEVSTKFBJA-UHFFFAOYSA-N 0 0 314.360 3.095 20 10 DGCDRN Nc1ccc(NC(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)cc1 ZINC000237990387 527493255 /nfs/dbraw/zinc/49/32/55/527493255.db2.gz DCDWYEXACMUDMK-KRWDZBQOSA-N 0 0 313.376 3.011 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H](Cc2ccccc2)C1 ZINC000180809244 527613736 /nfs/dbraw/zinc/61/37/36/527613736.db2.gz UIXYAKOEGXBMDE-UGAXZCSASA-N 0 0 323.392 3.202 20 10 DGCDRN CCNC(=O)c1ccc(N[C@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000302436798 528259976 /nfs/dbraw/zinc/25/99/76/528259976.db2.gz QPUZBIUBRMTXRA-CYBMUJFWSA-N 0 0 312.417 3.070 20 10 DGCDRN CCN(CC)c1ccc(CNc2cc(Cl)nc(N)n2)cc1F ZINC000301214794 528308286 /nfs/dbraw/zinc/30/82/86/528308286.db2.gz XSJBSBVJMQOWDK-UHFFFAOYSA-N 0 0 323.803 3.310 20 10 DGCDRN CCC1(C(=O)NCc2c(C)c3ccccc3n2C)CCOCC1 ZINC000348636327 529001325 /nfs/dbraw/zinc/00/13/25/529001325.db2.gz XLOFWNUZFYSMEH-UHFFFAOYSA-N 0 0 314.429 3.310 20 10 DGCDRN CCC1(C(=O)NCc2c(O)ccc3c2CCCC3)CCOCC1 ZINC000272379110 535249947 /nfs/dbraw/zinc/24/99/47/535249947.db2.gz VVBOPYGGSOQVAM-UHFFFAOYSA-N 0 0 317.429 3.094 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]C[C@](C)(CC)C(=O)[O-])cc1F ZINC000277991040 535686395 /nfs/dbraw/zinc/68/63/95/535686395.db2.gz NFIRERBPEBHIMZ-KRWDZBQOSA-N 0 0 310.413 3.262 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1cccc(Cl)c1[O-] ZINC000287117194 535807907 /nfs/dbraw/zinc/80/79/07/535807907.db2.gz QWHJSYSELLZPCS-SMDDNHRTSA-N 0 0 310.825 3.097 20 10 DGCDRN CC[C@H]([NH2+]CCNC(=O)OC(C)(C)C)c1ccc(F)cc1[O-] ZINC000286013621 535900848 /nfs/dbraw/zinc/90/08/48/535900848.db2.gz JJTKDRYUHSQHNP-ZDUSSCGKSA-N 0 0 312.385 3.097 20 10 DGCDRN CC[C@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccc(F)cc1[O-] ZINC000285580820 535923799 /nfs/dbraw/zinc/92/37/99/535923799.db2.gz INCZLCLZKULTMT-AWEZNQCLSA-N 0 0 318.396 3.090 20 10 DGCDRN CCc1cnc(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])s1 ZINC000273588335 536052020 /nfs/dbraw/zinc/05/20/20/536052020.db2.gz OKQRGDYPLNTJEJ-JTQLQIEISA-N 0 0 320.414 3.049 20 10 DGCDRN COc1cc(C(=O)NCc2ccccc2O)ccc1OC(C)C ZINC000299600199 536496367 /nfs/dbraw/zinc/49/63/67/536496367.db2.gz VJQPFTVCUHRNPP-UHFFFAOYSA-N 0 0 315.369 3.118 20 10 DGCDRN Cc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)cs1 ZINC000671751443 547826129 /nfs/dbraw/zinc/82/61/29/547826129.db2.gz YUAYEXOGADXPAM-UHFFFAOYSA-N 0 0 302.399 3.162 20 10 DGCDRN Oc1cc2c(cc1C[N@@H+]1CCCc3sccc3C1)OCO2 ZINC000730453901 574529705 /nfs/dbraw/zinc/52/97/05/574529705.db2.gz DSTPGPBTXVKGEC-UHFFFAOYSA-N 0 0 303.383 3.131 20 10 DGCDRN C[C@@H]1CCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000731120985 574544043 /nfs/dbraw/zinc/54/40/43/574544043.db2.gz JMFMNXRMWUAAGW-MRXNPFEDSA-N 0 0 315.461 3.474 20 10 DGCDRN O=C(NCCc1ccc(OC(F)F)cc1)C1=CC(=O)CS1 ZINC000731864546 574560532 /nfs/dbraw/zinc/56/05/32/574560532.db2.gz WHMFCRYTWQDBHE-UHFFFAOYSA-N 0 0 313.325 3.028 20 10 DGCDRN CCn1c2ccccc2nc1[C@@H](C)NC(=O)C1=CC(=O)CS1 ZINC000731873793 574560581 /nfs/dbraw/zinc/56/05/81/574560581.db2.gz USQYAIYUQDBTAI-SNVBAGLBSA-N 0 0 315.398 3.314 20 10 DGCDRN CN(CCOc1cccc(Cl)c1)C(=O)C1=CC(=O)CS1 ZINC000731865574 574560675 /nfs/dbraw/zinc/56/06/75/574560675.db2.gz NFXOLHDLLLABEB-UHFFFAOYSA-N 0 0 311.790 3.258 20 10 DGCDRN CCN(CCCNC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000731865568 574560693 /nfs/dbraw/zinc/56/06/93/574560693.db2.gz NFCRCXHKVZCAMQ-UHFFFAOYSA-N 0 0 304.415 3.100 20 10 DGCDRN CCc1ccc(C(=O)[C@@H](C)OC(=O)C2=CC(=O)CS2)cc1 ZINC000731910653 574561751 /nfs/dbraw/zinc/56/17/51/574561751.db2.gz VDIWTVNOQHKLOO-SNVBAGLBSA-N 0 0 304.367 3.444 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)Cc1ncc[nH]1 ZINC000732094161 574566296 /nfs/dbraw/zinc/56/62/96/574566296.db2.gz JAXCSMQZRIAHRP-UHFFFAOYSA-N 0 0 314.414 3.151 20 10 DGCDRN O=C(Nc1ccc(Br)cc1O)C1=CC(=O)CS1 ZINC000732271027 574569519 /nfs/dbraw/zinc/56/95/19/574569519.db2.gz NFIZUBGLAYHADE-UHFFFAOYSA-N 0 0 314.160 3.174 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C2=CC(=O)CS2)cc1F ZINC000732290086 574570913 /nfs/dbraw/zinc/57/09/13/574570913.db2.gz HWWUIWYHWYZMKY-UHFFFAOYSA-N 0 0 322.405 3.369 20 10 DGCDRN CC[C@H](C)NC(=O)c1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000732276619 574570238 /nfs/dbraw/zinc/57/02/38/574570238.db2.gz NBKGVWFBVPJIGN-JTQLQIEISA-N 0 0 318.398 3.234 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ncoc2C(C)C)c1 ZINC000732286595 574570730 /nfs/dbraw/zinc/57/07/30/574570730.db2.gz HQKJPHOLNKPUDM-SNVBAGLBSA-N 0 0 304.346 3.003 20 10 DGCDRN O=C(NC[C@@H](O)c1ccc2ccccc2c1)C1=CC(=O)CS1 ZINC000732290786 574571112 /nfs/dbraw/zinc/57/11/12/574571112.db2.gz AYPTULDOSPMILM-OAHLLOKOSA-N 0 0 313.378 3.070 20 10 DGCDRN CC(C)Oc1ccc(C(=O)COC(=O)C2=CC(=O)CS2)cc1 ZINC000732353897 574572179 /nfs/dbraw/zinc/57/21/79/574572179.db2.gz CPYDAYJUMDNGMQ-UHFFFAOYSA-N 0 0 320.366 3.281 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@]1(C)CCOC1 ZINC000733181378 574602966 /nfs/dbraw/zinc/60/29/66/574602966.db2.gz SYIRRHGUJUSJNV-QGZVFWFLSA-N 0 0 318.442 3.312 20 10 DGCDRN Cc1cc(C)c2c(N)c(C(=O)OCCCOC(C)C)sc2n1 ZINC000733418123 574620671 /nfs/dbraw/zinc/62/06/71/574620671.db2.gz JRKYBGDDBXVHFK-UHFFFAOYSA-N 0 0 322.430 3.467 20 10 DGCDRN CCc1cccc(NC(=S)NCc2cc(OC)ccc2O)c1 ZINC000733907122 574642677 /nfs/dbraw/zinc/64/26/77/574642677.db2.gz TUKXGDFNGXMYBS-UHFFFAOYSA-N 0 0 316.426 3.450 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NCCCCC(C)(C)C)c1 ZINC000734070772 574649651 /nfs/dbraw/zinc/64/96/51/574649651.db2.gz LKFYMFXEUCQURW-UHFFFAOYSA-N 0 0 308.422 3.416 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)cc1F ZINC000734404514 574659570 /nfs/dbraw/zinc/65/95/70/574659570.db2.gz IFJOOXYWMHPRJO-UHFFFAOYSA-N 0 0 300.377 3.439 20 10 DGCDRN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2C)ccc1F ZINC000734405791 574659654 /nfs/dbraw/zinc/65/96/54/574659654.db2.gz HFHAQKTWIOJMSY-UHFFFAOYSA-N 0 0 300.377 3.439 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cc2ccccc2[nH]1 ZINC000734405019 574659662 /nfs/dbraw/zinc/65/96/62/574659662.db2.gz PMXKWOUQTOLBLL-UHFFFAOYSA-N 0 0 307.397 3.472 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cc2ccccn2c1 ZINC000734407242 574659937 /nfs/dbraw/zinc/65/99/37/574659937.db2.gz JKTVZDCJPSAQNC-UHFFFAOYSA-N 0 0 307.397 3.244 20 10 DGCDRN Cc1ccc(CNC(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC000734516534 574664306 /nfs/dbraw/zinc/66/43/06/574664306.db2.gz BQGHPVHNKIPZRP-UHFFFAOYSA-N 0 0 311.429 3.369 20 10 DGCDRN [O-]c1c(F)cccc1C[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC001659216029 1196360363 /nfs/dbraw/zinc/36/03/63/1196360363.db2.gz ZZKBGGWLXQWKCP-UHFFFAOYSA-N 0 0 313.731 3.492 20 10 DGCDRN CC(C)[N@H+](Cc1cc(C(=O)[O-])co1)Cc1ccc(N(C)C)cc1 ZINC000736470866 574754534 /nfs/dbraw/zinc/75/45/34/574754534.db2.gz BAQCZUMXDNBCHA-UHFFFAOYSA-N 0 0 316.401 3.454 20 10 DGCDRN C[C@@H](C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C1CC1)C(=O)[O-] ZINC000736584030 574759976 /nfs/dbraw/zinc/75/99/76/574759976.db2.gz OLJWDYYOYFUGRZ-NSHDSACASA-N 0 0 321.417 3.080 20 10 DGCDRN C[N@H+](Cc1ccccc1O)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737493654 574848331 /nfs/dbraw/zinc/84/83/31/574848331.db2.gz HEZQYDCNWSTRSR-HNNXBMFYSA-N 0 0 305.761 3.303 20 10 DGCDRN O=C([O-])[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(Cl)c1 ZINC000739498682 574905133 /nfs/dbraw/zinc/90/51/33/574905133.db2.gz COGXTZCMMVEOPB-MRXNPFEDSA-N 0 0 317.772 3.190 20 10 DGCDRN Oc1cc2c(cc1CN1CCc3c(Cl)cccc3C1)OCO2 ZINC000739864221 574914092 /nfs/dbraw/zinc/91/40/92/574914092.db2.gz ZNVXUJBDTRBWQO-UHFFFAOYSA-N 0 0 317.772 3.333 20 10 DGCDRN CCOc1ccc(N(C)Cc2nnc3n2CCCCC3)cc1 ZINC000739922583 574915927 /nfs/dbraw/zinc/91/59/27/574915927.db2.gz MXJMPTRTJQMJEL-UHFFFAOYSA-N 0 0 300.406 3.040 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000739922931 574915957 /nfs/dbraw/zinc/91/59/57/574915957.db2.gz RSVZDVCWKJKEEH-HUUCEWRRSA-N 0 0 304.434 3.026 20 10 DGCDRN O=C(Cc1c[nH]c2ccc(Cl)cc12)NCc1ccccc1O ZINC000740084334 574922614 /nfs/dbraw/zinc/92/26/14/574922614.db2.gz VZFFQQSBLNZGNW-UHFFFAOYSA-N 0 0 314.772 3.386 20 10 DGCDRN CSc1ccc(O[C@@H](C)C(=O)NCc2ccccc2O)cc1 ZINC000740925267 574945881 /nfs/dbraw/zinc/94/58/81/574945881.db2.gz LQVIKNXFTFKMHV-LBPRGKRZSA-N 0 0 317.410 3.198 20 10 DGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccncc1F ZINC000741212425 574953858 /nfs/dbraw/zinc/95/38/58/574953858.db2.gz ONYAPUJZHCDNIP-UHFFFAOYSA-N 0 0 313.376 3.141 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cnccc2C)cc1F ZINC000742071889 574980531 /nfs/dbraw/zinc/98/05/31/574980531.db2.gz VAKPZFFEIRPSLR-UHFFFAOYSA-N 0 0 315.392 3.305 20 10 DGCDRN C[N@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])C1CCC1 ZINC000742172841 574983813 /nfs/dbraw/zinc/98/38/13/574983813.db2.gz HEAVRZLRYMSWHQ-UHFFFAOYSA-N 0 0 311.381 3.313 20 10 DGCDRN Cc1ccoc1/C=C1/SC(=S)N(c2cccnc2)C1=O ZINC000742346825 574991215 /nfs/dbraw/zinc/99/12/15/574991215.db2.gz PXQIJUDFVREUJH-KPKJPENVSA-N 0 0 302.380 3.389 20 10 DGCDRN CC(C)CO[C@H](C)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000742468584 575001733 /nfs/dbraw/zinc/00/17/33/575001733.db2.gz MEWRONHMPIPDCM-MRXNPFEDSA-N 0 0 318.461 3.354 20 10 DGCDRN CCCCO[C@@H](C)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000742468900 575001792 /nfs/dbraw/zinc/00/17/92/575001792.db2.gz SFOXVCRTJYRYED-INIZCTEOSA-N 0 0 318.461 3.498 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1cc(C(C)C)on1 ZINC000743222328 575039683 /nfs/dbraw/zinc/03/96/83/575039683.db2.gz YCAZERYLFUTCGY-UHFFFAOYSA-N 0 0 316.405 3.494 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCCS2)cc1 ZINC000743290214 575042214 /nfs/dbraw/zinc/04/22/14/575042214.db2.gz DOZSJOCELBMJJV-INIZCTEOSA-N 0 0 306.475 3.387 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CC[C@H]1CC[C@@H](C)O1 ZINC000743415570 575050012 /nfs/dbraw/zinc/05/00/12/575050012.db2.gz GHVXUIPWQCIRPW-RHSMWYFYSA-N 0 0 304.434 3.025 20 10 DGCDRN CC1(C)C[C@@H]1CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743608366 575058275 /nfs/dbraw/zinc/05/82/75/575058275.db2.gz ZZXXAFPHHQTHJF-CYBMUJFWSA-N 0 0 302.418 3.116 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@@]2(C)c2ccccc2)cc1 ZINC000743642508 575059895 /nfs/dbraw/zinc/05/98/95/575059895.db2.gz SOIUZORFOIMANP-QUCCMNQESA-N 0 0 323.440 3.282 20 10 DGCDRN COC(=O)C(C)(C)c1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000743642683 575059959 /nfs/dbraw/zinc/05/99/59/575059959.db2.gz VBMXHDCLJDVTHE-UHFFFAOYSA-N 0 0 319.382 3.157 20 10 DGCDRN CO[C@H](CNC(=O)C1=CC(=O)CS1)c1ccc(Cl)cc1 ZINC000743678560 575060498 /nfs/dbraw/zinc/06/04/98/575060498.db2.gz LZIISGLEGDDGSK-GFCCVEGCSA-N 0 0 311.790 3.225 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000743718366 575062180 /nfs/dbraw/zinc/06/21/80/575062180.db2.gz NMJUSGDMZLQUKV-CQSZACIVSA-N 0 0 317.410 3.133 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(Cl)cn1 ZINC000743718565 575062229 /nfs/dbraw/zinc/06/22/29/575062229.db2.gz FWUVUXXCZVWVLE-UHFFFAOYSA-N 0 0 316.788 3.249 20 10 DGCDRN CC[C@@](C)(O)CNC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC000743759189 575062801 /nfs/dbraw/zinc/06/28/01/575062801.db2.gz QDMITCNMJDFVQD-LJQANCHMSA-N 0 0 314.429 3.293 20 10 DGCDRN Cc1cc(C(=O)Cn2nnnc2C(C)C)c(C)n1-c1ccccc1 ZINC000743822855 575064351 /nfs/dbraw/zinc/06/43/51/575064351.db2.gz XFWGYXBOSPPOMC-UHFFFAOYSA-N 0 0 323.400 3.087 20 10 DGCDRN Cc1ccc(N(C)C(=O)c2cn(C)nc2-c2cccnc2)cc1C ZINC000743869774 575066795 /nfs/dbraw/zinc/06/67/95/575066795.db2.gz YFWNUTNPWMMHBL-UHFFFAOYSA-N 0 0 320.396 3.376 20 10 DGCDRN CCCN(Cc1ccccc1O)Cc1nc2ccccc2c(=O)[nH]1 ZINC000728927326 575195530 /nfs/dbraw/zinc/19/55/30/575195530.db2.gz RKOFPECDRBOLDE-UHFFFAOYSA-N 0 0 323.396 3.453 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C(C)=O)s2)c1 ZINC000728979007 575198910 /nfs/dbraw/zinc/19/89/10/575198910.db2.gz AZZUOHTUULOVQX-SECBINFHSA-N 0 0 319.382 3.156 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)CSc2ccccc2)c1 ZINC000728980986 575199099 /nfs/dbraw/zinc/19/90/99/575199099.db2.gz RKTZRKAJIQTRDY-GFCCVEGCSA-N 0 0 317.410 3.370 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2nccc3ccccc32)c1 ZINC000728982170 575199365 /nfs/dbraw/zinc/19/93/65/575199365.db2.gz JGZADIDYEAOCFS-LBPRGKRZSA-N 0 0 322.364 3.440 20 10 DGCDRN CN(c1ccc(CNC(=O)c2cocn2)cc1)C1CCCCC1 ZINC000729346305 575237499 /nfs/dbraw/zinc/23/74/99/575237499.db2.gz OZEMFSNXKWZHHF-UHFFFAOYSA-N 0 0 313.401 3.374 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cnc(C3CC3)s2)cc1F ZINC000729349508 575237767 /nfs/dbraw/zinc/23/77/67/575237767.db2.gz GYQVRKBCPXQFCI-UHFFFAOYSA-N 0 0 319.405 3.156 20 10 DGCDRN CCC(CC)[C@H](CC[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])OC ZINC000746759586 575289946 /nfs/dbraw/zinc/28/99/46/575289946.db2.gz CXVQPMAFHLMYFD-INIZCTEOSA-N 0 0 310.394 3.231 20 10 DGCDRN CCN(CC(=O)N1[C@@H](C)CCC[C@@H]1C)c1ccc(OC)cc1 ZINC000744391650 575339429 /nfs/dbraw/zinc/33/94/29/575339429.db2.gz DINQSBWTBPRPHK-GJZGRUSLSA-N 0 0 304.434 3.311 20 10 DGCDRN Cc1cc(O)c(CN2C[C@H](C)O[C@H](C(F)(F)F)C2)cc1C ZINC000744442041 575342871 /nfs/dbraw/zinc/34/28/71/575342871.db2.gz DDQKJZDCSDZIMI-FZMZJTMJSA-N 0 0 303.324 3.161 20 10 DGCDRN CCSCCOC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000744575806 575349088 /nfs/dbraw/zinc/34/90/88/575349088.db2.gz BTMZTHVNUKEJMW-UHFFFAOYSA-N 0 0 310.444 3.405 20 10 DGCDRN CSCCCOC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000744575812 575349120 /nfs/dbraw/zinc/34/91/20/575349120.db2.gz CBUHYHCFNHMDTR-UHFFFAOYSA-N 0 0 310.444 3.405 20 10 DGCDRN O=C(/C=C\c1cccnc1)N1CCN(CC2CC2)c2ccccc21 ZINC000744753070 575354804 /nfs/dbraw/zinc/35/48/04/575354804.db2.gz FRTNNOVDNYIZQL-KTKRTIGZSA-N 0 0 319.408 3.358 20 10 DGCDRN CC[C@@H]1C[C@H](C)CN1c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000745975220 575425831 /nfs/dbraw/zinc/42/58/31/575425831.db2.gz FUNPXOASAJNQBQ-SKVWCYETSA-N 0 0 318.373 3.406 20 10 DGCDRN COc1cccc(F)c1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000746016173 575427613 /nfs/dbraw/zinc/42/76/13/575427613.db2.gz RVZHKCAORUOZGI-UHFFFAOYSA-N 0 0 316.376 3.173 20 10 DGCDRN CCN(Cc1cc(=O)n2cc(C)ccc2n1)c1ccc(OC)cc1 ZINC000746109098 575433245 /nfs/dbraw/zinc/43/32/45/575433245.db2.gz JRILCQHVEDWDMP-UHFFFAOYSA-N 0 0 323.396 3.038 20 10 DGCDRN CCN(C[C@H](O)COc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000746108751 575433266 /nfs/dbraw/zinc/43/32/66/575433266.db2.gz ANQRWTILXYILTG-INIZCTEOSA-N 0 0 319.376 3.101 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1CCC(=O)CC1 ZINC000746145722 575435663 /nfs/dbraw/zinc/43/56/63/575435663.db2.gz ZBLNKXWMIHHOBN-UHFFFAOYSA-N 0 0 316.445 3.249 20 10 DGCDRN COc1ccc(N(Cc2cn3cccnc3n2)CC(C)C)cc1 ZINC000746170082 575437446 /nfs/dbraw/zinc/43/74/46/575437446.db2.gz MLJRQLRWHDMHRZ-UHFFFAOYSA-N 0 0 310.401 3.401 20 10 DGCDRN COc1ccc(N(CC(=O)Nc2nccs2)CC(C)C)cc1 ZINC000746170913 575437743 /nfs/dbraw/zinc/43/77/43/575437743.db2.gz YIOFJTIZQQPMAM-UHFFFAOYSA-N 0 0 319.430 3.253 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)C(C)(C)O)c(C)n1-c1ccc(F)cc1 ZINC000746337218 575447702 /nfs/dbraw/zinc/44/77/02/575447702.db2.gz PIRSZRZRDGJEIF-ZDUSSCGKSA-N 0 0 318.392 3.122 20 10 DGCDRN CSCc1cc(C(=O)NCc2ccccc2O)ccc1F ZINC000746688882 575470277 /nfs/dbraw/zinc/47/02/77/575470277.db2.gz KIXCHWKISHMMLE-UHFFFAOYSA-N 0 0 305.374 3.324 20 10 DGCDRN CC(=O)c1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)s1 ZINC000746799046 575475510 /nfs/dbraw/zinc/47/55/10/575475510.db2.gz YHDOHXYFLGAEIM-UHFFFAOYSA-N 0 0 320.389 3.086 20 10 DGCDRN Cc1ccccc1CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000746811870 575476053 /nfs/dbraw/zinc/47/60/53/575476053.db2.gz PPWVHHDITWUKKB-UHFFFAOYSA-N 0 0 308.425 3.236 20 10 DGCDRN CN1CCCc2cc([C@H]3Nc4cc(F)ccc4C(=O)N3)ccc21 ZINC000748095288 575561346 /nfs/dbraw/zinc/56/13/46/575561346.db2.gz AAGKGQSUMKFJPQ-KRWDZBQOSA-N 0 0 311.360 3.062 20 10 DGCDRN O=C(NCc1ccccc1O)c1occc1COc1ccccc1 ZINC000748349972 575582458 /nfs/dbraw/zinc/58/24/58/575582458.db2.gz OCEMVEKGTVALKH-UHFFFAOYSA-N 0 0 323.348 3.494 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1ccccc1OC(F)F ZINC000748437859 575586477 /nfs/dbraw/zinc/58/64/77/575586477.db2.gz APRTYWIRUPHBBT-UHFFFAOYSA-N 0 0 308.284 3.315 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@H](c1cccs1)C1CC1 ZINC000748462227 575588709 /nfs/dbraw/zinc/58/87/09/575588709.db2.gz CEGDXPWVSDINKD-HNNXBMFYSA-N 0 0 302.399 3.404 20 10 DGCDRN CN(C(=O)COc1ccc(N2CCCC2)cc1)C1CCCCC1 ZINC000749796474 575678978 /nfs/dbraw/zinc/67/89/78/575678978.db2.gz UFGJDFJLOCGZNB-UHFFFAOYSA-N 0 0 316.445 3.457 20 10 DGCDRN Cc1[nH]ccc1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000750241796 575713644 /nfs/dbraw/zinc/71/36/44/575713644.db2.gz LSSJXKKTDNSZMF-UHFFFAOYSA-N 0 0 310.353 3.464 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCCC1(C)C ZINC000750298001 575717254 /nfs/dbraw/zinc/71/72/54/575717254.db2.gz VGVVGZUXJCLMSO-MRXNPFEDSA-N 0 0 303.450 3.439 20 10 DGCDRN COc1cccc(/C(C)=C\C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000751220498 575776061 /nfs/dbraw/zinc/77/60/61/575776061.db2.gz YSCQEIJUCKCRTQ-QINSGFPZSA-N 0 0 324.424 3.481 20 10 DGCDRN CCC1(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CCC1 ZINC000751246391 575777111 /nfs/dbraw/zinc/77/71/11/575777111.db2.gz OZOYPSOHIVIMOG-HNNXBMFYSA-N 0 0 316.445 3.281 20 10 DGCDRN O=C(/C=C/C1CC1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000751302182 575779426 /nfs/dbraw/zinc/77/94/26/575779426.db2.gz KOVLEOVMEVDVBH-MDZDMXLPSA-N 0 0 304.353 3.301 20 10 DGCDRN CC(C)=C(C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000751362336 575781394 /nfs/dbraw/zinc/78/13/94/575781394.db2.gz SXSOEUBXRVMQOL-OAHLLOKOSA-N 0 0 302.418 3.057 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccc(Br)cc2)c(O)c1O ZINC000751533842 575789520 /nfs/dbraw/zinc/78/95/20/575789520.db2.gz SPQGFKPIMFHPGE-UHFFFAOYSA-N 0 0 322.158 3.421 20 10 DGCDRN COc1cccc(OCCN(C)c2ccc(OC)c(OC)c2)c1 ZINC000751965126 575815106 /nfs/dbraw/zinc/81/51/06/575815106.db2.gz JKPQBSPBGZCIEU-UHFFFAOYSA-N 0 0 317.385 3.228 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C)[C@H]2C)cc1 ZINC000752004358 575817545 /nfs/dbraw/zinc/81/75/45/575817545.db2.gz GGCJCDVSXGISNH-HUUCEWRRSA-N 0 0 303.450 3.473 20 10 DGCDRN Cc1cc(CCNC(=O)NCC(F)F)c(C)n1-c1ccccc1 ZINC000752021028 575818323 /nfs/dbraw/zinc/81/83/23/575818323.db2.gz ZGEJZLRJOZZCHE-UHFFFAOYSA-N 0 0 321.371 3.201 20 10 DGCDRN CCC1(CNC(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000752028734 575818653 /nfs/dbraw/zinc/81/86/53/575818653.db2.gz ITUXSEDSSFHQBS-UHFFFAOYSA-N 0 0 301.434 3.058 20 10 DGCDRN CC1(CNC(=O)NCc2c(O)ccc3c2CCCC3)CCC1 ZINC000752024854 575818772 /nfs/dbraw/zinc/81/87/72/575818772.db2.gz LKMPIYJHYUKQSA-UHFFFAOYSA-N 0 0 302.418 3.260 20 10 DGCDRN Cc1cc([C@@H](C)NC(=O)NCc2ccccc2O)ccc1F ZINC000752036454 575819011 /nfs/dbraw/zinc/81/90/11/575819011.db2.gz VDFHHCZNIPRZEY-GFCCVEGCSA-N 0 0 302.349 3.400 20 10 DGCDRN CC1=C(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CCC1 ZINC000752150444 575824976 /nfs/dbraw/zinc/82/49/76/575824976.db2.gz ARLBXURGVZVCNX-INIZCTEOSA-N 0 0 315.413 3.400 20 10 DGCDRN CCC/C=C/C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000752151507 575824999 /nfs/dbraw/zinc/82/49/99/575824999.db2.gz JCYFEULXWFXJBE-TUJADDFYSA-N 0 0 303.402 3.256 20 10 DGCDRN CCOC(=O)[C@@H](C)OC(=O)c1sccc1-n1c(C)ccc1C ZINC000725928287 575967518 /nfs/dbraw/zinc/96/75/18/575967518.db2.gz VLJKJEJINXSGNF-GFCCVEGCSA-N 0 0 321.398 3.264 20 10 DGCDRN COc1ccc(NC(=S)NNc2ccc(F)cc2)cc1F ZINC000726433928 576022157 /nfs/dbraw/zinc/02/21/57/576022157.db2.gz BPPHJORENMGNQV-UHFFFAOYSA-N 0 0 309.341 3.287 20 10 DGCDRN COc1ccc(OC)c(NC(=S)NNc2ccccc2F)c1 ZINC000726450227 576023473 /nfs/dbraw/zinc/02/34/73/576023473.db2.gz NKEDONMBKSSLBU-UHFFFAOYSA-N 0 0 321.377 3.156 20 10 DGCDRN CCCCCNC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000726612007 576032885 /nfs/dbraw/zinc/03/28/85/576032885.db2.gz ZYXRJMZMGDYPML-UHFFFAOYSA-N 0 0 319.449 3.153 20 10 DGCDRN CCC(CC)NC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000726610489 576033155 /nfs/dbraw/zinc/03/31/55/576033155.db2.gz KAUODXDAWHGSEM-UHFFFAOYSA-N 0 0 319.449 3.152 20 10 DGCDRN CC1(C(=O)NCc2ccc(N3CCCCC3)cc2)CCOCC1 ZINC000726770423 576041751 /nfs/dbraw/zinc/04/17/51/576041751.db2.gz VPEYOIUEPHLFDF-UHFFFAOYSA-N 0 0 316.445 3.110 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2n[nH]cc2c1 ZINC000726867252 576045469 /nfs/dbraw/zinc/04/54/69/576045469.db2.gz DMVGSSIFBHAZSZ-UHFFFAOYSA-N 0 0 322.412 3.291 20 10 DGCDRN CC[C@H](C)NC(=S)NCc1ccc(N2CCSCC2)cc1 ZINC000749768624 576102710 /nfs/dbraw/zinc/10/27/10/576102710.db2.gz ZDMWBTFMJMJZGU-ZDUSSCGKSA-N 0 0 323.531 3.002 20 10 DGCDRN COc1ccc2cc(NC(=O)NCc3ccccc3O)ccc2n1 ZINC000727595567 576133024 /nfs/dbraw/zinc/13/30/24/576133024.db2.gz HQCFADCUYHSAEG-UHFFFAOYSA-N 0 0 323.352 3.271 20 10 DGCDRN CCn1c2ccc(F)cc2nc1/C(Cl)=C\c1cnnn1C ZINC000751031546 576175032 /nfs/dbraw/zinc/17/50/32/576175032.db2.gz JNCKXBAXOVHEPI-YRNVUSSQSA-N 0 0 305.744 3.061 20 10 DGCDRN CC(C)(C)c1ccccc1S(=O)(=O)NCc1ccccc1O ZINC000751149005 576179670 /nfs/dbraw/zinc/17/96/70/576179670.db2.gz HZIGVVORGCSBKC-UHFFFAOYSA-N 0 0 319.426 3.168 20 10 DGCDRN CCOC(=O)COC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000916584206 620637823 /nfs/dbraw/zinc/63/78/23/620637823.db2.gz FOFBNRZUKJAALW-UHFFFAOYSA-N 0 0 315.369 3.122 20 10 DGCDRN COC[C@](C)(NCc1ccc(N(C)C)c(C)c1)C(F)(F)F ZINC000852717783 620642713 /nfs/dbraw/zinc/64/27/13/620642713.db2.gz JPOYOCRYGXCYQG-AWEZNQCLSA-N 0 0 304.356 3.118 20 10 DGCDRN C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)[C@H](C)C1 ZINC000154287913 620657222 /nfs/dbraw/zinc/65/72/22/620657222.db2.gz ZATHBYWULPBKBS-CHWSQXEVSA-N 0 0 307.413 3.222 20 10 DGCDRN CC(C)c1cccc(/C=C2\SC(N3CCOCC3)=NC2=O)c1 ZINC000853001904 620658987 /nfs/dbraw/zinc/65/89/87/620658987.db2.gz CKDGRWMDKHMEFF-PTNGSMBKSA-N 0 0 316.426 3.113 20 10 DGCDRN CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cccc(O)c1O ZINC000917500226 620670855 /nfs/dbraw/zinc/67/08/55/620670855.db2.gz YXFGBODMWBRLTF-HNNXBMFYSA-N 0 0 318.760 3.338 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cc1[O-] ZINC000853241017 620681455 /nfs/dbraw/zinc/68/14/55/620681455.db2.gz RRVLWYWWCOLOOO-HIFRSBDPSA-N 0 0 306.425 3.304 20 10 DGCDRN C[C@H](NC(=O)Nc1ccc(N)cc1)c1ccc2c(c1)CCCO2 ZINC000853321961 620686360 /nfs/dbraw/zinc/68/63/60/620686360.db2.gz WJGRRKKZZILQFZ-LBPRGKRZSA-N 0 0 311.385 3.477 20 10 DGCDRN CSC(C)(C)CNC(=O)NCCCSc1nccs1 ZINC000154555353 620686962 /nfs/dbraw/zinc/68/69/62/620686962.db2.gz NBQIBZPUNBVQPM-UHFFFAOYSA-N 0 0 319.521 3.066 20 10 DGCDRN CCOc1cccc(C[N@H+](CCN(C)C)C2CCCC2)c1O ZINC000154617556 620693697 /nfs/dbraw/zinc/69/36/97/620693697.db2.gz VEPNBCHGWVLNMY-UHFFFAOYSA-N 0 0 306.450 3.097 20 10 DGCDRN CC(C)OCc1noc(CSc2ncc(Cl)s2)n1 ZINC000918087876 620695861 /nfs/dbraw/zinc/69/58/61/620695861.db2.gz OVFBZRBWYBCLSF-UHFFFAOYSA-N 0 0 305.812 3.397 20 10 DGCDRN OCc1ccc(CN(Cc2ccco2)Cc2ccccc2O)o1 ZINC000154726283 620707588 /nfs/dbraw/zinc/70/75/88/620707588.db2.gz WNKRACHUCJTMIX-UHFFFAOYSA-N 0 0 313.353 3.273 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cc(C)n(C)c2C)cc1 ZINC000918623933 620716810 /nfs/dbraw/zinc/71/68/10/620716810.db2.gz HVJUFKMZJUWROM-UHFFFAOYSA-N 0 0 313.445 3.418 20 10 DGCDRN CN(C)c1ccc(OC[C@H]2CCN(C(=O)c3ccccc3)C2)cc1 ZINC000853693155 620725371 /nfs/dbraw/zinc/72/53/71/620725371.db2.gz OLBNSPCPPCMVHL-INIZCTEOSA-N 0 0 324.424 3.294 20 10 DGCDRN COc1ccc(N2CC[C@H](Nc3nc4ccccc4n3C)C2)cc1 ZINC000853758858 620734400 /nfs/dbraw/zinc/73/44/00/620734400.db2.gz LKJGRHJOXLUAEX-AWEZNQCLSA-N 0 0 322.412 3.273 20 10 DGCDRN COc1ccc(N2CC[C@@H](Nc3nc(C(C)C)ns3)C2)cc1 ZINC000853759094 620734462 /nfs/dbraw/zinc/73/44/62/620734462.db2.gz PAXOVRWHTRUXGE-GFCCVEGCSA-N 0 0 318.446 3.361 20 10 DGCDRN COc1ccc(N2CC[C@@H](Nc3ccnc(Cl)c3)C2)cc1 ZINC000853758376 620734366 /nfs/dbraw/zinc/73/43/66/620734366.db2.gz DEMDBEBXOALVGB-CYBMUJFWSA-N 0 0 303.793 3.434 20 10 DGCDRN Cc1ncsc1/C=C/C(=O)N1CC2(CC2)Oc2ccccc21 ZINC000890617971 617626268 /nfs/dbraw/zinc/62/62/68/617626268.db2.gz WTDTXJVYDCNKOH-VOTSOKGWSA-N 0 0 312.394 3.423 20 10 DGCDRN C[C@@H](CC(=O)NCc1c(O)ccc2c1CCCC2)c1ccncc1 ZINC000154928227 620740094 /nfs/dbraw/zinc/74/00/94/620740094.db2.gz YHZMCRWKLSIKFN-AWEZNQCLSA-N 0 0 324.424 3.476 20 10 DGCDRN CC(C)C[C@@H](C(=O)NCc1cccc(Cl)c1O)n1ccnc1 ZINC000890760839 617656927 /nfs/dbraw/zinc/65/69/27/617656927.db2.gz APOCFSNIGHOZPX-AWEZNQCLSA-N 0 0 321.808 3.146 20 10 DGCDRN C[C@H]1CCC[C@@H](OCC(=O)NCc2cccc(Cl)c2O)C1 ZINC000890760553 617657009 /nfs/dbraw/zinc/65/70/09/617657009.db2.gz SXMJHTNPLMYZPH-WCQYABFASA-N 0 0 311.809 3.257 20 10 DGCDRN C[C@H](CC(=O)NCc1cccc(Cl)c1O)c1ccncc1 ZINC000890760260 617657020 /nfs/dbraw/zinc/65/70/20/617657020.db2.gz MIKZZNQZNQWORG-LLVKDONJSA-N 0 0 304.777 3.251 20 10 DGCDRN CC1(/C=C/C(=O)NCc2cccc(Cl)c2O)CCOCC1 ZINC000890760931 617657032 /nfs/dbraw/zinc/65/70/32/617657032.db2.gz FCWFFVFVTKAMKK-AATRIKPKSA-N 0 0 309.793 3.035 20 10 DGCDRN CC(=O)[C@@H](C)CCCCC(=O)NCc1cccc(Cl)c1O ZINC000890760510 617657136 /nfs/dbraw/zinc/65/71/36/617657136.db2.gz RPVPDZGEEFALNO-NSHDSACASA-N 0 0 311.809 3.447 20 10 DGCDRN C[C@H]1CCCC[C@H]1OCC(=O)NCc1cccc(Cl)c1O ZINC000890760588 617657254 /nfs/dbraw/zinc/65/72/54/617657254.db2.gz UHXYNRHSPYHXGA-SMDDNHRTSA-N 0 0 311.809 3.257 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1cnc(CC2CC2)s1 ZINC000890763161 617658484 /nfs/dbraw/zinc/65/84/84/617658484.db2.gz PJQNEULVNSLSEJ-UHFFFAOYSA-N 0 0 322.817 3.385 20 10 DGCDRN C=C/C(C)=C\CC(=O)NCc1cc(Br)ccc1O ZINC000804733322 617661362 /nfs/dbraw/zinc/66/13/62/617661362.db2.gz OJOHWVCEMWGOOY-WMZJFQQLSA-N 0 0 310.191 3.293 20 10 DGCDRN C[C@@H](C(=O)NCc1cc(Br)ccc1O)C(C)(C)C ZINC000804734044 617662174 /nfs/dbraw/zinc/66/21/74/617662174.db2.gz AMXWCBSFATUSPV-VIFPVBQESA-N 0 0 314.223 3.453 20 10 DGCDRN Cc1ccc(NC(=S)NNc2ccccc2[N+](=O)[O-])cc1F ZINC000007351009 617669261 /nfs/dbraw/zinc/66/92/61/617669261.db2.gz YGIKMYDMHHKIDT-UHFFFAOYSA-N 0 0 320.349 3.356 20 10 DGCDRN OC1CCN(c2ccc(CNc3nc4ccccc4[nH]3)cc2)CC1 ZINC000853956142 620756792 /nfs/dbraw/zinc/75/67/92/620756792.db2.gz RTGSDWJACYLOEQ-UHFFFAOYSA-N 0 0 322.412 3.136 20 10 DGCDRN COc1ccc(CN2CCC[C@@H]2c2cc(C)on2)c(O)c1OC ZINC000891648031 617860552 /nfs/dbraw/zinc/86/05/52/617860552.db2.gz IXFBKVQSQAJQAJ-CQSZACIVSA-N 0 0 318.373 3.043 20 10 DGCDRN C[C@@H](O)c1cccc(N2CC=C(c3c[nH]c4ncccc34)CC2)n1 ZINC000891661623 617862582 /nfs/dbraw/zinc/86/25/82/617862582.db2.gz HPZDIXBXDPFJSQ-CYBMUJFWSA-N 0 0 320.396 3.305 20 10 DGCDRN CN(CCC1CC1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000121270759 617941687 /nfs/dbraw/zinc/94/16/87/617941687.db2.gz VZUVHDJLAYKXEY-UHFFFAOYSA-N 0 0 301.434 3.011 20 10 DGCDRN CCOc1ccc(N(C)C(=O)/C=C/c2cncc(F)c2)cc1 ZINC000155125889 620771107 /nfs/dbraw/zinc/77/11/07/620771107.db2.gz YXDUNENPXKVXMZ-RUDMXATFSA-N 0 0 300.333 3.296 20 10 DGCDRN CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000782543220 618108601 /nfs/dbraw/zinc/10/86/01/618108601.db2.gz FYIHHZZHPATYEW-NSHDSACASA-N 0 0 306.284 3.367 20 10 DGCDRN CCOCc1nc(C)cc(NCc2ccc(N(C)C)cc2C)n1 ZINC000892564950 618109129 /nfs/dbraw/zinc/10/91/29/618109129.db2.gz ZLMIYJPHBRRADY-UHFFFAOYSA-N 0 0 314.433 3.308 20 10 DGCDRN CC(C)(C)c1ccnc(SCC(=O)c2ccc(O)c(O)c2)n1 ZINC000920057162 620779283 /nfs/dbraw/zinc/77/92/83/620779283.db2.gz FPNWGJDEUFJKGN-UHFFFAOYSA-N 0 0 318.398 3.160 20 10 DGCDRN Cc1cc(Cl)cc(C[NH+]2CCC(CCC(=O)[O-])CC2)c1O ZINC000854241210 620786864 /nfs/dbraw/zinc/78/68/64/620786864.db2.gz IFJZLAPGLITXHE-UHFFFAOYSA-N 0 0 311.809 3.431 20 10 DGCDRN CC[C@@H](C)N(CC)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854295791 620792135 /nfs/dbraw/zinc/79/21/35/620792135.db2.gz CEVPMVACNGYJKK-CABCVRRESA-N 0 0 319.449 3.104 20 10 DGCDRN COc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1C ZINC000018150699 618308309 /nfs/dbraw/zinc/30/83/09/618308309.db2.gz SFYRWMCFELRXEP-UHFFFAOYSA-N 0 0 312.413 3.342 20 10 DGCDRN CCOc1cccc(C[NH2+]C[C@H](CC(=O)[O-])CC(C)C)c1O ZINC000854244106 620787849 /nfs/dbraw/zinc/78/78/49/620787849.db2.gz PSBUYJKELSUKQY-ZDUSSCGKSA-N 0 0 309.406 3.018 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H]1CCCCO1 ZINC000920348839 620795741 /nfs/dbraw/zinc/79/57/41/620795741.db2.gz SNKYYOBUOFJLML-CQSZACIVSA-N 0 0 318.442 3.455 20 10 DGCDRN COc1cc(CN(C)Cc2ncc[nH]2)c(O)c(C(C)(C)C)c1 ZINC000894586946 618395723 /nfs/dbraw/zinc/39/57/23/618395723.db2.gz NTCLBKYIBDLFLG-UHFFFAOYSA-N 0 0 303.406 3.053 20 10 DGCDRN COc1ccc(CNc2cncc(Cl)c2C)c(O)c1OC ZINC000894658957 618419193 /nfs/dbraw/zinc/41/91/93/618419193.db2.gz QZONDNGFMPZKET-UHFFFAOYSA-N 0 0 308.765 3.378 20 10 DGCDRN COc1cc(C)cc(CNc2ccc(OCCCO)cc2)c1O ZINC000894755029 618446512 /nfs/dbraw/zinc/44/65/12/618446512.db2.gz LNHBGXISEMPXKW-UHFFFAOYSA-N 0 0 317.385 3.083 20 10 DGCDRN COc1ccc(CNc2cnn(CC(C)C)c2C)c(O)c1OC ZINC000893294716 618499863 /nfs/dbraw/zinc/49/98/63/618499863.db2.gz JJKNENXFUSPIDU-UHFFFAOYSA-N 0 0 319.405 3.182 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000895327391 618596101 /nfs/dbraw/zinc/59/61/01/618596101.db2.gz NCZKDWLJTXNHNN-UHFFFAOYSA-N 0 0 309.356 3.061 20 10 DGCDRN CCN1C(=O)/C(=C\c2cn3cc(Cl)ccc3n2)SC1=S ZINC000920754835 620821217 /nfs/dbraw/zinc/82/12/17/620821217.db2.gz DSWZWIJIACQBHE-BJMVGYQFSA-N 0 0 323.830 3.209 20 10 DGCDRN C[C@@H]1CC=CC[C@H]1NC(=O)NCCCSc1nccs1 ZINC000893645892 618629502 /nfs/dbraw/zinc/62/95/02/618629502.db2.gz NXAZIYGREUCNIQ-VXGBXAGGSA-N 0 0 311.476 3.279 20 10 DGCDRN C[C@@H]([NH2+]C[C@@]1(C(F)(F)F)CCCN1)c1cc(F)cc(F)c1[O-] ZINC000925856008 618646921 /nfs/dbraw/zinc/64/69/21/618646921.db2.gz PUKKWDVVNCSFOR-AMIZOPFISA-N 0 0 324.293 3.006 20 10 DGCDRN CN(C)c1ccc(/C=C/CNCc2nnc(C3CC3)s2)cc1 ZINC000840973531 618649126 /nfs/dbraw/zinc/64/91/26/618649126.db2.gz OJIZLWBVMRTLTG-ONEGZZNKSA-N 0 0 314.458 3.285 20 10 DGCDRN CC(C)[N@H+](CCO)Cc1cc(Cl)cc(Br)c1[O-] ZINC000893897412 618674469 /nfs/dbraw/zinc/67/44/69/618674469.db2.gz ZQVFQRSECCAWOI-UHFFFAOYSA-N 0 0 322.630 3.011 20 10 DGCDRN COc1ccc(OC)c(NCc2cc(C)cc(OC)c2O)c1 ZINC000894116277 618713894 /nfs/dbraw/zinc/71/38/94/618713894.db2.gz RBCBPWIMGNSNRS-UHFFFAOYSA-N 0 0 303.358 3.339 20 10 DGCDRN COc1cc(C)cc(CNc2cccc(C[S@@](C)=O)c2)c1O ZINC000894130130 618717045 /nfs/dbraw/zinc/71/70/45/618717045.db2.gz AESCCFVUGWAPNX-JOCHJYFZSA-N 0 0 319.426 3.200 20 10 DGCDRN Cc1cccc(CN=[S@@](C)(=O)c2ccc(N(C)C)cc2)c1O ZINC000895734674 618826075 /nfs/dbraw/zinc/82/60/75/618826075.db2.gz PNBUBDHNTXLKNG-QFIPXVFZSA-N 0 0 318.442 3.424 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCOC2(CCC2)C1 ZINC000896057746 618867749 /nfs/dbraw/zinc/86/77/49/618867749.db2.gz NGZZFEQNMNLDJG-OAHLLOKOSA-N 0 0 317.429 3.480 20 10 DGCDRN C[C@@H]1SCCN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@H]1C ZINC000896445192 618914903 /nfs/dbraw/zinc/91/49/03/618914903.db2.gz NSARYWWQCQDQFG-IUCAKERBSA-N 0 0 323.439 3.279 20 10 DGCDRN CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H](c3ccn(C)n3)C2)cc1 ZINC000896488566 618917620 /nfs/dbraw/zinc/91/76/20/618917620.db2.gz IDISDKJYVNDMJM-MJICGBHWSA-N 0 0 324.472 3.379 20 10 DGCDRN Cc1cc(CO)cc(C)c1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000896557459 618928225 /nfs/dbraw/zinc/92/82/25/618928225.db2.gz DRGMRRJWOIANTN-UHFFFAOYSA-N 0 0 307.340 3.069 20 10 DGCDRN CC1(C)OCc2cc(C[NH2+]Cc3c([O-])cccc3F)ccc2O1 ZINC000896636440 618939354 /nfs/dbraw/zinc/93/93/54/618939354.db2.gz CNROEMOPZONTJX-UHFFFAOYSA-N 0 0 317.360 3.466 20 10 DGCDRN Cc1cnc(F)cc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000896691725 618946729 /nfs/dbraw/zinc/94/67/29/618946729.db2.gz MDXMVGDOAKJMJY-UHFFFAOYSA-N 0 0 314.360 3.044 20 10 DGCDRN CN(C)c1cc(F)c(CN2CCC(O)(C3CCC3)CC2)cc1F ZINC000897034021 619004643 /nfs/dbraw/zinc/00/46/43/619004643.db2.gz GKVAEKIMRCWPGI-UHFFFAOYSA-N 0 0 324.415 3.158 20 10 DGCDRN CN(C)c1ccc(Cn2cc(CN(C)c3ccccc3)nn2)cc1 ZINC000881272341 625309833 /nfs/dbraw/zinc/30/98/33/625309833.db2.gz UCAMCASGPHFNKJ-UHFFFAOYSA-N 0 0 321.428 3.029 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCC[C@H]2CCC(C)(C)CO2)c1 ZINC000897099213 619016379 /nfs/dbraw/zinc/01/63/79/619016379.db2.gz XMQJQIIUCZWURR-OAHLLOKOSA-N 0 0 320.433 3.095 20 10 DGCDRN Cn1nc(C2CC2)cc1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000897223899 619032069 /nfs/dbraw/zinc/03/20/69/619032069.db2.gz AZZDIYQLAGFKMW-UHFFFAOYSA-N 0 0 309.772 3.085 20 10 DGCDRN [O-]c1c(C[NH2+]CC[C@H]2OCCc3ccccc32)ccc(F)c1F ZINC000897232335 619032858 /nfs/dbraw/zinc/03/28/58/619032858.db2.gz QORIAJQWEDNBEV-MRXNPFEDSA-N 0 0 319.351 3.464 20 10 DGCDRN COc1cccc(O)c1C[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000897269606 619040029 /nfs/dbraw/zinc/04/00/29/619040029.db2.gz KIYVAKJOZSQDJQ-OAHLLOKOSA-N 0 0 305.418 3.039 20 10 DGCDRN CCn1c(C)nc([N+](=O)[O-])c1NCc1cccc(Cl)c1O ZINC000897391853 619102434 /nfs/dbraw/zinc/10/24/34/619102434.db2.gz CQHDWWKVPCLCEU-UHFFFAOYSA-N 0 0 310.741 3.091 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccc2c(c1)CCO2 ZINC000897417824 619108656 /nfs/dbraw/zinc/10/86/56/619108656.db2.gz ANDYJILGRAINBW-SNVBAGLBSA-N 0 0 305.324 3.456 20 10 DGCDRN CCN(CC)C(=O)CCC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841743723 619131823 /nfs/dbraw/zinc/13/18/23/619131823.db2.gz BXVMOUWPITUZFV-LBPRGKRZSA-N 0 0 312.841 3.345 20 10 DGCDRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccc(N)cc1 ZINC000204173061 619136497 /nfs/dbraw/zinc/13/64/97/619136497.db2.gz PBRPIUPQRJFJQZ-ZTFGCOKTSA-N 0 0 318.461 3.362 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC[C@H]1CCCC[C@H]1O ZINC000897537455 619150826 /nfs/dbraw/zinc/15/08/26/619150826.db2.gz YRHLBMQTEKFGAB-QMTHXVAHSA-N 0 0 301.789 3.216 20 10 DGCDRN CCN(C)c1ccc(Cn2cc([C@@H]3CCCC(=O)C3)nn2)cc1 ZINC000881313207 625324178 /nfs/dbraw/zinc/32/41/78/625324178.db2.gz DBKWIXQIJHTSGV-OAHLLOKOSA-N 0 0 312.417 3.009 20 10 DGCDRN C[C@@H]([NH2+]Cc1cccc(Br)c1[O-])c1cncs1 ZINC000897933990 619194455 /nfs/dbraw/zinc/19/44/55/619194455.db2.gz CKDKZWLSWISQAB-MRVPVSSYSA-N 0 0 313.220 3.462 20 10 DGCDRN O=C(N[C@@H]1CCCC[C@H]1F)c1cc2cc(O)c(O)cc2s1 ZINC000897975063 619196741 /nfs/dbraw/zinc/19/67/41/619196741.db2.gz AMSJMBAMHWUJCP-NXEZZACHSA-N 0 0 309.362 3.323 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1CN1CCC([NH2+]C2CCC2)CC1 ZINC000897980859 619202555 /nfs/dbraw/zinc/20/25/55/619202555.db2.gz FLZNRTBHEWJSGJ-UHFFFAOYSA-N 0 0 312.816 3.291 20 10 DGCDRN Nc1ccc(OCc2cn(CCC3CCCCC3)nn2)cc1 ZINC000881317008 625327116 /nfs/dbraw/zinc/32/71/16/625327116.db2.gz XEKFTGHSKAPJIB-UHFFFAOYSA-N 0 0 300.406 3.410 20 10 DGCDRN O=C(C[C@@H]1CCC2(CCC2)CO1)NCc1cc(Cl)ccc1O ZINC000898277321 619231583 /nfs/dbraw/zinc/23/15/83/619231583.db2.gz MSNKQYUUIGVCJA-AWEZNQCLSA-N 0 0 323.820 3.401 20 10 DGCDRN CSCC(C)(C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000898305834 619235510 /nfs/dbraw/zinc/23/55/10/619235510.db2.gz UEAOGELBDLLMPW-UHFFFAOYSA-N 0 0 304.253 3.386 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCC[C@@H]2CCC(F)(F)C2)c1 ZINC000898493340 619279899 /nfs/dbraw/zinc/27/98/99/619279899.db2.gz QHSVQMDCPPAVLZ-LBPRGKRZSA-N 0 0 312.360 3.325 20 10 DGCDRN CSC1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000899153035 619315137 /nfs/dbraw/zinc/31/51/37/619315137.db2.gz FCJBAFDPXQYCAR-UHFFFAOYSA-N 0 0 323.439 3.280 20 10 DGCDRN CCN(C)c1ccc(Cn2cc(-c3ccccc3OC)nn2)cc1 ZINC000900549129 619434867 /nfs/dbraw/zinc/43/48/67/619434867.db2.gz DLLMASUILDGBFQ-UHFFFAOYSA-N 0 0 322.412 3.458 20 10 DGCDRN O=C(NCCC1CCC(F)(F)CC1)c1c(F)ccc(O)c1O ZINC000900828361 619453783 /nfs/dbraw/zinc/45/37/83/619453783.db2.gz MCKWGKJYYGKURL-UHFFFAOYSA-N 0 0 317.307 3.182 20 10 DGCDRN Oc1c(Br)cccc1CNc1nccnc1C1CC1 ZINC000902167070 619598347 /nfs/dbraw/zinc/59/83/47/619598347.db2.gz ZORNSPVJJOTTJS-UHFFFAOYSA-N 0 0 320.190 3.434 20 10 DGCDRN Cc1nn(C)c(NCc2cc(C)c(C)cc2O)c1Br ZINC000902231530 619605694 /nfs/dbraw/zinc/60/56/94/619605694.db2.gz WTXBKKDMMQOQQP-UHFFFAOYSA-N 0 0 324.222 3.426 20 10 DGCDRN C[C@@H](N[C@@H]1C[NH2+]CC1(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000902450808 619639979 /nfs/dbraw/zinc/63/99/79/619639979.db2.gz UMIZMNYLNRUNIB-LDYMZIIASA-N 0 0 303.233 3.348 20 10 DGCDRN CCCn1cc([C@H](C)NCc2ccc(N(CC)CC)cc2)nn1 ZINC000902755835 619671112 /nfs/dbraw/zinc/67/11/12/619671112.db2.gz UJENPJYJLUZTAY-HNNXBMFYSA-N 0 0 315.465 3.385 20 10 DGCDRN C[C@H]([NH2+]C[C@@]1(c2ccccc2)C[C@@H](O)C1)c1ccc(F)cc1[O-] ZINC000903269611 619749548 /nfs/dbraw/zinc/74/95/48/619749548.db2.gz BXJLVHYBDITDCV-AXHNFQJDSA-N 0 0 315.388 3.275 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cnn(CCF)c1)c1cc(Cl)ccc1O ZINC000903273923 619750529 /nfs/dbraw/zinc/75/05/29/619750529.db2.gz FVXCNUKGNPWVCO-CQSZACIVSA-N 0 0 311.788 3.453 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000903299894 619753482 /nfs/dbraw/zinc/75/34/82/619753482.db2.gz CTQDKSWZJALULI-SBMIAAHKSA-N 0 0 303.233 3.442 20 10 DGCDRN CC[C@@H]([NH2+]C[C@]1(OC(C)C)CCOC1)c1ccc(F)cc1[O-] ZINC000903357219 619764608 /nfs/dbraw/zinc/76/46/08/619764608.db2.gz LAYQGZCJHPZDLD-NVXWUHKLSA-N 0 0 311.397 3.156 20 10 DGCDRN C[C@H]([NH2+]CC[C@@H](O)C1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000903408853 619772083 /nfs/dbraw/zinc/77/20/83/619772083.db2.gz URFYHRVUKCIGKJ-TVQRCGJNSA-N 0 0 303.324 3.223 20 10 DGCDRN C[C@@H](NC(=O)Nc1ccc(N)cc1)c1cnn(CC2CCC2)c1 ZINC000904500035 619925496 /nfs/dbraw/zinc/92/54/96/619925496.db2.gz IMTJFUNLMBZGMD-GFCCVEGCSA-N 0 0 313.405 3.148 20 10 DGCDRN COC(=O)c1cnc(SC[C@@H](O)c2cccc(C)c2)s1 ZINC000905954389 620046911 /nfs/dbraw/zinc/04/69/11/620046911.db2.gz AZNUAVLKRFLBTF-LLVKDONJSA-N 0 0 309.412 3.064 20 10 DGCDRN Cc1cc(C)c(CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)s1 ZINC000907276191 620146466 /nfs/dbraw/zinc/14/64/66/620146466.db2.gz ZZIGVKCGXGYYAP-NSHDSACASA-N 0 0 319.426 3.066 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCC=CCCC1 ZINC000907274075 620146565 /nfs/dbraw/zinc/14/65/65/620146565.db2.gz OJTGVWDHGHFUKW-UKRRQHHQSA-N 0 0 303.402 3.282 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1nnc(CC)s1 ZINC000908045452 620187699 /nfs/dbraw/zinc/18/76/99/620187699.db2.gz PAOZERIRPOIQKW-UHFFFAOYSA-N 0 0 319.430 3.249 20 10 DGCDRN CCC[C@@]1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCOC1 ZINC000908156320 620190736 /nfs/dbraw/zinc/19/07/36/620190736.db2.gz MXUYCXJIHJXVFY-MRXNPFEDSA-N 0 0 321.398 3.002 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N(CC(F)(F)F)C2CC2)cc1 ZINC000908268961 620197419 /nfs/dbraw/zinc/19/74/19/620197419.db2.gz RZUAFCIDQQVPHU-UHFFFAOYSA-N 0 0 314.267 3.016 20 10 DGCDRN CSC1(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC000789212177 625404968 /nfs/dbraw/zinc/40/49/68/625404968.db2.gz FWFAYFWBQFTXKT-CYBMUJFWSA-N 0 0 321.490 3.399 20 10 DGCDRN C[C@H](CCc1cccc(F)c1)C(=O)NCc1ccc(O)cc1O ZINC000910950121 620318441 /nfs/dbraw/zinc/31/84/41/620318441.db2.gz CPFPTTXEVNLYHC-GFCCVEGCSA-N 0 0 317.360 3.122 20 10 DGCDRN CCc1ccc([C@@H](C)CC(=O)NCc2ccc(O)cc2O)cc1 ZINC000910951555 620318479 /nfs/dbraw/zinc/31/84/79/620318479.db2.gz SZSHALPLDZCRKJ-ZDUSSCGKSA-N 0 0 313.397 3.470 20 10 DGCDRN C[C@H]1C[C@H]1c1ccc(CCC(=O)NCc2ccc(O)cc2O)o1 ZINC000910952246 620318544 /nfs/dbraw/zinc/31/85/44/620318544.db2.gz UHLVCKFLFUGNMT-XHDPSFHLSA-N 0 0 315.369 3.063 20 10 DGCDRN CC(C)c1ccc(CCC(=O)NCc2ccc(O)cc2O)cc1 ZINC000910952247 620318609 /nfs/dbraw/zinc/31/86/09/620318609.db2.gz UHTBRTCKSGDWTK-UHFFFAOYSA-N 0 0 313.397 3.470 20 10 DGCDRN CC(C)COc1ccccc1C(=O)NCc1ccc(O)cc1O ZINC000910956475 620318867 /nfs/dbraw/zinc/31/88/67/620318867.db2.gz WLXZRRFZTPPCBI-UHFFFAOYSA-N 0 0 315.369 3.063 20 10 DGCDRN C[C@@H]1CCc2sc(C(=O)NCc3ccc(O)cc3O)cc2C1 ZINC000910958797 620318930 /nfs/dbraw/zinc/31/89/30/620318930.db2.gz VBPPETNFXZYIPG-SNVBAGLBSA-N 0 0 317.410 3.214 20 10 DGCDRN CC12C[C@H]3C[C@@H](C1)CC(C(=O)NCc1ccc(O)cc1O)(C3)C2 ZINC000910957166 620318935 /nfs/dbraw/zinc/31/89/35/620318935.db2.gz KWZCXTQVQNTWJV-NFAYLAGKSA-N 0 0 315.413 3.321 20 10 DGCDRN Cc1ccc(C2(C(=O)NCc3ccc(O)cc3O)CCC2)cc1 ZINC000910944064 620319459 /nfs/dbraw/zinc/31/94/59/620319459.db2.gz KGOYVGXTBCARNS-UHFFFAOYSA-N 0 0 311.381 3.144 20 10 DGCDRN COCC1CN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1 ZINC000911964788 620356822 /nfs/dbraw/zinc/35/68/22/620356822.db2.gz GWWWHBZYSHEECM-UHFFFAOYSA-N 0 0 312.413 3.121 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000912101234 620364807 /nfs/dbraw/zinc/36/48/07/620364807.db2.gz OSAMBYJWABVDRB-GDBMZVCRSA-N 0 0 317.410 3.182 20 10 DGCDRN Cc1cc(C(=O)NN2CCCC[C@H]2C)c(C)n1-c1ccccn1 ZINC000912154582 620370707 /nfs/dbraw/zinc/37/07/07/620370707.db2.gz LHXHJHFACHTMHF-CYBMUJFWSA-N 0 0 312.417 3.008 20 10 DGCDRN O=C(Cn1cncn1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000912584475 620397587 /nfs/dbraw/zinc/39/75/87/620397587.db2.gz DWTBENMFORJYOZ-UHFFFAOYSA-N 0 0 306.329 3.332 20 10 DGCDRN COCC[C@@H](Cc1ccco1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000753567569 620451864 /nfs/dbraw/zinc/45/18/64/620451864.db2.gz AVZXHWXHOSIJRX-ZDUSSCGKSA-N 0 0 309.793 3.376 20 10 DGCDRN C[C@H](NC(=O)[C@@H]1CCOC2(CCCC2)C1)c1ccccc1O ZINC000913763381 620477983 /nfs/dbraw/zinc/47/79/83/620477983.db2.gz FDKGKCRZPAFVPU-UONOGXRCSA-N 0 0 303.402 3.309 20 10 DGCDRN COc1ccc(F)c(NC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000151915428 620480832 /nfs/dbraw/zinc/48/08/32/620480832.db2.gz SUONWUJJEVVIIX-UHFFFAOYSA-N 0 0 317.364 3.222 20 10 DGCDRN CCn1nccc1C=C1SC(Nc2ccccc2C)=NC1=O ZINC000152149568 620495129 /nfs/dbraw/zinc/49/51/29/620495129.db2.gz BLNBIPYRDNZHNS-GXDHUFHOSA-N 0 0 312.398 3.294 20 10 DGCDRN COc1ccc(N(CCOC[C@@H]2CCCO2)C(C)C)cc1F ZINC000152231208 620498605 /nfs/dbraw/zinc/49/86/05/620498605.db2.gz WTTHGOLGQCAATQ-HNNXBMFYSA-N 0 0 311.397 3.245 20 10 DGCDRN O=C(NCc1c(O)cccc1F)N[C@H]1CCCc2occc21 ZINC000914151917 620508975 /nfs/dbraw/zinc/50/89/75/620508975.db2.gz PSBUFYJKPSYCKP-ZDUSSCGKSA-N 0 0 304.321 3.001 20 10 DGCDRN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000914180275 620511467 /nfs/dbraw/zinc/51/14/67/620511467.db2.gz JWQTVSKCWIQUFX-NKGKWGDASA-N 0 0 313.445 3.131 20 10 DGCDRN Nc1ccc(CCNC(=O)C2(c3ccc(F)cc3)CCC2)cc1 ZINC000152566364 620513207 /nfs/dbraw/zinc/51/32/07/620513207.db2.gz VZWUIMZFLFAZOG-UHFFFAOYSA-N 0 0 312.388 3.189 20 10 DGCDRN Cc1ccc([C@H](C)NC(=O)NCc2c(O)cccc2F)s1 ZINC000914330928 620520743 /nfs/dbraw/zinc/52/07/43/620520743.db2.gz GNQUQKUHOQXMSO-JTQLQIEISA-N 0 0 308.378 3.462 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCCCc2ccccc2)cc1 ZINC000031726758 620528861 /nfs/dbraw/zinc/52/88/61/620528861.db2.gz XAONBTYKUQEUGL-UHFFFAOYSA-N 0 0 311.429 3.185 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)CCc2cccnc2)C2CC2)cc1 ZINC000914439442 620535669 /nfs/dbraw/zinc/53/56/69/620535669.db2.gz YJKLGWLQDNNXTD-UHFFFAOYSA-N 0 0 323.440 3.271 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1cc(F)cc(Cl)c1 ZINC000153197889 620539326 /nfs/dbraw/zinc/53/93/26/620539326.db2.gz QXZKSEOBJHQRNL-UHFFFAOYSA-N 0 0 324.739 3.255 20 10 DGCDRN Cc1cc(COC(=O)c2cc(C)n(-c3ccccn3)c2C)on1 ZINC000914907841 620560797 /nfs/dbraw/zinc/56/07/97/620560797.db2.gz WRONYZFIIGACMS-UHFFFAOYSA-N 0 0 311.341 3.143 20 10 DGCDRN CCc1ccccc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000153462012 620566831 /nfs/dbraw/zinc/56/68/31/620566831.db2.gz ITTSNLPAPZLCHA-UHFFFAOYSA-N 0 0 300.377 3.384 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NCc2ccc(Cl)o2)cc1 ZINC000915914352 620606243 /nfs/dbraw/zinc/60/62/43/620606243.db2.gz RATDNEGUVDKBFD-UHFFFAOYSA-N 0 0 321.808 3.341 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cc2occc2[nH]1 ZINC000154001974 620630521 /nfs/dbraw/zinc/63/05/21/620630521.db2.gz JEHORYVCEMAHIK-UHFFFAOYSA-N 0 0 310.353 3.275 20 10 DGCDRN CC(C)c1ccc(-n2nnnc2Sc2nccs2)cc1 ZINC000920960799 620830118 /nfs/dbraw/zinc/83/01/18/620830118.db2.gz KGGHESVUQLNKPG-UHFFFAOYSA-N 0 0 303.416 3.393 20 10 DGCDRN CCN(CC(=O)N(C(C)C)C(C)C)c1ccc(OC)c(OC)c1 ZINC000921060968 620835526 /nfs/dbraw/zinc/83/55/26/620835526.db2.gz GSWUTIYWORZWNC-UHFFFAOYSA-N 0 0 322.449 3.176 20 10 DGCDRN Cc1cc(CC(=O)N2C[C@@H](F)[C@@H](F)C2)c(C)n1-c1ccccc1 ZINC000854781331 620837542 /nfs/dbraw/zinc/83/75/42/620837542.db2.gz PZNGSFFLRWMYTQ-CALCHBBNSA-N 0 0 318.367 3.155 20 10 DGCDRN CC(C)N(C)C(=O)c1ccccc1NC(=O)C1=CC(=O)CS1 ZINC000855052363 620866588 /nfs/dbraw/zinc/86/65/88/620866588.db2.gz MTCSNAWNTZRBTI-UHFFFAOYSA-N 0 0 318.398 3.186 20 10 DGCDRN CC[C@H](CC(C)C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855222822 620881411 /nfs/dbraw/zinc/88/14/11/620881411.db2.gz AZUDLAYSFOBQRU-CVEARBPZSA-N 0 0 318.461 3.462 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CC[NH+](CC2CC2)CC1 ZINC000768770888 620881482 /nfs/dbraw/zinc/88/14/82/620881482.db2.gz JULBEUBOJHWLDX-UHFFFAOYSA-N 0 0 315.244 3.227 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)[C@@]3(C)CCC[C@@H]3C)C2)cc1 ZINC000855226976 620881620 /nfs/dbraw/zinc/88/16/20/620881620.db2.gz RUKGCRQHJRTSGE-DOXZYTNZSA-N 0 0 316.445 3.216 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCCC3(C)C)C2)cc1 ZINC000855223612 620881749 /nfs/dbraw/zinc/88/17/49/620881749.db2.gz BKVXYFIYBNXOAA-RHSMWYFYSA-N 0 0 316.445 3.216 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)c3ccsc3C)C2)cc1 ZINC000855226331 620881777 /nfs/dbraw/zinc/88/17/77/620881777.db2.gz RDQRRRPXGFOCDG-ZDUSSCGKSA-N 0 0 316.426 3.074 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCC[C@@H]3C)C2)cc1 ZINC000855225051 620881975 /nfs/dbraw/zinc/88/19/75/620881975.db2.gz NMEUQWZOLGGRKL-MPGHIAIKSA-N 0 0 316.445 3.216 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)CC3(C)CCCC3)C2)cc1 ZINC000855226988 620882303 /nfs/dbraw/zinc/88/23/03/620882303.db2.gz SDBCHHALIPNXSC-HNNXBMFYSA-N 0 0 316.445 3.361 20 10 DGCDRN CC[C@@H](CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C(C)C ZINC000855228854 620882399 /nfs/dbraw/zinc/88/23/99/620882399.db2.gz FJCKYHYECBOXCW-JKSUJKDBSA-N 0 0 318.461 3.462 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)CCc3ccccc3)C2)cc1 ZINC000855234591 620882792 /nfs/dbraw/zinc/88/27/92/620882792.db2.gz FVAJZPVGHFVZCP-KRWDZBQOSA-N 0 0 324.424 3.023 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)C[C@H]3CC[C@@H](C)C3)C2)cc1 ZINC000855233998 620882951 /nfs/dbraw/zinc/88/29/51/620882951.db2.gz QKBXQBKMPHHQGH-PMPSAXMXSA-N 0 0 316.445 3.216 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)c3ccccc3C)C2)cc1 ZINC000855235096 620883035 /nfs/dbraw/zinc/88/30/35/620883035.db2.gz WZMSYKUMYFRBRO-OAHLLOKOSA-N 0 0 310.397 3.012 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CC12CC2)c1cc(Br)c(F)cc1[O-] ZINC000818357165 620899864 /nfs/dbraw/zinc/89/98/64/620899864.db2.gz VUVFASOGPJOLQD-JVXZTZIISA-N 0 0 300.171 3.497 20 10 DGCDRN O=C(Nc1ccc2c(c1)[C@@H](O)CCCC2)c1cccc(O)c1O ZINC000855549328 620912152 /nfs/dbraw/zinc/91/21/52/620912152.db2.gz AXKACUGZBVSAMV-HNNXBMFYSA-N 0 0 313.353 3.110 20 10 DGCDRN COc1cccc([C@]2(C)CCN(C(=O)C3=CC(=O)CS3)C2)c1 ZINC000855838779 620940794 /nfs/dbraw/zinc/94/07/94/620940794.db2.gz RGLGMRPMRFSRIT-QGZVFWFLSA-N 0 0 317.410 3.266 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H]3COC[C@@]3(C)C2)cc1 ZINC000855841254 620941205 /nfs/dbraw/zinc/94/12/05/620941205.db2.gz KHLUOQHZBKUUAP-FXAWDEMLSA-N 0 0 324.424 3.203 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C=C\c1cncc(C)c1)CCC2 ZINC000856076959 620958419 /nfs/dbraw/zinc/95/84/19/620958419.db2.gz LXAFYBLSEUHBNZ-YVMONPNESA-N 0 0 308.381 3.391 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C=C/c1scnc1C)CCC2 ZINC000856077660 620958657 /nfs/dbraw/zinc/95/86/57/620958657.db2.gz YXKGBBFQSYOPBY-BQYQJAHWSA-N 0 0 314.410 3.453 20 10 DGCDRN Cc1cc(C(=O)N2CCC3(COC3)C2)c(C)n1-c1ccccc1C ZINC000856195771 620971424 /nfs/dbraw/zinc/97/14/24/620971424.db2.gz VWXKMPCDCNDRRM-UHFFFAOYSA-N 0 0 324.424 3.265 20 10 DGCDRN C[C@H](NCc1nc(Br)c[nH]1)c1ccc(N(C)C)cc1 ZINC000922014466 620980266 /nfs/dbraw/zinc/98/02/66/620980266.db2.gz IMPBPMJKXWARHM-JTQLQIEISA-N 0 0 323.238 3.089 20 10 DGCDRN COc1ccc(O)c(CNC(=O)C[C@H](C)c2ccccc2F)c1 ZINC000114541408 621009181 /nfs/dbraw/zinc/00/91/81/621009181.db2.gz YGLQKFXOGIBZOW-LBPRGKRZSA-N 0 0 317.360 3.350 20 10 DGCDRN COc1ccc(O)c(CNC(=O)C2(c3ccccc3C)CC2)c1 ZINC000114541831 621009195 /nfs/dbraw/zinc/00/91/95/621009195.db2.gz ICDUNLGCIRXFKG-UHFFFAOYSA-N 0 0 311.381 3.057 20 10 DGCDRN COc1ccc(O)c(CNC(=O)/C=C(/C)c2cccc(F)c2)c1 ZINC000114541295 621009387 /nfs/dbraw/zinc/00/93/87/621009387.db2.gz RPZNEGJKCRJEGZ-WQLSENKSSA-N 0 0 315.344 3.260 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2cccc3c(C)c(C)[nH]c32)c1 ZINC000114541083 621009398 /nfs/dbraw/zinc/00/93/98/621009398.db2.gz XNWIAVNMCXMIOL-UHFFFAOYSA-N 0 0 324.380 3.429 20 10 DGCDRN CC1CC(CNC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000856825931 621026895 /nfs/dbraw/zinc/02/68/95/621026895.db2.gz OBYCHYKPDKAHEQ-UHFFFAOYSA-N 0 0 301.434 3.132 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CC(C)(c3ccccc3)C2)cc1 ZINC000856832962 621027422 /nfs/dbraw/zinc/02/74/22/621027422.db2.gz WENYHICVKYUQNL-UHFFFAOYSA-N 0 0 323.440 3.236 20 10 DGCDRN C[C@H](NC(=O)NCC[C@@H]1CC1(F)F)c1ccc(N(C)C)cc1 ZINC000856847973 621028232 /nfs/dbraw/zinc/02/82/32/621028232.db2.gz AANVTZLNCYWQAO-WCQYABFASA-N 0 0 311.376 3.158 20 10 DGCDRN CN(C)c1ccc(/C=C\CN[C@@H](c2ncccn2)C2CC2)cc1 ZINC000922577266 621059840 /nfs/dbraw/zinc/05/98/40/621059840.db2.gz PNVZGCDMGIQABJ-LKIHTYOGSA-N 0 0 308.429 3.297 20 10 DGCDRN CCCc1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)s1 ZINC000857202521 621068227 /nfs/dbraw/zinc/06/82/27/621068227.db2.gz PIGGZKDATPGLBK-JLHYYAGUSA-N 0 0 322.455 3.003 20 10 DGCDRN O=C(NCc1c(O)cccc1F)NC[C@H]1CCCCC1(F)F ZINC000922658498 621075248 /nfs/dbraw/zinc/07/52/48/621075248.db2.gz PELLRWOODSAFLL-SNVBAGLBSA-N 0 0 316.323 3.156 20 10 DGCDRN CNc1cc(Cl)ccc1C(=O)N(C)Cc1ccccc1O ZINC000857467081 621089767 /nfs/dbraw/zinc/08/97/67/621089767.db2.gz QTYUPOSXNVJDIN-UHFFFAOYSA-N 0 0 304.777 3.360 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CC[C@@H]1CCCCO1 ZINC000115280550 621094476 /nfs/dbraw/zinc/09/44/76/621094476.db2.gz JMOAVMUHIYIJBA-KRWDZBQOSA-N 0 0 304.434 3.027 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CCc1ccccc1F ZINC000115280768 621094589 /nfs/dbraw/zinc/09/45/89/621094589.db2.gz CNNDVHDVKPAUNN-UHFFFAOYSA-N 0 0 314.404 3.449 20 10 DGCDRN CCOc1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1 ZINC000857547286 621095029 /nfs/dbraw/zinc/09/50/29/621095029.db2.gz XQCQFIFITGUUGN-UHFFFAOYSA-N 0 0 305.761 3.374 20 10 DGCDRN COc1ccccc1CCC(=O)NCc1cc(Cl)ccc1O ZINC000857547642 621095113 /nfs/dbraw/zinc/09/51/13/621095113.db2.gz NQDCVZCASFNACB-UHFFFAOYSA-N 0 0 319.788 3.303 20 10 DGCDRN C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCS1 ZINC000922844441 621107374 /nfs/dbraw/zinc/10/73/74/621107374.db2.gz XFBSFTCEAOBCES-KWQFWETISA-N 0 0 316.810 3.328 20 10 DGCDRN C[C@@H]1CC[C@H](C)N1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000131352316 621116547 /nfs/dbraw/zinc/11/65/47/621116547.db2.gz LCQZPPIYQHBQMU-OKILXGFUSA-N 0 0 301.434 3.151 20 10 DGCDRN Cc1cnc(NC(=O)NCCCSc2nccs2)s1 ZINC000115633189 621119523 /nfs/dbraw/zinc/11/95/23/621119523.db2.gz XVOPODKXTTXSLZ-UHFFFAOYSA-N 0 0 314.461 3.212 20 10 DGCDRN Cc1cc(O)c(CNCc2nc3c(s2)COCC3)c(Cl)c1 ZINC000922961690 621139570 /nfs/dbraw/zinc/13/95/70/621139570.db2.gz SLEGVFQFGAHZQW-UHFFFAOYSA-N 0 0 324.833 3.173 20 10 DGCDRN CCCN(CC(F)F)C(=O)NCc1ccc(N(C)C)cc1C ZINC000115855026 621152433 /nfs/dbraw/zinc/15/24/33/621152433.db2.gz NCTDHPSMHUYUDZ-UHFFFAOYSA-N 0 0 313.392 3.248 20 10 DGCDRN Cc1noc(C)c1[C@@H](C)NCc1cc(F)c(N(C)C)cc1F ZINC000858136985 621156914 /nfs/dbraw/zinc/15/69/14/621156914.db2.gz BXZDJFJKAXADMP-SECBINFHSA-N 0 0 309.360 3.486 20 10 DGCDRN Cc1csc([C@@H](C)NC(=O)NCc2cc(C)ccc2O)n1 ZINC000858182502 621162020 /nfs/dbraw/zinc/16/20/20/621162020.db2.gz WEHBJTHZWUTRHY-LLVKDONJSA-N 0 0 305.403 3.026 20 10 DGCDRN CCO[C@@H](C(=O)N(C)Cc1ccc(N(CC)CC)cc1)C1CC1 ZINC000858201591 621164195 /nfs/dbraw/zinc/16/41/95/621164195.db2.gz QLKSYEUKCPDVCF-GOSISDBHSA-N 0 0 318.461 3.306 20 10 DGCDRN CCn1ncc(CNCc2cc(C)n(-c3cccc(C)c3)c2C)n1 ZINC000858204974 621164821 /nfs/dbraw/zinc/16/48/21/621164821.db2.gz PPDAHPBIQWARNJ-UHFFFAOYSA-N 0 0 323.444 3.304 20 10 DGCDRN CCC[C@@H](C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])OCC ZINC000858210126 621165171 /nfs/dbraw/zinc/16/51/71/621165171.db2.gz GJTGNCJGYQDCLH-LBPRGKRZSA-N 0 0 316.785 3.249 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@H]2Cc2ccccc2)c1 ZINC000858249286 621168445 /nfs/dbraw/zinc/16/84/45/621168445.db2.gz NNGNKGHNCBBZNK-WBVHZDCISA-N 0 0 310.397 3.131 20 10 DGCDRN CC[C@H](CC(F)(F)F)NC(=O)NCc1cc(C)ccc1O ZINC000858362046 621181361 /nfs/dbraw/zinc/18/13/61/621181361.db2.gz LYFJWEOEPGGDDT-LLVKDONJSA-N 0 0 304.312 3.231 20 10 DGCDRN CC[C@@H](C)Oc1cc(NCc2cccc(OC)c2O)nc(C)n1 ZINC000858387317 621184649 /nfs/dbraw/zinc/18/46/49/621184649.db2.gz DZGAIXHMCFXGTM-LLVKDONJSA-N 0 0 317.389 3.289 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N(C)C2CC2)ccc1C ZINC000858421941 621188565 /nfs/dbraw/zinc/18/85/65/621188565.db2.gz BRHSXHBNKPVCIS-UHFFFAOYSA-N 0 0 310.397 3.449 20 10 DGCDRN CCC[C@@H](C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-])OCC ZINC000858450692 621192791 /nfs/dbraw/zinc/19/27/91/621192791.db2.gz HOISJGDTOXDDGY-OCCSQVGLSA-N 0 0 309.406 3.035 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2c3ccccc3O[C@H]2C)c1 ZINC000858460930 621193878 /nfs/dbraw/zinc/19/38/78/621193878.db2.gz FHVUNFYQWUBARX-SJCJKPOMSA-N 0 0 312.369 3.022 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2c3ccccc3O[C@@H]2C)c1 ZINC000858460932 621194068 /nfs/dbraw/zinc/19/40/68/621194068.db2.gz FHVUNFYQWUBARX-SJKOYZFVSA-N 0 0 312.369 3.022 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1ccc(Cl)cc1[O-] ZINC000858480391 621196541 /nfs/dbraw/zinc/19/65/41/621196541.db2.gz SPHDAAJQPBNKGL-ZYHUDNBSSA-N 0 0 318.795 3.426 20 10 DGCDRN COc1cc(N[C@H](C)c2ccc(N(C)C)cc2)cnc1OC ZINC000858481536 621196648 /nfs/dbraw/zinc/19/66/48/621196648.db2.gz JEMSGOLFCGRFIH-GFCCVEGCSA-N 0 0 301.390 3.338 20 10 DGCDRN CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](CC)c2ccc(F)cc2[O-])C1 ZINC000858505869 621199865 /nfs/dbraw/zinc/19/98/65/621199865.db2.gz BPMVFRQYMVBVLR-HIFRSBDPSA-N 0 0 307.365 3.224 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC[C@]2(C)CC2(Cl)Cl)c1 ZINC000858514141 621200771 /nfs/dbraw/zinc/20/07/71/621200771.db2.gz SOXGGSOFLRHZBX-ZDUSSCGKSA-N 0 0 317.216 3.084 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@]2(F)c2ccccc2)c1 ZINC000858554810 621204303 /nfs/dbraw/zinc/20/43/03/621204303.db2.gz SPKHOKHMPDIPAV-WMZOPIPTSA-N 0 0 314.360 3.137 20 10 DGCDRN CS[C@@H]1CCCC[C@H]1NC(=O)NCc1cc(C)ccc1O ZINC000858579168 621206509 /nfs/dbraw/zinc/20/65/09/621206509.db2.gz NGBOYRXALRFLCA-UKRRQHHQSA-N 0 0 308.447 3.174 20 10 DGCDRN CCC[C@H](CNC(=O)NCc1cc(Cl)ccc1O)OCC ZINC000858683910 621214533 /nfs/dbraw/zinc/21/45/33/621214533.db2.gz YGQKINLNYMJIAY-CYBMUJFWSA-N 0 0 314.813 3.050 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000858827080 621223210 /nfs/dbraw/zinc/22/32/10/621223210.db2.gz VFOGPUOEVNCGNV-BSXFFOKHSA-N 0 0 318.461 3.161 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000858827082 621223277 /nfs/dbraw/zinc/22/32/77/621223277.db2.gz VFOGPUOEVNCGNV-LLDVTBCESA-N 0 0 318.461 3.161 20 10 DGCDRN Cc1csc(-c2nnc(N(C)Cc3ccccc3O)n2C)c1 ZINC000858867677 621226992 /nfs/dbraw/zinc/22/69/92/621226992.db2.gz IONDETBYALILMG-UHFFFAOYSA-N 0 0 314.414 3.194 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NCCC(C)(C)C2CC2)c1 ZINC000838474751 621258293 /nfs/dbraw/zinc/25/82/93/621258293.db2.gz QAJWNCMBIMVHQO-UHFFFAOYSA-N 0 0 306.406 3.026 20 10 DGCDRN C[C@@]1(NC(=O)NCCCSc2nccs2)CC=CCC1 ZINC000838515588 621261694 /nfs/dbraw/zinc/26/16/94/621261694.db2.gz XNVLGINIOOFJOK-CQSZACIVSA-N 0 0 311.476 3.423 20 10 DGCDRN COC[C@H]1CCCCN1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000838558891 621262906 /nfs/dbraw/zinc/26/29/06/621262906.db2.gz HQXBWCIHLRHLDL-WMLDXEAASA-N 0 0 319.449 3.024 20 10 DGCDRN CCn1nncc1CN(c1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000838895936 621299927 /nfs/dbraw/zinc/29/99/27/621299927.db2.gz QJXXJEAWKNDKGA-CYBMUJFWSA-N 0 0 300.406 3.112 20 10 DGCDRN CN(Cc1nccn1Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000121351306 621305844 /nfs/dbraw/zinc/30/58/44/621305844.db2.gz DGXAWIOWEPDPEF-UHFFFAOYSA-N 0 0 321.380 3.297 20 10 DGCDRN COc1cccc(CN2CC(F)(c3ccccc3F)C2)c1O ZINC000839143179 621341071 /nfs/dbraw/zinc/34/10/71/621341071.db2.gz NKSWXTAEYGEDKX-UHFFFAOYSA-N 0 0 305.324 3.221 20 10 DGCDRN CO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(C(C)=O)c2[O-])C12CCC2 ZINC000839189654 621346304 /nfs/dbraw/zinc/34/63/04/621346304.db2.gz BHAKAHVSWZGGGG-GJZGRUSLSA-N 0 0 323.820 3.295 20 10 DGCDRN CO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(C(C)=O)c2[O-])C12CCC2 ZINC000839189657 621346452 /nfs/dbraw/zinc/34/64/52/621346452.db2.gz BHAKAHVSWZGGGG-HUUCEWRRSA-N 0 0 323.820 3.295 20 10 DGCDRN Cc1ccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)nn1 ZINC000839469872 621379168 /nfs/dbraw/zinc/37/91/68/621379168.db2.gz JMODQXANLXABLX-UHFFFAOYSA-N 0 0 324.428 3.048 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2nc3c(s2)CCCC3)c1 ZINC000860268423 621388375 /nfs/dbraw/zinc/38/83/75/621388375.db2.gz NTNGFROVQLRAHQ-UHFFFAOYSA-N 0 0 317.414 3.358 20 10 DGCDRN CO[C@@H]1CCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC000752472616 621394587 /nfs/dbraw/zinc/39/45/87/621394587.db2.gz OIIGUTGOTRYLKR-QGZVFWFLSA-N 0 0 312.413 3.263 20 10 DGCDRN Oc1ccc2c(c1CNc1ncnc3ccncc31)CCCC2 ZINC000752638042 621402880 /nfs/dbraw/zinc/40/28/80/621402880.db2.gz JHRAHDJOSSFELO-UHFFFAOYSA-N 0 0 306.369 3.221 20 10 DGCDRN CC[C@H](CNC(=O)C1=CC(=O)CS1)Oc1ccccc1C ZINC000752815135 621411664 /nfs/dbraw/zinc/41/16/64/621411664.db2.gz BCHAPAQZECXAOK-CYBMUJFWSA-N 0 0 305.399 3.350 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC=CCC2)cc1 ZINC000860646255 621427896 /nfs/dbraw/zinc/42/78/96/621427896.db2.gz COFQYORFTZDBFQ-UHFFFAOYSA-N 0 0 322.408 3.238 20 10 DGCDRN CN(Cc1cc[nH]n1)Cc1ccc(OCc2ccccc2)cc1O ZINC000753541117 621447373 /nfs/dbraw/zinc/44/73/73/621447373.db2.gz HFZCEHGNHNPTGE-UHFFFAOYSA-N 0 0 323.396 3.326 20 10 DGCDRN Cc1ccnn1CC(=O)Oc1ccc2c(c1)c1c(n2C)CCCC1 ZINC000860847750 621449811 /nfs/dbraw/zinc/44/98/11/621449811.db2.gz QZXZYIINIHOQPO-UHFFFAOYSA-N 0 0 323.396 3.168 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)c1ccsc1 ZINC000753639781 621457106 /nfs/dbraw/zinc/45/71/06/621457106.db2.gz CQNWHCLAKAHEFV-QWRGUYRKSA-N 0 0 305.399 3.010 20 10 DGCDRN CCC/C(C)=C/C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000753731251 621462517 /nfs/dbraw/zinc/46/25/17/621462517.db2.gz KUADEXKOKXPIKC-WYMLVPIESA-N 0 0 320.408 3.229 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2cc3cc(F)ccc3o2)c1 ZINC000117983028 621479463 /nfs/dbraw/zinc/47/94/63/621479463.db2.gz OISKXTVNKZSLSS-UHFFFAOYSA-N 0 0 315.300 3.216 20 10 DGCDRN COc1ccc(N(C)Cc2ccnc(N(C)C)c2)cc1Cl ZINC000754061625 621483920 /nfs/dbraw/zinc/48/39/20/621483920.db2.gz LZHLSMDHHJBHFG-UHFFFAOYSA-N 0 0 305.809 3.446 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C2(OC)CCCC2)cc1F ZINC000754223080 621497589 /nfs/dbraw/zinc/49/75/89/621497589.db2.gz GFSQTQIDCNZACH-UHFFFAOYSA-N 0 0 322.424 3.247 20 10 DGCDRN Cc1ccc(/C=C\C(=O)N2C[C@@H](C)Oc3cc(F)ccc32)cn1 ZINC000754308179 621502287 /nfs/dbraw/zinc/50/22/87/621502287.db2.gz NOSNWRWCJVUQGL-DMTLFAOVSA-N 0 0 312.344 3.356 20 10 DGCDRN Cc1ccc(/C=C/C(=O)N2CCOc3ccc(Cl)cc32)cn1 ZINC000754322073 621503106 /nfs/dbraw/zinc/50/31/06/621503106.db2.gz WVPGPIYDVGPNIO-QPJJXVBHSA-N 0 0 314.772 3.482 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000861379117 621510531 /nfs/dbraw/zinc/51/05/31/621510531.db2.gz FYOIULATFUBXLW-BWTSREIZSA-N 0 0 322.408 3.435 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(OC)CCCC1 ZINC000754649503 621522500 /nfs/dbraw/zinc/52/25/00/621522500.db2.gz MMHKFVKCAITSFC-UHFFFAOYSA-N 0 0 304.434 3.060 20 10 DGCDRN Cc1ccc(C(=O)OCCCOCc2ccccc2)c(O)c1O ZINC000754805850 621534210 /nfs/dbraw/zinc/53/42/10/621534210.db2.gz FPERPWXEIYDQOJ-UHFFFAOYSA-N 0 0 316.353 3.170 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2C[C@@H](C)[C@@H]2C)cc1 ZINC000861836288 621540075 /nfs/dbraw/zinc/54/00/75/621540075.db2.gz FKUUGJKUECSECB-HIFRSBDPSA-N 0 0 324.424 3.316 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1C[C@H](C)[C@@H]1C ZINC000861836924 621540104 /nfs/dbraw/zinc/54/01/04/621540104.db2.gz NOTQFGLFESJLDC-JSGCOSHPSA-N 0 0 310.397 3.387 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2C[C@@H](C)[C@H]2C)cc1 ZINC000861836291 621540177 /nfs/dbraw/zinc/54/01/77/621540177.db2.gz FKUUGJKUECSECB-UKRRQHHQSA-N 0 0 324.424 3.316 20 10 DGCDRN C[C@@H]1CN(C(=O)C2=CC(=O)CS2)[C@H](c2ccccc2)CO1 ZINC000754907761 621540729 /nfs/dbraw/zinc/54/07/29/621540729.db2.gz PCOFYEPJLPPLKY-RISCZKNCSA-N 0 0 303.383 3.056 20 10 DGCDRN CCC1(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)COC1 ZINC000755083776 621550830 /nfs/dbraw/zinc/55/08/30/621550830.db2.gz OSJXVPYUBFDIQZ-UHFFFAOYSA-N 0 0 316.445 3.062 20 10 DGCDRN CC(C)(C)OCCCC(=O)NCc1ccc2cccnc2c1O ZINC000862026569 621551178 /nfs/dbraw/zinc/55/11/78/621551178.db2.gz STMGTVQFQKCBDE-UHFFFAOYSA-N 0 0 316.401 3.152 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)[C@@H]1CCCCC1(F)F ZINC000862026672 621551259 /nfs/dbraw/zinc/55/12/59/621551259.db2.gz WNQIEPFRFYFCML-ZDUSSCGKSA-N 0 0 320.339 3.382 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCCC23CC3)cc1 ZINC000862128253 621556869 /nfs/dbraw/zinc/55/68/69/621556869.db2.gz CIKBAAPEHNZNED-QGZVFWFLSA-N 0 0 316.445 3.170 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H]2C=CCC2)cc1 ZINC000862172712 621560214 /nfs/dbraw/zinc/56/02/14/621560214.db2.gz GTGWSXWDNBUBBZ-SFHVURJKSA-N 0 0 322.408 3.284 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@@H]3C[C@@H]3C2)c1 ZINC000862218958 621562972 /nfs/dbraw/zinc/56/29/72/621562972.db2.gz PGQODMGNXLMISS-NVXWUHKLSA-N 0 0 322.408 3.389 20 10 DGCDRN COC[C@@H](C)CC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000755342038 621567355 /nfs/dbraw/zinc/56/73/55/621567355.db2.gz HPBMKNAQGFMORE-INIZCTEOSA-N 0 0 318.461 3.212 20 10 DGCDRN CN(C)c1cc(F)c(CN2CCC(OCC3CC3)CC2)cc1F ZINC000862249324 621567477 /nfs/dbraw/zinc/56/74/77/621567477.db2.gz LHYPTFZERIOHGK-UHFFFAOYSA-N 0 0 324.415 3.422 20 10 DGCDRN C[C@H]1CCN(Cc2c(O)cccc2Br)C[C@H]1F ZINC000862302134 621573122 /nfs/dbraw/zinc/57/31/22/621573122.db2.gz XFJZYEUWWDZTCH-JOYOIKCWSA-N 0 0 302.187 3.335 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)C(C)(C)COC)cc1 ZINC000755440825 621573377 /nfs/dbraw/zinc/57/33/77/621573377.db2.gz MVLPRISPJZAQOH-UHFFFAOYSA-N 0 0 306.450 3.164 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cccc2nccnc21 ZINC000755492837 621575812 /nfs/dbraw/zinc/57/58/12/621575812.db2.gz KWJOCFSDROKDCZ-UHFFFAOYSA-N 0 0 321.380 3.388 20 10 DGCDRN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1O ZINC000755516942 621577289 /nfs/dbraw/zinc/57/72/89/621577289.db2.gz WCAWLKQKOFXFBM-BENRWUELSA-N 0 0 312.325 3.020 20 10 DGCDRN CC[C@H](C)[N@H+](CCO)Cc1cc(C)cc(Br)c1[O-] ZINC000862388179 621582747 /nfs/dbraw/zinc/58/27/47/621582747.db2.gz XOYMVYRJOBEJSG-NSHDSACASA-N 0 0 316.239 3.056 20 10 DGCDRN CC[C@@H](C)[N@H+](CCO)Cc1cc(C)cc(Br)c1[O-] ZINC000862388178 621582985 /nfs/dbraw/zinc/58/29/85/621582985.db2.gz XOYMVYRJOBEJSG-LLVKDONJSA-N 0 0 316.239 3.056 20 10 DGCDRN C[C@H]1CC2(C[N@@H+]1Cc1cc(F)c(N(C)C)cc1F)CCOCC2 ZINC000862400024 621585242 /nfs/dbraw/zinc/58/52/42/621585242.db2.gz KRNXQDSTUCYBDP-ZDUSSCGKSA-N 0 0 324.415 3.422 20 10 DGCDRN Cn1cc(CCC(=O)NCc2ccccc2O)c2ccccc21 ZINC000755771236 621592600 /nfs/dbraw/zinc/59/26/00/621592600.db2.gz ZJLPKBPZUKIBGE-UHFFFAOYSA-N 0 0 308.381 3.133 20 10 DGCDRN Cc1cc(C2([NH2+]Cc3cccc(Cl)c3[O-])CCOCC2)on1 ZINC000862541952 621599217 /nfs/dbraw/zinc/59/92/17/621599217.db2.gz AQUYFPGYRQECQD-UHFFFAOYSA-N 0 0 322.792 3.138 20 10 DGCDRN COC(=O)c1sccc1CN1CCc2cc(OC)ccc21 ZINC000755922059 621603772 /nfs/dbraw/zinc/60/37/72/621603772.db2.gz QRFTUSDEXHBWBV-UHFFFAOYSA-N 0 0 303.383 3.106 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)c2cnn(C)c2)cc1 ZINC000119054822 621612010 /nfs/dbraw/zinc/61/20/10/621612010.db2.gz KYLWVHRXNVAOAD-HNNXBMFYSA-N 0 0 322.412 3.319 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CCc3cc(C)ccc3O2)c1 ZINC000862756443 621613890 /nfs/dbraw/zinc/61/38/90/621613890.db2.gz YJTWJTHHUNEWCQ-GOSISDBHSA-N 0 0 311.381 3.019 20 10 DGCDRN Cc1cc(C(=O)NCc2cc(C)ccc2O)nn1[C@H](C)C1CC1 ZINC000862757046 621613954 /nfs/dbraw/zinc/61/39/54/621613954.db2.gz FKCUCQIDPRLZDP-CYBMUJFWSA-N 0 0 313.401 3.107 20 10 DGCDRN CC[C@@H]1CCCC[C@H]1OCC(=O)NCc1cc(C)ccc1O ZINC000862757295 621613995 /nfs/dbraw/zinc/61/39/95/621613995.db2.gz OGDJOVJCEUAWAT-RHSMWYFYSA-N 0 0 305.418 3.302 20 10 DGCDRN CC[C@H](OC1CCCCC1)C(=O)NCc1cc(C)ccc1O ZINC000862757760 621614238 /nfs/dbraw/zinc/61/42/38/621614238.db2.gz DIDGUIDATPQFFF-KRWDZBQOSA-N 0 0 305.418 3.445 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2SCCc3ccccc32)c1 ZINC000862759613 621614241 /nfs/dbraw/zinc/61/42/41/621614241.db2.gz HDYDULJAFMZORL-QGZVFWFLSA-N 0 0 313.422 3.347 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2csc(C(C)(C)C)n2)c1 ZINC000862758550 621614261 /nfs/dbraw/zinc/61/42/61/621614261.db2.gz CPEYBOVSHSXEPG-UHFFFAOYSA-N 0 0 304.415 3.385 20 10 DGCDRN COc1ccccc1C(C)(C)C(=O)NCc1cc(C)ccc1O ZINC000862758772 621614270 /nfs/dbraw/zinc/61/42/70/621614270.db2.gz KPNNSWYZKGSOGL-UHFFFAOYSA-N 0 0 313.397 3.303 20 10 DGCDRN Cc1nn(C(C)(C)C)c(C)c1C(=O)NCc1cc(C)ccc1O ZINC000862758654 621614300 /nfs/dbraw/zinc/61/43/00/621614300.db2.gz FUHXPRGQZWSYKG-UHFFFAOYSA-N 0 0 315.417 3.199 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CC2CC(OC(C)(C)C)C2)c1 ZINC000862757572 621614307 /nfs/dbraw/zinc/61/43/07/621614307.db2.gz YVXGOHRXJZJFDD-UHFFFAOYSA-N 0 0 305.418 3.301 20 10 DGCDRN CC[C@H](C)n1nc(C(=O)NCc2cc(C)ccc2O)cc1C ZINC000862757563 621614324 /nfs/dbraw/zinc/61/43/24/621614324.db2.gz YQZMVLUWALYZES-LBPRGKRZSA-N 0 0 301.390 3.107 20 10 DGCDRN Cc1cc(C(=O)N2CC3(C2)CCCO3)c(C)n1-c1cccc(C)c1 ZINC000862820299 621620579 /nfs/dbraw/zinc/62/05/79/621620579.db2.gz BNGALFFGTUTHIC-UHFFFAOYSA-N 0 0 324.424 3.408 20 10 DGCDRN CC(C)(C[NH2+]Cc1ccc(N2CCCCC2)cc1)CC(=O)[O-] ZINC000756308945 621626770 /nfs/dbraw/zinc/62/67/70/621626770.db2.gz MTCBLPWSAWJDAX-UHFFFAOYSA-N 0 0 304.434 3.267 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]Cc2cc(C(=O)[O-])co2)cc1 ZINC000756309721 621626850 /nfs/dbraw/zinc/62/68/50/621626850.db2.gz YGINVBQVHNDDSY-UHFFFAOYSA-N 0 0 302.374 3.114 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(F)cc2)c1 ZINC000756339616 621629305 /nfs/dbraw/zinc/62/93/05/621629305.db2.gz DFGINXNJMKBTOT-NSHDSACASA-N 0 0 303.333 3.169 20 10 DGCDRN C[C@H]([NH2+]CCc1cccc(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756361440 621631101 /nfs/dbraw/zinc/63/11/01/621631101.db2.gz ZGVFBOHBDHCRJZ-NSHDSACASA-N 0 0 304.321 3.333 20 10 DGCDRN Cc1cc(C)n(CCC[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])n1 ZINC000756374166 621632763 /nfs/dbraw/zinc/63/27/63/621632763.db2.gz YNNDTPYUFKYKSO-GFCCVEGCSA-N 0 0 309.360 3.225 20 10 DGCDRN Cc1cc(C)cc([C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C(=O)[O-])c1 ZINC000756389817 621634290 /nfs/dbraw/zinc/63/42/90/621634290.db2.gz SMSNQXLSUNCRGE-GOSISDBHSA-N 0 0 311.381 3.154 20 10 DGCDRN C[C@@H]([NH2+]CCc1cn2ccccc2n1)c1cc(F)cc(F)c1[O-] ZINC000756391950 621634848 /nfs/dbraw/zinc/63/48/48/621634848.db2.gz IQADQFGNZWWSJE-LLVKDONJSA-N 0 0 317.339 3.211 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1cc(F)cc(F)c1[O-] ZINC000756455720 621639518 /nfs/dbraw/zinc/63/95/18/621639518.db2.gz ASAMIKGOIRVRID-RFAUZJTJSA-N 0 0 311.303 3.194 20 10 DGCDRN C[C@@H]([NH2+]Cc1cccc2c1OCO2)c1cc(F)cc(F)c1[O-] ZINC000756462841 621639975 /nfs/dbraw/zinc/63/99/75/621639975.db2.gz YFZCRBXZPKGNTI-SECBINFHSA-N 0 0 307.296 3.250 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(F)c(F)c2)c1 ZINC000756459810 621640151 /nfs/dbraw/zinc/64/01/51/621640151.db2.gz XNHLUGRTQHCALG-JTQLQIEISA-N 0 0 321.323 3.308 20 10 DGCDRN C[C@H]([NH2+]CCOc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756463809 621640200 /nfs/dbraw/zinc/64/02/00/621640200.db2.gz DJVCZBDLQJQTGT-NSHDSACASA-N 0 0 320.320 3.169 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](C)N1CCC(C)CC1)c1cc(F)cc(F)c1[O-] ZINC000756504017 621643087 /nfs/dbraw/zinc/64/30/87/621643087.db2.gz OPZGFTBMIGOZHY-CHWSQXEVSA-N 0 0 312.404 3.441 20 10 DGCDRN Cc1cc(CNC(=O)[C@H]2CCC(=O)C2)c(C)n1-c1ccccc1 ZINC000863163893 621644138 /nfs/dbraw/zinc/64/41/38/621644138.db2.gz SLSVEIPPRGNESS-HNNXBMFYSA-N 0 0 310.397 3.080 20 10 DGCDRN Cc1cc(CNC(=O)[C@H]2CO[C@H](C)C2)c(C)n1-c1ccccc1 ZINC000863164323 621644166 /nfs/dbraw/zinc/64/41/66/621644166.db2.gz GEOVHANJSJQWGW-RHSMWYFYSA-N 0 0 312.413 3.135 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756517146 621644412 /nfs/dbraw/zinc/64/44/12/621644412.db2.gz WBYRNNFQJHRIIO-LLVKDONJSA-N 0 0 314.341 3.086 20 10 DGCDRN Cc1cc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)nn1C ZINC000863165231 621644595 /nfs/dbraw/zinc/64/45/95/621644595.db2.gz OTCWSFTUYBZUOE-UHFFFAOYSA-N 0 0 322.412 3.066 20 10 DGCDRN COC(C)(C)C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000863165317 621644640 /nfs/dbraw/zinc/64/46/40/621644640.db2.gz SOYGPTLPWQZIMO-UHFFFAOYSA-N 0 0 300.402 3.135 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2Cc3ccccc32)c1 ZINC000756535842 621645746 /nfs/dbraw/zinc/64/57/46/621645746.db2.gz RUDPWPCKIPNHIK-DOMZBBRYSA-N 0 0 311.381 3.169 20 10 DGCDRN Cc1nccn1C[C@@H](C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756534212 621645964 /nfs/dbraw/zinc/64/59/64/621645964.db2.gz LFNQTEYWQHQTOV-QWRGUYRKSA-N 0 0 309.360 3.162 20 10 DGCDRN Cc1nc(C)c(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000756553680 621647833 /nfs/dbraw/zinc/64/78/33/621647833.db2.gz MSTPFXIHLLELOV-VIFPVBQESA-N 0 0 321.402 3.267 20 10 DGCDRN Cc1nc(C)c(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000756552749 621647986 /nfs/dbraw/zinc/64/79/86/621647986.db2.gz MSTPFXIHLLELOV-SECBINFHSA-N 0 0 321.402 3.267 20 10 DGCDRN Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756570317 621650071 /nfs/dbraw/zinc/65/00/71/621650071.db2.gz AMIYDXSZHNHNQK-IUCAKERBSA-N 0 0 305.334 3.317 20 10 DGCDRN Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756576280 621650533 /nfs/dbraw/zinc/65/05/33/621650533.db2.gz LXPPJZWTGVGGIF-MEDUHNTESA-N 0 0 307.340 3.363 20 10 DGCDRN C[C@H]([NH2+]CCC(=O)Nc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756575805 621650817 /nfs/dbraw/zinc/65/08/17/621650817.db2.gz QLDACWNLZIFUSO-NSHDSACASA-N 0 0 320.339 3.350 20 10 DGCDRN C[C@@H]([NH2+]CCCNc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756589549 621651369 /nfs/dbraw/zinc/65/13/69/621651369.db2.gz MFNHRWLDUXXEFK-CYBMUJFWSA-N 0 0 315.373 3.453 20 10 DGCDRN C[C@H](CCO)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756592394 621651652 /nfs/dbraw/zinc/65/16/52/621651652.db2.gz HYOCRAZIHIYRFN-SFYZADRCSA-N 0 0 322.630 3.230 20 10 DGCDRN C[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1cc(F)cc(F)c1[O-] ZINC000756593024 621651837 /nfs/dbraw/zinc/65/18/37/621651837.db2.gz LCSBISQCLLOSSG-RFAUZJTJSA-N 0 0 313.369 3.290 20 10 DGCDRN CC[C@H](CCO)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756602257 621652285 /nfs/dbraw/zinc/65/22/85/621652285.db2.gz DMEBNROQVBKATI-DTWKUNHWSA-N 0 0 320.202 3.105 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2c(C)cccc2F)c1 ZINC000756612471 621652538 /nfs/dbraw/zinc/65/25/38/621652538.db2.gz XDXCBNQLJDQCGU-GFCCVEGCSA-N 0 0 317.360 3.477 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCC(F)(F)F)c1 ZINC000756624056 621653237 /nfs/dbraw/zinc/65/32/37/621653237.db2.gz DELXTESGZAAEER-VIFPVBQESA-N 0 0 305.296 3.172 20 10 DGCDRN Cc1cccn2cc(CC[NH2+][C@H](C)c3ccc(F)cc3[O-])nc12 ZINC000756628355 621653597 /nfs/dbraw/zinc/65/35/97/621653597.db2.gz LPSOOYFIIGQQNG-CYBMUJFWSA-N 0 0 313.376 3.381 20 10 DGCDRN COC(=O)c1cc(CN(C)c2ccc3c(c2)OCO3)c(C)s1 ZINC000756655364 621656566 /nfs/dbraw/zinc/65/65/66/621656566.db2.gz QEKIRNKASNQBPC-UHFFFAOYSA-N 0 0 319.382 3.208 20 10 DGCDRN CN(Cc1ccc(-n2cccn2)cc1)c1ccc2c(c1)OCO2 ZINC000756654906 621656830 /nfs/dbraw/zinc/65/68/30/621656830.db2.gz OKRQGYFQKXPUCD-UHFFFAOYSA-N 0 0 307.353 3.237 20 10 DGCDRN C[C@H]([NH2+]Cc1cccc2c1OCCO2)c1ccc(F)cc1[O-] ZINC000756705825 621659050 /nfs/dbraw/zinc/65/90/50/621659050.db2.gz VSORQHXGVVBKDI-NSHDSACASA-N 0 0 303.333 3.153 20 10 DGCDRN C[C@@H]([NH2+]CC[C@H]1COc2ccccc2O1)c1ccc(F)cc1[O-] ZINC000756763265 621663011 /nfs/dbraw/zinc/66/30/11/621663011.db2.gz WIPUAERFZWJMEE-OCCSQVGLSA-N 0 0 317.360 3.412 20 10 DGCDRN C[C@H]([NH2+]Cc1ccn(C)n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756777802 621663696 /nfs/dbraw/zinc/66/36/96/621663696.db2.gz LDRSVLOSMAHPFD-QMMMGPOBSA-N 0 0 300.189 3.283 20 10 DGCDRN CC(C)CC1(CNC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000756808907 621666335 /nfs/dbraw/zinc/66/63/35/621666335.db2.gz LYFLDQRQBWGNJK-UHFFFAOYSA-N 0 0 303.450 3.378 20 10 DGCDRN Cc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccccc3)[n-]2)c(O)c1 ZINC000756866811 621668945 /nfs/dbraw/zinc/66/89/45/621668945.db2.gz DPLVLNDTXZOGPT-CYBMUJFWSA-N 0 0 308.385 3.337 20 10 DGCDRN CC[C@@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000863547725 621682914 /nfs/dbraw/zinc/68/29/14/621682914.db2.gz WQGGQLHOTVELIB-XXILOJSOSA-N 0 0 303.233 3.490 20 10 DGCDRN CN(CC(=O)N(C)[C@@H]1CCCc2ccccc21)c1ccc(N)cc1 ZINC000863557239 621683527 /nfs/dbraw/zinc/68/35/27/621683527.db2.gz KGHRLSQGVRMFCN-LJQANCHMSA-N 0 0 323.440 3.241 20 10 DGCDRN CCN(Cc1cc(OC)cc(C)n1)c1ccc(OC)c(OC)c1 ZINC000757085275 621685632 /nfs/dbraw/zinc/68/56/32/621685632.db2.gz VEAUNBYGYIGODA-UHFFFAOYSA-N 0 0 316.401 3.442 20 10 DGCDRN CN1CCCc2cc(CNC(=O)NC(C)(C)C3CC3)ccc21 ZINC000757196331 621692434 /nfs/dbraw/zinc/69/24/34/621692434.db2.gz VASLBQZGPJQRRU-UHFFFAOYSA-N 0 0 301.434 3.057 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2cccs2)c1 ZINC000103505076 621697693 /nfs/dbraw/zinc/69/76/93/621697693.db2.gz QXZKGEOCJUOWNM-SNVBAGLBSA-N 0 0 306.387 3.023 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCc2cccs2)c1 ZINC000103505255 621697806 /nfs/dbraw/zinc/69/78/06/621697806.db2.gz INLMAGGWJLYEHO-LLVKDONJSA-N 0 0 320.414 3.065 20 10 DGCDRN COc1cc2c(c(OC)c1)N(CC1CCC(=O)CC1)CCC2 ZINC000839656130 621704162 /nfs/dbraw/zinc/70/41/62/621704162.db2.gz IBACWEIZNRCCEF-UHFFFAOYSA-N 0 0 303.402 3.216 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CC(C)(C)COC)cc1F ZINC000839677409 621710639 /nfs/dbraw/zinc/71/06/39/621710639.db2.gz RIZLJUNMLMTPRI-UHFFFAOYSA-N 0 0 324.440 3.351 20 10 DGCDRN Cc1cc(CNC(=O)CCc2cn[nH]c2)c(C)n1-c1ccccc1 ZINC000863941380 621719980 /nfs/dbraw/zinc/71/99/80/621719980.db2.gz YRGRJBMKTBBMAW-UHFFFAOYSA-N 0 0 322.412 3.066 20 10 DGCDRN Cc1cc(O)c(CNc2ccc(C(N)=O)c(F)c2)c(Cl)c1 ZINC000864003328 621725689 /nfs/dbraw/zinc/72/56/89/621725689.db2.gz MFASEGDTKMFNDB-UHFFFAOYSA-N 0 0 308.740 3.204 20 10 DGCDRN COc1ccc(O)c([C@H](C)Nc2cccc(-n3nccn3)c2)c1 ZINC000864021557 621728459 /nfs/dbraw/zinc/72/84/59/621728459.db2.gz CZBRMSNSYOWKDH-LBPRGKRZSA-N 0 0 310.357 3.155 20 10 DGCDRN COCC[C@H](Cc1ccco1)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000757658167 621731503 /nfs/dbraw/zinc/73/15/03/621731503.db2.gz WQDBAWLFGGJICN-TZMCWYRMSA-N 0 0 307.365 3.423 20 10 DGCDRN CCc1cccc(CN2CCO[C@@](C)(C(F)(F)F)C2)c1O ZINC000864054674 621732682 /nfs/dbraw/zinc/73/26/82/621732682.db2.gz YOPXVNSVHFEFLD-CQSZACIVSA-N 0 0 303.324 3.108 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](C)c1nccs1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000757701289 621734613 /nfs/dbraw/zinc/73/46/13/621734613.db2.gz YHVJVTKXBFPCGZ-VHSXEESVSA-N 0 0 307.375 3.211 20 10 DGCDRN COc1ccc(N(C)CC(=O)N(C)[C@@H](C)CC(C)C)cc1F ZINC000757852167 621742849 /nfs/dbraw/zinc/74/28/49/621742849.db2.gz WYEITEVFEIKGAF-ZDUSSCGKSA-N 0 0 310.413 3.164 20 10 DGCDRN COC(=O)c1ccoc1CN(C)c1ccc(OC)c(Cl)c1 ZINC000757856559 621743340 /nfs/dbraw/zinc/74/33/40/621743340.db2.gz LJBMZMPHJQHUPS-UHFFFAOYSA-N 0 0 309.749 3.365 20 10 DGCDRN COc1ccc(N(C)CC(=O)Nc2c(F)cccc2F)cc1F ZINC000757852653 621743505 /nfs/dbraw/zinc/74/35/05/621743505.db2.gz PXQREMNXZNFGDM-UHFFFAOYSA-N 0 0 324.302 3.187 20 10 DGCDRN COc1ccc(C[N@H+](C)Cc2cc(Cl)cc(F)c2[O-])cn1 ZINC000757918225 621746738 /nfs/dbraw/zinc/74/67/38/621746738.db2.gz YEXVUCBRSIRXGG-UHFFFAOYSA-N 0 0 310.756 3.220 20 10 DGCDRN O=C(NC[C@H](O)c1cc2ccccc2s1)C1=CC(=O)CS1 ZINC000758332543 621775508 /nfs/dbraw/zinc/77/55/08/621775508.db2.gz UMLSUCSLTNHDSS-NSHDSACASA-N 0 0 319.407 3.132 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CC12CCCC2 ZINC000758369943 621778006 /nfs/dbraw/zinc/77/80/06/621778006.db2.gz VQRSKGQRIKSLCM-QGZVFWFLSA-N 0 0 313.445 3.419 20 10 DGCDRN CCOC(=O)/C(=C\c1cnc(C(C)C)s1)c1nccn1C ZINC000758428656 621781278 /nfs/dbraw/zinc/78/12/78/621781278.db2.gz FLZXHIRDPSHYGM-WQLSENKSSA-N 0 0 305.403 3.104 20 10 DGCDRN CN(C)c1ccc(CNc2cccnc2-n2cccn2)cc1F ZINC000758457378 621783365 /nfs/dbraw/zinc/78/33/65/621783365.db2.gz NPLPJQJZZIZTIW-UHFFFAOYSA-N 0 0 311.364 3.085 20 10 DGCDRN CCc1cnc(NCc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000758455492 621783440 /nfs/dbraw/zinc/78/34/40/621783440.db2.gz ROSZSGZNMDYSCN-UHFFFAOYSA-N 0 0 321.421 3.293 20 10 DGCDRN CC[C@]1(C)CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000758485931 621784828 /nfs/dbraw/zinc/78/48/28/621784828.db2.gz KSINVOHEDYTAIY-DBWMJRBXSA-N 0 0 318.373 3.407 20 10 DGCDRN COc1ccc(COC(=O)c2cccc(O)c2O)cc1Cl ZINC000758560518 621789488 /nfs/dbraw/zinc/78/94/88/621789488.db2.gz LYUGNJQBFDEDRQ-UHFFFAOYSA-N 0 0 308.717 3.117 20 10 DGCDRN CCOCCCCCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000864633841 621794720 /nfs/dbraw/zinc/79/47/20/621794720.db2.gz MTNORMWCRSFKQK-UHFFFAOYSA-N 0 0 306.450 3.308 20 10 DGCDRN CC1(CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000805171336 621800711 /nfs/dbraw/zinc/80/07/11/621800711.db2.gz NTGSQVCHZJSKKB-UHFFFAOYSA-N 0 0 303.189 3.298 20 10 DGCDRN Cc1cccnc1/C=C/C(=O)NCc1ccc(N(C)C)cc1C ZINC000759096299 621824433 /nfs/dbraw/zinc/82/44/33/621824433.db2.gz TXEGLIDGNUVMPY-MDZDMXLPSA-N 0 0 309.413 3.094 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)C(F)(F)c1ccccc1F ZINC000759213757 621837677 /nfs/dbraw/zinc/83/76/77/621837677.db2.gz RBUUBZXHRWNOSV-UHFFFAOYSA-N 0 0 309.287 3.282 20 10 DGCDRN CCOC(C)(C)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000865032074 621849154 /nfs/dbraw/zinc/84/91/54/621849154.db2.gz RHUSILOQASOJMT-UHFFFAOYSA-N 0 0 304.434 3.108 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OC[C@H]1CCc2ccccc2C1 ZINC000759589788 621873663 /nfs/dbraw/zinc/87/36/63/621873663.db2.gz SUSAAVNMNULICY-XMELGKRDSA-N 0 0 324.376 3.459 20 10 DGCDRN CC[C@@]1(C)CCN(C(=O)NCCCSc2nccs2)C1 ZINC000759591079 621873695 /nfs/dbraw/zinc/87/36/95/621873695.db2.gz UOHXDODYQCYHCB-AWEZNQCLSA-N 0 0 313.492 3.457 20 10 DGCDRN C[C@@H](NC(=S)NCCc1cccs1)c1ccccc1O ZINC000865269719 621886219 /nfs/dbraw/zinc/88/62/19/621886219.db2.gz XODJHZPMPNAAGX-LLVKDONJSA-N 0 0 306.456 3.222 20 10 DGCDRN CCCC1(CNC(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000759774975 621888992 /nfs/dbraw/zinc/88/89/92/621888992.db2.gz RZGLFQJCGVNILN-UHFFFAOYSA-N 0 0 307.413 3.271 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCC[C@@H](C)CO ZINC000759890492 621900193 /nfs/dbraw/zinc/90/01/93/621900193.db2.gz VQCVVNBGOZZXIG-GFCCVEGCSA-N 0 0 320.458 3.294 20 10 DGCDRN CC(C)Oc1ccc(N(C)C[C@H](O)COc2ccccc2)cc1 ZINC000759929365 621903138 /nfs/dbraw/zinc/90/31/38/621903138.db2.gz VBWOUFWFVVSJJG-KRWDZBQOSA-N 0 0 315.413 3.350 20 10 DGCDRN COc1cc(F)cc(OC)c1CNCc1ccc(N(C)C)cc1 ZINC000865405121 621911846 /nfs/dbraw/zinc/91/18/46/621911846.db2.gz WXUFRMUTTVMDJN-UHFFFAOYSA-N 0 0 318.392 3.199 20 10 DGCDRN Cn1c2ccncc2nc1NCc1ccc(N2CCCC2)cc1 ZINC000865442944 621922889 /nfs/dbraw/zinc/92/28/89/621922889.db2.gz QXONMNCOACCXOZ-UHFFFAOYSA-N 0 0 307.401 3.181 20 10 DGCDRN CCO[C@H](CC(=O)NCCCSc1nccs1)C(C)C ZINC000760586046 621952493 /nfs/dbraw/zinc/95/24/93/621952493.db2.gz SJYNGVPQSQUGCW-GFCCVEGCSA-N 0 0 316.492 3.193 20 10 DGCDRN CCOc1cccc(CNc2cccc(-c3nnco3)c2)c1O ZINC000120664292 621967374 /nfs/dbraw/zinc/96/73/74/621967374.db2.gz KZEJJUZSJRTARG-UHFFFAOYSA-N 0 0 311.341 3.453 20 10 DGCDRN Cc1cnc(CN2CCCc3cc(OC(F)F)ccc32)nc1 ZINC000760850899 621968124 /nfs/dbraw/zinc/96/81/24/621968124.db2.gz IFYWTKVPSSWHET-UHFFFAOYSA-N 0 0 305.328 3.339 20 10 DGCDRN COc1ccc(C[C@@H](C)CNC(=O)C2=CC(=O)CS2)cc1 ZINC000760855630 621968946 /nfs/dbraw/zinc/96/89/46/621968946.db2.gz FQPLHLRGLCRWAU-LLVKDONJSA-N 0 0 305.399 3.071 20 10 DGCDRN CCN(CCC1CC1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000760992129 621978257 /nfs/dbraw/zinc/97/82/57/621978257.db2.gz OVUJOWNJXKZUFF-UHFFFAOYSA-N 0 0 315.461 3.401 20 10 DGCDRN CC(C)CCCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761003097 621979060 /nfs/dbraw/zinc/97/90/60/621979060.db2.gz HLTLPNAHNQZMQB-UHFFFAOYSA-N 0 0 324.808 3.246 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000865777009 621993124 /nfs/dbraw/zinc/99/31/24/621993124.db2.gz BMJNWOZGODECDC-NSHDSACASA-N 0 0 313.800 3.481 20 10 DGCDRN CCC(CC)[C@@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000761197289 621993180 /nfs/dbraw/zinc/99/31/80/621993180.db2.gz RJXRCLZATVVTSE-OAHLLOKOSA-N 0 0 318.461 3.416 20 10 DGCDRN O=C(NCCCSc1nccs1)C1(C(F)F)CCC1 ZINC000865784493 621994921 /nfs/dbraw/zinc/99/49/21/621994921.db2.gz ZELMBVKQEZQSBF-UHFFFAOYSA-N 0 0 306.403 3.177 20 10 DGCDRN CCOc1ccc(O)c(CN(C)c2ccc(OC)c(OC)c2)c1 ZINC000761223126 621995538 /nfs/dbraw/zinc/99/55/38/621995538.db2.gz XNVPFCDIIVQWBG-UHFFFAOYSA-N 0 0 317.385 3.445 20 10 DGCDRN COc1cccc(CNc2cccc3c2OCCCO3)c1O ZINC000865853529 622008470 /nfs/dbraw/zinc/00/84/70/622008470.db2.gz WKMYZQXHKXNBRG-UHFFFAOYSA-N 0 0 301.342 3.174 20 10 DGCDRN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)[C@@H](C)N(C2CCC2)C1=O ZINC000761576050 622018506 /nfs/dbraw/zinc/01/85/06/622018506.db2.gz AEJSFJRZHLGZTJ-CHWSQXEVSA-N 0 0 315.417 3.019 20 10 DGCDRN CCCN1C(=O)N([C@H](C)c2ccc(N(C)C)cc2)C(=O)[C@H]1CC ZINC000761577307 622019012 /nfs/dbraw/zinc/01/90/12/622019012.db2.gz GBIMFAPVUSMQFR-CZUORRHYSA-N 0 0 317.433 3.266 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cnc2ccccn12 ZINC000761708348 622025703 /nfs/dbraw/zinc/02/57/03/622025703.db2.gz AYGZXUYYMMQGRW-UHFFFAOYSA-N 0 0 309.369 3.092 20 10 DGCDRN Cc1nc(NC(=O)NCCCSc2nccs2)cs1 ZINC000762229974 622064064 /nfs/dbraw/zinc/06/40/64/622064064.db2.gz XFYIQZOVEYMMMX-UHFFFAOYSA-N 0 0 314.461 3.212 20 10 DGCDRN CCC[C@H](O)CNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000762423262 622074405 /nfs/dbraw/zinc/07/44/05/622074405.db2.gz IBJVSCQZGUQOLQ-INIZCTEOSA-N 0 0 314.429 3.293 20 10 DGCDRN O=C([C@H]1CCSC1)N(Cc1ccco1)Cc1ccccc1O ZINC000762540787 622082412 /nfs/dbraw/zinc/08/24/12/622082412.db2.gz TXSSKJSLUOIGOG-AWEZNQCLSA-N 0 0 317.410 3.267 20 10 DGCDRN Cc1sc(Cl)nc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000762836312 622104239 /nfs/dbraw/zinc/10/42/39/622104239.db2.gz AWROTJQRVCRIJY-UHFFFAOYSA-N 0 0 309.822 3.101 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@H](C)CCO ZINC000763005696 622115948 /nfs/dbraw/zinc/11/59/48/622115948.db2.gz IXXRNIWMJXGLAG-CQSZACIVSA-N 0 0 314.429 3.151 20 10 DGCDRN C[C@H]([NH2+]CC[C@@H](O)C(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000866442258 622118552 /nfs/dbraw/zinc/11/85/52/622118552.db2.gz HYGCRZWVGNZEBW-OIBJUYFYSA-N 0 0 313.266 3.078 20 10 DGCDRN Fc1ccc(CNC(=S)Nc2ccc(F)c(Cl)c2)nc1 ZINC000763165350 622127104 /nfs/dbraw/zinc/12/71/04/622127104.db2.gz GKWASJRHLKNFOC-UHFFFAOYSA-N 0 0 313.760 3.500 20 10 DGCDRN Cc1ccc([C@H](C)[NH2+]CCc2cn(C)c3ncccc23)c(O)c1 ZINC000866574520 622141282 /nfs/dbraw/zinc/14/12/82/622141282.db2.gz WNBCURCTAXHYFN-AWEZNQCLSA-N 0 0 309.413 3.481 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1cccnc1Cl ZINC000866598995 622144462 /nfs/dbraw/zinc/14/44/62/622144462.db2.gz XGKGMYKSIIPCLS-UHFFFAOYSA-N 0 0 318.804 3.422 20 10 DGCDRN CCCc1ccc(C(=O)NCCc2ccc(O)c(O)c2)s1 ZINC000866757344 622162627 /nfs/dbraw/zinc/16/26/27/622162627.db2.gz QKFAKAMXFZNBQL-UHFFFAOYSA-N 0 0 305.399 3.084 20 10 DGCDRN COCc1sccc1C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000866765674 622162954 /nfs/dbraw/zinc/16/29/54/622162954.db2.gz YOAWYOOWNCNQIA-JTQLQIEISA-N 0 0 321.398 3.100 20 10 DGCDRN COc1ccc(N(C)CC[S@@](=O)c2ccccc2)cc1F ZINC000121744150 622176926 /nfs/dbraw/zinc/17/69/26/622176926.db2.gz UNNUQUWGWIKAIW-NRFANRHFSA-N 0 0 307.390 3.078 20 10 DGCDRN COc1ccc(N(C)CC(=O)Nc2ccc(F)cc2F)cc1F ZINC000121743120 622177031 /nfs/dbraw/zinc/17/70/31/622177031.db2.gz OLIDXHXLWLZKET-UHFFFAOYSA-N 0 0 324.302 3.187 20 10 DGCDRN COc1ccc(N(C)Cc2cc3ccccc3[nH]c2=O)cc1F ZINC000121752052 622177293 /nfs/dbraw/zinc/17/72/93/622177293.db2.gz LQAUGUDWCXZCMW-UHFFFAOYSA-N 0 0 312.344 3.312 20 10 DGCDRN COc1ccc(N(C)CC(=O)N[C@H](C)c2ccccc2)cc1F ZINC000121756168 622177723 /nfs/dbraw/zinc/17/77/23/622177723.db2.gz BXWIMPVLOIQWGN-CYBMUJFWSA-N 0 0 316.376 3.148 20 10 DGCDRN CCOC(=O)[C@H](CC)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000764141320 622181752 /nfs/dbraw/zinc/18/17/52/622181752.db2.gz YRZZAZILOQGHNW-SFHVURJKSA-N 0 0 318.461 3.450 20 10 DGCDRN CCOC(=O)c1nc(CN(C)c2ccc(OC)c(F)c2)cs1 ZINC000121804834 622183798 /nfs/dbraw/zinc/18/37/98/622183798.db2.gz IEVIEAKXBBJGTB-UHFFFAOYSA-N 0 0 324.377 3.104 20 10 DGCDRN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCc1cccc(Br)c1O ZINC000867830517 622186710 /nfs/dbraw/zinc/18/67/10/622186710.db2.gz BBYNYTVLHRSFMD-KLHWPWHYSA-N 0 0 324.218 3.063 20 10 DGCDRN CNC(=O)c1cccc(CN(C)c2ccc(OC)c(Cl)c2)c1 ZINC000121873086 622187925 /nfs/dbraw/zinc/18/79/25/622187925.db2.gz SPUADUBERUKHJL-UHFFFAOYSA-N 0 0 318.804 3.345 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)COC/C=C\c1ccccc1 ZINC000764316644 622188157 /nfs/dbraw/zinc/18/81/57/622188157.db2.gz HWZWBEIYADYJMV-YFHOEESVSA-N 0 0 311.381 3.081 20 10 DGCDRN Cn1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)c1 ZINC000764324262 622188891 /nfs/dbraw/zinc/18/88/91/622188891.db2.gz MIYQCLPDRGXMSG-UHFFFAOYSA-N 0 0 310.353 3.166 20 10 DGCDRN Fc1cccc2c1CCN2Cc1ccc(N2CCOCC2)cc1 ZINC000764676604 622212894 /nfs/dbraw/zinc/21/28/94/622212894.db2.gz BTGGACSOZHOSMA-UHFFFAOYSA-N 0 0 312.388 3.225 20 10 DGCDRN C[C@@H](NC(=O)NCCO[C@@H]1CCCC[C@@H]1C)c1ccccc1O ZINC000868103155 622214222 /nfs/dbraw/zinc/21/42/22/622214222.db2.gz GDVYCTFSYRNHCN-JJRVBVJISA-N 0 0 320.433 3.348 20 10 DGCDRN Cc1ccc(CNC(=O)NCc2ccc(N3CCCC3)cc2)o1 ZINC000868112259 622215378 /nfs/dbraw/zinc/21/53/78/622215378.db2.gz KYTNMPPZPDQBDW-UHFFFAOYSA-N 0 0 313.401 3.188 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1C[C@@H]1c1cccc(F)c1)c1ccccc1O ZINC000868165224 622221037 /nfs/dbraw/zinc/22/10/37/622221037.db2.gz ZYEJTECMRHLWQG-XZJROXQQSA-N 0 0 314.360 3.448 20 10 DGCDRN CC(C)n1cc([C@@H](C)NC(=O)N[C@@H](C)c2ccccc2O)cn1 ZINC000868244017 622228145 /nfs/dbraw/zinc/22/81/45/622228145.db2.gz QJFVMNZDFQICFU-OLZOCXBDSA-N 0 0 316.405 3.291 20 10 DGCDRN Cc1ccc(/C=C2\SC(=S)N(c3cccnc3)C2=O)cn1 ZINC000764889112 622230300 /nfs/dbraw/zinc/23/03/00/622230300.db2.gz WEQKFNYACTWLBT-QPEQYQDCSA-N 0 0 313.407 3.191 20 10 DGCDRN CC(C)[C@H]1OCCC[C@H]1CNC(=O)N[C@@H](C)c1ccccc1O ZINC000868343111 622236534 /nfs/dbraw/zinc/23/65/34/622236534.db2.gz MGXSZSTYAIBCRV-GRDNDAEWSA-N 0 0 320.433 3.204 20 10 DGCDRN O=C(NCc1cccc(Br)c1O)Nc1ccccc1 ZINC000765209551 622252287 /nfs/dbraw/zinc/25/22/87/622252287.db2.gz AIGRSJDYVKMJGP-UHFFFAOYSA-N 0 0 321.174 3.476 20 10 DGCDRN C[C@H](NC(=O)N1C[C@@H]2CC=CC[C@@H]2C1)c1ccc(N(C)C)cc1 ZINC000868515937 622253275 /nfs/dbraw/zinc/25/32/75/622253275.db2.gz XGMHWMKTUPRYMI-BHYGNILZSA-N 0 0 313.445 3.421 20 10 DGCDRN O=C(C1=CC(=O)CS1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000765419672 622264383 /nfs/dbraw/zinc/26/43/83/622264383.db2.gz DAJAHUVYDCEQPU-UHFFFAOYSA-N 0 0 318.354 3.167 20 10 DGCDRN C[C@@H](NC(=O)NC[C@H]1CC12CCSCC2)c1ccccc1O ZINC000868715079 622276659 /nfs/dbraw/zinc/27/66/59/622276659.db2.gz JJCBCHWGANBPNX-CHWSQXEVSA-N 0 0 320.458 3.286 20 10 DGCDRN C[C@H](NC(=O)N[C@H](C1CC1)[C@H]1CCCCO1)c1ccccc1O ZINC000868750272 622280661 /nfs/dbraw/zinc/28/06/61/622280661.db2.gz ITHYMCUNPZZAPO-JCURWCKSSA-N 0 0 318.417 3.100 20 10 DGCDRN C[C@@H](NC(=O)NCC(F)(F)C(C)(C)C)c1ccccc1O ZINC000868790096 622285540 /nfs/dbraw/zinc/28/55/40/622285540.db2.gz ZBAUJOQDFWXPGP-SNVBAGLBSA-N 0 0 300.349 3.434 20 10 DGCDRN CCC[C@@H](C)C(=O)NCc1cccc(Br)c1O ZINC000765765872 622286000 /nfs/dbraw/zinc/28/60/00/622286000.db2.gz UFUGUUUXJIEDJT-SECBINFHSA-N 0 0 300.196 3.207 20 10 DGCDRN C[C@H](NC(=O)NCC[C@H]1CC1(Cl)Cl)c1ccccc1O ZINC000868796978 622286234 /nfs/dbraw/zinc/28/62/34/622286234.db2.gz ZNXDVGALXWXOTN-UWVGGRQHSA-N 0 0 317.216 3.336 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](CCO)C(C)C)cc1 ZINC000765850421 622291309 /nfs/dbraw/zinc/29/13/09/622291309.db2.gz VGFWZDVLBICOOQ-GOSISDBHSA-N 0 0 314.429 3.231 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1Cc2ccc(Br)cc2C1 ZINC000765867982 622292372 /nfs/dbraw/zinc/29/23/72/622292372.db2.gz XALFJAUIKIVESE-UHFFFAOYSA-N 0 0 324.199 3.372 20 10 DGCDRN CC(C)(C)OC1CCC(NC(=O)NCc2ccccc2O)CC1 ZINC000868924126 622300097 /nfs/dbraw/zinc/30/00/97/622300097.db2.gz JNNGDFPKQRBOSL-UHFFFAOYSA-N 0 0 320.433 3.318 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)CC2CCC2)c1 ZINC000868983468 622306129 /nfs/dbraw/zinc/30/61/29/622306129.db2.gz DXFRVSJITLUVRW-NEPJUHHUSA-N 0 0 306.406 3.340 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000766224103 622313490 /nfs/dbraw/zinc/31/34/90/622313490.db2.gz LMVSCQUCUAPTCF-GFCCVEGCSA-N 0 0 312.816 3.291 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)C1([C@H]2CCCCO2)CCC1 ZINC000869147686 622322014 /nfs/dbraw/zinc/32/20/14/622322014.db2.gz UEDYWBOQODVEID-OAHLLOKOSA-N 0 0 323.820 3.401 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cn1nccc1-c1ccncc1 ZINC000766341942 622323115 /nfs/dbraw/zinc/32/31/15/622323115.db2.gz UZXRJDCTSDHOBQ-UHFFFAOYSA-N 0 0 320.396 3.364 20 10 DGCDRN C[C@@H](NCc1ccon1)c1ccc(N2CCOCC2)cc1Cl ZINC000766420114 622328238 /nfs/dbraw/zinc/32/82/38/622328238.db2.gz IUNJHTHMRVWRKP-GFCCVEGCSA-N 0 0 321.808 3.015 20 10 DGCDRN COc1ccc(CNC(=S)Nc2cccc(C)c2C)nc1 ZINC000766511868 622335188 /nfs/dbraw/zinc/33/51/88/622335188.db2.gz CUIFCMRSKDIKFJ-UHFFFAOYSA-N 0 0 301.415 3.194 20 10 DGCDRN C[C@@H](NC(=O)NCc1ccccc1O)c1cccc(F)c1F ZINC000766561792 622339668 /nfs/dbraw/zinc/33/96/68/622339668.db2.gz ZJCUEXUIMSEMGR-SNVBAGLBSA-N 0 0 306.312 3.231 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)C2([C@@H]3CCCCO3)CCC2)c1 ZINC000869410282 622352653 /nfs/dbraw/zinc/35/26/53/622352653.db2.gz JNEBPPPBAZKHFZ-INIZCTEOSA-N 0 0 303.402 3.056 20 10 DGCDRN COC(=O)COc1ccc(N(C)Cc2cc3ccccc3[nH]2)cc1 ZINC000789749753 625561061 /nfs/dbraw/zinc/56/10/61/625561061.db2.gz VYKSVNKYIZCUIH-UHFFFAOYSA-N 0 0 324.380 3.356 20 10 DGCDRN [O-]c1c(Br)cccc1C[NH2+][C@@H]1CCCSC1 ZINC000129238131 625561555 /nfs/dbraw/zinc/56/15/55/625561555.db2.gz GFAFSLNWTZBNOK-SNVBAGLBSA-N 0 0 302.237 3.140 20 10 DGCDRN Cc1cc(Cl)cc(CN2C[C@@H](O)Cc3ccccc32)c1O ZINC000789761140 625561826 /nfs/dbraw/zinc/56/18/26/625561826.db2.gz BAQIEGVMNVIBRS-HNNXBMFYSA-N 0 0 303.789 3.278 20 10 DGCDRN COC(=O)c1oc([C@@H](C)OC(=O)C2=CC(=O)CS2)cc1C ZINC000767345010 622391474 /nfs/dbraw/zinc/39/14/74/622391474.db2.gz INZLAQONAPXITM-MRVPVSSYSA-N 0 0 310.327 3.060 20 10 DGCDRN O=C1CN(Cc2cc(-c3ccccc3)ccc2O)CN1CC1CC1 ZINC000789777104 625564919 /nfs/dbraw/zinc/56/49/19/625564919.db2.gz VRKGSQXONASNQU-UHFFFAOYSA-N 0 0 322.408 3.071 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(O)c(F)c1 ZINC000767876659 622425573 /nfs/dbraw/zinc/42/55/73/622425573.db2.gz RCUFQXMSVJIDKG-UHFFFAOYSA-N 0 0 316.376 3.260 20 10 DGCDRN Cc1cc(CN(Cc2ccco2)Cc2ccccc2O)nn1C ZINC000767899006 622426770 /nfs/dbraw/zinc/42/67/70/622426770.db2.gz KJTPJKQDBQNEKG-UHFFFAOYSA-N 0 0 311.385 3.230 20 10 DGCDRN C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cc(F)cc(F)c1[O-] ZINC000768237342 622446954 /nfs/dbraw/zinc/44/69/54/622446954.db2.gz JOXGOCVYOZOOOZ-PLVUELBSSA-N 0 0 309.356 3.279 20 10 DGCDRN CCOC(=O)CN(Cc1ccccc1)Cc1cc(C)ccc1O ZINC000768237359 622446960 /nfs/dbraw/zinc/44/69/60/622446960.db2.gz PQCUZOJCXKXRQL-UHFFFAOYSA-N 0 0 313.397 3.266 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)CC(F)(F)F)c1 ZINC000768270422 622448052 /nfs/dbraw/zinc/44/80/52/622448052.db2.gz AIGQPTHREQAEIN-BDAKNGLRSA-N 0 0 305.296 3.170 20 10 DGCDRN Cc1oc2ccccc2c1CNC(=O)c1ccc(C)c(O)c1O ZINC000768653456 622469331 /nfs/dbraw/zinc/46/93/31/622469331.db2.gz GEUYGLOWLAVJPF-UHFFFAOYSA-N 0 0 311.337 3.391 20 10 DGCDRN O=C(OCc1ccc(C(F)(F)F)cn1)C1=CC(=O)CS1 ZINC000768698744 622471913 /nfs/dbraw/zinc/47/19/13/622471913.db2.gz RBDWOIOEWDNGOF-UHFFFAOYSA-N 0 0 303.261 3.225 20 10 DGCDRN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)C1=CC(=O)CS1 ZINC000768731288 622473316 /nfs/dbraw/zinc/47/33/16/622473316.db2.gz CHKGDIXVXOYYNG-GFCCVEGCSA-N 0 0 317.410 3.312 20 10 DGCDRN O=C(NCc1cccc(-c2cccnc2)c1)C1=CC(=O)CS1 ZINC000768731528 622473444 /nfs/dbraw/zinc/47/34/44/622473444.db2.gz HPQJADJZNJOJGQ-UHFFFAOYSA-N 0 0 310.378 3.446 20 10 DGCDRN CCOC(=O)CN(Cc1ccc(N(CC)CC)cc1)C1CC1 ZINC000768753024 622474187 /nfs/dbraw/zinc/47/41/87/622474187.db2.gz JMEFUKWCPZSRKG-UHFFFAOYSA-N 0 0 304.434 3.060 20 10 DGCDRN CC1(C)CC(=O)c2cccc(NC(=O)C3=CC(=O)CS3)c2O1 ZINC000870770828 622508018 /nfs/dbraw/zinc/50/80/18/622508018.db2.gz XHNACJYWOUGVID-UHFFFAOYSA-N 0 0 317.366 3.450 20 10 DGCDRN Cc1cccc(C)c1OCCC(=O)N(C)Cc1ccccc1O ZINC000769282579 622513360 /nfs/dbraw/zinc/51/33/60/622513360.db2.gz NNOYSHKDMXHGHN-UHFFFAOYSA-N 0 0 313.397 3.437 20 10 DGCDRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccccc1O ZINC000769362829 622520762 /nfs/dbraw/zinc/52/07/62/622520762.db2.gz KNBMYMKUYVNVDZ-QGPMSJSTSA-N 0 0 319.445 3.486 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)CCO)c(C)n1-c1cccc(Cl)c1 ZINC000123365078 622521666 /nfs/dbraw/zinc/52/16/66/622521666.db2.gz DERVVLRGSANVFU-NSHDSACASA-N 0 0 320.820 3.248 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)CCO)c(C)n1-c1cccc(Cl)c1 ZINC000123365286 622521770 /nfs/dbraw/zinc/52/17/70/622521770.db2.gz DERVVLRGSANVFU-LLVKDONJSA-N 0 0 320.820 3.248 20 10 DGCDRN C[N@@H+]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C(C)(C)C1 ZINC000769446875 622528472 /nfs/dbraw/zinc/52/84/72/622528472.db2.gz OIAPVSXJGZIFIQ-UHFFFAOYSA-N 0 0 303.233 3.225 20 10 DGCDRN CCN(CC)c1ccc(CN2CCOC[C@H]2C2CC2)cc1F ZINC000769483690 622532961 /nfs/dbraw/zinc/53/29/61/622532961.db2.gz AKPOJRHDKHTCAX-SFHVURJKSA-N 0 0 306.425 3.283 20 10 DGCDRN CCOc1ccc(O)c(CN2CCC[C@@H]2C(=O)OC(C)(C)C)c1 ZINC000769499367 622534306 /nfs/dbraw/zinc/53/43/06/622534306.db2.gz SNFJEUDHFHWAEW-OAHLLOKOSA-N 0 0 321.417 3.097 20 10 DGCDRN CCOc1ccc(CN2CCC[C@@H]2C(=O)OC(C)(C)C)c(O)c1 ZINC000769498513 622534511 /nfs/dbraw/zinc/53/45/11/622534511.db2.gz JOFMJSUOQUMMLR-OAHLLOKOSA-N 0 0 321.417 3.097 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1nncn1-c1ccccc1 ZINC000769707478 622551625 /nfs/dbraw/zinc/55/16/25/622551625.db2.gz JKQBJEWVFVOOOX-UHFFFAOYSA-N 0 0 320.396 3.229 20 10 DGCDRN Cc1ccc([N+](=O)[O-])c(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000123495363 622551853 /nfs/dbraw/zinc/55/18/53/622551853.db2.gz YIMOYWIAVNMVJG-UHFFFAOYSA-N 0 0 304.325 3.115 20 10 DGCDRN CCOc1ccc(N(C)Cc2nncn2-c2ccccc2)cc1 ZINC000769728074 622554619 /nfs/dbraw/zinc/55/46/19/622554619.db2.gz JIPSAJXZELUTBB-UHFFFAOYSA-N 0 0 308.385 3.302 20 10 DGCDRN Cc1cccc(F)c1NNC(=S)Nc1ccc2c(c1)OCO2 ZINC000769763680 622558472 /nfs/dbraw/zinc/55/84/72/622558472.db2.gz NZYNLNXELVSBLD-UHFFFAOYSA-N 0 0 319.361 3.176 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](CO)C(C)(C)C)cc1 ZINC000769789897 622560345 /nfs/dbraw/zinc/56/03/45/622560345.db2.gz RWFFSQULWRPUQQ-KRWDZBQOSA-N 0 0 314.429 3.231 20 10 DGCDRN Cc1ccc(C(=O)CCC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871198545 622565475 /nfs/dbraw/zinc/56/54/75/622565475.db2.gz KHGCUILJJIONQR-UHFFFAOYSA-N 0 0 309.365 3.206 20 10 DGCDRN CC(C)(C)c1nc(C(=O)N2Cc3cccc(O)c3C2)cs1 ZINC000871200393 622566375 /nfs/dbraw/zinc/56/63/75/622566375.db2.gz BNQGEOREGVDWFZ-UHFFFAOYSA-N 0 0 302.399 3.302 20 10 DGCDRN Cc1cc(C)c(OCC(=O)N2Cc3cccc(O)c3C2)c(C)c1 ZINC000871199762 622566461 /nfs/dbraw/zinc/56/64/61/622566461.db2.gz UGLCCKYCMRMTDC-UHFFFAOYSA-N 0 0 311.381 3.239 20 10 DGCDRN CC(C)c1ncc(Cl)c(C(=O)N2Cc3cccc(O)c3C2)n1 ZINC000871201291 622566516 /nfs/dbraw/zinc/56/65/16/622566516.db2.gz SWNBXZMYWHKOSF-UHFFFAOYSA-N 0 0 317.776 3.115 20 10 DGCDRN O=C(CCC[C@H](O)c1ccccc1)N1Cc2cccc(O)c2C1 ZINC000871204130 622567182 /nfs/dbraw/zinc/56/71/82/622567182.db2.gz DBTRCXOFINNBSJ-KRWDZBQOSA-N 0 0 311.381 3.138 20 10 DGCDRN C[C@@]1(C(=O)N2Cc3cccc(O)c3C2)CCc2ccccc2C1 ZINC000871202714 622567211 /nfs/dbraw/zinc/56/72/11/622567211.db2.gz MBRWPGPCOGPHBT-HXUWFJFHSA-N 0 0 307.393 3.430 20 10 DGCDRN O=C([C@@H]1C[C@H]1c1c(F)cccc1F)N1Cc2cccc(O)c2C1 ZINC000871203369 622567219 /nfs/dbraw/zinc/56/72/19/622567219.db2.gz YXJODSSONOANLV-VXGBXAGGSA-N 0 0 315.319 3.316 20 10 DGCDRN CC[C@H](Oc1ccccc1F)C(=O)N1Cc2cccc(O)c2C1 ZINC000871202875 622567437 /nfs/dbraw/zinc/56/74/37/622567437.db2.gz HTEUSWIKXLTUSL-INIZCTEOSA-N 0 0 315.344 3.231 20 10 DGCDRN CC[C@@H](Oc1ccccc1C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871204324 622567826 /nfs/dbraw/zinc/56/78/26/622567826.db2.gz YAMAKFQHVPWUNE-QGZVFWFLSA-N 0 0 311.381 3.400 20 10 DGCDRN CCCn1ncc(C(=O)N2Cc3cccc(O)c3C2)c1C1CC1 ZINC000871204334 622567971 /nfs/dbraw/zinc/56/79/71/622567971.db2.gz YGVQPIWKLLUZRD-UHFFFAOYSA-N 0 0 311.385 3.032 20 10 DGCDRN CC1(C)Cc2cc(C(=O)N3Cc4cccc(O)c4C3)ccc2O1 ZINC000871205527 622568247 /nfs/dbraw/zinc/56/82/47/622568247.db2.gz GLCVRYLPYIAEPM-UHFFFAOYSA-N 0 0 309.365 3.262 20 10 DGCDRN CCCOc1nc(C)ccc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871204635 622568270 /nfs/dbraw/zinc/56/82/70/622568270.db2.gz MVSRDFRJCYTIKL-UHFFFAOYSA-N 0 0 312.369 3.040 20 10 DGCDRN CCc1cncc(C(=O)NCc2ccc(N(CC)CC)cc2)c1 ZINC000789899042 625578130 /nfs/dbraw/zinc/57/81/30/625578130.db2.gz PIPMRZSOLWHOGC-UHFFFAOYSA-N 0 0 311.429 3.420 20 10 DGCDRN COC(=O)CN(Cc1cc(-c2ccccc2)ccc1O)C1CC1 ZINC000770281045 622618107 /nfs/dbraw/zinc/61/81/07/622618107.db2.gz NOWQWJMFGHXPJG-UHFFFAOYSA-N 0 0 311.381 3.197 20 10 DGCDRN O=C(/C=C/c1cncc(F)c1)N1CCCc2ccc(F)c(F)c21 ZINC000770383699 622627852 /nfs/dbraw/zinc/62/78/52/622627852.db2.gz JKRJFPMMGJFZJB-ZZXKWVIFSA-N 0 0 318.298 3.492 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)CCCC(F)(F)F)cc1 ZINC000770617742 622652415 /nfs/dbraw/zinc/65/24/15/622652415.db2.gz CZFCKHAPDIZRCX-UHFFFAOYSA-N 0 0 302.340 3.444 20 10 DGCDRN O=C(NC[C@@H]1CCCc2ccccc21)c1c(F)ccc(O)c1O ZINC000789954060 625586092 /nfs/dbraw/zinc/58/60/92/625586092.db2.gz AQOVQCMXHSFEEO-LBPRGKRZSA-N 0 0 315.344 3.087 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)O[C@@H]1CCO[C@H]1C ZINC000771036514 622706820 /nfs/dbraw/zinc/70/68/20/622706820.db2.gz LFOPQRSTCQUUPV-GXTWGEPZSA-N 0 0 305.399 3.490 20 10 DGCDRN CC(C)[C@@](C)(O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000771104437 622714141 /nfs/dbraw/zinc/71/41/41/622714141.db2.gz PWRDXCPJVOUARA-LJQANCHMSA-N 0 0 318.461 3.042 20 10 DGCDRN O=C([O-])[C@@H](CC1CC1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000871882552 622729267 /nfs/dbraw/zinc/72/92/67/622729267.db2.gz MAIMIDRKGISNIQ-QGZVFWFLSA-N 0 0 302.418 3.020 20 10 DGCDRN COc1cccc(NC(=O)NCc2ccc(N(C)C)cc2)c1F ZINC000771250004 622732428 /nfs/dbraw/zinc/73/24/28/622732428.db2.gz FKKCVXWRKZKDLU-UHFFFAOYSA-N 0 0 317.364 3.222 20 10 DGCDRN C/C=C\C[C@@H](CO)NC(=O)c1sccc1-n1c(C)ccc1C ZINC000771620713 622781176 /nfs/dbraw/zinc/78/11/76/622781176.db2.gz NBSLHLYYWYKLTE-WSNITJDQSA-N 0 0 318.442 3.213 20 10 DGCDRN COc1ccc(NC(=O)c2ccc(C)c(O)c2O)c2ncccc12 ZINC000771659691 622785105 /nfs/dbraw/zinc/78/51/05/622785105.db2.gz BKKVXHVYZLJLDE-UHFFFAOYSA-N 0 0 324.336 3.215 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)c2cccnc2F)C2CC2)cc1 ZINC000806423290 622791243 /nfs/dbraw/zinc/79/12/43/622791243.db2.gz OIRCSWSVJLIVHI-UHFFFAOYSA-N 0 0 313.376 3.092 20 10 DGCDRN CCN(CC)c1ccc(CNc2nnc3ccccn32)cc1F ZINC000771757122 622793636 /nfs/dbraw/zinc/79/36/36/622793636.db2.gz KSDMYJDYBNTKKH-UHFFFAOYSA-N 0 0 313.380 3.327 20 10 DGCDRN CCCOC(=O)[C@@H](C)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000771791310 622796516 /nfs/dbraw/zinc/79/65/16/622796516.db2.gz MQVGGEODSRIYEG-CQSZACIVSA-N 0 0 304.434 3.059 20 10 DGCDRN Cc1nonc1CN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000872136273 622828906 /nfs/dbraw/zinc/82/89/06/622828906.db2.gz LBTSCDDGUNVQEF-LBPRGKRZSA-N 0 0 318.396 3.358 20 10 DGCDRN Cc1cncc(/C=C\C(=O)N2CCc3cc(F)c(F)cc32)c1 ZINC000772062652 622841697 /nfs/dbraw/zinc/84/16/97/622841697.db2.gz ZVBFGJHFECIFME-IHWYPQMZSA-N 0 0 300.308 3.271 20 10 DGCDRN CCn1cnc2c1ncnc2N[C@H](C)c1ccc(N(C)C)cc1 ZINC000772299990 622881264 /nfs/dbraw/zinc/88/12/64/622881264.db2.gz KBRREXSEQNNQKE-GFCCVEGCSA-N 0 0 310.405 3.085 20 10 DGCDRN C[C@@H](Nc1ccc2nnc(C3CC3)n2n1)c1ccc(N(C)C)cc1 ZINC000772298019 622881969 /nfs/dbraw/zinc/88/19/69/622881969.db2.gz PTVPOEXCORMMAE-GFCCVEGCSA-N 0 0 322.416 3.241 20 10 DGCDRN Cc1cc(NCc2ccc(N(C)C)c(F)c2)c2cnn(C)c2n1 ZINC000872431371 622913612 /nfs/dbraw/zinc/91/36/12/622913612.db2.gz ACGJGNZNBKAUOX-UHFFFAOYSA-N 0 0 313.380 3.094 20 10 DGCDRN CCc1nn(C)c(Cl)c1CN1CCc2cc(OC)ccc21 ZINC000772600813 622917488 /nfs/dbraw/zinc/91/74/88/622917488.db2.gz ZTXWYNTYUKOHJD-UHFFFAOYSA-N 0 0 305.809 3.207 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCc1ccc[nH]1 ZINC000772836587 622947699 /nfs/dbraw/zinc/94/76/99/622947699.db2.gz WYVQZJGOCLUNNT-UHFFFAOYSA-N 0 0 313.426 3.456 20 10 DGCDRN C[C@H](NC(=O)c1cc(C(C)(C)C)n[nH]1)c1ccc(N(C)C)cc1 ZINC000772998145 622962905 /nfs/dbraw/zinc/96/29/05/622962905.db2.gz WOJKRWBYEVVNIU-LBPRGKRZSA-N 0 0 314.433 3.264 20 10 DGCDRN C[C@@H](NC(=O)c1cc(-c2ccoc2)n[nH]1)c1ccc(N(C)C)cc1 ZINC000773007784 622965150 /nfs/dbraw/zinc/96/51/50/622965150.db2.gz KECWPZJLIJKIDO-GFCCVEGCSA-N 0 0 324.384 3.227 20 10 DGCDRN C[C@@H](NC(=O)C1(C(F)(F)F)CC1)c1ccc(N(C)C)cc1 ZINC000773015488 622967885 /nfs/dbraw/zinc/96/78/85/622967885.db2.gz PADPTSGKUPFGBJ-SNVBAGLBSA-N 0 0 300.324 3.272 20 10 DGCDRN Cc1nc(C)c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000773017579 622967957 /nfs/dbraw/zinc/96/79/57/622967957.db2.gz FNAXRRBUZUSUIH-SNVBAGLBSA-N 0 0 303.431 3.317 20 10 DGCDRN COc1ccc(F)cc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773019310 622968986 /nfs/dbraw/zinc/96/89/86/622968986.db2.gz KKKJQCRFLYYUAL-GFCCVEGCSA-N 0 0 316.376 3.391 20 10 DGCDRN C[C@H](NC(=O)CSc1ccncc1)c1ccc(N(C)C)cc1 ZINC000773018657 622969160 /nfs/dbraw/zinc/96/91/60/622969160.db2.gz WMSNUQFNAURZJZ-ZDUSSCGKSA-N 0 0 315.442 3.117 20 10 DGCDRN Cc1ccc(OCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000773019325 622969396 /nfs/dbraw/zinc/96/93/96/622969396.db2.gz KOADVTWGPLAOAI-HNNXBMFYSA-N 0 0 312.413 3.317 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCCOC[C@H]2C)cc1 ZINC000773141974 622990478 /nfs/dbraw/zinc/99/04/78/622990478.db2.gz VEQGOAYZJMBSSM-MRXNPFEDSA-N 0 0 312.413 3.345 20 10 DGCDRN C[C@H](Cc1ccco1)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773193794 622998204 /nfs/dbraw/zinc/99/82/04/622998204.db2.gz YJGXXVQUWNEWQQ-ZIAGYGMSSA-N 0 0 315.417 3.337 20 10 DGCDRN CCCOc1ccc(CN[C@H](C)c2nnc3n2CCC3)cc1C ZINC000873010747 623016731 /nfs/dbraw/zinc/01/67/31/623016731.db2.gz OBHFIGJTNDQFAX-CQSZACIVSA-N 0 0 314.433 3.172 20 10 DGCDRN CCCOc1ccc(CN[C@@H](C)c2nnc3n2CCC3)cc1C ZINC000873010746 623017160 /nfs/dbraw/zinc/01/71/60/623017160.db2.gz OBHFIGJTNDQFAX-AWEZNQCLSA-N 0 0 314.433 3.172 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H](C)c1ccc[nH]1)c1ccc(N(C)C)cc1 ZINC000773425457 623025662 /nfs/dbraw/zinc/02/56/62/623025662.db2.gz UWYDLLQRTKHMRP-OLZOCXBDSA-N 0 0 300.406 3.202 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccc[nH]1 ZINC000773425462 623025852 /nfs/dbraw/zinc/02/58/52/623025852.db2.gz UWYDLLQRTKHMRP-QWHCGFSZSA-N 0 0 300.406 3.202 20 10 DGCDRN CCCOc1ccc(CNCc2ncccc2OC)cc1C ZINC000873129907 623042946 /nfs/dbraw/zinc/04/29/46/623042946.db2.gz SYVOJXWYJSNSQE-UHFFFAOYSA-N 0 0 300.402 3.477 20 10 DGCDRN CCC(F)(F)CNCc1ccc(OC)c(Cn2cccn2)c1 ZINC000873142624 623048907 /nfs/dbraw/zinc/04/89/07/623048907.db2.gz DSRJVXJKLAWXPW-UHFFFAOYSA-N 0 0 309.360 3.075 20 10 DGCDRN CSC[C@@H]1CCCN1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773613334 623051029 /nfs/dbraw/zinc/05/10/29/623051029.db2.gz QBEVTCMUDPOANC-BBRMVZONSA-N 0 0 321.490 3.351 20 10 DGCDRN C[C@H](NC(=O)N(C)C[C@H]1CCCCO1)c1ccc(N(C)C)cc1 ZINC000773622696 623052448 /nfs/dbraw/zinc/05/24/48/623052448.db2.gz RWOCTDWUXQOEOH-WMLDXEAASA-N 0 0 319.449 3.024 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1CCCSC1)c1ccc(N(C)C)cc1 ZINC000773627567 623053278 /nfs/dbraw/zinc/05/32/78/623053278.db2.gz OZPGDCYQLYBPJD-JSGCOSHPSA-N 0 0 307.463 3.008 20 10 DGCDRN C[C@@H](NC(=O)N1CCOC(C)(C)[C@H]1C)c1ccc(N(C)C)cc1 ZINC000773626324 623053394 /nfs/dbraw/zinc/05/33/94/623053394.db2.gz SPVPQPWEBKNPFY-ZIAGYGMSSA-N 0 0 319.449 3.023 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1CCCC[C@@H]1C ZINC000773744862 623066085 /nfs/dbraw/zinc/06/60/85/623066085.db2.gz FLUGWYMZKOMURS-GUTXKFCHSA-N 0 0 305.418 3.361 20 10 DGCDRN CCN(C)c1ccc(CN2CC[S@](=O)C(CC)(CC)C2)cc1 ZINC000773858510 623080074 /nfs/dbraw/zinc/08/00/74/623080074.db2.gz MMIPODFJAHEIBC-QFIPXVFZSA-N 0 0 322.518 3.266 20 10 DGCDRN C[C@@H](Nc1cnn(CCO)c1)c1cc(Cl)c(Cl)cc1O ZINC000774305148 623129481 /nfs/dbraw/zinc/12/94/81/623129481.db2.gz ZQJCZLIVLLNKPY-MRVPVSSYSA-N 0 0 316.188 3.061 20 10 DGCDRN Cc1ccsc1CCNC(=O)N(C)Cc1ccccc1O ZINC000774303558 623129527 /nfs/dbraw/zinc/12/95/27/623129527.db2.gz NGZXAKDRZKDWRX-UHFFFAOYSA-N 0 0 304.415 3.146 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1cc(F)cc(F)c1[O-] ZINC000774377332 623137635 /nfs/dbraw/zinc/13/76/35/623137635.db2.gz FZXDNWQJEAUJRY-FZMZJTMJSA-N 0 0 310.388 3.338 20 10 DGCDRN C[C@H]([NH2+][C@@H](CO)CC(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000774381348 623138363 /nfs/dbraw/zinc/13/83/63/623138363.db2.gz MGMJIXDGDKSOQI-NKWVEPMBSA-N 0 0 314.159 3.366 20 10 DGCDRN CCc1cc(=O)[nH]c(-c2ccc(NCc3ccccc3O)nc2)n1 ZINC000774524484 623155529 /nfs/dbraw/zinc/15/55/29/623155529.db2.gz UVZCNYFXCYQGPH-UHFFFAOYSA-N 0 0 322.368 3.124 20 10 DGCDRN Cc1cc(Br)cc(CN2CCOCC2(C)C)c1O ZINC000124564867 623177883 /nfs/dbraw/zinc/17/78/83/623177883.db2.gz ZSEBOJHWOPVOHI-UHFFFAOYSA-N 0 0 314.223 3.074 20 10 DGCDRN CO[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000774832147 623197172 /nfs/dbraw/zinc/19/71/72/623197172.db2.gz JGTLXNSDBPSTSP-MFKMUULPSA-N 0 0 314.223 3.059 20 10 DGCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)CC1(C)CCC1 ZINC000774881304 623204087 /nfs/dbraw/zinc/20/40/87/623204087.db2.gz RIWWBFNJWOVDIH-UHFFFAOYSA-N 0 0 311.809 3.211 20 10 DGCDRN COc1c(O)c(CNc2cc(C)ccc2F)ccc1[N+](=O)[O-] ZINC000774927442 623208573 /nfs/dbraw/zinc/20/85/73/623208573.db2.gz GWCZHYUUWGIMOU-UHFFFAOYSA-N 0 0 306.293 3.369 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000774942244 623210222 /nfs/dbraw/zinc/21/02/22/623210222.db2.gz JQIYAZAPKKPDJC-DMDPSCGWSA-N 0 0 308.378 3.223 20 10 DGCDRN COc1c([O-])c(C[NH2+]C2[C@H](C)CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000774980898 623213677 /nfs/dbraw/zinc/21/36/77/623213677.db2.gz FAYHCNGBOFQFQU-GHMZBOCLSA-N 0 0 308.378 3.223 20 10 DGCDRN CC(C)=C(C)CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000873861683 623217183 /nfs/dbraw/zinc/21/71/83/623217183.db2.gz FIQCHTAJSZAJPE-UHFFFAOYSA-N 0 0 316.445 3.228 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CC[C@@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000775061634 623224598 /nfs/dbraw/zinc/22/45/98/623224598.db2.gz ZRSLEHGCHKJTTG-GFCCVEGCSA-N 0 0 308.378 3.177 20 10 DGCDRN Nc1ccc(CC(=O)NCCc2ccc(Cl)cc2Cl)cc1 ZINC000020185757 623226646 /nfs/dbraw/zinc/22/66/46/623226646.db2.gz XOBJPJRZRVIANW-UHFFFAOYSA-N 0 0 323.223 3.477 20 10 DGCDRN CCC[C@]1(CO)CCC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000775178909 623238518 /nfs/dbraw/zinc/23/85/18/623238518.db2.gz WQXZPUIBPWXANL-OAHLLOKOSA-N 0 0 301.789 3.312 20 10 DGCDRN C[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000124834545 623240454 /nfs/dbraw/zinc/24/04/54/623240454.db2.gz DXZLOSPUMDRPRB-MAUKXSAKSA-N 0 0 313.445 3.441 20 10 DGCDRN Cc1ccc(/C=C\C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000775402140 623269492 /nfs/dbraw/zinc/26/94/92/623269492.db2.gz BNRUUKQNGDMRON-XCHKQJEOSA-N 0 0 309.413 3.347 20 10 DGCDRN C[C@@H](NC(=O)c1ccc2cc[nH]c2n1)c1ccc(N(C)C)cc1 ZINC000775408725 623270528 /nfs/dbraw/zinc/27/05/28/623270528.db2.gz BIUDNMFYMURJRD-GFCCVEGCSA-N 0 0 308.385 3.120 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(O)c(F)c1)c1ccc(N(C)C)cc1 ZINC000775412203 623271991 /nfs/dbraw/zinc/27/19/91/623271991.db2.gz UXKUQIYTJOYAGH-LLVKDONJSA-N 0 0 302.349 3.088 20 10 DGCDRN Cc1ccc(/C=C/C(=O)N2C[C@H](C)Oc3c(F)cccc32)cn1 ZINC000775423363 623273203 /nfs/dbraw/zinc/27/32/03/623273203.db2.gz YQAHGYXKVUZTAF-XEHSLEBBSA-N 0 0 312.344 3.356 20 10 DGCDRN Cc1ccc(/C=C/C(=O)N2C[C@@H](C)Oc3c(F)cccc32)cn1 ZINC000775423362 623273771 /nfs/dbraw/zinc/27/37/71/623273771.db2.gz YQAHGYXKVUZTAF-MMQHEFTJSA-N 0 0 312.344 3.356 20 10 DGCDRN CC(C)n1nccc1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775433304 623274051 /nfs/dbraw/zinc/27/40/51/623274051.db2.gz ZXPZMUIVCLYIMP-ZDUSSCGKSA-N 0 0 315.421 3.413 20 10 DGCDRN CC[C@H]([NH2+]Cc1cn(C)nn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775552025 623288643 /nfs/dbraw/zinc/28/86/43/623288643.db2.gz RQJKRQPDYGRUPG-NSHDSACASA-N 0 0 315.204 3.068 20 10 DGCDRN Cc1cc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)nnc1C ZINC000775621998 623297338 /nfs/dbraw/zinc/29/73/38/623297338.db2.gz ZSASAQUSJBKQLT-ZDUSSCGKSA-N 0 0 313.405 3.042 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@H+](CCO)Cc1ccccc1 ZINC000775638467 623300656 /nfs/dbraw/zinc/30/06/56/623300656.db2.gz ITWSUVOLMZOMHP-UHFFFAOYSA-N 0 0 309.768 3.179 20 10 DGCDRN CCN1CCC([N@H+](C)Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775647883 623303522 /nfs/dbraw/zinc/30/35/22/623303522.db2.gz GHZNEVIZXQTNMC-UHFFFAOYSA-N 0 0 300.805 3.101 20 10 DGCDRN COc1ccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000775750642 623325046 /nfs/dbraw/zinc/32/50/46/623325046.db2.gz KGHSKAPIOWFLIP-LBPRGKRZSA-N 0 0 314.389 3.039 20 10 DGCDRN COCCOc1cccc(C[NH2+]Cc2cccc(Cl)c2[O-])c1 ZINC000776021449 623365631 /nfs/dbraw/zinc/36/56/31/623365631.db2.gz WMJYLOIISGMVNF-UHFFFAOYSA-N 0 0 321.804 3.361 20 10 DGCDRN CC[C@H](C)n1nc(NC(=O)NCc2ccccc2O)cc1C ZINC000776026593 623366590 /nfs/dbraw/zinc/36/65/90/623366590.db2.gz QAZOACLMSZBVJO-NSHDSACASA-N 0 0 302.378 3.190 20 10 DGCDRN Cc1cc(C(=O)NC2(C)CC(F)(F)C2)c(C)n1-c1ccccn1 ZINC000874857203 623376088 /nfs/dbraw/zinc/37/60/88/623376088.db2.gz XTGBUEYTVLWVFH-UHFFFAOYSA-N 0 0 319.355 3.407 20 10 DGCDRN CC(=O)OCCCc1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC000776203968 623396193 /nfs/dbraw/zinc/39/61/93/623396193.db2.gz KSHZUQSDDBVPOV-UHFFFAOYSA-N 0 0 319.382 3.202 20 10 DGCDRN Cn1c(C[NH2+]Cc2cccc(Cl)c2[O-])nc2cc(F)ccc21 ZINC000776213736 623397848 /nfs/dbraw/zinc/39/78/48/623397848.db2.gz GFZQZBKXFCOQID-UHFFFAOYSA-N 0 0 319.767 3.361 20 10 DGCDRN CC1(C)[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])[C@H]2CCCO[C@@H]21 ZINC000776223535 623399489 /nfs/dbraw/zinc/39/94/89/623399489.db2.gz JJGPEYWKCSFTOZ-DFBGVHRSSA-N 0 0 313.800 3.478 20 10 DGCDRN CCCN(CC(C)(C)O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776238305 623401106 /nfs/dbraw/zinc/40/11/06/623401106.db2.gz ISZUJTURXWJWGG-CQSZACIVSA-N 0 0 321.465 3.006 20 10 DGCDRN CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)C1=CC(=O)CS1 ZINC000776251055 623401682 /nfs/dbraw/zinc/40/16/82/623401682.db2.gz OZZMDRGUCGGESY-OTYXRUKQSA-N 0 0 309.362 3.099 20 10 DGCDRN O=C1[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CCN1C1CCCCC1 ZINC000776253899 623401834 /nfs/dbraw/zinc/40/18/34/623401834.db2.gz WQAJNRTYKKHOFN-OAHLLOKOSA-N 0 0 322.836 3.069 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@]1(CO)CCc2ccccc21 ZINC000776252742 623401970 /nfs/dbraw/zinc/40/19/70/623401970.db2.gz XDOLTTJGUHGZKS-KRWDZBQOSA-N 0 0 321.779 3.108 20 10 DGCDRN COc1ccccc1[C@@H](C)NC(=O)N1Cc2cccc(O)c2C1 ZINC000874995226 623405049 /nfs/dbraw/zinc/40/50/49/623405049.db2.gz JDGNUCFGESSPTQ-GFCCVEGCSA-N 0 0 312.369 3.187 20 10 DGCDRN CC(C)c1ccc(C(=O)COC(=O)c2cccc(O)c2O)cc1 ZINC000776282070 623406559 /nfs/dbraw/zinc/40/65/59/623406559.db2.gz NFRWZBAOPFUBMK-UHFFFAOYSA-N 0 0 314.337 3.261 20 10 DGCDRN O=C(OCc1coc(-c2cccs2)n1)c1cccc(O)c1O ZINC000776282714 623406616 /nfs/dbraw/zinc/40/66/16/623406616.db2.gz VKKFHDWHPUYEIY-UHFFFAOYSA-N 0 0 317.322 3.171 20 10 DGCDRN C[C@@H](Cc1cccs1)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875082469 623414460 /nfs/dbraw/zinc/41/44/60/623414460.db2.gz VLTINEFJAMUWDQ-NSHDSACASA-N 0 0 302.399 3.110 20 10 DGCDRN Cc1ccc(-c2cc(NC(=O)c3cccc(O)c3O)n[nH]2)s1 ZINC000776343626 623415121 /nfs/dbraw/zinc/41/51/21/623415121.db2.gz SDOAVDMWNOIVCR-UHFFFAOYSA-N 0 0 315.354 3.110 20 10 DGCDRN O=C(NC1(c2ccc(F)cc2F)CCC1)c1cccc(O)c1O ZINC000776358049 623416393 /nfs/dbraw/zinc/41/63/93/623416393.db2.gz XVVPWOWSYZYDIJ-UHFFFAOYSA-N 0 0 319.307 3.185 20 10 DGCDRN CCS[C@@H]1CCC[C@@H](NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000875343061 623439796 /nfs/dbraw/zinc/43/97/96/623439796.db2.gz SAMIIBVJLCJVNR-ZIAGYGMSSA-N 0 0 320.458 3.482 20 10 DGCDRN CCS[C@@H]1CCCC[C@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000875354087 623440593 /nfs/dbraw/zinc/44/05/93/623440593.db2.gz XRDSMUIUAJYKMO-GDBMZVCRSA-N 0 0 320.458 3.482 20 10 DGCDRN CCC(CC)[C@@H](CCNC(=O)N1Cc2cccc(O)c2C1)OC ZINC000875408528 623447072 /nfs/dbraw/zinc/44/70/72/623447072.db2.gz KPYPWIGTIBVPQE-QGZVFWFLSA-N 0 0 320.433 3.259 20 10 DGCDRN CC(C)(C)[C@H]1C[C@@H](NC(=O)N2Cc3cccc(O)c3C2)CCO1 ZINC000875439639 623450845 /nfs/dbraw/zinc/45/08/45/623450845.db2.gz ZDRGXVFLMWUVEJ-XJKSGUPXSA-N 0 0 318.417 3.011 20 10 DGCDRN C[C@H](NC(=O)N[C@]12C[C@H]1CCCC2)c1ccc(N(C)C)cc1 ZINC000875507827 623457685 /nfs/dbraw/zinc/45/76/85/623457685.db2.gz LBMNPDJYYJXXJU-JCKWVBRZSA-N 0 0 301.434 3.446 20 10 DGCDRN Cc1ncsc1/C=C\C(=O)N1CCc2cc(F)c(F)cc21 ZINC000776784565 623463208 /nfs/dbraw/zinc/46/32/08/623463208.db2.gz PUFNYZAWUPDWJZ-IHWYPQMZSA-N 0 0 306.337 3.332 20 10 DGCDRN O=C(NCC1CCC(F)(F)CC1)N1Cc2cccc(O)c2C1 ZINC000875560775 623465015 /nfs/dbraw/zinc/46/50/15/623465015.db2.gz FUQADCFMZIABJL-UHFFFAOYSA-N 0 0 310.344 3.243 20 10 DGCDRN CO[C@H](CNC(=O)N1Cc2cccc(O)c2C1)C1CCCCC1 ZINC000875751031 623487924 /nfs/dbraw/zinc/48/79/24/623487924.db2.gz PXAJUDRTNVQFOC-QGZVFWFLSA-N 0 0 318.417 3.013 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000875868013 623501404 /nfs/dbraw/zinc/50/14/04/623501404.db2.gz CGDBOXRKRPOZBY-WSMBLCCSSA-N 0 0 320.433 3.126 20 10 DGCDRN C[C@H](NC(=O)N1Cc2cccc(O)c2C1)[C@]12C[C@H]1CCCC2 ZINC000876019301 623525258 /nfs/dbraw/zinc/52/52/58/623525258.db2.gz VJHURMOGAOJUID-WRSAYESZSA-N 0 0 300.402 3.386 20 10 DGCDRN CN(C)c1ccc(CNc2nnc(-c3ccco3)o2)cc1F ZINC000777505121 623532956 /nfs/dbraw/zinc/53/29/56/623532956.db2.gz JCLOLCSASUPRTF-UHFFFAOYSA-N 0 0 302.309 3.147 20 10 DGCDRN CC(C)CCc1nnc(NCc2ccc(N(C)C)c(F)c2)o1 ZINC000777515774 623533947 /nfs/dbraw/zinc/53/39/47/623533947.db2.gz MOVZDDMRMFNKSY-UHFFFAOYSA-N 0 0 306.385 3.475 20 10 DGCDRN O=C(/C=C/c1ccc(Cl)nc1)N1CCOc2ccc(F)cc21 ZINC000125776826 623549769 /nfs/dbraw/zinc/54/97/69/623549769.db2.gz FDZGUHHTJWQXRT-QHHAFSJGSA-N 0 0 318.735 3.313 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1N(C)CCCC1(C)C)c1cc(F)cc(F)c1[O-] ZINC000790495872 625661284 /nfs/dbraw/zinc/66/12/84/625661284.db2.gz CZEMILOMOBHVDA-ABAIWWIYSA-N 0 0 312.404 3.441 20 10 DGCDRN C[C@@H]1CCN2[C@H](C1)C(=O)N[C@@H]2c1cc(-c2ccccc2)ccc1O ZINC000777901502 623583010 /nfs/dbraw/zinc/58/30/10/623583010.db2.gz YXWDROSLVMXRIN-XVSDVWIESA-N 0 0 322.408 3.288 20 10 DGCDRN Cc1ccc2c(c1)SCCCN2C(=O)/C=C/c1cnccn1 ZINC000778273465 623634011 /nfs/dbraw/zinc/63/40/11/623634011.db2.gz CWBRVZGCKXFEBH-GQCTYLIASA-N 0 0 311.410 3.327 20 10 DGCDRN CCOC1(C(=O)NCc2ccc(N(C)C)cc2C)CCCC1 ZINC000790529638 625665914 /nfs/dbraw/zinc/66/59/14/625665914.db2.gz MJWVKIXDZTWJRH-UHFFFAOYSA-N 0 0 304.434 3.027 20 10 DGCDRN Cc1ccnc(CN(C)Cc2ccccc2O)c1Br ZINC000876615571 623660465 /nfs/dbraw/zinc/66/04/65/623660465.db2.gz ICHNIOHNXNFPNH-UHFFFAOYSA-N 0 0 321.218 3.490 20 10 DGCDRN CN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cccc(F)c1O ZINC000778519607 623663585 /nfs/dbraw/zinc/66/35/85/623663585.db2.gz JHRFUJRNVRYESC-CQSZACIVSA-N 0 0 306.724 3.381 20 10 DGCDRN CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cccc(F)c1O ZINC000778523595 623663642 /nfs/dbraw/zinc/66/36/42/623663642.db2.gz BMHANCUCZUSBFF-HNNXBMFYSA-N 0 0 306.381 3.075 20 10 DGCDRN [O-]c1c(C[NH+]2CCC(c3ccccn3)CC2)ccc(F)c1F ZINC000876636644 623665708 /nfs/dbraw/zinc/66/57/08/623665708.db2.gz JRKNFBKLOOWPSA-UHFFFAOYSA-N 0 0 304.340 3.445 20 10 DGCDRN [O-]c1c(CN2CCCC[C@H]([NH+]3CCCC3)C2)ccc(F)c1F ZINC000876662462 623673333 /nfs/dbraw/zinc/67/33/33/623673333.db2.gz LNWHQUMGSREOCL-AWEZNQCLSA-N 0 0 310.388 3.121 20 10 DGCDRN Cc1ccc(CN(C)Cc2nccn2CC(F)(F)F)c(O)c1 ZINC000876685457 623682393 /nfs/dbraw/zinc/68/23/93/623682393.db2.gz QXPHSWZXBZRYAC-UHFFFAOYSA-N 0 0 313.323 3.091 20 10 DGCDRN C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876723971 623689620 /nfs/dbraw/zinc/68/96/20/623689620.db2.gz JVLCLZLYQRUZFB-NSHDSACASA-N 0 0 307.340 3.439 20 10 DGCDRN O=C(CCc1cccc(Cl)c1)NCc1ccc(O)c(O)c1 ZINC000778916914 623711253 /nfs/dbraw/zinc/71/12/53/623711253.db2.gz RSAGPYSOXCXCET-UHFFFAOYSA-N 0 0 305.761 3.000 20 10 DGCDRN Cc1ccsc1CCCC(=O)NCc1ccc(O)c(O)c1 ZINC000778918813 623711375 /nfs/dbraw/zinc/71/13/75/623711375.db2.gz WYXWXHRWGHMNIU-UHFFFAOYSA-N 0 0 305.399 3.107 20 10 DGCDRN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCc2ccc(O)c(O)c2)o1 ZINC000778926725 623711967 /nfs/dbraw/zinc/71/19/67/623711967.db2.gz FNODIFLCHMZMQY-RISCZKNCSA-N 0 0 315.369 3.063 20 10 DGCDRN CC(C)[C@H](C(=O)NCc1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000778927250 623712457 /nfs/dbraw/zinc/71/24/57/623712457.db2.gz NCHBXQJAUOBIIE-KRWDZBQOSA-N 0 0 317.360 3.293 20 10 DGCDRN O=C(Nc1cccc(Br)c1)c1cccc(O)c1O ZINC000126172277 623716008 /nfs/dbraw/zinc/71/60/08/623716008.db2.gz XAUPAUBZUIYVKX-UHFFFAOYSA-N 0 0 308.131 3.113 20 10 DGCDRN COc1cc(NCc2c(C)cccc2O)cc(OC)c1OC ZINC000876820197 623717086 /nfs/dbraw/zinc/71/70/86/623717086.db2.gz RVEXKBGSERAEME-UHFFFAOYSA-N 0 0 303.358 3.339 20 10 DGCDRN COc1ccc(NCc2ccc(C)cc2O)c(OC)c1OC ZINC000876834759 623723607 /nfs/dbraw/zinc/72/36/07/623723607.db2.gz VNVDOQKDCLPASU-UHFFFAOYSA-N 0 0 303.358 3.339 20 10 DGCDRN COc1cc2c(cc1F)CN(Cc1cc(F)ccc1O)CC2 ZINC000779118332 623731632 /nfs/dbraw/zinc/73/16/32/623731632.db2.gz YMCDLKNPYIONHE-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN [O-]c1c(C[NH2+]C[C@@H]2COc3ccccc3C2)ccc(F)c1F ZINC000876875789 623734121 /nfs/dbraw/zinc/73/41/21/623734121.db2.gz AQNYGLPEYAWEQL-LLVKDONJSA-N 0 0 305.324 3.011 20 10 DGCDRN C[C@@H]1CCN(Cc2cc(Br)ccc2O)C[C@H]1F ZINC000779148213 623735720 /nfs/dbraw/zinc/73/57/20/623735720.db2.gz GYBCNLOWEXVILV-BXKDBHETSA-N 0 0 302.187 3.335 20 10 DGCDRN COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000779432189 623770634 /nfs/dbraw/zinc/77/06/34/623770634.db2.gz NLCKCGIOSRQTPV-MLGOLLRUSA-N 0 0 311.809 3.257 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000779486381 623774079 /nfs/dbraw/zinc/77/40/79/623774079.db2.gz WQDCPFNMKZABGD-RJXMKIDGSA-N 0 0 301.386 3.196 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N(C1CC1)C1CCCCC1 ZINC000779501904 623775861 /nfs/dbraw/zinc/77/58/61/623775861.db2.gz ZRZFLXMHIDVFET-XFFZJAGNSA-N 0 0 301.386 3.435 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N(C1CC1)C1CCCCC1 ZINC000779501906 623775879 /nfs/dbraw/zinc/77/58/79/623775879.db2.gz ZRZFLXMHIDVFET-YRNVUSSQSA-N 0 0 301.386 3.435 20 10 DGCDRN CC1(C)CN(C(=O)/C=C\c2ccc(O)c(O)c2)c2ccccc21 ZINC000779527091 623777450 /nfs/dbraw/zinc/77/74/50/623777450.db2.gz HINDEOBBOAYERL-NTMALXAHSA-N 0 0 309.365 3.435 20 10 DGCDRN Cc1cccc([C@H]2CCCN2C(=O)/C=C/c2ccc(O)c(O)c2)n1 ZINC000779535457 623778045 /nfs/dbraw/zinc/77/80/45/623778045.db2.gz XICUQWNLUJDLSS-XAVKZTDYSA-N 0 0 324.380 3.178 20 10 DGCDRN CC1(C)CCC(CNC(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000779540706 623778086 /nfs/dbraw/zinc/77/80/86/623778086.db2.gz CNGAXINXBNPDQP-XQRVVYSFSA-N 0 0 303.402 3.444 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC2(C1)CCCC2 ZINC000779575681 623778707 /nfs/dbraw/zinc/77/87/07/623778707.db2.gz MYUJEJRCIGGACV-UHFFFAOYSA-N 0 0 301.434 3.147 20 10 DGCDRN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N(C)c2ccc(N)cc2)cc1 ZINC000877080967 623786701 /nfs/dbraw/zinc/78/67/01/623786701.db2.gz SFTMLRUQGQHHEF-SJKOYZFVSA-N 0 0 323.396 3.140 20 10 DGCDRN O=C(NC1(c2ccc(F)cc2)CCC1)c1cccc(O)c1O ZINC000790599481 625676240 /nfs/dbraw/zinc/67/62/40/625676240.db2.gz ZGAMTMVNNSDQFR-UHFFFAOYSA-N 0 0 301.317 3.046 20 10 DGCDRN Nc1ccc(CC(=O)NC2(c3c(F)cccc3F)CCC2)cc1 ZINC000877121823 623796187 /nfs/dbraw/zinc/79/61/87/623796187.db2.gz WVTMFEOFMZWFGR-UHFFFAOYSA-N 0 0 316.351 3.285 20 10 DGCDRN COC(=O)c1cncnc1/C=C\c1ccc(N2CCCCC2)cc1 ZINC000790608793 625677043 /nfs/dbraw/zinc/67/70/43/625677043.db2.gz GKMFSGSNIUUEMH-YFHOEESVSA-N 0 0 323.396 3.424 20 10 DGCDRN COc1cc(N(C)CC2CCSCC2)cc(OC)c1OC ZINC000877180365 623819501 /nfs/dbraw/zinc/81/95/01/623819501.db2.gz TWKJSIKEKYUYKN-UHFFFAOYSA-N 0 0 311.447 3.292 20 10 DGCDRN [O-]c1c(C[NH2+]Cc2ccc3c(n2)CCCC3)ccc(F)c1F ZINC000877480449 623903342 /nfs/dbraw/zinc/90/33/42/623903342.db2.gz VWDHJFIOLRGLOT-UHFFFAOYSA-N 0 0 304.340 3.234 20 10 DGCDRN Cc1ccc(CNc2ccc3c(c2)N(C(N)=O)CCC3)c(O)c1 ZINC000877483782 623905392 /nfs/dbraw/zinc/90/53/92/623905392.db2.gz SAKNOFGUVCVQFZ-UHFFFAOYSA-N 0 0 311.385 3.144 20 10 DGCDRN CN(CCC[N@H+](C)Cc1ccc(F)c(F)c1[O-])Cc1ccco1 ZINC000877524550 623923672 /nfs/dbraw/zinc/92/36/72/623923672.db2.gz YCLUZOVSHJAJQI-UHFFFAOYSA-N 0 0 324.371 3.217 20 10 DGCDRN [O-]c1c(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)ccc(F)c1F ZINC000877529239 623926425 /nfs/dbraw/zinc/92/64/25/623926425.db2.gz WUIFDTGNPOIJSI-CHWSQXEVSA-N 0 0 311.372 3.309 20 10 DGCDRN CC1(C)CC(CNC(=O)NCCCSc2nccs2)C1 ZINC000780537083 623945989 /nfs/dbraw/zinc/94/59/89/623945989.db2.gz CEPCEGCEEHSLNP-UHFFFAOYSA-N 0 0 313.492 3.361 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)ccc(F)c1F ZINC000877599457 623957522 /nfs/dbraw/zinc/95/75/22/623957522.db2.gz AITYFGPXMGYZIF-QGZVFWFLSA-N 0 0 323.383 3.452 20 10 DGCDRN [O-]c1c(C[NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)ccc(F)c1F ZINC000877630068 623969114 /nfs/dbraw/zinc/96/91/14/623969114.db2.gz FGJPVKJTYOMHNM-GJZGRUSLSA-N 0 0 319.351 3.333 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCC=CO1 ZINC000780731968 623974188 /nfs/dbraw/zinc/97/41/88/623974188.db2.gz CSPUPEFINLFJMV-OAHLLOKOSA-N 0 0 304.390 3.007 20 10 DGCDRN CC[C@@H]1C[C@@H](CN(C)c2cc(OC)c(OC)c(OC)c2)CCO1 ZINC000780775244 623982022 /nfs/dbraw/zinc/98/20/22/623982022.db2.gz SUQXLKJCOMEBBZ-DZGCQCFKSA-N 0 0 323.433 3.354 20 10 DGCDRN CN(C/C=C\c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000780778978 623982098 /nfs/dbraw/zinc/98/20/98/623982098.db2.gz ZXPBJTDWQMGVJK-XQRVVYSFSA-N 0 0 312.325 3.473 20 10 DGCDRN COc1ccc(CN(C)c2ccc(OC)c(F)c2)c(OC)c1 ZINC000780779496 623982111 /nfs/dbraw/zinc/98/21/11/623982111.db2.gz HWSKELCNKWMAGT-UHFFFAOYSA-N 0 0 305.349 3.488 20 10 DGCDRN COc1cc(C)c(CN(C)c2ccc3c(c2)OCO3)cc1OC ZINC000780778700 623982426 /nfs/dbraw/zinc/98/24/26/623982426.db2.gz OXZHOXDAYGQFIK-UHFFFAOYSA-N 0 0 315.369 3.377 20 10 DGCDRN C[C@H]1CC[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000780784142 623984083 /nfs/dbraw/zinc/98/40/83/623984083.db2.gz JRXHNJYXHWQNKT-GXTWGEPZSA-N 0 0 302.418 3.259 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[C@H](C)C1 ZINC000780801600 623986729 /nfs/dbraw/zinc/98/67/29/623986729.db2.gz YJJTYXCUCRRIOR-HOCLYGCPSA-N 0 0 303.450 3.473 20 10 DGCDRN CCN(C(=O)c1ccc(C)c(O)c1O)c1cccc(OC)c1 ZINC000780886205 623993672 /nfs/dbraw/zinc/99/36/72/623993672.db2.gz PGXVNKVMRDYDNR-UHFFFAOYSA-N 0 0 301.342 3.082 20 10 DGCDRN Cc1ccc(C(=O)N2CC[C@H](C)[C@H]3CCCC[C@H]32)c(O)c1O ZINC000780888610 623994198 /nfs/dbraw/zinc/99/41/98/623994198.db2.gz LTSZZEMSLZUVGS-NJZAAPMLSA-N 0 0 303.402 3.447 20 10 DGCDRN Cc1[nH]c2ccc(CNC(=O)c3ccc(C)c(O)c3O)cc2c1C ZINC000780906718 623995983 /nfs/dbraw/zinc/99/59/83/623995983.db2.gz BUVNBCZNKHNYQQ-UHFFFAOYSA-N 0 0 324.380 3.434 20 10 DGCDRN Cc1ccc(C(=O)Nc2n[nH]c3c2cccc3Cl)c(O)c1O ZINC000780987316 624007984 /nfs/dbraw/zinc/00/79/84/624007984.db2.gz VWFLQXMGPCZOCC-UHFFFAOYSA-N 0 0 317.732 3.188 20 10 DGCDRN Cn1cc(C(F)F)c(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])n1 ZINC000877734490 624008483 /nfs/dbraw/zinc/00/84/83/624008483.db2.gz VAOVPFRCEAQMDS-UHFFFAOYSA-N 0 0 319.714 3.146 20 10 DGCDRN C[C@@H](NC(=O)/C=C\c1cccc(O)c1)c1ccc(N(C)C)cc1 ZINC000781036181 624012296 /nfs/dbraw/zinc/01/22/96/624012296.db2.gz NVKJOHPAVXGLKQ-YRBHFNIASA-N 0 0 310.397 3.349 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@]2(C)CCCOC2)cc1 ZINC000781112802 624024309 /nfs/dbraw/zinc/02/43/09/624024309.db2.gz GCBBSYMZNSMERB-IBGZPJMESA-N 0 0 318.461 3.308 20 10 DGCDRN O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)c1cccc(O)c1O ZINC000790767475 625694445 /nfs/dbraw/zinc/69/44/45/625694445.db2.gz LJSCYFBWTYDNJW-JOYOIKCWSA-N 0 0 321.735 3.176 20 10 DGCDRN Cc1ccc2c(c1)C(=O)N[C@@H](c1cc(Cl)c(F)cc1O)N2 ZINC000877862063 624073453 /nfs/dbraw/zinc/07/34/53/624073453.db2.gz GGXCVOWMNFLACP-AWEZNQCLSA-N 0 0 306.724 3.347 20 10 DGCDRN COc1ccc2c(c1)CCCN2C[C@H]1CCC2(CCOCC2)O1 ZINC000877944834 624104606 /nfs/dbraw/zinc/10/46/06/624104606.db2.gz UOTKGCOMIVZSEW-QGZVFWFLSA-N 0 0 317.429 3.176 20 10 DGCDRN CCCc1nnc(NC(=O)N[C@H](C)c2ccccc2O)s1 ZINC000878016263 624136071 /nfs/dbraw/zinc/13/60/71/624136071.db2.gz SMWYZOXMSOUJHT-SECBINFHSA-N 0 0 306.391 3.079 20 10 DGCDRN CC[C@@H]1CN(Cc2cc(C)cc(Br)c2O)CCO1 ZINC000781896679 624166644 /nfs/dbraw/zinc/16/66/44/624166644.db2.gz MHZLNPLZXSLCOL-GFCCVEGCSA-N 0 0 314.223 3.074 20 10 DGCDRN COc1cc(C)c(CN(C)c2ccc3c(c2)OCO3)c(C)n1 ZINC000781920483 624171751 /nfs/dbraw/zinc/17/17/51/624171751.db2.gz KPGLSRYCMCSQNV-UHFFFAOYSA-N 0 0 300.358 3.072 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2csc(Cl)n2)c1 ZINC000781924269 624171831 /nfs/dbraw/zinc/17/18/31/624171831.db2.gz AUTSTNMAIKSEAU-ZETCQYMHSA-N 0 0 312.778 3.002 20 10 DGCDRN CSC[C@H](O)CN(C)c1ccc(OCc2ccccc2)cc1 ZINC000781964067 624180275 /nfs/dbraw/zinc/18/02/75/624180275.db2.gz OAEYDJDVPATGAJ-QGZVFWFLSA-N 0 0 317.454 3.426 20 10 DGCDRN CCOC[C@H](O)CN(C)c1ccc(OCc2ccccc2)cc1 ZINC000781962688 624180279 /nfs/dbraw/zinc/18/02/79/624180279.db2.gz CPNCIFZRFFRFGZ-GOSISDBHSA-N 0 0 315.413 3.099 20 10 DGCDRN COc1cc(N(C)C[C@H]2CC3(CCC3)CO2)cc(OC)c1OC ZINC000878129975 624181151 /nfs/dbraw/zinc/18/11/51/624181151.db2.gz SVFCPQNFEOSUSS-CQSZACIVSA-N 0 0 321.417 3.108 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCCN2c2ccccc2)cc1 ZINC000782008671 624186609 /nfs/dbraw/zinc/18/66/09/624186609.db2.gz QVRQORWUEJEVAG-LJQANCHMSA-N 0 0 323.440 3.038 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2C[C@H](C)O[C@H](C)[C@H]2C)c1O ZINC000782630225 624268939 /nfs/dbraw/zinc/26/89/39/624268939.db2.gz ZAKQSBGVDKLPPN-HOSYDEDBSA-N 0 0 311.809 3.246 20 10 DGCDRN CC(C)Oc1ccc(N(C)C[C@@H]2CC3(CO2)CCOCC3)cc1 ZINC000878512069 624295289 /nfs/dbraw/zinc/29/52/89/624295289.db2.gz KFXVJLMAVLLNSQ-SFHVURJKSA-N 0 0 319.445 3.496 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCCCCOC(C)C ZINC000783020884 624301435 /nfs/dbraw/zinc/30/14/35/624301435.db2.gz ULABJMMKZBIYFO-UHFFFAOYSA-N 0 0 321.465 3.065 20 10 DGCDRN C[C@H](NC(=O)Nc1nc(C(C)(C)C)ns1)c1ccccc1O ZINC000878591877 624315888 /nfs/dbraw/zinc/31/58/88/624315888.db2.gz QIFXZCAZZBMQCL-VIFPVBQESA-N 0 0 320.418 3.424 20 10 DGCDRN C[C@H](c1ccccc1)n1ccc(NC(=O)c2cccc(O)c2O)n1 ZINC000790882960 625711852 /nfs/dbraw/zinc/71/18/52/625711852.db2.gz TZRBGRVHPPSDTB-GFCCVEGCSA-N 0 0 323.352 3.156 20 10 DGCDRN CCNC(=O)c1ccc(NCc2c(O)cccc2Cl)cc1 ZINC000127287370 624346514 /nfs/dbraw/zinc/34/65/14/624346514.db2.gz NARQMHGVQRWPSK-UHFFFAOYSA-N 0 0 304.777 3.407 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2c[nH]cc2C2CC2)c1 ZINC000878730943 624350472 /nfs/dbraw/zinc/35/04/72/624350472.db2.gz UXWQEXYOYQMAMZ-SNVBAGLBSA-N 0 0 300.358 3.097 20 10 DGCDRN O=C(Nc1ccc2c(cnn2C(F)F)c1)c1cccc(O)c1O ZINC000790900255 625714237 /nfs/dbraw/zinc/71/42/37/625714237.db2.gz YBEHSLZVBFKHGL-UHFFFAOYSA-N 0 0 319.267 3.095 20 10 DGCDRN CNC(=O)CCOc1ccc(N[C@H](C)c2ccccc2O)cc1 ZINC000783532796 624362686 /nfs/dbraw/zinc/36/26/86/624362686.db2.gz VGODDNOVUVYKHV-CYBMUJFWSA-N 0 0 314.385 3.080 20 10 DGCDRN O=C(COC(=O)C1CCCCCCC1)c1ccc(O)c(O)c1 ZINC000783840001 624399360 /nfs/dbraw/zinc/39/93/60/624399360.db2.gz YQRXHEUXWRJBLJ-UHFFFAOYSA-N 0 0 306.358 3.184 20 10 DGCDRN O=C(N[C@@H]1CC[C@@H](Cc2ccccc2)C1)c1cccc(O)c1O ZINC000783852941 624400578 /nfs/dbraw/zinc/40/05/78/624400578.db2.gz YGELKWWMBRQPME-LSDHHAIUSA-N 0 0 311.381 3.239 20 10 DGCDRN COc1cccc2c1N(C(=O)/C=C\c1cnccc1C)CCC2 ZINC000783891507 624405565 /nfs/dbraw/zinc/40/55/65/624405565.db2.gz OHSGCFWGERIKAU-HJWRWDBZSA-N 0 0 308.381 3.391 20 10 DGCDRN CS[C@@H](CNC(=O)NCc1ccc(N(C)C)cc1)C(C)(C)C ZINC000783925488 624409257 /nfs/dbraw/zinc/40/92/57/624409257.db2.gz ZBBDBVHPGCWCLL-HNNXBMFYSA-N 0 0 323.506 3.330 20 10 DGCDRN C[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC(C)(C)C1 ZINC000783931174 624410825 /nfs/dbraw/zinc/41/08/25/624410825.db2.gz ZADZXXHZKNWALI-CQSZACIVSA-N 0 0 303.450 3.330 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3cccnc3C3CC3)ccc21 ZINC000783942660 624411499 /nfs/dbraw/zinc/41/14/99/624411499.db2.gz PSFREOKIXOYVEQ-UHFFFAOYSA-N 0 0 321.424 3.271 20 10 DGCDRN C[C@H](NC(=O)Nc1ccnn1[C@@H](C)C1CC1)c1ccccc1O ZINC000879272325 624477410 /nfs/dbraw/zinc/47/74/10/624477410.db2.gz ACCDQYNXFGGBGA-RYUDHWBXSA-N 0 0 314.389 3.442 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)NC1(C(F)(F)F)CCC1 ZINC000879380901 624523901 /nfs/dbraw/zinc/52/39/01/624523901.db2.gz AYJOSWVFDBOQMQ-UHFFFAOYSA-N 0 0 322.714 3.330 20 10 DGCDRN COC(=O)COc1ccc(N(C)Cc2cc(F)ccc2F)cc1 ZINC000784568119 624550118 /nfs/dbraw/zinc/55/01/18/624550118.db2.gz VJKUDBORSLTJHZ-UHFFFAOYSA-N 0 0 321.323 3.153 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC[C@H]2CCOC2)cc1 ZINC000784590462 624554457 /nfs/dbraw/zinc/55/44/57/624554457.db2.gz RYFILVQHRGGLJH-INIZCTEOSA-N 0 0 312.413 3.251 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)C3=CCCCC3)CC2)cc1 ZINC000127822495 624580471 /nfs/dbraw/zinc/58/04/71/624580471.db2.gz YBSSRYRLGYAHSW-UHFFFAOYSA-N 0 0 314.429 3.281 20 10 DGCDRN COC(C)(C)CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000784938286 624600947 /nfs/dbraw/zinc/60/09/47/624600947.db2.gz PTTLVOZJPXOUMD-UHFFFAOYSA-N 0 0 304.434 3.108 20 10 DGCDRN C[C@@H](NCc1nc(CCc2ccccc2)no1)c1ccccc1O ZINC000879648533 624621563 /nfs/dbraw/zinc/62/15/63/624621563.db2.gz SJPBBYDIIUAYQD-CQSZACIVSA-N 0 0 323.396 3.411 20 10 DGCDRN CC(C)CO[C@@H](C)c1noc(CN[C@@H](C)c2ccccc2O)n1 ZINC000879651015 624624377 /nfs/dbraw/zinc/62/43/77/624624377.db2.gz DPKAHNZQRGQHFZ-STQMWFEESA-N 0 0 319.405 3.360 20 10 DGCDRN COc1ccc(N(C)C[C@H](C)NC(=O)OC(C)(C)C)cc1OC ZINC000785442742 624667715 /nfs/dbraw/zinc/66/77/15/624667715.db2.gz WHBCUIKDIYHAGI-LBPRGKRZSA-N 0 0 324.421 3.053 20 10 DGCDRN CO[C@H](C)C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000785571867 624689246 /nfs/dbraw/zinc/68/92/46/624689246.db2.gz BWQUZEAMCFGEJS-HTQZYQBOSA-N 0 0 322.630 3.494 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCc1cccc2cc[nH]c21 ZINC000786260776 624839304 /nfs/dbraw/zinc/83/93/04/624839304.db2.gz PGQRUQJYTWGBMM-UHFFFAOYSA-N 0 0 309.369 3.215 20 10 DGCDRN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cc(Cl)cc(C)c1O ZINC000786578120 624924871 /nfs/dbraw/zinc/92/48/71/624924871.db2.gz HUNXIVUBPUAPET-DFBGVHRSSA-N 0 0 323.820 3.128 20 10 DGCDRN Cc1cccc(C[C@H](CO)[NH2+]Cc2cc(Cl)cc(F)c2[O-])c1 ZINC000786579193 624925062 /nfs/dbraw/zinc/92/50/62/624925062.db2.gz MZPKUBSNYCPHEG-OAHLLOKOSA-N 0 0 323.795 3.186 20 10 DGCDRN Cc1sccc1CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000786848144 624958837 /nfs/dbraw/zinc/95/88/37/624958837.db2.gz HVUPHKYLBZOEDI-UHFFFAOYSA-N 0 0 306.406 3.121 20 10 DGCDRN Cc1ccc(N[C@H](C)c2ccccc2O)cc1N1CCNC1=O ZINC000786987507 624970528 /nfs/dbraw/zinc/97/05/28/624970528.db2.gz HBCHRFFHSLCXKP-CYBMUJFWSA-N 0 0 311.385 3.403 20 10 DGCDRN CC(=Cc1cccc([N+](=O)[O-])c1)C=C1SC(=S)NC1=O ZINC000787166548 624984336 /nfs/dbraw/zinc/98/43/36/624984336.db2.gz ATXFFAWOTQUQJJ-CWQCMXISSA-N 0 0 306.368 3.030 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)C2CC2)cc1 ZINC000787402269 625007438 /nfs/dbraw/zinc/00/74/38/625007438.db2.gz UJOFZURMROKKSI-BCDXTJNWSA-N 0 0 313.445 3.225 20 10 DGCDRN CCOC(=O)[C@@H](CC)N(Cc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000787441546 625011066 /nfs/dbraw/zinc/01/10/66/625011066.db2.gz XNXGYEFCHLRTBK-MRXNPFEDSA-N 0 0 322.424 3.198 20 10 DGCDRN Cc1ccc(Cl)cc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000128562833 625013534 /nfs/dbraw/zinc/01/35/34/625013534.db2.gz WUXJGUAYZOQVMU-UHFFFAOYSA-N 0 0 320.776 3.424 20 10 DGCDRN COc1cc(C)cc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1C ZINC000787662928 625031194 /nfs/dbraw/zinc/03/11/94/625031194.db2.gz ZYIQGTALEQXSNS-ALCCZGGFSA-N 0 0 313.353 3.375 20 10 DGCDRN C[C@@H](NC(=O)C1=CC(=O)CS1)c1nc(C(F)(F)F)cs1 ZINC000787987197 625083699 /nfs/dbraw/zinc/08/36/99/625083699.db2.gz AGGMCJFHAMNWCP-RXMQYKEDSA-N 0 0 322.333 3.420 20 10 DGCDRN Cc1cc([C@H](C)NCc2ccc(N3CCSCC3)cc2)no1 ZINC000788543342 625212863 /nfs/dbraw/zinc/21/28/63/625212863.db2.gz UKLIUCCJMQEIQQ-AWEZNQCLSA-N 0 0 317.458 3.387 20 10 DGCDRN CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788590847 625221278 /nfs/dbraw/zinc/22/12/78/625221278.db2.gz HBEZBEANPYSSOV-KWBADKCTSA-N 0 0 305.340 3.469 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cccc(C(F)(F)F)c1[O-] ZINC000788607660 625227128 /nfs/dbraw/zinc/22/71/28/625227128.db2.gz LYFYOKCYXBNCON-ZWKOPEQDSA-N 0 0 303.324 3.365 20 10 DGCDRN c1cn(-c2ccccc2)c(CNCc2ccc3c(c2)CCO3)n1 ZINC000790954937 625721664 /nfs/dbraw/zinc/72/16/64/625721664.db2.gz GCXUTMKRCORSRT-UHFFFAOYSA-N 0 0 305.381 3.097 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000790966353 625724657 /nfs/dbraw/zinc/72/46/57/625724657.db2.gz MAYXATSVLADYLR-ZDUSSCGKSA-N 0 0 313.731 3.147 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C1(CCO)CCCCC1 ZINC000790972011 625726998 /nfs/dbraw/zinc/72/69/98/625726998.db2.gz BKOWMHJCECIVLM-UHFFFAOYSA-N 0 0 301.789 3.360 20 10 DGCDRN Oc1ccc(Cl)c(F)c1CNc1cnn(-c2ccccn2)c1 ZINC000790980533 625728677 /nfs/dbraw/zinc/72/86/77/625728677.db2.gz AUBAHGYNTCBJSU-UHFFFAOYSA-N 0 0 318.739 3.378 20 10 DGCDRN C[C@@H]1C[C@@H](CC[NH2+]Cc2c([O-])ccc(Cl)c2F)CCO1 ZINC000790986264 625731403 /nfs/dbraw/zinc/73/14/03/625731403.db2.gz LJEWPRGPIMVQBB-MNOVXSKESA-N 0 0 301.789 3.480 20 10 DGCDRN C[C@H](CCO)C1(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CCC1 ZINC000790991701 625731747 /nfs/dbraw/zinc/73/17/47/625731747.db2.gz ZOJYZRZUZPRVGK-LLVKDONJSA-N 0 0 315.816 3.463 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H](CO)c1ccsc1 ZINC000790989453 625731826 /nfs/dbraw/zinc/73/18/26/625731826.db2.gz DCRVKBDQFMVYFQ-LLVKDONJSA-N 0 0 301.770 3.069 20 10 DGCDRN O=C(NC[C@@H]1CCCN(c2ccccc2)C1)C1=CC(=O)CS1 ZINC000791033132 625742321 /nfs/dbraw/zinc/74/23/21/625742321.db2.gz WNGZGZKNRGGFHJ-ZDUSSCGKSA-N 0 0 316.426 3.100 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)c1ncccc1F ZINC000791389819 625789662 /nfs/dbraw/zinc/78/96/62/625789662.db2.gz XTNWJLDWVWWBEF-ZDUSSCGKSA-N 0 0 316.376 3.469 20 10 DGCDRN Cc1cc(O)ccc1NS(=O)(=O)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000882706751 625793734 /nfs/dbraw/zinc/79/37/34/625793734.db2.gz ZGXNAYKRMNYEQW-HOCLYGCPSA-N 0 0 321.373 3.138 20 10 DGCDRN Cc1ccc2c(c1)C(=O)N(C)[C@@H](c1ccc3c(c1)CCN3C)N2 ZINC000130286481 625834535 /nfs/dbraw/zinc/83/45/35/625834535.db2.gz YEEYMGNAESLKSE-SFHVURJKSA-N 0 0 307.397 3.184 20 10 DGCDRN Cc1ccccc1/C=C1/SC(=S)N(Cc2ccon2)C1=O ZINC000130319960 625836859 /nfs/dbraw/zinc/83/68/59/625836859.db2.gz ZYLONPWLSZRLAK-MDWZMJQESA-N 0 0 316.407 3.384 20 10 DGCDRN Cc1ccc(/C=C2/SC(=S)N(Cc3ccon3)C2=O)s1 ZINC000130350928 625840094 /nfs/dbraw/zinc/84/00/94/625840094.db2.gz MBBHTVNFAUQLNH-IZZDOVSWSA-N 0 0 322.436 3.446 20 10 DGCDRN Oc1c(F)cc(F)cc1CNc1cccc(N2CCOCC2)c1 ZINC000882909230 625855197 /nfs/dbraw/zinc/85/51/97/625855197.db2.gz OXTHBTLAXXLIKG-UHFFFAOYSA-N 0 0 320.339 3.119 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cc(F)c(F)cc1F ZINC000130656323 625885526 /nfs/dbraw/zinc/88/55/26/625885526.db2.gz QXIPCUQAWONYHY-UHFFFAOYSA-N 0 0 322.330 3.408 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@H](O)c1ccc(F)cc1 ZINC000883003792 625895021 /nfs/dbraw/zinc/89/50/21/625895021.db2.gz HXONSJOEPJETFI-PSLIRLAXSA-N 0 0 311.303 3.021 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H](CCCO)c1ccccc1 ZINC000883016656 625898677 /nfs/dbraw/zinc/89/86/77/625898677.db2.gz HJXIKSFUXVHFLS-MRXNPFEDSA-N 0 0 307.340 3.274 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2[C@H](C)C[C@H]2C)cc1F ZINC000792079279 625907976 /nfs/dbraw/zinc/90/79/76/625907976.db2.gz IYMPVRZKZLJVSL-CHWSQXEVSA-N 0 0 307.413 3.364 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000883076301 625917224 /nfs/dbraw/zinc/91/72/24/625917224.db2.gz ZJFLPMLJBJPHRV-WQVCFCJDSA-N 0 0 309.356 3.108 20 10 DGCDRN CN(CC[C@H]1CCCC[N@@H+]1C)Cc1c([O-])ccc(Cl)c1F ZINC000792165938 625917735 /nfs/dbraw/zinc/91/77/35/625917735.db2.gz MXUNGWPLUPKLGE-GFCCVEGCSA-N 0 0 314.832 3.491 20 10 DGCDRN CO[C@@H](C)[C@H](C)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000883100457 625927771 /nfs/dbraw/zinc/92/77/71/625927771.db2.gz YKGHINVSVPVUJI-YUMQZZPRSA-N 0 0 322.630 3.321 20 10 DGCDRN COc1cc(N(C)Cc2cc(C)ccn2)cc(OC)c1OC ZINC000792232613 625929337 /nfs/dbraw/zinc/92/93/37/625929337.db2.gz USGNCWVOMKQETE-UHFFFAOYSA-N 0 0 302.374 3.052 20 10 DGCDRN Cc1cncc(/C=C/C(=O)N2C[C@H](C)Oc3cc(F)ccc32)c1 ZINC000131143557 625950881 /nfs/dbraw/zinc/95/08/81/625950881.db2.gz NKQIQHSHUUVRQS-YIALFULDSA-N 0 0 312.344 3.356 20 10 DGCDRN COc1ccc2c(c1)CCCN2CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000796305420 626037039 /nfs/dbraw/zinc/03/70/39/626037039.db2.gz LCAXKPWWBAKAFE-RHSMWYFYSA-N 0 0 316.445 3.143 20 10 DGCDRN CC[C@H]([NH2+]CCCN1CCCCCC1=O)c1ccc(F)cc1[O-] ZINC000796673060 626072186 /nfs/dbraw/zinc/07/21/86/626072186.db2.gz PXVGSKUGQAGQQR-INIZCTEOSA-N 0 0 322.424 3.365 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCCOC(C)(C)C ZINC000796801374 626084734 /nfs/dbraw/zinc/08/47/34/626084734.db2.gz HUZPDLWITJPXNZ-UHFFFAOYSA-N 0 0 320.433 3.073 20 10 DGCDRN CC[C@@H]([NH2+][C@H](CO)Cc1cccc(C)c1)c1ccc(F)cc1[O-] ZINC000796959506 626099964 /nfs/dbraw/zinc/09/99/64/626099964.db2.gz QPXCLMKEDKORHZ-FUHWJXTLSA-N 0 0 317.404 3.484 20 10 DGCDRN CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](CC)c2ccc(F)cc2[O-])C1 ZINC000796978043 626101468 /nfs/dbraw/zinc/10/14/68/626101468.db2.gz KVQLBRWIPCRSJN-ZLDLUXBVSA-N 0 0 309.381 3.304 20 10 DGCDRN CC[C@@H](C)CCC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000797075035 626110332 /nfs/dbraw/zinc/11/03/32/626110332.db2.gz SFEHLWUPZLUWAW-CQSZACIVSA-N 0 0 322.424 3.309 20 10 DGCDRN C[C@@H]1[C@@H](C(=O)NCc2ccc(N(C)C)cc2)[C@H]1c1ccccc1 ZINC000797422889 626142097 /nfs/dbraw/zinc/14/20/97/626142097.db2.gz ZXMWTHUVPLTXBR-GDIGMMSISA-N 0 0 308.425 3.419 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[C@H]2C2CC2)cc1 ZINC000797434342 626142418 /nfs/dbraw/zinc/14/24/18/626142418.db2.gz SFZZXXHLIAYMHF-DLBZAZTESA-N 0 0 301.434 3.131 20 10 DGCDRN COC(=O)/C=C/c1ccc(N2CC(C)=C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000797438744 626142833 /nfs/dbraw/zinc/14/28/33/626142833.db2.gz HGXZKRQHQYCGHG-PZBABLGHSA-N 0 0 316.357 3.183 20 10 DGCDRN COc1ccc(CNC(=O)Nc2ccc(C)c(F)c2)c(O)c1 ZINC000797607218 626159737 /nfs/dbraw/zinc/15/97/37/626159737.db2.gz JIKWMOUDDUEQCD-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN COc1ccc(CNC(=O)Nc2ccc3c(c2)CCC3)c(O)c1 ZINC000797608669 626159946 /nfs/dbraw/zinc/15/99/46/626159946.db2.gz VKNFRUJPANNVDI-UHFFFAOYSA-N 0 0 312.369 3.211 20 10 DGCDRN COc1ccc(CNC(=O)Nc2cccc3[nH]ccc32)c(O)c1 ZINC000797621677 626160450 /nfs/dbraw/zinc/16/04/50/626160450.db2.gz ONJWDUHZKBSTJM-UHFFFAOYSA-N 0 0 311.341 3.204 20 10 DGCDRN COc1cccc(CNC(=O)[C@@H]2[C@H](C)[C@@H]2c2ccccc2)c1O ZINC000797744976 626167106 /nfs/dbraw/zinc/16/71/06/626167106.db2.gz UCKHBWKEUNATNY-CSMYWGQOSA-N 0 0 311.381 3.067 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@@H]2[C@H](C)[C@@H]2c2ccccc2)c1 ZINC000797745142 626167125 /nfs/dbraw/zinc/16/71/25/626167125.db2.gz WNZNNQUBUPQJIU-NXOUGTEYSA-N 0 0 311.381 3.067 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@@H]2[C@H](C)[C@H]2c2ccccc2)c1 ZINC000797745143 626167167 /nfs/dbraw/zinc/16/71/67/626167167.db2.gz WNZNNQUBUPQJIU-OCBCSQNSSA-N 0 0 311.381 3.067 20 10 DGCDRN Oc1ccc2oc3c(c2c1CN1CC(OC(F)F)C1)CCCC3 ZINC000797820839 626171153 /nfs/dbraw/zinc/17/11/53/626171153.db2.gz QAQONVROSHZNIN-UHFFFAOYSA-N 0 0 323.339 3.441 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccnc2[nH]c(C)nc21 ZINC000797932060 626182004 /nfs/dbraw/zinc/18/20/04/626182004.db2.gz NZEXTOQJHTWYHL-UHFFFAOYSA-N 0 0 324.384 3.024 20 10 DGCDRN C[C@H](c1ncc(Br)cn1)N(C)Cc1ccccc1O ZINC000798194732 626201268 /nfs/dbraw/zinc/20/12/68/626201268.db2.gz AEVUWEHVHZXNFS-SNVBAGLBSA-N 0 0 322.206 3.138 20 10 DGCDRN O=[N+]([O-])c1ccc(Cl)cc1NCCc1ccc(O)c(O)c1 ZINC000798217329 626202565 /nfs/dbraw/zinc/20/25/65/626202565.db2.gz MTIRLUPJWGONFN-UHFFFAOYSA-N 0 0 308.721 3.314 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)c2ncccn2)cc1 ZINC000798234181 626204015 /nfs/dbraw/zinc/20/40/15/626204015.db2.gz KOUKXVVFQVYJMV-UHFFFAOYSA-N 0 0 306.369 3.161 20 10 DGCDRN CC[C@H]1CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCCO1 ZINC000798459962 626218891 /nfs/dbraw/zinc/21/88/91/626218891.db2.gz PMRPCMJTLUDCOQ-PBHICJAKSA-N 0 0 319.449 3.024 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCCCCC1CCOCC1 ZINC000798636970 626233735 /nfs/dbraw/zinc/23/37/35/626233735.db2.gz BSYPLXJZZNPPAX-FNORWQNLSA-N 0 0 320.385 3.251 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H](CO)CC1CCCC1 ZINC000798961388 626262967 /nfs/dbraw/zinc/26/29/67/626262967.db2.gz YXIIJHSYACVMGT-GFCCVEGCSA-N 0 0 315.816 3.463 20 10 DGCDRN CCN(C(=O)/C=C\c1cnn(C)c1)c1ccc(Cl)cc1F ZINC000799409439 626298788 /nfs/dbraw/zinc/29/87/88/626298788.db2.gz BUFNHSQNIPGNOP-DAXSKMNVSA-N 0 0 307.756 3.279 20 10 DGCDRN CCN(C(=O)/C=C/c1cnn(C)c1)c1ccc(Cl)cc1F ZINC000799409440 626298849 /nfs/dbraw/zinc/29/88/49/626298849.db2.gz BUFNHSQNIPGNOP-QPJJXVBHSA-N 0 0 307.756 3.279 20 10 DGCDRN Cc1cc(NS(=O)(=O)/C=C\c2ccccc2F)ccc1O ZINC000799923087 626335980 /nfs/dbraw/zinc/33/59/80/626335980.db2.gz ARPXVVZWIDFOIY-HJWRWDBZSA-N 0 0 307.346 3.252 20 10 DGCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)C(F)F)cc2Cl)C1 ZINC000800572401 626367922 /nfs/dbraw/zinc/36/79/22/626367922.db2.gz XBDVYEWSLLDMSI-SNVBAGLBSA-N 0 0 316.779 3.458 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1CCSCC1 ZINC000839918549 626371782 /nfs/dbraw/zinc/37/17/82/626371782.db2.gz MSAVMQHKLUCENU-CQSZACIVSA-N 0 0 320.502 3.251 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C[C@H]1CCCCO1 ZINC000839918929 626372628 /nfs/dbraw/zinc/37/26/28/626372628.db2.gz DRLGOHQBMHFOJN-MAUKXSAKSA-N 0 0 318.461 3.067 20 10 DGCDRN CCC(C)(C)OCC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839921192 626374095 /nfs/dbraw/zinc/37/40/95/626374095.db2.gz BCMKNSBODAPMQK-OAHLLOKOSA-N 0 0 320.477 3.313 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CSC(F)F ZINC000839921878 626374132 /nfs/dbraw/zinc/37/41/32/626374132.db2.gz LKVUIQDISNPSSW-LLVKDONJSA-N 0 0 316.417 3.064 20 10 DGCDRN COC1(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CCCC1 ZINC000839921702 626374147 /nfs/dbraw/zinc/37/41/47/626374147.db2.gz LYIHATWJCJIFLD-OAHLLOKOSA-N 0 0 318.461 3.067 20 10 DGCDRN CO[C@H](C)c1nsc(NCc2ccc(N3CCCC3)cc2)n1 ZINC000800847274 626379045 /nfs/dbraw/zinc/37/90/45/626379045.db2.gz WEUKFHKQHNZLMG-GFCCVEGCSA-N 0 0 318.446 3.458 20 10 DGCDRN CO[C@H](C)c1nsc(N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000800864763 626380668 /nfs/dbraw/zinc/38/06/68/626380668.db2.gz PXZGLEBXCYQSED-GHMZBOCLSA-N 0 0 306.435 3.485 20 10 DGCDRN Cc1ccc(C(=O)O[C@H](C)c2nc3ccccc3o2)c(O)c1O ZINC000801252409 626398450 /nfs/dbraw/zinc/39/84/50/626398450.db2.gz UQKOHHMSBSVQMY-SNVBAGLBSA-N 0 0 313.309 3.465 20 10 DGCDRN COc1ccc(N(C)Cc2ccc([N+](=O)[O-])c(F)c2)cc1OC ZINC000801512476 626406316 /nfs/dbraw/zinc/40/63/16/626406316.db2.gz WOLAWTCPSYKTNV-UHFFFAOYSA-N 0 0 320.320 3.388 20 10 DGCDRN O=C(Nc1ccc(OC(F)F)cc1F)c1cccc(O)c1O ZINC000801547499 626409214 /nfs/dbraw/zinc/40/92/14/626409214.db2.gz PUMVXAVQONPKFY-UHFFFAOYSA-N 0 0 313.231 3.091 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CC[C@H](CC)O1 ZINC000801545646 626409253 /nfs/dbraw/zinc/40/92/53/626409253.db2.gz DBIVCIDIUAFUPQ-DOTOQJQBSA-N 0 0 305.418 3.479 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc2cccnn21 ZINC000801549483 626409264 /nfs/dbraw/zinc/40/92/64/626409264.db2.gz PWEGNJFAQDALTO-UHFFFAOYSA-N 0 0 323.396 3.482 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)CC1(O)CCCC1 ZINC000801547848 626409315 /nfs/dbraw/zinc/40/93/15/626409315.db2.gz BJGUYNPZGPSWAQ-UHFFFAOYSA-N 0 0 305.418 3.216 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCOC[C@H]1C ZINC000802304663 626558548 /nfs/dbraw/zinc/55/85/48/626558548.db2.gz JGRYFCCKJNAKMH-ZBFHGGJFSA-N 0 0 320.433 3.129 20 10 DGCDRN CCc1oc(CN(C)c2ccc(OC)c(F)c2)cc1C(=O)OC ZINC000802646526 626564624 /nfs/dbraw/zinc/56/46/24/626564624.db2.gz MGIAUCZBDWIFAH-UHFFFAOYSA-N 0 0 321.348 3.413 20 10 DGCDRN COc1ccc(CNC(=O)Cc2coc3ccccc23)c(O)c1 ZINC000803292444 626602738 /nfs/dbraw/zinc/60/27/38/626602738.db2.gz PUNCYHJYGOIMPY-UHFFFAOYSA-N 0 0 311.337 3.006 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Cc2ccc(F)cc2F)c1 ZINC000131350402 626627371 /nfs/dbraw/zinc/62/73/71/626627371.db2.gz PJZMOFOFXDMVMU-SNVBAGLBSA-N 0 0 321.323 3.099 20 10 DGCDRN O=C(COC(=O)C(C1CCC1)C1CCC1)c1ccc(O)c(O)c1 ZINC000803788364 626639828 /nfs/dbraw/zinc/63/98/28/626639828.db2.gz QGIRMIZKZGSUFS-UHFFFAOYSA-N 0 0 318.369 3.040 20 10 DGCDRN CCN(CC)c1ccc(CNC2(c3ncccn3)CCC2)cc1 ZINC000883308274 626641899 /nfs/dbraw/zinc/64/18/99/626641899.db2.gz LMEFIFILTJWANH-UHFFFAOYSA-N 0 0 310.445 3.492 20 10 DGCDRN CCN1CC[C@H]1C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000883355418 626658535 /nfs/dbraw/zinc/65/85/35/626658535.db2.gz QHNNQYMZLSGMJE-ZJUUUORDSA-N 0 0 303.233 3.444 20 10 DGCDRN O=C(/C=C/c1cncc(F)c1)N1CCc2cc(Cl)ccc21 ZINC000804346882 626671847 /nfs/dbraw/zinc/67/18/47/626671847.db2.gz VTDKDSIXVJUNAD-DAFODLJHSA-N 0 0 302.736 3.477 20 10 DGCDRN COc1cccc(CNc2ccc([N+](=O)[O-])cc2C(C)=O)c1O ZINC000804424929 626678290 /nfs/dbraw/zinc/67/82/90/626678290.db2.gz QBXISCDKPYHMBK-UHFFFAOYSA-N 0 0 316.313 3.124 20 10 DGCDRN CC(=O)c1cc([N+](=O)[O-])ccc1N(C)Cc1ccccc1O ZINC000804577678 626694322 /nfs/dbraw/zinc/69/43/22/626694322.db2.gz HRUJFBHBPLJVSK-UHFFFAOYSA-N 0 0 300.314 3.139 20 10 DGCDRN CC[C@H]([NH2+][C@H](CCO)CSC)c1cccc(Cl)c1[O-] ZINC000806139442 626701040 /nfs/dbraw/zinc/70/10/40/626701040.db2.gz AOHCBJOULBEIHJ-MFKMUULPSA-N 0 0 303.855 3.200 20 10 DGCDRN CC[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1cccc(Cl)c1[O-] ZINC000806146625 626702394 /nfs/dbraw/zinc/70/23/94/626702394.db2.gz WCLABVWYSNMSRN-ZDUSSCGKSA-N 0 0 312.841 3.391 20 10 DGCDRN Nc1ccc(NC(=O)N2CCCC[C@H](C3CCOCC3)C2)cc1 ZINC000883569625 626706813 /nfs/dbraw/zinc/70/68/13/626706813.db2.gz DZYKSJLRBWDXGI-HNNXBMFYSA-N 0 0 317.433 3.329 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCCC1(F)F ZINC000806822294 626735789 /nfs/dbraw/zinc/73/57/89/626735789.db2.gz ZAJOQCWZULJQEH-CQSZACIVSA-N 0 0 311.376 3.048 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CSC[C@H]1C ZINC000807477655 626758409 /nfs/dbraw/zinc/75/84/09/626758409.db2.gz VRWPPKZJHOZGST-CZUORRHYSA-N 0 0 321.490 3.036 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)C1CC(OCC)C1 ZINC000807486012 626758868 /nfs/dbraw/zinc/75/88/68/626758868.db2.gz JYPAGISIZJNJOV-UHFFFAOYSA-N 0 0 305.418 3.336 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CCCC1(F)F ZINC000807597352 626762563 /nfs/dbraw/zinc/76/25/63/626762563.db2.gz ZXQRMQQLBYZSIE-HNNXBMFYSA-N 0 0 324.371 3.258 20 10 DGCDRN Cn1ccnc1[C@@H]1N(Cc2c(O)ccc3ccncc32)CC1(C)C ZINC000840110654 626765428 /nfs/dbraw/zinc/76/54/28/626765428.db2.gz SFNIIKAPOBDUEE-KRWDZBQOSA-N 0 0 322.412 3.257 20 10 DGCDRN C[C@H](NC(=O)C1=CC(=O)CS1)c1nccn1-c1ccccc1 ZINC000807811097 626770211 /nfs/dbraw/zinc/77/02/11/626770211.db2.gz WQAJYMUIEUYPGO-NSHDSACASA-N 0 0 313.382 3.130 20 10 DGCDRN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)c1cc(OC)ccc1O ZINC000807961729 626780213 /nfs/dbraw/zinc/78/02/13/626780213.db2.gz CBABUHGVOFMNEL-VIFPVBQESA-N 0 0 320.349 3.007 20 10 DGCDRN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)c1cc(OC)ccc1O ZINC000807961728 626780389 /nfs/dbraw/zinc/78/03/89/626780389.db2.gz CBABUHGVOFMNEL-SECBINFHSA-N 0 0 320.349 3.007 20 10 DGCDRN CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc(N(C)C)cc1C ZINC000807976245 626781318 /nfs/dbraw/zinc/78/13/18/626781318.db2.gz IHXLRMHHSIPSJE-UHFFFAOYSA-N 0 0 317.393 3.106 20 10 DGCDRN Cc1cc(O)ccc1NS(=O)(=O)c1ccc(C(F)F)cc1 ZINC000808093830 626792218 /nfs/dbraw/zinc/79/22/18/626792218.db2.gz VTSOGPBULZDTCG-UHFFFAOYSA-N 0 0 313.325 3.439 20 10 DGCDRN CO[C@H](C)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000800046628 626798877 /nfs/dbraw/zinc/79/88/77/626798877.db2.gz ANCIQRNANDBKAI-CHWSQXEVSA-N 0 0 324.852 3.227 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC2(CCC2)C1 ZINC000133596564 626819047 /nfs/dbraw/zinc/81/90/47/626819047.db2.gz ILPIGGZSHOIJFE-UHFFFAOYSA-N 0 0 301.434 3.147 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H]1COc2ccccc21 ZINC000808450793 626826116 /nfs/dbraw/zinc/82/61/16/626826116.db2.gz AMQDXXBFWYTEDQ-JTQLQIEISA-N 0 0 307.752 3.451 20 10 DGCDRN FC(F)C1(NCc2ccc(N3CCOCC3)cc2)CCCC1 ZINC000808452015 626826289 /nfs/dbraw/zinc/82/62/89/626826289.db2.gz UXTFYTVQSUZVRJ-UHFFFAOYSA-N 0 0 310.388 3.191 20 10 DGCDRN CC(=O)C(=O)COC(=O)c1c2ccccc2cc2ccccc21 ZINC000808487609 626831720 /nfs/dbraw/zinc/83/17/20/626831720.db2.gz DUPSHWNIZUNMRT-UHFFFAOYSA-N 0 0 306.317 3.308 20 10 DGCDRN CC(=O)C(=O)COC(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000808521279 626835865 /nfs/dbraw/zinc/83/58/65/626835865.db2.gz MLZYROVTKGUSCT-UHFFFAOYSA-N 0 0 322.788 3.144 20 10 DGCDRN O=C(NCc1ccccc1O)c1ccc(Br)c(F)c1 ZINC000133747603 626836319 /nfs/dbraw/zinc/83/63/19/626836319.db2.gz ZOGGRDYQTXORCJ-UHFFFAOYSA-N 0 0 324.149 3.224 20 10 DGCDRN CC(=O)C(=O)COC(=O)C(C)=Cc1c(Cl)cccc1Cl ZINC000808537376 626837993 /nfs/dbraw/zinc/83/79/93/626837993.db2.gz NEPHHCYWBPYQRF-VURMDHGXSA-N 0 0 315.152 3.098 20 10 DGCDRN CCc1nnc([C@H](C)N[C@H](C)c2cc(Cl)cc(C)c2O)[nH]1 ZINC000808710220 626852513 /nfs/dbraw/zinc/85/25/13/626852513.db2.gz MWDCCOLTWNPQCY-ZJUUUORDSA-N 0 0 308.813 3.446 20 10 DGCDRN CCCCN(C)C[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000808733339 626856384 /nfs/dbraw/zinc/85/63/84/626856384.db2.gz UVGCPXRGMUKAOK-QWHCGFSZSA-N 0 0 309.410 3.071 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2c(C)cccc2F)c1 ZINC000134148889 626859476 /nfs/dbraw/zinc/85/94/76/626859476.db2.gz ILOYVIONFPJQSJ-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN COCC[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000134906310 626891289 /nfs/dbraw/zinc/89/12/89/626891289.db2.gz RGTPNAQZPQZVPW-ZETCQYMHSA-N 0 0 308.603 3.105 20 10 DGCDRN Oc1ccc2ccncc2c1CN1CC(F)(F)C(F)(F)C1 ZINC000840166011 626899230 /nfs/dbraw/zinc/89/92/30/626899230.db2.gz LHXJGNYRZLCERM-UHFFFAOYSA-N 0 0 300.255 3.027 20 10 DGCDRN CC(C)(C)c1cc(O)c(O)c(CN2CCO[C@@H](C3CCC3)C2)c1 ZINC000840177115 626913757 /nfs/dbraw/zinc/91/37/57/626913757.db2.gz VCCOGCZQASZCNW-QGZVFWFLSA-N 0 0 319.445 3.396 20 10 DGCDRN COc1cc(CCO)ccc1NCc1cc(Cl)ccc1O ZINC000809654764 626933382 /nfs/dbraw/zinc/93/33/82/626933382.db2.gz OGSXVRWXEABOJS-UHFFFAOYSA-N 0 0 307.777 3.201 20 10 DGCDRN CC[C@@H]1CN(Cc2cc(Cl)cc(C)c2O)C[C@H](C)[S@]1=O ZINC000809700119 626938043 /nfs/dbraw/zinc/93/80/43/626938043.db2.gz XVLDTHDGWDOUHA-GZNWPSJOSA-N 0 0 315.866 3.085 20 10 DGCDRN Cc1cc(Cl)cc(CN2CCOc3cc(O)ccc3C2)c1O ZINC000809704515 626939144 /nfs/dbraw/zinc/93/91/44/626939144.db2.gz BGKZFARVMVISMF-UHFFFAOYSA-N 0 0 319.788 3.454 20 10 DGCDRN C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1c([O-])ccc(Cl)c1F ZINC000809703677 626939522 /nfs/dbraw/zinc/93/95/22/626939522.db2.gz OIFZJOHYJQCPCE-NWDGAFQWSA-N 0 0 312.816 3.243 20 10 DGCDRN C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000809724017 626941895 /nfs/dbraw/zinc/94/18/95/626941895.db2.gz CUKNVMPEOPQTII-IAQYHMDHSA-N 0 0 312.816 3.243 20 10 DGCDRN C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1c([O-])ccc(Cl)c1F ZINC000809724114 626941908 /nfs/dbraw/zinc/94/19/08/626941908.db2.gz DYZXHTPPQUKPCV-FZMZJTMJSA-N 0 0 312.816 3.243 20 10 DGCDRN C[N@H+](Cc1ccc(O)cc1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000809753984 626946668 /nfs/dbraw/zinc/94/66/68/626946668.db2.gz YLXRZJYCJLVIJO-UHFFFAOYSA-N 0 0 322.748 3.291 20 10 DGCDRN Cc1nccn1CCC[N@@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000809753516 626946817 /nfs/dbraw/zinc/94/68/17/626946817.db2.gz VFGCBCAGEZXWBZ-UHFFFAOYSA-N 0 0 311.788 3.212 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000885223162 626988026 /nfs/dbraw/zinc/98/80/26/626988026.db2.gz YRFBDHXZGUWAEP-YATBESMWSA-N 0 0 313.397 3.148 20 10 DGCDRN Cc1cccc2c1OC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])C2 ZINC000810259515 626994111 /nfs/dbraw/zinc/99/41/11/626994111.db2.gz KLSOKKBRPXQNFJ-WFASDCNBSA-N 0 0 301.361 3.494 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cc(O)ccc2Cl)cc1F ZINC000810265995 626995338 /nfs/dbraw/zinc/99/53/38/626995338.db2.gz SWZPQJHTWYZWNW-UHFFFAOYSA-N 0 0 322.767 3.181 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(O)ccc2Cl)c1 ZINC000810348416 627002764 /nfs/dbraw/zinc/00/27/64/627002764.db2.gz VXQXEUUDFBXVPZ-VIFPVBQESA-N 0 0 321.760 3.251 20 10 DGCDRN COc1ccc(O)c(CNC(=O)CCc2ccc(C)s2)c1 ZINC000810404034 627004527 /nfs/dbraw/zinc/00/45/27/627004527.db2.gz BTTUZPGLHQHHHR-UHFFFAOYSA-N 0 0 305.399 3.020 20 10 DGCDRN O=C(NC[C@]12C[C@H]1CCC2)c1cc2cc(O)c(O)cc2s1 ZINC000885991853 627077951 /nfs/dbraw/zinc/07/79/51/627077951.db2.gz WBYXWMOIFVSARN-HWPZZCPQSA-N 0 0 303.383 3.233 20 10 DGCDRN Cc1cc(NS(=O)(=O)c2ccc(F)c(Cl)c2)ccc1O ZINC000136492104 627092677 /nfs/dbraw/zinc/09/26/77/627092677.db2.gz NEGCEVVPVOKRMB-UHFFFAOYSA-N 0 0 315.753 3.294 20 10 DGCDRN CN(c1ccc(CNC(=O)C2CC(=O)C2)cc1)C1CCCCC1 ZINC000136692447 627103127 /nfs/dbraw/zinc/10/31/27/627103127.db2.gz WIDKEWGCDNRINW-UHFFFAOYSA-N 0 0 314.429 3.051 20 10 DGCDRN Cc1cc(F)ccc1C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000137352286 627119524 /nfs/dbraw/zinc/11/95/24/627119524.db2.gz WEAUKSYWPOKIOU-UHFFFAOYSA-N 0 0 314.360 3.223 20 10 DGCDRN CCN(CC)c1ccc(CN[C@@H](CCO)C(F)(F)F)cc1F ZINC000886371978 627144410 /nfs/dbraw/zinc/14/44/10/627144410.db2.gz ZKYNMMDQURIJNQ-AWEZNQCLSA-N 0 0 322.346 3.075 20 10 DGCDRN COc1ccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)cc1OC ZINC000886489708 627152422 /nfs/dbraw/zinc/15/24/22/627152422.db2.gz PABUDAQEKBVHLX-NSHDSACASA-N 0 0 305.349 3.399 20 10 DGCDRN C[C@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)c1c([O-])cccc1F ZINC000886509031 627154639 /nfs/dbraw/zinc/15/46/39/627154639.db2.gz XWCOPKKRIAKOCZ-WFASDCNBSA-N 0 0 305.397 3.493 20 10 DGCDRN C[C@@H]([NH2+]CCC(=O)NC1CCCCC1)c1c([O-])cccc1F ZINC000886508550 627154672 /nfs/dbraw/zinc/15/46/72/627154672.db2.gz DPHBTLTUURYHPR-GFCCVEGCSA-N 0 0 308.397 3.021 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1c([O-])cccc1F ZINC000886511326 627155040 /nfs/dbraw/zinc/15/50/40/627155040.db2.gz QKPLTMOLYRFULZ-UKRRQHHQSA-N 0 0 303.377 3.033 20 10 DGCDRN COc1nc(C)cc(C)c1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886522429 627156831 /nfs/dbraw/zinc/15/68/31/627156831.db2.gz JABXLQODTNEFFH-GFCCVEGCSA-N 0 0 304.365 3.403 20 10 DGCDRN Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886532917 627158279 /nfs/dbraw/zinc/15/82/79/627158279.db2.gz RAHGSIYKDTXRPN-CMPLNLGQSA-N 0 0 305.397 3.163 20 10 DGCDRN CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)c2c([O-])cccc2F)C1 ZINC000886536706 627158799 /nfs/dbraw/zinc/15/87/99/627158799.db2.gz NNEQOQHOPMIXCE-NJKWTTEGSA-N 0 0 313.438 3.262 20 10 DGCDRN CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2c([O-])cccc2F)C1 ZINC000886536707 627159023 /nfs/dbraw/zinc/15/90/23/627159023.db2.gz NNEQOQHOPMIXCE-WPGAZNDASA-N 0 0 313.438 3.262 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1c([O-])cccc1F ZINC000886550435 627161530 /nfs/dbraw/zinc/16/15/30/627161530.db2.gz ZTVASUZNRBXMMG-OTYXRUKQSA-N 0 0 311.303 3.194 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1c([O-])cccc1F ZINC000886609231 627172673 /nfs/dbraw/zinc/17/26/73/627172673.db2.gz OYCGJHMCVTWPOW-AMXDTQDGSA-N 0 0 321.417 3.261 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)c1c([O-])cccc1F ZINC000886632853 627177117 /nfs/dbraw/zinc/17/71/17/627177117.db2.gz HRXXXQSEOOIPJQ-XHDPSFHLSA-N 0 0 314.360 3.135 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CCc2ccccc2NC1=O)c1c([O-])cccc1F ZINC000886632850 627177408 /nfs/dbraw/zinc/17/74/08/627177408.db2.gz HRXXXQSEOOIPJQ-ABAIWWIYSA-N 0 0 314.360 3.135 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1)c1c([O-])cccc1F ZINC000886637611 627177694 /nfs/dbraw/zinc/17/76/94/627177694.db2.gz ASAZSCZOWCVIGZ-NOLJZWGESA-N 0 0 317.408 3.327 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc2c([nH]c1=O)CCCC2)c1c([O-])cccc1F ZINC000886650531 627180846 /nfs/dbraw/zinc/18/08/46/627180846.db2.gz YMWQVBUZASCYHZ-LLVKDONJSA-N 0 0 316.376 3.362 20 10 DGCDRN C[C@H]([NH2+]Cc1cc2c([nH]c1=O)CCCC2)c1c([O-])cccc1F ZINC000886650532 627180978 /nfs/dbraw/zinc/18/09/78/627180978.db2.gz YMWQVBUZASCYHZ-NSHDSACASA-N 0 0 316.376 3.362 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000886676693 627187431 /nfs/dbraw/zinc/18/74/31/627187431.db2.gz KSJLYGLJCDEJKT-DOTOQJQBSA-N 0 0 321.367 3.315 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CCC2(CCC2)CO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000886730488 627198380 /nfs/dbraw/zinc/19/83/80/627198380.db2.gz FGGBMEGSDHUFCH-GXTWGEPZSA-N 0 0 320.389 3.300 20 10 DGCDRN Cc1cccc2c1OC[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])C2 ZINC000811517922 627286319 /nfs/dbraw/zinc/28/63/19/627286319.db2.gz DIHDIMXKBPGFSP-AWEZNQCLSA-N 0 0 303.789 3.447 20 10 DGCDRN O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)C1=CC(=O)CS1 ZINC000811564195 627291129 /nfs/dbraw/zinc/29/11/29/627291129.db2.gz UPRVNJGJRXUQHB-ZIAGYGMSSA-N 0 0 303.383 3.104 20 10 DGCDRN COC[C@H](NC(=O)C1=CC(=O)CS1)c1cccc(Cl)c1 ZINC000811582726 627291578 /nfs/dbraw/zinc/29/15/78/627291578.db2.gz IGRBFDUXYWXYLL-LBPRGKRZSA-N 0 0 311.790 3.225 20 10 DGCDRN CO[C@H]1CC[N@H+](Cc2cccc(Br)c2[O-])[C@@H](C)C1 ZINC000302276894 627317095 /nfs/dbraw/zinc/31/70/95/627317095.db2.gz BJDPUBUFIHERKU-JQWIXIFHSA-N 0 0 314.223 3.154 20 10 DGCDRN C[C@]12CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000887871501 627334159 /nfs/dbraw/zinc/33/41/59/627334159.db2.gz BAPSQBRYEDPUOA-SCGCMHLBSA-N 0 0 324.384 3.133 20 10 DGCDRN C[C@@H](CNC(=O)NCc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000840245760 627351086 /nfs/dbraw/zinc/35/10/86/627351086.db2.gz YBHQWURLYXYRGJ-LLVKDONJSA-N 0 0 317.355 3.140 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Nc2ccns2)cc1 ZINC000889127132 627383734 /nfs/dbraw/zinc/38/37/34/627383734.db2.gz SNMSTDVWRREFOT-UHFFFAOYSA-N 0 0 304.419 3.311 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H](C)[C@@H](C)COC)cc1 ZINC000812453774 627388249 /nfs/dbraw/zinc/38/82/49/627388249.db2.gz TUQZDKCBLNKIEX-JKSUJKDBSA-N 0 0 320.477 3.410 20 10 DGCDRN COC[C@H](C)[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000812461126 627389270 /nfs/dbraw/zinc/38/92/70/627389270.db2.gz HQNCZOABJGSDDG-LSDHHAIUSA-N 0 0 318.461 3.162 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H](C)[C@@H](C)COC)cc1 ZINC000812477475 627390758 /nfs/dbraw/zinc/39/07/58/627390758.db2.gz PJCUNCLJGJCKCP-LSDHHAIUSA-N 0 0 306.450 3.068 20 10 DGCDRN Cc1cc(CCNC(=O)c2cccc(O)c2O)ccc1Cl ZINC000812585991 627400262 /nfs/dbraw/zinc/40/02/62/627400262.db2.gz OAZIDAWJULTGMC-UHFFFAOYSA-N 0 0 305.761 3.032 20 10 DGCDRN O=C(OCc1cncc(C(F)(F)F)c1)C1=CC(=O)CS1 ZINC000812586158 627400355 /nfs/dbraw/zinc/40/03/55/627400355.db2.gz YBEZHZBVJLJLAM-UHFFFAOYSA-N 0 0 303.261 3.225 20 10 DGCDRN Cc1nn(C)c2cc(NC(=O)N(C)Cc3ccccc3O)ccc12 ZINC000812988911 627440131 /nfs/dbraw/zinc/44/01/31/627440131.db2.gz PUHNQCWKJZHGJT-UHFFFAOYSA-N 0 0 324.384 3.251 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@](C)(O)C2CCC2)cc1 ZINC000813389059 627485591 /nfs/dbraw/zinc/48/55/91/627485591.db2.gz RPZRGGPYLWYJRP-LJQANCHMSA-N 0 0 318.461 3.042 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@](C)(O)C2CCC2)cc1 ZINC000813389057 627485696 /nfs/dbraw/zinc/48/56/96/627485696.db2.gz RPZRGGPYLWYJRP-IBGZPJMESA-N 0 0 318.461 3.042 20 10 DGCDRN CCc1cc(C(=O)NCCCSc2nccs2)ccc1O ZINC000813451390 627490636 /nfs/dbraw/zinc/49/06/36/627490636.db2.gz LGMZPYBEIIPVDR-UHFFFAOYSA-N 0 0 322.455 3.323 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCCCC(=O)C2)c1 ZINC000813489250 627493690 /nfs/dbraw/zinc/49/36/90/627493690.db2.gz UCNVTBKZULUWMO-OLZOCXBDSA-N 0 0 319.401 3.118 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCCCC(=O)C2)c1 ZINC000813489251 627493778 /nfs/dbraw/zinc/49/37/78/627493778.db2.gz UCNVTBKZULUWMO-QWHCGFSZSA-N 0 0 319.401 3.118 20 10 DGCDRN C[C@H](NC(=O)C[C@H]1CCC2(CCC2)O1)c1ccc(N(C)C)cc1 ZINC000890030507 627495677 /nfs/dbraw/zinc/49/56/77/627495677.db2.gz FPVREPFJURGDAH-WMLDXEAASA-N 0 0 316.445 3.422 20 10 DGCDRN CC[C@H](O)C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000813883298 627518677 /nfs/dbraw/zinc/51/86/77/627518677.db2.gz CCIPYUOIGDMHHN-APPZFPTMSA-N 0 0 322.630 3.230 20 10 DGCDRN CSCCCNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840306532 627523729 /nfs/dbraw/zinc/52/37/29/627523729.db2.gz VXSOCDXZGLRUQR-AWEZNQCLSA-N 0 0 323.506 3.044 20 10 DGCDRN CC(C)[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)C1(CO)CCC1 ZINC000814171654 627546071 /nfs/dbraw/zinc/54/60/71/627546071.db2.gz SQERPBFWOKQZNL-OAHLLOKOSA-N 0 0 315.816 3.462 20 10 DGCDRN CC(C)[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)C1(CO)CCC1 ZINC000814171653 627546086 /nfs/dbraw/zinc/54/60/86/627546086.db2.gz SQERPBFWOKQZNL-HNNXBMFYSA-N 0 0 315.816 3.462 20 10 DGCDRN CN(C)c1ccc(CN2C[C@H](CO)Cc3ccccc32)cc1F ZINC000814169679 627546128 /nfs/dbraw/zinc/54/61/28/627546128.db2.gz LGZNWVWLOBVSEJ-OAHLLOKOSA-N 0 0 314.404 3.063 20 10 DGCDRN COc1cccc(O)c1CNc1cc(OC)c(C)c(OC)c1 ZINC000814300532 627558003 /nfs/dbraw/zinc/55/80/03/627558003.db2.gz NOWLTCJMSKDTHE-UHFFFAOYSA-N 0 0 303.358 3.339 20 10 DGCDRN CC(C)[C@H]1N(C(=O)NCc2ccc(N(C)C)cc2)CC1(C)C ZINC000814309147 627558413 /nfs/dbraw/zinc/55/84/13/627558413.db2.gz YPTBPHUSRCGDSJ-MRXNPFEDSA-N 0 0 303.450 3.329 20 10 DGCDRN C[C@@H](Nc1nnc(C(F)F)o1)c1ccc(N2CCOCC2)cc1 ZINC000814360597 627561129 /nfs/dbraw/zinc/56/11/29/627561129.db2.gz FDXLEMOPCOZFLN-SNVBAGLBSA-N 0 0 324.331 3.017 20 10 DGCDRN Cc1ccc(NC(=S)NNc2cccc([N+](=O)[O-])c2)cc1F ZINC000007351590 627569984 /nfs/dbraw/zinc/56/99/84/627569984.db2.gz IJJCGCOUFGLBBX-UHFFFAOYSA-N 0 0 320.349 3.356 20 10 DGCDRN Cc1cc(CN2C[C@H](C)O[C@H](C(F)(F)F)C2)ccc1N(C)C ZINC000815055756 627619817 /nfs/dbraw/zinc/61/98/17/627619817.db2.gz MIEVLLJEYZSRRZ-WFASDCNBSA-N 0 0 316.367 3.213 20 10 DGCDRN CN(Cc1ccnc(Br)c1)c1ccc2c(c1)OCO2 ZINC000815075693 627623147 /nfs/dbraw/zinc/62/31/47/627623147.db2.gz JRVFXWOOIFQVTR-UHFFFAOYSA-N 0 0 321.174 3.209 20 10 DGCDRN O=C(NCc1c(O)cccc1F)NCC1C[C@H]2CC[C@@H](C1)S2 ZINC000924331663 627629551 /nfs/dbraw/zinc/62/95/51/627629551.db2.gz HGNRPCLGXBFPKE-YOGCLGLASA-N 0 0 324.421 3.005 20 10 DGCDRN COCC1(CC[NH2+]Cc2c([O-])ccc(Cl)c2F)CCC1 ZINC000815147701 627637271 /nfs/dbraw/zinc/63/72/71/627637271.db2.gz CVSWUXUHSSVJIS-UHFFFAOYSA-N 0 0 301.789 3.481 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000815150750 627638094 /nfs/dbraw/zinc/63/80/94/627638094.db2.gz NCIABQYDYLJPNE-LBPRGKRZSA-N 0 0 315.816 3.463 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]Cc2c(F)cc(F)cc2F)c1 ZINC000815152681 627638554 /nfs/dbraw/zinc/63/85/54/627638554.db2.gz YGAHORJXZCTOKI-UHFFFAOYSA-N 0 0 312.247 3.008 20 10 DGCDRN C[C@H]([NH2+]CC[C@H]1CCOC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815615703 627691240 /nfs/dbraw/zinc/69/12/40/627691240.db2.gz VLLAQYQHTGLUNV-QWRGUYRKSA-N 0 0 303.324 3.488 20 10 DGCDRN COCC1(CC[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])CCC1 ZINC000815642091 627694266 /nfs/dbraw/zinc/69/42/66/627694266.db2.gz RJUDMKQRZMPFLU-ZDUSSCGKSA-N 0 0 321.417 3.036 20 10 DGCDRN CO[C@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])C1CC1 ZINC000815651679 627694538 /nfs/dbraw/zinc/69/45/38/627694538.db2.gz ZUHLJBFQFUPDGC-TVQRCGJNSA-N 0 0 303.324 3.487 20 10 DGCDRN COc1ccc2ccc(C(=O)NCc3ccc(O)c(O)c3)cc2c1 ZINC000815835878 627707021 /nfs/dbraw/zinc/70/70/21/627707021.db2.gz IOHFSSCRHUKAKM-UHFFFAOYSA-N 0 0 323.348 3.190 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(F)ccc1Cl ZINC000816028923 627727990 /nfs/dbraw/zinc/72/79/90/627727990.db2.gz QZHOXPNFXUQILS-VIFPVBQESA-N 0 0 323.751 3.251 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000816497899 627796972 /nfs/dbraw/zinc/79/69/72/627796972.db2.gz YJOPLQQNURNTIY-ZDUSSCGKSA-N 0 0 312.816 3.245 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[N@H+](CCO)CCc1ccccc1 ZINC000816510622 627799006 /nfs/dbraw/zinc/79/90/06/627799006.db2.gz AXQPUDRLCZQFRB-UHFFFAOYSA-N 0 0 323.795 3.222 20 10 DGCDRN Oc1c(CN2CCO[C@H](C(F)(F)F)C2)ccc2ccccc21 ZINC000816513779 627799180 /nfs/dbraw/zinc/79/91/80/627799180.db2.gz BKOUKNGAHJGBDK-AWEZNQCLSA-N 0 0 311.303 3.309 20 10 DGCDRN C[C@H](NCc1ccc2ccccc2c1O)C(=O)OC(C)(C)C ZINC000816528888 627802993 /nfs/dbraw/zinc/80/29/93/627802993.db2.gz WBNRABHWAZHJAM-LBPRGKRZSA-N 0 0 301.386 3.365 20 10 DGCDRN CC1CCN(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816535246 627803431 /nfs/dbraw/zinc/80/34/31/627803431.db2.gz JWBWUASYGHKNFQ-UHFFFAOYSA-N 0 0 300.805 3.006 20 10 DGCDRN Cc1ccsc1[C@@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816555099 627806497 /nfs/dbraw/zinc/80/64/97/627806497.db2.gz UFGNNMNTRZAIBL-GFCCVEGCSA-N 0 0 315.797 3.378 20 10 DGCDRN C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816559226 627807794 /nfs/dbraw/zinc/80/77/94/627807794.db2.gz BVZBXCNOHOXTTC-YMTOWFKASA-N 0 0 313.756 3.380 20 10 DGCDRN COc1ccc(NCc2cc(Cl)c(F)cc2O)c(OC)n1 ZINC000816557925 627807820 /nfs/dbraw/zinc/80/78/20/627807820.db2.gz GVUBQOHFVRKCOK-UHFFFAOYSA-N 0 0 312.728 3.209 20 10 DGCDRN O=C1NCc2ccc(NCc3ccc4ccccc4c3O)cc21 ZINC000816563740 627808049 /nfs/dbraw/zinc/80/80/49/627808049.db2.gz IRKZZSCVOBPBGT-UHFFFAOYSA-N 0 0 304.349 3.401 20 10 DGCDRN Oc1cc(F)c(Cl)cc1CNc1cnc2c(c1)COCC2 ZINC000816560825 627808206 /nfs/dbraw/zinc/80/82/06/627808206.db2.gz BIVUKSLPHMPVFS-UHFFFAOYSA-N 0 0 308.740 3.265 20 10 DGCDRN O=C1NCc2ccc(NCc3cc(Cl)c(F)cc3O)cc21 ZINC000816564141 627808500 /nfs/dbraw/zinc/80/85/00/627808500.db2.gz VVQRVMACJPZRFH-UHFFFAOYSA-N 0 0 306.724 3.040 20 10 DGCDRN COc1ccc(N(C)Cc2cnn(CC(F)F)c2)cc1Cl ZINC000816565978 627809494 /nfs/dbraw/zinc/80/94/94/627809494.db2.gz HXYNRAZZFNVLBL-UHFFFAOYSA-N 0 0 315.751 3.447 20 10 DGCDRN CC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816568637 627809505 /nfs/dbraw/zinc/80/95/05/627809505.db2.gz MEEUGIJRLVQDPI-AWEZNQCLSA-N 0 0 303.761 3.006 20 10 DGCDRN COc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])c(O)c1 ZINC000816597128 627812835 /nfs/dbraw/zinc/81/28/35/627812835.db2.gz FSMCBSKBPWHRNB-UHFFFAOYSA-N 0 0 311.740 3.189 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H](CCO)Cc1ccccc1 ZINC000816599772 627813671 /nfs/dbraw/zinc/81/36/71/627813671.db2.gz XYGWVIYBBCSUKK-CQSZACIVSA-N 0 0 323.795 3.268 20 10 DGCDRN Oc1c(CN2CC(O)(c3ccc(F)cc3)C2)ccc2ccccc21 ZINC000816600808 627813715 /nfs/dbraw/zinc/81/37/15/627813715.db2.gz IFITVVYQQXLFAA-UHFFFAOYSA-N 0 0 323.367 3.388 20 10 DGCDRN COC(=O)c1cccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])c1 ZINC000816610441 627814981 /nfs/dbraw/zinc/81/49/81/627814981.db2.gz KLQWXCXKXIYWML-UHFFFAOYSA-N 0 0 323.751 3.261 20 10 DGCDRN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@H](O)Cc1ccccc1 ZINC000816625116 627816719 /nfs/dbraw/zinc/81/67/19/627816719.db2.gz RVMKQJHKIDYCGW-OAHLLOKOSA-N 0 0 323.795 3.220 20 10 DGCDRN Cc1cc(Cl)cc(CN2C[C@H](CO)c3ccccc32)c1O ZINC000816636900 627817001 /nfs/dbraw/zinc/81/70/01/627817001.db2.gz LBVVYGOCCRDFJU-CYBMUJFWSA-N 0 0 303.789 3.450 20 10 DGCDRN C[N@@H+]1CCC[C@@]2(CCN(Cc3c([O-])ccc(Cl)c3F)C2)C1 ZINC000816642123 627818085 /nfs/dbraw/zinc/81/80/85/627818085.db2.gz PXXJBLILHPWFCE-MRXNPFEDSA-N 0 0 312.816 3.102 20 10 DGCDRN COc1c([O-])c(C[NH2+]C[C@H]2CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000816665215 627822197 /nfs/dbraw/zinc/82/21/97/627822197.db2.gz XSDAAVQZICFUFB-GFCCVEGCSA-N 0 0 308.378 3.225 20 10 DGCDRN Oc1ccc(F)cc1CN1Cc2cnn(-c3ccccc3)c2C1 ZINC000816667988 627823808 /nfs/dbraw/zinc/82/38/08/627823808.db2.gz BKXCSMGYCFHGLW-UHFFFAOYSA-N 0 0 309.344 3.233 20 10 DGCDRN Cc1cccc(CN2Cc3cnn(-c4ccccc4)c3C2)c1O ZINC000816669090 627823821 /nfs/dbraw/zinc/82/38/21/627823821.db2.gz GOIOCYLUHTWPHH-UHFFFAOYSA-N 0 0 305.381 3.402 20 10 DGCDRN O=C(Nc1cccc(N2CCCC2)c1)c1cccc2[nH]c(=O)[nH]c21 ZINC000816890648 627837282 /nfs/dbraw/zinc/83/72/82/627837282.db2.gz RLTAEPQBYUQPQA-UHFFFAOYSA-N 0 0 322.368 3.121 20 10 DGCDRN CS[C@@H](C)CNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840334436 627856286 /nfs/dbraw/zinc/85/62/86/627856286.db2.gz NHYVXGIZNXBWEW-KBPBESRZSA-N 0 0 323.506 3.043 20 10 DGCDRN Cc1nn(C)c2nccc(NCc3ccc(N4CCCC4)cc3)c12 ZINC000817120351 627857085 /nfs/dbraw/zinc/85/70/85/627857085.db2.gz LKOORAZCNGDFSN-UHFFFAOYSA-N 0 0 321.428 3.489 20 10 DGCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C)CF)c2C)cc1 ZINC000817126625 627858408 /nfs/dbraw/zinc/85/84/08/627858408.db2.gz BLCMRFMVERZPTE-NSHDSACASA-N 0 0 304.365 3.191 20 10 DGCDRN Cc1ccc(C(=O)N[C@H](c2ccccc2)C(F)F)c(O)c1O ZINC000817226040 627866895 /nfs/dbraw/zinc/86/68/95/627866895.db2.gz ZHGLRQLPGXQTKT-GFCCVEGCSA-N 0 0 307.296 3.142 20 10 DGCDRN CN(C)c1ccc(CN(Cc2nn(C)cc2Cl)C2CC2)cc1 ZINC000817274633 627875744 /nfs/dbraw/zinc/87/57/44/627875744.db2.gz OWFYXIWGQIWMJD-UHFFFAOYSA-N 0 0 318.852 3.304 20 10 DGCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1noc(C)n1 ZINC000817299087 627879530 /nfs/dbraw/zinc/87/95/30/627879530.db2.gz UYLGLSKYSZDBRH-AWEZNQCLSA-N 0 0 301.390 3.222 20 10 DGCDRN Cn1cc(/C=C2/c3cccc4c3N(CCC4)C2=O)c(C(F)F)n1 ZINC000817344945 627886570 /nfs/dbraw/zinc/88/65/70/627886570.db2.gz ADMPMHCOPBKGKU-JYRVWZFOSA-N 0 0 315.323 3.191 20 10 DGCDRN C[C@@H]1C[C@H](CO)C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000817412544 627896259 /nfs/dbraw/zinc/89/62/59/627896259.db2.gz MJWQCBXQVVECKO-ZJUUUORDSA-N 0 0 304.217 3.149 20 10 DGCDRN CC(C)n1cc(C(C)(C)[NH2+]Cc2cccc(Cl)c2[O-])nn1 ZINC000817420288 627898377 /nfs/dbraw/zinc/89/83/77/627898377.db2.gz QEIIJHHUVQUXOI-UHFFFAOYSA-N 0 0 308.813 3.243 20 10 DGCDRN C[C@@]1(C(=O)NCc2ccc(N3CCCCC3)cc2)CC1(F)F ZINC000817525724 627916452 /nfs/dbraw/zinc/91/64/52/627916452.db2.gz UEXKGWPGSYOMPN-INIZCTEOSA-N 0 0 308.372 3.338 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1cccc(Cl)c1[O-] ZINC000817585221 627925950 /nfs/dbraw/zinc/92/59/50/627925950.db2.gz CRCVQWVBPRWMPF-LALPHHSUSA-N 0 0 324.852 3.378 20 10 DGCDRN C[C@@H]([NH2+]CC1(CC(N)=O)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817586193 627926842 /nfs/dbraw/zinc/92/68/42/627926842.db2.gz LUJRZEGSPKTDIX-MRVPVSSYSA-N 0 0 317.216 3.005 20 10 DGCDRN CCCN1C[C@@H](C[NH2+][C@H](CC)c2cccc(Cl)c2[O-])CC1=O ZINC000817588997 627927459 /nfs/dbraw/zinc/92/74/59/627927459.db2.gz KQIBZEQHIDCJEZ-IUODEOHRSA-N 0 0 324.852 3.345 20 10 DGCDRN O=C(NCc1cccc(Br)c1O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000817596685 627928240 /nfs/dbraw/zinc/92/82/40/627928240.db2.gz MZHIJEXYMMNTIC-CKYFFXLPSA-N 0 0 324.218 3.207 20 10 DGCDRN O=C(NCc1cccc(Br)c1O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000817596689 627928729 /nfs/dbraw/zinc/92/87/29/627928729.db2.gz MZHIJEXYMMNTIC-UMNHJUIQSA-N 0 0 324.218 3.207 20 10 DGCDRN CCNC(=O)CCCC(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000817761973 627946745 /nfs/dbraw/zinc/94/67/45/627946745.db2.gz QUVKVSMSEGPNBI-UHFFFAOYSA-N 0 0 316.401 3.007 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@H]3CCOC[C@H]3C)cc12 ZINC000817760475 627946974 /nfs/dbraw/zinc/94/69/74/627946974.db2.gz CEUDKUSVTQSADM-ABAIWWIYSA-N 0 0 301.386 3.373 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@@H]3C[C@H]4CC(=O)[C@@H]3C4)cc12 ZINC000817761997 627947040 /nfs/dbraw/zinc/94/70/40/627947040.db2.gz NVPUKBRHWKPCEJ-APHBMKBZSA-N 0 0 311.381 3.316 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@H]3CCc4n[nH]cc4C3)cc12 ZINC000817762099 627947546 /nfs/dbraw/zinc/94/75/46/627947546.db2.gz SBUXFNRBYMARTK-ZDUSSCGKSA-N 0 0 323.396 3.229 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)Cn3cc(Cl)cn3)cc12 ZINC000817762531 627947712 /nfs/dbraw/zinc/94/77/12/627947712.db2.gz UYQHKIQVBDPNMQ-UHFFFAOYSA-N 0 0 317.776 3.251 20 10 DGCDRN CC[C@H]([NH2+][C@H]1CCCNC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817942030 627968373 /nfs/dbraw/zinc/96/83/73/627968373.db2.gz WBUZWFWTQKGDPI-GWCFXTLKSA-N 0 0 303.233 3.492 20 10 DGCDRN Nc1ccc(Cc2nc(C(=O)NCCC3CCC3)cs2)cc1 ZINC000817945098 627970869 /nfs/dbraw/zinc/97/08/69/627970869.db2.gz UFVBAAYZJDNWEO-UHFFFAOYSA-N 0 0 315.442 3.236 20 10 DGCDRN C[C@H]1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)[C@H]1C ZINC000817959596 627975083 /nfs/dbraw/zinc/97/50/83/627975083.db2.gz HIVTZTMJCXOTLE-RYUDHWBXSA-N 0 0 315.442 3.187 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](CN)C1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817961365 627975823 /nfs/dbraw/zinc/97/58/23/627975823.db2.gz XTUKCSVSHFUNTJ-OLZOCXBDSA-N 0 0 303.233 3.477 20 10 DGCDRN CC[C@H]([NH2+][C@H](CN)C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817961225 627975848 /nfs/dbraw/zinc/97/58/48/627975848.db2.gz VOKZYOFCBJWJSA-NWDGAFQWSA-N 0 0 303.233 3.477 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817976427 627980609 /nfs/dbraw/zinc/98/06/09/627980609.db2.gz LVMYDRWOLIGJHY-CIUDSAMLSA-N 0 0 307.196 3.050 20 10 DGCDRN Cc1cc(N)cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000817979907 627982796 /nfs/dbraw/zinc/98/27/96/627982796.db2.gz FYYGKYXLOFBZJH-NSHDSACASA-N 0 0 301.346 3.042 20 10 DGCDRN CC(C)C[C@H](C)NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817997471 627984913 /nfs/dbraw/zinc/98/49/13/627984913.db2.gz QJDYALIFPMWADY-LBPRGKRZSA-N 0 0 317.458 3.481 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1ccc(F)cc1[O-] ZINC000927015943 627997900 /nfs/dbraw/zinc/99/79/00/627997900.db2.gz RTKVIWWDSMNCFA-HOCLYGCPSA-N 0 0 323.408 3.300 20 10 DGCDRN Cc1ccccc1C(C)(C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000818336493 628014620 /nfs/dbraw/zinc/01/46/20/628014620.db2.gz AKNWJKGAYRNIKR-LUAWRHEFSA-N 0 0 311.381 3.471 20 10 DGCDRN COC(=O)c1cnc([C@@H](C)N[C@@H](C)c2ccccc2O)s1 ZINC000818358308 628018313 /nfs/dbraw/zinc/01/83/13/628018313.db2.gz UDBUAKNICLKOEJ-VHSXEESVSA-N 0 0 306.387 3.047 20 10 DGCDRN C[C@@H](Nc1ccc(COCCO)cc1)c1cc(F)cc(F)c1O ZINC000818362054 628018846 /nfs/dbraw/zinc/01/88/46/628018846.db2.gz OWCZWDNQFMGGDH-LLVKDONJSA-N 0 0 323.339 3.352 20 10 DGCDRN C[C@@H](NC(=O)NC[C@@H]1CCCC2(CCC2)O1)c1ccccc1O ZINC000927174313 628031958 /nfs/dbraw/zinc/03/19/58/628031958.db2.gz LGMITBJIZVZZQF-KGLIPLIRSA-N 0 0 318.417 3.244 20 10 DGCDRN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCCc1ccc(N)cc1 ZINC000818545256 628033549 /nfs/dbraw/zinc/03/35/49/628033549.db2.gz SFSONTXWRPIQMI-CABCVRRESA-N 0 0 300.427 3.101 20 10 DGCDRN O=C(N[C@@H]1CCSC2(CCC2)C1)N1Cc2cccc(O)c2C1 ZINC000927284064 628043432 /nfs/dbraw/zinc/04/34/32/628043432.db2.gz SPBLNZBCHHJMOY-CYBMUJFWSA-N 0 0 318.442 3.236 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])cc1F ZINC000818631096 628045629 /nfs/dbraw/zinc/04/56/29/628045629.db2.gz CDUFEHMWMZILSC-SUMWQHHRSA-N 0 0 322.424 3.357 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1CCCc2cccnc21)c1ccccc1O ZINC000927382405 628056344 /nfs/dbraw/zinc/05/63/44/628056344.db2.gz RORCHXWGMXAIDT-SWLSCSKDSA-N 0 0 311.385 3.225 20 10 DGCDRN COc1ncc(/C=C\C(=O)N(C)c2cc(Cl)ccc2C)cn1 ZINC000818809777 628056355 /nfs/dbraw/zinc/05/63/55/628056355.db2.gz XBQJKWYCNDWOKV-ALCCZGGFSA-N 0 0 317.776 3.123 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NCC[C@@H]2CC[C@H]3C[C@H]32)cc1 ZINC000927475562 628071565 /nfs/dbraw/zinc/07/15/65/628071565.db2.gz BZHJSQPBEMVNEA-JKOKRWQUSA-N 0 0 300.362 3.015 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)/C=C/[C@@H]2CCCO2)cc1 ZINC000819040302 628081938 /nfs/dbraw/zinc/08/19/38/628081938.db2.gz ZJCWDOOCYJIUEI-HHNLSAEISA-N 0 0 316.445 3.226 20 10 DGCDRN O=C(N[C@H]1C[C@H](c2ccccc2Cl)C1)c1cccc(O)c1O ZINC000819255279 628121686 /nfs/dbraw/zinc/12/16/86/628121686.db2.gz XAIGKNPYJSMDIJ-XYPYZODXSA-N 0 0 317.772 3.427 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)/C=C\[C@H]2CCCO2)cc1F ZINC000819261138 628122881 /nfs/dbraw/zinc/12/28/81/628122881.db2.gz ZWWLMWRQKRDKLB-WKTRQSJXSA-N 0 0 320.408 3.023 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC[C@@H](C)F ZINC000840378220 628122966 /nfs/dbraw/zinc/12/29/66/628122966.db2.gz DAYRZNUUVGZJQM-KGLIPLIRSA-N 0 0 309.429 3.039 20 10 DGCDRN Cc1cc(C(=O)N2CC3(C2)CCOC3)c(C)n1-c1ccccc1C ZINC000819378407 628143915 /nfs/dbraw/zinc/14/39/15/628143915.db2.gz CRHAIUIFEDOMEW-UHFFFAOYSA-N 0 0 324.424 3.265 20 10 DGCDRN O[C@H](CCc1ccccc1)CNc1ccccc1OCCF ZINC000819488607 628162743 /nfs/dbraw/zinc/16/27/43/628162743.db2.gz ORXSOLVORYAYRL-MRXNPFEDSA-N 0 0 303.377 3.441 20 10 DGCDRN COCCC1CN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000819570180 628170173 /nfs/dbraw/zinc/17/01/73/628170173.db2.gz TZAJHLVBZXNOBW-UHFFFAOYSA-N 0 0 318.442 3.264 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)/C=C\C(C)(C)C)C2)cc1 ZINC000819582125 628171531 /nfs/dbraw/zinc/17/15/31/628171531.db2.gz IFMOYTJBDADOQS-ZHUYAKLQSA-N 0 0 316.445 3.240 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)CC(C)C)C2)cc1 ZINC000819589004 628172034 /nfs/dbraw/zinc/17/20/34/628172034.db2.gz PTHQSSBJDWHDAS-HZPDHXFCSA-N 0 0 318.461 3.320 20 10 DGCDRN CC(C)(Cc1ccccc1)C(=O)NCc1c(O)cccc1F ZINC000928706270 628179498 /nfs/dbraw/zinc/17/94/98/628179498.db2.gz UEUYQDOSFOLBMM-UHFFFAOYSA-N 0 0 301.361 3.416 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000928706750 628179710 /nfs/dbraw/zinc/17/97/10/628179710.db2.gz ZBZVPHFTSVSHQF-HNAYVOBHSA-N 0 0 311.356 3.052 20 10 DGCDRN C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCc2c(O)cccc2F)o1 ZINC000928710227 628180035 /nfs/dbraw/zinc/18/00/35/628180035.db2.gz QOMWMRHXBQWRNL-AAEUAGOBSA-N 0 0 317.360 3.497 20 10 DGCDRN COc1ccc(C(=O)NCc2c(O)cccc2F)cc1C1CC1 ZINC000928708245 628180043 /nfs/dbraw/zinc/18/00/43/628180043.db2.gz JHZWIQIIUBYUJL-UHFFFAOYSA-N 0 0 315.344 3.347 20 10 DGCDRN C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCc2c(O)cccc2F)o1 ZINC000928710228 628180338 /nfs/dbraw/zinc/18/03/38/628180338.db2.gz QOMWMRHXBQWRNL-DGCLKSJQSA-N 0 0 317.360 3.497 20 10 DGCDRN COc1ccc(N2CC[C@H](CNc3ncc(Cl)cn3)C2)cc1 ZINC000819933944 628201393 /nfs/dbraw/zinc/20/13/93/628201393.db2.gz AUARDPMHGVMDJP-GFCCVEGCSA-N 0 0 318.808 3.077 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CC[C@@H](OC)C2)cc1 ZINC000819974532 628207765 /nfs/dbraw/zinc/20/77/65/628207765.db2.gz NTEKFEFXEPWFKB-SJLPKXTDSA-N 0 0 318.461 3.306 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C1(Nc2ccccc2)CC1 ZINC000820035916 628215802 /nfs/dbraw/zinc/21/58/02/628215802.db2.gz TZAHCWPXKJKZTF-UHFFFAOYSA-N 0 0 323.440 3.322 20 10 DGCDRN Cc1ncc(C(F)(F)F)cc1C(=O)N(C)Cc1ccccc1O ZINC000820879360 628308232 /nfs/dbraw/zinc/30/82/32/628308232.db2.gz RJOLDUWRMIJAIJ-UHFFFAOYSA-N 0 0 324.302 3.387 20 10 DGCDRN CS[C@H]1CCCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000821114689 628337701 /nfs/dbraw/zinc/33/77/01/628337701.db2.gz BQGCJZBQSSYYKG-ZDUSSCGKSA-N 0 0 320.418 3.207 20 10 DGCDRN CS[C@@H]1CCCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000821114688 628337797 /nfs/dbraw/zinc/33/77/97/628337797.db2.gz BQGCJZBQSSYYKG-CYBMUJFWSA-N 0 0 320.418 3.207 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCCC[C@H]2F)c1 ZINC000840442362 628350770 /nfs/dbraw/zinc/35/07/70/628350770.db2.gz XOBJHBCLQLDTTH-ZLKJLUDKSA-N 0 0 310.369 3.042 20 10 DGCDRN C[C@H]1c2ccccc2C[C@H]1NC(=O)N(C)Cc1ccccc1O ZINC000821353402 628359716 /nfs/dbraw/zinc/35/97/16/628359716.db2.gz UNZAMBSXIIYJDF-SUMWQHHRSA-N 0 0 310.397 3.262 20 10 DGCDRN C[C@@H](CC(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCO1 ZINC000821844127 628402826 /nfs/dbraw/zinc/40/28/26/628402826.db2.gz YRVFEKRCVWBRNW-YJBOKZPZSA-N 0 0 316.445 3.108 20 10 DGCDRN COc1ccc(N2CCN(C(=O)[C@]3(C)CC=CCC3)CC2)cc1 ZINC000822197233 628429165 /nfs/dbraw/zinc/42/91/65/628429165.db2.gz QXCXTLKFQSPUHF-LJQANCHMSA-N 0 0 314.429 3.090 20 10 DGCDRN CCC[C@H](OC)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000822270212 628434392 /nfs/dbraw/zinc/43/43/92/628434392.db2.gz ZCTBPCJZNARKST-KRWDZBQOSA-N 0 0 306.450 3.306 20 10 DGCDRN CC(C)N(CC1CCC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000822472041 628455431 /nfs/dbraw/zinc/45/54/31/628455431.db2.gz FMUGDQCPJKKISG-UHFFFAOYSA-N 0 0 302.378 3.500 20 10 DGCDRN Cc1ncccc1/C=C/C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000822495521 628457658 /nfs/dbraw/zinc/45/76/58/628457658.db2.gz JAWOJBAYXVWVOQ-DHZHZOJOSA-N 0 0 321.424 3.320 20 10 DGCDRN CCOC(=O)CN(Cc1cc(C)oc1C)Cc1ccccc1O ZINC000822511561 628459249 /nfs/dbraw/zinc/45/92/49/628459249.db2.gz INCUBEMCEPCSKS-UHFFFAOYSA-N 0 0 317.385 3.167 20 10 DGCDRN CC1(C)CC[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000822554530 628463478 /nfs/dbraw/zinc/46/34/78/628463478.db2.gz YMTOTLHCGATJNX-MRXNPFEDSA-N 0 0 318.486 3.292 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C[C@@H](C)[C@@H]2CCCO2)cc1 ZINC000822608834 628470398 /nfs/dbraw/zinc/47/03/98/628470398.db2.gz YNVCLGTVEADRSP-QAPCUYQASA-N 0 0 318.461 3.354 20 10 DGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccsn1 ZINC000822818492 628498565 /nfs/dbraw/zinc/49/85/65/628498565.db2.gz FASUCNXXWRIXLC-UHFFFAOYSA-N 0 0 301.415 3.063 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@]12C[C@H]1CCC2 ZINC000822834219 628500221 /nfs/dbraw/zinc/50/02/21/628500221.db2.gz VPTUWJFJULLLDG-IDHHARJASA-N 0 0 300.446 3.298 20 10 DGCDRN CO[C@H]1CC[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000822897842 628507154 /nfs/dbraw/zinc/50/71/54/628507154.db2.gz CUPRNLLEUWJSPY-AEFFLSMTSA-N 0 0 318.461 3.305 20 10 DGCDRN CCc1nocc1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000822898292 628507186 /nfs/dbraw/zinc/50/71/86/628507186.db2.gz MAKPXJIEIRECDE-UHFFFAOYSA-N 0 0 315.417 3.354 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CSC2CC2)cc1F ZINC000823213371 628537532 /nfs/dbraw/zinc/53/75/32/628537532.db2.gz ICMXHMDAYJRLJK-UHFFFAOYSA-N 0 0 310.438 3.184 20 10 DGCDRN CC(C)(C)NC(=O)c1ccccc1NC(=O)C1=CC(=O)CS1 ZINC000823273276 628544619 /nfs/dbraw/zinc/54/46/19/628544619.db2.gz OZMWPENOOIWOCU-UHFFFAOYSA-N 0 0 318.398 3.234 20 10 DGCDRN CC[C@@H]1CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000823293175 628547340 /nfs/dbraw/zinc/54/73/40/628547340.db2.gz VYPCOKKNCBNOBG-DGCLKSJQSA-N 0 0 302.378 3.405 20 10 DGCDRN O=C(NCCCSc1nccs1)C1(C(F)(F)F)CCC1 ZINC000823297304 628547726 /nfs/dbraw/zinc/54/77/26/628547726.db2.gz BKWMWGQGGABTKS-UHFFFAOYSA-N 0 0 324.393 3.474 20 10 DGCDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C1=CC(=O)CS1 ZINC000823359099 628552140 /nfs/dbraw/zinc/55/21/40/628552140.db2.gz HFQIQVQFYAFMFI-UHFFFAOYSA-N 0 0 320.370 3.413 20 10 DGCDRN Oc1ccccc1CN(Cc1ccncc1F)C[C@@H]1CCCO1 ZINC000823387061 628554860 /nfs/dbraw/zinc/55/48/60/628554860.db2.gz SZOITVAIJJJMCY-INIZCTEOSA-N 0 0 316.376 3.108 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCC[C@@H]2C2CC2)cc1 ZINC000823563661 628575144 /nfs/dbraw/zinc/57/51/44/628575144.db2.gz DYBZJIBMHNGTJB-DZGCQCFKSA-N 0 0 314.389 3.405 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC1(C)CCC1 ZINC000840481518 628584840 /nfs/dbraw/zinc/58/48/40/628584840.db2.gz JWZGXIVENPWMCN-CQSZACIVSA-N 0 0 303.450 3.234 20 10 DGCDRN CO[C@@H](CNC(=O)N(C)Cc1ccccc1O)C1CCCCC1 ZINC000823678377 628586145 /nfs/dbraw/zinc/58/61/45/628586145.db2.gz IKRGBBGRKSHTKF-KRWDZBQOSA-N 0 0 320.433 3.129 20 10 DGCDRN COc1cccc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1C ZINC000824669040 628682482 /nfs/dbraw/zinc/68/24/82/628682482.db2.gz CITJYTGHXMVRKC-UHFFFAOYSA-N 0 0 316.376 3.139 20 10 DGCDRN CS[C@@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000824683864 628683354 /nfs/dbraw/zinc/68/33/54/628683354.db2.gz XUAVEUUHOUGPPQ-SNVBAGLBSA-N 0 0 302.237 3.092 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H](C)CC(C)(C)O)c1 ZINC000824702804 628684841 /nfs/dbraw/zinc/68/48/41/628684841.db2.gz QNNKNABSQWBTFZ-JTQLQIEISA-N 0 0 316.239 3.102 20 10 DGCDRN CC(NC(=O)c1ccc(N=NC(N)=O)cc1)(C1CC1)C1CC1 ZINC000824693771 628684918 /nfs/dbraw/zinc/68/49/18/628684918.db2.gz QTLZHGMQWVAXSR-UHFFFAOYSA-N 0 0 300.362 3.158 20 10 DGCDRN CO[C@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C[C@H]1C ZINC000824814618 628696939 /nfs/dbraw/zinc/69/69/39/628696939.db2.gz BVYWRTIMJRFLGC-MFKMUULPSA-N 0 0 314.223 3.012 20 10 DGCDRN CN(Cc1nccs1)Cc1ccc(Br)cc1O ZINC000824849910 628699946 /nfs/dbraw/zinc/69/99/46/628699946.db2.gz IPCOHPBALSWYAJ-UHFFFAOYSA-N 0 0 313.220 3.243 20 10 DGCDRN COc1ccc(O)c([C@@H](C)N[C@H](C(=O)OC(C)C)C(C)C)c1 ZINC000824846631 628700181 /nfs/dbraw/zinc/70/01/81/628700181.db2.gz UTEZTZWYKSNWFZ-WBMJQRKESA-N 0 0 309.406 3.028 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000824859172 628701357 /nfs/dbraw/zinc/70/13/57/628701357.db2.gz KMKRJCIWJQLXJW-BJWYYQGGSA-N 0 0 315.461 3.471 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000824932184 628708988 /nfs/dbraw/zinc/70/89/88/628708988.db2.gz JZMLMPCWPUWXCW-GDBMZVCRSA-N 0 0 318.804 3.451 20 10 DGCDRN COc1cccc(CN2CCOC[C@H]2c2ccc(F)cc2)c1O ZINC000825046804 628720457 /nfs/dbraw/zinc/72/04/57/628720457.db2.gz YBEANNYNOHPRBK-INIZCTEOSA-N 0 0 317.360 3.113 20 10 DGCDRN CO[C@@H](C)CCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000825395876 628757120 /nfs/dbraw/zinc/75/71/20/628757120.db2.gz MQGMKGRQUCOUPY-HNNXBMFYSA-N 0 0 314.429 3.178 20 10 DGCDRN CC[C@H](CC(C)C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000825394011 628757204 /nfs/dbraw/zinc/75/72/04/628757204.db2.gz OHBDQEAVNXQURA-QGZVFWFLSA-N 0 0 318.461 3.212 20 10 DGCDRN O=C(NCc1cc2c(s1)CCCC2)c1c(F)ccc(O)c1O ZINC000825493110 628768133 /nfs/dbraw/zinc/76/81/33/628768133.db2.gz KHFLEZHKRUOUFR-UHFFFAOYSA-N 0 0 321.373 3.107 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)CCCC(=O)C1CC1 ZINC000825679541 628785132 /nfs/dbraw/zinc/78/51/32/628785132.db2.gz UQACNCPABSOLRB-UHFFFAOYSA-N 0 0 303.402 3.280 20 10 DGCDRN O=C(CC1CC(F)(F)C1)NCCCSc1nccs1 ZINC000825822282 628800629 /nfs/dbraw/zinc/80/06/29/628800629.db2.gz GYWJSMLTOAVYNT-UHFFFAOYSA-N 0 0 306.403 3.177 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CC[C@@H](OC)C2)cc1F ZINC000826941436 628905664 /nfs/dbraw/zinc/90/56/64/628905664.db2.gz JHUDNLPNGBSWMC-HUUCEWRRSA-N 0 0 322.424 3.103 20 10 DGCDRN COCC1(C2CCC2)C[NH+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000827011547 628912763 /nfs/dbraw/zinc/91/27/63/628912763.db2.gz KPJFAYOEVAJECC-UHFFFAOYSA-N 0 0 313.800 3.433 20 10 DGCDRN C[C@@]12COC[C@H]1C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC000827284699 628945697 /nfs/dbraw/zinc/94/56/97/628945697.db2.gz VMMCUPDCULMQCR-QMTHXVAHSA-N 0 0 302.201 3.167 20 10 DGCDRN Cc1ncccc1/C=C/C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000827324094 628949895 /nfs/dbraw/zinc/94/98/95/628949895.db2.gz YUKPOLLFYWRKQX-PKNBQFBNSA-N 0 0 322.408 3.304 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000827605014 628976289 /nfs/dbraw/zinc/97/62/89/628976289.db2.gz DPZHPWWNWKUNJA-HYVNUMGLSA-N 0 0 301.434 3.083 20 10 DGCDRN FC(F)c1cnc(NCCCSc2nccs2)nc1 ZINC000827623576 628977343 /nfs/dbraw/zinc/97/73/43/628977343.db2.gz LOWLSSQRBDQHSY-UHFFFAOYSA-N 0 0 302.375 3.465 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CCC[C@@H](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000827627008 628977968 /nfs/dbraw/zinc/97/79/68/628977968.db2.gz LUFUZIFZHYOPIY-CYBMUJFWSA-N 0 0 320.389 3.321 20 10 DGCDRN Cc1cc(O)c(C[N@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c(Cl)c1 ZINC000827674078 628982024 /nfs/dbraw/zinc/98/20/24/628982024.db2.gz LJFYYXXVBJPECX-CYBMUJFWSA-N 0 0 324.852 3.091 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN[C@@H](CO)c1ccc(F)cc1F ZINC000827715082 628984603 /nfs/dbraw/zinc/98/46/03/628984603.db2.gz HGNSKDYWMGMBFZ-SFHVURJKSA-N 0 0 320.383 3.162 20 10 DGCDRN C[C@H](O)[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccccc1 ZINC000827855693 628997564 /nfs/dbraw/zinc/99/75/64/628997564.db2.gz GRZSBBRLCHGOTH-BONVTDFDSA-N 0 0 309.768 3.396 20 10 DGCDRN C[C@@H](NC(=O)CCSCc1ccccn1)c1ccccc1O ZINC000827930575 629004786 /nfs/dbraw/zinc/00/47/86/629004786.db2.gz LKJHSPSHRHLNQW-CYBMUJFWSA-N 0 0 316.426 3.288 20 10 DGCDRN CCCn1nc(C)c(C(=O)N[C@H](C)c2ccccc2O)c1C ZINC000827937125 629005197 /nfs/dbraw/zinc/00/51/97/629005197.db2.gz LONCAJDQTROGLV-LLVKDONJSA-N 0 0 301.390 3.107 20 10 DGCDRN CC(C)[C@H]1C[C@@H](CC(=O)N[C@H](C)c2ccccc2O)CCO1 ZINC000827941743 629005955 /nfs/dbraw/zinc/00/59/55/629005955.db2.gz XNUSRGLPZITQHY-JKIFEVAISA-N 0 0 305.418 3.411 20 10 DGCDRN C[C@@H](OCc1ccc(F)cc1)C(=O)N[C@H](C)c1ccccc1O ZINC000827952256 629006850 /nfs/dbraw/zinc/00/68/50/629006850.db2.gz LMWTWNAAXRZUNV-CHWSQXEVSA-N 0 0 317.360 3.314 20 10 DGCDRN C[C@@H](NC(=O)CCCCC(=O)OC(C)(C)C)c1ccccc1O ZINC000827952541 629007595 /nfs/dbraw/zinc/00/75/95/629007595.db2.gz WVIZFZSFAWFTOL-CYBMUJFWSA-N 0 0 321.417 3.472 20 10 DGCDRN C[C@H](NC(=O)[C@H](C)OCCc1ccccc1)c1ccccc1O ZINC000827963855 629008758 /nfs/dbraw/zinc/00/87/58/629008758.db2.gz CNEBXEALUKMAPD-GJZGRUSLSA-N 0 0 313.397 3.217 20 10 DGCDRN Cc1nsc(NC2CC2)c1C(=O)N[C@@H](C)c1ccccc1O ZINC000827963794 629008893 /nfs/dbraw/zinc/00/88/93/629008893.db2.gz AOXSKFAFLIWVDW-VIFPVBQESA-N 0 0 317.414 3.222 20 10 DGCDRN C[C@H](NC(=O)c1cc(COC(C)(C)C)on1)c1ccccc1O ZINC000827970136 629009779 /nfs/dbraw/zinc/00/97/79/629009779.db2.gz XMWRRGZRYBVOFA-NSHDSACASA-N 0 0 318.373 3.186 20 10 DGCDRN Cc1nc(CCCC(=O)N[C@@H](C)c2ccccc2O)cs1 ZINC000827973384 629010239 /nfs/dbraw/zinc/01/02/39/629010239.db2.gz NUQXBUYGZFCLOM-NSHDSACASA-N 0 0 304.415 3.357 20 10 DGCDRN CC(C)n1ncc2cc(C(=O)N[C@@H](C)c3ccccc3O)cnc21 ZINC000827982556 629010782 /nfs/dbraw/zinc/01/07/82/629010782.db2.gz YHICQPPPNMCDFF-LBPRGKRZSA-N 0 0 324.384 3.209 20 10 DGCDRN Oc1ccccc1C[N@H+](CCC[C@@H]1CCOC1)C[C@H]1CCCO1 ZINC000828062137 629019776 /nfs/dbraw/zinc/01/97/76/629019776.db2.gz BYIDBXQDPYGAFE-SJLPKXTDSA-N 0 0 319.445 3.190 20 10 DGCDRN COc1ccc(N(C)Cc2nnc(C3CC3)s2)c(OC)c1 ZINC000828474818 629058125 /nfs/dbraw/zinc/05/81/25/629058125.db2.gz SGFWUOVSUWXAJL-UHFFFAOYSA-N 0 0 305.403 3.069 20 10 DGCDRN CCSc1c[nH]c(=O)c(C(=O)N[C@H](C)c2ccccc2O)c1 ZINC000828540154 629064964 /nfs/dbraw/zinc/06/49/64/629064964.db2.gz YXFPIHXBNFPPGE-SNVBAGLBSA-N 0 0 318.398 3.096 20 10 DGCDRN C[C@H](NC(=O)[C@]1(c2ccccc2)CCCO1)c1ccccc1O ZINC000828539914 629065023 /nfs/dbraw/zinc/06/50/23/629065023.db2.gz WGFCYMFSIIEQKG-IFXJQAMLSA-N 0 0 311.381 3.275 20 10 DGCDRN Cc1cc(CC(=O)N[C@H]2CCSC2)c(C)n1-c1ccccc1 ZINC000828974166 629115903 /nfs/dbraw/zinc/11/59/03/629115903.db2.gz NQKVKUMCCQNTAZ-INIZCTEOSA-N 0 0 314.454 3.258 20 10 DGCDRN Cc1cc(CN2C[C@@H](O)CC(F)(F)C2)ccc1N1CCCCC1 ZINC000829151698 629135837 /nfs/dbraw/zinc/13/58/37/629135837.db2.gz MIONYTOAVRWUIA-INIZCTEOSA-N 0 0 324.415 3.187 20 10 DGCDRN COC(=O)c1cnc(SCc2cccc(N(C)C)c2)s1 ZINC000829677668 629181345 /nfs/dbraw/zinc/18/13/45/629181345.db2.gz HHVGOROXXSKGFR-UHFFFAOYSA-N 0 0 308.428 3.288 20 10 DGCDRN COc1ccccc1C1([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000829697496 629183416 /nfs/dbraw/zinc/18/34/16/629183416.db2.gz MBUDCCQFJDKZFL-UHFFFAOYSA-N 0 0 314.341 3.088 20 10 DGCDRN Cc1cnccc1/C=C/C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000829817737 629197604 /nfs/dbraw/zinc/19/76/04/629197604.db2.gz QBJDBVBZELNLMN-VSGCLNPGSA-N 0 0 309.413 3.347 20 10 DGCDRN CN(Cc1ccccc1O)c1nnc(C(C)(C)C)n1CC1CC1 ZINC000830499619 629277929 /nfs/dbraw/zinc/27/79/29/629277929.db2.gz YRXZNFJLBRLEJC-UHFFFAOYSA-N 0 0 314.433 3.328 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H](OC)C2CCCCC2)c1 ZINC000830540826 629281779 /nfs/dbraw/zinc/28/17/79/629281779.db2.gz NXJDMLBCJMDCNS-YVEFUNNKSA-N 0 0 321.417 3.173 20 10 DGCDRN CC1(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)CC1 ZINC000830599778 629287390 /nfs/dbraw/zinc/28/73/90/629287390.db2.gz XZOCNYOMYRPOQQ-UHFFFAOYSA-N 0 0 323.458 3.409 20 10 DGCDRN CC(=O)C[C@H](C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000830872870 629313598 /nfs/dbraw/zinc/31/35/98/629313598.db2.gz FZIMAVCDJUDRLM-ZDUSSCGKSA-N 0 0 312.413 3.120 20 10 DGCDRN COc1ccc(CNC(=O)/C(F)=C\C2CCCCC2)c(O)c1 ZINC000831038745 629333153 /nfs/dbraw/zinc/33/31/53/629333153.db2.gz OSUPCQSXVXVEJB-OQLLNIDSSA-N 0 0 307.365 3.451 20 10 DGCDRN CCCc1nc(CN(CC2CC2)c2ccc(OC)cc2)no1 ZINC000831582641 629393591 /nfs/dbraw/zinc/39/35/91/629393591.db2.gz ASVUGNHVOSBBJK-UHFFFAOYSA-N 0 0 301.390 3.447 20 10 DGCDRN CO[C@@H]1C[C@H]([N@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])C12CCC2 ZINC000832208425 629450966 /nfs/dbraw/zinc/45/09/66/629450966.db2.gz ACAMHAJXFAAOEN-JKSUJKDBSA-N 0 0 321.392 3.123 20 10 DGCDRN CCOc1ccc(O)c(C[N@H+](C)C2(C(=O)[O-])CCCCC2)c1 ZINC000833663258 629637547 /nfs/dbraw/zinc/63/75/47/629637547.db2.gz SWWNNAMTOPRWFA-UHFFFAOYSA-N 0 0 307.390 3.010 20 10 DGCDRN COc1ccc(O)c([C@H](C)[NH2+]Cc2ccsc2C(=O)[O-])c1 ZINC000833733925 629644309 /nfs/dbraw/zinc/64/43/09/629644309.db2.gz VWPREANRKCKFCD-VIFPVBQESA-N 0 0 307.371 3.011 20 10 DGCDRN COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2cc(C)c(C(=O)[O-])o2)c1 ZINC000833733971 629644350 /nfs/dbraw/zinc/64/43/50/629644350.db2.gz XDRUYMJIRQMTRK-QWRGUYRKSA-N 0 0 319.357 3.412 20 10 DGCDRN C[C@H]1C[C@H](CNC(=O)[O-])C[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000833835311 629653611 /nfs/dbraw/zinc/65/36/11/629653611.db2.gz XLCQFLQABGDOGM-QWHCGFSZSA-N 0 0 314.385 3.023 20 10 DGCDRN O[C@@H](COc1ccc(N2CCCC2)cc1)Cc1ccc(F)cc1 ZINC000834369632 629699948 /nfs/dbraw/zinc/69/99/48/629699948.db2.gz XHMLNYBNRDAEDO-GOSISDBHSA-N 0 0 315.388 3.408 20 10 DGCDRN CCN1C(=O)/C(=C/c2c[nH]c(C(F)(F)F)c2)SC1=S ZINC000834398504 629705117 /nfs/dbraw/zinc/70/51/17/629705117.db2.gz LXDUVXKTIYBMRD-CLTKARDFSA-N 0 0 306.334 3.255 20 10 DGCDRN C[C@@H]1C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CCS1 ZINC000834630529 629743089 /nfs/dbraw/zinc/74/30/89/629743089.db2.gz CUCUYGYRBCHRDF-PSASIEDQSA-N 0 0 323.439 3.326 20 10 DGCDRN CCCCOCCC[NH2+]Cc1cccc(Br)c1[O-] ZINC000101588416 629743105 /nfs/dbraw/zinc/74/31/05/629743105.db2.gz RLWBXKNCCNKWDP-UHFFFAOYSA-N 0 0 316.239 3.451 20 10 DGCDRN O=C1OCCN1Cc1cccc(N[C@H]2CCc3cccc(O)c32)c1 ZINC000834709146 629762561 /nfs/dbraw/zinc/76/25/61/629762561.db2.gz CLEUGBSSBSFCQB-INIZCTEOSA-N 0 0 324.380 3.444 20 10 DGCDRN CC[C@@H]([NH2+][C@H](C)CC(=O)NC)c1cc(Cl)cc(Cl)c1[O-] ZINC000834901565 629802913 /nfs/dbraw/zinc/80/29/13/629802913.db2.gz WASNRZSGGUGERC-PRHODGIISA-N 0 0 319.232 3.264 20 10 DGCDRN CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834911270 629806544 /nfs/dbraw/zinc/80/65/44/629806544.db2.gz ISTCQEHNZMQGPP-SGIREYDYSA-N 0 0 308.378 3.299 20 10 DGCDRN CC[C@@H]([NH2+][C@H](CC)c1ccc(Cl)c(Cl)c1[O-])C(=O)NC ZINC000834911182 629806854 /nfs/dbraw/zinc/80/68/54/629806854.db2.gz HQLVOJYTMDXUFR-GHMZBOCLSA-N 0 0 319.232 3.264 20 10 DGCDRN CN(C)c1ccc(/C=C/CN2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000835025878 629828077 /nfs/dbraw/zinc/82/80/77/629828077.db2.gz MICGULCIEYDTHJ-NHZBNJEXSA-N 0 0 314.351 3.029 20 10 DGCDRN C[C@H](C(=O)NC(C)(C)C)N(C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835045886 629834356 /nfs/dbraw/zinc/83/43/56/629834356.db2.gz LGXUNBZVHPIBMB-XVJNWHFHSA-N 0 0 317.477 3.001 20 10 DGCDRN CN(C)c1ccc(/C=C\CN2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1 ZINC000835055875 629839634 /nfs/dbraw/zinc/83/96/34/629839634.db2.gz OQPWUWCUJFEKFV-BGGWRVQESA-N 0 0 312.457 3.409 20 10 DGCDRN C[C@@H](F)CCNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000836289205 630094673 /nfs/dbraw/zinc/09/46/73/630094673.db2.gz FVOGYRHDASLJIF-OAHLLOKOSA-N 0 0 321.440 3.470 20 10 DGCDRN O=C(COCC1CCCC1)NCc1ccc(N2CCCC2)cc1 ZINC000836367949 630105424 /nfs/dbraw/zinc/10/54/24/630105424.db2.gz KCDSYOUQIADWBN-UHFFFAOYSA-N 0 0 316.445 3.110 20 10 DGCDRN C[C@@H](NC(=O)NC[C@@H]1C[C@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000836405409 630110368 /nfs/dbraw/zinc/11/03/68/630110368.db2.gz FYRBRJXFELRJSY-PVUWLOKVSA-N 0 0 301.434 3.159 20 10 DGCDRN CC[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)C(F)F ZINC000836512282 630124745 /nfs/dbraw/zinc/12/47/45/630124745.db2.gz NCBVIYJWOYDSRI-CYBMUJFWSA-N 0 0 312.360 3.114 20 10 DGCDRN CC[C@@H](NC(=O)NCc1ccc(OC)cc1O)C1CCCC1 ZINC000836643639 630145307 /nfs/dbraw/zinc/14/53/07/630145307.db2.gz GTLONSSFTCPWPY-OAHLLOKOSA-N 0 0 306.406 3.169 20 10 DGCDRN CC(C)[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@@H]1C(C)C ZINC000836888008 630180210 /nfs/dbraw/zinc/18/02/10/630180210.db2.gz IGJAKXPARQKEHI-AUDRJFNYSA-N 0 0 303.402 3.250 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@]2(C)CCCCO2)cc1 ZINC000837320035 630239612 /nfs/dbraw/zinc/23/96/12/630239612.db2.gz CIFQUDMZOLWTBY-LJQANCHMSA-N 0 0 318.461 3.450 20 10 DGCDRN C[C@@H](C(=O)NCc1ccc(N2CCSCC2)cc1)C1CCC1 ZINC000837348240 630245292 /nfs/dbraw/zinc/24/52/92/630245292.db2.gz CYCFHJFOYLEYGE-CQSZACIVSA-N 0 0 318.486 3.292 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)COC(C)(C)CC ZINC000837369891 630248661 /nfs/dbraw/zinc/24/86/61/630248661.db2.gz QUFSANSEGMXIIE-UHFFFAOYSA-N 0 0 306.450 3.306 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@]2(C)CCCCO2)cc1F ZINC000837405222 630253273 /nfs/dbraw/zinc/25/32/73/630253273.db2.gz PBPYPSJNAVNZNC-GOSISDBHSA-N 0 0 322.424 3.247 20 10 DGCDRN C[C@@]1(COC(=O)/C=C\c2ccc(O)c(O)c2)CC1(Cl)Cl ZINC000837588638 630280884 /nfs/dbraw/zinc/28/08/84/630280884.db2.gz SQINNUYPKOUOTP-DXTPNHAXSA-N 0 0 317.168 3.238 20 10 DGCDRN C[C@@H](C(=O)NCc1cc(Br)ccc1O)C1CCC1 ZINC000837643762 630291484 /nfs/dbraw/zinc/29/14/84/630291484.db2.gz QYPAJXNAIBANES-SECBINFHSA-N 0 0 312.207 3.207 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@H]2C2CC2)cc1 ZINC000837726396 630303915 /nfs/dbraw/zinc/30/39/15/630303915.db2.gz YKIDDYQQCGZVCG-KRWDZBQOSA-N 0 0 301.434 3.227 20 10 DGCDRN CCCN1CC(=O)N[C@H]1c1cc(Cl)c2ccccc2c1O ZINC000840824434 630362682 /nfs/dbraw/zinc/36/26/82/630362682.db2.gz MDFYACDFLJSJKJ-MRXNPFEDSA-N 0 0 304.777 3.039 20 10 DGCDRN COc1cccc(NC(=S)NCc2ccc(C)c(C)n2)c1 ZINC000840844396 630365935 /nfs/dbraw/zinc/36/59/35/630365935.db2.gz QNRSDJFJGRGYCJ-UHFFFAOYSA-N 0 0 301.415 3.194 20 10 DGCDRN COCCOc1ccc(NCc2ccc(N(C)C)cc2C)cn1 ZINC000840878570 630370545 /nfs/dbraw/zinc/37/05/45/630370545.db2.gz HBTYGPJHIUIURD-UHFFFAOYSA-N 0 0 315.417 3.093 20 10 DGCDRN Cc1cc(O)c(CNCc2nccn2C(F)F)c(Cl)c1 ZINC000840885255 630372335 /nfs/dbraw/zinc/37/23/35/630372335.db2.gz AJXXPMJQPWRWLI-UHFFFAOYSA-N 0 0 301.724 3.235 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ccc(N2CCC2=O)cc1 ZINC000840942602 630381867 /nfs/dbraw/zinc/38/18/67/630381867.db2.gz LCAHCXTYBCNVBR-UHFFFAOYSA-N 0 0 309.413 3.410 20 10 DGCDRN COC(=O)[C@H](C)c1cccc(NCc2cc(OC)ccc2O)c1 ZINC000840958849 630385884 /nfs/dbraw/zinc/38/58/84/630385884.db2.gz VENGVLKKYUMUNU-GFCCVEGCSA-N 0 0 315.369 3.289 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000840964260 630387136 /nfs/dbraw/zinc/38/71/36/630387136.db2.gz VOGOVTHXRGRKBI-ZDUSSCGKSA-N 0 0 309.768 3.050 20 10 DGCDRN CCN(CC)c1ccc(CN[C@H](C)c2csnn2)cc1F ZINC000840969799 630388635 /nfs/dbraw/zinc/38/86/35/630388635.db2.gz KHVQTQZBPMTQBK-LLVKDONJSA-N 0 0 308.426 3.374 20 10 DGCDRN CN1CCCc2cc(C[NH2+]Cc3cccc(C(=O)[O-])c3)ccc21 ZINC000840994520 630391938 /nfs/dbraw/zinc/39/19/38/630391938.db2.gz KUDUSUPIUOMRGL-UHFFFAOYSA-N 0 0 310.397 3.057 20 10 DGCDRN C[C@@H](C(=O)[O-])[N@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000840995711 630392501 /nfs/dbraw/zinc/39/25/01/630392501.db2.gz MPGUEGZWBSAJMW-ZDUSSCGKSA-N 0 0 318.442 3.289 20 10 DGCDRN CC[C@H](C)[N@H+](CC(=O)[O-])Cc1ccc(N(CC)CC)c(F)c1 ZINC000840997110 630392673 /nfs/dbraw/zinc/39/26/73/630392673.db2.gz UFHZEJKEADEOMZ-ZDUSSCGKSA-N 0 0 310.413 3.357 20 10 DGCDRN CC(C)(C)c1csc(NC(=O)NCCc2ccc(N)cc2)n1 ZINC000841012780 630395304 /nfs/dbraw/zinc/39/53/04/630395304.db2.gz DWDZJUFBQIOBAI-UHFFFAOYSA-N 0 0 318.446 3.387 20 10 DGCDRN Nc1ccc(CCNC(=O)Nc2ccccc2N2CCCC2)cc1 ZINC000841015994 630395800 /nfs/dbraw/zinc/39/58/00/630395800.db2.gz QETGEWLKQCYECO-UHFFFAOYSA-N 0 0 324.428 3.233 20 10 DGCDRN CC(C)c1csc(NC(=O)NCCc2ccc(N)cc2)n1 ZINC000841017859 630396709 /nfs/dbraw/zinc/39/67/09/630396709.db2.gz JAPBKOQXPXNXCH-UHFFFAOYSA-N 0 0 304.419 3.213 20 10 DGCDRN C[C@H](CCC1CCCCC1)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841038907 630400290 /nfs/dbraw/zinc/40/02/90/630400290.db2.gz UIDBXVJCBCUJSO-CYBMUJFWSA-N 0 0 317.433 3.073 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000841068858 630404482 /nfs/dbraw/zinc/40/44/82/630404482.db2.gz JCINWPPMTZDZGK-INIZCTEOSA-N 0 0 302.805 3.022 20 10 DGCDRN CC[C@H](C)Oc1cc(CNC(=O)Nc2ccc(N)cc2)ccn1 ZINC000841296599 630424230 /nfs/dbraw/zinc/42/42/30/630424230.db2.gz VYUSUTSOKZVVTJ-LBPRGKRZSA-N 0 0 314.389 3.163 20 10 DGCDRN CC(C)[C@@H](NC(=O)Nc1ccc(N)cc1)[C@H](O)c1ccccc1 ZINC000841297553 630424534 /nfs/dbraw/zinc/42/45/34/630424534.db2.gz SWHUWXCHXDGACP-IAGOWNOFSA-N 0 0 313.401 3.149 20 10 DGCDRN COc1ccc2c(c1)CCCN(C(=O)Nc1ccc(N)cc1)C2 ZINC000841299893 630425008 /nfs/dbraw/zinc/42/50/08/630425008.db2.gz JNXZNTAYYYDRRP-UHFFFAOYSA-N 0 0 311.385 3.258 20 10 DGCDRN Cc1csc([C@H](NC(=O)Nc2ccc(N)cc2)C2CC2)n1 ZINC000841299861 630425074 /nfs/dbraw/zinc/42/50/74/630425074.db2.gz KZSFXVVWGSHYOU-CYBMUJFWSA-N 0 0 302.403 3.307 20 10 DGCDRN Cc1csc([C@@H](NC(=O)Nc2ccc(N)cc2)C2CC2)n1 ZINC000841299863 630425102 /nfs/dbraw/zinc/42/51/02/630425102.db2.gz KZSFXVVWGSHYOU-ZDUSSCGKSA-N 0 0 302.403 3.307 20 10 DGCDRN COc1cccc2c1N(C(=O)/C=C/c1cncc(F)c1)CCC2 ZINC000104370634 630444244 /nfs/dbraw/zinc/44/42/44/630444244.db2.gz DQCSKGFXANOKSQ-BQYQJAHWSA-N 0 0 312.344 3.222 20 10 DGCDRN C[C@@H]1[C@H](C)CN(C(=O)NCc2ccc(N3CCCC3)cc2)[C@H]1C ZINC000841580984 630446197 /nfs/dbraw/zinc/44/61/97/630446197.db2.gz KAWSEXQXBLYZPB-OAGGEKHMSA-N 0 0 315.461 3.473 20 10 DGCDRN CC[C@@H](NC(=O)NCc1ccc(OC)cc1O)[C@@H]1CC1(C)C ZINC000841594099 630446974 /nfs/dbraw/zinc/44/69/74/630446974.db2.gz PSVFOACLQULIRF-UONOGXRCSA-N 0 0 306.406 3.025 20 10 DGCDRN C[C@H]1C[C@@H]1c1ccc(CNC(=O)NCCc2ccc(N)cc2)o1 ZINC000841718997 630459342 /nfs/dbraw/zinc/45/93/42/630459342.db2.gz YEEYSFMLSPMLRS-LRDDRELGSA-N 0 0 313.401 3.027 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCO[C@]2(CCOC2)C1)c1ccc(Cl)cc1[O-] ZINC000841748234 630461738 /nfs/dbraw/zinc/46/17/38/630461738.db2.gz IKTZZAMBOPRSOD-DETPVDSQSA-N 0 0 311.809 3.034 20 10 DGCDRN COCCOCCCC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841748076 630462031 /nfs/dbraw/zinc/46/20/31/630462031.db2.gz VXPPBMKXVSXRSA-LBPRGKRZSA-N 0 0 301.814 3.139 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1ccc(Cl)cc1[O-] ZINC000841756865 630462867 /nfs/dbraw/zinc/46/28/67/630462867.db2.gz CTOBWSCSYYYTDE-RYUDHWBXSA-N 0 0 309.793 3.140 20 10 DGCDRN CN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000841813040 630467708 /nfs/dbraw/zinc/46/77/08/630467708.db2.gz SLVUYVPNWNZEIH-DOTOQJQBSA-N 0 0 304.434 3.266 20 10 DGCDRN Cc1ccc([C@@H](C)NC(=O)NCCc2ccc(N)cc2)cc1F ZINC000841857919 630472026 /nfs/dbraw/zinc/47/20/26/630472026.db2.gz LCZHFOZIYUBWAW-CYBMUJFWSA-N 0 0 315.392 3.319 20 10 DGCDRN CC(C)[C@H](CC(F)(F)F)NC(=O)NCCc1ccc(N)cc1 ZINC000841886132 630473108 /nfs/dbraw/zinc/47/31/08/630473108.db2.gz YKWLRKIVPVYPQN-ZDUSSCGKSA-N 0 0 317.355 3.088 20 10 DGCDRN Cc1cc(C(=O)NCc2ncccc2C)c(C)n1-c1ccccn1 ZINC000104564906 630476803 /nfs/dbraw/zinc/47/68/03/630476803.db2.gz FVFQCIMSRXHBMB-UHFFFAOYSA-N 0 0 320.396 3.123 20 10 DGCDRN Cc1cccc(C(C)(C)NC(=O)NCCc2ccc(N)cc2)c1 ZINC000841955291 630476895 /nfs/dbraw/zinc/47/68/95/630476895.db2.gz YNWNFNDKVJNFKZ-UHFFFAOYSA-N 0 0 311.429 3.354 20 10 DGCDRN CCOC(=O)c1coc(NCc2ccc(N3CCCC3)cc2)n1 ZINC000842023812 630479779 /nfs/dbraw/zinc/47/97/79/630479779.db2.gz IFMKBLGDEVKYSC-UHFFFAOYSA-N 0 0 315.373 3.064 20 10 DGCDRN CC[C@@H](NC(=O)NCc1cc(OC)ccc1O)[C@@H]1CC1(C)C ZINC000842180488 630503679 /nfs/dbraw/zinc/50/36/79/630503679.db2.gz OZWDDMXACJLVGU-UONOGXRCSA-N 0 0 306.406 3.025 20 10 DGCDRN COCC1(CC[NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000842728913 630568796 /nfs/dbraw/zinc/56/87/96/630568796.db2.gz LNLNAHTUKSMKHV-UHFFFAOYSA-N 0 0 314.223 3.061 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)/C=C/C3CC3)C2)cc1 ZINC000842880021 630588464 /nfs/dbraw/zinc/58/84/64/630588464.db2.gz VPZSMLOHALLMGB-BCFOUKGLSA-N 0 0 301.386 3.031 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)[C@@H]3CC3(C)C)C2)cc1 ZINC000842877836 630588534 /nfs/dbraw/zinc/58/85/34/630588534.db2.gz DJPMOGZOQLSXPK-CJNGLKHVSA-N 0 0 303.402 3.111 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)c3c[nH]cc3C)C2)cc1 ZINC000842879323 630588605 /nfs/dbraw/zinc/58/86/05/630588605.db2.gz RIENVZIJAKHHST-AWEZNQCLSA-N 0 0 314.385 3.015 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)c3ccc(C)o3)C2)cc1 ZINC000842882289 630589131 /nfs/dbraw/zinc/58/91/31/630589131.db2.gz UIHJSQMQTMLGHG-AWEZNQCLSA-N 0 0 315.369 3.280 20 10 DGCDRN CC[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1cccc(Cl)c1[O-] ZINC000842886596 630589644 /nfs/dbraw/zinc/58/96/44/630589644.db2.gz SQBMXTRIQKZHOL-ZIAGYGMSSA-N 0 0 324.852 3.486 20 10 DGCDRN COc1cccc(CNC(=O)Nc2cc(F)ccc2F)c1O ZINC000104973084 630600457 /nfs/dbraw/zinc/60/04/57/630600457.db2.gz HGDYJJATHZOGFA-UHFFFAOYSA-N 0 0 308.284 3.001 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1F ZINC000843039098 630606377 /nfs/dbraw/zinc/60/63/77/630606377.db2.gz ATXYSPZSEVJODN-UKRRQHHQSA-N 0 0 322.424 3.215 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1 ZINC000843041558 630607281 /nfs/dbraw/zinc/60/72/81/630607281.db2.gz SFJGTWOMZFIAEZ-PBHICJAKSA-N 0 0 304.434 3.075 20 10 DGCDRN NCC[N@H+](CCc1ccccc1)Cc1cccc(Cl)c1[O-] ZINC000843121941 630615554 /nfs/dbraw/zinc/61/55/54/630615554.db2.gz MBMYCDQTACWEFO-UHFFFAOYSA-N 0 0 304.821 3.049 20 10 DGCDRN [NH3+]C[C@H]1c2ccccc2CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000843129618 630617674 /nfs/dbraw/zinc/61/76/74/630617674.db2.gz QMDLBTOFOTZJIO-INIZCTEOSA-N 0 0 320.795 3.243 20 10 DGCDRN CCN(C)[C@@H](c1nc(Cc2ccc(N)cc2)no1)c1ccccc1 ZINC000843161469 630623573 /nfs/dbraw/zinc/62/35/73/630623573.db2.gz VEDPSLCTQSJDTQ-GOSISDBHSA-N 0 0 322.412 3.284 20 10 DGCDRN CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])[C@@H]1SC ZINC000843429550 630657547 /nfs/dbraw/zinc/65/75/47/630657547.db2.gz FRVGGUCVOCTVMH-BZPMIXESSA-N 0 0 301.839 3.044 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H]3OCC[C@@H]3C2)cc1 ZINC000843979931 630705383 /nfs/dbraw/zinc/70/53/83/630705383.db2.gz CDZFRYICMYCFLO-MJGOQNOKSA-N 0 0 324.424 3.345 20 10 DGCDRN CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1 ZINC000844033598 630707282 /nfs/dbraw/zinc/70/72/82/630707282.db2.gz PTWGKVAKJZDJHL-TZMCWYRMSA-N 0 0 303.402 3.386 20 10 DGCDRN Cc1cc(C(=O)N[C@H]2CO[C@@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000844105228 630709480 /nfs/dbraw/zinc/70/94/80/630709480.db2.gz IKNNUJSFSRWXNW-SWLSCSKDSA-N 0 0 316.376 3.140 20 10 DGCDRN COc1ccc(N(C)CCN(C)[C@H](C)c2ncc(C)o2)cc1 ZINC000844402429 630724928 /nfs/dbraw/zinc/72/49/28/630724928.db2.gz XFTFOTZRBAXKGU-CQSZACIVSA-N 0 0 303.406 3.121 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1CCCCS1 ZINC000845103900 631076265 /nfs/dbraw/zinc/07/62/65/631076265.db2.gz AKWAPBHZFBFIQZ-LBPRGKRZSA-N 0 0 314.838 3.131 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCC[C@@]1(C)C[C@]1(F)Cl ZINC000845411373 631172597 /nfs/dbraw/zinc/17/25/97/631172597.db2.gz ANVCQHSOPYGSKQ-LSDHHAIUSA-N 0 0 314.788 3.238 20 10 DGCDRN COC/C(C)=C/C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000845792809 631196657 /nfs/dbraw/zinc/19/66/57/631196657.db2.gz KCYRUAJDBSXQSZ-GXDHUFHOSA-N 0 0 315.369 3.107 20 10 DGCDRN O=S(=O)(CCC1CCCC1)NCc1cc(Cl)ccc1O ZINC000845996393 631204958 /nfs/dbraw/zinc/20/49/58/631204958.db2.gz PGRPLDSKYSYAIL-UHFFFAOYSA-N 0 0 317.838 3.045 20 10 DGCDRN COc1cc(Cl)cc(CN2C[C@@H](C)OCC23CCC3)c1O ZINC000846067662 631209020 /nfs/dbraw/zinc/20/90/20/631209020.db2.gz VWYFLEMEYYINRT-LLVKDONJSA-N 0 0 311.809 3.198 20 10 DGCDRN CC[C@H](N[C@@H](C)c1cccc(OC)c1O)C(=O)OC(C)(C)C ZINC000846174860 631213533 /nfs/dbraw/zinc/21/35/33/631213533.db2.gz VATTXWOJJAUFBV-AAEUAGOBSA-N 0 0 309.406 3.172 20 10 DGCDRN COc1cccc([C@H](C)Nc2ccc(COCCO)cc2)c1O ZINC000846170683 631213615 /nfs/dbraw/zinc/21/36/15/631213615.db2.gz CGPMNWDSPGNRCT-ZDUSSCGKSA-N 0 0 317.385 3.083 20 10 DGCDRN C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)CCc2ccccc21 ZINC000846171891 631213629 /nfs/dbraw/zinc/21/36/29/631213629.db2.gz JIJYTRAPPRCIEX-OAHLLOKOSA-N 0 0 323.440 3.183 20 10 DGCDRN C[C@H](O)[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccccc1F ZINC000846182954 631213823 /nfs/dbraw/zinc/21/38/23/631213823.db2.gz MLNQALDGMLFLKU-DINDLPBHSA-N 0 0 307.340 3.443 20 10 DGCDRN C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cccc(C(F)(F)F)c1[O-] ZINC000846190499 631214454 /nfs/dbraw/zinc/21/44/54/631214454.db2.gz QNMJKFAVMQBFBY-ZFWZSOMGSA-N 0 0 301.308 3.382 20 10 DGCDRN Cc1cc(C[N@@H+]2CCC[C@H](C(=O)[O-])C2)ccc1N1CCCCC1 ZINC000846261819 631217329 /nfs/dbraw/zinc/21/73/29/631217329.db2.gz UHNUMCPHQURNOQ-KRWDZBQOSA-N 0 0 316.445 3.282 20 10 DGCDRN CCN(C)c1ccc(C[N@H+](CC(=O)[O-])C2CCCCC2)cc1 ZINC000846272588 631218753 /nfs/dbraw/zinc/21/87/53/631218753.db2.gz JRULAEAZEYHHPP-UHFFFAOYSA-N 0 0 304.434 3.362 20 10 DGCDRN Cc1cc(C[N@@H+]2CC[C@@](C)(C(=O)[O-])C2)ccc1N1CCCCC1 ZINC000846275084 631218934 /nfs/dbraw/zinc/21/89/34/631218934.db2.gz MQBUSXMAKJLJHV-LJQANCHMSA-N 0 0 316.445 3.282 20 10 DGCDRN Cc1cc(C[N@@H+]2CC[C@](C)(C(=O)[O-])C2)ccc1N1CCCCC1 ZINC000846275083 631219255 /nfs/dbraw/zinc/21/92/55/631219255.db2.gz MQBUSXMAKJLJHV-IBGZPJMESA-N 0 0 316.445 3.282 20 10 DGCDRN Cn1cc(C(=O)NCc2cc(Cl)ccc2O)c(C(C)(C)C)n1 ZINC000846472612 631249490 /nfs/dbraw/zinc/24/94/90/631249490.db2.gz BSKFZQFBKXILOM-UHFFFAOYSA-N 0 0 321.808 3.007 20 10 DGCDRN CC[C@H](C)n1ncc(C(=O)NCc2cc(Cl)ccc2O)c1C ZINC000846474009 631249559 /nfs/dbraw/zinc/24/95/59/631249559.db2.gz QDBKOAMHBDJFKN-JTQLQIEISA-N 0 0 321.808 3.452 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)C1(C(F)F)CCCC1 ZINC000846475969 631250641 /nfs/dbraw/zinc/25/06/41/631250641.db2.gz HIYACLQRZNFSGR-UHFFFAOYSA-N 0 0 303.736 3.487 20 10 DGCDRN COC1CCC(CC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000846474821 631250873 /nfs/dbraw/zinc/25/08/73/631250873.db2.gz CHEQUCVHJAOASN-UHFFFAOYSA-N 0 0 311.809 3.257 20 10 DGCDRN COc1ccc(CNC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)c(O)c1 ZINC000846951540 631363635 /nfs/dbraw/zinc/36/36/35/631363635.db2.gz WRFQOFZLDZGCJE-QLPKVWCKSA-N 0 0 303.402 3.233 20 10 DGCDRN COc1ccc(N(Cc2cc(C(C)=O)no2)CC2CC2)cc1 ZINC000846959444 631366183 /nfs/dbraw/zinc/36/61/83/631366183.db2.gz PZQAICZFBDXMPZ-UHFFFAOYSA-N 0 0 300.358 3.302 20 10 DGCDRN CN(CC[C@H]1CCOC1=O)c1ccc(-c2nccs2)cc1 ZINC000846991562 631375243 /nfs/dbraw/zinc/37/52/43/631375243.db2.gz FTNQAUOTJHHHNZ-ZDUSSCGKSA-N 0 0 302.399 3.200 20 10 DGCDRN CC[C@H](C)NC(=O)CN(C)c1ccc(-c2nccs2)cc1 ZINC000846991974 631375901 /nfs/dbraw/zinc/37/59/01/631375901.db2.gz MKSLWUINBWDUAT-LBPRGKRZSA-N 0 0 303.431 3.161 20 10 DGCDRN Cc1cc(CN2Cc3ccccc3NC(=O)C2)ccc1N(C)C ZINC000847048972 631390772 /nfs/dbraw/zinc/39/07/72/631390772.db2.gz MBKAUYVGPGJZBZ-UHFFFAOYSA-N 0 0 309.413 3.015 20 10 DGCDRN COC[C@H](CC(C)(C)C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000847278211 631452324 /nfs/dbraw/zinc/45/23/24/631452324.db2.gz YNGYECDSCGOYOP-HNNXBMFYSA-N 0 0 321.465 3.003 20 10 DGCDRN C/C(=C/c1ccncc1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000847304606 631456859 /nfs/dbraw/zinc/45/68/59/631456859.db2.gz WUPVGYRHGVSVKD-SQFISAMPSA-N 0 0 309.413 3.210 20 10 DGCDRN CCN(CC)c1ccc(CN[C@H]2CCCn3ccnc32)cc1F ZINC000848527856 631678790 /nfs/dbraw/zinc/67/87/90/631678790.db2.gz GJDAYZQYLSRHIR-INIZCTEOSA-N 0 0 316.424 3.493 20 10 DGCDRN C[C@H]([NH2+][C@@H](C1CC1)[C@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000848558893 631692085 /nfs/dbraw/zinc/69/20/85/631692085.db2.gz PMCIJMZQBHBMIT-JECHBYEQSA-N 0 0 320.389 3.299 20 10 DGCDRN COCC1(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000848560631 631692993 /nfs/dbraw/zinc/69/29/93/631692993.db2.gz IEEQTVJDEIWOQQ-JTQLQIEISA-N 0 0 303.324 3.488 20 10 DGCDRN COC[C@H](CC(C)(C)C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000848564915 631694780 /nfs/dbraw/zinc/69/47/80/631694780.db2.gz RWVJVUIAJQLREW-NEPJUHHUSA-N 0 0 310.394 3.402 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@@H]12)c1cc(F)cc(F)c1[O-] ZINC000848568309 631696962 /nfs/dbraw/zinc/69/69/62/631696962.db2.gz FFVQIIGRHYWGQT-XZJROXQQSA-N 0 0 310.388 3.338 20 10 DGCDRN FC(F)(F)[C@H](C[C@H]1CCCO1)NCc1ccc2c(c1)CCO2 ZINC000848573855 631700202 /nfs/dbraw/zinc/70/02/02/631700202.db2.gz KLEPEIODGUBHMR-HIFRSBDPSA-N 0 0 315.335 3.211 20 10 DGCDRN FC(F)(F)[C@H](C[C@@H]1CCCO1)NCc1ccc2c(c1)CCO2 ZINC000848573857 631700292 /nfs/dbraw/zinc/70/02/92/631700292.db2.gz KLEPEIODGUBHMR-ZFWWWQNUSA-N 0 0 315.335 3.211 20 10 DGCDRN C[C@@H](C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)C(=O)[O-] ZINC000848639703 631715739 /nfs/dbraw/zinc/71/57/39/631715739.db2.gz JSLWLEKRTAZMIZ-HNNXBMFYSA-N 0 0 324.424 3.060 20 10 DGCDRN CC1(C)CCCN(c2ccnc(NCc3ccccc3O)n2)C1 ZINC000848661060 631721762 /nfs/dbraw/zinc/72/17/62/631721762.db2.gz QODLOLSZZCGCIK-UHFFFAOYSA-N 0 0 312.417 3.421 20 10 DGCDRN CCc1cccc(CNc2cccc(N3CCNC3=O)c2)c1O ZINC000848877498 631768169 /nfs/dbraw/zinc/76/81/69/631768169.db2.gz SJLZXBMIKZLRNR-UHFFFAOYSA-N 0 0 311.385 3.096 20 10 DGCDRN CCc1cccc(CN(CC(=O)OC)Cc2ccccc2)c1O ZINC000848882555 631769649 /nfs/dbraw/zinc/76/96/49/631769649.db2.gz SXLBEQALSFIDFG-UHFFFAOYSA-N 0 0 313.397 3.130 20 10 DGCDRN CCc1cccc(CNc2ccc(CC(=O)N(C)C)cc2)c1O ZINC000848892020 631774343 /nfs/dbraw/zinc/77/43/43/631774343.db2.gz IOTUQLSAMYJJHI-UHFFFAOYSA-N 0 0 312.413 3.197 20 10 DGCDRN CCc1cccc(CNc2cccc3c2CCN3C(C)=O)c1O ZINC000848903162 631780813 /nfs/dbraw/zinc/78/08/13/631780813.db2.gz NXVNYKFCIPHHDM-UHFFFAOYSA-N 0 0 310.397 3.476 20 10 DGCDRN CCc1cccc(CN2CCCC[C@@H]2c2nc(C)no2)c1O ZINC000848911828 631783936 /nfs/dbraw/zinc/78/39/36/631783936.db2.gz ZSDPGNJORTYQCM-OAHLLOKOSA-N 0 0 301.390 3.373 20 10 DGCDRN COc1ccc(CN[C@@H](C)C(=O)OCc2ccccc2)cc1C ZINC000848920483 631787637 /nfs/dbraw/zinc/78/76/37/631787637.db2.gz HMFRYPMUGSAYPK-HNNXBMFYSA-N 0 0 313.397 3.225 20 10 DGCDRN C[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])C(=O)OC(C)(C)C ZINC000848925927 631791407 /nfs/dbraw/zinc/79/14/07/631791407.db2.gz IIASLYQWRLIISY-SECBINFHSA-N 0 0 317.788 3.252 20 10 DGCDRN COc1ccc(C[NH2+][C@H]2C[C@@H](CCC(=O)[O-])C2(C)C)cc1C ZINC000849232181 631859244 /nfs/dbraw/zinc/85/92/44/631859244.db2.gz SOVUYKSUGGHCRY-ZBFHGGJFSA-N 0 0 305.418 3.373 20 10 DGCDRN CCc1ccccc1NC(=S)NCc1nccc(OC)c1F ZINC000849296671 631882997 /nfs/dbraw/zinc/88/29/97/631882997.db2.gz KHDZQXAVDUBKED-UHFFFAOYSA-N 0 0 319.405 3.278 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CNCC[C@@H]1c1ccccc1 ZINC000849349872 631900661 /nfs/dbraw/zinc/90/06/61/631900661.db2.gz MMKSGCQKYUCFIF-NVXWUHKLSA-N 0 0 316.832 3.281 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000108646625 631913531 /nfs/dbraw/zinc/91/35/31/631913531.db2.gz RYSJWBKIHOBODU-UHFFFAOYSA-N 0 0 306.406 3.142 20 10 DGCDRN C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccccc1F ZINC000108958797 631991376 /nfs/dbraw/zinc/99/13/76/631991376.db2.gz XZUYBCPQAJFTLW-CYBMUJFWSA-N 0 0 300.377 3.312 20 10 DGCDRN CC(C)(C)N1CC[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000850351930 632121892 /nfs/dbraw/zinc/12/18/92/632121892.db2.gz XISIXWGMWZLNSP-JTQLQIEISA-N 0 0 300.805 3.147 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000850373179 632130013 /nfs/dbraw/zinc/13/00/13/632130013.db2.gz DHGBBTYOSHMBKS-ZFWWWQNUSA-N 0 0 307.752 3.453 20 10 DGCDRN COc1ccnc(CNC/C=C\c2ccc(N(C)C)cc2)c1F ZINC000850381138 632134035 /nfs/dbraw/zinc/13/40/35/632134035.db2.gz VBLUWQUZGUQJNZ-PLNGDYQASA-N 0 0 315.392 3.098 20 10 DGCDRN C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000850412446 632144279 /nfs/dbraw/zinc/14/42/79/632144279.db2.gz XYYUFJZNHHOSAB-BZNIZROVSA-N 0 0 323.795 3.439 20 10 DGCDRN C[C@@H](O)[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)c1ccccc1 ZINC000850421570 632147812 /nfs/dbraw/zinc/14/78/12/632147812.db2.gz YTUDSRGPXOKKBV-HWPZZCPQSA-N 0 0 309.768 3.396 20 10 DGCDRN COC[C@H](CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])OC ZINC000850485374 632167151 /nfs/dbraw/zinc/16/71/51/632167151.db2.gz GOWMLXSDYWSEOU-UWVGGRQHSA-N 0 0 322.232 3.401 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1)c1ccc(F)cc1[O-] ZINC000850500669 632172454 /nfs/dbraw/zinc/17/24/54/632172454.db2.gz GEFDUHNTRAYYPY-QSKNSHDSSA-N 0 0 313.438 3.262 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1)c1cc(F)cc(F)c1[O-] ZINC000850500816 632172488 /nfs/dbraw/zinc/17/24/88/632172488.db2.gz GOUKJJDWISMHAW-PSDDUVHUSA-N 0 0 317.401 3.011 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)c1ccc(Cl)cc1[O-] ZINC000850501349 632173282 /nfs/dbraw/zinc/17/32/82/632173282.db2.gz AJUGCRBCDVZJAI-IUNRRVLSSA-N 0 0 315.866 3.386 20 10 DGCDRN COc1ccnc(CN[C@@H](C)c2ccc(N(C)C)cc2)c1F ZINC000850536111 632186265 /nfs/dbraw/zinc/18/62/65/632186265.db2.gz CKQIGMHCAAXDRY-LBPRGKRZSA-N 0 0 303.381 3.146 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1)c1ccc(F)cc1[O-] ZINC000850540051 632187014 /nfs/dbraw/zinc/18/70/14/632187014.db2.gz HVWXUHKFVNJQMK-DXCKQFNASA-N 0 0 317.408 3.327 20 10 DGCDRN COC(=O)N(C)CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000850548001 632189331 /nfs/dbraw/zinc/18/93/31/632189331.db2.gz MFXLVPASEUNERJ-QMMMGPOBSA-N 0 0 321.204 3.048 20 10 DGCDRN CO[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C1CCCC1 ZINC000850561056 632194511 /nfs/dbraw/zinc/19/45/11/632194511.db2.gz HNZOKGAMBSUWAN-ZBEGNZNMSA-N 0 0 308.378 3.156 20 10 DGCDRN CO[C@@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C1CCCC1 ZINC000850561054 632194747 /nfs/dbraw/zinc/19/47/47/632194747.db2.gz HNZOKGAMBSUWAN-BZNIZROVSA-N 0 0 308.378 3.156 20 10 DGCDRN COc1cccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1C ZINC000850579104 632200907 /nfs/dbraw/zinc/20/09/07/632200907.db2.gz RUJUOKDWKFJQOI-LBPRGKRZSA-N 0 0 316.357 3.468 20 10 DGCDRN COc1cccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1C ZINC000850579103 632201168 /nfs/dbraw/zinc/20/11/68/632201168.db2.gz RUJUOKDWKFJQOI-GFCCVEGCSA-N 0 0 316.357 3.468 20 10 DGCDRN Cc1cc(NC(=O)NCCCSc2nccs2)ccc1N ZINC000850778796 632223001 /nfs/dbraw/zinc/22/30/01/632223001.db2.gz YVJUCAJNYYOMOH-UHFFFAOYSA-N 0 0 322.459 3.338 20 10 DGCDRN Cc1ccc(NC(=O)CN(C)Cc2ccccc2O)c(Cl)c1 ZINC000109769553 632316226 /nfs/dbraw/zinc/31/62/26/632316226.db2.gz OKWGRUGHMSLTHR-UHFFFAOYSA-N 0 0 318.804 3.425 20 10 DGCDRN C[C@H](CNC(=O)NCCc1ccc(N)cc1)C1CCCCC1 ZINC000851664985 632467979 /nfs/dbraw/zinc/46/79/79/632467979.db2.gz NGPOIXVOIYWJKL-CQSZACIVSA-N 0 0 303.450 3.327 20 10 DGCDRN Nc1ccc(CCNC(=O)N(CCC2CC2)CC2CC2)cc1 ZINC000851664762 632467997 /nfs/dbraw/zinc/46/79/97/632467997.db2.gz KCYYJPDXNXSYQT-UHFFFAOYSA-N 0 0 301.434 3.033 20 10 DGCDRN CCN(Cc1cc(OC)ns1)Cc1ccc(N(C)C)cc1 ZINC000851721454 632475641 /nfs/dbraw/zinc/47/56/41/632475641.db2.gz LEXAORZTVCTDSA-UHFFFAOYSA-N 0 0 305.447 3.240 20 10 DGCDRN COC[C@H](CN(Cc1ccccc1)c1ccc(OC)cc1)OC ZINC000851821449 632503911 /nfs/dbraw/zinc/50/39/11/632503911.db2.gz SCIGMPWDRLSCSM-IBGZPJMESA-N 0 0 315.413 3.363 20 10 DGCDRN CC[C@H](C)[C@@H](C)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852007332 632538446 /nfs/dbraw/zinc/53/84/46/632538446.db2.gz ADJNSGRLCKZIFG-ZNMIVQPWSA-N 0 0 319.449 3.008 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)CC(C)C)C2)cc1 ZINC000852222631 632574365 /nfs/dbraw/zinc/57/43/65/632574365.db2.gz IJFYYUMAEHOABP-HUUCEWRRSA-N 0 0 319.449 3.008 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)C(C)(C)C)C2)cc1 ZINC000852401620 632599607 /nfs/dbraw/zinc/59/96/07/632599607.db2.gz VMIVDYCXMUUEQT-ZIAGYGMSSA-N 0 0 319.449 3.008 20 10 DGCDRN CCCCN(CC)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852453376 632606037 /nfs/dbraw/zinc/60/60/37/632606037.db2.gz LSAOVSLNWBPTSI-OAHLLOKOSA-N 0 0 319.449 3.106 20 10 DGCDRN CC[C@@H]([NH2+]CCc1cccc(C(=O)NC)c1)c1ccccc1O ZINC000185212117 660208350 /nfs/dbraw/zinc/20/83/50/660208350.db2.gz VFMDILRSXRHHCX-QGZVFWFLSA-N 0 0 312.413 3.035 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2ncccc2c1 ZINC000185389583 660221274 /nfs/dbraw/zinc/22/12/74/660221274.db2.gz ILQHCBPUDMPSIM-LBPRGKRZSA-N 0 0 322.364 3.007 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OC[C@@H]1CCOC1 ZINC000131194055 660226940 /nfs/dbraw/zinc/22/69/40/660226940.db2.gz CTXFGHIDEYUMIP-CYBMUJFWSA-N 0 0 305.399 3.349 20 10 DGCDRN COc1cccc(CNC(=O)N[C@H](C)CCCC(C)C)c1O ZINC000073430100 660339809 /nfs/dbraw/zinc/33/98/09/660339809.db2.gz PVPINBPZOJUJCK-CYBMUJFWSA-N 0 0 308.422 3.415 20 10 DGCDRN C[C@H](Nc1cnn(Cc2ccncc2)c1)c1cc(F)ccc1O ZINC000186390020 660380231 /nfs/dbraw/zinc/38/02/31/660380231.db2.gz MIPJWADLLGBTBK-LBPRGKRZSA-N 0 0 312.348 3.344 20 10 DGCDRN Cc1cccc(CCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000186427215 660415263 /nfs/dbraw/zinc/41/52/63/660415263.db2.gz NGJWLIJFPDKZCS-AWEZNQCLSA-N 0 0 313.397 3.086 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1F ZINC000073915811 660574814 /nfs/dbraw/zinc/57/48/14/660574814.db2.gz UFXRULGUWBASAK-HOCLYGCPSA-N 0 0 319.424 3.366 20 10 DGCDRN CCC(C)(C)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000163716092 660600861 /nfs/dbraw/zinc/60/08/61/660600861.db2.gz FGWCOKZGPGOODX-UHFFFAOYSA-N 0 0 321.490 3.228 20 10 DGCDRN CC[C@@H]1CN(Cc2c(O)cccc2Br)C[C@H](C)O1 ZINC000707140243 660887045 /nfs/dbraw/zinc/88/70/45/660887045.db2.gz OONJAKYWLBGTQH-WDEREUQCSA-N 0 0 314.223 3.154 20 10 DGCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]C[C@@H]1CCCO1 ZINC000708056471 660916951 /nfs/dbraw/zinc/91/69/51/660916951.db2.gz LOPGHYSSUDSRIO-JTQLQIEISA-N 0 0 320.614 3.077 20 10 DGCDRN CCC[C@@H]1CN(Cc2c(O)cccc2Br)CCO1 ZINC000709023214 660923413 /nfs/dbraw/zinc/92/34/13/660923413.db2.gz ZLVRQTHLBQXHHJ-LLVKDONJSA-N 0 0 314.223 3.156 20 10 DGCDRN CN(C)c1ccc(CN2CCSCC2)c(C(F)(F)F)c1 ZINC000792779055 660984128 /nfs/dbraw/zinc/98/41/28/660984128.db2.gz YYTVUHKTDBBRMJ-UHFFFAOYSA-N 0 0 304.381 3.320 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H](C)CCCC(C)C)c(O)c1 ZINC000792777872 660984206 /nfs/dbraw/zinc/98/42/06/660984206.db2.gz OAERVVQEQKNXMU-ZDUSSCGKSA-N 0 0 308.422 3.415 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C(F)(F)Cc2ccccc2)cc1 ZINC000792848508 660988465 /nfs/dbraw/zinc/98/84/65/660988465.db2.gz MBBHRQCRAFXFKO-UHFFFAOYSA-N 0 0 318.367 3.247 20 10 DGCDRN COc1ccc(CNC(=O)NC[C@H]2CCC[C@@H](C)C2)c(O)c1 ZINC000792903721 660992659 /nfs/dbraw/zinc/99/26/59/660992659.db2.gz KWMYDKYGPLIPLQ-OLZOCXBDSA-N 0 0 306.406 3.026 20 10 DGCDRN COc1ccc(CNC(=O)NCCCCC(C)(C)C)c(O)c1 ZINC000792904637 660992683 /nfs/dbraw/zinc/99/26/83/660992683.db2.gz OQHOWBBGSMUKAC-UHFFFAOYSA-N 0 0 308.422 3.416 20 10 DGCDRN CCC1CCC(CNC(=O)NCc2ccc(OC)cc2O)CC1 ZINC000792928165 660994674 /nfs/dbraw/zinc/99/46/74/660994674.db2.gz INYXIMUUVPUSIU-UHFFFAOYSA-N 0 0 320.433 3.416 20 10 DGCDRN Cc1cc(CNCc2ccc(N(C)C)cc2C(F)(F)F)no1 ZINC000792933011 660995183 /nfs/dbraw/zinc/99/51/83/660995183.db2.gz WSOZGFBIJJNUEO-UHFFFAOYSA-N 0 0 313.323 3.358 20 10 DGCDRN COc1ccc(CNC(=O)N[C@H]2CCCC[C@H]2C(C)C)c(O)c1 ZINC000792981582 660998538 /nfs/dbraw/zinc/99/85/38/660998538.db2.gz XPPZLQPUJBIFNZ-HOTGVXAUSA-N 0 0 320.433 3.415 20 10 DGCDRN COc1ccc(CNC(=O)NCC2(CC(C)C)CCC2)c(O)c1 ZINC000792992574 660999105 /nfs/dbraw/zinc/99/91/05/660999105.db2.gz PYVBFCOLTYYALG-UHFFFAOYSA-N 0 0 320.433 3.416 20 10 DGCDRN CC[C@@H](C)[C@H](OC)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000793107708 661005111 /nfs/dbraw/zinc/00/51/11/661005111.db2.gz PVOPVKJLTLAIAP-PBHICJAKSA-N 0 0 306.450 3.210 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CCCOC1 ZINC000793134591 661006849 /nfs/dbraw/zinc/00/68/49/661006849.db2.gz UOPSMDWJCNLRBN-KRWDZBQOSA-N 0 0 318.461 3.306 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H]2CC[C@@H](C)[C@H](C)C2)c(O)c1 ZINC000793151285 661007528 /nfs/dbraw/zinc/00/75/28/661007528.db2.gz UKFLCEWPKKVXKA-YRGRVCCFSA-N 0 0 306.406 3.025 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CC[C@@H](C)C2)c1 ZINC000793274335 661019743 /nfs/dbraw/zinc/01/97/43/661019743.db2.gz SRRLLBILXMVIEZ-FRRDWIJNSA-N 0 0 306.406 3.197 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCC1(O)CCC1 ZINC000793499673 661039261 /nfs/dbraw/zinc/03/92/61/661039261.db2.gz HSTDMCCVOCEXPI-UHFFFAOYSA-N 0 0 318.442 3.191 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1cnc2n1CCCC2 ZINC000793620880 661050643 /nfs/dbraw/zinc/05/06/43/661050643.db2.gz RXHYSTSKEBPCGB-UHFFFAOYSA-N 0 0 309.772 3.007 20 10 DGCDRN Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)c(C)cc1Cl ZINC000793680251 661052997 /nfs/dbraw/zinc/05/29/97/661052997.db2.gz HTSUWVKRXIFKTK-UHFFFAOYSA-N 0 0 319.788 3.341 20 10 DGCDRN COc1cccc(CNC(=O)c2coc3cc(F)ccc23)c1O ZINC000793690732 661053627 /nfs/dbraw/zinc/05/36/27/661053627.db2.gz XPGNFCSOPWXAJW-UHFFFAOYSA-N 0 0 315.300 3.216 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2Cc3ccc(F)cc32)c1 ZINC000793690009 661053739 /nfs/dbraw/zinc/05/37/39/661053739.db2.gz RNOHJEXRLQQBLE-QLJPJBMISA-N 0 0 315.344 3.057 20 10 DGCDRN COc1ccc(CNC(=O)c2cccc3ccc(C)nc32)c(O)c1 ZINC000794372728 661081302 /nfs/dbraw/zinc/08/13/02/661081302.db2.gz CQZAIEMNKIXIMT-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN CCc1ccc([C@H](C)C(=O)NCc2ccc(OC)cc2O)cc1 ZINC000794373287 661081338 /nfs/dbraw/zinc/08/13/38/661081338.db2.gz IYKRQQHCXZQBNB-ZDUSSCGKSA-N 0 0 313.397 3.383 20 10 DGCDRN COc1ccc(CNC(=O)/C=C\Sc2ccccc2)c(O)c1 ZINC000794371197 661081459 /nfs/dbraw/zinc/08/14/59/661081459.db2.gz YIZZRSJSCXXPHL-KTKRTIGZSA-N 0 0 315.394 3.323 20 10 DGCDRN COc1ccc(CNC(=O)CCCc2ccsc2)c(O)c1 ZINC000794379506 661081704 /nfs/dbraw/zinc/08/17/04/661081704.db2.gz OAJGZYBFIXKVDX-UHFFFAOYSA-N 0 0 305.399 3.101 20 10 DGCDRN COc1ccc(CNC(=O)Cc2c(C)cccc2Cl)c(O)c1 ZINC000794376920 661081793 /nfs/dbraw/zinc/08/17/93/661081793.db2.gz MGYNFQWEJFZQLU-UHFFFAOYSA-N 0 0 319.788 3.222 20 10 DGCDRN COc1ccc(CNC(=O)[C@@H](C)Cc2ccccc2F)c(O)c1 ZINC000794387363 661082101 /nfs/dbraw/zinc/08/21/01/661082101.db2.gz FAQDAYFNLHCLDL-LBPRGKRZSA-N 0 0 317.360 3.035 20 10 DGCDRN COc1ccc(CNC(=O)c2cc3occc3s2)c(O)c1 ZINC000794384295 661082147 /nfs/dbraw/zinc/08/21/47/661082147.db2.gz YVCKIBYKKPPYFG-UHFFFAOYSA-N 0 0 303.339 3.139 20 10 DGCDRN COc1ccc(CNC(=O)c2ccc(C)c(Cl)c2F)c(O)c1 ZINC000794388304 661082612 /nfs/dbraw/zinc/08/26/12/661082612.db2.gz WAIMEPYRDUWWSP-UHFFFAOYSA-N 0 0 323.751 3.432 20 10 DGCDRN COc1ccc(CNC(=O)/C=C\c2ccc(Cl)cc2)c(O)c1 ZINC000794389385 661082719 /nfs/dbraw/zinc/08/27/19/661082719.db2.gz MNDQEHQYMPSNEE-WTKPLQERSA-N 0 0 317.772 3.384 20 10 DGCDRN Cc1cnn(C)c1/C=C1\SC(=S)N(c2ccccc2)C1=O ZINC000794688158 661099262 /nfs/dbraw/zinc/09/92/62/661099262.db2.gz XTLJDIQHZMMJLU-JYRVWZFOSA-N 0 0 315.423 3.134 20 10 DGCDRN COc1ccc(CNC(=O)Nc2cccc3cccnc32)c(O)c1 ZINC000794762285 661104354 /nfs/dbraw/zinc/10/43/54/661104354.db2.gz RDZRNLHOYSMUBH-UHFFFAOYSA-N 0 0 323.352 3.271 20 10 DGCDRN COc1ccc(CNC(=O)Nc2nc(C3CC3)cs2)c(O)c1 ZINC000794762380 661104370 /nfs/dbraw/zinc/10/43/70/661104370.db2.gz TXEBKOOWTIZQOU-UHFFFAOYSA-N 0 0 319.386 3.056 20 10 DGCDRN CN(C)c1ccc(C=Cc2n[nH]cc2C=O)c(C(F)(F)F)c1 ZINC000794935015 661114810 /nfs/dbraw/zinc/11/48/10/661114810.db2.gz PAGYQWWCVGTBSO-XQRVVYSFSA-N 0 0 309.291 3.477 20 10 DGCDRN COc1ccc(CNC(=S)Nc2ccc(C)cc2)c(O)c1 ZINC000795030369 661122479 /nfs/dbraw/zinc/12/24/79/661122479.db2.gz AEMPMLWSPNSIPL-UHFFFAOYSA-N 0 0 302.399 3.196 20 10 DGCDRN COc1ccc(CNC(=S)Nc2ccccc2F)c(O)c1 ZINC000795031740 661122693 /nfs/dbraw/zinc/12/26/93/661122693.db2.gz NCISIIZACZOEPD-UHFFFAOYSA-N 0 0 306.362 3.027 20 10 DGCDRN COc1ccc(CNc2nc(C(F)(F)F)cs2)c(O)c1 ZINC000795290050 661138666 /nfs/dbraw/zinc/13/86/66/661138666.db2.gz OZIDPIGDNYEKLS-UHFFFAOYSA-N 0 0 304.293 3.488 20 10 DGCDRN Cc1cc(C=C2SC(=S)NC2=O)c(OC(F)F)cc1C ZINC000254970338 655551249 /nfs/dbraw/zinc/55/12/49/655551249.db2.gz HFXBTPVKQOCYMC-YHYXMXQVSA-N 0 0 315.366 3.394 20 10 DGCDRN O=C1NC(=S)S/C1=C\c1cnc(-c2cccs2)s1 ZINC000177609154 655602055 /nfs/dbraw/zinc/60/20/55/655602055.db2.gz TYNUGIBJZUZQIN-YWEYNIOJSA-N 0 0 310.450 3.360 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(Cl)cn2)c1 ZINC000175863490 655615130 /nfs/dbraw/zinc/61/51/30/655615130.db2.gz RXBCFEPAAKWJSO-SECBINFHSA-N 0 0 321.764 3.332 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000077204229 655674630 /nfs/dbraw/zinc/67/46/30/655674630.db2.gz VYPMTIGARYDXNA-RNCFNFMXSA-N 0 0 304.217 3.340 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000077204231 655674655 /nfs/dbraw/zinc/67/46/55/655674655.db2.gz VYPMTIGARYDXNA-TVQRCGJNSA-N 0 0 304.217 3.340 20 10 DGCDRN CC(C)[C@@H](O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000795760740 661171957 /nfs/dbraw/zinc/17/19/57/661171957.db2.gz ODAKEUHXQFTCGA-GOSISDBHSA-N 0 0 318.461 3.089 20 10 DGCDRN Cc1cc(C#N)cc(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000308107632 655687678 /nfs/dbraw/zinc/68/76/78/655687678.db2.gz IQMACABZMIXYCA-UHFFFAOYSA-N 0 0 307.397 3.315 20 10 DGCDRN CSCC[C@H](C)N(C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000077603059 655705739 /nfs/dbraw/zinc/70/57/39/655705739.db2.gz GXFOZUINDPEBQS-AWEZNQCLSA-N 0 0 323.506 3.344 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc3c(s2)CCC3)c1 ZINC000157885359 655706261 /nfs/dbraw/zinc/70/62/61/655706261.db2.gz DEZKAHDDVHGZHK-SNVBAGLBSA-N 0 0 317.410 3.442 20 10 DGCDRN CNC(=O)C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccccc1 ZINC000795848851 661175723 /nfs/dbraw/zinc/17/57/23/661175723.db2.gz AQFXRANGZNOEEZ-BLLLJJGKSA-N 0 0 316.376 3.059 20 10 DGCDRN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(N2CCCC2)cc1 ZINC000178195527 655720435 /nfs/dbraw/zinc/72/04/35/655720435.db2.gz YHZOMUHPYLYUHM-HZPDHXFCSA-N 0 0 316.445 3.455 20 10 DGCDRN O=C(/C=C\c1cncc(O)c1)N1CCc2ccc(Cl)cc21 ZINC000255380338 655723051 /nfs/dbraw/zinc/72/30/51/655723051.db2.gz WZDFFZJQOUDSSC-RJRFIUFISA-N 0 0 300.745 3.043 20 10 DGCDRN Cc1ccc(C=C2SC(=S)NC2=O)cc1Br ZINC000255389220 655726354 /nfs/dbraw/zinc/72/63/54/655726354.db2.gz YZGDKPWWXYDCAY-UITAMQMPSA-N 0 0 314.229 3.246 20 10 DGCDRN Cc1ccc(/C=C2\SC(=S)N(Cc3ccon3)C2=O)cc1 ZINC000255396056 655729328 /nfs/dbraw/zinc/72/93/28/655729328.db2.gz WKFDQDIQCYCMES-JYRVWZFOSA-N 0 0 316.407 3.384 20 10 DGCDRN C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@H]1C ZINC000161298600 655780598 /nfs/dbraw/zinc/78/05/98/655780598.db2.gz NBBRNMJAPKMYDA-CHWSQXEVSA-N 0 0 307.413 3.079 20 10 DGCDRN CCN(Cc1ccccc1)c1ccc(CNc2nncn2C)cc1 ZINC000162107934 655846655 /nfs/dbraw/zinc/84/66/55/655846655.db2.gz QFZQAXSILMINJL-UHFFFAOYSA-N 0 0 321.428 3.454 20 10 DGCDRN Cc1ccc(CCNC(=O)N(C)Cc2ccccc2O)c(C)c1 ZINC000065699240 655863830 /nfs/dbraw/zinc/86/38/30/655863830.db2.gz FEGHBYKKHGISGF-UHFFFAOYSA-N 0 0 312.413 3.393 20 10 DGCDRN O=C1NC(=S)S/C1=C/c1cc(Cl)ccc1OC(F)F ZINC000255669661 655888345 /nfs/dbraw/zinc/88/83/45/655888345.db2.gz BRXACGVECOQQJD-XBXARRHUSA-N 0 0 321.757 3.430 20 10 DGCDRN O=C(/C=C\c1cncc(F)c1)N1CCc2ccc(Cl)cc21 ZINC000255679948 655889778 /nfs/dbraw/zinc/88/97/78/655889778.db2.gz QZSZSLBMSCPYDP-RJRFIUFISA-N 0 0 302.736 3.477 20 10 DGCDRN Cc1ccc(C(=O)N[C@H]2CCSc3ccccc32)c(O)c1O ZINC000179392651 655891692 /nfs/dbraw/zinc/89/16/92/655891692.db2.gz QUCBPNBVVUFMHC-ZDUSSCGKSA-N 0 0 315.394 3.373 20 10 DGCDRN Cc1noc(C)c1C=C1SC(NC2CCCCC2)=NC1=O ZINC000255831503 655908589 /nfs/dbraw/zinc/90/85/89/655908589.db2.gz MOAKAJFJJZRCHC-MDWZMJQESA-N 0 0 305.403 3.184 20 10 DGCDRN CCOc1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1F ZINC000177674929 655938697 /nfs/dbraw/zinc/93/86/97/655938697.db2.gz LEBVDHSEYQJJDC-UHFFFAOYSA-N 0 0 305.305 3.196 20 10 DGCDRN CC(C)CN(C(=O)COc1ccc(N2CCCC2)cc1)C1CC1 ZINC000178196150 655960345 /nfs/dbraw/zinc/96/03/45/655960345.db2.gz PCSDSBOOTNUNKI-UHFFFAOYSA-N 0 0 316.445 3.313 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)CCSC ZINC000077643819 655961871 /nfs/dbraw/zinc/96/18/71/655961871.db2.gz BYQPIDZJFNSAFY-CYBMUJFWSA-N 0 0 310.463 3.455 20 10 DGCDRN CN1C(=O)/C(=C/c2ccc(F)c3cccnc23)SC1=S ZINC000164672933 655980980 /nfs/dbraw/zinc/98/09/80/655980980.db2.gz GJEYZZBLVUBWBK-XFFZJAGNSA-N 0 0 304.371 3.205 20 10 DGCDRN COc1ccc(O)c(CNC(=O)/C=C/Sc2ccccc2)c1 ZINC000178284177 656026850 /nfs/dbraw/zinc/02/68/50/656026850.db2.gz UHOKPYCGPWNDIE-MDZDMXLPSA-N 0 0 315.394 3.323 20 10 DGCDRN O=C1NC(=S)S/C1=C/c1ccc(SC(F)F)cc1 ZINC000180425745 656092717 /nfs/dbraw/zinc/09/27/17/656092717.db2.gz YUVDDGIZXURKAY-VMPITWQZSA-N 0 0 303.380 3.490 20 10 DGCDRN C[C@@H](CCc1ccccc1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180586627 656093765 /nfs/dbraw/zinc/09/37/65/656093765.db2.gz MIZUXGAPHCZFJQ-WONIAPNHSA-N 0 0 311.381 3.249 20 10 DGCDRN Cc1ccc(C(=O)Nc2cccc(-c3cc[nH]n3)c2)c(O)c1O ZINC000181938432 656101863 /nfs/dbraw/zinc/10/18/63/656101863.db2.gz UJTLXZTVWWIMOT-UHFFFAOYSA-N 0 0 309.325 3.049 20 10 DGCDRN Cc1cc(C(=O)NC(C)(C)CCO)c(C)n1-c1ccccc1C ZINC000182463082 656105799 /nfs/dbraw/zinc/10/57/99/656105799.db2.gz AUUOKYLZBNLTDW-UHFFFAOYSA-N 0 0 314.429 3.293 20 10 DGCDRN CC(C)COc1cccc(C(=O)NCc2ccc(O)c(O)c2)c1 ZINC000182542452 656106536 /nfs/dbraw/zinc/10/65/36/656106536.db2.gz VIMIATOVDMKHRN-UHFFFAOYSA-N 0 0 315.369 3.063 20 10 DGCDRN COC(=O)c1ccc(NCc2cc(C)ccc2O)c(OC)c1 ZINC000188708852 656148644 /nfs/dbraw/zinc/14/86/44/656148644.db2.gz IWQIDZCYYZQFFK-UHFFFAOYSA-N 0 0 301.342 3.108 20 10 DGCDRN Cn1cccc1C(=O)CSc1ncc(-c2ccccc2)n1C ZINC000024975842 656172739 /nfs/dbraw/zinc/17/27/39/656172739.db2.gz NYVBLWCRYBGGAF-UHFFFAOYSA-N 0 0 311.410 3.401 20 10 DGCDRN CSc1cc(O)ccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000192155246 656175628 /nfs/dbraw/zinc/17/56/28/656175628.db2.gz JQKIVIZXHKDLFX-UHFFFAOYSA-N 0 0 309.412 3.223 20 10 DGCDRN Cn1nc(C2CCCCC2)cc1NC(=O)c1cccc(O)c1O ZINC000193137188 656185940 /nfs/dbraw/zinc/18/59/40/656185940.db2.gz GOTQBKNEHQWKKB-UHFFFAOYSA-N 0 0 315.373 3.131 20 10 DGCDRN C/C(=C\C(=O)NCc1ccc(O)c(O)c1)c1ccccc1Cl ZINC000178443304 656321907 /nfs/dbraw/zinc/32/19/07/656321907.db2.gz DJRBPFQZYJQJCS-DHZHZOJOSA-N 0 0 317.772 3.471 20 10 DGCDRN CN(C)c1ccc(C[N@@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000318130031 656721245 /nfs/dbraw/zinc/72/12/45/656721245.db2.gz SLYPRDCCHCGOCU-HNNXBMFYSA-N 0 0 304.434 3.075 20 10 DGCDRN COc1ccc(N2CCN(C(=O)C[C@H]3CC=CCC3)CC2)cc1 ZINC000929249046 661291145 /nfs/dbraw/zinc/29/11/45/661291145.db2.gz COYULUROLOYQNI-INIZCTEOSA-N 0 0 314.429 3.090 20 10 DGCDRN CCNC(=O)c1cccc(N[C@H](C)c2cc(OC)ccc2O)c1 ZINC000320002763 656829637 /nfs/dbraw/zinc/82/96/37/656829637.db2.gz HEVGIVNKSXTROV-GFCCVEGCSA-N 0 0 314.385 3.324 20 10 DGCDRN Cc1cc(C(=O)N2CCO[C@@H](C)C2)c(C)n1-c1ccccc1C ZINC000054134566 656969087 /nfs/dbraw/zinc/96/90/87/656969087.db2.gz MXFZELCJRBKVJK-HNNXBMFYSA-N 0 0 312.413 3.263 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cccc(N)c2)cc1F ZINC000178768440 657042719 /nfs/dbraw/zinc/04/27/19/657042719.db2.gz ZWTPLJXITJUPCR-UHFFFAOYSA-N 0 0 315.392 3.184 20 10 DGCDRN O=C(CCOc1ccccc1)NCc1ccc(N2CCCC2)cc1 ZINC000028336151 657062986 /nfs/dbraw/zinc/06/29/86/657062986.db2.gz IHNQLRCDQSUWPC-UHFFFAOYSA-N 0 0 324.424 3.372 20 10 DGCDRN CN(Cc1cc(F)ccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000178881027 657094773 /nfs/dbraw/zinc/09/47/73/657094773.db2.gz UCCQEGNICGJTEX-UHFFFAOYSA-N 0 0 304.277 3.099 20 10 DGCDRN Cc1ccc(NC2=NC(=O)C(=Cc3cnn(C)c3)S2)c(C)c1 ZINC000014177856 657368831 /nfs/dbraw/zinc/36/88/31/657368831.db2.gz TUWXPRLAZJOTHX-VGOFMYFVSA-N 0 0 312.398 3.119 20 10 DGCDRN COc1ccc(N(C)Cc2nc3ccccc3n2C)c(OC)c1 ZINC000179006628 657389019 /nfs/dbraw/zinc/38/90/19/657389019.db2.gz CUGBLRLRFGFVEU-UHFFFAOYSA-N 0 0 311.385 3.227 20 10 DGCDRN O=C(Nc1cccc(N2CCOCC2)c1)c1cc(F)ccc1F ZINC000096733744 657553841 /nfs/dbraw/zinc/55/38/41/657553841.db2.gz FFKVGDGHLVJBAB-UHFFFAOYSA-N 0 0 318.323 3.054 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000320570287 657600984 /nfs/dbraw/zinc/60/09/84/657600984.db2.gz QCPPYHQSWBHYGE-UWVGGRQHSA-N 0 0 315.348 3.113 20 10 DGCDRN Cc1cc(C(=O)N(C)Cc2cccnc2)c(C)n1-c1ccccn1 ZINC000097405669 657638037 /nfs/dbraw/zinc/63/80/37/657638037.db2.gz PUMMWEOPMBMVQY-UHFFFAOYSA-N 0 0 320.396 3.156 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)c1cccc(C(F)F)c1 ZINC000179091485 657693644 /nfs/dbraw/zinc/69/36/44/657693644.db2.gz ILMPIJQZBYUPTF-UHFFFAOYSA-N 0 0 307.296 3.008 20 10 DGCDRN CCOc1ccc(N(C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000305197895 657693885 /nfs/dbraw/zinc/69/38/85/657693885.db2.gz USTFYGYIYOQESK-QGZVFWFLSA-N 0 0 316.357 3.163 20 10 DGCDRN CC(C)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000016183861 658344937 /nfs/dbraw/zinc/34/49/37/658344937.db2.gz YVLQFVQSGMWUOR-UHFFFAOYSA-N 0 0 308.333 3.275 20 10 DGCDRN CCOC(=O)[C@@H](C)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000179194825 658380322 /nfs/dbraw/zinc/38/03/22/658380322.db2.gz KYVMXMMOINUEBQ-OAHLLOKOSA-N 0 0 304.434 3.060 20 10 DGCDRN COc1ccc(N2CCN(C(=O)[C@@H](C)C3CCCC3)CC2)cc1 ZINC000041334779 658712083 /nfs/dbraw/zinc/71/20/83/658712083.db2.gz AAYORXZPSLKSBI-HNNXBMFYSA-N 0 0 316.445 3.170 20 10 DGCDRN C[C@@H](Cc1ccco1)[NH2+]Cc1cccc(Br)c1[O-] ZINC000042412003 658772694 /nfs/dbraw/zinc/77/26/94/658772694.db2.gz ZSFBLSDZBVYBJJ-JTQLQIEISA-N 0 0 310.191 3.469 20 10 DGCDRN CCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1ccc(O)c(O)c1 ZINC000054701735 658887331 /nfs/dbraw/zinc/88/73/31/658887331.db2.gz GBLFUMPGIHSDEV-OAHLLOKOSA-N 0 0 318.760 3.338 20 10 DGCDRN Cc1ccc(C(C)(C)C(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000156598496 658926967 /nfs/dbraw/zinc/92/69/67/658926967.db2.gz NGBYWFFTWHYPFM-UHFFFAOYSA-N 0 0 313.397 3.043 20 10 DGCDRN CC(C)(C)c1cnc(SCC(=O)NCc2ccco2)s1 ZINC000164382713 658930610 /nfs/dbraw/zinc/93/06/10/658930610.db2.gz MUXPOBJGWDOAAI-UHFFFAOYSA-N 0 0 310.444 3.442 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)/C=C(/C)C3CC3)CC2)cc1 ZINC000055877143 658941550 /nfs/dbraw/zinc/94/15/50/658941550.db2.gz MOIXDYAFPQFFOG-PFONDFGASA-N 0 0 314.429 3.090 20 10 DGCDRN CCCCCNC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000056371674 658965724 /nfs/dbraw/zinc/96/57/24/658965724.db2.gz OIZXNCSKNJNCNA-UHFFFAOYSA-N 0 0 319.449 3.107 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H](C)OC[C@H]2C)cc1 ZINC000045449239 658983118 /nfs/dbraw/zinc/98/31/18/658983118.db2.gz ZWCHIAWWUJMEGK-CVEARBPZSA-N 0 0 312.413 3.344 20 10 DGCDRN O=S(=O)(Nc1ccc(O)cc1)c1ccc(C(F)(F)F)cc1 ZINC000167964215 659120045 /nfs/dbraw/zinc/12/00/45/659120045.db2.gz IJGWCNSHWGIFQJ-UHFFFAOYSA-N 0 0 317.288 3.212 20 10 DGCDRN COc1cccc(CNc2ccc(Br)nc2)c1O ZINC000226665452 659136719 /nfs/dbraw/zinc/13/67/19/659136719.db2.gz HLGQNCUOQDCQMP-UHFFFAOYSA-N 0 0 309.163 3.170 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(F)cc2F)cc1 ZINC000060678558 659193117 /nfs/dbraw/zinc/19/31/17/659193117.db2.gz OHKSMXRFMFDJHV-UHFFFAOYSA-N 0 0 304.340 3.303 20 10 DGCDRN [O-]c1c(Br)cccc1C[NH2+]C[C@@H]1CCCS1 ZINC000087473298 659214059 /nfs/dbraw/zinc/21/40/59/659214059.db2.gz CPHRVFNVOHGGJI-JTQLQIEISA-N 0 0 302.237 3.140 20 10 DGCDRN CSCCCN1C(=O)/C(=C/c2cccnc2C)SC1=S ZINC000170903545 659246160 /nfs/dbraw/zinc/24/61/60/659246160.db2.gz VWKGNWJKODFBDA-XFXZXTDPSA-N 0 0 324.496 3.344 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)/C=C(\C)C3CC3)CC2)cc1 ZINC000171018290 659255018 /nfs/dbraw/zinc/25/50/18/659255018.db2.gz AXWRSDVCCYDIAQ-BUHFOSPRSA-N 0 0 314.429 3.137 20 10 DGCDRN Cc1cc(C(=O)NCCc2ncc[nH]2)c(C)n1-c1ccccc1C ZINC000171754992 659296832 /nfs/dbraw/zinc/29/68/32/659296832.db2.gz VJLSGEOENAQPQF-UHFFFAOYSA-N 0 0 322.412 3.098 20 10 DGCDRN CC[C@@H](C)CN(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000171836466 659300519 /nfs/dbraw/zinc/30/05/19/659300519.db2.gz NZVWZOGOEANHRA-OAHLLOKOSA-N 0 0 303.450 3.474 20 10 DGCDRN O=C(NCc1ccsc1)NCc1ccc(N2CC=CC2)cc1 ZINC000172694080 659349462 /nfs/dbraw/zinc/34/94/62/659349462.db2.gz QTLFMHMHTOLHMN-UHFFFAOYSA-N 0 0 313.426 3.124 20 10 DGCDRN COCCC(C)(C)C[NH2+]Cc1cccc(Br)c1[O-] ZINC000230863869 659355022 /nfs/dbraw/zinc/35/50/22/659355022.db2.gz YJTYGTIKGAKDNY-UHFFFAOYSA-N 0 0 316.239 3.307 20 10 DGCDRN O=C1N[C@H](c2ccc(O)c(O)c2)Nc2c3ccccc3sc21 ZINC000172860837 659360567 /nfs/dbraw/zinc/36/05/67/659360567.db2.gz MYDFKNHMPUGVAY-OAHLLOKOSA-N 0 0 312.350 3.167 20 10 DGCDRN C[C@@H]1CC[C@@H](CCC(=O)NCCCSc2nccs2)O1 ZINC000173561516 659393108 /nfs/dbraw/zinc/39/31/08/659393108.db2.gz JGCKMVVMSXJLHM-NEPJUHHUSA-N 0 0 314.476 3.089 20 10 DGCDRN CCCCc1nc(CN(C)c2ccc(OC)c(OC)c2)no1 ZINC000063618018 659400400 /nfs/dbraw/zinc/40/04/00/659400400.db2.gz KNIAHSFWVOEXFD-UHFFFAOYSA-N 0 0 305.378 3.066 20 10 DGCDRN COc1cccc(CNC(=O)NC[C@@H]2CCCC[C@@H]2C)c1O ZINC000174339616 659428247 /nfs/dbraw/zinc/42/82/47/659428247.db2.gz ZLNOZVLTFNCGSP-STQMWFEESA-N 0 0 306.406 3.026 20 10 DGCDRN COc1ccc(-n2c(C)cc(C(=O)NCC(F)F)c2C)cc1 ZINC000174559073 659438949 /nfs/dbraw/zinc/43/89/49/659438949.db2.gz AAJANQNLUYQAIF-UHFFFAOYSA-N 0 0 308.328 3.098 20 10 DGCDRN COc1cccc(CNC(=O)CCn2ccc3ccccc32)c1O ZINC000068488898 659954529 /nfs/dbraw/zinc/95/45/29/659954529.db2.gz UQKNPEWOJFYYIO-UHFFFAOYSA-N 0 0 324.380 3.062 20 10 DGCDRN C[C@@H](NC(=O)C[C@H](C)C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000068513645 659955675 /nfs/dbraw/zinc/95/56/75/659955675.db2.gz QICPPHGUFZENJQ-LSDHHAIUSA-N 0 0 316.445 3.137 20 10 DGCDRN CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CCc2ccccc21 ZINC000180621431 659966331 /nfs/dbraw/zinc/96/63/31/659966331.db2.gz SWQHMXLBPLIHMO-BPLPYTOXSA-N 0 0 309.365 3.257 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cc(F)c(F)cc1F ZINC000180754787 659970387 /nfs/dbraw/zinc/97/03/87/659970387.db2.gz YPYIJUKZOISYLA-DUXPYHPUSA-N 0 0 309.243 3.167 20 10 DGCDRN Cc1c(CNC(=O)/C=C/c2ccc(O)c(O)c2)oc2ccccc12 ZINC000180784591 659970545 /nfs/dbraw/zinc/97/05/45/659970545.db2.gz HIMLFOGNIMIWPB-VQHVLOKHSA-N 0 0 323.348 3.482 20 10 DGCDRN COc1ccc(N(C)Cc2ccc(NC(C)=O)cc2)cc1F ZINC000180774254 659970551 /nfs/dbraw/zinc/97/05/51/659970551.db2.gz NHHYUHAUTVGUEL-UHFFFAOYSA-N 0 0 302.349 3.429 20 10 DGCDRN CCCN(Cc1nc(C(C)(C)C)no1)Cc1ccccc1O ZINC000068973677 659970738 /nfs/dbraw/zinc/97/07/38/659970738.db2.gz WTYODQFFTYTZNM-UHFFFAOYSA-N 0 0 303.406 3.485 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2csc(C(C)C)n2)c1 ZINC000170900462 659976060 /nfs/dbraw/zinc/97/60/60/659976060.db2.gz APXUKWRBAJRQHK-SNVBAGLBSA-N 0 0 320.414 3.472 20 10 DGCDRN Cc1c(C#N)cccc1NCc1ccc(N2CCOCC2)cc1 ZINC000181449672 660000657 /nfs/dbraw/zinc/00/06/57/660000657.db2.gz HADPWWYSDAYJQM-UHFFFAOYSA-N 0 0 307.397 3.315 20 10 DGCDRN CC[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000069638164 660012209 /nfs/dbraw/zinc/01/22/09/660012209.db2.gz HWBDFXJRHXWVGQ-CRAIPNDOSA-N 0 0 318.461 3.306 20 10 DGCDRN C[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])[C@@H]1C[NH3+] ZINC000070175416 660040500 /nfs/dbraw/zinc/04/05/00/660040500.db2.gz GJHIXPPGJTXDGU-TVQRCGJNSA-N 0 0 303.233 3.258 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1cccc(-c2ccoc2)c1 ZINC000182538143 660061779 /nfs/dbraw/zinc/06/17/79/660061779.db2.gz SBZQEVRFPDJDPA-UHFFFAOYSA-N 0 0 309.321 3.288 20 10 DGCDRN Cc1ccc(C(=O)Nc2cccc(OCCF)c2)c(O)c1O ZINC000182609983 660067092 /nfs/dbraw/zinc/06/70/92/660067092.db2.gz HVPOVXDOGNHUEF-UHFFFAOYSA-N 0 0 305.305 3.007 20 10 DGCDRN O=C(CCc1ccc(O)cc1)NCCCSc1nccs1 ZINC000183771914 660136654 /nfs/dbraw/zinc/13/66/54/660136654.db2.gz CAJHKXISINMJIM-UHFFFAOYSA-N 0 0 322.455 3.080 20 10 DGCDRN COc1cccc2sc(NC(=O)Cc3ccc(N)cc3)nc21 ZINC000071700180 660140114 /nfs/dbraw/zinc/14/01/14/660140114.db2.gz LJZVMAAUHNUOPC-UHFFFAOYSA-N 0 0 313.382 3.068 20 10 DGCDRN Cc1ccnc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000184080457 660154782 /nfs/dbraw/zinc/15/47/82/660154782.db2.gz JUUAZUGKVCSRPT-UHFFFAOYSA-N 0 0 308.385 3.088 20 10 DGCDRN Cc1cccc2ncnc(N[C@@H](C)Cc3ccc(O)c(O)c3)c12 ZINC000184147025 660156519 /nfs/dbraw/zinc/15/65/19/660156519.db2.gz LAEBZYQZTDZFLT-LBPRGKRZSA-N 0 0 309.369 3.393 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1c(F)c(F)nc(F)c1F ZINC000184147528 660156911 /nfs/dbraw/zinc/15/69/11/660156911.db2.gz IFSXCZFEXDHLSR-LURJTMIESA-N 0 0 316.254 3.092 20 10 DGCDRN CCn1ccnc1CN1CCCc2cc(OC(F)F)ccc21 ZINC000076292836 660166782 /nfs/dbraw/zinc/16/67/82/660166782.db2.gz LNOAWDPQUNFVBU-UHFFFAOYSA-N 0 0 307.344 3.457 20 10 DGCDRN CC(C)n1nccc1NC(=O)NCc1cccc(Cl)c1O ZINC000929307477 661295903 /nfs/dbraw/zinc/29/59/03/661295903.db2.gz ZCCVLLDITDRZRS-UHFFFAOYSA-N 0 0 308.769 3.145 20 10 DGCDRN COc1ccc(N(C)C[C@H]2CC[C@H](C(F)(F)F)O2)cc1OC ZINC000929349134 661299970 /nfs/dbraw/zinc/29/99/70/661299970.db2.gz ZYJOHDXZGYZNDH-BXUZGUMPSA-N 0 0 319.323 3.250 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)[C@]23CCO[C@@H]2CCCC3)cc1 ZINC000929533369 661315310 /nfs/dbraw/zinc/31/53/10/661315310.db2.gz SFKLNWWMXLCEJD-IEBWSBKVSA-N 0 0 316.445 3.060 20 10 DGCDRN COc1cc(N(C)Cc2c(F)cncc2F)cc(OC)c1OC ZINC000929707392 661330814 /nfs/dbraw/zinc/33/08/14/661330814.db2.gz LOMMHWGZVRMHEX-UHFFFAOYSA-N 0 0 324.327 3.022 20 10 DGCDRN CC(C)Oc1ncccc1NC(=O)N1Cc2cccc(O)c2C1 ZINC000929762751 661336049 /nfs/dbraw/zinc/33/60/49/661336049.db2.gz MWFMGQUBERWDMO-UHFFFAOYSA-N 0 0 313.357 3.122 20 10 DGCDRN CN(C[C@@H]1C[C@@H]2COC[C@H]2O1)c1ccc(-c2nccs2)cc1 ZINC000930709818 661423474 /nfs/dbraw/zinc/42/34/74/661423474.db2.gz IJDPOEDNKYMSGC-VNQPRFMTSA-N 0 0 316.426 3.050 20 10 DGCDRN C[C@H](NC(=O)C1(C)CC=CC1)c1ccc(N2CCOCC2)cc1 ZINC000930744616 661426687 /nfs/dbraw/zinc/42/66/87/661426687.db2.gz LNONDAOAZCOVKM-HNNXBMFYSA-N 0 0 314.429 3.057 20 10 DGCDRN C[C@H](NC(=O)CCC1(C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000930745196 661426809 /nfs/dbraw/zinc/42/68/09/661426809.db2.gz SRBIWCSXFIFNNW-HNNXBMFYSA-N 0 0 316.445 3.281 20 10 DGCDRN C[C@H](C1CC1)n1cc(NC(=O)N2Cc3cccc(O)c3C2)cn1 ZINC000930977965 661443219 /nfs/dbraw/zinc/44/32/19/661443219.db2.gz NFPUBVXQIXEZJM-LLVKDONJSA-N 0 0 312.373 3.107 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@]12CCO[C@H]1CCCC2 ZINC000932943636 661611127 /nfs/dbraw/zinc/61/11/27/661611127.db2.gz ODHCDZKFNDOISY-HKUYNNGSSA-N 0 0 316.445 3.027 20 10 DGCDRN C[C@H](NC(=O)N[C@@](C)(C1CC1)C(F)(F)F)c1ccccc1O ZINC000933562629 661641040 /nfs/dbraw/zinc/64/10/40/661641040.db2.gz DDVCIDBTRPCTSN-XPTSAGLGSA-N 0 0 316.323 3.483 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccnn1C1CC1 ZINC000934519062 661712565 /nfs/dbraw/zinc/71/25/65/661712565.db2.gz MSSSACQCWIZYKK-UHFFFAOYSA-N 0 0 314.389 3.368 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccnn1C1CCC1 ZINC000934706395 661728179 /nfs/dbraw/zinc/72/81/79/661728179.db2.gz LELCXBKISCOQDU-UHFFFAOYSA-N 0 0 313.401 3.366 20 10 DGCDRN CC1(c2ccccc2C(=O)NCCc2ccc(O)c(O)c2)CC1 ZINC000934939470 661750019 /nfs/dbraw/zinc/75/00/19/661750019.db2.gz SPVWRZMEMVQQGU-UHFFFAOYSA-N 0 0 311.381 3.122 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C[C@@H]2C)c1 ZINC000934940324 661750039 /nfs/dbraw/zinc/75/00/39/661750039.db2.gz LGMPAFBWYCAXMN-MJDBTJCESA-N 0 0 303.402 3.260 20 10 DGCDRN C[C@@H](NC(=O)c1cc(Cl)ncc1F)c1ccc(N(C)C)cc1 ZINC000935463371 661787848 /nfs/dbraw/zinc/78/78/48/661787848.db2.gz IOFXGNSCADXTGZ-SNVBAGLBSA-N 0 0 321.783 3.431 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)COC(F)(F)F ZINC000935854798 661815628 /nfs/dbraw/zinc/81/56/28/661815628.db2.gz HRGVQCXXOAHZPI-UHFFFAOYSA-N 0 0 305.296 3.057 20 10 DGCDRN CC1(C(=O)NCc2cc(Br)ccc2O)CC=CC1 ZINC000935958938 661821169 /nfs/dbraw/zinc/82/11/69/661821169.db2.gz IWVSNLSGLGYVEY-UHFFFAOYSA-N 0 0 310.191 3.127 20 10 DGCDRN Cc1ccc(C(=O)N2CCN(C3CC3)c3ccccc32)c(O)c1O ZINC000187542543 661842012 /nfs/dbraw/zinc/84/20/12/661842012.db2.gz OQBMEHWWVRORSO-UHFFFAOYSA-N 0 0 324.380 3.035 20 10 DGCDRN C[C@H]1C[C@H](C)CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000155673216 661850691 /nfs/dbraw/zinc/85/06/91/661850691.db2.gz UJZGQICQQIJPII-HOTGVXAUSA-N 0 0 313.445 3.250 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC2(C)Cc3ccccc3C2)cc1 ZINC000156198902 661860032 /nfs/dbraw/zinc/86/00/32/661860032.db2.gz GWTGLAJMYOZLDX-UHFFFAOYSA-N 0 0 323.440 3.109 20 10 DGCDRN Cc1nn(C)cc1CN(Cc1ccco1)Cc1ccccc1O ZINC000156411208 661862670 /nfs/dbraw/zinc/86/26/70/661862670.db2.gz XHJCSPHJTRHEJE-UHFFFAOYSA-N 0 0 311.385 3.230 20 10 DGCDRN Cc1cc(C(=O)N(C)Cc2cccn2C)c(C)n1-c1ccccn1 ZINC000158447221 661872374 /nfs/dbraw/zinc/87/23/74/661872374.db2.gz FHQSUPWJIFHOTK-UHFFFAOYSA-N 0 0 322.412 3.100 20 10 DGCDRN CC(C)Cc1nnc(NC(=O)N(C)Cc2ccccc2O)s1 ZINC000047349299 661875680 /nfs/dbraw/zinc/87/56/80/661875680.db2.gz OZHUXHNELGWTDR-UHFFFAOYSA-N 0 0 320.418 3.106 20 10 DGCDRN Cc1cc(C(=O)OC[C@@H]2CC[C@H](C)O2)c(C)n1-c1ccccn1 ZINC000159273020 661884922 /nfs/dbraw/zinc/88/49/22/661884922.db2.gz KEKJNWBKQXLMDO-ZFWWWQNUSA-N 0 0 314.385 3.213 20 10 DGCDRN COc1ccc(O)c(CNC(=O)CCc2cc(C)cc(C)c2)c1 ZINC000159752804 661894827 /nfs/dbraw/zinc/89/48/27/661894827.db2.gz XSCVINVOYIYYGB-UHFFFAOYSA-N 0 0 313.397 3.267 20 10 DGCDRN CCC1=C(C(=O)NCc2c(O)ccc3c2CCCC3)CCCO1 ZINC000189557781 661981721 /nfs/dbraw/zinc/98/17/21/661981721.db2.gz OXFQMMQJLVJLBE-UHFFFAOYSA-N 0 0 315.413 3.362 20 10 DGCDRN COc1cc(O)c(CNc2cnn([C@H](C)C3CC3)c2)cc1OC ZINC000189747947 661989906 /nfs/dbraw/zinc/98/99/06/661989906.db2.gz ISTNCCOAMWXSKI-LLVKDONJSA-N 0 0 317.389 3.189 20 10 DGCDRN COc1ccc(N(C)CC2CCC3(CC2)OCCO3)cc1F ZINC000190276359 662025895 /nfs/dbraw/zinc/02/58/95/662025895.db2.gz CJHAYGCUIRRKJL-UHFFFAOYSA-N 0 0 309.381 3.204 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC=CCC2)cc1 ZINC000077571758 662032293 /nfs/dbraw/zinc/03/22/93/662032293.db2.gz KQLOCMJAWBYCIO-MRXNPFEDSA-N 0 0 301.434 3.441 20 10 DGCDRN C/C=C(\CC)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000190567926 662037005 /nfs/dbraw/zinc/03/70/05/662037005.db2.gz AEBWUFJJUCXLTA-LNKIKWGQSA-N 0 0 302.418 3.137 20 10 DGCDRN CC[C@@H](C)CC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000191039291 662052604 /nfs/dbraw/zinc/05/26/04/662052604.db2.gz PMWZJHFUXZZEPC-CQSZACIVSA-N 0 0 304.434 3.216 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCOCC(F)F)cc1 ZINC000191380372 662062454 /nfs/dbraw/zinc/06/24/54/662062454.db2.gz HAWIKLBPPITBQJ-UHFFFAOYSA-N 0 0 322.355 3.106 20 10 DGCDRN CN(Cc1nccn1-c1ccccc1)c1ccc2c(c1)OCO2 ZINC000191469251 662068132 /nfs/dbraw/zinc/06/81/32/662068132.db2.gz JDTXCPDNJXCBFU-UHFFFAOYSA-N 0 0 307.353 3.237 20 10 DGCDRN C[C@@H](NCc1ccccc1O)c1nc(Cc2ccccc2)no1 ZINC000191593402 662073510 /nfs/dbraw/zinc/07/35/10/662073510.db2.gz QAJDSDNRGYUONK-CYBMUJFWSA-N 0 0 309.369 3.217 20 10 DGCDRN C[C@H](NCc1ccccc1O)c1nc(Cc2ccccc2)no1 ZINC000191593386 662073642 /nfs/dbraw/zinc/07/36/42/662073642.db2.gz QAJDSDNRGYUONK-ZDUSSCGKSA-N 0 0 309.369 3.217 20 10 DGCDRN CCCN1C(=O)C2(CCCCC2)N[C@H]1c1cc(F)ccc1O ZINC000078762655 662084112 /nfs/dbraw/zinc/08/41/12/662084112.db2.gz NTMFBPFYQWYSIR-OAHLLOKOSA-N 0 0 306.381 3.075 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CCc2ccco2)cc1 ZINC000079390020 662109092 /nfs/dbraw/zinc/10/90/92/662109092.db2.gz SEQDSOKSUPQXAK-UHFFFAOYSA-N 0 0 300.402 3.375 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2c(C)noc2C)cc1 ZINC000079391116 662109318 /nfs/dbraw/zinc/10/93/18/662109318.db2.gz HACZXUQGKIHYNI-UHFFFAOYSA-N 0 0 301.390 3.068 20 10 DGCDRN O=C(CC1CCC1)NCc1ccc(N2CCSCC2)cc1 ZINC000079616491 662115721 /nfs/dbraw/zinc/11/57/21/662115721.db2.gz CVXHKDRXZHCFCF-UHFFFAOYSA-N 0 0 304.459 3.046 20 10 DGCDRN C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2cccc(O)c2O)C1 ZINC000193100894 662122680 /nfs/dbraw/zinc/12/26/80/662122680.db2.gz QRRKOBZETMEZLI-XHDPSFHLSA-N 0 0 315.344 3.460 20 10 DGCDRN CC(C)(C)c1cccc(NC(=O)c2cccc(O)c2O)c1O ZINC000193168884 662124835 /nfs/dbraw/zinc/12/48/35/662124835.db2.gz DSTQRGVRRSGTOL-UHFFFAOYSA-N 0 0 301.342 3.353 20 10 DGCDRN COc1cccc(CNC(=O)Nc2cccc(F)c2C)c1O ZINC000081158228 662161882 /nfs/dbraw/zinc/16/18/82/662161882.db2.gz IJNJGDPVXBARGV-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC2CCOCC2)cc1 ZINC000194694822 662171638 /nfs/dbraw/zinc/17/16/38/662171638.db2.gz WWNPWVJPBCPIOS-UHFFFAOYSA-N 0 0 312.413 3.251 20 10 DGCDRN COC(=O)CCC(=O)CSc1ncc(C(C)(C)C)s1 ZINC000195442789 662189590 /nfs/dbraw/zinc/18/95/90/662189590.db2.gz AVNZJGYESHJSOQ-UHFFFAOYSA-N 0 0 301.433 3.055 20 10 DGCDRN O=[N+]([O-])c1cnc(Sc2nnc(-c3ccccc3)o2)s1 ZINC000195506255 662191117 /nfs/dbraw/zinc/19/11/17/662191117.db2.gz HTVQOBHKARTUEY-UHFFFAOYSA-N 0 0 306.328 3.253 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CCC(C)CC2)cc1 ZINC000195565029 662191700 /nfs/dbraw/zinc/19/17/00/662191700.db2.gz PSRYXGLUWAIYKB-UHFFFAOYSA-N 0 0 303.450 3.474 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cccc3c2CCC3)cc1F ZINC000195738801 662193387 /nfs/dbraw/zinc/19/33/87/662193387.db2.gz JMEMFTAPWZXQLL-UHFFFAOYSA-N 0 0 312.388 3.310 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Cc1ccc(F)cc1F ZINC000087299389 662224998 /nfs/dbraw/zinc/22/49/98/662224998.db2.gz DINQGHLIOGMNLO-UHFFFAOYSA-N 0 0 318.367 3.198 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2c[nH]c3cccc(F)c23)cc1 ZINC000090089768 662253310 /nfs/dbraw/zinc/25/33/10/662253310.db2.gz GGZPVPKCGWVJQL-UHFFFAOYSA-N 0 0 311.360 3.303 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCCc3ccccc32)cc1 ZINC000248074418 662333562 /nfs/dbraw/zinc/33/35/62/662333562.db2.gz BPVQTQNHQHJLEG-IBGZPJMESA-N 0 0 308.425 3.489 20 10 DGCDRN CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000092706219 662334366 /nfs/dbraw/zinc/33/43/66/662334366.db2.gz UPOAUSUDXVISAG-ZDUSSCGKSA-N 0 0 324.852 3.030 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)cc1F ZINC000248326342 662342187 /nfs/dbraw/zinc/34/21/87/662342187.db2.gz BWTNHWSAYQFOTI-HALDLXJZSA-N 0 0 304.409 3.334 20 10 DGCDRN COC(=O)CN(Cc1ccc(C)o1)Cc1cc(Cl)ccc1O ZINC000093277060 662350384 /nfs/dbraw/zinc/35/03/84/662350384.db2.gz YRWKOLFCNMUOCA-UHFFFAOYSA-N 0 0 323.776 3.122 20 10 DGCDRN CCN(CC(F)F)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897380874 685309946 /nfs/dbraw/zinc/30/99/46/685309946.db2.gz NQJPQLGWRAOLFW-UHFFFAOYSA-N 0 0 301.314 3.040 20 10 DGCDRN CON(C(=O)c1cc2cc(O)c(O)cc2s1)C1CCCC1 ZINC000897382285 685310143 /nfs/dbraw/zinc/31/01/43/685310143.db2.gz FHZOOSXMKANIOZ-UHFFFAOYSA-N 0 0 307.371 3.259 20 10 DGCDRN CCOc1cccc(CN[C@@H](C)c2nc(C(C)(C)C)no2)c1O ZINC000174662915 685106464 /nfs/dbraw/zinc/10/64/64/685106464.db2.gz WILKPEFQJKEELE-NSHDSACASA-N 0 0 319.405 3.322 20 10 DGCDRN CC(C)SCC[NH2+]Cc1cccc(Br)c1[O-] ZINC000380778342 685153711 /nfs/dbraw/zinc/15/37/11/685153711.db2.gz BETCYKRQSMKJIR-UHFFFAOYSA-N 0 0 304.253 3.386 20 10 DGCDRN CC[C@@H](C)[C@@H](C[NH2+]Cc1cc(Br)ccc1O)OC ZINC000381108877 685154966 /nfs/dbraw/zinc/15/49/66/685154966.db2.gz BROLTOHIIKVSPT-QMTHXVAHSA-N 0 0 316.239 3.305 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CC[C@@H](C(F)(F)F)C2)c1O ZINC000385827272 685174587 /nfs/dbraw/zinc/17/45/87/685174587.db2.gz ZFSADMWYKZUIIY-SNVBAGLBSA-N 0 0 305.271 3.118 20 10 DGCDRN Nc1ccc(NC(=O)COc2ccccc2C(F)(F)F)cc1 ZINC000386380419 685178227 /nfs/dbraw/zinc/17/82/27/685178227.db2.gz IAXDDSCGYBYMQD-UHFFFAOYSA-N 0 0 310.275 3.305 20 10 DGCDRN CO[C@@H]([C@@H](C)[NH2+]Cc1cccc(Br)c1[O-])C1CC1 ZINC000388204392 685188125 /nfs/dbraw/zinc/18/81/25/685188125.db2.gz CPNVWVHNSULXRF-OTYXRUKQSA-N 0 0 314.223 3.058 20 10 DGCDRN Cn1cc(Cl)c(CNCc2ccc(N3CCCCC3)cc2)n1 ZINC000393405276 685217507 /nfs/dbraw/zinc/21/75/07/685217507.db2.gz IAAWBOJAOFGYFR-UHFFFAOYSA-N 0 0 318.852 3.354 20 10 DGCDRN C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)cc1 ZINC001620779992 1191861825 /nfs/dbraw/zinc/86/18/25/1191861825.db2.gz VTAMGSFFNCMMKL-NSHDSACASA-N 0 0 304.321 3.333 20 10 DGCDRN CN(C)c1cc(C(=O)Oc2ccc(N)cc2)nc2ccccc21 ZINC001578422673 1191942843 /nfs/dbraw/zinc/94/28/43/1191942843.db2.gz DKNUOZBDTISKMN-UHFFFAOYSA-N 0 0 307.353 3.102 20 10 DGCDRN CCOc1ccc(N(CCN2CCOC[C@H]2C)CC2CC2)cc1 ZINC001620499552 1191951544 /nfs/dbraw/zinc/95/15/44/1191951544.db2.gz VELXJGMADUQKPY-MRXNPFEDSA-N 0 0 318.461 3.022 20 10 DGCDRN COc1cccc(-c2noc([C@H](C)NCc3ccc(N)cc3)n2)c1 ZINC001579255363 1191970561 /nfs/dbraw/zinc/97/05/61/1191970561.db2.gz SYPOXSCKCHCBGO-LBPRGKRZSA-N 0 0 324.384 3.178 20 10 DGCDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccc(N)cc1 ZINC001579577144 1191980346 /nfs/dbraw/zinc/98/03/46/1191980346.db2.gz JAMJJCMWNGGQDK-UHFFFAOYSA-N 0 0 314.345 3.116 20 10 DGCDRN Nc1ccc(CCNC(=O)c2cc(Cl)nc(C3CC3)c2)cc1 ZINC001580443614 1192027126 /nfs/dbraw/zinc/02/71/26/1192027126.db2.gz SVTWKUIYTNLSIT-UHFFFAOYSA-N 0 0 315.804 3.167 20 10 DGCDRN COc1c[nH]nc1NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001583262509 1192139797 /nfs/dbraw/zinc/13/97/97/1192139797.db2.gz OSKPGERTYUWZFV-UHFFFAOYSA-N 0 0 324.384 3.007 20 10 DGCDRN Cc1ccccc1[C@@H]1C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001583739169 1192158520 /nfs/dbraw/zinc/15/85/20/1192158520.db2.gz NLJFYCCFMXGYNE-JKSUJKDBSA-N 0 0 322.368 3.443 20 10 DGCDRN CCCCCc1cc(C(=O)NCc2cc(Cl)ccc2O)[nH]n1 ZINC001583821265 1192161809 /nfs/dbraw/zinc/16/18/09/1192161809.db2.gz XNFIUEJOXFMSQK-UHFFFAOYSA-N 0 0 321.808 3.431 20 10 DGCDRN CCn1ncc(C)c1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001583982371 1192171374 /nfs/dbraw/zinc/17/13/74/1192171374.db2.gz XQQYLQQXAQGFMR-UHFFFAOYSA-N 0 0 317.370 3.090 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)C[C@H](O)c2ccc(Cl)cc2)c1 ZINC001584983130 1192234518 /nfs/dbraw/zinc/23/45/18/1192234518.db2.gz FJSKLQMAKIAOCA-INIZCTEOSA-N 0 0 319.788 3.094 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(Cl)cc1N ZINC001585787876 1192281977 /nfs/dbraw/zinc/28/19/77/1192281977.db2.gz PBJQDEFXMAYDSQ-UHFFFAOYSA-N 0 0 317.820 3.227 20 10 DGCDRN COC1CN(C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1 ZINC001586091822 1192308275 /nfs/dbraw/zinc/30/82/75/1192308275.db2.gz ZBCGTIRKFQHONZ-UHFFFAOYSA-N 0 0 312.413 3.182 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)C[C@@H]2C[C@H]2C2CC2)cc1 ZINC001586649165 1192341229 /nfs/dbraw/zinc/34/12/29/1192341229.db2.gz IXQWDONIPDCTBP-YJBOKZPZSA-N 0 0 316.445 3.026 20 10 DGCDRN CCO[C@H]1C[C@H](NC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001586808714 1192351295 /nfs/dbraw/zinc/35/12/95/1192351295.db2.gz ULZXPNGFQXNMKX-SAABIXHNSA-N 0 0 312.413 3.391 20 10 DGCDRN C[C@H](NC(=O)c1occc1Br)c1ccccc1O ZINC001587451552 1192400986 /nfs/dbraw/zinc/40/09/86/1192400986.db2.gz ZJIYGUGPDQZLQM-QMMMGPOBSA-N 0 0 310.147 3.239 20 10 DGCDRN O=C(c1ocnc1-c1ccccc1)N1Cc2cccc(O)c2C1 ZINC001587928441 1192425693 /nfs/dbraw/zinc/42/56/93/1192425693.db2.gz OBJUYEQSKJHBEJ-UHFFFAOYSA-N 0 0 306.321 3.203 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cccc(C(F)(F)F)c1N ZINC001588156214 1192435881 /nfs/dbraw/zinc/43/58/81/1192435881.db2.gz PWNMBCGCXHRVTN-UHFFFAOYSA-N 0 0 324.302 3.265 20 10 DGCDRN C[C@H](Nc1cccc(C2CC2)n1)c1cccc(-c2nn[nH]n2)c1O ZINC001589983985 1192481359 /nfs/dbraw/zinc/48/13/59/1192481359.db2.gz IGWQEVWMMVGSHK-JTQLQIEISA-N 0 0 322.372 3.018 20 10 DGCDRN C[C@@H](C(=O)NCc1cccc(O)c1O)c1ccc(Cl)s1 ZINC001593739725 1192640221 /nfs/dbraw/zinc/64/02/21/1192640221.db2.gz UKUWIYPLKOKTAF-MRVPVSSYSA-N 0 0 311.790 3.233 20 10 DGCDRN C[C@H](CSc1ccccc1)C(=O)NCc1cccc(O)c1O ZINC001593739546 1192640311 /nfs/dbraw/zinc/64/03/11/1192640311.db2.gz PVUMHJAJKSIBDC-GFCCVEGCSA-N 0 0 317.410 3.142 20 10 DGCDRN CCSCc1ccccc1C(=O)NCc1cccc(O)c1O ZINC001593738874 1192640420 /nfs/dbraw/zinc/64/04/20/1192640420.db2.gz BFMSNTUGNYUKIG-UHFFFAOYSA-N 0 0 317.410 3.281 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CC[C@@H]2C)ccc1C ZINC001594780986 1192648667 /nfs/dbraw/zinc/64/86/67/1192648667.db2.gz WAMJRTVXFRJBAG-ZDUSSCGKSA-N 0 0 310.397 3.449 20 10 DGCDRN Cn1cnc(/C=C\C(=O)N2CC(C)(C)c3cc(Cl)ccc32)c1 ZINC001596344232 1192690987 /nfs/dbraw/zinc/69/09/87/1192690987.db2.gz HEQNXWZSPZVITL-ALCCZGGFSA-N 0 0 315.804 3.411 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001596911010 1192710107 /nfs/dbraw/zinc/71/01/07/1192710107.db2.gz CIFWHPLMMGRSAC-WDEREUQCSA-N 0 0 321.298 3.229 20 10 DGCDRN CC[C@@H](C(=O)NCc1c(O)cccc1F)c1ccc(F)cc1 ZINC001596912707 1192710458 /nfs/dbraw/zinc/71/04/58/1192710458.db2.gz QVOLGQYBUMRJFB-CYBMUJFWSA-N 0 0 305.324 3.480 20 10 DGCDRN CNC(=O)c1ccc(NCc2c(O)cccc2Cl)c(C)c1 ZINC000127294951 1176315755 /nfs/dbraw/zinc/31/57/55/1176315755.db2.gz JQAJJPNQUYMDCO-UHFFFAOYSA-N 0 0 304.777 3.326 20 10 DGCDRN Cc1ccc2c(CCC(=O)NCc3c(O)cccc3O)c[nH]c2c1 ZINC001597573796 1192738606 /nfs/dbraw/zinc/73/86/06/1192738606.db2.gz HBKHGSPGTDBLAI-UHFFFAOYSA-N 0 0 324.380 3.137 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H](C)C[C@@H](C)O ZINC001597435509 1192733453 /nfs/dbraw/zinc/73/34/53/1192733453.db2.gz LPTNDPUNQMSGSA-CZUORRHYSA-N 0 0 314.429 3.292 20 10 DGCDRN Cc1cc(CC(=O)N(C)CCCF)c(C)n1-c1ccccc1 ZINC001598224936 1192767274 /nfs/dbraw/zinc/76/72/74/1192767274.db2.gz IQJNTPSJKVHMLX-UHFFFAOYSA-N 0 0 302.393 3.455 20 10 DGCDRN C[C@]1(CNC(=O)c2cccc(O)c2O)CCCc2ccccc21 ZINC001598439035 1192774607 /nfs/dbraw/zinc/77/46/07/1192774607.db2.gz BCOHGIYOFGDRMF-LJQANCHMSA-N 0 0 311.381 3.122 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(O)cc1C ZINC000129967643 1177332474 /nfs/dbraw/zinc/33/24/74/1177332474.db2.gz DVCOWDKVCOLPHJ-UHFFFAOYSA-N 0 0 312.413 3.429 20 10 DGCDRN COCc1cc(N(C)Cc2ccccc2O)nc(C(C)(C)C)n1 ZINC000089635735 1177887665 /nfs/dbraw/zinc/88/76/65/1177887665.db2.gz OEVRTXQAYGEFOG-UHFFFAOYSA-N 0 0 315.417 3.263 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NCC2(CC3CC3)CC2)cc1 ZINC001254787632 1178081093 /nfs/dbraw/zinc/08/10/93/1178081093.db2.gz TXVKJPVYFWMSRY-UHFFFAOYSA-N 0 0 315.461 3.474 20 10 DGCDRN Cc1cnn(CC2CC2)c1NC(=O)N[C@H](C)c1ccccc1O ZINC001331112010 1178136639 /nfs/dbraw/zinc/13/66/39/1178136639.db2.gz YDJVUZLKVLGZFA-GFCCVEGCSA-N 0 0 314.389 3.190 20 10 DGCDRN CCOc1ccc2c(c1)CN(C(=O)Nc1ccc(N)cc1)CC2 ZINC001331433802 1178212632 /nfs/dbraw/zinc/21/26/32/1178212632.db2.gz USYLLPQUSAZSJH-UHFFFAOYSA-N 0 0 311.385 3.258 20 10 DGCDRN Cc1cccc(C[NH2+][C@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])c1O ZINC001600532643 1192869191 /nfs/dbraw/zinc/86/91/91/1192869191.db2.gz XNASOUTWKKAUJR-RHSMWYFYSA-N 0 0 313.397 3.122 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H]2CC[C@@H]2C)cc1 ZINC001331730039 1178275030 /nfs/dbraw/zinc/27/50/30/1178275030.db2.gz IHAJKSDPJGJLHN-DJJJIMSYSA-N 0 0 324.424 3.364 20 10 DGCDRN COC(=O)CN(CC1=CCCC1)Cc1cc(Cl)ccc1O ZINC001642072273 1194886447 /nfs/dbraw/zinc/88/64/47/1194886447.db2.gz XLEXIUQEYPGNLB-UHFFFAOYSA-N 0 0 309.793 3.131 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC2CC(=O)C2)c1 ZINC001333284355 1178582216 /nfs/dbraw/zinc/58/22/16/1178582216.db2.gz IQNVCXWCLRTLTC-UHFFFAOYSA-N 0 0 316.788 3.209 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)CC1(C(F)(F)F)CC1 ZINC001333470048 1178610526 /nfs/dbraw/zinc/61/05/26/1178610526.db2.gz GPMFJQQNNLTMDU-UHFFFAOYSA-N 0 0 322.323 3.227 20 10 DGCDRN CCN(CC)c1ccc(CNc2cccc(F)c2C(N)=O)cc1 ZINC001333679584 1178651735 /nfs/dbraw/zinc/65/17/35/1178651735.db2.gz UGTGADYRVXIRAZ-UHFFFAOYSA-N 0 0 315.392 3.383 20 10 DGCDRN Nc1ccc(Cc2noc([C@@H]3CC[C@@H]4[C@H](C3)C4(F)F)n2)cc1 ZINC001333767103 1178670163 /nfs/dbraw/zinc/67/01/63/1178670163.db2.gz RPAPSGVPQSDXPA-RTXFEEFZSA-N 0 0 305.328 3.391 20 10 DGCDRN CC1(C)CCC[C@@](O)(C[NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC001621031096 1192915006 /nfs/dbraw/zinc/91/50/06/1192915006.db2.gz FENUCBARXTXFRD-KRWDZBQOSA-N 0 0 313.388 3.481 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC2CC=CC2)c1 ZINC001335168009 1178864698 /nfs/dbraw/zinc/86/46/98/1178864698.db2.gz DPEYXCAWBXBRPR-UHFFFAOYSA-N 0 0 308.381 3.355 20 10 DGCDRN CC[C@H](CCc1ccccc1)NC(=O)NCc1ccc(N)cc1 ZINC001335588252 1178933408 /nfs/dbraw/zinc/93/34/08/1178933408.db2.gz GJZMESFNKBWRHL-GOSISDBHSA-N 0 0 311.429 3.479 20 10 DGCDRN Nc1ccc(CNC(=O)N2CC[C@H](c3ccccc3F)C2)cc1 ZINC001335737257 1178946806 /nfs/dbraw/zinc/94/68/06/1178946806.db2.gz NRBZRQMQEDJODX-AWEZNQCLSA-N 0 0 313.376 3.107 20 10 DGCDRN Nc1ccc(CC[NH2+][C@H]2CCC[C@@H](CCCC(=O)[O-])C2)cc1 ZINC001601216367 1192922473 /nfs/dbraw/zinc/92/24/73/1192922473.db2.gz YEYJHNMHWNHNDR-RDJZCZTQSA-N 0 0 304.434 3.215 20 10 DGCDRN Nc1ccc(CC(=O)N[C@H]2C[C@H](c3ccc(F)cc3F)C2)cc1 ZINC001341511846 1179020042 /nfs/dbraw/zinc/02/00/42/1179020042.db2.gz KSROHASXGSDBCI-NNUKFRKNSA-N 0 0 316.351 3.152 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1C[C@H](C)[C@@H](C)[C@H]1C ZINC001342569385 1179155051 /nfs/dbraw/zinc/15/50/51/1179155051.db2.gz MEELZKOCGUVNCA-HBNTYKKESA-N 0 0 306.435 3.213 20 10 DGCDRN O=C(CC[C@@H]1CCCCO1)Nc1c2nonc2ccc1Cl ZINC001342949442 1179214762 /nfs/dbraw/zinc/21/47/62/1179214762.db2.gz BYLXCZCAZYKERX-VIFPVBQESA-N 0 0 309.753 3.164 20 10 DGCDRN CC[C@H](c1cccc(OC)c1)N(C)C(=O)Cc1ccc(N)cc1 ZINC001343521773 1179290621 /nfs/dbraw/zinc/29/06/21/1179290621.db2.gz CNFAMTCKQGUIOR-GOSISDBHSA-N 0 0 312.413 3.430 20 10 DGCDRN CC(C)(CCNC(=O)NCc1ccc(N)cc1)c1ccccc1 ZINC001346223817 1179673070 /nfs/dbraw/zinc/67/30/70/1179673070.db2.gz ACJPQVBIAVCBCK-UHFFFAOYSA-N 0 0 311.429 3.436 20 10 DGCDRN Cc1ccc2c(c1)[C@H](NC(=O)NCc1ccc(N)cc1)CCC2 ZINC001346440045 1179702268 /nfs/dbraw/zinc/70/22/68/1179702268.db2.gz GGJNUJNRSYWZDA-GOSISDBHSA-N 0 0 309.413 3.454 20 10 DGCDRN CC[C@@H]1Cc2ccccc2CN1C(=O)NCc1ccc(N)cc1 ZINC001346739106 1179741318 /nfs/dbraw/zinc/74/13/18/1179741318.db2.gz NIZMQNSZOIGNKS-GOSISDBHSA-N 0 0 309.413 3.315 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1[N+](=O)[O-] ZINC001621054972 1192978627 /nfs/dbraw/zinc/97/86/27/1192978627.db2.gz AYADMCFTHDDKOT-SNVBAGLBSA-N 0 0 317.301 3.059 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)[C@@H]1Cc2ccc(F)cc21 ZINC001346941677 1179763534 /nfs/dbraw/zinc/76/35/34/1179763534.db2.gz WMHWTCBHOOLRRK-SNVBAGLBSA-N 0 0 317.707 3.294 20 10 DGCDRN C[C@@H]1CCCN1c1nnc(C2SC=CC2=O)n1CC1CC1 ZINC001346978078 1179765958 /nfs/dbraw/zinc/76/59/58/1179765958.db2.gz YYILFZWGNBFMNP-SNVBAGLBSA-N 0 0 304.419 3.111 20 10 DGCDRN Cc1cc(C(=O)OCc2cnn(C)c2)c(C)n1-c1ccccc1C ZINC001347064474 1179773755 /nfs/dbraw/zinc/77/37/55/1179773755.db2.gz ZDKJTUWIWVCTKZ-UHFFFAOYSA-N 0 0 323.396 3.493 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCc3c2cccc3F)c1 ZINC001349908592 1179974605 /nfs/dbraw/zinc/97/46/05/1179974605.db2.gz YSRZVPKYVSABCO-MRXNPFEDSA-N 0 0 314.360 3.326 20 10 DGCDRN CC1(C)CCC[C@@H](COC(=O)/C=C/c2ccc(O)c(O)c2)O1 ZINC001349982643 1179991767 /nfs/dbraw/zinc/99/17/67/1179991767.db2.gz NHAOUERIYBCEBF-CFNZNRNTSA-N 0 0 306.358 3.002 20 10 DGCDRN OC[C@H]1Cc2ccccc2N1Cc1ccc(N2CCCC2)cc1 ZINC001350282495 1180044164 /nfs/dbraw/zinc/04/41/64/1180044164.db2.gz JCFNONSVRBPMJH-LJQANCHMSA-N 0 0 308.425 3.210 20 10 DGCDRN c1csc(SCCCNc2ncnc3scnc32)n1 ZINC001350464744 1180076177 /nfs/dbraw/zinc/07/61/77/1180076177.db2.gz DUBPXAXWGXHKJN-UHFFFAOYSA-N 0 0 309.445 3.137 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cccc3scnc32)cc1 ZINC001351266113 1180193575 /nfs/dbraw/zinc/19/35/75/1180193575.db2.gz PNMPTYCVFPFESQ-UHFFFAOYSA-N 0 0 311.410 3.292 20 10 DGCDRN Cc1ncc(/C=C/C(=O)Nc2c3nonc3ccc2Cl)s1 ZINC001352345014 1180323093 /nfs/dbraw/zinc/32/30/93/1180323093.db2.gz MUGSOMACFFCZFZ-GORDUTHDSA-N 0 0 320.761 3.293 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CSC1CC1 ZINC001352615656 1180370037 /nfs/dbraw/zinc/37/00/37/1180370037.db2.gz SASHOYWCXJRKDR-UHFFFAOYSA-N 0 0 304.459 3.141 20 10 DGCDRN COC[C@@H](C)[C@H](C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001352616035 1180370577 /nfs/dbraw/zinc/37/05/77/1180370577.db2.gz WLSBHNUUIDOGRM-CVEARBPZSA-N 0 0 318.461 3.164 20 10 DGCDRN CCC1(C(=O)NCc2cccc(O)c2O)CCC(F)(F)CC1 ZINC001352670206 1180376930 /nfs/dbraw/zinc/37/69/30/1180376930.db2.gz MSWNKVVNCDBGOC-UHFFFAOYSA-N 0 0 313.344 3.320 20 10 DGCDRN CC[C@@H](C)CNC(=S)NCc1ccc(N2CCCC2)cc1 ZINC001200265221 1180493824 /nfs/dbraw/zinc/49/38/24/1180493824.db2.gz LUPHXDYGKJKYLH-CQSZACIVSA-N 0 0 305.491 3.297 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@]2(C)CCC[C@H]2C)cc1 ZINC001300279570 1180543374 /nfs/dbraw/zinc/54/33/74/1180543374.db2.gz HXVYTCMQEQNTLG-BEFAXECRSA-N 0 0 318.461 3.416 20 10 DGCDRN CC[C@H]1c2ccccc2CN1C(=O)NCCc1ccc(N)cc1 ZINC001353426144 1180556942 /nfs/dbraw/zinc/55/69/42/1180556942.db2.gz VWUCJGWCPDPGIW-SFHVURJKSA-N 0 0 309.413 3.488 20 10 DGCDRN CO[C@H](C(=O)NCc1cc(Cl)ccc1O)c1ccc(F)cc1 ZINC001300396610 1180638895 /nfs/dbraw/zinc/63/88/95/1180638895.db2.gz ZXNXIBXXKRGOPY-HNNXBMFYSA-N 0 0 323.751 3.189 20 10 DGCDRN Cc1nc2ccc(C(=O)NCc3cc(Cl)ccc3O)cc2o1 ZINC001300396608 1180639256 /nfs/dbraw/zinc/63/92/56/1180639256.db2.gz ZWTMLNAVNQOCJH-UHFFFAOYSA-N 0 0 316.744 3.425 20 10 DGCDRN CCO[C@H](C(=O)NCc1cc(Cl)ccc1O)C1CCCC1 ZINC001300396338 1180639409 /nfs/dbraw/zinc/63/94/09/1180639409.db2.gz OQJBEMOBTQTWFO-HNNXBMFYSA-N 0 0 311.809 3.257 20 10 DGCDRN CC[C@H](C)NC(=S)NCc1cc(Cl)c2cccnc2c1O ZINC001200492141 1180678954 /nfs/dbraw/zinc/67/89/54/1180678954.db2.gz GXSWQXADOGCETQ-VIFPVBQESA-N 0 0 323.849 3.356 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(Cl)ncc2C)c1 ZINC001355301903 1181032248 /nfs/dbraw/zinc/03/22/48/1181032248.db2.gz NPIUIRAJNBEJHP-JTQLQIEISA-N 0 0 320.776 3.249 20 10 DGCDRN C/C=C\C[C@H]1CCCN(c2nnc(C3SC=CC3=O)n2C)C1 ZINC001355345530 1181041071 /nfs/dbraw/zinc/04/10/71/1181041071.db2.gz XGTSZENADJHBJT-MVZIDQBPSA-N 0 0 318.446 3.432 20 10 DGCDRN CCO[C@H](CC)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001356256102 1181165299 /nfs/dbraw/zinc/16/52/99/1181165299.db2.gz OFSDHCDIYOFGMC-QGZVFWFLSA-N 0 0 304.434 3.060 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H]2C2CCCC2)cc1F ZINC001434913431 1181778478 /nfs/dbraw/zinc/77/84/78/1181778478.db2.gz AIYOPOLTWQIVGV-HUUCEWRRSA-N 0 0 304.409 3.334 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)C[C@H]2CC=CCC2)cc1 ZINC001437378528 1181932114 /nfs/dbraw/zinc/93/21/14/1181932114.db2.gz GYUWCVRLDIGWAC-INIZCTEOSA-N 0 0 316.445 3.336 20 10 DGCDRN Cc1cc(CNC(=O)c2coc(C)n2)c(C)n1-c1ccccc1 ZINC001438301462 1181966621 /nfs/dbraw/zinc/96/66/21/1181966621.db2.gz LEWXOFDWJIHMRG-UHFFFAOYSA-N 0 0 309.369 3.321 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCC=CO2)cc1 ZINC001440675451 1182045950 /nfs/dbraw/zinc/04/59/50/1182045950.db2.gz RVSTZEXCMXGDFW-QGZVFWFLSA-N 0 0 302.418 3.184 20 10 DGCDRN Cc1cc(CC(=O)N2CCSCC2)c(C)n1-c1ccccc1 ZINC001441592512 1182066681 /nfs/dbraw/zinc/06/66/81/1182066681.db2.gz NPNNIQINFDHIBT-UHFFFAOYSA-N 0 0 314.454 3.212 20 10 DGCDRN CC[C@@H](NC(=O)c1ccc(C)c(O)c1O)c1ccc(F)cc1 ZINC001446660500 1182174444 /nfs/dbraw/zinc/17/44/44/1182174444.db2.gz UDRWXPQNSANQOP-CQSZACIVSA-N 0 0 303.333 3.426 20 10 DGCDRN COc1ccc(CNC(=O)c2coc3c2cccc3C)c(O)c1 ZINC001448376209 1182205486 /nfs/dbraw/zinc/20/54/86/1182205486.db2.gz VJYRFVPYDXSDAP-UHFFFAOYSA-N 0 0 311.337 3.385 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)NCc1cc2ccccc2s1 ZINC001450200133 1182244784 /nfs/dbraw/zinc/24/47/84/1182244784.db2.gz ROHDZIGVHDGWAB-UHFFFAOYSA-N 0 0 313.378 3.171 20 10 DGCDRN CC[C@@H]1CCCC[C@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001450416436 1182249280 /nfs/dbraw/zinc/24/92/80/1182249280.db2.gz ULCMPXCTXFXOEE-SUMGSTKGSA-N 0 0 303.402 3.444 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CC2CCC1CC2 ZINC001452140655 1182282971 /nfs/dbraw/zinc/28/29/71/1182282971.db2.gz NGOWPJWSXRCHMX-SOVZOBSRSA-N 0 0 301.386 3.054 20 10 DGCDRN C[C@@H](OCc1ccccc1)C(=O)NCc1cc(Cl)ccc1O ZINC001452948662 1182305605 /nfs/dbraw/zinc/30/56/05/1182305605.db2.gz YONXFRNKZNSOFC-GFCCVEGCSA-N 0 0 319.788 3.267 20 10 DGCDRN CO/C(=C/c1ccccc1)C(=O)NCc1cc(Cl)ccc1O ZINC001452934731 1182305887 /nfs/dbraw/zinc/30/58/87/1182305887.db2.gz DCNQJEISRLUDIK-CXUHLZMHSA-N 0 0 317.772 3.349 20 10 DGCDRN Cc1ccc(C(=O)N[C@H](C)c2ccccc2O)c(N)c1Cl ZINC001454807163 1182353390 /nfs/dbraw/zinc/35/33/90/1182353390.db2.gz QJIPSXFEFNJHOA-SNVBAGLBSA-N 0 0 304.777 3.427 20 10 DGCDRN CC[N@@H+](Cc1c(O)c(C(=O)[O-])cc2ccccc21)C[C@H](C)OC ZINC001605454448 1193152080 /nfs/dbraw/zinc/15/20/80/1193152080.db2.gz PSEPRPSLKMEVHL-LBPRGKRZSA-N 0 0 317.385 3.100 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cncc(C(F)F)c1 ZINC001455007150 1182356742 /nfs/dbraw/zinc/35/67/42/1182356742.db2.gz SLZTZCGTMJFPOR-DUXPYHPUSA-N 0 0 306.268 3.082 20 10 DGCDRN O=C(c1scnc1C(F)(F)F)N1Cc2cccc(O)c2C1 ZINC001455036058 1182358683 /nfs/dbraw/zinc/35/86/83/1182358683.db2.gz DTKUSPALJIMTOC-UHFFFAOYSA-N 0 0 314.288 3.024 20 10 DGCDRN CC[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC001546074458 1182377050 /nfs/dbraw/zinc/37/70/50/1182377050.db2.gz RFOJAHRAWIDMNR-AWEZNQCLSA-N 0 0 303.333 3.047 20 10 DGCDRN O=C(CCc1nccs1)NCc1c(O)ccc2ccccc21 ZINC001456310755 1182409727 /nfs/dbraw/zinc/40/97/27/1182409727.db2.gz MISDAHBIESLEBA-UHFFFAOYSA-N 0 0 312.394 3.251 20 10 DGCDRN C[C@H](O)CCNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001458496936 1182531537 /nfs/dbraw/zinc/53/15/37/1182531537.db2.gz AFVPKYHIUVTXLF-LBPRGKRZSA-N 0 0 314.341 3.009 20 10 DGCDRN COC(=O)c1cnc(SCc2ccc(OC)c(F)c2)s1 ZINC001459105935 1182567877 /nfs/dbraw/zinc/56/78/77/1182567877.db2.gz OJINKVWONCPKKA-UHFFFAOYSA-N 0 0 313.375 3.370 20 10 DGCDRN C[C@H](Cc1ccco1)C(=O)Nc1c2nonc2ccc1Cl ZINC001459789524 1182616528 /nfs/dbraw/zinc/61/65/28/1182616528.db2.gz RUBWLJQLLPAHSK-MRVPVSSYSA-N 0 0 305.721 3.287 20 10 DGCDRN CO[C@@H](CN1CCOc2cc(N(C)C)ccc21)C1CCCC1 ZINC001459875603 1182625020 /nfs/dbraw/zinc/62/50/20/1182625020.db2.gz MGMRMXHZYOOJGJ-SFHVURJKSA-N 0 0 304.434 3.157 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1O ZINC001460640920 1182703408 /nfs/dbraw/zinc/70/34/08/1182703408.db2.gz VOXHKOKRLCAPDM-SNVBAGLBSA-N 0 0 317.301 3.059 20 10 DGCDRN CC[C@@H](CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C)OC ZINC001460656730 1182704631 /nfs/dbraw/zinc/70/46/31/1182704631.db2.gz VOUPDAFJPCAERY-SFHVURJKSA-N 0 0 314.429 3.178 20 10 DGCDRN Cn1cnnc1-c1cccc(NCc2cc(F)cc(F)c2O)c1 ZINC001461081611 1182765323 /nfs/dbraw/zinc/76/53/23/1182765323.db2.gz GDJZLHHTUDLFCD-UHFFFAOYSA-N 0 0 316.311 3.078 20 10 DGCDRN CC[C@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C ZINC001461591528 1182832525 /nfs/dbraw/zinc/83/25/25/1182832525.db2.gz BFRCOEWNXXTJFK-IJDCCNJMSA-N 0 0 318.461 3.476 20 10 DGCDRN CCc1cccc(CN2CCOc3cc(N(C)C)ccc32)c1O ZINC001462053676 1182902511 /nfs/dbraw/zinc/90/25/11/1182902511.db2.gz XRLUPBOCJYTVER-UHFFFAOYSA-N 0 0 312.413 3.420 20 10 DGCDRN CN(C)c1ccc(C[NH2+]Cc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC001606055118 1193188486 /nfs/dbraw/zinc/18/84/86/1193188486.db2.gz BPCRRMAMLQNLHN-UHFFFAOYSA-N 0 0 318.804 3.394 20 10 DGCDRN CC[C@@H]1CN(Cc2cc(C(C)C)ccc2O)C[C@@H](C)[S@]1=O ZINC001462218844 1182925503 /nfs/dbraw/zinc/92/55/03/1182925503.db2.gz HQWBGUAQKYGPLS-NZCGUCNHSA-N 0 0 309.475 3.247 20 10 DGCDRN COc1ccc(O)c(CNc2ccc(-c3cnn(C)c3)c(C)n2)c1 ZINC001462266509 1182931587 /nfs/dbraw/zinc/93/15/87/1182931587.db2.gz PETRMGJMXXNTDG-UHFFFAOYSA-N 0 0 324.384 3.117 20 10 DGCDRN COC(=O)/C=C\c1ccc(CN(C)c2ccc(OC)cc2)o1 ZINC001462410183 1182948954 /nfs/dbraw/zinc/94/89/54/1182948954.db2.gz JBQMOHWOKWIQRV-KHPPLWFESA-N 0 0 301.342 3.111 20 10 DGCDRN CCCOCCOC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC001462774020 1182993503 /nfs/dbraw/zinc/99/35/03/1182993503.db2.gz AEUNIEWQGMYKPA-UHFFFAOYSA-N 0 0 308.422 3.138 20 10 DGCDRN Cc1ccc(/C=C/C(=O)N(C)Cc2ccc(N(C)C)cc2)cn1 ZINC001463771564 1183045972 /nfs/dbraw/zinc/04/59/72/1183045972.db2.gz ZSONMAKRVGHJQS-FMIVXFBMSA-N 0 0 309.413 3.128 20 10 DGCDRN O=C(NOCc1ccccc1)c1cc2cc(O)c(O)cc2s1 ZINC001463934166 1183059014 /nfs/dbraw/zinc/05/90/14/1183059014.db2.gz IQABGOLDTQNDCI-UHFFFAOYSA-N 0 0 315.350 3.174 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2ccc3nccnc3c2)cc1 ZINC001464281680 1183082446 /nfs/dbraw/zinc/08/24/46/1183082446.db2.gz QYXMNMLNORUJAB-UHFFFAOYSA-N 0 0 320.312 3.045 20 10 DGCDRN CCN(C(=O)Cc1ccc(O)c(O)c1)[C@@H](C)c1ccc(F)cc1 ZINC001464312955 1183084263 /nfs/dbraw/zinc/08/42/63/1183084263.db2.gz AKBOGSRZJCBWBO-LBPRGKRZSA-N 0 0 317.360 3.389 20 10 DGCDRN Cc1cc(C(=O)NCc2cccc(Cl)c2O)c(N)cc1F ZINC001606868304 1193206162 /nfs/dbraw/zinc/20/61/62/1193206162.db2.gz NBMRMWICGRRVEN-UHFFFAOYSA-N 0 0 308.740 3.005 20 10 DGCDRN COc1cccc(CC(=O)N(C)Cc2ccccc2O)c1Cl ZINC001465843062 1183172387 /nfs/dbraw/zinc/17/23/87/1183172387.db2.gz OYZBWNJHDWPHKZ-UHFFFAOYSA-N 0 0 319.788 3.255 20 10 DGCDRN CCOc1ccccc1C(=O)NCc1cccc(Cl)c1O ZINC001606860193 1193206659 /nfs/dbraw/zinc/20/66/59/1193206659.db2.gz GVZTVKWSNGUUPS-UHFFFAOYSA-N 0 0 305.761 3.374 20 10 DGCDRN CC(C)Oc1cc(F)ccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001466478242 1183206945 /nfs/dbraw/zinc/20/69/45/1183206945.db2.gz ZBYKVBUSFOKQMO-UHFFFAOYSA-N 0 0 319.332 3.205 20 10 DGCDRN C[C@H](NC(=O)Nc1c2c(ccc1F)OCO2)c1ccccc1O ZINC001467178798 1183244971 /nfs/dbraw/zinc/24/49/71/1183244971.db2.gz IYTBZEQSJOKPSW-VIFPVBQESA-N 0 0 318.304 3.143 20 10 DGCDRN C[C@@H](NC(=O)[C@]1(O)CCCC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001467260833 1183250076 /nfs/dbraw/zinc/25/00/76/1183250076.db2.gz UZQSRUAQFJIXOP-KUHUBIRLSA-N 0 0 318.461 3.261 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)Nc1cnc(F)c(F)c1 ZINC001467521290 1183267778 /nfs/dbraw/zinc/26/77/78/1183267778.db2.gz DYTHEXGRJJNRPA-UHFFFAOYSA-N 0 0 313.691 3.041 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C1CC1)C1CCC1 ZINC001468744865 1183354764 /nfs/dbraw/zinc/35/47/64/1183354764.db2.gz XGSYNJQWQPWGGN-SFHVURJKSA-N 0 0 315.461 3.439 20 10 DGCDRN CC(C)[C@]1(C)C[C@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001468806870 1183361163 /nfs/dbraw/zinc/36/11/63/1183361163.db2.gz BCIBEODESPBHCF-ZBFHGGJFSA-N 0 0 305.399 3.477 20 10 DGCDRN CCSCc1ccc(C(=O)NCc2ccc(O)cc2O)cc1 ZINC001469158619 1183387688 /nfs/dbraw/zinc/38/76/88/1183387688.db2.gz FBPQAJSGNGHHPN-UHFFFAOYSA-N 0 0 317.410 3.281 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1cccnc1C(F)F ZINC001469877940 1183443533 /nfs/dbraw/zinc/44/35/33/1183443533.db2.gz ZIIPQGIGBZMYKL-UHFFFAOYSA-N 0 0 312.703 3.308 20 10 DGCDRN COc1cccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)n1 ZINC001470055468 1183458324 /nfs/dbraw/zinc/45/83/24/1183458324.db2.gz UYXRUKYAZMPTRP-UHFFFAOYSA-N 0 0 322.368 3.145 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cccc(C(F)(F)F)n2)c1 ZINC001470254898 1183473480 /nfs/dbraw/zinc/47/34/80/1183473480.db2.gz NKAPNRVTYRUQLN-UHFFFAOYSA-N 0 0 310.275 3.044 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccc(C(F)(F)F)nc2)c1 ZINC001470255595 1183473732 /nfs/dbraw/zinc/47/37/32/1183473732.db2.gz YPVKMXNBMXZRJX-UHFFFAOYSA-N 0 0 310.275 3.044 20 10 DGCDRN CCN(CC)c1ccc(C(=O)NCc2cc(C)ccc2O)cc1 ZINC001470255158 1183473773 /nfs/dbraw/zinc/47/37/73/1183473773.db2.gz ROJMAESNVAMWLO-UHFFFAOYSA-N 0 0 312.413 3.477 20 10 DGCDRN Cc1cc(CNC(=O)C2=COCC2)c(C)n1-c1cccc(C)c1 ZINC001471014962 1183532494 /nfs/dbraw/zinc/53/24/94/1183532494.db2.gz WZWSIYJBLBRLHY-UHFFFAOYSA-N 0 0 310.397 3.323 20 10 DGCDRN C[C@@H](NC(=O)c1cccc2cc(=O)[nH]cc21)c1ccccc1O ZINC001471195695 1183545547 /nfs/dbraw/zinc/54/55/47/1183545547.db2.gz LODLHKUBMSCAHC-LLVKDONJSA-N 0 0 308.337 3.137 20 10 DGCDRN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccccc1O ZINC001471194606 1183545566 /nfs/dbraw/zinc/54/55/66/1183545566.db2.gz LZSBRNNEDBJVJX-JTQLQIEISA-N 0 0 318.304 3.239 20 10 DGCDRN Cc1cc(C(=O)NCc2cnccn2)c(C)n1-c1ccccc1C ZINC001607431853 1193230174 /nfs/dbraw/zinc/23/01/74/1193230174.db2.gz XSSCPHIPLCMZHF-UHFFFAOYSA-N 0 0 320.396 3.123 20 10 DGCDRN CCNc1ccc(Cl)cc1C(=O)NCc1cc(O)ccc1O ZINC001471662230 1183580114 /nfs/dbraw/zinc/58/01/14/1183580114.db2.gz UNQOIQIGKGRTSC-UHFFFAOYSA-N 0 0 320.776 3.113 20 10 DGCDRN O=C(Cc1ccc(F)cc1Cl)NCc1c(O)cccc1F ZINC001471976431 1183604490 /nfs/dbraw/zinc/60/44/90/1183604490.db2.gz YVSRNMHQXRIKDA-UHFFFAOYSA-N 0 0 311.715 3.183 20 10 DGCDRN Cn1ccc(C(=O)NCc2c(O)cccc2O)c1-c1ccccc1 ZINC001472063096 1183612362 /nfs/dbraw/zinc/61/23/62/1183612362.db2.gz CCVJXVMWIOYTAU-UHFFFAOYSA-N 0 0 322.364 3.033 20 10 DGCDRN Cc1n[nH]c(C)c1CCC(=O)NCc1c(O)ccc2ccccc21 ZINC001472086398 1183614461 /nfs/dbraw/zinc/61/44/61/1183614461.db2.gz XOLJBIZUNIKIGF-UHFFFAOYSA-N 0 0 323.396 3.134 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1cccc2c1CCOC2 ZINC001472316633 1183634345 /nfs/dbraw/zinc/63/43/45/1183634345.db2.gz ALDACZQFCVIODG-UHFFFAOYSA-N 0 0 317.772 3.048 20 10 DGCDRN Cc1cc(C(=O)NCc2cccc(Cl)c2O)cc(Cl)n1 ZINC001472316709 1183634480 /nfs/dbraw/zinc/63/44/80/1183634480.db2.gz DNSWXVWJZKNJNS-UHFFFAOYSA-N 0 0 311.168 3.332 20 10 DGCDRN CC(C)c1ccc2c(c1)CCN(C(=O)c1cccc(O)c1O)C2 ZINC001472429889 1183643387 /nfs/dbraw/zinc/64/33/87/1183643387.db2.gz BXSWDTXIYXAMMB-UHFFFAOYSA-N 0 0 311.381 3.420 20 10 DGCDRN COC(=O)c1cc(OC[C@@H]2CCC3(CCC3)O2)ccc1N(C)C ZINC001473077561 1183713100 /nfs/dbraw/zinc/71/31/00/1183713100.db2.gz ZPMLNXCANOZFIN-AWEZNQCLSA-N 0 0 319.401 3.020 20 10 DGCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)CC1CC(C)C1 ZINC001473234490 1183733932 /nfs/dbraw/zinc/73/39/32/1183733932.db2.gz TUWUAXZVLPFUCI-UHFFFAOYSA-N 0 0 311.809 3.067 20 10 DGCDRN COc1ccc2c(c1)CCCCN2Cc1cc(Cl)n(C)n1 ZINC001473290384 1183740684 /nfs/dbraw/zinc/74/06/84/1183740684.db2.gz YJLJSJDDWKEGQT-UHFFFAOYSA-N 0 0 305.809 3.425 20 10 DGCDRN CN(CC(=O)Nc1ccccn1)c1ccc(-c2nccs2)cc1 ZINC001473535564 1183772275 /nfs/dbraw/zinc/77/22/75/1183772275.db2.gz LQFNXVOLSAINGT-UHFFFAOYSA-N 0 0 324.409 3.280 20 10 DGCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@@H](O)C(F)(F)F ZINC001473570046 1183774508 /nfs/dbraw/zinc/77/45/08/1183774508.db2.gz NQTQHDUAIAGBNQ-IUODEOHRSA-N 0 0 317.351 3.253 20 10 DGCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@H](O)C(F)(F)F ZINC001473570048 1183774662 /nfs/dbraw/zinc/77/46/62/1183774662.db2.gz NQTQHDUAIAGBNQ-WFASDCNBSA-N 0 0 317.351 3.253 20 10 DGCDRN Oc1c(F)cc(Cl)cc1CNc1ccc(-n2nccn2)cc1 ZINC001474056906 1183859016 /nfs/dbraw/zinc/85/90/16/1183859016.db2.gz JHQKELLNUOJQNE-UHFFFAOYSA-N 0 0 318.739 3.378 20 10 DGCDRN CN(C(N)=O)c1cccc(NCc2c(O)cccc2Cl)c1 ZINC001474133113 1183873289 /nfs/dbraw/zinc/87/32/89/1183873289.db2.gz GYGARMYSHJIYGY-UHFFFAOYSA-N 0 0 305.765 3.173 20 10 DGCDRN COc1ccc2c(c1)N(Cc1cc(F)cc(F)c1O)CCO2 ZINC001474418594 1183918822 /nfs/dbraw/zinc/91/88/22/1183918822.db2.gz PGAFVPBJIQDBEM-UHFFFAOYSA-N 0 0 307.296 3.078 20 10 DGCDRN COc1cccc2c1CC[N@H+](Cc1cc(F)cc(F)c1[O-])C2 ZINC001474436749 1183921769 /nfs/dbraw/zinc/92/17/69/1183921769.db2.gz NBZLVDBRZLBRFC-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN CCOC(=O)C[C@@](C)([NH2+]Cc1cc(F)cc(F)c1[O-])C(C)C ZINC001474465948 1183926720 /nfs/dbraw/zinc/92/67/20/1183926720.db2.gz ZWBJSXTYMKVXBO-MRXNPFEDSA-N 0 0 315.360 3.128 20 10 DGCDRN Cc1cc(O)c(CNc2cccc(N(C)C(N)=O)c2)cc1Cl ZINC001474489300 1183929117 /nfs/dbraw/zinc/92/91/17/1183929117.db2.gz BSUOQOXLLHAKLD-UHFFFAOYSA-N 0 0 319.792 3.481 20 10 DGCDRN CC[C@@H](C)N(C/C=C\c1ccc(N(C)C)cc1)CC(=O)OC ZINC001474482318 1183929350 /nfs/dbraw/zinc/92/93/50/1183929350.db2.gz XHARXIAQCBAEAL-ZPIQOJFGSA-N 0 0 304.434 3.039 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2C[C@H](C(C)C)[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC001474521471 1183935128 /nfs/dbraw/zinc/93/51/28/1183935128.db2.gz MJBWEGSUOYQMRD-HIFRSBDPSA-N 0 0 322.405 3.421 20 10 DGCDRN [O-]c1c(F)cccc1C[NH2+]Cc1nc(-c2ccncc2)cs1 ZINC001474696468 1183963227 /nfs/dbraw/zinc/96/32/27/1183963227.db2.gz FJBTVIYUDHSESY-UHFFFAOYSA-N 0 0 315.373 3.340 20 10 DGCDRN [O-]c1cccc(F)c1C[NH2+]CC1(c2ccc3c(c2)OCO3)CC1 ZINC001474716315 1183968302 /nfs/dbraw/zinc/96/83/02/1183968302.db2.gz IWVPGRXBMNLTKN-UHFFFAOYSA-N 0 0 315.344 3.081 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC(C)(C)C[C@@H]1C ZINC001477854273 1184114818 /nfs/dbraw/zinc/11/48/18/1184114818.db2.gz JMNNMJUSFAAQNM-AWEZNQCLSA-N 0 0 303.450 3.391 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC/C=C/Cl ZINC001478840990 1184180272 /nfs/dbraw/zinc/18/02/72/1184180272.db2.gz MWYCQQWIZGVWGX-LJLILKBBSA-N 0 0 309.841 3.044 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCC1CC=CC1 ZINC001478982507 1184191376 /nfs/dbraw/zinc/19/13/76/1184191376.db2.gz DECHWTWHAFAQQW-UHFFFAOYSA-N 0 0 313.445 3.394 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1C[C@H](SC)C1 ZINC001479057306 1184199072 /nfs/dbraw/zinc/19/90/72/1184199072.db2.gz APZFJTDZFMZHMS-KOMQPUFPSA-N 0 0 321.490 3.178 20 10 DGCDRN O=C(NCc1c(O)cccc1F)N[C@H]1CCc2c1cccc2F ZINC001479350185 1184238365 /nfs/dbraw/zinc/23/83/65/1184238365.db2.gz XUZLHSGUHZSDFH-HNNXBMFYSA-N 0 0 318.323 3.157 20 10 DGCDRN Cc1sc(C(=O)[O-])cc1CN1CCCc2cc(C[NH3+])ccc21 ZINC001608060762 1193276584 /nfs/dbraw/zinc/27/65/84/1193276584.db2.gz HIXHGBIGNQOTPW-UHFFFAOYSA-N 0 0 316.426 3.166 20 10 DGCDRN C[C@H](CCc1ccco1)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001609740389 1193353572 /nfs/dbraw/zinc/35/35/72/1193353572.db2.gz DYIQMBDSGXAFQH-NEPJUHHUSA-N 0 0 303.358 3.355 20 10 DGCDRN C[C@@H]([NH2+][C@H]1COCc2ccccc21)c1cc(C(=O)[O-])ccc1O ZINC001609774828 1193354944 /nfs/dbraw/zinc/35/49/44/1193354944.db2.gz CAAXWAVOIHIBMT-BZNIZROVSA-N 0 0 313.353 3.013 20 10 DGCDRN C[C@H]([NH2+]CCc1cc(F)cc(F)c1)c1cc(C(=O)[O-])ccc1O ZINC001609779809 1193356331 /nfs/dbraw/zinc/35/63/31/1193356331.db2.gz OQTAOUVHEMJNQR-JTQLQIEISA-N 0 0 321.323 3.262 20 10 DGCDRN C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC001609840461 1193360107 /nfs/dbraw/zinc/36/01/07/1193360107.db2.gz KNIBMKVNZBNJMW-UNEWFSDZSA-N 0 0 316.445 3.048 20 10 DGCDRN Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001610574812 1193399212 /nfs/dbraw/zinc/39/92/12/1193399212.db2.gz HZFBHKFJSAUEDR-UWVGGRQHSA-N 0 0 318.373 3.150 20 10 DGCDRN Cc1cc(C(=O)N2CC(F)(F)C2)c(C)n1-c1ccccc1C ZINC001611414021 1193433475 /nfs/dbraw/zinc/43/34/75/1193433475.db2.gz AYJQAHNWIIVCCS-UHFFFAOYSA-N 0 0 304.340 3.494 20 10 DGCDRN CCC1(Cn2c(C)nnc2N(C)Cc2ccccc2O)CC1 ZINC001513604265 1186692294 /nfs/dbraw/zinc/69/22/94/1186692294.db2.gz PAWPJEGKRJEMIT-UHFFFAOYSA-N 0 0 300.406 3.119 20 10 DGCDRN CC/C=C/Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O ZINC001514203632 1186703287 /nfs/dbraw/zinc/70/32/87/1186703287.db2.gz XZMQVXZXCFYXLG-QPJJXVBHSA-N 0 0 312.417 3.464 20 10 DGCDRN C[C@H](NC(=O)c1c(F)ccc(O)c1O)c1c(F)cccc1F ZINC001611666828 1193439826 /nfs/dbraw/zinc/43/98/26/1193439826.db2.gz CQINUPJMAXMEEM-ZETCQYMHSA-N 0 0 311.259 3.006 20 10 DGCDRN O=[N+]([O-])c1cnc(NCc2ccccc2O)c(C(F)(F)F)c1 ZINC001611888936 1193442730 /nfs/dbraw/zinc/44/27/30/1193442730.db2.gz AZWPCDAWLQLHTC-UHFFFAOYSA-N 0 0 313.235 3.326 20 10 DGCDRN COC(=O)c1cnc(Sc2ncnc3ccsc32)s1 ZINC001612423211 1193451860 /nfs/dbraw/zinc/45/18/60/1193451860.db2.gz SERBGODFVZRFEG-UHFFFAOYSA-N 0 0 309.397 3.086 20 10 DGCDRN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCC[C@H]1C ZINC001612537677 1193454428 /nfs/dbraw/zinc/45/44/28/1193454428.db2.gz JUUPNMWRBQMDJO-HIFRSBDPSA-N 0 0 314.433 3.365 20 10 DGCDRN C[C@@H]1CN(c2nnc(C3SC=CC3=O)n2CC2CC2)C[C@H]1C ZINC001520580896 1186954553 /nfs/dbraw/zinc/95/45/53/1186954553.db2.gz MWTAERFUSHVVKA-GHMZBOCLSA-N 0 0 318.446 3.214 20 10 DGCDRN C[C@H]1C[C@H]1c1nnc(N(C)Cc2ccccc2O)n1CC1CC1 ZINC001521095371 1186996471 /nfs/dbraw/zinc/99/64/71/1186996471.db2.gz HICAICPGKCWTOK-SWLSCSKDSA-N 0 0 312.417 3.154 20 10 DGCDRN COC(=O)/C=C/c1ccc(N(C)C[C@@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC001612651457 1193458574 /nfs/dbraw/zinc/45/85/74/1193458574.db2.gz ZKKMOQKLHXSHOR-CFNZNRNTSA-N 0 0 318.373 3.263 20 10 DGCDRN O=C(NC[C@H]1C[C@@H]1C1CCCC1)N1Cc2cccc(O)c2C1 ZINC001521342138 1187015752 /nfs/dbraw/zinc/01/57/52/1187015752.db2.gz CVEQTRWBHFUNKE-HUUCEWRRSA-N 0 0 300.402 3.244 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NC[C@H]1C[C@@H]1C1CCCC1 ZINC001521349529 1187017044 /nfs/dbraw/zinc/01/70/44/1187017044.db2.gz KBLNQECYJUPOMQ-HZPDHXFCSA-N 0 0 302.418 3.360 20 10 DGCDRN CC(C)(C)Oc1cccc(C(=O)NCc2cccc(O)c2O)c1 ZINC001521851942 1187052755 /nfs/dbraw/zinc/05/27/55/1187052755.db2.gz QUUMMFKSYHEKGB-UHFFFAOYSA-N 0 0 315.369 3.205 20 10 DGCDRN O=C(NCc1cccc(O)c1O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001521851083 1187052817 /nfs/dbraw/zinc/05/28/17/1187052817.db2.gz GAAVVYHBURMZPP-HUUCEWRRSA-N 0 0 315.344 3.047 20 10 DGCDRN O=[N+]([O-])c1cc2c(ncnc2NCc2c(O)cccc2F)s1 ZINC001612950613 1193464711 /nfs/dbraw/zinc/46/47/11/1193464711.db2.gz SDXLYVWABAMNCM-UHFFFAOYSA-N 0 0 320.305 3.056 20 10 DGCDRN CC(C)COc1ccccc1NC(=O)c1cccc(O)c1O ZINC001626213353 1193472389 /nfs/dbraw/zinc/47/23/89/1193472389.db2.gz RNVJDNOMJRXTFL-UHFFFAOYSA-N 0 0 301.342 3.385 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cncc3[nH]ccc32)cc1 ZINC001525931387 1187341374 /nfs/dbraw/zinc/34/13/74/1187341374.db2.gz GLNSYLGABNYNRS-UHFFFAOYSA-N 0 0 322.412 3.339 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001528402258 1187487302 /nfs/dbraw/zinc/48/73/02/1187487302.db2.gz XXUUQTHPVZCWOM-ZMSDIMECSA-N 0 0 318.417 3.024 20 10 DGCDRN Cc1cc(Cl)nc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC001528618931 1187502397 /nfs/dbraw/zinc/50/23/97/1187502397.db2.gz FMAAGXKLNUWDAR-UHFFFAOYSA-N 0 0 321.783 3.179 20 10 DGCDRN CC[C@H](Cc1ccccc1C)C(=O)NCc1cccc(O)c1O ZINC001528771651 1187511279 /nfs/dbraw/zinc/51/12/79/1187511279.db2.gz SKSODNYNJZBGCZ-CQSZACIVSA-N 0 0 313.397 3.291 20 10 DGCDRN Cc1ccc(N(C)C(=O)c2cn(C)nc2-c2cccnc2)c(F)c1 ZINC001528975209 1187523505 /nfs/dbraw/zinc/52/35/05/1187523505.db2.gz YNUKTWJZQVWQIZ-UHFFFAOYSA-N 0 0 324.359 3.206 20 10 DGCDRN C[C@H](NC(=O)c1ccc2cccnc2n1)c1ccc(N(C)C)cc1 ZINC001529478819 1187562506 /nfs/dbraw/zinc/56/25/06/1187562506.db2.gz GEQQKBOXUKSTFP-ZDUSSCGKSA-N 0 0 320.396 3.187 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@]23C[C@@H]2CCCC3)cc1 ZINC001530904594 1187652435 /nfs/dbraw/zinc/65/24/35/1187652435.db2.gz IUFZQDWJJVEJNK-KXBFYZLASA-N 0 0 316.445 3.170 20 10 DGCDRN COCc1sccc1C(=O)Nc1c2nonc2ccc1Cl ZINC001531534158 1187695321 /nfs/dbraw/zinc/69/53/21/1187695321.db2.gz VTQILGZRQXXDAM-UHFFFAOYSA-N 0 0 323.761 3.336 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cncc(F)c1 ZINC001531694016 1187705405 /nfs/dbraw/zinc/70/54/05/1187705405.db2.gz OFDVIQIKVAREIL-UHFFFAOYSA-N 0 0 313.376 3.093 20 10 DGCDRN CCCCC1(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC001532106068 1187735136 /nfs/dbraw/zinc/73/51/36/1187735136.db2.gz QDPQRFSDUXJURU-OAHLLOKOSA-N 0 0 316.445 3.361 20 10 DGCDRN COC(=O)c1cc(OCc2cccc(Cl)n2)ccc1N(C)C ZINC001614868609 1193513921 /nfs/dbraw/zinc/51/39/21/1193513921.db2.gz BYYCIYMILXPGOU-UHFFFAOYSA-N 0 0 320.776 3.167 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C(\C)c2cnccn2)cc1Cl ZINC001534783009 1187921556 /nfs/dbraw/zinc/92/15/56/1187921556.db2.gz VIIYJYFFMYVMTF-DHZHZOJOSA-N 0 0 317.776 3.205 20 10 DGCDRN CCO[C@@H](C(=O)Nc1c2nonc2ccc1Cl)C1CCCC1 ZINC001539053863 1188175361 /nfs/dbraw/zinc/17/53/61/1188175361.db2.gz CVCOLQNJMMAIHG-CQSZACIVSA-N 0 0 323.780 3.410 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H]2c2cccnc2)cc1 ZINC001539474754 1188191766 /nfs/dbraw/zinc/19/17/66/1188191766.db2.gz PZIDUXIHAMDWQQ-OAHLLOKOSA-N 0 0 323.356 3.221 20 10 DGCDRN CO[C@H]1CC[C@@H]1N(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001539778409 1188203552 /nfs/dbraw/zinc/20/35/52/1188203552.db2.gz SBBRCHHTSOQIEA-ROUUACIJSA-N 0 0 312.413 3.344 20 10 DGCDRN CCCCCc1cc(C(=O)NCc2ccc(N(C)C)cc2)[nH]n1 ZINC001540494136 1188242209 /nfs/dbraw/zinc/24/22/09/1188242209.db2.gz DAYKHWPUFMZSRM-UHFFFAOYSA-N 0 0 314.433 3.138 20 10 DGCDRN CC(C)[C@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001540807679 1188263067 /nfs/dbraw/zinc/26/30/67/1188263067.db2.gz LJPLAXHKTFMAAR-INIZCTEOSA-N 0 0 313.397 3.196 20 10 DGCDRN COc1ccc(-n2c(C)cc(C(=O)Nc3cc(C)[nH]n3)c2C)cc1 ZINC001542100268 1188276708 /nfs/dbraw/zinc/27/67/08/1188276708.db2.gz YFGXZFJQRYOZJW-UHFFFAOYSA-N 0 0 324.384 3.387 20 10 DGCDRN C/C(=C(/F)C(=O)NCc1ccc2c(c1)CCCN2C)C1CC1 ZINC001542389702 1188283590 /nfs/dbraw/zinc/28/35/90/1188283590.db2.gz LNIDHPCPNLNOIH-ATVHPVEESA-N 0 0 302.393 3.339 20 10 DGCDRN Cc1nnc(N(C)Cc2ccccc2O)n1CC1CCCC1 ZINC001543150697 1188315843 /nfs/dbraw/zinc/31/58/43/1188315843.db2.gz HFHOYWVGAVWQFC-UHFFFAOYSA-N 0 0 300.406 3.119 20 10 DGCDRN O=C(/C=C/c1cccnc1)N1CCCc2c(F)c(F)c(F)cc21 ZINC001544733755 1188407787 /nfs/dbraw/zinc/40/77/87/1188407787.db2.gz LNMALXKDXUWBNX-AATRIKPKSA-N 0 0 318.298 3.492 20 10 DGCDRN CCN(C(=O)c1cccc(O)c1O)[C@@H](C)Cc1ccsc1 ZINC001617186893 1193561072 /nfs/dbraw/zinc/56/10/72/1193561072.db2.gz OQYHDGIMHUNWDR-NSHDSACASA-N 0 0 305.399 3.253 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ccc(-c2cnn(C)c2)cc1 ZINC001545501137 1188431959 /nfs/dbraw/zinc/43/19/59/1188431959.db2.gz IVOFHWDLMWQJLB-UHFFFAOYSA-N 0 0 321.380 3.065 20 10 DGCDRN CC[C@@H](Sc1ccccc1)C(=O)NCc1ccc(O)cc1O ZINC001557084995 1189039858 /nfs/dbraw/zinc/03/98/58/1189039858.db2.gz XQAIMQIRSHGWPK-MRXNPFEDSA-N 0 0 317.410 3.285 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1cc2ccccc2cc1F ZINC001557085692 1189040223 /nfs/dbraw/zinc/04/02/23/1189040223.db2.gz SWPPQEIREMCDDA-UHFFFAOYSA-N 0 0 311.312 3.320 20 10 DGCDRN Cc1ccc2c(c1)CN(C(=O)c1ccc(N=NC(N)=O)cc1)CC2 ZINC001557398537 1189061944 /nfs/dbraw/zinc/06/19/44/1189061944.db2.gz CXQMJQQMHKFWOA-UHFFFAOYSA-N 0 0 322.368 3.356 20 10 DGCDRN C[C@H](NC(=O)c1cc(-c2cccs2)n[nH]1)c1ccccc1O ZINC001557967771 1189095823 /nfs/dbraw/zinc/09/58/23/1189095823.db2.gz LAVHBMAJCIMVGF-JTQLQIEISA-N 0 0 313.382 3.335 20 10 DGCDRN C[C@H](NC(=O)c1cc2c(cc1O)CCCC2)c1ccccc1O ZINC001557967435 1189095845 /nfs/dbraw/zinc/09/58/45/1189095845.db2.gz CGIPCHPAWPAUKU-LBPRGKRZSA-N 0 0 311.381 3.468 20 10 DGCDRN Cc1c2ccccc2[nH]c(=O)c1C(=O)N[C@@H](C)c1ccccc1O ZINC001557968014 1189096121 /nfs/dbraw/zinc/09/61/21/1189096121.db2.gz OUHOGDNSQTXEKN-LBPRGKRZSA-N 0 0 322.364 3.445 20 10 DGCDRN CCc1nc(C)c(C(=O)NCc2c(O)ccc3ccccc32)o1 ZINC001558554890 1189132957 /nfs/dbraw/zinc/13/29/57/1189132957.db2.gz XVBUDSDSALCGLS-UHFFFAOYSA-N 0 0 310.353 3.334 20 10 DGCDRN COc1ccc(N(Cc2ccco2)Cc2nncs2)cc1F ZINC001559599961 1189222161 /nfs/dbraw/zinc/22/21/61/1189222161.db2.gz JUPHQBFAVSVFMO-UHFFFAOYSA-N 0 0 319.361 3.486 20 10 DGCDRN COC(=O)[C@]1(NCc2ccc(N(C)C)cc2)CCCC(C)(C)C1 ZINC001560009804 1189269400 /nfs/dbraw/zinc/26/94/00/1189269400.db2.gz FIFXQTOUYPBUDS-IBGZPJMESA-N 0 0 318.461 3.354 20 10 DGCDRN CCc1cc(C[NH2+]Cc2cc(C)cc(Br)c2[O-])[nH]n1 ZINC001560329115 1189311658 /nfs/dbraw/zinc/31/16/58/1189311658.db2.gz VEUYYANVOCFSEH-UHFFFAOYSA-N 0 0 324.222 3.038 20 10 DGCDRN Cc1ccc(NCc2cc(Cl)cc(F)c2O)cc1C(N)=O ZINC001560382513 1189321193 /nfs/dbraw/zinc/32/11/93/1189321193.db2.gz FMQZNFOLSYTJES-UHFFFAOYSA-N 0 0 308.740 3.204 20 10 DGCDRN CN(C)c1cc(F)c(CN2CCSC(C)(C)C2)cc1F ZINC001560687864 1189360825 /nfs/dbraw/zinc/36/08/25/1189360825.db2.gz RGDPSBYBUVGFES-UHFFFAOYSA-N 0 0 300.418 3.358 20 10 DGCDRN CCc1ccc([C@@H](O)C[NH2+]Cc2ccc(Cl)cc2O)cc1 ZINC001560824528 1189388262 /nfs/dbraw/zinc/38/82/62/1189388262.db2.gz LYQYAKSXWVKWCQ-KRWDZBQOSA-N 0 0 305.805 3.431 20 10 DGCDRN Oc1cccc2c1CN(Cc1ccc(Br)nc1)C2 ZINC001560978888 1189414587 /nfs/dbraw/zinc/41/45/87/1189414587.db2.gz VAAVMQLVFQVVRZ-UHFFFAOYSA-N 0 0 305.175 3.066 20 10 DGCDRN O=C(Nc1cc(F)c(F)c(F)c1)N1Cc2cccc(O)c2C1 ZINC001562416892 1189482205 /nfs/dbraw/zinc/48/22/05/1189482205.db2.gz OQUUKCBVHGFLCD-UHFFFAOYSA-N 0 0 308.259 3.357 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1csnc1OC ZINC001563236435 1189501594 /nfs/dbraw/zinc/50/15/94/1189501594.db2.gz XEKUHSHOIXJFHK-UHFFFAOYSA-N 0 0 321.402 3.301 20 10 DGCDRN CC[C@@H]1CCC[C@@H]1CNC(=O)NCc1ccc(N(C)C)cc1 ZINC001563610454 1189523020 /nfs/dbraw/zinc/52/30/20/1189523020.db2.gz SBGXAESGDVJKRC-HZPDHXFCSA-N 0 0 303.450 3.378 20 10 DGCDRN C[C@H]1CCC[C@H]1CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC001563791750 1189534536 /nfs/dbraw/zinc/53/45/36/1189534536.db2.gz GBOAOLMLRVMBTH-YOEHRIQHSA-N 0 0 315.461 3.304 20 10 DGCDRN C[C@H](NC(=O)N1Cc2cccc(O)c2C1)c1c(F)cccc1F ZINC001565382658 1189640983 /nfs/dbraw/zinc/64/09/83/1189640983.db2.gz YZMIFNUGXVNMGE-JTQLQIEISA-N 0 0 318.323 3.457 20 10 DGCDRN Cc1coc(-c2cccc(NC(=O)Cc3ccc(O)c(O)c3)c2)n1 ZINC001566411348 1189768495 /nfs/dbraw/zinc/76/84/95/1189768495.db2.gz GJLJITAGLFDMCD-UHFFFAOYSA-N 0 0 324.336 3.242 20 10 DGCDRN CCCCC[C@H](O)C(=O)N(CCCC)Cc1ccccc1O ZINC001568137176 1190433272 /nfs/dbraw/zinc/43/32/72/1190433272.db2.gz HMSGWSOIOJQVGY-KRWDZBQOSA-N 0 0 307.434 3.462 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)c1ccc(F)cc1F ZINC001570532086 1190877519 /nfs/dbraw/zinc/87/75/19/1190877519.db2.gz YHDZYFKGVTWDLH-UHFFFAOYSA-N 0 0 314.291 3.149 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@H]2[C@H]2CCCO2)cc1 ZINC001570898334 1190972756 /nfs/dbraw/zinc/97/27/56/1190972756.db2.gz QLMBTJUVXUUUDL-GUDVDZBRSA-N 0 0 324.424 3.391 20 10 DGCDRN CC(=O)Nc1ccc(C(=O)N(C)c2ccc(N)cc2)cc1Cl ZINC001575018322 1191463572 /nfs/dbraw/zinc/46/35/72/1191463572.db2.gz IKZNKNDGSJECOD-UHFFFAOYSA-N 0 0 317.776 3.157 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC001621087274 1193800711 /nfs/dbraw/zinc/80/07/11/1193800711.db2.gz DUJWJGLIZTVRPS-GWCFXTLKSA-N 0 0 301.789 3.216 20 10 DGCDRN CC(C)c1ccc(O)c(CN2CCNC(=O)c3ccccc32)c1 ZINC001621369594 1193834398 /nfs/dbraw/zinc/83/43/98/1193834398.db2.gz UJKYTIBWXQGJLX-UHFFFAOYSA-N 0 0 310.397 3.266 20 10 DGCDRN C[C@@H](Cc1ccno1)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC001621375644 1193834811 /nfs/dbraw/zinc/83/48/11/1193834811.db2.gz CUIWIYOVEZXWJU-QMMMGPOBSA-N 0 0 301.173 3.408 20 10 DGCDRN C[C@@H](NS(=O)(=O)c1cc2ccccc2o1)c1ccccc1O ZINC001622461291 1193901858 /nfs/dbraw/zinc/90/18/58/1193901858.db2.gz WDNLVMNYXIUZFH-LLVKDONJSA-N 0 0 317.366 3.178 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C(C)=C/c2ccncc2)c1 ZINC001622780006 1193911927 /nfs/dbraw/zinc/91/19/27/1193911927.db2.gz ZWIJMANADWQYIQ-RSKUSDAESA-N 0 0 312.369 3.077 20 10 DGCDRN COC1(C(=O)N(C)Cc2ccc(N(C)C)cc2)CCCCCC1 ZINC001623387233 1193930768 /nfs/dbraw/zinc/93/07/68/1193930768.db2.gz UVCDSLRYWKVTRC-UHFFFAOYSA-N 0 0 318.461 3.450 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)/C=C/c1ccc[nH]1 ZINC001623549733 1193937896 /nfs/dbraw/zinc/93/78/96/1193937896.db2.gz JTCWQDTUFXXNAQ-DHZHZOJOSA-N 0 0 309.413 3.287 20 10 DGCDRN Nc1ccc(CNC(=O)c2cc(F)ccc2Br)cc1 ZINC000037666223 1193943780 /nfs/dbraw/zinc/94/37/80/1193943780.db2.gz KBCRCFDGTPOMQC-UHFFFAOYSA-N 0 0 323.165 3.100 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2cc3c(cc2C)OCO3)c1 ZINC001623680072 1193945227 /nfs/dbraw/zinc/94/52/27/1193945227.db2.gz CTEOSRDCIXISEM-UHFFFAOYSA-N 0 0 314.341 3.059 20 10 DGCDRN CCN(Cc1ccccc1Cl)C(=O)Cc1ccc(O)c(O)c1 ZINC001624287413 1193990532 /nfs/dbraw/zinc/99/05/32/1193990532.db2.gz ZSVNAUYENUJXGK-UHFFFAOYSA-N 0 0 319.788 3.342 20 10 DGCDRN COc1cc(F)ccc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001624301523 1193991902 /nfs/dbraw/zinc/99/19/02/1193991902.db2.gz VSDWSENRSVREBA-UHFFFAOYSA-N 0 0 316.292 3.249 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCCCCO ZINC001624553906 1194003790 /nfs/dbraw/zinc/00/37/90/1194003790.db2.gz JNYAIAFAGBVFBD-UHFFFAOYSA-N 0 0 318.461 3.188 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@H](c1ccccc1)C(F)F ZINC001624995221 1194026410 /nfs/dbraw/zinc/02/64/10/1194026410.db2.gz ZHVVTZHCADZBOF-CQSZACIVSA-N 0 0 306.312 3.198 20 10 DGCDRN Cc1cc([C@@H](C)NC(=O)Cc2ccc(O)c(O)c2)c(C)s1 ZINC001625413053 1194049698 /nfs/dbraw/zinc/04/96/98/1194049698.db2.gz WMPXBIGHAFRHCW-SNVBAGLBSA-N 0 0 305.399 3.196 20 10 DGCDRN Cc1cc([C@H](C)NC(=O)Cc2ccc(O)c(O)c2)c(C)s1 ZINC001625413052 1194050190 /nfs/dbraw/zinc/05/01/90/1194050190.db2.gz WMPXBIGHAFRHCW-JTQLQIEISA-N 0 0 305.399 3.196 20 10 DGCDRN Cc1cc(C(=O)NCc2ccc3cccnc3c2O)ccc1F ZINC001627073203 1194110577 /nfs/dbraw/zinc/11/05/77/1194110577.db2.gz MDOGBZQGUNTIBM-UHFFFAOYSA-N 0 0 310.328 3.318 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N[C@H](c1ccccc1)C1CCC1 ZINC001627374461 1194125151 /nfs/dbraw/zinc/12/51/51/1194125151.db2.gz OIBLOBPHSFJRDV-LJQANCHMSA-N 0 0 311.381 3.298 20 10 DGCDRN CCCONC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC001627512111 1194132670 /nfs/dbraw/zinc/13/26/70/1194132670.db2.gz WPVOWXPBDLIPCN-UHFFFAOYSA-N 0 0 302.374 3.174 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cccc(CO)c1 ZINC001628954131 1194206034 /nfs/dbraw/zinc/20/60/34/1194206034.db2.gz COPMZYXMEPUTTM-UHFFFAOYSA-N 0 0 324.424 3.051 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NCC2(c3ccccc3)CC2)cc1 ZINC001629136218 1194215859 /nfs/dbraw/zinc/21/58/59/1194215859.db2.gz QRVRZKBCRVQHTD-UHFFFAOYSA-N 0 0 322.368 3.311 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC[C@H]2CC3CCC2CC3)cc1 ZINC001629377444 1194230446 /nfs/dbraw/zinc/23/04/46/1194230446.db2.gz XJGPPCWEUQNUCL-BDVYOWHSSA-N 0 0 315.461 3.378 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@@H](O)C(C)C ZINC001629995776 1194263853 /nfs/dbraw/zinc/26/38/53/1194263853.db2.gz KLLLXCUAIILBPT-GOSISDBHSA-N 0 0 314.429 3.149 20 10 DGCDRN CC[C@H](C)CCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC001630355848 1194282086 /nfs/dbraw/zinc/28/20/86/1194282086.db2.gz WLOMHNRMRXNOCY-AWEZNQCLSA-N 0 0 303.450 3.304 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2c(F)nccc2Cl)c1 ZINC001630373879 1194282932 /nfs/dbraw/zinc/28/29/32/1194282932.db2.gz VHQZQJLSLRDWGC-MRVPVSSYSA-N 0 0 324.739 3.079 20 10 DGCDRN C[C@H](CC(=O)NCc1ccc2cccnc2c1O)c1ccco1 ZINC001630532706 1194290104 /nfs/dbraw/zinc/29/01/04/1194290104.db2.gz OTURNVWZBMXMJF-GFCCVEGCSA-N 0 0 310.353 3.343 20 10 DGCDRN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)Cc1ccccc1O ZINC001631151742 1194322218 /nfs/dbraw/zinc/32/22/18/1194322218.db2.gz SVIMJAZQRPGQMX-UHFFFAOYSA-N 0 0 318.304 3.020 20 10 DGCDRN CSc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1C ZINC001631776390 1194355097 /nfs/dbraw/zinc/35/50/97/1194355097.db2.gz DKFXITPDXDBYAW-UHFFFAOYSA-N 0 0 303.383 3.309 20 10 DGCDRN O=C(CCOc1cccc(F)c1)NCc1cc(Cl)ccc1O ZINC001632223548 1194377968 /nfs/dbraw/zinc/37/79/68/1194377968.db2.gz LJKOCEYLKGCEKR-UHFFFAOYSA-N 0 0 323.751 3.270 20 10 DGCDRN O=C(CCOc1ccccc1Cl)N1Cc2cccc(O)c2C1 ZINC001632703415 1194402673 /nfs/dbraw/zinc/40/26/73/1194402673.db2.gz ISKUWLNHGTYUGI-UHFFFAOYSA-N 0 0 317.772 3.357 20 10 DGCDRN COc1cccc(/C(C)=C/C(=O)NCc2cc(C)ccc2O)c1 ZINC001633282445 1194429772 /nfs/dbraw/zinc/42/97/72/1194429772.db2.gz JMUCZNLTPFKHRC-GXDHUFHOSA-N 0 0 311.381 3.429 20 10 DGCDRN C[C@H](NC(=O)c1cnc2[nH]ccc2c1)c1ccc(N(C)C)cc1 ZINC001633315000 1194431422 /nfs/dbraw/zinc/43/14/22/1194431422.db2.gz AXZVAXSCKHOANA-LBPRGKRZSA-N 0 0 308.385 3.072 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccsc1 ZINC001634016937 1194470106 /nfs/dbraw/zinc/47/01/06/1194470106.db2.gz LUTRBJPSTCCNSU-SECBINFHSA-N 0 0 302.359 3.402 20 10 DGCDRN C[C@H](NC(=O)c1cc2c([nH]1)CCCC2)c1ccc(N(C)C)cc1 ZINC001634447906 1194494434 /nfs/dbraw/zinc/49/44/34/1194494434.db2.gz DAUHWOLYVRJUFM-ZDUSSCGKSA-N 0 0 311.429 3.451 20 10 DGCDRN CCCC[C@](C)(F)C(=O)C(=O)CC(C)(C)CC(=O)OCC ZINC001634943578 1194524237 /nfs/dbraw/zinc/52/42/37/1194524237.db2.gz ALJAGYZMALLZRQ-INIZCTEOSA-N 0 0 302.386 3.413 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cc(Cl)nc(Cl)c1 ZINC001635360736 1194547068 /nfs/dbraw/zinc/54/70/68/1194547068.db2.gz RCCBCYZYLFQCCX-UHFFFAOYSA-N 0 0 315.131 3.163 20 10 DGCDRN CC(C)(Nc1ccccc1)C(=O)NCc1c(O)cccc1F ZINC001635366536 1194547474 /nfs/dbraw/zinc/54/74/74/1194547474.db2.gz ABKOKGGQSFSFBH-UHFFFAOYSA-N 0 0 302.349 3.038 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1nccn1C(C)C ZINC001635663832 1194564990 /nfs/dbraw/zinc/56/49/90/1194564990.db2.gz YSIDLNWEQOWTJQ-UHFFFAOYSA-N 0 0 301.390 3.222 20 10 DGCDRN C[C@@H](NC(=O)c1c[nH]c2cc(=O)ccc-2c1)c1ccccc1O ZINC001635799187 1194572431 /nfs/dbraw/zinc/57/24/31/1194572431.db2.gz SLBKTXWOJADGSI-LLVKDONJSA-N 0 0 308.337 3.137 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1coc(C2CC2)n1 ZINC001635969926 1194582794 /nfs/dbraw/zinc/58/27/94/1194582794.db2.gz ZJYUBBDTQUGZPR-UHFFFAOYSA-N 0 0 308.337 3.341 20 10 DGCDRN COc1ccc2cc(C(=O)N3Cc4cccc(O)c4C3)[nH]c2c1 ZINC001636230974 1194600986 /nfs/dbraw/zinc/60/09/86/1194600986.db2.gz LXHLYGAEUCOBHF-UHFFFAOYSA-N 0 0 308.337 3.038 20 10 DGCDRN O=C(c1cc(-c2ccccc2)on1)N1Cc2cccc(O)c2C1 ZINC001636230347 1194601366 /nfs/dbraw/zinc/60/13/66/1194601366.db2.gz AEJUJTPXTIAXIY-UHFFFAOYSA-N 0 0 306.321 3.203 20 10 DGCDRN Cc1ccc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c(O)c1O ZINC001637068580 1194648523 /nfs/dbraw/zinc/64/85/23/1194648523.db2.gz FNJMXWYGZLRWHN-UHFFFAOYSA-N 0 0 316.313 3.184 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1ccc(-c2ccccc2)[nH]1 ZINC001637126257 1194651405 /nfs/dbraw/zinc/65/14/05/1194651405.db2.gz QEFHIKWGZIOMHY-UHFFFAOYSA-N 0 0 308.337 3.023 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001637126004 1194651687 /nfs/dbraw/zinc/65/16/87/1194651687.db2.gz JXODZZYEPXKULR-SJORKVTESA-N 0 0 311.381 3.298 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N[C@@H](c1ccco1)c1ccccc1 ZINC001638230403 1194707692 /nfs/dbraw/zinc/70/76/92/1194707692.db2.gz FOEDCKCXSPMNIE-LJQANCHMSA-N 0 0 323.348 3.139 20 10 DGCDRN Cc1ccc(F)c2oc(C(=O)NCc3ccc(O)cc3O)cc21 ZINC001638356483 1194713661 /nfs/dbraw/zinc/71/36/61/1194713661.db2.gz JCZJSIJIQGAZPP-UHFFFAOYSA-N 0 0 315.300 3.222 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1cccc(-c2ccoc2)c1 ZINC001638352902 1194713720 /nfs/dbraw/zinc/71/37/20/1194713720.db2.gz WPOOXWNAGHSFGH-UHFFFAOYSA-N 0 0 309.321 3.288 20 10 DGCDRN Cc1cccc(F)c1C(=O)NCc1ccc2cccnc2c1O ZINC001638573188 1194724558 /nfs/dbraw/zinc/72/45/58/1194724558.db2.gz MLPWCFMVSCZKFK-UHFFFAOYSA-N 0 0 310.328 3.318 20 10 DGCDRN C[C@@H](Oc1ccccc1)C(=O)NCc1ccc2cccnc2c1O ZINC001638569827 1194724731 /nfs/dbraw/zinc/72/47/31/1194724731.db2.gz NLIWUJNSNYBPLS-CYBMUJFWSA-N 0 0 322.364 3.024 20 10 DGCDRN COc1ccc(-n2c(C)cc(C(=O)N3CCCCO3)c2C)cc1 ZINC001638986955 1194746300 /nfs/dbraw/zinc/74/63/00/1194746300.db2.gz PDLZBCJUSPPJEX-UHFFFAOYSA-N 0 0 314.385 3.270 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1ccccc1-c1ccncc1 ZINC001639295643 1194759453 /nfs/dbraw/zinc/75/94/53/1194759453.db2.gz AZFBEYRKYHBIOU-UHFFFAOYSA-N 0 0 320.348 3.090 20 10 DGCDRN Cc1cccc(C2(NC(=O)Cc3ccc(O)c(O)c3)CCC2)c1 ZINC001639895069 1194786904 /nfs/dbraw/zinc/78/69/04/1194786904.db2.gz XEYZTMFHPQHJPY-UHFFFAOYSA-N 0 0 311.381 3.144 20 10 DGCDRN COC(=O)c1cnc(Sc2ccc([N+](=O)[O-])cc2F)s1 ZINC001639959892 1194788848 /nfs/dbraw/zinc/78/88/48/1194788848.db2.gz FBRCXIDBQLYZNN-UHFFFAOYSA-N 0 0 314.319 3.128 20 10 DGCDRN Cc1c(C(=O)NCc2cc(Cl)ccc2O)cccc1[N+](=O)[O-] ZINC001639965033 1194789419 /nfs/dbraw/zinc/78/94/19/1194789419.db2.gz AZCBNNCXBUBHEZ-UHFFFAOYSA-N 0 0 320.732 3.192 20 10 DGCDRN C[C@H]1Cc2cc(Cl)ccc2N1C(=O)Cc1ccc(O)c(O)c1 ZINC001640839883 1194830456 /nfs/dbraw/zinc/83/04/56/1194830456.db2.gz SZLTYWYFASGKPC-JTQLQIEISA-N 0 0 317.772 3.272 20 10 DGCDRN Cc1nc2c(cccc2C(=O)NCc2cc(Cl)ccc2O)o1 ZINC001640919795 1194832745 /nfs/dbraw/zinc/83/27/45/1194832745.db2.gz BGUMEGSGQFSFSA-UHFFFAOYSA-N 0 0 316.744 3.425 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C(=O)c1ccccc1 ZINC001641071509 1194838477 /nfs/dbraw/zinc/83/84/77/1194838477.db2.gz LWZWGYGKOWVZKH-UHFFFAOYSA-N 0 0 322.408 3.128 20 10 DGCDRN CS[C@@H](C(=O)NCc1cc(C)ccc1O)c1ccccc1 ZINC001641733384 1194868603 /nfs/dbraw/zinc/86/86/03/1194868603.db2.gz UDODCGPVAHPFEZ-MRXNPFEDSA-N 0 0 301.411 3.421 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Cc2ccc(Cl)c(F)c2)c1 ZINC001641732468 1194868785 /nfs/dbraw/zinc/86/87/85/1194868785.db2.gz BWBWDAKMFYFQOG-UHFFFAOYSA-N 0 0 307.752 3.352 20 10 DGCDRN CCc1nnc(NCc2ccc(N(CC)CC)cc2)nc1CC ZINC001642095561 1194887492 /nfs/dbraw/zinc/88/74/92/1194887492.db2.gz RKLQVVVWUKTXAA-UHFFFAOYSA-N 0 0 313.449 3.455 20 10 DGCDRN C[C@@H](NC(=O)c1sc2ncccc2c1N)c1ccccc1O ZINC001642827170 1194943447 /nfs/dbraw/zinc/94/34/47/1194943447.db2.gz ALULUJWWKOFMSR-SECBINFHSA-N 0 0 313.382 3.075 20 10 DGCDRN COc1ccc2cc(C(=O)N[C@@H](C)c3ccccc3O)[nH]c2c1 ZINC001642827917 1194944621 /nfs/dbraw/zinc/94/46/21/1194944621.db2.gz VXNOKAJUIAZCLW-NSHDSACASA-N 0 0 310.353 3.373 20 10 DGCDRN Cc1cnn(-c2ccc(C(=O)N3Cc4cccc(O)c4C3)cc2)c1 ZINC001643169302 1195000736 /nfs/dbraw/zinc/00/07/36/1195000736.db2.gz QBFWKRCYGBLREA-UHFFFAOYSA-N 0 0 319.364 3.042 20 10 DGCDRN CCO[C@@H]1C[C@H]1C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001643366522 1195018231 /nfs/dbraw/zinc/01/82/31/1195018231.db2.gz PNILOUQHUWHMSQ-QZTJIDSGSA-N 0 0 312.413 3.135 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1ccc(C(F)F)cc1F ZINC001643882264 1195060120 /nfs/dbraw/zinc/06/01/20/1195060120.db2.gz RNJHKMFOTKSATJ-UHFFFAOYSA-N 0 0 311.259 3.105 20 10 DGCDRN C[C@H](Sc1ccc(F)cc1)C(=O)NCc1cc(O)ccc1O ZINC001643885213 1195061524 /nfs/dbraw/zinc/06/15/24/1195061524.db2.gz NDFPFXZNVYRMGJ-JTQLQIEISA-N 0 0 321.373 3.034 20 10 DGCDRN O=C(C[C@@H](O)c1ccc(Cl)cc1)N1Cc2cccc(O)c2C1 ZINC001644088414 1195080174 /nfs/dbraw/zinc/08/01/74/1195080174.db2.gz UAQHHUIGROUESW-MRXNPFEDSA-N 0 0 317.772 3.012 20 10 DGCDRN O=C(c1cccc(OC(F)F)c1)N1Cc2cccc(O)c2C1 ZINC001644084531 1195080624 /nfs/dbraw/zinc/08/06/24/1195080624.db2.gz ZXFBLJBEHZYBMF-UHFFFAOYSA-N 0 0 305.280 3.150 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1cc2cccc(Cl)c2o1 ZINC001644710856 1195128821 /nfs/dbraw/zinc/12/88/21/1195128821.db2.gz LUKMGNHOQPAZES-UHFFFAOYSA-N 0 0 317.728 3.427 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1coc2ccc(Cl)cc12 ZINC001644711308 1195129112 /nfs/dbraw/zinc/12/91/12/1195129112.db2.gz XEWNOSDASJGUNN-UHFFFAOYSA-N 0 0 317.728 3.427 20 10 DGCDRN CCCOC(=O)[C@H](C)N1CCCc2cc(OC(F)F)ccc21 ZINC001644806139 1195135835 /nfs/dbraw/zinc/13/58/35/1195135835.db2.gz JKSSCCICYONLOM-NSHDSACASA-N 0 0 313.344 3.382 20 10 DGCDRN CCOc1ccc(N(CC)CC(=O)NCCC(C)(C)C)cc1 ZINC001644897654 1195141577 /nfs/dbraw/zinc/14/15/77/1195141577.db2.gz WOCOGZIMIVFITM-UHFFFAOYSA-N 0 0 306.450 3.464 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(O)cc1Cl ZINC001645312285 1195173882 /nfs/dbraw/zinc/17/38/82/1195173882.db2.gz CQOKKFAQWGRDMU-KXFIGUGUSA-N 0 0 305.717 3.109 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Cc2ccc(F)cc2Cl)c1 ZINC001645801016 1195202057 /nfs/dbraw/zinc/20/20/57/1195202057.db2.gz ZRVNSFLTLZJHKY-UHFFFAOYSA-N 0 0 307.752 3.352 20 10 DGCDRN Cc1cc(C(=O)NC[C@]23C[C@H]2CCC3)c(C)n1-c1ccccn1 ZINC001646209250 1195217745 /nfs/dbraw/zinc/21/77/45/1195217745.db2.gz OIYALSJQPMXEPP-BEFAXECRSA-N 0 0 309.413 3.409 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)Nc1cc2ccccn2n1 ZINC001671235904 1195249202 /nfs/dbraw/zinc/24/92/02/1195249202.db2.gz IRLGJWAUVRBOIC-UHFFFAOYSA-N 0 0 316.748 3.015 20 10 DGCDRN Cc1ccc(OCC(=O)NCc2cccc(Cl)c2O)c(C)c1 ZINC001647826760 1195256559 /nfs/dbraw/zinc/25/65/59/1195256559.db2.gz IPQIOQLKXQMIDL-UHFFFAOYSA-N 0 0 319.788 3.358 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1nccc2occc21 ZINC001647830232 1195257189 /nfs/dbraw/zinc/25/71/89/1195257189.db2.gz OLQFWFUHLAGGAG-UHFFFAOYSA-N 0 0 302.717 3.117 20 10 DGCDRN COC(=O)[C@H](N[C@H](C)c1ccccc1O)c1ccccc1F ZINC001648054475 1195274265 /nfs/dbraw/zinc/27/42/65/1195274265.db2.gz WQAXMUXXTQLPSP-BDJLRTHQSA-N 0 0 303.333 3.096 20 10 DGCDRN O=C(NCc1ccc(C2CCC2)cc1)c1c(F)ccc(O)c1O ZINC001648713536 1195324849 /nfs/dbraw/zinc/32/48/49/1195324849.db2.gz YLDSDVLNCDIGLZ-UHFFFAOYSA-N 0 0 315.344 3.434 20 10 DGCDRN CCCOc1ccnc(NCc2ccc3c(c2)CCCN3C)n1 ZINC001650685621 1195371480 /nfs/dbraw/zinc/37/14/80/1195371480.db2.gz ICWFHZNWPJCLBU-UHFFFAOYSA-N 0 0 312.417 3.260 20 10 DGCDRN CN(C)c1ccc(CNc2ncnc(-c3ccccc3)n2)cc1F ZINC001650696193 1195372248 /nfs/dbraw/zinc/37/22/48/1195372248.db2.gz TYSYXLLUKUMEQJ-UHFFFAOYSA-N 0 0 323.375 3.356 20 10 DGCDRN Cc1ccc(NCc2cc(F)c(N(C)C)cc2F)cc1C(N)=O ZINC001650716672 1195375289 /nfs/dbraw/zinc/37/52/89/1195375289.db2.gz PYGIPRJERQIZHG-UHFFFAOYSA-N 0 0 319.355 3.050 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])[C@@H](O)Cc1ccccc1 ZINC001650807852 1195385419 /nfs/dbraw/zinc/38/54/19/1195385419.db2.gz QGOVTOZTFODKFB-ZBEGNZNMSA-N 0 0 323.795 3.266 20 10 DGCDRN COc1ncc(C)cc1NCc1c(O)cccc1Br ZINC001650816642 1195386205 /nfs/dbraw/zinc/38/62/05/1195386205.db2.gz LEWNXGREVRXWEI-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN CC[C@H](Cc1ccccc1C)C(=O)NCc1cc(O)ccc1O ZINC001651225725 1195428498 /nfs/dbraw/zinc/42/84/98/1195428498.db2.gz WFMKEDQSHGZXCL-CQSZACIVSA-N 0 0 313.397 3.291 20 10 DGCDRN C[C@H](Nc1ccc2nnc(C(F)(F)F)n2n1)c1ccccc1O ZINC001651333679 1195445609 /nfs/dbraw/zinc/44/56/09/1195445609.db2.gz BRPGKEYSEXOMOX-QMMMGPOBSA-N 0 0 323.278 3.022 20 10 DGCDRN CSc1nc2ncnc(NCc3c(O)cccc3F)c2s1 ZINC001651438679 1195461800 /nfs/dbraw/zinc/46/18/00/1195461800.db2.gz PHBSZXHRDXWLIN-UHFFFAOYSA-N 0 0 322.390 3.265 20 10 DGCDRN COc1cccc2cc(C(=O)NCc3c(O)cccc3F)oc21 ZINC001652295912 1195576949 /nfs/dbraw/zinc/57/69/49/1195576949.db2.gz VCEGMTPMABBKGN-UHFFFAOYSA-N 0 0 315.300 3.216 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@H]1C[C@@]1(F)c1ccccc1 ZINC001652298715 1195578607 /nfs/dbraw/zinc/57/86/07/1195578607.db2.gz OLLHHNXSZJTJSD-CXAGYDPISA-N 0 0 303.308 3.032 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC001652298718 1195578716 /nfs/dbraw/zinc/57/87/16/1195578716.db2.gz OLLHHNXSZJTJSD-SUMWQHHRSA-N 0 0 303.308 3.032 20 10 DGCDRN O=C1CCN1c1ccc(NCc2ccc(Cl)cc2O)cc1 ZINC001652315195 1195580352 /nfs/dbraw/zinc/58/03/52/1195580352.db2.gz ZVKBUCUWDDPARY-UHFFFAOYSA-N 0 0 302.761 3.394 20 10 DGCDRN CSc1ccc(C)c(C(=O)NCc2c(O)cccc2O)c1 ZINC001652623241 1195627298 /nfs/dbraw/zinc/62/72/98/1195627298.db2.gz QRVXVONJDWZSKX-UHFFFAOYSA-N 0 0 303.383 3.058 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1c(Cl)cccc1Cl ZINC001652625481 1195627198 /nfs/dbraw/zinc/62/71/98/1195627198.db2.gz DPFXFKGUQVOBLE-UHFFFAOYSA-N 0 0 312.152 3.335 20 10 DGCDRN Oc1ccc(F)cc1CN1CC(OCCCc2ccccc2)C1 ZINC001652625634 1195627552 /nfs/dbraw/zinc/62/75/52/1195627552.db2.gz IDOKKOJMMAYRJJ-UHFFFAOYSA-N 0 0 315.388 3.365 20 10 DGCDRN Nc1c(F)cccc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001652708562 1195638827 /nfs/dbraw/zinc/63/88/27/1195638827.db2.gz HXFPZFKYDWFAFZ-UHFFFAOYSA-N 0 0 310.328 3.197 20 10 DGCDRN COC(=O)c1cnc(SCc2csc(Cl)n2)s1 ZINC001652853553 1195661583 /nfs/dbraw/zinc/66/15/83/1195661583.db2.gz KTGLNTNNNDKYLY-UHFFFAOYSA-N 0 0 306.821 3.332 20 10 DGCDRN Cc1ccc(C(=O)Nc2cc(F)c(O)cc2Cl)c(O)c1O ZINC001653076327 1195686108 /nfs/dbraw/zinc/68/61/08/1195686108.db2.gz HPGWYHGISGGLDR-UHFFFAOYSA-N 0 0 311.696 3.157 20 10 DGCDRN Cc1cc(C(=O)NCc2cccc(Cl)c2O)sc1C=O ZINC001653567160 1195735313 /nfs/dbraw/zinc/73/53/13/1195735313.db2.gz NHIFHHFUZBOHKG-UHFFFAOYSA-N 0 0 309.774 3.158 20 10 DGCDRN COc1ccc(N(CC(=O)NCC(C)(C)C)C(C)C)cc1F ZINC001653759137 1195748015 /nfs/dbraw/zinc/74/80/15/1195748015.db2.gz OUHQTPHZIOHDHF-UHFFFAOYSA-N 0 0 310.413 3.211 20 10 DGCDRN C[C@@H](NC(=O)c1c(F)ccc(O)c1O)c1cc2ccccc2o1 ZINC001654487859 1195809272 /nfs/dbraw/zinc/80/92/72/1195809272.db2.gz NZZCUOZCLZDNLP-SECBINFHSA-N 0 0 315.300 3.474 20 10 DGCDRN Cc1cc(CN(C)Cc2ncccn2)ccc1N1CCCCC1 ZINC001654634960 1195824701 /nfs/dbraw/zinc/82/47/01/1195824701.db2.gz YVLZMGVAHYWVSH-UHFFFAOYSA-N 0 0 310.445 3.407 20 10 DGCDRN C[C@@H](CCO)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001655157112 1195884108 /nfs/dbraw/zinc/88/41/08/1195884108.db2.gz OXSTXGTXWJETGB-LBPRGKRZSA-N 0 0 314.341 3.009 20 10 DGCDRN COC(=O)/C=C\c1ccc(N(C)[C@@H](C)C2(C)CC2)c([N+](=O)[O-])c1 ZINC001655223613 1195893456 /nfs/dbraw/zinc/89/34/56/1195893456.db2.gz GVVYHJXWBNBIOF-VFFGBVLKSA-N 0 0 318.373 3.406 20 10 DGCDRN CC(=O)Nc1cc(NCc2cc(F)cc(F)c2O)ccc1F ZINC001655361157 1195907926 /nfs/dbraw/zinc/90/79/26/1195907926.db2.gz NOTBZOAQNTXGRY-UHFFFAOYSA-N 0 0 310.275 3.380 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H](O)c1ccccc1F ZINC001655399605 1195912276 /nfs/dbraw/zinc/91/22/76/1195912276.db2.gz LLIHEHPFUFHEIT-AWEZNQCLSA-N 0 0 313.731 3.147 20 10 DGCDRN Cc1cccc2nc(C[NH2+]Cc3cc(Cl)cc(F)c3[O-])cn21 ZINC001655599921 1195938076 /nfs/dbraw/zinc/93/80/76/1195938076.db2.gz IHYKUWMGQUIMHF-UHFFFAOYSA-N 0 0 319.767 3.431 20 10 DGCDRN FC(F)Cn1ccc(NCc2ccc(N3CCCC3)cc2)n1 ZINC001656900667 1196081704 /nfs/dbraw/zinc/08/17/04/1196081704.db2.gz PEJGQVAUZUNEOH-UHFFFAOYSA-N 0 0 306.360 3.361 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001657195285 1196116824 /nfs/dbraw/zinc/11/68/24/1196116824.db2.gz YQHOKLASSHJIQB-DOMZBBRYSA-N 0 0 316.367 3.213 20 10 DGCDRN COC[C@H]([NH2+]Cc1cc(C)cc(Br)c1[O-])C(C)C ZINC001657247956 1196123672 /nfs/dbraw/zinc/12/36/72/1196123672.db2.gz UAZNPJCUAOUPQN-ZDUSSCGKSA-N 0 0 316.239 3.224 20 10 DGCDRN CN(C)c1ccc(CNCc2noc3cc(F)ccc23)cc1F ZINC001657867835 1196188160 /nfs/dbraw/zinc/18/81/60/1196188160.db2.gz XVTNMCXRKQVQOY-UHFFFAOYSA-N 0 0 317.339 3.462 20 10 DGCDRN CCCNC(=O)c1ccc(NCc2cc(F)cc(F)c2O)cc1 ZINC001658083628 1196210450 /nfs/dbraw/zinc/21/04/50/1196210450.db2.gz HZBZQGRUVXFGLE-UHFFFAOYSA-N 0 0 320.339 3.422 20 10 DGCDRN CCc1cccc(C[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)c1O ZINC001658202094 1196225212 /nfs/dbraw/zinc/22/52/12/1196225212.db2.gz LOBWAQWDOBGWKG-LJQANCHMSA-N 0 0 310.441 3.443 20 10 DGCDRN CN(C)C[C@H]([NH2+]Cc1cc(F)c(F)cc1[O-])c1ccc(F)cc1 ZINC001658252802 1196230606 /nfs/dbraw/zinc/23/06/06/1196230606.db2.gz GQFQNBVPJKQUPQ-INIZCTEOSA-N 0 0 324.346 3.202 20 10 DGCDRN COc1ccc(NCc2c(O)cccc2Br)nc1 ZINC001658258695 1196231109 /nfs/dbraw/zinc/23/11/09/1196231109.db2.gz YHSCFLKECUMJGM-UHFFFAOYSA-N 0 0 309.163 3.170 20 10 DGCDRN COc1cc(C)c(C[N@H+](C)[C@@H]2C[C@@](C)(OC)C2(C)C)c(O)c1 ZINC001658294271 1196237021 /nfs/dbraw/zinc/23/70/21/1196237021.db2.gz QKDCRKTVZFUUMH-SJLPKXTDSA-N 0 0 307.434 3.345 20 10 DGCDRN CC[N@@H+]1C[C@H](C)N(Cc2c([O-])ccc(Cl)c2F)C[C@H]1C ZINC001658441517 1196256456 /nfs/dbraw/zinc/25/64/56/1196256456.db2.gz IWPFDEVUOQARLA-MNOVXSKESA-N 0 0 300.805 3.099 20 10 DGCDRN O=c1[nH]ccc2cc(NCc3cccc(Cl)c3O)ccc21 ZINC001658522065 1196268802 /nfs/dbraw/zinc/26/88/02/1196268802.db2.gz JQAYYMFTMJEUQD-UHFFFAOYSA-N 0 0 300.745 3.499 20 10 DGCDRN COCCOc1ccc(CN2CCCc3cc(OC)ccc32)o1 ZINC001658788941 1196301471 /nfs/dbraw/zinc/30/14/71/1196301471.db2.gz YFGRHARRAAOXBE-UHFFFAOYSA-N 0 0 317.385 3.266 20 10 DGCDRN COc1cc(C)cc(CN(C)c2ccc3c(c2)OCO3)c1O ZINC001658807479 1196303987 /nfs/dbraw/zinc/30/39/87/1196303987.db2.gz OIZJWPULGKUNMA-UHFFFAOYSA-N 0 0 301.342 3.074 20 10 DGCDRN C[N@H+](CCc1ccc2c(c1)OCO2)Cc1ccc(F)c(F)c1[O-] ZINC001658914393 1196319322 /nfs/dbraw/zinc/31/93/22/1196319322.db2.gz RQGSWBUQZBVDPB-UHFFFAOYSA-N 0 0 321.323 3.074 20 10 DGCDRN CCCC[N@H+](CCOC)Cc1cc(F)c(N(C)C)cc1F ZINC001659153807 1196353035 /nfs/dbraw/zinc/35/30/35/1196353035.db2.gz YWMIAEROWRZFBP-UHFFFAOYSA-N 0 0 300.393 3.279 20 10 DGCDRN CCc1cccc(CN2CCN3CCOc4cccc2c43)c1O ZINC001659404350 1196379739 /nfs/dbraw/zinc/37/97/39/1196379739.db2.gz IJSRCTOUBCZJCL-UHFFFAOYSA-N 0 0 310.397 3.174 20 10 DGCDRN CC(C)C[C@H](NCc1ccc2c(c1)CCCO2)C(=O)OC(C)C ZINC001659522508 1196392194 /nfs/dbraw/zinc/39/21/94/1196392194.db2.gz FYCWGPNLNQARFV-KRWDZBQOSA-N 0 0 319.445 3.468 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]C[C@@H]1CSc2ccccc2O1 ZINC001659535354 1196392534 /nfs/dbraw/zinc/39/25/34/1196392534.db2.gz UKSIKBUYXNMBBJ-LLVKDONJSA-N 0 0 323.364 3.313 20 10 DGCDRN COC(=O)c1c(CN2CCC(F)CC2)c2cc(F)ccc2n1C ZINC001659911307 1196427627 /nfs/dbraw/zinc/42/76/27/1196427627.db2.gz OTNYWSHRFDHWAG-UHFFFAOYSA-N 0 0 322.355 3.038 20 10 DGCDRN CC1(C)CCc2onc(CNCc3cc(F)c(F)cc3O)c2C1 ZINC001659947181 1196431212 /nfs/dbraw/zinc/43/12/12/1196431212.db2.gz FMGJMNATZXFYOC-UHFFFAOYSA-N 0 0 322.355 3.463 20 10 DGCDRN C[C@@H]1CCCN(Cc2cccc(F)c2O)[C@H]1C(=O)OC(C)(C)C ZINC001660080418 1196443494 /nfs/dbraw/zinc/44/34/94/1196443494.db2.gz GCQCTUKCFXFJKT-IUODEOHRSA-N 0 0 323.408 3.474 20 10 DGCDRN CC(C)c1ccc(O)c(CN2Cc3ccccc3NC(=O)C2)c1 ZINC001660132533 1196450017 /nfs/dbraw/zinc/45/00/17/1196450017.db2.gz WINZHVCWEBGFKP-UHFFFAOYSA-N 0 0 310.397 3.470 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H](CO)c1cc(F)ccc1F ZINC001660897363 1196540054 /nfs/dbraw/zinc/54/00/54/1196540054.db2.gz AYODRQYDKQCPNI-AWEZNQCLSA-N 0 0 313.731 3.147 20 10 DGCDRN CCc1nnc([C@H](C)[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])[nH]1 ZINC001662111896 1196682221 /nfs/dbraw/zinc/68/22/21/1196682221.db2.gz DBYUFQUEMRRUHG-ZETCQYMHSA-N 0 0 315.204 3.230 20 10 DGCDRN COC(=O)Nc1cccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])c1 ZINC001662427605 1196721032 /nfs/dbraw/zinc/72/10/32/1196721032.db2.gz NRDXSSYDXJYRBS-UHFFFAOYSA-N 0 0 322.311 3.139 20 10 DGCDRN CNC(=O)c1ccc(NCc2cc(Cl)cc(F)c2O)c(C)c1 ZINC001662586899 1196731892 /nfs/dbraw/zinc/73/18/92/1196731892.db2.gz YIGMWEAJOPBEHH-UHFFFAOYSA-N 0 0 322.767 3.465 20 10 DGCDRN COc1ccc(C[C@@H]2CC[N@@H+]2Cc2cc(F)cc(F)c2[O-])cc1 ZINC001663799370 1196946620 /nfs/dbraw/zinc/94/66/20/1196946620.db2.gz MSTSFWKPPBIGPN-HNNXBMFYSA-N 0 0 319.351 3.496 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OS(=O)(=O)CCC3CC3)cc12 ZINC001663934801 1196958774 /nfs/dbraw/zinc/95/87/74/1196958774.db2.gz XZKSHOPUWCWTHH-UHFFFAOYSA-N 0 0 307.415 3.304 20 10 DGCDRN Oc1cccc(F)c1CNCc1nc(Br)cs1 ZINC001665713001 1197179367 /nfs/dbraw/zinc/17/93/67/1197179367.db2.gz XBROFTFZOPVFMK-UHFFFAOYSA-N 0 0 317.183 3.040 20 10 DGCDRN COc1ccc(O)c(CN2CCc3cc(F)cc(F)c3C2)c1 ZINC001665946983 1197219582 /nfs/dbraw/zinc/21/95/82/1197219582.db2.gz ICMULHLDEDXIBW-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN O=C(Nc1ccc2oc(=O)ccc2c1)N1Cc2cccc(O)c2C1 ZINC001666443951 1197260214 /nfs/dbraw/zinc/26/02/14/1197260214.db2.gz DBGSWSDZBLIJMO-UHFFFAOYSA-N 0 0 322.320 3.046 20 10 DGCDRN O=C(NCc1c(O)cccc1F)Nc1ccc2scnc2c1 ZINC001668053288 1197397649 /nfs/dbraw/zinc/39/76/49/1197397649.db2.gz JWRRYBRLEPLZTJ-UHFFFAOYSA-N 0 0 317.345 3.463 20 10 DGCDRN O=C(N[C@@H]1CSc2ccccc21)N1Cc2cccc(O)c2C1 ZINC001669389898 1197452585 /nfs/dbraw/zinc/45/25/85/1197452585.db2.gz LBWJLDAQZBTOIM-CQSZACIVSA-N 0 0 312.394 3.264 20 10 DGCDRN COc1cccc(C)c1NC(=O)NCc1c(O)cccc1F ZINC001669425980 1197454215 /nfs/dbraw/zinc/45/42/15/1197454215.db2.gz RXQISYGCDNXHFB-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC001669774495 1197479828 /nfs/dbraw/zinc/47/98/28/1197479828.db2.gz CDWKBQNSJONFMW-UHFFFAOYSA-N 0 0 315.329 3.239 20 10 DGCDRN C[C@H]1Cc2cc(NC(=O)NCc3c(O)cccc3F)ccc2O1 ZINC001673328056 1197649727 /nfs/dbraw/zinc/64/97/27/1197649727.db2.gz UVYVELIFRZRTIT-JTQLQIEISA-N 0 0 316.332 3.176 20 10 DGCDRN Cc1cccn2c(NC(=O)N[C@H](C)c3ccccc3O)cnc12 ZINC001673529192 1197671157 /nfs/dbraw/zinc/67/11/57/1197671157.db2.gz LVXPOAZJOKIWAJ-GFCCVEGCSA-N 0 0 310.357 3.231 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)Nc1cccnc1Cl ZINC001673797043 1197694363 /nfs/dbraw/zinc/69/43/63/1197694363.db2.gz WBSCTXFBRCJBTF-UHFFFAOYSA-N 0 0 312.156 3.416 20 10 DGCDRN COc1ccc(NC(=O)NCc2cc(C)ccc2O)c(C)c1 ZINC001674229329 1197748685 /nfs/dbraw/zinc/74/86/85/1197748685.db2.gz QJIPIEWPDQXUSE-UHFFFAOYSA-N 0 0 300.358 3.339 20 10 DGCDRN CCc1ccc(NC(=O)NCc2cccc(Cl)c2O)nc1 ZINC001674511125 1197792716 /nfs/dbraw/zinc/79/27/16/1197792716.db2.gz JONJAMCWBXMOFX-UHFFFAOYSA-N 0 0 305.765 3.325 20 10 DGCDRN Cc1cc(CNC(=O)N2CC=CC2)c(C)n1-c1cccc(C)c1 ZINC001675114326 1197987348 /nfs/dbraw/zinc/98/73/48/1197987348.db2.gz CHAMXCKWMJGYME-UHFFFAOYSA-N 0 0 309.413 3.484 20 10 DGCDRN C[C@@H](NC(=O)NCc1ccc(F)cc1F)c1ccccc1O ZINC001677579083 1198557322 /nfs/dbraw/zinc/55/73/22/1198557322.db2.gz KVTATSOKYFENPS-SNVBAGLBSA-N 0 0 306.312 3.231 20 10 DGCDRN CN(C[C@H]1CC1(C)C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC001677847709 1198594714 /nfs/dbraw/zinc/59/47/14/1198594714.db2.gz QJRBVXNAWZODDI-MRXNPFEDSA-N 0 0 315.461 3.257 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC[C@]23C[C@H]2CCCC3)cc1F ZINC001677946927 1198609253 /nfs/dbraw/zinc/60/92/53/1198609253.db2.gz FZPWNGFXXAFILE-KDOFPFPSSA-N 0 0 319.424 3.271 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)NC/C=C/Cl)cc2)CC1 ZINC001678783692 1198728052 /nfs/dbraw/zinc/72/80/52/1198728052.db2.gz WVSLRSMBULWKTA-XNWCZRBMSA-N 0 0 321.852 3.475 20 10 DGCDRN CC(C)O[C@@H]1C[C@H](NC(=O)N2Cc3cccc(O)c3C2)C1(C)C ZINC001679868369 1198831578 /nfs/dbraw/zinc/83/15/78/1198831578.db2.gz DFVUNXFJYWXEEE-JKSUJKDBSA-N 0 0 318.417 3.010 20 10 DGCDRN COc1cccc(CNC(=O)Nc2ccc3occc3c2)c1O ZINC001679916140 1198837311 /nfs/dbraw/zinc/83/73/11/1198837311.db2.gz SJHCKYLPZQVLSA-UHFFFAOYSA-N 0 0 312.325 3.469 20 10 DGCDRN CCC1(CC)[C@@H](NC(=O)N2Cc3cccc(O)c3C2)C[C@@H]1OC ZINC001680882285 1198921582 /nfs/dbraw/zinc/92/15/82/1198921582.db2.gz KTLGIZXBYZZHOG-HOTGVXAUSA-N 0 0 318.417 3.011 20 10 DGCDRN O=C(NCc1cccc2cc[nH]c21)N1Cc2cccc(O)c2C1 ZINC001681402497 1198998199 /nfs/dbraw/zinc/99/81/99/1198998199.db2.gz OIXQIAXNHAZSTF-UHFFFAOYSA-N 0 0 307.353 3.099 20 10 DGCDRN COC[C@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC001681551019 1199032991 /nfs/dbraw/zinc/03/29/91/1199032991.db2.gz BOOJHGHZEXKCBE-ZBFHGGJFSA-N 0 0 321.465 3.031 20 10 DGCDRN Cc1cscc1CNC(=O)NCc1cccc(Cl)c1O ZINC001682214606 1199142899 /nfs/dbraw/zinc/14/28/99/1199142899.db2.gz NSZGFZWGDMZKGR-UHFFFAOYSA-N 0 0 310.806 3.415 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)cc1F ZINC001683336879 1199261071 /nfs/dbraw/zinc/26/10/71/1199261071.db2.gz SELQPERJVMGGDX-ILXRZTDVSA-N 0 0 319.424 3.127 20 10 DGCDRN C[C@@H](NC(=O)NCc1cccc(Cl)c1O)c1ccns1 ZINC001684467695 1199386574 /nfs/dbraw/zinc/38/65/74/1199386574.db2.gz QDHAWWBBBAKLAW-MRVPVSSYSA-N 0 0 311.794 3.063 20 10 DGCDRN CCc1nnc(N(C)Cc2ccccc2O)n1[C@@H]1C[C@H]1C(C)C ZINC001762870913 1199724905 /nfs/dbraw/zinc/72/49/05/1199724905.db2.gz ILSMGQIHUQFLOY-LSDHHAIUSA-N 0 0 314.433 3.400 20 10 DGCDRN Cc1ccc2cccc(C(=O)NCCc3ccc(N)cc3)c2n1 ZINC000237895788 1202768821 /nfs/dbraw/zinc/76/88/21/1202768821.db2.gz MUGULQOYWQWKFD-UHFFFAOYSA-N 0 0 305.381 3.098 20 10 DGCDRN CCCS(=O)(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000192628445 1203290094 /nfs/dbraw/zinc/29/00/94/1203290094.db2.gz DDUJBOPPKIXAGH-UHFFFAOYSA-N 0 0 303.383 3.069 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000244258059 1203610614 /nfs/dbraw/zinc/61/06/14/1203610614.db2.gz WKZFEEOHIMUVBQ-UHFFFAOYSA-N 0 0 324.424 3.356 20 10 DGCDRN CCCCn1c(CC2CC2)nnc1N(C)Cc1ccccc1O ZINC001728064274 1204321397 /nfs/dbraw/zinc/32/13/97/1204321397.db2.gz SFVOYBYEBRFRCE-UHFFFAOYSA-N 0 0 314.433 3.373 20 10 DGCDRN Cc1cc([C@@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)c(C)o1 ZINC000180715338 1204333195 /nfs/dbraw/zinc/33/31/95/1204333195.db2.gz DGPAWKHTPNBZKL-OKPNEXGHSA-N 0 0 301.342 3.198 20 10 DGCDRN CC[N@H+](Cc1ccc(N2CCCCC2)c(C)c1)[C@@H](C)C(=O)[O-] ZINC001589736610 950544925 /nfs/dbraw/zinc/54/49/25/950544925.db2.gz GOYKEIFJCBLPDN-HNNXBMFYSA-N 0 0 304.434 3.280 20 10 DGCDRN O=C([O-])[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ccccc21 ZINC001594903444 954652822 /nfs/dbraw/zinc/65/28/22/954652822.db2.gz UXRCJQSUVXWFHV-DLBZAZTESA-N 0 0 309.365 3.024 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(C(=O)[O-])s1)c1ccc(N(C)C)cc1 ZINC001589131252 956192314 /nfs/dbraw/zinc/19/23/14/956192314.db2.gz GFQHEAYNMVLXEV-NSHDSACASA-N 0 0 304.415 3.363 20 10 DGCDRN COc1ccc(C[NH2+][C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1C ZINC001594094375 958386700 /nfs/dbraw/zinc/38/67/00/958386700.db2.gz IZMAGBPSZVEUCA-IAGOWNOFSA-N 0 0 311.381 3.406 20 10 DGCDRN CCCC[N@H+](Cc1cc(C(=O)[O-])co1)Cc1ccccc1O ZINC001595749333 982423264 /nfs/dbraw/zinc/42/32/64/982423264.db2.gz YKVXCYJBMIGLFV-UHFFFAOYSA-N 0 0 303.358 3.486 20 10 DGCDRN CCC[N@H+](Cc1ccccc1O)Cc1ccccc1CC(=O)[O-] ZINC001595891180 982925069 /nfs/dbraw/zinc/92/50/69/982925069.db2.gz NSBIXKYUWFIRNS-UHFFFAOYSA-N 0 0 313.397 3.432 20 10 DGCDRN CCC[N@H+](Cc1ccccc1O)[C@@H](C)c1nc(C(=O)[O-])co1 ZINC001595891476 982926555 /nfs/dbraw/zinc/92/65/55/982926555.db2.gz UHUYHZRRSYCWQI-NSHDSACASA-N 0 0 304.346 3.052 20 10 DGCDRN C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001594536399 986152526 /nfs/dbraw/zinc/15/25/26/986152526.db2.gz QGECZEJZVOMTBD-GRYCIOLGSA-N 0 0 318.392 3.492 20 10 DGCDRN CCOc1cccc(C[N@H+](C)Cc2cc(C(=O)[O-])c(C)o2)c1O ZINC001597153477 986937266 /nfs/dbraw/zinc/93/72/66/986937266.db2.gz IZVUUTZUVJJQDW-UHFFFAOYSA-N 0 0 319.357 3.023 20 10 DGCDRN CN(C)c1ccc(C[N@H+](C)Cc2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC001598519190 992657731 /nfs/dbraw/zinc/65/77/31/992657731.db2.gz JVGVELDLKZRGTG-ZHACJKMWSA-N 0 0 314.385 3.075 20 10 DGCDRN C[N@H+](Cc1ccccc1O)[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001598530811 992777645 /nfs/dbraw/zinc/77/76/45/992777645.db2.gz TYZSHGMBVCMZRB-HNNXBMFYSA-N 0 0 305.761 3.303 20 10 DGCDRN C[C@H]([NH2+]CC(C)(C)c1cccnc1)c1cc(C(=O)[O-])ccc1O ZINC001593241266 994437271 /nfs/dbraw/zinc/43/72/71/994437271.db2.gz YYSYDKQNVNNNLE-LBPRGKRZSA-N 0 0 314.385 3.114 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1CC12CCSCC2)c1cc(C(=O)[O-])ccc1O ZINC001593252044 994501337 /nfs/dbraw/zinc/50/13/37/994501337.db2.gz MNLSEOIZVSQRDQ-YPMHNXCESA-N 0 0 321.442 3.274 20 10 DGCDRN C[C@H]([NH2+]CCN1[C@@H](C)CCC[C@@H]1C)c1cc(C(=O)[O-])ccc1O ZINC001593266443 994580048 /nfs/dbraw/zinc/58/00/48/994580048.db2.gz DPLGSKOCQOGONO-IHRRRGAJSA-N 0 0 320.433 3.004 20 10 DGCDRN C[C@H]([NH2+]Cc1cccc2cccnc21)c1cc(C(=O)[O-])ccc1O ZINC001593303225 994733443 /nfs/dbraw/zinc/73/34/43/994733443.db2.gz FOHDDHBUPYWUHJ-LBPRGKRZSA-N 0 0 322.364 3.489 20 10 DGCDRN COc1cc(C)cc(C[NH2+]CCCCC2(C(=O)[O-])CCC2)c1O ZINC001599393208 997076597 /nfs/dbraw/zinc/07/65/97/997076597.db2.gz YWXSYFSZSHYZSA-UHFFFAOYSA-N 0 0 321.417 3.224 20 10 DGCDRN COc1cc(C[NH2+]C(C)(C)CC(=O)[O-])c(O)c(C(C)(C)C)c1 ZINC001599416303 997518437 /nfs/dbraw/zinc/51/84/37/997518437.db2.gz RXBLHWOPLLELPW-UHFFFAOYSA-N 0 0 309.406 3.041 20 10 DGCDRN COc1ccc(C)cc1C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001599534718 997721567 /nfs/dbraw/zinc/72/15/67/997721567.db2.gz RYTRTFFIQQTRTF-GFCCVEGCSA-N 0 0 315.369 3.258 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@]1(C)O ZINC001203574473 1090759217 /nfs/dbraw/zinc/75/92/17/1090759217.db2.gz XVWRLBURNRDLRK-YMTOWFKASA-N 0 0 304.217 3.292 20 10 DGCDRN Oc1cccc2c1CN(Cc1c[nH]c(Br)c1)CC2 ZINC001233437968 1098332403 /nfs/dbraw/zinc/33/24/03/1098332403.db2.gz VTHJMBMLXHIULJ-UHFFFAOYSA-N 0 0 307.191 3.041 20 10 DGCDRN C/C(=C\c1cccnc1)C(=O)N(C)c1cnc2ccccc2n1 ZINC001129363699 1081713442 /nfs/dbraw/zinc/71/34/42/1081713442.db2.gz ZJPVUXHIULUGNA-JLHYYAGUSA-N 0 0 304.353 3.091 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cc(-c3cccs3)on2)c1 ZINC001167291102 1081910994 /nfs/dbraw/zinc/91/09/94/1081910994.db2.gz ULFUFXBJFOBIMH-UHFFFAOYSA-N 0 0 314.366 3.347 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ncc(Cc3ccccc3)o2)c1 ZINC001167293472 1081913118 /nfs/dbraw/zinc/91/31/18/1081913118.db2.gz FLDBQJUFYFFVIX-UHFFFAOYSA-N 0 0 322.364 3.209 20 10 DGCDRN COc1ccc2[nH]c(C)c(C(=O)NCc3cc(C)ccc3O)c2c1 ZINC001167293496 1081913430 /nfs/dbraw/zinc/91/34/30/1081913430.db2.gz GOSFJUBAHWEZDD-UHFFFAOYSA-N 0 0 324.380 3.429 20 10 DGCDRN O=C1c2ccccc2C(=O)c2c(Nc3nccs3)ccc(O)c21 ZINC001210996976 1082056416 /nfs/dbraw/zinc/05/64/16/1082056416.db2.gz LPDLULKNTJWBBA-UHFFFAOYSA-N 0 0 322.345 3.368 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cnc2ccccc2c1 ZINC000588403265 1082146985 /nfs/dbraw/zinc/14/69/85/1082146985.db2.gz IIYLJHWEURTQDW-VURMDHGXSA-N 0 0 306.321 3.298 20 10 DGCDRN O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000588405449 1082149734 /nfs/dbraw/zinc/14/97/34/1082149734.db2.gz RVLGLUCKYIVUFT-WAPJZHGLSA-N 0 0 321.336 3.140 20 10 DGCDRN CSc1cccc(N(C)C(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000588406204 1082152370 /nfs/dbraw/zinc/15/23/70/1082152370.db2.gz LYXVMQJEPAYKER-CLFYSBASSA-N 0 0 315.394 3.496 20 10 DGCDRN CC[C@H](c1ccncc1)N(C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588407245 1082154674 /nfs/dbraw/zinc/15/46/74/1082154674.db2.gz RUSSNRLKVYIQQS-ZQMJAJRESA-N 0 0 312.369 3.116 20 10 DGCDRN Cc1cc(Cl)cc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1O ZINC000588407647 1082162180 /nfs/dbraw/zinc/16/21/80/1082162180.db2.gz VTLGUDLQPLBHGS-HYXAFXHYSA-N 0 0 319.744 3.417 20 10 DGCDRN Oc1cc(Cl)ccc1CN1CCO[C@H](c2ccncc2)C1 ZINC001140466117 1082278837 /nfs/dbraw/zinc/27/88/37/1082278837.db2.gz XRHRNCMELMRQSX-INIZCTEOSA-N 0 0 304.777 3.014 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\C1CCCCC1 ZINC000588506447 1082500648 /nfs/dbraw/zinc/50/06/48/1082500648.db2.gz GLLGDACHCYRQKI-CHOZFAJLSA-N 0 0 303.402 3.282 20 10 DGCDRN Cc1ncc(/C=C/C(=O)N2CCOc3c(F)c(F)ccc32)s1 ZINC001129796561 1082502984 /nfs/dbraw/zinc/50/29/84/1082502984.db2.gz CXIPSZRUPYHPRX-GORDUTHDSA-N 0 0 322.336 3.169 20 10 DGCDRN O=C1/C(=C/c2ccc(F)nc2)SC(=S)N1c1cccnc1 ZINC000588523657 1082547745 /nfs/dbraw/zinc/54/77/45/1082547745.db2.gz LXPDNSNOCXFCHQ-WDZFZDKYSA-N 0 0 317.370 3.022 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H](CO)Cc1ccccc1 ZINC001648916658 1082565968 /nfs/dbraw/zinc/56/59/68/1082565968.db2.gz DWRIBBKJPYNUOM-CYBMUJFWSA-N 0 0 323.795 3.126 20 10 DGCDRN CCOC(=O)[C@@H]1C2CCC(CC2)N1Cc1ccc(N(C)C)cc1 ZINC001170534337 1082637965 /nfs/dbraw/zinc/63/79/65/1082637965.db2.gz BOXYVZMVNNIERQ-VJFUWPCTSA-N 0 0 316.445 3.059 20 10 DGCDRN C/C=C(/CC)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000588574550 1082689832 /nfs/dbraw/zinc/68/98/32/1082689832.db2.gz PWFVMKOACHYYKP-CQPUUCJISA-N 0 0 304.459 3.212 20 10 DGCDRN Cc1cc(CNC(=O)[C@@H]2C[C@@H]2F)c(C)n1-c1cccc(C)c1 ZINC001132043739 1082800172 /nfs/dbraw/zinc/80/01/72/1082800172.db2.gz LVUYQOZUPQEWNT-SJORKVTESA-N 0 0 300.377 3.377 20 10 DGCDRN Cc1cc(CNC(=O)[C@H]2C[C@@H]2F)c(C)n1-c1cccc(C)c1 ZINC001132043737 1082801041 /nfs/dbraw/zinc/80/10/41/1082801041.db2.gz LVUYQOZUPQEWNT-IRXDYDNUSA-N 0 0 300.377 3.377 20 10 DGCDRN C[C@H](Cc1ccccn1)[NH2+]Cc1cccc(Br)c1[O-] ZINC000694083187 1082910170 /nfs/dbraw/zinc/91/01/70/1082910170.db2.gz WFVWSWDALLLSOM-LLVKDONJSA-N 0 0 321.218 3.271 20 10 DGCDRN CC(=O)C[C@H](C)C(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001181259378 1083437568 /nfs/dbraw/zinc/43/75/68/1083437568.db2.gz YJGWHJFNJKIUBI-SJCJKPOMSA-N 0 0 317.429 3.364 20 10 DGCDRN CCc1cccc(CNc2ccc3ccc(=O)n(C)c3c2)c1O ZINC001181257879 1083446162 /nfs/dbraw/zinc/44/61/62/1083446162.db2.gz VLRYEIASNCCTAJ-UHFFFAOYSA-N 0 0 308.381 3.419 20 10 DGCDRN O=C(CCc1ccc(O)c(O)c1)Nc1nc(C2CC2)cs1 ZINC001182153660 1083634252 /nfs/dbraw/zinc/63/42/52/1083634252.db2.gz DHCBIGVIAPJYDJ-UHFFFAOYSA-N 0 0 304.371 3.003 20 10 DGCDRN C[C@@H]1C[C@@H](NC(=O)CCc2ccc(O)c(O)c2)CC(C)(C)C1 ZINC001182155126 1083634408 /nfs/dbraw/zinc/63/44/08/1083634408.db2.gz CNQFRFWRCPQOPF-TZMCWYRMSA-N 0 0 305.418 3.361 20 10 DGCDRN Cc1cnc(Cl)c(NC(=O)CCc2ccc(O)c(O)c2)c1 ZINC001182154400 1083635069 /nfs/dbraw/zinc/63/50/69/1083635069.db2.gz ZHWGHDSPMKZPBX-UHFFFAOYSA-N 0 0 306.749 3.026 20 10 DGCDRN C[C@@H](CC(=O)c1ccccc1)C(=O)N1CCc2cccc(O)c2C1 ZINC001182166741 1083638149 /nfs/dbraw/zinc/63/81/49/1083638149.db2.gz FYTMSGAIZWKBQH-AWEZNQCLSA-N 0 0 323.392 3.186 20 10 DGCDRN COc1ccc2c(c1)CC[N@@H+](Cc1cc(F)cc(F)c1[O-])C2 ZINC001182910706 1083838551 /nfs/dbraw/zinc/83/85/51/1083838551.db2.gz PGRYXBFHJFNTKX-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC001182918250 1083840872 /nfs/dbraw/zinc/84/08/72/1083840872.db2.gz KVSSKGPCVFLKNW-PXAZEXFGSA-N 0 0 311.372 3.452 20 10 DGCDRN C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@@H]1CO ZINC001203573484 1083991376 /nfs/dbraw/zinc/99/13/76/1083991376.db2.gz BXRGYPVYSGTIGE-TVQRCGJNSA-N 0 0 304.217 3.292 20 10 DGCDRN [O-]c1c(C[N@@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)ccc(F)c1F ZINC001183801438 1084035017 /nfs/dbraw/zinc/03/50/17/1084035017.db2.gz RCEBOHVYHFGYML-KBXCAEBGSA-N 0 0 301.336 3.444 20 10 DGCDRN CCc1ccc2c(c1)CCN(C(=O)c1ccc(C)c(O)c1O)C2 ZINC001648931401 1084123685 /nfs/dbraw/zinc/12/36/85/1084123685.db2.gz LJPZCBVNWIIVFO-UHFFFAOYSA-N 0 0 311.381 3.167 20 10 DGCDRN CC[C@@](C)(O)CC(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001184268353 1084140405 /nfs/dbraw/zinc/14/04/05/1084140405.db2.gz XYELXJLXTBPLEF-IEBWSBKVSA-N 0 0 319.445 3.300 20 10 DGCDRN CN(C)c1nccc2c1CN(Cc1ccc(Cl)cc1O)CC2 ZINC001184364184 1084157143 /nfs/dbraw/zinc/15/71/43/1084157143.db2.gz NQCOGEZUZAYJAD-UHFFFAOYSA-N 0 0 317.820 3.065 20 10 DGCDRN Cc1cc(C)c(CNC(=O)NCc2ccc(F)cc2)c(O)c1 ZINC001185491429 1084466746 /nfs/dbraw/zinc/46/67/46/1084466746.db2.gz UVOOMXJECNLTDU-UHFFFAOYSA-N 0 0 302.349 3.148 20 10 DGCDRN Cc1c(C)c(NS(=O)(=O)c2cccc(F)c2C)ccc1O ZINC001185828398 1084535021 /nfs/dbraw/zinc/53/50/21/1084535021.db2.gz DKZNSLHMCGGEMX-UHFFFAOYSA-N 0 0 309.362 3.257 20 10 DGCDRN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCc1cc(Cl)ccc1O ZINC001186952372 1084730609 /nfs/dbraw/zinc/73/06/09/1084730609.db2.gz MCNBVAPZQNCSQW-UHFFFAOYSA-N 0 0 323.692 3.474 20 10 DGCDRN CCn1cc(Cl)c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC001269587118 1085479479 /nfs/dbraw/zinc/47/94/79/1085479479.db2.gz CATGSKAZWRMOTR-NSHDSACASA-N 0 0 320.824 3.113 20 10 DGCDRN Cc1cc(Cl)nc(C)c1NCCc1cc(O)c(O)cc1O ZINC001168006457 1086154993 /nfs/dbraw/zinc/15/49/93/1086154993.db2.gz WRFILVKDAZTZMG-UHFFFAOYSA-N 0 0 308.765 3.123 20 10 DGCDRN Oc1cc(O)c(CCNc2ccc3[nH]ccc3c2F)cc1O ZINC001168014639 1086274001 /nfs/dbraw/zinc/27/40/01/1086274001.db2.gz WWECHFVWBBQJST-UHFFFAOYSA-N 0 0 302.305 3.078 20 10 DGCDRN C[C@H](Cc1ccccc1Cl)NC(=O)Cc1ccc(O)c(O)c1 ZINC001141749973 1086401120 /nfs/dbraw/zinc/40/11/20/1086401120.db2.gz BHDXXDRMXPTLTP-LLVKDONJSA-N 0 0 319.788 3.041 20 10 DGCDRN CN(Cc1cccc2c1OC(F)(F)O2)c1ccc2c(c1)OCO2 ZINC001168214691 1087059369 /nfs/dbraw/zinc/05/93/69/1087059369.db2.gz HNTSDWGHACLBOV-UHFFFAOYSA-N 0 0 321.279 3.373 20 10 DGCDRN CCOC(=O)c1ccc(OC)c(Nc2cccc(O)c2O)c1 ZINC001211979061 1087116605 /nfs/dbraw/zinc/11/66/05/1087116605.db2.gz MWWMWKMHGGUEPN-UHFFFAOYSA-N 0 0 303.314 3.027 20 10 DGCDRN Cc1cccnc1O[C@H]1CC[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142530408 1087278728 /nfs/dbraw/zinc/27/87/28/1087278728.db2.gz HCWJFIUEPDXAMN-ZDUSSCGKSA-N 0 0 320.339 3.027 20 10 DGCDRN COc1cc2c(cc1OC)CN(Cc1cc(F)c(F)cc1O)C2 ZINC001142534643 1087279645 /nfs/dbraw/zinc/27/96/45/1087279645.db2.gz QQMUQPOQSMPXPR-UHFFFAOYSA-N 0 0 321.323 3.203 20 10 DGCDRN C/C(=C/C(=O)N1C[C@@H](C)Sc2ccccc21)c1cnccn1 ZINC001126993798 1087435282 /nfs/dbraw/zinc/43/52/82/1087435282.db2.gz ZVTFXHRDRLHERZ-KIWPFMIBSA-N 0 0 311.410 3.407 20 10 DGCDRN C[C@@H](NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1ccccc1O ZINC001151886107 1087810298 /nfs/dbraw/zinc/81/02/98/1087810298.db2.gz VJXOAEGNRYOCSQ-QLJPJBMISA-N 0 0 317.772 3.227 20 10 DGCDRN C[C@H](NC(=O)c1ncc(Cc2ccccc2)o1)c1ccccc1O ZINC001151892354 1087814864 /nfs/dbraw/zinc/81/48/64/1087814864.db2.gz OSZZIIQYEVYGPT-ZDUSSCGKSA-N 0 0 322.364 3.462 20 10 DGCDRN C[C@H](NC(=O)/C=C\c1ccc(Cl)nc1)c1ccccc1O ZINC001151900263 1087820599 /nfs/dbraw/zinc/82/05/99/1087820599.db2.gz NJOWNHLIRBBHSV-DVBBHNHCSA-N 0 0 302.761 3.331 20 10 DGCDRN CN(Cc1nc(Br)cs1)Cc1ccccc1O ZINC001137782629 1087835774 /nfs/dbraw/zinc/83/57/74/1087835774.db2.gz ZKJJQSWEDSPPDE-UHFFFAOYSA-N 0 0 313.220 3.243 20 10 DGCDRN CC(C)(C)OC(=O)c1ccnc(NCc2ccc(O)c(O)c2)c1 ZINC001158994128 1088123976 /nfs/dbraw/zinc/12/39/76/1088123976.db2.gz DEOCJLXFGIFDFK-UHFFFAOYSA-N 0 0 316.357 3.060 20 10 DGCDRN O=[N+]([O-])c1cccc2nc(NCc3ccc(O)c(O)c3)ccc21 ZINC001158995744 1088125419 /nfs/dbraw/zinc/12/54/19/1088125419.db2.gz NIVDKFOHMBKLNY-UHFFFAOYSA-N 0 0 311.297 3.166 20 10 DGCDRN Oc1ccc(CNc2nnc(Cl)c3c2CCCC3)cc1O ZINC001158995753 1088126572 /nfs/dbraw/zinc/12/65/72/1088126572.db2.gz NVNJEJKZMVRQOE-UHFFFAOYSA-N 0 0 305.765 3.032 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1CCOc2ccccc21 ZINC001159034066 1088152451 /nfs/dbraw/zinc/15/24/51/1088152451.db2.gz QLCDZOTZUALMOM-CYBMUJFWSA-N 0 0 317.772 3.228 20 10 DGCDRN CCc1cccc(OCC(=O)NCc2cccc(Cl)c2O)c1 ZINC001159034638 1088153604 /nfs/dbraw/zinc/15/36/04/1088153604.db2.gz ZAXTXPZEGJBAGL-UHFFFAOYSA-N 0 0 319.788 3.303 20 10 DGCDRN Cc1cccc2c1CC(C)(C)N(C(=O)c1cccc(O)c1O)C2 ZINC001159039251 1088155734 /nfs/dbraw/zinc/15/57/34/1088155734.db2.gz VGVDTMAEXFXDFE-UHFFFAOYSA-N 0 0 311.381 3.383 20 10 DGCDRN C/C(=C/c1ccccn1)C(=O)NCc1cccc(Cl)c1O ZINC001159041329 1088156321 /nfs/dbraw/zinc/15/63/21/1088156321.db2.gz IHOXIVDPCFDNEZ-LUAWRHEFSA-N 0 0 302.761 3.160 20 10 DGCDRN Cc1cnc(NCc2cc(Cl)c3cccnc3c2O)nc1 ZINC001168522271 1088526687 /nfs/dbraw/zinc/52/66/87/1088526687.db2.gz DSFKFLMZMZGJFD-UHFFFAOYSA-N 0 0 300.749 3.304 20 10 DGCDRN Nc1cncc(NCc2cc(Cl)c3cccnc3c2O)c1 ZINC001168522848 1088533638 /nfs/dbraw/zinc/53/36/38/1088533638.db2.gz JVMUATLELCVXRD-UHFFFAOYSA-N 0 0 300.749 3.183 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001160080788 1088633555 /nfs/dbraw/zinc/63/35/55/1088633555.db2.gz RWPDLVWPCVHVOL-GZBFAFLISA-N 0 0 316.426 3.205 20 10 DGCDRN Oc1cc2ccccc2cc1CNc1cncc(-n2ccnc2)n1 ZINC001160207353 1088696792 /nfs/dbraw/zinc/69/67/92/1088696792.db2.gz YPZCKCAAQBLVDF-UHFFFAOYSA-N 0 0 317.352 3.133 20 10 DGCDRN CCOC(=O)c1ccc(NCc2cc3ccccc3cc2O)nn1 ZINC001160205619 1088697046 /nfs/dbraw/zinc/69/70/46/1088697046.db2.gz DLWSMIQRABNCDY-UHFFFAOYSA-N 0 0 323.352 3.124 20 10 DGCDRN CCOc1c(Cl)ncnc1N(CC)Cc1ccccc1O ZINC001154888483 1088810075 /nfs/dbraw/zinc/81/00/75/1088810075.db2.gz FLDQYAOAFPDWKU-UHFFFAOYSA-N 0 0 307.781 3.261 20 10 DGCDRN CCN(Cc1ccccc1O)c1ccc(-c2ccncc2)nn1 ZINC001154890892 1088812743 /nfs/dbraw/zinc/81/27/43/1088812743.db2.gz UTXOSNPEXGJJHK-UHFFFAOYSA-N 0 0 306.369 3.271 20 10 DGCDRN CCN(Cc1ccccc1O)c1ncc([N+](=O)[O-])cc1Cl ZINC001154889846 1088812764 /nfs/dbraw/zinc/81/27/64/1088812764.db2.gz JAXQHFURUVJAIH-UHFFFAOYSA-N 0 0 307.737 3.375 20 10 DGCDRN CCN(Cc1ccccc1O)c1nc(Cl)nc2ncccc21 ZINC001154889638 1088813099 /nfs/dbraw/zinc/81/30/99/1088813099.db2.gz BGPNUXRJEMFKNC-UHFFFAOYSA-N 0 0 314.776 3.410 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2[nH]ccc2cn1 ZINC001154962813 1088856127 /nfs/dbraw/zinc/85/61/27/1088856127.db2.gz FJEGRZVWYOLCSB-UHFFFAOYSA-N 0 0 322.412 3.291 20 10 DGCDRN CCOC(=O)c1cc(C)cc(NCc2cccc(C)c2O)n1 ZINC001160765205 1088947790 /nfs/dbraw/zinc/94/77/90/1088947790.db2.gz WOORPJDDBPYGBZ-UHFFFAOYSA-N 0 0 300.358 3.193 20 10 DGCDRN Cc1cccc(CNc2cnc3cc([N+](=O)[O-])ccc3n2)c1O ZINC001160765073 1088948822 /nfs/dbraw/zinc/94/88/22/1088948822.db2.gz RADCJEWATKXMDU-UHFFFAOYSA-N 0 0 310.313 3.164 20 10 DGCDRN COC(=O)c1cc(Cl)nc(NCc2cccc(C)c2O)c1 ZINC001160764508 1088949183 /nfs/dbraw/zinc/94/91/83/1088949183.db2.gz KBIRDWTYGBWCRU-UHFFFAOYSA-N 0 0 306.749 3.148 20 10 DGCDRN Cc1cc(C(F)(F)NCc2cccc(C)c2O)c(Cl)nn1 ZINC001160769972 1088951298 /nfs/dbraw/zinc/95/12/98/1088951298.db2.gz OHICGFHPSWHWGI-UHFFFAOYSA-N 0 0 313.735 3.292 20 10 DGCDRN CCCNC(=O)c1ccc(NCc2c(C)cc(C)cc2O)nc1 ZINC001160811080 1088973468 /nfs/dbraw/zinc/97/34/68/1088973468.db2.gz FBZJMIWSKRVMOB-UHFFFAOYSA-N 0 0 313.401 3.156 20 10 DGCDRN Cc1cc(C)c(CNc2nccc3c2C(=O)OC3(C)C)c(O)c1 ZINC001160809931 1088975199 /nfs/dbraw/zinc/97/51/99/1088975199.db2.gz DWUDEPKFNJRZAV-UHFFFAOYSA-N 0 0 312.369 3.422 20 10 DGCDRN C[C@@H]1CCC[C@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001155458418 1089120259 /nfs/dbraw/zinc/12/02/59/1089120259.db2.gz PEMPLZFJMXCNOZ-ZJUUUORDSA-N 0 0 305.399 3.479 20 10 DGCDRN COc1ccc(CNC(=O)c2cccc3cc(O)ccc32)c(O)c1 ZINC001155575800 1089171191 /nfs/dbraw/zinc/17/11/91/1089171191.db2.gz YIHAYRZRBCUCGM-UHFFFAOYSA-N 0 0 323.348 3.190 20 10 DGCDRN COc1ccc(CNC(=O)[C@@H](C)c2ccc(Cl)cc2)c(O)c1 ZINC001155574209 1089171206 /nfs/dbraw/zinc/17/12/06/1089171206.db2.gz GXVTXYJTNBFBCL-NSHDSACASA-N 0 0 319.788 3.474 20 10 DGCDRN CCON(CC1CCCCC1)C(=O)c1ccc(C)c(O)c1O ZINC001161350288 1089205319 /nfs/dbraw/zinc/20/53/19/1089205319.db2.gz SLFAHKCDRWLFTA-UHFFFAOYSA-N 0 0 307.390 3.380 20 10 DGCDRN Cc1ccc2ncnc(N3CCCc4cc(O)c(O)cc4C3)c2c1 ZINC001155932656 1089303890 /nfs/dbraw/zinc/30/38/90/1089303890.db2.gz BBMDPKZFYHWMME-UHFFFAOYSA-N 0 0 321.380 3.302 20 10 DGCDRN Cc1ccc(CC(C)(C)NC(=O)c2ccc(C)c(O)c2O)cc1 ZINC001162235406 1089624896 /nfs/dbraw/zinc/62/48/96/1089624896.db2.gz DOHJBGGFABKPJK-UHFFFAOYSA-N 0 0 313.397 3.466 20 10 DGCDRN Oc1ccccc1CNc1ncnc2c1ncn2-c1ccccc1 ZINC001162314454 1089671163 /nfs/dbraw/zinc/67/11/63/1089671163.db2.gz VXIWVZXFJZWPGV-UHFFFAOYSA-N 0 0 317.352 3.133 20 10 DGCDRN CN(C)c1ccc(CN(C)c2ncc3cc(F)ccc3n2)cc1 ZINC001156920734 1089743157 /nfs/dbraw/zinc/74/31/57/1089743157.db2.gz KFNIQOWCDQQWDB-UHFFFAOYSA-N 0 0 310.376 3.471 20 10 DGCDRN C=C(OCC)c1ccc(N(C)Cc2ccc(N(C)C)cc2)nn1 ZINC001156923488 1089745249 /nfs/dbraw/zinc/74/52/49/1089745249.db2.gz FCYYCQNPTGNYRP-UHFFFAOYSA-N 0 0 312.417 3.186 20 10 DGCDRN COc1nnc(N(C)Cc2ccc(N(C)C)cc2)c2ccccc21 ZINC001156921416 1089746333 /nfs/dbraw/zinc/74/63/33/1089746333.db2.gz ZYADBYZGGKAIGU-UHFFFAOYSA-N 0 0 322.412 3.341 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)C1(Br)CC1 ZINC001157041659 1089796089 /nfs/dbraw/zinc/79/60/89/1089796089.db2.gz KWSIIMDOBIVDTN-UHFFFAOYSA-N 0 0 320.186 3.089 20 10 DGCDRN CCc1cncc(C(=O)NCc2c(O)ccc3ccccc32)c1 ZINC001157041996 1089797443 /nfs/dbraw/zinc/79/74/43/1089797443.db2.gz SAUKMGMQHSQSJL-UHFFFAOYSA-N 0 0 306.365 3.433 20 10 DGCDRN O=C(COCC1CCCC1)NCc1c(O)ccc2ccccc21 ZINC001157042061 1089797817 /nfs/dbraw/zinc/79/78/17/1089797817.db2.gz VLOYNAMLKCHTAK-UHFFFAOYSA-N 0 0 313.397 3.368 20 10 DGCDRN COC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236793576 1089885181 /nfs/dbraw/zinc/88/51/81/1089885181.db2.gz LFZBFQLIBTXAMS-VIFPVBQESA-N 0 0 318.200 3.084 20 10 DGCDRN CCc1cc2c(ccnc2NCCc2cc(O)c(O)cc2O)o1 ZINC001157247667 1089891553 /nfs/dbraw/zinc/89/15/53/1089891553.db2.gz WQJCFRCVLSSBKZ-UHFFFAOYSA-N 0 0 314.341 3.162 20 10 DGCDRN COc1cc(O)c(CN2CC[C@](C)(F)[C@@H](F)C2)c(Cl)c1 ZINC001236800081 1089908872 /nfs/dbraw/zinc/90/88/72/1089908872.db2.gz WROAASVGRUIXHC-KBPBESRZSA-N 0 0 305.752 3.326 20 10 DGCDRN CCOC(=O)c1ccc2ncnc(NCc3ccc(N)cc3)c2c1 ZINC001162785636 1089954003 /nfs/dbraw/zinc/95/40/03/1089954003.db2.gz LKVGVQKZNKRRGU-UHFFFAOYSA-N 0 0 322.368 3.001 20 10 DGCDRN CCOC(=O)c1nc(NCc2ccc(N)cc2)ccc1Cl ZINC001162787253 1089956826 /nfs/dbraw/zinc/95/68/26/1089956826.db2.gz HOCWSACSQSEEOH-UHFFFAOYSA-N 0 0 305.765 3.106 20 10 DGCDRN Nc1ccc(NCc2cc(Cl)c3cccnc3c2O)nc1 ZINC001157724353 1090088261 /nfs/dbraw/zinc/08/82/61/1090088261.db2.gz LXAOIPAGSUQHBY-UHFFFAOYSA-N 0 0 300.749 3.183 20 10 DGCDRN Nc1cccnc1NCc1cc(Cl)c2cccnc2c1O ZINC001157723934 1090088731 /nfs/dbraw/zinc/08/87/31/1090088731.db2.gz FOSQGWZAZQOXFX-UHFFFAOYSA-N 0 0 300.749 3.183 20 10 DGCDRN COc1ccc(NCc2cc(Cl)c3cccnc3c2O)nn1 ZINC001157723952 1090089459 /nfs/dbraw/zinc/08/94/59/1090089459.db2.gz GNVUFPSRELALLA-UHFFFAOYSA-N 0 0 316.748 3.005 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2Nc1ncnc2c1CNC2 ZINC001163486360 1090197313 /nfs/dbraw/zinc/19/73/13/1090197313.db2.gz IPNQDNAUDWZBDM-KRWDZBQOSA-N 0 0 324.428 3.138 20 10 DGCDRN Oc1cc(Cl)c(F)cc1CN1CC2(C1)C[C@H](F)CS2 ZINC001237950181 1090331150 /nfs/dbraw/zinc/33/11/50/1090331150.db2.gz QUKHXHHUPOLNHI-VIFPVBQESA-N 0 0 305.777 3.214 20 10 DGCDRN c1snnc1-c1nc(-c2ccccc2N2CCCCC2)no1 ZINC001212362210 1090575059 /nfs/dbraw/zinc/57/50/59/1090575059.db2.gz QINJLPZKWPEAKV-UHFFFAOYSA-N 0 0 313.386 3.245 20 10 DGCDRN Cc1cccc(-c2noc(-c3csnn3)n2)c1Br ZINC001212362415 1090576539 /nfs/dbraw/zinc/57/65/39/1090576539.db2.gz SCANYWQGNGQXNE-UHFFFAOYSA-N 0 0 323.175 3.326 20 10 DGCDRN COc1ccc(N2CCN(Cc3ccccc3F)CC2)c(C)c1 ZINC001203359770 1090725053 /nfs/dbraw/zinc/72/50/53/1090725053.db2.gz GSEAKTFCHQDYPX-UHFFFAOYSA-N 0 0 314.404 3.465 20 10 DGCDRN Oc1ccccc1CN1CCc2ncc(Br)cc2C1 ZINC001203556605 1090755594 /nfs/dbraw/zinc/75/55/94/1090755594.db2.gz VGFJQDFEMPQZFF-UHFFFAOYSA-N 0 0 319.202 3.108 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@@]1(C)O ZINC001203574227 1090759386 /nfs/dbraw/zinc/75/93/86/1090759386.db2.gz QHMWEPMDDUFVDC-YMTOWFKASA-N 0 0 304.217 3.292 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCC[C@@H]1O ZINC001203574221 1090759921 /nfs/dbraw/zinc/75/99/21/1090759921.db2.gz QGFAAGYBDVZTSY-RNCFNFMXSA-N 0 0 304.217 3.292 20 10 DGCDRN CC[NH+]1C[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]2C1 ZINC001203587026 1090762218 /nfs/dbraw/zinc/76/22/18/1090762218.db2.gz YSQNKJWSPSTZDS-VXGBXAGGSA-N 0 0 315.244 3.083 20 10 DGCDRN Oc1ccc(Cl)cc1CN1CC2(C1)CC(F)(F)CS2 ZINC001203664187 1090775452 /nfs/dbraw/zinc/77/54/52/1090775452.db2.gz QHFIOPHWQQPPMY-UHFFFAOYSA-N 0 0 305.777 3.372 20 10 DGCDRN COc1ccc(O)c(CN2CCc3ncc(Cl)cc3C2)c1 ZINC001203681278 1090780132 /nfs/dbraw/zinc/78/01/32/1090780132.db2.gz SDXGSIHJARCJRN-UHFFFAOYSA-N 0 0 304.777 3.008 20 10 DGCDRN Oc1ccc(CN2Cc3cccc(Br)c3C2)cc1O ZINC001203882670 1090826652 /nfs/dbraw/zinc/82/66/52/1090826652.db2.gz PZMYVNIEYVHVSE-UHFFFAOYSA-N 0 0 320.186 3.376 20 10 DGCDRN CN(C)c1ccc(CN2CCc3ncc(Cl)cc3C2)cc1 ZINC001203937480 1090844402 /nfs/dbraw/zinc/84/44/02/1090844402.db2.gz RQJLIALUTGKKGH-UHFFFAOYSA-N 0 0 301.821 3.359 20 10 DGCDRN CCOC(=O)[C@]12C[C@H]1CCN2Cc1ccc(N(CC)CC)cc1 ZINC001203940613 1090844486 /nfs/dbraw/zinc/84/44/86/1090844486.db2.gz RJHAQPACUGEHQI-APWZRJJASA-N 0 0 316.445 3.060 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2ccccn2)C1 ZINC001204061400 1090887771 /nfs/dbraw/zinc/88/77/71/1090887771.db2.gz GVIWHWFQZSKZNI-UHFFFAOYSA-N 0 0 307.397 3.140 20 10 DGCDRN C[C@H](CO)[N@H+](Cc1ccccc1)Cc1cc(F)c(F)cc1[O-] ZINC001204195154 1090917581 /nfs/dbraw/zinc/91/75/81/1090917581.db2.gz GSGUGMHWZPAOBK-GFCCVEGCSA-N 0 0 307.340 3.053 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1cc(F)cc(F)c1)CCC2 ZINC001204232057 1090929734 /nfs/dbraw/zinc/92/97/34/1090929734.db2.gz DZBFGPPLCWCDTI-UHFFFAOYSA-N 0 0 305.324 3.324 20 10 DGCDRN CN(C)c1ccc(CN2CCc3c(ncn3C)C2)c2ccccc21 ZINC001204240585 1090932818 /nfs/dbraw/zinc/93/28/18/1090932818.db2.gz ZKWTWJIOWXTHSS-UHFFFAOYSA-N 0 0 320.440 3.198 20 10 DGCDRN c1cc([C@H]2CN(Cc3ccc(N4CCCC4)cc3)CCO2)ccn1 ZINC001204329111 1090950439 /nfs/dbraw/zinc/95/04/39/1090950439.db2.gz XHMGBGOQMXMIFM-HXUWFJFHSA-N 0 0 323.440 3.255 20 10 DGCDRN c1cnc([C@@H]2CCCN2Cc2ccc(N3CCCC3)cc2)nc1 ZINC001204329538 1090950931 /nfs/dbraw/zinc/95/09/31/1090950931.db2.gz OXTBWLOVFBAOEH-SFHVURJKSA-N 0 0 308.429 3.414 20 10 DGCDRN COc1cc(CN(C)[C@@H](C2CCC2)C(F)(F)F)cc(O)c1O ZINC001204346552 1090952985 /nfs/dbraw/zinc/95/29/85/1090952985.db2.gz VBMKOFQIPTXUEW-AWEZNQCLSA-N 0 0 319.323 3.269 20 10 DGCDRN COc1cc(CN2Cc3ccccc3C(C)(C)C2)cc(O)c1O ZINC001204348309 1090953070 /nfs/dbraw/zinc/95/30/70/1090953070.db2.gz BLWIRFWOTMQJMT-UHFFFAOYSA-N 0 0 313.397 3.400 20 10 DGCDRN Cc1c(C[N@@H+]2CCO[C@H](c3ccncc3)C2)c2ccccc2n1C ZINC001138258662 1091127346 /nfs/dbraw/zinc/12/73/46/1091127346.db2.gz XYDABMFNEBCJMQ-FQEVSTJZSA-N 0 0 321.424 3.455 20 10 DGCDRN CN1CCCc2cc(CN3CCO[C@@H](c4ccccn4)C3)ccc21 ZINC001138356645 1091149920 /nfs/dbraw/zinc/14/99/20/1091149920.db2.gz UIJCZJUFPPTFSI-HXUWFJFHSA-N 0 0 323.440 3.038 20 10 DGCDRN CN1CCCc2cc(CN3CCOC[C@H]3c3cccnc3)ccc21 ZINC001138359369 1091152103 /nfs/dbraw/zinc/15/21/03/1091152103.db2.gz SHSSGMZUNPINCJ-FQEVSTJZSA-N 0 0 323.440 3.038 20 10 DGCDRN CC(=O)CC1(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC001138364684 1091153623 /nfs/dbraw/zinc/15/36/23/1091153623.db2.gz YMTKQSZXTYILFB-AWEZNQCLSA-N 0 0 302.418 3.079 20 10 DGCDRN COc1cccc(F)c1CN1CCCc2cc(O)c(O)cc2C1 ZINC001138387154 1091163547 /nfs/dbraw/zinc/16/35/47/1091163547.db2.gz ZPJPEXRTHCUOMU-UHFFFAOYSA-N 0 0 317.360 3.194 20 10 DGCDRN O=C(Nc1scnc1-c1ccccc1)c1cccc(O)c1O ZINC001292845933 1091186189 /nfs/dbraw/zinc/18/61/89/1091186189.db2.gz AVFWLNYWCPJOFL-UHFFFAOYSA-N 0 0 312.350 3.474 20 10 DGCDRN Cc1ccccc1O[C@@H]1CC[N@H+](Cc2c([O-])cccc2F)C1 ZINC001137837541 1091206898 /nfs/dbraw/zinc/20/68/98/1091206898.db2.gz KYHZURFYZUIMOY-CQSZACIVSA-N 0 0 301.361 3.493 20 10 DGCDRN [O-]c1cccc(F)c1C[N@@H+]1CC[C@@H]1COCc1ccccc1 ZINC001137837730 1091208554 /nfs/dbraw/zinc/20/85/54/1091208554.db2.gz SDWGMEGUQBTAFQ-OAHLLOKOSA-N 0 0 301.361 3.322 20 10 DGCDRN Oc1cc(F)c(F)cc1CN[C@@H]1COc2cc(F)cc(F)c21 ZINC001205394424 1091210285 /nfs/dbraw/zinc/21/02/85/1091210285.db2.gz OZDUBJZRELPHTL-GFCCVEGCSA-N 0 0 313.250 3.172 20 10 DGCDRN [O-]c1cccc(F)c1C[N@@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC001137841480 1091225192 /nfs/dbraw/zinc/22/51/92/1091225192.db2.gz GCRLAWNYPULDBD-UHFFFAOYSA-N 0 0 318.367 3.383 20 10 DGCDRN COC(=O)c1ccc2c(c1)CCN2Cc1ccc(Cl)cc1O ZINC001205477870 1091231735 /nfs/dbraw/zinc/23/17/35/1091231735.db2.gz MDPYGEWYDRMWPX-UHFFFAOYSA-N 0 0 317.772 3.395 20 10 DGCDRN CC(C)Nc1cc(F)ccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001293745401 1091291881 /nfs/dbraw/zinc/29/18/81/1091291881.db2.gz PRBZECAYCTUCEQ-UHFFFAOYSA-N 0 0 318.348 3.238 20 10 DGCDRN Cc1c(Cl)cncc1NC(=O)NCc1c(O)cccc1F ZINC001205756130 1091335993 /nfs/dbraw/zinc/33/59/93/1091335993.db2.gz LEOFXCCRKYWPDA-UHFFFAOYSA-N 0 0 309.728 3.210 20 10 DGCDRN Oc1cccc2c1CN(Cc1cc3c(c(Cl)c1)OCO3)CC2 ZINC001139076422 1091440253 /nfs/dbraw/zinc/44/02/53/1091440253.db2.gz OSVFIXBABKPJRM-UHFFFAOYSA-N 0 0 317.772 3.333 20 10 DGCDRN C[C@H](NC(=O)NC(C)(C)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC001119449166 1091516072 /nfs/dbraw/zinc/51/60/72/1091516072.db2.gz YRSUUIDKSGLNQZ-JTQLQIEISA-N 0 0 317.355 3.454 20 10 DGCDRN CC(C)[C@H](Cc1ccccc1)C(=O)NCc1ccc(O)cc1O ZINC000820667751 1091628291 /nfs/dbraw/zinc/62/82/91/1091628291.db2.gz FUAGPPCVDRZQPW-KRWDZBQOSA-N 0 0 313.397 3.229 20 10 DGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001139684448 1091641650 /nfs/dbraw/zinc/64/16/50/1091641650.db2.gz UZNPEUNVSADIPC-CYBMUJFWSA-N 0 0 323.314 3.463 20 10 DGCDRN C[N@H+](CCCC(=O)c1cccnc1)Cc1c(F)ccc(F)c1[O-] ZINC001139684494 1091641671 /nfs/dbraw/zinc/64/16/71/1091641671.db2.gz WXBHPNAXXDPDRB-UHFFFAOYSA-N 0 0 320.339 3.160 20 10 DGCDRN Cc1ccc(O[C@H]2CC[N@H+](Cc3c(F)ccc(F)c3[O-])C2)nc1 ZINC001139686936 1091643383 /nfs/dbraw/zinc/64/33/83/1091643383.db2.gz INDDGQBOZDRVDY-LBPRGKRZSA-N 0 0 320.339 3.027 20 10 DGCDRN C[N@@H+](Cc1c(F)ccc(F)c1[O-])C[C@H]1Cc2ccccc2O1 ZINC001139690121 1091643618 /nfs/dbraw/zinc/64/36/18/1091643618.db2.gz PLSQMKDKEIKKJY-GFCCVEGCSA-N 0 0 305.324 3.106 20 10 DGCDRN COc1ncccc1CN(C)Cc1ccc(N2CCCC2)cc1 ZINC001206585220 1091678231 /nfs/dbraw/zinc/67/82/31/1091678231.db2.gz SUPSWDCBWDXZSJ-UHFFFAOYSA-N 0 0 311.429 3.322 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2ccc(C)cn2)C1 ZINC001139840262 1091687407 /nfs/dbraw/zinc/68/74/07/1091687407.db2.gz IZGYJGXLCWTWKG-UHFFFAOYSA-N 0 0 321.424 3.449 20 10 DGCDRN CCOc1ccc(N2CCN(Cc3ccc(C)cn3)CC2)cc1 ZINC001139841547 1091688500 /nfs/dbraw/zinc/68/85/00/1091688500.db2.gz YFMRSCVTKQHGEU-UHFFFAOYSA-N 0 0 311.429 3.111 20 10 DGCDRN Oc1cccc(Br)c1CN1Cc2cccnc2C1 ZINC001140098559 1091766337 /nfs/dbraw/zinc/76/63/37/1091766337.db2.gz FBIRIWHMKZNXNB-UHFFFAOYSA-N 0 0 305.175 3.066 20 10 DGCDRN Oc1cccc(Br)c1CN1CCCC[C@H](F)C1 ZINC001140098933 1091767672 /nfs/dbraw/zinc/76/76/72/1091767672.db2.gz ULAQBXNOSRMSKR-JTQLQIEISA-N 0 0 302.187 3.479 20 10 DGCDRN C[C@@H](NC(=O)C(C)(C)c1ccccn1)c1ccc(N(C)C)cc1 ZINC001296647800 1091776442 /nfs/dbraw/zinc/77/64/42/1091776442.db2.gz CYFXHNMFPJPYQI-CQSZACIVSA-N 0 0 311.429 3.303 20 10 DGCDRN CCN(Cc1ccccc1O)c1ncc(Cl)cc1C(=O)OC ZINC001154890241 1091784623 /nfs/dbraw/zinc/78/46/23/1091784623.db2.gz TZXMJZDNLBZATL-UHFFFAOYSA-N 0 0 320.776 3.254 20 10 DGCDRN Cc1ccc(C)c(CN2[C@@H](CO)CCC[C@H]2C(F)(F)F)c1O ZINC001140178655 1091791947 /nfs/dbraw/zinc/79/19/47/1091791947.db2.gz SQYFSLNNWOXODG-OCCSQVGLSA-N 0 0 317.351 3.287 20 10 DGCDRN CCOc1ccc(N2CCN(Cc3scnc3C)CC2)cc1 ZINC001206988694 1091813464 /nfs/dbraw/zinc/81/34/64/1091813464.db2.gz BKRNNNGYTBMRMY-UHFFFAOYSA-N 0 0 317.458 3.172 20 10 DGCDRN Oc1cc(Cl)ccc1CN1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001140467202 1091878585 /nfs/dbraw/zinc/87/85/85/1091878585.db2.gz PTMDULZXJAVKSC-MRXNPFEDSA-N 0 0 308.853 3.496 20 10 DGCDRN CCOC(=O)C1(C)CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140466471 1091879006 /nfs/dbraw/zinc/87/90/06/1091879006.db2.gz GSMAEPKCBIVZIG-UHFFFAOYSA-N 0 0 311.809 3.211 20 10 DGCDRN Oc1cc(Cl)ccc1C[NH+]1CCC(c2ncccn2)CC1 ZINC001140466638 1091879037 /nfs/dbraw/zinc/87/90/37/1091879037.db2.gz IZCKIRKRNBNMKT-UHFFFAOYSA-N 0 0 303.793 3.215 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1Cc2ccccc2NC(=O)[C@@H]1C ZINC001207196121 1091882739 /nfs/dbraw/zinc/88/27/39/1091882739.db2.gz GXPCPSTXVTYGCT-HNNXBMFYSA-N 0 0 323.440 3.404 20 10 DGCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCC[C@H]1Cc1ccccn1 ZINC001140583290 1091919857 /nfs/dbraw/zinc/91/98/57/1091919857.db2.gz CVUKAFJXYRRLIX-AWEZNQCLSA-N 0 0 304.340 3.273 20 10 DGCDRN C[N@H+](Cc1ccc2c(c1)OCO2)Cc1c([O-])cc(F)cc1F ZINC001140584613 1091920041 /nfs/dbraw/zinc/92/00/41/1091920041.db2.gz YUIHJTALVRSZCA-UHFFFAOYSA-N 0 0 307.296 3.031 20 10 DGCDRN CC1([NH+]2CCCC2)CCN(Cc2c([O-])cc(F)cc2F)CC1 ZINC001140585958 1091921392 /nfs/dbraw/zinc/92/13/92/1091921392.db2.gz XKSLOVXQPFBMSO-UHFFFAOYSA-N 0 0 310.388 3.121 20 10 DGCDRN Cc1cccnc1O[C@@H]1CC[N@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140585962 1091921497 /nfs/dbraw/zinc/92/14/97/1091921497.db2.gz XLKNDZUHKDSDHJ-CYBMUJFWSA-N 0 0 320.339 3.027 20 10 DGCDRN Cc1c(O)ccc(CN2CCc3cc(F)c(F)cc3C2)c1O ZINC001140750936 1091985017 /nfs/dbraw/zinc/98/50/17/1091985017.db2.gz DBYRJWCCQCFVBF-UHFFFAOYSA-N 0 0 305.324 3.243 20 10 DGCDRN CCN(CC)c1ccc(CN(C)Cc2nccs2)c(O)c1 ZINC001140855882 1092030571 /nfs/dbraw/zinc/03/05/71/1092030571.db2.gz MYJDEOPTGODUSG-UHFFFAOYSA-N 0 0 305.447 3.327 20 10 DGCDRN CN(C)C(=O)c1ccc(Nc2cccc(O)c2O)cc1Cl ZINC001203074064 1092045278 /nfs/dbraw/zinc/04/52/78/1092045278.db2.gz WGLMKGXKASPJKP-UHFFFAOYSA-N 0 0 306.749 3.197 20 10 DGCDRN CN(C)c1ccc(CN(C)CC(=O)OC(C)(C)C)c(Cl)c1 ZINC001140922644 1092065400 /nfs/dbraw/zinc/06/54/00/1092065400.db2.gz XXEDDLMVMRXUMZ-UHFFFAOYSA-N 0 0 312.841 3.180 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NOC(C)C)ccc1C ZINC001298553899 1092071681 /nfs/dbraw/zinc/07/16/81/1092071681.db2.gz DQHRFNWWOCNBEG-UHFFFAOYSA-N 0 0 314.385 3.285 20 10 DGCDRN COc1cc(O)c(CN(C)Cc2ccc(Cl)nc2)c(OC)c1 ZINC001141028985 1092111386 /nfs/dbraw/zinc/11/13/86/1092111386.db2.gz GDTOMPIAMGYPMB-UHFFFAOYSA-N 0 0 322.792 3.090 20 10 DGCDRN CCON(Cc1ccccc1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001299057438 1092147889 /nfs/dbraw/zinc/14/78/89/1092147889.db2.gz WMFVLARRSUHGNG-LUAWRHEFSA-N 0 0 313.353 3.091 20 10 DGCDRN COc1cccc2c1CC[N@H+](Cc1ccc3c(c1)OCCN3C)C2 ZINC001141144147 1092150519 /nfs/dbraw/zinc/15/05/19/1092150519.db2.gz BDVZTEUUQINOCK-UHFFFAOYSA-N 0 0 324.424 3.082 20 10 DGCDRN CN(Cc1nc2ccccc2o1)Cc1ccc2c(c1)OCCN2C ZINC001141143744 1092150766 /nfs/dbraw/zinc/15/07/66/1092150766.db2.gz IRYZWYVLYHGGMT-UHFFFAOYSA-N 0 0 323.396 3.288 20 10 DGCDRN CN1CC=C(Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 ZINC001208838756 1092536091 /nfs/dbraw/zinc/53/60/91/1092536091.db2.gz RYRBZNQCEIPQAR-UHFFFAOYSA-N 0 0 318.376 3.093 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(CN2CC[C@H](O)C(F)(F)C2)cc1 ZINC001209519672 1092807683 /nfs/dbraw/zinc/80/76/83/1092807683.db2.gz DNQMTIQWKPPKCU-KRWDZBQOSA-N 0 0 320.383 3.296 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(CN2CCc3ncn(C)c3C2)cc1 ZINC001209520268 1092808100 /nfs/dbraw/zinc/80/81/00/1092808100.db2.gz STQXFKKXIQRHIJ-UHFFFAOYSA-N 0 0 320.440 3.386 20 10 DGCDRN CCC[C@@](C)(O)C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001151154670 1092870273 /nfs/dbraw/zinc/87/02/73/1092870273.db2.gz YWKUYHFLSJZNFP-LJQANCHMSA-N 0 0 314.429 3.261 20 10 DGCDRN COCCOc1ccc(Nc2ccc3c(c2)OCCN3)cc1 ZINC001209727449 1092895588 /nfs/dbraw/zinc/89/55/88/1092895588.db2.gz IFVOBCNANMFTRD-UHFFFAOYSA-N 0 0 300.358 3.260 20 10 DGCDRN COC(=O)c1cc(Nc2ccc3c(c2)OCCN3)c(F)cc1F ZINC001209767815 1092911168 /nfs/dbraw/zinc/91/11/68/1092911168.db2.gz PKROJYMCPXKPIS-UHFFFAOYSA-N 0 0 320.295 3.299 20 10 DGCDRN CP(C)(=O)c1ccccc1Nc1ccc2c(c1)OCCN2 ZINC001209767473 1092911391 /nfs/dbraw/zinc/91/13/91/1092911391.db2.gz LFPHWYBOMLCROQ-UHFFFAOYSA-N 0 0 302.314 3.483 20 10 DGCDRN CN1Cc2c(Nc3ccc4c(c3)OCCN4)cccc2NC1=O ZINC001209792832 1092925861 /nfs/dbraw/zinc/92/58/61/1092925861.db2.gz VDDRZGKAYDTRJH-UHFFFAOYSA-N 0 0 310.357 3.212 20 10 DGCDRN Cc1c(N(C)c2ccc(N)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211295272 1093448274 /nfs/dbraw/zinc/44/82/74/1093448274.db2.gz CCSYIMWIKNPFGH-UHFFFAOYSA-N 0 0 302.290 3.162 20 10 DGCDRN Oc1cccc(Nc2ccc(OC(F)(F)F)cc2O)c1O ZINC001214392828 1093767229 /nfs/dbraw/zinc/76/72/29/1093767229.db2.gz XNXROHWVGLILPK-UHFFFAOYSA-N 0 0 301.220 3.446 20 10 DGCDRN Cc1ccc(NC(=O)NCc2c(O)cccc2F)cc1[N+](=O)[O-] ZINC001214560069 1093799195 /nfs/dbraw/zinc/79/91/95/1093799195.db2.gz IUFLNNGFYNPROR-UHFFFAOYSA-N 0 0 319.292 3.070 20 10 DGCDRN Oc1cccc(-c2nc(-c3cccc(OC(F)F)c3)no2)c1O ZINC001215143699 1093925931 /nfs/dbraw/zinc/92/59/31/1093925931.db2.gz MONJXIRYFRZCQP-UHFFFAOYSA-N 0 0 320.251 3.416 20 10 DGCDRN Cc1ncc(Cl)cc1-c1noc(-c2cccc(O)c2O)n1 ZINC001215145689 1093926810 /nfs/dbraw/zinc/92/68/10/1093926810.db2.gz CFMGRVRLQIICJI-UHFFFAOYSA-N 0 0 303.705 3.172 20 10 DGCDRN Oc1cccc(-c2nc(-c3ccc(-c4cnco4)cc3)no2)c1O ZINC001215146048 1093926963 /nfs/dbraw/zinc/92/69/63/1093926963.db2.gz YRHGVWZISJQYPQ-UHFFFAOYSA-N 0 0 321.292 3.470 20 10 DGCDRN Cc1cc(Cl)ccc1-c1noc(-c2ccc(O)c(O)c2O)n1 ZINC001215325266 1093960347 /nfs/dbraw/zinc/96/03/47/1093960347.db2.gz JHRJONKNXOYYMJ-UHFFFAOYSA-N 0 0 318.716 3.482 20 10 DGCDRN Cn1ccc2ccc(-c3noc(-c4ccc(O)c(O)c4O)n3)cc21 ZINC001215325417 1093960594 /nfs/dbraw/zinc/96/05/94/1093960594.db2.gz RMFCCPAMPWMRSE-UHFFFAOYSA-N 0 0 323.308 3.012 20 10 DGCDRN Cc1c(F)ccc(-c2noc(-c3ccc(O)c(O)c3O)n2)c1F ZINC001215325171 1093960801 /nfs/dbraw/zinc/96/08/01/1093960801.db2.gz FHMSLEUVOHWAMR-UHFFFAOYSA-N 0 0 320.251 3.107 20 10 DGCDRN Cc1c(F)cc(-c2noc(-c3ccc(O)c(O)c3O)n2)cc1F ZINC001215325510 1093960917 /nfs/dbraw/zinc/96/09/17/1093960917.db2.gz XDROBOCLHAXHIN-UHFFFAOYSA-N 0 0 320.251 3.107 20 10 DGCDRN Cc1cc(-c2noc(-c3cc(O)c(O)c(O)c3)n2)ccc1Cl ZINC001215327743 1093961414 /nfs/dbraw/zinc/96/14/14/1093961414.db2.gz QQUILQKZFNPHIF-UHFFFAOYSA-N 0 0 318.716 3.482 20 10 DGCDRN Cc1cc(Cl)cc(-c2noc(-c3cc(O)c(O)c(O)c3)n2)c1 ZINC001215327567 1093961454 /nfs/dbraw/zinc/96/14/54/1093961454.db2.gz IRDMHERMHZCUSF-UHFFFAOYSA-N 0 0 318.716 3.482 20 10 DGCDRN Oc1cc(-c2nc(-c3ccccc3Cl)no2)cc(O)c1O ZINC001215327480 1093961985 /nfs/dbraw/zinc/96/19/85/1093961985.db2.gz CSQFVJGFUGVQIS-UHFFFAOYSA-N 0 0 304.689 3.174 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)Nc1ccc([N+](=O)[O-])cc1 ZINC001216792656 1094263278 /nfs/dbraw/zinc/26/32/78/1094263278.db2.gz DJHSIPAOCYBCMW-UHFFFAOYSA-N 0 0 321.720 3.276 20 10 DGCDRN COc1cc(-c2nc(-c3ccc(F)c(C)c3)no2)cc(O)c1O ZINC001216944254 1094282354 /nfs/dbraw/zinc/28/23/54/1094282354.db2.gz KFLBZWPKLXYCRK-UHFFFAOYSA-N 0 0 316.288 3.271 20 10 DGCDRN Cc1cncc(-c2noc(-c3ccc(O)c(O)c3Cl)n2)c1 ZINC001216952041 1094283224 /nfs/dbraw/zinc/28/32/24/1094283224.db2.gz QPYUIEXIYHFXEM-UHFFFAOYSA-N 0 0 303.705 3.172 20 10 DGCDRN Cc1ccc(-c2noc(-c3ccc(O)c(O)c3Cl)n2)nc1 ZINC001216952402 1094283785 /nfs/dbraw/zinc/28/37/85/1094283785.db2.gz YPRIVXYICWFABT-UHFFFAOYSA-N 0 0 303.705 3.172 20 10 DGCDRN Oc1cc2cc(-c3nc(-c4cccc(F)c4)no3)[nH]c2cc1O ZINC001217471556 1094419224 /nfs/dbraw/zinc/41/92/24/1094419224.db2.gz ORPGPZUKGGMJEQ-UHFFFAOYSA-N 0 0 311.272 3.435 20 10 DGCDRN CCCn1ncc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1C ZINC001120637502 1094479123 /nfs/dbraw/zinc/47/91/23/1094479123.db2.gz PKLAGEMIFFBMFO-CYBMUJFWSA-N 0 0 314.433 3.159 20 10 DGCDRN Nc1ccc(CNC(=O)N[C@@H](C2CCC2)C2CCCC2)cc1 ZINC001120677350 1094488223 /nfs/dbraw/zinc/48/82/23/1094488223.db2.gz OFCBCQARGIVBFH-QGZVFWFLSA-N 0 0 301.434 3.427 20 10 DGCDRN Cc1cncc(/C=C\C(=O)N(C)c2cccc3c2CCCN3)c1 ZINC001120731377 1094506480 /nfs/dbraw/zinc/50/64/80/1094506480.db2.gz XJNWBNVBMVWUQP-HJWRWDBZSA-N 0 0 307.397 3.424 20 10 DGCDRN C[C@@H](NC(=O)C1(Cc2ccc(O)cc2)CC1)c1ccccc1O ZINC001120764162 1094517639 /nfs/dbraw/zinc/51/76/39/1094517639.db2.gz ACQYWCIGXBQKMP-CYBMUJFWSA-N 0 0 311.381 3.298 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CCc3ccsc3C2)cc1OC ZINC001120787051 1094523692 /nfs/dbraw/zinc/52/36/92/1094523692.db2.gz YUKVTXZCRSHSII-UHFFFAOYSA-N 0 0 320.370 3.236 20 10 DGCDRN Nc1ccc(CNC(=O)N2CCC[C@@H]2Cc2ccccc2)cc1 ZINC001336291114 1094618194 /nfs/dbraw/zinc/61/81/94/1094618194.db2.gz ZHCGRDZQWLOAMR-GOSISDBHSA-N 0 0 309.413 3.186 20 10 DGCDRN CCOC(=O)c1oc(Sc2nccs2)nc1C(F)(F)F ZINC001336495191 1094661899 /nfs/dbraw/zinc/66/18/99/1094661899.db2.gz OPMNNZQGSKXZLJ-UHFFFAOYSA-N 0 0 324.305 3.478 20 10 DGCDRN O=C(CC1(C(F)(F)F)CC1)NCc1cccc(Cl)c1O ZINC001336623898 1094682635 /nfs/dbraw/zinc/68/26/35/1094682635.db2.gz BXEAUJZNRNOZNZ-UHFFFAOYSA-N 0 0 307.699 3.394 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CCc2cc(C)on2)cc1 ZINC001336669269 1094690647 /nfs/dbraw/zinc/69/06/47/1094690647.db2.gz WBXRRCQTBCEBIE-UHFFFAOYSA-N 0 0 315.417 3.078 20 10 DGCDRN CN(C(=O)NCCc1ccc(N)cc1)[C@@H]1CCc2ccccc2C1 ZINC001336702800 1094702745 /nfs/dbraw/zinc/70/27/45/1094702745.db2.gz FPQQLMBXJRFQKZ-LJQANCHMSA-N 0 0 323.440 3.010 20 10 DGCDRN CCn1cnc2c1CCN(Cc1ccc(N3CCCC3)cc1)C2 ZINC001336783518 1094736681 /nfs/dbraw/zinc/73/66/81/1094736681.db2.gz BDRDUTQTIAJUCB-UHFFFAOYSA-N 0 0 310.445 3.062 20 10 DGCDRN Nc1ccc(CNC(=O)N2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC001337019248 1094819022 /nfs/dbraw/zinc/81/90/22/1094819022.db2.gz PWOSETQXLBUQJY-SFHVURJKSA-N 0 0 324.428 3.055 20 10 DGCDRN CC1(C)C[C@@H](COC(=O)/C=C/c2ccc(O)c(O)c2)C(C)(C)O1 ZINC001337308978 1094927043 /nfs/dbraw/zinc/92/70/43/1094927043.db2.gz GRYJNZQSXWSPME-CFNZNRNTSA-N 0 0 320.385 3.248 20 10 DGCDRN CC(C)(CCNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001136375510 1095007930 /nfs/dbraw/zinc/00/79/30/1095007930.db2.gz SHLHQAUAZYXTHN-UHFFFAOYSA-N 0 0 313.397 3.124 20 10 DGCDRN CCCC[C@@H](NCc1ccc(N2CCCC2)cc1)C(=O)OC ZINC001338340355 1095272115 /nfs/dbraw/zinc/27/21/15/1095272115.db2.gz IWOJYUFKEPLWEB-QGZVFWFLSA-N 0 0 304.434 3.108 20 10 DGCDRN COc1ccc(CC[N@H+](C)Cc2c(F)ccc(F)c2[O-])cc1 ZINC001139683051 1095298572 /nfs/dbraw/zinc/29/85/72/1095298572.db2.gz HDSFXYWUXXCQIY-UHFFFAOYSA-N 0 0 307.340 3.354 20 10 DGCDRN Cn1c(C2SC=CC2=O)nnc1N1CC[C@H](C2CCCC2)C1 ZINC001338750289 1095378861 /nfs/dbraw/zinc/37/88/61/1095378861.db2.gz LUYGPFNQXJBXIG-LBPRGKRZSA-N 0 0 318.446 3.266 20 10 DGCDRN CC[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2C)[C@@H]1C ZINC001221894253 1095382078 /nfs/dbraw/zinc/38/20/78/1095382078.db2.gz PUBFOFWKSCCUOW-CABCVRRESA-N 0 0 303.450 3.391 20 10 DGCDRN CO[C@H]1CC[C@@H](NC(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC001338846954 1095410551 /nfs/dbraw/zinc/41/05/51/1095410551.db2.gz WSCARBZEQGEBFG-KGLIPLIRSA-N 0 0 318.442 3.453 20 10 DGCDRN CC[C@H](Cc1cccc(C)c1)C(=O)NCc1cccc(O)c1O ZINC001123890553 1095473495 /nfs/dbraw/zinc/47/34/95/1095473495.db2.gz ZUWGYBYTSWIERC-OAHLLOKOSA-N 0 0 313.397 3.291 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)OC2CCCCC2)c1 ZINC001339096026 1095495224 /nfs/dbraw/zinc/49/52/24/1095495224.db2.gz XFILQBFMDWOOBT-OLZOCXBDSA-N 0 0 321.417 3.316 20 10 DGCDRN O=C(C[C@H]1CCCc2ccccc21)NCc1cccc(O)c1O ZINC001123977601 1095503626 /nfs/dbraw/zinc/50/36/26/1095503626.db2.gz JIEKTOUEBHAOOG-CQSZACIVSA-N 0 0 311.381 3.224 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)C3=C(C)CCC3)CC2)cc1 ZINC001116420891 1095544808 /nfs/dbraw/zinc/54/48/08/1095544808.db2.gz FCOJBCZRYPTNQL-UHFFFAOYSA-N 0 0 314.429 3.234 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)[C@@H]3CC[C@@H](C)C3)CC2)cc1 ZINC001116480351 1095570509 /nfs/dbraw/zinc/57/05/09/1095570509.db2.gz IWFNNCRAWGPREA-HZPDHXFCSA-N 0 0 316.445 3.170 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccccc1O ZINC001144256907 1095575466 /nfs/dbraw/zinc/57/54/66/1095575466.db2.gz WNZUTIVIFZOQGF-UHFFFAOYSA-N 0 0 312.413 3.049 20 10 DGCDRN [O-]c1cc(F)c(Br)cc1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001144306641 1095600163 /nfs/dbraw/zinc/60/01/63/1095600163.db2.gz KKTAPURZLGJQDY-WCBMZHEXSA-N 0 0 300.171 3.278 20 10 DGCDRN CCc1cc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)no1 ZINC001124623311 1095609697 /nfs/dbraw/zinc/60/96/97/1095609697.db2.gz RDLMOBXHSCGEJJ-UHFFFAOYSA-N 0 0 313.401 3.109 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1(C)CCOCC1 ZINC001124623812 1095611185 /nfs/dbraw/zinc/61/11/85/1095611185.db2.gz YMQANFLOJMPQLP-UHFFFAOYSA-N 0 0 316.445 3.062 20 10 DGCDRN COc1cccc(N)c1NCc1cc(Br)ccc1O ZINC001171178192 1095647170 /nfs/dbraw/zinc/64/71/70/1095647170.db2.gz SLEMIAJZGQWWJI-UHFFFAOYSA-N 0 0 323.190 3.358 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)c1ccc(F)c(F)c1 ZINC001116850864 1095679798 /nfs/dbraw/zinc/67/97/98/1095679798.db2.gz VWTWVDRGYZWYOG-UHFFFAOYSA-N 0 0 309.659 3.407 20 10 DGCDRN Cc1cc(O)c(C(C)C)cc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001137674568 1095707944 /nfs/dbraw/zinc/70/79/44/1095707944.db2.gz ZDIXAXSBQUAVGD-UHFFFAOYSA-N 0 0 315.369 3.416 20 10 DGCDRN CCOC(=O)[C@@]1(C)CCCC[N@H+](Cc2c([O-])cccc2F)C1 ZINC001137832760 1095756930 /nfs/dbraw/zinc/75/69/30/1095756930.db2.gz GXSJZRKZCWONGX-KRWDZBQOSA-N 0 0 309.381 3.087 20 10 DGCDRN CC(C)(C)OC(=O)CC1CC[NH+](Cc2c([O-])cccc2F)CC1 ZINC001137840278 1095758422 /nfs/dbraw/zinc/75/84/22/1095758422.db2.gz VFPKUEROTCRJGF-UHFFFAOYSA-N 0 0 323.408 3.475 20 10 DGCDRN Oc1cccc(F)c1CN1Cc2cnn(-c3ccccc3)c2C1 ZINC001137840338 1095759159 /nfs/dbraw/zinc/75/91/59/1095759159.db2.gz YADPBUARAWNWNP-UHFFFAOYSA-N 0 0 309.344 3.233 20 10 DGCDRN Cc1cc(CN2CCc3ncn(C)c3C2)c(C)n1-c1ccccc1 ZINC001137859187 1095769970 /nfs/dbraw/zinc/76/99/70/1095769970.db2.gz NCFAHMJBMCSJRC-UHFFFAOYSA-N 0 0 320.440 3.386 20 10 DGCDRN Cc1nc([C@@H](C)NCc2ccc(N3CCCCC3)cc2)no1 ZINC001117600911 1095785126 /nfs/dbraw/zinc/78/51/26/1095785126.db2.gz PUOGFJLBTNJDSF-CYBMUJFWSA-N 0 0 300.406 3.219 20 10 DGCDRN C[C@H](NC(=O)Cc1c[nH]c2cnccc12)c1ccc(N(C)C)cc1 ZINC001117718647 1095813375 /nfs/dbraw/zinc/81/33/75/1095813375.db2.gz WDJPGWQRDYUKLG-ZDUSSCGKSA-N 0 0 322.412 3.049 20 10 DGCDRN Cc1cc(CC(=O)NN2CCCCC2)c(C)n1-c1ccccc1 ZINC001138017015 1095836500 /nfs/dbraw/zinc/83/65/00/1095836500.db2.gz ZCNROOUBEDDOGH-UHFFFAOYSA-N 0 0 311.429 3.154 20 10 DGCDRN [O-]c1c(F)cccc1C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001138131306 1095898565 /nfs/dbraw/zinc/89/85/65/1095898565.db2.gz VJPJTKYRTYWBNU-IYBDPMFKSA-N 0 0 312.388 3.100 20 10 DGCDRN CCn1c(-c2ccsc2)nnc1N(C)Cc1ccccc1O ZINC001340196145 1095903305 /nfs/dbraw/zinc/90/33/05/1095903305.db2.gz PNMAJRPYBFEDQG-UHFFFAOYSA-N 0 0 314.414 3.369 20 10 DGCDRN CC(C)n1cc2c(n1)[C@H](NC(=O)Nc1ccc(N)cc1)CCC2 ZINC001117955330 1095909537 /nfs/dbraw/zinc/90/95/37/1095909537.db2.gz NCVLRRSNMFXOCX-OAHLLOKOSA-N 0 0 313.405 3.245 20 10 DGCDRN Cc1cc(C(=O)NCCc2ccc(N)cc2)c(C)n1CC1CC1 ZINC001118203833 1095957575 /nfs/dbraw/zinc/95/75/75/1095957575.db2.gz YGCPGJUEKHZNRU-UHFFFAOYSA-N 0 0 311.429 3.070 20 10 DGCDRN Cc1cnccc1/C=C\C(=O)NCc1cc(Cl)ccc1O ZINC001146232998 1096008493 /nfs/dbraw/zinc/00/84/93/1096008493.db2.gz OXSKTIPZVQJOPC-DJWKRKHSSA-N 0 0 302.761 3.079 20 10 DGCDRN COc1ccc(N2CC[C@@H](Nc3nccnc3C(F)F)C2)cc1 ZINC001118537608 1096029631 /nfs/dbraw/zinc/02/96/31/1096029631.db2.gz PWIPYIJSWSAVSU-LLVKDONJSA-N 0 0 320.343 3.114 20 10 DGCDRN COc1cc(CN[C@@H](C)c2noc(C)n2)c(O)c(C(C)(C)C)c1 ZINC001118578752 1096040627 /nfs/dbraw/zinc/04/06/27/1096040627.db2.gz YHVGAVDKGLJARZ-JTQLQIEISA-N 0 0 319.405 3.241 20 10 DGCDRN Cc1cc(NC(=O)C2=CC(=O)CS2)ccc1N1CCCC1=O ZINC001118579356 1096041597 /nfs/dbraw/zinc/04/15/97/1096041597.db2.gz FNNRTNVCOAZPDY-UHFFFAOYSA-N 0 0 316.382 3.141 20 10 DGCDRN Cc1ccc(C(=O)N2CC[C@H]2c2ccc(F)cc2)c(O)c1O ZINC001146530756 1096057106 /nfs/dbraw/zinc/05/71/06/1096057106.db2.gz UBAMZQIRAXDPKM-AWEZNQCLSA-N 0 0 301.317 3.133 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[C@H]2Cc2ccccc2)cc1 ZINC001147114082 1096166192 /nfs/dbraw/zinc/16/61/92/1096166192.db2.gz VYNNEUJAHYSWCP-GDBMZVCRSA-N 0 0 322.368 3.210 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2C3CCC2(CO)CC3)cc1 ZINC001119715426 1096250600 /nfs/dbraw/zinc/25/06/00/1096250600.db2.gz UPOJPSYCTOAVPP-UHFFFAOYSA-N 0 0 324.424 3.224 20 10 DGCDRN Cc1ccnn1-c1ccc(C(=O)NCc2cc(C)ccc2O)cc1 ZINC001147956291 1096297169 /nfs/dbraw/zinc/29/71/69/1096297169.db2.gz BTHFXDRSZIQJEG-UHFFFAOYSA-N 0 0 321.380 3.125 20 10 DGCDRN O=C(Nc1ccc(-c2cccnc2)cc1)c1cccc(O)c1O ZINC001148218704 1096328633 /nfs/dbraw/zinc/32/86/33/1096328633.db2.gz HZPHITCZPZIICG-UHFFFAOYSA-N 0 0 306.321 3.412 20 10 DGCDRN O=C(Nc1ccccc1-c1ccncc1)c1cc(O)c(O)c(O)c1 ZINC001148586079 1096406792 /nfs/dbraw/zinc/40/67/92/1096406792.db2.gz HZNQNYHXCIVTJX-UHFFFAOYSA-N 0 0 322.320 3.118 20 10 DGCDRN O=C(c1cccc2c1CCCC2)N1CCc2cccc(O)c2C1 ZINC001148634105 1096418044 /nfs/dbraw/zinc/41/80/44/1096418044.db2.gz NPJBZZGRUHJRHS-UHFFFAOYSA-N 0 0 307.393 3.470 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)c2noc(C)n2)cc1 ZINC000129059259 1096442002 /nfs/dbraw/zinc/44/20/02/1096442002.db2.gz MRKCHTPONVGPJJ-CYBMUJFWSA-N 0 0 324.384 3.277 20 10 DGCDRN O=C1Cc2ccnc(NCc3cc4ccccc4cc3O)c2N1 ZINC001171400281 1096666116 /nfs/dbraw/zinc/66/61/16/1096666116.db2.gz RRJNCAXDIKCAIN-UHFFFAOYSA-N 0 0 305.337 3.047 20 10 DGCDRN CCC[C@H](C)[C@H](Oc1c(O)c(O)c(O)c(O)c1O)C(C)C ZINC001226467680 1096697230 /nfs/dbraw/zinc/69/72/30/1096697230.db2.gz JANCGRFFXHBYNA-RMLUDKJBSA-N 0 0 300.351 3.054 20 10 DGCDRN C[C@H](NC(=O)NCc1cc(F)ccc1F)c1ccccc1O ZINC001227068353 1096859622 /nfs/dbraw/zinc/85/96/22/1096859622.db2.gz AILUXCPMGIIHGC-JTQLQIEISA-N 0 0 306.312 3.231 20 10 DGCDRN COC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1O ZINC001171731027 1096957002 /nfs/dbraw/zinc/95/70/02/1096957002.db2.gz WKISGKYSNIZKSC-NSHDSACASA-N 0 0 314.341 3.062 20 10 DGCDRN Cc1nc2ccc(O)cc2cc1C(=O)N[C@@H](C)c1ccccc1O ZINC001171729363 1096957061 /nfs/dbraw/zinc/95/70/61/1096957061.db2.gz ARBSJTRQSKMIBF-NSHDSACASA-N 0 0 322.364 3.445 20 10 DGCDRN C[C@H](NC(=O)c1ccn(-c2ccccc2)n1)c1ccccc1O ZINC001171730928 1096957188 /nfs/dbraw/zinc/95/71/88/1096957188.db2.gz SDKPYLNMDGHUBG-ZDUSSCGKSA-N 0 0 307.353 3.069 20 10 DGCDRN C[C@H]1COCC[C@@H]1Oc1cccc2c1C(=O)c1ccccc1C2=O ZINC001228078329 1097046530 /nfs/dbraw/zinc/04/65/30/1097046530.db2.gz GYCSUJAUJQWEEC-LRDDRELGSA-N 0 0 322.360 3.266 20 10 DGCDRN CC[C@H](COc1cccc2c1C(=O)c1ccccc1C2=O)OC ZINC001228078922 1097046768 /nfs/dbraw/zinc/04/67/68/1097046768.db2.gz KJPOIEFTQJJARV-GFCCVEGCSA-N 0 0 310.349 3.266 20 10 DGCDRN CC[C@@H](Oc1ccc(N2CCN(C(C)=O)CC2)cc1)C(C)C ZINC001228199707 1097071818 /nfs/dbraw/zinc/07/18/18/1097071818.db2.gz PXYVFCZEMPHQKT-GOSISDBHSA-N 0 0 304.434 3.169 20 10 DGCDRN CC1(C)C[C@@H]([NH2+]Cc2cc(Cl)c3cccnc3c2[O-])CO1 ZINC001172274695 1097088076 /nfs/dbraw/zinc/08/80/76/1097088076.db2.gz APLFLKMEFMMVNV-LLVKDONJSA-N 0 0 306.793 3.251 20 10 DGCDRN CC(=O)c1cccc(-c2noc(-c3nnsc3C3CC3)n2)c1 ZINC001212679556 1097227246 /nfs/dbraw/zinc/22/72/46/1097227246.db2.gz JMIKPXVLGYQRMJ-UHFFFAOYSA-N 0 0 312.354 3.335 20 10 DGCDRN CCc1cccnc1-c1noc(-c2nnsc2C(C)C)n1 ZINC001212687272 1097260089 /nfs/dbraw/zinc/26/00/89/1097260089.db2.gz KPEQWYHJTPVZQF-UHFFFAOYSA-N 0 0 301.375 3.336 20 10 DGCDRN C[C@H](NC(=O)N1Cc2cccc(O)c2C1)c1ccc(F)cc1F ZINC001229811470 1097390936 /nfs/dbraw/zinc/39/09/36/1097390936.db2.gz AJMQOMMCABDUER-JTQLQIEISA-N 0 0 318.323 3.457 20 10 DGCDRN NC(=O)c1ccc(Nc2ccccc2C(=O)c2ccncc2)cc1 ZINC001174051588 1097582201 /nfs/dbraw/zinc/58/22/01/1097582201.db2.gz XRNUTEVITJEQQS-UHFFFAOYSA-N 0 0 317.348 3.155 20 10 DGCDRN Cn1cc(Nc2ccc(NC(=O)Nc3ccc(N)cc3)cc2)cn1 ZINC001174332017 1097679537 /nfs/dbraw/zinc/67/95/37/1097679537.db2.gz IVTABWLMRGOYTL-UHFFFAOYSA-N 0 0 322.372 3.390 20 10 DGCDRN Cn1cc(N(c2ccc(N)cc2)c2ccc(N)cc2)ccc1=O ZINC001174359191 1097695192 /nfs/dbraw/zinc/69/51/92/1097695192.db2.gz HPUMOUALBLGHQV-UHFFFAOYSA-N 0 0 306.369 3.020 20 10 DGCDRN O=C(c1ccc(O)c(O)c1)c1ccc(O)cc1O[C@H]1C=CCC1 ZINC001231344782 1097726079 /nfs/dbraw/zinc/72/60/79/1097726079.db2.gz LQBPPTJJHREASF-ZDUSSCGKSA-N 0 0 312.321 3.132 20 10 DGCDRN O=C([O-])c1ccc(C[N@@H+]2CC[C@H](C3CCCCC3)C2)c(O)c1 ZINC001231455440 1097753007 /nfs/dbraw/zinc/75/30/07/1097753007.db2.gz NVRJJIPMNYCSAJ-HNNXBMFYSA-N 0 0 303.402 3.493 20 10 DGCDRN CC(C)=CNc1c(CC(N)=O)cccc1C(=O)c1ccccc1 ZINC001174556075 1097776278 /nfs/dbraw/zinc/77/62/78/1097776278.db2.gz MZDSMJRFYPKGIO-UHFFFAOYSA-N 0 0 308.381 3.281 20 10 DGCDRN COc1cc(CN2CCc3ccc(Cl)cc3C2)c(O)cc1O ZINC001231634413 1097796723 /nfs/dbraw/zinc/79/67/23/1097796723.db2.gz MFURAGBMMXDGDN-UHFFFAOYSA-N 0 0 319.788 3.318 20 10 DGCDRN COc1cc(CN2CCc3c(Cl)cccc3C2)c(O)cc1O ZINC001231637662 1097798320 /nfs/dbraw/zinc/79/83/20/1097798320.db2.gz PXTJMKPSYKYBBJ-UHFFFAOYSA-N 0 0 319.788 3.318 20 10 DGCDRN Cc1cc(C)c(CN2[C@@H](CO)CCC[C@@H]2C(F)(F)F)c(O)c1 ZINC001231842573 1097860301 /nfs/dbraw/zinc/86/03/01/1097860301.db2.gz OOEMQFVAKCCYQF-IUODEOHRSA-N 0 0 317.351 3.287 20 10 DGCDRN Cc1cc(C)c(CN2CC[C@H]2N(C)C(=O)OC(C)(C)C)c(O)c1 ZINC001231848776 1097863427 /nfs/dbraw/zinc/86/34/27/1097863427.db2.gz LZHZXUPABYRYQC-INIZCTEOSA-N 0 0 320.433 3.408 20 10 DGCDRN Cc1cc(O)c(CN2CCO[C@H](c3ccccn3)C2)cc1Cl ZINC001231870677 1097872712 /nfs/dbraw/zinc/87/27/12/1097872712.db2.gz NWAYPVVMUILOJR-KRWDZBQOSA-N 0 0 318.804 3.323 20 10 DGCDRN Oc1c(CN2CC(Oc3cccnc3)C2)ccc2ccccc21 ZINC001231882178 1097879184 /nfs/dbraw/zinc/87/91/84/1097879184.db2.gz MFFMPZQCDGHLOT-UHFFFAOYSA-N 0 0 306.365 3.204 20 10 DGCDRN CCOC(=O)[C@H]1CCCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001231912344 1097890054 /nfs/dbraw/zinc/89/00/54/1097890054.db2.gz FGLWLSRRFLSSES-ZDUSSCGKSA-N 0 0 311.809 3.211 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC(Oc2cccnc2)CC1 ZINC001231912164 1097890748 /nfs/dbraw/zinc/89/07/48/1097890748.db2.gz WUPNUTBBBPAWMN-UHFFFAOYSA-N 0 0 318.804 3.484 20 10 DGCDRN C[C@]1(CF)CC(F)(F)CN1Cc1cc(Cl)c(O)cc1O ZINC001232259388 1097985119 /nfs/dbraw/zinc/98/51/19/1097985119.db2.gz IIWMSHBYJANQTA-GFCCVEGCSA-N 0 0 309.715 3.320 20 10 DGCDRN COc1cc(O)c(CN2CC[C@](C)(F)[C@@H](F)C2)cc1Cl ZINC001232267103 1097987235 /nfs/dbraw/zinc/98/72/35/1097987235.db2.gz WJGINZJBLOHJAD-KBPBESRZSA-N 0 0 305.752 3.326 20 10 DGCDRN CN(C)c1ccc(CN2CCC[C@@H](F)C(F)(F)C2)c(O)c1 ZINC001232833500 1098148150 /nfs/dbraw/zinc/14/81/50/1098148150.db2.gz AFEHQOZICNWLHB-CQSZACIVSA-N 0 0 302.340 3.027 20 10 DGCDRN [O-]c1cc(Br)cc(F)c1C[N@@H+]1CCCC12CC2 ZINC001233027257 1098206491 /nfs/dbraw/zinc/20/64/91/1098206491.db2.gz PASKBIDGUIKDET-UHFFFAOYSA-N 0 0 300.171 3.422 20 10 DGCDRN Cc1cnccc1O[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001233080259 1098220438 /nfs/dbraw/zinc/22/04/38/1098220438.db2.gz UHOJKUGKIIFSRF-ZDUSSCGKSA-N 0 0 320.339 3.027 20 10 DGCDRN [O-]c1c(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)ccc(F)c1F ZINC001233079142 1098221245 /nfs/dbraw/zinc/22/12/45/1098221245.db2.gz XCSXHEXGOBIWPN-UHFFFAOYSA-N 0 0 321.323 3.030 20 10 DGCDRN O=C1CCC2(CC1)CC[NH+](Cc1ccc(F)c(F)c1[O-])CC2 ZINC001233079065 1098221420 /nfs/dbraw/zinc/22/14/20/1098221420.db2.gz SVLBISRUUXXWAV-UHFFFAOYSA-N 0 0 309.356 3.396 20 10 DGCDRN CN(C)c1ccc(C[N@H+](C)Cc2ccc(F)c(F)c2[O-])cc1 ZINC001233078853 1098221513 /nfs/dbraw/zinc/22/15/13/1098221513.db2.gz LVDQVWLCVHCYGS-UHFFFAOYSA-N 0 0 306.356 3.368 20 10 DGCDRN Cc1cc(Br)cc(C[N@@H+](CCCO)C(C)C)c1O ZINC001233109735 1098228174 /nfs/dbraw/zinc/22/81/74/1098228174.db2.gz BARLKKNKSCMCOI-UHFFFAOYSA-N 0 0 316.239 3.056 20 10 DGCDRN COc1cc(O)c(CN2CCC[C@H](F)C2)cc1Br ZINC001233138458 1098235348 /nfs/dbraw/zinc/23/53/48/1098235348.db2.gz ABCYTNFZMVTXEE-JTQLQIEISA-N 0 0 318.186 3.097 20 10 DGCDRN COc1cc(Cl)cc(CN2CCC(F)(F)[C@H](F)C2)c1O ZINC001233288077 1098277481 /nfs/dbraw/zinc/27/74/81/1098277481.db2.gz UWWRROSMIHGCKV-LLVKDONJSA-N 0 0 309.715 3.233 20 10 DGCDRN COc1ccc(N2CCN(Cc3sncc3C)CC2)c(C)c1 ZINC001233322704 1098289069 /nfs/dbraw/zinc/28/90/69/1098289069.db2.gz QDQJQVBGURSXBW-UHFFFAOYSA-N 0 0 317.458 3.091 20 10 DGCDRN Oc1ccc(F)c(F)c1CN1CCN(c2ccc(F)cc2)CC1 ZINC001233331887 1098291372 /nfs/dbraw/zinc/29/13/72/1098291372.db2.gz OWPLNOWEBUVDPC-UHFFFAOYSA-N 0 0 322.330 3.132 20 10 DGCDRN COc1ccc(CN(C)Cc2c(O)ccc(F)c2F)c(OC)c1 ZINC001233335062 1098292453 /nfs/dbraw/zinc/29/24/53/1098292453.db2.gz GDASDNSRVLDZIR-UHFFFAOYSA-N 0 0 323.339 3.320 20 10 DGCDRN CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1c([O-])ccc(F)c1F)C2 ZINC001233333555 1098293092 /nfs/dbraw/zinc/29/30/92/1098293092.db2.gz ZPDPUCAFDSDPOA-PXAZEXFGSA-N 0 0 311.372 3.309 20 10 DGCDRN C[N@@H+](Cc1c([O-])ccc(F)c1F)C[C@H]1Cc2ccccc2O1 ZINC001233336324 1098293673 /nfs/dbraw/zinc/29/36/73/1098293673.db2.gz HRVDEFMDICRAIO-GFCCVEGCSA-N 0 0 305.324 3.106 20 10 DGCDRN [O-]c1c(C[N@H+]2CCC[C@@](F)(CO)CC2)cccc1C(F)(F)F ZINC001233415932 1098321704 /nfs/dbraw/zinc/32/17/04/1098321704.db2.gz OROUTQWTIWQXMH-AWEZNQCLSA-N 0 0 321.314 3.098 20 10 DGCDRN COC[C@H]1CCCC[N@@H+]1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233415803 1098322528 /nfs/dbraw/zinc/32/25/28/1098322528.db2.gz IUUMANLAMIFKNU-GFCCVEGCSA-N 0 0 303.324 3.412 20 10 DGCDRN CC(=O)[C@@H]1CCCCN1Cc1cccc(C(F)(F)F)c1O ZINC001233419010 1098324234 /nfs/dbraw/zinc/32/42/34/1098324234.db2.gz FUNJSTQXYCEBIB-ZDUSSCGKSA-N 0 0 301.308 3.355 20 10 DGCDRN CC(C)[C@H]1COCCN1Cc1cccc(C(F)(F)F)c1O ZINC001233418797 1098324260 /nfs/dbraw/zinc/32/42/60/1098324260.db2.gz WXTBGTGALJWUKB-CYBMUJFWSA-N 0 0 303.324 3.268 20 10 DGCDRN CCOC1CC[NH+](Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233418265 1098325210 /nfs/dbraw/zinc/32/52/10/1098325210.db2.gz ZKYRIYWWRDVLFR-UHFFFAOYSA-N 0 0 303.324 3.412 20 10 DGCDRN CCN1CCc2cc(O[C@H]3CCCC4(C3)OCCO4)ccc21 ZINC001233602212 1098386327 /nfs/dbraw/zinc/38/63/27/1098386327.db2.gz QBWXWBVBSBTZDW-INIZCTEOSA-N 0 0 303.402 3.134 20 10 DGCDRN CCN1CCc2cc(OC[C@H]3COc4cscc4O3)ccc21 ZINC001233602633 1098386720 /nfs/dbraw/zinc/38/67/20/1098386720.db2.gz YBVCDFPHSAESSO-AWEZNQCLSA-N 0 0 317.410 3.349 20 10 DGCDRN COc1ccc2ccc(O)c(CN3CCC[C@@H](F)C(=O)C3)c2c1 ZINC001234526507 1098583911 /nfs/dbraw/zinc/58/39/11/1098583911.db2.gz WRAOREGYKJUHJE-MRXNPFEDSA-N 0 0 317.360 3.057 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@H]3C(C)(C)O)c2c1 ZINC001234562177 1098602445 /nfs/dbraw/zinc/60/24/45/1098602445.db2.gz JGXBSEGNDVSACE-SFHVURJKSA-N 0 0 315.413 3.289 20 10 DGCDRN CC(C)c1ccnc(CC(=O)N2CCc3cccc(O)c3C2)c1 ZINC001178223258 1098761752 /nfs/dbraw/zinc/76/17/52/1098761752.db2.gz AVUDCNMISFINMT-UHFFFAOYSA-N 0 0 310.397 3.038 20 10 DGCDRN CSc1ccc(NC(=O)NCc2cc(Cl)ccc2O)nc1 ZINC001203258282 1098846824 /nfs/dbraw/zinc/84/68/24/1098846824.db2.gz TWBQSVWRPONOHG-UHFFFAOYSA-N 0 0 323.805 3.484 20 10 DGCDRN CC1(C)CCCN(CC[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC001178581524 1098864480 /nfs/dbraw/zinc/86/44/80/1098864480.db2.gz PBJHPSQFYGKHAF-UHFFFAOYSA-N 0 0 314.832 3.396 20 10 DGCDRN [O-]c1c(Br)cc(F)cc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001235306949 1098952077 /nfs/dbraw/zinc/95/20/77/1098952077.db2.gz ZWLIZEGBRMNKNP-JWYUURKGSA-N 0 0 318.161 3.226 20 10 DGCDRN CC(C)COc1cccc(C(=O)NCc2c(O)cccc2O)c1 ZINC001178906024 1098968057 /nfs/dbraw/zinc/96/80/57/1098968057.db2.gz XGRCTFQBFDZVFD-UHFFFAOYSA-N 0 0 315.369 3.063 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)[C@H]1CCCc2n[nH]cc21 ZINC001179032583 1099006387 /nfs/dbraw/zinc/00/63/87/1099006387.db2.gz MNDGBJCMAFHJJD-AWEZNQCLSA-N 0 0 321.380 3.005 20 10 DGCDRN Cc1cc(CC(=O)NCc2cnoc2C)c(C)n1-c1ccccc1 ZINC001179110311 1099020581 /nfs/dbraw/zinc/02/05/81/1099020581.db2.gz RTQIWQTYFQXFND-UHFFFAOYSA-N 0 0 323.396 3.249 20 10 DGCDRN CC(C)(C)c1ccc(CN2CC(F)(F)CC[C@H]2CO)c(O)c1 ZINC001235676448 1099120545 /nfs/dbraw/zinc/12/05/45/1099120545.db2.gz SOWPGUAULQKWTL-AWEZNQCLSA-N 0 0 313.388 3.282 20 10 DGCDRN C[C@H]1Cc2cc(NC(=O)c3ccc(N=NC(N)=O)cc3)ccc2O1 ZINC001179509610 1099128768 /nfs/dbraw/zinc/12/87/68/1099128768.db2.gz GMOJIRQBFCJAKB-JTQLQIEISA-N 0 0 324.340 3.425 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(F)c2cnccc12 ZINC001179687376 1099163289 /nfs/dbraw/zinc/16/32/89/1099163289.db2.gz KJHVGHBFQIMZAJ-QHHAFSJGSA-N 0 0 324.311 3.437 20 10 DGCDRN CCN(Cc1ccccc1O)Cc1ccnc(OC)c1Cl ZINC001235839303 1099202468 /nfs/dbraw/zinc/20/24/68/1099202468.db2.gz JUUQDVFOCVULMQ-UHFFFAOYSA-N 0 0 306.793 3.471 20 10 DGCDRN CCCCC(=O)[C@H](C)NC(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180129653 1099307319 /nfs/dbraw/zinc/30/73/19/1099307319.db2.gz AUBZFYJFZBYCAJ-UELRPHRMSA-N 0 0 302.418 3.030 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)NC[C@@H]2CCOC(C)(C)C2)cc1 ZINC001180130691 1099309884 /nfs/dbraw/zinc/30/98/84/1099309884.db2.gz WEAXWUBQHADNET-OJXHRBAXSA-N 0 0 316.445 3.087 20 10 DGCDRN C[C@@H](CCCC(C)(C)O)NC(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180129941 1099309981 /nfs/dbraw/zinc/30/99/81/1099309981.db2.gz NGTFYEXSZPJONH-VOMSXAGXSA-N 0 0 318.461 3.212 20 10 DGCDRN Cc1ccc(CO)cc1NC(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180122205 1099320914 /nfs/dbraw/zinc/32/09/14/1099320914.db2.gz LULWAXSDCIVGBY-DHZHZOJOSA-N 0 0 310.397 3.205 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)N2CCCC(F)(F)CC2)cc1 ZINC001180122225 1099320924 /nfs/dbraw/zinc/32/09/24/1099320924.db2.gz MHYXPOJERCIAPQ-RMKNXTFCSA-N 0 0 308.372 3.414 20 10 DGCDRN CC(C)Oc1ncccc1-c1ccn(Cc2ccccn2)c(=O)c1 ZINC001236106440 1099394111 /nfs/dbraw/zinc/39/41/11/1099394111.db2.gz QUXQHTXSFBLBCN-UHFFFAOYSA-N 0 0 321.380 3.141 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1c(F)ccc(F)c1F ZINC001180410853 1099412079 /nfs/dbraw/zinc/41/20/79/1099412079.db2.gz SKYXBJGVEALOTQ-UHFFFAOYSA-N 0 0 315.678 3.393 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1cc2c(o1)CCCC2 ZINC001180420819 1099416139 /nfs/dbraw/zinc/41/61/39/1099416139.db2.gz PSLURICMIJCNBP-UHFFFAOYSA-N 0 0 305.761 3.447 20 10 DGCDRN Cn1c(=O)ccc2ccc(-c3cccnc3N3CCCC3)cc21 ZINC001236136499 1099423167 /nfs/dbraw/zinc/42/31/67/1099423167.db2.gz PAKACLHUEDQCOM-UHFFFAOYSA-N 0 0 305.381 3.201 20 10 DGCDRN Nc1cccc2c1CCN(Cc1cc(F)c(Cl)cc1O)C2 ZINC001236365114 1099553221 /nfs/dbraw/zinc/55/32/21/1099553221.db2.gz DENRCYRKEGWMEZ-UHFFFAOYSA-N 0 0 306.768 3.325 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CC[C@@H](C)C[C@@H](C)C2)cc1OC ZINC001187647837 1099575563 /nfs/dbraw/zinc/57/55/63/1099575563.db2.gz PQMCNXGSHKCGKS-VXGBXAGGSA-N 0 0 308.378 3.484 20 10 DGCDRN CSc1cccc(NC(=O)NCc2ccc(O)cc2O)c1 ZINC001188060931 1099674537 /nfs/dbraw/zinc/67/45/37/1099674537.db2.gz RLGRNHPQQGHREP-UHFFFAOYSA-N 0 0 304.371 3.141 20 10 DGCDRN Cc1n[nH]cc1C(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001188065661 1099676133 /nfs/dbraw/zinc/67/61/33/1099676133.db2.gz WJRQKWOVAJLORN-MRXNPFEDSA-N 0 0 313.401 3.094 20 10 DGCDRN Cc1cc(C(=O)NCc2cc(Cl)c3cccnc3c2O)c[nH]1 ZINC001188200871 1099711769 /nfs/dbraw/zinc/71/17/69/1099711769.db2.gz HVJCARBYZGMLGX-UHFFFAOYSA-N 0 0 315.760 3.160 20 10 DGCDRN Cc1cc(Br)c(O)c(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c1 ZINC001236665009 1099731976 /nfs/dbraw/zinc/73/19/76/1099731976.db2.gz ZZOMXQMGTWXHMU-XHVZSJERSA-N 0 0 314.198 3.253 20 10 DGCDRN Cc1cc(Br)c(O)c(CN2CCn3cccc3C2)c1 ZINC001236665255 1099732214 /nfs/dbraw/zinc/73/22/14/1099732214.db2.gz IISASPUFSPMZOS-UHFFFAOYSA-N 0 0 321.218 3.280 20 10 DGCDRN COc1cc(CN2CC3(CCC3)C2)c(O)cc1Br ZINC001236746821 1099770546 /nfs/dbraw/zinc/77/05/46/1099770546.db2.gz HDFOOAYLZNBNPY-UHFFFAOYSA-N 0 0 312.207 3.149 20 10 DGCDRN COc1cc(O)c(CN2CCCC[C@@H]2C(F)(F)F)cc1OC ZINC001236756185 1099772194 /nfs/dbraw/zinc/77/21/94/1099772194.db2.gz KXMNZJVIZTVPHU-CQSZACIVSA-N 0 0 319.323 3.326 20 10 DGCDRN [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1CCCC2(COC2)C1 ZINC001236790875 1099788584 /nfs/dbraw/zinc/78/85/84/1099788584.db2.gz WASWDCFTQMZILE-UHFFFAOYSA-N 0 0 302.201 3.311 20 10 DGCDRN COc1cc(O)c(CN(C)Cc2cccc(O)c2)c(Cl)c1 ZINC001236798384 1099793156 /nfs/dbraw/zinc/79/31/56/1099793156.db2.gz NTUJDZHCOKMEQS-UHFFFAOYSA-N 0 0 307.777 3.392 20 10 DGCDRN [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001236798666 1099793347 /nfs/dbraw/zinc/79/33/47/1099793347.db2.gz JSMBQIBZCQYCRQ-AWEZNQCLSA-N 0 0 302.201 3.454 20 10 DGCDRN [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001236799190 1099793502 /nfs/dbraw/zinc/79/35/02/1099793502.db2.gz MAFOVFJNQJWUOF-YMTOWFKASA-N 0 0 302.201 3.310 20 10 DGCDRN COc1cc(O)c(CN2CCc3ncccc3C2)c(Cl)c1 ZINC001236800978 1099793771 /nfs/dbraw/zinc/79/37/71/1099793771.db2.gz CKIZIPUQALDOPO-UHFFFAOYSA-N 0 0 304.777 3.008 20 10 DGCDRN COc1cc(O)c(CN2Cc3nc(C)sc3C2)c(Cl)c1 ZINC001236805625 1099799372 /nfs/dbraw/zinc/79/93/72/1099799372.db2.gz IJXUWMPYKKRYNA-UHFFFAOYSA-N 0 0 310.806 3.335 20 10 DGCDRN COc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)c([O-])c1Cl ZINC001236807779 1099800300 /nfs/dbraw/zinc/80/03/00/1099800300.db2.gz RBVFSSJQPIKRCF-UHFFFAOYSA-N 0 0 319.788 3.318 20 10 DGCDRN CCC[N@H+](Cc1ccc(OC)c(Cl)c1[O-])C1CCOCC1 ZINC001236809991 1099800481 /nfs/dbraw/zinc/80/04/81/1099800481.db2.gz PPPZDQXOONXIGC-UHFFFAOYSA-N 0 0 313.825 3.445 20 10 DGCDRN COc1ccc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)c([O-])c1Cl ZINC001236811759 1099802162 /nfs/dbraw/zinc/80/21/62/1099802162.db2.gz NZQXDAJWNMMGFR-GFCCVEGCSA-N 0 0 318.804 3.439 20 10 DGCDRN COc1ccc(C[NH+]2CCC(SC)CC2)c([O-])c1Cl ZINC001236812490 1099803054 /nfs/dbraw/zinc/80/30/54/1099803054.db2.gz XJXKHHMYFWBYNT-UHFFFAOYSA-N 0 0 301.839 3.382 20 10 DGCDRN COC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2O)[C@@H]1C ZINC001237048416 1099942826 /nfs/dbraw/zinc/94/28/26/1099942826.db2.gz FWPFDBONMOTUCS-CJNGLKHVSA-N 0 0 305.418 3.289 20 10 DGCDRN CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2O)C1 ZINC001237050234 1099945560 /nfs/dbraw/zinc/94/55/60/1099945560.db2.gz ZUQGLZOPAPAKNR-MRXNPFEDSA-N 0 0 305.418 3.291 20 10 DGCDRN CC(C)c1ccc(CN2CCn3c(nnc3C3CC3)C2)c(O)c1 ZINC001237049978 1099945889 /nfs/dbraw/zinc/94/58/89/1099945889.db2.gz VHEHSDWJHMJZOM-UHFFFAOYSA-N 0 0 312.417 3.000 20 10 DGCDRN Oc1ccc(Cl)c(Cl)c1CN1CCOCC(F)(F)C1 ZINC001237078874 1099951821 /nfs/dbraw/zinc/95/18/21/1099951821.db2.gz ZDIIJELQSIUUDP-UHFFFAOYSA-N 0 0 312.143 3.167 20 10 DGCDRN [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CCC[C@H](CCO)C1 ZINC001237080785 1099959135 /nfs/dbraw/zinc/95/91/35/1099959135.db2.gz FNRMCLVJXJALHN-SNVBAGLBSA-N 0 0 304.217 3.293 20 10 DGCDRN [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001237084556 1099960501 /nfs/dbraw/zinc/96/05/01/1099960501.db2.gz KIFZFGZRHQBQPT-ZANVPECISA-N 0 0 302.201 3.310 20 10 DGCDRN [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001237084545 1099961226 /nfs/dbraw/zinc/96/12/26/1099961226.db2.gz KIFZFGZRHQBQPT-NOZJJQNGSA-N 0 0 302.201 3.310 20 10 DGCDRN COC(=O)C[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc(Cl)c1Cl ZINC001237085429 1099965461 /nfs/dbraw/zinc/96/54/61/1099965461.db2.gz ZQIKVBVGKYAAKN-VIFPVBQESA-N 0 0 318.200 3.227 20 10 DGCDRN CC(=O)[C@@H]1CCCN(Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237123187 1099982622 /nfs/dbraw/zinc/98/26/22/1099982622.db2.gz NDNMPMIPCCOZOQ-LLVKDONJSA-N 0 0 317.307 3.092 20 10 DGCDRN CCCN(CCC[NH+](C)C)Cc1c(O)ccc(F)c1Cl ZINC001237128216 1099984365 /nfs/dbraw/zinc/98/43/65/1099984365.db2.gz MQJAENGVUVLDJB-UHFFFAOYSA-N 0 0 302.821 3.348 20 10 DGCDRN Oc1ccc(C(F)(F)F)cc1CN1CCc2cnccc2C1 ZINC001237138167 1099988178 /nfs/dbraw/zinc/98/81/78/1099988178.db2.gz VBWJHRIASMTWCE-UHFFFAOYSA-N 0 0 308.303 3.364 20 10 DGCDRN CCCCN(CCCC)c1ccc(CN2CC(=O)C2)c(O)c1 ZINC001237209477 1100033984 /nfs/dbraw/zinc/03/39/84/1100033984.db2.gz YRGKMQDEJBGJSU-UHFFFAOYSA-N 0 0 304.434 3.184 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237384431 1100102989 /nfs/dbraw/zinc/10/29/89/1100102989.db2.gz WSGOFQFLNHYSMB-QMTHXVAHSA-N 0 0 315.244 3.273 20 10 DGCDRN Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001237489378 1100141163 /nfs/dbraw/zinc/14/11/63/1100141163.db2.gz GNVNOUVBTHKYLO-CQSZACIVSA-N 0 0 305.418 3.254 20 10 DGCDRN Cc1cccc(O)c1C[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001237489865 1100141871 /nfs/dbraw/zinc/14/18/71/1100141871.db2.gz LSAYQPKIBNLZIJ-INIZCTEOSA-N 0 0 301.361 3.493 20 10 DGCDRN C[C@H]1C[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C[C@H]1O ZINC001237642135 1100200052 /nfs/dbraw/zinc/20/00/52/1100200052.db2.gz ZXBRRNODPHSBSK-KPZWWZAWSA-N 0 0 301.361 3.011 20 10 DGCDRN C[C@@H](NC(=O)Nc1cccc2nsnc21)c1ccccc1O ZINC001190321382 1100240197 /nfs/dbraw/zinc/24/01/97/1100240197.db2.gz OIFAYIDNIQZOLC-SECBINFHSA-N 0 0 314.370 3.280 20 10 DGCDRN CC[C@@H](C)[N@H+](C)Cc1cccc(I)c1[O-] ZINC001237777936 1100246275 /nfs/dbraw/zinc/24/62/75/1100246275.db2.gz QPSAPKSEUFUDBH-SECBINFHSA-N 0 0 319.186 3.227 20 10 DGCDRN CC[N@H+](Cc1cccc(I)c1[O-])C(C)C ZINC001237782610 1100246723 /nfs/dbraw/zinc/24/67/23/1100246723.db2.gz FJUAGUJAFSDLRA-UHFFFAOYSA-N 0 0 319.186 3.227 20 10 DGCDRN CCN(CC[NH+](CC)CC)Cc1cc(F)cc(Cl)c1[O-] ZINC001237812234 1100255129 /nfs/dbraw/zinc/25/51/29/1100255129.db2.gz FCJORXNXALYSKZ-UHFFFAOYSA-N 0 0 302.821 3.348 20 10 DGCDRN CCOC(=O)[C@H]1CCCCN1Cc1cc(F)c(Cl)cc1O ZINC001237937233 1100296911 /nfs/dbraw/zinc/29/69/11/1100296911.db2.gz ONICVEGCULPBMU-CYBMUJFWSA-N 0 0 315.772 3.102 20 10 DGCDRN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC001237937700 1100297340 /nfs/dbraw/zinc/29/73/40/1100297340.db2.gz UAPZBFANUCMMGI-ZDUSSCGKSA-N 0 0 322.767 3.233 20 10 DGCDRN Cc1cc(F)cc(C[N@H+](C)C[C@@H]2Cc3ccccc3O2)c1O ZINC001238066777 1100347565 /nfs/dbraw/zinc/34/75/65/1100347565.db2.gz PZYIPFJKWVPUHB-INIZCTEOSA-N 0 0 301.361 3.275 20 10 DGCDRN CCOC(=O)[C@H]1C[C@H](C)CCN1Cc1cc(F)cc(C)c1O ZINC001238071153 1100350841 /nfs/dbraw/zinc/35/08/41/1100350841.db2.gz UMPXYDJIGFVWLD-IAQYHMDHSA-N 0 0 309.381 3.003 20 10 DGCDRN Cc1cc(F)cc(CN2CCO[C@@H](Cc3ccccc3)C2)c1O ZINC001238069966 1100351128 /nfs/dbraw/zinc/35/11/28/1100351128.db2.gz LPDSNIBKRMKRCB-SFHVURJKSA-N 0 0 315.388 3.283 20 10 DGCDRN Cc1c[nH]c(C(=O)N[C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)n1 ZINC001191109574 1100402451 /nfs/dbraw/zinc/40/24/51/1100402451.db2.gz AKFHCVOITPPFTM-OAHLLOKOSA-N 0 0 313.401 3.094 20 10 DGCDRN COc1ccc(CN(C)Cc2ccc(N(C)C)cc2)c(F)c1O ZINC001238364913 1100426930 /nfs/dbraw/zinc/42/69/30/1100426930.db2.gz UJNWYOBMTAXXMN-UHFFFAOYSA-N 0 0 318.392 3.238 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2cn(-c3ccccc3)cn2)c(O)c1 ZINC001191597130 1100493457 /nfs/dbraw/zinc/49/34/57/1100493457.db2.gz NBUOJXYAMZSJDY-UHFFFAOYSA-N 0 0 321.380 3.125 20 10 DGCDRN COC(=O)CCCN1CCCc2cc(OC(F)(F)F)ccc21 ZINC001191712520 1100500577 /nfs/dbraw/zinc/50/05/77/1100500577.db2.gz XOEYWIIEOKBYLB-UHFFFAOYSA-N 0 0 317.307 3.291 20 10 DGCDRN O=c1cc(-c2cnn(C(F)F)c2)ccn1Cc1cccc(F)c1 ZINC001238869048 1100548833 /nfs/dbraw/zinc/54/88/33/1100548833.db2.gz MNVJDIHYYOIAMO-UHFFFAOYSA-N 0 0 319.286 3.294 20 10 DGCDRN O=C(N[C@@H]1CCc2ccccc21)N1CCc2cccc(O)c2C1 ZINC001192983519 1100684328 /nfs/dbraw/zinc/68/43/28/1100684328.db2.gz GKVZOWJZTXPDKY-QGZVFWFLSA-N 0 0 308.381 3.147 20 10 DGCDRN Cc1cc(C)c(CNC(=O)N[C@@H]2CCc3ccccc32)c(O)c1 ZINC001193009702 1100691057 /nfs/dbraw/zinc/69/10/57/1100691057.db2.gz IQSCKRCBDOYEDG-QGZVFWFLSA-N 0 0 310.397 3.496 20 10 DGCDRN O=C(Nc1cnc(C2CC2)s1)c1ccc(O)c(O)c1Cl ZINC001193218893 1100717746 /nfs/dbraw/zinc/71/77/46/1100717746.db2.gz DMFKWZKANWJXMP-UHFFFAOYSA-N 0 0 310.762 3.337 20 10 DGCDRN Cc1cc(NC(=O)c2ccc(O)c(O)c2Cl)n(C2CCC2)n1 ZINC001193219392 1100718854 /nfs/dbraw/zinc/71/88/54/1100718854.db2.gz GUPJDCVTPNEPQC-UHFFFAOYSA-N 0 0 321.764 3.233 20 10 DGCDRN O=C(NCc1sccc1Cl)c1ccc(O)c(O)c1Cl ZINC001193246809 1100720296 /nfs/dbraw/zinc/72/02/96/1100720296.db2.gz CFJMEEBZQQTOIH-UHFFFAOYSA-N 0 0 318.181 3.396 20 10 DGCDRN CCc1ccc(NC(=O)c2ccc(O)c(O)c2Cl)c(O)c1 ZINC001193230134 1100721991 /nfs/dbraw/zinc/72/19/91/1100721991.db2.gz QKECIFAWWJOVGC-UHFFFAOYSA-N 0 0 307.733 3.272 20 10 DGCDRN CS(=O)(=O)c1ccc(-c2ccc(C3=S=CC=C3)cc2)cc1 ZINC001239701932 1100728795 /nfs/dbraw/zinc/72/87/95/1100728795.db2.gz UGYZBEBXRDHLJW-UHFFFAOYSA-N 0 0 314.431 3.383 20 10 DGCDRN CCCC[C@@H](CC)COC(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001193983909 1100849473 /nfs/dbraw/zinc/84/94/73/1100849473.db2.gz OFSXASBJEHITMA-GFCCVEGCSA-N 0 0 323.389 3.223 20 10 DGCDRN Cc1n[nH]c(C)c1-c1ncccc1C(=O)N1CCc2ccccc21 ZINC001240125276 1100873429 /nfs/dbraw/zinc/87/34/29/1100873429.db2.gz OFJYRDICCZFFOL-UHFFFAOYSA-N 0 0 318.380 3.291 20 10 DGCDRN CC(C)(C)COC(=O)NCc1ccc(Br)cc1O ZINC001194408931 1100936925 /nfs/dbraw/zinc/93/69/25/1100936925.db2.gz GUVFMARSZFCGCI-UHFFFAOYSA-N 0 0 316.195 3.427 20 10 DGCDRN Cc1cccc(C)c1S(=O)(=O)Nc1ccc(O)c(Cl)c1 ZINC001194638089 1100978887 /nfs/dbraw/zinc/97/88/87/1100978887.db2.gz HTCIUJZUTUMGNV-UHFFFAOYSA-N 0 0 311.790 3.463 20 10 DGCDRN Cc1cccc(C)c1S(=O)(=O)Nc1c(F)cc(O)cc1F ZINC001194642391 1100979336 /nfs/dbraw/zinc/97/93/36/1100979336.db2.gz DOKHHBHOIWDNDB-UHFFFAOYSA-N 0 0 313.325 3.088 20 10 DGCDRN Cn1ccc2ccc(-c3nc(C(F)(F)F)nc4[nH]cnc43)cc21 ZINC001240572867 1101055617 /nfs/dbraw/zinc/05/56/17/1101055617.db2.gz YQRJIICWQHOIMD-UHFFFAOYSA-N 0 0 317.274 3.482 20 10 DGCDRN Cn1ccc2ccc(-c3cncc(CN4CCOCC4)c3)cc21 ZINC001240575240 1101055702 /nfs/dbraw/zinc/05/57/02/1101055702.db2.gz VGJUIFJBXWJSDK-UHFFFAOYSA-N 0 0 307.397 3.073 20 10 DGCDRN Cc1cc(NS(=O)(=O)CC[Si](C)(C)C)c(C)cc1O ZINC001195069078 1101062769 /nfs/dbraw/zinc/06/27/69/1101062769.db2.gz ZUHYPJXSCKOCMN-UHFFFAOYSA-N 0 0 301.484 3.089 20 10 DGCDRN COc1cc(-c2cc(N(C)c3ccccc3)ncn2)cnc1OC ZINC001240620491 1101074255 /nfs/dbraw/zinc/07/42/55/1101074255.db2.gz JQSWFACBMDVLJG-UHFFFAOYSA-N 0 0 322.368 3.324 20 10 DGCDRN Cc1cccc(Cl)c1S(=O)(=O)Nc1ccc(O)cc1C ZINC001195309125 1101120008 /nfs/dbraw/zinc/12/00/08/1101120008.db2.gz HVSOEVRPKBNQRH-UHFFFAOYSA-N 0 0 311.790 3.463 20 10 DGCDRN COC(=O)c1cnc(-c2cnc3[nH]cc(C)c3c2)c2ccn(C)c21 ZINC001240945564 1101190422 /nfs/dbraw/zinc/19/04/22/1101190422.db2.gz IHMJBXDDKMZKJW-UHFFFAOYSA-N 0 0 320.352 3.212 20 10 DGCDRN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccc(O)cc1 ZINC001195794668 1101202325 /nfs/dbraw/zinc/20/23/25/1101202325.db2.gz FMTZKGCPBHGYNL-UHFFFAOYSA-N 0 0 321.398 3.330 20 10 DGCDRN COc1cnc(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)o1 ZINC001195801005 1101205231 /nfs/dbraw/zinc/20/52/31/1101205231.db2.gz OXZMYNLTECYLQT-UHFFFAOYSA-N 0 0 323.352 3.112 20 10 DGCDRN Cn1ccc(-c2nc3ccccc3nc2C(F)(F)F)cc1=O ZINC001240977743 1101207227 /nfs/dbraw/zinc/20/72/27/1101207227.db2.gz MBVGJLUEJNTYRL-UHFFFAOYSA-N 0 0 305.259 3.014 20 10 DGCDRN COC(=O)c1cc(CN(C)c2ccc(OC)cc2)c(C)s1 ZINC001195818540 1101208792 /nfs/dbraw/zinc/20/87/92/1101208792.db2.gz GICUWTVTZMERTE-UHFFFAOYSA-N 0 0 305.399 3.488 20 10 DGCDRN Cc1cc(-c2nccn2C)c(-c2cccnc2OC(C)(C)C)nn1 ZINC001241137069 1101270693 /nfs/dbraw/zinc/27/06/93/1101270693.db2.gz VBSJWONOTLGQPU-UHFFFAOYSA-N 0 0 323.400 3.425 20 10 DGCDRN Cn1cccc1CNC(=S)Nc1ccc(Br)cc1 ZINC001196630380 1101352692 /nfs/dbraw/zinc/35/26/92/1101352692.db2.gz MNSQYPKOWZACRY-UHFFFAOYSA-N 0 0 324.247 3.274 20 10 DGCDRN Cn1cc(C2=CCN(c3ccccc3)CC2)c2cc[nH]c2c1=O ZINC001241356179 1101399611 /nfs/dbraw/zinc/39/96/11/1101399611.db2.gz UZGUNVOMPRVTSS-UHFFFAOYSA-N 0 0 305.381 3.160 20 10 DGCDRN CCNC(=O)c1cncc(C2=CCN(c3ccccc3)CC2)c1 ZINC001241355144 1101400195 /nfs/dbraw/zinc/40/01/95/1101400195.db2.gz PTALCAWURURDME-UHFFFAOYSA-N 0 0 307.397 3.125 20 10 DGCDRN CCOc1ccnc(CNC(=S)Nc2ccc(F)cc2)c1 ZINC001196964705 1101447619 /nfs/dbraw/zinc/44/76/19/1101447619.db2.gz WUTKTFDNEKEMOZ-UHFFFAOYSA-N 0 0 305.378 3.106 20 10 DGCDRN Cc1noc(C(C)C)c1C(=O)N1CCc2cccc(O)c2C1 ZINC001197353231 1101537815 /nfs/dbraw/zinc/53/78/15/1101537815.db2.gz VBLAKUAIYIWZTK-UHFFFAOYSA-N 0 0 300.358 3.011 20 10 DGCDRN Cn1c(=O)ccc2ccc(-c3cnn(-c4ccccc4)c3)cc21 ZINC001241756666 1101687259 /nfs/dbraw/zinc/68/72/59/1101687259.db2.gz KKZQXTAJINOSLA-UHFFFAOYSA-N 0 0 301.349 3.391 20 10 DGCDRN COc1cc(C)c(-c2ccn(Cc3cccc(F)c3)c(=O)c2)cn1 ZINC001241773209 1101698020 /nfs/dbraw/zinc/69/80/20/1101698020.db2.gz YSEZRJHNPWYXTQ-UHFFFAOYSA-N 0 0 324.355 3.415 20 10 DGCDRN Cn1ccc2c1cccc2-c1cccn(Cc2ccccn2)c1=O ZINC001241823672 1101730628 /nfs/dbraw/zinc/73/06/28/1101730628.db2.gz BCWWZBPRVOKHCG-UHFFFAOYSA-N 0 0 315.376 3.450 20 10 DGCDRN Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c3ccccc23)cn1 ZINC001198313839 1101813846 /nfs/dbraw/zinc/81/38/46/1101813846.db2.gz HGMASHYUVKNTAJ-UHFFFAOYSA-N 0 0 314.366 3.050 20 10 DGCDRN Cc1cccc(C)c1NC(=S)NCc1ccc(O)c(O)c1 ZINC001198377999 1101835518 /nfs/dbraw/zinc/83/55/18/1101835518.db2.gz NEHGWVIAFGFDLL-UHFFFAOYSA-N 0 0 302.399 3.201 20 10 DGCDRN O=c1ccc(-c2ncnc3c2ccn3Cc2ccccc2)c[nH]1 ZINC001242061428 1101888414 /nfs/dbraw/zinc/88/84/14/1101888414.db2.gz XYHNHPGBJNYDFA-UHFFFAOYSA-N 0 0 302.337 3.247 20 10 DGCDRN CC1=S=C(c2ccc(-c3ccc4c(c3)CCC4=O)nn2)C=C1 ZINC001242154688 1101945131 /nfs/dbraw/zinc/94/51/31/1101945131.db2.gz AYIUXBWMYFLUON-UHFFFAOYSA-N 0 0 306.390 3.288 20 10 DGCDRN C[C@@H]1CC[C@H](C[NH3+])N(Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001205851776 1101965533 /nfs/dbraw/zinc/96/55/33/1101965533.db2.gz BORFVSWLCXRIJX-NXEZZACHSA-N 0 0 303.233 3.258 20 10 DGCDRN CN(C)c1ccc(NC(=S)N(C)Cc2ccccc2O)cc1 ZINC001198748177 1101965573 /nfs/dbraw/zinc/96/55/73/1101965573.db2.gz JTLMBEQRAQTIGA-UHFFFAOYSA-N 0 0 315.442 3.287 20 10 DGCDRN O=c1cc(-c2cccc3cc[nH]c32)ccn1Cc1ccccn1 ZINC001242361614 1102076979 /nfs/dbraw/zinc/07/69/79/1102076979.db2.gz OGTLQGHZCCLEMS-UHFFFAOYSA-N 0 0 301.349 3.440 20 10 DGCDRN Cc1cc(-c2nccn2C)c(-c2cccnc2C(F)(F)F)nn1 ZINC001242374135 1102087093 /nfs/dbraw/zinc/08/70/93/1102087093.db2.gz HRRGMGMKJXWSDK-UHFFFAOYSA-N 0 0 319.290 3.266 20 10 DGCDRN C[C@H](COc1ccccc1F)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001199689177 1102184506 /nfs/dbraw/zinc/18/45/06/1102184506.db2.gz OXXOUFXUGMFXMB-SNVBAGLBSA-N 0 0 311.303 3.367 20 10 DGCDRN CCN(CC)c1ccc(CN(C)[C@H](C(=O)OC)C(C)C)cc1 ZINC001203941945 1102219766 /nfs/dbraw/zinc/21/97/66/1102219766.db2.gz IRMPHPLNEAZTSB-KRWDZBQOSA-N 0 0 306.450 3.162 20 10 DGCDRN Cn1c(=O)ccc2ccc(-c3cnc(C(F)(F)F)nc3)cc21 ZINC001242664164 1102272960 /nfs/dbraw/zinc/27/29/60/1102272960.db2.gz QACYNEIBJDBYBA-UHFFFAOYSA-N 0 0 305.259 3.014 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CC2(Cc3ccccc3)CC2)c1 ZINC001201548896 1102635101 /nfs/dbraw/zinc/63/51/01/1102635101.db2.gz BUZIAEQCNWITDX-UHFFFAOYSA-N 0 0 312.369 3.413 20 10 DGCDRN COc1ccc(NC(=O)N[C@@H](C)c2ccccc2O)c(Cl)n1 ZINC001201628069 1102677545 /nfs/dbraw/zinc/67/75/45/1102677545.db2.gz UPAKBXKDWJRZHG-VIFPVBQESA-N 0 0 321.764 3.332 20 10 DGCDRN Cc1ccccc1NC(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001202181669 1102875705 /nfs/dbraw/zinc/87/57/05/1102875705.db2.gz JBRJXLFLRZYPBW-UHFFFAOYSA-N 0 0 312.369 3.387 20 10 DGCDRN COC(=O)c1cnc(-c2cccnc2C2CC2)c2ccn(C)c21 ZINC001243684206 1102914351 /nfs/dbraw/zinc/91/43/51/1102914351.db2.gz DFYLHMUGTKPFEU-UHFFFAOYSA-N 0 0 307.353 3.299 20 10 DGCDRN CCN(Cc1ccccc1O)C(=O)Nc1cccc(OC)c1 ZINC001202274981 1102920711 /nfs/dbraw/zinc/92/07/11/1102920711.db2.gz UFFKRPNVLMXCMU-UHFFFAOYSA-N 0 0 300.358 3.455 20 10 DGCDRN COc1nccc(SC)c1-c1ccn(CC2CC2)c(=O)c1 ZINC001243728857 1102945366 /nfs/dbraw/zinc/94/53/66/1102945366.db2.gz DZWLGYBDXNHQDL-UHFFFAOYSA-N 0 0 302.399 3.051 20 10 DGCDRN CCN(Cc1ccccc1O)C(=O)Nc1ccc(OC)cc1 ZINC001202391019 1102980478 /nfs/dbraw/zinc/98/04/78/1102980478.db2.gz CWDIEETWYQEUFS-UHFFFAOYSA-N 0 0 300.358 3.455 20 10 DGCDRN CCn1cc(-c2cc(N(C)c3ccccc3)ncn2)ccc1=O ZINC001243837515 1103002807 /nfs/dbraw/zinc/00/28/07/1103002807.db2.gz USNZFLQUQBRDDD-UHFFFAOYSA-N 0 0 306.369 3.093 20 10 DGCDRN Fc1cccc(Cn2ccc3c2ncnc3C2=CNCCC2)c1 ZINC001243950213 1103076804 /nfs/dbraw/zinc/07/68/04/1103076804.db2.gz YJCZPOBPBLWREF-UHFFFAOYSA-N 0 0 308.360 3.343 20 10 DGCDRN CO[C@H]1CC[C@H](NC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001326202963 1103232783 /nfs/dbraw/zinc/23/27/83/1103232783.db2.gz YDDOLDYAMSVDSO-WMZOPIPTSA-N 0 0 312.413 3.391 20 10 DGCDRN Cn1c(=O)cnc2ccc(-c3ccccc3N3CCCC3)cc21 ZINC001244182245 1103261718 /nfs/dbraw/zinc/26/17/18/1103261718.db2.gz PHDAYVSSTFVJEO-UHFFFAOYSA-N 0 0 305.381 3.201 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccn(CC)n2)cc1 ZINC001326362032 1103289692 /nfs/dbraw/zinc/28/96/92/1103289692.db2.gz CSNQLYCDKPEGJV-UHFFFAOYSA-N 0 0 314.433 3.021 20 10 DGCDRN Cc1nc2c(ccn2C)c(-c2ccc(CC(F)(F)F)nc2)n1 ZINC001244287445 1103333943 /nfs/dbraw/zinc/33/39/43/1103333943.db2.gz GNWZVXWYTXBTJM-UHFFFAOYSA-N 0 0 306.291 3.444 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCC[C@H](F)C1 ZINC001326752212 1103428480 /nfs/dbraw/zinc/42/84/80/1103428480.db2.gz OSFMEABLPIQGJF-GJZGRUSLSA-N 0 0 307.413 3.141 20 10 DGCDRN Cc1cc(-c2nnc([C@H]3CCO[C@@H]3C)o2)c(C)n1-c1ccccn1 ZINC001327071499 1103512605 /nfs/dbraw/zinc/51/26/05/1103512605.db2.gz NHCWQFQHUQINAP-KGLIPLIRSA-N 0 0 324.384 3.432 20 10 DGCDRN CCOc1ncc(-c2ccn(Cc3ccccn3)c(=O)c2)cc1C ZINC001244685779 1103621703 /nfs/dbraw/zinc/62/17/03/1103621703.db2.gz ZTMGTLFJTWTCIE-UHFFFAOYSA-N 0 0 321.380 3.061 20 10 DGCDRN Nc1ccc(Cc2nc(C(=O)OCC3CC=CC3)cs2)cc1 ZINC001327476423 1103654991 /nfs/dbraw/zinc/65/49/91/1103654991.db2.gz NSJIFNGBKLQXHC-UHFFFAOYSA-N 0 0 314.410 3.439 20 10 DGCDRN Nc1c(Cl)cccc1-c1ccn(CC(F)(F)F)c(=O)c1 ZINC001245182789 1103894239 /nfs/dbraw/zinc/89/42/39/1103894239.db2.gz VWOLDXFJAVYTBI-UHFFFAOYSA-N 0 0 302.683 3.313 20 10 DGCDRN Cn1c(=O)cc(-c2cncn2Cc2ccccc2)c2ccccc21 ZINC001245202042 1103906178 /nfs/dbraw/zinc/90/61/78/1103906178.db2.gz OUSBJSSZECAGRQ-UHFFFAOYSA-N 0 0 315.376 3.450 20 10 DGCDRN CCCOc1ccc(-c2nnc(C)cc2-c2nccn2C)cn1 ZINC001245227758 1103919441 /nfs/dbraw/zinc/91/94/41/1103919441.db2.gz IXJVGHNUPYNXII-UHFFFAOYSA-N 0 0 309.373 3.036 20 10 DGCDRN CCOC(=O)C(C)(C)n1cc(-c2cccc3c2ccn3C)cn1 ZINC001245437951 1104058655 /nfs/dbraw/zinc/05/86/55/1104058655.db2.gz IYYDCEWDLMTVPC-UHFFFAOYSA-N 0 0 311.385 3.340 20 10 DGCDRN CCC[C@H](C)c1cc(NC(=O)C=Cc2ccc(O)c(O)c2)n[nH]1 ZINC001329333501 1104223573 /nfs/dbraw/zinc/22/35/73/1104223573.db2.gz DMDNFJKGJYCFGK-JYKYSHPRSA-N 0 0 315.373 3.376 20 10 DGCDRN COc1nc(OC)c(-c2cnc3ccn(C)c3c2)cc1SC ZINC001245781537 1104234586 /nfs/dbraw/zinc/23/45/86/1104234586.db2.gz YIMMKPXHCOOWIU-UHFFFAOYSA-N 0 0 315.398 3.374 20 10 DGCDRN Cc1ccc2c(c1)S[C@H](C(=O)NCc1cc(C)ccc1O)C2 ZINC001329543167 1104311304 /nfs/dbraw/zinc/31/13/04/1104311304.db2.gz DHNCHIXUYRZNBF-KRWDZBQOSA-N 0 0 313.422 3.342 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2CCc3cc(F)ccc32)c1 ZINC001329730334 1104371386 /nfs/dbraw/zinc/37/13/86/1104371386.db2.gz DWGHVNDJWBMHIA-INIZCTEOSA-N 0 0 314.360 3.326 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CSCc2cccs2)c1 ZINC001330124673 1104485599 /nfs/dbraw/zinc/48/55/99/1104485599.db2.gz LVJWBRFYLVKPHO-UHFFFAOYSA-N 0 0 307.440 3.312 20 10 DGCDRN CC[C@@H](C)N1CCC2(CCN(c3ccc(OC)cc3)CC2)C1=O ZINC001274790464 1104489989 /nfs/dbraw/zinc/48/99/89/1104489989.db2.gz IFTOUDGCSGBBCM-OAHLLOKOSA-N 0 0 316.445 3.313 20 10 DGCDRN CC[C@H](C)N1CCC2(CCN(c3ccc(OC)cc3)CC2)C1=O ZINC001274790463 1104490527 /nfs/dbraw/zinc/49/05/27/1104490527.db2.gz IFTOUDGCSGBBCM-HNNXBMFYSA-N 0 0 316.445 3.313 20 10 DGCDRN CC[C@H](C)N1CC[C@@]2(CCCN2c2ccc(OC)c(F)c2)C1=O ZINC001274862037 1104524067 /nfs/dbraw/zinc/52/40/67/1104524067.db2.gz PNSQKGRRIAXJGU-UGSOOPFHSA-N 0 0 320.408 3.204 20 10 DGCDRN COc1ccc(N2CCC[C@]23CCN(CC(C)C)C3=O)c(C)c1 ZINC001274874656 1104526507 /nfs/dbraw/zinc/52/65/07/1104526507.db2.gz ZHMWBVJKFOKLGO-LJQANCHMSA-N 0 0 316.445 3.231 20 10 DGCDRN C[C@H](CC(=O)Nc1c2nonc2ccc1Cl)C(F)(F)F ZINC001330468645 1104556318 /nfs/dbraw/zinc/55/63/18/1104556318.db2.gz CKNNJKHZNAGXBT-RXMQYKEDSA-N 0 0 307.659 3.403 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2noc(CNC3CC3)n2)cc1 ZINC001247464380 1104909117 /nfs/dbraw/zinc/90/91/17/1104909117.db2.gz PPOHARZAZHZYBV-UHFFFAOYSA-N 0 0 308.385 3.396 20 10 DGCDRN Oc1ccc(Cc2nc(-c3cccc4occc43)no2)cc1O ZINC001247959808 1105021716 /nfs/dbraw/zinc/02/17/16/1105021716.db2.gz YSJCZSJBBGQEFU-UHFFFAOYSA-N 0 0 308.293 3.485 20 10 DGCDRN Nc1ccc(Cc2nc(-c3ccccc3-n3ccnc3)no2)cc1 ZINC001248183558 1105063008 /nfs/dbraw/zinc/06/30/08/1105063008.db2.gz JZENJRHOHRRQOM-UHFFFAOYSA-N 0 0 317.352 3.095 20 10 DGCDRN Cc1cccc2c1N[C@H](c1ccc(N3CCCC3)cc1)NC2=O ZINC001248746035 1105154532 /nfs/dbraw/zinc/15/45/32/1105154532.db2.gz DZLXWWLOPIUZOA-SFHVURJKSA-N 0 0 307.397 3.449 20 10 DGCDRN Cc1cccc(-c2noc(CCc3ccc(O)c(O)c3)n2)c1F ZINC001248984753 1105209746 /nfs/dbraw/zinc/20/97/46/1105209746.db2.gz ZTRZHAFAPKCJCA-UHFFFAOYSA-N 0 0 314.316 3.381 20 10 DGCDRN Cc1cc(CN2CCOC(C)(C)C2)c(O)cc1Br ZINC001250120973 1105446521 /nfs/dbraw/zinc/44/65/21/1105446521.db2.gz WYDUDZDUGOGPOR-UHFFFAOYSA-N 0 0 314.223 3.074 20 10 DGCDRN CC[C@@H]1COCCN1Cc1cc(C)c(Br)cc1O ZINC001250134203 1105450947 /nfs/dbraw/zinc/45/09/47/1105450947.db2.gz XKPFIXZOUFOJRS-GFCCVEGCSA-N 0 0 314.223 3.074 20 10 DGCDRN CCOc1cc(CN(C)Cc2ccccc2O)c(Cl)cn1 ZINC001250319704 1105497398 /nfs/dbraw/zinc/49/73/98/1105497398.db2.gz TUBLBNHVTTVDRI-UHFFFAOYSA-N 0 0 306.793 3.471 20 10 DGCDRN Cc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c(C)c1O ZINC001137397503 1105514644 /nfs/dbraw/zinc/51/46/44/1105514644.db2.gz CCHNJPFYPJXJJX-UHFFFAOYSA-N 0 0 312.329 3.424 20 10 DGCDRN Cn1c(-c2ccc(N3CCOCC3)cc2)nc2cccc(F)c21 ZINC001250704659 1105563547 /nfs/dbraw/zinc/56/35/47/1105563547.db2.gz XWRYEPJGACFWGS-UHFFFAOYSA-N 0 0 311.360 3.216 20 10 DGCDRN C[C@@H](NC(=O)NCc1c(O)cccc1F)c1c(F)cccc1F ZINC001251171303 1105634808 /nfs/dbraw/zinc/63/48/08/1105634808.db2.gz PJULVPIIERJKJG-SECBINFHSA-N 0 0 324.302 3.370 20 10 DGCDRN O=S(=O)(NCc1cc2ccccc2cc1O)c1ccccc1 ZINC001251170157 1105635132 /nfs/dbraw/zinc/63/51/32/1105635132.db2.gz LUCLDLXDENFVBK-UHFFFAOYSA-N 0 0 313.378 3.024 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)NC[C@@H]1C[C@H]1C1CCC1 ZINC001252136743 1105748937 /nfs/dbraw/zinc/74/89/37/1105748937.db2.gz RJNUKFOSJZFZQF-STQMWFEESA-N 0 0 308.809 3.281 20 10 DGCDRN COc1cc(-c2nnc(-c3ccc(Cl)cc3)o2)cc(O)c1O ZINC001252787922 1105830778 /nfs/dbraw/zinc/83/07/78/1105830778.db2.gz QLLMPRBKJYEABS-UHFFFAOYSA-N 0 0 318.716 3.477 20 10 DGCDRN CCC[C@H](O)CNc1ccccc1C(=O)c1ccc(OC)cc1 ZINC001252797885 1105833853 /nfs/dbraw/zinc/83/38/53/1105833853.db2.gz WGEYIVFYFSDRNY-HNNXBMFYSA-N 0 0 313.397 3.499 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)NOCC2CCC2)cc1 ZINC001253324429 1105922315 /nfs/dbraw/zinc/92/23/15/1105922315.db2.gz BYNDCOMBTCKUGR-UHFFFAOYSA-N 0 0 319.449 3.406 20 10 DGCDRN CC(C)(C)[C@@H](O)C[NH2+]Cc1cc(Cl)c2cccnc2c1[O-] ZINC001253743240 1105978277 /nfs/dbraw/zinc/97/82/77/1105978277.db2.gz PRCZOBLRCCSRAD-ZDUSSCGKSA-N 0 0 308.809 3.090 20 10 DGCDRN O=C1c2ccccc2C(=O)c2cc(-c3nnc(C4CC4)o3)ccc21 ZINC001254054290 1106013444 /nfs/dbraw/zinc/01/34/44/1106013444.db2.gz LKDGDXHRHABGHN-UHFFFAOYSA-N 0 0 316.316 3.389 20 10 DGCDRN Nc1ccc(-n2cc(-c3cccc(OC(F)(F)F)c3)nn2)cc1 ZINC001254080766 1106015657 /nfs/dbraw/zinc/01/56/57/1106015657.db2.gz SSCQJVVFQJLZIP-UHFFFAOYSA-N 0 0 320.274 3.415 20 10 DGCDRN CCN(CC)c1ccc(-c2cn(-c3ccc(N)cc3)nn2)cc1 ZINC001254080713 1106015796 /nfs/dbraw/zinc/01/57/96/1106015796.db2.gz PRAWOXGGQHZWFW-UHFFFAOYSA-N 0 0 307.401 3.363 20 10 DGCDRN Nc1ccc(CCn2cc(-c3c[nH]c4ccccc34)nn2)cc1 ZINC001254081364 1106015970 /nfs/dbraw/zinc/01/59/70/1106015970.db2.gz SXTRENMYGXDOAB-UHFFFAOYSA-N 0 0 303.369 3.251 20 10 DGCDRN Oc1cc(-c2nnc([C@H]3C[C@@H]3c3ccccc3)o2)cc(O)c1O ZINC001254512024 1106087347 /nfs/dbraw/zinc/08/73/47/1106087347.db2.gz FHOUBSCHXSXEDJ-NEPJUHHUSA-N 0 0 310.309 3.125 20 10 DGCDRN CCOC(=O)/C=C/c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256935243 1106513818 /nfs/dbraw/zinc/51/38/18/1106513818.db2.gz ICXDOWKTRLLQBL-MDZDMXLPSA-N 0 0 309.325 3.104 20 10 DGCDRN c1ccn(-c2ccc(-c3nnc(CCc4cn[nH]c4)o3)cc2)c1 ZINC001256951828 1106515367 /nfs/dbraw/zinc/51/53/67/1106515367.db2.gz UBZSRKLMYNMVLN-UHFFFAOYSA-N 0 0 305.341 3.036 20 10 DGCDRN O[C@H](c1nnc(-c2ccc(-n3cccc3)cc2)o1)C(F)(F)F ZINC001256961120 1106515882 /nfs/dbraw/zinc/51/58/82/1106515882.db2.gz LAHSJLBSNPAYMA-LLVKDONJSA-N 0 0 309.247 3.123 20 10 DGCDRN c1ccn(-c2ccc(-c3nnc(C4CC5(C4)OCCO5)o3)cc2)c1 ZINC001256965954 1106517845 /nfs/dbraw/zinc/51/78/45/1106517845.db2.gz OLJMDOQVIJVFAY-UHFFFAOYSA-N 0 0 323.352 3.148 20 10 DGCDRN C[C@@H](c1nnc(-c2ccc(-n3cccc3)cc2)o1)N1CCCC1=O ZINC001256970585 1106518530 /nfs/dbraw/zinc/51/85/30/1106518530.db2.gz XCRZVHYEOAGSEZ-ZDUSSCGKSA-N 0 0 322.368 3.211 20 10 DGCDRN CCc1nc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)c[nH]1 ZINC001256988342 1106521958 /nfs/dbraw/zinc/52/19/58/1106521958.db2.gz UGJYPYMJUNIJKD-UHFFFAOYSA-N 0 0 305.341 3.480 20 10 DGCDRN C[C@H]([NH2+]Cc1cnn2ccccc12)c1cc(F)cc(F)c1[O-] ZINC001257442854 1106589933 /nfs/dbraw/zinc/58/99/33/1106589933.db2.gz BKORBMIMISBTTQ-JTQLQIEISA-N 0 0 303.312 3.169 20 10 DGCDRN CC(C)CCc1nnc(-c2ccc(S(=O)(=O)[N-][N+]#N)cc2)o1 ZINC001258363087 1106723299 /nfs/dbraw/zinc/72/32/99/1106723299.db2.gz RKUOFSNHUCETKN-UHFFFAOYSA-N 0 0 321.362 3.324 20 10 DGCDRN CC[C@@H]([NH2+]CCOCCCO)c1cc(Cl)cc(Cl)c1[O-] ZINC001258392051 1106727957 /nfs/dbraw/zinc/72/79/57/1106727957.db2.gz RCBCMAHZTZYEMV-CYBMUJFWSA-N 0 0 322.232 3.139 20 10 DGCDRN CC[C@@H]([NH2+]Cc1c(C)c(C)n[nH]c1=O)c1cccc(Cl)c1[O-] ZINC001258391612 1106728018 /nfs/dbraw/zinc/72/80/18/1106728018.db2.gz LQVZPLATFKNZSM-CQSZACIVSA-N 0 0 321.808 3.399 20 10 DGCDRN Cc1ccc(CS(=O)(=O)Nc2cc(C)c(O)cc2C)cc1 ZINC001259264813 1107110849 /nfs/dbraw/zinc/11/08/49/1107110849.db2.gz VRQDBOJUTWYCLN-UHFFFAOYSA-N 0 0 305.399 3.259 20 10 DGCDRN Cc1cc(NS(=O)(=O)CCc2ccc(F)cc2)c(C)cc1O ZINC001259760256 1107192821 /nfs/dbraw/zinc/19/28/21/1107192821.db2.gz RBAMSPASOGPDEH-UHFFFAOYSA-N 0 0 323.389 3.133 20 10 DGCDRN CN(Cc1ccc(-c2cnn(C)c2)cc1)c1ccc2c(c1)OCO2 ZINC001321032313 1107229229 /nfs/dbraw/zinc/22/92/29/1107229229.db2.gz FCHXGFPNPGZUCJ-UHFFFAOYSA-N 0 0 321.380 3.452 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)c1cccc2c1CCC2 ZINC001299721332 1107329749 /nfs/dbraw/zinc/32/97/49/1107329749.db2.gz HEFKHIUMZJHPEL-UHFFFAOYSA-N 0 0 318.376 3.359 20 10 DGCDRN COc1cccc(C(=O)Nc2c3nonc3ccc2Cl)c1F ZINC001321388617 1107339140 /nfs/dbraw/zinc/33/91/40/1107339140.db2.gz NSCPVNWTDWZTMP-UHFFFAOYSA-N 0 0 321.695 3.276 20 10 DGCDRN Cc1cccc(S(=O)(=O)Nc2cccc(N(C)C)c2)c1C ZINC001260999139 1107340515 /nfs/dbraw/zinc/34/05/15/1107340515.db2.gz ODCUJMDYDLRCEM-UHFFFAOYSA-N 0 0 304.415 3.170 20 10 DGCDRN CNC(=O)c1cnc(/C=C\c2ccc(N3CCCC3)cc2)s1 ZINC001321436202 1107347650 /nfs/dbraw/zinc/34/76/50/1107347650.db2.gz UTHKSASKRXEPMJ-TWGQIWQCSA-N 0 0 313.426 3.273 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1(CF)CCC1 ZINC001261496698 1107448161 /nfs/dbraw/zinc/44/81/61/1107448161.db2.gz ZSNPBJFCHJIEOO-AWEZNQCLSA-N 0 0 306.425 3.248 20 10 DGCDRN Cc1cc(O)c(CNc2ccc(COCCO)cc2)cc1Cl ZINC001261677639 1107504835 /nfs/dbraw/zinc/50/48/35/1107504835.db2.gz XQRSXZZILFOBSG-UHFFFAOYSA-N 0 0 321.804 3.475 20 10 DGCDRN CS[C@@H]1CCC[C@H](NC(=O)N[C@H](C)c2ccccc2O)C1 ZINC001261962510 1107564901 /nfs/dbraw/zinc/56/49/01/1107564901.db2.gz XCWBKRXPHIUHJO-FRRDWIJNSA-N 0 0 308.447 3.427 20 10 DGCDRN CCN(CCO)C(=O)c1cc(-n2c(C)ccc2C)ccc1Cl ZINC001317789261 1107668752 /nfs/dbraw/zinc/66/87/52/1107668752.db2.gz QNNCFNGKRRJFIP-UHFFFAOYSA-N 0 0 320.820 3.202 20 10 DGCDRN Oc1ccc2c(c1CNC(=S)NCC1CCC1)CCCC2 ZINC001323152138 1107852307 /nfs/dbraw/zinc/85/23/07/1107852307.db2.gz MOEZEGPFRURSEH-UHFFFAOYSA-N 0 0 304.459 3.035 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)c1coc(C2CCC2)n1 ZINC001323481871 1107987872 /nfs/dbraw/zinc/98/78/72/1107987872.db2.gz DDRIIDQJLPEWAV-UHFFFAOYSA-N 0 0 318.720 3.384 20 10 DGCDRN Cc1coc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1C ZINC001323561699 1108013261 /nfs/dbraw/zinc/01/32/61/1108013261.db2.gz YHGYEZPLSOOFDF-UHFFFAOYSA-N 0 0 300.358 3.002 20 10 DGCDRN CC(C)OC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000586478840 1108092852 /nfs/dbraw/zinc/09/28/52/1108092852.db2.gz BEMVZXDKVHHTPM-UHFFFAOYSA-N 0 0 309.321 3.419 20 10 DGCDRN O=C1NCCN(Cc2ccc(N3CCCC3)cc2)c2ccccc21 ZINC001323967369 1108132804 /nfs/dbraw/zinc/13/28/04/1108132804.db2.gz LUCQBYYCVZUINI-UHFFFAOYSA-N 0 0 321.424 3.037 20 10 DGCDRN CC[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)C[C@H](C)[S@@]1=O ZINC001323981255 1108136261 /nfs/dbraw/zinc/13/62/61/1108136261.db2.gz LDIYOIIELUWXLT-REDKUUPNSA-N 0 0 320.502 3.018 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cnc2n[nH]cc2c1 ZINC001263819946 1108233743 /nfs/dbraw/zinc/23/37/43/1108233743.db2.gz HQWIPVOPBYFTSI-UHFFFAOYSA-N 0 0 324.384 3.106 20 10 DGCDRN COC(=O)c1cnc(SCc2nc(C)sc2C)s1 ZINC001324428138 1108285048 /nfs/dbraw/zinc/28/50/48/1108285048.db2.gz HFSCNSYJLOGREJ-UHFFFAOYSA-N 0 0 300.430 3.295 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H](C)CCCO ZINC001324464828 1108301618 /nfs/dbraw/zinc/30/16/18/1108301618.db2.gz DCBZQUIGQCGYPP-LBPRGKRZSA-N 0 0 320.458 3.294 20 10 DGCDRN CCCC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC001324758836 1108454794 /nfs/dbraw/zinc/45/47/94/1108454794.db2.gz BTMRTHATWGRVRU-UHFFFAOYSA-N 0 0 308.378 3.321 20 10 DGCDRN CC/C=C(/C)C(=O)N1CCN(c2ccc(OCC)cc2)CC1 ZINC001319603546 1108550034 /nfs/dbraw/zinc/55/00/34/1108550034.db2.gz JYMLBIGDTHUXLZ-UUASQNMZSA-N 0 0 302.418 3.090 20 10 DGCDRN COc1cc(Cl)ccc1-c1noc(-c2ccc(O)c(O)c2)n1 ZINC000389542483 1108656450 /nfs/dbraw/zinc/65/64/50/1108656450.db2.gz KVCOMJOJTOIJMC-UHFFFAOYSA-N 0 0 318.716 3.477 20 10 DGCDRN CC(C)Cc1nnc(NCc2ccc(N3CCCC3)cc2)o1 ZINC001319870477 1108671005 /nfs/dbraw/zinc/67/10/05/1108671005.db2.gz KDSSYJPIJMOEEY-UHFFFAOYSA-N 0 0 300.406 3.480 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C[C@H]2CCCC[C@@H]2O)cc1 ZINC001291711868 1110274463 /nfs/dbraw/zinc/27/44/63/1110274463.db2.gz WFMOWADQILTEPI-AEFFLSMTSA-N 0 0 318.461 3.090 20 10 DGCDRN C[C@H](NC(=O)COCc1cccc(Cl)c1)c1ccccc1O ZINC001302538247 1111117260 /nfs/dbraw/zinc/11/72/60/1111117260.db2.gz KWEHHIXYKXTXGL-LBPRGKRZSA-N 0 0 319.788 3.440 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1ccc(Cl)c2occc21 ZINC001303227701 1111137563 /nfs/dbraw/zinc/13/75/63/1111137563.db2.gz OXGBROKKAALOJA-UHFFFAOYSA-N 0 0 317.728 3.427 20 10 DGCDRN C[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@@H]1c1ccccc1 ZINC001303504821 1111145290 /nfs/dbraw/zinc/14/52/90/1111145290.db2.gz HRVNDVHHHBNPDW-YJYMSZOUSA-N 0 0 311.381 3.250 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1ccccc1C(F)(F)F ZINC001303877918 1111156564 /nfs/dbraw/zinc/15/65/64/1111156564.db2.gz JUPPTIUZRBVMED-UHFFFAOYSA-N 0 0 313.250 3.480 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CC2(CC2)Oc2ccccc21 ZINC001304758745 1111181245 /nfs/dbraw/zinc/18/12/45/1111181245.db2.gz ZRWWZZWXHXTFLP-VURMDHGXSA-N 0 0 323.348 3.069 20 10 DGCDRN C[C@H]1C[C@H]1n1c(C2CCC2)nnc1N(C)Cc1ccccc1O ZINC001304960757 1111190097 /nfs/dbraw/zinc/19/00/97/1111190097.db2.gz LTQPCQGZACHDLD-SWLSCSKDSA-N 0 0 312.417 3.469 20 10 DGCDRN CC(=O)c1ccc(C(=O)NCc2cccc(Cl)c2O)c(F)c1 ZINC001305084021 1111193062 /nfs/dbraw/zinc/19/30/62/1111193062.db2.gz FBRPSXSHBAGKSR-UHFFFAOYSA-N 0 0 321.735 3.317 20 10 DGCDRN CC(C)c1ccc(CCNC(=O)c2c(F)ccc(O)c2O)cc1 ZINC001306168315 1111222629 /nfs/dbraw/zinc/22/26/29/1111222629.db2.gz KBIVZAZUUGKJRU-UHFFFAOYSA-N 0 0 317.360 3.333 20 10 DGCDRN COC(=O)c1csc(CSc2ncc(Cl)s2)n1 ZINC001307376994 1111293592 /nfs/dbraw/zinc/29/35/92/1111293592.db2.gz LZNGZWPCFVHXMX-UHFFFAOYSA-N 0 0 306.821 3.332 20 10 DGCDRN COC(=O)C1(NCc2ccc(OC)c(C)c2)CCCCCC1 ZINC001307655437 1111324300 /nfs/dbraw/zinc/32/43/00/1111324300.db2.gz YZERTQFMUIVQGE-UHFFFAOYSA-N 0 0 305.418 3.359 20 10 DGCDRN COc1ccc(N(C)CC(=O)NCCC2CCCCC2)cc1 ZINC001307906260 1111353878 /nfs/dbraw/zinc/35/38/78/1111353878.db2.gz VLCWGEYGVBJLLI-UHFFFAOYSA-N 0 0 304.434 3.218 20 10 DGCDRN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)c1[O-] ZINC001308118726 1111380586 /nfs/dbraw/zinc/38/05/86/1111380586.db2.gz KBACXOOZJWGDHH-XBLMQXIHSA-N 0 0 315.388 3.378 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H](CCO)c1cccs1 ZINC001308277728 1111409095 /nfs/dbraw/zinc/40/90/95/1111409095.db2.gz NHIXYLLGLSDPIX-GFCCVEGCSA-N 0 0 315.797 3.460 20 10 DGCDRN CC[C@@H]1C[N@H+](Cc2ccc(Br)cc2O)CCS1 ZINC001308617602 1111450762 /nfs/dbraw/zinc/45/07/62/1111450762.db2.gz CGXDBWYZORQKDP-GFCCVEGCSA-N 0 0 316.264 3.482 20 10 DGCDRN CC(C)n1cc2c(n1)[C@@H]([NH2+]Cc1cccc(F)c1[O-])CCC2 ZINC001308665617 1111457695 /nfs/dbraw/zinc/45/76/95/1111457695.db2.gz BXRRHAZDBOGNCX-HNNXBMFYSA-N 0 0 303.381 3.476 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2CCc1ccc(F)cc1F ZINC001308669782 1111458247 /nfs/dbraw/zinc/45/82/47/1111458247.db2.gz WFLXCQSSGWRJQT-UHFFFAOYSA-N 0 0 318.367 3.472 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1cccc2[nH]c(=O)oc21 ZINC001308675056 1111458808 /nfs/dbraw/zinc/45/88/08/1111458808.db2.gz RZZCVJNXJACNML-UHFFFAOYSA-N 0 0 310.353 3.495 20 10 DGCDRN COc1ccc(CN(C)c2ccc3c(c2)OCO3)c(F)c1OC ZINC001308675861 1111459693 /nfs/dbraw/zinc/45/96/93/1111459693.db2.gz COJZUTDUVMGUGR-UHFFFAOYSA-N 0 0 319.332 3.208 20 10 DGCDRN COC[C@H](Cc1ccccc1)[N@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001308741708 1111468613 /nfs/dbraw/zinc/46/86/13/1111468613.db2.gz XYACAAOCMBEMHI-HNNXBMFYSA-N 0 0 321.367 3.360 20 10 DGCDRN CC[C@H]1C[N@H+](CC)CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC001308766615 1111472679 /nfs/dbraw/zinc/47/26/79/1111472679.db2.gz NCRQULDYDCGPTG-LBPRGKRZSA-N 0 0 300.805 3.101 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]C[C@]1(c2ccccc2)CCCO1 ZINC001308951988 1111498664 /nfs/dbraw/zinc/49/86/64/1111498664.db2.gz XTMZWPBENIDISE-SFHVURJKSA-N 0 0 319.351 3.466 20 10 DGCDRN COC[C@H](C)OC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC001309080443 1111511000 /nfs/dbraw/zinc/51/10/00/1111511000.db2.gz QVAGUOZBWYZPPF-AWEZNQCLSA-N 0 0 308.422 3.135 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N[C@H]3CCCC34CC4)ccc21 ZINC001311728602 1111615938 /nfs/dbraw/zinc/61/59/38/1111615938.db2.gz SCLBNUNKDJJUAP-KRWDZBQOSA-N 0 0 313.445 3.201 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)c1 ZINC001312332456 1111647391 /nfs/dbraw/zinc/64/73/91/1111647391.db2.gz NHVYCTNUJRZSJU-NZSAHSFTSA-N 0 0 322.408 3.228 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCc1cc(O)ccc1Cl ZINC001313215603 1111701627 /nfs/dbraw/zinc/70/16/27/1111701627.db2.gz ZBHDFWHRYZJJCV-UHFFFAOYSA-N 0 0 320.776 3.093 20 10 DGCDRN CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185512069 295665370 /nfs/dbraw/zinc/66/53/70/295665370.db2.gz JVHXTRLAOKJKGO-DKCNOQQISA-N 0 0 324.273 3.462 20 10 DGCDRN CC[C@H](CSC)NC(=O)NCc1c(C)c2ccccc2n1C ZINC000349802294 529413130 /nfs/dbraw/zinc/41/31/30/529413130.db2.gz NJLNSZSQZSKLAO-CYBMUJFWSA-N 0 0 319.474 3.428 20 10 DGCDRN CS[C@H](C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108295535 185506286 /nfs/dbraw/zinc/50/62/86/185506286.db2.gz KKLXVCCJNMQUQK-CQSZACIVSA-N 0 0 306.475 3.291 20 10 DGCDRN CCN(CC(C)C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000108689947 185526701 /nfs/dbraw/zinc/52/67/01/185526701.db2.gz MZMVRAZSQDJQRL-JXMROGBWSA-N 0 0 316.445 3.041 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NOCc1ccccc1 ZINC000066703679 432020069 /nfs/dbraw/zinc/02/00/69/432020069.db2.gz BRFKUZMQFVBGDD-UHFFFAOYSA-N 0 0 314.385 3.446 20 10 DGCDRN Cc1cc(C(=O)N(CC(F)F)C2CC2)c(C)n1-c1ccccn1 ZINC000106833741 432021781 /nfs/dbraw/zinc/02/17/81/432021781.db2.gz ONPYTAIVGUJBNJ-UHFFFAOYSA-N 0 0 319.355 3.359 20 10 DGCDRN CCCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cccc(O)c1O ZINC000266214908 282793895 /nfs/dbraw/zinc/79/38/95/282793895.db2.gz OHLGMMZJYMQGTG-INIZCTEOSA-N 0 0 318.417 3.031 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cccc(F)n1 ZINC000134288910 432075950 /nfs/dbraw/zinc/07/59/50/432075950.db2.gz MRVPJVXSVLVCAU-UHFFFAOYSA-N 0 0 303.337 3.370 20 10 DGCDRN CCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2C)c(O)c1 ZINC000170699459 432078010 /nfs/dbraw/zinc/07/80/10/432078010.db2.gz RRQSUHBJLMCZSN-KRWDZBQOSA-N 0 0 312.369 3.377 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cccc(Cl)n1 ZINC000170732376 432078987 /nfs/dbraw/zinc/07/89/87/432078987.db2.gz BZPZDQFKYAJOAD-UHFFFAOYSA-N 0 0 304.777 3.493 20 10 DGCDRN C[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1ccc(F)c(F)c1[O-] ZINC000191183591 299317208 /nfs/dbraw/zinc/31/72/08/299317208.db2.gz ACXLZIHDMWEBJO-GXFFZTMASA-N 0 0 310.344 3.217 20 10 DGCDRN C[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000187720070 299321384 /nfs/dbraw/zinc/32/13/84/299321384.db2.gz YMWMBMGAXJWPAZ-GTNSWQLSSA-N 0 0 307.340 3.229 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCC[C@@H]1F ZINC000454873284 242052940 /nfs/dbraw/zinc/05/29/40/242052940.db2.gz KLKPRWATWQLQRU-UONOGXRCSA-N 0 0 303.381 3.177 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@H]1CF ZINC000454875445 242053428 /nfs/dbraw/zinc/05/34/28/242053428.db2.gz NUMALLVKDBWZAF-ZDUSSCGKSA-N 0 0 303.381 3.130 20 10 DGCDRN C[C@@H]([NH2+]CCSC(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273432174 296126412 /nfs/dbraw/zinc/12/64/12/296126412.db2.gz VWVQMIRKWNVCKA-SSDOTTSWSA-N 0 0 310.297 3.204 20 10 DGCDRN COc1cccc(CN2CCO[C@@H](c3cccc(F)c3)C2)c1O ZINC000092975757 193191812 /nfs/dbraw/zinc/19/18/12/193191812.db2.gz NDTCHHOMFKRJTQ-QGZVFWFLSA-N 0 0 317.360 3.113 20 10 DGCDRN COc1cccc(CN2CCO[C@@H](c3ccccc3F)C2)c1O ZINC000092975298 193191904 /nfs/dbraw/zinc/19/19/04/193191904.db2.gz BQJAJUDHADREQS-QGZVFWFLSA-N 0 0 317.360 3.113 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273479107 296164686 /nfs/dbraw/zinc/16/46/86/296164686.db2.gz LQAUNUZFIYJHFY-NEPJUHHUSA-N 0 0 306.362 3.053 20 10 DGCDRN CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000268716625 432125461 /nfs/dbraw/zinc/12/54/61/432125461.db2.gz IUYOVVOHGCPEIQ-HOTGVXAUSA-N 0 0 317.477 3.242 20 10 DGCDRN Oc1ccc(F)cc1CN1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000190138288 432126108 /nfs/dbraw/zinc/12/61/08/432126108.db2.gz JJSQGHNVNFJRPL-KRWDZBQOSA-N 0 0 323.314 3.383 20 10 DGCDRN CC(=O)c1cccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000268752933 432129209 /nfs/dbraw/zinc/12/92/09/432129209.db2.gz YLBRTDCMWLXDMA-UHFFFAOYSA-N 0 0 310.397 3.227 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000171385975 432129395 /nfs/dbraw/zinc/12/93/95/432129395.db2.gz GDRYRTATAZJCHG-UHFFFAOYSA-N 0 0 312.369 3.381 20 10 DGCDRN O=C(/C=C\c1ccc(Cl)nc1)N1CCOCc2ccccc21 ZINC000492703467 245777748 /nfs/dbraw/zinc/77/77/48/245777748.db2.gz IJDWPEIDGFDTDB-VURMDHGXSA-N 0 0 314.772 3.312 20 10 DGCDRN Cn1ccc(C=CC(=O)N2C[C@H]3CCC(=O)c4cccc2c43)c1 ZINC000493780564 246065504 /nfs/dbraw/zinc/06/55/04/246065504.db2.gz CIXAXHLFCPKSFI-BMWLXYDHSA-N 0 0 306.365 3.145 20 10 DGCDRN CC(C)CN1C(=O)c2ccccc2N[C@H]1c1ccc(O)c(O)c1 ZINC000024098817 182374856 /nfs/dbraw/zinc/37/48/56/182374856.db2.gz HDZOCQOYFJAJFD-QGZVFWFLSA-N 0 0 312.369 3.320 20 10 DGCDRN C[C@H](Cn1ccnc1)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000037158029 182869866 /nfs/dbraw/zinc/86/98/66/182869866.db2.gz OBPSPBCBRBUUEO-SECBINFHSA-N 0 0 300.189 3.074 20 10 DGCDRN Cc1cc(C(=O)N2CCS[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000171571949 432146114 /nfs/dbraw/zinc/14/61/14/432146114.db2.gz TZXVCAODXGKPRV-CYBMUJFWSA-N 0 0 315.442 3.067 20 10 DGCDRN COc1cccc(CNC(=O)c2cc3c(s2)CCCC3)c1O ZINC000105652693 194117826 /nfs/dbraw/zinc/11/78/26/194117826.db2.gz SQRLAGNWGPUSPR-UHFFFAOYSA-N 0 0 317.410 3.271 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000065508308 184356504 /nfs/dbraw/zinc/35/65/04/184356504.db2.gz YSWCZSZHTJYSDG-JKSUJKDBSA-N 0 0 314.360 3.229 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCc1ccon1 ZINC000271412741 129909418 /nfs/dbraw/zinc/90/94/18/129909418.db2.gz MAAQKDUHYYVFIX-UHFFFAOYSA-N 0 0 315.398 3.116 20 10 DGCDRN CC(C)C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2O)CCO1 ZINC000272049056 129994447 /nfs/dbraw/zinc/99/44/47/129994447.db2.gz DQCJPIZISVRQQE-HOTGVXAUSA-N 0 0 320.433 3.127 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)c2cccc(O)c2)C2CC2)cc1 ZINC000272572383 130042566 /nfs/dbraw/zinc/04/25/66/130042566.db2.gz IJABYFADODDMHT-UHFFFAOYSA-N 0 0 310.397 3.263 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000273114978 130090499 /nfs/dbraw/zinc/09/04/99/130090499.db2.gz LVWQUGRTNQNBIY-RMKNXTFCSA-N 0 0 321.424 3.320 20 10 DGCDRN C[C@@H]([NH2+]CC1(O)CCCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273565987 130138293 /nfs/dbraw/zinc/13/82/93/130138293.db2.gz JMMFRHAZKYQDHF-GFCCVEGCSA-N 0 0 308.378 3.036 20 10 DGCDRN O=C(C1CCN(Cc2c(O)cccc2Cl)CC1)C(F)(F)F ZINC000274919217 130273936 /nfs/dbraw/zinc/27/39/36/130273936.db2.gz LRUUOVBHTYNAMB-UHFFFAOYSA-N 0 0 321.726 3.389 20 10 DGCDRN CC(C)C(C)(C)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000275761225 130382161 /nfs/dbraw/zinc/38/21/61/130382161.db2.gz GGISLFOVURKJPE-UHFFFAOYSA-N 0 0 318.461 3.164 20 10 DGCDRN CCN(C(=O)/C=C/c1ccn(C)c1)c1ccc(OC)c(OC)c1 ZINC000277137315 130583912 /nfs/dbraw/zinc/58/39/12/130583912.db2.gz UWUYIISHHAIZJD-RMKNXTFCSA-N 0 0 314.385 3.109 20 10 DGCDRN CC(C)(C)[C@@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000279951293 130772322 /nfs/dbraw/zinc/77/23/22/130772322.db2.gz CYGPGAASKVIZPV-RCQQVGEISA-N 0 0 303.402 3.396 20 10 DGCDRN Cn1c(-c2ccccc2)cnc1SC[C@](C)(O)C(F)(F)F ZINC000281067101 130835016 /nfs/dbraw/zinc/83/50/16/130835016.db2.gz SKGPJTMVSBVCRX-ZDUSSCGKSA-N 0 0 316.348 3.493 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCO[C@H](C)C1 ZINC000283536162 131001063 /nfs/dbraw/zinc/00/10/63/131001063.db2.gz GTGDNVUEUVRHAA-ZBFHGGJFSA-N 0 0 320.433 3.271 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCSC1 ZINC000283561604 131003443 /nfs/dbraw/zinc/00/34/43/131003443.db2.gz GFBZNDFNVBYQKA-AWEZNQCLSA-N 0 0 308.447 3.209 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1ccoc1 ZINC000283788542 131023530 /nfs/dbraw/zinc/02/35/30/131023530.db2.gz SSRKBJMFBFZCSL-UHFFFAOYSA-N 0 0 302.374 3.497 20 10 DGCDRN CC[C@@H]([NH2+]CCCOC[C@@H]1CCCO1)c1ccc(F)cc1[O-] ZINC000285771054 131201020 /nfs/dbraw/zinc/20/10/20/131201020.db2.gz SUVXNPRPWZUFAM-GOEBONIOSA-N 0 0 311.397 3.158 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1ccc(F)cc1[O-] ZINC000285820575 131204529 /nfs/dbraw/zinc/20/45/29/131204529.db2.gz WKEOGOQYZCQVBN-CABCVRRESA-N 0 0 306.381 3.468 20 10 DGCDRN CC(C)c1ccoc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000285855403 131206500 /nfs/dbraw/zinc/20/65/00/131206500.db2.gz QLNVAMOHNJYDSH-LLVKDONJSA-N 0 0 303.358 3.175 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000286686922 131246169 /nfs/dbraw/zinc/24/61/69/131246169.db2.gz GKMXXWGWTZMWLJ-QLFBSQMISA-N 0 0 303.402 3.321 20 10 DGCDRN COCC(C)(C)CCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000287035097 131260803 /nfs/dbraw/zinc/26/08/03/131260803.db2.gz LZMNJKXRLKHXIR-GFCCVEGCSA-N 0 0 310.394 3.404 20 10 DGCDRN C[C@@H](N[C@@H](C)C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000287360785 131277381 /nfs/dbraw/zinc/27/73/81/131277381.db2.gz OAEGRMVDMICFRB-MNOVXSKESA-N 0 0 320.330 3.264 20 10 DGCDRN CC[C@H]([NH2+][C@H](C)CO[C@@H]1CCOC1)c1cccc(Cl)c1[O-] ZINC000287577870 131287836 /nfs/dbraw/zinc/28/78/36/131287836.db2.gz HDPDGSGDIAVFOY-JMSVASOKSA-N 0 0 313.825 3.280 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C)CO[C@H]1CCOC1)c1cccc(Cl)c1[O-] ZINC000287577865 131288020 /nfs/dbraw/zinc/28/80/20/131288020.db2.gz HDPDGSGDIAVFOY-HUBLWGQQSA-N 0 0 313.825 3.280 20 10 DGCDRN CC[C@H]([NH2+]CCCc1cnn(C)c1)c1cccc(Cl)c1[O-] ZINC000287710357 131296932 /nfs/dbraw/zinc/29/69/32/131296932.db2.gz ODSHBAZOIMMWIS-HNNXBMFYSA-N 0 0 307.825 3.453 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCC1=CCCOC1 ZINC000287972785 131307449 /nfs/dbraw/zinc/30/74/49/131307449.db2.gz NFEQUDVUCOAGDS-UHFFFAOYSA-N 0 0 318.417 3.051 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Cn1cc(Cl)cn1 ZINC000287970755 131307898 /nfs/dbraw/zinc/30/78/98/131307898.db2.gz VRJUQYMTGTVJHV-UHFFFAOYSA-N 0 0 321.808 3.071 20 10 DGCDRN COCC[N@H+](Cc1cccnc1)Cc1cccc(Cl)c1[O-] ZINC000289416011 131384631 /nfs/dbraw/zinc/38/46/31/131384631.db2.gz INARMWFTTVPXEJ-UHFFFAOYSA-N 0 0 306.793 3.089 20 10 DGCDRN COc1ccc(N(Cc2cccs2)Cc2cnnn2C)cc1 ZINC000289447160 131387310 /nfs/dbraw/zinc/38/73/10/131387310.db2.gz ZUEZFRNPBULZFV-UHFFFAOYSA-N 0 0 314.414 3.092 20 10 DGCDRN CCOCc1nc([C@@H](C)N[C@H](C)c2ccc(C)c(C)c2O)no1 ZINC000289589502 131398935 /nfs/dbraw/zinc/39/89/35/131398935.db2.gz AVHMGVBWGAPIRO-CHWSQXEVSA-N 0 0 319.405 3.340 20 10 DGCDRN CCn1ccnc1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000291481995 131574298 /nfs/dbraw/zinc/57/42/98/131574298.db2.gz MXYRQHVQWOAJLI-UHFFFAOYSA-N 0 0 314.433 3.020 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(F)c[nH]1 ZINC000292927589 131690802 /nfs/dbraw/zinc/69/08/02/131690802.db2.gz ZYPWOEIPERRTOP-UHFFFAOYSA-N 0 0 315.392 3.416 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCC1(OC)CCCC1 ZINC000297616710 132025907 /nfs/dbraw/zinc/02/59/07/132025907.db2.gz XELKXMHISSDIBP-UHFFFAOYSA-N 0 0 320.433 3.273 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)c2cncs2)C2CC2)cc1 ZINC000298376017 132059375 /nfs/dbraw/zinc/05/93/75/132059375.db2.gz NTMZPPBHQDQQKE-UHFFFAOYSA-N 0 0 301.415 3.014 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000298377685 132059587 /nfs/dbraw/zinc/05/95/87/132059587.db2.gz BKWBHHVCHWHPEU-UHFFFAOYSA-N 0 0 312.417 3.140 20 10 DGCDRN CO[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000298728401 132075934 /nfs/dbraw/zinc/07/59/34/132075934.db2.gz GEIIFPPOSGRCOX-IBGZPJMESA-N 0 0 324.424 3.291 20 10 DGCDRN CN1CCCc2cc(NC(=O)NCc3ccccc3O)ccc21 ZINC000299536814 132109780 /nfs/dbraw/zinc/10/97/80/132109780.db2.gz UJKHMZBIGIEJSC-UHFFFAOYSA-N 0 0 311.385 3.096 20 10 DGCDRN COc1ccc(CNC2(c3noc(C)n3)CCCC2)cc1C ZINC000299557963 132111373 /nfs/dbraw/zinc/11/13/73/132111373.db2.gz DPRQYLABALZKEO-UHFFFAOYSA-N 0 0 301.390 3.254 20 10 DGCDRN CCCc1c(C(=O)NCc2ccccc2O)[nH]c(C)c1C(C)=O ZINC000299607682 132113578 /nfs/dbraw/zinc/11/35/78/132113578.db2.gz XBDIVEVCTVOFCL-UHFFFAOYSA-N 0 0 314.385 3.114 20 10 DGCDRN CCOc1ccc(NCc2cccc(OC)c2O)cc1OC ZINC000122009932 132161777 /nfs/dbraw/zinc/16/17/77/132161777.db2.gz PDGLCNNLSSBYAN-UHFFFAOYSA-N 0 0 303.358 3.420 20 10 DGCDRN CC[C@@H](C)NC(=O)CSc1ncc(-c2ccccc2)n1C ZINC000005263775 400087617 /nfs/dbraw/zinc/08/76/17/400087617.db2.gz WCPLCKMGPXEQHT-GFCCVEGCSA-N 0 0 303.431 3.094 20 10 DGCDRN CSc1nc2ncnc(N(C)Cc3ccccc3O)c2s1 ZINC000092689336 400197178 /nfs/dbraw/zinc/19/71/78/400197178.db2.gz SHLWTBKAIQBNQC-UHFFFAOYSA-N 0 0 318.427 3.150 20 10 DGCDRN Oc1ccccc1CN(C[C@H]1CCCO1)c1ncc(Cl)cn1 ZINC000092925757 400212927 /nfs/dbraw/zinc/21/29/27/400212927.db2.gz OFYMVYRWUIWEMM-CQSZACIVSA-N 0 0 319.792 3.021 20 10 DGCDRN COc1cccc(CNC(=O)[C@H]2CCCc3ccccc32)c1O ZINC000068489238 400265803 /nfs/dbraw/zinc/26/58/03/400265803.db2.gz OCVXTSAQEYUFIQ-INIZCTEOSA-N 0 0 311.381 3.137 20 10 DGCDRN CCOc1ccc(C(=O)N(C)Cc2ccccc2O)cc1OC ZINC000042117109 400423506 /nfs/dbraw/zinc/42/35/06/400423506.db2.gz UPHIFJDNQOQDSY-UHFFFAOYSA-N 0 0 315.369 3.072 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)Cn2ccnc2)c(C)n1-c1ccccc1 ZINC000042535686 400433326 /nfs/dbraw/zinc/43/33/26/400433326.db2.gz PQHBABZXIWDDPM-AWEZNQCLSA-N 0 0 322.412 3.109 20 10 DGCDRN Cc1cc(NCc2ccc(N(C)C)c(F)c2)ncc1[N+](=O)[O-] ZINC000074744716 400532693 /nfs/dbraw/zinc/53/26/93/400532693.db2.gz FOWMKSRNTBMPLW-UHFFFAOYSA-N 0 0 304.325 3.115 20 10 DGCDRN Clc1ccc(NCc2ccc(N3CCOCC3)cc2)nc1 ZINC000078653827 400816585 /nfs/dbraw/zinc/81/65/85/400816585.db2.gz CKNRVAMEVBMJQG-UHFFFAOYSA-N 0 0 303.793 3.184 20 10 DGCDRN CC(C)=CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000055530414 400875930 /nfs/dbraw/zinc/87/59/30/400875930.db2.gz PWFHZTPOSSSQCJ-ZIAGYGMSSA-N 0 0 320.408 3.022 20 10 DGCDRN COc1cccc(/C=C2\SC(=S)N(C3CC3)C2=O)c1OC ZINC000054499021 400827611 /nfs/dbraw/zinc/82/76/11/400827611.db2.gz IUMPAHDWSXZAOL-WQLSENKSSA-N 0 0 321.423 3.067 20 10 DGCDRN CN1CCCc2cc(CNC(=O)CCC(F)(F)F)ccc21 ZINC000079812298 400897515 /nfs/dbraw/zinc/89/75/15/400897515.db2.gz DUQWDGNGCBMBJB-UHFFFAOYSA-N 0 0 300.324 3.028 20 10 DGCDRN Cc1cn2nc(NCc3ccc4c(c3)CCCN4C)sc2n1 ZINC000058555600 401060196 /nfs/dbraw/zinc/06/01/96/401060196.db2.gz KIVFBQBMQHQXJF-UHFFFAOYSA-N 0 0 313.430 3.094 20 10 DGCDRN CN(Cc1ccccc1O)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000089635613 401233035 /nfs/dbraw/zinc/23/30/35/401233035.db2.gz NYCJCYBRGBVVKT-UHFFFAOYSA-N 0 0 309.325 3.485 20 10 DGCDRN COc1cc(N(C)CC2(O)CCC(C)CC2)cc(OC)c1OC ZINC000156255240 286227545 /nfs/dbraw/zinc/22/75/45/286227545.db2.gz CKSWOGJQBZOWFG-UHFFFAOYSA-N 0 0 323.433 3.090 20 10 DGCDRN C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)C1CCC(F)CC1 ZINC000852633557 620636334 /nfs/dbraw/zinc/63/63/34/620636334.db2.gz SXGNHUZCHLESGW-IUDNXUCKSA-N 0 0 321.440 3.469 20 10 DGCDRN Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1ccc(C)c(O)c1O ZINC000272800023 292343646 /nfs/dbraw/zinc/34/36/46/292343646.db2.gz YLDFDZNGZAUYCM-GFCCVEGCSA-N 0 0 313.353 3.142 20 10 DGCDRN CC[C@@H]([NH2+]CC(C)(C)C(N)=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000287792453 286902797 /nfs/dbraw/zinc/90/27/97/286902797.db2.gz SVPAMVLCXGYHKU-LLVKDONJSA-N 0 0 319.232 3.251 20 10 DGCDRN CC/C=C(\C)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000269849091 432214478 /nfs/dbraw/zinc/21/44/78/432214478.db2.gz TVSHGTMIMHNTCP-KAMPRCONSA-N 0 0 303.402 3.256 20 10 DGCDRN O=C(NCc1ccccc1O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000133939243 227040480 /nfs/dbraw/zinc/04/04/80/227040480.db2.gz FCYPPRPGBPHTRK-VXGBXAGGSA-N 0 0 301.308 3.377 20 10 DGCDRN Cc1ccc(C(=O)N2CCCC[C@@H]2c2cccn2C)c(O)c1O ZINC000179532765 228351716 /nfs/dbraw/zinc/35/17/16/228351716.db2.gz RGLLALWKPKKMIF-OAHLLOKOSA-N 0 0 314.385 3.112 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000182636169 228369421 /nfs/dbraw/zinc/36/94/21/228369421.db2.gz USYZMBOXLJPGEE-DOMZBBRYSA-N 0 0 313.850 3.190 20 10 DGCDRN Cc1cc(C(=O)NC2CCSCC2)c(C)n1-c1ccccn1 ZINC000299646763 228894601 /nfs/dbraw/zinc/89/46/01/228894601.db2.gz VGEVUCGNTFMTOP-UHFFFAOYSA-N 0 0 315.442 3.115 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)CC[C@H]1CC[C@H](C)O1 ZINC000348656991 229205185 /nfs/dbraw/zinc/20/51/85/229205185.db2.gz BGKCSFZFJLYPHV-DZGCQCFKSA-N 0 0 314.429 3.451 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCC1CCOCC1 ZINC000348696149 229206739 /nfs/dbraw/zinc/20/67/39/229206739.db2.gz BZJDRUYHWNZACG-UHFFFAOYSA-N 0 0 314.429 3.310 20 10 DGCDRN CO[C@H]1CCCC[C@@H]1C(=O)NCc1c(C)c2ccccc2n1C ZINC000352080366 229243012 /nfs/dbraw/zinc/24/30/12/229243012.db2.gz XVTBKHTVGDNIDQ-YJBOKZPZSA-N 0 0 314.429 3.308 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)NCC3(C)CC3)ccc21 ZINC000357233739 229347611 /nfs/dbraw/zinc/34/76/11/229347611.db2.gz WENWGFDKVWQHNS-UHFFFAOYSA-N 0 0 314.429 3.434 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNc1cc(=O)n2ccccc2n1 ZINC000359841559 229385482 /nfs/dbraw/zinc/38/54/82/229385482.db2.gz VEZWMVQEGMYVFM-UHFFFAOYSA-N 0 0 318.380 3.107 20 10 DGCDRN COC[C@H](C)[C@H](C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000360458184 229397408 /nfs/dbraw/zinc/39/74/08/229397408.db2.gz YBRSTJZBVMHIBL-STQMWFEESA-N 0 0 302.418 3.022 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC2(C1)CCCC2 ZINC000368751530 229499974 /nfs/dbraw/zinc/49/99/74/229499974.db2.gz SLSOYQCBOADBFK-UHFFFAOYSA-N 0 0 311.429 3.148 20 10 DGCDRN COc1cccc(OC)c1CNCc1ccc(N(C)C)c(F)c1 ZINC000285477108 274148573 /nfs/dbraw/zinc/14/85/73/274148573.db2.gz OHCNDLTVWAKPEC-UHFFFAOYSA-N 0 0 318.392 3.199 20 10 DGCDRN CC[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1cccc(Cl)c1[O-] ZINC000287115042 288038604 /nfs/dbraw/zinc/03/86/04/288038604.db2.gz QSJPOMXCEFOFID-RBZFPXEDSA-N 0 0 315.866 3.388 20 10 DGCDRN CC[C@H]([NH2+][C@H]1COC[C@@H]1OC)c1cc(Cl)cc(Cl)c1[O-] ZINC000290145204 288092080 /nfs/dbraw/zinc/09/20/80/288092080.db2.gz KXYQHRPYXWXZCJ-AVGNSLFASA-N 0 0 320.216 3.154 20 10 DGCDRN Cc1cc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)no1 ZINC000108295884 431132701 /nfs/dbraw/zinc/13/27/01/431132701.db2.gz NREBVIHNHABSME-UHFFFAOYSA-N 0 0 313.401 3.149 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)CC[C@@H]2CCCCO2)cc1 ZINC000110611838 431193513 /nfs/dbraw/zinc/19/35/13/431193513.db2.gz FIMCUZMHKOMZFP-KRWDZBQOSA-N 0 0 304.434 3.060 20 10 DGCDRN CC(C)[C@@H](NCc1ccc(N(C)C)cc1)c1nc(C2CC2)no1 ZINC000113357718 431344649 /nfs/dbraw/zinc/34/46/49/431344649.db2.gz RBEBRTQMOQHAJV-MRXNPFEDSA-N 0 0 314.433 3.500 20 10 DGCDRN C[C@@H]1CC[C@H](CCC(=O)NCc2c(O)ccc3c2CCCC3)O1 ZINC000075159604 431458338 /nfs/dbraw/zinc/45/83/38/431458338.db2.gz QCICMDZXTBELEE-UKRRQHHQSA-N 0 0 317.429 3.235 20 10 DGCDRN CC(C)[C@@H]1CN(C(=O)c2cccc(O)c2O)c2ccccc2N1 ZINC000193108744 280007403 /nfs/dbraw/zinc/00/74/03/280007403.db2.gz TWGQKTYZCXPCTL-AWEZNQCLSA-N 0 0 312.369 3.195 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCCc2occc21 ZINC000120858107 431738193 /nfs/dbraw/zinc/73/81/93/431738193.db2.gz JMVGMXAOELICHJ-CQSZACIVSA-N 0 0 300.358 3.204 20 10 DGCDRN COc1cccc(C[N@H+](C)CCOc2ccccc2F)c1O ZINC000121522667 431799187 /nfs/dbraw/zinc/79/91/87/431799187.db2.gz XWDXDFYLICWJTN-UHFFFAOYSA-N 0 0 305.349 3.051 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCCCC(C)(C)CO ZINC000122737191 431843482 /nfs/dbraw/zinc/84/34/82/431843482.db2.gz KSLRHLVJPRGIHP-UHFFFAOYSA-N 0 0 322.449 3.113 20 10 DGCDRN CC[C@@H](CC1CCCC1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000122285594 431824440 /nfs/dbraw/zinc/82/44/40/431824440.db2.gz RVBJHDFFNYKVSP-HNNXBMFYSA-N 0 0 305.418 3.363 20 10 DGCDRN C[N@H+](CCn1cccn1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000125288996 431920136 /nfs/dbraw/zinc/92/01/36/431920136.db2.gz VAVABUIOFGTEBC-UHFFFAOYSA-N 0 0 300.189 3.028 20 10 DGCDRN CC(=O)c1cc(F)cc(CN(C)[C@@H](C)c2ccncc2)c1O ZINC000091986310 431906197 /nfs/dbraw/zinc/90/61/97/431906197.db2.gz CGOOIBJKSMOGRB-NSHDSACASA-N 0 0 302.349 3.322 20 10 DGCDRN Cc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc(Cl)n1 ZINC000125583528 431930327 /nfs/dbraw/zinc/93/03/27/431930327.db2.gz OGAWIZFCHZYEBD-UHFFFAOYSA-N 0 0 317.820 3.382 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN(C)Cc2cccnc2)c1O ZINC000050134342 431946974 /nfs/dbraw/zinc/94/69/74/431946974.db2.gz MARLPKHBRYGRGX-UHFFFAOYSA-N 0 0 304.777 3.275 20 10 DGCDRN CC[C@H]1c2ccsc2CCN1C(=O)c1cccc(O)c1O ZINC000187073281 281280788 /nfs/dbraw/zinc/28/07/88/281280788.db2.gz PYNSHEUDZGDFGU-LBPRGKRZSA-N 0 0 303.383 3.309 20 10 DGCDRN COc1ccc(S(=O)(=O)Nc2ccc(O)cc2C)c(C)c1C ZINC000151871675 432284442 /nfs/dbraw/zinc/28/44/42/432284442.db2.gz OOHHAKBBPVPPHA-UHFFFAOYSA-N 0 0 321.398 3.127 20 10 DGCDRN C[C@@H](Cc1ccccc1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173187394 432264248 /nfs/dbraw/zinc/26/42/48/432264248.db2.gz IHCNCUKRJRQZKD-HNNXBMFYSA-N 0 0 324.424 3.357 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@@](C)(O)C1 ZINC000152504803 432338060 /nfs/dbraw/zinc/33/80/60/432338060.db2.gz XDSSYXKOXLDYMB-QGZVFWFLSA-N 0 0 318.442 3.143 20 10 DGCDRN C[C@@H](OC1CCCCCC1)C(=O)NCCc1ccc(N)cc1 ZINC000152563458 432341828 /nfs/dbraw/zinc/34/18/28/432341828.db2.gz IZXGZTSLMLDYIV-CQSZACIVSA-N 0 0 304.434 3.055 20 10 DGCDRN O=C(CN1CC[C@H](O)C1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000152107778 432305409 /nfs/dbraw/zinc/30/54/09/432305409.db2.gz ZDFACFZCRYLBCH-UAFUQJIBSA-N 0 0 324.384 3.107 20 10 DGCDRN CCc1ccc(CNC(=O)NCc2cccc(OC)c2O)s1 ZINC000173956506 432310378 /nfs/dbraw/zinc/31/03/78/432310378.db2.gz CJKFYSQCNGYUFZ-UHFFFAOYSA-N 0 0 320.414 3.024 20 10 DGCDRN C[C@H](Nc1ccc(OCC(=O)N(C)C)cc1)c1ccccc1O ZINC000183649054 432312731 /nfs/dbraw/zinc/31/27/31/432312731.db2.gz BHIVBPBJYDLDPO-ZDUSSCGKSA-N 0 0 314.385 3.032 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCO[C@@H](C)C2)cc1 ZINC000271321005 432374419 /nfs/dbraw/zinc/37/44/19/432374419.db2.gz YRPOXUKYSRUIMB-DOTOQJQBSA-N 0 0 312.413 3.391 20 10 DGCDRN O=C(/C=C\c1ccc(Cl)nc1)N1CCSc2ncccc21 ZINC000255070627 432407399 /nfs/dbraw/zinc/40/73/99/432407399.db2.gz PZUKJXKYYZSJFW-XQRVVYSFSA-N 0 0 317.801 3.282 20 10 DGCDRN COCCOCC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192734069 432406764 /nfs/dbraw/zinc/40/67/64/432406764.db2.gz PXEZDCIIVDGPCF-SECBINFHSA-N 0 0 308.205 3.013 20 10 DGCDRN Cc1ncc(/C=C\C(=O)N(C)c2cccc([N+](=O)[O-])c2)s1 ZINC000255393001 432409881 /nfs/dbraw/zinc/40/98/81/432409881.db2.gz HHSIYGOUDMADOE-SREVYHEPSA-N 0 0 303.343 3.036 20 10 DGCDRN O=C(/C=C\c1ccc(Cl)nc1)N1CCSc2ccncc21 ZINC000255542262 432411124 /nfs/dbraw/zinc/41/11/24/432411124.db2.gz PPJZBJUDVJHHDA-RQOWECAXSA-N 0 0 317.801 3.282 20 10 DGCDRN CC(C)N(C(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000175861790 432473791 /nfs/dbraw/zinc/47/37/91/432473791.db2.gz BGQGRWRSTBXRKF-UHFFFAOYSA-N 0 0 301.434 3.369 20 10 DGCDRN Nc1ccc(CCNC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)cc1 ZINC000262359850 432482573 /nfs/dbraw/zinc/48/25/73/432482573.db2.gz WFZXGJOHMWGKFC-UONOGXRCSA-N 0 0 314.351 3.296 20 10 DGCDRN C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)Cc1ccc(N)cc1 ZINC000262626942 432494083 /nfs/dbraw/zinc/49/40/83/432494083.db2.gz LKHKAXYQBQOUTG-YJBOKZPZSA-N 0 0 308.425 3.291 20 10 DGCDRN Cc1cccc(C)c1OC[C@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000262626199 432495258 /nfs/dbraw/zinc/49/52/58/432495258.db2.gz IWKIYMCJEQTYSC-HNNXBMFYSA-N 0 0 312.413 3.012 20 10 DGCDRN C[C@H](O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000193369279 432469069 /nfs/dbraw/zinc/46/90/69/432469069.db2.gz KRMBLZNCYQUMSF-ZFWWWQNUSA-N 0 0 318.442 3.202 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCCC1(C)C ZINC000194470320 432553998 /nfs/dbraw/zinc/55/39/98/432553998.db2.gz CLIZGMVCXMGZAY-TZMCWYRMSA-N 0 0 305.418 3.361 20 10 DGCDRN CCOc1cccc([C@H](C)NC(=O)NCc2ccccc2O)c1 ZINC000263740669 432570961 /nfs/dbraw/zinc/57/09/61/432570961.db2.gz OGWIHEXEVMZNQS-ZDUSSCGKSA-N 0 0 314.385 3.351 20 10 DGCDRN Cc1ccccc1C1(CNC(=O)NCc2ccccc2O)CC1 ZINC000263819056 432581646 /nfs/dbraw/zinc/58/16/46/432581646.db2.gz JJHWUZOINRCZKW-UHFFFAOYSA-N 0 0 310.397 3.232 20 10 DGCDRN C[C@@H](N[C@H](CO)c1c(F)cccc1F)c1cc(F)ccc1O ZINC000273465869 432601699 /nfs/dbraw/zinc/60/16/99/432601699.db2.gz IUJOVISOBYFWLL-YMTOWFKASA-N 0 0 311.303 3.194 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccccc2N2CCCC2)c(O)c1O ZINC000177667756 432648076 /nfs/dbraw/zinc/64/80/76/432648076.db2.gz MMHZOJILWFXARP-UHFFFAOYSA-N 0 0 312.369 3.259 20 10 DGCDRN C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(F)c(F)c1[O-] ZINC000187827984 432687930 /nfs/dbraw/zinc/68/79/30/432687930.db2.gz QPBFPMJBRLWMGG-NAMSACQYSA-N 0 0 309.356 3.279 20 10 DGCDRN O=C(C1=CCCCC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000276137749 432775205 /nfs/dbraw/zinc/77/52/05/432775205.db2.gz CUDJQKHKCBVOTL-QGZVFWFLSA-N 0 0 315.413 3.400 20 10 DGCDRN CC[C@H](C)c1nnc([C@@H](C)NCc2ccc(N(C)C)cc2)[nH]1 ZINC000276761892 432824400 /nfs/dbraw/zinc/82/44/00/432824400.db2.gz AJBJELKEGXWRSW-QWHCGFSZSA-N 0 0 301.438 3.235 20 10 DGCDRN O=C([O-])CCCCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000277038152 432829173 /nfs/dbraw/zinc/82/91/73/432829173.db2.gz QPLDSDXGAOBJRI-UHFFFAOYSA-N 0 0 304.434 3.412 20 10 DGCDRN CC[C@H](C)[C@H](C)C(=O)NCc1cccc(Br)c1O ZINC000277582078 432862349 /nfs/dbraw/zinc/86/23/49/432862349.db2.gz RMEMWLKHSCZWJB-UWVGGRQHSA-N 0 0 314.223 3.453 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000278332572 432891618 /nfs/dbraw/zinc/89/16/18/432891618.db2.gz WNZYDVOJKAGDLS-GPXNAGAYSA-N 0 0 318.122 3.273 20 10 DGCDRN CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278369213 432891858 /nfs/dbraw/zinc/89/18/58/432891858.db2.gz BYUNYPIBLQJQHP-IUCAKERBSA-N 0 0 319.232 3.216 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]CC[C@@H](C)CC(=O)[O-])cc1F ZINC000277460193 432852906 /nfs/dbraw/zinc/85/29/06/432852906.db2.gz VMUVCCAJEDVWCU-CYBMUJFWSA-N 0 0 310.413 3.262 20 10 DGCDRN CC(C)(C)OC(=O)NCc1cccc(Br)c1O ZINC000277548457 432859671 /nfs/dbraw/zinc/85/96/71/432859671.db2.gz YBYXENGTNVUWOI-UHFFFAOYSA-N 0 0 302.168 3.179 20 10 DGCDRN C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc(F)cc1[O-] ZINC000278504500 432897218 /nfs/dbraw/zinc/89/72/18/432897218.db2.gz QUUOTMAPCJTZSZ-MRVPVSSYSA-N 0 0 313.266 3.099 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]2CF)cc1 ZINC000296514073 432917783 /nfs/dbraw/zinc/91/77/83/432917783.db2.gz ZPEWNOGYWAERNS-INIZCTEOSA-N 0 0 307.413 3.176 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000289957467 432980918 /nfs/dbraw/zinc/98/09/18/432980918.db2.gz YYYDQEVZSMEBOI-WDEREUQCSA-N 0 0 323.742 3.038 20 10 DGCDRN CC(C)c1scnc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000290075059 432987337 /nfs/dbraw/zinc/98/73/37/432987337.db2.gz ZBMSCWIFQUJBDS-UHFFFAOYSA-N 0 0 321.402 3.042 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCSC1 ZINC000279333703 432957606 /nfs/dbraw/zinc/95/76/06/432957606.db2.gz QKWSRTOYTAPVMV-ZDUSSCGKSA-N 0 0 308.447 3.067 20 10 DGCDRN COc1cc(Cl)cc(CN[C@@H](C2CC2)C(F)(F)F)c1O ZINC000290178851 433007845 /nfs/dbraw/zinc/00/78/45/433007845.db2.gz NOKJLSHVHXIWOP-LBPRGKRZSA-N 0 0 309.715 3.485 20 10 DGCDRN CCOC(=O)N1CCC([NH2+][C@H](CC)c2ccc(C)cc2O)CC1 ZINC000280189270 433011740 /nfs/dbraw/zinc/01/17/40/433011740.db2.gz SEHYTMUOKOPIJP-MRXNPFEDSA-N 0 0 320.433 3.362 20 10 DGCDRN COc1ccc(O)c(C[NH2+][C@H](C)CCOCc2ccccc2)c1 ZINC000290285006 433025019 /nfs/dbraw/zinc/02/50/19/433025019.db2.gz ZMMSHIBZEFRMHB-OAHLLOKOSA-N 0 0 315.413 3.486 20 10 DGCDRN C[NH+](C)[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000373005009 433073819 /nfs/dbraw/zinc/07/38/19/433073819.db2.gz CDNOZZGPNQOBLV-LLVKDONJSA-N 0 0 300.805 3.101 20 10 DGCDRN CN(C)c1ccc(CN2CCO[C@H](c3ccco3)C2)cc1F ZINC000374266978 433182821 /nfs/dbraw/zinc/18/28/21/433182821.db2.gz BPEAXSOGWHSOLH-KRWDZBQOSA-N 0 0 304.365 3.058 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290906603 433204022 /nfs/dbraw/zinc/20/40/22/433204022.db2.gz MQSLDRQAUJSCRK-LBPRGKRZSA-N 0 0 312.200 3.343 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC1(C(F)F)CC1 ZINC000337822222 433263600 /nfs/dbraw/zinc/26/36/00/433263600.db2.gz VBILRGRUOCXDDP-UHFFFAOYSA-N 0 0 307.344 3.084 20 10 DGCDRN CCn1ccnc1[C@H]1CCCCN1Cc1cccc(OC)c1O ZINC000281169369 433265966 /nfs/dbraw/zinc/26/59/66/433265966.db2.gz QKTCGECMFKHGHA-OAHLLOKOSA-N 0 0 315.417 3.344 20 10 DGCDRN CC(C)c1scnc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000291799972 433359715 /nfs/dbraw/zinc/35/97/15/433359715.db2.gz ZEDJFTDGKXJKFH-SNVBAGLBSA-N 0 0 320.414 3.039 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2c[nH]c(C(F)(F)F)c2)cc1 ZINC000292139394 433474001 /nfs/dbraw/zinc/47/40/01/433474001.db2.gz DVPORGTUFDLSAX-UHFFFAOYSA-N 0 0 311.307 3.030 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)C(C)(F)F ZINC000454878519 433529456 /nfs/dbraw/zinc/52/94/56/433529456.db2.gz SWCONEXIRMJDQC-LLVKDONJSA-N 0 0 309.360 3.330 20 10 DGCDRN C[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000282220521 433531706 /nfs/dbraw/zinc/53/17/06/433531706.db2.gz HYEIPHBZNAWEJH-WPCRTTGESA-N 0 0 322.257 3.261 20 10 DGCDRN Cc1cncc(CCC(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000292288961 433540622 /nfs/dbraw/zinc/54/06/22/433540622.db2.gz YSSVCYZJWJXXDU-UHFFFAOYSA-N 0 0 323.440 3.021 20 10 DGCDRN COc1ccc(/C=C2/SC(=S)N(C3CCC3)C2=O)cc1 ZINC000292396453 433563733 /nfs/dbraw/zinc/56/37/33/433563733.db2.gz WNNYLQONOIGIOP-UKTHLTGXSA-N 0 0 305.424 3.449 20 10 DGCDRN CC[C@H]([NH2+]Cc1cnc2n1CCCC2)c1ccc(F)cc1[O-] ZINC000375800453 433570646 /nfs/dbraw/zinc/57/06/46/433570646.db2.gz AQWCZNDXIJJFSY-HNNXBMFYSA-N 0 0 303.381 3.305 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)C[C@@H]1CCCCO1 ZINC000282388646 433588485 /nfs/dbraw/zinc/58/84/85/433588485.db2.gz DKMHIPBDOKSLML-INIZCTEOSA-N 0 0 305.418 3.480 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC2CCC1CC2 ZINC000362336525 433652046 /nfs/dbraw/zinc/65/20/46/433652046.db2.gz OVEMHWNUQOYOEK-UHFFFAOYSA-N 0 0 311.429 3.147 20 10 DGCDRN COc1ncc(Cl)c(NCCCSc2nccs2)n1 ZINC000301754489 433707949 /nfs/dbraw/zinc/70/79/49/433707949.db2.gz COMSCRPYQIADJO-UHFFFAOYSA-N 0 0 316.839 3.189 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCSC1 ZINC000283476056 433732880 /nfs/dbraw/zinc/73/28/80/433732880.db2.gz WSVWVBCKYHTZSQ-AWEZNQCLSA-N 0 0 322.474 3.457 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ncoc1C1CC1 ZINC000293462641 433749433 /nfs/dbraw/zinc/74/94/33/433749433.db2.gz SUIBMRBRXASIAH-UHFFFAOYSA-N 0 0 300.358 3.310 20 10 DGCDRN Cc1noc([C@H]2CCCCN2Cc2ccc(N(C)C)c(C)c2)n1 ZINC000293551210 433777461 /nfs/dbraw/zinc/77/74/61/433777461.db2.gz LDPRHDGGZZGOQV-QGZVFWFLSA-N 0 0 314.433 3.480 20 10 DGCDRN Cc1nnc([C@H](C)[NH2+]Cc2cc(Cl)c(F)cc2[O-])s1 ZINC000293624613 433808632 /nfs/dbraw/zinc/80/86/32/433808632.db2.gz MUQFFPQCHLSVEB-LURJTMIESA-N 0 0 301.774 3.195 20 10 DGCDRN C[C@H](COCC(F)(F)F)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293802440 433876972 /nfs/dbraw/zinc/87/69/72/433876972.db2.gz CCEHNDCDWSRXBZ-SSDOTTSWSA-N 0 0 315.694 3.242 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1cnccc1Cl ZINC000293710778 433838290 /nfs/dbraw/zinc/83/82/90/433838290.db2.gz LTVWYFWBUSBXQX-UHFFFAOYSA-N 0 0 318.804 3.422 20 10 DGCDRN CCOCC(C)(C)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000293778945 433867273 /nfs/dbraw/zinc/86/72/73/433867273.db2.gz BLRJEXTWCSZAFZ-UHFFFAOYSA-N 0 0 315.417 3.034 20 10 DGCDRN CC(C)n1cc(CN2CCCc3cc(OC(F)F)ccc32)nn1 ZINC000377617182 433929076 /nfs/dbraw/zinc/92/90/76/433929076.db2.gz AAWPBWNRVGFINZ-UHFFFAOYSA-N 0 0 322.359 3.413 20 10 DGCDRN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1c(F)cncc1F ZINC000285418543 433942862 /nfs/dbraw/zinc/94/28/62/433942862.db2.gz GJZJPMOMAAZDJS-JTQLQIEISA-N 0 0 309.335 3.416 20 10 DGCDRN O=C1COc2c(NCc3c(O)ccc(Cl)c3F)cccc2N1 ZINC000377765587 433992426 /nfs/dbraw/zinc/99/24/26/433992426.db2.gz DGSMIXSHFJVTJL-UHFFFAOYSA-N 0 0 322.723 3.128 20 10 DGCDRN C[N@@H+](Cc1cccc(Cl)c1[O-])C[C@@H](O)Cc1ccccc1 ZINC000294076525 433987246 /nfs/dbraw/zinc/98/72/46/433987246.db2.gz YTNFCJFASWKAQB-HNNXBMFYSA-N 0 0 305.805 3.081 20 10 DGCDRN CN(C)c1ccc(CNCc2c(F)ccc(O)c2F)cc1F ZINC000294345435 434097011 /nfs/dbraw/zinc/09/70/11/434097011.db2.gz SIPALUQJMFMICX-UHFFFAOYSA-N 0 0 310.319 3.165 20 10 DGCDRN Oc1cc(F)c(Cl)cc1CNc1cnn(CC(F)F)c1 ZINC000294245324 434056815 /nfs/dbraw/zinc/05/68/15/434056815.db2.gz NCBCBMDOHJFVSH-UHFFFAOYSA-N 0 0 305.687 3.258 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccsn1 ZINC000294481566 434115918 /nfs/dbraw/zinc/11/59/18/434115918.db2.gz OASUCJHOIQXZMB-UHFFFAOYSA-N 0 0 303.431 3.260 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H](O)CC2)cc1 ZINC000294667796 434126846 /nfs/dbraw/zinc/12/68/46/434126846.db2.gz FFMLMSLQTOACOT-GOSISDBHSA-N 0 0 312.413 3.081 20 10 DGCDRN CCOc1ccc(O)c(CN2CC(C)(C)[C@@H]2c2nccn2C)c1 ZINC000294754902 434133009 /nfs/dbraw/zinc/13/30/09/434133009.db2.gz IOUBHJDQFHQVBD-INIZCTEOSA-N 0 0 315.417 3.108 20 10 DGCDRN Cc1ccc([C@H](C)NCc2ncn(-c3ccccc3)n2)c(O)c1C ZINC000294875825 434149541 /nfs/dbraw/zinc/14/95/41/434149541.db2.gz DBTIEAKKABAVHT-HNNXBMFYSA-N 0 0 322.412 3.441 20 10 DGCDRN CN(CC1(c2ccccc2)CC1)C(=O)c1c(F)ccc(O)c1O ZINC000294879629 434151167 /nfs/dbraw/zinc/15/11/67/434151167.db2.gz AACWLKPFRBPNON-UHFFFAOYSA-N 0 0 315.344 3.041 20 10 DGCDRN COc1ccc(N(C[C@@H](O)c2cccnc2)[C@@H](C)C2CC2)cc1 ZINC000294951326 434156428 /nfs/dbraw/zinc/15/64/28/434156428.db2.gz MOIKPYOLIOQISP-IFXJQAMLSA-N 0 0 312.413 3.429 20 10 DGCDRN COc1cc(O)c(CNc2ccccc2OCCF)cc1OC ZINC000295077215 434183843 /nfs/dbraw/zinc/18/38/43/434183843.db2.gz HWHHSWNLIMUTGW-UHFFFAOYSA-N 0 0 321.348 3.370 20 10 DGCDRN CCc1nc([C@@H]2CCCCN2Cc2cc(OC)ccc2O)no1 ZINC000378440498 434184073 /nfs/dbraw/zinc/18/40/73/434184073.db2.gz BKYVAJFDCFFCHJ-AWEZNQCLSA-N 0 0 317.389 3.073 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@H]2CCCCC2(F)F)c1 ZINC000295110230 434206438 /nfs/dbraw/zinc/20/64/38/434206438.db2.gz LMRGIIGYHBFCRT-LLVKDONJSA-N 0 0 300.305 3.216 20 10 DGCDRN CC[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccc(F)cc1[O-] ZINC000287486631 434373736 /nfs/dbraw/zinc/37/37/36/434373736.db2.gz NBKBDMARTBAQAM-CYBMUJFWSA-N 0 0 306.385 3.119 20 10 DGCDRN CCN(CC)c1ccc(CNc2ncc([N+](=O)[O-])c(C)n2)cc1 ZINC000295434754 434360363 /nfs/dbraw/zinc/36/03/63/434360363.db2.gz FYPKCJPPDZVZDR-UHFFFAOYSA-N 0 0 315.377 3.152 20 10 DGCDRN CN(Cc1ccccc1O)S(=O)(=O)c1ccc(C2CC2)cc1 ZINC000295610622 434424336 /nfs/dbraw/zinc/42/43/36/434424336.db2.gz NSYQWDZCMIBTIK-UHFFFAOYSA-N 0 0 317.410 3.090 20 10 DGCDRN CC[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1cccc(Cl)c1[O-] ZINC000287826476 434459467 /nfs/dbraw/zinc/45/94/67/434459467.db2.gz VLZMVLULPCGKFT-OAHLLOKOSA-N 0 0 324.852 3.489 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC=C(c2ccco2)C1 ZINC000367651677 434552461 /nfs/dbraw/zinc/55/24/61/434552461.db2.gz VFRRSBXDHXRMPM-SOFGYWHQSA-N 0 0 311.337 3.020 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1ccc(F)cc1[O-] ZINC000367621811 434552534 /nfs/dbraw/zinc/55/25/34/434552534.db2.gz UGKMKYOJKXGZFQ-LZLYRXPVSA-N 0 0 301.361 3.230 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC12CCC(CC1)C2 ZINC000368358484 434571953 /nfs/dbraw/zinc/57/19/53/434571953.db2.gz VITPRGUQNIOFCP-UHFFFAOYSA-N 0 0 311.429 3.195 20 10 DGCDRN COc1ccc([C@H](CO)[N@H+](C)Cc2cccc(Cl)c2[O-])cc1 ZINC000271780358 295242177 /nfs/dbraw/zinc/24/21/77/295242177.db2.gz HPWWRRJIUHZPTC-INIZCTEOSA-N 0 0 321.804 3.220 20 10 DGCDRN COc1ccc(O)c(CNc2cccc(-c3nnc(C)n3C)c2)c1 ZINC000360808609 434698465 /nfs/dbraw/zinc/69/84/65/434698465.db2.gz FMNQVNVWIRCCFI-UHFFFAOYSA-N 0 0 324.384 3.117 20 10 DGCDRN Oc1ccc2ccccc2c1CN1CCn2c(nnc2C2CC2)C1 ZINC000371635417 434732417 /nfs/dbraw/zinc/73/24/17/434732417.db2.gz WJZTYYLVIAREBC-UHFFFAOYSA-N 0 0 320.396 3.030 20 10 DGCDRN CCc1nc([C@H]2CCCCN2Cc2ccc(N(C)C)cc2)no1 ZINC000361168474 434821295 /nfs/dbraw/zinc/82/12/95/434821295.db2.gz NSTPNSPRVSSHAU-MRXNPFEDSA-N 0 0 314.433 3.425 20 10 DGCDRN CCN(C(=O)/C=C/c1ccccc1-n1cccn1)c1cccnc1 ZINC000492037391 434903783 /nfs/dbraw/zinc/90/37/83/434903783.db2.gz YUSXKBXOSLGAIY-ZHACJKMWSA-N 0 0 318.380 3.334 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ncsc2C)c1 ZINC000529147652 435033007 /nfs/dbraw/zinc/03/30/07/435033007.db2.gz WOFXKZMWWQNQLR-MRVPVSSYSA-N 0 0 307.375 3.048 20 10 DGCDRN CN(C(=O)/C=C\c1cncs1)c1ccc(-c2ccccc2)nn1 ZINC000493048190 435098805 /nfs/dbraw/zinc/09/88/05/435098805.db2.gz CWNSCGHQMYXTIP-YFHOEESVSA-N 0 0 322.393 3.276 20 10 DGCDRN CN(C(=O)/C=C\c1ccn(C)c1)c1ccc(-c2ccccc2)nn1 ZINC000493466485 435177245 /nfs/dbraw/zinc/17/72/45/435177245.db2.gz RWPQFWIAFMGBNZ-FLIBITNWSA-N 0 0 318.380 3.158 20 10 DGCDRN Cc1nc([C@@H]2CCCCN2Cc2cc(Cl)ccc2O)no1 ZINC000372839450 302626032 /nfs/dbraw/zinc/62/60/32/302626032.db2.gz RVKVURJHRMQGRJ-ZDUSSCGKSA-N 0 0 307.781 3.464 20 10 DGCDRN COc1cccc(CNC(=O)CC2(c3ccccc3)CC2)c1O ZINC000528860660 313101175 /nfs/dbraw/zinc/10/11/75/313101175.db2.gz JTCJBGKLZVYSIC-UHFFFAOYSA-N 0 0 311.381 3.139 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C\c2cnc(C)s2)cc1F ZINC000255153835 331718169 /nfs/dbraw/zinc/71/81/69/331718169.db2.gz KTUBMPKUEJSMTK-ALCCZGGFSA-N 0 0 306.362 3.275 20 10 DGCDRN Cc1cc(C(=O)N2CCn3nccc32)c(C)n1-c1ccccc1C ZINC000367515191 332215803 /nfs/dbraw/zinc/21/58/03/332215803.db2.gz YRPJWVVXLTWCDI-UHFFFAOYSA-N 0 0 320.396 3.259 20 10 DGCDRN CCN(C(=O)c1ccoc1CC(N)=O)c1cccc2ccccc21 ZINC000560470049 332342654 /nfs/dbraw/zinc/34/26/54/332342654.db2.gz QHRCSFYLRBGRSY-UHFFFAOYSA-N 0 0 322.364 3.127 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2CCCOCC2)c(C)n1-c1ccccc1 ZINC000180996524 333166555 /nfs/dbraw/zinc/16/65/55/333166555.db2.gz VYEXJTPKZKQGPQ-MRXNPFEDSA-N 0 0 312.413 3.393 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cnn(C)c1C1CC1 ZINC000527317317 335650030 /nfs/dbraw/zinc/65/00/30/335650030.db2.gz PWXOSWMZZUGHFR-UHFFFAOYSA-N 0 0 322.412 3.028 20 10 DGCDRN COCCC1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000529638301 340765939 /nfs/dbraw/zinc/76/59/39/340765939.db2.gz PEEOBFYRSVGRFN-UHFFFAOYSA-N 0 0 301.789 3.433 20 10 DGCDRN Cc1cc(C)cc(N(C)C(=O)c2c[nH]nc2-c2cccnc2)c1 ZINC000542326673 341005368 /nfs/dbraw/zinc/00/53/68/341005368.db2.gz NEUCWOYJYFKBBI-UHFFFAOYSA-N 0 0 306.369 3.365 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCC(C)(C)C1 ZINC000542865958 341024144 /nfs/dbraw/zinc/02/41/44/341024144.db2.gz IRITZZLKUOSAJD-ZDUSSCGKSA-N 0 0 302.418 3.304 20 10 DGCDRN CCc1nnc(C)cc1C(=O)NCc1c(C)c2ccccc2n1C ZINC000547772316 341231875 /nfs/dbraw/zinc/23/18/75/341231875.db2.gz BEISUFMKBKXWFM-UHFFFAOYSA-N 0 0 322.412 3.078 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1cncc(F)c1 ZINC000439628527 533971163 /nfs/dbraw/zinc/97/11/63/533971163.db2.gz LVDAVPABQDPQRY-UHFFFAOYSA-N 0 0 312.348 3.343 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cc(C2CC2)n[nH]1 ZINC000352110393 533970892 /nfs/dbraw/zinc/97/08/92/533970892.db2.gz BYAVUMDBYJJNLU-UHFFFAOYSA-N 0 0 308.385 3.017 20 10 DGCDRN COc1ccc(N2CCN(c3ncc(Cl)cc3F)CC2)cc1 ZINC000301547189 534016278 /nfs/dbraw/zinc/01/62/78/534016278.db2.gz PSHCADWKBZSMBY-UHFFFAOYSA-N 0 0 321.783 3.209 20 10 DGCDRN CC(C)([NH2+]Cc1cccc(Cl)c1[O-])C(=O)NCC1CCCC1 ZINC000182660542 519324741 /nfs/dbraw/zinc/32/47/41/519324741.db2.gz SDAGSKIVMTYKCD-UHFFFAOYSA-N 0 0 324.852 3.220 20 10 DGCDRN CCO[C@@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)C12CCCCC2 ZINC000236872557 520352443 /nfs/dbraw/zinc/35/24/43/520352443.db2.gz VRQVVAZDYYZDHC-IAGOWNOFSA-N 0 0 316.445 3.055 20 10 DGCDRN CCCOc1ccc(CNc2nnc(CC(C)C)o2)c(O)c1 ZINC000181772059 520377173 /nfs/dbraw/zinc/37/71/73/520377173.db2.gz MEAZXGRCNFASRU-UHFFFAOYSA-N 0 0 305.378 3.375 20 10 DGCDRN CCC[C@@H]1C[C@@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000182904143 520844311 /nfs/dbraw/zinc/84/43/11/520844311.db2.gz NAHBLUDYVDRUDE-FUHWJXTLSA-N 0 0 318.461 3.306 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccnn2C(C)C)cc1 ZINC000268865017 520902411 /nfs/dbraw/zinc/90/24/11/520902411.db2.gz ZSZHFDPBFQSHIJ-UHFFFAOYSA-N 0 0 314.433 3.240 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H](C)CCCOC)cc1 ZINC000182522628 520902923 /nfs/dbraw/zinc/90/29/23/520902923.db2.gz PATDLWANGPRDKE-OAHLLOKOSA-N 0 0 306.450 3.212 20 10 DGCDRN CCN(CC)c1ccc(CNCc2c(Cl)cnn2C)cc1F ZINC000131381250 520908128 /nfs/dbraw/zinc/90/81/28/520908128.db2.gz LRBCXSNRQYRYEU-UHFFFAOYSA-N 0 0 324.831 3.349 20 10 DGCDRN CCN(Cc1c(Cl)cnn1C)Cc1ccc(N(C)C)cc1 ZINC000189519473 521279103 /nfs/dbraw/zinc/27/91/03/521279103.db2.gz HRTGPKCVFBHKCU-UHFFFAOYSA-N 0 0 306.841 3.162 20 10 DGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CC1CC1 ZINC000266568257 521287307 /nfs/dbraw/zinc/28/73/07/521287307.db2.gz WYHRWUCAEDZYOQ-UHFFFAOYSA-N 0 0 312.207 3.303 20 10 DGCDRN CCC1(C(=O)NCc2ccc(N3CCOCC3)cc2)CCCC1 ZINC000156780237 521668263 /nfs/dbraw/zinc/66/82/63/521668263.db2.gz AKTRPYKMQPZLSQ-UHFFFAOYSA-N 0 0 316.445 3.110 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCC1CCSCC1 ZINC000265006616 521688018 /nfs/dbraw/zinc/68/80/18/521688018.db2.gz KAJBPRYOZZZKNU-UHFFFAOYSA-N 0 0 322.474 3.457 20 10 DGCDRN CCS[C@@H]1CCC[C@H](NC(=O)NCc2ccccc2O)C1 ZINC000267356732 521725861 /nfs/dbraw/zinc/72/58/61/521725861.db2.gz RYJZPGCJKVTTPZ-UONOGXRCSA-N 0 0 308.447 3.256 20 10 DGCDRN CCc1ccccc1NC(=O)CN(C)c1ccc(OC)c(F)c1 ZINC000121817963 521865792 /nfs/dbraw/zinc/86/57/92/521865792.db2.gz XLJIARJKINFWLD-UHFFFAOYSA-N 0 0 316.376 3.472 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1cnc(Cl)s1 ZINC000130451859 522255596 /nfs/dbraw/zinc/25/55/96/522255596.db2.gz MHVYHYKXXISHBP-UHFFFAOYSA-N 0 0 309.822 3.262 20 10 DGCDRN CC[C@@H]1[C@H](C)CCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000188090967 523618708 /nfs/dbraw/zinc/61/87/08/523618708.db2.gz LKERYTKIDPGMTH-CRAIPNDOSA-N 0 0 313.445 3.393 20 10 DGCDRN CCc1cc(O)ccc1NS(=O)(=O)c1ccc(C)cc1C ZINC000189430318 523829827 /nfs/dbraw/zinc/82/98/27/523829827.db2.gz JXAGYDIMNVJHEQ-UHFFFAOYSA-N 0 0 305.399 3.372 20 10 DGCDRN CCc1ccc([C@H]2COCCN2Cc2cc(OC)ccc2O)o1 ZINC000180289540 524056305 /nfs/dbraw/zinc/05/63/05/524056305.db2.gz AEWQMRMZJLUMOT-MRXNPFEDSA-N 0 0 317.385 3.130 20 10 DGCDRN Cc1cc(C)c(C(=O)NCc2ccc(N(C)C)cc2)c(Cl)n1 ZINC000181723429 524233498 /nfs/dbraw/zinc/23/34/98/524233498.db2.gz BGZKHRMLDBDQEC-UHFFFAOYSA-N 0 0 317.820 3.348 20 10 DGCDRN Cc1cccc(C)c1NC(=O)CN(C)Cc1cc(F)ccc1O ZINC000179884631 524272195 /nfs/dbraw/zinc/27/21/95/524272195.db2.gz UYXFABODXBYBEE-UHFFFAOYSA-N 0 0 316.376 3.219 20 10 DGCDRN Cc1cccc(C)c1OC[C@@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000262626201 524317351 /nfs/dbraw/zinc/31/73/51/524317351.db2.gz IWKIYMCJEQTYSC-OAHLLOKOSA-N 0 0 312.413 3.012 20 10 DGCDRN COc1ccc(N(Cc2cccs2)Cc2ncnn2C)cc1 ZINC000157930647 524368602 /nfs/dbraw/zinc/36/86/02/524368602.db2.gz FJFHKNVUUNTMDJ-UHFFFAOYSA-N 0 0 314.414 3.092 20 10 DGCDRN COc1ccc(N(Cc2cccs2)CC(OC)OC)cc1 ZINC000161769919 524369457 /nfs/dbraw/zinc/36/94/57/524369457.db2.gz CELZGGMIUDCJKX-UHFFFAOYSA-N 0 0 307.415 3.382 20 10 DGCDRN Cc1cccc(CN2CCO[C@@H](c3cccc(F)c3)C2)c1O ZINC000180024667 524402435 /nfs/dbraw/zinc/40/24/35/524402435.db2.gz WYOOIAFQZNTBDI-QGZVFWFLSA-N 0 0 301.361 3.413 20 10 DGCDRN COc1ccc(N2CCN([C@@H](C)c3cccnc3)CC2)cc1F ZINC000267933094 524431911 /nfs/dbraw/zinc/43/19/11/524431911.db2.gz OYWQWXOWWWMJKW-AWEZNQCLSA-N 0 0 315.392 3.113 20 10 DGCDRN C[C@@H](CCc1ccccc1F)C(=O)NCc1ccc(O)c(O)c1 ZINC000158995556 524539819 /nfs/dbraw/zinc/53/98/19/524539819.db2.gz CGMDLRNBCQZFJE-LBPRGKRZSA-N 0 0 317.360 3.122 20 10 DGCDRN C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H]2CCCC[C@H]12 ZINC000180507609 524736405 /nfs/dbraw/zinc/73/64/05/524736405.db2.gz LQUBEQVKKWFFSM-XKMBLQBNSA-N 0 0 301.386 3.148 20 10 DGCDRN C[C@H](NC(=O)Cc1ccc(N)cc1)c1cccc(N2CCCC2)c1 ZINC000237660447 524988217 /nfs/dbraw/zinc/98/82/17/524988217.db2.gz YLPNQIIZRLXYTG-HNNXBMFYSA-N 0 0 323.440 3.289 20 10 DGCDRN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180789117 525350092 /nfs/dbraw/zinc/35/00/92/525350092.db2.gz SRBCKDVDFHXUQJ-AYDRDCMWSA-N 0 0 301.386 3.291 20 10 DGCDRN CSCc1cccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000189476149 525737231 /nfs/dbraw/zinc/73/72/31/525737231.db2.gz SQVLKGMWJFMENF-UHFFFAOYSA-N 0 0 318.398 3.453 20 10 DGCDRN CS[C@@H](C)CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000269957337 525802800 /nfs/dbraw/zinc/80/28/00/525802800.db2.gz ZPIDOTANBDWYLU-ZDUSSCGKSA-N 0 0 321.490 3.178 20 10 DGCDRN COc1cccc(CN(C)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000131063487 525916682 /nfs/dbraw/zinc/91/66/82/525916682.db2.gz QGLFREPATIIKCX-UHFFFAOYSA-N 0 0 317.385 3.357 20 10 DGCDRN C[C@@H](SCc1ccccc1)C(=O)NCCc1ccc(N)cc1 ZINC000152496380 525978122 /nfs/dbraw/zinc/97/81/22/525978122.db2.gz HYCUAEMTIZRQMR-CQSZACIVSA-N 0 0 314.454 3.249 20 10 DGCDRN COc1cccc(CNC(=O)NCC2(CC(C)C)CC2)c1O ZINC000127570074 525984083 /nfs/dbraw/zinc/98/40/83/525984083.db2.gz PRMRDRLNFMNWRX-UHFFFAOYSA-N 0 0 306.406 3.026 20 10 DGCDRN Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)c(O)c1O ZINC000182577332 526125106 /nfs/dbraw/zinc/12/51/06/526125106.db2.gz BLKTYJNOMLLVJT-UKRRQHHQSA-N 0 0 311.381 3.424 20 10 DGCDRN Oc1ccc(F)cc1CN1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000179936458 526349916 /nfs/dbraw/zinc/34/99/16/526349916.db2.gz KOMRBGQTQAVGHX-QGZVFWFLSA-N 0 0 305.324 3.244 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000159005323 526686793 /nfs/dbraw/zinc/68/67/93/526686793.db2.gz BRKQTIBWPQBOFZ-MNOVXSKESA-N 0 0 317.307 3.083 20 10 DGCDRN Cc1nc(Cl)ccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000152605831 526936128 /nfs/dbraw/zinc/93/61/28/526936128.db2.gz DLFYCJXPGJSLBX-UHFFFAOYSA-N 0 0 317.820 3.382 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000180894818 527612390 /nfs/dbraw/zinc/61/23/90/527612390.db2.gz NRCLHUWCRNHVPV-AZHOBDGFSA-N 0 0 301.386 3.292 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H]1C1CCCC1 ZINC000180689166 527613621 /nfs/dbraw/zinc/61/36/21/527613621.db2.gz KWOWRFDFHDNWRK-HQPKTYMTSA-N 0 0 301.386 3.292 20 10 DGCDRN O=C(/C=C/c1cccc(O)c1)NCc1ccc(N2CCCC2)cc1 ZINC000187988784 527626883 /nfs/dbraw/zinc/62/68/83/527626883.db2.gz KTXMHGUXWUBGAY-DHZHZOJOSA-N 0 0 322.408 3.322 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC(=O)C[C@H]2C)cc1 ZINC000179547647 528305700 /nfs/dbraw/zinc/30/57/00/528305700.db2.gz MMBPZBSXESNPTN-RDTXWAMCSA-N 0 0 316.445 3.154 20 10 DGCDRN CCN(CC1CC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000171976770 528326803 /nfs/dbraw/zinc/32/68/03/528326803.db2.gz BEMXMOFSCLRSON-UHFFFAOYSA-N 0 0 301.434 3.228 20 10 DGCDRN CCC(CC)(CCO)C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273586235 534920215 /nfs/dbraw/zinc/92/02/15/534920215.db2.gz NXUGWBHMOQKFGG-CYBMUJFWSA-N 0 0 323.433 3.018 20 10 DGCDRN CC(C)[C@H]1C[C@H](CC(=O)N(C)Cc2ccccc2O)CCO1 ZINC000272899488 535255863 /nfs/dbraw/zinc/25/58/63/535255863.db2.gz XURUYSVINRXWQW-RHSMWYFYSA-N 0 0 305.418 3.192 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)CC[C@@H]1CCOC1 ZINC000282362288 535260747 /nfs/dbraw/zinc/26/07/47/535260747.db2.gz BMFFFIZVEFHGLD-OAHLLOKOSA-N 0 0 305.418 3.338 20 10 DGCDRN C[NH+](C)CCN(Cc1ccco1)Cc1cccc(Cl)c1[O-] ZINC000289425777 535868723 /nfs/dbraw/zinc/86/87/23/535868723.db2.gz JVVBYWMWKMQOJF-UHFFFAOYSA-N 0 0 308.809 3.202 20 10 DGCDRN CC[C@@H]1C(=O)NCCN1Cc1cc2oc3ccccc3c2cc1O ZINC000730257243 574522871 /nfs/dbraw/zinc/52/28/71/574522871.db2.gz WUUZPUQYMHNEDD-OAHLLOKOSA-N 0 0 324.380 3.002 20 10 DGCDRN CCN(CC)c1ccc(CNC(=S)NCC(C)C)cc1F ZINC000731319906 574547081 /nfs/dbraw/zinc/54/70/81/574547081.db2.gz QWHLXDYNQVILPM-UHFFFAOYSA-N 0 0 311.470 3.292 20 10 DGCDRN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)C1=CC(=O)CS1 ZINC000731870361 574560625 /nfs/dbraw/zinc/56/06/25/574560625.db2.gz WXJJGUGZNOXJEF-UHFFFAOYSA-N 0 0 316.382 3.363 20 10 DGCDRN COCCOc1cc(C)ccc1NC(=O)C1=CC(=O)CS1 ZINC000731870115 574560703 /nfs/dbraw/zinc/56/07/03/574560703.db2.gz CKNNMRMOHSVBRP-UHFFFAOYSA-N 0 0 307.371 3.040 20 10 DGCDRN O=C(NCc1cccc(C(F)(F)F)c1)C1=CC(=O)CS1 ZINC000731866890 574561181 /nfs/dbraw/zinc/56/11/81/574561181.db2.gz TZOJZVBNHUPYRB-UHFFFAOYSA-N 0 0 301.289 3.403 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCN(c2ccccc2Cl)CC1 ZINC000731868434 574561402 /nfs/dbraw/zinc/56/14/02/574561402.db2.gz YZGCPGCFHPVLPE-UHFFFAOYSA-N 0 0 322.817 3.070 20 10 DGCDRN CC(C)N(C(=O)COC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000731910591 574561834 /nfs/dbraw/zinc/56/18/34/574561834.db2.gz SYGDBRJVTHFAPZ-UHFFFAOYSA-N 0 0 319.382 3.052 20 10 DGCDRN CN(CCCOc1ccc(F)cc1)C(=O)C1=CC(=O)CS1 ZINC000732270389 574569682 /nfs/dbraw/zinc/56/96/82/574569682.db2.gz ADJPEHZQXJNLEH-UHFFFAOYSA-N 0 0 309.362 3.134 20 10 DGCDRN CN(CCCc1nc2ccccc2[nH]1)C(=O)C1=CC(=O)CS1 ZINC000732277335 574570216 /nfs/dbraw/zinc/57/02/16/574570216.db2.gz GBBQGRCERDCPGQ-UHFFFAOYSA-N 0 0 315.398 3.035 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCC(OC2CCCCC2)CC1 ZINC000732278994 574570593 /nfs/dbraw/zinc/57/05/93/574570593.db2.gz BOYQCFJDWFVKTC-UHFFFAOYSA-N 0 0 309.431 3.408 20 10 DGCDRN O=C(NCc1cc(-c2ccccc2)on1)C1=CC(=O)CS1 ZINC000732281910 574570653 /nfs/dbraw/zinc/57/06/53/574570653.db2.gz FOJHDJPMPZHOBR-UHFFFAOYSA-N 0 0 300.339 3.039 20 10 DGCDRN CC(C)c1ccccc1NC(=O)COC(=O)C1=CC(=O)CS1 ZINC000732353852 574572155 /nfs/dbraw/zinc/57/21/55/574572155.db2.gz BMUKTZWTWAFIMM-UHFFFAOYSA-N 0 0 319.382 3.373 20 10 DGCDRN COc1ccc(OCCCOC(=O)C2=CC(=O)CS2)cc1 ZINC000732354594 574572381 /nfs/dbraw/zinc/57/23/81/574572381.db2.gz WVODCCALBDHVIM-UHFFFAOYSA-N 0 0 308.355 3.088 20 10 DGCDRN CC1(C)C[C@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000732822394 574584102 /nfs/dbraw/zinc/58/41/02/574584102.db2.gz DRSRAMFIJSXXEX-HNNXBMFYSA-N 0 0 301.434 3.132 20 10 DGCDRN Cc1ncc(/C=C/C(=O)N2C[C@@H](C)Oc3ccccc32)s1 ZINC000732741027 574581171 /nfs/dbraw/zinc/58/11/71/574581171.db2.gz GVOVZYNWFFWRSF-WSKFYRRCSA-N 0 0 300.383 3.279 20 10 DGCDRN CCN(CC)c1ccc(CN[C@H](C)C(=O)OC(C)(C)C)cc1 ZINC000733334677 574616581 /nfs/dbraw/zinc/61/65/81/574616581.db2.gz PRRHQMXEWKXQJL-CQSZACIVSA-N 0 0 306.450 3.353 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cnn(CC)c2)cc1 ZINC000733915463 574643060 /nfs/dbraw/zinc/64/30/60/574643060.db2.gz NTXDFNUDNTZUJU-UHFFFAOYSA-N 0 0 314.433 3.021 20 10 DGCDRN COc1ccc(O)c(CNc2nnc(C)cc2C(F)(F)F)c1 ZINC000733994798 574645913 /nfs/dbraw/zinc/64/59/13/574645913.db2.gz PBQCPTMJEKUNTH-UHFFFAOYSA-N 0 0 313.279 3.130 20 10 DGCDRN CC[C@@H](Cc1ccccc1)C(=O)NCc1cc(OC)ccc1O ZINC000734017056 574648140 /nfs/dbraw/zinc/64/81/40/574648140.db2.gz ZBJUCRWVPDXNHG-HNNXBMFYSA-N 0 0 313.397 3.286 20 10 DGCDRN CC(C)(CNC(=O)NCc1ccccc1O)c1cccs1 ZINC000734068831 574649616 /nfs/dbraw/zinc/64/96/16/574649616.db2.gz IZHZCUWFNGFHAO-UHFFFAOYSA-N 0 0 304.415 3.231 20 10 DGCDRN CN(c1ccc(CNC(=O)C2=COCC2)cc1)C1CCCCC1 ZINC000734126441 574652710 /nfs/dbraw/zinc/65/27/10/574652710.db2.gz XJLYELCWNACION-UHFFFAOYSA-N 0 0 314.429 3.376 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(Cl)n1 ZINC000734406626 574660000 /nfs/dbraw/zinc/66/00/00/574660000.db2.gz YYLBNZPNEUUNJH-UHFFFAOYSA-N 0 0 303.793 3.039 20 10 DGCDRN Cc1cc2c[nH]nc2c(C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000734468476 574664121 /nfs/dbraw/zinc/66/41/21/574664121.db2.gz XRCDWDAHKGWTTP-UHFFFAOYSA-N 0 0 322.412 3.176 20 10 DGCDRN Cc1ccsc1CNC(=O)NCc1ccc(N(C)C)cc1C ZINC000734525238 574666588 /nfs/dbraw/zinc/66/65/88/574666588.db2.gz MYNYXQABQYKRHN-UHFFFAOYSA-N 0 0 317.458 3.430 20 10 DGCDRN O=C(N[C@H](c1ccccc1)C1CCOCC1)C1=CC(=O)CS1 ZINC000734555025 574667167 /nfs/dbraw/zinc/66/71/67/574667167.db2.gz PTDKUZKURSWEGW-MRXNPFEDSA-N 0 0 317.410 3.351 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000734942813 574683013 /nfs/dbraw/zinc/68/30/13/574683013.db2.gz QFOPJQTYXSFJMS-BXUZGUMPSA-N 0 0 318.323 3.026 20 10 DGCDRN COc1ccc(O)c(CNCc2occc2Br)c1 ZINC000735320899 574697678 /nfs/dbraw/zinc/69/76/78/574697678.db2.gz CDPXPHWBXNMDKK-UHFFFAOYSA-N 0 0 312.163 3.046 20 10 DGCDRN CN(C)c1cccc([C@H]2CCCN2C(=O)C2=CC(=O)CS2)c1 ZINC000735522777 574704494 /nfs/dbraw/zinc/70/44/94/574704494.db2.gz YKWGWMVYYNKZRQ-OAHLLOKOSA-N 0 0 316.426 3.497 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@@H]1CSc2ccccc21 ZINC000735579392 574706808 /nfs/dbraw/zinc/70/68/08/574706808.db2.gz GHJJVEPZMBPJTC-CYBMUJFWSA-N 0 0 300.383 3.038 20 10 DGCDRN CC(=O)c1ccc(NC(=S)NNc2c(F)cccc2F)cc1 ZINC000735626051 574709373 /nfs/dbraw/zinc/70/93/73/574709373.db2.gz NOXYEOIHVFAZED-UHFFFAOYSA-N 0 0 321.352 3.481 20 10 DGCDRN CC1(CN2CCCc3cc(OC(F)(F)F)ccc32)COC1 ZINC000735920615 574722121 /nfs/dbraw/zinc/72/21/21/574722121.db2.gz TWQWHEHVEIVLFO-UHFFFAOYSA-N 0 0 301.308 3.374 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)Nc2cccc(F)c2)cc1 ZINC000739922474 574915835 /nfs/dbraw/zinc/91/58/35/574915835.db2.gz LJBTZHZPORYYET-UHFFFAOYSA-N 0 0 302.349 3.299 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)NCc2ccc(C)cc2)cc1 ZINC000739922607 574915890 /nfs/dbraw/zinc/91/58/90/574915890.db2.gz NLVLSNBUYMTMSG-UHFFFAOYSA-N 0 0 312.413 3.146 20 10 DGCDRN CCN(CC)c1ccc(CN[C@H](C)c2nc(C)no2)cc1F ZINC000740004183 574917916 /nfs/dbraw/zinc/91/79/16/574917916.db2.gz HSILOQCQBHNSPF-LLVKDONJSA-N 0 0 306.385 3.214 20 10 DGCDRN O=C(NCCc1cc2ccccc2o1)NCc1ccccc1O ZINC000740480384 574934473 /nfs/dbraw/zinc/93/44/73/574934473.db2.gz UIOZPJGNSINSNQ-UHFFFAOYSA-N 0 0 310.353 3.180 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1Cc2ccccc21 ZINC000740741802 574941013 /nfs/dbraw/zinc/94/10/13/574941013.db2.gz SUZWIPVVIIWGAJ-LJQANCHMSA-N 0 0 306.409 3.243 20 10 DGCDRN CCN(C)c1ccc(Cn2c(=O)onc2-c2ccccc2)cc1 ZINC000741733416 574968064 /nfs/dbraw/zinc/96/80/64/574968064.db2.gz IWEKYAITNUYVLZ-UHFFFAOYSA-N 0 0 309.369 3.008 20 10 DGCDRN COc1ccc(C(=O)NCCCSc2nccs2)c(C)c1 ZINC000742074035 574980551 /nfs/dbraw/zinc/98/05/51/574980551.db2.gz ODTGHABLBZIUKQ-UHFFFAOYSA-N 0 0 322.455 3.372 20 10 DGCDRN O=C(NCc1ccccc1O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000743326682 575043324 /nfs/dbraw/zinc/04/33/24/575043324.db2.gz GRZNAFCRFJMDDT-FXAWDEMLSA-N 0 0 307.393 3.303 20 10 DGCDRN O=C([C@@H]1CCCS1)N(Cc1ccco1)Cc1ccccc1O ZINC000743428668 575050877 /nfs/dbraw/zinc/05/08/77/575050877.db2.gz GZVUCZIBCRXSKN-INIZCTEOSA-N 0 0 317.410 3.410 20 10 DGCDRN COC(=O)[C@H](NCc1ccc(OC)c(C)c1)c1ccccc1F ZINC000743475764 575053683 /nfs/dbraw/zinc/05/36/83/575053683.db2.gz YAAZCMHJBRCMHY-QGZVFWFLSA-N 0 0 317.360 3.147 20 10 DGCDRN C[C@H]1CN(C(=O)C2=CC(=O)CS2)C[C@H](c2ccc(F)cc2)O1 ZINC000743637683 575059728 /nfs/dbraw/zinc/05/97/28/575059728.db2.gz LYELGQOZFWEHFK-IINYFYTJSA-N 0 0 321.373 3.195 20 10 DGCDRN C[C@@H]1CN(C(=O)C2=CC(=O)CS2)C[C@H](c2ccc(F)cc2)O1 ZINC000743637685 575059731 /nfs/dbraw/zinc/05/97/31/575059731.db2.gz LYELGQOZFWEHFK-QMTHXVAHSA-N 0 0 321.373 3.195 20 10 DGCDRN C[C@@H](CNC(=O)NCc1ccccc1O)Cc1cccs1 ZINC000743643634 575060202 /nfs/dbraw/zinc/06/02/02/575060202.db2.gz IPNKXYONISBCRP-GFCCVEGCSA-N 0 0 304.415 3.132 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1[nH]nc2ccccc21 ZINC000743718499 575062079 /nfs/dbraw/zinc/06/20/79/575062079.db2.gz DRCFPRQMWCQEFD-UHFFFAOYSA-N 0 0 321.380 3.077 20 10 DGCDRN Cc1cccc(C(=O)NCc2c(O)ccc3c2CCCC3)c1O ZINC000743718571 575062127 /nfs/dbraw/zinc/06/21/27/575062127.db2.gz GHULVGZSINIKDI-UHFFFAOYSA-N 0 0 311.381 3.215 20 10 DGCDRN COc1ccc(-n2c(C)cc(C(=O)NCCSC)c2C)cc1 ZINC000743991333 575068503 /nfs/dbraw/zinc/06/85/03/575068503.db2.gz YUWHQANKTSGRPF-UHFFFAOYSA-N 0 0 318.442 3.196 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cccc(F)c2F)c1 ZINC000728979526 575199116 /nfs/dbraw/zinc/19/91/16/575199116.db2.gz XWSWLORAGYHECL-VIFPVBQESA-N 0 0 307.296 3.170 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cnc(C3CC3)s2)cc1 ZINC000729303278 575233002 /nfs/dbraw/zinc/23/30/02/575233002.db2.gz KATKGWXACZJQMU-UHFFFAOYSA-N 0 0 301.415 3.017 20 10 DGCDRN COc1ccc(N(Cc2ccco2)CC2(C)COC2)cc1F ZINC000744403952 575339958 /nfs/dbraw/zinc/33/99/58/575339958.db2.gz BSVDNIGJWMLFKY-UHFFFAOYSA-N 0 0 305.349 3.470 20 10 DGCDRN Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)O3)c(C)n1-c1cccc(C)c1 ZINC000744629071 575350757 /nfs/dbraw/zinc/35/07/57/575350757.db2.gz CKBDXOVFSONYSE-HDICACEKSA-N 0 0 324.424 3.406 20 10 DGCDRN COc1cccc(CNC(=O)N[C@@H](C)c2ccc(C)s2)c1O ZINC000745738943 575414835 /nfs/dbraw/zinc/41/48/35/575414835.db2.gz XCVUGZFUFCFKSY-NSHDSACASA-N 0 0 320.414 3.331 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)NC[C@H]1CC=CCC1 ZINC000745780284 575417342 /nfs/dbraw/zinc/41/73/42/575417342.db2.gz GYZJFOKJGXVLKN-AWEZNQCLSA-N 0 0 314.429 3.427 20 10 DGCDRN Cc1ccc(CC[C@H](C)NC(=O)N(C)Cc2ccccc2O)o1 ZINC000745884256 575420813 /nfs/dbraw/zinc/42/08/13/575420813.db2.gz ZGSWHMNRRLEKBT-ZDUSSCGKSA-N 0 0 316.401 3.456 20 10 DGCDRN CCN(CC(=O)N(C)Cc1ccccc1)c1ccc(OC)cc1 ZINC000746108773 575433197 /nfs/dbraw/zinc/43/31/97/575433197.db2.gz BMFNESGDXLYGPN-UHFFFAOYSA-N 0 0 312.413 3.180 20 10 DGCDRN CCOc1ccc(N(CC)CC(=O)N2CCCCCC2)cc1 ZINC000746159500 575437040 /nfs/dbraw/zinc/43/70/40/575437040.db2.gz UPHBNRFGAWCYSC-UHFFFAOYSA-N 0 0 304.434 3.314 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)CCO)c(C)n1-c1cc(C)cc(C)c1 ZINC000746227756 575440984 /nfs/dbraw/zinc/44/09/84/575440984.db2.gz UZSLOOYXAICTEB-AWEZNQCLSA-N 0 0 314.429 3.212 20 10 DGCDRN CCN(CC)C(=O)c1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000746297357 575444816 /nfs/dbraw/zinc/44/48/16/575444816.db2.gz VQLRLGQOTNGDEG-UHFFFAOYSA-N 0 0 318.398 3.188 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N(C)c1cn[nH]c1 ZINC000746445841 575453370 /nfs/dbraw/zinc/45/33/70/575453370.db2.gz DECDPEGTGGSTTI-UHFFFAOYSA-N 0 0 308.385 3.402 20 10 DGCDRN Cc1ccc(CCC(=O)NCc2c(O)ccc3c2CCCC3)o1 ZINC000746692521 575470492 /nfs/dbraw/zinc/47/04/92/575470492.db2.gz UYITXHJRULQLSC-UHFFFAOYSA-N 0 0 313.397 3.421 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H](C)CC1(C)C ZINC000746767696 575473993 /nfs/dbraw/zinc/47/39/93/575473993.db2.gz ZLXHMGGZBAWYIY-ZDUSSCGKSA-N 0 0 303.450 3.391 20 10 DGCDRN CCc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000746798191 575475200 /nfs/dbraw/zinc/47/52/00/575475200.db2.gz NFQLDUDQBCDLEB-UHFFFAOYSA-N 0 0 300.377 3.384 20 10 DGCDRN CN(C)c1ccc(CNC(=O)/C=C/c2cccc(F)c2)cc1F ZINC000746798329 575475448 /nfs/dbraw/zinc/47/54/48/575475448.db2.gz UKRKXOMLODZIPS-VQHVLOKHSA-N 0 0 316.351 3.360 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1F ZINC000746798374 575476017 /nfs/dbraw/zinc/47/60/17/575476017.db2.gz WJDWWDHRNGXVRL-UHFFFAOYSA-N 0 0 320.795 3.404 20 10 DGCDRN CC1=C(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CCC1 ZINC000746821048 575477093 /nfs/dbraw/zinc/47/70/93/575477093.db2.gz LYOJOOXVNKNYCD-HNNXBMFYSA-N 0 0 314.429 3.201 20 10 DGCDRN C[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000746975354 575486984 /nfs/dbraw/zinc/48/69/84/575486984.db2.gz FBQISTIQECYYNJ-ZDUSSCGKSA-N 0 0 307.413 3.223 20 10 DGCDRN CCC(CC)[C@H](CCNC(=O)N(C)Cc1ccccc1O)OC ZINC000747455687 575518573 /nfs/dbraw/zinc/51/85/73/575518573.db2.gz HPUNMLQEZGZCAO-KRWDZBQOSA-N 0 0 322.449 3.375 20 10 DGCDRN CCN(C[C@H](O)COc1ccccc1F)c1ccc(OC)cc1 ZINC000747681643 575532141 /nfs/dbraw/zinc/53/21/41/575532141.db2.gz DWZOKOBDOXRAIA-HNNXBMFYSA-N 0 0 319.376 3.101 20 10 DGCDRN CCN(C[C@H](O)COc1cccc(C)c1)c1ccc(OC)cc1 ZINC000747681542 575532268 /nfs/dbraw/zinc/53/22/68/575532268.db2.gz AXZSCWCMNGBBTA-KRWDZBQOSA-N 0 0 315.413 3.270 20 10 DGCDRN CC[C@](C)(NCc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000747814114 575542898 /nfs/dbraw/zinc/54/28/98/575542898.db2.gz PRAVFYAAHIAAMU-HNNXBMFYSA-N 0 0 316.367 3.344 20 10 DGCDRN COc1ccc(N(Cc2nc([C@H](C)OC)no2)CC(C)C)cc1 ZINC000747840889 575545521 /nfs/dbraw/zinc/54/55/21/575545521.db2.gz ZVUOLHXRSXARJR-ZDUSSCGKSA-N 0 0 319.405 3.448 20 10 DGCDRN Cc1cc(C(=O)CSCCO)c(C)n1-c1ccc(F)cc1 ZINC000747836800 575545809 /nfs/dbraw/zinc/54/58/09/575545809.db2.gz MCDJIRIPQFCNLS-UHFFFAOYSA-N 0 0 307.390 3.141 20 10 DGCDRN Cc1ccc2c(c1)N(C(=O)/C=C\c1cncc(F)c1)C[C@H](C)O2 ZINC000747896789 575550046 /nfs/dbraw/zinc/55/00/46/575550046.db2.gz XUELAJUPZIJLQM-AGLBCWCQSA-N 0 0 312.344 3.356 20 10 DGCDRN CN1CCCc2cc(/C=C3/N=C(c4ccsc4)OC3=O)ccc21 ZINC000748044869 575558307 /nfs/dbraw/zinc/55/83/07/575558307.db2.gz NDFMDNNITRZECB-XNTDXEJSSA-N 0 0 324.405 3.475 20 10 DGCDRN O=C(NCc1ccccc1O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000748345385 575581402 /nfs/dbraw/zinc/58/14/02/575581402.db2.gz BEXUKTVUWBREDF-LSDHHAIUSA-N 0 0 301.773 3.466 20 10 DGCDRN O=C(Cc1ccc(-n2cccc2)cc1)NCc1ccccc1O ZINC000748345294 575581442 /nfs/dbraw/zinc/58/14/42/575581442.db2.gz DHERYKUIEFMZBX-UHFFFAOYSA-N 0 0 306.365 3.042 20 10 DGCDRN C[C@H](NC(=O)NCc1ccccc1O)c1c(F)cccc1F ZINC000748460319 575587966 /nfs/dbraw/zinc/58/79/66/575587966.db2.gz NXUDPUNMILQBIP-JTQLQIEISA-N 0 0 306.312 3.231 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@@H](c1ccccc1)C(F)(F)F ZINC000748458665 575588143 /nfs/dbraw/zinc/58/81/43/575588143.db2.gz AHZXKRQQUBSJJD-AWEZNQCLSA-N 0 0 324.302 3.495 20 10 DGCDRN c1cnc2nc(NCc3ccc(N4CCCCC4)cc3)ccc2n1 ZINC000748794711 575607206 /nfs/dbraw/zinc/60/72/06/575607206.db2.gz IGCDLDSBPJZXMY-UHFFFAOYSA-N 0 0 319.412 3.001 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2cnc3ccccc3c2C)c1 ZINC000748850935 575611628 /nfs/dbraw/zinc/61/16/28/575611628.db2.gz ASWIZYUIPIWGTF-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@H]2CCC(C)(C)C[C@H]2C)c1 ZINC000748972330 575619300 /nfs/dbraw/zinc/61/93/00/575619300.db2.gz PUZVEYROGVOSFL-DOMZBBRYSA-N 0 0 320.433 3.415 20 10 DGCDRN C[C@H](C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccncc1 ZINC000749294431 575643178 /nfs/dbraw/zinc/64/31/78/575643178.db2.gz GXEJFEZNBCSYQB-SNVBAGLBSA-N 0 0 321.764 3.242 20 10 DGCDRN C[C@@H](Cc1ccncc1)[NH2+]Cc1cccc(Br)c1[O-] ZINC000749294196 575643300 /nfs/dbraw/zinc/64/33/00/575643300.db2.gz FZSPKWPLZSJWNK-NSHDSACASA-N 0 0 321.218 3.271 20 10 DGCDRN Cc1cc(C(=O)Nc2cc(Cl)[nH]n2)c(C)n1-c1ccccn1 ZINC000749553833 575664576 /nfs/dbraw/zinc/66/45/76/575664576.db2.gz SODHULQGTVHWBU-UHFFFAOYSA-N 0 0 315.764 3.118 20 10 DGCDRN CC[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@H](C)O1 ZINC000750045476 575699949 /nfs/dbraw/zinc/69/99/49/575699949.db2.gz RKIUDVUBDGTSPN-IINYFYTJSA-N 0 0 311.809 3.248 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCCC1(C)C ZINC000750298000 575717455 /nfs/dbraw/zinc/71/74/55/575717455.db2.gz VGVVGZUXJCLMSO-INIZCTEOSA-N 0 0 303.450 3.439 20 10 DGCDRN Cc1cc(C(=O)O[C@H](C)c2cnccn2)c(C)n1-c1ccccn1 ZINC000751159022 575772936 /nfs/dbraw/zinc/77/29/36/575772936.db2.gz RUPGNFIJNAAHDA-CQSZACIVSA-N 0 0 322.368 3.197 20 10 DGCDRN CCC1(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CCC1 ZINC000751246392 575777097 /nfs/dbraw/zinc/77/70/97/575777097.db2.gz OZOYPSOHIVIMOG-OAHLLOKOSA-N 0 0 316.445 3.281 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1ccoc1 ZINC000751301477 575778675 /nfs/dbraw/zinc/77/86/75/575778675.db2.gz DTUUABWINRRQLS-UHFFFAOYSA-N 0 0 304.309 3.242 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C)[C@H]2C)cc1 ZINC000752004359 575817540 /nfs/dbraw/zinc/81/75/40/575817540.db2.gz GGCJCDVSXGISNH-LSDHHAIUSA-N 0 0 303.450 3.473 20 10 DGCDRN Cc1ccc(N(C)C(=O)c2cn(C)nc2-c2cccnc2)cc1 ZINC000725740742 575904309 /nfs/dbraw/zinc/90/43/09/575904309.db2.gz MMQXLXDSEZKHEP-UHFFFAOYSA-N 0 0 306.369 3.067 20 10 DGCDRN CC[C@H](Nc1ccccc1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000726374262 576019493 /nfs/dbraw/zinc/01/94/93/576019493.db2.gz CRBAKHJHZJPXSB-SFHVURJKSA-N 0 0 311.429 3.260 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2csc(C(C)(C)C)n2)cc1 ZINC000726498907 576028298 /nfs/dbraw/zinc/02/82/98/576028298.db2.gz TZZVYYUEISUNNX-UHFFFAOYSA-N 0 0 317.458 3.437 20 10 DGCDRN CCOC(=O)CCCN1CCCc2cc(OC(F)F)ccc21 ZINC000726597375 576032531 /nfs/dbraw/zinc/03/25/31/576032531.db2.gz KCJVUINRGVOWMJ-UHFFFAOYSA-N 0 0 313.344 3.384 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)C2(C)CCOCC2)C2CC2)cc1 ZINC000726751363 576039719 /nfs/dbraw/zinc/03/97/19/576039719.db2.gz KKNWAMMYSLBSBX-UHFFFAOYSA-N 0 0 316.445 3.060 20 10 DGCDRN COc1ccccc1/C(C)=C/C(=O)NCc1ccc(N(C)C)cc1 ZINC000727295835 576118430 /nfs/dbraw/zinc/11/84/30/576118430.db2.gz AJISGLLJISSIFI-FYWRMAATSA-N 0 0 324.424 3.481 20 10 DGCDRN COCC(C)(C)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000727403220 576123868 /nfs/dbraw/zinc/12/38/68/576123868.db2.gz IDFVMLRRQNWRTI-UHFFFAOYSA-N 0 0 318.392 3.388 20 10 DGCDRN CCCN(Cc1cn(-c2ccccc2)nn1)Cc1ccccc1O ZINC000727830961 576148452 /nfs/dbraw/zinc/14/84/52/576148452.db2.gz YFYDHGJMKJSJQE-UHFFFAOYSA-N 0 0 322.412 3.385 20 10 DGCDRN Cc1c(NNC(=S)Nc2ccccc2F)cccc1[N+](=O)[O-] ZINC000727981182 576157652 /nfs/dbraw/zinc/15/76/52/576157652.db2.gz FGQQSMBSEGEMIP-UHFFFAOYSA-N 0 0 320.349 3.356 20 10 DGCDRN CCN(Cc1cn2ccccc2n1)c1ccc(OC)c(OC)c1 ZINC000728172354 576166129 /nfs/dbraw/zinc/16/61/29/576166129.db2.gz FUNNLSMELMLJSM-UHFFFAOYSA-N 0 0 311.385 3.378 20 10 DGCDRN O=C(NCc1c(O)cccc1F)NC1CC(c2ccccc2)C1 ZINC000916609839 620638859 /nfs/dbraw/zinc/63/88/59/620638859.db2.gz VDCCICHHKLVCAV-UHFFFAOYSA-N 0 0 314.360 3.277 20 10 DGCDRN CC[C@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)c1ccccc1 ZINC000916617641 620639517 /nfs/dbraw/zinc/63/95/17/620639517.db2.gz QXOODBUNMKFCBR-AWEZNQCLSA-N 0 0 314.337 3.018 20 10 DGCDRN CC[C@H](NC(=O)NCc1c(O)cccc1F)c1nc(C)cs1 ZINC000917023480 620652479 /nfs/dbraw/zinc/65/24/79/620652479.db2.gz FPQXKTYSBDKVAQ-LBPRGKRZSA-N 0 0 323.393 3.247 20 10 DGCDRN Oc1cc2c(cc1CN1CCCc3c(F)cc(F)cc31)OCO2 ZINC000917472013 620670820 /nfs/dbraw/zinc/67/08/20/620670820.db2.gz MMKROELVQWSDNZ-UHFFFAOYSA-N 0 0 319.307 3.352 20 10 DGCDRN CCOc1cccc(C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1O ZINC000390164246 604682011 /nfs/dbraw/zinc/68/20/11/604682011.db2.gz MRBZBIBDCOYGPO-SNPRPXQTSA-N 0 0 319.401 3.009 20 10 DGCDRN Cc1cc(C(=O)O[C@@H](C)c2nc[nH]n2)c(C)n1-c1ccccc1C ZINC000853222845 620679227 /nfs/dbraw/zinc/67/92/27/620679227.db2.gz RNTCLVKGQKCNDX-AWEZNQCLSA-N 0 0 324.384 3.439 20 10 DGCDRN COC(=O)c1cnc(SCc2nc(C(C)C)ns2)s1 ZINC000917779071 620683923 /nfs/dbraw/zinc/68/39/23/620683923.db2.gz XGBHVJWUEDKRSQ-UHFFFAOYSA-N 0 0 315.445 3.197 20 10 DGCDRN CCCN(Cc1ccccc1O)c1ncc(C(=O)OCC)s1 ZINC000853450883 620696118 /nfs/dbraw/zinc/69/61/18/620696118.db2.gz PVHVBRKHTQPWKE-UHFFFAOYSA-N 0 0 320.414 3.442 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1cc(C(C)(C)C)ncn1 ZINC000853472855 620698698 /nfs/dbraw/zinc/69/86/98/620698698.db2.gz FEAXZGNRCMPCSV-LLVKDONJSA-N 0 0 301.390 3.228 20 10 DGCDRN CCOC(=O)c1cnc(SCc2ccc3c(c2)OCO3)s1 ZINC000853564186 620710211 /nfs/dbraw/zinc/71/02/11/620710211.db2.gz LPUDEETVQCOVSJ-UHFFFAOYSA-N 0 0 323.395 3.341 20 10 DGCDRN Oc1cc2c(cc1CN1CCO[C@H](CC(F)(F)F)C1)CCC2 ZINC000853611477 620716279 /nfs/dbraw/zinc/71/62/79/620716279.db2.gz OHBUIEPLAGWVFX-CQSZACIVSA-N 0 0 315.335 3.034 20 10 DGCDRN Cc1cc(C(=O)NCc2nnc(C)o2)c(C)n1-c1cccc(C)c1 ZINC000918629887 620717221 /nfs/dbraw/zinc/71/72/21/620717221.db2.gz YTYFGNZXOJFYIG-UHFFFAOYSA-N 0 0 324.384 3.024 20 10 DGCDRN Cc1cn(CC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)nn1 ZINC000853718854 620728725 /nfs/dbraw/zinc/72/87/25/620728725.db2.gz FPHFPRDBBHQDRX-UHFFFAOYSA-N 0 0 308.385 3.185 20 10 DGCDRN COc1ccc(N2CC[C@H](Nc3sccc3[N+](=O)[O-])C2)cc1 ZINC000853758394 620734279 /nfs/dbraw/zinc/73/42/79/620734279.db2.gz DWQQXRCKWHNOLI-NSHDSACASA-N 0 0 319.386 3.356 20 10 DGCDRN COc1ccc(N2CC[C@H](Nc3ncc4c(n3)CCCC4)C2)cc1 ZINC000853760361 620735078 /nfs/dbraw/zinc/73/50/78/620735078.db2.gz JZZHSFBEUDHFGC-HNNXBMFYSA-N 0 0 324.428 3.055 20 10 DGCDRN CCc1nc(C)cc(N[C@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000853760614 620735080 /nfs/dbraw/zinc/73/50/80/620735080.db2.gz LHMKLHNWKHWXEY-AWEZNQCLSA-N 0 0 312.417 3.047 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@H]1CCCc2cccnc21 ZINC000890759758 617656423 /nfs/dbraw/zinc/65/64/23/617656423.db2.gz QMEQLOJUCZEYNZ-ZDUSSCGKSA-N 0 0 316.788 3.177 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@H]1CC12CCSCC2 ZINC000890760861 617657130 /nfs/dbraw/zinc/65/71/30/617657130.db2.gz BOHBTRLDCHQJDG-LLVKDONJSA-N 0 0 311.834 3.195 20 10 DGCDRN Cc1nn(C(C)C)cc1C(=O)NCc1cccc(Cl)c1O ZINC000890760907 617657150 /nfs/dbraw/zinc/65/71/50/617657150.db2.gz DIPCDPOXJBGRMH-UHFFFAOYSA-N 0 0 307.781 3.061 20 10 DGCDRN Cc1c(C(=O)NCc2cccc(Cl)c2O)cnn1C(C)C ZINC000890760604 617657178 /nfs/dbraw/zinc/65/71/78/617657178.db2.gz VERWKUZPOOZGEN-UHFFFAOYSA-N 0 0 307.781 3.061 20 10 DGCDRN C[C@@H]1CCC[C@H](OCC(=O)NCc2cccc(Cl)c2O)C1 ZINC000890760554 617657226 /nfs/dbraw/zinc/65/72/26/617657226.db2.gz SXMJHTNPLMYZPH-YPMHNXCESA-N 0 0 311.809 3.257 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@@]12CCO[C@H]1CCCC2 ZINC000890763493 617659098 /nfs/dbraw/zinc/65/90/98/617659098.db2.gz XABPBDKSVXTGGK-BBRMVZONSA-N 0 0 309.793 3.011 20 10 DGCDRN C[C@H](C(=O)NCc1cc(Br)ccc1O)c1ccco1 ZINC000804737536 617662014 /nfs/dbraw/zinc/66/20/14/617662014.db2.gz KORMJYUKPUKWJQ-VIFPVBQESA-N 0 0 324.174 3.168 20 10 DGCDRN CC(C)C(C)(C)C(=O)NCc1cc(Br)ccc1O ZINC000804739604 617662455 /nfs/dbraw/zinc/66/24/55/617662455.db2.gz LKGQFTHTFYRKKN-UHFFFAOYSA-N 0 0 314.223 3.453 20 10 DGCDRN O=C(/C=C\c1ccco1)NCc1cc(Br)ccc1O ZINC000804739178 617662636 /nfs/dbraw/zinc/66/26/36/617662636.db2.gz UFJJEPBFLHVFEJ-XQRVVYSFSA-N 0 0 322.158 3.077 20 10 DGCDRN FC(F)Oc1nccnc1NCCCSc1nccs1 ZINC000807973615 617734185 /nfs/dbraw/zinc/73/41/85/617734185.db2.gz GVIAAQNMPWWOGP-UHFFFAOYSA-N 0 0 318.374 3.129 20 10 DGCDRN OC1CCN(c2ccc(CNc3ncc(Cl)s3)cc2)CC1 ZINC000853955485 620756903 /nfs/dbraw/zinc/75/69/03/620756903.db2.gz PEDVAZOAFSNXRD-UHFFFAOYSA-N 0 0 323.849 3.370 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CCSC(C)(C)C2)cc1 ZINC000891606695 617850242 /nfs/dbraw/zinc/85/02/42/617850242.db2.gz KIKANEAJDCOSJF-CQSZACIVSA-N 0 0 321.490 3.226 20 10 DGCDRN CCc1nc(CN(C)Cc2ccc(OC)c(OC)c2O)cs1 ZINC000891813787 617904918 /nfs/dbraw/zinc/90/49/18/617904918.db2.gz FJNAYLOSBBUEAV-UHFFFAOYSA-N 0 0 322.430 3.060 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccoc1C ZINC000919782415 620765579 /nfs/dbraw/zinc/76/55/79/620765579.db2.gz WHCMDTDLVIDFNT-UHFFFAOYSA-N 0 0 315.417 3.386 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000892004339 617943197 /nfs/dbraw/zinc/94/31/97/617943197.db2.gz HTUXEPJANKFWRL-KBAYOESNSA-N 0 0 313.445 3.275 20 10 DGCDRN CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000840540683 618001157 /nfs/dbraw/zinc/00/11/57/618001157.db2.gz WFUOMFFEKXQOMA-CWCIKPCXSA-N 0 0 303.402 3.442 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2c[nH]c3ncccc23)cc1 ZINC000919846080 620768850 /nfs/dbraw/zinc/76/88/50/620768850.db2.gz HBVLAGSRGRXSCL-UHFFFAOYSA-N 0 0 322.412 3.339 20 10 DGCDRN CC[C@@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(F)cc1[O-] ZINC000840886936 618131775 /nfs/dbraw/zinc/13/17/75/618131775.db2.gz OJTCTNQNZGEGNQ-BZPMIXESSA-N 0 0 303.324 3.121 20 10 DGCDRN C[C@@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000920053410 620779958 /nfs/dbraw/zinc/77/99/58/620779958.db2.gz FWJLMTSNDZBXLP-AWEZNQCLSA-N 0 0 301.434 3.132 20 10 DGCDRN CCCC[C@@](C)(F)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000854199279 620782179 /nfs/dbraw/zinc/78/21/79/620782179.db2.gz ZIYRTBCBJNOENF-GOSISDBHSA-N 0 0 322.424 3.262 20 10 DGCDRN C[NH2+]C[C@@H](C)N[C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000854232449 620787087 /nfs/dbraw/zinc/78/70/87/620787087.db2.gz QDEZLMZXQQHKJK-SFYZADRCSA-N 0 0 321.646 3.067 20 10 DGCDRN C[C@H]1CCCC[C@H]1CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000920232376 620790457 /nfs/dbraw/zinc/79/04/57/620790457.db2.gz QAHMDRZPPPVPNH-HOCLYGCPSA-N 0 0 303.450 3.378 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)NC(C)(C)C(C)C)C2)cc1 ZINC000854295753 620792126 /nfs/dbraw/zinc/79/21/26/620792126.db2.gz BBXCIFOLSQLWFY-AWEZNQCLSA-N 0 0 319.449 3.008 20 10 DGCDRN FC(F)(F)c1nc(CNCc2ccc3c(c2)CCO3)cs1 ZINC000892794844 618312673 /nfs/dbraw/zinc/31/26/73/618312673.db2.gz XMOSDKCZQCZPSC-UHFFFAOYSA-N 0 0 314.332 3.387 20 10 DGCDRN Cc1csc([C@@H](C)C(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000854325141 620795605 /nfs/dbraw/zinc/79/56/05/620795605.db2.gz ZNHQBLBGRYRHMS-CYBMUJFWSA-N 0 0 317.458 3.280 20 10 DGCDRN CO[C@H](C)CN(C)C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000854445112 620804605 /nfs/dbraw/zinc/80/46/05/620804605.db2.gz MCFQNWZLTZSVIJ-OAHLLOKOSA-N 0 0 314.429 3.130 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000894862852 618482579 /nfs/dbraw/zinc/48/25/79/618482579.db2.gz IYYYQWODHPMBMB-MRXNPFEDSA-N 0 0 309.356 3.061 20 10 DGCDRN CC[C@@H]([NH2+][C@H](CCO)COC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775510296 618501789 /nfs/dbraw/zinc/50/17/89/618501789.db2.gz ZWPJNKAMTVIWJL-BXKDBHETSA-N 0 0 322.232 3.137 20 10 DGCDRN CC/C=C(\F)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000866900148 618530522 /nfs/dbraw/zinc/53/05/22/618530522.db2.gz UFYZFFHZITXQQI-IJENKCAZSA-N 0 0 307.365 3.163 20 10 DGCDRN Clc1cnc(NCc2ccc(N3CCOCC3)cc2)s1 ZINC000776724166 618531540 /nfs/dbraw/zinc/53/15/40/618531540.db2.gz ZBLJYHGPXKNFDS-UHFFFAOYSA-N 0 0 309.822 3.245 20 10 DGCDRN COc1ccc2c(c1)CCCN2[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000893451598 618560244 /nfs/dbraw/zinc/56/02/44/618560244.db2.gz RVIGZLQHYMFALY-WBVHZDCISA-N 0 0 321.392 3.082 20 10 DGCDRN COc1ccc(CN2CC3(CC3)c3ccccc32)c(O)c1OC ZINC000893461156 618563523 /nfs/dbraw/zinc/56/35/23/618563523.db2.gz LRNFXFOWFFRWTE-UHFFFAOYSA-N 0 0 311.381 3.461 20 10 DGCDRN COCCOc1ccc(CN(C)c2ccc(OC)c(F)c2)o1 ZINC000893464731 618564235 /nfs/dbraw/zinc/56/42/35/618564235.db2.gz MALAGTOALHGIRJ-UHFFFAOYSA-N 0 0 309.337 3.089 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000895326991 618595506 /nfs/dbraw/zinc/59/55/06/618595506.db2.gz KEJNBFQDHPLODY-RKDXNWHRSA-N 0 0 300.171 3.136 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000895350744 618600659 /nfs/dbraw/zinc/60/06/59/618600659.db2.gz GYUIKRNBEABBMZ-CALCHBBNSA-N 0 0 309.356 3.063 20 10 DGCDRN COCC1CC(OC(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000893634812 618623914 /nfs/dbraw/zinc/62/39/14/618623914.db2.gz XKIDCGJJZHLZLE-UHFFFAOYSA-N 0 0 314.385 3.071 20 10 DGCDRN O=C(NCCCSc1nccs1)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000893646234 618629698 /nfs/dbraw/zinc/62/96/98/618629698.db2.gz QVHAVGQFJNLZAB-SDDRHHMPSA-N 0 0 311.476 3.113 20 10 DGCDRN CO[C@@](C)([C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000840961024 618639394 /nfs/dbraw/zinc/63/93/94/618639394.db2.gz PKBJIANFXWJULI-PSLIRLAXSA-N 0 0 301.789 3.478 20 10 DGCDRN COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2cccc(F)c2[O-])c1 ZINC000840973566 618648993 /nfs/dbraw/zinc/64/89/93/618648993.db2.gz QEPHYYJZHMHKLV-HOCLYGCPSA-N 0 0 301.361 3.433 20 10 DGCDRN COc1ccc(C[N@H+](C)Cc2cc(F)cc(F)c2[O-])cc1OC ZINC000893897974 618671503 /nfs/dbraw/zinc/67/15/03/618671503.db2.gz SQOUSCSEPFASGX-UHFFFAOYSA-N 0 0 323.339 3.320 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)C(F)F)ccc21 ZINC000894049389 618699487 /nfs/dbraw/zinc/69/94/87/618699487.db2.gz IMJIJRQLCCMTLC-NSHDSACASA-N 0 0 324.371 3.288 20 10 DGCDRN C[C@H](NC(=O)NC[C@@H]1CC(C)(C)OC1(C)C)c1ccccc1O ZINC000927632914 618710310 /nfs/dbraw/zinc/71/03/10/618710310.db2.gz PIWQPOSYQRBAJX-STQMWFEESA-N 0 0 320.433 3.346 20 10 DGCDRN COc1cc(C)cc(CNc2cccc(C[S@](C)=O)c2)c1O ZINC000894130131 618716874 /nfs/dbraw/zinc/71/68/74/618716874.db2.gz AESCCFVUGWAPNX-QFIPXVFZSA-N 0 0 319.426 3.200 20 10 DGCDRN COc1cc(C)cc(CNc2ccnn2[C@@H](C)C2CC2)c1O ZINC000894219764 618732731 /nfs/dbraw/zinc/73/27/31/618732731.db2.gz GLJNNGHCZDEXNM-LBPRGKRZSA-N 0 0 301.390 3.489 20 10 DGCDRN COc1cc(C)cc(CNCc2nnc(C(C)(C)C)s2)c1O ZINC000894333399 618765967 /nfs/dbraw/zinc/76/59/67/618765967.db2.gz WKWGBKYTGGHBJR-UHFFFAOYSA-N 0 0 321.446 3.148 20 10 DGCDRN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)Nc1ccc(N)cc1 ZINC000841295542 618776019 /nfs/dbraw/zinc/77/60/19/618776019.db2.gz AZMLWKHLTHKJME-NSHDSACASA-N 0 0 315.421 3.411 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000895391988 618778045 /nfs/dbraw/zinc/77/80/45/618778045.db2.gz IVDIPFVNSHMUPB-SFHVURJKSA-N 0 0 319.351 3.154 20 10 DGCDRN Cc1nc2c(s1)[C@H](NC(=O)Nc1ccc(N)cc1)CCC2 ZINC000841296178 618779254 /nfs/dbraw/zinc/77/92/54/618779254.db2.gz PYVPNRZFNYZQIA-CYBMUJFWSA-N 0 0 302.403 3.233 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@H](O)C[C@@H]1c1ccccc1 ZINC000895422797 618783507 /nfs/dbraw/zinc/78/35/07/618783507.db2.gz OITWFUTZIWQABA-DOTOQJQBSA-N 0 0 319.351 3.368 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@@H](O)C[C@@H]1c1ccccc1 ZINC000895422798 618783674 /nfs/dbraw/zinc/78/36/74/618783674.db2.gz OITWFUTZIWQABA-NVXWUHKLSA-N 0 0 319.351 3.368 20 10 DGCDRN Cc1cnc(F)cc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000895711303 618821209 /nfs/dbraw/zinc/82/12/09/618821209.db2.gz MYADMWLYHKLBNV-UHFFFAOYSA-N 0 0 313.376 3.059 20 10 DGCDRN CN(C)c1ccc([S@](C)(=O)=NCc2cc(F)ccc2O)cc1 ZINC000895735080 618825997 /nfs/dbraw/zinc/82/59/97/618825997.db2.gz SODKQNYYORWTSG-QFIPXVFZSA-N 0 0 322.405 3.254 20 10 DGCDRN Clc1cncc(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000895887092 618845437 /nfs/dbraw/zinc/84/54/37/618845437.db2.gz YIXPORQUHZMHCB-UHFFFAOYSA-N 0 0 303.793 3.184 20 10 DGCDRN CSCC[C@@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896460695 618916416 /nfs/dbraw/zinc/91/64/16/618916416.db2.gz XILXUJUIXKOWPE-MRVPVSSYSA-N 0 0 311.428 3.184 20 10 DGCDRN Cn1ccc([C@H]2CCC[N@H+](Cc3cc(Cl)c(F)cc3[O-])C2)n1 ZINC000896490738 618918225 /nfs/dbraw/zinc/91/82/25/618918225.db2.gz WLPVMCMQTYUTRI-NSHDSACASA-N 0 0 323.799 3.298 20 10 DGCDRN Cn1ccc([C@@H]2CCC[N@H+](Cc3cc(Cl)c(F)cc3[O-])C2)n1 ZINC000896490735 618918284 /nfs/dbraw/zinc/91/82/84/618918284.db2.gz WLPVMCMQTYUTRI-LLVKDONJSA-N 0 0 323.799 3.298 20 10 DGCDRN Cc1cc(O)c(C[N@H+]2CCC[C@H](c3ccn(C)n3)C2)c(Cl)c1 ZINC000896490921 618918428 /nfs/dbraw/zinc/91/84/28/618918428.db2.gz XQRUVJDVCBDYIM-ZDUSSCGKSA-N 0 0 319.836 3.467 20 10 DGCDRN CCOc1cc(C[NH2+]Cc2c([O-])cccc2F)c(F)cc1OC ZINC000896644563 618938420 /nfs/dbraw/zinc/93/84/20/618938420.db2.gz XLARVCQNIQXJJC-UHFFFAOYSA-N 0 0 323.339 3.368 20 10 DGCDRN CC(C)N(C)c1ccc(C[NH2+]Cc2c([O-])cccc2F)cn1 ZINC000896638787 618939741 /nfs/dbraw/zinc/93/97/41/618939741.db2.gz XCRKITBVMGCBAN-UHFFFAOYSA-N 0 0 303.381 3.061 20 10 DGCDRN [O-]c1cccc(F)c1C[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000896639907 618939899 /nfs/dbraw/zinc/93/98/99/618939899.db2.gz ZEYQCMVGAILXKS-AWEZNQCLSA-N 0 0 300.377 3.147 20 10 DGCDRN CCOC1CC(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000788967183 625308315 /nfs/dbraw/zinc/30/83/15/625308315.db2.gz QJUGANXKCIVTSJ-CBCUQQMYSA-N 0 0 304.434 3.135 20 10 DGCDRN CC[C@H](CNC(=O)c1ccc(C)c(O)c1O)CC(F)(F)F ZINC000840514444 619014181 /nfs/dbraw/zinc/01/41/81/619014181.db2.gz IZEYKFFDHLZNMK-VIFPVBQESA-N 0 0 305.296 3.115 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCC[C@H]1CCC(C)(C)CO1 ZINC000897120750 619020361 /nfs/dbraw/zinc/02/03/61/619020361.db2.gz YQTNDPDGPNYCMP-OAHLLOKOSA-N 0 0 320.433 3.129 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1c2ccccc2CC[C@H]1O ZINC000897342113 619065579 /nfs/dbraw/zinc/06/55/79/619065579.db2.gz RFUIQCUGPIJNJD-CVEARBPZSA-N 0 0 321.779 3.323 20 10 DGCDRN CC(C)Oc1ccc(NC(=S)NCc2cccn2C)cc1 ZINC000202991758 619108215 /nfs/dbraw/zinc/10/82/15/619108215.db2.gz QPZXGUNPKWYLMQ-UHFFFAOYSA-N 0 0 303.431 3.299 20 10 DGCDRN C[C@H](NC(=O)c1cncc(F)c1Cl)c1ccc(N(C)C)cc1 ZINC000897434255 619120016 /nfs/dbraw/zinc/12/00/16/619120016.db2.gz PBNPGYYZSSFVRQ-JTQLQIEISA-N 0 0 321.783 3.431 20 10 DGCDRN C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000841758412 619163983 /nfs/dbraw/zinc/16/39/83/619163983.db2.gz MBQQTQOOSGNIBJ-GXTWGEPZSA-N 0 0 305.805 3.472 20 10 DGCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H]1C(F)(F)F ZINC000897796959 619183443 /nfs/dbraw/zinc/18/34/43/619183443.db2.gz IAOZCIUIMKWDFN-NSHDSACASA-N 0 0 317.288 3.089 20 10 DGCDRN Cc1cc(C)c2c(N)c(C(=O)OC[C@@H]3CC[C@H](C)O3)sc2n1 ZINC000789010097 625324691 /nfs/dbraw/zinc/32/46/91/625324691.db2.gz AQAKNBGMZWNYGT-QWRGUYRKSA-N 0 0 320.414 3.220 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000898067419 619210795 /nfs/dbraw/zinc/21/07/95/619210795.db2.gz DGIMHFSJXDBYPZ-JTQLQIEISA-N 0 0 310.369 3.192 20 10 DGCDRN Cc1cc(O)c(CNc2ccnn2[C@H]2CCCOC2)cc1C ZINC000898094448 619211855 /nfs/dbraw/zinc/21/18/55/619211855.db2.gz BEDRSYQIKRFAAI-HNNXBMFYSA-N 0 0 301.390 3.169 20 10 DGCDRN O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1cc2cc(O)c(O)cc2s1 ZINC000898106435 619217718 /nfs/dbraw/zinc/21/77/18/619217718.db2.gz NSIQRGAVESJRSP-ATZCPNFKSA-N 0 0 303.383 3.231 20 10 DGCDRN Cn1cc(C[NH2+]Cc2cccc(Cl)c2[O-])c(C(F)F)n1 ZINC000898218746 619222938 /nfs/dbraw/zinc/22/29/38/619222938.db2.gz OCLMNAUUTKAQQX-UHFFFAOYSA-N 0 0 301.724 3.007 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000898219575 619222982 /nfs/dbraw/zinc/22/29/82/619222982.db2.gz ZUGWCJWEKWSLPT-ONGXEEELSA-N 0 0 309.715 3.245 20 10 DGCDRN CC[C@@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000926963146 619253399 /nfs/dbraw/zinc/25/33/99/619253399.db2.gz MNXFMVFQRRQRKP-OCCSQVGLSA-N 0 0 322.346 3.455 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1Cc2ccccc2[C@@H]1O ZINC000898392753 619269299 /nfs/dbraw/zinc/26/92/99/619269299.db2.gz JGNOHEMPQLIWOX-HOCLYGCPSA-N 0 0 324.207 3.447 20 10 DGCDRN C[C@@H]1CCCC[C@H]1Cn1cc(COc2ccc(N)cc2)nn1 ZINC000881324884 625332383 /nfs/dbraw/zinc/33/23/83/625332383.db2.gz KZWVOUITNGMTTC-KGLIPLIRSA-N 0 0 300.406 3.266 20 10 DGCDRN C[C@H]1CCCC[C@H]1Cn1cc(COc2ccc(N)cc2)nn1 ZINC000881324883 625332584 /nfs/dbraw/zinc/33/25/84/625332584.db2.gz KZWVOUITNGMTTC-KBPBESRZSA-N 0 0 300.406 3.266 20 10 DGCDRN C[C@@]1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1(F)F ZINC000898782469 619293444 /nfs/dbraw/zinc/29/34/44/619293444.db2.gz JAVNHCHIPBVIMQ-ZDUSSCGKSA-N 0 0 313.325 3.088 20 10 DGCDRN CCN1C(=O)/C(=C\c2ccc(C(=O)OC)c(C)c2)SC1=S ZINC000899333694 619326425 /nfs/dbraw/zinc/32/64/25/619326425.db2.gz RUIYBYSLHPPYLH-XYOKQWHBSA-N 0 0 321.423 3.003 20 10 DGCDRN O=C1/C(=C\c2cnn(C3CCC3)c2)c2cccc3c2N1CCC3 ZINC000899384397 619333869 /nfs/dbraw/zinc/33/38/69/619333869.db2.gz KOAMDSCPCOJNCS-YVLHZVERSA-N 0 0 305.381 3.442 20 10 DGCDRN CCCc1ccc(Cn2cc(COc3ccc(N)cc3)nn2)cc1 ZINC000881329257 625335307 /nfs/dbraw/zinc/33/53/07/625335307.db2.gz MYAOIFQEZLJIEH-UHFFFAOYSA-N 0 0 322.412 3.440 20 10 DGCDRN CCN(CC)c1ccc(CNc2c(C)ccn(C)c2=O)cc1F ZINC000902254586 619607363 /nfs/dbraw/zinc/60/73/63/619607363.db2.gz GUTKOPVIYMABOG-UHFFFAOYSA-N 0 0 317.408 3.291 20 10 DGCDRN CC[C@H]([NH2+][C@@H](c1nncn1C)C(C)C)c1ccc(F)cc1[O-] ZINC000903063015 619708686 /nfs/dbraw/zinc/70/86/86/619708686.db2.gz AXTIGQCOPZPVFJ-DZGCQCFKSA-N 0 0 306.385 3.098 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1)c1c([O-])cccc1F ZINC000903176583 619730236 /nfs/dbraw/zinc/73/02/36/619730236.db2.gz QOKTVZBHBKXICI-HOTUBEGUSA-N 0 0 307.287 3.292 20 10 DGCDRN CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000903299173 619753438 /nfs/dbraw/zinc/75/34/38/619753438.db2.gz GYNVZDROBVTCPX-XXILOJSOSA-N 0 0 320.216 3.154 20 10 DGCDRN CC[C@H]([NH2+]C[C@H]1CCN1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000903316242 619758713 /nfs/dbraw/zinc/75/87/13/619758713.db2.gz BSXMSOUKWGREEP-SKDRFNHKSA-N 0 0 303.233 3.444 20 10 DGCDRN C[C@H]([NH2+]C1CC(CCO)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000903334210 619759077 /nfs/dbraw/zinc/75/90/77/619759077.db2.gz XYCCMRHEDRRMNE-WHXUTIOJSA-N 0 0 303.324 3.223 20 10 DGCDRN CC[C@@H]([NH2+][C@H]1CCCN(CC)C1=O)c1cccc(Cl)c1[O-] ZINC000903388224 619770143 /nfs/dbraw/zinc/77/01/43/619770143.db2.gz LYQLPJZYPUJOLT-KGLIPLIRSA-N 0 0 310.825 3.097 20 10 DGCDRN COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000903450363 619778695 /nfs/dbraw/zinc/77/86/95/619778695.db2.gz GMHHJIOTTIWGIU-LOWVWBTDSA-N 0 0 311.809 3.428 20 10 DGCDRN C[C@@H](NC(=O)[C@@]1(C)OCCc2ccccc21)c1ccccc1O ZINC000881440875 625374456 /nfs/dbraw/zinc/37/44/56/625374456.db2.gz PLPWXLFHFMCJHC-YJYMSZOUSA-N 0 0 311.381 3.058 20 10 DGCDRN Nc1ccc2c(c1)CN(Cc1c(O)cccc1Cl)CCO2 ZINC000903947355 619844096 /nfs/dbraw/zinc/84/40/96/619844096.db2.gz SCJVBWCXVNMHIU-UHFFFAOYSA-N 0 0 304.777 3.022 20 10 DGCDRN O=C(NCCCSc1nccs1)N(O)Cc1ccccc1 ZINC000904175520 619892444 /nfs/dbraw/zinc/89/24/44/619892444.db2.gz UOHLSZIDCQMMAA-UHFFFAOYSA-N 0 0 323.443 3.226 20 10 DGCDRN Oc1cccc(Br)c1CNc1nnc(C2CCC2)o1 ZINC000905429015 619998625 /nfs/dbraw/zinc/99/86/25/619998625.db2.gz RDRIVGJPEGHGKE-UHFFFAOYSA-N 0 0 324.178 3.417 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc2[nH]ccc2n1 ZINC000906113189 620059053 /nfs/dbraw/zinc/05/90/53/620059053.db2.gz SMDVHBPJLYHESV-UHFFFAOYSA-N 0 0 320.396 3.093 20 10 DGCDRN Oc1ccccc1CN(Cc1cn(C2CC2)nn1)Cc1ccco1 ZINC000906277558 620079920 /nfs/dbraw/zinc/07/99/20/620079920.db2.gz VFAZKUYBMDPOCR-UHFFFAOYSA-N 0 0 324.384 3.114 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2c(C)cc(C)nc2C)c1 ZINC000907060878 620136078 /nfs/dbraw/zinc/13/60/78/620136078.db2.gz PZLHKAKRQUNGDH-GFCCVEGCSA-N 0 0 314.385 3.212 20 10 DGCDRN C[C@H](NC(=O)C(C)(C)c1nccs1)c1ccc(N(C)C)cc1 ZINC000907491108 620158979 /nfs/dbraw/zinc/15/89/79/620158979.db2.gz ACIHXBJAYKRHJL-LBPRGKRZSA-N 0 0 317.458 3.364 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1nccnc1Cl ZINC000908044801 620187740 /nfs/dbraw/zinc/18/77/40/620187740.db2.gz GSTLVKYCWYDXRQ-UHFFFAOYSA-N 0 0 319.792 3.278 20 10 DGCDRN CC[C@@H](C)Oc1ccc(C(=O)NCc2ccc(O)cc2O)cc1 ZINC000910951237 620318645 /nfs/dbraw/zinc/31/86/45/620318645.db2.gz PTCJTWCQBKFHBK-GFCCVEGCSA-N 0 0 315.369 3.205 20 10 DGCDRN CC[C@H](Cc1cccc(C)c1)C(=O)NCc1ccc(O)cc1O ZINC000910957614 620318849 /nfs/dbraw/zinc/31/88/49/620318849.db2.gz SWSZZOZIRIKSFW-OAHLLOKOSA-N 0 0 313.397 3.291 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)Nc2ccc(OC)cc2)cc1 ZINC000150732612 620388358 /nfs/dbraw/zinc/38/83/58/620388358.db2.gz IUXNXEGPMQQSSG-UHFFFAOYSA-N 0 0 314.385 3.169 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CCCC(=O)c2ccccc2)c1 ZINC000913000140 620419035 /nfs/dbraw/zinc/41/90/35/620419035.db2.gz DBNLYGGVGOGGQX-UHFFFAOYSA-N 0 0 311.381 3.370 20 10 DGCDRN CCc1cnc(CN(C)c2cc(OC)c(OC)c(OC)c2)s1 ZINC000753570038 620452099 /nfs/dbraw/zinc/45/20/99/620452099.db2.gz KIZRNSKHLUVOCF-UHFFFAOYSA-N 0 0 322.430 3.368 20 10 DGCDRN Cc1cc(C(=O)N2CCC(=O)CC2)c(C)n1-c1cccc(C)c1 ZINC000913623101 620465396 /nfs/dbraw/zinc/46/53/96/620465396.db2.gz DYIUDQBRFQTSNY-UHFFFAOYSA-N 0 0 310.397 3.208 20 10 DGCDRN Cc1cc(C(=O)N=S(C)(C)=O)c(C)n1-c1ccc(F)cc1 ZINC000913647264 620467089 /nfs/dbraw/zinc/46/70/89/620467089.db2.gz JFUBAVKFSMQDGW-UHFFFAOYSA-N 0 0 308.378 3.101 20 10 DGCDRN C[C@@H](NC(=O)[C@@H]1CCOC2(CCCC2)C1)c1ccccc1O ZINC000913763382 620477943 /nfs/dbraw/zinc/47/79/43/620477943.db2.gz FDKGKCRZPAFVPU-ZIAGYGMSSA-N 0 0 303.402 3.309 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(C)nc2C)c1 ZINC000152416788 620505813 /nfs/dbraw/zinc/50/58/13/620505813.db2.gz AIRZYBNGAYDONR-NSHDSACASA-N 0 0 315.373 3.295 20 10 DGCDRN CC(C)Cc1ccc(CC(=O)NCCc2ccc(N)cc2)cc1 ZINC000152538260 620512098 /nfs/dbraw/zinc/51/20/98/620512098.db2.gz MAHPGMLQUBWDCV-UHFFFAOYSA-N 0 0 310.441 3.369 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCC[C@@H]1CCCC1(F)F ZINC000914417947 620527743 /nfs/dbraw/zinc/52/77/43/620527743.db2.gz YCBHWUCKZJFMGI-FUEXJSSKSA-N 0 0 311.328 3.053 20 10 DGCDRN Cc1ccc(CNC(=O)NCc2ccc(N(C)C)cc2)cc1F ZINC000031727293 620528927 /nfs/dbraw/zinc/52/89/27/620528927.db2.gz HNBOEPXWGXNJJY-UHFFFAOYSA-N 0 0 315.392 3.200 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(F)cc(F)c1 ZINC000152986251 620530488 /nfs/dbraw/zinc/53/04/88/620530488.db2.gz JWYSUKSMDJZMGN-VIFPVBQESA-N 0 0 322.311 3.129 20 10 DGCDRN Cc1cc(C(=O)O[C@@H]2CCCCC2=O)c(C)n1-c1ccccn1 ZINC000914905183 620560276 /nfs/dbraw/zinc/56/02/76/620560276.db2.gz FSSBUOHXBFDHLX-MRXNPFEDSA-N 0 0 312.369 3.158 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@]2(C)CCCS2)c1 ZINC000153409629 620561131 /nfs/dbraw/zinc/56/11/31/620561131.db2.gz MOHKOBCJPWIGSJ-BDJLRTHQSA-N 0 0 324.446 3.047 20 10 DGCDRN O=C(NCC[C@@H]1CCCC1(F)F)NCc1c(O)cccc1F ZINC000924005356 620571704 /nfs/dbraw/zinc/57/17/04/620571704.db2.gz BZBCKVLHRKTWRF-JTQLQIEISA-N 0 0 316.323 3.156 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NOCc2cccnc2)cc1 ZINC000153296318 620599285 /nfs/dbraw/zinc/59/92/85/620599285.db2.gz WNVJFCWLDOLZBC-UHFFFAOYSA-N 0 0 321.380 3.351 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)COC1CCCC1 ZINC000916046799 620615659 /nfs/dbraw/zinc/61/56/59/620615659.db2.gz FNRHYKLXHIJOQW-UHFFFAOYSA-N 0 0 318.461 3.449 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C=C/c2ccccc2F)c1 ZINC000153890162 620621424 /nfs/dbraw/zinc/62/14/24/620621424.db2.gz VASUPBMWBRCTRR-OFFHKIPUSA-N 0 0 315.344 3.431 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)/C=C/c2ccccc2F)c1 ZINC000153890087 620621470 /nfs/dbraw/zinc/62/14/70/620621470.db2.gz VASUPBMWBRCTRR-PMDBQALLSA-N 0 0 315.344 3.431 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C(=O)c2ccc(C)cc2)cc1 ZINC000916502428 620632552 /nfs/dbraw/zinc/63/25/52/620632552.db2.gz KJTCCFIHHMXXSH-UHFFFAOYSA-N 0 0 324.424 3.340 20 10 DGCDRN Cc1csc([C@H](C)C(=O)NCc2cc(Cl)ccc2O)n1 ZINC000855022908 620863402 /nfs/dbraw/zinc/86/34/02/620863402.db2.gz MFINXDFTOJDEKO-SECBINFHSA-N 0 0 310.806 3.230 20 10 DGCDRN COC[C@H](C)CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000755173217 620872303 /nfs/dbraw/zinc/87/23/03/620872303.db2.gz GLFLPMKCOWJQSU-OAHLLOKOSA-N 0 0 306.450 3.162 20 10 DGCDRN CC(C)N(Cc1ncnn1C(C)C)Cc1ccc(N(C)C)cc1 ZINC000789285125 625446229 /nfs/dbraw/zinc/44/62/29/625446229.db2.gz TXVFMJHHHSCGLY-UHFFFAOYSA-N 0 0 315.465 3.336 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)CC(C)(C)C)C2)cc1 ZINC000855225973 620881782 /nfs/dbraw/zinc/88/17/82/620881782.db2.gz MMCMGSPPHYXBAE-GJZGRUSLSA-N 0 0 318.461 3.462 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)C(C)(C)C(C)(C)C)C2)cc1 ZINC000855226990 620881917 /nfs/dbraw/zinc/88/19/17/620881917.db2.gz SEPHMMZGDBPGNX-AWEZNQCLSA-N 0 0 318.461 3.462 20 10 DGCDRN CC/C(C)=C(/C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855224519 620881921 /nfs/dbraw/zinc/88/19/21/620881921.db2.gz FQUCBFVSWFWNOG-SEWDUPMJSA-N 0 0 302.418 3.137 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)C[C@@H](C)CC(C)C)C2)cc1 ZINC000855231608 620882385 /nfs/dbraw/zinc/88/23/85/620882385.db2.gz WXPMBQBNCJDKGN-HOTGVXAUSA-N 0 0 318.461 3.462 20 10 DGCDRN CCCC(C)(C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855227157 620882419 /nfs/dbraw/zinc/88/24/19/620882419.db2.gz WFQJQIXBTJAAFZ-AWEZNQCLSA-N 0 0 304.434 3.216 20 10 DGCDRN CCC(C)(C)CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855232243 620882432 /nfs/dbraw/zinc/88/24/32/620882432.db2.gz RRTDKSWPKQYXLC-AWEZNQCLSA-N 0 0 304.434 3.216 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)C(C)(C)C)C2)cc1 ZINC000855232904 620882479 /nfs/dbraw/zinc/88/24/79/620882479.db2.gz ZKXIFJNRDQSQSX-UONOGXRCSA-N 0 0 304.434 3.072 20 10 DGCDRN C[C@H]1CN(Cc2cc(Cl)ccc2O)C[C@@H](C(F)(F)F)O1 ZINC000769498221 620886220 /nfs/dbraw/zinc/88/62/20/620886220.db2.gz SCWKDSQNQIFSAW-UFBFGSQYSA-N 0 0 309.715 3.197 20 10 DGCDRN CCC(O)(CC)CC[NH2+]Cc1cccc(Br)c1[O-] ZINC000788077209 620906341 /nfs/dbraw/zinc/90/63/41/620906341.db2.gz IMVDVZQQFGNLQZ-UHFFFAOYSA-N 0 0 316.239 3.186 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000855596369 620917223 /nfs/dbraw/zinc/91/72/23/620917223.db2.gz BJZNYHJNOJFIEN-AWEZNQCLSA-N 0 0 319.382 3.041 20 10 DGCDRN COC[C@@H](NCc1ccc2c(c1)CCCO2)c1ccc(C)o1 ZINC000921809442 620953660 /nfs/dbraw/zinc/95/36/60/620953660.db2.gz MOKVUDPHAJUJAW-MRXNPFEDSA-N 0 0 301.386 3.390 20 10 DGCDRN CC(C)(C)c1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000113832386 620954212 /nfs/dbraw/zinc/95/42/12/620954212.db2.gz KBGIIHRRACFLRA-GHRIWEEISA-N 0 0 320.392 3.446 20 10 DGCDRN CC(C)(C)CCC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856211432 620972699 /nfs/dbraw/zinc/97/26/99/620972699.db2.gz PSQRVDFJSRNNNL-UHFFFAOYSA-N 0 0 318.461 3.090 20 10 DGCDRN CC/C(C)=C(\C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856213009 620972766 /nfs/dbraw/zinc/97/27/66/620972766.db2.gz URJPESRRFGZFIU-CCEZHUSRSA-N 0 0 316.445 3.010 20 10 DGCDRN Cc1cc(C(=O)N[C@H]2C[C@H](O)C2)c(C)n1-c1cccc(Cl)c1 ZINC000856394606 620991608 /nfs/dbraw/zinc/99/16/08/620991608.db2.gz OICDLSHHOYGFAQ-CTYIDZIISA-N 0 0 318.804 3.001 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@@H](C)Cc2cccc(F)c2)c1 ZINC000114543534 621009169 /nfs/dbraw/zinc/00/91/69/621009169.db2.gz DFHVTNDCVANUSY-LBPRGKRZSA-N 0 0 317.360 3.035 20 10 DGCDRN COc1ccc(O)c(CNC(=O)CCc2ccc(C)cc2C)c1 ZINC000114541657 621009185 /nfs/dbraw/zinc/00/91/85/621009185.db2.gz LWPFTDRAFCSAEG-UHFFFAOYSA-N 0 0 313.397 3.267 20 10 DGCDRN COc1ccc(O)c(CNC(=O)CCc2ccc(Cl)cc2)c1 ZINC000114542135 621009241 /nfs/dbraw/zinc/00/92/41/621009241.db2.gz PAVGKGSZQOHMRI-UHFFFAOYSA-N 0 0 319.788 3.303 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2cccc(-n3cccc3)c2)c1 ZINC000114542209 621009354 /nfs/dbraw/zinc/00/93/54/621009354.db2.gz KZFMLNAJZDYMDJ-UHFFFAOYSA-N 0 0 322.364 3.122 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000114566376 621015580 /nfs/dbraw/zinc/01/55/80/621015580.db2.gz PNQBUHYDJMXNFP-UHFFFAOYSA-N 0 0 312.369 3.211 20 10 DGCDRN CCOc1ccccc1NC(=O)NCc1cc(OC)ccc1O ZINC000114565852 621015708 /nfs/dbraw/zinc/01/57/08/621015708.db2.gz CCOOVSZZZRMRBN-UHFFFAOYSA-N 0 0 316.357 3.121 20 10 DGCDRN CCOc1ccc(N(C)Cc2nccc(OC)c2OC)cc1 ZINC000789325901 625458995 /nfs/dbraw/zinc/45/89/95/625458995.db2.gz JTGLOIMFJUZAQL-UHFFFAOYSA-N 0 0 302.374 3.134 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCC[C@H]1CC1(F)F ZINC000856931712 621035621 /nfs/dbraw/zinc/03/56/21/621035621.db2.gz JHBFTBSDJDYUCD-ZDUSSCGKSA-N 0 0 312.360 3.359 20 10 DGCDRN COc1ccsc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000115280957 621094411 /nfs/dbraw/zinc/09/44/11/621094411.db2.gz FWSKKTJTRCBADH-UHFFFAOYSA-N 0 0 304.415 3.061 20 10 DGCDRN CC(C)c1ccc(C(=O)NCc2cc(Cl)ccc2O)nc1 ZINC000857548633 621095637 /nfs/dbraw/zinc/09/56/37/621095637.db2.gz RLDJEVYRDIWLFJ-UHFFFAOYSA-N 0 0 304.777 3.494 20 10 DGCDRN C[C@H]1C(=O)Nc2ccccc2CN1Cc1ccc(N(C)C)cc1 ZINC000857920460 621132373 /nfs/dbraw/zinc/13/23/73/621132373.db2.gz DGXDRBWVYBLHHV-AWEZNQCLSA-N 0 0 309.413 3.095 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1cccc2c1OCC2 ZINC000922945284 621135043 /nfs/dbraw/zinc/13/50/43/621135043.db2.gz WAMJCKCIPVPWKC-UHFFFAOYSA-N 0 0 307.752 3.409 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1Cc2ccccc21 ZINC000115807405 621148888 /nfs/dbraw/zinc/14/88/88/621148888.db2.gz DMRIWLFXIUZBKJ-KRWDZBQOSA-N 0 0 323.440 3.200 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCCC2)ccc1C ZINC000858096297 621152502 /nfs/dbraw/zinc/15/25/02/621152502.db2.gz ZAYOXDGURVCMOJ-UHFFFAOYSA-N 0 0 310.397 3.451 20 10 DGCDRN CN(C)c1cc(F)c(CNc2ccc3c(c2)OCCO3)cc1F ZINC000858102018 621153159 /nfs/dbraw/zinc/15/31/59/621153159.db2.gz OBVAIEIGFFQUMJ-UHFFFAOYSA-N 0 0 320.339 3.414 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCCCOC2CCCCC2)c1 ZINC000858104317 621153300 /nfs/dbraw/zinc/15/33/00/621153300.db2.gz GKTUBPHZPGZZPW-UHFFFAOYSA-N 0 0 320.433 3.239 20 10 DGCDRN CCOc1cccc(CNC(=O)NCc2cc(C)ccc2O)c1 ZINC000858144093 621157460 /nfs/dbraw/zinc/15/74/60/621157460.db2.gz GESDQSDZBITNEP-UHFFFAOYSA-N 0 0 314.385 3.099 20 10 DGCDRN CCn1ccnc1[C@H](C)NCc1cc(F)c(N(C)C)cc1F ZINC000858172212 621161052 /nfs/dbraw/zinc/16/10/52/621161052.db2.gz MYYJUEYWZJFZEI-NSHDSACASA-N 0 0 308.376 3.098 20 10 DGCDRN C[C@@H]1C[C@@H](NCc2c(O)cccc2Br)c2nccn21 ZINC000858172485 621161109 /nfs/dbraw/zinc/16/11/09/621161109.db2.gz WGBROZUXFMPELF-BXKDBHETSA-N 0 0 322.206 3.147 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2c3ccccc3C[C@@H]2C)c1 ZINC000858212508 621165185 /nfs/dbraw/zinc/16/51/85/621165185.db2.gz VKFDKHULNCAQSE-SCLBCKFNSA-N 0 0 310.397 3.433 20 10 DGCDRN CCc1nc([C@@H](C)NC(=O)NCc2cc(C)ccc2O)cs1 ZINC000858210893 621165217 /nfs/dbraw/zinc/16/52/17/621165217.db2.gz GTTMFRCRPDQDBS-LLVKDONJSA-N 0 0 319.430 3.280 20 10 DGCDRN COCCOCc1ccc(NCc2c(O)cccc2OC)cc1 ZINC000858298207 621172799 /nfs/dbraw/zinc/17/27/99/621172799.db2.gz OHUJRVVLQZKLEJ-UHFFFAOYSA-N 0 0 317.385 3.176 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCC(C)(C)[C@H]2CCCCO2)c1 ZINC000858295839 621172857 /nfs/dbraw/zinc/17/28/57/621172857.db2.gz JYWWGOVKAQCELS-MRXNPFEDSA-N 0 0 320.433 3.095 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000858331981 621176669 /nfs/dbraw/zinc/17/66/69/621176669.db2.gz DNCRUNARVWNDON-GDBMZVCRSA-N 0 0 320.433 3.094 20 10 DGCDRN CS[C@@H](CNC(=O)NCc1cc(C)ccc1O)C(C)(C)C ZINC000858357696 621180333 /nfs/dbraw/zinc/18/03/33/621180333.db2.gz JSCPHTDASBMCNU-AWEZNQCLSA-N 0 0 310.463 3.278 20 10 DGCDRN O=c1nc(Cl)cc(NCc2c(O)ccc3c2CCCC3)[nH]1 ZINC000858426914 621189457 /nfs/dbraw/zinc/18/94/57/621189457.db2.gz WWFUKSIXGUUCGC-UHFFFAOYSA-N 0 0 305.765 3.032 20 10 DGCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2cccc3c2OCC3)c1 ZINC000858478481 621196186 /nfs/dbraw/zinc/19/61/86/621196186.db2.gz ROCUZNIUYAVNIT-LLVKDONJSA-N 0 0 313.353 3.287 20 10 DGCDRN CCC1(CC)CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000838030800 621203666 /nfs/dbraw/zinc/20/36/66/621203666.db2.gz ZFWNXYVZRFSHSK-UHFFFAOYSA-N 0 0 307.413 3.223 20 10 DGCDRN Cc1cc(CNC(=O)N[C@@H]2CC23CC3)c(C)n1-c1ccccc1 ZINC000858554607 621204344 /nfs/dbraw/zinc/20/43/44/621204344.db2.gz PQCBRATVLALQRX-QGZVFWFLSA-N 0 0 309.413 3.446 20 10 DGCDRN CCO[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)C1CC1 ZINC000858663341 621213030 /nfs/dbraw/zinc/21/30/30/621213030.db2.gz SEKOXYUHAYCKAA-GOSISDBHSA-N 0 0 318.461 3.305 20 10 DGCDRN Cc1ccc(C(=O)N(C)[C@@H](C)Cc2cccc(F)c2)c(O)c1O ZINC000838219145 621225963 /nfs/dbraw/zinc/22/59/63/621225963.db2.gz VFZPRSSFXKLUKM-LBPRGKRZSA-N 0 0 317.360 3.249 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@H](C)[C@H]2C)cc1F ZINC000838392317 621244602 /nfs/dbraw/zinc/24/46/02/621244602.db2.gz SWFFVXYYKUMDHJ-QWHCGFSZSA-N 0 0 307.413 3.222 20 10 DGCDRN CC1(C2(NC(=O)NCCCSc3nccs3)CC2)CC1 ZINC000838512941 621261861 /nfs/dbraw/zinc/26/18/61/621261861.db2.gz BDXKGHVTZSKGLL-UHFFFAOYSA-N 0 0 311.476 3.257 20 10 DGCDRN C[C@@H](NCc1noc(C2CCC2)n1)c1ccc(N(C)C)cc1 ZINC000859258335 621265594 /nfs/dbraw/zinc/26/55/94/621265594.db2.gz MTXXYTYKBYSPBC-GFCCVEGCSA-N 0 0 300.406 3.254 20 10 DGCDRN C[C@@H](F)CCNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000838619177 621265871 /nfs/dbraw/zinc/26/58/71/621265871.db2.gz KPDONKHDWXKLAL-CYBMUJFWSA-N 0 0 320.364 3.445 20 10 DGCDRN CN(Cc1noc(C2CCCCC2)n1)c1ccc2c(c1)OCO2 ZINC000121339616 621269824 /nfs/dbraw/zinc/26/98/24/621269824.db2.gz XTCZDARVQPPREQ-UHFFFAOYSA-N 0 0 315.373 3.482 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@](C)(CC)OC ZINC000838660185 621270714 /nfs/dbraw/zinc/27/07/14/621270714.db2.gz CRFAOZCKJPKBRK-GOSISDBHSA-N 0 0 321.465 3.099 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1COCC1(C)C ZINC000838702132 621272160 /nfs/dbraw/zinc/27/21/60/621272160.db2.gz RYNNEKAMYUHZST-MRXNPFEDSA-N 0 0 320.433 3.129 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC(C)(C)OC1(C)C ZINC000859420990 621276529 /nfs/dbraw/zinc/27/65/29/621276529.db2.gz HARJZGZCTOWUBM-INIZCTEOSA-N 0 0 318.461 3.271 20 10 DGCDRN CN(C)c1ccc(CN2CCc3nc(C(C)(C)C)ncc3C2)cc1 ZINC000859441848 621278248 /nfs/dbraw/zinc/27/82/48/621278248.db2.gz DWCJNQQVODUFGS-UHFFFAOYSA-N 0 0 324.472 3.398 20 10 DGCDRN C[C@H]1C[C@H]1COC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000859633300 621301936 /nfs/dbraw/zinc/30/19/36/621301936.db2.gz XNCRRLPULXGBIA-JQWIXIFHSA-N 0 0 302.399 3.129 20 10 DGCDRN CNc1ccc(NC(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC000859742888 621316846 /nfs/dbraw/zinc/31/68/46/621316846.db2.gz XLMVVNDYIZPRQQ-UHFFFAOYSA-N 0 0 312.417 3.424 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2cnsn2)cc1 ZINC000839110458 621331075 /nfs/dbraw/zinc/33/10/75/621331075.db2.gz CDMVPPVMDCGEOW-UHFFFAOYSA-N 0 0 319.434 3.048 20 10 DGCDRN Oc1ccc(-c2ccccc2)cc1CN1CC(OC(F)F)C1 ZINC000839145715 621332541 /nfs/dbraw/zinc/33/25/41/621332541.db2.gz URDBQOQUWNUVHC-UHFFFAOYSA-N 0 0 305.324 3.483 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1cnsn1 ZINC000839126662 621337833 /nfs/dbraw/zinc/33/78/33/621337833.db2.gz WWXFTCNKNCDDSF-UHFFFAOYSA-N 0 0 306.391 3.078 20 10 DGCDRN COc1cccc2c1CN(Cc1cc(F)cc(C(C)=O)c1O)C2 ZINC000859938111 621348054 /nfs/dbraw/zinc/34/80/54/621348054.db2.gz MITFJRJYGLJFNE-UHFFFAOYSA-N 0 0 315.344 3.258 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1cc(C2CC2)[nH]c1C1CC1 ZINC000860243627 621385780 /nfs/dbraw/zinc/38/57/80/621385780.db2.gz RZJALNYGJHQUFN-UHFFFAOYSA-N 0 0 312.369 3.111 20 10 DGCDRN CC[C@@H]([NH2+]C[C@](C)(O)COC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806139056 621387515 /nfs/dbraw/zinc/38/75/15/621387515.db2.gz HTWGBWWTICEVMG-OCCSQVGLSA-N 0 0 322.232 3.137 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cccnc2C2CC2)c1 ZINC000752595980 621401508 /nfs/dbraw/zinc/40/15/08/621401508.db2.gz KAQDFWOPEBATIZ-NSHDSACASA-N 0 0 312.369 3.164 20 10 DGCDRN CCOc1cc(Cl)ccc1CNC(=O)C1=CC(=O)CS1 ZINC000752637471 621402917 /nfs/dbraw/zinc/40/29/17/621402917.db2.gz GZOSGAIWLNQBDY-UHFFFAOYSA-N 0 0 311.790 3.436 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc(N(C)C)cc2C)c1 ZINC000860440150 621405369 /nfs/dbraw/zinc/40/53/69/621405369.db2.gz VRYSPKQAURPNGW-UHFFFAOYSA-N 0 0 313.401 3.397 20 10 DGCDRN CC(C)Oc1ccc(NC(=S)NCc2ncccc2F)cc1 ZINC000752766664 621409202 /nfs/dbraw/zinc/40/92/02/621409202.db2.gz OXEXEFFSFOOPQT-UHFFFAOYSA-N 0 0 319.405 3.495 20 10 DGCDRN Cc1cc(NC(=O)c2ccc(C)c(O)c2O)nn1[C@@H](C)C1CC1 ZINC000752820396 621411900 /nfs/dbraw/zinc/41/19/00/621411900.db2.gz MALBPKLBRUGKDY-NSHDSACASA-N 0 0 315.373 3.134 20 10 DGCDRN Cc1cc(NC(=O)NCc2ccccc2O)nn1[C@H](C)C1CC1 ZINC000752841726 621412893 /nfs/dbraw/zinc/41/28/93/621412893.db2.gz VCJNBCQXKZSVEC-GFCCVEGCSA-N 0 0 314.389 3.190 20 10 DGCDRN CC[C@@H](C)c1nnc([C@H](C)NCc2ccc(N(C)C)c(F)c2)[nH]1 ZINC000752924569 621416104 /nfs/dbraw/zinc/41/61/04/621416104.db2.gz HTYTWOZOCSUMII-NEPJUHHUSA-N 0 0 319.428 3.374 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc3c(c2)CCCO3)c1 ZINC000860566329 621418612 /nfs/dbraw/zinc/41/86/12/621418612.db2.gz VYMBVGIYLMSNGC-UHFFFAOYSA-N 0 0 312.369 3.347 20 10 DGCDRN CC1(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)CC1 ZINC000753026305 621420770 /nfs/dbraw/zinc/42/07/70/621420770.db2.gz UFYCMUUCGXHRQL-UHFFFAOYSA-N 0 0 314.385 3.497 20 10 DGCDRN Cc1ccnn1-c1ccccc1NC(=O)NCc1ccccc1O ZINC000753028379 621421114 /nfs/dbraw/zinc/42/11/14/621421114.db2.gz IHMIYGBWUZTNKC-UHFFFAOYSA-N 0 0 322.368 3.208 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N(C)C[C@H]2CC=CCC2)cc1F ZINC000753152984 621428540 /nfs/dbraw/zinc/42/85/40/621428540.db2.gz YSLDWMSRADSQAS-AWEZNQCLSA-N 0 0 319.424 3.389 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CCCCS1 ZINC000753193181 621430369 /nfs/dbraw/zinc/43/03/69/621430369.db2.gz WWRNKEGDGKJOAC-MRXNPFEDSA-N 0 0 321.490 3.146 20 10 DGCDRN C[C@@H](NC(=O)N1CCSC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000753203872 621430936 /nfs/dbraw/zinc/43/09/36/621430936.db2.gz KWRSAGBFDZHDQS-ZIAGYGMSSA-N 0 0 321.490 3.208 20 10 DGCDRN COC(=O)COc1ccc(N(C)Cc2cc(C)oc2C)cc1 ZINC000753592213 621452432 /nfs/dbraw/zinc/45/24/32/621452432.db2.gz TUJAOCQMQYFDRN-UHFFFAOYSA-N 0 0 303.358 3.085 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2cn(C)nc2C)cc1 ZINC000753698190 621460563 /nfs/dbraw/zinc/46/05/63/621460563.db2.gz GKPULKHFKXBFNE-UHFFFAOYSA-N 0 0 322.412 3.066 20 10 DGCDRN C[C@@H](NC(=O)c1nn(C)c2ccccc12)c1ccc(N(C)C)cc1 ZINC000860950330 621461501 /nfs/dbraw/zinc/46/15/01/621461501.db2.gz MAPHFJHBGYYVEE-CYBMUJFWSA-N 0 0 322.412 3.130 20 10 DGCDRN O=C1OCC[C@@H]1CC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000753848605 621468372 /nfs/dbraw/zinc/46/83/72/621468372.db2.gz RTTLMWWHWYXQPP-AWEZNQCLSA-N 0 0 303.402 3.090 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)CC1CC(OC(C)(C)C)C1 ZINC000754184149 621494883 /nfs/dbraw/zinc/49/48/83/621494883.db2.gz VKGUJVHCXUTTFE-UHFFFAOYSA-N 0 0 305.418 3.334 20 10 DGCDRN COc1cccc(CNC(=O)Cc2c(C)cccc2Cl)c1O ZINC000754208783 621497118 /nfs/dbraw/zinc/49/71/18/621497118.db2.gz WUZJSFJRULCTRA-UHFFFAOYSA-N 0 0 319.788 3.222 20 10 DGCDRN CCOC(=O)c1ccccc1N(C)C(=O)/C=C\c1ccc(C)nc1 ZINC000754244833 621498752 /nfs/dbraw/zinc/49/87/52/621498752.db2.gz RXEKYYIUJZXNQT-QXMHVHEDSA-N 0 0 324.380 3.243 20 10 DGCDRN CCOC(=O)c1ccccc1N(C)C(=O)/C=C/c1ccc(C)nc1 ZINC000754244834 621498859 /nfs/dbraw/zinc/49/88/59/621498859.db2.gz RXEKYYIUJZXNQT-VAWYXSNFSA-N 0 0 324.380 3.243 20 10 DGCDRN CC[C@@H](CCOC)OC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000754585831 621519270 /nfs/dbraw/zinc/51/92/70/621519270.db2.gz SOGKTQZQIIXFKU-HNNXBMFYSA-N 0 0 316.401 3.461 20 10 DGCDRN CN(C)c1cccc(CNC(=S)Nc2cccc(Cl)c2)n1 ZINC000754691181 621525068 /nfs/dbraw/zinc/52/50/68/621525068.db2.gz HJQGQSNLOPAQKU-UHFFFAOYSA-N 0 0 320.849 3.288 20 10 DGCDRN Cc1cc(C)c(O)c(CN2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c1 ZINC000754736841 621529688 /nfs/dbraw/zinc/52/96/88/621529688.db2.gz NWLNAILVGIYEDQ-DGCLKSJQSA-N 0 0 303.324 3.161 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@H](F)C2)c1 ZINC000861862365 621541594 /nfs/dbraw/zinc/54/15/94/621541594.db2.gz PDKUCQRMEKGASZ-INIZCTEOSA-N 0 0 314.360 3.091 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1csc(C=O)c1 ZINC000754968691 621543533 /nfs/dbraw/zinc/54/35/33/621543533.db2.gz PLFCCZOUCRFHKZ-UHFFFAOYSA-N 0 0 316.426 3.289 20 10 DGCDRN Cc1cc(Cl)ccc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000755007652 621546198 /nfs/dbraw/zinc/54/61/98/621546198.db2.gz VXTCPNRVBAXYLW-UHFFFAOYSA-N 0 0 320.776 3.424 20 10 DGCDRN CSc1cccc(NC(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000755006797 621546224 /nfs/dbraw/zinc/54/62/24/621546224.db2.gz QOWHDBRPOYYRJC-UHFFFAOYSA-N 0 0 318.398 3.184 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)[C@@H]1C[C@H]1C1CCCC1 ZINC000862025505 621551132 /nfs/dbraw/zinc/55/11/32/621551132.db2.gz WPPJYPAZTWDEGQ-JKSUJKDBSA-N 0 0 310.397 3.383 20 10 DGCDRN CC(C)CCO[C@@H](C)C(=O)NCc1ccc2cccnc2c1O ZINC000862028102 621551170 /nfs/dbraw/zinc/55/11/70/621551170.db2.gz PRQGJPAQAABGBA-ZDUSSCGKSA-N 0 0 316.401 3.008 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)C1CCC(F)(F)CC1 ZINC000862026883 621551226 /nfs/dbraw/zinc/55/12/26/621551226.db2.gz BMKTUTZNVYUCJB-UHFFFAOYSA-N 0 0 320.339 3.382 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000862220761 621563052 /nfs/dbraw/zinc/56/30/52/621563052.db2.gz ZUKJRNLJRISYER-HZPDHXFCSA-N 0 0 322.408 3.389 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@]2(C)CCCO2)cc1 ZINC000755440195 621573148 /nfs/dbraw/zinc/57/31/48/621573148.db2.gz LIEWVOPBXMBKOT-IBGZPJMESA-N 0 0 312.413 3.393 20 10 DGCDRN C[C@@H]1CN(Cc2c(O)cccc2Br)[C@H](C)[C@H](C)O1 ZINC000862337550 621575628 /nfs/dbraw/zinc/57/56/28/621575628.db2.gz WYVPKAQWTFZCIK-MXWKQRLJSA-N 0 0 314.223 3.152 20 10 DGCDRN CC[C@]1(C)CN(Cc2c(O)cccc2Br)CCO1 ZINC000862337118 621575822 /nfs/dbraw/zinc/57/58/22/621575822.db2.gz RBDOHABIFQCQOB-CQSZACIVSA-N 0 0 314.223 3.156 20 10 DGCDRN CCOC(=O)/C=C\CSc1ncc(-c2ccccc2)n1C ZINC000755626696 621581993 /nfs/dbraw/zinc/58/19/93/621581993.db2.gz PTOBFRQRUJLNEV-YFHOEESVSA-N 0 0 302.399 3.299 20 10 DGCDRN CN(C)c1cc(F)c(CN(C)[C@H](CO)c2ccccc2)cc1F ZINC000862384428 621582066 /nfs/dbraw/zinc/58/20/66/621582066.db2.gz YXQDEMFGCVBMOK-GOSISDBHSA-N 0 0 320.383 3.196 20 10 DGCDRN CN(C)c1cc(F)c(CN2CCO[C@@](C)(C3CC3)C2)cc1F ZINC000862409518 621586237 /nfs/dbraw/zinc/58/62/37/621586237.db2.gz UQBRCLJBJKCALR-QGZVFWFLSA-N 0 0 310.388 3.032 20 10 DGCDRN COc1cccc(CN[C@H](c2nccs2)C(F)(F)F)c1O ZINC000862432111 621589098 /nfs/dbraw/zinc/58/90/98/621589098.db2.gz RRMMAYJULWXHPC-LLVKDONJSA-N 0 0 318.320 3.251 20 10 DGCDRN COc1cc(Cl)cc(CNc2cnc(OC)c(OC)c2)c1O ZINC000862471432 621593404 /nfs/dbraw/zinc/59/34/04/621593404.db2.gz DZRNORRTLMFPBU-UHFFFAOYSA-N 0 0 324.764 3.079 20 10 DGCDRN CCOC(=O)C1=CC[C@H]([NH2+]Cc2c(O)cc(C)cc2Cl)C1 ZINC000862489127 621595748 /nfs/dbraw/zinc/59/57/48/621595748.db2.gz AEFYBNIIWCQYJY-LBPRGKRZSA-N 0 0 309.793 3.096 20 10 DGCDRN CCN(CC[NH2+][C@@H](C)c1ccc(F)cc1[O-])CCC(F)(F)F ZINC000756051436 621612099 /nfs/dbraw/zinc/61/20/99/621612099.db2.gz WQSDVDIEGXSPNZ-NSHDSACASA-N 0 0 322.346 3.456 20 10 DGCDRN C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C1CCC1 ZINC000756055744 621612544 /nfs/dbraw/zinc/61/25/44/621612544.db2.gz HZBWGTNYJJUUEF-CQSZACIVSA-N 0 0 301.434 3.275 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cnn(C(C)C)c2Cl)c1 ZINC000862754229 621613248 /nfs/dbraw/zinc/61/32/48/621613248.db2.gz VEPWYQQZMOSNBY-UHFFFAOYSA-N 0 0 307.781 3.061 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)c1 ZINC000862756345 621613724 /nfs/dbraw/zinc/61/37/24/621613724.db2.gz WAWFFIXCUVPSOW-PWSUYJOCSA-N 0 0 301.308 3.295 20 10 DGCDRN COc1cccc([C@@H]2C[C@H]2C(=O)NCc2cc(C)ccc2O)c1 ZINC000862754620 621613742 /nfs/dbraw/zinc/61/37/42/621613742.db2.gz HMTGVDZLBYBNRP-DLBZAZTESA-N 0 0 311.381 3.129 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H](C)OCc2ccc(F)cc2)c1 ZINC000862755465 621613951 /nfs/dbraw/zinc/61/39/51/621613951.db2.gz SVRLDYFZYPHSBX-CYBMUJFWSA-N 0 0 317.360 3.061 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2SCCc3sccc32)c1 ZINC000862759372 621614248 /nfs/dbraw/zinc/61/42/48/621614248.db2.gz CPJKPNOBVCVVFA-HNNXBMFYSA-N 0 0 319.451 3.409 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H](C)OC2CCCCCC2)c1 ZINC000862758002 621614283 /nfs/dbraw/zinc/61/42/83/621614283.db2.gz LJEKAETYHKLUDT-CQSZACIVSA-N 0 0 305.418 3.445 20 10 DGCDRN CCSc1ccc(C(=O)NCc2cc(C)ccc2O)cn1 ZINC000862760875 621614692 /nfs/dbraw/zinc/61/46/92/621614692.db2.gz WTOTXKQWCIOTQP-UHFFFAOYSA-N 0 0 302.399 3.138 20 10 DGCDRN COC(=O)[C@H](CC1CCCCC1)NCc1cccc(C)c1O ZINC000756147146 621618267 /nfs/dbraw/zinc/61/82/67/621618267.db2.gz NKPWUVCMGGZZMG-INIZCTEOSA-N 0 0 305.418 3.302 20 10 DGCDRN C[C@H](CCC(=O)[O-])C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000756313027 621627383 /nfs/dbraw/zinc/62/73/83/621627383.db2.gz TURHWANEZDKQQI-OAHLLOKOSA-N 0 0 304.434 3.267 20 10 DGCDRN CCC(F)(F)C(C)(C)CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000862945123 621628074 /nfs/dbraw/zinc/62/80/74/621628074.db2.gz LJLNGDXBJZMFTC-SOFGYWHQSA-N 0 0 313.344 3.299 20 10 DGCDRN CCOCCC[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756343377 621629526 /nfs/dbraw/zinc/62/95/26/621629526.db2.gz YJYKRCQRAHGJNE-SECBINFHSA-N 0 0 320.202 3.371 20 10 DGCDRN C[C@@H]([NH2+]CCc1cccc(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756361439 621631072 /nfs/dbraw/zinc/63/10/72/621631072.db2.gz ZGVFBOHBDHCRJZ-LLVKDONJSA-N 0 0 304.321 3.333 20 10 DGCDRN C[C@@H]([NH2+]CC1(N(C)C)CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756358665 621631125 /nfs/dbraw/zinc/63/11/25/621631125.db2.gz WLEHWWUDUXEWDP-CYBMUJFWSA-N 0 0 321.421 3.216 20 10 DGCDRN C[C@@H]([NH2+]Cc1cn2ccccc2n1)c1cc(F)cc(F)c1[O-] ZINC000756362157 621631571 /nfs/dbraw/zinc/63/15/71/621631571.db2.gz IXLUGNBZZYUINA-SNVBAGLBSA-N 0 0 303.312 3.169 20 10 DGCDRN CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756366691 621631887 /nfs/dbraw/zinc/63/18/87/621631887.db2.gz HWUKFLPFFNYOAO-JTQLQIEISA-N 0 0 320.339 3.480 20 10 DGCDRN C[C@H]([NH2+]CCOc1ccccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756372111 621632294 /nfs/dbraw/zinc/63/22/94/621632294.db2.gz OEKXGJFJPMXVPC-NSHDSACASA-N 0 0 320.320 3.169 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)Cc2ccco2)c1 ZINC000756381168 621633385 /nfs/dbraw/zinc/63/33/85/621633385.db2.gz XTRSYBXELXKYOX-RYUDHWBXSA-N 0 0 303.358 3.054 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(C)s2)c1 ZINC000756417139 621637263 /nfs/dbraw/zinc/63/72/63/621637263.db2.gz JYXMANXICFRKNY-NSHDSACASA-N 0 0 305.399 3.400 20 10 DGCDRN C[C@H]1C[C@H]([NH2+]CCCCn2ccnc2)c2c1c(F)ccc2O ZINC000756458241 621639426 /nfs/dbraw/zinc/63/94/26/621639426.db2.gz KQTADRPKFDZNAU-JSGCOSHPSA-N 0 0 303.381 3.346 20 10 DGCDRN C[C@H]([NH2+]CCN1CCc2ccccc21)c1ccc(F)cc1[O-] ZINC000756484332 621641096 /nfs/dbraw/zinc/64/10/96/621641096.db2.gz TZWPYFPAAZLRNS-ZDUSSCGKSA-N 0 0 300.377 3.245 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)COCC(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000756488224 621641732 /nfs/dbraw/zinc/64/17/32/621641732.db2.gz MAVWFVFMIUOPOY-JGVFFNPUSA-N 0 0 313.266 3.288 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756517147 621644515 /nfs/dbraw/zinc/64/45/15/621644515.db2.gz WBYRNNFQJHRIIO-NSHDSACASA-N 0 0 314.341 3.086 20 10 DGCDRN Cc1cc(CNC(=O)C[C@@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000863165765 621644621 /nfs/dbraw/zinc/64/46/21/621644621.db2.gz NLKSQNLRDRCIHD-INIZCTEOSA-N 0 0 312.413 3.137 20 10 DGCDRN COc1nc(C)cc(C)c1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756536675 621646098 /nfs/dbraw/zinc/64/60/98/621646098.db2.gz SMQGNLYOYXOMRU-LBPRGKRZSA-N 0 0 304.365 3.403 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(F)ccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756549900 621647275 /nfs/dbraw/zinc/64/72/75/621647275.db2.gz PLBPSKPYHNABCR-SECBINFHSA-N 0 0 308.284 3.429 20 10 DGCDRN Cc1ncc2c(n1)CCC[C@H]2[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756586434 621651351 /nfs/dbraw/zinc/65/13/51/621651351.db2.gz RRWDAFSPYDYNGS-BJOHPYRUSA-N 0 0 319.355 3.497 20 10 DGCDRN CC[C@@H](CCO)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756602260 621651666 /nfs/dbraw/zinc/65/16/66/621651666.db2.gz DMEBNROQVBKATI-IUCAKERBSA-N 0 0 320.202 3.105 20 10 DGCDRN C[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1cc(F)cc(F)c1[O-] ZINC000756593023 621651725 /nfs/dbraw/zinc/65/17/25/621651725.db2.gz LCSBISQCLLOSSG-PSLIRLAXSA-N 0 0 313.369 3.290 20 10 DGCDRN Cc1nccn1CCCC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756597475 621651844 /nfs/dbraw/zinc/65/18/44/621651844.db2.gz NKRULGXDCNIDQA-LLVKDONJSA-N 0 0 309.360 3.306 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)c1 ZINC000756601840 621652260 /nfs/dbraw/zinc/65/22/60/621652260.db2.gz BKEBAQVEWHUBEJ-UGSOOPFHSA-N 0 0 323.433 3.017 20 10 DGCDRN C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cc(F)cc(F)c1[O-] ZINC000756608154 621652775 /nfs/dbraw/zinc/65/27/75/621652775.db2.gz JELYVQCUAZHLMC-JTQLQIEISA-N 0 0 322.311 3.472 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CC[C@@H](SC)C2)c1 ZINC000756610541 621652787 /nfs/dbraw/zinc/65/27/87/621652787.db2.gz PGTTWKVDGNUNSK-WCFLWFBJSA-N 0 0 309.431 3.114 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccon1)c1cc(Br)c(F)cc1[O-] ZINC000756637684 621654453 /nfs/dbraw/zinc/65/44/53/621654453.db2.gz ONMMBYJNNRTVKP-SSDOTTSWSA-N 0 0 315.142 3.133 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)c2ccncc2)c1 ZINC000756632967 621654695 /nfs/dbraw/zinc/65/46/95/621654695.db2.gz GCWNCGXXWBRDFF-STQMWFEESA-N 0 0 314.385 3.028 20 10 DGCDRN CC[C@H](O)CC[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756657652 621656779 /nfs/dbraw/zinc/65/67/79/621656779.db2.gz FAECDOMEWUBJJE-BDAKNGLRSA-N 0 0 320.202 3.105 20 10 DGCDRN COc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756710188 621659615 /nfs/dbraw/zinc/65/96/15/621659615.db2.gz BUXUAQJUSYWULX-MEBBXXQBSA-N 0 0 323.339 3.063 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCC(F)(F)C2)c1 ZINC000756764354 621662851 /nfs/dbraw/zinc/66/28/51/621662851.db2.gz HATXSAUPVMBEHE-JQWIXIFHSA-N 0 0 313.344 3.407 20 10 DGCDRN C[C@@H]([NH2+]CCc1cnc(C2CC2)nc1)c1cc(F)cc(F)c1[O-] ZINC000756768586 621663223 /nfs/dbraw/zinc/66/32/23/621663223.db2.gz FDOHOTRZCPTCTQ-SNVBAGLBSA-N 0 0 319.355 3.231 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(Cl)cn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756788164 621664729 /nfs/dbraw/zinc/66/47/29/621664729.db2.gz BLTPEFAJEMXBTN-SECBINFHSA-N 0 0 307.737 3.200 20 10 DGCDRN C[C@@H](Nc1ccc2c(c1)NC(=O)CO2)c1cc(F)cc(F)c1O ZINC000756797142 621665374 /nfs/dbraw/zinc/66/53/74/621665374.db2.gz OQIQPYCFPKRBSW-MRVPVSSYSA-N 0 0 320.295 3.174 20 10 DGCDRN C[C@H]([NH2+]CCCn1cncn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756831759 621666980 /nfs/dbraw/zinc/66/69/80/621666980.db2.gz XXQMBZYXGOFLJT-VIFPVBQESA-N 0 0 315.204 3.031 20 10 DGCDRN CNc1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000863482314 621677520 /nfs/dbraw/zinc/67/75/20/621677520.db2.gz YGBRSUWCCSWHNU-UHFFFAOYSA-N 0 0 315.392 3.316 20 10 DGCDRN CCN(CC)c1ccc(C[N@H+](C)[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000863528015 621680906 /nfs/dbraw/zinc/68/09/06/621680906.db2.gz PYZRUBJEMYHEQE-QGZVFWFLSA-N 0 0 306.450 3.464 20 10 DGCDRN CC(C)(NC(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000757159037 621690991 /nfs/dbraw/zinc/69/09/91/621690991.db2.gz OQIUQTUCSLTQQX-UHFFFAOYSA-N 0 0 301.434 3.275 20 10 DGCDRN Cc1nc(Cl)ccc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000119563832 621695793 /nfs/dbraw/zinc/69/57/93/621695793.db2.gz JZPQTWSSRBIEAF-UHFFFAOYSA-N 0 0 321.783 3.179 20 10 DGCDRN Cc1nn(C)c(Cl)c1CN(C)Cc1ccc(N(C)C)c(C)c1 ZINC000839586804 621699531 /nfs/dbraw/zinc/69/95/31/621699531.db2.gz YEXUQADWVDSUMI-UHFFFAOYSA-N 0 0 320.868 3.388 20 10 DGCDRN COc1cc2c(c(OC)c1)N(CCc1csc(C)n1)CCC2 ZINC000839656138 621704176 /nfs/dbraw/zinc/70/41/76/621704176.db2.gz IDUOTYLEVLAXMK-UHFFFAOYSA-N 0 0 318.442 3.464 20 10 DGCDRN COc1ccc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)c(F)c1 ZINC000103530397 621707260 /nfs/dbraw/zinc/70/72/60/621707260.db2.gz HRGRCEZHXRLSOK-JTQLQIEISA-N 0 0 319.332 3.040 20 10 DGCDRN COc1ccc(C(=O)N[C@H](C)c2cc(OC)ccc2O)c(F)c1 ZINC000103530400 621707501 /nfs/dbraw/zinc/70/75/01/621707501.db2.gz HRGRCEZHXRLSOK-SNVBAGLBSA-N 0 0 319.332 3.040 20 10 DGCDRN C[C@H](NC(=O)Cc1cnccc1Cl)c1ccc(N(C)C)cc1 ZINC000839727935 621717241 /nfs/dbraw/zinc/71/72/41/621717241.db2.gz FTOOYDXPHZCEFB-LBPRGKRZSA-N 0 0 317.820 3.221 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1cc(C(N)=O)ccc1Cl ZINC000863995861 621725331 /nfs/dbraw/zinc/72/53/31/621725331.db2.gz HYZINYUUAWGEHD-UHFFFAOYSA-N 0 0 317.820 3.425 20 10 DGCDRN C[C@@H](Nc1ccc2c(c1)C(=O)NCC2)c1cc(F)cc(F)c1O ZINC000757614584 621728562 /nfs/dbraw/zinc/72/85/62/621728562.db2.gz VLXLRJZIIVGJPB-SECBINFHSA-N 0 0 318.323 3.129 20 10 DGCDRN C[NH+](C)CCOc1cccc(NCc2ccc(F)c(F)c2[O-])c1 ZINC000864026527 621728598 /nfs/dbraw/zinc/72/85/98/621728598.db2.gz OQJKNTKLNRZBLI-UHFFFAOYSA-N 0 0 322.355 3.223 20 10 DGCDRN C[NH+](C)CCOc1ccc(NCc2ccc(F)c(F)c2[O-])cc1 ZINC000864023992 621728626 /nfs/dbraw/zinc/72/86/26/621728626.db2.gz UKULPOMTGCLZJX-UHFFFAOYSA-N 0 0 322.355 3.223 20 10 DGCDRN Cc1nnc(CN[C@@H](C)c2cc3c(cc2O)CCCC3)s1 ZINC000757636960 621730195 /nfs/dbraw/zinc/73/01/95/621730195.db2.gz FUAOVCVQGOTBQQ-JTQLQIEISA-N 0 0 303.431 3.282 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)c2cncc(F)c2)c1 ZINC000757640827 621730753 /nfs/dbraw/zinc/73/07/53/621730753.db2.gz VBANEELDYAXJOW-QWRGUYRKSA-N 0 0 318.348 3.125 20 10 DGCDRN COc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)c(F)c1 ZINC000864042486 621730793 /nfs/dbraw/zinc/73/07/93/621730793.db2.gz OEOLFXACNQBRJK-UHFFFAOYSA-N 0 0 322.292 3.069 20 10 DGCDRN CN(C)c1ccc(CNc2cccc(-n3nccn3)c2)cc1F ZINC000864043206 621730849 /nfs/dbraw/zinc/73/08/49/621730849.db2.gz HZUKQNGFCNSAKO-UHFFFAOYSA-N 0 0 311.364 3.085 20 10 DGCDRN C[C@H](CCCC(F)(F)F)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000757647141 621731212 /nfs/dbraw/zinc/73/12/12/621731212.db2.gz OIGNTXBRAPDXGN-ONRRBMGISA-N 0 0 317.307 3.348 20 10 DGCDRN C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000757666396 621732433 /nfs/dbraw/zinc/73/24/33/621732433.db2.gz SOWPLMMIBLGXDD-SWLSCSKDSA-N 0 0 321.367 3.315 20 10 DGCDRN COc1ccc(N(C)CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1F ZINC000757851032 621742916 /nfs/dbraw/zinc/74/29/16/621742916.db2.gz BKRIPFPZZZRIPY-HEHGZKQESA-N 0 0 322.424 3.211 20 10 DGCDRN COc1ccc(N(C)Cc2cc([N+](=O)[O-])ccc2OC)cc1F ZINC000757851578 621742954 /nfs/dbraw/zinc/74/29/54/621742954.db2.gz APOPDUDKUYYHNK-UHFFFAOYSA-N 0 0 320.320 3.388 20 10 DGCDRN CCc1oc(C(=O)OC)cc1CN(C)c1ccc(OC)c(F)c1 ZINC000757857852 621743440 /nfs/dbraw/zinc/74/34/40/621743440.db2.gz QFMMSFXAYINITN-UHFFFAOYSA-N 0 0 321.348 3.413 20 10 DGCDRN CCCN(CCC)C(=O)CN(C)c1ccc(OC)c(Cl)c1 ZINC000757857961 621743472 /nfs/dbraw/zinc/74/34/72/621743472.db2.gz UDPORWZRSDOONU-UHFFFAOYSA-N 0 0 312.841 3.433 20 10 DGCDRN CCc1cccc(CC)c1S(=O)(=O)Nc1ccc(O)cc1F ZINC000758168474 621762774 /nfs/dbraw/zinc/76/27/74/621762774.db2.gz ADBLECIFGBERDZ-UHFFFAOYSA-N 0 0 323.389 3.457 20 10 DGCDRN C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000758320846 621774930 /nfs/dbraw/zinc/77/49/30/621774930.db2.gz ZMKOERFHWOABSG-IJEWVQPXSA-N 0 0 303.450 3.377 20 10 DGCDRN CN(C)c1cc(F)c(C[NH2+][C@H](CC(=O)[O-])C(C)(C)C)cc1F ZINC000864510577 621775823 /nfs/dbraw/zinc/77/58/23/621775823.db2.gz XGIBKPGMWVFTFJ-CQSZACIVSA-N 0 0 314.376 3.010 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCC(C)(C)[C@H]1CCCCO1 ZINC000758900284 621809956 /nfs/dbraw/zinc/80/99/56/621809956.db2.gz YCSXBQHAKOLWRA-MRXNPFEDSA-N 0 0 320.433 3.129 20 10 DGCDRN O=C(NCCCSc1nccs1)N[C@@H]1CC12CCCC2 ZINC000759002218 621818355 /nfs/dbraw/zinc/81/83/55/621818355.db2.gz LCLWQXSDJFWLRW-LLVKDONJSA-N 0 0 311.476 3.257 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)C1(c2ccccn2)CC1 ZINC000864862808 621823168 /nfs/dbraw/zinc/82/31/68/621823168.db2.gz NVTMTAJIWVRRNP-UHFFFAOYSA-N 0 0 321.424 3.030 20 10 DGCDRN C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1(C)C ZINC000759209643 621837352 /nfs/dbraw/zinc/83/73/52/621837352.db2.gz OYHHNDJEZMFDTC-AWEZNQCLSA-N 0 0 303.450 3.330 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CC12CCCC2 ZINC000759324690 621845245 /nfs/dbraw/zinc/84/52/45/621845245.db2.gz XYECWOMPYPOSAD-KRWDZBQOSA-N 0 0 314.429 3.403 20 10 DGCDRN Cc1ccc([N+](=O)[O-])c(N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000120393088 621859219 /nfs/dbraw/zinc/85/92/19/621859219.db2.gz JCKBTTUGHBVRBT-UHFFFAOYSA-N 0 0 300.362 3.001 20 10 DGCDRN CCOc1ccccc1COC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000759592862 621873713 /nfs/dbraw/zinc/87/37/13/621873713.db2.gz AVGHLIBGYRXCFW-CSKARUKUSA-N 0 0 314.337 3.253 20 10 DGCDRN C[C@H]1CN(C(=O)NCCCSc2nccs2)C(C)(C)C1 ZINC000759600971 621874787 /nfs/dbraw/zinc/87/47/87/621874787.db2.gz BRQKYPBQWYIJKT-LLVKDONJSA-N 0 0 313.492 3.455 20 10 DGCDRN CN(C)c1ccc(CN(Cc2ccco2)c2ncccn2)cc1 ZINC000759696576 621883468 /nfs/dbraw/zinc/88/34/68/621883468.db2.gz JLXSGJWSDPWAIQ-UHFFFAOYSA-N 0 0 308.385 3.342 20 10 DGCDRN C[C@@H]1CCCC[C@@H]1OCCOC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000759789131 621890653 /nfs/dbraw/zinc/89/06/53/621890653.db2.gz QAXJPXXTOPVGTO-QDBPKORMSA-N 0 0 320.385 3.250 20 10 DGCDRN Cc1nnc(NCc2c(O)cccc2Br)n1C1CC1 ZINC000865293505 621891785 /nfs/dbraw/zinc/89/17/85/621891785.db2.gz ZPABOSLEYLVJDH-UHFFFAOYSA-N 0 0 323.194 3.002 20 10 DGCDRN C[C@H]1C[C@H]1c1nnc(NCc2c(O)cccc2Br)o1 ZINC000865294608 621891810 /nfs/dbraw/zinc/89/18/10/621891810.db2.gz PYPFNJYMRXXDOU-JGVFFNPUSA-N 0 0 324.178 3.273 20 10 DGCDRN Cc1ncc(NCc2ccc(N3CCCCC3)cc2)cc1C(N)=O ZINC000865295167 621892273 /nfs/dbraw/zinc/89/22/73/621892273.db2.gz APCIKDPZXQDSJK-UHFFFAOYSA-N 0 0 324.428 3.091 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCC[C@H](C)CO)cc1 ZINC000759888281 621900149 /nfs/dbraw/zinc/90/01/49/621900149.db2.gz BGSSMCKCQAEQAZ-AWEZNQCLSA-N 0 0 314.429 3.233 20 10 DGCDRN Cc1cc(/C=C2\SC(=S)N(C3CC3)C2=O)cnc1Cl ZINC000760216520 621921403 /nfs/dbraw/zinc/92/14/03/621921403.db2.gz BURUUKXJUKEALG-YHYXMXQVSA-N 0 0 310.831 3.407 20 10 DGCDRN CCOc1ccc(C[C@@H](C)CNC(=O)C2=CC(=O)CS2)cc1 ZINC000839792136 621941487 /nfs/dbraw/zinc/94/14/87/621941487.db2.gz NOUDMKRTWGFPRD-GFCCVEGCSA-N 0 0 319.426 3.461 20 10 DGCDRN COC(=O)[C@H](C)Cc1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000760458085 621941911 /nfs/dbraw/zinc/94/19/11/621941911.db2.gz FAXOZAOHGJIPGH-SNVBAGLBSA-N 0 0 319.382 3.058 20 10 DGCDRN Cc1ccc(C)c(CN(C)C(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000760547226 621950330 /nfs/dbraw/zinc/95/03/30/621950330.db2.gz CXEBYHQSRUMGAD-CLFYSBASSA-N 0 0 311.381 3.386 20 10 DGCDRN CCOC(C)(C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000865603283 621960088 /nfs/dbraw/zinc/96/00/88/621960088.db2.gz DEOSQFVCAZDOOM-UHFFFAOYSA-N 0 0 318.461 3.354 20 10 DGCDRN CCC(CC)(C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C(=O)OC ZINC000760877829 621971130 /nfs/dbraw/zinc/97/11/30/621971130.db2.gz ABUBMTJCQGAWJD-SNVBAGLBSA-N 0 0 315.360 3.300 20 10 DGCDRN C[C@H]([NH2+]Cc1nn(C)c2ccccc12)c1cc(F)cc(F)c1[O-] ZINC000760895484 621972427 /nfs/dbraw/zinc/97/24/27/621972427.db2.gz AJGPUTZIFZPEES-JTQLQIEISA-N 0 0 317.339 3.408 20 10 DGCDRN CC(C)(C)CCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000760987987 621977958 /nfs/dbraw/zinc/97/79/58/621977958.db2.gz HAJVJEAIBDYIEB-UHFFFAOYSA-N 0 0 324.808 3.246 20 10 DGCDRN CN1C(=O)/C(=C/c2nc3ccc(F)cc3s2)SC1=S ZINC000760989081 621978441 /nfs/dbraw/zinc/97/84/41/621978441.db2.gz KQECHPLVHPJFRY-UITAMQMPSA-N 0 0 310.400 3.266 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000865694101 621979104 /nfs/dbraw/zinc/97/91/04/621979104.db2.gz SNTSPPPGRUMIJU-SXAYMSPUSA-N 0 0 314.212 3.212 20 10 DGCDRN CS[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000865734381 621982327 /nfs/dbraw/zinc/98/23/27/621982327.db2.gz VYFDSRPRQICZAN-MGCOHNPYSA-N 0 0 302.237 3.138 20 10 DGCDRN CCC[C@H](CC)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761185727 621992632 /nfs/dbraw/zinc/99/26/32/621992632.db2.gz QLOINVPTQJQTEX-ZDUSSCGKSA-N 0 0 324.808 3.389 20 10 DGCDRN COc1ccc(N(C)Cc2ccccc2NC(C)=O)cc1OC ZINC000761220670 621995255 /nfs/dbraw/zinc/99/52/55/621995255.db2.gz IUUHOVVJUJHEQJ-UHFFFAOYSA-N 0 0 314.385 3.299 20 10 DGCDRN COc1ccc(N(C)Cc2nn(C)c3ccccc23)cc1OC ZINC000761220486 621995297 /nfs/dbraw/zinc/99/52/97/621995297.db2.gz GKOFNEBYWRFAFQ-UHFFFAOYSA-N 0 0 311.385 3.227 20 10 DGCDRN Nc1ncc(CN2CCCc3cc(OC(F)F)ccc32)s1 ZINC000761222243 621995661 /nfs/dbraw/zinc/99/56/61/621995661.db2.gz NVVJNFXGQQXBHM-UHFFFAOYSA-N 0 0 311.357 3.280 20 10 DGCDRN CN(C)c1ccc(/C=C\CNCc2nn(C)cc2C(F)F)cc1 ZINC000865806520 621998486 /nfs/dbraw/zinc/99/84/86/621998486.db2.gz BINWHSBNBAFYCU-PLNGDYQASA-N 0 0 320.387 3.227 20 10 DGCDRN CCN(CC)c1ccc(CNc2ccn(CCF)n2)cc1F ZINC000865837515 622004683 /nfs/dbraw/zinc/00/46/83/622004683.db2.gz OIIYGFHOLIWBLS-UHFFFAOYSA-N 0 0 308.376 3.450 20 10 DGCDRN C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)NC2(CCCCC2)C1=O ZINC000761578795 622018950 /nfs/dbraw/zinc/01/89/50/622018950.db2.gz LDWQBTHWOBHRCD-ZDUSSCGKSA-N 0 0 315.417 3.068 20 10 DGCDRN C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)[C@@H]2CCCCCN2C1=O ZINC000761582014 622019035 /nfs/dbraw/zinc/01/90/35/622019035.db2.gz YWVBMRJFYUPOQS-BBRMVZONSA-N 0 0 315.417 3.020 20 10 DGCDRN O=C(Nc1cc(-c2cccc(F)c2F)[nH]n1)C1=CC(=O)CS1 ZINC000761603394 622020052 /nfs/dbraw/zinc/02/00/52/622020052.db2.gz QTNGPLOJSCACHB-UHFFFAOYSA-N 0 0 321.308 3.374 20 10 DGCDRN Cc1cccc(OCCNC(=O)N[C@H](C)c2ccccc2O)c1 ZINC000866161784 622057182 /nfs/dbraw/zinc/05/71/82/622057182.db2.gz WTKKAVNTCFAEMF-CQSZACIVSA-N 0 0 314.385 3.140 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1ccccc1OCC(F)F ZINC000762219910 622063760 /nfs/dbraw/zinc/06/37/60/622063760.db2.gz JJRABHBFMWIOIW-UHFFFAOYSA-N 0 0 322.311 3.358 20 10 DGCDRN CCOc1cc(C(=O)NCc2ccccc2O)cc(Cl)c1O ZINC000762624189 622087565 /nfs/dbraw/zinc/08/75/65/622087565.db2.gz VHTMTTGXSRVVSV-UHFFFAOYSA-N 0 0 321.760 3.080 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCOC[C@H]1C ZINC000762707592 622093327 /nfs/dbraw/zinc/09/33/27/622093327.db2.gz TXDKRCVFGHRAQF-BXUZGUMPSA-N 0 0 318.442 3.310 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1cccc(Cl)c1[O-] ZINC000866463951 622122401 /nfs/dbraw/zinc/12/24/01/622122401.db2.gz REZLSYOKJFSGQM-VIRWGQHYSA-N 0 0 311.731 3.398 20 10 DGCDRN C[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866491479 622126844 /nfs/dbraw/zinc/12/68/44/622126844.db2.gz RWRQYOXYVRRDJA-YMRXKLBXSA-N 0 0 320.389 3.299 20 10 DGCDRN O=C(COC(=O)C1=CC(=O)CS1)C1CCC(F)(F)CC1 ZINC000763194306 622129047 /nfs/dbraw/zinc/12/90/47/622129047.db2.gz JJZIWXLRWVKWTI-UHFFFAOYSA-N 0 0 304.314 3.005 20 10 DGCDRN C[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCOC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866513024 622130286 /nfs/dbraw/zinc/13/02/86/622130286.db2.gz RHGPUTCRVCPLKH-XTQGRXLLSA-N 0 0 320.389 3.156 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C3CC3)C2)cc1 ZINC000763480256 622147633 /nfs/dbraw/zinc/14/76/33/622147633.db2.gz ZZQJJDRYRWVWKJ-KRWDZBQOSA-N 0 0 315.461 3.474 20 10 DGCDRN CC[C@@H](NCc1ccc(N(C)C)c(F)c1)C(=O)OC(C)(C)C ZINC000763501554 622148495 /nfs/dbraw/zinc/14/84/95/622148495.db2.gz NTOAGGLCPORKPY-CQSZACIVSA-N 0 0 310.413 3.102 20 10 DGCDRN CCOc1ccc(O)c(CN[C@H](CC)C(=O)OC(C)(C)C)c1 ZINC000763502518 622148720 /nfs/dbraw/zinc/14/87/20/622148720.db2.gz SLAQRJLQKQELJF-CQSZACIVSA-N 0 0 309.406 3.001 20 10 DGCDRN COc1ccc(N(C[C@@H]2CC3(CC3)C(=O)O2)C(C)C)cc1F ZINC000763721264 622159680 /nfs/dbraw/zinc/15/96/80/622159680.db2.gz DJVXQNVFKXTZAJ-ZDUSSCGKSA-N 0 0 307.365 3.145 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cc(Cl)ncc1Cl ZINC000121753366 622177365 /nfs/dbraw/zinc/17/73/65/622177365.db2.gz JICQTZIRIOPOMJ-UHFFFAOYSA-N 0 0 311.168 3.366 20 10 DGCDRN CNC(=O)c1ccc(CN(C)c2ccc(OC)c(Cl)c2)cc1 ZINC000121847712 622186348 /nfs/dbraw/zinc/18/63/48/622186348.db2.gz LQELGJCKFAYVII-UHFFFAOYSA-N 0 0 318.804 3.345 20 10 DGCDRN C[C@@H](CCc1ccco1)NC(=O)N[C@@H](C)c1ccccc1O ZINC000867984833 622199980 /nfs/dbraw/zinc/19/99/80/622199980.db2.gz PHNIHUBJMPBPJA-STQMWFEESA-N 0 0 302.374 3.367 20 10 DGCDRN COCc1ccccc1CNC(=O)N[C@@H](C)c1ccccc1O ZINC000868029909 622206642 /nfs/dbraw/zinc/20/66/42/622206642.db2.gz DYAPXYSBKYCBBU-ZDUSSCGKSA-N 0 0 314.385 3.099 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H](C)O[C@H]1C ZINC000868110084 622215145 /nfs/dbraw/zinc/21/51/45/622215145.db2.gz SBFMZYCKHMUFOT-OFQRWUPVSA-N 0 0 305.418 3.334 20 10 DGCDRN C[C@H](CNC(=O)N[C@@H](C)c1ccccc1O)Oc1ccccc1 ZINC000868253057 622228501 /nfs/dbraw/zinc/22/85/01/622228501.db2.gz LUMDVFCTQYHQPN-KGLIPLIRSA-N 0 0 314.385 3.220 20 10 DGCDRN C[C@@H](NC(=O)NC[C@H](C)Oc1ccccc1)c1ccccc1O ZINC000868253059 622228508 /nfs/dbraw/zinc/22/85/08/622228508.db2.gz LUMDVFCTQYHQPN-UONOGXRCSA-N 0 0 314.385 3.220 20 10 DGCDRN C[C@H](NC(=O)NCC1Cc2ccccc2C1)c1ccccc1O ZINC000868271836 622229872 /nfs/dbraw/zinc/22/98/72/622229872.db2.gz YAMNISNJGJCKTF-ZDUSSCGKSA-N 0 0 310.397 3.167 20 10 DGCDRN Oc1cccc(Cl)c1CNc1nnc(-c2ccncc2)o1 ZINC000764922089 622233033 /nfs/dbraw/zinc/23/30/33/622233033.db2.gz VUCOGOANVBYRCC-UHFFFAOYSA-N 0 0 302.721 3.103 20 10 DGCDRN Cc1ccc(Cl)c(NCc2ccc(N3CCOCC3)cc2)n1 ZINC000765011974 622239682 /nfs/dbraw/zinc/23/96/82/622239682.db2.gz GHLVORDTOJLHBB-UHFFFAOYSA-N 0 0 317.820 3.492 20 10 DGCDRN CC(C)C[C@H]1C[C@H](NC(=O)N[C@@H](C)c2ccccc2O)CCO1 ZINC000868479851 622248154 /nfs/dbraw/zinc/24/81/54/622248154.db2.gz LKCUIUHFTXQGDW-ZNMIVQPWSA-N 0 0 320.433 3.346 20 10 DGCDRN C[C@H](NC(=O)N[C@@H](C)c1ccccc1O)c1cncc(F)c1 ZINC000868490041 622249599 /nfs/dbraw/zinc/24/95/99/622249599.db2.gz MTRVAQALQBWYHA-QWRGUYRKSA-N 0 0 303.337 3.048 20 10 DGCDRN C[C@@H](CNC(=O)N[C@@H](C)c1ccccc1O)c1nccs1 ZINC000868498120 622250308 /nfs/dbraw/zinc/25/03/08/622250308.db2.gz IYJWYFBRFPNIPJ-QWRGUYRKSA-N 0 0 305.403 3.013 20 10 DGCDRN Cc1cnc([C@H](C)CNC(=O)N[C@@H](C)c2ccccc2O)s1 ZINC000868498787 622250411 /nfs/dbraw/zinc/25/04/11/622250411.db2.gz AEYVAGZEYIRIML-PWSUYJOCSA-N 0 0 319.430 3.321 20 10 DGCDRN Cc1ccc(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000868515300 622252892 /nfs/dbraw/zinc/25/28/92/622252892.db2.gz KJDOUIJMJATLKF-ZDUSSCGKSA-N 0 0 301.390 3.214 20 10 DGCDRN CC(C)[C@H](NC(=O)N[C@@H](C)c1ccccc1O)C(F)(F)F ZINC000868530708 622254629 /nfs/dbraw/zinc/25/46/29/622254629.db2.gz PBHRVCIQWRKAMH-CABZTGNLSA-N 0 0 304.312 3.339 20 10 DGCDRN Cc1cc(C)nc(NC(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000765275145 622255989 /nfs/dbraw/zinc/25/59/89/622255989.db2.gz VXDWZLYZXDZSCA-UHFFFAOYSA-N 0 0 324.428 3.403 20 10 DGCDRN C[C@@H](NC(=O)NCC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000868585474 622260827 /nfs/dbraw/zinc/26/08/27/622260827.db2.gz FPFWLLYUBNVGLT-LXTVHRRPSA-N 0 0 320.433 3.346 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H](C)c1c(F)cncc1F)c1ccccc1O ZINC000868605476 622263208 /nfs/dbraw/zinc/26/32/08/622263208.db2.gz DUEQUWQSGPLIDF-ZJUUUORDSA-N 0 0 321.327 3.187 20 10 DGCDRN CCCc1nc(C)c(CNC(=O)N[C@@H](C)c2ccccc2O)o1 ZINC000868642637 622267361 /nfs/dbraw/zinc/26/73/61/622267361.db2.gz RXNPVGKWIQXLFI-NSHDSACASA-N 0 0 317.389 3.202 20 10 DGCDRN CCOC1(CNC(=O)N[C@H](C)c2ccccc2O)CCCC1 ZINC000868650371 622268400 /nfs/dbraw/zinc/26/84/00/622268400.db2.gz GXHBBTZXZLORCM-CYBMUJFWSA-N 0 0 306.406 3.102 20 10 DGCDRN COc1ccc2c(c1)N(Cc1cccc(Cl)c1O)CCO2 ZINC000765650884 622279789 /nfs/dbraw/zinc/27/97/89/622279789.db2.gz HFUHLLZMLUJBLN-UHFFFAOYSA-N 0 0 305.761 3.453 20 10 DGCDRN O=C(C[C@H]1C=CCC1)NCc1cccc(Br)c1O ZINC000765751236 622285255 /nfs/dbraw/zinc/28/52/55/622285255.db2.gz BNEYFDRSSJMNSQ-JTQLQIEISA-N 0 0 310.191 3.127 20 10 DGCDRN O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)C1=CC(=O)CS1 ZINC000765863899 622291664 /nfs/dbraw/zinc/29/16/64/622291664.db2.gz BUVUNSUOOIBQBH-TZMCWYRMSA-N 0 0 303.383 3.104 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CCCC23CC3)cc1F ZINC000868845425 622292161 /nfs/dbraw/zinc/29/21/61/622292161.db2.gz VOOYGCCQNNYYJA-OAHLLOKOSA-N 0 0 305.397 3.024 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H](CO)C(C)C ZINC000805317212 622295139 /nfs/dbraw/zinc/29/51/39/622295139.db2.gz SEOQDBOLHQPGDF-AWEZNQCLSA-N 0 0 320.458 3.150 20 10 DGCDRN c1csc(SCCCNc2ncnc3c2CCCC3)n1 ZINC000129195924 625554737 /nfs/dbraw/zinc/55/47/37/625554737.db2.gz JOUNEYBFCGZFDR-UHFFFAOYSA-N 0 0 306.460 3.406 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCCC[C@@H]1F ZINC000868923243 622299517 /nfs/dbraw/zinc/29/95/17/622299517.db2.gz ZNPYFYOONLYJIJ-NWDGAFQWSA-N 0 0 300.761 3.126 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CCOC3(CCCC3)C2)c1O ZINC000766124002 622307733 /nfs/dbraw/zinc/30/77/33/622307733.db2.gz ZNSVPSQVKFILKE-UHFFFAOYSA-N 0 0 323.820 3.393 20 10 DGCDRN COCC1(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)CC1 ZINC000766123821 622307916 /nfs/dbraw/zinc/30/79/16/622307916.db2.gz SIVPAYBKAWOJQI-UHFFFAOYSA-N 0 0 312.413 3.311 20 10 DGCDRN CCCc1nc(CN2CCCCc3cc(OC)ccc32)no1 ZINC000766271320 622316197 /nfs/dbraw/zinc/31/61/97/622316197.db2.gz ZJHTUDDVXCPTSY-UHFFFAOYSA-N 0 0 301.390 3.374 20 10 DGCDRN CNC(=O)c1cccc(CN2CCCCc3cc(OC)ccc32)c1 ZINC000766268904 622316369 /nfs/dbraw/zinc/31/63/69/622316369.db2.gz GYXFDUBFRFFJOF-UHFFFAOYSA-N 0 0 324.424 3.398 20 10 DGCDRN O=C(CC(F)(F)C(F)(F)F)NCc1cc(Cl)ccc1O ZINC000869146803 622321990 /nfs/dbraw/zinc/32/19/90/622321990.db2.gz LVKRAWWETFOFRM-UHFFFAOYSA-N 0 0 317.641 3.250 20 10 DGCDRN CC[C@H]1CCCC[C@@H]1OCC(=O)NCc1ccc(N(C)C)cc1 ZINC000766332370 622322047 /nfs/dbraw/zinc/32/20/47/622322047.db2.gz NJPOYBRVSHLWKG-WMZOPIPTSA-N 0 0 318.461 3.354 20 10 DGCDRN CCc1cccnc1C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000766383004 622325672 /nfs/dbraw/zinc/32/56/72/622325672.db2.gz TVZOYCKGERHDGJ-UHFFFAOYSA-N 0 0 311.429 3.420 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCOC[C@@H]1C ZINC000766392098 622326245 /nfs/dbraw/zinc/32/62/45/622326245.db2.gz GPQYEXOPJCXXMW-YJBOKZPZSA-N 0 0 318.461 3.162 20 10 DGCDRN C[C@@H](CC(F)(F)F)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000766479804 622333083 /nfs/dbraw/zinc/33/30/83/622333083.db2.gz PLZICSLHODRXKZ-LURJTMIESA-N 0 0 312.675 3.384 20 10 DGCDRN Oc1ccc(Cl)c(F)c1CN1C[C@@H](O)Cc2ccccc21 ZINC000789761524 625563457 /nfs/dbraw/zinc/56/34/57/625563457.db2.gz IHRARDZOVMEBGL-NSHDSACASA-N 0 0 307.752 3.108 20 10 DGCDRN Cc1cc(Cl)cc(CN2C[C@H](O)Cc3ccccc32)c1O ZINC000789761141 625563711 /nfs/dbraw/zinc/56/37/11/625563711.db2.gz BAQIEGVMNVIBRS-OAHLLOKOSA-N 0 0 303.789 3.278 20 10 DGCDRN O=C1CCc2ccc(NCc3ccc(N4CCCC4)cc3)nc21 ZINC000881804631 625566415 /nfs/dbraw/zinc/56/64/15/625566415.db2.gz NJIMBEYCXLBVRY-UHFFFAOYSA-N 0 0 307.397 3.423 20 10 DGCDRN CCOC(=O)c1ccc(CN2CCc3cc(OC)ccc32)o1 ZINC000768131227 622440545 /nfs/dbraw/zinc/44/05/45/622440545.db2.gz XQSIJJBGOBNERK-UHFFFAOYSA-N 0 0 301.342 3.028 20 10 DGCDRN CN(C)c1ccc(CN2CCN(c3ccccc3)CC2)cc1F ZINC000768138501 622441454 /nfs/dbraw/zinc/44/14/54/622441454.db2.gz MIBDXJICZQSNFL-UHFFFAOYSA-N 0 0 313.420 3.214 20 10 DGCDRN COc1cccc(O)c1CN1CCc2[nH]c3ccccc3c2C1 ZINC000768231432 622446533 /nfs/dbraw/zinc/44/65/33/622446533.db2.gz UQCBWXWGGXCWRW-UHFFFAOYSA-N 0 0 308.381 3.440 20 10 DGCDRN COc1cccc(O)c1CN1CCO[C@H](c2ccc(F)cc2)C1 ZINC000768426181 622455462 /nfs/dbraw/zinc/45/54/62/622455462.db2.gz PPAIWUJRXFNWEK-SFHVURJKSA-N 0 0 317.360 3.113 20 10 DGCDRN CCOc1ccc(CN2CCC[C@@H]2c2cc(C)on2)c(O)c1 ZINC000768427511 622455632 /nfs/dbraw/zinc/45/56/32/622455632.db2.gz BYAOVFNFFYNPNU-MRXNPFEDSA-N 0 0 302.374 3.424 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)OCCC2OCCO2)cc1 ZINC000768509137 622460446 /nfs/dbraw/zinc/46/04/46/622460446.db2.gz HDNNUKOZALXDAX-UHFFFAOYSA-N 0 0 315.369 3.014 20 10 DGCDRN CCCOc1cc(OC)ccc1C(=O)NCc1ccccc1O ZINC000789815753 625568750 /nfs/dbraw/zinc/56/87/50/625568750.db2.gz GLHMGTFGWRAHJC-UHFFFAOYSA-N 0 0 315.369 3.120 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)CCC2CC2)c1 ZINC000768969776 622489110 /nfs/dbraw/zinc/48/91/10/622489110.db2.gz QZCAAMUEQJHHRI-NEPJUHHUSA-N 0 0 306.406 3.340 20 10 DGCDRN Cc1cc(NC(=O)N(C)Cc2ccccc2O)c2ccccc2n1 ZINC000769210917 622507888 /nfs/dbraw/zinc/50/78/88/622507888.db2.gz PBIZWKLFQWBBBZ-UHFFFAOYSA-N 0 0 321.380 3.335 20 10 DGCDRN COC(=O)C(C)(C)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000769306979 622516113 /nfs/dbraw/zinc/51/61/13/622516113.db2.gz XWMLBSRFYKPWIZ-UHFFFAOYSA-N 0 0 304.434 3.060 20 10 DGCDRN Cc1cc(C)c(C)c(OCCC(=O)NCc2ccccc2O)c1 ZINC000769362926 622520632 /nfs/dbraw/zinc/52/06/32/622520632.db2.gz ABUJCPNFHDFGQO-UHFFFAOYSA-N 0 0 313.397 3.403 20 10 DGCDRN O=C(CCOc1ccc(F)c(Cl)c1)NCc1ccccc1O ZINC000769363600 622520764 /nfs/dbraw/zinc/52/07/64/622520764.db2.gz WCJWCNOUCKRTQJ-UHFFFAOYSA-N 0 0 323.751 3.270 20 10 DGCDRN Cc1ccc(O)c(C[N@@H+](C)[C@H]2CCCN(c3ccccc3)C2=O)c1 ZINC000769461812 622529690 /nfs/dbraw/zinc/52/96/90/622529690.db2.gz WVMFHDOZGIQROK-SFHVURJKSA-N 0 0 324.424 3.328 20 10 DGCDRN C[C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@@H](C(F)(F)F)O1 ZINC000769497788 622534053 /nfs/dbraw/zinc/53/40/53/622534053.db2.gz SCWKDSQNQIFSAW-PELKAZGASA-N 0 0 309.715 3.197 20 10 DGCDRN CCOc1ccc(CN2CCOC[C@H]2c2ccccc2)c(O)c1 ZINC000769503813 622535068 /nfs/dbraw/zinc/53/50/68/622535068.db2.gz NDQBJWPKZQXCEQ-SFHVURJKSA-N 0 0 313.397 3.364 20 10 DGCDRN CC[C@@H]1CN(Cc2cc(Cl)ccc2O)CCN1CC(F)F ZINC000769514729 622536846 /nfs/dbraw/zinc/53/68/46/622536846.db2.gz NSCYVGSWRWXYGE-CYBMUJFWSA-N 0 0 318.795 3.207 20 10 DGCDRN O=Cc1cc(C(=O)NCc2c(O)ccc3c2CCCC3)cs1 ZINC000769562857 622541271 /nfs/dbraw/zinc/54/12/71/622541271.db2.gz RGBFWPKEGQVSQP-UHFFFAOYSA-N 0 0 315.394 3.075 20 10 DGCDRN Cc1ccc(C(=O)Nc2cccc3c2OC(C)(C)C3)c(O)c1O ZINC000789883130 625575122 /nfs/dbraw/zinc/57/51/22/625575122.db2.gz FODJKSJOGPQIGU-UHFFFAOYSA-N 0 0 313.353 3.372 20 10 DGCDRN Cc1ccccc1OCCCC(=O)N1Cc2cccc(O)c2C1 ZINC000871198563 622565611 /nfs/dbraw/zinc/56/56/11/622565611.db2.gz JRMQYWLVDLOIMH-UHFFFAOYSA-N 0 0 311.381 3.402 20 10 DGCDRN C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N1Cc2cccc(O)c2C1 ZINC000871198661 622565867 /nfs/dbraw/zinc/56/58/67/622565867.db2.gz MIQYIQBRRFKYMJ-ZDUSSCGKSA-N 0 0 323.392 3.191 20 10 DGCDRN C[C@@H](CC(=O)N1Cc2cccc(O)c2C1)C(=O)c1ccccc1 ZINC000871202260 622566523 /nfs/dbraw/zinc/56/65/23/622566523.db2.gz BKFYGNIAZBDSNF-ZDUSSCGKSA-N 0 0 309.365 3.144 20 10 DGCDRN O=C(c1ccc(OC2CCC2)cc1)N1Cc2cccc(O)c2C1 ZINC000871202263 622566555 /nfs/dbraw/zinc/56/65/55/622566555.db2.gz BLJALRLYQLTGRM-UHFFFAOYSA-N 0 0 309.365 3.480 20 10 DGCDRN CC[C@H]1CCCC[C@H]1OCC(=O)N1Cc2cccc(O)c2C1 ZINC000871203514 622567377 /nfs/dbraw/zinc/56/73/77/622567377.db2.gz AYKLMSGNCNTYFC-SUMWQHHRSA-N 0 0 303.402 3.220 20 10 DGCDRN Cn1cc(CCC(=O)N2Cc3cccc(O)c3C2)c2ccccc21 ZINC000871202992 622567482 /nfs/dbraw/zinc/56/74/82/622567482.db2.gz IXCAXWPDNUHCNS-UHFFFAOYSA-N 0 0 320.392 3.359 20 10 DGCDRN Cc1cccc(CO[C@H](C)C(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871207030 622568709 /nfs/dbraw/zinc/56/87/09/622568709.db2.gz IRWVKLCRCHSCQP-CQSZACIVSA-N 0 0 311.381 3.148 20 10 DGCDRN FC(F)CN(Cc1ccc(N2CCOCC2)cc1)CC1CCC1 ZINC000770296437 622618678 /nfs/dbraw/zinc/61/86/78/622618678.db2.gz XKROVHBQVGYEHF-UHFFFAOYSA-N 0 0 324.415 3.390 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC(C(C)C)C(C)C)c1 ZINC000770418117 622631684 /nfs/dbraw/zinc/63/16/84/622631684.db2.gz OLYNJRYHSXEAAX-LBPRGKRZSA-N 0 0 308.422 3.442 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2nccs2)cc1F ZINC000770459724 622635728 /nfs/dbraw/zinc/63/57/28/622635728.db2.gz AHIHKNCKUPHFPE-UHFFFAOYSA-N 0 0 307.394 3.058 20 10 DGCDRN Cc1cnc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000770614083 622652347 /nfs/dbraw/zinc/65/23/47/622652347.db2.gz CQQDUFFUKMEVPE-HUUCEWRRSA-N 0 0 315.417 3.231 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1cn(C)nc1C(F)F ZINC000770645049 622656191 /nfs/dbraw/zinc/65/61/91/622656191.db2.gz GGEVIBPIJVRKAN-UHFFFAOYSA-N 0 0 307.344 3.319 20 10 DGCDRN Cc1c[nH]c(NC(=O)c2sccc2-n2c(C)ccc2C)n1 ZINC000771036034 622706908 /nfs/dbraw/zinc/70/69/08/622706908.db2.gz DSKBGKOYJOULIC-UHFFFAOYSA-N 0 0 300.387 3.439 20 10 DGCDRN CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)C1=CC(=O)CS1 ZINC000771417361 622756392 /nfs/dbraw/zinc/75/63/92/622756392.db2.gz HWDMHZFXUASBNA-LKFCYVNXSA-N 0 0 309.362 3.099 20 10 DGCDRN C[C@@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000872110089 622813083 /nfs/dbraw/zinc/81/30/83/622813083.db2.gz CMHIUNHRNGDTND-SSDOTTSWSA-N 0 0 317.229 3.354 20 10 DGCDRN Cc1cncc(/C=C/C(=O)N2CCc3cc(F)c(F)cc32)c1 ZINC000772062701 622841138 /nfs/dbraw/zinc/84/11/38/622841138.db2.gz ZVBFGJHFECIFME-NSCUHMNNSA-N 0 0 300.308 3.271 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cccc(Cl)c2F)cc1 ZINC000124024768 622880781 /nfs/dbraw/zinc/88/07/81/622880781.db2.gz NOLXBYFAOHDONU-UHFFFAOYSA-N 0 0 306.768 3.475 20 10 DGCDRN CCn1cnc2c1ncnc2N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000772299994 622881783 /nfs/dbraw/zinc/88/17/83/622881783.db2.gz KBRREXSEQNNQKE-LBPRGKRZSA-N 0 0 310.405 3.085 20 10 DGCDRN C[C@@H](Nc1ccc(C(=O)NC2CC2)cn1)c1ccc(N(C)C)cc1 ZINC000772300316 622881787 /nfs/dbraw/zinc/88/17/87/622881787.db2.gz ZUIDRESTZWCGBD-CYBMUJFWSA-N 0 0 324.428 3.213 20 10 DGCDRN C[C@H](Nc1ncncc1Br)c1ccc(N(C)C)cc1 ZINC000772301943 622882805 /nfs/dbraw/zinc/88/28/05/622882805.db2.gz XWDCJXAAZLFWBT-JTQLQIEISA-N 0 0 321.222 3.478 20 10 DGCDRN Cc1c(NC(=O)NCc2ccccc2O)cnn1-c1ccccc1 ZINC000772440387 622896957 /nfs/dbraw/zinc/89/69/57/622896957.db2.gz ISZPVGRUIHZVJY-UHFFFAOYSA-N 0 0 322.368 3.208 20 10 DGCDRN Cc1cc(NC(=O)NCc2ccccc2O)nn1-c1ccccc1 ZINC000772585660 622915101 /nfs/dbraw/zinc/91/51/01/622915101.db2.gz UNQRGWVWOLPWBF-UHFFFAOYSA-N 0 0 322.368 3.208 20 10 DGCDRN C[C@H](NC(=O)c1[nH]nc2ccccc21)c1ccc(N(C)C)cc1 ZINC000773001263 622963747 /nfs/dbraw/zinc/96/37/47/622963747.db2.gz SAUUHDZSAAOQKH-LBPRGKRZSA-N 0 0 308.385 3.120 20 10 DGCDRN C[C@H](NC(=O)C=C1CCSCC1)c1ccc(N(C)C)cc1 ZINC000773002164 622963767 /nfs/dbraw/zinc/96/37/67/622963767.db2.gz YKMZYHVYUQLFLG-ZDUSSCGKSA-N 0 0 304.459 3.383 20 10 DGCDRN CC(C)n1nccc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773000919 622964321 /nfs/dbraw/zinc/96/43/21/622964321.db2.gz QRBNBGNTODNSKM-ZDUSSCGKSA-N 0 0 300.406 3.021 20 10 DGCDRN CCc1ncsc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773011208 622966306 /nfs/dbraw/zinc/96/63/06/622966306.db2.gz DONLUDOEOGMRMO-NSHDSACASA-N 0 0 303.431 3.263 20 10 DGCDRN C[C@H](NC(=O)c1ccncc1Cl)c1ccc(N(C)C)cc1 ZINC000773014386 622967168 /nfs/dbraw/zinc/96/71/68/622967168.db2.gz IMSNIFZZNGZAAG-NSHDSACASA-N 0 0 303.793 3.292 20 10 DGCDRN COc1csc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773016206 622967939 /nfs/dbraw/zinc/96/79/39/622967939.db2.gz TYLMSGLSBBXLTP-NSHDSACASA-N 0 0 304.415 3.314 20 10 DGCDRN C[C@@H](NC(=O)Cc1cc(F)ccc1F)c1ccc(N(C)C)cc1 ZINC000773021068 622969179 /nfs/dbraw/zinc/96/91/79/622969179.db2.gz RMGZJHNOTWEEHV-GFCCVEGCSA-N 0 0 318.367 3.451 20 10 DGCDRN C[C@H](NC(=O)NCc1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000773188786 622997147 /nfs/dbraw/zinc/99/71/47/622997147.db2.gz OPGFJAQVUQSAQG-ZDUSSCGKSA-N 0 0 315.392 3.452 20 10 DGCDRN COc1cc(SC)ccc1NC(=O)c1ccc(C)c(O)c1O ZINC000773252778 623005137 /nfs/dbraw/zinc/00/51/37/623005137.db2.gz WMIMLHZGTPTZEB-UHFFFAOYSA-N 0 0 319.382 3.389 20 10 DGCDRN C[C@H](NC(=O)NCCOC1CCCC1)c1ccc(N(C)C)cc1 ZINC000773276589 623007999 /nfs/dbraw/zinc/00/79/99/623007999.db2.gz LQNHBTOBDCRQCR-AWEZNQCLSA-N 0 0 319.449 3.072 20 10 DGCDRN C[C@H](NC(=O)NC[C@@]1(C)CCCS1)c1ccc(N(C)C)cc1 ZINC000773388004 623021404 /nfs/dbraw/zinc/02/14/04/623021404.db2.gz BMOLORYSAZQODN-SUMWQHHRSA-N 0 0 321.490 3.399 20 10 DGCDRN C[C@H](C(=O)NCc1ccccc1O)c1cn(C)c2ccccc12 ZINC000773398697 623022803 /nfs/dbraw/zinc/02/28/03/623022803.db2.gz SQCVDWRAYNQOJL-ZDUSSCGKSA-N 0 0 308.381 3.304 20 10 DGCDRN COc1ccc(CN[C@H]2CCCC2(F)F)cc1Cn1cccn1 ZINC000873126595 623041736 /nfs/dbraw/zinc/04/17/36/623041736.db2.gz JEMDKOVQWDCGEX-INIZCTEOSA-N 0 0 321.371 3.217 20 10 DGCDRN C[C@H](NC(=O)N1CCS[C@@H](C)[C@H]1C)c1ccc(N(C)C)cc1 ZINC000773614958 623051320 /nfs/dbraw/zinc/05/13/20/623051320.db2.gz VHKKQDSWSOYRPP-MJBXVCDLSA-N 0 0 321.490 3.349 20 10 DGCDRN CCC[C@H]1CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000773614558 623051326 /nfs/dbraw/zinc/05/13/26/623051326.db2.gz ANISIEGCVJPZKU-YOEHRIQHSA-N 0 0 319.449 3.024 20 10 DGCDRN Cc1cccnc1CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773627623 623053147 /nfs/dbraw/zinc/05/31/47/623053147.db2.gz PLEFHMBGZZKMPU-AWEZNQCLSA-N 0 0 312.417 3.016 20 10 DGCDRN C[C@@H](NC(=O)NCc1ccc(O)cc1)c1ccc(N(C)C)cc1 ZINC000773627456 623053412 /nfs/dbraw/zinc/05/34/12/623053412.db2.gz XVHDFYIGDDTZNS-CYBMUJFWSA-N 0 0 313.401 3.019 20 10 DGCDRN C[C@H](NC(=O)NC[C@@H]1CCCCS1)c1ccc(N(C)C)cc1 ZINC000773626109 623053456 /nfs/dbraw/zinc/05/34/56/623053456.db2.gz MFXKRLTVMREBLA-BBRMVZONSA-N 0 0 321.490 3.399 20 10 DGCDRN CC(C)OCCCN(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773627207 623053540 /nfs/dbraw/zinc/05/35/40/623053540.db2.gz WJPWSIAOPOYNMV-OAHLLOKOSA-N 0 0 321.465 3.270 20 10 DGCDRN CCN(C)c1ccc(CN2C[C@H](C)O[C@H](C(F)(F)F)C2)cc1 ZINC000773753248 623067173 /nfs/dbraw/zinc/06/71/73/623067173.db2.gz DWACBFAVOSYZIA-WFASDCNBSA-N 0 0 316.367 3.294 20 10 DGCDRN Cc1nccnc1[C@H](C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000873187709 623067350 /nfs/dbraw/zinc/06/73/50/623067350.db2.gz ARRXPACKXLBVBK-JTQLQIEISA-N 0 0 322.206 3.104 20 10 DGCDRN CCN(C)c1ccc(CN2CCOC[C@@H]2c2ccco2)cc1 ZINC000773750636 623067901 /nfs/dbraw/zinc/06/79/01/623067901.db2.gz DPNTULXHNCLXJL-QGZVFWFLSA-N 0 0 300.402 3.309 20 10 DGCDRN C[C@H](NC(=O)c1nc(Cl)ccc1F)c1ccc(N(C)C)cc1 ZINC000773991447 623097248 /nfs/dbraw/zinc/09/72/48/623097248.db2.gz XYPIZNVUJIWEKS-JTQLQIEISA-N 0 0 321.783 3.431 20 10 DGCDRN Cc1cncc(/C=C\C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773995322 623097581 /nfs/dbraw/zinc/09/75/81/623097581.db2.gz TZXWIXFNRWHVRL-WSVPDTOYSA-N 0 0 309.413 3.347 20 10 DGCDRN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1nc(C2CC2)no1 ZINC000774484995 623151286 /nfs/dbraw/zinc/15/12/86/623151286.db2.gz UHXWWHRAEBGKSI-RYUDHWBXSA-N 0 0 300.406 3.425 20 10 DGCDRN CC[C@H]1CN(Cc2cc(Br)cc(C)c2O)CCO1 ZINC000124524924 623153265 /nfs/dbraw/zinc/15/32/65/623153265.db2.gz YEMVUXDHQJZTHY-ZDUSSCGKSA-N 0 0 314.223 3.074 20 10 DGCDRN COc1ccc(O)c([C@H](C)Nc2cc(C)cc(OCCO)c2)c1 ZINC000774507503 623153577 /nfs/dbraw/zinc/15/35/77/623153577.db2.gz FAPDILRBNKMLNM-ZDUSSCGKSA-N 0 0 317.385 3.253 20 10 DGCDRN Cc1cccc2c1N(C1CC1)CCN2C(=O)/C=C\c1cccnc1 ZINC000774520401 623155232 /nfs/dbraw/zinc/15/52/32/623155232.db2.gz KACYTKIJMPEPLE-YFHOEESVSA-N 0 0 319.408 3.419 20 10 DGCDRN CCOC(=O)c1cc(NCc2ccccc2O)ccc1[N+](=O)[O-] ZINC000774523082 623155503 /nfs/dbraw/zinc/15/55/03/623155503.db2.gz DZLQNSYAAGBEOF-UHFFFAOYSA-N 0 0 316.313 3.089 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NOC2CCCC2)cc1 ZINC000774683136 623176436 /nfs/dbraw/zinc/17/64/36/623176436.db2.gz LRHKPEZXMVCWID-UHFFFAOYSA-N 0 0 305.422 3.206 20 10 DGCDRN CO[C@H]1CCC[C@H]1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000774832145 623197336 /nfs/dbraw/zinc/19/73/36/623197336.db2.gz JGTLXNSDBPSTSP-GWCFXTLKSA-N 0 0 314.223 3.059 20 10 DGCDRN CCCN(Cc1ccc([N+](=O)[O-])c(OC)c1O)CC(F)(F)F ZINC000774841008 623198242 /nfs/dbraw/zinc/19/82/42/623198242.db2.gz QKYOLJZYXLHKAH-UHFFFAOYSA-N 0 0 322.283 3.083 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CCC[C@@H]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000774877432 623204482 /nfs/dbraw/zinc/20/44/82/623204482.db2.gz XLKWIAJOKNPSIX-CYBMUJFWSA-N 0 0 308.378 3.320 20 10 DGCDRN CCC1(CC)CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000774887136 623205192 /nfs/dbraw/zinc/20/51/92/623205192.db2.gz OSFFYMOWVTZHCV-UHFFFAOYSA-N 0 0 308.378 3.321 20 10 DGCDRN COc1c([O-])c(C[NH2+]C2CCC(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000775022724 623217432 /nfs/dbraw/zinc/21/74/32/623217432.db2.gz FUXZCQDHVAQGIT-UHFFFAOYSA-N 0 0 308.378 3.367 20 10 DGCDRN CC[C@@H](CC(F)(F)F)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775063298 623224289 /nfs/dbraw/zinc/22/42/89/623224289.db2.gz PMSANFAREZVVSX-VIFPVBQESA-N 0 0 322.283 3.130 20 10 DGCDRN C[C@@H]1CCC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000874161321 623246330 /nfs/dbraw/zinc/24/63/30/623246330.db2.gz RJFXWIZGYISLID-NEPJUHHUSA-N 0 0 302.378 3.405 20 10 DGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cc(Cl)no1 ZINC000874239955 623250100 /nfs/dbraw/zinc/25/01/00/623250100.db2.gz IHTBXQSPBZDXTH-UHFFFAOYSA-N 0 0 319.792 3.248 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(F)cncc1F ZINC000874232872 623250226 /nfs/dbraw/zinc/25/02/26/623250226.db2.gz XQQFGCWJSRRALQ-UHFFFAOYSA-N 0 0 319.355 3.088 20 10 DGCDRN COc1cc(Cl)ccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000775356163 623259057 /nfs/dbraw/zinc/25/90/57/623259057.db2.gz FSWCRYTWPAHBAV-XVNBXDOJSA-N 0 0 319.744 3.412 20 10 DGCDRN Cc1cccnc1/C=C\C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775404305 623269693 /nfs/dbraw/zinc/26/96/93/623269693.db2.gz MOAMTPVXLRVSOA-QYMJWVLRSA-N 0 0 309.413 3.347 20 10 DGCDRN Cc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000775402137 623269731 /nfs/dbraw/zinc/26/97/31/623269731.db2.gz BNRUUKQNGDMRON-BLMSOEDDSA-N 0 0 309.413 3.347 20 10 DGCDRN C[C@@H](NC(=O)/C=C\c1ccc(O)cc1)c1ccc(N(C)C)cc1 ZINC000775402566 623269746 /nfs/dbraw/zinc/26/97/46/623269746.db2.gz HFWAMNOHLBZFON-CNTYAEFGSA-N 0 0 310.397 3.349 20 10 DGCDRN C[C@@H](NC(=O)Cc1n[nH]c2ccccc12)c1ccc(N(C)C)cc1 ZINC000775412549 623272166 /nfs/dbraw/zinc/27/21/66/623272166.db2.gz YMEUTNNNDPRSIY-CYBMUJFWSA-N 0 0 322.412 3.049 20 10 DGCDRN CCc1nnc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000775435121 623275147 /nfs/dbraw/zinc/27/51/47/623275147.db2.gz SLMGIQDBRQTCOJ-JTQLQIEISA-N 0 0 319.434 3.049 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H](COC)OC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775546683 623287469 /nfs/dbraw/zinc/28/74/69/623287469.db2.gz KUKFSDHPPNSIOX-CABZTGNLSA-N 0 0 322.232 3.401 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000775700247 623315718 /nfs/dbraw/zinc/31/57/18/623315718.db2.gz JMFYTCMDMPPKIV-MRXNPFEDSA-N 0 0 321.779 3.276 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1cccc2c1OCCO2 ZINC000775764489 623328131 /nfs/dbraw/zinc/32/81/31/623328131.db2.gz YRDVZWKINDIYFL-UHFFFAOYSA-N 0 0 323.751 3.246 20 10 DGCDRN CN(C)[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccco1 ZINC000775797881 623333184 /nfs/dbraw/zinc/33/31/84/623333184.db2.gz CRLHWMNBBYIUNU-ZDUSSCGKSA-N 0 0 312.772 3.170 20 10 DGCDRN COc1ncc(/C=C/C(=O)N2CCC[C@H](C)c3ccccc32)cn1 ZINC000775898445 623348011 /nfs/dbraw/zinc/34/80/11/623348011.db2.gz WRKCHLNNWXYAFL-HBWSCVEGSA-N 0 0 323.396 3.429 20 10 DGCDRN CCOc1ccc(CNc2cccc(-c3ncn(C)n3)c2)c(O)c1 ZINC000775973962 623359599 /nfs/dbraw/zinc/35/95/99/623359599.db2.gz VRHWFCWYVVKVNE-UHFFFAOYSA-N 0 0 324.384 3.199 20 10 DGCDRN CC[C@H]1[C@@H](C)CCN1C(=O)NCc1ccc(N(C)C)cc1C ZINC000776149621 623382736 /nfs/dbraw/zinc/38/27/36/623382736.db2.gz ISGICXBRGBHHDO-GUYCJALGSA-N 0 0 303.450 3.391 20 10 DGCDRN CN1C(=O)COc2ccc(NCc3c(O)cccc3Cl)cc21 ZINC000776219539 623398520 /nfs/dbraw/zinc/39/85/20/623398520.db2.gz GMIFPZFKSMROKY-UHFFFAOYSA-N 0 0 318.760 3.013 20 10 DGCDRN C[C@@H](NC(=O)N(C)Cc1ccccn1)c1ccc(N(C)C)cc1 ZINC000776237809 623400808 /nfs/dbraw/zinc/40/08/08/623400808.db2.gz ISQLPCXCPWFEMY-CQSZACIVSA-N 0 0 312.417 3.050 20 10 DGCDRN CO[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000776240409 623401020 /nfs/dbraw/zinc/40/10/20/623401020.db2.gz VNXCJMHPXKSCNV-PBHICJAKSA-N 0 0 319.449 3.024 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cccc2c1OCCCO2 ZINC000776250804 623401908 /nfs/dbraw/zinc/40/19/08/623401908.db2.gz MIECGZLPKHHMSI-UHFFFAOYSA-N 0 0 319.788 3.497 20 10 DGCDRN C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776253329 623401962 /nfs/dbraw/zinc/40/19/62/623401962.db2.gz MFVUBJUKLSMPKG-TVQRCGJNSA-N 0 0 313.756 3.380 20 10 DGCDRN O=C(OCc1csc(-c2ccco2)n1)c1cccc(O)c1O ZINC000776282329 623406979 /nfs/dbraw/zinc/40/69/79/623406979.db2.gz QLRKEGRVVGYMFP-UHFFFAOYSA-N 0 0 317.322 3.171 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCO[C@@H](C)C2)cc1 ZINC000776294004 623408311 /nfs/dbraw/zinc/40/83/11/623408311.db2.gz LSSFPRSQTKSFHU-DOTOQJQBSA-N 0 0 318.461 3.306 20 10 DGCDRN CCc1cccc2c1N(C(=O)/C=C/c1cnc(OC)nc1)CCC2 ZINC000776313377 623410628 /nfs/dbraw/zinc/41/06/28/623410628.db2.gz FATUMBKNTIMVTJ-MDZDMXLPSA-N 0 0 323.396 3.040 20 10 DGCDRN CCOc1ccc(CNC(=O)NCc2cc(C)ccc2O)cc1 ZINC000875151658 623422755 /nfs/dbraw/zinc/42/27/55/623422755.db2.gz IPPGJUFFXOXGOI-UHFFFAOYSA-N 0 0 314.385 3.099 20 10 DGCDRN C[C@@H]1CC[C@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000776474967 623433875 /nfs/dbraw/zinc/43/38/75/623433875.db2.gz JZALLIBCZKQDHF-HLLBOEOZSA-N 0 0 317.429 3.336 20 10 DGCDRN O=C(NCc1ccccc1O)c1ccc(C(F)(F)F)cc1O ZINC000776473744 623434096 /nfs/dbraw/zinc/43/40/96/623434096.db2.gz LDUNRLFXABIONK-UHFFFAOYSA-N 0 0 311.259 3.047 20 10 DGCDRN CCS[C@H]1CCC[C@H](NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000875343058 623439694 /nfs/dbraw/zinc/43/96/94/623439694.db2.gz SAMIIBVJLCJVNR-KBPBESRZSA-N 0 0 320.458 3.482 20 10 DGCDRN CC[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(F)cc1F ZINC000776658884 623449765 /nfs/dbraw/zinc/44/97/65/623449765.db2.gz YROADHDDWNARQS-CYBMUJFWSA-N 0 0 307.296 3.257 20 10 DGCDRN C[C@H](NC(=O)N[C@H](c1cccnc1)C1CC1)c1ccccc1O ZINC000875432616 623450135 /nfs/dbraw/zinc/45/01/35/623450135.db2.gz VYCHDXXIDGVRIJ-SJCJKPOMSA-N 0 0 311.385 3.299 20 10 DGCDRN O=C(NC[C@H]1CCCC(F)(F)C1)N1Cc2cccc(O)c2C1 ZINC000875559639 623464951 /nfs/dbraw/zinc/46/49/51/623464951.db2.gz NEOVLOPWPLJOTL-NSHDSACASA-N 0 0 310.344 3.243 20 10 DGCDRN C[C@H](NCc1cocn1)c1ccc(N2CCOCC2)cc1Cl ZINC000777035043 623488506 /nfs/dbraw/zinc/48/85/06/623488506.db2.gz CUBSGHQBUNJFPA-LBPRGKRZSA-N 0 0 321.808 3.015 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCC[C@@H]1CCCOC1 ZINC000875774985 623491397 /nfs/dbraw/zinc/49/13/97/623491397.db2.gz IXLFSLVIEUVBRX-HNNXBMFYSA-N 0 0 320.433 3.131 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@H](C3CC3)C2)cc1 ZINC000777194869 623504334 /nfs/dbraw/zinc/50/43/34/623504334.db2.gz CAEMQXDBHBELCO-LJQANCHMSA-N 0 0 324.424 3.345 20 10 DGCDRN CCCc1nc(C)c(NC(=O)/C=C\c2ccc(O)c(O)c2)s1 ZINC000777398551 623520766 /nfs/dbraw/zinc/52/07/66/623520766.db2.gz HQQHAPDDSWBWMY-VURMDHGXSA-N 0 0 318.398 3.467 20 10 DGCDRN COc1cccc(CNC(=O)N[C@H](C)[C@@]23C[C@@H]2CCCC3)c1O ZINC000876016491 623524636 /nfs/dbraw/zinc/52/46/36/623524636.db2.gz GXGSUBDAOHZUND-UVBSCNOISA-N 0 0 318.417 3.169 20 10 DGCDRN COc1cccc(O)c1CNc1cnn(Cc2ccccc2)c1 ZINC000777463281 623529236 /nfs/dbraw/zinc/52/92/36/623529236.db2.gz NJFUAGMRQQSGEI-UHFFFAOYSA-N 0 0 309.369 3.258 20 10 DGCDRN COc1ccc(O)c(CNc2ccc3c(c2)CCCC(=O)N3)c1 ZINC000777497610 623532415 /nfs/dbraw/zinc/53/24/15/623532415.db2.gz XZEWEFIGMCVGKA-UHFFFAOYSA-N 0 0 312.369 3.288 20 10 DGCDRN C[C@@H](Nc1ccc2c(c1)C(=O)NCC2)c1ccc(N(C)C)cc1 ZINC000777692280 623556992 /nfs/dbraw/zinc/55/69/92/623556992.db2.gz JRXRJBUXNUHHBJ-CYBMUJFWSA-N 0 0 309.413 3.212 20 10 DGCDRN CCCCN(C(=O)/C=C/c1cnn(C)c1)c1ccc(Cl)nc1 ZINC000876316659 623582647 /nfs/dbraw/zinc/58/26/47/623582647.db2.gz NCFUFDSZPIXURO-VMPITWQZSA-N 0 0 318.808 3.315 20 10 DGCDRN C[C@@H]1CCN2[C@@H](C1)C(=O)N[C@@H]2c1cc(-c2ccccc2)ccc1O ZINC000777901498 623582719 /nfs/dbraw/zinc/58/27/19/623582719.db2.gz YXWDROSLVMXRIN-FMEYXAORSA-N 0 0 322.408 3.288 20 10 DGCDRN CC(C)=CCCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000790521120 625664010 /nfs/dbraw/zinc/66/40/10/625664010.db2.gz SETLMDKHDDLXTJ-UHFFFAOYSA-N 0 0 302.418 3.427 20 10 DGCDRN C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(F)c(F)c1[O-] ZINC000876547067 623639840 /nfs/dbraw/zinc/63/98/40/623639840.db2.gz GXLHMLFAGQAMME-UHFFFAOYSA-N 0 0 307.296 3.031 20 10 DGCDRN CCCn1cc(CN(C)Cc2ccc(N(CC)CC)cc2)nn1 ZINC000876551421 623641355 /nfs/dbraw/zinc/64/13/55/623641355.db2.gz RBTYUANUOHDIDK-UHFFFAOYSA-N 0 0 315.465 3.166 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](F)Cc2ccccc2)c1 ZINC000778390172 623651385 /nfs/dbraw/zinc/65/13/85/623651385.db2.gz LOYVJUAZTNXWMX-LRDDRELGSA-N 0 0 317.360 3.159 20 10 DGCDRN C[N@@H+](Cc1ccc(F)c(F)c1[O-])C[C@@H]1OCCc2ccccc21 ZINC000876634012 623664745 /nfs/dbraw/zinc/66/47/45/623664745.db2.gz JDOFEOMPVXBLQG-INIZCTEOSA-N 0 0 319.351 3.416 20 10 DGCDRN C[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H]1F ZINC000778620560 623677582 /nfs/dbraw/zinc/67/75/82/623677582.db2.gz NPTBARNFXOPPNU-WMLDXEAASA-N 0 0 319.424 3.176 20 10 DGCDRN CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1cccc(O)c1O ZINC000790538229 625667576 /nfs/dbraw/zinc/66/75/76/625667576.db2.gz FMFXVARYWHSPGE-GFCCVEGCSA-N 0 0 315.369 3.376 20 10 DGCDRN C[C@H](Cc1ccccc1Cl)NC(=O)c1cccc(O)c1O ZINC000790544501 625667590 /nfs/dbraw/zinc/66/75/90/625667590.db2.gz XLZNDMWPZAAJCX-SNVBAGLBSA-N 0 0 305.761 3.112 20 10 DGCDRN O=C(CCCc1cc(F)ccc1F)NCc1ccc(O)c(O)c1 ZINC000778919397 623711411 /nfs/dbraw/zinc/71/14/11/623711411.db2.gz CWBNQSUCMUOBPK-UHFFFAOYSA-N 0 0 321.323 3.015 20 10 DGCDRN OC1CCN(c2ccc(CNc3ccccc3F)cc2)CC1 ZINC000876831339 623722886 /nfs/dbraw/zinc/72/28/86/623722886.db2.gz YEJJVQLTOSMYSU-UHFFFAOYSA-N 0 0 300.377 3.399 20 10 DGCDRN C[C@@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1ccc(F)cc1[O-] ZINC000779082175 623728393 /nfs/dbraw/zinc/72/83/93/623728393.db2.gz JVHABXLOSNWMBE-GFCCVEGCSA-N 0 0 314.360 3.353 20 10 DGCDRN Cc1cccc(O)c1CNc1ccc(N2CCOCC2)c(F)c1 ZINC000876859025 623730197 /nfs/dbraw/zinc/73/01/97/623730197.db2.gz ADIAVQPYPDWSSG-UHFFFAOYSA-N 0 0 316.376 3.288 20 10 DGCDRN COc1ccc(CC[NH2+]Cc2ccc(F)c(F)c2[O-])cc1OC ZINC000876894524 623737910 /nfs/dbraw/zinc/73/79/10/623737910.db2.gz UAKMSYYIPDIQKS-UHFFFAOYSA-N 0 0 323.339 3.020 20 10 DGCDRN COC(=O)[C@H](NCc1cc(C)c(C)cc1O)c1ccccc1F ZINC000779178305 623738968 /nfs/dbraw/zinc/73/89/68/623738968.db2.gz NCOHKXRZUREPKZ-QGZVFWFLSA-N 0 0 317.360 3.152 20 10 DGCDRN CCC[C@H](CC)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000126242853 623751873 /nfs/dbraw/zinc/75/18/73/623751873.db2.gz SWIDXYYMCXLPPV-INIZCTEOSA-N 0 0 301.434 3.441 20 10 DGCDRN Cc1cc(C(=O)NCc2ccc3c(c2)CCCN3C)ccc1O ZINC000779381633 623764952 /nfs/dbraw/zinc/76/49/52/623764952.db2.gz MCSUEGFVTCCEAX-UHFFFAOYSA-N 0 0 310.397 3.013 20 10 DGCDRN [O-]c1c(C[NH2+]CCCCNc2ccccn2)ccc(F)c1F ZINC000877006891 623765291 /nfs/dbraw/zinc/76/52/91/623765291.db2.gz VIYNAQKDUYTPIH-UHFFFAOYSA-N 0 0 307.344 3.047 20 10 DGCDRN CCCN(Cc1ccc(OC)cc1)C(=O)Cc1ccc(N)cc1 ZINC000877034251 623771381 /nfs/dbraw/zinc/77/13/81/623771381.db2.gz CRTXFIYDSUTDGJ-UHFFFAOYSA-N 0 0 312.413 3.259 20 10 DGCDRN [O-]c1c(C[NH2+]C[C@@H]2OCCc3ccccc32)ccc(F)c1F ZINC000877037515 623773039 /nfs/dbraw/zinc/77/30/39/623773039.db2.gz SPFDDMDEMSRMAJ-HNNXBMFYSA-N 0 0 305.324 3.074 20 10 DGCDRN Cc1ccc2c(c1)CCCN2C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779475084 623774261 /nfs/dbraw/zinc/77/42/61/623774261.db2.gz IFGWOMLPINJJNJ-TWGQIWQCSA-N 0 0 309.365 3.399 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc2ccccc2n1 ZINC000779499942 623775050 /nfs/dbraw/zinc/77/50/50/623775050.db2.gz JGVGFKJFDUIWHH-UXBLZVDNSA-N 0 0 306.321 3.298 20 10 DGCDRN CCN(Cc1ccc(C)cc1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779500614 623775078 /nfs/dbraw/zinc/77/50/78/623775078.db2.gz RNDFTJWRZVZCLU-PKNBQFBNSA-N 0 0 311.381 3.468 20 10 DGCDRN CCN(C(=O)/C=C\c1ccc(O)c(O)c1)c1cccc(OC)c1 ZINC000779501660 623776055 /nfs/dbraw/zinc/77/60/55/623776055.db2.gz WRNCYVIRPOLSIX-NTMALXAHSA-N 0 0 313.353 3.173 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCc2sccc2C1 ZINC000779515263 623776718 /nfs/dbraw/zinc/77/67/18/623776718.db2.gz PRPQCGACKMRPDG-GQCTYLIASA-N 0 0 315.394 3.148 20 10 DGCDRN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779518030 623776878 /nfs/dbraw/zinc/77/68/78/623776878.db2.gz VHIIDCLBKTZIFD-KRUHJCJQSA-N 0 0 309.365 3.161 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H]1c1cccc(F)c1 ZINC000779526683 623777343 /nfs/dbraw/zinc/77/73/43/623777343.db2.gz XFUSJHFMMNFRNN-KEDPEKRHSA-N 0 0 313.328 3.224 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc2cc[nH]c2n1 ZINC000779538360 623778199 /nfs/dbraw/zinc/77/81/99/623778199.db2.gz VOKQKYNIOIDOCU-UHFFFAOYSA-N 0 0 321.380 3.077 20 10 DGCDRN CO[C@@H](C)c1nc(C)c(C(=O)N(C)c2ccc(N)cc2)s1 ZINC000877077397 623785771 /nfs/dbraw/zinc/78/57/71/623785771.db2.gz GLFOQRZJSGXUBZ-JTQLQIEISA-N 0 0 305.403 3.018 20 10 DGCDRN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N(C)c2ccc(N)cc2)cc1 ZINC000877080968 623786520 /nfs/dbraw/zinc/78/65/20/623786520.db2.gz SFTMLRUQGQHHEF-YVEFUNNKSA-N 0 0 323.396 3.140 20 10 DGCDRN COC(=O)c1cccc(NNC(=S)Nc2cccc(C)c2)c1 ZINC000779726476 623791627 /nfs/dbraw/zinc/79/16/27/623791627.db2.gz FNKCGJIPRDPBEG-UHFFFAOYSA-N 0 0 315.398 3.095 20 10 DGCDRN CN1CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2[O-])[C@@H]1c1ccccc1 ZINC000877127444 623797536 /nfs/dbraw/zinc/79/75/36/623797536.db2.gz HDMDQDNOGXKUSN-WBVHZDCISA-N 0 0 318.367 3.205 20 10 DGCDRN CCN(CC)c1ccc(/C=C/c2ncncc2C(=O)OC)cc1 ZINC000790610173 625678238 /nfs/dbraw/zinc/67/82/38/625678238.db2.gz SVZCDZCOZKVTAE-DHZHZOJOSA-N 0 0 311.385 3.280 20 10 DGCDRN Cc1nnc(-c2ccccc2C(=O)N(C)Cc2ccccc2O)o1 ZINC000126437131 623834973 /nfs/dbraw/zinc/83/49/73/623834973.db2.gz VRXNKZZYNGKNCY-UHFFFAOYSA-N 0 0 323.352 3.023 20 10 DGCDRN COc1cccc(CNC(=O)Cc2cccc(C(F)F)c2)c1O ZINC000790632484 625680250 /nfs/dbraw/zinc/68/02/50/625680250.db2.gz NUJIWZHWEUPQBP-UHFFFAOYSA-N 0 0 321.323 3.197 20 10 DGCDRN [O-]c1c(C[NH+]2CCC(O)(c3ccccc3)CC2)ccc(F)c1F ZINC000877385587 623865442 /nfs/dbraw/zinc/86/54/42/623865442.db2.gz MCJKLQVCRBGZQF-UHFFFAOYSA-N 0 0 319.351 3.154 20 10 DGCDRN CCC1=C(C(=O)NCc2ccc(N(C)C)cc2C)CCCO1 ZINC000790648788 625683018 /nfs/dbraw/zinc/68/30/18/625683018.db2.gz RTXGLQQOAOZMPI-UHFFFAOYSA-N 0 0 302.418 3.152 20 10 DGCDRN OC1CCN(c2ccc(CN3CCCC[C@H]3C(F)F)cc2)CC1 ZINC000877500232 623913032 /nfs/dbraw/zinc/91/30/32/623913032.db2.gz PPNUVFHQELLTRD-KRWDZBQOSA-N 0 0 324.415 3.267 20 10 DGCDRN Cc1ccc(CN(C)Cc2nc(-c3cccs3)no2)c(O)c1 ZINC000877514966 623918299 /nfs/dbraw/zinc/91/82/99/623918299.db2.gz RTPSBFRJOFGBQE-UHFFFAOYSA-N 0 0 315.398 3.444 20 10 DGCDRN CCc1ccc([C@H](O)C[NH2+]Cc2ccc(F)c(F)c2[O-])cc1 ZINC000877514836 623918822 /nfs/dbraw/zinc/91/88/22/623918822.db2.gz QSDFTASWWDDFRP-OAHLLOKOSA-N 0 0 307.340 3.056 20 10 DGCDRN COCCC[N@H+](Cc1ccncc1)Cc1ccc(F)c(F)c1[O-] ZINC000877526038 623924399 /nfs/dbraw/zinc/92/43/99/623924399.db2.gz OVBLZVBBYYURBD-UHFFFAOYSA-N 0 0 322.355 3.104 20 10 DGCDRN [O-]c1c(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)ccc(F)c1F ZINC000877529241 623926003 /nfs/dbraw/zinc/92/60/03/623926003.db2.gz WUIFDTGNPOIJSI-QWHCGFSZSA-N 0 0 311.372 3.309 20 10 DGCDRN CN(C)C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccc(F)cc1 ZINC000877533370 623928988 /nfs/dbraw/zinc/92/89/88/623928988.db2.gz NRDTUQHQXQPZNC-HNNXBMFYSA-N 0 0 324.346 3.202 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)ccc(F)c1F ZINC000877567328 623945330 /nfs/dbraw/zinc/94/53/30/623945330.db2.gz JQCJTSXFSRSKJI-HIFRSBDPSA-N 0 0 323.383 3.452 20 10 DGCDRN C[C@H]([NH2+]C[C@@](C)(O)C1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000790703841 625688114 /nfs/dbraw/zinc/68/81/14/625688114.db2.gz UQIUGPIBIKKEMV-YVEFUNNKSA-N 0 0 322.405 3.282 20 10 DGCDRN C[N@H+](Cc1ccc(F)c(F)c1[O-])C[C@@](C)(O)c1ccccc1 ZINC000877599317 623958308 /nfs/dbraw/zinc/95/83/08/623958308.db2.gz VQKQDQDPYSDSLR-QGZVFWFLSA-N 0 0 307.340 3.010 20 10 DGCDRN CCCOc1ccc(CN[C@@](C)(CCF)C(=O)OC)cc1C ZINC000877632061 623970662 /nfs/dbraw/zinc/97/06/62/623970662.db2.gz PQJWZAVYKKFDER-KRWDZBQOSA-N 0 0 311.397 3.165 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1ccccc1-n1cncn1 ZINC000780766109 623981539 /nfs/dbraw/zinc/98/15/39/623981539.db2.gz GDEVJNLNPCQOHM-UHFFFAOYSA-N 0 0 320.396 3.229 20 10 DGCDRN CN(Cc1c(Cl)nc(Cl)n1C)c1ccc2c(c1)OCO2 ZINC000780778423 623982508 /nfs/dbraw/zinc/98/25/08/623982508.db2.gz HYXDBRJYOJCIFA-UHFFFAOYSA-N 0 0 314.172 3.092 20 10 DGCDRN C[C@H](NC(=O)c1cccc(O)c1O)c1nc2ccccc2s1 ZINC000790717918 625690161 /nfs/dbraw/zinc/69/01/61/625690161.db2.gz FJVGHTFYKDKNPE-VIFPVBQESA-N 0 0 314.366 3.199 20 10 DGCDRN CCN(C(=O)c1cccc(O)c1O)[C@@H](C)c1ccc(F)cc1 ZINC000790744276 625692114 /nfs/dbraw/zinc/69/21/14/625692114.db2.gz AMAJXWUOSPAHDR-NSHDSACASA-N 0 0 303.333 3.460 20 10 DGCDRN Cc1ccc(C(=O)NCc2c(F)cccc2Cl)c(O)c1O ZINC000780880813 623993276 /nfs/dbraw/zinc/99/32/76/623993276.db2.gz ZCYPWLASTUJXAX-UHFFFAOYSA-N 0 0 309.724 3.129 20 10 DGCDRN CC[C@@H](NC(=O)c1ccc(C)c(O)c1O)c1ccccc1OC ZINC000780883433 623993462 /nfs/dbraw/zinc/99/34/62/623993462.db2.gz RWTQKJYNBBMMPF-CQSZACIVSA-N 0 0 315.369 3.296 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cccc2c1CCOC2 ZINC000877697110 623994918 /nfs/dbraw/zinc/99/49/18/623994918.db2.gz BCBDOTJOLNDXCI-UHFFFAOYSA-N 0 0 303.789 3.408 20 10 DGCDRN Cc1ccc(C(=O)N(CCc2ccccc2)C2CC2)c(O)c1O ZINC000780915208 623997889 /nfs/dbraw/zinc/99/78/89/623997889.db2.gz JUONIYJGRMEODU-UHFFFAOYSA-N 0 0 311.381 3.254 20 10 DGCDRN Cc1ccc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)c(O)c1O ZINC000780921388 623998020 /nfs/dbraw/zinc/99/80/20/623998020.db2.gz ACNMSQTUNKWEAI-UHFFFAOYSA-N 0 0 315.354 3.110 20 10 DGCDRN Cc1cc(CN2Cc3cccc(O)c3C2)ncc1Br ZINC000877703245 623998181 /nfs/dbraw/zinc/99/81/81/623998181.db2.gz YAWZRGBMDJXWBH-UHFFFAOYSA-N 0 0 319.202 3.374 20 10 DGCDRN Cc1ccc(C(=O)NC[C@@H](C)c2ccc(F)cc2F)c(O)c1O ZINC000780950932 624002696 /nfs/dbraw/zinc/00/26/96/624002696.db2.gz CNHSSTPBAIEPNE-SNVBAGLBSA-N 0 0 321.323 3.218 20 10 DGCDRN COc1ccc(O)c(CNc2cccc3c2OCCCO3)c1 ZINC000877768005 624028379 /nfs/dbraw/zinc/02/83/79/624028379.db2.gz GQEYJGKKMCQGQE-UHFFFAOYSA-N 0 0 301.342 3.174 20 10 DGCDRN COc1ccc(O)c(CNC(=O)C23CC(c4ccccc4)(C2)C3)c1 ZINC000790787840 625697590 /nfs/dbraw/zinc/69/75/90/625697590.db2.gz OMCHJKFTSKMTGF-UHFFFAOYSA-N 0 0 323.392 3.139 20 10 DGCDRN CN1c2ccccc2C(=O)N[C@@H]1c1cc(Cl)c(F)cc1O ZINC000877842919 624065857 /nfs/dbraw/zinc/06/58/57/624065857.db2.gz LULLXKGJZZXSNS-AWEZNQCLSA-N 0 0 306.724 3.063 20 10 DGCDRN Cc1cc(N(C)C)ccc1[C@H]1NC(C)(C)C(=O)N1CC(C)(C)C ZINC000877856512 624070321 /nfs/dbraw/zinc/07/03/21/624070321.db2.gz DFUZHXMGCJSRMC-INIZCTEOSA-N 0 0 317.477 3.316 20 10 DGCDRN Cc1cc(N(C)C)ccc1[C@H]1NC(C)(C)C(=O)N1c1ccccc1 ZINC000877857430 624071594 /nfs/dbraw/zinc/07/15/94/624071594.db2.gz RAKXZIYVUKIWRG-SFHVURJKSA-N 0 0 323.440 3.475 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1cccc(Cl)c1[O-] ZINC000806148756 624079571 /nfs/dbraw/zinc/07/95/71/624079571.db2.gz YAQMGBGJDIKWKY-HKCMKHECSA-N 0 0 322.836 3.096 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000781531390 624087810 /nfs/dbraw/zinc/08/78/10/624087810.db2.gz AMRLATAGVOJMRG-JTQLQIEISA-N 0 0 309.715 3.388 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1nccn1CC(F)F ZINC000877943886 624103346 /nfs/dbraw/zinc/10/33/46/624103346.db2.gz FGQYCMZPCQZETP-UHFFFAOYSA-N 0 0 307.344 3.110 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CCO[C@@H](C)C2)c1 ZINC000781636928 624111813 /nfs/dbraw/zinc/11/18/13/624111813.db2.gz UWNBZISDQLFEJY-CMPLNLGQSA-N 0 0 314.223 3.120 20 10 DGCDRN C[C@@H](c1ccncc1)N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000126849329 624139186 /nfs/dbraw/zinc/13/91/86/624139186.db2.gz VUVLENMCBXDJSA-AWEZNQCLSA-N 0 0 312.417 3.050 20 10 DGCDRN Cc1cc(Br)c(O)c(CN2CCOC(C)(C)C2)c1 ZINC000781902220 624168043 /nfs/dbraw/zinc/16/80/43/624168043.db2.gz OIFATNWGBACTJX-UHFFFAOYSA-N 0 0 314.223 3.074 20 10 DGCDRN COc1cc(N(C)C[C@@H]2C[C@H]3CCC[C@@H]3O2)cc(OC)c1OC ZINC000878128540 624181208 /nfs/dbraw/zinc/18/12/08/624181208.db2.gz FRCGOPAZUPXFMY-SNPRPXQTSA-N 0 0 321.417 3.106 20 10 DGCDRN CC[C@@H]1C[C@H](CC(=O)N[C@H](C)c2cc(OC)ccc2O)CCO1 ZINC000782016189 624187909 /nfs/dbraw/zinc/18/79/09/624187909.db2.gz YYENGCXVCGAFEH-MGPQQGTHSA-N 0 0 321.417 3.173 20 10 DGCDRN CC[C@@](C)(CO)NC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000782024874 624190274 /nfs/dbraw/zinc/19/02/74/624190274.db2.gz GCSQONMIKNVYNS-IBGZPJMESA-N 0 0 314.429 3.293 20 10 DGCDRN COc1cccc(CNC(=O)CC(C)(C)CC(F)(F)F)c1O ZINC000878666502 624335886 /nfs/dbraw/zinc/33/58/86/624335886.db2.gz CTMVGKWBTYFZAJ-UHFFFAOYSA-N 0 0 319.323 3.386 20 10 DGCDRN CC[C@H](CSc1ccccc1)NC(=O)c1cccc(O)c1O ZINC000790904247 625713922 /nfs/dbraw/zinc/71/39/22/625713922.db2.gz STEFYGHARSYPDY-GFCCVEGCSA-N 0 0 317.410 3.399 20 10 DGCDRN Cc1coc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000878781156 624358438 /nfs/dbraw/zinc/35/84/38/624358438.db2.gz WDXVMRVHDIJFLW-OAHLLOKOSA-N 0 0 315.369 3.115 20 10 DGCDRN CC(C)Cn1cc(NC(=O)N[C@@H](C)c2ccccc2O)cn1 ZINC000878831913 624368649 /nfs/dbraw/zinc/36/86/49/624368649.db2.gz MUHYTPNUDZYEFD-LBPRGKRZSA-N 0 0 302.378 3.127 20 10 DGCDRN COc1nc(C)cc(C)c1CN(C)c1ccc2c(c1)OCO2 ZINC000805748226 624374166 /nfs/dbraw/zinc/37/41/66/624374166.db2.gz MGSRPLATDUGMPX-UHFFFAOYSA-N 0 0 300.358 3.072 20 10 DGCDRN C[C@@H](N[C@@H](C)c1ncc(Br)cn1)c1ccccc1O ZINC000805749220 624378117 /nfs/dbraw/zinc/37/81/17/624378117.db2.gz WQGUVPNQGAOWHK-ZJUUUORDSA-N 0 0 322.206 3.357 20 10 DGCDRN Cn1cnc(-c2ccc(NCc3c(O)cccc3Cl)cc2)n1 ZINC000783645478 624379132 /nfs/dbraw/zinc/37/91/32/624379132.db2.gz IELUKHUOIUIMOP-UHFFFAOYSA-N 0 0 314.776 3.453 20 10 DGCDRN CC(C)(C)Cc1csc(NC(=O)c2cccc(O)c2O)n1 ZINC000790919313 625715951 /nfs/dbraw/zinc/71/59/51/625715951.db2.gz MGTWZAUMQKWBKR-UHFFFAOYSA-N 0 0 306.387 3.395 20 10 DGCDRN CN1CCc2cc(/C=C3/N=C(c4cccs4)OC3=O)ccc21 ZINC000129646915 625716987 /nfs/dbraw/zinc/71/69/87/625716987.db2.gz ZIUGPWKBVWUUQP-JLHYYAGUSA-N 0 0 310.378 3.085 20 10 DGCDRN Cc1c(NC(=O)N[C@@H](C)c2ccccc2O)cnn1CC(C)C ZINC000879070085 624420432 /nfs/dbraw/zinc/42/04/32/624420432.db2.gz NMRVYYMXILAHEV-LBPRGKRZSA-N 0 0 316.405 3.436 20 10 DGCDRN CCOc1ccc(N(C[C@@H](OC)[C@@H]2CCOC2)CC2CC2)cc1 ZINC000879117064 624431319 /nfs/dbraw/zinc/43/13/19/624431319.db2.gz IJURXKFFRCBSCJ-VQIMIIECSA-N 0 0 319.445 3.353 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000784106255 624438619 /nfs/dbraw/zinc/43/86/19/624438619.db2.gz LZNSYKWSFQTDIM-ONEGZZNKSA-N 0 0 323.352 3.209 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCCSc1ccccc1 ZINC000784281545 624478999 /nfs/dbraw/zinc/47/89/99/624478999.db2.gz RRWMLOJTZLMYSV-VQHVLOKHSA-N 0 0 316.378 3.447 20 10 DGCDRN CC1(C)CCCC[C@H]1CC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784336493 624503695 /nfs/dbraw/zinc/50/36/95/624503695.db2.gz FAYKZQHHGZDGKR-ZDUSSCGKSA-N 0 0 320.385 3.430 20 10 DGCDRN COC(=O)COc1ccc(N(C)C[C@H](C)c2ccccc2)cc1 ZINC000784560466 624547791 /nfs/dbraw/zinc/54/77/91/624547791.db2.gz XJQUZZFDFOPTQA-HNNXBMFYSA-N 0 0 313.397 3.478 20 10 DGCDRN CC(C)Cc1ncc(NC(=O)N[C@H](C)c2ccccc2O)cn1 ZINC000879436886 624547998 /nfs/dbraw/zinc/54/79/98/624547998.db2.gz BASBOOZOBNNSRL-GFCCVEGCSA-N 0 0 314.389 3.263 20 10 DGCDRN Cn1c(-c2ccccc2)cnc1SC[C@H]1COC(C)(C)O1 ZINC000785029365 624618101 /nfs/dbraw/zinc/61/81/01/624618101.db2.gz MKTIXYFBBRWWEQ-CYBMUJFWSA-N 0 0 304.415 3.331 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC(C)(C)O2)cc1F ZINC000785079218 624629818 /nfs/dbraw/zinc/62/98/18/624629818.db2.gz XFLVGALFIVFEFR-INIZCTEOSA-N 0 0 322.424 3.246 20 10 DGCDRN COc1ccc(N(C)C[C@@H](C)NC(=O)OC(C)(C)C)cc1F ZINC000785465072 624671186 /nfs/dbraw/zinc/67/11/86/624671186.db2.gz APWVTRKLGFDPFQ-LLVKDONJSA-N 0 0 312.385 3.184 20 10 DGCDRN CCOc1ccc(O)c(CNc2ccc3ccc(=O)n(C)c3c2)c1 ZINC000785534884 624682959 /nfs/dbraw/zinc/68/29/59/624682959.db2.gz PDXPPVPAAXPJCW-UHFFFAOYSA-N 0 0 324.380 3.255 20 10 DGCDRN COc1ccc(CNC(=O)CC(C)(C)CC(F)F)c(O)c1 ZINC000879846421 624702144 /nfs/dbraw/zinc/70/21/44/624702144.db2.gz AHKXIDHYLJVMHZ-UHFFFAOYSA-N 0 0 301.333 3.089 20 10 DGCDRN C[C@H]([NH2+]CCCCO)c1cc(Br)cc(Cl)c1[O-] ZINC000786940958 624966229 /nfs/dbraw/zinc/96/62/29/624966229.db2.gz MAMKKEUNRKFILQ-QMMMGPOBSA-N 0 0 322.630 3.231 20 10 DGCDRN Cc1c(N[C@H](C)c2ccccc2O)cccc1N1CCNC1=O ZINC000786985166 624970207 /nfs/dbraw/zinc/97/02/07/624970207.db2.gz LZXRPXOWUPTNTC-CYBMUJFWSA-N 0 0 311.385 3.403 20 10 DGCDRN Cc1cc(C)cc(NC(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000128504693 624980876 /nfs/dbraw/zinc/98/08/76/624980876.db2.gz MRPFDIKMIKZHHV-UHFFFAOYSA-N 0 0 300.358 3.079 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Nc1ccnn1CC1CCC1 ZINC000880657442 624994881 /nfs/dbraw/zinc/99/48/81/624994881.db2.gz LOQPUUWVMUGBES-UHFFFAOYSA-N 0 0 314.389 3.053 20 10 DGCDRN CC(C)n1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000787298487 624998495 /nfs/dbraw/zinc/99/84/95/624998495.db2.gz AKTPFKZOKPRVPG-ZDUSSCGKSA-N 0 0 300.406 3.021 20 10 DGCDRN NC(=O)N1CCc2ccc(NCc3cccc(Cl)c3O)cc21 ZINC000787315332 625000509 /nfs/dbraw/zinc/00/05/09/625000509.db2.gz VXRDRTNJWIMDMU-UHFFFAOYSA-N 0 0 317.776 3.099 20 10 DGCDRN COC(C)(C)CC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000787428491 625009796 /nfs/dbraw/zinc/00/97/96/625009796.db2.gz XJYTYAZPMAOJDO-UHFFFAOYSA-N 0 0 317.385 3.329 20 10 DGCDRN Cc1cc(C)c2c(N)c(C(=O)OCC[C@H]3CCCO3)sc2n1 ZINC000787607698 625023658 /nfs/dbraw/zinc/02/36/58/625023658.db2.gz FYELGFDVVVBZBM-LLVKDONJSA-N 0 0 320.414 3.221 20 10 DGCDRN Cc1cc(C(=O)COc2cnn(C)c2)c(C)n1-c1cccc(C)c1 ZINC000788506225 625201265 /nfs/dbraw/zinc/20/12/65/625201265.db2.gz RQYOZQPKJXCUHZ-UHFFFAOYSA-N 0 0 323.396 3.398 20 10 DGCDRN CC(=O)CC(C)(C)CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000788534380 625208876 /nfs/dbraw/zinc/20/88/76/625208876.db2.gz OVQVCWNIRSCIDY-AWEZNQCLSA-N 0 0 304.434 3.325 20 10 DGCDRN Cc1nccn1CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788584416 625222103 /nfs/dbraw/zinc/22/21/03/625222103.db2.gz OYHKKGIQKJIEMS-SNVBAGLBSA-N 0 0 313.323 3.267 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])[C@@H]1CCOC1 ZINC000788816549 625275337 /nfs/dbraw/zinc/27/53/37/625275337.db2.gz SNTMPQGMKYFDFN-OUAUKWLOSA-N 0 0 303.324 3.487 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788816548 625275729 /nfs/dbraw/zinc/27/57/29/625275729.db2.gz SNTMPQGMKYFDFN-GARJFASQSA-N 0 0 303.324 3.487 20 10 DGCDRN O=C1CCN1c1cccc(NCc2cccc(Cl)c2O)c1 ZINC000790943015 625719643 /nfs/dbraw/zinc/71/96/43/625719643.db2.gz GGEZOFQVHFUYMB-UHFFFAOYSA-N 0 0 302.761 3.394 20 10 DGCDRN Cc1csc(CC[NH2+]Cc2c([O-])ccc(Cl)c2F)n1 ZINC000790950619 625720039 /nfs/dbraw/zinc/72/00/39/625720039.db2.gz QEJGXMAMMVWRDB-UHFFFAOYSA-N 0 0 300.786 3.282 20 10 DGCDRN C[C@H]1CCCCN1CC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790949750 625720676 /nfs/dbraw/zinc/72/06/76/625720676.db2.gz OMXOUAKFDDLDMB-NSHDSACASA-N 0 0 300.805 3.149 20 10 DGCDRN CC1(C)[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)[C@H]2CCCO[C@H]21 ZINC000790973475 625727087 /nfs/dbraw/zinc/72/70/87/625727087.db2.gz PEYKDIDUACQPFB-DFKRKDTASA-N 0 0 313.800 3.478 20 10 DGCDRN CC[C@@](C)(CC(=O)OC)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790973584 625727119 /nfs/dbraw/zinc/72/71/19/625727119.db2.gz ODSFRZRVWMRQCU-AWEZNQCLSA-N 0 0 303.761 3.006 20 10 DGCDRN Cc1cccc(NCC[NH2+]Cc2c([O-])ccc(Cl)c2F)n1 ZINC000790975043 625727202 /nfs/dbraw/zinc/72/72/02/625727202.db2.gz ZICXDCAJINRBEF-UHFFFAOYSA-N 0 0 309.772 3.090 20 10 DGCDRN CC(C)[C@H]1C[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CCO1 ZINC000790982729 625729979 /nfs/dbraw/zinc/72/99/79/625729979.db2.gz XNACOSFLAXEYFG-IINYFYTJSA-N 0 0 301.789 3.478 20 10 DGCDRN C[C@]1(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CCO[C@@H]1C1CC1 ZINC000790990918 625732676 /nfs/dbraw/zinc/73/26/76/625732676.db2.gz NIYHYKLIBAZOLH-HZPDHXFCSA-N 0 0 313.800 3.480 20 10 DGCDRN CCNC(=O)Nc1cccc(NC(=O)C2=CC(=O)CS2)c1C ZINC000791013198 625737475 /nfs/dbraw/zinc/73/74/75/625737475.db2.gz UKKUFVPCJNUCEX-UHFFFAOYSA-N 0 0 319.386 3.156 20 10 DGCDRN O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)C1=CC(=O)CS1 ZINC000791018015 625739586 /nfs/dbraw/zinc/73/95/86/625739586.db2.gz PPBHTDIAQMHDRA-NSHDSACASA-N 0 0 319.279 3.468 20 10 DGCDRN C[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ncccc1F ZINC000791308257 625774329 /nfs/dbraw/zinc/77/43/29/625774329.db2.gz SLCGAQOPTQIOAW-CYBMUJFWSA-N 0 0 315.392 3.049 20 10 DGCDRN CC[C@H](C)n1ncc(NC(=O)c2ccc(C)c(O)c2O)c1C ZINC000791585938 625829619 /nfs/dbraw/zinc/82/96/19/625829619.db2.gz WRWOUOJDXBFEAC-JTQLQIEISA-N 0 0 303.362 3.134 20 10 DGCDRN CN1CCc2cc([C@H]3Nc4cccc(Cl)c4C(=O)N3)ccc21 ZINC000130293196 625835929 /nfs/dbraw/zinc/83/59/29/625835929.db2.gz XHMAUDZGNDRTLH-INIZCTEOSA-N 0 0 313.788 3.186 20 10 DGCDRN CCCCn1ncc(NC(=O)c2cccc(O)c2O)c1C(C)C ZINC000791640632 625838748 /nfs/dbraw/zinc/83/87/48/625838748.db2.gz DSXCEDKSEJWCPF-UHFFFAOYSA-N 0 0 317.389 3.470 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000882887605 625846137 /nfs/dbraw/zinc/84/61/37/625846137.db2.gz AGRACLHLGKJBFY-ZDUSSCGKSA-N 0 0 318.367 3.287 20 10 DGCDRN COc1ccccc1OCCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882979016 625881638 /nfs/dbraw/zinc/88/16/38/625881638.db2.gz KWVCKKSHYZNLQO-UHFFFAOYSA-N 0 0 323.339 3.238 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1ccc(C2OCCO2)cc1 ZINC000882996601 625890417 /nfs/dbraw/zinc/89/04/17/625890417.db2.gz YMRVFTBCORBAPP-UHFFFAOYSA-N 0 0 321.323 3.006 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@@H](O)c1ccc(F)cc1 ZINC000883003791 625895057 /nfs/dbraw/zinc/89/50/57/625895057.db2.gz HXONSJOEPJETFI-BJOHPYRUSA-N 0 0 311.303 3.021 20 10 DGCDRN C[C@@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883079490 625919022 /nfs/dbraw/zinc/91/90/22/625919022.db2.gz VTHGHLNFPXBRJP-MEDUHNTESA-N 0 0 307.340 3.272 20 10 DGCDRN Cc1ccccc1-c1nc(CNCc2ccc3c(c2)CCO3)no1 ZINC000792175820 625920488 /nfs/dbraw/zinc/92/04/88/625920488.db2.gz WZUYLGRFWYCGNT-UHFFFAOYSA-N 0 0 321.380 3.270 20 10 DGCDRN CC[C@H](C)n1ncc(NCc2cc(OC)c(OC)cc2O)c1C ZINC000792193114 625922870 /nfs/dbraw/zinc/92/28/70/625922870.db2.gz QQYLBPYRAYKRIY-NSHDSACASA-N 0 0 319.405 3.497 20 10 DGCDRN Oc1c(F)cc(F)cc1CNc1ccc(OC2COC2)cc1 ZINC000883098578 625926851 /nfs/dbraw/zinc/92/68/51/625926851.db2.gz SMTMCMWAUCCBHD-UHFFFAOYSA-N 0 0 307.296 3.060 20 10 DGCDRN Cc1c(NCc2cc(F)cc(F)c2O)cnn1C1CCOCC1 ZINC000883131522 625936514 /nfs/dbraw/zinc/93/65/14/625936514.db2.gz GHHFNRPRLVMBGG-UHFFFAOYSA-N 0 0 323.343 3.139 20 10 DGCDRN CC[C@H](COCC(F)(F)F)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883132061 625937929 /nfs/dbraw/zinc/93/79/29/625937929.db2.gz DVQPXTDHOONHKY-SNVBAGLBSA-N 0 0 313.266 3.118 20 10 DGCDRN CN(C(=O)/C=C\c1ccc(O)c(O)c1)c1ccc2cc[nH]c2c1 ZINC000792579003 625962205 /nfs/dbraw/zinc/96/22/05/625962205.db2.gz SEVVRIFHUBTMJV-CLTKARDFSA-N 0 0 308.337 3.255 20 10 DGCDRN C[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)C1CCC1 ZINC000131199716 625963241 /nfs/dbraw/zinc/96/32/41/625963241.db2.gz BAZPJYQLBOSRGA-LBPRGKRZSA-N 0 0 302.418 3.259 20 10 DGCDRN CC[C@@H]([NH2+]CCCNc1ccccn1)c1ccc(F)cc1[O-] ZINC000796794955 626083720 /nfs/dbraw/zinc/08/37/20/626083720.db2.gz ZJIKKHVIKKRHEU-OAHLLOKOSA-N 0 0 303.381 3.469 20 10 DGCDRN CC[C@H]([NH2+][C@@H](CO)c1ccccc1OC)c1ccc(F)cc1[O-] ZINC000796818462 626086112 /nfs/dbraw/zinc/08/61/12/626086112.db2.gz UTHJHTZNBBGNRD-HOTGVXAUSA-N 0 0 319.376 3.314 20 10 DGCDRN CC[C@H](Nc1cccc(C(N)=O)c1OC)c1ccc(F)cc1O ZINC000796935912 626097354 /nfs/dbraw/zinc/09/73/54/626097354.db2.gz HTGBJKJJSWNXLA-ZDUSSCGKSA-N 0 0 318.348 3.202 20 10 DGCDRN CC[C@@H]([NH2+][C@H](CO)Cc1ccc(C)cc1)c1ccc(F)cc1[O-] ZINC000796959524 626100123 /nfs/dbraw/zinc/10/01/23/626100123.db2.gz RADZUEXAQMRSDG-FUHWJXTLSA-N 0 0 317.404 3.484 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC(C)=C[C@@H](C)C1 ZINC000797461169 626144762 /nfs/dbraw/zinc/14/47/62/626144762.db2.gz XORZYLKZUJZXNC-CYBMUJFWSA-N 0 0 301.434 3.169 20 10 DGCDRN CCc1cccc(NC(=O)NCc2ccc(OC)cc2O)c1 ZINC000797607628 626159268 /nfs/dbraw/zinc/15/92/68/626159268.db2.gz JWYMTSYHOATLFS-UHFFFAOYSA-N 0 0 300.358 3.285 20 10 DGCDRN C/C(=C/Cl)CSCC(=O)NCc1ccc(N(C)C)cc1 ZINC000797811776 626170968 /nfs/dbraw/zinc/17/09/68/626170968.db2.gz PAEQWCOFVDQIDE-WQLSENKSSA-N 0 0 312.866 3.245 20 10 DGCDRN COc1ccc(CNc2ncc(C)cc2Br)c(O)c1 ZINC000797830391 626172456 /nfs/dbraw/zinc/17/24/56/626172456.db2.gz FLGWKHWYDWGSNN-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN CSc1ccc(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000797878198 626176550 /nfs/dbraw/zinc/17/65/50/626176550.db2.gz PFIPOFRNHONMOY-UHFFFAOYSA-N 0 0 318.398 3.355 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CCC=C(C)C2)cc1 ZINC000798057555 626191160 /nfs/dbraw/zinc/19/11/60/626191160.db2.gz SHLBIHBXXAHYFB-UHFFFAOYSA-N 0 0 301.434 3.394 20 10 DGCDRN C[C@H](CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])[S@](C)=O ZINC000798181490 626200502 /nfs/dbraw/zinc/20/05/02/626200502.db2.gz KPLBNRJYKBVIFH-ULQSSITMSA-N 0 0 323.380 3.219 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccn2ccnc2c1 ZINC000798197913 626201340 /nfs/dbraw/zinc/20/13/40/626201340.db2.gz ITDGFNPOQYZDJP-UHFFFAOYSA-N 0 0 324.384 3.484 20 10 DGCDRN CN1C(=O)COc2cc(NCc3cccc(Cl)c3O)ccc21 ZINC000798962762 626263201 /nfs/dbraw/zinc/26/32/01/626263201.db2.gz YSQBNKUDNLDPKS-UHFFFAOYSA-N 0 0 318.760 3.013 20 10 DGCDRN Cc1ncc(NC(=O)N(C)Cc2ccccc2O)c(C2CC2)n1 ZINC000799231910 626283130 /nfs/dbraw/zinc/28/31/30/626283130.db2.gz NDAYOGDHELUZDJ-UHFFFAOYSA-N 0 0 312.373 3.032 20 10 DGCDRN CNC(=S)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000799898858 626334564 /nfs/dbraw/zinc/33/45/64/626334564.db2.gz WZRMPKKQDZYXTO-NSHDSACASA-N 0 0 311.882 3.170 20 10 DGCDRN O=C(COc1ccsc1)NCc1c(O)ccc2c1CCCC2 ZINC000800518608 626365944 /nfs/dbraw/zinc/36/59/44/626365944.db2.gz FYJPASDWCSHDJX-UHFFFAOYSA-N 0 0 317.410 3.028 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Cc1cccs1 ZINC000839914165 626369780 /nfs/dbraw/zinc/36/97/80/626369780.db2.gz RJHMDMUOUSRYIQ-CQSZACIVSA-N 0 0 316.470 3.412 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCC1CCC(F)(F)CC1 ZINC000800640566 626370097 /nfs/dbraw/zinc/37/00/97/626370097.db2.gz GWYLPDKHFYQFNC-RQOWECAXSA-N 0 0 311.328 3.053 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C[C@@H]1C=CCC1 ZINC000839915825 626370474 /nfs/dbraw/zinc/37/04/74/626370474.db2.gz LFORZSYGGGOHEZ-JKSUJKDBSA-N 0 0 300.446 3.465 20 10 DGCDRN C/C(=C/C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)C1CC1 ZINC000839917830 626370885 /nfs/dbraw/zinc/37/08/85/626370885.db2.gz ICGHWDMQKCCGML-QKXCFHHRSA-N 0 0 300.446 3.465 20 10 DGCDRN C/C(=C/C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)C1CC1 ZINC000839917831 626371015 /nfs/dbraw/zinc/37/10/15/626371015.db2.gz ICGHWDMQKCCGML-SZGZABIGSA-N 0 0 300.446 3.465 20 10 DGCDRN CSC[C@H](C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839917870 626371324 /nfs/dbraw/zinc/37/13/24/626371324.db2.gz IMBWZRXRRAPOPN-UONOGXRCSA-N 0 0 308.491 3.107 20 10 DGCDRN Cc1nc(C)c(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)o1 ZINC000839918427 626371375 /nfs/dbraw/zinc/37/13/75/626371375.db2.gz MAXBPGLTUCKIGD-GFCCVEGCSA-N 0 0 315.417 3.027 20 10 DGCDRN O=C(NCCCc1c[nH]c2ccc(F)cc12)C1=CC(=O)CS1 ZINC000800700556 626371981 /nfs/dbraw/zinc/37/19/81/626371981.db2.gz JZQXUXPGUPZDLX-UHFFFAOYSA-N 0 0 318.373 3.437 20 10 DGCDRN Cc1cc(-c2nnc(N3CCCC3)n2C)c(C)n1-c1ccccc1 ZINC000800727782 626372491 /nfs/dbraw/zinc/37/24/91/626372491.db2.gz OMLBYQPUYVHBAK-UHFFFAOYSA-N 0 0 321.428 3.490 20 10 DGCDRN CSC1(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000839920763 626373663 /nfs/dbraw/zinc/37/36/63/626373663.db2.gz DSEMMBMQGIKLCK-CYBMUJFWSA-N 0 0 306.475 3.004 20 10 DGCDRN COCCC(C)(C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839920808 626373707 /nfs/dbraw/zinc/37/37/07/626373707.db2.gz UMIQHRULTCESIC-OAHLLOKOSA-N 0 0 320.477 3.171 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1CCC(C)(C)O1 ZINC000839922473 626377756 /nfs/dbraw/zinc/37/77/56/626377756.db2.gz VQPTVHLTNUNXSE-RHSMWYFYSA-N 0 0 318.461 3.066 20 10 DGCDRN Cc1cc(O)ccc1NS(=O)(=O)c1cnc2ccccc2c1 ZINC000800837133 626378303 /nfs/dbraw/zinc/37/83/03/626378303.db2.gz PDIGNGBBIYZMOJ-UHFFFAOYSA-N 0 0 314.366 3.050 20 10 DGCDRN CO[C@@H](C)c1nsc(N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000800864764 626380517 /nfs/dbraw/zinc/38/05/17/626380517.db2.gz PXZGLEBXCYQSED-MNOVXSKESA-N 0 0 306.435 3.485 20 10 DGCDRN CO[C@@H](COC(=O)c1cccc(O)c1O)c1ccc(Cl)cc1 ZINC000801311373 626400776 /nfs/dbraw/zinc/40/07/76/626400776.db2.gz KDTMIBHFOXQBMF-AWEZNQCLSA-N 0 0 322.744 3.296 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCCOC(C)C ZINC000802290779 626557663 /nfs/dbraw/zinc/55/76/63/626557663.db2.gz YQKRQGHZUOXDOZ-UHFFFAOYSA-N 0 0 308.422 3.129 20 10 DGCDRN C[C@@H]1CC(CCNC(=O)N(C)Cc2ccccc2O)C[C@@H](C)O1 ZINC000802508860 626562736 /nfs/dbraw/zinc/56/27/36/626562736.db2.gz LPRHBXPIRVAIFR-ZIAGYGMSSA-N 0 0 320.433 3.127 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2c(c1)CCC=C2 ZINC000803089764 626594047 /nfs/dbraw/zinc/59/40/47/626594047.db2.gz IKVZNIVYEKQSQV-ZDUSSCGKSA-N 0 0 323.392 3.418 20 10 DGCDRN COc1ccc(CNC(=O)c2ccc3nccc(C)c3c2)c(O)c1 ZINC000803292558 626602748 /nfs/dbraw/zinc/60/27/48/626602748.db2.gz QQNUUIYXBQNELM-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC=C(c2ccccc2)C1 ZINC000803682749 626627368 /nfs/dbraw/zinc/62/73/68/626627368.db2.gz ZXQYPFPEZMYILB-LUAWRHEFSA-N 0 0 321.376 3.427 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CC[C@@H]2CCCC2(F)F)c1 ZINC000883266602 626630026 /nfs/dbraw/zinc/63/00/26/626630026.db2.gz FCGUACLLMFGQMI-NSHDSACASA-N 0 0 300.305 3.216 20 10 DGCDRN CC[C@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1ccc(F)cc1[O-] ZINC000883276741 626633936 /nfs/dbraw/zinc/63/39/36/626633936.db2.gz OXYSJWBSXBJEMU-CJNGLKHVSA-N 0 0 307.365 3.016 20 10 DGCDRN CN(C)c1ccc(/C=C/CNC2(c3ncccn3)CCC2)cc1 ZINC000883306545 626640860 /nfs/dbraw/zinc/64/08/60/626640860.db2.gz XZJWHKSOLYDFDW-ZZXKWVIFSA-N 0 0 308.429 3.225 20 10 DGCDRN Cc1nc(COc2ccc(NCc3ccccc3O)cc2)no1 ZINC000131515625 626646737 /nfs/dbraw/zinc/64/67/37/626646737.db2.gz JQENQALRGNLPOJ-UHFFFAOYSA-N 0 0 311.341 3.275 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCC[C@]12CCCO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000883366284 626663469 /nfs/dbraw/zinc/66/34/69/626663469.db2.gz QDLDRRHYQPBNSC-XZJROXQQSA-N 0 0 306.362 3.053 20 10 DGCDRN C[C@H]1CN(CN2CCCc3cc(OC(F)F)ccc32)C(=O)[C@@H]1C ZINC000840037960 626666513 /nfs/dbraw/zinc/66/65/13/626666513.db2.gz ZJBAXZBBECGTOK-NWDGAFQWSA-N 0 0 324.371 3.113 20 10 DGCDRN CN(C)c1ccc(CN(c2ccnc3c2cnn3C)C2CC2)cc1 ZINC000804362595 626673652 /nfs/dbraw/zinc/67/36/52/626673652.db2.gz ICJYEDOKFZLGFI-UHFFFAOYSA-N 0 0 321.428 3.203 20 10 DGCDRN C[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(F)F ZINC000883406397 626674722 /nfs/dbraw/zinc/67/47/22/626674722.db2.gz PSMIPGGJUQXYPP-LLVKDONJSA-N 0 0 313.348 3.328 20 10 DGCDRN Nc1ccc(NCCCSc2nccs2)c([N+](=O)[O-])c1 ZINC000804452746 626681331 /nfs/dbraw/zinc/68/13/31/626681331.db2.gz MNMLRGVMIRHBCG-UHFFFAOYSA-N 0 0 310.404 3.228 20 10 DGCDRN O=C(NCCCSc1nccs1)c1cc2occc2[nH]1 ZINC000132085817 626698298 /nfs/dbraw/zinc/69/82/98/626698298.db2.gz ZBGFFYBOYIXDKN-UHFFFAOYSA-N 0 0 307.400 3.130 20 10 DGCDRN CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000806160475 626703227 /nfs/dbraw/zinc/70/32/27/626703227.db2.gz SASKNTTXHBQXFI-RRFJBIMHSA-N 0 0 313.825 3.280 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H](CO)c1cccnc1)c1cccc(Cl)c1[O-] ZINC000806178946 626704737 /nfs/dbraw/zinc/70/47/37/626704737.db2.gz MEMXDYBZDIQUKW-CZUORRHYSA-N 0 0 320.820 3.257 20 10 DGCDRN COc1ccc(N(C)Cc2ccc(OC(C)=O)cc2)c(OC)c1 ZINC000132190279 626705218 /nfs/dbraw/zinc/70/52/18/626705218.db2.gz DULIQQBZOJTYMD-UHFFFAOYSA-N 0 0 315.369 3.266 20 10 DGCDRN COc1cccc(CNC(=O)Nc2cnc(Cl)cc2C)c1O ZINC000132291682 626712309 /nfs/dbraw/zinc/71/23/09/626712309.db2.gz OSQAEGKLVBFIHQ-UHFFFAOYSA-N 0 0 321.764 3.079 20 10 DGCDRN CC[C@@H]1CCC[C@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000132989965 626757024 /nfs/dbraw/zinc/75/70/24/626757024.db2.gz MCKDXLWCCSJZPO-NVXWUHKLSA-N 0 0 303.450 3.473 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCC(C)(C)CC(F)F ZINC000883879668 626762504 /nfs/dbraw/zinc/76/25/04/626762504.db2.gz XLLMDMHXDXPIGX-UHFFFAOYSA-N 0 0 300.349 3.215 20 10 DGCDRN O=C(NC1(CCOCc2ccccc2)CC1)C1=CC(=O)CS1 ZINC000807660188 626764323 /nfs/dbraw/zinc/76/43/23/626764323.db2.gz AQLBCYZXSCZJOY-UHFFFAOYSA-N 0 0 317.410 3.323 20 10 DGCDRN C=C/C=C\CCNC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000883912942 626768703 /nfs/dbraw/zinc/76/87/03/626768703.db2.gz HLPYKZZGKGSUMN-FPLPWBNLSA-N 0 0 301.434 3.416 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCCn2c(cc3ccccc32)C1 ZINC000807888174 626776422 /nfs/dbraw/zinc/77/64/22/626776422.db2.gz DRKDPWJKAMOLPD-UHFFFAOYSA-N 0 0 312.394 3.455 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N1CC[C@H](C)C1 ZINC000800012968 626791672 /nfs/dbraw/zinc/79/16/72/626791672.db2.gz UALJRNRMXKAGRZ-HNNXBMFYSA-N 0 0 303.450 3.425 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(F)ccc1C ZINC000808094249 626791808 /nfs/dbraw/zinc/79/18/08/626791808.db2.gz HLLHZQPWBSOBGL-UHFFFAOYSA-N 0 0 308.349 3.255 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000800017461 626792284 /nfs/dbraw/zinc/79/22/84/626792284.db2.gz KBEBDOGAWKKBFF-OAHLLOKOSA-N 0 0 316.788 3.012 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1ccncn1 ZINC000808148936 626797232 /nfs/dbraw/zinc/79/72/32/626797232.db2.gz AUERKZAHSMCNLQ-UHFFFAOYSA-N 0 0 320.396 3.123 20 10 DGCDRN CC(C)(C(=O)NCCc1ccc(N)cc1)c1ccc(F)cc1F ZINC000884028914 626798690 /nfs/dbraw/zinc/79/86/90/626798690.db2.gz WCMXIRZBNFETEM-UHFFFAOYSA-N 0 0 318.367 3.184 20 10 DGCDRN CC(C)(CC(=O)NCCc1ccc(N)cc1)CC(F)(F)F ZINC000884028705 626798854 /nfs/dbraw/zinc/79/88/54/626798854.db2.gz PENSPGQMJAUSOW-UHFFFAOYSA-N 0 0 302.340 3.296 20 10 DGCDRN c1nnn(-c2ccccc2)c1COc1ccc(N2CCCC2)cc1 ZINC000808260825 626810576 /nfs/dbraw/zinc/81/05/76/626810576.db2.gz WILABTRSLAEOJX-UHFFFAOYSA-N 0 0 320.396 3.447 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@]1(C)CCCS1 ZINC000133598043 626818910 /nfs/dbraw/zinc/81/89/10/626818910.db2.gz ZUIXPLIDCSEERR-QGZVFWFLSA-N 0 0 321.490 3.146 20 10 DGCDRN CC(C)SCC[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000808419665 626822034 /nfs/dbraw/zinc/82/20/34/626822034.db2.gz NDWHXIGLQHCFJU-UHFFFAOYSA-N 0 0 304.799 3.185 20 10 DGCDRN CC(=O)C(=O)COC(=O)c1sccc1-c1ccc(C)cc1 ZINC000808491524 626832307 /nfs/dbraw/zinc/83/23/07/626832307.db2.gz OZPZZVTUCYBMPB-UHFFFAOYSA-N 0 0 302.351 3.038 20 10 DGCDRN CC(=O)C(=O)COC(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000808495629 626832823 /nfs/dbraw/zinc/83/28/23/626832823.db2.gz SZPZEMXDAFWRPY-UHFFFAOYSA-N 0 0 322.769 3.383 20 10 DGCDRN C[C@H](OC(=O)C1=CC(=O)CS1)C(=O)C1(c2ccccc2)CC1 ZINC000808516563 626834830 /nfs/dbraw/zinc/83/48/30/626834830.db2.gz MOUHAUGODAQHDE-NSHDSACASA-N 0 0 316.378 3.300 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])[C@@H](O)c1ccccc1 ZINC000808721085 626853692 /nfs/dbraw/zinc/85/36/92/626853692.db2.gz HORBHWMZJKWCLH-LYOVBCGYSA-N 0 0 307.340 3.443 20 10 DGCDRN CCCc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000134524332 626880551 /nfs/dbraw/zinc/88/05/51/626880551.db2.gz SDXUPUDFFZWVRL-UHFFFAOYSA-N 0 0 314.385 3.415 20 10 DGCDRN Cc1ccc(C)c(C2=NO[C@@H](C(=O)N(C)c3ccc(N)cc3)C2)c1 ZINC000884442051 626880691 /nfs/dbraw/zinc/88/06/91/626880691.db2.gz VKDVTWBXHHQTQX-GOSISDBHSA-N 0 0 323.396 3.042 20 10 DGCDRN Cc1cc(=O)[nH]c2cc(C(=O)N(C)Cc3ccccc3O)ccc12 ZINC000809613195 626925717 /nfs/dbraw/zinc/92/57/17/626925717.db2.gz NNDGQKPHCXOHRJ-UHFFFAOYSA-N 0 0 322.364 3.227 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1cnc([C@@H](C)O)s1 ZINC000809635880 626930321 /nfs/dbraw/zinc/93/03/21/626930321.db2.gz NGUIAWPKZLQHHB-LLVKDONJSA-N 0 0 304.415 3.158 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ocnc1C1CC1 ZINC000809648519 626932319 /nfs/dbraw/zinc/93/23/19/626932319.db2.gz UQIHDVBJXMMXHW-UHFFFAOYSA-N 0 0 300.358 3.310 20 10 DGCDRN COc1cc(CCO)ccc1NCc1c(O)cccc1Cl ZINC000809654530 626933414 /nfs/dbraw/zinc/93/34/14/626933414.db2.gz GMKDXUAPUYDIBU-UHFFFAOYSA-N 0 0 307.777 3.201 20 10 DGCDRN CCOc1ccc(CN2CCCC[C@@H]2c2cc[nH]n2)c(O)c1 ZINC000809693731 626937644 /nfs/dbraw/zinc/93/76/44/626937644.db2.gz ZWBVVHCGHKJDAG-MRXNPFEDSA-N 0 0 301.390 3.241 20 10 DGCDRN C[C@H]1CO[C@@H](C(F)(F)F)CN1Cc1cc(Cl)ccc1O ZINC000809696751 626937957 /nfs/dbraw/zinc/93/79/57/626937957.db2.gz QCUXRVBXXHLMBX-QPUJVOFHSA-N 0 0 309.715 3.197 20 10 DGCDRN C[C@H](NC(=O)c1c(F)ccc(O)c1F)c1ccc(N(C)C)cc1 ZINC000809777918 626951049 /nfs/dbraw/zinc/95/10/49/626951049.db2.gz IONCBZAUBQDPJK-JTQLQIEISA-N 0 0 320.339 3.227 20 10 DGCDRN Oc1cccc(Cl)c1CN1CCC2(C1)Oc1ccccc1O2 ZINC000809790055 626953919 /nfs/dbraw/zinc/95/39/19/626953919.db2.gz VJMBGEHYXOYZRD-UHFFFAOYSA-N 0 0 317.772 3.419 20 10 DGCDRN CCc1c(C(=O)N(CC)Cc2ccc(N(C)C)cc2)ccn1C ZINC000809987350 626965616 /nfs/dbraw/zinc/96/56/16/626965616.db2.gz WMABCLGBFDQJIC-UHFFFAOYSA-N 0 0 313.445 3.316 20 10 DGCDRN CN(C)c1ccc(OCC(=O)N[C@H](c2ccccc2)C2CC2)cc1 ZINC000810000247 626967000 /nfs/dbraw/zinc/96/70/00/626967000.db2.gz GFWIGNPQWLWEAH-HXUWFJFHSA-N 0 0 324.424 3.399 20 10 DGCDRN COc1ccc(COCCOc2ccc(N(C)C)cc2)cc1 ZINC000810002536 626967438 /nfs/dbraw/zinc/96/74/38/626967438.db2.gz ZZOHFSDDAQXZIM-UHFFFAOYSA-N 0 0 301.386 3.357 20 10 DGCDRN CN(C)c1ccc(OCC(=O)N2CCC[C@@H]3CCCC[C@H]32)cc1 ZINC000810002002 626967521 /nfs/dbraw/zinc/96/75/21/626967521.db2.gz PUKJQOFNVNJKOW-MAUKXSAKSA-N 0 0 316.445 3.313 20 10 DGCDRN COc1ccc(COc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000810001945 626967589 /nfs/dbraw/zinc/96/75/89/626967589.db2.gz ORDNOVJYQAYGEJ-UHFFFAOYSA-N 0 0 302.330 3.248 20 10 DGCDRN CN(C)c1ccc(OCC(=O)Nc2cc(F)ccc2F)cc1 ZINC000810002025 626967590 /nfs/dbraw/zinc/96/75/90/626967590.db2.gz QMNMAQCSPNTNBI-UHFFFAOYSA-N 0 0 306.312 3.048 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cnnc(-c2ccccc2)c1 ZINC000810156787 626982517 /nfs/dbraw/zinc/98/25/17/626982517.db2.gz UPPRJFHLCBMAHG-UHFFFAOYSA-N 0 0 319.364 3.121 20 10 DGCDRN Cc1c(Cl)nccc1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000810291560 626997828 /nfs/dbraw/zinc/99/78/28/626997828.db2.gz OWBYQOYTPMHBFI-UHFFFAOYSA-N 0 0 318.808 3.431 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(F)c(C)cc2F)c1 ZINC000136747228 627103550 /nfs/dbraw/zinc/10/35/50/627103550.db2.gz NGVMQDZMNVOMTN-JTQLQIEISA-N 0 0 321.323 3.478 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cc(-c2ccccc2)on1 ZINC000136941512 627104768 /nfs/dbraw/zinc/10/47/68/627104768.db2.gz MFRYHDMOKHPIFZ-UHFFFAOYSA-N 0 0 308.337 3.319 20 10 DGCDRN COc1ccc(OC)c(C[NH2+][C@@H](C)c2c([O-])cccc2F)c1 ZINC000886494974 627152885 /nfs/dbraw/zinc/15/28/85/627152885.db2.gz COVFTBHXODYKJZ-NSHDSACASA-N 0 0 305.349 3.399 20 10 DGCDRN COc1ccc(C[NH2+][C@H](C)c2c([O-])cccc2F)c(OC)c1 ZINC000886507465 627154599 /nfs/dbraw/zinc/15/45/99/627154599.db2.gz MCOKUSWSAJHTDL-LLVKDONJSA-N 0 0 305.349 3.399 20 10 DGCDRN C[C@@H](NCc1nccn1CC(F)(F)F)c1c(O)cccc1F ZINC000886522243 627155964 /nfs/dbraw/zinc/15/59/64/627155964.db2.gz FSRQCSJVPMHBDN-SECBINFHSA-N 0 0 317.286 3.141 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccc(F)cc1)c1c([O-])cccc1F ZINC000886527919 627157118 /nfs/dbraw/zinc/15/71/18/627157118.db2.gz CKVZNDYHOKNKRC-DINDLPBHSA-N 0 0 307.340 3.443 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1c([O-])cccc1F ZINC000886588707 627168778 /nfs/dbraw/zinc/16/87/78/627168778.db2.gz XSCIHDKLIHXGKH-ZFWWWQNUSA-N 0 0 303.377 3.176 20 10 DGCDRN C[C@@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1c([O-])cccc1F ZINC000886594149 627169294 /nfs/dbraw/zinc/16/92/94/627169294.db2.gz GUPIRHGTPDOSEK-GFCCVEGCSA-N 0 0 314.360 3.353 20 10 DGCDRN CCN(CC[NH2+][C@@H](C)c1c([O-])cccc1F)CCC(F)(F)F ZINC000886598994 627170663 /nfs/dbraw/zinc/17/06/63/627170663.db2.gz OTBZRHFTFHHFNN-NSHDSACASA-N 0 0 322.346 3.456 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)[C@@](C)(O)c1ccccc1 ZINC000886631711 627177322 /nfs/dbraw/zinc/17/73/22/627177322.db2.gz UTYMPLHYOQSJHI-VEVIJQCQSA-N 0 0 303.377 3.478 20 10 DGCDRN C[C@H]([NH2+]CCc1cn(C)c2ncccc12)c1c([O-])cccc1F ZINC000886648474 627179851 /nfs/dbraw/zinc/17/98/51/627179851.db2.gz UVCPPHISGKBNSH-LBPRGKRZSA-N 0 0 313.376 3.311 20 10 DGCDRN CC[C@H]([NH2+]C[C@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000886676696 627187433 /nfs/dbraw/zinc/18/74/33/627187433.db2.gz KSJLYGLJCDEJKT-WBVHZDCISA-N 0 0 321.367 3.315 20 10 DGCDRN C[C@H]([NH2+]CC[C@H]1CC(C)(C)CO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000886717977 627197218 /nfs/dbraw/zinc/19/72/18/627197218.db2.gz NHDOPNZTVAHLSN-AAEUAGOBSA-N 0 0 308.378 3.156 20 10 DGCDRN C[C@@H]([NH2+]CC[C@H]1CC(C)(C)CO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000886717980 627197368 /nfs/dbraw/zinc/19/73/68/627197368.db2.gz NHDOPNZTVAHLSN-YPMHNXCESA-N 0 0 308.378 3.156 20 10 DGCDRN CCN(C)c1ccc([C@H](C)N[C@H](CCO)C(F)(F)F)cc1 ZINC000886801216 627205903 /nfs/dbraw/zinc/20/59/03/627205903.db2.gz JTQSAMPCJRLTSB-SMDDNHRTSA-N 0 0 304.356 3.107 20 10 DGCDRN Cc1cc(Cl)cc([C@H](C)N[C@H](CCO)C(F)(F)F)c1O ZINC000886804166 627206340 /nfs/dbraw/zinc/20/63/40/627206340.db2.gz SYISSZRDXYLSGF-GZMMTYOYSA-N 0 0 311.731 3.318 20 10 DGCDRN CCSCCC[NH2+]Cc1cccc(Br)c1[O-] ZINC000300851721 627283486 /nfs/dbraw/zinc/28/34/86/627283486.db2.gz LYKDKBFZYOJJSP-UHFFFAOYSA-N 0 0 304.253 3.388 20 10 DGCDRN CN(C)c1ccc(CN2CCOCc3ccccc32)cc1F ZINC000811508476 627283565 /nfs/dbraw/zinc/28/35/65/627283565.db2.gz RSYCJFOLKFNLMF-UHFFFAOYSA-N 0 0 300.377 3.429 20 10 DGCDRN Cc1cc(O)c(CN2C[C@H](C)NC(=O)c3ccccc32)cc1C ZINC000811509225 627284008 /nfs/dbraw/zinc/28/40/08/627284008.db2.gz NRNWWGRZNWPSJQ-AWEZNQCLSA-N 0 0 310.397 3.148 20 10 DGCDRN COc1ccc(O)c(CNc2cncc(-c3ccccc3)n2)c1 ZINC000811806421 627323336 /nfs/dbraw/zinc/32/33/36/627323336.db2.gz VWZUTQYPKFOOCC-UHFFFAOYSA-N 0 0 307.353 3.470 20 10 DGCDRN Cc1ccc(-c2noc(NCCc3ccc(O)c(O)c3)n2)cc1 ZINC000811810888 627323697 /nfs/dbraw/zinc/32/36/97/627323697.db2.gz HJLBNUPHMJGAGH-UHFFFAOYSA-N 0 0 311.341 3.111 20 10 DGCDRN CCN(CC)c1ccc(CNc2ncc(OC)cn2)cc1F ZINC000811837600 627327575 /nfs/dbraw/zinc/32/75/75/627327575.db2.gz UYCAUZINJXLCIC-UHFFFAOYSA-N 0 0 304.369 3.083 20 10 DGCDRN CON(C)C(=O)c1ccc(NCc2c(O)cccc2Cl)cc1 ZINC000811840150 627328377 /nfs/dbraw/zinc/32/83/77/627328377.db2.gz OZHVWZYDPOVDKG-UHFFFAOYSA-N 0 0 320.776 3.291 20 10 DGCDRN CC[C@H](CNC(=O)N(C)Cc1ccc(N(CC)CC)cc1)OC ZINC000811968189 627342636 /nfs/dbraw/zinc/34/26/36/627342636.db2.gz DLLXZNAVGQUCKL-QGZVFWFLSA-N 0 0 321.465 3.099 20 10 DGCDRN CCn1c(C2CCCC2)nnc1N(C)Cc1ccccc1O ZINC000812040388 627349279 /nfs/dbraw/zinc/34/92/79/627349279.db2.gz UGZRTXLTRBACKS-UHFFFAOYSA-N 0 0 300.406 3.298 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC2(C3CC3)CCC2)cc1F ZINC000888003400 627355953 /nfs/dbraw/zinc/35/59/53/627355953.db2.gz OFYDBXGPRBLWPY-UHFFFAOYSA-N 0 0 305.397 3.024 20 10 DGCDRN COc1ccc(F)cc1/C=C1\SC(N2CCCCC2)=NC1=O ZINC000812241919 627364015 /nfs/dbraw/zinc/36/40/15/627364015.db2.gz OPRWXGLKRHOWKF-UVTDQMKNSA-N 0 0 320.389 3.291 20 10 DGCDRN CCOC(=O)/C(=C/c1ccc(N(C)C)cc1)c1ccnc(F)c1 ZINC000812246566 627364448 /nfs/dbraw/zinc/36/44/48/627364448.db2.gz OKFFIZPCGRXHKL-LFIBNONCSA-N 0 0 314.360 3.390 20 10 DGCDRN CO[C@@H](C)[C@@H](C)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000812347445 627373434 /nfs/dbraw/zinc/37/34/34/627373434.db2.gz KWEMXGZXFKEJHM-CABCVRRESA-N 0 0 300.402 3.247 20 10 DGCDRN CC[C@@H](CNC(=O)c1sccc1-n1c(C)ccc1C)OC ZINC000812367580 627375682 /nfs/dbraw/zinc/37/56/82/627375682.db2.gz GVHQXYDQLDLRGE-ZDUSSCGKSA-N 0 0 306.431 3.310 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)[C@H](C)COC ZINC000812455042 627388355 /nfs/dbraw/zinc/38/83/55/627388355.db2.gz VPQPZMLSKQRALA-HUUCEWRRSA-N 0 0 306.450 3.020 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CS[C@H](C)C2)cc1 ZINC000840262034 627409648 /nfs/dbraw/zinc/40/96/48/627409648.db2.gz BVJGCRXEULHJAR-HIFRSBDPSA-N 0 0 321.490 3.226 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](O)C2(C)C)cc1 ZINC000812697078 627412211 /nfs/dbraw/zinc/41/22/11/627412211.db2.gz FMZQNORXHQETTI-KRWDZBQOSA-N 0 0 312.413 3.080 20 10 DGCDRN CCO[C@@H](CC)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000840274092 627439792 /nfs/dbraw/zinc/43/97/92/627439792.db2.gz AKYLKGMRLYFOCR-KRWDZBQOSA-N 0 0 306.450 3.305 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N[C@@H]3CCCC[C@H]3F)ccc21 ZINC000840274144 627439815 /nfs/dbraw/zinc/43/98/15/627439815.db2.gz BQTVMCQLBAQLJB-HZPDHXFCSA-N 0 0 319.424 3.149 20 10 DGCDRN O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)c1cc2cc(O)c(O)cc2s1 ZINC000889619316 627447501 /nfs/dbraw/zinc/44/75/01/627447501.db2.gz XLUIUBZCUNTUPG-DVVUODLYSA-N 0 0 303.383 3.231 20 10 DGCDRN Cc1cccnc1[C@@H](NC(=O)c1cccc(O)c1O)C(C)(C)C ZINC000889889151 627477599 /nfs/dbraw/zinc/47/75/99/627477599.db2.gz KOTAGGYRXGQMOL-MRXNPFEDSA-N 0 0 314.385 3.318 20 10 DGCDRN O=C(Nc1cccc(N2CCCCC2)c1)c1cccc(CO)c1 ZINC000813419223 627488186 /nfs/dbraw/zinc/48/81/86/627488186.db2.gz GQPVYXHOLTYCMO-UHFFFAOYSA-N 0 0 310.397 3.422 20 10 DGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cccc(CO)c1 ZINC000813425377 627488867 /nfs/dbraw/zinc/48/88/67/627488867.db2.gz LFOVDBUYXNOJEG-UHFFFAOYSA-N 0 0 324.424 3.099 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC1CC(CCO)C1 ZINC000889974759 627489656 /nfs/dbraw/zinc/48/96/56/627489656.db2.gz PDNYNMGXAPIRKU-UHFFFAOYSA-N 0 0 318.442 3.046 20 10 DGCDRN O=C(CCc1ccc2ccccc2n1)NCc1ccccc1O ZINC000813489143 627493900 /nfs/dbraw/zinc/49/39/00/627493900.db2.gz QISVWDMDWJDGQP-UHFFFAOYSA-N 0 0 306.365 3.189 20 10 DGCDRN Cc1cc(CCNC(=O)NCC2CC2)c(C)n1-c1ccccc1 ZINC000890106283 627503601 /nfs/dbraw/zinc/50/36/01/627503601.db2.gz XVSXLSMZUGOYKR-UHFFFAOYSA-N 0 0 311.429 3.346 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](C2CCC2)C1 ZINC000840302576 627518439 /nfs/dbraw/zinc/51/84/39/627518439.db2.gz QSRXUOBTXYPCJF-KRWDZBQOSA-N 0 0 315.461 3.393 20 10 DGCDRN CSC[C@@H](C)NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840306176 627523759 /nfs/dbraw/zinc/52/37/59/627523759.db2.gz RXAPULXOLJEIIU-ZIAGYGMSSA-N 0 0 323.506 3.043 20 10 DGCDRN Cc1cc(C(=O)OCc2ocnc2C)c(C)n1-c1ccccn1 ZINC000814098629 627541847 /nfs/dbraw/zinc/54/18/47/627541847.db2.gz GWODAXPYLHNSLZ-UHFFFAOYSA-N 0 0 311.341 3.143 20 10 DGCDRN CCOC(=O)c1cc(COC)cc(NCc2ccccc2O)c1 ZINC000814174765 627546768 /nfs/dbraw/zinc/54/67/68/627546768.db2.gz DAPFXJXGANOSGN-UHFFFAOYSA-N 0 0 315.369 3.327 20 10 DGCDRN COc1cc(C)nc(/C=C2\SC(=S)N(C3CCC3)C2=O)c1 ZINC000814186086 627547944 /nfs/dbraw/zinc/54/79/44/627547944.db2.gz VKZKWMQOYZCZPW-JYRVWZFOSA-N 0 0 320.439 3.152 20 10 DGCDRN CCOc1cccc(/C=C2\SC(=S)N(C3CCC3)C2=O)n1 ZINC000814186081 627548104 /nfs/dbraw/zinc/54/81/04/627548104.db2.gz VKVNAOMQYWGFKK-XFXZXTDPSA-N 0 0 320.439 3.234 20 10 DGCDRN COc1ccc2c(c1)CCCCN2Cc1nnc(C(C)(C)C)[nH]1 ZINC000814630336 627580962 /nfs/dbraw/zinc/58/09/62/627580962.db2.gz UIQFOROQRFPHBH-UHFFFAOYSA-N 0 0 314.433 3.454 20 10 DGCDRN C[C@@H]1CC(C)(C)CN1C(=O)NCCCSc1nccs1 ZINC000840324626 627581458 /nfs/dbraw/zinc/58/14/58/627581458.db2.gz GHOXREXJUXPJMK-LLVKDONJSA-N 0 0 313.492 3.455 20 10 DGCDRN O=C(NCCCSc1nccs1)N[C@@H]1C[C@H]1c1ccco1 ZINC000840325000 627582058 /nfs/dbraw/zinc/58/20/58/627582058.db2.gz LHUUOPAZWPFSCG-GHMZBOCLSA-N 0 0 323.443 3.074 20 10 DGCDRN COC(=O)C1(NCc2ccc(N(C)C)c(C)c2)CCCCC1 ZINC000815051143 627618746 /nfs/dbraw/zinc/61/87/46/627618746.db2.gz KKVUXVWFNMFSDH-UHFFFAOYSA-N 0 0 304.434 3.027 20 10 DGCDRN Cc1cc(CN2CCOC[C@@H]2c2ccco2)ccc1N(C)C ZINC000815051702 627618949 /nfs/dbraw/zinc/61/89/49/627618949.db2.gz SVJFPIXARUPLIA-QGZVFWFLSA-N 0 0 300.402 3.228 20 10 DGCDRN CCN(C)c1ccc(CN[C@@](C)(c2noc(C)n2)C2CC2)cc1 ZINC000815123881 627631590 /nfs/dbraw/zinc/63/15/90/627631590.db2.gz JUFUDIADXVFOIW-GOSISDBHSA-N 0 0 314.433 3.249 20 10 DGCDRN Cc1nsc(C)c1C(=O)NCCCSc1nccs1 ZINC000815590927 627688366 /nfs/dbraw/zinc/68/83/66/627688366.db2.gz OUZUDGBXCWLPIO-UHFFFAOYSA-N 0 0 313.473 3.129 20 10 DGCDRN C[C@H]([NH2+]CCN1CC[C@@H](C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815585986 627688402 /nfs/dbraw/zinc/68/84/02/627688402.db2.gz WTXZRCBLMLRZMD-NEPJUHHUSA-N 0 0 316.367 3.403 20 10 DGCDRN Cc1cc(C)c([C@H](C)Nc2ccc3c(c2)C(=O)NCC3)c(O)c1 ZINC000815613102 627691018 /nfs/dbraw/zinc/69/10/18/627691018.db2.gz GGVZSPYXRNZSBP-ZDUSSCGKSA-N 0 0 310.397 3.468 20 10 DGCDRN COc1nn(C)cc1N[C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815619033 627691738 /nfs/dbraw/zinc/69/17/38/627691738.db2.gz AIKXVJYCBSYWQD-QMMMGPOBSA-N 0 0 315.295 3.326 20 10 DGCDRN CO[C@@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])C1CC1 ZINC000815651678 627694876 /nfs/dbraw/zinc/69/48/76/627694876.db2.gz ZUHLJBFQFUPDGC-RNCFNFMXSA-N 0 0 303.324 3.487 20 10 DGCDRN C[C@@H](NC(=O)[C@H]1CCc2cccc(O)c21)c1ccc(N(C)C)cc1 ZINC000816180114 627750037 /nfs/dbraw/zinc/75/00/37/627750037.db2.gz FURLEZLTLFRCCW-DYVFJYSZSA-N 0 0 324.424 3.365 20 10 DGCDRN Oc1c(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)ccc2ccccc21 ZINC000816520602 627801556 /nfs/dbraw/zinc/80/15/56/627801556.db2.gz SVYIMJYLBLEAMR-DLBZAZTESA-N 0 0 315.438 3.252 20 10 DGCDRN CC(C)C[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])N(C)C ZINC000816534751 627803212 /nfs/dbraw/zinc/80/32/12/627803212.db2.gz SVSOEDYUVJDTFZ-GFCCVEGCSA-N 0 0 302.821 3.251 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000816532872 627803391 /nfs/dbraw/zinc/80/33/91/627803391.db2.gz YWNSYXZPILQSNH-LBPRGKRZSA-N 0 0 307.752 3.278 20 10 DGCDRN Cc1cccc2nc(C[NH2+]Cc3cc(Cl)c(F)cc3[O-])cn21 ZINC000816546963 627804934 /nfs/dbraw/zinc/80/49/34/627804934.db2.gz DJCWVTLBWCLSLK-UHFFFAOYSA-N 0 0 319.767 3.431 20 10 DGCDRN CC(C)CC[C@](C)(O)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816552761 627806484 /nfs/dbraw/zinc/80/64/84/627806484.db2.gz VLMARLXLEBJHLC-HNNXBMFYSA-N 0 0 303.805 3.462 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H](CO)C1CCCCC1 ZINC000816554275 627806625 /nfs/dbraw/zinc/80/66/25/627806625.db2.gz UAAQGMINRCWFOW-CQSZACIVSA-N 0 0 301.789 3.216 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCc1ccc(CO)cc1 ZINC000816560007 627807458 /nfs/dbraw/zinc/80/74/58/627807458.db2.gz BPPIKYMXYUXUKA-UHFFFAOYSA-N 0 0 309.768 3.009 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCc1cn2ccccc2n1 ZINC000816561970 627808121 /nfs/dbraw/zinc/80/81/21/627808121.db2.gz SUIYHKYOSNGLAV-UHFFFAOYSA-N 0 0 319.767 3.165 20 10 DGCDRN COc1ccc(C[N@H+](C)Cc2cc(Cl)c(F)cc2[O-])cn1 ZINC000816568927 627809243 /nfs/dbraw/zinc/80/92/43/627809243.db2.gz TWHFJCCRHPGGQV-UHFFFAOYSA-N 0 0 310.756 3.220 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cc(C)cc(=O)[nH]1 ZINC000816593557 627812808 /nfs/dbraw/zinc/81/28/08/627812808.db2.gz VVZBTIZPIRRYNV-UHFFFAOYSA-N 0 0 314.385 3.244 20 10 DGCDRN CC[N@H+](CCC[NH+]1CCCC1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816610871 627814651 /nfs/dbraw/zinc/81/46/51/627814651.db2.gz BJFJGWJFTIDJAK-UHFFFAOYSA-N 0 0 314.832 3.493 20 10 DGCDRN O=C1COc2c(NCc3ccc4ccccc4c3O)cccc2N1 ZINC000816614350 627815322 /nfs/dbraw/zinc/81/53/22/627815322.db2.gz UFMVRLSHOHGBIP-UHFFFAOYSA-N 0 0 320.348 3.488 20 10 DGCDRN CC(C)[C@@]1(CO)CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000816662142 627821755 /nfs/dbraw/zinc/82/17/55/627821755.db2.gz IPUKEEJFGJTERJ-INIZCTEOSA-N 0 0 315.816 3.415 20 10 DGCDRN Cc1cc(Cl)cc(CN2C[C@]3(CCCO3)[C@H]2C2CC2)c1O ZINC000816666000 627822740 /nfs/dbraw/zinc/82/27/40/627822740.db2.gz BPDCOODJUAGWLO-IAGOWNOFSA-N 0 0 307.821 3.497 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2ocnc2C)cc1 ZINC000816707914 627825437 /nfs/dbraw/zinc/82/54/37/627825437.db2.gz HPOWSGOGSQVIBY-UHFFFAOYSA-N 0 0 309.369 3.321 20 10 DGCDRN CC(C)(NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1F ZINC000817039745 627848117 /nfs/dbraw/zinc/84/81/17/627848117.db2.gz NFOCRKYGCBSOFT-NTMALXAHSA-N 0 0 315.344 3.302 20 10 DGCDRN Nc1ccc(NC(=O)N2CCC[C@@H](Cc3nccs3)C2)cc1 ZINC000926143331 627850814 /nfs/dbraw/zinc/85/08/14/627850814.db2.gz OFEIWHLCBMMOKY-LBPRGKRZSA-N 0 0 316.430 3.212 20 10 DGCDRN CCN(Cc1nn(C)c(C)c1Cl)Cc1ccc(N(C)C)cc1 ZINC000817406524 627894040 /nfs/dbraw/zinc/89/40/40/627894040.db2.gz WOMBXANPGUBJAA-UHFFFAOYSA-N 0 0 320.868 3.470 20 10 DGCDRN C[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000817412538 627896528 /nfs/dbraw/zinc/89/65/28/627896528.db2.gz MJWQCBXQVVECKO-NXEZZACHSA-N 0 0 304.217 3.149 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc(C(C)(F)F)cc2)c(O)c1O ZINC000817467679 627906868 /nfs/dbraw/zinc/90/68/68/627906868.db2.gz UDUNYDKGODRYQF-UHFFFAOYSA-N 0 0 321.323 3.448 20 10 DGCDRN C[C@H]([NH2+]CC1(CC(N)=O)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817587148 627926742 /nfs/dbraw/zinc/92/67/42/627926742.db2.gz VGCJVXXQHXZZJU-QMMMGPOBSA-N 0 0 317.216 3.005 20 10 DGCDRN C[C@@H]([NH2+]CC1(CC(N)=O)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817587147 627926888 /nfs/dbraw/zinc/92/68/88/627926888.db2.gz VGCJVXXQHXZZJU-MRVPVSSYSA-N 0 0 317.216 3.005 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000817597947 627928539 /nfs/dbraw/zinc/92/85/39/627928539.db2.gz LEMWZVSHNZRDJL-GFCCVEGCSA-N 0 0 317.772 3.381 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000817597948 627928755 /nfs/dbraw/zinc/92/87/55/627928755.db2.gz LEMWZVSHNZRDJL-LBPRGKRZSA-N 0 0 317.772 3.381 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H](C2CCCC2)C1 ZINC000817636842 627932397 /nfs/dbraw/zinc/93/23/97/627932397.db2.gz TZYPLKDCBOFVJW-DDJMYBDESA-N 0 0 301.386 3.150 20 10 DGCDRN COC[C@H]1CCN1C(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000817809121 627950067 /nfs/dbraw/zinc/95/00/67/627950067.db2.gz OCBHPTHHTOXPBA-MRXNPFEDSA-N 0 0 312.413 3.263 20 10 DGCDRN Cc1ccncc1/C=C\C(=O)N1CCc2c1c(F)ccc2F ZINC000817827084 627950711 /nfs/dbraw/zinc/95/07/11/627950711.db2.gz IGAYIKOMWMUIDA-DJWKRKHSSA-N 0 0 300.308 3.271 20 10 DGCDRN CC[C@H](C)N(C)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817923460 627962360 /nfs/dbraw/zinc/96/23/60/627962360.db2.gz XUIJYFOUDAWTKO-NSHDSACASA-N 0 0 303.431 3.187 20 10 DGCDRN C[C@H]1C[C@H](C)N(C(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000817950216 627972133 /nfs/dbraw/zinc/97/21/33/627972133.db2.gz WMUUANKRCBFGQX-RYUDHWBXSA-N 0 0 315.442 3.187 20 10 DGCDRN NCC(F)(F)CN[C@@H](CCc1ccccc1)c1ccccc1O ZINC000817968410 627978846 /nfs/dbraw/zinc/97/88/46/627978846.db2.gz RWOIUJYHGPPKAT-INIZCTEOSA-N 0 0 320.383 3.250 20 10 DGCDRN CCn1c([C@H]2CCCS2)nnc1N(C)Cc1ccccc1O ZINC000818198152 628003164 /nfs/dbraw/zinc/00/31/64/628003164.db2.gz NSKJZAZKJNJVAR-CQSZACIVSA-N 0 0 318.446 3.208 20 10 DGCDRN CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H](C)c3c([O-])cccc3F)C2)n1 ZINC000927054524 628003524 /nfs/dbraw/zinc/00/35/24/628003524.db2.gz VRTCQNVMNZDFPB-TUAOUCFPSA-N 0 0 319.380 3.464 20 10 DGCDRN CCc1noc([C@@H]2CC[C@H]([NH2+][C@H](C)c3c([O-])cccc3F)C2)n1 ZINC000927054525 628003684 /nfs/dbraw/zinc/00/36/84/628003684.db2.gz VRTCQNVMNZDFPB-UTUOFQBUSA-N 0 0 319.380 3.464 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1ccc(Cl)cc1[O-] ZINC000927056909 628003950 /nfs/dbraw/zinc/00/39/50/628003950.db2.gz NXIWQKQUDSOWMP-VGKMCQHDSA-N 0 0 311.809 3.379 20 10 DGCDRN CC(C)[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])c1cnn(C)c1 ZINC000927069168 628007586 /nfs/dbraw/zinc/00/75/86/628007586.db2.gz LKKLJLGBNNQOSW-BMIGLBTASA-N 0 0 309.360 3.452 20 10 DGCDRN CC[C@@H]([NH2+]Cc1nn(CC)nc1C)c1cccc(Cl)c1[O-] ZINC000818347191 628017217 /nfs/dbraw/zinc/01/72/17/628017217.db2.gz YBOQQXLAGJNSEO-CYBMUJFWSA-N 0 0 308.813 3.206 20 10 DGCDRN C[C@@H]([NH2+]CC[C@@H]1CCC2(CCC2)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927127214 628022178 /nfs/dbraw/zinc/02/21/78/628022178.db2.gz GOFPJUAWPYSXTH-OCCSQVGLSA-N 0 0 320.389 3.443 20 10 DGCDRN Nc1ccc(CCNC(=O)CCCc2cc(F)ccc2F)cc1 ZINC000818545013 628033706 /nfs/dbraw/zinc/03/37/06/628033706.db2.gz AAHQIPOTYUILCL-UHFFFAOYSA-N 0 0 318.367 3.229 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]CCC(C)(C)C(=O)[O-])cc1F ZINC000818629149 628045607 /nfs/dbraw/zinc/04/56/07/628045607.db2.gz SXJGQYNVKZREKZ-UHFFFAOYSA-N 0 0 310.413 3.262 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1CCCc2cccnc21)c1ccccc1O ZINC000927382404 628056524 /nfs/dbraw/zinc/05/65/24/628056524.db2.gz RORCHXWGMXAIDT-IUODEOHRSA-N 0 0 311.385 3.225 20 10 DGCDRN CCc1ccc(N2C(=O)CN(Cc3ccccc3O)C2=O)cc1C ZINC000819007681 628076710 /nfs/dbraw/zinc/07/67/10/628076710.db2.gz CPSCWRUMBJBWNR-UHFFFAOYSA-N 0 0 324.380 3.232 20 10 DGCDRN Cc1cc(C)c(N2C(=O)CN(Cc3ccccc3O)C2=O)c(C)c1 ZINC000819008522 628076787 /nfs/dbraw/zinc/07/67/87/628076787.db2.gz TUFMWGBRTYHCHG-UHFFFAOYSA-N 0 0 324.380 3.286 20 10 DGCDRN CCOCc1cc(C[NH2+][C@@H](C)[C@@H](C(=O)[O-])C(C)C)ccc1OC ZINC000819163512 628103951 /nfs/dbraw/zinc/10/39/51/628103951.db2.gz KINYDQJXTNPAPB-GUYCJALGSA-N 0 0 323.433 3.067 20 10 DGCDRN O=C(/C=C/[C@H]1CCCO1)NCc1ccc(N2CCCCC2)cc1 ZINC000819183163 628108393 /nfs/dbraw/zinc/10/83/93/628108393.db2.gz AJMUZNAJQXCTRK-DOJUMQAQSA-N 0 0 314.429 3.028 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC[C@H](C)F ZINC000840378218 628123095 /nfs/dbraw/zinc/12/30/95/628123095.db2.gz DAYRZNUUVGZJQM-KBPBESRZSA-N 0 0 309.429 3.039 20 10 DGCDRN CCCOc1ccccc1NC[C@@H](O)COCc1ccccc1 ZINC000819398398 628147861 /nfs/dbraw/zinc/14/78/61/628147861.db2.gz MEYVAKXTZQXEQK-QGZVFWFLSA-N 0 0 315.413 3.465 20 10 DGCDRN O=C(C(F)=C1CCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000819420051 628152212 /nfs/dbraw/zinc/15/22/12/628152212.db2.gz POAOMCRFSSCLNL-HNNXBMFYSA-N 0 0 319.376 3.307 20 10 DGCDRN COCc1cc(N[C@@H](C)Cc2ccc(N(C)C)cc2C)ncn1 ZINC000840384297 628154231 /nfs/dbraw/zinc/15/42/31/628154231.db2.gz HBIWGCWQYGZZSK-AWEZNQCLSA-N 0 0 314.433 3.041 20 10 DGCDRN CC/C(C)=C(/C)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819586334 628171590 /nfs/dbraw/zinc/17/15/90/628171590.db2.gz NPLAGBOCSVNPTA-FCFCDCELSA-N 0 0 316.445 3.384 20 10 DGCDRN CCC1(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)CCC1 ZINC000819584728 628171629 /nfs/dbraw/zinc/17/16/29/628171629.db2.gz PPDRFMMMBIPGGD-OAHLLOKOSA-N 0 0 316.445 3.218 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)C(C)(C)C3CC3)C2)cc1 ZINC000819591690 628172315 /nfs/dbraw/zinc/17/23/15/628172315.db2.gz VJSWBCDATGQLPB-CQSZACIVSA-N 0 0 316.445 3.074 20 10 DGCDRN COc1ccc(CNC(=O)NC[C@@H]2CCC[C@@H]2C2CC2)c(O)c1 ZINC000840392913 628177800 /nfs/dbraw/zinc/17/78/00/628177800.db2.gz QQMOMQGBCGOCQQ-XJKSGUPXSA-N 0 0 318.417 3.026 20 10 DGCDRN COc1cccc(C(C)(C)C(=O)NCc2c(O)cccc2F)c1 ZINC000928710903 628179935 /nfs/dbraw/zinc/17/99/35/628179935.db2.gz XIOATQUPOIJAHH-UHFFFAOYSA-N 0 0 317.360 3.134 20 10 DGCDRN CCOc1cccc(CCC(=O)NCc2c(O)cccc2F)c1 ZINC000928708373 628180003 /nfs/dbraw/zinc/18/00/03/628180003.db2.gz GMEAXSIRKXBUQG-UHFFFAOYSA-N 0 0 317.360 3.179 20 10 DGCDRN CC(C)Oc1ccccc1CC(=O)NCc1c(O)cccc1F ZINC000928710398 628180428 /nfs/dbraw/zinc/18/04/28/628180428.db2.gz CWHFTZQCJRLKCL-UHFFFAOYSA-N 0 0 317.360 3.177 20 10 DGCDRN Cc1ccc(C(=O)N(Cc2ccccn2)CC(C)C)c(O)c1O ZINC000928740782 628183444 /nfs/dbraw/zinc/18/34/44/628183444.db2.gz ORUKFMSTHLJHAS-UHFFFAOYSA-N 0 0 314.385 3.100 20 10 DGCDRN CC[C@@H](NC(=O)C1=CC(=O)CS1)c1cc(F)ccc1OC ZINC000928779240 628186405 /nfs/dbraw/zinc/18/64/05/628186405.db2.gz HMLFPEXCKBGTQH-GFCCVEGCSA-N 0 0 309.362 3.483 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC1=NC[C@H](C)S1 ZINC000819767403 628187707 /nfs/dbraw/zinc/18/77/07/628187707.db2.gz SYWWAOMICKKJNP-NSHDSACASA-N 0 0 319.455 3.377 20 10 DGCDRN COc1ccc(N2CC[C@H](CNc3nc(C)cc(C)n3)C2)cc1 ZINC000819936769 628201420 /nfs/dbraw/zinc/20/14/20/628201420.db2.gz WZGFUGSZYRAMEF-OAHLLOKOSA-N 0 0 312.417 3.040 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNc3nc(C)cc(C)n3)C2)cc1 ZINC000819936768 628201482 /nfs/dbraw/zinc/20/14/82/628201482.db2.gz WZGFUGSZYRAMEF-HNNXBMFYSA-N 0 0 312.417 3.040 20 10 DGCDRN C[C@H](NC(=O)[C@H]1CCc2cccnc21)c1ccc(N(C)C)cc1 ZINC000819931750 628201496 /nfs/dbraw/zinc/20/14/96/628201496.db2.gz SWKUQYISBQHNHK-GUYCJALGSA-N 0 0 309.413 3.055 20 10 DGCDRN Cc1[nH]ccc1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000820006413 628211359 /nfs/dbraw/zinc/21/13/59/628211359.db2.gz XAEWLZVYMIHPMM-UHFFFAOYSA-N 0 0 317.352 3.285 20 10 DGCDRN CS[C@H]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000820077202 628221485 /nfs/dbraw/zinc/22/14/85/628221485.db2.gz VTEXKNLAYJGFJX-OLZOCXBDSA-N 0 0 320.418 3.253 20 10 DGCDRN CCC(O)(CC)C(C)(C)CNC(=O)N(C)Cc1ccccc1O ZINC000820104165 628225999 /nfs/dbraw/zinc/22/59/99/628225999.db2.gz LDYXRCQSYILNPS-UHFFFAOYSA-N 0 0 322.449 3.111 20 10 DGCDRN C[C@@H]1CCC[C@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000820253952 628239940 /nfs/dbraw/zinc/23/99/40/628239940.db2.gz WHECKSQXWZFHEZ-NEPJUHHUSA-N 0 0 302.378 3.500 20 10 DGCDRN CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820580431 628274270 /nfs/dbraw/zinc/27/42/70/628274270.db2.gz AFHSBKNMTVYCPL-QWHCGFSZSA-N 0 0 320.418 3.253 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CC3(C2)CCCCC3)cc1 ZINC000821788348 628397139 /nfs/dbraw/zinc/39/71/39/628397139.db2.gz NVNGGFFQQJALPZ-UHFFFAOYSA-N 0 0 300.362 3.255 20 10 DGCDRN C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1(C)C ZINC000821938389 628411545 /nfs/dbraw/zinc/41/15/45/628411545.db2.gz SFNVFVATOSGDBR-NSHDSACASA-N 0 0 302.378 3.357 20 10 DGCDRN CC[C@H](CC(F)(F)F)C(=O)NCc1ccc(N(C)C)cc1 ZINC000822226779 628431363 /nfs/dbraw/zinc/43/13/63/628431363.db2.gz HPULQLCZXVZRGK-GFCCVEGCSA-N 0 0 302.340 3.347 20 10 DGCDRN Cc1cc(F)c(CC(=O)NCc2ccc(N(C)C)cc2)cc1F ZINC000822227173 628431565 /nfs/dbraw/zinc/43/15/65/628431565.db2.gz YGQWEHWKDMQVGC-UHFFFAOYSA-N 0 0 318.367 3.198 20 10 DGCDRN COc1ccc2c(c1)CCCN2C(=O)/C=C/c1cccnc1C ZINC000822341811 628442719 /nfs/dbraw/zinc/44/27/19/628442719.db2.gz KHGBKLBYIVGBFG-JXMROGBWSA-N 0 0 308.381 3.391 20 10 DGCDRN C[C@@H]1CC2(CCC2)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000822440387 628451657 /nfs/dbraw/zinc/45/16/57/628451657.db2.gz WKSSAVAQMCJJPS-LLVKDONJSA-N 0 0 300.362 3.254 20 10 DGCDRN CCC[C@@H](C)NC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000822580161 628467483 /nfs/dbraw/zinc/46/74/83/628467483.db2.gz QXBYJLAZPYHJQZ-HUUCEWRRSA-N 0 0 319.449 3.009 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCC(F)(F)C2)cc1 ZINC000822628048 628472310 /nfs/dbraw/zinc/47/23/10/628472310.db2.gz ORSVGLXMIHXXQR-VIFPVBQESA-N 0 0 310.304 3.014 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000822757105 628490238 /nfs/dbraw/zinc/49/02/38/628490238.db2.gz PBQBIRNWQGKCSP-HUUCEWRRSA-N 0 0 313.401 3.048 20 10 DGCDRN CO[C@H]1CC[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000822897845 628507519 /nfs/dbraw/zinc/50/75/19/628507519.db2.gz CUPRNLLEUWJSPY-WMZOPIPTSA-N 0 0 318.461 3.305 20 10 DGCDRN O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(CF)cc1 ZINC000822943537 628511134 /nfs/dbraw/zinc/51/11/34/628511134.db2.gz ZSKDPCZNWWLQEZ-UHFFFAOYSA-N 0 0 314.360 3.245 20 10 DGCDRN CN(C(=O)c1ccnc2c1CC(=O)N2)c1ccc(C(C)(C)C)cc1 ZINC000823151374 628531818 /nfs/dbraw/zinc/53/18/18/628531818.db2.gz PLVUHCVPVQBCPT-UHFFFAOYSA-N 0 0 323.396 3.150 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCCC2(F)F)cc1 ZINC000823354483 628551720 /nfs/dbraw/zinc/55/17/20/628551720.db2.gz HNLNSKQQQGZDCI-SNVBAGLBSA-N 0 0 310.304 3.014 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)CCC1CC1 ZINC000840478678 628551763 /nfs/dbraw/zinc/55/17/63/628551763.db2.gz AYWVSTRVMHAAHA-HNNXBMFYSA-N 0 0 317.477 3.434 20 10 DGCDRN CCn1cc(N(CC(C)C)C(=O)/C=C/c2cnccc2C)cn1 ZINC000823431158 628561205 /nfs/dbraw/zinc/56/12/05/628561205.db2.gz WJJVTSHAAMIKLL-VOTSOKGWSA-N 0 0 312.417 3.309 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCC[C@@H]2C2CC2)cc1 ZINC000823563663 628575149 /nfs/dbraw/zinc/57/51/49/628575149.db2.gz DYBZJIBMHNGTJB-UKRRQHHQSA-N 0 0 314.389 3.405 20 10 DGCDRN CCCc1cc(C(=O)NCc2cc(Cl)ccc2O)cc(=O)[nH]1 ZINC000823986747 628616650 /nfs/dbraw/zinc/61/66/50/628616650.db2.gz NRYFAXFLOOSVAE-UHFFFAOYSA-N 0 0 320.776 3.029 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@@H]1C1CC1 ZINC000840484119 628619930 /nfs/dbraw/zinc/61/99/30/628619930.db2.gz MXZBPHIQLJGELQ-KBXCAEBGSA-N 0 0 315.461 3.186 20 10 DGCDRN CC(C)(C)c1cnc(Sc2cccc(-c3nn[nH]n3)n2)s1 ZINC000824135463 628630320 /nfs/dbraw/zinc/63/03/20/628630320.db2.gz FIEZODKTJFLOER-UHFFFAOYSA-N 0 0 318.431 3.167 20 10 DGCDRN CO[C@@H]1CC[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)C1 ZINC000824262414 628644880 /nfs/dbraw/zinc/64/48/80/628644880.db2.gz XJGWJMOQZPFTJS-SJLPKXTDSA-N 0 0 316.445 3.108 20 10 DGCDRN CSC(C)(C)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000824268841 628645541 /nfs/dbraw/zinc/64/55/41/628645541.db2.gz WVFUOHYIZWFFDU-UHFFFAOYSA-N 0 0 306.475 3.435 20 10 DGCDRN CSCC1(CCNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000824431329 628659881 /nfs/dbraw/zinc/65/98/81/628659881.db2.gz DDFOXWZKEDQQQG-UHFFFAOYSA-N 0 0 320.418 3.112 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1C2CCC1CC2 ZINC000840487687 628662667 /nfs/dbraw/zinc/66/26/67/628662667.db2.gz HLZOZOCANCCNHV-ODIFPOPNSA-N 0 0 315.461 3.328 20 10 DGCDRN C[C@]1(F)CCCN(Cc2cc(Br)ccc2O)C1 ZINC000824472366 628663243 /nfs/dbraw/zinc/66/32/43/628663243.db2.gz RBQULNCXFVQTMH-ZDUSSCGKSA-N 0 0 302.187 3.479 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)[C@@H](C)C1CC1 ZINC000840488103 628666394 /nfs/dbraw/zinc/66/63/94/628666394.db2.gz JIOFOASOPVYSFG-GJZGRUSLSA-N 0 0 317.477 3.432 20 10 DGCDRN CN(C)c1ccc(CN[C@H]2CCn3ccnc32)c(C(F)(F)F)c1 ZINC000824527178 628667062 /nfs/dbraw/zinc/66/70/62/628667062.db2.gz SLIGWWJIWHOULX-AWEZNQCLSA-N 0 0 324.350 3.203 20 10 DGCDRN C[C@@]1(CCNC(=O)c2ccc(N=NC(N)=O)cc2)CC1(F)F ZINC000824552215 628670366 /nfs/dbraw/zinc/67/03/66/628670366.db2.gz WHLNXWSXXKUKHS-CYBMUJFWSA-N 0 0 310.304 3.014 20 10 DGCDRN Cc1cc(CN(C)Cc2ccc(Br)cc2O)no1 ZINC000824581043 628672929 /nfs/dbraw/zinc/67/29/29/628672929.db2.gz OJGQQOFXOYPHDN-UHFFFAOYSA-N 0 0 311.179 3.083 20 10 DGCDRN CC[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000824653766 628680577 /nfs/dbraw/zinc/68/05/77/628680577.db2.gz HHYWCALRKJLXMM-NWDGAFQWSA-N 0 0 308.378 3.225 20 10 DGCDRN CSc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)c(C)o1 ZINC000824670211 628682522 /nfs/dbraw/zinc/68/25/22/628682522.db2.gz WJLBUTFWDGYYIA-UHFFFAOYSA-N 0 0 322.405 3.445 20 10 DGCDRN CCC[C@@H](CC)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000824712193 628686130 /nfs/dbraw/zinc/68/61/30/628686130.db2.gz VURUVYRQZWQFFR-MRXNPFEDSA-N 0 0 318.461 3.090 20 10 DGCDRN CCN(CC)c1ccc(CNCc2nn(C)cc2Cl)cc1F ZINC000824758551 628690190 /nfs/dbraw/zinc/69/01/90/628690190.db2.gz XUZBYPNXVJHNMV-UHFFFAOYSA-N 0 0 324.831 3.349 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC1(CF)CCOCC1 ZINC000824794362 628693773 /nfs/dbraw/zinc/69/37/73/628693773.db2.gz DGEIIQZOKCECSN-UHFFFAOYSA-N 0 0 305.752 3.041 20 10 DGCDRN CO[C@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C[C@@H]1C ZINC000824814615 628696674 /nfs/dbraw/zinc/69/66/74/628696674.db2.gz BVYWRTIMJRFLGC-GWCFXTLKSA-N 0 0 314.223 3.012 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1ccn(CC)n1 ZINC000824948733 628710228 /nfs/dbraw/zinc/71/02/28/628710228.db2.gz GNEWNSMLZPWOPB-UHFFFAOYSA-N 0 0 316.405 3.443 20 10 DGCDRN CC[C@@H](Nc1ccc(O[C@H]2CC(=O)N2)cc1)c1ccccc1O ZINC000825000052 628715517 /nfs/dbraw/zinc/71/55/17/628715517.db2.gz VLTHWRNTCUNHLO-QAPCUYQASA-N 0 0 312.369 3.180 20 10 DGCDRN CN(C)c1ccc(CN2CCOC[C@@H]2c2ccc(F)cc2)cc1 ZINC000825045789 628720749 /nfs/dbraw/zinc/72/07/49/628720749.db2.gz LILRPMCTRYLGLI-LJQANCHMSA-N 0 0 314.404 3.465 20 10 DGCDRN Oc1cc2c(cc1CN1CC3(CCC3)[C@@H]1c1ccco1)OCO2 ZINC000825104034 628728190 /nfs/dbraw/zinc/72/81/90/628728190.db2.gz LATTWRMOVYPXPY-KRWDZBQOSA-N 0 0 313.353 3.441 20 10 DGCDRN Cc1ccc(NC2CC2)c(C(=O)N2Cc3cccc(O)c3C2)c1 ZINC000825356090 628753162 /nfs/dbraw/zinc/75/31/62/628753162.db2.gz JHGHWNOQITUACJ-UHFFFAOYSA-N 0 0 308.381 3.431 20 10 DGCDRN COc1ccc(N(C)Cc2c(C3CCC3)cnn2C)cc1F ZINC000825468812 628764777 /nfs/dbraw/zinc/76/47/77/628764777.db2.gz PPVYNEXMFILRMO-UHFFFAOYSA-N 0 0 303.381 3.472 20 10 DGCDRN COc1cc(CN[C@H](C)c2nc(C)no2)c(O)c(C(C)(C)C)c1 ZINC000825680031 628785181 /nfs/dbraw/zinc/78/51/81/628785181.db2.gz BBCIRZVNRVJXBK-SNVBAGLBSA-N 0 0 319.405 3.241 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)C2(C(F)(F)F)CCC2)c1 ZINC000825736517 628792315 /nfs/dbraw/zinc/79/23/15/628792315.db2.gz BFHDOCMHSYFMHS-VIFPVBQESA-N 0 0 317.307 3.311 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCCC2(F)F)c1 ZINC000825737326 628792762 /nfs/dbraw/zinc/79/27/62/628792762.db2.gz ZHTSZDMAJWGZSP-GXFFZTMASA-N 0 0 313.344 3.404 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)C(C)(F)F)c1 ZINC000825736549 628792952 /nfs/dbraw/zinc/79/29/52/628792952.db2.gz CEPOLRARXQVMTE-VIFPVBQESA-N 0 0 301.333 3.259 20 10 DGCDRN Cc1ncccc1/C=C\C(=O)N1CCCN(C)c2ccccc21 ZINC000826101409 628829065 /nfs/dbraw/zinc/82/90/65/628829065.db2.gz SKDWZDBRCFNUHN-KHPPLWFESA-N 0 0 307.397 3.276 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(N(C)C)cc1 ZINC000826532612 628856799 /nfs/dbraw/zinc/85/67/99/628856799.db2.gz WOORKAOKVVWIBW-QCEMKRCNSA-N 0 0 301.434 3.301 20 10 DGCDRN C[C@@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)CC(F)F ZINC000826530175 628856823 /nfs/dbraw/zinc/85/68/23/628856823.db2.gz CMZVTVJYMHXJCM-VXGBXAGGSA-N 0 0 313.392 3.404 20 10 DGCDRN C[C@@]1(c2ccccc2)CCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000826826406 628892075 /nfs/dbraw/zinc/89/20/75/628892075.db2.gz ZHWZXZZRHYBRJF-GOSISDBHSA-N 0 0 315.344 3.041 20 10 DGCDRN C/C(=C/C(=O)N1C[C@H](C)Oc2cc(C)ccc21)c1cnccn1 ZINC000826836934 628893243 /nfs/dbraw/zinc/89/32/43/628893243.db2.gz LLUFZLUWRUFOLK-XXYUJHKVSA-N 0 0 309.369 3.002 20 10 DGCDRN COc1cc(Cl)cc(CN2CCO[C@](C)(C3CC3)C2)c1O ZINC000826878129 628898523 /nfs/dbraw/zinc/89/85/23/628898523.db2.gz UHUNUNFMLNXGKM-INIZCTEOSA-N 0 0 311.809 3.055 20 10 DGCDRN Oc1ccc(-c2ccccc2)cc1CN1CC[C@H](O)C(F)(F)C1 ZINC000826958447 628907603 /nfs/dbraw/zinc/90/76/03/628907603.db2.gz QBMXKQBCMNINAV-KRWDZBQOSA-N 0 0 319.351 3.261 20 10 DGCDRN COCC1(C2CCC2)C[NH+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000827011502 628912711 /nfs/dbraw/zinc/91/27/11/628912711.db2.gz KETJBODHISIJSU-UHFFFAOYSA-N 0 0 313.800 3.433 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@]2(C)CCOc3ccccc32)c1 ZINC000827167130 628931039 /nfs/dbraw/zinc/93/10/39/628931039.db2.gz OEZZWDSHNNMVGK-IBGZPJMESA-N 0 0 311.381 3.057 20 10 DGCDRN COc1ccnc(CNCc2cc(Cl)cc(C)c2O)c1F ZINC000827260270 628942651 /nfs/dbraw/zinc/94/26/51/628942651.db2.gz NAJDVLCMCUXVGW-UHFFFAOYSA-N 0 0 310.756 3.187 20 10 DGCDRN Cc1cnccc1/C=C\C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000827323727 628949883 /nfs/dbraw/zinc/94/98/83/628949883.db2.gz PFTSHKIATSTZFR-CLFYSBASSA-N 0 0 322.408 3.304 20 10 DGCDRN Nc1ccc(CC(=O)Nc2cc(CC3CCCCC3)[nH]n2)cc1 ZINC000827479497 628962498 /nfs/dbraw/zinc/96/24/98/628962498.db2.gz YPBJWLYCUYLVBL-UHFFFAOYSA-N 0 0 312.417 3.296 20 10 DGCDRN CC(C)[C@@H](O)[C@@H]([NH2+]Cc1cccc(F)c1[O-])c1ccccc1 ZINC000827526503 628968109 /nfs/dbraw/zinc/96/81/09/628968109.db2.gz MKTDYLXUPWSHIM-DLBZAZTESA-N 0 0 303.377 3.379 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000827601077 628976014 /nfs/dbraw/zinc/97/60/14/628976014.db2.gz UJIJGPMZNVOTMZ-UKPHBRMFSA-N 0 0 314.429 3.259 20 10 DGCDRN CC1=NN(c2ccc(C(=O)N[C@H](C)c3ccccc3O)cc2)CC1 ZINC000827930607 629004657 /nfs/dbraw/zinc/00/46/57/629004657.db2.gz MQVZXWJLCBGTEO-CQSZACIVSA-N 0 0 323.396 3.469 20 10 DGCDRN C[C@@H](NC(=O)[C@H](C)N1CCc2ccccc21)c1ccccc1O ZINC000827930602 629004663 /nfs/dbraw/zinc/00/46/63/629004663.db2.gz MJYMQNFATWYQQZ-KGLIPLIRSA-N 0 0 310.397 3.021 20 10 DGCDRN C[C@@H](NC(=O)C[C@@H]1OCCc2ccccc21)c1ccccc1O ZINC000827937319 629005567 /nfs/dbraw/zinc/00/55/67/629005567.db2.gz RQSNNWLPAZPCAO-ACJLOTCBSA-N 0 0 311.381 3.274 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)c2ccccc2O)nn1[C@@H](C)C1CC1 ZINC000827941894 629005867 /nfs/dbraw/zinc/00/58/67/629005867.db2.gz ZKZWTIKCYXSIOD-OLZOCXBDSA-N 0 0 313.401 3.359 20 10 DGCDRN CC(C)[C@@H]1C[C@H](CC(=O)N[C@H](C)c2ccccc2O)CCO1 ZINC000827941742 629005984 /nfs/dbraw/zinc/00/59/84/629005984.db2.gz XNUSRGLPZITQHY-CPUCHLNUSA-N 0 0 305.418 3.411 20 10 DGCDRN Cc1csc(CCCC(=O)N[C@H](C)c2ccccc2O)n1 ZINC000827946284 629006474 /nfs/dbraw/zinc/00/64/74/629006474.db2.gz CMCNYQFWTDFFSR-GFCCVEGCSA-N 0 0 304.415 3.357 20 10 DGCDRN C[C@@H](NC(=O)[C@@H](C)c1ccc2c(c1)OCO2)c1ccccc1O ZINC000827946218 629006499 /nfs/dbraw/zinc/00/64/99/629006499.db2.gz AQRPSPVSDNTKGY-NWDGAFQWSA-N 0 0 313.353 3.102 20 10 DGCDRN C[C@@H](NC(=O)c1ccc2c(c1)CCCC2=O)c1ccccc1O ZINC000827952194 629007124 /nfs/dbraw/zinc/00/71/24/629007124.db2.gz JGTQXGGJDSSJIL-GFCCVEGCSA-N 0 0 309.365 3.402 20 10 DGCDRN C[C@@H](CC(=O)N[C@@H](C)c1ccccc1O)N1CCc2ccccc21 ZINC000827960371 629008353 /nfs/dbraw/zinc/00/83/53/629008353.db2.gz OILSHOTUOWQUOF-GJZGRUSLSA-N 0 0 324.424 3.411 20 10 DGCDRN Cc1ccc(CO[C@H](C)C(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000827957603 629008390 /nfs/dbraw/zinc/00/83/90/629008390.db2.gz WEXBLLAXRXNODU-LSDHHAIUSA-N 0 0 313.397 3.483 20 10 DGCDRN C[C@@H](OCCc1ccccc1)C(=O)N[C@@H](C)c1ccccc1O ZINC000827963856 629008625 /nfs/dbraw/zinc/00/86/25/629008625.db2.gz CNEBXEALUKMAPD-LSDHHAIUSA-N 0 0 313.397 3.217 20 10 DGCDRN C[C@H](NC(=O)c1ccccc1NC(=O)C1CC1)c1ccccc1O ZINC000827964373 629008797 /nfs/dbraw/zinc/00/87/97/629008797.db2.gz MIIZVYIJEGNLFY-LBPRGKRZSA-N 0 0 324.380 3.232 20 10 DGCDRN C[C@H](NC(=O)[C@@H]1CCN(c2ccccc2)C1)c1ccccc1O ZINC000827964900 629009385 /nfs/dbraw/zinc/00/93/85/629009385.db2.gz ZOAUBNRYYDDIRT-LSDHHAIUSA-N 0 0 310.397 3.096 20 10 DGCDRN CCSCc1cc(C(=O)N[C@@H](C)c2ccccc2O)no1 ZINC000827969926 629009815 /nfs/dbraw/zinc/00/98/15/629009815.db2.gz VEJVYSUPZAXBMR-JTQLQIEISA-N 0 0 306.387 3.124 20 10 DGCDRN CCC(CC)n1ccc(C(=O)N[C@@H](C)c2ccccc2O)n1 ZINC000827973144 629009941 /nfs/dbraw/zinc/00/99/41/629009941.db2.gz IPCAWCBTCCRWEX-LBPRGKRZSA-N 0 0 301.390 3.441 20 10 DGCDRN C[C@H](NC(=O)COc1ccc2c(c1)CCC2)c1ccccc1O ZINC000827984753 629011337 /nfs/dbraw/zinc/01/13/37/629011337.db2.gz DZKWFKDVGSLQLO-ZDUSSCGKSA-N 0 0 311.381 3.137 20 10 DGCDRN CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000828013703 629014089 /nfs/dbraw/zinc/01/40/89/629014089.db2.gz HXSOLRYTDFRQGI-UHFFFAOYSA-N 0 0 305.809 3.353 20 10 DGCDRN COc1ccc(N(C)C[C@@H](O)[C@@H](C)c2ccccc2)cc1F ZINC000828040677 629017266 /nfs/dbraw/zinc/01/72/66/629017266.db2.gz LIYYBTKNCNUNFG-SUMWQHHRSA-N 0 0 303.377 3.435 20 10 DGCDRN Oc1ccccc1C[N@H+](CCC[C@@H]1CCOC1)C[C@@H]1CCCO1 ZINC000828062134 629019597 /nfs/dbraw/zinc/01/95/97/629019597.db2.gz BYIDBXQDPYGAFE-AEFFLSMTSA-N 0 0 319.445 3.190 20 10 DGCDRN CCc1cc(C(=O)N2Cc3cccc(O)c3C2)cc(Cl)n1 ZINC000828328248 629045027 /nfs/dbraw/zinc/04/50/27/629045027.db2.gz WMDYWRUDIQDWMS-UHFFFAOYSA-N 0 0 302.761 3.159 20 10 DGCDRN COC(=O)c1cnc(Sc2nc(C)nc3c2CCCC3)s1 ZINC000828428232 629053156 /nfs/dbraw/zinc/05/31/56/629053156.db2.gz IXUKTZPSALWABL-UHFFFAOYSA-N 0 0 321.427 3.058 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCS[C@@H]1C ZINC000828524394 629062899 /nfs/dbraw/zinc/06/28/99/629062899.db2.gz CALIUBLDZFDEOK-CJNGLKHVSA-N 0 0 321.490 3.178 20 10 DGCDRN C[C@H](NC(=O)C[C@H]1CC[C@H](C(F)(F)F)O1)c1ccccc1O ZINC000828539445 629064419 /nfs/dbraw/zinc/06/44/19/629064419.db2.gz OUJQBZHTPQJRBA-OPQQBVKSSA-N 0 0 317.307 3.069 20 10 DGCDRN C[C@@H](NC(=O)[C@]1(C)CCOc2ccccc21)c1ccccc1O ZINC000828539299 629064486 /nfs/dbraw/zinc/06/44/86/629064486.db2.gz KQCOOWXYILVIFD-BFUOFWGJSA-N 0 0 311.381 3.310 20 10 DGCDRN CC[C@@](C)(NCc1ccc(N2CCCCC2)c(C)c1)C(=O)OC ZINC000828583479 629070786 /nfs/dbraw/zinc/07/07/86/629070786.db2.gz XXOXDNKSAPVCIL-LJQANCHMSA-N 0 0 318.461 3.417 20 10 DGCDRN C[C@@H]1CN(C)c2ccccc2N(C(=O)C2=CC(=O)CS2)C1 ZINC000828732778 629086341 /nfs/dbraw/zinc/08/63/41/629086341.db2.gz WKGFGXZBTROHHK-LLVKDONJSA-N 0 0 302.399 3.186 20 10 DGCDRN Cc1cc(CN2CC(F)(F)C[C@H]2CO)ccc1N1CCCCC1 ZINC000829092773 629128482 /nfs/dbraw/zinc/12/84/82/629128482.db2.gz NRHDMPKRVTXSHR-INIZCTEOSA-N 0 0 324.415 3.187 20 10 DGCDRN CN(C[C@H]1COCCO1)c1ccc(OCc2ccccc2)cc1 ZINC000829092784 629128637 /nfs/dbraw/zinc/12/86/37/629128637.db2.gz OEBCVWGWQBTCQU-IBGZPJMESA-N 0 0 313.397 3.117 20 10 DGCDRN C/C(=C\C(=O)N1CC[C@H](C)c2cccc(O)c21)c1cnccn1 ZINC000829521094 629165911 /nfs/dbraw/zinc/16/59/11/629165911.db2.gz MASYAOZQVVPCAS-CVCOIXHCSA-N 0 0 309.369 3.126 20 10 DGCDRN Cc1ncccc1/C=C/C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000829818666 629198296 /nfs/dbraw/zinc/19/82/96/629198296.db2.gz ZLZMEHODBFCQHS-RZXPCSSPSA-N 0 0 309.413 3.347 20 10 DGCDRN O=C(C[C@@H]1CCCN1C(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000829878919 629204779 /nfs/dbraw/zinc/20/47/79/629204779.db2.gz IOYBPAJGZWXSAY-ZDUSSCGKSA-N 0 0 315.394 3.331 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)Cc2ccco2)c1 ZINC000830540691 629281918 /nfs/dbraw/zinc/28/19/18/629281918.db2.gz NGXQJFQISURXCK-NWDGAFQWSA-N 0 0 303.358 3.050 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)Cc2ccco2)c1 ZINC000830540696 629282105 /nfs/dbraw/zinc/28/21/05/629282105.db2.gz NGXQJFQISURXCK-VXGBXAGGSA-N 0 0 303.358 3.050 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cccc(OC)c2C)c1 ZINC000830540595 629282108 /nfs/dbraw/zinc/28/21/08/629282108.db2.gz MEJSRUMCPFTBNF-LBPRGKRZSA-N 0 0 315.369 3.209 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)c2nc(C)cs2)c1 ZINC000830541217 629282617 /nfs/dbraw/zinc/28/26/17/629282617.db2.gz VFAFSUQBEZLNSD-WDEREUQCSA-N 0 0 320.414 3.147 20 10 DGCDRN Cc1cc(CC(=O)N[C@H](C)c2cn[nH]c2)c(C)n1-c1ccccc1 ZINC000831231094 629351968 /nfs/dbraw/zinc/35/19/68/629351968.db2.gz CGOICIIZPZMSAB-CQSZACIVSA-N 0 0 322.412 3.237 20 10 DGCDRN CC[C@H](CSc1ccccc1)NC(=O)Cc1ccc(N)cc1 ZINC000831443314 629377913 /nfs/dbraw/zinc/37/79/13/629377913.db2.gz IIGNGPOYLXTXRB-MRXNPFEDSA-N 0 0 314.454 3.498 20 10 DGCDRN COc1ccc(N(C[C@@H](O)CC(F)(F)F)CC2CC2)cc1 ZINC000831587806 629393619 /nfs/dbraw/zinc/39/36/19/629393619.db2.gz MHRZKHSTLBZTQV-ZDUSSCGKSA-N 0 0 303.324 3.225 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCC(C2CC2)CC1 ZINC000831924971 629428440 /nfs/dbraw/zinc/42/84/40/629428440.db2.gz PWHIQIKKFZOFTB-JQRITLKVSA-N 0 0 317.429 3.361 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCC2(CC2)C1 ZINC000831923947 629428607 /nfs/dbraw/zinc/42/86/07/629428607.db2.gz AFJTVJLMVXEZLS-OCCSQVGLSA-N 0 0 303.402 3.115 20 10 DGCDRN Nc1ccc(CC(=O)N2CC[C@H](c3c(F)cccc3F)C2)cc1 ZINC000831998423 629434011 /nfs/dbraw/zinc/43/40/11/629434011.db2.gz KTFGNWKMLSMVRZ-ZDUSSCGKSA-N 0 0 316.351 3.106 20 10 DGCDRN O=C([O-])N[C@H](C[NH2+]Cc1c(O)cccc1Cl)c1ccccc1 ZINC000832139864 629444938 /nfs/dbraw/zinc/44/49/38/629444938.db2.gz CUAYHZGXPQVLFQ-CQSZACIVSA-N 0 0 320.776 3.144 20 10 DGCDRN O=C(NC[C@@H](c1ccccc1)C1CC1)c1c(F)ccc(O)c1O ZINC000832826827 629519503 /nfs/dbraw/zinc/51/95/03/629519503.db2.gz ZHYCBTBZFOXUJW-ZDUSSCGKSA-N 0 0 315.344 3.161 20 10 DGCDRN CC1(C)CN(C(=O)C2=CC(=O)CS2)C[C@](C)(C(F)(F)F)O1 ZINC000832876583 629526438 /nfs/dbraw/zinc/52/64/38/629526438.db2.gz DXSQSIAGBGNIHJ-GFCCVEGCSA-N 0 0 323.336 3.026 20 10 DGCDRN Cc1cc(C[N@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC000832882528 629526980 /nfs/dbraw/zinc/52/69/80/629526980.db2.gz KABYNORWQPVXBG-TZMCWYRMSA-N 0 0 305.418 3.151 20 10 DGCDRN O=C([O-])CCC1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000833225933 629572660 /nfs/dbraw/zinc/57/26/60/629572660.db2.gz VMAJUGLTDXHTSI-UHFFFAOYSA-N 0 0 314.385 3.017 20 10 DGCDRN CCc1oc(C(=O)[O-])cc1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000833680951 629640841 /nfs/dbraw/zinc/64/08/41/629640841.db2.gz RFNAVHWXOZGVHV-SNVBAGLBSA-N 0 0 319.357 3.105 20 10 DGCDRN COc1ccc(N(CC(=O)NC2CCCC2)C(C)C)cc1F ZINC000101567555 629741267 /nfs/dbraw/zinc/74/12/67/629741267.db2.gz XTOFDGWJMQGCNA-UHFFFAOYSA-N 0 0 308.397 3.108 20 10 DGCDRN C[C@@H]1C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CCS1 ZINC000834630530 629742986 /nfs/dbraw/zinc/74/29/86/629742986.db2.gz CUCUYGYRBCHRDF-SCZZXKLOSA-N 0 0 323.439 3.326 20 10 DGCDRN CC[C@@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(F)F ZINC000834828153 629785382 /nfs/dbraw/zinc/78/53/82/629785382.db2.gz PUZXCIVTKABKLP-BXUZGUMPSA-N 0 0 316.367 3.357 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CCn2ccnc21)c1cccc(C(F)(F)F)c1[O-] ZINC000834831542 629786111 /nfs/dbraw/zinc/78/61/11/629786111.db2.gz JUXLDMKATUXMNN-SKDRFNHKSA-N 0 0 311.307 3.403 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CCCC1(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834887026 629797557 /nfs/dbraw/zinc/79/75/57/629797557.db2.gz XOWSNIUFRCTVFF-VHSXEESVSA-N 0 0 300.305 3.386 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccncc2)C1)c1ccc(F)cc1[O-] ZINC000834894731 629800031 /nfs/dbraw/zinc/80/00/31/629800031.db2.gz UHPSUMMCWPZGME-XLWVJDPXSA-N 0 0 316.376 3.497 20 10 DGCDRN C[C@H]([NH2+]CCC1(CO)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000834896261 629801184 /nfs/dbraw/zinc/80/11/84/629801184.db2.gz JCTAVEWMVZOZIU-JTQLQIEISA-N 0 0 303.324 3.224 20 10 DGCDRN CC[C@H]([NH2+][C@@H](CC)c1ccc(Cl)c(Cl)c1[O-])C(=O)NC ZINC000834911184 629806437 /nfs/dbraw/zinc/80/64/37/629806437.db2.gz HQLVOJYTMDXUFR-QWRGUYRKSA-N 0 0 319.232 3.264 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834910992 629806908 /nfs/dbraw/zinc/80/69/08/629806908.db2.gz QXSOQHBJARFADG-NEPJUHHUSA-N 0 0 308.378 3.156 20 10 DGCDRN CN(C)c1ccc(/C=C\CN2CCO[C@@H](c3ccco3)C2)cc1 ZINC000835027978 629829233 /nfs/dbraw/zinc/82/92/33/629829233.db2.gz HUGOUPQXWQQPOO-SIEMBAAWSA-N 0 0 312.413 3.432 20 10 DGCDRN CC(C)c1nnc([C@@H](C)NCC=Cc2ccc(N(C)C)cc2)[nH]1 ZINC000835042390 629833143 /nfs/dbraw/zinc/83/31/43/629833143.db2.gz UXFCWJXEJUYTRC-LMVHVUTASA-N 0 0 313.449 3.358 20 10 DGCDRN CN(C)c1ccc(/C=C\CNc2ccc(C3(O)COC3)cc2)cc1 ZINC000835054733 629838585 /nfs/dbraw/zinc/83/85/85/629838585.db2.gz XTGQLDRICYCDFT-ARJAWSKDSA-N 0 0 324.424 3.096 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3cccc(F)c3F)ccc21 ZINC000102246861 630033310 /nfs/dbraw/zinc/03/33/10/630033310.db2.gz LFVTWRRIQNYIAT-UHFFFAOYSA-N 0 0 316.351 3.277 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NCC[C@@H](C)F)cc1F ZINC000836291839 630094448 /nfs/dbraw/zinc/09/44/48/630094448.db2.gz XRADCVWDOAAUGO-GFCCVEGCSA-N 0 0 313.392 3.219 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)N3CC[C@H](F)C3)cc2)CC1 ZINC000836290344 630094820 /nfs/dbraw/zinc/09/48/20/630094820.db2.gz YFXJMIBACWAFJS-INIZCTEOSA-N 0 0 319.424 3.176 20 10 DGCDRN Cc1ccnc(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000836406415 630110362 /nfs/dbraw/zinc/11/03/62/630110362.db2.gz RLLKLCRQKMIGLH-AWEZNQCLSA-N 0 0 312.417 3.016 20 10 DGCDRN CCC[C@H](NC(=O)NCc1ccc(OC)cc1O)C(C)(C)C ZINC000836577363 630136372 /nfs/dbraw/zinc/13/63/72/630136372.db2.gz WVBPAACFJCREFL-HNNXBMFYSA-N 0 0 308.422 3.415 20 10 DGCDRN Cc1csc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000836581828 630136778 /nfs/dbraw/zinc/13/67/78/630136778.db2.gz SICSCQVFEMYHCT-UHFFFAOYSA-N 0 0 317.458 3.464 20 10 DGCDRN CC[C@H](NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)[C@@H](C)O ZINC000836860675 630175462 /nfs/dbraw/zinc/17/54/62/630175462.db2.gz YVBXXXYZXGUDGP-DYVFJYSZSA-N 0 0 318.392 3.122 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(COC)CCCC1 ZINC000837370722 630248439 /nfs/dbraw/zinc/24/84/39/630248439.db2.gz VDCLTFRGRPGISG-UHFFFAOYSA-N 0 0 318.461 3.308 20 10 DGCDRN C[C@H](NC(=O)[C@@H](C)C1CCC1)c1ccc(N2CCOCC2)cc1 ZINC000837367902 630248518 /nfs/dbraw/zinc/24/85/18/630248518.db2.gz LFGSPXLYKIYNQB-GJZGRUSLSA-N 0 0 316.445 3.137 20 10 DGCDRN CC1(C2(NC(=O)NCc3ccc(N4CCCC4)cc3)CC2)CC1 ZINC000837625785 630289118 /nfs/dbraw/zinc/28/91/18/630289118.db2.gz GDELHXJTXNJJTJ-UHFFFAOYSA-N 0 0 313.445 3.419 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@H]2C2CCC2)cc1 ZINC000102902078 630306556 /nfs/dbraw/zinc/30/65/56/630306556.db2.gz MZXOMZMBPZWDLD-KRWDZBQOSA-N 0 0 301.434 3.227 20 10 DGCDRN C[C@@H](NCc1nccc(C(F)(F)F)n1)c1cc(F)ccc1O ZINC000840869648 630369593 /nfs/dbraw/zinc/36/95/93/630369593.db2.gz NMKRRYAUYOSBCW-MRVPVSSYSA-N 0 0 315.270 3.191 20 10 DGCDRN CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000840889946 630373016 /nfs/dbraw/zinc/37/30/16/630373016.db2.gz JJTOZXHINYSFQQ-RKDXNWHRSA-N 0 0 319.232 3.263 20 10 DGCDRN CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000840889939 630373151 /nfs/dbraw/zinc/37/31/51/630373151.db2.gz JJTOZXHINYSFQQ-BDAKNGLRSA-N 0 0 319.232 3.263 20 10 DGCDRN Cc1cc(CNCc2ccc(N3CCC(C)CC3)cc2)nn1C ZINC000840897034 630374663 /nfs/dbraw/zinc/37/46/63/630374663.db2.gz NVPHPZDRZRMZEZ-UHFFFAOYSA-N 0 0 312.461 3.255 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000840956714 630385372 /nfs/dbraw/zinc/38/53/72/630385372.db2.gz CSLURHRDQUVURS-GOEBONIOSA-N 0 0 321.779 3.493 20 10 DGCDRN CC(C)OCC(C)(C)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000840973731 630389257 /nfs/dbraw/zinc/38/92/57/630389257.db2.gz ODZXMISEBRWFCG-UHFFFAOYSA-N 0 0 316.785 3.247 20 10 DGCDRN O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC000840974919 630389411 /nfs/dbraw/zinc/38/94/11/630389411.db2.gz QKHISMWVMPRMEC-CQSZACIVSA-N 0 0 322.836 3.023 20 10 DGCDRN C[C@@H](CC(=O)[O-])[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000840995535 630392409 /nfs/dbraw/zinc/39/24/09/630392409.db2.gz SWUNKTRXNVHKRP-ZDUSSCGKSA-N 0 0 318.442 3.337 20 10 DGCDRN C[N@H+](CCC(=O)[O-])Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000840997182 630392549 /nfs/dbraw/zinc/39/25/49/630392549.db2.gz LECUQCFUABFCDE-UHFFFAOYSA-N 0 0 324.424 3.156 20 10 DGCDRN C[C@H](CC(=O)[O-])[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000840995534 630392716 /nfs/dbraw/zinc/39/27/16/630392716.db2.gz SWUNKTRXNVHKRP-CYBMUJFWSA-N 0 0 318.442 3.337 20 10 DGCDRN Cc1cccc(C[NH2+][C@@H](CCC(=O)[O-])Cc2ccccc2)c1O ZINC000840998636 630393133 /nfs/dbraw/zinc/39/31/33/630393133.db2.gz LSQVUNCQZXIXHK-KRWDZBQOSA-N 0 0 313.397 3.266 20 10 DGCDRN COc1cc(O)c(CNc2ccc3c(c2)CCCN3)cc1OC ZINC000841035750 630400077 /nfs/dbraw/zinc/40/00/77/630400077.db2.gz HYQJVNLVPPYMCU-UHFFFAOYSA-N 0 0 314.385 3.380 20 10 DGCDRN CCOc1c(OC)cc(CNc2ccc(N)cc2)cc1OC ZINC000841039834 630400498 /nfs/dbraw/zinc/40/04/98/630400498.db2.gz BTIFMAONTWMHOE-UHFFFAOYSA-N 0 0 302.374 3.297 20 10 DGCDRN CCOc1cc(NC(=O)NCCc2ccc(N)cc2)ccc1C ZINC000841101020 630407893 /nfs/dbraw/zinc/40/78/93/630407893.db2.gz HALSDIQHHROEGR-UHFFFAOYSA-N 0 0 313.401 3.340 20 10 DGCDRN Nc1ccc(NC(=O)NC[C@@H]2CCC3(CCCCC3)O2)cc1 ZINC000841297087 630424480 /nfs/dbraw/zinc/42/44/80/630424480.db2.gz NCLLNUSKRSJSCD-HNNXBMFYSA-N 0 0 303.406 3.272 20 10 DGCDRN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)Nc1ccc(N)cc1 ZINC000841297306 630424633 /nfs/dbraw/zinc/42/46/33/630424633.db2.gz DTVWDEPBKNOUMZ-YVEFUNNKSA-N 0 0 311.385 3.125 20 10 DGCDRN CC(C)(C)Oc1cccc(CNC(=O)Nc2ccc(N)cc2)n1 ZINC000841297829 630424651 /nfs/dbraw/zinc/42/46/51/630424651.db2.gz IOGGKGFBGCOPKV-UHFFFAOYSA-N 0 0 314.389 3.163 20 10 DGCDRN CCC1(CC)[C@H](N(C)C(=O)Nc2ccc(N)cc2)C[C@@H]1OC ZINC000841299216 630424665 /nfs/dbraw/zinc/42/46/65/630424665.db2.gz XBHRGWAFHXSSNJ-CABCVRRESA-N 0 0 305.422 3.326 20 10 DGCDRN CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)C1(CC)CC ZINC000841299508 630424950 /nfs/dbraw/zinc/42/49/50/630424950.db2.gz IDGWAYPJFFXOFR-HUUCEWRRSA-N 0 0 305.422 3.374 20 10 DGCDRN Nc1ccc(NC(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)cc1 ZINC000841301191 630424982 /nfs/dbraw/zinc/42/49/82/630424982.db2.gz FKLJNXDVVSYGRB-IAGOWNOFSA-N 0 0 311.385 3.311 20 10 DGCDRN C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@H](c2ccsc2)O1 ZINC000841300910 630425096 /nfs/dbraw/zinc/42/50/96/630425096.db2.gz WORJLHXRMQEWGS-IAQYHMDHSA-N 0 0 317.414 3.324 20 10 DGCDRN CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)Nc1ccc(N)cc1 ZINC000841299855 630425108 /nfs/dbraw/zinc/42/51/08/630425108.db2.gz IYCLLCMDJORMSC-SWLSCSKDSA-N 0 0 305.422 3.232 20 10 DGCDRN Cc1nccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)n1 ZINC000841494400 630442241 /nfs/dbraw/zinc/44/22/41/630442241.db2.gz AVLWLOYYCOIFCI-LCYFTJDESA-N 0 0 319.455 3.319 20 10 DGCDRN CO[C@@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)CC(C)C ZINC000841583999 630446491 /nfs/dbraw/zinc/44/64/91/630446491.db2.gz WTZJLOYXDMMTOS-WMLDXEAASA-N 0 0 321.465 3.174 20 10 DGCDRN COc1ccc(CNC(=O)N[C@H]2CCC[C@H]2C(C)(C)C)c(O)c1 ZINC000841590470 630447001 /nfs/dbraw/zinc/44/70/01/630447001.db2.gz OTJUAUJXYRMVAW-CABCVRRESA-N 0 0 320.433 3.415 20 10 DGCDRN Nc1ccc(CCNC(=O)N[C@@H](c2ccccc2)C2CC2)cc1 ZINC000841668789 630453683 /nfs/dbraw/zinc/45/36/83/630453683.db2.gz CVYBXTOUMPBUAL-SFHVURJKSA-N 0 0 309.413 3.262 20 10 DGCDRN Cc1cc(C(=O)Nc2cnccc2C)c(C)n1-c1ccccn1 ZINC000104453699 630457671 /nfs/dbraw/zinc/45/76/71/630457671.db2.gz ISRBAFLWMXXKKX-UHFFFAOYSA-N 0 0 306.369 3.445 20 10 DGCDRN COCCOCCCC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841748074 630461932 /nfs/dbraw/zinc/46/19/32/630461932.db2.gz VXPPBMKXVSXRSA-GFCCVEGCSA-N 0 0 301.814 3.139 20 10 DGCDRN C[C@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1ccc(Cl)cc1[O-] ZINC000841746158 630461952 /nfs/dbraw/zinc/46/19/52/630461952.db2.gz VTFCMXUZBUEGBE-NSHDSACASA-N 0 0 322.836 3.097 20 10 DGCDRN COCC1(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])CCOCC1 ZINC000841757841 630462832 /nfs/dbraw/zinc/46/28/32/630462832.db2.gz QHJBCJMCYSHYLH-GFCCVEGCSA-N 0 0 313.825 3.139 20 10 DGCDRN CN(C)c1ccc(C[NH2+][C@H](CC2CCCCC2)C(=O)[O-])cc1 ZINC000841809833 630466573 /nfs/dbraw/zinc/46/65/73/630466573.db2.gz AITODIVYZCUUPM-QGZVFWFLSA-N 0 0 304.434 3.266 20 10 DGCDRN O=C([O-])CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841812644 630467106 /nfs/dbraw/zinc/46/71/06/630467106.db2.gz OTUGPZNBOKIHML-GDBMZVCRSA-N 0 0 303.402 3.135 20 10 DGCDRN CCCN(CCC)c1ccc(C[NH2+][C@@H]2C=C[C@H](C(=O)[O-])C2)cc1 ZINC000841814153 630467634 /nfs/dbraw/zinc/46/76/34/630467634.db2.gz QSVIFSHVWBGDCG-DLBZAZTESA-N 0 0 316.445 3.432 20 10 DGCDRN Nc1ccc(CCNC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1 ZINC000841837795 630470264 /nfs/dbraw/zinc/47/02/64/630470264.db2.gz XUJFFNSVKJMLOH-BFYDXBDKSA-N 0 0 301.434 3.079 20 10 DGCDRN CC(C)C1CCC(NC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841861218 630471967 /nfs/dbraw/zinc/47/19/67/630471967.db2.gz XBMRUZHUJRLADW-UHFFFAOYSA-N 0 0 303.450 3.325 20 10 DGCDRN Nc1ccc(CCNC(=O)N[C@H]2CCCc3sccc32)cc1 ZINC000841876262 630472540 /nfs/dbraw/zinc/47/25/40/630472540.db2.gz AGDRKWLBYQGLEF-HNNXBMFYSA-N 0 0 315.442 3.250 20 10 DGCDRN Cc1cc(CN2CCCc3cc(OC(F)F)ccc32)n(C)n1 ZINC000841876236 630472717 /nfs/dbraw/zinc/47/27/17/630472717.db2.gz YNXOJZBZTPXLAH-UHFFFAOYSA-N 0 0 307.344 3.283 20 10 DGCDRN CC(C)(CNC(=O)NCCc1ccc(N)cc1)C1=CCCC1 ZINC000841916135 630475065 /nfs/dbraw/zinc/47/50/65/630475065.db2.gz YSZOINJGPOADSM-UHFFFAOYSA-N 0 0 301.434 3.247 20 10 DGCDRN CC[C@@H](C)[C@@H]1CCCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841953943 630476221 /nfs/dbraw/zinc/47/62/21/630476221.db2.gz GNLCUBVGAVXSMD-PBHICJAKSA-N 0 0 303.450 3.422 20 10 DGCDRN CON(C[C@@H]1CCC[C@H](C)C1)C(=O)NCCc1ccc(N)cc1 ZINC000841956247 630476785 /nfs/dbraw/zinc/47/67/85/630476785.db2.gz ZSTCELOQWRADFL-GOEBONIOSA-N 0 0 319.449 3.211 20 10 DGCDRN CCC[C@@H]1[C@@H](C)CCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841955327 630476862 /nfs/dbraw/zinc/47/68/62/630476862.db2.gz ZDMOBVPGWHYGJD-WMLDXEAASA-N 0 0 303.450 3.422 20 10 DGCDRN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)NCCc1ccc(N)cc1 ZINC000841957327 630476880 /nfs/dbraw/zinc/47/68/80/630476880.db2.gz HTLSPSKLVLYYOS-DNVCBOLYSA-N 0 0 323.440 3.399 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CCC=C(c3ccccc3)C2)cc1 ZINC000841957441 630476998 /nfs/dbraw/zinc/47/69/98/630476998.db2.gz BJMBADKOUBRYOJ-UHFFFAOYSA-N 0 0 321.424 3.310 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CCC[C@H]2c2ccccc2)cc1 ZINC000841961611 630477146 /nfs/dbraw/zinc/47/71/46/630477146.db2.gz FZMHOWIMXKYSBN-SFHVURJKSA-N 0 0 309.413 3.358 20 10 DGCDRN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)NCCc1ccc(N)cc1 ZINC000841961031 630477246 /nfs/dbraw/zinc/47/72/46/630477246.db2.gz ZIQHNYBROYIVEL-UKPHBRMFSA-N 0 0 301.434 3.174 20 10 DGCDRN Cc1cc(C)c2c(c1)CN(C(=O)NCCc1ccc(N)cc1)CC2 ZINC000841958659 630477284 /nfs/dbraw/zinc/47/72/84/630477284.db2.gz HWHOQCZMMFCVBF-UHFFFAOYSA-N 0 0 323.440 3.196 20 10 DGCDRN Nc1ccc(CCNC(=O)N2Cc3ccccc3C3(CC3)C2)cc1 ZINC000841960066 630477312 /nfs/dbraw/zinc/47/73/12/630477312.db2.gz TXQKCQWGSVPFCC-UHFFFAOYSA-N 0 0 321.424 3.068 20 10 DGCDRN COc1cc(N(C)C[C@H](CC(C)C)OC)cc(OC)c1OC ZINC000842149794 630498914 /nfs/dbraw/zinc/49/89/14/630498914.db2.gz FUEGSYXCHDMJJV-AWEZNQCLSA-N 0 0 311.422 3.210 20 10 DGCDRN C/C=C(\CC)C(=O)OC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000842876717 630587957 /nfs/dbraw/zinc/58/79/57/630587957.db2.gz VYCOPKPMFCGDPF-KMUBYUNESA-N 0 0 303.402 3.421 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)c3occc3C)C2)cc1 ZINC000842877262 630588488 /nfs/dbraw/zinc/58/84/88/630588488.db2.gz BOGBPIQQSSPJNQ-AWEZNQCLSA-N 0 0 315.369 3.280 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)C3CC=CC3)C2)cc1 ZINC000842878868 630588542 /nfs/dbraw/zinc/58/85/42/630588542.db2.gz MQEYOYZYKRZJIP-AWEZNQCLSA-N 0 0 301.386 3.031 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)C3CCCC3)C2)cc1 ZINC000842878841 630588547 /nfs/dbraw/zinc/58/85/47/630588547.db2.gz DFNHFAQFBJSGAQ-AWEZNQCLSA-N 0 0 303.402 3.255 20 10 DGCDRN CC/C=C(\C)C(=O)OC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000842878603 630588641 /nfs/dbraw/zinc/58/86/41/630588641.db2.gz MZKVMJGVZFSJJI-JVDKPVQESA-N 0 0 303.402 3.421 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2CCC(F)CC2)c1 ZINC000842927311 630594441 /nfs/dbraw/zinc/59/44/41/630594441.db2.gz FHXZADAEUMZADR-DCBWTQNWSA-N 0 0 309.381 3.358 20 10 DGCDRN CCc1ccc(NC(=O)NCc2cccc(OC)c2O)cc1 ZINC000104974417 630600425 /nfs/dbraw/zinc/60/04/25/630600425.db2.gz ZZIQZUQNGSFSFM-UHFFFAOYSA-N 0 0 300.358 3.285 20 10 DGCDRN COc1cccc(CNC(=O)Nc2cc(C)ccc2C)c1O ZINC000104968752 630600548 /nfs/dbraw/zinc/60/05/48/630600548.db2.gz ZDBIBBBRWGXKBX-UHFFFAOYSA-N 0 0 300.358 3.339 20 10 DGCDRN Cn1c2ccc(OC(=O)[C@@H]3CCCOC3)cc2c2c1CCCC2 ZINC000843019470 630604439 /nfs/dbraw/zinc/60/44/39/630604439.db2.gz SPJQCWOVNXJLEH-CYBMUJFWSA-N 0 0 313.397 3.389 20 10 DGCDRN Cc1cc(-c2nc(Cc3ccc(N)cc3)no2)nn1[C@@H](C)C1CC1 ZINC000843159165 630623344 /nfs/dbraw/zinc/62/33/44/630623344.db2.gz LVVMVLXBHYFSKT-LBPRGKRZSA-N 0 0 323.400 3.386 20 10 DGCDRN Nc1ccc(Cc2noc(C[C@@H]3OCCc4ccccc43)n2)cc1 ZINC000843160180 630623497 /nfs/dbraw/zinc/62/34/97/630623497.db2.gz WNJGVJBIJAISLL-KRWDZBQOSA-N 0 0 321.380 3.099 20 10 DGCDRN Cc1cc(O)c(CN2CCC[C@@H](CO)[C@H]2C(F)(F)F)cc1C ZINC000843413429 630653774 /nfs/dbraw/zinc/65/37/74/630653774.db2.gz IXVUHYQQVNJZTB-WFASDCNBSA-N 0 0 317.351 3.144 20 10 DGCDRN CC(C)[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])C1(CO)CC=CC1 ZINC000843433254 630658245 /nfs/dbraw/zinc/65/82/45/630658245.db2.gz VABWHSJKDIXQMT-MRXNPFEDSA-N 0 0 309.837 3.489 20 10 DGCDRN Cc1cccc2c1N(C1CC1)CCN2C(=O)Cc1ccc(N)cc1 ZINC000843495907 630663272 /nfs/dbraw/zinc/66/32/72/630663272.db2.gz XGYTXLKSXWEGLU-UHFFFAOYSA-N 0 0 321.424 3.135 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCC[C@@H]1C ZINC000105312002 630690186 /nfs/dbraw/zinc/69/01/86/630690186.db2.gz NCGDORPOSKARNB-WMLDXEAASA-N 0 0 303.450 3.473 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2CCS[C@@H]2C)c(C)n1-c1ccccn1 ZINC000844115877 630709920 /nfs/dbraw/zinc/70/99/20/630709920.db2.gz PPOJCPMYZAQDPT-UKRRQHHQSA-N 0 0 315.442 3.113 20 10 DGCDRN CCN(CC)c1ccc(CN(C)Cc2cc3n(n2)CCC3)cc1 ZINC000844271254 630714921 /nfs/dbraw/zinc/71/49/21/630714921.db2.gz OVJVTMSFMHCMRW-UHFFFAOYSA-N 0 0 312.461 3.308 20 10 DGCDRN COc1ccc(N(C)CCN(C)Cc2ncc(C3CC3)o2)cc1 ZINC000844402430 630724935 /nfs/dbraw/zinc/72/49/35/630724935.db2.gz XFYPEAMLWXWKQP-UHFFFAOYSA-N 0 0 315.417 3.129 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OCc1noc(C)n1 ZINC000105545267 630735738 /nfs/dbraw/zinc/73/57/38/630735738.db2.gz GLJVGBQRTQBPHR-UHFFFAOYSA-N 0 0 317.370 3.204 20 10 DGCDRN CSc1cccnc1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000844827679 630921465 /nfs/dbraw/zinc/92/14/65/630921465.db2.gz BMVCIGUCPZCETI-UHFFFAOYSA-N 0 0 316.430 3.191 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)CC[C@@H](C)SC)cc1 ZINC000844856595 630945291 /nfs/dbraw/zinc/94/52/91/630945291.db2.gz QJNPHJVHZGDJGP-CQSZACIVSA-N 0 0 324.490 3.122 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC1CC2(CCC2)C1 ZINC000844887124 630965563 /nfs/dbraw/zinc/96/55/63/630965563.db2.gz DEIUYYHGRUPDRE-UHFFFAOYSA-N 0 0 313.445 3.419 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)NCC1(C(F)(F)F)CC1 ZINC000845192352 631130120 /nfs/dbraw/zinc/13/01/20/631130120.db2.gz DQQNZNVCXDLXSS-UHFFFAOYSA-N 0 0 322.714 3.187 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[C@@H]2C2CCCC2)c1 ZINC000845834347 631198229 /nfs/dbraw/zinc/19/82/29/631198229.db2.gz SLRVMJDGJJKXGW-XZJROXQQSA-N 0 0 303.402 3.404 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)CC2(CSC)CC2)c1 ZINC000845833959 631198246 /nfs/dbraw/zinc/19/82/46/631198246.db2.gz PEWLZBNEYNPJIE-LLVKDONJSA-N 0 0 309.431 3.111 20 10 DGCDRN C[C@H](CO)C1CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000846058477 631208601 /nfs/dbraw/zinc/20/86/01/631208601.db2.gz PPHXTEKMWYFOAS-SNVBAGLBSA-N 0 0 301.789 3.025 20 10 DGCDRN C[C@H](CO)C1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000846058096 631208634 /nfs/dbraw/zinc/20/86/34/631208634.db2.gz LDGHDVOVGYRXJH-SNVBAGLBSA-N 0 0 301.789 3.025 20 10 DGCDRN COc1cccc([C@@H](C)Nc2cc(C)cc(OCCO)c2)c1O ZINC000846167230 631213165 /nfs/dbraw/zinc/21/31/65/631213165.db2.gz URZCXOGRGWHAHV-CYBMUJFWSA-N 0 0 317.385 3.253 20 10 DGCDRN CC[C@H](NC(=O)NCCc1ccc(N)cc1)c1ccccc1F ZINC000846172994 631213456 /nfs/dbraw/zinc/21/34/56/631213456.db2.gz PCEFVHYQUBYQLR-KRWDZBQOSA-N 0 0 315.392 3.401 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cccc(C(F)(F)F)c1[O-] ZINC000846190497 631214445 /nfs/dbraw/zinc/21/44/45/631214445.db2.gz QNMJKFAVMQBFBY-RQSQLSILSA-N 0 0 301.308 3.382 20 10 DGCDRN Cc1cc(C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)ccc1N1CCCCC1 ZINC000846261820 631217615 /nfs/dbraw/zinc/21/76/15/631217615.db2.gz UHNUMCPHQURNOQ-QGZVFWFLSA-N 0 0 316.445 3.282 20 10 DGCDRN CCS[C@H](C(=O)NCc1cc(Cl)ccc1O)C(C)C ZINC000846472380 631249572 /nfs/dbraw/zinc/24/95/72/631249572.db2.gz JBIMXVFLERSLPM-ZDUSSCGKSA-N 0 0 301.839 3.440 20 10 DGCDRN C[C@@H]1C(=O)CC[C@@H](C(=O)NCc2cc(Cl)ccc2O)C1(C)C ZINC000846474166 631249599 /nfs/dbraw/zinc/24/95/99/631249599.db2.gz RREGISBYVHWQJY-MFKMUULPSA-N 0 0 323.820 3.303 20 10 DGCDRN Cc1ncc(C(=O)NCc2cc(Cl)ccc2O)c(C(C)C)n1 ZINC000846476302 631250620 /nfs/dbraw/zinc/25/06/20/631250620.db2.gz NKDGKGDKGLFXSH-UHFFFAOYSA-N 0 0 319.792 3.197 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CC12CCSCC2 ZINC000846475644 631250656 /nfs/dbraw/zinc/25/06/56/631250656.db2.gz DLNAZAZYWPWUQC-LBPRGKRZSA-N 0 0 311.834 3.195 20 10 DGCDRN Cc1n[nH]c(C)c1[C@H](C)CC(=O)NCc1cc(Cl)ccc1O ZINC000846477916 631251193 /nfs/dbraw/zinc/25/11/93/631251193.db2.gz XOMGRBVLAQYOTB-SECBINFHSA-N 0 0 321.808 3.196 20 10 DGCDRN Cc1ccc(C(=O)NCCC[C@@H]2CC2(Cl)Cl)c(O)c1O ZINC000846585905 631270251 /nfs/dbraw/zinc/27/02/51/631270251.db2.gz AMDNQZHCSLWBOA-SECBINFHSA-N 0 0 318.200 3.110 20 10 DGCDRN C[C@H]1CN(C(=O)C2=CC(=O)CS2)CCc2ccc(F)cc21 ZINC000846662457 631281262 /nfs/dbraw/zinc/28/12/62/631281262.db2.gz RMMDOBNYNBIOKS-JTQLQIEISA-N 0 0 305.374 3.395 20 10 DGCDRN C/C(=C/c1cccnc1)C(=O)N(C[C@H]1CCCO1)c1ccncc1 ZINC000846879772 631337603 /nfs/dbraw/zinc/33/76/03/631337603.db2.gz QELYTPNBRWMSQJ-WTQUMQLASA-N 0 0 323.396 3.092 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC000106577203 631341161 /nfs/dbraw/zinc/34/11/61/631341161.db2.gz VTBNNUIIFOJISA-MRXNPFEDSA-N 0 0 314.360 3.360 20 10 DGCDRN COc1ccc(CNC(=O)C2CC3(C2)CCCCC3)c(O)c1 ZINC000846951083 631363480 /nfs/dbraw/zinc/36/34/80/631363480.db2.gz VBYNCMRVJQMDLP-UHFFFAOYSA-N 0 0 303.402 3.378 20 10 DGCDRN COc1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2C)c(O)c1 ZINC000846951002 631363705 /nfs/dbraw/zinc/36/37/05/631363705.db2.gz SWOAWBMOROZZSQ-DLBZAZTESA-N 0 0 311.381 3.129 20 10 DGCDRN C/C(=C\c1ccncc1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000846976809 631371388 /nfs/dbraw/zinc/37/13/88/631371388.db2.gz HKNOGDFOQGVCEZ-BUYIWHAFSA-N 0 0 309.413 3.428 20 10 DGCDRN C/C(=C/c1ccncc1)C(=O)NCCCSc1nccs1 ZINC000847487994 631481376 /nfs/dbraw/zinc/48/13/76/631481376.db2.gz PLAJSFMOLIYELQ-QXMHVHEDSA-N 0 0 319.455 3.240 20 10 DGCDRN COC[C@@H](C)CCOC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000847869624 631564097 /nfs/dbraw/zinc/56/40/97/631564097.db2.gz AERKVGOUSQIKNB-ZDUSSCGKSA-N 0 0 316.401 3.319 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCSC12CCCCC2 ZINC000848051627 631604448 /nfs/dbraw/zinc/60/44/48/631604448.db2.gz SPLPWEPMZUEKQM-FNORWQNLSA-N 0 0 319.426 3.347 20 10 DGCDRN CCN(C(=O)/C=C\c1cnc(C(C)(C)C)s1)c1cnn(C)c1 ZINC000848342520 631647457 /nfs/dbraw/zinc/64/74/57/631647457.db2.gz NMAIOHIEFIDOSQ-FPLPWBNLSA-N 0 0 318.446 3.240 20 10 DGCDRN Cc1noc(CN(C)C(=O)c2ccc(-n3c(C)ccc3C)cc2)n1 ZINC000848354231 631649511 /nfs/dbraw/zinc/64/95/11/631649511.db2.gz QEMKWGFPOYJVRK-UHFFFAOYSA-N 0 0 324.384 3.058 20 10 DGCDRN CC[C@@H](C)c1nc(C)c(CC(=O)Nc2ccc(N)cc2)c(C)n1 ZINC000848392924 631652553 /nfs/dbraw/zinc/65/25/53/631652553.db2.gz KJDLLVUIVFSCQT-LLVKDONJSA-N 0 0 312.417 3.370 20 10 DGCDRN COc1ccc(O)c(CNc2cc(SC)nc(SC)n2)c1 ZINC000848665056 631722409 /nfs/dbraw/zinc/72/24/09/631722409.db2.gz KQCWVJPPTRFKHK-UHFFFAOYSA-N 0 0 323.443 3.247 20 10 DGCDRN COc1ccc(CNc2cc(SC)nc(SC)n2)c(O)c1 ZINC000848694585 631729093 /nfs/dbraw/zinc/72/90/93/631729093.db2.gz XSGSXPZKWNJRQR-UHFFFAOYSA-N 0 0 323.443 3.247 20 10 DGCDRN COC(=O)/C=C\c1ccc(CN2CCc3cc(OC)ccc32)o1 ZINC000848876409 631767149 /nfs/dbraw/zinc/76/71/49/631767149.db2.gz IMJUHTSQCUDJNH-VURMDHGXSA-N 0 0 313.353 3.037 20 10 DGCDRN CCc1cccc(CNc2ccc([S@@](C)=O)c(F)c2)c1O ZINC000848890736 631774000 /nfs/dbraw/zinc/77/40/00/631774000.db2.gz KWTFSVZZXFXLCR-OAQYLSRUSA-N 0 0 307.390 3.443 20 10 DGCDRN Cc1cccc(CN[C@H](C[C@@H]2CCCO2)C(F)(F)F)c1O ZINC000848927785 631790861 /nfs/dbraw/zinc/79/08/61/631790861.db2.gz NQBKXXUZDAJCFP-QWHCGFSZSA-N 0 0 303.324 3.290 20 10 DGCDRN Cc1ccc(O)c(CN(CC(=O)OC(C)(C)C)C2CCC2)c1 ZINC000848928065 631791964 /nfs/dbraw/zinc/79/19/64/631791964.db2.gz VDARYARBWMMMLU-UHFFFAOYSA-N 0 0 305.418 3.397 20 10 DGCDRN COc1ccnc(CNC(=S)Nc2cc(C)cc(C)c2)c1F ZINC000849296245 631883039 /nfs/dbraw/zinc/88/30/39/631883039.db2.gz BQRWIDAXFOHYDO-UHFFFAOYSA-N 0 0 319.405 3.333 20 10 DGCDRN Cc1cc(C[N@@H+]2CC3CC2(C(=O)[O-])C3)ccc1N1CCCCC1 ZINC000849345588 631898298 /nfs/dbraw/zinc/89/82/98/631898298.db2.gz YRXVODKKSBPDHD-UHFFFAOYSA-N 0 0 314.429 3.034 20 10 DGCDRN CCN(C(C)=O)c1ccc(NCc2c(O)cccc2Cl)cn1 ZINC000849347062 631899291 /nfs/dbraw/zinc/89/92/91/631899291.db2.gz PIDCATZCMQFTJQ-UHFFFAOYSA-N 0 0 319.792 3.426 20 10 DGCDRN CCN(CC)c1ccc(CNCc2nc(C)c(C)[nH]2)cc1F ZINC000850129817 632061875 /nfs/dbraw/zinc/06/18/75/632061875.db2.gz XXJGBCYCPMRMCP-UHFFFAOYSA-N 0 0 304.413 3.302 20 10 DGCDRN C[C@H](C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccn1 ZINC000850341304 632118268 /nfs/dbraw/zinc/11/82/68/632118268.db2.gz GHEQLZDBMWMOJB-SNVBAGLBSA-N 0 0 321.764 3.242 20 10 DGCDRN C[C@@H]1C[C@H](NCc2ccc(N3CCCCC3)cc2)c2ncnn21 ZINC000850352410 632122912 /nfs/dbraw/zinc/12/29/12/632122912.db2.gz VAQXDODHEZLJAM-PBHICJAKSA-N 0 0 311.433 3.064 20 10 DGCDRN C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])c2ncnn21 ZINC000850352280 632123050 /nfs/dbraw/zinc/12/30/50/632123050.db2.gz QYXZYWBWEHEYAH-HQJQHLMTSA-N 0 0 313.188 3.086 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+]CCc2ccoc2)c1 ZINC000850376942 632130670 /nfs/dbraw/zinc/13/06/70/632130670.db2.gz PBFAYKJZRWDYKF-UHFFFAOYSA-N 0 0 310.191 3.388 20 10 DGCDRN C[C@H]1CCC[C@@H](C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])O1 ZINC000850379801 632133124 /nfs/dbraw/zinc/13/31/24/632133124.db2.gz YFRFNKYCFXIVRL-CABZTGNLSA-N 0 0 314.769 3.001 20 10 DGCDRN COc1ccnc(CNC/C=C/c2ccc(N(C)C)cc2)c1F ZINC000850381139 632134050 /nfs/dbraw/zinc/13/40/50/632134050.db2.gz VBLUWQUZGUQJNZ-SNAWJCMRSA-N 0 0 315.392 3.098 20 10 DGCDRN CC[C@H]([NH2+][C@H](COC)C1CCOCC1)c1ccc(F)cc1[O-] ZINC000850494865 632170925 /nfs/dbraw/zinc/17/09/25/632170925.db2.gz YNDVJKJXDWFPRB-JKSUJKDBSA-N 0 0 311.397 3.014 20 10 DGCDRN CSCC1(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000850507781 632174214 /nfs/dbraw/zinc/17/42/14/632174214.db2.gz QEEJLRNIPOUKKC-NSHDSACASA-N 0 0 310.419 3.484 20 10 DGCDRN COc1cccc(OC)c1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000850505608 632174599 /nfs/dbraw/zinc/17/45/99/632174599.db2.gz TZLQYLGIDSFXJB-NSHDSACASA-N 0 0 305.349 3.399 20 10 DGCDRN C[C@H](CN1CCC(C)CC1)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850542950 632188197 /nfs/dbraw/zinc/18/81/97/632188197.db2.gz DIEZKVGGCXKTMY-KGLIPLIRSA-N 0 0 321.421 3.071 20 10 DGCDRN C[C@H](CN1CCC(C)CC1)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000850544114 632188232 /nfs/dbraw/zinc/18/82/32/632188232.db2.gz TUPRETARZZTSTJ-CHWSQXEVSA-N 0 0 312.404 3.441 20 10 DGCDRN Cc1cc(Br)cc([C@@H](C)NCc2ncccn2)c1O ZINC000850551583 632190136 /nfs/dbraw/zinc/19/01/36/632190136.db2.gz HXQGGGVUQPXREN-SNVBAGLBSA-N 0 0 322.206 3.104 20 10 DGCDRN CNC(=O)CC1(C[NH2+][C@H](C)c2ccc(F)cc2[O-])CCCCC1 ZINC000850556598 632191860 /nfs/dbraw/zinc/19/18/60/632191860.db2.gz ROMICEKUPDMGOQ-CYBMUJFWSA-N 0 0 322.424 3.269 20 10 DGCDRN CO[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C1CCCC1 ZINC000850561053 632194603 /nfs/dbraw/zinc/19/46/03/632194603.db2.gz HNZOKGAMBSUWAN-BDJLRTHQSA-N 0 0 308.378 3.156 20 10 DGCDRN Nc1ccc(NC(=O)N2CCC[C@H]([C@H]3CCCCO3)C2)cc1 ZINC000850750980 632215231 /nfs/dbraw/zinc/21/52/31/632215231.db2.gz RPLFLBMNLHDINC-XJKSGUPXSA-N 0 0 303.406 3.082 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)Cn3cc(C4CC4)cn3)cc12 ZINC000851092420 632307280 /nfs/dbraw/zinc/30/72/80/632307280.db2.gz ITMYBSBYCNLPLA-UHFFFAOYSA-N 0 0 323.396 3.475 20 10 DGCDRN CC[C@H](C)CCNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000851641316 632465298 /nfs/dbraw/zinc/46/52/98/632465298.db2.gz KCVBGHHZBQKSDA-LBPRGKRZSA-N 0 0 317.458 3.482 20 10 DGCDRN CCOc1ccc(N(CC)Cc2onc(C)c2[N+](=O)[O-])cc1 ZINC000851830573 632505020 /nfs/dbraw/zinc/50/50/20/632505020.db2.gz ZSLNFTUXCQTRSQ-UHFFFAOYSA-N 0 0 305.334 3.316 20 10 DGCDRN CO[C@@H](C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)C1CCC1 ZINC000851840422 632506955 /nfs/dbraw/zinc/50/69/55/632506955.db2.gz GPXVWIZPXBQFAS-HKUYNNGSSA-N 0 0 319.445 3.188 20 10 DGCDRN CC1(C)CC(NC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000851987062 632534017 /nfs/dbraw/zinc/53/40/17/632534017.db2.gz JIAFXKXPSCANJV-UHFFFAOYSA-N 0 0 301.434 3.275 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NCCc2ccoc2)cc1 ZINC000851986894 632534279 /nfs/dbraw/zinc/53/42/79/632534279.db2.gz HROZKPWRBONXSP-UHFFFAOYSA-N 0 0 315.417 3.168 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@H]3C[C@H]3C2)cc1 ZINC000851987472 632534550 /nfs/dbraw/zinc/53/45/50/632534550.db2.gz OALCUYGJOAMQPT-HOTGVXAUSA-N 0 0 301.434 3.084 20 10 DGCDRN CCC[C@@H](CC)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852024809 632541222 /nfs/dbraw/zinc/54/12/22/632541222.db2.gz NPXLPRGQGUISIH-CABCVRRESA-N 0 0 319.449 3.152 20 10 DGCDRN CCC(CC)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852068991 632548770 /nfs/dbraw/zinc/54/87/70/632548770.db2.gz SWSHZUYXFMVWMU-HNNXBMFYSA-N 0 0 319.449 3.009 20 10 DGCDRN COc1cc(CN2CCCc3cc(OC)cc(OC)c32)sn1 ZINC000852171832 632566868 /nfs/dbraw/zinc/56/68/68/632566868.db2.gz AZSZFPILTPDRLO-UHFFFAOYSA-N 0 0 320.414 3.122 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@H]2C[C@H]2C1 ZINC000852385733 632598025 /nfs/dbraw/zinc/59/80/25/632598025.db2.gz SQWNKGQGDONPJB-XIRDDKMYSA-N 0 0 315.461 3.043 20 10 DGCDRN CC[C@@H](C)CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852450672 632605809 /nfs/dbraw/zinc/60/58/09/632605809.db2.gz RFXDPVWDQIWCCD-CABCVRRESA-N 0 0 319.449 3.009 20 10 DGCDRN COc1ccc(CNC(=O)NCc2cc(C)cc(C)c2)c(O)c1 ZINC000852536869 632619428 /nfs/dbraw/zinc/61/94/28/632619428.db2.gz CTVMSTFGDPDMLV-UHFFFAOYSA-N 0 0 314.385 3.017 20 10 DGCDRN CCCN(CC(=O)OC(C)(C)C)Cc1cc(C)cc(OC)c1O ZINC000184843402 660189981 /nfs/dbraw/zinc/18/99/81/660189981.db2.gz LGFICIZUYKPPBN-UHFFFAOYSA-N 0 0 323.433 3.263 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(F)cc1F ZINC000184926854 660194783 /nfs/dbraw/zinc/19/47/83/660194783.db2.gz RYZQQNOUXKAZOQ-SECBINFHSA-N 0 0 322.311 3.129 20 10 DGCDRN Cc1ncc(/C=C/C(=O)N2C[C@H](C)Oc3c(F)cccc32)s1 ZINC000185555296 660229596 /nfs/dbraw/zinc/22/95/96/660229596.db2.gz CINRGTNIEOBDCR-FGEFZZPRSA-N 0 0 318.373 3.418 20 10 DGCDRN COc1cc(C)sc1C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000073110664 660242556 /nfs/dbraw/zinc/24/25/56/660242556.db2.gz HZZADRYRGNWSTQ-JTQLQIEISA-N 0 0 321.398 3.270 20 10 DGCDRN O=C(Nc1cccc(N2CCOCC2)c1)c1cc(F)cc(F)c1 ZINC000131737046 660447742 /nfs/dbraw/zinc/44/77/42/660447742.db2.gz ASJCIZBZAPQQSE-UHFFFAOYSA-N 0 0 318.323 3.054 20 10 DGCDRN Cc1ncccc1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000705569501 660837621 /nfs/dbraw/zinc/83/76/21/660837621.db2.gz YKZDFQKHMADMAX-UHFFFAOYSA-N 0 0 307.191 3.148 20 10 DGCDRN CC[C@H]1CN(Cc2c(O)cccc2Br)C[C@@H](C)O1 ZINC000707140241 660887237 /nfs/dbraw/zinc/88/72/37/660887237.db2.gz OONJAKYWLBGTQH-MNOVXSKESA-N 0 0 314.223 3.154 20 10 DGCDRN C[C@]1([NH2+]Cc2cc(Cl)cc(Br)c2[O-])CCOC1 ZINC000708057514 660917069 /nfs/dbraw/zinc/91/70/69/660917069.db2.gz VQRNKCOGTQSXOX-LBPRGKRZSA-N 0 0 320.614 3.077 20 10 DGCDRN CCOCCC[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708098981 660918061 /nfs/dbraw/zinc/91/80/61/660918061.db2.gz NWGZLRCEDHSICR-UHFFFAOYSA-N 0 0 322.630 3.324 20 10 DGCDRN CC[C@H](CCO)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708098545 660918092 /nfs/dbraw/zinc/91/80/92/660918092.db2.gz JQHQCXCJNUPZFW-SNVBAGLBSA-N 0 0 322.630 3.059 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1CCN1Cc1ccccc1 ZINC000708435962 660920981 /nfs/dbraw/zinc/92/09/81/660920981.db2.gz HJLPMZXYLRGHAW-MRXNPFEDSA-N 0 0 318.367 3.035 20 10 DGCDRN CCC[C@@H](NC(=O)C1=CC(=O)CS1)[C@@H](O)c1ccccc1 ZINC000792683244 660979361 /nfs/dbraw/zinc/97/93/61/660979361.db2.gz RUPHJUZTFCSOLJ-HIFRSBDPSA-N 0 0 305.399 3.086 20 10 DGCDRN CCC[C@H](NC(=O)C1=CC(=O)CS1)[C@@H](O)c1ccccc1 ZINC000792683246 660979449 /nfs/dbraw/zinc/97/94/49/660979449.db2.gz RUPHJUZTFCSOLJ-ZFWWWQNUSA-N 0 0 305.399 3.086 20 10 DGCDRN CN(C)c1ccc(CN(C)Cc2cc[nH]n2)c(C(F)(F)F)c1 ZINC000792818605 660986497 /nfs/dbraw/zinc/98/64/97/660986497.db2.gz CLYSDSCAFYMMIM-UHFFFAOYSA-N 0 0 312.339 3.127 20 10 DGCDRN CC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(OC)cc1O ZINC000792833368 660987388 /nfs/dbraw/zinc/98/73/88/660987388.db2.gz AMXGXWXQYFZRLF-WFASDCNBSA-N 0 0 306.406 3.169 20 10 DGCDRN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc2c(c1)CCCC2 ZINC000792882427 660991285 /nfs/dbraw/zinc/99/12/85/660991285.db2.gz GDSBQDSNVVNDKX-AQTBWJFISA-N 0 0 318.376 3.027 20 10 DGCDRN CC[C@@H](C)[C@@H](OC)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000792989112 660998908 /nfs/dbraw/zinc/99/89/08/660998908.db2.gz YYZCTWVMNYGRAF-RDTXWAMCSA-N 0 0 318.461 3.305 20 10 DGCDRN Cc1cc(NCc2ccc(N(C)C)cc2C(F)(F)F)nn1C ZINC000793030853 661001111 /nfs/dbraw/zinc/00/11/11/661001111.db2.gz ZIHBKSOKHQNRGI-UHFFFAOYSA-N 0 0 312.339 3.425 20 10 DGCDRN O=C(NCCCSc1nccs1)N1CCC(F)(F)CC1 ZINC000793103591 661005085 /nfs/dbraw/zinc/00/50/85/661005085.db2.gz OCBYGXJBLAOOSZ-UHFFFAOYSA-N 0 0 321.418 3.066 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CC[C@@H](C)C2)c1 ZINC000793274332 661019858 /nfs/dbraw/zinc/01/98/58/661019858.db2.gz SRRLLBILXMVIEZ-AGIUHOORSA-N 0 0 306.406 3.197 20 10 DGCDRN CCCN(CCC)c1ccc(CNCc2ncnn2CC)cc1 ZINC000793345943 661025758 /nfs/dbraw/zinc/02/57/58/661025758.db2.gz KGLSSRYXHWFQDS-UHFFFAOYSA-N 0 0 315.465 3.214 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCCc2ccccc2F)c1 ZINC000793348268 661025880 /nfs/dbraw/zinc/02/58/80/661025880.db2.gz XDRYJPVDOACEAK-UHFFFAOYSA-N 0 0 304.321 3.162 20 10 DGCDRN CC[C@@H](C)CC[C@H](O)CC(=O)NCc1ccc(N(C)C)cc1C ZINC000793517955 661040471 /nfs/dbraw/zinc/04/04/71/661040471.db2.gz YLBUCLWAVRSDPW-KDOFPFPSSA-N 0 0 320.477 3.255 20 10 DGCDRN CN(C)Cc1ccc(NC(=O)c2cccc(O)c2O)cc1Cl ZINC000794233261 661073439 /nfs/dbraw/zinc/07/34/39/661073439.db2.gz MDDQZIQXBKWYIA-UHFFFAOYSA-N 0 0 320.776 3.065 20 10 DGCDRN COc1ccc(CNC(=O)c2ccc(-n3cccc3)cc2)c(O)c1 ZINC000794371151 661081552 /nfs/dbraw/zinc/08/15/52/661081552.db2.gz XHXJZCNAKUVFAX-UHFFFAOYSA-N 0 0 322.364 3.122 20 10 DGCDRN COc1ccc(CNC(=O)Cc2c[nH]c3cccc(C)c23)c(O)c1 ZINC000794379397 661081707 /nfs/dbraw/zinc/08/17/07/661081707.db2.gz QXUFFJPINVVSEE-UHFFFAOYSA-N 0 0 324.380 3.049 20 10 DGCDRN COc1ccc(CNC(=O)c2cc(SC)ccc2C)c(O)c1 ZINC000794377980 661081739 /nfs/dbraw/zinc/08/17/39/661081739.db2.gz BOJKQFDXHOIQHC-UHFFFAOYSA-N 0 0 317.410 3.361 20 10 DGCDRN COc1ccc(CNC(=O)CCn2ccc3ccccc32)c(O)c1 ZINC000794382505 661082172 /nfs/dbraw/zinc/08/21/72/661082172.db2.gz BZHFFPPBBQBJEB-UHFFFAOYSA-N 0 0 324.380 3.062 20 10 DGCDRN COc1ccc(CNC(=O)C/C=C/c2cccc(F)c2)c(O)c1 ZINC000794387577 661082498 /nfs/dbraw/zinc/08/24/98/661082498.db2.gz LLLMNNZOCAXACG-HWKANZROSA-N 0 0 315.344 3.260 20 10 DGCDRN COc1ccc(CNC(=O)/C(C)=C\c2ccc(C)cc2)c(O)c1 ZINC000794389678 661082571 /nfs/dbraw/zinc/08/25/71/661082571.db2.gz CDKANJNPFCRYOA-UVTDQMKNSA-N 0 0 311.381 3.429 20 10 DGCDRN COc1ccc(CNC(=O)[C@H](C)c2cccc(Cl)c2)c(O)c1 ZINC000794387709 661082628 /nfs/dbraw/zinc/08/26/28/661082628.db2.gz KDLFJZXHWHPDIR-LLVKDONJSA-N 0 0 319.788 3.474 20 10 DGCDRN COc1ccc(CNC(=O)Nc2cc(F)ccc2F)c(O)c1 ZINC000794761575 661104378 /nfs/dbraw/zinc/10/43/78/661104378.db2.gz HOOUPACGWVFOCI-UHFFFAOYSA-N 0 0 308.284 3.001 20 10 DGCDRN COc1ccc(CNc2cc(C)nc(-c3cccnc3)n2)c(O)c1 ZINC000795284268 661138209 /nfs/dbraw/zinc/13/82/09/661138209.db2.gz JQXNXOBZPFUVOV-UHFFFAOYSA-N 0 0 322.368 3.173 20 10 DGCDRN COc1ccc(N2CCN(C/C(Cl)=C\Cl)CC2)cc1 ZINC000254989808 655555590 /nfs/dbraw/zinc/55/55/90/655555590.db2.gz KTTWERRICXQGFX-ZRDIBKRKSA-N 0 0 301.217 3.136 20 10 DGCDRN COc1ccc(O)c(CNC(=O)/C=C\c2ccc(Cl)s2)c1 ZINC000255045777 655572020 /nfs/dbraw/zinc/57/20/20/655572020.db2.gz FORZSROWZZRHAK-DAXSKMNVSA-N 0 0 323.801 3.445 20 10 DGCDRN Cc1cc(O)c(CN2C[C@H](C(F)(F)F)OC[C@@H]2C)cc1C ZINC000795694943 661168288 /nfs/dbraw/zinc/16/82/88/661168288.db2.gz UVZWEHBFNRMBSA-SMDDNHRTSA-N 0 0 303.324 3.161 20 10 DGCDRN COc1cc(O)c(CN(C)c2ccc(F)c(F)c2)cc1OC ZINC000160488610 655644156 /nfs/dbraw/zinc/64/41/56/655644156.db2.gz ZMYITRNNMOPYJJ-UHFFFAOYSA-N 0 0 309.312 3.324 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)/C=C\c2cccnc2)cc1 ZINC000255288721 655686933 /nfs/dbraw/zinc/68/69/33/655686933.db2.gz XPCVAYGTALHQLH-XFXZXTDPSA-N 0 0 309.413 3.257 20 10 DGCDRN C[C@](NC(=O)N1Cc2cccc(O)c2C1)(C1CC1)C(F)(F)F ZINC000933560295 655720273 /nfs/dbraw/zinc/72/02/73/655720273.db2.gz UNYIPXVAUJYDLB-AWEZNQCLSA-N 0 0 314.307 3.148 20 10 DGCDRN Cc1cncc(/C=C\C(=O)NCCCSc2nccs2)c1 ZINC000255378362 655722770 /nfs/dbraw/zinc/72/27/70/655722770.db2.gz BZHKTIJWTIYBPY-ARJAWSKDSA-N 0 0 319.455 3.158 20 10 DGCDRN Cc1cc(C(=O)Nc2nc[nH]n2)c(C)n1-c1cc(C)cc(C)c1 ZINC000176051888 655726205 /nfs/dbraw/zinc/72/62/05/655726205.db2.gz GBPQPNGWOHTASA-UHFFFAOYSA-N 0 0 309.373 3.081 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]C1CC(F)(F)C1 ZINC000715804584 655740469 /nfs/dbraw/zinc/74/04/69/655740469.db2.gz PRUYTDYEMBLSAL-UHFFFAOYSA-N 0 0 310.113 3.181 20 10 DGCDRN C[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)[C@H]1C ZINC000178562519 655772800 /nfs/dbraw/zinc/77/28/00/655772800.db2.gz CWYZXHYYTOIFNT-GJZGRUSLSA-N 0 0 301.434 3.227 20 10 DGCDRN C[C@@H]1CN(C(=O)/C=C\c2cncc(F)c2)c2ccc(F)cc2O1 ZINC000255718999 655891754 /nfs/dbraw/zinc/89/17/54/655891754.db2.gz PQFXSKJCVJFPDK-SRMRHOMVSA-N 0 0 316.307 3.187 20 10 DGCDRN O=C(/C=C\c1ccc(Cl)cc1)NCc1ccc(O)c(O)c1 ZINC000255757159 655893206 /nfs/dbraw/zinc/89/32/06/655893206.db2.gz UDUKLBDNOAUPJU-YWEYNIOJSA-N 0 0 303.745 3.081 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)c(O)c1O ZINC000179465841 655893417 /nfs/dbraw/zinc/89/34/17/655893417.db2.gz RDKVVFFIRAKZCQ-UHFFFAOYSA-N 0 0 309.325 3.049 20 10 DGCDRN Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(C)c(O)c1O ZINC000179473869 655893709 /nfs/dbraw/zinc/89/37/09/655893709.db2.gz CETIMUQIYVHUMF-UHFFFAOYSA-N 0 0 324.380 3.168 20 10 DGCDRN CCC1(CNC(=O)N[C@H](C)c2cc(OC)ccc2O)CCC1 ZINC000177385763 655923478 /nfs/dbraw/zinc/92/34/78/655923478.db2.gz XSXREPQJNKIMAS-GFCCVEGCSA-N 0 0 306.406 3.341 20 10 DGCDRN COC(C)(C)C[N@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000715798711 661213823 /nfs/dbraw/zinc/21/38/23/661213823.db2.gz XHWODMHZTBEQLG-UHFFFAOYSA-N 0 0 320.202 3.151 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(C)c(F)cc2F)c1 ZINC000178205136 655962100 /nfs/dbraw/zinc/96/21/00/655962100.db2.gz HQFYUSUOQNFTAE-JTQLQIEISA-N 0 0 321.323 3.478 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)c(F)cc2F)c1 ZINC000178205148 655962203 /nfs/dbraw/zinc/96/22/03/655962203.db2.gz HQFYUSUOQNFTAE-SNVBAGLBSA-N 0 0 321.323 3.478 20 10 DGCDRN COc1cccc(CNc2cc3c(cc2Cl)OCO3)c1O ZINC000036970078 661211087 /nfs/dbraw/zinc/21/10/87/661211087.db2.gz PVVGXINRDYQEGS-UHFFFAOYSA-N 0 0 307.733 3.395 20 10 DGCDRN CO[C@H](C[NH2+]Cc1cc(Br)cc(F)c1[O-])C(C)C ZINC000715799192 661213627 /nfs/dbraw/zinc/21/36/27/661213627.db2.gz ZLEPBVYZOYIMMD-GFCCVEGCSA-N 0 0 320.202 3.054 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]C[C@H]1CCC=CO1 ZINC000715712141 661214243 /nfs/dbraw/zinc/21/42/43/661214243.db2.gz IZJCHDARMRXTBJ-LLVKDONJSA-N 0 0 316.170 3.076 20 10 DGCDRN C[C@@H]1CSC[C@H]1[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715768161 661214753 /nfs/dbraw/zinc/21/47/53/661214753.db2.gz BWRKFSWABCGALW-RDDDGLTNSA-N 0 0 320.227 3.135 20 10 DGCDRN C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000328185136 656055834 /nfs/dbraw/zinc/05/58/34/656055834.db2.gz OITMHFVOAZCODW-YMTOWFKASA-N 0 0 304.217 3.340 20 10 DGCDRN O=C(Cc1ccncc1)N(Cc1ccco1)Cc1ccccc1O ZINC000182108660 656102978 /nfs/dbraw/zinc/10/29/78/656102978.db2.gz CRBGMCMAWSPHSJ-UHFFFAOYSA-N 0 0 322.364 3.152 20 10 DGCDRN Cc1ccc(Cl)c(OCC(=O)N(C)c2ccc(N)cc2)c1 ZINC000037285452 661224364 /nfs/dbraw/zinc/22/43/64/661224364.db2.gz RSEVTHSHPONALX-UHFFFAOYSA-N 0 0 304.777 3.272 20 10 DGCDRN COc1ccc(O)c([C@H](C)N[C@@H](C)c2nc(C3CC3)no2)c1 ZINC000182345788 656104875 /nfs/dbraw/zinc/10/48/75/656104875.db2.gz ORZIKWFKTQTREK-UWVGGRQHSA-N 0 0 303.362 3.073 20 10 DGCDRN CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1ccc(C)c(O)c1O ZINC000182824991 656108664 /nfs/dbraw/zinc/10/86/64/656108664.db2.gz LBYYUVCEAFQYKR-ZIAGYGMSSA-N 0 0 321.417 3.072 20 10 DGCDRN COc1cccc2c1OC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])C2 ZINC000185334500 656125681 /nfs/dbraw/zinc/12/56/81/656125681.db2.gz DRKXQJFMCSPDFW-RISCZKNCSA-N 0 0 317.360 3.194 20 10 DGCDRN CN(CCO[C@@H]1CCOC1)c1ccc(-c2nccs2)cc1 ZINC000930710071 656128791 /nfs/dbraw/zinc/12/87/91/656128791.db2.gz OFBYMBYQSRZWNY-OAHLLOKOSA-N 0 0 304.415 3.052 20 10 DGCDRN Cc1cc(NCc2cc(F)ccc2O)ccc1C(=O)N(C)C ZINC000194910808 656206394 /nfs/dbraw/zinc/20/63/94/656206394.db2.gz ZRNQXYBWDMVJDT-UHFFFAOYSA-N 0 0 302.349 3.154 20 10 DGCDRN COc1cccc(C)c1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000194991123 656207431 /nfs/dbraw/zinc/20/74/31/656207431.db2.gz LQUJVHRFQQJFNG-UHFFFAOYSA-N 0 0 313.401 3.391 20 10 DGCDRN COc1ccc(O)c([C@H]2Nc3ccc(Cl)cc3C(=O)N2C)c1 ZINC000124723387 656252585 /nfs/dbraw/zinc/25/25/85/656252585.db2.gz SXBANVHOZHWXBO-HNNXBMFYSA-N 0 0 318.760 3.251 20 10 DGCDRN CN1C(=O)/C(=C\c2csc(-c3ccccn3)n2)SC1=S ZINC000047046031 656992718 /nfs/dbraw/zinc/99/27/18/656992718.db2.gz AFEBGWAFGQEBAM-UXBLZVDNSA-N 0 0 319.436 3.036 20 10 DGCDRN Oc1c(Br)cccc1CNc1ccc2c(c1)OCO2 ZINC000048794970 657301290 /nfs/dbraw/zinc/30/12/90/657301290.db2.gz UKJPSTNKDKLNPP-UHFFFAOYSA-N 0 0 322.158 3.496 20 10 DGCDRN C[C@@H]1CCC[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000303034202 657509396 /nfs/dbraw/zinc/50/93/96/657509396.db2.gz YBRAJDXEDPCICB-PBHICJAKSA-N 0 0 315.461 3.447 20 10 DGCDRN CC[C@@H](COC)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000303759847 657559183 /nfs/dbraw/zinc/55/91/83/657559183.db2.gz OECFCIQKMTYTFM-HNNXBMFYSA-N 0 0 318.392 3.388 20 10 DGCDRN CC[C@H](COC)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000303759848 657559278 /nfs/dbraw/zinc/55/92/78/657559278.db2.gz OECFCIQKMTYTFM-OAHLLOKOSA-N 0 0 318.392 3.388 20 10 DGCDRN C[C@H](Sc1nccs1)C(=O)c1ccc2c(c1)CC(=O)N2C ZINC000163267531 657754133 /nfs/dbraw/zinc/75/41/33/657754133.db2.gz RKTKHMCXNXWRNE-VIFPVBQESA-N 0 0 318.423 3.026 20 10 DGCDRN C[C@H](Nc1cnn(CCO)c1)c1ccc(N2CCCCC2)cc1 ZINC000305832299 658068474 /nfs/dbraw/zinc/06/84/74/658068474.db2.gz OXBHQIAQWNENRS-HNNXBMFYSA-N 0 0 314.433 3.039 20 10 DGCDRN COc1ccc(O)c(CNc2ccc(Cn3cccn3)cc2)c1 ZINC000237363296 658374692 /nfs/dbraw/zinc/37/46/92/658374692.db2.gz HHCZYSOMQICQSR-UHFFFAOYSA-N 0 0 309.369 3.258 20 10 DGCDRN Cc1cc(C(=O)N[C@H]2CCOC2)c(C)n1-c1ccc(Cl)cc1 ZINC000179224286 658386770 /nfs/dbraw/zinc/38/67/70/658386770.db2.gz AQFRXHQGVGPAEX-AWEZNQCLSA-N 0 0 318.804 3.266 20 10 DGCDRN CC[C@H]1CN(C(=O)c2sccc2-n2c(C)ccc2C)CCO1 ZINC000054572179 658666681 /nfs/dbraw/zinc/66/66/81/658666681.db2.gz UZOIDAPTHVMCKY-AWEZNQCLSA-N 0 0 318.442 3.407 20 10 DGCDRN Cc1cccc2c(O)c(C(=O)N(C)Cc3ccccc3O)cnc12 ZINC000155631876 658835312 /nfs/dbraw/zinc/83/53/12/658835312.db2.gz CGTPKUNSDCCPPV-UHFFFAOYSA-N 0 0 322.364 3.227 20 10 DGCDRN O=c1[nH]c2ccc(NCc3ccc(N4CCCCC4)cc3)cc2[nH]1 ZINC000323796455 658886725 /nfs/dbraw/zinc/88/67/25/658886725.db2.gz ABGOKKCZBQGCGT-UHFFFAOYSA-N 0 0 322.412 3.459 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ccc(OCC2CC2)cc1 ZINC000055285910 658920591 /nfs/dbraw/zinc/92/05/91/658920591.db2.gz YVHGFFQRDXRVDQ-UHFFFAOYSA-N 0 0 311.381 3.453 20 10 DGCDRN COc1ccc(N(C[C@@H](O)COCC(C)C)C(C)C)cc1F ZINC000156773817 658942746 /nfs/dbraw/zinc/94/27/46/658942746.db2.gz DBEUROIMIYCOIQ-OAHLLOKOSA-N 0 0 313.413 3.083 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NC(C2CC2)C2CC2)cc1 ZINC000045613802 658989959 /nfs/dbraw/zinc/98/99/59/658989959.db2.gz KFHSYMKNRVFUMC-UHFFFAOYSA-N 0 0 301.434 3.083 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cc(F)cc3cccnc32)cc1 ZINC000157321492 659048173 /nfs/dbraw/zinc/04/81/73/659048173.db2.gz PRELLPGOPSCWKY-UHFFFAOYSA-N 0 0 323.371 3.370 20 10 DGCDRN CN(C)C(=O)c1cccc(NCc2cccc(Cl)c2O)c1 ZINC000158056776 659134997 /nfs/dbraw/zinc/13/49/97/659134997.db2.gz CHMULVWJEWYKGJ-UHFFFAOYSA-N 0 0 304.777 3.360 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C(C)(C)c2ccccc2)cc1F ZINC000060214242 659166055 /nfs/dbraw/zinc/16/60/55/659166055.db2.gz CSYBTWRBDHTZMJ-UHFFFAOYSA-N 0 0 314.404 3.486 20 10 DGCDRN CS[C@@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000172363677 659333147 /nfs/dbraw/zinc/33/31/47/659333147.db2.gz DUANBWYXXQUVQR-QGZVFWFLSA-N 0 0 314.454 3.473 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000230670693 659345426 /nfs/dbraw/zinc/34/54/26/659345426.db2.gz ZXSQYNSVLWIDLW-CABZTGNLSA-N 0 0 304.217 3.340 20 10 DGCDRN CCc1ccc(CC(=O)N[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000173131009 659374646 /nfs/dbraw/zinc/37/46/46/659374646.db2.gz KDFSGWPJLUFYGL-CYBMUJFWSA-N 0 0 313.397 3.383 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(Cl)nc1 ZINC000174515612 659437377 /nfs/dbraw/zinc/43/73/77/659437377.db2.gz YICYAPKJCYSHDR-UHFFFAOYSA-N 0 0 316.788 3.249 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H](C)c1nc[nH]n1 ZINC000174558229 659438932 /nfs/dbraw/zinc/43/89/32/659438932.db2.gz QMBBAYCZIFRRLT-CQSZACIVSA-N 0 0 323.400 3.012 20 10 DGCDRN Nc1ccc(CC(=O)Nc2ccccc2OC(F)(F)F)cc1 ZINC000238120142 659708625 /nfs/dbraw/zinc/70/86/25/659708625.db2.gz BMSISKBKMYBNBT-UHFFFAOYSA-N 0 0 310.275 3.349 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@H]2C[C@@]23CCc2ccccc23)cc1 ZINC000175012802 659915082 /nfs/dbraw/zinc/91/50/82/659915082.db2.gz GMOQLPMIKZEAHY-TZIWHRDSSA-N 0 0 320.436 3.273 20 10 DGCDRN Cc1ccc(C(=O)N2CCc3c(Cl)cccc3C2)c(O)c1O ZINC000179511640 659931261 /nfs/dbraw/zinc/93/12/61/659931261.db2.gz YDVPODUFWJJPDW-UHFFFAOYSA-N 0 0 317.772 3.258 20 10 DGCDRN Cc1ccc(CSCCNC(=O)Cc2ccc(N)cc2)cc1 ZINC000237758683 659939854 /nfs/dbraw/zinc/93/98/54/659939854.db2.gz SONWQAAANBSDGR-UHFFFAOYSA-N 0 0 314.454 3.169 20 10 DGCDRN Nc1ccc(CC(=O)N2CCN(CC3CC3)c3ccccc32)cc1 ZINC000238069279 659956678 /nfs/dbraw/zinc/95/66/78/659956678.db2.gz MLTCVHBXJUBYHY-UHFFFAOYSA-N 0 0 321.424 3.075 20 10 DGCDRN Cc1cc(Br)cc(CN2CCO[C@@H](C)[C@@H]2C)c1O ZINC000180256920 659957434 /nfs/dbraw/zinc/95/74/34/659957434.db2.gz NHSBITOGBUUBSP-QWRGUYRKSA-N 0 0 314.223 3.072 20 10 DGCDRN CCOc1cccc(CN(C)c2ccc3c(c2)OCO3)c1O ZINC000180759384 659969688 /nfs/dbraw/zinc/96/96/88/659969688.db2.gz SVBWILLEUWZDLB-UHFFFAOYSA-N 0 0 301.342 3.156 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC1(c2ccccc2F)CC1 ZINC000180796776 659970480 /nfs/dbraw/zinc/97/04/80/659970480.db2.gz SERGCCLQTRMLNX-SOFGYWHQSA-N 0 0 313.328 3.056 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCCc1cc2ccccc2o1 ZINC000180801679 659970735 /nfs/dbraw/zinc/97/07/35/659970735.db2.gz LNWYCDXFYWYJCY-SOFGYWHQSA-N 0 0 323.348 3.216 20 10 DGCDRN COc1ccc(N(C)C[C@@H](O)CCc2ccccc2)cc1F ZINC000182461767 660054518 /nfs/dbraw/zinc/05/45/18/660054518.db2.gz WHXNPLGOIUSUDM-INIZCTEOSA-N 0 0 303.377 3.264 20 10 DGCDRN Cc1ncsc1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000071213079 660108739 /nfs/dbraw/zinc/10/87/39/660108739.db2.gz GQIOUJRHDYKTOU-UHFFFAOYSA-N 0 0 313.220 3.209 20 10 DGCDRN Nc1ccc(CC(=O)Nc2nnc(C3CCCCC3)s2)cc1 ZINC000071700239 660140190 /nfs/dbraw/zinc/14/01/90/660140190.db2.gz SHIFCZKQIPQPNT-UHFFFAOYSA-N 0 0 316.430 3.349 20 10 DGCDRN Cc1cc(S(=O)(=O)Nc2ccc(O)cc2F)cc(C)c1F ZINC000184619504 660177374 /nfs/dbraw/zinc/17/73/74/660177374.db2.gz SCOOICHUHHYIBD-UHFFFAOYSA-N 0 0 313.325 3.088 20 10 DGCDRN Cc1cc(NC(=O)N2Cc3cccc(O)c3C2)ccc1N(C)C ZINC000929596229 661319965 /nfs/dbraw/zinc/31/99/65/661319965.db2.gz PUNGSBWVZVRJPD-UHFFFAOYSA-N 0 0 311.385 3.314 20 10 DGCDRN Cc1cc(N(C)C)ccc1NC(=O)N1Cc2cccc(O)c2C1 ZINC000929650289 661324566 /nfs/dbraw/zinc/32/45/66/661324566.db2.gz VVACYVTXISBDOK-UHFFFAOYSA-N 0 0 311.385 3.314 20 10 DGCDRN CCCCC1(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000930523758 661407304 /nfs/dbraw/zinc/40/73/04/661407304.db2.gz RBSIWVXOWYXBNZ-UHFFFAOYSA-N 0 0 316.445 3.110 20 10 DGCDRN Cc1c(NC(=O)N2Cc3cccc(O)c3C2)cccc1N(C)C ZINC000930722881 661424883 /nfs/dbraw/zinc/42/48/83/661424883.db2.gz HXKVHZCCQSPNJV-UHFFFAOYSA-N 0 0 311.385 3.314 20 10 DGCDRN C[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)c1cccc(O)c1 ZINC000931146636 661456624 /nfs/dbraw/zinc/45/66/24/661456624.db2.gz OIGCNBAUDNTOEQ-LBPRGKRZSA-N 0 0 316.376 3.017 20 10 DGCDRN CCCCN(CC)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000931279484 661463800 /nfs/dbraw/zinc/46/38/00/661463800.db2.gz DCTMCHISIWKYRE-NTMALXAHSA-N 0 0 306.362 3.407 20 10 DGCDRN O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(F)c(F)c1 ZINC000041374125 661833812 /nfs/dbraw/zinc/83/38/12/661833812.db2.gz VGZUXQUHZWAILA-UHFFFAOYSA-N 0 0 318.323 3.054 20 10 DGCDRN O=C(Nc1cccc(N2CCOCC2)c1)c1cccc(Cl)c1 ZINC000041374098 661833857 /nfs/dbraw/zinc/83/38/57/661833857.db2.gz PNCGZYFFKYVQDZ-UHFFFAOYSA-N 0 0 316.788 3.429 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Nc1nccs1 ZINC000042753594 661841990 /nfs/dbraw/zinc/84/19/90/661841990.db2.gz KHTWBLUSTNPUHL-UHFFFAOYSA-N 0 0 304.419 3.263 20 10 DGCDRN O=C(Nc1cccc(N2CCOCC2)c1)c1c(F)cccc1F ZINC000155209750 661843466 /nfs/dbraw/zinc/84/34/66/661843466.db2.gz QDQMPKFHSXSFRT-UHFFFAOYSA-N 0 0 318.323 3.054 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)c2ncon2)c(C)n1-c1cccc(C)c1 ZINC000155461904 661847086 /nfs/dbraw/zinc/84/70/86/661847086.db2.gz QAVZSGZIZHOKKK-ZDUSSCGKSA-N 0 0 324.384 3.277 20 10 DGCDRN C[C@@H]1CCC[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000047036095 661871085 /nfs/dbraw/zinc/87/10/85/661871085.db2.gz JCXYGTZWFHFQAT-GDBMZVCRSA-N 0 0 303.450 3.473 20 10 DGCDRN CCCCc1nnc(NC(=O)N(C)Cc2ccccc2O)s1 ZINC000047350721 661875845 /nfs/dbraw/zinc/87/58/45/661875845.db2.gz UDGAIGDISMXKPW-UHFFFAOYSA-N 0 0 320.418 3.250 20 10 DGCDRN CCC(C)(CC)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000158676873 661876412 /nfs/dbraw/zinc/87/64/12/661876412.db2.gz GXYIVOCUZGXFQB-UHFFFAOYSA-N 0 0 318.461 3.308 20 10 DGCDRN Cc1cc(O)c(CNc2nncn2Cc2ccccc2)cc1C ZINC000158953372 661880705 /nfs/dbraw/zinc/88/07/05/661880705.db2.gz YMUYWQNBAHAPJP-UHFFFAOYSA-N 0 0 308.385 3.261 20 10 DGCDRN Cc1cc(C(=O)OC[C@H]2CC[C@@H](C)O2)c(C)n1-c1ccccn1 ZINC000159273460 661884931 /nfs/dbraw/zinc/88/49/31/661884931.db2.gz KEKJNWBKQXLMDO-UKRRQHHQSA-N 0 0 314.385 3.213 20 10 DGCDRN CC[C@H]1CO[C@H](C)CN1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000048915882 661897434 /nfs/dbraw/zinc/89/74/34/661897434.db2.gz PHOSUMITCAMHFP-YGRLFVJLSA-N 0 0 311.809 3.248 20 10 DGCDRN CC(C)c1cccc2c1CCN(C(=O)c1cccc(O)c1O)C2 ZINC000188113359 661916201 /nfs/dbraw/zinc/91/62/01/661916201.db2.gz XRVFVGQPDKTWLY-UHFFFAOYSA-N 0 0 311.381 3.420 20 10 DGCDRN COC(=O)c1ccc(NCc2cc(C)c(C)cc2O)c(OC)c1 ZINC000188705942 661940694 /nfs/dbraw/zinc/94/06/94/661940694.db2.gz WHOBLFLTDWFSJS-UHFFFAOYSA-N 0 0 315.369 3.416 20 10 DGCDRN CC[C@H](C)CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000188921159 661953646 /nfs/dbraw/zinc/95/36/46/661953646.db2.gz HPSPYHSAWLVJCA-AWEZNQCLSA-N 0 0 306.475 3.292 20 10 DGCDRN CSCC[C@@H](C)N(C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000077603062 662033544 /nfs/dbraw/zinc/03/35/44/662033544.db2.gz GXFOZUINDPEBQS-CQSZACIVSA-N 0 0 323.506 3.344 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCCC2(C)C)cc1 ZINC000078363222 662061790 /nfs/dbraw/zinc/06/17/90/662061790.db2.gz AOOHWSVDNIYPOU-INIZCTEOSA-N 0 0 303.450 3.473 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCCC2(C)C)c1 ZINC000078366031 662061930 /nfs/dbraw/zinc/06/19/30/662061930.db2.gz CVQWCWZLKKNJSU-ABAIWWIYSA-N 0 0 306.406 3.340 20 10 DGCDRN COc1cccc(CNC(=O)Nc2ccc(F)c(C)c2)c1O ZINC000078522166 662073099 /nfs/dbraw/zinc/07/30/99/662073099.db2.gz JUDNIFMBMMHGPW-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Cc2csc(C)n2)cc1 ZINC000079389870 662108917 /nfs/dbraw/zinc/10/89/17/662108917.db2.gz QVWRGIGTIMQBGB-UHFFFAOYSA-N 0 0 317.458 3.157 20 10 DGCDRN CC(=O)c1cc(F)cc(C[N@@H+](C[C@H](C)O)C2CCCCC2)c1[O-] ZINC000079410985 662109900 /nfs/dbraw/zinc/10/99/00/662109900.db2.gz CKRJBLJFZIEDJY-LBPRGKRZSA-N 0 0 323.408 3.249 20 10 DGCDRN CCc1ccc(CN(C(=O)c2cccc(O)c2O)C2CC2)cc1 ZINC000192975716 662118769 /nfs/dbraw/zinc/11/87/69/662118769.db2.gz BGXLJQQCDWQURE-UHFFFAOYSA-N 0 0 311.381 3.465 20 10 DGCDRN Cc1ccc(C(C)(C)CN(C)C(=O)c2cccc(O)c2O)cc1 ZINC000193101413 662122643 /nfs/dbraw/zinc/12/26/43/662122643.db2.gz VMRVNYOJBBSIML-UHFFFAOYSA-N 0 0 313.397 3.456 20 10 DGCDRN CN(C)c1ccc(CN2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000194158368 662158569 /nfs/dbraw/zinc/15/85/69/662158569.db2.gz SQUCAZKLTAWNBG-LJQANCHMSA-N 0 0 314.404 3.465 20 10 DGCDRN Cc1ccc(O)c([C@H](C)NCc2n[nH]cc2Br)c1 ZINC000718126929 662230056 /nfs/dbraw/zinc/23/00/56/662230056.db2.gz RLDNYHCJRJBJME-VIFPVBQESA-N 0 0 310.195 3.037 20 10 DGCDRN C[C@H](NCc1n[nH]cc1Br)c1ccc(N(C)C)cc1 ZINC000718141168 662232034 /nfs/dbraw/zinc/23/20/34/662232034.db2.gz KVNBSPSLJBSXNR-JTQLQIEISA-N 0 0 323.238 3.089 20 10 DGCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCN1C ZINC000090721730 662272960 /nfs/dbraw/zinc/27/29/60/662272960.db2.gz XBZUWVIBGDOXFQ-SKDRFNHKSA-N 0 0 303.233 3.271 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(F)ccc1O ZINC000092602160 662332965 /nfs/dbraw/zinc/33/29/65/662332965.db2.gz LXUJURIEZLHURY-UHFFFAOYSA-N 0 0 303.333 3.289 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000093280538 662350951 /nfs/dbraw/zinc/35/09/51/662350951.db2.gz HUJUEMZEJHQTHC-UHFFFAOYSA-N 0 0 302.378 3.008 20 10 DGCDRN CCc1ccc([C@H]2COCCN2Cc2cc(C)ccc2O)o1 ZINC000093459460 662355507 /nfs/dbraw/zinc/35/55/07/662355507.db2.gz NFYRDJADDRHGOJ-MRXNPFEDSA-N 0 0 301.386 3.430 20 10 DGCDRN c1cc(N2CCCCC2)ccc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000093645258 662358198 /nfs/dbraw/zinc/35/81/98/662358198.db2.gz JWBGAPRFTYGPAT-IBGZPJMESA-N 0 0 300.446 3.288 20 10 DGCDRN CC(C)c1cc(NCc2cccc(Cl)c2O)n2ncnc2n1 ZINC000897392315 685311618 /nfs/dbraw/zinc/31/16/18/685311618.db2.gz WTYOYCRDEHHZSH-UHFFFAOYSA-N 0 0 317.780 3.219 20 10 DGCDRN O=S(=O)(c1ccc(CSc2nccs2)cc1)C(F)F ZINC000133230319 685068309 /nfs/dbraw/zinc/06/83/09/685068309.db2.gz TXRSRFKRTXHUOT-UHFFFAOYSA-N 0 0 321.395 3.432 20 10 DGCDRN CCC[C@H](C)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000140937357 685078609 /nfs/dbraw/zinc/07/86/09/685078609.db2.gz OVCSTCYMUPMGNK-GJZGRUSLSA-N 0 0 319.449 3.072 20 10 DGCDRN C[C@H](NC(=O)c1cccs1)c1ccc(N2CCOCC2)cc1 ZINC000145452197 685086544 /nfs/dbraw/zinc/08/65/44/685086544.db2.gz VBAWHENDXLOGLM-ZDUSSCGKSA-N 0 0 316.426 3.076 20 10 DGCDRN CN(CCCOCc1ccccc1)C(=O)Nc1ccc(N)cc1 ZINC000384093984 685169368 /nfs/dbraw/zinc/16/93/68/685169368.db2.gz NNSIPEOMJPZZTK-UHFFFAOYSA-N 0 0 313.401 3.339 20 10 DGCDRN CO[C@H]([C@@H](C)[NH2+]Cc1cccc(Br)c1[O-])C1CC1 ZINC000388204394 685188056 /nfs/dbraw/zinc/18/80/56/685188056.db2.gz CPNVWVHNSULXRF-YMTOWFKASA-N 0 0 314.223 3.058 20 10 DGCDRN C[C@H]1C[C@H](C[NH2+]Cc2cccc(Br)c2[O-])CCO1 ZINC000388683373 685190692 /nfs/dbraw/zinc/19/06/92/685190692.db2.gz ISFRGNWGMVMELF-WDEREUQCSA-N 0 0 314.223 3.059 20 10 DGCDRN CCOc1ccccc1NC[C@@H](O)COCc1ccccc1 ZINC000390816648 685205879 /nfs/dbraw/zinc/20/58/79/685205879.db2.gz MGVNGEKVHNRVKF-MRXNPFEDSA-N 0 0 301.386 3.075 20 10 DGCDRN CN(C(=O)c1cnc(-c2ccccc2)nc1)c1ccc(N)cc1 ZINC001578392494 1191941053 /nfs/dbraw/zinc/94/10/53/1191941053.db2.gz BUDOJGXZUNLARH-UHFFFAOYSA-N 0 0 304.353 3.002 20 10 DGCDRN COc1ccc(OC(C)(C)C(=O)Oc2ccc(N)cc2)cc1 ZINC001579230822 1191969858 /nfs/dbraw/zinc/96/98/58/1191969858.db2.gz BULNRUISSMSZSX-UHFFFAOYSA-N 0 0 301.342 3.040 20 10 DGCDRN COc1cccc(CNC(=O)c2cc3ccccc3cc2N)c1O ZINC001579277586 1191971696 /nfs/dbraw/zinc/97/16/96/1191971696.db2.gz GWRJARDRQIZSSK-UHFFFAOYSA-N 0 0 322.364 3.066 20 10 DGCDRN Cc1ccc(F)c(CN(C)C(=O)NCc2ccc(N)cc2)c1 ZINC001579705992 1191988249 /nfs/dbraw/zinc/98/82/49/1191988249.db2.gz JYCSXMXXJGZJAL-UHFFFAOYSA-N 0 0 301.365 3.058 20 10 DGCDRN CCCCC[C@H](O)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC001583569831 1192150894 /nfs/dbraw/zinc/15/08/94/1192150894.db2.gz VORXYSBHKRSYKW-KRWDZBQOSA-N 0 0 306.450 3.042 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1cccc2c1CCOC2 ZINC001583820592 1192162040 /nfs/dbraw/zinc/16/20/40/1192162040.db2.gz IPWNZWXZHZCYNY-UHFFFAOYSA-N 0 0 317.772 3.048 20 10 DGCDRN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001583966286 1192170032 /nfs/dbraw/zinc/17/00/32/1192170032.db2.gz JMOVFQFVOWTXSX-BMFZPTHFSA-N 0 0 319.445 3.465 20 10 DGCDRN Cc1cc(C(=O)NC/C=C\CO)c(C)n1-c1cccc(Cl)c1 ZINC001584108130 1192178387 /nfs/dbraw/zinc/17/83/87/1192178387.db2.gz OYUORFVRCJNWHD-ARJAWSKDSA-N 0 0 318.804 3.026 20 10 DGCDRN C[C@H](NC(=O)c1cc2ncccc2o1)c1ccc(N(C)C)cc1 ZINC001585422839 1192260585 /nfs/dbraw/zinc/26/05/85/1192260585.db2.gz DJZYLJZYFNEFHD-LBPRGKRZSA-N 0 0 309.369 3.385 20 10 DGCDRN CC(C)C[C@H]1CCCCCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001586491688 1192333326 /nfs/dbraw/zinc/33/33/26/1192333326.db2.gz ZXYWDZBDMTUXFB-OAHLLOKOSA-N 0 0 305.418 3.458 20 10 DGCDRN CCCCNC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC001586994740 1192362028 /nfs/dbraw/zinc/36/20/28/1192362028.db2.gz MUQSSQQGIHAAGK-UHFFFAOYSA-N 0 0 312.413 3.365 20 10 DGCDRN C[C@@H](NC(=O)/C=C/c1cnc2ccccc2n1)c1ccccc1O ZINC001587444911 1192399929 /nfs/dbraw/zinc/39/99/29/1192399929.db2.gz RFEGYXNUVDGGQE-OCHBPSSRSA-N 0 0 319.364 3.226 20 10 DGCDRN C[C@H](NC(=O)c1ncc2ccccc2c1O)c1ccccc1O ZINC001587451137 1192400858 /nfs/dbraw/zinc/40/08/58/1192400858.db2.gz IXOWPQMACWIBBI-NSHDSACASA-N 0 0 308.337 3.137 20 10 DGCDRN O=C(Cc1ccc2cnccc2c1)N1Cc2cccc(O)c2C1 ZINC001587928738 1192425674 /nfs/dbraw/zinc/42/56/74/1192425674.db2.gz SBJHVBYAZBISEA-UHFFFAOYSA-N 0 0 304.349 3.025 20 10 DGCDRN Cc1cc2cc(C(=O)NCc3cc(O)ccc3O)oc2cc1C ZINC001593873409 1192640962 /nfs/dbraw/zinc/64/09/62/1192640962.db2.gz OIZCCBUKDRUKGC-UHFFFAOYSA-N 0 0 311.337 3.391 20 10 DGCDRN CCn1cc(C(=O)NCc2ccccc2O)c(-c2ccccc2)n1 ZINC001595799589 1192670916 /nfs/dbraw/zinc/67/09/16/1192670916.db2.gz AFHLZLRAEKNTCK-UHFFFAOYSA-N 0 0 321.380 3.206 20 10 DGCDRN Cc1ccc(Cl)c2c1N(C(=O)/C=C/c1cn(C)cn1)CCC2 ZINC001596590687 1192697896 /nfs/dbraw/zinc/69/78/96/1192697896.db2.gz VTIHAXWQVBAMKI-SOFGYWHQSA-N 0 0 315.804 3.375 20 10 DGCDRN CC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC001597226474 1192724139 /nfs/dbraw/zinc/72/41/39/1192724139.db2.gz RFOJAHRAWIDMNR-CQSZACIVSA-N 0 0 303.333 3.047 20 10 DGCDRN CCc1cc(C(=O)NCc2c(O)ccc3ccccc32)c(C)nn1 ZINC001597743102 1192745104 /nfs/dbraw/zinc/74/51/04/1192745104.db2.gz WZLJMEYERAESGZ-UHFFFAOYSA-N 0 0 321.380 3.136 20 10 DGCDRN COc1cccc(C(=O)NCc2ccc3c(c2)CCCN3C)c1C ZINC001597856277 1192751653 /nfs/dbraw/zinc/75/16/53/1192751653.db2.gz ULAZFVNLOLQGBD-UHFFFAOYSA-N 0 0 324.424 3.316 20 10 DGCDRN COc1nccc2c(NC(=O)NCc3ccccc3O)cccc21 ZINC001670805770 1177035285 /nfs/dbraw/zinc/03/52/85/1177035285.db2.gz OJAQUNVCYBJSKS-UHFFFAOYSA-N 0 0 323.352 3.271 20 10 DGCDRN COc1ccnc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])c1F ZINC001621010478 1192782958 /nfs/dbraw/zinc/78/29/58/1192782958.db2.gz PYXPYASYTLMWEU-UHFFFAOYSA-N 0 0 314.719 3.017 20 10 DGCDRN Cc1cc(Cl)cc(C[NH2+][C@H](C(=O)[O-])c2ccccc2F)c1O ZINC001600218889 1192812113 /nfs/dbraw/zinc/81/21/13/1192812113.db2.gz DZGICPIRHGIUNS-AWEZNQCLSA-N 0 0 323.751 3.409 20 10 DGCDRN Cc1cc(O)c(C[NH2+][C@@H](C(=O)[O-])c2ccccc2F)cc1C ZINC001600285888 1192827442 /nfs/dbraw/zinc/82/74/42/1192827442.db2.gz HYXZGYFVMRCMAF-MRXNPFEDSA-N 0 0 303.333 3.064 20 10 DGCDRN Cc1cc(O)c(C[NH2+][C@@H](C(=O)[O-])c2ccc(F)c(C)c2)cc1C ZINC001600286587 1192827631 /nfs/dbraw/zinc/82/76/31/1192827631.db2.gz QWKRMHHWOHCBJS-QGZVFWFLSA-N 0 0 317.360 3.372 20 10 DGCDRN CC(=O)c1cccc(NC(=O)C=Cc2ccc(O)c(O)c2)c1C ZINC001179687790 1177804175 /nfs/dbraw/zinc/80/41/75/1177804175.db2.gz ZGLSKDCKZSWEOK-VQHVLOKHSA-N 0 0 311.337 3.261 20 10 DGCDRN C[C@H]1C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)c2ccccc21 ZINC001179689573 1177805237 /nfs/dbraw/zinc/80/52/37/1177805237.db2.gz SLMMFGWYYPVLML-MHGNPFJOSA-N 0 0 309.365 3.476 20 10 DGCDRN Cc1ccc(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)c(Cl)n1 ZINC001600419182 1192849768 /nfs/dbraw/zinc/84/97/68/1192849768.db2.gz LODOIYPHZMIKJZ-SNVBAGLBSA-N 0 0 320.776 3.298 20 10 DGCDRN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)NCc1c(O)ccc2ccccc21 ZINC001157050340 1178040536 /nfs/dbraw/zinc/04/05/36/1178040536.db2.gz DZOMRVWLSMDLNI-SJBDTSRBSA-N 0 0 313.397 3.221 20 10 DGCDRN Cc1cc(CNC(=O)Nc2ccncn2)c(C)n1-c1ccccc1 ZINC001671147132 1178048974 /nfs/dbraw/zinc/04/89/74/1178048974.db2.gz WVRIKKNRTKOWBN-UHFFFAOYSA-N 0 0 321.384 3.206 20 10 DGCDRN Cc1ccc(O)c(C[N@@H+]2CCc3c(F)ccc(C(=O)[O-])c3C2)c1 ZINC001600464461 1192857902 /nfs/dbraw/zinc/85/79/02/1192857902.db2.gz CCTPCCMBRXXGTB-UHFFFAOYSA-N 0 0 315.344 3.096 20 10 DGCDRN Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(Cl)c(C(=O)[O-])n2)c1 ZINC001600465014 1192857949 /nfs/dbraw/zinc/85/79/49/1192857949.db2.gz NIBCWRAZCZRAMP-JTQLQIEISA-N 0 0 320.776 3.298 20 10 DGCDRN Cc1ccc(O)c(C[N@H+](CC(=O)[O-])Cc2ccc(Cl)cc2)c1 ZINC001600465256 1192858138 /nfs/dbraw/zinc/85/81/38/1192858138.db2.gz VNWOJAVUMFIEST-UHFFFAOYSA-N 0 0 319.788 3.441 20 10 DGCDRN Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(Cl)c(C(=O)[O-])n2)c1 ZINC001600465015 1192858175 /nfs/dbraw/zinc/85/81/75/1192858175.db2.gz NIBCWRAZCZRAMP-SNVBAGLBSA-N 0 0 320.776 3.298 20 10 DGCDRN COC(=O)[C@](C)(NCc1ccc(OC)c(C)c1)c1ccccc1 ZINC001331743164 1178277331 /nfs/dbraw/zinc/27/73/31/1178277331.db2.gz KPVCCORIZOBSOJ-LJQANCHMSA-N 0 0 313.397 3.182 20 10 DGCDRN CCOC(=O)c1c(C)onc1CN(C)c1ccc(OCC)cc1 ZINC001331775984 1178281225 /nfs/dbraw/zinc/28/12/25/1178281225.db2.gz SVHIKICWQBIYLW-UHFFFAOYSA-N 0 0 318.373 3.195 20 10 DGCDRN C[C@H](NC(=O)c1ccc(OCC2CC2)nc1)c1ccccc1O ZINC001331872204 1178295490 /nfs/dbraw/zinc/29/54/90/1178295490.db2.gz HEFFZZHNCYQPJB-LBPRGKRZSA-N 0 0 312.369 3.067 20 10 DGCDRN CCOCCC1(CNC(=O)N[C@@H](C)c2ccccc2O)CCC1 ZINC001332138924 1178367996 /nfs/dbraw/zinc/36/79/96/1178367996.db2.gz YPCBJSONOPOWMU-AWEZNQCLSA-N 0 0 320.433 3.349 20 10 DGCDRN COc1ccccc1C1(C(=O)N2Cc3cccc(O)c3C2)CCC1 ZINC001332204696 1178392213 /nfs/dbraw/zinc/39/22/13/1178392213.db2.gz XKEGDLFBHNXUMJ-UHFFFAOYSA-N 0 0 323.392 3.365 20 10 DGCDRN O=C(N[C@@H](Cc1ccccc1)C1CC1)N1Cc2cccc(O)c2C1 ZINC001332950547 1178528211 /nfs/dbraw/zinc/52/82/11/1178528211.db2.gz DKHDPZMYSDSPIK-SFHVURJKSA-N 0 0 322.408 3.439 20 10 DGCDRN C[C@H]1CCc2nc(CN3Cc4cccc(O)c4C3)sc2C1 ZINC001333368905 1178596063 /nfs/dbraw/zinc/59/60/63/1178596063.db2.gz OFUYRRQGAMFSHW-NSHDSACASA-N 0 0 300.427 3.489 20 10 DGCDRN CSCC1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001333539355 1178623539 /nfs/dbraw/zinc/62/35/39/1178623539.db2.gz NGOANGOVFOSWSW-UHFFFAOYSA-N 0 0 320.418 3.064 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC2CCC(=O)CC2)cc1 ZINC001334293005 1178745672 /nfs/dbraw/zinc/74/56/72/1178745672.db2.gz SOJYWDDZTUOIGO-UHFFFAOYSA-N 0 0 310.397 3.336 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H]2CCOC2)c1 ZINC001335452626 1178912889 /nfs/dbraw/zinc/91/28/89/1178912889.db2.gz XVNLACQRZONIHW-CYBMUJFWSA-N 0 0 318.804 3.266 20 10 DGCDRN C[C@@H](CNC(=O)NCc1ccc(N)cc1)Cc1cccs1 ZINC001335515988 1178924903 /nfs/dbraw/zinc/92/49/03/1178924903.db2.gz YXQMXYXBXJQYID-GFCCVEGCSA-N 0 0 303.431 3.008 20 10 DGCDRN Cc1ccc2c(c1)[C@@H](NC(=O)NCc1ccc(N)cc1)CCC2 ZINC001335664827 1178941727 /nfs/dbraw/zinc/94/17/27/1178941727.db2.gz GGJNUJNRSYWZDA-SFHVURJKSA-N 0 0 309.413 3.454 20 10 DGCDRN CC(C)(C)C[C@@H](NC(=O)NCc1ccc(N)cc1)C(F)(F)F ZINC001335737190 1178947163 /nfs/dbraw/zinc/94/71/63/1178947163.db2.gz LVTJMKAVLAEAJL-GFCCVEGCSA-N 0 0 317.355 3.435 20 10 DGCDRN CO[C@H]1CCC[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001335890320 1178967376 /nfs/dbraw/zinc/96/73/76/1178967376.db2.gz XANLVTMOMXTNGZ-MSOLQXFVSA-N 0 0 316.445 3.108 20 10 DGCDRN Nc1ccc(CNC(=O)NCC2(Cc3ccccc3)CCC2)cc1 ZINC001336064808 1178989234 /nfs/dbraw/zinc/98/92/34/1178989234.db2.gz FHXPJKADRLCTMJ-UHFFFAOYSA-N 0 0 323.440 3.481 20 10 DGCDRN Nc1ccc(CNC(=O)N[C@@H]2CCCc3c(F)cccc32)cc1 ZINC001336100468 1178993032 /nfs/dbraw/zinc/99/30/32/1178993032.db2.gz OJLKERBBIZYOHJ-QGZVFWFLSA-N 0 0 313.376 3.285 20 10 DGCDRN CCCC[C@@H](COC)NC(=O)NCc1cccc(Cl)c1O ZINC001343099605 1179233674 /nfs/dbraw/zinc/23/36/74/1179233674.db2.gz REGLPZSSOAUNQE-LBPRGKRZSA-N 0 0 314.813 3.050 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)[C@]34C[C@H]3CCC4)C2)cc1 ZINC001343752694 1179327484 /nfs/dbraw/zinc/32/74/84/1179327484.db2.gz BTWUBZQHTZLXFJ-QMTMVMCOSA-N 0 0 315.413 3.255 20 10 DGCDRN CCN(C)c1ccc(CN[C@H](C)c2nnc3ccccn32)cc1 ZINC001343897964 1179346796 /nfs/dbraw/zinc/34/67/96/1179346796.db2.gz IAMAFMJIKXGMSQ-CQSZACIVSA-N 0 0 309.417 3.036 20 10 DGCDRN O=C([O-])C[N@@H+](CCCCCF)Cc1cc(Cl)ccc1O ZINC001602055713 1192957415 /nfs/dbraw/zinc/95/74/15/1192957415.db2.gz UFYGXTPIIXAGCB-UHFFFAOYSA-N 0 0 303.761 3.072 20 10 DGCDRN Cn1c2ccc(OC(=O)[C@]3(F)CCOC3)cc2c2c1CCCC2 ZINC001344837625 1179483623 /nfs/dbraw/zinc/48/36/23/1179483623.db2.gz TZSZSRZHGQQZRK-SFHVURJKSA-N 0 0 317.360 3.091 20 10 DGCDRN CC[C@@H](C)n1nccc1C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC001346695964 1179735788 /nfs/dbraw/zinc/73/57/88/1179735788.db2.gz OSZZJZJSKPYJQJ-NEPJUHHUSA-N 0 0 317.389 3.059 20 10 DGCDRN CC[C@H]1C[C@H](CC(=O)Nc2c3nonc3ccc2Cl)CCO1 ZINC001346941741 1179763315 /nfs/dbraw/zinc/76/33/15/1179763315.db2.gz YAWVNLYWUKKEQD-ZJUUUORDSA-N 0 0 323.780 3.410 20 10 DGCDRN CC(C)(C(=O)NCc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC001347335999 1179797577 /nfs/dbraw/zinc/79/75/77/1179797577.db2.gz QAIINENLKPKYFQ-UHFFFAOYSA-N 0 0 314.351 3.492 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCC[C@H](F)C1 ZINC001348976926 1179860926 /nfs/dbraw/zinc/86/09/26/1179860926.db2.gz CICAMTFGIITISI-KGLIPLIRSA-N 0 0 305.393 3.416 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@]1(C)CCCCO1 ZINC001349119091 1179875187 /nfs/dbraw/zinc/87/51/87/1179875187.db2.gz QSQRYQHQPZZNBF-IBGZPJMESA-N 0 0 316.445 3.204 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CSC(F)F ZINC001349117044 1179875289 /nfs/dbraw/zinc/87/52/89/1179875289.db2.gz HIVMTHWHAUWAMU-UHFFFAOYSA-N 0 0 314.401 3.201 20 10 DGCDRN C[C@@H](OC1CCCCC1)C(=O)NCc1cc(Cl)ccc1O ZINC001349649257 1179927226 /nfs/dbraw/zinc/92/72/26/1179927226.db2.gz CADJQOQXJQRKCS-LLVKDONJSA-N 0 0 311.809 3.400 20 10 DGCDRN CCc1nccc(N2CC=C(c3c[nH]c4ncccc34)CC2)n1 ZINC001349961038 1179986654 /nfs/dbraw/zinc/98/66/54/1179986654.db2.gz OHAYGCQCIHDQLH-UHFFFAOYSA-N 0 0 305.385 3.209 20 10 DGCDRN CN(C)c1ccc(NCc2cc(F)c(N(C)C)cc2F)nc1 ZINC001351506165 1180218409 /nfs/dbraw/zinc/21/84/09/1180218409.db2.gz BFMXOBVREPTGFC-UHFFFAOYSA-N 0 0 306.360 3.104 20 10 DGCDRN Cc1cc(CC(=O)Nc2nccc(C)n2)c(C)n1-c1ccccc1 ZINC001351588424 1180226911 /nfs/dbraw/zinc/22/69/11/1180226911.db2.gz MRLYRGVRQGLYQS-UHFFFAOYSA-N 0 0 320.396 3.374 20 10 DGCDRN CN(Cc1ccc(C(=O)N2CCCC2)cc1)c1ccc(N)cc1 ZINC001351678699 1180236667 /nfs/dbraw/zinc/23/66/67/1180236667.db2.gz DYJRFABZLPYZNO-UHFFFAOYSA-N 0 0 309.413 3.141 20 10 DGCDRN CCc1cc(C(=O)NCc2c(O)cccc2F)cc(Cl)n1 ZINC001646033771 1195211115 /nfs/dbraw/zinc/21/11/15/1195211115.db2.gz FAYHQDUTBAFOPS-UHFFFAOYSA-N 0 0 308.740 3.072 20 10 DGCDRN COCn1ncc(C)c1CN(C)c1ccc(OC(C)C)cc1 ZINC001352022833 1180281318 /nfs/dbraw/zinc/28/13/18/1180281318.db2.gz RIOKFJIZDVVYGE-UHFFFAOYSA-N 0 0 303.406 3.219 20 10 DGCDRN CCS[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N)cc1 ZINC001353492864 1180570036 /nfs/dbraw/zinc/57/00/36/1180570036.db2.gz ONPHGNQJDDUFPI-GJZGRUSLSA-N 0 0 307.463 3.132 20 10 DGCDRN CC(C)[C@H]1N(C(=O)NCc2ccc(N)cc2)CC12CCCC2 ZINC001353538736 1180583740 /nfs/dbraw/zinc/58/37/40/1180583740.db2.gz ABJMKPLLDRQZQZ-MRXNPFEDSA-N 0 0 301.434 3.379 20 10 DGCDRN CC(C)c1nnsc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001353646304 1180615593 /nfs/dbraw/zinc/61/55/93/1180615593.db2.gz ZTEPNDSFUPVOMT-NSHDSACASA-N 0 0 318.446 3.219 20 10 DGCDRN CCCCNC(=S)NCc1ccc(N2CCCCC2)cc1 ZINC001200461603 1180661653 /nfs/dbraw/zinc/66/16/53/1180661653.db2.gz WTTVKKQWRBQMSH-UHFFFAOYSA-N 0 0 305.491 3.441 20 10 DGCDRN FC1(F)CN(C(=S)NCc2ccco2)Cc2ccccc21 ZINC001200550984 1180713813 /nfs/dbraw/zinc/71/38/13/1180713813.db2.gz MDESLTDVVYABDV-UHFFFAOYSA-N 0 0 308.353 3.262 20 10 DGCDRN CNC(=S)Nc1ccccc1C(=O)c1ccc(Cl)cc1 ZINC001200610204 1180756693 /nfs/dbraw/zinc/75/66/93/1180756693.db2.gz KXEKAYHSTBEYAY-UHFFFAOYSA-N 0 0 304.802 3.487 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H]2CC[C@H]2O)c1 ZINC001355126477 1180993276 /nfs/dbraw/zinc/99/32/76/1180993276.db2.gz HDJJXCUAUAAYSA-HZPDHXFCSA-N 0 0 318.804 3.001 20 10 DGCDRN C[C@H]([NH2+]CCc1ccc(F)cc1)c1cc(C(=O)[O-])ccc1O ZINC001604342604 1193067376 /nfs/dbraw/zinc/06/73/76/1193067376.db2.gz ZASHKZLXFINSRG-NSHDSACASA-N 0 0 303.333 3.123 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1CCOCC12CCCC2)c1ccccc1O ZINC001355853584 1181104587 /nfs/dbraw/zinc/10/45/87/1181104587.db2.gz RZIIDTOCTCSMNU-CZUORRHYSA-N 0 0 318.417 3.102 20 10 DGCDRN CC(C)CO[C@@H](C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001356266057 1181166599 /nfs/dbraw/zinc/16/65/99/1181166599.db2.gz IMXCPKWVHJQOTG-INIZCTEOSA-N 0 0 318.461 3.306 20 10 DGCDRN CCc1cc(C(=O)NCc2ccc(N(CC)CC)cc2)no1 ZINC001357724018 1181422702 /nfs/dbraw/zinc/42/27/02/1181422702.db2.gz DPYWPCBYPKHCSM-UHFFFAOYSA-N 0 0 301.390 3.013 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C2(OC(C)C)CCC2)cc1 ZINC001357723994 1181423013 /nfs/dbraw/zinc/42/30/13/1181423013.db2.gz CUFLDTAZSQJHJZ-UHFFFAOYSA-N 0 0 318.461 3.497 20 10 DGCDRN Nc1ccc(CNC(=O)N2CC[C@H](C3CCCCC3)C2)cc1 ZINC001357792483 1181428270 /nfs/dbraw/zinc/42/82/70/1181428270.db2.gz ZAMJUDGEWLWUNB-INIZCTEOSA-N 0 0 301.434 3.381 20 10 DGCDRN CN(C)c1ccc(/C=C\C[N@@H+]2CCO[C@](C)(C3CC3)C2)cc1 ZINC001474626059 1181595326 /nfs/dbraw/zinc/59/53/26/1181595326.db2.gz RYFCNWOIRKCHEI-HMECNJMJSA-N 0 0 300.446 3.267 20 10 DGCDRN C/C(=C\C(=O)N(CC(F)F)c1ccccc1)c1cnccn1 ZINC001435396158 1181811459 /nfs/dbraw/zinc/81/14/59/1181811459.db2.gz QAOAFNOFHCITNU-FMIVXFBMSA-N 0 0 303.312 3.178 20 10 DGCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CC=CCC2)CCCC1 ZINC001435691212 1181835324 /nfs/dbraw/zinc/83/53/24/1181835324.db2.gz MZZJOBKUDSVJHP-UHFFFAOYSA-N 0 0 324.424 3.317 20 10 DGCDRN Cc1ncsc1/C=C\C(=O)N1CCOc2c(F)c(F)ccc21 ZINC001436824863 1181911163 /nfs/dbraw/zinc/91/11/63/1181911163.db2.gz OFNXHICPMJHIAK-PLNGDYQASA-N 0 0 322.336 3.169 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)C(F)=C2CCCC2)cc1 ZINC001437380581 1181932334 /nfs/dbraw/zinc/93/23/34/1181932334.db2.gz MPKBZYFVKDRQQW-UHFFFAOYSA-N 0 0 320.408 3.387 20 10 DGCDRN O=C(/C=C\c1cncc(F)c1)N1CC2(CC2)Oc2ccccc21 ZINC001439955805 1182021775 /nfs/dbraw/zinc/02/17/75/1182021775.db2.gz DODHXJHOIPBLHZ-WAYWQWQTSA-N 0 0 310.328 3.192 20 10 DGCDRN Cc1nc2ccc(O)cc2cc1C(=O)N(C)Cc1ccccc1O ZINC001445644043 1182152738 /nfs/dbraw/zinc/15/27/38/1182152738.db2.gz FOKLJLQDHAJHLO-UHFFFAOYSA-N 0 0 322.364 3.227 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(F)c1F ZINC001447561005 1182192529 /nfs/dbraw/zinc/19/25/29/1182192529.db2.gz HGEZFKZATUFHPX-JTQLQIEISA-N 0 0 321.323 3.045 20 10 DGCDRN CC(C)N(C)c1ccccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001448186941 1182203614 /nfs/dbraw/zinc/20/36/14/1182203614.db2.gz OAQWVMJABLPAAB-UHFFFAOYSA-N 0 0 314.385 3.124 20 10 DGCDRN CC[C@@H]1CCCC[C@@H]1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001450416451 1182248859 /nfs/dbraw/zinc/24/88/59/1182248859.db2.gz ULCMPXCTXFXOEE-XIQZNWFMSA-N 0 0 303.402 3.444 20 10 DGCDRN CCC[C@H]1CCCC[C@H]1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001451454816 1182269820 /nfs/dbraw/zinc/26/98/20/1182269820.db2.gz GWIDSQFTTLDBKW-GJZGRUSLSA-N 0 0 305.418 3.363 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)c1nccc2occc21 ZINC001451960841 1182277952 /nfs/dbraw/zinc/27/79/52/1182277952.db2.gz PPQNWHGQCKHIRP-UHFFFAOYSA-N 0 0 319.320 3.012 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)[C@H](F)c1ccccc1 ZINC001451946561 1182277971 /nfs/dbraw/zinc/27/79/71/1182277971.db2.gz DCMZUMFWWHYRPE-OAHLLOKOSA-N 0 0 310.328 3.267 20 10 DGCDRN COc1cccc(C(=O)NCc2ccc3cccnc3c2O)c1C ZINC001451962865 1182277989 /nfs/dbraw/zinc/27/79/89/1182277989.db2.gz UNOGXTJMCRPEHB-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN Nc1c(Cl)cccc1C(=O)NCc1cc(Cl)ccc1O ZINC001452936571 1182305412 /nfs/dbraw/zinc/30/54/12/1182305412.db2.gz PVEKRLJAGVDKIY-UHFFFAOYSA-N 0 0 311.168 3.211 20 10 DGCDRN C[C@@H](NC(=O)CNc1cccc(Cl)c1)c1ccccc1O ZINC001454805522 1182353702 /nfs/dbraw/zinc/35/37/02/1182353702.db2.gz KFSNELRUECQYKZ-LLVKDONJSA-N 0 0 304.777 3.335 20 10 DGCDRN Cc1ccc(C(=O)N2CC([C@H]3CCC[C@H](C)C3)C2)c(O)c1O ZINC001455012251 1182357441 /nfs/dbraw/zinc/35/74/41/1182357441.db2.gz YONIHULFEWGVLE-AAEUAGOBSA-N 0 0 303.402 3.305 20 10 DGCDRN O=C(c1ncccc1-c1ccccn1)N1Cc2cccc(O)c2C1 ZINC001455036669 1182359058 /nfs/dbraw/zinc/35/90/58/1182359058.db2.gz IGHVNSVBWOUMBD-UHFFFAOYSA-N 0 0 317.348 3.005 20 10 DGCDRN O=C(c1csc(Br)c1)N1Cc2cccc(O)c2C1 ZINC001455037329 1182359195 /nfs/dbraw/zinc/35/91/95/1182359195.db2.gz PKMAMLUOQDNRNY-UHFFFAOYSA-N 0 0 324.199 3.372 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC001455356169 1182367227 /nfs/dbraw/zinc/36/72/27/1182367227.db2.gz XKQVVJVZCNOCQS-JKSUJKDBSA-N 0 0 315.344 3.047 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1nc(Cl)sc1Cl ZINC001456029429 1182393534 /nfs/dbraw/zinc/39/35/34/1182393534.db2.gz NKKZFCFQTZKVEW-UHFFFAOYSA-N 0 0 321.160 3.225 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cccc(C(F)(F)F)c1 ZINC001456090545 1182396928 /nfs/dbraw/zinc/39/69/28/1182396928.db2.gz LXMCXHLDGQFCQO-UHFFFAOYSA-N 0 0 313.250 3.480 20 10 DGCDRN CC1(C)CO[C@H](CC(=O)NCc2c(O)ccc3ccccc32)C1 ZINC001456310164 1182409890 /nfs/dbraw/zinc/40/98/90/1182409890.db2.gz OVCHJRYUCNNZNH-CQSZACIVSA-N 0 0 313.397 3.367 20 10 DGCDRN CCC[C@@](C)(NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001457123716 1182445784 /nfs/dbraw/zinc/44/57/84/1182445784.db2.gz IEGBBRLEWQWYHL-LJQANCHMSA-N 0 0 313.397 3.472 20 10 DGCDRN O=[N+]([O-])c1c2cccnc2ccc1N1Cc2cccc(O)c2C1 ZINC001458544401 1182537371 /nfs/dbraw/zinc/53/73/71/1182537371.db2.gz MQTCSEIDALADOE-UHFFFAOYSA-N 0 0 307.309 3.369 20 10 DGCDRN O=C(CSc1ncc(Cl)s1)NCc1ccccc1F ZINC001459203733 1182573336 /nfs/dbraw/zinc/57/33/36/1182573336.db2.gz ZOJMLMZWTPGTHR-UHFFFAOYSA-N 0 0 316.810 3.344 20 10 DGCDRN CO[C@H](CN1CCOc2cc(N(C)C)ccc21)C1CCCC1 ZINC001459875602 1182625557 /nfs/dbraw/zinc/62/55/57/1182625557.db2.gz MGMRMXHZYOOJGJ-GOSISDBHSA-N 0 0 304.434 3.157 20 10 DGCDRN CCOc1ccc(N(Cc2cc(OC)no2)CC2CC2)cc1 ZINC001460632453 1182702139 /nfs/dbraw/zinc/70/21/39/1182702139.db2.gz XDSIALINSNYENX-UHFFFAOYSA-N 0 0 302.374 3.499 20 10 DGCDRN C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c(F)c1)c1ccccc1O ZINC001460641180 1182703533 /nfs/dbraw/zinc/70/35/33/1182703533.db2.gz YJEBKEYMHWROIZ-JTQLQIEISA-N 0 0 322.767 3.474 20 10 DGCDRN CCc1cccc(C[NH2+][C@](CC)(C(=O)[O-])c2ccccc2)c1O ZINC001605829066 1193177187 /nfs/dbraw/zinc/17/71/87/1193177187.db2.gz XPUFWFVIMKDKPS-IBGZPJMESA-N 0 0 313.397 3.434 20 10 DGCDRN CCc1cccc(C[N@H+](CCc2ccccc2)CC(=O)[O-])c1O ZINC001605830883 1193177503 /nfs/dbraw/zinc/17/75/03/1193177503.db2.gz WGKGOHFHLNDKBJ-UHFFFAOYSA-N 0 0 313.397 3.084 20 10 DGCDRN COc1ccc(N(Cc2ccccc2)C[C@H](C)O)cc1OC ZINC001460974908 1182749008 /nfs/dbraw/zinc/74/90/08/1182749008.db2.gz TUDKWGIBDNJSLP-AWEZNQCLSA-N 0 0 301.386 3.091 20 10 DGCDRN Cc1cc(O)c(CNCc2cn3ccsc3n2)c(Cl)c1 ZINC001461116874 1182770645 /nfs/dbraw/zinc/77/06/45/1182770645.db2.gz QTQIRWTZGUSXRW-UHFFFAOYSA-N 0 0 307.806 3.353 20 10 DGCDRN c1nn(-c2ccccn2)cc1NCc1ccc(N2CCCC2)cc1 ZINC001461358100 1182800155 /nfs/dbraw/zinc/80/01/55/1182800155.db2.gz PETLNMOLCQHUGZ-UHFFFAOYSA-N 0 0 319.412 3.480 20 10 DGCDRN CCc1cccc(CNc2cn(C)nc2-c2ccccn2)c1O ZINC001462080948 1182905507 /nfs/dbraw/zinc/90/55/07/1182905507.db2.gz JVMYXOXAAHEQCC-UHFFFAOYSA-N 0 0 308.385 3.362 20 10 DGCDRN COc1cc(O)c(CNc2ncccc2OC(C)C)cc1OC ZINC001462101066 1182906944 /nfs/dbraw/zinc/90/69/44/1182906944.db2.gz CGXFSTFTUZQEIT-UHFFFAOYSA-N 0 0 318.373 3.204 20 10 DGCDRN CN(Cc1ncc[nH]1)Cc1ccc(OCc2ccccc2)cc1O ZINC001462157960 1182916597 /nfs/dbraw/zinc/91/65/97/1182916597.db2.gz PAPOLRILIRVJRL-UHFFFAOYSA-N 0 0 323.396 3.326 20 10 DGCDRN COc1cc(C)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c(O)c1 ZINC001462169573 1182917349 /nfs/dbraw/zinc/91/73/49/1182917349.db2.gz KNCHRXVJWNQNKR-ZWNOBZJWSA-N 0 0 303.324 3.482 20 10 DGCDRN COc1cc(C)c(CN[C@@H](C)c2nc(C(C)(C)C)no2)c(O)c1 ZINC001462183318 1182918905 /nfs/dbraw/zinc/91/89/05/1182918905.db2.gz HVZGCXZYXUWKIP-NSHDSACASA-N 0 0 319.405 3.241 20 10 DGCDRN CCNC(=O)c1ccc(NCc2cc(F)c(F)cc2O)c(C)c1 ZINC001462272934 1182931350 /nfs/dbraw/zinc/93/13/50/1182931350.db2.gz OQGQZTDYDINHKZ-UHFFFAOYSA-N 0 0 320.339 3.341 20 10 DGCDRN Cc1ccc(CN2CCC(=O)Nc3cc(F)ccc32)c(O)c1 ZINC001462304285 1182936083 /nfs/dbraw/zinc/93/60/83/1182936083.db2.gz IVZXVYNUEFBWSG-UHFFFAOYSA-N 0 0 300.333 3.189 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@@H](CCO)c1ccccc1F ZINC001462368143 1182943879 /nfs/dbraw/zinc/94/38/79/1182943879.db2.gz GVIAJNINQUWOQP-HNNXBMFYSA-N 0 0 311.303 3.023 20 10 DGCDRN COc1cc(C)c(C[NH2+]Cc2c(OC)cccc2OC)c(O)c1 ZINC001462415705 1182949245 /nfs/dbraw/zinc/94/92/45/1182949245.db2.gz MVVLWTNQNBJBHL-UHFFFAOYSA-N 0 0 317.385 3.016 20 10 DGCDRN Cn1c2ccc(F)cc2c(C[N@H+](C)C[C@H]2CC2(C)C)c1C(=O)[O-] ZINC001606143377 1193191541 /nfs/dbraw/zinc/19/15/41/1193191541.db2.gz KNLDQSBTGCHPIW-LLVKDONJSA-N 0 0 318.392 3.494 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1[nH]cnc1C(C)(C)C ZINC001465030786 1183126195 /nfs/dbraw/zinc/12/61/95/1183126195.db2.gz NDFKNIDZQZCRIY-UHFFFAOYSA-N 0 0 314.433 3.012 20 10 DGCDRN Cc1ccc(NC(=O)N2Cc3cccc(O)c3C2)cc1[N+](=O)[O-] ZINC001465186592 1183135232 /nfs/dbraw/zinc/13/52/32/1183135232.db2.gz MXMSVJAIAOFQBN-UHFFFAOYSA-N 0 0 313.313 3.157 20 10 DGCDRN COCc1ccccc1NC(=O)NCc1cc(C)ccc1O ZINC001465251889 1183138543 /nfs/dbraw/zinc/13/85/43/1183138543.db2.gz CYFUAKAKQUXEDD-UHFFFAOYSA-N 0 0 300.358 3.169 20 10 DGCDRN COc1cccc(CCC(=O)NCc2cccc(Cl)c2O)c1 ZINC001606860400 1193206264 /nfs/dbraw/zinc/20/62/64/1193206264.db2.gz KKGZQQBVPOSHDQ-UHFFFAOYSA-N 0 0 319.788 3.303 20 10 DGCDRN CC[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(C)c(F)c1 ZINC001466524991 1183210440 /nfs/dbraw/zinc/21/04/40/1183210440.db2.gz WXRNHSMWDMIPMD-HNNXBMFYSA-N 0 0 317.360 3.355 20 10 DGCDRN COc1ccc(CNC(=O)c2ccc(C)c3cccnc23)c(O)c1 ZINC001467470192 1183263919 /nfs/dbraw/zinc/26/39/19/1183263919.db2.gz GTZMAIOFWWAPCI-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN CCCCN(O)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC001468728324 1183353620 /nfs/dbraw/zinc/35/36/20/1183353620.db2.gz KAQGFIJJSKCPNH-UHFFFAOYSA-N 0 0 311.401 3.373 20 10 DGCDRN C[C@H](C(=O)NCc1ccc(O)cc1O)c1ccc(Cl)cc1 ZINC001469160207 1183386982 /nfs/dbraw/zinc/38/69/82/1183386982.db2.gz CXXNCKLPURMNTP-JTQLQIEISA-N 0 0 305.761 3.171 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1cc(Cl)ncc1F ZINC001469877934 1183443348 /nfs/dbraw/zinc/44/33/48/1183443348.db2.gz YWDLFDOZNLDGQN-UHFFFAOYSA-N 0 0 315.131 3.163 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)/C=C\c2ccnc(Cl)c2)c1 ZINC001470254367 1183472190 /nfs/dbraw/zinc/47/21/90/1183472190.db2.gz FMZZYDRWIQUSFA-HYXAFXHYSA-N 0 0 302.761 3.079 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CCc2cccc(F)c2F)c1 ZINC001470254998 1183473553 /nfs/dbraw/zinc/47/35/53/1183473553.db2.gz OTJFDFCQKDCBGE-UHFFFAOYSA-N 0 0 305.324 3.228 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC1=CCCC1 ZINC001470555085 1183496368 /nfs/dbraw/zinc/49/63/68/1183496368.db2.gz AUGCYLZPKATSSX-HNNXBMFYSA-N 0 0 315.461 3.402 20 10 DGCDRN CCCOc1ccc(NC(=O)c2cccc(O)c2O)cc1OC ZINC001470866920 1183519784 /nfs/dbraw/zinc/51/97/84/1183519784.db2.gz MDXJHKSZLDIFCX-UHFFFAOYSA-N 0 0 317.341 3.148 20 10 DGCDRN O=C(/C=C\c1cncc(O)c1)N(CC1CC1)c1cccc(F)c1 ZINC001471168679 1183543492 /nfs/dbraw/zinc/54/34/92/1183543492.db2.gz WOVUTVKXDPMFQV-SREVYHEPSA-N 0 0 312.344 3.383 20 10 DGCDRN C[C@H](NC(=O)c1c(F)c(F)cc(F)c1F)c1ccccc1O ZINC001471194581 1183545345 /nfs/dbraw/zinc/54/53/45/1183545345.db2.gz LBEYCYDGNLKTNR-ZETCQYMHSA-N 0 0 313.250 3.440 20 10 DGCDRN C[C@@H](NC(=O)CCc1cccc(F)c1F)c1ccccc1O ZINC001471196113 1183545553 /nfs/dbraw/zinc/54/55/53/1183545553.db2.gz VCFBFMCXCSNZHF-LLVKDONJSA-N 0 0 305.324 3.480 20 10 DGCDRN C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1N)c1ccccc1O ZINC001471195714 1183545686 /nfs/dbraw/zinc/54/56/86/1183545686.db2.gz MKTFCVKXSDFEMH-SECBINFHSA-N 0 0 324.302 3.484 20 10 DGCDRN O=C(CCc1ccc2ccccc2n1)N1Cc2cccc(O)c2C1 ZINC001471355893 1183558502 /nfs/dbraw/zinc/55/85/02/1183558502.db2.gz ZMEZSNKGPGEOCE-UHFFFAOYSA-N 0 0 318.376 3.415 20 10 DGCDRN O=C(c1ccn(Cc2ccccc2)c1)N1Cc2cccc(O)c2C1 ZINC001471355848 1183558724 /nfs/dbraw/zinc/55/87/24/1183558724.db2.gz XRFIDHUWYULLNB-UHFFFAOYSA-N 0 0 318.376 3.398 20 10 DGCDRN Cc1ccc(Cl)cc1CNC(=O)NCc1c(O)cccc1F ZINC001471509065 1183569787 /nfs/dbraw/zinc/56/97/87/1183569787.db2.gz OHIYCUZAFYNIMJ-UHFFFAOYSA-N 0 0 322.767 3.493 20 10 DGCDRN C[C@H](Cc1ccccc1Cl)C(=O)NCc1cccc(O)c1O ZINC001471642009 1183580332 /nfs/dbraw/zinc/58/03/32/1183580332.db2.gz FVYNPHVKSWVQLL-LLVKDONJSA-N 0 0 319.788 3.246 20 10 DGCDRN O=C(/C=C\Sc1ccccc1)NCc1cc(O)ccc1O ZINC001471662234 1183580347 /nfs/dbraw/zinc/58/03/47/1183580347.db2.gz USYQPZXFJWILFJ-HJWRWDBZSA-N 0 0 301.367 3.020 20 10 DGCDRN CCc1c2ccccc2oc1C(=O)NCc1cccc(O)c1O ZINC001471641986 1183580792 /nfs/dbraw/zinc/58/07/92/1183580792.db2.gz DYNYQYXDEVNMDB-UHFFFAOYSA-N 0 0 311.337 3.336 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001471975713 1183604283 /nfs/dbraw/zinc/60/42/83/1183604283.db2.gz DSQKBLCLALNFBB-QWHCGFSZSA-N 0 0 303.308 3.090 20 10 DGCDRN CC1(C)Cc2cccc(C(=O)NCc3c(O)cccc3F)c2O1 ZINC001471975844 1183604566 /nfs/dbraw/zinc/60/45/66/1183604566.db2.gz JKHQFZBCOAECDH-UHFFFAOYSA-N 0 0 315.344 3.175 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cnn2c1CCCC2 ZINC001472084736 1183614472 /nfs/dbraw/zinc/61/44/72/1183614472.db2.gz COKHRHALVNBBRH-UHFFFAOYSA-N 0 0 321.380 3.008 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1scnc1C(F)F ZINC001472316630 1183633996 /nfs/dbraw/zinc/63/39/96/1183633996.db2.gz AGXGQQYNQHPVTH-UHFFFAOYSA-N 0 0 318.732 3.370 20 10 DGCDRN CCOc1cc(NCc2ccc(N(CC)CC)c(F)c2)ncn1 ZINC001472691725 1183667921 /nfs/dbraw/zinc/66/79/21/1183667921.db2.gz WBUDCFSJOJOIMB-UHFFFAOYSA-N 0 0 318.396 3.473 20 10 DGCDRN CCc1cc(N[C@@H](C)Cc2ccc(O)c(O)c2)nc(CC)n1 ZINC001472754779 1183677221 /nfs/dbraw/zinc/67/72/21/1183677221.db2.gz AJYYDYWBUKLUAW-NSHDSACASA-N 0 0 301.390 3.056 20 10 DGCDRN Cc1cc2nc(Cl)cc(NCc3c(O)cccc3F)n2n1 ZINC001472883145 1183695052 /nfs/dbraw/zinc/69/50/52/1183695052.db2.gz HNCVNNXNLPPCIH-UHFFFAOYSA-N 0 0 306.728 3.148 20 10 DGCDRN CCc1oc(C(=O)OC)cc1CN(C)c1ccc(OC)cc1 ZINC001473613790 1183781419 /nfs/dbraw/zinc/78/14/19/1183781419.db2.gz ZXUZFWXZTJWNEZ-UHFFFAOYSA-N 0 0 303.358 3.274 20 10 DGCDRN CC(=O)Nc1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC001473919727 1183827182 /nfs/dbraw/zinc/82/71/82/1183827182.db2.gz OCDXTPHKQYNMJS-UHFFFAOYSA-N 0 0 322.767 3.433 20 10 DGCDRN O=C1COc2cc(NCc3ccc(N4CCCC4)cc3)ccc2N1 ZINC001473946116 1183834776 /nfs/dbraw/zinc/83/47/76/1183834776.db2.gz IVYFBQGURLPLNE-UHFFFAOYSA-N 0 0 323.396 3.230 20 10 DGCDRN COC(=O)c1ccc(CNc2ccc3c(c2)ncn3C)cc1C ZINC001474050603 1183857061 /nfs/dbraw/zinc/85/70/61/1183857061.db2.gz NACZVKMXZIQERM-UHFFFAOYSA-N 0 0 309.369 3.280 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(Br)cc(F)c1[O-])c1ccc[nH]1 ZINC001474099339 1183867440 /nfs/dbraw/zinc/86/74/40/1183867440.db2.gz MGYPFKIRYDOQKA-QMMMGPOBSA-N 0 0 313.170 3.473 20 10 DGCDRN Cc1nc2ccccn2c1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001474292777 1183898451 /nfs/dbraw/zinc/89/84/51/1183898451.db2.gz GFIIDSOWPXJLAL-UHFFFAOYSA-N 0 0 319.767 3.431 20 10 DGCDRN COc1cc(F)cc(CN2CCOc3cc(N(C)C)ccc32)c1 ZINC001474423278 1183919776 /nfs/dbraw/zinc/91/97/76/1183919776.db2.gz ZMJZIFHGAPLZFJ-UHFFFAOYSA-N 0 0 316.376 3.299 20 10 DGCDRN CC(C)c1ncc2c(n1)CCN(Cc1cc(F)c(F)cc1O)C2 ZINC001474638471 1183953630 /nfs/dbraw/zinc/95/36/30/1183953630.db2.gz GOFMJSDKXBMZDE-UHFFFAOYSA-N 0 0 319.355 3.142 20 10 DGCDRN O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001474658113 1183957233 /nfs/dbraw/zinc/95/72/33/1183957233.db2.gz JGFJNQZDHLADAQ-HNNXBMFYSA-N 0 0 322.836 3.023 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(F)c(F)cc1[O-])c1ccc2c(c1)CCO2 ZINC001474726340 1183968897 /nfs/dbraw/zinc/96/88/97/1183968897.db2.gz LATGHEGXPWNFEC-SNVBAGLBSA-N 0 0 305.324 3.456 20 10 DGCDRN Cc1ccc(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)cc1F ZINC001607783104 1193256863 /nfs/dbraw/zinc/25/68/63/1193256863.db2.gz PRCKRLHINZQHAL-NSHDSACASA-N 0 0 303.333 3.389 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1cncc(C(F)(F)F)c1 ZINC001477219811 1184074277 /nfs/dbraw/zinc/07/42/77/1184074277.db2.gz LHOMNMALGRFSHT-UHFFFAOYSA-N 0 0 311.263 3.128 20 10 DGCDRN CC[C@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)[C@H]1C ZINC001477635002 1184103125 /nfs/dbraw/zinc/10/31/25/1184103125.db2.gz OSIVTVGCXVRBLS-HOCLYGCPSA-N 0 0 315.461 3.399 20 10 DGCDRN C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1(C)C ZINC001477652288 1184104218 /nfs/dbraw/zinc/10/42/18/1184104218.db2.gz KTGTYZMODLVLDI-ZDUSSCGKSA-N 0 0 321.440 3.469 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC2(C3CCC3)CCC2)cc1F ZINC001477652270 1184104384 /nfs/dbraw/zinc/10/43/84/1184104384.db2.gz KNGVEKVLUCNQGJ-UHFFFAOYSA-N 0 0 319.424 3.414 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC[C@H]2CC3CCC2CC3)c1 ZINC001478863543 1184181531 /nfs/dbraw/zinc/18/15/31/1184181531.db2.gz ACOJYPLACLTLMF-YMAMQOFZSA-N 0 0 302.418 3.326 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@H]1C=CCC1 ZINC001479184651 1184206900 /nfs/dbraw/zinc/20/69/00/1184206900.db2.gz VNEGXOWNQJQUNA-INIZCTEOSA-N 0 0 313.445 3.394 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@@H]1C=CCC1 ZINC001479184653 1184207595 /nfs/dbraw/zinc/20/75/95/1184207595.db2.gz VNEGXOWNQJQUNA-MRXNPFEDSA-N 0 0 313.445 3.394 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@@H]1CCCc2ccccc2C1 ZINC001479465169 1184255683 /nfs/dbraw/zinc/25/56/83/1184255683.db2.gz CRWFHZDRVAERLE-QGZVFWFLSA-N 0 0 310.397 3.139 20 10 DGCDRN O=C([O-])C1=CC[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC001608585861 1193294801 /nfs/dbraw/zinc/29/48/01/1193294801.db2.gz FYPBEALXFJNWQR-QGZVFWFLSA-N 0 0 309.365 3.322 20 10 DGCDRN O=C([O-])/C=C\c1ccc(C[NH2+]Cc2cc(Cl)ccc2O)o1 ZINC001608660524 1193298651 /nfs/dbraw/zinc/29/86/51/1193298651.db2.gz UJGAKKZXUSBKIT-XQRVVYSFSA-N 0 0 307.733 3.026 20 10 DGCDRN C[C@@H](Cc1ccsc1)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001609750103 1193354132 /nfs/dbraw/zinc/35/41/32/1193354132.db2.gz MCYZRWMVPGJAFK-QWRGUYRKSA-N 0 0 305.399 3.434 20 10 DGCDRN C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001609755256 1193354255 /nfs/dbraw/zinc/35/42/55/1193354255.db2.gz YTNCTARQIGXANQ-NEPJUHHUSA-N 0 0 315.369 3.078 20 10 DGCDRN C[C@H]([NH2+][C@H](CO)CC1CCCCC1)c1cc(C(=O)[O-])ccc1O ZINC001609778746 1193355315 /nfs/dbraw/zinc/35/53/15/1193355315.db2.gz XOVKTELEQVZKEF-WFASDCNBSA-N 0 0 321.417 3.072 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(C(=O)[O-])ccc1F)c1ccc(N(C)C)cc1 ZINC001609779537 1193356278 /nfs/dbraw/zinc/35/62/78/1193356278.db2.gz LMMMZOWNXCZSCR-GFCCVEGCSA-N 0 0 316.376 3.441 20 10 DGCDRN CCc1oc(C(=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC001610075159 1193375478 /nfs/dbraw/zinc/37/54/78/1193375478.db2.gz AOHHQZPLTGXVBM-LBPRGKRZSA-N 0 0 316.401 3.457 20 10 DGCDRN COC[C@@H]([NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O)c1ccc(C)o1 ZINC001610249623 1193379800 /nfs/dbraw/zinc/37/98/00/1193379800.db2.gz RJVCKQFVZWPTCT-BXUZGUMPSA-N 0 0 319.357 3.030 20 10 DGCDRN Cc1cc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC001610461085 1193390138 /nfs/dbraw/zinc/39/01/38/1193390138.db2.gz IUKCHHQWSVDSJU-GXTWGEPZSA-N 0 0 305.418 3.293 20 10 DGCDRN Cc1cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC001610461088 1193390272 /nfs/dbraw/zinc/39/02/72/1193390272.db2.gz IUKCHHQWSVDSJU-OCCSQVGLSA-N 0 0 305.418 3.293 20 10 DGCDRN Cc1cc(C[NH2+][C@]2(C)CCCC[C@@H]2C(=O)[O-])ccc1N(C)C ZINC001610460786 1193390369 /nfs/dbraw/zinc/39/03/69/1193390369.db2.gz FQDIAFJPBJYHKT-CRAIPNDOSA-N 0 0 304.434 3.184 20 10 DGCDRN C[C@H](NC(=O)c1c(F)ccc(O)c1O)[C@@H]1CC2CCC1CC2 ZINC001611538687 1193436818 /nfs/dbraw/zinc/43/68/18/1193436818.db2.gz ZUMWZWZDIQIFGL-XKGSQUFQSA-N 0 0 307.365 3.182 20 10 DGCDRN Nc1ccc(CNC(=O)c2scnc2C2CCCC2)cc1 ZINC001515333924 1186754423 /nfs/dbraw/zinc/75/44/23/1186754423.db2.gz ZCSQNORBEFPEDX-UHFFFAOYSA-N 0 0 301.415 3.313 20 10 DGCDRN CCOc1cc(NCCCSc2nccs2)nc(C)n1 ZINC001611945055 1193443715 /nfs/dbraw/zinc/44/37/15/1193443715.db2.gz NEGSTCJMIDDODO-UHFFFAOYSA-N 0 0 310.448 3.235 20 10 DGCDRN Cc1ncccc1/C=C\C(=O)N(CC(F)(F)F)c1ccccn1 ZINC001518363018 1186838681 /nfs/dbraw/zinc/83/86/81/1186838681.db2.gz WRSIHKUVBREMNC-FPLPWBNLSA-N 0 0 321.302 3.394 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C23CCC(CC2)CC3)cc1F ZINC001519265878 1186870836 /nfs/dbraw/zinc/87/08/36/1186870836.db2.gz NLZHCMNHWCCXIX-UHFFFAOYSA-N 0 0 304.409 3.478 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C/c2cccnc2C)c(OC)c1 ZINC001519543871 1186881223 /nfs/dbraw/zinc/88/12/23/1186881223.db2.gz QCBFUINFHAZQEL-JXMROGBWSA-N 0 0 312.369 3.083 20 10 DGCDRN COC(=O)/C=C/c1ccc(N2C[C@H](C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC001612509828 1193453546 /nfs/dbraw/zinc/45/35/46/1193453546.db2.gz NGMRPFLRPUTNNY-XOGUKDBDSA-N 0 0 318.373 3.262 20 10 DGCDRN O=C(NCCCc1ccsc1)N1Cc2cccc(O)c2C1 ZINC001519910858 1186902745 /nfs/dbraw/zinc/90/27/45/1186902745.db2.gz FJRQUGXJBQNABP-UHFFFAOYSA-N 0 0 302.399 3.112 20 10 DGCDRN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CC[C@@H](C)C1 ZINC001612537266 1193454433 /nfs/dbraw/zinc/45/44/33/1193454433.db2.gz AUESHYQKWAJDKV-HIFRSBDPSA-N 0 0 314.433 3.365 20 10 DGCDRN Cc1ccc(NC(=O)N(C)Cc2ccccc2O)c(Cl)n1 ZINC001520293620 1186930708 /nfs/dbraw/zinc/93/07/08/1186930708.db2.gz OPDQBRTWOXXMRP-UHFFFAOYSA-N 0 0 305.765 3.413 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1CCCC[C@H](C)C1 ZINC001520739524 1186964781 /nfs/dbraw/zinc/96/47/81/1186964781.db2.gz ZPPAMXMFOIMWDX-NSHDSACASA-N 0 0 306.435 3.359 20 10 DGCDRN CC(C)n1cnc2ccc(CNC(=O)C3=CC(=O)CS3)cc21 ZINC001521861619 1187053501 /nfs/dbraw/zinc/05/35/01/1187053501.db2.gz AXEDOMGFBLJSET-UHFFFAOYSA-N 0 0 315.398 3.314 20 10 DGCDRN Cc1cc2c(c(F)c1)C[C@H](C(=O)N[C@H](C)c1ccccc1O)N2 ZINC001522341044 1187076523 /nfs/dbraw/zinc/07/65/23/1187076523.db2.gz FHWIRWIFIQFLNM-BDJLRTHQSA-N 0 0 314.360 3.054 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCO[C@@H](c2ccccc2)CC1 ZINC001522755057 1187100492 /nfs/dbraw/zinc/10/04/92/1187100492.db2.gz HJLXTMJLDYFOMU-CQSZACIVSA-N 0 0 303.383 3.058 20 10 DGCDRN Cc1ccncc1CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001523559747 1187172736 /nfs/dbraw/zinc/17/27/36/1187172736.db2.gz OBPUBKXAIILJSK-UHFFFAOYSA-N 0 0 323.440 3.191 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cccc3c2OC(C)(C)C3)cc1 ZINC001524861907 1187276660 /nfs/dbraw/zinc/27/66/60/1187276660.db2.gz QRTOBTMZWWYOIW-UHFFFAOYSA-N 0 0 324.424 3.396 20 10 DGCDRN CCCCO[C@H](C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001525107480 1187297040 /nfs/dbraw/zinc/29/70/40/1187297040.db2.gz STSXNCGIRABBOC-MRXNPFEDSA-N 0 0 318.461 3.450 20 10 DGCDRN Cc1cnc(Cl)c(C(=O)Nc2c3nonc3ccc2Cl)c1 ZINC001525322695 1187307569 /nfs/dbraw/zinc/30/75/69/1187307569.db2.gz VZVCZBGTQLELCA-UHFFFAOYSA-N 0 0 323.139 3.485 20 10 DGCDRN CC(C)CN(C(=O)/C=C\c1cncc(F)c1)c1ccc(F)cn1 ZINC001527093909 1187409851 /nfs/dbraw/zinc/40/98/51/1187409851.db2.gz AHNJMHFPWVAZGE-UTCJRWHESA-N 0 0 317.339 3.457 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@]1(C)C=CCC1 ZINC001529277410 1187546160 /nfs/dbraw/zinc/54/61/60/1187546160.db2.gz GNTYAJZVIPFPJS-BEFAXECRSA-N 0 0 300.446 3.465 20 10 DGCDRN C[C@@H](CSC(F)(F)F)C(=O)NCc1ccc(N(C)C)cc1 ZINC001531322616 1187679543 /nfs/dbraw/zinc/67/95/43/1187679543.db2.gz ZXTSGMNHYJUBQO-JTQLQIEISA-N 0 0 320.380 3.258 20 10 DGCDRN CC[C@H](OC)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001531612060 1187698786 /nfs/dbraw/zinc/69/87/86/1187698786.db2.gz KVQPATTVSYAXNW-SFHVURJKSA-N 0 0 314.429 3.444 20 10 DGCDRN Cc1cc(CNC(=O)c2cccnn2)c(C)n1-c1cccc(C)c1 ZINC001531612970 1187698818 /nfs/dbraw/zinc/69/88/18/1187698818.db2.gz ZHXCYEJXPHVLNN-UHFFFAOYSA-N 0 0 320.396 3.123 20 10 DGCDRN CCCN(C(=O)/C=C\c1cnc(OC)nc1)c1ccccc1F ZINC001532603959 1187770413 /nfs/dbraw/zinc/77/04/13/1187770413.db2.gz NVQIUDOFAFNDCZ-HJWRWDBZSA-N 0 0 315.348 3.081 20 10 DGCDRN C[C@@H]1CC/C(=C\C(=O)N2CCOc3cc(N(C)C)ccc32)C1 ZINC001532657166 1187774822 /nfs/dbraw/zinc/77/48/22/1187774822.db2.gz UXUUWJRFHCBSCE-MBFWDRTGSA-N 0 0 300.402 3.224 20 10 DGCDRN CCOC(=O)c1ccccc1N(C)C(=O)/C(C)=C/c1cccnc1 ZINC001537331265 1188066074 /nfs/dbraw/zinc/06/60/74/1188066074.db2.gz DHLSZNKVHDWYRS-WYMLVPIESA-N 0 0 324.380 3.325 20 10 DGCDRN C[C@H](c1ccccc1)N(Cc1nc[nH]n1)Cc1ccccc1O ZINC001616409930 1193539030 /nfs/dbraw/zinc/53/90/30/1193539030.db2.gz BFKXTNVOHWVTNS-CQSZACIVSA-N 0 0 308.385 3.274 20 10 DGCDRN O=C(/C=C\c1cccnc1)N1CCCc2c(F)c(F)c(F)cc21 ZINC001544733756 1188407853 /nfs/dbraw/zinc/40/78/53/1188407853.db2.gz LNMALXKDXUWBNX-WAYWQWQTSA-N 0 0 318.298 3.492 20 10 DGCDRN Cc1c(F)c(F)ccc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC001562933458 1188726829 /nfs/dbraw/zinc/72/68/29/1188726829.db2.gz TVLMZRNAHZWDBB-UHFFFAOYSA-N 0 0 322.311 3.049 20 10 DGCDRN CCCC[C@@H](O)CCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001556260972 1188992399 /nfs/dbraw/zinc/99/23/99/1188992399.db2.gz WPZQQFJDNCTPAT-WMLDXEAASA-N 0 0 306.450 3.261 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCC1CSC1 ZINC001556607799 1189009822 /nfs/dbraw/zinc/00/98/22/1189009822.db2.gz RHJXLEINAQLJRD-UHFFFAOYSA-N 0 0 314.454 3.495 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2cccc(C3CC3)n2)cc1 ZINC001556719924 1189016272 /nfs/dbraw/zinc/01/62/72/1189016272.db2.gz WGFSMHURAWQNKM-UHFFFAOYSA-N 0 0 309.329 3.374 20 10 DGCDRN Cc1ccccc1CCN(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001556772080 1189019098 /nfs/dbraw/zinc/01/90/98/1189019098.db2.gz WUJXZGNQYGKWMC-CSKARUKUSA-N 0 0 311.381 3.121 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)NCc1cc(Cl)ccc1O ZINC001557387501 1189060921 /nfs/dbraw/zinc/06/09/21/1189060921.db2.gz UMUNDQHQRBKIIB-GORDUTHDSA-N 0 0 302.761 3.079 20 10 DGCDRN CCCSc1cccc(NC(=O)Cc2ccc(O)c(O)c2)n1 ZINC001557877406 1189090081 /nfs/dbraw/zinc/09/00/81/1189090081.db2.gz VTKBKBAKLGSHEQ-UHFFFAOYSA-N 0 0 318.398 3.176 20 10 DGCDRN Cc1cc(CNC(=O)c2ccn[nH]2)c(C)n1-c1cccc(C)c1 ZINC001557887228 1189091087 /nfs/dbraw/zinc/09/10/87/1189091087.db2.gz FEBCNTXVMRIMTO-UHFFFAOYSA-N 0 0 308.385 3.056 20 10 DGCDRN Cc1ccccc1-n1cc(C(=O)N[C@H](C)c2ccccc2O)cn1 ZINC001557966843 1189094720 /nfs/dbraw/zinc/09/47/20/1189094720.db2.gz RACOZLHMYZELLP-CQSZACIVSA-N 0 0 321.380 3.377 20 10 DGCDRN COc1cccc2[nH]c(C(=O)N[C@H](C)c3ccccc3O)cc21 ZINC001557967465 1189095528 /nfs/dbraw/zinc/09/55/28/1189095528.db2.gz DEJNEEKOGGFJAH-LLVKDONJSA-N 0 0 310.353 3.373 20 10 DGCDRN CC(C)COc1ncccc1C(=O)N[C@@H](C)c1ccccc1O ZINC001557968402 1189096217 /nfs/dbraw/zinc/09/62/17/1189096217.db2.gz YAAASEHIWLXBHV-ZDUSSCGKSA-N 0 0 314.385 3.313 20 10 DGCDRN O=C(c1ncc(C(F)(F)F)s1)N1Cc2cccc(O)c2C1 ZINC001558035334 1189101014 /nfs/dbraw/zinc/10/10/14/1189101014.db2.gz GUEDSUMSDGFXCL-UHFFFAOYSA-N 0 0 314.288 3.024 20 10 DGCDRN Cc1conc1CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001558341206 1189118669 /nfs/dbraw/zinc/11/86/69/1189118669.db2.gz JSIYRKJINQZWQO-UHFFFAOYSA-N 0 0 309.369 3.321 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1cc2c(cccc2C2CC2)[nH]1 ZINC001558536148 1189132243 /nfs/dbraw/zinc/13/22/43/1189132243.db2.gz UOABALHKMBVXSC-UHFFFAOYSA-N 0 0 322.364 3.387 20 10 DGCDRN Cc1ccc2c(CC(=O)NCc3c(O)cccc3O)coc2c1 ZINC001558534627 1189132297 /nfs/dbraw/zinc/13/22/97/1189132297.db2.gz TYNGFYBVJLAWTL-UHFFFAOYSA-N 0 0 311.337 3.011 20 10 DGCDRN Cc1cccc([C@H](C)CNC(=O)c2c(F)ccc(O)c2O)c1 ZINC001558938992 1189157339 /nfs/dbraw/zinc/15/73/39/1189157339.db2.gz DQEMECWUNVLTIH-LLVKDONJSA-N 0 0 303.333 3.079 20 10 DGCDRN CC[C@@H](CCc1ccccc1)NC(=O)c1c(F)ccc(O)c1O ZINC001559014404 1189163004 /nfs/dbraw/zinc/16/30/04/1189163004.db2.gz BXBQALYLOSSMSF-ZDUSSCGKSA-N 0 0 317.360 3.378 20 10 DGCDRN Oc1cccc(O)c1CNc1nc(Cl)nc2ccccc21 ZINC001559287837 1189192840 /nfs/dbraw/zinc/19/28/40/1189192840.db2.gz GAUZHHBGBWMJTB-UHFFFAOYSA-N 0 0 301.733 3.307 20 10 DGCDRN COC(=O)[C@H](c1ccc(Cl)cc1)N(C)Cc1ccccc1O ZINC001559607256 1189223025 /nfs/dbraw/zinc/22/30/25/1189223025.db2.gz GSQUKCOEQQWLIF-INIZCTEOSA-N 0 0 319.788 3.392 20 10 DGCDRN CCN(Cc1ccc2oc(=O)n(C)c2c1)c1ccc(OC)cc1 ZINC001559621220 1189223956 /nfs/dbraw/zinc/22/39/56/1189223956.db2.gz NNRFGDOIEJKECD-UHFFFAOYSA-N 0 0 312.369 3.167 20 10 DGCDRN COc1ccc(N(CCC(C)C)C[C@@H]2CCc3ncnn32)cc1 ZINC001559809676 1189243736 /nfs/dbraw/zinc/24/37/36/1189243736.db2.gz JJZGZSQZWPPDHD-INIZCTEOSA-N 0 0 314.433 3.327 20 10 DGCDRN CCN(C)c1ccc(CN(C)Cc2cc(OC)ns2)cc1 ZINC001560174231 1189287326 /nfs/dbraw/zinc/28/73/26/1189287326.db2.gz XQJMUOCKMHETBY-UHFFFAOYSA-N 0 0 305.447 3.240 20 10 DGCDRN Cc1nccn1-c1ncccc1NCc1cc(F)cc(F)c1O ZINC001560425257 1189327801 /nfs/dbraw/zinc/32/78/01/1189327801.db2.gz XWDLNYOLMSTROY-UHFFFAOYSA-N 0 0 316.311 3.172 20 10 DGCDRN CC(C)OC(=O)[C@@H](NC/C=C/c1ccc(N(C)C)cc1)C(C)C ZINC001560481068 1189332052 /nfs/dbraw/zinc/33/20/52/1189332052.db2.gz WXRBGPFTVLGZSH-DVBCCOPCSA-N 0 0 318.461 3.332 20 10 DGCDRN Oc1ccc(Cl)c(F)c1CNc1cn(-c2ccccc2)nn1 ZINC001560625978 1189351646 /nfs/dbraw/zinc/35/16/46/1189351646.db2.gz WTDVEDAXTKXYHD-UHFFFAOYSA-N 0 0 318.739 3.378 20 10 DGCDRN CN(C)c1cc(F)c(CN2CCOCC23CCCC3)cc1F ZINC001560690445 1189361413 /nfs/dbraw/zinc/36/14/13/1189361413.db2.gz UDPJMRTVQYKQDT-UHFFFAOYSA-N 0 0 310.388 3.176 20 10 DGCDRN COc1ccc2c(c1)N(Cc1ccc(N(C)C)cc1C)CCO2 ZINC001560733939 1189369413 /nfs/dbraw/zinc/36/94/13/1189369413.db2.gz FIXIQFFXKXDWND-UHFFFAOYSA-N 0 0 312.413 3.469 20 10 DGCDRN CN(Cc1cnc(Cl)n1C)Cc1ccc(N2CCCC2)cc1 ZINC001560815341 1189386524 /nfs/dbraw/zinc/38/65/24/1189386524.db2.gz ATQHQDBJHGNPJY-UHFFFAOYSA-N 0 0 318.852 3.306 20 10 DGCDRN COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(F)c(F)cc2[O-])c1 ZINC001560815241 1189386576 /nfs/dbraw/zinc/38/65/76/1189386576.db2.gz UYACHNFBBFFYKP-SECBINFHSA-N 0 0 309.312 3.235 20 10 DGCDRN CN1Cc2c(cccc2NCc2ccc(Cl)cc2O)C1=O ZINC001560883074 1189400170 /nfs/dbraw/zinc/40/01/70/1189400170.db2.gz INKFJYIOABFEHY-UHFFFAOYSA-N 0 0 302.761 3.243 20 10 DGCDRN COCc1cc(NCc2c(C)cc(OC)cc2O)ccc1OC ZINC001560978027 1189414678 /nfs/dbraw/zinc/41/46/78/1189414678.db2.gz KRUJKWGSJICVKQ-UHFFFAOYSA-N 0 0 317.385 3.476 20 10 DGCDRN COc1c([O-])c(C[N@H+](C)C[C@H](C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC001560999484 1189418241 /nfs/dbraw/zinc/41/82/41/1189418241.db2.gz WLEFMPMNUVADJO-NSHDSACASA-N 0 0 310.394 3.423 20 10 DGCDRN CC1CCC(S(=O)(=O)NCc2cc(Cl)ccc2O)CC1 ZINC001561725309 1189457811 /nfs/dbraw/zinc/45/78/11/1189457811.db2.gz SXHPVWRUKJQUPW-UHFFFAOYSA-N 0 0 317.838 3.044 20 10 DGCDRN CC[C@H]1CCC[C@H]1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC001563792621 1189534233 /nfs/dbraw/zinc/53/42/33/1189534233.db2.gz SXUYHEZEUQNVNA-DOTOQJQBSA-N 0 0 315.461 3.447 20 10 DGCDRN CC[C@H]1CCCC[C@H]1CNC(=O)NCc1ccc(OC)cc1O ZINC001564846713 1189600420 /nfs/dbraw/zinc/60/04/20/1189600420.db2.gz BHHXFNTXHQRCNL-KBPBESRZSA-N 0 0 320.433 3.416 20 10 DGCDRN O=C(NCc1c(O)cccc1F)NC[C@H]1C[C@@H]1C1CCCC1 ZINC001565481153 1189649226 /nfs/dbraw/zinc/64/92/26/1189649226.db2.gz HWFWONKZMARMBR-CHWSQXEVSA-N 0 0 306.381 3.157 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(F)ccc1N ZINC001566305459 1189760697 /nfs/dbraw/zinc/76/06/97/1189760697.db2.gz VWKZCZVEAVMZFZ-UHFFFAOYSA-N 0 0 302.349 3.166 20 10 DGCDRN COc1ccc(N(CC(C)C)C[C@H]2CN(C3CC3)C(=O)O2)cc1 ZINC001618637564 1193745849 /nfs/dbraw/zinc/74/58/49/1193745849.db2.gz NPYCBULLPXJLRV-KRWDZBQOSA-N 0 0 318.417 3.141 20 10 DGCDRN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2ccccc2O)c1O ZINC001620504787 1193772938 /nfs/dbraw/zinc/77/29/38/1193772938.db2.gz AVFRKBBNZBAETQ-JTQLQIEISA-N 0 0 303.333 3.290 20 10 DGCDRN CCOc1ccc(N(C)C[C@H]2CCC[C@]3(CCOC3)O2)cc1 ZINC001620559742 1193779020 /nfs/dbraw/zinc/77/90/20/1193779020.db2.gz BHZWYUVSYUAJMM-QZTJIDSGSA-N 0 0 305.418 3.250 20 10 DGCDRN CCOc1ccc(N(C)C[C@H]2CCC[C@@]3(CCOC3)O2)cc1 ZINC001620559741 1193779201 /nfs/dbraw/zinc/77/92/01/1193779201.db2.gz BHZWYUVSYUAJMM-MSOLQXFVSA-N 0 0 305.418 3.250 20 10 DGCDRN COc1cc(C)cc(CN(CC(=O)OC(C)(C)C)C(C)C)c1O ZINC001621149006 1193807905 /nfs/dbraw/zinc/80/79/05/1193807905.db2.gz ZVEBRIIKNTYUFI-UHFFFAOYSA-N 0 0 323.433 3.261 20 10 DGCDRN CCOc1ncc(C)cc1NCc1cc(C)cc(OC)c1O ZINC001621356567 1193832849 /nfs/dbraw/zinc/83/28/49/1193832849.db2.gz DVJCSSQNLLFXPG-UHFFFAOYSA-N 0 0 302.374 3.423 20 10 DGCDRN CC(C)OC1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC001621506562 1193851998 /nfs/dbraw/zinc/85/19/98/1193851998.db2.gz JYTXQZJTKAPTEH-UHFFFAOYSA-N 0 0 316.367 3.381 20 10 DGCDRN C[N@H+](CCCC(=O)OC(C)(C)C)Cc1ccc(F)c(F)c1[O-] ZINC001621553337 1193857878 /nfs/dbraw/zinc/85/78/78/1193857878.db2.gz LAHUFZICAKOUIJ-UHFFFAOYSA-N 0 0 315.360 3.224 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2c(F)ccnc2Cl)c1 ZINC001622779356 1193911971 /nfs/dbraw/zinc/91/19/71/1193911971.db2.gz OIIBDGJARMGLKY-QMMMGPOBSA-N 0 0 324.739 3.079 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(F)c1C ZINC001623574642 1193939332 /nfs/dbraw/zinc/93/93/32/1193939332.db2.gz VQGPVKOAVZDNOK-UHFFFAOYSA-N 0 0 308.349 3.255 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CC2CCC1CC2 ZINC001623574500 1193939354 /nfs/dbraw/zinc/93/93/54/1193939354.db2.gz PSBKLJBXCQYGTM-RUXDESIVSA-N 0 0 308.418 3.320 20 10 DGCDRN Cc1cc(CNC(=O)[C@@H]2C[C@@H](C)CO2)c(C)n1-c1ccccc1 ZINC001624075621 1193979667 /nfs/dbraw/zinc/97/96/67/1193979667.db2.gz WHFAUPIOWMVYNK-ACJLOTCBSA-N 0 0 312.413 3.135 20 10 DGCDRN O=C(NC1(Cc2cccc(Cl)c2)CC1)c1cccc(O)c1O ZINC001624240199 1193988087 /nfs/dbraw/zinc/98/80/87/1193988087.db2.gz CMBNDBPCIXCHMU-UHFFFAOYSA-N 0 0 317.772 3.256 20 10 DGCDRN C/C(=C/C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1cccs1 ZINC001624954858 1194023435 /nfs/dbraw/zinc/02/34/35/1194023435.db2.gz LVYHKODHZJVTDA-KGTBHZDVSA-N 0 0 317.410 3.310 20 10 DGCDRN C[C@H](NC(=O)c1ccc2[nH]ccc2n1)c1ccc(N(C)C)cc1 ZINC001625543400 1194057759 /nfs/dbraw/zinc/05/77/59/1194057759.db2.gz FSBRDJCIYPIDQP-LBPRGKRZSA-N 0 0 308.385 3.120 20 10 DGCDRN C[C@@H](C(=O)NCc1ccc2cccnc2c1O)c1cccc(F)c1 ZINC001627070082 1194109550 /nfs/dbraw/zinc/10/95/50/1194109550.db2.gz WAPGFYNJFVTHRS-GFCCVEGCSA-N 0 0 324.355 3.499 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)c1cc2ncccc2o1 ZINC001627073503 1194110423 /nfs/dbraw/zinc/11/04/23/1194110423.db2.gz PXPGBOOAXMDDGV-UHFFFAOYSA-N 0 0 319.320 3.012 20 10 DGCDRN CCCCC[C@@H](O)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC001627604533 1194136592 /nfs/dbraw/zinc/13/65/92/1194136592.db2.gz LGHROOIXPMSLGH-QGZVFWFLSA-N 0 0 324.440 3.229 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)NCCCCCc1ccccc1 ZINC001627879896 1194147846 /nfs/dbraw/zinc/14/78/46/1194147846.db2.gz ZPMPMFYABKRFRY-UHFFFAOYSA-N 0 0 313.397 3.170 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCCC12CCCCC2 ZINC001629302045 1194224985 /nfs/dbraw/zinc/22/49/85/1194224985.db2.gz MWXUAZMQCGILRT-INIZCTEOSA-N 0 0 303.402 3.260 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCCC[C@@H]2C=CCC2)cc1 ZINC001629376674 1194230730 /nfs/dbraw/zinc/23/07/30/1194230730.db2.gz LQEMAZUXKSOAGT-OAHLLOKOSA-N 0 0 301.434 3.298 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC1CCCC1 ZINC001629583003 1194242136 /nfs/dbraw/zinc/24/21/36/1194242136.db2.gz UDIWEYJOIQBRHE-HNNXBMFYSA-N 0 0 317.477 3.481 20 10 DGCDRN Cc1c(=O)[nH]c2ccccc2c1C(=O)N(C)Cc1ccccc1O ZINC001629954881 1194262071 /nfs/dbraw/zinc/26/20/71/1194262071.db2.gz ICDZUOFCJLRYEQ-UHFFFAOYSA-N 0 0 322.364 3.227 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1cc2cccc(Cl)c2o1 ZINC001630302013 1194279689 /nfs/dbraw/zinc/27/96/89/1194279689.db2.gz PHGSCUVBJDSLOA-UHFFFAOYSA-N 0 0 317.728 3.427 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2c(F)nccc2Cl)c1 ZINC001630373880 1194282892 /nfs/dbraw/zinc/28/28/92/1194282892.db2.gz VHQZQJLSLRDWGC-QMMMGPOBSA-N 0 0 324.739 3.079 20 10 DGCDRN Cc1ccc(-c2ccc(C(=O)NCc3ccccc3O)cc2)nn1 ZINC001630362914 1194282986 /nfs/dbraw/zinc/28/29/86/1194282986.db2.gz BOMBLGGBFGIXRN-UHFFFAOYSA-N 0 0 319.364 3.088 20 10 DGCDRN Cc1ccc(C(=O)Nc2nc3c(s2)CCC3(C)C)c(O)c1O ZINC001630387751 1194283450 /nfs/dbraw/zinc/28/34/50/1194283450.db2.gz ZIKZELDBMIWEDX-UHFFFAOYSA-N 0 0 318.398 3.339 20 10 DGCDRN Cc1cc(CC(=O)N2CCCO2)c(C)n1-c1ccc(Cl)cc1 ZINC001631328945 1194329613 /nfs/dbraw/zinc/32/96/13/1194329613.db2.gz SBDLGJVMYWCOLW-UHFFFAOYSA-N 0 0 318.804 3.454 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc3ncccc3o2)c1 ZINC001631541936 1194341204 /nfs/dbraw/zinc/34/12/04/1194341204.db2.gz CKHLYYYZXJAMAX-JTQLQIEISA-N 0 0 312.325 3.033 20 10 DGCDRN C[C@H](Oc1ccccc1F)C(=O)NCc1cc(Cl)ccc1O ZINC001632224216 1194377963 /nfs/dbraw/zinc/37/79/63/1194377963.db2.gz WYEFVMJQTNEXJZ-JTQLQIEISA-N 0 0 323.751 3.268 20 10 DGCDRN C[C@H](NC(=O)C1=NO[C@@H](c2ccccc2)C1)c1ccccc1O ZINC001632250622 1194379109 /nfs/dbraw/zinc/37/91/09/1194379109.db2.gz YRJWYTXQBFZFNS-YVEFUNNKSA-N 0 0 310.353 3.087 20 10 DGCDRN O=C(c1cnc(-c2ccco2)s1)N1Cc2cccc(O)c2C1 ZINC001632709390 1194402930 /nfs/dbraw/zinc/40/29/30/1194402930.db2.gz VTKMWAFCILCGIV-UHFFFAOYSA-N 0 0 312.350 3.265 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cnn(-c3ccccc3C)c2)c1 ZINC001633283121 1194430113 /nfs/dbraw/zinc/43/01/13/1194430113.db2.gz VALWJHUIJITLAA-UHFFFAOYSA-N 0 0 321.380 3.125 20 10 DGCDRN CCC(CC)[C@@H](CCNC(=O)NCc1cc(C)ccc1O)OC ZINC001633429727 1194436841 /nfs/dbraw/zinc/43/68/41/1194436841.db2.gz HLQNSNKPNZRTER-QGZVFWFLSA-N 0 0 322.449 3.341 20 10 DGCDRN CCC(CC)[C@H](CCNC(=O)NCc1cc(C)ccc1O)OC ZINC001633429726 1194436972 /nfs/dbraw/zinc/43/69/72/1194436972.db2.gz HLQNSNKPNZRTER-KRWDZBQOSA-N 0 0 322.449 3.341 20 10 DGCDRN Cc1nc2ccccc2c(C)c1C(=O)NCc1cccc(O)c1O ZINC001633515558 1194440349 /nfs/dbraw/zinc/44/03/49/1194440349.db2.gz GHKQBFXLGWUOKI-UHFFFAOYSA-N 0 0 322.364 3.193 20 10 DGCDRN O=C(CCc1ccc(Cl)cc1)NCc1cc(O)ccc1O ZINC001633594851 1194444681 /nfs/dbraw/zinc/44/46/81/1194444681.db2.gz AQBMEVKHDWGBNH-UHFFFAOYSA-N 0 0 305.761 3.000 20 10 DGCDRN C[C@H](C(=O)NCc1cc(O)ccc1O)c1ccc(Cl)cc1 ZINC001633598894 1194445031 /nfs/dbraw/zinc/44/50/31/1194445031.db2.gz GONGDVYWJXMXNW-JTQLQIEISA-N 0 0 305.761 3.171 20 10 DGCDRN CC1(C)CCC[C@@H]1CCNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001633668019 1194449260 /nfs/dbraw/zinc/44/92/60/1194449260.db2.gz WAFOADHMMLTYOH-IQCBXXCUSA-N 0 0 303.402 3.444 20 10 DGCDRN Cc1scc(CNC(=O)c2ccc(N=NC(N)=O)cc2)c1C ZINC001635305531 1194543769 /nfs/dbraw/zinc/54/37/69/1194543769.db2.gz RLKSNJNFBIJCDA-UHFFFAOYSA-N 0 0 316.386 3.457 20 10 DGCDRN Cc1noc(-c2ccccc2C(=O)N[C@@H](C)c2ccccc2O)n1 ZINC001635799336 1194572503 /nfs/dbraw/zinc/57/25/03/1194572503.db2.gz ZKHGNTYYQVZWSF-NSHDSACASA-N 0 0 323.352 3.242 20 10 DGCDRN C[C@H](NC(=O)Cc1cc(F)c(F)cc1F)c1ccccc1O ZINC001635804012 1194573457 /nfs/dbraw/zinc/57/34/57/1194573457.db2.gz NAYTUTFMRJXKPK-VIFPVBQESA-N 0 0 309.287 3.229 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)C1CCSCC1 ZINC001635965055 1194581989 /nfs/dbraw/zinc/58/19/89/1194581989.db2.gz KCPJPRWEDIJHOT-UHFFFAOYSA-N 0 0 301.411 3.305 20 10 DGCDRN COCCC[C@H](C)C(=O)NCc1c(O)ccc2ccccc21 ZINC001635965042 1194582210 /nfs/dbraw/zinc/58/22/10/1194582210.db2.gz JUWITYBTBSWZKE-ZDUSSCGKSA-N 0 0 301.386 3.224 20 10 DGCDRN O=C(Cc1cccc(C(F)(F)F)c1)N1Cc2cccc(O)c2C1 ZINC001636225865 1194601475 /nfs/dbraw/zinc/60/14/75/1194601475.db2.gz XHXAQLXWXORFFI-UHFFFAOYSA-N 0 0 321.298 3.496 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@H](C)C[C@@H]1C ZINC001636263936 1194602616 /nfs/dbraw/zinc/60/26/16/1194602616.db2.gz VVNJWKJFQGEOSH-KBMXLJTQSA-N 0 0 317.477 3.432 20 10 DGCDRN C[C@@H](CC(=O)NCc1cccc(O)c1O)c1c[nH]c2ccccc21 ZINC001637046557 1194647670 /nfs/dbraw/zinc/64/76/70/1194647670.db2.gz SELIWOWYCHCMPS-LBPRGKRZSA-N 0 0 324.380 3.389 20 10 DGCDRN COc1nccc2cc(NC(=O)c3ccc(C)c(O)c3O)ccc21 ZINC001637072529 1194648328 /nfs/dbraw/zinc/64/83/28/1194648328.db2.gz VTVVESQCRBFHGL-UHFFFAOYSA-N 0 0 324.336 3.215 20 10 DGCDRN O=C(NCc1csc2ccccc12)c1c(F)ccc(O)c1O ZINC001638163526 1194705050 /nfs/dbraw/zinc/70/50/50/1194705050.db2.gz XZFOWNSMGVEVKY-UHFFFAOYSA-N 0 0 317.341 3.382 20 10 DGCDRN O=C(Cc1cccc2ccccc21)NCc1ccc(O)cc1O ZINC001638351899 1194713374 /nfs/dbraw/zinc/71/33/74/1194713374.db2.gz HOTXMYILXSHFFM-UHFFFAOYSA-N 0 0 307.349 3.110 20 10 DGCDRN Cc1cc2ccccc2nc1C(=O)NCc1c(O)cccc1F ZINC001638866750 1194741800 /nfs/dbraw/zinc/74/18/00/1194741800.db2.gz LVIFTQMFJIDCNM-UHFFFAOYSA-N 0 0 310.328 3.318 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC(c2ccsc2)CC1 ZINC001638898466 1194742867 /nfs/dbraw/zinc/74/28/67/1194742867.db2.gz HICIATOJCLLUNP-UHFFFAOYSA-N 0 0 317.410 3.108 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cnc(C2CC2)o1 ZINC001639387480 1194762820 /nfs/dbraw/zinc/76/28/20/1194762820.db2.gz LKEKNSWJTAVHRY-UHFFFAOYSA-N 0 0 308.337 3.341 20 10 DGCDRN O=C(/C=C\c1cccc(F)c1)NCc1ccc2cccnc2c1O ZINC001639624687 1194774190 /nfs/dbraw/zinc/77/41/90/1194774190.db2.gz GBJVCPSENADIEQ-TWGQIWQCSA-N 0 0 322.339 3.409 20 10 DGCDRN CCC/C(C)=C\C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001639814271 1194783219 /nfs/dbraw/zinc/78/32/19/1194783219.db2.gz QZBSHAPDRWOWGL-PFONDFGASA-N 0 0 304.434 3.336 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2ccnn2C2CCC2)cc1 ZINC001640137845 1194798450 /nfs/dbraw/zinc/79/84/50/1194798450.db2.gz VOQLYRACVVWWKQ-UHFFFAOYSA-N 0 0 312.333 3.023 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1CC[C@@H]1C ZINC001640279439 1194805220 /nfs/dbraw/zinc/80/52/20/1194805220.db2.gz XHVKGJKJTMFMIX-SJCJKPOMSA-N 0 0 310.397 3.435 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1cc([N+](=O)[O-])ccc1F ZINC001640404439 1194811688 /nfs/dbraw/zinc/81/16/88/1194811688.db2.gz AACVBALPVHPIAW-UHFFFAOYSA-N 0 0 324.695 3.023 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCC=C(c3ccco3)C2)cc1 ZINC001640456950 1194814284 /nfs/dbraw/zinc/81/42/84/1194814284.db2.gz KSFCHTHZFLUKGH-UHFFFAOYSA-N 0 0 324.340 3.372 20 10 DGCDRN CC1(C)C[C@]1(NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001641299371 1194847589 /nfs/dbraw/zinc/84/75/89/1194847589.db2.gz LCXWWLYRJWBQRI-IBGZPJMESA-N 0 0 311.381 3.082 20 10 DGCDRN CCCCOC(=O)[C@H](C)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001641554057 1194859993 /nfs/dbraw/zinc/85/99/93/1194859993.db2.gz BTPYIZCAJZTYAL-HNNXBMFYSA-N 0 0 318.461 3.449 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001641881764 1194877319 /nfs/dbraw/zinc/87/73/19/1194877319.db2.gz VPDQWGBOMCZJET-UHFFFAOYSA-N 0 0 324.695 3.023 20 10 DGCDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C1=CC(=O)CS1 ZINC001641968367 1194881864 /nfs/dbraw/zinc/88/18/64/1194881864.db2.gz BTAGPZFGZFRLCC-UHFFFAOYSA-N 0 0 308.315 3.013 20 10 DGCDRN CN(C(=O)/C=C\c1ccc(O)c(O)c1)c1cccc2cc[nH]c21 ZINC001642383396 1194906966 /nfs/dbraw/zinc/90/69/66/1194906966.db2.gz QPIPCZMRVWFNMD-VURMDHGXSA-N 0 0 308.337 3.255 20 10 DGCDRN Cc1ccc(CNC(=O)c2cc3cc(O)c(O)cc3s2)o1 ZINC001642565948 1194920067 /nfs/dbraw/zinc/92/00/67/1194920067.db2.gz VVADIEWAAGEMQW-UHFFFAOYSA-N 0 0 303.339 3.144 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2CCc1c(F)cccc1F ZINC001642566920 1194920387 /nfs/dbraw/zinc/92/03/87/1194920387.db2.gz DYUFDTMJOWVOKQ-UHFFFAOYSA-N 0 0 318.367 3.472 20 10 DGCDRN Cc1c[nH]c(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)n1 ZINC001642606893 1194923224 /nfs/dbraw/zinc/92/32/24/1194923224.db2.gz KOMAENIAARPXEM-UHFFFAOYSA-N 0 0 308.385 3.056 20 10 DGCDRN C[C@@H](NC(=O)Cc1ccccc1OC(F)F)c1ccccc1O ZINC001642824361 1194943898 /nfs/dbraw/zinc/94/38/98/1194943898.db2.gz RRMKOFQMLCELAY-LLVKDONJSA-N 0 0 321.323 3.414 20 10 DGCDRN C[C@H](NC(=O)c1cccc(C(F)(F)F)n1)c1ccccc1O ZINC001642831118 1194944173 /nfs/dbraw/zinc/94/41/73/1194944173.db2.gz PZHRUHAVZYBNIV-VIFPVBQESA-N 0 0 310.275 3.297 20 10 DGCDRN Cc1cc(CNc2ccncc2[N+](=O)[O-])c(C)n1-c1ccccc1 ZINC001643040030 1194962792 /nfs/dbraw/zinc/96/27/92/1194962792.db2.gz FDCNLTMAYPPTMZ-UHFFFAOYSA-N 0 0 322.368 3.431 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1ccc(F)c(C(F)F)c1 ZINC001643103945 1194995798 /nfs/dbraw/zinc/99/57/98/1194995798.db2.gz JVTOGAXXVKNOHE-UHFFFAOYSA-N 0 0 311.259 3.105 20 10 DGCDRN O=C(/C=C/c1ccccc1)NCc1ccc2cccnc2c1O ZINC001643284563 1195009997 /nfs/dbraw/zinc/00/99/97/1195009997.db2.gz GXMPTVPUKVYVDB-DHZHZOJOSA-N 0 0 304.349 3.270 20 10 DGCDRN C[C@@H](NC(=O)c1cc2c(c(Cl)c1)OCO2)c1ccccc1O ZINC001643738551 1195050690 /nfs/dbraw/zinc/05/06/90/1195050690.db2.gz GLXZBXDZNKVRSP-SECBINFHSA-N 0 0 319.744 3.265 20 10 DGCDRN COc1cccc2[nH]cc(CC(=O)N[C@@H](C)c3ccccc3O)c21 ZINC001643745833 1195051380 /nfs/dbraw/zinc/05/13/80/1195051380.db2.gz ZZUKELCUUJOEIW-LBPRGKRZSA-N 0 0 324.380 3.302 20 10 DGCDRN C[C@H](Cc1cccc(Cl)c1)C(=O)NCc1cccc(O)c1O ZINC001643813007 1195056473 /nfs/dbraw/zinc/05/64/73/1195056473.db2.gz VYTONESDSPXDSS-LLVKDONJSA-N 0 0 319.788 3.246 20 10 DGCDRN C[C@H](Cn1ccc2ccccc21)C(=O)NCc1cc(O)ccc1O ZINC001643882314 1195060106 /nfs/dbraw/zinc/06/01/06/1195060106.db2.gz SSWQGBVIVKMYEH-CYBMUJFWSA-N 0 0 324.380 3.005 20 10 DGCDRN CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NCc1cc(O)ccc1O ZINC001643882186 1195060701 /nfs/dbraw/zinc/06/07/01/1195060701.db2.gz PVAYOMBIWUOXHI-MJEQTWJJSA-N 0 0 321.417 3.088 20 10 DGCDRN Cc1cc(C(=O)Cn2ccnn2)c(C)n1-c1cc(C)cc(C)c1 ZINC001643917700 1195063867 /nfs/dbraw/zinc/06/38/67/1195063867.db2.gz OYPHRAIOYFYUBI-UHFFFAOYSA-N 0 0 308.385 3.185 20 10 DGCDRN CCc1c[nH]c(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)n1 ZINC001644711768 1195128588 /nfs/dbraw/zinc/12/85/88/1195128588.db2.gz DRNUVVQMFAMJJP-UHFFFAOYSA-N 0 0 322.412 3.310 20 10 DGCDRN O=C(NCc1c(O)cccc1O)C1(c2ccc(Cl)cc2)CC1 ZINC001645361047 1195178116 /nfs/dbraw/zinc/17/81/16/1195178116.db2.gz UVGFWLWSBWJPKH-UHFFFAOYSA-N 0 0 317.772 3.099 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2csc(-c3ccoc3)n2)c1 ZINC001645800782 1195201630 /nfs/dbraw/zinc/20/16/30/1195201630.db2.gz SOFFYNBKUMTIGX-UHFFFAOYSA-N 0 0 314.366 3.347 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cc3ccccc3cc2O)c1 ZINC001645800595 1195201666 /nfs/dbraw/zinc/20/16/66/1195201666.db2.gz LSTFFDUWHGDESM-UHFFFAOYSA-N 0 0 307.349 3.489 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2csc(-c3ccco3)n2)c1 ZINC001645801013 1195201864 /nfs/dbraw/zinc/20/18/64/1195201864.db2.gz ZLZVDHHETPRTLL-UHFFFAOYSA-N 0 0 314.366 3.347 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccc3ccccc3c2O)c1 ZINC001645800854 1195202258 /nfs/dbraw/zinc/20/22/58/1195202258.db2.gz WQFYVLVFMKIBJI-UHFFFAOYSA-N 0 0 307.349 3.489 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1ccc(F)c(Cl)c1F ZINC001646034543 1195211280 /nfs/dbraw/zinc/21/12/80/1195211280.db2.gz LUWVZYLFZNOKMG-UHFFFAOYSA-N 0 0 315.678 3.393 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1ccc(Br)cc1 ZINC001646028341 1195211663 /nfs/dbraw/zinc/21/16/63/1195211663.db2.gz GDCZEURMYLEFPV-UHFFFAOYSA-N 0 0 324.149 3.224 20 10 DGCDRN COc1cc2c(c(OC)c1)N(C[C@@H](OC)C1CCC1)CCC2 ZINC001646203354 1195216758 /nfs/dbraw/zinc/21/67/58/1195216758.db2.gz GMMAVEUPVGKEPW-QGZVFWFLSA-N 0 0 305.418 3.272 20 10 DGCDRN CSCc1cccc(CNC(=O)c2c(F)ccc(O)c2O)c1 ZINC001648725115 1195325118 /nfs/dbraw/zinc/32/51/18/1195325118.db2.gz LHSDSLWPNSWSOU-UHFFFAOYSA-N 0 0 321.373 3.030 20 10 DGCDRN CC(C)[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])N1CCCC1 ZINC001648766051 1195329409 /nfs/dbraw/zinc/32/94/09/1195329409.db2.gz YDHSBWXTTNRZED-OAHLLOKOSA-N 0 0 314.832 3.395 20 10 DGCDRN CC(C)[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])N1CCCC1 ZINC001648766045 1195329452 /nfs/dbraw/zinc/32/94/52/1195329452.db2.gz YDHSBWXTTNRZED-HNNXBMFYSA-N 0 0 314.832 3.395 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NCc2cccc3[nH]ccc32)cc1 ZINC001650818597 1195385892 /nfs/dbraw/zinc/38/58/92/1195385892.db2.gz CXGUQQQLOWKNQF-UHFFFAOYSA-N 0 0 321.340 3.260 20 10 DGCDRN CN(CCc1ccc(Cl)cc1)C(=O)c1c(F)ccc(O)c1O ZINC001650914634 1195394699 /nfs/dbraw/zinc/39/46/99/1195394699.db2.gz AVJHVQVHNBBMPW-UHFFFAOYSA-N 0 0 323.751 3.205 20 10 DGCDRN COC(=O)c1cnc(Sc2ccncc2C(F)(F)F)s1 ZINC001651096486 1195413962 /nfs/dbraw/zinc/41/39/62/1195413962.db2.gz WOJXUJQBVFCZOD-UHFFFAOYSA-N 0 0 320.317 3.495 20 10 DGCDRN O=C(N[C@H]1CCc2ccc(Cl)cc21)c1c(F)ccc(O)c1O ZINC001651177173 1195423577 /nfs/dbraw/zinc/42/35/77/1195423577.db2.gz MRXCKQVGWGDIHK-LBPRGKRZSA-N 0 0 321.735 3.308 20 10 DGCDRN Cc1nc2ccccc2c(C)c1C(=O)NCc1cc(O)ccc1O ZINC001651225355 1195429285 /nfs/dbraw/zinc/42/92/85/1195429285.db2.gz GQBJHUKSCNHLGB-UHFFFAOYSA-N 0 0 322.364 3.193 20 10 DGCDRN Cc1cn(C)nc1CNCc1cc(C)n(-c2ccccc2)c1C ZINC001651417834 1195458415 /nfs/dbraw/zinc/45/84/15/1195458415.db2.gz NWHIEOHYTPMSGC-UHFFFAOYSA-N 0 0 308.429 3.426 20 10 DGCDRN CN1Cc2ccccc2[C@@H]1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001651443284 1195462940 /nfs/dbraw/zinc/46/29/40/1195462940.db2.gz YCTCUJYUFZNPEN-HNNXBMFYSA-N 0 0 320.795 3.461 20 10 DGCDRN COc1nsc(CN(C)c2ccc3c(c2)OCO3)c1Cl ZINC001652163797 1195556395 /nfs/dbraw/zinc/55/63/95/1195556395.db2.gz GKCICBRRVQUCTB-UHFFFAOYSA-N 0 0 312.778 3.170 20 10 DGCDRN Cc1ccc(C(=O)Nc2cccc(-c3ccon3)c2)c(O)c1O ZINC001652525106 1195611496 /nfs/dbraw/zinc/61/14/96/1195611496.db2.gz UAAVGZXGHAUOQY-UHFFFAOYSA-N 0 0 310.309 3.314 20 10 DGCDRN COC(=O)c1ccc([N+](=O)[O-])c(CSc2nccs2)c1 ZINC001652615702 1195626157 /nfs/dbraw/zinc/62/61/57/1195626157.db2.gz BYVOVBNREFQYSZ-UHFFFAOYSA-N 0 0 310.356 3.130 20 10 DGCDRN CCn1cc(C[N@H+](Cc2cc(F)c(F)cc2[O-])C(C)C)cn1 ZINC001652761772 1195649740 /nfs/dbraw/zinc/64/97/40/1195649740.db2.gz KKPPCHQBROGCFV-UHFFFAOYSA-N 0 0 309.360 3.297 20 10 DGCDRN Oc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](OCc2ccccn2)C1 ZINC001652878985 1195665437 /nfs/dbraw/zinc/66/54/37/1195665437.db2.gz YPAFKYLJVBNJGB-MRXNPFEDSA-N 0 0 318.804 3.232 20 10 DGCDRN COc1cc(C)c(CNc2cccc(OC)c2OC)c(O)c1 ZINC001653100289 1195688211 /nfs/dbraw/zinc/68/82/11/1195688211.db2.gz KQGJDGSDMLTTEN-UHFFFAOYSA-N 0 0 303.358 3.339 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccc(F)cc1 ZINC001653196652 1195698183 /nfs/dbraw/zinc/69/81/83/1195698183.db2.gz YFLPGWWUSIVVGS-SNVBAGLBSA-N 0 0 314.320 3.479 20 10 DGCDRN COc1ccc(N(Cc2cnon2)Cc2ccco2)cc1F ZINC001653580853 1195736463 /nfs/dbraw/zinc/73/64/63/1195736463.db2.gz DKBUIZBJOSHFSB-UHFFFAOYSA-N 0 0 303.293 3.017 20 10 DGCDRN O=C(N[C@H]1CCCc2c(F)cccc21)c1c(F)ccc(O)c1O ZINC001654618643 1195824084 /nfs/dbraw/zinc/82/40/84/1195824084.db2.gz HOCIGWHZZJGWQS-ZDUSSCGKSA-N 0 0 319.307 3.183 20 10 DGCDRN CCOc1ccc(N2CCN(c3nc(CC)cs3)CC2)cc1 ZINC001655335377 1195904678 /nfs/dbraw/zinc/90/46/78/1195904678.db2.gz BYDYMVJFXJASPX-UHFFFAOYSA-N 0 0 317.458 3.431 20 10 DGCDRN CCOc1ccc(N(CC2CC2)C[C@H]2CN(CC)C(=O)O2)cc1 ZINC001655333243 1195904940 /nfs/dbraw/zinc/90/49/40/1195904940.db2.gz JQXUPTVXLVOCEX-QGZVFWFLSA-N 0 0 318.417 3.142 20 10 DGCDRN C[C@@H](N[C@H](C)c1ccccc1O)c1nc(-c2cccnc2)no1 ZINC001655349802 1195906766 /nfs/dbraw/zinc/90/67/66/1195906766.db2.gz TUGPMXJSURWFLU-VXGBXAGGSA-N 0 0 310.357 3.249 20 10 DGCDRN CC(=O)N1CCc2cc(NCc3cc(F)cc(F)c3O)ccc21 ZINC001655356135 1195907097 /nfs/dbraw/zinc/90/70/97/1195907097.db2.gz LKWCFELXWQOWER-UHFFFAOYSA-N 0 0 318.323 3.192 20 10 DGCDRN COC(=O)c1cnc(Sc2ccc(C(F)(F)F)cn2)s1 ZINC001655509690 1195926086 /nfs/dbraw/zinc/92/60/86/1195926086.db2.gz ROJWORAQDOCFHZ-UHFFFAOYSA-N 0 0 320.317 3.495 20 10 DGCDRN Cc1cn(C)nc1CNCc1ccc(N2CCC(C)CC2)cc1 ZINC001656385319 1196034989 /nfs/dbraw/zinc/03/49/89/1196034989.db2.gz LQKLWDGSEKNGPL-UHFFFAOYSA-N 0 0 312.461 3.255 20 10 DGCDRN CC[C@H](NCc1ccc2c(c1)CCCO2)C(=O)OC(C)(C)C ZINC001656503840 1196045406 /nfs/dbraw/zinc/04/54/06/1196045406.db2.gz FYNIRRPVXMMEOW-HNNXBMFYSA-N 0 0 305.418 3.222 20 10 DGCDRN O=c1[nH]ccc2cc(NCc3c(O)cccc3Cl)ccc21 ZINC001656600636 1196053284 /nfs/dbraw/zinc/05/32/84/1196053284.db2.gz GLKSFICZSQUNED-UHFFFAOYSA-N 0 0 300.745 3.499 20 10 DGCDRN CC(C)[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1cccnc1 ZINC001656677305 1196060648 /nfs/dbraw/zinc/06/06/48/1196060648.db2.gz XWOKLZIDIYOQRZ-INIZCTEOSA-N 0 0 315.373 3.225 20 10 DGCDRN C[C@]1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCCC[C@H]1O ZINC001656689457 1196062168 /nfs/dbraw/zinc/06/21/68/1196062168.db2.gz XXVBZULUKQCWEL-UKRRQHHQSA-N 0 0 301.789 3.216 20 10 DGCDRN CN(C)c1ccc(/C=C/CNc2ccc3oc(=O)n(C)c3c2)cc1 ZINC001656784904 1196070831 /nfs/dbraw/zinc/07/08/31/1196070831.db2.gz DENYAISMANPLDO-SNAWJCMRSA-N 0 0 323.396 3.323 20 10 DGCDRN CN(C)c1ccc(/C=C/CNc2ccc3c(c2)OCC(=O)N3)cc1 ZINC001656871816 1196077097 /nfs/dbraw/zinc/07/70/97/1196077097.db2.gz MEOGMPIZYBIHHC-ONEGZZNKSA-N 0 0 323.396 3.209 20 10 DGCDRN CC1(C)CO[C@@H](CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001656960822 1196087409 /nfs/dbraw/zinc/08/74/09/1196087409.db2.gz VRIWYKNAHDOWKV-LBPRGKRZSA-N 0 0 301.789 3.480 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1COc2ccccc2C1 ZINC001657172161 1196114802 /nfs/dbraw/zinc/11/48/02/1196114802.db2.gz FYVFWRCRZCMPFF-CYBMUJFWSA-N 0 0 307.752 3.278 20 10 DGCDRN COc1nsc(CN2CCc3cc(OC)ccc32)c1Cl ZINC001657516793 1196150434 /nfs/dbraw/zinc/15/04/34/1196150434.db2.gz LZFLVGFXIJZJFT-UHFFFAOYSA-N 0 0 310.806 3.376 20 10 DGCDRN CCc1nnc([C@@H](C)NCc2ccc(N(CC)CC)c(F)c2)[nH]1 ZINC001657710100 1196171419 /nfs/dbraw/zinc/17/14/19/1196171419.db2.gz JAVXOUBLZUBEFY-GFCCVEGCSA-N 0 0 319.428 3.203 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC001657898231 1196191206 /nfs/dbraw/zinc/19/12/06/1196191206.db2.gz ZZKLFBNEHAHOAZ-CYBMUJFWSA-N 0 0 305.324 3.154 20 10 DGCDRN CN(C)c1ccc(/C=C/CNc2cccc3c2CNC3=O)cc1 ZINC001657921306 1196194252 /nfs/dbraw/zinc/19/42/52/1196194252.db2.gz HIOKMKUHOCHYOX-SNAWJCMRSA-N 0 0 307.397 3.121 20 10 DGCDRN Oc1c(F)cc(F)cc1CNc1cc(Br)ccn1 ZINC001657966117 1196197121 /nfs/dbraw/zinc/19/71/21/1196197121.db2.gz ZWEFKHGOGYCINQ-UHFFFAOYSA-N 0 0 315.117 3.440 20 10 DGCDRN Cc1ccc(CN(CC[NH+](C)C)Cc2ccc(F)c(F)c2[O-])o1 ZINC001657999345 1196200972 /nfs/dbraw/zinc/20/09/72/1196200972.db2.gz DMBOTNDGMSOWRW-UHFFFAOYSA-N 0 0 324.371 3.136 20 10 DGCDRN O=C1NCCc2c(NCc3cc(Cl)cc(F)c3O)cccc21 ZINC001658122389 1196214221 /nfs/dbraw/zinc/21/42/21/1196214221.db2.gz DDXIZBPHWLEIMJ-UHFFFAOYSA-N 0 0 320.751 3.083 20 10 DGCDRN Cc1nc2ccc(NCc3c(O)ccc(Cl)c3F)cn2n1 ZINC001658174844 1196221516 /nfs/dbraw/zinc/22/15/16/1196221516.db2.gz LPFJVIVWAJCSJA-UHFFFAOYSA-N 0 0 306.728 3.148 20 10 DGCDRN Oc1ccc(F)cc1CN1CCN(c2c(F)cccc2F)CC1 ZINC001658422398 1196253699 /nfs/dbraw/zinc/25/36/99/1196253699.db2.gz BAPFSGGIMBUUAT-UHFFFAOYSA-N 0 0 322.330 3.132 20 10 DGCDRN COc1cc(C)cc(CNc2ccc(-n3nncc3C)cc2)c1O ZINC001658424100 1196254286 /nfs/dbraw/zinc/25/42/86/1196254286.db2.gz YBNWCTFPPPYBFE-UHFFFAOYSA-N 0 0 324.384 3.210 20 10 DGCDRN COC(=O)[C@@H](c1ccccc1)N(C)Cc1cc(F)c(F)cc1O ZINC001658512997 1196266946 /nfs/dbraw/zinc/26/69/46/1196266946.db2.gz CRBGCORBJQCIFJ-MRXNPFEDSA-N 0 0 321.323 3.017 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC001658572556 1196274702 /nfs/dbraw/zinc/27/47/02/1196274702.db2.gz YXAGDIHVGCDMIZ-KRWDZBQOSA-N 0 0 311.372 3.452 20 10 DGCDRN CCN(Cc1ccccc1)c1ccc(CNc2c[nH]nn2)cc1 ZINC001658729140 1196293200 /nfs/dbraw/zinc/29/32/00/1196293200.db2.gz QVRCQUDNRRBHJE-UHFFFAOYSA-N 0 0 307.401 3.443 20 10 DGCDRN Oc1cccc2c1CN(Cc1ccc3c(c1)OC(F)(F)O3)C2 ZINC001658768142 1196298334 /nfs/dbraw/zinc/29/83/34/1196298334.db2.gz AXOYFHZBQIVNEN-UHFFFAOYSA-N 0 0 305.280 3.230 20 10 DGCDRN Oc1c(F)cc(Cl)cc1CNc1cn(-c2ccccc2)nn1 ZINC001658790319 1196301666 /nfs/dbraw/zinc/30/16/66/1196301666.db2.gz NPSGQKUNYVFKIW-UHFFFAOYSA-N 0 0 318.739 3.378 20 10 DGCDRN CC(C)[C@@H]1C[C@H]1[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC001658796899 1196302953 /nfs/dbraw/zinc/30/29/53/1196302953.db2.gz KOHIIEZMFJEWKK-CMPLNLGQSA-N 0 0 302.187 3.428 20 10 DGCDRN CN(Cc1cc(=O)c(O)co1)c1ccc(-c2nccs2)cc1 ZINC001658928316 1196321606 /nfs/dbraw/zinc/32/16/06/1196321606.db2.gz RZZDMXCFXKNNKU-UHFFFAOYSA-N 0 0 314.366 3.105 20 10 DGCDRN CCOC(=O)CN(CCC1CCCC1)Cc1ccccc1O ZINC001659100306 1196344554 /nfs/dbraw/zinc/34/45/54/1196344554.db2.gz DEKGAZRBNYTRMX-UHFFFAOYSA-N 0 0 305.418 3.338 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC001659383430 1196377943 /nfs/dbraw/zinc/37/79/43/1196377943.db2.gz UCVDAKSZBURNSL-UHFFFAOYSA-N 0 0 309.369 3.230 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(F)c(F)cc1[O-])[C@](C)(O)c1ccccc1 ZINC001659577632 1196397114 /nfs/dbraw/zinc/39/71/14/1196397114.db2.gz HFPHYUFGKFUVCI-DIFFPNOSSA-N 0 0 307.340 3.056 20 10 DGCDRN Cc1ccc(C[NH2+]CC2(C(=O)OC(C)(C)C)CCC2)c(O)c1 ZINC001659739708 1196409788 /nfs/dbraw/zinc/40/97/88/1196409788.db2.gz QKFYOBXUJJBJNC-UHFFFAOYSA-N 0 0 305.418 3.302 20 10 DGCDRN C[C@@H]1CN(Cc2cccc(F)c2O)c2ccccc2NC1=O ZINC001659776749 1196414344 /nfs/dbraw/zinc/41/43/44/1196414344.db2.gz CPJHBBSHSSJRSN-LLVKDONJSA-N 0 0 300.333 3.126 20 10 DGCDRN CO[C@](C)(C[NH2+]Cc1cc(F)c(F)cc1[O-])c1ccccc1 ZINC001659827014 1196418642 /nfs/dbraw/zinc/41/86/42/1196418642.db2.gz OBFVEZROLLCIHL-QGZVFWFLSA-N 0 0 307.340 3.322 20 10 DGCDRN C[N@@H+](Cc1cc(F)cc(F)c1[O-])C[C@H]1OCCc2ccccc21 ZINC001659831374 1196419531 /nfs/dbraw/zinc/41/95/31/1196419531.db2.gz ZRGXQAGSGHHJOW-QGZVFWFLSA-N 0 0 319.351 3.416 20 10 DGCDRN CC(C)[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])C1(CO)CCCC1 ZINC001659969857 1196433814 /nfs/dbraw/zinc/43/38/14/1196433814.db2.gz CPMWZSFRTGYRSG-MRXNPFEDSA-N 0 0 313.388 3.337 20 10 DGCDRN [O-]c1cccc(F)c1C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC001660046900 1196439956 /nfs/dbraw/zinc/43/99/56/1196439956.db2.gz AZJBYWFQORFDAJ-MRXNPFEDSA-N 0 0 314.404 3.286 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC001660090976 1196443872 /nfs/dbraw/zinc/44/38/72/1196443872.db2.gz WDXVNHVUFMLBGT-KRWDZBQOSA-N 0 0 323.383 3.452 20 10 DGCDRN CCOC(OCC)[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC001660274749 1196465093 /nfs/dbraw/zinc/46/50/93/1196465093.db2.gz DABWZNFFMQEOJX-SECBINFHSA-N 0 0 305.777 3.062 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H](CO)c1cc(F)ccc1F ZINC001660897364 1196539988 /nfs/dbraw/zinc/53/99/88/1196539988.db2.gz AYODRQYDKQCPNI-CQSZACIVSA-N 0 0 313.731 3.147 20 10 DGCDRN O=C1OCCN1c1cccc(NCc2cc(F)cc(F)c2O)c1 ZINC001661044665 1196557052 /nfs/dbraw/zinc/55/70/52/1196557052.db2.gz KUVAJGPMQYSPBS-UHFFFAOYSA-N 0 0 320.295 3.239 20 10 DGCDRN Oc1cccc(Br)c1CNc1cnn2ccccc12 ZINC001662965604 1196777995 /nfs/dbraw/zinc/77/79/95/1196777995.db2.gz DYZBQBAXGDTBFA-UHFFFAOYSA-N 0 0 318.174 3.415 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC001663259719 1196820772 /nfs/dbraw/zinc/82/07/72/1196820772.db2.gz RHUBIEANIGGLLR-SNVBAGLBSA-N 0 0 317.301 3.059 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1c(F)cccc1F ZINC001663314720 1196833175 /nfs/dbraw/zinc/83/31/75/1196833175.db2.gz AQTYQBYLTKWMRK-SECBINFHSA-N 0 0 308.284 3.429 20 10 DGCDRN Cc1c[nH]c(=O)c(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])c1 ZINC001663404162 1196859903 /nfs/dbraw/zinc/85/99/03/1196859903.db2.gz CJCVMKDRVLGGBN-UHFFFAOYSA-N 0 0 313.184 3.398 20 10 DGCDRN O=c1[nH]ccc2oc(C[NH2+]Cc3cccc(Cl)c3[O-])cc21 ZINC001663441611 1196868464 /nfs/dbraw/zinc/86/84/64/1196868464.db2.gz ALCAMPOAIRFJJE-UHFFFAOYSA-N 0 0 304.733 3.182 20 10 DGCDRN CCOC(=O)C[N@@H+](Cc1ccc(N(C)C)cc1C)CC(C)C ZINC001663549597 1196901562 /nfs/dbraw/zinc/90/15/62/1196901562.db2.gz GAHABRXKVYXEQM-UHFFFAOYSA-N 0 0 306.450 3.082 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC001663662271 1196924316 /nfs/dbraw/zinc/92/43/16/1196924316.db2.gz JMSCWYLJYPLKSW-UHFFFAOYSA-N 0 0 318.367 3.383 20 10 DGCDRN COC(=O)[C@@H](c1ccccc1)N(C)Cc1ccc(Cl)cc1O ZINC001663915922 1196957577 /nfs/dbraw/zinc/95/75/77/1196957577.db2.gz GFSRXSSEUUMWMI-MRXNPFEDSA-N 0 0 319.788 3.392 20 10 DGCDRN C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(F)c(F)c1[O-] ZINC001664430229 1196998608 /nfs/dbraw/zinc/99/86/08/1196998608.db2.gz ODEKEMZDIVTULB-UHFFFAOYSA-N 0 0 322.311 3.253 20 10 DGCDRN CC(C)([NH2+]Cc1ccc(F)c(F)c1[O-])C(=O)Nc1ccccc1 ZINC001665350840 1197126272 /nfs/dbraw/zinc/12/62/72/1197126272.db2.gz VPPLTRAPGPUAND-UHFFFAOYSA-N 0 0 320.339 3.177 20 10 DGCDRN COc1ccc(F)cc1CC[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001665655983 1197165655 /nfs/dbraw/zinc/16/56/55/1197165655.db2.gz DPHRFHTUOWBRBI-UHFFFAOYSA-N 0 0 311.303 3.150 20 10 DGCDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001687605765 1197324296 /nfs/dbraw/zinc/32/42/96/1197324296.db2.gz PBJZWQPTDQBQNY-LFVTVUPYSA-N 0 0 315.461 3.186 20 10 DGCDRN COc1ncc(C)cc1NC(=O)NCc1cccc(Cl)c1O ZINC001667734462 1197383705 /nfs/dbraw/zinc/38/37/05/1197383705.db2.gz XVZGNNFTOVUVIZ-UHFFFAOYSA-N 0 0 321.764 3.079 20 10 DGCDRN Cc1cscc1CNC(=O)NCc1cc(Cl)ccc1O ZINC001672347450 1197606096 /nfs/dbraw/zinc/60/60/96/1197606096.db2.gz IGJLDGLHUDDERO-UHFFFAOYSA-N 0 0 310.806 3.415 20 10 DGCDRN CCC1(C)CN(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC001673743478 1197688469 /nfs/dbraw/zinc/68/84/69/1197688469.db2.gz FFJAGTHGSQOLLT-HNNXBMFYSA-N 0 0 317.477 3.434 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@]12C[C@H]1CCC2 ZINC001673744520 1197688499 /nfs/dbraw/zinc/68/84/99/1197688499.db2.gz NBDBGGDUSWZEGH-IDHHARJASA-N 0 0 315.461 3.234 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCCc2ccc(Cl)cc2)c1 ZINC001675498005 1198081893 /nfs/dbraw/zinc/08/18/93/1198081893.db2.gz GNIFFCAYFYAKIM-UHFFFAOYSA-N 0 0 318.804 3.396 20 10 DGCDRN CC(=O)c1cc(NC(=O)N2Cc3cccc(O)c3C2)ccc1F ZINC001677406409 1198528173 /nfs/dbraw/zinc/52/81/73/1198528173.db2.gz NRGZTXHTVWFSPK-UHFFFAOYSA-N 0 0 314.316 3.282 20 10 DGCDRN O=C(NCc1c(O)cccc1F)N[C@H](c1ccccc1)C(F)F ZINC001677779276 1198587873 /nfs/dbraw/zinc/58/78/73/1198587873.db2.gz RZUSQVRQKLQFGD-CQSZACIVSA-N 0 0 324.302 3.337 20 10 DGCDRN C[C@@H]1C[C@@H]1CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001677786806 1198588438 /nfs/dbraw/zinc/58/84/38/1198588438.db2.gz BEPZHDTZSXQQQI-GDBMZVCRSA-N 0 0 301.434 3.084 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCCC1CC=CC1 ZINC001678645449 1198713450 /nfs/dbraw/zinc/71/34/50/1198713450.db2.gz SUJAMRHXRFHODM-UHFFFAOYSA-N 0 0 301.434 3.217 20 10 DGCDRN CC(C)CONC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001680680931 1198906348 /nfs/dbraw/zinc/90/63/48/1198906348.db2.gz ZOYQRNOEGNLZEH-UHFFFAOYSA-N 0 0 305.422 3.016 20 10 DGCDRN CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC001680882287 1198921714 /nfs/dbraw/zinc/92/17/14/1198921714.db2.gz KTLGIZXBYZZHOG-JKSUJKDBSA-N 0 0 318.417 3.011 20 10 DGCDRN Cc1cc2cc(CNC(=O)NCc3cc(C)ccc3O)ccc2[nH]1 ZINC001682349724 1199153211 /nfs/dbraw/zinc/15/32/11/1199153211.db2.gz WHGXGDWDTLFACL-UHFFFAOYSA-N 0 0 323.396 3.490 20 10 DGCDRN CCON(C)C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001684604796 1199398819 /nfs/dbraw/zinc/39/88/19/1199398819.db2.gz VEVMQFDKMYPXNP-UHFFFAOYSA-N 0 0 301.390 3.187 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)NC[C@@]12C[C@@H]1CCCC2 ZINC001685297621 1199464088 /nfs/dbraw/zinc/46/40/88/1199464088.db2.gz FRVQCRYXFGGWGB-BLLLJJGKSA-N 0 0 308.809 3.425 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC1CC=CC1 ZINC001686827000 1199592874 /nfs/dbraw/zinc/59/28/74/1199592874.db2.gz UPNCYWAFMBGDFU-OAHLLOKOSA-N 0 0 315.461 3.257 20 10 DGCDRN C[C@@H](NC(=O)NCc1ccccc1O)[C@H]1CC2CCC1CC2 ZINC001686933501 1199601775 /nfs/dbraw/zinc/60/17/75/1199601775.db2.gz PJAXFHDPNDXESO-UWLZSVRSSA-N 0 0 302.418 3.406 20 10 DGCDRN CN(Cc1ccccc1O)c1nnc(-c2ccccn2)n1C1CC1 ZINC001768680997 1199827055 /nfs/dbraw/zinc/82/70/55/1199827055.db2.gz CAZWMXURVSEOQW-UHFFFAOYSA-N 0 0 321.384 3.017 20 10 DGCDRN COc1ccc(C)cc1NC(=S)NCc1ncccc1C ZINC000243282037 1203584258 /nfs/dbraw/zinc/58/42/58/1203584258.db2.gz LBAMXMIOCHXQRD-UHFFFAOYSA-N 0 0 301.415 3.194 20 10 DGCDRN CCN1CCN(C(=O)/C=C/c2cncc(F)c2)c2ccccc21 ZINC000171892887 1203857452 /nfs/dbraw/zinc/85/74/52/1203857452.db2.gz YJTDZTMPWOMDNZ-BQYQJAHWSA-N 0 0 311.360 3.107 20 10 DGCDRN CC[N@H+](Cc1ccc(N2CCCCC2)c(C)c1)[C@H](C)C(=O)[O-] ZINC001589736611 950542997 /nfs/dbraw/zinc/54/29/97/950542997.db2.gz GOYKEIFJCBLPDN-OAHLLOKOSA-N 0 0 304.434 3.280 20 10 DGCDRN O=C([O-])[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2O)Cc2ccccc21 ZINC001594951835 954960081 /nfs/dbraw/zinc/96/00/81/954960081.db2.gz PQHHVZLPOHJAHY-OAHLLOKOSA-N 0 0 317.772 3.230 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(C(=O)[O-])s1)c1ccc(N(C)C)cc1 ZINC001589131251 956191835 /nfs/dbraw/zinc/19/18/35/956191835.db2.gz GFQHEAYNMVLXEV-LLVKDONJSA-N 0 0 304.415 3.363 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[N@@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC001594311217 958023929 /nfs/dbraw/zinc/02/39/29/958023929.db2.gz GDQMLSHQPKRIIV-INIZCTEOSA-N 0 0 304.434 3.280 20 10 DGCDRN Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H](CC(C)C)C(=O)[O-] ZINC001594262054 959700754 /nfs/dbraw/zinc/70/07/54/959700754.db2.gz QMLMCJQNVFBWDT-CQSZACIVSA-N 0 0 302.418 3.323 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C1CCC(C(=O)[O-])CC1 ZINC001605186414 972900152 /nfs/dbraw/zinc/90/01/52/972900152.db2.gz CLMTZBJOKMIWMY-UQPPLGOBSA-N 0 0 318.461 3.225 20 10 DGCDRN Cc1cc(O)c(C[NH2+]Cc2ccccc2C(=O)[O-])c(Cl)c1 ZINC001605217016 972965879 /nfs/dbraw/zinc/96/58/79/972965879.db2.gz UZXMPKSPQDKDBB-UHFFFAOYSA-N 0 0 305.761 3.342 20 10 DGCDRN CCN(C)c1ccc(C[N@@H+]2CCc3ccccc3[C@H]2C(=O)[O-])cc1 ZINC001603724154 974158906 /nfs/dbraw/zinc/15/89/06/974158906.db2.gz NGXUVRIJCNVRMR-IBGZPJMESA-N 0 0 324.424 3.327 20 10 DGCDRN CCN(C)c1ccc(C[NH2+][C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001603724742 974162505 /nfs/dbraw/zinc/16/25/05/974162505.db2.gz VAXJVXXLQULUAP-KRWDZBQOSA-N 0 0 316.376 3.197 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)Cc1cccs1)c1cc(C(=O)[O-])ccc1O ZINC001592902828 979829341 /nfs/dbraw/zinc/82/93/41/979829341.db2.gz ORKYNMDQICQBDR-WDEREUQCSA-N 0 0 305.399 3.434 20 10 DGCDRN CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CC[C@H](CC(=O)[O-])[C@@H]1C ZINC001595894628 982931788 /nfs/dbraw/zinc/93/17/88/982931788.db2.gz NYOTYPULDRPMDH-YSVLISHTSA-N 0 0 304.434 3.251 20 10 DGCDRN CCN(CC)c1ccc(C[N@H+](C)Cc2ccc(C(=O)[O-])[nH]2)cc1 ZINC001596290027 983711110 /nfs/dbraw/zinc/71/11/10/983711110.db2.gz WUWSPVPEWINJKT-UHFFFAOYSA-N 0 0 315.417 3.191 20 10 DGCDRN CCc1cccc(C[N@H+](CC2CC2)[C@@](C)(CC)C(=O)[O-])c1O ZINC001597586535 988404576 /nfs/dbraw/zinc/40/45/76/988404576.db2.gz GLUFXJFCBGWGHX-SFHVURJKSA-N 0 0 305.418 3.420 20 10 DGCDRN CN(C)c1ccc(C[NH2+]Cc2ccc(C(=O)[O-])c(F)c2)cc1F ZINC001598320659 991318635 /nfs/dbraw/zinc/31/86/35/991318635.db2.gz LDIPUJVVTZUICT-UHFFFAOYSA-N 0 0 320.339 3.019 20 10 DGCDRN C[C@H]([NH2+][C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC001593196125 994153057 /nfs/dbraw/zinc/15/30/57/994153057.db2.gz UPSFOMBRINCKIB-YVEFUNNKSA-N 0 0 316.376 3.368 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)c1cc(C(=O)[O-])ccc1O ZINC001593230045 994357265 /nfs/dbraw/zinc/35/72/65/994357265.db2.gz BFEUYJSZAGBQHV-GHJWDPDVSA-N 0 0 321.417 3.335 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1cc(C(=O)[O-])ccc1O ZINC001593234250 994397782 /nfs/dbraw/zinc/39/77/82/994397782.db2.gz WSECLDSJYSEOBM-JSGCOSHPSA-N 0 0 319.401 3.233 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1cc(C(=O)[O-])ccc1O ZINC001593234249 994398749 /nfs/dbraw/zinc/39/87/49/994398749.db2.gz WSECLDSJYSEOBM-GXTWGEPZSA-N 0 0 319.401 3.233 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1cc(C(=O)[O-])ccc1O ZINC001593234434 994402233 /nfs/dbraw/zinc/40/22/33/994402233.db2.gz ZZOUCERNYWKKEK-MGPLVRAMSA-N 0 0 312.369 3.011 20 10 DGCDRN C[C@H]([NH2+]CCC[C@@H]1CCCCO1)c1cc(C(=O)[O-])ccc1O ZINC001593264426 994566116 /nfs/dbraw/zinc/56/61/16/994566116.db2.gz KIHFAABAYPMXHY-JSGCOSHPSA-N 0 0 307.390 3.090 20 10 DGCDRN C[C@@H]([NH2+]CCN1[C@H](C)CCC[C@@H]1C)c1cc(C(=O)[O-])ccc1O ZINC001593266441 994580118 /nfs/dbraw/zinc/58/01/18/994580118.db2.gz DPLGSKOCQOGONO-HZSPNIEDSA-N 0 0 320.433 3.004 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(F)cc1F)c1cc(C(=O)[O-])ccc1O ZINC001593299298 994721776 /nfs/dbraw/zinc/72/17/76/994721776.db2.gz RBWOSPULSOGHFX-VIFPVBQESA-N 0 0 307.296 3.219 20 10 DGCDRN C[C@@H]1CCC[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C1 ZINC001594382807 999444672 /nfs/dbraw/zinc/44/46/72/999444672.db2.gz DMVLUXQIKYZJIX-LLVKDONJSA-N 0 0 304.365 3.248 20 10 DGCDRN Oc1cc(Cl)c(Cl)cc1CN1CCOC[C@H]1C1CC1 ZINC001236800582 1099792747 /nfs/dbraw/zinc/79/27/47/1099792747.db2.gz WHIPNUZQCZQGKU-ZDUSSCGKSA-N 0 0 302.201 3.310 20 10 DGCDRN CC(C)CNC(=O)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC001322120676 1107524841 /nfs/dbraw/zinc/52/48/41/1107524841.db2.gz NIYYAYOKNFSYFD-SECBINFHSA-N 0 0 319.232 3.122 20 10 DGCDRN Oc1ccc(CNc2nc(Cl)cc(C(F)(F)F)n2)cc1O ZINC001169993334 1081806686 /nfs/dbraw/zinc/80/66/86/1081806686.db2.gz MDPREOGIZAYGQN-UHFFFAOYSA-N 0 0 319.670 3.172 20 10 DGCDRN COc1ncc(NCc2ccc(O)c(O)c2)cc1C(F)(F)F ZINC001169995224 1081816904 /nfs/dbraw/zinc/81/69/04/1081816904.db2.gz UVTRAMZHYDLSKF-UHFFFAOYSA-N 0 0 314.263 3.132 20 10 DGCDRN COC(=O)c1ccc(NCc2ccc(O)c(O)c2)c(C)c1C ZINC001169997300 1081821966 /nfs/dbraw/zinc/82/19/66/1081821966.db2.gz YOMOCIVAOAHIQI-UHFFFAOYSA-N 0 0 301.342 3.113 20 10 DGCDRN CSc1ccccc1N(c1ccc(N)cc1)S(C)(=O)=O ZINC001211066077 1082067325 /nfs/dbraw/zinc/06/73/25/1082067325.db2.gz QURFYAXUMIQAKV-UHFFFAOYSA-N 0 0 308.428 3.088 20 10 DGCDRN COc1cccc(-n2c(=N)ccc(/N=N/c3ccccc3)c2N)n1 ZINC001211297191 1082107831 /nfs/dbraw/zinc/10/78/31/1082107831.db2.gz JGDKKOYCGDHBQC-PXTJVOGYSA-N 0 0 320.356 3.358 20 10 DGCDRN O=C(/C=C\c1ccc(Cl)s1)NCc1ccc(O)c(O)c1 ZINC000588401192 1082142390 /nfs/dbraw/zinc/14/23/90/1082142390.db2.gz VWIBXIBDHKIYOT-UTCJRWHESA-N 0 0 309.774 3.142 20 10 DGCDRN O=C(/C=C\c1ccc(Cl)nc1)N1CCCc2cccc(O)c21 ZINC000588401507 1082143260 /nfs/dbraw/zinc/14/32/60/1082143260.db2.gz DRIFEBRDFMNJHK-CLFYSBASSA-N 0 0 314.772 3.433 20 10 DGCDRN Oc1cccc(Cl)c1CN1CCOC[C@@H]1c1cccnc1 ZINC001140342186 1082145331 /nfs/dbraw/zinc/14/53/31/1082145331.db2.gz WILOBLFLWHPDCB-OAHLLOKOSA-N 0 0 304.777 3.014 20 10 DGCDRN C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1cccc(F)c1F ZINC000588407845 1082162673 /nfs/dbraw/zinc/16/26/73/1082162673.db2.gz FMOFEPYSTJUMPC-BJPMOSCESA-N 0 0 319.307 3.267 20 10 DGCDRN CSc1ncc(N(CCO)c2ccc(N)cc2)cc1Cl ZINC001216028890 1082244095 /nfs/dbraw/zinc/24/40/95/1082244095.db2.gz PMWXPNJMXMIBRY-UHFFFAOYSA-N 0 0 309.822 3.170 20 10 DGCDRN O=C(CNc1cccc(C(F)(F)F)c1)c1ccc(O)c(O)c1 ZINC001170315157 1082344743 /nfs/dbraw/zinc/34/47/43/1082344743.db2.gz QVKXPKCBEBWFHD-UHFFFAOYSA-N 0 0 311.259 3.411 20 10 DGCDRN O=C(CNc1cncc(-c2ccccc2)c1)c1ccc(O)c(O)c1 ZINC001170315179 1082344849 /nfs/dbraw/zinc/34/48/49/1082344849.db2.gz SHGDAZVDPXJHTC-UHFFFAOYSA-N 0 0 320.348 3.455 20 10 DGCDRN Cc1oc2ccccc2c1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588480115 1082428417 /nfs/dbraw/zinc/42/84/17/1082428417.db2.gz AKQCHEZFQBYWIX-CLFYSBASSA-N 0 0 323.348 3.482 20 10 DGCDRN [O-]c1cc(F)cc(F)c1CN1CC[NH+](CC2CCCCC2)CC1 ZINC001140582926 1082582295 /nfs/dbraw/zinc/58/22/95/1082582295.db2.gz PTSRSATWEWITMS-UHFFFAOYSA-N 0 0 324.415 3.368 20 10 DGCDRN COc1ccc(CC[N@H+](C)Cc2c([O-])cc(F)cc2F)cc1 ZINC001140583505 1082585997 /nfs/dbraw/zinc/58/59/97/1082585997.db2.gz IYOZHGHLSCUNCV-UHFFFAOYSA-N 0 0 307.340 3.354 20 10 DGCDRN Cc1cc(CNC(=O)c2conc2C)c(C)n1-c1ccccc1 ZINC001132267802 1082862116 /nfs/dbraw/zinc/86/21/16/1082862116.db2.gz NWGZMDYLGUJZJI-UHFFFAOYSA-N 0 0 309.369 3.321 20 10 DGCDRN COc1cccc(/C=C2/SC(N3CCCCC3)=NC2=O)c1F ZINC000588619305 1082865639 /nfs/dbraw/zinc/86/56/39/1082865639.db2.gz ZGWAXUQXXKWQPW-JLHYYAGUSA-N 0 0 320.389 3.291 20 10 DGCDRN COC(=O)[C@@H](CC(F)(F)F)NCc1cc(C(C)C)ccc1O ZINC001180962643 1083377763 /nfs/dbraw/zinc/37/77/63/1083377763.db2.gz OWONHHVFYYYSPT-GFCCVEGCSA-N 0 0 319.323 3.099 20 10 DGCDRN CN1C(=O)COc2cc(NCc3ccc(Cl)cc3O)ccc21 ZINC001181223621 1083436280 /nfs/dbraw/zinc/43/62/80/1083436280.db2.gz QUPVIHQXWQMZKB-UHFFFAOYSA-N 0 0 318.760 3.013 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cccc2c1O[C@@H](C)C2 ZINC001126079742 1083793031 /nfs/dbraw/zinc/79/30/31/1083793031.db2.gz GLHWUAOVMDXQKV-AWEZNQCLSA-N 0 0 324.424 3.314 20 10 DGCDRN CSC[C@H](C)C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001183216288 1083899690 /nfs/dbraw/zinc/89/96/90/1083899690.db2.gz FHZQPHCDXLGHRR-VIFPVBQESA-N 0 0 324.833 3.209 20 10 DGCDRN [O-]c1c(C[NH2+]Cc2noc3ccc(F)cc23)ccc(F)c1F ZINC001183406032 1083939055 /nfs/dbraw/zinc/93/90/55/1083939055.db2.gz AZDXEEYMSNPBCP-UHFFFAOYSA-N 0 0 308.259 3.241 20 10 DGCDRN [O-]c1cccc(F)c1C[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC001183918678 1084066820 /nfs/dbraw/zinc/06/68/20/1084066820.db2.gz BMNPYEQTNMGJQC-UHFFFAOYSA-N 0 0 303.362 3.273 20 10 DGCDRN CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2c([O-])cccc2F)C1 ZINC001183919737 1084067383 /nfs/dbraw/zinc/06/73/83/1084067383.db2.gz OMEOUCNZVJYCRB-GFCCVEGCSA-N 0 0 324.396 3.020 20 10 DGCDRN Cc1ccc(-c2noc([C@H](O)c3ccc(N(C)C)cc3)n2)cc1 ZINC001211701171 1084224237 /nfs/dbraw/zinc/22/42/37/1084224237.db2.gz MGWXOCUUANULCX-MRXNPFEDSA-N 0 0 309.369 3.193 20 10 DGCDRN Cc1cccc(CNC(=O)Nc2ccc(F)c(F)c2F)c1O ZINC001185351189 1084416023 /nfs/dbraw/zinc/41/60/23/1084416023.db2.gz FHWPUSUMNFPVPQ-UHFFFAOYSA-N 0 0 310.275 3.440 20 10 DGCDRN COCCCCC(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001185626935 1084491311 /nfs/dbraw/zinc/49/13/11/1084491311.db2.gz BKBRSHOQWIGPDK-UHFFFAOYSA-N 0 0 322.792 3.027 20 10 DGCDRN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCOC1 ZINC001185898280 1084549416 /nfs/dbraw/zinc/54/94/16/1084549416.db2.gz KTVBRUCIXDRMJX-CYBMUJFWSA-N 0 0 312.325 3.027 20 10 DGCDRN O=C(C[C@@H]1CCc2cc(F)ccc2C1)NCc1ccccc1O ZINC001186160624 1084603040 /nfs/dbraw/zinc/60/30/40/1084603040.db2.gz ITVVQKQLOSTWPS-CYBMUJFWSA-N 0 0 313.372 3.343 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(O)c(C(=O)Nc2cnn(C)c2C)c1 ZINC001186826693 1084709969 /nfs/dbraw/zinc/70/99/69/1084709969.db2.gz NPYQTRZOXFRSBF-UHFFFAOYSA-N 0 0 324.384 3.094 20 10 DGCDRN CCn1cc(Cl)c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC001269587117 1085479269 /nfs/dbraw/zinc/47/92/69/1085479269.db2.gz CATGSKAZWRMOTR-LLVKDONJSA-N 0 0 320.824 3.113 20 10 DGCDRN Oc1cc(O)c(CCNc2cc3cc(F)ccc3cn2)cc1O ZINC001168006622 1086156840 /nfs/dbraw/zinc/15/68/40/1086156840.db2.gz QVFPFHDHHPJWJY-UHFFFAOYSA-N 0 0 314.316 3.145 20 10 DGCDRN Cc1nc2c(cccc2NCCc2cc(O)c(O)cc2O)s1 ZINC001168014626 1086274448 /nfs/dbraw/zinc/27/44/48/1086274448.db2.gz WBRWFLKPDBOSJH-UHFFFAOYSA-N 0 0 316.382 3.376 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)c1cncc(Cl)c1 ZINC001271356144 1086586585 /nfs/dbraw/zinc/58/65/85/1086586585.db2.gz KNJALHVMXPPIFK-UHFFFAOYSA-N 0 0 309.112 3.177 20 10 DGCDRN CN(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001142514323 1087275349 /nfs/dbraw/zinc/27/53/49/1087275349.db2.gz LJTPNOUKAZHPNW-UONOGXRCSA-N 0 0 305.418 3.314 20 10 DGCDRN COc1ccc(N(C)C[C@H]2CCC3(CCC3)CO2)c(OC)c1 ZINC001168317562 1087292084 /nfs/dbraw/zinc/29/20/84/1087292084.db2.gz QNHDLZQWDSODQM-OAHLLOKOSA-N 0 0 305.418 3.489 20 10 DGCDRN O=C(c1cc2ccccc2cn1)N1CCc2cccc(O)c2C1 ZINC001151691664 1087759415 /nfs/dbraw/zinc/75/94/15/1087759415.db2.gz XREUJTZLGAFDLW-UHFFFAOYSA-N 0 0 304.349 3.139 20 10 DGCDRN Cc1ccc(-c2cc(C(=O)N[C@H](C)c3ccccc3O)[nH]n2)o1 ZINC001151885725 1087809949 /nfs/dbraw/zinc/80/99/49/1087809949.db2.gz DREZGRNMBLJGPH-LLVKDONJSA-N 0 0 311.341 3.175 20 10 DGCDRN COc1ccc(Cl)cc1CC(=O)N[C@@H](C)c1ccccc1O ZINC001151892208 1087815108 /nfs/dbraw/zinc/81/51/08/1087815108.db2.gz LHSQDIUEAVRHQX-NSHDSACASA-N 0 0 319.788 3.474 20 10 DGCDRN O=C(c1ccc(OC(F)(F)F)cc1)N1Cc2cccc(O)c2C1 ZINC001152565420 1088004962 /nfs/dbraw/zinc/00/49/62/1088004962.db2.gz LHSLZPKHQDDHPT-UHFFFAOYSA-N 0 0 323.270 3.447 20 10 DGCDRN O=C(/C=C\SCc1ccco1)N1Cc2cccc(O)c2C1 ZINC001152574051 1088006903 /nfs/dbraw/zinc/00/69/03/1088006903.db2.gz QPWQMRDBJCWFBT-VURMDHGXSA-N 0 0 301.367 3.275 20 10 DGCDRN Oc1ccc(CNc2nc(Cl)nc3c(F)cccc23)cc1O ZINC001158995884 1088125151 /nfs/dbraw/zinc/12/51/51/1088125151.db2.gz PVJBSVHJOQKEEG-UHFFFAOYSA-N 0 0 319.723 3.446 20 10 DGCDRN Oc1ccc(CNC(F)(F)c2nc(Cl)ccc2F)cc1O ZINC001158995498 1088125725 /nfs/dbraw/zinc/12/57/25/1088125725.db2.gz HMGXWSAGXMEUAS-UHFFFAOYSA-N 0 0 318.682 3.124 20 10 DGCDRN O=C(/C=C\COc1ccccc1)NCc1cccc(Cl)c1O ZINC001159041508 1088155668 /nfs/dbraw/zinc/15/56/68/1088155668.db2.gz PXQMTTOBJGSLOZ-YHYXMXQVSA-N 0 0 317.772 3.297 20 10 DGCDRN Cc1cc(NCC(=O)c2ccc(O)c(O)c2)nc2ccccc12 ZINC001159276269 1088265454 /nfs/dbraw/zinc/26/54/54/1088265454.db2.gz GPESHHCGSGSLOB-UHFFFAOYSA-N 0 0 308.337 3.249 20 10 DGCDRN CC1(C)C[C@@]1(C)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001153666776 1088322267 /nfs/dbraw/zinc/32/22/67/1088322267.db2.gz ORPKFEJSMFUHGM-INIZCTEOSA-N 0 0 305.399 3.479 20 10 DGCDRN O=C(c1c[nH]c2ccc(F)cc12)N1CCc2cccc(O)c2C1 ZINC001154137453 1088485811 /nfs/dbraw/zinc/48/58/11/1088485811.db2.gz QXJKRRPOQPTZHB-UHFFFAOYSA-N 0 0 310.328 3.211 20 10 DGCDRN COC(=O)c1c(Nc2ccc(N)cc2)ccc2c1OC[C@H]1C[C@@H]21 ZINC001159969835 1088578120 /nfs/dbraw/zinc/57/81/20/1088578120.db2.gz AEWNILLRRWWBOT-QMTHXVAHSA-N 0 0 310.353 3.295 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2ccc3ccncc3c2)c(O)c1 ZINC001154601428 1088673575 /nfs/dbraw/zinc/67/35/75/1088673575.db2.gz VWAUHGPQKVMWAU-UHFFFAOYSA-N 0 0 306.365 3.487 20 10 DGCDRN Cc1nc(NCc2cc3ccccc3cc2O)ncc1[N+](=O)[O-] ZINC001160206224 1088696580 /nfs/dbraw/zinc/69/65/80/1088696580.db2.gz ITMZAZBMWBXHHN-UHFFFAOYSA-N 0 0 310.313 3.164 20 10 DGCDRN CCOC(=O)c1nccnc1NCc1cc2ccccc2cc1O ZINC001160205810 1088697512 /nfs/dbraw/zinc/69/75/12/1088697512.db2.gz BMNFKHSCBZSHSR-UHFFFAOYSA-N 0 0 323.352 3.124 20 10 DGCDRN CCN(Cc1ccccc1O)c1cc(N2CCCCC2)ncn1 ZINC001154888735 1088810234 /nfs/dbraw/zinc/81/02/34/1088810234.db2.gz JXOQNYZDKXNUOW-UHFFFAOYSA-N 0 0 312.417 3.199 20 10 DGCDRN CCN(Cc1ccccc1O)c1ncnc2cc(Cl)cnc21 ZINC001154888466 1088810942 /nfs/dbraw/zinc/81/09/42/1088810942.db2.gz DPMSHEYODCQEGV-UHFFFAOYSA-N 0 0 314.776 3.410 20 10 DGCDRN CCOC(=O)c1cnc(N(CC)Cc2ccccc2O)c(C)c1 ZINC001154890171 1088813123 /nfs/dbraw/zinc/81/31/23/1088813123.db2.gz RKIYXWMGOGQQNU-UHFFFAOYSA-N 0 0 314.385 3.299 20 10 DGCDRN C[C@H]1Oc2ccccc2[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001160570213 1088880378 /nfs/dbraw/zinc/88/03/78/1088880378.db2.gz BBZRGCJRKILECP-BMIGLBTASA-N 0 0 324.340 3.101 20 10 DGCDRN Cc1cccc(CNC(F)(F)c2cc(Cl)nc(C)n2)c1O ZINC001160764534 1088948917 /nfs/dbraw/zinc/94/89/17/1088948917.db2.gz KSPXHLZBDWHVSX-UHFFFAOYSA-N 0 0 313.735 3.292 20 10 DGCDRN CCOc1nc(Cl)cc(NCc2c(C)cc(C)cc2O)n1 ZINC001160807753 1088972767 /nfs/dbraw/zinc/97/27/67/1088972767.db2.gz BRWMWQLWPLUJAY-UHFFFAOYSA-N 0 0 307.781 3.463 20 10 DGCDRN COc1ccc(C)cc1[C@@H](C)NC(=O)c1c(F)ccc(O)c1O ZINC001161448572 1089249722 /nfs/dbraw/zinc/24/97/22/1089249722.db2.gz FZSHFWCKYKSIAZ-SNVBAGLBSA-N 0 0 319.332 3.045 20 10 DGCDRN Cc1cc2ccncc2nc1N1CCCc2cc(O)c(O)cc2C1 ZINC001155947628 1089308854 /nfs/dbraw/zinc/30/88/54/1089308854.db2.gz AISHTLUCIMOOBR-UHFFFAOYSA-N 0 0 321.380 3.302 20 10 DGCDRN Cc1cc(C(=O)NCc2c(O)cccc2F)nc2ccccc12 ZINC001156169968 1089417098 /nfs/dbraw/zinc/41/70/98/1089417098.db2.gz AEGOJJNQWAFXSL-UHFFFAOYSA-N 0 0 310.328 3.318 20 10 DGCDRN Cc1cc(F)c(CNC(=O)/C=C/c2ccc(O)c(O)c2)c(F)c1 ZINC001156670097 1089632893 /nfs/dbraw/zinc/63/28/93/1089632893.db2.gz PCSQKBYYIWYWOI-HWKANZROSA-N 0 0 319.307 3.014 20 10 DGCDRN C[C@H](C(=O)NCc1ccc(O)cc1O)c1cc2ccccc2o1 ZINC001162277939 1089650434 /nfs/dbraw/zinc/65/04/34/1089650434.db2.gz DRGONBYNQYGYQQ-NSHDSACASA-N 0 0 311.337 3.264 20 10 DGCDRN Cc1ccc(C(=O)NCc2c(O)cccc2O)c2ccccc12 ZINC001156885318 1089731265 /nfs/dbraw/zinc/73/12/65/1089731265.db2.gz DJCUALYWQCVDOZ-UHFFFAOYSA-N 0 0 307.349 3.489 20 10 DGCDRN CCc1nc(C(C)C)ccc1C(=O)NCc1c(O)cccc1O ZINC001156885967 1089731439 /nfs/dbraw/zinc/73/14/39/1089731439.db2.gz QJYYLSNLIZNIOG-UHFFFAOYSA-N 0 0 314.385 3.109 20 10 DGCDRN CN(C)c1ccc(CN(C)c2c(F)nc(F)nc2Cl)cc1 ZINC001156921099 1089743750 /nfs/dbraw/zinc/74/37/50/1089743750.db2.gz SKYXTTHEJRDNFV-UHFFFAOYSA-N 0 0 312.751 3.111 20 10 DGCDRN CC(C)n1cnc2cnc(N(C)Cc3ccc(N(C)C)cc3)nc21 ZINC001156921316 1089745730 /nfs/dbraw/zinc/74/57/30/1089745730.db2.gz XLSGJXLUCBKLTB-UHFFFAOYSA-N 0 0 324.432 3.110 20 10 DGCDRN CN(C)c1ccc(CN(C)c2nc(Cl)nc3[nH]ccc32)cc1 ZINC001156921241 1089746523 /nfs/dbraw/zinc/74/65/23/1089746523.db2.gz RKSKTXWTPPZAQL-UHFFFAOYSA-N 0 0 315.808 3.314 20 10 DGCDRN O=C(CC1CCC1)NCCC1=CCN(c2cccc(F)n2)CC1 ZINC001089820304 1089774968 /nfs/dbraw/zinc/77/49/68/1089774968.db2.gz UDRKKZULMFPFDP-UHFFFAOYSA-N 0 0 317.408 3.054 20 10 DGCDRN O=CNc1ccc(C(=O)NCc2c(O)ccc3ccccc32)cc1 ZINC001157041568 1089796282 /nfs/dbraw/zinc/79/62/82/1089796282.db2.gz JJNCQZLIFNTYTM-UHFFFAOYSA-N 0 0 320.348 3.044 20 10 DGCDRN CC(C)Cn1cc(C(=O)NCc2c(O)ccc3ccccc32)cn1 ZINC001157042103 1089797256 /nfs/dbraw/zinc/79/72/56/1089797256.db2.gz XBMXLAJLSQZZAY-UHFFFAOYSA-N 0 0 323.396 3.328 20 10 DGCDRN Oc1cc(O)c(CCNc2ncc(F)c3ccccc32)cc1O ZINC001157245737 1089889459 /nfs/dbraw/zinc/88/94/59/1089889459.db2.gz LGBYFBWRJUWLRC-UHFFFAOYSA-N 0 0 314.316 3.145 20 10 DGCDRN COc1cc(O)c(CN2CC[C@@](C)(F)[C@@H](F)C2)c(Cl)c1 ZINC001236800086 1089924633 /nfs/dbraw/zinc/92/46/33/1089924633.db2.gz WROAASVGRUIXHC-UONOGXRCSA-N 0 0 305.752 3.326 20 10 DGCDRN C[C@H](Nc1ncnc2[nH]c(Cl)cc21)c1ccc(N(C)C)cc1 ZINC001163099184 1090074953 /nfs/dbraw/zinc/07/49/53/1090074953.db2.gz DDCRVELAIITKEH-JTQLQIEISA-N 0 0 315.808 3.272 20 10 DGCDRN COc1cncc(NCc2cc(Cl)c3cccnc3c2O)n1 ZINC001157723989 1090089136 /nfs/dbraw/zinc/08/91/36/1090089136.db2.gz IDSHJNHSPOPMIG-UHFFFAOYSA-N 0 0 316.748 3.005 20 10 DGCDRN C[N@H+](Cc1c([O-])ccc(Cl)c1Cl)[C@H]1CC[C@H](O)CC1 ZINC001237077489 1090283402 /nfs/dbraw/zinc/28/34/02/1090283402.db2.gz IJQOSAIJFSEOBJ-MGCOHNPYSA-N 0 0 304.217 3.434 20 10 DGCDRN O=[N+]([O-])c1ccc(NCc2cccc(Cl)c2O)c([N+](=O)[O-])c1 ZINC001164342569 1090406139 /nfs/dbraw/zinc/40/61/39/1090406139.db2.gz RRUXSNSITDTMAV-UHFFFAOYSA-N 0 0 323.692 3.474 20 10 DGCDRN COC(=O)c1cnc(SCc2cnc3ccccc3n2)s1 ZINC001166233890 1090591009 /nfs/dbraw/zinc/59/10/09/1090591009.db2.gz CDUQOLADHCHGMU-UHFFFAOYSA-N 0 0 317.395 3.165 20 10 DGCDRN Nc1ncccc1Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001212398410 1090621031 /nfs/dbraw/zinc/62/10/31/1090621031.db2.gz SCTWBGXQRZZRAW-UHFFFAOYSA-N 0 0 315.332 3.183 20 10 DGCDRN Cc1snnc1-c1nc(-c2cccc(OC(C)C)c2)no1 ZINC001212405360 1090626309 /nfs/dbraw/zinc/62/63/09/1090626309.db2.gz QAUSGTLTCOLIEU-UHFFFAOYSA-N 0 0 302.359 3.351 20 10 DGCDRN COC(=O)c1cc(OCCc2ccccc2F)ccc1N(C)C ZINC001166714320 1090645994 /nfs/dbraw/zinc/64/59/94/1090645994.db2.gz RZUCVAJXTWJMSA-UHFFFAOYSA-N 0 0 317.360 3.300 20 10 DGCDRN COC(=O)c1cc(OCc2cc(F)ccc2F)ccc1N(C)C ZINC001166713279 1090645998 /nfs/dbraw/zinc/64/59/98/1090645998.db2.gz CSPYLHXMMGMNAF-UHFFFAOYSA-N 0 0 321.323 3.396 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccns2)cc1 ZINC001167016818 1090695130 /nfs/dbraw/zinc/69/51/30/1090695130.db2.gz JJNWLMJSZFLPMA-UHFFFAOYSA-N 0 0 311.410 3.481 20 10 DGCDRN NC(=O)c1ccc(Nc2cccc3c2C(=O)c2ccccc2-3)cn1 ZINC001203444735 1090736736 /nfs/dbraw/zinc/73/67/36/1090736736.db2.gz YBEKRQKPFANGMF-UHFFFAOYSA-N 0 0 315.332 3.136 20 10 DGCDRN O=C1COc2cccc(NCc3cc(Cl)cc(F)c3O)c2N1 ZINC001203457520 1090738329 /nfs/dbraw/zinc/73/83/29/1090738329.db2.gz JVGGRAMVUOYHPR-UHFFFAOYSA-N 0 0 322.723 3.128 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCC[C@H]1O ZINC001203574220 1090759518 /nfs/dbraw/zinc/75/95/18/1090759518.db2.gz QGFAAGYBDVZTSY-NOZJJQNGSA-N 0 0 304.217 3.292 20 10 DGCDRN COc1cccc(CN2CCc3nc(Cl)ccc3C2)c1O ZINC001203595754 1090764710 /nfs/dbraw/zinc/76/47/10/1090764710.db2.gz JMNQWGPOPHJJEF-UHFFFAOYSA-N 0 0 304.777 3.008 20 10 DGCDRN Oc1ccc(Cl)cc1CN1CCOC[C@H]1c1cccnc1 ZINC001203664401 1090776345 /nfs/dbraw/zinc/77/63/45/1090776345.db2.gz CXSLPBSDBXBOFF-HNNXBMFYSA-N 0 0 304.777 3.014 20 10 DGCDRN O=C(c1ccccc1)C1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203873544 1090825428 /nfs/dbraw/zinc/82/54/28/1090825428.db2.gz FBXGTIRAHAFGKT-UHFFFAOYSA-N 0 0 311.381 3.193 20 10 DGCDRN CCc1nc(OC)ccc1NCc1ccc(N(C)C)c(F)c1 ZINC001203897539 1090832375 /nfs/dbraw/zinc/83/23/75/1090832375.db2.gz QTKIRKIVLMAYAX-UHFFFAOYSA-N 0 0 303.381 3.470 20 10 DGCDRN CN(C)c1ccc(CN2CC(Oc3ccc(F)c(F)c3)C2)cc1 ZINC001203934552 1090843260 /nfs/dbraw/zinc/84/32/60/1090843260.db2.gz WDUWYGPGYUDUQY-UHFFFAOYSA-N 0 0 318.367 3.294 20 10 DGCDRN COc1cc(CC[NH2+]Cc2cc(F)cc(F)c2[O-])cc(OC)c1 ZINC001204096349 1090900988 /nfs/dbraw/zinc/90/09/88/1090900988.db2.gz GSSXMBUQUCRPIC-UHFFFAOYSA-N 0 0 323.339 3.020 20 10 DGCDRN c1cncc([C@H]2COCCN2Cc2ccc(N3CCCC3)cc2)c1 ZINC001204328844 1090950268 /nfs/dbraw/zinc/95/02/68/1090950268.db2.gz PPAPFNWGJQYAOE-HXUWFJFHSA-N 0 0 323.440 3.255 20 10 DGCDRN COc1ccccc1[C@H](C)N(C)Cc1cc(O)c(O)c(OC)c1 ZINC001204346124 1090952514 /nfs/dbraw/zinc/95/25/14/1090952514.db2.gz LFVJRFLZMMRMPC-LBPRGKRZSA-N 0 0 317.385 3.308 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1cc(F)c(F)c(F)c1)CCC2 ZINC001204530541 1090992912 /nfs/dbraw/zinc/99/29/12/1090992912.db2.gz GUVOYFPXDVCLBJ-UHFFFAOYSA-N 0 0 323.314 3.464 20 10 DGCDRN CCCCC[C@H](O)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC001626085117 1091017385 /nfs/dbraw/zinc/01/73/85/1091017385.db2.gz CVWLQUYOTNVYJZ-KRWDZBQOSA-N 0 0 306.450 3.090 20 10 DGCDRN Cc1nsc(C)c1C(=O)Nc1c2nonc2ccc1Cl ZINC001128603790 1091072002 /nfs/dbraw/zinc/07/20/02/1091072002.db2.gz NHWSNPSYPFJQER-UHFFFAOYSA-N 0 0 308.750 3.202 20 10 DGCDRN Cn1cnc(/C=C/C(=O)N2CCc3cccc(C(F)(F)F)c32)c1 ZINC001128777289 1091086864 /nfs/dbraw/zinc/08/68/64/1091086864.db2.gz IHPLWJFAQNFZLY-AATRIKPKSA-N 0 0 321.302 3.041 20 10 DGCDRN Cc1c(CN2CC([NH+]3CCC(F)CC3)C2)c2ccccc2n1C ZINC001138258504 1091127232 /nfs/dbraw/zinc/12/72/32/1091127232.db2.gz TYYIAUIRQOAISJ-UHFFFAOYSA-N 0 0 315.436 3.105 20 10 DGCDRN Cc1cc(C(=O)NCc2ccc3c(c2)CCCN3C)cc(C)n1 ZINC001292206182 1091136962 /nfs/dbraw/zinc/13/69/62/1091136962.db2.gz BFNLJFCKBCUKII-UHFFFAOYSA-N 0 0 309.413 3.011 20 10 DGCDRN CCOC(=O)[C@@H](NCc1ccc2c(c1)CCCO2)C(C)(C)C ZINC001205276142 1091160900 /nfs/dbraw/zinc/16/09/00/1091160900.db2.gz GBOYYPNVXIWQFV-MRXNPFEDSA-N 0 0 305.418 3.079 20 10 DGCDRN CC(C)(C)c1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1O ZINC001138440210 1091185780 /nfs/dbraw/zinc/18/57/80/1091185780.db2.gz AKYQSSPGLCENTA-UHFFFAOYSA-N 0 0 315.369 3.282 20 10 DGCDRN CCc1nnc(N(C)Cc2ccccc2O)n1CC1(CC)CC1 ZINC001292841475 1091185887 /nfs/dbraw/zinc/18/58/87/1091185887.db2.gz VYCSZFOBYILFGW-UHFFFAOYSA-N 0 0 314.433 3.373 20 10 DGCDRN CNc1ccccc1CN(C)c1cc(OC)c(OC)c(OC)c1 ZINC001205353913 1091196210 /nfs/dbraw/zinc/19/62/10/1091196210.db2.gz PHMSVXTZGFIKDS-UHFFFAOYSA-N 0 0 316.401 3.391 20 10 DGCDRN COC(=O)[C@@H](C)[N@H+](Cc1cc(C(C)C)ccc1O)C1CCC1 ZINC001205403116 1091212319 /nfs/dbraw/zinc/21/23/19/1091212319.db2.gz REIABYAUZXYESN-CYBMUJFWSA-N 0 0 305.418 3.432 20 10 DGCDRN Nc1ccc(Nc2ccc(C3(N4CCOCC4)CC3)cc2)cc1 ZINC001205817921 1091364765 /nfs/dbraw/zinc/36/47/65/1091364765.db2.gz QKAJUHOVSXDKGI-UHFFFAOYSA-N 0 0 309.413 3.334 20 10 DGCDRN CC(F)(F)C1(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC001118800027 1091406179 /nfs/dbraw/zinc/40/61/79/1091406179.db2.gz FHOQXYHGCOMLNE-UHFFFAOYSA-N 0 0 308.372 3.338 20 10 DGCDRN Oc1cccc2c1CN(Cc1cccc(Br)n1)CC2 ZINC001205982003 1091436150 /nfs/dbraw/zinc/43/61/50/1091436150.db2.gz BRAPQLUNMLOOPM-UHFFFAOYSA-N 0 0 319.202 3.108 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CCC(C)(C)CC1 ZINC001139128988 1091459173 /nfs/dbraw/zinc/45/91/73/1091459173.db2.gz JTTZYEJEKONEHP-UHFFFAOYSA-N 0 0 301.386 3.429 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2CN1CCn2cccc2[C@H]1C ZINC001139131535 1091460014 /nfs/dbraw/zinc/46/00/14/1091460014.db2.gz OSXJZUVDWFBTBG-CYBMUJFWSA-N 0 0 324.380 3.185 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cc2ncccc2o1 ZINC001294869460 1091463205 /nfs/dbraw/zinc/46/32/05/1091463205.db2.gz NEPNONDGQLBKHQ-UHFFFAOYSA-N 0 0 322.364 3.342 20 10 DGCDRN C[N@@H+]1CCN(Cc2c(F)ccc(F)c2[O-])[C@H](c2ccccc2)C1 ZINC001139685727 1091641149 /nfs/dbraw/zinc/64/11/49/1091641149.db2.gz VCYHCPCURYBQFW-KRWDZBQOSA-N 0 0 318.367 3.159 20 10 DGCDRN COc1ccc2c(c1)CC[N@@H+](Cc1c(F)ccc(F)c1[O-])C2 ZINC001139685690 1091641462 /nfs/dbraw/zinc/64/14/62/1091641462.db2.gz SXRISPMEWIJLNH-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN Cc1cccc(O[C@H]2CC[N@H+](Cc3c(F)ccc(F)c3[O-])C2)n1 ZINC001139689605 1091642973 /nfs/dbraw/zinc/64/29/73/1091642973.db2.gz IFOPSXSERRORBU-LBPRGKRZSA-N 0 0 320.339 3.027 20 10 DGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001139687641 1091643049 /nfs/dbraw/zinc/64/30/49/1091643049.db2.gz QAGLXJCKDMWIGH-UHFFFAOYSA-N 0 0 321.323 3.030 20 10 DGCDRN CC1(C)OCCC12CC[NH+](Cc1c(F)ccc(F)c1[O-])CC2 ZINC001139686618 1091643826 /nfs/dbraw/zinc/64/38/26/1091643826.db2.gz CULLXZXDHBVTDE-UHFFFAOYSA-N 0 0 311.372 3.452 20 10 DGCDRN O=C1NCCc2cc(NCc3ccc4ccccc4c3O)ccc21 ZINC001206648387 1091696599 /nfs/dbraw/zinc/69/65/99/1091696599.db2.gz YGEWAYCUSVRBKA-UHFFFAOYSA-N 0 0 318.376 3.443 20 10 DGCDRN CCN(Cc1c[nH]c2ccccc12)C(=O)Cc1ccc(O)c(O)c1 ZINC001296454646 1091740916 /nfs/dbraw/zinc/74/09/16/1091740916.db2.gz UJYFFJRJLDRVLH-UHFFFAOYSA-N 0 0 324.380 3.170 20 10 DGCDRN CCOC(=O)CN(Cc1ccsc1)Cc1cc(F)ccc1O ZINC001140058749 1091752202 /nfs/dbraw/zinc/75/22/02/1091752202.db2.gz KQHQKOICSUYIDV-UHFFFAOYSA-N 0 0 323.389 3.158 20 10 DGCDRN Cc1cc(C(=O)N2CCCCN2)c(C)n1-c1cccc(Cl)c1 ZINC001140203781 1091800007 /nfs/dbraw/zinc/80/00/07/1091800007.db2.gz OFLCNMDMHNNACZ-UHFFFAOYSA-N 0 0 317.820 3.488 20 10 DGCDRN Oc1cccc(Cl)c1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001140341656 1091835235 /nfs/dbraw/zinc/83/52/35/1091835235.db2.gz AINFCJCQWBNHIA-UHFFFAOYSA-N 0 0 319.788 3.405 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2cncc(C)c2)C1 ZINC001207160795 1091870298 /nfs/dbraw/zinc/87/02/98/1091870298.db2.gz KIVNDUJPPVNQFM-UHFFFAOYSA-N 0 0 321.424 3.449 20 10 DGCDRN Cc1cccnc1N1CCN(Cc2ccc(Cl)cc2O)CC1 ZINC001140461423 1091874073 /nfs/dbraw/zinc/87/40/73/1091874073.db2.gz LWJAZOMGNWFRLE-UHFFFAOYSA-N 0 0 317.820 3.071 20 10 DGCDRN OC[C@H]1CCC[C@H](C(F)(F)F)N1Cc1ccc(Cl)cc1O ZINC001140461420 1091874240 /nfs/dbraw/zinc/87/42/40/1091874240.db2.gz LVVXMKDBJXULAU-DGCLKSJQSA-N 0 0 323.742 3.323 20 10 DGCDRN CN(CC(=O)OCc1ccccc1)Cc1ccc(Cl)cc1O ZINC001140464400 1091875674 /nfs/dbraw/zinc/87/56/74/1091875674.db2.gz OEZDJNWMZDPQKG-UHFFFAOYSA-N 0 0 319.788 3.221 20 10 DGCDRN Cc1[nH]c(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c(C)c1C(=O)[O-] ZINC001140496901 1091891015 /nfs/dbraw/zinc/89/10/15/1091891015.db2.gz WMGWIOXBORZTSN-UHFFFAOYSA-N 0 0 315.417 3.028 20 10 DGCDRN COc1cnc(NC(=O)c2cc3cc(O)c(O)cc3s2)s1 ZINC001140590731 1091923462 /nfs/dbraw/zinc/92/34/62/1091923462.db2.gz KQUPIUJQCQTWOF-UHFFFAOYSA-N 0 0 322.367 3.030 20 10 DGCDRN Oc1cccc2c1C[N@H+](CCc1c(Cl)ncnc1Cl)CC2 ZINC001207332626 1091927405 /nfs/dbraw/zinc/92/74/05/1091927405.db2.gz QLWVLKULLQFXEA-UHFFFAOYSA-N 0 0 324.211 3.090 20 10 DGCDRN COC(=O)[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2Cl)[C@@H]1C ZINC001140925283 1092065136 /nfs/dbraw/zinc/06/51/36/1092065136.db2.gz QWVMSWBAZWRENS-DOMZBBRYSA-N 0 0 324.852 3.180 20 10 DGCDRN O=C(NC[C@@H]1CCC[C@@H]1c1ccccc1)c1cccc(O)c1O ZINC001298514750 1092067346 /nfs/dbraw/zinc/06/73/46/1092067346.db2.gz ZIURPFJMXNWWDH-LSDHHAIUSA-N 0 0 311.381 3.412 20 10 DGCDRN COC(=O)[C@@H](NCc1ccc(Cl)cc1O)c1ccccc1 ZINC001207748603 1092088254 /nfs/dbraw/zinc/08/82/54/1092088254.db2.gz LSOAQVCPDDMPHJ-HNNXBMFYSA-N 0 0 305.761 3.050 20 10 DGCDRN CC[N@H+](Cc1ccccc1)Cc1c(O)cc(OC)cc1OC ZINC001141032168 1092112124 /nfs/dbraw/zinc/11/21/24/1092112124.db2.gz UQZTZLSKSCBTEY-UHFFFAOYSA-N 0 0 301.386 3.432 20 10 DGCDRN COc1ccc(N2CCN(Cc3cnccc3C)CC2)c(C)c1 ZINC001141048393 1092120001 /nfs/dbraw/zinc/12/00/01/1092120001.db2.gz MBPNPZIDVCFUGO-UHFFFAOYSA-N 0 0 311.429 3.029 20 10 DGCDRN CN(Cc1cscn1)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141077876 1092130189 /nfs/dbraw/zinc/13/01/89/1092130189.db2.gz DJPFTVJAAXCEEZ-UHFFFAOYSA-N 0 0 313.470 3.474 20 10 DGCDRN CN1CCOc2cc(CN3CCC[C@H](F)C(F)(F)C3)ccc21 ZINC001141140880 1092148916 /nfs/dbraw/zinc/14/89/16/1092148916.db2.gz QNCNKFMWKWJIPM-HNNXBMFYSA-N 0 0 314.351 3.084 20 10 DGCDRN Cc1cccc(NC(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC001141704540 1092318584 /nfs/dbraw/zinc/31/85/84/1092318584.db2.gz PAYUZXUHWXMCMP-UHFFFAOYSA-N 0 0 300.339 3.268 20 10 DGCDRN COc1ccc(NC(=O)N2Cc3cccc(O)c3C2)c(F)c1 ZINC001208346426 1092322630 /nfs/dbraw/zinc/32/26/30/1092322630.db2.gz YHIHAMGISDYAJW-UHFFFAOYSA-N 0 0 302.305 3.088 20 10 DGCDRN Cc1c[nH]c(CNC(=O)c2sccc2-n2c(C)ccc2C)n1 ZINC001168833062 1092388238 /nfs/dbraw/zinc/38/82/38/1092388238.db2.gz IDQHPNBVQQNZOB-UHFFFAOYSA-N 0 0 314.414 3.117 20 10 DGCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)C1CC(F)C1 ZINC001142570904 1092506096 /nfs/dbraw/zinc/50/60/96/1092506096.db2.gz QWACUAGCIUEFNM-DFTOXLCKSA-N 0 0 313.336 3.353 20 10 DGCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)C(F)(F)F ZINC001142764201 1092545949 /nfs/dbraw/zinc/54/59/49/1092545949.db2.gz PTZQUZQKQGHBKK-ZETAFRACSA-N 0 0 309.251 3.168 20 10 DGCDRN CC(C)(C)c1cccc(CN2CC(F)(F)C[C@]2(C)CO)c1O ZINC001143103630 1092615043 /nfs/dbraw/zinc/61/50/43/1092615043.db2.gz HXIKEDYLAYMERW-MRXNPFEDSA-N 0 0 313.388 3.282 20 10 DGCDRN CC(C)(C)c1cccc(CN2C[C@@H](CO)CC(F)(F)C2)c1O ZINC001143103405 1092615178 /nfs/dbraw/zinc/61/51/78/1092615178.db2.gz CIAHPXALKGYRAN-LBPRGKRZSA-N 0 0 313.388 3.139 20 10 DGCDRN COC(=O)[C@@H]1CCCCN1Cc1cccc(C(C)(C)C)c1O ZINC001143103997 1092615473 /nfs/dbraw/zinc/61/54/73/1092615473.db2.gz NZEAUEDJYFPUFW-HNNXBMFYSA-N 0 0 305.418 3.217 20 10 DGCDRN COc1c(F)ccc(CN2CCc3cccc(O)c3C2)c1F ZINC001143329107 1092657031 /nfs/dbraw/zinc/65/70/31/1092657031.db2.gz KKYAEZDZMSYTJU-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN COC(=O)[C@H](C)N(C)Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001209518071 1092804924 /nfs/dbraw/zinc/80/49/24/1092804924.db2.gz MPBGTIXMRZWKSE-HNNXBMFYSA-N 0 0 300.402 3.087 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(CN2CCC(=O)[C@@H](F)C2)cc1 ZINC001209517255 1092805744 /nfs/dbraw/zinc/80/57/44/1092805744.db2.gz AWYHNMSUWIAKLI-KRWDZBQOSA-N 0 0 300.377 3.207 20 10 DGCDRN Cc1cc(CNC(=O)c2cnnc(C)c2)c(C)n1-c1ccccc1 ZINC001151154341 1092870346 /nfs/dbraw/zinc/87/03/46/1092870346.db2.gz UPGHLFXKIRVKSS-UHFFFAOYSA-N 0 0 320.396 3.123 20 10 DGCDRN COCCOc1cccc(Nc2ccc3c(c2)OCCN3)c1 ZINC001209767942 1092910970 /nfs/dbraw/zinc/91/09/70/1092910970.db2.gz SXPGZDRLIBYAJK-UHFFFAOYSA-N 0 0 300.358 3.260 20 10 DGCDRN CCN(CCO)c1ccc(Nc2ccc3c(c2)OCCN3)cc1 ZINC001209767643 1092911777 /nfs/dbraw/zinc/91/17/77/1092911777.db2.gz OIJMCBPSYBKZLB-UHFFFAOYSA-N 0 0 313.401 3.053 20 10 DGCDRN COC(=O)c1cc(F)cc(Nc2ccc3c(c2)OCCN3)c1 ZINC001209767541 1092911965 /nfs/dbraw/zinc/91/19/65/1092911965.db2.gz LVQRYQAVMYAEJN-UHFFFAOYSA-N 0 0 302.305 3.160 20 10 DGCDRN CC1(C)c2cccc(Nc3ccc4c(c3)OCCN4)c2CNC1=O ZINC001209789406 1092923419 /nfs/dbraw/zinc/92/34/19/1092923419.db2.gz PNKYGBLHAQHQDG-UHFFFAOYSA-N 0 0 323.396 3.142 20 10 DGCDRN CC(=O)Oc1ccc(F)c(Nc2ccc3c(c2)OCCN3)c1 ZINC001209789254 1092924211 /nfs/dbraw/zinc/92/42/11/1092924211.db2.gz NFMKSEMQSZYIDS-UHFFFAOYSA-N 0 0 302.305 3.299 20 10 DGCDRN Cc1cc(C)c(N(C)S(=O)(=O)Cc2ccc(N)cc2)cc1C ZINC001209831889 1092939885 /nfs/dbraw/zinc/93/98/85/1092939885.db2.gz UPINFYLZFHOBFM-UHFFFAOYSA-N 0 0 318.442 3.160 20 10 DGCDRN CC(=O)c1cc(Nc2cc(OC(F)(F)F)ccc2O)ccn1 ZINC001210594076 1093221542 /nfs/dbraw/zinc/22/15/42/1093221542.db2.gz AOVFEGMVYYAOLA-UHFFFAOYSA-N 0 0 312.247 3.054 20 10 DGCDRN Cc1cc2cc(N(c3ccc(N)cc3)S(C)(=O)=O)ccc2[nH]1 ZINC001213794199 1093662727 /nfs/dbraw/zinc/66/27/27/1093662727.db2.gz IDGLKJMGNKKJGX-UHFFFAOYSA-N 0 0 315.398 3.156 20 10 DGCDRN COc1c(F)cc(N(CCO)c2ccc(N)cc2)cc1Cl ZINC001214972030 1093893186 /nfs/dbraw/zinc/89/31/86/1093893186.db2.gz VVBQRYSHLNCQMR-UHFFFAOYSA-N 0 0 310.756 3.200 20 10 DGCDRN CCN(CC)C(=O)c1cccc(Nc2cccc(O)c2O)c1F ZINC001215017871 1093902925 /nfs/dbraw/zinc/90/29/25/1093902925.db2.gz LYEBGJHKGGBYOA-UHFFFAOYSA-N 0 0 318.348 3.463 20 10 DGCDRN O=C1CCCc2ccc(-c3noc(-c4cccc(O)c4O)n3)cc21 ZINC001215146006 1093926954 /nfs/dbraw/zinc/92/69/54/1093926954.db2.gz WOTOVSYCQSGVMP-UHFFFAOYSA-N 0 0 322.320 3.334 20 10 DGCDRN Cc1cc(-c2noc(-c3cccc(O)c3O)n2)c(F)cc1F ZINC001215145771 1093927178 /nfs/dbraw/zinc/92/71/78/1093927178.db2.gz IEMJSWRGIXMJGT-UHFFFAOYSA-N 0 0 304.252 3.401 20 10 DGCDRN Oc1cccc(-c2nc(-c3ccc(C(F)(F)F)nc3)no2)c1O ZINC001215145819 1093927253 /nfs/dbraw/zinc/92/72/53/1093927253.db2.gz LCIPOPXOLHXVBX-UHFFFAOYSA-N 0 0 323.230 3.229 20 10 DGCDRN Oc1ccc(-c2nc(-c3cc(F)cc(Cl)c3)no2)c(O)c1O ZINC001215325506 1093960310 /nfs/dbraw/zinc/96/03/10/1093960310.db2.gz XBEMIVPBBFEIGX-UHFFFAOYSA-N 0 0 322.679 3.313 20 10 DGCDRN Oc1ccc(-c2nc(-c3cccc(Cl)c3F)no2)c(O)c1O ZINC001215325356 1093960574 /nfs/dbraw/zinc/96/05/74/1093960574.db2.gz OFVWSFVDKLTBIN-UHFFFAOYSA-N 0 0 322.679 3.313 20 10 DGCDRN Oc1cc(-c2nc(-c3ccc(Cl)cc3F)no2)cc(O)c1O ZINC001215327912 1093961423 /nfs/dbraw/zinc/96/14/23/1093961423.db2.gz ZTQAKYIZAQNKMH-UHFFFAOYSA-N 0 0 322.679 3.313 20 10 DGCDRN Oc1cc(-c2nc(-c3ccc4occc4c3)no2)cc(O)c1O ZINC001215327557 1093961598 /nfs/dbraw/zinc/96/15/98/1093961598.db2.gz IBTDWYRGQCBOLT-UHFFFAOYSA-N 0 0 310.265 3.267 20 10 DGCDRN Cc1cc(Cl)ccc1-c1noc(-c2cc(O)c(O)c(O)c2)n1 ZINC001215327504 1093961998 /nfs/dbraw/zinc/96/19/98/1093961998.db2.gz DSJMXDJVPPKTQA-UHFFFAOYSA-N 0 0 318.716 3.482 20 10 DGCDRN CC(C)Oc1c(F)ccc(N(CCO)c2ccc(N)cc2)c1F ZINC001215728544 1094042301 /nfs/dbraw/zinc/04/23/01/1094042301.db2.gz MQSVDBCDYQZMBZ-UHFFFAOYSA-N 0 0 322.355 3.465 20 10 DGCDRN CCCc1cnc(NC(=O)NCc2c(O)cccc2F)s1 ZINC001216230174 1094152866 /nfs/dbraw/zinc/15/28/66/1094152866.db2.gz VHJULBWFAFNJDI-UHFFFAOYSA-N 0 0 309.366 3.262 20 10 DGCDRN CCOc1cc(C)c(C)cc1N(CCO)c1ccc(N)cc1 ZINC001216375928 1094185018 /nfs/dbraw/zinc/18/50/18/1094185018.db2.gz GLWROMZCPVLJIS-UHFFFAOYSA-N 0 0 300.402 3.415 20 10 DGCDRN COc1ccc2nccc(Nc3cc(Cl)ccc3O)c2n1 ZINC001216398631 1094190633 /nfs/dbraw/zinc/19/06/33/1094190633.db2.gz IWDRKCRPYSRDJH-UHFFFAOYSA-N 0 0 301.733 3.163 20 10 DGCDRN Cc1cc(Cl)ccc1N(C)S(=O)(=O)Cc1ccc(N)cc1 ZINC001216434362 1094198358 /nfs/dbraw/zinc/19/83/58/1094198358.db2.gz QMFZTMGHWLVBFZ-UHFFFAOYSA-N 0 0 324.833 3.197 20 10 DGCDRN COc1cccc(-c2noc(-c3ccc(O)c(O)c3Cl)n2)c1 ZINC001216952085 1094283767 /nfs/dbraw/zinc/28/37/67/1094283767.db2.gz TUGFUAWPQXJZLK-UHFFFAOYSA-N 0 0 318.716 3.477 20 10 DGCDRN Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2ccc(N)cc2)o1 ZINC001120263941 1094396897 /nfs/dbraw/zinc/39/68/97/1094396897.db2.gz WZQIECIQYCEKKP-SFHVURJKSA-N 0 0 320.396 3.260 20 10 DGCDRN Oc1cc2cc(-c3nc(-c4ccccc4F)no3)[nH]c2cc1O ZINC001217471268 1094419462 /nfs/dbraw/zinc/41/94/62/1094419462.db2.gz HKDMWNSITFVEOT-UHFFFAOYSA-N 0 0 311.272 3.435 20 10 DGCDRN CC(C)[C@H](CC(F)(F)F)NC(=O)NCc1ccc(N)cc1 ZINC001120531198 1094449767 /nfs/dbraw/zinc/44/97/67/1094449767.db2.gz BTCYQRXTOJXCPK-LBPRGKRZSA-N 0 0 303.328 3.045 20 10 DGCDRN F[C@H]1CCN[C@H](c2nnc(-c3ccc(-n4cccc4)cc3)o2)C1 ZINC001217705813 1094477261 /nfs/dbraw/zinc/47/72/61/1094477261.db2.gz KIIXOSXMPQMVTR-ZFWWWQNUSA-N 0 0 312.348 3.290 20 10 DGCDRN Nc1ccc(CNC(=O)N2CCC[C@@H]2c2ccsc2)cc1 ZINC001336289900 1094616395 /nfs/dbraw/zinc/61/63/95/1094616395.db2.gz CPAXQLVAEMLUPV-OAHLLOKOSA-N 0 0 301.415 3.377 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnc(C2CC2)s1 ZINC001336497407 1094661455 /nfs/dbraw/zinc/66/14/55/1094661455.db2.gz PSCGGOJXLPIUKW-UHFFFAOYSA-N 0 0 323.414 3.142 20 10 DGCDRN C[C@@H]1CCN(c2nnc(C3SC=CC3=O)n2C)CC12CCC2 ZINC001121366519 1094671199 /nfs/dbraw/zinc/67/11/99/1094671199.db2.gz QDTZQLZNGNVWGD-LLVKDONJSA-N 0 0 318.446 3.266 20 10 DGCDRN CN(C)c1ccc(/N=N/c2ccc(O[C@@H]3CNC(=O)C3)cc2)cc1 ZINC001218339196 1094727569 /nfs/dbraw/zinc/72/75/69/1094727569.db2.gz QDIMDUMJDKKPAN-UAFUQJIBSA-N 0 0 324.384 3.435 20 10 DGCDRN CCS[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(N)cc2)C1 ZINC001336847789 1094758518 /nfs/dbraw/zinc/75/85/18/1094758518.db2.gz HWAQAYZFRDCRIH-HUUCEWRRSA-N 0 0 307.463 3.132 20 10 DGCDRN CCn1c([C@@H](C)SC)nnc1N(C)Cc1ccccc1O ZINC001121735004 1094758558 /nfs/dbraw/zinc/75/85/58/1094758558.db2.gz WBBLJNRWVDHIPJ-LLVKDONJSA-N 0 0 306.435 3.064 20 10 DGCDRN Cc1nc2c(F)cccc2cc1NC(=O)Cc1ccc(N)cc1 ZINC001218707106 1094852458 /nfs/dbraw/zinc/85/24/58/1094852458.db2.gz IDXUFSRTLILLNR-UHFFFAOYSA-N 0 0 309.344 3.446 20 10 DGCDRN Cc1ccc(NC(=O)c2cc3cc(O)c(O)cc3s2)nc1 ZINC001136179272 1094930760 /nfs/dbraw/zinc/93/07/60/1094930760.db2.gz CQNMYIWIYZJADR-UHFFFAOYSA-N 0 0 300.339 3.268 20 10 DGCDRN Cc1cn(-c2ccc(NC(=O)Cc3ccc(N)cc3)cc2F)cn1 ZINC001219083398 1094938516 /nfs/dbraw/zinc/93/85/16/1094938516.db2.gz VRLFDZCTPJKLNO-UHFFFAOYSA-N 0 0 324.359 3.083 20 10 DGCDRN Nc1ccc(CC(=O)Nc2cc(Cl)cc3ncoc32)cc1 ZINC001219412252 1094974218 /nfs/dbraw/zinc/97/42/18/1094974218.db2.gz KFASSONVZUHQLX-UHFFFAOYSA-N 0 0 301.733 3.245 20 10 DGCDRN COc1cccc(NC(=O)N(C)Cc2ccccc2O)c1C ZINC001219470888 1094980555 /nfs/dbraw/zinc/98/05/55/1094980555.db2.gz SBIHWVKYWADMFC-UHFFFAOYSA-N 0 0 300.358 3.373 20 10 DGCDRN O=C(Nc1cccc(N2CCCC2)c1)c1cccc2[nH]cnc21 ZINC001136312607 1094983892 /nfs/dbraw/zinc/98/38/92/1094983892.db2.gz LHLDEZMKCIDAEH-UHFFFAOYSA-N 0 0 306.369 3.415 20 10 DGCDRN CCc1nnc(NCCCSc2nccs2)nc1CC ZINC000192109676 1095039727 /nfs/dbraw/zinc/03/97/27/1095039727.db2.gz HDQIGGNTMFXVRQ-UHFFFAOYSA-N 0 0 309.464 3.047 20 10 DGCDRN CC(C)Oc1ccc(NC(=O)Cc2ccc(O)c(O)c2)c(F)c1 ZINC001136468023 1095046847 /nfs/dbraw/zinc/04/68/47/1095046847.db2.gz WUHCSUXGYIHNJK-UHFFFAOYSA-N 0 0 319.332 3.205 20 10 DGCDRN O=C(NCCCSc1nccs1)c1cc2ncccc2o1 ZINC001136661552 1095116661 /nfs/dbraw/zinc/11/66/61/1095116661.db2.gz IMLUNLJXGMNOBX-UHFFFAOYSA-N 0 0 319.411 3.197 20 10 DGCDRN Cc1ccccc1[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C1CC1 ZINC001136763178 1095148644 /nfs/dbraw/zinc/14/86/44/1095148644.db2.gz LPACYYMKODICRR-IBGZPJMESA-N 0 0 311.381 3.216 20 10 DGCDRN Cc1ccccc1[C@H](NC(=O)Cc1ccc(O)c(O)c1)C1CC1 ZINC001136763179 1095149706 /nfs/dbraw/zinc/14/97/06/1095149706.db2.gz LPACYYMKODICRR-LJQANCHMSA-N 0 0 311.381 3.216 20 10 DGCDRN CN(C)c1ccc(CN(C)Cc2nc(C(F)(F)F)c[nH]2)cc1 ZINC001137018813 1095288979 /nfs/dbraw/zinc/28/89/79/1095288979.db2.gz GQWNYOABMCVIKS-UHFFFAOYSA-N 0 0 312.339 3.127 20 10 DGCDRN Cn1c(C2SC=CC2=O)nnc1N1CCCC(C)(C)CC1 ZINC001338749634 1095379762 /nfs/dbraw/zinc/37/97/62/1095379762.db2.gz IXFGAZNCVIFNCQ-UHFFFAOYSA-N 0 0 306.435 3.266 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC[C@@H]2C=CCC2)cc1F ZINC001221879151 1095381485 /nfs/dbraw/zinc/38/14/85/1095381485.db2.gz SUJOQQBMVWGYDZ-CQSZACIVSA-N 0 0 319.424 3.437 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC[C@H]2C=CCC2)cc1F ZINC001221879150 1095381544 /nfs/dbraw/zinc/38/15/44/1095381544.db2.gz SUJOQQBMVWGYDZ-AWEZNQCLSA-N 0 0 319.424 3.437 20 10 DGCDRN CN1C(=O)c2ccccc2N[C@H]1c1ccc(N2CCCC2)cc1 ZINC001115862242 1095408593 /nfs/dbraw/zinc/40/85/93/1095408593.db2.gz KEWFZKHSAITUGM-GOSISDBHSA-N 0 0 307.397 3.483 20 10 DGCDRN C[C@H](NC(=O)[C@@H](CCCO)c1ccccc1)c1ccccc1O ZINC001123869641 1095465696 /nfs/dbraw/zinc/46/56/96/1095465696.db2.gz VJEDUHIWYLBOEY-YOEHRIQHSA-N 0 0 313.397 3.126 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)OCCCO)c1 ZINC001116164329 1095473788 /nfs/dbraw/zinc/47/37/88/1095473788.db2.gz KJUUYTXULONHAO-UHFFFAOYSA-N 0 0 307.777 3.287 20 10 DGCDRN CSCCC(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001144046250 1095483362 /nfs/dbraw/zinc/48/33/62/1095483362.db2.gz MGJMGPAXLDZLSG-LAHHSVPQSA-N 0 0 315.402 3.358 20 10 DGCDRN CCOc1cccc(CN(C)Cc2cc(C(C)(C)C)n[nH]2)c1O ZINC001339300470 1095578979 /nfs/dbraw/zinc/57/89/79/1095578979.db2.gz JEPUKNKLXVIYOC-UHFFFAOYSA-N 0 0 317.433 3.444 20 10 DGCDRN [O-]c1cc(F)c(Br)cc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001144306907 1095600773 /nfs/dbraw/zinc/60/07/73/1095600773.db2.gz WGTSKSCFXXKPOD-ARENWVFISA-N 0 0 318.161 3.226 20 10 DGCDRN CC(C)c1noc(CC[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])n1 ZINC001116589334 1095608631 /nfs/dbraw/zinc/60/86/31/1095608631.db2.gz UHRWJBJQIDTQDP-SECBINFHSA-N 0 0 311.332 3.070 20 10 DGCDRN Oc1ccc(Br)cc1CNc1cc(Cl)cnn1 ZINC001171166221 1095619154 /nfs/dbraw/zinc/61/91/54/1095619154.db2.gz BDCRMFIKERBDOL-UHFFFAOYSA-N 0 0 314.570 3.210 20 10 DGCDRN COc1ccccc1C(=O)Nc1c2nonc2ccc1Cl ZINC001339436966 1095624497 /nfs/dbraw/zinc/62/44/97/1095624497.db2.gz BWQWNHLSMITNPU-UHFFFAOYSA-N 0 0 303.705 3.137 20 10 DGCDRN COC(=O)[C@H]1C[C@H](C)CCN1Cc1ccc(N2CCCC2)cc1 ZINC001116655628 1095627644 /nfs/dbraw/zinc/62/76/44/1095627644.db2.gz VBVZRQLDFXKFDE-CRAIPNDOSA-N 0 0 316.445 3.060 20 10 DGCDRN C[C@@H]1CN(c2nnc(C3SC=CC3=O)n2C)[C@H]2CCCC[C@@H]12 ZINC001339458685 1095630138 /nfs/dbraw/zinc/63/01/38/1095630138.db2.gz RTTCCOUBFYMROZ-WOPDTQHZSA-N 0 0 318.446 3.264 20 10 DGCDRN CN(Cc1ccccc1O)c1nnc([C@H]2C[C@H]2C(C)(C)C)n1C ZINC001339571735 1095660654 /nfs/dbraw/zinc/66/06/54/1095660654.db2.gz PKORYGTUOCNCSF-UONOGXRCSA-N 0 0 314.433 3.307 20 10 DGCDRN CN(C)c1ccc(CN(C)Cc2c(F)cc(O)cc2F)cc1 ZINC001144560832 1095712519 /nfs/dbraw/zinc/71/25/19/1095712519.db2.gz AUXLOYCMOSMOFJ-UHFFFAOYSA-N 0 0 306.356 3.368 20 10 DGCDRN [O-]c1cccc(F)c1C[N@@H+]1CC[C@@H](Oc2cc(F)ccc2F)C1 ZINC001137837807 1095758913 /nfs/dbraw/zinc/75/89/13/1095758913.db2.gz VOPCNSAQFKYCOI-GFCCVEGCSA-N 0 0 323.314 3.463 20 10 DGCDRN CCC[C@](C)(CO)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001137870678 1095773847 /nfs/dbraw/zinc/77/38/47/1095773847.db2.gz YHYIJUAAQOOSQP-LJQANCHMSA-N 0 0 314.429 3.375 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1c(F)ccc(F)c1F)CCC2 ZINC001137932213 1095793160 /nfs/dbraw/zinc/79/31/60/1095793160.db2.gz NQBCWNFINXWYEH-UHFFFAOYSA-N 0 0 323.314 3.464 20 10 DGCDRN Cc1cc2cc(NCc3cc(F)ccc3O)ccc2n(C)c1=O ZINC001117722626 1095817470 /nfs/dbraw/zinc/81/74/70/1095817470.db2.gz CMPIIMOQVAMWQT-UHFFFAOYSA-N 0 0 312.344 3.304 20 10 DGCDRN Cc1ccc(O)c(CNc2ccc3c(cc(C)c(=O)n3C)c2)c1 ZINC001117723365 1095818188 /nfs/dbraw/zinc/81/81/88/1095818188.db2.gz WKZBJLXFHGXGMQ-UHFFFAOYSA-N 0 0 308.381 3.473 20 10 DGCDRN CN(C)c1ccc(/C=C/CNc2ccc(CCC(N)=O)cc2)cc1 ZINC001117782627 1095851913 /nfs/dbraw/zinc/85/19/13/1095851913.db2.gz MSAVRRGZPNEAKM-ONEGZZNKSA-N 0 0 323.440 3.296 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)/C=C\C(C)(C)C)cc1 ZINC001144868390 1095872095 /nfs/dbraw/zinc/87/20/95/1095872095.db2.gz ZXQLDHOZCOEBOC-QXMHVHEDSA-N 0 0 304.434 3.192 20 10 DGCDRN CNC(=O)Cc1ccccc1NC/C=C\c1ccc(N(C)C)cc1 ZINC001117830556 1095883187 /nfs/dbraw/zinc/88/31/87/1095883187.db2.gz FEOSHFQODHOITN-SREVYHEPSA-N 0 0 323.440 3.166 20 10 DGCDRN Oc1c(F)cccc1CN1CCc2nn(-c3ccccc3)cc2C1 ZINC001138129722 1095897928 /nfs/dbraw/zinc/89/79/28/1095897928.db2.gz SQMGBUSFCVJHHA-UHFFFAOYSA-N 0 0 323.371 3.275 20 10 DGCDRN O=C(C[C@@H]1Cc2ccccc2O1)NCc1cc(Cl)ccc1O ZINC001146231237 1096007360 /nfs/dbraw/zinc/00/73/60/1096007360.db2.gz CZTKNPJQKPKXNT-AWEZNQCLSA-N 0 0 317.772 3.056 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N(C)C[C@@H]2CC2(C)C)cc1F ZINC001118530523 1096027335 /nfs/dbraw/zinc/02/73/35/1096027335.db2.gz QBVCXBOQTGINHI-ZDUSSCGKSA-N 0 0 307.413 3.079 20 10 DGCDRN COc1ccc(N2CC3(CCN3C(=O)[C@@H]3C=CCC=C3C)C2)cc1 ZINC001276923983 1096074923 /nfs/dbraw/zinc/07/49/23/1096074923.db2.gz APRBTBBWTLCJMJ-GOSISDBHSA-N 0 0 324.424 3.009 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)C1(Oc2ccccc2)CC1 ZINC001118837090 1096086630 /nfs/dbraw/zinc/08/66/30/1096086630.db2.gz JRWPVYSSKWOBNC-UHFFFAOYSA-N 0 0 317.772 3.273 20 10 DGCDRN [O-]c1c(C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)ccc(F)c1F ZINC001119244310 1096143663 /nfs/dbraw/zinc/14/36/63/1096143663.db2.gz FCPDMELWIKGYTJ-UHFFFAOYSA-N 0 0 317.335 3.423 20 10 DGCDRN Nc1ccc(CCNC(=O)Cc2ccc(C3CCC3)cc2)cc1 ZINC001341354541 1096161405 /nfs/dbraw/zinc/16/14/05/1096161405.db2.gz RZOKECUTSDOEKF-UHFFFAOYSA-N 0 0 308.425 3.438 20 10 DGCDRN CCCC1(C(=O)N2CCN(c3ccc(OCC)cc3)CC2)CC1 ZINC001341406503 1096170574 /nfs/dbraw/zinc/17/05/74/1096170574.db2.gz IGEBSEDWGRNNKO-UHFFFAOYSA-N 0 0 316.445 3.314 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cncc2c1CCCC2 ZINC001147248665 1096186049 /nfs/dbraw/zinc/18/60/49/1096186049.db2.gz UAMXPFZAWXZQRQ-SOFGYWHQSA-N 0 0 310.353 3.024 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2cnccc2C(F)(F)F)c(O)c1 ZINC001147274649 1096197293 /nfs/dbraw/zinc/19/72/93/1096197293.db2.gz HDKZCMYKGMYAHM-UHFFFAOYSA-N 0 0 324.302 3.353 20 10 DGCDRN CC(C)C[C@H](NC(=O)c1cccc(O)c1O)c1ccccn1 ZINC001148224287 1096329778 /nfs/dbraw/zinc/32/97/78/1096329778.db2.gz GRGMWTBAHHUBKH-AWEZNQCLSA-N 0 0 300.358 3.010 20 10 DGCDRN CCN(CC)c1ccc(C(=O)N2CCc3cccc(O)c3C2)cc1 ZINC001148277347 1096347410 /nfs/dbraw/zinc/34/74/10/1096347410.db2.gz QFHVQGUNIIWDRF-UHFFFAOYSA-N 0 0 324.424 3.437 20 10 DGCDRN CC(C)c1ccc([C@@H](C)NC(=O)c2cc(O)c(O)c(O)c2)cc1 ZINC001148590190 1096408890 /nfs/dbraw/zinc/40/88/90/1096408890.db2.gz DQUQRGMJOHANBD-LLVKDONJSA-N 0 0 315.369 3.418 20 10 DGCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@H]1COC(C)(C)O1 ZINC001171353550 1096526923 /nfs/dbraw/zinc/52/69/23/1096526923.db2.gz NDRUHDWWEYYMEC-WBVHZDCISA-N 0 0 319.445 3.481 20 10 DGCDRN Nc1cc(Cl)nnc1NCc1cc2ccccc2cc1O ZINC001171399112 1096659623 /nfs/dbraw/zinc/65/96/23/1096659623.db2.gz CRULVJZFEVLOBJ-UHFFFAOYSA-N 0 0 300.749 3.183 20 10 DGCDRN CN(C)C(=O)c1ccnc(NCc2cc3ccccc3cc2O)c1 ZINC001171402856 1096671574 /nfs/dbraw/zinc/67/15/74/1096671574.db2.gz UEYYGFIPVVBBHB-UHFFFAOYSA-N 0 0 321.380 3.254 20 10 DGCDRN Oc1cc2ccccc2cc1CNc1ccccc1-c1nn[nH]n1 ZINC001171405168 1096676278 /nfs/dbraw/zinc/67/62/78/1096676278.db2.gz QRKKSQCHRKPURO-UHFFFAOYSA-N 0 0 317.352 3.338 20 10 DGCDRN CC(C)n1cc(NCc2cc3ccccc3cc2O)ncc1=O ZINC001171407054 1096677517 /nfs/dbraw/zinc/67/75/17/1096677517.db2.gz JYNSPARWFYFBIR-UHFFFAOYSA-N 0 0 309.369 3.295 20 10 DGCDRN CC(C)CC(CC(C)C)Oc1c(O)c(O)c(O)c(O)c1O ZINC001226466003 1096696076 /nfs/dbraw/zinc/69/60/76/1096696076.db2.gz YQPNEQWXJJZULF-UHFFFAOYSA-N 0 0 300.351 3.054 20 10 DGCDRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Oc1c(O)c(O)c(O)c(O)c1O ZINC001226467642 1096696622 /nfs/dbraw/zinc/69/66/22/1096696622.db2.gz INTNDPKERQDPDG-BBBLOLIVSA-N 0 0 312.362 3.054 20 10 DGCDRN CCC[C@H](CCO)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001171528952 1096919203 /nfs/dbraw/zinc/91/92/03/1096919203.db2.gz RLECKUQQNKFVGE-QGZVFWFLSA-N 0 0 314.429 3.375 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC001227470004 1096937885 /nfs/dbraw/zinc/93/78/85/1096937885.db2.gz FYAXKJNHFKLTMG-HUUCEWRRSA-N 0 0 316.788 3.401 20 10 DGCDRN O=C1c2ccccc2C(=O)c2c1ccc(O)c2OC1CC=CC1 ZINC001227581059 1096954883 /nfs/dbraw/zinc/95/48/83/1096954883.db2.gz UZRQGDAWAQHSBS-UHFFFAOYSA-N 0 0 306.317 3.265 20 10 DGCDRN CCOC(=O)C1(C)CCC([N@@H+]2CCc3cccc(O)c3C2)CC1 ZINC001171956617 1097004628 /nfs/dbraw/zinc/00/46/28/1097004628.db2.gz HZLYHOPOCCLEHW-UHFFFAOYSA-N 0 0 317.429 3.262 20 10 DGCDRN C[C@@H]1COCC[C@H]1Oc1cccc2c1C(=O)c1ccccc1C2=O ZINC001228078331 1097046686 /nfs/dbraw/zinc/04/66/86/1097046686.db2.gz GYCSUJAUJQWEEC-MLGOLLRUSA-N 0 0 322.360 3.266 20 10 DGCDRN CC(=O)N1CCN(c2ccc(O[C@@H]3CCC[C@H](C)C3)cc2)CC1 ZINC001228202953 1097072907 /nfs/dbraw/zinc/07/29/07/1097072907.db2.gz XRHRPUMVAYSERL-HNAYVOBHSA-N 0 0 316.445 3.313 20 10 DGCDRN CC[C@@H]1C[C@H]1CNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001228292568 1097090829 /nfs/dbraw/zinc/09/08/29/1097090829.db2.gz NOJSMCAFHASGHR-INMHGKMJSA-N 0 0 317.477 3.337 20 10 DGCDRN CC(C)c1snnc1-c1nc(-c2cccn3ccnc23)no1 ZINC001212687159 1097259796 /nfs/dbraw/zinc/25/97/96/1097259796.db2.gz FDEROCSCIWGDEF-UHFFFAOYSA-N 0 0 312.358 3.026 20 10 DGCDRN COC(=O)[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000324470247 1097437303 /nfs/dbraw/zinc/43/73/03/1097437303.db2.gz ARALYRCMXYZFQU-IBGZPJMESA-N 0 0 324.424 3.291 20 10 DGCDRN Nc1ccc2c(c1Nc1ccoc1)C(=O)c1ccccc1C2=O ZINC001173937425 1097558722 /nfs/dbraw/zinc/55/87/22/1097558722.db2.gz ZFAGONJISLVZIR-UHFFFAOYSA-N 0 0 304.305 3.381 20 10 DGCDRN NC(=O)c1ccccc1Nc1ccccc1C(=O)c1ccncc1 ZINC001173984206 1097565439 /nfs/dbraw/zinc/56/54/39/1097565439.db2.gz QVMFYHOLGUETBE-UHFFFAOYSA-N 0 0 317.348 3.155 20 10 DGCDRN Nc1ccc(N(CCO)c2cccc(N3CCCCC3)c2)cc1 ZINC001174303760 1097665515 /nfs/dbraw/zinc/66/55/15/1097665515.db2.gz XSXILJLIGFNIQZ-UHFFFAOYSA-N 0 0 311.429 3.390 20 10 DGCDRN CC(C)S(=O)(=O)c1ccc(Nc2cccc(O)c2O)cc1 ZINC001174270092 1097665526 /nfs/dbraw/zinc/66/55/26/1097665526.db2.gz JETUDGNOSXKSKV-UHFFFAOYSA-N 0 0 307.371 3.024 20 10 DGCDRN Cn1cc(Nc2ccccc2Cc2ccc(N)cc2)ccc1=O ZINC001174358934 1097695129 /nfs/dbraw/zinc/69/51/29/1097695129.db2.gz DKGWIYGUDKMLEC-UHFFFAOYSA-N 0 0 305.381 3.302 20 10 DGCDRN O=C(c1ccncc1)c1ccccc1Nc1ccc2ncnn2c1 ZINC001174376054 1097701254 /nfs/dbraw/zinc/70/12/54/1097701254.db2.gz KOUVRMJCTPJFFF-UHFFFAOYSA-N 0 0 315.336 3.099 20 10 DGCDRN O=C1c2ccccc2C(=O)c2c([N+](=O)[O-])ccc(OC3CCC3)c21 ZINC001231253502 1097703169 /nfs/dbraw/zinc/70/31/69/1097703169.db2.gz LNRUGNWZRJAYCW-UHFFFAOYSA-N 0 0 323.304 3.302 20 10 DGCDRN C[C@@H]1COCC[C@@H]1Oc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001231265423 1097708485 /nfs/dbraw/zinc/70/84/85/1097708485.db2.gz DZMMPMBSCWCREP-XIKOKIGWSA-N 0 0 322.360 3.266 20 10 DGCDRN O=C([O-])c1ccc(C[N@@H+]2CCCC3(CC(F)C3)CC2)c(O)c1 ZINC001231455617 1097752814 /nfs/dbraw/zinc/75/28/14/1097752814.db2.gz RVWZEPNPNJEDJK-UHFFFAOYSA-N 0 0 307.365 3.195 20 10 DGCDRN O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H]2c2cccs2)c(O)c1 ZINC001231453003 1097753348 /nfs/dbraw/zinc/75/33/48/1097753348.db2.gz ZSIKDYOEUKLGHI-CYBMUJFWSA-N 0 0 303.383 3.489 20 10 DGCDRN COc1cc(N(C)C)ccc1CN1CCc2c(O)cccc2C1 ZINC001231847979 1097861905 /nfs/dbraw/zinc/86/19/05/1097861905.db2.gz CWOZSYROZVHANR-UHFFFAOYSA-N 0 0 312.413 3.025 20 10 DGCDRN COc1cc(N(C)C)ccc1CN1CCC[C@@H](F)C(F)(F)C1 ZINC001231849538 1097864305 /nfs/dbraw/zinc/86/43/05/1097864305.db2.gz VLWKHZQDMDUSFV-OAHLLOKOSA-N 0 0 316.367 3.330 20 10 DGCDRN CCCCC[NH+]1CCN(Cc2ccc(N(C)C)cc2OC)CC1 ZINC001231853846 1097864849 /nfs/dbraw/zinc/86/48/49/1097864849.db2.gz RSGJDMXZMFBTNA-UHFFFAOYSA-N 0 0 319.493 3.069 20 10 DGCDRN Cc1cc(O)c(CN2CCN(c3nccs3)CC2)cc1Cl ZINC001231869253 1097869593 /nfs/dbraw/zinc/86/95/93/1097869593.db2.gz NQSCXRFTEUXLSA-UHFFFAOYSA-N 0 0 323.849 3.133 20 10 DGCDRN [O-]c1c(Cl)cccc1CN1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001231912151 1097889954 /nfs/dbraw/zinc/88/99/54/1097889954.db2.gz WAKULWBSZNQGKS-OAHLLOKOSA-N 0 0 308.853 3.496 20 10 DGCDRN Cc1cnccc1O[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001231913202 1097890800 /nfs/dbraw/zinc/89/08/00/1097890800.db2.gz HXKKUUYBWBRRAN-CQSZACIVSA-N 0 0 318.804 3.402 20 10 DGCDRN Oc1cc(O)c(CN2CC[C@@H](CF)C(F)(F)C2)cc1Cl ZINC001232260997 1097985602 /nfs/dbraw/zinc/98/56/02/1097985602.db2.gz USGYGIWNMRTKJS-VIFPVBQESA-N 0 0 309.715 3.178 20 10 DGCDRN COc1cc(O)c(CN2CCC(F)(F)[C@H](F)C2)cc1Cl ZINC001232264032 1097987055 /nfs/dbraw/zinc/98/70/55/1097987055.db2.gz CQCQPFTYSAAMQW-GFCCVEGCSA-N 0 0 309.715 3.233 20 10 DGCDRN COc1cc([O-])c(C[N@H+](C(C)C)C2CCOCC2)cc1Cl ZINC001232271177 1097988886 /nfs/dbraw/zinc/98/88/86/1097988886.db2.gz PITCRYQPKFUESC-UHFFFAOYSA-N 0 0 313.825 3.444 20 10 DGCDRN CCc1csc(CN2CCCc3cc(O)c(O)cc3C2)n1 ZINC001232474242 1098050682 /nfs/dbraw/zinc/05/06/82/1098050682.db2.gz TVLOQGPABWSTBJ-UHFFFAOYSA-N 0 0 304.415 3.065 20 10 DGCDRN Cc1ccc(CCC(=O)N2CCc3cccc(O)c3C2)s1 ZINC001175604080 1098116731 /nfs/dbraw/zinc/11/67/31/1098116731.db2.gz UAHKXBOBOOJXAA-UHFFFAOYSA-N 0 0 301.411 3.280 20 10 DGCDRN C[N@H+](Cc1cc(O)cc(Br)c1)Cc1ccccc1O ZINC001232998947 1098196917 /nfs/dbraw/zinc/19/69/17/1098196917.db2.gz KYNPYXXPZUJDTO-UHFFFAOYSA-N 0 0 322.202 3.492 20 10 DGCDRN Oc1cc(CN2CCc3cccc(Cl)c3C2)cc(O)c1O ZINC001233014799 1098204573 /nfs/dbraw/zinc/20/45/73/1098204573.db2.gz CHSLEXXZBVYIBT-UHFFFAOYSA-N 0 0 305.761 3.015 20 10 DGCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1-c1cnn(C2CC2)c1 ZINC001175957350 1098211921 /nfs/dbraw/zinc/21/19/21/1098211921.db2.gz QNXGSPDHCTZEJB-QNUODCBWSA-N 0 0 319.372 3.486 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC[C@](CF)(C(F)(F)F)C2)ccc(F)c1F ZINC001233074822 1098219981 /nfs/dbraw/zinc/21/99/81/1098219981.db2.gz XRWHFGPIDLHDPV-GFCCVEGCSA-N 0 0 313.241 3.394 20 10 DGCDRN C[N@H+](CCC(=O)c1cccs1)Cc1ccc(F)c(F)c1[O-] ZINC001233079151 1098220563 /nfs/dbraw/zinc/22/05/63/1098220563.db2.gz XQXQXPYYJAZQRP-UHFFFAOYSA-N 0 0 311.353 3.437 20 10 DGCDRN Cc1cccc(O[C@H]2CC[N@H+](Cc3ccc(F)c(F)c3[O-])C2)n1 ZINC001233079949 1098220729 /nfs/dbraw/zinc/22/07/29/1098220729.db2.gz OFGTUWMTBWGAQD-ZDUSSCGKSA-N 0 0 320.339 3.027 20 10 DGCDRN Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3[O-])C2)nc1 ZINC001233079944 1098221281 /nfs/dbraw/zinc/22/12/81/1098221281.db2.gz OCRHUSDQURLWBA-CYBMUJFWSA-N 0 0 320.339 3.027 20 10 DGCDRN Cc1cnccc1O[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001233080258 1098221331 /nfs/dbraw/zinc/22/13/31/1098221331.db2.gz UHOJKUGKIIFSRF-CYBMUJFWSA-N 0 0 320.339 3.027 20 10 DGCDRN Cc1cc(Br)cc(CN2CCC(=O)C[C@H]2C)c1O ZINC001233106482 1098228390 /nfs/dbraw/zinc/22/83/90/1098228390.db2.gz IDQLNCFWGUXBDU-SNVBAGLBSA-N 0 0 312.207 3.017 20 10 DGCDRN Cc1cc(Br)cc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c1O ZINC001233111024 1098228402 /nfs/dbraw/zinc/22/84/02/1098228402.db2.gz XMJZWHWGIPFFPA-TVYUQYBPSA-N 0 0 314.198 3.395 20 10 DGCDRN Cc1cc(Br)cc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1O ZINC001233109519 1098228562 /nfs/dbraw/zinc/22/85/62/1098228562.db2.gz ZXQWIEWYJICXCG-XDTLVQLUSA-N 0 0 314.198 3.253 20 10 DGCDRN CC(=O)N1CC=C(Nc2ccc(Cc3ccc(N)cc3)cc2)CC1 ZINC001176035234 1098238735 /nfs/dbraw/zinc/23/87/35/1098238735.db2.gz AMILERMROZTXST-UHFFFAOYSA-N 0 0 321.424 3.408 20 10 DGCDRN CCOc1ncc(Cl)cc1CN(C)Cc1ccccc1O ZINC001233171907 1098244807 /nfs/dbraw/zinc/24/48/07/1098244807.db2.gz AQGFVYOYDGYCLV-UHFFFAOYSA-N 0 0 306.793 3.471 20 10 DGCDRN CN(c1ccc(N)cc1)c1cc(C(=O)N2CCCC2)ccc1F ZINC001176215255 1098286008 /nfs/dbraw/zinc/28/60/08/1098286008.db2.gz WFWOUGSOKPNIHV-UHFFFAOYSA-N 0 0 313.376 3.412 20 10 DGCDRN CCOc1ccc(N2CCN(Cc3sncc3C)CC2)cc1 ZINC001233322830 1098287905 /nfs/dbraw/zinc/28/79/05/1098287905.db2.gz WBIDUKCRFHIIAU-UHFFFAOYSA-N 0 0 317.458 3.172 20 10 DGCDRN COc1cc(CN(C)Cc2c(O)ccc(F)c2F)cc(OC)c1 ZINC001233334412 1098292842 /nfs/dbraw/zinc/29/28/42/1098292842.db2.gz FXCCSCYMZDXGOC-UHFFFAOYSA-N 0 0 323.339 3.320 20 10 DGCDRN Oc1ccc(F)c(F)c1CN1CC[C@H]1COCc1ccccc1 ZINC001233334323 1098293023 /nfs/dbraw/zinc/29/30/23/1098293023.db2.gz BTHAAMOBICKTQC-AWEZNQCLSA-N 0 0 319.351 3.462 20 10 DGCDRN Cc1ccn2cc(CN(C)Cc3c(O)ccc(F)c3F)nc2c1 ZINC001233336360 1098293584 /nfs/dbraw/zinc/29/35/84/1098293584.db2.gz JGYUDYSLABIXHI-UHFFFAOYSA-N 0 0 317.339 3.259 20 10 DGCDRN Cc1cnccc1O[C@H]1CC[N@H+](Cc2c([O-])ccc(F)c2F)C1 ZINC001233336301 1098294292 /nfs/dbraw/zinc/29/42/92/1098294292.db2.gz HBUZQLZJWUOOFN-LBPRGKRZSA-N 0 0 320.339 3.027 20 10 DGCDRN Cc1cccnc1O[C@H]1CC[N@H+](Cc2c([O-])ccc(F)c2F)C1 ZINC001233336240 1098294573 /nfs/dbraw/zinc/29/45/73/1098294573.db2.gz DWMAWTHLYDMFDO-LBPRGKRZSA-N 0 0 320.339 3.027 20 10 DGCDRN CN(C)c1ncc(Nc2ccccc2Cc2ccc(N)cc2)cn1 ZINC001176334096 1098315646 /nfs/dbraw/zinc/31/56/46/1098315646.db2.gz UVKCVOJVOZQEEB-UHFFFAOYSA-N 0 0 319.412 3.459 20 10 DGCDRN C[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CC[C@@]1(C)O ZINC001233415728 1098321929 /nfs/dbraw/zinc/32/19/29/1098321929.db2.gz GWVOGADFCMXJGU-XHDPSFHLSA-N 0 0 317.351 3.394 20 10 DGCDRN COC[C@@H]1CCCC[N@@H+]1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233415804 1098322778 /nfs/dbraw/zinc/32/27/78/1098322778.db2.gz IUUMANLAMIFKNU-LBPRGKRZSA-N 0 0 303.324 3.412 20 10 DGCDRN C[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CC[C@]1(C)O ZINC001233415727 1098323543 /nfs/dbraw/zinc/32/35/43/1098323543.db2.gz GWVOGADFCMXJGU-NHYWBVRUSA-N 0 0 317.351 3.394 20 10 DGCDRN CC(=O)C1CC[NH+](Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233418285 1098325519 /nfs/dbraw/zinc/32/55/19/1098325519.db2.gz AGJDWKUCBRNPSX-UHFFFAOYSA-N 0 0 301.308 3.212 20 10 DGCDRN CC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233455056 1098341818 /nfs/dbraw/zinc/34/18/18/1098341818.db2.gz UMRHGNSCDZRFIB-ZDUSSCGKSA-N 0 0 301.308 3.355 20 10 DGCDRN CCCC(=O)c1cc(O)c(O)cc1OC[C@@H]1CCC(C)(C)O1 ZINC001233494044 1098351079 /nfs/dbraw/zinc/35/10/79/1098351079.db2.gz DBRUBRDSJGZXAX-NSHDSACASA-N 0 0 308.374 3.417 20 10 DGCDRN CCN1CCc2cc(OC3CCC4(CC3)OCCO4)ccc21 ZINC001233606376 1098388252 /nfs/dbraw/zinc/38/82/52/1098388252.db2.gz BNCOPFGLKGGUEQ-UHFFFAOYSA-N 0 0 303.402 3.134 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1cscc1C(F)(F)F ZINC001176575765 1098390852 /nfs/dbraw/zinc/39/08/52/1098390852.db2.gz BEZVBBNREXTOKE-UHFFFAOYSA-N 0 0 317.288 3.108 20 10 DGCDRN Cc1cc(C)c(CNC(=O)[C@@H]2C[C@H]2c2cccs2)c(O)c1 ZINC001177552800 1098547445 /nfs/dbraw/zinc/54/74/45/1098547445.db2.gz VKCOZIWHCHWIHX-CHWSQXEVSA-N 0 0 301.411 3.490 20 10 DGCDRN CO[C@@H](COc1cc(O)c(O)cc1C(C)=O)c1ccccc1 ZINC001234473984 1098565083 /nfs/dbraw/zinc/56/50/83/1098565083.db2.gz MJTATVIHWSOFAE-KRWDZBQOSA-N 0 0 302.326 3.067 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1OCc1ccnc(OC(C)C)c1 ZINC001234477506 1098566854 /nfs/dbraw/zinc/56/68/54/1098566854.db2.gz SWYNYQXNWNGAQD-UHFFFAOYSA-N 0 0 317.341 3.062 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3CC[C@]4(CCCO4)C3)c2c1 ZINC001234525930 1098581406 /nfs/dbraw/zinc/58/14/06/1098581406.db2.gz NHNXPQMYCPGBCZ-LJQANCHMSA-N 0 0 313.397 3.309 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3CCCC[C@@H]3C(C)=O)c2c1 ZINC001234562514 1098602244 /nfs/dbraw/zinc/60/22/44/1098602244.db2.gz OWDDDVYSJVIDQA-GOSISDBHSA-N 0 0 313.397 3.498 20 10 DGCDRN Cc1cc(C)c(CNC(=O)Cc2ccc(C3CC3)cn2)c(O)c1 ZINC001177971143 1098658113 /nfs/dbraw/zinc/65/81/13/1098658113.db2.gz QMXQXHMHTFCKSZ-UHFFFAOYSA-N 0 0 310.397 3.140 20 10 DGCDRN CN(C)c1ccc(/C=C\CNc2ccc3c(c2)C(=O)NC3)cc1 ZINC001178025166 1098698278 /nfs/dbraw/zinc/69/82/78/1098698278.db2.gz HBHBOPYROJRNNB-ARJAWSKDSA-N 0 0 307.397 3.121 20 10 DGCDRN Cc1ccc(CC(=O)NCc2c(O)cccc2F)c(Cl)c1 ZINC001178413314 1098827426 /nfs/dbraw/zinc/82/74/26/1098827426.db2.gz QJTFBDNPQKXNRY-UHFFFAOYSA-N 0 0 307.752 3.352 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1ccc([N+](=O)[O-])cc1Cl ZINC001178413254 1098828121 /nfs/dbraw/zinc/82/81/21/1098828121.db2.gz PLOFAMGCCQVRKR-UHFFFAOYSA-N 0 0 324.695 3.023 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1snc(Cl)c1Cl ZINC001178413280 1098828158 /nfs/dbraw/zinc/82/81/58/1098828158.db2.gz PSSIJPRZOUOYEN-UHFFFAOYSA-N 0 0 321.160 3.225 20 10 DGCDRN O=C(NCc1c(O)cccc1O)[C@H]1CCC[C@H]1c1ccccc1 ZINC001178912697 1098970478 /nfs/dbraw/zinc/97/04/78/1098970478.db2.gz WTAMIMCAJRDGRO-GJZGRUSLSA-N 0 0 311.381 3.298 20 10 DGCDRN Cc1cnc(CC(=O)NCc2c(O)ccc3ccccc32)s1 ZINC001179033362 1099007277 /nfs/dbraw/zinc/00/72/77/1099007277.db2.gz VZAVFPLUKZAEHJ-UHFFFAOYSA-N 0 0 312.394 3.169 20 10 DGCDRN COc1cc(NC/C=C\c2ccc(N(C)C)cc2)cnc1OC ZINC001179172869 1099035003 /nfs/dbraw/zinc/03/50/03/1099035003.db2.gz CSOSIKNJPQVJRV-WAYWQWQTSA-N 0 0 313.401 3.290 20 10 DGCDRN CCOC(=O)[C@@]12C[C@@H]1CCN2Cc1ccc(C(C)(C)C)cc1O ZINC001235681716 1099124924 /nfs/dbraw/zinc/12/49/24/1099124924.db2.gz JFJHVTUFFBYLSQ-HNAYVOBHSA-N 0 0 317.429 3.217 20 10 DGCDRN C[C@H](NC(=O)NCCc1cccc2[nH]ccc21)c1ccccc1O ZINC001235723178 1099146193 /nfs/dbraw/zinc/14/61/93/1099146193.db2.gz CQRJPBCZSLYEMU-ZDUSSCGKSA-N 0 0 323.396 3.476 20 10 DGCDRN [O-]c1c(Cl)cccc1CN1CC[NH2+]C[C@H]1c1ccccc1F ZINC001235752461 1099164785 /nfs/dbraw/zinc/16/47/85/1099164785.db2.gz JFFWPKZGEPHQIQ-INIZCTEOSA-N 0 0 320.795 3.331 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)N2CCCc3cc(N)ccc32)cc1 ZINC001180128720 1099307278 /nfs/dbraw/zinc/30/72/78/1099307278.db2.gz QPPIZDLQMBZHMF-KPKJPENVSA-N 0 0 321.424 3.327 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)Nc2ccn3ccnc3c2)cc1 ZINC001180123020 1099320958 /nfs/dbraw/zinc/32/09/58/1099320958.db2.gz KHWOBLMYJBCZSH-VMPITWQZSA-N 0 0 306.369 3.052 20 10 DGCDRN COc1cncc(NC(=O)/C=C/c2ccc(N(C)C)cc2)c1C ZINC001180122612 1099320981 /nfs/dbraw/zinc/32/09/81/1099320981.db2.gz AUKSGZHVOWMCGR-JXMROGBWSA-N 0 0 311.385 3.117 20 10 DGCDRN COC(C)(C)[C@H]1CCCN1C(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180126517 1099323007 /nfs/dbraw/zinc/32/30/07/1099323007.db2.gz WHHFFHBMYKHTEV-JIIJFUIFSA-N 0 0 316.445 3.182 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)Nc2ccc3ncncc3c2)cc1 ZINC001180128194 1099323216 /nfs/dbraw/zinc/32/32/16/1099323216.db2.gz FHJNZOUQZFXNLC-BJMVGYQFSA-N 0 0 318.380 3.348 20 10 DGCDRN Nc1ccc2c(c1)CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C2 ZINC001236109684 1099398375 /nfs/dbraw/zinc/39/83/75/1099398375.db2.gz VRPCTNCJTFEOSB-UHFFFAOYSA-N 0 0 306.768 3.325 20 10 DGCDRN C/C(=C/c1cccnc1)C(=O)NCc1cccc(Cl)c1O ZINC001180420176 1099416194 /nfs/dbraw/zinc/41/61/94/1099416194.db2.gz HRVUHDIIJIAJMG-FLIBITNWSA-N 0 0 302.761 3.160 20 10 DGCDRN COc1c(O)c(CN2c3ccccc3C[C@H]2C)ccc1[N+](=O)[O-] ZINC001180480282 1099419881 /nfs/dbraw/zinc/41/98/81/1099419881.db2.gz ZNQZASQZWDSGGH-LLVKDONJSA-N 0 0 314.341 3.260 20 10 DGCDRN CCCC[C@H]1CN(Cc2ccc(OC)c(Cl)c2[O-])CC[NH2+]1 ZINC001236140762 1099426652 /nfs/dbraw/zinc/42/66/52/1099426652.db2.gz GAMPONCRTKYTOY-ZDUSSCGKSA-N 0 0 312.841 3.018 20 10 DGCDRN Cc1cc(C)c(CNC(=O)[C@@H](C)Oc2ccccc2C)c(O)c1 ZINC001180528399 1099439659 /nfs/dbraw/zinc/43/96/59/1099439659.db2.gz WNIFQHPKIYTZGL-OAHLLOKOSA-N 0 0 313.397 3.401 20 10 DGCDRN C[S@](=O)Cc1ccccc1NCc1cc(F)c(F)cc1O ZINC001180593549 1099468368 /nfs/dbraw/zinc/46/83/68/1099468368.db2.gz OBVKOCKPGGNIHV-NRFANRHFSA-N 0 0 311.353 3.161 20 10 DGCDRN COC(=O)CCc1ccc(NCc2cc(F)ccc2O)cc1 ZINC001180778650 1099506475 /nfs/dbraw/zinc/50/64/75/1099506475.db2.gz GGIVDCSQPGTKRF-UHFFFAOYSA-N 0 0 303.333 3.249 20 10 DGCDRN Cc1cc(C)c(CNC(=O)CCc2cnc3[nH]ccc3c2)c(O)c1 ZINC001187557566 1099534915 /nfs/dbraw/zinc/53/49/15/1099534915.db2.gz IJSWQRFCIAMRBG-UHFFFAOYSA-N 0 0 323.396 3.134 20 10 DGCDRN CN(CC(=O)OCc1ccccc1)Cc1cc(Cl)ccc1O ZINC001203665408 1099560512 /nfs/dbraw/zinc/56/05/12/1099560512.db2.gz IVVBNDHANGNSLQ-UHFFFAOYSA-N 0 0 319.788 3.221 20 10 DGCDRN COc1ccccc1[C@H](C)C(=O)N1CCc2cccc(O)c2C1 ZINC001187679230 1099572825 /nfs/dbraw/zinc/57/28/25/1099572825.db2.gz JVEONENYMXEEEJ-ZDUSSCGKSA-N 0 0 311.381 3.089 20 10 DGCDRN Cc1c(-c2ccn(CC3CC3)c(=O)c2)cnn1-c1ccccc1 ZINC001236405679 1099578920 /nfs/dbraw/zinc/57/89/20/1099578920.db2.gz RJIXIXDJLXMGOR-UHFFFAOYSA-N 0 0 305.381 3.419 20 10 DGCDRN CSc1ccc(NC(=O)NCc2cccc(O)c2O)cc1 ZINC001188126934 1099691362 /nfs/dbraw/zinc/69/13/62/1099691362.db2.gz LMDIPURRNGKSQL-UHFFFAOYSA-N 0 0 304.371 3.141 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NS(=O)(=O)C1CCC1 ZINC001188168456 1099702258 /nfs/dbraw/zinc/70/22/58/1099702258.db2.gz YVIOLCUVKLVPDA-INIZCTEOSA-N 0 0 323.458 3.104 20 10 DGCDRN Cc1cc(C(=O)n2c(=N)ccc(/N=N/c3ccccc3)c2N)c[nH]1 ZINC001188186995 1099706913 /nfs/dbraw/zinc/70/69/13/1099706913.db2.gz AWVGWPYXLKCSRG-XSRZAUOLSA-N 0 0 320.356 3.290 20 10 DGCDRN [O-]c1c(F)ccc(F)c1CN([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236650699 1099721693 /nfs/dbraw/zinc/72/16/93/1099721693.db2.gz DFEWLOMCPBAPBX-ZDUSSCGKSA-N 0 0 310.388 3.167 20 10 DGCDRN COc1ccc(OC)c(NC(=O)NCc2cccc(C)c2O)c1 ZINC001188366973 1099749763 /nfs/dbraw/zinc/74/97/63/1099749763.db2.gz MUZZZSQLIUGSKR-UHFFFAOYSA-N 0 0 316.357 3.040 20 10 DGCDRN CCc1ccc(C[N@H+]2CCC[C@H](C(=O)N(CC)CC)C2)c(O)c1 ZINC001236783137 1099780499 /nfs/dbraw/zinc/78/04/99/1099780499.db2.gz IIPYBHWPANNXDB-KRWDZBQOSA-N 0 0 318.461 3.035 20 10 DGCDRN Oc1cc(Cl)c(Cl)cc1CN1CCOCC12CCC2 ZINC001236800261 1099793737 /nfs/dbraw/zinc/79/37/37/1099793737.db2.gz UWZWXJHXERQFAW-UHFFFAOYSA-N 0 0 302.201 3.454 20 10 DGCDRN CCc1ccc(CN2[C@@H](C(F)(F)F)CCC[C@H]2CO)c(O)c1 ZINC001236784725 1099783574 /nfs/dbraw/zinc/78/35/74/1099783574.db2.gz ZNQZFQMHMKVWIX-DZGCQCFKSA-N 0 0 317.351 3.232 20 10 DGCDRN OCCN(Cc1cc(Cl)c(Cl)cc1O)CC(F)(F)F ZINC001236799842 1099793841 /nfs/dbraw/zinc/79/38/41/1099793841.db2.gz QJQYGWZSGCLNRJ-UHFFFAOYSA-N 0 0 318.122 3.056 20 10 DGCDRN COc1ccc(C[N@@H+]2CC(C)(C)C[C@]2(C)CO)c([O-])c1Cl ZINC001236804206 1099796026 /nfs/dbraw/zinc/79/60/26/1099796026.db2.gz XIANEPIXKAYTBK-MRXNPFEDSA-N 0 0 313.825 3.037 20 10 DGCDRN COc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c([O-])c1Cl ZINC001236801977 1099796104 /nfs/dbraw/zinc/79/61/04/1099796104.db2.gz LXSBAAYWNYIBPK-YPMHNXCESA-N 0 0 311.809 3.055 20 10 DGCDRN COc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c([O-])c1Cl ZINC001236801974 1099796284 /nfs/dbraw/zinc/79/62/84/1099796284.db2.gz LXSBAAYWNYIBPK-DGCLKSJQSA-N 0 0 311.809 3.055 20 10 DGCDRN COc1ccc(C[N@@H+]2CCC[C@]3(CCOC3)C2)c([O-])c1Cl ZINC001236802306 1099796313 /nfs/dbraw/zinc/79/63/13/1099796313.db2.gz SGINBOPVIJSBOA-INIZCTEOSA-N 0 0 311.809 3.057 20 10 DGCDRN CCOC(=O)CN(Cc1cc(Cl)c(Cl)cc1O)C1CC1 ZINC001236802970 1099798071 /nfs/dbraw/zinc/79/80/71/1099798071.db2.gz LDJMBRABGDHLIP-UHFFFAOYSA-N 0 0 318.200 3.227 20 10 DGCDRN COc1ccc(CN2CCC([N@H+](C)C3CC3)CC2)c([O-])c1Cl ZINC001236807098 1099799918 /nfs/dbraw/zinc/79/99/18/1099799918.db2.gz MLHMQNWURMLILH-UHFFFAOYSA-N 0 0 324.852 3.113 20 10 DGCDRN COc1cc(C)c(C[N@@H+]2CCC[C@H]2Cc2ccccn2)c(O)c1 ZINC001236814740 1099802262 /nfs/dbraw/zinc/80/22/62/1099802262.db2.gz VQFSZNSRVDGQNN-INIZCTEOSA-N 0 0 312.413 3.311 20 10 DGCDRN COc1cc(C)c(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)c(O)c1 ZINC001236817099 1099802880 /nfs/dbraw/zinc/80/28/80/1099802880.db2.gz COCVPFJQBRLPRU-CQSZACIVSA-N 0 0 303.324 3.278 20 10 DGCDRN Oc1cc2ccccc2cc1CN1CCO[C@H](C(F)(F)F)C1 ZINC001236834305 1099819317 /nfs/dbraw/zinc/81/93/17/1099819317.db2.gz WCNAVEOZERNENI-HNNXBMFYSA-N 0 0 311.303 3.309 20 10 DGCDRN Clc1cc(N2CCOCC2)ccc1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001236918491 1099877232 /nfs/dbraw/zinc/87/72/32/1099877232.db2.gz JJHOQRQRBQXGGT-DZGCQCFKSA-N 0 0 306.837 3.161 20 10 DGCDRN CCOC(=O)C[N@H+](Cc1ccc(OCC)cc1O)C1CCCC1 ZINC001237046284 1099942423 /nfs/dbraw/zinc/94/24/23/1099942423.db2.gz ADFNUYHLFUDOIJ-UHFFFAOYSA-N 0 0 321.417 3.099 20 10 DGCDRN CN(Cc1ccc(OCC(F)(F)F)cc1O)CC(F)(F)F ZINC001237052235 1099944448 /nfs/dbraw/zinc/94/44/48/1099944448.db2.gz VFJOCZCZFXUXIA-UHFFFAOYSA-N 0 0 317.229 3.327 20 10 DGCDRN COc1cc(O)c(CN2CC(C)(C)C2)c(Br)c1 ZINC001237064122 1099953408 /nfs/dbraw/zinc/95/34/08/1099953408.db2.gz WWGAXOLMJZFKAK-UHFFFAOYSA-N 0 0 300.196 3.005 20 10 DGCDRN C[C@]1(O)CCC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237077717 1099958375 /nfs/dbraw/zinc/95/83/75/1099958375.db2.gz JTXPMZSUVSOPIQ-AWEZNQCLSA-N 0 0 304.217 3.436 20 10 DGCDRN [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001237079535 1099959329 /nfs/dbraw/zinc/95/93/29/1099959329.db2.gz LRUDIGVDJYSFAL-RNCFNFMXSA-N 0 0 302.201 3.310 20 10 DGCDRN CCN(CC[NH+](CC)CC)Cc1c(O)ccc(F)c1Cl ZINC001237125698 1099983778 /nfs/dbraw/zinc/98/37/78/1099983778.db2.gz UGYNKKXZMGNTEX-UHFFFAOYSA-N 0 0 302.821 3.348 20 10 DGCDRN Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC001237140669 1099989989 /nfs/dbraw/zinc/98/99/89/1099989989.db2.gz MWYZRXCJDCLYOS-HNNXBMFYSA-N 0 0 315.335 3.414 20 10 DGCDRN O=C1C[C@H]2CCC[C@@H](C1)N2Cc1cc(C(F)(F)F)ccc1O ZINC001237141031 1099992221 /nfs/dbraw/zinc/99/22/21/1099992221.db2.gz SHQOULOJTWAGDK-BETUJISGSA-N 0 0 313.319 3.497 20 10 DGCDRN Cc1ncc(C[N@@H+](C)Cc2cc(C(F)(F)F)ccc2O)cn1 ZINC001237144001 1099993872 /nfs/dbraw/zinc/99/38/72/1099993872.db2.gz NTPWDJJDJWFOHY-UHFFFAOYSA-N 0 0 311.307 3.141 20 10 DGCDRN CO[C@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237642052 1100199040 /nfs/dbraw/zinc/19/90/40/1100199040.db2.gz XUJOPZYLCZSGBU-KRWDZBQOSA-N 0 0 301.361 3.419 20 10 DGCDRN O=C1CCN(Cc2cc(-c3ccc(F)cc3)ccc2O)C[C@H]1F ZINC001237644906 1100201526 /nfs/dbraw/zinc/20/15/26/1100201526.db2.gz FIAFFJXLSRTTRE-MRXNPFEDSA-N 0 0 317.335 3.311 20 10 DGCDRN Oc1ccc(-c2ccc(F)cc2)cc1CN1CCn2nccc2C1 ZINC001237648717 1100204839 /nfs/dbraw/zinc/20/48/39/1100204839.db2.gz FIKVQJJGUFJATM-UHFFFAOYSA-N 0 0 323.371 3.411 20 10 DGCDRN CCc1n[nH]cc1C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001190142987 1100205878 /nfs/dbraw/zinc/20/58/78/1100205878.db2.gz SMOLPFZMWNSMLE-UHFFFAOYSA-N 0 0 320.396 3.401 20 10 DGCDRN Cc1cc(O)c(CN2CCC(=O)C[C@H]2C)cc1Br ZINC001237678079 1100212828 /nfs/dbraw/zinc/21/28/28/1100212828.db2.gz RVDBVEWACUVZQK-SNVBAGLBSA-N 0 0 312.207 3.017 20 10 DGCDRN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(CCC(=O)O3)C2)c1O ZINC001237687453 1100214595 /nfs/dbraw/zinc/21/45/95/1100214595.db2.gz BQHFBQDJTPWUPM-MRXNPFEDSA-N 0 0 309.793 3.026 20 10 DGCDRN CCN(CC[NH+]1CCCC1)Cc1cc(F)cc(Cl)c1[O-] ZINC001237798768 1100251694 /nfs/dbraw/zinc/25/16/94/1100251694.db2.gz NHDGOKKEJYIYDA-UHFFFAOYSA-N 0 0 300.805 3.102 20 10 DGCDRN [O-]c1cc(Cl)c(F)cc1C[NH+]1CCC(n2ccnc2)CC1 ZINC001237949481 1100300768 /nfs/dbraw/zinc/30/07/68/1100300768.db2.gz MTGYIUOFLBSCFZ-UHFFFAOYSA-N 0 0 309.772 3.218 20 10 DGCDRN Cc1cc(F)cc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1O ZINC001238058379 1100346576 /nfs/dbraw/zinc/34/65/76/1100346576.db2.gz RFKRBMHIBSKNDP-AWEZNQCLSA-N 0 0 321.314 3.119 20 10 DGCDRN Cc1c[nH]c(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)n1 ZINC001191103782 1100401114 /nfs/dbraw/zinc/40/11/14/1100401114.db2.gz ZCKVIRLTLPXEHL-UHFFFAOYSA-N 0 0 306.369 3.147 20 10 DGCDRN O=S(=O)(CC1CCCC1)NCc1cc2ccccc2cc1O ZINC001191553803 1100486853 /nfs/dbraw/zinc/48/68/53/1100486853.db2.gz QLJHGKOTBHHCCY-UHFFFAOYSA-N 0 0 319.426 3.155 20 10 DGCDRN COc1ccc(N(CCc2ccccc2)Cc2cn(C)nn2)cc1 ZINC001191891210 1100540327 /nfs/dbraw/zinc/54/03/27/1100540327.db2.gz FNBVRLPPXVDGJA-UHFFFAOYSA-N 0 0 322.412 3.073 20 10 DGCDRN O=C(Nc1ccc(OC(F)F)cc1)Nc1cccc(O)c1O ZINC001192176881 1100587232 /nfs/dbraw/zinc/58/72/32/1100587232.db2.gz SZCVLIPFDORJNW-UHFFFAOYSA-N 0 0 310.256 3.343 20 10 DGCDRN Cc1cnncc1C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001192936223 1100683389 /nfs/dbraw/zinc/68/33/89/1100683389.db2.gz XDTKIHOEHHZPSN-UHFFFAOYSA-N 0 0 318.380 3.214 20 10 DGCDRN O=C(NC[C@@H]1CCCC(F)(F)C1)c1ccc(O)c(O)c1Cl ZINC001193246727 1100720643 /nfs/dbraw/zinc/72/06/43/1100720643.db2.gz ARANTTLNCFBKIO-MRVPVSSYSA-N 0 0 319.735 3.307 20 10 DGCDRN CCN(c1ccccc1)c1cc(-c2ccc(N)nc2F)ncn1 ZINC001239820081 1100766178 /nfs/dbraw/zinc/76/61/78/1100766178.db2.gz YTBSVZUIVMONSY-UHFFFAOYSA-N 0 0 309.348 3.418 20 10 DGCDRN CCCCOC(=O)N1CCN(c2ccc(OC)cc2C)CC1 ZINC001193694420 1100783128 /nfs/dbraw/zinc/78/31/28/1100783128.db2.gz UWZDCQDGLZNVRX-UHFFFAOYSA-N 0 0 306.406 3.062 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2ccnc(C(F)F)c2)c(O)c1 ZINC001193661543 1100786954 /nfs/dbraw/zinc/78/69/54/1100786954.db2.gz BUGXPJPVVPYGKR-UHFFFAOYSA-N 0 0 306.312 3.272 20 10 DGCDRN COc1cc(F)c(C(=O)NCc2c(C)cc(C)cc2O)cc1F ZINC001193986892 1100849827 /nfs/dbraw/zinc/84/98/27/1100849827.db2.gz JXQASGQJYRXBIC-UHFFFAOYSA-N 0 0 321.323 3.226 20 10 DGCDRN c1cn2cc(-c3cc(N4CCc5ccccc54)ncn3)ccc2n1 ZINC001240217316 1100899257 /nfs/dbraw/zinc/89/92/57/1100899257.db2.gz MMGXRMWRGNRLCY-UHFFFAOYSA-N 0 0 313.364 3.486 20 10 DGCDRN COc1ccc(OC(=O)NCc2c(C)cc(C)cc2O)cc1 ZINC001194558136 1100965230 /nfs/dbraw/zinc/96/52/30/1100965230.db2.gz RCUFVQMXSLZMJD-UHFFFAOYSA-N 0 0 301.342 3.306 20 10 DGCDRN O=C(NCc1ccccc1O)Oc1ccc(Br)cc1 ZINC001194607430 1100975451 /nfs/dbraw/zinc/97/54/51/1100975451.db2.gz MDTKCEHCASTEDG-UHFFFAOYSA-N 0 0 322.158 3.443 20 10 DGCDRN Cn1ccc2ccc(-c3ccc(=O)n(-c4cccnc4)c3)cc21 ZINC001240576700 1101056651 /nfs/dbraw/zinc/05/66/51/1101056651.db2.gz KIJODOZMAPVZAP-UHFFFAOYSA-N 0 0 301.349 3.391 20 10 DGCDRN Cc1cc(O)cc(C)c1NS(=O)(=O)CC[Si](C)(C)C ZINC001195073564 1101064329 /nfs/dbraw/zinc/06/43/29/1101064329.db2.gz FPKGWDTYXONVRH-UHFFFAOYSA-N 0 0 301.484 3.089 20 10 DGCDRN CCn1cc(-c2ncccc2C(=O)N2CCc3ccccc32)cn1 ZINC001240648519 1101083028 /nfs/dbraw/zinc/08/30/28/1101083028.db2.gz ZBEPCPMXDXGECU-UHFFFAOYSA-N 0 0 318.380 3.168 20 10 DGCDRN O=C(N[C@H]1[C@@H]2COC[C@@H]21)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195277096 1101112009 /nfs/dbraw/zinc/11/20/09/1101112009.db2.gz BBKRLGJFJLSMFG-YKXBSJQMSA-N 0 0 323.352 3.182 20 10 DGCDRN COCCn1ccc2c1ncnc2-c1cccc2cccnc21 ZINC001240891657 1101170342 /nfs/dbraw/zinc/17/03/42/1101170342.db2.gz JQGROMNCGICLKX-UHFFFAOYSA-N 0 0 304.353 3.293 20 10 DGCDRN Cc1c[nH]c2ncc(-c3nnc(C)cc3-c3nccn3C)cc12 ZINC001240951507 1101193920 /nfs/dbraw/zinc/19/39/20/1101193920.db2.gz YTSMTWXEJIEWCS-UHFFFAOYSA-N 0 0 304.357 3.037 20 10 DGCDRN Cc1coc(C(=O)N[C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)n1 ZINC001195765790 1101193876 /nfs/dbraw/zinc/19/38/76/1101193876.db2.gz HMUBNKKURXFFDV-OAHLLOKOSA-N 0 0 314.385 3.359 20 10 DGCDRN CC(C)Oc1ccnc(CNC(=S)Nc2ccccc2F)c1 ZINC001195802193 1101205640 /nfs/dbraw/zinc/20/56/40/1101205640.db2.gz YPSNKSWIECSGOV-UHFFFAOYSA-N 0 0 319.405 3.495 20 10 DGCDRN Cc1cc(F)ccc1NC(=S)NCc1ncc(F)cc1F ZINC001196143521 1101256485 /nfs/dbraw/zinc/25/64/85/1101256485.db2.gz TZITXZYTZLFHAB-UHFFFAOYSA-N 0 0 311.332 3.294 20 10 DGCDRN Cc1cccc(NC(=S)NCc2ccc(O)cc2O)c1C ZINC001196433624 1101300083 /nfs/dbraw/zinc/30/00/83/1101300083.db2.gz AFNKOXSCLIVFAA-UHFFFAOYSA-N 0 0 302.399 3.201 20 10 DGCDRN COc1cnc2c(c1)ncnc2C1=CCN(c2ccccc2)CC1 ZINC001241345916 1101393137 /nfs/dbraw/zinc/39/31/37/1101393137.db2.gz LOFYQSVJOQCWGI-UHFFFAOYSA-N 0 0 318.380 3.327 20 10 DGCDRN CON(C)C(=O)c1ccc(C2=CCN(c3ccccc3)CC2)cn1 ZINC001241354657 1101397660 /nfs/dbraw/zinc/39/76/60/1101397660.db2.gz OAJUHJIBKIGRKR-UHFFFAOYSA-N 0 0 323.396 3.009 20 10 DGCDRN COC(=O)c1c(F)cncc1C1=CCN(c2ccccc2)CC1 ZINC001241355364 1101399887 /nfs/dbraw/zinc/39/98/87/1101399887.db2.gz MHZDLUDXJMPUNT-UHFFFAOYSA-N 0 0 312.344 3.301 20 10 DGCDRN CN(C)c1ccc(-c2cc(N(C)c3ccccc3)ncn2)cn1 ZINC001241369098 1101409443 /nfs/dbraw/zinc/40/94/43/1101409443.db2.gz JPYIAMMLXUJEGA-UHFFFAOYSA-N 0 0 305.385 3.373 20 10 DGCDRN O=c1cc(-c2cccc3c[nH]nc32)ccn1Cc1ccccc1 ZINC001241624944 1101589701 /nfs/dbraw/zinc/58/97/01/1101589701.db2.gz NIFOLWWNXPBGOZ-UHFFFAOYSA-N 0 0 301.349 3.440 20 10 DGCDRN CSc1ccc(-c2ccn(Cc3ccncc3)c(=O)c2)cn1 ZINC001241637141 1101598301 /nfs/dbraw/zinc/59/83/01/1101598301.db2.gz ROWVBMDSCFHGQZ-UHFFFAOYSA-N 0 0 309.394 3.076 20 10 DGCDRN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)Cc1ccccn1 ZINC001197821748 1101684330 /nfs/dbraw/zinc/68/43/30/1101684330.db2.gz YYJNKLABEQPACN-UHFFFAOYSA-N 0 0 320.414 3.161 20 10 DGCDRN CC(=O)Nc1cccc(NC(=O)N[C@H](C)c2ccccc2O)c1 ZINC001197861462 1101697157 /nfs/dbraw/zinc/69/71/57/1101697157.db2.gz KZOZHHDNIQQMOI-LLVKDONJSA-N 0 0 313.357 3.233 20 10 DGCDRN Cn1ccc2c1cccc2-c1cccn(C2CCOCC2)c1=O ZINC001241823378 1101729027 /nfs/dbraw/zinc/72/90/27/1101729027.db2.gz OGRFMLUVVBJVFD-UHFFFAOYSA-N 0 0 308.381 3.359 20 10 DGCDRN CN(C)c1ccc(NC(=S)NCc2ncccc2Cl)cc1 ZINC001198776253 1101983187 /nfs/dbraw/zinc/98/31/87/1101983187.db2.gz MDGIJEOYNLRSNP-UHFFFAOYSA-N 0 0 320.849 3.288 20 10 DGCDRN Cn1c(=O)ccc2ccc(-c3ccc(OCC4CC4)nc3)cc21 ZINC001242216256 1101989586 /nfs/dbraw/zinc/98/95/86/1101989586.db2.gz HFIQLFSNBXQDSX-UHFFFAOYSA-N 0 0 306.365 3.389 20 10 DGCDRN Cc1c2ccc(C(=O)NCc3c(C)cc(C)cc3O)cc2nn1C ZINC001199799231 1102215477 /nfs/dbraw/zinc/21/54/77/1102215477.db2.gz LRCZRYXURSRIRO-UHFFFAOYSA-N 0 0 323.396 3.134 20 10 DGCDRN COCCn1ccc2c1ncnc2-c1cnc2sccc2c1 ZINC001242678740 1102282543 /nfs/dbraw/zinc/28/25/43/1102282543.db2.gz OJSOPUODHPGJLR-UHFFFAOYSA-N 0 0 310.382 3.354 20 10 DGCDRN Cc1nc2c(ccn2C)c(-c2cccnc2C(=O)OC(C)(C)C)n1 ZINC001242868735 1102389431 /nfs/dbraw/zinc/38/94/31/1102389431.db2.gz IRALLFCGNQYUHI-UHFFFAOYSA-N 0 0 324.384 3.294 20 10 DGCDRN Cc1c(C)n(Cc2ccccc2)c2ncnc(-c3cncn3C)c12 ZINC001243067177 1102506938 /nfs/dbraw/zinc/50/69/38/1102506938.db2.gz IZJYQKHDCXPGOH-UHFFFAOYSA-N 0 0 317.396 3.497 20 10 DGCDRN CC(C)(C)NS(=O)(=O)c1cccc(Nc2ccc(N)cc2)c1 ZINC001201243409 1102526206 /nfs/dbraw/zinc/52/62/06/1102526206.db2.gz UOSJZWWPOYOCOP-UHFFFAOYSA-N 0 0 319.430 3.089 20 10 DGCDRN CSc1ccncc1NCc1ccc(N2CCOCC2)cc1 ZINC001201586899 1102662864 /nfs/dbraw/zinc/66/28/64/1102662864.db2.gz HTGKKLDKYBKPKF-UHFFFAOYSA-N 0 0 315.442 3.252 20 10 DGCDRN CS(=O)(=O)N(c1ccc(N)cc1)c1ccc(C2CC2)cc1 ZINC001201683164 1102679447 /nfs/dbraw/zinc/67/94/47/1102679447.db2.gz AJTZPPXROQWHMZ-UHFFFAOYSA-N 0 0 302.399 3.244 20 10 DGCDRN O=c1cc(-c2cccnc2C2CC2)ccn1Cc1cccnc1 ZINC001243691247 1102917439 /nfs/dbraw/zinc/91/74/39/1102917439.db2.gz NBGZJIWPHNJSFU-UHFFFAOYSA-N 0 0 303.365 3.231 20 10 DGCDRN CC(C)(C)NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001202468762 1103005526 /nfs/dbraw/zinc/00/55/26/1103005526.db2.gz DKNTVYYVFUSFCO-UHFFFAOYSA-N 0 0 322.364 3.382 20 10 DGCDRN Cc1cc(C)c2c(N)c(C(=O)OCC[C@H]3CCOC3)sc2n1 ZINC001325446913 1103036441 /nfs/dbraw/zinc/03/64/41/1103036441.db2.gz NIPANAARTSLVTL-LLVKDONJSA-N 0 0 320.414 3.079 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)c1scnc1C1CC1 ZINC001326037380 1103188466 /nfs/dbraw/zinc/18/84/66/1103188466.db2.gz GKVKYVRFIBEPJL-UHFFFAOYSA-N 0 0 320.761 3.462 20 10 DGCDRN Cn1ccc2c1ncnc2-c1cc(OC(F)(F)F)ccc1N ZINC001244182200 1103262235 /nfs/dbraw/zinc/26/22/35/1103262235.db2.gz FWVUYPZCOUQPRT-UHFFFAOYSA-N 0 0 308.263 3.116 20 10 DGCDRN Cc1cc(C(=O)NCC2=CCOCC2)c(C)n1-c1cccc(C)c1 ZINC001326545710 1103361934 /nfs/dbraw/zinc/36/19/34/1103361934.db2.gz VFPHCCKVJHXOOI-UHFFFAOYSA-N 0 0 324.424 3.479 20 10 DGCDRN Nc1ncc(Nc2ccccc2C(=O)c2ccc(F)cc2)cn1 ZINC001212962259 1103413233 /nfs/dbraw/zinc/41/32/33/1103413233.db2.gz JGDXQIVASGUPKF-UHFFFAOYSA-N 0 0 308.316 3.173 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CC[C@H]2C)cc1 ZINC001326882384 1103469269 /nfs/dbraw/zinc/46/92/69/1103469269.db2.gz LBYKLOYMJQUXCD-RHSMWYFYSA-N 0 0 303.450 3.473 20 10 DGCDRN Cc1cc(Cl)c(N)c(-c2nnc(C)cc2-c2nccn2C)c1 ZINC001244570481 1103531707 /nfs/dbraw/zinc/53/17/07/1103531707.db2.gz RRJGQAPTIXKGBE-UHFFFAOYSA-N 0 0 313.792 3.397 20 10 DGCDRN Cc1nc2c(ccn2C)c(-c2cnc(Br)s2)n1 ZINC001244903459 1103751142 /nfs/dbraw/zinc/75/11/42/1103751142.db2.gz ALPMJGPGQWSRGJ-UHFFFAOYSA-N 0 0 309.192 3.163 20 10 DGCDRN COCCn1ccc2c1ncnc2-c1cnc(Cl)cc1C ZINC001244914661 1103757691 /nfs/dbraw/zinc/75/76/91/1103757691.db2.gz GCVVXMBCXQALSE-UHFFFAOYSA-N 0 0 302.765 3.102 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCC[C@@H](F)C2)c1 ZINC001328144023 1103860159 /nfs/dbraw/zinc/86/01/59/1103860159.db2.gz YOWXWVHFWQWICV-QJPTWQEYSA-N 0 0 310.369 3.042 20 10 DGCDRN Cc1cc(C(=O)N2CC[C@H](F)C2)c(C)n1-c1ccc(F)cc1 ZINC001328151936 1103861652 /nfs/dbraw/zinc/86/16/52/1103861652.db2.gz SZXJREWPHATWEQ-AWEZNQCLSA-N 0 0 304.340 3.417 20 10 DGCDRN C[C@]1(c2ccccc2)C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001137066876 1103949752 /nfs/dbraw/zinc/94/97/52/1103949752.db2.gz GQJRRUQRIFCIFI-CRAIPNDOSA-N 0 0 322.368 3.309 20 10 DGCDRN COc1ccc(CNc2cc(OC)c(C)cc2[N+](=O)[O-])c(O)c1 ZINC001328558124 1103980625 /nfs/dbraw/zinc/98/06/25/1103980625.db2.gz RFPMGLWPSYGWFP-UHFFFAOYSA-N 0 0 318.329 3.238 20 10 DGCDRN N=c1ccc(N=Nc2ccccc2)c(N)n1-c1cccc(=O)[nH]1 ZINC001212787700 1104032015 /nfs/dbraw/zinc/03/20/15/1104032015.db2.gz OGHBTNODTSGCTC-KXWSGKLSSA-N 0 0 306.329 3.055 20 10 DGCDRN CSc1cccnc1NC(=O)NCc1cc(C)ccc1O ZINC001626130977 1104077631 /nfs/dbraw/zinc/07/76/31/1104077631.db2.gz DMXBLHIGLAGCEB-UHFFFAOYSA-N 0 0 303.387 3.139 20 10 DGCDRN CCN(c1ccccc1)c1cc(-c2ccc3nncn3c2)ncn1 ZINC001245658815 1104182864 /nfs/dbraw/zinc/18/28/64/1104182864.db2.gz KKHQYOQOMISAGF-UHFFFAOYSA-N 0 0 316.368 3.344 20 10 DGCDRN Cc1cccnc1/C=C/C(=O)Nc1c2nonc2ccc1Cl ZINC001329519025 1104296430 /nfs/dbraw/zinc/29/64/30/1104296430.db2.gz PQDZZBJPISQJCQ-VOTSOKGWSA-N 0 0 314.732 3.232 20 10 DGCDRN CN(C)c1cc(F)c(CNc2cnn(CC(F)F)c2)cc1F ZINC001329710352 1104369686 /nfs/dbraw/zinc/36/96/86/1104369686.db2.gz IHFIMJBWNDVTLO-UHFFFAOYSA-N 0 0 316.302 3.105 20 10 DGCDRN CC[C@H](C)NC(=O)[C@H]1CC12CCN(c1ccc(OC)cc1)CC2 ZINC001274790847 1104490285 /nfs/dbraw/zinc/49/02/85/1104490285.db2.gz MGOWSNBJESOIPF-WMLDXEAASA-N 0 0 316.445 3.216 20 10 DGCDRN CCCCN1CC[C@]2(CCN(c3ccc(OCC)cc3)C2)C1=O ZINC001274793810 1104499674 /nfs/dbraw/zinc/49/96/74/1104499674.db2.gz KYCJIJZFQWVUFN-LJQANCHMSA-N 0 0 316.445 3.314 20 10 DGCDRN CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2c1ccc(OC)c(F)c1 ZINC001274862669 1104523676 /nfs/dbraw/zinc/52/36/76/1104523676.db2.gz YJABDMXSDUILQD-APHBMKBZSA-N 0 0 320.408 3.203 20 10 DGCDRN CCCCN1CC[C@]2(CCN(c3ccc(OC)cc3C)C2)C1=O ZINC001274874368 1104526679 /nfs/dbraw/zinc/52/66/79/1104526679.db2.gz IAAZSMFJMRLKRR-LJQANCHMSA-N 0 0 316.445 3.233 20 10 DGCDRN CS[C@H]1CCC[C@@H](NC(=O)NCc2cc(C)ccc2O)C1 ZINC001330699270 1104623474 /nfs/dbraw/zinc/62/34/74/1104623474.db2.gz SWPOFTZTMLVVLA-KGLIPLIRSA-N 0 0 308.447 3.174 20 10 DGCDRN Fc1cccc(F)c1NC(=S)NCc1cccc2ccnn21 ZINC001247100454 1104801338 /nfs/dbraw/zinc/80/13/38/1104801338.db2.gz HWZLJXCDSNCUMJ-UHFFFAOYSA-N 0 0 318.352 3.099 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2noc(C(C)(C)CO)n2)cc1 ZINC001247519736 1104917667 /nfs/dbraw/zinc/91/76/67/1104917667.db2.gz FOQUIARGVBMNOE-UHFFFAOYSA-N 0 0 311.385 3.414 20 10 DGCDRN Oc1ccc(Cc2nc(-c3cc(F)ccc3F)no2)cc1O ZINC001247959806 1105021613 /nfs/dbraw/zinc/02/16/13/1105021613.db2.gz YQPOBFLLIBZDEX-UHFFFAOYSA-N 0 0 304.252 3.017 20 10 DGCDRN CC(=O)c1ccc(-c2noc(Cc3ccc(N)cc3)n2)c(F)c1 ZINC001248183723 1105062513 /nfs/dbraw/zinc/06/25/13/1105062513.db2.gz LORAOIRAMPZLCR-UHFFFAOYSA-N 0 0 311.316 3.251 20 10 DGCDRN Nc1ccc(Cc2nc(-c3ccc(F)c(F)c3F)no2)cc1 ZINC001248187916 1105063547 /nfs/dbraw/zinc/06/35/47/1105063547.db2.gz SXUQKFIAODQFGT-UHFFFAOYSA-N 0 0 305.259 3.327 20 10 DGCDRN COc1nccc(Cl)c1CN1CCc2cccc(O)c2C1 ZINC001248795490 1105163113 /nfs/dbraw/zinc/16/31/13/1105163113.db2.gz GYMIAFBEHFQGAG-UHFFFAOYSA-N 0 0 304.777 3.008 20 10 DGCDRN CC(C)(C)c1cc(O)c(CN2CC[C@@H](O)[C@H](F)C2)cc1Cl ZINC001248881190 1105185956 /nfs/dbraw/zinc/18/59/56/1105185956.db2.gz SCUUEVDBKVKROZ-ZIAGYGMSSA-N 0 0 315.816 3.248 20 10 DGCDRN CCc1cccc(C)c1NC(=S)NCc1ncccc1OC ZINC001249574360 1105319699 /nfs/dbraw/zinc/31/96/99/1105319699.db2.gz MPFLLRCXFAKNMD-UHFFFAOYSA-N 0 0 315.442 3.448 20 10 DGCDRN Cc1ccc2ncc(CN3CCCc4cc(O)c(O)cc4C3)n2c1 ZINC001137310910 1105478671 /nfs/dbraw/zinc/47/86/71/1105478671.db2.gz XRHUEEZKJZWYRG-UHFFFAOYSA-N 0 0 323.396 3.002 20 10 DGCDRN COc1cc(-c2nc3c(cc(F)cc3Cl)[nH]2)cc(O)c1O ZINC001250488022 1105523240 /nfs/dbraw/zinc/52/32/40/1105523240.db2.gz BDYCFDCONFQSHX-UHFFFAOYSA-N 0 0 308.696 3.442 20 10 DGCDRN COc1cccc(C(F)F)c1C(=O)NCc1ccccc1O ZINC001137471733 1105528179 /nfs/dbraw/zinc/52/81/79/1105528179.db2.gz YNYAJVMMFWYQPW-UHFFFAOYSA-N 0 0 307.296 3.268 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3ccncc3c2)c1 ZINC001137473470 1105528592 /nfs/dbraw/zinc/52/85/92/1105528592.db2.gz KKWQAHCOMFSTAK-GFCCVEGCSA-N 0 0 322.364 3.440 20 10 DGCDRN CCOc1cccc2[nH]c(-c3ccc(N4CCOCC4)cc3)nc21 ZINC001250704057 1105563395 /nfs/dbraw/zinc/56/33/95/1105563395.db2.gz MLVQLNMVHSXONJ-UHFFFAOYSA-N 0 0 323.396 3.465 20 10 DGCDRN CC(C)c1ccc(OC[C@@H](O)CNc2cccc(O)c2O)cc1 ZINC001250763539 1105579227 /nfs/dbraw/zinc/57/92/27/1105579227.db2.gz JQZBCUNPZZXFFS-AWEZNQCLSA-N 0 0 317.385 3.073 20 10 DGCDRN Oc1cc(O)c(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1O ZINC001251355559 1105652556 /nfs/dbraw/zinc/65/25/56/1105652556.db2.gz TYIPWRXOPJBDDK-UHFFFAOYSA-N 0 0 310.231 3.366 20 10 DGCDRN Oc1cc(O)c(-c2nc3cc(F)ccc3n2C2CC2)cc1O ZINC001251355457 1105652821 /nfs/dbraw/zinc/65/28/21/1105652821.db2.gz MEFXUVFIPJMRTD-UHFFFAOYSA-N 0 0 300.289 3.294 20 10 DGCDRN Oc1ccc(/C=C/c2nnc(Cc3ccc(F)cc3)o2)cc1O ZINC001251898166 1105707475 /nfs/dbraw/zinc/70/74/75/1105707475.db2.gz ROEOLHOQPJVQKJ-XBXARRHUSA-N 0 0 312.300 3.381 20 10 DGCDRN CCC(C)(C)NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001251981659 1105718812 /nfs/dbraw/zinc/71/88/12/1105718812.db2.gz OTBZFYRBNQELNN-CQSZACIVSA-N 0 0 305.466 3.480 20 10 DGCDRN CCS(=O)(=O)Nc1ccccc1C(=O)c1cc(C)cc(C)c1 ZINC001253373679 1105931196 /nfs/dbraw/zinc/93/11/96/1105931196.db2.gz GMXGHHWEHGIHAQ-UHFFFAOYSA-N 0 0 317.410 3.296 20 10 DGCDRN Oc1ccc(-c2nnc(Cc3cccc(Cl)c3)o2)c(O)c1O ZINC001254415049 1106067429 /nfs/dbraw/zinc/06/74/29/1106067429.db2.gz JOCRVWLDMLXCQM-UHFFFAOYSA-N 0 0 318.716 3.098 20 10 DGCDRN CCN(Cc1ccccc1O)S(=O)(=O)c1cc(C)ccc1C ZINC001254757341 1106139399 /nfs/dbraw/zinc/13/93/99/1106139399.db2.gz GEPKORWGDUOTNL-UHFFFAOYSA-N 0 0 319.426 3.220 20 10 DGCDRN Cc1cccc(CNS(=O)(=O)c2ccc(C(C)C)cc2)c1O ZINC001255381616 1106236398 /nfs/dbraw/zinc/23/63/98/1106236398.db2.gz HYGVNURAVXRQPK-UHFFFAOYSA-N 0 0 319.426 3.303 20 10 DGCDRN C[C@H](NS(=O)(=O)c1ccccc1Cl)c1ccccc1O ZINC001256347417 1106407851 /nfs/dbraw/zinc/40/78/51/1106407851.db2.gz WBHYNJLZDSUCCV-JTQLQIEISA-N 0 0 311.790 3.085 20 10 DGCDRN O=S(=O)(Nc1cc(F)c(O)c(F)c1)c1cccc(Cl)c1 ZINC001256790173 1106483821 /nfs/dbraw/zinc/48/38/21/1106483821.db2.gz CYPSEUKUWGCSFV-UHFFFAOYSA-N 0 0 319.716 3.125 20 10 DGCDRN Cn1cc(CCc2nnc(-c3ccc(-n4cccc4)cc3)o2)cn1 ZINC001256931205 1106514083 /nfs/dbraw/zinc/51/40/83/1106514083.db2.gz QVTLKYFIGZNKOB-UHFFFAOYSA-N 0 0 319.368 3.046 20 10 DGCDRN O=c1cccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)[nH]1 ZINC001256940955 1106514486 /nfs/dbraw/zinc/51/44/86/1106514486.db2.gz PEUWZQDUBLHFJC-UHFFFAOYSA-N 0 0 304.309 3.295 20 10 DGCDRN FCCn1cc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)cn1 ZINC001256978334 1106519710 /nfs/dbraw/zinc/51/97/10/1106519710.db2.gz GAFVGUMFLKKWQC-UHFFFAOYSA-N 0 0 323.331 3.360 20 10 DGCDRN FCCn1ccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)n1 ZINC001256978405 1106519870 /nfs/dbraw/zinc/51/98/70/1106519870.db2.gz HWTOINCZCYQZJG-UHFFFAOYSA-N 0 0 323.331 3.360 20 10 DGCDRN Cc1ccc([C@H]2C[C@@H]2c2nnc(-c3ccc(O)c(O)c3O)o2)cc1 ZINC001257209711 1106551395 /nfs/dbraw/zinc/55/13/95/1106551395.db2.gz NZWAIUSAKOQFNT-OLZOCXBDSA-N 0 0 324.336 3.433 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001320031954 1106799737 /nfs/dbraw/zinc/79/97/37/1106799737.db2.gz UMVDVDYBMPFVOJ-VKGGURKZSA-N 0 0 301.386 3.150 20 10 DGCDRN CCC[C@](C)(NCc1ccc(N2CCCC2)cc1)C(=O)OC ZINC001320227943 1106934011 /nfs/dbraw/zinc/93/40/11/1106934011.db2.gz ILFZXGPPJNRDBZ-SFHVURJKSA-N 0 0 304.434 3.108 20 10 DGCDRN CN(C)[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001320640534 1107084131 /nfs/dbraw/zinc/08/41/31/1107084131.db2.gz SJSVFOCVXOSFKO-KGLIPLIRSA-N 0 0 300.805 3.147 20 10 DGCDRN COCc1cccc(C(=O)Nc2c3nonc3ccc2Cl)c1 ZINC001320978642 1107212321 /nfs/dbraw/zinc/21/23/21/1107212321.db2.gz QQKISTZEMMJFRE-UHFFFAOYSA-N 0 0 317.732 3.275 20 10 DGCDRN Cc1ccccc1CS(=O)(=O)Nc1c(C)cc(O)cc1C ZINC001260022881 1107240263 /nfs/dbraw/zinc/24/02/63/1107240263.db2.gz SXHZHCHAVMJQQQ-UHFFFAOYSA-N 0 0 305.399 3.259 20 10 DGCDRN CC[C@@H](C)S(=O)(=O)Nc1cccc2c1C(=O)c1ccccc1-2 ZINC001260742002 1107309885 /nfs/dbraw/zinc/30/98/85/1107309885.db2.gz VNLBDSPIILLMIP-LLVKDONJSA-N 0 0 315.394 3.438 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@@H](OC)C1 ZINC001321309245 1107319179 /nfs/dbraw/zinc/31/91/79/1107319179.db2.gz BYPBXYFXXVCCJV-HZPDHXFCSA-N 0 0 320.433 3.271 20 10 DGCDRN O=C(/C=C\c1ccccc1F)NCc1ccc2cccnc2c1O ZINC001299726012 1107334407 /nfs/dbraw/zinc/33/44/07/1107334407.db2.gz PQVPXKKSWYOHCQ-KTKRTIGZSA-N 0 0 322.339 3.409 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)c1cc(F)cc(F)c1 ZINC001321388288 1107339022 /nfs/dbraw/zinc/33/90/22/1107339022.db2.gz ILUFFRNSBMNRRB-UHFFFAOYSA-N 0 0 309.659 3.407 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2CCC[C@@H](F)C2)c(C)n1-c1ccccn1 ZINC001261499187 1107450990 /nfs/dbraw/zinc/45/09/90/1107450990.db2.gz DPJJFPWBAZSBPJ-HUUCEWRRSA-N 0 0 315.392 3.500 20 10 DGCDRN Cc1noc([C@H](C)N(C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001261554112 1107463843 /nfs/dbraw/zinc/46/38/43/1107463843.db2.gz UJPOHABCUJPALE-ZDUSSCGKSA-N 0 0 300.406 3.171 20 10 DGCDRN Cc1cc(CC(=O)NC2CCC(=O)CC2)c(C)n1-c1ccccc1 ZINC001262189551 1107644976 /nfs/dbraw/zinc/64/49/76/1107644976.db2.gz IDPRPIHSKGAOOS-UHFFFAOYSA-N 0 0 324.424 3.265 20 10 DGCDRN CC(C)(C)c1csc(CNC(=O)NCc2ccc(N)cc2)n1 ZINC001262570350 1107726909 /nfs/dbraw/zinc/72/69/09/1107726909.db2.gz TZZRPDLLWLIGIL-UHFFFAOYSA-N 0 0 318.446 3.022 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)c2ccns2)C2CC2)cc1 ZINC001262592164 1107732544 /nfs/dbraw/zinc/73/25/44/1107732544.db2.gz IQDRBGYJCVDVHD-UHFFFAOYSA-N 0 0 301.415 3.014 20 10 DGCDRN CC[C@H](F)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC001262605539 1107737564 /nfs/dbraw/zinc/73/75/64/1107737564.db2.gz CXJWTAQNCQVXOS-IRXDYDNUSA-N 0 0 322.424 3.008 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)c3ccns3)cc2)CC1 ZINC001262607546 1107737763 /nfs/dbraw/zinc/73/77/63/1107737763.db2.gz DMTHMYFCDNNUBE-UHFFFAOYSA-N 0 0 315.442 3.309 20 10 DGCDRN C[C@@H]1CCc2nc(NC(=O)NCc3ccccc3O)sc2C1 ZINC001318221946 1107906162 /nfs/dbraw/zinc/90/61/62/1107906162.db2.gz YEYQETYABRKGNR-SNVBAGLBSA-N 0 0 317.414 3.295 20 10 DGCDRN Cc1ccc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)n1C ZINC001318556658 1108094008 /nfs/dbraw/zinc/09/40/08/1108094008.db2.gz ZBVIMHOMEJFXCF-UHFFFAOYSA-N 0 0 322.412 3.066 20 10 DGCDRN Cc1cccc(F)c1C(=O)Nc1cccc(N2CCOCC2)c1 ZINC001323870537 1108109073 /nfs/dbraw/zinc/10/90/73/1108109073.db2.gz NSTUYHTUDLRSLE-UHFFFAOYSA-N 0 0 314.360 3.223 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCC(F)F ZINC001263789429 1108201335 /nfs/dbraw/zinc/20/13/35/1108201335.db2.gz LCWRIPVYDMPBMN-UHFFFAOYSA-N 0 0 313.392 3.328 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC(C)(C)C1(C)C ZINC001318909500 1108234961 /nfs/dbraw/zinc/23/49/61/1108234961.db2.gz LZAAGVJELXQTDR-UHFFFAOYSA-N 0 0 303.450 3.391 20 10 DGCDRN O=C(NCc1cccc(O)c1O)[C@H]1C[C@]12CCCc1ccccc12 ZINC001263894366 1108286715 /nfs/dbraw/zinc/28/67/15/1108286715.db2.gz CWJLEDJOSMTJES-UZLBHIALSA-N 0 0 323.392 3.008 20 10 DGCDRN Cc1cccc(F)c1C(=O)NCc1ccc2c(c1)CCCN2C ZINC001319057110 1108296839 /nfs/dbraw/zinc/29/68/39/1108296839.db2.gz GLSVYAARNDAOQO-UHFFFAOYSA-N 0 0 312.388 3.447 20 10 DGCDRN CCC[C@H](C)C(=O)N1CCN(c2ccc(OCC)cc2)CC1 ZINC001319382279 1108439185 /nfs/dbraw/zinc/43/91/85/1108439185.db2.gz XNODFUAVLHCPIL-HNNXBMFYSA-N 0 0 304.434 3.170 20 10 DGCDRN Cc1noc(NC(=O)c2ccc(C3=S=CC=C3)s2)c1C ZINC001324757664 1108452995 /nfs/dbraw/zinc/45/29/95/1108452995.db2.gz MLMLGYWQVVGUCJ-UHFFFAOYSA-N 0 0 304.396 3.231 20 10 DGCDRN Cc1noc(C)c1[C@H](C)C(=O)Nc1c2nonc2ccc1Cl ZINC001324856482 1108488202 /nfs/dbraw/zinc/48/82/02/1108488202.db2.gz BVFCHQDPUWWHHJ-LURJTMIESA-N 0 0 320.736 3.223 20 10 DGCDRN Cc1ccc(C(=O)N(CCc2ccccc2)C(C)C)c(O)c1O ZINC001325076019 1108574823 /nfs/dbraw/zinc/57/48/23/1108574823.db2.gz FNTXPSNGCVPTTC-UHFFFAOYSA-N 0 0 313.397 3.500 20 10 DGCDRN Cc1cc(CC(=O)Nc2cccnn2)c(C)n1-c1ccccc1 ZINC001265339623 1108833625 /nfs/dbraw/zinc/83/36/25/1108833625.db2.gz PCYDNRLXVMXVMA-UHFFFAOYSA-N 0 0 306.369 3.065 20 10 DGCDRN CN(C(=O)c1ccnc2c1CC(=O)N2)c1ccc2ccccc2c1 ZINC001290537358 1110248786 /nfs/dbraw/zinc/24/87/86/1110248786.db2.gz WFTHHBZANINICM-UHFFFAOYSA-N 0 0 317.348 3.006 20 10 DGCDRN CC[C@H]1c2ccsc2CCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001290847741 1110261076 /nfs/dbraw/zinc/26/10/76/1110261076.db2.gz HJOMBAIGPCARDG-ZDUSSCGKSA-N 0 0 317.410 3.238 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccn(Cc3ccccc3)c2)c1 ZINC001301046831 1111079786 /nfs/dbraw/zinc/07/97/86/1111079786.db2.gz MWQNVZBILWSZPG-UHFFFAOYSA-N 0 0 320.392 3.480 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCc2cc(Cl)ccc21 ZINC001302319231 1111111845 /nfs/dbraw/zinc/11/18/45/1111111845.db2.gz MHOZOGKFHDVBHE-AWEZNQCLSA-N 0 0 317.772 3.097 20 10 DGCDRN O=C(c1c(F)c(F)cc(F)c1F)N1Cc2cccc(O)c2C1 ZINC001302786265 1111125587 /nfs/dbraw/zinc/12/55/87/1111125587.db2.gz GQPJSMFZVWOQEY-UHFFFAOYSA-N 0 0 311.234 3.105 20 10 DGCDRN CC(C)c1cc(NC(=O)Cc2ccc(O)c(O)c2)ccc1O ZINC001302994114 1111131501 /nfs/dbraw/zinc/13/15/01/1111131501.db2.gz PWDJPCCNINUIDW-UHFFFAOYSA-N 0 0 301.342 3.108 20 10 DGCDRN C[C@H](Cc1ccccc1F)C(=O)NCc1c(O)cccc1F ZINC001303878728 1111156338 /nfs/dbraw/zinc/15/63/38/1111156338.db2.gz RPAXBYRUXHEEQR-LLVKDONJSA-N 0 0 305.324 3.165 20 10 DGCDRN C[C@H]1C[C@@H]1Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O ZINC001304952954 1111189411 /nfs/dbraw/zinc/18/94/11/1111189411.db2.gz XCNHOVISQOKBLL-SWLSCSKDSA-N 0 0 312.417 3.154 20 10 DGCDRN CN1Cc2cc(NCc3cc(F)cc(F)c3O)ccc2NC1=O ZINC001308377335 1111423553 /nfs/dbraw/zinc/42/35/53/1111423553.db2.gz DTHJNAQFAHMXDF-UHFFFAOYSA-N 0 0 319.311 3.260 20 10 DGCDRN Cc1cc(C(N)=O)ccc1NCc1cc(F)c(N(C)C)cc1F ZINC001308537730 1111439467 /nfs/dbraw/zinc/43/94/67/1111439467.db2.gz IDUAJQGMBFJEBU-UHFFFAOYSA-N 0 0 319.355 3.050 20 10 DGCDRN Oc1cc(F)c(F)cc1CNCc1nc(-c2ccccc2)no1 ZINC001308670521 1111458348 /nfs/dbraw/zinc/45/83/48/1111458348.db2.gz BKMWEEJYQZUELL-UHFFFAOYSA-N 0 0 317.295 3.010 20 10 DGCDRN COC(=O)/C=C\c1ccc(CN(C)c2ccc(OC)c(F)c2)o1 ZINC001308677623 1111459826 /nfs/dbraw/zinc/45/98/26/1111459826.db2.gz ORHIDOJYBUFSAE-CLFYSBASSA-N 0 0 319.332 3.250 20 10 DGCDRN C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1cccc(Br)c1[O-] ZINC001308741895 1111468318 /nfs/dbraw/zinc/46/83/18/1111468318.db2.gz KOHQXWQGHDJOGY-QWRGUYRKSA-N 0 0 314.223 3.059 20 10 DGCDRN CN(CC(=O)N(C)C1CCCCC1)Cc1ccc(Cl)cc1O ZINC001308862373 1111485268 /nfs/dbraw/zinc/48/52/68/1111485268.db2.gz VZVJURUGFBBSGW-UHFFFAOYSA-N 0 0 324.852 3.269 20 10 DGCDRN C[C@@]1(C[NH2+]Cc2cc(F)c(F)cc2[O-])CCOC2(CCC2)C1 ZINC001308946133 1111497828 /nfs/dbraw/zinc/49/78/28/1111497828.db2.gz LAUDRKGHRWUUJH-MRXNPFEDSA-N 0 0 311.372 3.499 20 10 DGCDRN CC[C@H](C)c1ncc(NC(=O)N2Cc3cccc(O)c3C2)cn1 ZINC001310631638 1111566542 /nfs/dbraw/zinc/56/65/42/1111566542.db2.gz SZDBMEOSVNYKDT-NSHDSACASA-N 0 0 312.373 3.243 20 10 DGCDRN C[C@H](NC(=O)NCC=C(Cl)Cl)c1ccc(N(C)C)cc1 ZINC001311222325 1111590913 /nfs/dbraw/zinc/59/09/13/1111590913.db2.gz KVAWOKHABAPQOG-JTQLQIEISA-N 0 0 316.232 3.432 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@@H](C)C1CC1 ZINC001311690005 1111614141 /nfs/dbraw/zinc/61/41/41/1111614141.db2.gz QGZNBVQZPHVJFA-HUUCEWRRSA-N 0 0 317.477 3.337 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@]1(C)CC1(C)C ZINC001311945112 1111627876 /nfs/dbraw/zinc/62/78/76/1111627876.db2.gz RYRKYWSCAGNIRQ-SFHVURJKSA-N 0 0 303.450 3.296 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C(C)C)C1CC1 ZINC001311944170 1111628010 /nfs/dbraw/zinc/62/80/10/1111628010.db2.gz KSZMZDSUFKVYGE-QGZVFWFLSA-N 0 0 303.450 3.295 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCc2ccc(Cl)cc2F)c1 ZINC001312556956 1111659772 /nfs/dbraw/zinc/65/97/72/1111659772.db2.gz QWTHPPNLWGTDAU-UHFFFAOYSA-N 0 0 322.767 3.493 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@H](C)[C@@H]1C ZINC001312883407 1111679816 /nfs/dbraw/zinc/67/98/16/1111679816.db2.gz CSFTWNQSEFTRLL-BPUTZDHNSA-N 0 0 317.477 3.432 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2CCCc3ccccc3C2)c1 ZINC001313365021 1111711292 /nfs/dbraw/zinc/71/12/92/1111711292.db2.gz AYIPGABHWAKAGR-SFHVURJKSA-N 0 0 324.424 3.447 20 10 DGCDRN CN(C)c1ccc(N=C2NN=C(c3cccn3C)CS2)cc1 ZINC000105399055 282294030 /nfs/dbraw/zinc/29/40/30/282294030.db2.gz JEMSZYGQFIJVNH-UHFFFAOYSA-N 0 0 313.430 3.010 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC12CCCC2 ZINC000353886071 282295257 /nfs/dbraw/zinc/29/52/57/282295257.db2.gz DYQMMFUBTZWHTJ-AWEZNQCLSA-N 0 0 300.402 3.058 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCc1nc(C)cs1 ZINC000066698377 432019991 /nfs/dbraw/zinc/01/99/91/432019991.db2.gz BFRYHUOWEPIBMM-UHFFFAOYSA-N 0 0 319.430 3.279 20 10 DGCDRN CC(C)Oc1ccc([C@H](C)NC(=O)Cc2ccc(N)cc2)cc1 ZINC000236741845 201989180 /nfs/dbraw/zinc/98/91/80/201989180.db2.gz VYYLVPCJGKVXCV-AWEZNQCLSA-N 0 0 312.413 3.476 20 10 DGCDRN Cc1ccc(C(=O)N([C@H](C)c2ccco2)C2CC2)c(O)c1O ZINC000179449425 432059181 /nfs/dbraw/zinc/05/91/81/432059181.db2.gz REZMWZLMCCKGPJ-LLVKDONJSA-N 0 0 301.342 3.365 20 10 DGCDRN CC[C@H]1CCC[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000450045138 240538599 /nfs/dbraw/zinc/53/85/99/240538599.db2.gz FTLUHEPAOWFSDP-ZFWWWQNUSA-N 0 0 302.418 3.304 20 10 DGCDRN CC[C@H](NC(=O)NCc1c(C)c2ccccc2n1C)C(F)F ZINC000454878478 242054260 /nfs/dbraw/zinc/05/42/60/242054260.db2.gz STBJWVQSFURSQW-LBPRGKRZSA-N 0 0 309.360 3.330 20 10 DGCDRN C[C@@H]([NH2+]CC1(CCO)CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273624183 296117860 /nfs/dbraw/zinc/11/78/60/296117860.db2.gz ZZTGWQKNULVTNH-CYBMUJFWSA-N 0 0 322.405 3.284 20 10 DGCDRN Cc1cc(N(C)C(=O)/C=C/c2cnn(-c3ccccc3)c2)ccn1 ZINC000492461918 245710966 /nfs/dbraw/zinc/71/09/66/245710966.db2.gz SPSCNXSQBXEINH-CMDGGOBGSA-N 0 0 318.380 3.252 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C/c2ccc(C)nc2)cc1F ZINC000492505379 245723323 /nfs/dbraw/zinc/72/33/23/245723323.db2.gz QDEZPALRHCMBLT-RMKNXTFCSA-N 0 0 300.333 3.214 20 10 DGCDRN Cc1c(N[C@@H]2CCc3cccc(O)c32)cnn1C1CCOCC1 ZINC000297188514 291581108 /nfs/dbraw/zinc/58/11/08/291581108.db2.gz FGINZEQHJMNCBN-OAHLLOKOSA-N 0 0 313.401 3.348 20 10 DGCDRN Oc1ccc(Br)cc1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000268882302 432147264 /nfs/dbraw/zinc/14/72/64/432147264.db2.gz YBJIGCSGICCDOX-LBPRGKRZSA-N 0 0 322.206 3.045 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)C(C)(C)Oc1ccc(F)cc1 ZINC000053914808 183916445 /nfs/dbraw/zinc/91/64/45/183916445.db2.gz LHZKSOLCUNFQAU-UHFFFAOYSA-N 0 0 317.360 3.347 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cnc2n[nH]c(C)c2c1 ZINC000066096300 184388427 /nfs/dbraw/zinc/38/84/27/184388427.db2.gz DTTVWHVJLKFJPT-UHFFFAOYSA-N 0 0 324.384 3.024 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(CCOC)CCC1 ZINC000271015917 285100255 /nfs/dbraw/zinc/10/02/55/285100255.db2.gz JPDHXPWXGKOCDK-UHFFFAOYSA-N 0 0 318.461 3.308 20 10 DGCDRN C[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)c1ccsc1 ZINC000437002932 533213290 /nfs/dbraw/zinc/21/32/90/533213290.db2.gz ARGLSEBZXSZMAO-GFCCVEGCSA-N 0 0 316.426 3.343 20 10 DGCDRN COc1ccc(C(=O)NCc2c(C)c3ccccc3n2C)cc1 ZINC000348671285 533336745 /nfs/dbraw/zinc/33/67/45/533336745.db2.gz WMGOTRGOGHRBSE-UHFFFAOYSA-N 0 0 308.381 3.425 20 10 DGCDRN Cc1ccc(C(=O)Nc2cccc(-c3cnco3)c2)c(O)c1O ZINC000177673932 533611751 /nfs/dbraw/zinc/61/17/51/533611751.db2.gz DBWPVJSHBOMKHY-UHFFFAOYSA-N 0 0 310.309 3.314 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)CCc1ccc(O)cc1 ZINC000272658823 130049959 /nfs/dbraw/zinc/04/99/59/130049959.db2.gz RWYXSKFGTIYBDU-UHFFFAOYSA-N 0 0 313.397 3.469 20 10 DGCDRN CC[C@H]1C[C@@H](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000272912262 130074166 /nfs/dbraw/zinc/07/41/66/130074166.db2.gz LDBWPWMYPRJGEL-WMZOPIPTSA-N 0 0 318.461 3.306 20 10 DGCDRN Cc1cccc([C@H]2CCN(C(=O)c3ccc(C)c(O)c3O)C2)c1 ZINC000273118826 130090542 /nfs/dbraw/zinc/09/05/42/130090542.db2.gz CEVWJYNFQJCJAW-HNNXBMFYSA-N 0 0 311.381 3.344 20 10 DGCDRN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2nnc(C(C)C)[nH]2)c1 ZINC000273343750 130109144 /nfs/dbraw/zinc/10/91/44/130109144.db2.gz AFIGOOHEDGDIKT-MNOVXSKESA-N 0 0 304.394 3.054 20 10 DGCDRN Cc1ccc(O)c([C@H](C)Nc2ccc3c(c2)n(C)c(=O)n3C)c1 ZINC000273356819 130111426 /nfs/dbraw/zinc/11/14/26/130111426.db2.gz CTFPLRJFLDQCNE-LBPRGKRZSA-N 0 0 311.385 3.064 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCc2cccs2)c1 ZINC000273370053 130112303 /nfs/dbraw/zinc/11/23/03/130112303.db2.gz FXHHNPNMPRTAGU-LLVKDONJSA-N 0 0 305.399 3.134 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(N(C)C)nc1)c1cc(Cl)ccc1O ZINC000273412741 130118569 /nfs/dbraw/zinc/11/85/69/130118569.db2.gz PZPHQJVNIZYXNM-NSHDSACASA-N 0 0 305.809 3.357 20 10 DGCDRN C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1ccc(F)cc1[O-] ZINC000273424976 130120105 /nfs/dbraw/zinc/12/01/05/130120105.db2.gz TVDWYWMRXKNXBM-GFCCVEGCSA-N 0 0 316.376 3.084 20 10 DGCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc(SC)cn2)c1 ZINC000273446597 130121522 /nfs/dbraw/zinc/12/15/22/130121522.db2.gz FEHFYCQMFBDXOM-SNVBAGLBSA-N 0 0 318.398 3.469 20 10 DGCDRN COc1ccc(O)c([C@@H](C)N[C@@H](CO)c2c(F)cccc2F)c1 ZINC000273540894 130133160 /nfs/dbraw/zinc/13/31/60/130133160.db2.gz YFYZTQXERCCUQI-BMIGLBTASA-N 0 0 323.339 3.063 20 10 DGCDRN COCCC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000273557710 130136403 /nfs/dbraw/zinc/13/64/03/130136403.db2.gz HFOLZFONZNXHKB-GFCCVEGCSA-N 0 0 308.378 3.158 20 10 DGCDRN C[C@@H]([NH2+]CCOCC1CC1)c1ccc(Br)cc1O ZINC000273577997 130139796 /nfs/dbraw/zinc/13/97/96/130139796.db2.gz MCNDQUUYBRSJGJ-SNVBAGLBSA-N 0 0 314.223 3.232 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccncc1 ZINC000273588301 130140051 /nfs/dbraw/zinc/14/00/51/130140051.db2.gz OKANEGXOUXJABF-XHDPSFHLSA-N 0 0 301.346 3.497 20 10 DGCDRN CN(c1ccc(CNC(=O)c2cncnc2)cc1)C1CCCCC1 ZINC000273597313 130141485 /nfs/dbraw/zinc/14/14/85/130141485.db2.gz FBGSARYHUBXMJI-UHFFFAOYSA-N 0 0 324.428 3.176 20 10 DGCDRN COc1cc2c(cc1N[C@H](C)c1ccccc1O)NC(=O)CC2 ZINC000274435709 130234029 /nfs/dbraw/zinc/23/40/29/130234029.db2.gz WIZWXIJNQNCKAP-LLVKDONJSA-N 0 0 312.369 3.459 20 10 DGCDRN COCc1cc([N+](=O)[O-])ccc1N(C)Cc1ccccc1O ZINC000276148786 130447459 /nfs/dbraw/zinc/44/74/59/130447459.db2.gz DJWUMGMJQUMCQD-UHFFFAOYSA-N 0 0 302.330 3.083 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1cnc(C)nc1 ZINC000282444081 130922306 /nfs/dbraw/zinc/92/23/06/130922306.db2.gz IQNQJVFBMZJHNV-UHFFFAOYSA-N 0 0 314.389 3.325 20 10 DGCDRN Cc1nc2cccc(C(=O)N(C)Cc3ccc(N(C)C)cc3)c2[nH]1 ZINC000283573396 131004381 /nfs/dbraw/zinc/00/43/81/131004381.db2.gz VTBVSLJNXIKVAC-UHFFFAOYSA-N 0 0 322.412 3.210 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H](COC)C1CC1 ZINC000283648967 131010600 /nfs/dbraw/zinc/01/06/00/131010600.db2.gz OCNQABQLIQBOOH-INIZCTEOSA-N 0 0 320.433 3.129 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000283809709 131024953 /nfs/dbraw/zinc/02/49/53/131024953.db2.gz OPWUVZAGMBJFBJ-LBPRGKRZSA-N 0 0 312.360 3.359 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCCOC1 ZINC000283823007 131026380 /nfs/dbraw/zinc/02/63/80/131026380.db2.gz ZSZRKUAOSOTTKJ-OAHLLOKOSA-N 0 0 320.433 3.131 20 10 DGCDRN Cc1noc(C(C)(C)NCc2ccc(N3CCCCC3)cc2)n1 ZINC000284167619 131056246 /nfs/dbraw/zinc/05/62/46/131056246.db2.gz WVVAGZHQGYDCGI-UHFFFAOYSA-N 0 0 314.433 3.393 20 10 DGCDRN Cc1cc(O)c(CNc2ccc(OCCCO)cc2)cc1C ZINC000285526698 131177789 /nfs/dbraw/zinc/17/77/89/131177789.db2.gz PMCRTDOAWXWWJU-UHFFFAOYSA-N 0 0 301.386 3.382 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(C1CCC1)C1CCC1 ZINC000285896623 131208190 /nfs/dbraw/zinc/20/81/90/131208190.db2.gz UQFXTCXSDUMJOY-LBPRGKRZSA-N 0 0 317.429 3.361 20 10 DGCDRN CC[C@@H]([NH2+]CC[S@](=O)C(C)(C)C)c1ccc(F)cc1[O-] ZINC000285977017 131213441 /nfs/dbraw/zinc/21/34/41/131213441.db2.gz HLMUUMNZGMDINM-XCLFUZPHSA-N 0 0 301.427 3.119 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc(F)cc1[O-] ZINC000286337729 131231516 /nfs/dbraw/zinc/23/15/16/131231516.db2.gz YRAWWVKVDLVCAA-DZGCQCFKSA-N 0 0 309.381 3.258 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)c2nnc(C)[nH]2)c(C)n1-c1ccccc1 ZINC000286546067 131240613 /nfs/dbraw/zinc/24/06/13/131240613.db2.gz ZTXOYEABUVSGQI-GFCCVEGCSA-N 0 0 323.400 3.012 20 10 DGCDRN CON(CC(C)(C)C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000287481613 131282353 /nfs/dbraw/zinc/28/23/53/131282353.db2.gz OUJVVBPDKDJEIK-UHFFFAOYSA-N 0 0 317.433 3.182 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1cccc(Cl)c1[O-] ZINC000287559363 131286787 /nfs/dbraw/zinc/28/67/87/131286787.db2.gz GEJPOJXNICYJRW-GWCFXTLKSA-N 0 0 312.841 3.390 20 10 DGCDRN CC[C@@H]([NH2+][C@H](C)C(=O)NC(C)(C)C)c1cccc(Cl)c1[O-] ZINC000287559380 131287266 /nfs/dbraw/zinc/28/72/66/131287266.db2.gz GEJPOJXNICYJRW-ZWNOBZJWSA-N 0 0 312.841 3.390 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ocnc1C1CC1 ZINC000289287817 131371077 /nfs/dbraw/zinc/37/10/77/131371077.db2.gz PHAQUEPZQVQVMA-UHFFFAOYSA-N 0 0 311.385 3.082 20 10 DGCDRN CC(=O)C(=O)CSc1nc2ccccc2n1CCC(C)C ZINC000289530340 131393576 /nfs/dbraw/zinc/39/35/76/131393576.db2.gz DTPHTXUMZXSYOZ-UHFFFAOYSA-N 0 0 304.415 3.333 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000290187960 131463154 /nfs/dbraw/zinc/46/31/54/131463154.db2.gz FUKXVARPJDMOPT-NVGCLXPQSA-N 0 0 316.357 3.073 20 10 DGCDRN C[C@@H](OCc1ccc(F)cc1)C(=O)N(C)Cc1ccccc1O ZINC000294798305 131861325 /nfs/dbraw/zinc/86/13/25/131861325.db2.gz IDZUZSIDQBAIAC-CYBMUJFWSA-N 0 0 317.360 3.095 20 10 DGCDRN CCC[C@H](CNC(=O)N(CCC)Cc1ccccc1O)OC ZINC000297780256 132034061 /nfs/dbraw/zinc/03/40/61/132034061.db2.gz WUBYUSVZAQFYMQ-OAHLLOKOSA-N 0 0 308.422 3.129 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NCCCCCOC)cc1 ZINC000299336196 132100051 /nfs/dbraw/zinc/10/00/51/132100051.db2.gz RLIADOULUWJSME-UHFFFAOYSA-N 0 0 321.465 3.149 20 10 DGCDRN CCC(CC)c1nnc(NC(=O)NCc2ccccc2O)s1 ZINC000299511948 132108547 /nfs/dbraw/zinc/10/85/47/132108547.db2.gz OAICRZOKLNLQPS-UHFFFAOYSA-N 0 0 320.418 3.469 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)CCc1c(C)noc1C ZINC000299575493 132111692 /nfs/dbraw/zinc/11/16/92/132111692.db2.gz BWTQQAFIIHVISG-UHFFFAOYSA-N 0 0 316.401 3.368 20 10 DGCDRN COc1cccc(CNc2nc3ccccc3cc2CO)c1O ZINC000091479260 400123034 /nfs/dbraw/zinc/12/30/34/400123034.db2.gz KJCBLRIOJRDAFP-UHFFFAOYSA-N 0 0 310.353 3.053 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1 ZINC000025962213 400248922 /nfs/dbraw/zinc/24/89/22/400248922.db2.gz FXIPZQBBMXWZHT-QZTJIDSGSA-N 0 0 312.388 3.312 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N(C)Cc2cccs2)cc1 ZINC000027341320 400270438 /nfs/dbraw/zinc/27/04/38/400270438.db2.gz IXZHVUAHICOTER-UHFFFAOYSA-N 0 0 303.431 3.156 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccnc(Cl)c1 ZINC000028331292 400288934 /nfs/dbraw/zinc/28/89/34/400288934.db2.gz CQKZBUTYEPCPMJ-UHFFFAOYSA-N 0 0 315.804 3.265 20 10 DGCDRN Cc1csc([C@@H](NC(=O)NCc2ccccc2O)C2CC2)n1 ZINC000073939508 400479626 /nfs/dbraw/zinc/47/96/26/400479626.db2.gz VCFJSVZIDBVGRC-AWEZNQCLSA-N 0 0 317.414 3.108 20 10 DGCDRN Cc1cnc(NCc2ccc(N(C)C)c(F)c2)c([N+](=O)[O-])c1 ZINC000078655824 400817173 /nfs/dbraw/zinc/81/71/73/400817173.db2.gz DYTUUCJUUYDBLL-UHFFFAOYSA-N 0 0 304.325 3.115 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3c(F)cccc3F)ccc21 ZINC000058768566 401070632 /nfs/dbraw/zinc/07/06/32/401070632.db2.gz MZOGIXVYENRUCN-UHFFFAOYSA-N 0 0 316.351 3.277 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)Cc2noc3ccccc32)cc1 ZINC000061443383 401154660 /nfs/dbraw/zinc/15/46/60/401154660.db2.gz NREPJQKLYPCKEF-UHFFFAOYSA-N 0 0 323.396 3.095 20 10 DGCDRN Cc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)c(C)s1 ZINC000608250318 401214106 /nfs/dbraw/zinc/21/41/06/401214106.db2.gz RTIBNXJRFHLWKI-UHFFFAOYSA-N 0 0 316.426 3.470 20 10 DGCDRN CCCCS(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000064943089 401254499 /nfs/dbraw/zinc/25/44/99/401254499.db2.gz NEZVJGSDQKRACS-UHFFFAOYSA-N 0 0 324.490 3.239 20 10 DGCDRN Cc1cc(C(=O)NC2CCOCC2)c(C)n1-c1ccccc1C ZINC000064997575 401255385 /nfs/dbraw/zinc/25/53/85/401255385.db2.gz LSAFXTWSORMLHY-UHFFFAOYSA-N 0 0 312.413 3.311 20 10 DGCDRN CC[C@@H]([NH2+]CCSCCCO)c1cccc(Cl)c1[O-] ZINC000287834288 286908391 /nfs/dbraw/zinc/90/83/91/286908391.db2.gz VVJXBWACIIYPSL-CYBMUJFWSA-N 0 0 303.855 3.202 20 10 DGCDRN CCc1cccc2c1OCC[C@H]2NC(=O)Cc1ccc(N)cc1 ZINC000269210260 432155577 /nfs/dbraw/zinc/15/55/77/432155577.db2.gz BUIDTBLAYCGVIB-QGZVFWFLSA-N 0 0 310.397 3.014 20 10 DGCDRN CCCN(Cc1ccccc1O)c1cc(C)nc(COC)n1 ZINC000269409048 432171060 /nfs/dbraw/zinc/17/10/60/432171060.db2.gz YSLCJUNRJNVMPD-UHFFFAOYSA-N 0 0 301.390 3.054 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccnn1C(C)C ZINC000137070170 432169332 /nfs/dbraw/zinc/16/93/32/432169332.db2.gz NEAHCOKALBTGPR-UHFFFAOYSA-N 0 0 301.390 3.222 20 10 DGCDRN CCN(Cc1cc(OC)ccn1)c1ccc(OC)c(OC)c1 ZINC000269644989 432191930 /nfs/dbraw/zinc/19/19/30/432191930.db2.gz SZJABJBLLMXDFA-UHFFFAOYSA-N 0 0 302.374 3.134 20 10 DGCDRN Oc1ccccc1C[N@H+](CCc1cccnc1)C[C@@H]1CCCO1 ZINC000172164033 432199425 /nfs/dbraw/zinc/19/94/25/432199425.db2.gz UFCJKIGJVMZHQN-SFHVURJKSA-N 0 0 312.413 3.011 20 10 DGCDRN CC[C@H](C)OCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000269684315 432197359 /nfs/dbraw/zinc/19/73/59/432197359.db2.gz GJNWTAFKBMQEMY-AWEZNQCLSA-N 0 0 304.434 3.059 20 10 DGCDRN Cc1csc2nc(C)nc(NCCc3ccc(O)c(O)c3)c12 ZINC000133477734 227036258 /nfs/dbraw/zinc/03/62/58/227036258.db2.gz MCALPPOOZKMYID-UHFFFAOYSA-N 0 0 315.398 3.374 20 10 DGCDRN O=C(NCc1ccccc1O)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000133939043 227040988 /nfs/dbraw/zinc/04/09/88/227040988.db2.gz FCYPPRPGBPHTRK-RYUDHWBXSA-N 0 0 301.308 3.377 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000134194925 227041269 /nfs/dbraw/zinc/04/12/69/227041269.db2.gz IXNNXTVDEDUUDP-CYBMUJFWSA-N 0 0 315.244 3.369 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000182636134 228368782 /nfs/dbraw/zinc/36/87/82/228368782.db2.gz USYZMBOXLJPGEE-IUODEOHRSA-N 0 0 313.850 3.190 20 10 DGCDRN Oc1ccc(F)cc1C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185639973 228395192 /nfs/dbraw/zinc/39/51/92/228395192.db2.gz BYAMMANCQGRKRM-UHFFFAOYSA-N 0 0 301.361 3.015 20 10 DGCDRN COc1ccc(O)c(CNc2ccc(C(=O)N(C)C)c(C)c2)c1 ZINC000194919295 228602396 /nfs/dbraw/zinc/60/23/96/228602396.db2.gz XNZYFBWIRFQPLF-UHFFFAOYSA-N 0 0 314.385 3.023 20 10 DGCDRN Nc1ccc(CNC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000216270923 228612417 /nfs/dbraw/zinc/61/24/17/228612417.db2.gz GBUKIRWXQUSKHH-RYUDHWBXSA-N 0 0 300.324 3.254 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CC[C@@H](F)C1 ZINC000346291967 229167079 /nfs/dbraw/zinc/16/70/79/229167079.db2.gz AALXANBOSVRYPM-CHWSQXEVSA-N 0 0 303.381 3.177 20 10 DGCDRN CCn1cc(NC(=O)NCc2c(C)c3ccccc3n2C)cn1 ZINC000348483283 229202314 /nfs/dbraw/zinc/20/23/14/229202314.db2.gz YOHZEPZYMIILKR-UHFFFAOYSA-N 0 0 311.389 3.025 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ncc(F)cc1F ZINC000348661544 229204759 /nfs/dbraw/zinc/20/47/59/229204759.db2.gz OPDSDMDXUBHRLF-UHFFFAOYSA-N 0 0 315.323 3.090 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1nc(C)c(C)nc1C ZINC000348637997 229205065 /nfs/dbraw/zinc/20/50/65/229205065.db2.gz YJXJNTNLOCUGKM-UHFFFAOYSA-N 0 0 322.412 3.132 20 10 DGCDRN CO[C@H]1CCCC[C@H]1C(=O)NCc1c(C)c2ccccc2n1C ZINC000352080365 229242317 /nfs/dbraw/zinc/24/23/17/229242317.db2.gz XVTBKHTVGDNIDQ-QAPCUYQASA-N 0 0 314.429 3.308 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cc1cccc(O)c1 ZINC000352110951 229244043 /nfs/dbraw/zinc/24/40/43/229244043.db2.gz HMCRLTSWOZAWND-UHFFFAOYSA-N 0 0 308.381 3.051 20 10 DGCDRN O=[N+]([O-])c1ccccc1/C=C\CN1C[C@H](CO)c2ccccc21 ZINC000354044467 229290217 /nfs/dbraw/zinc/29/02/17/229290217.db2.gz ITZXIKWVMZGVOB-ZQMJAJRESA-N 0 0 310.353 3.204 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNCc1ccn(C(F)F)n1 ZINC000355128351 229304937 /nfs/dbraw/zinc/30/49/37/229304937.db2.gz UWEBTULTPSXVJO-UHFFFAOYSA-N 0 0 304.344 3.368 20 10 DGCDRN CN1CCCN(C(=O)/C=C\c2cncs2)c2cc(F)ccc21 ZINC000493523251 277047206 /nfs/dbraw/zinc/04/72/06/277047206.db2.gz MOQMOHCOEFSGHB-XQRVVYSFSA-N 0 0 317.389 3.169 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@@H](O)c1ccccc1 ZINC000290187963 277626821 /nfs/dbraw/zinc/62/68/21/277626821.db2.gz FUKXVARPJDMOPT-XWCIJXRUSA-N 0 0 316.357 3.073 20 10 DGCDRN CC[C@H]([NH2+]CC(=O)N(C)CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000287685911 288035914 /nfs/dbraw/zinc/03/59/14/288035914.db2.gz MXAAQIWFNMHYIG-LBPRGKRZSA-N 0 0 319.232 3.218 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C)CC[S@](C)=O)c1cccc(Cl)c1[O-] ZINC000287667125 288058893 /nfs/dbraw/zinc/05/88/93/288058893.db2.gz LZPSPIFARNIJHB-JXBWDGJFSA-N 0 0 303.855 3.243 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)N(C)CC3CC3)cc2)CC1 ZINC000108443739 431142170 /nfs/dbraw/zinc/14/21/70/431142170.db2.gz YUUDZTQYRMEPML-UHFFFAOYSA-N 0 0 315.461 3.474 20 10 DGCDRN C[C@H](C1CC1)N(C(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000073915573 431389933 /nfs/dbraw/zinc/38/99/33/431389933.db2.gz XOAIOODNMOVVNI-GFCCVEGCSA-N 0 0 319.424 3.364 20 10 DGCDRN CC[C@@H]([NH2+]Cc1nncn1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000287285987 280191216 /nfs/dbraw/zinc/19/12/16/280191216.db2.gz BTEHWCJTONNGJJ-LLVKDONJSA-N 0 0 315.204 3.068 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cc(C(C)C)n(C)n1 ZINC000348632275 280269529 /nfs/dbraw/zinc/26/95/29/280269529.db2.gz DMPIIKJTNKSGAC-UHFFFAOYSA-N 0 0 324.428 3.274 20 10 DGCDRN CCOCCC1(C(=O)NCc2ccc(N(C)C)c(F)c2)CCC1 ZINC000119527588 431705045 /nfs/dbraw/zinc/70/50/45/431705045.db2.gz YGFJJXQPIQCIKC-UHFFFAOYSA-N 0 0 322.424 3.105 20 10 DGCDRN CCN(Cc1ccccc1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000031726436 431764929 /nfs/dbraw/zinc/76/49/29/431764929.db2.gz XFDIRBKDOPHRMV-UHFFFAOYSA-N 0 0 311.429 3.484 20 10 DGCDRN CN(Cc1noc(-c2ccsc2)n1)c1ccc2c(c1)OCO2 ZINC000121275044 431764477 /nfs/dbraw/zinc/76/44/77/431764477.db2.gz BLFVTYOABWOMAM-UHFFFAOYSA-N 0 0 315.354 3.163 20 10 DGCDRN CCOc1cccc(CNc2cccc(-c3n[nH]c(C)n3)c2)c1O ZINC000119813765 431717987 /nfs/dbraw/zinc/71/79/87/431717987.db2.gz FJMOCCYYRBUBFX-UHFFFAOYSA-N 0 0 324.384 3.497 20 10 DGCDRN C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)c1c(F)cccc1F ZINC000121972398 431807362 /nfs/dbraw/zinc/80/73/62/431807362.db2.gz GTAZBAFWVJPZGK-GFCCVEGCSA-N 0 0 318.367 3.451 20 10 DGCDRN Cc1ccc(NC(=O)CN(C)c2ccc3c(c2)OCO3)c(C)c1 ZINC000121333930 431772344 /nfs/dbraw/zinc/77/23/44/431772344.db2.gz CBGNJXBDZYODCQ-UHFFFAOYSA-N 0 0 312.369 3.107 20 10 DGCDRN C[C@@H](Cn1ccnc1)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000037158027 431844500 /nfs/dbraw/zinc/84/45/00/431844500.db2.gz OBPSPBCBRBUUEO-VIFPVBQESA-N 0 0 300.189 3.074 20 10 DGCDRN C[C@H](NCc1ncn(C)n1)c1ccc(N2CCCCCC2)cc1 ZINC000090970076 431898924 /nfs/dbraw/zinc/89/89/24/431898924.db2.gz BUBGEBLXKNDSNF-HNNXBMFYSA-N 0 0 313.449 3.046 20 10 DGCDRN Cc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)s1 ZINC000173197561 432263441 /nfs/dbraw/zinc/26/34/41/432263441.db2.gz DJZVPMFNRPSHLS-UHFFFAOYSA-N 0 0 302.399 3.162 20 10 DGCDRN C[N@H+](CCc1ccncc1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000183757938 432321969 /nfs/dbraw/zinc/32/19/69/432321969.db2.gz PQJMOQGRVUDUMH-UHFFFAOYSA-N 0 0 321.764 3.023 20 10 DGCDRN Cc1noc([C@H]2CCC[N@H+](Cc3c(O)cccc3Cl)C2)n1 ZINC000271105414 432330786 /nfs/dbraw/zinc/33/07/86/432330786.db2.gz VLWOKDVKRYPVFR-NSHDSACASA-N 0 0 307.781 3.117 20 10 DGCDRN CC[C@H](Oc1cccc(C)c1)C(=O)NCCc1ccc(N)cc1 ZINC000152562500 432339523 /nfs/dbraw/zinc/33/95/23/432339523.db2.gz JOZRJQLZVWSSAH-SFHVURJKSA-N 0 0 312.413 3.094 20 10 DGCDRN C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1cccnc1 ZINC000153021567 432377662 /nfs/dbraw/zinc/37/76/62/432377662.db2.gz GNLGBCHIBSDMMF-HNNXBMFYSA-N 0 0 322.412 3.018 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000153155742 432387900 /nfs/dbraw/zinc/38/79/00/432387900.db2.gz OJGHICSTTFOCJP-WVSHTKLVSA-N 0 0 304.217 3.340 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCCCNC1=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000192650619 432396600 /nfs/dbraw/zinc/39/66/00/432396600.db2.gz APWVOUJQMONQJU-UFBFGSQYSA-N 0 0 317.216 3.018 20 10 DGCDRN CS[C@H]1CCCCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000153311508 432398663 /nfs/dbraw/zinc/39/86/63/432398663.db2.gz YPJLEVCNDALMTG-INIZCTEOSA-N 0 0 321.490 3.180 20 10 DGCDRN Cc1ccc(O)c([C@@H](C)Nc2ccc(OCCC(N)=O)cc2)c1 ZINC000192719893 432406200 /nfs/dbraw/zinc/40/62/00/432406200.db2.gz NVYYUVTVFPNKGE-CYBMUJFWSA-N 0 0 314.385 3.128 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccncc1F ZINC000184142282 432359717 /nfs/dbraw/zinc/35/97/17/432359717.db2.gz IXHDQIQCJNEMMN-UHFFFAOYSA-N 0 0 314.364 3.143 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H](CO)Cc1ccc(F)cc1 ZINC000271945345 432429792 /nfs/dbraw/zinc/42/97/92/432429792.db2.gz XHPINCZXNMSZOP-ZDUSSCGKSA-N 0 0 323.795 3.126 20 10 DGCDRN CCOc1cccc([C@@H]2Nc3ccc(C)cc3C(=O)N2C)c1O ZINC000153688012 432434441 /nfs/dbraw/zinc/43/44/41/432434441.db2.gz SYLKTWCTPVHSEU-QGZVFWFLSA-N 0 0 312.369 3.296 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000175503986 432443063 /nfs/dbraw/zinc/44/30/63/432443063.db2.gz FESYZYIQNNLPQR-KGLIPLIRSA-N 0 0 317.335 3.433 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000175507435 432443878 /nfs/dbraw/zinc/44/38/78/432443878.db2.gz APTAPWISFQDQSR-PXNSSMCTSA-N 0 0 307.393 3.255 20 10 DGCDRN C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cccc(O)c1O ZINC000193079826 432446887 /nfs/dbraw/zinc/44/68/87/432446887.db2.gz IFJKWTHOCYDOEK-AAEUAGOBSA-N 0 0 315.344 3.255 20 10 DGCDRN CC(C)Oc1cccc(CN(C)C(=O)c2cccc(O)c2O)c1 ZINC000193147955 432454860 /nfs/dbraw/zinc/45/48/60/432454860.db2.gz SQCGHHFBQMALJQ-UHFFFAOYSA-N 0 0 315.369 3.157 20 10 DGCDRN Cc1cc(O)c(CNc2cccc(-c3ncn(C)n3)c2)cc1C ZINC000153515120 432415950 /nfs/dbraw/zinc/41/59/50/432415950.db2.gz LNAUSJDVNRODQU-UHFFFAOYSA-N 0 0 308.385 3.417 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1c(C)nn(C)c1C ZINC000271581875 432420232 /nfs/dbraw/zinc/42/02/32/432420232.db2.gz RMAGMVBVOOEZHG-UHFFFAOYSA-N 0 0 316.405 3.187 20 10 DGCDRN C[C@H](N[C@@H](CO)c1c(F)cccc1F)c1ccc(N(C)C)cc1 ZINC000271545063 432420282 /nfs/dbraw/zinc/42/02/82/432420282.db2.gz ZAFUPCLDCVDECW-SJCJKPOMSA-N 0 0 320.383 3.415 20 10 DGCDRN COc1cc2c(cc1OC)C[N@H+](Cc1cccc(F)c1[O-])CC2 ZINC000272300284 432478232 /nfs/dbraw/zinc/47/82/32/432478232.db2.gz PNHMYADNWFVQMV-UHFFFAOYSA-N 0 0 317.360 3.107 20 10 DGCDRN CCOc1ccc(N[C@H](C)c2cc(OC)ccc2O)cc1CO ZINC000193535035 432480135 /nfs/dbraw/zinc/48/01/35/432480135.db2.gz STHSUCVQKNVPEP-GFCCVEGCSA-N 0 0 317.385 3.465 20 10 DGCDRN Cc1ccc([C@@H](C)[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c(O)c1 ZINC000185464527 432501916 /nfs/dbraw/zinc/50/19/16/432501916.db2.gz JCKJCBHTNUODRR-ZBFHGGJFSA-N 0 0 324.424 3.436 20 10 DGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCC(C)(C)C ZINC000155230334 432545215 /nfs/dbraw/zinc/54/52/15/432545215.db2.gz MIACFXHBSMSALL-UHFFFAOYSA-N 0 0 318.461 3.308 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1(SC)CC1 ZINC000195147381 432609384 /nfs/dbraw/zinc/60/93/84/432609384.db2.gz DHOWHUOIKRSYDA-UHFFFAOYSA-N 0 0 321.490 3.180 20 10 DGCDRN Nc1ccc(CC(=O)Nc2nc3c(s2)CCCCC3)cc1 ZINC000195182919 432610299 /nfs/dbraw/zinc/61/02/99/432610299.db2.gz TZGZSELGRSMZCR-UHFFFAOYSA-N 0 0 301.415 3.175 20 10 DGCDRN CC(C)C[C@H]1OCCC[C@H]1NC(=O)N(C)Cc1ccccc1O ZINC000186215801 432569133 /nfs/dbraw/zinc/56/91/33/432569133.db2.gz MPYSSXTYQZQBIS-NVXWUHKLSA-N 0 0 320.433 3.127 20 10 DGCDRN Cc1cc(C)c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(C)c1 ZINC000186383616 432589616 /nfs/dbraw/zinc/58/96/16/432589616.db2.gz JEOKWFHWBLPYDS-CQSZACIVSA-N 0 0 313.397 3.384 20 10 DGCDRN Cc1cc(C(=O)NCc2nccn2C)c(C)n1-c1ccccc1C ZINC000264325862 432635692 /nfs/dbraw/zinc/63/56/92/432635692.db2.gz RNPXEXVUBOVJGM-UHFFFAOYSA-N 0 0 322.412 3.066 20 10 DGCDRN CN(C)[C@H](C[NH2+]Cc1cccc(Cl)c1[O-])c1ccccc1 ZINC000159730198 432694007 /nfs/dbraw/zinc/69/40/07/432694007.db2.gz KUSFURBKUGNZCV-MRXNPFEDSA-N 0 0 304.821 3.438 20 10 DGCDRN CC(C)Cc1noc(COc2ccc(N3CCCC3)cc2)n1 ZINC000178191624 432703596 /nfs/dbraw/zinc/70/35/96/432703596.db2.gz MYETVICTFIZOIB-UHFFFAOYSA-N 0 0 301.390 3.447 20 10 DGCDRN Cc1ccccc1[C@H](O)C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187716651 432680218 /nfs/dbraw/zinc/68/02/18/432680218.db2.gz WJDQYGZUEIBVEQ-IAQYHMDHSA-N 0 0 307.340 3.363 20 10 DGCDRN Cc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])c1 ZINC000187798217 432687071 /nfs/dbraw/zinc/68/70/71/432687071.db2.gz HFQZIYWHHRVICV-NHYWBVRUSA-N 0 0 307.340 3.363 20 10 DGCDRN CC(C)Oc1ccc([C@@H](C)NC(=O)Cc2ccc(N)cc2)cc1 ZINC000236736317 432761704 /nfs/dbraw/zinc/76/17/04/432761704.db2.gz VYYLVPCJGKVXCV-CQSZACIVSA-N 0 0 312.413 3.476 20 10 DGCDRN Cc1ncsc1/C=C/C(=O)N1CCCc2cccc(O)c21 ZINC000189063355 432762395 /nfs/dbraw/zinc/76/23/95/432762395.db2.gz HZNGIUKQEJULGI-BQYQJAHWSA-N 0 0 300.383 3.150 20 10 DGCDRN C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1c(F)ccc(O)c1O ZINC000276636170 432823003 /nfs/dbraw/zinc/82/30/03/432823003.db2.gz WZQMPKNMNKRXNC-WCQYABFASA-N 0 0 315.344 3.255 20 10 DGCDRN Cn1cc([C@@H]2CSCCN2Cc2c(O)cccc2Cl)cn1 ZINC000276734373 432824420 /nfs/dbraw/zinc/82/44/20/432824420.db2.gz CDZGKKMBISQJFT-AWEZNQCLSA-N 0 0 323.849 3.069 20 10 DGCDRN CCc1ccc(S(=O)(=O)Nc2ccc(O)cc2CC)cc1 ZINC000276863663 432827120 /nfs/dbraw/zinc/82/71/20/432827120.db2.gz KLHAOHUGMAJLDG-UHFFFAOYSA-N 0 0 305.399 3.318 20 10 DGCDRN COc1ccc(O)c(CNc2cccc(-c3n[nH]c(C)n3)c2)c1 ZINC000237364404 432785118 /nfs/dbraw/zinc/78/51/18/432785118.db2.gz JTQHDEZCTYKQRB-UHFFFAOYSA-N 0 0 310.357 3.106 20 10 DGCDRN CC[C@@H](C)[C@@H]1NC(=O)N(c2cc(Cl)c(N)c(Cl)c2)C1=O ZINC000278157885 432888620 /nfs/dbraw/zinc/88/86/20/432888620.db2.gz OZRZMTVOHMZJJW-KBUNVGBDSA-N 0 0 316.188 3.047 20 10 DGCDRN CC[C@@H](C)[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(F)(F)F ZINC000278257746 432891099 /nfs/dbraw/zinc/89/10/99/432891099.db2.gz XVQCDJPBLMWPNZ-UIFQAOBASA-N 0 0 317.307 3.204 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]CCOCC(F)(F)C(F)F ZINC000278306644 432891256 /nfs/dbraw/zinc/89/12/56/432891256.db2.gz DVNXUEOJLRXADY-UHFFFAOYSA-N 0 0 315.694 3.052 20 10 DGCDRN COC(C)(C)CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000278378502 432891653 /nfs/dbraw/zinc/89/16/53/432891653.db2.gz HJAMBMYYHBUUQT-UHFFFAOYSA-N 0 0 304.434 3.059 20 10 DGCDRN Cc1cccc([C@H]([NH2+]Cc2ccc3c(c2)CCO3)C(=O)[O-])c1C ZINC000277355090 432841773 /nfs/dbraw/zinc/84/17/73/432841773.db2.gz PNEYQRWIPVSDTF-SFHVURJKSA-N 0 0 311.381 3.154 20 10 DGCDRN CCOc1ccc(O)c(CN[C@H](C)c2nnc([C@@H](C)CC)[nH]2)c1 ZINC000277442275 432850290 /nfs/dbraw/zinc/85/02/90/432850290.db2.gz OKIIOJJHGFIRRG-NWDGAFQWSA-N 0 0 318.421 3.273 20 10 DGCDRN CC[C@H](C)[C@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277470774 432853879 /nfs/dbraw/zinc/85/38/79/432853879.db2.gz UVGTVHDGBXMNED-QWRGUYRKSA-N 0 0 324.808 3.244 20 10 DGCDRN CC[C@H]([NH2+][C@H](C(=O)N(C)CC)C(C)C)c1ccc(F)cc1[O-] ZINC000296586230 432923309 /nfs/dbraw/zinc/92/33/09/432923309.db2.gz URZKKSBDSNNAIR-HOCLYGCPSA-N 0 0 310.413 3.075 20 10 DGCDRN C[C@@H](NCc1ncc(C(F)(F)F)cn1)c1cc(F)ccc1O ZINC000296333544 432896929 /nfs/dbraw/zinc/89/69/29/432896929.db2.gz HLBMQUATZCFILV-MRVPVSSYSA-N 0 0 315.270 3.191 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@@H](C)CCc2ccco2)ccc1[N+](=O)[O-] ZINC000278912455 432916525 /nfs/dbraw/zinc/91/65/25/432916525.db2.gz SQSBQJTYDXKLNS-NSHDSACASA-N 0 0 320.345 3.013 20 10 DGCDRN C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccccc1)c1ccc(F)cc1[O-] ZINC000289673077 432970529 /nfs/dbraw/zinc/97/05/29/432970529.db2.gz HIHNDBQICZQGGE-IXDGSTSKSA-N 0 0 315.388 3.348 20 10 DGCDRN C[C@H]([NH2+]CCc1cn[nH]c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000289652536 432971398 /nfs/dbraw/zinc/97/13/98/432971398.db2.gz GHXMQPAMAXYQMP-QMMMGPOBSA-N 0 0 300.189 3.315 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccn(C)c1CC ZINC000289859908 432976845 /nfs/dbraw/zinc/97/68/45/432976845.db2.gz QZCJGIBEMUZRBM-UHFFFAOYSA-N 0 0 300.402 3.346 20 10 DGCDRN C[C@H](NCc1ncnn1-c1ccccc1)c1ccc(N(C)C)cc1 ZINC000279497731 432976858 /nfs/dbraw/zinc/97/68/58/432976858.db2.gz MGGGYPDSSMWGEQ-HNNXBMFYSA-N 0 0 321.428 3.184 20 10 DGCDRN CN(CCC[N@H+](C)Cc1cc(F)ccc1O)Cc1ccco1 ZINC000289913103 432979294 /nfs/dbraw/zinc/97/92/94/432979294.db2.gz VEEBBYIVNSYFTB-UHFFFAOYSA-N 0 0 306.381 3.078 20 10 DGCDRN COCCN(Cc1ccccn1)Cc1c(O)cccc1Cl ZINC000289964890 432980583 /nfs/dbraw/zinc/98/05/83/432980583.db2.gz YTXIUQNQIOOTIH-UHFFFAOYSA-N 0 0 306.793 3.089 20 10 DGCDRN C[C@@H](CC[NH2+][C@H]1CCc2cccc(O)c21)NC(=O)OC(C)(C)C ZINC000297126998 432962782 /nfs/dbraw/zinc/96/27/82/432962782.db2.gz YUWSGZFQOUBFCK-JSGCOSHPSA-N 0 0 320.433 3.272 20 10 DGCDRN CN(C)C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(F)cc1 ZINC000290192248 433008358 /nfs/dbraw/zinc/00/83/58/433008358.db2.gz TUTOIPMMPHJTLV-GOSISDBHSA-N 0 0 314.404 3.153 20 10 DGCDRN CO[C@@H]1CCC[C@H](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000280252362 433024227 /nfs/dbraw/zinc/02/42/27/433024227.db2.gz LVSXESWHSDAXMU-FUHWJXTLSA-N 0 0 318.461 3.306 20 10 DGCDRN CC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccc(C)cc1O ZINC000280282106 433028655 /nfs/dbraw/zinc/02/86/55/433028655.db2.gz YOWBVCIGUYRXBX-GOSISDBHSA-N 0 0 320.477 3.242 20 10 DGCDRN COc1ccc(N(CCC(C)C)Cc2nnc(C)n2C)cc1 ZINC000280547090 433080951 /nfs/dbraw/zinc/08/09/51/433080951.db2.gz QECMGRPUXQHXLB-UHFFFAOYSA-N 0 0 302.422 3.185 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC12CCCC2 ZINC000353886078 289412695 /nfs/dbraw/zinc/41/26/95/289412695.db2.gz DYQMMFUBTZWHTJ-CQSZACIVSA-N 0 0 300.402 3.058 20 10 DGCDRN CC(C)OCc1cc(NS(=O)(=O)c2ccccc2)ccc1O ZINC000290564175 433098041 /nfs/dbraw/zinc/09/80/41/433098041.db2.gz SGNGHKHTDZVQMN-UHFFFAOYSA-N 0 0 321.398 3.118 20 10 DGCDRN COc1cc(Cl)cc(CN2C[C@@H](C)O[C@H](C3CC3)C2)c1O ZINC000373472896 433153813 /nfs/dbraw/zinc/15/38/13/433153813.db2.gz GOLKYWPVOXPCJH-BMIGLBTASA-N 0 0 311.809 3.054 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCC(OC2CCCCC2)CC1 ZINC000280622744 433112025 /nfs/dbraw/zinc/11/20/25/433112025.db2.gz LALLFCIMOAXQBM-UHFFFAOYSA-N 0 0 319.401 3.052 20 10 DGCDRN COC(C)(C)C(=O)CSc1ncc(-c2ccccc2)n1C ZINC000281058780 433258819 /nfs/dbraw/zinc/25/88/19/433258819.db2.gz TZCBHCPGGFOQNS-UHFFFAOYSA-N 0 0 304.415 3.173 20 10 DGCDRN CCCCS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000299068692 433313757 /nfs/dbraw/zinc/31/37/57/433313757.db2.gz NXBABKUBPYQROW-UHFFFAOYSA-N 0 0 312.479 3.093 20 10 DGCDRN COc1cccc(C[N@H+](C)CCCOCc2ccccc2)c1O ZINC000281337921 433288833 /nfs/dbraw/zinc/28/88/33/433288833.db2.gz SKPCCRZHKGLPQS-UHFFFAOYSA-N 0 0 315.413 3.440 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](F)CC1CCCCC1 ZINC000281333954 433290941 /nfs/dbraw/zinc/29/09/41/433290941.db2.gz VPRIRXSYPRIGFZ-SWLSCSKDSA-N 0 0 323.408 3.454 20 10 DGCDRN CCCc1nc(C)c(CNCc2ccc(N(C)C)c(F)c2)o1 ZINC000291653532 433300663 /nfs/dbraw/zinc/30/06/63/433300663.db2.gz DCGJRPRAQVVZLJ-UHFFFAOYSA-N 0 0 305.397 3.430 20 10 DGCDRN CC1(C)CN(Cc2cc3c(cc2O)OCO3)[C@@H]1c1cccnc1 ZINC000291870265 433377287 /nfs/dbraw/zinc/37/72/87/433377287.db2.gz JUWGODHBKYDGMM-QGZVFWFLSA-N 0 0 312.369 3.099 20 10 DGCDRN C[C@H]([NH2+][C@@H]1COc2ccccc2C1)c1ccc(F)c(F)c1[O-] ZINC000187676381 290028808 /nfs/dbraw/zinc/02/88/08/290028808.db2.gz NOYCHGZSLQLJHW-JQWIXIFHSA-N 0 0 305.324 3.325 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1nccc(C(F)(F)F)n1 ZINC000301248067 433469544 /nfs/dbraw/zinc/46/95/44/433469544.db2.gz BHKZZPCYLXGVHS-UHFFFAOYSA-N 0 0 310.323 3.482 20 10 DGCDRN CCN(CC)c1ccc(CN[C@H](C)c2cc(C)n(C)n2)cc1 ZINC000282062857 433483366 /nfs/dbraw/zinc/48/33/66/433483366.db2.gz GVAZUODFIFRAIH-OAHLLOKOSA-N 0 0 300.450 3.426 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000282119361 433501912 /nfs/dbraw/zinc/50/19/12/433501912.db2.gz AQPHAUNQUDQVRU-GOSISDBHSA-N 0 0 317.816 3.359 20 10 DGCDRN Oc1ccc2c(c1CNc1ccc3nccnc3n1)CCCC2 ZINC000301467609 433567786 /nfs/dbraw/zinc/56/77/86/433567786.db2.gz QQMPRFQBLWVQOA-UHFFFAOYSA-N 0 0 306.369 3.221 20 10 DGCDRN Cc1cc(Cn2cc(C(F)(F)F)ccc2=O)ccc1N(C)C ZINC000292640488 433582095 /nfs/dbraw/zinc/58/20/95/433582095.db2.gz JHOUUSNZADCNAG-UHFFFAOYSA-N 0 0 310.319 3.290 20 10 DGCDRN CCOc1cc(N2CC=C(c3c[nH]c4ncccc34)CC2)ncn1 ZINC000355457121 433547040 /nfs/dbraw/zinc/54/70/40/433547040.db2.gz MUCHXEOXRHYXAQ-UHFFFAOYSA-N 0 0 321.384 3.045 20 10 DGCDRN CCc1nc(C)c(C(=O)NCc2ccc(N(CC)CC)cc2)o1 ZINC000292969186 433606153 /nfs/dbraw/zinc/60/61/53/433606153.db2.gz IEMIZBVRKSJPFR-UHFFFAOYSA-N 0 0 315.417 3.322 20 10 DGCDRN C[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000282464062 433608287 /nfs/dbraw/zinc/60/82/87/433608287.db2.gz VTNMDWSXHBWEAS-YLVJLNSGSA-N 0 0 322.257 3.261 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cnn(CC)c1 ZINC000282451591 433608589 /nfs/dbraw/zinc/60/85/89/433608589.db2.gz IVGGTOIYICVMGC-UHFFFAOYSA-N 0 0 301.390 3.051 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1c[nH]c(C)cc1=O ZINC000282455662 433609527 /nfs/dbraw/zinc/60/95/27/433609527.db2.gz JEYBSQYMBFNRKC-UHFFFAOYSA-N 0 0 314.385 3.244 20 10 DGCDRN Cc1nc(N(C)Cc2ccc(N(C)C)cc2)ccc1[N+](=O)[O-] ZINC000301651620 433658487 /nfs/dbraw/zinc/65/84/87/433658487.db2.gz QFNJTLGBIDOZFI-UHFFFAOYSA-N 0 0 300.362 3.001 20 10 DGCDRN COc1ncc(Cl)c(NCc2ccc(N(C)C)cc2C)n1 ZINC000301721527 433697146 /nfs/dbraw/zinc/69/71/46/433697146.db2.gz MYLHACHMRSUHIC-UHFFFAOYSA-N 0 0 306.797 3.125 20 10 DGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C(C)(F)F ZINC000293516746 433765649 /nfs/dbraw/zinc/76/56/49/433765649.db2.gz XSBYDVQPJFOEBL-UHFFFAOYSA-N 0 0 322.149 3.158 20 10 DGCDRN CN1CCCc2cc(CNc3ccc(C(F)(F)F)nn3)ccc21 ZINC000301892129 433777779 /nfs/dbraw/zinc/77/77/79/433777779.db2.gz ABLMOPSDLUULLJ-UHFFFAOYSA-N 0 0 322.334 3.490 20 10 DGCDRN CN(C)c1ccc(CNc2nnc(-c3ccccn3)s2)cc1 ZINC000302012864 433808126 /nfs/dbraw/zinc/80/81/26/433808126.db2.gz DFJYFOAQLXIQQX-UHFFFAOYSA-N 0 0 311.414 3.278 20 10 DGCDRN CCc1ncnc(NCc2ccc3c(c2)CCCN3C)c1F ZINC000301966077 433808583 /nfs/dbraw/zinc/80/85/83/433808583.db2.gz KNNASQRJGIYMGL-UHFFFAOYSA-N 0 0 300.381 3.173 20 10 DGCDRN CO[C@@H](C[NH2+][C@H](C)c1ccc(Br)cc1O)C1CC1 ZINC000293636850 433810763 /nfs/dbraw/zinc/81/07/63/433810763.db2.gz GWCYGRCLQINYFK-OTYXRUKQSA-N 0 0 314.223 3.230 20 10 DGCDRN C[C@@H](COCC(F)(F)F)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293802446 433875951 /nfs/dbraw/zinc/87/59/51/433875951.db2.gz CCEHNDCDWSRXBZ-ZETCQYMHSA-N 0 0 315.694 3.242 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC000363086600 433966950 /nfs/dbraw/zinc/96/69/50/433966950.db2.gz BBXLPSUTVWGYDR-RBUKOAKNSA-N 0 0 323.440 3.300 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccc([C@H]3CCOC3)cc2)c(O)c1O ZINC000294025618 433969385 /nfs/dbraw/zinc/96/93/85/433969385.db2.gz FKVALASUQGQJBV-ZDUSSCGKSA-N 0 0 313.353 3.162 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@H](C)C2)cc1 ZINC000363446862 434055055 /nfs/dbraw/zinc/05/50/55/434055055.db2.gz PUKMVMVARCWDEC-AWEZNQCLSA-N 0 0 312.413 3.203 20 10 DGCDRN C[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1n1ccnc1 ZINC000294434610 434112088 /nfs/dbraw/zinc/11/20/88/434112088.db2.gz XNEGPKNLIXEQKY-NHYWBVRUSA-N 0 0 323.799 3.464 20 10 DGCDRN Nc1ccc(CC(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000378213517 434113799 /nfs/dbraw/zinc/11/37/99/434113799.db2.gz VTMOWGWDKJNFPZ-QGZVFWFLSA-N 0 0 316.351 3.453 20 10 DGCDRN O=C(/C=C/c1cncs1)N1C[C@H]2CCCN2c2ccccc21 ZINC000493569613 294001856 /nfs/dbraw/zinc/00/18/56/294001856.db2.gz UVJXTXXSMFYZCS-SBDDDAINSA-N 0 0 311.410 3.172 20 10 DGCDRN C[NH+](C)[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000294754299 434135025 /nfs/dbraw/zinc/13/50/25/434135025.db2.gz RPSANJLLEVVYJZ-GFCCVEGCSA-N 0 0 300.805 3.101 20 10 DGCDRN Cn1c(-c2ccccc2)cnc1SC[C@H]1CCNC(=O)CC1 ZINC000294961984 434154306 /nfs/dbraw/zinc/15/43/06/434154306.db2.gz KBZITEGSFFMLLI-CYBMUJFWSA-N 0 0 315.442 3.096 20 10 DGCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])c2ccccc2O1 ZINC000294979693 434160218 /nfs/dbraw/zinc/16/02/18/434160218.db2.gz GKIAYOPQCXIRJA-IAQYHMDHSA-N 0 0 314.341 3.302 20 10 DGCDRN O=C(N[C@H](c1ccccc1)c1ccccn1)c1cccc(O)c1O ZINC000363922873 434180248 /nfs/dbraw/zinc/18/02/48/434180248.db2.gz GHMINHHCWJDGHC-QGZVFWFLSA-N 0 0 320.348 3.012 20 10 DGCDRN Cc1csc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000295125173 434212749 /nfs/dbraw/zinc/21/27/49/434212749.db2.gz HLYRBKXVWOTLMR-UHFFFAOYSA-N 0 0 302.399 3.162 20 10 DGCDRN Cn1ccnc1[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000365821337 434310172 /nfs/dbraw/zinc/31/01/72/434310172.db2.gz PYOZXPUFEBSEFA-CYBMUJFWSA-N 0 0 305.809 3.159 20 10 DGCDRN CC[C@@H]([NH2+][C@H](CCO)COC)c1cc(Cl)cc(Cl)c1[O-] ZINC000287281830 434325970 /nfs/dbraw/zinc/32/59/70/434325970.db2.gz BMOZJFBDIMEDOU-ZWNOBZJWSA-N 0 0 322.232 3.137 20 10 DGCDRN Cc1nc(-c2cccc(NC(=O)c3cccc(O)c3O)c2)[nH]c1C ZINC000366076414 434326359 /nfs/dbraw/zinc/32/63/59/434326359.db2.gz ZAUOKZYMLBBIIE-UHFFFAOYSA-N 0 0 323.352 3.357 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000366150888 434345565 /nfs/dbraw/zinc/34/55/65/434345565.db2.gz GCLFOKKAMYHLER-HNNXBMFYSA-N 0 0 311.381 3.193 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(Cl)nn1 ZINC000295867887 434440150 /nfs/dbraw/zinc/44/01/50/434440150.db2.gz FLWYHSVXIHWTKZ-UHFFFAOYSA-N 0 0 319.792 3.278 20 10 DGCDRN CC[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1ccc(F)cc1[O-] ZINC000367602265 434552494 /nfs/dbraw/zinc/55/24/94/434552494.db2.gz SFFAQBSMZAUJMB-SZMVWBNQSA-N 0 0 301.361 3.230 20 10 DGCDRN O=C([C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-])N1CCCC1 ZINC000368460626 434573851 /nfs/dbraw/zinc/57/38/51/434573851.db2.gz APLGFLAMFHMQBK-HNNXBMFYSA-N 0 0 322.836 3.023 20 10 DGCDRN CCN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ncccc1C ZINC000492568865 435014983 /nfs/dbraw/zinc/01/49/83/435014983.db2.gz TURCTBTVZKGZNJ-ZHACJKMWSA-N 0 0 311.341 3.365 20 10 DGCDRN COc1cncc(/C=C\C(=O)N(C)c2cccc3ncccc32)c1 ZINC000492437544 434981624 /nfs/dbraw/zinc/98/16/24/434981624.db2.gz IDEFEBPTYFJNKX-HJWRWDBZSA-N 0 0 319.364 3.315 20 10 DGCDRN Cc1ccncc1/C=C\C(=O)N(C[C@@H]1CCCO1)c1ccncc1 ZINC000492496093 434995647 /nfs/dbraw/zinc/99/56/47/434995647.db2.gz ZTQXBVUFBLENDA-XDXAGZTOSA-N 0 0 323.396 3.010 20 10 DGCDRN Cc1ccc(/C=C\C(=O)N(C[C@H]2CCCO2)c2ccncc2)cn1 ZINC000492551628 435010907 /nfs/dbraw/zinc/01/09/07/435010907.db2.gz ULXXKDPSEVRYIQ-HPFMTEOYSA-N 0 0 323.396 3.010 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCSC[C@@H]1c1ccccc1 ZINC000185665312 304549338 /nfs/dbraw/zinc/54/93/38/304549338.db2.gz STRYTUHOVFWNLO-CQSZACIVSA-N 0 0 315.394 3.028 20 10 DGCDRN CC(C)(C)c1ncc2c(n1)CCN(Cc1cc(F)ccc1O)C2 ZINC000529640209 435038430 /nfs/dbraw/zinc/03/84/30/435038430.db2.gz HAYBNHOKHYSACV-UHFFFAOYSA-N 0 0 315.392 3.177 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C\c2scnc2C)cc1OC ZINC000492748691 435044123 /nfs/dbraw/zinc/04/41/23/435044123.db2.gz YKZFSEWISGIYBE-FPLPWBNLSA-N 0 0 318.398 3.145 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1(C)CCCCC1 ZINC000530562999 435046074 /nfs/dbraw/zinc/04/60/74/435046074.db2.gz JVALLGHTJYFHTC-UHFFFAOYSA-N 0 0 302.418 3.448 20 10 DGCDRN O=C(/C=C/c1cncs1)N1CCN(C2CC2)c2ccccc21 ZINC000493230130 435130230 /nfs/dbraw/zinc/13/02/30/435130230.db2.gz KINXUCSTYSFIQJ-BQYQJAHWSA-N 0 0 311.410 3.172 20 10 DGCDRN COC1=CC(C(=O)Nc2ccc(-c3ccncc3)c(C)c2)=S=C1 ZINC000561091172 435200198 /nfs/dbraw/zinc/20/01/98/435200198.db2.gz UBQAHEITAJHTSX-UHFFFAOYSA-N 0 0 324.405 3.247 20 10 DGCDRN Cc1cncc(/C=C/C(=O)N(C)c2cnc3ccccc3n2)c1 ZINC000493359758 435155250 /nfs/dbraw/zinc/15/52/50/435155250.db2.gz XAADTIDELKZKHI-BQYQJAHWSA-N 0 0 304.353 3.009 20 10 DGCDRN CCC[C@H](NCc1c(C)c2ccccc2n1C)C(=O)OCC ZINC000481569113 435432845 /nfs/dbraw/zinc/43/28/45/435432845.db2.gz DCJMOUHKCUUBBL-HNNXBMFYSA-N 0 0 302.418 3.308 20 10 DGCDRN CCN(C(=O)/C=C/c1cncc(F)c1)c1ccc(OC)cc1 ZINC000491519263 435765315 /nfs/dbraw/zinc/76/53/15/435765315.db2.gz ICIYTSVXRFRXJE-RUDMXATFSA-N 0 0 300.333 3.296 20 10 DGCDRN O=C(/C=C/c1cncc(F)c1)N1C[C@@H]2CCCN2c2ccccc21 ZINC000491531689 435766224 /nfs/dbraw/zinc/76/62/24/435766224.db2.gz HXKKDEPRHOKHQF-WAVCKPEOSA-N 0 0 323.371 3.250 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@H]1C1CC1 ZINC000363474212 332096243 /nfs/dbraw/zinc/09/62/43/332096243.db2.gz KABYREVROJFEJD-SFHVURJKSA-N 0 0 313.445 3.371 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC1(CCO)CCCC1 ZINC000293561107 335109223 /nfs/dbraw/zinc/10/92/23/335109223.db2.gz IDBUUHKXHWJZQX-UHFFFAOYSA-N 0 0 301.789 3.217 20 10 DGCDRN COc1ccc(N(Cc2ccco2)Cc2nnc(C)o2)cc1F ZINC000150862885 332673924 /nfs/dbraw/zinc/67/39/24/332673924.db2.gz VOMQVSOGAQBHHR-UHFFFAOYSA-N 0 0 317.320 3.326 20 10 DGCDRN COc1cccc(CNc2nc(C(F)(F)F)cs2)c1O ZINC000269271102 333999938 /nfs/dbraw/zinc/99/99/38/333999938.db2.gz DJKJZULKLOCCMW-UHFFFAOYSA-N 0 0 304.293 3.488 20 10 DGCDRN Cc1nc(Cl)cc(NCc2ccc3c(c2)CCCN3C)n1 ZINC000301155056 336292300 /nfs/dbraw/zinc/29/23/00/336292300.db2.gz POKHTZMMRPLWQN-UHFFFAOYSA-N 0 0 302.809 3.433 20 10 DGCDRN Cc1cc(C(=O)N2CC[C@H](C3CC3)C2)c(C)n1-c1ccccn1 ZINC000378320255 337069762 /nfs/dbraw/zinc/06/97/62/337069762.db2.gz UNWWWBYAESLOCA-INIZCTEOSA-N 0 0 309.413 3.361 20 10 DGCDRN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1cncs1 ZINC000255375064 337602063 /nfs/dbraw/zinc/60/20/63/337602063.db2.gz MOPDLHDABGLBMR-YHYXMXQVSA-N 0 0 315.423 3.476 20 10 DGCDRN O=C(/C=C/c1cncc(F)c1)N1C[C@H]2CCCN2c2ccccc21 ZINC000491531687 339865578 /nfs/dbraw/zinc/86/55/78/339865578.db2.gz HXKKDEPRHOKHQF-KXPUMZMLSA-N 0 0 323.371 3.250 20 10 DGCDRN Cc1ccc(/C=C\C(=O)N2C[C@H]3CCCN3c3ccccc32)cn1 ZINC000492430066 339900529 /nfs/dbraw/zinc/90/05/29/339900529.db2.gz SSXBKYYVJFHPNU-QXPKXGMISA-N 0 0 319.408 3.419 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@H](C)Cc2ccccc2C)c1 ZINC000528863744 340737457 /nfs/dbraw/zinc/73/74/57/340737457.db2.gz PRVXIXFREFQEEW-CQSZACIVSA-N 0 0 313.397 3.204 20 10 DGCDRN C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000173024710 534008853 /nfs/dbraw/zinc/00/88/53/534008853.db2.gz RVFYVBUIMCTLQI-LALPHHSUSA-N 0 0 324.371 3.029 20 10 DGCDRN CN(C(=O)/C=C\c1ccc(Cl)nc1)c1ccc2c(c1)OCO2 ZINC000255366591 517888626 /nfs/dbraw/zinc/88/86/26/517888626.db2.gz RSZNFOYTYQNEGS-CLTKARDFSA-N 0 0 316.744 3.140 20 10 DGCDRN CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000182658207 518665121 /nfs/dbraw/zinc/66/51/21/518665121.db2.gz HKLRJTYEIMMRRX-UHFFFAOYSA-N 0 0 312.841 3.076 20 10 DGCDRN CC(=O)CCCC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000185675111 519403510 /nfs/dbraw/zinc/40/35/10/519403510.db2.gz ZARXQMBOHXXJII-UHFFFAOYSA-N 0 0 316.445 3.298 20 10 DGCDRN Cc1nc(N(C)Cc2ccccc2O)ccc1Br ZINC000302591615 534440147 /nfs/dbraw/zinc/44/01/47/534440147.db2.gz AEYMWCQJSDVWIK-UHFFFAOYSA-N 0 0 307.191 3.495 20 10 DGCDRN CC(C)[C@H](CNC(=O)NCc1ccccc1O)c1cccnc1 ZINC000267651758 519815558 /nfs/dbraw/zinc/81/55/58/519815558.db2.gz WFVYADPBDZCNLT-INIZCTEOSA-N 0 0 313.401 3.026 20 10 DGCDRN CC(C)c1cc(C(=O)NCc2ccc(N3CCCC3)cc2)no1 ZINC000179705073 519832297 /nfs/dbraw/zinc/83/22/97/519832297.db2.gz VCDJUPIEWXPRMG-UHFFFAOYSA-N 0 0 313.401 3.328 20 10 DGCDRN Oc1ccc(F)cc1CN1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000180059323 534454795 /nfs/dbraw/zinc/45/47/95/534454795.db2.gz PZVXIEYYVUKJBL-KRWDZBQOSA-N 0 0 323.314 3.383 20 10 DGCDRN CCCCN(CC)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000264688363 520453991 /nfs/dbraw/zinc/45/39/91/520453991.db2.gz COKLHWRCHYJRPT-DHZHZOJOSA-N 0 0 316.445 3.185 20 10 DGCDRN CCN(CC)c1ccc(CNCc2csc(COC)n2)cc1 ZINC000266191828 520907264 /nfs/dbraw/zinc/90/72/64/520907264.db2.gz ISWJRRWKFACWNZ-UHFFFAOYSA-N 0 0 319.474 3.426 20 10 DGCDRN CCOc1ccc(O)c(CNCc2csc([C@H](C)OC)n2)c1 ZINC000267672952 521153705 /nfs/dbraw/zinc/15/37/05/521153705.db2.gz ZQKKMDOBGAXQAA-NSHDSACASA-N 0 0 322.430 3.245 20 10 DGCDRN CCCN(CCC)C(=O)CCCC(=O)Nc1ccc(N)cc1 ZINC000236979110 521633386 /nfs/dbraw/zinc/63/33/86/521633386.db2.gz JSLBSXXFVFQVKA-UHFFFAOYSA-N 0 0 305.422 3.026 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCC1(C)CCOCC1 ZINC000267836852 521687625 /nfs/dbraw/zinc/68/76/25/521687625.db2.gz LWJNGXPAEBYJON-UHFFFAOYSA-N 0 0 320.433 3.131 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccncc1C ZINC000188244241 521688326 /nfs/dbraw/zinc/68/83/26/521688326.db2.gz PCLKIXGGURVIHZ-UHFFFAOYSA-N 0 0 313.401 3.217 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1c(C)noc1C ZINC000265457509 521688565 /nfs/dbraw/zinc/68/85/65/521688565.db2.gz DPIXAIFDJBYDNW-UHFFFAOYSA-N 0 0 303.362 3.441 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC000364551668 521689138 /nfs/dbraw/zinc/68/91/38/521689138.db2.gz XKSRZZARYXLBBX-DLBZAZTESA-N 0 0 310.397 3.330 20 10 DGCDRN CCS[C@@H](C)c1noc(CN(C)c2ccc3c(c2)OCO3)n1 ZINC000121411606 521721379 /nfs/dbraw/zinc/72/13/79/521721379.db2.gz HANOJXRTRBUKDL-JTQLQIEISA-N 0 0 321.402 3.249 20 10 DGCDRN CN(C)c1ccc(CN(C)c2ncc(Cl)cc2[N+](=O)[O-])cc1 ZINC000153528059 522173339 /nfs/dbraw/zinc/17/33/39/522173339.db2.gz FYODHLSPDPHHFV-UHFFFAOYSA-N 0 0 320.780 3.346 20 10 DGCDRN CN(C)c1cccc(CCC(=O)N(C)Cc2ccccc2O)c1 ZINC000189149153 522262714 /nfs/dbraw/zinc/26/27/14/522262714.db2.gz CYOKXJMJSWCOBQ-UHFFFAOYSA-N 0 0 312.413 3.049 20 10 DGCDRN COc1cc(N(C)Cc2cc(F)ccc2O)cc(OC)c1OC ZINC000180757559 522622132 /nfs/dbraw/zinc/62/21/32/522622132.db2.gz LAOQFZGXQXXBBZ-UHFFFAOYSA-N 0 0 321.348 3.194 20 10 DGCDRN COc1cc(N(C)Cc2cc(C)ccc2O)cc(OC)c1OC ZINC000180756681 522623084 /nfs/dbraw/zinc/62/30/84/522623084.db2.gz UGWLTTVAGRZAMI-UHFFFAOYSA-N 0 0 317.385 3.363 20 10 DGCDRN COc1cc(NCc2cc(OC)c(OC)cc2O)ccc1F ZINC000188805576 522747165 /nfs/dbraw/zinc/74/71/65/522747165.db2.gz MJHNKFJJNYIFAN-UHFFFAOYSA-N 0 0 307.321 3.169 20 10 DGCDRN COC[C@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000266009916 522844034 /nfs/dbraw/zinc/84/40/34/522844034.db2.gz OYFFKSMQBZMNMW-INIZCTEOSA-N 0 0 312.413 3.203 20 10 DGCDRN CC[C@@H](OC1CCCCC1)C(=O)NCCc1ccc(N)cc1 ZINC000152547252 523033726 /nfs/dbraw/zinc/03/37/26/523033726.db2.gz WTIYJZVSBJARAE-QGZVFWFLSA-N 0 0 304.434 3.055 20 10 DGCDRN CN(Cc1ccc([S@@](C)=O)cc1)Cc1c(O)cccc1Cl ZINC000131734949 523277263 /nfs/dbraw/zinc/27/72/63/523277263.db2.gz IHYKQVSPEOGALJ-NRFANRHFSA-N 0 0 323.845 3.415 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000180255929 523382480 /nfs/dbraw/zinc/38/24/80/523382480.db2.gz PASKOSZFRBUBLB-UHFFFAOYSA-N 0 0 311.385 3.048 20 10 DGCDRN CCc1cc(O)ccc1NS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000189426915 523829803 /nfs/dbraw/zinc/82/98/03/523829803.db2.gz TTWKAQCQRVNBMX-UHFFFAOYSA-N 0 0 317.410 3.244 20 10 DGCDRN COc1ccc(C2(NC(=O)Cc3ccc(N)cc3)CCCC2)cc1 ZINC000237500103 523868189 /nfs/dbraw/zinc/86/81/89/523868189.db2.gz MHGCHKHFGUGCRF-UHFFFAOYSA-N 0 0 324.424 3.406 20 10 DGCDRN Cc1cc(C(=O)NCc2[nH]cnc2C)c(C)n1-c1cccc(C)c1 ZINC000266975875 524113201 /nfs/dbraw/zinc/11/32/01/524113201.db2.gz NUSDMGCHZIPJOI-UHFFFAOYSA-N 0 0 322.412 3.364 20 10 DGCDRN COc1ccc(N(C)Cc2cccc(NC(C)=O)c2)c(OC)c1 ZINC000132076273 524352321 /nfs/dbraw/zinc/35/23/21/524352321.db2.gz AQSNULHBCXTIDG-UHFFFAOYSA-N 0 0 314.385 3.299 20 10 DGCDRN COc1ccc(N(C)CCOCC(F)(F)C(F)F)cc1F ZINC000189545471 524352369 /nfs/dbraw/zinc/35/23/69/524352369.db2.gz XAVCFFXCCVMDGS-UHFFFAOYSA-N 0 0 313.266 3.188 20 10 DGCDRN COc1ccc(N(Cc2ccco2)Cc2noc(C)n2)cc1F ZINC000265788819 524369352 /nfs/dbraw/zinc/36/93/52/524369352.db2.gz LWBFHRRCYOJQSJ-UHFFFAOYSA-N 0 0 317.320 3.326 20 10 DGCDRN COc1ccc([C@H](NC(=O)Cc2ccc(N)cc2)C(C)C)cc1 ZINC000237268922 525367702 /nfs/dbraw/zinc/36/77/02/525367702.db2.gz QSPPTFGYVADLGA-LJQANCHMSA-N 0 0 312.413 3.333 20 10 DGCDRN Cc1ccc(OCCC(=O)NCCc2ccc(N)cc2)cc1C ZINC000237704952 525402151 /nfs/dbraw/zinc/40/21/51/525402151.db2.gz ALQRIXGDVALEMP-UHFFFAOYSA-N 0 0 312.413 3.013 20 10 DGCDRN Cc1ccc(OCCCCNC(=O)Cc2ccc(N)cc2)cc1 ZINC000237714160 525407556 /nfs/dbraw/zinc/40/75/56/525407556.db2.gz AURCXQSSUOLIIV-UHFFFAOYSA-N 0 0 312.413 3.095 20 10 DGCDRN Cc1cccnc1[C@@H](NC(=O)NCc1ccccc1O)C(C)C ZINC000265240680 525545844 /nfs/dbraw/zinc/54/58/44/525545844.db2.gz OWBVCUWLVUMMSP-INIZCTEOSA-N 0 0 313.401 3.292 20 10 DGCDRN C[C@H](OCCCNC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000237575340 525901028 /nfs/dbraw/zinc/90/10/28/525901028.db2.gz CQLODVCNFFGQMU-HNNXBMFYSA-N 0 0 312.413 3.095 20 10 DGCDRN Cc1cc(C(=O)N(C)CC[C@@H](C)O)c(C)n1-c1ccc(F)cc1 ZINC000267233477 526220339 /nfs/dbraw/zinc/22/03/39/526220339.db2.gz RVJRVXFGQAOAJB-CYBMUJFWSA-N 0 0 318.392 3.076 20 10 DGCDRN Cc1cc(C(=O)NCC(C)(C)CCO)c(C)n1-c1ccccc1 ZINC000268930343 526265303 /nfs/dbraw/zinc/26/53/03/526265303.db2.gz XVQHHFATSSHBHZ-UHFFFAOYSA-N 0 0 314.429 3.233 20 10 DGCDRN Cc1noc(C)c1[C@@H](C)CC(=O)N(C)Cc1ccccc1O ZINC000159081357 526557164 /nfs/dbraw/zinc/55/71/64/526557164.db2.gz GTEYCHTVHKUXBE-NSHDSACASA-N 0 0 302.374 3.149 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CC1(Cl)Cl ZINC000156349991 526636929 /nfs/dbraw/zinc/63/69/29/526636929.db2.gz AGRMBVDYBJOAKD-GFCCVEGCSA-N 0 0 314.212 3.081 20 10 DGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]CCCC(F)(F)F)c1[O-] ZINC000266537521 527333018 /nfs/dbraw/zinc/33/30/18/527333018.db2.gz GPHORSYYESUCEN-UHFFFAOYSA-N 0 0 312.675 3.386 20 10 DGCDRN Nc1ccc(CC(=O)NCC2(c3ccc(Cl)cc3)CC2)cc1 ZINC000237898688 527476802 /nfs/dbraw/zinc/47/68/02/527476802.db2.gz VGUABPFOCHFIQK-UHFFFAOYSA-N 0 0 314.816 3.313 20 10 DGCDRN Nc1ccc(CCNC(=O)[C@@H]2C[C@]23CCCc2ccccc23)cc1 ZINC000238078398 527480909 /nfs/dbraw/zinc/48/09/09/527480909.db2.gz XPGUKAYQIFUUNW-FPOVZHCZSA-N 0 0 320.436 3.222 20 10 DGCDRN Nc1ccc(NC(=O)c2ccc(OC3CCOCC3)cc2)cc1 ZINC000160371106 527495228 /nfs/dbraw/zinc/49/52/28/527495228.db2.gz IPMFTWPZSRYMFE-UHFFFAOYSA-N 0 0 312.369 3.079 20 10 DGCDRN Nc1ccc(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)cc1 ZINC000238033148 527495286 /nfs/dbraw/zinc/49/52/86/527495286.db2.gz YKPINJQERJNFLF-QGZVFWFLSA-N 0 0 312.369 3.079 20 10 DGCDRN OCCSCc1ccnc(NCc2c(O)cccc2Cl)c1 ZINC000130161008 527560221 /nfs/dbraw/zinc/56/02/21/527560221.db2.gz XNYPTBKYZANQKZ-UHFFFAOYSA-N 0 0 324.833 3.278 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@]1(CO)CCc2ccccc21 ZINC000365168245 527604452 /nfs/dbraw/zinc/60/44/52/527604452.db2.gz ISMNAEJUJYGBJS-KRWDZBQOSA-N 0 0 321.779 3.108 20 10 DGCDRN CC(C)OCCCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000184145976 527916112 /nfs/dbraw/zinc/91/61/12/527916112.db2.gz IVIBBGVDKFGBBD-UHFFFAOYSA-N 0 0 304.434 3.108 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)c1ncc(C)cc1[N+](=O)[O-] ZINC000301784567 528785955 /nfs/dbraw/zinc/78/59/55/528785955.db2.gz UPAONUARGGZZDM-UHFFFAOYSA-N 0 0 314.389 3.391 20 10 DGCDRN COc1cc(C)ccc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273588433 536653435 /nfs/dbraw/zinc/65/34/35/536653435.db2.gz OMPZDZOYLFHYMB-GFCCVEGCSA-N 0 0 316.357 3.468 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCOC2CCCC2)c1 ZINC000273585165 536793890 /nfs/dbraw/zinc/79/38/90/536793890.db2.gz NOXOVKIAMYYZNY-ZDUSSCGKSA-N 0 0 321.417 3.179 20 10 DGCDRN COc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1F ZINC000273417937 536896962 /nfs/dbraw/zinc/89/69/62/536896962.db2.gz RFQQTNWRSMRKAA-JTQLQIEISA-N 0 0 320.320 3.299 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCCc3cccnc32)cc1 ZINC000195345895 546255281 /nfs/dbraw/zinc/25/52/81/546255281.db2.gz KQWCERARUIWWEO-GOSISDBHSA-N 0 0 323.440 3.226 20 10 DGCDRN Oc1cc2c(cc1C[N@@H+]1CC[C@H](c3ccccc3F)C1)OCO2 ZINC000730454897 574529669 /nfs/dbraw/zinc/52/96/69/574529669.db2.gz PNUWEAPSODSWFJ-LBPRGKRZSA-N 0 0 315.344 3.250 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cn2ccccc2n1 ZINC000730589248 574532395 /nfs/dbraw/zinc/53/23/95/574532395.db2.gz MIQGEDOCLPYGTC-UHFFFAOYSA-N 0 0 309.369 3.092 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1cocn1 ZINC000730804206 574536291 /nfs/dbraw/zinc/53/62/91/574536291.db2.gz YIYXKVRQYRSQHT-UHFFFAOYSA-N 0 0 309.369 3.321 20 10 DGCDRN CCn1c2cccc(F)c2nc1/C(Cl)=C/c1cn(C)nn1 ZINC000741467484 574550585 /nfs/dbraw/zinc/55/05/85/574550585.db2.gz OOGTZULXROHQIS-YFHOEESVSA-N 0 0 305.744 3.061 20 10 DGCDRN CCN(Cc1ccc(OC)c(OC)c1)C(=O)C1=CC(=O)CS1 ZINC000731863828 574560456 /nfs/dbraw/zinc/56/04/56/574560456.db2.gz FLZVNQXVTQCVLX-UHFFFAOYSA-N 0 0 321.398 3.133 20 10 DGCDRN O=C(NCc1ccc(OC2CCCC2)nc1)C1=CC(=O)CS1 ZINC000731872155 574560597 /nfs/dbraw/zinc/56/05/97/574560597.db2.gz XOKJPAIVFUKKRH-UHFFFAOYSA-N 0 0 318.398 3.100 20 10 DGCDRN CN(Cc1ccc(OC(F)F)cc1)C(=O)C1=CC(=O)CS1 ZINC000731865746 574560713 /nfs/dbraw/zinc/56/07/13/574560713.db2.gz GGIPUXABSFCJLR-UHFFFAOYSA-N 0 0 313.325 3.327 20 10 DGCDRN Cc1ccc(-c2cc(NC(=O)C3=CC(=O)CS3)n[nH]2)s1 ZINC000731872321 574560735 /nfs/dbraw/zinc/56/07/35/574560735.db2.gz DPZNCDZIGCOOPH-UHFFFAOYSA-N 0 0 305.384 3.466 20 10 DGCDRN CSc1ccc(C(=O)COC(=O)C2=CC(=O)CS2)cc1 ZINC000731912207 574561756 /nfs/dbraw/zinc/56/17/56/574561756.db2.gz QNVJSVPSBOMOFT-UHFFFAOYSA-N 0 0 308.380 3.215 20 10 DGCDRN O=C(NCC1([NH+]2CCCCC2)CCCCC1)C1=CC(=O)CS1 ZINC000732265285 574569221 /nfs/dbraw/zinc/56/92/21/574569221.db2.gz SQTQAINTRRWILY-UHFFFAOYSA-N 0 0 322.474 3.372 20 10 DGCDRN COCCN(Cc1ccc(C)cc1C)C(=O)C1=CC(=O)CS1 ZINC000732268287 574569581 /nfs/dbraw/zinc/56/95/81/574569581.db2.gz GBIQMKJWQPXZTH-UHFFFAOYSA-N 0 0 319.426 3.359 20 10 DGCDRN O=C(NCc1ccnc(OC2CCCC2)c1)C1=CC(=O)CS1 ZINC000732270036 574569698 /nfs/dbraw/zinc/56/96/98/574569698.db2.gz OABLUPKISSIWQX-UHFFFAOYSA-N 0 0 318.398 3.100 20 10 DGCDRN O=C(NCc1csc(Br)c1)C1=CC(=O)CS1 ZINC000732271407 574569786 /nfs/dbraw/zinc/56/97/86/574569786.db2.gz WCLSDJFXGJPSBI-UHFFFAOYSA-N 0 0 318.217 3.208 20 10 DGCDRN O=C(Nc1cccc(N2CCCCC2=O)c1)C1=CC(=O)CS1 ZINC000732271522 574569959 /nfs/dbraw/zinc/56/99/59/574569959.db2.gz IQTKEMQLUSDXTR-UHFFFAOYSA-N 0 0 316.382 3.223 20 10 DGCDRN CC(=O)Nc1c(C)ccc(NC(=O)C2=CC(=O)CS2)c1C ZINC000732275348 574570056 /nfs/dbraw/zinc/57/00/56/574570056.db2.gz WOCGHBGJVWIFLV-UHFFFAOYSA-N 0 0 304.371 3.281 20 10 DGCDRN Cc1cc(NC(=O)C2=CC(=O)CS2)n(Cc2ccccc2)n1 ZINC000732276774 574570175 /nfs/dbraw/zinc/57/01/75/574570175.db2.gz QJQFWEHSKYAOOH-UHFFFAOYSA-N 0 0 313.382 3.259 20 10 DGCDRN CC(C)c1ccccc1OCCNC(=O)C1=CC(=O)CS1 ZINC000732302490 574570296 /nfs/dbraw/zinc/57/02/96/574570296.db2.gz HXMZIVCFLJAPDX-UHFFFAOYSA-N 0 0 305.399 3.386 20 10 DGCDRN O=C(NCc1sccc1Br)C1=CC(=O)CS1 ZINC000732279212 574570454 /nfs/dbraw/zinc/57/04/54/574570454.db2.gz KTBYRVWIKHBGAW-UHFFFAOYSA-N 0 0 318.217 3.208 20 10 DGCDRN O=C(O[C@H]1CCCc2ccccc2C1=O)C1=CC(=O)CS1 ZINC000732353053 574572182 /nfs/dbraw/zinc/57/21/82/574572182.db2.gz KWUHMEYUZYGEKA-ZDUSSCGKSA-N 0 0 302.351 3.198 20 10 DGCDRN Cc1ccc(NC(=O)[C@H](C)OC(=O)C2=CC(=O)CS2)c(F)c1 ZINC000732353500 574572191 /nfs/dbraw/zinc/57/21/91/574572191.db2.gz RLKBYVJLRFFNLI-VIFPVBQESA-N 0 0 323.345 3.085 20 10 DGCDRN CCc1ccccc1NC(=O)[C@@H](C)OC(=O)C1=CC(=O)CS1 ZINC000732352729 574572263 /nfs/dbraw/zinc/57/22/63/574572263.db2.gz DGWAZJYNRJNGNO-SNVBAGLBSA-N 0 0 319.382 3.200 20 10 DGCDRN C[C@@H]1CCC[C@H](OCC(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000732936194 574588719 /nfs/dbraw/zinc/58/87/19/574588719.db2.gz SJZBVADWGKKVQU-HIFRSBDPSA-N 0 0 322.424 3.103 20 10 DGCDRN COc1ccc(-n2c(C)cc(C(=O)OCCCCO)c2C)cc1 ZINC000733398324 574619752 /nfs/dbraw/zinc/61/97/52/574619752.db2.gz FSAWAOSLDCKYCE-UHFFFAOYSA-N 0 0 317.385 3.032 20 10 DGCDRN O=C(OCc1cc2ccccc2[nH]c1=O)C1=CC(=O)CS1 ZINC000733496989 574625920 /nfs/dbraw/zinc/62/59/20/574625920.db2.gz OTPSQCLESKVMNA-UHFFFAOYSA-N 0 0 301.323 3.065 20 10 DGCDRN COC[C@H](C)OC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000733705992 574635158 /nfs/dbraw/zinc/63/51/58/574635158.db2.gz DEABLRLTULFCCF-ZDUSSCGKSA-N 0 0 317.385 3.294 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2CCC[C@H](C(C)C)C2)c1 ZINC000734070136 574649751 /nfs/dbraw/zinc/64/97/51/574649751.db2.gz CFBDDOPICCKMBJ-DZGCQCFKSA-N 0 0 320.433 3.415 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@H](C)c2ccc(C)s2)c1 ZINC000734065805 574649825 /nfs/dbraw/zinc/64/98/25/574649825.db2.gz IHBKROAKDYAUFQ-LLVKDONJSA-N 0 0 320.414 3.331 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(F)(F)c1ccccc1 ZINC000734407338 574659954 /nfs/dbraw/zinc/65/99/54/574659954.db2.gz OGMVIKIZGBLDEH-UHFFFAOYSA-N 0 0 318.367 3.469 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCCC[C@H]1C ZINC000734517950 574664544 /nfs/dbraw/zinc/66/45/44/574664544.db2.gz VSVHKMMPELOJNG-CXAGYDPISA-N 0 0 303.450 3.439 20 10 DGCDRN COC(=O)[C@H](c1cccc(Cl)c1)N(C)Cc1ccccc1O ZINC000735494508 574704072 /nfs/dbraw/zinc/70/40/72/574704072.db2.gz ZCVLAMWPIBXJNB-INIZCTEOSA-N 0 0 319.788 3.392 20 10 DGCDRN COc1ccc(N2CCCN(CC(F)(F)C(F)F)CC2)cc1 ZINC000736621428 574761242 /nfs/dbraw/zinc/76/12/42/574761242.db2.gz NAOWYBZUFHSJPZ-UHFFFAOYSA-N 0 0 320.330 3.108 20 10 DGCDRN CN1CCCN(C(=O)/C=C/c2cccnc2)c2ccc(F)cc21 ZINC000737621607 574853945 /nfs/dbraw/zinc/85/39/45/574853945.db2.gz DCLJTKNJUSFHPG-VMPITWQZSA-N 0 0 311.360 3.107 20 10 DGCDRN CCc1ocnc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000739712709 574911226 /nfs/dbraw/zinc/91/12/26/574911226.db2.gz OVCCGGZQCRWLCQ-UHFFFAOYSA-N 0 0 313.401 3.157 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1 ZINC000739922387 574915953 /nfs/dbraw/zinc/91/59/53/574915953.db2.gz JVPDAMGUVLCIAC-IIDMSEBBSA-N 0 0 318.461 3.462 20 10 DGCDRN CCOc1ccc(N(C)Cc2nccn2CC(F)(F)F)cc1 ZINC000739927384 574916254 /nfs/dbraw/zinc/91/62/54/574916254.db2.gz XAEREVPJXZMIKR-UHFFFAOYSA-N 0 0 313.323 3.481 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCC1(O)CCC1 ZINC000740725053 574940818 /nfs/dbraw/zinc/94/08/18/574940818.db2.gz YZIQEDJCHCEXTC-UHFFFAOYSA-N 0 0 312.413 3.047 20 10 DGCDRN CCN(CC)c1ccc(CNc2cc(-n3ccnc3)ncn2)cc1 ZINC000740866290 574944070 /nfs/dbraw/zinc/94/40/70/574944070.db2.gz NDPXIKBAKGBRSY-UHFFFAOYSA-N 0 0 322.416 3.121 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C)C[C@H]2C)cc1 ZINC000740906963 574945595 /nfs/dbraw/zinc/94/55/95/574945595.db2.gz KGGFSQGUGVYODQ-LSDHHAIUSA-N 0 0 303.450 3.473 20 10 DGCDRN Cc1cc(C(=O)Cn2ccsc2=O)c(C)n1-c1ccccc1 ZINC000741447173 574958127 /nfs/dbraw/zinc/95/81/27/574958127.db2.gz IEFJAUMQEXIPOF-UHFFFAOYSA-N 0 0 312.394 3.200 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)c1ccco1 ZINC000741678740 574966377 /nfs/dbraw/zinc/96/63/77/574966377.db2.gz XHEQFYNVPUDXDY-CQSZACIVSA-N 0 0 300.402 3.498 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cc(C(C)(C)C)on2)cc1F ZINC000741914704 574976076 /nfs/dbraw/zinc/97/60/76/574976076.db2.gz JSZZMVRYEDZMFN-UHFFFAOYSA-N 0 0 319.380 3.107 20 10 DGCDRN Cn1cc(C(C)(C)[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC000742374392 574993275 /nfs/dbraw/zinc/99/32/75/574993275.db2.gz WJMVTKCWEICVJK-UHFFFAOYSA-N 0 0 314.216 3.457 20 10 DGCDRN CCCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cc(F)ccc1O ZINC000742443755 575000481 /nfs/dbraw/zinc/00/04/81/575000481.db2.gz OHTORMXTZUYVML-INIZCTEOSA-N 0 0 320.408 3.465 20 10 DGCDRN Cc1cnc(NCc2ccc3c(c2)CCCN3C)c([N+](=O)[O-])c1 ZINC000742429937 574999860 /nfs/dbraw/zinc/99/98/60/574999860.db2.gz NQRQSCUYKMLSKY-UHFFFAOYSA-N 0 0 312.373 3.293 20 10 DGCDRN Cc1cccc(C(=O)NCc2ccc(N3CCCCC3)cc2)n1 ZINC000742476202 575002215 /nfs/dbraw/zinc/00/22/15/575002215.db2.gz NKSMYEHXGNRBQU-UHFFFAOYSA-N 0 0 309.413 3.310 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCSC2)cc1 ZINC000742778648 575018681 /nfs/dbraw/zinc/01/86/81/575018681.db2.gz RAEGRBSKPIHENL-HNNXBMFYSA-N 0 0 300.427 3.329 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C\c1cccs1 ZINC000742951940 575025797 /nfs/dbraw/zinc/02/57/97/575025797.db2.gz BRCABKQYQHQHOK-VURMDHGXSA-N 0 0 314.410 3.253 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cc(CC)on1 ZINC000743181237 575037977 /nfs/dbraw/zinc/03/79/77/575037977.db2.gz KICJVJLDEPSOKV-UHFFFAOYSA-N 0 0 303.362 3.387 20 10 DGCDRN CCc1csc(NC(=O)NCc2ccc(N(C)C)c(F)c2)n1 ZINC000743224180 575039380 /nfs/dbraw/zinc/03/93/80/575039380.db2.gz CCKMRYDHRLWPIH-UHFFFAOYSA-N 0 0 322.409 3.232 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cccc(-c2cnn(C)c2)c1 ZINC000743311406 575042899 /nfs/dbraw/zinc/04/28/99/575042899.db2.gz HFMWZUBNERROIY-UHFFFAOYSA-N 0 0 321.380 3.065 20 10 DGCDRN Cc1ocnc1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000743430995 575050927 /nfs/dbraw/zinc/05/09/27/575050927.db2.gz OJWQSPREEPGISM-UHFFFAOYSA-N 0 0 312.325 3.124 20 10 DGCDRN O=C(N[C@@H](c1ccccc1)C(F)(F)F)C1=CC(=O)CS1 ZINC000743474258 575053757 /nfs/dbraw/zinc/05/37/57/575053757.db2.gz JOHQRFOKCCSOCG-NSHDSACASA-N 0 0 301.289 3.487 20 10 DGCDRN CC1(C)C[C@H]1CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743608368 575058407 /nfs/dbraw/zinc/05/84/07/575058407.db2.gz ZZXXAFPHHQTHJF-ZDUSSCGKSA-N 0 0 302.418 3.116 20 10 DGCDRN CO[C@@H](CNC(=O)C1=CC(=O)CS1)c1ccc(Cl)cc1 ZINC000743678561 575060492 /nfs/dbraw/zinc/06/04/92/575060492.db2.gz LZIISGLEGDDGSK-LBPRGKRZSA-N 0 0 311.790 3.225 20 10 DGCDRN C[C@H](CNC(=O)C1=CC(=O)CS1)Oc1cccc(Cl)c1 ZINC000743718342 575062110 /nfs/dbraw/zinc/06/21/10/575062110.db2.gz MPFVMMCJRDYUDN-SECBINFHSA-N 0 0 311.790 3.304 20 10 DGCDRN CO[C@@H](CNC(=O)C1=CC(=O)CS1)c1cccc(Cl)c1 ZINC000743756713 575062865 /nfs/dbraw/zinc/06/28/65/575062865.db2.gz JYHRCWGDKKYJIO-LBPRGKRZSA-N 0 0 311.790 3.225 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc3ccccc3n2C)c1 ZINC000728983090 575199086 /nfs/dbraw/zinc/19/90/86/575199086.db2.gz UKMSQKPQNOLKNJ-GFCCVEGCSA-N 0 0 324.380 3.384 20 10 DGCDRN CCc1nc(C)c(C(=O)N[C@@H](C)c2cc(OC)ccc2O)s1 ZINC000728983431 575199361 /nfs/dbraw/zinc/19/93/61/575199361.db2.gz ZTGZDEJFVQWGMQ-VIFPVBQESA-N 0 0 320.414 3.219 20 10 DGCDRN COCc1cccc(C(=O)N[C@H](C)c2cc(OC)ccc2O)c1 ZINC000728983587 575199384 /nfs/dbraw/zinc/19/93/84/575199384.db2.gz BPFMKYJVTNARBF-GFCCVEGCSA-N 0 0 315.369 3.038 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)OCCC(C)C)c1 ZINC000728981832 575199414 /nfs/dbraw/zinc/19/94/14/575199414.db2.gz FLWWOTSJYGFYBE-STQMWFEESA-N 0 0 309.406 3.029 20 10 DGCDRN COc1cccc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)c1 ZINC000728938968 575196413 /nfs/dbraw/zinc/19/64/13/575196413.db2.gz SPMNATGZGCJYHL-LLVKDONJSA-N 0 0 316.357 3.292 20 10 DGCDRN COCc1ccccc1C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000729277895 575231576 /nfs/dbraw/zinc/23/15/76/575231576.db2.gz ISHKNCMWRBSMGL-LBPRGKRZSA-N 0 0 315.369 3.038 20 10 DGCDRN COc1ccc(N(CC(=O)N[C@H](C)C(C)C)CC(C)C)cc1 ZINC000729475661 575250868 /nfs/dbraw/zinc/25/08/68/575250868.db2.gz UYABKQIOILKQBA-OAHLLOKOSA-N 0 0 306.450 3.318 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCc2cc(F)ccc2F)cc1 ZINC000729494954 575253039 /nfs/dbraw/zinc/25/30/39/575253039.db2.gz IBZYPDXPBMEHIB-UHFFFAOYSA-N 0 0 319.355 3.030 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2c(O)cccc2Cl)c1 ZINC000729535539 575254858 /nfs/dbraw/zinc/25/48/58/575254858.db2.gz SXQMQYIWXTZAEK-SECBINFHSA-N 0 0 321.760 3.251 20 10 DGCDRN CCOc1ccc(OC)cc1NC(=O)NCc1ccccc1O ZINC000729575419 575255948 /nfs/dbraw/zinc/25/59/48/575255948.db2.gz LJTLFFXFIJNFGR-UHFFFAOYSA-N 0 0 316.357 3.121 20 10 DGCDRN COc1ccc(NC(=S)NCc2ncccc2C)cc1F ZINC000729645047 575258640 /nfs/dbraw/zinc/25/86/40/575258640.db2.gz INLMWXYYNBYPGL-UHFFFAOYSA-N 0 0 305.378 3.024 20 10 DGCDRN O=C(/C=C\c1cncc(F)c1)N1CCc2cccc(Cl)c21 ZINC000729652051 575259655 /nfs/dbraw/zinc/25/96/55/575259655.db2.gz LVVSLDKYBJWYGH-PLNGDYQASA-N 0 0 302.736 3.477 20 10 DGCDRN CCOc1ccc(N(CC)CC(=O)NCc2ccccc2)cc1 ZINC000746159265 575436974 /nfs/dbraw/zinc/43/69/74/575436974.db2.gz RFKYMDCXBBJNOQ-UHFFFAOYSA-N 0 0 312.413 3.228 20 10 DGCDRN COc1cccc(F)c1C(=O)NCc1ccc(N(C)C)cc1C ZINC000746273294 575442747 /nfs/dbraw/zinc/44/27/47/575442747.db2.gz WNTFYONZFNAMRU-UHFFFAOYSA-N 0 0 316.376 3.139 20 10 DGCDRN CC(C)OCc1ccccc1CNC(=O)Cc1ccc(N)cc1 ZINC000746411296 575452119 /nfs/dbraw/zinc/45/21/19/575452119.db2.gz YBRHDRAKYLQWKZ-UHFFFAOYSA-N 0 0 312.413 3.053 20 10 DGCDRN c1csc(SCCCNc2ccnc3ccncc32)n1 ZINC000746461131 575454114 /nfs/dbraw/zinc/45/41/14/575454114.db2.gz SEAXBONXXZKZDV-UHFFFAOYSA-N 0 0 302.428 3.103 20 10 DGCDRN COC(=O)/C=C/c1ccc(N(C)CCC2CC2)c([N+](=O)[O-])c1 ZINC000746715589 575471913 /nfs/dbraw/zinc/47/19/13/575471913.db2.gz CSWCTBSFTUXQLF-SOFGYWHQSA-N 0 0 304.346 3.017 20 10 DGCDRN C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C(C)(C)C1 ZINC000746755395 575473743 /nfs/dbraw/zinc/47/37/43/575473743.db2.gz PRQWBUAZMWTNSO-LBPRGKRZSA-N 0 0 307.413 3.222 20 10 DGCDRN CN1CCCc2cc(CNC(=O)/C=C\c3ccccc3)ccc21 ZINC000746809281 575475906 /nfs/dbraw/zinc/47/59/06/575475906.db2.gz RQSSRFLUUBAQAA-BENRWUELSA-N 0 0 306.409 3.399 20 10 DGCDRN CCN(C)c1ccc(Cn2cccc(C(F)(F)F)c2=O)cc1 ZINC000747808289 575542628 /nfs/dbraw/zinc/54/26/28/575542628.db2.gz CHEJGIIEWMCACV-UHFFFAOYSA-N 0 0 310.319 3.372 20 10 DGCDRN Oc1ccccc1CNC(=S)NCCSc1ccccc1 ZINC000748156046 575565180 /nfs/dbraw/zinc/56/51/80/575565180.db2.gz CTWDJKKVFUBBSC-UHFFFAOYSA-N 0 0 318.467 3.149 20 10 DGCDRN Cc1cc(O[C@@H](C)C(=O)NCc2ccccc2O)ccc1Cl ZINC000748344867 575581227 /nfs/dbraw/zinc/58/12/27/575581227.db2.gz DPLVVNIAIPLTLD-LBPRGKRZSA-N 0 0 319.788 3.438 20 10 DGCDRN Cc1oc(-c2cccs2)nc1C(=O)NCc1ccccc1O ZINC000748346011 575581481 /nfs/dbraw/zinc/58/14/81/575581481.db2.gz UKXOMHJHLDNIDN-UHFFFAOYSA-N 0 0 314.366 3.347 20 10 DGCDRN Cc1ccc(-c2nc(C(=O)NCc3ccccc3O)cs2)o1 ZINC000748346500 575581696 /nfs/dbraw/zinc/58/16/96/575581696.db2.gz YZYXCDDZXHASOF-UHFFFAOYSA-N 0 0 314.366 3.347 20 10 DGCDRN CC(C)(Oc1ccc(F)cc1)C(=O)NCc1ccccc1O ZINC000748353176 575582311 /nfs/dbraw/zinc/58/23/11/575582311.db2.gz NBWSHEGNHFLHLS-UHFFFAOYSA-N 0 0 303.333 3.005 20 10 DGCDRN CCOc1ccc(SCC(=O)NCc2ccccc2O)cc1 ZINC000748352558 575582605 /nfs/dbraw/zinc/58/26/05/575582605.db2.gz DQGYXNNFGOYCNB-UHFFFAOYSA-N 0 0 317.410 3.199 20 10 DGCDRN Cc1cc(Cl)ccc1OCC(=O)NCc1ccccc1O ZINC000748354057 575583089 /nfs/dbraw/zinc/58/30/89/575583089.db2.gz VZRCCAYTZKZYDB-UHFFFAOYSA-N 0 0 305.761 3.049 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1cc2c(cc1Cl)OCO2 ZINC000748442357 575587149 /nfs/dbraw/zinc/58/71/49/575587149.db2.gz JAHJFMYWQXNIEP-UHFFFAOYSA-N 0 0 320.732 3.096 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@H](c1ccccc1)C(F)(F)F ZINC000748458666 575588076 /nfs/dbraw/zinc/58/80/76/575588076.db2.gz AHZXKRQQUBSJJD-CQSZACIVSA-N 0 0 324.302 3.495 20 10 DGCDRN C[C@H]1C[C@@H]1c1ccc(CNC(=O)NCc2ccccc2O)o1 ZINC000748458799 575588132 /nfs/dbraw/zinc/58/81/32/575588132.db2.gz CLBLTRFJORUFKX-FZMZJTMJSA-N 0 0 300.358 3.108 20 10 DGCDRN COc1ccc([C@@H](C)NC(=O)NCc2ccccc2O)cc1F ZINC000748462187 575588528 /nfs/dbraw/zinc/58/85/28/575588528.db2.gz ARPLFCQDEAFCJC-LLVKDONJSA-N 0 0 318.348 3.100 20 10 DGCDRN Cc1cc(C(=O)N(C)c2c(C)noc2C)c(C)n1-c1ccccn1 ZINC000748552960 575593414 /nfs/dbraw/zinc/59/34/14/575593414.db2.gz XCUIBGYPPYHTMA-UHFFFAOYSA-N 0 0 324.384 3.371 20 10 DGCDRN COCCONC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000748774574 575605443 /nfs/dbraw/zinc/60/54/43/575605443.db2.gz STPYXBABEUMQNJ-UHFFFAOYSA-N 0 0 322.792 3.055 20 10 DGCDRN CC(C)Oc1ccccc1CC(=O)N(C)Cc1ccccc1O ZINC000748841864 575610708 /nfs/dbraw/zinc/61/07/08/575610708.db2.gz ZDFSFEVAFPBEJP-UHFFFAOYSA-N 0 0 313.397 3.381 20 10 DGCDRN COc1cccc(CNC(=O)c2cnc3ccccc3c2C)c1O ZINC000748848447 575611378 /nfs/dbraw/zinc/61/13/78/575611378.db2.gz JJNWJABOQHKSCX-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN CCCCCn1nc(C)cc1NC(=O)NCc1ccccc1O ZINC000748953306 575616746 /nfs/dbraw/zinc/61/67/46/575616746.db2.gz CIMSNHAIWSFXPU-UHFFFAOYSA-N 0 0 316.405 3.409 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCCSC2)cc1 ZINC000748961401 575618576 /nfs/dbraw/zinc/61/85/76/575618576.db2.gz SCWXZJPZORNJDX-HNNXBMFYSA-N 0 0 321.490 3.228 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2CCC(C)(C)C[C@H]2C)c1 ZINC000748972333 575619187 /nfs/dbraw/zinc/61/91/87/575619187.db2.gz PUZVEYROGVOSFL-IUODEOHRSA-N 0 0 320.433 3.415 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCn1ccnc1 ZINC000749569939 575664917 /nfs/dbraw/zinc/66/49/17/575664917.db2.gz AOEGTTMXYHSRRC-UHFFFAOYSA-N 0 0 322.412 3.029 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1cc[nH]n1 ZINC000749577753 575666201 /nfs/dbraw/zinc/66/62/01/575666201.db2.gz XFWZOMUMUKJPLN-UHFFFAOYSA-N 0 0 308.385 3.056 20 10 DGCDRN CC(C)CN1CC(=O)N[C@H]1c1cc(-c2ccccc2)ccc1O ZINC000749698898 575673169 /nfs/dbraw/zinc/67/31/69/575673169.db2.gz BCXUKZHHSRQQLR-LJQANCHMSA-N 0 0 310.397 3.146 20 10 DGCDRN CC[C@H](C)NC(=S)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000749760682 575676034 /nfs/dbraw/zinc/67/60/34/575676034.db2.gz WYCWHWWUHFYEPH-DZGCQCFKSA-N 0 0 322.474 3.046 20 10 DGCDRN Cc1cc(C(F)(F)F)c(NCc2ccc(N(C)C)cc2)nn1 ZINC000750456059 575727208 /nfs/dbraw/zinc/72/72/08/575727208.db2.gz FGXPKDRTSDPZCY-UHFFFAOYSA-N 0 0 310.323 3.482 20 10 DGCDRN CC[C@H](C)c1ccc(S(=O)(=O)NCc2ccccc2O)cc1 ZINC000751150501 575771926 /nfs/dbraw/zinc/77/19/26/575771926.db2.gz GPNTWYQQKVVUEC-ZDUSSCGKSA-N 0 0 319.426 3.384 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)C(C)=C(C)C)CC2)cc1 ZINC000751193038 575774820 /nfs/dbraw/zinc/77/48/20/575774820.db2.gz ULKJHWAXPULXMQ-UHFFFAOYSA-N 0 0 302.418 3.090 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1ccncc1 ZINC000751298664 575778916 /nfs/dbraw/zinc/77/89/16/575778916.db2.gz DJZRKLXQBRWLJJ-UHFFFAOYSA-N 0 0 315.336 3.044 20 10 DGCDRN Cc1ccc(C(=O)NCC(C)(C)c2cccc(F)c2)c(O)c1O ZINC000751538455 575789969 /nfs/dbraw/zinc/78/99/69/575789969.db2.gz OYCMCIOWLUIAQJ-UHFFFAOYSA-N 0 0 317.360 3.253 20 10 DGCDRN CC(C)C[C@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000752214826 575826528 /nfs/dbraw/zinc/82/65/28/575826528.db2.gz ZCQFAXLUVCEBOC-AWEZNQCLSA-N 0 0 303.450 3.303 20 10 DGCDRN C[C@@H](NCc1ccccc1O)c1noc(Cc2ccccc2)n1 ZINC000752265579 575829943 /nfs/dbraw/zinc/82/99/43/575829943.db2.gz JZHZZKAEFSZEPQ-CYBMUJFWSA-N 0 0 309.369 3.217 20 10 DGCDRN Cc1ncc(/C=C\C(=O)N(CC[NH+](C)C)c2ccccc2)s1 ZINC000255207207 575839554 /nfs/dbraw/zinc/83/95/54/575839554.db2.gz MSFDLGKZMZRIHR-KTKRTIGZSA-N 0 0 315.442 3.060 20 10 DGCDRN O=C(Cc1ccccc1O)NCc1ccc(N2CCCCC2)cc1 ZINC000725891645 575953338 /nfs/dbraw/zinc/95/33/38/575953338.db2.gz IVVWUCVPOWGPNS-UHFFFAOYSA-N 0 0 324.424 3.241 20 10 DGCDRN CN1CCCc2cc(CNC(=O)NC[C@@H]3CC=CCC3)ccc21 ZINC000726244539 576014398 /nfs/dbraw/zinc/01/43/98/576014398.db2.gz INPXRCTVKLURFC-OAHLLOKOSA-N 0 0 313.445 3.225 20 10 DGCDRN CN1CCCc2cc(CNC(=O)NC[C@H]3CC=CCC3)ccc21 ZINC000726244536 576014620 /nfs/dbraw/zinc/01/46/20/576014620.db2.gz INPXRCTVKLURFC-HNNXBMFYSA-N 0 0 313.445 3.225 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)[C@H]3CC=CCC3)CC2)cc1 ZINC000726560830 576030837 /nfs/dbraw/zinc/03/08/37/576030837.db2.gz REOLOEACACGCGG-HNNXBMFYSA-N 0 0 314.429 3.137 20 10 DGCDRN CO[C@H](C)CCNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000726547373 576031233 /nfs/dbraw/zinc/03/12/33/576031233.db2.gz FEHYTLUJQKQSII-OAHLLOKOSA-N 0 0 300.402 3.249 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)NCCC(C)C)CC2)cc1 ZINC000726700664 576037079 /nfs/dbraw/zinc/03/70/79/576037079.db2.gz HRWZCMYIBPCORP-UHFFFAOYSA-N 0 0 319.449 3.009 20 10 DGCDRN CCC(C)(C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000726753996 576039285 /nfs/dbraw/zinc/03/92/85/576039285.db2.gz LPAYYKIPQJQPDY-AWEZNQCLSA-N 0 0 304.434 3.137 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1cn(-c2ccccc2)nn1 ZINC000726788763 576042317 /nfs/dbraw/zinc/04/23/17/576042317.db2.gz ICFOULCPHZJKJP-UHFFFAOYSA-N 0 0 320.396 3.229 20 10 DGCDRN O=C1NC(=S)S/C1=C/c1nc(-c2ccccc2)cs1 ZINC000726876648 576046642 /nfs/dbraw/zinc/04/66/42/576046642.db2.gz ZJGKWBKWUJSTSM-UXBLZVDNSA-N 0 0 304.421 3.299 20 10 DGCDRN Cc1ccc(N(C)C(=O)c2cn(C)nc2-c2cccnc2)c(C)c1 ZINC000728083617 576161742 /nfs/dbraw/zinc/16/17/42/576161742.db2.gz IKRUOHXPIGBAIH-UHFFFAOYSA-N 0 0 320.396 3.376 20 10 DGCDRN CCOc1ccc(N(C)C[C@@H](O)COc2ccccc2F)cc1 ZINC000740423124 576166098 /nfs/dbraw/zinc/16/60/98/576166098.db2.gz BWNKGBHWKCYHPD-OAHLLOKOSA-N 0 0 319.376 3.101 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N3CCC[C@H]3C3CC3)ccc21 ZINC000728748727 576198556 /nfs/dbraw/zinc/19/85/56/576198556.db2.gz ZBVONAWYEJFRNQ-SFHVURJKSA-N 0 0 313.445 3.153 20 10 DGCDRN CN1CCCc2cc(CNC(=O)NC3(C)CCCC3)ccc21 ZINC000728746762 576198675 /nfs/dbraw/zinc/19/86/75/576198675.db2.gz DKBFHVBYOJXMSL-UHFFFAOYSA-N 0 0 301.434 3.201 20 10 DGCDRN O=C(COC(=O)c1cccc2ccccc21)c1ccc(O)c(O)c1 ZINC000916589923 620637402 /nfs/dbraw/zinc/63/74/02/620637402.db2.gz IOIGWINHYTYEIV-UHFFFAOYSA-N 0 0 322.316 3.291 20 10 DGCDRN CCN(C)c1ccc(CN[C@](C)(COC)C(F)(F)F)cc1 ZINC000852719264 620642480 /nfs/dbraw/zinc/64/24/80/620642480.db2.gz XYWPYSPSJMQPDN-CQSZACIVSA-N 0 0 304.356 3.200 20 10 DGCDRN CC(C)(CNC(=O)NCc1ccccc1O)CC(F)(F)F ZINC000852724730 620643090 /nfs/dbraw/zinc/64/30/90/620643090.db2.gz KTKYXCHZNSJKGB-UHFFFAOYSA-N 0 0 304.312 3.170 20 10 DGCDRN Cc1ccc(/C=C2/SC(=S)N(c3cccnc3)C2=O)cn1 ZINC000154249959 620652896 /nfs/dbraw/zinc/65/28/96/620652896.db2.gz WEQKFNYACTWLBT-NTUHNPAUSA-N 0 0 313.407 3.191 20 10 DGCDRN COc1ccc2c(c1)CCCN2CC(=O)N(CC(C)C)C1CC1 ZINC000917078088 620655633 /nfs/dbraw/zinc/65/56/33/620655633.db2.gz ZNCKZIOCGWXAGL-UHFFFAOYSA-N 0 0 316.445 3.095 20 10 DGCDRN COc1ncccc1NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000917208479 620659807 /nfs/dbraw/zinc/65/98/07/620659807.db2.gz CGANCWMOICIQAX-UHFFFAOYSA-N 0 0 322.368 3.145 20 10 DGCDRN CN(C)c1ccc(CN(C)c2ncnc3ccc(F)cc32)cc1 ZINC000917387733 620667372 /nfs/dbraw/zinc/66/73/72/620667372.db2.gz JQDXRLBUGUJYHU-UHFFFAOYSA-N 0 0 310.376 3.471 20 10 DGCDRN Cc1cc(CC(=O)OCc2cncn2C)c(C)n1-c1ccccc1 ZINC000853108940 620669809 /nfs/dbraw/zinc/66/98/09/620669809.db2.gz KBKYXXXDWNAECU-UHFFFAOYSA-N 0 0 323.396 3.114 20 10 DGCDRN CCOC(=O)c1cnc(NCc2ccc(N(C)C)c(F)c2)s1 ZINC000853241264 620681317 /nfs/dbraw/zinc/68/13/17/620681317.db2.gz QHRDHZIDXKENBF-UHFFFAOYSA-N 0 0 323.393 3.137 20 10 DGCDRN CC1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(N(C)C)cc1 ZINC000853244627 620681892 /nfs/dbraw/zinc/68/18/92/620681892.db2.gz PJPFAJQQXFCJPT-FUCXHRTASA-N 0 0 301.434 3.225 20 10 DGCDRN CN(Cc1nccn1Cc1ccccc1)Cc1ccccc1O ZINC000111236420 620685391 /nfs/dbraw/zinc/68/53/91/620685391.db2.gz FITQZELDWANLCP-UHFFFAOYSA-N 0 0 307.397 3.269 20 10 DGCDRN CSCC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C ZINC000917953990 620688779 /nfs/dbraw/zinc/68/87/79/620688779.db2.gz ARQZNCSLIPUICD-UHFFFAOYSA-N 0 0 317.410 3.411 20 10 DGCDRN CC1(C)C[C@]1(C)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000853412125 620693590 /nfs/dbraw/zinc/69/35/90/620693590.db2.gz UFRCHNTUNGWIGH-SFHVURJKSA-N 0 0 301.434 3.275 20 10 DGCDRN CCN(CC)c1ccc(CNc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000393478454 608870735 /nfs/dbraw/zinc/87/07/35/608870735.db2.gz ISBKRBSYPQPMFO-UHFFFAOYSA-N 0 0 322.416 3.325 20 10 DGCDRN C[C@@H](Cc1ccsc1)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000918542457 620714196 /nfs/dbraw/zinc/71/41/96/620714196.db2.gz YDMCTOKRRNEBAO-ZDUSSCGKSA-N 0 0 317.458 3.245 20 10 DGCDRN COc1ccc(N2CC[C@H](Nc3ncnc4ccccc43)C2)cc1 ZINC000853758576 620734487 /nfs/dbraw/zinc/73/44/87/620734487.db2.gz HSHFGWKBPJXWHM-AWEZNQCLSA-N 0 0 320.396 3.329 20 10 DGCDRN Cn1nc(C(C)(C)C)cc1C(=O)NCc1cccc(Cl)c1O ZINC000890758222 617655840 /nfs/dbraw/zinc/65/58/40/617655840.db2.gz SHDLKIXQGTYSHX-UHFFFAOYSA-N 0 0 321.808 3.007 20 10 DGCDRN Cc1nc(C(C)C)oc1C(=O)NCc1cccc(Cl)c1O ZINC000890759268 617656322 /nfs/dbraw/zinc/65/63/22/617656322.db2.gz JBPRYTSFCVIXSM-UHFFFAOYSA-N 0 0 308.765 3.395 20 10 DGCDRN CCC[C@H]1C[C@H](C(=O)NCc2cccc(Cl)c2O)CCO1 ZINC000890759722 617656488 /nfs/dbraw/zinc/65/64/88/617656488.db2.gz PFEITYYMZVZFEO-YPMHNXCESA-N 0 0 311.809 3.257 20 10 DGCDRN CCCc1ncc(C(=O)NCc2cccc(Cl)c2O)s1 ZINC000890760361 617656963 /nfs/dbraw/zinc/65/69/63/617656963.db2.gz PLAGYKPXVIAJDK-UHFFFAOYSA-N 0 0 310.806 3.385 20 10 DGCDRN CCCC1(C(=O)NCc2cc(Br)ccc2O)CC1 ZINC000804734456 617661834 /nfs/dbraw/zinc/66/18/34/617661834.db2.gz LUWALIJYRQVQQV-UHFFFAOYSA-N 0 0 312.207 3.351 20 10 DGCDRN CC[C@H](C)[C@@H](C)C(=O)NCc1cc(Br)ccc1O ZINC000804739789 617662519 /nfs/dbraw/zinc/66/25/19/617662519.db2.gz SYSCKNROXHQTHF-VHSXEESVSA-N 0 0 314.223 3.453 20 10 DGCDRN O=C(Nc1csc(-c2ccccc2)n1)c1cccc(O)c1O ZINC000804823188 617677627 /nfs/dbraw/zinc/67/76/27/617677627.db2.gz QNJJVJANMLGHKE-UHFFFAOYSA-N 0 0 312.350 3.474 20 10 DGCDRN Cc1cnc(NCc2cc(Br)ccc2O)nc1C ZINC000804826841 617679498 /nfs/dbraw/zinc/67/94/98/617679498.db2.gz HJDNGBPRYISESO-UHFFFAOYSA-N 0 0 308.179 3.174 20 10 DGCDRN Oc1ccc(Br)cc1CNc1ncncc1Cl ZINC000804828722 617680847 /nfs/dbraw/zinc/68/08/47/617680847.db2.gz XRQVJPIRIAYPRA-UHFFFAOYSA-N 0 0 314.570 3.210 20 10 DGCDRN C[C@H](NC(=O)NCC1C[C@H]2CC[C@@H](C1)S2)c1ccccc1O ZINC000924325213 617691670 /nfs/dbraw/zinc/69/16/70/617691670.db2.gz FWTYSICCATXIFS-FUDCBSFHSA-N 0 0 320.458 3.427 20 10 DGCDRN C[C@@H](NC(=O)NCC1C[C@H]2CC[C@@H](C1)S2)c1ccccc1O ZINC000924325218 617691839 /nfs/dbraw/zinc/69/18/39/617691839.db2.gz FWTYSICCATXIFS-RLAWYHOSSA-N 0 0 320.458 3.427 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1(C2CC2)CC1 ZINC000891686809 617868557 /nfs/dbraw/zinc/86/85/57/617868557.db2.gz NGBYFLPIGYZZMW-AWEZNQCLSA-N 0 0 300.446 3.298 20 10 DGCDRN Cc1cc(C(=O)NCc2ccoc2C)c(C)n1-c1ccccn1 ZINC000919760702 620764612 /nfs/dbraw/zinc/76/46/12/620764612.db2.gz QHMYFEUXAIJFIP-UHFFFAOYSA-N 0 0 309.369 3.321 20 10 DGCDRN COCc1nccc(NCc2ccc(N3CCCCC3)cc2)n1 ZINC000892079009 617957662 /nfs/dbraw/zinc/95/76/62/617957662.db2.gz VZYZBLSCTFYSHS-UHFFFAOYSA-N 0 0 312.417 3.225 20 10 DGCDRN CO[C@@](C)([C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000840859948 618027270 /nfs/dbraw/zinc/02/72/70/618027270.db2.gz QKKRFYJZESWWOB-USBNGQNGSA-N 0 0 308.378 3.155 20 10 DGCDRN CCOCc1nc(C)cc(N[C@H](C)c2cc(OC)ccc2O)n1 ZINC000892331085 618028819 /nfs/dbraw/zinc/02/88/19/618028819.db2.gz RPQLXSOGVUEQSN-GFCCVEGCSA-N 0 0 317.389 3.209 20 10 DGCDRN C[C@@H]1CCC[C@H](CNC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000919896657 620770955 /nfs/dbraw/zinc/77/09/55/620770955.db2.gz HODOCISTJIETSR-ZBFHGGJFSA-N 0 0 303.450 3.378 20 10 DGCDRN COCC1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000840876662 618053456 /nfs/dbraw/zinc/05/34/56/618053456.db2.gz RSDBRHGCJSNKQN-HIFPTAJRSA-N 0 0 308.378 3.156 20 10 DGCDRN CCN(CC)c1ccc(CNc2ccnc(COC)n2)cc1F ZINC000892431378 618064552 /nfs/dbraw/zinc/06/45/52/618064552.db2.gz PPGKFFCWCCFSLJ-UHFFFAOYSA-N 0 0 318.396 3.220 20 10 DGCDRN CC[C@H](C)[C@H](C)NC(=O)NCCCSc1nccs1 ZINC000152774705 618084308 /nfs/dbraw/zinc/08/43/08/618084308.db2.gz PJDKZUXFOTYZKE-QWRGUYRKSA-N 0 0 301.481 3.359 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)Cc2ccccc2)c1 ZINC000112115275 620791242 /nfs/dbraw/zinc/79/12/42/620791242.db2.gz VQOPVUWWIQNAGJ-UONOGXRCSA-N 0 0 313.397 3.457 20 10 DGCDRN CC1(C)CCc2cc(C=C3SC(=S)NC3=O)ccc2O1 ZINC000920241229 620792887 /nfs/dbraw/zinc/79/28/87/620792887.db2.gz OQBOSTPHXHJNQS-WQLSENKSSA-N 0 0 305.424 3.279 20 10 DGCDRN COc1cc(C)cc(CNc2ccc3c(c2)N(C)CCO3)c1O ZINC000894404211 618311378 /nfs/dbraw/zinc/31/13/78/618311378.db2.gz VEFAZPDKLSXGOD-UHFFFAOYSA-N 0 0 314.385 3.150 20 10 DGCDRN COc1cc(C)cc(CNc2ccn(CC(F)(F)F)n2)c1O ZINC000894412486 618317006 /nfs/dbraw/zinc/31/70/06/618317006.db2.gz NRSHYCUWIDIFQM-UHFFFAOYSA-N 0 0 315.295 3.080 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2CCCCO2)cc1 ZINC000920349608 620795362 /nfs/dbraw/zinc/79/53/62/620795362.db2.gz SOKBYHHQDYZRNC-SFHVURJKSA-N 0 0 312.413 3.393 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](OC)C1CCC1 ZINC000854374102 620798841 /nfs/dbraw/zinc/79/88/41/620798841.db2.gz PJWFIRSBENYHQU-QGZVFWFLSA-N 0 0 305.418 3.336 20 10 DGCDRN COC(=O)/C=C/c1ccc(N2CCC[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000920487298 620804094 /nfs/dbraw/zinc/80/40/94/620804094.db2.gz SRYSAIDONYYDBY-KGXGESDWSA-N 0 0 318.373 3.406 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000893135625 618440472 /nfs/dbraw/zinc/44/04/72/618440472.db2.gz OGOPOAXLHZMZFK-CGTJXYLNSA-N 0 0 311.429 3.051 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000894779606 618454842 /nfs/dbraw/zinc/45/48/42/618454842.db2.gz JOMOWKGADABWTD-QWHCGFSZSA-N 0 0 311.372 3.309 20 10 DGCDRN COc1cc(C)cc(CN2CCC(=O)Nc3ccccc32)c1O ZINC000894786590 618458231 /nfs/dbraw/zinc/45/82/31/618458231.db2.gz KYJNOTJQPWBMJI-UHFFFAOYSA-N 0 0 312.369 3.058 20 10 DGCDRN C[C@@H]1[C@H](C)N(Cc2cc(Cl)cc(Cl)c2[O-])CC[N@H+]1C ZINC000775985869 618520186 /nfs/dbraw/zinc/52/01/86/618520186.db2.gz PJMCRFVZSWVEIK-ZJUUUORDSA-N 0 0 303.233 3.223 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H](C)OCC2CC2)cc1 ZINC000920773246 620822264 /nfs/dbraw/zinc/82/22/64/620822264.db2.gz LNQHIBJBPWUYOK-HNNXBMFYSA-N 0 0 318.461 3.306 20 10 DGCDRN C[C@@H](OCC1CC1)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000920772076 620822369 /nfs/dbraw/zinc/82/23/69/620822369.db2.gz MSDBZGBGVKVQDH-CQSZACIVSA-N 0 0 316.445 3.059 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Cc2cn(C)c3ccccc23)cc1 ZINC000920758182 620821058 /nfs/dbraw/zinc/82/10/58/620821058.db2.gz DZKXHMPHRMNPGB-UHFFFAOYSA-N 0 0 321.424 3.103 20 10 DGCDRN COc1cccc(NCc2ccc(OC)c(OC)c2O)c1F ZINC000893653716 618632632 /nfs/dbraw/zinc/63/26/32/618632632.db2.gz FTXCJYNXBNDNEE-UHFFFAOYSA-N 0 0 307.321 3.169 20 10 DGCDRN CO[C@](C)([C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC000840961309 618639179 /nfs/dbraw/zinc/63/91/79/618639179.db2.gz VBLOALCKTZHCMD-BJOHPYRUSA-N 0 0 301.789 3.478 20 10 DGCDRN CO[C@](C)([C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC000840961315 618639398 /nfs/dbraw/zinc/63/93/98/618639398.db2.gz VBLOALCKTZHCMD-RFAUZJTJSA-N 0 0 301.789 3.478 20 10 DGCDRN CC[C@H](C)n1ncc(NCc2ccc(OC)c(OC)c2O)c1C ZINC000893997647 618689392 /nfs/dbraw/zinc/68/93/92/618689392.db2.gz QCMAXFPRXXPVEQ-NSHDSACASA-N 0 0 319.405 3.497 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000894064268 618703098 /nfs/dbraw/zinc/70/30/98/618703098.db2.gz HMUXUEVYABQLSI-UHFFFAOYSA-N 0 0 311.372 3.309 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)NC[C@H]1CCCCS1 ZINC000894128905 618716665 /nfs/dbraw/zinc/71/66/65/618716665.db2.gz KGLKUMKUJQKEHM-LLVKDONJSA-N 0 0 314.838 3.131 20 10 DGCDRN [O-]c1c(C[NH2+]CCSCCC(F)(F)F)ccc(F)c1F ZINC000877729996 618728630 /nfs/dbraw/zinc/72/86/30/618728630.db2.gz IWCFDPLXYXQUGG-UHFFFAOYSA-N 0 0 315.307 3.446 20 10 DGCDRN COc1cc(C)cc(CNCc2csc([C@@H](C)OC)n2)c1O ZINC000894319784 618763617 /nfs/dbraw/zinc/76/36/17/618763617.db2.gz FOLOZELDPKXFTK-LLVKDONJSA-N 0 0 322.430 3.163 20 10 DGCDRN CO[C@@H](C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC(C)C ZINC000841889026 618777010 /nfs/dbraw/zinc/77/70/10/618777010.db2.gz YBJXSCWGFFTHDW-GFCCVEGCSA-N 0 0 316.785 3.105 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000895511995 618794134 /nfs/dbraw/zinc/79/41/34/618794134.db2.gz FDQQQYICSWAFTF-KDYLLFBJSA-N 0 0 321.779 3.325 20 10 DGCDRN O=C(NCc1ccccc1O)[C@H](c1ccncc1)C1CCCC1 ZINC000896014931 618862373 /nfs/dbraw/zinc/86/23/73/618862373.db2.gz FTHHQAJSSGEYPO-SFHVURJKSA-N 0 0 310.397 3.377 20 10 DGCDRN O=C(NCC1CCSCC1)c1cc2cc(O)c(O)cc2s1 ZINC000896342390 618902329 /nfs/dbraw/zinc/90/23/29/618902329.db2.gz OHQZRPPZDGPLNS-UHFFFAOYSA-N 0 0 323.439 3.186 20 10 DGCDRN CCOc1cccc(CN2CCS[C@@H](C(F)(F)F)C2)c1O ZINC000896456364 618916248 /nfs/dbraw/zinc/91/62/48/618916248.db2.gz UKMTYKGRTFXSIN-GFCCVEGCSA-N 0 0 321.364 3.271 20 10 DGCDRN CC(C)OCCCN(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896523028 618924821 /nfs/dbraw/zinc/92/48/21/618924821.db2.gz WUHHQZYBLGNUIF-UHFFFAOYSA-N 0 0 323.414 3.200 20 10 DGCDRN C[C@@H]([NH2+]Cc1c([O-])cccc1F)[C@H]1COc2ccccc2C1 ZINC000896642930 618938055 /nfs/dbraw/zinc/93/80/55/618938055.db2.gz SJRRAFITFAELRT-TZMCWYRMSA-N 0 0 301.361 3.261 20 10 DGCDRN COc1ccc(CC[C@H](C)[NH2+]Cc2c([O-])cccc2F)cc1O ZINC000896638786 618939905 /nfs/dbraw/zinc/93/99/05/618939905.db2.gz XCNKBDFVUYLRSD-LBPRGKRZSA-N 0 0 319.376 3.356 20 10 DGCDRN C[C@H]1Cc2cc(C[NH2+]Cc3ccc(F)c(F)c3[O-])ccc2O1 ZINC000896824838 618965716 /nfs/dbraw/zinc/96/57/16/618965716.db2.gz LSNYYSMZPZSBIR-JTQLQIEISA-N 0 0 305.324 3.284 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NCC(C)(C)C2CC2)cc1 ZINC000896997362 619000010 /nfs/dbraw/zinc/00/00/10/619000010.db2.gz PGSSIGBOVCUJEH-UHFFFAOYSA-N 0 0 303.450 3.330 20 10 DGCDRN CC[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)CC(F)(F)F ZINC000840514872 619037236 /nfs/dbraw/zinc/03/72/36/619037236.db2.gz LXMAOXWXEYMOTI-DFVUYQKZSA-N 0 0 317.307 3.206 20 10 DGCDRN Cc1cnc(Cl)nc1/C=C/c1ccc(N2CCOCC2)cc1 ZINC000840718290 619039011 /nfs/dbraw/zinc/03/90/11/619039011.db2.gz CQMDLMCNSIJNNI-QPJJXVBHSA-N 0 0 315.804 3.445 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)C(F)F ZINC000881282747 625312207 /nfs/dbraw/zinc/31/22/07/625312207.db2.gz LRALDSQBNTYHIJ-LBPRGKRZSA-N 0 0 313.392 3.326 20 10 DGCDRN COc1cccc(C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)c1O ZINC000897269736 619039986 /nfs/dbraw/zinc/03/99/86/619039986.db2.gz OBSFEOREEFVWNX-OAHLLOKOSA-N 0 0 305.418 3.039 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C)C(F)F)cc1 ZINC000881283073 625312394 /nfs/dbraw/zinc/31/23/94/625312394.db2.gz WGPMHSUVEXWLAB-GFCCVEGCSA-N 0 0 313.392 3.328 20 10 DGCDRN C[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C(F)F ZINC000881283300 625312900 /nfs/dbraw/zinc/31/29/00/625312900.db2.gz ZVGPTCRHZUHFKI-LLVKDONJSA-N 0 0 311.376 3.080 20 10 DGCDRN O=C(NCc1c(O)cccc1F)C12CC(c3ccccc3)(C1)C2 ZINC000928707782 619059253 /nfs/dbraw/zinc/05/92/53/619059253.db2.gz IBTFJYDSCIQDOS-UHFFFAOYSA-N 0 0 311.356 3.269 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cc(C2CC2)cnc1Cl ZINC000928708557 619059566 /nfs/dbraw/zinc/05/95/66/619059566.db2.gz OYRQPSZMODYHSW-UHFFFAOYSA-N 0 0 320.751 3.387 20 10 DGCDRN O=C(NC[C@H]1CCCCS1)c1cc2cc(O)c(O)cc2s1 ZINC000897368693 619093368 /nfs/dbraw/zinc/09/33/68/619093368.db2.gz SFVDTZHWFTUYIE-SNVBAGLBSA-N 0 0 323.439 3.328 20 10 DGCDRN Cc1noc(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)n1 ZINC000130124281 619123525 /nfs/dbraw/zinc/12/35/25/619123525.db2.gz GVJVAMHWEUYCLT-UHFFFAOYSA-N 0 0 310.357 3.346 20 10 DGCDRN C[C@H]([NH2+]CCC(=O)N1CCCCC1)c1ccc(Cl)cc1[O-] ZINC000841746289 619136531 /nfs/dbraw/zinc/13/65/31/619136531.db2.gz XSDYRTXSMGFUAV-LBPRGKRZSA-N 0 0 310.825 3.099 20 10 DGCDRN COC1(CCNC(=O)c2cc3cc(O)c(O)cc3s2)CCC1 ZINC000897850471 619188660 /nfs/dbraw/zinc/18/86/60/619188660.db2.gz RUGDSTCMDWPSNH-UHFFFAOYSA-N 0 0 321.398 3.002 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2CCSC(C)(C)C2)c1 ZINC000897854900 619188984 /nfs/dbraw/zinc/18/89/84/619188984.db2.gz OOVPRLCQLDYACU-ZDUSSCGKSA-N 0 0 308.447 3.174 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000898215587 619222371 /nfs/dbraw/zinc/22/23/71/619222371.db2.gz OFOAHAKJRNMTOX-CQSZACIVSA-N 0 0 302.805 3.478 20 10 DGCDRN CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])[C@@H]1SC ZINC000898218365 619222570 /nfs/dbraw/zinc/22/25/70/619222570.db2.gz FRVGGUCVOCTVMH-SCRDCRAPSA-N 0 0 301.839 3.044 20 10 DGCDRN CCOc1ccc(O)c(C[NH2+]Cc2cccc(Cl)c2[O-])c1 ZINC000898219188 619222689 /nfs/dbraw/zinc/22/26/89/619222689.db2.gz CCITXGJLROODBD-UHFFFAOYSA-N 0 0 307.777 3.440 20 10 DGCDRN CC(C)(CNC(=O)NCc1c(O)cccc1F)C(C)(F)F ZINC000923915797 619247585 /nfs/dbraw/zinc/24/75/85/619247585.db2.gz ZMKCVQDFFXAGHC-UHFFFAOYSA-N 0 0 304.312 3.012 20 10 DGCDRN C[C@@H](NC(=O)NC[C@@H]1CCCC(C)(C)O1)c1ccccc1O ZINC000898638076 619288716 /nfs/dbraw/zinc/28/87/16/619288716.db2.gz XMCCNXWJIBRLQJ-OLZOCXBDSA-N 0 0 306.406 3.100 20 10 DGCDRN COC1(CNC(=O)N2Cc3cccc(O)c3C2)CCCCCC1 ZINC000898933222 619301248 /nfs/dbraw/zinc/30/12/48/619301248.db2.gz AHBVNIVJDFMZSC-UHFFFAOYSA-N 0 0 318.417 3.157 20 10 DGCDRN CCC(F)(F)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000899137188 619314346 /nfs/dbraw/zinc/31/43/46/619314346.db2.gz ZSTFQPXIVWAJIT-UHFFFAOYSA-N 0 0 301.314 3.088 20 10 DGCDRN O=C1/C(=C/c2cccc3c2OCC3)SC(=S)N1C1CCC1 ZINC000899260327 619323603 /nfs/dbraw/zinc/32/36/03/619323603.db2.gz CTWMBUSDUFUIBN-LCYFTJDESA-N 0 0 317.435 3.375 20 10 DGCDRN O=C(NC1(C2CC2)CCC1)c1cc2cc(O)c(O)cc2s1 ZINC000899822870 619374668 /nfs/dbraw/zinc/37/46/68/619374668.db2.gz QIVJIILSEZMECJ-UHFFFAOYSA-N 0 0 303.383 3.375 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(C)nc1NC ZINC000901052113 619469665 /nfs/dbraw/zinc/46/96/65/619469665.db2.gz HGOGGSXTIUXUIQ-UHFFFAOYSA-N 0 0 313.401 3.190 20 10 DGCDRN Cc1ccc(CSCC(=O)NCc2ccc(N(C)C)cc2)o1 ZINC000901682304 619533309 /nfs/dbraw/zinc/53/33/09/619533309.db2.gz CCGUSXTXJXYGHU-UHFFFAOYSA-N 0 0 318.442 3.204 20 10 DGCDRN Oc1cccc(Br)c1CNc1cnc(C2CC2)nc1 ZINC000902090167 619588406 /nfs/dbraw/zinc/58/84/06/619588406.db2.gz LGSHGLJOUXJBFP-UHFFFAOYSA-N 0 0 320.190 3.434 20 10 DGCDRN CCN(CC)c1ccc(CNc2cc(C)cn(C)c2=O)cc1F ZINC000902255771 619607523 /nfs/dbraw/zinc/60/75/23/619607523.db2.gz LZMXUQJGMRBAFJ-UHFFFAOYSA-N 0 0 317.408 3.291 20 10 DGCDRN c1cnc(C2CC2)c(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000902287773 619611826 /nfs/dbraw/zinc/61/18/26/619611826.db2.gz DCJNJFJMCMKQRL-UHFFFAOYSA-N 0 0 309.413 3.408 20 10 DGCDRN O=C1NCC[C@@H]1CCOc1ccc(N2CCCCC2)c(Cl)c1 ZINC000902446735 619639538 /nfs/dbraw/zinc/63/95/38/619639538.db2.gz VPGHJFMNSZBBMW-CYBMUJFWSA-N 0 0 322.836 3.235 20 10 DGCDRN C[C@H](NCc1nc(CN(C)C)cs1)c1ccc(N(C)C)cc1 ZINC000903226667 619738221 /nfs/dbraw/zinc/73/82/21/619738221.db2.gz PDSKGPFKWXSXJE-ZDUSSCGKSA-N 0 0 318.490 3.122 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000903299893 619753346 /nfs/dbraw/zinc/75/33/46/619753346.db2.gz CTQDKSWZJALULI-HOTUBEGUSA-N 0 0 303.233 3.442 20 10 DGCDRN Cc1cc(CO)cc(C)c1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000903303022 619753922 /nfs/dbraw/zinc/75/39/22/619753922.db2.gz JDQYDZOPZQPUKT-CYBMUJFWSA-N 0 0 303.377 3.491 20 10 DGCDRN C[C@@H]([NH2+]C[C@@](C)(O)c1cccc(F)c1)c1ccc(F)cc1[O-] ZINC000903307758 619756809 /nfs/dbraw/zinc/75/68/09/619756809.db2.gz FANQGEYSOALKET-PIGZYNQJSA-N 0 0 307.340 3.229 20 10 DGCDRN C[C@@H](NCc1cc(C(F)(F)F)n(C)n1)c1cc(F)ccc1O ZINC000903340786 619760639 /nfs/dbraw/zinc/76/06/39/619760639.db2.gz JPHGQIXGUZOURO-MRVPVSSYSA-N 0 0 317.286 3.134 20 10 DGCDRN C[C@@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)c1cc(F)cc(F)c1[O-] ZINC000903364366 619765973 /nfs/dbraw/zinc/76/59/73/619765973.db2.gz XQFSKIUUMPBKKP-OHUAYANFSA-N 0 0 309.356 3.280 20 10 DGCDRN C[C@H](NC(=O)N(O)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000904182386 619888871 /nfs/dbraw/zinc/88/88/71/619888871.db2.gz BZSDYXBOXQMYOE-AWEZNQCLSA-N 0 0 313.401 3.415 20 10 DGCDRN COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(N)cc2)nc1 ZINC000904500774 619925664 /nfs/dbraw/zinc/92/56/64/619925664.db2.gz PZXQRADEKOKEEB-MRXNPFEDSA-N 0 0 312.373 3.041 20 10 DGCDRN CCc1nc[nH]c1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000906345993 620088525 /nfs/dbraw/zinc/08/85/25/620088525.db2.gz YZUNUBCLSUXKOR-UHFFFAOYSA-N 0 0 314.433 3.089 20 10 DGCDRN CC[C@@H]1CCC[C@@]1(C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000907276180 620146561 /nfs/dbraw/zinc/14/65/61/620146561.db2.gz ZTBKCDCYMNZBFK-RVZJWNSFSA-N 0 0 305.418 3.361 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1[nH]cnc1CC ZINC000908045667 620187677 /nfs/dbraw/zinc/18/76/77/620187677.db2.gz RMYACEBASBTFEI-UHFFFAOYSA-N 0 0 301.390 3.120 20 10 DGCDRN O=S(=O)(CC1CCCCC1)NCc1cccc(Cl)c1O ZINC000908328191 620201835 /nfs/dbraw/zinc/20/18/35/620201835.db2.gz IKIRXAWNEYWMFZ-UHFFFAOYSA-N 0 0 317.838 3.045 20 10 DGCDRN O=C(C[C@H]1CCCc2ccccc21)NCc1ccc(O)cc1O ZINC000910954154 620318659 /nfs/dbraw/zinc/31/86/59/620318659.db2.gz IIFUGLMPEKRUQI-CQSZACIVSA-N 0 0 311.381 3.224 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000910943239 620319606 /nfs/dbraw/zinc/31/96/06/620319606.db2.gz LGPWQKOJDZBMQZ-HDJSIYSDSA-N 0 0 303.402 3.321 20 10 DGCDRN CSc1ccc(CCC(=O)NCCc2ccc(N)cc2)cc1 ZINC000911782416 620346064 /nfs/dbraw/zinc/34/60/64/620346064.db2.gz ILSNCUDFSBENFY-UHFFFAOYSA-N 0 0 314.454 3.282 20 10 DGCDRN CCN(CC)c1ccc(CNC(=S)NC2(C)CC2)cc1F ZINC000789235815 625423670 /nfs/dbraw/zinc/42/36/70/625423670.db2.gz ZAOKQANFQOERHQ-UHFFFAOYSA-N 0 0 309.454 3.189 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H]2C(F)(F)F)cc1 ZINC000913018291 620420765 /nfs/dbraw/zinc/42/07/65/620420765.db2.gz JDPKJMRHEWQZRZ-JTQLQIEISA-N 0 0 314.267 3.016 20 10 DGCDRN C1=CCN(c2ccc(CNc3ncnc4c3CCCC4)cc2)C1 ZINC000153144407 620535169 /nfs/dbraw/zinc/53/51/69/620535169.db2.gz NLRZZPJGBMFOSZ-UHFFFAOYSA-N 0 0 306.413 3.344 20 10 DGCDRN Cc1noc(C)c1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000914506153 620539700 /nfs/dbraw/zinc/53/97/00/620539700.db2.gz HCQHMUWXOXPSBL-UHFFFAOYSA-N 0 0 315.417 3.408 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC[C@@H]1CCCO1 ZINC000914724859 620550326 /nfs/dbraw/zinc/55/03/26/620550326.db2.gz ANUGHSCJGCMVSQ-SFHVURJKSA-N 0 0 318.461 3.449 20 10 DGCDRN O=C(/C=C/c1cccc(O)c1)NCCCSc1nccs1 ZINC000153358480 620554003 /nfs/dbraw/zinc/55/40/03/620554003.db2.gz AIFFJYWKJCWYLK-AATRIKPKSA-N 0 0 320.439 3.161 20 10 DGCDRN O=C(NCC[C@H]1CCCC1(F)F)NCc1c(O)cccc1F ZINC000924005360 620571638 /nfs/dbraw/zinc/57/16/38/620571638.db2.gz BZBCKVLHRKTWRF-SNVBAGLBSA-N 0 0 316.323 3.156 20 10 DGCDRN Cc1cccc(NC(=S)NCc2cccc(N(C)C)n2)c1C ZINC000754691128 620575894 /nfs/dbraw/zinc/57/58/94/620575894.db2.gz FXNQRUIIUIAPHZ-UHFFFAOYSA-N 0 0 314.458 3.251 20 10 DGCDRN CSCC[C@H](C)NC(=O)NCCCSc1nccs1 ZINC000153749552 620602172 /nfs/dbraw/zinc/60/21/72/620602172.db2.gz CLOLURZYAYFRGJ-JTQLQIEISA-N 0 0 319.521 3.066 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)/C=C/c2cnc(C)s2)c1 ZINC000153897628 620621089 /nfs/dbraw/zinc/62/10/89/620621089.db2.gz VDCTXGJFJPOAEP-STUBTGCMSA-N 0 0 318.398 3.056 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCCCOC(C)(C)C ZINC000852550770 620628390 /nfs/dbraw/zinc/62/83/90/620628390.db2.gz FPKRWGPGMZNCNN-UHFFFAOYSA-N 0 0 321.465 3.065 20 10 DGCDRN CCCCO[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000920878836 620826675 /nfs/dbraw/zinc/82/66/75/620826675.db2.gz MBWJDTXUTOYEDZ-OAHLLOKOSA-N 0 0 318.461 3.449 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)Cn1cc(Cl)cn1 ZINC000921186926 620841913 /nfs/dbraw/zinc/84/19/13/620841913.db2.gz VHUHBKICPIYATD-UHFFFAOYSA-N 0 0 306.841 3.471 20 10 DGCDRN Cc1cc(CC(=O)NCc2cnc(C)o2)c(C)n1-c1ccccc1 ZINC000854911032 620853496 /nfs/dbraw/zinc/85/34/96/620853496.db2.gz KSZHNGXJSKIHDF-UHFFFAOYSA-N 0 0 323.396 3.249 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000854949830 620856752 /nfs/dbraw/zinc/85/67/52/620856752.db2.gz XKQFOKPLBZONHJ-SIXLDLHFSA-N 0 0 300.446 3.154 20 10 DGCDRN O=C(NCCCSc1nccs1)NC[C@]12C[C@H]1CCC2 ZINC000921447745 620857597 /nfs/dbraw/zinc/85/75/97/620857597.db2.gz RJZVVMBBFLHGRZ-RISCZKNCSA-N 0 0 311.476 3.115 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)/C(C)=C/C(C)(C)C)C2)cc1 ZINC000855224996 620881719 /nfs/dbraw/zinc/88/17/19/620881719.db2.gz HGXISPZKKFMCBE-OKFGHLOFSA-N 0 0 316.445 3.383 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)[C@H]3C[C@]3(C)C(C)C)C2)cc1 ZINC000855225524 620881985 /nfs/dbraw/zinc/88/19/85/620881985.db2.gz KANXRFCCHQHFQD-POZUXBRTSA-N 0 0 316.445 3.072 20 10 DGCDRN CC[C@H](C)[C@H](C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855224172 620882008 /nfs/dbraw/zinc/88/20/08/620882008.db2.gz FHLYIXRCSWOJAI-SOUVJXGZSA-N 0 0 304.434 3.072 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)C[C@H]3C=CCCC3)C2)cc1 ZINC000855228198 620882161 /nfs/dbraw/zinc/88/21/61/620882161.db2.gz XFIKLFSTHOXMPC-JKSUJKDBSA-N 0 0 314.429 3.137 20 10 DGCDRN CCCC1(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCC1 ZINC000855234127 620882907 /nfs/dbraw/zinc/88/29/07/620882907.db2.gz SQDUBNDRIFORDN-OAHLLOKOSA-N 0 0 316.445 3.361 20 10 DGCDRN C[C@@H]([NH2+]CCc1cn(C)cn1)c1cc(Cl)c(Cl)cc1[O-] ZINC000840766489 620885600 /nfs/dbraw/zinc/88/56/00/620885600.db2.gz NNIIAFYAVIKEPB-SECBINFHSA-N 0 0 314.216 3.326 20 10 DGCDRN O=C(NCc1cccc(OC2CC2)c1F)C1=CC(=O)CS1 ZINC000855611553 620918252 /nfs/dbraw/zinc/91/82/52/620918252.db2.gz QJKOTPDBMZLFHN-UHFFFAOYSA-N 0 0 307.346 3.064 20 10 DGCDRN CC[C@H](CC(F)(F)F)NC(=O)NCc1c(O)cccc1F ZINC000921973636 620975923 /nfs/dbraw/zinc/97/59/23/620975923.db2.gz QLSGAPRNOKEJOJ-MRVPVSSYSA-N 0 0 308.275 3.062 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N(CCC1CC1)CC1CC1 ZINC000856283809 620980333 /nfs/dbraw/zinc/98/03/33/620980333.db2.gz PHJHZAHRWAANLP-SOFGYWHQSA-N 0 0 301.386 3.150 20 10 DGCDRN Cc1ccc(C(=O)N(C)C[C@@H]2CCc3ccccc32)c(O)c1O ZINC000856306357 620983090 /nfs/dbraw/zinc/98/30/90/620983090.db2.gz YUNZXQCTPGELBK-AWEZNQCLSA-N 0 0 311.381 3.208 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1CCS[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000922054871 620984227 /nfs/dbraw/zinc/98/42/27/620984227.db2.gz MQWRRXZBYLACEE-IPYPFGDCSA-N 0 0 321.490 3.397 20 10 DGCDRN CCc1onc(C)c1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000922132650 620993945 /nfs/dbraw/zinc/99/39/45/620993945.db2.gz XJWJWZQKDIRIFL-UHFFFAOYSA-N 0 0 315.417 3.119 20 10 DGCDRN Cc1ccc(C(=O)N2CC3(CCC3)[C@@H]2c2ccncc2)c(O)c1O ZINC000856492132 620999332 /nfs/dbraw/zinc/99/93/32/620999332.db2.gz KJFMQGPOSLNPDU-KRWDZBQOSA-N 0 0 324.380 3.169 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2cccc3cccnc32)c1 ZINC000114512480 621008168 /nfs/dbraw/zinc/00/81/68/621008168.db2.gz JVGDMYYKZDMVPT-UHFFFAOYSA-N 0 0 323.352 3.271 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NCc2ccccc2Cl)c1 ZINC000114512453 621008314 /nfs/dbraw/zinc/00/83/14/621008314.db2.gz DAYHRQXZVNSTHW-UHFFFAOYSA-N 0 0 320.776 3.054 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2cc3cc(C)ccc3o2)c1 ZINC000114543401 621009140 /nfs/dbraw/zinc/00/91/40/621009140.db2.gz UIFAPVGXJMJYLX-UHFFFAOYSA-N 0 0 311.337 3.385 20 10 DGCDRN COCCN(Cc1ccnc(C)c1)c1ccc(OC)c(OC)c1 ZINC000856730600 621013091 /nfs/dbraw/zinc/01/30/91/621013091.db2.gz FZSIRHWBRAPOEN-UHFFFAOYSA-N 0 0 316.401 3.060 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2ccc(SC)cc2)c1 ZINC000114567904 621016205 /nfs/dbraw/zinc/01/62/05/621016205.db2.gz VXUXVMSCVGCDRQ-UHFFFAOYSA-N 0 0 318.398 3.444 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NC[C@@H]2CCC[C@@H](C)C2)c1 ZINC000114591426 621016326 /nfs/dbraw/zinc/01/63/26/621016326.db2.gz DWILBUURJXOVIT-CHWSQXEVSA-N 0 0 306.406 3.026 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@H](C)c2ccccc2C)c1 ZINC000114581647 621016543 /nfs/dbraw/zinc/01/65/43/621016543.db2.gz VSIFJKMLGXXRKO-CYBMUJFWSA-N 0 0 314.385 3.270 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@@H](C)CCCC(C)C)c1 ZINC000114582036 621016745 /nfs/dbraw/zinc/01/67/45/621016745.db2.gz XABANVUTGRJREM-ZDUSSCGKSA-N 0 0 308.422 3.415 20 10 DGCDRN CCN(CC)c1ccc(CNCc2cn(C)nc2Cl)cc1 ZINC000856765727 621017132 /nfs/dbraw/zinc/01/71/32/621017132.db2.gz LJJVLUKGQMOWFW-UHFFFAOYSA-N 0 0 306.841 3.210 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1nccc(OC)c1OC ZINC000789306131 625453802 /nfs/dbraw/zinc/45/38/02/625453802.db2.gz NYEBVHHYBILRDU-UHFFFAOYSA-N 0 0 314.385 3.060 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CC(CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000856789772 621022134 /nfs/dbraw/zinc/02/21/34/621022134.db2.gz KTAVCVDJMCIRAE-ALCCZGGFSA-N 0 0 316.357 3.017 20 10 DGCDRN C[C@H](NC(=O)N1CC(CC2CC2)C1)c1ccc(N(C)C)cc1 ZINC000856886658 621031239 /nfs/dbraw/zinc/03/12/39/621031239.db2.gz OYACSSSXRRTKHU-ZDUSSCGKSA-N 0 0 301.434 3.255 20 10 DGCDRN CN(C)c1cc(F)c(CNCc2nc3c(s2)CCC3)cc1F ZINC000922470905 621040942 /nfs/dbraw/zinc/04/09/42/621040942.db2.gz BWJOCXSKXQZDDD-UHFFFAOYSA-N 0 0 323.412 3.266 20 10 DGCDRN CN(C)c1ccc(/C=C/C[NH2+]Cc2cc(N(C)C)ccn2)cc1 ZINC000922479925 621044166 /nfs/dbraw/zinc/04/41/66/621044166.db2.gz SRXOECQDNQAJOT-AATRIKPKSA-N 0 0 310.445 3.017 20 10 DGCDRN CCOc1ccc(O)c(CN[C@H]2c3ccccc3OC[C@H]2F)c1 ZINC000922527440 621051246 /nfs/dbraw/zinc/05/12/46/621051246.db2.gz ZNCVLKMAFGYGQI-QAPCUYQASA-N 0 0 317.360 3.352 20 10 DGCDRN COCC1(C(=O)N[C@H](C)c2cc(OC)ccc2O)CCCCC1 ZINC000857117151 621058834 /nfs/dbraw/zinc/05/88/34/621058834.db2.gz WYZARWGBKNFPBW-CYBMUJFWSA-N 0 0 321.417 3.175 20 10 DGCDRN CCCN(CCC)c1ccc(CN[C@@H](C)c2cn(C)nn2)cc1 ZINC000922636925 621071379 /nfs/dbraw/zinc/07/13/79/621071379.db2.gz WHLCFLATJMLZJV-HNNXBMFYSA-N 0 0 315.465 3.292 20 10 DGCDRN Cc1c(F)cccc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000857442800 621088525 /nfs/dbraw/zinc/08/85/25/621088525.db2.gz VAWDRUYEWPQOIB-UHFFFAOYSA-N 0 0 312.388 3.447 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)Oc1ccccc1 ZINC000115281558 621094571 /nfs/dbraw/zinc/09/45/71/621094571.db2.gz LQTHUYCEIPVBER-HNNXBMFYSA-N 0 0 312.413 3.145 20 10 DGCDRN CC(=O)c1csc(C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000115280535 621094678 /nfs/dbraw/zinc/09/46/78/621094678.db2.gz RAMGQYUBZBYDDT-UHFFFAOYSA-N 0 0 316.426 3.255 20 10 DGCDRN CSC(C)(C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000857575427 621097522 /nfs/dbraw/zinc/09/75/22/621097522.db2.gz NSEDDOYCNCKZRO-UHFFFAOYSA-N 0 0 306.475 3.385 20 10 DGCDRN C[C@]1(C[NH2+]Cc2cccc(Br)c2[O-])CCCCO1 ZINC000922816310 621104637 /nfs/dbraw/zinc/10/46/37/621104637.db2.gz IKEULIXCQTYASH-CQSZACIVSA-N 0 0 314.223 3.204 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2CCSC3(CCC3)C2)c1 ZINC000922842318 621107069 /nfs/dbraw/zinc/10/70/69/621107069.db2.gz LKGIRPVRMXGMNI-GFCCVEGCSA-N 0 0 308.403 3.208 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCc1cccc(F)c1 ZINC000115654233 621120938 /nfs/dbraw/zinc/12/09/38/621120938.db2.gz SCFLGCZGWQUSEA-UHFFFAOYSA-N 0 0 315.392 3.200 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000922895687 621125386 /nfs/dbraw/zinc/12/53/86/621125386.db2.gz GEHDRYDLITXXTB-BDJLRTHQSA-N 0 0 313.800 3.480 20 10 DGCDRN COc1cccc(O)c1C[NH2+]C[C@@]1(c2ccccc2)CCCO1 ZINC000922959887 621136948 /nfs/dbraw/zinc/13/69/48/621136948.db2.gz HXXMJWYXJHPKHA-LJQANCHMSA-N 0 0 313.397 3.196 20 10 DGCDRN C[C@@]1([NH2+]Cc2cc(F)cc(F)c2[O-])CCOc2ccccc21 ZINC000923023760 621148407 /nfs/dbraw/zinc/14/84/07/621148407.db2.gz CNMUFGFMPUJLOW-QGZVFWFLSA-N 0 0 305.324 3.458 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C)Cc1ccsc1 ZINC000115855167 621152175 /nfs/dbraw/zinc/15/21/75/621152175.db2.gz GKULIVMYWSVNGX-UHFFFAOYSA-N 0 0 317.458 3.464 20 10 DGCDRN CCc1cnc(CNCc2cc(F)c(N(C)C)cc2F)s1 ZINC000858147510 621158336 /nfs/dbraw/zinc/15/83/36/621158336.db2.gz RWXGIVCQUYPJMH-UHFFFAOYSA-N 0 0 311.401 3.340 20 10 DGCDRN C[C@H](O)[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1ccccc1 ZINC000858196410 621163720 /nfs/dbraw/zinc/16/37/20/621163720.db2.gz ONZMSEZBEAPGAT-KPZWWZAWSA-N 0 0 320.383 3.243 20 10 DGCDRN C[C@@H](O)[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1ccccc1 ZINC000858196411 621163765 /nfs/dbraw/zinc/16/37/65/621163765.db2.gz ONZMSEZBEAPGAT-KZULUSFZSA-N 0 0 320.383 3.243 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@@]2(C)c2ccccc2)c1 ZINC000858248182 621168336 /nfs/dbraw/zinc/16/83/36/621168336.db2.gz UADQWZCMCUTUKU-HKUYNNGSSA-N 0 0 310.397 3.230 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCCc2c(C)cccc2C)c1 ZINC000858303025 621173181 /nfs/dbraw/zinc/17/31/81/621173181.db2.gz RPWNZCZQQHUVLI-UHFFFAOYSA-N 0 0 312.413 3.359 20 10 DGCDRN CCO[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1CC1 ZINC000858341667 621178448 /nfs/dbraw/zinc/17/84/48/621178448.db2.gz KCGVUZMTYAYGJG-SFHVURJKSA-N 0 0 316.445 3.059 20 10 DGCDRN CCC[C@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)OCC ZINC000858368912 621181848 /nfs/dbraw/zinc/18/18/48/621181848.db2.gz PJAHNARWBGURRE-RHSMWYFYSA-N 0 0 321.465 3.318 20 10 DGCDRN CC[C@@H]([NH2+][C@H]1Cc2ccccc2NC1=O)c1ccc(N(C)C)cc1 ZINC000858526940 621201296 /nfs/dbraw/zinc/20/12/96/621201296.db2.gz BPYYMFLKUOGGQX-MJGOQNOKSA-N 0 0 323.440 3.357 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC[C@H]2CCC[C@H]2C2CC2)c1 ZINC000858537120 621202537 /nfs/dbraw/zinc/20/25/37/621202537.db2.gz MNUHMHNGXMUHKN-ZBFHGGJFSA-N 0 0 302.418 3.326 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@]2(C)CC=CCC2)cc1F ZINC000838027863 621203188 /nfs/dbraw/zinc/20/31/88/621203188.db2.gz AFKQRWJUOGAGNQ-QGZVFWFLSA-N 0 0 305.397 3.190 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC[C@H](C)CC(F)(F)F)c1 ZINC000858540645 621203344 /nfs/dbraw/zinc/20/33/44/621203344.db2.gz KNYQOWKJAFRAJQ-SNVBAGLBSA-N 0 0 304.312 3.088 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@@]2(F)c2ccccc2)c1 ZINC000858554808 621204337 /nfs/dbraw/zinc/20/43/37/621204337.db2.gz SPKHOKHMPDIPAV-FUHWJXTLSA-N 0 0 314.360 3.137 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H]2c2ccccc2C)c1 ZINC000858581605 621206526 /nfs/dbraw/zinc/20/65/26/621206526.db2.gz HCLWZIJSVAOFEL-DLBZAZTESA-N 0 0 310.397 3.364 20 10 DGCDRN CCC[C@H](CNC(=O)NCc1ccc(N(C)C)cc1C)OCC ZINC000858681943 621214461 /nfs/dbraw/zinc/21/44/61/621214461.db2.gz KTCZLFRQGPECAC-QGZVFWFLSA-N 0 0 321.465 3.065 20 10 DGCDRN CCO[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)C(C)C ZINC000858836548 621224598 /nfs/dbraw/zinc/22/45/98/621224598.db2.gz CEFUZTMPIWJWOH-GOSISDBHSA-N 0 0 318.461 3.354 20 10 DGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)OCCF ZINC000859042069 621241876 /nfs/dbraw/zinc/24/18/76/621241876.db2.gz FABMEBZVNJPTOP-UHFFFAOYSA-N 0 0 320.158 3.083 20 10 DGCDRN CCN(Cc1noc(C2CCC2)n1)c1ccc(OC)c(OC)c1 ZINC000859176254 621257443 /nfs/dbraw/zinc/25/74/43/621257443.db2.gz UVQQSJYAMPVKFM-UHFFFAOYSA-N 0 0 317.389 3.381 20 10 DGCDRN CC[C@@H]1CCC[C@H]1CNC(=O)NCc1cc(OC)ccc1O ZINC000838474315 621257917 /nfs/dbraw/zinc/25/79/17/621257917.db2.gz IDZGXJCEDARDDE-OLZOCXBDSA-N 0 0 306.406 3.026 20 10 DGCDRN CC[C@H]1CCC[C@H]1CNC(=O)NCc1cc(OC)ccc1O ZINC000838474317 621257953 /nfs/dbraw/zinc/25/79/53/621257953.db2.gz IDZGXJCEDARDDE-STQMWFEESA-N 0 0 306.406 3.026 20 10 DGCDRN CC(C)(C)C1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000838485243 621259099 /nfs/dbraw/zinc/25/90/99/621259099.db2.gz FPMGQLXJIVJSSD-UHFFFAOYSA-N 0 0 313.445 3.250 20 10 DGCDRN CC(C)(NC(=O)NCc1ccc(N2CC=CC2)cc1)C1CCC1 ZINC000838487081 621259382 /nfs/dbraw/zinc/25/93/82/621259382.db2.gz VWKYAFPNBIDYSG-UHFFFAOYSA-N 0 0 313.445 3.441 20 10 DGCDRN CC(F)(F)CCCNC(=O)NCCCSc1nccs1 ZINC000838513510 621261839 /nfs/dbraw/zinc/26/18/39/621261839.db2.gz AAPMWOYMXZSWSV-UHFFFAOYSA-N 0 0 323.434 3.360 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1ncccc1Cl ZINC000859217513 621261991 /nfs/dbraw/zinc/26/19/91/621261991.db2.gz NCIRMBICNOQHRE-UHFFFAOYSA-N 0 0 303.793 3.200 20 10 DGCDRN O=C(NOCC1CC1)N(Cc1ccco1)Cc1ccccc1O ZINC000838606638 621264289 /nfs/dbraw/zinc/26/42/89/621264289.db2.gz MFCWUNHOCUTPTK-UHFFFAOYSA-N 0 0 316.357 3.039 20 10 DGCDRN CCC[C@H](NC(=O)NCc1cccc(OC)c1O)C(C)(C)C ZINC000838657165 621267057 /nfs/dbraw/zinc/26/70/57/621267057.db2.gz AXNBMSSTTXDOQO-AWEZNQCLSA-N 0 0 308.422 3.415 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)[C@H](OC)C1CC1 ZINC000838702053 621271983 /nfs/dbraw/zinc/27/19/83/621271983.db2.gz RHMVSESWNKBYNZ-DYVFJYSZSA-N 0 0 320.433 3.127 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCC1(CC)COC1 ZINC000838698704 621274699 /nfs/dbraw/zinc/27/46/99/621274699.db2.gz WIONDSZSXFNIKB-UHFFFAOYSA-N 0 0 320.433 3.131 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1C[C@@H](OCC)C1 ZINC000838749917 621274954 /nfs/dbraw/zinc/27/49/54/621274954.db2.gz PIIVCQQGDVHEQH-IYBDPMFKSA-N 0 0 320.433 3.271 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1ccc2c(n1)CCC2 ZINC000839012964 621315003 /nfs/dbraw/zinc/31/50/03/621315003.db2.gz JDPXXINNWBNOMC-UHFFFAOYSA-N 0 0 309.413 3.035 20 10 DGCDRN CCC1(C)CN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000839142529 621341089 /nfs/dbraw/zinc/34/10/89/621341089.db2.gz IDQGTRMVNPMRCB-UHFFFAOYSA-N 0 0 314.223 3.395 20 10 DGCDRN C[C@H](C[N@H+](C)Cc1cccc(Cl)c1[O-])C(=O)OC(C)(C)C ZINC000839192537 621347391 /nfs/dbraw/zinc/34/73/91/621347391.db2.gz KAMFJSMJOOAKNZ-LLVKDONJSA-N 0 0 313.825 3.455 20 10 DGCDRN C[C@H](CC(=O)NCc1c(O)ccc2c1CCCC2)C(F)(F)F ZINC000860243528 621385791 /nfs/dbraw/zinc/38/57/91/621385791.db2.gz PFDLZDXKQKZHCM-SNVBAGLBSA-N 0 0 315.335 3.476 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2oc(C(F)F)cc2C)c1 ZINC000860241795 621385941 /nfs/dbraw/zinc/38/59/41/621385941.db2.gz NSECATTXYXOBBY-UHFFFAOYSA-N 0 0 311.284 3.170 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)OC[C@@H]1CCCO1 ZINC000804960518 621390880 /nfs/dbraw/zinc/39/08/80/621390880.db2.gz RDZDOVWEPOZLAQ-KRWDZBQOSA-N 0 0 320.433 3.279 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CSC[C@H]2C)cc1 ZINC000804967334 621391100 /nfs/dbraw/zinc/39/11/00/621391100.db2.gz OJFLDSKOCWHQIS-CZUORRHYSA-N 0 0 321.490 3.084 20 10 DGCDRN Cc1ccc([C@H]2CCN(C(=O)/C=C\c3ccc(O)c(O)c3)C2)cc1 ZINC000753199794 621430690 /nfs/dbraw/zinc/43/06/90/621430690.db2.gz QHWOWZKXSOXTSQ-OOYWPUHTSA-N 0 0 323.392 3.436 20 10 DGCDRN CCON(C)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000753356323 621437634 /nfs/dbraw/zinc/43/76/34/621437634.db2.gz XILOMWCVAHIFLG-UHFFFAOYSA-N 0 0 315.417 3.230 20 10 DGCDRN CCCCn1ncc(NC(=O)NCc2cc(C)ccc2O)c1C ZINC000860807240 621445242 /nfs/dbraw/zinc/44/52/42/621445242.db2.gz ULOBUYLKWOAMJZ-UHFFFAOYSA-N 0 0 316.405 3.327 20 10 DGCDRN CCCc1cnc(NC(=O)NCc2cc(C)ccc2O)s1 ZINC000860884162 621454697 /nfs/dbraw/zinc/45/46/97/621454697.db2.gz KKFKARYPPIEONW-UHFFFAOYSA-N 0 0 305.403 3.431 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CC(C(C)C)C2)cc1F ZINC000753621389 621455710 /nfs/dbraw/zinc/45/57/10/621455710.db2.gz SVKKTEKRVQFEQV-UHFFFAOYSA-N 0 0 321.440 3.469 20 10 DGCDRN CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)C1(C)C ZINC000753639992 621457246 /nfs/dbraw/zinc/45/72/46/621457246.db2.gz FQNAUTMKTZBKQV-DXCKQFNASA-N 0 0 317.429 3.383 20 10 DGCDRN Cc1[nH]c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C)c1C=O ZINC000860949607 621461383 /nfs/dbraw/zinc/46/13/83/621461383.db2.gz BCSMBGSPPBMRHE-GFCCVEGCSA-N 0 0 313.401 3.001 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccnc(OC(C)C)c2)c1 ZINC000860980604 621465390 /nfs/dbraw/zinc/46/53/90/621465390.db2.gz SHSFQWXRQYVKES-UHFFFAOYSA-N 0 0 315.373 3.205 20 10 DGCDRN COc1ccc2c(c1)CCCN2C[C@@H](O)CCc1ccccc1 ZINC000754008974 621479539 /nfs/dbraw/zinc/47/95/39/621479539.db2.gz JJQIXAJEKDUZHE-SFHVURJKSA-N 0 0 311.425 3.442 20 10 DGCDRN COc1ccc2cccc(CC(=O)NCc3ccccc3O)c2c1 ZINC000754084793 621486100 /nfs/dbraw/zinc/48/61/00/621486100.db2.gz BLMMWNWQRAJHFE-UHFFFAOYSA-N 0 0 321.376 3.413 20 10 DGCDRN Cc1ccc(/C=C/C(=O)N2C[C@H](C)Oc3cc(F)ccc32)cn1 ZINC000754308180 621502078 /nfs/dbraw/zinc/50/20/78/621502078.db2.gz NOSNWRWCJVUQGL-LJLILKBBSA-N 0 0 312.344 3.356 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)[C@@H]2CCCOC2)c1[O-] ZINC000754566975 621517315 /nfs/dbraw/zinc/51/73/15/621517315.db2.gz NCWLZBDHPMJWMW-CMPLNLGQSA-N 0 0 311.809 3.153 20 10 DGCDRN COc1ccc(CNC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)c(O)c1 ZINC000861490031 621518227 /nfs/dbraw/zinc/51/82/27/621518227.db2.gz NYRXHYWFFFJRJE-DLBZAZTESA-N 0 0 311.381 3.129 20 10 DGCDRN COCC[C@H](C)OC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000754590889 621519200 /nfs/dbraw/zinc/51/92/00/621519200.db2.gz AHSJNJKKJSKUAN-ZDUSSCGKSA-N 0 0 302.374 3.071 20 10 DGCDRN CCOC(=O)c1ccccc1N(CC)C(=O)/C=C/c1cccnc1 ZINC000118661477 621548695 /nfs/dbraw/zinc/54/86/95/621548695.db2.gz JZZNIOZOVDFSFI-VAWYXSNFSA-N 0 0 324.380 3.325 20 10 DGCDRN CCO[C@@H](C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)C(C)C ZINC000862002514 621549857 /nfs/dbraw/zinc/54/98/57/621549857.db2.gz UBBTUSGNHNIJKA-MAUKXSAKSA-N 0 0 320.477 3.169 20 10 DGCDRN CN(C)c1cc(F)c(CN2CCCC[C@H]2c2ncc[nH]2)cc1F ZINC000862237395 621564853 /nfs/dbraw/zinc/56/48/53/621564853.db2.gz NTHDSVQQIJWLJV-HNNXBMFYSA-N 0 0 320.387 3.481 20 10 DGCDRN O=C(C=C1CCC1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000755384303 621569847 /nfs/dbraw/zinc/56/98/47/621569847.db2.gz UGAUJHWVOVLZEK-UHFFFAOYSA-N 0 0 304.353 3.445 20 10 DGCDRN CCCCc1noc(CN2CCCc3cc(OC)ccc32)n1 ZINC000862308809 621573814 /nfs/dbraw/zinc/57/38/14/621573814.db2.gz ISEZFGSNXNKCII-UHFFFAOYSA-N 0 0 301.390 3.374 20 10 DGCDRN COc1cc(N(C)Cc2ccnc(F)c2C)cc(OC)c1OC ZINC000862305974 621573890 /nfs/dbraw/zinc/57/38/90/621573890.db2.gz ABUFIGNNBXCFDI-UHFFFAOYSA-N 0 0 320.364 3.191 20 10 DGCDRN COCc1ccnc(NCc2cc(F)c(N(C)C)cc2F)c1 ZINC000862401598 621585594 /nfs/dbraw/zinc/58/55/94/621585594.db2.gz GODQLCPQZLNGFQ-UHFFFAOYSA-N 0 0 307.344 3.184 20 10 DGCDRN CC(C)Cc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000755701907 621587054 /nfs/dbraw/zinc/58/70/54/621587054.db2.gz YYADFYHCRXJBBA-AQTBWJFISA-N 0 0 320.392 3.347 20 10 DGCDRN Cc1cccc2c1C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])CO2 ZINC000862441533 621590275 /nfs/dbraw/zinc/59/02/75/621590275.db2.gz VYYJAOKQDNJAJC-ZDUSSCGKSA-N 0 0 303.789 3.447 20 10 DGCDRN COCCOCc1ccc(NCc2cccc(C)c2O)cc1 ZINC000862531649 621597854 /nfs/dbraw/zinc/59/78/54/621597854.db2.gz IRULOQAGZCDIDK-UHFFFAOYSA-N 0 0 301.386 3.476 20 10 DGCDRN CCOc1cccc(CN2CCOc3cc(F)ccc3C2)c1O ZINC000862551718 621600876 /nfs/dbraw/zinc/60/08/76/621600876.db2.gz YDYGOXUAXDMFOT-UHFFFAOYSA-N 0 0 317.360 3.325 20 10 DGCDRN COC(=O)c1sccc1CN(C)Cc1ccc(N(C)C)cc1 ZINC000756042179 621611742 /nfs/dbraw/zinc/61/17/42/621611742.db2.gz VBSSBIUQAWGCBK-UHFFFAOYSA-N 0 0 318.442 3.233 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CCC[C@H](O)c2ccccc2)c1 ZINC000862755034 621613678 /nfs/dbraw/zinc/61/36/78/621613678.db2.gz NMOQJJXITPZIDH-KRWDZBQOSA-N 0 0 313.397 3.221 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)C2(Cc3ccccc3F)CC2)c1 ZINC000862757490 621613858 /nfs/dbraw/zinc/61/38/58/621613858.db2.gz WIKLNFUFHOXPME-UHFFFAOYSA-N 0 0 313.372 3.479 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)C23CC(c4ccccc4)(C2)C3)c1 ZINC000862757472 621613936 /nfs/dbraw/zinc/61/39/36/621613936.db2.gz VNIGHTGCZOPBEZ-UHFFFAOYSA-N 0 0 307.393 3.439 20 10 DGCDRN COc1ccc(C[C@@H](C)C(=O)NCc2cc(C)ccc2O)cc1 ZINC000862757990 621614271 /nfs/dbraw/zinc/61/42/71/621614271.db2.gz LDZLVXGXSVOLTN-CQSZACIVSA-N 0 0 313.397 3.204 20 10 DGCDRN CCO[C@@H](C)c1ncc(C(=O)NCc2cc(C)ccc2O)s1 ZINC000862759363 621614309 /nfs/dbraw/zinc/61/43/09/621614309.db2.gz CLEIOKMKYHLAGH-NSHDSACASA-N 0 0 320.414 3.185 20 10 DGCDRN CCc1c(C(=O)NCc2cc(C)ccc2O)cnn1CC(C)C ZINC000862757741 621614389 /nfs/dbraw/zinc/61/43/89/621614389.db2.gz DASRMLWJSRZWSQ-UHFFFAOYSA-N 0 0 315.417 3.046 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)c1 ZINC000862760478 621614675 /nfs/dbraw/zinc/61/46/75/621614675.db2.gz RSTBTYUVQUSGDF-OLZOCXBDSA-N 0 0 317.335 3.399 20 10 DGCDRN CCOc1ncc(C(=O)NCc2cc(C)ccc2O)cc1Cl ZINC000862759857 621614855 /nfs/dbraw/zinc/61/48/55/621614855.db2.gz JFCJYEPUXITNRH-UHFFFAOYSA-N 0 0 320.776 3.078 20 10 DGCDRN CC[C@@H](C[NH2+]Cc1ccc(N(CC)CC)c(F)c1)CC(=O)[O-] ZINC000756311746 621627252 /nfs/dbraw/zinc/62/72/52/621627252.db2.gz WJKSSYDCHQFZFF-CYBMUJFWSA-N 0 0 310.413 3.262 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)CC(C)(C)CC(=O)OC ZINC000119199825 621627591 /nfs/dbraw/zinc/62/75/91/621627591.db2.gz JDGNASBKKXXXKC-UHFFFAOYSA-N 0 0 321.417 3.110 20 10 DGCDRN COc1ccc(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000756342164 621629194 /nfs/dbraw/zinc/62/91/94/621629194.db2.gz ODJFXEGQCZUINM-GFCCVEGCSA-N 0 0 316.357 3.202 20 10 DGCDRN C[C@@H]([NH2+]CC(C)(C)N1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756343524 621629469 /nfs/dbraw/zinc/62/94/69/621629469.db2.gz OXUYWHDUAGVOCM-CYBMUJFWSA-N 0 0 321.421 3.216 20 10 DGCDRN C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1cc(F)cc(F)c1[O-] ZINC000756364015 621631606 /nfs/dbraw/zinc/63/16/06/621631606.db2.gz RMDALXRUWLUHKF-SNVBAGLBSA-N 0 0 321.323 3.292 20 10 DGCDRN C[C@@H]([NH2+]CCN(C)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756379929 621632901 /nfs/dbraw/zinc/63/29/01/621632901.db2.gz DMVIXLYWWDZYPG-GFCCVEGCSA-N 0 0 306.356 3.457 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1cc(F)cc(F)c1[O-] ZINC000756382914 621633363 /nfs/dbraw/zinc/63/33/63/621633363.db2.gz GTARAGMUOIZKLS-RFAUZJTJSA-N 0 0 311.303 3.194 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1cc(F)cc(F)c1[O-] ZINC000756382913 621633560 /nfs/dbraw/zinc/63/35/60/621633560.db2.gz GTARAGMUOIZKLS-PSLIRLAXSA-N 0 0 311.303 3.194 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@H]2CCC[C@@]2(C)C(=O)[O-])cc1F ZINC000756390271 621634739 /nfs/dbraw/zinc/63/47/39/621634739.db2.gz TZPAZKZSFXQVBE-FUHWJXTLSA-N 0 0 322.424 3.405 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@H]2CCC[C@]2(C)C(=O)[O-])cc1 ZINC000756390776 621634838 /nfs/dbraw/zinc/63/48/38/621634838.db2.gz VVCWHUXXCAYVFN-WMZOPIPTSA-N 0 0 304.434 3.266 20 10 DGCDRN O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21)C1=CC(=O)CS1 ZINC000863049528 621635288 /nfs/dbraw/zinc/63/52/88/621635288.db2.gz JGDPDGINUSIAGY-DDTOSNHZSA-N 0 0 305.786 3.175 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(Cl)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756432579 621638123 /nfs/dbraw/zinc/63/81/23/621638123.db2.gz JERUXNAZJQDIBP-VIFPVBQESA-N 0 0 307.737 3.200 20 10 DGCDRN C[C@@H]([NH2+]CCOc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756463804 621640088 /nfs/dbraw/zinc/64/00/88/621640088.db2.gz DJVCZBDLQJQTGT-LLVKDONJSA-N 0 0 320.320 3.169 20 10 DGCDRN C[C@@H]([NH2+]CCN1CCc2ccccc21)c1ccc(F)cc1[O-] ZINC000756484331 621641134 /nfs/dbraw/zinc/64/11/34/621641134.db2.gz TZWPYFPAAZLRNS-CYBMUJFWSA-N 0 0 300.377 3.245 20 10 DGCDRN C[C@@H]([NH2+]CCN1Cc2ccccc2C1)c1ccc(F)cc1[O-] ZINC000756481331 621641145 /nfs/dbraw/zinc/64/11/45/621641145.db2.gz WWCJZRQUCUKTEM-CYBMUJFWSA-N 0 0 300.377 3.198 20 10 DGCDRN C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756488225 621641568 /nfs/dbraw/zinc/64/15/68/621641568.db2.gz MAVWFVFMIUOPOY-SFYZADRCSA-N 0 0 313.266 3.288 20 10 DGCDRN CC(=O)C1(C(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)CC1 ZINC000863159669 621643772 /nfs/dbraw/zinc/64/37/72/621643772.db2.gz BBBFKGXZCCJXKJ-UHFFFAOYSA-N 0 0 324.424 3.388 20 10 DGCDRN Cc1cc(CNC(=O)[C@@H]2CC2(F)F)c(C)n1-c1ccccc1 ZINC000863163392 621644286 /nfs/dbraw/zinc/64/42/86/621644286.db2.gz AQAPZHJXAVRFDB-HNNXBMFYSA-N 0 0 304.340 3.366 20 10 DGCDRN Cc1cc(CNC(=O)[C@H]2CCO[C@H]2C)c(C)n1-c1ccccc1 ZINC000863165738 621644768 /nfs/dbraw/zinc/64/47/68/621644768.db2.gz MLSGPVJVYBPAKV-YJBOKZPZSA-N 0 0 312.413 3.135 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2Cc3ccccc32)c1 ZINC000756535844 621645911 /nfs/dbraw/zinc/64/59/11/621645911.db2.gz RUDPWPCKIPNHIK-IUODEOHRSA-N 0 0 311.381 3.169 20 10 DGCDRN C[C@H]([NH2+]CCc1ccc(F)cc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756576764 621650562 /nfs/dbraw/zinc/65/05/62/621650562.db2.gz OIQAPGODJLCFJT-JTQLQIEISA-N 0 0 322.311 3.472 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C)c2c(C)noc2C)c1 ZINC000756576262 621650633 /nfs/dbraw/zinc/65/06/33/621650633.db2.gz ZBFCJGRSNYNDEM-NXEZZACHSA-N 0 0 318.373 3.195 20 10 DGCDRN CCCC(O)(CCC)C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756591421 621651702 /nfs/dbraw/zinc/65/17/02/621651702.db2.gz GKPLLZLRQXJSQR-ZDUSSCGKSA-N 0 0 323.433 3.161 20 10 DGCDRN CC(C)Cn1ccnc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756596380 621651822 /nfs/dbraw/zinc/65/18/22/621651822.db2.gz CIWDXCRXMXZLGB-GFCCVEGCSA-N 0 0 318.377 3.004 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756605671 621652173 /nfs/dbraw/zinc/65/21/73/621652173.db2.gz ULBZUUQNYVEZAD-OCCSQVGLSA-N 0 0 321.367 3.487 20 10 DGCDRN C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756605837 621652384 /nfs/dbraw/zinc/65/23/84/621652384.db2.gz VAHKIWAANGZFDE-BDJLRTHQSA-N 0 0 307.340 3.445 20 10 DGCDRN C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756613916 621652745 /nfs/dbraw/zinc/65/27/45/621652745.db2.gz RSKDWKNPVDKZID-XOPPTJLZSA-N 0 0 320.389 3.155 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCC(F)(F)F)c1 ZINC000756624055 621653114 /nfs/dbraw/zinc/65/31/14/621653114.db2.gz DELXTESGZAAEER-SECBINFHSA-N 0 0 305.296 3.172 20 10 DGCDRN CC[C@@H]([NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-])C1CCOCC1 ZINC000756628515 621654220 /nfs/dbraw/zinc/65/42/20/621654220.db2.gz NKSOGWOSFKRRDD-MLGOLLRUSA-N 0 0 321.417 3.035 20 10 DGCDRN COC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756637815 621654620 /nfs/dbraw/zinc/65/46/20/621654620.db2.gz PJSSTSIKPQTGRW-XJKSGUPXSA-N 0 0 303.377 3.440 20 10 DGCDRN Cc1ccc(NC(=O)CN(C)c2ccc3c(c2)OCO3)cc1C ZINC000756655483 621656718 /nfs/dbraw/zinc/65/67/18/621656718.db2.gz WSGSNHQKEAFTNF-UHFFFAOYSA-N 0 0 312.369 3.107 20 10 DGCDRN CN(CCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000756654863 621656723 /nfs/dbraw/zinc/65/67/23/621656723.db2.gz ZGEUWQSYLGTYJS-UHFFFAOYSA-N 0 0 300.314 3.002 20 10 DGCDRN COc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756710190 621659563 /nfs/dbraw/zinc/65/95/63/621659563.db2.gz BUXUAQJUSYWULX-ZUZCIYMTSA-N 0 0 323.339 3.063 20 10 DGCDRN CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756736363 621661931 /nfs/dbraw/zinc/66/19/31/621661931.db2.gz MZBOTCYMNMUVDP-DCGLDWPTSA-N 0 0 322.405 3.402 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCC(F)(F)C2)c1 ZINC000756764353 621662633 /nfs/dbraw/zinc/66/26/33/621662633.db2.gz HATXSAUPVMBEHE-CMPLNLGQSA-N 0 0 313.344 3.407 20 10 DGCDRN Cc1cccc([C@H](O)C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756762747 621662745 /nfs/dbraw/zinc/66/27/45/621662745.db2.gz RAHWXZPBWGQJSC-BDJLRTHQSA-N 0 0 307.340 3.363 20 10 DGCDRN COc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(C)c1 ZINC000756761880 621662949 /nfs/dbraw/zinc/66/29/49/621662949.db2.gz UZFJPSCMVNBQSP-GFCCVEGCSA-N 0 0 316.357 3.468 20 10 DGCDRN CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1(C)C ZINC000756788832 621664879 /nfs/dbraw/zinc/66/48/79/621664879.db2.gz DBHIUPVRDSPCRE-ZMRCNFHJSA-N 0 0 308.378 3.011 20 10 DGCDRN C[C@@H]([NH2+][C@H](C)C(C)(C)O)c1cc(Br)cc(F)c1[O-] ZINC000756817364 621666743 /nfs/dbraw/zinc/66/67/43/621666743.db2.gz FJYRRJKDZFFNBB-HTQZYQBOSA-N 0 0 320.202 3.104 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC3CCC2CC3)c1 ZINC000756845345 621668093 /nfs/dbraw/zinc/66/80/93/621668093.db2.gz UBNCTLCQNSGEFS-PIISCBOPSA-N 0 0 303.402 3.408 20 10 DGCDRN CC[C@@H]1CC[C@H](C(=O)N(C)Cc2ccc(N(CC)CC)cc2)O1 ZINC000756906773 621672001 /nfs/dbraw/zinc/67/20/01/621672001.db2.gz ASJAYFGGDVLABB-QZTJIDSGSA-N 0 0 318.461 3.449 20 10 DGCDRN CCc1csc(N2CCCN(c3ccc(OC)cc3)CC2)n1 ZINC000756961049 621675905 /nfs/dbraw/zinc/67/59/05/621675905.db2.gz FMSNDOIBIDMFDC-UHFFFAOYSA-N 0 0 317.458 3.431 20 10 DGCDRN Cc1cc(C[NH+]2[C@H](C)CC(C(=O)[O-])C[C@H]2C)ccc1N(C)C ZINC000863476395 621676459 /nfs/dbraw/zinc/67/64/59/621676459.db2.gz COEWTUNMBQDZDN-ZIAGYGMSSA-N 0 0 304.434 3.135 20 10 DGCDRN CCN(C)c1ccc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)cc1 ZINC000863475145 621676558 /nfs/dbraw/zinc/67/65/58/621676558.db2.gz IOFDCINZYWSQNN-SQNIBIBYSA-N 0 0 316.445 3.218 20 10 DGCDRN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)NCc1ccccc1O ZINC000757101127 621686242 /nfs/dbraw/zinc/68/62/42/621686242.db2.gz MZOCFQDIPPXHOI-UHFFFAOYSA-N 0 0 321.380 3.329 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCc3c(F)cccc3C2)c1O ZINC000757148682 621690585 /nfs/dbraw/zinc/69/05/85/621690585.db2.gz DPYXDSLAVBTESX-UHFFFAOYSA-N 0 0 317.335 3.431 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2nc(C)cs2)c1 ZINC000103503268 621697441 /nfs/dbraw/zinc/69/74/41/621697441.db2.gz PQWDBKOMRJUKKK-SECBINFHSA-N 0 0 307.375 3.048 20 10 DGCDRN COc1cncc(CN2CCCc3cc(OC)cc(OC)c32)c1 ZINC000839656078 621704450 /nfs/dbraw/zinc/70/44/50/621704450.db2.gz GBWKZLSGBOLVIY-UHFFFAOYSA-N 0 0 314.385 3.060 20 10 DGCDRN Cc1cc(NC(=O)NCc2c(O)ccc3c2CCCC3)ccn1 ZINC000119605637 621705724 /nfs/dbraw/zinc/70/57/24/621705724.db2.gz IIZOKAJXPNNDAT-UHFFFAOYSA-N 0 0 311.385 3.296 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1F ZINC000863739237 621705899 /nfs/dbraw/zinc/70/58/99/621705899.db2.gz JMFIKRRARSGYCG-HIFRSBDPSA-N 0 0 322.424 3.215 20 10 DGCDRN C/C=C/C[C@@H]1CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000863820395 621711185 /nfs/dbraw/zinc/71/11/85/621711185.db2.gz YEMFOPBBBSQJIW-RCTBACHLSA-N 0 0 301.386 3.316 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@H]1c1cccc(O)c1 ZINC000839682808 621711729 /nfs/dbraw/zinc/71/17/29/621711729.db2.gz IXHQMOVUAFBTRO-RBUKOAKNSA-N 0 0 324.424 3.187 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)c1 ZINC000839683672 621712208 /nfs/dbraw/zinc/71/22/08/621712208.db2.gz IQITYTRUKKNAGW-APWZRJJASA-N 0 0 311.381 3.211 20 10 DGCDRN COc1ccc(CNC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)c(O)c1 ZINC000839748583 621719746 /nfs/dbraw/zinc/71/97/46/621719746.db2.gz UGJZZXWBMNTAKU-APWZRJJASA-N 0 0 311.381 3.211 20 10 DGCDRN C[C@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000757629700 621729830 /nfs/dbraw/zinc/72/98/30/621729830.db2.gz FSKGFSNVQRZTEW-HZMBPMFUSA-N 0 0 308.378 3.297 20 10 DGCDRN [O-]c1c(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)ccc(F)c1F ZINC000864049345 621731624 /nfs/dbraw/zinc/73/16/24/621731624.db2.gz FVZKLUZQGVXPEB-DOMZBBRYSA-N 0 0 311.372 3.452 20 10 DGCDRN CC1([NH+]2CCCC2)CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000864050383 621732371 /nfs/dbraw/zinc/73/23/71/621732371.db2.gz FPSCHOXTGUNKTE-UHFFFAOYSA-N 0 0 310.388 3.121 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000757666392 621732425 /nfs/dbraw/zinc/73/24/25/621732425.db2.gz SOWPLMMIBLGXDD-DOMZBBRYSA-N 0 0 321.367 3.315 20 10 DGCDRN COC(=O)c1ccc(CN(C)c2ccc(OC)c(F)c2)cc1 ZINC000757851583 621742964 /nfs/dbraw/zinc/74/29/64/621742964.db2.gz AWPDQOODOVCKPA-UHFFFAOYSA-N 0 0 303.333 3.257 20 10 DGCDRN COc1ccc(N(C)Cc2ccc3c(c2)OCCO3)cc1F ZINC000757852230 621743020 /nfs/dbraw/zinc/74/30/20/621743020.db2.gz IGQPNEGUMSVPBE-UHFFFAOYSA-N 0 0 303.333 3.242 20 10 DGCDRN COc1ccc(N(C)CC(=O)N[C@@H]2CCCC[C@H]2C)cc1Cl ZINC000757857471 621743403 /nfs/dbraw/zinc/74/34/03/621743403.db2.gz URDFHTGTPSQPBL-IUODEOHRSA-N 0 0 324.852 3.480 20 10 DGCDRN O=C(C1=CC(=O)CS1)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000757910456 621746198 /nfs/dbraw/zinc/74/61/98/621746198.db2.gz UYPQQBOXOCVPFJ-HNNXBMFYSA-N 0 0 317.410 3.275 20 10 DGCDRN CCOc1ccc(C[NH2+]CCC2CCC(OC)CC2)c(O)c1 ZINC000757983596 621751004 /nfs/dbraw/zinc/75/10/04/621751004.db2.gz AMWYLLXQAJDSCI-UHFFFAOYSA-N 0 0 307.434 3.476 20 10 DGCDRN CCC(C)(C)[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)C(=O)[O-] ZINC000864517850 621776977 /nfs/dbraw/zinc/77/69/77/621776977.db2.gz ZOOHJGXMCBFHPA-CQSZACIVSA-N 0 0 314.376 3.010 20 10 DGCDRN CCOc1ccc(CNCc2nnc(C(C)(C)C)s2)c(O)c1 ZINC000758497959 621785359 /nfs/dbraw/zinc/78/53/59/621785359.db2.gz VCZMQWFHWDXJPT-UHFFFAOYSA-N 0 0 321.446 3.230 20 10 DGCDRN Cc1cc(C)c(C(=O)COC(=O)c2cccc(O)c2O)c(C)c1 ZINC000758558871 621789024 /nfs/dbraw/zinc/78/90/24/621789024.db2.gz NWIKMYMJNHADQJ-UHFFFAOYSA-N 0 0 314.337 3.063 20 10 DGCDRN Cc1noc(C)c1NC(=O)NCCCSc1nccs1 ZINC000758587773 621790483 /nfs/dbraw/zinc/79/04/83/621790483.db2.gz REZVISACVZBISV-UHFFFAOYSA-N 0 0 312.420 3.052 20 10 DGCDRN COc1cc(F)c(NC(=O)NCc2ccccc2O)cc1F ZINC000758629162 621792878 /nfs/dbraw/zinc/79/28/78/621792878.db2.gz YMHNBADUUBOXBX-UHFFFAOYSA-N 0 0 308.284 3.001 20 10 DGCDRN O=Cc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)s1 ZINC000864862362 621823536 /nfs/dbraw/zinc/82/35/36/621823536.db2.gz JZCJWDJCGWHQDN-UHFFFAOYSA-N 0 0 314.410 3.091 20 10 DGCDRN CN1C(=O)/C(=C\c2ccc(F)c3cccnc23)SC1=S ZINC000759116217 621826325 /nfs/dbraw/zinc/82/63/25/621826325.db2.gz GJEYZZBLVUBWBK-YRNVUSSQSA-N 0 0 304.371 3.205 20 10 DGCDRN COc1ccc(C=O)cc1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000864929494 621831869 /nfs/dbraw/zinc/83/18/69/621831869.db2.gz OECLFWQCZQNMPH-UHFFFAOYSA-N 0 0 324.380 3.360 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cnn(C(F)F)c2)cc1 ZINC000864927616 621831972 /nfs/dbraw/zinc/83/19/72/621831972.db2.gz WXDNXKXREGDNDX-UHFFFAOYSA-N 0 0 322.359 3.054 20 10 DGCDRN Cc1conc1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000864949350 621835273 /nfs/dbraw/zinc/83/52/73/621835273.db2.gz JBISOEWCHYKKQM-UHFFFAOYSA-N 0 0 301.390 3.100 20 10 DGCDRN COc1ccc(-n2c(C)cc(C(=O)NOCC(F)F)c2C)cc1 ZINC000759337844 621847114 /nfs/dbraw/zinc/84/71/14/621847114.db2.gz LYSGNKQEJUEMPP-UHFFFAOYSA-N 0 0 324.327 3.029 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c[nH]nc1C(C)C ZINC000865027522 621848038 /nfs/dbraw/zinc/84/80/38/621848038.db2.gz TWWJCSUTFZGDFR-UHFFFAOYSA-N 0 0 314.433 3.261 20 10 DGCDRN CN(Cc1ccoc1)C(=O)NCCCSc1nccs1 ZINC000759601957 621874822 /nfs/dbraw/zinc/87/48/22/621874822.db2.gz RDJGVXNFZOMJLA-UHFFFAOYSA-N 0 0 311.432 3.060 20 10 DGCDRN O=C(/C=C/c1ccc(Cl)nc1)N1CCc2cccc(F)c21 ZINC000759619186 621876191 /nfs/dbraw/zinc/87/61/91/621876191.db2.gz XLUQNZWFCGTUQV-FNORWQNLSA-N 0 0 302.736 3.477 20 10 DGCDRN COCCC(C)(C)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000759623570 621877019 /nfs/dbraw/zinc/87/70/19/621877019.db2.gz WUQGZKKTANNDSL-UHFFFAOYSA-N 0 0 318.461 3.356 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)c2nnc(C)o2)cc1 ZINC000759630853 621877724 /nfs/dbraw/zinc/87/77/24/621877724.db2.gz CUULVEYDIGVIFI-ZDUSSCGKSA-N 0 0 324.384 3.277 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)NC2CC=CC2)cc1 ZINC000759786903 621890193 /nfs/dbraw/zinc/89/01/93/621890193.db2.gz LXGKUIPZLILNBR-UHFFFAOYSA-N 0 0 301.434 3.393 20 10 DGCDRN CN(C)c1cc(F)c(CNc2nnc(C(C)(C)C)o2)cc1F ZINC000865289364 621890390 /nfs/dbraw/zinc/89/03/90/621890390.db2.gz HMIMJYGZRFMEPT-UHFFFAOYSA-N 0 0 310.348 3.323 20 10 DGCDRN CCOc1ccc(CNc2nc(C3(C)CC3)ns2)c(O)c1 ZINC000865293756 621891603 /nfs/dbraw/zinc/89/16/03/621891603.db2.gz VKMVCCASQJNNBH-UHFFFAOYSA-N 0 0 305.403 3.306 20 10 DGCDRN CN(C)c1ccc(CNc2nnc([C@@H]3CCCO3)s2)cc1F ZINC000865295701 621892217 /nfs/dbraw/zinc/89/22/17/621892217.db2.gz KPVFKHGGMHMIES-ZDUSSCGKSA-N 0 0 322.409 3.207 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCC[C@@H](C)CO)cc1 ZINC000759888284 621900363 /nfs/dbraw/zinc/90/03/63/621900363.db2.gz BGSSMCKCQAEQAZ-CQSZACIVSA-N 0 0 314.429 3.233 20 10 DGCDRN O=C([C@H]1CC12CCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000760124799 621916151 /nfs/dbraw/zinc/91/61/51/621916151.db2.gz MAMXTNQPRZUWRZ-JKSUJKDBSA-N 0 0 315.413 3.090 20 10 DGCDRN C[C@@H]1CN(C(=O)C2=CC(=O)CS2)C[C@H](c2ccsc2)O1 ZINC000760140190 621917169 /nfs/dbraw/zinc/91/71/69/621917169.db2.gz GGHBFDNQLMQQDL-BXKDBHETSA-N 0 0 309.412 3.117 20 10 DGCDRN Cc1cc(/C=C2/SC(N3CCCCC3)=NC2=O)cnc1Cl ZINC000760211202 621921584 /nfs/dbraw/zinc/92/15/84/621921584.db2.gz NMXIAUMYWVQUEK-XYOKQWHBSA-N 0 0 321.833 3.500 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2ccc[nH]2)cc1 ZINC000760308819 621930221 /nfs/dbraw/zinc/93/02/21/621930221.db2.gz WNJROKPZXFJKQF-AWEZNQCLSA-N 0 0 314.433 3.421 20 10 DGCDRN CCO[C@@H](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)C ZINC000760319340 621931323 /nfs/dbraw/zinc/93/13/23/621931323.db2.gz JCZPJUYGDPNHMA-KRWDZBQOSA-N 0 0 306.450 3.162 20 10 DGCDRN CC1(CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000760476167 621943426 /nfs/dbraw/zinc/94/34/26/621943426.db2.gz OYBQRJYSNGKUCY-OAHLLOKOSA-N 0 0 303.402 3.090 20 10 DGCDRN COc1nc(C)cc(NCc2ccc(N3CCCCC3)cc2)n1 ZINC000760503835 621945680 /nfs/dbraw/zinc/94/56/80/621945680.db2.gz RMTNZJGVKARURF-UHFFFAOYSA-N 0 0 312.417 3.396 20 10 DGCDRN CCO[C@@H](CC(=O)NCCCSc1nccs1)C(C)C ZINC000760586050 621952437 /nfs/dbraw/zinc/95/24/37/621952437.db2.gz SJYNGVPQSQUGCW-LBPRGKRZSA-N 0 0 316.492 3.193 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCC[C@@H]2CCCCO2)c1 ZINC000760905148 621973599 /nfs/dbraw/zinc/97/35/99/621973599.db2.gz JLDBPUYBUZAUDC-HIFRSBDPSA-N 0 0 321.417 3.179 20 10 DGCDRN CC[C@@H](CC(F)(F)F)NC(=O)N(C)Cc1ccccc1O ZINC000761035451 621980803 /nfs/dbraw/zinc/98/08/03/621980803.db2.gz HLZGGEQGTDEBHD-NSHDSACASA-N 0 0 304.312 3.265 20 10 DGCDRN Oc1c(Br)cccc1CNc1cnn2c1CCCC2 ZINC000865709308 621981122 /nfs/dbraw/zinc/98/11/22/621981122.db2.gz FGYBEBKSARSVQJ-UHFFFAOYSA-N 0 0 322.206 3.300 20 10 DGCDRN COCc1cc(NCc2c(O)cccc2OC)ccc1OC ZINC000865751581 621988531 /nfs/dbraw/zinc/98/85/31/621988531.db2.gz QVSJAWGMPSEZBM-UHFFFAOYSA-N 0 0 303.358 3.168 20 10 DGCDRN COc1cc2c(cc1NCc1cn(C)nn1)oc1ccccc12 ZINC000761206173 621994222 /nfs/dbraw/zinc/99/42/22/621994222.db2.gz OWOKHZRBMNPRCQ-UHFFFAOYSA-N 0 0 308.341 3.335 20 10 DGCDRN COc1ccc(N(C)Cc2cnn(C(C)(C)C)c2)cc1OC ZINC000761220420 621995119 /nfs/dbraw/zinc/99/51/19/621995119.db2.gz CKBYURUTGGGLLX-UHFFFAOYSA-N 0 0 303.406 3.292 20 10 DGCDRN COc1ccc(N(C)Cc2nc3c(s2)CCC3)cc1OC ZINC000761219778 621995377 /nfs/dbraw/zinc/99/53/77/621995377.db2.gz CITBQRGOEJZXSE-UHFFFAOYSA-N 0 0 304.415 3.285 20 10 DGCDRN OCc1ccc(CN2CCCc3cc(OC(F)F)ccc32)o1 ZINC000761222308 621995583 /nfs/dbraw/zinc/99/55/83/621995583.db2.gz OYUZNLZUOBUDOV-UHFFFAOYSA-N 0 0 309.312 3.326 20 10 DGCDRN CSc1ccc(N(C)Cc2cc3c(cc2O)OCO3)cc1 ZINC000761222150 621995743 /nfs/dbraw/zinc/99/57/43/621995743.db2.gz IKDPJGIQSOFJRB-UHFFFAOYSA-N 0 0 303.383 3.479 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(C)(C)[C@H]1CCCCO1 ZINC000865903764 622018326 /nfs/dbraw/zinc/01/83/26/622018326.db2.gz GLQCAWPSZORCCV-QGZVFWFLSA-N 0 0 318.461 3.273 20 10 DGCDRN CC[C@H]1C(=O)N([C@@H](C)c2ccc(N(C)C)cc2)C(=O)N1C1CC1 ZINC000761576168 622018453 /nfs/dbraw/zinc/01/84/53/622018453.db2.gz ASKWYIIUQCXKMA-LRDDRELGSA-N 0 0 315.417 3.019 20 10 DGCDRN COC(=O)c1cc(C[N@H+](C)Cc2cc(C)cc(C)c2O)oc1C ZINC000120830796 622025057 /nfs/dbraw/zinc/02/50/57/622025057.db2.gz OWBXZYUVXAWOHG-UHFFFAOYSA-N 0 0 317.385 3.329 20 10 DGCDRN CC(C)c1noc(-c2ccnc(N3Cc4cccc(O)c4C3)c2)n1 ZINC000866118074 622048572 /nfs/dbraw/zinc/04/85/72/622048572.db2.gz WFDQVIBWOUIBSO-UHFFFAOYSA-N 0 0 322.368 3.481 20 10 DGCDRN Cc1cccc(OCCNC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000866161783 622056981 /nfs/dbraw/zinc/05/69/81/622056981.db2.gz WTKKAVNTCFAEMF-AWEZNQCLSA-N 0 0 314.385 3.140 20 10 DGCDRN Cc1cnc(-c2noc(-c3ccc(-n4cccc4)cc3)n2)nc1 ZINC000762218096 622063635 /nfs/dbraw/zinc/06/36/35/622063635.db2.gz HVQKLUJRHKISKG-UHFFFAOYSA-N 0 0 303.325 3.293 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)c1sccc1C1CC1 ZINC000762261366 622066658 /nfs/dbraw/zinc/06/66/58/622066658.db2.gz KEVVHDIRPHLWBB-UHFFFAOYSA-N 0 0 303.383 3.009 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)c1c[nH]cc1-c1ccccc1 ZINC000762267784 622067112 /nfs/dbraw/zinc/06/71/12/622067112.db2.gz RDMJZJWMNNLYOG-UHFFFAOYSA-N 0 0 322.364 3.065 20 10 DGCDRN C[C@@H](C(=O)NCCc1ccc(O)c(O)c1)c1cccc(Cl)c1 ZINC000762267394 622067191 /nfs/dbraw/zinc/06/71/91/622067191.db2.gz JIBCDWJYLDAORG-LLVKDONJSA-N 0 0 319.788 3.214 20 10 DGCDRN CN(C)c1ccc(CN[C@@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC000866218643 622068484 /nfs/dbraw/zinc/06/84/84/622068484.db2.gz UXLIISBHLLJVOS-FUHWJXTLSA-N 0 0 300.377 3.314 20 10 DGCDRN COc1cc(C(F)(F)F)nc(N[C@@H](C)c2ccccc2O)n1 ZINC000866236869 622072995 /nfs/dbraw/zinc/07/29/95/622072995.db2.gz DIUUFEFDQSIYQM-QMMMGPOBSA-N 0 0 313.279 3.383 20 10 DGCDRN C[C@@H](Nc1ncnc2c1cnn2C(C)(C)C)c1ccccc1O ZINC000866239215 622073617 /nfs/dbraw/zinc/07/36/17/622073617.db2.gz SSKIVBOBMPEFSA-LLVKDONJSA-N 0 0 311.389 3.460 20 10 DGCDRN Cc1cc2c(ncnc2N[C@@H](C)Cc2ccc(O)c(O)c2)s1 ZINC000762800911 622099685 /nfs/dbraw/zinc/09/96/85/622099685.db2.gz YTXZVYFYDILLRA-VIFPVBQESA-N 0 0 315.398 3.454 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CC(=O)c2ccccc21 ZINC000789646669 625542532 /nfs/dbraw/zinc/54/25/32/625542532.db2.gz NGOSSZZFHGBELW-SFHVURJKSA-N 0 0 322.408 3.047 20 10 DGCDRN CCN(Cc1ccnc(OC)c1)c1ccc(OC)c(OC)c1 ZINC000762924974 622111160 /nfs/dbraw/zinc/11/11/60/622111160.db2.gz ANOLIHVMBYWDAA-UHFFFAOYSA-N 0 0 302.374 3.134 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H](C)CC1(C)OCCO1)c1ccc(F)cc1[O-] ZINC000866427307 622116752 /nfs/dbraw/zinc/11/67/52/622116752.db2.gz KAQTZHVDIZMTEK-SWLSCSKDSA-N 0 0 311.397 3.361 20 10 DGCDRN O=C(C1=CC(=O)CS1)N(CCc1ccc(F)cc1)C1CC1 ZINC000763080652 622121859 /nfs/dbraw/zinc/12/18/59/622121859.db2.gz XUNZQRXAKWUHSV-UHFFFAOYSA-N 0 0 305.374 3.440 20 10 DGCDRN C[C@H]([NH2+][C@@H](C1CCC1)[C@@H]1CCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866491476 622126648 /nfs/dbraw/zinc/12/66/48/622126648.db2.gz RWRQYOXYVRRDJA-GOPGUHFVSA-N 0 0 320.389 3.299 20 10 DGCDRN CN(C)c1ccc(CNS(=O)(=O)CC2(C)CCCCC2)cc1 ZINC000763214911 622130350 /nfs/dbraw/zinc/13/03/50/622130350.db2.gz AMDPZAHUERBPAI-UHFFFAOYSA-N 0 0 324.490 3.142 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCCc1ccccc1F ZINC000763217537 622131045 /nfs/dbraw/zinc/13/10/45/622131045.db2.gz DSBRBHGYDFIVRQ-VURMDHGXSA-N 0 0 302.301 3.036 20 10 DGCDRN C[NH+](C)[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000763613051 622155105 /nfs/dbraw/zinc/15/51/05/622155105.db2.gz JNHMNWZASQGVPY-CYBMUJFWSA-N 0 0 300.805 3.101 20 10 DGCDRN C[C@H](NC(=O)c1cccc2c1C(=O)CC2)c1ccc(N(C)C)cc1 ZINC000867504705 622169472 /nfs/dbraw/zinc/16/94/72/622169472.db2.gz YVRJNHATNNHCCO-ZDUSSCGKSA-N 0 0 322.408 3.373 20 10 DGCDRN COc1ccc(N(C)CC(=O)OCc2ccccc2)cc1F ZINC000121716449 622174791 /nfs/dbraw/zinc/17/47/91/622174791.db2.gz VEWVGRDIZBXQFS-UHFFFAOYSA-N 0 0 303.333 3.014 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2ccc3nc(C)ccc3c2)c1 ZINC000121774071 622180639 /nfs/dbraw/zinc/18/06/39/622180639.db2.gz YRSZQBIAAMKUPC-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN COc1cccc(CNC(=O)c2ccc3nc(C)ccc3c2)c1O ZINC000121772329 622180776 /nfs/dbraw/zinc/18/07/76/622180776.db2.gz RZOHEWNUFOVLQW-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN CCOC(=O)[C@@H](CC)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000764141319 622181939 /nfs/dbraw/zinc/18/19/39/622181939.db2.gz YRZZAZILOQGHNW-GOSISDBHSA-N 0 0 318.461 3.450 20 10 DGCDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCc1cccc(Br)c1O ZINC000867830518 622186742 /nfs/dbraw/zinc/18/67/42/622186742.db2.gz BBYNYTVLHRSFMD-NUGNTBJXSA-N 0 0 324.218 3.063 20 10 DGCDRN C[C@@H](NS(=O)(=O)c1ccc(C2CC2)cc1)c1ccccc1O ZINC000867835418 622187525 /nfs/dbraw/zinc/18/75/25/622187525.db2.gz ZSQPQJPEVONHJF-GFCCVEGCSA-N 0 0 317.410 3.309 20 10 DGCDRN Cc1ccc(CS(=O)(=O)N[C@@H](C)c2ccccc2O)cc1F ZINC000867834525 622187546 /nfs/dbraw/zinc/18/75/46/622187546.db2.gz PMAUKZFYAKQLMC-LBPRGKRZSA-N 0 0 323.389 3.020 20 10 DGCDRN O=C(C1=CCCC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000764397473 622191590 /nfs/dbraw/zinc/19/15/90/622191590.db2.gz WRCGZUMCOZSNIK-MRXNPFEDSA-N 0 0 301.386 3.010 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](C2CC2)C1 ZINC000764407637 622192115 /nfs/dbraw/zinc/19/21/15/622192115.db2.gz OWNKLHDNTVPTSQ-INIZCTEOSA-N 0 0 301.434 3.003 20 10 DGCDRN CCN1C(=O)/C(=C\c2cnn(-c3ccccc3)c2)SC1=S ZINC000016881001 622200070 /nfs/dbraw/zinc/20/00/70/622200070.db2.gz MEENHJVAEMSFKM-MDWZMJQESA-N 0 0 315.423 3.093 20 10 DGCDRN CCCOc1ccc(NC(=O)Cc2ccc(N)cc2)cc1OC ZINC000867988104 622200820 /nfs/dbraw/zinc/20/08/20/622200820.db2.gz UFEHKCHOQPJBCG-UHFFFAOYSA-N 0 0 314.385 3.247 20 10 DGCDRN COc1ccc(N(C)CC(=O)N(C(C)C)C(C)C)cc1Cl ZINC000121964611 622206175 /nfs/dbraw/zinc/20/61/75/622206175.db2.gz HORLJGDRUBJCPH-UHFFFAOYSA-N 0 0 312.841 3.430 20 10 DGCDRN Nc1ccc(CC(=O)N[C@@H](Cc2cccnc2)C2CCCC2)cc1 ZINC000868026193 622206349 /nfs/dbraw/zinc/20/63/49/622206349.db2.gz HFNZNFPMBQTNNG-IBGZPJMESA-N 0 0 323.440 3.124 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cc(CO)c(C)o1 ZINC000868110341 622215312 /nfs/dbraw/zinc/21/53/12/622215312.db2.gz ZSZDMFKKUUWQIN-UHFFFAOYSA-N 0 0 317.385 3.228 20 10 DGCDRN Cc1nc(C)c(CCNC(=O)N[C@H](C)c2ccccc2O)s1 ZINC000868229498 622227100 /nfs/dbraw/zinc/22/71/00/622227100.db2.gz SVTYOBMKFOQSAU-SNVBAGLBSA-N 0 0 319.430 3.068 20 10 DGCDRN C[C@@H](NC(=O)NCC1Cc2ccccc2C1)c1ccccc1O ZINC000868271835 622230027 /nfs/dbraw/zinc/23/00/27/622230027.db2.gz YAMNISNJGJCKTF-CYBMUJFWSA-N 0 0 310.397 3.167 20 10 DGCDRN Cc1nc(CNC(=O)N[C@H](C)c2ccccc2O)sc1C ZINC000868323841 622234737 /nfs/dbraw/zinc/23/47/37/622234737.db2.gz CZSRRQAAVRKSHH-SNVBAGLBSA-N 0 0 305.403 3.026 20 10 DGCDRN C[C@@H](NC(=O)NCc1nc(C2CC2)cs1)c1ccccc1O ZINC000868412931 622241839 /nfs/dbraw/zinc/24/18/39/622241839.db2.gz MCULUWYOOZWMOB-SNVBAGLBSA-N 0 0 317.414 3.287 20 10 DGCDRN CCc1cnccc1[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868475927 622247701 /nfs/dbraw/zinc/24/77/01/622247701.db2.gz OPQLBAWZHKAMES-OLZOCXBDSA-N 0 0 313.401 3.471 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1CC(C)(C)OC1(C)C)c1ccccc1O ZINC000868483619 622248456 /nfs/dbraw/zinc/24/84/56/622248456.db2.gz ZIJIXZMTYLGBCH-FZMZJTMJSA-N 0 0 306.406 3.099 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H](C)c1cncc(F)c1)c1ccccc1O ZINC000868490042 622249571 /nfs/dbraw/zinc/24/95/71/622249571.db2.gz MTRVAQALQBWYHA-WDEREUQCSA-N 0 0 303.337 3.048 20 10 DGCDRN C[C@@H](NC(=O)N[C@H]1CCCC12CCOCC2)c1ccccc1O ZINC000868582809 622260431 /nfs/dbraw/zinc/26/04/31/622260431.db2.gz MVNFUTMXXHJUOO-CJNGLKHVSA-N 0 0 318.417 3.102 20 10 DGCDRN Cc1cccc(CCCNC(=O)N[C@@H](C)c2ccccc2O)n1 ZINC000868598251 622262748 /nfs/dbraw/zinc/26/27/48/622262748.db2.gz DKTLZBQBBIMJQI-AWEZNQCLSA-N 0 0 313.401 3.089 20 10 DGCDRN CC(C)[C@@H]1C[C@H](CNC(=O)N[C@H](C)c2ccccc2O)CCO1 ZINC000868671720 622271327 /nfs/dbraw/zinc/27/13/27/622271327.db2.gz CMIOCPSQIUXEAU-CPUCHLNUSA-N 0 0 320.433 3.204 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccccc1F)c1ccccc1O ZINC000868696146 622274163 /nfs/dbraw/zinc/27/41/63/622274163.db2.gz LGWNYUOIALYTHR-HZUKXOBISA-N 0 0 314.360 3.448 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1C[C@@]1(F)c1ccccc1)c1ccccc1O ZINC000868725809 622277880 /nfs/dbraw/zinc/27/78/80/622277880.db2.gz PHNSGVLNJHYQML-XHBKTUGNSA-N 0 0 314.360 3.390 20 10 DGCDRN Cc1cc(C)cc(CN(C)C(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000765637031 622278960 /nfs/dbraw/zinc/27/89/60/622278960.db2.gz PHUJPKGJPHBICZ-FNORWQNLSA-N 0 0 311.381 3.386 20 10 DGCDRN C[C@@H](NC(=O)N[C@H]1C[C@@H](OC(C)(C)C)C1)c1ccccc1O ZINC000868736838 622279134 /nfs/dbraw/zinc/27/91/34/622279134.db2.gz NSGHGJPOYNORGZ-UPJWGTAASA-N 0 0 306.406 3.099 20 10 DGCDRN CCc1cnc(CN2CCOc3cc(N(C)C)ccc32)s1 ZINC000765659148 622280260 /nfs/dbraw/zinc/28/02/60/622280260.db2.gz WXFMFFJFIYALMJ-UHFFFAOYSA-N 0 0 303.431 3.171 20 10 DGCDRN C[C@H](NC(=O)N[C@H](C1CC1)[C@@H]1CCCCO1)c1ccccc1O ZINC000868750269 622280621 /nfs/dbraw/zinc/28/06/21/622280621.db2.gz ITHYMCUNPZZAPO-AFAVFJNCSA-N 0 0 318.417 3.100 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H](C1CC1)[C@H]1CCCCO1)c1ccccc1O ZINC000868750273 622280654 /nfs/dbraw/zinc/28/06/54/622280654.db2.gz ITHYMCUNPZZAPO-JLZZUVOBSA-N 0 0 318.417 3.100 20 10 DGCDRN C[C@@H](c1ccsc1)N1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000765865935 622292347 /nfs/dbraw/zinc/29/23/47/622292347.db2.gz OHKYGEJZJYQXLL-NSHDSACASA-N 0 0 322.455 3.034 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Nc1nc(-c2ccccc2)no1 ZINC000765959119 622296620 /nfs/dbraw/zinc/29/66/20/622296620.db2.gz OMFOMVDYTORLAK-UHFFFAOYSA-N 0 0 324.340 3.106 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCCC[C@@H]2F)cc1 ZINC000868915861 622298353 /nfs/dbraw/zinc/29/83/53/622298353.db2.gz FOPMWYQPQWHSIE-JKSUJKDBSA-N 0 0 307.413 3.175 20 10 DGCDRN COc1ccc(CNC(=O)N[C@H](C)[C@@]23C[C@@H]2CCCC3)c(O)c1 ZINC000868939411 622302142 /nfs/dbraw/zinc/30/21/42/622302142.db2.gz SSCOSAYBDDYOEV-UVBSCNOISA-N 0 0 318.417 3.169 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCC[C@H]2CCCS2)c1 ZINC000868977315 622305567 /nfs/dbraw/zinc/30/55/67/622305567.db2.gz ORPBVRSUZWNUHV-WCQYABFASA-N 0 0 324.446 3.047 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCC[C@H]2CCCS2)c1 ZINC000868977314 622305925 /nfs/dbraw/zinc/30/59/25/622305925.db2.gz ORPBVRSUZWNUHV-DGCLKSJQSA-N 0 0 324.446 3.047 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCCCC2CC2)c1 ZINC000869055565 622314234 /nfs/dbraw/zinc/31/42/34/622314234.db2.gz TXECQQDJLQZIGW-LBPRGKRZSA-N 0 0 306.406 3.341 20 10 DGCDRN COc1ccc2c(c1)CCCCN2Cc1ccc(C(N)=O)cc1 ZINC000766268930 622316086 /nfs/dbraw/zinc/31/60/86/622316086.db2.gz HRYPPXGSMULDPA-UHFFFAOYSA-N 0 0 310.397 3.137 20 10 DGCDRN CCCc1noc(CN2CCCCc3cc(OC)ccc32)n1 ZINC000766270578 622316121 /nfs/dbraw/zinc/31/61/21/622316121.db2.gz JSFZDDKISLVIIS-UHFFFAOYSA-N 0 0 301.390 3.374 20 10 DGCDRN CCC(C)(C)NC(=O)CN1CCCCc2cc(OC)ccc21 ZINC000766269363 622316384 /nfs/dbraw/zinc/31/63/84/622316384.db2.gz IXRPQCDUOAFAJC-UHFFFAOYSA-N 0 0 304.434 3.143 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cn1nc(C)sc1=S ZINC000766342644 622323298 /nfs/dbraw/zinc/32/32/98/622323298.db2.gz YLVIECCJJHAIHH-UHFFFAOYSA-N 0 0 307.444 3.401 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCOC[C@H]2C)cc1 ZINC000766372912 622325352 /nfs/dbraw/zinc/32/53/52/622325352.db2.gz HBKKRISNXXUWAP-CRAIPNDOSA-N 0 0 318.461 3.164 20 10 DGCDRN C[C@H](CC(F)(F)F)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000766658397 622345104 /nfs/dbraw/zinc/34/51/04/622345104.db2.gz ZYDNSSXHVDAAFE-SECBINFHSA-N 0 0 321.318 3.032 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2c(F)ccc(C)c2F)c1 ZINC000767087172 622374305 /nfs/dbraw/zinc/37/43/05/622374305.db2.gz HVRDSTPZURHNKZ-SNVBAGLBSA-N 0 0 321.323 3.478 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000789758330 625562189 /nfs/dbraw/zinc/56/21/89/625562189.db2.gz SJCVAHZHEJYFQS-UHFFFAOYSA-N 0 0 313.800 3.217 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CCCC23CCC3)c([N+](=O)[O-])c1 ZINC000767443555 622399401 /nfs/dbraw/zinc/39/94/01/622399401.db2.gz XMWGPZBFWSUMPJ-ALCCZGGFSA-N 0 0 316.357 3.304 20 10 DGCDRN Cc1cnc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000122839885 622415661 /nfs/dbraw/zinc/41/56/61/622415661.db2.gz AKVBTZXUSLLNIN-CQSZACIVSA-N 0 0 317.458 3.139 20 10 DGCDRN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1cscn1 ZINC000768099065 622438344 /nfs/dbraw/zinc/43/83/44/622438344.db2.gz WBHJMZQVYZHAHM-UONOGXRCSA-N 0 0 317.458 3.392 20 10 DGCDRN Oc1cccc(Cl)c1CN1CCN(Cc2cccs2)CC1 ZINC000768197623 622445058 /nfs/dbraw/zinc/44/50/58/622445058.db2.gz LCLUVYGJSMWZGQ-UHFFFAOYSA-N 0 0 322.861 3.425 20 10 DGCDRN CC(C)O[C@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2O)C1(C)C ZINC000768450542 622457614 /nfs/dbraw/zinc/45/76/14/622457614.db2.gz QXOQYONEFQXIFX-CVEARBPZSA-N 0 0 320.433 3.126 20 10 DGCDRN CC[C@H]1Cc2ccccc2CN1C(=O)c1ccc(C)c(O)c1O ZINC000768612859 622467454 /nfs/dbraw/zinc/46/74/54/622467454.db2.gz XAJKABQTKBWBDL-HNNXBMFYSA-N 0 0 311.381 3.383 20 10 DGCDRN CC[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(C)c(O)c1O ZINC000768612862 622467464 /nfs/dbraw/zinc/46/74/64/622467464.db2.gz XAJKABQTKBWBDL-OAHLLOKOSA-N 0 0 311.381 3.383 20 10 DGCDRN CSc1ccccc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000018214935 622474087 /nfs/dbraw/zinc/47/40/87/622474087.db2.gz ZSUDMOYIIHAHGB-UHFFFAOYSA-N 0 0 300.427 3.405 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCC(C)(C)C2)c1 ZINC000768765683 622475562 /nfs/dbraw/zinc/47/55/62/622475562.db2.gz FTOXGGKOBUSMGO-VXGBXAGGSA-N 0 0 306.406 3.340 20 10 DGCDRN CCc1ccccc1CCOC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000768774876 622476394 /nfs/dbraw/zinc/47/63/94/622476394.db2.gz NOOMKAOYBBYKLF-CSKARUKUSA-N 0 0 312.365 3.459 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)/C=C\c2ccsc2)c1 ZINC000768911750 622484692 /nfs/dbraw/zinc/48/46/92/622484692.db2.gz SYNWVLIXSKJXEZ-UUSYTGMJSA-N 0 0 303.383 3.353 20 10 DGCDRN CCOC(=O)CN(CC)Cc1cc(-c2ccccc2)ccc1O ZINC000769004470 622491264 /nfs/dbraw/zinc/49/12/64/622491264.db2.gz IHOCMAMAHPTJFQ-UHFFFAOYSA-N 0 0 313.397 3.444 20 10 DGCDRN O=C(/C=C/c1ccc2ccccc2n1)NCc1ccccc1O ZINC000769363169 622520733 /nfs/dbraw/zinc/52/07/33/622520733.db2.gz PHOOHEDCNPFETH-VAWYXSNFSA-N 0 0 304.349 3.270 20 10 DGCDRN COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H]1CC=CCC1 ZINC000769381121 622522894 /nfs/dbraw/zinc/52/28/94/622522894.db2.gz LDEUYNWKPVERER-ZDUSSCGKSA-N 0 0 323.820 3.377 20 10 DGCDRN COC(=O)[C@@H](c1ccccc1)N(C)Cc1cc(Cl)ccc1O ZINC000769425744 622526916 /nfs/dbraw/zinc/52/69/16/622526916.db2.gz XEOBNLVCJIUXKM-MRXNPFEDSA-N 0 0 319.788 3.392 20 10 DGCDRN CC(C)c1noc2ncc(C(=O)N3Cc4cccc(O)c4C3)cc21 ZINC000871198029 622565718 /nfs/dbraw/zinc/56/57/18/622565718.db2.gz DUYRHDNQKZABKB-UHFFFAOYSA-N 0 0 323.352 3.208 20 10 DGCDRN O=C([C@H]1C[C@]12CCc1ccccc12)N1Cc2cccc(O)c2C1 ZINC000871202386 622566468 /nfs/dbraw/zinc/56/64/68/622566468.db2.gz GFQAHPADPZZEBQ-XLIONFOSSA-N 0 0 305.377 3.139 20 10 DGCDRN O=C([C@@H]1SCCc2ccccc21)N1Cc2cccc(O)c2C1 ZINC000871203270 622567064 /nfs/dbraw/zinc/56/70/64/622567064.db2.gz VWHPOAPNNDCGQU-QGZVFWFLSA-N 0 0 311.406 3.265 20 10 DGCDRN CC(C)(C)OC(=O)CCCCC(=O)N1Cc2cccc(O)c2C1 ZINC000871205636 622568095 /nfs/dbraw/zinc/56/80/95/622568095.db2.gz IVTJOVCFSYONHX-UHFFFAOYSA-N 0 0 319.401 3.137 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1nccs1 ZINC000770105043 622602047 /nfs/dbraw/zinc/60/20/47/622602047.db2.gz OTYLZBNCRAWRPN-UHFFFAOYSA-N 0 0 315.442 3.406 20 10 DGCDRN CCC1(CC)[C@@H](NC(=O)N(C)Cc2ccccc2O)C[C@@H]1OC ZINC000123733844 622665127 /nfs/dbraw/zinc/66/51/27/622665127.db2.gz DMMBXMOJXWXWKO-HOTGVXAUSA-N 0 0 320.433 3.127 20 10 DGCDRN Cn1c2cc(COc3ccc(N4CCCC4)cc3)ccc2oc1=O ZINC000871736386 622686160 /nfs/dbraw/zinc/68/61/60/622686160.db2.gz JCHOVEBXSUHWDV-UHFFFAOYSA-N 0 0 324.380 3.311 20 10 DGCDRN O=C(C1=CC(=O)CS1)N(Cc1ccco1)Cc1ccco1 ZINC000770955041 622695193 /nfs/dbraw/zinc/69/51/93/622695193.db2.gz JYNFVYOPLSBJFE-UHFFFAOYSA-N 0 0 303.339 3.482 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCC1(C2CC2)CC1 ZINC000123820825 622715424 /nfs/dbraw/zinc/71/54/24/622715424.db2.gz DZQFDWSVMQRNAE-UHFFFAOYSA-N 0 0 301.434 3.050 20 10 DGCDRN Cc1c(CNC(=O)c2c(F)ccc(O)c2O)oc2ccccc12 ZINC000789978680 625590039 /nfs/dbraw/zinc/59/00/39/625590039.db2.gz NPICLAJXPYFLKN-UHFFFAOYSA-N 0 0 315.300 3.222 20 10 DGCDRN CN(C)c1ccc(CNC(=O)/C=C/c2ccc(Cl)nc2)cc1 ZINC000123864704 622733782 /nfs/dbraw/zinc/73/37/82/622733782.db2.gz NLABGIXMGBFCNE-UXBLZVDNSA-N 0 0 315.804 3.131 20 10 DGCDRN COc1ccc(NC(=O)C2=CC(=O)CS2)c2ncccc12 ZINC000771745601 622792963 /nfs/dbraw/zinc/79/29/63/622792963.db2.gz XNCUZBMEUYOPEQ-UHFFFAOYSA-N 0 0 300.339 3.263 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)C3(F)CCCC3)CC2)cc1 ZINC000771931936 622818359 /nfs/dbraw/zinc/81/83/59/622818359.db2.gz KNZHSPMAOXHJSD-UHFFFAOYSA-N 0 0 320.408 3.016 20 10 DGCDRN COc1ccc2c(c1)CCCN2C(=O)/C=C/c1cncc(C)c1 ZINC000772029514 622837223 /nfs/dbraw/zinc/83/72/23/622837223.db2.gz MAGCGDBACOVUKF-VMPITWQZSA-N 0 0 308.381 3.391 20 10 DGCDRN Nc1ccc(Cc2noc(C3([C@H]4CCCCO4)CCC3)n2)cc1 ZINC000872171246 622849574 /nfs/dbraw/zinc/84/95/74/622849574.db2.gz QAXHBISFQRKBJT-OAHLLOKOSA-N 0 0 313.401 3.233 20 10 DGCDRN Cc1cncc(/C=C/C(=O)N2CCOc3ccc(Cl)cc32)c1 ZINC000772152444 622856611 /nfs/dbraw/zinc/85/66/11/622856611.db2.gz QXDFRSRBSDAWRP-GORDUTHDSA-N 0 0 314.772 3.482 20 10 DGCDRN C[C@H](Nc1ccc(C(=O)NC2CC2)cn1)c1ccc(N(C)C)cc1 ZINC000772300322 622881371 /nfs/dbraw/zinc/88/13/71/622881371.db2.gz ZUIDRESTZWCGBD-ZDUSSCGKSA-N 0 0 324.428 3.213 20 10 DGCDRN CC(C)c1cc(N[C@@H](C)c2ccc(N(C)C)cc2)n2ncnc2n1 ZINC000772299170 622881932 /nfs/dbraw/zinc/88/19/32/622881932.db2.gz BYPSAWNIMQEYKU-ZDUSSCGKSA-N 0 0 324.432 3.487 20 10 DGCDRN CCc1nc(C(=O)NCc2ccc(N3CCCCC3)cc2)co1 ZINC000772509295 622905400 /nfs/dbraw/zinc/90/54/00/622905400.db2.gz BEEOBRHFODYCNI-UHFFFAOYSA-N 0 0 313.401 3.157 20 10 DGCDRN COc1ccc(N2CCC(Nc3ncnc(F)c3C)CC2)cc1 ZINC000872439921 622915003 /nfs/dbraw/zinc/91/50/03/622915003.db2.gz SUZOTOYZJLMUDN-UHFFFAOYSA-N 0 0 316.380 3.014 20 10 DGCDRN Cc1ccccc1OCCOC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000772777651 622938300 /nfs/dbraw/zinc/93/83/00/622938300.db2.gz WUVGOPTURPLCHU-VQHVLOKHSA-N 0 0 314.337 3.042 20 10 DGCDRN CO[C@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000772992772 622962384 /nfs/dbraw/zinc/96/23/84/622962384.db2.gz AOTKCCPVLZAKKV-KSSFIOAISA-N 0 0 312.413 3.318 20 10 DGCDRN C[C@H](NC(=O)COc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000772995650 622962919 /nfs/dbraw/zinc/96/29/19/622962919.db2.gz QJDSMOMUROBSJF-ZDUSSCGKSA-N 0 0 316.376 3.148 20 10 DGCDRN COCc1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000772998260 622963401 /nfs/dbraw/zinc/96/34/01/622963401.db2.gz XGLQDKFHMHDHID-CQSZACIVSA-N 0 0 312.413 3.390 20 10 DGCDRN CC(C)n1nccc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773000918 622964160 /nfs/dbraw/zinc/96/41/60/622964160.db2.gz QRBNBGNTODNSKM-CYBMUJFWSA-N 0 0 300.406 3.021 20 10 DGCDRN C[C@H](NC(=O)[C@@H]1CC1(Cl)Cl)c1ccc(N(C)C)cc1 ZINC000773008891 622964799 /nfs/dbraw/zinc/96/47/99/622964799.db2.gz HYTOZXRMKCYDGS-CABZTGNLSA-N 0 0 301.217 3.124 20 10 DGCDRN C[C@H](NC(=O)c1cc(-c2ccoc2)n[nH]1)c1ccc(N(C)C)cc1 ZINC000773007785 622964807 /nfs/dbraw/zinc/96/48/07/622964807.db2.gz KECWPZJLIJKIDO-LBPRGKRZSA-N 0 0 324.384 3.227 20 10 DGCDRN Cc1nc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)s1 ZINC000773008096 622965009 /nfs/dbraw/zinc/96/50/09/622965009.db2.gz CEHKRVNUBQQKMF-JTQLQIEISA-N 0 0 303.431 3.317 20 10 DGCDRN C[C@H](NC(=O)c1ccc(Cl)cn1)c1ccc(N(C)C)cc1 ZINC000773013337 622967230 /nfs/dbraw/zinc/96/72/30/622967230.db2.gz DHWZKPPDSPEIHQ-NSHDSACASA-N 0 0 303.793 3.292 20 10 DGCDRN C[C@@H](NC(=O)Cc1c[nH]c2ncccc12)c1ccc(N(C)C)cc1 ZINC000773012329 622967342 /nfs/dbraw/zinc/96/73/42/622967342.db2.gz BDRCRPCIMJLBGY-CYBMUJFWSA-N 0 0 322.412 3.049 20 10 DGCDRN C[C@H](NC(=O)c1ccc(NC2CC2)nc1)c1ccc(N(C)C)cc1 ZINC000773017605 622968164 /nfs/dbraw/zinc/96/81/64/622968164.db2.gz HOUFNBFHFLUOES-ZDUSSCGKSA-N 0 0 324.428 3.213 20 10 DGCDRN COc1ccccc1CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773016010 622968242 /nfs/dbraw/zinc/96/82/42/622968242.db2.gz SDJMWUYZPUVZFI-AWEZNQCLSA-N 0 0 312.413 3.181 20 10 DGCDRN C[C@H](NC(=O)CCCc1ccccn1)c1ccc(N(C)C)cc1 ZINC000773016718 622968264 /nfs/dbraw/zinc/96/82/64/622968264.db2.gz ATRQLBMCFUGKMD-HNNXBMFYSA-N 0 0 311.429 3.348 20 10 DGCDRN Cc1c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cnn1C(C)C ZINC000773017808 622968275 /nfs/dbraw/zinc/96/82/75/622968275.db2.gz FXZSYHTVRQODDC-CYBMUJFWSA-N 0 0 314.433 3.329 20 10 DGCDRN CC[C@@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000773017143 622968343 /nfs/dbraw/zinc/96/83/43/622968343.db2.gz UJHMQONJNASWMZ-YSVLISHTSA-N 0 0 304.434 3.135 20 10 DGCDRN CC(C)CCO[C@@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773017651 622968404 /nfs/dbraw/zinc/96/84/04/622968404.db2.gz IBSKEBQBNRUDDP-CABCVRRESA-N 0 0 306.450 3.381 20 10 DGCDRN Cc1cccc(OCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773018675 622968839 /nfs/dbraw/zinc/96/88/39/622968839.db2.gz WPESMYLLXPHPEG-OAHLLOKOSA-N 0 0 312.413 3.317 20 10 DGCDRN CC(C)c1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)no1 ZINC000773020650 622969048 /nfs/dbraw/zinc/96/90/48/622969048.db2.gz PXRXMBNLLIAIEK-GFCCVEGCSA-N 0 0 301.390 3.355 20 10 DGCDRN COCC(C)(C)CCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000872976356 623009477 /nfs/dbraw/zinc/00/94/77/623009477.db2.gz CEXXIJCRLHWYQJ-CQSZACIVSA-N 0 0 321.465 3.176 20 10 DGCDRN Cc1nnc(CN(Cc2ccccc2O)C2CCCC2)s1 ZINC000773426960 623025793 /nfs/dbraw/zinc/02/57/93/623025793.db2.gz OJOMIXMLFPTXAY-UHFFFAOYSA-N 0 0 303.431 3.497 20 10 DGCDRN CC[C@H](NCc1ccc(OC)c(Cn2cccn2)c1)C(F)F ZINC000873129562 623043272 /nfs/dbraw/zinc/04/32/72/623043272.db2.gz RHMLDDXGFADVJG-AWEZNQCLSA-N 0 0 309.360 3.073 20 10 DGCDRN CCCOc1ccc(CN[C@H]2C[C@H](C)n3ncnc32)cc1C ZINC000873135536 623045655 /nfs/dbraw/zinc/04/56/55/623045655.db2.gz YKJBRCQSFHVJQH-ZFWWWQNUSA-N 0 0 300.406 3.171 20 10 DGCDRN COC1(C)CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000773611961 623050627 /nfs/dbraw/zinc/05/06/27/623050627.db2.gz BJPAWGUDLAJMKL-CQSZACIVSA-N 0 0 319.449 3.024 20 10 DGCDRN C[C@H](NC(=O)NCC1CCSCC1)c1ccc(N(C)C)cc1 ZINC000773611714 623051020 /nfs/dbraw/zinc/05/10/20/623051020.db2.gz JONNBSFSDHHOEU-ZDUSSCGKSA-N 0 0 321.490 3.256 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1CCCSC1)c1ccc(N(C)C)cc1 ZINC000773627571 623053468 /nfs/dbraw/zinc/05/34/68/623053468.db2.gz OZPGDCYQLYBPJD-TZMCWYRMSA-N 0 0 307.463 3.008 20 10 DGCDRN CCOC1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000773631828 623054144 /nfs/dbraw/zinc/05/41/44/623054144.db2.gz YKGAFXVFUMFWKU-CQSZACIVSA-N 0 0 319.449 3.024 20 10 DGCDRN CCN(C)c1ccc(CN[C@H](CO)c2c(F)cccc2F)cc1 ZINC000773829334 623075906 /nfs/dbraw/zinc/07/59/06/623075906.db2.gz BFPDISWPJZSDTH-QGZVFWFLSA-N 0 0 320.383 3.244 20 10 DGCDRN C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000773991382 623097409 /nfs/dbraw/zinc/09/74/09/623097409.db2.gz ALUJYXJMPRELQC-LBPRGKRZSA-N 0 0 313.357 3.152 20 10 DGCDRN CC[C@@H](OC(=O)c1cc(C)n(-c2ccccn2)c1C)C(C)=O ZINC000873343273 623115849 /nfs/dbraw/zinc/11/58/49/623115849.db2.gz OYUDCQUAWUZZAM-OAHLLOKOSA-N 0 0 300.358 3.014 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)c2ccn(C)n2)cc1 ZINC000774180891 623116904 /nfs/dbraw/zinc/11/69/04/623116904.db2.gz CWKKGAKLFCKJPC-UHFFFAOYSA-N 0 0 308.385 3.104 20 10 DGCDRN CCOC(=O)c1ccc(CN(C)c2ccc(OC)c(OC)c2)o1 ZINC000774579789 623162350 /nfs/dbraw/zinc/16/23/50/623162350.db2.gz HVTMHZNHEJJFRS-UHFFFAOYSA-N 0 0 319.357 3.110 20 10 DGCDRN CCC(=CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)CC ZINC000124610484 623205659 /nfs/dbraw/zinc/20/56/59/623205659.db2.gz JRBQVFATCVYLPK-OAHLLOKOSA-N 0 0 316.445 3.447 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000775014825 623216593 /nfs/dbraw/zinc/21/65/93/623216593.db2.gz QHWLAWUHTXYGAH-MBNYWOFBSA-N 0 0 320.389 3.367 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000775028250 623218147 /nfs/dbraw/zinc/21/81/47/623218147.db2.gz OPZYWSMLCIWXSH-PJXYFTJBSA-N 0 0 308.378 3.223 20 10 DGCDRN COc1c(O)c(CNc2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000775037796 623218929 /nfs/dbraw/zinc/21/89/29/623218929.db2.gz CKXDIVHYDAYKJM-UHFFFAOYSA-N 0 0 310.256 3.199 20 10 DGCDRN COc1c(O)c(CN2CCc3ccc(C)cc32)ccc1[N+](=O)[O-] ZINC000775057682 623222734 /nfs/dbraw/zinc/22/27/34/623222734.db2.gz PFIFAJLAVVPUNS-UHFFFAOYSA-N 0 0 314.341 3.180 20 10 DGCDRN C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000873961982 623224286 /nfs/dbraw/zinc/22/42/86/623224286.db2.gz JJJRIKHTPWRXPC-SMDDNHRTSA-N 0 0 302.378 3.500 20 10 DGCDRN C[C@H](OC(=O)c1cccc(O)c1O)c1nccn1-c1ccccc1 ZINC000805532905 623231437 /nfs/dbraw/zinc/23/14/37/623231437.db2.gz UWQUHECZEWRSAP-LBPRGKRZSA-N 0 0 324.336 3.202 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@H]2CCC[C@H](C)CC2)ccc1[N+](=O)[O-] ZINC000775106814 623232262 /nfs/dbraw/zinc/23/22/62/623232262.db2.gz KHWKKYZRDXMAEG-AAEUAGOBSA-N 0 0 308.378 3.367 20 10 DGCDRN Cn1ccnc1[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000775190235 623240032 /nfs/dbraw/zinc/24/00/32/623240032.db2.gz OIBOWUHREBIUSD-LBPRGKRZSA-N 0 0 305.809 3.159 20 10 DGCDRN C[C@H](NC/C(Cl)=C\Cl)c1ccc(N2CCOCC2)cc1 ZINC000775255052 623246899 /nfs/dbraw/zinc/24/68/99/623246899.db2.gz NTGJQJOIHITBJK-LQELWAHVSA-N 0 0 315.244 3.493 20 10 DGCDRN CC(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775404570 623269542 /nfs/dbraw/zinc/26/95/42/623269542.db2.gz OBFPPIIHDBXDFW-ZDUSSCGKSA-N 0 0 310.397 3.446 20 10 DGCDRN C[C@H](NC(=O)/C=C\c1cncc(F)c1)c1ccc(N(C)C)cc1 ZINC000775402763 623269659 /nfs/dbraw/zinc/26/96/59/623269659.db2.gz CJCJEEPRZJMHRF-PRUHKGEBSA-N 0 0 313.376 3.177 20 10 DGCDRN C[C@@H](NC(=O)c1cc(F)ccc1O)c1ccc(N(C)C)cc1 ZINC000775411032 623271123 /nfs/dbraw/zinc/27/11/23/623271123.db2.gz NQTAMRWADBWTHH-LLVKDONJSA-N 0 0 302.349 3.088 20 10 DGCDRN COc1cccc(CNc2cc(Br)ccn2)c1O ZINC000775464001 623277771 /nfs/dbraw/zinc/27/77/71/623277771.db2.gz FBRUULKEFMVBPZ-UHFFFAOYSA-N 0 0 309.163 3.170 20 10 DGCDRN CC[C@H]([NH2+]CCCC(=O)NC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775496294 623280791 /nfs/dbraw/zinc/28/07/91/623280791.db2.gz FSFNWAZBWCDSPJ-NSHDSACASA-N 0 0 319.232 3.266 20 10 DGCDRN CC[C@H]([NH2+][C@H](C)C(=O)N(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000775527610 623285041 /nfs/dbraw/zinc/28/50/41/623285041.db2.gz RTDBAAXGDQWLRQ-KCJUWKMLSA-N 0 0 319.232 3.216 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2(OC)CCCCC2)c1 ZINC000775563991 623289953 /nfs/dbraw/zinc/28/99/53/623289953.db2.gz XJSRPQUUPJQFPC-CYBMUJFWSA-N 0 0 321.417 3.179 20 10 DGCDRN CCc1cc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)no1 ZINC000775636898 623300298 /nfs/dbraw/zinc/30/02/98/623300298.db2.gz XVSRXMCGEPLYGZ-NSHDSACASA-N 0 0 302.378 3.186 20 10 DGCDRN CC(C)n1cc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000775649234 623303958 /nfs/dbraw/zinc/30/39/58/623303958.db2.gz IYPUHERZMBBAIF-CYBMUJFWSA-N 0 0 315.421 3.413 20 10 DGCDRN C[C@H](NC(=O)Nc1ccc(F)nc1)c1ccc(N(C)C)cc1 ZINC000775680772 623312041 /nfs/dbraw/zinc/31/20/41/623312041.db2.gz GGTVYIAWPDPUQS-NSHDSACASA-N 0 0 302.353 3.169 20 10 DGCDRN CCc1onc(C)c1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775688907 623314462 /nfs/dbraw/zinc/31/44/62/623314462.db2.gz SFLULNJQVJLXBJ-LLVKDONJSA-N 0 0 316.405 3.494 20 10 DGCDRN CC[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])[C@@H](CC)CN1C(C)=O ZINC000775720272 623318580 /nfs/dbraw/zinc/31/85/80/623318580.db2.gz KPMKHXMBXUQURR-GJZGRUSLSA-N 0 0 324.852 3.267 20 10 DGCDRN CCN(C(=O)/C=C/c1cnc(OC)nc1)c1cccc(Cl)c1 ZINC000775782095 623331553 /nfs/dbraw/zinc/33/15/53/623331553.db2.gz AXMHZWDFLXROOG-BQYQJAHWSA-N 0 0 317.776 3.205 20 10 DGCDRN CCN(C(=O)/C=C\c1cnc(OC)nc1)c1cc(C)ccc1C ZINC000775807670 623334964 /nfs/dbraw/zinc/33/49/64/623334964.db2.gz UYKOJTZGFRHFFG-HJWRWDBZSA-N 0 0 311.385 3.168 20 10 DGCDRN CCN(C(=O)/C=C/c1cnc(OC)nc1)c1cccc(C)c1C ZINC000775817606 623336258 /nfs/dbraw/zinc/33/62/58/623336258.db2.gz GPCAPJHAQALWQR-MDZDMXLPSA-N 0 0 311.385 3.168 20 10 DGCDRN COc1ncc(/C=C/C(=O)N2CCCc3c(C)cc(C)cc32)cn1 ZINC000775826593 623337403 /nfs/dbraw/zinc/33/74/03/623337403.db2.gz DPEBSMYWTSCJBT-VOTSOKGWSA-N 0 0 323.396 3.095 20 10 DGCDRN C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000775987672 623361319 /nfs/dbraw/zinc/36/13/19/623361319.db2.gz VZQRUYNTGBPJGI-UWVGGRQHSA-N 0 0 303.233 3.223 20 10 DGCDRN COc1cc(C[NH2+]Cc2cccc(Cl)c2[O-])cc(OC)c1 ZINC000776022343 623365809 /nfs/dbraw/zinc/36/58/09/623365809.db2.gz BETNCLIHJZZUMF-UHFFFAOYSA-N 0 0 307.777 3.353 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2cccc3cc[nH]c32)c1 ZINC000776068547 623370950 /nfs/dbraw/zinc/37/09/50/623370950.db2.gz RIQRSSUSZPVPMN-UHFFFAOYSA-N 0 0 311.341 3.204 20 10 DGCDRN CO[C@]1(C)C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1(C)C ZINC000776220063 623398696 /nfs/dbraw/zinc/39/86/96/623398696.db2.gz JTZKJLUIMBELTR-SWLSCSKDSA-N 0 0 301.789 3.478 20 10 DGCDRN CC[C@@H]1CO[C@@H](C)CN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776250596 623401530 /nfs/dbraw/zinc/40/15/30/623401530.db2.gz WBUNSRXRRUWJPP-SQWLQELKSA-N 0 0 319.449 3.023 20 10 DGCDRN CCOc1cccc(CN[C@@H](C(=O)OC(C)(C)C)C(C)C)c1O ZINC000776256662 623402550 /nfs/dbraw/zinc/40/25/50/623402550.db2.gz FOYLFDPGIJPXAC-OAHLLOKOSA-N 0 0 323.433 3.247 20 10 DGCDRN C[C@@H]1CC[C@@H](C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000776339898 623414034 /nfs/dbraw/zinc/41/40/34/623414034.db2.gz RDCSYQVMZYITJE-GDBMZVCRSA-N 0 0 318.486 3.292 20 10 DGCDRN C[C@H]1C[C@H]1c1ccc(CNC(=O)N2Cc3cccc(O)c3C2)o1 ZINC000875117990 623418261 /nfs/dbraw/zinc/41/82/61/623418261.db2.gz PDCYXGADSQPTHF-SMDDNHRTSA-N 0 0 312.369 3.334 20 10 DGCDRN CCOc1ccccc1CNC(=O)N1Cc2cccc(O)c2C1 ZINC000875136261 623420377 /nfs/dbraw/zinc/42/03/77/623420377.db2.gz HLHZZFZGMKDGGA-UHFFFAOYSA-N 0 0 312.369 3.016 20 10 DGCDRN O=C(NCCCSc1nccs1)N[C@]12C[C@H]1CCCC2 ZINC000875375057 623443074 /nfs/dbraw/zinc/44/30/74/623443074.db2.gz VWTRDKOGKZBRMP-BXUZGUMPSA-N 0 0 311.476 3.257 20 10 DGCDRN O=C(NCCCSc1nccs1)N[C@@]12C[C@@H]1CCCC2 ZINC000875375059 623443480 /nfs/dbraw/zinc/44/34/80/623443480.db2.gz VWTRDKOGKZBRMP-FZMZJTMJSA-N 0 0 311.476 3.257 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1CCOC2(CCCC2)C1)c1ccccc1O ZINC000875392506 623445429 /nfs/dbraw/zinc/44/54/29/623445429.db2.gz BGIGKOSOWPHCRQ-UONOGXRCSA-N 0 0 318.417 3.244 20 10 DGCDRN CSCCCCCCNC(=O)N1Cc2cccc(O)c2C1 ZINC000875481764 623455098 /nfs/dbraw/zinc/45/50/98/623455098.db2.gz OJWDNDXVJBGLIQ-UHFFFAOYSA-N 0 0 308.447 3.341 20 10 DGCDRN Cc1ncsc1/C=C/C(=O)N1CCCOc2ccccc21 ZINC000776893930 623474701 /nfs/dbraw/zinc/47/47/01/623474701.db2.gz ZNUUOTMGFVAZRP-BQYQJAHWSA-N 0 0 300.383 3.280 20 10 DGCDRN C[C@@]1(CCNC(=O)N2Cc3cccc(O)c3C2)C[C@@]1(F)Cl ZINC000875693564 623481650 /nfs/dbraw/zinc/48/16/50/623481650.db2.gz ZHNUSAQPGPUTDQ-CABCVRRESA-N 0 0 312.772 3.122 20 10 DGCDRN C[C@@H](NCc1cocn1)c1ccc(N2CCOCC2)cc1Cl ZINC000777035038 623488759 /nfs/dbraw/zinc/48/87/59/623488759.db2.gz CUBSGHQBUNJFPA-GFCCVEGCSA-N 0 0 321.808 3.015 20 10 DGCDRN CC(C)(CNC(=O)N1Cc2cccc(O)c2C1)CC(F)(F)F ZINC000875756297 623489507 /nfs/dbraw/zinc/48/95/07/623489507.db2.gz AUCZZQNYQCGDMC-UHFFFAOYSA-N 0 0 316.323 3.396 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCC(F)(F)CC ZINC000875836894 623499023 /nfs/dbraw/zinc/49/90/23/623499023.db2.gz NJBDKJCIRNONEO-UHFFFAOYSA-N 0 0 300.349 3.359 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C(C)(Cl)Cl)cc1F ZINC000777392476 623520277 /nfs/dbraw/zinc/52/02/77/623520277.db2.gz NTZYWGCIAOHXJS-UHFFFAOYSA-N 0 0 321.223 3.482 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@H](F)Cc2ccccc2)cc1F ZINC000777970466 623593177 /nfs/dbraw/zinc/59/31/77/623593177.db2.gz CGYBKMCVMTZMHH-INIZCTEOSA-N 0 0 318.367 3.089 20 10 DGCDRN C/C(=C\C(=O)N1C[C@H](C)Cc2cccc(F)c21)c1cnccn1 ZINC000876417824 623605046 /nfs/dbraw/zinc/60/50/46/623605046.db2.gz QCNGNXRJNYEVNH-AUWXEVLLSA-N 0 0 311.360 3.244 20 10 DGCDRN CCCN(Cc1ccc(OC)cc1)C(=O)c1cccc(O)c1O ZINC000790522930 625663776 /nfs/dbraw/zinc/66/37/76/625663776.db2.gz LXSINFKPXIUAIE-UHFFFAOYSA-N 0 0 315.369 3.159 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)[C@H](F)Cc2ccccc2)cc1 ZINC000778228960 623628662 /nfs/dbraw/zinc/62/86/62/623628662.db2.gz VQBLRMAYZNCLKB-GOSISDBHSA-N 0 0 314.404 3.292 20 10 DGCDRN CCc1oc2ccccc2c1CC(=O)NCCc1ccc(N)cc1 ZINC000876527759 623634389 /nfs/dbraw/zinc/63/43/89/623634389.db2.gz LJYLOULHQDMHKL-UHFFFAOYSA-N 0 0 322.408 3.479 20 10 DGCDRN COc1cc(C[N@H+](C)Cc2ccc(F)c(F)c2[O-])ccc1O ZINC000876560070 623644460 /nfs/dbraw/zinc/64/44/60/623644460.db2.gz CLNVRRAXLJEACE-UHFFFAOYSA-N 0 0 309.312 3.017 20 10 DGCDRN COc1ccccc1OCC[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876613039 623660456 /nfs/dbraw/zinc/66/04/56/623660456.db2.gz GFHBJBPSXHVLQQ-UHFFFAOYSA-N 0 0 323.339 3.190 20 10 DGCDRN CN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1cccc(F)c1O ZINC000778519606 623663921 /nfs/dbraw/zinc/66/39/21/623663921.db2.gz JHRFUJRNVRYESC-AWEZNQCLSA-N 0 0 306.724 3.381 20 10 DGCDRN C[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H]1F ZINC000778620559 623677393 /nfs/dbraw/zinc/67/73/93/623677393.db2.gz NPTBARNFXOPPNU-RHSMWYFYSA-N 0 0 319.424 3.176 20 10 DGCDRN C[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H]1F ZINC000778620558 623677594 /nfs/dbraw/zinc/67/75/94/623677594.db2.gz NPTBARNFXOPPNU-PBHICJAKSA-N 0 0 319.424 3.176 20 10 DGCDRN Cc1cc(OC(C)C)ccc1NC(=O)c1cccc(O)c1O ZINC000790554165 625668616 /nfs/dbraw/zinc/66/86/16/625668616.db2.gz FZYJPLZJOWYSEQ-UHFFFAOYSA-N 0 0 301.342 3.446 20 10 DGCDRN C[N@H+](Cc1ccc(F)c(F)c1[O-])[C@@H](CCO)c1ccccc1 ZINC000876739440 623693043 /nfs/dbraw/zinc/69/30/43/623693043.db2.gz HOEXELJOHHNQRT-HNNXBMFYSA-N 0 0 307.340 3.226 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1-n1cccc1 ZINC000778920031 623711070 /nfs/dbraw/zinc/71/10/70/623711070.db2.gz UEIIIGBHZGOJLB-UHFFFAOYSA-N 0 0 322.364 3.127 20 10 DGCDRN [O-]c1c(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)ccc(F)c1F ZINC000876807429 623711399 /nfs/dbraw/zinc/71/13/99/623711399.db2.gz DHOHSNVILXEOQE-TZMCWYRMSA-N 0 0 323.339 3.352 20 10 DGCDRN Cc1ccc(CNc2cc(F)cc(N3CCOCC3)c2)c(O)c1 ZINC000876855758 623729658 /nfs/dbraw/zinc/72/96/58/623729658.db2.gz BLOSHDYXIAGTIJ-UHFFFAOYSA-N 0 0 316.376 3.288 20 10 DGCDRN OC1CCN(c2ccc(CNc3ccc4n[nH]cc4c3)cc2)CC1 ZINC000876876764 623734189 /nfs/dbraw/zinc/73/41/89/623734189.db2.gz JRYKIPTZFFTNJY-UHFFFAOYSA-N 0 0 322.412 3.136 20 10 DGCDRN CN(C)[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])c1ccc(F)cc1 ZINC000876949028 623752000 /nfs/dbraw/zinc/75/20/00/623752000.db2.gz OCDKNPCZBISNGB-OAHLLOKOSA-N 0 0 324.346 3.202 20 10 DGCDRN c1csc(SCCCNc2ccc(N3CCCC3)nn2)n1 ZINC000779430022 623769474 /nfs/dbraw/zinc/76/94/74/623769474.db2.gz LWLPXFVMHARZMI-UHFFFAOYSA-N 0 0 321.475 3.128 20 10 DGCDRN C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1c(F)cccc1F ZINC000779501069 623775070 /nfs/dbraw/zinc/77/50/70/623775070.db2.gz UCHQJCZTYVBKPD-ZEBCKKTISA-N 0 0 319.307 3.267 20 10 DGCDRN CCN(C(=O)/C=C/c1ccc(O)c(O)c1)c1cccc(OC)c1 ZINC000779501655 623775230 /nfs/dbraw/zinc/77/52/30/623775230.db2.gz WRNCYVIRPOLSIX-CSKARUKUSA-N 0 0 313.353 3.173 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(N2CCCC2)cc1 ZINC000779494768 623775280 /nfs/dbraw/zinc/77/52/80/623775280.db2.gz ZKFMQYPWXSXECC-WMZJFQQLSA-N 0 0 324.380 3.350 20 10 DGCDRN Cc1ccc([C@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)s1 ZINC000779501214 623775314 /nfs/dbraw/zinc/77/53/14/623775314.db2.gz VANIYKSBIUTLOF-BWNDKRECSA-N 0 0 303.383 3.358 20 10 DGCDRN CC(C)[C@@H]1CCC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000779511796 623776003 /nfs/dbraw/zinc/77/60/03/623776003.db2.gz LHHPXHNPPCAYBI-MMCPSDEHSA-N 0 0 303.402 3.442 20 10 DGCDRN C[C@H](CCNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000779510761 623776088 /nfs/dbraw/zinc/77/60/88/623776088.db2.gz QSWUVWLZBCFVBR-QSYFUGGGSA-N 0 0 311.381 3.421 20 10 DGCDRN C[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000779516818 623776531 /nfs/dbraw/zinc/77/65/31/623776531.db2.gz ZJVZLEMHBVUWKR-BUUCAEBMSA-N 0 0 309.365 3.336 20 10 DGCDRN CC(C)[C@@H]1CCCC[C@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779514207 623776594 /nfs/dbraw/zinc/77/65/94/623776594.db2.gz ZNIALPRYGZPPTJ-RLKNZVFVSA-N 0 0 303.402 3.442 20 10 DGCDRN Cc1cccc2c1CC[C@@H]2NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779514866 623776669 /nfs/dbraw/zinc/77/66/69/623776669.db2.gz NKVMEUVQWOQSMX-DIEDAUMRSA-N 0 0 309.365 3.223 20 10 DGCDRN C[C@@H](CN(C)C(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC000779513420 623776862 /nfs/dbraw/zinc/77/68/62/623776862.db2.gz HKPYBLGAXCQMQW-FPAJZGIOSA-N 0 0 311.381 3.373 20 10 DGCDRN Cc1ccccc1CC1CN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000779527377 623777320 /nfs/dbraw/zinc/77/73/20/623777320.db2.gz KUNYNQPOVICPCX-CLFYSBASSA-N 0 0 323.392 3.121 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cncc2ccccc21 ZINC000779543230 623778375 /nfs/dbraw/zinc/77/83/75/623778375.db2.gz VYSSQMVMDKZXRE-VURMDHGXSA-N 0 0 306.321 3.298 20 10 DGCDRN O=C(NCCCSc1nccs1)N1CC2(C1)CCCC2 ZINC000779631582 623783227 /nfs/dbraw/zinc/78/32/27/623783227.db2.gz SCIRJPJCQXJKSJ-UHFFFAOYSA-N 0 0 311.476 3.211 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@@H](O)c1cccc(F)c1 ZINC000877083746 623787532 /nfs/dbraw/zinc/78/75/32/623787532.db2.gz PEQRWFUGZWOMLJ-RFAUZJTJSA-N 0 0 311.303 3.021 20 10 DGCDRN [O-]c1c(C[NH2+]Cc2ccn(C3CCCC3)n2)ccc(F)c1F ZINC000877099386 623791334 /nfs/dbraw/zinc/79/13/34/623791334.db2.gz FJUCMESXMBZVAD-UHFFFAOYSA-N 0 0 307.344 3.272 20 10 DGCDRN C[C@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877127230 623797970 /nfs/dbraw/zinc/79/79/70/623797970.db2.gz BYHHIKSNWVXAEE-IAQYHMDHSA-N 0 0 307.340 3.272 20 10 DGCDRN Cc1cccc(O)c1CN1CCc2c(ncn2-c2ccccc2)C1 ZINC000877165209 623813338 /nfs/dbraw/zinc/81/33/38/623813338.db2.gz JRUHVKIETDPGPO-UHFFFAOYSA-N 0 0 319.408 3.445 20 10 DGCDRN COc1cc(N(C)Cc2c(C)cccc2O)cc(OC)c1OC ZINC000877180064 623819300 /nfs/dbraw/zinc/81/93/00/623819300.db2.gz OVRXZUAOKNCQIG-UHFFFAOYSA-N 0 0 317.385 3.363 20 10 DGCDRN COC(=O)c1csc(CN(C)c2ccc(OC)c(OC)c2)c1 ZINC000877343269 623855829 /nfs/dbraw/zinc/85/58/29/623855829.db2.gz XEDXBQMITGDSAB-UHFFFAOYSA-N 0 0 321.398 3.188 20 10 DGCDRN COc1cc2c(cc1NCc1c(C)cccc1O)NC(=O)CC2 ZINC000877381997 623864155 /nfs/dbraw/zinc/86/41/55/623864155.db2.gz LXSZVEPQAXJXSH-UHFFFAOYSA-N 0 0 312.369 3.206 20 10 DGCDRN CC(C)(O)c1ccc(C[NH2+]Cc2ccc(F)c(F)c2[O-])cc1 ZINC000877408365 623873461 /nfs/dbraw/zinc/87/34/61/623873461.db2.gz MAVSOXDKGWGEJI-UHFFFAOYSA-N 0 0 307.340 3.188 20 10 DGCDRN [O-]c1c(C[NH2+][C@H]2CCc3cc(O)ccc3C2)ccc(F)c1F ZINC000877479558 623901842 /nfs/dbraw/zinc/90/18/42/623901842.db2.gz DWVNLPGNWGLZDV-ZDUSSCGKSA-N 0 0 305.324 3.023 20 10 DGCDRN COc1ccc(O)c([C@H](C)[NH2+]Cc2ccnn2CC2CCC2)c1 ZINC000877533042 623928994 /nfs/dbraw/zinc/92/89/94/623928994.db2.gz KBCZQQMCIOSFSN-ZDUSSCGKSA-N 0 0 315.417 3.248 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CCC(OC)CC1 ZINC000780496111 623938849 /nfs/dbraw/zinc/93/88/49/623938849.db2.gz HEGZWUKFXKQCDA-UHFFFAOYSA-N 0 0 318.461 3.306 20 10 DGCDRN Cc1cnc(C(=O)NCCCSc2nccs2)c(C)c1 ZINC000780509988 623941227 /nfs/dbraw/zinc/94/12/27/623941227.db2.gz DRVFJSYXCVVIJM-UHFFFAOYSA-N 0 0 307.444 3.067 20 10 DGCDRN [O-]c1c(C[NH2+]C[C@H]2CCN2C2CCCCC2)ccc(F)c1F ZINC000877650992 623977372 /nfs/dbraw/zinc/97/73/72/623977372.db2.gz QNBXVGKNMCQISE-CQSZACIVSA-N 0 0 310.388 3.167 20 10 DGCDRN Cc1ccc(CN2CCc3nc(C(C)(C)C)ncc3C2)c(O)c1 ZINC000877650746 623977608 /nfs/dbraw/zinc/97/76/08/623977608.db2.gz UIVZXLHKFPIZIK-UHFFFAOYSA-N 0 0 311.429 3.346 20 10 DGCDRN CN(Cc1c(Cl)nc2ccccn21)c1ccc2c(c1)OCO2 ZINC000780778737 623982245 /nfs/dbraw/zinc/98/22/45/623982245.db2.gz QTGROLJUOYXRBA-UHFFFAOYSA-N 0 0 315.760 3.353 20 10 DGCDRN CN(C/C=C/c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000780778977 623982449 /nfs/dbraw/zinc/98/24/49/623982449.db2.gz ZXPBJTDWQMGVJK-GQCTYLIASA-N 0 0 312.325 3.473 20 10 DGCDRN CN(Cc1ncccc1C(F)(F)F)c1ccc2c(c1)OCO2 ZINC000780774275 623982474 /nfs/dbraw/zinc/98/24/74/623982474.db2.gz JZYKVEAJRPOEPK-UHFFFAOYSA-N 0 0 310.275 3.466 20 10 DGCDRN [O-]c1c(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)ccc(F)c1F ZINC000877662926 623982580 /nfs/dbraw/zinc/98/25/80/623982580.db2.gz ZXSRNVBEZYVFPW-PBHICJAKSA-N 0 0 305.324 3.290 20 10 DGCDRN CC/C(C)=C(\C)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000780859277 623990859 /nfs/dbraw/zinc/99/08/59/623990859.db2.gz YVNLXHGCPQHBQP-FOCLMDBBSA-N 0 0 316.445 3.228 20 10 DGCDRN Oc1cccc2c1CN(Cc1cnc([C@H]3CCCO3)s1)C2 ZINC000877702790 623997486 /nfs/dbraw/zinc/99/74/86/623997486.db2.gz HQMIWXALYCUIPV-OAHLLOKOSA-N 0 0 302.399 3.216 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000877711052 624000877 /nfs/dbraw/zinc/00/08/77/624000877.db2.gz VOSVWSACWJNJCJ-BDJLRTHQSA-N 0 0 313.800 3.480 20 10 DGCDRN CCOc1ccc(N(C)C(=O)c2ccc(C)c(O)c2O)cc1 ZINC000780950833 624002837 /nfs/dbraw/zinc/00/28/37/624002837.db2.gz UKEVBJFKBOMEIW-UHFFFAOYSA-N 0 0 301.342 3.082 20 10 DGCDRN CC[C@H](C)n1nc(NC(=O)c2ccc(C)c(O)c2O)cc1C ZINC000781018084 624010437 /nfs/dbraw/zinc/01/04/37/624010437.db2.gz QJZVAGGSTNVNSG-JTQLQIEISA-N 0 0 303.362 3.134 20 10 DGCDRN Cc1ccc(C(=O)N2C[C@H](C(F)(F)F)CC[C@@H]2C)c(O)c1O ZINC000781048275 624013927 /nfs/dbraw/zinc/01/39/27/624013927.db2.gz HHLIHKWVVUQLKO-VHSXEESVSA-N 0 0 317.307 3.209 20 10 DGCDRN COc1cc(O)c(CN[C@H](CF)c2ccc(F)cc2)cc1OC ZINC000877758466 624023911 /nfs/dbraw/zinc/02/39/11/624023911.db2.gz BYRKUOZDHYDAKL-CQSZACIVSA-N 0 0 323.339 3.349 20 10 DGCDRN CCC(CC)n1nccc1C(=O)N(C)Cc1ccccc1O ZINC000126711846 624028406 /nfs/dbraw/zinc/02/84/06/624028406.db2.gz QFCLEKVXTCDNOS-UHFFFAOYSA-N 0 0 301.390 3.222 20 10 DGCDRN CC(C)(O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000877835386 624063375 /nfs/dbraw/zinc/06/33/75/624063375.db2.gz QPXFMWAXNIXAHH-JTQLQIEISA-N 0 0 304.217 3.292 20 10 DGCDRN O=C1N[C@@H](c2c(O)cccc2Br)Nc2ccccc21 ZINC000877842178 624065681 /nfs/dbraw/zinc/06/56/81/624065681.db2.gz AKPPQEIRNFYMMW-ZDUSSCGKSA-N 0 0 319.158 3.009 20 10 DGCDRN COc1cccc2c1O[C@H](c1cc(Cl)c(C)cc1O)NC2=O ZINC000877841891 624065982 /nfs/dbraw/zinc/06/59/82/624065982.db2.gz BLRCPQSUFSRCSB-MRXNPFEDSA-N 0 0 319.744 3.184 20 10 DGCDRN CN1C(=O)c2ccccc2N[C@@H]1c1cc(Cl)c(F)cc1O ZINC000877845629 624066943 /nfs/dbraw/zinc/06/69/43/624066943.db2.gz WCXYEQDFDYBISA-AWEZNQCLSA-N 0 0 306.724 3.381 20 10 DGCDRN CC1(C)N[C@H](c2cccc(F)c2O)N(CC2CCCCC2)C1=O ZINC000877857006 624071427 /nfs/dbraw/zinc/07/14/27/624071427.db2.gz JYQOHAVOLBTDDM-INIZCTEOSA-N 0 0 320.408 3.321 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1cccc(Cl)c1[O-] ZINC000806148757 624073127 /nfs/dbraw/zinc/07/31/27/624073127.db2.gz YAQMGBGJDIKWKY-IDTSFGKNSA-N 0 0 322.836 3.096 20 10 DGCDRN COc1cc(Cl)cc([C@@H]2NC(=O)c3cc(C)ccc3N2)c1O ZINC000877861799 624073345 /nfs/dbraw/zinc/07/33/45/624073345.db2.gz CINWOZKZMRZBOT-HNNXBMFYSA-N 0 0 318.760 3.217 20 10 DGCDRN COc1ccc(N2CCN(C(=O)[C@@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000129587020 625696496 /nfs/dbraw/zinc/69/64/96/625696496.db2.gz PLPZOURDMXRLLM-HZPDHXFCSA-N 0 0 316.445 3.170 20 10 DGCDRN COc1ccc(O)c([C@H](C)Nc2nc(C)cc(C)c2[N+](=O)[O-])c1 ZINC000781662821 624119908 /nfs/dbraw/zinc/11/99/08/624119908.db2.gz XECLBNDSQTYRGU-NSHDSACASA-N 0 0 317.345 3.494 20 10 DGCDRN CCOc1ccc(N(CC)CC(=O)Nc2ncccc2C)cc1 ZINC000878220997 624220054 /nfs/dbraw/zinc/22/00/54/624220054.db2.gz YQNPDGRHQWMKQS-UHFFFAOYSA-N 0 0 313.401 3.254 20 10 DGCDRN CCN(C[C@H]1CCC2(CCOCC2)O1)c1ccc(OC)cc1 ZINC000878220117 624220061 /nfs/dbraw/zinc/22/00/61/624220061.db2.gz YJYILZSJZPPWOQ-QGZVFWFLSA-N 0 0 305.418 3.250 20 10 DGCDRN C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)[C@@H]2CCCC[C@H]21 ZINC000782252159 624227427 /nfs/dbraw/zinc/22/74/27/624227427.db2.gz VHVFVTJFGQMIHY-FHLIZLRMSA-N 0 0 315.461 3.473 20 10 DGCDRN CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000782543219 624261916 /nfs/dbraw/zinc/26/19/16/624261916.db2.gz FYIHHZZHPATYEW-LLVKDONJSA-N 0 0 306.284 3.367 20 10 DGCDRN C[C@@H]1CCC[C@H](CC(=O)OCC(=O)c2ccc(O)c(O)c2)C1 ZINC000783339248 624338851 /nfs/dbraw/zinc/33/88/51/624338851.db2.gz BRZYAVAQGNGZHU-NEPJUHHUSA-N 0 0 306.358 3.040 20 10 DGCDRN C[C@@H]1CCC[C@@H](CC(=O)OCC(=O)c2ccc(O)c(O)c2)C1 ZINC000783339254 624339067 /nfs/dbraw/zinc/33/90/67/624339067.db2.gz BRZYAVAQGNGZHU-VXGBXAGGSA-N 0 0 306.358 3.040 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2cccnc2)c1O ZINC000805746602 624357908 /nfs/dbraw/zinc/35/79/08/624357908.db2.gz CCMNHHIICUMWSU-QGZVFWFLSA-N 0 0 314.360 3.466 20 10 DGCDRN C[C@H](NC(=O)Nc1cnn(C(C)(C)C)c1)c1ccccc1O ZINC000878828238 624368023 /nfs/dbraw/zinc/36/80/23/624368023.db2.gz LGCPOLHTTSOCMD-NSHDSACASA-N 0 0 302.378 3.226 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](O)C1CCCCC1 ZINC000783583069 624369788 /nfs/dbraw/zinc/36/97/88/624369788.db2.gz KBZIVEMMHOULNN-SFHVURJKSA-N 0 0 318.461 3.042 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)C[C@H](C)O)c(C)n1-c1ccc(F)cc1 ZINC000783631591 624377339 /nfs/dbraw/zinc/37/73/39/624377339.db2.gz PYPLRKMJNFWPQV-YPMHNXCESA-N 0 0 318.392 3.122 20 10 DGCDRN CN(C)C1(C[N@H+](C)Cc2cc(Cl)cc(F)c2[O-])CCC1 ZINC000783744380 624390606 /nfs/dbraw/zinc/39/06/06/624390606.db2.gz SOTKWLOIZOUGAU-UHFFFAOYSA-N 0 0 300.805 3.101 20 10 DGCDRN Cc1ccncc1/C=C\C(=O)N1CCOc2ccc(Cl)cc21 ZINC000784048933 624428322 /nfs/dbraw/zinc/42/83/22/624428322.db2.gz HLYQVSXUMQVMJH-DJWKRKHSSA-N 0 0 314.772 3.482 20 10 DGCDRN C[C@@H](NC(=O)Nc1ccnn1C(C)(C)C)c1ccccc1O ZINC000879275146 624479107 /nfs/dbraw/zinc/47/91/07/624479107.db2.gz GXKGCIQCGZQFGE-LLVKDONJSA-N 0 0 302.378 3.226 20 10 DGCDRN CCCCC[C@H](CC)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784543648 624546335 /nfs/dbraw/zinc/54/63/35/624546335.db2.gz HLMPMGVAALAZJX-LBPRGKRZSA-N 0 0 308.374 3.430 20 10 DGCDRN COC(=O)COc1ccc(N(C)CCCc2ccccc2)cc1 ZINC000784561320 624547680 /nfs/dbraw/zinc/54/76/80/624547680.db2.gz QQPJFRGOLYSGHF-UHFFFAOYSA-N 0 0 313.397 3.307 20 10 DGCDRN c1cc(N2CCSCC2)ccc1CNc1nnc(C2CC2)o1 ZINC000784570042 624550189 /nfs/dbraw/zinc/55/01/89/624550189.db2.gz AEUHTBNEWKKMQJ-UHFFFAOYSA-N 0 0 316.430 3.112 20 10 DGCDRN CC(C)c1nn(C)cc1NC(=O)N[C@@H](C)c1ccccc1O ZINC000879458268 624555922 /nfs/dbraw/zinc/55/59/22/624555922.db2.gz LQVYNCHUPQVFKJ-NSHDSACASA-N 0 0 302.378 3.132 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(F)cn2)cc1F ZINC000784657340 624565571 /nfs/dbraw/zinc/56/55/71/624565571.db2.gz WKMXUGIHGRNJCP-UHFFFAOYSA-N 0 0 319.355 3.136 20 10 DGCDRN Cn1c(=O)oc2cc(NCc3cc(Cl)ccc3O)ccc21 ZINC000127916078 624619773 /nfs/dbraw/zinc/61/97/73/624619773.db2.gz LUMCOOHVXIOZAT-UHFFFAOYSA-N 0 0 304.733 3.103 20 10 DGCDRN CO[C@H](C)C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000785571869 624683448 /nfs/dbraw/zinc/68/34/48/624683448.db2.gz BWQUZEAMCFGEJS-SFYZADRCSA-N 0 0 322.630 3.494 20 10 DGCDRN CCc1ccccc1CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000785563616 624688370 /nfs/dbraw/zinc/68/83/70/624688370.db2.gz OENAWVFENNZNGU-UHFFFAOYSA-N 0 0 314.404 3.313 20 10 DGCDRN C[C@H](NC(=O)Nc1ccc2c(c1)CCOC2)c1ccccc1O ZINC000880103204 624787926 /nfs/dbraw/zinc/78/79/26/624787926.db2.gz TWZMWSOJBRTXSE-LBPRGKRZSA-N 0 0 312.369 3.348 20 10 DGCDRN C[C@H]([NH2+]CCc1ccc(F)c(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000786940155 624966309 /nfs/dbraw/zinc/96/63/09/624966309.db2.gz PURUQXWJGFHAQK-JTQLQIEISA-N 0 0 322.311 3.472 20 10 DGCDRN CCOC(CC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])OCC ZINC000786970771 624968942 /nfs/dbraw/zinc/96/89/42/624968942.db2.gz OKZGTHYBFQDERS-JTQLQIEISA-N 0 0 303.349 3.110 20 10 DGCDRN CC1(C)CO[C@H](CCC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000880539796 624974546 /nfs/dbraw/zinc/97/45/46/624974546.db2.gz HWJHIKIEVVOOOD-CYBMUJFWSA-N 0 0 311.809 3.257 20 10 DGCDRN CC(=Cc1cccc([N+](=O)[O-])c1)C=C1SC(=S)NC1=O ZINC000787166553 624984667 /nfs/dbraw/zinc/98/46/67/624984667.db2.gz ATXFFAWOTQUQJJ-XSIURBDDSA-N 0 0 306.368 3.030 20 10 DGCDRN CCc1cccc(NC(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000128549725 624993380 /nfs/dbraw/zinc/99/33/80/624993380.db2.gz UAIUDPQNKPXDGW-UHFFFAOYSA-N 0 0 300.358 3.024 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000787400640 625006517 /nfs/dbraw/zinc/00/65/17/625006517.db2.gz LTARPYVTOHJGDY-PIIMJCKOSA-N 0 0 315.461 3.473 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000787401606 625007314 /nfs/dbraw/zinc/00/73/14/625007314.db2.gz PNKPDDPISSWVRU-BJWYYQGGSA-N 0 0 301.434 3.083 20 10 DGCDRN COc1ccc(CNC(=O)NC(C2CCC2)C2CCC2)c(O)c1 ZINC000805854915 625059970 /nfs/dbraw/zinc/05/99/70/625059970.db2.gz BHVWEAGZMHNWCX-UHFFFAOYSA-N 0 0 318.417 3.169 20 10 DGCDRN COc1ccc(N2CCC(Nc3nnc(C(F)F)o3)CC2)cc1 ZINC000787896405 625070636 /nfs/dbraw/zinc/07/06/36/625070636.db2.gz IGZFSQVMZYQYCA-UHFFFAOYSA-N 0 0 324.331 3.097 20 10 DGCDRN C[C@H](NC(=O)C1=CC(=O)CS1)c1nc(C(F)(F)F)cs1 ZINC000787987200 625083658 /nfs/dbraw/zinc/08/36/58/625083658.db2.gz AGGMCJFHAMNWCP-YFKPBYRVSA-N 0 0 322.333 3.420 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccc2c(c1)CCC=C2 ZINC000788307627 625121652 /nfs/dbraw/zinc/12/16/52/625121652.db2.gz KXCQQQFKBWWYEX-UHFFFAOYSA-N 0 0 309.365 3.030 20 10 DGCDRN COc1ccc(N(C)Cc2ccc([N+](=O)[O-])c(F)c2)c(OC)c1 ZINC000788486066 625195961 /nfs/dbraw/zinc/19/59/61/625195961.db2.gz QSTAKMMJPIJUDT-UHFFFAOYSA-N 0 0 320.320 3.388 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](CC)C(F)F ZINC000881012653 625203058 /nfs/dbraw/zinc/20/30/58/625203058.db2.gz HRMQKIFCIUOCLR-GFCCVEGCSA-N 0 0 300.349 3.358 20 10 DGCDRN C[C@H]([NH2+]CC1CCOCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788586230 625221538 /nfs/dbraw/zinc/22/15/38/625221538.db2.gz ZPGJVKWKKULCBN-JTQLQIEISA-N 0 0 303.324 3.488 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](CC)[C@@H]1CCCO1 ZINC000128802505 625245954 /nfs/dbraw/zinc/24/59/54/625245954.db2.gz IFJYJRMRMWMMNW-WBVHZDCISA-N 0 0 320.433 3.271 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cccc(C(F)(F)F)c1[O-] ZINC000788764298 625261234 /nfs/dbraw/zinc/26/12/34/625261234.db2.gz LYFYOKCYXBNCON-ICCXJUOJSA-N 0 0 303.324 3.365 20 10 DGCDRN Cc1nc(CC[NH2+]Cc2c([O-])ccc(Cl)c2F)cs1 ZINC000790950245 625720080 /nfs/dbraw/zinc/72/00/80/625720080.db2.gz NQRMWPHCJLEYJS-UHFFFAOYSA-N 0 0 300.786 3.282 20 10 DGCDRN C[C@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)N1CCC[C@@H](C)C1 ZINC000790948019 625720245 /nfs/dbraw/zinc/72/02/45/625720245.db2.gz CXXROVPITFBOCN-VXGBXAGGSA-N 0 0 314.832 3.395 20 10 DGCDRN C[C@H](CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccncc1 ZINC000129676305 625723096 /nfs/dbraw/zinc/72/30/96/625723096.db2.gz HJHLENUKNFVGNA-OAHLLOKOSA-N 0 0 311.429 3.300 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1COc2ccccc2C1 ZINC000790962762 625723017 /nfs/dbraw/zinc/72/30/17/625723017.db2.gz RDLSUDNSBOXDHB-NSHDSACASA-N 0 0 307.752 3.278 20 10 DGCDRN COC[C@H](C)n1ccc(NCc2c(O)ccc(Cl)c2F)n1 ZINC000790988405 625731520 /nfs/dbraw/zinc/73/15/20/625731520.db2.gz OYDFDBLYVHDXCY-VIFPVBQESA-N 0 0 313.760 3.201 20 10 DGCDRN Cc1ccc(C(=O)NC[C@@H]2CCC3(CCCCC3)O2)c(O)c1O ZINC000791188026 625759530 /nfs/dbraw/zinc/75/95/30/625759530.db2.gz GIRKMLRVZDZXTA-ZDUSSCGKSA-N 0 0 319.401 3.018 20 10 DGCDRN O=C(NCCCc1cccc(Cl)c1)c1cccc(O)c1O ZINC000791504722 625814257 /nfs/dbraw/zinc/81/42/57/625814257.db2.gz ISTOVQUAFSMDSR-UHFFFAOYSA-N 0 0 305.761 3.114 20 10 DGCDRN CCc1ccc(/C=C2/SC(=S)N(Cc3ccon3)C2=O)o1 ZINC000130314482 625836404 /nfs/dbraw/zinc/83/64/04/625836404.db2.gz KRLCUVXORVGLEX-KPKJPENVSA-N 0 0 320.395 3.231 20 10 DGCDRN O=C1/C(=C/c2ccccc2)SC(=S)N1Cc1ccon1 ZINC000130336806 625839405 /nfs/dbraw/zinc/83/94/05/625839405.db2.gz ZLTJIQMQZNTWIB-WQLSENKSSA-N 0 0 302.380 3.076 20 10 DGCDRN COc1ccc(CC[NH2+]Cc2cc(F)cc(F)c2[O-])cc1OC ZINC000882877432 625840987 /nfs/dbraw/zinc/84/09/87/625840987.db2.gz PHWBMBHVQXYZED-UHFFFAOYSA-N 0 0 323.339 3.020 20 10 DGCDRN COCCOc1cccc(NCc2cc(F)cc(F)c2O)c1 ZINC000882908280 625854023 /nfs/dbraw/zinc/85/40/23/625854023.db2.gz LHHWQULAMGFQDO-UHFFFAOYSA-N 0 0 309.312 3.308 20 10 DGCDRN CN1CCCc2cc(C[NH2+]Cc3cc(F)cc(F)c3[O-])ccc21 ZINC000882943321 625868736 /nfs/dbraw/zinc/86/87/36/625868736.db2.gz NGNJCWFXVSOBQT-UHFFFAOYSA-N 0 0 318.367 3.343 20 10 DGCDRN COc1ccc2c(c1)OCC[C@H]2[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883018677 625898471 /nfs/dbraw/zinc/89/84/71/625898471.db2.gz LMPYUHSXKYFCKY-OAHLLOKOSA-N 0 0 321.323 3.292 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000883051198 625910910 /nfs/dbraw/zinc/91/09/10/625910910.db2.gz QQGBOIIEMKXCGZ-UHFFFAOYSA-N 0 0 307.344 3.272 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC1([C@@H](O)c2ccccc2)CC1 ZINC000883074700 625916955 /nfs/dbraw/zinc/91/69/55/625916955.db2.gz GMZAGFZVIYEIGY-KRWDZBQOSA-N 0 0 319.351 3.274 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000883076299 625917521 /nfs/dbraw/zinc/91/75/21/625917521.db2.gz ZJFLPMLJBJPHRV-DAXOMENPSA-N 0 0 309.356 3.108 20 10 DGCDRN COC(=O)COc1ccc(N(C)CC2(OC)CCCCC2)cc1 ZINC000792173380 625919418 /nfs/dbraw/zinc/91/94/18/625919418.db2.gz FBFHWXKWHYHBRD-UHFFFAOYSA-N 0 0 321.417 3.024 20 10 DGCDRN Cc1ccc(O)c(CNCc2noc(-c3ccccc3C)n2)c1 ZINC000792175424 625920812 /nfs/dbraw/zinc/92/08/12/625920812.db2.gz SNDNBGKKNXBRGP-UHFFFAOYSA-N 0 0 309.369 3.349 20 10 DGCDRN C[C@@](O)(CC[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000883093734 625925371 /nfs/dbraw/zinc/92/53/71/625925371.db2.gz FQONXOBTYJVRAF-QGZVFWFLSA-N 0 0 307.340 3.058 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)c2cccs2)c1 ZINC000131089576 625942445 /nfs/dbraw/zinc/94/24/45/625942445.db2.gz OMZQRMKXJFRMJW-WDEREUQCSA-N 0 0 305.399 3.443 20 10 DGCDRN O=C(N[C@H]1CC[C@@H](c2ccc(F)cc2)C1)c1cccc(O)c1O ZINC000792630966 625968566 /nfs/dbraw/zinc/96/85/66/625968566.db2.gz XQKZLKWZFBGWFL-OCCSQVGLSA-N 0 0 315.344 3.303 20 10 DGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]CC2(C(F)(F)F)CC2)c1[O-] ZINC000796490103 626055859 /nfs/dbraw/zinc/05/58/59/626055859.db2.gz NZUFBGRLCMBHKK-UHFFFAOYSA-N 0 0 324.686 3.386 20 10 DGCDRN CCCN1CCC[C@H]1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000796520951 626058443 /nfs/dbraw/zinc/05/84/43/626058443.db2.gz MWUUGPCWGLQSHM-NSHDSACASA-N 0 0 300.805 3.149 20 10 DGCDRN CC[C@H]([NH2+]CCc1c(C)nn(C)c1C)c1ccc(F)cc1[O-] ZINC000796685641 626073133 /nfs/dbraw/zinc/07/31/33/626073133.db2.gz ZPTCEYWLWBCRNJ-INIZCTEOSA-N 0 0 305.397 3.165 20 10 DGCDRN CC[C@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000796704157 626075076 /nfs/dbraw/zinc/07/50/76/626075076.db2.gz XKFXLMYXBSCMFZ-QAPCUYQASA-N 0 0 317.404 3.423 20 10 DGCDRN CC[C@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1ccc(F)cc1[O-] ZINC000796790820 626083436 /nfs/dbraw/zinc/08/34/36/626083436.db2.gz WABREGQLBSQYHV-HOCLYGCPSA-N 0 0 312.454 3.009 20 10 DGCDRN CCc1ccccc1OCCC(=O)N(C)Cc1ccccc1O ZINC000797188693 626123800 /nfs/dbraw/zinc/12/38/00/626123800.db2.gz JHASMCWVQHZRFW-UHFFFAOYSA-N 0 0 313.397 3.382 20 10 DGCDRN CC1=C[C@@H](C)CN(C(=O)NCCCSc2nccs2)C1 ZINC000797475324 626145892 /nfs/dbraw/zinc/14/58/92/626145892.db2.gz ATUULIMSFSZKGD-LLVKDONJSA-N 0 0 311.476 3.233 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)N[C@@H]2C[C@H]2C2CC2)C2CC2)cc1 ZINC000797577788 626154333 /nfs/dbraw/zinc/15/43/33/626154333.db2.gz OGZWPCCBNNOKGP-ZWKOTPCHSA-N 0 0 313.445 3.225 20 10 DGCDRN COc1ccc(NC(=O)NCc2ccc(OC)cc2O)c(C)c1 ZINC000797622425 626160573 /nfs/dbraw/zinc/16/05/73/626160573.db2.gz VEJXCVBBMWODSC-UHFFFAOYSA-N 0 0 316.357 3.040 20 10 DGCDRN CN(CCCN(C)c1ccc2c(c1)OCO2)C(=O)OC(C)(C)C ZINC000797976347 626186246 /nfs/dbraw/zinc/18/62/46/626186246.db2.gz ISKQRHGYSTYZAJ-UHFFFAOYSA-N 0 0 322.405 3.109 20 10 DGCDRN CC[C@@H]1C[C@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000798120641 626195514 /nfs/dbraw/zinc/19/55/14/626195514.db2.gz POKVICQPLYXFCW-NVXWUHKLSA-N 0 0 303.450 3.471 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)/C(F)=C/C1CCCCC1 ZINC000798176099 626199618 /nfs/dbraw/zinc/19/96/18/626199618.db2.gz YDOACWDTZVJYNF-UVTDQMKNSA-N 0 0 307.365 3.190 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](O)c1ccco1)c1cccc(C(F)(F)F)c1[O-] ZINC000798179479 626200023 /nfs/dbraw/zinc/20/00/23/626200023.db2.gz BTFYNIANOTZDLD-JOYOIKCWSA-N 0 0 315.291 3.388 20 10 DGCDRN C[C@H](CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])[S@@](C)=O ZINC000798181488 626200591 /nfs/dbraw/zinc/20/05/91/626200591.db2.gz KPLBNRJYKBVIFH-QONUSYMYSA-N 0 0 323.380 3.219 20 10 DGCDRN C[C@H]1CCC[C@@H]1CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000798393722 626215092 /nfs/dbraw/zinc/21/50/92/626215092.db2.gz YEVYUYRIRWFJRI-GXTWGEPZSA-N 0 0 307.413 3.127 20 10 DGCDRN C[C@@H]1CCC[C@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000798420245 626217437 /nfs/dbraw/zinc/21/74/37/626217437.db2.gz MTWBNPOLJQOLCL-WBVHZDCISA-N 0 0 313.445 3.298 20 10 DGCDRN COc1ccc(N(C)Cc2cnc(OC)nc2C)cc1Cl ZINC000799127399 626274717 /nfs/dbraw/zinc/27/47/17/626274717.db2.gz GSYLZHCXSYQWJB-UHFFFAOYSA-N 0 0 307.781 3.092 20 10 DGCDRN C[C@H](NC(=O)Nc1cncc(F)c1)c1ccc(N(C)C)cc1 ZINC000799234291 626283048 /nfs/dbraw/zinc/28/30/48/626283048.db2.gz PWRALECVNZCDBB-NSHDSACASA-N 0 0 302.353 3.169 20 10 DGCDRN COc1cc(C)cc(CN2CCC=C(Br)C2)c1O ZINC000799574385 626310947 /nfs/dbraw/zinc/31/09/47/626310947.db2.gz LMPGMPWCPFYUAI-UHFFFAOYSA-N 0 0 312.207 3.194 20 10 DGCDRN C[C@@H]([NH2+][C@H](CCO)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000799729387 626325308 /nfs/dbraw/zinc/32/53/08/626325308.db2.gz LILUGKGEVVGEHF-CZUORRHYSA-N 0 0 303.377 3.176 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H](CCO)Cc1ccccc1 ZINC000799739048 626326888 /nfs/dbraw/zinc/32/68/88/626326888.db2.gz IEVVCGPFGRLDIB-HNNXBMFYSA-N 0 0 323.795 3.268 20 10 DGCDRN Cc1cc(C(=O)N(C)CCCO)c(C)n1-c1cccc(Cl)c1 ZINC000799792695 626328914 /nfs/dbraw/zinc/32/89/14/626328914.db2.gz FQIABIRZLQGJMJ-UHFFFAOYSA-N 0 0 320.820 3.202 20 10 DGCDRN O=[N+]([O-])c1cnc(Sc2nnc(-c3ccc(F)cc3)o2)s1 ZINC000799925715 626336356 /nfs/dbraw/zinc/33/63/56/626336356.db2.gz RNZJFGHMEWIBSJ-UHFFFAOYSA-N 0 0 324.318 3.392 20 10 DGCDRN CCOC(=O)c1cccc(Sc2ncc([N+](=O)[O-])s2)c1 ZINC000799960200 626338486 /nfs/dbraw/zinc/33/84/86/626338486.db2.gz DHNROWOZPWZCIX-UHFFFAOYSA-N 0 0 310.356 3.379 20 10 DGCDRN COc1cc(Br)cc(CNC2(C(F)F)CC2)c1O ZINC000800310725 626350458 /nfs/dbraw/zinc/35/04/58/626350458.db2.gz ILRCWNFVXXSMBF-UHFFFAOYSA-N 0 0 322.149 3.051 20 10 DGCDRN Cc1noc(C)c1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839913601 626369559 /nfs/dbraw/zinc/36/95/59/626369559.db2.gz MKJOJPLMQDCPJP-LBPRGKRZSA-N 0 0 315.417 3.027 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccsc1 ZINC000839917039 626370467 /nfs/dbraw/zinc/37/04/67/626370467.db2.gz YHIKYGYPAWMVEL-CYBMUJFWSA-N 0 0 302.443 3.484 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H](C)OCC(C)C ZINC000839918586 626371607 /nfs/dbraw/zinc/37/16/07/626371607.db2.gz MWTADRYJEJJGQK-CVEARBPZSA-N 0 0 320.477 3.169 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1CC12CCC2 ZINC000839920068 626373225 /nfs/dbraw/zinc/37/32/25/626373225.db2.gz KIQORAMQMRCTJA-PBHICJAKSA-N 0 0 300.446 3.298 20 10 DGCDRN CCCCO[C@@H](C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839920036 626373366 /nfs/dbraw/zinc/37/33/66/626373366.db2.gz ZXYDQBRBUAEGDT-CVEARBPZSA-N 0 0 320.477 3.313 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1C[C@H]1C(C)C ZINC000839919697 626373513 /nfs/dbraw/zinc/37/35/13/626373513.db2.gz JHJAEIZMZJOFDY-WBAXXEDZSA-N 0 0 302.462 3.400 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1CCCCS1 ZINC000839921266 626374055 /nfs/dbraw/zinc/37/40/55/626374055.db2.gz YGCQMCGRQQGCKN-RHSMWYFYSA-N 0 0 320.502 3.394 20 10 DGCDRN Cc1nc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c(C)o1 ZINC000839921835 626374139 /nfs/dbraw/zinc/37/41/39/626374139.db2.gz NNHYKCVUWLANAD-GFCCVEGCSA-N 0 0 315.417 3.027 20 10 DGCDRN CCCCN(Cc1ccccc1O)c1cc(-n2ccnc2)ncn1 ZINC000800887039 626382519 /nfs/dbraw/zinc/38/25/19/626382519.db2.gz LZABWGAJZSQDBW-UHFFFAOYSA-N 0 0 323.400 3.175 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2C[C@H]2c2ccco2)c(C)n1-c1ccccn1 ZINC000839924484 626387362 /nfs/dbraw/zinc/38/73/62/626387362.db2.gz IRABYVBPGVUAQT-HZPDHXFCSA-N 0 0 321.380 3.368 20 10 DGCDRN O=C(/C=C/c1cnc2ccccc2n1)N1CCc2cc(F)ccc21 ZINC000801076807 626393172 /nfs/dbraw/zinc/39/31/72/626393172.db2.gz RSSHLRODXQLILY-SOFGYWHQSA-N 0 0 319.339 3.371 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C[C@H]1CCC2(CCCC2)O1 ZINC000801524953 626407668 /nfs/dbraw/zinc/40/76/68/626407668.db2.gz BZZDJYNUAWWGJX-MRXNPFEDSA-N 0 0 316.445 3.443 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)C(F)(F)C(F)F ZINC000801551290 626409240 /nfs/dbraw/zinc/40/92/40/626409240.db2.gz KPFJGRCMKFBAQJ-UHFFFAOYSA-N 0 0 307.287 3.421 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)C[C@@H]1CCCOC1 ZINC000801545329 626409246 /nfs/dbraw/zinc/40/92/46/626409246.db2.gz NKBMJBIGQYIKCM-HNNXBMFYSA-N 0 0 305.418 3.338 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CSC2(C)C)cc1 ZINC000801745448 626416855 /nfs/dbraw/zinc/41/68/55/626416855.db2.gz JOAANDNGUVURHV-OAHLLOKOSA-N 0 0 321.490 3.226 20 10 DGCDRN CCOc1cccc(CNc2ccc(OC(F)F)nc2)c1O ZINC000801739671 626416905 /nfs/dbraw/zinc/41/69/05/626416905.db2.gz RJOQETSXWUTAJW-UHFFFAOYSA-N 0 0 310.300 3.399 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@@]1(C)CCCO1 ZINC000802230132 626436465 /nfs/dbraw/zinc/43/64/65/626436465.db2.gz YTFNOANAOHMFAX-GOSISDBHSA-N 0 0 320.433 3.273 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cnc(NC)s1 ZINC000802658251 626565690 /nfs/dbraw/zinc/56/56/90/626565690.db2.gz PXWZNZSUKJFFGI-UHFFFAOYSA-N 0 0 319.430 3.333 20 10 DGCDRN CC1(C)CC(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000802839685 626576781 /nfs/dbraw/zinc/57/67/81/626576781.db2.gz MKIOQWNSLUPYRG-MRXNPFEDSA-N 0 0 317.429 3.336 20 10 DGCDRN COCC1(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)CCC1 ZINC000803741514 626631488 /nfs/dbraw/zinc/63/14/88/626631488.db2.gz WFVLLAMVZWSERW-UHFFFAOYSA-N 0 0 312.413 3.393 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2cccc(Br)c2[O-])CCS1 ZINC000131378133 626632501 /nfs/dbraw/zinc/63/25/01/626632501.db2.gz DQDPTPINDPWGNN-SECBINFHSA-N 0 0 302.237 3.092 20 10 DGCDRN CCN1CC[C@H]1C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000883355416 626658434 /nfs/dbraw/zinc/65/84/34/626658434.db2.gz QHNNQYMZLSGMJE-UWVGGRQHSA-N 0 0 303.233 3.444 20 10 DGCDRN CCCN1C(=O)N(c2cc(Cl)c(N)c(Cl)c2)C(=O)[C@@H]1C ZINC000804211830 626661497 /nfs/dbraw/zinc/66/14/97/626661497.db2.gz YRIPEMRREOAITP-ZETCQYMHSA-N 0 0 316.188 3.143 20 10 DGCDRN Cc1cc2c(cc1C)N(C(=O)/C=C/c1ccc(O)c(O)c1)CC2 ZINC000804320767 626668997 /nfs/dbraw/zinc/66/89/97/626668997.db2.gz VXHICWTZAZFGLJ-GQCTYLIASA-N 0 0 309.365 3.317 20 10 DGCDRN Cc1ccc([C@H](C)Nc2cccc3c2N(C)C(=O)CO3)c(O)c1 ZINC000883397050 626672078 /nfs/dbraw/zinc/67/20/78/626672078.db2.gz CNAGTZPEJFEVBZ-LBPRGKRZSA-N 0 0 312.369 3.229 20 10 DGCDRN CSc1cnc(N(Cc2ccc(N(C)C)cc2)C2CC2)nc1 ZINC000804362731 626673419 /nfs/dbraw/zinc/67/34/19/626673419.db2.gz MUVIEGZNNRCQNN-UHFFFAOYSA-N 0 0 314.458 3.434 20 10 DGCDRN Cc1nc(CN(C)c2ccc(N)cc2)sc1Br ZINC000883437267 626682093 /nfs/dbraw/zinc/68/20/93/626682093.db2.gz NUGMQRFOGXUZQW-UHFFFAOYSA-N 0 0 312.236 3.433 20 10 DGCDRN C[C@@H]([NH2+]CCN(C)C)c1cc(Br)cc(Cl)c1[O-] ZINC000806171492 626704301 /nfs/dbraw/zinc/70/43/01/626704301.db2.gz LDFQTOKYPMAUDJ-MRVPVSSYSA-N 0 0 321.646 3.020 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cccnc2F)cc1 ZINC000806325539 626710149 /nfs/dbraw/zinc/71/01/49/626710149.db2.gz GAGJXMVLTVHLQO-UHFFFAOYSA-N 0 0 315.392 3.339 20 10 DGCDRN C[N@@H+](Cc1cccc(Br)c1[O-])C[C@@H]1CCCCO1 ZINC000132601529 626729259 /nfs/dbraw/zinc/72/92/59/626729259.db2.gz QXXRHMDKJJVMNO-LBPRGKRZSA-N 0 0 314.223 3.156 20 10 DGCDRN COc1cc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)ccn1 ZINC000806665030 626730148 /nfs/dbraw/zinc/73/01/48/626730148.db2.gz FXDWLPWMKYBIQF-LBPRGKRZSA-N 0 0 314.389 3.039 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1CCCC1(F)F)c1ccc(N(C)C)cc1 ZINC000807139827 626747388 /nfs/dbraw/zinc/74/73/88/626747388.db2.gz IJFSILBDZDPHLV-SMDDNHRTSA-N 0 0 311.376 3.301 20 10 DGCDRN COc1ccc(CNc2cc([N+](=O)[O-])ccc2C(C)=O)c(O)c1 ZINC000808057882 626789747 /nfs/dbraw/zinc/78/97/47/626789747.db2.gz GIKPXZDPROVJLF-UHFFFAOYSA-N 0 0 316.313 3.124 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCCC[C@H]2C(F)F)cc1 ZINC000800007684 626790888 /nfs/dbraw/zinc/79/08/88/626790888.db2.gz JMRCKGGSCMSTIM-AWEZNQCLSA-N 0 0 311.376 3.082 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1ccc(C)s1 ZINC000808093090 626792158 /nfs/dbraw/zinc/79/21/58/626792158.db2.gz HNZSPTCHDOMXTO-UHFFFAOYSA-N 0 0 310.415 3.107 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(F)cc(F)c1 ZINC000808095859 626792534 /nfs/dbraw/zinc/79/25/34/626792534.db2.gz WDMNTXQEXCURBM-UHFFFAOYSA-N 0 0 312.312 3.086 20 10 DGCDRN Cc1cc(C(=O)OCC(=O)C(F)F)c(C)n1-c1ccccc1C ZINC000800076925 626802016 /nfs/dbraw/zinc/80/20/16/626802016.db2.gz XJNJQGRDMSTGAI-UHFFFAOYSA-N 0 0 321.323 3.394 20 10 DGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]CCC2(F)CCC2)c1[O-] ZINC000808427565 626823169 /nfs/dbraw/zinc/82/31/69/626823169.db2.gz WWHKOULPWOAABM-UHFFFAOYSA-N 0 0 302.733 3.326 20 10 DGCDRN COc1cccc(O)c1CN[C@H](C)c1nccn1-c1ccccc1 ZINC000808428797 626823193 /nfs/dbraw/zinc/82/31/93/626823193.db2.gz PRQORTZVMAWAFZ-CQSZACIVSA-N 0 0 323.396 3.437 20 10 DGCDRN C[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)[C@H](O)c1ccccc1 ZINC000808444724 626825709 /nfs/dbraw/zinc/82/57/09/626825709.db2.gz JUOSUVGWJJIVJB-QFYYESIMSA-N 0 0 309.768 3.396 20 10 DGCDRN CC(=O)C(=O)COC(=O)C(C)(C)c1ccc(-c2ccccc2)cc1 ZINC000808529493 626836803 /nfs/dbraw/zinc/83/68/03/626836803.db2.gz FWEBUARCRZNXNR-UHFFFAOYSA-N 0 0 324.376 3.333 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)N(C)CCCF)cc2)CC1 ZINC000884136936 626839828 /nfs/dbraw/zinc/83/98/28/626839828.db2.gz ZHODJHIADCYSQI-UHFFFAOYSA-N 0 0 321.440 3.424 20 10 DGCDRN CCC(CC)CC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000133943349 626847549 /nfs/dbraw/zinc/84/75/49/626847549.db2.gz ATFBOLFMSCKBOR-UHFFFAOYSA-N 0 0 322.424 3.309 20 10 DGCDRN CN(C(=O)C[C@@H]1CCc2sccc2C1=O)c1ccc(N)cc1 ZINC000884441186 626880733 /nfs/dbraw/zinc/88/07/33/626880733.db2.gz BMMGYWOCSWMEKG-NSHDSACASA-N 0 0 314.410 3.129 20 10 DGCDRN [O-]c1c(Br)cccc1C[NH2+]CC1CCSCC1 ZINC000134608170 626883782 /nfs/dbraw/zinc/88/37/82/626883782.db2.gz DPAMQSUVNBPXNR-UHFFFAOYSA-N 0 0 316.264 3.388 20 10 DGCDRN O=C(NCCCSc1nccs1)c1ccc(Cl)cn1 ZINC000134926211 626893156 /nfs/dbraw/zinc/89/31/56/626893156.db2.gz RGRKKVPXLWHIIE-UHFFFAOYSA-N 0 0 313.835 3.104 20 10 DGCDRN CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000135049158 626903444 /nfs/dbraw/zinc/90/34/44/626903444.db2.gz UCSHFIJCAOFQNK-LLVKDONJSA-N 0 0 311.809 3.368 20 10 DGCDRN COc1ncc(/C=C/C(=O)N2CCC(C)(C)c3ccccc32)cn1 ZINC000809359530 626907034 /nfs/dbraw/zinc/90/70/34/626907034.db2.gz UXMJYNYRUHDUGB-CMDGGOBGSA-N 0 0 323.396 3.213 20 10 DGCDRN COc1nnccc1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000809375908 626907497 /nfs/dbraw/zinc/90/74/97/626907497.db2.gz GWSCGUFMSNEPMV-UHFFFAOYSA-N 0 0 322.368 3.145 20 10 DGCDRN COc1ncc(/C=C\C(=O)N(C)c2ccccc2C(C)C)cn1 ZINC000809390062 626908942 /nfs/dbraw/zinc/90/89/42/626908942.db2.gz CFHMHVQZDLSRJE-KTKRTIGZSA-N 0 0 311.385 3.285 20 10 DGCDRN Cc1cccc(NC(=O)NCCc2ccc(O)c(O)c2)c1Cl ZINC000135117271 626909183 /nfs/dbraw/zinc/90/91/83/626909183.db2.gz SOUDGFDIIMOBHX-UHFFFAOYSA-N 0 0 320.776 3.424 20 10 DGCDRN CCN(CC)c1ccc(CN(C)Cc2cn(C(C)C)nn2)cc1 ZINC000809540892 626917416 /nfs/dbraw/zinc/91/74/16/626917416.db2.gz LUENWKDHGWQDKL-UHFFFAOYSA-N 0 0 315.465 3.337 20 10 DGCDRN C[C@@H]1CO[C@H](C(F)(F)F)CN1Cc1cc(Cl)ccc1O ZINC000809696749 626937945 /nfs/dbraw/zinc/93/79/45/626937945.db2.gz QCUXRVBXXHLMBX-PELKAZGASA-N 0 0 309.715 3.197 20 10 DGCDRN O=C1NCc2c1cccc2NCc1cc(Cl)cc(F)c1O ZINC000809721962 626940925 /nfs/dbraw/zinc/94/09/25/626940925.db2.gz HEHDNRUCGLNLFZ-UHFFFAOYSA-N 0 0 306.724 3.040 20 10 DGCDRN Cc1noc([C@@H]2CCCCN2Cc2cc(Cl)ccc2O)n1 ZINC000809719018 626941327 /nfs/dbraw/zinc/94/13/27/626941327.db2.gz USWHGCYNMDCHFG-ZDUSSCGKSA-N 0 0 307.781 3.464 20 10 DGCDRN C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000809724019 626941969 /nfs/dbraw/zinc/94/19/69/626941969.db2.gz CUKNVMPEOPQTII-NHYWBVRUSA-N 0 0 312.816 3.243 20 10 DGCDRN CN(C)c1ccc(OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000810002276 626967465 /nfs/dbraw/zinc/96/74/65/626967465.db2.gz WFFFWRDUERHDHH-UHFFFAOYSA-N 0 0 317.301 3.148 20 10 DGCDRN CN(C)c1ccc(OCC(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000810001787 626967562 /nfs/dbraw/zinc/96/75/62/626967562.db2.gz LRHSRVHZNCFOTG-UHFFFAOYSA-N 0 0 310.397 3.259 20 10 DGCDRN CCCCN(C)C[C@@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000810163375 626983180 /nfs/dbraw/zinc/98/31/80/626983180.db2.gz RSISFGRFHRFYOR-LLVKDONJSA-N 0 0 302.821 3.395 20 10 DGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)C1(CCF)CC1 ZINC000810245886 626992370 /nfs/dbraw/zinc/99/23/70/626992370.db2.gz INYVZIVEYDQFDY-UHFFFAOYSA-N 0 0 304.409 3.433 20 10 DGCDRN COCC[C@@H](COC)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000810258022 626993819 /nfs/dbraw/zinc/99/38/19/626993819.db2.gz XZXNVVJQFKYACQ-UWVGGRQHSA-N 0 0 322.232 3.401 20 10 DGCDRN CC[C@H](C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-])OC ZINC000810260730 626994657 /nfs/dbraw/zinc/99/46/57/626994657.db2.gz NMKOYKWIVSMHFN-RKDXNWHRSA-N 0 0 320.202 3.369 20 10 DGCDRN COc1ccc(N(Cc2ccco2)CC(OC)OC)cc1F ZINC000136795072 627103836 /nfs/dbraw/zinc/10/38/36/627103836.db2.gz DKYULRVICQWWJH-UHFFFAOYSA-N 0 0 309.337 3.053 20 10 DGCDRN CN(C)c1ccc(CNc2cccc(-n3ccnn3)c2)cc1F ZINC000136839899 627104208 /nfs/dbraw/zinc/10/42/08/627104208.db2.gz LEQZYZSSUGFCHC-UHFFFAOYSA-N 0 0 311.364 3.085 20 10 DGCDRN CC(C)Oc1ccc(N(C)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000886171662 627117369 /nfs/dbraw/zinc/11/73/69/627117369.db2.gz LFGZKZNLGCFLTN-UHFFFAOYSA-N 0 0 301.346 3.413 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1c([O-])cccc1F ZINC000886506203 627154541 /nfs/dbraw/zinc/15/45/41/627154541.db2.gz GWLWJIHJLSOFNY-GHMZBOCLSA-N 0 0 320.330 3.066 20 10 DGCDRN C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1c([O-])cccc1F ZINC000886511324 627155183 /nfs/dbraw/zinc/15/51/83/627155183.db2.gz QKPLTMOLYRFULZ-DZGCQCFKSA-N 0 0 303.377 3.033 20 10 DGCDRN C[C@@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1c([O-])cccc1F ZINC000886521147 627156337 /nfs/dbraw/zinc/15/63/37/627156337.db2.gz VTUAAJVBBIKOSP-LLVKDONJSA-N 0 0 312.385 3.049 20 10 DGCDRN C[C@H]([NH2+]CCCOCC1CCOCC1)c1c([O-])cccc1F ZINC000886530549 627157594 /nfs/dbraw/zinc/15/75/94/627157594.db2.gz MHFYNVBGUOXSLV-ZDUSSCGKSA-N 0 0 311.397 3.015 20 10 DGCDRN C[C@H]([NH2+]CCCNC(=O)c1cccs1)c1c([O-])cccc1F ZINC000886547912 627160946 /nfs/dbraw/zinc/16/09/46/627160946.db2.gz UIEFAGBIXMSDHZ-NSHDSACASA-N 0 0 322.405 3.064 20 10 DGCDRN C[C@@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)c1c([O-])cccc1F ZINC000886558620 627162750 /nfs/dbraw/zinc/16/27/50/627162750.db2.gz OSOWFXOSGXAFOA-LLVKDONJSA-N 0 0 324.396 3.049 20 10 DGCDRN COCC[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886587937 627168503 /nfs/dbraw/zinc/16/85/03/627168503.db2.gz IMETYTWDLLCPTI-STQMWFEESA-N 0 0 307.365 3.423 20 10 DGCDRN C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1ccccc1F ZINC000886631621 627177045 /nfs/dbraw/zinc/17/70/45/627177045.db2.gz RHQGGIYCUAVXMW-WVQJBOLRSA-N 0 0 307.340 3.443 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1)c1c([O-])cccc1F ZINC000886637609 627178124 /nfs/dbraw/zinc/17/81/24/627178124.db2.gz ASAZSCZOWCVIGZ-DUVNUKRYSA-N 0 0 317.408 3.327 20 10 DGCDRN CN(C)c1ccc(-c2nc(-c3cn(C4CC4)nn3)cs2)cc1 ZINC000887379718 627248899 /nfs/dbraw/zinc/24/88/99/627248899.db2.gz DJMTWGRETFZOFC-UHFFFAOYSA-N 0 0 311.414 3.470 20 10 DGCDRN CN(C)c1ccc(CN2CCCc3n[nH]cc32)c(C(F)(F)F)c1 ZINC000811497482 627282177 /nfs/dbraw/zinc/28/21/77/627282177.db2.gz OZUUOGQGENSXRJ-UHFFFAOYSA-N 0 0 324.350 3.447 20 10 DGCDRN C[C@@H]1CN(Cc2cccc(Cl)c2O)c2ccccc2C(=O)N1 ZINC000811508787 627284129 /nfs/dbraw/zinc/28/41/29/627284129.db2.gz CHAZQBXYDHLREP-LLVKDONJSA-N 0 0 316.788 3.184 20 10 DGCDRN CCOc1cccc(NCc2cc(OC)ccc2O)c1[N+](=O)[O-] ZINC000811805609 627323327 /nfs/dbraw/zinc/32/33/27/627323327.db2.gz XVMFMWKGADYQCX-UHFFFAOYSA-N 0 0 318.329 3.320 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cccnc1C(F)F ZINC000889010965 627370513 /nfs/dbraw/zinc/37/05/13/627370513.db2.gz GDFUKNAPGIYQEC-UHFFFAOYSA-N 0 0 319.355 3.324 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]1CCC2(CCC2)O1 ZINC000889010995 627370655 /nfs/dbraw/zinc/37/06/55/627370655.db2.gz HBUOVQCETGEJBA-KRWDZBQOSA-N 0 0 316.445 3.169 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)CCCC3CC3)CC2)cc1 ZINC000812494906 627392606 /nfs/dbraw/zinc/39/26/06/627392606.db2.gz VKEOBOCKBRTYEF-UHFFFAOYSA-N 0 0 316.445 3.361 20 10 DGCDRN CCC[C@@H]1C[C@H]1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000812504060 627393235 /nfs/dbraw/zinc/39/32/35/627393235.db2.gz KEMOEKAXEZVVRC-DJIMGWMZSA-N 0 0 317.429 3.336 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)[C@@H](C)COC ZINC000812563466 627397853 /nfs/dbraw/zinc/39/78/53/627397853.db2.gz ALUYVGMRTISLBO-GJZGRUSLSA-N 0 0 307.434 3.440 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2C[C@@H]3CCC[C@H]23)c(C)n1-c1ccccn1 ZINC000889585870 627441388 /nfs/dbraw/zinc/44/13/88/627441388.db2.gz DUDNSPUWATZHQB-YQQAZPJKSA-N 0 0 309.413 3.408 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)NCCCCF)C2CC2)cc1 ZINC000813219500 627468957 /nfs/dbraw/zinc/46/89/57/627468957.db2.gz BCVKCXMVESJXPH-UHFFFAOYSA-N 0 0 307.413 3.176 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C)C2CC2)cc1 ZINC000889828972 627470052 /nfs/dbraw/zinc/47/00/52/627470052.db2.gz JJZYWKPTUFNJRX-AWEZNQCLSA-N 0 0 303.450 3.473 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCCCCC(=O)C2)cc1 ZINC000813385933 627485025 /nfs/dbraw/zinc/48/50/25/627485025.db2.gz BTLJHSMQQAMOGD-MRXNPFEDSA-N 0 0 316.445 3.251 20 10 DGCDRN CCc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)ccc1O ZINC000813409099 627487489 /nfs/dbraw/zinc/48/74/89/627487489.db2.gz GLIYCAVSDMZAPO-UHFFFAOYSA-N 0 0 324.424 3.485 20 10 DGCDRN Cc1ccoc1CNC(=O)NCCCSc1nccs1 ZINC000813681123 627507222 /nfs/dbraw/zinc/50/72/22/627507222.db2.gz KIFPSAJNUBNIIW-UHFFFAOYSA-N 0 0 311.432 3.026 20 10 DGCDRN CCOc1ccc(O)c(CNc2cccc(OC(=O)NC)c2)c1 ZINC000813791401 627511945 /nfs/dbraw/zinc/51/19/45/627511945.db2.gz CBRHZBMTWDRKCQ-UHFFFAOYSA-N 0 0 316.357 3.121 20 10 DGCDRN CC[C@H](C)CONC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000813827117 627513794 /nfs/dbraw/zinc/51/37/94/627513794.db2.gz SSILEIRUJLLQRH-AWEZNQCLSA-N 0 0 307.438 3.262 20 10 DGCDRN Cc1nsc(C)c1C(=O)NCc1ccc(N(C)C)cc1C ZINC000814116832 627543262 /nfs/dbraw/zinc/54/32/62/627543262.db2.gz ZCKHESMCCGMGMO-UHFFFAOYSA-N 0 0 303.431 3.064 20 10 DGCDRN COCC(C)(C)[N@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC000814178168 627547511 /nfs/dbraw/zinc/54/75/11/627547511.db2.gz FFARGPWQCRIVOQ-UHFFFAOYSA-N 0 0 316.239 3.320 20 10 DGCDRN CC1CCN(c2ccc(CNC(=S)NC3CCC3)cc2)CC1 ZINC000814197271 627549781 /nfs/dbraw/zinc/54/97/81/627549781.db2.gz VYVXKIRBTTUGRA-UHFFFAOYSA-N 0 0 317.502 3.440 20 10 DGCDRN CCc1noc(NCc2cc(C)cc(Br)c2O)n1 ZINC000814255664 627555002 /nfs/dbraw/zinc/55/50/02/627555002.db2.gz ZMTGXUYRWYHDTH-UHFFFAOYSA-N 0 0 312.167 3.021 20 10 DGCDRN CC[C@H]([NH2+]Cc1cc(C)cc(Br)c1[O-])C(C)(C)O ZINC000815155553 627638912 /nfs/dbraw/zinc/63/89/12/627638912.db2.gz RXEIIOQYLGMYMF-LBPRGKRZSA-N 0 0 316.239 3.102 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](C1CC1)N(C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000815562154 627684878 /nfs/dbraw/zinc/68/48/78/627684878.db2.gz YNUXXUAMJBPNJY-QMTHXVAHSA-N 0 0 316.367 3.402 20 10 DGCDRN C[C@H](Cn1ccnc1)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815558674 627685133 /nfs/dbraw/zinc/68/51/33/627685133.db2.gz KTIVULZTFOEDJG-GHMZBOCLSA-N 0 0 313.323 3.347 20 10 DGCDRN C[C@@H]([NH2+]C[C@]1(C)CCOC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815579184 627687065 /nfs/dbraw/zinc/68/70/65/627687065.db2.gz HCSCNZDWIYHQAK-YGRLFVJLSA-N 0 0 303.324 3.488 20 10 DGCDRN C[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815579183 627687236 /nfs/dbraw/zinc/68/72/36/627687236.db2.gz HCSCNZDWIYHQAK-QMTHXVAHSA-N 0 0 303.324 3.488 20 10 DGCDRN CC(C)[C@H](CCO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815584151 627687586 /nfs/dbraw/zinc/68/75/86/627687586.db2.gz WUEMOLCHDAJOLT-MFKMUULPSA-N 0 0 305.340 3.469 20 10 DGCDRN CC[C@@H](CCO)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815587448 627688430 /nfs/dbraw/zinc/68/84/30/627688430.db2.gz JWNPCQSVCALHQA-QWRGUYRKSA-N 0 0 305.340 3.470 20 10 DGCDRN C[C@H](Nc1ccc(F)c(NC(N)=O)c1)c1ccc(F)cc1O ZINC000815632322 627692958 /nfs/dbraw/zinc/69/29/58/627692958.db2.gz JXMBLJMNMWZQGJ-QMMMGPOBSA-N 0 0 307.300 3.334 20 10 DGCDRN C[C@H](NCC(C)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000815644943 627694175 /nfs/dbraw/zinc/69/41/75/627694175.db2.gz QQTCPAVMMTZNHT-NSHDSACASA-N 0 0 318.795 3.482 20 10 DGCDRN COc1cccc(CNC(=O)c2ccc3cc(C)ccc3n2)c1O ZINC000815834532 627707172 /nfs/dbraw/zinc/70/71/72/627707172.db2.gz MTSRMGAHQOSGNH-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)C(C)(C)OC ZINC000925485046 627741150 /nfs/dbraw/zinc/74/11/50/627741150.db2.gz KYTORDOXKDTHOM-CQSZACIVSA-N 0 0 321.465 3.098 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1CN1CCc2ccc(O)cc2C1 ZINC000816492552 627796129 /nfs/dbraw/zinc/79/61/29/627796129.db2.gz VQDGYPDABJMIEE-UHFFFAOYSA-N 0 0 307.752 3.449 20 10 DGCDRN Cn1nccc1[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816494320 627797076 /nfs/dbraw/zinc/79/70/76/627797076.db2.gz GWGRWXYJHBRBQR-NSHDSACASA-N 0 0 323.799 3.298 20 10 DGCDRN Oc1c(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)ccc2ccccc21 ZINC000816520871 627801114 /nfs/dbraw/zinc/80/11/14/627801114.db2.gz AFXCHDSNLQBQKV-OAHLLOKOSA-N 0 0 322.412 3.049 20 10 DGCDRN Cc1ccc(C(N)=O)cc1NCc1cc(Cl)c(F)cc1O ZINC000816525423 627802611 /nfs/dbraw/zinc/80/26/11/627802611.db2.gz SGDSPNJTMRPVQD-UHFFFAOYSA-N 0 0 308.740 3.204 20 10 DGCDRN CN(CC[NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccccc1 ZINC000816533473 627803033 /nfs/dbraw/zinc/80/30/33/627803033.db2.gz XQWQVTDSCVEKOB-UHFFFAOYSA-N 0 0 308.784 3.411 20 10 DGCDRN CC(C)C[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])N(C)C ZINC000816534752 627803115 /nfs/dbraw/zinc/80/31/15/627803115.db2.gz SVSOEDYUVJDTFZ-LBPRGKRZSA-N 0 0 302.821 3.251 20 10 DGCDRN C[C@H](CN1CCC[C@@H](C)C1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816538219 627804509 /nfs/dbraw/zinc/80/45/09/627804509.db2.gz JJCPUWWQDWKWGT-VXGBXAGGSA-N 0 0 314.832 3.395 20 10 DGCDRN CCOc1ncccc1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816561534 627808699 /nfs/dbraw/zinc/80/86/99/627808699.db2.gz BDXNVCJIWRJBGP-UHFFFAOYSA-N 0 0 310.756 3.268 20 10 DGCDRN COc1ccc(N(C)Cc2c(F)ccc(O)c2F)cc1OC ZINC000816569626 627810299 /nfs/dbraw/zinc/81/02/99/627810299.db2.gz RSHWOOOQPBDEEH-UHFFFAOYSA-N 0 0 309.312 3.324 20 10 DGCDRN Cc1ccccc1C[C@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816588484 627811661 /nfs/dbraw/zinc/81/16/61/627811661.db2.gz PHIPQMKDTRQTNX-CQSZACIVSA-N 0 0 323.795 3.186 20 10 DGCDRN Cc1cccc(C[C@H](CO)[NH2+]Cc2cc(Cl)c(F)cc2[O-])c1 ZINC000816588721 627811802 /nfs/dbraw/zinc/81/18/02/627811802.db2.gz WWLKCYATRPIEBP-CQSZACIVSA-N 0 0 323.795 3.186 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H](CCO)Cc1ccccc1 ZINC000816599771 627813704 /nfs/dbraw/zinc/81/37/04/627813704.db2.gz XYGWVIYBBCSUKK-AWEZNQCLSA-N 0 0 323.795 3.268 20 10 DGCDRN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1cc(Cl)c(F)cc1[O-] ZINC000816608395 627814275 /nfs/dbraw/zinc/81/42/75/627814275.db2.gz YNLJMRAVXWAFQH-CTWVWSKESA-N 0 0 311.784 3.040 20 10 DGCDRN COC(=O)c1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816610319 627814963 /nfs/dbraw/zinc/81/49/63/627814963.db2.gz GQWPHORWOHKQHH-UHFFFAOYSA-N 0 0 323.751 3.261 20 10 DGCDRN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@H](O)Cc1ccccc1 ZINC000816625246 627816651 /nfs/dbraw/zinc/81/66/51/627816651.db2.gz XYTVPVVYKAVHFX-CQSZACIVSA-N 0 0 323.795 3.220 20 10 DGCDRN C[N@@H+]1CCC[C@@]2(CCN(Cc3cc(Cl)cc(F)c3[O-])C2)C1 ZINC000816641894 627818249 /nfs/dbraw/zinc/81/82/49/627818249.db2.gz JIORZSLGNVWWKD-MRXNPFEDSA-N 0 0 312.816 3.102 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1scnc1C(F)(F)F ZINC000816889151 627837072 /nfs/dbraw/zinc/83/70/72/627837072.db2.gz OCFGMHVPBFKZHS-UHFFFAOYSA-N 0 0 316.304 3.140 20 10 DGCDRN Cc1cc(C(=O)N2CCO[C@H]3C[C@H]32)c(C)n1-c1cccc(C)c1 ZINC000816898629 627837795 /nfs/dbraw/zinc/83/77/95/627837795.db2.gz FBULMDIEKKDJAQ-MSOLQXFVSA-N 0 0 310.397 3.016 20 10 DGCDRN O=C(NCc1ccccc1O)c1snc(Cl)c1Cl ZINC000816912407 627839748 /nfs/dbraw/zinc/83/97/48/627839748.db2.gz WLWRYIZMNRQOIN-UHFFFAOYSA-N 0 0 303.170 3.086 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCc2cccnc21 ZINC000816939022 627840951 /nfs/dbraw/zinc/84/09/51/627840951.db2.gz QBHRITFSFVPZTH-MRXNPFEDSA-N 0 0 322.408 3.012 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCc2cccnc21 ZINC000816939021 627840961 /nfs/dbraw/zinc/84/09/61/627840961.db2.gz QBHRITFSFVPZTH-INIZCTEOSA-N 0 0 322.408 3.012 20 10 DGCDRN CC(C)(NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1F ZINC000817039744 627848084 /nfs/dbraw/zinc/84/80/84/627848084.db2.gz NFOCRKYGCBSOFT-CSKARUKUSA-N 0 0 315.344 3.302 20 10 DGCDRN Cc1csc(C[C@@H]2CCN(C(=O)Nc3ccc(N)cc3)C2)n1 ZINC000926140610 627850157 /nfs/dbraw/zinc/85/01/57/627850157.db2.gz BOUABEPFNAMHHS-LBPRGKRZSA-N 0 0 316.430 3.130 20 10 DGCDRN Nc1ccc(NC(=O)NCC[C@H]2OCCc3ccccc32)cc1 ZINC000926140596 627850184 /nfs/dbraw/zinc/85/01/84/627850184.db2.gz BLVQBLBKPLYLKH-QGZVFWFLSA-N 0 0 311.385 3.094 20 10 DGCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2CC[C@H]1CCOC1=O ZINC000817299131 627879597 /nfs/dbraw/zinc/87/95/97/627879597.db2.gz VNKPZOOUJICHIT-GOEBONIOSA-N 0 0 317.429 3.283 20 10 DGCDRN CCc1nnc(CN2C[C@H](C(C)C)Cc3cc(OC)ccc32)o1 ZINC000817298122 627879603 /nfs/dbraw/zinc/87/96/03/627879603.db2.gz FXTHGILEJAMLIN-CQSZACIVSA-N 0 0 315.417 3.476 20 10 DGCDRN Cn1cc(/C=C2\c3cccc4c3N(CCC4)C2=O)c(C(F)F)n1 ZINC000817344946 627886484 /nfs/dbraw/zinc/88/64/84/627886484.db2.gz ADMPMHCOPBKGKU-MDWZMJQESA-N 0 0 315.323 3.191 20 10 DGCDRN COc1cc(O)c(CNc2cccc(N(C)C)c2C)cc1OC ZINC000817405187 627894085 /nfs/dbraw/zinc/89/40/85/627894085.db2.gz AKLHHQBZSMYZCH-UHFFFAOYSA-N 0 0 316.401 3.396 20 10 DGCDRN Cc1c(Cl)c(CN[C@@H](C)c2ccc(N(C)C)cc2)nn1C ZINC000817410868 627895100 /nfs/dbraw/zinc/89/51/00/627895100.db2.gz UJWBUPWYYKLHAE-NSHDSACASA-N 0 0 306.841 3.299 20 10 DGCDRN CC[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1 ZINC000817414488 627896837 /nfs/dbraw/zinc/89/68/37/627896837.db2.gz GEVCVRFAKYFNOR-RYUDHWBXSA-N 0 0 314.769 3.001 20 10 DGCDRN CCCc1[nH]ccc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000817523456 627915757 /nfs/dbraw/zinc/91/57/57/627915757.db2.gz CVACNEPOOJTNRE-UHFFFAOYSA-N 0 0 311.429 3.280 20 10 DGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CC12CC2 ZINC000817548160 627918537 /nfs/dbraw/zinc/91/85/37/627918537.db2.gz XLSGXUIOLHHBRK-GFCCVEGCSA-N 0 0 324.218 3.303 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)CCc3ccnn3C)cc12 ZINC000817760406 627947022 /nfs/dbraw/zinc/94/70/22/627947022.db2.gz AZXDVSCAHTYOEV-UHFFFAOYSA-N 0 0 311.385 3.067 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@H](C)c3cnn(C)c3)cc12 ZINC000817760994 627947106 /nfs/dbraw/zinc/94/71/06/627947106.db2.gz JEIUHYBXVBYRJO-GFCCVEGCSA-N 0 0 311.385 3.238 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)COCc3cccnc3)cc12 ZINC000817762578 627947421 /nfs/dbraw/zinc/94/74/21/627947421.db2.gz WFXAQJRXAAKGNU-UHFFFAOYSA-N 0 0 324.380 3.312 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCO[C@@H](CC)C1 ZINC000817788954 627949243 /nfs/dbraw/zinc/94/92/43/627949243.db2.gz LWYOEGQVGPCGCE-HOTGVXAUSA-N 0 0 320.433 3.271 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CCC2(CC[NH2+]2)CC1 ZINC000817864830 627951621 /nfs/dbraw/zinc/95/16/21/627951621.db2.gz DDPYZVDLXFAQNB-UHFFFAOYSA-N 0 0 301.217 3.027 20 10 DGCDRN CCN(CC(C)C)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817920190 627961282 /nfs/dbraw/zinc/96/12/82/627961282.db2.gz DBNGZVOKPTVAOF-UHFFFAOYSA-N 0 0 317.458 3.434 20 10 DGCDRN CC[C@@H](C)[C@@H](C)NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817923524 627962495 /nfs/dbraw/zinc/96/24/95/627962495.db2.gz LFCWLLCZTMMHKN-VXGBXAGGSA-N 0 0 317.458 3.481 20 10 DGCDRN CC[C@@H]([NH2+][C@@H]1CCCNC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817942036 627968459 /nfs/dbraw/zinc/96/84/59/627968459.db2.gz WBUZWFWTQKGDPI-ZWNOBZJWSA-N 0 0 303.233 3.492 20 10 DGCDRN C[C@@H]1C[C@H](C)CN1C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817950215 627972399 /nfs/dbraw/zinc/97/23/99/627972399.db2.gz WMUUANKRCBFGQX-NWDGAFQWSA-N 0 0 315.442 3.187 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817976428 627981151 /nfs/dbraw/zinc/98/11/51/627981151.db2.gz LVMYDRWOLIGJHY-VGMNWLOBSA-N 0 0 307.196 3.050 20 10 DGCDRN C[C@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1c([O-])cccc1F ZINC000926959317 627990026 /nfs/dbraw/zinc/99/00/26/627990026.db2.gz RHONCEPLKLKZMH-JOYOIKCWSA-N 0 0 308.319 3.065 20 10 DGCDRN CCCCCNC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818048864 627990339 /nfs/dbraw/zinc/99/03/39/627990339.db2.gz SGGMPVVNZTUIRX-HNNXBMFYSA-N 0 0 319.449 3.011 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCCc2cccnc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927060337 628005016 /nfs/dbraw/zinc/00/50/16/628005016.db2.gz ABXLOVQLQHPAQQ-XHDPSFHLSA-N 0 0 313.357 3.424 20 10 DGCDRN COC(=O)c1cnc([C@@H](C)N[C@H](C)c2ccc(C)cc2O)s1 ZINC000818357036 628017649 /nfs/dbraw/zinc/01/76/49/628017649.db2.gz UUWCWMHQCBWRPC-GHMZBOCLSA-N 0 0 320.414 3.356 20 10 DGCDRN COC(=O)c1cnc([C@H](C)N[C@H](C)c2ccc(F)cc2O)s1 ZINC000818355873 628017707 /nfs/dbraw/zinc/01/77/07/628017707.db2.gz KJRJERYOXDVQRX-BDAKNGLRSA-N 0 0 324.377 3.186 20 10 DGCDRN Cc1ccc(O)c([C@H](C)Nc2ccc(COCCO)cc2)c1 ZINC000818362373 628019448 /nfs/dbraw/zinc/01/94/48/628019448.db2.gz VNKVZPKLIDXSKE-AWEZNQCLSA-N 0 0 301.386 3.383 20 10 DGCDRN C[C@H](NC(=O)NC[C@@H]1CCCC2(CCC2)O1)c1ccccc1O ZINC000927174311 628031772 /nfs/dbraw/zinc/03/17/72/628031772.db2.gz LGMITBJIZVZZQF-KBPBESRZSA-N 0 0 318.417 3.244 20 10 DGCDRN CO[C@@H](CNC(=O)c1sccc1-n1c(C)ccc1C)C1CC1 ZINC000818540646 628033032 /nfs/dbraw/zinc/03/30/32/628033032.db2.gz XLKPDDMJFRIBQV-HNNXBMFYSA-N 0 0 318.442 3.310 20 10 DGCDRN COCCCOc1ccccc1NC[C@H](O)CC1CCCC1 ZINC000819421153 628152200 /nfs/dbraw/zinc/15/22/00/628152200.db2.gz FDDSRNJIIOXEIQ-MRXNPFEDSA-N 0 0 307.434 3.455 20 10 DGCDRN O[C@@H](CNc1ccccc1OCC1CC1)COc1ccccc1 ZINC000819450406 628156467 /nfs/dbraw/zinc/15/64/67/628156467.db2.gz BCBBXMRABHCFNO-INIZCTEOSA-N 0 0 313.397 3.327 20 10 DGCDRN O[C@@H](CCc1ccccc1)CNc1ccccc1OCCF ZINC000819488606 628162987 /nfs/dbraw/zinc/16/29/87/628162987.db2.gz ORXSOLVORYAYRL-INIZCTEOSA-N 0 0 303.377 3.441 20 10 DGCDRN CCC[C@@H](C)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819583703 628171488 /nfs/dbraw/zinc/17/14/88/628171488.db2.gz ZCINYRDAAXMHTA-HUUCEWRRSA-N 0 0 304.434 3.074 20 10 DGCDRN CCC(C)(C)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819583494 628171495 /nfs/dbraw/zinc/17/14/95/628171495.db2.gz WYFCFAANBBATDA-AWEZNQCLSA-N 0 0 304.434 3.074 20 10 DGCDRN CCCC1(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000819584896 628171548 /nfs/dbraw/zinc/17/15/48/628171548.db2.gz SZPGAEXWSQRXKN-OAHLLOKOSA-N 0 0 316.445 3.218 20 10 DGCDRN C=C/C(C)=C/CC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819586574 628171606 /nfs/dbraw/zinc/17/16/06/628171606.db2.gz ADLGWRIMSSUPFF-HSUWOCHWSA-N 0 0 314.429 3.160 20 10 DGCDRN CCCC[C@@H](C)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819591493 628172166 /nfs/dbraw/zinc/17/21/66/628172166.db2.gz SNSCOLOOUXAYCL-CVEARBPZSA-N 0 0 318.461 3.464 20 10 DGCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)CC[C@@H](C)CC ZINC000819698358 628180229 /nfs/dbraw/zinc/18/02/29/628180229.db2.gz LJLLEKKDEUZVRK-AWEZNQCLSA-N 0 0 321.417 3.110 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC000819756071 628186575 /nfs/dbraw/zinc/18/65/75/628186575.db2.gz QSDALWHQFHLTPT-LLVKDONJSA-N 0 0 318.360 3.320 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCc2cccnc21 ZINC000819824860 628194009 /nfs/dbraw/zinc/19/40/09/628194009.db2.gz NQTZBLQQAFDFRC-GOSISDBHSA-N 0 0 323.440 3.226 20 10 DGCDRN COc1ccc(N2CC[C@H](CNc3nnc(C(C)C)o3)C2)cc1 ZINC000819935672 628201452 /nfs/dbraw/zinc/20/14/52/628201452.db2.gz SGXKNIJPYSUAQC-CYBMUJFWSA-N 0 0 316.405 3.140 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCc1cn[nH]c1 ZINC000820024049 628214457 /nfs/dbraw/zinc/21/44/57/628214457.db2.gz SMDNBFWXHGSNHZ-UHFFFAOYSA-N 0 0 322.412 3.098 20 10 DGCDRN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820055073 628218632 /nfs/dbraw/zinc/21/86/32/628218632.db2.gz JDAAEYYEPXCHTA-YABSGUDNSA-N 0 0 302.378 3.404 20 10 DGCDRN CO[C@@H](COC(=O)c1sc2nc(C)cc(C)c2c1N)C1CC1 ZINC000820195670 628232967 /nfs/dbraw/zinc/23/29/67/628232967.db2.gz XIDDTIZIZAIAFB-NSHDSACASA-N 0 0 320.414 3.077 20 10 DGCDRN CCS[C@H]1CCC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820580430 628274220 /nfs/dbraw/zinc/27/42/20/628274220.db2.gz AFHSBKNMTVYCPL-OLZOCXBDSA-N 0 0 320.418 3.253 20 10 DGCDRN CC(C)OC1(C(=O)NCc2c(O)ccc3c2CCCC3)CCC1 ZINC000821070630 628334076 /nfs/dbraw/zinc/33/40/76/628334076.db2.gz INVIUNIJQUNBJZ-UHFFFAOYSA-N 0 0 317.429 3.235 20 10 DGCDRN COc1ccc(NC(C)=O)cc1NCc1cc(C)ccc1O ZINC000103855426 628351270 /nfs/dbraw/zinc/35/12/70/628351270.db2.gz PWUFGEFMXAVBCO-UHFFFAOYSA-N 0 0 300.358 3.280 20 10 DGCDRN CC(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000821682249 628390970 /nfs/dbraw/zinc/39/09/70/628390970.db2.gz YDHKCUXQILFFRE-OAHLLOKOSA-N 0 0 316.426 3.410 20 10 DGCDRN COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3CC(C)C)CC2)cc1 ZINC000822197251 628429040 /nfs/dbraw/zinc/42/90/40/628429040.db2.gz RVUITSVYFHHISO-CRAIPNDOSA-N 0 0 316.445 3.026 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)/C=C/C2(C)CCOCC2)cc1 ZINC000822264758 628433896 /nfs/dbraw/zinc/43/38/96/628433896.db2.gz CUNRRGFHYYSTLM-MDZDMXLPSA-N 0 0 316.445 3.084 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC[C@H](C)O1 ZINC000822411896 628448753 /nfs/dbraw/zinc/44/87/53/628448753.db2.gz QNVFUENYRNMANZ-HOCLYGCPSA-N 0 0 320.433 3.271 20 10 DGCDRN C[C@H]1CC2(CCC2)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000822440388 628451467 /nfs/dbraw/zinc/45/14/67/628451467.db2.gz WKSSAVAQMCJJPS-NSHDSACASA-N 0 0 300.362 3.254 20 10 DGCDRN CCOC(=O)CN(Cc1ccsc1)Cc1ccccc1O ZINC000822511529 628459259 /nfs/dbraw/zinc/45/92/59/628459259.db2.gz HOAJNYJZUBRPDQ-UHFFFAOYSA-N 0 0 305.399 3.019 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cc(Cl)no1 ZINC000822756456 628490171 /nfs/dbraw/zinc/49/01/71/628490171.db2.gz FYYOXWCEZMPXFF-UHFFFAOYSA-N 0 0 308.765 3.476 20 10 DGCDRN CC/C(C)=C/C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000822786212 628494736 /nfs/dbraw/zinc/49/47/36/628494736.db2.gz NHJOKWINKBESGV-BUYIWHAFSA-N 0 0 302.418 3.057 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CC23CCSCC3)cc1F ZINC000822863152 628503764 /nfs/dbraw/zinc/50/37/64/628503764.db2.gz MCMGTKUJKBKLKH-ZDUSSCGKSA-N 0 0 322.449 3.041 20 10 DGCDRN Cc1ncccc1/C=C/C(=O)NCc1ccc2c(c1)CCCN2C ZINC000822868069 628504177 /nfs/dbraw/zinc/50/41/77/628504177.db2.gz SFEWOYQLNNMULE-CSKARUKUSA-N 0 0 321.424 3.102 20 10 DGCDRN O=C(Nc1cccnc1N1CCCCC1)C1=CC(=O)CS1 ZINC000823159317 628532050 /nfs/dbraw/zinc/53/20/50/628532050.db2.gz QQVOLMREMKJEEX-UHFFFAOYSA-N 0 0 303.387 3.091 20 10 DGCDRN CCSc1cccnc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000823730347 628591155 /nfs/dbraw/zinc/59/11/55/628591155.db2.gz UNIZVMPAEVDVGZ-UHFFFAOYSA-N 0 0 315.442 3.190 20 10 DGCDRN C[C@@H]1Cc2cccc(C(=O)NCc3ccc(N(C)C)cc3)c2O1 ZINC000823729455 628591295 /nfs/dbraw/zinc/59/12/95/628591295.db2.gz HAHDKYFGKVRCNB-CYBMUJFWSA-N 0 0 310.397 3.006 20 10 DGCDRN CCc1cccc(C(=O)N(CC)Cc2ccc(N(C)C)cc2)n1 ZINC000823899623 628608777 /nfs/dbraw/zinc/60/87/77/628608777.db2.gz LBMMYWXKOLVZHQ-UHFFFAOYSA-N 0 0 311.429 3.372 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@@]12CCO[C@H]1CCCC2 ZINC000823986395 628616174 /nfs/dbraw/zinc/61/61/74/628616174.db2.gz LOSXPIIEGQSYJJ-HOCLYGCPSA-N 0 0 309.793 3.011 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NOCC1CCC1 ZINC000824099002 628627091 /nfs/dbraw/zinc/62/70/91/628627091.db2.gz NOJXFTUYPYWZFT-UHFFFAOYSA-N 0 0 306.406 3.436 20 10 DGCDRN COC(=O)COc1ccc(N(C)Cc2csc(C)c2)cc1 ZINC000824153306 628632086 /nfs/dbraw/zinc/63/20/86/628632086.db2.gz HECKVJPQRLJQGL-UHFFFAOYSA-N 0 0 305.399 3.245 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cccc(OC)n1 ZINC000824165868 628633589 /nfs/dbraw/zinc/63/35/89/628633589.db2.gz FGSOSYLRQQYSRF-UHFFFAOYSA-N 0 0 315.373 3.240 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H](C)[C@@H]1CCCO1 ZINC000824234184 628641115 /nfs/dbraw/zinc/64/11/15/628641115.db2.gz FWPHLLHOZFEVRU-YJBOKZPZSA-N 0 0 318.461 3.306 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cnccc1C ZINC000824240100 628641661 /nfs/dbraw/zinc/64/16/61/628641661.db2.gz DTVMNXYVUNSMIU-UHFFFAOYSA-N 0 0 311.429 3.047 20 10 DGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1ncccc1F ZINC000824262447 628645295 /nfs/dbraw/zinc/64/52/95/628645295.db2.gz YCQBXHSTGOFNEL-UHFFFAOYSA-N 0 0 313.376 3.141 20 10 DGCDRN CCN(CC)c1ccc(CNCc2noc(C3CC3)n2)cc1F ZINC000824321001 628650871 /nfs/dbraw/zinc/65/08/71/628650871.db2.gz NTZUBELXNKYJMS-UHFFFAOYSA-N 0 0 318.396 3.222 20 10 DGCDRN C[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)CC[N@@H+](C2CC2)C1 ZINC000824445586 628661226 /nfs/dbraw/zinc/66/12/26/628661226.db2.gz GEJLRVHRGJDNCW-LLVKDONJSA-N 0 0 312.816 3.101 20 10 DGCDRN Oc1cc(OCc2ccccc2)ccc1CNC(CF)CF ZINC000824555811 628670510 /nfs/dbraw/zinc/67/05/10/628670510.db2.gz XLHWFNCZGWVVAF-UHFFFAOYSA-N 0 0 307.340 3.368 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H](C)CCCCO)c1 ZINC000824653843 628680352 /nfs/dbraw/zinc/68/03/52/628680352.db2.gz INFBNRJMUMAZKY-NSHDSACASA-N 0 0 316.239 3.104 20 10 DGCDRN CN1CCCc2cc(CNC(=O)CCCc3cccnc3)ccc21 ZINC000824676489 628682743 /nfs/dbraw/zinc/68/27/43/628682743.db2.gz MASXYQFTBDAZGH-UHFFFAOYSA-N 0 0 323.440 3.103 20 10 DGCDRN CCN(C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)C1CC1 ZINC000840489753 628687806 /nfs/dbraw/zinc/68/78/06/628687806.db2.gz TYBNBZOQKNUPBP-CQSZACIVSA-N 0 0 303.450 3.186 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC1(CF)CCOCC1 ZINC000824795287 628694785 /nfs/dbraw/zinc/69/47/85/628694785.db2.gz SPQKYQRNFSLPFF-UHFFFAOYSA-N 0 0 305.752 3.041 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Nc2cc(F)ccn2)cc1 ZINC000824825105 628697533 /nfs/dbraw/zinc/69/75/33/628697533.db2.gz MLUCPUJTEDJNJP-UHFFFAOYSA-N 0 0 316.380 3.389 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000824955791 628710814 /nfs/dbraw/zinc/71/08/14/628710814.db2.gz ZFQMYHTZHNFHJH-ZBFHGGJFSA-N 0 0 318.804 3.451 20 10 DGCDRN CCOc1ccc(C[N@@H+]2CCc3cccc(OC)c3C2)c(O)c1 ZINC000824983300 628712839 /nfs/dbraw/zinc/71/28/39/628712839.db2.gz TURGVFBZYDVFPF-UHFFFAOYSA-N 0 0 313.397 3.358 20 10 DGCDRN CCN(CC)c1ccc(CN2CC[S@@](=O)C(C)(C)CC2)cc1 ZINC000825025187 628717169 /nfs/dbraw/zinc/71/71/69/628717169.db2.gz ZIIKSJBSXCYEJP-JOCHJYFZSA-N 0 0 322.518 3.266 20 10 DGCDRN CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000825040829 628719652 /nfs/dbraw/zinc/71/96/52/628719652.db2.gz UTMAHWZNQFJCIJ-YPMHNXCESA-N 0 0 315.772 3.006 20 10 DGCDRN COc1cccc(O)c1CN1CCOC[C@@H]1c1ccc(F)cc1 ZINC000825045433 628720018 /nfs/dbraw/zinc/72/00/18/628720018.db2.gz DIXYEOBHSBYVNS-MRXNPFEDSA-N 0 0 317.360 3.113 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCCC23CC3)cc1 ZINC000825080618 628725503 /nfs/dbraw/zinc/72/55/03/628725503.db2.gz SPSJUQZEQPSCGT-GFCCVEGCSA-N 0 0 300.362 3.159 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000825085884 628726100 /nfs/dbraw/zinc/72/61/00/628726100.db2.gz OCKMPHFQQUWLMK-CZUORRHYSA-N 0 0 318.804 3.451 20 10 DGCDRN Cc1cccc(CN(C)Cc2csc(C(C)(C)O)n2)c1O ZINC000825153308 628733815 /nfs/dbraw/zinc/73/38/15/628733815.db2.gz KOYYGHLVRBOYNH-UHFFFAOYSA-N 0 0 306.431 3.017 20 10 DGCDRN Cc1cc(C)c(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cn1 ZINC000825220943 628738973 /nfs/dbraw/zinc/73/89/73/628738973.db2.gz AIJFRIUBFLNLGO-UHFFFAOYSA-N 0 0 321.764 3.255 20 10 DGCDRN Cn1ncc(NCc2ccc(Br)cc2O)c1C1CC1 ZINC000825536736 628771921 /nfs/dbraw/zinc/77/19/21/628771921.db2.gz MKXOOXZLKJZKQC-UHFFFAOYSA-N 0 0 322.206 3.378 20 10 DGCDRN CC[C@@]1(C)CN(Cc2ccc(Br)cc2O)CCO1 ZINC000825634424 628779604 /nfs/dbraw/zinc/77/96/04/628779604.db2.gz NFURHNCILMFTQZ-AWEZNQCLSA-N 0 0 314.223 3.156 20 10 DGCDRN C/C(=C\C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000825730517 628791494 /nfs/dbraw/zinc/79/14/94/628791494.db2.gz YFDKJLSQPPHYOW-XNTDXEJSSA-N 0 0 302.418 3.140 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N(C)CCC(C)(C)C)cc1F ZINC000826019486 628820476 /nfs/dbraw/zinc/82/04/76/628820476.db2.gz GPVYDRUPNJLFGL-UHFFFAOYSA-N 0 0 309.429 3.469 20 10 DGCDRN O=C(NCCCSc1nccs1)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000826692646 628874313 /nfs/dbraw/zinc/87/43/13/628874313.db2.gz JKBKEWQQLNPOOJ-IJLUTSLNSA-N 0 0 311.476 3.113 20 10 DGCDRN CC(C)(C)c1ccc(CNC(=O)/C=C\c2ccc(O)c(O)c2)o1 ZINC000826904938 628901676 /nfs/dbraw/zinc/90/16/76/628901676.db2.gz JMENSXBHIWQFRV-UITAMQMPSA-N 0 0 315.369 3.318 20 10 DGCDRN COc1ccc(O)c(CNCC(F)(F)c2cccc(F)c2)c1 ZINC000826915714 628903540 /nfs/dbraw/zinc/90/35/40/628903540.db2.gz UAZAWDMQZHONQO-UHFFFAOYSA-N 0 0 311.303 3.422 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000827316433 628948440 /nfs/dbraw/zinc/94/84/40/628948440.db2.gz AWXPPPKCIXAOFU-JKSUJKDBSA-N 0 0 311.381 3.298 20 10 DGCDRN Cn1ncc(C2CCC2)c1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000827400558 628955916 /nfs/dbraw/zinc/95/59/16/628955916.db2.gz ATSWJQFHLSVJCU-UHFFFAOYSA-N 0 0 323.799 3.476 20 10 DGCDRN C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000827733791 628986382 /nfs/dbraw/zinc/98/63/82/628986382.db2.gz OHOJNGWSMLSTKV-LRDDRELGSA-N 0 0 305.805 3.300 20 10 DGCDRN C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000827733920 628986748 /nfs/dbraw/zinc/98/67/48/628986748.db2.gz RAWDONDLZSAAJH-BDJLRTHQSA-N 0 0 323.795 3.439 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000827849363 628996820 /nfs/dbraw/zinc/99/68/20/628996820.db2.gz FKCFAQSSGGIUOV-CALCHBBNSA-N 0 0 307.821 3.438 20 10 DGCDRN C[C@H](O)[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccccc1 ZINC000827855695 628997519 /nfs/dbraw/zinc/99/75/19/628997519.db2.gz GRZSBBRLCHGOTH-ZUZCIYMTSA-N 0 0 309.768 3.396 20 10 DGCDRN COc1ccccc1OCCC(=O)N[C@H](C)c1ccccc1O ZINC000827915629 629003268 /nfs/dbraw/zinc/00/32/68/629003268.db2.gz BUBNYCRIGHFJGV-CYBMUJFWSA-N 0 0 315.369 3.047 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)c2ccccc2O)nn1C(C)(C)C ZINC000827930886 629004722 /nfs/dbraw/zinc/00/47/22/629004722.db2.gz SYQZPCNUYKWDCK-GFCCVEGCSA-N 0 0 301.390 3.143 20 10 DGCDRN C[C@@H](COCC(=O)N[C@H](C)c1ccccc1O)c1ccccc1 ZINC000827952379 629007120 /nfs/dbraw/zinc/00/71/20/629007120.db2.gz QDUZRLLILNXAFK-LSDHHAIUSA-N 0 0 313.397 3.390 20 10 DGCDRN Cc1ccc([C@@H](C)[C@H](O)C(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000827969637 629009148 /nfs/dbraw/zinc/00/91/48/629009148.db2.gz QFNBNZCUQTWZIP-GLJUWKHASA-N 0 0 313.397 3.042 20 10 DGCDRN C[C@H](NC(=O)C1(c2ccc(N(C)C)cc2)CC1)c1ccccc1O ZINC000827964891 629009345 /nfs/dbraw/zinc/00/93/45/629009345.db2.gz ZHHXAFQHAYGBJQ-AWEZNQCLSA-N 0 0 324.424 3.367 20 10 DGCDRN CCCOc1cccnc1C(=O)N[C@@H](C)c1ccccc1O ZINC000827968964 629009352 /nfs/dbraw/zinc/00/93/52/629009352.db2.gz DBXMUQJOGXDKPB-LBPRGKRZSA-N 0 0 300.358 3.067 20 10 DGCDRN Cc1ccc([C@H](C)[C@@H](O)C(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000827969642 629009468 /nfs/dbraw/zinc/00/94/68/629009468.db2.gz QFNBNZCUQTWZIP-SUNYJGFJSA-N 0 0 313.397 3.042 20 10 DGCDRN C[C@H](NC(=O)c1cnc([C@@H]2CCCO2)s1)c1ccccc1O ZINC000827972929 629009949 /nfs/dbraw/zinc/00/99/49/629009949.db2.gz DPWDCGBXTFIBBP-GWCFXTLKSA-N 0 0 318.398 3.191 20 10 DGCDRN Cc1nc(Cl)ccc1CC(=O)N[C@@H](C)c1ccccc1O ZINC000827973525 629010273 /nfs/dbraw/zinc/01/02/73/629010273.db2.gz SQFCZWDSDDMQJQ-NSHDSACASA-N 0 0 304.777 3.169 20 10 DGCDRN CCn1nc(C)c(C(=O)N[C@@H](C)c2ccccc2O)c1Cl ZINC000827973674 629010429 /nfs/dbraw/zinc/01/04/29/629010429.db2.gz WGRWJPMCOAHYJC-VIFPVBQESA-N 0 0 307.781 3.061 20 10 DGCDRN COc1cc(C)c(C(=O)N[C@@H](C)c2ccccc2O)cc1OC ZINC000827973466 629010455 /nfs/dbraw/zinc/01/04/55/629010455.db2.gz QLUMUHZHUXWDLZ-LBPRGKRZSA-N 0 0 315.369 3.209 20 10 DGCDRN C[C@@H](NC(=O)C[C@H]1CC(=O)Nc2ccccc21)c1ccccc1O ZINC000828535108 629063796 /nfs/dbraw/zinc/06/37/96/629063796.db2.gz OQYLIPIJXGPYDO-OLZOCXBDSA-N 0 0 324.380 3.086 20 10 DGCDRN CCSc1c[nH]c(=O)c(C(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000828540153 629064846 /nfs/dbraw/zinc/06/48/46/629064846.db2.gz YXFPIHXBNFPPGE-JTQLQIEISA-N 0 0 318.398 3.096 20 10 DGCDRN CC[C@@](C)(CC(=O)[O-])[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000828664612 629080561 /nfs/dbraw/zinc/08/05/61/629080561.db2.gz CXKRBZZBNWSICC-SFHVURJKSA-N 0 0 304.434 3.410 20 10 DGCDRN Cc1cc(C(=O)CN2CC=CCC2)c(C)n1-c1ccc(F)cn1 ZINC000828742022 629087456 /nfs/dbraw/zinc/08/74/56/629087456.db2.gz ARZTYVYUQQVWMR-UHFFFAOYSA-N 0 0 313.376 3.073 20 10 DGCDRN O=C(COC(=O)[C@@H]1CCCC[C@H]1C1CC1)c1ccc(O)c(O)c1 ZINC000829746232 629187445 /nfs/dbraw/zinc/18/74/45/629187445.db2.gz PLCOODYOLKPGMQ-UONOGXRCSA-N 0 0 318.369 3.040 20 10 DGCDRN COCCCn1cc(C)c(NCc2cc(C)c(C)cc2O)n1 ZINC000830492026 629276920 /nfs/dbraw/zinc/27/69/20/629276920.db2.gz NPLHTWDFUCQZFW-UHFFFAOYSA-N 0 0 303.406 3.163 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](OC)C2CCCCC2)c1 ZINC000830540823 629281944 /nfs/dbraw/zinc/28/19/44/629281944.db2.gz NXJDMLBCJMDCNS-PXAZEXFGSA-N 0 0 321.417 3.173 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](OC)C2CCCCC2)c1 ZINC000830540824 629282039 /nfs/dbraw/zinc/28/20/39/629282039.db2.gz NXJDMLBCJMDCNS-SJCJKPOMSA-N 0 0 321.417 3.173 20 10 DGCDRN C[C@@H](Cc1ccco1)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830559759 629284196 /nfs/dbraw/zinc/28/41/96/629284196.db2.gz VFJGGNCTCUGDAU-ZDUSSCGKSA-N 0 0 313.397 3.359 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2C[C@H](C)OC3(CCCC3)C2)c1O ZINC000830843580 629311284 /nfs/dbraw/zinc/31/12/84/629311284.db2.gz JSGVWMHEUYETNF-LBPRGKRZSA-N 0 0 321.392 3.267 20 10 DGCDRN COc1ccc(N(Cc2cccc(C(N)=O)c2)CC2CC2)cc1 ZINC000831582805 629393484 /nfs/dbraw/zinc/39/34/84/629393484.db2.gz IJYFDPWMKYPHJH-UHFFFAOYSA-N 0 0 310.397 3.211 20 10 DGCDRN COc1ccc(N(Cc2cn3cccnc3n2)CC2CC2)cc1 ZINC000831583265 629393517 /nfs/dbraw/zinc/39/35/17/629393517.db2.gz TWOMBWAUAYLAQI-UHFFFAOYSA-N 0 0 308.385 3.155 20 10 DGCDRN CC(C)c1cc([C@@H]2CCCN(C(=O)C3=CC(=O)CS3)C2)[nH]n1 ZINC000831891138 629423969 /nfs/dbraw/zinc/42/39/69/629423969.db2.gz DPSXTVAWZQILCB-LLVKDONJSA-N 0 0 319.430 3.320 20 10 DGCDRN CC1(C)C(c2cc(NC(=O)Cc3ccc(N)cc3)n[nH]2)C1(C)C ZINC000832135964 629444657 /nfs/dbraw/zinc/44/46/57/629444657.db2.gz UUWQYMGLFIPBKE-UHFFFAOYSA-N 0 0 312.417 3.323 20 10 DGCDRN CO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])C12CCC2 ZINC000832208424 629449966 /nfs/dbraw/zinc/44/99/66/629449966.db2.gz ACAMHAJXFAAOEN-HZPDHXFCSA-N 0 0 321.392 3.123 20 10 DGCDRN O=C(NC1(Cc2cccc(F)c2)CCC1)C1=CC(=O)CS1 ZINC000832461018 629483898 /nfs/dbraw/zinc/48/38/98/629483898.db2.gz MHXKSHLPRHIMHI-UHFFFAOYSA-N 0 0 305.374 3.488 20 10 DGCDRN Cc1cc(CC(=O)NC[C@H]2CCC=CO2)c(C)n1-c1ccccc1 ZINC000832644628 629501516 /nfs/dbraw/zinc/50/15/16/629501516.db2.gz FHBOVDMKLTVKJK-LJQANCHMSA-N 0 0 324.424 3.446 20 10 DGCDRN Cn1cc(/C=C\C(=O)N(Cc2ccccc2)c2ccccn2)cn1 ZINC000832904345 629530874 /nfs/dbraw/zinc/53/08/74/629530874.db2.gz QJNLXCSXURHFFN-KHPPLWFESA-N 0 0 318.380 3.062 20 10 DGCDRN C/C(=C\C(=O)N1CC(C)(C)Cc2ccccc21)c1cnccn1 ZINC000833311537 629582105 /nfs/dbraw/zinc/58/21/05/629582105.db2.gz XNCPNLSGKISUGF-GXDHUFHOSA-N 0 0 307.397 3.495 20 10 DGCDRN Cc1cc(C(=O)NC(CF)CF)c(C)n1-c1cccc(C)c1 ZINC000833433928 629604384 /nfs/dbraw/zinc/60/43/84/629604384.db2.gz LYAZSCFXOWMBJV-UHFFFAOYSA-N 0 0 306.356 3.440 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCC(C)(C)CO)cc1 ZINC000833633213 629633837 /nfs/dbraw/zinc/63/38/37/629633837.db2.gz DXPFJWRDRJSJNM-UHFFFAOYSA-N 0 0 314.429 3.233 20 10 DGCDRN COc1ccc(F)c(/C=C2/SC(N3CCCCC3)=NC2=O)c1 ZINC000834408925 629706460 /nfs/dbraw/zinc/70/64/60/629706460.db2.gz OVTDWYKJVUQGIH-GXDHUFHOSA-N 0 0 320.389 3.291 20 10 DGCDRN CC1(C)CC[C@@H]1C(=O)NCc1cccc(Br)c1O ZINC000834476447 629715623 /nfs/dbraw/zinc/71/56/23/629715623.db2.gz YSKKGOSUKGIIHN-SNVBAGLBSA-N 0 0 312.207 3.207 20 10 DGCDRN Cn1ccnc1[C@@H](N[C@@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000834503242 629718645 /nfs/dbraw/zinc/71/86/45/629718645.db2.gz XBJVMMGICJKZOV-APWZRJJASA-N 0 0 319.408 3.492 20 10 DGCDRN CC[C@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(F)F ZINC000834828154 629784910 /nfs/dbraw/zinc/78/49/10/629784910.db2.gz PUZXCIVTKABKLP-FZMZJTMJSA-N 0 0 316.367 3.357 20 10 DGCDRN COCC(COC)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000834891901 629799092 /nfs/dbraw/zinc/79/90/92/629799092.db2.gz QCCUPXGKLFRNOY-MRVPVSSYSA-N 0 0 308.205 3.011 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C)CC(=O)NC)c1ccc(Cl)c(Cl)c1[O-] ZINC000834898926 629802017 /nfs/dbraw/zinc/80/20/17/629802017.db2.gz CECOXCIRNDDCKH-KWQFWETISA-N 0 0 319.232 3.264 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000834907597 629805592 /nfs/dbraw/zinc/80/55/92/629805592.db2.gz XGZDMWWHOFBXDW-XHNCKOQMSA-N 0 0 317.216 3.004 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCOCC2CCCC2)c1 ZINC000834910355 629806830 /nfs/dbraw/zinc/80/68/30/629806830.db2.gz OJKVCKZRAWXPGB-CYBMUJFWSA-N 0 0 321.417 3.036 20 10 DGCDRN CN(C)c1ccc(/C=C/CN2CCO[C@@H](c3ccco3)C2)cc1 ZINC000835027975 629828942 /nfs/dbraw/zinc/82/89/42/629828942.db2.gz HUGOUPQXWQQPOO-MEDHRJKHSA-N 0 0 312.413 3.432 20 10 DGCDRN CC(C)OC(=O)[C@@H](C)N(C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835028169 629829166 /nfs/dbraw/zinc/82/91/66/629829166.db2.gz JMMVZBIKRGXCFF-ZPIQOJFGSA-N 0 0 304.434 3.038 20 10 DGCDRN CC(C)OC(=O)[C@@H](C)N(C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835028167 629829291 /nfs/dbraw/zinc/82/92/91/629829291.db2.gz JMMVZBIKRGXCFF-MVGZEHJDSA-N 0 0 304.434 3.038 20 10 DGCDRN COC(=O)[C@@H](NC/C=C\c1ccc(N(C)C)cc1)c1ccccc1 ZINC000835047742 629835421 /nfs/dbraw/zinc/83/54/21/629835421.db2.gz VQYMSDSVMVRNLX-FQQSSWHASA-N 0 0 324.424 3.270 20 10 DGCDRN COc1ccc(C[N@H+](C)C/C=C/c2ccc(N(C)C)cc2)cn1 ZINC000835048762 629835463 /nfs/dbraw/zinc/83/54/63/629835463.db2.gz XYACAHWXAIRBKO-AATRIKPKSA-N 0 0 311.429 3.301 20 10 DGCDRN CN(C)c1ccc(/C=C\CN2CCNC(=O)c3ccccc32)cc1 ZINC000835052187 629837012 /nfs/dbraw/zinc/83/70/12/629837012.db2.gz CMVCNYQXENTQBC-WAYWQWQTSA-N 0 0 321.424 3.016 20 10 DGCDRN COc1c([O-])c(C[NH2+]CC2(C3CCC3)CCC2)ccc1[N+](=O)[O-] ZINC000835059756 629840902 /nfs/dbraw/zinc/84/09/02/629840902.db2.gz YAENCAJQZZDEAI-UHFFFAOYSA-N 0 0 320.389 3.369 20 10 DGCDRN CC/C=C/CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000836243057 630088908 /nfs/dbraw/zinc/08/89/08/630088908.db2.gz SUGPPYNGCNKKGG-ONEGZZNKSA-N 0 0 319.474 3.005 20 10 DGCDRN CC/C=C\CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000836243055 630089019 /nfs/dbraw/zinc/08/90/19/630089019.db2.gz SUGPPYNGCNKKGG-ARJAWSKDSA-N 0 0 319.474 3.005 20 10 DGCDRN CC[C@H](NC(=O)NCc1ccc(N(CC)CC)cc1)C(F)F ZINC000836243062 630089210 /nfs/dbraw/zinc/08/92/10/630089210.db2.gz TWAJFHPFMHYEJK-AWEZNQCLSA-N 0 0 313.392 3.376 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NCC1=CCCCC1 ZINC000836319610 630098151 /nfs/dbraw/zinc/09/81/51/630098151.db2.gz CYAQIYLNFZNTHK-UHFFFAOYSA-N 0 0 311.429 3.362 20 10 DGCDRN Cc1csc(CNC(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000836581562 630136953 /nfs/dbraw/zinc/13/69/53/630136953.db2.gz NVQXWZXNCYMGIH-UHFFFAOYSA-N 0 0 321.421 3.261 20 10 DGCDRN COc1ccc(CNC(=O)NCC2CCCCCC2)c(O)c1 ZINC000836596682 630139075 /nfs/dbraw/zinc/13/90/75/630139075.db2.gz NAQHIDWGTYKQNW-UHFFFAOYSA-N 0 0 306.406 3.170 20 10 DGCDRN CC[C@@H](NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)[C@@H](C)O ZINC000836860670 630175608 /nfs/dbraw/zinc/17/56/08/630175608.db2.gz YVBXXXYZXGUDGP-CXAGYDPISA-N 0 0 318.392 3.122 20 10 DGCDRN CC(C)(C)C[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000837168326 630221485 /nfs/dbraw/zinc/22/14/85/630221485.db2.gz UXCGNLYREQUXGO-DYLGSBMWSA-N 0 0 303.402 3.396 20 10 DGCDRN CCC(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)cn2)c1C ZINC000837340652 630243925 /nfs/dbraw/zinc/24/39/25/630243925.db2.gz GWIMUSDERACEBR-UHFFFAOYSA-N 0 0 320.776 3.278 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)[C@H](C)C3CCC3)CC2)cc1 ZINC000837385773 630251190 /nfs/dbraw/zinc/25/11/90/630251190.db2.gz DOEIYTJIWYPVAS-CQSZACIVSA-N 0 0 316.445 3.216 20 10 DGCDRN C[C@@H](CC(F)(F)F)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000837480565 630264566 /nfs/dbraw/zinc/26/45/66/630264566.db2.gz KCXWBLRFTCMDCS-JTQLQIEISA-N 0 0 315.335 3.476 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2[nH]ccc2C2CC2)c1 ZINC000837485645 630265745 /nfs/dbraw/zinc/26/57/45/630265745.db2.gz PSKUSRGGNOOZCM-JTQLQIEISA-N 0 0 300.358 3.097 20 10 DGCDRN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1cc2n(n1)CCC2 ZINC000840713224 630351251 /nfs/dbraw/zinc/35/12/51/630351251.db2.gz LGHGOSHSZSHFRI-OAHLLOKOSA-N 0 0 310.445 3.280 20 10 DGCDRN CCOc1cccc([C@H]2NC(C)(C)C(=O)N2CC(C)(C)C)c1O ZINC000840827554 630363205 /nfs/dbraw/zinc/36/32/05/630363205.db2.gz IVFJPDWCAMXBBA-HNNXBMFYSA-N 0 0 320.433 3.046 20 10 DGCDRN CCc1ccc(NC(=S)NCc2ncccc2OC)cc1 ZINC000840826414 630363404 /nfs/dbraw/zinc/36/34/04/630363404.db2.gz XNEULXPTPWAIMF-UHFFFAOYSA-N 0 0 301.415 3.139 20 10 DGCDRN CCN1C(=O)C(C)(C)N[C@@H]1c1cc(Cl)c2ccccc2c1O ZINC000840838694 630364963 /nfs/dbraw/zinc/36/49/63/630364963.db2.gz RSAPZEFQXAQYDV-HNNXBMFYSA-N 0 0 318.804 3.428 20 10 DGCDRN C[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000840878956 630370751 /nfs/dbraw/zinc/37/07/51/630370751.db2.gz AHRPAUOPAYETQO-WCQYABFASA-N 0 0 307.340 3.097 20 10 DGCDRN Cc1cc(O)c(CNc2ncn(CC(F)(F)F)n2)c(Cl)c1 ZINC000840884192 630372195 /nfs/dbraw/zinc/37/21/95/630372195.db2.gz KDZCWXZWZRHYMF-UHFFFAOYSA-N 0 0 320.702 3.120 20 10 DGCDRN COc1cc(Cl)cc(CN2CCO[C@H](C3CCC3)C2)c1O ZINC000840955289 630384479 /nfs/dbraw/zinc/38/44/79/630384479.db2.gz TWNBWJVTFZRIML-HNNXBMFYSA-N 0 0 311.809 3.055 20 10 DGCDRN CN(C)c1ccc(CNc2cccc([C@@H]3CCC(=O)N3)c2)cc1 ZINC000840972055 630388985 /nfs/dbraw/zinc/38/89/85/630388985.db2.gz GIBIIOFHWUIRBP-SFHVURJKSA-N 0 0 309.413 3.316 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H]1NCCc2ccccc21 ZINC000841069287 630404339 /nfs/dbraw/zinc/40/43/39/630404339.db2.gz RXIAQOXHUUEYNW-OAHLLOKOSA-N 0 0 320.795 3.161 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000841105262 630408609 /nfs/dbraw/zinc/40/86/09/630408609.db2.gz DOYILXSAFCVFAP-CQSZACIVSA-N 0 0 301.217 3.027 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2ccc3c(c2)CCN3)cc1 ZINC000841276733 630422882 /nfs/dbraw/zinc/42/28/82/630422882.db2.gz UFUAJHSEIQVJKI-UHFFFAOYSA-N 0 0 310.401 3.042 20 10 DGCDRN CC(C)(C)Oc1ccc(CNC(=O)Nc2ccc(N)cc2)cn1 ZINC000841296189 630424130 /nfs/dbraw/zinc/42/41/30/630424130.db2.gz QGKFZNTUTUESTB-UHFFFAOYSA-N 0 0 314.389 3.163 20 10 DGCDRN Nc1ccc(NC(=O)N2CCO[C@H](C3CCCCC3)C2)cc1 ZINC000841296069 630424227 /nfs/dbraw/zinc/42/42/27/630424227.db2.gz OIJWXXBPQMUBCJ-INIZCTEOSA-N 0 0 303.406 3.082 20 10 DGCDRN Nc1ccc(NC(=O)N2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000841298893 630424504 /nfs/dbraw/zinc/42/45/04/630424504.db2.gz SVHMYNFBAGKNAF-QGZVFWFLSA-N 0 0 310.401 3.377 20 10 DGCDRN Nc1ccc(NC(=O)N(C[C@H]2CCCO2)C2CCCC2)cc1 ZINC000841298724 630424528 /nfs/dbraw/zinc/42/45/28/630424528.db2.gz CUOBXVULXYEOBQ-MRXNPFEDSA-N 0 0 303.406 3.224 20 10 DGCDRN C[C@H](NC(=O)Nc1ccc(N)cc1)[C@H]1Oc2ccccc2[C@H]1C ZINC000841298820 630424533 /nfs/dbraw/zinc/42/45/33/630424533.db2.gz DDBUAQFIZOHRSQ-PEBVRCNWSA-N 0 0 311.385 3.344 20 10 DGCDRN CC[C@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc(N)cc1 ZINC000841297198 630424565 /nfs/dbraw/zinc/42/45/65/630424565.db2.gz CEZTXERISNEDMN-KRWDZBQOSA-N 0 0 313.401 3.074 20 10 DGCDRN Nc1ccc(NC(=O)NCc2ccccc2OCC2CC2)cc1 ZINC000841300181 630425013 /nfs/dbraw/zinc/42/50/13/630425013.db2.gz LVHIDTQPSJZCBW-UHFFFAOYSA-N 0 0 311.385 3.379 20 10 DGCDRN Nc1ccc(NC(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000841300169 630425078 /nfs/dbraw/zinc/42/50/78/630425078.db2.gz PNXWONUXMOCELW-UHFFFAOYSA-N 0 0 311.385 3.175 20 10 DGCDRN Nc1ccc(NC(=O)N[C@H]2CCCN(c3ccccc3)C2)cc1 ZINC000841300811 630425082 /nfs/dbraw/zinc/42/50/82/630425082.db2.gz VMMOUHZRNBLCQC-INIZCTEOSA-N 0 0 310.401 3.059 20 10 DGCDRN CCO[C@H]1C[C@H](NC(=O)Nc2ccc(N)cc2)C1(CC)CC ZINC000841299507 630425100 /nfs/dbraw/zinc/42/51/00/630425100.db2.gz IDGWAYPJFFXOFR-GJZGRUSLSA-N 0 0 305.422 3.374 20 10 DGCDRN COc1cc(F)cc(/C=C2\SC(=S)N(C3CC3)C2=O)c1 ZINC000841495400 630442413 /nfs/dbraw/zinc/44/24/13/630442413.db2.gz HHHPQNUSVSLGSK-SDQBBNPISA-N 0 0 309.387 3.198 20 10 DGCDRN CO[C@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)CC(C)C ZINC000841584001 630446586 /nfs/dbraw/zinc/44/65/86/630446586.db2.gz WTZJLOYXDMMTOS-YOEHRIQHSA-N 0 0 321.465 3.174 20 10 DGCDRN Nc1ccc(CCNC(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000841666340 630452788 /nfs/dbraw/zinc/45/27/88/630452788.db2.gz AAILPXGBNCUTNH-JFIYKMOQSA-N 0 0 315.461 3.469 20 10 DGCDRN C[C@@H]([NH2+]CCC(=O)Nc1ccccn1)c1ccc(Cl)cc1[O-] ZINC000841746382 630461983 /nfs/dbraw/zinc/46/19/83/630461983.db2.gz FRNVRSLZPBFVIN-LLVKDONJSA-N 0 0 319.792 3.120 20 10 DGCDRN CCOC(CC[NH2+][C@H](C)c1ccc(Cl)cc1[O-])OCC ZINC000841751257 630462247 /nfs/dbraw/zinc/46/22/47/630462247.db2.gz GUXQDKLBSAWSLJ-LLVKDONJSA-N 0 0 301.814 3.485 20 10 DGCDRN C[C@H]([NH2+]CCCNC(=O)C1CCC1)c1ccc(Cl)cc1[O-] ZINC000841752883 630462407 /nfs/dbraw/zinc/46/24/07/630462407.db2.gz VJCRLVYMODQYKK-NSHDSACASA-N 0 0 310.825 3.003 20 10 DGCDRN C[C@@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1ccc(Cl)cc1[O-] ZINC000841764111 630463327 /nfs/dbraw/zinc/46/33/27/630463327.db2.gz PDWLNOLZMFENLF-GFCCVEGCSA-N 0 0 324.852 3.345 20 10 DGCDRN Cc1ccc([C@@H](C)CNC(=O)NCCc2ccc(N)cc2)cc1 ZINC000841830116 630470176 /nfs/dbraw/zinc/47/01/76/630470176.db2.gz FIWKCBLUZZWXGD-HNNXBMFYSA-N 0 0 311.429 3.223 20 10 DGCDRN CCC(CC)(CNC(=O)NCCc1ccc(N)cc1)SC ZINC000841842587 630470987 /nfs/dbraw/zinc/47/09/87/630470987.db2.gz YIQDJOJDPMDHGM-UHFFFAOYSA-N 0 0 309.479 3.032 20 10 DGCDRN Nc1ccc(CCNC(=O)NCC2(Cc3ccccc3)CC2)cc1 ZINC000841862871 630471986 /nfs/dbraw/zinc/47/19/86/630471986.db2.gz HDGXEROKGXSDQO-UHFFFAOYSA-N 0 0 323.440 3.133 20 10 DGCDRN Nc1ccc(CCNC(=O)NC(C2CCC2)C2CCC2)cc1 ZINC000841902528 630474549 /nfs/dbraw/zinc/47/45/49/630474549.db2.gz CPELINVKCRRXEN-UHFFFAOYSA-N 0 0 301.434 3.079 20 10 DGCDRN Nc1ccc(CCNC(=O)NC2CC(c3ccccc3)C2)cc1 ZINC000841897147 630474660 /nfs/dbraw/zinc/47/46/60/630474660.db2.gz VVULWKLLXLTLDE-UHFFFAOYSA-N 0 0 309.413 3.057 20 10 DGCDRN C[C@H](NC(=O)NCCc1ccc(N)cc1)[C@@H]1CCC[C@H](C)C1 ZINC000841915620 630475123 /nfs/dbraw/zinc/47/51/23/630475123.db2.gz SDFCDFGBZSCGFY-OFQRWUPVSA-N 0 0 303.450 3.325 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CC[C@H](Cc3ccccc3)C2)cc1 ZINC000841954725 630476141 /nfs/dbraw/zinc/47/61/41/630476141.db2.gz OMBFHOXTCSPWHW-GOSISDBHSA-N 0 0 323.440 3.086 20 10 DGCDRN C[C@H]1C[C@H](c2ccccc2)CN1C(=O)NCCc1ccc(N)cc1 ZINC000841954243 630476278 /nfs/dbraw/zinc/47/62/78/630476278.db2.gz KLDOBEICPWBSTQ-YJBOKZPZSA-N 0 0 323.440 3.399 20 10 DGCDRN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)NCCc1ccc(N)cc1 ZINC000841954241 630476357 /nfs/dbraw/zinc/47/63/57/630476357.db2.gz KLDOBEICPWBSTQ-QAPCUYQASA-N 0 0 323.440 3.399 20 10 DGCDRN CC(C)[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)[C@H]1C(C)C ZINC000841956122 630476742 /nfs/dbraw/zinc/47/67/42/630476742.db2.gz VWWYTVJOXUPHCE-IRXDYDNUSA-N 0 0 303.450 3.133 20 10 DGCDRN CC(C)[C@@H]1CCCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841955280 630476839 /nfs/dbraw/zinc/47/68/39/630476839.db2.gz YJYHMGJKWVMTPZ-MRXNPFEDSA-N 0 0 303.450 3.279 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CCC[C@@H](c3ccccc3)C2)cc1 ZINC000841955623 630476867 /nfs/dbraw/zinc/47/68/67/630476867.db2.gz IKSSCCHGPPPPEM-GOSISDBHSA-N 0 0 323.440 3.401 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CCC[C@H](c3ccccc3)C2)cc1 ZINC000841955624 630476974 /nfs/dbraw/zinc/47/69/74/630476974.db2.gz IKSSCCHGPPPPEM-SFHVURJKSA-N 0 0 323.440 3.401 20 10 DGCDRN COc1cc(N(C)C[C@@H](CC(C)C)OC)cc(OC)c1OC ZINC000842149795 630498685 /nfs/dbraw/zinc/49/86/85/630498685.db2.gz FUEGSYXCHDMJJV-CQSZACIVSA-N 0 0 311.422 3.210 20 10 DGCDRN C[C@@H]1[C@H](C)CN(C(=O)NCc2ccc(N(C)C)c(F)c2)[C@H]1C ZINC000842177515 630503165 /nfs/dbraw/zinc/50/31/65/630503165.db2.gz IBDBTHBVSZMQMX-UPJWGTAASA-N 0 0 307.413 3.078 20 10 DGCDRN CC[C@H](C)C[C@H](CO)[NH2+]Cc1cccc(Br)c1[O-] ZINC000842755366 630571796 /nfs/dbraw/zinc/57/17/96/630571796.db2.gz XYCGRGUXAPGZRF-CMPLNLGQSA-N 0 0 316.239 3.041 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)C[C@H](C)SC)C2)cc1 ZINC000842877459 630588713 /nfs/dbraw/zinc/58/87/13/630588713.db2.gz AJETWLSTNRYQEM-UONOGXRCSA-N 0 0 323.458 3.206 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)c1 ZINC000842922430 630593542 /nfs/dbraw/zinc/59/35/42/630593542.db2.gz WYHIIRRDDXZAQL-FPMFFAJLSA-N 0 0 321.417 3.176 20 10 DGCDRN C[C@@H]([NH2+][C@@H](CCO)c1ccccc1F)c1ccc(F)cc1[O-] ZINC000842924428 630594046 /nfs/dbraw/zinc/59/40/46/630594046.db2.gz QCCJKNVXJQUANG-BZNIZROVSA-N 0 0 307.340 3.445 20 10 DGCDRN CCc1ccccc1NC(=O)NCc1cccc(OC)c1O ZINC000104979084 630601118 /nfs/dbraw/zinc/60/11/18/630601118.db2.gz METFHUUQYVOWLS-UHFFFAOYSA-N 0 0 300.358 3.285 20 10 DGCDRN Nc1ccc(Cc2noc(CSC[C@@H]3CCCCO3)n2)cc1 ZINC000843159006 630622807 /nfs/dbraw/zinc/62/28/07/630622807.db2.gz KLKBXFLYCPUJDG-AWEZNQCLSA-N 0 0 319.430 3.045 20 10 DGCDRN Cc1cccc(OCCc2nc(Cc3ccc(N)cc3)no2)c1C ZINC000843159296 630623589 /nfs/dbraw/zinc/62/35/89/630623589.db2.gz OPCWKWOXUJQTQJ-UHFFFAOYSA-N 0 0 323.396 3.481 20 10 DGCDRN CC(C)C[C@H](C)OCCc1nc(Cc2ccc(N)cc2)no1 ZINC000843161923 630623832 /nfs/dbraw/zinc/62/38/32/630623832.db2.gz RBRPWGYPOPJWAA-ZDUSSCGKSA-N 0 0 303.406 3.236 20 10 DGCDRN C[C@@H]1C[C@@H]1c1noc(-c2csc(Cc3ccc(N)cc3)n2)n1 ZINC000843189735 630630877 /nfs/dbraw/zinc/63/08/77/630630877.db2.gz CBIAYQJNLOERKX-SKDRFNHKSA-N 0 0 312.398 3.490 20 10 DGCDRN C[C@@]1(Cc2noc(Cc3ccc(N)cc3)n2)CC1(Cl)Cl ZINC000843239150 630637737 /nfs/dbraw/zinc/63/77/37/630637737.db2.gz FDUSONIHKUGKKZ-CYBMUJFWSA-N 0 0 312.200 3.369 20 10 DGCDRN Cc1cc(O)c(CN2CCc3cc(Cl)nnc3C2)c(Cl)c1 ZINC000843415096 630653695 /nfs/dbraw/zinc/65/36/95/630653695.db2.gz CFRNFGHDNPEJFC-UHFFFAOYSA-N 0 0 324.211 3.356 20 10 DGCDRN OC[C@@H]1CCCN(Cc2cc(Cl)ccc2O)[C@@H]1C(F)(F)F ZINC000843413411 630653713 /nfs/dbraw/zinc/65/37/13/630653713.db2.gz IBRMTTMBSCDBAJ-ZANVPECISA-N 0 0 323.742 3.181 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CCCC[C@@H]2C2CCC2)ccc1[N+](=O)[O-] ZINC000843437536 630659286 /nfs/dbraw/zinc/65/92/86/630659286.db2.gz KGRNAHGZCKUDTH-CQSZACIVSA-N 0 0 320.389 3.464 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]C[C@H](CC2CC2)C(=O)[O-])cc1F ZINC000844295025 630716298 /nfs/dbraw/zinc/71/62/98/630716298.db2.gz YPVFGWGJVYDSHE-HNNXBMFYSA-N 0 0 322.424 3.262 20 10 DGCDRN COc1ccc(N(C)CC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 ZINC000844353561 630720694 /nfs/dbraw/zinc/72/06/94/630720694.db2.gz YOIQGXHKBQIRAA-UHFFFAOYSA-N 0 0 314.385 3.162 20 10 DGCDRN CCc1ccc(CNC(=O)CN(C)c2ccc(OC)cc2)s1 ZINC000844353178 630720719 /nfs/dbraw/zinc/72/07/19/630720719.db2.gz QAONFYUNDBNOGS-UHFFFAOYSA-N 0 0 318.442 3.072 20 10 DGCDRN CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000844378712 630723060 /nfs/dbraw/zinc/72/30/60/630723060.db2.gz LUZQAJNOBXRZQM-MEBBXXQBSA-N 0 0 313.825 3.135 20 10 DGCDRN COc1ccc(N(C)CCN(C)Cc2nccn2C(C)C)cc1 ZINC000844401386 630724864 /nfs/dbraw/zinc/72/48/64/630724864.db2.gz MYFCNAIYOXZPCU-UHFFFAOYSA-N 0 0 316.449 3.041 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c1[O-] ZINC000844470442 630733001 /nfs/dbraw/zinc/73/30/01/630733001.db2.gz HWTSIFOFJNZXAI-AWEZNQCLSA-N 0 0 315.747 3.479 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)Nc1cnc(C2CC2)nc1 ZINC000844532443 630737870 /nfs/dbraw/zinc/73/78/70/630737870.db2.gz SWKDIKLVIVNPSJ-UHFFFAOYSA-N 0 0 318.764 3.035 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)C2CCCCC2)cc1 ZINC000844851908 630943086 /nfs/dbraw/zinc/94/30/86/630943086.db2.gz LBCKCSQFXPVPDW-UHFFFAOYSA-N 0 0 304.434 3.170 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CC[C@@H](C)C2)cc1 ZINC000844856258 630945614 /nfs/dbraw/zinc/94/56/14/630945614.db2.gz MLXVLGPHAPJDDN-HUUCEWRRSA-N 0 0 304.434 3.026 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)C[C@@H]2CC[C@H]3C[C@H]32)cc1 ZINC000844856864 630947384 /nfs/dbraw/zinc/94/73/84/630947384.db2.gz NYVFELYPTFAMOA-RLFYNMQTSA-N 0 0 316.445 3.026 20 10 DGCDRN COC[C@H](C)Cc1noc(-c2ccc(-n3cccc3)c(F)c2)n1 ZINC000844880699 630960813 /nfs/dbraw/zinc/96/08/13/630960813.db2.gz LZMOUOODVKILIR-GFCCVEGCSA-N 0 0 315.348 3.491 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)NCC(C1CC1)C1CC1 ZINC000845018425 631037059 /nfs/dbraw/zinc/03/70/59/631037059.db2.gz SQTKZGOSCOSODC-UHFFFAOYSA-N 0 0 308.809 3.281 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)N[C@H](C1CC1)C1CCC1 ZINC000845250995 631156350 /nfs/dbraw/zinc/15/63/50/631156350.db2.gz JBBTXUOUTFPTEL-HNNXBMFYSA-N 0 0 308.809 3.424 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCC[C@]1(C)C[C@@]1(F)Cl ZINC000845411361 631172741 /nfs/dbraw/zinc/17/27/41/631172741.db2.gz ANVCQHSOPYGSKQ-CABCVRRESA-N 0 0 314.788 3.238 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)COCC1CC1 ZINC000845581267 631182083 /nfs/dbraw/zinc/18/20/83/631182083.db2.gz VTMUJLAUZJPAAI-AWEZNQCLSA-N 0 0 320.433 3.129 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@@H](OC(C)C)C2)cc1OC ZINC000845640120 631184824 /nfs/dbraw/zinc/18/48/24/631184824.db2.gz USOYMLPALXBTBK-GFCCVEGCSA-N 0 0 324.377 3.006 20 10 DGCDRN CC(C)C[N@H+](C)CCC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000845995828 631205086 /nfs/dbraw/zinc/20/50/86/631205086.db2.gz HDTLPPBSWIHMNV-UHFFFAOYSA-N 0 0 302.821 3.252 20 10 DGCDRN COCCOc1cccc(CN(C)c2ccc(OC)cc2)c1 ZINC000845999666 631205255 /nfs/dbraw/zinc/20/52/55/631205255.db2.gz XKIVJASICGADGQ-UHFFFAOYSA-N 0 0 301.386 3.357 20 10 DGCDRN C[C@H](O)[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccccc1F ZINC000846015608 631205990 /nfs/dbraw/zinc/20/59/90/631205990.db2.gz CROKFUOURWIXEI-SGTLLEGYSA-N 0 0 320.383 3.243 20 10 DGCDRN Cc1cc(C[N@@H+](C)C[C@@H](C)C(=O)[O-])ccc1N1CCCCC1 ZINC000846224887 631215604 /nfs/dbraw/zinc/21/56/04/631215604.db2.gz BZAIIZHVUZPXKP-OAHLLOKOSA-N 0 0 304.434 3.138 20 10 DGCDRN Cc1cc(C[NH2+][C@@H](C)[C@H](C)C(=O)[O-])ccc1N1CCCCC1 ZINC000846228777 631215919 /nfs/dbraw/zinc/21/59/19/631215919.db2.gz OTQDKNNAUDQAGD-GJZGRUSLSA-N 0 0 304.434 3.184 20 10 DGCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CC3(CC3)C2)CCCC1 ZINC000846233140 631216097 /nfs/dbraw/zinc/21/60/97/631216097.db2.gz ZBYLCWOXLKIRSJ-UHFFFAOYSA-N 0 0 324.424 3.151 20 10 DGCDRN Cc1cc(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])ccc1N(C)C ZINC000846265610 631218323 /nfs/dbraw/zinc/21/83/23/631218323.db2.gz NGAJROZYFLUSHT-NXHRZFHOSA-N 0 0 316.445 3.279 20 10 DGCDRN CCOC(=O)C[C@@H](CNC(=O)Nc1ccc(N)cc1)CC(C)C ZINC000846311473 631226050 /nfs/dbraw/zinc/22/60/50/631226050.db2.gz WCOPQKWAYAKHAD-ZDUSSCGKSA-N 0 0 321.421 3.006 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1cc2c(s1)CCOC2 ZINC000846472031 631248606 /nfs/dbraw/zinc/24/86/06/631248606.db2.gz FKSSFZCNXOUAJY-UHFFFAOYSA-N 0 0 323.801 3.110 20 10 DGCDRN CC[C@H](C)n1nc(C(=O)NCc2cc(Cl)ccc2O)cc1C ZINC000846473214 631249828 /nfs/dbraw/zinc/24/98/28/631249828.db2.gz KIKJKPGZMXRBGO-JTQLQIEISA-N 0 0 321.808 3.452 20 10 DGCDRN C[C@H](CC(=O)NCc1cc(Cl)ccc1O)c1cccnc1 ZINC000846476709 631250393 /nfs/dbraw/zinc/25/03/93/631250393.db2.gz OVLKKBXTVNFOJH-LLVKDONJSA-N 0 0 304.777 3.251 20 10 DGCDRN CO[C@H]1CCC[C@H](CC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846474677 631250553 /nfs/dbraw/zinc/25/05/53/631250553.db2.gz ZCWVYOCRSMVSRV-FZMZJTMJSA-N 0 0 311.809 3.257 20 10 DGCDRN Cc1[nH]nc(C(C)C)c1C(=O)NCc1cc(Cl)ccc1O ZINC000846474880 631250695 /nfs/dbraw/zinc/25/06/95/631250695.db2.gz COXQHDYCUHJUAS-UHFFFAOYSA-N 0 0 307.781 3.131 20 10 DGCDRN C[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)CCc2ccccc21 ZINC000846515843 631254136 /nfs/dbraw/zinc/25/41/36/631254136.db2.gz FHLVKLNGXKCWHK-IUCKJTJTSA-N 0 0 323.392 3.299 20 10 DGCDRN Cc1cc(C(=O)N2CCC[C@@H](F)C2)c(C)n1-c1ccccn1 ZINC000846631357 631276646 /nfs/dbraw/zinc/27/66/46/631276646.db2.gz RZBKAPRNZXMTQG-CQSZACIVSA-N 0 0 301.365 3.063 20 10 DGCDRN Cc1ccc2c(c1)N[C@@H](c1ccc3c(c1)CCCN3C)NC2=O ZINC000846758313 631296882 /nfs/dbraw/zinc/29/68/82/631296882.db2.gz BDKJMNGSVGIQCQ-GOSISDBHSA-N 0 0 307.397 3.232 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C[C@H]2OCc3ccccc32)cc1 ZINC000846783673 631304129 /nfs/dbraw/zinc/30/41/29/631304129.db2.gz CCBGISOLDYARPM-GOSISDBHSA-N 0 0 310.397 3.030 20 10 DGCDRN COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)o1 ZINC000846803329 631310736 /nfs/dbraw/zinc/31/07/36/631310736.db2.gz ZBZNHUXVBJVSIE-UHFFFAOYSA-N 0 0 314.385 3.159 20 10 DGCDRN C/C(=C/c1cccnc1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000846843218 631325066 /nfs/dbraw/zinc/32/50/66/631325066.db2.gz NEYIRYPWWOOAKI-PTNGSMBKSA-N 0 0 321.424 3.184 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@H]1OCc2ccccc21 ZINC000846876390 631336418 /nfs/dbraw/zinc/33/64/18/631336418.db2.gz REQHMIYYQRNXNA-LJQANCHMSA-N 0 0 324.424 3.339 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C(C)=C/c1cccnc1)C[C@H](C)O2 ZINC000846888208 631340880 /nfs/dbraw/zinc/34/08/80/631340880.db2.gz GUYLULXEYVLJBL-SSUFTNFISA-N 0 0 324.380 3.308 20 10 DGCDRN C/C(=C/c1ccco1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000846898545 631346065 /nfs/dbraw/zinc/34/60/65/631346065.db2.gz GZXQBAWPZSPMNB-QBFSEMIESA-N 0 0 312.369 3.175 20 10 DGCDRN C[C@@H](NC(=O)c1ccn(C(C)(C)C)n1)c1ccc(N(C)C)cc1 ZINC000846976574 631371860 /nfs/dbraw/zinc/37/18/60/631371860.db2.gz GTUOPSBDSWTTGQ-CYBMUJFWSA-N 0 0 314.433 3.195 20 10 DGCDRN CC(C)[C@H](C)NC(=O)CN(C)c1ccc(-c2nccs2)cc1 ZINC000846991366 631375188 /nfs/dbraw/zinc/37/51/88/631375188.db2.gz JPRTUZHYCDNXDY-ZDUSSCGKSA-N 0 0 317.458 3.407 20 10 DGCDRN C[C@H](NC(=O)NCc1ccccc1O)C1CCC(F)(F)CC1 ZINC000847303135 631456670 /nfs/dbraw/zinc/45/66/70/631456670.db2.gz USGQDPWXADRYOF-NSHDSACASA-N 0 0 312.360 3.405 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C(CC)(CC)CO)cc1F ZINC000847475095 631480390 /nfs/dbraw/zinc/48/03/90/631480390.db2.gz CLTUCAQRVSUQDO-UHFFFAOYSA-N 0 0 324.440 3.087 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)Cc1c[nH]cn1 ZINC000848046764 631603486 /nfs/dbraw/zinc/60/34/86/631603486.db2.gz ZHWKVTATWXDUQM-AWEZNQCLSA-N 0 0 315.417 3.123 20 10 DGCDRN CCOc1cccc(C[NH2+]Cc2cccc(C)c2OC)c1O ZINC000848562440 631693928 /nfs/dbraw/zinc/69/39/28/631693928.db2.gz DIRVNIYEIIHQLQ-UHFFFAOYSA-N 0 0 301.386 3.398 20 10 DGCDRN CC[C@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1cccc(Cl)c1[O-] ZINC000848574322 631700459 /nfs/dbraw/zinc/70/04/59/631700459.db2.gz RTWRPKBDGUCXDE-FZMZJTMJSA-N 0 0 324.808 3.070 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc3[nH]ccc3c2)c1 ZINC000107767635 631727305 /nfs/dbraw/zinc/72/73/05/631727305.db2.gz SBKXTRRXFJZCGU-NSHDSACASA-N 0 0 310.353 3.373 20 10 DGCDRN CCc1cccc(CN(C)[C@@H](C(=O)OC)c2ccccc2)c1O ZINC000848887263 631772519 /nfs/dbraw/zinc/77/25/19/631772519.db2.gz ROUFASVICCDYAS-QGZVFWFLSA-N 0 0 313.397 3.301 20 10 DGCDRN C[C@H]1C[C@H](C)CN(C(=O)CSc2ncc(Cl)s2)C1 ZINC000849998932 632025050 /nfs/dbraw/zinc/02/50/50/632025050.db2.gz UMOJGVXNLWOMNS-IUCAKERBSA-N 0 0 304.868 3.393 20 10 DGCDRN CCCN(CCC)c1ccc(CNCc2cn(CC)nn2)cc1 ZINC000850366417 632127208 /nfs/dbraw/zinc/12/72/08/632127208.db2.gz ZYPXQCVFLKXAOA-UHFFFAOYSA-N 0 0 315.465 3.214 20 10 DGCDRN CCSC1(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000850394288 632137588 /nfs/dbraw/zinc/13/75/88/632137588.db2.gz OTKRYARDPOALOD-UHFFFAOYSA-N 0 0 316.810 3.329 20 10 DGCDRN C[C@@H]([NH2+]Cc1cccnc1N1CCCC1)c1ccc(F)cc1[O-] ZINC000850502016 632173199 /nfs/dbraw/zinc/17/31/99/632173199.db2.gz RGTFWAXVMWIJSB-CYBMUJFWSA-N 0 0 315.392 3.377 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1)c1ccc(Cl)cc1[O-] ZINC000850501352 632173498 /nfs/dbraw/zinc/17/34/98/632173498.db2.gz AJUGCRBCDVZJAI-YBQGDOTASA-N 0 0 315.866 3.386 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000850515423 632176580 /nfs/dbraw/zinc/17/65/80/632176580.db2.gz KUIIDNMLKAZXLM-ZJUUUORDSA-N 0 0 303.324 3.223 20 10 DGCDRN CCn1cc(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])nn1 ZINC000850522269 632178371 /nfs/dbraw/zinc/17/83/71/632178371.db2.gz KUWNKNWWZHCJHN-QMMMGPOBSA-N 0 0 315.204 3.161 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccc(Cl)c(Cl)c1[O-] ZINC000850548235 632188935 /nfs/dbraw/zinc/18/89/35/632188935.db2.gz ZWMMLCWCMUZTIG-KWQFWETISA-N 0 0 317.216 3.018 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(Cl)cc1[O-] ZINC000850555925 632192020 /nfs/dbraw/zinc/19/20/20/632192020.db2.gz JYJCMTMCUKISCO-VXGBXAGGSA-N 0 0 324.852 3.343 20 10 DGCDRN Nc1ccc(NC(=O)N2CCC[C@H]([C@@H]3CCCCO3)C2)cc1 ZINC000850750977 632214831 /nfs/dbraw/zinc/21/48/31/632214831.db2.gz RPLFLBMNLHDINC-BBRMVZONSA-N 0 0 303.406 3.082 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)cc1 ZINC000851098955 632310060 /nfs/dbraw/zinc/31/00/60/632310060.db2.gz MFZOHDVGWDHECW-WCVJEAGWSA-N 0 0 315.413 3.111 20 10 DGCDRN CC(C)(F)CCNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000851643857 632465236 /nfs/dbraw/zinc/46/52/36/632465236.db2.gz FRGDGEGMFQOIMS-UHFFFAOYSA-N 0 0 321.421 3.184 20 10 DGCDRN Nc1ccc(CC(=O)N(Cc2ccccc2F)CC2CC2)cc1 ZINC000851646047 632466233 /nfs/dbraw/zinc/46/62/33/632466233.db2.gz UNVPCEYFYQDSEZ-UHFFFAOYSA-N 0 0 312.388 3.389 20 10 DGCDRN CCN(CC[C@@H]1COC(C)(C)O1)c1ccc(OC)c(OC)c1 ZINC000851828276 632505045 /nfs/dbraw/zinc/50/50/45/632505045.db2.gz PHJZKWQHHKFCBS-CQSZACIVSA-N 0 0 309.406 3.072 20 10 DGCDRN Oc1ccccc1C[N@H+](CCO[C@@H]1CC1(F)F)Cc1ccco1 ZINC000851841095 632507015 /nfs/dbraw/zinc/50/70/15/632507015.db2.gz MZDWTTJIRZQCFK-MRXNPFEDSA-N 0 0 323.339 3.412 20 10 DGCDRN CCC[C@@H](CC)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852024811 632541468 /nfs/dbraw/zinc/54/14/68/632541468.db2.gz NPXLPRGQGUISIH-HUUCEWRRSA-N 0 0 319.449 3.152 20 10 DGCDRN CCC(CC)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852068992 632548964 /nfs/dbraw/zinc/54/89/64/632548964.db2.gz SWSHZUYXFMVWMU-OAHLLOKOSA-N 0 0 319.449 3.009 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[NH2+]C2(CCO)CCCC2)c1[O-] ZINC000852118096 632558164 /nfs/dbraw/zinc/55/81/64/632558164.db2.gz DZTQVSIISRHWKW-UHFFFAOYSA-N 0 0 311.809 3.033 20 10 DGCDRN C[C@@H](NC(=O)NC[C@]1(C)CC1(F)F)c1ccc(N(C)C)cc1 ZINC000852261264 632577990 /nfs/dbraw/zinc/57/79/90/632577990.db2.gz OMWUCOZJVZUHJI-ABAIWWIYSA-N 0 0 311.376 3.158 20 10 DGCDRN C[C@@H](NC(=O)N1CC[C@@H](C)O[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000852261288 632578039 /nfs/dbraw/zinc/57/80/39/632578039.db2.gz OZBPTZNTHYKYEA-QLFBSQMISA-N 0 0 319.449 3.023 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCC(C)(C)F ZINC000852384545 632598161 /nfs/dbraw/zinc/59/81/61/632598161.db2.gz DINXSOHLAWZHDB-CQSZACIVSA-N 0 0 323.456 3.429 20 10 DGCDRN C[C@H]([NH2+]CCN(C)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000185111387 660202083 /nfs/dbraw/zinc/20/20/83/660202083.db2.gz AJIVYVHCPXMZHG-AWEZNQCLSA-N 0 0 302.393 3.314 20 10 DGCDRN O=C(c1ccccn1)N(Cc1ccco1)Cc1ccccc1O ZINC000072622108 660206459 /nfs/dbraw/zinc/20/64/59/660206459.db2.gz SLSPZHIBGNRREE-UHFFFAOYSA-N 0 0 308.337 3.223 20 10 DGCDRN CN(Cc1nc(CCc2ccccc2)no1)Cc1ccccc1O ZINC000072629627 660206923 /nfs/dbraw/zinc/20/69/23/660206923.db2.gz FSMLGKFLGZFGAS-UHFFFAOYSA-N 0 0 323.396 3.192 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(Cl)cc2O)cc1 ZINC000072748035 660217050 /nfs/dbraw/zinc/21/70/50/660217050.db2.gz CIWAQZLRJKGSHV-UHFFFAOYSA-N 0 0 318.804 3.384 20 10 DGCDRN Cc1cc(C(=O)N(C)c2nccs2)c(C)n1-c1ccccn1 ZINC000068451602 659953634 /nfs/dbraw/zinc/95/36/34/659953634.db2.gz IYHXGWULLQJHNK-UHFFFAOYSA-N 0 0 312.398 3.222 20 10 DGCDRN CCc1ccc([C@@H]2COCCN2Cc2cc(F)ccc2O)o1 ZINC000180166250 659953790 /nfs/dbraw/zinc/95/37/90/659953790.db2.gz AZIGTJSNOCLSOG-HNNXBMFYSA-N 0 0 305.349 3.260 20 10 DGCDRN C[C@@H]1CCCCN(C(=O)NCCCSc2nccs2)C1 ZINC000185648759 660235484 /nfs/dbraw/zinc/23/54/84/660235484.db2.gz QKEPRYQXDNZYIV-GFCCVEGCSA-N 0 0 313.492 3.457 20 10 DGCDRN COc1ccc([C@H](C)CCNC(=O)c2cccc(O)c2O)cc1 ZINC000185731631 660237647 /nfs/dbraw/zinc/23/76/47/660237647.db2.gz ILKMLCOVSZWTER-GFCCVEGCSA-N 0 0 315.369 3.030 20 10 DGCDRN COc1ccc([C@@H](C)CCNC(=O)c2cccc(O)c2O)cc1 ZINC000185731617 660237659 /nfs/dbraw/zinc/23/76/59/660237659.db2.gz ILKMLCOVSZWTER-LBPRGKRZSA-N 0 0 315.369 3.030 20 10 DGCDRN Cc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)c(C)c(C)c1O ZINC000185759178 660240268 /nfs/dbraw/zinc/24/02/68/660240268.db2.gz VWNDSVYMSRZMPE-FNORWQNLSA-N 0 0 313.353 3.381 20 10 DGCDRN C[C@@H]([NH2+]CCNC(=O)CC1CCCCC1)c1ccc(F)cc1[O-] ZINC000186033079 660262087 /nfs/dbraw/zinc/26/20/87/660262087.db2.gz LREHCPWRBBJUQL-CYBMUJFWSA-N 0 0 322.424 3.269 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000044684729 661862586 /nfs/dbraw/zinc/86/25/86/661862586.db2.gz FOTXROZRYPWLMY-NSHDSACASA-N 0 0 301.217 3.025 20 10 DGCDRN COc1cccc2cc(C(=O)NCc3ccc(N(C)C)cc3)oc21 ZINC000073896481 660574193 /nfs/dbraw/zinc/57/41/93/660574193.db2.gz UEYUYXCOQBOTDI-UHFFFAOYSA-N 0 0 324.380 3.437 20 10 DGCDRN COC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000186776242 660574242 /nfs/dbraw/zinc/57/42/42/660574242.db2.gz LWBSPINMLFKSGD-VXGBXAGGSA-N 0 0 324.396 3.049 20 10 DGCDRN C[C@@H]1[C@@H](C)CCCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000073915406 660574893 /nfs/dbraw/zinc/57/48/93/660574893.db2.gz WXEVLDLZPVIOLR-QWHCGFSZSA-N 0 0 307.413 3.222 20 10 DGCDRN CC(C)Oc1cccc([C@@H](C)NC(=O)c2cccc(O)c2O)c1 ZINC000186944263 660598093 /nfs/dbraw/zinc/59/80/93/660598093.db2.gz JOGNAQMJYJGNFM-GFCCVEGCSA-N 0 0 315.369 3.376 20 10 DGCDRN COc1cccc(CNC(=O)NCCCCC(C)(C)C)c1O ZINC000074094015 660635685 /nfs/dbraw/zinc/63/56/85/660635685.db2.gz FSYKUDGKPYHEDM-UHFFFAOYSA-N 0 0 308.422 3.416 20 10 DGCDRN CCc1nnc(NCc2c(O)cccc2Br)s1 ZINC000706829119 660874157 /nfs/dbraw/zinc/87/41/57/660874157.db2.gz LFJRPDBBNPQNLL-UHFFFAOYSA-N 0 0 314.208 3.181 20 10 DGCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Br)c2[O-])CO1 ZINC000708114984 660918144 /nfs/dbraw/zinc/91/81/44/660918144.db2.gz QQQHOMVCAZQMGD-GMSGAONNSA-N 0 0 320.614 3.075 20 10 DGCDRN CC(C)[C@H]1CN(Cc2cc(Br)ccc2O)CCO1 ZINC000709029839 660923534 /nfs/dbraw/zinc/92/35/34/660923534.db2.gz ORYJBMSINZOKEE-CQSZACIVSA-N 0 0 314.223 3.012 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CC(C3CCCC3)C2)cc1 ZINC000792793804 660985103 /nfs/dbraw/zinc/98/51/03/660985103.db2.gz VGWPJXASZZWQOP-UHFFFAOYSA-N 0 0 301.434 3.084 20 10 DGCDRN C[C@@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)[C@H](C)CO1 ZINC000792793583 660985121 /nfs/dbraw/zinc/98/51/21/660985121.db2.gz GHQYUBZJEWBFQL-VXGBXAGGSA-N 0 0 316.367 3.381 20 10 DGCDRN C[C@H]1OCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)[C@@H]1C ZINC000792822273 660986460 /nfs/dbraw/zinc/98/64/60/660986460.db2.gz JNLWGFJDSIMINB-VXGBXAGGSA-N 0 0 316.367 3.381 20 10 DGCDRN C[C@@H]1OCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)[C@H]1C ZINC000792822272 660986489 /nfs/dbraw/zinc/98/64/89/660986489.db2.gz JNLWGFJDSIMINB-RYUDHWBXSA-N 0 0 316.367 3.381 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC(F)(F)CC1 ZINC000792837555 660987707 /nfs/dbraw/zinc/98/77/07/660987707.db2.gz BTGWQDOYSNHXMR-UHFFFAOYSA-N 0 0 323.387 3.228 20 10 DGCDRN CC[C@@H](NC(=O)NCc1ccc(OC)cc1O)c1ccccc1 ZINC000792945363 660996041 /nfs/dbraw/zinc/99/60/41/660996041.db2.gz AGZHIAFLOSIYHH-MRXNPFEDSA-N 0 0 314.385 3.351 20 10 DGCDRN COc1ccc(CNC(=O)N[C@H](C)C2CCCCC2)c(O)c1 ZINC000792954846 660997030 /nfs/dbraw/zinc/99/70/30/660997030.db2.gz CGAQLNTYRRRZDG-GFCCVEGCSA-N 0 0 306.406 3.169 20 10 DGCDRN COc1ccc(CNC(=O)N[C@H]2C[C@@H]2C2CCCCC2)c(O)c1 ZINC000792962086 660997037 /nfs/dbraw/zinc/99/70/37/660997037.db2.gz XEHJRXSFZAEIQM-CVEARBPZSA-N 0 0 318.417 3.169 20 10 DGCDRN CCN(CC1CCC1)C(=O)NCc1ccc(N(C)C)cc1C ZINC000793027600 661000792 /nfs/dbraw/zinc/00/07/92/661000792.db2.gz SWGQVIZTCHIZSS-UHFFFAOYSA-N 0 0 303.450 3.393 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c(O)c1 ZINC000793058788 661002664 /nfs/dbraw/zinc/00/26/64/661002664.db2.gz MNFKUSGXNPNMQA-UMVBOHGHSA-N 0 0 318.417 3.169 20 10 DGCDRN CCNC(=O)N(C)c1cccc(NCc2cccc(C)c2O)c1 ZINC000793318131 661023853 /nfs/dbraw/zinc/02/38/53/661023853.db2.gz PWISKWFVONGUSP-UHFFFAOYSA-N 0 0 313.401 3.478 20 10 DGCDRN Cc1ccncc1C[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000793342359 661025486 /nfs/dbraw/zinc/02/54/86/661025486.db2.gz ZKOMFYGNELLJJF-UHFFFAOYSA-N 0 0 321.764 3.289 20 10 DGCDRN CO[C@@H]1CCC[C@@H](CC(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000793512170 661040009 /nfs/dbraw/zinc/04/00/09/661040009.db2.gz AHNVGFVNRSQUEC-CRAIPNDOSA-N 0 0 318.461 3.273 20 10 DGCDRN CC[C@H](C)CC[C@@H](O)CC(=O)NCc1ccc(N(C)C)cc1C ZINC000793517954 661040477 /nfs/dbraw/zinc/04/04/77/661040477.db2.gz YLBUCLWAVRSDPW-KBXCAEBGSA-N 0 0 320.477 3.255 20 10 DGCDRN COc1ccc(O)c([C@H](C)Nc2ccc3ccn(C)c(=O)c3c2)c1 ZINC000793562732 661046333 /nfs/dbraw/zinc/04/63/33/661046333.db2.gz BCHHDJXVUXSDSL-LBPRGKRZSA-N 0 0 324.380 3.426 20 10 DGCDRN COc1ccc(CNC(=O)c2cc(C)nc3ccccc32)c(O)c1 ZINC000794386863 661082300 /nfs/dbraw/zinc/08/23/00/661082300.db2.gz DCAFWUAGQYWJAJ-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN COc1ccc(CNC(=O)c2cccc(F)c2Cl)c(O)c1 ZINC000794391426 661082536 /nfs/dbraw/zinc/08/25/36/661082536.db2.gz XEOWRLPKDVPZNW-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN COc1ccc(CNC(=O)/C=C/c2ccccc2Cl)c(O)c1 ZINC000794389430 661082539 /nfs/dbraw/zinc/08/25/39/661082539.db2.gz NTYXCYGEQUZJHV-VQHVLOKHSA-N 0 0 317.772 3.384 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@H]2CC[C@H](C(F)(F)F)C2)cc1 ZINC000794618507 661094008 /nfs/dbraw/zinc/09/40/08/661094008.db2.gz IXTNSIJSWJEKMN-STQMWFEESA-N 0 0 314.351 3.347 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)cc1 ZINC000794618506 661094275 /nfs/dbraw/zinc/09/42/75/661094275.db2.gz IXTNSIJSWJEKMN-QWHCGFSZSA-N 0 0 314.351 3.347 20 10 DGCDRN COc1ccc(CNC(=O)Nc2ccc(F)cc2F)c(O)c1 ZINC000794760299 661104444 /nfs/dbraw/zinc/10/44/44/661104444.db2.gz NDTHJRSKIFEISC-UHFFFAOYSA-N 0 0 308.284 3.001 20 10 DGCDRN COc1ccc(CNC(=O)Nc2ccc(Cl)cc2)c(O)c1 ZINC000794760224 661104447 /nfs/dbraw/zinc/10/44/47/661104447.db2.gz JVEGWVLILBBFDH-UHFFFAOYSA-N 0 0 306.749 3.376 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCC(F)(F)C1 ZINC000794928656 661114003 /nfs/dbraw/zinc/11/40/03/661114003.db2.gz YRBBDINLOCTGHT-AWEZNQCLSA-N 0 0 308.372 3.338 20 10 DGCDRN CCOC(=O)/C(=C\c1ccc2c(c1)CCN2C)c1ncccc1C ZINC000794955379 661116305 /nfs/dbraw/zinc/11/63/05/661116305.db2.gz XKUVICRSRPZGJA-LGMDPLHJSA-N 0 0 322.408 3.486 20 10 DGCDRN CN1CCCc2cc(CNC(=O)[C@@H]3CCC(F)(F)C3)ccc21 ZINC000795056552 661124679 /nfs/dbraw/zinc/12/46/79/661124679.db2.gz QPNDAXJRKFFBAK-CQSZACIVSA-N 0 0 308.372 3.121 20 10 DGCDRN CC(C)(C)OCCCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000795204837 661133232 /nfs/dbraw/zinc/13/32/32/661133232.db2.gz RKVKZHZOIORENW-UHFFFAOYSA-N 0 0 318.461 3.498 20 10 DGCDRN Cc1ncc(/C=C\C(=O)N2C[C@H](C)Oc3cc(F)ccc32)s1 ZINC000254986567 655554326 /nfs/dbraw/zinc/55/43/26/655554326.db2.gz TZLSYPDHNCXAKY-OAQKJQOQSA-N 0 0 318.373 3.418 20 10 DGCDRN Cc1cncc(/C=C\C(=O)N2CCN(C)c3ccc(F)cc32)c1 ZINC000255122176 655604680 /nfs/dbraw/zinc/60/46/80/655604680.db2.gz HRECHVNSCKSDQE-UTCJRWHESA-N 0 0 311.360 3.025 20 10 DGCDRN CCCc1cc(C(=O)NCCc2ccc(O)c(O)c2)sc1C ZINC000121181856 655632838 /nfs/dbraw/zinc/63/28/38/655632838.db2.gz QRCJIBCIPSLRKP-UHFFFAOYSA-N 0 0 319.426 3.393 20 10 DGCDRN O=C(/C=C\c1cccnc1)N1CCCc2c(F)ccc(F)c21 ZINC000255195645 655636917 /nfs/dbraw/zinc/63/69/17/655636917.db2.gz YUMMMDABFLLSQI-YVMONPNESA-N 0 0 300.308 3.352 20 10 DGCDRN C[C@@H]([NH2+]Cc1cncn1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000289655124 655647663 /nfs/dbraw/zinc/64/76/63/655647663.db2.gz GKQORMIUTKBXJU-CQSZACIVSA-N 0 0 316.424 3.400 20 10 DGCDRN CC[C@@H]1CN(C(=O)/C=C\c2cncc(F)c2)c2ccccc2O1 ZINC000255228096 655660449 /nfs/dbraw/zinc/66/04/49/655660449.db2.gz QWWFODWDBYKNKP-ZPIQOJFGSA-N 0 0 312.344 3.438 20 10 DGCDRN C[C@@H]([NH2+]Cc1cncn1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000289980713 655691380 /nfs/dbraw/zinc/69/13/80/655691380.db2.gz XXNBXMGVYWMXRQ-MRVPVSSYSA-N 0 0 300.189 3.283 20 10 DGCDRN C[C@H]1CN(C)c2ccccc2N(C(=O)/C=C\c2cccnc2)C1 ZINC000255291003 655687384 /nfs/dbraw/zinc/68/73/84/655687384.db2.gz ZLIZWKQDPIMNHL-KVPUOBJLSA-N 0 0 307.397 3.214 20 10 DGCDRN C[C@@H]([NH2+]Cc1cncn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000289931258 655687905 /nfs/dbraw/zinc/68/79/05/655687905.db2.gz VLTQKFDYEOWNDS-MRVPVSSYSA-N 0 0 300.189 3.283 20 10 DGCDRN c1nnc(NCc2ccc3c(c2)CCN3Cc2ccccc2)o1 ZINC000795796973 661173028 /nfs/dbraw/zinc/17/30/28/661173028.db2.gz QOAGWOLZCKFJQM-UHFFFAOYSA-N 0 0 306.369 3.244 20 10 DGCDRN COc1ccc(N(Cc2ccccc2)C[C@H](O)CSC)cc1 ZINC000187949595 655690159 /nfs/dbraw/zinc/69/01/59/655690159.db2.gz SIPDETWCNXLZEX-KRWDZBQOSA-N 0 0 317.454 3.426 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)/C=C\c2cccs2)c1 ZINC000255364006 655708832 /nfs/dbraw/zinc/70/88/32/655708832.db2.gz NDLFVEXVCGNJMH-JYKYSHPRSA-N 0 0 303.383 3.353 20 10 DGCDRN CCc1ncc(C(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000065105888 655738107 /nfs/dbraw/zinc/73/81/07/655738107.db2.gz QDHPRJHGIAADOR-UHFFFAOYSA-N 0 0 303.431 3.044 20 10 DGCDRN COc1ncc(Cl)c(NCc2ccc(N3CCCC3)cc2)n1 ZINC000178416224 655738937 /nfs/dbraw/zinc/73/89/37/655738937.db2.gz MMQQBRKNHPXDRC-UHFFFAOYSA-N 0 0 318.808 3.351 20 10 DGCDRN Cc1cc(C(=O)NCc2cncn2C)c(C)n1-c1ccccc1C ZINC000291314100 655749061 /nfs/dbraw/zinc/74/90/61/655749061.db2.gz UDUCWPCSOCRHRD-UHFFFAOYSA-N 0 0 322.412 3.066 20 10 DGCDRN C[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)[C@H]1C ZINC000178562507 655772839 /nfs/dbraw/zinc/77/28/39/655772839.db2.gz CWYZXHYYTOIFNT-CABCVRRESA-N 0 0 301.434 3.227 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2cc(C)c(F)c(C)c2)c1 ZINC000158444509 655781511 /nfs/dbraw/zinc/78/15/11/655781511.db2.gz GDNDJKKWGBRHFH-UHFFFAOYSA-N 0 0 303.333 3.087 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@@H](C)c2c(F)cccc2F)c1 ZINC000158446391 655781665 /nfs/dbraw/zinc/78/16/65/655781665.db2.gz MQMISDXERNCTEO-JTQLQIEISA-N 0 0 321.323 3.099 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCC(C)(C)CCO ZINC000178602789 655783527 /nfs/dbraw/zinc/78/35/27/655783527.db2.gz XANHETIZPBWMAD-UHFFFAOYSA-N 0 0 320.458 3.294 20 10 DGCDRN C[C@H](NC(=O)C[C@@H]1C=CCC1)c1ccc(N2CCOCC2)cc1 ZINC000065561109 655784711 /nfs/dbraw/zinc/78/47/11/655784711.db2.gz AZVDVOBXPJUUPF-JKSUJKDBSA-N 0 0 314.429 3.057 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(OC)c1 ZINC000052851230 655845357 /nfs/dbraw/zinc/84/53/57/655845357.db2.gz QWTNDDXYZOJWJJ-UHFFFAOYSA-N 0 0 312.413 3.424 20 10 DGCDRN CCCCO[C@@H](C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000075159572 655851796 /nfs/dbraw/zinc/85/17/96/655851796.db2.gz CGJVZGSVGNVVOK-ZDUSSCGKSA-N 0 0 305.418 3.092 20 10 DGCDRN Cc1cc(C(=O)N(C)CC(C)(C)O)c(C)n1-c1ccccc1C ZINC000176897832 655862980 /nfs/dbraw/zinc/86/29/80/655862980.db2.gz VSAXDZPKZHOJJB-UHFFFAOYSA-N 0 0 314.429 3.245 20 10 DGCDRN C[C@@H](Nc1ccc2c(c1)NC(=O)[C@H](C)O2)c1cc(F)ccc1O ZINC000176982955 655885759 /nfs/dbraw/zinc/88/57/59/655885759.db2.gz NRIWZRLSKLVOSX-ZJUUUORDSA-N 0 0 316.332 3.424 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2F)c(O)c1O ZINC000179391154 655891698 /nfs/dbraw/zinc/89/16/98/655891698.db2.gz LAWHYXKSRWYZIT-VIFPVBQESA-N 0 0 307.296 3.175 20 10 DGCDRN Cc1cc(C(=O)N(C)CC[C@@H](C)O)c(C)n1-c1cccc(C)c1 ZINC000177462132 655926558 /nfs/dbraw/zinc/92/65/58/655926558.db2.gz IURSYPKCNHGRQK-OAHLLOKOSA-N 0 0 314.429 3.245 20 10 DGCDRN COC(=O)c1ccc(COc2ccc(N3CCCC3)cc2)o1 ZINC000178197204 655960509 /nfs/dbraw/zinc/96/05/09/655960509.db2.gz XGDCHHWHXDIOIM-UHFFFAOYSA-N 0 0 301.342 3.245 20 10 DGCDRN COCCC(C)(C)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715769428 661214794 /nfs/dbraw/zinc/21/47/94/661214794.db2.gz KDJPZTZSDBYZOL-UHFFFAOYSA-N 0 0 320.202 3.199 20 10 DGCDRN CCOCCCC[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715810398 661214912 /nfs/dbraw/zinc/21/49/12/661214912.db2.gz APBJCKDYNBGXGH-UHFFFAOYSA-N 0 0 320.202 3.200 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]C1(C2CC2)CC1 ZINC000715829153 661214970 /nfs/dbraw/zinc/21/49/70/661214970.db2.gz SJQNTHIKFOXKDA-UHFFFAOYSA-N 0 0 300.171 3.326 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CC[C@@H](CF)C1 ZINC000715805938 661215166 /nfs/dbraw/zinc/21/51/66/661215166.db2.gz NDXGIUPRXLXJDC-QMMMGPOBSA-N 0 0 306.150 3.085 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1cc2c(s1)CCCCC2 ZINC000182524941 656106501 /nfs/dbraw/zinc/10/65/01/656106501.db2.gz JQKIPUVDUQPMLI-UHFFFAOYSA-N 0 0 317.410 3.358 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1coc2ccccc12 ZINC000183450700 656113020 /nfs/dbraw/zinc/11/30/20/656113020.db2.gz DKJHIQOGQNOSBW-NSHDSACASA-N 0 0 311.337 3.205 20 10 DGCDRN C[C@H](NC(=O)CCCC(=O)C1CC1)c1ccc(N(C)C)cc1 ZINC000828862080 661233072 /nfs/dbraw/zinc/23/30/72/661233072.db2.gz UAWOVJRVVNECSO-ZDUSSCGKSA-N 0 0 302.418 3.079 20 10 DGCDRN CC(C)CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000053517487 656175031 /nfs/dbraw/zinc/17/50/31/656175031.db2.gz GQQBJJPEKNITOX-UHFFFAOYSA-N 0 0 303.450 3.474 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2c(C)cccc2OC)c1 ZINC000195031564 656207989 /nfs/dbraw/zinc/20/79/89/656207989.db2.gz UREMHPFMDGWZTI-UHFFFAOYSA-N 0 0 316.357 3.040 20 10 DGCDRN CN(C)C(=O)c1ccc(NCc2c(O)ccc(Cl)c2F)cc1 ZINC000195063854 656208403 /nfs/dbraw/zinc/20/84/03/656208403.db2.gz MKULPFFEHVNEPH-UHFFFAOYSA-N 0 0 322.767 3.499 20 10 DGCDRN Cc1noc2ncnc(NCc3ccc(N4CCCC4)cc3)c12 ZINC000195508600 656212441 /nfs/dbraw/zinc/21/24/41/656212441.db2.gz YIFDASCSBMQCSX-UHFFFAOYSA-N 0 0 309.373 3.139 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N(C)c2ccc(F)cc2)cc1F ZINC000195201017 656243315 /nfs/dbraw/zinc/24/33/15/656243315.db2.gz NZFREQJXCAFXLQ-UHFFFAOYSA-N 0 0 319.355 3.377 20 10 DGCDRN CSC[C@@H]1CCC[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000093761224 656387282 /nfs/dbraw/zinc/38/72/82/656387282.db2.gz OEEMYTWNCAYDJD-NSHDSACASA-N 0 0 316.264 3.482 20 10 DGCDRN O=C(NCc1cccc(C(F)(F)F)c1)c1cccc(O)c1O ZINC000184770603 656425483 /nfs/dbraw/zinc/42/54/83/656425483.db2.gz YKXCCBYMRYLKHS-UHFFFAOYSA-N 0 0 311.259 3.047 20 10 DGCDRN C[C@H](Nc1ccc2c(c1)NC(=O)CO2)c1ccc(N(C)C)cc1 ZINC000319655189 656545446 /nfs/dbraw/zinc/54/54/46/656545446.db2.gz BDAPIAHXKKTHQI-LBPRGKRZSA-N 0 0 311.385 3.257 20 10 DGCDRN COc1ccc(O)c([C@H](C)Nc2cccc(CCCO)c2)c1 ZINC000317064754 656556411 /nfs/dbraw/zinc/55/64/11/656556411.db2.gz FPUCPWLRQWUFBC-ZDUSSCGKSA-N 0 0 301.386 3.499 20 10 DGCDRN COc1cc(C)cc(CNCc2nc(C)c3ccccc3n2)c1O ZINC000894216121 657096149 /nfs/dbraw/zinc/09/61/49/657096149.db2.gz HSEDDKRBEXFZLB-UHFFFAOYSA-N 0 0 323.396 3.251 20 10 DGCDRN CCOc1ccc(/C=C2\SC(=S)N(C3CC3)C2=O)cc1 ZINC000048402592 657216160 /nfs/dbraw/zinc/21/61/60/657216160.db2.gz XHGZNHSYNWRUBF-LCYFTJDESA-N 0 0 305.424 3.449 20 10 DGCDRN CN1C(=O)/C(=C\c2ccccc2OC(F)(F)F)SC1=S ZINC000048402558 657216215 /nfs/dbraw/zinc/21/62/15/657216215.db2.gz ZKGHPTBPFNNPAY-RMKNXTFCSA-N 0 0 319.329 3.416 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCSCC1 ZINC000048791245 657301152 /nfs/dbraw/zinc/30/11/52/657301152.db2.gz SLDPEWMOLVGJDL-UHFFFAOYSA-N 0 0 306.456 3.345 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cc2ccccc2cc1N ZINC000237168273 657354932 /nfs/dbraw/zinc/35/49/32/657354932.db2.gz JWIAXZUPPIKCEY-UHFFFAOYSA-N 0 0 306.365 3.400 20 10 DGCDRN COc1ccc(O)c(CNc2ccc(C)c(NC(C)=O)c2)c1 ZINC000237206993 657381005 /nfs/dbraw/zinc/38/10/05/657381005.db2.gz UZKCWLPTCTXFOU-UHFFFAOYSA-N 0 0 300.358 3.280 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc3c(c2)CCC3)cc1F ZINC000302952966 657504819 /nfs/dbraw/zinc/50/48/19/657504819.db2.gz DTHXCDGAAVJGAF-UHFFFAOYSA-N 0 0 312.388 3.310 20 10 DGCDRN Cc1cc(C)cc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000302954451 657504875 /nfs/dbraw/zinc/50/48/75/657504875.db2.gz FFLQBLSYORDKRY-UHFFFAOYSA-N 0 0 300.377 3.439 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccc(=O)[nH]c2)cc1 ZINC000303687118 657555993 /nfs/dbraw/zinc/55/59/93/657555993.db2.gz KTCUJAHXMCELNK-UHFFFAOYSA-N 0 0 321.380 3.125 20 10 DGCDRN CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1cccc(Br)c1[O-] ZINC000304033563 657703122 /nfs/dbraw/zinc/70/31/22/657703122.db2.gz GYJYEMAGRXSAEJ-HZMBPMFUSA-N 0 0 316.239 3.041 20 10 DGCDRN O=C(/C=C/c1ccc(Cl)nc1)N1CCc2ccc(F)cc21 ZINC000179210963 658382688 /nfs/dbraw/zinc/38/26/88/658382688.db2.gz SGGUTEVUHCNJRW-QHHAFSJGSA-N 0 0 302.736 3.477 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000067731825 658394990 /nfs/dbraw/zinc/39/49/90/658394990.db2.gz LTDJXKRQGQMDIB-HZPDHXFCSA-N 0 0 314.360 3.229 20 10 DGCDRN C[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H]1C ZINC000179302967 658401912 /nfs/dbraw/zinc/40/19/12/658401912.db2.gz SNQQCLSPMVFODA-JKSUJKDBSA-N 0 0 315.461 3.474 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cccc2nc[nH]c21 ZINC000156337086 658913325 /nfs/dbraw/zinc/91/33/25/658913325.db2.gz WDQKXNBLJGPQEU-UHFFFAOYSA-N 0 0 309.369 3.321 20 10 DGCDRN COCCc1noc(CSc2ncc(C(C)(C)C)s2)n1 ZINC000164055481 658915245 /nfs/dbraw/zinc/91/52/45/658915245.db2.gz SBDRKZBHCSVJSB-UHFFFAOYSA-N 0 0 313.448 3.305 20 10 DGCDRN COc1cc(CN2CCO[C@H](C)[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000164515840 658936892 /nfs/dbraw/zinc/93/68/92/658936892.db2.gz GJXFCEFTUKWARW-QWHCGFSZSA-N 0 0 307.434 3.308 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2CCCOC2)cc1 ZINC000055920234 658942382 /nfs/dbraw/zinc/94/23/82/658942382.db2.gz MQONVMYNQIZWTP-INIZCTEOSA-N 0 0 312.413 3.251 20 10 DGCDRN Cc1cc(C(=O)Nc2nncn2C)c(C)n1-c1cc(C)cc(C)c1 ZINC000156937113 658954405 /nfs/dbraw/zinc/95/44/05/658954405.db2.gz PZQXRODAZZPUIA-UHFFFAOYSA-N 0 0 323.400 3.092 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cnn(C)c1 ZINC000056915887 658995928 /nfs/dbraw/zinc/99/59/28/658995928.db2.gz SODOHGOABBTGEP-UHFFFAOYSA-N 0 0 300.387 3.141 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C(C)C)nc2)c1 ZINC000157605816 659071564 /nfs/dbraw/zinc/07/15/64/659071564.db2.gz AMTWRYXRMQJTMF-LBPRGKRZSA-N 0 0 314.385 3.410 20 10 DGCDRN Cc1cc(C(=O)N[C@@]2(C)CCOC2)c(C)n1-c1cccc(C)c1 ZINC000157621476 659072238 /nfs/dbraw/zinc/07/22/38/659072238.db2.gz CETVDXYARBKWEX-IBGZPJMESA-N 0 0 312.413 3.311 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3ccc(F)cc3F)ccc21 ZINC000058768531 659105527 /nfs/dbraw/zinc/10/55/27/659105527.db2.gz VHLORHFDOHMPDE-UHFFFAOYSA-N 0 0 316.351 3.277 20 10 DGCDRN CSCC[C@H](C)N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000076781347 659210003 /nfs/dbraw/zinc/21/00/03/659210003.db2.gz ZQAVYAZKROLNMX-ZDUSSCGKSA-N 0 0 309.479 3.036 20 10 DGCDRN O=C(NCC1CCC1)N(Cc1ccco1)Cc1ccccc1O ZINC000171013844 659255138 /nfs/dbraw/zinc/25/51/38/659255138.db2.gz ITIPPABKZSBKRW-UHFFFAOYSA-N 0 0 314.385 3.497 20 10 DGCDRN CCCCCCOCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000171593138 659290195 /nfs/dbraw/zinc/29/01/95/659290195.db2.gz JWCQDWPMMHMKGB-UHFFFAOYSA-N 0 0 318.461 3.500 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)C3CCCCC3)C2)cc1 ZINC000062574829 659336990 /nfs/dbraw/zinc/33/69/90/659336990.db2.gz VTWKQTAIQPFODN-OAHLLOKOSA-N 0 0 316.445 3.218 20 10 DGCDRN COc1ccccc1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000172592145 659344472 /nfs/dbraw/zinc/34/44/72/659344472.db2.gz XLZVQCBUZCUHMG-UHFFFAOYSA-N 0 0 323.396 3.393 20 10 DGCDRN CCOc1ccc(S(=O)(=O)Nc2ccc(O)cc2C)c(C)c1 ZINC000172605329 659346353 /nfs/dbraw/zinc/34/63/53/659346353.db2.gz RDFCCUHQGITREC-UHFFFAOYSA-N 0 0 321.398 3.209 20 10 DGCDRN O=C1N[C@@H](c2ccc(O)c(O)c2)Nc2c3ccccc3sc21 ZINC000172860843 659360749 /nfs/dbraw/zinc/36/07/49/659360749.db2.gz MYDFKNHMPUGVAY-HNNXBMFYSA-N 0 0 312.350 3.167 20 10 DGCDRN C[C@H]1Cc2ccccc2CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000173217997 659377095 /nfs/dbraw/zinc/37/70/95/659377095.db2.gz WPFGRHHSYURYPW-HNNXBMFYSA-N 0 0 323.440 3.409 20 10 DGCDRN COc1cccc(CNC(=O)NCC2CCC(C)CC2)c1O ZINC000174293125 659426482 /nfs/dbraw/zinc/42/64/82/659426482.db2.gz OMCZHEFDONDSRI-UHFFFAOYSA-N 0 0 306.406 3.026 20 10 DGCDRN CCc1nc(NC(=O)N(C)Cc2ccccc2O)sc1C ZINC000174339410 659428167 /nfs/dbraw/zinc/42/81/67/659428167.db2.gz HRDLQCULUHMZJJ-UHFFFAOYSA-N 0 0 305.403 3.383 20 10 DGCDRN CSC(C)(C)CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000174363558 659429314 /nfs/dbraw/zinc/42/93/14/659429314.db2.gz VNMJDCDGNURCSO-UHFFFAOYSA-N 0 0 322.474 3.212 20 10 DGCDRN O=C(CSC(F)(F)F)NCc1c(O)ccc2c1CCCC2 ZINC000174511540 659436852 /nfs/dbraw/zinc/43/68/52/659436852.db2.gz CSBKYRCISVDEDM-UHFFFAOYSA-N 0 0 319.348 3.140 20 10 DGCDRN Nc1ccc(CC(=O)Nc2ccccc2OCC(F)(F)F)cc1 ZINC000238120189 659708618 /nfs/dbraw/zinc/70/86/18/659708618.db2.gz AVNRCANEGHXHJT-UHFFFAOYSA-N 0 0 324.302 3.391 20 10 DGCDRN CN1C(=O)/C(=C/c2ccc(OCC(F)F)cc2)SC1=S ZINC000174909696 659912442 /nfs/dbraw/zinc/91/24/42/659912442.db2.gz LRPHQPBXYQKGON-POHAHGRESA-N 0 0 315.366 3.162 20 10 DGCDRN CCCc1cc(C(=O)N(CCC)Cc2ccccc2O)[nH]n1 ZINC000174953871 659913766 /nfs/dbraw/zinc/91/37/66/659913766.db2.gz CQJBJVAFYIHQMH-UHFFFAOYSA-N 0 0 301.390 3.120 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)COC2 ZINC000064655794 659921863 /nfs/dbraw/zinc/92/18/63/659921863.db2.gz LOHQGNIVTXSJQC-UHFFFAOYSA-N 0 0 324.424 3.445 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000175507219 659922941 /nfs/dbraw/zinc/92/29/41/659922941.db2.gz WAMWPYAJUJXZTO-ZFWWWQNUSA-N 0 0 317.335 3.433 20 10 DGCDRN Cc1cc(C)n(-c2ccccc2NC(=O)Cc2ccc(N)cc2)n1 ZINC000237678330 659936296 /nfs/dbraw/zinc/93/62/96/659936296.db2.gz IAHKTVWBPLSWOF-UHFFFAOYSA-N 0 0 320.396 3.253 20 10 DGCDRN Cc1ccc(SCCC(=O)NCCc2ccc(N)cc2)cc1 ZINC000237768609 659941117 /nfs/dbraw/zinc/94/11/17/659941117.db2.gz NITZOCINNDLTAF-UHFFFAOYSA-N 0 0 314.454 3.418 20 10 DGCDRN Fc1ccc(F)c(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000237819370 659943296 /nfs/dbraw/zinc/94/32/96/659943296.db2.gz SPMFRJSCNYGZCR-UHFFFAOYSA-N 0 0 304.340 3.414 20 10 DGCDRN Nc1ccc(CC(=O)N[C@H]2CCSc3c(F)cccc32)cc1 ZINC000237915279 659948932 /nfs/dbraw/zinc/94/89/32/659948932.db2.gz DRQRNEWFUHQCQJ-HNNXBMFYSA-N 0 0 316.401 3.304 20 10 DGCDRN COc1cccc(CNC(=O)Cc2ccc3ccccc3c2)c1O ZINC000068488743 659954345 /nfs/dbraw/zinc/95/43/45/659954345.db2.gz VOAGDNBLPJLGBE-UHFFFAOYSA-N 0 0 321.376 3.413 20 10 DGCDRN COc1cccc(CNC(=O)CCc2c[nH]c3ccccc23)c1O ZINC000068488772 659954619 /nfs/dbraw/zinc/95/46/19/659954619.db2.gz UBEHDQSVGUUTNI-UHFFFAOYSA-N 0 0 324.380 3.131 20 10 DGCDRN C[C@H](NC(=O)C[C@H]1C=CCC1)c1ccc(N2CCOCC2)cc1 ZINC000068512948 659955687 /nfs/dbraw/zinc/95/56/87/659955687.db2.gz AZVDVOBXPJUUPF-HOTGVXAUSA-N 0 0 314.429 3.057 20 10 DGCDRN COCCOc1cccc(CN(C)c2ccc3c(c2)OCO3)c1 ZINC000180760901 659969581 /nfs/dbraw/zinc/96/95/81/659969581.db2.gz UIKKVYAWUCCHCT-UHFFFAOYSA-N 0 0 315.369 3.077 20 10 DGCDRN COCCOc1ccccc1CN(C)c1ccc2c(c1)OCO2 ZINC000180760632 659969734 /nfs/dbraw/zinc/96/97/34/659969734.db2.gz JSNQXYWUPWHIIT-UHFFFAOYSA-N 0 0 315.369 3.077 20 10 DGCDRN Cc1ccc(C[C@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)s1 ZINC000180799374 659970976 /nfs/dbraw/zinc/97/09/76/659970976.db2.gz HVKCYHHRFSTIFN-BWNDKRECSA-N 0 0 317.410 3.228 20 10 DGCDRN Cc1cccc([C@@H](C)CNC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000181116795 659980876 /nfs/dbraw/zinc/98/08/76/659980876.db2.gz WNGGNDWYJLGINM-KGXGESDWSA-N 0 0 311.381 3.339 20 10 DGCDRN N#Cc1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)c[nH]1 ZINC000181230944 659987791 /nfs/dbraw/zinc/98/77/91/659987791.db2.gz YDNNUMWURYLQJN-UHFFFAOYSA-N 0 0 321.336 3.028 20 10 DGCDRN Cc1ccc(C(=O)N(C)[C@H](C)c2ccccc2F)c(O)c1O ZINC000181863501 660023469 /nfs/dbraw/zinc/02/34/69/660023469.db2.gz XNDVDWYPYIHANE-LLVKDONJSA-N 0 0 303.333 3.379 20 10 DGCDRN CC(C)CCO[C@H](C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000069960787 660030768 /nfs/dbraw/zinc/03/07/68/660030768.db2.gz JSIGXGVSWZZKTH-OAHLLOKOSA-N 0 0 318.461 3.136 20 10 DGCDRN Cc1cccc(C=C2SC(=S)NC2=O)c1OC(F)F ZINC000182049668 660031469 /nfs/dbraw/zinc/03/14/69/660031469.db2.gz ZDQZCBBYJZTXAI-YVMONPNESA-N 0 0 301.339 3.085 20 10 DGCDRN C[C@H]([NH3+])[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000070171691 660040572 /nfs/dbraw/zinc/04/05/72/660040572.db2.gz GFXMCEMVCDTXPZ-VHSXEESVSA-N 0 0 303.233 3.258 20 10 DGCDRN C[C@H](Cc1cccc(F)c1)C(=O)N(C)Cc1ccccc1O ZINC000070822484 660089224 /nfs/dbraw/zinc/08/92/24/660089224.db2.gz HBKGDVZTVSGYCZ-CYBMUJFWSA-N 0 0 301.361 3.369 20 10 DGCDRN Cc1ccc(C(=O)Nc2cc(C3CCCC3)nn2C)c(O)c1O ZINC000184077823 660154728 /nfs/dbraw/zinc/15/47/28/660154728.db2.gz JXUYZJPHOJTHBT-UHFFFAOYSA-N 0 0 315.373 3.050 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NO[C@H]2CCCCO2)cc1 ZINC000072058878 660165662 /nfs/dbraw/zinc/16/56/62/660165662.db2.gz LCGWCNZJAKHZAJ-KRWDZBQOSA-N 0 0 314.385 3.282 20 10 DGCDRN CC[C@H]1CCCC[C@@H]1OCC(=O)NCc1cc(OC)ccc1O ZINC000184718092 660182819 /nfs/dbraw/zinc/18/28/19/660182819.db2.gz IZHVLBNIWYPWQV-GUYCJALGSA-N 0 0 321.417 3.002 20 10 DGCDRN COc1ccc(N(C)Cc2nc(C(C)C)ns2)cc1OC ZINC000929346578 661299546 /nfs/dbraw/zinc/29/95/46/661299546.db2.gz BKNKDKOFGZYAAO-UHFFFAOYSA-N 0 0 307.419 3.315 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@]2(c3ccccc3)CCCO2)cc1 ZINC000929401235 661304279 /nfs/dbraw/zinc/30/42/79/661304279.db2.gz CUGLDYXOPYSAMP-HXUWFJFHSA-N 0 0 324.424 3.075 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@]2(C)CCOc3ccccc32)cc1 ZINC000929401223 661304417 /nfs/dbraw/zinc/30/44/17/661304417.db2.gz CIQBSXAJZFKBEC-FQEVSTJZSA-N 0 0 324.424 3.109 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)C[C@@H]2CC[C@H](C3CC3)O2)cc1 ZINC000929527609 661315030 /nfs/dbraw/zinc/31/50/30/661315030.db2.gz SUUCWEOFUHRYQH-ZWKOTPCHSA-N 0 0 316.445 3.059 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)CC2(CC)COC2)cc1 ZINC000929536445 661315946 /nfs/dbraw/zinc/31/59/46/661315946.db2.gz CLUVLKAWHBNZNR-UHFFFAOYSA-N 0 0 318.461 3.308 20 10 DGCDRN C[C@@H]1CCN(C(=O)/C=C\c2cn(C)cn2)c2ccccc2S1 ZINC000929691127 661329285 /nfs/dbraw/zinc/32/92/85/661329285.db2.gz YMVJLKSZPDFQMM-MEJMFZKBSA-N 0 0 313.426 3.351 20 10 DGCDRN C[C@@H]1CCN(C(=O)/C=C/c2cn(C)cn2)c2ccccc2S1 ZINC000929691129 661329442 /nfs/dbraw/zinc/32/94/42/661329442.db2.gz YMVJLKSZPDFQMM-SBDDDAINSA-N 0 0 313.426 3.351 20 10 DGCDRN COC[C@H](CN(C)c1cc(OC)c(OC)c(OC)c1)C(C)C ZINC000929706817 661330621 /nfs/dbraw/zinc/33/06/21/661330621.db2.gz HLHRXPKWIXCPCS-ZDUSSCGKSA-N 0 0 311.422 3.067 20 10 DGCDRN CC[C@H](C)n1nc(NC(=O)NCc2c(O)cccc2F)cc1C ZINC000930714801 661423970 /nfs/dbraw/zinc/42/39/70/661423970.db2.gz ADGRACYSTKAZSO-JTQLQIEISA-N 0 0 320.368 3.329 20 10 DGCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2CCc1nnc(C)o1 ZINC000930754991 661427440 /nfs/dbraw/zinc/42/74/40/661427440.db2.gz UECXXIXSLPNVAT-HNNXBMFYSA-N 0 0 315.417 3.264 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)Nc1ccc2c(n1)CCC2 ZINC000931674097 661496688 /nfs/dbraw/zinc/49/66/88/661496688.db2.gz YOIODPRPSTWACR-UHFFFAOYSA-N 0 0 317.776 3.251 20 10 DGCDRN Cc1cc(CN2CCn3nc(C4CC4)cc3C2)ccc1N(C)C ZINC000932604046 661585394 /nfs/dbraw/zinc/58/53/94/661585394.db2.gz INBVIWCNOMHCMW-UHFFFAOYSA-N 0 0 310.445 3.151 20 10 DGCDRN COc1ccc(CNC(=O)Nc2c(C)noc2C(C)C)c(O)c1 ZINC000932845196 661601703 /nfs/dbraw/zinc/60/17/03/661601703.db2.gz BIILEEJXPCFYDS-UHFFFAOYSA-N 0 0 319.361 3.142 20 10 DGCDRN O=C(NCc1c(O)cccc1F)Nc1ccc(C2CC2)cn1 ZINC000933954078 661668304 /nfs/dbraw/zinc/66/83/04/661668304.db2.gz HILUZSPMOUCVFM-UHFFFAOYSA-N 0 0 301.321 3.125 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]2CCCC2(F)F)c1 ZINC000934940629 661750078 /nfs/dbraw/zinc/75/00/78/661750078.db2.gz SABSUWQVQWWKDC-QWRGUYRKSA-N 0 0 313.344 3.404 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)c1 ZINC000934941026 661750571 /nfs/dbraw/zinc/75/05/71/661750571.db2.gz VHPJLROENQHXMX-XDQVBPFNSA-N 0 0 303.402 3.404 20 10 DGCDRN Cn1cnc(/C=C\C(=O)N2CCc3c2cccc3C(F)(F)F)c1 ZINC000935387980 661781818 /nfs/dbraw/zinc/78/18/18/661781818.db2.gz PUNQTPJVQPSCSD-WAYWQWQTSA-N 0 0 321.302 3.041 20 10 DGCDRN C[C@@]1(C(=O)NCc2cccc(Br)c2O)C=CCC1 ZINC000935662436 661800504 /nfs/dbraw/zinc/80/05/04/661800504.db2.gz FKVCYHQLMCTCQK-CQSZACIVSA-N 0 0 310.191 3.127 20 10 DGCDRN C[C@@H]1C[C@@H](C)CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000155673330 661850772 /nfs/dbraw/zinc/85/07/72/661850772.db2.gz UJZGQICQQIJPII-HZPDHXFCSA-N 0 0 313.445 3.250 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC000156274571 661861196 /nfs/dbraw/zinc/86/11/96/661861196.db2.gz ICVXENYPTIFMEF-KURKYZTESA-N 0 0 310.397 3.144 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1ccc(Cl)c(Cl)c1 ZINC000158971867 661881130 /nfs/dbraw/zinc/88/11/30/661881130.db2.gz SFWCKDUCZATBSR-UHFFFAOYSA-N 0 0 312.152 3.335 20 10 DGCDRN O=C1N[C@@H](c2cccc(Br)c2O)Nc2ccccc21 ZINC000048622095 661893480 /nfs/dbraw/zinc/89/34/80/661893480.db2.gz RKNNWEQEMYSHGH-ZDUSSCGKSA-N 0 0 319.158 3.009 20 10 DGCDRN O=C(Nc1ccccc1N1CCCCC1)c1cccc(O)c1O ZINC000188048911 661913090 /nfs/dbraw/zinc/91/30/90/661913090.db2.gz ZTEVGIVDMZOHJO-UHFFFAOYSA-N 0 0 312.369 3.340 20 10 DGCDRN Cc1cc(C(=O)NCC(C)(C)O)c(C)n1-c1ccc(Cl)cc1 ZINC000075236364 661921743 /nfs/dbraw/zinc/92/17/43/661921743.db2.gz IQPXFNXNCOTFQW-UHFFFAOYSA-N 0 0 320.820 3.248 20 10 DGCDRN CCN(C(=O)c1cccc(O)c1O)[C@@H](C)c1ccc(C#N)cc1 ZINC000188267876 661923346 /nfs/dbraw/zinc/92/33/46/661923346.db2.gz GYCWXSOKEAJBIX-LBPRGKRZSA-N 0 0 310.353 3.193 20 10 DGCDRN Cc1ccc(F)c(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000189195656 661968495 /nfs/dbraw/zinc/96/84/95/661968495.db2.gz ROPDQYNDBBFLCT-LLVKDONJSA-N 0 0 318.348 3.298 20 10 DGCDRN CO[C@H](C)[C@H](C)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000190339985 662028703 /nfs/dbraw/zinc/02/87/03/662028703.db2.gz PFNZCSAQFNVQRV-GXTWGEPZSA-N 0 0 318.392 3.386 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(F)ccc1F ZINC000190394224 662031222 /nfs/dbraw/zinc/03/12/22/662031222.db2.gz AQWGJVPQKDDBJP-SECBINFHSA-N 0 0 322.311 3.129 20 10 DGCDRN CCCC[C@@H](COC)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000077795581 662040590 /nfs/dbraw/zinc/04/05/90/662040590.db2.gz MQGBLHQNYZRRPX-INIZCTEOSA-N 0 0 321.465 3.099 20 10 DGCDRN CC(C)Oc1ccc(N(C)CC(=O)N(C)Cc2ccco2)cc1 ZINC000191579184 662073018 /nfs/dbraw/zinc/07/30/18/662073018.db2.gz WPNYNZGAAGTMSG-UHFFFAOYSA-N 0 0 316.401 3.162 20 10 DGCDRN CC(C)Oc1ccc(N(C)CC(=O)N2CCC[C@H](C)C2)cc1 ZINC000191582470 662073293 /nfs/dbraw/zinc/07/32/93/662073293.db2.gz CYEQJANEKUXJKY-HNNXBMFYSA-N 0 0 304.434 3.169 20 10 DGCDRN CCOc1cccc([C@H]2NC(=O)c3c(Cl)cccc3N2)c1O ZINC000078788509 662084934 /nfs/dbraw/zinc/08/49/34/662084934.db2.gz QZPRLPDUWCQTAE-OAHLLOKOSA-N 0 0 318.760 3.298 20 10 DGCDRN CCCCCCC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000192560183 662104424 /nfs/dbraw/zinc/10/44/24/662104424.db2.gz SGCVUMHOTLVJMG-UHFFFAOYSA-N 0 0 304.434 3.314 20 10 DGCDRN Cc1ccccc1-c1cc(NC(=O)c2cccc(O)c2O)n(C)n1 ZINC000193117557 662123071 /nfs/dbraw/zinc/12/30/71/662123071.db2.gz UKEVDVKZBBCNSN-UHFFFAOYSA-N 0 0 323.352 3.059 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NC[C@H]2Cc3ccccc32)cc1 ZINC000194203160 662160294 /nfs/dbraw/zinc/16/02/94/662160294.db2.gz CFYIARXGVMQMAX-QGZVFWFLSA-N 0 0 323.440 3.234 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H]1CCCOC1 ZINC000194437334 662165599 /nfs/dbraw/zinc/16/55/99/662165599.db2.gz GOUZVZZVBOXOBF-AWEZNQCLSA-N 0 0 318.442 3.312 20 10 DGCDRN COc1cccc(CNC(=O)Nc2ccc(Cl)nc2C)c1O ZINC000194668353 662171011 /nfs/dbraw/zinc/17/10/11/662171011.db2.gz VFLWQABNIYLIKC-UHFFFAOYSA-N 0 0 321.764 3.079 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C[C@@H]2CCCCO2)cc1F ZINC000087334491 662225808 /nfs/dbraw/zinc/22/58/08/662225808.db2.gz DBFCWLFYTLPPQN-HNNXBMFYSA-N 0 0 322.424 3.247 20 10 DGCDRN CCCS(=O)(=O)CCSc1ncc(-c2ccccc2)n1C ZINC000133087662 685068415 /nfs/dbraw/zinc/06/84/15/685068415.db2.gz HMVDYZUXQITEPJ-UHFFFAOYSA-N 0 0 324.471 3.004 20 10 DGCDRN [O-]c1c(Br)cccc1C[NH2+]CC[C@H]1CCCCO1 ZINC000227336045 685117940 /nfs/dbraw/zinc/11/79/40/685117940.db2.gz DCGRPERKKMJYLU-GFCCVEGCSA-N 0 0 314.223 3.204 20 10 DGCDRN COCC(=O)Nc1ccc(NCc2c(O)cccc2Cl)cc1 ZINC000378907007 685146258 /nfs/dbraw/zinc/14/62/58/685146258.db2.gz ZNIUOGMSBVKILH-UHFFFAOYSA-N 0 0 320.776 3.243 20 10 DGCDRN CC[C@@H](C)[C@H](C[NH2+]Cc1cc(Br)ccc1O)OC ZINC000381108878 685155011 /nfs/dbraw/zinc/15/50/11/685155011.db2.gz BROLTOHIIKVSPT-YGRLFVJLSA-N 0 0 316.239 3.305 20 10 DGCDRN CCOc1ccccc1NC[C@@H](O)COc1cccc(C)c1 ZINC000386896166 685180764 /nfs/dbraw/zinc/18/07/64/685180764.db2.gz HWQXRRYWTQQEME-OAHLLOKOSA-N 0 0 301.386 3.246 20 10 DGCDRN CCC1([NH2+]Cc2cccc(Br)c2[O-])CCOCC1 ZINC000389426849 685193345 /nfs/dbraw/zinc/19/33/45/685193345.db2.gz RVYHYANWDOZIIB-UHFFFAOYSA-N 0 0 314.223 3.204 20 10 DGCDRN COCCCC[N@H+](C)Cc1cc(Br)ccc1O ZINC000397104127 685229365 /nfs/dbraw/zinc/22/93/65/685229365.db2.gz GDXICRCLLYMTSK-UHFFFAOYSA-N 0 0 302.212 3.013 20 10 DGCDRN C[C@@H]1CCC[C@H](CNC(=O)NCCc2ccc(N)cc2)[C@H]1C ZINC001576676739 1191862106 /nfs/dbraw/zinc/86/21/06/1191862106.db2.gz DKTYKJHQEBHYGP-IJEWVQPXSA-N 0 0 303.450 3.183 20 10 DGCDRN COC(=O)c1cc(NC(=O)N(C)c2ccc(N)cc2)c(C)s1 ZINC001578859187 1191958958 /nfs/dbraw/zinc/95/89/58/1191958958.db2.gz HLLKTWKIELOBLL-UHFFFAOYSA-N 0 0 319.386 3.094 20 10 DGCDRN C[C@H](OC(=O)Cc1ccc(N)cc1)c1ccccc1[N+](=O)[O-] ZINC001579484596 1191977772 /nfs/dbraw/zinc/97/77/72/1191977772.db2.gz CUMNMIQJFNPGFC-NSHDSACASA-N 0 0 300.314 3.024 20 10 DGCDRN Nc1ccc(CCNC(=O)NCCc2cccc(Cl)c2)cc1 ZINC001580443588 1192027322 /nfs/dbraw/zinc/02/73/22/1192027322.db2.gz RQXNKSJGVMXPPA-UHFFFAOYSA-N 0 0 317.820 3.007 20 10 DGCDRN CCN(C)c1ccc(CN(C)Cc2csnc2OC)cc1 ZINC001620614363 1192037679 /nfs/dbraw/zinc/03/76/79/1192037679.db2.gz MDBHSAJGLNXLPD-UHFFFAOYSA-N 0 0 305.447 3.240 20 10 DGCDRN CCSc1cc(C(=O)NCc2cc(Cl)ccc2O)ccn1 ZINC001583817968 1192161461 /nfs/dbraw/zinc/16/14/61/1192161461.db2.gz WEYOVRFDAXVNDP-UHFFFAOYSA-N 0 0 322.817 3.483 20 10 DGCDRN O=C(/C=C/c1cccnc1)N1CCCc2cc(F)c(F)c(F)c21 ZINC001584512862 1192200880 /nfs/dbraw/zinc/20/08/80/1192200880.db2.gz TUACTYJYRJVNOS-AATRIKPKSA-N 0 0 318.298 3.492 20 10 DGCDRN CCNC(=O)c1cc(Cl)ccc1NC(=O)C1=CC(=O)CS1 ZINC001584956493 1192232817 /nfs/dbraw/zinc/23/28/17/1192232817.db2.gz NRKBHYPUFJIDFQ-UHFFFAOYSA-N 0 0 324.789 3.109 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccc(Br)cc2)c1 ZINC001584983439 1192234793 /nfs/dbraw/zinc/23/47/93/1192234793.db2.gz JURMWXOAHZNJFW-UHFFFAOYSA-N 0 0 320.186 3.393 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)C[C@H]2CCC[C@H]2C)cc1 ZINC001585450346 1192262091 /nfs/dbraw/zinc/26/20/91/1192262091.db2.gz UEXIPNKCMYLVAH-HZPDHXFCSA-N 0 0 318.461 3.416 20 10 DGCDRN Cc1ncsc1/C=C/C(=O)N1CCOc2c(F)ccc(F)c21 ZINC001586681640 1192343856 /nfs/dbraw/zinc/34/38/56/1192343856.db2.gz IARVWTBIWBZRNH-SNAWJCMRSA-N 0 0 322.336 3.169 20 10 DGCDRN COc1ccccc1C(F)(F)C(=O)N[C@H](C)c1ccccc1O ZINC001587447159 1192399782 /nfs/dbraw/zinc/39/97/82/1192399782.db2.gz KPGFOCANFYZQLY-LLVKDONJSA-N 0 0 321.323 3.370 20 10 DGCDRN C[C@@H](NC(=O)C1=NO[C@H](c2ccccc2)C1)c1ccccc1O ZINC001587445276 1192399814 /nfs/dbraw/zinc/39/98/14/1192399814.db2.gz YRJWYTXQBFZFNS-PXAZEXFGSA-N 0 0 310.353 3.087 20 10 DGCDRN C[C@@H](NC(=O)c1ccccc1-c1cn[nH]c1)c1ccccc1O ZINC001587447368 1192400927 /nfs/dbraw/zinc/40/09/27/1192400927.db2.gz QRVCSUBPEKGIIV-GFCCVEGCSA-N 0 0 307.353 3.273 20 10 DGCDRN Cc1cc(CNC(=O)c2ccn(C)c2)c(C)n1-c1ccccc1 ZINC001587886584 1192423320 /nfs/dbraw/zinc/42/33/20/1192423320.db2.gz QLVDTXJGCLGYNH-UHFFFAOYSA-N 0 0 307.397 3.363 20 10 DGCDRN CCOc1cccc(/C=C\C(=O)N(C)Cc2ccccc2O)c1 ZINC001588155769 1192435958 /nfs/dbraw/zinc/43/59/58/1192435958.db2.gz FSUKFNLUYPBDID-QXMHVHEDSA-N 0 0 311.381 3.463 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1ccsc1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589952364 1192478814 /nfs/dbraw/zinc/47/88/14/1192478814.db2.gz NNQAIDJNEPMGTL-VHSXEESVSA-N 0 0 315.402 3.046 20 10 DGCDRN CCOc1ccc(N(CC)Cc2ccccc2-c2nn[nH]n2)cc1 ZINC001590837007 1192540427 /nfs/dbraw/zinc/54/04/27/1192540427.db2.gz GIXFEOCFWBKTJB-UHFFFAOYSA-N 0 0 323.400 3.292 20 10 DGCDRN CC[C@@H](Sc1ccccc1)C(=O)NCc1cccc(O)c1O ZINC001593739488 1192640502 /nfs/dbraw/zinc/64/05/02/1192640502.db2.gz ODMIKWUYSHXWKA-OAHLLOKOSA-N 0 0 317.410 3.285 20 10 DGCDRN CCCCC[C@@H](O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001595318105 1192654573 /nfs/dbraw/zinc/65/45/73/1192654573.db2.gz LEUKUBRMEKJBJM-GOSISDBHSA-N 0 0 318.461 3.185 20 10 DGCDRN CCSc1ccccc1CC(=O)NCc1ccc(O)c(O)c1 ZINC001595596333 1192664221 /nfs/dbraw/zinc/66/42/21/1192664221.db2.gz UJQZFFPABMLVFC-UHFFFAOYSA-N 0 0 317.410 3.069 20 10 DGCDRN COc1ccc(OC(F)F)c(NC(=O)C2=CC(=O)CS2)c1 ZINC001596142376 1192682310 /nfs/dbraw/zinc/68/23/10/1192682310.db2.gz HGLFDTOLEUTJMX-UHFFFAOYSA-N 0 0 315.297 3.316 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H](C)c2ccccn2)cc1 ZINC001596579271 1192697733 /nfs/dbraw/zinc/69/77/33/1192697733.db2.gz ZXBMKEXHAPHNBI-OAHLLOKOSA-N 0 0 311.429 3.348 20 10 DGCDRN COc1cc(Cl)ccc1C(=O)NCc1c(O)cccc1F ZINC001596913428 1192710952 /nfs/dbraw/zinc/71/09/52/1192710952.db2.gz YDTSKTSMLVSZFC-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H]1COC[C@@H]1C ZINC001597046181 1192717011 /nfs/dbraw/zinc/71/70/11/1192717011.db2.gz XYUOVKOVZRDNIM-GUYCJALGSA-N 0 0 312.413 3.167 20 10 DGCDRN Cc1cc(N(C)C)cc(C)c1NC(=O)c1cccc(O)c1O ZINC001597170864 1192721449 /nfs/dbraw/zinc/72/14/49/1192721449.db2.gz FBHMLVZCUFWCTC-UHFFFAOYSA-N 0 0 300.358 3.033 20 10 DGCDRN C/C(=C/c1ccc(Cl)cc1)C(=O)NCc1c(O)cccc1O ZINC001597574910 1192738689 /nfs/dbraw/zinc/73/86/89/1192738689.db2.gz VIEBLKNZCKPHLE-LUAWRHEFSA-N 0 0 317.772 3.471 20 10 DGCDRN Cc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)sc1C=O ZINC001598029887 1192759074 /nfs/dbraw/zinc/75/90/74/1192759074.db2.gz XVUPTECGIZOFRO-UHFFFAOYSA-N 0 0 320.389 3.004 20 10 DGCDRN CCOc1cccc(NCc2cc(F)c(N(C)C)cc2F)n1 ZINC001621006158 1192780244 /nfs/dbraw/zinc/78/02/44/1192780244.db2.gz ZKKZYHNEXFQRIZ-UHFFFAOYSA-N 0 0 307.344 3.437 20 10 DGCDRN Cc1c(C(=O)[O-])cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)n1C ZINC001599995875 1192781138 /nfs/dbraw/zinc/78/11/38/1192781138.db2.gz VSRCFVVEBIQUDP-VIFPVBQESA-N 0 0 322.792 3.242 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1ccc(C(=O)[O-])o1 ZINC001600236181 1192816704 /nfs/dbraw/zinc/81/67/04/1192816704.db2.gz CFPOBPQZBFCGNO-CYBMUJFWSA-N 0 0 316.401 3.073 20 10 DGCDRN O=C(CNc1nccc2sccc21)c1ccc(O)c(O)c1 ZINC001170314635 1177732810 /nfs/dbraw/zinc/73/28/10/1177732810.db2.gz VZNQGTSGEIKUJS-UHFFFAOYSA-N 0 0 300.339 3.002 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC001292190359 1178083707 /nfs/dbraw/zinc/08/37/07/1178083707.db2.gz VMUKKBQTYQYFPA-QGZVFWFLSA-N 0 0 323.392 3.319 20 10 DGCDRN CO[C@H]1CCC[C@@H](C(=O)Nc2c3nonc3ccc2Cl)C1 ZINC001331138116 1178142353 /nfs/dbraw/zinc/14/23/53/1178142353.db2.gz GPYYETJAODNBFU-BDAKNGLRSA-N 0 0 309.753 3.020 20 10 DGCDRN O=C(CC(F)(F)C(F)F)Nc1c2nonc2ccc1Cl ZINC001331296073 1178177183 /nfs/dbraw/zinc/17/71/83/1178177183.db2.gz SKJUAHXKTIRREE-UHFFFAOYSA-N 0 0 311.622 3.105 20 10 DGCDRN CC1(C)CO[C@H](CCC(=O)Nc2c3nonc3ccc2Cl)C1 ZINC001331297280 1178178485 /nfs/dbraw/zinc/17/84/85/1178178485.db2.gz XEDDZCHRFNYMOZ-SECBINFHSA-N 0 0 323.780 3.410 20 10 DGCDRN [O-]c1c(F)cc(F)cc1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001331527737 1178234406 /nfs/dbraw/zinc/23/44/06/1178234406.db2.gz CXNUFZJTDQIZAU-OAHLLOKOSA-N 0 0 310.388 3.121 20 10 DGCDRN c1cnc([C@@H](NCc2ccc(N3CCCC3)cc2)C2CC2)nc1 ZINC001332353952 1178427061 /nfs/dbraw/zinc/42/70/61/1178427061.db2.gz VIQAHGHUFODCQS-SFHVURJKSA-N 0 0 308.429 3.318 20 10 DGCDRN CCc1nccc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC001333349433 1178592757 /nfs/dbraw/zinc/59/27/57/1178592757.db2.gz DRYLFLAWDTUTRA-AWEZNQCLSA-N 0 0 312.417 3.049 20 10 DGCDRN c1cnc2c(c1)ccnc2NCc1ccc(N2CCOCC2)cc1 ZINC001333348624 1178592787 /nfs/dbraw/zinc/59/27/87/1178592787.db2.gz AHZFPQDMCCMRHJ-UHFFFAOYSA-N 0 0 320.396 3.079 20 10 DGCDRN C[C@]1(C(=O)NCc2ccc(N3CCSCC3)cc2)C=CCC1 ZINC001333407974 1178602047 /nfs/dbraw/zinc/60/20/47/1178602047.db2.gz AIUFSYYDBLKAML-SFHVURJKSA-N 0 0 316.470 3.212 20 10 DGCDRN O=C(C[C@@H]1CCC2(CCC2)O1)Nc1c2nonc2ccc1Cl ZINC001333519242 1178618418 /nfs/dbraw/zinc/61/84/18/1178618418.db2.gz YHHXUPTXZNLHGG-VIFPVBQESA-N 0 0 321.764 3.307 20 10 DGCDRN O=C(C[C@H]1CCC2(CCC2)O1)Nc1c2nonc2ccc1Cl ZINC001333519239 1178618624 /nfs/dbraw/zinc/61/86/24/1178618624.db2.gz YHHXUPTXZNLHGG-SECBINFHSA-N 0 0 321.764 3.307 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCC[C@H]1CCC(F)(F)C1 ZINC001333619990 1178640236 /nfs/dbraw/zinc/64/02/36/1178640236.db2.gz YUBIKQGIUDZXFC-FXMSTWTQSA-N 0 0 311.328 3.053 20 10 DGCDRN Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001600808646 1192900315 /nfs/dbraw/zinc/90/03/15/1192900315.db2.gz WTFRGMPSDHZFEH-DTWKUNHWSA-N 0 0 304.346 3.107 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3)c1 ZINC001335269185 1178882331 /nfs/dbraw/zinc/88/23/31/1178882331.db2.gz CQYPQDIVTIIMQY-NDNKKMJESA-N 0 0 321.442 3.256 20 10 DGCDRN O=C(C[C@@H]1CC[C@@H](C2CC2)O1)Nc1c2nonc2ccc1Cl ZINC001335287884 1178885940 /nfs/dbraw/zinc/88/59/40/1178885940.db2.gz CVFPZSIFVLVMSO-CABZTGNLSA-N 0 0 321.764 3.162 20 10 DGCDRN CCOc1cccc([C@H](C)NC(=O)NCc2ccc(N)cc2)c1 ZINC001335399393 1178905675 /nfs/dbraw/zinc/90/56/75/1178905675.db2.gz ZRIGEZMNYYRDBH-ZDUSSCGKSA-N 0 0 313.401 3.228 20 10 DGCDRN Nc1ccc(CNC(=O)NCC2(C(F)(F)F)CCCC2)cc1 ZINC001335590335 1178934111 /nfs/dbraw/zinc/93/41/11/1178934111.db2.gz KYGXWNUFYHPQDS-UHFFFAOYSA-N 0 0 315.339 3.191 20 10 DGCDRN Nc1ccc(CNC(=O)NCC2(c3ccccc3)CCC2)cc1 ZINC001335676957 1178942016 /nfs/dbraw/zinc/94/20/16/1178942016.db2.gz MMTGFHDWQNQQQC-UHFFFAOYSA-N 0 0 309.413 3.190 20 10 DGCDRN CC(C)(C)C[C@H](NC(=O)NCc1ccc(N)cc1)C(F)(F)F ZINC001335737191 1178946880 /nfs/dbraw/zinc/94/68/80/1178946880.db2.gz LVTJMKAVLAEAJL-LBPRGKRZSA-N 0 0 317.355 3.435 20 10 DGCDRN C[C@H]1c2c(F)cccc2CCN1C(=O)NCc1ccc(N)cc1 ZINC001335736716 1178947172 /nfs/dbraw/zinc/94/71/72/1178947172.db2.gz GPIYDYFWTBPFSV-LBPRGKRZSA-N 0 0 313.376 3.237 20 10 DGCDRN CC(C)[C@H](Cc1ccccc1)NC(=O)NCc1ccc(N)cc1 ZINC001336162237 1178999482 /nfs/dbraw/zinc/99/94/82/1178999482.db2.gz BHFJDEQGNJTLPL-SFHVURJKSA-N 0 0 311.429 3.335 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1C[C@H](C)[C@H](C)[C@@H]1C ZINC001342569381 1179154851 /nfs/dbraw/zinc/15/48/51/1179154851.db2.gz MEELZKOCGUVNCA-DCAQKATOSA-N 0 0 306.435 3.213 20 10 DGCDRN CO[C@@H]1CCC[C@@H](CC(=O)Nc2c3nonc3ccc2Cl)C1 ZINC001342953723 1179214809 /nfs/dbraw/zinc/21/48/09/1179214809.db2.gz ZITHKAWSDVIPQV-NXEZZACHSA-N 0 0 323.780 3.410 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)c1csc([N+](=O)[O-])c1 ZINC001342952783 1179215146 /nfs/dbraw/zinc/21/51/46/1179215146.db2.gz SDRYTRDIQPCJGR-UHFFFAOYSA-N 0 0 324.705 3.098 20 10 DGCDRN O=C([O-])[C@H]1CCC[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC001601808769 1192946571 /nfs/dbraw/zinc/94/65/71/1192946571.db2.gz OFKFFPMTVMDASK-DLBZAZTESA-N 0 0 311.381 3.402 20 10 DGCDRN CC(C)Cn1c(C2SC=CC2=O)nnc1N1CC2CC1(C)C2 ZINC001343695185 1179318261 /nfs/dbraw/zinc/31/82/61/1179318261.db2.gz QNSHYBCBFQRRAJ-UHFFFAOYSA-N 0 0 318.446 3.357 20 10 DGCDRN CC[C@@H](C)n1nccc1C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC001346695967 1179736021 /nfs/dbraw/zinc/73/60/21/1179736021.db2.gz OSZZJZJSKPYJQJ-VXGBXAGGSA-N 0 0 317.389 3.059 20 10 DGCDRN C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)NCc1ccc(N)cc1 ZINC001346740233 1179741048 /nfs/dbraw/zinc/74/10/48/1179741048.db2.gz ZCGDLHZBUFKHHC-CRAIPNDOSA-N 0 0 323.440 3.432 20 10 DGCDRN COc1ccc(N2CC[C@H](Nc3ncc4ccccc4n3)C2)cc1 ZINC001347920621 1179821372 /nfs/dbraw/zinc/82/13/72/1179821372.db2.gz WSWXMTTYLBHVLP-HNNXBMFYSA-N 0 0 320.396 3.329 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@]1(C)CC1(F)F ZINC001352615063 1180370344 /nfs/dbraw/zinc/37/03/44/1180370344.db2.gz KRNHMMCTAGLNKK-INIZCTEOSA-N 0 0 308.372 3.291 20 10 DGCDRN C/C(=C/C(=O)N1CCCc2cc(F)c(F)cc21)c1cnccn1 ZINC001352650641 1180374413 /nfs/dbraw/zinc/37/44/13/1180374413.db2.gz OVVQOOPYLPBDSK-XFFZJAGNSA-N 0 0 315.323 3.138 20 10 DGCDRN Cc1cccc(Cl)c1NC(=S)NCc1ncccc1O ZINC001200206166 1180451605 /nfs/dbraw/zinc/45/16/05/1180451605.db2.gz NWZTWMUUWCULFR-UHFFFAOYSA-N 0 0 307.806 3.236 20 10 DGCDRN CC1(C)CN(C(=S)NCc2ccco2)Cc2ccccc21 ZINC001200558559 1180718565 /nfs/dbraw/zinc/71/85/65/1180718565.db2.gz CWNXDVSOJWRKSL-UHFFFAOYSA-N 0 0 300.427 3.448 20 10 DGCDRN Fc1ccc(NC(=S)NCc2ccc(Cl)cn2)cc1F ZINC001200702645 1180837363 /nfs/dbraw/zinc/83/73/63/1180837363.db2.gz QJYDZBJLHJXYIB-UHFFFAOYSA-N 0 0 313.760 3.500 20 10 DGCDRN CCN(CC)c1ccc(C=Cc2ccncc2-c2nn[nH]n2)cc1 ZINC001604288033 1193063753 /nfs/dbraw/zinc/06/37/53/1193063753.db2.gz HMQGMXWWAKMRFE-YVMONPNESA-N 0 0 320.400 3.278 20 10 DGCDRN C[C@H]([NH2+][C@H]1CC=C(C(=O)[O-])C1)c1cc2c(cc1O)CCCC2 ZINC001604329404 1193065267 /nfs/dbraw/zinc/06/52/67/1193065267.db2.gz JYLNOBUGRXTSFO-NHYWBVRUSA-N 0 0 301.386 3.095 20 10 DGCDRN C[C@H]([NH2+]Cc1ccccc1CC(=O)[O-])c1cc(F)ccc1O ZINC001604346534 1193067925 /nfs/dbraw/zinc/06/79/25/1193067925.db2.gz JOMKLVYMHRJGCN-NSHDSACASA-N 0 0 303.333 3.009 20 10 DGCDRN C[C@H]1c2ccc(F)cc2CCN1C(=O)NCc1ccc(N)cc1 ZINC001357790675 1181427205 /nfs/dbraw/zinc/42/72/05/1181427205.db2.gz FWKBTSDSLIVFFG-LBPRGKRZSA-N 0 0 313.376 3.237 20 10 DGCDRN C[C@@H](NC(=O)[C@H]1CCOC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001358148540 1181460918 /nfs/dbraw/zinc/46/09/18/1181460918.db2.gz QNMMVVOPAUPCFD-HIFRSBDPSA-N 0 0 304.434 3.135 20 10 DGCDRN CC[C@H](CC(F)(F)F)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001604983743 1193104035 /nfs/dbraw/zinc/10/40/35/1193104035.db2.gz MVZUOTGZAKAFKF-PSASIEDQSA-N 0 0 305.296 3.472 20 10 DGCDRN CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)C1(C(=O)[O-])CCC1 ZINC001605100355 1193113706 /nfs/dbraw/zinc/11/37/06/1193113706.db2.gz MMWACVIEHOIHHN-MRXNPFEDSA-N 0 0 304.434 3.184 20 10 DGCDRN C/C(=C\C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccco1 ZINC001434914121 1181778713 /nfs/dbraw/zinc/77/87/13/1181778713.db2.gz FEVWYCFBLUTDJP-FMIVXFBMSA-N 0 0 302.349 3.204 20 10 DGCDRN C/C(=C\C(=O)N(C)c1ccc(Cl)cc1F)c1cnccn1 ZINC001436074632 1181865307 /nfs/dbraw/zinc/86/53/07/1181865307.db2.gz SRYAQMSRQKRAAZ-JXMROGBWSA-N 0 0 305.740 3.335 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCC(C)(C)CO ZINC001545906922 1181934608 /nfs/dbraw/zinc/93/46/08/1181934608.db2.gz SCJJKHVETRGEAJ-UHFFFAOYSA-N 0 0 314.429 3.151 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCC=CO2)cc1 ZINC001440675448 1182045981 /nfs/dbraw/zinc/04/59/81/1182045981.db2.gz RVSTZEXCMXGDFW-KRWDZBQOSA-N 0 0 302.418 3.184 20 10 DGCDRN Cc1ccc(C(=O)NCc2cc3c(s2)CCCC3)c(O)c1O ZINC001441698395 1182068447 /nfs/dbraw/zinc/06/84/47/1182068447.db2.gz XIOYOHSVWXNPTO-UHFFFAOYSA-N 0 0 317.410 3.277 20 10 DGCDRN CCCC[C@@H](O)CCC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC001442341292 1182080221 /nfs/dbraw/zinc/08/02/21/1182080221.db2.gz GSVXYLBBVBUDGU-GOSISDBHSA-N 0 0 320.477 3.432 20 10 DGCDRN CCCOc1ccc(C[NH2+][C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)cc1C ZINC001605341824 1193143803 /nfs/dbraw/zinc/14/38/03/1193143803.db2.gz NJYIWUCTARVRPJ-VKJFTORMSA-N 0 0 303.402 3.127 20 10 DGCDRN COc1ccc2c(c1)[C@H](NC(=O)C1=CC(=O)CS1)CCC2 ZINC001447113023 1182183603 /nfs/dbraw/zinc/18/36/03/1182183603.db2.gz ZLPDIFKQKCNILP-CQSZACIVSA-N 0 0 303.383 3.270 20 10 DGCDRN O=C(Nc1cncc(F)c1)c1cc2cc(O)c(O)cc2s1 ZINC001448616231 1182209505 /nfs/dbraw/zinc/20/95/05/1182209505.db2.gz YJKGFVYLZBNISK-UHFFFAOYSA-N 0 0 304.302 3.099 20 10 DGCDRN CNC(=O)Nc1cc(NCc2ccc(C)cc2O)ccc1F ZINC001621325340 1193148595 /nfs/dbraw/zinc/14/85/95/1193148595.db2.gz NBHUMOHAIRGLJF-UHFFFAOYSA-N 0 0 303.337 3.203 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)c1ccc2[nH]ccc2c1 ZINC001451949036 1182277901 /nfs/dbraw/zinc/27/79/01/1182277901.db2.gz GMXBBIMTTLHOQQ-UHFFFAOYSA-N 0 0 317.348 3.352 20 10 DGCDRN O=C(Cc1nc(C2CC2)cs1)NCc1cc(Cl)ccc1O ZINC001452935503 1182305576 /nfs/dbraw/zinc/30/55/76/1182305576.db2.gz HXUZSZXIYDMJIF-UHFFFAOYSA-N 0 0 322.817 3.238 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](CO)CC(C)C)cc1 ZINC001452958219 1182305744 /nfs/dbraw/zinc/30/57/44/1182305744.db2.gz ZACLJHJHZIKRQZ-KRWDZBQOSA-N 0 0 314.429 3.231 20 10 DGCDRN C[C@H]1N(C(=O)Cc2ccc(O)c(O)c2)c2ccccc2C1(C)C ZINC001453430606 1182315847 /nfs/dbraw/zinc/31/58/47/1182315847.db2.gz HQEDJXIZAZORDZ-GFCCVEGCSA-N 0 0 311.381 3.353 20 10 DGCDRN CO[C@H]1C[C@H](NC(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC001454408131 1182340823 /nfs/dbraw/zinc/34/08/23/1182340823.db2.gz GLKPDBQAQXGDEC-JOCQHMNTSA-N 0 0 304.415 3.063 20 10 DGCDRN CCc1ccc(C(=O)N[C@H](C)c2ccccc2O)cc1[N+](=O)[O-] ZINC001454808242 1182353827 /nfs/dbraw/zinc/35/38/27/1182353827.db2.gz UJEFMAXDITYBAI-LLVKDONJSA-N 0 0 314.341 3.354 20 10 DGCDRN O=C(Nc1ccc2cc(Cl)cnc2n1)C1=CC(=O)CS1 ZINC001455015576 1182357660 /nfs/dbraw/zinc/35/76/60/1182357660.db2.gz BATBAADDTVIFQS-UHFFFAOYSA-N 0 0 305.746 3.303 20 10 DGCDRN Cc1ccc(C(=O)N2CC([C@@H]3CCC[C@H](C)C3)C2)c(O)c1O ZINC001455012253 1182358048 /nfs/dbraw/zinc/35/80/48/1182358048.db2.gz YONIHULFEWGVLE-WCQYABFASA-N 0 0 303.402 3.305 20 10 DGCDRN Cc1ccc(C(=O)N2CC([C@H]3CCC[C@@H](C)C3)C2)c(O)c1O ZINC001455012254 1182358160 /nfs/dbraw/zinc/35/81/60/1182358160.db2.gz YONIHULFEWGVLE-YPMHNXCESA-N 0 0 303.402 3.305 20 10 DGCDRN C[C@@H](Cn1ccc2ccccc21)C(=O)NCc1cccc(O)c1O ZINC001455317319 1182366301 /nfs/dbraw/zinc/36/63/01/1182366301.db2.gz TTWSSMJXYRLVOD-ZDUSSCGKSA-N 0 0 324.380 3.005 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1cc2cc(F)ccc2s1 ZINC001455357975 1182366958 /nfs/dbraw/zinc/36/69/58/1182366958.db2.gz ZAUPUKWOLHAXLA-UHFFFAOYSA-N 0 0 317.341 3.382 20 10 DGCDRN O=C(Cc1c[nH]c2ccc(F)cc12)NCc1c(O)cccc1F ZINC001456028446 1182393788 /nfs/dbraw/zinc/39/37/88/1182393788.db2.gz INNMEHCAMAAWFE-UHFFFAOYSA-N 0 0 316.307 3.011 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cc2cc(F)ccc2o1 ZINC001456031635 1182395004 /nfs/dbraw/zinc/39/50/04/1182395004.db2.gz YQQNXNWZTRQCGL-UHFFFAOYSA-N 0 0 303.264 3.347 20 10 DGCDRN C[C@H](CSc1ccccc1)C(=O)NCc1c(O)cccc1O ZINC001456236826 1182407205 /nfs/dbraw/zinc/40/72/05/1182407205.db2.gz QXKAUHWESMCHTJ-GFCCVEGCSA-N 0 0 317.410 3.142 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1cc2cc(Cl)sc2[nH]1 ZINC001456323602 1182409509 /nfs/dbraw/zinc/40/95/09/1182409509.db2.gz URBCLYAVNBLELJ-UHFFFAOYSA-N 0 0 322.773 3.224 20 10 DGCDRN COc1cccc(CC(=O)NCc2c(O)ccc3ccccc32)c1 ZINC001456312382 1182409605 /nfs/dbraw/zinc/40/96/05/1182409605.db2.gz RWDQGUQNMQYVGF-UHFFFAOYSA-N 0 0 321.376 3.413 20 10 DGCDRN O=C(/C=C\c1ccc(Cl)cc1)NCc1c(O)cccc1O ZINC001456313773 1182409716 /nfs/dbraw/zinc/40/97/16/1182409716.db2.gz HJYFOQVPBOJFCE-TWGQIWQCSA-N 0 0 303.745 3.081 20 10 DGCDRN O=C(C=Cc1ccc(O)c(O)c1)Nc1n[nH]cc1-c1ccccc1 ZINC001456907376 1182435163 /nfs/dbraw/zinc/43/51/63/1182435163.db2.gz FWJCWFAVNFDBOD-CLFYSBASSA-N 0 0 321.336 3.140 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC001457525195 1182469734 /nfs/dbraw/zinc/46/97/34/1182469734.db2.gz LADXBTWOUQVFBF-CQSZACIVSA-N 0 0 311.345 3.154 20 10 DGCDRN CCC[C@H](CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC001458046683 1182492460 /nfs/dbraw/zinc/49/24/60/1182492460.db2.gz XDUOMELVUGAPPH-HNNXBMFYSA-N 0 0 304.434 3.170 20 10 DGCDRN COC(=O)c1cc(OCc2c(F)cccc2F)ccc1N(C)C ZINC001459243776 1182575486 /nfs/dbraw/zinc/57/54/86/1182575486.db2.gz VLKOOBXMGNBKQL-UHFFFAOYSA-N 0 0 321.323 3.396 20 10 DGCDRN COc1ccc(N(C)CCOc2ccc3c(c2)OCO3)cc1F ZINC001459718125 1182610098 /nfs/dbraw/zinc/61/00/98/1182610098.db2.gz QXXZVAIEOJVZLT-UHFFFAOYSA-N 0 0 319.332 3.078 20 10 DGCDRN Oc1ccccc1CN(Cc1cnsn1)Cc1ccco1 ZINC001459733814 1182610833 /nfs/dbraw/zinc/61/08/33/1182610833.db2.gz IDIDLBZPUYZDNJ-UHFFFAOYSA-N 0 0 301.371 3.039 20 10 DGCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1nonc1C ZINC001460286063 1182673355 /nfs/dbraw/zinc/67/33/55/1182673355.db2.gz PHNRRVDXSCJVDZ-AWEZNQCLSA-N 0 0 301.390 3.222 20 10 DGCDRN CN(C)c1ccc(/C=C/CNc2ccc3c(c2)NC(=O)CO3)cc1 ZINC001461073143 1182764270 /nfs/dbraw/zinc/76/42/70/1182764270.db2.gz FCJPKBGRPCNXLG-ONEGZZNKSA-N 0 0 323.396 3.209 20 10 DGCDRN COCC1(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC001461229756 1182783671 /nfs/dbraw/zinc/78/36/71/1182783671.db2.gz HYACDCOCOYPJDO-UHFFFAOYSA-N 0 0 312.413 3.251 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H](CO)c1ccccc1 ZINC001461258593 1182787815 /nfs/dbraw/zinc/78/78/15/1182787815.db2.gz YYSDAUPSWFTBPX-CYBMUJFWSA-N 0 0 309.768 3.050 20 10 DGCDRN CN(C)c1cc(F)c(CNc2cccc(NC(N)=O)c2)cc1F ZINC001461305013 1182793794 /nfs/dbraw/zinc/79/37/94/1182793794.db2.gz WDVXCLSALJPLFI-UHFFFAOYSA-N 0 0 320.343 3.134 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCOc2ccccc2Cl)c1 ZINC001461370268 1182800730 /nfs/dbraw/zinc/80/07/30/1182800730.db2.gz SOBBAMQXGZLXIQ-UHFFFAOYSA-N 0 0 322.748 3.122 20 10 DGCDRN CCN(C)C(=O)c1cccc(NCc2cc(F)cc(F)c2O)c1 ZINC001461496113 1182819282 /nfs/dbraw/zinc/81/92/82/1182819282.db2.gz UEFXYAJEWGWGJK-UHFFFAOYSA-N 0 0 320.339 3.374 20 10 DGCDRN CCc1cccc(CNc2c[nH]c(C(=O)N3CCCC3)c2)c1O ZINC001462061451 1182903432 /nfs/dbraw/zinc/90/34/32/1182903432.db2.gz GHTBAOCJPORLFU-UHFFFAOYSA-N 0 0 313.401 3.131 20 10 DGCDRN COC(=O)CCc1ccc(NCc2cccc(F)c2O)cc1 ZINC001462075638 1182904337 /nfs/dbraw/zinc/90/43/37/1182904337.db2.gz IXJORMLBLXFYPC-UHFFFAOYSA-N 0 0 303.333 3.249 20 10 DGCDRN Cc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(O)c1 ZINC001462220279 1182924799 /nfs/dbraw/zinc/92/47/99/1182924799.db2.gz ORYILTIQDDDNLT-UHFFFAOYSA-N 0 0 300.358 3.283 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]C[C@H]1CCN1C1CCCCC1 ZINC001462434067 1182953125 /nfs/dbraw/zinc/95/31/25/1182953125.db2.gz BFHQRIBBTGWEOL-CQSZACIVSA-N 0 0 310.388 3.167 20 10 DGCDRN Cc1ccc(/C=C/C(=O)NCc2ccc(N3CCCC3)cc2)cn1 ZINC001464076313 1183069919 /nfs/dbraw/zinc/06/99/19/1183069919.db2.gz GBIANVCIBIOSEH-DHZHZOJOSA-N 0 0 321.424 3.320 20 10 DGCDRN CC(C)N(C)c1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001464850780 1183116353 /nfs/dbraw/zinc/11/63/53/1183116353.db2.gz PFFGTAAAIPESNJ-UHFFFAOYSA-N 0 0 314.385 3.124 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc3ccncc32)c1 ZINC001465993780 1183181937 /nfs/dbraw/zinc/18/19/37/1183181937.db2.gz WUEQHKNBKFYXKD-GFCCVEGCSA-N 0 0 322.364 3.440 20 10 DGCDRN COc1ccc(CNC(=O)c2nc3ccccc3cc2C)c(O)c1 ZINC001467470241 1183264287 /nfs/dbraw/zinc/26/42/87/1183264287.db2.gz ILYPTYPABGMLQZ-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCC[C@@H]2CC=CCC2)cc1F ZINC001468354669 1183327413 /nfs/dbraw/zinc/32/74/13/1183327413.db2.gz QOFVIUZRRKYJFP-CQSZACIVSA-N 0 0 319.424 3.437 20 10 DGCDRN Cc1cc(C)cc(CCNC(=O)NCc2c(O)cccc2F)c1 ZINC001468909801 1183368682 /nfs/dbraw/zinc/36/86/82/1183368682.db2.gz XDMNOBFCEHOXEX-UHFFFAOYSA-N 0 0 316.376 3.190 20 10 DGCDRN C[C@H](CNC(=O)NCc1c(O)cccc1F)c1ccccc1 ZINC001469730344 1183433154 /nfs/dbraw/zinc/43/31/54/1183433154.db2.gz UZULEFIYZCEKTP-GFCCVEGCSA-N 0 0 302.349 3.134 20 10 DGCDRN C[C@H](NC(=O)N1CC[C@H]2[C@@H](C1)C2(F)F)c1ccc(N(C)C)cc1 ZINC001469854164 1183441926 /nfs/dbraw/zinc/44/19/26/1183441926.db2.gz PRQGKEQBAHFHFP-TUKIKUTGSA-N 0 0 323.387 3.110 20 10 DGCDRN O=C(/C=C\c1ccnc(Cl)c1)NCc1cc(Cl)ccc1O ZINC001469876282 1183443605 /nfs/dbraw/zinc/44/36/05/1183443605.db2.gz DSSQJJKEYZKHMV-RJRFIUFISA-N 0 0 323.179 3.424 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Cc2cn(C)c3ccccc23)c1 ZINC001470254560 1183473462 /nfs/dbraw/zinc/47/34/62/1183473462.db2.gz HSYXQILQENNAHT-UHFFFAOYSA-N 0 0 308.381 3.051 20 10 DGCDRN C[C@@H](NC(=O)NCc1noc2ccccc21)c1ccccc1O ZINC001471313092 1183553911 /nfs/dbraw/zinc/55/39/11/1183553911.db2.gz RMBFQYVZRFKSJR-LLVKDONJSA-N 0 0 311.341 3.094 20 10 DGCDRN COc1cccc(/C(C)=C\C(=O)N2Cc3cccc(O)c3C2)c1 ZINC001471355563 1183558214 /nfs/dbraw/zinc/55/82/14/1183558214.db2.gz LIBNMBOZYFBQQK-LCYFTJDESA-N 0 0 309.365 3.347 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)NC[C@]12C[C@H]1CCC2 ZINC001471416551 1183561810 /nfs/dbraw/zinc/56/18/10/1183561810.db2.gz NVYHLNCQGNRNFT-KUHUBIRLSA-N 0 0 314.429 3.260 20 10 DGCDRN O=C(NCc1cccc(O)c1O)C1(Sc2ccccc2)CC1 ZINC001471642173 1183580341 /nfs/dbraw/zinc/58/03/41/1183580341.db2.gz MTAOEUVFAWYKNK-UHFFFAOYSA-N 0 0 315.394 3.039 20 10 DGCDRN CCC[C@@H](OCC)C(=O)NCc1c(O)ccc2ccccc21 ZINC001472085484 1183614200 /nfs/dbraw/zinc/61/42/00/1183614200.db2.gz UILRIUUCVPNPJO-QGZVFWFLSA-N 0 0 301.386 3.367 20 10 DGCDRN CCc1cc(C(=O)NCc2c(O)ccc3ccccc32)cc(=O)[nH]1 ZINC001472085297 1183614567 /nfs/dbraw/zinc/61/45/67/1183614567.db2.gz PHXPOMHRTAHGDV-UHFFFAOYSA-N 0 0 322.364 3.138 20 10 DGCDRN Cc1c(F)ccc(N)c1C(=O)NCc1cccc(Cl)c1O ZINC001472316914 1183634023 /nfs/dbraw/zinc/63/40/23/1183634023.db2.gz MUSASKHLOZFNOE-UHFFFAOYSA-N 0 0 308.740 3.005 20 10 DGCDRN Cc1ccc(COCC(=O)NCc2cccc(Cl)c2O)cc1 ZINC001472317211 1183634556 /nfs/dbraw/zinc/63/45/56/1183634556.db2.gz ZUABQXYSCSQZRS-UHFFFAOYSA-N 0 0 319.788 3.187 20 10 DGCDRN CC[C@@H](CNC(=O)c1c(F)ccc(O)c1O)c1ccccc1 ZINC001472499474 1183649128 /nfs/dbraw/zinc/64/91/28/1183649128.db2.gz MNWXEQKEFGNHHZ-NSHDSACASA-N 0 0 303.333 3.161 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)Nc1ncnc2[nH]ccc21 ZINC001472808266 1183684144 /nfs/dbraw/zinc/68/41/44/1183684144.db2.gz MLCWBYFULICRQQ-ZDUSSCGKSA-N 0 0 309.417 3.375 20 10 DGCDRN COC(=O)c1cc(OCCSC(F)(F)F)ccc1N(C)C ZINC001473077411 1183713104 /nfs/dbraw/zinc/71/31/04/1183713104.db2.gz SXKNIOSUNOMHPM-UHFFFAOYSA-N 0 0 323.336 3.171 20 10 DGCDRN CCOC(=O)C1(NCc2ccc(N(C)C)c(C)c2)CCCCC1 ZINC001473239071 1183733248 /nfs/dbraw/zinc/73/32/48/1183733248.db2.gz KDXPPFXDHHVSIK-UHFFFAOYSA-N 0 0 318.461 3.417 20 10 DGCDRN COc1ccc(N(C)C[C@H]2CC[C@@H](C(F)(F)F)O2)cc1F ZINC001473251864 1183736598 /nfs/dbraw/zinc/73/65/98/1183736598.db2.gz XWPDCSPFWKBXER-MFKMUULPSA-N 0 0 307.287 3.380 20 10 DGCDRN COc1ccc(N(CCC(C)C)C[C@H]2CCC3(COC3)O2)cc1 ZINC001473445454 1183757485 /nfs/dbraw/zinc/75/74/85/1183757485.db2.gz LJIHMDZEMQMWIQ-GOSISDBHSA-N 0 0 319.445 3.496 20 10 DGCDRN COc1ccc(N(C)C[C@H]2CN(C3CCCCC3)C(=O)O2)cc1 ZINC001473612944 1183781442 /nfs/dbraw/zinc/78/14/42/1183781442.db2.gz CLTSOSRMHVOOQP-KRWDZBQOSA-N 0 0 318.417 3.285 20 10 DGCDRN Oc1c(F)cc(F)cc1CNc1cccc(OCC(F)F)n1 ZINC001474098519 1183867468 /nfs/dbraw/zinc/86/74/68/1183867468.db2.gz CLQJYWRMCDCNKB-UHFFFAOYSA-N 0 0 316.254 3.321 20 10 DGCDRN Cc1ccc2c(c1)nc(C[NH2+]Cc1cc(F)c(F)cc1[O-])n2C ZINC001474462411 1183925612 /nfs/dbraw/zinc/92/56/12/1183925612.db2.gz BOAYPOLTEUQQOU-UHFFFAOYSA-N 0 0 317.339 3.155 20 10 DGCDRN CNC(=O)c1ccc(NCc2cc(Cl)c(C)cc2O)cc1 ZINC001474482876 1183929563 /nfs/dbraw/zinc/92/95/63/1183929563.db2.gz JBPLDWBCUUNJDN-UHFFFAOYSA-N 0 0 304.777 3.326 20 10 DGCDRN COc1ccc(N(C)Cc2ccccc2OCCCCO)cc1 ZINC001474613282 1183949677 /nfs/dbraw/zinc/94/96/77/1183949677.db2.gz ILHPFLNRPHMMKV-UHFFFAOYSA-N 0 0 315.413 3.483 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC001474671116 1183958128 /nfs/dbraw/zinc/95/81/28/1183958128.db2.gz RLVLCDJSDFUKFI-KOLCDFICSA-N 0 0 301.814 3.370 20 10 DGCDRN CC1(C)CCC[C@@](O)(C[NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC001474663453 1183958537 /nfs/dbraw/zinc/95/85/37/1183958537.db2.gz KCEUPWAFJTVEGA-KRWDZBQOSA-N 0 0 313.388 3.481 20 10 DGCDRN COc1c([O-])c(C[NH2+]C[C@@H]2C[C@@H]2C2CCCC2)ccc1[N+](=O)[O-] ZINC001474755269 1183973376 /nfs/dbraw/zinc/97/33/76/1183973376.db2.gz ISHUAJQLJLPVIX-UONOGXRCSA-N 0 0 320.389 3.225 20 10 DGCDRN Cc1cc(CNC(=O)Nc2ccn(C)n2)c(C)n1-c1ccccc1 ZINC001476068005 1184026738 /nfs/dbraw/zinc/02/67/38/1184026738.db2.gz CCDVEQBYBKEAAE-UHFFFAOYSA-N 0 0 323.400 3.149 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2cc3n[nH]cc3c(C)c2)c1 ZINC001476295926 1184033791 /nfs/dbraw/zinc/03/37/91/1184033791.db2.gz UWLUUEFUHHAEIM-UHFFFAOYSA-N 0 0 310.357 3.207 20 10 DGCDRN Cn1ccc2cccc(NC(=O)N3Cc4cccc(O)c4C3)c21 ZINC001476415981 1184039183 /nfs/dbraw/zinc/03/91/83/1184039183.db2.gz ITMMEPMMTHKTMU-UHFFFAOYSA-N 0 0 307.353 3.432 20 10 DGCDRN COc1cccc(NC(=O)N[C@H](C)c2ccccc2O)c1F ZINC001476464759 1184040478 /nfs/dbraw/zinc/04/04/78/1184040478.db2.gz XYCOEWCYHQJYTM-SNVBAGLBSA-N 0 0 304.321 3.423 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)C(F)F)cc1F ZINC001477036672 1184064389 /nfs/dbraw/zinc/06/43/89/1184064389.db2.gz VKNHTJJYGUIWSZ-JTQLQIEISA-N 0 0 317.355 3.125 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCC(C)(C)C2CC2)cc1F ZINC001477653167 1184104301 /nfs/dbraw/zinc/10/43/01/1184104301.db2.gz NCEPKHQTDLQXKE-UHFFFAOYSA-N 0 0 307.413 3.127 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1C[C@]1(C)C(C)C ZINC001477855781 1184114863 /nfs/dbraw/zinc/11/48/63/1184114863.db2.gz WDYNXQUBRDLGFY-FUHWJXTLSA-N 0 0 303.450 3.295 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)c(C)n1-c1cccc(C)c1 ZINC001608089840 1193278049 /nfs/dbraw/zinc/27/80/49/1193278049.db2.gz PKCGMKJOWLEWFQ-QXAKKESOSA-N 0 0 324.424 3.452 20 10 DGCDRN O=C([O-])c1cnc(S[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC001608978784 1193317652 /nfs/dbraw/zinc/31/76/52/1193317652.db2.gz RJFGIFFGQCBMPA-LBPRGKRZSA-N 0 0 320.439 3.208 20 10 DGCDRN CC(C)[N@H+](Cc1ccc(C(=O)[O-])o1)Cc1ccc(N(C)C)cc1 ZINC001609705247 1193351113 /nfs/dbraw/zinc/35/11/13/1193351113.db2.gz IEHVVZPOABQNMK-UHFFFAOYSA-N 0 0 316.401 3.454 20 10 DGCDRN CCCC(O)(CCC)C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001609958633 1193368232 /nfs/dbraw/zinc/36/82/32/1193368232.db2.gz SPKSEPVNWZTSCP-LBPRGKRZSA-N 0 0 309.406 3.072 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[C@H](CC(=O)[O-])[C@H]1C ZINC001610466125 1193390765 /nfs/dbraw/zinc/39/07/65/1193390765.db2.gz DTNDTDHEXVTJMP-CKEIUWERSA-N 0 0 304.434 3.040 20 10 DGCDRN Cc1ccccc1CC(C)(C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001546299427 1186275718 /nfs/dbraw/zinc/27/57/18/1186275718.db2.gz HBWUOGLVSSIGDG-UHFFFAOYSA-N 0 0 313.397 3.086 20 10 DGCDRN C[C@@H](NC(=O)c1c(F)ccc(O)c1O)[C@H]1CC2CCC1CC2 ZINC001611538685 1193436782 /nfs/dbraw/zinc/43/67/82/1193436782.db2.gz ZUMWZWZDIQIFGL-HBIQZDMRSA-N 0 0 307.365 3.182 20 10 DGCDRN C[C@@H](NC(=O)c1cccnc1Br)c1ccccc1O ZINC001611624778 1193438685 /nfs/dbraw/zinc/43/86/85/1193438685.db2.gz YLBHRPPRODHZGV-SECBINFHSA-N 0 0 321.174 3.041 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)C3(C4CC4)CC3)C2)cc1 ZINC001518477566 1186842571 /nfs/dbraw/zinc/84/25/71/1186842571.db2.gz UCMPZPYNRSUFMD-AWEZNQCLSA-N 0 0 315.413 3.255 20 10 DGCDRN O=C(CCc1cccc(O)c1)NCc1ccc(N2CCCC2)cc1 ZINC001518913290 1186857203 /nfs/dbraw/zinc/85/72/03/1186857203.db2.gz RVPIQADUHOBKLS-UHFFFAOYSA-N 0 0 324.424 3.241 20 10 DGCDRN C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)Nc1c2nonc2ccc1Cl ZINC001520359751 1186936455 /nfs/dbraw/zinc/93/64/55/1186936455.db2.gz VLBSYFKBGZWKLV-KYXWUPHJSA-N 0 0 305.765 3.497 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1nc(C2CC2)cs1 ZINC001520804443 1186970227 /nfs/dbraw/zinc/97/02/27/1186970227.db2.gz YZNIOELNCXEDAU-UHFFFAOYSA-N 0 0 308.790 3.310 20 10 DGCDRN CCN1CCN(C(=O)c2cccc3c2CCN3)c2ccccc21 ZINC001521482063 1187025913 /nfs/dbraw/zinc/02/59/13/1187025913.db2.gz CYSTYIVYIMOCFF-UHFFFAOYSA-N 0 0 307.397 3.141 20 10 DGCDRN O=[N+]([O-])c1ccc(NCc2c(O)cccc2O)c2ccncc21 ZINC001612970150 1193465104 /nfs/dbraw/zinc/46/51/04/1193465104.db2.gz UUJQEHIOCRHQQK-UHFFFAOYSA-N 0 0 311.297 3.166 20 10 DGCDRN COCC1(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCC1 ZINC001523554698 1187171405 /nfs/dbraw/zinc/17/14/05/1187171405.db2.gz YBENJUKMUAHZDV-UHFFFAOYSA-N 0 0 316.445 3.062 20 10 DGCDRN CCc1nc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)co1 ZINC001525106893 1187296803 /nfs/dbraw/zinc/29/68/03/1187296803.db2.gz OAWCCYTXZOPKGV-UHFFFAOYSA-N 0 0 313.401 3.109 20 10 DGCDRN CC(C)(C)c1ncc(/C=C/C(=O)N2CCc3cccnc32)s1 ZINC001527463045 1187430577 /nfs/dbraw/zinc/43/05/77/1187430577.db2.gz YYTHLIZEFCVRSE-VOTSOKGWSA-N 0 0 313.426 3.438 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)CCC2CCC2)cc1 ZINC001527596362 1187438301 /nfs/dbraw/zinc/43/83/01/1187438301.db2.gz WWAJRHYATYJEAX-UHFFFAOYSA-N 0 0 304.434 3.170 20 10 DGCDRN Cc1ccc(Cl)c2c1CCCN2C(=O)/C=C\c1cnn(C)c1 ZINC001528789820 1187512623 /nfs/dbraw/zinc/51/26/23/1187512623.db2.gz MQVCSUIDOBLQAU-VURMDHGXSA-N 0 0 315.804 3.375 20 10 DGCDRN CCN(C(=O)/C=C\c1cn(C)cn1)c1ccc(Cl)c(F)c1 ZINC001530330701 1187621380 /nfs/dbraw/zinc/62/13/80/1187621380.db2.gz UANUQEJTKQLYFP-DAXSKMNVSA-N 0 0 307.756 3.279 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)CC2CCCC2)cc1 ZINC001530897193 1187652692 /nfs/dbraw/zinc/65/26/92/1187652692.db2.gz NUCAJGUKNVSUAB-UHFFFAOYSA-N 0 0 304.434 3.170 20 10 DGCDRN CCCn1c(C)nnc1N(C)Cc1ccc(N2CCCC2)cc1 ZINC001614771361 1193505631 /nfs/dbraw/zinc/50/56/31/1193505631.db2.gz DHRKWLIUTHLCDW-UHFFFAOYSA-N 0 0 313.449 3.233 20 10 DGCDRN O=C(CSc1ncc(Cl)s1)Nc1ccc(O)cc1 ZINC001614767398 1193505636 /nfs/dbraw/zinc/50/56/36/1193505636.db2.gz BISHFJBNHWVYHE-UHFFFAOYSA-N 0 0 300.792 3.233 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@]23C[C@H]2COC3(C)C)cc1 ZINC001532204170 1187739869 /nfs/dbraw/zinc/73/98/69/1187739869.db2.gz FPEUZMKULFRTMW-OXJNMPFZSA-N 0 0 324.424 3.391 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H]1CC=CCC1 ZINC001532654979 1187774933 /nfs/dbraw/zinc/77/49/33/1187774933.db2.gz HTIUTBCNJSEXAQ-AWEZNQCLSA-N 0 0 300.402 3.224 20 10 DGCDRN CN1CCN(C(=O)/C=C/c2cccnc2)c2ccc(Cl)cc21 ZINC001534211548 1187882846 /nfs/dbraw/zinc/88/28/46/1187882846.db2.gz QSJQTEBDEKWPNU-QPJJXVBHSA-N 0 0 313.788 3.231 20 10 DGCDRN COc1ccc(N(C)Cc2cccnc2[N+](=O)[O-])cc1Cl ZINC001616055696 1193531748 /nfs/dbraw/zinc/53/17/48/1193531748.db2.gz FPTJEJZJEGJZPK-UHFFFAOYSA-N 0 0 307.737 3.288 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C(C)(Cl)Cl ZINC001539468415 1188191878 /nfs/dbraw/zinc/19/18/78/1188191878.db2.gz LPEIIYKQQMRLII-UHFFFAOYSA-N 0 0 315.244 3.439 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)[C@H]3CCC=CO3)cc2)CC1 ZINC001616694153 1193545365 /nfs/dbraw/zinc/54/53/65/1193545365.db2.gz FFPFGODRRCDPKY-GOSISDBHSA-N 0 0 314.429 3.232 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCC2CC2)ccc1C ZINC001540577106 1188246562 /nfs/dbraw/zinc/24/65/62/1188246562.db2.gz LAIQQCWJKIMAIL-UHFFFAOYSA-N 0 0 310.397 3.355 20 10 DGCDRN CCN(Cc1cccc(Cl)c1)C(=O)Cc1ccc(O)c(O)c1 ZINC001540716953 1188256994 /nfs/dbraw/zinc/25/69/94/1188256994.db2.gz RACTUYZZQMFYOM-UHFFFAOYSA-N 0 0 319.788 3.342 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NCc2ccc(F)c(F)c2)cc1 ZINC001540786680 1188260927 /nfs/dbraw/zinc/26/09/27/1188260927.db2.gz GKDKBOGLUPQQNL-UHFFFAOYSA-N 0 0 318.283 3.057 20 10 DGCDRN CC(C)[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001540807680 1188262801 /nfs/dbraw/zinc/26/28/01/1188262801.db2.gz LJPLAXHKTFMAAR-MRXNPFEDSA-N 0 0 313.397 3.196 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CC[C@H](c3ccccc3)C2)cc1 ZINC001542379623 1188283614 /nfs/dbraw/zinc/28/36/14/1188283614.db2.gz TZPWTJZLVNHZLS-HNNXBMFYSA-N 0 0 322.368 3.479 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cccc(O)c2F)cc1 ZINC001543179295 1188317881 /nfs/dbraw/zinc/31/78/81/1188317881.db2.gz FFPLDQGPYUVICZ-UHFFFAOYSA-N 0 0 316.376 3.308 20 10 DGCDRN CNc1ccc(Cl)c(C(=O)NCc2ccc(OC)cc2O)c1 ZINC001617752491 1193580185 /nfs/dbraw/zinc/58/01/85/1193580185.db2.gz DHHQOPQUVUKQKE-UHFFFAOYSA-N 0 0 320.776 3.026 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)N[C@H]1C=CCC1 ZINC001562965783 1188759300 /nfs/dbraw/zinc/75/93/00/1188759300.db2.gz AOWWVZUZWWNCFI-ZDUSSCGKSA-N 0 0 319.368 3.236 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)COc1ccsn1 ZINC001617880458 1193584041 /nfs/dbraw/zinc/58/40/41/1193584041.db2.gz YIHRSBAGKULVRI-UHFFFAOYSA-N 0 0 320.414 3.056 20 10 DGCDRN CSc1cccnc1NC(=O)NCc1cccc(Cl)c1O ZINC001563034246 1188890592 /nfs/dbraw/zinc/89/05/92/1188890592.db2.gz JMVKPXFDWNKGRY-UHFFFAOYSA-N 0 0 323.805 3.484 20 10 DGCDRN CCCC[C@@H](O)CCC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001556260971 1188992310 /nfs/dbraw/zinc/99/23/10/1188992310.db2.gz WPZQQFJDNCTPAT-RHSMWYFYSA-N 0 0 306.450 3.261 20 10 DGCDRN C[C@H]1C[C@@H](c2ccccc2)N(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001556530032 1189005748 /nfs/dbraw/zinc/00/57/48/1189005748.db2.gz YRXWMZHGBDIYTE-BBRMVZONSA-N 0 0 311.381 3.250 20 10 DGCDRN CCCn1c(C(=O)NCc2ccc(O)cc2O)cc2ccccc21 ZINC001557084859 1189039787 /nfs/dbraw/zinc/03/97/87/1189039787.db2.gz QPTIVQDPEQVADR-UHFFFAOYSA-N 0 0 324.380 3.393 20 10 DGCDRN O=C(CCCc1c[nH]c2ccccc12)NCc1ccc(O)cc1O ZINC001557084799 1189039804 /nfs/dbraw/zinc/03/98/04/1189039804.db2.gz OVVPHRXLZZOQDB-UHFFFAOYSA-N 0 0 324.380 3.218 20 10 DGCDRN Cc1cccc(C(=O)NCc2ccc3cccnc3c2O)c1F ZINC001557124030 1189042620 /nfs/dbraw/zinc/04/26/20/1189042620.db2.gz TVGKKWHBGUXWOB-UHFFFAOYSA-N 0 0 310.328 3.318 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC(C2CCCCC2)CC1 ZINC001557382431 1189061141 /nfs/dbraw/zinc/06/11/41/1189061141.db2.gz OQYDDOGDFOQNOU-UHFFFAOYSA-N 0 0 317.429 3.459 20 10 DGCDRN C[C@H]1CC[C@@](C)(CNC(=O)Cc2ccc(O)c(O)c2)C1(C)C ZINC001557415154 1189063623 /nfs/dbraw/zinc/06/36/23/1189063623.db2.gz ZRIWJCUHDGOESY-SGTLLEGYSA-N 0 0 305.418 3.219 20 10 DGCDRN Cc1cc(C(=O)NC/C=C\CO)c(C)n1-c1ccc(Cl)cc1 ZINC001557427427 1189064109 /nfs/dbraw/zinc/06/41/09/1189064109.db2.gz CPJCWYFXSAKOPY-ARJAWSKDSA-N 0 0 318.804 3.026 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cnc(CC(C)C)s2)c1 ZINC001557552647 1189070947 /nfs/dbraw/zinc/07/09/47/1189070947.db2.gz LRQOYHQLXSQWAK-UHFFFAOYSA-N 0 0 304.415 3.286 20 10 DGCDRN Cc1cc(F)cc(C(=O)N[C@@H](C)c2ccccc2O)c1[N+](=O)[O-] ZINC001557967360 1189095281 /nfs/dbraw/zinc/09/52/81/1189095281.db2.gz ABVDGGOOTDOTBE-JTQLQIEISA-N 0 0 318.304 3.239 20 10 DGCDRN C[C@H](NC(=O)c1ncc2cc(Cl)ccn21)c1ccccc1O ZINC001557968288 1189095778 /nfs/dbraw/zinc/09/57/78/1189095778.db2.gz FWQUTGFSXAHXKK-JTQLQIEISA-N 0 0 315.760 3.184 20 10 DGCDRN O=C(CCCc1ccccc1Cl)NCc1cccc(O)c1O ZINC001558160791 1189107849 /nfs/dbraw/zinc/10/78/49/1189107849.db2.gz AERREYOABFHERM-UHFFFAOYSA-N 0 0 319.788 3.390 20 10 DGCDRN Cc1ccc2[nH]c(C(=O)NCc3cccc(O)c3O)cc2c1C ZINC001558159596 1189108014 /nfs/dbraw/zinc/10/80/14/1189108014.db2.gz IMCZMUJIUFKYGU-UHFFFAOYSA-N 0 0 310.353 3.126 20 10 DGCDRN O=C(/C=C\Sc1ccccc1)NCc1cccc(O)c1O ZINC001558160908 1189108395 /nfs/dbraw/zinc/10/83/95/1189108395.db2.gz DHSIFQJPIZRWEG-KTKRTIGZSA-N 0 0 301.367 3.020 20 10 DGCDRN Cc1ccc(C(=O)NC(C)(C)c2ccc(F)cc2F)c(O)c1O ZINC001558373362 1189120944 /nfs/dbraw/zinc/12/09/44/1189120944.db2.gz REPBKGCLPPJPQJ-UHFFFAOYSA-N 0 0 321.323 3.350 20 10 DGCDRN C[C@@H](CCCc1ccccc1)C(=O)NCc1c(O)cccc1O ZINC001558533803 1189132312 /nfs/dbraw/zinc/13/23/12/1189132312.db2.gz KKZMPRXFZRCDJT-AWEZNQCLSA-N 0 0 313.397 3.373 20 10 DGCDRN CCSc1ccc(C(=O)NCc2cccc(Cl)c2O)cn1 ZINC001558756868 1189146215 /nfs/dbraw/zinc/14/62/15/1189146215.db2.gz FPEYYCULNIWMGJ-UHFFFAOYSA-N 0 0 322.817 3.483 20 10 DGCDRN COc1ccc(C(=O)NCc2cccc(Cl)c2O)cc1C ZINC001558757510 1189146442 /nfs/dbraw/zinc/14/64/42/1189146442.db2.gz HNLOJCVQRQMOER-UHFFFAOYSA-N 0 0 305.761 3.293 20 10 DGCDRN C[C@H](NC(=O)c1c(F)ccc(O)c1O)c1cc2ccccc2o1 ZINC001558965901 1189159660 /nfs/dbraw/zinc/15/96/60/1189159660.db2.gz NZZCUOZCLZDNLP-VIFPVBQESA-N 0 0 315.300 3.474 20 10 DGCDRN CC[C@H](NC(=O)c1c(F)ccc(O)c1O)c1ccccc1OC ZINC001559026633 1189163494 /nfs/dbraw/zinc/16/34/94/1189163494.db2.gz RRJKQFKPWUQMRJ-LBPRGKRZSA-N 0 0 319.332 3.127 20 10 DGCDRN CN(C)c1ccc(CN2CCOc3cc(F)ccc3C2)cc1 ZINC001560041002 1189270864 /nfs/dbraw/zinc/27/08/64/1189270864.db2.gz FKXRELNAOXNHJO-UHFFFAOYSA-N 0 0 300.377 3.286 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CSCCS1 ZINC001560370905 1189318826 /nfs/dbraw/zinc/31/88/26/1189318826.db2.gz BNIVQIOTHHISHZ-JTQLQIEISA-N 0 0 307.843 3.123 20 10 DGCDRN CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1(C)C ZINC001560414937 1189325251 /nfs/dbraw/zinc/32/52/51/1189325251.db2.gz RIHJLHISCXWCMT-GFWSLJDESA-N 0 0 301.789 3.334 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]Cc2ccc3ncccc3c2)c1 ZINC001560462248 1189331673 /nfs/dbraw/zinc/33/16/73/1189331673.db2.gz FZVKFAWEIFOVSK-UHFFFAOYSA-N 0 0 309.325 3.138 20 10 DGCDRN Cc1ccc(OCC[N@@H+](C)Cc2cc(F)c(F)cc2[O-])cc1 ZINC001560721785 1189368128 /nfs/dbraw/zinc/36/81/28/1189368128.db2.gz VQKDLILYKVNGCD-UHFFFAOYSA-N 0 0 307.340 3.490 20 10 DGCDRN COc1cc(C)c(CNc2cccc(CCCO)c2)c(O)c1 ZINC001560747253 1189373510 /nfs/dbraw/zinc/37/35/10/1189373510.db2.gz HVABAGSKSMHOLK-UHFFFAOYSA-N 0 0 301.386 3.246 20 10 DGCDRN CN(Cc1cc(C(C)(C)C)n[nH]1)Cc1cc(F)c(F)cc1O ZINC001560790023 1189381155 /nfs/dbraw/zinc/38/11/55/1189381155.db2.gz QMZKBMJGOLLBKV-UHFFFAOYSA-N 0 0 309.360 3.323 20 10 DGCDRN CN(C)c1ccc(/C=C/CN2C[C@H](O)Cc3ccccc32)cc1 ZINC001560795785 1189383708 /nfs/dbraw/zinc/38/37/08/1189383708.db2.gz FBRACAFOQRPFBN-ZMBJWTFHSA-N 0 0 308.425 3.189 20 10 DGCDRN Oc1cc(F)c(F)cc1CN[C@H]1c2ccccc2OC[C@@H]1F ZINC001561006527 1189419848 /nfs/dbraw/zinc/41/98/48/1189419848.db2.gz UDWATOLFISJLNI-BBRMVZONSA-N 0 0 309.287 3.232 20 10 DGCDRN O=C(NCc1ccc(Cl)cc1)N1Cc2cccc(O)c2C1 ZINC001563432193 1189512823 /nfs/dbraw/zinc/51/28/23/1189512823.db2.gz LSOLMAOFOCDVHK-UHFFFAOYSA-N 0 0 302.761 3.271 20 10 DGCDRN CC[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@H]1CC1(C)C ZINC001563609554 1189522809 /nfs/dbraw/zinc/52/28/09/1189522809.db2.gz DWKHOWJYOMRTPQ-HZPDHXFCSA-N 0 0 303.450 3.377 20 10 DGCDRN O=C(NCCc1ccccc1F)NCc1cccc(Cl)c1O ZINC001563665608 1189526058 /nfs/dbraw/zinc/52/60/58/1189526058.db2.gz HNVWYZPFQNYQGD-UHFFFAOYSA-N 0 0 322.767 3.227 20 10 DGCDRN C[C@@H]1CCC[C@@H]1CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC001563791748 1189534178 /nfs/dbraw/zinc/53/41/78/1189534178.db2.gz GBOAOLMLRVMBTH-RHSMWYFYSA-N 0 0 315.461 3.304 20 10 DGCDRN CC[C@@H]1CCC[C@H]1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC001563792622 1189534327 /nfs/dbraw/zinc/53/43/27/1189534327.db2.gz SXUYHEZEUQNVNA-NVXWUHKLSA-N 0 0 315.461 3.447 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCCC[C@H]2C=CCC2)cc1F ZINC001563811355 1189535938 /nfs/dbraw/zinc/53/59/38/1189535938.db2.gz VVQDMRWFUPEGOM-AWEZNQCLSA-N 0 0 319.424 3.437 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCc2ccc3cccnc3c2)c1 ZINC001565201040 1189629020 /nfs/dbraw/zinc/62/90/20/1189629020.db2.gz WWQGQZCBHIPQAU-UHFFFAOYSA-N 0 0 321.380 3.248 20 10 DGCDRN CC[C@H](O)CCNC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001566287843 1189760514 /nfs/dbraw/zinc/76/05/14/1189760514.db2.gz UFCQKMHFKSMQEZ-INIZCTEOSA-N 0 0 314.429 3.293 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC[C@H](C)F ZINC001569839630 1190762326 /nfs/dbraw/zinc/76/23/26/1190762326.db2.gz NYTRVPAGWBOTCG-LBPRGKRZSA-N 0 0 316.376 3.385 20 10 DGCDRN Cc1[nH]c2c(cccc2C(=O)NCc2ccc(O)cc2O)c1C ZINC001570462269 1190863940 /nfs/dbraw/zinc/86/39/40/1190863940.db2.gz LWHHVXYYINAYFW-UHFFFAOYSA-N 0 0 310.353 3.126 20 10 DGCDRN CCCc1[nH]ccc1C(=O)NCc1ccc2cccnc2c1O ZINC001570533826 1190879269 /nfs/dbraw/zinc/87/92/69/1190879269.db2.gz SEIIWGKTQZKDRP-UHFFFAOYSA-N 0 0 309.369 3.151 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Oc1cccc2c1OCCC2 ZINC001570692546 1190918199 /nfs/dbraw/zinc/91/81/99/1190918199.db2.gz AGLXEVJFWNLJCA-VQHVLOKHSA-N 0 0 312.321 3.042 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CC(Cc2ccc(Cl)cc2)C1 ZINC001621073322 1193799229 /nfs/dbraw/zinc/79/92/29/1193799229.db2.gz MPXXIIVDAVCSGI-UHFFFAOYSA-N 0 0 307.802 3.422 20 10 DGCDRN CC1(C)CCN(CC[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC001621100881 1193802023 /nfs/dbraw/zinc/80/20/23/1193802023.db2.gz XEKMCLOGQKDCFG-UHFFFAOYSA-N 0 0 300.805 3.006 20 10 DGCDRN C[C@H](N1CCN(Cc2ccc(Cl)cc2O)CC1)C(F)(F)F ZINC001621132544 1193807624 /nfs/dbraw/zinc/80/76/24/1193807624.db2.gz YRANUOXIBVVRQQ-JTQLQIEISA-N 0 0 322.758 3.114 20 10 DGCDRN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cccc(O)c1O ZINC001621177344 1193813913 /nfs/dbraw/zinc/81/39/13/1193813913.db2.gz YFPBDGRJTPQCMU-QLJPJBMISA-N 0 0 315.344 3.290 20 10 DGCDRN CN(CC[N@H+](C)Cc1ccc(F)c(F)c1[O-])c1ccccc1 ZINC001621186319 1193815098 /nfs/dbraw/zinc/81/50/98/1193815098.db2.gz ILHHGFPGBVPEKO-UHFFFAOYSA-N 0 0 306.356 3.239 20 10 DGCDRN O=C(c1cc(NCc2cccc(Cl)c2O)c[nH]1)N1CCCC1 ZINC001621235555 1193820779 /nfs/dbraw/zinc/82/07/79/1193820779.db2.gz FWQSYXXPNAMKRJ-UHFFFAOYSA-N 0 0 319.792 3.222 20 10 DGCDRN CCCCCOC1CN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC001621379717 1193835617 /nfs/dbraw/zinc/83/56/17/1193835617.db2.gz DQLSPDIRIBNYMY-UHFFFAOYSA-N 0 0 313.825 3.445 20 10 DGCDRN C[N@H+](Cc1ccccc1)C1CN(Cc2cccc(Cl)c2[O-])C1 ZINC001621380144 1193836046 /nfs/dbraw/zinc/83/60/46/1193836046.db2.gz ZARNLISLFGOQAC-UHFFFAOYSA-N 0 0 316.832 3.362 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@H](C)C(=O)OC(C)(C)C ZINC001621396549 1193837591 /nfs/dbraw/zinc/83/75/91/1193837591.db2.gz MSGZBXLVQLCBBC-HUUCEWRRSA-N 0 0 320.477 3.312 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1ccc(SC2CC2)cc1 ZINC001622664411 1193908569 /nfs/dbraw/zinc/90/85/69/1193908569.db2.gz SPZXWZJURDHABB-UHFFFAOYSA-N 0 0 315.394 3.282 20 10 DGCDRN Cc1nc2ccc(NC(=O)NCc3c(O)cccc3F)cc2o1 ZINC001622756810 1193911293 /nfs/dbraw/zinc/91/12/93/1193911293.db2.gz WTDPIWXOAHROJZ-UHFFFAOYSA-N 0 0 315.304 3.303 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2c(F)cc(C)cc2F)c1 ZINC001622778892 1193912248 /nfs/dbraw/zinc/91/22/48/1193912248.db2.gz AKHDHTUXLRWGKY-JTQLQIEISA-N 0 0 321.323 3.478 20 10 DGCDRN Cc1cc(CNC(=O)[C@H]2C[C@H](C)CO2)c(C)n1-c1ccccc1 ZINC001624075623 1193979395 /nfs/dbraw/zinc/97/93/95/1193979395.db2.gz WHFAUPIOWMVYNK-SCLBCKFNSA-N 0 0 312.413 3.135 20 10 DGCDRN COCC(C)(C)C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001624075445 1193979605 /nfs/dbraw/zinc/97/96/05/1193979605.db2.gz OOCHPBQIOREYDH-UHFFFAOYSA-N 0 0 314.429 3.383 20 10 DGCDRN CCOc1ccc(NC(=O)NCc2ccccc2O)c(F)c1 ZINC001625727529 1194065937 /nfs/dbraw/zinc/06/59/37/1194065937.db2.gz QKLILFPRUKYDCG-UHFFFAOYSA-N 0 0 304.321 3.252 20 10 DGCDRN CC[C@H](C)NC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001625748891 1194066497 /nfs/dbraw/zinc/06/64/97/1194066497.db2.gz QAJHFQJXHLAEKQ-LBPRGKRZSA-N 0 0 309.373 3.316 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)[C@@H]1Cc2ccc(F)cc21 ZINC001627073162 1194110288 /nfs/dbraw/zinc/11/02/88/1194110288.db2.gz KKUAEHZDPDEOGJ-MRXNPFEDSA-N 0 0 322.339 3.036 20 10 DGCDRN Cc1cccc(C(C)(C)CNC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001627133342 1194114031 /nfs/dbraw/zinc/11/40/31/1194114031.db2.gz UZAWDWGRGGGJDT-UHFFFAOYSA-N 0 0 313.397 3.043 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCS[C@H](c2ccccc2)C1 ZINC001628636742 1194189097 /nfs/dbraw/zinc/18/90/97/1194189097.db2.gz YYQCTVRWLJQULP-HNNXBMFYSA-N 0 0 315.394 3.028 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nc1ccncc1 ZINC001628912814 1194203986 /nfs/dbraw/zinc/20/39/86/1194203986.db2.gz SZNHYFPIODIJSC-UHFFFAOYSA-N 0 0 305.381 3.472 20 10 DGCDRN Cc1ccc(CNC(=O)NCc2cc(Cl)ccc2O)s1 ZINC001629004268 1194209150 /nfs/dbraw/zinc/20/91/50/1194209150.db2.gz CBJZDAGPYHDPQQ-UHFFFAOYSA-N 0 0 310.806 3.415 20 10 DGCDRN Cc1ccc2c(c1)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)CCC2 ZINC001629092384 1194213554 /nfs/dbraw/zinc/21/35/54/1194213554.db2.gz LDUIIULHDXHAAG-INIZCTEOSA-N 0 0 311.381 3.143 20 10 DGCDRN Cc1ccc([C@@H](C)N(C)C(=O)Cc2ccc(O)c(O)c2)c(C)c1 ZINC001629737779 1194250330 /nfs/dbraw/zinc/25/03/30/1194250330.db2.gz OIYUUJAOZSWUKS-CQSZACIVSA-N 0 0 313.397 3.477 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ccc(C(F)(F)F)cc1N ZINC001629954801 1194262036 /nfs/dbraw/zinc/26/20/36/1194262036.db2.gz DRORLBBEDKIDJC-UHFFFAOYSA-N 0 0 324.302 3.265 20 10 DGCDRN CN(Cc1cccc2ccccc21)C(=O)Cc1ccc(O)c(O)c1 ZINC001630385737 1194283512 /nfs/dbraw/zinc/28/35/12/1194283512.db2.gz BKJAMAXXQJOHMW-UHFFFAOYSA-N 0 0 321.376 3.452 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)NC1(c2ccc(Cl)cc2)CC1 ZINC001630433739 1194286200 /nfs/dbraw/zinc/28/62/00/1194286200.db2.gz SSHFVTVBZBXQJR-UHFFFAOYSA-N 0 0 317.772 3.099 20 10 DGCDRN CC(C)c1cc(NC(=O)c2cc3cc(O)c(O)cc3s2)n[nH]1 ZINC001630712970 1194299714 /nfs/dbraw/zinc/29/97/14/1194299714.db2.gz HWWPQNRAEIBJKR-UHFFFAOYSA-N 0 0 317.370 3.411 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)c1 ZINC001631628020 1194346231 /nfs/dbraw/zinc/34/62/31/1194346231.db2.gz QQKIJAUPANWCEQ-IJEWVQPXSA-N 0 0 302.418 3.469 20 10 DGCDRN Cc1cc(CNC(=O)c2cc[nH]c(=O)c2)c(C)n1-c1ccccc1 ZINC001631794541 1194355493 /nfs/dbraw/zinc/35/54/93/1194355493.db2.gz UIXNELFIEGKMPW-UHFFFAOYSA-N 0 0 321.380 3.125 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H](C)[C@H]2CC3CCC2CC3)c(O)c1O ZINC001631862725 1194359484 /nfs/dbraw/zinc/35/94/84/1194359484.db2.gz KTGXVHYNRMLPBK-LFUGVXIPSA-N 0 0 303.402 3.351 20 10 DGCDRN O=C(NCc1cccc(Cl)c1F)N1Cc2cccc(O)c2C1 ZINC001632452290 1194390291 /nfs/dbraw/zinc/39/02/91/1194390291.db2.gz QFQPKUMTYDVAQG-UHFFFAOYSA-N 0 0 320.751 3.410 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2cccc3nccnc32)cc1 ZINC001632543538 1194394991 /nfs/dbraw/zinc/39/49/91/1194394991.db2.gz MXTLYTQYJDVZQH-UHFFFAOYSA-N 0 0 320.312 3.045 20 10 DGCDRN CNc1ccc(C(=O)N2Cc3cccc(O)c3C2)c(Cl)c1 ZINC001632709367 1194402919 /nfs/dbraw/zinc/40/29/19/1194402919.db2.gz UWXBEFAKGOPYDT-UHFFFAOYSA-N 0 0 302.761 3.243 20 10 DGCDRN CCSc1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001633226147 1194427192 /nfs/dbraw/zinc/42/71/92/1194427192.db2.gz RLZJULIOLSJTRQ-UHFFFAOYSA-N 0 0 317.410 3.069 20 10 DGCDRN C[C@@H](NC(=O)c1cnc2[nH]ccc2c1)c1ccc(N(C)C)cc1 ZINC001633314999 1194431321 /nfs/dbraw/zinc/43/13/21/1194431321.db2.gz AXZVAXSCKHOANA-GFCCVEGCSA-N 0 0 308.385 3.072 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1ccc(F)c2ccccc12 ZINC001633515929 1194440323 /nfs/dbraw/zinc/44/03/23/1194440323.db2.gz WUTVITGGGIOQHQ-UHFFFAOYSA-N 0 0 311.312 3.320 20 10 DGCDRN C[C@@H](CC(=O)NCc1cccc(O)c1O)c1ccccc1F ZINC001633509752 1194440583 /nfs/dbraw/zinc/44/05/83/1194440583.db2.gz WMMLHQDTGUHDCC-NSHDSACASA-N 0 0 303.333 3.047 20 10 DGCDRN CC(C)c1ccc(CCC(=O)NCc2cc(O)ccc2O)cc1 ZINC001633594982 1194445240 /nfs/dbraw/zinc/44/52/40/1194445240.db2.gz CRYCBHLLXHFXSL-UHFFFAOYSA-N 0 0 313.397 3.470 20 10 DGCDRN CC1(C)CCC[C@H]1CCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001633668021 1194449264 /nfs/dbraw/zinc/44/92/64/1194449264.db2.gz WAFOADHMMLTYOH-OWNNVSBGSA-N 0 0 303.402 3.444 20 10 DGCDRN Cc1ccc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)o1 ZINC001634284810 1194483929 /nfs/dbraw/zinc/48/39/29/1194483929.db2.gz IRZRCBXTEWLDFT-UHFFFAOYSA-N 0 0 309.369 3.321 20 10 DGCDRN CCOC(=O)CCCCCCCNC(=O)C1=CC(=O)CS1 ZINC001634873515 1194520626 /nfs/dbraw/zinc/52/06/26/1194520626.db2.gz WISZSGQNAODDCX-UHFFFAOYSA-N 0 0 313.419 3.087 20 10 DGCDRN CSc1ccccc1[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001634970892 1194525604 /nfs/dbraw/zinc/52/56/04/1194525604.db2.gz SIADDSPDFHXVEV-LLVKDONJSA-N 0 0 317.410 3.240 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)C[C@@H]1CCCC[C@H]1O ZINC001635113043 1194532178 /nfs/dbraw/zinc/53/21/78/1194532178.db2.gz AADWCWBVURDIGT-DOTOQJQBSA-N 0 0 319.445 3.462 20 10 DGCDRN Cc1cc(CNC(=O)c2ccnnc2)c(C)n1-c1cccc(C)c1 ZINC001635327547 1194544857 /nfs/dbraw/zinc/54/48/57/1194544857.db2.gz VBVNAPVUCFJZMV-UHFFFAOYSA-N 0 0 320.396 3.123 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cc2cccc(F)c2o1 ZINC001635360989 1194546645 /nfs/dbraw/zinc/54/66/45/1194546645.db2.gz VSBRCUQGRRYYMA-UHFFFAOYSA-N 0 0 303.264 3.347 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(N(C)C)c(F)c1)c1ccccc1O ZINC001635793907 1194572730 /nfs/dbraw/zinc/57/27/30/1194572730.db2.gz NEAOYGBDHRUAFH-LLVKDONJSA-N 0 0 302.349 3.088 20 10 DGCDRN CC(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2O)c(F)c1 ZINC001635803252 1194573289 /nfs/dbraw/zinc/57/32/89/1194573289.db2.gz BYGAULDZJRBFMA-JTQLQIEISA-N 0 0 301.317 3.225 20 10 DGCDRN O=C(COc1ccccc1)NCc1c(O)ccc2ccccc21 ZINC001635964859 1194582472 /nfs/dbraw/zinc/58/24/72/1194582472.db2.gz BQWGLZDSABCGHW-UHFFFAOYSA-N 0 0 307.349 3.241 20 10 DGCDRN O=C(CCCC(=O)C1CC1)NCc1c(O)ccc2ccccc21 ZINC001635968459 1194582493 /nfs/dbraw/zinc/58/24/93/1194582493.db2.gz AYNUJYWURRTRQH-UHFFFAOYSA-N 0 0 311.381 3.311 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC(C)(C)c2ncon2)cc1 ZINC001636032871 1194588879 /nfs/dbraw/zinc/58/88/79/1194588879.db2.gz QROAFVLLQASXIE-UHFFFAOYSA-N 0 0 324.384 3.142 20 10 DGCDRN COc1cccc(CNC(=O)c2sccc2C(F)F)c1O ZINC001636060969 1194590007 /nfs/dbraw/zinc/59/00/07/1194590007.db2.gz ACLKPTOPOIQUDH-UHFFFAOYSA-N 0 0 313.325 3.330 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@H]1C=CCC1 ZINC001636267982 1194603052 /nfs/dbraw/zinc/60/30/52/1194603052.db2.gz XBQVIHXAPLDFIF-HOTGVXAUSA-N 0 0 315.461 3.257 20 10 DGCDRN CON(C[C@@H]1CCC[C@H](C)C1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001636923188 1194640940 /nfs/dbraw/zinc/64/09/40/1194640940.db2.gz XJYIDZAVVBTVNY-LRGSNQRWSA-N 0 0 319.401 3.327 20 10 DGCDRN C[C@H](CC(=O)NCc1cccc(O)c1O)c1c[nH]c2ccccc21 ZINC001637046556 1194647800 /nfs/dbraw/zinc/64/78/00/1194647800.db2.gz SELIWOWYCHCMPS-GFCCVEGCSA-N 0 0 324.380 3.389 20 10 DGCDRN Cc1ccc(O[C@H](C)C(=O)NCc2cccc(Cl)c2O)cc1 ZINC001637227322 1194658208 /nfs/dbraw/zinc/65/82/08/1194658208.db2.gz WVWOYNSWXWTLLK-GFCCVEGCSA-N 0 0 319.788 3.438 20 10 DGCDRN C[C@@H](Oc1ccccc1)C(=O)NCc1cccc(Cl)c1O ZINC001637226979 1194658300 /nfs/dbraw/zinc/65/83/00/1194658300.db2.gz HWZQZWAEQWAETK-LLVKDONJSA-N 0 0 305.761 3.129 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc2c(n1)CCCC2 ZINC001637447156 1194670449 /nfs/dbraw/zinc/67/04/49/1194670449.db2.gz LIVBAXAPYQMKJR-POHAHGRESA-N 0 0 310.353 3.024 20 10 DGCDRN Cc1cc(CNC(=O)NOC2CCC2)c(C)n1-c1ccccc1 ZINC001637581342 1194677358 /nfs/dbraw/zinc/67/73/58/1194677358.db2.gz KPZHGDVJODMZQB-UHFFFAOYSA-N 0 0 313.401 3.377 20 10 DGCDRN COC1(C)CN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1 ZINC001637792853 1194686436 /nfs/dbraw/zinc/68/64/36/1194686436.db2.gz IKWROJGHWWZWCP-UHFFFAOYSA-N 0 0 312.413 3.263 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H](C)C1CC1 ZINC001637909833 1194693480 /nfs/dbraw/zinc/69/34/80/1194693480.db2.gz WXNRZRRNZHHXFG-ZDUSSCGKSA-N 0 0 310.397 3.435 20 10 DGCDRN COc1cccc(F)c1CNC(=O)N[C@H](C)c1ccccc1O ZINC001638707027 1194732965 /nfs/dbraw/zinc/73/29/65/1194732965.db2.gz AXWWDAHVVGMZEB-LLVKDONJSA-N 0 0 318.348 3.100 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1csc(-c2ccco2)n1 ZINC001638862595 1194741382 /nfs/dbraw/zinc/74/13/82/1194741382.db2.gz CKNHKTCVWUSFBH-UHFFFAOYSA-N 0 0 318.329 3.178 20 10 DGCDRN C/C(=C\c1ccccc1Cl)C(=O)NCc1c(O)cccc1O ZINC001639292623 1194759096 /nfs/dbraw/zinc/75/90/96/1194759096.db2.gz KRFJXRAQMOOKDG-PKNBQFBNSA-N 0 0 317.772 3.471 20 10 DGCDRN Cc1ccc(SCCC(=O)NCc2c(O)cccc2O)cc1 ZINC001639288997 1194759155 /nfs/dbraw/zinc/75/91/55/1194759155.db2.gz FRVVMEMCPFWYCM-UHFFFAOYSA-N 0 0 317.410 3.205 20 10 DGCDRN C[C@H]1C[C@@H](C(=O)NCc2c(O)ccc3ccccc32)CCC1=O ZINC001639384443 1194762250 /nfs/dbraw/zinc/76/22/50/1194762250.db2.gz KMANOLLMULSCHE-JSGCOSHPSA-N 0 0 311.381 3.167 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1occc1-c1ccccc1 ZINC001639441399 1194766330 /nfs/dbraw/zinc/76/63/30/1194766330.db2.gz SWNPVDLJRCMPTQ-UHFFFAOYSA-N 0 0 309.321 3.288 20 10 DGCDRN C[C@H](Sc1ccc(F)cc1)C(=O)NCc1ccc(O)cc1O ZINC001639444727 1194766795 /nfs/dbraw/zinc/76/67/95/1194766795.db2.gz XLNZTKJAKSNKER-JTQLQIEISA-N 0 0 321.373 3.034 20 10 DGCDRN Cn1ccc(C(=O)NCc2ccc(O)cc2O)c1-c1ccccc1 ZINC001639444575 1194766807 /nfs/dbraw/zinc/76/68/07/1194766807.db2.gz QAVRDAQDJHAJRB-UHFFFAOYSA-N 0 0 322.364 3.033 20 10 DGCDRN Oc1cccc(O)c1CNc1cc(Cl)nc(C2CCC2)n1 ZINC001640452461 1194814485 /nfs/dbraw/zinc/81/44/85/1194814485.db2.gz CRIJINWEVISLSO-UHFFFAOYSA-N 0 0 305.765 3.421 20 10 DGCDRN CCOC(=O)CC(=O)[C@@H](C)Sc1ncc(C(C)(C)C)s1 ZINC001640985235 1194835141 /nfs/dbraw/zinc/83/51/41/1194835141.db2.gz CKVMDDFJXFLUOJ-SECBINFHSA-N 0 0 315.460 3.444 20 10 DGCDRN CN(C[C@@H]1CCC[C@@H](C(F)(F)F)O1)c1ccc2c(c1)OCO2 ZINC001642299630 1194899533 /nfs/dbraw/zinc/89/95/33/1194899533.db2.gz ARXSNTWEBRRQRO-FZMZJTMJSA-N 0 0 317.307 3.352 20 10 DGCDRN Cc1ncc([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)s1 ZINC001642440950 1194911445 /nfs/dbraw/zinc/91/14/45/1194911445.db2.gz AMGVJYVIWBENMK-QMMMGPOBSA-N 0 0 317.374 3.105 20 10 DGCDRN C[C@@H](NC(=O)c1scnc1C(F)(F)F)c1ccccc1O ZINC001642827452 1194943962 /nfs/dbraw/zinc/94/39/62/1194943962.db2.gz JHMYFHUPIJOLJD-SSDOTTSWSA-N 0 0 316.304 3.359 20 10 DGCDRN O=[N+]([O-])c1c(NCc2c(O)cccc2O)ccc2cnccc21 ZINC001643226141 1195006647 /nfs/dbraw/zinc/00/66/47/1195006647.db2.gz OTJSWGUBVJUCER-UHFFFAOYSA-N 0 0 311.297 3.166 20 10 DGCDRN C[C@@H](Cc1ccccc1)C(=O)NCc1ccc2cccnc2c1O ZINC001643285353 1195011459 /nfs/dbraw/zinc/01/14/59/1195011459.db2.gz XBJNAPKCOYNTOX-AWEZNQCLSA-N 0 0 320.392 3.435 20 10 DGCDRN CC[C@@H](Sc1ccccc1)C(=O)NCc1cc(O)ccc1O ZINC001643881763 1195060655 /nfs/dbraw/zinc/06/06/55/1195060655.db2.gz DJSGVQGUNPLDKW-MRXNPFEDSA-N 0 0 317.410 3.285 20 10 DGCDRN COC(=O)c1cc(OC[C@H]2CCC(C)(C)CO2)ccc1N(C)C ZINC001644179039 1195087525 /nfs/dbraw/zinc/08/75/25/1195087525.db2.gz MAKNHFQTCNWVBD-CQSZACIVSA-N 0 0 321.417 3.123 20 10 DGCDRN CCN(C(=O)/C=C\c1cncc(O)c1)c1ccc(F)c(C)c1 ZINC001644198574 1195089624 /nfs/dbraw/zinc/08/96/24/1195089624.db2.gz GMLGHYLBLQBICP-DAXSKMNVSA-N 0 0 300.333 3.301 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1cnc(CC2CC2)s1 ZINC001644590865 1195118880 /nfs/dbraw/zinc/11/88/80/1195118880.db2.gz SAXPTDSPUQDNQE-UHFFFAOYSA-N 0 0 322.817 3.385 20 10 DGCDRN Cc1cc(C(=O)NCc2cc(Cl)ccc2O)c(N)cc1F ZINC001644590782 1195119108 /nfs/dbraw/zinc/11/91/08/1195119108.db2.gz OLKNVSSLIVVOBW-UHFFFAOYSA-N 0 0 308.740 3.005 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1cccc2c1CCCCC2 ZINC001644757213 1195132173 /nfs/dbraw/zinc/13/21/73/1195132173.db2.gz YQQSNTSUFAGYDY-UHFFFAOYSA-N 0 0 311.381 3.297 20 10 DGCDRN Cc1oc2ccccc2c1CC(=O)NCc1cc(O)ccc1O ZINC001644754520 1195132220 /nfs/dbraw/zinc/13/22/20/1195132220.db2.gz ZVRNZYXETHRIDA-UHFFFAOYSA-N 0 0 311.337 3.011 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)Cc2c[nH]cn2)cc1 ZINC001645306455 1195173801 /nfs/dbraw/zinc/17/38/01/1195173801.db2.gz SHQXAVRFVMGIQL-UHFFFAOYSA-N 0 0 308.385 3.089 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Cc2coc(-c3ccccc3)n2)c1 ZINC001645800509 1195202265 /nfs/dbraw/zinc/20/22/65/1195202265.db2.gz HIZCUNOVEJXSIF-UHFFFAOYSA-N 0 0 322.364 3.215 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1ccc(Cn2cccc2)cc1 ZINC001646035264 1195211208 /nfs/dbraw/zinc/21/12/08/1195211208.db2.gz UYIFGXUYYSXEJY-UHFFFAOYSA-N 0 0 324.355 3.311 20 10 DGCDRN O=C(CCOCc1ccccc1)NCc1cccc(Cl)c1O ZINC001648605831 1195313159 /nfs/dbraw/zinc/31/31/59/1195313159.db2.gz AGEUIDQWIZQFTC-UHFFFAOYSA-N 0 0 319.788 3.269 20 10 DGCDRN Cc1cc(CNC(=O)c2ccnnc2C)c(C)n1-c1ccccc1 ZINC001648611517 1195314061 /nfs/dbraw/zinc/31/40/61/1195314061.db2.gz FLYXXYLIFFRHEF-UHFFFAOYSA-N 0 0 320.396 3.123 20 10 DGCDRN O=C(NCc1c(O)cccc1F)Nc1ccc2c(c1)CCCO2 ZINC001649396701 1195334447 /nfs/dbraw/zinc/33/44/47/1195334447.db2.gz BOXYHSDUMJWMQV-UHFFFAOYSA-N 0 0 316.332 3.178 20 10 DGCDRN C[C@H]1CCCN1CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC001650630677 1195366888 /nfs/dbraw/zinc/36/68/88/1195366888.db2.gz WOEOKOJFYJRUTK-JTQLQIEISA-N 0 0 303.233 3.273 20 10 DGCDRN C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC001650733878 1195376651 /nfs/dbraw/zinc/37/66/51/1195376651.db2.gz SJYNCUIBURMQBH-OTYXRUKQSA-N 0 0 315.244 3.271 20 10 DGCDRN C[C@@H](CCc1cccc(F)c1)C(=O)NCc1cc(O)ccc1O ZINC001651222924 1195427656 /nfs/dbraw/zinc/42/76/56/1195427656.db2.gz RWBQBKYTTGCSMU-LBPRGKRZSA-N 0 0 317.360 3.122 20 10 DGCDRN CC1(C)C[C@]1(C(=O)NCc1cc(O)ccc1O)c1ccccc1 ZINC001651225502 1195429390 /nfs/dbraw/zinc/42/93/90/1195429390.db2.gz MGENRLAMLDTEAN-LJQANCHMSA-N 0 0 311.381 3.082 20 10 DGCDRN Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cccc(F)c2[O-])n1 ZINC001651773722 1195507449 /nfs/dbraw/zinc/50/74/49/1195507449.db2.gz PEKFMCNGEUMKDX-HNNXBMFYSA-N 0 0 315.392 3.311 20 10 DGCDRN CC(C)c1ccc(O)c(CN2CCc3ccccc3[C@@H]2C(N)=O)c1 ZINC001651919541 1195523161 /nfs/dbraw/zinc/52/31/61/1195523161.db2.gz QFDGQCNFVRJKPD-LJQANCHMSA-N 0 0 324.424 3.100 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2CCc1ccc(F)cc1 ZINC001652127883 1195550919 /nfs/dbraw/zinc/55/09/19/1195550919.db2.gz QEARIGFNAXRJGD-UHFFFAOYSA-N 0 0 300.377 3.333 20 10 DGCDRN COC(=O)[C@H](NCc1ccc(Cl)cc1O)c1cccs1 ZINC001652247697 1195568624 /nfs/dbraw/zinc/56/86/24/1195568624.db2.gz IOLXECWKFZJEAH-CYBMUJFWSA-N 0 0 311.790 3.111 20 10 DGCDRN COc1ccc2c(c1)CCCCN2Cc1c2c(nn1C)CCC2 ZINC001652582861 1195621291 /nfs/dbraw/zinc/62/12/91/1195621291.db2.gz MXOMCMWKCHQWDD-UHFFFAOYSA-N 0 0 311.429 3.260 20 10 DGCDRN Cc1ccc(C)c(SCC(=O)NCc2c(O)cccc2O)c1 ZINC001652623704 1195627933 /nfs/dbraw/zinc/62/79/33/1195627933.db2.gz ZUGQWHRQSQUKFB-UHFFFAOYSA-N 0 0 317.410 3.123 20 10 DGCDRN OC[C@H]1Cc2ccccc2N1Cc1c(O)ccc(Cl)c1F ZINC001652737261 1195642654 /nfs/dbraw/zinc/64/26/54/1195642654.db2.gz RHAGLFRURLWYTC-LLVKDONJSA-N 0 0 307.752 3.108 20 10 DGCDRN OC[C@@H]1Cc2ccccc2N1Cc1cc(Cl)c(F)cc1O ZINC001652737201 1195642820 /nfs/dbraw/zinc/64/28/20/1195642820.db2.gz QBYWYDOVGATLCK-LBPRGKRZSA-N 0 0 307.752 3.108 20 10 DGCDRN COc1c(O)c(CNc2ncccc2SC)ccc1[N+](=O)[O-] ZINC001652767527 1195649367 /nfs/dbraw/zinc/64/93/67/1195649367.db2.gz MBHYLLDSRWLHBH-UHFFFAOYSA-N 0 0 321.358 3.038 20 10 DGCDRN O=C(CSc1ncc(Cl)s1)NCc1cccs1 ZINC001652984672 1195677157 /nfs/dbraw/zinc/67/71/57/1195677157.db2.gz GZPRJEVXPOZLDT-UHFFFAOYSA-N 0 0 304.849 3.267 20 10 DGCDRN CCc1ccc(O)c(C(=O)NCc2cccc(Cl)c2O)c1 ZINC001653567112 1195735432 /nfs/dbraw/zinc/73/54/32/1195735432.db2.gz LAFQHSGYJPNYOE-UHFFFAOYSA-N 0 0 305.761 3.244 20 10 DGCDRN CC(C)(C)c1ccc(CNC(=O)c2c(F)ccc(O)c2O)o1 ZINC001654776735 1195839516 /nfs/dbraw/zinc/83/95/16/1195839516.db2.gz RCFZZPCMWVGSNC-UHFFFAOYSA-N 0 0 307.321 3.057 20 10 DGCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2CCOC(=O)N(C)C ZINC001654793615 1195841412 /nfs/dbraw/zinc/84/14/12/1195841412.db2.gz RTGVQFTUVNHYOG-HNNXBMFYSA-N 0 0 320.433 3.028 20 10 DGCDRN CCc1c[nH]c2ncnc(NCc3ccc(N(C)C)c(F)c3)c12 ZINC001655049445 1195869994 /nfs/dbraw/zinc/86/99/94/1195869994.db2.gz OXIVXAUIPXXHOB-UHFFFAOYSA-N 0 0 313.380 3.289 20 10 DGCDRN CCOc1ccc(N(Cc2noc(CC)n2)CC2CC2)cc1 ZINC001655332771 1195904819 /nfs/dbraw/zinc/90/48/19/1195904819.db2.gz BDDDSRVSGQNVII-UHFFFAOYSA-N 0 0 301.390 3.447 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H](O)c1ccccc1F ZINC001655399606 1195912055 /nfs/dbraw/zinc/91/20/55/1195912055.db2.gz LLIHEHPFUFHEIT-CQSZACIVSA-N 0 0 313.731 3.147 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)Nc1ncnc2c1CCC2 ZINC001655579667 1195935251 /nfs/dbraw/zinc/93/52/51/1195935251.db2.gz VWIOQLDLFGOOKK-AWEZNQCLSA-N 0 0 310.445 3.383 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+]Cc2cccnc2)c1 ZINC001655965688 1195983373 /nfs/dbraw/zinc/98/33/73/1195983373.db2.gz DMPRTDNIPYYWLR-UHFFFAOYSA-N 0 0 307.191 3.148 20 10 DGCDRN COc1cc(F)c(NCc2cc(F)cc(F)c2O)cc1OC ZINC001656040955 1195991373 /nfs/dbraw/zinc/99/13/73/1195991373.db2.gz OEURWYWOPACBHC-UHFFFAOYSA-N 0 0 313.275 3.439 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCOc1ccc(F)c(F)c1 ZINC001656423475 1196038152 /nfs/dbraw/zinc/03/81/52/1196038152.db2.gz OBMCIWQWFHOWMN-UHFFFAOYSA-N 0 0 315.266 3.117 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCN1CCc2ccccc21 ZINC001656984238 1196089030 /nfs/dbraw/zinc/08/90/30/1196089030.db2.gz DKMQFAJWMKOTPQ-UHFFFAOYSA-N 0 0 320.795 3.337 20 10 DGCDRN COc1c(NCc2c(C)c3ccccc3n2C)cccc1C(N)=O ZINC001657011953 1196093175 /nfs/dbraw/zinc/09/31/75/1196093175.db2.gz ODZBSAQECRGTFZ-UHFFFAOYSA-N 0 0 323.396 3.206 20 10 DGCDRN COc1ccc(NCc2cc(F)c(N(C)C)cc2F)c(C)n1 ZINC001657618597 1196160281 /nfs/dbraw/zinc/16/02/81/1196160281.db2.gz UOHSUPAGSLVEAM-UHFFFAOYSA-N 0 0 307.344 3.355 20 10 DGCDRN COC(=O)[C@@H]1C[C@H](C)CCN1Cc1cc(Cl)c(C)cc1O ZINC001657860226 1196187098 /nfs/dbraw/zinc/18/70/98/1196187098.db2.gz NIQLDBJPQURTRI-YGRLFVJLSA-N 0 0 311.809 3.128 20 10 DGCDRN O=C1CCN1c1cccc(NCc2ccc(Cl)cc2O)c1 ZINC001657953857 1196196516 /nfs/dbraw/zinc/19/65/16/1196196516.db2.gz GVVYMOBMSKHAJV-UHFFFAOYSA-N 0 0 302.761 3.394 20 10 DGCDRN Cc1cc(NCc2c(O)ccc(Cl)c2F)cc(C(N)=O)c1 ZINC001657998603 1196200406 /nfs/dbraw/zinc/20/04/06/1196200406.db2.gz LAOWECQCMKQBPV-UHFFFAOYSA-N 0 0 308.740 3.204 20 10 DGCDRN [O-]c1cc(Cl)ccc1C[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC001658410236 1196252980 /nfs/dbraw/zinc/25/29/80/1196252980.db2.gz FUDIAYXBKAYJQI-NVXWUHKLSA-N 0 0 318.804 3.451 20 10 DGCDRN CN(Cc1c[nH]cn1)Cc1ccc(OCc2ccccc2)cc1O ZINC001658533406 1196270560 /nfs/dbraw/zinc/27/05/60/1196270560.db2.gz LMMDOOMGQJBHGR-UHFFFAOYSA-N 0 0 323.396 3.326 20 10 DGCDRN CN(c1ccccc1)[C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001658641767 1196283784 /nfs/dbraw/zinc/28/37/84/1196283784.db2.gz HQWOHJZGXZGMSI-OAHLLOKOSA-N 0 0 318.367 3.381 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@H](O)C[C@H]1c1ccccc1 ZINC001658675770 1196287701 /nfs/dbraw/zinc/28/77/01/1196287701.db2.gz OMRUVLHAGQEBEG-YOEHRIQHSA-N 0 0 319.351 3.368 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cn2cccc(F)c2n1 ZINC001658741183 1196294690 /nfs/dbraw/zinc/29/46/90/1196294690.db2.gz GOTIYRFXKDEWKL-UHFFFAOYSA-N 0 0 305.740 3.122 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cc(-c2ccccn2)n[nH]1 ZINC001658741510 1196295098 /nfs/dbraw/zinc/29/50/98/1196295098.db2.gz LXEJRCMOVYAYER-UHFFFAOYSA-N 0 0 314.776 3.121 20 10 DGCDRN CN(Cc1cccnc1Br)c1ccc2c(c1)OCO2 ZINC001658803653 1196303259 /nfs/dbraw/zinc/30/32/59/1196303259.db2.gz WGWUGTGFTMNXPG-UHFFFAOYSA-N 0 0 321.174 3.209 20 10 DGCDRN C[C@@]1(c2cccc(NCc3cccc(F)c3O)c2)COC(=O)N1 ZINC001658807288 1196303901 /nfs/dbraw/zinc/30/39/01/1196303901.db2.gz ZMHQIHIZZBZDPQ-KRWDZBQOSA-N 0 0 316.332 3.098 20 10 DGCDRN [O-]c1c(F)c(F)ccc1C[NH2+]CCc1cccc2[nH]ccc21 ZINC001658993000 1196329502 /nfs/dbraw/zinc/32/95/02/1196329502.db2.gz WVBSKIHDQBMFIW-UHFFFAOYSA-N 0 0 302.324 3.484 20 10 DGCDRN COc1ccc(OCC[N@H+](C)Cc2ccc(F)c(F)c2[O-])cc1 ZINC001659276603 1196367247 /nfs/dbraw/zinc/36/72/47/1196367247.db2.gz CUFJOECOUFYCFN-UHFFFAOYSA-N 0 0 323.339 3.190 20 10 DGCDRN Cc1cc(O)c(CN2CCNC(=O)c3ccccc32)cc1Cl ZINC001659354868 1196374823 /nfs/dbraw/zinc/37/48/23/1196374823.db2.gz DPYGRJRHBBESHQ-UHFFFAOYSA-N 0 0 316.788 3.104 20 10 DGCDRN CCc1cccc(CNc2cccc(-c3ncn(C)n3)c2)c1O ZINC001659383484 1196377464 /nfs/dbraw/zinc/37/74/64/1196377464.db2.gz WDMPRXXVQAMVGY-UHFFFAOYSA-N 0 0 308.385 3.362 20 10 DGCDRN COc1ccc(N(C)Cc2c(OC)cccc2OC)cc1OC ZINC001659542804 1196394035 /nfs/dbraw/zinc/39/40/35/1196394035.db2.gz QXRMBIYYYHMYFJ-UHFFFAOYSA-N 0 0 317.385 3.357 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(F)c(F)cc1[O-])[C@@](C)(O)c1ccccc1 ZINC001659577631 1196397339 /nfs/dbraw/zinc/39/73/39/1196397339.db2.gz HFPHYUFGKFUVCI-APPDUMDISA-N 0 0 307.340 3.056 20 10 DGCDRN COCCCn1cc(C)c(NCc2ccc(Cl)cc2O)n1 ZINC001659615104 1196400196 /nfs/dbraw/zinc/40/01/96/1196400196.db2.gz GYYJLRUCVWJAAC-UHFFFAOYSA-N 0 0 309.797 3.199 20 10 DGCDRN COc1cc(C)c(CNc2cccc(N3CCC3=O)c2)c(O)c1 ZINC001659643574 1196401786 /nfs/dbraw/zinc/40/17/86/1196401786.db2.gz DWXRVGXVYJBDHD-UHFFFAOYSA-N 0 0 312.369 3.058 20 10 DGCDRN C[C@@H]([NH2+]Cc1cccc(F)c1[O-])c1ccc2[nH]c(=O)oc2c1 ZINC001659767643 1196413201 /nfs/dbraw/zinc/41/32/01/1196413201.db2.gz YVXHALVDRSUFEH-SECBINFHSA-N 0 0 302.305 3.229 20 10 DGCDRN C[C@H]1CN(Cc2cccc(F)c2O)c2ccccc2NC1=O ZINC001659776750 1196414317 /nfs/dbraw/zinc/41/43/17/1196414317.db2.gz CPJHBBSHSSJRSN-NSHDSACASA-N 0 0 300.333 3.126 20 10 DGCDRN COc1ccc(F)cc1NC(=O)NCc1c(O)cccc1F ZINC001659986534 1196434841 /nfs/dbraw/zinc/43/48/41/1196434841.db2.gz QXWGPLKUOWGVSS-UHFFFAOYSA-N 0 0 308.284 3.001 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]CCCOc1cccc(F)c1 ZINC001660172987 1196454641 /nfs/dbraw/zinc/45/46/41/1196454641.db2.gz ZIVXOMCLGJZCSK-UHFFFAOYSA-N 0 0 311.303 3.368 20 10 DGCDRN CN(C)c1ccc(CNCc2ccn(-c3ccccc3)n2)cc1F ZINC001661170613 1196575663 /nfs/dbraw/zinc/57/56/63/1196575663.db2.gz LEYOMNLBJPJRFG-UHFFFAOYSA-N 0 0 324.403 3.367 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCc1ccc2c(c1)CCO2 ZINC001662209153 1196695444 /nfs/dbraw/zinc/69/54/44/1196695444.db2.gz ZNWHYHRINVJIPM-UHFFFAOYSA-N 0 0 321.779 3.452 20 10 DGCDRN COc1ccc(CN[C@H](c2nccn2C)C(F)(F)F)cc1C ZINC001663504123 1196888954 /nfs/dbraw/zinc/88/89/54/1196888954.db2.gz GHUZHBCTFBIINR-CYBMUJFWSA-N 0 0 313.323 3.130 20 10 DGCDRN COc1ccc(CNC(=O)OCc2cccc(Cl)c2)c(O)c1 ZINC001663588744 1196909893 /nfs/dbraw/zinc/90/98/93/1196909893.db2.gz WUCXXOIBRUXJTE-UHFFFAOYSA-N 0 0 321.760 3.481 20 10 DGCDRN COC(=O)c1c(C[N@@H+]2C[C@H](C)C[C@@H]2C)c2cc(F)ccc2n1C ZINC001663591959 1196909997 /nfs/dbraw/zinc/90/99/97/1196909997.db2.gz YCJNATRBAMNENZ-NEPJUHHUSA-N 0 0 318.392 3.334 20 10 DGCDRN O=C(NCC[C@@H]1C[C@H]1C1CC1)NCc1cc(Cl)ccc1O ZINC001687599828 1196910240 /nfs/dbraw/zinc/91/02/40/1196910240.db2.gz KVKZYEYJSMKVNP-RISCZKNCSA-N 0 0 308.809 3.281 20 10 DGCDRN CCN(Cc1nn(C)cc1Cl)Cc1ccc(N(C)C)cc1 ZINC001664114245 1196972671 /nfs/dbraw/zinc/97/26/71/1196972671.db2.gz GFVQMTBMWDBCJC-UHFFFAOYSA-N 0 0 306.841 3.162 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OS(=O)(=O)c3ccoc3)cc12 ZINC001664507344 1197008681 /nfs/dbraw/zinc/00/86/81/1197008681.db2.gz SZPYPFRZDBCBFO-UHFFFAOYSA-N 0 0 305.355 3.156 20 10 DGCDRN O=[N+]([O-])c1cc(Cl)ccc1CN1Cc2cccc(O)c2C1 ZINC001665506033 1197145648 /nfs/dbraw/zinc/14/56/48/1197145648.db2.gz GAYIBBWYYCMLGI-UHFFFAOYSA-N 0 0 304.733 3.470 20 10 DGCDRN COc1ccc(NC(=O)NCc2cc(C)ccc2O)c(OC)c1 ZINC001665587844 1197155620 /nfs/dbraw/zinc/15/56/20/1197155620.db2.gz SFGPDAIBNSMMTH-UHFFFAOYSA-N 0 0 316.357 3.040 20 10 DGCDRN Oc1c(Cl)cccc1CNc1ccccc1-n1nccn1 ZINC001665683281 1197170749 /nfs/dbraw/zinc/17/07/49/1197170749.db2.gz RWUGOHJTPVSARD-UHFFFAOYSA-N 0 0 300.749 3.238 20 10 DGCDRN CCn1ncc2ccc(NC(=O)N3Cc4cccc(O)c4C3)cc21 ZINC001666576732 1197270487 /nfs/dbraw/zinc/27/04/87/1197270487.db2.gz GCWVJBNXSGMVMB-UHFFFAOYSA-N 0 0 322.368 3.310 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC001667072216 1197314503 /nfs/dbraw/zinc/31/45/03/1197314503.db2.gz BZOKIEQNCPPYMU-UHFFFAOYSA-N 0 0 315.329 3.239 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)Nc1cccc2c1OCO2 ZINC001668765059 1197428806 /nfs/dbraw/zinc/42/88/06/1197428806.db2.gz LFHWUIYXEBNNPV-UHFFFAOYSA-N 0 0 320.732 3.096 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CC=CCC1 ZINC001669294280 1197447660 /nfs/dbraw/zinc/44/76/60/1197447660.db2.gz MPNOSDOSRJJXBU-RDJZCZTQSA-N 0 0 315.461 3.400 20 10 DGCDRN Cc1nc(Cl)ccc1NC(=O)N1Cc2cccc(O)c2C1 ZINC001669496455 1197458607 /nfs/dbraw/zinc/45/86/07/1197458607.db2.gz PGHAEPCQOHQXME-UHFFFAOYSA-N 0 0 303.749 3.297 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)Nc1cccc2c1CCO2 ZINC001671488835 1197542877 /nfs/dbraw/zinc/54/28/77/1197542877.db2.gz POMFCHXFPPELBA-UHFFFAOYSA-N 0 0 318.760 3.302 20 10 DGCDRN CCOc1ccc(NC(=O)NCc2c(O)cccc2F)c(F)c1 ZINC001672926178 1197629302 /nfs/dbraw/zinc/62/93/02/1197629302.db2.gz NPQPXDASTRWONV-UHFFFAOYSA-N 0 0 322.311 3.391 20 10 DGCDRN C[C@@H]1CC(C)(C)CN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC001676134941 1198233169 /nfs/dbraw/zinc/23/31/69/1198233169.db2.gz GZGJOAQFQZYJEO-CQSZACIVSA-N 0 0 315.461 3.399 20 10 DGCDRN Cc1ccc(CNC(=O)N2Cc3cccc(O)c3C2)cc1F ZINC001676298124 1198278509 /nfs/dbraw/zinc/27/85/09/1198278509.db2.gz BFHHFLHJWHARQQ-UHFFFAOYSA-N 0 0 300.333 3.065 20 10 DGCDRN CC(C)Oc1cc(NC(=O)N[C@H](C)c2ccccc2O)ccn1 ZINC001676715730 1198370896 /nfs/dbraw/zinc/37/08/96/1198370896.db2.gz QFBPHPYWXOTBAI-GFCCVEGCSA-N 0 0 315.373 3.457 20 10 DGCDRN Cc1nc2c(cccc2NC(=O)NCc2c(O)cccc2F)o1 ZINC001677569936 1198553107 /nfs/dbraw/zinc/55/31/07/1198553107.db2.gz LWJMTOWVAXZQJA-UHFFFAOYSA-N 0 0 315.304 3.303 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N3CC[C@H]3C(C)(C)C)ccc21 ZINC001677847592 1198594274 /nfs/dbraw/zinc/59/42/74/1198594274.db2.gz MJLPVWGMWFPRFK-KRWDZBQOSA-N 0 0 315.461 3.399 20 10 DGCDRN CCc1ccc(CCNC(=O)NCc2c(O)cccc2F)cc1 ZINC001677849535 1198595303 /nfs/dbraw/zinc/59/53/03/1198595303.db2.gz ZPHVHUVQJDBMRV-UHFFFAOYSA-N 0 0 316.376 3.136 20 10 DGCDRN C[C@H](NC(=O)Nc1cccc2[nH]c(=O)oc21)c1ccccc1O ZINC001678195491 1198646859 /nfs/dbraw/zinc/64/68/59/1198646859.db2.gz TXRAKPWMBGKMPL-VIFPVBQESA-N 0 0 313.313 3.122 20 10 DGCDRN C=C/C=C/CCNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001682100961 1199129132 /nfs/dbraw/zinc/12/91/32/1199129132.db2.gz IAXILGSKKCJYLE-KXPUMZMLSA-N 0 0 315.461 3.424 20 10 DGCDRN O=C(NCc1c(O)cccc1F)N[C@@H]1CCc2ccccc21 ZINC001682528912 1199169184 /nfs/dbraw/zinc/16/91/84/1199169184.db2.gz DXOMYDMMKJIKIW-OAHLLOKOSA-N 0 0 300.333 3.018 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H](C)C1(C)CC1 ZINC001683426281 1199268980 /nfs/dbraw/zinc/26/89/80/1199268980.db2.gz WPQPUFNFBOAPQB-CABCVRRESA-N 0 0 317.477 3.480 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001684056466 1199334848 /nfs/dbraw/zinc/33/48/48/1199334848.db2.gz XLXGEKQRLFSUEG-MDZLAQPJSA-N 0 0 308.809 3.281 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC001684670514 1199405023 /nfs/dbraw/zinc/40/50/23/1199405023.db2.gz WFYAHUDBVWREGF-YSVLISHTSA-N 0 0 314.429 3.259 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCC1(C)CC1 ZINC001685208386 1199454772 /nfs/dbraw/zinc/45/47/72/1199454772.db2.gz XUGMKOHDHGUNJW-UHFFFAOYSA-N 0 0 301.434 3.228 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCc1cscc1Cl ZINC001685312158 1199465358 /nfs/dbraw/zinc/46/53/58/1199465358.db2.gz OPQKMSYTVZTJLY-UHFFFAOYSA-N 0 0 310.806 3.449 20 10 DGCDRN C[C@@H](NC(=O)N1C[C@H]2CCCC[C@H]21)c1ccc(N(C)C)cc1 ZINC001686173761 1199538229 /nfs/dbraw/zinc/53/82/29/1199538229.db2.gz OSEGTJRWWUDYQZ-FRFSOERESA-N 0 0 301.434 3.398 20 10 DGCDRN C[C@H](NC(=O)N1C[C@H]2CCCC[C@H]21)c1ccc(N(C)C)cc1 ZINC001686173762 1199538461 /nfs/dbraw/zinc/53/84/61/1199538461.db2.gz OSEGTJRWWUDYQZ-YSVLISHTSA-N 0 0 301.434 3.398 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC1CC(C)(C)C1 ZINC001686826834 1199592946 /nfs/dbraw/zinc/59/29/46/1199592946.db2.gz QIMLUPRQTMCZGR-CQSZACIVSA-N 0 0 317.477 3.480 20 10 DGCDRN Nc1ccc(Cc2nc(-c3ccc4ncccc4c3)no2)cc1 ZINC000321355480 1199852539 /nfs/dbraw/zinc/85/25/39/1199852539.db2.gz KCFJNIXEURHQBH-UHFFFAOYSA-N 0 0 302.337 3.458 20 10 DGCDRN CCn1c(C(=O)NCc2ccc(O)c(O)c2)cc2ccccc21 ZINC000159021066 1202604216 /nfs/dbraw/zinc/60/42/16/1202604216.db2.gz VOQNAEWWDHFERA-UHFFFAOYSA-N 0 0 310.353 3.002 20 10 DGCDRN Nc1ccc(CC(=O)NCc2nc(-c3ccccc3)cs2)cc1 ZINC000237909319 1202793477 /nfs/dbraw/zinc/79/34/77/1202793477.db2.gz WRWKHCJXIGFRDQ-UHFFFAOYSA-N 0 0 323.421 3.251 20 10 DGCDRN CCN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC001589715616 950378576 /nfs/dbraw/zinc/37/85/76/950378576.db2.gz XAAWOHDTJRYFDU-QGZVFWFLSA-N 0 0 304.434 3.362 20 10 DGCDRN C[C@@H]1C[C@@H]([NH2+]C2CCC(C(=O)[O-])CC2)c2c1c(F)ccc2O ZINC001589291462 953604016 /nfs/dbraw/zinc/60/40/16/953604016.db2.gz IVFRCODADDSPPC-ZUYNKMSQSA-N 0 0 307.365 3.313 20 10 DGCDRN CCc1cccc(C[NH2+][C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c1O ZINC001593642725 953662524 /nfs/dbraw/zinc/66/25/24/953662524.db2.gz UXTBVUBIKVVAPQ-DLBZAZTESA-N 0 0 311.381 3.357 20 10 DGCDRN C[C@@H]([NH2+]CCCCC(=O)[O-])c1cc(Br)ccc1O ZINC001603248545 972413780 /nfs/dbraw/zinc/41/37/80/972413780.db2.gz GVJDHNQCYYMVNX-SECBINFHSA-N 0 0 316.195 3.060 20 10 DGCDRN CC[C@](C)([NH2+]Cc1ccc(N2CCCCC2)c(C)c1)C(=O)[O-] ZINC001594852421 982094944 /nfs/dbraw/zinc/09/49/44/982094944.db2.gz KZLPMBPXEVHKDV-SFHVURJKSA-N 0 0 304.434 3.328 20 10 DGCDRN CCC[N@H+](Cc1cc(C(=O)[O-])c(C)[nH]1)Cc1ccccc1O ZINC001595886126 982914303 /nfs/dbraw/zinc/91/43/03/982914303.db2.gz YVXZCGAYXFNKBW-UHFFFAOYSA-N 0 0 302.374 3.139 20 10 DGCDRN C[C@H]([NH2+]Cc1c2ccccc2[nH]c1C(=O)[O-])c1ccccc1O ZINC001599901225 984832464 /nfs/dbraw/zinc/83/24/64/984832464.db2.gz AOYZKYSBQGMNIQ-NSHDSACASA-N 0 0 310.353 3.423 20 10 DGCDRN C[C@H]([NH2+]Cc1[nH]cc(C(=O)[O-])c1C1CC1)c1ccccc1O ZINC001599901856 984848148 /nfs/dbraw/zinc/84/81/48/984848148.db2.gz ZGSLNDIBJXDBCN-JTQLQIEISA-N 0 0 300.358 3.147 20 10 DGCDRN CCc1cccc(C[NH2+][C@@H](C(=O)[O-])c2ccc(F)c(C)c2)c1O ZINC001597586796 988406174 /nfs/dbraw/zinc/40/61/74/988406174.db2.gz KKJNXGLHXFLYQK-MRXNPFEDSA-N 0 0 317.360 3.318 20 10 DGCDRN CC(C)[N@H+](CCC(C)(C)C(=O)[O-])Cc1ccc(N(C)C)cc1 ZINC001591589728 992800939 /nfs/dbraw/zinc/80/09/39/992800939.db2.gz ZMABBXNNDILVCL-UHFFFAOYSA-N 0 0 306.450 3.464 20 10 DGCDRN CC(C)n1cc([C@H](C)[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)cn1 ZINC001593197403 994162617 /nfs/dbraw/zinc/16/26/17/994162617.db2.gz JVPVOMOMWSTOBB-NWDGAFQWSA-N 0 0 317.389 3.280 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cc(C(=O)[O-])co1 ZINC001593297888 994708552 /nfs/dbraw/zinc/70/85/52/994708552.db2.gz BPMNDRCSUKLKGM-CYBMUJFWSA-N 0 0 314.385 3.429 20 10 DGCDRN COCc1ccc(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)cc1 ZINC001599293028 997093043 /nfs/dbraw/zinc/09/30/43/997093043.db2.gz AQJSIBILBQCEQD-GFCCVEGCSA-N 0 0 315.369 3.088 20 10 DGCDRN CN(Cc1ccc(O)cc1O)Cc1ccccc1Br ZINC001204273088 1090937812 /nfs/dbraw/zinc/93/78/12/1090937812.db2.gz XLHCZCLWHKUOEJ-UHFFFAOYSA-N 0 0 322.202 3.492 20 10 DGCDRN Oc1ccc(CNc2ncc(OCc3ccccc3)cn2)cc1O ZINC001169992664 1081796288 /nfs/dbraw/zinc/79/62/88/1081796288.db2.gz ALZSHNWCBYFGJH-UHFFFAOYSA-N 0 0 323.352 3.079 20 10 DGCDRN CCc1nn(C)cc1NCc1ccc(Br)cc1O ZINC000691461008 1081796628 /nfs/dbraw/zinc/79/66/28/1081796628.db2.gz DPQZKJZRSWNQSB-UHFFFAOYSA-N 0 0 310.195 3.063 20 10 DGCDRN CCOc1cc([N+](=O)[O-])ccc1NCc1ccc(O)c(O)c1 ZINC001169994552 1081815879 /nfs/dbraw/zinc/81/58/79/1081815879.db2.gz FIJHBFVFWQCMRK-UHFFFAOYSA-N 0 0 304.302 3.017 20 10 DGCDRN Oc1ccc(CNc2cc3c4c(c2)CCCN4CCC3)cc1O ZINC001169994858 1081816613 /nfs/dbraw/zinc/81/66/13/1081816613.db2.gz LDTDKRQECBZALT-UHFFFAOYSA-N 0 0 310.397 3.409 20 10 DGCDRN COC(=O)c1ccc2ncc(NCc3ccc(O)c(O)c3)cc2c1 ZINC001169997264 1081824100 /nfs/dbraw/zinc/82/41/00/1081824100.db2.gz XXADRJYTDURSLN-UHFFFAOYSA-N 0 0 324.336 3.045 20 10 DGCDRN Oc1cccc(Br)c1CN1CC(F)(C2CC2)C1 ZINC001140099183 1081838529 /nfs/dbraw/zinc/83/85/29/1081838529.db2.gz ZICHBJOTKBEWKD-UHFFFAOYSA-N 0 0 300.171 3.089 20 10 DGCDRN Cc1cn(CC(=O)NCc2cc(C)ccc2O)c2ccccc12 ZINC001167293931 1081913137 /nfs/dbraw/zinc/91/31/37/1081913137.db2.gz VCPLUKBEWHGRMZ-UHFFFAOYSA-N 0 0 308.381 3.280 20 10 DGCDRN O=C(Nc1ccc(O[C@@H]2CC2(F)F)cc1)c1cccc(O)c1O ZINC001167415850 1082079613 /nfs/dbraw/zinc/07/96/13/1082079613.db2.gz CCRCZUNCFCPHDO-CYBMUJFWSA-N 0 0 321.279 3.137 20 10 DGCDRN CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@@H]1CCc2ccccc21 ZINC000588403641 1082147630 /nfs/dbraw/zinc/14/76/30/1082147630.db2.gz SWQHMXLBPLIHMO-MRDWYFFCSA-N 0 0 309.365 3.257 20 10 DGCDRN CSc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000588403789 1082147681 /nfs/dbraw/zinc/14/76/81/1082147681.db2.gz PIRYVMRWBVOCMU-OQFOIZHKSA-N 0 0 301.367 3.472 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCCc2ccccc2C1 ZINC000588406443 1082152292 /nfs/dbraw/zinc/15/22/92/1082152292.db2.gz YBGACJDBCBZJKB-NTMALXAHSA-N 0 0 309.365 3.086 20 10 DGCDRN C[C@H](c1cccc(O)c1)N(C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588407483 1082160697 /nfs/dbraw/zinc/16/06/97/1082160697.db2.gz WLSBKIGIRAUXJH-ZVTBTPLYSA-N 0 0 313.353 3.036 20 10 DGCDRN Oc1cc(Cl)ccc1CN1CCO[C@@H](c2ccncc2)C1 ZINC001140466118 1082278940 /nfs/dbraw/zinc/27/89/40/1082278940.db2.gz XRHRNCMELMRQSX-MRXNPFEDSA-N 0 0 304.777 3.014 20 10 DGCDRN O=C(CNc1ccc2sccc2n1)c1ccc(O)c(O)c1 ZINC001170316797 1082344817 /nfs/dbraw/zinc/34/48/17/1082344817.db2.gz OTFDSKRLCSBHQD-UHFFFAOYSA-N 0 0 300.339 3.002 20 10 DGCDRN Cc1ccc2cc(NCC(=O)c3ccc(O)c(O)c3)ncc2c1 ZINC001170317072 1082344934 /nfs/dbraw/zinc/34/49/34/1082344934.db2.gz XPTRWMAUBFOJCJ-UHFFFAOYSA-N 0 0 308.337 3.249 20 10 DGCDRN Cc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)c(C)c(C)c1O ZINC000588510767 1082518116 /nfs/dbraw/zinc/51/81/16/1082518116.db2.gz VWNDSVYMSRZMPE-ALCCZGGFSA-N 0 0 313.353 3.381 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)/C=C\c2scnc2C)c1 ZINC000588522291 1082545241 /nfs/dbraw/zinc/54/52/41/1082545241.db2.gz JAZALMAKLDZMRS-GFVADAIESA-N 0 0 318.398 3.056 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C=C\c1cncc(F)c1)CCC2 ZINC001131431732 1082671956 /nfs/dbraw/zinc/67/19/56/1082671956.db2.gz GAQJLQBAEFKHLS-DAXSKMNVSA-N 0 0 312.344 3.222 20 10 DGCDRN Cc1cc(NC(=O)C2=CC(=O)CS2)n(-c2ccc(F)cc2)n1 ZINC001143450634 1082748691 /nfs/dbraw/zinc/74/86/91/1082748691.db2.gz RWZOOHYHQXXABZ-UHFFFAOYSA-N 0 0 317.345 3.339 20 10 DGCDRN CCCN(C(=O)/C=C\c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000588617666 1082864344 /nfs/dbraw/zinc/86/43/44/1082864344.db2.gz QCRLVMGHFWIAOC-HJWRWDBZSA-N 0 0 311.341 3.446 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)c2ccnn2C)cc1 ZINC001132520759 1082929390 /nfs/dbraw/zinc/92/93/90/1082929390.db2.gz AMDOIFCUADCGMG-OAHLLOKOSA-N 0 0 322.412 3.319 20 10 DGCDRN CC(C)(NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000588406810 1083160790 /nfs/dbraw/zinc/16/07/90/1083160790.db2.gz YBKXHYCSVSMGEL-WMZJFQQLSA-N 0 0 315.344 3.302 20 10 DGCDRN O=C(Nc1ccnn1C1CCC1)c1ccc(C2=S=CC=C2)o1 ZINC001134598588 1083312331 /nfs/dbraw/zinc/31/23/31/1083312331.db2.gz IUXCYVWKIJHFNO-UHFFFAOYSA-N 0 0 313.382 3.079 20 10 DGCDRN Cn1cnc(/C=C/C(=O)N2CCCc3cc(Cl)cc(F)c32)c1 ZINC001125879274 1083320303 /nfs/dbraw/zinc/32/03/03/1083320303.db2.gz MXVREEJXTHKANZ-SNAWJCMRSA-N 0 0 319.767 3.205 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1C[C@@H]1C1CCCC1 ZINC001181441640 1083476830 /nfs/dbraw/zinc/47/68/30/1083476830.db2.gz HVRKLWKCXHEQGN-NEFCLYRVSA-N 0 0 301.386 3.054 20 10 DGCDRN COc1ccc(F)cc1CC(=O)NCc1c(C)cc(C)cc1O ZINC001181694261 1083526020 /nfs/dbraw/zinc/52/60/20/1083526020.db2.gz KRSOTYIGAXCCAD-UHFFFAOYSA-N 0 0 317.360 3.016 20 10 DGCDRN [O-]c1cc(Cl)ccc1C[NH2+][C@H]1CCO[C@H](c2ccncc2)C1 ZINC001181845339 1083556745 /nfs/dbraw/zinc/55/67/45/1083556745.db2.gz UBULGKAUIPUIRZ-RDJZCZTQSA-N 0 0 318.804 3.451 20 10 DGCDRN O=C(CCc1ccc(O)c(O)c1)Nc1ccc(C(F)F)nc1 ZINC001182155458 1083635075 /nfs/dbraw/zinc/63/50/75/1083635075.db2.gz XPCJDVRUNFOZBD-UHFFFAOYSA-N 0 0 308.284 3.002 20 10 DGCDRN COC(=O)[C@H](C)c1cccc(NCc2cccc(F)c2O)c1 ZINC001182332619 1083691424 /nfs/dbraw/zinc/69/14/24/1083691424.db2.gz FPAMWRQIJDAPFT-LLVKDONJSA-N 0 0 303.333 3.420 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cccc2c1O[C@H](C)C2 ZINC001126079743 1083793094 /nfs/dbraw/zinc/79/30/94/1083793094.db2.gz GLHWUAOVMDXQKV-CQSZACIVSA-N 0 0 324.424 3.314 20 10 DGCDRN COc1cc(C)c(C[NH2+][C@@H]2COc3cccc(C)c3C2)c(O)c1 ZINC001183013028 1083855996 /nfs/dbraw/zinc/85/59/96/1083855996.db2.gz XMVQQAQVJZCVCN-AWEZNQCLSA-N 0 0 313.397 3.111 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)ccc(F)c1F ZINC001183363827 1083927202 /nfs/dbraw/zinc/92/72/02/1083927202.db2.gz NRHZPLXDUKMLOF-CQSZACIVSA-N 0 0 323.314 3.463 20 10 DGCDRN C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@H]1CO ZINC001203573483 1083992717 /nfs/dbraw/zinc/99/27/17/1083992717.db2.gz BXRGYPVYSGTIGE-RNCFNFMXSA-N 0 0 304.217 3.292 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@H]1O ZINC001203574485 1084000539 /nfs/dbraw/zinc/00/05/39/1084000539.db2.gz YEYMGQDYJYDBCN-NOZJJQNGSA-N 0 0 304.217 3.292 20 10 DGCDRN Cc1ccccc1-n1nccc1C[NH2+]Cc1c([O-])cccc1F ZINC001183918957 1084067013 /nfs/dbraw/zinc/06/70/13/1084067013.db2.gz DJYXBZXXCAFREG-UHFFFAOYSA-N 0 0 311.360 3.315 20 10 DGCDRN C[N@H+](CCCC(=O)OC(C)(C)C)Cc1cc(F)cc(F)c1[O-] ZINC001184153998 1084108249 /nfs/dbraw/zinc/10/82/49/1084108249.db2.gz NFVCRSHBIOMPLO-UHFFFAOYSA-N 0 0 315.360 3.224 20 10 DGCDRN O=C(C1CC2(C1)CC(F)(F)C2)N1CCc2cccc(O)c2C1 ZINC001184204681 1084124777 /nfs/dbraw/zinc/12/47/77/1084124777.db2.gz SVRRKZLUNGFCPI-UHFFFAOYSA-N 0 0 307.340 3.102 20 10 DGCDRN COc1cc(C)c(CNCc2nc(C(C)(C)C)co2)c(O)c1 ZINC001184250718 1084136791 /nfs/dbraw/zinc/13/67/91/1084136791.db2.gz IBGKAEVNKHQTML-UHFFFAOYSA-N 0 0 304.390 3.285 20 10 DGCDRN Cc1noc([C@H](NCc2ccc(N(C)C)cc2C)C(C)C)n1 ZINC001184440742 1084175107 /nfs/dbraw/zinc/17/51/07/1084175107.db2.gz UVBSDNUJMIHTCQ-MRXNPFEDSA-N 0 0 302.422 3.239 20 10 DGCDRN C[C@H]1CCC[C@@H](C(=O)N2CCCc3cc(O)c(O)cc3C2)C1 ZINC001184508761 1084205544 /nfs/dbraw/zinc/20/55/44/1084205544.db2.gz QYRQICBYZNCXNO-GXTWGEPZSA-N 0 0 303.402 3.199 20 10 DGCDRN CC1(C)CC[C@@H](C(=O)N2CCCc3cc(O)c(O)cc3C2)C1 ZINC001185167076 1084364632 /nfs/dbraw/zinc/36/46/32/1084364632.db2.gz JYHVYFUMXKJMPP-CYBMUJFWSA-N 0 0 303.402 3.199 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CC[C@@H](c3ccco3)C2)cc1OC ZINC001185386652 1084427815 /nfs/dbraw/zinc/42/78/15/1084427815.db2.gz CNSCHQVQWDYSMD-LLVKDONJSA-N 0 0 318.329 3.199 20 10 DGCDRN CC[C@@H](C)Oc1cc(NCCc2ccc(O)c(O)c2)nc(C)n1 ZINC001185611986 1084486859 /nfs/dbraw/zinc/48/68/59/1084486859.db2.gz RIDQQNUUEKTSFS-LLVKDONJSA-N 0 0 317.389 3.028 20 10 DGCDRN COc1ccc(-c2nccc(N(C)Cc3ccccc3O)n2)cc1 ZINC001185839088 1084535930 /nfs/dbraw/zinc/53/59/30/1084535930.db2.gz ZBJGDMNCUZAOSY-UHFFFAOYSA-N 0 0 321.380 3.494 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(O)c(C(=O)NCC(F)(F)F)c1 ZINC001186827639 1084710149 /nfs/dbraw/zinc/71/01/49/1084710149.db2.gz XAOQRQJNJWJBJB-UHFFFAOYSA-N 0 0 312.291 3.092 20 10 DGCDRN Oc1cccc2c1CN(c1nccc(Oc3ccccc3)n1)C2 ZINC001187405112 1084797299 /nfs/dbraw/zinc/79/72/99/1084797299.db2.gz MIWKMRDQSHMHEH-UHFFFAOYSA-N 0 0 305.337 3.495 20 10 DGCDRN CSCCc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001143582026 1086054409 /nfs/dbraw/zinc/05/44/09/1086054409.db2.gz GUORGVGBFOERJC-UHFFFAOYSA-N 0 0 317.410 3.185 20 10 DGCDRN Cc1cncc2cccc(NCCc3cc(O)c(O)cc3O)c12 ZINC001168006141 1086153774 /nfs/dbraw/zinc/15/37/74/1086153774.db2.gz SUBHQSMZVGWYCL-UHFFFAOYSA-N 0 0 310.353 3.315 20 10 DGCDRN CSc1cc(NCCc2cc(O)c(O)cc2O)ccc1C ZINC001168013948 1086261598 /nfs/dbraw/zinc/26/15/98/1086261598.db2.gz MEQACGISWUMOCA-UHFFFAOYSA-N 0 0 305.399 3.488 20 10 DGCDRN Cc1nc(C)c(CC(=O)Nc2c3nonc3ccc2Cl)s1 ZINC001271357021 1086586865 /nfs/dbraw/zinc/58/68/65/1086586865.db2.gz QTADMOTUMSUWFQ-UHFFFAOYSA-N 0 0 322.777 3.131 20 10 DGCDRN Cc1cccc(O[C@H]2CC[N@H+](Cc3cc(F)c(F)cc3[O-])C2)n1 ZINC001142530416 1087278907 /nfs/dbraw/zinc/27/89/07/1087278907.db2.gz HDIWNJRMNZMXER-ZDUSSCGKSA-N 0 0 320.339 3.027 20 10 DGCDRN CCCOc1ccc(F)cc1N(CCO)c1ccc(N)cc1 ZINC001212198092 1087782002 /nfs/dbraw/zinc/78/20/02/1087782002.db2.gz SKSNKGRZNLDCAZ-UHFFFAOYSA-N 0 0 304.365 3.327 20 10 DGCDRN COc1cccc(C(F)(F)C(=O)N[C@H](C)c2ccccc2O)c1 ZINC001151892140 1087814019 /nfs/dbraw/zinc/81/40/19/1087814019.db2.gz KBKDRMFLWGODQQ-LLVKDONJSA-N 0 0 321.323 3.370 20 10 DGCDRN Cc1nnc(-c2ccccc2C(=O)N[C@@H](C)c2ccccc2O)o1 ZINC001151892625 1087814291 /nfs/dbraw/zinc/81/42/91/1087814291.db2.gz UJMGBFARLWNQSG-NSHDSACASA-N 0 0 323.352 3.242 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1c(F)c(F)cc(F)c1F ZINC000176545770 1087916758 /nfs/dbraw/zinc/91/67/58/1087916758.db2.gz CKMSHFDGMKBHHC-UHFFFAOYSA-N 0 0 313.250 3.221 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]2C)cc1F ZINC000176576817 1088013710 /nfs/dbraw/zinc/01/37/10/1088013710.db2.gz MNAYMPJDHFMQNA-CYBMUJFWSA-N 0 0 307.413 3.366 20 10 DGCDRN Oc1ccc(CNc2ncc3c(Cl)cccc3n2)cc1O ZINC001158995293 1088122602 /nfs/dbraw/zinc/12/26/02/1088122602.db2.gz BQEHLHKRDWWKTQ-UHFFFAOYSA-N 0 0 301.733 3.307 20 10 DGCDRN COc1cc2ccnc(NCc3ccc(O)c(O)c3)c2cc1F ZINC001159004742 1088133605 /nfs/dbraw/zinc/13/36/05/1088133605.db2.gz ITXLDVJKAFLJAU-UHFFFAOYSA-N 0 0 314.316 3.406 20 10 DGCDRN Oc1ccc(CNc2ccc(COC3CCC3)cn2)cc1O ZINC001159006247 1088135561 /nfs/dbraw/zinc/13/55/61/1088135561.db2.gz WMQKIGUWQQZDGO-UHFFFAOYSA-N 0 0 300.358 3.174 20 10 DGCDRN CCCc1nc2cc(C(=O)NCc3ccccc3O)cc(C)c2[nH]1 ZINC001153453703 1088251837 /nfs/dbraw/zinc/25/18/37/1088251837.db2.gz IFCHYQJDGIKXLW-UHFFFAOYSA-N 0 0 323.396 3.459 20 10 DGCDRN CCOc1cc(Cl)ccc1C(=O)NCc1cccc(O)c1O ZINC001153798635 1088363332 /nfs/dbraw/zinc/36/33/32/1088363332.db2.gz SWDVCZRURCFXJJ-UHFFFAOYSA-N 0 0 321.760 3.080 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)[C@H]1CCc2c1cccc2Cl ZINC001153884298 1088396920 /nfs/dbraw/zinc/39/69/20/1088396920.db2.gz BIHKGKKTOCGNSX-AWEZNQCLSA-N 0 0 317.772 3.097 20 10 DGCDRN CCON(CC)C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001649021199 1088412554 /nfs/dbraw/zinc/41/25/54/1088412554.db2.gz CCXOECILVDBKGN-UHFFFAOYSA-N 0 0 300.402 3.437 20 10 DGCDRN Oc1ccc(Br)cc1CNc1cnc2cc[nH]c2n1 ZINC001160013181 1088601835 /nfs/dbraw/zinc/60/18/35/1088601835.db2.gz ZMPBZWZQCVXJDR-UHFFFAOYSA-N 0 0 319.162 3.038 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)c(C)n1-c1ccccc1C ZINC001160080539 1088633445 /nfs/dbraw/zinc/63/34/45/1088633445.db2.gz LSDXNOZKZPDEQJ-KVSKMBFKSA-N 0 0 324.424 3.452 20 10 DGCDRN Oc1cc2ccccc2cc1CNc1nnc2ccccc2n1 ZINC001160206647 1088697100 /nfs/dbraw/zinc/69/71/00/1088697100.db2.gz OTSCCTCZQHYHGM-UHFFFAOYSA-N 0 0 302.337 3.496 20 10 DGCDRN CCn1cnc2c1ncnc2NCc1cc2ccccc2cc1O ZINC001160206569 1088697770 /nfs/dbraw/zinc/69/77/70/1088697770.db2.gz KPJWBDPUNAPQGV-UHFFFAOYSA-N 0 0 319.368 3.317 20 10 DGCDRN Cc1c(F)ccc(N)c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001154669285 1088700302 /nfs/dbraw/zinc/70/03/02/1088700302.db2.gz WFJSDJGKOCIJIH-GFCCVEGCSA-N 0 0 315.392 3.273 20 10 DGCDRN Cc1ccc2cnccc2c1NC(=O)Cc1ccc(O)c(O)c1 ZINC001160269998 1088732840 /nfs/dbraw/zinc/73/28/40/1088732840.db2.gz NXUZJWAADFMAKE-UHFFFAOYSA-N 0 0 308.337 3.136 20 10 DGCDRN CCN(Cc1ccccc1O)c1nc(Cl)nc2nc(C)[nH]c21 ZINC001154890377 1088812844 /nfs/dbraw/zinc/81/28/44/1088812844.db2.gz XPCWZELNRQIVGW-UHFFFAOYSA-N 0 0 317.780 3.047 20 10 DGCDRN CCN(Cc1ccccc1O)c1ncc2ncn(C(C)C)c2n1 ZINC001154890547 1088813843 /nfs/dbraw/zinc/81/38/43/1088813843.db2.gz BIYOSYZMUNCRPI-UHFFFAOYSA-N 0 0 311.389 3.139 20 10 DGCDRN COC(=O)c1ccc2cnc(NCc3cccc(C)c3O)nc2c1 ZINC001160765197 1088947371 /nfs/dbraw/zinc/94/73/71/1088947371.db2.gz WKNHTZIGMXDVBU-UHFFFAOYSA-N 0 0 323.352 3.043 20 10 DGCDRN Cc1cc(C)c(CNC(F)(F)c2ccnc(Cl)n2)c(O)c1 ZINC001160808158 1088971657 /nfs/dbraw/zinc/97/16/57/1088971657.db2.gz MSXCHCQWCIFSHC-UHFFFAOYSA-N 0 0 313.735 3.292 20 10 DGCDRN Cc1cc(C)c(CNC(F)(F)c2ccc(Cl)nn2)c(O)c1 ZINC001160808243 1088971744 /nfs/dbraw/zinc/97/17/44/1088971744.db2.gz OTOVWVIFHCJOIL-UHFFFAOYSA-N 0 0 313.735 3.292 20 10 DGCDRN Cc1cc(C)c(CNc2ncc(C)c(N3CCCC3)n2)c(O)c1 ZINC001160807766 1088971945 /nfs/dbraw/zinc/97/19/45/1088971945.db2.gz CHLUJKBWJXQZRL-UHFFFAOYSA-N 0 0 312.417 3.320 20 10 DGCDRN CCCNC(=O)c1cccnc1NCc1c(C)cc(C)cc1O ZINC001160811051 1088973286 /nfs/dbraw/zinc/97/32/86/1088973286.db2.gz CUIRTOBEFAAQDD-UHFFFAOYSA-N 0 0 313.401 3.156 20 10 DGCDRN COc1c(Cl)nc(C)nc1NCc1c(C)cc(C)cc1O ZINC001160809922 1088973982 /nfs/dbraw/zinc/97/39/82/1088973982.db2.gz DOYMXXYITBEZQU-UHFFFAOYSA-N 0 0 307.781 3.382 20 10 DGCDRN C=Cc1ccc(NC(=O)c2cc3cc(O)c(O)cc3oc2=O)cc1 ZINC001155228831 1089015885 /nfs/dbraw/zinc/01/58/85/1089015885.db2.gz ZQTFTQHHHINDKO-UHFFFAOYSA-N 0 0 323.304 3.100 20 10 DGCDRN CC(C)N(Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCC[NH2+]C1 ZINC001236470864 1089209617 /nfs/dbraw/zinc/20/96/17/1089209617.db2.gz RJNWMBSRFGYTTG-CYBMUJFWSA-N 0 0 300.805 3.147 20 10 DGCDRN Oc1cc2c(cc1O)CN(c1nc(Cl)ccc1F)CCC2 ZINC001155933287 1089302657 /nfs/dbraw/zinc/30/26/57/1089302657.db2.gz PDFPVROTUXTPOA-UHFFFAOYSA-N 0 0 308.740 3.238 20 10 DGCDRN Cc1ccc2nc(N3CCCc4cc(O)c(O)cc4C3)ncc2c1 ZINC001155941777 1089305337 /nfs/dbraw/zinc/30/53/37/1089305337.db2.gz YVOURSLTGQYEHZ-UHFFFAOYSA-N 0 0 321.380 3.302 20 10 DGCDRN CCCc1cc(N2CCCc3cc(O)c(O)cc3C2)nc(C)n1 ZINC001155945008 1089308458 /nfs/dbraw/zinc/30/84/58/1089308458.db2.gz PBHFNZBXLHLXNO-UHFFFAOYSA-N 0 0 313.401 3.102 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2cc(O)cc3[nH]ccc32)c(O)c1 ZINC001155967428 1089321265 /nfs/dbraw/zinc/32/12/65/1089321265.db2.gz FGSPNUDXHJCOFV-UHFFFAOYSA-N 0 0 310.353 3.126 20 10 DGCDRN Cn1ccc(C(=O)NCc2c(O)cccc2F)c1-c1ccccc1 ZINC001156170359 1089416447 /nfs/dbraw/zinc/41/64/47/1089416447.db2.gz LTRRNKQQGIODMR-UHFFFAOYSA-N 0 0 324.355 3.467 20 10 DGCDRN Cc1ccccc1C(F)(F)C(=O)NCc1c(O)cccc1F ZINC001156170685 1089417048 /nfs/dbraw/zinc/41/70/48/1089417048.db2.gz RWKQHHXFESRMQX-UHFFFAOYSA-N 0 0 309.287 3.248 20 10 DGCDRN O=C(NCc1c(O)cccc1O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001156885772 1089731481 /nfs/dbraw/zinc/73/14/81/1089731481.db2.gz NVUHJXGQGLUCFN-RKDXNWHRSA-N 0 0 323.801 3.233 20 10 DGCDRN COC[C@@H](C)[C@H](C)C(=O)NCc1c(O)ccc2ccccc21 ZINC001157041352 1089795942 /nfs/dbraw/zinc/79/59/42/1089795942.db2.gz FIVVHROBPWFLPO-OLZOCXBDSA-N 0 0 301.386 3.080 20 10 DGCDRN CCc1cccc(CC(=O)NCc2ccc3cccnc3c2O)c1 ZINC001162613220 1089831227 /nfs/dbraw/zinc/83/12/27/1089831227.db2.gz ZMIOLELYMUEHSE-UHFFFAOYSA-N 0 0 320.392 3.362 20 10 DGCDRN Nc1ccc(CNC(F)(F)c2cnc(Cl)nc2Cl)cc1 ZINC001162784850 1089953765 /nfs/dbraw/zinc/95/37/65/1089953765.db2.gz YURZTBCAFFGOIS-UHFFFAOYSA-N 0 0 319.142 3.205 20 10 DGCDRN Nc1ccc(CNc2ccc(-c3ccccc3[N+](=O)[O-])nn2)cc1 ZINC001162786984 1089956147 /nfs/dbraw/zinc/95/61/47/1089956147.db2.gz DWZZNNPKJJNSEP-UHFFFAOYSA-N 0 0 321.340 3.246 20 10 DGCDRN CC[C@H](C)Oc1cc(N(C)Cc2ccccc2O)nc(C)n1 ZINC001162838426 1089984560 /nfs/dbraw/zinc/98/45/60/1089984560.db2.gz OLXUWHUKRFHZCY-LBPRGKRZSA-N 0 0 301.390 3.304 20 10 DGCDRN Cc1nnc(NCc2cc(Cl)c3cccnc3c2O)nc1C ZINC001157727099 1090089484 /nfs/dbraw/zinc/08/94/84/1090089484.db2.gz IJGFXKJUXXWVTG-UHFFFAOYSA-N 0 0 315.764 3.008 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1nccc2ccccc21 ZINC001157880751 1090138280 /nfs/dbraw/zinc/13/82/80/1090138280.db2.gz HKGJIPBBODQADQ-VURMDHGXSA-N 0 0 306.321 3.298 20 10 DGCDRN C[C@@H]1CO[C@@H]2C[N@H+](Cc3c([O-])ccc(Cl)c3Cl)C[C@H]12 ZINC001237083221 1090284224 /nfs/dbraw/zinc/28/42/24/1090284224.db2.gz AABPMNDOCJRPMN-JRKPZEMJSA-N 0 0 302.201 3.166 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])CCC[C@]1(C)O ZINC001237617164 1090314749 /nfs/dbraw/zinc/31/47/49/1090314749.db2.gz LYNSIMVTJVXITO-BMIGLBTASA-N 0 0 301.789 3.168 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])CCC[C@@]1(C)O ZINC001237617169 1090314767 /nfs/dbraw/zinc/31/47/67/1090314767.db2.gz LYNSIMVTJVXITO-MEBBXXQBSA-N 0 0 301.789 3.168 20 10 DGCDRN Cc1c(F)ccc(N)c1C(=O)NCc1cc(Cl)ccc1O ZINC001165507191 1090526706 /nfs/dbraw/zinc/52/67/06/1090526706.db2.gz BNZGJEWIMABKOP-UHFFFAOYSA-N 0 0 308.740 3.005 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1onc2ccccc21 ZINC001165508732 1090527466 /nfs/dbraw/zinc/52/74/66/1090527466.db2.gz VNDFKTUBLIDQAW-UHFFFAOYSA-N 0 0 302.717 3.117 20 10 DGCDRN COC(=O)c1cc(OCc2ncccc2Cl)ccc1N(C)C ZINC001166714743 1090646031 /nfs/dbraw/zinc/64/60/31/1090646031.db2.gz YBMGYWBZGMAIKF-UHFFFAOYSA-N 0 0 320.776 3.167 20 10 DGCDRN O=c1oc2ccccc2n1C1CC[NH+](Cc2ccccc2O)CC1 ZINC001203556197 1090754340 /nfs/dbraw/zinc/75/43/40/1090754340.db2.gz NGSBFLUOMUHPQA-UHFFFAOYSA-N 0 0 324.380 3.137 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@]2(CCCO2)C1 ZINC001203574479 1090759757 /nfs/dbraw/zinc/75/97/57/1090759757.db2.gz YAYLAOBDFMTDMG-CQSZACIVSA-N 0 0 302.201 3.454 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CC([NH+]2CCCCC2)C1 ZINC001203582092 1090761344 /nfs/dbraw/zinc/76/13/44/1090761344.db2.gz QCKRAAKTTUNYHZ-UHFFFAOYSA-N 0 0 315.244 3.369 20 10 DGCDRN CCOc1cccc(CN2CC(F)(F)C[C@@]2(C)CF)c1O ZINC001203603008 1090765331 /nfs/dbraw/zinc/76/53/31/1090765331.db2.gz FYDLBPJUTHISSD-AWEZNQCLSA-N 0 0 303.324 3.360 20 10 DGCDRN Nc1ccc(Nc2ccccc2C(=O)c2ccncc2)c(F)n1 ZINC001203626757 1090768959 /nfs/dbraw/zinc/76/89/59/1090768959.db2.gz LMEBZBJDVUPYMJ-UHFFFAOYSA-N 0 0 308.316 3.173 20 10 DGCDRN Nc1ccc(N(CCO)c2cccnc2-c2ccccc2)cc1 ZINC001203648518 1090772961 /nfs/dbraw/zinc/77/29/61/1090772961.db2.gz XCWRSCDFEGHSLX-UHFFFAOYSA-N 0 0 305.381 3.461 20 10 DGCDRN Oc1ccc(Cl)cc1CN1CC(Oc2ccccc2F)C1 ZINC001203664249 1090775936 /nfs/dbraw/zinc/77/59/36/1090775936.db2.gz TXVJCEJTYPDXJX-UHFFFAOYSA-N 0 0 307.752 3.448 20 10 DGCDRN CCCN(CC(=O)OCC)Cc1ccc(N(CC)CC)cc1 ZINC001203941748 1090845593 /nfs/dbraw/zinc/84/55/93/1090845593.db2.gz GJYJOIHUCMSZFD-UHFFFAOYSA-N 0 0 306.450 3.308 20 10 DGCDRN COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204233199 1090930054 /nfs/dbraw/zinc/93/00/54/1090930054.db2.gz OSCLAFRUDMIPAD-GOSISDBHSA-N 0 0 312.413 3.043 20 10 DGCDRN Oc1ccc(CN(Cc2cccnc2)Cc2ccccn2)c(O)c1 ZINC001204274526 1090938153 /nfs/dbraw/zinc/93/81/53/1090938153.db2.gz DDMXIHMYMKAVNL-UHFFFAOYSA-N 0 0 321.380 3.090 20 10 DGCDRN c1cncc([C@@H]2COCCN2Cc2ccc(N3CCCC3)cc2)c1 ZINC001204328843 1090950142 /nfs/dbraw/zinc/95/01/42/1090950142.db2.gz PPAPFNWGJQYAOE-FQEVSTJZSA-N 0 0 323.440 3.255 20 10 DGCDRN CN(C)c1cccc(C[N@H+](C)Cc2cc(F)cc(F)c2[O-])c1 ZINC001204674191 1091015332 /nfs/dbraw/zinc/01/53/32/1091015332.db2.gz SLWPDFVDWLGLQX-UHFFFAOYSA-N 0 0 306.356 3.368 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cc3c[nH]ccc-3n2)cc1 ZINC001626085053 1091017486 /nfs/dbraw/zinc/01/74/86/1091017486.db2.gz AMAKBTLJKCJHID-UHFFFAOYSA-N 0 0 322.412 3.339 20 10 DGCDRN Cc1cccc(N2CC[NH+](Cc3c([O-])cccc3F)CC2)c1 ZINC001137831519 1091091216 /nfs/dbraw/zinc/09/12/16/1091091216.db2.gz CJKALYIFLCIVJW-UHFFFAOYSA-N 0 0 300.377 3.162 20 10 DGCDRN Cc1ccccc1OCC[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC001205113942 1091105708 /nfs/dbraw/zinc/10/57/08/1091105708.db2.gz BNRUZMGVFXCRHA-UHFFFAOYSA-N 0 0 307.340 3.490 20 10 DGCDRN Cc1c(CN2C[C@@H]3C[C@H]2[C@H](C(F)(F)F)O3)c2ccccc2n1C ZINC001138258041 1091126581 /nfs/dbraw/zinc/12/65/81/1091126581.db2.gz JDRJIDCQHDLVNG-KNXALSJPSA-N 0 0 324.346 3.391 20 10 DGCDRN CCN(CC)c1ccc(CN2CCCC(=O)[C@@H](F)C2)c(OC)c1 ZINC001138386435 1091161330 /nfs/dbraw/zinc/16/13/30/1091161330.db2.gz MZCYWQVAUTWAGJ-INIZCTEOSA-N 0 0 322.424 3.044 20 10 DGCDRN COc1c(F)cc(CN2CCc3cccc(O)c3C2)cc1F ZINC001138426331 1091179880 /nfs/dbraw/zinc/17/98/80/1091179880.db2.gz OVLSULWPLFMQNL-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN CCCCC[C@@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)OC ZINC001205434834 1091220508 /nfs/dbraw/zinc/22/05/08/1091220508.db2.gz RCAVICKNNQDYSB-CNZFZVQHSA-N 0 0 318.461 3.477 20 10 DGCDRN O=C(Nc1ccc(F)cc1OC(F)F)c1cccc(O)c1O ZINC001294073671 1091344368 /nfs/dbraw/zinc/34/43/68/1091344368.db2.gz UWMCLEYPTLCSHW-UHFFFAOYSA-N 0 0 313.231 3.091 20 10 DGCDRN Cc1ncc(-c2ncnc3c2ccn3Cc2ccc(F)cc2)cn1 ZINC001205825791 1091367583 /nfs/dbraw/zinc/36/75/83/1091367583.db2.gz FSWSLIMDVHZYKQ-UHFFFAOYSA-N 0 0 319.343 3.384 20 10 DGCDRN O=[N+]([O-])c1cncc(Cl)c1NCc1cccc(Cl)c1O ZINC001164341476 1091405118 /nfs/dbraw/zinc/40/51/18/1091405118.db2.gz HJKGIKYRQBFRON-UHFFFAOYSA-N 0 0 314.128 3.036 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCC[C@@](C)(F)C1 ZINC001139127580 1091459484 /nfs/dbraw/zinc/45/94/84/1091459484.db2.gz YCTWUQAVPOGCBM-QGZVFWFLSA-N 0 0 305.349 3.131 20 10 DGCDRN O=C(Cc1nc(C2CCCC2)cs1)NCc1ccccc1O ZINC001294924475 1091472356 /nfs/dbraw/zinc/47/23/56/1091472356.db2.gz FDGMTVSIDZHVSD-UHFFFAOYSA-N 0 0 316.426 3.365 20 10 DGCDRN [O-]c1c(C[NH2+]C[C@H]2CSc3ccccc3O2)ccc(F)c1F ZINC001206446932 1091633768 /nfs/dbraw/zinc/63/37/68/1091633768.db2.gz DRGNFUFVIPXYHJ-NSHDSACASA-N 0 0 323.364 3.313 20 10 DGCDRN [O-]c1c(F)ccc(F)c1CN1CCC([NH+]2CCCCC2)CC1 ZINC001139685770 1091641376 /nfs/dbraw/zinc/64/13/76/1091641376.db2.gz WOOPQJAXCOBOQF-UHFFFAOYSA-N 0 0 310.388 3.121 20 10 DGCDRN CC(C)c1noc([C@@H]2CCC[N@H+](Cc3cc(F)ccc3O)C2)n1 ZINC001140059178 1091752375 /nfs/dbraw/zinc/75/23/75/1091752375.db2.gz XJBLDKNFVZBVDI-GFCCVEGCSA-N 0 0 319.380 3.417 20 10 DGCDRN Cc1ccc(C)c(CN(C)CC(=O)OCc2ccccc2)c1O ZINC001140184635 1091794591 /nfs/dbraw/zinc/79/45/91/1091794591.db2.gz CHNSEDQGDAFGND-UHFFFAOYSA-N 0 0 313.397 3.184 20 10 DGCDRN CC(C)(C)[NH2+]CCC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000828026356 1091802320 /nfs/dbraw/zinc/80/23/20/1091802320.db2.gz QFZDFPSKDBKQNS-UHFFFAOYSA-N 0 0 319.232 3.093 20 10 DGCDRN COc1ccc(N(CCO)c2ccc(N)cc2)cc1OC(C)C ZINC001203018030 1091810320 /nfs/dbraw/zinc/81/03/20/1091810320.db2.gz UGXFYWQXNYCWTD-UHFFFAOYSA-N 0 0 316.401 3.195 20 10 DGCDRN CCC/C=C/[C@@H](O)C(=O)N(CCCC)Cc1ccccc1O ZINC001297004922 1091819114 /nfs/dbraw/zinc/81/91/14/1091819114.db2.gz DJCITHJRAOMKEV-SNQZOLJRSA-N 0 0 305.418 3.238 20 10 DGCDRN C[N@H+](Cc1ccccc1O)Cc1ccccc1-c1cnc(N)nc1 ZINC001140325780 1091827528 /nfs/dbraw/zinc/82/75/28/1091827528.db2.gz UYPKSWRNUSEUBU-UHFFFAOYSA-N 0 0 320.396 3.063 20 10 DGCDRN C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CC[C@@]1(O)C(F)(F)F ZINC001140337942 1091833916 /nfs/dbraw/zinc/83/39/16/1091833916.db2.gz OAIXTUYEJJHUQS-ZANVPECISA-N 0 0 323.742 3.181 20 10 DGCDRN OC[C@@H]1CCC[C@H](C(F)(F)F)N1Cc1ccc(Cl)cc1O ZINC001140461421 1091874948 /nfs/dbraw/zinc/87/49/48/1091874948.db2.gz LVVXMKDBJXULAU-WCQYABFASA-N 0 0 323.742 3.323 20 10 DGCDRN CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc(Cl)cc1O ZINC001140465065 1091876678 /nfs/dbraw/zinc/87/66/78/1091876678.db2.gz GZIPEDYLTUQOSG-PJODQICGSA-N 0 0 323.820 3.209 20 10 DGCDRN C[N@@H+](Cc1c([O-])cc(F)cc1F)C[C@H]1Cc2ccccc2O1 ZINC001140584675 1091920093 /nfs/dbraw/zinc/92/00/93/1091920093.db2.gz AXWBSTXNLPBSCS-CYBMUJFWSA-N 0 0 305.324 3.106 20 10 DGCDRN C[N@H+](CCc1c(Cl)ncnc1Cl)Cc1ccccc1O ZINC001207332735 1091926430 /nfs/dbraw/zinc/92/64/30/1091926430.db2.gz VJNQSZASJIQQNJ-UHFFFAOYSA-N 0 0 312.200 3.164 20 10 DGCDRN CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1c(N)cccc1F ZINC001140876976 1092042894 /nfs/dbraw/zinc/04/28/94/1092042894.db2.gz SLQGWTHVVKYOLQ-UHFFFAOYSA-N 0 0 301.409 3.496 20 10 DGCDRN COc1cc(O)c(C[N@H+](C)Cc2cccc(C)c2)c(OC)c1 ZINC001141031954 1092112918 /nfs/dbraw/zinc/11/29/18/1092112918.db2.gz OKSHSJUHFWTKEY-UHFFFAOYSA-N 0 0 301.386 3.350 20 10 DGCDRN COc1cc(O)c(C[N@@H+]2CCC[C@H]2c2cccnc2)c(OC)c1 ZINC001141031271 1092113291 /nfs/dbraw/zinc/11/32/91/1092113291.db2.gz AWXWXUXWJVRTNJ-INIZCTEOSA-N 0 0 314.385 3.142 20 10 DGCDRN Cc1ncc(C[N@@H+](C)Cc2cc3c4c(c2)CCCN4CCC3)cn1 ZINC001141077945 1092130144 /nfs/dbraw/zinc/13/01/44/1092130144.db2.gz FYHNSGVWOXUABA-UHFFFAOYSA-N 0 0 322.456 3.116 20 10 DGCDRN CN1CCOc2cc(CN3CCCC(F)(F)[C@@H](F)C3)ccc21 ZINC001141139905 1092148301 /nfs/dbraw/zinc/14/83/01/1092148301.db2.gz DLHSTEPDIGKYIF-HNNXBMFYSA-N 0 0 314.351 3.084 20 10 DGCDRN CN1CCOc2cc(CN3CCCC[C@H]3C(F)(F)F)ccc21 ZINC001141142768 1092149127 /nfs/dbraw/zinc/14/91/27/1092149127.db2.gz AKILTKJNKAXRNU-HNNXBMFYSA-N 0 0 314.351 3.432 20 10 DGCDRN C[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141145706 1092150633 /nfs/dbraw/zinc/15/06/33/1092150633.db2.gz YOVOLJKZARHSQA-HNNXBMFYSA-N 0 0 308.425 3.462 20 10 DGCDRN CN(Cc1nc2ccccc2s1)Cc1cc(O)ccc1O ZINC001141156059 1092156549 /nfs/dbraw/zinc/15/65/49/1092156549.db2.gz DQZUSBCQQFETSL-UHFFFAOYSA-N 0 0 300.383 3.340 20 10 DGCDRN Oc1ccc(O)c(CN2Cc3cnc(-c4ccccc4)nc3C2)c1 ZINC001141162505 1092158134 /nfs/dbraw/zinc/15/81/34/1092158134.db2.gz VEJHBDPOKUAFMT-UHFFFAOYSA-N 0 0 319.364 3.071 20 10 DGCDRN COc1ccsc1CN1CCN(c2ccc(OC)cc2)CC1 ZINC001141318611 1092206150 /nfs/dbraw/zinc/20/61/50/1092206150.db2.gz UPJDWSITKFHWSZ-UHFFFAOYSA-N 0 0 318.442 3.088 20 10 DGCDRN CCSc1ccccc1CC(=O)NCc1ccccc1O ZINC001545682079 1092299834 /nfs/dbraw/zinc/29/98/34/1092299834.db2.gz PKNGKOFKXFIYAA-UHFFFAOYSA-N 0 0 301.411 3.363 20 10 DGCDRN O=C(CCC(=O)N1CCc2cccc(O)c2C1)c1cccs1 ZINC001142098548 1092409079 /nfs/dbraw/zinc/40/90/79/1092409079.db2.gz FSSMUTRHQQTDEZ-UHFFFAOYSA-N 0 0 315.394 3.002 20 10 DGCDRN CCn1cccc1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001142418562 1092479613 /nfs/dbraw/zinc/47/96/13/1092479613.db2.gz GMEJCEOFOSZILV-HNNXBMFYSA-N 0 0 313.445 3.243 20 10 DGCDRN CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(F)c(F)cc1[O-] ZINC001142531483 1092497925 /nfs/dbraw/zinc/49/79/25/1092497925.db2.gz YSECTSQAHCRZDV-UHFFFAOYSA-N 0 0 321.323 3.421 20 10 DGCDRN Cc1cccc(C(=O)NCc2ccc3cccnc3c2O)c1C ZINC001142728520 1092539342 /nfs/dbraw/zinc/53/93/42/1092539342.db2.gz WNBSHSFBYOTTFQ-UHFFFAOYSA-N 0 0 306.365 3.487 20 10 DGCDRN C/C(=C\c1ccncc1)C(=O)NCc1ccc2cccnc2c1O ZINC001142731262 1092539825 /nfs/dbraw/zinc/53/98/25/1092539825.db2.gz QTXPKNYBQXWEQV-ACCUITESSA-N 0 0 319.364 3.055 20 10 DGCDRN O=C(/C=C/c1ccccc1)N1CCCc2cc(O)c(O)cc2C1 ZINC001142868379 1092571654 /nfs/dbraw/zinc/57/16/54/1092571654.db2.gz MTUYATWAUPRTFY-CMDGGOBGSA-N 0 0 309.365 3.086 20 10 DGCDRN CCN1CCC([NH2+]Cc2cc(Cl)c3cccnc3c2[O-])CC1 ZINC001169230539 1092603255 /nfs/dbraw/zinc/60/32/55/1092603255.db2.gz DTTFNIRZAVSWAP-UHFFFAOYSA-N 0 0 319.836 3.168 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)C1CCOCC1 ZINC001143024734 1092605497 /nfs/dbraw/zinc/60/54/97/1092605497.db2.gz KUACQOMRYQMVAH-KRWDZBQOSA-N 0 0 317.429 3.175 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cccc2c1OCC2 ZINC001150385323 1092777126 /nfs/dbraw/zinc/77/71/26/1092777126.db2.gz ADCQRMSTHPZUNX-UHFFFAOYSA-N 0 0 323.392 3.136 20 10 DGCDRN CCc1nc2ccccc2n1CCC(=O)NCc1ccccc1O ZINC001150535568 1092790013 /nfs/dbraw/zinc/79/00/13/1092790013.db2.gz DRLHVGCKHGXZCE-UHFFFAOYSA-N 0 0 323.396 3.011 20 10 DGCDRN COC(=O)[C@H]1CCCN1Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001209516477 1092805769 /nfs/dbraw/zinc/80/57/69/1092805769.db2.gz IAQLXYVRBKFUOQ-GOSISDBHSA-N 0 0 312.413 3.232 20 10 DGCDRN O=C1c2cc(Nc3ccc4c(c3)OCCN4)ccc2CN1C1CC1 ZINC001209788810 1092923876 /nfs/dbraw/zinc/92/38/76/1092923876.db2.gz HUAFXUZPOAPLHA-UHFFFAOYSA-N 0 0 321.380 3.353 20 10 DGCDRN Oc1cccc(Nc2ccc(N3CCOCC3)c(Cl)c2)c1O ZINC001210980708 1093344530 /nfs/dbraw/zinc/34/45/30/1093344530.db2.gz HZVBLYJOQHDRKF-UHFFFAOYSA-N 0 0 320.776 3.331 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCc2cccc(Cl)c2)c1 ZINC001211097037 1093379260 /nfs/dbraw/zinc/37/92/60/1093379260.db2.gz NMAYRKJBBGBAAV-UHFFFAOYSA-N 0 0 304.777 3.353 20 10 DGCDRN Nc1ccc(N(Cc2ccccc2)c2cncc(CO)c2)cc1 ZINC001211106146 1093382030 /nfs/dbraw/zinc/38/20/30/1093382030.db2.gz FJETZVNGEGABDR-UHFFFAOYSA-N 0 0 305.381 3.494 20 10 DGCDRN Nc1ccc(N(CCO)c2cc(C(F)(F)F)ccc2N)cc1 ZINC001211149952 1093394037 /nfs/dbraw/zinc/39/40/37/1093394037.db2.gz ZYXHFHGENPGOLY-UHFFFAOYSA-N 0 0 311.307 3.000 20 10 DGCDRN C[C@@H](NS(=O)(=O)/C=C\c1ccc(F)cc1)c1ccccc1O ZINC001213415645 1093582125 /nfs/dbraw/zinc/58/21/25/1093582125.db2.gz WDUBODQHTJDMRC-NLYDNYMLSA-N 0 0 321.373 3.183 20 10 DGCDRN Cc1cc(F)c(F)cc1-c1noc(-c2cccc(O)c2O)n1 ZINC001215145751 1093926721 /nfs/dbraw/zinc/92/67/21/1093926721.db2.gz HBTOZZSPBFXRQB-UHFFFAOYSA-N 0 0 304.252 3.401 20 10 DGCDRN COc1cc(F)c(F)cc1-c1noc(-c2ccc(O)c(O)c2)n1 ZINC001215304325 1093955770 /nfs/dbraw/zinc/95/57/70/1093955770.db2.gz KOIKWSYYKKYWEO-UHFFFAOYSA-N 0 0 320.251 3.102 20 10 DGCDRN COc1c(F)c(F)ccc1-c1noc(-c2ccc(O)c(O)c2)n1 ZINC001215304509 1093956090 /nfs/dbraw/zinc/95/60/90/1093956090.db2.gz PYBVDGVWFBBHIZ-UHFFFAOYSA-N 0 0 320.251 3.102 20 10 DGCDRN O=C1CCCc2cc(-c3noc(-c4ccc(O)c(O)c4)n3)ccc21 ZINC001215304259 1093956110 /nfs/dbraw/zinc/95/61/10/1093956110.db2.gz IHBITHLPDDQMCS-UHFFFAOYSA-N 0 0 322.320 3.334 20 10 DGCDRN CN(C)c1ccc(N(CCO)c2ccc(N)cc2)cc1Cl ZINC001216061598 1094114624 /nfs/dbraw/zinc/11/46/24/1094114624.db2.gz WYWCQVWSMRPXMG-UHFFFAOYSA-N 0 0 305.809 3.119 20 10 DGCDRN Cn1cnc(/C=C/C(=O)N2CCCc3cc(Cl)ccc32)c1 ZINC001120247875 1094393444 /nfs/dbraw/zinc/39/34/44/1094393444.db2.gz HEQORJFGISWFSF-FNORWQNLSA-N 0 0 301.777 3.066 20 10 DGCDRN O=C(/C=C\c1cncc(F)c1)Nc1c2nonc2ccc1Cl ZINC001120344213 1094410045 /nfs/dbraw/zinc/41/00/45/1094410045.db2.gz MCESSSZDIFVNTJ-RJRFIUFISA-N 0 0 318.695 3.062 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCCc3occc32)cc1 ZINC001135224004 1094447973 /nfs/dbraw/zinc/44/79/73/1094447973.db2.gz SCQDCFSCQDGFFV-CYBMUJFWSA-N 0 0 312.329 3.249 20 10 DGCDRN C[C@H](COCC1CCCCC1)NC(=O)NCc1ccc(N)cc1 ZINC001120559967 1094455537 /nfs/dbraw/zinc/45/55/37/1094455537.db2.gz AJDGTRRNCCIJEE-CQSZACIVSA-N 0 0 319.449 3.053 20 10 DGCDRN Nc1ccc(CNC(=O)NCCC[C@H]2CC2(Cl)Cl)cc1 ZINC001120641118 1094479021 /nfs/dbraw/zinc/47/90/21/1094479021.db2.gz YYLXUQZTRAKUOW-NSHDSACASA-N 0 0 316.232 3.042 20 10 DGCDRN N[C@@H](c1nnc(-c2ccc(-n3cccc3)cc2)o1)C(F)(F)F ZINC001217728853 1094486373 /nfs/dbraw/zinc/48/63/73/1094486373.db2.gz QSRLKISGYWYMTD-NSHDSACASA-N 0 0 308.263 3.089 20 10 DGCDRN Cc1cc(F)cc(NCc2ccc(N3CCC(O)CC3)cc2)n1 ZINC001120863380 1094542871 /nfs/dbraw/zinc/54/28/71/1094542871.db2.gz VDCDZOQGLVCQMW-UHFFFAOYSA-N 0 0 315.392 3.102 20 10 DGCDRN Cc1cc(CNC(=O)c2cc(F)c[nH]2)c(C)n1-c1ccccc1 ZINC001170858118 1094718900 /nfs/dbraw/zinc/71/89/00/1094718900.db2.gz NJGXXHOWSCPTNP-UHFFFAOYSA-N 0 0 311.360 3.491 20 10 DGCDRN COC(=O)c1cnc(N[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC001336747606 1094719985 /nfs/dbraw/zinc/71/99/85/1094719985.db2.gz LIWDHIQQJAACPG-SNVBAGLBSA-N 0 0 305.403 3.169 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1CCCC(C)(C)C1 ZINC001121762448 1094767208 /nfs/dbraw/zinc/76/72/08/1094767208.db2.gz DBHFZGOZKJUVHX-UHFFFAOYSA-N 0 0 306.435 3.359 20 10 DGCDRN CSC1(CNC(=O)NCc2ccccc2O)CCCCC1 ZINC001337068312 1094841074 /nfs/dbraw/zinc/84/10/74/1094841074.db2.gz FXRHLXNUZZFMGK-UHFFFAOYSA-N 0 0 308.447 3.257 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C12CCC(CC1)CC2 ZINC001337166915 1094881058 /nfs/dbraw/zinc/88/10/58/1094881058.db2.gz PBTASCPKKTXJNV-WHENESEISA-N 0 0 303.402 3.115 20 10 DGCDRN CC(=O)c1cc(NC(=O)NCc2c(O)cccc2F)ccc1C ZINC001219279802 1094957557 /nfs/dbraw/zinc/95/75/57/1094957557.db2.gz BETFDEBPYLVLHG-UHFFFAOYSA-N 0 0 316.332 3.364 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cccc(C)c2O)cc1 ZINC001136300257 1094978692 /nfs/dbraw/zinc/97/86/92/1094978692.db2.gz KETGRDYATCUXAQ-UHFFFAOYSA-N 0 0 312.413 3.477 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)c1 ZINC001337652715 1095050471 /nfs/dbraw/zinc/05/04/71/1095050471.db2.gz ZKKVRKLVTHANGP-SPTHLVQHSA-N 0 0 318.417 3.053 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)COC(C)(C)CC)cc1F ZINC001136730214 1095140101 /nfs/dbraw/zinc/14/01/01/1095140101.db2.gz GTDQGCPWFJZTGG-UHFFFAOYSA-N 0 0 324.440 3.493 20 10 DGCDRN Cc1cc(C)c2c(c1)CCN(C(=O)c1c(F)ccc(O)c1O)C2 ZINC001649153181 1095185389 /nfs/dbraw/zinc/18/53/89/1095185389.db2.gz BZXBLCBFQNSRGH-UHFFFAOYSA-N 0 0 315.344 3.052 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC[C@H]2CCC[C@@H]2C2CC2)cc1 ZINC001221011764 1095186173 /nfs/dbraw/zinc/18/61/73/1095186173.db2.gz WPUXNCVAQQNCET-SJLPKXTDSA-N 0 0 315.461 3.378 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH+]1CCC(c2ccccn2)CC1 ZINC001338236933 1095233219 /nfs/dbraw/zinc/23/32/19/1095233219.db2.gz ZYCUIWQROVPTLA-UHFFFAOYSA-N 0 0 304.340 3.445 20 10 DGCDRN Cc1cc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc(C)n1 ZINC001338319705 1095263389 /nfs/dbraw/zinc/26/33/89/1095263389.db2.gz KTPKOPVMUFPTCQ-CQSZACIVSA-N 0 0 312.417 3.069 20 10 DGCDRN CC[C@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)[C@H]1C ZINC001221545868 1095298197 /nfs/dbraw/zinc/29/81/97/1095298197.db2.gz XVMZYWLBVXYEOE-JSGCOSHPSA-N 0 0 307.413 3.222 20 10 DGCDRN Cn1c(C2SC=CC2=O)nnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC001338750739 1095379105 /nfs/dbraw/zinc/37/91/05/1095379105.db2.gz NXEJUKWYDZYWGJ-QWRGUYRKSA-N 0 0 304.419 3.018 20 10 DGCDRN C[C@H](NC(=O)/C=C\c1nccs1)c1ccc(N(C)C)cc1 ZINC001123737361 1095415585 /nfs/dbraw/zinc/41/55/85/1095415585.db2.gz AYDWFVLRJAZCRK-LAUAKBEESA-N 0 0 301.415 3.100 20 10 DGCDRN Cc1ncsc1/C=C/C(=O)N(C)c1cccc2c1CCCN2 ZINC001338984626 1095457804 /nfs/dbraw/zinc/45/78/04/1095457804.db2.gz WSBLAJVHUQUHLL-CMDGGOBGSA-N 0 0 313.426 3.486 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)OC2CCCCC2)c1 ZINC001339096032 1095495319 /nfs/dbraw/zinc/49/53/19/1095495319.db2.gz XFILQBFMDWOOBT-STQMWFEESA-N 0 0 321.417 3.316 20 10 DGCDRN O=c1[nH]c(C=Cc2ccc(N3CCCC3)cc2)nc2cnccc12 ZINC001116327446 1095516927 /nfs/dbraw/zinc/51/69/27/1095516927.db2.gz STQYSSFUBRWXNO-VMPITWQZSA-N 0 0 318.380 3.089 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@H](O)CC(C)C ZINC001144181336 1095546426 /nfs/dbraw/zinc/54/64/26/1095546426.db2.gz YKGMFVHSTFBDNZ-RHSMWYFYSA-N 0 0 319.445 3.156 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222345584 1095565026 /nfs/dbraw/zinc/56/50/26/1095565026.db2.gz LUGFXHVSUORIEK-HNNXBMFYSA-N 0 0 315.244 3.417 20 10 DGCDRN C[C@@H]([NH2+]CCc1ccc(N(C)C)cc1)c1ccc(F)cc1[O-] ZINC001116584527 1095608835 /nfs/dbraw/zinc/60/88/35/1095608835.db2.gz HMOQJMNUVXJAQL-CYBMUJFWSA-N 0 0 302.393 3.491 20 10 DGCDRN Oc1ccc(Br)cc1CNc1ccc2[nH]cnc2n1 ZINC001171168484 1095623552 /nfs/dbraw/zinc/62/35/52/1095623552.db2.gz SHHPXQUUJFQNPJ-UHFFFAOYSA-N 0 0 319.162 3.038 20 10 DGCDRN C[C@@H]1c2ccccc2CN1c1nnc(C2SC=CC2=O)n1C ZINC001339459433 1095629586 /nfs/dbraw/zinc/62/95/86/1095629586.db2.gz XHJUJKVPOPQCLQ-SNVBAGLBSA-N 0 0 312.398 3.330 20 10 DGCDRN Oc1ccc(Br)cc1CNc1cc2nc[nH]c2cn1 ZINC001171174137 1095639511 /nfs/dbraw/zinc/63/95/11/1095639511.db2.gz JOBUUUUIDDQSCV-UHFFFAOYSA-N 0 0 319.162 3.038 20 10 DGCDRN Cc1cc(CNC(=O)N[C@@H](C)c2ccccc2O)ccc1F ZINC001222514515 1095648385 /nfs/dbraw/zinc/64/83/85/1095648385.db2.gz ODXZSYPWSIPDOP-LBPRGKRZSA-N 0 0 302.349 3.400 20 10 DGCDRN CN(Cc1ccccc1O)c1nnc([C@H]2C[C@@H]2C(C)(C)C)n1C ZINC001339571733 1095661480 /nfs/dbraw/zinc/66/14/80/1095661480.db2.gz PKORYGTUOCNCSF-KBPBESRZSA-N 0 0 314.433 3.307 20 10 DGCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C1CC(=O)C1 ZINC001137816319 1095751481 /nfs/dbraw/zinc/75/14/81/1095751481.db2.gz GBXLRNVJDLCCES-CQSZACIVSA-N 0 0 323.392 3.461 20 10 DGCDRN Cc1cc(C)c(C(=O)NCc2cc(Br)ccc2O)[nH]1 ZINC001117269452 1095753649 /nfs/dbraw/zinc/75/36/49/1095753649.db2.gz NWDUAVZOWWVKHA-UHFFFAOYSA-N 0 0 323.190 3.030 20 10 DGCDRN CCOC(=O)CCC1CC[NH+](Cc2c([O-])cccc2F)CC1 ZINC001137837846 1095759121 /nfs/dbraw/zinc/75/91/21/1095759121.db2.gz WZMAUJZANVKFDZ-UHFFFAOYSA-N 0 0 309.381 3.087 20 10 DGCDRN CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1Cc1c([O-])cccc1F ZINC001137837774 1095759398 /nfs/dbraw/zinc/75/93/98/1095759398.db2.gz UOKPNZZOPBEDBP-LBPRGKRZSA-N 0 0 324.396 3.020 20 10 DGCDRN Cc1ccc(NC(=O)NCc2ccc(O)cc2O)cc1Cl ZINC001202811797 1095766912 /nfs/dbraw/zinc/76/69/12/1095766912.db2.gz UTFHFOXORQLXSV-UHFFFAOYSA-N 0 0 306.749 3.381 20 10 DGCDRN Cc1cc(CN2CCC(=O)[C@@H](F)C2)c(C)n1-c1ccccc1 ZINC001137859447 1095770326 /nfs/dbraw/zinc/77/03/26/1095770326.db2.gz YYTHSOVTHFTWIN-KRWDZBQOSA-N 0 0 300.377 3.207 20 10 DGCDRN O=C1COc2c(NCc3ccc(N4CCCC4)cc3)cccc2N1 ZINC001117631012 1095787010 /nfs/dbraw/zinc/78/70/10/1095787010.db2.gz ITBCINIPBQUFCX-UHFFFAOYSA-N 0 0 323.396 3.230 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CCC[C@@](C)(F)C2)c([N+](=O)[O-])c1 ZINC001117757343 1095838523 /nfs/dbraw/zinc/83/85/23/1095838523.db2.gz SPKNSVLSPPXQCT-GMNBZTITSA-N 0 0 322.336 3.109 20 10 DGCDRN COC(=O)COc1ccc(N(C)Cc2cccn2C2CC2)cc1 ZINC001117784997 1095855865 /nfs/dbraw/zinc/85/58/65/1095855865.db2.gz UWOCDBKTMPKHTJ-UHFFFAOYSA-N 0 0 314.385 3.011 20 10 DGCDRN Cc1cccc(O[C@@H]2CCC[N@H+](Cc3cccc(F)c3[O-])C2)n1 ZINC001138130777 1095900468 /nfs/dbraw/zinc/90/04/68/1095900468.db2.gz HVKBQDJSIAEWKI-OAHLLOKOSA-N 0 0 316.376 3.278 20 10 DGCDRN CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1[O-] ZINC001138129719 1095900575 /nfs/dbraw/zinc/90/05/75/1095900575.db2.gz SJIBUDNNLWRIRT-ZDUSSCGKSA-N 0 0 309.381 3.228 20 10 DGCDRN CCOC(=O)[C@@H]1C[C@H]1CN(CC(C)C)c1ccc(OC)cc1 ZINC001171276150 1096019627 /nfs/dbraw/zinc/01/96/27/1096019627.db2.gz HRYRNKPXZGBWEF-WMLDXEAASA-N 0 0 305.418 3.357 20 10 DGCDRN Cc1ccc(CNC(=O)NCc2c(O)cccc2F)c(C)c1 ZINC001224022077 1096117818 /nfs/dbraw/zinc/11/78/18/1096117818.db2.gz IFMORHYPJMNMQP-UHFFFAOYSA-N 0 0 302.349 3.148 20 10 DGCDRN Cc1scc(C(=O)N2CCCc3cc(O)c(O)cc3C2)c1C ZINC001147524130 1096241029 /nfs/dbraw/zinc/24/10/29/1096241029.db2.gz DXHATPJRBHFTPO-UHFFFAOYSA-N 0 0 317.410 3.365 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CCOc3c(F)cccc32)c1 ZINC001147962509 1096297349 /nfs/dbraw/zinc/29/73/49/1096297349.db2.gz WXNRRLPTRBAPGO-AWEZNQCLSA-N 0 0 315.344 3.022 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccnc(-c3ccco3)c2)c1 ZINC001147962490 1096297567 /nfs/dbraw/zinc/29/75/67/1096297567.db2.gz VRTKHZAKUFKOGF-UHFFFAOYSA-N 0 0 308.337 3.286 20 10 DGCDRN CCc1ccccc1C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001148409642 1096366477 /nfs/dbraw/zinc/36/64/77/1096366477.db2.gz CXJXIKRQOBMIBY-UHFFFAOYSA-N 0 0 311.381 3.249 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CC[C@@H]2C(C)(C)C)cc1F ZINC001225303355 1096389437 /nfs/dbraw/zinc/38/94/37/1096389437.db2.gz LMRUIHWWIKOYSZ-OAHLLOKOSA-N 0 0 307.413 3.222 20 10 DGCDRN CCOC(=O)c1ccnnc1NCc1cc2ccccc2cc1O ZINC001171399758 1096659861 /nfs/dbraw/zinc/65/98/61/1096659861.db2.gz KULFKJYLOOSWCG-UHFFFAOYSA-N 0 0 323.352 3.124 20 10 DGCDRN CC(C)n1ncc(NCc2cc3ccccc3cc2O)cc1=O ZINC001171407159 1096678182 /nfs/dbraw/zinc/67/81/82/1096678182.db2.gz LROPKDAMCYWZSW-UHFFFAOYSA-N 0 0 309.369 3.295 20 10 DGCDRN CCOC(=O)c1ccnc(NCc2cc3ccccc3cc2O)n1 ZINC001171407616 1096690535 /nfs/dbraw/zinc/69/05/35/1096690535.db2.gz QMHPWVLBSOGVGQ-UHFFFAOYSA-N 0 0 323.352 3.124 20 10 DGCDRN Oc1ccc(C[NH2+][C@H]2CCc3cc(F)c(F)cc3C2)c(O)c1 ZINC001171458225 1096889520 /nfs/dbraw/zinc/88/95/20/1096889520.db2.gz JJDPSULWBORRAO-ZDUSSCGKSA-N 0 0 305.324 3.023 20 10 DGCDRN O=C1c2ccccc2C(=O)c2c1ccc(O)c2OC1CCCC1 ZINC001227580402 1096954318 /nfs/dbraw/zinc/95/43/18/1096954318.db2.gz OUVNYSURTBJMTN-UHFFFAOYSA-N 0 0 308.333 3.489 20 10 DGCDRN CC(C)(C)OC(=O)C1CCC([NH2+]Cc2ccc(O)cc2O)CC1 ZINC001171911944 1096999924 /nfs/dbraw/zinc/99/99/24/1096999924.db2.gz DWFDSZHSSPCNQS-UHFFFAOYSA-N 0 0 321.417 3.088 20 10 DGCDRN CCOC(=O)C1(C)CCC([N@H+](C)Cc2ccccc2O)CC1 ZINC001171956715 1097004742 /nfs/dbraw/zinc/00/47/42/1097004742.db2.gz LWSJKMFMZRGFDX-UHFFFAOYSA-N 0 0 305.418 3.336 20 10 DGCDRN CN(C)c1ccc(O[C@H]2C=CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001227938858 1097016905 /nfs/dbraw/zinc/01/69/05/1097016905.db2.gz GLUUESMXMQWQAN-INIZCTEOSA-N 0 0 318.417 3.307 20 10 DGCDRN C[C@H](Oc1ccc(N(C)C)cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001227939377 1097017166 /nfs/dbraw/zinc/01/71/66/1097017166.db2.gz UUPWWTIIPJMCJU-ZDUSSCGKSA-N 0 0 320.433 3.387 20 10 DGCDRN C[C@H]1C[C@@H](Oc2cccc3c2C(=O)c2ccccc2C3=O)CCO1 ZINC001228080261 1097047492 /nfs/dbraw/zinc/04/74/92/1097047492.db2.gz SEZJYBVVOQYIPP-STQMWFEESA-N 0 0 322.360 3.408 20 10 DGCDRN CC(=O)N1CCN(c2ccc(O[C@H]3CCCC[C@H]3F)cc2)CC1 ZINC001228200987 1097073083 /nfs/dbraw/zinc/07/30/83/1097073083.db2.gz KAODGCOMVPNVJV-MSOLQXFVSA-N 0 0 320.408 3.015 20 10 DGCDRN Cc1ccc([C@@H](C)CNC(=O)NCc2c(O)cccc2F)cc1 ZINC001228282000 1097088229 /nfs/dbraw/zinc/08/82/29/1097088229.db2.gz RIBAPZGWRFEFKT-ZDUSSCGKSA-N 0 0 316.376 3.443 20 10 DGCDRN CC[C@@H]1C[C@H]1CNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001228292569 1097091273 /nfs/dbraw/zinc/09/12/73/1097091273.db2.gz NOJSMCAFHASGHR-UXLLHSPISA-N 0 0 317.477 3.337 20 10 DGCDRN O=C1CCc2ccc(-c3noc(-c4nnsc4C4CC4)n3)cc21 ZINC001212679566 1097227297 /nfs/dbraw/zinc/22/72/97/1097227297.db2.gz JWVSITSVJVIFRK-UHFFFAOYSA-N 0 0 324.365 3.261 20 10 DGCDRN O=C(NCc1c(O)cccc1F)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC001229184406 1097272845 /nfs/dbraw/zinc/27/28/45/1097272845.db2.gz FDNCLHRUOCISCY-IUODEOHRSA-N 0 0 306.381 3.299 20 10 DGCDRN NC(=O)c1cccc(N(c2ccc(N)cc2)c2ccc(N)cc2)c1 ZINC001174061269 1097586224 /nfs/dbraw/zinc/58/62/24/1097586224.db2.gz CMPVPARQEKROPL-UHFFFAOYSA-N 0 0 318.380 3.420 20 10 DGCDRN COc1ncccc1Nc1ccccc1C(=O)c1ccncc1 ZINC001174043952 1097599078 /nfs/dbraw/zinc/59/90/78/1097599078.db2.gz RCYHEJXUWQJTHQ-UHFFFAOYSA-N 0 0 305.337 3.460 20 10 DGCDRN Cc1c(Nc2ccc(C(=O)Oc3ccc(N)cc3)cc2)cnn1C ZINC001174391677 1097688102 /nfs/dbraw/zinc/68/81/02/1097688102.db2.gz HHHWJAQSKILGBM-UHFFFAOYSA-N 0 0 322.368 3.274 20 10 DGCDRN C[C@H]1OCC[C@H]1COc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001231265338 1097708021 /nfs/dbraw/zinc/70/80/21/1097708021.db2.gz CKKVMKIPBPWPPR-OLZOCXBDSA-N 0 0 322.360 3.266 20 10 DGCDRN C[C@H](Oc1cc(O)ccc1C(=O)c1ccc(O)c(O)c1)C1CC1 ZINC001231342846 1097725631 /nfs/dbraw/zinc/72/56/31/1097725631.db2.gz YMKNMDUOFMZBFN-JTQLQIEISA-N 0 0 314.337 3.212 20 10 DGCDRN CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(C(=O)[O-])cc1O ZINC001231454180 1097753998 /nfs/dbraw/zinc/75/39/98/1097753998.db2.gz OTTMZAAJKBSYPX-UHFFFAOYSA-N 0 0 315.369 3.121 20 10 DGCDRN COCCn1cc(Nc2ccc(Cc3ccc(N)cc3)cc2)cn1 ZINC001174552616 1097775513 /nfs/dbraw/zinc/77/55/13/1097775513.db2.gz RPWVWAWBVVPROV-UHFFFAOYSA-N 0 0 322.412 3.446 20 10 DGCDRN O=C([O-])c1ccc(O)c(C[N@@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC001231564624 1097780999 /nfs/dbraw/zinc/78/09/99/1097780999.db2.gz USTMRLZABDNTSN-INIZCTEOSA-N 0 0 312.369 3.213 20 10 DGCDRN Cc1cccc(CN2Cc3cc(Br)cnc3C2)c1O ZINC001231593463 1097787478 /nfs/dbraw/zinc/78/74/78/1097787478.db2.gz HBUNPANHLQIOTC-UHFFFAOYSA-N 0 0 319.202 3.374 20 10 DGCDRN Cc1cc(CN2C[C@@H](C)O[C@](C)(C(F)F)C2)ccc1N(C)C ZINC001174723528 1097819902 /nfs/dbraw/zinc/81/99/02/1097819902.db2.gz CLXUGLLFUMVKGF-DYVFJYSZSA-N 0 0 312.404 3.306 20 10 DGCDRN Cc1cc(C)c(CN2CC[C@H](N3CCCC3)C(F)(F)C2)c(O)c1 ZINC001231847732 1097862523 /nfs/dbraw/zinc/86/25/23/1097862523.db2.gz CMWQAZIJLLQOHT-KRWDZBQOSA-N 0 0 324.415 3.314 20 10 DGCDRN Cc1cc(C)c(CN(Cc2cocn2)Cc2cocn2)c(O)c1 ZINC001231849173 1097864289 /nfs/dbraw/zinc/86/42/89/1097864289.db2.gz PIXMFAMMXIUBFA-UHFFFAOYSA-N 0 0 313.357 3.187 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001231912578 1097889808 /nfs/dbraw/zinc/88/98/08/1097889808.db2.gz PDJLJARLMZYMAJ-CYBMUJFWSA-N 0 0 303.736 3.046 20 10 DGCDRN Cc1ccc2c(n1)N(C)CC[N@H+](Cc1cccc(Cl)c1[O-])C2 ZINC001231910507 1097890352 /nfs/dbraw/zinc/89/03/52/1097890352.db2.gz RXKSBXYMGOKIAA-UHFFFAOYSA-N 0 0 317.820 3.201 20 10 DGCDRN CCc1noc([C@@H]2CCC[N@H+](Cc3cccc(Cl)c3[O-])C2)n1 ZINC001231912705 1097890469 /nfs/dbraw/zinc/89/04/69/1097890469.db2.gz SWCVAZPBTAXBJU-GFCCVEGCSA-N 0 0 321.808 3.371 20 10 DGCDRN [O-]c1c(Cl)cccc1CN1CC[C@@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001231913927 1097891825 /nfs/dbraw/zinc/89/18/25/1097891825.db2.gz UNSBRXREVJLWNC-LSDHHAIUSA-N 0 0 312.816 3.054 20 10 DGCDRN Cc1ccc2c(CC(=O)N3Cc4cccc(O)c4C3)c[nH]c2c1 ZINC001175029551 1097924182 /nfs/dbraw/zinc/92/41/82/1097924182.db2.gz HQEAPZNHACUVEK-UHFFFAOYSA-N 0 0 306.365 3.267 20 10 DGCDRN CCOc1ccc(F)c(N(CCO)c2ccc(N)cc2)c1F ZINC001175037723 1097925906 /nfs/dbraw/zinc/92/59/06/1097925906.db2.gz KZCCIDMXTURXTL-UHFFFAOYSA-N 0 0 308.328 3.076 20 10 DGCDRN CCN(Cc1ccccc1O)Cc1c(Cl)nccc1OC ZINC001232154055 1097953147 /nfs/dbraw/zinc/95/31/47/1097953147.db2.gz FSZYIWWEBBZZJI-UHFFFAOYSA-N 0 0 306.793 3.471 20 10 DGCDRN Oc1cccc2c1CN(Cc1ncccc1Br)CC2 ZINC001232165834 1097954857 /nfs/dbraw/zinc/95/48/57/1097954857.db2.gz MRDSVPYNTXGASE-UHFFFAOYSA-N 0 0 319.202 3.108 20 10 DGCDRN F[C@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232199177 1097963468 /nfs/dbraw/zinc/96/34/68/1097963468.db2.gz DVWIXXDEMZCBDB-DZKIICNBSA-N 0 0 324.827 3.109 20 10 DGCDRN Oc1cccc2c1CCN(Cc1cc(Cl)c(O)cc1O)C2 ZINC001232261013 1097984521 /nfs/dbraw/zinc/98/45/21/1097984521.db2.gz UZGXAVCMXMSHDX-UHFFFAOYSA-N 0 0 305.761 3.015 20 10 DGCDRN Oc1cc(O)c(CN2CC(Oc3ccccc3F)C2)cc1Cl ZINC001232262569 1097984616 /nfs/dbraw/zinc/98/46/16/1097984616.db2.gz KFNDLQAUEUCDRP-UHFFFAOYSA-N 0 0 323.751 3.154 20 10 DGCDRN COc1cc(O)c(CN2CC[C@H](CF)C(F)(F)C2)cc1Cl ZINC001232267029 1097986113 /nfs/dbraw/zinc/98/61/13/1097986113.db2.gz VGNXNIDJGKPTCM-SNVBAGLBSA-N 0 0 323.742 3.481 20 10 DGCDRN COc1cc(O)c(CN2CCC[C@H]2c2ncccn2)cc1Cl ZINC001232271513 1097988241 /nfs/dbraw/zinc/98/82/41/1097988241.db2.gz VNQKANSVHJNJGU-ZDUSSCGKSA-N 0 0 319.792 3.181 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1nc3ccccc3o1)CCC2 ZINC001232558964 1098077800 /nfs/dbraw/zinc/07/78/00/1098077800.db2.gz DZIJAUXHHACXBD-UHFFFAOYSA-N 0 0 310.353 3.187 20 10 DGCDRN CS(=O)(=O)N(/C=C/c1ccc(Cl)cc1)c1ccc(N)cc1 ZINC001175598977 1098093924 /nfs/dbraw/zinc/09/39/24/1098093924.db2.gz HCEYULTXSYDBAK-ZHACJKMWSA-N 0 0 322.817 3.359 20 10 DGCDRN CN(C)c1ccc(CN2CCc3nc(Cl)ccc3C2)c(O)c1 ZINC001232840007 1098150429 /nfs/dbraw/zinc/15/04/29/1098150429.db2.gz ZVJUQWUEOWDVSD-UHFFFAOYSA-N 0 0 317.820 3.065 20 10 DGCDRN Oc1cc(CN2CCc3c(Cl)cccc3C2)cc(O)c1O ZINC001233017449 1098203804 /nfs/dbraw/zinc/20/38/04/1098203804.db2.gz WCFCEXKHERBBGA-UHFFFAOYSA-N 0 0 305.761 3.015 20 10 DGCDRN Oc1cc(CN2CCC[C@@H]2c2cccc(F)c2)cc(O)c1O ZINC001233014022 1098204082 /nfs/dbraw/zinc/20/40/82/1098204082.db2.gz WTLZJJHTDCIIOP-CQSZACIVSA-N 0 0 303.333 3.280 20 10 DGCDRN Cc1cccc(O[C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3[O-])C2)n1 ZINC001233079948 1098220591 /nfs/dbraw/zinc/22/05/91/1098220591.db2.gz OFGTUWMTBWGAQD-CYBMUJFWSA-N 0 0 320.339 3.027 20 10 DGCDRN CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(F)c(F)c1[O-] ZINC001233079504 1098220624 /nfs/dbraw/zinc/22/06/24/1098220624.db2.gz DXOKNYWNMJDRFD-UHFFFAOYSA-N 0 0 321.323 3.421 20 10 DGCDRN CC(C)(C)c1ccc(O)c(CN2C[C@H](CO)CC(F)(F)C2)c1 ZINC001233284220 1098274455 /nfs/dbraw/zinc/27/44/55/1098274455.db2.gz MMKQCXNYKPIZHN-GFCCVEGCSA-N 0 0 313.388 3.139 20 10 DGCDRN Oc1ccc(F)c(F)c1CN1CCc2ncc(Cl)cc2C1 ZINC001233335793 1098291386 /nfs/dbraw/zinc/29/13/86/1098291386.db2.gz LWCISGZXAOXCML-UHFFFAOYSA-N 0 0 310.731 3.277 20 10 DGCDRN [O-]c1ccc(F)c(F)c1C[NH+]1CCC(Oc2ccncc2)CC1 ZINC001233332621 1098291420 /nfs/dbraw/zinc/29/14/20/1098291420.db2.gz RKRBKBSVGHLVEC-UHFFFAOYSA-N 0 0 320.339 3.109 20 10 DGCDRN Oc1ccc(F)c(F)c1CN1CC(Oc2ccc(F)cc2)C1 ZINC001233334962 1098291557 /nfs/dbraw/zinc/29/15/57/1098291557.db2.gz BHUNKOKMACMWII-UHFFFAOYSA-N 0 0 309.287 3.073 20 10 DGCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001233334567 1098293173 /nfs/dbraw/zinc/29/31/73/1098293173.db2.gz LYCJCACPLODIKT-ZDUSSCGKSA-N 0 0 323.314 3.463 20 10 DGCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC001233336357 1098293898 /nfs/dbraw/zinc/29/38/98/1098293898.db2.gz JBNSUNZSJIQZJW-ZDUSSCGKSA-N 0 0 323.314 3.463 20 10 DGCDRN COc1cc(F)c(CN2CCc3cccc(O)c3C2)cc1F ZINC001233344040 1098296012 /nfs/dbraw/zinc/29/60/12/1098296012.db2.gz LFCBXDOBHLLEJN-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN C[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CCC[C@@H]1O ZINC001233415638 1098321992 /nfs/dbraw/zinc/32/19/92/1098321992.db2.gz DFYIHGYFCYTHGJ-GWCFXTLKSA-N 0 0 303.324 3.004 20 10 DGCDRN C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233416163 1098323492 /nfs/dbraw/zinc/32/34/92/1098323492.db2.gz YHRYCXGUPVRNOZ-QWRGUYRKSA-N 0 0 303.324 3.004 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cccc1C(F)(F)F ZINC001233416180 1098323840 /nfs/dbraw/zinc/32/38/40/1098323840.db2.gz YRKRLRIGGUKWOE-RISCZKNCSA-N 0 0 315.335 3.412 20 10 DGCDRN CCC1(O)CC[NH+](Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233418856 1098324985 /nfs/dbraw/zinc/32/49/85/1098324985.db2.gz YWNBEWXNPFCKQB-UHFFFAOYSA-N 0 0 303.324 3.148 20 10 DGCDRN CCCO[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233417986 1098324999 /nfs/dbraw/zinc/32/49/99/1098324999.db2.gz PDBHSQRPZHJOCN-GFCCVEGCSA-N 0 0 303.324 3.412 20 10 DGCDRN Oc1c(CN2CCc3ncccc3C2)cccc1C(F)(F)F ZINC001233418407 1098325766 /nfs/dbraw/zinc/32/57/66/1098325766.db2.gz GCMKSSBOMFQETF-UHFFFAOYSA-N 0 0 308.303 3.364 20 10 DGCDRN Oc1c(CN2CCOC[C@H]2C2CC2)cccc1C(F)(F)F ZINC001233419484 1098325886 /nfs/dbraw/zinc/32/58/86/1098325886.db2.gz ZMOIEQLJDVEFQB-ZDUSSCGKSA-N 0 0 301.308 3.022 20 10 DGCDRN Oc1cc(C(F)(F)F)ccc1CN1CC2(C1)CC(F)(F)CO2 ZINC001233455089 1098340339 /nfs/dbraw/zinc/34/03/39/1098340339.db2.gz VSYWLCYSNLCGKN-UHFFFAOYSA-N 0 0 323.261 3.021 20 10 DGCDRN Oc1cc(O)c(CN2CCC[C@H]2c2c(F)cccc2F)cc1O ZINC001233487022 1098346730 /nfs/dbraw/zinc/34/67/30/1098346730.db2.gz LYBYMEJOYYJGRA-ZDUSSCGKSA-N 0 0 321.323 3.419 20 10 DGCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@H]1CCOC(C)(C)C1 ZINC001233496376 1098351337 /nfs/dbraw/zinc/35/13/37/1098351337.db2.gz FUFLFRIMUNRKJC-NSHDSACASA-N 0 0 308.374 3.417 20 10 DGCDRN Cc1cc(CC(=O)N(C)c2ccon2)c(C)n1-c1ccccc1 ZINC001277787710 1098361954 /nfs/dbraw/zinc/36/19/54/1098361954.db2.gz FJWCQNJNQAUZDC-UHFFFAOYSA-N 0 0 309.369 3.288 20 10 DGCDRN Cc1cccc2c1CC[C@@H]2Oc1nc[nH]c2cc(=O)c(O)cc1-2 ZINC001233949477 1098464499 /nfs/dbraw/zinc/46/44/99/1098464499.db2.gz IQIBLIUNDTZLQY-KRWDZBQOSA-N 0 0 308.337 3.416 20 10 DGCDRN C[C@H](Oc1nc[nH]c2cc(=O)c(O)cc1-2)c1ccc(F)c(F)c1 ZINC001233949133 1098464823 /nfs/dbraw/zinc/46/48/23/1098464823.db2.gz XHTBAWSMKRMCLJ-QMMMGPOBSA-N 0 0 318.279 3.459 20 10 DGCDRN CCON(C)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001234326478 1098537668 /nfs/dbraw/zinc/53/76/68/1098537668.db2.gz JZQPWCZGCKUIKZ-UHFFFAOYSA-N 0 0 315.417 3.495 20 10 DGCDRN CO[C@@H](C)CCOc1cc(N2CCCCC2)ccc1[N+](=O)[O-] ZINC001234369638 1098544020 /nfs/dbraw/zinc/54/40/20/1098544020.db2.gz WLKIYUXXAOGZSX-ZDUSSCGKSA-N 0 0 308.378 3.389 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1O[C@H](C)COCc1ccccc1 ZINC001234474963 1098564491 /nfs/dbraw/zinc/56/44/91/1098564491.db2.gz AYCZCSHIKNTULF-GFCCVEGCSA-N 0 0 316.353 3.285 20 10 DGCDRN CN(C(=O)/C=C/c1ccc(Cl)nc1)c1nc(Cl)ccc1N ZINC001177895738 1098640627 /nfs/dbraw/zinc/64/06/27/1098640627.db2.gz GFNLWPZFAGMUOS-XVNBXDOJSA-N 0 0 323.183 3.042 20 10 DGCDRN CC[C@@H](NCc1ccc(N2CCCC2)cc1)c1noc(C)n1 ZINC001177967357 1098656053 /nfs/dbraw/zinc/65/60/53/1098656053.db2.gz FDZJRUNRHUCVJM-MRXNPFEDSA-N 0 0 300.406 3.219 20 10 DGCDRN O=C1C[C@H](c2cccc(NCc3c(O)cccc3Cl)c2)CN1 ZINC001178249376 1098754569 /nfs/dbraw/zinc/75/45/69/1098754569.db2.gz OHGBMMHSQBVGEN-LBPRGKRZSA-N 0 0 316.788 3.261 20 10 DGCDRN O=C(CCc1cncc(C(F)(F)F)c1)NCc1ccccc1O ZINC001178461111 1098838269 /nfs/dbraw/zinc/83/82/69/1098838269.db2.gz CPQZVRRWXOMTIU-UHFFFAOYSA-N 0 0 324.302 3.055 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@H]1CC[C@@H](C)O1 ZINC001178846722 1098951546 /nfs/dbraw/zinc/95/15/46/1098951546.db2.gz JNCNJKKAYKCCED-MRRJBJDNSA-N 0 0 317.429 3.316 20 10 DGCDRN Cc1ccc(C[NH2+]Cc2cc(C)cc(Br)c2[O-])nc1 ZINC001179028434 1099004127 /nfs/dbraw/zinc/00/41/27/1099004127.db2.gz ROIDIXPPRHYVOB-UHFFFAOYSA-N 0 0 321.218 3.456 20 10 DGCDRN CN(CC(=O)NCc1c(O)ccc2ccccc21)c1ccccc1 ZINC001179028784 1099004584 /nfs/dbraw/zinc/00/45/84/1099004584.db2.gz CYOLRVYZNICYTD-UHFFFAOYSA-N 0 0 320.392 3.298 20 10 DGCDRN CC(C)(C)c1ccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)c(O)c1 ZINC001235677713 1099120336 /nfs/dbraw/zinc/12/03/36/1099120336.db2.gz GMDJSLURVKVODV-INIZCTEOSA-N 0 0 314.433 3.118 20 10 DGCDRN C[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CCC1(F)F ZINC001179682886 1099176652 /nfs/dbraw/zinc/17/66/52/1099176652.db2.gz BRWWAWIBDHORDN-TZNOJPMFSA-N 0 0 311.328 3.005 20 10 DGCDRN CN(C)c1ccc(C=CC(=O)Nc2n[nH]c3c2CCCC3)cc1 ZINC001180124279 1099321566 /nfs/dbraw/zinc/32/15/66/1099321566.db2.gz ZPXDNUOCJRRDLS-FMIVXFBMSA-N 0 0 310.401 3.006 20 10 DGCDRN Nc1cccc2c1CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])C2 ZINC001236365741 1099556453 /nfs/dbraw/zinc/55/64/53/1099556453.db2.gz UWFFBSIKMMNDIR-UHFFFAOYSA-N 0 0 306.768 3.325 20 10 DGCDRN C[C@H](NC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1O ZINC001187881015 1099633034 /nfs/dbraw/zinc/63/30/34/1099633034.db2.gz GREFMDSOMLXKFY-JTQLQIEISA-N 0 0 300.314 3.004 20 10 DGCDRN Oc1cncc(-c2ncnc3c2ccn3Cc2ccccc2)c1 ZINC001236574288 1099684548 /nfs/dbraw/zinc/68/45/48/1099684548.db2.gz QLMXRFFFNYBUEF-UHFFFAOYSA-N 0 0 302.337 3.247 20 10 DGCDRN Oc1cccc2c1C[N@H+](Cc1cc(F)cc3c1OCCC3)CC2 ZINC001236629101 1099712921 /nfs/dbraw/zinc/71/29/21/1099712921.db2.gz HMUQCFVHDSTOFY-UHFFFAOYSA-N 0 0 313.372 3.415 20 10 DGCDRN COc1cc(O)c(CN(C)Cc2cccc(F)c2F)cc1OC ZINC001236754249 1099772043 /nfs/dbraw/zinc/77/20/43/1099772043.db2.gz SMULXWSZDBJFPQ-UHFFFAOYSA-N 0 0 323.339 3.320 20 10 DGCDRN COc1ccc(NC(=O)Nc2cccc(O)c2O)cc1Cl ZINC001188472635 1099773558 /nfs/dbraw/zinc/77/35/58/1099773558.db2.gz JPHIANFAEHYEKS-UHFFFAOYSA-N 0 0 308.721 3.404 20 10 DGCDRN COc1ccc(NC(=O)NCc2ccc(O)c(O)c2)cc1Cl ZINC001188492547 1099778509 /nfs/dbraw/zinc/77/85/09/1099778509.db2.gz YDBFTLUOXVBDOD-UHFFFAOYSA-N 0 0 322.748 3.082 20 10 DGCDRN CCc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(O)c1 ZINC001236782555 1099781179 /nfs/dbraw/zinc/78/11/79/1099781179.db2.gz CLDIKUWEAXLBSX-UHFFFAOYSA-N 0 0 320.433 3.007 20 10 DGCDRN CCc1ccc(C[N@@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)c(O)c1 ZINC001236785193 1099783899 /nfs/dbraw/zinc/78/38/99/1099783899.db2.gz GVZIOPUGQPWSIE-SJORKVTESA-N 0 0 322.408 3.122 20 10 DGCDRN [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1CCC[C@]12CCOC2 ZINC001236799495 1099794492 /nfs/dbraw/zinc/79/44/92/1099794492.db2.gz OYAHVAWWTKQHOV-CQSZACIVSA-N 0 0 302.201 3.454 20 10 DGCDRN COc1ccc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)c([O-])c1Cl ZINC001236801385 1099795902 /nfs/dbraw/zinc/79/59/02/1099795902.db2.gz IICHUNVCTYOTGF-RISCZKNCSA-N 0 0 311.809 3.055 20 10 DGCDRN COc1ccc(C[N@@H+]2CC(C)(C)C[C@@]2(C)CO)c([O-])c1Cl ZINC001236804197 1099796142 /nfs/dbraw/zinc/79/61/42/1099796142.db2.gz XIANEPIXKAYTBK-INIZCTEOSA-N 0 0 313.825 3.037 20 10 DGCDRN COc1ccc(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)c([O-])c1Cl ZINC001236801386 1099796198 /nfs/dbraw/zinc/79/61/98/1099796198.db2.gz IICHUNVCTYOTGF-SMDDNHRTSA-N 0 0 311.809 3.055 20 10 DGCDRN COc1cc(O)c(CN2CCC[C@H]2c2nc(C)no2)c(Cl)c1 ZINC001236803960 1099797511 /nfs/dbraw/zinc/79/75/11/1099797511.db2.gz RJUUNRLMNFGJAR-ZDUSSCGKSA-N 0 0 323.780 3.083 20 10 DGCDRN COc1cc(C)c(CN2CC[C@@H](CF)C(F)(F)C2)c(O)c1 ZINC001236809610 1099800354 /nfs/dbraw/zinc/80/03/54/1099800354.db2.gz YLAKKTLPNQDZPE-NSHDSACASA-N 0 0 303.324 3.136 20 10 DGCDRN COc1ccc(C[N@H+](C)CCc2cccnc2)c([O-])c1Cl ZINC001236812502 1099803950 /nfs/dbraw/zinc/80/39/50/1099803950.db2.gz YBFIZXJAXXMYHD-UHFFFAOYSA-N 0 0 306.793 3.124 20 10 DGCDRN COc1ccc(CN2CCC[C@@H]2c2ncccn2)c([O-])c1Cl ZINC001236819168 1099805229 /nfs/dbraw/zinc/80/52/29/1099805229.db2.gz VDPPZYYFAVQZNP-GFCCVEGCSA-N 0 0 319.792 3.181 20 10 DGCDRN OC[C@H]1CCC(F)(F)CN1Cc1cc2ccccc2cc1O ZINC001236826748 1099811658 /nfs/dbraw/zinc/81/16/58/1099811658.db2.gz MEIZTGQDBQAPKS-OAHLLOKOSA-N 0 0 307.340 3.137 20 10 DGCDRN C[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236920170 1099876742 /nfs/dbraw/zinc/87/67/42/1099876742.db2.gz RZMDRSUPVLPZCN-CQSZACIVSA-N 0 0 308.853 3.409 20 10 DGCDRN CC(C)(C)c1ccc(C[N@@H+]2CCN[C@H](C(F)(F)F)C2)c(O)c1 ZINC001236994642 1099914095 /nfs/dbraw/zinc/91/40/95/1099914095.db2.gz FFABXRWWFLYTNB-AWEZNQCLSA-N 0 0 316.367 3.026 20 10 DGCDRN CCOc1ccc(C[N@H+](C)CCC(=O)c2ccccc2)c(O)c1 ZINC001237044678 1099940998 /nfs/dbraw/zinc/94/09/98/1099940998.db2.gz RTIWAWHUNCOFOT-UHFFFAOYSA-N 0 0 313.397 3.496 20 10 DGCDRN CCOc1ccc(C[N@H+](C)C[C@H]2Cc3ccccc3O2)c(O)c1 ZINC001237046850 1099942944 /nfs/dbraw/zinc/94/29/44/1099942944.db2.gz HBHFTERYTREYGO-QGZVFWFLSA-N 0 0 313.397 3.226 20 10 DGCDRN CC(C)c1ccc(CN2CCOC[C@@H]2c2cccnc2)c(O)c1 ZINC001237056154 1099947441 /nfs/dbraw/zinc/94/74/41/1099947441.db2.gz UMRRUOIGXOFECK-GOSISDBHSA-N 0 0 312.413 3.484 20 10 DGCDRN CC(C)c1ccc(CN2CCN(C3CCCC3)C(=O)C2)c(O)c1 ZINC001237054471 1099947872 /nfs/dbraw/zinc/94/78/72/1099947872.db2.gz YZZIEPVPBZHMRG-UHFFFAOYSA-N 0 0 316.445 3.102 20 10 DGCDRN COc1cc(O)c(CN2CCC[C@@H](F)C2)c(Br)c1 ZINC001237058602 1099949588 /nfs/dbraw/zinc/94/95/88/1099949588.db2.gz HDPNBYMSQQNLMO-SECBINFHSA-N 0 0 318.186 3.097 20 10 DGCDRN COc1cc(O)c(CN2CCC[C@H](F)C2)c(Br)c1 ZINC001237058603 1099951086 /nfs/dbraw/zinc/95/10/86/1099951086.db2.gz HDPNBYMSQQNLMO-VIFPVBQESA-N 0 0 318.186 3.097 20 10 DGCDRN [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC001237078384 1099959308 /nfs/dbraw/zinc/95/93/08/1099959308.db2.gz RBZRZFPQVSSEHW-CQSZACIVSA-N 0 0 302.201 3.311 20 10 DGCDRN C[C@@]1(O)CCC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237077718 1099959715 /nfs/dbraw/zinc/95/97/15/1099959715.db2.gz JTXPMZSUVSOPIQ-CQSZACIVSA-N 0 0 304.217 3.436 20 10 DGCDRN OCC[C@@H]1CC12CC[NH+](Cc1c(O)ccc(F)c1Cl)CC2 ZINC001237124347 1099984198 /nfs/dbraw/zinc/98/41/98/1099984198.db2.gz OODDTUKKTYSPPA-LLVKDONJSA-N 0 0 313.800 3.169 20 10 DGCDRN C[C@@H]1CCN(Cc2cc(C(F)(F)F)ccc2O)CCC1=O ZINC001237138808 1099990118 /nfs/dbraw/zinc/99/01/18/1099990118.db2.gz ZAPKXTJEIVTHFQ-SNVBAGLBSA-N 0 0 301.308 3.212 20 10 DGCDRN O=S(=O)(Nc1ccc(O)cc1)c1ccc(F)c2ccccc21 ZINC001189349541 1100043267 /nfs/dbraw/zinc/04/32/67/1100043267.db2.gz XXDNWIMLFLOGSF-UHFFFAOYSA-N 0 0 317.341 3.485 20 10 DGCDRN COC(=O)c1cnc(SCc2ncc(Cl)s2)s1 ZINC001189407635 1100049581 /nfs/dbraw/zinc/04/95/81/1100049581.db2.gz GHRQHGGDNLJMHJ-UHFFFAOYSA-N 0 0 306.821 3.332 20 10 DGCDRN Cc1cccc(O)c1C[N@@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC001237489375 1100141588 /nfs/dbraw/zinc/14/15/88/1100141588.db2.gz GNVNOUVBTHKYLO-AWEZNQCLSA-N 0 0 305.418 3.254 20 10 DGCDRN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c1O ZINC001237681708 1100212699 /nfs/dbraw/zinc/21/26/99/1100212699.db2.gz PWJIRCHSMQTQRX-CYBMUJFWSA-N 0 0 323.742 3.101 20 10 DGCDRN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@]3(CCC(=O)O3)C2)c1O ZINC001237687452 1100214664 /nfs/dbraw/zinc/21/46/64/1100214664.db2.gz BQHFBQDJTPWUPM-INIZCTEOSA-N 0 0 309.793 3.026 20 10 DGCDRN [O-]c1c(Cl)cc(F)cc1CN1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001237801569 1100252121 /nfs/dbraw/zinc/25/21/21/1100252121.db2.gz VHCQVFJVZOBBSS-UHFFFAOYSA-N 0 0 324.827 3.102 20 10 DGCDRN [O-]c1c(Cl)cc(F)cc1C[NH+]1CCC2(C[C@@H](F)CO2)CC1 ZINC001237806389 1100254193 /nfs/dbraw/zinc/25/41/93/1100254193.db2.gz VEMORZXLCBYYHC-GFCCVEGCSA-N 0 0 317.763 3.278 20 10 DGCDRN [O-]c1c(Cl)cc(F)cc1CN1CC[NH+](C2CCCC2)CC1 ZINC001237814988 1100256280 /nfs/dbraw/zinc/25/62/80/1100256280.db2.gz ULGKQVKBRNDHCE-UHFFFAOYSA-N 0 0 312.816 3.245 20 10 DGCDRN [O-]c1cc(Cl)c(F)cc1C[NH+]1CCC(c2ncccn2)CC1 ZINC001237937163 1100297318 /nfs/dbraw/zinc/29/73/18/1100297318.db2.gz OEJVAOVLJNNYQF-UHFFFAOYSA-N 0 0 321.783 3.354 20 10 DGCDRN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CC[C@H](Oc2ccccn2)C1 ZINC001237941480 1100299779 /nfs/dbraw/zinc/29/97/79/1100299779.db2.gz WYIDXFUOUZIXSZ-LBPRGKRZSA-N 0 0 322.767 3.233 20 10 DGCDRN Cc1cc(CN2CCCc3cc(O)c(O)cc3C2)ncc1Cl ZINC001238424754 1100439915 /nfs/dbraw/zinc/43/99/15/1100439915.db2.gz AOPWOKJAPHALDC-UHFFFAOYSA-N 0 0 318.804 3.403 20 10 DGCDRN CC(C)Cn1ccc(-c2cc(OC(C)C)cnc2F)cc1=O ZINC001238908272 1100555077 /nfs/dbraw/zinc/55/50/77/1100555077.db2.gz ZHVPOXMRKHUMQB-UHFFFAOYSA-N 0 0 304.365 3.493 20 10 DGCDRN CCOC(=O)Cn1ccc2c1ncnc2-c1ccn(C(C)C)c1 ZINC001239066518 1100585165 /nfs/dbraw/zinc/58/51/65/1100585165.db2.gz RFEIXMPTRQSEHG-UHFFFAOYSA-N 0 0 312.373 3.044 20 10 DGCDRN COc1ccc2c(c1)CCCCN2CC(=O)NCCC(C)(C)C ZINC001192316278 1100602210 /nfs/dbraw/zinc/60/22/10/1100602210.db2.gz XSYJJVRLYVMUNP-UHFFFAOYSA-N 0 0 318.461 3.390 20 10 DGCDRN COc1cc(C(=O)N[C@@H]2C[C@@H](C)CC(C)(C)C2)cc(OC)n1 ZINC001192422097 1100614678 /nfs/dbraw/zinc/61/46/78/1100614678.db2.gz CFPBUVBAYMIJRH-DGCLKSJQSA-N 0 0 306.406 3.043 20 10 DGCDRN Cc1cc(C(=O)NCc2c(C)cc(C)cc2O)n(C(C)(C)C)n1 ZINC001192729992 1100654682 /nfs/dbraw/zinc/65/46/82/1100654682.db2.gz NUNZSUOAQHQJAC-UHFFFAOYSA-N 0 0 315.417 3.199 20 10 DGCDRN COc1cc(C(=O)Nc2ccc3cc(C)[nH]c3c2)cc(O)c1O ZINC001193103984 1100706133 /nfs/dbraw/zinc/70/61/33/1100706133.db2.gz DQPCHIMBGQAUFA-UHFFFAOYSA-N 0 0 312.325 3.148 20 10 DGCDRN CN(C)c1ccc(-c2nc(C(=O)N3CCCCO3)cs2)cc1 ZINC001193161012 1100713883 /nfs/dbraw/zinc/71/38/83/1100713883.db2.gz ITJSLHXMFHJVCU-UHFFFAOYSA-N 0 0 317.414 3.044 20 10 DGCDRN CN(C)c1ccc(-c2nc(C(=O)N3CCCC3)cs2)cc1 ZINC001193162062 1100714185 /nfs/dbraw/zinc/71/41/85/1100714185.db2.gz TYIMWPYFCQHHTD-UHFFFAOYSA-N 0 0 301.415 3.112 20 10 DGCDRN Cc1cc(NC(=O)c2ccc(O)c(O)c2Cl)c2cc[nH]c2n1 ZINC001193219973 1100718582 /nfs/dbraw/zinc/71/85/82/1100718582.db2.gz OIWPICLNZNLUIH-UHFFFAOYSA-N 0 0 317.732 3.140 20 10 DGCDRN CC(=O)c1c(F)cccc1NC(=O)c1ccc(O)c(O)c1Cl ZINC001193229004 1100722590 /nfs/dbraw/zinc/72/25/90/1100722590.db2.gz CERMBKNHPPEVRJ-UHFFFAOYSA-N 0 0 323.707 3.345 20 10 DGCDRN COc1ccc(-c2ccn(Cc3ccc(F)cc3)c(=O)c2)cn1 ZINC001239728338 1100735937 /nfs/dbraw/zinc/73/59/37/1100735937.db2.gz YUQYTSCZCJNSFR-UHFFFAOYSA-N 0 0 310.328 3.106 20 10 DGCDRN CC(=O)Nc1ccccc1-c1ccn(CC(F)(F)F)c(=O)c1 ZINC001239781831 1100755512 /nfs/dbraw/zinc/75/55/12/1100755512.db2.gz ICXVXTPDIFTTJV-UHFFFAOYSA-N 0 0 310.275 3.036 20 10 DGCDRN O=C(OC1CCCCC1)N1CCCc2cc(O)c(O)cc2C1 ZINC001193625299 1100774360 /nfs/dbraw/zinc/77/43/60/1100774360.db2.gz XGAAKKLYHOBUDV-UHFFFAOYSA-N 0 0 305.374 3.315 20 10 DGCDRN COc1ncccc1-c1ccn(Cc2ccccc2F)c(=O)c1 ZINC001239860837 1100779382 /nfs/dbraw/zinc/77/93/82/1100779382.db2.gz UXYDUYVXVFWPRA-UHFFFAOYSA-N 0 0 310.328 3.106 20 10 DGCDRN CCOC(=O)c1cn2cc(-c3ccc4ccn(C)c4c3)ncc2n1 ZINC001240574732 1101055772 /nfs/dbraw/zinc/05/57/72/1101055772.db2.gz ZYEMJUWEQKPNFW-UHFFFAOYSA-N 0 0 320.352 3.065 20 10 DGCDRN Cn1ccc2ccc(-c3cnc(OC4CCOCC4)cn3)cc21 ZINC001240575880 1101057333 /nfs/dbraw/zinc/05/73/33/1101057333.db2.gz HVVMBLOPROTVPM-UHFFFAOYSA-N 0 0 309.369 3.193 20 10 DGCDRN COC(=O)c1nc2[nH]ccc2cc1-c1ccc2ccn(C)c2c1 ZINC001240577616 1101057717 /nfs/dbraw/zinc/05/77/17/1101057717.db2.gz YICXDZKHLMXVRE-UHFFFAOYSA-N 0 0 305.337 3.460 20 10 DGCDRN CCN(c1ccccc1)c1cc(-c2cnn(CCOC)c2)ncn1 ZINC001240626747 1101076549 /nfs/dbraw/zinc/07/65/49/1101076549.db2.gz IXBLPFGBFAENBO-UHFFFAOYSA-N 0 0 323.400 3.145 20 10 DGCDRN CCc1nnc(CN2C[C@@H](C(C)C)Cc3cc(OC)ccc32)[nH]1 ZINC001195321851 1101113162 /nfs/dbraw/zinc/11/31/62/1101113162.db2.gz BDSZHLNUARSLEJ-AWEZNQCLSA-N 0 0 314.433 3.211 20 10 DGCDRN CC(C)Oc1ccc(-c2ccn(CC(F)(F)F)c(=O)c2)cn1 ZINC001240810471 1101145661 /nfs/dbraw/zinc/14/56/61/1101145661.db2.gz ZPXCPDMBUOPGSN-UHFFFAOYSA-N 0 0 312.291 3.260 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2csc(NC(C)C)n2)c(O)c1 ZINC001195690151 1101174782 /nfs/dbraw/zinc/17/47/82/1101174782.db2.gz KDCZZIKMCSMHRQ-UHFFFAOYSA-N 0 0 319.430 3.216 20 10 DGCDRN Cc1c[nH]c2ncc(-c3ccn(Cc4cccnc4)c(=O)c3)cc12 ZINC001240963588 1101199436 /nfs/dbraw/zinc/19/94/36/1101199436.db2.gz UGKNMTCOYJIVNU-UHFFFAOYSA-N 0 0 316.364 3.143 20 10 DGCDRN Cc1nc(OCc2ccccc2)ccc1-c1ccn(C)c(=O)c1 ZINC001240985310 1101210450 /nfs/dbraw/zinc/21/04/50/1101210450.db2.gz AKKNOQQIJRJARW-UHFFFAOYSA-N 0 0 306.365 3.335 20 10 DGCDRN Cn1c(=O)cnc2ccc(-c3cccnc3OC(C)(C)C)cc21 ZINC001241144457 1101273735 /nfs/dbraw/zinc/27/37/35/1101273735.db2.gz RLNLHSANQCPESB-UHFFFAOYSA-N 0 0 309.369 3.173 20 10 DGCDRN O=C1COc2cccc(C3=CCN(c4ccccc4)CC3)c2N1 ZINC001241354611 1101398438 /nfs/dbraw/zinc/39/84/38/1101398438.db2.gz MSIOOSWPIKOLPU-UHFFFAOYSA-N 0 0 306.365 3.311 20 10 DGCDRN O=c1cc(-c2cnn(C3CCC3)c2)ccn1Cc1ccccc1 ZINC001241724647 1101662494 /nfs/dbraw/zinc/66/24/94/1101662494.db2.gz IGIILRSMEDFLFF-UHFFFAOYSA-N 0 0 305.381 3.485 20 10 DGCDRN COc1cc(C)c(-c2ccn(Cc3ccccc3F)c(=O)c2)cn1 ZINC001241772562 1101697789 /nfs/dbraw/zinc/69/77/89/1101697789.db2.gz MOIAKCQYMZVPKU-UHFFFAOYSA-N 0 0 324.355 3.415 20 10 DGCDRN CCOC(=O)c1cn2c(cncc2-c2cccc3c2ccn3C)n1 ZINC001241822301 1101728225 /nfs/dbraw/zinc/72/82/25/1101728225.db2.gz JFRGXJOLUGQOHC-UHFFFAOYSA-N 0 0 320.352 3.065 20 10 DGCDRN C[C@@H]1CC[C@@H](C[NH3+])N(Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001205845108 1101935705 /nfs/dbraw/zinc/93/57/05/1101935705.db2.gz ZGACASNWYDAUDT-KOLCDFICSA-N 0 0 303.233 3.258 20 10 DGCDRN Cc1cc2cc[nH]c2c(C(=O)N2CCc3cccc(O)c3C2)c1 ZINC001198696948 1101949281 /nfs/dbraw/zinc/94/92/81/1101949281.db2.gz GHJVOLWFHMYFBS-UHFFFAOYSA-N 0 0 306.365 3.380 20 10 DGCDRN C[C@H]1CC[C@H](C[NH3+])N(Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001205851778 1101966128 /nfs/dbraw/zinc/96/61/28/1101966128.db2.gz BORFVSWLCXRIJX-VHSXEESVSA-N 0 0 303.233 3.258 20 10 DGCDRN COc1ncc(-c2ccn(Cc3ccc(F)cc3)c(=O)c2)cc1C ZINC001242432476 1102130651 /nfs/dbraw/zinc/13/06/51/1102130651.db2.gz HEJOFBDMSGRLBN-UHFFFAOYSA-N 0 0 324.355 3.415 20 10 DGCDRN CC(C)n1cc(-c2ccn(Cc3ccc(F)cc3)c(=O)c2)cn1 ZINC001242437534 1102132502 /nfs/dbraw/zinc/13/25/02/1102132502.db2.gz RWMDKQRETHECQK-UHFFFAOYSA-N 0 0 311.360 3.480 20 10 DGCDRN CC(C)c1ccc(C(=O)NCc2ccccc2O)c(Cl)n1 ZINC001199702841 1102186752 /nfs/dbraw/zinc/18/67/52/1102186752.db2.gz JFLAAYJAGOUVSE-UHFFFAOYSA-N 0 0 304.777 3.494 20 10 DGCDRN CCOc1cncc(-c2ccn(Cc3cccc(F)c3)c(=O)c2)c1 ZINC001242659229 1102269291 /nfs/dbraw/zinc/26/92/91/1102269291.db2.gz GNTAHBUUSBXCNT-UHFFFAOYSA-N 0 0 324.355 3.496 20 10 DGCDRN S=C(NCc1cccc2ccnn21)Nc1ccccc1Cl ZINC001200867032 1102427606 /nfs/dbraw/zinc/42/76/06/1102427606.db2.gz XDOCAIZJYPSEGW-UHFFFAOYSA-N 0 0 316.817 3.474 20 10 DGCDRN COC(=O)c1cncc(-c2ccc(-n3c(C)ccc3C)nc2)c1 ZINC001243148827 1102555011 /nfs/dbraw/zinc/55/50/11/1102555011.db2.gz SFDYRTCEKRNAAP-UHFFFAOYSA-N 0 0 307.353 3.338 20 10 DGCDRN CCOC(=O)c1cc2c(cc(C)nc2-c2cnc(C)s2)n1C ZINC001243377644 1102693287 /nfs/dbraw/zinc/69/32/87/1102693287.db2.gz LNDSFXOLLNKYLA-UHFFFAOYSA-N 0 0 315.398 3.490 20 10 DGCDRN Nc1ncccc1-c1ncnc2c1ccn2Cc1ccccc1 ZINC001243470110 1102741254 /nfs/dbraw/zinc/74/12/54/1102741254.db2.gz IABOUSWACZZQAZ-UHFFFAOYSA-N 0 0 301.353 3.124 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCc1ccc2[nH]ccc2c1 ZINC001202127180 1102844548 /nfs/dbraw/zinc/84/45/48/1102844548.db2.gz PFMSNMSWPLHXOC-UHFFFAOYSA-N 0 0 302.324 3.484 20 10 DGCDRN Nc1ncc(-c2nccc3c2ccn3Cc2ccccc2)cn1 ZINC001243867271 1103019325 /nfs/dbraw/zinc/01/93/25/1103019325.db2.gz NPBHUCDFZXXAPC-UHFFFAOYSA-N 0 0 301.353 3.124 20 10 DGCDRN Cc1ncc(C(F)(F)F)cc1-c1ccc2ncc(=O)n(C)c2c1 ZINC001244261741 1103319216 /nfs/dbraw/zinc/31/92/16/1103319216.db2.gz XDOJNWUUMWXGIG-UHFFFAOYSA-N 0 0 319.286 3.323 20 10 DGCDRN O=c1cc(-c2cnccc2C2CC2)ccn1Cc1ccncc1 ZINC001244284261 1103331917 /nfs/dbraw/zinc/33/19/17/1103331917.db2.gz GNAKJJRWRBXSNE-UHFFFAOYSA-N 0 0 303.365 3.231 20 10 DGCDRN O=c1cc(-c2ccc(CC(F)(F)F)nc2)ccn1CC1CC1 ZINC001244297202 1103342251 /nfs/dbraw/zinc/34/22/51/1103342251.db2.gz XRGJFOJXDISLPL-UHFFFAOYSA-N 0 0 308.303 3.425 20 10 DGCDRN CCc1ccc(F)cc1C(=O)NCc1cccc(OC)c1O ZINC001545684145 1103344973 /nfs/dbraw/zinc/34/49/73/1103344973.db2.gz LQSPDZHLPKUPNB-UHFFFAOYSA-N 0 0 303.333 3.032 20 10 DGCDRN COc1ccc(N(Cc2cn(C(C)C)nn2)CC2CC2)cc1 ZINC001326516076 1103349290 /nfs/dbraw/zinc/34/92/90/1103349290.db2.gz HESOHDVXHAVHDN-UHFFFAOYSA-N 0 0 300.406 3.284 20 10 DGCDRN O=C(COc1ccccc1F)Nc1c2nonc2ccc1Cl ZINC001326698964 1103411133 /nfs/dbraw/zinc/41/11/33/1103411133.db2.gz SMOWXUBFSUGGRQ-UHFFFAOYSA-N 0 0 321.695 3.033 20 10 DGCDRN COc1ccc(N(c2ccc(N)cc2)c2cnc(N)nc2)cc1 ZINC001212965601 1103452516 /nfs/dbraw/zinc/45/25/16/1103452516.db2.gz WBNCRVGOPYCXAA-UHFFFAOYSA-N 0 0 307.357 3.119 20 10 DGCDRN CC(C)(C)n1ccc(C(=O)Nc2c3nonc3ccc2Cl)n1 ZINC001327064615 1103508850 /nfs/dbraw/zinc/50/88/50/1103508850.db2.gz AJLHIPUTHVNEBC-UHFFFAOYSA-N 0 0 319.752 3.080 20 10 DGCDRN C[C@@H]1CC[C@@H](CCC(=O)Nc2c3nonc3ccc2Cl)O1 ZINC001327168113 1103564003 /nfs/dbraw/zinc/56/40/03/1103564003.db2.gz XWBPZWUOKYRDAV-BDAKNGLRSA-N 0 0 309.753 3.162 20 10 DGCDRN O=C1NCCc2c(NCc3ccc(N4CCCC4)cc3)cccc21 ZINC001327395025 1103635228 /nfs/dbraw/zinc/63/52/28/1103635228.db2.gz PKWCBZGRTCHXGB-UHFFFAOYSA-N 0 0 321.424 3.185 20 10 DGCDRN C[C@@H](NC(=O)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1ccc(N(C)C)cc1 ZINC001327534757 1103675685 /nfs/dbraw/zinc/67/56/85/1103675685.db2.gz GJOPRZNOHPPCJM-WAZAZEMKSA-N 0 0 323.387 3.157 20 10 DGCDRN CCCOc1ccc(-c2ccn(CC(F)(F)F)c(=O)c2)cn1 ZINC001245232096 1103922533 /nfs/dbraw/zinc/92/25/33/1103922533.db2.gz WXVSCNMBZOPFAO-UHFFFAOYSA-N 0 0 312.291 3.261 20 10 DGCDRN C[C@@H](NC(=S)NCCc1ccccc1)c1ccccc1O ZINC001245343961 1103995066 /nfs/dbraw/zinc/99/50/66/1103995066.db2.gz UZOOLJQTSGKZCS-CYBMUJFWSA-N 0 0 300.427 3.160 20 10 DGCDRN COc1cc2c(c(OC)c1)N(Cc1cc(Cl)n(C)n1)CCC2 ZINC001328868576 1104092164 /nfs/dbraw/zinc/09/21/64/1104092164.db2.gz YZHHCRFBMFWDMA-UHFFFAOYSA-N 0 0 321.808 3.044 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCC[C@@H](F)C1 ZINC001329235455 1104196170 /nfs/dbraw/zinc/19/61/70/1104196170.db2.gz FNLVNMCUKLKRCL-CVEARBPZSA-N 0 0 319.424 3.367 20 10 DGCDRN CCOCc1cc(C[NH2+][C@@H](CC=C(C)C)C(=O)[O-])ccc1OC ZINC001329310826 1104217830 /nfs/dbraw/zinc/21/78/30/1104217830.db2.gz PXQIUCLAZROIBM-INIZCTEOSA-N 0 0 321.417 3.131 20 10 DGCDRN COc1nc(OC)c(-c2nccc3c2ccn3C)cc1SC ZINC001245782157 1104234766 /nfs/dbraw/zinc/23/47/66/1104234766.db2.gz PVAZOFIAMMGPMZ-UHFFFAOYSA-N 0 0 315.398 3.374 20 10 DGCDRN COc1cc(NCc2cc(C)ccc2O)c([N+](=O)[O-])cc1OC ZINC001329758015 1104381181 /nfs/dbraw/zinc/38/11/81/1104381181.db2.gz BPHJFFUWBBBLQS-UHFFFAOYSA-N 0 0 318.329 3.238 20 10 DGCDRN CC[C@H](C)N1C[C@@]2(CC1=O)CCCCN2c1ccc(OC)cc1 ZINC001274790860 1104490098 /nfs/dbraw/zinc/49/00/98/1104490098.db2.gz MIOXXLIZCMSXEP-KXBFYZLASA-N 0 0 316.445 3.455 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H]2C[C@@H](O)C2)c1 ZINC001330209517 1104508651 /nfs/dbraw/zinc/50/86/51/1104508651.db2.gz YSMQNFFPIZEFKV-XBXGTLAGSA-N 0 0 318.804 3.001 20 10 DGCDRN CN(C(=O)/C=C\c1cnn(C)c1)c1ccc(-c2nccs2)cc1 ZINC001275306949 1104716334 /nfs/dbraw/zinc/71/63/34/1104716334.db2.gz WPVGMQVVQTYTTQ-BAQGIRSFSA-N 0 0 324.409 3.220 20 10 DGCDRN Fc1ccnc(CNC(=S)Nc2c(F)cc(F)cc2F)c1 ZINC001247450877 1104905557 /nfs/dbraw/zinc/90/55/57/1104905557.db2.gz BIEFCNFVLVWCRV-UHFFFAOYSA-N 0 0 315.295 3.125 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1c(Cl)cccc1Cl ZINC001455355612 1105005647 /nfs/dbraw/zinc/00/56/47/1105005647.db2.gz DRBTVZZEEGXQDR-UHFFFAOYSA-N 0 0 312.152 3.335 20 10 DGCDRN COc1cc(C)cc(-c2noc(Cc3ccc(O)c(O)c3)n2)c1 ZINC001247958896 1105021353 /nfs/dbraw/zinc/02/13/53/1105021353.db2.gz IALTTYQUOOMSHH-UHFFFAOYSA-N 0 0 312.325 3.056 20 10 DGCDRN COc1cccc(-c2noc(/C=C/c3ccc(N(C)C)cc3)n2)n1 ZINC001248038573 1105037131 /nfs/dbraw/zinc/03/71/31/1105037131.db2.gz AUQQLSOOKVMYOH-FMIVXFBMSA-N 0 0 322.368 3.377 20 10 DGCDRN Nc1ccc(Cc2nc(-c3cccc4c3CCC4=O)no2)cc1 ZINC001248184187 1105062563 /nfs/dbraw/zinc/06/25/63/1105062563.db2.gz PZUOPMGAYWZFST-UHFFFAOYSA-N 0 0 305.337 3.039 20 10 DGCDRN COc1c(F)cc(F)cc1-c1noc(Cc2ccc(N)cc2)n1 ZINC001248184127 1105062831 /nfs/dbraw/zinc/06/28/31/1105062831.db2.gz NVXJFOSTQPSWTI-UHFFFAOYSA-N 0 0 317.295 3.196 20 10 DGCDRN Nc1ccc(Cc2nc(-c3cc(F)c(F)c(F)c3F)no2)cc1 ZINC001248185305 1105062919 /nfs/dbraw/zinc/06/29/19/1105062919.db2.gz CRBBUPNDHZOMJP-UHFFFAOYSA-N 0 0 323.249 3.466 20 10 DGCDRN Cc1c2cccc(-c3noc(Cc4ccc(N)cc4)n3)c2nn1C ZINC001248183045 1105062955 /nfs/dbraw/zinc/06/29/55/1105062955.db2.gz BVAFHBBPRSZPQM-UHFFFAOYSA-N 0 0 319.368 3.105 20 10 DGCDRN COc1ccc(C)cc1NC(=S)NCc1cc(F)ccn1 ZINC001249681349 1105353006 /nfs/dbraw/zinc/35/30/06/1105353006.db2.gz JEUSEURVCXWKTE-UHFFFAOYSA-N 0 0 305.378 3.024 20 10 DGCDRN Cc1ccc2[nH]c(N(c3ccc(N)cc3)S(C)(=O)=O)cc2c1 ZINC001249846676 1105391786 /nfs/dbraw/zinc/39/17/86/1105391786.db2.gz XBAGAXGOSVODGI-UHFFFAOYSA-N 0 0 315.398 3.156 20 10 DGCDRN Cc1cc(CN(C)CC(F)(F)F)c(O)cc1Br ZINC001250120480 1105445673 /nfs/dbraw/zinc/44/56/73/1105445673.db2.gz FNYYLKMWZWRHCO-UHFFFAOYSA-N 0 0 312.129 3.457 20 10 DGCDRN Cc1cccc2nc(CN(C)Cc3ccc(N(C)C)cc3)cn21 ZINC001137302469 1105474191 /nfs/dbraw/zinc/47/41/91/1105474191.db2.gz GXUYBQQGBOWOHI-UHFFFAOYSA-N 0 0 308.429 3.341 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1nccc2cccnc21 ZINC001137346859 1105493499 /nfs/dbraw/zinc/49/34/99/1105493499.db2.gz ODWRNHXBUIMGKQ-UHFFFAOYSA-N 0 0 321.380 3.388 20 10 DGCDRN COc1cc(Cl)cc2[nH]c(-c3cc(O)c(O)c(OC)c3)nc21 ZINC001250488576 1105523827 /nfs/dbraw/zinc/52/38/27/1105523827.db2.gz MMIISSKFQMYOOC-UHFFFAOYSA-N 0 0 320.732 3.312 20 10 DGCDRN O=C(CCCc1c(F)cccc1F)NCc1ccc(O)c(O)c1 ZINC001137443569 1105524420 /nfs/dbraw/zinc/52/44/20/1105524420.db2.gz UOOZVRFFCGMEBQ-UHFFFAOYSA-N 0 0 321.323 3.015 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccccc1C(F)F ZINC001137464985 1105526389 /nfs/dbraw/zinc/52/63/89/1105526389.db2.gz ZUCJZSZRCOYDBW-UHFFFAOYSA-N 0 0 307.296 3.008 20 10 DGCDRN CCOc1ccccc1NC[C@H](O)COc1ccc(F)cc1F ZINC001250863994 1105595717 /nfs/dbraw/zinc/59/57/17/1105595717.db2.gz AFJUFGMFZIJTTP-ZDUSSCGKSA-N 0 0 323.339 3.215 20 10 DGCDRN NC(=O)c1ccc2[nH]c(-c3ccc(-n4cccc4)cc3)nc2c1 ZINC001250999796 1105617821 /nfs/dbraw/zinc/61/78/21/1105617821.db2.gz UZEUJBUKVUNCIR-UHFFFAOYSA-N 0 0 302.337 3.120 20 10 DGCDRN CCCn1c2ccc(F)cc2nc1-c1cc(O)c(O)c(O)c1 ZINC001251248266 1105643697 /nfs/dbraw/zinc/64/36/97/1105643697.db2.gz IMDBXBBYKIMYKN-UHFFFAOYSA-N 0 0 302.305 3.369 20 10 DGCDRN CCCn1c2cc(OC)ccc2nc1-c1cc(O)c(O)cc1O ZINC001251355635 1105652543 /nfs/dbraw/zinc/65/25/43/1105652543.db2.gz YAEGDQNWBWTSGB-UHFFFAOYSA-N 0 0 314.341 3.239 20 10 DGCDRN CCCn1c2cc(F)ccc2nc1-c1cc(O)c(O)cc1O ZINC001251355418 1105652835 /nfs/dbraw/zinc/65/28/35/1105652835.db2.gz KEOPDBLCGOKOHB-UHFFFAOYSA-N 0 0 302.305 3.369 20 10 DGCDRN Cc1cccc(-c2nnc([C@@H](O)c3ccc(N(C)C)cc3)o2)c1 ZINC001253673970 1105968829 /nfs/dbraw/zinc/96/88/29/1105968829.db2.gz SHDVOKOLBBJRTP-INIZCTEOSA-N 0 0 309.369 3.193 20 10 DGCDRN Nc1ccc(CCn2cc(C3(c4ccccc4)CC3)nn2)cc1 ZINC001254081138 1106015944 /nfs/dbraw/zinc/01/59/44/1106015944.db2.gz MQWVLKRAEQDGME-UHFFFAOYSA-N 0 0 304.397 3.183 20 10 DGCDRN CN(C)c1ccc([C@H](O)c2nnc(-c3cccc(F)c3)o2)cc1 ZINC001254180048 1106030670 /nfs/dbraw/zinc/03/06/70/1106030670.db2.gz IVCJHOMHFNNTQP-HNNXBMFYSA-N 0 0 313.332 3.023 20 10 DGCDRN Oc1ccc(-c2nnc(Cc3ccc(Cl)cc3)o2)c(O)c1O ZINC001254228389 1106040421 /nfs/dbraw/zinc/04/04/21/1106040421.db2.gz HGIHQYUOSFVSCS-UHFFFAOYSA-N 0 0 318.716 3.098 20 10 DGCDRN Oc1cccc(-c2nnc(Cc3ccccc3Cl)o2)c1O ZINC001254336029 1106055859 /nfs/dbraw/zinc/05/58/59/1106055859.db2.gz QGMYUCJPGXNTCB-UHFFFAOYSA-N 0 0 302.717 3.392 20 10 DGCDRN Oc1ccc(-c2nnc(Cc3cccc(Cl)c3)o2)cc1O ZINC001254415023 1106067229 /nfs/dbraw/zinc/06/72/29/1106067229.db2.gz IQFMCYFQWRHCPP-UHFFFAOYSA-N 0 0 302.717 3.392 20 10 DGCDRN C=C/C=C/CCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC001254871974 1106151689 /nfs/dbraw/zinc/15/16/89/1106151689.db2.gz NGTYETRLGOFSGT-ONEGZZNKSA-N 0 0 300.402 3.203 20 10 DGCDRN O=C(NCC[C@@H]1C[C@H]1C1CC1)NCc1cccc(Cl)c1O ZINC001255405750 1106247160 /nfs/dbraw/zinc/24/71/60/1106247160.db2.gz WQRYBGBSOPLDTF-YPMHNXCESA-N 0 0 308.809 3.281 20 10 DGCDRN Oc1cc(-c2nnc(CCC3CCCCC3)o2)cc(O)c1O ZINC001256787916 1106483231 /nfs/dbraw/zinc/48/32/31/1106483231.db2.gz HMOBADTZKKZHSY-UHFFFAOYSA-N 0 0 304.346 3.366 20 10 DGCDRN Cc1cc(O)cc(C)c1NS(=O)(=O)c1cccc(Cl)c1 ZINC001256795663 1106484974 /nfs/dbraw/zinc/48/49/74/1106484974.db2.gz HXHSOIBEYIUUAF-UHFFFAOYSA-N 0 0 311.790 3.463 20 10 DGCDRN CC(=O)N[C@H](c1nnc(-c2ccc(-n3cccc3)cc2)o1)C(C)C ZINC001256935459 1106514017 /nfs/dbraw/zinc/51/40/17/1106514017.db2.gz LXFJYVRHGSCTFT-INIZCTEOSA-N 0 0 324.384 3.361 20 10 DGCDRN CC(C)n1cnc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)n1 ZINC001256975087 1106519300 /nfs/dbraw/zinc/51/93/00/1106519300.db2.gz PTURUBMWANHGGK-UHFFFAOYSA-N 0 0 320.356 3.367 20 10 DGCDRN Oc1cncc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)c1 ZINC001256974417 1106519307 /nfs/dbraw/zinc/51/93/07/1106519307.db2.gz AVHYYCRZVFYLLV-UHFFFAOYSA-N 0 0 304.309 3.295 20 10 DGCDRN Cc1nn(C)c(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)c1F ZINC001256988076 1106521930 /nfs/dbraw/zinc/52/19/30/1106521930.db2.gz NVOIMNPGHZDEGR-UHFFFAOYSA-N 0 0 323.331 3.375 20 10 DGCDRN Cc1ccccc1Cc1nnc([C@H](O)c2ccc(N(C)C)cc2)o1 ZINC001258429707 1106741436 /nfs/dbraw/zinc/74/14/36/1106741436.db2.gz MXNCOBWZFFTDLA-GOSISDBHSA-N 0 0 323.396 3.117 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1ccc([S@@](C)=O)cc1 ZINC001320199465 1106926474 /nfs/dbraw/zinc/92/64/74/1106926474.db2.gz GYPJNKFQLCRGJY-JOCHJYFZSA-N 0 0 315.438 3.385 20 10 DGCDRN CN(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001320640532 1107084258 /nfs/dbraw/zinc/08/42/58/1107084258.db2.gz SJSVFOCVXOSFKO-KBPBESRZSA-N 0 0 300.805 3.147 20 10 DGCDRN CCN(Cc1ccccc1O)S(=O)(=O)c1ccc(F)cc1C ZINC001259488980 1107148614 /nfs/dbraw/zinc/14/86/14/1107148614.db2.gz GQWXNVXOXFBMNP-UHFFFAOYSA-N 0 0 323.389 3.051 20 10 DGCDRN Cc1cc(C)cc(S(=O)(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001259526917 1107161718 /nfs/dbraw/zinc/16/17/18/1107161718.db2.gz NUKZIWLCTKBGQU-ZDUSSCGKSA-N 0 0 305.399 3.049 20 10 DGCDRN Cc1cc(O)cc(C)c1NS(=O)(=O)CCc1ccc(F)cc1 ZINC001259760903 1107193266 /nfs/dbraw/zinc/19/32/66/1107193266.db2.gz FTJOVRYYUANUMX-UHFFFAOYSA-N 0 0 323.389 3.133 20 10 DGCDRN Cc1c(C)c(NS(=O)(=O)CCc2ccccc2F)ccc1O ZINC001259786579 1107198930 /nfs/dbraw/zinc/19/89/30/1107198930.db2.gz CMNSWPMYZVLWEU-UHFFFAOYSA-N 0 0 323.389 3.133 20 10 DGCDRN COC(=O)[C@@H](C)N(Cc1ccc(N2CCCC2)cc1)C1CCC1 ZINC001321075984 1107242872 /nfs/dbraw/zinc/24/28/72/1107242872.db2.gz QCFVMXLQGQVTKS-OAHLLOKOSA-N 0 0 316.445 3.203 20 10 DGCDRN C[C@@H](Cc1ccccc1F)C(=O)NCc1c(O)cccc1F ZINC001303878730 1107276503 /nfs/dbraw/zinc/27/65/03/1107276503.db2.gz RPAXBYRUXHEEQR-NSHDSACASA-N 0 0 305.324 3.165 20 10 DGCDRN Cc1cc(S(=O)(=O)Nc2ccc(O)c(C)c2C)ccc1F ZINC001260760085 1107315240 /nfs/dbraw/zinc/31/52/40/1107315240.db2.gz KUVDYJGHCIVDFF-UHFFFAOYSA-N 0 0 309.362 3.257 20 10 DGCDRN Cc1noc([C@H]2CCCN2Cc2ccc(N3CCCC3)cc2)n1 ZINC001261176810 1107357134 /nfs/dbraw/zinc/35/71/34/1107357134.db2.gz DNYLYAQUTCCCII-QGZVFWFLSA-N 0 0 312.417 3.315 20 10 DGCDRN CCC(CC)(C[NH2+]Cc1ccc(N2CCCC2)cc1)C(=O)[O-] ZINC001261435564 1107432852 /nfs/dbraw/zinc/43/28/52/1107432852.db2.gz YQHVHLQOBIMJFY-UHFFFAOYSA-N 0 0 304.434 3.267 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCCC1CCOCC1 ZINC001321839155 1107445484 /nfs/dbraw/zinc/44/54/84/1107445484.db2.gz JVMCFLCFVRFPGX-UHFFFAOYSA-N 0 0 320.433 3.131 20 10 DGCDRN CO[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccc(F)cc1 ZINC001262030477 1107584377 /nfs/dbraw/zinc/58/43/77/1107584377.db2.gz LHEDETIRKLHPIB-HNNXBMFYSA-N 0 0 311.303 3.287 20 10 DGCDRN CCC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(N)cc1 ZINC001262570584 1107727290 /nfs/dbraw/zinc/72/72/90/1107727290.db2.gz ZGIAHFHAKTWLFJ-SFHVURJKSA-N 0 0 311.429 3.479 20 10 DGCDRN CC[C@@H](F)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC001262605537 1107737403 /nfs/dbraw/zinc/73/74/03/1107737403.db2.gz CXJWTAQNCQVXOS-DLBZAZTESA-N 0 0 322.424 3.008 20 10 DGCDRN CCC[C@@H]1C[C@H](C(=O)Nc2c3nonc3ccc2Cl)CCO1 ZINC001323420853 1107968959 /nfs/dbraw/zinc/96/89/59/1107968959.db2.gz ZOSXNTLMGMAIOD-NXEZZACHSA-N 0 0 323.780 3.410 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)[C@@H](C)[C@H](C)CC)CC2)cc1 ZINC001323606062 1108027316 /nfs/dbraw/zinc/02/73/16/1108027316.db2.gz VZVCXHMTRSFBHK-CVEARBPZSA-N 0 0 318.461 3.416 20 10 DGCDRN Cc1nc(C(C)(C)NCc2ccc(N3CCCC3)cc2)no1 ZINC001318630481 1108132699 /nfs/dbraw/zinc/13/26/99/1108132699.db2.gz UKVULVAGJRRMNL-UHFFFAOYSA-N 0 0 300.406 3.003 20 10 DGCDRN CC12CC(C1)CN2c1nnc(C2SC=CC2=O)n1CC1CC1 ZINC001263681394 1108155109 /nfs/dbraw/zinc/15/51/09/1108155109.db2.gz MFNTZFVZTSFFNV-UHFFFAOYSA-N 0 0 316.430 3.111 20 10 DGCDRN C[C@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@H]1CCCO1 ZINC001264286942 1108455610 /nfs/dbraw/zinc/45/56/10/1108455610.db2.gz DPJFFIMPOMDHQI-MAUKXSAKSA-N 0 0 316.445 3.060 20 10 DGCDRN Nc1ccc(CC(=O)Nc2cc(F)cc(Br)c2)cc1 ZINC000387407867 1108460307 /nfs/dbraw/zinc/46/03/07/1108460307.db2.gz RZMSBNSXAHVTJE-UHFFFAOYSA-N 0 0 323.165 3.352 20 10 DGCDRN COc1ccc(N2CCN(Cc3cc(Cl)ccn3)CC2)cc1 ZINC000387786514 1108469689 /nfs/dbraw/zinc/46/96/89/1108469689.db2.gz JUTLNOSZIXGORO-UHFFFAOYSA-N 0 0 317.820 3.066 20 10 DGCDRN COc1cc(/C=C2\SC(=S)N(C3CC3)C2=O)ccc1F ZINC001319468492 1108482838 /nfs/dbraw/zinc/48/28/38/1108482838.db2.gz YYIJLKGQDJCJIK-GHXNOFRVSA-N 0 0 309.387 3.198 20 10 DGCDRN Cc1noc(C)c1[C@@H](C)C(=O)Nc1c2nonc2ccc1Cl ZINC001324856485 1108488580 /nfs/dbraw/zinc/48/85/80/1108488580.db2.gz BVFCHQDPUWWHHJ-ZCFIWIBFSA-N 0 0 320.736 3.223 20 10 DGCDRN CN(Cc1ccccc1O)C(=S)Nc1cccc(F)c1F ZINC001319547506 1108518469 /nfs/dbraw/zinc/51/84/69/1108518469.db2.gz XBOZTAVYYSQBHI-UHFFFAOYSA-N 0 0 308.353 3.499 20 10 DGCDRN CCOC(=O)CN(Cc1ccc(N2CCCC2)cc1)CC(C)C ZINC001319810289 1108644678 /nfs/dbraw/zinc/64/46/78/1108644678.db2.gz GAJPAJPZBQXEFY-UHFFFAOYSA-N 0 0 318.461 3.308 20 10 DGCDRN CCc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1CC ZINC001319819033 1108649379 /nfs/dbraw/zinc/64/93/79/1108649379.db2.gz KYQUCSFAIXSJAP-UHFFFAOYSA-N 0 0 313.397 3.195 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C/c2cccnc2C)cc1OC ZINC001264853079 1108667586 /nfs/dbraw/zinc/66/75/86/1108667586.db2.gz RGGVJCKULWDQQC-JXMROGBWSA-N 0 0 312.369 3.083 20 10 DGCDRN CCOC[C@@H](O)CNc1ccccc1OCc1ccccc1 ZINC000390790274 1108678486 /nfs/dbraw/zinc/67/84/86/1108678486.db2.gz VZCITAKIWNVBIE-INIZCTEOSA-N 0 0 301.386 3.075 20 10 DGCDRN CC[C@@H]1CN(Cc2ccc(Br)cc2O)[C@@H](C)CO1 ZINC000701194741 1108903140 /nfs/dbraw/zinc/90/31/40/1108903140.db2.gz WJGYQVMVLJUBST-GXFFZTMASA-N 0 0 314.223 3.154 20 10 DGCDRN Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCc1nn(C)cc1Cl ZINC000393288387 1108995061 /nfs/dbraw/zinc/99/50/61/1108995061.db2.gz KFFLZXSYLAEBDO-CMPLNLGQSA-N 0 0 305.809 3.426 20 10 DGCDRN Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1nn(C)cc1Cl ZINC000393288398 1108995365 /nfs/dbraw/zinc/99/53/65/1108995365.db2.gz KFFLZXSYLAEBDO-ZYHUDNBSSA-N 0 0 305.809 3.426 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N(Cc2ccccn2)C2CC2)cc1 ZINC001290242650 1110240050 /nfs/dbraw/zinc/24/00/50/1110240050.db2.gz ZDYMNKPNWQIRGA-UHFFFAOYSA-N 0 0 323.356 3.049 20 10 DGCDRN C[C@@H]1C[C@H]1n1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1O ZINC001291038517 1110265616 /nfs/dbraw/zinc/26/56/16/1110265616.db2.gz PWUWKFFXARUOOX-IUODEOHRSA-N 0 0 323.400 3.196 20 10 DGCDRN COc1cc(C(=O)NCc2cc(C)ccc2O)ccc1Cl ZINC001301046776 1111079990 /nfs/dbraw/zinc/07/99/90/1111079990.db2.gz KNBLUXHRMBAARY-UHFFFAOYSA-N 0 0 305.761 3.293 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2c(F)ccc3ccncc32)c1 ZINC001301047221 1111079992 /nfs/dbraw/zinc/07/99/92/1111079992.db2.gz TZRJXXURDMSNSH-UHFFFAOYSA-N 0 0 310.328 3.318 20 10 DGCDRN Cc1ccn(-c2cccc(C(=O)NCc3cc(C)ccc3O)c2)n1 ZINC001301047146 1111080039 /nfs/dbraw/zinc/08/00/39/1111080039.db2.gz RXILQZSXDLMXGX-UHFFFAOYSA-N 0 0 321.380 3.125 20 10 DGCDRN C[C@H](NC(=O)c1cc(C=O)sc1Cl)c1ccccc1O ZINC001302538428 1111117819 /nfs/dbraw/zinc/11/78/19/1111117819.db2.gz QNQVFGRCFWVLKM-QMMMGPOBSA-N 0 0 309.774 3.411 20 10 DGCDRN CC[C@H](C[C@@H](C)O)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001302687761 1111121816 /nfs/dbraw/zinc/12/18/16/1111121816.db2.gz ISYPAZSIQGPRKC-NVXWUHKLSA-N 0 0 314.429 3.373 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1ccc(-c2ccco2)s1 ZINC001303225748 1111137200 /nfs/dbraw/zinc/13/72/00/1111137200.db2.gz PFCFPTGQGZSAKC-UHFFFAOYSA-N 0 0 315.350 3.349 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2[nH]c(C)nc2C)cc1 ZINC001303891606 1111156813 /nfs/dbraw/zinc/15/68/13/1111156813.db2.gz PKQPOXZUNSSCSH-UHFFFAOYSA-N 0 0 322.412 3.364 20 10 DGCDRN O=C(NCc1c(O)cccc1O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001304053126 1111163778 /nfs/dbraw/zinc/16/37/78/1111163778.db2.gz DKHFJVFEMADWKL-QWHCGFSZSA-N 0 0 317.772 3.171 20 10 DGCDRN CC[C@@H](Sc1ccccc1)C(=O)NCc1c(O)cccc1O ZINC001304053574 1111163998 /nfs/dbraw/zinc/16/39/98/1111163998.db2.gz OGXIYXRYEVGETF-MRXNPFEDSA-N 0 0 317.410 3.285 20 10 DGCDRN CCc1c[nH]c(=O)c(C(=O)NCc2c(O)ccc3ccccc32)c1 ZINC001304090355 1111165854 /nfs/dbraw/zinc/16/58/54/1111165854.db2.gz FEZOICOJFLJPAD-UHFFFAOYSA-N 0 0 322.364 3.138 20 10 DGCDRN Cc1nnc(N(C)Cc2ccccc2O)n1CC[C@H]1C[C@H](F)C1 ZINC001304794840 1111182893 /nfs/dbraw/zinc/18/28/93/1111182893.db2.gz PZISMTANDWVYQG-CTYIDZIISA-N 0 0 318.396 3.067 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)Cc1ccccc1O ZINC001306190699 1111223784 /nfs/dbraw/zinc/22/37/84/1111223784.db2.gz MRQQVHSDKROUFB-UHFFFAOYSA-N 0 0 324.424 3.194 20 10 DGCDRN CCOc1nc(NCc2ccc(N(C)C)cc2)ncc1Cl ZINC001306919175 1111250787 /nfs/dbraw/zinc/25/07/87/1111250787.db2.gz YUBICRGMJPBTSI-UHFFFAOYSA-N 0 0 306.797 3.207 20 10 DGCDRN CN(Cc1ccccc1O)c1nccc2c1cccc2[N+](=O)[O-] ZINC001307073163 1111262105 /nfs/dbraw/zinc/26/21/05/1111262105.db2.gz QROUOLHOMIUTSD-UHFFFAOYSA-N 0 0 309.325 3.485 20 10 DGCDRN COC(=O)c1cnc(Sc2nc3c(cccc3F)o2)s1 ZINC001307127862 1111268918 /nfs/dbraw/zinc/26/89/18/1111268918.db2.gz RMBNICYGSVJKFH-UHFFFAOYSA-N 0 0 310.331 3.361 20 10 DGCDRN CCN(C[C@H]1CC2(CCC2)CO1)c1ccc(OC)c(OC)c1 ZINC001307573348 1111315226 /nfs/dbraw/zinc/31/52/26/1111315226.db2.gz GTQWHPNLMZBQNX-OAHLLOKOSA-N 0 0 305.418 3.489 20 10 DGCDRN COc1cccc(O[C@H](C)C[NH2+]Cc2cc(F)cc(F)c2[O-])c1 ZINC001308285376 1111410787 /nfs/dbraw/zinc/41/07/87/1111410787.db2.gz PIURPIUQXHQZAH-LLVKDONJSA-N 0 0 323.339 3.236 20 10 DGCDRN Cc1noc2ncc(C[NH2+]Cc3cccc(Cl)c3[O-])cc12 ZINC001308548279 1111441838 /nfs/dbraw/zinc/44/18/38/1111441838.db2.gz NUJXXFMNGGPSGC-UHFFFAOYSA-N 0 0 303.749 3.180 20 10 DGCDRN COc1cc(C)c(CNc2ccc(-c3ncn(C)n3)cc2)c(O)c1 ZINC001308674359 1111459139 /nfs/dbraw/zinc/45/91/39/1111459139.db2.gz DPTFAWUIAQZEAW-UHFFFAOYSA-N 0 0 324.384 3.117 20 10 DGCDRN Cc1ccc(CN(CC[NH+](C)C)Cc2cc(F)cc(F)c2[O-])o1 ZINC001308741418 1111468068 /nfs/dbraw/zinc/46/80/68/1111468068.db2.gz ULCBJSDPPGOULO-UHFFFAOYSA-N 0 0 324.371 3.136 20 10 DGCDRN Cn1ccc2ccc(NCc3cc(F)c(F)cc3O)cc2c1=O ZINC001308752254 1111469975 /nfs/dbraw/zinc/46/99/75/1111469975.db2.gz QCBIAVKETHXFGF-UHFFFAOYSA-N 0 0 316.307 3.134 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC001308776285 1111473080 /nfs/dbraw/zinc/47/30/80/1111473080.db2.gz HMWPQFWPFWQEKY-CJNGLKHVSA-N 0 0 323.383 3.452 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC001308791762 1111475843 /nfs/dbraw/zinc/47/58/43/1111475843.db2.gz HDONVROJVITEHY-HZPDHXFCSA-N 0 0 309.356 3.204 20 10 DGCDRN C[C@@H]1CCCN(Cc2cc(F)ccc2O)[C@H]1C(=O)OC(C)(C)C ZINC001308829748 1111480950 /nfs/dbraw/zinc/48/09/50/1111480950.db2.gz WZEJYJJMOXJFBC-MLGOLLRUSA-N 0 0 323.408 3.474 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]C[C@H]1CCN1Cc1ccccc1 ZINC001308875153 1111487662 /nfs/dbraw/zinc/48/76/62/1111487662.db2.gz NUQXMUPCUVPUHY-OAHLLOKOSA-N 0 0 318.367 3.035 20 10 DGCDRN CCOC(=O)[C@H](CC1CC1)NCc1cc(Cl)c(C)cc1O ZINC001308927619 1111494950 /nfs/dbraw/zinc/49/49/50/1111494950.db2.gz KCEYLCJJDPIFLF-AWEZNQCLSA-N 0 0 311.809 3.175 20 10 DGCDRN CCOC(=O)[C@H](CCCC(C)C)NCc1cc(OC)ccc1O ZINC001308935187 1111496576 /nfs/dbraw/zinc/49/65/76/1111496576.db2.gz MZTMWDVXWUMZML-INIZCTEOSA-N 0 0 323.433 3.248 20 10 DGCDRN COC1(C(F)(F)F)CN(Cc2cc(C(C)C)ccc2O)C1 ZINC001308956024 1111499882 /nfs/dbraw/zinc/49/98/82/1111499882.db2.gz DBJXVIHAJGCRSR-UHFFFAOYSA-N 0 0 303.324 3.279 20 10 DGCDRN COC1(C(F)(F)F)CN(Cc2c(O)cc(C)cc2Cl)C1 ZINC001308957275 1111500203 /nfs/dbraw/zinc/50/02/03/1111500203.db2.gz YVSZVJLSWAPZMB-UHFFFAOYSA-N 0 0 309.715 3.117 20 10 DGCDRN COC(=O)/C=C/c1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])o1 ZINC001308974758 1111502844 /nfs/dbraw/zinc/50/28/44/1111502844.db2.gz KQBHAPZSSDWWRD-BQYQJAHWSA-N 0 0 321.760 3.115 20 10 DGCDRN C[C@@H]1CC=CC[C@H]1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC001311727931 1111616403 /nfs/dbraw/zinc/61/64/03/1111616403.db2.gz PJINAWRTZWOWCX-RHSMWYFYSA-N 0 0 313.445 3.223 20 10 DGCDRN O=C(NCCC1CC=CC1)NCc1c(O)ccc2c1CCCC2 ZINC001313269070 1111705218 /nfs/dbraw/zinc/70/52/18/1111705218.db2.gz AQWMPHBKAJPSFT-UHFFFAOYSA-N 0 0 314.429 3.427 20 10 DGCDRN CC[C@@H](C)[C@@H](C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000183257138 529389071 /nfs/dbraw/zinc/38/90/71/529389071.db2.gz SRGIHZBUSMVFPD-HZPDHXFCSA-N 0 0 318.461 3.416 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2cccn2C)c1O ZINC000079395878 185168834 /nfs/dbraw/zinc/16/88/34/185168834.db2.gz VDJXZEDHVMBCLH-KRWDZBQOSA-N 0 0 316.376 3.410 20 10 DGCDRN O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc2ccccc2c1 ZINC000090662083 185308673 /nfs/dbraw/zinc/30/86/73/185308673.db2.gz BLYIIYKRANBINI-QGOAFFKASA-N 0 0 314.344 3.301 20 10 DGCDRN CCc1ncc(NC(=O)NCc2c(C)c3ccccc3n2C)cn1 ZINC000346871641 529758551 /nfs/dbraw/zinc/75/85/51/529758551.db2.gz MRXULPORUZDAFZ-UHFFFAOYSA-N 0 0 323.400 3.161 20 10 DGCDRN CCCCCOCC(=O)NCc1c(C)c2ccccc2n1C ZINC000471237601 535091833 /nfs/dbraw/zinc/09/18/33/535091833.db2.gz DFLXWCBGSJYCKR-UHFFFAOYSA-N 0 0 302.418 3.310 20 10 DGCDRN COCCCNC(=O)[C@@H](C)Sc1ncc(C(C)(C)C)s1 ZINC000164299164 432045655 /nfs/dbraw/zinc/04/56/55/432045655.db2.gz RLKZUQWXJHIAAS-SNVBAGLBSA-N 0 0 316.492 3.074 20 10 DGCDRN CCOc1cccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1O ZINC000179315625 432053804 /nfs/dbraw/zinc/05/38/04/432053804.db2.gz XDSPPJIQRKPCOP-UHFFFAOYSA-N 0 0 316.357 3.331 20 10 DGCDRN CCO[C@@H]1C[C@H](N(C)C(=O)Cc2ccc(N)cc2)C1(CC)CC ZINC000236883020 202050604 /nfs/dbraw/zinc/05/06/04/202050604.db2.gz NMHLFMAKSYVNIQ-DLBZAZTESA-N 0 0 318.461 3.254 20 10 DGCDRN O=C(NCCc1ccccc1)NCc1ccc(N2CC=CC2)cc1 ZINC000133915733 432071689 /nfs/dbraw/zinc/07/16/89/432071689.db2.gz BZGKCFIRBZDJOY-UHFFFAOYSA-N 0 0 321.424 3.105 20 10 DGCDRN C[C@H]([NH2+]CCn1ccnc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000184868872 299301853 /nfs/dbraw/zinc/30/18/53/299301853.db2.gz SSMQDKUGRFAPSW-VIFPVBQESA-N 0 0 300.189 3.246 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CSCCS1)c1ccc(F)c(F)c1[O-] ZINC000187752740 299311340 /nfs/dbraw/zinc/31/13/40/299311340.db2.gz XCRRPUDTBBABCZ-DTWKUNHWSA-N 0 0 305.415 3.170 20 10 DGCDRN C[C@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1ccc(F)c(F)c1[O-] ZINC000187804625 299323036 /nfs/dbraw/zinc/32/30/36/299323036.db2.gz GEEJYFPIUNLUDC-BBATYDOGSA-N 0 0 319.351 3.155 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])c1ncnn1C ZINC000276634596 299345371 /nfs/dbraw/zinc/34/53/71/299345371.db2.gz OBZRRQHXPMKTBH-YUMQZZPRSA-N 0 0 315.204 3.239 20 10 DGCDRN CCOc1ccc(N(CC)Cc2cc(=O)c(OC)co2)cc1 ZINC000268554056 432103883 /nfs/dbraw/zinc/10/38/83/432103883.db2.gz NTFCALQNFZRCIX-UHFFFAOYSA-N 0 0 303.358 3.074 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC000451312922 241076401 /nfs/dbraw/zinc/07/64/01/241076401.db2.gz KMTYFVQGZGJJRJ-VXGBXAGGSA-N 0 0 310.319 3.301 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H](F)C3)ccc21 ZINC000452367892 241396767 /nfs/dbraw/zinc/39/67/67/241396767.db2.gz DZBMTPDIIORJEF-HNNXBMFYSA-N 0 0 318.392 3.089 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1[nH]nc2ccccc21 ZINC000268642877 432114835 /nfs/dbraw/zinc/11/48/35/432114835.db2.gz PGPQDWOWTYHPPU-UHFFFAOYSA-N 0 0 323.396 3.250 20 10 DGCDRN CCSC1(CNC(=O)N[C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000852629856 620635808 /nfs/dbraw/zinc/63/58/08/620635808.db2.gz YBBUOTYBOCOICE-NSHDSACASA-N 0 0 324.446 3.047 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CC1(Cl)Cl ZINC000268653439 432116855 /nfs/dbraw/zinc/11/68/55/432116855.db2.gz RZSXKEFDHNINSI-LLVKDONJSA-N 0 0 302.201 3.325 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@H](O)c1ccccc1 ZINC000290187957 296149600 /nfs/dbraw/zinc/14/96/00/296149600.db2.gz FUKXVARPJDMOPT-JKDFXYPNSA-N 0 0 316.357 3.073 20 10 DGCDRN C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273596411 296159317 /nfs/dbraw/zinc/15/93/17/296159317.db2.gz QTDZKRZUGYDOMD-MLGOLLRUSA-N 0 0 316.357 3.075 20 10 DGCDRN O=C(/C=C/c1cnccn1)N(Cc1cscn1)c1ccccc1 ZINC000491577148 245529376 /nfs/dbraw/zinc/52/93/76/245529376.db2.gz SRGQJFAWMFGGBE-VOTSOKGWSA-N 0 0 322.393 3.180 20 10 DGCDRN O=C(/C=C/c1cnccn1)N(Cc1ccsc1)c1cccnc1 ZINC000493699419 246043811 /nfs/dbraw/zinc/04/38/11/246043811.db2.gz VTVLTRWCZCLFPA-ONEGZZNKSA-N 0 0 322.393 3.180 20 10 DGCDRN Cc1ccc(N(C)C(=O)/C=C/c2cnc(C(C)(C)C)s2)nn1 ZINC000493755442 246059971 /nfs/dbraw/zinc/05/99/71/246059971.db2.gz MYLGEJQSUGVSLN-VQHVLOKHSA-N 0 0 316.430 3.215 20 10 DGCDRN O=C(C=Cc1cncs1)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000493731654 246054020 /nfs/dbraw/zinc/05/40/20/246054020.db2.gz YTIYFUGLGDZFFR-ZRQQLDRUSA-N 0 0 310.378 3.263 20 10 DGCDRN CCOCc1ccccc1CNC(=O)CSc1nccs1 ZINC000055278472 183976460 /nfs/dbraw/zinc/97/64/60/183976460.db2.gz AXJNVUDNCLWRAY-UHFFFAOYSA-N 0 0 322.455 3.088 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccc2ccccc2c1 ZINC000058534685 184121658 /nfs/dbraw/zinc/12/16/58/184121658.db2.gz RZFNRCLEGKSYBA-UHFFFAOYSA-N 0 0 307.349 3.224 20 10 DGCDRN CS(=O)(=O)Cc1ccc(N[C@@H]2CCc3cccc(O)c32)cc1 ZINC000296954348 533373837 /nfs/dbraw/zinc/37/38/37/533373837.db2.gz QWZXRJHAWQPMMD-OAHLLOKOSA-N 0 0 317.410 3.036 20 10 DGCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000272511148 130036393 /nfs/dbraw/zinc/03/63/93/130036393.db2.gz XADLUBGVOWFLJF-CYBMUJFWSA-N 0 0 317.364 3.171 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)[C@@]2(C)CCCOC2)C2CC2)cc1 ZINC000272656825 130049473 /nfs/dbraw/zinc/04/94/73/130049473.db2.gz ROMMDWWJTGVESG-IBGZPJMESA-N 0 0 316.445 3.060 20 10 DGCDRN CN(Cc1cccs1)c1ccc(CN2CCOCC2)cc1 ZINC000272837451 130067060 /nfs/dbraw/zinc/06/70/60/130067060.db2.gz NGEKHDPMEUUFFW-UHFFFAOYSA-N 0 0 302.443 3.217 20 10 DGCDRN CC[C@H]1C[C@H](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000272912246 130074026 /nfs/dbraw/zinc/07/40/26/130074026.db2.gz LDBWPWMYPRJGEL-AEFFLSMTSA-N 0 0 318.461 3.306 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H](O)CCc1ccccc1 ZINC000273226120 130098384 /nfs/dbraw/zinc/09/83/84/130098384.db2.gz WEMVXVJUSYPRMX-OAHLLOKOSA-N 0 0 305.805 3.129 20 10 DGCDRN C[C@@H](O)c1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273379231 130114842 /nfs/dbraw/zinc/11/48/42/130114842.db2.gz HUJWQENDLBJLKT-VXGBXAGGSA-N 0 0 316.357 3.205 20 10 DGCDRN COc1ccc(O)c([C@@H](C)Nc2cccc(C(=O)N(C)C)c2)c1 ZINC000273419869 130118549 /nfs/dbraw/zinc/11/85/49/130118549.db2.gz JEWULGJLCMTMDU-GFCCVEGCSA-N 0 0 314.385 3.276 20 10 DGCDRN Cc1ccc([C@@H](C)N[C@@H](CO)c2c(F)cccc2F)c(O)c1 ZINC000273537011 130133346 /nfs/dbraw/zinc/13/33/46/130133346.db2.gz XPYYPFUAFJEDBV-ABAIWWIYSA-N 0 0 307.340 3.363 20 10 DGCDRN Cc1cc(C(=O)N(C)c2ccn(C)n2)c(C)n1-c1ccccc1C ZINC000274760545 130259042 /nfs/dbraw/zinc/25/90/42/130259042.db2.gz IBDFAZGPRPXTHO-UHFFFAOYSA-N 0 0 322.412 3.413 20 10 DGCDRN CC[C@H](C)[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(F)(F)F ZINC000278257741 130676480 /nfs/dbraw/zinc/67/64/80/130676480.db2.gz XVQCDJPBLMWPNZ-OSAWCJBNSA-N 0 0 317.307 3.204 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cc(C)[nH]c(=O)c1 ZINC000282495139 130925254 /nfs/dbraw/zinc/92/52/54/130925254.db2.gz MWQWCIJQUTYJSA-UHFFFAOYSA-N 0 0 314.385 3.244 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1nccs1 ZINC000283652168 131010493 /nfs/dbraw/zinc/01/04/93/131010493.db2.gz DHYOHNSYPRWQBK-UHFFFAOYSA-N 0 0 319.430 3.361 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCOC1 ZINC000283822996 131026537 /nfs/dbraw/zinc/02/65/37/131026537.db2.gz ZSZRKUAOSOTTKJ-HNNXBMFYSA-N 0 0 320.433 3.131 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Cc2cccnc2C)cc1 ZINC000285186417 131145788 /nfs/dbraw/zinc/14/57/88/131145788.db2.gz RSRDKCAUSPPKLQ-UHFFFAOYSA-N 0 0 311.429 3.095 20 10 DGCDRN CC[C@H](C)N1CC(=O)N(Cc2ccc(N(CC)CC)cc2)C1=O ZINC000285751122 131198544 /nfs/dbraw/zinc/19/85/44/131198544.db2.gz ASICAKZAPUFIBE-AWEZNQCLSA-N 0 0 317.433 3.096 20 10 DGCDRN CC[C@@H]([NH2+]CCc1cn2ccccc2n1)c1ccc(F)cc1[O-] ZINC000285883005 131207359 /nfs/dbraw/zinc/20/73/59/131207359.db2.gz ZPMCFKMUDAPHFF-MRXNPFEDSA-N 0 0 313.376 3.462 20 10 DGCDRN COC(=O)c1ccc(O)c([C@@H](C)N[C@H](C2CC2)C(F)(F)F)c1 ZINC000287231335 131269946 /nfs/dbraw/zinc/26/99/46/131269946.db2.gz GQWXBFYLIZYQLZ-AMIZOPFISA-N 0 0 317.307 3.170 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNc1nnc([C@H]2CCCO2)o1 ZINC000287703517 131295595 /nfs/dbraw/zinc/29/55/95/131295595.db2.gz MZHBGYQFWPURAK-OAHLLOKOSA-N 0 0 312.373 3.333 20 10 DGCDRN CC[C@H]([NH2+]CCCc1nc(C)no1)c1cccc(Cl)c1[O-] ZINC000287745059 131297244 /nfs/dbraw/zinc/29/72/44/131297244.db2.gz PVXYSLCFBXXNMP-ZDUSSCGKSA-N 0 0 309.797 3.411 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)C(F)(F)F)c(C)n1-c1ccccn1 ZINC000288717458 131337272 /nfs/dbraw/zinc/33/72/72/131337272.db2.gz WHYXJFCNAWFNEJ-NSHDSACASA-N 0 0 311.307 3.170 20 10 DGCDRN COc1cc(N(C)Cc2ccncc2C)cc(OC)c1OC ZINC000295361256 131899339 /nfs/dbraw/zinc/89/93/39/131899339.db2.gz JCQUHBBLAVCDPB-UHFFFAOYSA-N 0 0 302.374 3.052 20 10 DGCDRN COC(=O)c1cnc(SC[C@@H](OC)c2ccccc2)s1 ZINC000295374097 131900209 /nfs/dbraw/zinc/90/02/09/131900209.db2.gz SONAGSXLSFCINR-LLVKDONJSA-N 0 0 309.412 3.410 20 10 DGCDRN Cc1ccc(OCCCC(=O)NCc2ccc(N)cc2)cc1C ZINC000297116037 132000582 /nfs/dbraw/zinc/00/05/82/132000582.db2.gz GCHCWKUXURERSE-UHFFFAOYSA-N 0 0 312.413 3.361 20 10 DGCDRN C[C@H](CC(=O)NCc1ccc(N)cc1)Cc1cccc(F)c1 ZINC000297225935 132004669 /nfs/dbraw/zinc/00/46/69/132004669.db2.gz OIUKVSVTTFVNOL-ZDUSSCGKSA-N 0 0 300.377 3.293 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@H](OC)[C@H](C)CC ZINC000297985349 132043512 /nfs/dbraw/zinc/04/35/12/132043512.db2.gz CCTKCVHZCBOCFS-PBHICJAKSA-N 0 0 322.449 3.375 20 10 DGCDRN C[C@@H]1C[C@@H]1CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298895671 132082586 /nfs/dbraw/zinc/08/25/86/132082586.db2.gz WMSWETUFWYXVHJ-UKRRQHHQSA-N 0 0 301.434 3.083 20 10 DGCDRN C[C@H]1C[C@@H]1CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298895668 132082604 /nfs/dbraw/zinc/08/26/04/132082604.db2.gz WMSWETUFWYXVHJ-DZGCQCFKSA-N 0 0 301.434 3.083 20 10 DGCDRN CCOc1ccc(N(CC)Cc2nnc3n2CCCC3)cc1 ZINC000299567571 132111515 /nfs/dbraw/zinc/11/15/15/132111515.db2.gz GUMAOOYWHSUVKE-UHFFFAOYSA-N 0 0 300.406 3.040 20 10 DGCDRN CO[C@@H]1Cc2ccccc2N(C(=O)/C=C\c2cnccc2C)C1 ZINC000492802544 285867108 /nfs/dbraw/zinc/86/71/08/285867108.db2.gz DTTWRMMZDVDLJD-ZPUOCTKUSA-N 0 0 308.381 3.008 20 10 DGCDRN CCc1nn(C)cc1NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000091158292 400099184 /nfs/dbraw/zinc/09/91/84/400099184.db2.gz ZPVDRWRQUDPZMA-UHFFFAOYSA-N 0 0 323.400 3.037 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCCCOCC(C)C ZINC000066698163 400109981 /nfs/dbraw/zinc/10/99/81/400109981.db2.gz DOCLCQXBCONDRJ-UHFFFAOYSA-N 0 0 322.449 3.377 20 10 DGCDRN COc1ccccc1CCC(=O)NCc1ccc(N(C)C)cc1 ZINC000008171430 400120938 /nfs/dbraw/zinc/12/09/38/400120938.db2.gz ZWKDWMDOLMYLOI-UHFFFAOYSA-N 0 0 312.413 3.010 20 10 DGCDRN O=C(Nc1cccc(N2CCCC2)c1)c1cccc2c1OCCO2 ZINC000067055563 400140990 /nfs/dbraw/zinc/14/09/90/400140990.db2.gz SQTITVGMQYJKJD-UHFFFAOYSA-N 0 0 324.380 3.310 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1 ZINC000025962221 400248844 /nfs/dbraw/zinc/24/88/44/400248844.db2.gz FXIPZQBBMXWZHT-ZWKOTPCHSA-N 0 0 312.388 3.312 20 10 DGCDRN CCc1nnc(CSc2ncc(-c3ccccc3)n2C)o1 ZINC000029878484 400317923 /nfs/dbraw/zinc/31/79/23/400317923.db2.gz VZLSIANJHHTEDJ-UHFFFAOYSA-N 0 0 300.387 3.325 20 10 DGCDRN COc1cccc(CNC(=O)NC[C@H](C)c2ccccc2)c1O ZINC000073498052 400452430 /nfs/dbraw/zinc/45/24/30/400452430.db2.gz HWEVMPYPSGVZAY-ZDUSSCGKSA-N 0 0 314.385 3.004 20 10 DGCDRN Cc1csc([C@H](NC(=O)NCc2ccccc2O)C2CC2)n1 ZINC000073939504 400479246 /nfs/dbraw/zinc/47/92/46/400479246.db2.gz VCFJSVZIDBVGRC-CQSZACIVSA-N 0 0 317.414 3.108 20 10 DGCDRN COCCCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000049612325 400669733 /nfs/dbraw/zinc/66/97/33/400669733.db2.gz MOTRAFMZUGTEKA-UHFFFAOYSA-N 0 0 304.434 3.062 20 10 DGCDRN Cc1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000181221493 400887685 /nfs/dbraw/zinc/88/76/85/400887685.db2.gz QKZJUEDTYGFINM-UHFFFAOYSA-N 0 0 311.385 3.492 20 10 DGCDRN CC[C@H](C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000055530356 400876017 /nfs/dbraw/zinc/87/60/17/400876017.db2.gz AGNQUATXRHXYGX-MELADBBJSA-N 0 0 322.424 3.102 20 10 DGCDRN CCC[C@H](C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000055877656 400898289 /nfs/dbraw/zinc/89/82/89/400898289.db2.gz JFSYCLFTZOKHEK-HNNXBMFYSA-N 0 0 304.434 3.170 20 10 DGCDRN CN(C)c1ccc(CNc2nccc(C(F)(F)F)n2)cc1F ZINC000058545449 401058672 /nfs/dbraw/zinc/05/86/72/401058672.db2.gz SKQWTHXINWOROT-UHFFFAOYSA-N 0 0 314.286 3.313 20 10 DGCDRN COc1ccc2c(c1)CCCCN2C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000276956999 286389100 /nfs/dbraw/zinc/38/91/00/286389100.db2.gz LQERHCWWSHCDAC-INIZCTEOSA-N 0 0 315.413 3.324 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCCO1 ZINC000269326710 432161392 /nfs/dbraw/zinc/16/13/92/432161392.db2.gz BIKJYHSQZCUSPK-KRWDZBQOSA-N 0 0 304.434 3.059 20 10 DGCDRN CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000269628095 432189588 /nfs/dbraw/zinc/18/95/88/432189588.db2.gz DGXMRWCJVABJFE-QGZVFWFLSA-N 0 0 316.357 3.163 20 10 DGCDRN CC(C)[C@H](C)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000172229941 432203000 /nfs/dbraw/zinc/20/30/00/432203000.db2.gz TXUGYWVUWSOMKU-GOEBONIOSA-N 0 0 305.418 3.192 20 10 DGCDRN Cc1nc(C(C)(C)C)sc1C(=O)NCc1ccc(O)c(O)c1 ZINC000272351743 228685422 /nfs/dbraw/zinc/68/54/22/228685422.db2.gz QSHXNQCEAKVLON-UHFFFAOYSA-N 0 0 320.414 3.090 20 10 DGCDRN C[C@H]([NH2+]CCCOC1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273466116 228694805 /nfs/dbraw/zinc/69/48/05/228694805.db2.gz DTMQZXJZMFUICU-LBPRGKRZSA-N 0 0 308.378 3.300 20 10 DGCDRN Cc1cc([N+](=O)[O-])cnc1NCCCSc1nccs1 ZINC000301792533 228897868 /nfs/dbraw/zinc/89/78/68/228897868.db2.gz RHGZLHNUTOBBNR-UHFFFAOYSA-N 0 0 310.404 3.349 20 10 DGCDRN Cc1cc(N(C)Cc2ccccc2O)ncc1Br ZINC000302679258 228900783 /nfs/dbraw/zinc/90/07/83/228900783.db2.gz VXSXCKVMABMIMX-UHFFFAOYSA-N 0 0 307.191 3.495 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccnc(C2CC2)n1 ZINC000348634934 229204535 /nfs/dbraw/zinc/20/45/35/229204535.db2.gz QQZRGIQMGKFJQD-UHFFFAOYSA-N 0 0 320.396 3.084 20 10 DGCDRN Cc1nsc(C)c1C(=O)NCc1c(C)c2ccccc2n1C ZINC000352080230 229241931 /nfs/dbraw/zinc/24/19/31/229241931.db2.gz WDNNUUZNSLAORT-UHFFFAOYSA-N 0 0 313.426 3.490 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1C[C@H]1c1cccnc1 ZINC000363192594 229441501 /nfs/dbraw/zinc/44/15/01/229441501.db2.gz FIURCZCZQIWXLA-RBUKOAKNSA-N 0 0 321.424 3.102 20 10 DGCDRN CC(C)Cn1ncc(C(=O)NCc2ccccc2O)c1C(F)F ZINC000270340962 432234354 /nfs/dbraw/zinc/23/43/54/432234354.db2.gz GWEQXQUBZFKOIX-UHFFFAOYSA-N 0 0 323.343 3.112 20 10 DGCDRN C[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)c1ccccc1 ZINC000182946677 432244948 /nfs/dbraw/zinc/24/49/48/432244948.db2.gz DITPEZRQHCILOP-CQSZACIVSA-N 0 0 310.397 3.282 20 10 DGCDRN CO[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2ccc(C)nc2)C1 ZINC000492763806 277692618 /nfs/dbraw/zinc/69/26/18/277692618.db2.gz JNIALBWDNZGAKW-OAGJVSPASA-N 0 0 308.381 3.008 20 10 DGCDRN CO[C@H]1Cc2ccccc2N(C(=O)/C=C/c2cnc(C)s2)C1 ZINC000283295299 277765735 /nfs/dbraw/zinc/76/57/35/277765735.db2.gz MXSSERYZFXRROQ-NPQIQWPPSA-N 0 0 314.410 3.069 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CCN(C(C)C)C1=O)c1cccc(Cl)c1[O-] ZINC000287314452 288069889 /nfs/dbraw/zinc/06/98/89/288069889.db2.gz DAZQVOGYGKCYFH-UONOGXRCSA-N 0 0 310.825 3.096 20 10 DGCDRN O=C(C[C@@H]1C=CCC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000071808911 431292916 /nfs/dbraw/zinc/29/29/16/431292916.db2.gz ZJQOTHYXSXNVJW-NVXWUHKLSA-N 0 0 315.413 3.256 20 10 DGCDRN CC[C@@H](C)[C@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000182370226 280121620 /nfs/dbraw/zinc/12/16/20/280121620.db2.gz UMRLELCZKKBZPK-CABCVRRESA-N 0 0 304.434 3.026 20 10 DGCDRN CC[C@@H](C)NC(=O)CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000015571553 431608635 /nfs/dbraw/zinc/60/86/35/431608635.db2.gz IAAUUUXFPMFCPE-MRXNPFEDSA-N 0 0 317.477 3.023 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCCCO1 ZINC000119017719 431635497 /nfs/dbraw/zinc/63/54/97/431635497.db2.gz IBDHKVQBWPAJEF-GOSISDBHSA-N 0 0 316.445 3.204 20 10 DGCDRN C[C@@H](OC1CCCCCC1)C(=O)N(C)Cc1ccccc1O ZINC000121462184 431789758 /nfs/dbraw/zinc/78/97/58/431789758.db2.gz WARZTFBLAYBFAG-CQSZACIVSA-N 0 0 305.418 3.479 20 10 DGCDRN CC[C@@H](OC1CCCCC1)C(=O)N(C)Cc1ccccc1O ZINC000121461715 431789781 /nfs/dbraw/zinc/78/97/81/431789781.db2.gz BMORVHUZIXEKDN-QGZVFWFLSA-N 0 0 305.418 3.479 20 10 DGCDRN COc1ccc(N2CCN(C(=O)C3CCCCC3)CC2)cc1F ZINC000084815183 431833371 /nfs/dbraw/zinc/83/33/71/431833371.db2.gz SHQXXMUMQMZQLK-UHFFFAOYSA-N 0 0 320.408 3.063 20 10 DGCDRN CCCCCC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084814724 431833438 /nfs/dbraw/zinc/83/34/38/431833438.db2.gz FNYQMEYPEVWHEB-UHFFFAOYSA-N 0 0 308.397 3.063 20 10 DGCDRN CC[C@H](CSC)N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000091045586 431900415 /nfs/dbraw/zinc/90/04/15/431900415.db2.gz WUINUDLANRROTC-CQSZACIVSA-N 0 0 309.479 3.036 20 10 DGCDRN CCCCCCC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000097152679 431963300 /nfs/dbraw/zinc/96/33/00/431963300.db2.gz QCFYCKSWNSQLBC-UHFFFAOYSA-N 0 0 304.434 3.110 20 10 DGCDRN CC(C)CCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000248290820 432278397 /nfs/dbraw/zinc/27/83/97/432278397.db2.gz SQTVOSNXDREZDI-INIZCTEOSA-N 0 0 305.418 3.336 20 10 DGCDRN Cc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)ccc1F ZINC000173190519 432263169 /nfs/dbraw/zinc/26/31/69/432263169.db2.gz GRFYGBQBKFRGTO-UHFFFAOYSA-N 0 0 314.360 3.239 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(F)c(F)c1 ZINC000173185169 432263616 /nfs/dbraw/zinc/26/36/16/432263616.db2.gz DKYFRTXBEFMXFD-UHFFFAOYSA-N 0 0 318.323 3.070 20 10 DGCDRN CC[C@H](OC1CCCCC1)C(=O)NCCc1ccc(N)cc1 ZINC000152547160 432339982 /nfs/dbraw/zinc/33/99/82/432339982.db2.gz WTIYJZVSBJARAE-KRWDZBQOSA-N 0 0 304.434 3.055 20 10 DGCDRN CCCN(C)c1ccc(C(=O)NCCc2ccc(N)cc2)cc1 ZINC000152591514 432340774 /nfs/dbraw/zinc/34/07/74/432340774.db2.gz BSWXJDHMSXPPOE-UHFFFAOYSA-N 0 0 311.429 3.088 20 10 DGCDRN CC(C)OCCCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000183655100 432312206 /nfs/dbraw/zinc/31/22/06/432312206.db2.gz UBPQSHZXXMLLLJ-UHFFFAOYSA-N 0 0 305.418 3.092 20 10 DGCDRN C[C@H]([NH2+]C[C@]1(O)CCSC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192927423 432429690 /nfs/dbraw/zinc/42/96/90/432429690.db2.gz MNBXYAFRWKAIPN-ISVAXAHUSA-N 0 0 322.257 3.218 20 10 DGCDRN CCc1nnc([C@@H](C)N[C@H](C)c2ccc(N(C)CC)cc2)[nH]1 ZINC000271499365 432408363 /nfs/dbraw/zinc/40/83/63/432408363.db2.gz LXAJAVRPURYCRJ-CHWSQXEVSA-N 0 0 301.438 3.235 20 10 DGCDRN CSc1cccc(N(C)C(=O)/C=C\c2cnn(C)c2C)c1 ZINC000255414071 432409884 /nfs/dbraw/zinc/40/98/84/432409884.db2.gz AWVWAYWLTDOTFT-HJWRWDBZSA-N 0 0 301.415 3.127 20 10 DGCDRN CC[C@H](Oc1ccccc1F)C(=O)N(C)Cc1ccccc1O ZINC000175345748 432425855 /nfs/dbraw/zinc/42/58/55/432425855.db2.gz FRWXWXSOYOCLNT-INIZCTEOSA-N 0 0 317.360 3.347 20 10 DGCDRN COc1cc(O)c(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)cc1OC ZINC000271840661 432426058 /nfs/dbraw/zinc/42/60/58/432426058.db2.gz QPAOJLMUSFHOPL-SUMWQHHRSA-N 0 0 323.433 3.093 20 10 DGCDRN C[C@@H]([NH2+]CCCCNc1ccccn1)c1ccc(F)cc1[O-] ZINC000185325442 432490817 /nfs/dbraw/zinc/49/08/17/432490817.db2.gz MRJZNWAGKMBTNI-CYBMUJFWSA-N 0 0 303.381 3.469 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1[O-] ZINC000185442372 432500876 /nfs/dbraw/zinc/50/08/76/432500876.db2.gz YOQRUPFEDFUTGJ-WCQYABFASA-N 0 0 324.396 3.191 20 10 DGCDRN C[C@@H]([NH2+][C@H](C)[C@H](O)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000185468407 432503865 /nfs/dbraw/zinc/50/38/65/432503865.db2.gz KZDQPTDBDSDKBH-AGKHESDQSA-N 0 0 307.340 3.443 20 10 DGCDRN COc1ccc(N(Cc2nnc3n2CCCC3)C(C)C)cc1F ZINC000263651139 432562844 /nfs/dbraw/zinc/56/28/44/432562844.db2.gz BGFBOUVYYABGMZ-UHFFFAOYSA-N 0 0 318.396 3.177 20 10 DGCDRN Cc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c(F)c1 ZINC000176977360 432572120 /nfs/dbraw/zinc/57/21/20/432572120.db2.gz IILWEDDDUYPWSD-UHFFFAOYSA-N 0 0 314.360 3.239 20 10 DGCDRN CCOC(=O)[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000194746281 432574202 /nfs/dbraw/zinc/57/42/02/432574202.db2.gz LJBCXMBNIBYGFF-GOSISDBHSA-N 0 0 311.381 3.016 20 10 DGCDRN Cc1cc(C(=O)N(C)C[C@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000177226584 432600626 /nfs/dbraw/zinc/60/06/26/432600626.db2.gz ZGHWQERGSLOSII-MRXNPFEDSA-N 0 0 312.413 3.203 20 10 DGCDRN C[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000264340018 432637337 /nfs/dbraw/zinc/63/73/37/432637337.db2.gz WEZXDMDZPWSXMW-YOEHRIQHSA-N 0 0 301.434 3.275 20 10 DGCDRN Cc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187716668 432679003 /nfs/dbraw/zinc/67/90/03/432679003.db2.gz WJDQYGZUEIBVEQ-ABAIWWIYSA-N 0 0 307.340 3.363 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NCCc2cccs2)cc1 ZINC000276594866 432821107 /nfs/dbraw/zinc/82/11/07/432821107.db2.gz LGKQCPIKGXJCDI-UHFFFAOYSA-N 0 0 317.458 3.198 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccnc(F)c1F ZINC000276612416 432823089 /nfs/dbraw/zinc/82/30/89/432823089.db2.gz PSPMPGFQZHVDGB-UHFFFAOYSA-N 0 0 319.355 3.088 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CC2(OC)CCC2)cc1 ZINC000276848789 432826903 /nfs/dbraw/zinc/82/69/03/432826903.db2.gz IYPFHQXZNITGKJ-UHFFFAOYSA-N 0 0 304.434 3.108 20 10 DGCDRN CC(C)C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000277222311 432831550 /nfs/dbraw/zinc/83/15/50/432831550.db2.gz HXLPVBBPTGGUSP-KRWDZBQOSA-N 0 0 304.434 3.266 20 10 DGCDRN CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000276277837 432791448 /nfs/dbraw/zinc/79/14/48/432791448.db2.gz YWXMMMPSFKBNCK-CYBMUJFWSA-N 0 0 317.307 3.284 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CCC[C@@H]2C2CCC2)ccc1[N+](=O)[O-] ZINC000278267594 432891352 /nfs/dbraw/zinc/89/13/52/432891352.db2.gz READPIDCULIUAG-CYBMUJFWSA-N 0 0 306.362 3.074 20 10 DGCDRN CCc1cncc(C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000279016918 432925977 /nfs/dbraw/zinc/92/59/77/432925977.db2.gz NONPQRUBYMOKBP-UHFFFAOYSA-N 0 0 309.413 3.174 20 10 DGCDRN CC[C@H](C)c1ccccc1OCC(=O)NCc1ccc(N)cc1 ZINC000296869934 432933747 /nfs/dbraw/zinc/93/37/47/432933747.db2.gz DVAYKTNYRTXDOJ-AWEZNQCLSA-N 0 0 312.413 3.478 20 10 DGCDRN CC[C@@H](C)c1ccccc1OCC(=O)NCc1ccc(N)cc1 ZINC000296869939 432933798 /nfs/dbraw/zinc/93/37/98/432933798.db2.gz DVAYKTNYRTXDOJ-CQSZACIVSA-N 0 0 312.413 3.478 20 10 DGCDRN C[C@](O)(C[NH2+][C@H]1CCc2cccc(O)c21)c1ccc(F)cc1 ZINC000296877235 432935046 /nfs/dbraw/zinc/93/50/46/432935046.db2.gz OBRHNVPBDITBLP-YJBOKZPZSA-N 0 0 301.361 3.016 20 10 DGCDRN COC1CCN(c2ccc(CN3CCC=C(F)C3)cc2)CC1 ZINC000296353439 432899822 /nfs/dbraw/zinc/89/98/22/432899822.db2.gz RGRREPKALRTAAG-UHFFFAOYSA-N 0 0 304.409 3.361 20 10 DGCDRN CCc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)c1 ZINC000278941399 432919968 /nfs/dbraw/zinc/91/99/68/432919968.db2.gz XUARQRFBHXDCRT-UHFFFAOYSA-N 0 0 302.330 3.484 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cncc(C(F)(F)F)c2)cc1 ZINC000289754329 432973705 /nfs/dbraw/zinc/97/37/05/432973705.db2.gz UYDJEIYSDBQLOM-UHFFFAOYSA-N 0 0 323.318 3.096 20 10 DGCDRN CCCOc1ccc(CN2CCOC[C@H]2CC(F)F)c(O)c1 ZINC000289800525 432974335 /nfs/dbraw/zinc/97/43/35/432974335.db2.gz SKYJYHZRBNSZQM-CYBMUJFWSA-N 0 0 315.360 3.037 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ocnc1C1CC1 ZINC000289824950 432975508 /nfs/dbraw/zinc/97/55/08/432975508.db2.gz UCVRUQZAQBNNJT-UHFFFAOYSA-N 0 0 312.369 3.066 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000289957457 432981024 /nfs/dbraw/zinc/98/10/24/432981024.db2.gz YYYDQEVZSMEBOI-MNOVXSKESA-N 0 0 323.742 3.038 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCSC2)cc1 ZINC000279934250 432998119 /nfs/dbraw/zinc/99/81/19/432998119.db2.gz IYTUDRXCRSUMAS-OAHLLOKOSA-N 0 0 321.490 3.085 20 10 DGCDRN Oc1cccc2c1[C@@H]([NH2+]CC1([C@H](O)c3ccccc3)CC1)CC2 ZINC000297047281 432952475 /nfs/dbraw/zinc/95/24/75/432952475.db2.gz VLCRVGJOFBQBAZ-QFBILLFUSA-N 0 0 309.409 3.483 20 10 DGCDRN Oc1cccc2c1[C@@H]([NH2+]CC1([C@@H](O)c3ccccc3)CC1)CC2 ZINC000297047273 432952762 /nfs/dbraw/zinc/95/27/62/432952762.db2.gz VLCRVGJOFBQBAZ-LPHOPBHVSA-N 0 0 309.409 3.483 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCCC[C@H]1Cc1ccccc1 ZINC000279397081 432963780 /nfs/dbraw/zinc/96/37/80/432963780.db2.gz WDLOBGRLJXSTDC-HNNXBMFYSA-N 0 0 311.381 3.335 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H](O)c1cccc(OC)c1)c1ccc(C)cc1O ZINC000280126264 433003090 /nfs/dbraw/zinc/00/30/90/433003090.db2.gz ORETTXZTZBXNQP-MJGOQNOKSA-N 0 0 315.413 3.484 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H](O)c1cccc(OC)c1)c1ccc(C)cc1O ZINC000280126266 433003739 /nfs/dbraw/zinc/00/37/39/433003739.db2.gz ORETTXZTZBXNQP-PKOBYXMFSA-N 0 0 315.413 3.484 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1COc2ccccc21)c1ccc(F)c(F)c1[O-] ZINC000290165763 433005944 /nfs/dbraw/zinc/00/59/44/433005944.db2.gz DMYMPRKNLQDJCW-QWRGUYRKSA-N 0 0 305.324 3.497 20 10 DGCDRN CSCC1CCC(NC(=O)N(C)Cc2ccccc2O)CC1 ZINC000298119955 433051590 /nfs/dbraw/zinc/05/15/90/433051590.db2.gz NKFCYJRHXBZQRS-UHFFFAOYSA-N 0 0 322.474 3.455 20 10 DGCDRN C[NH+](C)C[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000179634721 289213690 /nfs/dbraw/zinc/21/36/90/289213690.db2.gz BRBFHSPJFJBGFV-SNVBAGLBSA-N 0 0 303.233 3.083 20 10 DGCDRN Cc1cc(C(=O)N2CCC(=O)CC2)c(C)n1-c1ccc(F)cc1 ZINC000298284408 433080439 /nfs/dbraw/zinc/08/04/39/433080439.db2.gz BWZQLLUTQQLUCO-UHFFFAOYSA-N 0 0 314.360 3.038 20 10 DGCDRN Cc1cc(O)c(CN[C@H](C)c2noc(COC(C)C)n2)cc1C ZINC000291035657 433215897 /nfs/dbraw/zinc/21/58/97/433215897.db2.gz YTQHNFWNPILDKB-CYBMUJFWSA-N 0 0 319.405 3.168 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CC12CCOCC2 ZINC000374622870 433243419 /nfs/dbraw/zinc/24/34/19/433243419.db2.gz UFHBLGLSZVYBPL-INIZCTEOSA-N 0 0 317.429 3.338 20 10 DGCDRN CCOc1ccc(O)c(C[N@@H+]2CCCC[C@H]2c2ccnn2C)c1 ZINC000281349521 433290113 /nfs/dbraw/zinc/29/01/13/433290113.db2.gz UACIYINAGSYULX-KRWDZBQOSA-N 0 0 315.417 3.252 20 10 DGCDRN C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N(C)Cc1ccccc1O ZINC000291761982 433344333 /nfs/dbraw/zinc/34/43/33/433344333.db2.gz HXRCEOVENGLILY-YVEFUNNKSA-N 0 0 312.369 3.056 20 10 DGCDRN CCN(C(=O)/C=C\c1cnc2ccccc2n1)c1ccncc1 ZINC000299735632 433379567 /nfs/dbraw/zinc/37/95/67/433379567.db2.gz QWTDUZSEUTWHRL-FPLPWBNLSA-N 0 0 304.353 3.091 20 10 DGCDRN COc1ccc(O)c([C@H](C)Nc2nccc(C(F)(F)F)n2)c1 ZINC000301177479 433444553 /nfs/dbraw/zinc/44/45/53/433444553.db2.gz GPKQUCQGSMNMDR-QMMMGPOBSA-N 0 0 313.279 3.383 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OCC(=O)NCc3ccco3)cc12 ZINC000421206803 433460819 /nfs/dbraw/zinc/46/08/19/433460819.db2.gz WALQCUPAWWCFMZ-UHFFFAOYSA-N 0 0 312.369 3.083 20 10 DGCDRN COc1ccccc1/C=C1\SC(=S)N(C2CCC2)C1=O ZINC000292246252 433522383 /nfs/dbraw/zinc/52/23/83/433522383.db2.gz CVSJRAWWZOTUKN-LCYFTJDESA-N 0 0 305.424 3.449 20 10 DGCDRN COc1cccc(-c2noc(NCc3ccc(N(C)C)cc3)n2)c1 ZINC000301373356 433525810 /nfs/dbraw/zinc/52/58/10/433525810.db2.gz UQAWWKSCKFCDBI-UHFFFAOYSA-N 0 0 324.384 3.423 20 10 DGCDRN CCCC[C@@H](C)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000282227233 433537095 /nfs/dbraw/zinc/53/70/95/433537095.db2.gz ZEBHDQGJKDBMPP-MRXNPFEDSA-N 0 0 318.461 3.308 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cncc(F)c1 ZINC000282087495 433492197 /nfs/dbraw/zinc/49/21/97/433492197.db2.gz YDXIRVXYAMCZQF-UHFFFAOYSA-N 0 0 303.337 3.370 20 10 DGCDRN CCN(CC)c1ccc(CN(C)Cc2nncn2C(C)C)cc1 ZINC000292786061 433593714 /nfs/dbraw/zinc/59/37/14/433593714.db2.gz LWUUTMGZGAPLJZ-UHFFFAOYSA-N 0 0 315.465 3.337 20 10 DGCDRN Cc1nc([C@H]2CCC[N@H+](Cc3cccc(Cl)c3[O-])C2)no1 ZINC000375838187 433584783 /nfs/dbraw/zinc/58/47/83/433584783.db2.gz FCQVOXFFZQLVQO-LBPRGKRZSA-N 0 0 307.781 3.117 20 10 DGCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)N(C)C)cc2Cl)C1 ZINC000282806615 433632859 /nfs/dbraw/zinc/63/28/59/433632859.db2.gz KNORLNFUHIAQRV-GFCCVEGCSA-N 0 0 309.841 3.348 20 10 DGCDRN O=C(CC1CC(c2ccccc2)C1)NCc1ccc(O)c(O)c1 ZINC000282866298 433639503 /nfs/dbraw/zinc/63/95/03/433639503.db2.gz UPWCVISHPKWXFY-UHFFFAOYSA-N 0 0 311.381 3.298 20 10 DGCDRN COc1ccc(CN(c2ccc(OC)c(F)c2)C(C)C)nn1 ZINC000282968787 433642338 /nfs/dbraw/zinc/64/23/38/433642338.db2.gz CRYVDENDQQEHQF-UHFFFAOYSA-N 0 0 305.353 3.048 20 10 DGCDRN Cc1nc(NCCCSc2nccs2)ccc1[N+](=O)[O-] ZINC000301625399 433647218 /nfs/dbraw/zinc/64/72/18/433647218.db2.gz AOZKJIMNXIMXBD-UHFFFAOYSA-N 0 0 310.404 3.349 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(OC)nc1 ZINC000282395397 433594899 /nfs/dbraw/zinc/59/48/99/433594899.db2.gz DWEDWLVBQBWFQU-UHFFFAOYSA-N 0 0 314.385 3.238 20 10 DGCDRN COc1cc(NCc2cccc(OC)c2O)cc(OC)c1C ZINC000292859409 433600470 /nfs/dbraw/zinc/60/04/70/433600470.db2.gz ZXKXZELARUDCIW-UHFFFAOYSA-N 0 0 303.358 3.339 20 10 DGCDRN C[N@@H+]1CC[C@@]2(CCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)C1 ZINC000292881518 433602083 /nfs/dbraw/zinc/60/20/83/433602083.db2.gz XRIMDZSVWBQXDN-OAHLLOKOSA-N 0 0 315.244 3.227 20 10 DGCDRN CN(C)c1ccc(CN[C@H](c2nc[nH]n2)C2CCCCC2)cc1 ZINC000292900984 433605565 /nfs/dbraw/zinc/60/55/65/433605565.db2.gz DNLWDALQIKFURF-KRWDZBQOSA-N 0 0 313.449 3.282 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCC1(COC)CCC1 ZINC000282557353 433620507 /nfs/dbraw/zinc/62/05/07/433620507.db2.gz UOAFLTJLENLFRN-UHFFFAOYSA-N 0 0 320.433 3.131 20 10 DGCDRN Cc1coc(C)c1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000339901029 293010328 /nfs/dbraw/zinc/01/03/28/293010328.db2.gz NLKQAWVMOYYASI-UHFFFAOYSA-N 0 0 300.358 3.002 20 10 DGCDRN COc1ccc(O)c(CNc2nc(C(F)(F)F)cs2)c1 ZINC000301747116 433703995 /nfs/dbraw/zinc/70/39/95/433703995.db2.gz YTUOIQABOYOJIE-UHFFFAOYSA-N 0 0 304.293 3.488 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2c2ncc[nH]2)c1O ZINC000376495651 433756057 /nfs/dbraw/zinc/75/60/57/433756057.db2.gz PSFIDRXKPTUCCK-AWEZNQCLSA-N 0 0 319.792 3.308 20 10 DGCDRN Nc1nc(NCCCSc2nccs2)nc2ccccc12 ZINC000301788391 433723659 /nfs/dbraw/zinc/72/36/59/433723659.db2.gz QIQBYPTVRBKXTD-UHFFFAOYSA-N 0 0 317.443 3.263 20 10 DGCDRN CO[C@H](C[NH2+][C@H](C)c1ccc(Br)cc1O)C1CC1 ZINC000293636852 433811287 /nfs/dbraw/zinc/81/12/87/433811287.db2.gz GWCYGRCLQINYFK-YMTOWFKASA-N 0 0 314.223 3.230 20 10 DGCDRN C[C@H](Nc1ncc(C(N)=O)cc1Cl)c1ccc(N(C)C)cc1 ZINC000302361808 433819843 /nfs/dbraw/zinc/81/98/43/433819843.db2.gz FRFLOZHGWYWKQV-JTQLQIEISA-N 0 0 318.808 3.073 20 10 DGCDRN CC[C@@H]([NH2+]CC1(COC)CCOCC1)c1ccc(F)cc1[O-] ZINC000293788141 433872764 /nfs/dbraw/zinc/87/27/64/433872764.db2.gz UFXNQDBFXSTZTD-OAHLLOKOSA-N 0 0 311.397 3.015 20 10 DGCDRN Cc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2ccncc2)c(O)c1O ZINC000293921875 433924340 /nfs/dbraw/zinc/92/43/40/433924340.db2.gz NECSTDHILGOTOR-INIZCTEOSA-N 0 0 312.369 3.025 20 10 DGCDRN Cc1cc(C(=O)N2CCC[C@H]2CF)c(C)n1-c1ccccn1 ZINC000294007661 433959106 /nfs/dbraw/zinc/95/91/06/433959106.db2.gz IKNMHNZWMDCWAO-AWEZNQCLSA-N 0 0 301.365 3.063 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC[C@@H](O)c1ccccc1 ZINC000294009221 433959304 /nfs/dbraw/zinc/95/93/04/433959304.db2.gz UCSPHKUIFVWBNR-OAHLLOKOSA-N 0 0 309.768 3.398 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)c2ccsn2)C2CC2)cc1 ZINC000294184660 434031105 /nfs/dbraw/zinc/03/11/05/434031105.db2.gz AVGNKIHORZJEQD-UHFFFAOYSA-N 0 0 301.415 3.014 20 10 DGCDRN CCC[C@@H](OC)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000294202895 434038605 /nfs/dbraw/zinc/03/86/05/434038605.db2.gz BZBDOIDYRNFUIY-QGZVFWFLSA-N 0 0 304.434 3.059 20 10 DGCDRN Cn1ccc(/C=C/C(=O)N2C[C@H]3CCCN3c3ccccc32)c1 ZINC000493471044 294001266 /nfs/dbraw/zinc/00/12/66/294001266.db2.gz XSHDKXVFIJRVNT-ROJDOSBLSA-N 0 0 307.397 3.054 20 10 DGCDRN CO[C@@](C)(C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1CC1 ZINC000291646342 294041756 /nfs/dbraw/zinc/04/17/56/294041756.db2.gz FBCKMYDHVYXUFB-LJQANCHMSA-N 0 0 316.445 3.059 20 10 DGCDRN COC(=O)[C@@H](C)NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000294847908 434148766 /nfs/dbraw/zinc/14/87/66/434148766.db2.gz URZFAGHRPRRUSN-CYBMUJFWSA-N 0 0 318.442 3.036 20 10 DGCDRN COc1ccc(N(C[C@@H](O)c2cccnc2)[C@H](C)C2CC2)cc1 ZINC000294951322 434155020 /nfs/dbraw/zinc/15/50/20/434155020.db2.gz MOIKPYOLIOQISP-AUUYWEPGSA-N 0 0 312.413 3.429 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000378517110 434210742 /nfs/dbraw/zinc/21/07/42/434210742.db2.gz JCKWPLAOWBOJJB-KRWDZBQOSA-N 0 0 321.779 3.278 20 10 DGCDRN Cc1nccn1-c1ccc(NCc2ccc(N(C)C)cc2)cn1 ZINC000320108776 434234743 /nfs/dbraw/zinc/23/47/43/434234743.db2.gz WLOJFLYDVWMIGE-UHFFFAOYSA-N 0 0 307.401 3.254 20 10 DGCDRN CCC(C)(C)OCC(=O)NCc1c(C)c2ccccc2n1C ZINC000457771780 434337102 /nfs/dbraw/zinc/33/71/02/434337102.db2.gz VEGVCNKMGRRVAF-UHFFFAOYSA-N 0 0 302.418 3.308 20 10 DGCDRN COC(=O)c1cnc(SC[C@H](O)CCc2ccccc2)s1 ZINC000295951922 434447127 /nfs/dbraw/zinc/44/71/27/434447127.db2.gz ITAXGTQIKXHEIN-GFCCVEGCSA-N 0 0 323.439 3.016 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CC[C@@H](CO)C1 ZINC000295621709 434424731 /nfs/dbraw/zinc/42/47/31/434424731.db2.gz ZQKBGLSUBLOQPA-KGLIPLIRSA-N 0 0 318.442 3.046 20 10 DGCDRN CN(Cc1cccs1)c1ccc(CNc2ncnn2C)cc1 ZINC000295962463 434451974 /nfs/dbraw/zinc/45/19/74/434451974.db2.gz MFWNWEUJCGSWTA-UHFFFAOYSA-N 0 0 313.430 3.125 20 10 DGCDRN Nc1ccc(CC(=O)N2CCC(c3cccc(F)c3)CC2)cc1 ZINC000370766324 434618915 /nfs/dbraw/zinc/61/89/15/434618915.db2.gz LGDURACQPQMVHC-UHFFFAOYSA-N 0 0 312.388 3.357 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1ccc(F)cc1[O-] ZINC000370372914 434611468 /nfs/dbraw/zinc/61/14/68/434611468.db2.gz GDHOZIJDSWMHQU-YVEFUNNKSA-N 0 0 300.377 3.369 20 10 DGCDRN Cc1ccc(/C=C/C(=O)N2C[C@H]3CCCN3c3ccccc32)cn1 ZINC000492430067 434980993 /nfs/dbraw/zinc/98/09/93/434980993.db2.gz SSXBKYYVJFHPNU-SXSDINLZSA-N 0 0 319.408 3.419 20 10 DGCDRN O=C(/C=C\c1cccnc1)N1C[C@@H]2CCCN2c2ccccc21 ZINC000490577077 435664684 /nfs/dbraw/zinc/66/46/84/435664684.db2.gz PLBABMACTPKIBC-YDZSZYSISA-N 0 0 305.381 3.110 20 10 DGCDRN COc1ccc2c(c1)c1c(n2CC(=O)NCCCF)CCCC1 ZINC000651535091 435752458 /nfs/dbraw/zinc/75/24/58/435752458.db2.gz BYLCTKGOCBOFNK-UHFFFAOYSA-N 0 0 318.392 3.005 20 10 DGCDRN COc1ccc2c(c1)CCN2C(=O)/C=C\c1cnc(C)s1 ZINC000255695875 331789591 /nfs/dbraw/zinc/78/95/91/331789591.db2.gz ONRXJSCCLXUXEA-XQRVVYSFSA-N 0 0 300.383 3.063 20 10 DGCDRN CC(C)(CO)[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])c1cccnc1 ZINC000293748058 335113194 /nfs/dbraw/zinc/11/31/94/335113194.db2.gz WNINRRXVOCMLCG-INIZCTEOSA-N 0 0 320.820 3.290 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1nc(CC)cs1 ZINC000279526034 334109443 /nfs/dbraw/zinc/10/94/43/334109443.db2.gz VOCOYPZTCCTBEB-UHFFFAOYSA-N 0 0 318.442 3.392 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1ccc([C@H]2CCOC2)cc1 ZINC000297507272 334241974 /nfs/dbraw/zinc/24/19/74/334241974.db2.gz UKMCKIPXWUYIIY-HNNXBMFYSA-N 0 0 312.369 3.218 20 10 DGCDRN COc1cc(N(C)C[C@@H]2CC=CCC2)c([N+](=O)[O-])cc1OC ZINC000302194698 336353313 /nfs/dbraw/zinc/35/33/13/336353313.db2.gz WWSHEVXRNCJZHX-GFCCVEGCSA-N 0 0 306.362 3.405 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1ncnc2c(F)cccc12 ZINC000302768372 336368302 /nfs/dbraw/zinc/36/83/02/336368302.db2.gz AVOOJEHDNNAQAQ-JTQLQIEISA-N 0 0 313.332 3.223 20 10 DGCDRN CN(C)c1ccc(CN(C)c2ncnc3c(F)cccc32)cc1 ZINC000302782507 336368900 /nfs/dbraw/zinc/36/89/00/336368900.db2.gz KIJBJEJKGDUFBY-UHFFFAOYSA-N 0 0 310.376 3.471 20 10 DGCDRN C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)NCc1cccc(Br)c1O ZINC000529170894 340747503 /nfs/dbraw/zinc/74/75/03/340747503.db2.gz MAPQNCOENCBMRG-HJIKLVIJSA-N 0 0 324.218 3.063 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ocnc1C1CC1 ZINC000564681633 341506697 /nfs/dbraw/zinc/50/66/97/341506697.db2.gz ASHSLHOBLKOIEL-UHFFFAOYSA-N 0 0 309.369 3.282 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1nc(C(C)(C)C)ns1 ZINC000160308704 534233598 /nfs/dbraw/zinc/23/35/98/534233598.db2.gz UNCMKITWPWBKDQ-VIFPVBQESA-N 0 0 307.419 3.290 20 10 DGCDRN CC(C)(C)CCS(=O)(=O)NCc1ccc(N2CCCC2)cc1 ZINC000172088773 518657165 /nfs/dbraw/zinc/65/71/65/518657165.db2.gz INNZGIJWXKDPFM-UHFFFAOYSA-N 0 0 324.490 3.142 20 10 DGCDRN CC(C)c1csc(CNC(=O)/C=C/c2ccc(O)c(O)c2)n1 ZINC000181212043 519853132 /nfs/dbraw/zinc/85/31/32/519853132.db2.gz HKAUCFUHXZQXLF-GQCTYLIASA-N 0 0 318.398 3.007 20 10 DGCDRN CCOCCN(C)C(=O)c1sccc1-n1c(C)ccc1C ZINC000180176017 519904012 /nfs/dbraw/zinc/90/40/12/519904012.db2.gz LOENHQSKFMCFBL-UHFFFAOYSA-N 0 0 306.431 3.264 20 10 DGCDRN CC1CCN(c2ccc(C(=O)Nc3ccc(N)cc3)cn2)CC1 ZINC000236672163 521039165 /nfs/dbraw/zinc/03/91/65/521039165.db2.gz WEJIZFJNYBSXOT-UHFFFAOYSA-N 0 0 310.401 3.152 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCS3)cc2)CC1 ZINC000266446740 521040491 /nfs/dbraw/zinc/04/04/91/521040491.db2.gz NCEPUEFTSXOUIK-KRWDZBQOSA-N 0 0 318.486 3.435 20 10 DGCDRN CCOc1ccc(O)c(CNC2(c3noc(C)n3)CCCC2)c1 ZINC000237068246 521153011 /nfs/dbraw/zinc/15/30/11/521153011.db2.gz BGKHBJUVMLRYCJ-UHFFFAOYSA-N 0 0 317.389 3.041 20 10 DGCDRN CCN(CCn1nc(C)cc1C)c1ccc(OC)c(OC)c1 ZINC000264559117 521186068 /nfs/dbraw/zinc/18/60/68/521186068.db2.gz NSWDGWDBWCBMSP-UHFFFAOYSA-N 0 0 303.406 3.044 20 10 DGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C(C)(C)F ZINC000158236344 521285133 /nfs/dbraw/zinc/28/51/33/521285133.db2.gz CYGPKVNGHPDVKU-UHFFFAOYSA-N 0 0 318.186 3.251 20 10 DGCDRN CCC(CC)c1cc(CNC(=O)Cc2ccc(N)cc2)on1 ZINC000236721018 521632978 /nfs/dbraw/zinc/63/29/78/521632978.db2.gz WWJLJGFYCZATMG-UHFFFAOYSA-N 0 0 301.390 3.019 20 10 DGCDRN CCC1(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)CCC1 ZINC000364335264 521662096 /nfs/dbraw/zinc/66/20/96/521662096.db2.gz DTCKITZQVCWXGH-UHFFFAOYSA-N 0 0 316.445 3.314 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCCSC1 ZINC000267296236 521688761 /nfs/dbraw/zinc/68/87/61/521688761.db2.gz JREVTYKICQHLIX-AWEZNQCLSA-N 0 0 308.447 3.209 20 10 DGCDRN CC[C@H](C)Oc1cc(C(=O)N(C)Cc2ccccc2O)ccn1 ZINC000180603067 521758673 /nfs/dbraw/zinc/75/86/73/521758673.db2.gz YYJZAYRDPGNXCH-ZDUSSCGKSA-N 0 0 314.385 3.237 20 10 DGCDRN CC[C@@H](C(=O)NCc1cccc(OC)c1O)c1ccc(F)cc1 ZINC000127506648 521849764 /nfs/dbraw/zinc/84/97/64/521849764.db2.gz SMXFWSXPZGGGCF-OAHLLOKOSA-N 0 0 317.360 3.350 20 10 DGCDRN CC[C@H](CC(=O)NCCc1ccc(O)c(O)c1)c1ccccc1 ZINC000156684847 522100906 /nfs/dbraw/zinc/10/09/06/522100906.db2.gz WIZWHGVAQZGREZ-OAHLLOKOSA-N 0 0 313.397 3.340 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)C[C@H]2CCCCO2)C2CC2)cc1 ZINC000268006957 522162638 /nfs/dbraw/zinc/16/26/38/522162638.db2.gz XVZKHZJYRROEQJ-GOSISDBHSA-N 0 0 316.445 3.203 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2OCCc3ccccc32)cc1 ZINC000127729592 522170449 /nfs/dbraw/zinc/17/04/49/522170449.db2.gz KBHATLMFKOQPTI-IBGZPJMESA-N 0 0 324.424 3.025 20 10 DGCDRN CCc1nc([C@H](C)NC(=O)N(C)Cc2ccccc2O)cs1 ZINC000111895371 522444795 /nfs/dbraw/zinc/44/47/95/522444795.db2.gz WTGUTZKYDJRVGX-NSHDSACASA-N 0 0 319.430 3.314 20 10 DGCDRN CC[C@@H](CNC(=O)Cc1ccc(N)cc1)Oc1cccc(C)c1 ZINC000236960946 522533749 /nfs/dbraw/zinc/53/37/49/522533749.db2.gz SCAOTCOTXXIPKT-KRWDZBQOSA-N 0 0 312.413 3.094 20 10 DGCDRN COCc1noc(CN(c2ccc(OC)cc2)[C@H](C)C2CC2)n1 ZINC000182652995 523258709 /nfs/dbraw/zinc/25/87/09/523258709.db2.gz XSCLMGLBKIGUJX-GFCCVEGCSA-N 0 0 317.389 3.030 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000157164715 523381583 /nfs/dbraw/zinc/38/15/83/523381583.db2.gz ZCFLMBVRCSXOSF-OAHLLOKOSA-N 0 0 318.417 3.025 20 10 DGCDRN CO[C@H](C)c1nc(CNCc2c(O)cccc2Cl)cs1 ZINC000267630887 523915098 /nfs/dbraw/zinc/91/50/98/523915098.db2.gz NUWRAMFAWKBXEQ-SECBINFHSA-N 0 0 312.822 3.499 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCCOCC2)cc1 ZINC000180165414 524216398 /nfs/dbraw/zinc/21/63/98/524216398.db2.gz DFVGPCCJQKDYIN-QGZVFWFLSA-N 0 0 312.413 3.393 20 10 DGCDRN Cc1ccccc1[C@H](C)CC(=O)NCCc1ccc(O)c(O)c1 ZINC000156663206 525402052 /nfs/dbraw/zinc/40/20/52/525402052.db2.gz JRBBDOYCTMMTTJ-CQSZACIVSA-N 0 0 313.397 3.259 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cn(C(C)C)cn1 ZINC000337166075 525973485 /nfs/dbraw/zinc/97/34/85/525973485.db2.gz INBMEFOUPHSCDL-UHFFFAOYSA-N 0 0 310.401 3.194 20 10 DGCDRN CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000272259361 534898439 /nfs/dbraw/zinc/89/84/39/534898439.db2.gz JUOUNQDSBPMHIU-ZDUSSCGKSA-N 0 0 324.396 3.020 20 10 DGCDRN C[C@@H](c1ccco1)N(C(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 ZINC000180697055 526125354 /nfs/dbraw/zinc/12/53/54/526125354.db2.gz LEINHWGRHSUBDQ-LHXVZLOVSA-N 0 0 313.353 3.456 20 10 DGCDRN Cc1csc(CN(Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000126956400 526342321 /nfs/dbraw/zinc/34/23/21/526342321.db2.gz LQWXQZIPFDTJKS-OAHLLOKOSA-N 0 0 318.442 3.338 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1Cc2ccccc2C1 ZINC000128028136 526679335 /nfs/dbraw/zinc/67/93/35/526679335.db2.gz BXCZROBCCYGHJO-UHFFFAOYSA-N 0 0 319.408 3.288 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)C1CCSCC1 ZINC000264934252 526681028 /nfs/dbraw/zinc/68/10/28/526681028.db2.gz ZBWOVJBXAKIEFM-UHFFFAOYSA-N 0 0 304.459 3.046 20 10 DGCDRN Cn1cc(C(=O)NCc2ccccc2O)c(C2CCCCC2)n1 ZINC000269114336 527166704 /nfs/dbraw/zinc/16/67/04/527166704.db2.gz DAHMTFXNTGEJKQ-UHFFFAOYSA-N 0 0 313.401 3.103 20 10 DGCDRN CC(=O)c1ccc(C(=O)NCc2c(C)c3ccccc3n2C)o1 ZINC000348698798 527257497 /nfs/dbraw/zinc/25/74/97/527257497.db2.gz LTHHAFYVGXSEMQ-UHFFFAOYSA-N 0 0 310.353 3.212 20 10 DGCDRN Nc1ccc(CCNC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)cc1 ZINC000152590328 527480381 /nfs/dbraw/zinc/48/03/81/527480381.db2.gz HOINQCRYOPPYBA-CABCVRRESA-N 0 0 316.351 3.009 20 10 DGCDRN CC(C)Oc1ccc(N(C)C[C@@H]2CC3(CCC3)C(=O)O2)cc1 ZINC000277116867 534997646 /nfs/dbraw/zinc/99/76/46/534997646.db2.gz HLZDAEOCDWRRIH-INIZCTEOSA-N 0 0 303.402 3.396 20 10 DGCDRN CCN(CC)c1ccc(CNCc2cc(COC)on2)cc1F ZINC000298561899 535687021 /nfs/dbraw/zinc/68/70/21/535687021.db2.gz WAZZFFJIKJFFSH-UHFFFAOYSA-N 0 0 321.396 3.096 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(F)cc1[O-] ZINC000286299437 535804587 /nfs/dbraw/zinc/80/45/87/535804587.db2.gz WPLBYIHJPAHRTI-WMLDXEAASA-N 0 0 303.377 3.348 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000287669313 535807881 /nfs/dbraw/zinc/80/78/81/535807881.db2.gz MCVAHGSYARCWAT-QPUJVOFHSA-N 0 0 319.232 3.216 20 10 DGCDRN CCc1cnc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000273624091 536052289 /nfs/dbraw/zinc/05/22/89/536052289.db2.gz ZUZYXTSYMZQSAL-VIFPVBQESA-N 0 0 307.375 3.170 20 10 DGCDRN CCc1cnc(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])s1 ZINC000273588337 536054059 /nfs/dbraw/zinc/05/40/59/536054059.db2.gz OKQRGDYPLNTJEJ-SNVBAGLBSA-N 0 0 320.414 3.049 20 10 DGCDRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)C1=CC(=O)CS1 ZINC000746893574 574520033 /nfs/dbraw/zinc/52/00/33/574520033.db2.gz CMEHRMHHLJHYCC-UZJPJQLHSA-N 0 0 323.439 3.024 20 10 DGCDRN COC(=O)c1ccc2c(c1)CN(Cc1cc(C)c(C)cc1O)C2 ZINC000730254818 574522700 /nfs/dbraw/zinc/52/27/00/574522700.db2.gz KSMHEPQMFRBMEA-UHFFFAOYSA-N 0 0 311.381 3.311 20 10 DGCDRN COCCN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 ZINC000731037200 574541860 /nfs/dbraw/zinc/54/18/60/574541860.db2.gz WWISYEGUOUAHMK-UHFFFAOYSA-N 0 0 320.433 3.110 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)OCCCF)ccc21 ZINC000741443829 574546212 /nfs/dbraw/zinc/54/62/12/574546212.db2.gz IWDFNDFVTOWWRD-UHFFFAOYSA-N 0 0 307.365 3.421 20 10 DGCDRN O=C(Nc1ccc(OCC(F)(F)F)nc1)C1=CC(=O)CS1 ZINC000731869901 574560528 /nfs/dbraw/zinc/56/05/28/574560528.db2.gz QKRZWVYDERMZNG-UHFFFAOYSA-N 0 0 318.276 3.042 20 10 DGCDRN Cc1ccccc1-c1noc(CN(C)Cc2ccccc2O)n1 ZINC000731843459 574559983 /nfs/dbraw/zinc/55/99/83/574559983.db2.gz IKQIWIKNUWUGJI-UHFFFAOYSA-N 0 0 309.369 3.383 20 10 DGCDRN O=C(NCCCn1ccc2ccccc21)C1=CC(=O)CS1 ZINC000731865258 574560650 /nfs/dbraw/zinc/56/06/50/574560650.db2.gz MPVGQLWPVRYCFN-UHFFFAOYSA-N 0 0 300.383 3.229 20 10 DGCDRN CCCC(=O)Nc1cccc(CNC(=O)C2=CC(=O)CS2)c1 ZINC000731871355 574560769 /nfs/dbraw/zinc/56/07/69/574560769.db2.gz CVVKTELFZXXDGM-UHFFFAOYSA-N 0 0 318.398 3.122 20 10 DGCDRN Cc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)C2=CC(=O)CS2)c1 ZINC000731909669 574561947 /nfs/dbraw/zinc/56/19/47/574561947.db2.gz INJHOJUNUVLKJV-LLVKDONJSA-N 0 0 319.382 3.255 20 10 DGCDRN CC(=O)c1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000731980535 574564421 /nfs/dbraw/zinc/56/44/21/574564421.db2.gz AVXJXZFLNGCLKO-UHFFFAOYSA-N 0 0 314.360 3.024 20 10 DGCDRN CN(Cc1ccn(-c2cccc(F)c2)n1)Cc1ccccc1O ZINC000732203256 574568097 /nfs/dbraw/zinc/56/80/97/574568097.db2.gz SEEQIRYKWQEXKD-UHFFFAOYSA-N 0 0 311.360 3.349 20 10 DGCDRN O=C(NCc1cccc(Br)c1)C1=CC(=O)CS1 ZINC000732267155 574569663 /nfs/dbraw/zinc/56/96/63/574569663.db2.gz CHMYSCFNESDARD-UHFFFAOYSA-N 0 0 312.188 3.146 20 10 DGCDRN O=C(N[C@H]1CCCOc2ccc(F)cc21)C1=CC(=O)CS1 ZINC000732276995 574570139 /nfs/dbraw/zinc/57/01/39/574570139.db2.gz ZZDUGBKIDVHQCD-LBPRGKRZSA-N 0 0 307.346 3.237 20 10 DGCDRN Cc1cccc(C)c1OC[C@@H](C)NC(=O)C1=CC(=O)CS1 ZINC000732277321 574570143 /nfs/dbraw/zinc/57/01/43/574570143.db2.gz DVXAEROGEOTICK-GFCCVEGCSA-N 0 0 305.399 3.268 20 10 DGCDRN O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)C1=CC(=O)CS1 ZINC000732277524 574570163 /nfs/dbraw/zinc/57/01/63/574570163.db2.gz JQWFQISGTDXCLQ-BBRMVZONSA-N 0 0 317.410 3.351 20 10 DGCDRN O=C(O[C@@H]1CCCc2ccccc2C1=O)C1=CC(=O)CS1 ZINC000732353052 574572081 /nfs/dbraw/zinc/57/20/81/574572081.db2.gz KWUHMEYUZYGEKA-CYBMUJFWSA-N 0 0 302.351 3.198 20 10 DGCDRN Cc1ccccc1-c1noc(COC(=O)C2=CC(=O)CS2)n1 ZINC000732353914 574572221 /nfs/dbraw/zinc/57/22/21/574572221.db2.gz WRXPMNIZWMBWIY-UHFFFAOYSA-N 0 0 316.338 3.169 20 10 DGCDRN Cc1ncc(/C=C\C(=O)N2C[C@H](C)Oc3ccccc32)s1 ZINC000732741026 574581054 /nfs/dbraw/zinc/58/10/54/574581054.db2.gz GVOVZYNWFFWRSF-TVRMLOFPSA-N 0 0 300.383 3.279 20 10 DGCDRN C[C@H]1CCC[C@H](OCC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000732954389 574589488 /nfs/dbraw/zinc/58/94/88/574589488.db2.gz ZGNFMOCXTHNICV-YJBOKZPZSA-N 0 0 318.461 3.306 20 10 DGCDRN C[C@@H]1CCC[C@H](OCC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000732954388 574589525 /nfs/dbraw/zinc/58/95/25/574589525.db2.gz ZGNFMOCXTHNICV-QAPCUYQASA-N 0 0 318.461 3.306 20 10 DGCDRN O=C(NCCCSc1nccs1)c1ccc2c(c1)COC2 ZINC000733972022 574645934 /nfs/dbraw/zinc/64/59/34/574645934.db2.gz INLVLIUFFWNQLK-UHFFFAOYSA-N 0 0 320.439 3.086 20 10 DGCDRN O=C(NCCCSc1nccs1)c1ccc(Cl)nc1 ZINC000733973946 574645122 /nfs/dbraw/zinc/64/51/22/574645122.db2.gz GCLLYPCTHOGMSG-UHFFFAOYSA-N 0 0 313.835 3.104 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)/C=C\c1ccsc1 ZINC000734405744 574659541 /nfs/dbraw/zinc/65/95/41/574659541.db2.gz YKGWQIYMQVOJTE-DAXSKMNVSA-N 0 0 300.427 3.452 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CO[C@@H]1CCCC[C@@H]1C ZINC000734406236 574659986 /nfs/dbraw/zinc/65/99/86/574659986.db2.gz OFIQJAGJZWVLPO-KBXCAEBGSA-N 0 0 318.461 3.273 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cc(F)cc(F)c1 ZINC000734406234 574660019 /nfs/dbraw/zinc/66/00/19/574660019.db2.gz RRUGVTAFRBVSQC-UHFFFAOYSA-N 0 0 304.340 3.269 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1nccc(N2CCCC2)n1 ZINC000734483119 574661919 /nfs/dbraw/zinc/66/19/19/574661919.db2.gz VTGLZMHXABXAQT-UHFFFAOYSA-N 0 0 311.433 3.063 20 10 DGCDRN Cc1nc(NC(=O)NCc2ccc(N(C)C)cc2C)sc1C ZINC000734516604 574664486 /nfs/dbraw/zinc/66/44/86/574664486.db2.gz FDHUBUKCMZYADD-UHFFFAOYSA-N 0 0 318.446 3.456 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccsc1 ZINC000734520419 574666132 /nfs/dbraw/zinc/66/61/32/574666132.db2.gz IEDFDUJCBMPASB-UHFFFAOYSA-N 0 0 303.431 3.122 20 10 DGCDRN C[C@@H](CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1CC1 ZINC000735518716 574705874 /nfs/dbraw/zinc/70/58/74/574705874.db2.gz JYORHUILQFLXKV-WMLDXEAASA-N 0 0 317.429 3.336 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@H]1CSc2ccccc21 ZINC000735579393 574706646 /nfs/dbraw/zinc/70/66/46/574706646.db2.gz GHJJVEPZMBPJTC-ZDUSSCGKSA-N 0 0 300.383 3.038 20 10 DGCDRN Cc1c(Cl)ccc2c1N(C(=O)/C=C/c1cnn(C)c1)CCC2 ZINC000736063706 574730052 /nfs/dbraw/zinc/73/00/52/574730052.db2.gz UJJQXZOPGGTZQN-VMPITWQZSA-N 0 0 315.804 3.375 20 10 DGCDRN Cc1cc(CN2CC[S@](=O)[C@H](C)[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000736600177 574760387 /nfs/dbraw/zinc/76/03/87/574760387.db2.gz SEZVQOOPAOBMBB-VVYDWRJNSA-N 0 0 323.502 3.339 20 10 DGCDRN Cc1cc(CN2CC[S@](=O)[C@H](C)[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000736600174 574760404 /nfs/dbraw/zinc/76/04/04/574760404.db2.gz SEZVQOOPAOBMBB-SOHPYSCWSA-N 0 0 323.502 3.339 20 10 DGCDRN CCOCC[N@H+](CC)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000737170610 574825383 /nfs/dbraw/zinc/82/53/83/574825383.db2.gz ZVDBMWPCZGLLQT-UHFFFAOYSA-N 0 0 317.385 3.102 20 10 DGCDRN CCN1C(=O)/C(=C/c2cnc3ccc(Cl)cn23)SC1=S ZINC000737444721 574843899 /nfs/dbraw/zinc/84/38/99/574843899.db2.gz SPBKYEPUGXBZGA-YHYXMXQVSA-N 0 0 323.830 3.209 20 10 DGCDRN CCOc1ccc(N(C)C[C@H](O)COc2ccccc2C)cc1 ZINC000739923007 574915950 /nfs/dbraw/zinc/91/59/50/574915950.db2.gz AZLWYRQIRYFUGI-KRWDZBQOSA-N 0 0 315.413 3.270 20 10 DGCDRN CCN(CC)c1ccc(CN[C@H](C)C(=O)OC(C)(C)C)cc1F ZINC000740007019 574917963 /nfs/dbraw/zinc/91/79/63/574917963.db2.gz QUHXMMGREAQJRW-CYBMUJFWSA-N 0 0 324.440 3.492 20 10 DGCDRN O=C(NCc1ccccc1OCC1CC1)C1=CC(=O)CS1 ZINC000740141982 574925937 /nfs/dbraw/zinc/92/59/37/574925937.db2.gz CJEGDFAYETUCSM-UHFFFAOYSA-N 0 0 303.383 3.173 20 10 DGCDRN CCN(CC)c1ccc(CN(C)CC(=O)c2cccn2C)cc1 ZINC000741677680 574966400 /nfs/dbraw/zinc/96/64/00/574966400.db2.gz ATYPHMIUQGSURH-UHFFFAOYSA-N 0 0 313.445 3.186 20 10 DGCDRN CCCc1ncc(C(=O)NCc2ccc(N(C)C)cc2C)s1 ZINC000741932910 574976743 /nfs/dbraw/zinc/97/67/43/574976743.db2.gz XJRMPJQKZUCONF-UHFFFAOYSA-N 0 0 317.458 3.400 20 10 DGCDRN COc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cc1Cl ZINC000742368990 574993002 /nfs/dbraw/zinc/99/30/02/574993002.db2.gz TVIRXBDLRKMREA-UHFFFAOYSA-N 0 0 322.748 3.252 20 10 DGCDRN COCCCC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000742415997 574998351 /nfs/dbraw/zinc/99/83/51/574998351.db2.gz HRVZNBBUMYREBJ-UHFFFAOYSA-N 0 0 318.461 3.498 20 10 DGCDRN COC(C)(C)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000742717620 575014567 /nfs/dbraw/zinc/01/45/67/575014567.db2.gz BARFLWZCPCFCBD-UHFFFAOYSA-N 0 0 300.402 3.249 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2CCSC2)c(C)n1-c1ccc(F)cc1 ZINC000742777833 575018868 /nfs/dbraw/zinc/01/88/68/575018868.db2.gz HGIVMQMDCGSNAZ-CQSZACIVSA-N 0 0 318.417 3.469 20 10 DGCDRN CCCCSCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000742952515 575025530 /nfs/dbraw/zinc/02/55/30/575025530.db2.gz KVNAGNISJHIFMW-UHFFFAOYSA-N 0 0 308.447 3.011 20 10 DGCDRN Cc1ccc([C@H](C)C(=O)N2CCOc3cc(N(C)C)ccc32)o1 ZINC000742952742 575025737 /nfs/dbraw/zinc/02/57/37/575025737.db2.gz PVCKECLVHFDJHG-ZDUSSCGKSA-N 0 0 314.385 3.183 20 10 DGCDRN Cc1ccc(-c2ocnc2C(=O)NCc2ccccc2O)cc1 ZINC000743327839 575043302 /nfs/dbraw/zinc/04/33/02/575043302.db2.gz QOFCCXBWDBSLGC-UHFFFAOYSA-N 0 0 308.337 3.286 20 10 DGCDRN O=C(NCc1ccccc1O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000743326723 575043404 /nfs/dbraw/zinc/04/34/04/575043404.db2.gz HTGUCGRJFKRRHG-JSGCOSHPSA-N 0 0 303.308 3.090 20 10 DGCDRN Cc1c[nH]cc1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000743432099 575050732 /nfs/dbraw/zinc/05/07/32/575050732.db2.gz BYTIUIXXCOOJSC-UHFFFAOYSA-N 0 0 310.353 3.464 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2C[C@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000743461262 575053238 /nfs/dbraw/zinc/05/32/38/575053238.db2.gz XFFIAMGFYYJTHT-HYOAPIGFSA-N 0 0 318.373 3.406 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H](COC)C(C)C)cc1 ZINC000743636403 575059552 /nfs/dbraw/zinc/05/95/52/575059552.db2.gz FGUMTAFCHOUWTN-QGZVFWFLSA-N 0 0 321.465 3.003 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@H]2Cc2ccccc2)cc1 ZINC000743638757 575059941 /nfs/dbraw/zinc/05/99/41/575059941.db2.gz UIBQGXBLCPMCRT-IEBWSBKVSA-N 0 0 323.440 3.183 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@H]2C[C@H]2Cc2ccccc2)cc1 ZINC000743638758 575059987 /nfs/dbraw/zinc/05/99/87/575059987.db2.gz UIBQGXBLCPMCRT-MJGOQNOKSA-N 0 0 323.440 3.183 20 10 DGCDRN COC(C)(C)C[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1C ZINC000743657070 575060157 /nfs/dbraw/zinc/06/01/57/575060157.db2.gz ZGTRBAFZSFPLIZ-AWEZNQCLSA-N 0 0 321.465 3.064 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCCC(F)(F)F)c1 ZINC000743708776 575061814 /nfs/dbraw/zinc/06/18/14/575061814.db2.gz JJHQKKQXPABSFR-VIFPVBQESA-N 0 0 320.311 3.104 20 10 DGCDRN Cc1ccccc1CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743717827 575062113 /nfs/dbraw/zinc/06/21/13/575062113.db2.gz RWSPJWMKXBGELG-UHFFFAOYSA-N 0 0 309.409 3.438 20 10 DGCDRN Cn1cc(Cl)cc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743717267 575062187 /nfs/dbraw/zinc/06/21/87/575062187.db2.gz JUHYWDRJLWOTNT-UHFFFAOYSA-N 0 0 318.804 3.193 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2cccn2C)cc1 ZINC000743790098 575063365 /nfs/dbraw/zinc/06/33/65/575063365.db2.gz HFKRKHVVOMQNKN-UHFFFAOYSA-N 0 0 307.397 3.363 20 10 DGCDRN COCCCOC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000729075098 575214550 /nfs/dbraw/zinc/21/45/50/575214550.db2.gz AAROISONXCEXTL-UHFFFAOYSA-N 0 0 317.385 3.296 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(Cl)cc2O)c1 ZINC000728980875 575198902 /nfs/dbraw/zinc/19/89/02/575198902.db2.gz PCRUXIDBWWMPHL-VIFPVBQESA-N 0 0 321.760 3.251 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(F)c(C)c2)c1 ZINC000728979496 575198989 /nfs/dbraw/zinc/19/89/89/575198989.db2.gz WTUMOGHJWIXCRX-LLVKDONJSA-N 0 0 303.333 3.339 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)OCCC(C)C)c1 ZINC000728981831 575199293 /nfs/dbraw/zinc/19/92/93/575199293.db2.gz FLWWOTSJYGFYBE-QWHCGFSZSA-N 0 0 309.406 3.029 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2sccc2C)c1 ZINC000728944325 575196944 /nfs/dbraw/zinc/19/69/44/575196944.db2.gz VDQYDSXWECFALX-NSHDSACASA-N 0 0 320.414 3.331 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)C1CCCCC1 ZINC000729269333 575231602 /nfs/dbraw/zinc/23/16/02/575231602.db2.gz ZJRVGLHIAFWFPS-UHFFFAOYSA-N 0 0 324.490 3.237 20 10 DGCDRN CCCCS[C@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000729277626 575231679 /nfs/dbraw/zinc/23/16/79/575231679.db2.gz FTQUKJLYDYTAIO-NWDGAFQWSA-N 0 0 311.447 3.500 20 10 DGCDRN C[C@H]1CCC[C@H]1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000729506952 575253560 /nfs/dbraw/zinc/25/35/60/575253560.db2.gz ANKMYEAFTSOXDH-XJKSGUPXSA-N 0 0 301.434 3.057 20 10 DGCDRN COc1cccc(CNC(=O)c2csc(C(C)(C)C)n2)c1O ZINC000729859351 575264903 /nfs/dbraw/zinc/26/49/03/575264903.db2.gz QIGQPTRWMUHJBV-UHFFFAOYSA-N 0 0 320.414 3.085 20 10 DGCDRN Cc1cc(O)c(CN2C[C@H](C(F)(F)F)O[C@@H](C)C2)cc1C ZINC000744442044 575343260 /nfs/dbraw/zinc/34/32/60/575343260.db2.gz DDQKJZDCSDZIMI-SMDDNHRTSA-N 0 0 303.324 3.161 20 10 DGCDRN Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)O3)c(C)n1-c1ccccc1C ZINC000744629924 575350749 /nfs/dbraw/zinc/35/07/49/575350749.db2.gz KMXXTDINHKQVPI-CALCHBBNSA-N 0 0 324.424 3.406 20 10 DGCDRN C[C@@H](OC(=O)C1=CC(=O)CS1)c1nc(-c2ccccc2)no1 ZINC000745001877 575368518 /nfs/dbraw/zinc/36/85/18/575368518.db2.gz DJXMZLINFACRNL-SECBINFHSA-N 0 0 316.338 3.422 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CCC(C)(C)C2)cc1 ZINC000745656248 575408503 /nfs/dbraw/zinc/40/85/03/575408503.db2.gz RPVLDKVZWDHESK-UHFFFAOYSA-N 0 0 303.450 3.474 20 10 DGCDRN CC[C@H]1C[C@H](C)CN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000745788826 575417765 /nfs/dbraw/zinc/41/77/65/575417765.db2.gz ROYLHFLTOCMWDD-YOEHRIQHSA-N 0 0 315.461 3.399 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@H]2C[C@H]2C2CCCCC2)c1 ZINC000745819822 575418959 /nfs/dbraw/zinc/41/89/59/575418959.db2.gz GUIFUAVQWOJLOS-HOTGVXAUSA-N 0 0 318.417 3.169 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000745828141 575419251 /nfs/dbraw/zinc/41/92/51/575419251.db2.gz OMGHPAQNOJTUFC-ZFWWWQNUSA-N 0 0 303.450 3.391 20 10 DGCDRN CC[C@@H]1C[C@H](C)CN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000745839289 575420273 /nfs/dbraw/zinc/42/02/73/575420273.db2.gz WLPZWRCDENILFE-DOTOQJQBSA-N 0 0 313.445 3.393 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@]1(C)c1ccccc1 ZINC000745858159 575420433 /nfs/dbraw/zinc/42/04/33/575420433.db2.gz ORSFIYONMKHBJP-IEBWSBKVSA-N 0 0 310.397 3.264 20 10 DGCDRN CCN(CC(=O)NCc1ccccc1C)c1ccc(OC)cc1 ZINC000746110001 575433237 /nfs/dbraw/zinc/43/32/37/575433237.db2.gz ZLSWDSASWGPIHD-UHFFFAOYSA-N 0 0 312.413 3.146 20 10 DGCDRN CCOc1ccc(N(CC)Cc2ccoc2C(=O)OC)cc1 ZINC000746158715 575436878 /nfs/dbraw/zinc/43/68/78/575436878.db2.gz FOFBIILLYWOPGO-UHFFFAOYSA-N 0 0 303.358 3.491 20 10 DGCDRN CCOc1ccc(N(CC)CC(=O)NCc2cccs2)cc1 ZINC000746159745 575436928 /nfs/dbraw/zinc/43/69/28/575436928.db2.gz ZOJWDFPIYWYAHJ-UHFFFAOYSA-N 0 0 318.442 3.290 20 10 DGCDRN Cc1ccc(CCC(=O)NCCCSc2nccs2)o1 ZINC000746603266 575464140 /nfs/dbraw/zinc/46/41/40/575464140.db2.gz LVBRLGYNAXBLPT-UHFFFAOYSA-N 0 0 310.444 3.276 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)c(Cl)n1 ZINC000746803406 575476068 /nfs/dbraw/zinc/47/60/68/575476068.db2.gz XHJVTQRZUPDDAN-UHFFFAOYSA-N 0 0 321.783 3.179 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3ccc(Cl)o3)ccc21 ZINC000746811521 575476079 /nfs/dbraw/zinc/47/60/79/575476079.db2.gz JVJODNSOMTURDX-UHFFFAOYSA-N 0 0 304.777 3.245 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N(C)Cc2ccc[nH]2)cc1 ZINC000747495756 575521392 /nfs/dbraw/zinc/52/13/92/575521392.db2.gz OAWIQRCPMZHGLL-UHFFFAOYSA-N 0 0 314.433 3.203 20 10 DGCDRN C[C@H]1CCC[C@H](C)C1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000747864259 575546681 /nfs/dbraw/zinc/54/66/81/575546681.db2.gz MIIIUCXFRZRWLJ-KBPBESRZSA-N 0 0 303.450 3.377 20 10 DGCDRN Cc1ccc2c(c1)N(C(=O)/C=C/c1cncc(F)c1)C[C@H](C)O2 ZINC000747896792 575549973 /nfs/dbraw/zinc/54/99/73/575549973.db2.gz XUELAJUPZIJLQM-BPJJOFIESA-N 0 0 312.344 3.356 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000748438367 575586496 /nfs/dbraw/zinc/58/64/96/575586496.db2.gz JQXCCBWLLOQYEW-UHFFFAOYSA-N 0 0 321.720 3.276 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c[nH]c2ncccc12 ZINC000748724490 575603006 /nfs/dbraw/zinc/60/30/06/575603006.db2.gz DGEVHAZORRJBOT-UHFFFAOYSA-N 0 0 322.412 3.291 20 10 DGCDRN Cc1cccc(CCNC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000749184971 575633607 /nfs/dbraw/zinc/63/36/07/575633607.db2.gz FOSVFODDJWHEMC-UHFFFAOYSA-N 0 0 311.429 3.103 20 10 DGCDRN Cc1cc(NC(=O)NCc2c(O)ccc3c2CCCC3)sn1 ZINC000749232373 575636960 /nfs/dbraw/zinc/63/69/60/575636960.db2.gz QKCFJYKVWXMWHT-UHFFFAOYSA-N 0 0 317.414 3.358 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCc1cccc(F)n1 ZINC000749235266 575637523 /nfs/dbraw/zinc/63/75/23/575637523.db2.gz FSYRSWWHHGIUMQ-UHFFFAOYSA-N 0 0 317.364 3.048 20 10 DGCDRN Cc1cc(NC(=O)NCc2ccc(N3CC=CC3)cc2)sn1 ZINC000749242226 575638089 /nfs/dbraw/zinc/63/80/89/575638089.db2.gz ZEOJVCHXDTVBTG-UHFFFAOYSA-N 0 0 314.414 3.149 20 10 DGCDRN CCCC(O)(CCC)CC(=O)NCc1ccc(N(C)C)cc1C ZINC000749238534 575638158 /nfs/dbraw/zinc/63/81/58/575638158.db2.gz ACKGIJXINOUEMY-UHFFFAOYSA-N 0 0 320.477 3.399 20 10 DGCDRN C[C@@H](NC(=O)CCC1CCC1)c1ccc(N2CCOCC2)cc1 ZINC000749357933 575647667 /nfs/dbraw/zinc/64/76/67/575647667.db2.gz AETHULANCMRKQP-OAHLLOKOSA-N 0 0 316.445 3.281 20 10 DGCDRN CC[C@H](NC(=O)C1=CC(=O)CS1)c1cccc([N+](=O)[O-])c1 ZINC000749545583 575664303 /nfs/dbraw/zinc/66/43/03/575664303.db2.gz PAPKKMIRRSJVHR-LBPRGKRZSA-N 0 0 306.343 3.243 20 10 DGCDRN CCO[C@@H]1C[C@H](NC(=O)NCc2ccccc2O)C1(CC)CC ZINC000749559412 575665172 /nfs/dbraw/zinc/66/51/72/575665172.db2.gz RYISOFVFQDVPHG-JKSUJKDBSA-N 0 0 320.433 3.175 20 10 DGCDRN CNC(=S)N(C)Cc1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000749830228 575681540 /nfs/dbraw/zinc/68/15/40/575681540.db2.gz BJTMOOOUPMCVIT-UHFFFAOYSA-N 0 0 317.458 3.039 20 10 DGCDRN CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])C[C@@H]1CCOC1 ZINC000750046907 575700056 /nfs/dbraw/zinc/70/00/56/575700056.db2.gz IDTFCHDYJPDUPO-LBPRGKRZSA-N 0 0 311.809 3.107 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CC(C)(C)OCC2(C)C)c1O ZINC000750819971 575754150 /nfs/dbraw/zinc/75/41/50/575754150.db2.gz LGYHGQUZFMYPAM-UHFFFAOYSA-N 0 0 309.381 3.123 20 10 DGCDRN Oc1ccccc1CNC(=S)NC12CC3CC(CC(C3)C1)C2 ZINC000751007376 575766975 /nfs/dbraw/zinc/76/69/75/575766975.db2.gz CSKNZILXVBMICG-UHFFFAOYSA-N 0 0 316.470 3.325 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)CC[C@H]2CCOC2)C2CC2)cc1 ZINC000751228508 575776124 /nfs/dbraw/zinc/77/61/24/575776124.db2.gz VAJOLWPJKNYXJB-INIZCTEOSA-N 0 0 316.445 3.060 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1cccnc1 ZINC000751306819 575779327 /nfs/dbraw/zinc/77/93/27/575779327.db2.gz YTLLEBAYWQATRD-UHFFFAOYSA-N 0 0 315.336 3.044 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)[C@@H]1C[C@H]1C1CC1 ZINC000751306037 575779429 /nfs/dbraw/zinc/77/94/29/575779429.db2.gz OPGZCXXLYIHWAY-UONOGXRCSA-N 0 0 318.380 3.381 20 10 DGCDRN CN1CCc2cc(/C=C3\N=C(c4ccccc4)OC3=O)ccc21 ZINC000751523197 575788429 /nfs/dbraw/zinc/78/84/29/575788429.db2.gz KXKVHYJGCAQLRM-VBKFSLOCSA-N 0 0 304.349 3.023 20 10 DGCDRN COc1ccc(N(C)Cc2nc(C3CCCC3)no2)cc1OC ZINC000751964276 575814989 /nfs/dbraw/zinc/81/49/89/575814989.db2.gz AVZDCGHWOBSIEH-UHFFFAOYSA-N 0 0 317.389 3.381 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@H](C)[C@@H](C)C2)cc1F ZINC000752010349 575818005 /nfs/dbraw/zinc/81/80/05/575818005.db2.gz OUDRDUJTKYFCHZ-KBPBESRZSA-N 0 0 321.440 3.469 20 10 DGCDRN CCOc1ccc(CN(C)c2ccc(OC)cc2OC)nc1 ZINC000752110450 575823623 /nfs/dbraw/zinc/82/36/23/575823623.db2.gz IZKFXCZZOAIVNV-UHFFFAOYSA-N 0 0 302.374 3.134 20 10 DGCDRN CCSc1ccc(CC(=O)NCc2ccccc2O)cc1 ZINC000752130204 575824270 /nfs/dbraw/zinc/82/42/70/575824270.db2.gz QVVVBFIENISDMN-UHFFFAOYSA-N 0 0 301.411 3.363 20 10 DGCDRN CCC/C=C/C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000752151508 575824936 /nfs/dbraw/zinc/82/49/36/575824936.db2.gz JCYFEULXWFXJBE-VBGPOXQHSA-N 0 0 303.402 3.256 20 10 DGCDRN O=C(NCCCSc1nccs1)c1cccnc1C1CC1 ZINC000752353620 575833360 /nfs/dbraw/zinc/83/33/60/575833360.db2.gz YVJTWVBJOKTONF-UHFFFAOYSA-N 0 0 319.455 3.328 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCCS2)cc1F ZINC000743345954 575908889 /nfs/dbraw/zinc/90/88/89/575908889.db2.gz XUIDVNYZEYQLPN-OAHLLOKOSA-N 0 0 310.438 3.184 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OCc1cnccn1 ZINC000744165669 575921182 /nfs/dbraw/zinc/92/11/82/575921182.db2.gz PGUJKCXTBAMZLR-UHFFFAOYSA-N 0 0 313.382 3.303 20 10 DGCDRN C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000725847308 575929247 /nfs/dbraw/zinc/92/92/47/575929247.db2.gz ZQHVJGXOARJMGG-IINYFYTJSA-N 0 0 302.330 3.307 20 10 DGCDRN Cc1ccc2c(CCNC(=O)NCc3ccccc3O)c[nH]c2c1 ZINC000726251234 576014237 /nfs/dbraw/zinc/01/42/37/576014237.db2.gz URFJYETYJJNNAN-UHFFFAOYSA-N 0 0 323.396 3.224 20 10 DGCDRN COc1ccc(NC(=S)NCc2ccccc2O)cc1F ZINC000726487305 576026861 /nfs/dbraw/zinc/02/68/61/576026861.db2.gz CPULCHHZKRBVCQ-UHFFFAOYSA-N 0 0 306.362 3.027 20 10 DGCDRN Oc1cc2c(cc1CN1CCCc3ccc(F)cc31)OCO2 ZINC000726589162 576031656 /nfs/dbraw/zinc/03/16/56/576031656.db2.gz QYUPSUXNDIGVOA-UHFFFAOYSA-N 0 0 301.317 3.213 20 10 DGCDRN Cc1cc(C[N@@H+]2CCC[C@H](C(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC000738382363 576085594 /nfs/dbraw/zinc/08/55/94/576085594.db2.gz HBVGPAQVZHMYMW-ZDUSSCGKSA-N 0 0 305.418 3.295 20 10 DGCDRN CSc1ccc(COC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000727004972 576093826 /nfs/dbraw/zinc/09/38/26/576093826.db2.gz ASSBACXRAJNZLH-UHFFFAOYSA-N 0 0 304.367 3.485 20 10 DGCDRN CC[C@@H](C)Oc1cc(C=C2SC(=S)NC2=O)ccc1OC ZINC000749452932 576095783 /nfs/dbraw/zinc/09/57/83/576095783.db2.gz QMZOPILILVUZPV-PGEKAQRJSA-N 0 0 323.439 3.361 20 10 DGCDRN CCNC(=O)CNc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000727092713 576106992 /nfs/dbraw/zinc/10/69/92/576106992.db2.gz XRXQFVQDJYAZLB-UHFFFAOYSA-N 0 0 316.788 3.119 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)CCOCC(F)(F)F ZINC000727168615 576110814 /nfs/dbraw/zinc/11/08/14/576110814.db2.gz RTWXKLQZYACVEZ-UHFFFAOYSA-N 0 0 319.323 3.100 20 10 DGCDRN O=C1Nc2ccccc2/C1=C\c1ccc(N2CCOCC2)c(F)c1 ZINC000727264556 576115691 /nfs/dbraw/zinc/11/56/91/576115691.db2.gz WMVCVZZUEYBIEP-RVDMUPIBSA-N 0 0 324.355 3.155 20 10 DGCDRN COc1cccc(CNc2nnc(C)cc2C(F)(F)F)c1O ZINC000727432467 576125632 /nfs/dbraw/zinc/12/56/32/576125632.db2.gz NBBGPJWFPQPLQS-UHFFFAOYSA-N 0 0 313.279 3.130 20 10 DGCDRN COc1cccc(CNC(=O)c2ccc(C(C)C)cc2O)c1O ZINC000727763988 576143625 /nfs/dbraw/zinc/14/36/25/576143625.db2.gz RNARHXNEUVSFNK-UHFFFAOYSA-N 0 0 315.369 3.160 20 10 DGCDRN CC(=C\c1ccccc1)/C=C1\C(=O)NN(c2ccccc2)C1=O ZINC000728696739 576195752 /nfs/dbraw/zinc/19/57/52/576195752.db2.gz BPZSSABPRQNAQV-SWZGKVDCSA-N 0 0 304.349 3.094 20 10 DGCDRN CC1(NC(=O)NCc2ccc(N3CCCC3)cc2)CCCC1 ZINC000728745283 576197901 /nfs/dbraw/zinc/19/79/01/576197901.db2.gz QXQCEANQAADZJV-UHFFFAOYSA-N 0 0 301.434 3.419 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N3CCC[C@@H]3C3CC3)ccc21 ZINC000728748726 576198501 /nfs/dbraw/zinc/19/85/01/576198501.db2.gz ZBVONAWYEJFRNQ-GOSISDBHSA-N 0 0 313.445 3.153 20 10 DGCDRN CC(C)c1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1 ZINC000916590248 620637366 /nfs/dbraw/zinc/63/73/66/620637366.db2.gz RPILFTGXNFWYFC-UHFFFAOYSA-N 0 0 314.337 3.261 20 10 DGCDRN Cc1cc(C)c(C(=O)OCC(=O)c2ccc(O)c(O)c2)c(C)c1 ZINC000916591098 620637375 /nfs/dbraw/zinc/63/73/75/620637375.db2.gz PRZSHBVBKPKLLO-UHFFFAOYSA-N 0 0 314.337 3.063 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCC[C@H](O)C2)cc1 ZINC000917341441 620665347 /nfs/dbraw/zinc/66/53/47/620665347.db2.gz SKCBLEKRGHVNHB-AEFFLSMTSA-N 0 0 312.413 3.127 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)CSCc1ccc(F)cc1 ZINC000917307353 620664071 /nfs/dbraw/zinc/66/40/71/620664071.db2.gz JQLCZHOKXLNDLD-UHFFFAOYSA-N 0 0 319.401 3.423 20 10 DGCDRN Cc1cc(CC(=O)OC[C@@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000853098574 620668488 /nfs/dbraw/zinc/66/84/88/620668488.db2.gz KPSGIOMCMQTRMY-MRXNPFEDSA-N 0 0 313.397 3.216 20 10 DGCDRN CC(C)C1(CNC(=O)NCCCSc2nccs2)CC1 ZINC000154400780 620670012 /nfs/dbraw/zinc/67/00/12/620670012.db2.gz UFUDSFXZSOAZSB-UHFFFAOYSA-N 0 0 313.492 3.361 20 10 DGCDRN COc1cc(C)ccc1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000918000558 620692883 /nfs/dbraw/zinc/69/28/83/620692883.db2.gz YMNXDZGGZKCNRS-UHFFFAOYSA-N 0 0 313.401 3.391 20 10 DGCDRN CNC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000918019912 620693622 /nfs/dbraw/zinc/69/36/22/620693622.db2.gz KJYWSWOWTHQYJJ-UHFFFAOYSA-N 0 0 307.191 3.216 20 10 DGCDRN C[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1CC1 ZINC000918059252 620695633 /nfs/dbraw/zinc/69/56/33/620695633.db2.gz NSYNTZCWCJSUQF-ZDUSSCGKSA-N 0 0 301.434 3.225 20 10 DGCDRN COC(=O)c1nccc(Sc2ncc(C(C)(C)C)s2)n1 ZINC000853447095 620695654 /nfs/dbraw/zinc/69/56/54/620695654.db2.gz QYMZCXMMMPMWBO-UHFFFAOYSA-N 0 0 309.416 3.168 20 10 DGCDRN C[C@H]1C[C@@H]1c1ccc(CNC(=O)N(C)Cc2ccccc2O)o1 ZINC000918077979 620696584 /nfs/dbraw/zinc/69/65/84/620696584.db2.gz KWLWZBLOXMOHMT-WFASDCNBSA-N 0 0 314.385 3.450 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000918077172 620696651 /nfs/dbraw/zinc/69/66/51/620696651.db2.gz WUOUSXUCMXWSOZ-ZIAGYGMSSA-N 0 0 318.442 3.189 20 10 DGCDRN CC[C@H](C)CN(C)C(=O)NCCCSc1nccs1 ZINC000154677619 620702761 /nfs/dbraw/zinc/70/27/61/620702761.db2.gz BDQWNYBQLIXRAQ-NSHDSACASA-N 0 0 301.481 3.313 20 10 DGCDRN O=C(NCCCSc1nccs1)N1CCC2(CCC2)C1 ZINC000154688961 620703522 /nfs/dbraw/zinc/70/35/22/620703522.db2.gz GKMRHNYCNBNPFP-UHFFFAOYSA-N 0 0 311.476 3.211 20 10 DGCDRN Cc1cc(CN2CCc3nccnc3C2)c(O)c(C(C)(C)C)c1 ZINC000853602949 620715183 /nfs/dbraw/zinc/71/51/83/620715183.db2.gz NUJSZQHJVBHYLA-UHFFFAOYSA-N 0 0 311.429 3.346 20 10 DGCDRN CCOCCNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000918602462 620716761 /nfs/dbraw/zinc/71/67/61/620716761.db2.gz JMVFRMUNBFLBIN-UHFFFAOYSA-N 0 0 300.402 3.169 20 10 DGCDRN CCCc1cc(C(=O)NCc2ccc(N(CC)CC)cc2)[nH]n1 ZINC000918624718 620716841 /nfs/dbraw/zinc/71/68/41/620716841.db2.gz DMVJPUAMXLKOLV-UHFFFAOYSA-N 0 0 314.433 3.138 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CC3CC2(C)C3)cc1F ZINC000853706409 620726828 /nfs/dbraw/zinc/72/68/28/620726828.db2.gz JTCLYIHGRWNRPU-UHFFFAOYSA-N 0 0 319.424 3.366 20 10 DGCDRN CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000840845601 617948181 /nfs/dbraw/zinc/94/81/81/617948181.db2.gz BZUCFLCHYGCKEV-LSKLOWJMSA-N 0 0 301.361 3.494 20 10 DGCDRN COc1ccc(N2CC[C@H](Nc3cc(Cl)nc(C)n3)C2)cc1 ZINC000853759271 620734556 /nfs/dbraw/zinc/73/45/56/620734556.db2.gz QMTCWSCGZVJMDA-LBPRGKRZSA-N 0 0 318.808 3.138 20 10 DGCDRN COc1ccc(N2CC[C@H](Nc3ncc(C(F)F)cn3)C2)cc1 ZINC000853761415 620734998 /nfs/dbraw/zinc/73/49/98/620734998.db2.gz SRXXEKVVTASPHV-LBPRGKRZSA-N 0 0 320.343 3.114 20 10 DGCDRN CC[C@H](C)N(CC)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000853775997 620736888 /nfs/dbraw/zinc/73/68/88/620736888.db2.gz JPWGROUJNUKMSL-HNNXBMFYSA-N 0 0 301.434 3.393 20 10 DGCDRN Cc1cc([N+](=O)[O-])ccc1NNC(=S)Nc1ccccc1F ZINC000806589558 617655993 /nfs/dbraw/zinc/65/59/93/617655993.db2.gz HSLNNTHXLCIMGU-UHFFFAOYSA-N 0 0 320.349 3.356 20 10 DGCDRN CCC[C@@H]1C[C@H](C(=O)NCc2cccc(Cl)c2O)CCO1 ZINC000890759720 617656439 /nfs/dbraw/zinc/65/64/39/617656439.db2.gz PFEITYYMZVZFEO-DGCLKSJQSA-N 0 0 311.809 3.257 20 10 DGCDRN Cc1csc([C@@H](C)C(=O)NCc2cccc(Cl)c2O)n1 ZINC000890759489 617656569 /nfs/dbraw/zinc/65/65/69/617656569.db2.gz LJAZADOAUBXMDY-VIFPVBQESA-N 0 0 310.806 3.230 20 10 DGCDRN CC(C)Oc1cncc(C(=O)NCc2cccc(Cl)c2O)c1 ZINC000890760663 617657134 /nfs/dbraw/zinc/65/71/34/617657134.db2.gz VHQQURBUXUQKPG-UHFFFAOYSA-N 0 0 320.776 3.158 20 10 DGCDRN O=C(C[C@@H]1CCC2(CCC2)CO1)NCc1cccc(Cl)c1O ZINC000890763204 617658379 /nfs/dbraw/zinc/65/83/79/617658379.db2.gz RNGMDQGNKVXFFQ-ZDUSSCGKSA-N 0 0 323.820 3.401 20 10 DGCDRN CC(C)[C@@H]1C[C@H](C(=O)NCc2cccc(Cl)c2O)CCO1 ZINC000890762871 617658480 /nfs/dbraw/zinc/65/84/80/617658480.db2.gz KNAWLXTTYQBSJY-RISCZKNCSA-N 0 0 311.809 3.113 20 10 DGCDRN Cc1cc(C)c(C(=O)NCc2cc(Br)ccc2O)o1 ZINC000804736682 617661812 /nfs/dbraw/zinc/66/18/12/617661812.db2.gz YTNXTXCPTINWQI-UHFFFAOYSA-N 0 0 324.174 3.295 20 10 DGCDRN CCC[C@H](C)C(=O)NCc1cc(Br)ccc1O ZINC000804736385 617661953 /nfs/dbraw/zinc/66/19/53/617661953.db2.gz UQLAKZNAETTXSE-VIFPVBQESA-N 0 0 300.196 3.207 20 10 DGCDRN O=C(NCc1cc(Br)ccc1O)c1ccc(F)cc1 ZINC000804736976 617662019 /nfs/dbraw/zinc/66/20/19/617662019.db2.gz HGWMEXKNFTWOPC-UHFFFAOYSA-N 0 0 324.149 3.224 20 10 DGCDRN CC[C@H](C)[C@H](C)C(=O)NCc1cc(Br)ccc1O ZINC000804739788 617662430 /nfs/dbraw/zinc/66/24/30/617662430.db2.gz SYSCKNROXHQTHF-UWVGGRQHSA-N 0 0 314.223 3.453 20 10 DGCDRN CC1(C)CC(C(=O)NCc2cc(Br)ccc2O)C1 ZINC000804738961 617662688 /nfs/dbraw/zinc/66/26/88/617662688.db2.gz KRNPUMPZGYORDA-UHFFFAOYSA-N 0 0 312.207 3.207 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H]1COCCO1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806132381 617668313 /nfs/dbraw/zinc/66/83/13/617668313.db2.gz VPHMFWBEJMKFCI-ZWNOBZJWSA-N 0 0 320.216 3.155 20 10 DGCDRN OC1CCN(c2ccc(CNc3ccnc(Cl)c3)cc2)CC1 ZINC000853955152 620756919 /nfs/dbraw/zinc/75/69/19/620756919.db2.gz HSIIJVKWRCBVEN-UHFFFAOYSA-N 0 0 317.820 3.308 20 10 DGCDRN COC(=O)c1cnc(NCc2ccc(N3CCCC3)cc2)s1 ZINC000891796774 617900995 /nfs/dbraw/zinc/90/09/95/617900995.db2.gz PSORUZARPKEZSF-UHFFFAOYSA-N 0 0 317.414 3.142 20 10 DGCDRN Cc1noc(C2CC2)c1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000155083069 620765198 /nfs/dbraw/zinc/76/51/98/620765198.db2.gz DPXFQYHJYAQPDF-UHFFFAOYSA-N 0 0 314.389 3.248 20 10 DGCDRN COc1ccc(N2CCC(Nc3nccc4nc[nH]c43)CC2)cc1 ZINC000892268358 618004050 /nfs/dbraw/zinc/00/40/50/618004050.db2.gz BPHBZPKTSPFKDW-UHFFFAOYSA-N 0 0 323.400 3.047 20 10 DGCDRN C[C@H]1CCC[C@@H](CNC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000919896655 620771126 /nfs/dbraw/zinc/77/11/26/620771126.db2.gz HODOCISTJIETSR-GOEBONIOSA-N 0 0 303.450 3.378 20 10 DGCDRN Cc1cc(O)c(CN[C@H](C)c2nnc3ccccn32)c(Cl)c1 ZINC000840871396 618044906 /nfs/dbraw/zinc/04/49/06/618044906.db2.gz DZZINOOFJFQRSW-LLVKDONJSA-N 0 0 316.792 3.248 20 10 DGCDRN O=[N+]([O-])c1ccc2c(c1)N(Cc1c(O)ccc3ccncc31)CC2 ZINC000919946912 620773943 /nfs/dbraw/zinc/77/39/43/620773943.db2.gz COULINYEHKJBFV-UHFFFAOYSA-N 0 0 321.336 3.411 20 10 DGCDRN C[C@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1CC1 ZINC000920053454 620780174 /nfs/dbraw/zinc/78/01/74/620780174.db2.gz DWNRCVVXVUPDFA-CQSZACIVSA-N 0 0 315.461 3.473 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCCc1cc(F)cc(F)c1 ZINC000155149130 620776191 /nfs/dbraw/zinc/77/61/91/620776191.db2.gz QMLFYCKNLKDFMQ-UHFFFAOYSA-N 0 0 320.339 3.055 20 10 DGCDRN COC(=O)c1sccc1CNCc1ccc(N(C)C)c(F)c1 ZINC000892738115 618151427 /nfs/dbraw/zinc/15/14/27/618151427.db2.gz RFWXXLHHLVYQRO-UHFFFAOYSA-N 0 0 322.405 3.030 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H]1CCCCO1 ZINC000920348837 620795791 /nfs/dbraw/zinc/79/57/91/620795791.db2.gz SNKYYOBUOFJLML-AWEZNQCLSA-N 0 0 318.442 3.455 20 10 DGCDRN COc1cc(C)cc(CNc2ccc3c(c2)C[C@@H](OC)C3)c1O ZINC000894446236 618335899 /nfs/dbraw/zinc/33/58/99/618335899.db2.gz UDRTUUFBDDOTBV-KRWDZBQOSA-N 0 0 313.397 3.435 20 10 DGCDRN COc1cc(C)cc(CN[C@@H]2COc3cc(F)cc(F)c32)c1O ZINC000894448954 618337523 /nfs/dbraw/zinc/33/75/23/618337523.db2.gz NQITWVQMXMEGFN-CYBMUJFWSA-N 0 0 321.323 3.211 20 10 DGCDRN CCOC(=O)c1ccc(CNCc2ccc3c(c2)CCCO3)o1 ZINC000894465845 618343417 /nfs/dbraw/zinc/34/34/17/618343417.db2.gz RJUXOZIJTAQUOR-UHFFFAOYSA-N 0 0 315.369 3.071 20 10 DGCDRN COc1ccc(N2CC[C@H](Nc3cc(C(F)F)ncn3)C2)cc1 ZINC000894485490 618352189 /nfs/dbraw/zinc/35/21/89/618352189.db2.gz OMQFIBGUAQCFKC-NSHDSACASA-N 0 0 320.343 3.114 20 10 DGCDRN COc1ccc(CNc2cc(C3CC3)ccn2)c(O)c1OC ZINC000894552380 618383542 /nfs/dbraw/zinc/38/35/42/618383542.db2.gz JELLUQCOSISTDH-UHFFFAOYSA-N 0 0 300.358 3.294 20 10 DGCDRN CSCC(C)(C)NC(=O)NCc1ccc(N(C)C)cc1C ZINC000893054183 618406532 /nfs/dbraw/zinc/40/65/32/618406532.db2.gz VQXZQEVRSLRUOX-UHFFFAOYSA-N 0 0 309.479 3.002 20 10 DGCDRN COc1cc(C)cc(CNc2ccc(OC(F)F)nc2)c1O ZINC000894685524 618422827 /nfs/dbraw/zinc/42/28/27/618422827.db2.gz DEQAXQRVFMCEEI-UHFFFAOYSA-N 0 0 310.300 3.318 20 10 DGCDRN COc1ccc(CNc2ccc(SC)cn2)c(O)c1OC ZINC000893141727 618444336 /nfs/dbraw/zinc/44/43/36/618444336.db2.gz XKGUSTMFTIFVMH-UHFFFAOYSA-N 0 0 306.387 3.138 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000894885370 618488059 /nfs/dbraw/zinc/48/80/59/618488059.db2.gz BPDXNFGRTRKGGN-FVQBIDKESA-N 0 0 311.372 3.186 20 10 DGCDRN CC[C@H]([NH2+][C@H](CCO)COC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775510300 618501962 /nfs/dbraw/zinc/50/19/62/618501962.db2.gz ZWPJNKAMTVIWJL-SKDRFNHKSA-N 0 0 322.232 3.137 20 10 DGCDRN Cc1ccc(CC[C@@H](C)NC(=O)NCc2c(O)cccc2F)o1 ZINC000920625195 620811669 /nfs/dbraw/zinc/81/16/69/620811669.db2.gz KDXPIWPBEDXVAL-LLVKDONJSA-N 0 0 320.364 3.253 20 10 DGCDRN C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)cc(F)c2[O-])CCN1C ZINC000775717193 618516986 /nfs/dbraw/zinc/51/69/86/618516986.db2.gz NOHBLMFXBGAEGZ-MFKMUULPSA-N 0 0 300.805 3.099 20 10 DGCDRN Cc1cc(C(=O)OCCCO)c(C)n1-c1cccc(Cl)c1 ZINC000920662393 620813206 /nfs/dbraw/zinc/81/32/06/620813206.db2.gz OADCXXVRGTVKEA-UHFFFAOYSA-N 0 0 307.777 3.287 20 10 DGCDRN CC/C=C(/F)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000866900149 618530474 /nfs/dbraw/zinc/53/04/74/618530474.db2.gz UFYZFFHZITXQQI-SMCAMXITSA-N 0 0 307.365 3.163 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000840958112 618634403 /nfs/dbraw/zinc/63/44/03/618634403.db2.gz NOCJKOSOCYOZGS-HOCLYGCPSA-N 0 0 303.789 3.354 20 10 DGCDRN C[C@H](O)CC[N@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000894033269 618696009 /nfs/dbraw/zinc/69/60/09/618696009.db2.gz FNFAXPLJQFYJKD-QMMMGPOBSA-N 0 0 322.630 3.011 20 10 DGCDRN COCCOc1ccccc1NCc1cc(C)cc(OC)c1O ZINC000894122833 618715347 /nfs/dbraw/zinc/71/53/47/618715347.db2.gz ZGAAWBFHDLCIHS-UHFFFAOYSA-N 0 0 317.385 3.347 20 10 DGCDRN COc1cc(C)cc(CNc2ccc3c(c2)CCC(=O)N3)c1O ZINC000894139900 618719003 /nfs/dbraw/zinc/71/90/03/618719003.db2.gz XUPNMLAHDAEVIJ-UHFFFAOYSA-N 0 0 312.369 3.206 20 10 DGCDRN Nc1ccc(CNC(=O)Cc2ccc(SC3CC3)cc2)cc1 ZINC000927768433 618723871 /nfs/dbraw/zinc/72/38/71/618723871.db2.gz QLZYSXQVMGPUHN-UHFFFAOYSA-N 0 0 312.438 3.382 20 10 DGCDRN CC(C)[C@H](O)C1(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000790991412 618732710 /nfs/dbraw/zinc/73/27/10/618732710.db2.gz WWIMKTYGLHFUFS-AWEZNQCLSA-N 0 0 301.789 3.071 20 10 DGCDRN CC(C)COCCCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895577518 618801431 /nfs/dbraw/zinc/80/14/31/618801431.db2.gz MFMKKWGEDATMNK-UHFFFAOYSA-N 0 0 323.414 3.105 20 10 DGCDRN CCN(CCNC(=O)Nc1ccc(N)cc1)c1ccccc1C ZINC000841301839 618805059 /nfs/dbraw/zinc/80/50/59/618805059.db2.gz FNUXXFFVAUGHSI-UHFFFAOYSA-N 0 0 312.417 3.225 20 10 DGCDRN COc1cc(Cl)cc(CNC2(c3ncccn3)CCC2)c1O ZINC000895622033 618808408 /nfs/dbraw/zinc/80/84/08/618808408.db2.gz FPFWSDFKYUUCGD-UHFFFAOYSA-N 0 0 319.792 3.013 20 10 DGCDRN CC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCCOC1 ZINC000895661350 618813898 /nfs/dbraw/zinc/81/38/98/618813898.db2.gz ABKAPFGPFANIIG-YGRLFVJLSA-N 0 0 301.789 3.480 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000895867243 618844363 /nfs/dbraw/zinc/84/43/63/618844363.db2.gz BTXYHAMYEIVFKC-UHFFFAOYSA-N 0 0 313.800 3.360 20 10 DGCDRN O=C(NC[C@H]1CC=CCC1)c1cc2cc(O)c(O)cc2s1 ZINC000895902664 618847661 /nfs/dbraw/zinc/84/76/61/618847661.db2.gz JKTAVCGODVZUBH-JTQLQIEISA-N 0 0 303.383 3.399 20 10 DGCDRN Cn1ccc(C2CC[NH+](Cc3cc(Cl)c(F)cc3[O-])CC2)n1 ZINC000896494575 618920382 /nfs/dbraw/zinc/92/03/82/618920382.db2.gz IMQKUELIZGKNAN-UHFFFAOYSA-N 0 0 323.799 3.298 20 10 DGCDRN COc1ccc(CC[C@@H](C)[NH2+]Cc2c([O-])cccc2F)cc1O ZINC000896638648 618939672 /nfs/dbraw/zinc/93/96/72/618939672.db2.gz XCNKBDFVUYLRSD-GFCCVEGCSA-N 0 0 319.376 3.356 20 10 DGCDRN CC(C)(C)OC(=O)N1CCC([NH2+]Cc2c([O-])cccc2F)CC1 ZINC000896638934 618939736 /nfs/dbraw/zinc/93/97/36/618939736.db2.gz ZJEFNFCSCZDGKU-UHFFFAOYSA-N 0 0 324.396 3.020 20 10 DGCDRN CCO[P@@](C)(=O)CC[C@H](C)[NH2+]Cc1c([O-])cccc1F ZINC000896637523 618939828 /nfs/dbraw/zinc/93/98/28/618939828.db2.gz JWFKQHJDGUWZIG-PRWKNARSSA-N 0 0 303.314 3.344 20 10 DGCDRN CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1c([O-])cccc1F ZINC000896637524 618939981 /nfs/dbraw/zinc/93/99/81/618939981.db2.gz JWFKQHJDGUWZIG-YBTHPKLGSA-N 0 0 303.314 3.344 20 10 DGCDRN Oc1cc2c(cc1CNCC(F)(F)c1ccccc1)OCO2 ZINC000788970738 625308145 /nfs/dbraw/zinc/30/81/45/625308145.db2.gz VKYKPUVOPGXOFR-UHFFFAOYSA-N 0 0 307.296 3.003 20 10 DGCDRN CCCN(CCC)c1ccc(CN[C@@H](C)c2ncnn2C)cc1 ZINC000788971099 625308447 /nfs/dbraw/zinc/30/84/47/625308447.db2.gz FSBMIKOFBQBWNS-HNNXBMFYSA-N 0 0 315.465 3.292 20 10 DGCDRN Oc1ccc(Cl)cc1CN1CCn2nc(C3CC3)cc2C1 ZINC000896939998 618990253 /nfs/dbraw/zinc/99/02/53/618990253.db2.gz SFWPHIRMOAGSPI-UHFFFAOYSA-N 0 0 303.793 3.135 20 10 DGCDRN [O-]c1c(C[NH2+]CC[C@@H]2OCCc3ccccc32)ccc(F)c1F ZINC000897232334 619032745 /nfs/dbraw/zinc/03/27/45/619032745.db2.gz QORIAJQWEDNBEV-INIZCTEOSA-N 0 0 319.351 3.464 20 10 DGCDRN Cn1nc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])cc1C1CC1 ZINC000897231415 619033259 /nfs/dbraw/zinc/03/32/59/619033259.db2.gz DSDKONHYRBXWES-UHFFFAOYSA-N 0 0 309.772 3.085 20 10 DGCDRN COc1cccc([C@@H](C)CC(=O)NCc2c(O)cccc2F)c1 ZINC000928705631 619058700 /nfs/dbraw/zinc/05/87/00/619058700.db2.gz MKAYJHAXSVYKGD-LBPRGKRZSA-N 0 0 317.360 3.350 20 10 DGCDRN CCn1cnc2c1CCN(Cc1c(O)cc(C)cc1Cl)C2 ZINC000897333755 619061213 /nfs/dbraw/zinc/06/12/13/619061213.db2.gz NGIZVGFJFUXDIS-UHFFFAOYSA-N 0 0 305.809 3.129 20 10 DGCDRN O=C(NCC[C@H]1CCCCO1)c1cc2cc(O)c(O)cc2s1 ZINC000897350081 619069594 /nfs/dbraw/zinc/06/95/94/619069594.db2.gz ZMLFNSPKLSWXMX-LLVKDONJSA-N 0 0 321.398 3.002 20 10 DGCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCCC2(CC2)C1 ZINC000897421762 619110197 /nfs/dbraw/zinc/11/01/97/619110197.db2.gz OTJGSRLJZIVUJF-UHFFFAOYSA-N 0 0 303.383 3.329 20 10 DGCDRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccc(N)cc1 ZINC000204173083 619136689 /nfs/dbraw/zinc/13/66/89/619136689.db2.gz PBRPIUPQRJFJQZ-FHLIZLRMSA-N 0 0 318.461 3.362 20 10 DGCDRN C[C@H]1CCSCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897554288 619158886 /nfs/dbraw/zinc/15/88/86/619158886.db2.gz BXPFBTKFQRLMPZ-VIFPVBQESA-N 0 0 323.439 3.280 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000841758421 619163792 /nfs/dbraw/zinc/16/37/92/619163792.db2.gz MBQQTQOOSGNIBJ-JSGCOSHPSA-N 0 0 305.805 3.472 20 10 DGCDRN C[C@H]([NH2+]CC1(N(C)C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000841763964 619166443 /nfs/dbraw/zinc/16/64/43/619166443.db2.gz TZPMCKCRICZBBK-JTQLQIEISA-N 0 0 302.340 3.156 20 10 DGCDRN C[C@@H]([NH2+]CC1(N(C)C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000841763969 619166485 /nfs/dbraw/zinc/16/64/85/619166485.db2.gz TZPMCKCRICZBBK-SNVBAGLBSA-N 0 0 302.340 3.156 20 10 DGCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(F)(F)CC1 ZINC000897627724 619168596 /nfs/dbraw/zinc/16/85/96/619168596.db2.gz RYUIURPNISKOJM-UHFFFAOYSA-N 0 0 313.325 3.184 20 10 DGCDRN COc1c(O)c(CNc2cncc(C(C)C)c2)ccc1[N+](=O)[O-] ZINC000897706829 619174254 /nfs/dbraw/zinc/17/42/54/619174254.db2.gz ALEYIUKGTAAQCG-UHFFFAOYSA-N 0 0 317.345 3.440 20 10 DGCDRN COc1cc(O)c(CNc2ccc(C3CC3)cn2)cc1OC ZINC000897713138 619175632 /nfs/dbraw/zinc/17/56/32/619175632.db2.gz YCVMYRDFOZLITI-UHFFFAOYSA-N 0 0 300.358 3.294 20 10 DGCDRN CCN(C)c1ccc(Cn2cc(-c3cnn(C(C)C)c3)nn2)cc1 ZINC000881314065 625324496 /nfs/dbraw/zinc/32/44/96/625324496.db2.gz ZXQBMXNHMNEKJJ-UHFFFAOYSA-N 0 0 324.432 3.227 20 10 DGCDRN C[C@H](CC(N)=O)c1ccc(NCc2ccc(N(C)C)cc2)cc1 ZINC000897836881 619186604 /nfs/dbraw/zinc/18/66/04/619186604.db2.gz NAOGMASVXDNIOU-CQSZACIVSA-N 0 0 311.429 3.344 20 10 DGCDRN CC(C)(C)C1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897946935 619197674 /nfs/dbraw/zinc/19/76/74/619197674.db2.gz ZWNLGWWGXQFIFN-UHFFFAOYSA-N 0 0 305.399 3.431 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC000898067421 619210851 /nfs/dbraw/zinc/21/08/51/619210851.db2.gz DGIMHFSJXDBYPZ-SNVBAGLBSA-N 0 0 310.369 3.192 20 10 DGCDRN C[C@@]1(Br)C[C@H]1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898215798 619222247 /nfs/dbraw/zinc/22/22/47/619222247.db2.gz QYAKPMISRWYEOD-JOYOIKCWSA-N 0 0 304.615 3.309 20 10 DGCDRN O=C(C[C@H]1CCC2(CCC2)CO1)NCc1cc(Cl)ccc1O ZINC000898277322 619231484 /nfs/dbraw/zinc/23/14/84/619231484.db2.gz MSNKQYUUIGVCJA-CQSZACIVSA-N 0 0 323.820 3.401 20 10 DGCDRN COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000898484590 619278912 /nfs/dbraw/zinc/27/89/12/619278912.db2.gz VULPXNAKANTXFL-KOLCDFICSA-N 0 0 315.772 3.006 20 10 DGCDRN [O-]c1c(C[N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)ccc(F)c1F ZINC000898512925 619282340 /nfs/dbraw/zinc/28/23/40/619282340.db2.gz NDWBKYFZNLBYRR-TZMCWYRMSA-N 0 0 311.372 3.309 20 10 DGCDRN C[C@H](NC(=O)N[C@@H](c1ccncc1)C1CC1)c1ccccc1O ZINC000898997511 619305706 /nfs/dbraw/zinc/30/57/06/619305706.db2.gz BVARQHAFQVFYNS-YVEFUNNKSA-N 0 0 311.385 3.299 20 10 DGCDRN C[C@H]1C[C@H](NC(=O)NCc2cc(Cl)ccc2O)CCS1 ZINC000927229552 619370054 /nfs/dbraw/zinc/37/00/54/619370054.db2.gz AITZTVILHAMNEJ-JOYOIKCWSA-N 0 0 314.838 3.129 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CCCC(=O)c2ccccc2)cc1 ZINC000899983876 619387188 /nfs/dbraw/zinc/38/71/88/619387188.db2.gz UMCYORIXKHTOOU-UHFFFAOYSA-N 0 0 324.424 3.422 20 10 DGCDRN CC[C@H](O)[C@H](C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000900029236 619393208 /nfs/dbraw/zinc/39/32/08/619393208.db2.gz SZPCXBWEBTUIHF-YJBOKZPZSA-N 0 0 318.461 3.042 20 10 DGCDRN CCC1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCOCC1 ZINC000901251766 619480270 /nfs/dbraw/zinc/48/02/70/619480270.db2.gz SZGSLIBIDNOPKC-UHFFFAOYSA-N 0 0 321.398 3.002 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1)c1ccc(F)cc1[O-] ZINC000903179567 619731364 /nfs/dbraw/zinc/73/13/64/619731364.db2.gz QRKWEUKMYXKFHD-IYYTYJHQSA-N 0 0 307.287 3.292 20 10 DGCDRN CC[C@H]([NH2+]Cc1cnn(CCF)c1)c1ccc(N(C)C)cc1 ZINC000903273678 619750690 /nfs/dbraw/zinc/75/06/90/619750690.db2.gz FJAXNGYKHXGSSU-KRWDZBQOSA-N 0 0 304.413 3.160 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H]1CCN1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000903318794 619755009 /nfs/dbraw/zinc/75/50/09/619755009.db2.gz SYOVOOOZQGTZJS-ZWNOBZJWSA-N 0 0 303.233 3.444 20 10 DGCDRN C[C@H]([NH2+]C[C@](C)(O)c1cccc(F)c1)c1ccc(F)cc1[O-] ZINC000903307757 619756768 /nfs/dbraw/zinc/75/67/68/619756768.db2.gz FANQGEYSOALKET-GTNSWQLSSA-N 0 0 307.340 3.229 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H]1CCN1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000903316241 619758689 /nfs/dbraw/zinc/75/86/89/619758689.db2.gz BSXMSOUKWGREEP-JOYOIKCWSA-N 0 0 303.233 3.444 20 10 DGCDRN CC[C@H]([NH2+]C[C@]1(OC(C)C)CCOC1)c1ccc(F)cc1[O-] ZINC000903357218 619764647 /nfs/dbraw/zinc/76/46/47/619764647.db2.gz LAYQGZCJHPZDLD-DOTOQJQBSA-N 0 0 311.397 3.156 20 10 DGCDRN O=C1N=C(N2CCCCC2)SC1=Cc1ccc2[nH]cnc2c1 ZINC000905071641 619970426 /nfs/dbraw/zinc/97/04/26/619970426.db2.gz UOJVVABTMWSWSV-NTEUORMPSA-N 0 0 312.398 3.019 20 10 DGCDRN CCOc1ccccc1NC[C@@H](O)CC[C@@H](O)c1ccccc1 ZINC000905296119 619984354 /nfs/dbraw/zinc/98/43/54/619984354.db2.gz YKWWKOKUIYKWAA-FUHWJXTLSA-N 0 0 315.413 3.372 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(Cl)nc2F)cc1 ZINC000905447589 619997683 /nfs/dbraw/zinc/99/76/83/619997683.db2.gz AOJOITCYKUGRMK-UHFFFAOYSA-N 0 0 321.783 3.212 20 10 DGCDRN CCCCN(C(=O)/C=C\c1cn(C)cn1)c1ccc(Cl)nc1 ZINC000906108018 620058364 /nfs/dbraw/zinc/05/83/64/620058364.db2.gz HPGPUJMKXTZQMY-YVMONPNESA-N 0 0 318.808 3.315 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)C1(C2CCCCC2)CC1 ZINC000907057535 620135686 /nfs/dbraw/zinc/13/56/86/620135686.db2.gz PDMKTYUOXSOHGD-UHFFFAOYSA-N 0 0 303.402 3.117 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(Cl)nc1F)c1ccc(N(C)C)cc1 ZINC000907493235 620158890 /nfs/dbraw/zinc/15/88/90/620158890.db2.gz PBWSQEBLVDIQLU-SNVBAGLBSA-N 0 0 321.783 3.431 20 10 DGCDRN CC(=O)CCCCCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000909113083 620242854 /nfs/dbraw/zinc/24/28/54/620242854.db2.gz OQJPTTNEQKDGMG-UHFFFAOYSA-N 0 0 321.398 3.192 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000910946385 620319828 /nfs/dbraw/zinc/31/98/28/620319828.db2.gz NQEMNOHWSDPVLL-GHMZBOCLSA-N 0 0 323.801 3.233 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000910946367 620319977 /nfs/dbraw/zinc/31/99/77/620319977.db2.gz NHZJORZRPPNYEQ-APHBMKBZSA-N 0 0 303.402 3.321 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1cnc(NC2CC2)s1 ZINC000911897164 620351659 /nfs/dbraw/zinc/35/16/59/620351659.db2.gz HFLHPZGXCBVZMX-UHFFFAOYSA-N 0 0 323.805 3.006 20 10 DGCDRN Cc1cccc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1F ZINC000151325249 620441000 /nfs/dbraw/zinc/44/10/00/620441000.db2.gz PQHZOJRAPQXDHB-UHFFFAOYSA-N 0 0 304.340 3.269 20 10 DGCDRN Cc1ccc(F)cc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000029702704 620444119 /nfs/dbraw/zinc/44/41/19/620444119.db2.gz TWIKEVJTGDWJJD-UHFFFAOYSA-N 0 0 300.377 3.472 20 10 DGCDRN CN(CC(=O)OC(C)(C)C)Cc1c(O)ccc2ccccc21 ZINC000152128546 620493670 /nfs/dbraw/zinc/49/36/70/620493670.db2.gz MTKUOEORWOQHLR-UHFFFAOYSA-N 0 0 301.386 3.319 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NC1(C(F)(F)F)CCC1 ZINC000788026194 620510286 /nfs/dbraw/zinc/51/02/86/620510286.db2.gz ADXKRJDELUOLOZ-UHFFFAOYSA-N 0 0 302.296 3.019 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(F)cc(F)c1 ZINC000152986355 620530373 /nfs/dbraw/zinc/53/03/73/620530373.db2.gz JWYSUKSMDJZMGN-SECBINFHSA-N 0 0 322.311 3.129 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cc(-c3ccccc3)on2)cc1 ZINC000031971342 620534292 /nfs/dbraw/zinc/53/42/92/620534292.db2.gz HPLZBBZCUFCFGL-UHFFFAOYSA-N 0 0 321.380 3.338 20 10 DGCDRN CCCN(CCO)C(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000914535114 620541011 /nfs/dbraw/zinc/54/10/11/620541011.db2.gz GSMXEPAWTGQKIG-UHFFFAOYSA-N 0 0 314.429 3.247 20 10 DGCDRN COc1ccccc1NC[C@@H](O)COc1cc(C)cc(C)c1 ZINC000032186315 620553408 /nfs/dbraw/zinc/55/34/08/620553408.db2.gz RPARUBIRABZBTB-OAHLLOKOSA-N 0 0 301.386 3.164 20 10 DGCDRN Cc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)c(C)n1C ZINC000915198032 620572427 /nfs/dbraw/zinc/57/24/27/620572427.db2.gz YIHUYSCRMONZCH-UHFFFAOYSA-N 0 0 311.429 3.172 20 10 DGCDRN CS(=O)(=O)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000915362183 620581826 /nfs/dbraw/zinc/58/18/26/620581826.db2.gz ADKYRAMVAKFDAX-UHFFFAOYSA-N 0 0 317.370 3.085 20 10 DGCDRN Cc1n[nH]c(C)c1/C=C1/SC(=S)N(c2ccccc2)C1=O ZINC000915983460 620611133 /nfs/dbraw/zinc/61/11/33/620611133.db2.gz GAQDRWXFWNHKEZ-MDWZMJQESA-N 0 0 315.423 3.432 20 10 DGCDRN Cc1cc(CC(=O)NC(CF)CF)c(C)n1-c1ccccc1 ZINC000854687726 620830131 /nfs/dbraw/zinc/83/01/31/620830131.db2.gz HXOLECLKZYWOND-UHFFFAOYSA-N 0 0 306.356 3.060 20 10 DGCDRN O=C(N[C@H](c1ccccc1)C1(CO)CCC1)C1=CC(=O)CS1 ZINC000855114827 620870234 /nfs/dbraw/zinc/87/02/34/620870234.db2.gz MRCFFALJWIHELZ-OAHLLOKOSA-N 0 0 317.410 3.087 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)/C(C)=C\C(C)(C)C)C2)cc1 ZINC000855224998 620881996 /nfs/dbraw/zinc/88/19/96/620881996.db2.gz HGXISPZKKFMCBE-ZSMUJPCHSA-N 0 0 316.445 3.383 20 10 DGCDRN CCCCCCC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855232581 620882316 /nfs/dbraw/zinc/88/23/16/620882316.db2.gz SDDFLZOYVLAZDL-OAHLLOKOSA-N 0 0 304.434 3.361 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCC[C@@H](C)C3)C2)cc1 ZINC000855230688 620882505 /nfs/dbraw/zinc/88/25/05/620882505.db2.gz HXMLKHUMAJLPFP-OAGGEKHMSA-N 0 0 316.445 3.216 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)CCC3CCCC3)C2)cc1 ZINC000855234617 620882687 /nfs/dbraw/zinc/88/26/87/620882687.db2.gz HBKWGCHHRXIGQZ-MRXNPFEDSA-N 0 0 316.445 3.361 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)c3sccc3C)C2)cc1 ZINC000855235146 620882766 /nfs/dbraw/zinc/88/27/66/620882766.db2.gz YYVKPCSGOLFBAW-ZDUSSCGKSA-N 0 0 316.426 3.074 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(C)cc3C)C2)cc1 ZINC000855234739 620882959 /nfs/dbraw/zinc/88/29/59/620882959.db2.gz LJHBKUGGMYRYEK-MRXNPFEDSA-N 0 0 324.424 3.321 20 10 DGCDRN O=C(Nc1ccc2c(c1)[C@@H](O)CCCC2)C1=CC(=O)CS1 ZINC000855546494 620911382 /nfs/dbraw/zinc/91/13/82/620911382.db2.gz RPCNXILVOCMPNB-AWEZNQCLSA-N 0 0 303.383 3.466 20 10 DGCDRN O=C(Nc1ccc2c(c1)[C@H](O)CCCC2)c1cccc(O)c1O ZINC000855549329 620911958 /nfs/dbraw/zinc/91/19/58/620911958.db2.gz AXKACUGZBVSAMV-OAHLLOKOSA-N 0 0 313.353 3.110 20 10 DGCDRN CC(C)(C)[C@@H]1NC(=O)N(c2cc(Cl)c(N)c(Cl)c2)C1=O ZINC000772127888 620921146 /nfs/dbraw/zinc/92/11/46/620921146.db2.gz VYXAEPMFEYQDOT-SNVBAGLBSA-N 0 0 316.188 3.047 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H]2[C@@H](C)O)cc1 ZINC000855868627 620944954 /nfs/dbraw/zinc/94/49/54/620944954.db2.gz YQBJNAFJIUWQGL-CRAIPNDOSA-N 0 0 312.413 3.080 20 10 DGCDRN CC(C)(C)O[C@H]1C[C@@H](NC(=O)C2=CC(=O)CS2)C12CCC2 ZINC000855922784 620948770 /nfs/dbraw/zinc/94/87/70/620948770.db2.gz RDQZIIKQPUVLOY-OLZOCXBDSA-N 0 0 309.431 3.310 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H]3COC[C@H]3C2)cc1 ZINC000856152886 620965853 /nfs/dbraw/zinc/96/58/53/620965853.db2.gz HUKFYZMYHADLPG-QZTJIDSGSA-N 0 0 324.424 3.203 20 10 DGCDRN CSCCCCCCNC(=O)NCc1c(O)cccc1F ZINC000921908788 620967014 /nfs/dbraw/zinc/96/70/14/620967014.db2.gz RMPGXXMNLKYXRY-UHFFFAOYSA-N 0 0 314.426 3.254 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(F)c2)c1 ZINC000756382465 620969379 /nfs/dbraw/zinc/96/93/79/620969379.db2.gz DBNBFRYJTMEMSP-NSHDSACASA-N 0 0 303.333 3.169 20 10 DGCDRN Cc1cn(C)nc1NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000856413263 620993429 /nfs/dbraw/zinc/99/34/29/620993429.db2.gz ZXBSVYUHAJPTHL-UHFFFAOYSA-N 0 0 322.412 3.317 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2cc3c(s2)CCCC3)c1 ZINC000114542299 621009099 /nfs/dbraw/zinc/00/90/99/621009099.db2.gz BNZBBRDTVBJKEI-UHFFFAOYSA-N 0 0 317.410 3.271 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Cc2cccc3ccccc32)c1 ZINC000114544218 621009722 /nfs/dbraw/zinc/00/97/22/621009722.db2.gz DORHMYHKUVXYDM-UHFFFAOYSA-N 0 0 321.376 3.413 20 10 DGCDRN c1cnc2c(ccnc2NCc2ccc(N3CCCC3)cc2)n1 ZINC000856723397 621011047 /nfs/dbraw/zinc/01/10/47/621011047.db2.gz QETHCHMATMFUKC-UHFFFAOYSA-N 0 0 305.385 3.237 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2cc(C)cc(C)c2)c1 ZINC000114565345 621015416 /nfs/dbraw/zinc/01/54/16/621015416.db2.gz DKICPRDQZUNOSI-UHFFFAOYSA-N 0 0 300.358 3.339 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2cccc(F)c2F)c1 ZINC000114575063 621016010 /nfs/dbraw/zinc/01/60/10/621016010.db2.gz LGTUMJOLYHVNCG-UHFFFAOYSA-N 0 0 308.284 3.001 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NC[C@@H]2CCC[C@H](C)C2)c1 ZINC000114591428 621016770 /nfs/dbraw/zinc/01/67/70/621016770.db2.gz DWILBUURJXOVIT-QWHCGFSZSA-N 0 0 306.406 3.026 20 10 DGCDRN O=C(NCC[C@H]1CC1(F)F)NCc1ccc(N2CCCC2)cc1 ZINC000856825837 621026920 /nfs/dbraw/zinc/02/69/20/621026920.db2.gz NJULKHAUJSMEKH-AWEZNQCLSA-N 0 0 323.387 3.131 20 10 DGCDRN COc1cccc(O)c1CN(C)Cc1c(C)cc(C)nc1OC ZINC000857068877 621054387 /nfs/dbraw/zinc/05/43/87/621054387.db2.gz IACCICNZRMQWGP-UHFFFAOYSA-N 0 0 316.401 3.053 20 10 DGCDRN COc1ccc(F)c(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000857081720 621056484 /nfs/dbraw/zinc/05/64/84/621056484.db2.gz QRPGIUZMZPIOCD-SNVBAGLBSA-N 0 0 320.320 3.299 20 10 DGCDRN Cc1cc(-n2cccn2)ccc1NC(=O)NCc1ccccc1O ZINC000789330162 625460803 /nfs/dbraw/zinc/46/08/03/625460803.db2.gz FPWVQLLFJLJHCC-UHFFFAOYSA-N 0 0 322.368 3.208 20 10 DGCDRN Cc1cc(Br)c(O)c(CNc2nncn2C2CC2)c1 ZINC000922658039 621074848 /nfs/dbraw/zinc/07/48/48/621074848.db2.gz IBOREPSDPJCQHX-UHFFFAOYSA-N 0 0 323.194 3.002 20 10 DGCDRN CCN(CC)c1ccc(CNc2nncn2C2CC2)cc1F ZINC000922661228 621075371 /nfs/dbraw/zinc/07/53/71/621075371.db2.gz JTEIHGFADIDMKS-UHFFFAOYSA-N 0 0 303.385 3.210 20 10 DGCDRN COc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cc1C ZINC000922671911 621076634 /nfs/dbraw/zinc/07/66/34/621076634.db2.gz IVFQHABIMSFSSA-LBPRGKRZSA-N 0 0 316.357 3.468 20 10 DGCDRN CC(C)c1cccc(C(=O)NCc2cc(Cl)ccc2O)n1 ZINC000857547602 621095040 /nfs/dbraw/zinc/09/50/40/621095040.db2.gz LPHSPLKNMLKBAQ-UHFFFAOYSA-N 0 0 304.777 3.494 20 10 DGCDRN CCCOc1cccnc1C(=O)NCc1cc(Cl)ccc1O ZINC000857548896 621095530 /nfs/dbraw/zinc/09/55/30/621095530.db2.gz ZMZGBGQXOGDBDA-UHFFFAOYSA-N 0 0 320.776 3.159 20 10 DGCDRN COc1ccccc1[C@@H](C)NC(=O)NCc1cc(C)ccc1O ZINC000858091916 621151409 /nfs/dbraw/zinc/15/14/09/621151409.db2.gz JYISZNJPNJKBKL-CYBMUJFWSA-N 0 0 314.385 3.270 20 10 DGCDRN CC[C@H](C)C(=O)NCc1cc(NC(=O)[C@@H](C)CC)ccc1O ZINC000923125291 621160129 /nfs/dbraw/zinc/16/01/29/621160129.db2.gz BWLMCKOAKLBOTJ-RYUDHWBXSA-N 0 0 306.406 3.039 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)c1 ZINC000858162197 621160166 /nfs/dbraw/zinc/16/01/66/621160166.db2.gz RTYOMQXJFXYNCM-JKSUJKDBSA-N 0 0 314.360 3.195 20 10 DGCDRN CC(C)c1nn(C)cc1NCc1cc(F)c(N(C)C)cc1F ZINC000858161151 621160237 /nfs/dbraw/zinc/16/02/37/621160237.db2.gz DHFRBUQUUIKHEB-UHFFFAOYSA-N 0 0 308.376 3.500 20 10 DGCDRN CCCC[C@@](C)(CO)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858182390 621162201 /nfs/dbraw/zinc/16/22/01/621162201.db2.gz RESLUSMDQNNBRS-INIZCTEOSA-N 0 0 300.393 3.062 20 10 DGCDRN C/C=C\CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000858204541 621164514 /nfs/dbraw/zinc/16/45/14/621164514.db2.gz HVASUURECIOERC-ARJAWSKDSA-N 0 0 301.434 3.298 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@@H](OC(C)C)C2(C)C)c1 ZINC000858363381 621181176 /nfs/dbraw/zinc/18/11/76/621181176.db2.gz IRDOIHCNGXJQQV-HZPDHXFCSA-N 0 0 320.433 3.092 20 10 DGCDRN CCN(CC)c1ccc(CNc2cc(Cl)nc(=O)[nH]2)cc1F ZINC000858403943 621186222 /nfs/dbraw/zinc/18/62/22/621186222.db2.gz MEFVJIYDYJYBBU-UHFFFAOYSA-N 0 0 324.787 3.433 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCc2cc(C)cc(Cl)n2)c1 ZINC000858426526 621189543 /nfs/dbraw/zinc/18/95/43/621189543.db2.gz WSFACGRKETWZNF-UHFFFAOYSA-N 0 0 319.792 3.057 20 10 DGCDRN CCn1ncc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)n1 ZINC000858443923 621191776 /nfs/dbraw/zinc/19/17/76/621191776.db2.gz QCUCWKOPPRWMFO-OAHLLOKOSA-N 0 0 313.449 3.139 20 10 DGCDRN CCC[C@@H](OCC)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000858604450 621209054 /nfs/dbraw/zinc/20/90/54/621209054.db2.gz GTGZPUTZTOKDLG-QGZVFWFLSA-N 0 0 306.450 3.354 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ocnc2C(F)F)cc1 ZINC000858605589 621209386 /nfs/dbraw/zinc/20/93/86/621209386.db2.gz VFKJGNHDSLTJMZ-UHFFFAOYSA-N 0 0 323.343 3.388 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N(C)CC2CC2)cc1 ZINC000858625924 621210862 /nfs/dbraw/zinc/21/08/62/621210862.db2.gz GSPRFJVAXCZRMZ-UHFFFAOYSA-N 0 0 324.424 3.318 20 10 DGCDRN CCO[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)C1CC1 ZINC000858663342 621212919 /nfs/dbraw/zinc/21/29/19/621212919.db2.gz SEKOXYUHAYCKAA-SFHVURJKSA-N 0 0 318.461 3.305 20 10 DGCDRN CCC[C@@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)OCC ZINC000858684287 621214460 /nfs/dbraw/zinc/21/44/60/621214460.db2.gz RLRYVLXHQPMHFJ-KRWDZBQOSA-N 0 0 321.465 3.099 20 10 DGCDRN CCC(F)(F)CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000858800188 621221759 /nfs/dbraw/zinc/22/17/59/621221759.db2.gz DMYKSYMFNPUEKJ-UHFFFAOYSA-N 0 0 312.360 3.116 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ocnc1C(F)F ZINC000858826579 621223288 /nfs/dbraw/zinc/22/32/88/621223288.db2.gz LROAZIFKHSVXLS-UHFFFAOYSA-N 0 0 323.343 3.341 20 10 DGCDRN CCCN(C)C(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC000858905168 621230448 /nfs/dbraw/zinc/23/04/48/621230448.db2.gz MDSYXSIRFLHXNM-UHFFFAOYSA-N 0 0 312.413 3.318 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NC[C@H]2CCCC23CC3)cc1 ZINC000859014089 621238860 /nfs/dbraw/zinc/23/88/60/621238860.db2.gz FSWKEDVOIYVDAG-MRXNPFEDSA-N 0 0 315.461 3.474 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCCC23CC3)c1 ZINC000859017077 621240068 /nfs/dbraw/zinc/24/00/68/621240068.db2.gz YSPBCUOXTSEDSP-STQMWFEESA-N 0 0 318.417 3.341 20 10 DGCDRN CCC[C@H](NC(=O)NCc1cc(OC)ccc1O)C(C)(C)C ZINC000838474997 621258420 /nfs/dbraw/zinc/25/84/20/621258420.db2.gz VUUUKXQWZIMQHX-HNNXBMFYSA-N 0 0 308.422 3.415 20 10 DGCDRN CCCOCCOC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000859192048 621258746 /nfs/dbraw/zinc/25/87/46/621258746.db2.gz HVCJQVPFFJIQEI-HNNXBMFYSA-N 0 0 322.449 3.145 20 10 DGCDRN CC(C)[C@]1(C)C[C@@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000838484998 621259010 /nfs/dbraw/zinc/25/90/10/621259010.db2.gz ALKLRBAFZDYHDU-HKUYNNGSSA-N 0 0 313.445 3.297 20 10 DGCDRN CC(C)[C@]1(C)C[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000838485002 621259213 /nfs/dbraw/zinc/25/92/13/621259213.db2.gz ALKLRBAFZDYHDU-MJGOQNOKSA-N 0 0 313.445 3.297 20 10 DGCDRN COC1CCC(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000838559715 621263045 /nfs/dbraw/zinc/26/30/45/621263045.db2.gz OYQYYMIJMSECEO-BZOOQXSSSA-N 0 0 319.449 3.070 20 10 DGCDRN COc1ccc(N(CCOC2CCOCC2)CC2CC2)cc1 ZINC000859324868 621270020 /nfs/dbraw/zinc/27/00/20/621270020.db2.gz ONSHQQACLWLFPK-UHFFFAOYSA-N 0 0 305.418 3.107 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)[C@H](OC)C1CC1 ZINC000838702055 621272153 /nfs/dbraw/zinc/27/21/53/621272153.db2.gz RHMVSESWNKBYNZ-GUYCJALGSA-N 0 0 320.433 3.127 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CC[C@@H](C)O1 ZINC000838743663 621274491 /nfs/dbraw/zinc/27/44/91/621274491.db2.gz YBEJLOLXAGUABM-ZBFHGGJFSA-N 0 0 320.433 3.271 20 10 DGCDRN COc1ccc(N(C)CCn2cc(Cl)cn2)cc1Cl ZINC000838869948 621293759 /nfs/dbraw/zinc/29/37/59/621293759.db2.gz ZCDGHDNKVPASSQ-UHFFFAOYSA-N 0 0 300.189 3.335 20 10 DGCDRN CCO[C@H]1C[C@@H]([NH2+]Cc2cc(C)cc(Br)c2[O-])C1 ZINC000839147575 621332968 /nfs/dbraw/zinc/33/29/68/621332968.db2.gz NPYNTYQVZWWSGP-TXEJJXNPSA-N 0 0 314.223 3.120 20 10 DGCDRN O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Cl)cc(Cl)c1[O-] ZINC000839132324 621338987 /nfs/dbraw/zinc/33/89/87/621338987.db2.gz YYFROEARBXINOP-PHIMTYICSA-N 0 0 300.185 3.395 20 10 DGCDRN [O-]c1c(Br)cccc1C[NH+]1CC2(CC(F)C2)C1 ZINC000839139754 621340415 /nfs/dbraw/zinc/34/04/15/621340415.db2.gz KYBDQFGACOUYEZ-UHFFFAOYSA-N 0 0 300.171 3.089 20 10 DGCDRN CN(C)c1ccc(CN2CC(C(F)F)C2)c(C(F)(F)F)c1 ZINC000839140949 621340571 /nfs/dbraw/zinc/34/05/71/621340571.db2.gz KWKUMNVXZUMESS-UHFFFAOYSA-N 0 0 308.294 3.468 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1ccc(C=O)cc1 ZINC000860048943 621359076 /nfs/dbraw/zinc/35/90/76/621359076.db2.gz LGBWTYQBDYHGDJ-UHFFFAOYSA-N 0 0 311.381 3.186 20 10 DGCDRN C/C(=C/C(=O)N1CCCc2ccc(F)c(C)c21)c1cnccn1 ZINC000839438314 621374001 /nfs/dbraw/zinc/37/40/01/621374001.db2.gz JDHZPNUESIOFIJ-BENRWUELSA-N 0 0 311.360 3.307 20 10 DGCDRN C/C(=C/C(=O)N1CCCc2ccc(C)c(C)c21)c1cnccn1 ZINC000839438649 621374220 /nfs/dbraw/zinc/37/42/20/621374220.db2.gz QKZWYOMXJABWQT-KAMYIIQDSA-N 0 0 307.397 3.476 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@H]2C[C@]2(F)c2ccccc2)cc1 ZINC000839469550 621379137 /nfs/dbraw/zinc/37/91/37/621379137.db2.gz LEHUDWXZPWXQJF-MJGOQNOKSA-N 0 0 312.388 3.254 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ocnc1C(F)F ZINC000860243285 621385746 /nfs/dbraw/zinc/38/57/46/621385746.db2.gz JFAWIHVSKAUSTI-UHFFFAOYSA-N 0 0 322.311 3.127 20 10 DGCDRN COc1cccc(CNC(=O)CCCCCCSC)c1O ZINC000860240877 621385871 /nfs/dbraw/zinc/38/58/71/621385871.db2.gz LDRIQETWXSDBQV-UHFFFAOYSA-N 0 0 311.447 3.331 20 10 DGCDRN CCN1C(=O)/C(=C/c2ccnc3ccccc23)SC1=S ZINC000013214871 621400304 /nfs/dbraw/zinc/40/03/04/621400304.db2.gz YOIDSDYCVAACPS-LCYFTJDESA-N 0 0 300.408 3.456 20 10 DGCDRN O=C(NCCCSc1nccs1)NC12CCC(CC1)C2 ZINC000753219198 621431359 /nfs/dbraw/zinc/43/13/59/621431359.db2.gz JVJZKBCBMYFSCH-UHFFFAOYSA-N 0 0 311.476 3.257 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1C[C@H](OC)C1(C)C ZINC000753557523 621448230 /nfs/dbraw/zinc/44/82/30/621448230.db2.gz OQUBLEGSWQNDLC-HOTGVXAUSA-N 0 0 320.433 3.127 20 10 DGCDRN COC(=O)COc1ccc(N(C)Cc2ccc(C)c(F)c2)cc1 ZINC000753592436 621452385 /nfs/dbraw/zinc/45/23/85/621452385.db2.gz YKVDBIJWTOBHMV-UHFFFAOYSA-N 0 0 317.360 3.322 20 10 DGCDRN CC[C@@H](C)n1nc(NC(=O)NCc2cc(C)ccc2O)cc1C ZINC000860879553 621454207 /nfs/dbraw/zinc/45/42/07/621454207.db2.gz CFVGGUOPMGQTFR-GFCCVEGCSA-N 0 0 316.405 3.498 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](CO)C(C)(C)C)cc1 ZINC000753664810 621458483 /nfs/dbraw/zinc/45/84/83/621458483.db2.gz RWFFSQULWRPUQQ-QGZVFWFLSA-N 0 0 314.429 3.231 20 10 DGCDRN O=C(N[C@@H](C[C@H]1CCOC1)c1ccccc1)C1=CC(=O)CS1 ZINC000753849826 621468758 /nfs/dbraw/zinc/46/87/58/621468758.db2.gz GDMDGWSHTFEGSK-DOMZBBRYSA-N 0 0 317.410 3.351 20 10 DGCDRN Cc1ccc(CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)o1 ZINC000753918627 621471775 /nfs/dbraw/zinc/47/17/75/621471775.db2.gz NLMBQONHEDGERI-UHFFFAOYSA-N 0 0 312.413 3.388 20 10 DGCDRN COc1ccc2c(c1)CCCN2C(=O)/C=C\c1ccc(C)nc1 ZINC000754061649 621483879 /nfs/dbraw/zinc/48/38/79/621483879.db2.gz MGWGQKFGSAZBIB-YFHOEESVSA-N 0 0 308.381 3.391 20 10 DGCDRN Cc1ccc(/C=C/C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)cn1 ZINC000754415114 621509705 /nfs/dbraw/zinc/50/97/05/621509705.db2.gz BQWIRLCFRFPAOG-AATRIKPKSA-N 0 0 323.352 3.209 20 10 DGCDRN COc1cccc(NC(=O)NCc2ccc(N(C)C)cc2)c1C ZINC000861442065 621515474 /nfs/dbraw/zinc/51/54/74/621515474.db2.gz HKMCAVOMTWVHKN-UHFFFAOYSA-N 0 0 313.401 3.391 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCc2ccncc2)cc1 ZINC000754624024 621521214 /nfs/dbraw/zinc/52/12/14/621521214.db2.gz CEPOQUCGWHLUEF-UHFFFAOYSA-N 0 0 319.408 3.462 20 10 DGCDRN CCCN(CC(=O)OC)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000754727842 621528451 /nfs/dbraw/zinc/52/84/51/621528451.db2.gz RAOMZVSEMBWCTP-UHFFFAOYSA-N 0 0 323.433 3.083 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)C[C@@H](C)COC)cc1 ZINC000755080412 621550810 /nfs/dbraw/zinc/55/08/10/621550810.db2.gz AGHDLBHYHQFHQJ-OAHLLOKOSA-N 0 0 306.450 3.164 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@]2(C)CCCO2)cc1 ZINC000755085117 621550822 /nfs/dbraw/zinc/55/08/22/621550822.db2.gz RDKAOPGVXXKPBH-SFHVURJKSA-N 0 0 304.434 3.060 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@]2(C)CCCO2)cc1 ZINC000755085115 621550951 /nfs/dbraw/zinc/55/09/51/621550951.db2.gz RDKAOPGVXXKPBH-GOSISDBHSA-N 0 0 304.434 3.060 20 10 DGCDRN CC(C)[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000755127210 621553796 /nfs/dbraw/zinc/55/37/96/621553796.db2.gz OCEYAVOTIFPQHA-KRWDZBQOSA-N 0 0 315.461 3.474 20 10 DGCDRN CN1CCCc2cc(CNC(=O)NCCC3CCC3)ccc21 ZINC000755266835 621562222 /nfs/dbraw/zinc/56/22/22/621562222.db2.gz YHKYZXVNWBMQFM-UHFFFAOYSA-N 0 0 301.434 3.058 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@H]3C[C@H]3C2)c1 ZINC000862218959 621562795 /nfs/dbraw/zinc/56/27/95/621562795.db2.gz PGQODMGNXLMISS-RDJZCZTQSA-N 0 0 322.408 3.389 20 10 DGCDRN C[C@@H]1CN(Cc2c(O)cccc2Br)[C@@H](C)[C@H](C)O1 ZINC000862337553 621575591 /nfs/dbraw/zinc/57/55/91/621575591.db2.gz WYVPKAQWTFZCIK-VWYCJHECSA-N 0 0 314.223 3.152 20 10 DGCDRN CN(C)c1cc(F)c(CN2CCCC[C@H]2c2cc[nH]n2)cc1F ZINC000862363124 621578457 /nfs/dbraw/zinc/57/84/57/621578457.db2.gz JJLCCWMAMXXFAA-INIZCTEOSA-N 0 0 320.387 3.481 20 10 DGCDRN CCc1cccc(CN[C@@H](c2cnn(C)c2)C(F)(F)F)c1O ZINC000862365268 621579349 /nfs/dbraw/zinc/57/93/49/621579349.db2.gz NZUCMWYUPCRXEZ-AWEZNQCLSA-N 0 0 313.323 3.081 20 10 DGCDRN Oc1ccc(Br)cc1Cn1cnc2c1CCCC2 ZINC000862430903 621588635 /nfs/dbraw/zinc/58/86/35/621588635.db2.gz FASXFINAQFFZIP-UHFFFAOYSA-N 0 0 307.191 3.278 20 10 DGCDRN COc1ccc(O)c(CN[C@@H](c2nccs2)C(F)(F)F)c1 ZINC000862431035 621588728 /nfs/dbraw/zinc/58/87/28/621588728.db2.gz BYARUWFKVOWISY-NSHDSACASA-N 0 0 318.320 3.251 20 10 DGCDRN COc1cc(Cl)cc(CN2Cc3ccc(O)cc3C2)c1O ZINC000862450547 621591825 /nfs/dbraw/zinc/59/18/25/621591825.db2.gz WHZBGCCTYPMTCP-UHFFFAOYSA-N 0 0 305.761 3.276 20 10 DGCDRN CCOC(=O)C1=CC[C@@H]([NH2+]Cc2c(O)cc(C)cc2Cl)C1 ZINC000862489126 621595676 /nfs/dbraw/zinc/59/56/76/621595676.db2.gz AEFYBNIIWCQYJY-GFCCVEGCSA-N 0 0 309.793 3.096 20 10 DGCDRN CCN(CC)c1ccc(CN2CCO[C@@H](CCF)C2)cc1F ZINC000862530537 621597531 /nfs/dbraw/zinc/59/75/31/621597531.db2.gz OEIYHXMXFVFLAH-HNNXBMFYSA-N 0 0 312.404 3.232 20 10 DGCDRN COc1ccc([C@@H]2C[C@H]2C(=O)NCc2cc(C)ccc2O)cc1 ZINC000862753516 621613234 /nfs/dbraw/zinc/61/32/34/621613234.db2.gz FGZNIUZYEZSRIF-DLBZAZTESA-N 0 0 311.381 3.129 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccc(OC(C)(C)C)cn2)c1 ZINC000862755828 621613880 /nfs/dbraw/zinc/61/38/80/621613880.db2.gz ZDZIGRWQTLRDMB-UHFFFAOYSA-N 0 0 314.385 3.203 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CCCOc2ccccc2C)c1 ZINC000862759612 621614226 /nfs/dbraw/zinc/61/42/26/621614226.db2.gz IOJWESXPIBKRJX-UHFFFAOYSA-N 0 0 313.397 3.484 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CCOc2c(C)cccc2C)c1 ZINC000862760779 621614729 /nfs/dbraw/zinc/61/47/29/621614729.db2.gz VZIIWESAOIVDHU-UHFFFAOYSA-N 0 0 313.397 3.403 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[C@@H]2C)cc1F ZINC000805094032 621615422 /nfs/dbraw/zinc/61/54/22/621615422.db2.gz GKAAJAYKXUDWDG-WFASDCNBSA-N 0 0 307.413 3.270 20 10 DGCDRN COC(=O)[C@@H](CC1CCCCC1)NCc1cc(C)ccc1O ZINC000756147499 621618819 /nfs/dbraw/zinc/61/88/19/621618819.db2.gz RXIKOMXRSYJWOK-MRXNPFEDSA-N 0 0 305.418 3.302 20 10 DGCDRN COC(=O)[C@H](CC1CCCCC1)NCc1cc(OC)ccc1O ZINC000756147825 621618996 /nfs/dbraw/zinc/61/89/96/621618996.db2.gz WJZSWKSDGROBML-INIZCTEOSA-N 0 0 321.417 3.002 20 10 DGCDRN C[C@@H]1CC[C@@](C[NH2+]Cc2ccc(N(C)C)cc2)(CC(=O)[O-])C1 ZINC000756312509 621627277 /nfs/dbraw/zinc/62/72/77/621627277.db2.gz QVHGZZXBKNOUNM-KDOFPFPSSA-N 0 0 304.434 3.123 20 10 DGCDRN CN(C)c1ccc(C[NH2+]C[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000756311970 621627366 /nfs/dbraw/zinc/62/73/66/621627366.db2.gz YPSGYEDQLHCSDB-KRWDZBQOSA-N 0 0 312.413 3.101 20 10 DGCDRN CC1([C@H]([NH2+]Cc2ccc3c(c2)CCO3)C(=O)[O-])CCCCC1 ZINC000756380045 621632973 /nfs/dbraw/zinc/63/29/73/621632973.db2.gz DPSZXMXBRQJHTD-MRXNPFEDSA-N 0 0 303.402 3.135 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@]2(C)C(=O)[O-])cc1 ZINC000756390684 621634852 /nfs/dbraw/zinc/63/48/52/621634852.db2.gz VVCWHUXXCAYVFN-AEFFLSMTSA-N 0 0 304.434 3.266 20 10 DGCDRN C[C@H]([NH2+]C[C@H](C)N1CCCC[C@@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756412512 621636721 /nfs/dbraw/zinc/63/67/21/621636721.db2.gz UPIZUBFXJXRVMZ-IHRRRGAJSA-N 0 0 321.421 3.214 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCCN(C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756442613 621639021 /nfs/dbraw/zinc/63/90/21/621639021.db2.gz FLHNXJKSNWTHJS-UWVGGRQHSA-N 0 0 303.233 3.444 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756455523 621639499 /nfs/dbraw/zinc/63/94/99/621639499.db2.gz DDOVFEVWZVTKGB-JSGCOSHPSA-N 0 0 321.367 3.172 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)c1cc(F)cc(F)c1[O-] ZINC000756458338 621639611 /nfs/dbraw/zinc/63/96/11/621639611.db2.gz LQRDTCYTZVDWBY-SECBINFHSA-N 0 0 311.303 3.153 20 10 DGCDRN C[C@H]([NH2+]CCN1Cc2ccccc2C1)c1ccc(F)cc1[O-] ZINC000756481333 621641113 /nfs/dbraw/zinc/64/11/13/621641113.db2.gz WWCJZRQUCUKTEM-ZDUSSCGKSA-N 0 0 300.377 3.198 20 10 DGCDRN C[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756488221 621641702 /nfs/dbraw/zinc/64/17/02/621641702.db2.gz MAVWFVFMIUOPOY-HTQZYQBOSA-N 0 0 313.266 3.288 20 10 DGCDRN Cc1cc(CNC(=O)c2ccnn2C)c(C)n1-c1cccc(C)c1 ZINC000863161420 621643527 /nfs/dbraw/zinc/64/35/27/621643527.db2.gz MXWSVSASBRKQOY-UHFFFAOYSA-N 0 0 322.412 3.066 20 10 DGCDRN CO[C@@H](C)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC000863160809 621643575 /nfs/dbraw/zinc/64/35/75/621643575.db2.gz BVQNSISOFRJOFX-HNNXBMFYSA-N 0 0 300.402 3.054 20 10 DGCDRN Cc1cc(CNC(=O)[C@H]2CCC(=O)C2)c(C)n1-c1cccc(C)c1 ZINC000863160149 621643597 /nfs/dbraw/zinc/64/35/97/621643597.db2.gz SHPPAQLXAKIROT-INIZCTEOSA-N 0 0 324.424 3.388 20 10 DGCDRN Cc1cc(CNC(=O)/C=C\[C@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000863163639 621644135 /nfs/dbraw/zinc/64/41/35/621644135.db2.gz LCHHEVUSHABYTK-JJEJIETFSA-N 0 0 324.424 3.303 20 10 DGCDRN CCn1ccc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)n1 ZINC000863163655 621644162 /nfs/dbraw/zinc/64/41/62/621644162.db2.gz LJXPEDXEFMBCIM-UHFFFAOYSA-N 0 0 322.412 3.241 20 10 DGCDRN Cc1cc(CNC(=O)/C=C\[C@H]2CCCO2)c(C)n1-c1ccccc1 ZINC000863163905 621644327 /nfs/dbraw/zinc/64/43/27/621644327.db2.gz SSRZUFWYVIYGIU-OEIFXAAASA-N 0 0 324.424 3.446 20 10 DGCDRN Cc1cc(CNC(=O)[C@H](C)n2cccn2)c(C)n1-c1ccccc1 ZINC000863165106 621644534 /nfs/dbraw/zinc/64/45/34/621644534.db2.gz JINIGTNEHQRBMV-INIZCTEOSA-N 0 0 322.412 3.168 20 10 DGCDRN CO[C@H](C(=O)NCc1cc(C)n(-c2ccccc2)c1C)C1CC1 ZINC000863164716 621644715 /nfs/dbraw/zinc/64/47/15/621644715.db2.gz TUWDOMVFHJDWEO-SFHVURJKSA-N 0 0 312.413 3.135 20 10 DGCDRN C[C@@H]([NH2+]Cc1nccn1CC(F)(F)F)c1ccc(F)cc1[O-] ZINC000756539535 621646004 /nfs/dbraw/zinc/64/60/04/621646004.db2.gz PVQNJOFJZUOAQW-SECBINFHSA-N 0 0 317.286 3.141 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCCOC1)c1cc(Br)c(F)cc1[O-] ZINC000756554734 621647771 /nfs/dbraw/zinc/64/77/71/621647771.db2.gz JACHUVCVQJAORZ-RKDXNWHRSA-N 0 0 318.186 3.123 20 10 DGCDRN CC(C)c1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])on1 ZINC000756574594 621650293 /nfs/dbraw/zinc/65/02/93/621650293.db2.gz XUDOYRFNPCSIOV-SNVBAGLBSA-N 0 0 305.334 3.263 20 10 DGCDRN CC(C)n1cc([C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000756575916 621650584 /nfs/dbraw/zinc/65/05/84/621650584.db2.gz RFCAOSBVUTYNAW-NWDGAFQWSA-N 0 0 318.377 3.490 20 10 DGCDRN CCC[C@@H](O)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756578002 621650729 /nfs/dbraw/zinc/65/07/29/621650729.db2.gz UQHLDGIBLCRITA-DTWKUNHWSA-N 0 0 320.202 3.105 20 10 DGCDRN C[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1cc(F)cc(F)c1[O-] ZINC000756593021 621651720 /nfs/dbraw/zinc/65/17/20/621651720.db2.gz LCSBISQCLLOSSG-BJOHPYRUSA-N 0 0 313.369 3.290 20 10 DGCDRN C[C@@H](CCO)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756592397 621651868 /nfs/dbraw/zinc/65/18/68/621651868.db2.gz HYOCRAZIHIYRFN-YUMQZZPRSA-N 0 0 322.630 3.230 20 10 DGCDRN CCc1cnc(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000756606773 621652841 /nfs/dbraw/zinc/65/28/41/621652841.db2.gz BJEXFBBZMOXBBT-JTQLQIEISA-N 0 0 321.402 3.213 20 10 DGCDRN Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756615984 621653134 /nfs/dbraw/zinc/65/31/34/621653134.db2.gz YABBQIFONDJEIR-ZJUUUORDSA-N 0 0 323.387 3.303 20 10 DGCDRN C[C@@H]([NH2+]CCOCc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756634609 621654527 /nfs/dbraw/zinc/65/45/27/621654527.db2.gz BFFUETGKZLULTI-CYBMUJFWSA-N 0 0 316.357 3.168 20 10 DGCDRN Cc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756638659 621655086 /nfs/dbraw/zinc/65/50/86/621655086.db2.gz VQOUDIIREAYHGU-BDJLRTHQSA-N 0 0 307.340 3.363 20 10 DGCDRN C[C@H]([NH2+]CCc1cc(F)ccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756638609 621655219 /nfs/dbraw/zinc/65/52/19/621655219.db2.gz VAKYUBAXLXAIEN-JTQLQIEISA-N 0 0 322.311 3.472 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C)c2cnccc2C)c1 ZINC000756675956 621658478 /nfs/dbraw/zinc/65/84/78/621658478.db2.gz JHBFXPRCHGSITI-CHWSQXEVSA-N 0 0 314.385 3.294 20 10 DGCDRN CSC1(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CCOCC1 ZINC000756733988 621661145 /nfs/dbraw/zinc/66/11/45/621661145.db2.gz SOBRREMVNKXVIP-JTQLQIEISA-N 0 0 317.401 3.233 20 10 DGCDRN Cc1cccc(NCC[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])n1 ZINC000756744916 621662437 /nfs/dbraw/zinc/66/24/37/621662437.db2.gz DPYDEROKZZCACE-NSHDSACASA-N 0 0 307.344 3.137 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])[C@H](O)Cc1ccccc1 ZINC000756757925 621662670 /nfs/dbraw/zinc/66/26/70/621662670.db2.gz DAGZSCJAORNDQK-XWCIJXRUSA-N 0 0 321.367 3.313 20 10 DGCDRN C[C@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000756771332 621663513 /nfs/dbraw/zinc/66/35/13/621663513.db2.gz VKXKXBDQAWILPS-BBATYDOGSA-N 0 0 319.351 3.155 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1cc(F)cc(F)c1[O-] ZINC000756787782 621664782 /nfs/dbraw/zinc/66/47/82/621664782.db2.gz RTODRVPFEFIGSK-PWSUYJOCSA-N 0 0 313.344 3.007 20 10 DGCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2cnn(C(C)(C)C)c2)c1 ZINC000756857387 621668637 /nfs/dbraw/zinc/66/86/37/621668637.db2.gz WKSKBMZQCLLCPM-LLVKDONJSA-N 0 0 317.389 3.303 20 10 DGCDRN COc1ccc(O)c([C@@H](C)[NH2+]Cc2nnc(-c3ccccc3)[n-]2)c1 ZINC000756867126 621669043 /nfs/dbraw/zinc/66/90/43/621669043.db2.gz GJORAXTXCZSHCO-GFCCVEGCSA-N 0 0 324.384 3.037 20 10 DGCDRN CCc1c(C(=O)NCc2ccccc2O)cnn1CCC(C)C ZINC000756861040 621669174 /nfs/dbraw/zinc/66/91/74/621669174.db2.gz JBIZHPANOIWPOZ-UHFFFAOYSA-N 0 0 315.417 3.127 20 10 DGCDRN CCN(C)c1ccc(C[NH+]2[C@@H](C)CC(C(=O)[O-])C[C@@H]2C)cc1 ZINC000863476326 621676528 /nfs/dbraw/zinc/67/65/28/621676528.db2.gz AHHOLXQNJPTZPB-KBPBESRZSA-N 0 0 304.434 3.216 20 10 DGCDRN CC[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000756985567 621677413 /nfs/dbraw/zinc/67/74/13/621677413.db2.gz HLGJUPLCTBHZRH-ZFWWWQNUSA-N 0 0 307.413 3.270 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCCC(F)(F)CC2)cc1 ZINC000863498727 621678430 /nfs/dbraw/zinc/67/84/30/621678430.db2.gz RBMWLBZXXNXQJZ-UHFFFAOYSA-N 0 0 311.376 3.083 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCCC3(CC3)CC2)cc1 ZINC000863519571 621679607 /nfs/dbraw/zinc/67/96/07/621679607.db2.gz DHOUBIFQQRTUFD-UHFFFAOYSA-N 0 0 301.434 3.228 20 10 DGCDRN CN(CCCc1nc(-c2cccs2)no1)c1ccc(N)cc1 ZINC000863557382 621683603 /nfs/dbraw/zinc/68/36/03/621683603.db2.gz NRRYWRXOHSOJNF-UHFFFAOYSA-N 0 0 314.414 3.449 20 10 DGCDRN Cc1ccc(N(CC2CC2)C(=O)/C=C\c2cnccn2)cc1F ZINC000863600699 621687335 /nfs/dbraw/zinc/68/73/35/621687335.db2.gz SRTAUJNXTYLOJT-ALCCZGGFSA-N 0 0 311.360 3.381 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C=C/c1cccnc1)CCCC2 ZINC000757181094 621691943 /nfs/dbraw/zinc/69/19/43/621691943.db2.gz DQQPVUNUISTWFY-JXMROGBWSA-N 0 0 308.381 3.473 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2cccc(F)c2)c1 ZINC000103509356 621697942 /nfs/dbraw/zinc/69/79/42/621697942.db2.gz NRGXAHVYHBARHI-NSHDSACASA-N 0 0 318.348 3.100 20 10 DGCDRN COc1cccc(CNC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)c1O ZINC000839632902 621702390 /nfs/dbraw/zinc/70/23/90/621702390.db2.gz MKYDEAYPJKRIEQ-BEFAXECRSA-N 0 0 311.381 3.211 20 10 DGCDRN CCCCCCO[C@@H](C)C(=O)NCc1cccc(OC)c1O ZINC000839633855 621703027 /nfs/dbraw/zinc/70/30/27/621703027.db2.gz XBJRJPPQHANIHY-ZDUSSCGKSA-N 0 0 309.406 3.002 20 10 DGCDRN COc1cc2c(c(OC)c1)N(CCOCC(F)(F)F)CCC2 ZINC000839654860 621704164 /nfs/dbraw/zinc/70/41/64/621704164.db2.gz BHPUFNZXCHYOLA-UHFFFAOYSA-N 0 0 319.323 3.035 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)cc1 ZINC000863731672 621705173 /nfs/dbraw/zinc/70/51/73/621705173.db2.gz XRIJOEHTNQKRPX-KFKAGJAMSA-N 0 0 324.424 3.080 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1F ZINC000863739238 621705736 /nfs/dbraw/zinc/70/57/36/621705736.db2.gz JMFIKRRARSGYCG-UKRRQHHQSA-N 0 0 322.424 3.215 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCc2ccccc2O1 ZINC000839682233 621711853 /nfs/dbraw/zinc/71/18/53/621711853.db2.gz AYQFIAHCHNADLX-IBGZPJMESA-N 0 0 324.424 3.071 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccnc(SC)c2)c1 ZINC000103529397 621712082 /nfs/dbraw/zinc/71/20/82/621712082.db2.gz PTZNSQDLGKBNPT-JTQLQIEISA-N 0 0 318.398 3.009 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc3cc[nH]c3c2)c1 ZINC000103529740 621712293 /nfs/dbraw/zinc/71/22/93/621712293.db2.gz KVTRBIQVKXWRFD-NSHDSACASA-N 0 0 310.353 3.373 20 10 DGCDRN Cc1cc(C(=O)N2CCC[C@H](CF)C2)c(C)n1-c1ccccn1 ZINC000881593186 625507886 /nfs/dbraw/zinc/50/78/86/625507886.db2.gz BGGXSRYMBDRSBX-OAHLLOKOSA-N 0 0 315.392 3.311 20 10 DGCDRN COCCOc1cccc(NCc2cccc(OC)c2O)c1 ZINC000119753669 621722131 /nfs/dbraw/zinc/72/21/31/621722131.db2.gz ZFVBCGXIESYCHB-UHFFFAOYSA-N 0 0 303.358 3.038 20 10 DGCDRN COc1ccc(N(C)Cc2cccc3c2CCOC3)cc1OC ZINC000864007554 621726705 /nfs/dbraw/zinc/72/67/05/621726705.db2.gz KLMRZDGOOYMAOL-UHFFFAOYSA-N 0 0 313.397 3.413 20 10 DGCDRN COc1ccc(CN2CCOc3cc(N(C)C)ccc32)cc1C ZINC000864015574 621727388 /nfs/dbraw/zinc/72/73/88/621727388.db2.gz HIFSNKKJQRKRNL-UHFFFAOYSA-N 0 0 312.413 3.469 20 10 DGCDRN C[C@H](Nc1ccc2c(c1)C(=O)NCC2)c1cc(F)cc(F)c1O ZINC000757614586 621728330 /nfs/dbraw/zinc/72/83/30/621728330.db2.gz VLXLRJZIIVGJPB-VIFPVBQESA-N 0 0 318.323 3.129 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000757629706 621729847 /nfs/dbraw/zinc/72/98/47/621729847.db2.gz FSKGFSNVQRZTEW-YGRLFVJLSA-N 0 0 308.378 3.297 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000757638773 621730700 /nfs/dbraw/zinc/73/07/00/621730700.db2.gz NKKVNQYWZALQSM-VHSXEESVSA-N 0 0 305.309 3.246 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000757666398 621732496 /nfs/dbraw/zinc/73/24/96/621732496.db2.gz SOWPLMMIBLGXDD-WFASDCNBSA-N 0 0 321.367 3.315 20 10 DGCDRN CCOc1ccc(NC(=O)COc2ccc(N(C)C)cc2)cc1 ZINC000757701528 621734548 /nfs/dbraw/zinc/73/45/48/621734548.db2.gz BGVIZZQERVMORL-UHFFFAOYSA-N 0 0 314.385 3.169 20 10 DGCDRN CN(C)c1ccc(CNc2ccc(-n3cncn3)c(F)c2)cc1 ZINC000119876287 621740841 /nfs/dbraw/zinc/74/08/41/621740841.db2.gz YUHPCEMRBPQEGJ-UHFFFAOYSA-N 0 0 311.364 3.085 20 10 DGCDRN COc1ccc(N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1F ZINC000757851443 621743003 /nfs/dbraw/zinc/74/30/03/621743003.db2.gz JLYNBZQEJPGEBS-UHFFFAOYSA-N 0 0 313.332 3.120 20 10 DGCDRN COc1ccc(N(C)CC(=O)NCCC(C)(C)C)cc1Cl ZINC000757857506 621743538 /nfs/dbraw/zinc/74/35/38/621743538.db2.gz VBCGGEGPVPPDAL-UHFFFAOYSA-N 0 0 312.841 3.337 20 10 DGCDRN CC(C)(C)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@H]1O ZINC000757865410 621743855 /nfs/dbraw/zinc/74/38/55/621743855.db2.gz GBWWKERSEQOXHU-TZMCWYRMSA-N 0 0 315.816 3.414 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(C(F)F)nc1 ZINC000864364656 621760891 /nfs/dbraw/zinc/76/08/91/621760891.db2.gz DXBMBVGQTLHIAU-XYOKQWHBSA-N 0 0 323.368 3.475 20 10 DGCDRN O=C([O-])[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000864525968 621779234 /nfs/dbraw/zinc/77/92/34/621779234.db2.gz ALJSBILYUBXKIX-SJORKVTESA-N 0 0 302.418 3.020 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@@H](CC=C(C)C)C(=O)[O-])cc1 ZINC000864528012 621779477 /nfs/dbraw/zinc/77/94/77/621779477.db2.gz LBLUIHHUYRTIGT-KRWDZBQOSA-N 0 0 304.434 3.432 20 10 DGCDRN CCn1ccnc1CNc1ccccc1OC[C@@H]1CCCCO1 ZINC000758414007 621781034 /nfs/dbraw/zinc/78/10/34/621781034.db2.gz OVYKYCMITJANBT-HNNXBMFYSA-N 0 0 315.417 3.463 20 10 DGCDRN O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(O)c1O ZINC000758545756 621787919 /nfs/dbraw/zinc/78/79/19/621787919.db2.gz BYKSUEYDDNBCDW-UHFFFAOYSA-N 0 0 323.688 3.016 20 10 DGCDRN Cc1cnc(F)c(C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000864863098 621823301 /nfs/dbraw/zinc/82/33/01/621823301.db2.gz NPOKIKLIBQQUMH-UHFFFAOYSA-N 0 0 313.376 3.059 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)C1(C(F)F)CCC1 ZINC000864864296 621823693 /nfs/dbraw/zinc/82/36/93/621823693.db2.gz WSMUATNAIAWCLK-UHFFFAOYSA-N 0 0 308.372 3.338 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](C)c2ccncc2)cc1 ZINC000864926963 621831944 /nfs/dbraw/zinc/83/19/44/621831944.db2.gz PYEWPOYLRBAVMA-HNNXBMFYSA-N 0 0 311.429 3.348 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCc1c(F)cccc1F ZINC000759587634 621873561 /nfs/dbraw/zinc/87/35/61/621873561.db2.gz BOSXXTRBWZMKBC-FNORWQNLSA-N 0 0 306.264 3.133 20 10 DGCDRN CC1(C)CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000759591815 621873749 /nfs/dbraw/zinc/87/37/49/621873749.db2.gz ZJQJFPUNSNSHIZ-UHFFFAOYSA-N 0 0 313.492 3.457 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCCc1cccc(F)c1F ZINC000759589298 621873775 /nfs/dbraw/zinc/87/37/75/621873775.db2.gz QZDIMTSZZOZMJG-FNORWQNLSA-N 0 0 320.291 3.175 20 10 DGCDRN C[C@@H]1CN(C(=O)NCCCSc2nccs2)C(C)(C)C1 ZINC000759600976 621874750 /nfs/dbraw/zinc/87/47/50/621874750.db2.gz BRQKYPBQWYIJKT-NSHDSACASA-N 0 0 313.492 3.455 20 10 DGCDRN C[C@H](Cc1ccccc1)NC(=S)N1Cc2cccc(O)c2C1 ZINC000865258751 621883166 /nfs/dbraw/zinc/88/31/66/621883166.db2.gz MMXIRBSCMDRCAB-CYBMUJFWSA-N 0 0 312.438 3.214 20 10 DGCDRN CN(C)c1cc(F)c(CNc2nnc(C(F)F)s2)cc1F ZINC000865289490 621890427 /nfs/dbraw/zinc/89/04/27/621890427.db2.gz MNEGEOSUIOAMBT-UHFFFAOYSA-N 0 0 320.315 3.432 20 10 DGCDRN CCOc1ccc(CNc2nnc([C@H]3CCCO3)s2)c(O)c1 ZINC000865295269 621892145 /nfs/dbraw/zinc/89/21/45/621892145.db2.gz BAAQKUTXTYIBHM-CYBMUJFWSA-N 0 0 321.402 3.106 20 10 DGCDRN CN(C)c1ccc(N(C)C(=O)/C=C\c2ccc(Cl)nc2)cc1 ZINC000759861332 621897924 /nfs/dbraw/zinc/89/79/24/621897924.db2.gz IBXDDVJRDYGUIH-WZUFQYTHSA-N 0 0 315.804 3.477 20 10 DGCDRN COC(=O)c1cnc(SC[C@H]2CCC(C)(C)CO2)s1 ZINC000865369297 621903242 /nfs/dbraw/zinc/90/32/42/621903242.db2.gz QLMRNRZNSFLBIP-SECBINFHSA-N 0 0 301.433 3.227 20 10 DGCDRN O=C([C@@H]1CC12CCC2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000760124796 621916199 /nfs/dbraw/zinc/91/61/99/621916199.db2.gz MAMXTNQPRZUWRZ-CVEARBPZSA-N 0 0 315.413 3.090 20 10 DGCDRN CCN(CC)c1ccc(CNCc2cn(C3CC3)cn2)cc1F ZINC000865456361 621925642 /nfs/dbraw/zinc/92/56/42/621925642.db2.gz MFEWGNIVFFSAQX-UHFFFAOYSA-N 0 0 316.424 3.493 20 10 DGCDRN CCCSc1cncc(NCc2cccc(OC)c2O)n1 ZINC000865501616 621937119 /nfs/dbraw/zinc/93/71/19/621937119.db2.gz CTEPWHUFTADZHK-UHFFFAOYSA-N 0 0 305.403 3.305 20 10 DGCDRN COC(=O)[C@@H](NCc1cc(C)c(C)cc1O)c1cccs1 ZINC000789573680 625527231 /nfs/dbraw/zinc/52/72/31/625527231.db2.gz YZPORYIYFDGLEM-HNNXBMFYSA-N 0 0 305.399 3.074 20 10 DGCDRN Cc1cnc(CN(C)Cc2ccc(N3CCCCC3)cc2)nc1 ZINC000760807589 621966236 /nfs/dbraw/zinc/96/62/36/621966236.db2.gz FQIHGNGFAZZDIF-UHFFFAOYSA-N 0 0 310.445 3.407 20 10 DGCDRN C[C@@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)CC1(C)OCCO1 ZINC000865674806 621976304 /nfs/dbraw/zinc/97/63/04/621976304.db2.gz ZPMCKFCXTBDOOV-SNVBAGLBSA-N 0 0 317.788 3.064 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CC2([C@@H]3CCCCO3)CCC2)c1 ZINC000865726894 621984374 /nfs/dbraw/zinc/98/43/74/621984374.db2.gz UNDVYCYSRORYJU-INIZCTEOSA-N 0 0 320.389 3.129 20 10 DGCDRN COc1ccc(N(C)Cc2cnc3cccc(C)n23)cc1OC ZINC000761221488 621995386 /nfs/dbraw/zinc/99/53/86/621995386.db2.gz OIIINCYLEXAOFW-UHFFFAOYSA-N 0 0 311.385 3.296 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)O[C@H]1CCCOC1 ZINC000761342531 622002294 /nfs/dbraw/zinc/00/22/94/622002294.db2.gz XQYGJHCAJAIYSS-ZDUSSCGKSA-N 0 0 305.399 3.491 20 10 DGCDRN CCCN1C(=O)N(Cc2ccc(N(C)C)cc2C)C(=O)[C@H]1CC ZINC000761359771 622003599 /nfs/dbraw/zinc/00/35/99/622003599.db2.gz VAJYLPOHHYONSW-MRXNPFEDSA-N 0 0 317.433 3.014 20 10 DGCDRN CCCCC[C@@H]1NC(=O)N([C@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000761573612 622018452 /nfs/dbraw/zinc/01/84/52/622018452.db2.gz DBKLYLMLQGGSKI-CJNGLKHVSA-N 0 0 317.433 3.314 20 10 DGCDRN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)CN(C2CCCC2)C1=O ZINC000761581142 622018938 /nfs/dbraw/zinc/01/89/38/622018938.db2.gz WLNOCIOBNXEPFF-CYBMUJFWSA-N 0 0 315.417 3.020 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc3ncccc3c2)cc1 ZINC000120816100 622023665 /nfs/dbraw/zinc/02/36/65/622023665.db2.gz SAXPWXFCIKLEIK-UHFFFAOYSA-N 0 0 305.381 3.231 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C)nc2Cl)c1 ZINC000761973403 622042877 /nfs/dbraw/zinc/04/28/77/622042877.db2.gz PLXIGZSTALQLET-JTQLQIEISA-N 0 0 320.776 3.249 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc3ccsc3[nH]2)c1 ZINC000761982467 622043256 /nfs/dbraw/zinc/04/32/56/622043256.db2.gz LSNYKVQUCYJFIR-SECBINFHSA-N 0 0 316.382 3.435 20 10 DGCDRN CC(C)(C)OC(=O)c1cccc(N2Cc3cccc(O)c3C2)n1 ZINC000866117061 622048463 /nfs/dbraw/zinc/04/84/63/622048463.db2.gz FRABBMOQWVHXTN-UHFFFAOYSA-N 0 0 312.369 3.263 20 10 DGCDRN O=C(/C=C\c1cnccn1)N1CC2(CCCC2)c2cccc(F)c21 ZINC000762673872 622090370 /nfs/dbraw/zinc/09/03/70/622090370.db2.gz SFIPNNWAYHGHBM-SREVYHEPSA-N 0 0 323.371 3.488 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1ccnc(C(C)(C)C)n1 ZINC000762799781 622099449 /nfs/dbraw/zinc/09/94/49/622099449.db2.gz AMBIKHVPHZSCCW-NSHDSACASA-N 0 0 301.390 3.228 20 10 DGCDRN O=C(C=C1CCCC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000762805557 622100180 /nfs/dbraw/zinc/10/01/80/622100180.db2.gz LMDQCDTZZQJRNR-QGZVFWFLSA-N 0 0 315.413 3.400 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccccc1F ZINC000763217534 622130929 /nfs/dbraw/zinc/13/09/29/622130929.db2.gz DSBRBHGYDFIVRQ-SOFGYWHQSA-N 0 0 302.301 3.036 20 10 DGCDRN CCN(CC)c1ccc(CNc2nnc(COC)s2)cc1F ZINC000763354146 622140266 /nfs/dbraw/zinc/14/02/66/622140266.db2.gz XEPGOBAJTXRXCS-UHFFFAOYSA-N 0 0 324.425 3.282 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC000866597383 622143975 /nfs/dbraw/zinc/14/39/75/622143975.db2.gz RPZMWXLCYUTIQF-MZBDJJRSSA-N 0 0 315.413 3.136 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC(=O)[C@@H](C)C1 ZINC000763477291 622147724 /nfs/dbraw/zinc/14/77/24/622147724.db2.gz FSEFLHOTVZKHBC-GOEBONIOSA-N 0 0 316.445 3.106 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCC(F)(F)C2)cc1 ZINC000763703987 622159210 /nfs/dbraw/zinc/15/92/10/622159210.db2.gz AHRDYRCWNHBWDS-CYBMUJFWSA-N 0 0 311.376 3.082 20 10 DGCDRN Cc1cc(F)ncc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000867504099 622169676 /nfs/dbraw/zinc/16/96/76/622169676.db2.gz RWWGQYROSCJOGJ-GFCCVEGCSA-N 0 0 301.365 3.086 20 10 DGCDRN COc1ccc(N(C)CC(=O)N([C@H](C)C2CC2)C2CC2)cc1F ZINC000121733006 622176272 /nfs/dbraw/zinc/17/62/72/622176272.db2.gz OYEWZJMFWMFVRZ-GFCCVEGCSA-N 0 0 320.408 3.060 20 10 DGCDRN COc1ccc(N(C)CC(=O)N2[C@H](C)CCC[C@@H]2C)cc1F ZINC000121776427 622181150 /nfs/dbraw/zinc/18/11/50/622181150.db2.gz WDCIHFCMFXPGEH-BETUJISGSA-N 0 0 308.397 3.060 20 10 DGCDRN C[C@H](NS(=O)(=O)c1ccc(C2CC2)cc1)c1ccccc1O ZINC000867836606 622187334 /nfs/dbraw/zinc/18/73/34/622187334.db2.gz ZSQPQJPEVONHJF-LBPRGKRZSA-N 0 0 317.410 3.309 20 10 DGCDRN Cc1cc(S(=O)(=O)N[C@H](C)c2ccccc2O)sc1C ZINC000867835055 622187577 /nfs/dbraw/zinc/18/75/77/622187577.db2.gz ZXHRAUBQIIYRGT-SNVBAGLBSA-N 0 0 311.428 3.110 20 10 DGCDRN COCc1cccc(CNC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000868096404 622213935 /nfs/dbraw/zinc/21/39/35/622213935.db2.gz LNNNULSMSKYBDC-ZDUSSCGKSA-N 0 0 314.385 3.099 20 10 DGCDRN CO[C@H](CNC(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 ZINC000868129890 622216973 /nfs/dbraw/zinc/21/69/73/622216973.db2.gz UMNWMDKKIWFRHB-SUMWQHHRSA-N 0 0 314.385 3.140 20 10 DGCDRN COC(=O)c1nc(NCc2ccc(N(C)C)cc2C)sc1C ZINC000764831410 622224186 /nfs/dbraw/zinc/22/41/86/622224186.db2.gz QDMUPSFGNFNKRJ-UHFFFAOYSA-N 0 0 319.430 3.225 20 10 DGCDRN Cc1noc(C)c1[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868251820 622228642 /nfs/dbraw/zinc/22/86/42/622228642.db2.gz AUQBBTMXEGSAMZ-VHSXEESVSA-N 0 0 303.362 3.118 20 10 DGCDRN C[C@H](NC(=O)CCC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000764889523 622230228 /nfs/dbraw/zinc/23/02/28/622230228.db2.gz YKGVMYJSTNYGMA-ZDUSSCGKSA-N 0 0 320.433 3.052 20 10 DGCDRN O=C(NCc1cc(Br)ccc1O)[C@]12C[C@H]1CCCC2 ZINC000868307000 622232353 /nfs/dbraw/zinc/23/23/53/622232353.db2.gz LDBJUHVCTHENKU-IAQYHMDHSA-N 0 0 324.218 3.351 20 10 DGCDRN C[C@H](CCc1cccn1C)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868317401 622233861 /nfs/dbraw/zinc/23/38/61/622233861.db2.gz IFLRBIRXDOPKQI-KGLIPLIRSA-N 0 0 315.417 3.112 20 10 DGCDRN COc1cc(C)ccc1CNC(=O)N[C@@H](C)c1ccccc1O ZINC000868396926 622240379 /nfs/dbraw/zinc/24/03/79/622240379.db2.gz WDRSWLWPVTWCGA-ZDUSSCGKSA-N 0 0 314.385 3.270 20 10 DGCDRN Cc1noc(C)c1[C@H](C)CNC(=O)N[C@@H](C)c1ccccc1O ZINC000868432839 622243563 /nfs/dbraw/zinc/24/35/63/622243563.db2.gz GABDYALFNGPBRN-MNOVXSKESA-N 0 0 317.389 3.161 20 10 DGCDRN C[C@H](NC(=O)NCC[C@H]1CCCS1)c1ccc(N(C)C)cc1 ZINC000868515656 622252565 /nfs/dbraw/zinc/25/25/65/622252565.db2.gz OSRKBKIVFLIXRH-XJKSGUPXSA-N 0 0 321.490 3.399 20 10 DGCDRN C[C@@H](NC(=O)N1C[C@@H]2CC=CC[C@@H]2C1)c1ccc(N(C)C)cc1 ZINC000868515938 622253187 /nfs/dbraw/zinc/25/31/87/622253187.db2.gz XGMHWMKTUPRYMI-OIISXLGYSA-N 0 0 313.445 3.421 20 10 DGCDRN O=C(Nc1nnc(C=Cc2ccco2)s1)C1=CC(=O)CS1 ZINC000765419503 622264363 /nfs/dbraw/zinc/26/43/63/622264363.db2.gz AOXKGWLGDLPFSC-ONEGZZNKSA-N 0 0 319.367 3.321 20 10 DGCDRN C[C@@H](NC(=O)NC[C@]1(C)CC1(Cl)Cl)c1ccccc1O ZINC000868669533 622270962 /nfs/dbraw/zinc/27/09/62/622270962.db2.gz YYRBSDZKAIHXLO-RNCFNFMXSA-N 0 0 317.216 3.336 20 10 DGCDRN CSCC1(CCNC(=O)N[C@H](C)c2ccccc2O)CC1 ZINC000868768652 622282922 /nfs/dbraw/zinc/28/29/22/622282922.db2.gz VYDCYEQGLVPUOI-GFCCVEGCSA-N 0 0 308.447 3.286 20 10 DGCDRN Cc1cc(CNCc2ccn(C)n2)c(C)n1-c1cccc(C)c1 ZINC000765787493 622287406 /nfs/dbraw/zinc/28/74/06/622287406.db2.gz MDTVDYCAPSASMX-UHFFFAOYSA-N 0 0 308.429 3.426 20 10 DGCDRN O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)C1=CC(=O)CS1 ZINC000765863895 622291729 /nfs/dbraw/zinc/29/17/29/622291729.db2.gz BUVUNSUOOIBQBH-JSGCOSHPSA-N 0 0 303.383 3.104 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCCC23CC3)cc1 ZINC000868843294 622292042 /nfs/dbraw/zinc/29/20/42/622292042.db2.gz BKNKZEAQTSKYSW-MRXNPFEDSA-N 0 0 301.434 3.227 20 10 DGCDRN COc1ccc(CNC(=O)N[C@H](C)[C@]23C[C@H]2CCCC3)c(O)c1 ZINC000868939408 622301627 /nfs/dbraw/zinc/30/16/27/622301627.db2.gz SSCOSAYBDDYOEV-DFHBCGBQSA-N 0 0 318.417 3.169 20 10 DGCDRN COc1ccc2c(c1)CCCCN2CC(=O)N1CCCC[C@@H]1C ZINC000766270863 622316304 /nfs/dbraw/zinc/31/63/04/622316304.db2.gz VNIAGPONSKWESX-HNNXBMFYSA-N 0 0 316.445 3.239 20 10 DGCDRN CC(C)(C(=O)NCc1cc(Cl)ccc1O)[C@H]1CCCCO1 ZINC000869147464 622322067 /nfs/dbraw/zinc/32/20/67/622322067.db2.gz RTHNPCUOXCUMRT-CQSZACIVSA-N 0 0 311.809 3.257 20 10 DGCDRN CCn1c(C)nn(CN2CCCc3cc(OC)ccc32)c1=S ZINC000766341959 622322894 /nfs/dbraw/zinc/32/28/94/622322894.db2.gz VGESGLXBLOROIL-UHFFFAOYSA-N 0 0 318.446 3.161 20 10 DGCDRN Cc1cc(CNC(=O)CCCCO)c(C)n1-c1cccc(C)c1 ZINC000869457726 622359783 /nfs/dbraw/zinc/35/97/83/622359783.db2.gz XKPHYAYQNPBWQP-UHFFFAOYSA-N 0 0 314.429 3.181 20 10 DGCDRN Cc1cc(C(=O)N2Cc3cccnc3C2)c(C)n1-c1ccccn1 ZINC000767063480 622372616 /nfs/dbraw/zinc/37/26/16/622372616.db2.gz JKOQFVLCLSJWMB-UHFFFAOYSA-N 0 0 318.380 3.040 20 10 DGCDRN C/C(=C\C(=O)N(CC1CC1)c1cccc(F)c1)c1cnccn1 ZINC000869716543 622395339 /nfs/dbraw/zinc/39/53/39/622395339.db2.gz BZVJSEZPQAPDOD-UKTHLTGXSA-N 0 0 311.360 3.462 20 10 DGCDRN COc1cccc(CNc2cnc3cc(F)c(F)cc3n2)c1O ZINC000122790911 622406215 /nfs/dbraw/zinc/40/62/15/622406215.db2.gz ZNCWCZXFUZRHOP-UHFFFAOYSA-N 0 0 317.295 3.234 20 10 DGCDRN Cc1cc(=O)oc2cc(N(C)C(=O)/C=C\c3cccnc3)ccc12 ZINC000805349858 622406440 /nfs/dbraw/zinc/40/64/40/622406440.db2.gz GDVAOIYGVMYOQM-YVMONPNESA-N 0 0 320.348 3.173 20 10 DGCDRN COc1cc(C)c(NCc2cc3c(cc2O)OCO3)cc1C ZINC000767737809 622419438 /nfs/dbraw/zinc/41/94/38/622419438.db2.gz LQOSKXUGEXAGNH-UHFFFAOYSA-N 0 0 301.342 3.358 20 10 DGCDRN CCc1cc(C)c(C(=O)NCc2ccc3c(c2)CCCN3C)o1 ZINC000767916630 622428042 /nfs/dbraw/zinc/42/80/42/622428042.db2.gz IYCSRNWHQFAMAN-UHFFFAOYSA-N 0 0 312.413 3.463 20 10 DGCDRN Cn1c2ccccc2nc1C(C)(C)NC(=O)C1=CC(=O)CS1 ZINC000839799801 622436865 /nfs/dbraw/zinc/43/68/65/622436865.db2.gz OUFLPRNMTQRYOA-UHFFFAOYSA-N 0 0 315.398 3.006 20 10 DGCDRN CCN(CC)c1ccc(CN2CCCC[C@H]2C(=O)OC)cc1 ZINC000768216242 622446011 /nfs/dbraw/zinc/44/60/11/622446011.db2.gz UEKAJTYXYMWLNA-KRWDZBQOSA-N 0 0 304.434 3.060 20 10 DGCDRN CC(C)O[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2O)C1(C)C ZINC000768450552 622457442 /nfs/dbraw/zinc/45/74/42/622457442.db2.gz QXOQYONEFQXIFX-HZPDHXFCSA-N 0 0 320.433 3.126 20 10 DGCDRN C[C@@H]1CCc2ccccc2N1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768462121 622458252 /nfs/dbraw/zinc/45/82/52/622458252.db2.gz JPPFFUAGPOINJF-KZULUSFZSA-N 0 0 311.381 3.159 20 10 DGCDRN CCN(CC)c1ccc(CN[C@H](C(=O)OC)C(C)(C)C)cc1 ZINC000768524801 622461903 /nfs/dbraw/zinc/46/19/03/622461903.db2.gz QOFNWMKZNHZLBB-MRXNPFEDSA-N 0 0 306.450 3.210 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1cccnn1 ZINC000768578637 622465553 /nfs/dbraw/zinc/46/55/53/622465553.db2.gz HFUKRVKDQDLCCQ-UHFFFAOYSA-N 0 0 320.396 3.123 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCC(C)(C)C2)c1 ZINC000768765681 622475511 /nfs/dbraw/zinc/47/55/11/622475511.db2.gz FTOXGGKOBUSMGO-RYUDHWBXSA-N 0 0 306.406 3.340 20 10 DGCDRN COc1cccc(O)c1CN(C)Cc1ccn(-c2ccccc2)n1 ZINC000768918523 622485280 /nfs/dbraw/zinc/48/52/80/622485280.db2.gz KNOUUAHOSKTIDT-UHFFFAOYSA-N 0 0 323.396 3.219 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1csc(C=O)c1 ZINC000769289454 622513911 /nfs/dbraw/zinc/51/39/11/622513911.db2.gz FVLSGJDYAJXOBH-UHFFFAOYSA-N 0 0 303.383 3.319 20 10 DGCDRN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCN(C2CC2)C1 ZINC000769325892 622517725 /nfs/dbraw/zinc/51/77/25/622517725.db2.gz CKVBCYGKJZZZPK-CYBMUJFWSA-N 0 0 315.244 3.368 20 10 DGCDRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccccc1O ZINC000769362838 622520647 /nfs/dbraw/zinc/52/06/47/622520647.db2.gz KNBMYMKUYVNVDZ-UWWQBHOKSA-N 0 0 319.445 3.486 20 10 DGCDRN COc1ccccc1CC(C)(C)C(=O)NCc1ccccc1O ZINC000769364449 622520682 /nfs/dbraw/zinc/52/06/82/622520682.db2.gz GDXJNOHQEGTNBD-UHFFFAOYSA-N 0 0 313.397 3.286 20 10 DGCDRN COc1ccc(CCCC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871200941 622566458 /nfs/dbraw/zinc/56/64/58/622566458.db2.gz NWIPTFYBXLVYJM-UHFFFAOYSA-N 0 0 311.381 3.266 20 10 DGCDRN O=C(c1cccc([C@H]2CCOC2)c1)N1Cc2cccc(O)c2C1 ZINC000871203811 622567108 /nfs/dbraw/zinc/56/71/08/622567108.db2.gz RLJNQWSPMXOPNV-INIZCTEOSA-N 0 0 309.365 3.052 20 10 DGCDRN CC[C@H]1CCCC[C@@H]1OCC(=O)N1Cc2cccc(O)c2C1 ZINC000871203512 622567135 /nfs/dbraw/zinc/56/71/35/622567135.db2.gz AYKLMSGNCNTYFC-GUYCJALGSA-N 0 0 303.402 3.220 20 10 DGCDRN COc1ccc(C[C@H](C)C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871203044 622567275 /nfs/dbraw/zinc/56/72/75/622567275.db2.gz LDTFOQWXPHAVCQ-ZDUSSCGKSA-N 0 0 311.381 3.122 20 10 DGCDRN CC(C)[C@H]1C[C@H](CC(=O)N2Cc3cccc(O)c3C2)CCO1 ZINC000871205058 622567929 /nfs/dbraw/zinc/56/79/29/622567929.db2.gz VBQXXHKDSBSWGG-CXAGYDPISA-N 0 0 303.402 3.076 20 10 DGCDRN CC[C@H](C)Oc1cc(C(=O)N2Cc3cccc(O)c3C2)ccn1 ZINC000871204669 622568161 /nfs/dbraw/zinc/56/81/61/622568161.db2.gz OKQNJOUSMKSJKY-LBPRGKRZSA-N 0 0 312.369 3.121 20 10 DGCDRN O=C(c1ccc2c(c1)CCCC2=O)N1Cc2cccc(O)c2C1 ZINC000871204763 622568218 /nfs/dbraw/zinc/56/82/18/622568218.db2.gz JYYKJSUQAJENGT-UHFFFAOYSA-N 0 0 307.349 3.067 20 10 DGCDRN COc1ccc([C@H](C)CC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871204276 622568279 /nfs/dbraw/zinc/56/82/79/622568279.db2.gz WZWMZFWUVOUBRX-CYBMUJFWSA-N 0 0 311.381 3.437 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H]2CCc3c2cccc3Cl)c(O)c1O ZINC000770487996 622638197 /nfs/dbraw/zinc/63/81/97/622638197.db2.gz ZHXZEKSUOGLUGL-CQSZACIVSA-N 0 0 317.772 3.477 20 10 DGCDRN Cc1ccc(C(=O)NCC2(c3cccc(F)c3)CC2)c(O)c1O ZINC000770501315 622639848 /nfs/dbraw/zinc/63/98/48/622639848.db2.gz FLOZZQVCFCRKDL-UHFFFAOYSA-N 0 0 315.344 3.007 20 10 DGCDRN CN1CCCc2cc(CNC(=O)CCCC(F)(F)F)ccc21 ZINC000770715099 622663256 /nfs/dbraw/zinc/66/32/56/622663256.db2.gz AZHSLZMLQYCPFZ-UHFFFAOYSA-N 0 0 314.351 3.418 20 10 DGCDRN C[C@@H]1[C@@H](C)CN1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000888585564 622678370 /nfs/dbraw/zinc/67/83/70/622678370.db2.gz MZQABQLUNCIVEG-QWHCGFSZSA-N 0 0 321.384 3.268 20 10 DGCDRN O=C(NCC1(c2ccccc2)CCC1)c1c(F)ccc(O)c1O ZINC000789946866 625586290 /nfs/dbraw/zinc/58/62/90/625586290.db2.gz QVEQJJHWSQOKGR-UHFFFAOYSA-N 0 0 315.344 3.089 20 10 DGCDRN NC(=O)c1ccc(CCOc2ccc(N3CCCC3)cc2)cc1 ZINC000871736438 622685973 /nfs/dbraw/zinc/68/59/73/622685973.db2.gz KQJSIZFBLXPJQG-UHFFFAOYSA-N 0 0 310.397 3.007 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)O[C@@H]1CCO[C@@H]1C ZINC000771036518 622706898 /nfs/dbraw/zinc/70/68/98/622706898.db2.gz LFOPQRSTCQUUPV-TZMCWYRMSA-N 0 0 305.399 3.490 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCC(=O)C1CC1 ZINC000771484987 622765287 /nfs/dbraw/zinc/76/52/87/622765287.db2.gz AMSGYVRNOPVPRG-UHFFFAOYSA-N 0 0 310.397 3.111 20 10 DGCDRN CSc1ccc(OCCOC(=O)C2=CC(=O)CS2)cc1 ZINC000805450204 622795470 /nfs/dbraw/zinc/79/54/70/622795470.db2.gz RTPQGTJKPRLKBB-UHFFFAOYSA-N 0 0 310.396 3.411 20 10 DGCDRN CCCOC(=O)[C@H](C)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000771791309 622796388 /nfs/dbraw/zinc/79/63/88/622796388.db2.gz MQVGGEODSRIYEG-AWEZNQCLSA-N 0 0 304.434 3.059 20 10 DGCDRN COc1ccc(N2CCN(C(=O)[C@@H](C)CC(C)(C)C)CC2)cc1 ZINC000771869813 622807012 /nfs/dbraw/zinc/80/70/12/622807012.db2.gz YOBPASMNTQUMGV-HNNXBMFYSA-N 0 0 318.461 3.416 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2(OC(C)C)CCC2)c1 ZINC000872117143 622817373 /nfs/dbraw/zinc/81/73/73/622817373.db2.gz ZAMSECDIVZHLBV-ZDUSSCGKSA-N 0 0 321.417 3.177 20 10 DGCDRN COC1(C(=O)NCc2ccc(N(C)C)cc2C)CCCCC1 ZINC000772064715 622842186 /nfs/dbraw/zinc/84/21/86/622842186.db2.gz NMOKXJJRLUYPJU-UHFFFAOYSA-N 0 0 304.434 3.027 20 10 DGCDRN O=C(Nc1nc2c(s1)CCCCC2)c1cccc(O)c1O ZINC000790069098 625599698 /nfs/dbraw/zinc/59/96/98/625599698.db2.gz JDFGSKKFDBTSNS-UHFFFAOYSA-N 0 0 304.371 3.076 20 10 DGCDRN C[C@H](Nc1nccc(N2CCCC2)n1)c1ccc(N(C)C)cc1 ZINC000772299290 622881827 /nfs/dbraw/zinc/88/18/27/622881827.db2.gz FMDMRLQGPYXFGG-AWEZNQCLSA-N 0 0 311.433 3.316 20 10 DGCDRN Cc1cn2nc(N[C@@H](C)c3ccc(N(C)C)cc3)sc2n1 ZINC000772302032 622882460 /nfs/dbraw/zinc/88/24/60/622882460.db2.gz ZPRMOGRQGDYVCA-NSHDSACASA-N 0 0 301.419 3.338 20 10 DGCDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccccc1O ZINC000772411752 622895099 /nfs/dbraw/zinc/89/50/99/622895099.db2.gz ZALNIRQIQBULHP-UHFFFAOYSA-N 0 0 320.732 3.192 20 10 DGCDRN Cc1cc(NCc2ccc(N3CCCC3)cc2)c2cnn(C)c2n1 ZINC000872408940 622906973 /nfs/dbraw/zinc/90/69/73/622906973.db2.gz PFTCRWJBVKLJGA-UHFFFAOYSA-N 0 0 321.428 3.489 20 10 DGCDRN COc1ccc(N(Cc2cn(C)nn2)Cc2ccccc2)cc1 ZINC000772598997 622916990 /nfs/dbraw/zinc/91/69/90/622916990.db2.gz KTNMCPKQVJSGHR-UHFFFAOYSA-N 0 0 308.385 3.031 20 10 DGCDRN CCN1C(=O)/C(=C\c2cncc3ccccc23)SC1=S ZINC000772802112 622942440 /nfs/dbraw/zinc/94/24/40/622942440.db2.gz KVPISWDVFPHFDM-NTUHNPAUSA-N 0 0 300.408 3.456 20 10 DGCDRN CC(C)[C@]1(C)C[C@@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000772946155 622955459 /nfs/dbraw/zinc/95/54/59/622955459.db2.gz HUKRFUHEOCOFRR-APWZRJJASA-N 0 0 300.446 3.367 20 10 DGCDRN C[C@H](NC(=O)C[C@@H]1CSCCS1)c1ccc(N(C)C)cc1 ZINC000773001601 622963806 /nfs/dbraw/zinc/96/38/06/622963806.db2.gz VOCSCLOIEOMCQD-SWLSCSKDSA-N 0 0 324.515 3.169 20 10 DGCDRN C[C@@H](NC(=O)[C@H]1CC1(Cl)Cl)c1ccc(N(C)C)cc1 ZINC000773008889 622964733 /nfs/dbraw/zinc/96/47/33/622964733.db2.gz HYTOZXRMKCYDGS-BXKDBHETSA-N 0 0 301.217 3.124 20 10 DGCDRN Cc1cc(C)n([C@H](C)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000773009114 622965698 /nfs/dbraw/zinc/96/56/98/622965698.db2.gz PDBHXQWPIPKNBW-LSDHHAIUSA-N 0 0 314.433 3.004 20 10 DGCDRN COc1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000773012180 622967399 /nfs/dbraw/zinc/96/73/99/622967399.db2.gz SOSMJMIPUXYGCS-LBPRGKRZSA-N 0 0 316.376 3.391 20 10 DGCDRN C[C@H](NC(=O)Cc1c[nH]c2ncccc12)c1ccc(N(C)C)cc1 ZINC000773012332 622967513 /nfs/dbraw/zinc/96/75/13/622967513.db2.gz BDRCRPCIMJLBGY-ZDUSSCGKSA-N 0 0 322.412 3.049 20 10 DGCDRN C[C@H](NC(=O)c1cnc2ccccc2n1)c1ccc(N(C)C)cc1 ZINC000773017407 622967947 /nfs/dbraw/zinc/96/79/47/622967947.db2.gz GLFCJKDLFZKCCC-ZDUSSCGKSA-N 0 0 320.396 3.187 20 10 DGCDRN CC(C)c1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)n(C)n1 ZINC000773015985 622968122 /nfs/dbraw/zinc/96/81/22/622968122.db2.gz RSDLHWHPCHMXON-CYBMUJFWSA-N 0 0 314.433 3.101 20 10 DGCDRN Cc1ccccc1OCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773017485 622968290 /nfs/dbraw/zinc/96/82/90/622968290.db2.gz GSGMXSJMKRTOOO-HNNXBMFYSA-N 0 0 312.413 3.317 20 10 DGCDRN C[C@@H](NC(=O)Cc1ccc(F)c(F)c1)c1ccc(N(C)C)cc1 ZINC000773018138 622968423 /nfs/dbraw/zinc/96/84/23/622968423.db2.gz HNULCXCZCAMJOR-GFCCVEGCSA-N 0 0 318.367 3.451 20 10 DGCDRN C[C@@H](NC(=O)Cc1ccccc1F)c1ccc(N(C)C)cc1 ZINC000773019346 622969263 /nfs/dbraw/zinc/96/92/63/622969263.db2.gz KVNAYOUPGZGWFC-CYBMUJFWSA-N 0 0 300.377 3.312 20 10 DGCDRN C[C@@H](NC(=O)NCCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000773115495 622986393 /nfs/dbraw/zinc/98/63/93/622986393.db2.gz ZGDOUHMMFMTXII-OAHLLOKOSA-N 0 0 311.429 3.356 20 10 DGCDRN C[C@@H](NC(=O)NCc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000773117348 622986743 /nfs/dbraw/zinc/98/67/43/622986743.db2.gz PXXULCACQIVCHC-CYBMUJFWSA-N 0 0 315.392 3.452 20 10 DGCDRN C[C@@H](NC(=O)NCCc1ccsc1)c1ccc(N(C)C)cc1 ZINC000773188900 622996930 /nfs/dbraw/zinc/99/69/30/622996930.db2.gz UBMRDUIDTCUUEQ-CYBMUJFWSA-N 0 0 317.458 3.417 20 10 DGCDRN COc1c(C)cc(C(=O)NCc2ccc(N(C)C)cc2)cc1C ZINC000773203249 622998896 /nfs/dbraw/zinc/99/88/96/622998896.db2.gz LPOMOUMVMWSDNG-UHFFFAOYSA-N 0 0 312.413 3.308 20 10 DGCDRN CC(C)CCOCCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773242165 623004261 /nfs/dbraw/zinc/00/42/61/623004261.db2.gz BCKHDAZUQCHZGV-HNNXBMFYSA-N 0 0 321.465 3.176 20 10 DGCDRN O=[N+]([O-])c1cnccc1N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773255765 623005954 /nfs/dbraw/zinc/00/59/54/623005954.db2.gz RPDVTXVZXINGQN-UHFFFAOYSA-N 0 0 316.748 3.332 20 10 DGCDRN CSCC[C@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773309590 623010655 /nfs/dbraw/zinc/01/06/55/623010655.db2.gz YDDOSPNNXNHFBU-QWHCGFSZSA-N 0 0 309.479 3.254 20 10 DGCDRN COc1ncc(/C=C/C(=O)N2C[C@@H](C(C)C)c3ccccc32)cn1 ZINC000773328996 623013413 /nfs/dbraw/zinc/01/34/13/623013413.db2.gz YDZNADYVFDZHKN-FDMDGMSGSA-N 0 0 323.396 3.285 20 10 DGCDRN CS[C@H](C)CCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000773478068 623033321 /nfs/dbraw/zinc/03/33/21/623033321.db2.gz YYCSVXYWZSLYPD-GFCCVEGCSA-N 0 0 307.459 3.419 20 10 DGCDRN CCCOc1ccc(CN[C@@H](C)c2nnc(CC)[nH]2)cc1C ZINC000873097223 623035860 /nfs/dbraw/zinc/03/58/60/623035860.db2.gz KJORQRMTRGDYAR-ZDUSSCGKSA-N 0 0 302.422 3.315 20 10 DGCDRN CC[C@@H](NCc1ccc(OC)c(Cn2cccn2)c1)C(F)F ZINC000873129563 623042807 /nfs/dbraw/zinc/04/28/07/623042807.db2.gz RHMLDDXGFADVJG-CQSZACIVSA-N 0 0 309.360 3.073 20 10 DGCDRN Cc1nccnc1[C@H](C)NCc1c(O)cccc1Br ZINC000873186638 623065883 /nfs/dbraw/zinc/06/58/83/623065883.db2.gz TWQJSNQGAHPXIN-JTQLQIEISA-N 0 0 322.206 3.104 20 10 DGCDRN Cc1cccc([C@H](C)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000773748293 623066316 /nfs/dbraw/zinc/06/63/16/623066316.db2.gz JLUXKJWPLAJLHL-KGLIPLIRSA-N 0 0 313.397 3.257 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(C)s1 ZINC000773748526 623066326 /nfs/dbraw/zinc/06/63/26/623066326.db2.gz LMZCYOMMGPVULB-SECBINFHSA-N 0 0 305.399 3.137 20 10 DGCDRN Cc1ccc2[nH]c(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cc2c1 ZINC000773751011 623067715 /nfs/dbraw/zinc/06/77/15/623067715.db2.gz ZEIWKRAHBVFEPB-LBPRGKRZSA-N 0 0 324.380 3.249 20 10 DGCDRN CCn1ncc(NCc2cc(Br)ccc2O)c1C ZINC000873196319 623071159 /nfs/dbraw/zinc/07/11/59/623071159.db2.gz SMHLFNZVNBKUHI-UHFFFAOYSA-N 0 0 310.195 3.292 20 10 DGCDRN CCOC(=O)[C@@H](C)N(Cc1ccc(N(C)CC)cc1)C1CC1 ZINC000773887128 623084830 /nfs/dbraw/zinc/08/48/30/623084830.db2.gz BIQPZBFZILEYKV-CQSZACIVSA-N 0 0 304.434 3.059 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)c1ccccn1 ZINC000773886972 623085059 /nfs/dbraw/zinc/08/50/59/623085059.db2.gz XJXJYVFCPDSEJS-OAHLLOKOSA-N 0 0 311.429 3.300 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCCN(C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774137141 623111481 /nfs/dbraw/zinc/11/14/81/623111481.db2.gz VUIONIRYMVFXOT-VHSXEESVSA-N 0 0 303.233 3.444 20 10 DGCDRN CC[S@@](=O)CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774181040 623116643 /nfs/dbraw/zinc/11/66/43/623116643.db2.gz DPCBIJGKXHQPQR-DCXZOGHSSA-N 0 0 310.246 3.118 20 10 DGCDRN Cc1cc(N[C@H](C)c2ccc(F)cc2O)cc(OCCO)c1 ZINC000774508616 623153651 /nfs/dbraw/zinc/15/36/51/623153651.db2.gz KSONSQSLTWJCPH-GFCCVEGCSA-N 0 0 305.349 3.384 20 10 DGCDRN COc1c([O-])c(C[NH2+]CCCC2CCCC2)ccc1[N+](=O)[O-] ZINC000774941001 623210318 /nfs/dbraw/zinc/21/03/18/623210318.db2.gz GLQPKQRDIINHGT-UHFFFAOYSA-N 0 0 308.378 3.369 20 10 DGCDRN COc1c([O-])c(C[NH2+]C[C@H]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000774972865 623212625 /nfs/dbraw/zinc/21/26/25/623212625.db2.gz DKJZKVSJNQYGLJ-NEPJUHHUSA-N 0 0 308.378 3.225 20 10 DGCDRN COc1c([O-])c(C[NH2+]C[C@H]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000774972869 623212745 /nfs/dbraw/zinc/21/27/45/623212745.db2.gz DKJZKVSJNQYGLJ-RYUDHWBXSA-N 0 0 308.378 3.225 20 10 DGCDRN COc1c([O-])c(C[NH2+]C2[C@@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774980899 623213551 /nfs/dbraw/zinc/21/35/51/623213551.db2.gz FAYHCNGBOFQFQU-QWRGUYRKSA-N 0 0 308.378 3.223 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NCCC2=CCCCC2)cc1 ZINC000873824061 623214023 /nfs/dbraw/zinc/21/40/23/623214023.db2.gz SAHNNLNFEDBOGE-UHFFFAOYSA-N 0 0 300.362 3.469 20 10 DGCDRN COc1c([O-])c(C[NH2+]C/C=C/c2ccccc2)ccc1[N+](=O)[O-] ZINC000775016788 623216543 /nfs/dbraw/zinc/21/65/43/623216543.db2.gz WRPZUUUOPDKJOG-VMPITWQZSA-N 0 0 314.341 3.112 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@@H]2CCCCC2(C)C)ccc1[N+](=O)[O-] ZINC000775036821 623219296 /nfs/dbraw/zinc/21/92/96/623219296.db2.gz FZOHHVBHHDHMKX-CYBMUJFWSA-N 0 0 308.378 3.367 20 10 DGCDRN COc1c(O)c(CNc2ccc(SC)nc2)ccc1[N+](=O)[O-] ZINC000775052541 623221361 /nfs/dbraw/zinc/22/13/61/623221361.db2.gz RXQXEDANUKZHLN-UHFFFAOYSA-N 0 0 321.358 3.038 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CC[C@@]3(CC[C@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000775054250 623222168 /nfs/dbraw/zinc/22/21/68/623222168.db2.gz MFYKUKOWERIZNS-YVEFUNNKSA-N 0 0 320.389 3.321 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CC[C@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000775061635 623224315 /nfs/dbraw/zinc/22/43/15/623224315.db2.gz ZRSLEHGCHKJTTG-LBPRGKRZSA-N 0 0 308.378 3.177 20 10 DGCDRN CCCn1cc(C[NH2+]Cc2cccc(Br)c2[O-])cn1 ZINC000775151401 623235751 /nfs/dbraw/zinc/23/57/51/623235751.db2.gz FOQIPAJZEGYSDW-UHFFFAOYSA-N 0 0 324.222 3.051 20 10 DGCDRN CCN(CC)c1ccc(CNc2nc3ccccn3n2)cc1F ZINC000775170350 623237568 /nfs/dbraw/zinc/23/75/68/623237568.db2.gz DDLGLSAMJHLBKA-UHFFFAOYSA-N 0 0 313.380 3.327 20 10 DGCDRN CCC[C@]1(CO)CCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775178302 623238572 /nfs/dbraw/zinc/23/85/72/623238572.db2.gz VQYAOSRAWIIMBF-OAHLLOKOSA-N 0 0 301.789 3.312 20 10 DGCDRN C[C@H]1CCC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000874161323 623245858 /nfs/dbraw/zinc/24/58/58/623245858.db2.gz RJFXWIZGYISLID-RYUDHWBXSA-N 0 0 302.378 3.405 20 10 DGCDRN C[C@H](NCC(F)(F)C(F)F)c1ccc(N2CCOCC2)cc1 ZINC000775254511 623246491 /nfs/dbraw/zinc/24/64/91/623246491.db2.gz JRRWAVUKGIWQNM-NSHDSACASA-N 0 0 320.330 3.074 20 10 DGCDRN COc1cccc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)c1 ZINC000775291486 623249829 /nfs/dbraw/zinc/24/98/29/623249829.db2.gz JABVRGSLRZTILN-UHFFFAOYSA-N 0 0 321.398 3.127 20 10 DGCDRN CCCN(CC(F)(F)F)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874248268 623251646 /nfs/dbraw/zinc/25/16/46/623251646.db2.gz LEPFPSDWQHGDEA-UHFFFAOYSA-N 0 0 316.283 3.264 20 10 DGCDRN CCN(CC)c1ccc(CNc2cc(OC)n(C)n2)cc1F ZINC000775326324 623254697 /nfs/dbraw/zinc/25/46/97/623254697.db2.gz DMYZKPQOFUNFPO-UHFFFAOYSA-N 0 0 306.385 3.026 20 10 DGCDRN COCc1cnc(CN[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000775362497 623260222 /nfs/dbraw/zinc/26/02/22/623260222.db2.gz HMZWYWOMZKRRFY-LBPRGKRZSA-N 0 0 305.447 3.206 20 10 DGCDRN COCc1cnc(CN[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000775362495 623260245 /nfs/dbraw/zinc/26/02/45/623260245.db2.gz HMZWYWOMZKRRFY-GFCCVEGCSA-N 0 0 305.447 3.206 20 10 DGCDRN C[C@@H](NC(=O)c1c[nH]c2ncccc12)c1ccc(N(C)C)cc1 ZINC000775402297 623269707 /nfs/dbraw/zinc/26/97/07/623269707.db2.gz CHHDBQQFPZFWMK-GFCCVEGCSA-N 0 0 308.385 3.120 20 10 DGCDRN CC[C@H](NCc1ncn(-c2ccccc2)n1)c1ccccc1O ZINC000775414277 623272185 /nfs/dbraw/zinc/27/21/85/623272185.db2.gz HJBOHSCJHKMZNW-INIZCTEOSA-N 0 0 308.385 3.214 20 10 DGCDRN Cc1cc(C(=O)Nc2ccc(C)nc2)c(C)n1-c1ccccn1 ZINC000125014344 623273297 /nfs/dbraw/zinc/27/32/97/623273297.db2.gz SVZTYOJELPDQBV-UHFFFAOYSA-N 0 0 306.369 3.445 20 10 DGCDRN CCCn1cc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000775645747 623302309 /nfs/dbraw/zinc/30/23/09/623302309.db2.gz AQYDTHIARXFASJ-CYBMUJFWSA-N 0 0 315.421 3.242 20 10 DGCDRN CCc1noc(C)c1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775693023 623314751 /nfs/dbraw/zinc/31/47/51/623314751.db2.gz PXMVEACYOLGPDC-LLVKDONJSA-N 0 0 316.405 3.494 20 10 DGCDRN CCC[N@H+](C)C[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775723645 623319400 /nfs/dbraw/zinc/31/94/00/623319400.db2.gz CQZOVLXDWODVHX-LBPRGKRZSA-N 0 0 314.832 3.348 20 10 DGCDRN CC[NH+](CC)C[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775723348 623319790 /nfs/dbraw/zinc/31/97/90/623319790.db2.gz FQXGJQXNTHDTDU-LBPRGKRZSA-N 0 0 314.832 3.348 20 10 DGCDRN CN1CC[N@H+](Cc2cccc(Cl)c2[O-])C2(CCCCC2)C1 ZINC000775735813 623322044 /nfs/dbraw/zinc/32/20/44/623322044.db2.gz YJDYCQHUMZWPEA-UHFFFAOYSA-N 0 0 308.853 3.496 20 10 DGCDRN CC[C@H](O)CCNC(=O)c1sccc1-n1c(C)ccc1C ZINC000125137658 623336634 /nfs/dbraw/zinc/33/66/34/623336634.db2.gz IQAZLVWWSRMHJD-ZDUSSCGKSA-N 0 0 306.431 3.046 20 10 DGCDRN C[C@H]1CCCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000776127343 623381979 /nfs/dbraw/zinc/38/19/79/623381979.db2.gz NEVQVCGHDZMGFA-ZDUSSCGKSA-N 0 0 307.413 3.223 20 10 DGCDRN C[C@@H](CCc1ccccc1)NC(=O)N1Cc2cccc(O)c2C1 ZINC000874983170 623403517 /nfs/dbraw/zinc/40/35/17/623403517.db2.gz KDGNDGBIRZKZRH-AWEZNQCLSA-N 0 0 310.397 3.439 20 10 DGCDRN Cc1ccccc1-c1nc(CNCc2cc(F)ccc2O)no1 ZINC000776266878 623404105 /nfs/dbraw/zinc/40/41/05/623404105.db2.gz WYFWUGVNEKAJEZ-UHFFFAOYSA-N 0 0 313.332 3.180 20 10 DGCDRN CCNc1ncc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000776270102 623404146 /nfs/dbraw/zinc/40/41/46/623404146.db2.gz PWOYXCAUXJILPK-NSHDSACASA-N 0 0 318.446 3.132 20 10 DGCDRN CCOc1ccc2c(c1)[C@@H](NC(=O)C1=CC(=O)CS1)CCO2 ZINC000776270043 623404191 /nfs/dbraw/zinc/40/41/91/623404191.db2.gz OTSNURKBIATRPB-ZDUSSCGKSA-N 0 0 319.382 3.106 20 10 DGCDRN O=C(NCCSc1ccc(Cl)cc1)c1cccc(O)c1O ZINC000776316274 623411597 /nfs/dbraw/zinc/41/15/97/623411597.db2.gz IYIUCHQIKGVLAH-UHFFFAOYSA-N 0 0 323.801 3.273 20 10 DGCDRN C[C@@H](NC(=O)NCCOC1CCCCC1)c1ccccc1O ZINC000875131850 623419670 /nfs/dbraw/zinc/41/96/70/623419670.db2.gz SVOGCJJCAKYDCX-CYBMUJFWSA-N 0 0 306.406 3.102 20 10 DGCDRN CS[C@@H](C)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000125320613 623423756 /nfs/dbraw/zinc/42/37/56/623423756.db2.gz PCWKGTRYGVWMOI-LBPRGKRZSA-N 0 0 305.399 3.266 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(C)(F)CC1 ZINC000875301221 623435441 /nfs/dbraw/zinc/43/54/41/623435441.db2.gz OYZYIEXXIBDMQI-UHFFFAOYSA-N 0 0 307.413 3.095 20 10 DGCDRN C[C@@H](CNC(=O)N1Cc2cccc(O)c2C1)Cc1cccs1 ZINC000875314104 623436603 /nfs/dbraw/zinc/43/66/03/623436603.db2.gz WPDIDKGHGQWHQL-GFCCVEGCSA-N 0 0 316.426 3.358 20 10 DGCDRN O=C(NCCCSc1nccs1)N[C@H]1CCCC12CC2 ZINC000875374347 623443065 /nfs/dbraw/zinc/44/30/65/623443065.db2.gz ILLFUWJHKUBNEZ-NSHDSACASA-N 0 0 311.476 3.257 20 10 DGCDRN COCCC1(CNC(=O)N2Cc3cccc(O)c3C2)CCCC1 ZINC000875379339 623443809 /nfs/dbraw/zinc/44/38/09/623443809.db2.gz MHUPVATVVVFJCT-UHFFFAOYSA-N 0 0 318.417 3.014 20 10 DGCDRN CC(C)(C)[C@H]1C[C@H](NC(=O)N2Cc3cccc(O)c3C2)CCO1 ZINC000875439638 623450983 /nfs/dbraw/zinc/45/09/83/623450983.db2.gz ZDRGXVFLMWUVEJ-CZUORRHYSA-N 0 0 318.417 3.011 20 10 DGCDRN Cc1ccsc1CCNC(=O)N1Cc2cccc(O)c2C1 ZINC000875455053 623452178 /nfs/dbraw/zinc/45/21/78/623452178.db2.gz MKLWVCIBNQAUIH-UHFFFAOYSA-N 0 0 302.399 3.030 20 10 DGCDRN CSCC1CCC(NC(=O)NCc2cc(C)ccc2O)CC1 ZINC000875634133 623473869 /nfs/dbraw/zinc/47/38/69/623473869.db2.gz ZYHOQJDLWWXKCG-UHFFFAOYSA-N 0 0 322.474 3.422 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000875868014 623501462 /nfs/dbraw/zinc/50/14/62/623501462.db2.gz CGDBOXRKRPOZBY-WVZRYYJFSA-N 0 0 320.433 3.126 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)NCC(C)(C)F)C2CC2)cc1 ZINC000875944121 623512371 /nfs/dbraw/zinc/51/23/71/623512371.db2.gz DYNONAVYJIFCMR-UHFFFAOYSA-N 0 0 307.413 3.175 20 10 DGCDRN Cc1cc(F)c(C(=O)NCc2ccc(N(C)C)c(F)c2)cc1F ZINC000125721161 623535813 /nfs/dbraw/zinc/53/58/13/623535813.db2.gz WQNCVHVEYFZUEH-UHFFFAOYSA-N 0 0 322.330 3.408 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@@H]2CCSC2)c1 ZINC000790486274 625660273 /nfs/dbraw/zinc/66/02/73/625660273.db2.gz UXEKCZRKJZEYPB-JTQLQIEISA-N 0 0 316.264 3.306 20 10 DGCDRN Cc1ccc(/C=C/C(=O)N2CCN(C)c3cc(F)ccc32)cn1 ZINC000777864056 623577201 /nfs/dbraw/zinc/57/72/01/623577201.db2.gz IAIFQDHRFXFYET-VMPITWQZSA-N 0 0 311.360 3.025 20 10 DGCDRN CC[C@H](C)n1nc(C(=O)NCc2ccc(N(C)C)cc2)cc1C ZINC000777903799 623583016 /nfs/dbraw/zinc/58/30/16/623583016.db2.gz CSPBQGSRZNKHDH-ZDUSSCGKSA-N 0 0 314.433 3.159 20 10 DGCDRN CC[C@@H](C)n1nc(C(=O)NCc2ccc(N(C)C)cc2)cc1C ZINC000777903798 623583059 /nfs/dbraw/zinc/58/30/59/623583059.db2.gz CSPBQGSRZNKHDH-CYBMUJFWSA-N 0 0 314.433 3.159 20 10 DGCDRN COC1(CC(=O)NCc2ccc(N3CCCCC3)cc2)CCC1 ZINC000790523100 625664003 /nfs/dbraw/zinc/66/40/03/625664003.db2.gz JMRNGWFCBJCYMG-UHFFFAOYSA-N 0 0 316.445 3.252 20 10 DGCDRN CCN(Cc1ccc(N2CCC(O)CC2)cc1)CC(F)(F)F ZINC000876612835 623660434 /nfs/dbraw/zinc/66/04/34/623660434.db2.gz YRNWMKWIUOUDOE-UHFFFAOYSA-N 0 0 316.367 3.032 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C)[C@H](F)C2)cc1 ZINC000778620276 623677770 /nfs/dbraw/zinc/67/77/70/623677770.db2.gz JCPSHWLOCRADRQ-WMLDXEAASA-N 0 0 321.440 3.422 20 10 DGCDRN [O-]c1c(F)c(F)ccc1C[N@H+](CCCO)Cc1ccccc1 ZINC000876692321 623684169 /nfs/dbraw/zinc/68/41/69/623684169.db2.gz QALAELPADCOZPI-UHFFFAOYSA-N 0 0 307.340 3.055 20 10 DGCDRN Cc1ccc(CNc2ccc(N3CCOCC3)c(F)c2)c(O)c1 ZINC000876859925 623730217 /nfs/dbraw/zinc/73/02/17/623730217.db2.gz OTHAZHTVENISJB-UHFFFAOYSA-N 0 0 316.376 3.288 20 10 DGCDRN COc1cc(Cl)c(C)cc1NC(=O)c1cccc(O)c1O ZINC000126201845 623734565 /nfs/dbraw/zinc/73/45/65/623734565.db2.gz AKBIHCNXRDHJPJ-UHFFFAOYSA-N 0 0 307.733 3.321 20 10 DGCDRN [O-]c1c(C[NH2+]C[C@H](c2ccco2)N2CCCC2)ccc(F)c1F ZINC000876888104 623737312 /nfs/dbraw/zinc/73/73/12/623737312.db2.gz OVRLMENPPBMFJK-CQSZACIVSA-N 0 0 322.355 3.190 20 10 DGCDRN [O-]c1c(C[NH2+]Cc2ccc3c(c2)OCCCO3)ccc(F)c1F ZINC000877003707 623764324 /nfs/dbraw/zinc/76/43/24/623764324.db2.gz BZVCCSXCEUBMAR-UHFFFAOYSA-N 0 0 321.323 3.122 20 10 DGCDRN CCc1ccc([C@@H](COC)[NH2+]Cc2ccc(F)c(F)c2[O-])o1 ZINC000877043926 623774334 /nfs/dbraw/zinc/77/43/34/623774334.db2.gz SMROGNIQZNGBJV-CYBMUJFWSA-N 0 0 311.328 3.303 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1nc2ccccc2s1 ZINC000779488018 623774629 /nfs/dbraw/zinc/77/46/29/623774629.db2.gz ACJGDWVOXCDEEW-VURMDHGXSA-N 0 0 312.350 3.359 20 10 DGCDRN Cc1ccc2c(c1)CC[C@H]2NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779499614 623775058 /nfs/dbraw/zinc/77/50/58/623775058.db2.gz NPUHDFFYRGQPBQ-VCIFKONDSA-N 0 0 309.365 3.223 20 10 DGCDRN CC(C)c1csc(NC(=O)/C=C\c2ccc(O)c(O)c2)n1 ZINC000779499307 623775068 /nfs/dbraw/zinc/77/50/68/623775068.db2.gz NVFQTWNKFDKSHV-XQRVVYSFSA-N 0 0 304.371 3.330 20 10 DGCDRN CCN(C(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(OC)cc1 ZINC000779502328 623775236 /nfs/dbraw/zinc/77/52/36/623775236.db2.gz XZLSOBAEKSOAFR-WZUFQYTHSA-N 0 0 313.353 3.173 20 10 DGCDRN Cc1cc(NC(=O)N(C)Cc2ccccc2O)cc2n[nH]cc21 ZINC000779623516 623782448 /nfs/dbraw/zinc/78/24/48/623782448.db2.gz PDDXAKKBDTZHTR-UHFFFAOYSA-N 0 0 310.357 3.241 20 10 DGCDRN CN(C(=O)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12)c1ccc(N)cc1 ZINC000877074147 623784486 /nfs/dbraw/zinc/78/44/86/623784486.db2.gz AEAWCLOWAQGJEM-USXIJHARSA-N 0 0 312.800 3.471 20 10 DGCDRN CCc1ccc(C(=O)CCC(=O)N(C)c2ccc(N)cc2)cc1 ZINC000877080846 623786417 /nfs/dbraw/zinc/78/64/17/623786417.db2.gz OVFBTQKPTKDHOR-UHFFFAOYSA-N 0 0 310.397 3.457 20 10 DGCDRN COc1cccc(C2([NH2+]Cc3ccc(F)c(F)c3[O-])CC2)c1 ZINC000877084256 623787784 /nfs/dbraw/zinc/78/77/84/623787784.db2.gz FEATVMHXTZSJQF-UHFFFAOYSA-N 0 0 305.324 3.458 20 10 DGCDRN CC/C(C)=C(\C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000779874635 623825172 /nfs/dbraw/zinc/82/51/72/623825172.db2.gz RJLDWTLTRCEYRW-IYOXOMEYSA-N 0 0 316.445 3.447 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000790618907 625678961 /nfs/dbraw/zinc/67/89/61/625678961.db2.gz KLJDHYVWVUVIMJ-UHFFFAOYSA-N 0 0 319.767 3.393 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CC2(CCC2)c2c1cccc2F ZINC000790627710 625679536 /nfs/dbraw/zinc/67/95/36/625679536.db2.gz VZCCHTPIQZDSDD-UHFFFAOYSA-N 0 0 313.328 3.319 20 10 DGCDRN CC(C)(C)c1ccc(CNC(=O)Cc2ccc(N)cc2)s1 ZINC000877306322 623846339 /nfs/dbraw/zinc/84/63/39/623846339.db2.gz NBPZVIZONCSXMM-UHFFFAOYSA-N 0 0 302.443 3.487 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Nc2conc2C)cc1F ZINC000888745326 623861109 /nfs/dbraw/zinc/86/11/09/623861109.db2.gz MZRZLKRNFYFLDE-UHFFFAOYSA-N 0 0 320.368 3.290 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1nc(Cl)cs1 ZINC000877373418 623861274 /nfs/dbraw/zinc/86/12/74/623861274.db2.gz WMKRVTFCZVPCRW-UHFFFAOYSA-N 0 0 309.822 3.262 20 10 DGCDRN Cc1ccc(N2CCNC2=O)cc1NCc1c(C)cccc1O ZINC000877483124 623904857 /nfs/dbraw/zinc/90/48/57/623904857.db2.gz LKXOJFRQHFJXDR-UHFFFAOYSA-N 0 0 311.385 3.151 20 10 DGCDRN CCNC(=O)N(C)c1cccc(NCc2ccc(C)cc2O)c1 ZINC000877490666 623909082 /nfs/dbraw/zinc/90/90/82/623909082.db2.gz CLMJGAJWLQOMLT-UHFFFAOYSA-N 0 0 313.401 3.478 20 10 DGCDRN CO[C@](C)(C[NH2+]Cc1ccc(F)c(F)c1[O-])c1ccccc1 ZINC000877565199 623944761 /nfs/dbraw/zinc/94/47/61/623944761.db2.gz VEJYHDIGCIDBDO-QGZVFWFLSA-N 0 0 307.340 3.322 20 10 DGCDRN [O-]c1c(C[NH2+]C2CCC(OC(F)F)CC2)ccc(F)c1F ZINC000877572654 623946940 /nfs/dbraw/zinc/94/69/40/623946940.db2.gz GQZAOAJOXIVZFS-UHFFFAOYSA-N 0 0 307.287 3.310 20 10 DGCDRN [O-]c1c(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)ccc(F)c1F ZINC000877585389 623952114 /nfs/dbraw/zinc/95/21/14/623952114.db2.gz GKWVOFNMPHCGLX-DZGCQCFKSA-N 0 0 311.372 3.043 20 10 DGCDRN Cc1cnc(C)c(NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000877610136 623961018 /nfs/dbraw/zinc/96/10/18/623961018.db2.gz MEOPQJJCJLTHGQ-UHFFFAOYSA-N 0 0 311.429 3.272 20 10 DGCDRN [O-]c1c(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)ccc(F)c1F ZINC000877642850 623975735 /nfs/dbraw/zinc/97/57/35/623975735.db2.gz VIRXJJMQDPZGQG-CALCHBBNSA-N 0 0 309.356 3.063 20 10 DGCDRN [O-]c1c(C[N@H+]2CC[C@@H](c3ccc(O)cc3)C2)ccc(F)c1F ZINC000877660209 623980526 /nfs/dbraw/zinc/98/05/26/623980526.db2.gz JSDDCMKXFGYQKQ-GFCCVEGCSA-N 0 0 305.324 3.366 20 10 DGCDRN COC(=O)c1cc(CN(C)c2ccc(OC)c(Cl)c2)c[nH]1 ZINC000780778044 623982335 /nfs/dbraw/zinc/98/23/35/623982335.db2.gz ACMRLFCURCCNHR-UHFFFAOYSA-N 0 0 308.765 3.100 20 10 DGCDRN COc1cc(N(C)Cc2coc(C3CC3)n2)cc(OC)c1OC ZINC000780774793 623982525 /nfs/dbraw/zinc/98/25/25/623982525.db2.gz NXMAJQXULXIHKX-UHFFFAOYSA-N 0 0 318.373 3.214 20 10 DGCDRN CC1([NH+]2CCCC2)CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000877674065 623987302 /nfs/dbraw/zinc/98/73/02/623987302.db2.gz MBLTUKCJJVNRSX-UHFFFAOYSA-N 0 0 308.853 3.496 20 10 DGCDRN Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c1O ZINC000877681437 623989465 /nfs/dbraw/zinc/98/94/65/623989465.db2.gz GSUCWMMJAZIOPK-GIPNMCIBSA-N 0 0 314.223 3.119 20 10 DGCDRN COc1ccc2c(c1)CCCN2C(=O)c1ccc(C)c(O)c1O ZINC000780864268 623991837 /nfs/dbraw/zinc/99/18/37/623991837.db2.gz YCCVJULYSMMCNS-UHFFFAOYSA-N 0 0 313.353 3.008 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000877709473 624000765 /nfs/dbraw/zinc/00/07/65/624000765.db2.gz ACVJSGXYCKQKLH-IAQYHMDHSA-N 0 0 313.800 3.480 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cccc(O)c2)cc1F ZINC000780934038 624000826 /nfs/dbraw/zinc/00/08/26/624000826.db2.gz GEQQCJDKZPPTSY-UHFFFAOYSA-N 0 0 316.376 3.308 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000877709475 624001028 /nfs/dbraw/zinc/00/10/28/624001028.db2.gz ACVJSGXYCKQKLH-XHDPSFHLSA-N 0 0 313.800 3.480 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccc(OCC(F)F)cc2)c(O)c1O ZINC000780957994 624003855 /nfs/dbraw/zinc/00/38/55/624003855.db2.gz CCQHRFVUPSXHCI-UHFFFAOYSA-N 0 0 323.295 3.302 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)c(O)c1O ZINC000780966298 624005627 /nfs/dbraw/zinc/00/56/27/624005627.db2.gz YXTYNBMTWVWJOE-ZDUSSCGKSA-N 0 0 317.307 3.257 20 10 DGCDRN Cc1c(NC(=O)c2ccc(C)c(O)c2O)cnn1-c1ccccc1 ZINC000780986253 624008111 /nfs/dbraw/zinc/00/81/11/624008111.db2.gz LFYTZLVAMQEESA-UHFFFAOYSA-N 0 0 323.352 3.153 20 10 DGCDRN Cc1ccc(C(=O)N2CCc3ccccc3C2(C)C)c(O)c1O ZINC000781015144 624009807 /nfs/dbraw/zinc/00/98/07/624009807.db2.gz TUNQEASYOLRAPZ-UHFFFAOYSA-N 0 0 311.381 3.340 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC[C@@H](O)C1CCCC1 ZINC000877778660 624033757 /nfs/dbraw/zinc/03/37/57/624033757.db2.gz QCACLSHIAVLRHO-CQSZACIVSA-N 0 0 301.789 3.216 20 10 DGCDRN CCCN(CCC)c1ccc([C@H]2NC(=O)CN2CCC)cc1 ZINC000877857553 624071569 /nfs/dbraw/zinc/07/15/69/624071569.db2.gz ULKKMHYHWFDRIQ-SFHVURJKSA-N 0 0 303.450 3.153 20 10 DGCDRN COc1cc(Cl)cc([C@H]2NC(=O)c3cc(C)ccc3N2)c1O ZINC000877861800 624073207 /nfs/dbraw/zinc/07/32/07/624073207.db2.gz CINWOZKZMRZBOT-OAHLLOKOSA-N 0 0 318.760 3.217 20 10 DGCDRN C[C@H](c1ccccn1)N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000126768872 624080518 /nfs/dbraw/zinc/08/05/18/624080518.db2.gz RJEITSYANCAMQY-CQSZACIVSA-N 0 0 312.417 3.050 20 10 DGCDRN CC(C)[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(F)cc1 ZINC000790778690 625696760 /nfs/dbraw/zinc/69/67/60/625696760.db2.gz KETNZPHJFBSSDJ-OAHLLOKOSA-N 0 0 303.333 3.364 20 10 DGCDRN CCc1c(C(=O)NCc2ccccc2O)cnn1C(CC)CC ZINC000790794817 625699542 /nfs/dbraw/zinc/69/95/42/625699542.db2.gz SMJOGWRUQPGVAO-UHFFFAOYSA-N 0 0 315.417 3.442 20 10 DGCDRN COC1CC[NH+](Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000781894043 624165424 /nfs/dbraw/zinc/16/54/24/624165424.db2.gz DPMICAAKYIZFRZ-UHFFFAOYSA-N 0 0 314.223 3.074 20 10 DGCDRN CCOc1ccc(N(C)C[C@@H]2CCC3(CCOCC3)CO2)cc1 ZINC000878126228 624179847 /nfs/dbraw/zinc/17/98/47/624179847.db2.gz VDOLXSGJLGOZOR-SFHVURJKSA-N 0 0 319.445 3.497 20 10 DGCDRN CN(CC(=O)N(C)C1CC1)c1ccc(OCc2ccccc2)cc1 ZINC000781962686 624180290 /nfs/dbraw/zinc/18/02/90/624180290.db2.gz CMOOSZJUTSJTPF-UHFFFAOYSA-N 0 0 324.424 3.323 20 10 DGCDRN CCCN(Cc1ccccc1O)[C@@H](C)c1nc(C(=O)OC)co1 ZINC000878150298 624190523 /nfs/dbraw/zinc/19/05/23/624190523.db2.gz CPPWYANYWGFHNZ-LBPRGKRZSA-N 0 0 318.373 3.140 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCCOCC2)cc1 ZINC000782073208 624199344 /nfs/dbraw/zinc/19/93/44/624199344.db2.gz XAMHJLCOODTGAW-KRWDZBQOSA-N 0 0 318.461 3.308 20 10 DGCDRN Oc1ccc(Br)cc1CNc1cccc2c1OCO2 ZINC000782381583 624246048 /nfs/dbraw/zinc/24/60/48/624246048.db2.gz OFCVLCDRKPDKHM-UHFFFAOYSA-N 0 0 322.158 3.496 20 10 DGCDRN COCC[C@H](C)OC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000782483734 624256499 /nfs/dbraw/zinc/25/64/99/624256499.db2.gz SUSAUHWWOMHYCE-JTQLQIEISA-N 0 0 308.403 3.077 20 10 DGCDRN Cc1cnc(Cl)c(C(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000878531591 624299386 /nfs/dbraw/zinc/29/93/86/624299386.db2.gz NVUQABLSLYFLTL-UHFFFAOYSA-N 0 0 321.783 3.179 20 10 DGCDRN C[C@H](CC(=O)OCC(=O)c1ccc(O)c(O)c1)CC(C)(C)C ZINC000783063930 624306157 /nfs/dbraw/zinc/30/61/57/624306157.db2.gz VZOAIOLOATWQGO-LLVKDONJSA-N 0 0 308.374 3.286 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(C(F)F)n[nH]1 ZINC000878596486 624317421 /nfs/dbraw/zinc/31/74/21/624317421.db2.gz DWFMTDNYQHCNHX-UHFFFAOYSA-N 0 0 309.316 3.105 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(C)cnc2Cl)c1 ZINC000878730341 624350021 /nfs/dbraw/zinc/35/00/21/624350021.db2.gz HEZCFHTUMGATHQ-JTQLQIEISA-N 0 0 320.776 3.249 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000783596382 624372708 /nfs/dbraw/zinc/37/27/08/624372708.db2.gz WWYDHXKJBZPIOT-UHFFFAOYSA-N 0 0 302.201 3.311 20 10 DGCDRN OC[C@H]1CC(F)(F)CN1Cc1cc(-c2ccccc2)ccc1O ZINC000783703016 624385645 /nfs/dbraw/zinc/38/56/45/624385645.db2.gz OFVDKJVFBASHFQ-MRXNPFEDSA-N 0 0 319.351 3.261 20 10 DGCDRN Cc1cn(C2CCCCC2)nc1NC(=O)c1cccc(O)c1O ZINC000790927946 625716389 /nfs/dbraw/zinc/71/63/89/625716389.db2.gz PNMXPMGTAVBSPB-UHFFFAOYSA-N 0 0 315.373 3.360 20 10 DGCDRN CCONC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000790930612 625717447 /nfs/dbraw/zinc/71/74/47/625717447.db2.gz BCOABHMBXZCRFV-UHFFFAOYSA-N 0 0 306.793 3.358 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cccnc1C1CC1 ZINC000784005578 624419815 /nfs/dbraw/zinc/41/98/15/624419815.db2.gz ORAWGEIZFBSAQI-UHFFFAOYSA-N 0 0 309.413 3.263 20 10 DGCDRN C[C@H](NC(=O)c1cccc(O)c1O)c1ccc2ncsc2c1 ZINC000790945313 625718683 /nfs/dbraw/zinc/71/86/83/625718683.db2.gz JLXWFFGARXVASR-VIFPVBQESA-N 0 0 314.366 3.199 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)N1CCOc2c(Cl)cccc21 ZINC000784073190 624432602 /nfs/dbraw/zinc/43/26/02/624432602.db2.gz JQLFOPWAEAOACV-AATRIKPKSA-N 0 0 314.772 3.482 20 10 DGCDRN CC[C@@H](C(=O)NCc1cc(OC)ccc1O)c1ccc(F)cc1 ZINC000127524488 624434949 /nfs/dbraw/zinc/43/49/49/624434949.db2.gz OBAMWRYTXYQUOY-MRXNPFEDSA-N 0 0 317.360 3.350 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2CCCC(=O)OC(C)(C)C ZINC000784220399 624456468 /nfs/dbraw/zinc/45/64/68/624456468.db2.gz BCNGNJDDXDNCRG-UHFFFAOYSA-N 0 0 320.433 3.073 20 10 DGCDRN C[C@H]1C[C@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CO1 ZINC000784312011 624494357 /nfs/dbraw/zinc/49/43/57/624494357.db2.gz HYHIZAHAUVXPPJ-RDJZCZTQSA-N 0 0 316.445 3.060 20 10 DGCDRN Cc1ccc(Cl)cc1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784352492 624509084 /nfs/dbraw/zinc/50/90/84/624509084.db2.gz QMFZYJQNCCOPOL-UHFFFAOYSA-N 0 0 320.728 3.099 20 10 DGCDRN O=C(NCc1ccccc1O)c1ccc(C(F)(F)F)c(F)c1 ZINC000784443382 624524583 /nfs/dbraw/zinc/52/45/83/624524583.db2.gz BPMOHEWQRUWBCH-UHFFFAOYSA-N 0 0 313.250 3.480 20 10 DGCDRN CC1([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCC(F)(F)CC1 ZINC000784622282 624560301 /nfs/dbraw/zinc/56/03/01/624560301.db2.gz YALDDSIQDQVGNF-UHFFFAOYSA-N 0 0 300.305 3.358 20 10 DGCDRN CC[C@](C)(O)CN(Cc1ccccc1)C(=O)C1=CC(=O)CS1 ZINC000784814017 624583616 /nfs/dbraw/zinc/58/36/16/624583616.db2.gz VTXLHJGSWCSUHD-KRWDZBQOSA-N 0 0 319.426 3.257 20 10 DGCDRN CC[C@H]1CC[C@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)CC1 ZINC000784861839 624589428 /nfs/dbraw/zinc/58/94/28/624589428.db2.gz NKHXIXVTWZYKAA-HAQNSBGRSA-N 0 0 306.358 3.040 20 10 DGCDRN COC(=O)c1ccc(OC)c(C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000879650175 624623214 /nfs/dbraw/zinc/62/32/14/624623214.db2.gz NCZGWCUBFOCYEL-LBPRGKRZSA-N 0 0 315.369 3.038 20 10 DGCDRN CCc1ccccc1CC(=O)NCc1ccc(N(C)C)cc1C ZINC000785590669 624693084 /nfs/dbraw/zinc/69/30/84/624693084.db2.gz SEGHCROXMQJQQM-UHFFFAOYSA-N 0 0 310.441 3.482 20 10 DGCDRN COC(=O)CCc1cccc(NCc2cc(F)ccc2O)c1 ZINC000786577841 624924840 /nfs/dbraw/zinc/92/48/40/624924840.db2.gz PZPIOBSMDPYEPX-UHFFFAOYSA-N 0 0 303.333 3.249 20 10 DGCDRN C[C@@H]1C[C@H]1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000786620708 624929262 /nfs/dbraw/zinc/92/92/62/624929262.db2.gz HYOZIQVPKSHKOB-MEBBXXQBSA-N 0 0 305.333 3.057 20 10 DGCDRN C[C@H](NC(=O)COc1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000786863578 624959375 /nfs/dbraw/zinc/95/93/75/624959375.db2.gz INXRRFXGKLPAEN-ZDUSSCGKSA-N 0 0 316.376 3.148 20 10 DGCDRN Cc1nc(C(C)C)ncc1C(=O)NCc1cc(Cl)ccc1O ZINC000880539730 624974575 /nfs/dbraw/zinc/97/45/75/624974575.db2.gz FHKMPCSMMHPSJO-UHFFFAOYSA-N 0 0 319.792 3.197 20 10 DGCDRN Cc1sccc1CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000787130976 624982240 /nfs/dbraw/zinc/98/22/40/624982240.db2.gz DWABRXVLSTWFCA-UHFFFAOYSA-N 0 0 315.438 3.500 20 10 DGCDRN CCOc1ccc(N(C)CCOCC(F)(F)C(F)F)cc1 ZINC000787252731 624992021 /nfs/dbraw/zinc/99/20/21/624992021.db2.gz XYYHDOYUWOXGRE-UHFFFAOYSA-N 0 0 309.303 3.439 20 10 DGCDRN Cc1cccc(CNc2ccc(C)c(N3CCNC3=O)c2)c1O ZINC000787311048 624999569 /nfs/dbraw/zinc/99/95/69/624999569.db2.gz CIGDWEUGEKIWIQ-UHFFFAOYSA-N 0 0 311.385 3.151 20 10 DGCDRN CCOC(=O)[C@H](C)N(Cc1cc(Cl)cc(C)c1O)C1CC1 ZINC000787439305 625011015 /nfs/dbraw/zinc/01/10/15/625011015.db2.gz CRSGYOXVEONEFR-NSHDSACASA-N 0 0 311.809 3.270 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccn(CCF)n1 ZINC000880768491 625042784 /nfs/dbraw/zinc/04/27/84/625042784.db2.gz SBORZZMMJKQYNR-UHFFFAOYSA-N 0 0 320.368 3.002 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cnc(CC3CC3)s2)c1 ZINC000880837626 625069615 /nfs/dbraw/zinc/06/96/15/625069615.db2.gz PWOJAKHLBVBZJV-UHFFFAOYSA-N 0 0 302.399 3.040 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000788593224 625221757 /nfs/dbraw/zinc/22/17/57/625221757.db2.gz GXPKGCVVBJZZEY-WDEREUQCSA-N 0 0 314.351 3.298 20 10 DGCDRN C[C@H](CC[S@@](C)=O)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788669813 625238995 /nfs/dbraw/zinc/23/89/95/625238995.db2.gz PNFWOCYEXBHTPZ-FDXSBTRWSA-N 0 0 323.380 3.219 20 10 DGCDRN C[C@@H](CO)CCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788685104 625243270 /nfs/dbraw/zinc/24/32/70/625243270.db2.gz GQCUBBBQKHNXEU-MNOVXSKESA-N 0 0 305.340 3.470 20 10 DGCDRN C[C@H](CN1CCC[C@H](C)C1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790956132 625722057 /nfs/dbraw/zinc/72/20/57/625722057.db2.gz OHDKYFPGSCJGMT-NWDGAFQWSA-N 0 0 314.832 3.395 20 10 DGCDRN CC[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)C1CCOCC1 ZINC000790970662 625726101 /nfs/dbraw/zinc/72/61/01/625726101.db2.gz MUNFTJJPALIFBB-CYBMUJFWSA-N 0 0 301.789 3.480 20 10 DGCDRN Cc1ccsc1[C@H](CO)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790972826 625726854 /nfs/dbraw/zinc/72/68/54/625726854.db2.gz HVKHNRGKVQZMEG-NSHDSACASA-N 0 0 315.797 3.378 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNc3ncnc(C)c3C)C2)cc1 ZINC000882479673 625737818 /nfs/dbraw/zinc/73/78/18/625737818.db2.gz BUOMHYPOIOWRNP-HNNXBMFYSA-N 0 0 312.417 3.040 20 10 DGCDRN C[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ncccc1F ZINC000791308258 625774360 /nfs/dbraw/zinc/77/43/60/625774360.db2.gz SLCGAQOPTQIOAW-ZDUSSCGKSA-N 0 0 315.392 3.049 20 10 DGCDRN CCOC(=O)c1cc(Sc2ncc(Cl)s2)nc(C)n1 ZINC000882636212 625774382 /nfs/dbraw/zinc/77/43/82/625774382.db2.gz PVLYCOUPLRNTFX-UHFFFAOYSA-N 0 0 315.807 3.223 20 10 DGCDRN CC[C@@]1(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)CCOC1 ZINC000791416401 625796741 /nfs/dbraw/zinc/79/67/41/625796741.db2.gz NHUCRNZNZVTGRX-LJQANCHMSA-N 0 0 312.413 3.393 20 10 DGCDRN Cc1cccc2c(CCC(=O)NCc3ccc(O)c(O)c3)c[nH]c21 ZINC000130005425 625806344 /nfs/dbraw/zinc/80/63/44/625806344.db2.gz KNTPPFNSPTZAOU-UHFFFAOYSA-N 0 0 324.380 3.137 20 10 DGCDRN Cc1cc(CC(=O)OC[C@H](C)O)c(C)n1-c1ccc(Cl)cc1 ZINC000791626603 625836925 /nfs/dbraw/zinc/83/69/25/625836925.db2.gz IPAIOOFAZXMRNZ-LBPRGKRZSA-N 0 0 321.804 3.214 20 10 DGCDRN CC1CCN(c2ccc(C[NH2+]Cc3ccncc3N)cc2)CC1 ZINC000882989947 625887046 /nfs/dbraw/zinc/88/70/46/625887046.db2.gz OXVMSJJDCGLZDA-UHFFFAOYSA-N 0 0 310.445 3.190 20 10 DGCDRN C[N@H+](CCC(=O)OC(C)(C)C)Cc1c([O-])ccc(Cl)c1F ZINC000792169505 625918073 /nfs/dbraw/zinc/91/80/73/625918073.db2.gz LCBXDBNXYBDNBK-UHFFFAOYSA-N 0 0 317.788 3.348 20 10 DGCDRN CO[C@]1(C)CCCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000792179001 625920282 /nfs/dbraw/zinc/92/02/82/625920282.db2.gz MOCSHFGNVLFLJD-KBXCAEBGSA-N 0 0 319.449 3.024 20 10 DGCDRN COCC[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccc(C)o1 ZINC000883083926 625921068 /nfs/dbraw/zinc/92/10/68/625921068.db2.gz CCCFYFDBGFDHBG-CQSZACIVSA-N 0 0 311.328 3.439 20 10 DGCDRN Oc1c(F)cc(F)cc1CNc1cccc2c1OCC[C@@H]2O ZINC000883088302 625923700 /nfs/dbraw/zinc/92/37/00/625923700.db2.gz AHPHDQQDYOJTRB-AWEZNQCLSA-N 0 0 307.296 3.098 20 10 DGCDRN CC[C@@H](C(=O)OC(C)(C)C)N(C)Cc1ccc(N(C)C)cc1 ZINC000792202472 625925522 /nfs/dbraw/zinc/92/55/22/625925522.db2.gz KEDFQQKWZYUTKJ-INIZCTEOSA-N 0 0 306.450 3.305 20 10 DGCDRN Cc1cc(C(=O)NC[C@@H]2CCCS2)c(C)n1-c1ccccn1 ZINC000131010277 625932280 /nfs/dbraw/zinc/93/22/80/625932280.db2.gz GPKPAYBBENGGPS-AWEZNQCLSA-N 0 0 315.442 3.115 20 10 DGCDRN CN(C)C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccc(F)cc1 ZINC000883120090 625932715 /nfs/dbraw/zinc/93/27/15/625932715.db2.gz SNLIIXSPMLFUMZ-MRXNPFEDSA-N 0 0 324.346 3.202 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)c2ccsc2)c1 ZINC000131084745 625942734 /nfs/dbraw/zinc/94/27/34/625942734.db2.gz CKDPXXBOJTZJHY-MNOVXSKESA-N 0 0 305.399 3.443 20 10 DGCDRN C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(Cl)cn1 ZINC000792446767 625945160 /nfs/dbraw/zinc/94/51/60/625945160.db2.gz DTWBLZAFPVYPAA-KFEJWOFMSA-N 0 0 318.760 3.037 20 10 DGCDRN COc1cccc([C@@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])OC)c1 ZINC000883184656 625959219 /nfs/dbraw/zinc/95/92/19/625959219.db2.gz BNLOWNGTAGFKBS-MRXNPFEDSA-N 0 0 323.339 3.156 20 10 DGCDRN COc1ccc2c(c1)CCCN2CC(=O)N(C(C)C)C(C)C ZINC000796306870 626037141 /nfs/dbraw/zinc/03/71/41/626037141.db2.gz XFSPYEXSGJWDRY-UHFFFAOYSA-N 0 0 304.434 3.093 20 10 DGCDRN CCC[C@]1([NH2+]Cc2cc(Cl)cc(C(C)=O)c2[O-])CCOC1 ZINC000796440563 626049778 /nfs/dbraw/zinc/04/97/78/626049778.db2.gz IHGJDKSYGMEKDR-INIZCTEOSA-N 0 0 311.809 3.297 20 10 DGCDRN CC[C@H]([NH2+]CCCN1C[C@H](C)O[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000796680475 626072902 /nfs/dbraw/zinc/07/29/02/626072902.db2.gz SPLLMPZQGQFJHB-ZQIUZPCESA-N 0 0 324.440 3.071 20 10 DGCDRN CC[C@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1ccc(F)cc1[O-] ZINC000796685980 626073128 /nfs/dbraw/zinc/07/31/28/626073128.db2.gz VHYCJIDBFYWSEA-HNNXBMFYSA-N 0 0 317.364 3.263 20 10 DGCDRN CC[C@@H]([NH2+]CCc1cnc(C2CC2)nc1)c1ccc(F)cc1[O-] ZINC000796846022 626089494 /nfs/dbraw/zinc/08/94/94/626089494.db2.gz DRIOQPBXBZHOOI-MRXNPFEDSA-N 0 0 315.392 3.482 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](CO)Cc1ccc(C)cc1)c1ccc(F)cc1[O-] ZINC000796959525 626099906 /nfs/dbraw/zinc/09/99/06/626099906.db2.gz RADZUEXAQMRSDG-SJLPKXTDSA-N 0 0 317.404 3.484 20 10 DGCDRN CCc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000797020625 626104883 /nfs/dbraw/zinc/10/48/83/626104883.db2.gz WEKIMLZBYKITKQ-XIKOKIGWSA-N 0 0 303.377 3.478 20 10 DGCDRN CNC(=O)Nc1cc(N[C@H](C)c2ccccc2O)ccc1F ZINC000797056623 626108816 /nfs/dbraw/zinc/10/88/16/626108816.db2.gz OYZSSVCJVKEVTB-SNVBAGLBSA-N 0 0 303.337 3.456 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2(C(F)(F)F)CC2)c1 ZINC000797071734 626110247 /nfs/dbraw/zinc/11/02/47/626110247.db2.gz UXRBGXOQBMXECK-VIFPVBQESA-N 0 0 317.307 3.172 20 10 DGCDRN CC1=C(C)CN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000797441209 626143249 /nfs/dbraw/zinc/14/32/49/626143249.db2.gz VWUVSZGJNYMRGA-UHFFFAOYSA-N 0 0 313.445 3.321 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NC[C@@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000797458520 626144434 /nfs/dbraw/zinc/14/44/34/626144434.db2.gz NCGVOTJBXBGOET-RDBSUJKOSA-N 0 0 320.433 3.272 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC(C)=C[C@H](C)C1 ZINC000797461171 626144834 /nfs/dbraw/zinc/14/48/34/626144834.db2.gz XORZYLKZUJZXNC-ZDUSSCGKSA-N 0 0 301.434 3.169 20 10 DGCDRN COc1ccc(CNC(=O)Nc2cc(F)ccc2C)c(O)c1 ZINC000797607433 626159227 /nfs/dbraw/zinc/15/92/27/626159227.db2.gz YDZPJXPWMZZTHI-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN COc1ccc(CNC(=O)Nc2ccc(SC)cc2)c(O)c1 ZINC000797610397 626159933 /nfs/dbraw/zinc/15/99/33/626159933.db2.gz NTHJWWRGCBVSCQ-UHFFFAOYSA-N 0 0 318.398 3.444 20 10 DGCDRN C[C@H]([NH2+]CCc1cncn1C)c1cccc(C(F)(F)F)c1[O-] ZINC000798183954 626200241 /nfs/dbraw/zinc/20/02/41/626200241.db2.gz XCOTYYAQZIOYKI-JTQLQIEISA-N 0 0 313.323 3.038 20 10 DGCDRN C[C@@H]1CCC[C@H]1CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000798393726 626215177 /nfs/dbraw/zinc/21/51/77/626215177.db2.gz YEVYUYRIRWFJRI-OCCSQVGLSA-N 0 0 307.413 3.127 20 10 DGCDRN CO[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000799351727 626294793 /nfs/dbraw/zinc/29/47/93/626294793.db2.gz GNELQGSZQSIQSZ-STQMWFEESA-N 0 0 314.223 3.202 20 10 DGCDRN CC(C)c1nnc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000799630975 626314267 /nfs/dbraw/zinc/31/42/67/626314267.db2.gz GEQMTCRXEYVEOV-LLVKDONJSA-N 0 0 318.446 3.219 20 10 DGCDRN CCOc1ccc(O)c(CN2CCC=C(Br)C2)c1 ZINC000799737033 626326158 /nfs/dbraw/zinc/32/61/58/626326158.db2.gz SHOFNMJBEQIJQE-UHFFFAOYSA-N 0 0 312.207 3.275 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)COc2ccsc2)cc1 ZINC000799905898 626335233 /nfs/dbraw/zinc/33/52/33/626335233.db2.gz VLOSVVJTWSQJHF-UHFFFAOYSA-N 0 0 318.442 3.290 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCCC[C@H]2C(F)F)c1O ZINC000800445801 626360896 /nfs/dbraw/zinc/36/08/96/626360896.db2.gz YYBATCFMDTYUDD-ZDUSSCGKSA-N 0 0 301.308 3.354 20 10 DGCDRN Cc1cc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)no1 ZINC000800502361 626365426 /nfs/dbraw/zinc/36/54/26/626365426.db2.gz AQKNIYYCGVNEIH-GJZGRUSLSA-N 0 0 315.417 3.231 20 10 DGCDRN FC(F)[C@H]1CCCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000800533159 626366357 /nfs/dbraw/zinc/36/63/57/626366357.db2.gz IRKNAKQDIPAAHE-MRXNPFEDSA-N 0 0 310.388 3.143 20 10 DGCDRN Cc1occc1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839917043 626370463 /nfs/dbraw/zinc/37/04/63/626370463.db2.gz YHLKQECZKJQDDM-CYBMUJFWSA-N 0 0 300.402 3.323 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CC(F)(F)F ZINC000839917116 626370494 /nfs/dbraw/zinc/37/04/94/626370494.db2.gz ZSQWDECYBQNHGE-LLVKDONJSA-N 0 0 302.340 3.061 20 10 DGCDRN Cc1nscc1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839920343 626373253 /nfs/dbraw/zinc/37/32/53/626373253.db2.gz PMFSTPLHDCIFHH-LBPRGKRZSA-N 0 0 317.458 3.187 20 10 DGCDRN COCCC[C@H](C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839920209 626373274 /nfs/dbraw/zinc/37/32/74/626373274.db2.gz NHXXSYXIVXFFGG-GOEBONIOSA-N 0 0 320.477 3.171 20 10 DGCDRN CCCCO[C@H](C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839920039 626373349 /nfs/dbraw/zinc/37/33/49/626373349.db2.gz ZXYDQBRBUAEGDT-JKSUJKDBSA-N 0 0 320.477 3.313 20 10 DGCDRN Cc1c(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)ccn1C ZINC000839921838 626373927 /nfs/dbraw/zinc/37/39/27/626373927.db2.gz NNJOQKKAAMBKJN-AWEZNQCLSA-N 0 0 313.445 3.069 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CSC1CC1 ZINC000839921603 626374063 /nfs/dbraw/zinc/37/40/63/626374063.db2.gz GIGSOXLPENAQMM-ZDUSSCGKSA-N 0 0 306.475 3.004 20 10 DGCDRN Cc1ccc(N2C(=O)/C(=C/c3cn(C)cn3)SC2=S)cc1 ZINC000800791728 626374376 /nfs/dbraw/zinc/37/43/76/626374376.db2.gz FDLYMFKCIVXZBU-QPEQYQDCSA-N 0 0 315.423 3.134 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000839922690 626379997 /nfs/dbraw/zinc/37/99/97/626379997.db2.gz YICSTAPOCHTQRB-VHSSKADRSA-N 0 0 300.446 3.154 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)co1 ZINC000839922802 626381156 /nfs/dbraw/zinc/38/11/56/626381156.db2.gz ZEXGONQXNRBYLC-ZDUSSCGKSA-N 0 0 300.402 3.323 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H](C)c2ccsc2)c(O)c1 ZINC000801066039 626392543 /nfs/dbraw/zinc/39/25/43/626392543.db2.gz JZJCWGFPYMKQFP-JTQLQIEISA-N 0 0 306.387 3.023 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C)cc(C)n1 ZINC000801084008 626394027 /nfs/dbraw/zinc/39/40/27/626394027.db2.gz VFWYNDXPDTWYTM-UHFFFAOYSA-N 0 0 311.429 3.427 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCC(C)(C)O1 ZINC000801548715 626409195 /nfs/dbraw/zinc/40/91/95/626409195.db2.gz NHEYUBBXCSYCEH-MRXNPFEDSA-N 0 0 305.418 3.479 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CC[C@@H](CC)O1 ZINC000801545647 626409255 /nfs/dbraw/zinc/40/92/55/626409255.db2.gz DBIVCIDIUAFUPQ-NVXWUHKLSA-N 0 0 305.418 3.479 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)C1CCC(=O)CC1 ZINC000801548760 626409324 /nfs/dbraw/zinc/40/93/24/626409324.db2.gz OZVWCNIQDBOCAU-UHFFFAOYSA-N 0 0 303.402 3.280 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1coc(CC)n1 ZINC000801549372 626409353 /nfs/dbraw/zinc/40/93/53/626409353.db2.gz LQXHYOXUKXTWSH-UHFFFAOYSA-N 0 0 302.374 3.385 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cc(C)nn1CC ZINC000801550087 626409634 /nfs/dbraw/zinc/40/96/34/626409634.db2.gz NHICTRZEOQSTCF-UHFFFAOYSA-N 0 0 315.417 3.360 20 10 DGCDRN CCCCN(Cc1nnc(C)n1C1CC1)Cc1ccccc1O ZINC000801595895 626411409 /nfs/dbraw/zinc/41/14/09/626411409.db2.gz VDWPNICTCNFCRK-UHFFFAOYSA-N 0 0 314.433 3.429 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1CSC1(C)C)c1ccc(N(C)C)cc1 ZINC000801764199 626417256 /nfs/dbraw/zinc/41/72/56/626417256.db2.gz SSFPCTDSQZRZTF-SMDDNHRTSA-N 0 0 307.463 3.007 20 10 DGCDRN CO[C@@H](COC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC000801848954 626421573 /nfs/dbraw/zinc/42/15/73/626421573.db2.gz DZYNCZYPYZCPER-PXAMLJHWSA-N 0 0 314.337 3.042 20 10 DGCDRN COc1c(O)c(CN2CCc3cc(F)ccc32)ccc1[N+](=O)[O-] ZINC000802657964 626565360 /nfs/dbraw/zinc/56/53/60/626565360.db2.gz XKFPJIPFKBIPMW-UHFFFAOYSA-N 0 0 318.304 3.011 20 10 DGCDRN C[C@H](NC(=O)Cc1ccc(Cl)cn1)c1ccc(N(C)C)cc1 ZINC000803120528 626595334 /nfs/dbraw/zinc/59/53/34/626595334.db2.gz JJPFGWQGCWPCHP-LBPRGKRZSA-N 0 0 317.820 3.221 20 10 DGCDRN C[C@@H](NC(=O)c1cnc(Cl)c(F)c1)c1ccc(N(C)C)cc1 ZINC000803218320 626598144 /nfs/dbraw/zinc/59/81/44/626598144.db2.gz UPQRRBTWDBUQMX-SNVBAGLBSA-N 0 0 321.783 3.431 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cccc(C)c2F)c1 ZINC000131215348 626608075 /nfs/dbraw/zinc/60/80/75/626608075.db2.gz VXEGXNMRWFQVRH-NSHDSACASA-N 0 0 303.333 3.339 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)c1ccc(F)cc1[O-] ZINC000883263284 626628665 /nfs/dbraw/zinc/62/86/65/626628665.db2.gz OJXFSUYBTHNECO-HIFRSBDPSA-N 0 0 323.408 3.158 20 10 DGCDRN CO[C@H]1C[C@H](C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000883272090 626631577 /nfs/dbraw/zinc/63/15/77/626631577.db2.gz DBIZOTGPKFOGEA-DCAQKATOSA-N 0 0 303.324 3.487 20 10 DGCDRN COc1ccc(N(C)C[C@H](O)COc2cccc(C)c2)cc1F ZINC000131426194 626638358 /nfs/dbraw/zinc/63/83/58/626638358.db2.gz GNCJBNJPKJPFND-HNNXBMFYSA-N 0 0 319.376 3.019 20 10 DGCDRN COC(=O)c1cc(CN(C)c2ccc(OC)cc2OC)oc1C ZINC000131590570 626656785 /nfs/dbraw/zinc/65/67/85/626656785.db2.gz WQNOIFAGGMJTKD-UHFFFAOYSA-N 0 0 319.357 3.028 20 10 DGCDRN CN(C)c1ccc(CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])cc1 ZINC000804330398 626670196 /nfs/dbraw/zinc/67/01/96/626670196.db2.gz URLIZGPSCJRGNB-UHFFFAOYSA-N 0 0 316.317 3.181 20 10 DGCDRN C[C@H](N[C@@H](C)C(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000883399342 626673133 /nfs/dbraw/zinc/67/31/33/626673133.db2.gz JXXXADCTCILJNW-QWRGUYRKSA-N 0 0 318.795 3.481 20 10 DGCDRN C[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(F)F ZINC000883406398 626674986 /nfs/dbraw/zinc/67/49/86/626674986.db2.gz PSMIPGGJUQXYPP-NSHDSACASA-N 0 0 313.348 3.328 20 10 DGCDRN COc1ccc(O)c([C@H](C)Nc2nc(C(F)(F)F)ns2)c1 ZINC000804430608 626678992 /nfs/dbraw/zinc/67/89/92/626678992.db2.gz BQLGRWJFBFEFKK-LURJTMIESA-N 0 0 319.308 3.444 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1nnc(-c2ccon2)s1 ZINC000804459613 626682856 /nfs/dbraw/zinc/68/28/56/626682856.db2.gz AMQIHEANCKRYCC-UHFFFAOYSA-N 0 0 315.402 3.180 20 10 DGCDRN C[C@H]([NH2+]CCN(C)C)c1cc(Br)cc(Cl)c1[O-] ZINC000806171493 626704187 /nfs/dbraw/zinc/70/41/87/626704187.db2.gz LDFQTOKYPMAUDJ-QMMMGPOBSA-N 0 0 321.646 3.020 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H](CO)c1cccnc1)c1cccc(Cl)c1[O-] ZINC000806178944 626704756 /nfs/dbraw/zinc/70/47/56/626704756.db2.gz MEMXDYBZDIQUKW-BBRMVZONSA-N 0 0 320.820 3.257 20 10 DGCDRN CCC[C@@]1(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCOC1 ZINC000807141849 626747350 /nfs/dbraw/zinc/74/73/50/626747350.db2.gz WPXTVEHVYNVFSD-RDTXWAMCSA-N 0 0 319.449 3.072 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H](C)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000807139267 626747401 /nfs/dbraw/zinc/74/74/01/626747401.db2.gz AVONNNLMCMUHRE-ZJUUUORDSA-N 0 0 303.328 3.064 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)NC[C@@H]2C=CCC2)C2CC2)cc1 ZINC000883835044 626754505 /nfs/dbraw/zinc/75/45/05/626754505.db2.gz YKBYHUZPJOYQIK-OAHLLOKOSA-N 0 0 313.445 3.393 20 10 DGCDRN C[C@@H]1CC[C@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000807555438 626759990 /nfs/dbraw/zinc/75/99/90/626759990.db2.gz ARJCSUPWZGRDCB-CXAGYDPISA-N 0 0 301.434 3.225 20 10 DGCDRN COc1cccc(CNC(=O)c2ccc(Cl)c(C)c2)c1O ZINC000133043710 626761919 /nfs/dbraw/zinc/76/19/19/626761919.db2.gz IPVDHOLIMKVABC-UHFFFAOYSA-N 0 0 305.761 3.293 20 10 DGCDRN CCCC[C@@H](COC)NC(=O)NCc1ccc(N(C)C)cc1C ZINC000133327349 626781528 /nfs/dbraw/zinc/78/15/28/626781528.db2.gz IEJUNYRMIKOUKS-INIZCTEOSA-N 0 0 321.465 3.065 20 10 DGCDRN CCCC[C@H](COC)NC(=O)NCc1ccc(N(C)C)cc1C ZINC000133327549 626781649 /nfs/dbraw/zinc/78/16/49/626781649.db2.gz IEJUNYRMIKOUKS-MRXNPFEDSA-N 0 0 321.465 3.065 20 10 DGCDRN CC(=O)c1ccc([N+](=O)[O-])cc1N(C)Cc1ccccc1O ZINC000808008738 626786595 /nfs/dbraw/zinc/78/65/95/626786595.db2.gz XBCYOVDRTDHSQF-UHFFFAOYSA-N 0 0 300.314 3.139 20 10 DGCDRN CC[C@@H](C)n1c(SCC(=O)C(C)=O)nnc1-c1ccccc1 ZINC000808021138 626787378 /nfs/dbraw/zinc/78/73/78/626787378.db2.gz BCJIDRZNLJXMMH-LLVKDONJSA-N 0 0 317.414 3.166 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@H+]3CC[C@H](OC)[C@H](C)C3)c2c1 ZINC000840127674 626790239 /nfs/dbraw/zinc/79/02/39/626790239.db2.gz TXNRUTFDYMFGIM-YJYMSZOUSA-N 0 0 315.413 3.411 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1ccc(Cl)cc1 ZINC000808094587 626792173 /nfs/dbraw/zinc/79/21/73/626792173.db2.gz AFNCAJBXJLSGFH-UHFFFAOYSA-N 0 0 324.804 3.390 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@H](C3CC3)C2)cc1OC ZINC000808124982 626794022 /nfs/dbraw/zinc/79/40/22/626794022.db2.gz DCYGFHGMIGFNJF-LBPRGKRZSA-N 0 0 306.362 3.238 20 10 DGCDRN CC[C@@]1(C)CC(=O)N(CN2CCCc3cc(OC)ccc32)C1 ZINC000808169843 626801878 /nfs/dbraw/zinc/80/18/78/626801878.db2.gz FVJUJXBAUHJFDX-SFHVURJKSA-N 0 0 302.418 3.054 20 10 DGCDRN Oc1cc2c(cc1CN1Cc3cccc(Cl)c3C1)OCO2 ZINC000808202673 626805345 /nfs/dbraw/zinc/80/53/45/626805345.db2.gz OGHVEJMFKFLSDJ-UHFFFAOYSA-N 0 0 303.745 3.290 20 10 DGCDRN C[C@H](NC(=O)N(C)CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000800113588 626809219 /nfs/dbraw/zinc/80/92/19/626809219.db2.gz GGDIFXISMGNLHY-JTQLQIEISA-N 0 0 303.328 3.017 20 10 DGCDRN CCN(CC)c1ccc(CNc2cnccc2-n2ccnn2)cc1 ZINC000808426094 626823352 /nfs/dbraw/zinc/82/33/52/626823352.db2.gz OENXPTGQRAIVCH-UHFFFAOYSA-N 0 0 322.416 3.121 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@H](C3CC3)C2)cc1 ZINC000808487878 626831770 /nfs/dbraw/zinc/83/17/70/626831770.db2.gz KLMQYPHWGQQGPH-INIZCTEOSA-N 0 0 301.434 3.084 20 10 DGCDRN CCCCN(C)C[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000808732917 626856510 /nfs/dbraw/zinc/85/65/10/626856510.db2.gz PAXWTPNVXVMLJS-RYUDHWBXSA-N 0 0 300.393 3.441 20 10 DGCDRN COc1ccc(Br)cc1C[NH2+]Cc1ccccc1O ZINC000134236951 626865653 /nfs/dbraw/zinc/86/56/53/626865653.db2.gz JWWUMGGPXOCLTH-UHFFFAOYSA-N 0 0 322.202 3.453 20 10 DGCDRN Oc1cc2c(cc1CN1CCO[C@H](CF)C1)oc1ccccc12 ZINC000840171050 626902642 /nfs/dbraw/zinc/90/26/42/626902642.db2.gz DWPNAAWVXSVLHO-CYBMUJFWSA-N 0 0 315.344 3.462 20 10 DGCDRN CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000135050847 626903791 /nfs/dbraw/zinc/90/37/91/626903791.db2.gz ZWGMULXMXRFWQL-GFCCVEGCSA-N 0 0 311.809 3.368 20 10 DGCDRN CCCN(Cc1ncc(CN(C)C)s1)Cc1ccccc1O ZINC000809556186 626920214 /nfs/dbraw/zinc/92/02/14/626920214.db2.gz DFLOLSFDOZUCLX-UHFFFAOYSA-N 0 0 319.474 3.323 20 10 DGCDRN Cc1cc(Cl)cc(CNc2cccc3c2CNC3=O)c1O ZINC000809722163 626941934 /nfs/dbraw/zinc/94/19/34/626941934.db2.gz NVYLNVWONZEOSM-UHFFFAOYSA-N 0 0 302.761 3.210 20 10 DGCDRN COc1ccc(O)c(CNc2cnn(C)c2-c2ccccc2)c1 ZINC000809726742 626942540 /nfs/dbraw/zinc/94/25/40/626942540.db2.gz VGIAWBYKMQDOPZ-UHFFFAOYSA-N 0 0 309.369 3.413 20 10 DGCDRN COC(=O)c1cccc(C[NH2+]Cc2cccc(Cl)c2[O-])c1 ZINC000809730631 626942644 /nfs/dbraw/zinc/94/26/44/626942644.db2.gz WIEUYZMFPUKDRO-UHFFFAOYSA-N 0 0 305.761 3.122 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccccc2O)cc1Br ZINC000135559664 626952054 /nfs/dbraw/zinc/95/20/54/626952054.db2.gz PZJRVARMTPPNTR-UHFFFAOYSA-N 0 0 320.186 3.393 20 10 DGCDRN Cc1ccc(O)c(CN2C[C@H](C)C(=O)N(C)c3ccccc32)c1 ZINC000809786372 626953368 /nfs/dbraw/zinc/95/33/68/626953368.db2.gz ZKNISKPLQYDDNM-AWEZNQCLSA-N 0 0 310.397 3.320 20 10 DGCDRN COc1ccccc1N(CCO)Cc1cc(Cl)cc(C)c1O ZINC000809792555 626954530 /nfs/dbraw/zinc/95/45/30/626954530.db2.gz AKBFQAGNAVISSO-UHFFFAOYSA-N 0 0 321.804 3.362 20 10 DGCDRN CN(C)c1ccc(OCc2csc(N(C)C3CC3)n2)cc1 ZINC000810001788 626967572 /nfs/dbraw/zinc/96/75/72/626967572.db2.gz LSWJITSKIHVHES-UHFFFAOYSA-N 0 0 303.431 3.387 20 10 DGCDRN Cc1ccc(NC(=O)COc2ccc(N(C)C)cc2)c(F)c1 ZINC000810001193 626967807 /nfs/dbraw/zinc/96/78/07/626967807.db2.gz ZRPWXFRQHQIVHG-UHFFFAOYSA-N 0 0 302.349 3.218 20 10 DGCDRN CCC[N@H+](CC)C[C@H](C)NCc1c([O-])ccc(Cl)c1F ZINC000810181166 626984908 /nfs/dbraw/zinc/98/49/08/626984908.db2.gz VXFADYVACJCVNO-NSHDSACASA-N 0 0 302.821 3.395 20 10 DGCDRN CCC[N@H+](CC)C[C@@H](C)NCc1c([O-])ccc(Cl)c1F ZINC000810180363 626985021 /nfs/dbraw/zinc/98/50/21/626985021.db2.gz VXFADYVACJCVNO-LLVKDONJSA-N 0 0 302.821 3.395 20 10 DGCDRN COCC[C@@H](COC)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000810256879 626993852 /nfs/dbraw/zinc/99/38/52/626993852.db2.gz IDXONKDRVZBQQP-ZJUUUORDSA-N 0 0 322.232 3.401 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NCC2CCC=CCC2)cc1 ZINC000886013527 627083764 /nfs/dbraw/zinc/08/37/64/627083764.db2.gz JGEVGISDCQOHEL-UHFFFAOYSA-N 0 0 300.362 3.325 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cccc2cn[nH]c21 ZINC000136975343 627104742 /nfs/dbraw/zinc/10/47/42/627104742.db2.gz KYIZBYBLYGCRMI-UHFFFAOYSA-N 0 0 309.369 3.321 20 10 DGCDRN O=C(CC1CCSCC1)NCCCSc1nccs1 ZINC000137271304 627114191 /nfs/dbraw/zinc/11/41/91/627114191.db2.gz RRVVWZGGUAXGBQ-UHFFFAOYSA-N 0 0 316.517 3.275 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1c([O-])cccc1F ZINC000886489499 627152236 /nfs/dbraw/zinc/15/22/36/627152236.db2.gz KHYUXJLOAMIQGH-VXGBXAGGSA-N 0 0 303.333 3.022 20 10 DGCDRN CCNC(=O)c1ccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)cc1 ZINC000886504147 627153993 /nfs/dbraw/zinc/15/39/93/627153993.db2.gz SSHOLHXAGRJENJ-LBPRGKRZSA-N 0 0 316.376 3.132 20 10 DGCDRN C[C@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)c1c([O-])cccc1F ZINC000886504119 627154043 /nfs/dbraw/zinc/15/40/43/627154043.db2.gz SBYWEMFMQQRSND-LBPRGKRZSA-N 0 0 322.424 3.219 20 10 DGCDRN COc1cccc(C[NH2+][C@H](C)c2c([O-])cccc2F)c1OC ZINC000886507727 627154510 /nfs/dbraw/zinc/15/45/10/627154510.db2.gz XAASBDSTBIFGHS-LLVKDONJSA-N 0 0 305.349 3.399 20 10 DGCDRN C[C@H]([NH2+][C@H](CO)[C@@H](C)c1ccccc1)c1c([O-])cccc1F ZINC000886547544 627160820 /nfs/dbraw/zinc/16/08/20/627160820.db2.gz NBKJJMXDPSHKNI-HEHGZKQESA-N 0 0 303.377 3.347 20 10 DGCDRN C[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1c([O-])cccc1F ZINC000886556937 627162899 /nfs/dbraw/zinc/16/28/99/627162899.db2.gz NOHHCYSUANTGTP-DIFFPNOSSA-N 0 0 307.340 3.229 20 10 DGCDRN C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886592576 627169115 /nfs/dbraw/zinc/16/91/15/627169115.db2.gz XNZMRRNJLJKNKL-GHMZBOCLSA-N 0 0 312.385 3.095 20 10 DGCDRN COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H](C)c2c([O-])cccc2F)C1 ZINC000886593913 627169406 /nfs/dbraw/zinc/16/94/06/627169406.db2.gz BOCMNCKOLOLDIW-UPJWGTAASA-N 0 0 324.396 3.049 20 10 DGCDRN Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2c([O-])cccc2F)cc1 ZINC000886596252 627169745 /nfs/dbraw/zinc/16/97/45/627169745.db2.gz ABBIVEPGLHWQPX-ZFWWWQNUSA-N 0 0 303.377 3.094 20 10 DGCDRN C[C@@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1c([O-])cccc1F ZINC000886635170 627177892 /nfs/dbraw/zinc/17/78/92/627177892.db2.gz XUQZRHOJOCDZCE-MRVPVSSYSA-N 0 0 315.270 3.191 20 10 DGCDRN C[C@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1c([O-])cccc1F ZINC000886637950 627178006 /nfs/dbraw/zinc/17/80/06/627178006.db2.gz ISSQWIICGJGPSN-NSHDSACASA-N 0 0 303.381 3.383 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](O)[C@@H](C)c1ccccc1)c1c([O-])cccc1F ZINC000886640101 627178459 /nfs/dbraw/zinc/17/84/59/627178459.db2.gz RJJGCBZDOOJLRJ-GDZNZVCISA-N 0 0 303.377 3.347 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000886676694 627187429 /nfs/dbraw/zinc/18/74/29/627187429.db2.gz KSJLYGLJCDEJKT-NVXWUHKLSA-N 0 0 321.367 3.315 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)[C@@H]2C)O1)c1c([O-])cccc1F ZINC000886769542 627202569 /nfs/dbraw/zinc/20/25/69/627202569.db2.gz WUKFAFRYIWBRRQ-BXTPVMGZSA-N 0 0 323.408 3.155 20 10 DGCDRN COC1(COC(=O)c2cc(C)n(-c3ccccn3)c2C)CCC1 ZINC000811174429 627253689 /nfs/dbraw/zinc/25/36/89/627253689.db2.gz PGRBZHGNIMOGRL-UHFFFAOYSA-N 0 0 314.385 3.215 20 10 DGCDRN CCCCN(C)C[C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000811511816 627285221 /nfs/dbraw/zinc/28/52/21/627285221.db2.gz VHRIZHJJAVZAAF-LLVKDONJSA-N 0 0 302.821 3.395 20 10 DGCDRN Cc1ccc2c(c1)/C(=C/c1cn(-c3ccccc3)nn1)C(=O)N2C ZINC000811699403 627307752 /nfs/dbraw/zinc/30/77/52/627307752.db2.gz TZLXRWZXZOVFHP-BOPFTXTBSA-N 0 0 316.364 3.093 20 10 DGCDRN CCN(C)c1ccc(/C=C2\c3cc(C)ccc3N(C)C2=O)cn1 ZINC000811699954 627307793 /nfs/dbraw/zinc/30/77/93/627307793.db2.gz BKYRLRXMUSSABK-LFIBNONCSA-N 0 0 307.397 3.363 20 10 DGCDRN Cc1nn(C)c2ncc(/C=C3\c4cc(C)ccc4N(C)C3=O)cc12 ZINC000811699368 627307810 /nfs/dbraw/zinc/30/78/10/627307810.db2.gz SJCFQWHLGGYPLP-CXUHLZMHSA-N 0 0 318.380 3.102 20 10 DGCDRN CN(C)c1cccnc1CNC(=S)Nc1ccc(Cl)cc1 ZINC000811709580 627309412 /nfs/dbraw/zinc/30/94/12/627309412.db2.gz BKJRPVNCUFFHBT-UHFFFAOYSA-N 0 0 320.849 3.288 20 10 DGCDRN COc1ccc(O)c(CNc2cc(OC)c(F)cc2[N+](=O)[O-])c1 ZINC000811805507 627323429 /nfs/dbraw/zinc/32/34/29/627323429.db2.gz VHHBJXHLNOGOEM-UHFFFAOYSA-N 0 0 322.292 3.069 20 10 DGCDRN CCc1c(Cl)nc(C)nc1NCc1cc(OC)ccc1O ZINC000811805294 627323432 /nfs/dbraw/zinc/32/34/32/627323432.db2.gz PCYJOOKCKUBWLL-UHFFFAOYSA-N 0 0 307.781 3.327 20 10 DGCDRN COc1ccc(O)c(CNc2ccc(Br)c(C)n2)c1 ZINC000811806048 627323477 /nfs/dbraw/zinc/32/34/77/627323477.db2.gz IHOXITSAFZWOAW-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN Oc1ccc(CCNc2ncc(C(F)(F)F)s2)cc1O ZINC000811811596 627324387 /nfs/dbraw/zinc/32/43/87/627324387.db2.gz YHRVABLSFFWWEC-UHFFFAOYSA-N 0 0 304.293 3.228 20 10 DGCDRN CCc1nc(Cl)c(C)c(NCCc2ccc(O)c(O)c2)n1 ZINC000811811531 627324400 /nfs/dbraw/zinc/32/44/00/627324400.db2.gz WZINJBVAYZGAFY-UHFFFAOYSA-N 0 0 307.781 3.067 20 10 DGCDRN Oc1c(Br)cccc1CNc1ccc(Cl)nn1 ZINC000811837129 627327555 /nfs/dbraw/zinc/32/75/55/627327555.db2.gz HLYODKWMKPUMAK-UHFFFAOYSA-N 0 0 314.570 3.210 20 10 DGCDRN Cc1cc(O)c(CNc2nc3cc(Cl)ccn3n2)cc1C ZINC000811840223 627328494 /nfs/dbraw/zinc/32/84/94/627328494.db2.gz SQWHAYAXAHRGDX-UHFFFAOYSA-N 0 0 302.765 3.317 20 10 DGCDRN CCn1c(CC2CCCC2)nnc1N(C)Cc1ccccc1O ZINC000812035659 627349259 /nfs/dbraw/zinc/34/92/59/627349259.db2.gz LJEFVNMEZPUGJN-UHFFFAOYSA-N 0 0 314.433 3.373 20 10 DGCDRN CC[C@H](CNC(=O)c1ccc(-n2c(C)ccc2C)cc1)OC ZINC000812368608 627376277 /nfs/dbraw/zinc/37/62/77/627376277.db2.gz XRQQHXYODKGTSU-QGZVFWFLSA-N 0 0 300.402 3.249 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC[C@@H](C)CCOC)cc1 ZINC000840263751 627412729 /nfs/dbraw/zinc/41/27/29/627412729.db2.gz WJEPHNXHGRQUFR-HNNXBMFYSA-N 0 0 321.465 3.005 20 10 DGCDRN CC[C@@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1ccc(F)cc1[O-] ZINC000812736984 627414859 /nfs/dbraw/zinc/41/48/59/627414859.db2.gz LCIFVONUAUOOFL-OAHLLOKOSA-N 0 0 317.408 3.385 20 10 DGCDRN COC[C@@H](C)[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000812881975 627432615 /nfs/dbraw/zinc/43/26/15/627432615.db2.gz IPUSUDXFZRNCPS-CVEARBPZSA-N 0 0 320.477 3.408 20 10 DGCDRN CCN(CC(C)(C)C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000813051665 627443574 /nfs/dbraw/zinc/44/35/74/627443574.db2.gz PLOTVLQYXYRJLH-UHFFFAOYSA-N 0 0 309.429 3.469 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NCC[C@@H]2CCC(F)(F)C2)cc1 ZINC000889996274 627492581 /nfs/dbraw/zinc/49/25/81/627492581.db2.gz WQHHYRUKWBMLJA-JTQLQIEISA-N 0 0 324.331 3.404 20 10 DGCDRN C[C@@H](NC(=O)C[C@@H]1CC(C)(C)CO1)c1ccc(N(C)C)cc1 ZINC000890031578 627495480 /nfs/dbraw/zinc/49/54/80/627495480.db2.gz ZCZJMDPYTQURPG-CZUORRHYSA-N 0 0 304.434 3.135 20 10 DGCDRN Cc1cc(C(=O)NCc2cn(C)cn2)c(C)n1-c1cccc(C)c1 ZINC000890119807 627504983 /nfs/dbraw/zinc/50/49/83/627504983.db2.gz OECHDHSXDKJCBZ-UHFFFAOYSA-N 0 0 322.412 3.066 20 10 DGCDRN C[C@@H](NC(=O)NCC1CC(F)(F)C1)c1ccc(N(C)C)cc1 ZINC000813720433 627508732 /nfs/dbraw/zinc/50/87/32/627508732.db2.gz UUKSNUUJCPLJFE-LLVKDONJSA-N 0 0 311.376 3.158 20 10 DGCDRN OC[C@@H]1Cc2ccccc2N(Cc2cc(Cl)cc(F)c2O)C1 ZINC000814169761 627545670 /nfs/dbraw/zinc/54/56/70/627545670.db2.gz MNDYMCTYMHCHRD-LLVKDONJSA-N 0 0 321.779 3.356 20 10 DGCDRN COCc1cc(NCc2cc(F)ccc2O)cc(C(=O)OC)c1 ZINC000814174479 627546495 /nfs/dbraw/zinc/54/64/95/627546495.db2.gz BGMHLZXFBZQIQC-UHFFFAOYSA-N 0 0 319.332 3.076 20 10 DGCDRN COc1ccc(/C=C2\SC(=S)N(C3CCC3)C2=O)cc1O ZINC000814185647 627548106 /nfs/dbraw/zinc/54/81/06/627548106.db2.gz MDWBXIQQSZLLFX-JYRVWZFOSA-N 0 0 321.423 3.155 20 10 DGCDRN COc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1Cl ZINC000814254735 627554436 /nfs/dbraw/zinc/55/44/36/627554436.db2.gz GFZKDAXESVICCL-UHFFFAOYSA-N 0 0 318.804 3.345 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC[C@@H](OC)C1 ZINC000814640629 627580991 /nfs/dbraw/zinc/58/09/91/627580991.db2.gz MRSODCQPKXBDNC-FUHWJXTLSA-N 0 0 318.461 3.306 20 10 DGCDRN COc1ccc2nc(N(C)Cc3ccccc3O)c(C)nc2c1 ZINC000814868324 627600122 /nfs/dbraw/zinc/60/01/22/627600122.db2.gz OGKIHVJWJRZFHY-UHFFFAOYSA-N 0 0 309.369 3.289 20 10 DGCDRN Cc1cc(CN[C@H](CO)c2c(F)cccc2F)ccc1N(C)C ZINC000815086242 627624251 /nfs/dbraw/zinc/62/42/51/627624251.db2.gz IVBFSHRVRXWISE-MRXNPFEDSA-N 0 0 320.383 3.162 20 10 DGCDRN Cc1cc(CN[C@@H](CO)c2c(F)cccc2F)ccc1N(C)C ZINC000815086241 627624447 /nfs/dbraw/zinc/62/44/47/627624447.db2.gz IVBFSHRVRXWISE-INIZCTEOSA-N 0 0 320.383 3.162 20 10 DGCDRN Cc1cc(CN2CC(=O)N(C)[C@H]2c2ccccc2)ccc1N(C)C ZINC000815100783 627627001 /nfs/dbraw/zinc/62/70/01/627627001.db2.gz UYEYMNAJIQNGNY-HXUWFJFHSA-N 0 0 323.440 3.034 20 10 DGCDRN CCN(C)c1ccc(CN2C[C@H](C(F)(F)F)OC[C@@H]2C)cc1 ZINC000815116187 627629108 /nfs/dbraw/zinc/62/91/08/627629108.db2.gz DDQWDQBAIANEMN-SWLSCSKDSA-N 0 0 316.367 3.294 20 10 DGCDRN CC(F)(F)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000815147470 627637266 /nfs/dbraw/zinc/63/72/66/627637266.db2.gz WMLZOQGIWVYNDM-UHFFFAOYSA-N 0 0 313.348 3.330 20 10 DGCDRN C[C@H]([NH2+]C[C@](C)(O)C1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815577976 627686120 /nfs/dbraw/zinc/68/61/20/627686120.db2.gz DYSJEFQHBDEJPU-XPTSAGLGSA-N 0 0 303.324 3.223 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1c(Cl)cncc1Cl ZINC000815796783 627704562 /nfs/dbraw/zinc/70/45/62/627704562.db2.gz LZFGHOYYKVAJRK-UHFFFAOYSA-N 0 0 311.168 3.366 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@@H](OC)C1 ZINC000815797293 627704648 /nfs/dbraw/zinc/70/46/48/627704648.db2.gz KJJFUFHNCHCZQW-GDBMZVCRSA-N 0 0 305.418 3.336 20 10 DGCDRN CO[C@@H]1CCC[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000815835735 627706872 /nfs/dbraw/zinc/70/68/72/627706872.db2.gz DAFCHZRLZGYMPM-LSDHHAIUSA-N 0 0 317.429 3.092 20 10 DGCDRN CC[C@H](c1ccc(F)cc1[O-])[N@@H+]1CCOc2ccc(N)cc2C1 ZINC000925753883 627788515 /nfs/dbraw/zinc/78/85/15/627788515.db2.gz KUHRAQMFAWMOLC-MRXNPFEDSA-N 0 0 316.376 3.459 20 10 DGCDRN Cc1cc(C(=O)OCC[C@H]2CCOC2)c(C)n1-c1ccccn1 ZINC000816442859 627790256 /nfs/dbraw/zinc/79/02/56/627790256.db2.gz BKDPJMDJGJUSCP-OAHLLOKOSA-N 0 0 314.385 3.073 20 10 DGCDRN CC[C@@H](N[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000925784781 627794764 /nfs/dbraw/zinc/79/47/64/627794764.db2.gz NTUUEFJKIZZOGD-GGZOMVNGSA-N 0 0 303.233 3.348 20 10 DGCDRN CC[C@H](N[C@@H]1C[NH2+]C[C@H]1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000925782168 627794793 /nfs/dbraw/zinc/79/47/93/627794793.db2.gz DSGUGBIAQYRFPI-OXHMUOHRSA-N 0 0 303.233 3.348 20 10 DGCDRN Oc1c(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)ccc2ccccc21 ZINC000816520870 627801911 /nfs/dbraw/zinc/80/19/11/627801911.db2.gz AFXCHDSNLQBQKV-HNNXBMFYSA-N 0 0 322.412 3.049 20 10 DGCDRN C[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])N1CCCCC1 ZINC000816536736 627804355 /nfs/dbraw/zinc/80/43/55/627804355.db2.gz IKANQNSZTCIBPJ-LLVKDONJSA-N 0 0 300.805 3.149 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@]1(CO)CCc2ccccc21 ZINC000816558630 627807363 /nfs/dbraw/zinc/80/73/63/627807363.db2.gz HHRTZGKXIHIDIS-KRWDZBQOSA-N 0 0 321.779 3.108 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000816567569 627809269 /nfs/dbraw/zinc/80/92/69/627809269.db2.gz FSUSKLATAGPVKT-GFCCVEGCSA-N 0 0 313.800 3.433 20 10 DGCDRN Cc1ccccc1C[C@@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816588483 627811938 /nfs/dbraw/zinc/81/19/38/627811938.db2.gz PHIPQMKDTRQTNX-AWEZNQCLSA-N 0 0 323.795 3.186 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000816603320 627813015 /nfs/dbraw/zinc/81/30/15/627813015.db2.gz FOIVQUWXVUFHTA-UHFFFAOYSA-N 0 0 319.767 3.393 20 10 DGCDRN Cn1ncc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])c1Cl ZINC000816612166 627814331 /nfs/dbraw/zinc/81/43/31/627814331.db2.gz IHJXOCQKHCCUCW-UHFFFAOYSA-N 0 0 320.607 3.376 20 10 DGCDRN C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816608640 627814643 /nfs/dbraw/zinc/81/46/43/627814643.db2.gz FPDHZYCWPNUNEN-WCQYABFASA-N 0 0 312.816 3.243 20 10 DGCDRN CCCN(CC)C[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816615659 627815522 /nfs/dbraw/zinc/81/55/22/627815522.db2.gz BOZMZJUOCFAEGN-LLVKDONJSA-N 0 0 302.821 3.395 20 10 DGCDRN Cn1ncc2ccc(C[NH2+]Cc3cc(Cl)c(F)cc3[O-])cc21 ZINC000816616044 627815692 /nfs/dbraw/zinc/81/56/92/627815692.db2.gz MZAGGVDFJJYFDW-UHFFFAOYSA-N 0 0 319.767 3.361 20 10 DGCDRN C[N@@H+]1CCC[C@]2(CCN(Cc3cc(Cl)cc(F)c3[O-])C2)C1 ZINC000816641893 627818205 /nfs/dbraw/zinc/81/82/05/627818205.db2.gz JIORZSLGNVWWKD-INIZCTEOSA-N 0 0 312.816 3.102 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCc3[nH]cnc3C2)cc1 ZINC000816651979 627820682 /nfs/dbraw/zinc/82/06/82/627820682.db2.gz VQISXPVQHMKUID-UHFFFAOYSA-N 0 0 320.396 3.016 20 10 DGCDRN CC(C)[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])CCCO1 ZINC000816674775 627823829 /nfs/dbraw/zinc/82/38/29/627823829.db2.gz KKFSXZACHZVAKV-AWEZNQCLSA-N 0 0 301.789 3.432 20 10 DGCDRN Cc1ccc(C(=O)N2CCC[C@H](c3ccccc3)C2)c(O)c1O ZINC000817115329 627856238 /nfs/dbraw/zinc/85/62/38/627856238.db2.gz VQBWGEQILKVUQF-HNNXBMFYSA-N 0 0 311.381 3.426 20 10 DGCDRN CS[C@@H](C)CNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840334439 627856370 /nfs/dbraw/zinc/85/63/70/627856370.db2.gz NHYVXGIZNXBWEW-KGLIPLIRSA-N 0 0 323.506 3.043 20 10 DGCDRN Cc1nn(C)c2nccc(NCc3ccc(N(C)C)cc3C)c12 ZINC000817119278 627857002 /nfs/dbraw/zinc/85/70/02/627857002.db2.gz YYHLEZCOAKPCMN-UHFFFAOYSA-N 0 0 309.417 3.263 20 10 DGCDRN Cc1nn(C)c2nccc(NCc3ccc(N(C)C)c(F)c3)c12 ZINC000817117948 627857117 /nfs/dbraw/zinc/85/71/17/627857117.db2.gz PTGLQTPDTFRYOT-UHFFFAOYSA-N 0 0 313.380 3.094 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(F)c1C ZINC000817432681 627900415 /nfs/dbraw/zinc/90/04/15/627900415.db2.gz ATABLZKXHXPYED-UHFFFAOYSA-N 0 0 300.377 3.439 20 10 DGCDRN CSC[C@H](O)COc1ccc(N2CCCCC2)c(Cl)c1 ZINC000817571491 627922815 /nfs/dbraw/zinc/92/28/15/627922815.db2.gz QVOWKDPJWWFHFS-GFCCVEGCSA-N 0 0 315.866 3.433 20 10 DGCDRN CON1CCC([NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000817588664 627927472 /nfs/dbraw/zinc/92/74/72/627927472.db2.gz QUWPDJSPNNPKAG-SECBINFHSA-N 0 0 319.232 3.375 20 10 DGCDRN O=C(NCc1cc(Br)ccc1O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000817601543 627928477 /nfs/dbraw/zinc/92/84/77/627928477.db2.gz ARAYBIWGXUPFMZ-AXFHLTTASA-N 0 0 324.218 3.207 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NC[C@@H]1CC12CCSCC2 ZINC000817786624 627948886 /nfs/dbraw/zinc/94/88/86/627948886.db2.gz XHIWHLQDXVCQGR-AWEZNQCLSA-N 0 0 320.458 3.067 20 10 DGCDRN Cc1cc(CN[C@@H](C)c2cnn(C)n2)c(C)n1-c1ccccc1 ZINC000926763540 627948973 /nfs/dbraw/zinc/94/89/73/627948973.db2.gz AYHPBQZYBPVUTP-AWEZNQCLSA-N 0 0 309.417 3.073 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCO[C@H](CC)C1 ZINC000817788956 627949411 /nfs/dbraw/zinc/94/94/11/627949411.db2.gz LWYOEGQVGPCGCE-JKSUJKDBSA-N 0 0 320.433 3.271 20 10 DGCDRN CN(C(=O)c1csc(Cc2ccc(N)cc2)n1)C1CCCC1 ZINC000817908170 627958804 /nfs/dbraw/zinc/95/88/04/627958804.db2.gz BGTVTTKYCRYUMT-UHFFFAOYSA-N 0 0 315.442 3.331 20 10 DGCDRN CC[C@H](C)CN(C)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817935026 627966357 /nfs/dbraw/zinc/96/63/57/627966357.db2.gz SYJUKRIZOPXDDY-LBPRGKRZSA-N 0 0 317.458 3.434 20 10 DGCDRN CC[C@@H]([NH2+][C@@H]1CCCNC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817940842 627968943 /nfs/dbraw/zinc/96/89/43/627968943.db2.gz LGBILDZLUCIXJL-BXKDBHETSA-N 0 0 303.233 3.492 20 10 DGCDRN C[C@@H]1[C@@H](C)CCN1C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817959595 627974753 /nfs/dbraw/zinc/97/47/53/627974753.db2.gz HIVTZTMJCXOTLE-NWDGAFQWSA-N 0 0 315.442 3.187 20 10 DGCDRN C[C@H](NCC(F)(F)CN)c1ccc(N2CCCCC2)c(F)c1 ZINC000817966361 627977890 /nfs/dbraw/zinc/97/78/90/627977890.db2.gz MCWLYIOQSFCQJB-LBPRGKRZSA-N 0 0 315.383 3.061 20 10 DGCDRN CC1(CCNC(=O)c2csc(Cc3ccc(N)cc3)n2)CC1 ZINC000818001172 627985064 /nfs/dbraw/zinc/98/50/64/627985064.db2.gz YQNSJORAAJBBNI-UHFFFAOYSA-N 0 0 315.442 3.236 20 10 DGCDRN C[C@@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1c([O-])cccc1F ZINC000926959318 627990077 /nfs/dbraw/zinc/99/00/77/627990077.db2.gz RHONCEPLKLKZMH-SKDRFNHKSA-N 0 0 308.319 3.065 20 10 DGCDRN COC1([C@@H](C)NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC000840355165 628007606 /nfs/dbraw/zinc/00/76/06/628007606.db2.gz XZJXRPMCHAAFQC-ZIAGYGMSSA-N 0 0 319.449 3.070 20 10 DGCDRN COC1([C@H](C)NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC000840355160 628007666 /nfs/dbraw/zinc/00/76/66/628007666.db2.gz XZJXRPMCHAAFQC-KGLIPLIRSA-N 0 0 319.449 3.070 20 10 DGCDRN C[C@@H]([NH2+]Cc1cccc2c1OCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927091728 628012634 /nfs/dbraw/zinc/01/26/34/628012634.db2.gz RSEPEBACYQUEGV-LLVKDONJSA-N 0 0 314.341 3.086 20 10 DGCDRN CCn1nc(C)c(CN[C@H](C)c2cc(Cl)cc(C)c2O)n1 ZINC000818345812 628016365 /nfs/dbraw/zinc/01/63/65/628016365.db2.gz PJZMBEJPMQKFLG-SNVBAGLBSA-N 0 0 308.813 3.125 20 10 DGCDRN CC1(C)C[C@H](CNC(=O)N2Cc3cccc(O)c3C2)C(C)(C)O1 ZINC000927633137 628084839 /nfs/dbraw/zinc/08/48/39/628084839.db2.gz SBEGLKYIGIWIIT-CYBMUJFWSA-N 0 0 318.417 3.011 20 10 DGCDRN Cc1ccccc1[C@@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819165860 628103758 /nfs/dbraw/zinc/10/37/58/628103758.db2.gz FRBKAECVHWQHBS-CQSZACIVSA-N 0 0 324.380 3.226 20 10 DGCDRN CC[C@H]1CCCC[C@@H]1N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819165237 628103800 /nfs/dbraw/zinc/10/38/00/628103800.db2.gz RAVNKIZFHNMDST-ZFWWWQNUSA-N 0 0 316.401 3.125 20 10 DGCDRN CCCC[C@@H](CC)CN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819166516 628104367 /nfs/dbraw/zinc/10/43/67/628104367.db2.gz WRUYFGAFLUAMKZ-CQSZACIVSA-N 0 0 318.417 3.373 20 10 DGCDRN CC(C)(C)CCCCN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819167517 628104545 /nfs/dbraw/zinc/10/45/45/628104545.db2.gz CXOAXGYEWDNSQE-UHFFFAOYSA-N 0 0 318.417 3.373 20 10 DGCDRN CCC[C@H](C)CC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819583583 628171299 /nfs/dbraw/zinc/17/12/99/628171299.db2.gz XQYVTVAGKDUWNA-HOTGVXAUSA-N 0 0 318.461 3.464 20 10 DGCDRN CC(C)(C)c1ncsc1C(=O)NCc1c(O)cccc1F ZINC000928705799 628179367 /nfs/dbraw/zinc/17/93/67/628179367.db2.gz MYRXHNVWMCDEFM-UHFFFAOYSA-N 0 0 308.378 3.215 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@@H]1C[C@]12CCc1ccccc12 ZINC000928706751 628179387 /nfs/dbraw/zinc/17/93/87/628179387.db2.gz ZBZVPHFTSVSHQF-KXBFYZLASA-N 0 0 311.356 3.052 20 10 DGCDRN CCC(CC)n1nccc1C(=O)NCc1c(O)cccc1F ZINC000928705333 628179632 /nfs/dbraw/zinc/17/96/32/628179632.db2.gz JPYRYFPZYHHMQW-UHFFFAOYSA-N 0 0 305.353 3.019 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@H]1SCCc2sccc21 ZINC000928705486 628179661 /nfs/dbraw/zinc/17/96/61/628179661.db2.gz KNHFKRAXZWFFBI-AWEZNQCLSA-N 0 0 323.414 3.240 20 10 DGCDRN O=C(NCc1c(O)cccc1F)C12CC3CC(CC(C3)C1)C2 ZINC000928707818 628180186 /nfs/dbraw/zinc/18/01/86/628180186.db2.gz CIBUFKDJZXUNEZ-UHFFFAOYSA-N 0 0 303.377 3.364 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cccc(N2CCCC2)c1 ZINC000928710758 628180213 /nfs/dbraw/zinc/18/02/13/628180213.db2.gz JDTXKQBVNGODBU-UHFFFAOYSA-N 0 0 314.360 3.062 20 10 DGCDRN COc1ccccc1C(C)(C)C(=O)NCc1c(O)cccc1F ZINC000928711151 628180270 /nfs/dbraw/zinc/18/02/70/628180270.db2.gz FSDWSIQXNOJZSI-UHFFFAOYSA-N 0 0 317.360 3.134 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1csc(C)c1C ZINC000819761403 628186565 /nfs/dbraw/zinc/18/65/65/628186565.db2.gz PHICTNSAYIISMG-UHFFFAOYSA-N 0 0 310.415 3.486 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](C)C(=O)OC(C)(C)C ZINC000840397186 628187220 /nfs/dbraw/zinc/18/72/20/628187220.db2.gz TVMBHSMDZPRJOQ-ZDUSSCGKSA-N 0 0 321.417 3.109 20 10 DGCDRN COc1cccc(CNC(=O)NC[C@@H]2CCC[C@@H]2C2CC2)c1O ZINC000840398246 628190464 /nfs/dbraw/zinc/19/04/64/628190464.db2.gz WRXHMEXIDNGIMC-DZGCQCFKSA-N 0 0 318.417 3.026 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNc3ncccc3F)C2)cc1 ZINC000819935219 628201170 /nfs/dbraw/zinc/20/11/70/628201170.db2.gz LKEBHYZHQOZYAS-ZDUSSCGKSA-N 0 0 301.365 3.168 20 10 DGCDRN COc1ccc(N2CC[C@H](CNc3nc(C)cnc3C)C2)cc1 ZINC000819935496 628201443 /nfs/dbraw/zinc/20/14/43/628201443.db2.gz MNRHVHUVICSJBT-OAHLLOKOSA-N 0 0 312.417 3.040 20 10 DGCDRN COc1ccc(N2CC[C@H](CNc3ncccc3F)C2)cc1 ZINC000819935212 628201468 /nfs/dbraw/zinc/20/14/68/628201468.db2.gz LKEBHYZHQOZYAS-CYBMUJFWSA-N 0 0 301.365 3.168 20 10 DGCDRN CC(=O)CCCC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000820005721 628211312 /nfs/dbraw/zinc/21/13/12/628211312.db2.gz ALBMGACNBPGJND-UHFFFAOYSA-N 0 0 322.368 3.094 20 10 DGCDRN C[C@@H]1CCC[C@H](C)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820253953 628240164 /nfs/dbraw/zinc/24/01/64/628240164.db2.gz WHECKSQXWZFHEZ-NWDGAFQWSA-N 0 0 302.378 3.500 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCC[C@@H]1CC1(Cl)Cl ZINC000820450608 628259792 /nfs/dbraw/zinc/25/97/92/628259792.db2.gz LCJAJQJMDMNQQV-XCRNYIDWSA-N 0 0 317.168 3.238 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)C1(c2cc(C)no2)CC1 ZINC000820879942 628308344 /nfs/dbraw/zinc/30/83/44/628308344.db2.gz VHVJBTFCOSDGEQ-UHFFFAOYSA-N 0 0 314.385 3.159 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1C=CCC1 ZINC000821085596 628335891 /nfs/dbraw/zinc/33/58/91/628335891.db2.gz HQRUHIDZAVAFNS-INIZCTEOSA-N 0 0 301.434 3.391 20 10 DGCDRN O=C1CC[C@H](CN2CCCc3cc(OC(F)(F)F)ccc32)O1 ZINC000821391362 628363185 /nfs/dbraw/zinc/36/31/85/628363185.db2.gz JUSOAEJUZCDNEL-GFCCVEGCSA-N 0 0 315.291 3.043 20 10 DGCDRN CCn1cc(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)cn1 ZINC000821835832 628401766 /nfs/dbraw/zinc/40/17/66/628401766.db2.gz UBPOOLNKCMMMKM-UHFFFAOYSA-N 0 0 322.412 3.492 20 10 DGCDRN CO[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)C1CCCC1 ZINC000821841826 628402604 /nfs/dbraw/zinc/40/26/04/628402604.db2.gz GEQPGJRKZVXBQK-GOSISDBHSA-N 0 0 316.445 3.108 20 10 DGCDRN COc1ccc(N2CCN(C(=O)CCCC(C)C)CC2)cc1 ZINC000822197098 628429113 /nfs/dbraw/zinc/42/91/13/628429113.db2.gz KZHVZBLSZSQIKJ-UHFFFAOYSA-N 0 0 304.434 3.170 20 10 DGCDRN Cc1ccc(F)c(CC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000822226879 628431337 /nfs/dbraw/zinc/43/13/37/628431337.db2.gz LKEPIXHTOOLOIO-UHFFFAOYSA-N 0 0 300.377 3.059 20 10 DGCDRN Cc1cnccc1/C=C/C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000822265058 628434342 /nfs/dbraw/zinc/43/43/42/628434342.db2.gz HYRIARJIVUTBSE-JXMROGBWSA-N 0 0 309.413 3.128 20 10 DGCDRN Cc1ncccc1/C=C\C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000822265632 628434459 /nfs/dbraw/zinc/43/44/59/628434459.db2.gz UKLHCHVAWQGFJR-XFXZXTDPSA-N 0 0 309.413 3.128 20 10 DGCDRN CC[C@@](C)(C(=O)OC)[N@@H+](Cc1cccc(C)c1O)CC1CC1 ZINC000822504330 628458261 /nfs/dbraw/zinc/45/82/61/628458261.db2.gz RZBQRXNIVNQNLB-SFHVURJKSA-N 0 0 305.418 3.254 20 10 DGCDRN CCOC(=O)CN(Cc1ccc(Cl)o1)Cc1ccccc1O ZINC000822512195 628459345 /nfs/dbraw/zinc/45/93/45/628459345.db2.gz XKJFDCJTGWZELH-UHFFFAOYSA-N 0 0 323.776 3.204 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1(C)CC=CC1 ZINC000822831628 628499815 /nfs/dbraw/zinc/49/98/15/628499815.db2.gz GCARXQSEQOZZJC-OAHLLOKOSA-N 0 0 300.446 3.465 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)[C@H]3CCC3(C)C)CC2)cc1 ZINC000822919857 628509748 /nfs/dbraw/zinc/50/97/48/628509748.db2.gz PBHLFEMIXDABSQ-QGZVFWFLSA-N 0 0 316.445 3.170 20 10 DGCDRN COc1cccc2c1N(C(=O)/C=C/c1cccnc1C)CCC2 ZINC000822984977 628516253 /nfs/dbraw/zinc/51/62/53/628516253.db2.gz QXWOHQRWOGENDS-ZHACJKMWSA-N 0 0 308.381 3.391 20 10 DGCDRN C[C@H](NC(=O)N(C)Cc1ccccc1O)C1CCC(F)CC1 ZINC000823068194 628522727 /nfs/dbraw/zinc/52/27/27/628522727.db2.gz QLNSEHPXSHMFDV-OPFPJEHXSA-N 0 0 308.397 3.450 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000823362276 628552607 /nfs/dbraw/zinc/55/26/07/628552607.db2.gz UBQJOVAATINFEF-BETUJISGSA-N 0 0 300.362 3.111 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@@H](C)[C@@H]1C ZINC000840480984 628578328 /nfs/dbraw/zinc/57/83/28/628578328.db2.gz AMAGTATUISQUJT-ILXRZTDVSA-N 0 0 303.450 3.042 20 10 DGCDRN CO[C@H](CNC(=O)N(C)Cc1ccccc1O)C1CCCCC1 ZINC000823678378 628586319 /nfs/dbraw/zinc/58/63/19/628586319.db2.gz IKRGBBGRKSHTKF-QGZVFWFLSA-N 0 0 320.433 3.129 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CC23CC3)cc1 ZINC000823857491 628603363 /nfs/dbraw/zinc/60/33/63/628603363.db2.gz CBCJYAPOZZJELN-MRXNPFEDSA-N 0 0 301.434 3.227 20 10 DGCDRN C[C@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CC[N@@H+](C2CC2)C1 ZINC000824445472 628661180 /nfs/dbraw/zinc/66/11/80/628661180.db2.gz AFZAXSFAKDIZQA-NSHDSACASA-N 0 0 312.816 3.101 20 10 DGCDRN Cc1cc(NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)no1 ZINC000840487693 628663290 /nfs/dbraw/zinc/66/32/90/628663290.db2.gz HOOKAPCNSFQSBW-LBPRGKRZSA-N 0 0 316.405 3.110 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H]2CSc3ccccc32)c1 ZINC000824484040 628664407 /nfs/dbraw/zinc/66/44/07/628664407.db2.gz YSPBXUOQZAVKJH-GFCCVEGCSA-N 0 0 316.382 3.280 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)[C@@H](C)C1CC1 ZINC000840488102 628666270 /nfs/dbraw/zinc/66/62/70/628666270.db2.gz JIOFOASOPVYSFG-CABCVRRESA-N 0 0 317.477 3.432 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1nccs1 ZINC000840488789 628676685 /nfs/dbraw/zinc/67/66/85/628676685.db2.gz ORYACSSZKNHCMZ-GFCCVEGCSA-N 0 0 318.446 3.270 20 10 DGCDRN CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000824636052 628679502 /nfs/dbraw/zinc/67/95/02/628679502.db2.gz LHGIMQRHMYQDEZ-ZANVPECISA-N 0 0 304.217 3.292 20 10 DGCDRN COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000824702873 628685242 /nfs/dbraw/zinc/68/52/42/628685242.db2.gz SHNXHOZTSCXZMY-PWSUYJOCSA-N 0 0 318.200 3.130 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)C[C@@H]3CC=CCC3)C2)cc1 ZINC000824729529 628687791 /nfs/dbraw/zinc/68/77/91/628687791.db2.gz WUBWWIHZBBYFJI-HZPDHXFCSA-N 0 0 314.429 3.137 20 10 DGCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCCF)cc1 ZINC000824778226 628692747 /nfs/dbraw/zinc/69/27/47/628692747.db2.gz QMSFIYPAAZBPIY-KRWDZBQOSA-N 0 0 322.424 3.010 20 10 DGCDRN CCOc1ccc(N(CC)C(=O)/C=C(\C)c2cnccn2)cc1 ZINC000824815775 628697417 /nfs/dbraw/zinc/69/74/17/628697417.db2.gz ZDCMERZFXHETBV-WYMLVPIESA-N 0 0 311.385 3.332 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CCC[C@H]1C1CC1 ZINC000840491141 628703117 /nfs/dbraw/zinc/70/31/17/628703117.db2.gz NWOCFMIQWKMGON-PWIQMMQFSA-N 0 0 301.386 3.054 20 10 DGCDRN COc1c([O-])c(C[NH2+]C23CCC(CC2)CC3)ccc1[N+](=O)[O-] ZINC000824935159 628708841 /nfs/dbraw/zinc/70/88/41/628708841.db2.gz ALHYGEVYVKAVEF-UHFFFAOYSA-N 0 0 306.362 3.121 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000824955787 628710779 /nfs/dbraw/zinc/71/07/79/628710779.db2.gz ZFQMYHTZHNFHJH-GOEBONIOSA-N 0 0 318.804 3.451 20 10 DGCDRN C[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2[O-])c2nccn21 ZINC000825017677 628716649 /nfs/dbraw/zinc/71/66/49/628716649.db2.gz XDBWVJZTRWCUSP-CABZTGNLSA-N 0 0 322.206 3.147 20 10 DGCDRN CCS(=O)(=O)Cc1ccc(NCc2cccc(C)c2O)cc1 ZINC000825316786 628748704 /nfs/dbraw/zinc/74/87/04/628748704.db2.gz UBYWMCRXKYGUSE-UHFFFAOYSA-N 0 0 319.426 3.247 20 10 DGCDRN C[C@@H]1CCN(Cc2ccc(Br)cc2O)C[C@H]1F ZINC000825440809 628761852 /nfs/dbraw/zinc/76/18/52/628761852.db2.gz LDOORQMCGDKLGI-BXKDBHETSA-N 0 0 302.187 3.335 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)C[C@@]1(C)CC1(Cl)Cl ZINC000825481579 628765778 /nfs/dbraw/zinc/76/57/78/628765778.db2.gz NWWJFHVCPAOIKR-ZDUSSCGKSA-N 0 0 302.201 3.325 20 10 DGCDRN CC(C)(C)OC(=O)c1ccc(NCc2ccccc2O)nc1 ZINC000825668695 628783858 /nfs/dbraw/zinc/78/38/58/628783858.db2.gz VWQHSFZTVGVZKS-UHFFFAOYSA-N 0 0 300.358 3.355 20 10 DGCDRN COc1cccc(CNC(=O)/C(F)=C/C2CCCCC2)c1O ZINC000825703341 628787475 /nfs/dbraw/zinc/78/74/75/628787475.db2.gz QSILJOHKPBTJRO-UVTDQMKNSA-N 0 0 307.365 3.451 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CC12CCSCC2 ZINC000825873217 628805772 /nfs/dbraw/zinc/80/57/72/628805772.db2.gz IAEWWBGKFNGBJB-MRXNPFEDSA-N 0 0 318.486 3.211 20 10 DGCDRN O=C(CSC1CC1)N(Cc1ccco1)Cc1ccccc1O ZINC000825905846 628808921 /nfs/dbraw/zinc/80/89/21/628808921.db2.gz RRUMXRHPKDWCAD-UHFFFAOYSA-N 0 0 317.410 3.410 20 10 DGCDRN CO[C@H](C[NH2+]Cc1ccc(Br)cc1O)CC(C)C ZINC000826131374 628829888 /nfs/dbraw/zinc/82/98/88/628829888.db2.gz RZQZRBYICLOITF-ZDUSSCGKSA-N 0 0 316.239 3.305 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1CCS[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000826532604 628856646 /nfs/dbraw/zinc/85/66/46/628856646.db2.gz WJIMSYFMCWUCHN-ZOWXZIJZSA-N 0 0 307.463 3.007 20 10 DGCDRN CC[C@@H]([NH2+]C1CCC(NC(=O)[O-])CC1)c1ccc(N(C)C)cc1 ZINC000826618446 628865028 /nfs/dbraw/zinc/86/50/28/628865028.db2.gz DXKHMAVRVDJRNA-VMBOVVBDSA-N 0 0 319.449 3.372 20 10 DGCDRN Cc1ccc(NC(=O)C2=CC(=O)CS2)cc1C(=O)NC(C)C ZINC000826921637 628904134 /nfs/dbraw/zinc/90/41/34/628904134.db2.gz RTRKBGMIEXYKNK-UHFFFAOYSA-N 0 0 318.398 3.153 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H](OC)C2CCC2)cc1F ZINC000826943733 628905895 /nfs/dbraw/zinc/90/58/95/628905895.db2.gz ZNYDKBRIJDGKTJ-QGZVFWFLSA-N 0 0 322.424 3.103 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000827179449 628932891 /nfs/dbraw/zinc/93/28/91/628932891.db2.gz YBDBPZDNHSJUPS-HUUCEWRRSA-N 0 0 307.752 3.453 20 10 DGCDRN Cc1cc(CC(=O)N(C)Cc2cc[nH]n2)c(C)n1-c1ccccc1 ZINC000827370861 628953172 /nfs/dbraw/zinc/95/31/72/628953172.db2.gz LMKLPKSTBKMSGG-UHFFFAOYSA-N 0 0 322.412 3.018 20 10 DGCDRN COc1ccc(N(C)C[C@@H](O)[C@@H](C)c2ccccc2)cc1OC ZINC000827491297 628963357 /nfs/dbraw/zinc/96/33/57/628963357.db2.gz JUWBVJIBAFNVKL-WMLDXEAASA-N 0 0 315.413 3.305 20 10 DGCDRN CCO[C@@H](C)c1ncc(C(=O)N[C@H](C)c2ccccc2O)s1 ZINC000827937154 629005344 /nfs/dbraw/zinc/00/53/44/629005344.db2.gz MCGVLCZXNNOVOZ-MNOVXSKESA-N 0 0 320.414 3.437 20 10 DGCDRN C[C@@H](NC(=O)[C@@](C)(O)[C@@H](C)c1ccccc1)c1ccccc1O ZINC000827937219 629005557 /nfs/dbraw/zinc/00/55/57/629005557.db2.gz OYRSUZGSENLSFC-KSMMKXTCSA-N 0 0 313.397 3.124 20 10 DGCDRN CC(C)Oc1cccnc1C(=O)N[C@H](C)c1ccccc1O ZINC000827937375 629005573 /nfs/dbraw/zinc/00/55/73/629005573.db2.gz UGEPGUNFRBARBD-GFCCVEGCSA-N 0 0 300.358 3.065 20 10 DGCDRN CCCCn1cc(C(=O)N[C@H](C)c2ccccc2O)c(C)n1 ZINC000827941497 629005858 /nfs/dbraw/zinc/00/58/58/629005858.db2.gz SONHTFGVWXGOGH-GFCCVEGCSA-N 0 0 301.390 3.188 20 10 DGCDRN C[C@@H](NC(=O)[C@@H]1CCC(=O)[C@@H](C)C1(C)C)c1ccccc1O ZINC000827940477 629005885 /nfs/dbraw/zinc/00/58/85/629005885.db2.gz DPGVMFGVVPHELE-BZPMIXESSA-N 0 0 303.402 3.211 20 10 DGCDRN C[C@@H](NC(=O)[C@@H]1CCN(C)c2ccccc21)c1ccccc1O ZINC000827940365 629005974 /nfs/dbraw/zinc/00/59/74/629005974.db2.gz CCGKXASMMMMYDO-CZUORRHYSA-N 0 0 310.397 3.193 20 10 DGCDRN C[C@@H](NC(=O)c1csc([C@H]2CCCO2)n1)c1ccccc1O ZINC000827940354 629005975 /nfs/dbraw/zinc/00/59/75/629005975.db2.gz BSCFJCIGFQEXAD-QMTHXVAHSA-N 0 0 318.398 3.191 20 10 DGCDRN Cc1nc2ccccc2n1CCC(=O)N[C@H](C)c1ccccc1O ZINC000827940400 629005991 /nfs/dbraw/zinc/00/59/91/629005991.db2.gz DGEHLBKZGLFIMJ-CYBMUJFWSA-N 0 0 323.396 3.318 20 10 DGCDRN Cc1ccc([C@@H](C)[C@@H](O)C(=O)N[C@H](C)c2ccccc2O)cc1 ZINC000827941318 629006177 /nfs/dbraw/zinc/00/61/77/629006177.db2.gz QFNBNZCUQTWZIP-HBUWYVDXSA-N 0 0 313.397 3.042 20 10 DGCDRN CC[C@@](O)(CC(=O)N[C@H](C)c1ccccc1O)c1ccccc1 ZINC000827952418 629006920 /nfs/dbraw/zinc/00/69/20/629006920.db2.gz RNGFOCCZDKADDF-AUUYWEPGSA-N 0 0 313.397 3.257 20 10 DGCDRN CC(C)[C@@H](C(=O)N[C@H](C)c1ccccc1O)C(=O)OC(C)(C)C ZINC000827952387 629006969 /nfs/dbraw/zinc/00/69/69/629006969.db2.gz QTEWSYGSSUCRMQ-DOMZBBRYSA-N 0 0 321.417 3.183 20 10 DGCDRN C[C@@H](NC(=O)[C@H](C)OCCc1ccccc1)c1ccccc1O ZINC000827952009 629007296 /nfs/dbraw/zinc/00/72/96/629007296.db2.gz CNEBXEALUKMAPD-CABCVRRESA-N 0 0 313.397 3.217 20 10 DGCDRN COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H](C)c1ccccc1O ZINC000827952201 629007327 /nfs/dbraw/zinc/00/73/27/629007327.db2.gz JJYOKZGUFSYQJI-UHOFOFEASA-N 0 0 311.381 3.382 20 10 DGCDRN COCc1csc(C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000827955170 629007625 /nfs/dbraw/zinc/00/76/25/629007625.db2.gz AFJNLMMCUSRWBR-UHFFFAOYSA-N 0 0 318.442 3.199 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)Cc1ccco1 ZINC000827956096 629007643 /nfs/dbraw/zinc/00/76/43/629007643.db2.gz NZMQNENWFRFMJH-AWEZNQCLSA-N 0 0 300.402 3.149 20 10 DGCDRN C[C@H](NC(=O)CCC[C@@H](O)c1ccccc1)c1ccccc1O ZINC000827960046 629008411 /nfs/dbraw/zinc/00/84/11/629008411.db2.gz HYGLDDJMBZBXPX-WMLDXEAASA-N 0 0 313.397 3.473 20 10 DGCDRN CCOc1ccc(O)c(CN2C[C@H](C)O[C@@](C)(C(F)F)C2)c1 ZINC000827962815 629008863 /nfs/dbraw/zinc/00/88/63/629008863.db2.gz UECNFNVPISEDAO-MEDUHNTESA-N 0 0 315.360 3.035 20 10 DGCDRN COC(=O)CC1(CC(=O)N[C@@H](C)c2ccccc2O)CCCC1 ZINC000827969382 629009315 /nfs/dbraw/zinc/00/93/15/629009315.db2.gz KYXPLYDRSIANGF-ZDUSSCGKSA-N 0 0 319.401 3.083 20 10 DGCDRN CO[C@](C)(C(=O)N[C@@H](C)c1ccccc1O)c1ccccc1F ZINC000827968881 629009517 /nfs/dbraw/zinc/00/95/17/629009517.db2.gz BTUKOLSBFNRNEJ-SGTLLEGYSA-N 0 0 317.360 3.270 20 10 DGCDRN COc1ccc2c(c1)[C@H](C(=O)N[C@@H](C)c1ccccc1O)CC2 ZINC000827969852 629009802 /nfs/dbraw/zinc/00/98/02/629009802.db2.gz SKFAGRIOHVCNTC-BLLLJJGKSA-N 0 0 311.381 3.308 20 10 DGCDRN CC(C)[C@@H]1C[C@H](CC(=O)N[C@@H](C)c2ccccc2O)CCO1 ZINC000827970140 629009818 /nfs/dbraw/zinc/00/98/18/629009818.db2.gz XNUSRGLPZITQHY-VBQJREDUSA-N 0 0 305.418 3.411 20 10 DGCDRN C[C@H](NC(=O)[C@@H]1C[C@]12CCc1ccccc12)c1ccccc1O ZINC000827973038 629009911 /nfs/dbraw/zinc/00/99/11/629009911.db2.gz GVJBVTJWEPYDJL-ROOHIHILSA-N 0 0 307.393 3.474 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)c2ccccc2O)nn1[C@@H](C)C1CC1 ZINC000827970201 629009936 /nfs/dbraw/zinc/00/99/36/629009936.db2.gz ZKZWTIKCYXSIOD-STQMWFEESA-N 0 0 313.401 3.359 20 10 DGCDRN Cc1cc2c(cc1C)O[C@H](C(=O)N[C@@H](C)c1ccccc1O)C2 ZINC000827973831 629010219 /nfs/dbraw/zinc/01/02/19/629010219.db2.gz ZKGMZCQWAOOJMW-UGSOOPFHSA-N 0 0 311.381 3.190 20 10 DGCDRN C[C@H](C(=O)N[C@@H](C)c1ccccc1O)N1CCc2ccccc2C1 ZINC000827978375 629010593 /nfs/dbraw/zinc/01/05/93/629010593.db2.gz RBSNOXPBGJAAMH-LSDHHAIUSA-N 0 0 324.424 3.016 20 10 DGCDRN C[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1O ZINC000827982293 629011106 /nfs/dbraw/zinc/01/11/06/629011106.db2.gz RNBNKIAAEGDQML-ZDUSSCGKSA-N 0 0 324.380 3.010 20 10 DGCDRN COc1ccc2c(c1)CCCCN2C(=O)/C=C(/C)c1cnccn1 ZINC000828118147 629024920 /nfs/dbraw/zinc/02/49/20/629024920.db2.gz ZIYKTXXFAITREK-KAMYIIQDSA-N 0 0 323.396 3.258 20 10 DGCDRN CCCONC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000828262871 629039391 /nfs/dbraw/zinc/03/93/91/629039391.db2.gz CFSZRLMFXQWWJV-UHFFFAOYSA-N 0 0 304.346 3.039 20 10 DGCDRN Cc1ccc([C@H]2CCN(C(=O)c3c(F)ccc(O)c3O)C2)cc1 ZINC000828316807 629044376 /nfs/dbraw/zinc/04/43/76/629044376.db2.gz NSLAJWIWSCLQSS-ZDUSSCGKSA-N 0 0 315.344 3.175 20 10 DGCDRN O=C(C1=CC(=O)CS1)N(CCN1CCCC1)c1ccccc1 ZINC000828454232 629056103 /nfs/dbraw/zinc/05/61/03/629056103.db2.gz RCEIRHNKZDCJQL-UHFFFAOYSA-N 0 0 316.426 3.196 20 10 DGCDRN C[C@H](NC(=O)Cc1cccc(C(F)(F)F)n1)c1ccccc1O ZINC000828539347 629064394 /nfs/dbraw/zinc/06/43/94/629064394.db2.gz NBHOBKCUJHOUHP-JTQLQIEISA-N 0 0 324.302 3.226 20 10 DGCDRN Cc1ncc([N+](=O)[O-])n1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000829099870 629129818 /nfs/dbraw/zinc/12/98/18/629129818.db2.gz ARTNEQRQRDNDSK-UHFFFAOYSA-N 0 0 314.389 3.447 20 10 DGCDRN COCCSCC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000829243488 629144236 /nfs/dbraw/zinc/14/42/36/629144236.db2.gz FAVLYFGKIHVOIX-UHFFFAOYSA-N 0 0 322.405 3.191 20 10 DGCDRN CCOc1ccc(CSc2ncc(C(=O)OC)s2)nc1 ZINC000829681483 629181840 /nfs/dbraw/zinc/18/18/40/629181840.db2.gz XNAQQIXLNXLXLR-UHFFFAOYSA-N 0 0 310.400 3.016 20 10 DGCDRN CCc1ccc(C(=O)CSc2ncc(C(=O)OC)s2)cc1 ZINC000829681044 629181846 /nfs/dbraw/zinc/18/18/46/629181846.db2.gz MJDDELYVGHVLHB-UHFFFAOYSA-N 0 0 321.423 3.467 20 10 DGCDRN Cc1ccc([C@@H]2C[C@H]2C(=O)NCc2ccc(O)c(O)c2)cc1C ZINC000830559952 629283871 /nfs/dbraw/zinc/28/38/71/629283871.db2.gz XTIYWTKIBUHVIT-JKSUJKDBSA-N 0 0 311.381 3.135 20 10 DGCDRN COc1ccc(CNC(=O)c2ccc(C)c3c2CCC3)c(O)c1 ZINC000831033446 629332477 /nfs/dbraw/zinc/33/24/77/629332477.db2.gz VARJUTDJIKTELO-UHFFFAOYSA-N 0 0 311.381 3.128 20 10 DGCDRN COc1ccc(N(Cc2ncnn2CC(C)C)CC2CC2)cc1 ZINC000831587751 629393450 /nfs/dbraw/zinc/39/34/50/629393450.db2.gz KETDFQLGACVPCE-UHFFFAOYSA-N 0 0 314.433 3.359 20 10 DGCDRN Nc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)CCCC3)cc1 ZINC000831748666 629408294 /nfs/dbraw/zinc/40/82/94/629408294.db2.gz JCVWCWGDWBLWAC-UHFFFAOYSA-N 0 0 308.381 3.359 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCC2(CC2)C1 ZINC000831923946 629428444 /nfs/dbraw/zinc/42/84/44/629428444.db2.gz AFJTVJLMVXEZLS-JSGCOSHPSA-N 0 0 303.402 3.115 20 10 DGCDRN CCCOc1ccc(CNC(=O)Cc2ccc(N)cc2)c(C)c1 ZINC000832136009 629444752 /nfs/dbraw/zinc/44/47/52/629444752.db2.gz VHDYTKQCMKKXBS-UHFFFAOYSA-N 0 0 312.413 3.225 20 10 DGCDRN CO[C@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CCCC1 ZINC000832437312 629480394 /nfs/dbraw/zinc/48/03/94/629480394.db2.gz ZDAGJDHXZYAIKJ-GUYCJALGSA-N 0 0 304.434 3.135 20 10 DGCDRN Cc1cc(CC(=O)N2CCC(=O)[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC000832462080 629483829 /nfs/dbraw/zinc/48/38/29/629483829.db2.gz YDDOYRNYSXYVSR-AWEZNQCLSA-N 0 0 324.424 3.074 20 10 DGCDRN O=C(CNC(=O)C1=CC(=O)CS1)c1cc2c(s1)CCCC2 ZINC000832566444 629497326 /nfs/dbraw/zinc/49/73/26/629497326.db2.gz RIGVCPMETKMJIR-UHFFFAOYSA-N 0 0 321.423 3.007 20 10 DGCDRN CO[C@H](C)[C@H](C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000832803226 629517172 /nfs/dbraw/zinc/51/71/72/629517172.db2.gz YPNHYFKOGMTDBD-GOEBONIOSA-N 0 0 314.429 3.176 20 10 DGCDRN Cc1cc(C[N@@H+]2CC[C@](C)(C(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC000832883640 629528088 /nfs/dbraw/zinc/52/80/88/629528088.db2.gz XLXSUSCXRHFASE-SFHVURJKSA-N 0 0 305.418 3.295 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]Cc2ccoc2C(=O)[O-])cc1 ZINC000833654133 629636032 /nfs/dbraw/zinc/63/60/32/629636032.db2.gz CHSXDTYJTFTKIL-UHFFFAOYSA-N 0 0 302.374 3.114 20 10 DGCDRN COc1ccc(O)c([C@H](C)[NH2+][C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000833734028 629644036 /nfs/dbraw/zinc/64/40/36/629644036.db2.gz ZTVKOONQUVNROE-MGPLVRAMSA-N 0 0 319.332 3.016 20 10 DGCDRN COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000833733994 629644190 /nfs/dbraw/zinc/64/41/90/629644190.db2.gz YGWHOACSIKRCSY-SNVBAGLBSA-N 0 0 319.332 3.089 20 10 DGCDRN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000833835310 629653988 /nfs/dbraw/zinc/65/39/88/629653988.db2.gz XLCQFLQABGDOGM-OLZOCXBDSA-N 0 0 314.385 3.023 20 10 DGCDRN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000833835312 629654073 /nfs/dbraw/zinc/65/40/73/629654073.db2.gz XLCQFLQABGDOGM-STQMWFEESA-N 0 0 314.385 3.023 20 10 DGCDRN COc1ccc(N(Cc2ccc(C(N)=O)cc2)C(C)C)cc1F ZINC000101567478 629741437 /nfs/dbraw/zinc/74/14/37/629741437.db2.gz CKPFYVXFIPIOTD-UHFFFAOYSA-N 0 0 316.376 3.348 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCc2c[nH]c3ccccc23)c1 ZINC000101588619 629743174 /nfs/dbraw/zinc/74/31/74/629743174.db2.gz CMHOQWSCJKCSAJ-UHFFFAOYSA-N 0 0 311.341 3.114 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C(=O)NC(C)(C)C ZINC000101595768 629743425 /nfs/dbraw/zinc/74/34/25/629743425.db2.gz VEUWOTDEEJBKSW-MRVPVSSYSA-N 0 0 319.232 3.092 20 10 DGCDRN CC(C)[C@H](N[C@H]1CCc2cccc(O)c21)C(=O)OC(C)(C)C ZINC000834733537 629768990 /nfs/dbraw/zinc/76/89/90/629768990.db2.gz NBORWRAPCCCXNB-BBRMVZONSA-N 0 0 305.418 3.335 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCSC2(CCC2)C1 ZINC000834734149 629769276 /nfs/dbraw/zinc/76/92/76/629769276.db2.gz BXZQJFIRERTNMD-MASHWEEQSA-N 0 0 319.426 3.046 20 10 DGCDRN O=C1C[C@@H](c2cccc(N[C@@H]3CCc4cccc(O)c43)c2)CN1 ZINC000834755381 629773902 /nfs/dbraw/zinc/77/39/02/629773902.db2.gz FVTXGVFFDDIFDA-GDBMZVCRSA-N 0 0 308.381 3.095 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCC2CCOCC2)c1 ZINC000834818516 629783770 /nfs/dbraw/zinc/78/37/70/629783770.db2.gz MYSWTACMYDXSMW-CYBMUJFWSA-N 0 0 321.417 3.036 20 10 DGCDRN C[C@@H](CCO)CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000834829946 629786098 /nfs/dbraw/zinc/78/60/98/629786098.db2.gz AGIJUFUEFBIGSR-GHMZBOCLSA-N 0 0 305.340 3.470 20 10 DGCDRN COC[C@@](C)(O)CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000834843377 629789096 /nfs/dbraw/zinc/78/90/96/629789096.db2.gz IILOUFWJHGKXQX-XPTSAGLGSA-N 0 0 322.232 3.137 20 10 DGCDRN CO[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])Cc1ccccc1 ZINC000834856024 629791575 /nfs/dbraw/zinc/79/15/75/629791575.db2.gz KFIHBPJMJXCOAT-XJKSGUPXSA-N 0 0 303.377 3.440 20 10 DGCDRN C[C@@H]([NH2+]CC1=CCOCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000834861298 629792824 /nfs/dbraw/zinc/79/28/24/629792824.db2.gz YZSQLEVAJNKTDH-SNVBAGLBSA-N 0 0 301.308 3.408 20 10 DGCDRN C[C@H](CCCO)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000834870808 629794115 /nfs/dbraw/zinc/79/41/15/629794115.db2.gz KNWHJIDBWLSEEQ-MNOVXSKESA-N 0 0 305.340 3.470 20 10 DGCDRN CN(C)c1ccc(/C=C/CN(C)Cc2nccn2C(F)F)cc1 ZINC000835025312 629827320 /nfs/dbraw/zinc/82/73/20/629827320.db2.gz HTCUVASNFQEULR-SNAWJCMRSA-N 0 0 320.387 3.489 20 10 DGCDRN CN(C)c1ccc(/C=C\CNc2ccc(OCCO)cc2)cc1 ZINC000835031841 629829878 /nfs/dbraw/zinc/82/98/78/629829878.db2.gz NOUANEZSHXIMQB-ARJAWSKDSA-N 0 0 312.413 3.249 20 10 DGCDRN Cc1ccc(C[C@H](CO)[NH2+]Cc2cccc(Cl)c2[O-])cc1C ZINC000835072183 629844060 /nfs/dbraw/zinc/84/40/60/629844060.db2.gz CGLPNTUOXIPPRI-MRXNPFEDSA-N 0 0 319.832 3.356 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)NC[C@@H]1C[C@H]1C1CC1 ZINC000836662130 630147267 /nfs/dbraw/zinc/14/72/67/630147267.db2.gz SIZHUHYGNBZOLS-HOCLYGCPSA-N 0 0 314.429 3.116 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C2CC2)C2CCC2)c1 ZINC000836687677 630151022 /nfs/dbraw/zinc/15/10/22/630151022.db2.gz WLGNASRKAMTLHZ-GTNSWQLSSA-N 0 0 318.417 3.340 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1=CCC(C)(C)CC1 ZINC000836781671 630161773 /nfs/dbraw/zinc/16/17/73/630161773.db2.gz OETOXGAKVHARKR-LBPRGKRZSA-N 0 0 303.402 3.282 20 10 DGCDRN CC[C@@H](CC(F)F)C(=O)NCCCSc1nccs1 ZINC000837414486 630255312 /nfs/dbraw/zinc/25/53/12/630255312.db2.gz QBSUPWGMRHZBJI-VIFPVBQESA-N 0 0 308.419 3.423 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)CC(F)(F)F)c1 ZINC000837486351 630265732 /nfs/dbraw/zinc/26/57/32/630265732.db2.gz XHFFDQGWDAQOJT-DTWKUNHWSA-N 0 0 305.296 3.167 20 10 DGCDRN Cc1ccc(O)c([C@H](C)NCc2nccc(C(F)(F)F)n2)c1 ZINC000840869739 630369705 /nfs/dbraw/zinc/36/97/05/630369705.db2.gz PSJPJGFJGXNTCL-JTQLQIEISA-N 0 0 311.307 3.360 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ccc(N2CCCC2=O)cn1 ZINC000840879659 630371145 /nfs/dbraw/zinc/37/11/45/630371145.db2.gz SDZRVPPINGQIHV-UHFFFAOYSA-N 0 0 324.428 3.195 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ccc(C(=O)N(C)C)cc1 ZINC000840884617 630372389 /nfs/dbraw/zinc/37/23/89/630372389.db2.gz OYFUAROMPDEXSD-UHFFFAOYSA-N 0 0 311.429 3.375 20 10 DGCDRN CN(C)c1ccc(C[N@H+](C)Cn2nccc2-c2ccncc2)cc1 ZINC000104052481 630376635 /nfs/dbraw/zinc/37/66/35/630376635.db2.gz BAKXZCXYXQDESB-UHFFFAOYSA-N 0 0 321.428 3.101 20 10 DGCDRN COCCN(Cc1c(O)cc(C)cc1Cl)CC(F)(F)F ZINC000840912336 630376681 /nfs/dbraw/zinc/37/66/81/630376681.db2.gz MSLMZXGRHPQLSW-UHFFFAOYSA-N 0 0 311.731 3.365 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCCCC1 ZINC000840931654 630379889 /nfs/dbraw/zinc/37/98/89/630379889.db2.gz YJQZABCJZYQWEG-HNNXBMFYSA-N 0 0 303.450 3.188 20 10 DGCDRN Cc1nccn1CCC[N@@H+](C)Cc1c(O)cc(C)cc1Cl ZINC000840948882 630382811 /nfs/dbraw/zinc/38/28/11/630382811.db2.gz MGKUGYHARAFXHG-UHFFFAOYSA-N 0 0 307.825 3.381 20 10 DGCDRN C[NH+](C)Cc1ccc(NCc2cc([N+](=O)[O-])ccc2[O-])c(F)c1 ZINC000840957907 630384770 /nfs/dbraw/zinc/38/47/70/630384770.db2.gz LXKMSYHWEMKEAZ-UHFFFAOYSA-N 0 0 319.336 3.113 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000840964259 630387542 /nfs/dbraw/zinc/38/75/42/630387542.db2.gz VOGOVTHXRGRKBI-CYBMUJFWSA-N 0 0 309.768 3.050 20 10 DGCDRN C[C@@H]([NH2+]Cc1cccc(Br)c1[O-])[C@H]1CC1(F)F ZINC000840967878 630388369 /nfs/dbraw/zinc/38/83/69/630388369.db2.gz KNGVXQUYWXSXBA-VXNVDRBHSA-N 0 0 306.150 3.288 20 10 DGCDRN C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000840978973 630390299 /nfs/dbraw/zinc/39/02/99/630390299.db2.gz QRIZFIGPTGFYMB-VHSXEESVSA-N 0 0 304.217 3.292 20 10 DGCDRN CN(C)c1ccc(/C=C\C[NH2+][C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000840995944 630392604 /nfs/dbraw/zinc/39/26/04/630392604.db2.gz XCMWEVWULYJASG-QBUQCISBSA-N 0 0 324.424 3.051 20 10 DGCDRN Cc1cc(O)c(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1C ZINC000840997404 630392713 /nfs/dbraw/zinc/39/27/13/630392713.db2.gz DKTZJOSPWQZKSA-BMFZPTHFSA-N 0 0 303.402 3.227 20 10 DGCDRN O=C([O-])CC[C@H](Cc1ccccc1)[NH2+]Cc1cc(F)ccc1O ZINC000840998763 630393252 /nfs/dbraw/zinc/39/32/52/630393252.db2.gz WHPLIORLNZQXRD-MRXNPFEDSA-N 0 0 317.360 3.097 20 10 DGCDRN CC(C)CC[C@H](NC(=O)C(=O)Nc1ccc(N)cc1)C(C)(C)C ZINC000841038983 630400524 /nfs/dbraw/zinc/40/05/24/630400524.db2.gz WILNAVVPXOLJAS-HNNXBMFYSA-N 0 0 319.449 3.174 20 10 DGCDRN [NH3+][C@@H]1CN(Cc2cccc(Cl)c2[O-])C[C@H]1c1ccccc1F ZINC000841104497 630408558 /nfs/dbraw/zinc/40/85/58/630408558.db2.gz SNATWWYEJIPXPQ-XJKSGUPXSA-N 0 0 320.795 3.111 20 10 DGCDRN Nc1ccc(CCNC(=O)Nc2ccc3c(c2)C(=O)CCC3)cc1 ZINC000841135150 630411042 /nfs/dbraw/zinc/41/10/42/630411042.db2.gz BCMDBJFEVHYFQY-UHFFFAOYSA-N 0 0 323.396 3.152 20 10 DGCDRN Nc1ccc(NC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000841296141 630424092 /nfs/dbraw/zinc/42/40/92/630424092.db2.gz PCYDKNVWQSAMJJ-IRXDYDNUSA-N 0 0 311.385 3.311 20 10 DGCDRN Nc1ccc(NC(=O)NC[C@H]2CCC3(CCCCC3)O2)cc1 ZINC000841297088 630424495 /nfs/dbraw/zinc/42/44/95/630424495.db2.gz NCLLNUSKRSJSCD-OAHLLOKOSA-N 0 0 303.406 3.272 20 10 DGCDRN COc1ccc(CCCN(C)C(=O)Nc2ccc(N)cc2)cc1 ZINC000841301208 630425454 /nfs/dbraw/zinc/42/54/54/630425454.db2.gz FVDBQZNUOSLQAE-UHFFFAOYSA-N 0 0 313.401 3.374 20 10 DGCDRN COc1ccc(F)c(/C=C2/SC(=S)N(C3CC3)C2=O)c1 ZINC000841494895 630442202 /nfs/dbraw/zinc/44/22/02/630442202.db2.gz DSCCJROTAHWIHU-KPKJPENVSA-N 0 0 309.387 3.198 20 10 DGCDRN CC(=O)N(C)c1ccc(NCc2ccc(N(C)C)cc2C)cn1 ZINC000841505322 630443331 /nfs/dbraw/zinc/44/33/31/630443331.db2.gz NIDKSAVYTOGHBO-UHFFFAOYSA-N 0 0 312.417 3.051 20 10 DGCDRN CC[C@H](CNC(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC000841645645 630451087 /nfs/dbraw/zinc/45/10/87/630451087.db2.gz DYHXYCHQFBCRIW-MRXNPFEDSA-N 0 0 311.429 3.304 20 10 DGCDRN Nc1ccc(CCNC(=O)N[C@@H](c2cccs2)C2CC2)cc1 ZINC000841673480 630453998 /nfs/dbraw/zinc/45/39/98/630453998.db2.gz RODXXILPHQGNJT-MRXNPFEDSA-N 0 0 315.442 3.323 20 10 DGCDRN Cc1ccc2c(c1)CC[C@H]2NC(=O)NCCc1ccc(N)cc1 ZINC000841734794 630460806 /nfs/dbraw/zinc/46/08/06/630460806.db2.gz NNJZFZMRRNSMDT-GOSISDBHSA-N 0 0 309.413 3.106 20 10 DGCDRN C[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccc(Cl)cc1[O-] ZINC000841746147 630461618 /nfs/dbraw/zinc/46/16/18/630461618.db2.gz CSXVNBVQGIAKGK-SNVBAGLBSA-N 0 0 318.795 3.426 20 10 DGCDRN Cc1ccc2c(c1)[C@H](NC(=O)NCCc1ccc(N)cc1)CC2 ZINC000841793807 630465079 /nfs/dbraw/zinc/46/50/79/630465079.db2.gz UHKPFGRDDGMSMW-GOSISDBHSA-N 0 0 309.413 3.106 20 10 DGCDRN CC[C@H](NC(=O)NCCc1ccc(N)cc1)c1nc(C)cs1 ZINC000841793200 630465315 /nfs/dbraw/zinc/46/53/15/630465315.db2.gz GUQXGBLYOGDHEU-AWEZNQCLSA-N 0 0 318.446 3.027 20 10 DGCDRN COc1ccc(C[NH2+][C@H](CC(=O)[O-])Cc2ccccc2)cc1C ZINC000841800194 630466120 /nfs/dbraw/zinc/46/61/20/630466120.db2.gz IVMAHHQZXJYDCH-KRWDZBQOSA-N 0 0 313.397 3.179 20 10 DGCDRN O=C([O-])C1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCC1 ZINC000841812710 630467155 /nfs/dbraw/zinc/46/71/55/630467155.db2.gz YRLUOVUEMIDOCO-UHFFFAOYSA-N 0 0 302.418 3.021 20 10 DGCDRN CC[C@H](CCC(=O)[O-])[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000841812549 630467217 /nfs/dbraw/zinc/46/72/17/630467217.db2.gz XVNDEHURTWNMKS-MRXNPFEDSA-N 0 0 304.434 3.410 20 10 DGCDRN CN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000841813041 630467610 /nfs/dbraw/zinc/46/76/10/630467610.db2.gz SLVUYVPNWNZEIH-NVXWUHKLSA-N 0 0 304.434 3.266 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]C[C@H]2CCC[C@H]2C(=O)[O-])cc1F ZINC000841820923 630468578 /nfs/dbraw/zinc/46/85/78/630468578.db2.gz XGSFOFCZVKWULC-HUUCEWRRSA-N 0 0 322.424 3.262 20 10 DGCDRN Cc1ccc([C@H](C)CNC(=O)NCCc2ccc(N)cc2)cc1 ZINC000841830217 630469983 /nfs/dbraw/zinc/46/99/83/630469983.db2.gz FIWKCBLUZZWXGD-OAHLLOKOSA-N 0 0 311.429 3.223 20 10 DGCDRN CCn1cncc1CN1CCCc2cc(OC(F)F)ccc21 ZINC000841873767 630472450 /nfs/dbraw/zinc/47/24/50/630472450.db2.gz HUAYPOBUZSTLFT-UHFFFAOYSA-N 0 0 307.344 3.457 20 10 DGCDRN CCn1cncc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841887528 630472986 /nfs/dbraw/zinc/47/29/86/630472986.db2.gz MXOVGIJWRMVNBQ-UHFFFAOYSA-N 0 0 300.189 3.205 20 10 DGCDRN CCC[C@@H](NC(=O)NCCc1ccc(N)cc1)C1CCCC1 ZINC000841914901 630475188 /nfs/dbraw/zinc/47/51/88/630475188.db2.gz AITJPMWMURKQMN-QGZVFWFLSA-N 0 0 303.450 3.469 20 10 DGCDRN CSCC1CCC(NC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841908026 630475405 /nfs/dbraw/zinc/47/54/05/630475405.db2.gz IKZAHHCBEWGSNT-UHFFFAOYSA-N 0 0 321.490 3.032 20 10 DGCDRN CC[C@H](C)[C@H]1CCCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841953947 630476375 /nfs/dbraw/zinc/47/63/75/630476375.db2.gz GNLCUBVGAVXSMD-WMLDXEAASA-N 0 0 303.450 3.422 20 10 DGCDRN CN(C(=O)NCCc1ccc(N)cc1)C1CCC(F)(F)CC1 ZINC000841956857 630476776 /nfs/dbraw/zinc/47/67/76/630476776.db2.gz KWAYZYKYNAKXNS-UHFFFAOYSA-N 0 0 311.376 3.031 20 10 DGCDRN C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)NCCc1ccc(N)cc1 ZINC000841957326 630476872 /nfs/dbraw/zinc/47/68/72/630476872.db2.gz HTLSPSKLVLYYOS-BEFAXECRSA-N 0 0 323.440 3.399 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CC[C@H](c3ccccc3)C2)cc1 ZINC000841957194 630476910 /nfs/dbraw/zinc/47/69/10/630476910.db2.gz PBPWVXXEINOBIA-KRWDZBQOSA-N 0 0 309.413 3.010 20 10 DGCDRN C[C@H]1c2ccccc2CCN1C(=O)NCCc1ccc(N)cc1 ZINC000841957299 630476924 /nfs/dbraw/zinc/47/69/24/630476924.db2.gz RJSXCXFSICNCQH-AWEZNQCLSA-N 0 0 309.413 3.140 20 10 DGCDRN CC(C)CN(C(=O)NCCc1ccc(N)cc1)C1CCCC1 ZINC000841956219 630476961 /nfs/dbraw/zinc/47/69/61/630476961.db2.gz YWBAAVXJMXERFZ-UHFFFAOYSA-N 0 0 303.450 3.422 20 10 DGCDRN Cc1cc(F)ccc1CN(C)C(=O)NCCc1ccc(N)cc1 ZINC000841957392 630476967 /nfs/dbraw/zinc/47/69/67/630476967.db2.gz AQNUWCWEXYQNBZ-UHFFFAOYSA-N 0 0 315.392 3.100 20 10 DGCDRN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCCc1ccc(N)cc1 ZINC000841961030 630477137 /nfs/dbraw/zinc/47/71/37/630477137.db2.gz ZIQHNYBROYIVEL-KMFMINBZSA-N 0 0 301.434 3.174 20 10 DGCDRN CN(C(=O)NCCc1ccc(N)cc1)C1CCC(C)(C)CC1 ZINC000841959087 630477148 /nfs/dbraw/zinc/47/71/48/630477148.db2.gz UHYOEKWIRLLYOR-UHFFFAOYSA-N 0 0 303.450 3.422 20 10 DGCDRN CCS[C@H]1CC[C@H](N(C)C(=O)NCCc2ccc(N)cc2)C1 ZINC000841960640 630477158 /nfs/dbraw/zinc/47/71/58/630477158.db2.gz URUUAIDQNIJYAM-HOTGVXAUSA-N 0 0 321.490 3.127 20 10 DGCDRN C[C@@H](c1cccs1)N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841962796 630477258 /nfs/dbraw/zinc/47/72/58/630477258.db2.gz STLWVHSMBDGAOP-LBPRGKRZSA-N 0 0 303.431 3.275 20 10 DGCDRN CCS[C@H]1CC[C@@H](N(C)C(=O)NCCc2ccc(N)cc2)C1 ZINC000841960636 630477341 /nfs/dbraw/zinc/47/73/41/630477341.db2.gz URUUAIDQNIJYAM-CVEARBPZSA-N 0 0 321.490 3.127 20 10 DGCDRN CCOc1cccc(CN[C@@H](CC)C(=O)OC(C)(C)C)c1O ZINC000842771201 630574329 /nfs/dbraw/zinc/57/43/29/630574329.db2.gz ICUALGVPGQDUGU-ZDUSSCGKSA-N 0 0 309.406 3.001 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)CC3(C)CC3)C2)cc1 ZINC000842876454 630587859 /nfs/dbraw/zinc/58/78/59/630587859.db2.gz SQVHIAUSCNHRPP-CQSZACIVSA-N 0 0 303.402 3.255 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)C3(CCF)CC3)C2)cc1 ZINC000842872974 630587883 /nfs/dbraw/zinc/58/78/83/630587883.db2.gz FGIIQLOKYQBISG-CQSZACIVSA-N 0 0 321.392 3.205 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)[C@H](C)CSC)C2)cc1 ZINC000842880107 630588459 /nfs/dbraw/zinc/58/84/59/630588459.db2.gz YJFORLVFZSBWGR-KGLIPLIRSA-N 0 0 323.458 3.064 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)C3=CCCC3)C2)cc1 ZINC000842879626 630588511 /nfs/dbraw/zinc/58/85/11/630588511.db2.gz RWVXZWFUVBCDTL-CQSZACIVSA-N 0 0 301.386 3.175 20 10 DGCDRN CC/C=C(\C)C(=O)OC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000842878605 630588591 /nfs/dbraw/zinc/58/85/91/630588591.db2.gz MZKVMJGVZFSJJI-ZXZGFYSFSA-N 0 0 303.402 3.421 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)CSC(C)C)C2)cc1 ZINC000842877566 630588645 /nfs/dbraw/zinc/58/86/45/630588645.db2.gz DZGSAMOIXYBQRC-CQSZACIVSA-N 0 0 323.458 3.206 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)C[C@H]3C=CCC3)C2)cc1 ZINC000842881764 630589124 /nfs/dbraw/zinc/58/91/24/630589124.db2.gz RKXNAIGUIVWIRG-HOTGVXAUSA-N 0 0 315.413 3.421 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1)c1ccc(F)cc1[O-] ZINC000842918693 630593533 /nfs/dbraw/zinc/59/35/33/630593533.db2.gz VLHVFTIXRJVFOU-CDHAZOANSA-N 0 0 316.376 3.497 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)c1cc(Br)cc(F)c1[O-] ZINC000842928903 630594291 /nfs/dbraw/zinc/59/42/91/630594291.db2.gz KYZDMPUVNATART-NQMVMOMDSA-N 0 0 318.186 3.122 20 10 DGCDRN COc1cccc(CNC(=O)Nc2ccc(C)c(C)c2)c1O ZINC000104969831 630600597 /nfs/dbraw/zinc/60/05/97/630600597.db2.gz OEZUJKXPHNDBAY-UHFFFAOYSA-N 0 0 300.358 3.339 20 10 DGCDRN CC[NH2+]CC1CC[NH+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000843055770 630609598 /nfs/dbraw/zinc/60/95/98/630609598.db2.gz PABASYOTTFZYHQ-UHFFFAOYSA-N 0 0 300.805 3.006 20 10 DGCDRN CC(C)[C@@H]1C[C@@H](Cc2nc(Cc3ccc(N)cc3)no2)CCO1 ZINC000843158653 630622774 /nfs/dbraw/zinc/62/27/74/630622774.db2.gz FRECRUFKIHLCDE-HOCLYGCPSA-N 0 0 315.417 3.236 20 10 DGCDRN CCN(C)[C@H](c1nc(Cc2ccc(N)cc2)no1)c1ccccc1 ZINC000843161472 630623949 /nfs/dbraw/zinc/62/39/49/630623949.db2.gz VEDPSLCTQSJDTQ-SFHVURJKSA-N 0 0 322.412 3.284 20 10 DGCDRN C[C@@H]1C[C@H]1c1noc(-c2csc(Cc3ccc(N)cc3)n2)n1 ZINC000843189732 630630864 /nfs/dbraw/zinc/63/08/64/630630864.db2.gz CBIAYQJNLOERKX-BXKDBHETSA-N 0 0 312.398 3.490 20 10 DGCDRN CCC[N@H+](Cc1c([O-])ccc(Cl)c1F)[C@H]1CCN(C)C1 ZINC000843423174 630656204 /nfs/dbraw/zinc/65/62/04/630656204.db2.gz YAMXKYSYBJORSR-NSHDSACASA-N 0 0 300.805 3.101 20 10 DGCDRN CCC[N@H+](Cc1cc(Cl)cc(F)c1[O-])[C@H]1CCN(C)C1 ZINC000843423114 630656487 /nfs/dbraw/zinc/65/64/87/630656487.db2.gz WPUKXMBQFBXYIK-ZDUSSCGKSA-N 0 0 300.805 3.101 20 10 DGCDRN Cc1cc(CCNC(=O)[C@H]2CCC(=O)C2)c(C)n1-c1ccccc1 ZINC000843758572 630698365 /nfs/dbraw/zinc/69/83/65/630698365.db2.gz UGRSLBBMVLVCQM-KRWDZBQOSA-N 0 0 324.424 3.122 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CC2(COC)CC2)cc1F ZINC000843794240 630700968 /nfs/dbraw/zinc/70/09/68/630700968.db2.gz FWIMUQMJQYHFQM-UHFFFAOYSA-N 0 0 322.424 3.105 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC000843852662 630702143 /nfs/dbraw/zinc/70/21/43/630702143.db2.gz ZHLGZQNNWUUNSF-KWCYVHTRSA-N 0 0 305.418 3.217 20 10 DGCDRN O=C(NCC[C@H]1CSc2ccccc2O1)C1=CC(=O)CS1 ZINC000844146038 630710582 /nfs/dbraw/zinc/71/05/82/630710582.db2.gz HSHFCRQYJGWGLE-NSHDSACASA-N 0 0 321.423 3.127 20 10 DGCDRN Cc1nnsc1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000844276477 630715380 /nfs/dbraw/zinc/71/53/80/630715380.db2.gz CXKICXSHQJHPHZ-UHFFFAOYSA-N 0 0 302.447 3.077 20 10 DGCDRN COc1ccc(N2CCN(C(=O)[C@H]3CC[C@H](C)CC3)CC2)cc1 ZINC000844279287 630715536 /nfs/dbraw/zinc/71/55/36/630715536.db2.gz FIFFQLZJBHQXHP-WKILWMFISA-N 0 0 316.445 3.170 20 10 DGCDRN C[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])N(C)C1CC1 ZINC000105488021 630718482 /nfs/dbraw/zinc/71/84/82/630718482.db2.gz KNJSSMAYQQYBKK-VIFPVBQESA-N 0 0 303.233 3.271 20 10 DGCDRN COc1ccc(N(C)CCN(C)Cc2nc(C)cs2)cc1 ZINC000844401746 630724804 /nfs/dbraw/zinc/72/48/04/630724804.db2.gz PNQOFYRMGRFKQN-UHFFFAOYSA-N 0 0 305.447 3.028 20 10 DGCDRN Cc1cc(NC(=O)NCc2cc(Cl)ccc2O)nn1C(C)C ZINC000844712515 630801079 /nfs/dbraw/zinc/80/10/79/630801079.db2.gz WTZWCQWHGCEFRU-UHFFFAOYSA-N 0 0 322.796 3.453 20 10 DGCDRN CC[C@@H](C(=O)OC(C)(C)C)N(C)Cc1cc(C)cc(OC)c1O ZINC000844759732 630845434 /nfs/dbraw/zinc/84/54/34/630845434.db2.gz RLWICUOKTYTZJT-AWEZNQCLSA-N 0 0 323.433 3.261 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)C2CC(C)(C)C2)cc1 ZINC000844857229 630947471 /nfs/dbraw/zinc/94/74/71/630947471.db2.gz YMKMUDJPJNBMOD-UHFFFAOYSA-N 0 0 304.434 3.026 20 10 DGCDRN C[C@@H](Cc1ccco1)NC(=O)NCc1cc(Cl)ccc1O ZINC000844882906 630963528 /nfs/dbraw/zinc/96/35/28/630963528.db2.gz UOAPHVWTTMTBJJ-JTQLQIEISA-N 0 0 308.765 3.069 20 10 DGCDRN O=C(NCCC[C@@H]1CC1(Cl)Cl)NCc1ccccc1O ZINC000844940264 630997852 /nfs/dbraw/zinc/99/78/52/630997852.db2.gz VMAMWYBROMHQAL-LLVKDONJSA-N 0 0 317.216 3.165 20 10 DGCDRN Cc1cc(C(=O)COC(=O)[C@H]2C[C@@H]2C)c(C)n1-c1ccccc1 ZINC000005405672 631019079 /nfs/dbraw/zinc/01/90/79/631019079.db2.gz PFLWWVWOCULFLL-LRDDRELGSA-N 0 0 311.381 3.476 20 10 DGCDRN CS[C@@H]1CC[C@@H](NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000845011608 631033266 /nfs/dbraw/zinc/03/32/66/631033266.db2.gz DWCOECUOSWYSIA-VXGBXAGGSA-N 0 0 314.838 3.129 20 10 DGCDRN C[C@@H](NC(=O)N1CC[C@]2(CC2(F)F)C1)c1ccc(N(C)C)cc1 ZINC000845123703 631084202 /nfs/dbraw/zinc/08/42/02/631084202.db2.gz CZSJHIVRMWCBLJ-WBMJQRKESA-N 0 0 323.387 3.254 20 10 DGCDRN CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)[C@@H](C)CO1 ZINC000845125036 631087224 /nfs/dbraw/zinc/08/72/24/631087224.db2.gz KPUGBDOOLHZRDQ-GRDNDAEWSA-N 0 0 319.449 3.023 20 10 DGCDRN Cc1cc(C)c(CNC(=O)NCc2cc(Cl)ccc2O)cn1 ZINC000845246106 631155581 /nfs/dbraw/zinc/15/55/81/631155581.db2.gz NBMKJUDEBGIMBZ-UHFFFAOYSA-N 0 0 319.792 3.057 20 10 DGCDRN COc1ccsc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000105957045 631180758 /nfs/dbraw/zinc/18/07/58/631180758.db2.gz UERXQASJYURSMM-UHFFFAOYSA-N 0 0 316.426 3.069 20 10 DGCDRN O=C(/C=C\C1CCCCCC1)NCCc1ccc(O)c(O)c1 ZINC000845834445 631198177 /nfs/dbraw/zinc/19/81/77/631198177.db2.gz VYDMBQXNAKNFBX-NTMALXAHSA-N 0 0 303.402 3.283 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000846042403 631207771 /nfs/dbraw/zinc/20/77/71/631207771.db2.gz LDOZGOLVQWFMEB-HNNXBMFYSA-N 0 0 313.800 3.480 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Cc1cc(C)no1 ZINC000846096142 631209408 /nfs/dbraw/zinc/20/94/08/631209408.db2.gz UVEKXPYEZZHBEV-UHFFFAOYSA-N 0 0 302.374 3.060 20 10 DGCDRN COc1cccc([C@@H](C)NCc2csc([C@H](C)OC)n2)c1O ZINC000846148825 631212391 /nfs/dbraw/zinc/21/23/91/631212391.db2.gz HWLXGEDIUQTXDC-MNOVXSKESA-N 0 0 322.430 3.416 20 10 DGCDRN COc1cccc([C@H](C)N[C@H](C(=O)OC(C)(C)C)C(C)C)c1O ZINC000846160271 631212724 /nfs/dbraw/zinc/21/27/24/631212724.db2.gz NPJVSAGMACCBRU-WFASDCNBSA-N 0 0 323.433 3.418 20 10 DGCDRN C[C@H]1CN(C(=O)NCCc2ccc(N)cc2)CCc2ccccc21 ZINC000846171889 631213658 /nfs/dbraw/zinc/21/36/58/631213658.db2.gz JIJYTRAPPRCIEX-HNNXBMFYSA-N 0 0 323.440 3.183 20 10 DGCDRN CC[C@H]([NH2+]CC[C@@]1(O)CCCOC1)c1cccc(Cl)c1[O-] ZINC000846210884 631215061 /nfs/dbraw/zinc/21/50/61/631215061.db2.gz CWNBCNLBBPQUAF-HOCLYGCPSA-N 0 0 313.825 3.018 20 10 DGCDRN Cc1cc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H]2C)ccc1N1CCCCC1 ZINC000846282723 631221532 /nfs/dbraw/zinc/22/15/32/631221532.db2.gz ASGAHTDIMMJNNF-NVXWUHKLSA-N 0 0 316.445 3.280 20 10 DGCDRN C=C/C(C)=C\CC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000846441873 631246552 /nfs/dbraw/zinc/24/65/52/631246552.db2.gz FHUOJGHWRDLFQX-CHHVJCJISA-N 0 0 302.418 3.112 20 10 DGCDRN Cc1nc(C2CC2)oc1C(=O)NCc1cc(Cl)ccc1O ZINC000846473900 631249526 /nfs/dbraw/zinc/24/95/26/631249526.db2.gz OGLVEPJRZHHAFF-UHFFFAOYSA-N 0 0 306.749 3.149 20 10 DGCDRN O=C(C[C@H]1CCC(F)(F)C1)NCc1cc(Cl)ccc1O ZINC000846473080 631249546 /nfs/dbraw/zinc/24/95/46/631249546.db2.gz IKZXWGADISQIBA-SECBINFHSA-N 0 0 303.736 3.487 20 10 DGCDRN CC[C@@H](C)CC[C@@H](O)CC(=O)NCc1cc(Cl)ccc1O ZINC000846473511 631249548 /nfs/dbraw/zinc/24/95/48/631249548.db2.gz MRACJDBYJYPNHH-BXUZGUMPSA-N 0 0 313.825 3.239 20 10 DGCDRN Cc1cc(C)n([C@@H](C)CC(=O)NCc2cc(Cl)ccc2O)n1 ZINC000846474070 631249552 /nfs/dbraw/zinc/24/95/52/631249552.db2.gz XOCYFQZOQCFQGA-LBPRGKRZSA-N 0 0 321.808 3.126 20 10 DGCDRN CCc1nccn1[C@@H](C)CC(=O)NCc1cc(Cl)ccc1O ZINC000846475664 631250737 /nfs/dbraw/zinc/25/07/37/631250737.db2.gz DYMGSVSWLXKKJC-NSHDSACASA-N 0 0 321.808 3.072 20 10 DGCDRN CCn1c(C)cc(C(=O)NCc2cc(Cl)ccc2O)c1C ZINC000846480010 631251245 /nfs/dbraw/zinc/25/12/45/631251245.db2.gz SHRHRMMWPSDKDF-UHFFFAOYSA-N 0 0 306.793 3.414 20 10 DGCDRN C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCc2ccccc21 ZINC000846515860 631254543 /nfs/dbraw/zinc/25/45/43/631254543.db2.gz FHLVKLNGXKCWHK-RCQQVGEISA-N 0 0 323.392 3.299 20 10 DGCDRN Cc1cc(C(=O)N(C)[C@@H](C)CCO)c(C)n1-c1ccc(F)cc1 ZINC000846600995 631272656 /nfs/dbraw/zinc/27/26/56/631272656.db2.gz OTDBBCWWXXAZGC-LBPRGKRZSA-N 0 0 318.392 3.076 20 10 DGCDRN COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)o1 ZINC000846803803 631310059 /nfs/dbraw/zinc/31/00/59/631310059.db2.gz SMSDMHPUVUQPPU-UHFFFAOYSA-N 0 0 316.401 3.405 20 10 DGCDRN C/C(=C/c1cccnc1)C(=O)N(C[C@@H]1CCCO1)c1ccncc1 ZINC000846879771 631338101 /nfs/dbraw/zinc/33/81/01/631338101.db2.gz QELYTPNBRWMSQJ-NZHZHZHDSA-N 0 0 323.396 3.092 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C(C)=C/c1cccnc1)C[C@@H](C)O2 ZINC000846888204 631341299 /nfs/dbraw/zinc/34/12/99/631341299.db2.gz GUYLULXEYVLJBL-KADHNRKRSA-N 0 0 324.380 3.308 20 10 DGCDRN C/C(=C\c1ccncc1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000846976834 631371516 /nfs/dbraw/zinc/37/15/16/631371516.db2.gz HKNOGDFOQGVCEZ-SZGUKTLCSA-N 0 0 309.413 3.428 20 10 DGCDRN CN(CC1CC1)C(=O)CN(C)c1ccc(-c2nccs2)cc1 ZINC000846991131 631375292 /nfs/dbraw/zinc/37/52/92/631375292.db2.gz DIAVRERRAZEIRG-UHFFFAOYSA-N 0 0 315.442 3.115 20 10 DGCDRN CCN(CC)C(=O)CN(C)c1ccc(-c2nccs2)cc1 ZINC000846992922 631376358 /nfs/dbraw/zinc/37/63/58/631376358.db2.gz OFWVSJUFHGVIIV-UHFFFAOYSA-N 0 0 303.431 3.115 20 10 DGCDRN CCN1C[C@H](CN(C)c2ccc(-c3nccs3)cc2)OC1=O ZINC000846996392 631376914 /nfs/dbraw/zinc/37/69/14/631376914.db2.gz RLIYGQNTWHPONI-AWEZNQCLSA-N 0 0 317.414 3.087 20 10 DGCDRN COc1ccc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)o1 ZINC000847083063 631399908 /nfs/dbraw/zinc/39/99/08/631399908.db2.gz YRXSWXDNMTVWDB-ZDUSSCGKSA-N 0 0 316.401 3.024 20 10 DGCDRN C[C@@H](NC(=O)NCc1ccccc1O)C1CCC(F)(F)CC1 ZINC000847303132 631456916 /nfs/dbraw/zinc/45/69/16/631456916.db2.gz USGQDPWXADRYOF-LLVKDONJSA-N 0 0 312.360 3.405 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NC[C@H]1CCC2(CCCC2)O1 ZINC000847449320 631478390 /nfs/dbraw/zinc/47/83/90/631478390.db2.gz OSKMJDHWGLRFNR-OAHLLOKOSA-N 0 0 318.417 3.025 20 10 DGCDRN C/C(=C/c1ccccn1)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000847591127 631493635 /nfs/dbraw/zinc/49/36/35/631493635.db2.gz QETVQBFBEYKKGS-OWBHPGMISA-N 0 0 322.408 3.386 20 10 DGCDRN CC[C@H](C)c1nc(C)c(CC(=O)Nc2ccc(N)cc2)c(C)n1 ZINC000848392925 631653006 /nfs/dbraw/zinc/65/30/06/631653006.db2.gz KJDLLVUIVFSCQT-NSHDSACASA-N 0 0 312.417 3.370 20 10 DGCDRN Cc1ccc([C@H](NC(=O)C2=CC(=O)CS2)C(F)(F)F)o1 ZINC000848391710 631653097 /nfs/dbraw/zinc/65/30/97/631653097.db2.gz OBFVIQJVDZEIMB-JTQLQIEISA-N 0 0 305.277 3.389 20 10 DGCDRN CC[C@H]([NH2+]C[C@](C)(CO)OC)c1ccc(Cl)c(Cl)c1[O-] ZINC000848557606 631691772 /nfs/dbraw/zinc/69/17/72/631691772.db2.gz GGGAYDPACDCLJT-SMDDNHRTSA-N 0 0 322.232 3.137 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCCO1 ZINC000848567908 631695596 /nfs/dbraw/zinc/69/55/96/631695596.db2.gz SLJGDGWLBLJDSX-HZUKXOBISA-N 0 0 308.378 3.299 20 10 DGCDRN CCN(CC)c1ccc(C[N@H+](CC(=O)[O-])C2CCC2)cc1F ZINC000848639064 631714712 /nfs/dbraw/zinc/71/47/12/631714712.db2.gz FKQTUZLUEHDSTM-UHFFFAOYSA-N 0 0 308.397 3.111 20 10 DGCDRN CCc1cccc(CN2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c1O ZINC000848888113 631772768 /nfs/dbraw/zinc/77/27/68/631772768.db2.gz MFWUULZCCXDRKK-ZWNOBZJWSA-N 0 0 303.324 3.106 20 10 DGCDRN COc1ccc(CN[C@H](C)C(=O)OCc2ccccc2)cc1C ZINC000848920485 631787380 /nfs/dbraw/zinc/78/73/80/631787380.db2.gz HMFRYPMUGSAYPK-OAHLLOKOSA-N 0 0 313.397 3.225 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3ccccc3)C2)cc1 ZINC000849225653 631858837 /nfs/dbraw/zinc/85/88/37/631858837.db2.gz YJSQEFFXJFVCFZ-HNNXBMFYSA-N 0 0 311.385 3.096 20 10 DGCDRN COc1ccnc(CNC(=S)Nc2ccc(C)c(C)c2)c1F ZINC000849296897 631883307 /nfs/dbraw/zinc/88/33/07/631883307.db2.gz LFLGUCHTIBZEJB-UHFFFAOYSA-N 0 0 319.405 3.333 20 10 DGCDRN CCC(C)(C)N(C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849417147 631907324 /nfs/dbraw/zinc/90/73/24/631907324.db2.gz KMAJYAKMFRDTLH-AWEZNQCLSA-N 0 0 319.449 3.104 20 10 DGCDRN Cc1cc(C(=O)O[C@H]2COC(C)(C)C2)c(C)n1-c1ccccn1 ZINC000849679575 631934214 /nfs/dbraw/zinc/93/42/14/631934214.db2.gz JZTLKACLOZARLL-CQSZACIVSA-N 0 0 314.385 3.213 20 10 DGCDRN O=C(COC(=O)C1CC2(C1)CCCCC2)c1ccc(O)c(O)c1 ZINC000850072111 632047744 /nfs/dbraw/zinc/04/77/44/632047744.db2.gz KZVCRDINKZEFBX-UHFFFAOYSA-N 0 0 318.369 3.184 20 10 DGCDRN CN(C)c1ccc(/C=C/CNc2ccc3c(c2)CCNC3=O)cc1 ZINC000850346110 632120214 /nfs/dbraw/zinc/12/02/14/632120214.db2.gz BEPDETXYAIWVIX-ONEGZZNKSA-N 0 0 321.424 3.164 20 10 DGCDRN CCn1ccc(NCc2cc(C)cc(Br)c2O)n1 ZINC000850363954 632126899 /nfs/dbraw/zinc/12/68/99/632126899.db2.gz SXIQQMCMAQWCNP-UHFFFAOYSA-N 0 0 310.195 3.292 20 10 DGCDRN CC[C@H](COCC1CC1)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850495206 632171498 /nfs/dbraw/zinc/17/14/98/632171498.db2.gz YJHMJTHBOZVQCR-DGCLKSJQSA-N 0 0 308.378 3.156 20 10 DGCDRN CC[C@H]([NH2+][C@H]1C[C@H](C)n2ncnc21)c1cccc(Cl)c1[O-] ZINC000850498830 632172682 /nfs/dbraw/zinc/17/26/82/632172682.db2.gz DQCRJYSSLHXFCY-XDTLVQLUSA-N 0 0 306.797 3.384 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCC2(CSC)CC2)c1 ZINC000850508625 632174535 /nfs/dbraw/zinc/17/45/35/632174535.db2.gz VDFOFJWOSZFQLG-LBPRGKRZSA-N 0 0 323.458 3.363 20 10 DGCDRN COc1cccc(OC)c1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000850505607 632174658 /nfs/dbraw/zinc/17/46/58/632174658.db2.gz TZLQYLGIDSFXJB-LLVKDONJSA-N 0 0 305.349 3.399 20 10 DGCDRN C[C@H]([NH2+][C@@H]1C[C@@H](O)c2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850528184 632181640 /nfs/dbraw/zinc/18/16/40/632181640.db2.gz JDORVKOQLNOXDV-UDTVLSCZSA-N 0 0 314.341 3.129 20 10 DGCDRN C[C@H](CN1CCC(C)CC1)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850542952 632188427 /nfs/dbraw/zinc/18/84/27/632188427.db2.gz DIEZKVGGCXKTMY-ZIAGYGMSSA-N 0 0 321.421 3.071 20 10 DGCDRN C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)c1cccc(C(F)(F)F)c1[O-] ZINC000850547243 632188936 /nfs/dbraw/zinc/18/89/36/632188936.db2.gz SHMIKZJNZNUJAD-TVYUQYBPSA-N 0 0 315.335 3.365 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2C(C)(C)C2(F)F)c1 ZINC000850553203 632191018 /nfs/dbraw/zinc/19/10/18/632191018.db2.gz UAFAJBYLDWUHQA-NOZJJQNGSA-N 0 0 313.344 3.121 20 10 DGCDRN CC[C@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(F)cc1[O-] ZINC000850553883 632191104 /nfs/dbraw/zinc/19/11/04/632191104.db2.gz ALMHKVAQDNCQKW-DOMZBBRYSA-N 0 0 322.424 3.219 20 10 DGCDRN Nc1ccc(CCNC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)cc1 ZINC000851632524 632462492 /nfs/dbraw/zinc/46/24/92/632462492.db2.gz RHVYAZJNUWLQNK-HOCLYGCPSA-N 0 0 308.372 3.143 20 10 DGCDRN COc1cccc(C2(NC(=O)Cc3ccc(N)cc3)CCC2)c1 ZINC000851648259 632466940 /nfs/dbraw/zinc/46/69/40/632466940.db2.gz ZDCBVUAZSUSNGR-UHFFFAOYSA-N 0 0 310.397 3.016 20 10 DGCDRN Nc1ccc(Cc2nc(C(=O)NCC3=CCCC3)cs2)cc1 ZINC000851647855 632467207 /nfs/dbraw/zinc/46/72/07/632467207.db2.gz NWRUKXANMMFJAL-UHFFFAOYSA-N 0 0 313.426 3.156 20 10 DGCDRN CCc1nnc([C@H](C)N(C)Cc2ccc(N(CC)CC)cc2)[nH]1 ZINC000851716518 632473122 /nfs/dbraw/zinc/47/31/22/632473122.db2.gz NXZADRXLGNWDNF-AWEZNQCLSA-N 0 0 315.465 3.406 20 10 DGCDRN CO[C@H](C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)C1CCC1 ZINC000851840425 632506892 /nfs/dbraw/zinc/50/68/92/632506892.db2.gz GPXVWIZPXBQFAS-PKOBYXMFSA-N 0 0 319.445 3.188 20 10 DGCDRN CN(C[C@@H]1CC1(C)C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000851988314 632535329 /nfs/dbraw/zinc/53/53/29/632535329.db2.gz XIZXXOZRIBWKMC-INIZCTEOSA-N 0 0 315.461 3.474 20 10 DGCDRN Cc1ccc(C(=O)OCCCOc2ccccc2)c(O)c1O ZINC000110527700 632584251 /nfs/dbraw/zinc/58/42/51/632584251.db2.gz XOEXYDLLQIDNCP-UHFFFAOYSA-N 0 0 302.326 3.032 20 10 DGCDRN CSCC1(CCNC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000852502086 632612978 /nfs/dbraw/zinc/61/29/78/632612978.db2.gz ZNGDZFBXJZKRFG-UHFFFAOYSA-N 0 0 321.490 3.085 20 10 DGCDRN CN(C)c1ccc(CNCc2occc2Br)cc1 ZINC000227364584 659154274 /nfs/dbraw/zinc/15/42/74/659154274.db2.gz ZDWGHIPAOREFMD-UHFFFAOYSA-N 0 0 309.207 3.398 20 10 DGCDRN COc1cc(C)c(NC(=O)c2ccc(C)c(O)c2O)cc1F ZINC000186039746 660263284 /nfs/dbraw/zinc/26/32/84/660263284.db2.gz XHGTUPKVFQHZFC-UHFFFAOYSA-N 0 0 305.305 3.115 20 10 DGCDRN CC[C@H]1Cc2ccccc2CN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000186041561 660263494 /nfs/dbraw/zinc/26/34/94/660263494.db2.gz AAIGUJGACKAVFZ-VMSUTVGLSA-N 0 0 323.392 3.475 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)c1 ZINC000186211704 660343316 /nfs/dbraw/zinc/34/33/16/660343316.db2.gz UVPMVIQJSLLUAB-SGMGOOAPSA-N 0 0 306.406 3.025 20 10 DGCDRN O=C(N[C@@H]1CCSc2ccccc21)c1cccc(O)c1O ZINC000186785463 660574575 /nfs/dbraw/zinc/57/45/75/660574575.db2.gz QYZXYPZSCMXEOR-GFCCVEGCSA-N 0 0 301.367 3.065 20 10 DGCDRN CN(C)c1ccc(CNC(=O)CSc2cccs2)cc1 ZINC000029055293 660577054 /nfs/dbraw/zinc/57/70/54/660577054.db2.gz QHVMYXSNGLRHBC-UHFFFAOYSA-N 0 0 306.456 3.223 20 10 DGCDRN CC[C@@H]1CO[C@H](C)CN1Cc1c(O)cccc1Br ZINC000707146663 660893646 /nfs/dbraw/zinc/89/36/46/660893646.db2.gz QDPJWOLCPRYMHV-GHMZBOCLSA-N 0 0 314.223 3.154 20 10 DGCDRN CCC[C@@H](C[NH2+]Cc1cccc(Br)c1[O-])OCC ZINC000707865652 660917331 /nfs/dbraw/zinc/91/73/31/660917331.db2.gz SKXIQPBKDMKXBS-LBPRGKRZSA-N 0 0 316.239 3.450 20 10 DGCDRN CC[C@](C)(CO)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708098310 660918139 /nfs/dbraw/zinc/91/81/39/660918139.db2.gz HTGMKMYVKMYCBY-GFCCVEGCSA-N 0 0 322.630 3.059 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])C(C)(C)O ZINC000708197372 660918616 /nfs/dbraw/zinc/91/86/16/660918616.db2.gz PCERCBIXGFMUEF-ZETCQYMHSA-N 0 0 322.630 3.057 20 10 DGCDRN CN(C)c1ccc(CN2CCOCC2(C)C)c(C(F)(F)F)c1 ZINC000792791224 660984918 /nfs/dbraw/zinc/98/49/18/660984918.db2.gz GLWATBKKECPPRK-UHFFFAOYSA-N 0 0 316.367 3.382 20 10 DGCDRN CC[C@@H](C)CC[C@@H](O)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000792878344 660990803 /nfs/dbraw/zinc/99/08/03/660990803.db2.gz QJSDBBFASOBZPC-CRAIPNDOSA-N 0 0 320.477 3.288 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N(CC2CC2)C2CCC2)cc1F ZINC000792951552 660996562 /nfs/dbraw/zinc/99/65/62/660996562.db2.gz HQMWDEFHYSLYDL-UHFFFAOYSA-N 0 0 319.424 3.366 20 10 DGCDRN CCC[C@](C)(CC)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000793161794 661008770 /nfs/dbraw/zinc/00/87/70/661008770.db2.gz HIYNNFAPXODXMR-IBGZPJMESA-N 0 0 318.461 3.356 20 10 DGCDRN CC[C@@H]1CCCC[C@H]1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000793797614 661057749 /nfs/dbraw/zinc/05/77/49/661057749.db2.gz WERCBCWQHICXGB-BPLDGKMQSA-N 0 0 305.418 3.361 20 10 DGCDRN C[C@@H](NC(=O)[C@H]1Cc2ccc(F)cc21)c1ccc(N(C)C)cc1 ZINC000793857233 661061034 /nfs/dbraw/zinc/06/10/34/661061034.db2.gz TXCBJVODGULNPB-XIKOKIGWSA-N 0 0 312.388 3.409 20 10 DGCDRN Cc1cncc(CCC(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000794335156 661079123 /nfs/dbraw/zinc/07/91/23/661079123.db2.gz DSBUQLDXRBGCPJ-UHFFFAOYSA-N 0 0 311.429 3.013 20 10 DGCDRN COc1ccc(CNC(=O)C(C)(C)c2ccccc2F)c(O)c1 ZINC000794374358 661081516 /nfs/dbraw/zinc/08/15/16/661081516.db2.gz QGRMDOFBOGSJMG-UHFFFAOYSA-N 0 0 317.360 3.134 20 10 DGCDRN COc1ccc(CNC(=O)CCc2ccccc2Cl)c(O)c1 ZINC000794381275 661081818 /nfs/dbraw/zinc/08/18/18/661081818.db2.gz NXPJMLJTGMZKRN-UHFFFAOYSA-N 0 0 319.788 3.303 20 10 DGCDRN COc1ccc(CNC(=O)C(C)(C)Cc2ccccc2)c(O)c1 ZINC000794379057 661081849 /nfs/dbraw/zinc/08/18/49/661081849.db2.gz MOYVQELXJJGKGS-UHFFFAOYSA-N 0 0 313.397 3.286 20 10 DGCDRN COc1ccc(CNC(=O)c2ccc3ccccc3c2O)c(O)c1 ZINC000794380780 661081860 /nfs/dbraw/zinc/08/18/60/661081860.db2.gz CMKAEFBYIIAQFJ-UHFFFAOYSA-N 0 0 323.348 3.190 20 10 DGCDRN COc1ccc(CNC(=O)C/C=C\c2ccc(C)cc2)c(O)c1 ZINC000794387568 661082487 /nfs/dbraw/zinc/08/24/87/661082487.db2.gz LGTAVPIDQOKLCY-ARJAWSKDSA-N 0 0 311.381 3.429 20 10 DGCDRN COc1ccc(CNC(=O)c2c(C)oc3ccccc32)c(O)c1 ZINC000794388253 661082634 /nfs/dbraw/zinc/08/26/34/661082634.db2.gz SPQSQRYTVGDGLW-UHFFFAOYSA-N 0 0 311.337 3.385 20 10 DGCDRN COc1ccc(CNC(=O)C2(c3ccccc3)CCC2)c(O)c1 ZINC000794388172 661082636 /nfs/dbraw/zinc/08/26/36/661082636.db2.gz RKXSTZCYZUKJLS-UHFFFAOYSA-N 0 0 311.381 3.139 20 10 DGCDRN O=C(N[C@H]1CC[C@@H](c2cccc(F)c2)C1)c1cccc(O)c1O ZINC000794279793 661076353 /nfs/dbraw/zinc/07/63/53/661076353.db2.gz KIIJSFBJMXFVPZ-OCCSQVGLSA-N 0 0 315.344 3.303 20 10 DGCDRN COc1ccc(CNC(=O)Nc2cccc(C)c2C)c(O)c1 ZINC000794762516 661104304 /nfs/dbraw/zinc/10/43/04/661104304.db2.gz WJQGWOJXFSNLRO-UHFFFAOYSA-N 0 0 300.358 3.339 20 10 DGCDRN CON(Cc1ccc(Cl)cc1)C(=O)c1ccc(C)c(O)c1O ZINC000795069685 661125105 /nfs/dbraw/zinc/12/51/05/661125105.db2.gz ZAFYUDHHWWCPKY-UHFFFAOYSA-N 0 0 321.760 3.263 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)C2CCOCC2)c1 ZINC000795080814 661125314 /nfs/dbraw/zinc/12/53/14/661125314.db2.gz MCGAXUZSXDXNLI-LBPRGKRZSA-N 0 0 321.417 3.031 20 10 DGCDRN COc1ccc(CNc2cc(OC)c(F)cc2[N+](=O)[O-])c(O)c1 ZINC000795286044 661138221 /nfs/dbraw/zinc/13/82/21/661138221.db2.gz YLHTVUILDDVARY-UHFFFAOYSA-N 0 0 322.292 3.069 20 10 DGCDRN Cc1noc(C(C)C)c1NC(=O)NCc1c(O)cccc1F ZINC000932833280 655614401 /nfs/dbraw/zinc/61/44/01/655614401.db2.gz PMKBYDRSUBGJFQ-UHFFFAOYSA-N 0 0 307.325 3.273 20 10 DGCDRN COCCN(Cc1cnc(C)s1)c1ccc(OC)c(OC)c1 ZINC000083212548 655622720 /nfs/dbraw/zinc/62/27/20/655622720.db2.gz GSSDKGOKRRGQPL-UHFFFAOYSA-N 0 0 322.430 3.122 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@H](C)c1ccncc1 ZINC000160625901 655660736 /nfs/dbraw/zinc/66/07/36/655660736.db2.gz XMLQSQMBJJIDAM-HNNXBMFYSA-N 0 0 311.429 3.266 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C=C\c1cncc(C)c1)C[C@@H](C)O2 ZINC000255233473 655668007 /nfs/dbraw/zinc/66/80/07/655668007.db2.gz LWZDJAGUYKLCML-HJHHMULASA-N 0 0 324.380 3.226 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C2(CCOC)CCC2)cc1 ZINC000177909050 655675019 /nfs/dbraw/zinc/67/50/19/655675019.db2.gz MGKRAUHAYKDISU-UHFFFAOYSA-N 0 0 318.461 3.356 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc3c(c2)C[C@@H](C)O3)c1 ZINC000933136214 655685699 /nfs/dbraw/zinc/68/56/99/655685699.db2.gz DOJLVQZUUIVXQJ-GFCCVEGCSA-N 0 0 312.369 3.346 20 10 DGCDRN CCC(CC)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000068549065 655687983 /nfs/dbraw/zinc/68/79/83/655687983.db2.gz SMSKQIAOFKYQQL-AWEZNQCLSA-N 0 0 319.449 3.072 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc3c(s2)CCC3)c1 ZINC000157885219 655706133 /nfs/dbraw/zinc/70/61/33/655706133.db2.gz DEZKAHDDVHGZHK-JTQLQIEISA-N 0 0 317.410 3.442 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCC2(C(C)C)CC2)c1 ZINC000176032234 655715871 /nfs/dbraw/zinc/71/58/71/655715871.db2.gz JFJGNSYMLSQLMB-GFCCVEGCSA-N 0 0 306.406 3.197 20 10 DGCDRN CC[C@](C)(NC(=O)N[C@@H](C)c1ccccc1O)C(F)(F)F ZINC000933507672 655717043 /nfs/dbraw/zinc/71/70/43/655717043.db2.gz YBINBEFRKOFZLK-ZANVPECISA-N 0 0 304.312 3.483 20 10 DGCDRN CN(C)Cc1ccc(NC(=O)C2=CC(=O)CS2)cc1Cl ZINC000795938373 661180901 /nfs/dbraw/zinc/18/09/01/661180901.db2.gz VMLDIHIWIAMPMS-UHFFFAOYSA-N 0 0 310.806 3.421 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@H](c2ccccc2)C2CC2)c1 ZINC000158652784 655787352 /nfs/dbraw/zinc/78/73/52/655787352.db2.gz OTMQLAVMXYDLPG-GOSISDBHSA-N 0 0 311.381 3.211 20 10 DGCDRN Cc1cncc(/C=C/C(=O)N2CCCN(C)c3ccccc32)c1 ZINC000178655587 655793946 /nfs/dbraw/zinc/79/39/46/655793946.db2.gz NAAHTTBYRIBSAU-CMDGGOBGSA-N 0 0 307.397 3.276 20 10 DGCDRN CC(C)(C)Cc1ncc(C(=O)NCc2ccc(O)c(O)c2)s1 ZINC000934943327 655814387 /nfs/dbraw/zinc/81/43/87/655814387.db2.gz HRZNMELBKHFGCL-UHFFFAOYSA-N 0 0 320.414 3.073 20 10 DGCDRN CCN(Cc1ccccc1)c1ccc(CNc2ncnn2C)cc1 ZINC000162158003 655848619 /nfs/dbraw/zinc/84/86/19/655848619.db2.gz JMJMGFIRBJJCAH-UHFFFAOYSA-N 0 0 321.428 3.454 20 10 DGCDRN C[C@@H]1SCC[C@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000309783728 655882731 /nfs/dbraw/zinc/88/27/31/655882731.db2.gz NNFCAUUVYBYZOY-GZMMTYOYSA-N 0 0 302.237 3.138 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](c1ccccc1)N(C)C)c1cc(F)ccc1O ZINC000176980972 655885630 /nfs/dbraw/zinc/88/56/30/655885630.db2.gz GQEFORNBWIUFFB-CXAGYDPISA-N 0 0 302.393 3.485 20 10 DGCDRN Cc1cc(C(=O)OC[C@@]2(C)CCCO2)c(C)n1-c1ccccn1 ZINC000177260944 655918515 /nfs/dbraw/zinc/91/85/15/655918515.db2.gz DFBJYCTVIVZOJM-GOSISDBHSA-N 0 0 314.385 3.215 20 10 DGCDRN CCc1ccc(/C=C2\SC(=S)N(Cc3ccon3)C2=O)o1 ZINC000178017534 655952674 /nfs/dbraw/zinc/95/26/74/655952674.db2.gz KRLCUVXORVGLEX-GHXNOFRVSA-N 0 0 320.395 3.231 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCC2(C)CCCC2)c1 ZINC000066599644 655955831 /nfs/dbraw/zinc/95/58/31/655955831.db2.gz AVTDILKBCNFRIK-GFCCVEGCSA-N 0 0 306.406 3.341 20 10 DGCDRN COC1(C)CC[NH+](Cc2cccc(Br)c2[O-])CC1 ZINC000311166642 655981565 /nfs/dbraw/zinc/98/15/65/655981565.db2.gz QWVBDHXNDRPJJA-UHFFFAOYSA-N 0 0 314.223 3.156 20 10 DGCDRN COC(C)(C)CC[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715735121 661214199 /nfs/dbraw/zinc/21/41/99/661214199.db2.gz CTFJAIXZEKSRDB-UHFFFAOYSA-N 0 0 320.202 3.199 20 10 DGCDRN CS[C@@H](C)C[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715745264 661214324 /nfs/dbraw/zinc/21/43/24/661214324.db2.gz LLNCSGHQNBELBM-ZETCQYMHSA-N 0 0 308.216 3.135 20 10 DGCDRN CSC1(C[NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715789161 661214578 /nfs/dbraw/zinc/21/45/78/661214578.db2.gz NLGDUSSUUOZASQ-UHFFFAOYSA-N 0 0 320.227 3.279 20 10 DGCDRN C[C@H]1SCC[C@H]1[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715790717 661214774 /nfs/dbraw/zinc/21/47/74/661214774.db2.gz CPEDUIZJLADCJG-RDDDGLTNSA-N 0 0 320.227 3.277 20 10 DGCDRN CC[C@@H](C)N(C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000122690067 656078873 /nfs/dbraw/zinc/07/88/73/656078873.db2.gz OTEPGUPAUZQPDV-CQSZACIVSA-N 0 0 321.490 3.180 20 10 DGCDRN CSc1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000180600342 656094204 /nfs/dbraw/zinc/09/42/04/656094204.db2.gz CJMYCRVSOIOFRH-SOFGYWHQSA-N 0 0 301.367 3.472 20 10 DGCDRN Cc1cc(F)c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1F ZINC000183432333 656112537 /nfs/dbraw/zinc/11/25/37/656112537.db2.gz IZTYXCWSGUXDJP-SNVBAGLBSA-N 0 0 321.323 3.045 20 10 DGCDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C1CC=CC1 ZINC000085709738 656115742 /nfs/dbraw/zinc/11/57/42/656115742.db2.gz RYLRFHSOAJMCCJ-UHFFFAOYSA-N 0 0 317.344 3.367 20 10 DGCDRN CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000184916111 656122194 /nfs/dbraw/zinc/12/21/94/656122194.db2.gz JJEBZQJZMHSZQJ-NSHDSACASA-N 0 0 302.349 3.341 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1occc1Br ZINC000081751057 656138075 /nfs/dbraw/zinc/13/80/75/656138075.db2.gz ITEJCSQCPWRVET-UHFFFAOYSA-N 0 0 310.147 3.020 20 10 DGCDRN Cc1cccc(F)c1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000194002805 656196448 /nfs/dbraw/zinc/19/64/48/656196448.db2.gz YINLNGYZEHHNLU-LLVKDONJSA-N 0 0 318.348 3.298 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCC2(SC)CCC2)c1 ZINC000195130576 656209135 /nfs/dbraw/zinc/20/91/35/656209135.db2.gz CDVNLVHQVHWFRA-NSHDSACASA-N 0 0 324.446 3.047 20 10 DGCDRN Cc1noc([C@@H]2CCCN2Cc2c(O)cc(C)cc2Cl)n1 ZINC000840946044 656581817 /nfs/dbraw/zinc/58/18/17/656581817.db2.gz GTNWKDGGWVTMHA-ZDUSSCGKSA-N 0 0 307.781 3.383 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000054056246 656656240 /nfs/dbraw/zinc/65/62/40/656656240.db2.gz BYSIXLMBFKLPCL-OKILXGFUSA-N 0 0 318.442 3.405 20 10 DGCDRN O=C(NCc1ccccc1O)c1ccc(F)c(C(F)(F)F)c1 ZINC000319359340 656939324 /nfs/dbraw/zinc/93/93/24/656939324.db2.gz WZZVCCSEHCGYMJ-UHFFFAOYSA-N 0 0 313.250 3.480 20 10 DGCDRN O=C1NC(=S)S/C1=C\c1ccc(F)cc1C(F)(F)F ZINC000178764712 657043779 /nfs/dbraw/zinc/04/37/79/657043779.db2.gz PNZRBHWENXLRPE-BAQGIRSFSA-N 0 0 307.293 3.333 20 10 DGCDRN CO[C@H](C)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000067299334 657093654 /nfs/dbraw/zinc/09/36/54/657093654.db2.gz LYFDFEPXIAMZSW-CQSZACIVSA-N 0 0 304.434 3.107 20 10 DGCDRN C[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1OC(F)F ZINC000319629208 657110006 /nfs/dbraw/zinc/11/00/06/657110006.db2.gz PDQXKNKOHXBFMO-LLVKDONJSA-N 0 0 320.339 3.290 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000302992388 657506802 /nfs/dbraw/zinc/50/68/02/657506802.db2.gz FGSXZEIUWKYGCG-RHSMWYFYSA-N 0 0 314.404 3.456 20 10 DGCDRN C[C@H](Nc1cccc(N2CCNC2=O)c1)c1ccc(F)cc1O ZINC000320513178 657557536 /nfs/dbraw/zinc/55/75/36/657557536.db2.gz DZLGHKCIBUFFQU-NSHDSACASA-N 0 0 315.348 3.234 20 10 DGCDRN CCCCOC(=O)CN(Cc1ccco1)Cc1ccccc1O ZINC000096970849 657578666 /nfs/dbraw/zinc/57/86/66/657578666.db2.gz VRANRFCILMMDAZ-UHFFFAOYSA-N 0 0 317.385 3.331 20 10 DGCDRN CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1cccc(Br)c1[O-] ZINC000304033566 657590362 /nfs/dbraw/zinc/59/03/62/657590362.db2.gz GYJYEMAGRXSAEJ-YGRLFVJLSA-N 0 0 316.239 3.041 20 10 DGCDRN Cc1cc(C(=O)Nc2cccc(CO)c2)c(C)n1-c1ccccn1 ZINC000305706733 657919400 /nfs/dbraw/zinc/91/94/00/657919400.db2.gz WGEKIDABRQKCRT-UHFFFAOYSA-N 0 0 321.380 3.234 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(F)c(N)c1 ZINC000320993348 658066570 /nfs/dbraw/zinc/06/65/70/658066570.db2.gz MXZKYVRPEAKNJH-UHFFFAOYSA-N 0 0 315.392 3.136 20 10 DGCDRN COc1ncccc1NCc1cccc(Br)c1O ZINC000042412091 658772672 /nfs/dbraw/zinc/77/26/72/658772672.db2.gz ULLMEXWGIBWHNK-UHFFFAOYSA-N 0 0 309.163 3.170 20 10 DGCDRN C[C@H]1CCCC[C@H]1N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000031730304 658845171 /nfs/dbraw/zinc/84/51/71/658845171.db2.gz DNELWIIQFSTEQI-WMLDXEAASA-N 0 0 303.450 3.473 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)COC2CCCCC2)cc1 ZINC000044915634 658931292 /nfs/dbraw/zinc/93/12/92/658931292.db2.gz MOBSFETXMATEES-UHFFFAOYSA-N 0 0 304.434 3.060 20 10 DGCDRN CCC(CC)NC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000056371403 658965822 /nfs/dbraw/zinc/96/58/22/658965822.db2.gz JJNIYYOXBIERQR-UHFFFAOYSA-N 0 0 319.449 3.106 20 10 DGCDRN CC(C)(C)c1n[nH]cc1C=C1SC(NC2CCCC2)=NC1=O ZINC000060529254 659183110 /nfs/dbraw/zinc/18/31/10/659183110.db2.gz FMSQANNPBKDAMG-WQLSENKSSA-N 0 0 318.446 3.210 20 10 DGCDRN C[C@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)c1ccc(F)cc1O ZINC000170789141 659237087 /nfs/dbraw/zinc/23/70/87/659237087.db2.gz NIGUAWNZCTWVJJ-VHSXEESVSA-N 0 0 316.332 3.424 20 10 DGCDRN C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1ccc(NC(N)=O)cc1 ZINC000170789491 659237395 /nfs/dbraw/zinc/23/73/95/659237395.db2.gz ROZCOMNOGGVIFA-GHMZBOCLSA-N 0 0 317.364 3.434 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)NCC3CC3)cc2)CC1 ZINC000170994467 659253180 /nfs/dbraw/zinc/25/31/80/659253180.db2.gz ISZZUELPLYRIKN-UHFFFAOYSA-N 0 0 301.434 3.132 20 10 DGCDRN CCn1cc(N2C(=O)/C(=C\c3ccc(C)o3)SC2=S)cn1 ZINC000171143091 659263298 /nfs/dbraw/zinc/26/32/98/659263298.db2.gz VTOJNQUJVOWGLX-WUXMJOGZSA-N 0 0 319.411 3.210 20 10 DGCDRN CCOc1cccc(CN[C@@H](CC(C)C)C(=O)OC(C)C)c1O ZINC000172015674 659310961 /nfs/dbraw/zinc/31/09/61/659310961.db2.gz AGTVPTPRRNOPQF-HNNXBMFYSA-N 0 0 323.433 3.247 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NC[C@H]2CCCC[C@H]2C)c1 ZINC000172072402 659315217 /nfs/dbraw/zinc/31/52/17/659315217.db2.gz PNSWSNWLGFNOTN-CHWSQXEVSA-N 0 0 306.406 3.026 20 10 DGCDRN CCC[C@@H](C)CS(=O)(=O)NCc1ccc(N2CCCC2)cc1 ZINC000172088787 659316820 /nfs/dbraw/zinc/31/68/20/659316820.db2.gz DQGAORTXOBUSCZ-OAHLLOKOSA-N 0 0 324.490 3.142 20 10 DGCDRN Cc1cc(C(=O)N(C)c2cccnc2)c(C)n1-c1ccccn1 ZINC000172191879 659321852 /nfs/dbraw/zinc/32/18/52/659321852.db2.gz SNUZQFJROKMSNQ-UHFFFAOYSA-N 0 0 306.369 3.161 20 10 DGCDRN Cc1cc(CCNC(=O)c2ccncc2)c(C)n1-c1ccccc1 ZINC000062576719 659334747 /nfs/dbraw/zinc/33/47/47/659334747.db2.gz WJSLKBYIFQJKGE-UHFFFAOYSA-N 0 0 319.408 3.462 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)CC(C)(C)C)C2)cc1 ZINC000062575113 659336682 /nfs/dbraw/zinc/33/66/82/659336682.db2.gz OIMBXBCJYZDOQS-CQSZACIVSA-N 0 0 304.434 3.074 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H](C)CSC)cc1 ZINC000172492026 659339924 /nfs/dbraw/zinc/33/99/24/659339924.db2.gz VNBPBOIAUAYRFA-CYBMUJFWSA-N 0 0 309.479 3.084 20 10 DGCDRN C[C@H]([NH3+])[C@@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000063191304 659370308 /nfs/dbraw/zinc/37/03/08/659370308.db2.gz JOHDIZRBJDHLHW-ZANVPECISA-N 0 0 303.233 3.401 20 10 DGCDRN Cc1nc(C(C)(C)[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])sc1C ZINC000076904213 659373366 /nfs/dbraw/zinc/37/33/66/659373366.db2.gz NZWCNRPICAQGIT-UHFFFAOYSA-N 0 0 321.402 3.399 20 10 DGCDRN C[C@@H]1Cc2ccccc2CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000173217980 659376670 /nfs/dbraw/zinc/37/66/70/659376670.db2.gz WPFGRHHSYURYPW-OAHLLOKOSA-N 0 0 323.440 3.409 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N3CCC(C)(C)C3)ccc21 ZINC000174446575 659434583 /nfs/dbraw/zinc/43/45/83/659434583.db2.gz JEUZVACYBAHGNM-UHFFFAOYSA-N 0 0 301.434 3.011 20 10 DGCDRN FC(F)(F)Oc1ccc2c(c1)CCCN2Cc1nncs1 ZINC000929878043 659699197 /nfs/dbraw/zinc/69/91/97/659699197.db2.gz ORNZXOQBYYKOME-UHFFFAOYSA-N 0 0 315.320 3.390 20 10 DGCDRN COc1ccc(N(C)CCSc2ccncc2)c(OC)c1 ZINC000930077252 659903965 /nfs/dbraw/zinc/90/39/65/659903965.db2.gz PDIQMIKSZHQGHO-UHFFFAOYSA-N 0 0 304.415 3.327 20 10 DGCDRN Nc1ccc(CC(=O)NCCc2ccc3ccccc3c2)cc1 ZINC000237901821 659947603 /nfs/dbraw/zinc/94/76/03/659947603.db2.gz YNCABBFZARIDGY-UHFFFAOYSA-N 0 0 304.393 3.323 20 10 DGCDRN Nc1ccc(CC(=O)NCCc2cccc3ccccc32)cc1 ZINC000237901333 659947804 /nfs/dbraw/zinc/94/78/04/659947804.db2.gz BECLBFKYIJOFLN-UHFFFAOYSA-N 0 0 304.393 3.323 20 10 DGCDRN Nc1ccc(CC(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1 ZINC000237911963 659948813 /nfs/dbraw/zinc/94/88/13/659948813.db2.gz KGMGBBBQOULDPG-OAHLLOKOSA-N 0 0 316.401 3.304 20 10 DGCDRN Oc1ccc(F)cc1C[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000180262103 659957616 /nfs/dbraw/zinc/95/76/16/659957616.db2.gz MHTUJGJGDLNYOM-GOSISDBHSA-N 0 0 315.388 3.365 20 10 DGCDRN CCc1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)s1 ZINC000180657554 659966823 /nfs/dbraw/zinc/96/68/23/659966823.db2.gz IZMQMPWSMCMXSJ-XBXARRHUSA-N 0 0 303.383 3.051 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCc1cc2ccccc2o1 ZINC000180661457 659966937 /nfs/dbraw/zinc/96/69/37/659966937.db2.gz BEEYGILUQCAMLM-SOFGYWHQSA-N 0 0 309.321 3.174 20 10 DGCDRN CCn1c2ccccc2nc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180903060 659973782 /nfs/dbraw/zinc/97/37/82/659973782.db2.gz LOWJLFCTNCZEMT-CSKARUKUSA-N 0 0 323.352 3.119 20 10 DGCDRN CON(Cc1ccccc1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000181297537 659992423 /nfs/dbraw/zinc/99/24/23/659992423.db2.gz OYLVPYVBWZHDSE-UHFFFAOYSA-N 0 0 313.401 3.026 20 10 DGCDRN COCc1cccc(C(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000069950549 660031208 /nfs/dbraw/zinc/03/12/08/660031208.db2.gz VBIZARUPGHXZCQ-UHFFFAOYSA-N 0 0 324.424 3.145 20 10 DGCDRN COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)c1 ZINC000182361053 660045882 /nfs/dbraw/zinc/04/58/82/660045882.db2.gz RPUCGTLPABGKMK-NSHDSACASA-N 0 0 300.333 3.262 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2ccccc2o1 ZINC000183428966 660110482 /nfs/dbraw/zinc/11/04/82/660110482.db2.gz PRWOVICNKWQDJK-LLVKDONJSA-N 0 0 311.337 3.205 20 10 DGCDRN CCCc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000183459185 660115217 /nfs/dbraw/zinc/11/52/17/660115217.db2.gz FADBDOJHJOSJBN-CYBMUJFWSA-N 0 0 313.397 3.411 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CCCOC(C)C)cc1F ZINC000184280483 660161361 /nfs/dbraw/zinc/16/13/61/660161361.db2.gz LNOHVEOREQCBGU-UHFFFAOYSA-N 0 0 324.440 3.493 20 10 DGCDRN COc1cccc(CNC(=O)NC2C[C@H](C)C[C@@H](C)C2)c1O ZINC000074384649 661349225 /nfs/dbraw/zinc/34/92/25/661349225.db2.gz OAXSJPPVFHEHKP-VXGBXAGGSA-N 0 0 306.406 3.025 20 10 DGCDRN CN1CCCc2cc(NC(=O)N3Cc4cccc(O)c4C3)ccc21 ZINC000929964297 661353952 /nfs/dbraw/zinc/35/39/52/661353952.db2.gz NRKFGOFBFHHKTB-UHFFFAOYSA-N 0 0 323.396 3.322 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1coc(C=O)c1 ZINC000930302073 661386841 /nfs/dbraw/zinc/38/68/41/661386841.db2.gz GWCDIIXORBZDGM-UHFFFAOYSA-N 0 0 314.385 3.209 20 10 DGCDRN CC(C)CCn1ccc(NC(=O)N2Cc3cccc(O)c3C2)n1 ZINC000930414574 661396268 /nfs/dbraw/zinc/39/62/68/661396268.db2.gz MTZJIFJLOQTLJM-UHFFFAOYSA-N 0 0 314.389 3.183 20 10 DGCDRN CCCCn1ncc(NC(=O)N2Cc3cccc(O)c3C2)c1C ZINC000930482678 661403044 /nfs/dbraw/zinc/40/30/44/661403044.db2.gz NTKBNWDYJIOEFE-UHFFFAOYSA-N 0 0 314.389 3.245 20 10 DGCDRN COc1cc2c(c(OC)c1)N(Cc1cc(C)nnc1C)CCC2 ZINC000930721349 661424789 /nfs/dbraw/zinc/42/47/89/661424789.db2.gz IACDUMOMKWPRDG-UHFFFAOYSA-N 0 0 313.401 3.063 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2cccn2cn1 ZINC000930905707 661438504 /nfs/dbraw/zinc/43/85/04/661438504.db2.gz LIXWYAFSQJIELG-UHFFFAOYSA-N 0 0 322.412 3.063 20 10 DGCDRN COC1CCN(c2ccc(CN3CC[C@@H]3C(F)F)cc2)CC1 ZINC000931425032 661475344 /nfs/dbraw/zinc/47/53/44/661475344.db2.gz DIMGGCOCJUMUOZ-MRXNPFEDSA-N 0 0 310.388 3.141 20 10 DGCDRN C[C@H]1Cc2cc(NC(=O)N3Cc4cccc(O)c4C3)ccc2O1 ZINC000933132778 661619359 /nfs/dbraw/zinc/61/93/59/661619359.db2.gz KRLLWYLNCSOLGD-NSHDSACASA-N 0 0 310.353 3.263 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[NH2+]C2([C@H]3CCCCO3)CC2)c1[O-] ZINC000933380010 661631441 /nfs/dbraw/zinc/63/14/41/661631441.db2.gz XUXMFJQVLOHPKB-OAHLLOKOSA-N 0 0 323.820 3.440 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)c1 ZINC000934941024 661750161 /nfs/dbraw/zinc/75/01/61/661750161.db2.gz VHPJLROENQHXMX-FQUUOJAGSA-N 0 0 303.402 3.404 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2(OC)CCCCCC2)c1 ZINC000934941368 661750507 /nfs/dbraw/zinc/75/05/07/661750507.db2.gz WXYWEZHHFVCHEZ-CYBMUJFWSA-N 0 0 321.417 3.317 20 10 DGCDRN C[C@H](NC(=O)C[C@@H]1CC[C@H](C2CC2)O1)c1ccc(N(C)C)cc1 ZINC000935462068 661787865 /nfs/dbraw/zinc/78/78/65/661787865.db2.gz CZXVDQNADCKHBT-DOPJRALCSA-N 0 0 316.445 3.278 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)CC1(CC)COC1 ZINC000935855221 661815612 /nfs/dbraw/zinc/81/56/12/661815612.db2.gz MMQRVRSWOVSXQK-UHFFFAOYSA-N 0 0 305.418 3.338 20 10 DGCDRN C[C@]1(C(=O)NCc2cc(Br)ccc2O)C=CCC1 ZINC000935959707 661821358 /nfs/dbraw/zinc/82/13/58/661821358.db2.gz QVMALFDJMMBKED-AWEZNQCLSA-N 0 0 310.191 3.127 20 10 DGCDRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(O)c1O ZINC000040817972 661832523 /nfs/dbraw/zinc/83/25/23/661832523.db2.gz JUSFHTKPBZNYNQ-UHFFFAOYSA-N 0 0 323.352 3.153 20 10 DGCDRN COc1ccc(NC(=O)N(C)Cc2ccccc2O)c(OC)c1 ZINC000047338376 661875198 /nfs/dbraw/zinc/87/51/98/661875198.db2.gz ZMFWULXZERBXPO-UHFFFAOYSA-N 0 0 316.357 3.073 20 10 DGCDRN C[C@@H]1CSc2ccccc2N(C(=O)/C=C/c2cnn(C)c2)C1 ZINC000159668619 661892730 /nfs/dbraw/zinc/89/27/30/661892730.db2.gz DGMXOTJMVMVHRO-GWJCSSMESA-N 0 0 313.426 3.208 20 10 DGCDRN COc1cccc(C[NH2+]Cc2cccc(Br)c2[O-])c1 ZINC000048797180 661895788 /nfs/dbraw/zinc/89/57/88/661895788.db2.gz YDZGYOKHPKJKOX-UHFFFAOYSA-N 0 0 322.202 3.453 20 10 DGCDRN O=C(CCSc1nccs1)Nc1ccccc1[N+](=O)[O-] ZINC000048874148 661896538 /nfs/dbraw/zinc/89/65/38/661896538.db2.gz XLVKCKLKKCZZQQ-UHFFFAOYSA-N 0 0 309.372 3.172 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(F)cc1F ZINC000075159495 661917944 /nfs/dbraw/zinc/91/79/44/661917944.db2.gz MUYBAVPWDWPCCV-UHFFFAOYSA-N 0 0 317.335 3.479 20 10 DGCDRN Cc1cc(C(=O)NCCn2ccnc2)c(C)n1-c1cccc(C)c1 ZINC000075862268 661954169 /nfs/dbraw/zinc/95/41/69/661954169.db2.gz CXOUKZPOIFMAMK-UHFFFAOYSA-N 0 0 322.412 3.029 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)/C=C/c2scnc2C)c1 ZINC000189006391 661958877 /nfs/dbraw/zinc/95/88/77/661958877.db2.gz JAZALMAKLDZMRS-FGEFZZPRSA-N 0 0 318.398 3.056 20 10 DGCDRN CO[C@H]1CCCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000076247595 661975413 /nfs/dbraw/zinc/97/54/13/661975413.db2.gz WFUCMCUYXHHSEP-SFHVURJKSA-N 0 0 312.413 3.345 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2c2ccccc2C)c1 ZINC000077615025 662033964 /nfs/dbraw/zinc/03/39/64/662033964.db2.gz SBKQZEJJFOFCJN-DLBZAZTESA-N 0 0 311.381 3.129 20 10 DGCDRN Cc1ccc(CN(C(=O)CSc2nccs2)C2CC2)o1 ZINC000077651207 662035506 /nfs/dbraw/zinc/03/55/06/662035506.db2.gz PYWGCHQLLBSHTM-UHFFFAOYSA-N 0 0 308.428 3.328 20 10 DGCDRN CCOC1CC(CC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000190726269 662042242 /nfs/dbraw/zinc/04/22/42/662042242.db2.gz AURZKSAUYBJJJU-UHFFFAOYSA-N 0 0 317.429 3.092 20 10 DGCDRN Cc1ccccc1C[C@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000191573326 662072645 /nfs/dbraw/zinc/07/26/45/662072645.db2.gz ZHBRARDJTKXZJG-XJKSGUPXSA-N 0 0 303.377 3.094 20 10 DGCDRN COc1ccccc1C(=O)NCCCSc1nccs1 ZINC000078713593 662082739 /nfs/dbraw/zinc/08/27/39/662082739.db2.gz MHGRRQBRNHHHPY-UHFFFAOYSA-N 0 0 308.428 3.064 20 10 DGCDRN CCOc1cccc([C@@H]2NC(=O)c3c(Cl)cccc3N2)c1O ZINC000078788511 662085009 /nfs/dbraw/zinc/08/50/09/662085009.db2.gz QZPRLPDUWCQTAE-HNNXBMFYSA-N 0 0 318.760 3.298 20 10 DGCDRN COc1cc(C(C)=O)ccc1Sc1ncc([N+](=O)[O-])s1 ZINC000192504948 662101220 /nfs/dbraw/zinc/10/12/20/662101220.db2.gz SMMXCGVJJVQWFX-UHFFFAOYSA-N 0 0 310.356 3.414 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2coc(C3CCC3)n2)c1 ZINC000192790629 662111146 /nfs/dbraw/zinc/11/11/46/662111146.db2.gz WJSRKELSDUCPFP-JTQLQIEISA-N 0 0 316.357 3.147 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CCc2ccncc2)cc1 ZINC000079713243 662119803 /nfs/dbraw/zinc/11/98/03/662119803.db2.gz HLZXYCPOMNPYEL-UHFFFAOYSA-N 0 0 311.429 3.177 20 10 DGCDRN CCN(CC)c1ccc(CNc2cc(Cl)nc(N)n2)cc1 ZINC000079942792 662125474 /nfs/dbraw/zinc/12/54/74/662125474.db2.gz RTBBNSRSYDYUON-UHFFFAOYSA-N 0 0 305.813 3.171 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)OCC(F)(F)F)cc1 ZINC000194240840 662161384 /nfs/dbraw/zinc/16/13/84/662161384.db2.gz JZZFJYOXDXHJPM-UHFFFAOYSA-N 0 0 304.312 3.321 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2csc(C3CC3)n2)cc1 ZINC000194792774 662173933 /nfs/dbraw/zinc/17/39/33/662173933.db2.gz POLRKRIQZXFNGU-UHFFFAOYSA-N 0 0 301.415 3.017 20 10 DGCDRN CO[C@H](C)CC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000195446227 662189708 /nfs/dbraw/zinc/18/97/08/662189708.db2.gz OLVQNLSOFVBFDP-OAHLLOKOSA-N 0 0 318.461 3.497 20 10 DGCDRN CCC[C@@H](CC)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000195737472 662193337 /nfs/dbraw/zinc/19/33/37/662193337.db2.gz QYAQFVKLMIOSLS-MRXNPFEDSA-N 0 0 303.450 3.447 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)C2CCC(F)(F)CC2)c1 ZINC000089487134 662244087 /nfs/dbraw/zinc/24/40/87/662244087.db2.gz QEKNRUZXXOFEHG-JTQLQIEISA-N 0 0 313.344 3.404 20 10 DGCDRN CN1CCCc2cc(CNCc3ncc(Cl)s3)ccc21 ZINC000719445076 662288485 /nfs/dbraw/zinc/28/84/85/662288485.db2.gz YOVDLCGKNHNICE-UHFFFAOYSA-N 0 0 307.850 3.469 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1Cc2ccccc2O1 ZINC000248084589 662333581 /nfs/dbraw/zinc/33/35/81/662333581.db2.gz DKBMBNLLUPQSFQ-IBGZPJMESA-N 0 0 324.424 3.105 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCCc3ccccc32)cc1 ZINC000248074423 662333594 /nfs/dbraw/zinc/33/35/94/662333594.db2.gz BPVQTQNHQHJLEG-LJQANCHMSA-N 0 0 308.425 3.489 20 10 DGCDRN Cc1cc(NC(=O)c2sccc2-n2c(C)ccc2C)n(C)n1 ZINC000056081204 685049249 /nfs/dbraw/zinc/04/92/49/685049249.db2.gz YWPDBWBQAZLHLA-UHFFFAOYSA-N 0 0 314.414 3.450 20 10 DGCDRN CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nccs2)cc1 ZINC000133231027 685068170 /nfs/dbraw/zinc/06/81/70/685068170.db2.gz UIINVXWXNCSPFI-SECBINFHSA-N 0 0 306.412 3.465 20 10 DGCDRN CN(C)c1ccc(CNc2ncnc3c2CCCC3)cc1F ZINC000152327584 685094835 /nfs/dbraw/zinc/09/48/35/685094835.db2.gz PKTYWLJTCWNJHW-UHFFFAOYSA-N 0 0 300.381 3.173 20 10 DGCDRN CC1(C)C[C@@H]([NH2+]Cc2cccc(Br)c2[O-])CCO1 ZINC000160515985 685099729 /nfs/dbraw/zinc/09/97/29/685099729.db2.gz AMNLFGXXRQLOJI-NSHDSACASA-N 0 0 314.223 3.202 20 10 DGCDRN C[C@@H](C(=O)N(C)Cc1ccccc1O)c1cccc([N+](=O)[O-])c1 ZINC000383904490 685169710 /nfs/dbraw/zinc/16/97/10/685169710.db2.gz DDIOZXUGLOJYAJ-GFCCVEGCSA-N 0 0 314.341 3.063 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CCOCC23CCCC3)c1O ZINC000388683182 685190359 /nfs/dbraw/zinc/19/03/59/685190359.db2.gz JDNUCNACGKCDHY-UHFFFAOYSA-N 0 0 323.820 3.393 20 10 DGCDRN C[C@@H]1C[C@H](C[NH2+]Cc2cccc(Br)c2[O-])CCO1 ZINC000388683369 685190815 /nfs/dbraw/zinc/19/08/15/685190815.db2.gz ISFRGNWGMVMELF-GHMZBOCLSA-N 0 0 314.223 3.059 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCN1CC=CCC1 ZINC000392240692 685213541 /nfs/dbraw/zinc/21/35/41/685213541.db2.gz NBGFUTPFNSCJDU-UHFFFAOYSA-N 0 0 301.217 3.051 20 10 DGCDRN CCOCC(C)(C)C[NH2+]Cc1cccc(Br)c1[O-] ZINC000394047084 685221149 /nfs/dbraw/zinc/22/11/49/685221149.db2.gz KIQKPQCQKCMKBQ-UHFFFAOYSA-N 0 0 316.239 3.307 20 10 DGCDRN C[C@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1[O-] ZINC000397773037 685231618 /nfs/dbraw/zinc/23/16/18/685231618.db2.gz VZNSGOUIQUBDIP-NSHDSACASA-N 0 0 324.396 3.049 20 10 DGCDRN C[C@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2[O-])CS1 ZINC000397957504 685234338 /nfs/dbraw/zinc/23/43/38/685234338.db2.gz ZVAHSWBVYLVEAB-WCBMZHEXSA-N 0 0 302.237 3.138 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCOC(F)(F)F ZINC000398216383 685236694 /nfs/dbraw/zinc/23/66/94/685236694.db2.gz LMUACHXZCKRBEN-UHFFFAOYSA-N 0 0 304.095 3.325 20 10 DGCDRN Cc1ncc2c(n1)CCC[C@H]2[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001620788112 1191966587 /nfs/dbraw/zinc/96/65/87/1191966587.db2.gz WXJUSPVNMQEQEY-CQSZACIVSA-N 0 0 321.783 3.450 20 10 DGCDRN CSc1cc(NCCc2ccc(N)cc2)nc(SC)n1 ZINC001579387511 1191975206 /nfs/dbraw/zinc/97/52/06/1191975206.db2.gz CPZIQHXRWCSRNE-UHFFFAOYSA-N 0 0 306.460 3.157 20 10 DGCDRN Nc1ccc(CNC(=O)[C@@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)cc1 ZINC001580443617 1192027010 /nfs/dbraw/zinc/02/70/10/1192027010.db2.gz SWUIMDCYTUCILU-CHWSQXEVSA-N 0 0 320.314 3.106 20 10 DGCDRN Nc1ccc(CCNC(=O)CO[C@@H]2CCCc3ccccc32)cc1 ZINC001580443418 1192027314 /nfs/dbraw/zinc/02/73/14/1192027314.db2.gz CXQIXJFYRSOIFH-LJQANCHMSA-N 0 0 324.424 3.022 20 10 DGCDRN Nc1ccc(OC(=O)CCc2ccc3c(c2)OC(F)(F)O3)cc1 ZINC001580449423 1192027476 /nfs/dbraw/zinc/02/74/76/1192027476.db2.gz KSSRZKHNUUGUDO-UHFFFAOYSA-N 0 0 321.279 3.129 20 10 DGCDRN CSc1ccncc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001587466176 1192101403 /nfs/dbraw/zinc/10/14/03/1192101403.db2.gz DIJYRQPTLINIPH-UHFFFAOYSA-N 0 0 315.358 3.218 20 10 DGCDRN O=C(Nc1c(F)cccc1N1CCCC1)c1cccc(O)c1O ZINC001584891879 1192228522 /nfs/dbraw/zinc/22/85/22/1192228522.db2.gz AFTVJNQGDXSABP-UHFFFAOYSA-N 0 0 316.332 3.089 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC001584977008 1192234144 /nfs/dbraw/zinc/23/41/44/1192234144.db2.gz FKSCRXFWROSUEP-UHFFFAOYSA-N 0 0 320.732 3.192 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)C[C@@H](O)c2ccc(Cl)cc2)c1 ZINC001584983131 1192234826 /nfs/dbraw/zinc/23/48/26/1192234826.db2.gz FJSKLQMAKIAOCA-MRXNPFEDSA-N 0 0 319.788 3.094 20 10 DGCDRN COC(=O)c1ccc(NC(=O)C2=CC(=O)CS2)cc1Cl ZINC001586229392 1192317191 /nfs/dbraw/zinc/31/71/91/1192317191.db2.gz IOPKPGIWQYCZBC-UHFFFAOYSA-N 0 0 311.746 3.146 20 10 DGCDRN O=C(N[C@H]1C[C@H](Sc2ccccc2)C1)c1cccc(O)c1O ZINC001586372958 1192325943 /nfs/dbraw/zinc/32/59/43/1192325943.db2.gz HHZYBROSFDFWNA-AULYBMBSSA-N 0 0 315.394 3.151 20 10 DGCDRN Cc1[nH]c2ccc(F)cc2c1CCNC(=O)C1=CC(=O)CS1 ZINC001586868360 1192354854 /nfs/dbraw/zinc/35/48/54/1192354854.db2.gz PZTXWOVSVRSCEI-UHFFFAOYSA-N 0 0 318.373 3.355 20 10 DGCDRN COc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1C ZINC001587405607 1192398824 /nfs/dbraw/zinc/39/88/24/1192398824.db2.gz WIRLQMDVTKUEJC-UHFFFAOYSA-N 0 0 312.413 3.342 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](CF)c1ccc(F)cc1 ZINC001587751761 1192416783 /nfs/dbraw/zinc/41/67/83/1192416783.db2.gz FWVJOUCZEWTDFJ-OLUUIJGHSA-N 0 0 319.307 3.077 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cc(C(F)(F)F)ccc1N ZINC001588156256 1192435866 /nfs/dbraw/zinc/43/58/66/1192435866.db2.gz RPFGTHCJSZYXBQ-UHFFFAOYSA-N 0 0 324.302 3.265 20 10 DGCDRN Oc1c(F)cc(Cl)cc1CNc1ccc(-n2cncn2)cc1 ZINC001620842886 1192445336 /nfs/dbraw/zinc/44/53/36/1192445336.db2.gz XSIKHTPFOXUHAO-UHFFFAOYSA-N 0 0 318.739 3.378 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1[O-])c1ccsc1 ZINC001589952367 1192478462 /nfs/dbraw/zinc/47/84/62/1192478462.db2.gz NNQAIDJNEPMGTL-ZJUUUORDSA-N 0 0 315.402 3.046 20 10 DGCDRN Oc1c(F)cc(F)cc1CNc1ccc(OC(F)F)nc1 ZINC001620913088 1192592898 /nfs/dbraw/zinc/59/28/98/1192592898.db2.gz SZCNWGVXGNLGFW-UHFFFAOYSA-N 0 0 302.227 3.279 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1ccc(C(F)(F)F)s1 ZINC001593739198 1192640308 /nfs/dbraw/zinc/64/03/08/1192640308.db2.gz JILQQGXWFXKYJS-UHFFFAOYSA-N 0 0 317.288 3.108 20 10 DGCDRN O=C(CCSc1ccccc1F)NCc1cc(O)ccc1O ZINC001593873740 1192640821 /nfs/dbraw/zinc/64/08/21/1192640821.db2.gz ZDISCISODIWEDD-UHFFFAOYSA-N 0 0 321.373 3.036 20 10 DGCDRN Cc1cc(CC(=O)N2CC[C@@H](CF)C2)c(C)n1-c1ccccc1 ZINC001596419806 1192692541 /nfs/dbraw/zinc/69/25/41/1192692541.db2.gz STJBHHOLZYSWJM-INIZCTEOSA-N 0 0 314.404 3.455 20 10 DGCDRN Cc1cc(CNC(=O)c2cncnc2C)c(C)n1-c1ccccc1 ZINC001596481851 1192694550 /nfs/dbraw/zinc/69/45/50/1192694550.db2.gz IAEPCFXGZIANEC-UHFFFAOYSA-N 0 0 320.396 3.123 20 10 DGCDRN O=C(CCCc1ccc(O)c(F)c1)NCc1c(O)cccc1F ZINC001596911680 1192710519 /nfs/dbraw/zinc/71/05/19/1192710519.db2.gz IXJKWOFIPFDOJE-UHFFFAOYSA-N 0 0 321.323 3.015 20 10 DGCDRN Cc1nnc(N(C)Cc2ccccc2O)n1CC1=CCCCC1 ZINC001707861736 1176014351 /nfs/dbraw/zinc/01/43/51/1176014351.db2.gz UCHFZIODSARTGN-UHFFFAOYSA-N 0 0 312.417 3.429 20 10 DGCDRN Cc1ccc(C(=O)NCc2c(O)cccc2O)c(Cl)c1C ZINC001597573782 1192738672 /nfs/dbraw/zinc/73/86/72/1192738672.db2.gz GJARALHICOGKRR-UHFFFAOYSA-N 0 0 305.761 3.298 20 10 DGCDRN C[C@H](C(=O)NCc1c(O)cccc1O)c1ccc(Cl)s1 ZINC001597574953 1192739062 /nfs/dbraw/zinc/73/90/62/1192739062.db2.gz WCSIXQNMHIKZCY-QMMMGPOBSA-N 0 0 311.790 3.233 20 10 DGCDRN C[C@H](Oc1cccnc1)C(=O)NCc1c(O)ccc2ccccc21 ZINC001597736938 1192744568 /nfs/dbraw/zinc/74/45/68/1192744568.db2.gz PIGNZPDYTGBYNP-ZDUSSCGKSA-N 0 0 322.364 3.024 20 10 DGCDRN CC(C)(C)n1ccc(C(=O)NCc2c(O)ccc3ccccc32)n1 ZINC001597743179 1192745277 /nfs/dbraw/zinc/74/52/77/1192745277.db2.gz XTIGAIFEVUJUQQ-UHFFFAOYSA-N 0 0 323.396 3.427 20 10 DGCDRN C[C@@H](Oc1ccccn1)C(=O)NCc1c(O)ccc2ccccc21 ZINC001597742496 1192745364 /nfs/dbraw/zinc/74/53/64/1192745364.db2.gz MBUZQKVAGXRUHV-CYBMUJFWSA-N 0 0 322.364 3.024 20 10 DGCDRN C[C@H](C(=O)NCc1c(O)ccc2ccccc21)c1ccncc1 ZINC001597743284 1192745487 /nfs/dbraw/zinc/74/54/87/1192745487.db2.gz ZOUIUXVTZYAZIO-ZDUSSCGKSA-N 0 0 306.365 3.360 20 10 DGCDRN CC(C)c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1C[C@H]1C ZINC001598420787 1192773546 /nfs/dbraw/zinc/77/35/46/1192773546.db2.gz YEZJIOBYYGNMGD-UKRRQHHQSA-N 0 0 314.433 3.400 20 10 DGCDRN Cc1cc([C@@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)c(C)o1 ZINC000588404592 1177220217 /nfs/dbraw/zinc/22/02/17/1177220217.db2.gz DGPAWKHTPNBZKL-JPVGGKMYSA-N 0 0 301.342 3.198 20 10 DGCDRN CCc1csc(NC(=O)NCc2cccc(Cl)c2O)n1 ZINC001670857833 1177304263 /nfs/dbraw/zinc/30/42/63/1177304263.db2.gz AJSGLGOXAQVHDM-UHFFFAOYSA-N 0 0 311.794 3.386 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1ccoc1C(=O)[O-] ZINC001600237027 1192816843 /nfs/dbraw/zinc/81/68/43/1192816843.db2.gz QTBXXTUNUDCYBB-ZDUSSCGKSA-N 0 0 316.401 3.073 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1cncc(C(=O)[O-])c1 ZINC001600236011 1192817417 /nfs/dbraw/zinc/81/74/17/1192817417.db2.gz FEIJNJXQRNVTIW-ZDUSSCGKSA-N 0 0 313.401 3.005 20 10 DGCDRN Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2CC(=O)[O-])c(O)c1C ZINC001600374555 1192839068 /nfs/dbraw/zinc/83/90/68/1192839068.db2.gz ZYYYRZVJUCVYKL-CQSZACIVSA-N 0 0 313.397 3.487 20 10 DGCDRN CO[C@@H]1CCC[C@H](C(=O)Nc2c3nonc3ccc2Cl)C1 ZINC001331138118 1178142028 /nfs/dbraw/zinc/14/20/28/1178142028.db2.gz GPYYETJAODNBFU-DTWKUNHWSA-N 0 0 309.753 3.020 20 10 DGCDRN Cc1cccc(C[NH2+][C@@H](C)[C@H](Cc2ccccc2)C(=O)[O-])c1O ZINC001600532645 1192868585 /nfs/dbraw/zinc/86/85/85/1192868585.db2.gz XNASOUTWKKAUJR-YOEHRIQHSA-N 0 0 313.397 3.122 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)c1cccc3c1CCN3)CCC2 ZINC001342251638 1179122417 /nfs/dbraw/zinc/12/24/17/1179122417.db2.gz SLAADMSMPQZCKK-UHFFFAOYSA-N 0 0 308.381 3.256 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N(C)Cc1ccsc1 ZINC001342571107 1179154963 /nfs/dbraw/zinc/15/49/63/1179154963.db2.gz WJPPPZGCGIQSFF-UHFFFAOYSA-N 0 0 320.443 3.430 20 10 DGCDRN O=C([O-])C[N@H+](Cc1ccccc1)Cc1cc(Cl)c(F)cc1[O-] ZINC001602060001 1192957151 /nfs/dbraw/zinc/95/71/51/1192957151.db2.gz CXQPTPRVCQQGAU-UHFFFAOYSA-N 0 0 323.751 3.272 20 10 DGCDRN Cn1c2ccc(OC(=O)[C@@]3(F)CCOC3)cc2c2c1CCCC2 ZINC001344837624 1179484138 /nfs/dbraw/zinc/48/41/38/1179484138.db2.gz TZSZSRZHGQQZRK-GOSISDBHSA-N 0 0 317.360 3.091 20 10 DGCDRN O=C([O-])[C@]12C[C@H]1C[C@H]([NH2+]Cc1cc(-c3ccccc3)ccc1O)C2 ZINC001602208057 1192962364 /nfs/dbraw/zinc/96/23/64/1192962364.db2.gz RXWDWTYLIAFDLJ-UWVAXJGDSA-N 0 0 323.392 3.402 20 10 DGCDRN CC[C@@H]1CCN(c2nnc(C3SC=CC3=O)n2CC2CC2)C1 ZINC001345816086 1179609947 /nfs/dbraw/zinc/60/99/47/1179609947.db2.gz GQQLXJJEQQNSEL-LLVKDONJSA-N 0 0 318.446 3.359 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CCc1cccc(O)c1 ZINC001345965147 1179631008 /nfs/dbraw/zinc/63/10/08/1179631008.db2.gz SUQXJJFHJWGELK-UHFFFAOYSA-N 0 0 312.413 3.016 20 10 DGCDRN O=C([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CCC2 ZINC001602411758 1192977528 /nfs/dbraw/zinc/97/75/28/1192977528.db2.gz DPPJVRAJCVLGTD-SFHVURJKSA-N 0 0 323.392 3.487 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NC[C@@H]1C[C@H]1Cc1ccccc1 ZINC001346955086 1179764004 /nfs/dbraw/zinc/76/40/04/1179764004.db2.gz WNKXMUSOPBQNDJ-MSOLQXFVSA-N 0 0 324.424 3.412 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1cc(C2CC2)oc1C1CC1 ZINC001347233992 1179786195 /nfs/dbraw/zinc/78/61/95/1179786195.db2.gz LPJDMZFQLHXLTJ-UHFFFAOYSA-N 0 0 313.353 3.376 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1oc(C2CC2)nc1C(F)F ZINC001348116885 1179828753 /nfs/dbraw/zinc/82/87/53/1179828753.db2.gz SZNTZXVXCGIHEE-UHFFFAOYSA-N 0 0 322.311 3.467 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCC[C@@H](F)C1 ZINC001348976928 1179860579 /nfs/dbraw/zinc/86/05/79/1179860579.db2.gz CICAMTFGIITISI-UONOGXRCSA-N 0 0 305.393 3.416 20 10 DGCDRN CC12C[C@H]3C[C@@H](C1)CC(C(=O)NCc1cccc(O)c1O)(C3)C2 ZINC001349076922 1179871327 /nfs/dbraw/zinc/87/13/27/1179871327.db2.gz AKFRQXGOQRYERV-NFAYLAGKSA-N 0 0 315.413 3.321 20 10 DGCDRN Cc1ccc(CCCC(=O)NCc2cccc(O)c2O)s1 ZINC001349079598 1179873060 /nfs/dbraw/zinc/87/30/60/1179873060.db2.gz NTUABMAPYZDGOE-UHFFFAOYSA-N 0 0 305.399 3.107 20 10 DGCDRN CCC[C@@H](OCC)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001349117534 1179875092 /nfs/dbraw/zinc/87/50/92/1179875092.db2.gz KNQIZWMNKBQKAO-GOSISDBHSA-N 0 0 318.461 3.450 20 10 DGCDRN O=C(NCCOC1CCCCCC1)N1Cc2cccc(O)c2C1 ZINC001349335404 1179895781 /nfs/dbraw/zinc/89/57/81/1179895781.db2.gz WECWMGSKYJSQFR-UHFFFAOYSA-N 0 0 318.417 3.157 20 10 DGCDRN Oc1ccccc1CNc1cc(Cl)nc([C@H]2CCCO2)n1 ZINC001349970027 1179988094 /nfs/dbraw/zinc/98/80/94/1179988094.db2.gz NYLIBXXQGXBTHY-GFCCVEGCSA-N 0 0 305.765 3.299 20 10 DGCDRN Cc1nc(C(C)(C)C)sc1C(=O)NCc1cccc(O)c1O ZINC001350300666 1180048905 /nfs/dbraw/zinc/04/89/05/1180048905.db2.gz WLAHMWMVONKCBM-UHFFFAOYSA-N 0 0 320.414 3.090 20 10 DGCDRN CC(C)(C)c1cnc(Sc2ccnc(-c3nn[nH]n3)c2)s1 ZINC001603120659 1193008683 /nfs/dbraw/zinc/00/86/83/1193008683.db2.gz KKIUVFJCEDVUPZ-UHFFFAOYSA-N 0 0 318.431 3.167 20 10 DGCDRN COCn1ncc(C)c1CN(C)c1ccc(OC)c(Cl)c1 ZINC001352016980 1180280387 /nfs/dbraw/zinc/28/03/87/1180280387.db2.gz RIRPUOWSUGCVDU-UHFFFAOYSA-N 0 0 309.797 3.094 20 10 DGCDRN CC1(C)[C@@H]2CC[C@@]1(C(=O)NCc1cc(Cl)ccc1O)C(=O)C2 ZINC001352325153 1180320022 /nfs/dbraw/zinc/32/00/22/1180320022.db2.gz LRCJKAHGMYTIFQ-DIFFPNOSSA-N 0 0 321.804 3.057 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]CC1(c2ccccn2)CCC1 ZINC001621319059 1193023672 /nfs/dbraw/zinc/02/36/72/1193023672.db2.gz VROBUKFOVWCYDP-UHFFFAOYSA-N 0 0 304.340 3.277 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NCCC(F)F)cc1F ZINC001353288959 1180519131 /nfs/dbraw/zinc/51/91/31/1180519131.db2.gz CNJBQUKKAHBYER-UHFFFAOYSA-N 0 0 317.355 3.126 20 10 DGCDRN CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)NCc1ccc(N)cc1 ZINC001353443238 1180560298 /nfs/dbraw/zinc/56/02/98/1180560298.db2.gz SAIRMQPFYFKCPC-IRXDYDNUSA-N 0 0 309.413 3.260 20 10 DGCDRN Cc1cc(C)c(C(=O)NCc2cc(Cl)ccc2O)cc1C=O ZINC001300396376 1180638703 /nfs/dbraw/zinc/63/87/03/1180638703.db2.gz PXOCUSMYJXMJMZ-UHFFFAOYSA-N 0 0 317.772 3.405 20 10 DGCDRN O=C(C[C@H]1OCc2ccccc21)NCc1cc(Cl)ccc1O ZINC001300395910 1180639473 /nfs/dbraw/zinc/63/94/73/1180639473.db2.gz HATKZWQDSSLXRB-MRXNPFEDSA-N 0 0 317.772 3.323 20 10 DGCDRN CCO[C@@H](C(=O)NCc1cc(Cl)ccc1O)c1ccccc1 ZINC001300402272 1180643863 /nfs/dbraw/zinc/64/38/63/1180643863.db2.gz XQVDPNUZDVUISP-MRXNPFEDSA-N 0 0 319.788 3.440 20 10 DGCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H]1C(F)F ZINC001353941205 1180689946 /nfs/dbraw/zinc/68/99/46/1180689946.db2.gz BTOXHRZSQKIJBN-QMMMGPOBSA-N 0 0 313.325 3.182 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=S)NC1CC1 ZINC001200640425 1180777432 /nfs/dbraw/zinc/77/74/32/1180777432.db2.gz HESFBQXKIRSKSC-HNNXBMFYSA-N 0 0 304.459 3.259 20 10 DGCDRN CN(Cc1ccccc1O)C(=S)Nc1cc(F)cc(F)c1 ZINC001200666621 1180796689 /nfs/dbraw/zinc/79/66/89/1180796689.db2.gz JVUUEIPBEFHOQC-UHFFFAOYSA-N 0 0 308.353 3.499 20 10 DGCDRN C[C@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)CC(F)(F)F ZINC001604184178 1193058632 /nfs/dbraw/zinc/05/86/32/1193058632.db2.gz HTBMFJNLTKKYHV-IUCAKERBSA-N 0 0 305.296 3.330 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]Cc2cccc(Cl)c2F)c1 ZINC001200829911 1180947385 /nfs/dbraw/zinc/94/73/85/1180947385.db2.gz FLGYHDKLHVNLNQ-UHFFFAOYSA-N 0 0 310.712 3.383 20 10 DGCDRN COc1ccc([C@@H](NC(=O)Cc2ccc(N)cc2)C2CCC2)cc1 ZINC001355144423 1180996198 /nfs/dbraw/zinc/99/61/98/1180996198.db2.gz ASIKQSPQSJFGDO-FQEVSTJZSA-N 0 0 324.424 3.478 20 10 DGCDRN Cn1c(C2SC=CC2=O)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001355343851 1181040863 /nfs/dbraw/zinc/04/08/63/1181040863.db2.gz FCTMPIHKVKRVRW-UHFFFAOYSA-N 0 0 318.446 3.432 20 10 DGCDRN CC(C)Cc1ncc(C(=O)NCc2ccc(N(C)C)cc2)s1 ZINC001355879266 1181108987 /nfs/dbraw/zinc/10/89/87/1181108987.db2.gz SUMKJDJWCJEASP-UHFFFAOYSA-N 0 0 317.458 3.338 20 10 DGCDRN COC(=O)c1cnc(SCc2cccc([N+](=O)[O-])c2C)s1 ZINC001473035863 1181196915 /nfs/dbraw/zinc/19/69/15/1181196915.db2.gz WTYNCXVAUZKRPV-UHFFFAOYSA-N 0 0 324.383 3.439 20 10 DGCDRN C[C@@H]1C[C@@H](C)[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C1 ZINC001604664190 1193086919 /nfs/dbraw/zinc/08/69/19/1193086919.db2.gz DOMYCHVJFGQPCC-GHMZBOCLSA-N 0 0 304.365 3.246 20 10 DGCDRN CC1(C)CN(C(=O)NCc2ccc(N)cc2)c2cc(F)ccc21 ZINC001357792423 1181428024 /nfs/dbraw/zinc/42/80/24/1181428024.db2.gz XIABGMVCXRCOCC-UHFFFAOYSA-N 0 0 313.376 3.415 20 10 DGCDRN CC[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001604983771 1193103997 /nfs/dbraw/zinc/10/39/97/1193103997.db2.gz MVZUOTGZAKAFKF-WPRPVWTQSA-N 0 0 305.296 3.472 20 10 DGCDRN CCOCCC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001438309801 1181966788 /nfs/dbraw/zinc/96/67/88/1181966788.db2.gz FJPLQYPOAIUVFI-UHFFFAOYSA-N 0 0 314.429 3.445 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H]2c2ccccc2)cc1 ZINC001441395005 1182062721 /nfs/dbraw/zinc/06/27/21/1182062721.db2.gz BGAXABPBRFITJG-OAHLLOKOSA-N 0 0 308.341 3.436 20 10 DGCDRN O=C(Nc1ccc(F)cn1)c1cc2cc(O)c(O)cc2s1 ZINC001441801058 1182069517 /nfs/dbraw/zinc/06/95/17/1182069517.db2.gz RJENLBHNEZVETN-UHFFFAOYSA-N 0 0 304.302 3.099 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(F)c(O)c1 ZINC001442339937 1182080682 /nfs/dbraw/zinc/08/06/82/1182080682.db2.gz CMSFBBSHDXHQKR-UHFFFAOYSA-N 0 0 316.376 3.260 20 10 DGCDRN CCC[N@H+](Cc1ccccc1O)[C@H](C(=O)[O-])c1ccsc1 ZINC001605320955 1193142971 /nfs/dbraw/zinc/14/29/71/1193142971.db2.gz XDBBXFXQOMEZSX-HNNXBMFYSA-N 0 0 305.399 3.492 20 10 DGCDRN CC(C)C(=O)Nc1ccc(OC(=O)C2=CC(=O)CS2)cc1 ZINC001445944721 1182157404 /nfs/dbraw/zinc/15/74/04/1182157404.db2.gz HZMJBARAFROWJA-UHFFFAOYSA-N 0 0 305.355 3.267 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C(C)=C\c2ccccn2)c1 ZINC001445971229 1182158917 /nfs/dbraw/zinc/15/89/17/1182158917.db2.gz ULDSCMFVZAYXMD-KXXVWKPMSA-N 0 0 312.369 3.077 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc2ccccc2c1 ZINC001447563157 1182192594 /nfs/dbraw/zinc/19/25/94/1182192594.db2.gz MGOLRGACYHXTEA-GFCCVEGCSA-N 0 0 322.364 3.007 20 10 DGCDRN CCn1ccnc1NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001451285022 1182266563 /nfs/dbraw/zinc/26/65/63/1182266563.db2.gz ZWXVORMGCCIWEG-UHFFFAOYSA-N 0 0 322.412 3.492 20 10 DGCDRN COc1cccc(CCC(=O)NCc2cc(Cl)ccc2O)c1 ZINC001452948765 1182305596 /nfs/dbraw/zinc/30/55/96/1182305596.db2.gz ZKUJERZBYLEQKH-UHFFFAOYSA-N 0 0 319.788 3.303 20 10 DGCDRN O=C(NCC(F)(F)c1cccc(F)c1)C1=CC(=O)CS1 ZINC001452989601 1182306716 /nfs/dbraw/zinc/30/67/16/1182306716.db2.gz SSLXWGOHVPWICX-UHFFFAOYSA-N 0 0 301.289 3.115 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC(OC(C)C)C2)cc1 ZINC001454312914 1182335995 /nfs/dbraw/zinc/33/59/95/1182335995.db2.gz RVWKTGGEAOUNPC-UHFFFAOYSA-N 0 0 312.413 3.344 20 10 DGCDRN Cc1cc(CNC(=O)[C@@H](O)C(C)(C)C)c(C)n1-c1ccccc1 ZINC001454627033 1182349032 /nfs/dbraw/zinc/34/90/32/1182349032.db2.gz SHUKXGNHCASIMM-QGZVFWFLSA-N 0 0 314.429 3.117 20 10 DGCDRN C[C@H](NC(=O)c1ccn(Cc2ccccc2)n1)c1ccccc1O ZINC001454812714 1182353713 /nfs/dbraw/zinc/35/37/13/1182353713.db2.gz BUXWYIFDFIZSJM-AWEZNQCLSA-N 0 0 321.380 3.128 20 10 DGCDRN C[C@@H](Cc1cccc(Cl)c1)C(=O)NCc1cc(O)ccc1O ZINC001455357948 1182367551 /nfs/dbraw/zinc/36/75/51/1182367551.db2.gz YLDKQUGGBHDAJH-NSHDSACASA-N 0 0 319.788 3.246 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cccc(OC(F)F)c1 ZINC001456086737 1182396429 /nfs/dbraw/zinc/39/64/29/1182396429.db2.gz HEFQOKWCFYRYAH-UHFFFAOYSA-N 0 0 311.259 3.063 20 10 DGCDRN CCCn1c(C(=O)NCc2c(O)cccc2O)cc2ccccc21 ZINC001456234156 1182407466 /nfs/dbraw/zinc/40/74/66/1182407466.db2.gz HWJMBAADNFWUNH-UHFFFAOYSA-N 0 0 324.380 3.393 20 10 DGCDRN Cc1ncccc1/C=C/C(=O)N(C)c1cccnc1N1CCCC1 ZINC001457362902 1182458878 /nfs/dbraw/zinc/45/88/78/1182458878.db2.gz AYSMBGGJLSKGRJ-MDZDMXLPSA-N 0 0 322.412 3.061 20 10 DGCDRN O=C(c1c(F)ccc(O)c1O)N1CC[C@H](c2ccccc2F)C1 ZINC001457832975 1182483671 /nfs/dbraw/zinc/48/36/71/1182483671.db2.gz JFYZSOBJWFTCQK-JTQLQIEISA-N 0 0 319.307 3.006 20 10 DGCDRN CN(C)c1ccc(CN(C)c2ncnc(-c3ccccc3)n2)cc1 ZINC001458070915 1182494426 /nfs/dbraw/zinc/49/44/26/1182494426.db2.gz OGRMOZHJHOBUMM-UHFFFAOYSA-N 0 0 319.412 3.241 20 10 DGCDRN CCc1c[nH]c2ncnc(NCc3ccc4c(c3)CCCN4C)c12 ZINC001458133906 1182499177 /nfs/dbraw/zinc/49/91/77/1182499177.db2.gz WHRZZHCSGDWEQD-UHFFFAOYSA-N 0 0 321.428 3.466 20 10 DGCDRN CCOc1cccc(C[N@H+](C)[C@H](C(=O)[O-])c2ccccc2)c1O ZINC001605705464 1193166098 /nfs/dbraw/zinc/16/60/98/1193166098.db2.gz WJODMVNQJXRMFD-INIZCTEOSA-N 0 0 315.369 3.049 20 10 DGCDRN C/C(=C\C(=O)N(C)c1ccc(F)c(Cl)c1)c1cnccn1 ZINC001458394226 1182521075 /nfs/dbraw/zinc/52/10/75/1182521075.db2.gz FMFZHLCBTYPLRI-JXMROGBWSA-N 0 0 305.740 3.335 20 10 DGCDRN COC(=O)c1cc(OCc2sc(C)nc2C)ccc1N(C)C ZINC001459235426 1182575802 /nfs/dbraw/zinc/57/58/02/1182575802.db2.gz JJKDEZHAVBXDDK-UHFFFAOYSA-N 0 0 320.414 3.192 20 10 DGCDRN COc1ccc(N(CCNC(=O)NC(C)C)CCC(C)C)cc1 ZINC001460057981 1182646064 /nfs/dbraw/zinc/64/60/64/1182646064.db2.gz ZYIJODNFGOBRRS-UHFFFAOYSA-N 0 0 321.465 3.255 20 10 DGCDRN COc1cc2c(c(OC)c1)N(CCOCC1CCC1)CCC2 ZINC001460251681 1182667712 /nfs/dbraw/zinc/66/77/12/1182667712.db2.gz NFOSGZZTGNFVRF-UHFFFAOYSA-N 0 0 305.418 3.273 20 10 DGCDRN CCc1cccc(C[NH2+][C@@](C)(C(=O)[O-])c2ccc(F)cc2)c1O ZINC001605828803 1193176961 /nfs/dbraw/zinc/17/69/61/1193176961.db2.gz NLNHKDOKKMSYAH-GOSISDBHSA-N 0 0 317.360 3.183 20 10 DGCDRN Cc1ccc(NC/C=C\c2ccc(N(C)C)cc2)cc1C(N)=O ZINC001461317593 1182795108 /nfs/dbraw/zinc/79/51/08/1182795108.db2.gz QMFDQCSAFVWEKF-PLNGDYQASA-N 0 0 309.413 3.285 20 10 DGCDRN Cc1nocc1NCc1cc(Br)cc(F)c1O ZINC001461731074 1182847402 /nfs/dbraw/zinc/84/74/02/1182847402.db2.gz QFAYMOSYLATCQJ-UHFFFAOYSA-N 0 0 301.115 3.202 20 10 DGCDRN COCC[C@@H](Cc1ccco1)[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001462089964 1182906133 /nfs/dbraw/zinc/90/61/33/1182906133.db2.gz YMMWAAZQHVKCRS-LBPRGKRZSA-N 0 0 311.328 3.001 20 10 DGCDRN COc1cc(C)c(CNc2ccc(N3CCC3=O)cc2)c(O)c1 ZINC001462154674 1182915856 /nfs/dbraw/zinc/91/58/56/1182915856.db2.gz IIRBULLYWJKLCN-UHFFFAOYSA-N 0 0 312.369 3.058 20 10 DGCDRN CCC1CCC([N@H+](CCO)Cc2cc(F)cc(F)c2[O-])CC1 ZINC001462183762 1182921251 /nfs/dbraw/zinc/92/12/51/1182921251.db2.gz NPAOPWCAMOPXCZ-UHFFFAOYSA-N 0 0 313.388 3.434 20 10 DGCDRN CN(Cc1nccn1C1CC1)Cc1ccc(N2CCCC2)cc1 ZINC001462205534 1182923561 /nfs/dbraw/zinc/92/35/61/1182923561.db2.gz GVIQTXPVVJGJJU-UHFFFAOYSA-N 0 0 310.445 3.450 20 10 DGCDRN CN(Cc1c([O-])ccc(Cl)c1F)C(C)(C)C[NH+]1CCCC1 ZINC001462385316 1182944720 /nfs/dbraw/zinc/94/47/20/1182944720.db2.gz MPNBUFWZSRTHPB-UHFFFAOYSA-N 0 0 314.832 3.491 20 10 DGCDRN [O-]c1c(F)cccc1C[NH2+]Cc1cnccc1C(F)(F)F ZINC001462448376 1182954870 /nfs/dbraw/zinc/95/48/70/1182954870.db2.gz YYYQSOKMOPOFDC-UHFFFAOYSA-N 0 0 300.255 3.235 20 10 DGCDRN O=c1[nH]c2ccccc2cc1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC001462676991 1182984773 /nfs/dbraw/zinc/98/47/73/1182984773.db2.gz WRUHGVOJYJCHDZ-UHFFFAOYSA-N 0 0 316.307 3.214 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCc1ccccn1 ZINC001463813605 1183049756 /nfs/dbraw/zinc/04/97/56/1183049756.db2.gz MYFSHMXCSSKRJK-UHFFFAOYSA-N 0 0 323.440 3.273 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@H]1Cc2ccccc2S1 ZINC001606860624 1193206367 /nfs/dbraw/zinc/20/63/67/1193206367.db2.gz OGDDXVZMDLHVRO-CQSZACIVSA-N 0 0 319.813 3.379 20 10 DGCDRN Cc1cccc(C)c1OCC(=O)NCc1cccc(Cl)c1O ZINC001606860990 1193206597 /nfs/dbraw/zinc/20/65/97/1193206597.db2.gz WCHTZOZRTWETMM-UHFFFAOYSA-N 0 0 319.788 3.358 20 10 DGCDRN Cc1c[nH]c(-c2ccccc2NC(=O)c2cccc(O)c2O)n1 ZINC001465949527 1183178773 /nfs/dbraw/zinc/17/87/73/1183178773.db2.gz NZNYMWMKBDUNCQ-UHFFFAOYSA-N 0 0 309.325 3.049 20 10 DGCDRN O=C(NCc1ccccc1O)c1nc2ccccc2nc1C1CC1 ZINC001465990495 1183181206 /nfs/dbraw/zinc/18/12/06/1183181206.db2.gz LAUSYFVWFHMMCW-UHFFFAOYSA-N 0 0 319.364 3.143 20 10 DGCDRN COc1cc(NC(=O)NCc2c(O)cccc2F)ccc1F ZINC001466182169 1183191513 /nfs/dbraw/zinc/19/15/13/1183191513.db2.gz GWUGWUCXGPCOQL-UHFFFAOYSA-N 0 0 308.284 3.001 20 10 DGCDRN CCCN(CCc1cccs1)C(=O)Cc1ccc(O)c(O)c1 ZINC001466709696 1183219601 /nfs/dbraw/zinc/21/96/01/1183219601.db2.gz FNNFTNRGYHXJPM-UHFFFAOYSA-N 0 0 319.426 3.183 20 10 DGCDRN C[C@H](NC(=O)[C@@]1(O)CCCC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001467260830 1183249925 /nfs/dbraw/zinc/24/99/25/1183249925.db2.gz UZQSRUAQFJIXOP-IFXJQAMLSA-N 0 0 318.461 3.261 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(OC)c(C)c1 ZINC001467841211 1183292813 /nfs/dbraw/zinc/29/28/13/1183292813.db2.gz UAHJJQNYTTUMRM-UHFFFAOYSA-N 0 0 320.385 3.125 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)CC(C)(C)O)cc1 ZINC001468152864 1183313094 /nfs/dbraw/zinc/31/30/94/1183313094.db2.gz IJOFGNCUWNNRLB-CYBMUJFWSA-N 0 0 314.429 3.373 20 10 DGCDRN CC(F)(F)c1ccccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001468161806 1183313605 /nfs/dbraw/zinc/31/36/05/1183313605.db2.gz DRZDRSPWLPZQFF-UHFFFAOYSA-N 0 0 307.296 3.391 20 10 DGCDRN Cc1cc(CC(=O)NOCCC2CC2)c(C)n1-c1ccccc1 ZINC001468412743 1183332022 /nfs/dbraw/zinc/33/20/22/1183332022.db2.gz DAPNWKBNCOKXBV-UHFFFAOYSA-N 0 0 312.413 3.485 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC001468743858 1183355286 /nfs/dbraw/zinc/35/52/86/1183355286.db2.gz LFJSLHUYIZWEMQ-SIUPPRGNSA-N 0 0 315.461 3.152 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2C)c(O)c1O ZINC001546172274 1183384150 /nfs/dbraw/zinc/38/41/50/1183384150.db2.gz RSZCGXLCHDDPAM-ZBEGNZNMSA-N 0 0 311.381 3.460 20 10 DGCDRN C[C@@H](C(=O)NCc1ccc2cccnc2c1O)c1ccccc1F ZINC001469249026 1183394025 /nfs/dbraw/zinc/39/40/25/1183394025.db2.gz LHGXCISJDQPWFK-GFCCVEGCSA-N 0 0 324.355 3.499 20 10 DGCDRN C[C@H](NC(=O)N1CC[C@@H]2[C@H](C1)C2(F)F)c1ccc(N(C)C)cc1 ZINC001469854160 1183442281 /nfs/dbraw/zinc/44/22/81/1183442281.db2.gz PRQGKEQBAHFHFP-GLQYFDAESA-N 0 0 323.387 3.110 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1c(Cl)ccnc1F ZINC001469877486 1183443671 /nfs/dbraw/zinc/44/36/71/1183443671.db2.gz PKOOYBWHXAIJHO-UHFFFAOYSA-N 0 0 315.131 3.163 20 10 DGCDRN Cc1ccc(CCNC(=O)c2ccc(N=NC(N)=O)cc2)cc1C ZINC001469944291 1183450393 /nfs/dbraw/zinc/45/03/93/1183450393.db2.gz MLCSTHWHQCNJFI-UHFFFAOYSA-N 0 0 324.384 3.438 20 10 DGCDRN C[C@H](NC(=O)c1cc(-c2ccccc2)nn1C)c1ccccc1O ZINC001471194276 1183545646 /nfs/dbraw/zinc/54/56/46/1183545646.db2.gz HDIOQWQCOBMDJC-ZDUSSCGKSA-N 0 0 321.380 3.284 20 10 DGCDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)NCc1cccc(Cl)c1O ZINC001471348758 1183557341 /nfs/dbraw/zinc/55/73/41/1183557341.db2.gz BDNCKNWUUYZAGI-FOUMNBMASA-N 0 0 308.809 3.137 20 10 DGCDRN O=C(c1ccc(-c2ccccn2)nc1)N1Cc2cccc(O)c2C1 ZINC001471355105 1183558321 /nfs/dbraw/zinc/55/83/21/1183558321.db2.gz AGFICWDTLPGDPQ-UHFFFAOYSA-N 0 0 317.348 3.005 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1ccsc1C(F)(F)F ZINC001471642476 1183580313 /nfs/dbraw/zinc/58/03/13/1183580313.db2.gz VQWYDXZCFPYIFS-UHFFFAOYSA-N 0 0 317.288 3.108 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1cccc(Cl)c1Cl ZINC001472063400 1183612270 /nfs/dbraw/zinc/61/22/70/1183612270.db2.gz JHQHJAJIRJIOME-UHFFFAOYSA-N 0 0 312.152 3.335 20 10 DGCDRN O=C(/C=C/c1nccs1)NCc1c(O)ccc2ccccc21 ZINC001472084984 1183614529 /nfs/dbraw/zinc/61/45/29/1183614529.db2.gz JJCVIDSAJFDOJQ-BQYQJAHWSA-N 0 0 310.378 3.332 20 10 DGCDRN Cc1sc2ncnc(NCc3c(O)cccc3O)c2c1C ZINC001472886732 1183696299 /nfs/dbraw/zinc/69/62/99/1183696299.db2.gz BZJIWXXEQOBKNA-UHFFFAOYSA-N 0 0 301.371 3.331 20 10 DGCDRN COC(=O)c1cc(OC[C@H]2CCC3(CCC3)O2)ccc1N(C)C ZINC001473077562 1183713191 /nfs/dbraw/zinc/71/31/91/1183713191.db2.gz ZPMLNXCANOZFIN-CQSZACIVSA-N 0 0 319.401 3.020 20 10 DGCDRN Cc1cc(C(=O)CSC2COC2)c(C)n1-c1ccccc1 ZINC001473095570 1183714915 /nfs/dbraw/zinc/71/49/15/1183714915.db2.gz ZRWGBAULTNRJSA-UHFFFAOYSA-N 0 0 301.411 3.409 20 10 DGCDRN CCOc1ccc(N(CCCN2CCCC2=O)CC2CC2)cc1 ZINC001473719719 1183793396 /nfs/dbraw/zinc/79/33/96/1183793396.db2.gz OAMZXXJBGSFPBV-UHFFFAOYSA-N 0 0 316.445 3.314 20 10 DGCDRN CCN(C)c1ccc(CN2CCO[C@](C)(C(F)(F)F)C2)cc1 ZINC001473731693 1183794196 /nfs/dbraw/zinc/79/41/96/1183794196.db2.gz YRVZNYKYZDWTFR-HNNXBMFYSA-N 0 0 316.367 3.296 20 10 DGCDRN Cc1noc([C@H](NCc2ccc(N3CCCC3)cc2)C(C)C)n1 ZINC001474305731 1183902548 /nfs/dbraw/zinc/90/25/48/1183902548.db2.gz VLADVWXWKBKWTK-QGZVFWFLSA-N 0 0 314.433 3.465 20 10 DGCDRN Cc1cc(O)c(C[NH2+][C@H](C(=O)[O-])c2ccccc2F)cc1Cl ZINC001607698719 1193249926 /nfs/dbraw/zinc/24/99/26/1193249926.db2.gz DUEDDUSNKSZFGX-HNNXBMFYSA-N 0 0 323.751 3.409 20 10 DGCDRN CC[C@H](C)[NH+]1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC001474524732 1183934873 /nfs/dbraw/zinc/93/48/73/1183934873.db2.gz AMXSMRQJHSLGPD-NSHDSACASA-N 0 0 300.805 3.101 20 10 DGCDRN COc1ccc(O)c(C[NH+]2CC(Cc3c(F)cccc3F)C2)c1 ZINC001474568506 1183942291 /nfs/dbraw/zinc/94/22/91/1183942291.db2.gz XHRNIZYGZZYQLL-UHFFFAOYSA-N 0 0 319.351 3.354 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC001474671117 1183958582 /nfs/dbraw/zinc/95/85/82/1183958582.db2.gz RLVLCDJSDFUKFI-MWLCHTKSSA-N 0 0 301.814 3.370 20 10 DGCDRN COCOc1ccc(NC(=O)N[C@H](C)c2ccccc2O)cc1 ZINC001476768055 1184050198 /nfs/dbraw/zinc/05/01/98/1184050198.db2.gz RGGKYSDSFYLMNA-GFCCVEGCSA-N 0 0 316.357 3.258 20 10 DGCDRN CC[C@@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)[C@@H]1C ZINC001477634999 1184103474 /nfs/dbraw/zinc/10/34/74/1184103474.db2.gz OSIVTVGCXVRBLS-GDBMZVCRSA-N 0 0 315.461 3.399 20 10 DGCDRN O=C([O-])[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)Cc2ccccc21 ZINC001608645154 1193297262 /nfs/dbraw/zinc/29/72/62/1193297262.db2.gz IMDLYAVNFVOBRT-GOSISDBHSA-N 0 0 323.392 3.065 20 10 DGCDRN O=C([O-])c1cc(C[N@@H+](Cc2ccccc2O)C2CCCC2)on1 ZINC001608841120 1193306236 /nfs/dbraw/zinc/30/62/36/1193306236.db2.gz AXTMBQKVICIZDR-UHFFFAOYSA-N 0 0 316.357 3.023 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)CCc1ccco1)c1cc(C(=O)[O-])ccc1O ZINC001609740390 1193353557 /nfs/dbraw/zinc/35/35/57/1193353557.db2.gz DYIQMBDSGXAFQH-NWDGAFQWSA-N 0 0 303.358 3.355 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)Cc1ccsc1)c1cc(C(=O)[O-])ccc1O ZINC001609750104 1193354031 /nfs/dbraw/zinc/35/40/31/1193354031.db2.gz MCYZRWMVPGJAFK-WDEREUQCSA-N 0 0 305.399 3.434 20 10 DGCDRN C[C@H]([NH2+]Cc1ccsc1C(=O)[O-])c1ccc(N(C)C)cc1 ZINC001609782487 1193356885 /nfs/dbraw/zinc/35/68/85/1193356885.db2.gz SCWQDKNDMYEMMC-NSHDSACASA-N 0 0 304.415 3.363 20 10 DGCDRN C[C@@H]1[C@H](C(=O)[O-])CC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC001609833667 1193359244 /nfs/dbraw/zinc/35/92/44/1193359244.db2.gz LSQYKYHAYUGHEQ-CXAGYDPISA-N 0 0 311.381 3.354 20 10 DGCDRN CCOc1ccc(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)cc1 ZINC001610041825 1193373049 /nfs/dbraw/zinc/37/30/49/1193373049.db2.gz DWSFOFQIOYOVBH-GFCCVEGCSA-N 0 0 315.369 3.340 20 10 DGCDRN COc1ccc(C[NH2+][C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1C ZINC001610336234 1193383288 /nfs/dbraw/zinc/38/32/88/1193383288.db2.gz PSMOFVGHAJXYMT-MRXNPFEDSA-N 0 0 321.323 3.197 20 10 DGCDRN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CC=CCC1 ZINC001511779143 1186634833 /nfs/dbraw/zinc/63/48/33/1186634833.db2.gz MJFNSALQJNEUKQ-OAHLLOKOSA-N 0 0 312.417 3.285 20 10 DGCDRN Cc1ncccc1/C=C/C(=O)N(CC(F)(F)F)c1ccccn1 ZINC001518363017 1186838861 /nfs/dbraw/zinc/83/88/61/1186838861.db2.gz WRSIHKUVBREMNC-BQYQJAHWSA-N 0 0 321.302 3.394 20 10 DGCDRN CC[C@@H]1CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])[C@@H]1C ZINC001612278702 1193449527 /nfs/dbraw/zinc/44/95/27/1193449527.db2.gz IBBGTLHUBKCFSP-JDQXGDOCSA-N 0 0 318.373 3.406 20 10 DGCDRN Cc1ccc(O)c(CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])c1 ZINC001612628065 1193458072 /nfs/dbraw/zinc/45/80/72/1193458072.db2.gz KZUPRGSHPYCPIB-UHFFFAOYSA-N 0 0 303.274 3.129 20 10 DGCDRN CC[C@@H](C)Oc1cc(NCc2c(O)cccc2F)nc(C)n1 ZINC001612950141 1193464546 /nfs/dbraw/zinc/46/45/46/1193464546.db2.gz GNBXXHUZKDVTPP-SNVBAGLBSA-N 0 0 305.353 3.419 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2nc(C(C)(C)C)cs2)cc1 ZINC001523211963 1187139830 /nfs/dbraw/zinc/13/98/30/1187139830.db2.gz JILHNNHDYDVZMT-UHFFFAOYSA-N 0 0 317.458 3.437 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C/C1CCCC1 ZINC001523541527 1187170989 /nfs/dbraw/zinc/17/09/89/1187170989.db2.gz FZUNAUIJEPFYGR-JXMROGBWSA-N 0 0 300.402 3.224 20 10 DGCDRN COC1(CC(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCC1 ZINC001523553610 1187171630 /nfs/dbraw/zinc/17/16/30/1187171630.db2.gz MKZAFTOXNPNFAK-UHFFFAOYSA-N 0 0 316.445 3.204 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1CCOCC12CCCC2)c1ccccc1O ZINC001523700734 1187180765 /nfs/dbraw/zinc/18/07/65/1187180765.db2.gz RZIIDTOCTCSMNU-BBRMVZONSA-N 0 0 318.417 3.102 20 10 DGCDRN CC(C)OCCCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001525106309 1187296852 /nfs/dbraw/zinc/29/68/52/1187296852.db2.gz FNJXDXZEHNKMSO-UHFFFAOYSA-N 0 0 318.461 3.450 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2c(F)ccnc2Cl)cc1 ZINC001527408972 1187427046 /nfs/dbraw/zinc/42/70/46/1187427046.db2.gz DROACVNDFLCSJD-UHFFFAOYSA-N 0 0 321.783 3.212 20 10 DGCDRN Cn1cnc(/C=C\C(=O)N2CCCCc3cc(Cl)ccc32)c1 ZINC001529003165 1187525189 /nfs/dbraw/zinc/52/51/89/1187525189.db2.gz IYFNEZHEIHRCHI-VURMDHGXSA-N 0 0 315.804 3.456 20 10 DGCDRN Cc1ccc(/C=C/C(=O)N2CCOc3c(F)c(F)ccc32)cn1 ZINC001529217636 1187542482 /nfs/dbraw/zinc/54/24/82/1187542482.db2.gz AENWCLBANVIPCP-QPJJXVBHSA-N 0 0 316.307 3.107 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc2ccn(C)c2c1 ZINC001530833283 1187648425 /nfs/dbraw/zinc/64/84/25/1187648425.db2.gz IAHYZPTYKSSUAM-UHFFFAOYSA-N 0 0 321.424 3.483 20 10 DGCDRN CCC[C@@H](C)CC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001530898378 1187652702 /nfs/dbraw/zinc/65/27/02/1187652702.db2.gz YXSWMYRKRWCIFY-OAHLLOKOSA-N 0 0 306.450 3.416 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc3scnc3c2)cc1 ZINC001531321133 1187679502 /nfs/dbraw/zinc/67/95/02/1187679502.db2.gz NSZXLPYWJSOFCG-UHFFFAOYSA-N 0 0 311.410 3.292 20 10 DGCDRN C/C(=C\c1cccnc1)C(=O)N1CCOc2c(F)ccc(F)c21 ZINC001531417402 1187687030 /nfs/dbraw/zinc/68/70/30/1187687030.db2.gz UQXMVNGWRFKCLQ-PKNBQFBNSA-N 0 0 316.307 3.189 20 10 DGCDRN Cc1cc(CNC(=O)c2cocn2)c(C)n1-c1cccc(C)c1 ZINC001531612506 1187698935 /nfs/dbraw/zinc/69/89/35/1187698935.db2.gz ROGUNLITLDQLGO-UHFFFAOYSA-N 0 0 309.369 3.321 20 10 DGCDRN CO[C@@H](C)CC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001531612515 1187698987 /nfs/dbraw/zinc/69/89/87/1187698987.db2.gz RSAWETSOFLDOPX-HNNXBMFYSA-N 0 0 314.429 3.444 20 10 DGCDRN Cc1ncccc1/C=C/C(=O)N1CCOc2c(Cl)cccc21 ZINC001532565930 1187766829 /nfs/dbraw/zinc/76/68/29/1187766829.db2.gz VRYWDEOBSVYYTF-BQYQJAHWSA-N 0 0 314.772 3.482 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccc(-n3ccnc3)c(C)c2)c(O)c1O ZINC001614883980 1193514205 /nfs/dbraw/zinc/51/42/05/1193514205.db2.gz LUHJTYUFDZIXCC-UHFFFAOYSA-N 0 0 323.352 3.153 20 10 DGCDRN C[C@@H](c1ccccc1)N(Cc1nc[nH]n1)Cc1ccccc1O ZINC001616409929 1193538979 /nfs/dbraw/zinc/53/89/79/1193538979.db2.gz BFKXTNVOHWVTNS-AWEZNQCLSA-N 0 0 308.385 3.274 20 10 DGCDRN Cc1nc2ccc(NC(=O)Cc3ccc(O)c(O)c3)cc2s1 ZINC001540290932 1188228611 /nfs/dbraw/zinc/22/86/11/1188228611.db2.gz CJFBWHXLJZYDRG-UHFFFAOYSA-N 0 0 314.366 3.197 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2CCOCC1CCCC1 ZINC001616893330 1193550529 /nfs/dbraw/zinc/55/05/29/1193550529.db2.gz ZGXGHLQQTYBRKA-UHFFFAOYSA-N 0 0 304.434 3.158 20 10 DGCDRN Cc1ccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)s1 ZINC001541039127 1188267854 /nfs/dbraw/zinc/26/78/54/1188267854.db2.gz IDJPHGNEQMHJLW-UHFFFAOYSA-N 0 0 302.359 3.149 20 10 DGCDRN C/C(=C(\F)C(=O)NCc1ccc2c(c1)CCCN2C)C1CC1 ZINC001542389703 1188283669 /nfs/dbraw/zinc/28/36/69/1188283669.db2.gz LNIDHPCPNLNOIH-SFQUDFHCSA-N 0 0 302.393 3.339 20 10 DGCDRN Cc1nc(NC(=O)c2ccc(N=NC(N)=O)cc2)sc1C ZINC001542950249 1188309753 /nfs/dbraw/zinc/30/97/53/1188309753.db2.gz GZKOICLDEVXOOY-UHFFFAOYSA-N 0 0 303.347 3.175 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H](C)[C@@H]2CCCO2)cc1F ZINC001543251561 1188324339 /nfs/dbraw/zinc/32/43/39/1188324339.db2.gz SOCBEOFELISKDM-DYVFJYSZSA-N 0 0 322.424 3.103 20 10 DGCDRN C[C@H](Cc1ccsc1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001543518603 1188339219 /nfs/dbraw/zinc/33/92/19/1188339219.db2.gz NLUURNDUXLPPEE-SNVBAGLBSA-N 0 0 316.386 3.272 20 10 DGCDRN CCc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)c(O)c1 ZINC001544308368 1188387388 /nfs/dbraw/zinc/38/73/88/1188387388.db2.gz JLTUSFAJXRTTMY-UHFFFAOYSA-N 0 0 316.376 3.090 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)Nc1cncc(Cl)c1 ZINC001563132731 1188510105 /nfs/dbraw/zinc/51/01/05/1188510105.db2.gz HJMLZBLIOOSPCG-UHFFFAOYSA-N 0 0 312.156 3.416 20 10 DGCDRN COc1ccc2[nH]c(NC(=O)/C=C\c3ccc(O)c(O)c3)cc2c1 ZINC001556179990 1188988492 /nfs/dbraw/zinc/98/84/92/1188988492.db2.gz ZAUZLHLHSWUPFR-CLTKARDFSA-N 0 0 324.336 3.240 20 10 DGCDRN CCc1ccc(F)cc1C(=O)NCc1ccc(OC)cc1O ZINC001556354554 1188996429 /nfs/dbraw/zinc/99/64/29/1188996429.db2.gz NCMCCSMKHVPCAG-UHFFFAOYSA-N 0 0 303.333 3.032 20 10 DGCDRN C[C@@H]1CC[C@@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC001556468172 1189002624 /nfs/dbraw/zinc/00/26/24/1189002624.db2.gz BHZFRGLZSDJEBI-NXEZZACHSA-N 0 0 305.399 3.479 20 10 DGCDRN CCOC(=O)c1cc(NC(=O)C2=CC(=O)CS2)c(F)cc1C ZINC001556575645 1189007727 /nfs/dbraw/zinc/00/77/27/1189007727.db2.gz WYZIOYSXSBIUOP-UHFFFAOYSA-N 0 0 323.345 3.330 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1c(O)cccc1Cl ZINC001556784088 1189019775 /nfs/dbraw/zinc/01/97/75/1189019775.db2.gz JYECJAXEUMLODE-FNORWQNLSA-N 0 0 305.717 3.109 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCOc2ccccc21 ZINC001557386132 1189060829 /nfs/dbraw/zinc/06/08/29/1189060829.db2.gz OUJDVBHBDBZBAV-CQSZACIVSA-N 0 0 317.772 3.228 20 10 DGCDRN C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1N)c1ccccc1O ZINC001557968368 1189095579 /nfs/dbraw/zinc/09/55/79/1189095579.db2.gz IBACXVCSTCYTIY-VIFPVBQESA-N 0 0 324.302 3.484 20 10 DGCDRN C[C@@H](NC(=O)Cc1nc(C2CC2)cs1)c1ccccc1O ZINC001557967650 1189095686 /nfs/dbraw/zinc/09/56/86/1189095686.db2.gz IOEVJLRXNUSYAR-SNVBAGLBSA-N 0 0 302.399 3.146 20 10 DGCDRN O=C(c1cc(-c2cccs2)on1)N1Cc2cccc(O)c2C1 ZINC001558036768 1189100733 /nfs/dbraw/zinc/10/07/33/1189100733.db2.gz ZXSKZMXWGGTSQE-UHFFFAOYSA-N 0 0 312.350 3.265 20 10 DGCDRN C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1c(O)cccc1F ZINC001558454961 1189126555 /nfs/dbraw/zinc/12/65/55/1189126555.db2.gz IPUXAJIWHXUCSJ-SNVBAGLBSA-N 0 0 323.751 3.268 20 10 DGCDRN CC(C)Oc1ccc(C(=O)NCc2c(O)cccc2F)cc1 ZINC001558454888 1189126560 /nfs/dbraw/zinc/12/65/60/1189126560.db2.gz GLCOHWLJSQSBOL-UHFFFAOYSA-N 0 0 303.333 3.249 20 10 DGCDRN Cc1nc2cc(C(=O)NCc3cccc(Cl)c3O)ccc2o1 ZINC001558757840 1189146366 /nfs/dbraw/zinc/14/63/66/1189146366.db2.gz UVRNXCKPWGJHGF-UHFFFAOYSA-N 0 0 316.744 3.425 20 10 DGCDRN Cc1cccc([C@@H](C)CNC(=O)c2c(F)ccc(O)c2O)c1 ZINC001558938995 1189157516 /nfs/dbraw/zinc/15/75/16/1189157516.db2.gz DQEMECWUNVLTIH-NSHDSACASA-N 0 0 303.333 3.079 20 10 DGCDRN COc1ccc(O)c([C@@H](C)Nc2ncnc(-c3ccccc3)n2)c1 ZINC001559099268 1189170915 /nfs/dbraw/zinc/17/09/15/1189170915.db2.gz MSPYVUMERBNQNB-GFCCVEGCSA-N 0 0 322.368 3.426 20 10 DGCDRN Oc1cccc(F)c1CNc1nc2ccccc2n2cncc12 ZINC001559284915 1189191981 /nfs/dbraw/zinc/19/19/81/1189191981.db2.gz WDIAFCCLEMFWQD-UHFFFAOYSA-N 0 0 308.316 3.339 20 10 DGCDRN COC(=O)c1cc(OC/C(Cl)=C/Cl)ccc1N(C)C ZINC001559457010 1189206455 /nfs/dbraw/zinc/20/64/55/1189206455.db2.gz WRIXFMPZONYYPZ-CLFYSBASSA-N 0 0 304.173 3.237 20 10 DGCDRN Cc1cc(CN2Cc3ccccc3NC(=O)[C@@H]2C)ccc1N(C)C ZINC001559989572 1189266666 /nfs/dbraw/zinc/26/66/66/1189266666.db2.gz SSUMMNLAPMCBES-HNNXBMFYSA-N 0 0 323.440 3.404 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+]Cc2nccs2)c1 ZINC001560282132 1189305649 /nfs/dbraw/zinc/30/56/49/1189305649.db2.gz WBDAKLXEQFZSTO-UHFFFAOYSA-N 0 0 313.220 3.209 20 10 DGCDRN CCNC(=O)c1ccc(C)c(NCc2cc(F)cc(F)c2O)c1 ZINC001560386237 1189321588 /nfs/dbraw/zinc/32/15/88/1189321588.db2.gz XGVLNQLDCWAVAG-UHFFFAOYSA-N 0 0 320.339 3.341 20 10 DGCDRN CN1CCCC(C)(C)[C@H]1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001560462308 1189330949 /nfs/dbraw/zinc/33/09/49/1189330949.db2.gz HRTFXFKVAIJSME-CQSZACIVSA-N 0 0 314.832 3.395 20 10 DGCDRN CCOC(=O)[C@H](CC1CC1)NCc1cc(C(C)C)ccc1O ZINC001560995916 1189417286 /nfs/dbraw/zinc/41/72/86/1189417286.db2.gz CEPQFDADLGPILL-INIZCTEOSA-N 0 0 305.418 3.337 20 10 DGCDRN C/C=C(/C=C\C(=O)N1CCOc2cc(N(C)C)ccc21)CC ZINC001566008620 1189715311 /nfs/dbraw/zinc/71/53/11/1189715311.db2.gz WWWDFJYTJRTHFB-SOQHDQFTSA-N 0 0 300.402 3.391 20 10 DGCDRN CN(CCc1cccs1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001566156837 1189748674 /nfs/dbraw/zinc/74/86/74/1189748674.db2.gz KNMDLVNWJLEGQC-UHFFFAOYSA-N 0 0 316.386 3.225 20 10 DGCDRN COc1cccc(CNC(=O)C/C=C\Cc2ccccc2)c1O ZINC001566374209 1189765751 /nfs/dbraw/zinc/76/57/51/1189765751.db2.gz YRSASUUSDMTEPL-WAYWQWQTSA-N 0 0 311.381 3.206 20 10 DGCDRN C[C@@H](Cc1ccsc1)N(C)C(=O)NCCc1ccc(N)cc1 ZINC001576065371 1191525824 /nfs/dbraw/zinc/52/58/24/1191525824.db2.gz CHRYICQEJITMFR-ZDUSSCGKSA-N 0 0 317.458 3.145 20 10 DGCDRN COc1cc2c(c(OC)c1)N(C[C@@H]1CC3(CCC3)CO1)CCC2 ZINC001618568499 1193743566 /nfs/dbraw/zinc/74/35/66/1193743566.db2.gz LPNQBTABHSJZBQ-INIZCTEOSA-N 0 0 317.429 3.416 20 10 DGCDRN Cc1ccc(CN(Cc2ccco2)Cc2ccccc2O)nn1 ZINC001621113271 1193766432 /nfs/dbraw/zinc/76/64/32/1193766432.db2.gz CITYPLIXFBUVAC-UHFFFAOYSA-N 0 0 309.369 3.286 20 10 DGCDRN [O-]c1c(CN2CCC[C@@H]2C[NH+]2CCCCC2)ccc(F)c1F ZINC001621133636 1193807198 /nfs/dbraw/zinc/80/71/98/1193807198.db2.gz CWMXJUDEOWDNDI-CQSZACIVSA-N 0 0 310.388 3.121 20 10 DGCDRN COc1ccc2c(c1)N(Cc1cc(C)cc(OC)c1O)CCO2 ZINC001621229011 1193819911 /nfs/dbraw/zinc/81/99/11/1193819911.db2.gz RDFJJKWGBLFOTK-UHFFFAOYSA-N 0 0 315.369 3.117 20 10 DGCDRN [O-]c1cc(Cl)ccc1C[NH2+][C@H]1CCc2cc(O)ccc2C1 ZINC001621292053 1193827795 /nfs/dbraw/zinc/82/77/95/1193827795.db2.gz OAPLTEUILJSNCO-HNNXBMFYSA-N 0 0 303.789 3.398 20 10 DGCDRN CC1(C)CCC[C@@](O)(C[NH2+]Cc2cc(F)c(F)cc2[O-])CC1 ZINC001621477273 1193848152 /nfs/dbraw/zinc/84/81/52/1193848152.db2.gz KKYFBEZQYORZHJ-KRWDZBQOSA-N 0 0 313.388 3.481 20 10 DGCDRN CON(C(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1)C(C)C ZINC001622600856 1193906934 /nfs/dbraw/zinc/90/69/34/1193906934.db2.gz ANINWKIJGOSGSI-UHFFFAOYSA-N 0 0 314.385 3.319 20 10 DGCDRN CCc1onc(C)c1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001623092671 1193919442 /nfs/dbraw/zinc/91/94/42/1193919442.db2.gz ZWLAYEJYFKZOEV-UHFFFAOYSA-N 0 0 318.354 3.424 20 10 DGCDRN CCO[C@@H]1[C@H](C)[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC001625240927 1194039810 /nfs/dbraw/zinc/03/98/10/1194039810.db2.gz SMNXQFWQUXNLED-ZTFGCOKTSA-N 0 0 318.461 3.161 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)Nc1c2c(cc3c1CCC3)CCC2 ZINC001625596972 1194059552 /nfs/dbraw/zinc/05/95/52/1194059552.db2.gz OOOYAUIUFSQYKE-UHFFFAOYSA-N 0 0 323.392 3.256 20 10 DGCDRN CC[C@@H](C)NC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001625748890 1194066932 /nfs/dbraw/zinc/06/69/32/1194066932.db2.gz QAJHFQJXHLAEKQ-GFCCVEGCSA-N 0 0 309.373 3.316 20 10 DGCDRN C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC001626941109 1194103121 /nfs/dbraw/zinc/10/31/21/1194103121.db2.gz UEAANNZQYSLPPB-BNEJOLLZSA-N 0 0 312.457 3.367 20 10 DGCDRN C[C@@H]1CCC[C@@H](C2CN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)C1 ZINC001649210813 1194107252 /nfs/dbraw/zinc/10/72/52/1194107252.db2.gz ABKMZKPBFTZULJ-AQGQNPDFSA-N 0 0 315.413 3.396 20 10 DGCDRN CC(C)Oc1ccc(C(=O)NCc2cc(Cl)ccc2O)cn1 ZINC001628666494 1194190773 /nfs/dbraw/zinc/19/07/73/1194190773.db2.gz DYUPYQXJFNSMDO-UHFFFAOYSA-N 0 0 320.776 3.158 20 10 DGCDRN O=C(CSc1ccccc1)NCc1cc(Cl)ccc1O ZINC001628666330 1194190821 /nfs/dbraw/zinc/19/08/21/1194190821.db2.gz AHBRNXGELQIPKN-UHFFFAOYSA-N 0 0 307.802 3.454 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)C1(Nc2ccccc2)CC1 ZINC001628679908 1194191346 /nfs/dbraw/zinc/19/13/46/1194191346.db2.gz DBQPSEFNLKFCEX-UHFFFAOYSA-N 0 0 316.788 3.307 20 10 DGCDRN COc1ccc2c(c1)c1c(n2CC(=O)NC(C)(C)C)CCCC1 ZINC001629404868 1194231678 /nfs/dbraw/zinc/23/16/78/1194231678.db2.gz JSQZRJJAMHDDAK-UHFFFAOYSA-N 0 0 314.429 3.443 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccc(-c3c[nH]cn3)cc2)c1 ZINC001629740921 1194250433 /nfs/dbraw/zinc/25/04/33/1194250433.db2.gz SUGHYRRCQCLVMT-UHFFFAOYSA-N 0 0 307.353 3.021 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccc(C)c(Cl)c2N)c1 ZINC001629740946 1194250564 /nfs/dbraw/zinc/25/05/64/1194250564.db2.gz UMXAYDGPNXJVFV-UHFFFAOYSA-N 0 0 304.777 3.175 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1cc2cc(F)ccc2s1 ZINC001630301927 1194279293 /nfs/dbraw/zinc/27/92/93/1194279293.db2.gz NSBDXXJSVHHZIZ-UHFFFAOYSA-N 0 0 317.341 3.382 20 10 DGCDRN CCCN(C)c1ccccc1NC(=O)c1cccc(O)c1O ZINC001631397867 1194333045 /nfs/dbraw/zinc/33/30/45/1194333045.db2.gz JMBFWQJMHZECCG-UHFFFAOYSA-N 0 0 300.358 3.196 20 10 DGCDRN Cc1ccc(C(=O)N[C@H](C)[C@H]2CC3CCC2CC3)c(O)c1O ZINC001631862727 1194359048 /nfs/dbraw/zinc/35/90/48/1194359048.db2.gz KTGXVHYNRMLPBK-XZNOPERXSA-N 0 0 303.402 3.351 20 10 DGCDRN O=C(NCCc1ccsc1)c1cc2cc(O)c(O)cc2s1 ZINC001632051300 1194369476 /nfs/dbraw/zinc/36/94/76/1194369476.db2.gz CUKTUZDLXOFVIB-UHFFFAOYSA-N 0 0 319.407 3.347 20 10 DGCDRN C[C@H](NC(=O)Cc1cccc2cccnc21)c1ccccc1O ZINC001632249788 1194379053 /nfs/dbraw/zinc/37/90/53/1194379053.db2.gz BSOYUHZKWRWFSC-ZDUSSCGKSA-N 0 0 306.365 3.360 20 10 DGCDRN C[C@H](NC(=O)C1=NO[C@H](c2ccccc2)C1)c1ccccc1O ZINC001632250621 1194379252 /nfs/dbraw/zinc/37/92/52/1194379252.db2.gz YRJWYTXQBFZFNS-SJCJKPOMSA-N 0 0 310.353 3.087 20 10 DGCDRN COc1ccccc1N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001632299848 1194381306 /nfs/dbraw/zinc/38/13/06/1194381306.db2.gz BACZDQNTBOJJMK-UHFFFAOYSA-N 0 0 312.329 3.134 20 10 DGCDRN COc1ccc(Cl)cc1CC(=O)N1Cc2cccc(O)c2C1 ZINC001632703167 1194402641 /nfs/dbraw/zinc/40/26/41/1194402641.db2.gz DKNZNWOAHKALOF-UHFFFAOYSA-N 0 0 317.772 3.139 20 10 DGCDRN Cc1cc2ccccc2nc1C(=O)N1Cc2cccc(O)c2C1 ZINC001632709041 1194402955 /nfs/dbraw/zinc/40/29/55/1194402955.db2.gz KOVOKJGGZBIWLD-UHFFFAOYSA-N 0 0 304.349 3.405 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H](C)CSC(F)(F)F)c1 ZINC001633281949 1194429756 /nfs/dbraw/zinc/42/97/56/1194429756.db2.gz AGVFLUSDBWGHHU-VIFPVBQESA-N 0 0 307.337 3.206 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cccnc2OCC(C)C)c1 ZINC001633283300 1194429921 /nfs/dbraw/zinc/42/99/21/1194429921.db2.gz YLFMZMZOUZSKHP-UHFFFAOYSA-N 0 0 314.385 3.060 20 10 DGCDRN Cc1ccc2n[nH]cc2c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001633315457 1194431360 /nfs/dbraw/zinc/43/13/60/1194431360.db2.gz QEDLCFACWULHEO-CYBMUJFWSA-N 0 0 322.412 3.428 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H](C(F)F)C2CCCCC2)c(O)c1O ZINC001633316104 1194432031 /nfs/dbraw/zinc/43/20/31/1194432031.db2.gz HTIYOHVSEPJPNZ-GFCCVEGCSA-N 0 0 313.344 3.350 20 10 DGCDRN C/C(=C/C(=O)NCc1cccc(O)c1O)c1ccccc1Cl ZINC001633509768 1194440156 /nfs/dbraw/zinc/44/01/56/1194440156.db2.gz WXPQGXCPQOZJGR-LUAWRHEFSA-N 0 0 317.772 3.471 20 10 DGCDRN O=C(/C=C/c1ccc(Cl)cc1)NCc1cccc(O)c1O ZINC001633515532 1194440291 /nfs/dbraw/zinc/44/02/91/1194440291.db2.gz FGHNIKBTLIEEFG-RMKNXTFCSA-N 0 0 303.745 3.081 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)C1(Sc2ccccc2)CC1 ZINC001633599249 1194444816 /nfs/dbraw/zinc/44/48/16/1194444816.db2.gz UWHIJLDBVVYFRZ-UHFFFAOYSA-N 0 0 315.394 3.039 20 10 DGCDRN CC(C)(C)n1nccc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001633742569 1194453541 /nfs/dbraw/zinc/45/35/41/1194453541.db2.gz ZHNUMDONIAZZAQ-UHFFFAOYSA-N 0 0 314.349 3.053 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)[C@@H](C)C(C)(C)C ZINC001633817799 1194457077 /nfs/dbraw/zinc/45/70/77/1194457077.db2.gz BAIZIOLPABGBRV-FRRDWIJNSA-N 0 0 307.434 3.463 20 10 DGCDRN COc1ccc(CNC(=O)/C=C(\C)c2ccccc2C)c(O)c1 ZINC001635038812 1194529701 /nfs/dbraw/zinc/52/97/01/1194529701.db2.gz QGSJXWWKINGBHY-GXDHUFHOSA-N 0 0 311.381 3.429 20 10 DGCDRN O=C(NCc1cc2ccccc2[nH]1)N1Cc2cccc(O)c2C1 ZINC001635215050 1194538592 /nfs/dbraw/zinc/53/85/92/1194538592.db2.gz ISADUGSXLLDNGB-UHFFFAOYSA-N 0 0 307.353 3.099 20 10 DGCDRN C[C@H](NC(=O)c1ncsc1C(F)(F)F)c1ccccc1O ZINC001635803815 1194573437 /nfs/dbraw/zinc/57/34/37/1194573437.db2.gz KWOSKMWCEOLOCK-ZETCQYMHSA-N 0 0 316.304 3.359 20 10 DGCDRN Cc1nc2ccccc2c(C)c1C(=O)NCc1c(O)cccc1O ZINC001635847539 1194575941 /nfs/dbraw/zinc/57/59/41/1194575941.db2.gz PJLCSSNGXIGXCG-UHFFFAOYSA-N 0 0 322.364 3.193 20 10 DGCDRN CC(C)c1ncc(C(=O)NCc2c(O)ccc3ccccc32)[nH]1 ZINC001635965382 1194582479 /nfs/dbraw/zinc/58/24/79/1194582479.db2.gz XSDLHGDVVCEFNX-UHFFFAOYSA-N 0 0 309.369 3.322 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)Nc1cccc2ccc(O)cc21 ZINC001636857318 1194636721 /nfs/dbraw/zinc/63/67/21/1194636721.db2.gz GMLSIIQSYGRARV-UHFFFAOYSA-N 0 0 309.321 3.138 20 10 DGCDRN CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001636923190 1194641231 /nfs/dbraw/zinc/64/12/31/1194641231.db2.gz XJYIDZAVVBTVNY-VVDJSUPNSA-N 0 0 319.401 3.327 20 10 DGCDRN CCn1c(C(=O)NCc2cc(O)ccc2O)cc2ccccc21 ZINC001637122751 1194651050 /nfs/dbraw/zinc/65/10/50/1194651050.db2.gz OOFMHUJOIPPQKQ-UHFFFAOYSA-N 0 0 310.353 3.002 20 10 DGCDRN Cc1ccc(O[C@@H](C)C(=O)NCc2cccc(Cl)c2O)cc1 ZINC001637227323 1194658031 /nfs/dbraw/zinc/65/80/31/1194658031.db2.gz WVWOYNSWXWTLLK-LBPRGKRZSA-N 0 0 319.788 3.438 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1CCc2cccc(O)c21 ZINC001637226869 1194658057 /nfs/dbraw/zinc/65/80/57/1194658057.db2.gz CSPHTDKCTCVFPU-GFCCVEGCSA-N 0 0 317.772 3.097 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc2c(n1)CCCC2 ZINC001637447157 1194670198 /nfs/dbraw/zinc/67/01/98/1194670198.db2.gz LIVBAXAPYQMKJR-UXBLZVDNSA-N 0 0 310.353 3.024 20 10 DGCDRN COc1cc(NC(=O)c2cccc(O)c2O)c(Cl)c(OC)c1 ZINC001637844899 1194689831 /nfs/dbraw/zinc/68/98/31/1194689831.db2.gz WRBKEUFJDNUUSN-UHFFFAOYSA-N 0 0 323.732 3.021 20 10 DGCDRN Cc1cc(C)cc(C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001638570359 1194724578 /nfs/dbraw/zinc/72/45/78/1194724578.db2.gz ZSKJTQGMFJMIOR-UHFFFAOYSA-N 0 0 306.365 3.487 20 10 DGCDRN O=C(CCCOc1ccccc1F)NCc1c(O)cccc1F ZINC001638862872 1194741434 /nfs/dbraw/zinc/74/14/34/1194741434.db2.gz GLMLFUJQGKHEGL-UHFFFAOYSA-N 0 0 321.323 3.146 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1cnoc1C ZINC001639435283 1194766307 /nfs/dbraw/zinc/76/63/07/1194766307.db2.gz QNLGGBDGFWFXIS-UHFFFAOYSA-N 0 0 315.398 3.382 20 10 DGCDRN C[C@H](CC(=O)NCc1ccc(O)cc1O)c1ccccc1F ZINC001639444265 1194766550 /nfs/dbraw/zinc/76/65/50/1194766550.db2.gz FAQXABATDBXPNA-LLVKDONJSA-N 0 0 303.333 3.047 20 10 DGCDRN NC(=O)c1cnc(Sc2ncc(Cl)s2)c(Cl)c1 ZINC001640213435 1194801960 /nfs/dbraw/zinc/80/19/60/1194801960.db2.gz XTEJUZQOKRJGFD-UHFFFAOYSA-N 0 0 306.199 3.095 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nn2cccn2)c1 ZINC001641416171 1194852922 /nfs/dbraw/zinc/85/29/22/1194852922.db2.gz DEYYHHUMOKAAGF-UHFFFAOYSA-N 0 0 314.776 3.328 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cc(Cl)cc(F)c2N)c1 ZINC001641733303 1194868676 /nfs/dbraw/zinc/86/86/76/1194868676.db2.gz QFEQIVOYJJALNC-UHFFFAOYSA-N 0 0 308.740 3.005 20 10 DGCDRN CC(C)(C)c1cnc(Sc2nc(N)nc(Cl)c2N)s1 ZINC001642412045 1194908524 /nfs/dbraw/zinc/90/85/24/1194908524.db2.gz JFLOYPIMXYYHPX-UHFFFAOYSA-N 0 0 315.855 3.200 20 10 DGCDRN COC(=O)c1cnc(Sc2c(F)cccc2[N+](=O)[O-])s1 ZINC001642725580 1194932606 /nfs/dbraw/zinc/93/26/06/1194932606.db2.gz USVWFRHTZITUMB-UHFFFAOYSA-N 0 0 314.319 3.128 20 10 DGCDRN C[C@@H](NC(=O)c1cccc(C(F)(F)F)n1)c1ccccc1O ZINC001642827728 1194943651 /nfs/dbraw/zinc/94/36/51/1194943651.db2.gz PZHRUHAVZYBNIV-SECBINFHSA-N 0 0 310.275 3.297 20 10 DGCDRN C[C@@H](NC(=O)Cn1cc(C=O)c2ccccc21)c1ccccc1O ZINC001642827597 1194943903 /nfs/dbraw/zinc/94/39/03/1194943903.db2.gz MIHBSOORLZQARB-CYBMUJFWSA-N 0 0 322.364 3.037 20 10 DGCDRN C[C@H](NC(=O)Cn1ccc2ccc(F)cc21)c1ccccc1O ZINC001642830559 1194944563 /nfs/dbraw/zinc/94/45/63/1194944563.db2.gz HSAMHIZPMKUXIO-LBPRGKRZSA-N 0 0 312.344 3.363 20 10 DGCDRN COc1ccc(F)c(OC)c1C(=O)N[C@@H](C)c1ccccc1O ZINC001642830200 1194944824 /nfs/dbraw/zinc/94/48/24/1194944824.db2.gz ALKQDIWGUHMPNV-JTQLQIEISA-N 0 0 319.332 3.040 20 10 DGCDRN COc1ccc(-n2c(C)cc(C(=O)Nc3nccn3C)c2C)cc1 ZINC001642882413 1194951122 /nfs/dbraw/zinc/95/11/22/1194951122.db2.gz PLAUNDUIMUNEPT-UHFFFAOYSA-N 0 0 324.384 3.089 20 10 DGCDRN Cc1c2cccc(C)c2oc1C(=O)NCc1ccc(O)cc1O ZINC001643101162 1194984959 /nfs/dbraw/zinc/98/49/59/1194984959.db2.gz XMDUJLWIAUUJDI-UHFFFAOYSA-N 0 0 311.337 3.391 20 10 DGCDRN O=C(c1ccccc1-n1cccc1)N1Cc2cccc(O)c2C1 ZINC001643174049 1195000109 /nfs/dbraw/zinc/00/01/09/1195000109.db2.gz VYUBAEMBJCUJLE-UHFFFAOYSA-N 0 0 304.349 3.339 20 10 DGCDRN Nc1c(Cl)cc(Cl)cc1C(=O)N1Cc2cccc(O)c2C1 ZINC001643173483 1195000331 /nfs/dbraw/zinc/00/03/31/1195000331.db2.gz JQHBYVRAHIUVHG-UHFFFAOYSA-N 0 0 323.179 3.437 20 10 DGCDRN O=C(CCc1cnc2ccccc2c1)N1Cc2cccc(O)c2C1 ZINC001643173418 1195000469 /nfs/dbraw/zinc/00/04/69/1195000469.db2.gz HDCYPTQAEBIBPL-UHFFFAOYSA-N 0 0 318.376 3.415 20 10 DGCDRN Cc1ccn(-c2cccc(C(=O)N[C@H](C)c3ccccc3O)c2)n1 ZINC001643738564 1195050775 /nfs/dbraw/zinc/05/07/75/1195050775.db2.gz HHYIXUZEAQFFAW-CQSZACIVSA-N 0 0 321.380 3.377 20 10 DGCDRN C[C@H](NC(=O)CNc1cccc(Cl)c1)c1ccccc1O ZINC001643742016 1195051129 /nfs/dbraw/zinc/05/11/29/1195051129.db2.gz KFSNELRUECQYKZ-NSHDSACASA-N 0 0 304.777 3.335 20 10 DGCDRN C[C@H](NC(=O)CCOc1ccc(F)cc1)c1ccccc1O ZINC001643742237 1195051384 /nfs/dbraw/zinc/05/13/84/1195051384.db2.gz VCJCEDAQYKLSQD-LBPRGKRZSA-N 0 0 303.333 3.178 20 10 DGCDRN C[C@@H](Cc1cccc(Cl)c1)C(=O)NCc1cccc(O)c1O ZINC001643813008 1195056699 /nfs/dbraw/zinc/05/66/99/1195056699.db2.gz VYTONESDSPXDSS-NSHDSACASA-N 0 0 319.788 3.246 20 10 DGCDRN O=C(CCc1cncc2ccccc21)N1Cc2cccc(O)c2C1 ZINC001644088188 1195080165 /nfs/dbraw/zinc/08/01/65/1195080165.db2.gz JBEOTEDACQMNFK-UHFFFAOYSA-N 0 0 318.376 3.415 20 10 DGCDRN O=C(c1cc(F)c2ncccc2c1)N1Cc2cccc(O)c2C1 ZINC001644088275 1195080348 /nfs/dbraw/zinc/08/03/48/1195080348.db2.gz MWKXKAYCMYUPAV-UHFFFAOYSA-N 0 0 308.312 3.236 20 10 DGCDRN Cc1ncoc1-c1ccc(NC(=O)c2cccc(O)c2O)cc1 ZINC001645010542 1195149971 /nfs/dbraw/zinc/14/99/71/1195149971.db2.gz YLWRYDNUFNXFPD-UHFFFAOYSA-N 0 0 310.309 3.314 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@H](C)c2ccc(F)cc2F)c1 ZINC001645800336 1195201762 /nfs/dbraw/zinc/20/17/62/1195201762.db2.gz CECBKSCZEMWGAD-LLVKDONJSA-N 0 0 305.324 3.399 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cc(F)c(Cl)cc1F ZINC001646035280 1195211232 /nfs/dbraw/zinc/21/12/32/1195211232.db2.gz VMSCMRVGVGFVSY-UHFFFAOYSA-N 0 0 315.678 3.393 20 10 DGCDRN CNc1cc(Cl)ccc1C(=O)NCc1c(O)cccc1F ZINC001646034087 1195211421 /nfs/dbraw/zinc/21/14/21/1195211421.db2.gz GILFGDWAMXXKOB-UHFFFAOYSA-N 0 0 308.740 3.156 20 10 DGCDRN CCO[C@@H](C(=O)NCc1c(O)ccc2ccccc21)C(C)C ZINC001647791150 1195253509 /nfs/dbraw/zinc/25/35/09/1195253509.db2.gz LSCRZPHXFDLZRD-QGZVFWFLSA-N 0 0 301.386 3.223 20 10 DGCDRN Cc1ccccc1NCCC(=O)NCc1cccc(Cl)c1O ZINC001648606159 1195312864 /nfs/dbraw/zinc/31/28/64/1195312864.db2.gz JSRBYSCTZWKODU-UHFFFAOYSA-N 0 0 318.804 3.472 20 10 DGCDRN O=C(CCc1ccccc1F)NCc1cccc(Cl)c1O ZINC001648606754 1195313334 /nfs/dbraw/zinc/31/33/34/1195313334.db2.gz XQEHPXWDKDCEPZ-UHFFFAOYSA-N 0 0 307.752 3.434 20 10 DGCDRN CCc1ccc2c(c1)CCN2C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001648616443 1195314937 /nfs/dbraw/zinc/31/49/37/1195314937.db2.gz OTSFOJUMHCLZDP-VMPITWQZSA-N 0 0 309.365 3.263 20 10 DGCDRN Cc1c(Cl)cccc1OCC(=O)N1Cc2cccc(O)c2C1 ZINC001650674751 1195370569 /nfs/dbraw/zinc/37/05/69/1195370569.db2.gz OBIMUGAJVGLTEO-UHFFFAOYSA-N 0 0 317.772 3.275 20 10 DGCDRN Oc1c(F)cc(F)cc1CNc1ccccc1-n1cccn1 ZINC001650712794 1195374027 /nfs/dbraw/zinc/37/40/27/1195374027.db2.gz DRFGLEFLQYQNNJ-UHFFFAOYSA-N 0 0 301.296 3.468 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])[C@H](O)Cc1ccccc1 ZINC001650807851 1195385182 /nfs/dbraw/zinc/38/51/82/1195385182.db2.gz QGOVTOZTFODKFB-MEDUHNTESA-N 0 0 323.795 3.266 20 10 DGCDRN Cn1c(COc2ccccc2)nnc1Sc1nccs1 ZINC001650848370 1195388752 /nfs/dbraw/zinc/38/87/52/1195388752.db2.gz YKZHGOVBOGGEKD-UHFFFAOYSA-N 0 0 304.400 3.002 20 10 DGCDRN C[C@@H](C(=O)NCc1cccc(O)c1O)c1ccc(Cl)cc1 ZINC001651175658 1195423302 /nfs/dbraw/zinc/42/33/02/1195423302.db2.gz HVONHOPAXBLWGE-SNVBAGLBSA-N 0 0 305.761 3.171 20 10 DGCDRN CC(C)Cc1ccc(CC(=O)NCc2cc(O)ccc2O)cc1 ZINC001651222435 1195427803 /nfs/dbraw/zinc/42/78/03/1195427803.db2.gz FLIOHXRYKGJPAD-UHFFFAOYSA-N 0 0 313.397 3.155 20 10 DGCDRN CC[C@@H](Cc1ccccc1C)C(=O)NCc1cc(O)ccc1O ZINC001651225724 1195429132 /nfs/dbraw/zinc/42/91/32/1195429132.db2.gz WFMKEDQSHGZXCL-AWEZNQCLSA-N 0 0 313.397 3.291 20 10 DGCDRN COc1cccc(NCc2c(O)cccc2Br)n1 ZINC001651316826 1195443068 /nfs/dbraw/zinc/44/30/68/1195443068.db2.gz OUIUOSHCAQFKMD-UHFFFAOYSA-N 0 0 309.163 3.170 20 10 DGCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@H]2C)CCCC1 ZINC001651428631 1195460663 /nfs/dbraw/zinc/46/06/63/1195460663.db2.gz FNYGPDDJLLOXEX-CYBMUJFWSA-N 0 0 312.413 3.150 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@H]2C[C@H]2Cc2ccccc2)c1 ZINC001651691153 1195497933 /nfs/dbraw/zinc/49/79/33/1195497933.db2.gz OGGISCMWTVARKX-HUUCEWRRSA-N 0 0 312.369 3.269 20 10 DGCDRN C[N@H+](CCOc1ccccc1F)Cc1ccc(F)c(F)c1[O-] ZINC001652066722 1195543898 /nfs/dbraw/zinc/54/38/98/1195543898.db2.gz FXYASXVENBQMBH-UHFFFAOYSA-N 0 0 311.303 3.320 20 10 DGCDRN COC(=O)c1ccc(NCc2cc(F)cc(F)c2O)c(OC)c1 ZINC001652216246 1195563086 /nfs/dbraw/zinc/56/30/86/1195563086.db2.gz WDHSVXIBKOZMNY-UHFFFAOYSA-N 0 0 323.295 3.078 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1coc(-c2ccccc2)n1 ZINC001652298728 1195577797 /nfs/dbraw/zinc/57/77/97/1195577797.db2.gz PBHYNNZWMYGTAX-UHFFFAOYSA-N 0 0 312.300 3.116 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@@H]1C[C@]1(F)c1ccccc1 ZINC001652298717 1195578013 /nfs/dbraw/zinc/57/80/13/1195578013.db2.gz OLLHHNXSZJTJSD-GUYCJALGSA-N 0 0 303.308 3.032 20 10 DGCDRN CC(C)[C@@H]([NH2+]Cc1cc(F)c(F)cc1[O-])[C@@H](CO)C(C)C ZINC001652500218 1195606817 /nfs/dbraw/zinc/60/68/17/1195606817.db2.gz SZGCUUHUSVIGQG-BLLLJJGKSA-N 0 0 301.377 3.049 20 10 DGCDRN C[C@@]1(C(=O)NCc2c(O)cccc2O)CCCc2ccccc21 ZINC001652625801 1195628585 /nfs/dbraw/zinc/62/85/85/1195628585.db2.gz MLUKAVBHNBHLAR-LJQANCHMSA-N 0 0 311.381 3.008 20 10 DGCDRN CO[C@@H](CC(C)C)C(=O)NCc1c(O)ccc2ccccc21 ZINC001652709018 1195639759 /nfs/dbraw/zinc/63/97/59/1195639759.db2.gz SFUZJPPBDICJLY-KRWDZBQOSA-N 0 0 301.386 3.223 20 10 DGCDRN CCN(Cc1cnn(-c2ccccc2)n1)c1ccc(OC)cc1 ZINC001652788438 1195652944 /nfs/dbraw/zinc/65/29/44/1195652944.db2.gz KPFOTTJMCWYBKX-UHFFFAOYSA-N 0 0 308.385 3.302 20 10 DGCDRN CCOC(=O)c1cc(CN(CC)c2ccc(OCC)cc2)on1 ZINC001652845691 1195660520 /nfs/dbraw/zinc/66/05/20/1195660520.db2.gz RLJOLXORTYLHLL-UHFFFAOYSA-N 0 0 318.373 3.277 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]Cc1cnccc1C(F)(F)F ZINC001652856479 1195660899 /nfs/dbraw/zinc/66/08/99/1195660899.db2.gz ZNGIQFWPODAAGU-UHFFFAOYSA-N 0 0 318.245 3.374 20 10 DGCDRN O=C(CSc1ncc(Cl)s1)N1CCc2ccccc21 ZINC001652984653 1195677258 /nfs/dbraw/zinc/67/72/58/1195677258.db2.gz GQJVDEOLASZTQV-UHFFFAOYSA-N 0 0 310.831 3.478 20 10 DGCDRN COc1cc2c(c(OC)c1)N(CCCOC(F)(F)F)CCC2 ZINC001653903282 1195757891 /nfs/dbraw/zinc/75/78/91/1195757891.db2.gz DRKJOMUXKAKGDI-UHFFFAOYSA-N 0 0 319.323 3.383 20 10 DGCDRN O=C(c1c(F)ccc(O)c1O)N1CCC[C@H](C2CCCC2)C1 ZINC001654858826 1195847794 /nfs/dbraw/zinc/84/77/94/1195847794.db2.gz GZDNBIWAKXWVRH-LBPRGKRZSA-N 0 0 307.365 3.279 20 10 DGCDRN CCCOc1ccnc(NCc2ccc(N(C)C)c(F)c2)n1 ZINC001655049602 1195869500 /nfs/dbraw/zinc/86/95/00/1195869500.db2.gz WWQKFKQQQROOOB-UHFFFAOYSA-N 0 0 304.369 3.083 20 10 DGCDRN COC(=O)/C=C/c1ccc(N(C)[C@H](C)C2(C)CC2)c([N+](=O)[O-])c1 ZINC001655223614 1195893542 /nfs/dbraw/zinc/89/35/42/1195893542.db2.gz GVVYHJXWBNBIOF-WAFBPQNNSA-N 0 0 318.373 3.406 20 10 DGCDRN COC(=O)/C=C\c1ccc(N(C)[C@H](C)C2(C)CC2)c([N+](=O)[O-])c1 ZINC001655223617 1195893766 /nfs/dbraw/zinc/89/37/66/1195893766.db2.gz GVVYHJXWBNBIOF-XYLWRLHESA-N 0 0 318.373 3.406 20 10 DGCDRN CCOc1ccc(N(CC2CC2)C[C@H]2CCC3(COC3)O2)cc1 ZINC001655333198 1195904989 /nfs/dbraw/zinc/90/49/89/1195904989.db2.gz IBONTYKLZNDILQ-GOSISDBHSA-N 0 0 317.429 3.250 20 10 DGCDRN CCC(=O)c1ccc(N2Cc3cccc(O)c3C2)c([N+](=O)[O-])c1 ZINC001655788367 1195962540 /nfs/dbraw/zinc/96/25/40/1195962540.db2.gz RZMAEEOGZRUXOY-UHFFFAOYSA-N 0 0 312.325 3.413 20 10 DGCDRN Cc1cc(Br)cc(N2Cc3cccc(O)c3C2)n1 ZINC001655787653 1195962661 /nfs/dbraw/zinc/96/26/61/1195962661.db2.gz BWZCOPQDRVOUMF-UHFFFAOYSA-N 0 0 305.175 3.378 20 10 DGCDRN Cc1cc(CCNC(=O)OCCF)c(C)n1-c1ccccc1 ZINC001656253659 1196024410 /nfs/dbraw/zinc/02/44/10/1196024410.db2.gz ZQTJCTUBDMLXCP-UHFFFAOYSA-N 0 0 304.365 3.332 20 10 DGCDRN CCOC(=O)[C@H](C)N(C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC001656445212 1196041182 /nfs/dbraw/zinc/04/11/82/1196041182.db2.gz FWLHSTXHSGROQF-INIZCTEOSA-N 0 0 318.461 3.369 20 10 DGCDRN Cc1ccccc1NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001656809259 1196073016 /nfs/dbraw/zinc/07/30/16/1196073016.db2.gz PXELQIKPTCOMCR-UHFFFAOYSA-N 0 0 313.420 3.498 20 10 DGCDRN CN(c1ccc(CNCc2nccn2C)cc1)C1CCCCC1 ZINC001657000160 1196091316 /nfs/dbraw/zinc/09/13/16/1196091316.db2.gz MVNSQFIWWFKDII-UHFFFAOYSA-N 0 0 312.461 3.479 20 10 DGCDRN Cc1cc(NC/C=C\c2ccc(N(C)C)cc2)cc(C(N)=O)c1 ZINC001657404635 1196138181 /nfs/dbraw/zinc/13/81/81/1196138181.db2.gz UKCFJOWQNFOXGO-PLNGDYQASA-N 0 0 309.413 3.285 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC001657663389 1196165864 /nfs/dbraw/zinc/16/58/64/1196165864.db2.gz RGCMSMPDKKXWDL-UHFFFAOYSA-N 0 0 319.351 3.154 20 10 DGCDRN CNC(=O)Oc1cccc(NCc2cc(C)cc(OC)c2O)c1 ZINC001658182883 1196221944 /nfs/dbraw/zinc/22/19/44/1196221944.db2.gz YVISEPASSMFYRS-UHFFFAOYSA-N 0 0 316.357 3.040 20 10 DGCDRN [O-]c1c(C[N@@H+]2CCCN(c3ccccc3)CC2)ccc(F)c1F ZINC001658301268 1196237846 /nfs/dbraw/zinc/23/78/46/1196237846.db2.gz MJINBUNSOVQNPK-UHFFFAOYSA-N 0 0 318.367 3.383 20 10 DGCDRN COC(=O)[C@H](c1ccccc1)N(C)Cc1cc(F)c(F)cc1O ZINC001658512995 1196267166 /nfs/dbraw/zinc/26/71/66/1196267166.db2.gz CRBGCORBJQCIFJ-INIZCTEOSA-N 0 0 321.323 3.017 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC001658592307 1196277482 /nfs/dbraw/zinc/27/74/82/1196277482.db2.gz ZVGAOUPXGSUJEG-SUMWQHHRSA-N 0 0 312.404 3.306 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC001658599083 1196278904 /nfs/dbraw/zinc/27/89/04/1196278904.db2.gz TZEVWPVYESHNJJ-OAUYIBNBSA-N 0 0 305.299 3.237 20 10 DGCDRN COc1ccc(N(C)C[C@@H]2C[C@]2(C)Br)cc1F ZINC001658806577 1196304168 /nfs/dbraw/zinc/30/41/68/1196304168.db2.gz AQFIQHDMBQZCIG-ZANVPECISA-N 0 0 302.187 3.444 20 10 DGCDRN COC(=O)C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C(C)(C)C ZINC001658977920 1196327126 /nfs/dbraw/zinc/32/71/26/1196327126.db2.gz CFKSANIYTHRJNG-CYBMUJFWSA-N 0 0 317.788 3.252 20 10 DGCDRN CN(C)c1cc(F)c(CN2CCSC[C@@H]2C2CC2)cc1F ZINC001659261912 1196364088 /nfs/dbraw/zinc/36/40/88/1196364088.db2.gz DJOKYRLVCXKUIG-MRXNPFEDSA-N 0 0 312.429 3.358 20 10 DGCDRN CCCCC[C@@H](NCc1ccc(N(C)C)cc1C)C(=O)OC ZINC001659490852 1196389077 /nfs/dbraw/zinc/38/90/77/1196389077.db2.gz MNZPRFCLXPFNBA-QGZVFWFLSA-N 0 0 306.450 3.273 20 10 DGCDRN CC(C)[C@H](C[NH2+]Cc1cc(F)ccc1O)C(=O)OC(C)(C)C ZINC001659542884 1196394000 /nfs/dbraw/zinc/39/40/00/1196394000.db2.gz UEVNFEOHTDNGIF-AWEZNQCLSA-N 0 0 311.397 3.235 20 10 DGCDRN COc1cc(C)cc(CNc2cn(C)nc2-c2ccco2)c1O ZINC001659686835 1196405579 /nfs/dbraw/zinc/40/55/79/1196405579.db2.gz PBKRGEFJUCKVSE-UHFFFAOYSA-N 0 0 313.357 3.315 20 10 DGCDRN Cc1cccc2c1C[C@H]([NH2+]Cc1cc(F)c(F)cc1[O-])CO2 ZINC001659710074 1196407963 /nfs/dbraw/zinc/40/79/63/1196407963.db2.gz HHCKPENVKZUKRW-LBPRGKRZSA-N 0 0 305.324 3.072 20 10 DGCDRN C[C@@H]1CO[C@H](C(F)(F)F)CN1Cc1ccc(Cl)cc1O ZINC001659756720 1196411186 /nfs/dbraw/zinc/41/11/86/1196411186.db2.gz ZIIIYNULHKZYFI-PELKAZGASA-N 0 0 309.715 3.197 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC001659756345 1196411502 /nfs/dbraw/zinc/41/15/02/1196411502.db2.gz PFGLMZYTJMYIGY-DOMZBBRYSA-N 0 0 316.367 3.213 20 10 DGCDRN CCn1nc(C)c(C[N@H+](C)Cc2c(C)cc(OC)cc2O)c1C ZINC001659789852 1196414591 /nfs/dbraw/zinc/41/45/91/1196414591.db2.gz JOAXCOUMWNNZFR-UHFFFAOYSA-N 0 0 317.433 3.174 20 10 DGCDRN COC(C)(C)[C@H](C)[NH2+]Cc1cc(Br)cc(C)c1O ZINC001660051042 1196440900 /nfs/dbraw/zinc/44/09/00/1196440900.db2.gz DEFVWIQDDYIHLO-JTQLQIEISA-N 0 0 316.239 3.366 20 10 DGCDRN Cc1c(NC(=O)NCc2c(O)cccc2F)cccc1N(C)C ZINC001660191630 1196455695 /nfs/dbraw/zinc/45/56/95/1196455695.db2.gz CIPOJYUGPAHTAD-UHFFFAOYSA-N 0 0 317.364 3.227 20 10 DGCDRN COc1cc(NCc2cc(Cl)c(C)cc2O)cnc1OC ZINC001660300542 1196468971 /nfs/dbraw/zinc/46/89/71/1196468971.db2.gz QWQCFTNGTVOXOB-UHFFFAOYSA-N 0 0 308.765 3.378 20 10 DGCDRN CN1Cc2ccccc2[C@@H]1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC001660517203 1196493670 /nfs/dbraw/zinc/49/36/70/1196493670.db2.gz SHPJUHGEGNQXLR-INIZCTEOSA-N 0 0 320.795 3.461 20 10 DGCDRN CCOCc1cc(CNCc2csc(C)n2)ccc1OC ZINC001660846831 1196535320 /nfs/dbraw/zinc/53/53/20/1196535320.db2.gz JLKJWXVZEYGCAG-UHFFFAOYSA-N 0 0 306.431 3.286 20 10 DGCDRN COc1cccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC001661054815 1196559216 /nfs/dbraw/zinc/55/92/16/1196559216.db2.gz UFAZOHVQGGTVEX-LLVKDONJSA-N 0 0 302.330 3.160 20 10 DGCDRN COc1ccc(NCc2cc(F)cc(F)c2O)cc1NC(C)=O ZINC001661474389 1196609887 /nfs/dbraw/zinc/60/98/87/1196609887.db2.gz HYDSJGGMYLNLCN-UHFFFAOYSA-N 0 0 322.311 3.250 20 10 DGCDRN Cc1csc([C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C2CC2)n1 ZINC001661563022 1196619879 /nfs/dbraw/zinc/61/98/79/1196619879.db2.gz VAXAJGXOBKXCFC-CQSZACIVSA-N 0 0 319.386 3.306 20 10 DGCDRN CCC1(CC)[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])[C@H](C)[C@@H]1OC ZINC001662083586 1196679243 /nfs/dbraw/zinc/67/92/43/1196679243.db2.gz LVAUHFPGIWFWPK-XZJROXQQSA-N 0 0 322.405 3.230 20 10 DGCDRN FC(F)(Br)CNCc1ccc2c(c1)CCCO2 ZINC001662404404 1196717809 /nfs/dbraw/zinc/71/78/09/1196717809.db2.gz VZAUYRKRVGIXNY-UHFFFAOYSA-N 0 0 306.150 3.089 20 10 DGCDRN CCNC(=O)c1ccc(NCc2cc(F)cc(F)c2O)cc1 ZINC001662601300 1196732827 /nfs/dbraw/zinc/73/28/27/1196732827.db2.gz VFXVNDBPISSOFQ-UHFFFAOYSA-N 0 0 306.312 3.032 20 10 DGCDRN C[C@H]1CC[C@H]1NC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001662815407 1196755055 /nfs/dbraw/zinc/75/50/55/1196755055.db2.gz RNQTZYOQBZGIRN-QWHCGFSZSA-N 0 0 321.384 3.316 20 10 DGCDRN Cc1nocc1NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001663129018 1196795850 /nfs/dbraw/zinc/79/58/50/1196795850.db2.gz FATQHWCZYRIXJO-UHFFFAOYSA-N 0 0 314.389 3.247 20 10 DGCDRN O=C(NCc1c(O)cccc1F)Nc1nsc2ccccc21 ZINC001663167808 1196802932 /nfs/dbraw/zinc/80/29/32/1196802932.db2.gz MQWZRUZKKVQFKV-UHFFFAOYSA-N 0 0 317.345 3.463 20 10 DGCDRN COC(=O)c1c(C[N@@H+]2C[C@H](C)C[C@H]2C)c2cc(F)ccc2n1C ZINC001663591962 1196909816 /nfs/dbraw/zinc/90/98/16/1196909816.db2.gz YCJNATRBAMNENZ-VXGBXAGGSA-N 0 0 318.392 3.334 20 10 DGCDRN COc1ccc(N(C)Cc2cnn(CC3CCC3)c2)cc1F ZINC001664243298 1196982889 /nfs/dbraw/zinc/98/28/89/1196982889.db2.gz IQGONLPVUFUIJO-UHFFFAOYSA-N 0 0 303.381 3.467 20 10 DGCDRN C[C@H]1COc2ccccc2CN1Cc1ccc(F)c(F)c1[O-] ZINC001664270240 1196985096 /nfs/dbraw/zinc/98/50/96/1196985096.db2.gz PJQHCTYWGGGGEO-NSHDSACASA-N 0 0 305.324 3.454 20 10 DGCDRN CN(C)c1ccccc1NC(=O)NCc1cc(Cl)ccc1O ZINC001666592706 1197271365 /nfs/dbraw/zinc/27/13/65/1197271365.db2.gz AWXPYBWKRHMIIT-UHFFFAOYSA-N 0 0 319.792 3.433 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001667072804 1197314125 /nfs/dbraw/zinc/31/41/25/1197314125.db2.gz NZWQJCLIYAQVCN-UHFFFAOYSA-N 0 0 315.329 3.239 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC2C(C)(C)C2(C)C)cc1F ZINC001667682146 1197378496 /nfs/dbraw/zinc/37/84/96/1197378496.db2.gz JIKDIYMJFVCUGM-UHFFFAOYSA-N 0 0 307.413 3.126 20 10 DGCDRN C[C@@H](NC(=O)NCc1cccc2cc[nH]c21)c1ccccc1O ZINC001671694464 1197563889 /nfs/dbraw/zinc/56/38/89/1197563889.db2.gz SWCCJMYOCMNLLY-GFCCVEGCSA-N 0 0 309.369 3.434 20 10 DGCDRN CCc1ccc(NC(=O)NCc2ccc3c(c2)CCCN3C)nc1 ZINC001672702958 1197619906 /nfs/dbraw/zinc/61/99/06/1197619906.db2.gz RFUZXUNITODSGW-UHFFFAOYSA-N 0 0 324.428 3.348 20 10 DGCDRN COc1cc(F)ccc1NC(=O)N[C@@H](C)c1ccccc1O ZINC001672900997 1197627364 /nfs/dbraw/zinc/62/73/64/1197627364.db2.gz WRAWZXNQUWXZEH-JTQLQIEISA-N 0 0 304.321 3.423 20 10 DGCDRN CC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC001673173919 1197641626 /nfs/dbraw/zinc/64/16/26/1197641626.db2.gz FQXURKWZSAIESX-NSHDSACASA-N 0 0 313.357 3.233 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2C[C@H](SC)C2)cc1 ZINC001675532266 1198086360 /nfs/dbraw/zinc/08/63/60/1198086360.db2.gz INFLAMBIVRCLCJ-KOMQPUFPSA-N 0 0 321.490 3.226 20 10 DGCDRN Cc1ccccc1C[C@@H](C)NC(=O)NCc1c(O)cccc1F ZINC001676478053 1198332353 /nfs/dbraw/zinc/33/23/53/1198332353.db2.gz UOJXZZYNAMTTOF-CYBMUJFWSA-N 0 0 316.376 3.270 20 10 DGCDRN O=C(NCc1cc2ccccc2o1)N1Cc2cccc(O)c2C1 ZINC001676765381 1198383315 /nfs/dbraw/zinc/38/33/15/1198383315.db2.gz TZABCHMZQAPLIH-UHFFFAOYSA-N 0 0 308.337 3.364 20 10 DGCDRN O=C(NCCc1ccccc1F)NCc1cc(Cl)ccc1O ZINC001676869215 1198417043 /nfs/dbraw/zinc/41/70/43/1198417043.db2.gz ABWPZXBJSXNWOC-UHFFFAOYSA-N 0 0 322.767 3.227 20 10 DGCDRN O=C(NCCCc1cccc(F)c1)NCc1c(O)cccc1F ZINC001677114793 1198475283 /nfs/dbraw/zinc/47/52/83/1198475283.db2.gz NEBTVAXWDPWIRU-UHFFFAOYSA-N 0 0 320.339 3.102 20 10 DGCDRN CN1CCCc2cc(CNC(=O)NCC(C)(C)C3CC3)ccc21 ZINC001677536490 1198549487 /nfs/dbraw/zinc/54/94/87/1198549487.db2.gz YGNPZITUBCTLHV-UHFFFAOYSA-N 0 0 315.461 3.304 20 10 DGCDRN C[C@H](CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001677664434 1198571087 /nfs/dbraw/zinc/57/10/87/1198571087.db2.gz SXWMIXFYMOTVJQ-OAHLLOKOSA-N 0 0 315.461 3.474 20 10 DGCDRN O=C(NCCc1cccc(F)c1)NCc1cccc(Cl)c1O ZINC001677778918 1198588018 /nfs/dbraw/zinc/58/80/18/1198588018.db2.gz OZUIYKAXAVOVFJ-UHFFFAOYSA-N 0 0 322.767 3.227 20 10 DGCDRN O=C(NCCc1cc2ccccc2o1)N1Cc2cccc(O)c2C1 ZINC001679134128 1198763641 /nfs/dbraw/zinc/76/36/41/1198763641.db2.gz HFHGJKWEVGMJCW-UHFFFAOYSA-N 0 0 322.364 3.406 20 10 DGCDRN CC(C)O[C@H]1C[C@@H](NC(=O)N[C@H](C)c2ccccc2O)C1(C)C ZINC001681359723 1198992415 /nfs/dbraw/zinc/99/24/15/1198992415.db2.gz SRCZIGICWKOSAW-WQVCFCJDSA-N 0 0 320.433 3.345 20 10 DGCDRN CC(C)O[C@@H]1C[C@@H](NC(=O)N[C@H](C)c2ccccc2O)C1(C)C ZINC001681359720 1198992774 /nfs/dbraw/zinc/99/27/74/1198992774.db2.gz SRCZIGICWKOSAW-DAXOMENPSA-N 0 0 320.433 3.345 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCc2cccc(F)c2F)cc1 ZINC001682350703 1199153389 /nfs/dbraw/zinc/15/33/89/1199153389.db2.gz GPJOYIZBXGPJSH-UHFFFAOYSA-N 0 0 319.355 3.030 20 10 DGCDRN Cc1ccc(F)c(CCNC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001682405941 1199159625 /nfs/dbraw/zinc/15/96/25/1199159625.db2.gz BPNPFVOIWOPYGJ-ZDUSSCGKSA-N 0 0 316.376 3.443 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)NC[C@]12C[C@H]1CCCC2 ZINC001685297624 1199463283 /nfs/dbraw/zinc/46/32/83/1199463283.db2.gz FRVQCRYXFGGWGB-WBMJQRKESA-N 0 0 308.809 3.425 20 10 DGCDRN COC1(CNC(=O)N[C@H](C)c2ccccc2O)CCCCCC1 ZINC001685606946 1199494482 /nfs/dbraw/zinc/49/44/82/1199494482.db2.gz WTZQJQGJQXOQSK-CQSZACIVSA-N 0 0 320.433 3.492 20 10 DGCDRN Cc1cccc(NC(=O)c2cccc(O)c2O)c1Br ZINC000126182769 1200502831 /nfs/dbraw/zinc/50/28/31/1200502831.db2.gz SYPCGLSXAPSWHC-UHFFFAOYSA-N 0 0 322.158 3.421 20 10 DGCDRN Cc1c(C(=O)N(C)Cc2ccccc2O)cnn1C1CCCC1 ZINC000136462034 1201213427 /nfs/dbraw/zinc/21/34/27/1201213427.db2.gz LCHLCBVKGMLXQF-UHFFFAOYSA-N 0 0 313.401 3.284 20 10 DGCDRN Cc1cc(NS(=O)(=O)c2cccc3cnccc32)ccc1O ZINC000156401659 1202600568 /nfs/dbraw/zinc/60/05/68/1202600568.db2.gz MMFLSCIWZCPDFM-UHFFFAOYSA-N 0 0 314.366 3.050 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C=CCCC1 ZINC000157980401 1202603221 /nfs/dbraw/zinc/60/32/21/1202603221.db2.gz VMXFCLUJMNRUHC-MRXNPFEDSA-N 0 0 301.434 3.393 20 10 DGCDRN COc1ccc(-c2noc(/C=C/c3ccc(O)c(O)c3)n2)cc1 ZINC000185185907 1202844270 /nfs/dbraw/zinc/84/42/70/1202844270.db2.gz UKGOAGHHZJPSMD-YCRREMRBSA-N 0 0 310.309 3.327 20 10 DGCDRN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(N(C)C)c2)c1 ZINC000243977227 1203602333 /nfs/dbraw/zinc/60/23/33/1203602333.db2.gz SCOCTOKJYDFXSR-UHFFFAOYSA-N 0 0 304.415 3.170 20 10 DGCDRN Cc1nnc(N(C)Cc2ccccc2O)n1Cc1ccsc1 ZINC001726358144 1204293744 /nfs/dbraw/zinc/29/37/44/1204293744.db2.gz WCBGNLBUXNZQMO-UHFFFAOYSA-N 0 0 314.414 3.038 20 10 DGCDRN Cc1cc(C[N@@H+]2CCc3ccccc3[C@H]2C(=O)[O-])ccc1N(C)C ZINC001594302619 957921285 /nfs/dbraw/zinc/92/12/85/957921285.db2.gz ALSLTVQNEHFYGB-IBGZPJMESA-N 0 0 324.424 3.245 20 10 DGCDRN Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccc(C(=O)[O-])cc1 ZINC001594261959 959699177 /nfs/dbraw/zinc/69/91/77/959699177.db2.gz MQZCSMZRHMYCER-UHFFFAOYSA-N 0 0 308.381 3.475 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[NH2+][C@@](C)(C(=O)[O-])c1ccccc1 ZINC001333125031 961646469 /nfs/dbraw/zinc/64/64/69/961646469.db2.gz ORSJFVRNKMFARF-LJQANCHMSA-N 0 0 312.413 3.151 20 10 DGCDRN CN(C)c1cc(F)c(C[NH2+]Cc2cccc(C(=O)[O-])c2)cc1F ZINC001573991202 961828684 /nfs/dbraw/zinc/82/86/84/961828684.db2.gz CQRRFKLPTAWRQQ-UHFFFAOYSA-N 0 0 320.339 3.019 20 10 DGCDRN C[C@H](Cc1cccs1)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001592902825 979828919 /nfs/dbraw/zinc/82/89/19/979828919.db2.gz ORKYNMDQICQBDR-GHMZBOCLSA-N 0 0 305.399 3.434 20 10 DGCDRN C[C@H](Cc1cccs1)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001592902826 979829394 /nfs/dbraw/zinc/82/93/94/979829394.db2.gz ORKYNMDQICQBDR-MNOVXSKESA-N 0 0 305.399 3.434 20 10 DGCDRN CCC[C@@](C)([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)C(=O)[O-] ZINC001595559234 981440210 /nfs/dbraw/zinc/44/02/10/981440210.db2.gz FXCNSOHBLFAXPO-GOSISDBHSA-N 0 0 323.433 3.431 20 10 DGCDRN CCCC[N@H+](Cc1occc1C(=O)[O-])Cc1ccccc1O ZINC001595747212 982412839 /nfs/dbraw/zinc/41/28/39/982412839.db2.gz BLXCHDMCYOFVAM-UHFFFAOYSA-N 0 0 303.358 3.486 20 10 DGCDRN CCCc1nc(C)c(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)o1 ZINC001596083798 983406678 /nfs/dbraw/zinc/40/66/78/983406678.db2.gz VJKAQWPNEDQAJW-JTQLQIEISA-N 0 0 318.373 3.190 20 10 DGCDRN CCN(CC)c1ccc(C[N@H+](C)Cc2ccc(C(=O)[O-])o2)cc1 ZINC001596289541 983709741 /nfs/dbraw/zinc/70/97/41/983709741.db2.gz KRUFKSCYUXVQCM-UHFFFAOYSA-N 0 0 316.401 3.456 20 10 DGCDRN C=C/C=C\CC[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001588721639 983972941 /nfs/dbraw/zinc/97/29/41/983972941.db2.gz QXDRNXFRQJIIBW-PLNGDYQASA-N 0 0 302.349 3.238 20 10 DGCDRN CN(C)c1ccc(C[N@H+](Cc2occc2C(=O)[O-])C2CC2)cc1 ZINC001598317701 991306469 /nfs/dbraw/zinc/30/64/69/991306469.db2.gz KFHPDNDQWXAORM-UHFFFAOYSA-N 0 0 314.385 3.208 20 10 DGCDRN COc1ccc(O)c([C@H](C)[NH2+][C@@H](C(=O)[O-])c2ccccc2C)c1 ZINC001599598817 993786121 /nfs/dbraw/zinc/78/61/21/993786121.db2.gz UOGDYZXQZPFCMF-YVEFUNNKSA-N 0 0 315.369 3.186 20 10 DGCDRN C[C@@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1cc(C(=O)[O-])ccc1O ZINC001593208269 994223035 /nfs/dbraw/zinc/22/30/35/994223035.db2.gz AJEINNILGBRSTQ-PIGZYNQJSA-N 0 0 312.369 3.287 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CCSC(C)(C)C1)c1cc(C(=O)[O-])ccc1O ZINC001593232920 994388384 /nfs/dbraw/zinc/38/83/84/994388384.db2.gz QAWGULMUHHHGGB-PWSUYJOCSA-N 0 0 309.431 3.415 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cc(C(=O)[O-])co1 ZINC001593297889 994708152 /nfs/dbraw/zinc/70/81/52/994708152.db2.gz BPMNDRCSUKLKGM-ZDUSSCGKSA-N 0 0 314.385 3.429 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cc(C(=O)[O-])co1 ZINC001593304690 994752596 /nfs/dbraw/zinc/75/25/96/994752596.db2.gz PHVYVORBRPDPNU-LBPRGKRZSA-N 0 0 314.385 3.211 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccccc1CC(=O)[O-])c1ccc(N(C)C)cc1 ZINC001593305617 994765550 /nfs/dbraw/zinc/76/55/50/994765550.db2.gz YLLRKNMZBXZGID-CQSZACIVSA-N 0 0 312.413 3.231 20 10 DGCDRN COc1cc(C[NH2+][C@H]2CC[C@@H](C(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC001599417257 997531439 /nfs/dbraw/zinc/53/14/39/997531439.db2.gz SKZRCBLWGBZUAB-YPMHNXCESA-N 0 0 321.417 3.041 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)C[C@]1(C)O ZINC001237078397 1099957382 /nfs/dbraw/zinc/95/73/82/1099957382.db2.gz RRQOBTWZLSVETL-OTYXRUKQSA-N 0 0 304.217 3.292 20 10 DGCDRN CC1CCC(N(C(=O)Cc2ccc(O)c(O)c2)C2CC2)CC1 ZINC001625807375 1081646627 /nfs/dbraw/zinc/64/66/27/1081646627.db2.gz YMLDXHTZIICGAH-UHFFFAOYSA-N 0 0 303.402 3.210 20 10 DGCDRN COc1cc(NCc2ccc(O)c(O)c2)nc(-c2ccccc2)n1 ZINC001169993418 1081800630 /nfs/dbraw/zinc/80/06/30/1081800630.db2.gz OJVFXYVGKNEZIJ-UHFFFAOYSA-N 0 0 323.352 3.176 20 10 DGCDRN Cc1nc(NCc2ccc(O)c(O)c2)cc(-c2ccccc2)n1 ZINC001169993415 1081801221 /nfs/dbraw/zinc/80/12/21/1081801221.db2.gz OGHJXYWCTKLCQN-UHFFFAOYSA-N 0 0 307.353 3.475 20 10 DGCDRN Oc1ccc(CNc2ncnc3cccc(Cl)c32)cc1O ZINC001169993238 1081804952 /nfs/dbraw/zinc/80/49/52/1081804952.db2.gz JVIBNZUPBITHPC-UHFFFAOYSA-N 0 0 301.733 3.307 20 10 DGCDRN O=[N+]([O-])c1ccc2nc(NCc3ccc(O)c(O)c3)ccc2c1 ZINC001169993761 1081807582 /nfs/dbraw/zinc/80/75/82/1081807582.db2.gz QYXKDNIQFGKPMA-UHFFFAOYSA-N 0 0 311.297 3.166 20 10 DGCDRN CC(C)(C)c1cnc(NCc2ccc(O)c(O)c2)c([N+](=O)[O-])c1 ZINC001169994145 1081812302 /nfs/dbraw/zinc/81/23/02/1081812302.db2.gz ZZLQBSXIKIPROP-UHFFFAOYSA-N 0 0 317.345 3.311 20 10 DGCDRN Oc1ccc(CNc2c(Cl)nc(Cl)nc2Cl)cc1O ZINC001169994497 1081814710 /nfs/dbraw/zinc/81/47/10/1081814710.db2.gz BPKZDAFZHDCZHT-UHFFFAOYSA-N 0 0 320.563 3.460 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2noc3c2CC(C)(C)CC3)c1 ZINC001167294136 1081914198 /nfs/dbraw/zinc/91/41/98/1081914198.db2.gz ZZFFWFYTKGCASY-UHFFFAOYSA-N 0 0 314.385 3.134 20 10 DGCDRN Oc1cc(O)c(CCNc2ncc(Cl)cc2Cl)cc1O ZINC001157239666 1081996033 /nfs/dbraw/zinc/99/60/33/1081996033.db2.gz INXGQDNRJBWVTD-UHFFFAOYSA-N 0 0 315.156 3.160 20 10 DGCDRN Nc1ccc(OCCOc2ccc(NC3=CCOC3)cc2)cc1 ZINC001203395091 1082012462 /nfs/dbraw/zinc/01/24/62/1082012462.db2.gz PXZZRGCSQPIWJI-UHFFFAOYSA-N 0 0 312.369 3.053 20 10 DGCDRN C/C(=C/c1cccnc1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001125469663 1082105312 /nfs/dbraw/zinc/10/53/12/1082105312.db2.gz XNBSYOFPKKELDS-LCYFTJDESA-N 0 0 313.376 3.006 20 10 DGCDRN CCc1ccc(CNC(=O)/C=C\c2ccc(O)c(O)c2)s1 ZINC000588403441 1082146981 /nfs/dbraw/zinc/14/69/81/1082146981.db2.gz IZMQMPWSMCMXSJ-YWEYNIOJSA-N 0 0 303.383 3.051 20 10 DGCDRN C[C@@H](c1cccs1)N(C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403558 1082147499 /nfs/dbraw/zinc/14/74/99/1082147499.db2.gz PEPOGYSJZVFRFP-JYKYSHPRSA-N 0 0 303.383 3.392 20 10 DGCDRN C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(F)cc1F ZINC000588403772 1082147615 /nfs/dbraw/zinc/14/76/15/1082147615.db2.gz OQHGNBZXPCRYLO-WXGCRTCVSA-N 0 0 319.307 3.267 20 10 DGCDRN CN(Cc1cccc(Cl)c1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403526 1082147691 /nfs/dbraw/zinc/14/76/91/1082147691.db2.gz NECPMZMGZBVASL-VURMDHGXSA-N 0 0 317.772 3.423 20 10 DGCDRN C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@@H](C)c1ccccc1 ZINC000588405172 1082149768 /nfs/dbraw/zinc/14/97/68/1082149768.db2.gz NTXSPAHZFBFRGY-PAZCZOEESA-N 0 0 311.381 3.419 20 10 DGCDRN CC(C)(NC(=O)/C=C\c1ccc(O)c(O)c1)c1cccc(F)c1 ZINC000588407022 1082154817 /nfs/dbraw/zinc/15/48/17/1082154817.db2.gz LNZOBSFTIBXHTG-CLFYSBASSA-N 0 0 315.344 3.302 20 10 DGCDRN COC(=O)c1cccc2c1CN(Cc1ccc(Cl)cc1O)C2 ZINC001140466481 1082287348 /nfs/dbraw/zinc/28/73/48/1082287348.db2.gz HEIFRQDRBRYDNB-UHFFFAOYSA-N 0 0 317.772 3.348 20 10 DGCDRN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000588449297 1082322175 /nfs/dbraw/zinc/32/21/75/1082322175.db2.gz UEYZXSBWAZRAHW-UQXCZLMFSA-N 0 0 324.380 3.116 20 10 DGCDRN O=C(CNc1cncc2c(F)cccc12)c1ccc(O)c(O)c1 ZINC001170321653 1082345294 /nfs/dbraw/zinc/34/52/94/1082345294.db2.gz BSLHNGTUNCCKFZ-UHFFFAOYSA-N 0 0 312.300 3.080 20 10 DGCDRN COc1cc(Cl)cc(C)c1NCC(=O)c1ccc(O)c(O)c1 ZINC001170315826 1082345344 /nfs/dbraw/zinc/34/53/44/1082345344.db2.gz HGVIHLSKFOOVBO-UHFFFAOYSA-N 0 0 321.760 3.363 20 10 DGCDRN O=C(CNc1cc(F)cc2cc[nH]c21)c1ccc(O)c(O)c1 ZINC001170314892 1082345357 /nfs/dbraw/zinc/34/53/57/1082345357.db2.gz KCPVAJKGRWQCTK-UHFFFAOYSA-N 0 0 300.289 3.013 20 10 DGCDRN Cc1cc(NCC(=O)c2ccc(O)c(O)c2)cc2cccnc12 ZINC001170322144 1082346627 /nfs/dbraw/zinc/34/66/27/1082346627.db2.gz FUAOUQYOHXOVBG-UHFFFAOYSA-N 0 0 308.337 3.249 20 10 DGCDRN COc1ccc(F)c(F)c1CN1CCc2cccc(O)c2C1 ZINC001143412622 1082351059 /nfs/dbraw/zinc/35/10/59/1082351059.db2.gz CGBHGHJVBZBBGJ-UHFFFAOYSA-N 0 0 305.324 3.237 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCCc2sccc21 ZINC000588479653 1082428455 /nfs/dbraw/zinc/42/84/55/1082428455.db2.gz FBWGPLJCDLOJPO-SCXUMTSISA-N 0 0 315.394 3.366 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCO[C@@H]1CC1(F)F ZINC000690730191 1082429338 /nfs/dbraw/zinc/42/93/38/1082429338.db2.gz HXHRERWDAVWTCN-SNVBAGLBSA-N 0 0 312.143 3.213 20 10 DGCDRN C[C@@H](N(C)C(=O)NCc1ccc2c(c1)CCCN2C)C1(C)CC1 ZINC000176466186 1082663692 /nfs/dbraw/zinc/66/36/92/1082663692.db2.gz UBEKYIAADVMQSN-CQSZACIVSA-N 0 0 315.461 3.399 20 10 DGCDRN Oc1cccc2c1CN(Cc1ncc(Cl)nc1Cl)CC2 ZINC001141138260 1083356198 /nfs/dbraw/zinc/35/61/98/1083356198.db2.gz HHKMSXBTZPKVDK-UHFFFAOYSA-N 0 0 310.184 3.047 20 10 DGCDRN Cc1cc(C(=O)NCc2cnccn2)c(C)n1-c1cccc(C)c1 ZINC001180915769 1083368049 /nfs/dbraw/zinc/36/80/49/1083368049.db2.gz WNDOUCTTYKQTPP-UHFFFAOYSA-N 0 0 320.396 3.123 20 10 DGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)C[C@@H]2CCOC2)cc1 ZINC001180922746 1083369029 /nfs/dbraw/zinc/36/90/29/1083369029.db2.gz WZVOGOSXHKSYRL-INIZCTEOSA-N 0 0 310.397 3.229 20 10 DGCDRN Cc1ccc(CNc2ccc(F)c(N3CCOC3=O)c2)c(O)c1 ZINC001181400497 1083467591 /nfs/dbraw/zinc/46/75/91/1083467591.db2.gz UCTTYRQMECEYGU-UHFFFAOYSA-N 0 0 316.332 3.408 20 10 DGCDRN CCc1ccc2c(c1)CN(C(=O)/C=C/c1ccc(O)c(O)c1)CC2 ZINC001181680829 1083516462 /nfs/dbraw/zinc/51/64/62/1083516462.db2.gz UQVDDLLNKYIUOQ-VMPITWQZSA-N 0 0 323.392 3.258 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2cc(O)c(F)cc2F)cc1 ZINC001625897240 1083520517 /nfs/dbraw/zinc/52/05/17/1083520517.db2.gz WNYMUFUCQBQLNE-UHFFFAOYSA-N 0 0 320.255 3.085 20 10 DGCDRN CC[C@@H](C)[NH+]1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001181786163 1083538372 /nfs/dbraw/zinc/53/83/72/1083538372.db2.gz IIWMKSRGYLTUEF-LLVKDONJSA-N 0 0 300.805 3.101 20 10 DGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)[C@H]2CCC(=O)C2)cc1 ZINC001181884392 1083571833 /nfs/dbraw/zinc/57/18/33/1083571833.db2.gz XGZUOIVGVAMHNS-HNNXBMFYSA-N 0 0 308.381 3.171 20 10 DGCDRN C[C@H]1CN(C(=O)CCc2ccc(O)c(O)c2)Cc2ccccc21 ZINC001182155581 1083634562 /nfs/dbraw/zinc/63/45/62/1083634562.db2.gz ZLCZCONYQXIJIO-ZDUSSCGKSA-N 0 0 311.381 3.176 20 10 DGCDRN CC(C)(CNC(=O)CCc1ccc(O)c(O)c1)CC(F)(F)F ZINC001182157206 1083635917 /nfs/dbraw/zinc/63/59/17/1083635917.db2.gz LNZFDZNGZRXKRB-UHFFFAOYSA-N 0 0 319.323 3.125 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCc2ccccc2C1 ZINC001126081532 1083794497 /nfs/dbraw/zinc/79/44/97/1083794497.db2.gz DIMMPJDEDPSBMK-GOSISDBHSA-N 0 0 322.452 3.482 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@H](O)C(C)(C)C ZINC001182747407 1083794741 /nfs/dbraw/zinc/79/47/41/1083794741.db2.gz AMTIOPWEUJRSGV-JKSUJKDBSA-N 0 0 319.445 3.156 20 10 DGCDRN O=C(N1CCc2cccc(O)c2C1)C(F)(F)c1ccc(F)cc1 ZINC001182888582 1083831398 /nfs/dbraw/zinc/83/13/98/1083831398.db2.gz DJBDBTCMLIFMEK-UHFFFAOYSA-N 0 0 321.298 3.208 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)CSC(C)=O ZINC001183130141 1083875082 /nfs/dbraw/zinc/87/50/82/1083875082.db2.gz SHDCRTATQPLBGJ-CYBMUJFWSA-N 0 0 322.474 3.017 20 10 DGCDRN CC(=O)[C@@H](C)CC(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001184346699 1084165994 /nfs/dbraw/zinc/16/59/94/1084165994.db2.gz FBPZRVIMZGRPMJ-XTZNXHDOSA-N 0 0 317.429 3.364 20 10 DGCDRN CC(C)(C)c1ccnc(C(=O)N2CCc3cccc(O)c3C2)c1 ZINC001184555586 1084210886 /nfs/dbraw/zinc/21/08/86/1084210886.db2.gz NEOVWLFYRGDRNY-UHFFFAOYSA-N 0 0 310.397 3.283 20 10 DGCDRN CN(C)c1ccc([C@H](O)c2nc(-c3ccc(F)cc3)no2)cc1 ZINC001211704163 1084283670 /nfs/dbraw/zinc/28/36/70/1084283670.db2.gz OVVVJRNDQGLBRM-HNNXBMFYSA-N 0 0 313.332 3.023 20 10 DGCDRN COc1ccc(N(C)C[C@@H]2COC3(CCCCC3)O2)cc1F ZINC001167880548 1084379547 /nfs/dbraw/zinc/37/95/47/1084379547.db2.gz CIAVXCYXYFPLOZ-CQSZACIVSA-N 0 0 309.381 3.346 20 10 DGCDRN CCc1cc(N[C@@H](C)c2cc(OC)ccc2O)nc(CC)n1 ZINC001185291048 1084405929 /nfs/dbraw/zinc/40/59/29/1084405929.db2.gz RXRHAHXRFGTVBX-NSHDSACASA-N 0 0 301.390 3.489 20 10 DGCDRN COc1ccc(CNC(=O)NCc2c(C)cc(C)cc2O)cc1 ZINC001185575583 1084476340 /nfs/dbraw/zinc/47/63/40/1084476340.db2.gz ODDHMXHVPSVOBI-UHFFFAOYSA-N 0 0 314.385 3.017 20 10 DGCDRN CCN(Cc1ccccc1O)C(=O)NCc1ccc(OC)cc1 ZINC001185533937 1084477175 /nfs/dbraw/zinc/47/71/75/1084477175.db2.gz PPTJSEFOSVLZSZ-UHFFFAOYSA-N 0 0 314.385 3.133 20 10 DGCDRN COc1nc(C)cc(N[C@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC001186729926 1084693181 /nfs/dbraw/zinc/69/31/81/1084693181.db2.gz JMAJTXJGVOIMJG-CYBMUJFWSA-N 0 0 314.433 3.211 20 10 DGCDRN CSc1ccccc1NC(=O)NCc1ccc(O)c(O)c1 ZINC001186762194 1084697291 /nfs/dbraw/zinc/69/72/91/1084697291.db2.gz IRAFYLBADCTQIJ-UHFFFAOYSA-N 0 0 304.371 3.141 20 10 DGCDRN Cc1c[nH]nc1NC(=O)c1cc(-n2c(C)ccc2C)ccc1O ZINC001186831153 1084711196 /nfs/dbraw/zinc/71/11/96/1084711196.db2.gz XADAFCMDEJSLAP-UHFFFAOYSA-N 0 0 310.357 3.084 20 10 DGCDRN Oc1cc(O)c(CCNc2ccccc2OC(F)F)cc1O ZINC001168005943 1086154271 /nfs/dbraw/zinc/15/42/71/1086154271.db2.gz PNHQJHFGJIGCAQ-UHFFFAOYSA-N 0 0 311.284 3.059 20 10 DGCDRN CCCOc1ccc(NCCc2cc(O)c(O)cc2O)c(F)c1 ZINC001168013538 1086254013 /nfs/dbraw/zinc/25/40/13/1086254013.db2.gz HANBYSKRPJITQB-UHFFFAOYSA-N 0 0 321.348 3.386 20 10 DGCDRN COC(=O)c1cccc(C[N@H+](C)Cc2cc(F)c(F)cc2[O-])c1 ZINC001142527413 1087278030 /nfs/dbraw/zinc/27/80/30/1087278030.db2.gz UCKRSRGDBOZKEF-UHFFFAOYSA-N 0 0 321.323 3.089 20 10 DGCDRN Oc1ccc(Cl)cc1CN1CCO[C@H](CC(F)(F)F)C1 ZINC000698221351 1087547441 /nfs/dbraw/zinc/54/74/41/1087547441.db2.gz LVNCWFWEFWSBIF-LLVKDONJSA-N 0 0 309.715 3.199 20 10 DGCDRN Cc1c(C(=O)N[C@@H](C)c2ccccc2O)cccc1[N+](=O)[O-] ZINC001151892726 1087816062 /nfs/dbraw/zinc/81/60/62/1087816062.db2.gz XRFVLDCLMOPVAR-NSHDSACASA-N 0 0 300.314 3.100 20 10 DGCDRN O=C(c1cc(O)ccc1C(F)(F)F)N1Cc2cccc(O)c2C1 ZINC001152572349 1088007207 /nfs/dbraw/zinc/00/72/07/1088007207.db2.gz BHSLBXJQRNNVSD-UHFFFAOYSA-N 0 0 323.270 3.273 20 10 DGCDRN Oc1ccc(CNc2ccc(-c3ccc(F)cc3)nn2)cc1O ZINC001158997809 1088124872 /nfs/dbraw/zinc/12/48/72/1088124872.db2.gz PAGYJSIPCXSPIW-UHFFFAOYSA-N 0 0 311.316 3.306 20 10 DGCDRN COC(=O)c1cc2ccccc2nc1NCc1ccc(O)c(O)c1 ZINC001158996114 1088126359 /nfs/dbraw/zinc/12/63/59/1088126359.db2.gz WBTFZGCCKRUQOR-UHFFFAOYSA-N 0 0 324.336 3.045 20 10 DGCDRN Cc1cc(Cl)nc(C(F)(F)NCc2ccc(O)c(O)c2)c1 ZINC001158996194 1088126505 /nfs/dbraw/zinc/12/65/05/1088126505.db2.gz ZQGFUWXBGFXKFV-UHFFFAOYSA-N 0 0 314.719 3.294 20 10 DGCDRN Oc1ccc(CNc2ccc(-c3cccc(F)c3)nn2)cc1O ZINC001158997821 1088126659 /nfs/dbraw/zinc/12/66/59/1088126659.db2.gz PMLPDUGEXZWZQB-UHFFFAOYSA-N 0 0 311.316 3.306 20 10 DGCDRN Oc1ccc(CNc2cncc(-c3ccc(F)cc3)n2)cc1O ZINC001159004013 1088132220 /nfs/dbraw/zinc/13/22/20/1088132220.db2.gz CECAMNGWCOWVJC-UHFFFAOYSA-N 0 0 311.316 3.306 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccccc1OCCF ZINC001159083498 1088171954 /nfs/dbraw/zinc/17/19/54/1088171954.db2.gz DPNYITKUUIZGCE-VURMDHGXSA-N 0 0 317.316 3.098 20 10 DGCDRN CCOC(=O)c1sc(SC)nc1Nc1ccc(N)cc1 ZINC001159232980 1088247738 /nfs/dbraw/zinc/24/77/38/1088247738.db2.gz GHKZUJPNKHLKRX-UHFFFAOYSA-N 0 0 309.416 3.368 20 10 DGCDRN Cc1cccc2ccc(NCC(=O)c3ccc(O)c(O)c3)nc12 ZINC001159272028 1088266292 /nfs/dbraw/zinc/26/62/92/1088266292.db2.gz IQESNYVWQGQTAX-UHFFFAOYSA-N 0 0 308.337 3.249 20 10 DGCDRN O=C(CNc1cc2ccsc2cn1)c1ccc(O)c(O)c1 ZINC001159278946 1088268316 /nfs/dbraw/zinc/26/83/16/1088268316.db2.gz GSPMYYAUGKELFM-UHFFFAOYSA-N 0 0 300.339 3.002 20 10 DGCDRN O=C(CNc1ccc2cccc(F)c2n1)c1ccc(O)c(O)c1 ZINC001159278837 1088268626 /nfs/dbraw/zinc/26/86/26/1088268626.db2.gz DHFZFUVUPVUUIJ-UHFFFAOYSA-N 0 0 312.300 3.080 20 10 DGCDRN Cc1cc(Cl)c(C)c(NCC(=O)c2ccc(O)c(O)c2)n1 ZINC001159279724 1088269452 /nfs/dbraw/zinc/26/94/52/1088269452.db2.gz WDBIIXVTSFXNAY-UHFFFAOYSA-N 0 0 306.749 3.058 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1cc2cc(Cl)ccc2[nH]1 ZINC001153791451 1088362782 /nfs/dbraw/zinc/36/27/82/1088362782.db2.gz CWPNFODDGVQZEL-UHFFFAOYSA-N 0 0 316.744 3.163 20 10 DGCDRN CC(C)(C)c1ccc(CNC(=O)Cc2ccc(O)c(O)c2)s1 ZINC001154307475 1088559830 /nfs/dbraw/zinc/55/98/30/1088559830.db2.gz HNVANDGJQHTRLG-UHFFFAOYSA-N 0 0 319.426 3.316 20 10 DGCDRN Cc1ncc([N+](=O)[O-])c(NCc2cc3ccccc3cc2O)n1 ZINC001160205773 1088696868 /nfs/dbraw/zinc/69/68/68/1088696868.db2.gz ATYPWFYSJVEIPN-UHFFFAOYSA-N 0 0 310.313 3.164 20 10 DGCDRN CCN(Cc1ccccc1O)C(F)(F)c1cncc(Cl)n1 ZINC001154888728 1088810421 /nfs/dbraw/zinc/81/04/21/1088810421.db2.gz JOHODWBFGXQTJK-UHFFFAOYSA-N 0 0 313.735 3.407 20 10 DGCDRN CCN(Cc1ccccc1O)c1cncc(N2CCCCC2)n1 ZINC001154889109 1088811467 /nfs/dbraw/zinc/81/14/67/1088811467.db2.gz OOHXECSLTUZFLB-UHFFFAOYSA-N 0 0 312.417 3.199 20 10 DGCDRN CCN(Cc1ccccc1O)c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001154889813 1088814122 /nfs/dbraw/zinc/81/41/22/1088814122.db2.gz IBAQHFHQEPMXIL-UHFFFAOYSA-N 0 0 324.340 3.270 20 10 DGCDRN CCN(Cc1ccccc1O)c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001154890056 1088814265 /nfs/dbraw/zinc/81/42/65/1088814265.db2.gz PFNOFQPGMMMUPI-UHFFFAOYSA-N 0 0 324.340 3.270 20 10 DGCDRN CCN(Cc1ccccc1O)c1ncc2cccc(OC)c2n1 ZINC001154889286 1088814688 /nfs/dbraw/zinc/81/46/88/1088814688.db2.gz URBMVFGKPURPSB-UHFFFAOYSA-N 0 0 309.369 3.371 20 10 DGCDRN CCOC(=O)c1cc(F)cnc1N(CC)Cc1ccccc1O ZINC001154889737 1088814839 /nfs/dbraw/zinc/81/48/39/1088814839.db2.gz GKAFVKHPPZUHPV-UHFFFAOYSA-N 0 0 318.348 3.130 20 10 DGCDRN COC(=O)c1cc(Cl)cnc1NCc1cccc(C)c1O ZINC001160765042 1088949150 /nfs/dbraw/zinc/94/91/50/1088949150.db2.gz QSRMJPXIJSQWAP-UHFFFAOYSA-N 0 0 306.749 3.148 20 10 DGCDRN Cc1cccc(CNc2ncc(C(=O)N(C)C)cc2Cl)c1O ZINC001160769980 1088950604 /nfs/dbraw/zinc/95/06/04/1088950604.db2.gz ONEKOFQDURNUJB-UHFFFAOYSA-N 0 0 319.792 3.063 20 10 DGCDRN COC(=O)c1nc(NCc2cccc(C)c2O)ccc1Cl ZINC001160769067 1088951690 /nfs/dbraw/zinc/95/16/90/1088951690.db2.gz JGZYAMLEUXDNOA-UHFFFAOYSA-N 0 0 306.749 3.148 20 10 DGCDRN Cc1cc(NCc2cccc(C)c2O)nc(-c2ccccn2)n1 ZINC001160770592 1088951706 /nfs/dbraw/zinc/95/17/06/1088951706.db2.gz ZLGVKDWHKWZHQD-UHFFFAOYSA-N 0 0 306.369 3.473 20 10 DGCDRN Nc1ccc(CC(=O)N2CCC[C@H]2c2ccc(F)cc2F)cc1 ZINC001160943091 1089032116 /nfs/dbraw/zinc/03/21/16/1089032116.db2.gz HRXHEOPMLYFVIH-KRWDZBQOSA-N 0 0 316.351 3.453 20 10 DGCDRN Cc1cccc2ncc(N3CCCc4cc(O)c(O)cc4C3)nc12 ZINC001155941783 1089305941 /nfs/dbraw/zinc/30/59/41/1089305941.db2.gz ZBBVKORMZXHXKD-UHFFFAOYSA-N 0 0 321.380 3.302 20 10 DGCDRN CSCc1ccnc(N2CCCc3cc(O)c(O)cc3C2)c1 ZINC001155947935 1089309441 /nfs/dbraw/zinc/30/94/41/1089309441.db2.gz GGNKREBZWZOGKQ-UHFFFAOYSA-N 0 0 316.426 3.309 20 10 DGCDRN Cc1ccc(SCC(=O)NCc2c(O)cccc2F)cc1 ZINC001156163931 1089414805 /nfs/dbraw/zinc/41/48/05/1089414805.db2.gz GDIIHMCNDYXUSM-UHFFFAOYSA-N 0 0 305.374 3.248 20 10 DGCDRN Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1OC(C)C ZINC001156359516 1089488918 /nfs/dbraw/zinc/48/89/18/1089488918.db2.gz JUWWGEPPSAKDSJ-UHFFFAOYSA-N 0 0 315.369 3.375 20 10 DGCDRN Cc1ccc2cc(C(=O)NCc3ccccc3O)cc(C)c2n1 ZINC001156653992 1089628510 /nfs/dbraw/zinc/62/85/10/1089628510.db2.gz PJDPRLUGTNZBHH-UHFFFAOYSA-N 0 0 306.365 3.487 20 10 DGCDRN CC(C)c1nc2ccccn2c1NC(=O)c1cccc(O)c1O ZINC001156663238 1089629566 /nfs/dbraw/zinc/62/95/66/1089629566.db2.gz JOUDVPVOPMPZSR-UHFFFAOYSA-N 0 0 311.341 3.121 20 10 DGCDRN COc1nc(Cl)nc(C)c1N(C)Cc1ccc(N(C)C)cc1 ZINC001156923822 1089745111 /nfs/dbraw/zinc/74/51/11/1089745111.db2.gz HIYCTEKIHRGTGV-UHFFFAOYSA-N 0 0 320.824 3.149 20 10 DGCDRN CN(C)c1ccc(CN(C)c2nc(Cl)nc3c2CCC3)cc1 ZINC001156924033 1089745688 /nfs/dbraw/zinc/74/56/88/1089745688.db2.gz LTNGRMXBOVCKPI-UHFFFAOYSA-N 0 0 316.836 3.321 20 10 DGCDRN Cc1c(C)c(N(C)Cc2ccc(N(C)C)cc2)ncc1[N+](=O)[O-] ZINC001156921303 1089746242 /nfs/dbraw/zinc/74/62/42/1089746242.db2.gz WYDGYORVLYJWPF-UHFFFAOYSA-N 0 0 314.389 3.309 20 10 DGCDRN O=C(CSc1ccncc1)NCc1c(O)ccc2ccccc21 ZINC001157037260 1089793819 /nfs/dbraw/zinc/79/38/19/1089793819.db2.gz PZSNEHWBSQVOPT-UHFFFAOYSA-N 0 0 324.405 3.349 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cc2n(n1)CCCC2 ZINC001157041764 1089797562 /nfs/dbraw/zinc/79/75/62/1089797562.db2.gz MPXYWLRCOTWHJJ-UHFFFAOYSA-N 0 0 321.380 3.008 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2CC[C@@H]2C)c1 ZINC001157137994 1089837687 /nfs/dbraw/zinc/83/76/87/1089837687.db2.gz VSVQOOXXTRQMOA-KPZWWZAWSA-N 0 0 310.397 3.435 20 10 DGCDRN COc1ccc2nc(Cl)nc(NCc3ccc(N)cc3)c2c1 ZINC001162784288 1089951959 /nfs/dbraw/zinc/95/19/59/1089951959.db2.gz JDECHPLBELUZBI-UHFFFAOYSA-N 0 0 314.776 3.486 20 10 DGCDRN Nc1ccc(CNC(F)(F)c2nc(Cl)ncc2Cl)cc1 ZINC001162784324 1089954681 /nfs/dbraw/zinc/95/46/81/1089954681.db2.gz KSWTWISEZVJXRG-UHFFFAOYSA-N 0 0 319.142 3.205 20 10 DGCDRN COc1ccc(C(F)(F)NCc2ccc(N)cc2)c(Cl)n1 ZINC001162785859 1089955591 /nfs/dbraw/zinc/95/55/91/1089955591.db2.gz MKHVPPJAWWHFHQ-UHFFFAOYSA-N 0 0 313.735 3.165 20 10 DGCDRN COC(=O)c1ccc2nc(NCc3ccc(N)cc3)ccc2c1 ZINC001162786473 1089956757 /nfs/dbraw/zinc/95/67/57/1089956757.db2.gz XLMDDSUXEHOVCO-UHFFFAOYSA-N 0 0 307.353 3.216 20 10 DGCDRN Nc1ccc(CNc2cc(-c3nc(C4CC4)no3)ccn2)cc1 ZINC001162787414 1089957538 /nfs/dbraw/zinc/95/75/38/1089957538.db2.gz KGSOOKKCADIEAE-UHFFFAOYSA-N 0 0 307.357 3.203 20 10 DGCDRN Cc1cncc(NCc2cc(Cl)c3cccnc3c2O)n1 ZINC001157724891 1090088660 /nfs/dbraw/zinc/08/86/60/1090088660.db2.gz XRVOOBJOYSKHHC-UHFFFAOYSA-N 0 0 300.749 3.304 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC(=O)[C@H]2C)cc1 ZINC001157961031 1090157940 /nfs/dbraw/zinc/15/79/40/1090157940.db2.gz ABNUSKOBHYJZPT-OAHLLOKOSA-N 0 0 310.397 3.288 20 10 DGCDRN [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CCC[C@](F)(CO)CC1 ZINC001237077062 1090283487 /nfs/dbraw/zinc/28/34/87/1090283487.db2.gz CDGILANHYWQDMB-CQSZACIVSA-N 0 0 322.207 3.386 20 10 DGCDRN Fc1cc(-c2noc(-c3csnn3)n2)cc(F)c1Cl ZINC001212362118 1090574757 /nfs/dbraw/zinc/57/47/57/1090574757.db2.gz NPXCPWILNXKXDD-UHFFFAOYSA-N 0 0 300.677 3.187 20 10 DGCDRN CCCCOc1ccc(-c2noc(-c3csnn3)n2)cc1 ZINC001212364165 1090578478 /nfs/dbraw/zinc/57/84/78/1090578478.db2.gz HTQCUTCCXPJAKW-UHFFFAOYSA-N 0 0 302.359 3.434 20 10 DGCDRN Nc1ncccc1Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001212398382 1090620893 /nfs/dbraw/zinc/62/08/93/1090620893.db2.gz QRSCETINBHEHGB-UHFFFAOYSA-N 0 0 315.332 3.183 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2ncccc2F)C1 ZINC001166819352 1090662288 /nfs/dbraw/zinc/66/22/88/1090662288.db2.gz ZFDBTJYRIKZAEP-UHFFFAOYSA-N 0 0 311.360 3.284 20 10 DGCDRN CC1(C)CCC[C@](O)(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC001203363729 1090725890 /nfs/dbraw/zinc/72/58/90/1090725890.db2.gz VOGCHVPZZRAACG-QGZVFWFLSA-N 0 0 322.405 3.111 20 10 DGCDRN CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@H+](Cc2ccccc2O)C1 ZINC001203550395 1090753179 /nfs/dbraw/zinc/75/31/79/1090753179.db2.gz UXDBSNGRSSJUNN-SFHVURJKSA-N 0 0 320.433 3.271 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@]1(C)O ZINC001203574472 1090759498 /nfs/dbraw/zinc/75/94/98/1090759498.db2.gz XVWRLBURNRDLRK-OTYXRUKQSA-N 0 0 304.217 3.292 20 10 DGCDRN C[C@@]1(O)CCCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203574384 1090759903 /nfs/dbraw/zinc/75/99/03/1090759903.db2.gz URWSRWKERVFICH-CQSZACIVSA-N 0 0 304.217 3.436 20 10 DGCDRN CC[N@H+](CCn1cccn1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203582164 1090761567 /nfs/dbraw/zinc/76/15/67/1090761567.db2.gz UGHMYJHGAXMGBD-UHFFFAOYSA-N 0 0 314.216 3.418 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCc2cnc3ccccc3c2)c1 ZINC001203598764 1090764806 /nfs/dbraw/zinc/76/48/06/1090764806.db2.gz WEIXNQOTZLJHQF-UHFFFAOYSA-N 0 0 323.352 3.181 20 10 DGCDRN Cc1ccc(N2CCN(Cc3ccc(O)c(O)c3)CC2)cc1C ZINC001203874435 1090825544 /nfs/dbraw/zinc/82/55/44/1090825544.db2.gz XPKNJAKVCCSIPU-UHFFFAOYSA-N 0 0 312.413 3.037 20 10 DGCDRN CCN(CC)c1ccc(CN2CC(Oc3cccnc3)C2)cc1 ZINC001203939287 1090844257 /nfs/dbraw/zinc/84/42/57/1090844257.db2.gz OOBYOAFCXQNSQZ-UHFFFAOYSA-N 0 0 311.429 3.191 20 10 DGCDRN CN(C)c1ccc(CN2CCC(=O)[C@@H](F)C2)c2ccccc21 ZINC001204241341 1090933099 /nfs/dbraw/zinc/93/30/99/1090933099.db2.gz FPXWTNBEJOIMTQ-INIZCTEOSA-N 0 0 300.377 3.019 20 10 DGCDRN C[C@H]1CN(Cc2cc(F)c(N(C)C)cc2F)C[C@H](C)S1 ZINC001204489133 1090980962 /nfs/dbraw/zinc/98/09/62/1090980962.db2.gz QNFAFMIUJSWBSW-QWRGUYRKSA-N 0 0 300.418 3.357 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cccc3[nH]cnc32)cc1 ZINC001626085774 1091019974 /nfs/dbraw/zinc/01/99/74/1091019974.db2.gz QEIWLYJUEQRUOG-UHFFFAOYSA-N 0 0 322.412 3.339 20 10 DGCDRN O=C(c1ccncc1)c1ccccc1Nc1cnc2ccnn2c1 ZINC001204834762 1091044437 /nfs/dbraw/zinc/04/44/37/1091044437.db2.gz QHYYPVFTSZWVRV-UHFFFAOYSA-N 0 0 315.336 3.099 20 10 DGCDRN O=C1OCCN1c1cccc(NCc2cc(F)c(F)cc2O)c1 ZINC001204907450 1091060291 /nfs/dbraw/zinc/06/02/91/1091060291.db2.gz HAYIUUVUGKVGEW-UHFFFAOYSA-N 0 0 320.295 3.239 20 10 DGCDRN COCc1csc(C(=O)Nc2c3nonc3ccc2Cl)c1 ZINC001128603099 1091071713 /nfs/dbraw/zinc/07/17/13/1091071713.db2.gz CNPHEMHFFQLKIM-UHFFFAOYSA-N 0 0 323.761 3.336 20 10 DGCDRN Cc1c(CN2CCO[C@H](C(F)(F)F)C2)c2ccccc2n1C ZINC001138258037 1091126564 /nfs/dbraw/zinc/12/65/64/1091126564.db2.gz JAMFAJUUOOGMCM-HNNXBMFYSA-N 0 0 312.335 3.250 20 10 DGCDRN Cc1c(CN2CCO[C@@H](c3ccccn3)C2)c2ccccc2n1C ZINC001138258444 1091128158 /nfs/dbraw/zinc/12/81/58/1091128158.db2.gz SGNGKEJGAMJJEL-HXUWFJFHSA-N 0 0 321.424 3.455 20 10 DGCDRN COc1ccccc1O[C@@H]1CC[N@H+](Cc2c([O-])cccc2F)C1 ZINC001137837736 1091207942 /nfs/dbraw/zinc/20/79/42/1091207942.db2.gz SGNIGLHYLJCJNS-CYBMUJFWSA-N 0 0 317.360 3.193 20 10 DGCDRN [O-]c1cccc(F)c1C[NH+]1CCC(Oc2ccc(F)cn2)CC1 ZINC001137841660 1091225929 /nfs/dbraw/zinc/22/59/29/1091225929.db2.gz OMOUHAZJXUVGPA-UHFFFAOYSA-N 0 0 320.339 3.109 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc2[nH]ccc2n1 ZINC001294681516 1091428258 /nfs/dbraw/zinc/42/82/58/1091428258.db2.gz NGPGGEBVABVOOX-UHFFFAOYSA-N 0 0 309.369 3.321 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+](C)Cc1cccnc1C ZINC001139133824 1091462267 /nfs/dbraw/zinc/46/22/67/1091462267.db2.gz SACBGZJLSZPFIF-UHFFFAOYSA-N 0 0 324.380 3.142 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(Cl)ncc2F)c1 ZINC001294938179 1091473587 /nfs/dbraw/zinc/47/35/87/1091473587.db2.gz XHUYSNRTCWTODL-MRVPVSSYSA-N 0 0 324.739 3.079 20 10 DGCDRN CC(C)CC[C@@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001295005022 1091487219 /nfs/dbraw/zinc/48/72/19/1091487219.db2.gz RMJOESMVWSCSRY-HNNXBMFYSA-N 0 0 305.418 3.458 20 10 DGCDRN Cn1ccc(Nc2ccc(Cc3ccc(N)cc3)cc2)cc1=O ZINC001206123616 1091502168 /nfs/dbraw/zinc/50/21/68/1091502168.db2.gz WILYZXQZMLGTOW-UHFFFAOYSA-N 0 0 305.381 3.302 20 10 DGCDRN [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2O)CC[C@H]1F ZINC001206201817 1091533178 /nfs/dbraw/zinc/53/31/78/1091533178.db2.gz YZWAOVUGQYUFLD-QZTJIDSGSA-N 0 0 314.404 3.320 20 10 DGCDRN C[NH+]1CCN(c2ccc(CN3CCCCC(F)(F)C3)cc2)CC1 ZINC001139404528 1091548111 /nfs/dbraw/zinc/54/81/11/1091548111.db2.gz MRCNFOYLJWRIPE-UHFFFAOYSA-N 0 0 323.431 3.060 20 10 DGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001139685763 1091641387 /nfs/dbraw/zinc/64/13/87/1091641387.db2.gz WDVXSZSAGDAVSI-VXNVDRBHSA-N 0 0 313.241 3.250 20 10 DGCDRN [O-]c1c(F)ccc(F)c1CN1CC[NH+](C2CCCCC2)CC1 ZINC001139685657 1091641955 /nfs/dbraw/zinc/64/19/55/1091641955.db2.gz RWGGCVXFSKHJJV-UHFFFAOYSA-N 0 0 310.388 3.121 20 10 DGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001139689165 1091643200 /nfs/dbraw/zinc/64/32/00/1091643200.db2.gz DLOYMAKGMFBBOM-CYBMUJFWSA-N 0 0 323.314 3.463 20 10 DGCDRN O=C(c1ccccc1)[C@@H]1CC[N@@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139688025 1091643581 /nfs/dbraw/zinc/64/35/81/1091643581.db2.gz WLYZPBCSNKTWLD-CYBMUJFWSA-N 0 0 317.335 3.375 20 10 DGCDRN C[N@@H+](Cc1c(F)ccc(F)c1[O-])C[C@@H]1Cc2ccccc2O1 ZINC001139690122 1091643764 /nfs/dbraw/zinc/64/37/64/1091643764.db2.gz PLSQMKDKEIKKJY-LBPRGKRZSA-N 0 0 305.324 3.106 20 10 DGCDRN O=C1C[C@H]2CCC[C@@H](C1)N2Cc1c(O)cccc1Br ZINC001140101302 1091768675 /nfs/dbraw/zinc/76/86/75/1091768675.db2.gz QRBBOCXTILSJQD-PHIMTYICSA-N 0 0 324.218 3.241 20 10 DGCDRN COC(=O)CN(Cc1ccccc1)Cc1c(C)ccc(C)c1O ZINC001140182566 1091793556 /nfs/dbraw/zinc/79/35/56/1091793556.db2.gz VMZHPFNLWFZGJW-UHFFFAOYSA-N 0 0 313.397 3.184 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C[C@@]1(O)C(F)(F)F ZINC001140338086 1091832522 /nfs/dbraw/zinc/83/25/22/1091832522.db2.gz UOTCJZRBNNKKFW-RNCFNFMXSA-N 0 0 323.742 3.181 20 10 DGCDRN CCOC(=O)c1coc2c1CN(Cc1ccc(Cl)cc1O)C2 ZINC001140465557 1091878892 /nfs/dbraw/zinc/87/88/92/1091878892.db2.gz NQQMLHVGFSRPNR-UHFFFAOYSA-N 0 0 321.760 3.331 20 10 DGCDRN Oc1cc(Cl)ccc1CN1CC[C@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001140468367 1091879262 /nfs/dbraw/zinc/87/92/62/1091879262.db2.gz IJFMEMAMYCLAPR-GJZGRUSLSA-N 0 0 312.816 3.054 20 10 DGCDRN CC[N@H+](Cc1[nH]c(C)c(C(=O)[O-])c1C)Cc1ccccc1O ZINC001140496356 1091889703 /nfs/dbraw/zinc/88/97/03/1091889703.db2.gz BXVFTUWUNXYDLH-UHFFFAOYSA-N 0 0 302.374 3.057 20 10 DGCDRN [O-]c1cc(F)cc(F)c1CN1CC[NH+](C2CCCCC2)CC1 ZINC001140583172 1091919155 /nfs/dbraw/zinc/91/91/55/1091919155.db2.gz XZFMJVGYQOEBRH-UHFFFAOYSA-N 0 0 310.388 3.121 20 10 DGCDRN CC(C)(O)C[N@H+](Cc1ccccc1)Cc1c([O-])cc(F)cc1F ZINC001140584343 1091920432 /nfs/dbraw/zinc/92/04/32/1091920432.db2.gz NUPUCKCEWRZQCL-UHFFFAOYSA-N 0 0 321.367 3.444 20 10 DGCDRN O=C(c1ccccc1)[C@H]1CC[N@@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140585490 1091921274 /nfs/dbraw/zinc/92/12/74/1091921274.db2.gz KJIIMWKAXNQTCP-ZDUSSCGKSA-N 0 0 317.335 3.375 20 10 DGCDRN Cc1ccnn1C1CC[NH+](Cc2c([O-])cc(F)cc2F)CC1 ZINC001140585994 1091921827 /nfs/dbraw/zinc/92/18/27/1091921827.db2.gz YXOVLPLSDUXXBC-UHFFFAOYSA-N 0 0 307.344 3.012 20 10 DGCDRN Cc1cccnc1O[C@H]1CC[N@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140585963 1091921907 /nfs/dbraw/zinc/92/19/07/1091921907.db2.gz XLKNDZUHKDSDHJ-ZDUSSCGKSA-N 0 0 320.339 3.027 20 10 DGCDRN Cc1ccc(O)c(CN2CC[C@@H](N3CCCCC3)C(F)(F)C2)c1 ZINC001140624512 1091936810 /nfs/dbraw/zinc/93/68/10/1091936810.db2.gz ZFICVCHZSUBJSA-QGZVFWFLSA-N 0 0 324.415 3.396 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccccc1[N+](=O)[O-] ZINC001207434162 1091966289 /nfs/dbraw/zinc/96/62/89/1091966289.db2.gz UYECWLQTQIEYGU-SECBINFHSA-N 0 0 308.284 3.429 20 10 DGCDRN Cc1cc(CN(C)Cc2ccc(N(C)C)cc2Cl)n(C)n1 ZINC001140923674 1092064236 /nfs/dbraw/zinc/06/42/36/1092064236.db2.gz GJBBQBVQJVPVJC-UHFFFAOYSA-N 0 0 306.841 3.080 20 10 DGCDRN CN(C)c1ccc(CN2CCO[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC001140925597 1092064685 /nfs/dbraw/zinc/06/46/85/1092064685.db2.gz SGSQGBUEHKSJEP-ZDUSSCGKSA-N 0 0 322.758 3.169 20 10 DGCDRN CCOC(=O)[C@@H]1CCCCN1Cc1ccc(N(C)C)cc1Cl ZINC001140925136 1092065361 /nfs/dbraw/zinc/06/53/61/1092065361.db2.gz ONDXRSURQCEQGG-INIZCTEOSA-N 0 0 324.852 3.324 20 10 DGCDRN CC(=O)N1CCCC[C@]12CCC[N@H+](Cc1ccc(C)cc1O)C2 ZINC001140950355 1092076821 /nfs/dbraw/zinc/07/68/21/1092076821.db2.gz QZTVDNVXGIJPAA-LJQANCHMSA-N 0 0 316.445 3.068 20 10 DGCDRN CCOCc1cnc2n1CCN(Cc1ccc(C)cc1O)[C@H]2C ZINC001140952227 1092078527 /nfs/dbraw/zinc/07/85/27/1092078527.db2.gz JEBISFIJANSBDQ-AWEZNQCLSA-N 0 0 315.417 3.010 20 10 DGCDRN COc1cc(O)c(CN2CCc3ccc(F)cc3C2)c(OC)c1 ZINC001141029516 1092110995 /nfs/dbraw/zinc/11/09/95/1092110995.db2.gz VFNVBDLJPFFGKJ-UHFFFAOYSA-N 0 0 317.360 3.107 20 10 DGCDRN COc1cc(O)c(C[N@@H+]2Cc3ccccc3C[C@@H]2C)c(OC)c1 ZINC001141030661 1092113109 /nfs/dbraw/zinc/11/31/09/1092113109.db2.gz FPQBNSOIMJPOCK-ZDUSSCGKSA-N 0 0 313.397 3.356 20 10 DGCDRN Oc1ccc(O)c(CN(Cc2ccccn2)Cc2ccccn2)c1 ZINC001141156191 1092156274 /nfs/dbraw/zinc/15/62/74/1092156274.db2.gz SZPWCHOPZRCCBC-UHFFFAOYSA-N 0 0 321.380 3.090 20 10 DGCDRN Cc1ccc(CN2CCCc3cc(O)c(O)cc3C2)c(F)c1 ZINC001141195510 1092170335 /nfs/dbraw/zinc/17/03/35/1092170335.db2.gz QQKTVWPZANFPSW-UHFFFAOYSA-N 0 0 301.361 3.494 20 10 DGCDRN Cc1cc(C(=O)N(C2CC2)C2COC2)c(C)n1-c1ccccc1C ZINC001141369101 1092221712 /nfs/dbraw/zinc/22/17/12/1092221712.db2.gz CKFKTNQWGKPQRG-UHFFFAOYSA-N 0 0 324.424 3.406 20 10 DGCDRN COc1cc(Cl)nc(N2CCCc3cc(O)c(O)cc3C2)c1 ZINC001155941506 1092287913 /nfs/dbraw/zinc/28/79/13/1092287913.db2.gz QLXIFHFGDKAIOX-UHFFFAOYSA-N 0 0 320.776 3.108 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Cc2ncc(C)s2)cc1 ZINC001141868994 1092352601 /nfs/dbraw/zinc/35/26/01/1092352601.db2.gz QKUIDRQNAYVKDZ-UHFFFAOYSA-N 0 0 317.458 3.157 20 10 DGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)Cc2ccncc2)cc1 ZINC001142182475 1092429919 /nfs/dbraw/zinc/42/99/19/1092429919.db2.gz PLXQYZIRYXJJEG-UHFFFAOYSA-N 0 0 317.392 3.440 20 10 DGCDRN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CCC[C@@H](C)C1 ZINC001142302197 1092463219 /nfs/dbraw/zinc/46/32/19/1092463219.db2.gz SAVWIXSXXFKIHG-WWJJATFZSA-N 0 0 303.402 3.442 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH+]1CCC(Oc2ccncc2)CC1 ZINC001142508922 1092492269 /nfs/dbraw/zinc/49/22/69/1092492269.db2.gz PYSLBEXRQZLVHC-UHFFFAOYSA-N 0 0 320.339 3.109 20 10 DGCDRN CC(C)N(Cc1ccccc1F)C(=O)c1cccc(O)c1O ZINC001142574979 1092506167 /nfs/dbraw/zinc/50/61/67/1092506167.db2.gz XLZFSSWZUWGTCD-UHFFFAOYSA-N 0 0 303.333 3.288 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)C1CC(F)C1 ZINC001142580905 1092507971 /nfs/dbraw/zinc/50/79/71/1092507971.db2.gz GZZOVVOOELJIFA-PPUFBPAQSA-N 0 0 305.393 3.497 20 10 DGCDRN Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C)c(O)c1O)[C@H](C)C2 ZINC001300806615 1092521563 /nfs/dbraw/zinc/52/15/63/1092521563.db2.gz LIRJMFBZORBJFT-WBMJQRKESA-N 0 0 311.381 3.378 20 10 DGCDRN O=C([O-])c1cc(Cl)ccc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001142663956 1092521878 /nfs/dbraw/zinc/52/18/78/1092521878.db2.gz XWBMLJICVPKOLA-UHFFFAOYSA-N 0 0 317.772 3.302 20 10 DGCDRN C[N@H+](Cc1ccccc1O)Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142663979 1092522732 /nfs/dbraw/zinc/52/27/32/1092522732.db2.gz YNOZQEVJQFDNOP-UHFFFAOYSA-N 0 0 305.761 3.376 20 10 DGCDRN CCCc1occc1C(=O)NCc1ccc2cccnc2c1O ZINC001142728660 1092539487 /nfs/dbraw/zinc/53/94/87/1092539487.db2.gz ZISAIYGACSEMMJ-UHFFFAOYSA-N 0 0 310.353 3.416 20 10 DGCDRN CNc1ncccc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001142847033 1092566262 /nfs/dbraw/zinc/56/62/62/1092566262.db2.gz HJGXMHFNFRGZQZ-UHFFFAOYSA-N 0 0 324.428 3.044 20 10 DGCDRN Cc1ccc(CNC(=O)c2cccc(O)c2O)c(OC(C)C)c1 ZINC001149713180 1092725292 /nfs/dbraw/zinc/72/52/92/1092725292.db2.gz BGISACPBHNLSIU-UHFFFAOYSA-N 0 0 315.369 3.123 20 10 DGCDRN O=C(NCc1ccccc1O)c1cccc(C(=O)c2ccco2)c1 ZINC001150536671 1092790192 /nfs/dbraw/zinc/79/01/92/1092790192.db2.gz RCAVVBXRAPBCEO-UHFFFAOYSA-N 0 0 321.332 3.146 20 10 DGCDRN c1cn(Cc2cccc(Nc3ccc4c(c3)OCCN4)c2)cn1 ZINC001209766170 1092909537 /nfs/dbraw/zinc/90/95/37/1092909537.db2.gz GWFPCUAMESCARL-UHFFFAOYSA-N 0 0 306.369 3.479 20 10 DGCDRN COC(=O)c1ccc(OC)cc1Nc1ccc2c(c1)OCCN2 ZINC001209767937 1092910860 /nfs/dbraw/zinc/91/08/60/1092910860.db2.gz SJYSFPARIYSOBQ-UHFFFAOYSA-N 0 0 314.341 3.030 20 10 DGCDRN Cc1ccc(C(=O)NC2CC2)cc1Nc1ccc2c(c1)OCCN2 ZINC001209788783 1092923747 /nfs/dbraw/zinc/92/37/47/1092923747.db2.gz HOSDLDDGRRDLKX-UHFFFAOYSA-N 0 0 323.396 3.435 20 10 DGCDRN COC(Cc1ccc(Nc2ccc3c(c2)OCCN3)cc1)OC ZINC001209792045 1092925883 /nfs/dbraw/zinc/92/58/83/1092925883.db2.gz IVTHIZLLVRLPQW-UHFFFAOYSA-N 0 0 314.385 3.396 20 10 DGCDRN O=C(c1ccncc1)c1ccccc1Nc1c[nH]c(=O)c(F)c1 ZINC001210604906 1093223956 /nfs/dbraw/zinc/22/39/56/1093223956.db2.gz HPCUCJLBCHNGOX-UHFFFAOYSA-N 0 0 309.300 3.296 20 10 DGCDRN CC(C)(C)c1cc(N(c2ccc(N)cc2)S(C)(=O)=O)ccn1 ZINC001213166822 1093534310 /nfs/dbraw/zinc/53/43/10/1093534310.db2.gz SPGMCNNAOABZQA-UHFFFAOYSA-N 0 0 319.430 3.059 20 10 DGCDRN COc1ccc(-c2noc(-c3cccc(O)c3O)n2)cc1Cl ZINC001215146070 1093927247 /nfs/dbraw/zinc/92/72/47/1093927247.db2.gz ZYEVUJHDICPEIN-UHFFFAOYSA-N 0 0 318.716 3.477 20 10 DGCDRN Oc1cccc(-c2nc(-c3ccc(N4CCCC4)cc3)no2)c1O ZINC001215145984 1093927381 /nfs/dbraw/zinc/92/73/81/1093927381.db2.gz VNGVKTHLTKDHGC-UHFFFAOYSA-N 0 0 323.352 3.415 20 10 DGCDRN Oc1ccc(-c2nc(-c3ccc(F)c(F)c3F)no2)cc1O ZINC001215304135 1093955148 /nfs/dbraw/zinc/95/51/48/1093955148.db2.gz FTGNITFBWWJFMW-UHFFFAOYSA-N 0 0 308.215 3.232 20 10 DGCDRN Oc1ccc(-c2nc(-c3ccc(-n4cccn4)cc3)no2)cc1O ZINC001215304227 1093955702 /nfs/dbraw/zinc/95/57/02/1093955702.db2.gz HLCWKYAZJRAAKZ-UHFFFAOYSA-N 0 0 320.308 3.001 20 10 DGCDRN Cc1c(F)ccc(-c2noc(-c3ccc(O)c(O)c3)n2)c1F ZINC001215304327 1093956065 /nfs/dbraw/zinc/95/60/65/1093956065.db2.gz KTPDQVGIAOOHEG-UHFFFAOYSA-N 0 0 304.252 3.401 20 10 DGCDRN CCN1CCc2ccc(-c3noc(-c4ccc(O)c(O)c4)n3)cc21 ZINC001215304166 1093956077 /nfs/dbraw/zinc/95/60/77/1093956077.db2.gz GLJMDVCGEONYMU-UHFFFAOYSA-N 0 0 323.352 3.197 20 10 DGCDRN Cc1cc(F)c(F)c(-c2noc(-c3ccc(O)c(O)c3O)n2)c1 ZINC001215325368 1093960300 /nfs/dbraw/zinc/96/03/00/1093960300.db2.gz OROLLMGVZAZVJK-UHFFFAOYSA-N 0 0 320.251 3.107 20 10 DGCDRN Oc1cc(-c2nc(-c3cccc4cnccc43)no2)cc(O)c1O ZINC001215327541 1093961627 /nfs/dbraw/zinc/96/16/27/1093961627.db2.gz HCKSXEALAGBPBO-UHFFFAOYSA-N 0 0 321.292 3.069 20 10 DGCDRN CCc1cc(-c2noc(-c3cc(O)c(O)c(O)c3)n2)ccc1F ZINC001215327869 1093961874 /nfs/dbraw/zinc/96/18/74/1093961874.db2.gz XRKGTQBPDKKKOF-UHFFFAOYSA-N 0 0 316.288 3.222 20 10 DGCDRN Cc1ccc(-c2noc(-c3cc(O)c(O)c(O)c3)n2)c(F)c1F ZINC001215327443 1093961891 /nfs/dbraw/zinc/96/18/91/1093961891.db2.gz BBMQQEREZWZSTJ-UHFFFAOYSA-N 0 0 320.251 3.107 20 10 DGCDRN CN(c1ccc(N)cc1)c1ccc(CN2CCOCC2)c(F)c1 ZINC001215545102 1093998654 /nfs/dbraw/zinc/99/86/54/1093998654.db2.gz FBZLSQICPPMTNW-UHFFFAOYSA-N 0 0 315.392 3.008 20 10 DGCDRN CC(C)c1ccc(N)c(N(c2ccc(N)cc2)S(C)(=O)=O)c1 ZINC001216021579 1094107604 /nfs/dbraw/zinc/10/76/04/1094107604.db2.gz LZMRPDJHNKOSDX-UHFFFAOYSA-N 0 0 319.430 3.072 20 10 DGCDRN Nc1ccc(Nc2cccc(O)c2O)cc1OC(F)(F)F ZINC001216034588 1094109937 /nfs/dbraw/zinc/10/99/37/1094109937.db2.gz XPKQZNQFFAAMFZ-UHFFFAOYSA-N 0 0 300.236 3.322 20 10 DGCDRN CC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)[C@@H](CC)CO1 ZINC000403837168 1094187480 /nfs/dbraw/zinc/18/74/80/1094187480.db2.gz CAEWWYBDAOAVNB-LSDHHAIUSA-N 0 0 309.381 3.123 20 10 DGCDRN Cc1cc(Cl)ccc1N(c1ccc(N)cc1)S(C)(=O)=O ZINC001216434281 1094198467 /nfs/dbraw/zinc/19/84/67/1094198467.db2.gz LBOFXAYVRMQNCN-UHFFFAOYSA-N 0 0 310.806 3.328 20 10 DGCDRN COc1cc(OC)c(C2OCCO2)cc1Nc1ccc(N)cc1 ZINC001216543398 1094215993 /nfs/dbraw/zinc/21/59/93/1094215993.db2.gz KCCTVLLQNCJSOE-UHFFFAOYSA-N 0 0 316.357 3.075 20 10 DGCDRN O=C(NCc1ccccc1O)c1cscc1Br ZINC000404943262 1094275070 /nfs/dbraw/zinc/27/50/70/1094275070.db2.gz MXLDMLLPKBDURA-UHFFFAOYSA-N 0 0 312.188 3.146 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCC[C@H](F)C1 ZINC001119894652 1094302660 /nfs/dbraw/zinc/30/26/60/1094302660.db2.gz LHADQZMTNLEHQH-NEPJUHHUSA-N 0 0 300.370 3.022 20 10 DGCDRN Cc1ccccc1C1(CNC(=O)NCc2ccc(N)cc2)CC1 ZINC001120500522 1094443238 /nfs/dbraw/zinc/44/32/38/1094443238.db2.gz OPGMGIFCRYRMMA-UHFFFAOYSA-N 0 0 309.413 3.108 20 10 DGCDRN Nc1ccc(CCNC(=O)NCCC2(c3ccccc3)CC2)cc1 ZINC001120629908 1094476362 /nfs/dbraw/zinc/47/63/62/1094476362.db2.gz MJUSFJLVWVCCNC-UHFFFAOYSA-N 0 0 323.440 3.232 20 10 DGCDRN N[C@H](c1nnc(-c2ccc(-n3cccc3)cc2)o1)C(F)(F)F ZINC001217728852 1094486162 /nfs/dbraw/zinc/48/61/62/1094486162.db2.gz QSRLKISGYWYMTD-LLVKDONJSA-N 0 0 308.263 3.089 20 10 DGCDRN N[C@@H](CC(F)F)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217741681 1094488543 /nfs/dbraw/zinc/48/85/43/1094488543.db2.gz JFUZDALSZRQOJG-LBPRGKRZSA-N 0 0 304.300 3.182 20 10 DGCDRN COc1ccc(/C(C)=C\C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC001135825531 1094695613 /nfs/dbraw/zinc/69/56/13/1094695613.db2.gz XMJDAQYABLBFMK-SQFISAMPSA-N 0 0 324.424 3.481 20 10 DGCDRN CNc1cc(Cl)ccc1C(=O)NCc1ccc(N(C)C)cc1 ZINC001135825212 1094695985 /nfs/dbraw/zinc/69/59/85/1094695985.db2.gz JTVUJKFVWNHUJR-UHFFFAOYSA-N 0 0 317.820 3.378 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2C[C@H](C)O[C@H]2C)cc1 ZINC001135946114 1094762576 /nfs/dbraw/zinc/76/25/76/1094762576.db2.gz GJSPYKMHGBXHIZ-RLFYNMQTSA-N 0 0 318.461 3.305 20 10 DGCDRN Nc1ccc(CNC(=O)N[C@H]2CCCc3ccc(F)cc32)cc1 ZINC001336890833 1094774740 /nfs/dbraw/zinc/77/47/40/1094774740.db2.gz IIUXSFJEUIURCE-KRWDZBQOSA-N 0 0 313.376 3.285 20 10 DGCDRN Nc1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2F)cc1 ZINC001336926069 1094784742 /nfs/dbraw/zinc/78/47/42/1094784742.db2.gz OWQMJBBKUAAUDK-SJORKVTESA-N 0 0 313.376 3.094 20 10 DGCDRN COc1ccc(C)cc1[C@H](C)NC(=O)NCc1ccc(N)cc1 ZINC001336975308 1094800519 /nfs/dbraw/zinc/80/05/19/1094800519.db2.gz MDWGHJMEGRYWHK-ZDUSSCGKSA-N 0 0 313.401 3.146 20 10 DGCDRN Cc1cc(NC(=O)Cc2ccc(N)cc2)n(-c2ccccc2F)n1 ZINC001218659636 1094850583 /nfs/dbraw/zinc/85/05/83/1094850583.db2.gz QVSWPPWZANLIBP-UHFFFAOYSA-N 0 0 324.359 3.083 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ocnc1CC ZINC001337218825 1094901409 /nfs/dbraw/zinc/90/14/09/1094901409.db2.gz MMFOFBORAOQNFF-UHFFFAOYSA-N 0 0 302.374 3.385 20 10 DGCDRN C[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@H]2CCCC[C@H]12 ZINC001136200045 1094942943 /nfs/dbraw/zinc/94/29/43/1094942943.db2.gz OYTOETMEQXMUFH-YUELXQCFSA-N 0 0 303.402 3.068 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCC=C(Cl)Cl ZINC001220118078 1095057069 /nfs/dbraw/zinc/05/70/69/1095057069.db2.gz JVNIBHYRYZCRAR-UHFFFAOYSA-N 0 0 316.232 3.179 20 10 DGCDRN CC[C@@H](NC(=O)N[C@H](C)c1cc(OC)ccc1O)C(F)(F)F ZINC001220468886 1095102502 /nfs/dbraw/zinc/10/25/02/1095102502.db2.gz SFJVWNJXGFHSNB-PRHODGIISA-N 0 0 320.311 3.102 20 10 DGCDRN CCS[C@H](C)c1noc(CN(C)Cc2ccc(N)cc2)n1 ZINC001337838368 1095112910 /nfs/dbraw/zinc/11/29/10/1095112910.db2.gz OLJPOSTZVXARSN-LLVKDONJSA-N 0 0 306.435 3.098 20 10 DGCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2C[C@@H]2F)cc1 ZINC001337915526 1095137841 /nfs/dbraw/zinc/13/78/41/1095137841.db2.gz GYLFTOHQYMRTLH-IRXDYDNUSA-N 0 0 316.376 3.232 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCC[C@H]2OC)cc1F ZINC001136730696 1095139910 /nfs/dbraw/zinc/13/99/10/1095139910.db2.gz YPPDVCQUJUBJOV-WMLDXEAASA-N 0 0 322.424 3.103 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC[C@H]2OC)cc1F ZINC001136730695 1095140224 /nfs/dbraw/zinc/14/02/24/1095140224.db2.gz YPPDVCQUJUBJOV-RHSMWYFYSA-N 0 0 322.424 3.103 20 10 DGCDRN C[C@@H](Nc1ccc2c(c1)NC(=O)CO2)c1ccc(F)cc1O ZINC000316072255 1095155677 /nfs/dbraw/zinc/15/56/77/1095155677.db2.gz HPTQYJHBTKGKFX-SECBINFHSA-N 0 0 302.305 3.035 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCC(C)(C)C2CCC2)cc1 ZINC001221011814 1095187134 /nfs/dbraw/zinc/18/71/34/1095187134.db2.gz XSUYBHLHFKICAD-UHFFFAOYSA-N 0 0 303.450 3.378 20 10 DGCDRN CC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccncc1 ZINC001136922930 1095236719 /nfs/dbraw/zinc/23/67/19/1095236719.db2.gz XIXSOMDHXLHJOO-AWEZNQCLSA-N 0 0 311.345 3.125 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCC(C3CC3)CC2)cc1F ZINC001221545200 1095298639 /nfs/dbraw/zinc/29/86/39/1095298639.db2.gz ASDAACDRESKHTH-UHFFFAOYSA-N 0 0 319.424 3.223 20 10 DGCDRN CC(C)[C@@]1(C)C[C@@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001221545515 1095298856 /nfs/dbraw/zinc/29/88/56/1095298856.db2.gz LNCYRXIKHNVPIW-DOTOQJQBSA-N 0 0 307.413 3.126 20 10 DGCDRN Nc1ccc(CC(=O)Nc2nc3ccccc3nc2Cl)cc1 ZINC000318301603 1095321667 /nfs/dbraw/zinc/32/16/67/1095321667.db2.gz QLQMKZQQHRSXAN-UHFFFAOYSA-N 0 0 312.760 3.047 20 10 DGCDRN CC[C@H](Cc1ccccc1)NC(=O)NCc1c(O)cccc1F ZINC001221725013 1095333659 /nfs/dbraw/zinc/33/36/59/1095333659.db2.gz AGVDHAMYWOBQCY-CQSZACIVSA-N 0 0 316.376 3.352 20 10 DGCDRN CC[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2C)[C@@H]1C ZINC001221894255 1095384618 /nfs/dbraw/zinc/38/46/18/1095384618.db2.gz PUBFOFWKSCCUOW-HUUCEWRRSA-N 0 0 303.450 3.391 20 10 DGCDRN O=C1/C(=C\c2cccc(O)c2)SC(=S)N1c1cccnc1 ZINC000210330357 1095400440 /nfs/dbraw/zinc/40/04/40/1095400440.db2.gz RTIVSAYORIBYQZ-MDWZMJQESA-N 0 0 314.391 3.193 20 10 DGCDRN C[C@H](CC(F)(F)F)C(=O)Nc1c2nonc2ccc1Cl ZINC001338864072 1095416056 /nfs/dbraw/zinc/41/60/56/1095416056.db2.gz NRXWAMITHNKGNC-RXMQYKEDSA-N 0 0 307.659 3.403 20 10 DGCDRN C[C@@H](NC(=O)c1c(F)ccnc1Cl)c1ccc(N(C)C)cc1 ZINC001123789948 1095437525 /nfs/dbraw/zinc/43/75/25/1095437525.db2.gz NQJVDADJLMUVDU-SNVBAGLBSA-N 0 0 321.783 3.431 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1cc2c(s1)CCCCC2 ZINC001123977428 1095502710 /nfs/dbraw/zinc/50/27/10/1095502710.db2.gz FWVXFQOPMZMZMU-UHFFFAOYSA-N 0 0 317.410 3.358 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCC(F)F ZINC001124111639 1095540609 /nfs/dbraw/zinc/54/06/09/1095540609.db2.gz JYCDYPGKMPNIID-UHFFFAOYSA-N 0 0 320.339 3.292 20 10 DGCDRN C[C@@H]1C[C@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001124621109 1095609442 /nfs/dbraw/zinc/60/94/42/1095609442.db2.gz CAZKKVGFEJBIGA-NVXWUHKLSA-N 0 0 316.445 3.060 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)NC(C)(C)CF)cc2)CC1 ZINC001116633369 1095621054 /nfs/dbraw/zinc/62/10/54/1095621054.db2.gz ADFXMMYVJPPFNS-UHFFFAOYSA-N 0 0 321.440 3.470 20 10 DGCDRN C[C@@H]1CN(c2nnc(C3SC=CC3=O)n2C)[C@@H]2CCCC[C@H]21 ZINC001339458681 1095630144 /nfs/dbraw/zinc/63/01/44/1095630144.db2.gz RTTCCOUBFYMROZ-GRYCIOLGSA-N 0 0 318.446 3.264 20 10 DGCDRN C[C@@H]1CN(c2nnc(C3SC=CC3=O)n2C)[C@H]2CCCC[C@H]12 ZINC001339458684 1095630349 /nfs/dbraw/zinc/63/03/49/1095630349.db2.gz RTTCCOUBFYMROZ-UTUOFQBUSA-N 0 0 318.446 3.264 20 10 DGCDRN Oc1ccc(Br)cc1CNc1ccnc2nc[nH]c21 ZINC001171177585 1095647611 /nfs/dbraw/zinc/64/76/11/1095647611.db2.gz CTQQEAZPLSLRGJ-UHFFFAOYSA-N 0 0 319.162 3.038 20 10 DGCDRN CCc1ncncc1NCc1cc(Br)ccc1O ZINC001171177538 1095647871 /nfs/dbraw/zinc/64/78/71/1095647871.db2.gz AEBFVXFHBQJZOB-UHFFFAOYSA-N 0 0 308.179 3.119 20 10 DGCDRN COc1ccc(NCc2cc(Br)ccc2O)c(C)n1 ZINC001171178277 1095649257 /nfs/dbraw/zinc/64/92/57/1095649257.db2.gz VMEMEZMQUZKIOE-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN CC(C)(C)OC(=O)[C@H]1CCC[N@H+](Cc2c([O-])cccc2F)C1 ZINC001137837393 1095758756 /nfs/dbraw/zinc/75/87/56/1095758756.db2.gz FCTVELNUKQYVRU-LBPRGKRZSA-N 0 0 309.381 3.085 20 10 DGCDRN Cc1ccnc(OC2CC[NH+](Cc3c([O-])cccc3F)CC2)c1 ZINC001137841746 1095759887 /nfs/dbraw/zinc/75/98/87/1095759887.db2.gz SLLISIZOAXHYPV-UHFFFAOYSA-N 0 0 316.376 3.278 20 10 DGCDRN Oc1cccc(F)c1CN1CCOC[C@H]1c1ccc(F)cc1 ZINC001137841778 1095759911 /nfs/dbraw/zinc/75/99/11/1095759911.db2.gz UYAHVUHEUZSVJC-INIZCTEOSA-N 0 0 305.324 3.244 20 10 DGCDRN CCOC(=O)C1(C(C)C)CC[NH+](Cc2c([O-])cccc2F)CC1 ZINC001137840027 1095760283 /nfs/dbraw/zinc/76/02/83/1095760283.db2.gz PNZCOYMEZMBDHS-UHFFFAOYSA-N 0 0 323.408 3.333 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N(C)C[C@H](C)O)c1 ZINC001340194204 1095902097 /nfs/dbraw/zinc/90/20/97/1095902097.db2.gz OBGJHWYICHGWCY-ZDUSSCGKSA-N 0 0 320.820 3.200 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCC[C@@H](F)C2)cc1 ZINC001118334215 1095983032 /nfs/dbraw/zinc/98/30/32/1095983032.db2.gz VEVFKKGFVLGOKH-LSDHHAIUSA-N 0 0 322.424 3.118 20 10 DGCDRN O=C(CCOc1ccccc1F)NCc1cc(Cl)ccc1O ZINC001146230888 1096007079 /nfs/dbraw/zinc/00/70/79/1096007079.db2.gz ACSHIHXGWTWVMV-UHFFFAOYSA-N 0 0 323.751 3.270 20 10 DGCDRN COc1cccc2cc(CNC(=O)C3=CC(=O)CS3)oc21 ZINC001118555800 1096033377 /nfs/dbraw/zinc/03/33/77/1096033377.db2.gz ORDMVHUWMCSWIJ-UHFFFAOYSA-N 0 0 303.339 3.139 20 10 DGCDRN CC(C)(C)O[C@@H]1C[C@H]1C(=O)Nc1c2nonc2ccc1Cl ZINC001118783994 1096074099 /nfs/dbraw/zinc/07/40/99/1096074099.db2.gz NJNZGCUBCPXFQF-GMSGAONNSA-N 0 0 309.753 3.018 20 10 DGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)c2cccc(=O)[nH]2)cc1 ZINC001147301871 1096194571 /nfs/dbraw/zinc/19/45/71/1096194571.db2.gz FXCRDKHALXTQPN-UHFFFAOYSA-N 0 0 319.364 3.216 20 10 DGCDRN O=C(N[C@H]1CCC[C@@H](F)C1)c1cc2cc(O)c(O)cc2s1 ZINC001119562715 1096225838 /nfs/dbraw/zinc/22/58/38/1096225838.db2.gz WUCGNKWVGLOEMG-ZJUUUORDSA-N 0 0 309.362 3.323 20 10 DGCDRN O=C(N[C@@H]1CCC[C@@H](F)C1)c1cc2cc(O)c(O)cc2s1 ZINC001119562712 1096226462 /nfs/dbraw/zinc/22/64/62/1096226462.db2.gz WUCGNKWVGLOEMG-NXEZZACHSA-N 0 0 309.362 3.323 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cc(C=O)oc2C)cc1 ZINC001119756493 1096256135 /nfs/dbraw/zinc/25/61/35/1096256135.db2.gz NCYBTDWOQFPAKD-UHFFFAOYSA-N 0 0 314.385 3.177 20 10 DGCDRN Cc1nc2cc(Cl)c(NC(=O)c3cccc(O)c3O)cc2o1 ZINC001148219385 1096327981 /nfs/dbraw/zinc/32/79/81/1096327981.db2.gz XFRICMGMLDCCHN-UHFFFAOYSA-N 0 0 318.716 3.453 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCc1ccoc1 ZINC001225179512 1096359257 /nfs/dbraw/zinc/35/92/57/1096359257.db2.gz OCBOUUKXSOBEAF-UHFFFAOYSA-N 0 0 313.401 3.221 20 10 DGCDRN O=C(Nc1ccc(F)c(C2CC2)c1)c1cc(O)c(O)c(O)c1 ZINC001148586544 1096407081 /nfs/dbraw/zinc/40/70/81/1096407081.db2.gz RUQVFPXPJKCRHE-UHFFFAOYSA-N 0 0 303.289 3.072 20 10 DGCDRN Cc1c(F)c(F)cc(C(=O)N2CCc3cccc(O)c3C2)c1F ZINC001148729500 1096431226 /nfs/dbraw/zinc/43/12/26/1096431226.db2.gz FRTOBUCSAZODNP-UHFFFAOYSA-N 0 0 321.298 3.316 20 10 DGCDRN COC(=O)c1ccc(NCc2cc3ccccc3cc2O)nc1 ZINC001171400601 1096667344 /nfs/dbraw/zinc/66/73/44/1096667344.db2.gz WKXKBSJKFXOMQC-UHFFFAOYSA-N 0 0 308.337 3.339 20 10 DGCDRN Nc1cn2ccc(NCc3cc4ccccc4cc3O)cc2n1 ZINC001171404654 1096675110 /nfs/dbraw/zinc/67/51/10/1096675110.db2.gz HCPCHUCDUCYCQQ-UHFFFAOYSA-N 0 0 304.353 3.387 20 10 DGCDRN CC[C@H](Oc1c(O)c(O)c(O)c(O)c1O)c1cccc(F)c1C ZINC001226469431 1096696718 /nfs/dbraw/zinc/69/67/18/1096696718.db2.gz UBHVNYDTHLQSLO-JTQLQIEISA-N 0 0 324.304 3.192 20 10 DGCDRN O=C1c2ccccc2C(=O)c2c1ccc(O)c2O[C@H]1C=CCC1 ZINC001227579999 1096954032 /nfs/dbraw/zinc/95/40/32/1096954032.db2.gz DJHCVOFQNRQBAB-NSHDSACASA-N 0 0 306.317 3.265 20 10 DGCDRN CCOC(=O)[C@H](C)[C@@H](Oc1ccc(N(C)C)cc1)C(F)(F)F ZINC001227940722 1097016985 /nfs/dbraw/zinc/01/69/85/1097016985.db2.gz NSQBPSZWHXXUDQ-ZWNOBZJWSA-N 0 0 319.323 3.262 20 10 DGCDRN CN(C)c1ccc(O[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001227939787 1097017513 /nfs/dbraw/zinc/01/75/13/1097017513.db2.gz FEVZOEJYOAPRPQ-OAHLLOKOSA-N 0 0 306.406 3.141 20 10 DGCDRN COC(=O)[C@@H](Oc1ccc(N(C)C)cc1)c1ccccc1F ZINC001227939130 1097017572 /nfs/dbraw/zinc/01/75/72/1097017572.db2.gz MRCPDLIAWHECHR-INIZCTEOSA-N 0 0 303.333 3.185 20 10 DGCDRN O=C1c2ccccc2C(=O)c2c(OC[C@@H]3CCCCO3)cccc21 ZINC001228074070 1097045275 /nfs/dbraw/zinc/04/52/75/1097045275.db2.gz NXLZCVOUEIRHQP-ZDUSSCGKSA-N 0 0 322.360 3.410 20 10 DGCDRN O=C(c1ccc(O)cc1)c1ccc(O)c(O)c1O[C@@H]1C=CCC1 ZINC001228111534 1097052818 /nfs/dbraw/zinc/05/28/18/1097052818.db2.gz VHIRPXQYUXNSPG-CYBMUJFWSA-N 0 0 312.321 3.132 20 10 DGCDRN C[C@@H](Oc1c(O)c(O)ccc1C(=O)c1ccc(O)cc1)C1CC1 ZINC001228116307 1097054035 /nfs/dbraw/zinc/05/40/35/1097054035.db2.gz XVOTZEHNWOTZMC-SNVBAGLBSA-N 0 0 314.337 3.212 20 10 DGCDRN CC(=O)N1CCN(c2ccc(O[C@H](C)C3CCCC3)cc2)CC1 ZINC001228202868 1097072885 /nfs/dbraw/zinc/07/28/85/1097072885.db2.gz WHOZBZCMRZQDRV-OAHLLOKOSA-N 0 0 316.445 3.313 20 10 DGCDRN O=C1c2ccccc2C(=O)c2c(OC3CC=CC3)ccc(O)c21 ZINC001228210341 1097074272 /nfs/dbraw/zinc/07/42/72/1097074272.db2.gz DHWODYIVIKFFPY-UHFFFAOYSA-N 0 0 306.317 3.265 20 10 DGCDRN Cn1cc2cccc(-c3noc(-c4nnsc4C4CC4)n3)c2n1 ZINC001212679652 1097228053 /nfs/dbraw/zinc/22/80/53/1097228053.db2.gz NGBZCJBMKVHAAE-UHFFFAOYSA-N 0 0 324.369 3.019 20 10 DGCDRN O=C1c2cccc(O[C@@H]3C=CCC3)c2C(=O)c2cccc(O)c21 ZINC001229192586 1097274560 /nfs/dbraw/zinc/27/45/60/1097274560.db2.gz PBGCLSFMDJDMHF-LLVKDONJSA-N 0 0 306.317 3.265 20 10 DGCDRN CSc1ccc(N(c2ccc(N)cc2)S(C)(=O)=O)cc1 ZINC001173813000 1097510587 /nfs/dbraw/zinc/51/05/87/1097510587.db2.gz OJPNHNGZXHILFW-UHFFFAOYSA-N 0 0 308.428 3.088 20 10 DGCDRN C[C@H]1C[C@H](CNC(=O)NCc2c(O)cccc2F)C[C@@H](C)C1 ZINC001230793590 1097588714 /nfs/dbraw/zinc/58/87/14/1097588714.db2.gz PNNIFFHBWZBGJZ-ITGUQSILSA-N 0 0 308.397 3.403 20 10 DGCDRN COc1cncc(Nc2ccccc2C(=O)c2ccncc2)c1 ZINC001174091733 1097600042 /nfs/dbraw/zinc/60/00/42/1097600042.db2.gz FVVHYWUFDGVLLO-UHFFFAOYSA-N 0 0 305.337 3.460 20 10 DGCDRN CC(C)CNC(=O)c1ccc(Nc2cccc(O)c2O)cc1 ZINC001174078975 1097610748 /nfs/dbraw/zinc/61/07/48/1097610748.db2.gz IEAZWARPDPGWSS-UHFFFAOYSA-N 0 0 300.358 3.227 20 10 DGCDRN Cc1n[nH]c(C)c1-n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001174216204 1097646327 /nfs/dbraw/zinc/64/63/27/1097646327.db2.gz QKZICRVSOHRTJR-KANDFARZSA-N 0 0 307.361 3.294 20 10 DGCDRN Nc1ccc(OCCOc2ccc(Nc3cn[nH]c3)cc2)cc1 ZINC001174297715 1097659627 /nfs/dbraw/zinc/65/96/27/1097659627.db2.gz MSQNWWNZDUAFPF-UHFFFAOYSA-N 0 0 310.357 3.193 20 10 DGCDRN Cn1cc(N(Cc2ccccc2)c2ccc(N)cc2)ccc1=O ZINC001174361071 1097695286 /nfs/dbraw/zinc/69/52/86/1097695286.db2.gz ZDBFDMVCNXVTGV-UHFFFAOYSA-N 0 0 305.381 3.306 20 10 DGCDRN C[N@H+](Cc1ccc(C(=O)[O-])cc1O)Cc1ccccc1Cl ZINC001231451769 1097752132 /nfs/dbraw/zinc/75/21/32/1097752132.db2.gz UQVNTOBNMRLSAV-UHFFFAOYSA-N 0 0 305.761 3.376 20 10 DGCDRN C[N@H+](Cc1ccc(C(=O)[O-])cc1O)Cc1ccc(F)cc1F ZINC001231454137 1097753534 /nfs/dbraw/zinc/75/35/34/1097753534.db2.gz OJXRSMZVEWIULB-UHFFFAOYSA-N 0 0 307.296 3.001 20 10 DGCDRN COc1ccc(Br)c(CN2CC3(CCC3)C2)c1O ZINC001231550261 1097778216 /nfs/dbraw/zinc/77/82/16/1097778216.db2.gz LUJGTCOEJXZOQS-UHFFFAOYSA-N 0 0 312.207 3.149 20 10 DGCDRN O=C([O-])c1ccc(O)c(C[N@@H+]2CCc3ccc(Cl)cc3C2)c1 ZINC001231559351 1097779137 /nfs/dbraw/zinc/77/91/37/1097779137.db2.gz BFHNNGXZULRWSR-UHFFFAOYSA-N 0 0 317.772 3.302 20 10 DGCDRN C[N@H+](CCc1ccc(Cl)cc1)Cc1cc(C(=O)[O-])ccc1O ZINC001231563450 1097779243 /nfs/dbraw/zinc/77/92/43/1097779243.db2.gz ADFGKXXNJSAMQF-UHFFFAOYSA-N 0 0 319.788 3.418 20 10 DGCDRN C[N@H+](CCc1ccccc1Cl)Cc1cc(C(=O)[O-])ccc1O ZINC001231563530 1097779441 /nfs/dbraw/zinc/77/94/41/1097779441.db2.gz CCGJBZODAVVFED-UHFFFAOYSA-N 0 0 319.788 3.418 20 10 DGCDRN CCn1cc(Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cn1 ZINC001174567548 1097779835 /nfs/dbraw/zinc/77/98/35/1097779835.db2.gz FWEBMDSPJYLSEZ-UHFFFAOYSA-N 0 0 317.348 3.422 20 10 DGCDRN C[C@]1(CO)CC(F)(F)CN1Cc1c(O)ccc2ccccc21 ZINC001231586134 1097785884 /nfs/dbraw/zinc/78/58/84/1097785884.db2.gz ATGRREBLWZKULK-MRXNPFEDSA-N 0 0 307.340 3.137 20 10 DGCDRN OC[C@H]1CCC(F)(F)CN1Cc1c(O)ccc2ccccc21 ZINC001231588299 1097786050 /nfs/dbraw/zinc/78/60/50/1097786050.db2.gz PAMOQIRXAPQLBN-CYBMUJFWSA-N 0 0 307.340 3.137 20 10 DGCDRN OC[C@H]1CCC(F)(F)CN1Cc1ccc2ccccc2c1O ZINC001231879976 1097876897 /nfs/dbraw/zinc/87/68/97/1097876897.db2.gz YVQGXBNNXFPRSR-CQSZACIVSA-N 0 0 307.340 3.137 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001231911611 1097889511 /nfs/dbraw/zinc/88/95/11/1097889511.db2.gz IOZNVTHPCUXDBZ-OAHLLOKOSA-N 0 0 318.804 3.484 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H](C(F)(F)F)[C@H]1CO ZINC001231910972 1097890169 /nfs/dbraw/zinc/89/01/69/1097890169.db2.gz XGMJPDIJWFDYSV-ZYHUDNBSSA-N 0 0 323.742 3.181 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001231913485 1097890529 /nfs/dbraw/zinc/89/05/29/1097890529.db2.gz KJBWNMMNCTWXRD-OAHLLOKOSA-N 0 0 318.804 3.484 20 10 DGCDRN Cc1cnccc1O[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001231913201 1097890587 /nfs/dbraw/zinc/89/05/87/1097890587.db2.gz HXKKUUYBWBRRAN-AWEZNQCLSA-N 0 0 318.804 3.402 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001231914492 1097892153 /nfs/dbraw/zinc/89/21/53/1097892153.db2.gz MWHUFHPNORWRLP-UHFFFAOYSA-N 0 0 319.788 3.405 20 10 DGCDRN COc1ccc(N2CCN(Cc3c(C)cccc3F)CC2)cc1 ZINC001232482637 1098054245 /nfs/dbraw/zinc/05/42/45/1098054245.db2.gz SRSADIMTQPFROC-UHFFFAOYSA-N 0 0 314.404 3.465 20 10 DGCDRN COc1ccc(N(c2ccc(N)cc2)c2cnc(N)nc2C)cc1 ZINC001175671737 1098132756 /nfs/dbraw/zinc/13/27/56/1098132756.db2.gz YZVHPDOAFAGGQY-UHFFFAOYSA-N 0 0 321.384 3.428 20 10 DGCDRN CN(C)c1ccc(C[N@H+](C)Cc2ccc(Cl)nc2)c(O)c1 ZINC001232840193 1098150402 /nfs/dbraw/zinc/15/04/02/1098150402.db2.gz OUKHEBFSWSKOPV-UHFFFAOYSA-N 0 0 305.809 3.139 20 10 DGCDRN Oc1cc(CN2CCC[C@H]2c2cccc(F)c2)cc(O)c1O ZINC001233014021 1098203892 /nfs/dbraw/zinc/20/38/92/1098203892.db2.gz WTLZJJHTDCIIOP-AWEZNQCLSA-N 0 0 303.333 3.280 20 10 DGCDRN COCC[N@H+](Cc1c([O-])cc(Br)cc1F)C(C)C ZINC001233030888 1098207024 /nfs/dbraw/zinc/20/70/24/1098207024.db2.gz QVYSZZRPXOBKJY-UHFFFAOYSA-N 0 0 320.202 3.151 20 10 DGCDRN [O-]c1c(C[N@@H+]2CCC[C@H]2Cc2ccccn2)ccc(F)c1F ZINC001233077095 1098218937 /nfs/dbraw/zinc/21/89/37/1098218937.db2.gz DHDSSLCMSQMCBO-AWEZNQCLSA-N 0 0 304.340 3.273 20 10 DGCDRN COc1cc(O)c(CN2CC(C)(C)C2)cc1Br ZINC001233135526 1098235634 /nfs/dbraw/zinc/23/56/34/1098235634.db2.gz UCVQHZVZUZAKRL-UHFFFAOYSA-N 0 0 300.196 3.005 20 10 DGCDRN CC(=O)N1CC=C(N(Cc2ccccc2)c2ccc(N)cc2)CC1 ZINC001176036277 1098240045 /nfs/dbraw/zinc/24/00/45/1098240045.db2.gz TYFTZWQQEMPSIB-UHFFFAOYSA-N 0 0 321.424 3.412 20 10 DGCDRN COc1cc(Cl)cc(CN2CC3(C2)C[C@@H](F)CS3)c1O ZINC001233290210 1098278239 /nfs/dbraw/zinc/27/82/39/1098278239.db2.gz OTQPSBKKTIZISG-LLVKDONJSA-N 0 0 317.813 3.084 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2cnc(C)o2)C1 ZINC001233367258 1098303353 /nfs/dbraw/zinc/30/33/53/1098303353.db2.gz VMEHUMYJLWAWRH-UHFFFAOYSA-N 0 0 311.385 3.042 20 10 DGCDRN [O-]c1c(C[N@H+]2CCC[C@](F)(CO)CC2)cccc1C(F)(F)F ZINC001233415933 1098322939 /nfs/dbraw/zinc/32/29/39/1098322939.db2.gz OROUTQWTIWQXMH-CQSZACIVSA-N 0 0 321.314 3.098 20 10 DGCDRN C[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])[C@H]1CO ZINC001233415735 1098323411 /nfs/dbraw/zinc/32/34/11/1098323411.db2.gz HEJVRDLRNGQHJW-MFKMUULPSA-N 0 0 303.324 3.004 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)cccc1C(F)(F)F ZINC001233416687 1098323603 /nfs/dbraw/zinc/32/36/03/1098323603.db2.gz RMTGKKCSBNKSGE-RISCZKNCSA-N 0 0 315.335 3.412 20 10 DGCDRN C[C@]1(O)CCCC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233415657 1098323733 /nfs/dbraw/zinc/32/37/33/1098323733.db2.gz DMAQFMPYCWBZTM-AWEZNQCLSA-N 0 0 303.324 3.148 20 10 DGCDRN CC(C)[C@@H]1COCCN1Cc1cccc(C(F)(F)F)c1O ZINC001233418798 1098324314 /nfs/dbraw/zinc/32/43/14/1098324314.db2.gz WXTBGTGALJWUKB-ZDUSSCGKSA-N 0 0 303.324 3.268 20 10 DGCDRN COC(=O)[C@H](C(C)C)N(C)Cc1ccc(C(F)(F)F)cc1O ZINC001233454634 1098341038 /nfs/dbraw/zinc/34/10/38/1098341038.db2.gz CSZYQUJSFNQKPE-ZDUSSCGKSA-N 0 0 319.323 3.040 20 10 DGCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@@H](C)c1ncccn1 ZINC001233495622 1098350504 /nfs/dbraw/zinc/35/05/04/1098350504.db2.gz QCEMUNOMVCJJAI-JTQLQIEISA-N 0 0 302.330 3.011 20 10 DGCDRN CN(Cc1cccc(OC(F)(F)F)c1O)CC(F)(F)F ZINC001233728254 1098417970 /nfs/dbraw/zinc/41/79/70/1098417970.db2.gz VEFIRCNEAMYESA-UHFFFAOYSA-N 0 0 303.202 3.285 20 10 DGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)CCn2ccnc2)cc1 ZINC001176878192 1098446285 /nfs/dbraw/zinc/44/62/85/1098446285.db2.gz FWAACDWIWKXQCD-UHFFFAOYSA-N 0 0 320.396 3.089 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCCn1cnc2ccccc21 ZINC001177127955 1098475183 /nfs/dbraw/zinc/47/51/83/1098475183.db2.gz XWNSVAJPXQHPDR-UHFFFAOYSA-N 0 0 317.339 3.200 20 10 DGCDRN CCOCc1cc(CNCc2ncccc2F)ccc1OC ZINC001178628782 1098894557 /nfs/dbraw/zinc/89/45/57/1098894557.db2.gz FJMKCHXGLCFVSN-UHFFFAOYSA-N 0 0 304.365 3.056 20 10 DGCDRN Cc1cc(C)c(CNC(=O)[C@@H]2CCC(=O)c3ccccc32)c(O)c1 ZINC001178929147 1098965061 /nfs/dbraw/zinc/96/50/61/1098965061.db2.gz MLDUNLQCPKSHQL-MRXNPFEDSA-N 0 0 323.392 3.386 20 10 DGCDRN Cc1cc(C)cc(C2(C(=O)NCc3c(O)cccc3O)CC2)c1 ZINC001178912274 1098968923 /nfs/dbraw/zinc/96/89/23/1098968923.db2.gz RKAVRXIBYQCEBP-UHFFFAOYSA-N 0 0 311.381 3.063 20 10 DGCDRN O=C(NCc1c(O)cccc1O)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001178912699 1098970615 /nfs/dbraw/zinc/97/06/15/1098970615.db2.gz WTAMIMCAJRDGRO-HUUCEWRRSA-N 0 0 311.381 3.298 20 10 DGCDRN CCCCO[C@@H](C)C(=O)NCc1c(O)ccc2ccccc21 ZINC001179030050 1099004216 /nfs/dbraw/zinc/00/42/16/1099004216.db2.gz XWYMXBMSNLHYOO-ZDUSSCGKSA-N 0 0 301.386 3.367 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1cncc(F)c1Cl)CCC2 ZINC001235498877 1099065341 /nfs/dbraw/zinc/06/53/41/1099065341.db2.gz LDRMXIVOYYILLI-UHFFFAOYSA-N 0 0 322.767 3.234 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2ccc(N)cc2)C1 ZINC001235838780 1099203151 /nfs/dbraw/zinc/20/31/51/1099203151.db2.gz BXKLJZPJFRFAAM-UHFFFAOYSA-N 0 0 321.424 3.327 20 10 DGCDRN C[C@@H](c1ccccc1)[N@H+](CCO)Cc1cc(F)cc(F)c1[O-] ZINC001180001752 1099270314 /nfs/dbraw/zinc/27/03/14/1099270314.db2.gz CMTHKELFZBRZPZ-LBPRGKRZSA-N 0 0 307.340 3.226 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1ccc2cc[nH]c2c1 ZINC001180409910 1099411232 /nfs/dbraw/zinc/41/12/32/1099411232.db2.gz IIURIZBYDXGEEL-UHFFFAOYSA-N 0 0 300.745 3.457 20 10 DGCDRN Cc1cc(C)c(CNC(=O)[C@H](C)Oc2ccccc2C)c(O)c1 ZINC001180528396 1099440098 /nfs/dbraw/zinc/44/00/98/1099440098.db2.gz WNIFQHPKIYTZGL-HNNXBMFYSA-N 0 0 313.397 3.401 20 10 DGCDRN CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(F)cc(F)c1[O-] ZINC001180505001 1099447760 /nfs/dbraw/zinc/44/77/60/1099447760.db2.gz CGUDJFJSZQXFIJ-UHFFFAOYSA-N 0 0 321.323 3.421 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2cnn(CC3OCCO3)c2)cc1 ZINC001236302398 1099523303 /nfs/dbraw/zinc/52/33/03/1099523303.db2.gz VKEHHMZJWNKSMR-UHFFFAOYSA-N 0 0 323.396 3.331 20 10 DGCDRN Oc1ccc(Cl)cc1CN1CCO[C@H](c2ccccn2)C1 ZINC001203663680 1099539663 /nfs/dbraw/zinc/53/96/63/1099539663.db2.gz DBZISAZNOGKYDM-INIZCTEOSA-N 0 0 304.777 3.014 20 10 DGCDRN COc1cc(CN2C[C@H](F)C[C@H]2C)c(O)cc1Br ZINC001236745067 1099769651 /nfs/dbraw/zinc/76/96/51/1099769651.db2.gz MGHKKHMICOFKKJ-PSASIEDQSA-N 0 0 318.186 3.096 20 10 DGCDRN CCc1ccc(CN2[C@@H](CO)CCC[C@@H]2C(F)(F)F)c(O)c1 ZINC001236784728 1099783581 /nfs/dbraw/zinc/78/35/81/1099783581.db2.gz ZNQZFQMHMKVWIX-UKRRQHHQSA-N 0 0 317.351 3.232 20 10 DGCDRN COc1ccc(NC(=O)N[C@@H](C)c2ccccc2O)c(OC)c1 ZINC001188567522 1099784786 /nfs/dbraw/zinc/78/47/86/1099784786.db2.gz VSLPEGPGULCGMU-NSHDSACASA-N 0 0 316.357 3.292 20 10 DGCDRN COC(=O)[C@@]1(C)CCCN1Cc1cc(Cl)c(Cl)cc1O ZINC001236794073 1099786965 /nfs/dbraw/zinc/78/69/65/1099786965.db2.gz PBMWOGHBJAAGOY-CQSZACIVSA-N 0 0 318.200 3.227 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])CCC[C@@H]1O ZINC001236794973 1099790661 /nfs/dbraw/zinc/79/06/61/1099790661.db2.gz YPIWLPXCKKNTPU-RNCFNFMXSA-N 0 0 304.217 3.292 20 10 DGCDRN COc1ccc(C[N@@H+]2CCC[C@@](C)(CO)CC2)c([O-])c1Cl ZINC001236801159 1099796988 /nfs/dbraw/zinc/79/69/88/1099796988.db2.gz GGUOFQHNEOBWPE-MRXNPFEDSA-N 0 0 313.825 3.039 20 10 DGCDRN COc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c([O-])c1Cl ZINC001236801699 1099797357 /nfs/dbraw/zinc/79/73/57/1099797357.db2.gz LXSBAAYWNYIBPK-AAEUAGOBSA-N 0 0 311.809 3.055 20 10 DGCDRN COc1ccc(C[N@@H+]2CCC[C@@H]2C(C)(C)OC)c([O-])c1Cl ZINC001236808487 1099799540 /nfs/dbraw/zinc/79/95/40/1099799540.db2.gz BUSWVXDPVOUTRI-CYBMUJFWSA-N 0 0 313.825 3.444 20 10 DGCDRN CC[N@H+](Cc1ccccn1)Cc1ccc(OC)c(Cl)c1[O-] ZINC001236812469 1099802792 /nfs/dbraw/zinc/80/27/92/1099802792.db2.gz WSPRBAUTEXYUFQ-UHFFFAOYSA-N 0 0 306.793 3.471 20 10 DGCDRN COc1cc(C)c(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)c(O)c1 ZINC001236817094 1099803036 /nfs/dbraw/zinc/80/30/36/1099803036.db2.gz COCVPFJQBRLPRU-AWEZNQCLSA-N 0 0 303.324 3.278 20 10 DGCDRN OC[C@@H]1CCC(F)(F)CN1Cc1cc2ccccc2cc1O ZINC001236826746 1099810742 /nfs/dbraw/zinc/81/07/42/1099810742.db2.gz MEIZTGQDBQAPKS-HNNXBMFYSA-N 0 0 307.340 3.137 20 10 DGCDRN CN(CC(=O)OC(C)(C)C)Cc1cc2ccccc2cc1O ZINC001236831085 1099816485 /nfs/dbraw/zinc/81/64/85/1099816485.db2.gz SEWRACLNZBZUTF-UHFFFAOYSA-N 0 0 301.386 3.319 20 10 DGCDRN CC(C)c1nnc2n1CCN(Cc1cc3ccccc3cc1O)C2 ZINC001236841632 1099827046 /nfs/dbraw/zinc/82/70/46/1099827046.db2.gz NDIAJLHATNTULQ-UHFFFAOYSA-N 0 0 322.412 3.276 20 10 DGCDRN CCOc1ccc(C[N@H+](C2CCC2)C2CCOCC2)c(O)c1 ZINC001237046829 1099942726 /nfs/dbraw/zinc/94/27/26/1099942726.db2.gz GQVYNXWGMIFXNB-UHFFFAOYSA-N 0 0 305.418 3.324 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2Cl)CC[C@]1(C)O ZINC001237078097 1099959498 /nfs/dbraw/zinc/95/94/98/1099959498.db2.gz NSPZCTIWJMDGPA-OTYXRUKQSA-N 0 0 304.217 3.292 20 10 DGCDRN Oc1cccc(OC(F)(F)F)c1CN1CC2(C1)CCCCO2 ZINC001237114458 1099976718 /nfs/dbraw/zinc/97/67/18/1099976718.db2.gz AJUVUQLBNFNSHZ-UHFFFAOYSA-N 0 0 317.307 3.046 20 10 DGCDRN C[C@@H]1CN(Cc2c(O)cccc2OC(F)(F)F)CCCC1=O ZINC001237118792 1099979568 /nfs/dbraw/zinc/97/95/68/1099979568.db2.gz BDJMOKITWJWGJM-SNVBAGLBSA-N 0 0 317.307 3.092 20 10 DGCDRN Oc1cccc(OC(F)(F)F)c1CN1Cc2cccnc2C1 ZINC001237119651 1099979877 /nfs/dbraw/zinc/97/98/77/1099979877.db2.gz JNJMHCVJKHKFFM-UHFFFAOYSA-N 0 0 310.275 3.202 20 10 DGCDRN Oc1ccc(F)c(Cl)c1CN1CCOC[C@@H]1c1cccnc1 ZINC001237130507 1099986394 /nfs/dbraw/zinc/98/63/94/1099986394.db2.gz NCPVNBJLHVVMQO-CQSZACIVSA-N 0 0 322.767 3.153 20 10 DGCDRN C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1c(O)ccc(F)c1Cl ZINC001237131869 1099986642 /nfs/dbraw/zinc/98/66/42/1099986642.db2.gz YAVSSOJSFWEZJW-VIFPVBQESA-N 0 0 317.788 3.347 20 10 DGCDRN O=C1CCC[C@H]2C[N@@H+](Cc3cc(C(F)(F)F)ccc3O)C[C@@H]12 ZINC001237143800 1099992161 /nfs/dbraw/zinc/99/21/61/1099992161.db2.gz OLOLQTGYJDPRRJ-GXFFZTMASA-N 0 0 313.319 3.212 20 10 DGCDRN COC(=O)c1cc(OC[C@H]2CC2(Cl)Cl)ccc1N(C)C ZINC001189968249 1100160494 /nfs/dbraw/zinc/16/04/94/1100160494.db2.gz OZPYCQVJLOVELQ-SECBINFHSA-N 0 0 318.200 3.112 20 10 DGCDRN COC(=O)c1cc(OC[C@H]2CCCC(C)(C)O2)ccc1N(C)C ZINC001189977039 1100164922 /nfs/dbraw/zinc/16/49/22/1100164922.db2.gz FFCYKDZZFQZNFF-CQSZACIVSA-N 0 0 321.417 3.266 20 10 DGCDRN COC[C@@]12CCC[C@@H]1C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C2 ZINC001237620584 1100190803 /nfs/dbraw/zinc/19/08/03/1100190803.db2.gz VOUAVFIXQNLGCM-WBMJQRKESA-N 0 0 313.800 3.433 20 10 DGCDRN Cc1cc(Cl)cc(CN2CCC[C@@H]2c2ncccn2)c1O ZINC001237688275 1100214879 /nfs/dbraw/zinc/21/48/79/1100214879.db2.gz GTKRQZMMKCXTJE-CQSZACIVSA-N 0 0 303.793 3.481 20 10 DGCDRN Cc1cc(Cl)cc(CN2CCO[C@H](c3ccccn3)C2)c1O ZINC001237687335 1100215285 /nfs/dbraw/zinc/21/52/85/1100215285.db2.gz XJUHIPFFUZLINW-INIZCTEOSA-N 0 0 318.804 3.323 20 10 DGCDRN [O-]c1c(Cl)cc(F)cc1C[NH+]1CCC2(C[C@H]2CCO)CC1 ZINC001237804362 1100252070 /nfs/dbraw/zinc/25/20/70/1100252070.db2.gz CLAYXXVBNXJDJV-GFCCVEGCSA-N 0 0 313.800 3.169 20 10 DGCDRN C[C@H]1C[N@H+](Cc2cc(F)cc(Cl)c2[O-])CCC[C@@]1(C)O ZINC001237807945 1100253266 /nfs/dbraw/zinc/25/32/66/1100253266.db2.gz OSJPKVFGJRFJKN-ZUZCIYMTSA-N 0 0 301.789 3.168 20 10 DGCDRN [O-]c1cc(Cl)c(F)cc1C[NH+]1CCC(n2cccn2)CC1 ZINC001237950447 1100300676 /nfs/dbraw/zinc/30/06/76/1100300676.db2.gz UHGCJBHJYFPNKF-UHFFFAOYSA-N 0 0 309.772 3.218 20 10 DGCDRN Cc1noc([C@@H]2CCCN2Cc2cc(F)c(Cl)cc2O)n1 ZINC001237950231 1100301550 /nfs/dbraw/zinc/30/15/50/1100301550.db2.gz REMRZLDDKGELOR-LBPRGKRZSA-N 0 0 311.744 3.213 20 10 DGCDRN CN(Cc1cnc(C(F)(F)F)s1)Cc1ccccc1O ZINC001237951593 1100301790 /nfs/dbraw/zinc/30/17/90/1100301790.db2.gz HWSQMKWRUJAONH-UHFFFAOYSA-N 0 0 302.321 3.500 20 10 DGCDRN COC(=O)CN(Cc1ccc(N2CCCCC2)c(C)c1)C(C)C ZINC001191664095 1100499677 /nfs/dbraw/zinc/49/96/77/1100499677.db2.gz LHYCHDPGLQGKMQ-UHFFFAOYSA-N 0 0 318.461 3.369 20 10 DGCDRN Cc1ccc(Cl)c(NC(=O)NCc2cccc(O)c2O)c1 ZINC001191724297 1100502579 /nfs/dbraw/zinc/50/25/79/1100502579.db2.gz NXARJXGWNXFVQN-UHFFFAOYSA-N 0 0 306.749 3.381 20 10 DGCDRN O=S(=O)(Cc1ccc(Cl)cc1F)Nc1ccc(O)cc1 ZINC001191857210 1100525982 /nfs/dbraw/zinc/52/59/82/1100525982.db2.gz YVIPXPJQIKWFCL-UHFFFAOYSA-N 0 0 315.753 3.127 20 10 DGCDRN CCCCOc1ncc(-c2ccc3ncc(=O)n(C)c3c2)cc1C ZINC001238963075 1100564951 /nfs/dbraw/zinc/56/49/51/1100564951.db2.gz BZSKWZRBLVCXKS-UHFFFAOYSA-N 0 0 323.396 3.483 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)Nc1ccc(OC(F)F)cc1 ZINC001192202917 1100584902 /nfs/dbraw/zinc/58/49/02/1100584902.db2.gz UFFXSZGEIBFDQZ-UHFFFAOYSA-N 0 0 324.283 3.021 20 10 DGCDRN Nc1ccc(CCNC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC001239253021 1100610331 /nfs/dbraw/zinc/61/03/31/1100610331.db2.gz YYNPMXNYVOYGIE-UHFFFAOYSA-N 0 0 307.756 3.426 20 10 DGCDRN COc1cc(C(=O)N[C@H]2C[C@@H](C)CC(C)(C)C2)cc(OC)n1 ZINC001192422102 1100615754 /nfs/dbraw/zinc/61/57/54/1100615754.db2.gz CFPBUVBAYMIJRH-YPMHNXCESA-N 0 0 306.406 3.043 20 10 DGCDRN CCOC(=O)CCCCCN(C)c1ccc(OC)cc1OC ZINC001192401206 1100617611 /nfs/dbraw/zinc/61/76/11/1100617611.db2.gz LZZYAGJPFRVTMD-UHFFFAOYSA-N 0 0 309.406 3.264 20 10 DGCDRN COc1ncc(-c2cc(N(C)c3ccccc3)ncn2)cc1F ZINC001239503639 1100678871 /nfs/dbraw/zinc/67/88/71/1100678871.db2.gz FORGGGSEZJCBTB-UHFFFAOYSA-N 0 0 310.332 3.454 20 10 DGCDRN CC(C)N(C)C(=O)c1csc(-c2ccc(N(C)C)cc2)n1 ZINC001193161599 1100714126 /nfs/dbraw/zinc/71/41/26/1100714126.db2.gz NXXNAWCICIEJQC-UHFFFAOYSA-N 0 0 303.431 3.357 20 10 DGCDRN O=C(N[C@H]1CCCC(F)(F)C1)c1ccc(O)c(O)c1Cl ZINC001193236468 1100719302 /nfs/dbraw/zinc/71/93/02/1100719302.db2.gz DPLFPPOFDZVJJZ-ZETCQYMHSA-N 0 0 305.708 3.059 20 10 DGCDRN Cc1c(C(=O)NCCO)cc(-c2ccccc2)n1-c1ccccc1 ZINC001193559455 1100770862 /nfs/dbraw/zinc/77/08/62/1100770862.db2.gz JSRMYRBMOSLDHV-UHFFFAOYSA-N 0 0 320.392 3.175 20 10 DGCDRN CCCn1cc(-c2ccn(Cc3ccccc3F)c(=O)c2)cn1 ZINC001240133975 1100875424 /nfs/dbraw/zinc/87/54/24/1100875424.db2.gz ZZCVTYGGIAIXSS-UHFFFAOYSA-N 0 0 311.360 3.309 20 10 DGCDRN O=c1cc(-c2ccc3nccn3c2)ccn1Cc1cccc(F)c1 ZINC001240221672 1100901035 /nfs/dbraw/zinc/90/10/35/1100901035.db2.gz PEZOHVFCKPPBMG-UHFFFAOYSA-N 0 0 319.339 3.350 20 10 DGCDRN CC[C@@H](C)COC(=O)N1CCN(c2ccc(OC)cc2C)CC1 ZINC001194795472 1101005914 /nfs/dbraw/zinc/00/59/14/1101005914.db2.gz DXUYZGWYVQKAKS-CQSZACIVSA-N 0 0 320.433 3.308 20 10 DGCDRN COC(=O)c1cnc(-c2cnc3[nH]c(C)cc3c2)c2ccn(C)c21 ZINC001240475757 1101011670 /nfs/dbraw/zinc/01/16/70/1101011670.db2.gz YLBKSGVIMAWRDV-UHFFFAOYSA-N 0 0 320.352 3.212 20 10 DGCDRN Cc1cc2cc(-c3nnc(C)cc3-c3nccn3C)cnc2[nH]1 ZINC001240479636 1101015269 /nfs/dbraw/zinc/01/52/69/1101015269.db2.gz ARYQPGRYBPMVTC-UHFFFAOYSA-N 0 0 304.357 3.037 20 10 DGCDRN Cn1ccc2c1ncnc2-c1cnc(Cl)n1[C@@H]1CCCCO1 ZINC001240520152 1101033008 /nfs/dbraw/zinc/03/30/08/1101033008.db2.gz KGZRAEMBJSKGLW-LBPRGKRZSA-N 0 0 317.780 3.184 20 10 DGCDRN CC[C@H](C)n1c(=O)[nH]c(C)c(-c2ccc3ccn(C)c3c2)c1=O ZINC001240574802 1101055643 /nfs/dbraw/zinc/05/56/43/1101055643.db2.gz DNQWUOWNUPKRFV-NSHDSACASA-N 0 0 311.385 3.387 20 10 DGCDRN Cn1ccc2ccc(-c3ccc(CN4CCOCC4)nc3)cc21 ZINC001240575079 1101056043 /nfs/dbraw/zinc/05/60/43/1101056043.db2.gz RLHUMIMVDWKDNG-UHFFFAOYSA-N 0 0 307.397 3.073 20 10 DGCDRN Cn1ccc2ccc(-c3cnn(-c4ccccc4)c(=O)c3)cc21 ZINC001240576168 1101057254 /nfs/dbraw/zinc/05/72/54/1101057254.db2.gz NGNMTMFAVVFLMC-UHFFFAOYSA-N 0 0 301.349 3.391 20 10 DGCDRN CCn1cc(-c2ncnc3c2ccn3Cc2ccccc2)cn1 ZINC001240647981 1101082431 /nfs/dbraw/zinc/08/24/31/1101082431.db2.gz MVBMLOITFDEGSY-UHFFFAOYSA-N 0 0 303.369 3.363 20 10 DGCDRN COc1cc2c(c(OC)c1)N(C[C@@H]1CC[C@H](C3CC3)O1)CCC2 ZINC001195176579 1101092377 /nfs/dbraw/zinc/09/23/77/1101092377.db2.gz BBYUZARWQZVKQA-DOTOQJQBSA-N 0 0 317.429 3.414 20 10 DGCDRN Cn1cc(NC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)nn1 ZINC001195262237 1101107465 /nfs/dbraw/zinc/10/74/65/1101107465.db2.gz NGEUTKLKZCXKRB-VHEBQXMUSA-N 0 0 322.328 3.188 20 10 DGCDRN Cc1cncc(-c2ncnc3c2ccn3COC(=O)C(C)(C)C)c1 ZINC001240801450 1101142434 /nfs/dbraw/zinc/14/24/34/1101142434.db2.gz KEENDIYEFZLUHZ-UHFFFAOYSA-N 0 0 324.384 3.349 20 10 DGCDRN CC(C)Oc1ccc(-c2ccn(Cc3ccccn3)c(=O)c2)cn1 ZINC001240811312 1101145615 /nfs/dbraw/zinc/14/56/15/1101145615.db2.gz RRINPBSJAXHRCN-UHFFFAOYSA-N 0 0 321.380 3.141 20 10 DGCDRN Cc1cc(-c2nccn2C)c(-c2cccc3cccnc32)nn1 ZINC001240891355 1101170119 /nfs/dbraw/zinc/17/01/19/1101170119.db2.gz DBHILQUDFOQMGS-UHFFFAOYSA-N 0 0 301.353 3.401 20 10 DGCDRN Cc1cc(C)c(CNC(=S)NCc2ccccc2)c(O)c1 ZINC001195649152 1101174758 /nfs/dbraw/zinc/17/47/58/1101174758.db2.gz AZWZUVXPMCGMOD-UHFFFAOYSA-N 0 0 300.427 3.173 20 10 DGCDRN Cn1ccc(-c2cnc3ccc(C(F)(F)F)cc3n2)cc1=O ZINC001240968877 1101202410 /nfs/dbraw/zinc/20/24/10/1101202410.db2.gz HZWBFWSRNKIHGR-UHFFFAOYSA-N 0 0 305.259 3.014 20 10 DGCDRN Cc1c[nH]c2ncc(-c3ccn(CC(F)(F)F)c(=O)c3)cc12 ZINC001240969018 1101202577 /nfs/dbraw/zinc/20/25/77/1101202577.db2.gz KRRXRQVESHPKDX-UHFFFAOYSA-N 0 0 307.275 3.262 20 10 DGCDRN Cn1ccc(-c2cnc(F)c(OCc3ccccc3)c2)cc1=O ZINC001240989249 1101211531 /nfs/dbraw/zinc/21/15/31/1101211531.db2.gz UYWQXQZTIMKWAR-UHFFFAOYSA-N 0 0 310.328 3.165 20 10 DGCDRN Cn1ccc(-c2ccc3nc(-c4ccccc4)cn3c2)cc1=O ZINC001240996375 1101213598 /nfs/dbraw/zinc/21/35/98/1101213598.db2.gz XJPGMAYRAJFQDC-UHFFFAOYSA-N 0 0 301.349 3.367 20 10 DGCDRN COC(=O)c1ccc(C2=CCN(c3ccccc3)CC2)c(OC)n1 ZINC001241356248 1101399476 /nfs/dbraw/zinc/39/94/76/1101399476.db2.gz YEMGCASEJLSWNC-UHFFFAOYSA-N 0 0 324.380 3.171 20 10 DGCDRN CN(C)C(=O)c1ccc(C2=CCN(c3ccccc3)CC2)cn1 ZINC001241355262 1101399815 /nfs/dbraw/zinc/39/98/15/1101399815.db2.gz WSOLDQPYNPSKJT-UHFFFAOYSA-N 0 0 307.397 3.077 20 10 DGCDRN CCOc1ccc(-c2ccn(Cc3cccc(F)c3)c(=O)c2)cn1 ZINC001241706056 1101649880 /nfs/dbraw/zinc/64/98/80/1101649880.db2.gz MLCDSJYWHIDKIJ-UHFFFAOYSA-N 0 0 324.355 3.496 20 10 DGCDRN C[C@@H](NC(=O)Nc1ccccc1-n1cccn1)c1ccccc1O ZINC001197983089 1101732964 /nfs/dbraw/zinc/73/29/64/1101732964.db2.gz PDNLYNRWYBDEPM-CYBMUJFWSA-N 0 0 322.368 3.461 20 10 DGCDRN CCOC(=O)c1cc2c(cc(C)nc2-c2cnn(C3CC3)c2)n1C ZINC001241905126 1101775019 /nfs/dbraw/zinc/77/50/19/1101775019.db2.gz FVLMKRATHMSLNQ-UHFFFAOYSA-N 0 0 324.384 3.257 20 10 DGCDRN Cc1cc(N)ncc1-c1cc(N2CCc3ccccc32)ncn1 ZINC001242078405 1101894775 /nfs/dbraw/zinc/89/47/75/1101894775.db2.gz ZQSWAEUXVZIRGU-UHFFFAOYSA-N 0 0 303.369 3.123 20 10 DGCDRN S=C(NCc1ccc(N2CCCC2)cc1)NC1CCCC1 ZINC001198562085 1101906235 /nfs/dbraw/zinc/90/62/35/1101906235.db2.gz CBHBTRLPWQSVRV-UHFFFAOYSA-N 0 0 303.475 3.194 20 10 DGCDRN O=C(c1ccc2c(c1)CCCC2=O)N1CCc2cccc(O)c2C1 ZINC001198894129 1102013227 /nfs/dbraw/zinc/01/32/27/1102013227.db2.gz YZQWRVQIYIIJES-UHFFFAOYSA-N 0 0 321.376 3.110 20 10 DGCDRN O=c1cc(-c2cccc3cc[nH]c32)ccn1Cc1cccnc1 ZINC001242362076 1102077236 /nfs/dbraw/zinc/07/72/36/1102077236.db2.gz XYAAINOZUTWMSD-UHFFFAOYSA-N 0 0 301.349 3.440 20 10 DGCDRN COCCn1ccc2c1ncnc2-c1cccnc1C(F)(F)F ZINC001242372822 1102085818 /nfs/dbraw/zinc/08/58/18/1102085818.db2.gz RHZLOORSQZQPQX-UHFFFAOYSA-N 0 0 322.290 3.159 20 10 DGCDRN Cc1oncc1-c1ncccc1C(=O)N1CCc2ccccc21 ZINC001242600511 1102235714 /nfs/dbraw/zinc/23/57/14/1102235714.db2.gz HIEPSHYRMRSDPN-UHFFFAOYSA-N 0 0 305.337 3.248 20 10 DGCDRN Cc1cccnc1CNC(=S)Nc1ccc(-n2cccn2)cc1 ZINC001200872486 1102429424 /nfs/dbraw/zinc/42/94/24/1102429424.db2.gz JIWUFBJHNAEBDE-UHFFFAOYSA-N 0 0 323.425 3.062 20 10 DGCDRN COc1ccc(CNC(=S)Nc2ccc(F)c(C)c2)nc1 ZINC001201044981 1102482703 /nfs/dbraw/zinc/48/27/03/1102482703.db2.gz OOQJHQGQSXUESI-UHFFFAOYSA-N 0 0 305.378 3.024 20 10 DGCDRN CC(=O)Nc1ccc(NCc2c(O)cc(C)cc2Cl)nc1 ZINC001201963808 1102773293 /nfs/dbraw/zinc/77/32/93/1102773293.db2.gz WNGYQXXGIHQGHM-UHFFFAOYSA-N 0 0 305.765 3.320 20 10 DGCDRN O=c1cc(-c2cccnc2C2CC2)ccn1Cc1ccncc1 ZINC001243690285 1102918085 /nfs/dbraw/zinc/91/80/85/1102918085.db2.gz CFZUNAJWYSWUFT-UHFFFAOYSA-N 0 0 303.365 3.231 20 10 DGCDRN COc1ncc(-c2ncnc3c2ccn3C)cc1C(F)(F)F ZINC001243743222 1102953617 /nfs/dbraw/zinc/95/36/17/1102953617.db2.gz QKSBAAVCJUGDAU-UHFFFAOYSA-N 0 0 308.263 3.058 20 10 DGCDRN C[C@@H]1C[C@@H](C[NH2+]Cc2cccc(Br)c2[O-])[C@@H](C)O1 ZINC000686514132 1103048388 /nfs/dbraw/zinc/04/83/88/1103048388.db2.gz XMLMVTDIUWWHNG-FOGDFJRCSA-N 0 0 314.223 3.058 20 10 DGCDRN C[C@@H]1CCC[C@@H](C[NH2+]Cc2cccc(Br)c2[O-])O1 ZINC000688867036 1103261936 /nfs/dbraw/zinc/26/19/36/1103261936.db2.gz RKCDUKIEPWDCGI-PWSUYJOCSA-N 0 0 314.223 3.202 20 10 DGCDRN COCCn1c(C)c(C)c2cc(-c3nnc(COC)o3)ccc21 ZINC001326309144 1103265822 /nfs/dbraw/zinc/26/58/22/1103265822.db2.gz LCBUJVBANYBRQV-UHFFFAOYSA-N 0 0 315.373 3.101 20 10 DGCDRN COC(=O)c1cnc(SCCOc2ccc(F)cc2)s1 ZINC001459105950 1103322528 /nfs/dbraw/zinc/32/25/28/1103322528.db2.gz OLWCMWLWBFEFGK-UHFFFAOYSA-N 0 0 313.375 3.240 20 10 DGCDRN Cc1cccc(CC(=O)Nc2c3nonc3ccc2Cl)c1 ZINC001326698255 1103410880 /nfs/dbraw/zinc/41/08/80/1103410880.db2.gz MQKBMNPMGXCSDP-UHFFFAOYSA-N 0 0 301.733 3.366 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)[C@@H]1CC1(Cl)Cl ZINC001326698175 1103411167 /nfs/dbraw/zinc/41/11/67/1103411167.db2.gz JVLMFWXSMAYZHM-BYPYZUCNSA-N 0 0 306.536 3.009 20 10 DGCDRN COCCn1ccc(-c2cc(-c3ccccc3)cnc2F)cc1=O ZINC001244470643 1103464229 /nfs/dbraw/zinc/46/42/29/1103464229.db2.gz HJASRDYIIRQZEF-UHFFFAOYSA-N 0 0 324.355 3.363 20 10 DGCDRN COCCn1ccc2c1ncnc2-c1cc(C)cc(Cl)c1N ZINC001244557192 1103521235 /nfs/dbraw/zinc/52/12/35/1103521235.db2.gz STUPALXVKUGLEE-UHFFFAOYSA-N 0 0 316.792 3.289 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H](C)n1cccc1 ZINC001327341387 1103625663 /nfs/dbraw/zinc/62/56/63/1103625663.db2.gz OECPFPWGTLSWIA-HZPDHXFCSA-N 0 0 313.445 3.171 20 10 DGCDRN Nc1c(Cl)cccc1-c1ccn(Cc2ccncc2)c(=O)c1 ZINC001245181406 1103894519 /nfs/dbraw/zinc/89/45/19/1103894519.db2.gz DEFNGKAEAFRHDF-UHFFFAOYSA-N 0 0 311.772 3.194 20 10 DGCDRN Cn1c(=O)ccc2ccc(-c3cncc(OCC4CC4)c3)cc21 ZINC001245246811 1103934064 /nfs/dbraw/zinc/93/40/64/1103934064.db2.gz HIJWMVZLFIGLMV-UHFFFAOYSA-N 0 0 306.365 3.389 20 10 DGCDRN COc1ccc(Cl)cc1CCNC(=O)C1=CC(=O)CS1 ZINC001328656327 1104013759 /nfs/dbraw/zinc/01/37/59/1104013759.db2.gz UTCVVQKTXIITBT-UHFFFAOYSA-N 0 0 311.790 3.088 20 10 DGCDRN O=c1cc(-c2c[nH]c3cnccc23)ccn1Cc1ccccc1 ZINC001245398261 1104028626 /nfs/dbraw/zinc/02/86/26/1104028626.db2.gz SQPWAGNHFHGQLC-UHFFFAOYSA-N 0 0 301.349 3.440 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc1F ZINC001328739796 1104048800 /nfs/dbraw/zinc/04/88/00/1104048800.db2.gz DEQNFNLLEQXWLO-AYOQOUSVSA-N 0 0 324.399 3.094 20 10 DGCDRN Cc1cccc(CNC(=S)N[C@@H](C)c2ccccc2)c1O ZINC001245552411 1104119970 /nfs/dbraw/zinc/11/99/70/1104119970.db2.gz LYBIKJPAAZLKHS-ZDUSSCGKSA-N 0 0 300.427 3.426 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H]2Cc2ccccc2)cc1 ZINC001137240288 1104193762 /nfs/dbraw/zinc/19/37/62/1104193762.db2.gz XHWODARJKPPSGY-MRXNPFEDSA-N 0 0 322.368 3.306 20 10 DGCDRN CCOC(=O)c1ccc(-c2ccc(C3=S=CC=C3)nn2)cc1C ZINC001245716313 1104205754 /nfs/dbraw/zinc/20/57/54/1104205754.db2.gz FQNMZNYGMYDOQN-UHFFFAOYSA-N 0 0 324.405 3.254 20 10 DGCDRN CCC[C@@H](C)c1cc(NC(=O)C=Cc2ccc(O)c(O)c2)n[nH]1 ZINC001329333493 1104223014 /nfs/dbraw/zinc/22/30/14/1104223014.db2.gz DMDNFJKGJYCFGK-BPOWMSRESA-N 0 0 315.373 3.376 20 10 DGCDRN CC(=O)c1cccc(C(=O)Nc2c3nonc3ccc2Cl)c1 ZINC001329518611 1104295763 /nfs/dbraw/zinc/29/57/63/1104295763.db2.gz LOOPOARDSMIERE-UHFFFAOYSA-N 0 0 315.716 3.331 20 10 DGCDRN CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2c1ccc(OC)cc1 ZINC001274791024 1104490336 /nfs/dbraw/zinc/49/03/36/1104490336.db2.gz ODTOXYDHXCHXEA-IAGOWNOFSA-N 0 0 302.418 3.065 20 10 DGCDRN O=C(c1cccs1)C1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC001330167150 1104491767 /nfs/dbraw/zinc/49/17/67/1104491767.db2.gz CAJXPWIFQYUCQR-UHFFFAOYSA-N 0 0 321.423 3.250 20 10 DGCDRN CCOc1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3[C@H](C)CC)cc1 ZINC001274791585 1104492141 /nfs/dbraw/zinc/49/21/41/1104492141.db2.gz VDASHPZKEZMCCX-ZTFGCOKTSA-N 0 0 316.445 3.454 20 10 DGCDRN [O-]c1c(C[NH2+]C2CCC3(CCOCC3)CC2)ccc(F)c1F ZINC001330626171 1104597804 /nfs/dbraw/zinc/59/78/04/1104597804.db2.gz YKJFEJPYXLTBFJ-UHFFFAOYSA-N 0 0 311.372 3.499 20 10 DGCDRN CS[C@@H]1CCC[C@@H](NC(=O)NCc2cc(C)ccc2O)C1 ZINC001330699272 1104623315 /nfs/dbraw/zinc/62/33/15/1104623315.db2.gz SWPOFTZTMLVVLA-ZIAGYGMSSA-N 0 0 308.447 3.174 20 10 DGCDRN Nc1ccc(Cc2nc(-c3cnccc3C(F)(F)F)no2)cc1 ZINC001248184039 1105062838 /nfs/dbraw/zinc/06/28/38/1105062838.db2.gz LWNKZANZCKZMAB-UHFFFAOYSA-N 0 0 320.274 3.323 20 10 DGCDRN Cc1cc(Cl)ccc1NC(=S)NCc1ncccc1O ZINC001248437997 1105113528 /nfs/dbraw/zinc/11/35/28/1105113528.db2.gz FECAADVFTCVDOL-UHFFFAOYSA-N 0 0 307.806 3.236 20 10 DGCDRN Fc1ccc(F)c(NC(=S)NCc2ncc(F)cc2F)c1 ZINC001248615092 1105137260 /nfs/dbraw/zinc/13/72/60/1105137260.db2.gz XYHVIBSEZBZAKO-UHFFFAOYSA-N 0 0 315.295 3.125 20 10 DGCDRN Cc1ccc(F)c(CNC(=S)Nc2cc(F)ccc2F)n1 ZINC001248617852 1105137281 /nfs/dbraw/zinc/13/72/81/1105137281.db2.gz LCSDDBREELVQMF-UHFFFAOYSA-N 0 0 311.332 3.294 20 10 DGCDRN COc1ccc(CN2CCc3cccc(O)c3C2)c(F)c1OC ZINC001248756460 1105155996 /nfs/dbraw/zinc/15/59/96/1105155996.db2.gz ILTSZYCYVXUISB-UHFFFAOYSA-N 0 0 317.360 3.107 20 10 DGCDRN COc1nccc(Cl)c1CN(C)Cc1ccc(N(C)C)cc1 ZINC001248795830 1105163253 /nfs/dbraw/zinc/16/32/53/1105163253.db2.gz VBCBSYUJUWZSHB-UHFFFAOYSA-N 0 0 319.836 3.442 20 10 DGCDRN CC(C)(C)c1cc(O)c(CN2CCC(=O)[C@H](F)C2)cc1Cl ZINC001248883914 1105186686 /nfs/dbraw/zinc/18/66/86/1105186686.db2.gz RUHWJTOJBAJPGU-CYBMUJFWSA-N 0 0 313.800 3.456 20 10 DGCDRN Cc1cc(-c2noc(CCc3ccc(O)c(O)c3)n2)ccc1F ZINC001248984082 1105208711 /nfs/dbraw/zinc/20/87/11/1105208711.db2.gz LRQLLFNCPBJXTN-UHFFFAOYSA-N 0 0 314.316 3.381 20 10 DGCDRN C[C@H]1CC(=O)CCN1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249223407 1105249982 /nfs/dbraw/zinc/24/99/82/1105249982.db2.gz FBOSLVSMUOPYPY-LBPRGKRZSA-N 0 0 301.386 3.130 20 10 DGCDRN CC(C)[C@H]1COCC[N@@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249252177 1105256889 /nfs/dbraw/zinc/25/68/89/1105256889.db2.gz HSAYQNUMXKPKCL-MRXNPFEDSA-N 0 0 317.429 3.433 20 10 DGCDRN COc1ccc(C)cc1NC(=S)NCc1cccc(F)n1 ZINC001249676089 1105351954 /nfs/dbraw/zinc/35/19/54/1105351954.db2.gz VDBFQZQMLKQMLK-UHFFFAOYSA-N 0 0 305.378 3.024 20 10 DGCDRN COc1nc(OC)c(N(C)c2ccc(N)cc2)cc1SC ZINC001250168793 1105458144 /nfs/dbraw/zinc/45/81/44/1105458144.db2.gz AAQGQUZLFFRATB-UHFFFAOYSA-N 0 0 305.403 3.171 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1coc2ccc(Cl)cc12 ZINC001137443413 1105524615 /nfs/dbraw/zinc/52/46/15/1105524615.db2.gz OKUJVECXPPJNPO-UHFFFAOYSA-N 0 0 317.728 3.427 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(CF)cc2)c1 ZINC001137473337 1105528123 /nfs/dbraw/zinc/52/81/23/1105528123.db2.gz GDCSLCAEQBFFCI-LLVKDONJSA-N 0 0 303.333 3.361 20 10 DGCDRN CCCOc1ccc2nc(-c3cc(O)c(O)c(O)c3)n(C)c2c1 ZINC001251248269 1105643913 /nfs/dbraw/zinc/64/39/13/1105643913.db2.gz IRMRKJCUYOJRCT-UHFFFAOYSA-N 0 0 314.341 3.146 20 10 DGCDRN CCCOc1ccccc1NC[C@H](O)COc1ccc(F)cc1 ZINC001251938603 1105712775 /nfs/dbraw/zinc/71/27/75/1105712775.db2.gz DYVPRDMKVZZFCS-HNNXBMFYSA-N 0 0 319.376 3.466 20 10 DGCDRN O=C(c1ccncc1)c1ccccc1NC[C@@H](O)c1ccccc1 ZINC001252001366 1105723376 /nfs/dbraw/zinc/72/33/76/1105723376.db2.gz VBBWRWCYQUORQT-LJQANCHMSA-N 0 0 318.376 3.458 20 10 DGCDRN CCCC[C@H](CC)COC[C@@H](O)CNc1cccc(O)c1O ZINC001253017928 1105877044 /nfs/dbraw/zinc/87/70/44/1105877044.db2.gz ZEXKYAPBXVXUKN-KBPBESRZSA-N 0 0 311.422 3.104 20 10 DGCDRN CC(=O)c1cc(NS(=O)(=O)C=Cc2ccccc2)ccc1O ZINC001253038807 1105881905 /nfs/dbraw/zinc/88/19/05/1105881905.db2.gz VPXBFNAUXSIQOB-MDZDMXLPSA-N 0 0 317.366 3.007 20 10 DGCDRN Nc1ccc(CCn2cc(-c3cc4ccccc4cn3)nn2)cc1 ZINC001254081582 1106015418 /nfs/dbraw/zinc/01/54/18/1106015418.db2.gz WXBSTCUAHPMDFD-UHFFFAOYSA-N 0 0 315.380 3.318 20 10 DGCDRN Oc1cc(-c2nnc([C@@H]3C[C@H]3c3ccccc3)o2)cc(O)c1O ZINC001254512028 1106087688 /nfs/dbraw/zinc/08/76/88/1106087688.db2.gz FHOUBSCHXSXEDJ-NWDGAFQWSA-N 0 0 310.309 3.125 20 10 DGCDRN Cc1ccc(C)c(S(=O)(=O)NCc2c(C)cc(C)cc2O)c1 ZINC001254834555 1106146305 /nfs/dbraw/zinc/14/63/05/1106146305.db2.gz DQOWEIMKHHJSQG-UHFFFAOYSA-N 0 0 319.426 3.104 20 10 DGCDRN CCc1nnc(-c2csc(-c3ccc(N(C)C)cc3)n2)o1 ZINC001255120422 1106183613 /nfs/dbraw/zinc/18/36/13/1106183613.db2.gz GKYKJPHNNCKMTI-UHFFFAOYSA-N 0 0 300.387 3.489 20 10 DGCDRN O=S(=O)(Nc1ccc(O)c(F)c1F)c1cccc(Cl)c1 ZINC001256784662 1106482712 /nfs/dbraw/zinc/48/27/12/1106482712.db2.gz AETAOQKQLLTJLJ-UHFFFAOYSA-N 0 0 319.716 3.125 20 10 DGCDRN CCOC(=O)C1(c2nnc(-c3ccc(-n4cccc4)cc3)o2)CC1 ZINC001256935358 1106513931 /nfs/dbraw/zinc/51/39/31/1106513931.db2.gz JHFCPICCSNTIOR-UHFFFAOYSA-N 0 0 323.352 3.122 20 10 DGCDRN CC1(C)OC[C@H](c2nnc(-c3ccc(-n4cccc4)cc3)o2)O1 ZINC001256965852 1106517609 /nfs/dbraw/zinc/51/76/09/1106517609.db2.gz LJBQZWDGSZBIFS-CQSZACIVSA-N 0 0 311.341 3.351 20 10 DGCDRN CCc1cc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)n(C)n1 ZINC001256974743 1106519227 /nfs/dbraw/zinc/51/92/27/1106519227.db2.gz IFVOXAHZPYTWLX-UHFFFAOYSA-N 0 0 319.368 3.490 20 10 DGCDRN Cc1cnc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)nc1 ZINC001256978829 1106519833 /nfs/dbraw/zinc/51/98/33/1106519833.db2.gz VBDNFMDHZXILMZ-UHFFFAOYSA-N 0 0 303.325 3.293 20 10 DGCDRN COc1nc(Cl)c(CN2CCCc3cc(OC)ccc32)n1C ZINC001320053570 1106824522 /nfs/dbraw/zinc/82/45/22/1106824522.db2.gz NZOMYDDERLNGTQ-UHFFFAOYSA-N 0 0 321.808 3.044 20 10 DGCDRN CCC[C@@](C)(NCc1ccc(N2CCCC2)cc1)C(=O)OC ZINC001320227942 1106934712 /nfs/dbraw/zinc/93/47/12/1106934712.db2.gz ILFZXGPPJNRDBZ-GOSISDBHSA-N 0 0 304.434 3.108 20 10 DGCDRN CCN1C(=O)/C(=C/c2nc3c(s2)C[C@H](C)CC3)SC1=S ZINC001320399804 1106993059 /nfs/dbraw/zinc/99/30/59/1106993059.db2.gz WKQGUNKLYOXXJO-XNYAHFKXSA-N 0 0 324.496 3.489 20 10 DGCDRN C[C@@H](Nc1cnn(Cc2cccnc2)c1)c1ccc(F)cc1O ZINC001320424189 1107002001 /nfs/dbraw/zinc/00/20/01/1107002001.db2.gz GJHZLONCJQREIQ-GFCCVEGCSA-N 0 0 312.348 3.344 20 10 DGCDRN CCOc1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC001320521304 1107039799 /nfs/dbraw/zinc/03/97/99/1107039799.db2.gz IHJOBXDXGWHKFH-ZDUSSCGKSA-N 0 0 313.401 3.037 20 10 DGCDRN COc1cc(C)ccc1S(=O)(=O)Nc1ccc(O)c(C)c1C ZINC001259203974 1107097859 /nfs/dbraw/zinc/09/78/59/1107097859.db2.gz BRDFHZKOSPLWDN-UHFFFAOYSA-N 0 0 321.398 3.127 20 10 DGCDRN O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(O)c(F)c1 ZINC001259241161 1107103831 /nfs/dbraw/zinc/10/38/31/1107103831.db2.gz YUIFPRPDPNUGGT-UHFFFAOYSA-N 0 0 315.753 3.127 20 10 DGCDRN Cc1cc(O)cc(C)c1NS(=O)(=O)c1cc(F)cc(F)c1 ZINC001259311512 1107123580 /nfs/dbraw/zinc/12/35/80/1107123580.db2.gz GZKSKSULXJJAIW-UHFFFAOYSA-N 0 0 313.325 3.088 20 10 DGCDRN C[C@@H](CC1CCCCC1)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC001320880305 1107174337 /nfs/dbraw/zinc/17/43/37/1107174337.db2.gz YUHWMMPMWXIIPC-LBPRGKRZSA-N 0 0 320.385 3.430 20 10 DGCDRN CC(C)c1nnc2n1CCN(Cc1ccc(Cl)cc1O)[C@H]2C ZINC001474762708 1107435762 /nfs/dbraw/zinc/43/57/62/1107435762.db2.gz UQEPJVRVCIWAPA-NSHDSACASA-N 0 0 320.824 3.337 20 10 DGCDRN CS[C@H]1CCC[C@@H](NC(=O)N[C@H](C)c2ccccc2O)C1 ZINC001261962512 1107565394 /nfs/dbraw/zinc/56/53/94/1107565394.db2.gz XCWBKRXPHIUHJO-UPJWGTAASA-N 0 0 308.447 3.427 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC[C@H]2CO)cc1 ZINC001322613475 1107716527 /nfs/dbraw/zinc/71/65/27/1107716527.db2.gz GPZCXLXTQIKYAO-SFHVURJKSA-N 0 0 312.413 3.081 20 10 DGCDRN CCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cc(O)ccc1O ZINC001323443475 1107976215 /nfs/dbraw/zinc/97/62/15/1107976215.db2.gz NZUWZOKPDWFZDU-OAHLLOKOSA-N 0 0 318.760 3.338 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)[C@@H](C)[C@@H](C)CC)CC2)cc1 ZINC001323606064 1108026622 /nfs/dbraw/zinc/02/66/22/1108026622.db2.gz VZVCXHMTRSFBHK-HOTGVXAUSA-N 0 0 318.461 3.416 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)OCc2csnn2)cc1 ZINC001318594948 1108115115 /nfs/dbraw/zinc/11/51/15/1108115115.db2.gz JIDJLNNBEIKMBF-UHFFFAOYSA-N 0 0 313.382 3.303 20 10 DGCDRN COc1cccc(CNC(=O)NC[C@@H]2C[C@H]2C2CCCC2)c1O ZINC001263780178 1108199225 /nfs/dbraw/zinc/19/92/25/1108199225.db2.gz YDBMNWMQAWWUKK-GJZGRUSLSA-N 0 0 318.417 3.026 20 10 DGCDRN O=C1N[C@H](c2cc(O)ccc2O)Nc2c3ccccc3sc21 ZINC001318850794 1108217246 /nfs/dbraw/zinc/21/72/46/1108217246.db2.gz OYDGLZAAJOQHCI-OAHLLOKOSA-N 0 0 312.350 3.167 20 10 DGCDRN COc1cccc(O)c1CNc1ccc2c(cc(C)c(=O)n2C)c1 ZINC001324374720 1108269281 /nfs/dbraw/zinc/26/92/81/1108269281.db2.gz HPMMICRZJCJZMJ-UHFFFAOYSA-N 0 0 324.380 3.173 20 10 DGCDRN CCCCNc1ccccc1C(=O)NCc1cccc(O)c1O ZINC001263894634 1108286895 /nfs/dbraw/zinc/28/68/95/1108286895.db2.gz OVDPLOODAUVNQT-UHFFFAOYSA-N 0 0 314.385 3.240 20 10 DGCDRN CCCN(Cc1c(Cl)nc(OC)n1C)Cc1ccccc1O ZINC001319716472 1108607330 /nfs/dbraw/zinc/60/73/30/1108607330.db2.gz RBPLLSCLKMDQMZ-UHFFFAOYSA-N 0 0 323.824 3.200 20 10 DGCDRN CCN1CCN(C(=O)/C=C\c2ccc(C)nc2)c2ccccc21 ZINC001325303138 1108618282 /nfs/dbraw/zinc/61/82/82/1108618282.db2.gz OXJSBUFLDHRLPW-KHPPLWFESA-N 0 0 307.397 3.276 20 10 DGCDRN Oc1ccc(-c2nc(-c3ccc4ccccc4n3)no2)cc1O ZINC000391503256 1108733318 /nfs/dbraw/zinc/73/33/18/1108733318.db2.gz KRBPXSYCSNTFNY-UHFFFAOYSA-N 0 0 305.293 3.363 20 10 DGCDRN CC[C@@H]1CN(Cc2ccc(Br)cc2O)[C@H](C)CO1 ZINC000701194743 1108903340 /nfs/dbraw/zinc/90/33/40/1108903340.db2.gz WJGYQVMVLJUBST-ZWNOBZJWSA-N 0 0 314.223 3.154 20 10 DGCDRN Cc1ccn(C)c1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001290375291 1110243738 /nfs/dbraw/zinc/24/37/38/1110243738.db2.gz YTIVIINUVLANEJ-UHFFFAOYSA-N 0 0 311.429 3.206 20 10 DGCDRN CC[C@@H](C)Oc1cc(NCc2ccc(OC)cc2O)nc(C)n1 ZINC001307105137 1110279042 /nfs/dbraw/zinc/27/90/42/1110279042.db2.gz HXYWSMZBPXCORJ-LLVKDONJSA-N 0 0 317.389 3.289 20 10 DGCDRN Cc1ccc(-c2cc(C(=O)NCc3cc(C)ccc3O)[nH]n2)cc1 ZINC001301040515 1111079931 /nfs/dbraw/zinc/07/99/31/1111079931.db2.gz CDMFNWWPNWTMAW-UHFFFAOYSA-N 0 0 321.380 3.329 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CCSc2ccccc2)c1 ZINC001301041707 1111080133 /nfs/dbraw/zinc/08/01/33/1111080133.db2.gz PIOCPGVCLXHULY-UHFFFAOYSA-N 0 0 301.411 3.499 20 10 DGCDRN C[C@H](NC(=O)c1ccnc(-n2cccc2)c1)c1ccccc1O ZINC001302538116 1111117100 /nfs/dbraw/zinc/11/71/00/1111117100.db2.gz HLCBZIUDVYVTGC-ZDUSSCGKSA-N 0 0 307.353 3.069 20 10 DGCDRN C[C@H](NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccccc1O ZINC001302532432 1111117480 /nfs/dbraw/zinc/11/74/80/1111117480.db2.gz BYRWWGPHWQMYOC-LBPRGKRZSA-N 0 0 307.353 3.273 20 10 DGCDRN C[C@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccccc1O ZINC001302538488 1111118004 /nfs/dbraw/zinc/11/80/04/1111118004.db2.gz SIINHHXECCUURS-CRALRDPISA-N 0 0 311.337 3.012 20 10 DGCDRN Cc1ccnc2ccc(C(=O)N3Cc4cccc(O)c4C3)cc12 ZINC001302787566 1111125324 /nfs/dbraw/zinc/12/53/24/1111125324.db2.gz PCWANVRGGKZCRI-UHFFFAOYSA-N 0 0 304.349 3.405 20 10 DGCDRN Cc1[nH]c2c(cccc2C(=O)NCc2cccc(O)c2O)c1C ZINC001303193990 1111136607 /nfs/dbraw/zinc/13/66/07/1111136607.db2.gz WDJZHWFIZRKABO-UHFFFAOYSA-N 0 0 310.353 3.126 20 10 DGCDRN C[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@H]1c1ccccc1 ZINC001303504819 1111145428 /nfs/dbraw/zinc/14/54/28/1111145428.db2.gz HRVNDVHHHBNPDW-ORAYPTAESA-N 0 0 311.381 3.250 20 10 DGCDRN CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NCc1c(O)cccc1O ZINC001304053464 1111163905 /nfs/dbraw/zinc/16/39/05/1111163905.db2.gz LOBGSPHTZKWDKV-IGCXYCKISA-N 0 0 321.417 3.088 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCCc2ccccc2C1 ZINC001304316078 1111173065 /nfs/dbraw/zinc/17/30/65/1111173065.db2.gz FRWXDMOUQCMKFR-QXLXQBSBSA-N 0 0 323.392 3.175 20 10 DGCDRN CC(C)(C)c1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cn1 ZINC001304631547 1111178948 /nfs/dbraw/zinc/17/89/48/1111178948.db2.gz FAHVCETYGGDLPG-WEVVVXLNSA-N 0 0 312.369 3.442 20 10 DGCDRN CCOC(=O)[C@@H](CC)N(Cc1ccc(N(C)CC)cc1)C1CC1 ZINC001307695939 1111328221 /nfs/dbraw/zinc/32/82/21/1111328221.db2.gz SQFMYNNFFXJXTA-GOSISDBHSA-N 0 0 318.461 3.449 20 10 DGCDRN Cc1nc(CNCc2ccc3c(c2)CCO3)nc2ccccc12 ZINC001308241048 1111402824 /nfs/dbraw/zinc/40/28/24/1111402824.db2.gz VZKQPTIQGKWELI-UHFFFAOYSA-N 0 0 305.381 3.163 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H](C)c2cnn(C)c2)c1 ZINC001308282045 1111409855 /nfs/dbraw/zinc/40/98/55/1111409855.db2.gz CUIHNWNHZDCGRU-SNVBAGLBSA-N 0 0 324.222 3.047 20 10 DGCDRN CC[C@H](NC/C=C\c1ccc(N(C)C)cc1)c1noc(C)n1 ZINC001308304415 1111414196 /nfs/dbraw/zinc/41/41/96/1111414196.db2.gz ZCTAFRWEYIPFPK-WLMCBFPDSA-N 0 0 300.406 3.198 20 10 DGCDRN CC(=O)NCc1ccc(NCc2ccc(N(C)C)c(F)c2)cc1 ZINC001308310017 1111415003 /nfs/dbraw/zinc/41/50/03/1111415003.db2.gz YMUSPQXALOWKIO-UHFFFAOYSA-N 0 0 315.392 3.140 20 10 DGCDRN Cc1[nH]nc2ncc(NCc3cc(F)c(N(C)C)cc3F)cc12 ZINC001308555090 1111443184 /nfs/dbraw/zinc/44/31/84/1111443184.db2.gz MHMSBJQTURZFLR-UHFFFAOYSA-N 0 0 317.343 3.223 20 10 DGCDRN CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(F)c(F)c2[O-])C12CCC2 ZINC001308607086 1111449981 /nfs/dbraw/zinc/44/99/81/1111449981.db2.gz KNEDZUNNAWCGNT-ZIAGYGMSSA-N 0 0 311.372 3.450 20 10 DGCDRN CN(C)c1ccc(/C=C/CN2CCOCC23CCCC3)cc1 ZINC001308622217 1111452097 /nfs/dbraw/zinc/45/20/97/1111452097.db2.gz KELXKGCFRBLSPZ-AATRIKPKSA-N 0 0 300.446 3.411 20 10 DGCDRN CC(C)c1ccc(O)c(CN2CCN(C(=O)C(C)(C)C)CC2)c1 ZINC001308663205 1111457619 /nfs/dbraw/zinc/45/76/19/1111457619.db2.gz PYGDFBRYQWYNHI-UHFFFAOYSA-N 0 0 318.461 3.206 20 10 DGCDRN CCc1cccc(CN2CCOc3cccc(F)c3C2)c1O ZINC001308715029 1111465045 /nfs/dbraw/zinc/46/50/45/1111465045.db2.gz DKUTYBZMLMLPSL-UHFFFAOYSA-N 0 0 301.361 3.488 20 10 DGCDRN O=C1CCN(Cc2cc(F)cc(F)c2O)c2ccccc2N1 ZINC001308795767 1111476456 /nfs/dbraw/zinc/47/64/56/1111476456.db2.gz AAEVFYGDLMDXCZ-UHFFFAOYSA-N 0 0 304.296 3.019 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]C[C@@H]1CCN1Cc1ccccc1 ZINC001308875152 1111487435 /nfs/dbraw/zinc/48/74/35/1111487435.db2.gz NUQXMUPCUVPUHY-HNNXBMFYSA-N 0 0 318.367 3.035 20 10 DGCDRN CCCc1ccccc1S(=O)(=O)N(C)Cc1ccccc1O ZINC001309223676 1111516553 /nfs/dbraw/zinc/51/65/53/1111516553.db2.gz KAGLSCCZWRKWEJ-UHFFFAOYSA-N 0 0 319.426 3.165 20 10 DGCDRN COc1cc(NC(=O)N[C@H](C)c2ccccc2O)cc(OC)c1 ZINC001310064652 1111550063 /nfs/dbraw/zinc/55/00/63/1111550063.db2.gz PILODLVXORPIGA-LLVKDONJSA-N 0 0 316.357 3.292 20 10 DGCDRN Cc1c(NC(=O)N[C@@H](C)c2ccccc2O)cccc1[N+](=O)[O-] ZINC001310079453 1111550271 /nfs/dbraw/zinc/55/02/71/1111550271.db2.gz RDIMFLPRRXQHRV-NSHDSACASA-N 0 0 315.329 3.492 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccccc1C(F)F ZINC001310910808 1111574842 /nfs/dbraw/zinc/57/48/42/1111574842.db2.gz GZXHAXGKHSTLOQ-UHFFFAOYSA-N 0 0 322.311 3.400 20 10 DGCDRN CN1CCCc2cc(CNC(=O)NC3CCC=CCC3)ccc21 ZINC001311727957 1111615944 /nfs/dbraw/zinc/61/59/44/1111615944.db2.gz PUCHPMHAKHNCTB-UHFFFAOYSA-N 0 0 313.445 3.367 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1CC=CC[C@H]1C)c1ccc(N(C)C)cc1 ZINC001312534692 1111659268 /nfs/dbraw/zinc/65/92/68/1111659268.db2.gz GTKQJSSWFRIPKO-CKEIUWERSA-N 0 0 301.434 3.468 20 10 DGCDRN C[C@H](COCC1CCCCC1)NC(=O)NCc1ccccc1O ZINC001313323277 1111708458 /nfs/dbraw/zinc/70/84/58/1111708458.db2.gz GEXUIBFSBSXCAC-CQSZACIVSA-N 0 0 320.433 3.177 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCC(C)(C)C[C@H](C)O ZINC000074548865 184996597 /nfs/dbraw/zinc/99/65/97/184996597.db2.gz NNCDMBJFZUHHNJ-AWEZNQCLSA-N 0 0 322.449 3.111 20 10 DGCDRN C[C@H](CNC(=O)N(C)Cc1ccccc1O)Cc1cccs1 ZINC000074627365 185003944 /nfs/dbraw/zinc/00/39/44/185003944.db2.gz JMWONLRXKOSVPR-ZDUSSCGKSA-N 0 0 318.442 3.474 20 10 DGCDRN Cn1cnc2cc(C(=O)Nc3cccc(N4CCCC4)c3)ccc21 ZINC000096733538 185386059 /nfs/dbraw/zinc/38/60/59/185386059.db2.gz NZAFGQSQSWLADM-UHFFFAOYSA-N 0 0 320.396 3.426 20 10 DGCDRN CCc1ccc(C(C)(C)CNC(=O)Cc2ccc(N)cc2)cc1 ZINC000160867195 529614179 /nfs/dbraw/zinc/61/41/79/529614179.db2.gz NFKVTMOSSUHSRA-UHFFFAOYSA-N 0 0 310.441 3.468 20 10 DGCDRN CCCOc1ccc(CN(CCOC)CC(F)(F)F)c(O)c1 ZINC000092645858 185330929 /nfs/dbraw/zinc/33/09/29/185330929.db2.gz YJHDUVRKNFTUOP-UHFFFAOYSA-N 0 0 321.339 3.192 20 10 DGCDRN CCOc1ccc(O)c(CN2CCCC[C@@H]2c2ncc[nH]2)c1 ZINC000092729778 185336396 /nfs/dbraw/zinc/33/63/96/185336396.db2.gz BBAWXIBOVWXXMH-OAHLLOKOSA-N 0 0 301.390 3.241 20 10 DGCDRN CCOc1ccc(O)c(CN2CCCC[C@H]2c2ncc[nH]2)c1 ZINC000092729780 185336572 /nfs/dbraw/zinc/33/65/72/185336572.db2.gz BBAWXIBOVWXXMH-HNNXBMFYSA-N 0 0 301.390 3.241 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C12CCC(CC1)C2 ZINC000356017520 529785891 /nfs/dbraw/zinc/78/58/91/529785891.db2.gz WXPYYNUUJNOUCU-UHFFFAOYSA-N 0 0 300.402 3.058 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)c3ccncc3)cc2)CC1 ZINC000108295695 185506377 /nfs/dbraw/zinc/50/63/77/185506377.db2.gz RYTWMAHBAHGJGF-UHFFFAOYSA-N 0 0 309.413 3.248 20 10 DGCDRN CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC)cc1O ZINC000000099468 180692356 /nfs/dbraw/zinc/69/23/56/180692356.db2.gz OPECAIAUVAIHJJ-KRWDZBQOSA-N 0 0 312.369 3.377 20 10 DGCDRN C[N@@H+]1CC[C@@H]2CCN(Cc3cc(Cl)cc(Cl)c3[O-])[C@H]2C1 ZINC000272589090 283076535 /nfs/dbraw/zinc/07/65/35/283076535.db2.gz HQLLOZACRFTKTM-YGRLFVJLSA-N 0 0 315.244 3.225 20 10 DGCDRN Cn1c(-c2ccccc2)cnc1SCC(=O)NC1CCCC1 ZINC000005263727 181223726 /nfs/dbraw/zinc/22/37/26/181223726.db2.gz UHBDEXUFPCJTHX-UHFFFAOYSA-N 0 0 315.442 3.238 20 10 DGCDRN CCOc1ccc(OCC)c(NC(=O)Cc2ccc(N)cc2)c1 ZINC000236856398 202038524 /nfs/dbraw/zinc/03/85/24/202038524.db2.gz LYIPPKUCHOLPLV-UHFFFAOYSA-N 0 0 314.385 3.247 20 10 DGCDRN COc1cccc(CNC(=O)[C@H]2C[C@@H]2c2sccc2C)c1O ZINC000133594171 432068457 /nfs/dbraw/zinc/06/84/57/432068457.db2.gz YNWPWYSUDZLJBI-STQMWFEESA-N 0 0 317.410 3.191 20 10 DGCDRN Cc1ccc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)cc1 ZINC000133917043 432071669 /nfs/dbraw/zinc/07/16/69/432071669.db2.gz DVXLPIPLCJLEIO-UHFFFAOYSA-N 0 0 321.424 3.371 20 10 DGCDRN CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000179931209 432074387 /nfs/dbraw/zinc/07/43/87/432074387.db2.gz YYRLBKCNCQUNCQ-CYBMUJFWSA-N 0 0 324.852 3.030 20 10 DGCDRN CCC[C@H](CNC(=O)NCc1c(C)c2ccccc2n1C)OC ZINC000454877476 242053423 /nfs/dbraw/zinc/05/34/23/242053423.db2.gz QUWXCFLWNYRGDQ-CQSZACIVSA-N 0 0 317.433 3.101 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1ccc(F)c(F)c1[O-] ZINC000282552668 299383719 /nfs/dbraw/zinc/38/37/19/299383719.db2.gz XIZHIDGLKOVDGZ-TVQRCGJNSA-N 0 0 307.344 3.132 20 10 DGCDRN Cc1cc(CN(C)Cc2cc(Br)ccc2O)no1 ZINC000092254054 193181624 /nfs/dbraw/zinc/18/16/24/193181624.db2.gz URPLHRMQGKPMDQ-UHFFFAOYSA-N 0 0 311.179 3.083 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Cc2ccccc2O)cc1 ZINC000171260438 432118281 /nfs/dbraw/zinc/11/82/81/432118281.db2.gz AVROVWPEROIKJK-UHFFFAOYSA-N 0 0 312.413 3.097 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1CCCN1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185142646 296133052 /nfs/dbraw/zinc/13/30/52/296133052.db2.gz IEGQAVQZGAAXPF-NXEZZACHSA-N 0 0 303.233 3.444 20 10 DGCDRN CC(=O)c1cc(F)cc(CN(C)[C@H](C)c2cccnc2)c1O ZINC000093226829 193219204 /nfs/dbraw/zinc/21/92/04/193219204.db2.gz NTNJAHXWOSIJNF-LLVKDONJSA-N 0 0 302.349 3.322 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])c1nncn1C ZINC000273568653 296150338 /nfs/dbraw/zinc/15/03/38/296150338.db2.gz KDSLJHUWDRDUCR-JGVFFNPUSA-N 0 0 315.204 3.239 20 10 DGCDRN C[C@@H]([NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-])c1nncn1C ZINC000278664973 296158561 /nfs/dbraw/zinc/15/85/61/296158561.db2.gz IXRGPURGAWVBAL-HTQZYQBOSA-N 0 0 315.204 3.239 20 10 DGCDRN Cc1cccnc1N(C)C(=O)/C=C/c1cnn(-c2ccccc2)c1 ZINC000492741070 245784373 /nfs/dbraw/zinc/78/43/73/245784373.db2.gz VEGVMYVPTKHLFO-ZHACJKMWSA-N 0 0 318.380 3.252 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNc1cn[nH]c(=O)c1Cl ZINC000359828926 291609604 /nfs/dbraw/zinc/60/96/04/291609604.db2.gz HDPUKNMUURBZSE-UHFFFAOYSA-N 0 0 302.765 3.248 20 10 DGCDRN COc1cccc(CNC(=O)Nc2ccc3c(c2)CCC3)c1O ZINC000104978633 194061338 /nfs/dbraw/zinc/06/13/38/194061338.db2.gz ZXONHIYFAKSWJF-UHFFFAOYSA-N 0 0 312.369 3.211 20 10 DGCDRN COc1cccc(CNC(=O)C[C@@H](C)c2ccc(F)cc2)c1O ZINC000105650153 194117697 /nfs/dbraw/zinc/11/76/97/194117697.db2.gz VYMPMLBRZOLHBM-GFCCVEGCSA-N 0 0 317.360 3.350 20 10 DGCDRN Cc1ccc(C)c(C(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000173191512 533651452 /nfs/dbraw/zinc/65/14/52/533651452.db2.gz ZVKRTCNLEJWEAB-UHFFFAOYSA-N 0 0 310.397 3.409 20 10 DGCDRN CC[C@H]1C[C@H](C(=O)N(CC)Cc2ccc(N(C)C)cc2)CCO1 ZINC000272578580 130043251 /nfs/dbraw/zinc/04/32/51/130043251.db2.gz KTNPHWOBRRIQMM-AEFFLSMTSA-N 0 0 318.461 3.306 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(N)cc2)cc1F ZINC000272658325 130049991 /nfs/dbraw/zinc/04/99/91/130049991.db2.gz HANHSIJQMWJHAA-UHFFFAOYSA-N 0 0 315.392 3.184 20 10 DGCDRN Cc1ccnc(OC2CC[NH+](Cc3cccc(F)c3[O-])CC2)c1 ZINC000272954978 130077776 /nfs/dbraw/zinc/07/77/76/130077776.db2.gz ORBCQZRLHHNBCK-UHFFFAOYSA-N 0 0 316.376 3.278 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2sccc2C)c1 ZINC000273370900 130112865 /nfs/dbraw/zinc/11/28/65/130112865.db2.gz GBPAISNUSVBLRO-NSHDSACASA-N 0 0 305.399 3.400 20 10 DGCDRN COc1cccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273428430 130120818 /nfs/dbraw/zinc/12/08/18/130120818.db2.gz VBGWUDKOCFUYMC-LLVKDONJSA-N 0 0 302.330 3.160 20 10 DGCDRN C[N@H+](Cc1ccc(OCc2ccccc2)cc1O)[C@@H]1CCOC1 ZINC000273497480 130129525 /nfs/dbraw/zinc/12/95/25/130129525.db2.gz NLMRQQYYZOCXSZ-QGZVFWFLSA-N 0 0 313.397 3.192 20 10 DGCDRN Cc1ccc(O)c([C@@H](C)Nc2ccc(CS(C)(=O)=O)cc2)c1 ZINC000273513174 130130227 /nfs/dbraw/zinc/13/02/27/130130227.db2.gz SEAUXRPXSYDSMA-CYBMUJFWSA-N 0 0 319.426 3.418 20 10 DGCDRN CCC1(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])CCOCC1 ZINC000273588384 130140039 /nfs/dbraw/zinc/14/00/39/130140039.db2.gz OLPXCJXTVVFSSV-ZDUSSCGKSA-N 0 0 321.417 3.036 20 10 DGCDRN Cc1ccn(C)c1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000275824072 130392865 /nfs/dbraw/zinc/39/28/65/130392865.db2.gz QPYZBIDHUHYIHR-UHFFFAOYSA-N 0 0 311.429 3.204 20 10 DGCDRN CCc1ccccc1NCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278559868 130702316 /nfs/dbraw/zinc/70/23/16/130702316.db2.gz BATNKTVNWGTHJV-UHFFFAOYSA-N 0 0 302.330 3.484 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CCC(=O)[C@H]1C ZINC000279639210 130755291 /nfs/dbraw/zinc/75/52/91/130755291.db2.gz JAZKCDQHRGWHDK-HOCLYGCPSA-N 0 0 316.445 3.106 20 10 DGCDRN CO[C@H]1CCC[C@@H](CC(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000279669102 130756399 /nfs/dbraw/zinc/75/63/99/130756399.db2.gz HLOPVKRXWMBZEU-HIFRSBDPSA-N 0 0 322.424 3.103 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)C[C@H]1CCC(=O)[C@H]1C ZINC000279908346 130770058 /nfs/dbraw/zinc/77/00/58/130770058.db2.gz MWVZLCAHTVGKEH-UONOGXRCSA-N 0 0 303.402 3.136 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)C[C@H]1CCC(=O)[C@@H]1C ZINC000279908348 130770179 /nfs/dbraw/zinc/77/01/79/130770179.db2.gz MWVZLCAHTVGKEH-ZIAGYGMSSA-N 0 0 303.402 3.136 20 10 DGCDRN Cc1ccc2c(c1)CC[C@H](C(=O)N(C)Cc1ccccc1O)O2 ZINC000280003695 130776319 /nfs/dbraw/zinc/77/63/19/130776319.db2.gz SGOCOWBAJXWROD-GOSISDBHSA-N 0 0 311.381 3.053 20 10 DGCDRN Cc1nc2c(cccc2C(=O)N(C)Cc2ccc(N(C)C)cc2)o1 ZINC000280557693 130806285 /nfs/dbraw/zinc/80/62/85/130806285.db2.gz BGOOETHMJPNHMV-UHFFFAOYSA-N 0 0 323.396 3.474 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCO[C@H](C)C1 ZINC000282429593 130921232 /nfs/dbraw/zinc/92/12/32/130921232.db2.gz HISVPVZASAKHTR-CABCVRRESA-N 0 0 305.418 3.336 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)CCOC ZINC000283542399 131001685 /nfs/dbraw/zinc/00/16/85/131001685.db2.gz DDCHDYICMJJDBP-AWEZNQCLSA-N 0 0 308.422 3.129 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H](O)c1cccc(OC)c1)c1ccc(F)cc1[O-] ZINC000285987328 131214094 /nfs/dbraw/zinc/21/40/94/131214094.db2.gz HYVXNGKZTYYXCL-AEFFLSMTSA-N 0 0 319.376 3.314 20 10 DGCDRN Nc1ccc(CC(=O)N2CCCCC[C@H]2c2ccncc2)cc1 ZINC000286071783 131218072 /nfs/dbraw/zinc/21/80/72/131218072.db2.gz MIBJFHPOMUASRY-SFHVURJKSA-N 0 0 309.413 3.350 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccc(F)cc1[O-] ZINC000286157935 131221977 /nfs/dbraw/zinc/22/19/77/131221977.db2.gz PSUYSWDNOOZUPU-WBVHZDCISA-N 0 0 307.340 3.445 20 10 DGCDRN CC[C@H]([NH2+]Cc1ccc(OC)c(O)c1)c1ccc(F)cc1[O-] ZINC000286341807 131231376 /nfs/dbraw/zinc/23/13/76/131231376.db2.gz YHLGYIXMZXOMFR-AWEZNQCLSA-N 0 0 305.349 3.486 20 10 DGCDRN CC[C@H]([NH2+][C@H](C)CO[C@H]1CCOC1)c1cccc(Cl)c1[O-] ZINC000287577877 131288453 /nfs/dbraw/zinc/28/84/53/131288453.db2.gz HDPDGSGDIAVFOY-XUJVJEKNSA-N 0 0 313.825 3.280 20 10 DGCDRN Cc1cccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1O ZINC000289105688 131358973 /nfs/dbraw/zinc/35/89/73/131358973.db2.gz CLLUKANNWOWGTG-UHFFFAOYSA-N 0 0 300.358 3.283 20 10 DGCDRN CCCn1c2ccc(Cl)cc2nc1SCC(=O)C(C)=O ZINC000289518216 131392237 /nfs/dbraw/zinc/39/22/37/131392237.db2.gz CYOLHGAZDJDTHC-UHFFFAOYSA-N 0 0 310.806 3.350 20 10 DGCDRN CCN(CC)c1ccc(CNc2cccc3c2CNC3=O)cc1 ZINC000290057817 131449387 /nfs/dbraw/zinc/44/93/87/131449387.db2.gz GYEFIZDQBHQJPB-UHFFFAOYSA-N 0 0 309.413 3.388 20 10 DGCDRN C[C@@H](C(=O)NCc1ccccc1O)[C@@H]1OCCc2sccc21 ZINC000293675145 131757865 /nfs/dbraw/zinc/75/78/65/131757865.db2.gz KJUXENIBWBQVPY-BZNIZROVSA-N 0 0 317.410 3.020 20 10 DGCDRN CCC[C@@H](OC)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000297737854 132031250 /nfs/dbraw/zinc/03/12/50/132031250.db2.gz OBYZZBSXCOCWFI-CQSZACIVSA-N 0 0 324.384 3.150 20 10 DGCDRN O=C(NC1CC1)c1cccc(C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000297734134 132031395 /nfs/dbraw/zinc/03/13/95/132031395.db2.gz NRMJZFSGZHUQSM-KRWDZBQOSA-N 0 0 322.408 3.062 20 10 DGCDRN CC(C)[C@@H](C)N(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000298679867 132073195 /nfs/dbraw/zinc/07/31/95/132073195.db2.gz KNSXZLMOQZSQJC-OAHLLOKOSA-N 0 0 303.450 3.473 20 10 DGCDRN C[C@H]1C[C@H]1CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298895672 132082442 /nfs/dbraw/zinc/08/24/42/132082442.db2.gz WMSWETUFWYXVHJ-ZFWWWQNUSA-N 0 0 301.434 3.083 20 10 DGCDRN CO[C@@H]1Cc2ccccc2N(C(=O)/C=C\c2cccnc2C)C1 ZINC000493796654 285867229 /nfs/dbraw/zinc/86/72/29/285867229.db2.gz WRRJFHWNMODEQR-DOOKAGJSSA-N 0 0 308.381 3.008 20 10 DGCDRN CN(C)c1ccc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000007366186 400103878 /nfs/dbraw/zinc/10/38/78/400103878.db2.gz RWLQOTCWZABLFZ-UHFFFAOYSA-N 0 0 316.317 3.181 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CC[C@H]2CCCO2)cc1F ZINC000066841571 400124306 /nfs/dbraw/zinc/12/43/06/400124306.db2.gz RSGXQZPSKVQPQG-OAHLLOKOSA-N 0 0 322.424 3.247 20 10 DGCDRN CCOc1cc(NCc2cccc(OC)c2O)ccc1[N+](=O)[O-] ZINC000092649013 400187881 /nfs/dbraw/zinc/18/78/81/400187881.db2.gz SLTCPAKTMDJUQU-UHFFFAOYSA-N 0 0 318.329 3.320 20 10 DGCDRN COC(=O)Cc1cccc(NCc2c(C)c3ccccc3n2C)n1 ZINC000588327605 400210560 /nfs/dbraw/zinc/21/05/60/400210560.db2.gz NWXBFALBVMWUHM-UHFFFAOYSA-N 0 0 323.396 3.209 20 10 DGCDRN Cc1ccccc1CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000028328886 400288740 /nfs/dbraw/zinc/28/87/40/400288740.db2.gz AAQJVIXBSVHSJM-UHFFFAOYSA-N 0 0 308.425 3.454 20 10 DGCDRN C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccn1 ZINC000045560307 400529137 /nfs/dbraw/zinc/52/91/37/400529137.db2.gz JFVSZUDNIGMSFL-AWEZNQCLSA-N 0 0 312.417 3.050 20 10 DGCDRN Cc1cc2ncn(C[C@H](O)CSc3nccs3)c2cc1C ZINC000052914744 400754580 /nfs/dbraw/zinc/75/45/80/400754580.db2.gz YNODFUUOPSCYME-LBPRGKRZSA-N 0 0 319.455 3.263 20 10 DGCDRN COc1ccc(O)c([C@@H](C)Nc2ncc(C)cc2[N+](=O)[O-])c1 ZINC000078659412 400817537 /nfs/dbraw/zinc/81/75/37/400817537.db2.gz DRGWCVRMQMQSIF-SNVBAGLBSA-N 0 0 303.318 3.186 20 10 DGCDRN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCOC ZINC000078353865 400791677 /nfs/dbraw/zinc/79/16/77/400791677.db2.gz QGYSDCQKGWAQCL-UHFFFAOYSA-N 0 0 306.387 3.037 20 10 DGCDRN Cc1ccccc1CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000055047396 400850301 /nfs/dbraw/zinc/85/03/01/400850301.db2.gz DHHMFGSTEBGFJP-UHFFFAOYSA-N 0 0 311.429 3.403 20 10 DGCDRN CCCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000081203179 401038555 /nfs/dbraw/zinc/03/85/55/401038555.db2.gz BKUWDGSKKWPVFP-GFCCVEGCSA-N 0 0 312.360 3.173 20 10 DGCDRN CC(C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000081203364 401038798 /nfs/dbraw/zinc/03/87/98/401038798.db2.gz CHNQLYSUKGAFNY-GFCCVEGCSA-N 0 0 312.360 3.029 20 10 DGCDRN Cc1nc(-c2ccncc2)nc(N(C)Cc2ccccc2O)c1C ZINC000089635439 401232819 /nfs/dbraw/zinc/23/28/19/401232819.db2.gz CHSPRDLOWDXCKE-UHFFFAOYSA-N 0 0 320.396 3.497 20 10 DGCDRN CCc1cc(N(C)Cc2ccccc2O)nc(-c2ccncc2)n1 ZINC000089635497 401232947 /nfs/dbraw/zinc/23/29/47/401232947.db2.gz BZUYKEHOOCBBSS-UHFFFAOYSA-N 0 0 320.396 3.443 20 10 DGCDRN CO[C@H]1Cc2ccccc2N(C(=O)/C=C\c2cnc(C)s2)C1 ZINC000492853048 286115927 /nfs/dbraw/zinc/11/59/27/286115927.db2.gz MXSSERYZFXRROQ-DANTVBBOSA-N 0 0 314.410 3.069 20 10 DGCDRN C[C@@H]([NH2+][C@H]1COc2ccccc2C1)c1ccc(F)c(F)c1[O-] ZINC000187676361 287071892 /nfs/dbraw/zinc/07/18/92/287071892.db2.gz NOYCHGZSLQLJHW-ZYHUDNBSSA-N 0 0 305.324 3.325 20 10 DGCDRN CO[C@@H]([C@H](C)[NH2+]Cc1cccc(Br)c1[O-])C1CC1 ZINC000388204393 685188301 /nfs/dbraw/zinc/18/83/01/685188301.db2.gz CPNVWVHNSULXRF-XPTSAGLGSA-N 0 0 314.223 3.058 20 10 DGCDRN CCOCCC1(C(=O)N(C)Cc2ccccc2O)CCCC1 ZINC000269091137 432152441 /nfs/dbraw/zinc/15/24/41/432152441.db2.gz HFLWSYUVTJOWCS-UHFFFAOYSA-N 0 0 305.418 3.338 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCCO1 ZINC000269326711 432161665 /nfs/dbraw/zinc/16/16/65/432161665.db2.gz BIKJYHSQZCUSPK-QGZVFWFLSA-N 0 0 304.434 3.059 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c1[O-] ZINC000246911015 432180083 /nfs/dbraw/zinc/18/00/83/432180083.db2.gz VWXZSFORUWKEPP-LRDDRELGSA-N 0 0 323.820 3.249 20 10 DGCDRN O=C(NCc1ccccc1O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000133753396 227038465 /nfs/dbraw/zinc/03/84/65/227038465.db2.gz OSACLNMHICHLIS-ZYHUDNBSSA-N 0 0 301.308 3.377 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)NC[C@H]3C[C@@H]3C)ccc21 ZINC000343259506 229122896 /nfs/dbraw/zinc/12/28/96/229122896.db2.gz MQCDKKHLHXWOEF-BLLLJJGKSA-N 0 0 314.429 3.290 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1ccc(C)nc1 ZINC000349342267 229211776 /nfs/dbraw/zinc/21/17/76/229211776.db2.gz NNYQRWFYQLRJHA-UHFFFAOYSA-N 0 0 322.412 3.190 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cnn2ccccc12 ZINC000348637028 229205391 /nfs/dbraw/zinc/20/53/91/229205391.db2.gz TVPRBUWDCPFTEB-UHFFFAOYSA-N 0 0 318.380 3.064 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)Cc1cccnc1 ZINC000350085371 229219264 /nfs/dbraw/zinc/21/92/64/229219264.db2.gz SQZHIYHJICKKPN-UHFFFAOYSA-N 0 0 322.412 3.223 20 10 DGCDRN COc1cc(N(C)Cc2ccn(C(C)C)n2)cc(OC)c1OC ZINC000172896096 432243621 /nfs/dbraw/zinc/24/36/21/432243621.db2.gz NWWSMVABONZHMM-UHFFFAOYSA-N 0 0 319.405 3.126 20 10 DGCDRN COc1cccc(CN2CCO[C@@H](c3ccc(F)cc3)C2)c1O ZINC000179428853 274145941 /nfs/dbraw/zinc/14/59/41/274145941.db2.gz IAVNIUDWGNZZDT-QGZVFWFLSA-N 0 0 317.360 3.113 20 10 DGCDRN COc1ccc(N2CCN(c3ccncc3Cl)CC2)cc1 ZINC000267419285 277417734 /nfs/dbraw/zinc/41/77/34/277417734.db2.gz UCHDOPDCEXNCJS-UHFFFAOYSA-N 0 0 303.793 3.070 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000290187962 278268261 /nfs/dbraw/zinc/26/82/61/278268261.db2.gz FUKXVARPJDMOPT-PRXAMGSTSA-N 0 0 316.357 3.073 20 10 DGCDRN CC[C@H]([NH2+]CCN1CCSCC1)c1cccc(Cl)c1[O-] ZINC000287783635 288041603 /nfs/dbraw/zinc/04/16/03/288041603.db2.gz SICVLXWCVCHMRV-AWEZNQCLSA-N 0 0 314.882 3.135 20 10 DGCDRN C[C@@H]1CN(C(=O)/C=C/c2cncs2)c2cccc(F)c2O1 ZINC000493167487 278628436 /nfs/dbraw/zinc/62/84/36/278628436.db2.gz PPNIZYANYSMICC-BRAIEQGRSA-N 0 0 304.346 3.110 20 10 DGCDRN CC[C@H]([NH2+][C@H](C)CN1CCCC1=O)c1cccc(Cl)c1[O-] ZINC000287847336 288077341 /nfs/dbraw/zinc/07/73/41/288077341.db2.gz WOVZGFHVUPUFOE-RISCZKNCSA-N 0 0 310.825 3.097 20 10 DGCDRN CC[C@H]([NH2+][C@H](CCO)COC)c1cc(Cl)cc(Cl)c1[O-] ZINC000287281822 288084691 /nfs/dbraw/zinc/08/46/91/288084691.db2.gz BMOZJFBDIMEDOU-MFKMUULPSA-N 0 0 322.232 3.137 20 10 DGCDRN CC[C@H]([NH2+][C@H](CO)CCOC)c1cc(Cl)cc(Cl)c1[O-] ZINC000286967831 288085241 /nfs/dbraw/zinc/08/52/41/288085241.db2.gz IHYAUCCPKQEJGZ-GWCFXTLKSA-N 0 0 322.232 3.137 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)CC(F)(F)F)cc2)CC1 ZINC000108296285 431133417 /nfs/dbraw/zinc/13/34/17/431133417.db2.gz AWWDXJZNYULHRG-UHFFFAOYSA-N 0 0 314.351 3.492 20 10 DGCDRN CN(Cc1nc(-c2ccc(F)cc2)no1)Cc1ccccc1O ZINC000111235743 431200730 /nfs/dbraw/zinc/20/07/30/431200730.db2.gz OXQRNJPSUHQNAC-UHFFFAOYSA-N 0 0 313.332 3.213 20 10 DGCDRN CCCCNC(=O)CSc1ncc(-c2ccccc2)n1C ZINC000007129185 431335910 /nfs/dbraw/zinc/33/59/10/431335910.db2.gz WGZSCEMWXYAZHW-UHFFFAOYSA-N 0 0 303.431 3.096 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000113418803 431347769 /nfs/dbraw/zinc/34/77/69/431347769.db2.gz RDPNOCRWRLVFNI-GJZGRUSLSA-N 0 0 317.335 3.433 20 10 DGCDRN COc1cccc(CNC(=O)N[C@@H](C)c2ccc(C)cc2)c1O ZINC000073781650 431380356 /nfs/dbraw/zinc/38/03/56/431380356.db2.gz PHKQWNFLDPKHFQ-ZDUSSCGKSA-N 0 0 314.385 3.270 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000116443158 431512032 /nfs/dbraw/zinc/51/20/32/431512032.db2.gz GCRYKMFFQJDCCN-QWHCGFSZSA-N 0 0 317.335 3.433 20 10 DGCDRN CC[C@@H](C)[C@@H](C)C(=O)NCc1cccc(Br)c1O ZINC000277582073 280115029 /nfs/dbraw/zinc/11/50/29/280115029.db2.gz RMEMWLKHSCZWJB-NXEZZACHSA-N 0 0 314.223 3.453 20 10 DGCDRN CCN(CC)c1ccc(CN(C)Cc2cnn(C)c2)cc1F ZINC000119688322 431713384 /nfs/dbraw/zinc/71/33/84/431713384.db2.gz CFDPNGZPZNSCDG-UHFFFAOYSA-N 0 0 304.413 3.037 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2cccn2C)c1O ZINC000079395876 431721406 /nfs/dbraw/zinc/72/14/06/431721406.db2.gz VDJXZEDHVMBCLH-QGZVFWFLSA-N 0 0 316.376 3.410 20 10 DGCDRN CC(C)[C@H](C)N(C(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000086153303 431842607 /nfs/dbraw/zinc/84/26/07/431842607.db2.gz VXLCSQHRGXSKQQ-AWEZNQCLSA-N 0 0 303.450 3.471 20 10 DGCDRN CCNC(=O)c1ccc(C)c(NCc2ccc(N(C)C)cc2)c1 ZINC000122509678 431836406 /nfs/dbraw/zinc/83/64/06/431836406.db2.gz IAFGPPQQWVOYOC-UHFFFAOYSA-N 0 0 311.429 3.423 20 10 DGCDRN CC[C@@H](CSC)N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000091045585 431900187 /nfs/dbraw/zinc/90/01/87/431900187.db2.gz WUINUDLANRROTC-AWEZNQCLSA-N 0 0 309.479 3.036 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H]1CCCN(C(C)=O)C1)c1cccc(Cl)c1[O-] ZINC000287102636 280941085 /nfs/dbraw/zinc/94/10/85/280941085.db2.gz QDNWWZOOCFJJKL-BBRMVZONSA-N 0 0 324.852 3.345 20 10 DGCDRN Cc1cc(Sc2nccs2)n2nc(C(F)(F)F)nc2n1 ZINC000048894059 431933961 /nfs/dbraw/zinc/93/39/61/431933961.db2.gz BGZJAXXKQARNQH-UHFFFAOYSA-N 0 0 317.321 3.059 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)CCc1cn(C)c2ccccc12 ZINC000125915700 431938195 /nfs/dbraw/zinc/93/81/95/431938195.db2.gz SICQMIOXEUKDRC-UHFFFAOYSA-N 0 0 322.408 3.475 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CCC2(CC1)OCCO2 ZINC000126104257 431942811 /nfs/dbraw/zinc/94/28/11/431942811.db2.gz HKVJRONMHKDAQA-UHFFFAOYSA-N 0 0 318.200 3.038 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccccc1F ZINC000052851383 431957998 /nfs/dbraw/zinc/95/79/98/431957998.db2.gz FQHHFSHRFIGBJL-UHFFFAOYSA-N 0 0 314.404 3.483 20 10 DGCDRN COc1ccc(N(CC(=O)Nc2nccs2)C(C)C)cc1F ZINC000101567469 431986109 /nfs/dbraw/zinc/98/61/09/431986109.db2.gz IEVGMXPJPWFYGZ-UHFFFAOYSA-N 0 0 323.393 3.144 20 10 DGCDRN CC(C)c1nc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cs1 ZINC000183420912 432292120 /nfs/dbraw/zinc/29/21/20/432292120.db2.gz UWGKAKUPSZVTQG-SNVBAGLBSA-N 0 0 320.414 3.039 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)c1cccc(F)c1 ZINC000183452732 432295099 /nfs/dbraw/zinc/29/50/99/432295099.db2.gz DOKRJZCVCKJPQA-NEPJUHHUSA-N 0 0 317.360 3.088 20 10 DGCDRN CCc1sc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1C ZINC000183473367 432295896 /nfs/dbraw/zinc/29/58/96/432295896.db2.gz LVRDWMYCMUJXLR-LLVKDONJSA-N 0 0 319.426 3.391 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000270869710 432297347 /nfs/dbraw/zinc/29/73/47/432297347.db2.gz JMIDBVGSHZFNFD-ZBFHGGJFSA-N 0 0 320.433 3.127 20 10 DGCDRN Cc1ccc(F)c(C(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000173193651 432263180 /nfs/dbraw/zinc/26/31/80/432263180.db2.gz DNWTXVQLTSYGMY-UHFFFAOYSA-N 0 0 314.360 3.239 20 10 DGCDRN COc1c(C)cnc(C[N@H+](C)Cc2cc(C)ccc2O)c1C ZINC000183783416 432325630 /nfs/dbraw/zinc/32/56/30/432325630.db2.gz CDFPGCDKRIKEMW-UHFFFAOYSA-N 0 0 300.402 3.353 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1scnc1C1CCCC1 ZINC000183978014 432342808 /nfs/dbraw/zinc/34/28/08/432342808.db2.gz ILQXBJIPVFRTRV-UHFFFAOYSA-N 0 0 318.398 3.142 20 10 DGCDRN C[N@H+](Cc1cccs1)Cc1ccc(N2CCOCC2)cc1 ZINC000153303314 432399104 /nfs/dbraw/zinc/39/91/04/432399104.db2.gz HZWZZIRMEZLXPK-UHFFFAOYSA-N 0 0 302.443 3.217 20 10 DGCDRN CCNC(=O)c1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000185027856 432456942 /nfs/dbraw/zinc/45/69/42/432456942.db2.gz ORYZHWCYFMBVEM-LBPRGKRZSA-N 0 0 316.376 3.132 20 10 DGCDRN CC[C@H]1CCCC[C@@H]1OCC(=O)NCc1cccc(OC)c1O ZINC000184714755 432425490 /nfs/dbraw/zinc/42/54/90/432425490.db2.gz URWJUNXSLMVQPC-ZFWWWQNUSA-N 0 0 321.417 3.002 20 10 DGCDRN CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NCCc1ccc(N)cc1 ZINC000262573448 432490788 /nfs/dbraw/zinc/49/07/88/432490788.db2.gz GRPYEHLLYMGRRW-QGTPRVQTSA-N 0 0 318.461 3.301 20 10 DGCDRN C[C@H]([NH2+]CCCCNc1ccccn1)c1ccc(F)cc1[O-] ZINC000185325422 432490797 /nfs/dbraw/zinc/49/07/97/432490797.db2.gz MRJZNWAGKMBTNI-ZDUSSCGKSA-N 0 0 303.381 3.469 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)c2nc[nH]n2)c(C)n1-c1cccc(C)c1 ZINC000176210652 432500933 /nfs/dbraw/zinc/50/09/33/432500933.db2.gz XPQKEZRDYVFNCV-CYBMUJFWSA-N 0 0 323.400 3.012 20 10 DGCDRN CCc1cnc(CN(C)Cc2cc(F)cc(C(C)=O)c2O)s1 ZINC000175788810 432464585 /nfs/dbraw/zinc/46/45/85/432464585.db2.gz QNXXYBFZBIZYNI-UHFFFAOYSA-N 0 0 322.405 3.385 20 10 DGCDRN C[C@H]([NH2+]CCC(=O)NC1CCCCC1)c1ccc(F)cc1[O-] ZINC000185091015 432464752 /nfs/dbraw/zinc/46/47/52/432464752.db2.gz PQGRMHPFQBCGTC-LBPRGKRZSA-N 0 0 308.397 3.021 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c(C)n1-c1ccccc1 ZINC000155317189 432549167 /nfs/dbraw/zinc/54/91/67/432549167.db2.gz UPPJXDPWSOVNTE-NXHRZFHOSA-N 0 0 310.397 3.144 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC2(CCC2)C1 ZINC000176808682 432555396 /nfs/dbraw/zinc/55/53/96/432555396.db2.gz VQCSXCDMHHJOBM-UHFFFAOYSA-N 0 0 313.445 3.372 20 10 DGCDRN Cc1ccc(C[C@H]2CCCN2C(=O)c2cccc(O)c2O)cc1 ZINC000185651206 432519567 /nfs/dbraw/zinc/51/95/67/432519567.db2.gz KOOYJTJDQBAIED-OAHLLOKOSA-N 0 0 311.381 3.254 20 10 DGCDRN CC[S@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])C1 ZINC000185657441 432519997 /nfs/dbraw/zinc/51/99/97/432519997.db2.gz JRDJJEMLORZWLR-CQLHDSJLSA-N 0 0 313.438 3.262 20 10 DGCDRN CC(C)c1nc(CCNC(=O)NCc2ccccc2O)cs1 ZINC000263864102 432586315 /nfs/dbraw/zinc/58/63/15/432586315.db2.gz VXBWDDXHJMZIES-UHFFFAOYSA-N 0 0 319.430 3.014 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273350585 432589517 /nfs/dbraw/zinc/58/95/17/432589517.db2.gz BOHQBWAOQDEKAF-STQMWFEESA-N 0 0 320.389 3.443 20 10 DGCDRN Oc1ccc(Cl)cc1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186488953 432601287 /nfs/dbraw/zinc/60/12/87/432601287.db2.gz XFYSVHJCWUBNEQ-UHFFFAOYSA-N 0 0 313.850 3.144 20 10 DGCDRN CN1CCCc2cc(CNc3ncc([N+](=O)[O-])s3)ccc21 ZINC000195511756 432624356 /nfs/dbraw/zinc/62/43/56/432624356.db2.gz CDUHTUOKSVHTMI-UHFFFAOYSA-N 0 0 304.375 3.046 20 10 DGCDRN Cc1cc(Br)cc([C@@H](C)[NH2+]C2CCOCC2)c1O ZINC000187031157 432643700 /nfs/dbraw/zinc/64/37/00/432643700.db2.gz QJUDMCUNIIQXIR-SNVBAGLBSA-N 0 0 314.223 3.293 20 10 DGCDRN CCc1nc(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cs1 ZINC000273620531 432618144 /nfs/dbraw/zinc/61/81/44/432618144.db2.gz YUNWEUUMELXAKC-SNVBAGLBSA-N 0 0 321.402 3.213 20 10 DGCDRN Cc1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2)c(O)c1O ZINC000177667052 432648557 /nfs/dbraw/zinc/64/85/57/432648557.db2.gz ZDBSOZGLJQAJKZ-HNNXBMFYSA-N 0 0 311.381 3.254 20 10 DGCDRN COc1ccccc1C[C@@H](C)CC(=O)NCc1ccccc1O ZINC000264484494 432650696 /nfs/dbraw/zinc/65/06/96/432650696.db2.gz YJPPLYIILHTUGP-CQSZACIVSA-N 0 0 313.397 3.286 20 10 DGCDRN CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2O)C1 ZINC000227444797 432711246 /nfs/dbraw/zinc/71/12/46/432711246.db2.gz ZLSNWUXERQZLIN-AWEZNQCLSA-N 0 0 320.433 3.129 20 10 DGCDRN C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000227690956 432712993 /nfs/dbraw/zinc/71/29/93/432712993.db2.gz BTOWXXYJBVEDLM-JTQLQIEISA-N 0 0 314.813 3.048 20 10 DGCDRN CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187754907 432683536 /nfs/dbraw/zinc/68/35/36/432683536.db2.gz DDANUTCSZLZXBW-JOYOIKCWSA-N 0 0 322.359 3.010 20 10 DGCDRN CSC1(C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])CCOCC1 ZINC000187789836 432684527 /nfs/dbraw/zinc/68/45/27/432684527.db2.gz JZWWCBKHACGQMD-JTQLQIEISA-N 0 0 317.401 3.233 20 10 DGCDRN CC(C)S(=O)(=O)CCSc1ncc(-c2ccccc2)n1C ZINC000178555205 432752927 /nfs/dbraw/zinc/75/29/27/432752927.db2.gz DENJBUYHRRINTR-UHFFFAOYSA-N 0 0 324.471 3.002 20 10 DGCDRN Oc1cccc(Cl)c1CNc1ccc(OC2COC2)cc1 ZINC000275899800 432757804 /nfs/dbraw/zinc/75/78/04/432757804.db2.gz ZHQSNSKQFXIBSV-UHFFFAOYSA-N 0 0 305.761 3.435 20 10 DGCDRN COCCOc1cc(C)ccc1NCc1cc(OC)ccc1O ZINC000237100759 432777234 /nfs/dbraw/zinc/77/72/34/432777234.db2.gz VBQYEBNEPHLTNC-UHFFFAOYSA-N 0 0 317.385 3.347 20 10 DGCDRN COC(=O)NCc1ccc(NCCc2ccc(OC)cc2)cc1 ZINC000178403351 432731774 /nfs/dbraw/zinc/73/17/74/432731774.db2.gz VTWNIWDENGXILY-UHFFFAOYSA-N 0 0 314.385 3.206 20 10 DGCDRN C[C@@H](N[C@@H](C)c1ccc(N2CCCCC2)cc1)c1ncnn1C ZINC000276539331 432817575 /nfs/dbraw/zinc/81/75/75/432817575.db2.gz DIOSSHGKDBYAFR-LSDHHAIUSA-N 0 0 313.449 3.217 20 10 DGCDRN CCOc1cc2c(cc1NCc1cccc(C)c1O)OCCO2 ZINC000189770316 432817946 /nfs/dbraw/zinc/81/79/46/432817946.db2.gz BKHGFMRAQKNDQR-UHFFFAOYSA-N 0 0 315.369 3.483 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)/C=C/c2ccn(C)c2)C2CC2)cc1 ZINC000277050617 432829136 /nfs/dbraw/zinc/82/91/36/432829136.db2.gz LKCWGFLMALNGGB-IZZDOVSWSA-N 0 0 323.440 3.296 20 10 DGCDRN CC[C@H](C)c1nnc([C@@H](C)N[C@@H](C)c2cc(OC)ccc2O)[nH]1 ZINC000277223584 432831246 /nfs/dbraw/zinc/83/12/46/432831246.db2.gz LMUYZDXPLXFUND-SDDRHHMPSA-N 0 0 318.421 3.444 20 10 DGCDRN CC[C@@H](C)[C@@H](NC(=O)NCc1ccccc1O)C(F)(F)F ZINC000278446438 432895418 /nfs/dbraw/zinc/89/54/18/432895418.db2.gz FWDZNLVICMYWPZ-BXKDBHETSA-N 0 0 304.312 3.168 20 10 DGCDRN COc1ccc2c(c1)[C@H](C(=O)N(C)Cc1ccccc1O)CC2 ZINC000277607273 432864324 /nfs/dbraw/zinc/86/43/24/432864324.db2.gz IDAVEANUVIESSA-MRXNPFEDSA-N 0 0 311.381 3.089 20 10 DGCDRN CCCN(Cc1nncn1-c1ccccc1)Cc1ccccc1O ZINC000277626536 432864898 /nfs/dbraw/zinc/86/48/98/432864898.db2.gz GQNPOUXVEAAJHB-UHFFFAOYSA-N 0 0 322.412 3.385 20 10 DGCDRN CC[C@H](C)[C@@H]1NC(=O)N(c2cc(Cl)c(N)c(Cl)c2)C1=O ZINC000278157887 432888402 /nfs/dbraw/zinc/88/84/02/432888402.db2.gz OZRZMTVOHMZJJW-KGFZYKRKSA-N 0 0 316.188 3.047 20 10 DGCDRN COc1c([O-])c(C[N@H+]([C@H](C)C2CC2)C2CC2)ccc1[N+](=O)[O-] ZINC000278284126 432890828 /nfs/dbraw/zinc/89/08/28/432890828.db2.gz UAQZPNJTXPADLX-SNVBAGLBSA-N 0 0 306.362 3.072 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]CCC[C@H](C)C(=O)[O-])cc1F ZINC000277457194 432851994 /nfs/dbraw/zinc/85/19/94/432851994.db2.gz VJQFMWZLHQUYTD-ZDUSSCGKSA-N 0 0 310.413 3.262 20 10 DGCDRN CC[C@H](C)c1nnc([C@H](C)NCc2ccc(OC)c(C)c2)[nH]1 ZINC000277489532 432854402 /nfs/dbraw/zinc/85/44/02/432854402.db2.gz UCYXNTCDEPXISY-AAEUAGOBSA-N 0 0 302.422 3.486 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2nc(Cl)cs2)cc1 ZINC000279056081 432930456 /nfs/dbraw/zinc/93/04/56/432930456.db2.gz YMEYGFAPTAECAM-UHFFFAOYSA-N 0 0 309.822 3.135 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@@H]2CCCc3occc32)ccc1[N+](=O)[O-] ZINC000278616862 432897950 /nfs/dbraw/zinc/89/79/50/432897950.db2.gz FMAAJQKUCCNTNY-GFCCVEGCSA-N 0 0 318.329 3.069 20 10 DGCDRN COC[C@@H](C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])OC ZINC000278643737 432898503 /nfs/dbraw/zinc/89/85/03/432898503.db2.gz HQCOQQPMYJLEDF-DTWKUNHWSA-N 0 0 308.205 3.011 20 10 DGCDRN COC(=O)c1coc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000278758212 432900104 /nfs/dbraw/zinc/90/01/04/432900104.db2.gz OJDIXKXWUNJXMO-LLVKDONJSA-N 0 0 320.364 3.122 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@H](C)c2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000278905801 432914901 /nfs/dbraw/zinc/91/49/01/432914901.db2.gz RQYIMZBDOJNYLZ-GFCCVEGCSA-N 0 0 316.357 3.468 20 10 DGCDRN CCOc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)c1 ZINC000278922808 432917620 /nfs/dbraw/zinc/91/76/20/432917620.db2.gz VAVHHOJCDIFJIG-UHFFFAOYSA-N 0 0 318.329 3.320 20 10 DGCDRN CCc1ccc([C@H](O)C[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000289625892 432969410 /nfs/dbraw/zinc/96/94/10/432969410.db2.gz WOOFPOHHJBHZBJ-MRXNPFEDSA-N 0 0 305.805 3.431 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cccnc2F)cc1F ZINC000279455758 432971749 /nfs/dbraw/zinc/97/17/49/432971749.db2.gz OJUVYHRFIBBUFX-UHFFFAOYSA-N 0 0 319.355 3.136 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1O ZINC000289721580 432973456 /nfs/dbraw/zinc/97/34/56/432973456.db2.gz JRAFFRCNDZSJDC-WBVHZDCISA-N 0 0 321.392 3.123 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1ccc(F)cc1[O-] ZINC000297267813 432984710 /nfs/dbraw/zinc/98/47/10/432984710.db2.gz KLXZQGYEZWSZHA-DOTOQJQBSA-N 0 0 321.367 3.315 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cccc2c1OCC2(C)C ZINC000279574878 432985124 /nfs/dbraw/zinc/98/51/24/432985124.db2.gz WDZBXWNZJHTUPW-UHFFFAOYSA-N 0 0 311.381 3.334 20 10 DGCDRN OCCN(Cc1cc(-c2ccccc2)ccc1O)CC(F)F ZINC000279637058 432989445 /nfs/dbraw/zinc/98/94/45/432989445.db2.gz CPBPBFNWFVDTOG-UHFFFAOYSA-N 0 0 307.340 3.119 20 10 DGCDRN COc1ccccc1N(CCO)Cc1cccc(Cl)c1O ZINC000290264088 433023775 /nfs/dbraw/zinc/02/37/75/433023775.db2.gz XANWVZRJSWOKSU-UHFFFAOYSA-N 0 0 307.777 3.053 20 10 DGCDRN C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000290587014 433104638 /nfs/dbraw/zinc/10/46/38/433104638.db2.gz VAXYGNJOAAFNHZ-IINYFYTJSA-N 0 0 317.260 3.471 20 10 DGCDRN CC[C@@](C)(OC)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000280769241 433166553 /nfs/dbraw/zinc/16/65/53/433166553.db2.gz ROTCXBGWSWJRBI-LJQANCHMSA-N 0 0 318.461 3.354 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290906599 433202818 /nfs/dbraw/zinc/20/28/18/433202818.db2.gz MQSLDRQAUJSCRK-GFCCVEGCSA-N 0 0 312.200 3.343 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@H]1CCCc2ccc(F)cc21 ZINC000280965204 433245156 /nfs/dbraw/zinc/24/51/56/433245156.db2.gz SOWQLFMNSYMSAQ-INIZCTEOSA-N 0 0 314.360 3.408 20 10 DGCDRN CCCC[N@H+](Cc1c[nH]c2nccnc12)Cc1ccccc1O ZINC000291467640 433245172 /nfs/dbraw/zinc/24/51/72/433245172.db2.gz DOBJDWZULYCGBV-UHFFFAOYSA-N 0 0 310.401 3.466 20 10 DGCDRN Cc1cccc(CNc2cc(N3CCOCC3)ccc2C)c1O ZINC000281217938 433271544 /nfs/dbraw/zinc/27/15/44/433271544.db2.gz UVCLTAUXYUOSON-UHFFFAOYSA-N 0 0 312.413 3.458 20 10 DGCDRN CCOc1cccc(C[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)c1O ZINC000375121016 433368114 /nfs/dbraw/zinc/36/81/14/433368114.db2.gz NBRBFIZCCMVNRR-ROUUACIJSA-N 0 0 305.418 3.086 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)/C=C/c2cncs2)cc1 ZINC000281647313 433338981 /nfs/dbraw/zinc/33/89/81/433338981.db2.gz NAPIPSZDTRPSHV-MDZDMXLPSA-N 0 0 315.442 3.319 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(C2CC2)no1 ZINC000281969226 433447719 /nfs/dbraw/zinc/44/77/19/433447719.db2.gz NSDCPDAPUUININ-UHFFFAOYSA-N 0 0 300.358 3.310 20 10 DGCDRN C[C@H]1CC=CC[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000341345780 290365718 /nfs/dbraw/zinc/36/57/18/290365718.db2.gz AYNOAXULRLYTSY-ZFWWWQNUSA-N 0 0 300.402 3.080 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)c2cc(F)c[nH]2)C2CC2)cc1 ZINC000292640333 433584918 /nfs/dbraw/zinc/58/49/18/433584918.db2.gz AWUDFFXAZILVMS-UHFFFAOYSA-N 0 0 301.365 3.025 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1snnc1CC ZINC000282429510 433606148 /nfs/dbraw/zinc/60/61/48/433606148.db2.gz HHBDRRSYQYSUBE-UHFFFAOYSA-N 0 0 319.430 3.249 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Cn1nc(C)cc1C ZINC000282504597 433613252 /nfs/dbraw/zinc/61/32/52/433613252.db2.gz NVUICPRRMXPKNT-UHFFFAOYSA-N 0 0 315.417 3.034 20 10 DGCDRN C[C@@H]1CCN(C(=O)/C=C/c2cncs2)c2c(O)cccc21 ZINC000282480230 433613774 /nfs/dbraw/zinc/61/37/74/433613774.db2.gz WUGONQKMYOEDRX-MVIFTORASA-N 0 0 300.383 3.402 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(C)n1C ZINC000282560341 433617494 /nfs/dbraw/zinc/61/74/94/433617494.db2.gz UFKQPHLCVCUVDT-UHFFFAOYSA-N 0 0 300.402 3.482 20 10 DGCDRN C[C@H](NCc1ncnn1C(C)(C)C)c1cc(Cl)ccc1O ZINC000282658905 433621423 /nfs/dbraw/zinc/62/14/23/433621423.db2.gz IILIVWABXZNPCI-JTQLQIEISA-N 0 0 308.813 3.243 20 10 DGCDRN CCCC[N@H+](Cc1cnn(CCOC)c1)Cc1ccccc1O ZINC000283066135 433657897 /nfs/dbraw/zinc/65/78/97/433657897.db2.gz PXLXWZZYRIJDPB-UHFFFAOYSA-N 0 0 317.433 3.037 20 10 DGCDRN CN(C)c1ccc(C2(C(=O)N(C)Cc3ccccc3O)CC2)cc1 ZINC000293306117 433693312 /nfs/dbraw/zinc/69/33/12/433693312.db2.gz IGMWUOQEXQZZQK-UHFFFAOYSA-N 0 0 324.424 3.148 20 10 DGCDRN Cc1cc(C)n(CCC[NH2+]Cc2cc(Cl)c(F)cc2[O-])n1 ZINC000293506709 433763431 /nfs/dbraw/zinc/76/34/31/433763431.db2.gz AGZKQWGEIQYHFS-UHFFFAOYSA-N 0 0 311.788 3.178 20 10 DGCDRN CN(Cc1ccccc1O)c1cnc2cc(F)c(F)cc2n1 ZINC000301868772 433764651 /nfs/dbraw/zinc/76/46/51/433764651.db2.gz JAKNYVHPFFBJGA-UHFFFAOYSA-N 0 0 301.296 3.250 20 10 DGCDRN c1csc(Sc2nn3cc(-c4cccnc4)nc3s2)n1 ZINC000302114406 433810415 /nfs/dbraw/zinc/81/04/15/433810415.db2.gz VPTDQQDNECMFFZ-UHFFFAOYSA-N 0 0 317.424 3.461 20 10 DGCDRN Cc1nc2c(c(NCc3ccc(N(C)C)c(F)c3)n1)CCCC2 ZINC000302054898 433811223 /nfs/dbraw/zinc/81/12/23/433811223.db2.gz QBJAUVLQUGBWPX-UHFFFAOYSA-N 0 0 314.408 3.481 20 10 DGCDRN Cc1cnc(NCc2ccc(N3CCC(CO)CC3)cc2)s1 ZINC000302121329 433812455 /nfs/dbraw/zinc/81/24/55/433812455.db2.gz UJUNNEOHQOHRRQ-UHFFFAOYSA-N 0 0 317.458 3.272 20 10 DGCDRN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])C1CCC(CO)CC1 ZINC000293897179 433914523 /nfs/dbraw/zinc/91/45/23/433914523.db2.gz KUCPOHQUHVGHDZ-UHFFFAOYSA-N 0 0 301.789 3.168 20 10 DGCDRN CCCc1nc(C)c(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000293903846 433916475 /nfs/dbraw/zinc/91/64/75/433916475.db2.gz ZTOCKMFCYBBPPJ-SNVBAGLBSA-N 0 0 319.361 3.400 20 10 DGCDRN CCC[C@@]1(CO)CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293938237 433933411 /nfs/dbraw/zinc/93/34/11/433933411.db2.gz OAJTWNRIKNIRQR-OAHLLOKOSA-N 0 0 301.789 3.169 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@H](O)c1ccccc1 ZINC000293966677 433943892 /nfs/dbraw/zinc/94/38/92/433943892.db2.gz QHRIYNIWLGROMM-HWPZZCPQSA-N 0 0 309.768 3.396 20 10 DGCDRN Cc1cc(C(=O)Nc2nncn2C2CC2)c(C)n1-c1ccccc1 ZINC000285701844 434046125 /nfs/dbraw/zinc/04/61/25/434046125.db2.gz HNQCVCDFRQXVST-UHFFFAOYSA-N 0 0 321.384 3.273 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1nc(C)oc1C ZINC000294553918 434118703 /nfs/dbraw/zinc/11/87/03/434118703.db2.gz FMNNTXYJHVTTBT-UHFFFAOYSA-N 0 0 302.374 3.440 20 10 DGCDRN Cn1ccc(/C=C\C(=O)N2C[C@H]3CCCN3c3ccccc32)c1 ZINC000493471042 294001277 /nfs/dbraw/zinc/00/12/77/294001277.db2.gz XSHDKXVFIJRVNT-HLRDLLSLSA-N 0 0 307.397 3.054 20 10 DGCDRN CC(C)(C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1)C(N)=O ZINC000294677451 434128596 /nfs/dbraw/zinc/12/85/96/434128596.db2.gz BFVWQHOETCHLOE-LBPRGKRZSA-N 0 0 324.852 3.159 20 10 DGCDRN CCOc1cccc(CN2CC(C)(C)[C@@H]2c2nccn2C)c1O ZINC000294785785 434145414 /nfs/dbraw/zinc/14/54/14/434145414.db2.gz LPEROBJNFWACKN-INIZCTEOSA-N 0 0 315.417 3.108 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1csc(Cl)n1 ZINC000294867862 434148547 /nfs/dbraw/zinc/14/85/47/434148547.db2.gz CWVADEJQLCUWKW-UHFFFAOYSA-N 0 0 309.822 3.262 20 10 DGCDRN Cc1cc(C)c([C@H](C)NCc2ncn(-c3ccccc3)n2)c(O)c1 ZINC000295026586 434160086 /nfs/dbraw/zinc/16/00/86/434160086.db2.gz OCVOXCOOTIRNDF-HNNXBMFYSA-N 0 0 322.412 3.441 20 10 DGCDRN Cc1c(NCc2cc(C)ccc2O)cnn1C1CCOCC1 ZINC000295043377 434163159 /nfs/dbraw/zinc/16/31/59/434163159.db2.gz DZXYVCBYJZGBNA-UHFFFAOYSA-N 0 0 301.390 3.169 20 10 DGCDRN COC(=O)c1cnc(Sc2cc(C)nc(C3CC3)n2)s1 ZINC000295041272 434164738 /nfs/dbraw/zinc/16/47/38/434164738.db2.gz WSQIXBGPKBHHGC-UHFFFAOYSA-N 0 0 307.400 3.057 20 10 DGCDRN CCc1nc([C@H]2CCCCN2Cc2cc(OC)ccc2O)no1 ZINC000378440499 434184145 /nfs/dbraw/zinc/18/41/45/434184145.db2.gz BKYVAJFDCFFCHJ-CQSZACIVSA-N 0 0 317.389 3.073 20 10 DGCDRN COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(F)cnc2Cl)c1 ZINC000295182535 434248173 /nfs/dbraw/zinc/24/81/73/434248173.db2.gz VYLGQVIAHVUWOL-SECBINFHSA-N 0 0 310.756 3.439 20 10 DGCDRN Cc1ccc(C(=O)N2CC3(CCC3)c3ccccc32)c(O)c1O ZINC000364473164 434274320 /nfs/dbraw/zinc/27/43/20/434274320.db2.gz QMOHCJWPYXFKHP-UHFFFAOYSA-N 0 0 309.365 3.488 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCC(c2cccc(F)c2)CC1 ZINC000365877311 434313708 /nfs/dbraw/zinc/31/37/08/434313708.db2.gz MULPCSDMAIPCMY-UHFFFAOYSA-N 0 0 315.344 3.257 20 10 DGCDRN CS[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000295561764 434413258 /nfs/dbraw/zinc/41/32/58/434413258.db2.gz NUNFXFPSCXCZAK-CQSZACIVSA-N 0 0 315.442 3.067 20 10 DGCDRN CC[C@@H]([NH2+][C@H]1CCc2nc(C)ncc2C1)c1ccc(F)cc1[O-] ZINC000367599892 434553157 /nfs/dbraw/zinc/55/31/57/434553157.db2.gz ILCJFBRUNRWKKN-GOEBONIOSA-N 0 0 315.392 3.228 20 10 DGCDRN OC[C@H]1Cc2ccccc2N(Cc2cccc(Cl)c2O)C1 ZINC000367788526 434557589 /nfs/dbraw/zinc/55/75/89/434557589.db2.gz BIDBPVNXHFEYAW-LBPRGKRZSA-N 0 0 303.789 3.217 20 10 DGCDRN COc1ccc(O)c([C@H](C)N[C@H]2COc3cc(F)cc(F)c32)c1 ZINC000368211264 434567893 /nfs/dbraw/zinc/56/78/93/434567893.db2.gz CUSGEGWBHBEPNB-XPTSAGLGSA-N 0 0 321.323 3.463 20 10 DGCDRN COc1ccc(N(CCC2OCCCO2)[C@@H](C)C2CC2)cc1 ZINC000267903132 295154924 /nfs/dbraw/zinc/15/49/24/295154924.db2.gz CHHIGCXKJUMBQJ-AWEZNQCLSA-N 0 0 305.418 3.453 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CCC2(CCO2)CC1 ZINC000368520681 434578590 /nfs/dbraw/zinc/57/85/90/434578590.db2.gz XNSJHQFUVWUHJJ-UHFFFAOYSA-N 0 0 302.201 3.454 20 10 DGCDRN COc1ccc2c(c1)C(=O)N(C)[C@H](c1cc(C)c(C)cc1O)N2 ZINC000078761224 295256290 /nfs/dbraw/zinc/25/62/90/295256290.db2.gz PMZHUTKYDCNXKB-QGZVFWFLSA-N 0 0 312.369 3.214 20 10 DGCDRN C[C@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1ccc(F)cc1[O-] ZINC000370372912 434611186 /nfs/dbraw/zinc/61/11/86/434611186.db2.gz GDHOZIJDSWMHQU-SJCJKPOMSA-N 0 0 300.377 3.369 20 10 DGCDRN C[C@H]1CCC[C@@]1(C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000410533576 434652335 /nfs/dbraw/zinc/65/23/35/434652335.db2.gz JTOZOGCYDJPVFD-SCLBCKFNSA-N 0 0 302.418 3.304 20 10 DGCDRN c1nc([C@H]2CCCN2Cc2ccc(N3CCCCC3)cc2)no1 ZINC000371376417 434683917 /nfs/dbraw/zinc/68/39/17/434683917.db2.gz YKDLFUHBEWMARD-QGZVFWFLSA-N 0 0 312.417 3.397 20 10 DGCDRN CCOc1ccc(O)c(CN2CCC[C@@H]2c2cc(C)on2)c1 ZINC000371395025 434690405 /nfs/dbraw/zinc/69/04/05/434690405.db2.gz CGBCRKZUKGERCG-MRXNPFEDSA-N 0 0 302.374 3.424 20 10 DGCDRN Nc1ccc(CC(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)cc1 ZINC000372116073 434801213 /nfs/dbraw/zinc/80/12/13/434801213.db2.gz LLZAVCSBZNFGBC-GOSISDBHSA-N 0 0 312.388 3.184 20 10 DGCDRN Cn1nccc1[C@@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000372812800 434856145 /nfs/dbraw/zinc/85/61/45/434856145.db2.gz CCTFYDNWOBIGLJ-LLVKDONJSA-N 0 0 323.799 3.298 20 10 DGCDRN Cc1cccnc1N(C)C(=O)/C=C\c1ccccc1-n1cccn1 ZINC000491958280 434889703 /nfs/dbraw/zinc/88/97/03/434889703.db2.gz DIXBAGLNIFQHJI-KHPPLWFESA-N 0 0 318.380 3.252 20 10 DGCDRN CSc1ccc(N(C)C(=O)/C=C\c2cnn(C)c2C)cc1 ZINC000492246523 434941714 /nfs/dbraw/zinc/94/17/14/434941714.db2.gz BTRCKKDDQDFANV-YHYXMXQVSA-N 0 0 301.415 3.127 20 10 DGCDRN Cc1ncsc1/C=C\C(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000492675010 435033630 /nfs/dbraw/zinc/03/36/30/435033630.db2.gz HFODLCLBRUCRMZ-SREVYHEPSA-N 0 0 303.343 3.036 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCC(F)(F)C[C@@H]2C)c1O ZINC000528769776 435028979 /nfs/dbraw/zinc/02/89/79/435028979.db2.gz SRDXWEYTLKDFAW-VIFPVBQESA-N 0 0 301.308 3.354 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)/C=C/C1CCOCC1 ZINC000492705340 435037130 /nfs/dbraw/zinc/03/71/30/435037130.db2.gz LPDHHGSDOMOTRW-BQYQJAHWSA-N 0 0 312.413 3.086 20 10 DGCDRN CCn1nccc1/C=C\C(=O)NCc1c(C)c2ccccc2n1C ZINC000492705935 435037373 /nfs/dbraw/zinc/03/73/73/435037373.db2.gz MUWJXSNTLDCMRG-KTKRTIGZSA-N 0 0 322.412 3.033 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)/C=C\c1cccnc1 ZINC000492763765 435046649 /nfs/dbraw/zinc/04/66/49/435046649.db2.gz JFIXKEFUPHTHKY-KTKRTIGZSA-N 0 0 305.381 3.211 20 10 DGCDRN COc1cccc(N(CC(C)C)C(=O)/C=C/c2cnccn2)c1 ZINC000491120017 435707749 /nfs/dbraw/zinc/70/77/49/435707749.db2.gz QAPLSQSVMIDJAD-BQYQJAHWSA-N 0 0 311.385 3.188 20 10 DGCDRN CC1(C)CN(C(=O)c2cccc3c2CC[NH2+]C3)c2ccccc21 ZINC000662638433 436373401 /nfs/dbraw/zinc/37/34/01/436373401.db2.gz ZOXBRVLCYOZGGX-UHFFFAOYSA-N 0 0 306.409 3.270 20 10 DGCDRN O=C(/C=C\c1cncc(F)c1)N(Cc1ccco1)c1ccccn1 ZINC000255758461 331799645 /nfs/dbraw/zinc/79/96/45/331799645.db2.gz YVRGRXUMFUHLSZ-SREVYHEPSA-N 0 0 323.327 3.455 20 10 DGCDRN COc1ccc(N2CCN(c3ncccc3Cl)CC2)cc1F ZINC000152275765 332272168 /nfs/dbraw/zinc/27/21/68/332272168.db2.gz NAAWAFCJEBNFLF-UHFFFAOYSA-N 0 0 321.783 3.209 20 10 DGCDRN C[C@](O)(C[NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccccc1 ZINC000293763617 335113015 /nfs/dbraw/zinc/11/30/15/335113015.db2.gz ZFUYKOBTCAASBU-INIZCTEOSA-N 0 0 309.768 3.182 20 10 DGCDRN COc1cc(NS(=O)(=O)c2ccc(C3CC3)cc2)ccc1O ZINC000295211899 335131071 /nfs/dbraw/zinc/13/10/71/335131071.db2.gz PIYQFNIMZPBCIM-UHFFFAOYSA-N 0 0 319.382 3.079 20 10 DGCDRN COc1cc(OC)cc(N(C)C(=O)/C=C/c2cnc(C)s2)c1 ZINC000188229028 333361282 /nfs/dbraw/zinc/36/12/82/333361282.db2.gz CTFGKDWKLJMSIA-AATRIKPKSA-N 0 0 318.398 3.145 20 10 DGCDRN CN(C(=O)c1c[nH]nc1-c1cccnc1)c1ccc2cc[nH]c2c1 ZINC000526940760 336275647 /nfs/dbraw/zinc/27/56/47/336275647.db2.gz GWRSWJVIBUODHY-UHFFFAOYSA-N 0 0 317.352 3.230 20 10 DGCDRN c1csc(SCCCNc2cc(N3CCCC3)ncn2)n1 ZINC000302874136 336372764 /nfs/dbraw/zinc/37/27/64/336372764.db2.gz DBLPHSHUJBYUEY-UHFFFAOYSA-N 0 0 321.475 3.128 20 10 DGCDRN CN1CCCc2cc(CNC(=O)[C@@H]3C[C@H]3c3ccco3)ccc21 ZINC000372580288 336934658 /nfs/dbraw/zinc/93/46/58/336934658.db2.gz AEKKHTXGHITKQA-HZPDHXFCSA-N 0 0 310.397 3.082 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CC1CCSCC1 ZINC000121752107 337898690 /nfs/dbraw/zinc/89/86/90/337898690.db2.gz YHYQXNGXTNQVCH-UHFFFAOYSA-N 0 0 320.458 3.011 20 10 DGCDRN Cc1ncc(/C=C/C(=O)N2CCOc3ccc(F)cc32)s1 ZINC000088266414 340459776 /nfs/dbraw/zinc/45/97/76/340459776.db2.gz HCXLQARVRNAGPC-HWKANZROSA-N 0 0 304.346 3.029 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@@H](C)Cc2ccccc2C)c1 ZINC000528863741 340737467 /nfs/dbraw/zinc/73/74/67/340737467.db2.gz PRVXIXFREFQEEW-AWEZNQCLSA-N 0 0 313.397 3.204 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)C[C@H]1CCOC1 ZINC000177348948 533721374 /nfs/dbraw/zinc/72/13/74/533721374.db2.gz GUPJOQKICFKLTE-CQSZACIVSA-N 0 0 318.442 3.264 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cc(Cl)c[nH]1 ZINC000352111915 533970657 /nfs/dbraw/zinc/97/06/57/533970657.db2.gz OIAQCIYOFKJOSC-UHFFFAOYSA-N 0 0 301.777 3.398 20 10 DGCDRN COc1ccc(NC(=O)NCc2c(C)c3ccccc3n2C)cn1 ZINC000348539789 534127191 /nfs/dbraw/zinc/12/71/91/534127191.db2.gz BENHQBHHUNLAKM-UHFFFAOYSA-N 0 0 324.384 3.212 20 10 DGCDRN COc1ccc(O)c([C@H](C)Nc2ccc([N+](=O)[O-])c(C)n2)c1 ZINC000301625631 534205438 /nfs/dbraw/zinc/20/54/38/534205438.db2.gz HCGZBYAUBNVPJE-VIFPVBQESA-N 0 0 303.318 3.186 20 10 DGCDRN CC(C)(C)OC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000158134213 518798286 /nfs/dbraw/zinc/79/82/86/518798286.db2.gz DRQNGJSMRVMELP-CQSZACIVSA-N 0 0 307.390 3.308 20 10 DGCDRN CC(C)(Cc1ccccc1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000158040691 519287733 /nfs/dbraw/zinc/28/77/33/519287733.db2.gz XCMYLVFVTFANCL-UHFFFAOYSA-N 0 0 313.397 3.025 20 10 DGCDRN CC(=O)C[C@H](C)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000128688164 519436224 /nfs/dbraw/zinc/43/62/24/519436224.db2.gz HVLNDOSDAHVCCJ-NSHDSACASA-N 0 0 316.376 3.331 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCSC1 ZINC000266836798 519655006 /nfs/dbraw/zinc/65/50/06/519655006.db2.gz VRPGEIDOSAVTSE-OAHLLOKOSA-N 0 0 321.490 3.178 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC1CCOCC1 ZINC000265266179 519655236 /nfs/dbraw/zinc/65/52/36/519655236.db2.gz BOBNTDKTVNKMHB-UHFFFAOYSA-N 0 0 318.461 3.306 20 10 DGCDRN CC(C)c1ccc(CCC(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000182547261 519835454 /nfs/dbraw/zinc/83/54/54/519835454.db2.gz HUGCOMYJBIRRNA-UHFFFAOYSA-N 0 0 313.397 3.470 20 10 DGCDRN CCO[C@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)C12CCCCC2 ZINC000236971014 520544371 /nfs/dbraw/zinc/54/43/71/520544371.db2.gz VRQVVAZDYYZDHC-SJORKVTESA-N 0 0 316.445 3.055 20 10 DGCDRN CCOC(=O)[C@H](NCc1ccccc1O)c1cccc(C)c1C ZINC000189664179 521270735 /nfs/dbraw/zinc/27/07/35/521270735.db2.gz ZCLSOMVMZOTUJC-GOSISDBHSA-N 0 0 313.397 3.403 20 10 DGCDRN CCN(Cc1cc(C(=O)OC)co1)c1ccc(OC)c(OC)c1 ZINC000263811488 521286091 /nfs/dbraw/zinc/28/60/91/521286091.db2.gz MYWWRUXYPHXIFZ-UHFFFAOYSA-N 0 0 319.357 3.110 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1oc(C)nc1C ZINC000172712354 521319958 /nfs/dbraw/zinc/31/99/58/521319958.db2.gz LTIMRSOLYNJHOJ-UHFFFAOYSA-N 0 0 301.390 3.020 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc2nc[nH]c21 ZINC000159199534 521320597 /nfs/dbraw/zinc/32/05/97/521320597.db2.gz XZHIPIRJIZKFQK-UHFFFAOYSA-N 0 0 322.412 3.291 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000161737035 521688417 /nfs/dbraw/zinc/68/84/17/521688417.db2.gz DCUJJOSRZVZZDZ-HNNXBMFYSA-N 0 0 320.433 3.271 20 10 DGCDRN CCc1cccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000190919988 521763433 /nfs/dbraw/zinc/76/34/33/521763433.db2.gz FNJYLCJWUGTVKF-LBPRGKRZSA-N 0 0 314.385 3.413 20 10 DGCDRN CCc1cnc(NC(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000174204028 522053180 /nfs/dbraw/zinc/05/31/80/522053180.db2.gz SKLYDHJYLUEWMW-UHFFFAOYSA-N 0 0 304.419 3.093 20 10 DGCDRN COC(=O)c1ccoc1COc1ccc(N2CCCC2)cc1 ZINC000267468669 522303662 /nfs/dbraw/zinc/30/36/62/522303662.db2.gz VIIUVWBPGWRMIF-UHFFFAOYSA-N 0 0 301.342 3.245 20 10 DGCDRN CC[C@@H](COC)NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000266912415 522582169 /nfs/dbraw/zinc/58/21/69/522582169.db2.gz ZVOMWRKYMCOQCI-INIZCTEOSA-N 0 0 321.465 3.098 20 10 DGCDRN CCc1ncnc(NCc2ccc(N3CCCC3)cc2)c1F ZINC000180001670 522609264 /nfs/dbraw/zinc/60/92/64/522609264.db2.gz ZXDMNUJIRBBWAP-UHFFFAOYSA-N 0 0 300.381 3.390 20 10 DGCDRN COc1cc(N(C)Cc2ncc(C)s2)cc(OC)c1OC ZINC000180509618 522621155 /nfs/dbraw/zinc/62/11/55/522621155.db2.gz NANZPBWHOBVAAS-UHFFFAOYSA-N 0 0 308.403 3.114 20 10 DGCDRN COc1cc(O)c(CN2CCc3ccc(F)cc3C2)cc1OC ZINC000160455954 522779407 /nfs/dbraw/zinc/77/94/07/522779407.db2.gz AYZINQOSSFFSAQ-UHFFFAOYSA-N 0 0 317.360 3.107 20 10 DGCDRN COc1cc2c(cc1NCC(=O)N1CCC1)oc1ccccc12 ZINC000267183522 523019016 /nfs/dbraw/zinc/01/90/16/523019016.db2.gz FYYXSDRJRQRAOC-UHFFFAOYSA-N 0 0 310.353 3.239 20 10 DGCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1ccncc1Cl ZINC000267373312 523264513 /nfs/dbraw/zinc/26/45/13/523264513.db2.gz KIHBBFPOXSAJIZ-UHFFFAOYSA-N 0 0 317.820 3.208 20 10 DGCDRN COc1ccc(C(C)(C)C(=O)Nc2ccc(N)cc2)cc1OC ZINC000237160390 523787044 /nfs/dbraw/zinc/78/70/44/523787044.db2.gz ODCADQSRNDEYMH-UHFFFAOYSA-N 0 0 314.385 3.202 20 10 DGCDRN CCc1ccc([C@@H]2COCCN2Cc2cc(OC)ccc2O)o1 ZINC000180289520 524039655 /nfs/dbraw/zinc/03/96/55/524039655.db2.gz AEWQMRMZJLUMOT-INIZCTEOSA-N 0 0 317.385 3.130 20 10 DGCDRN CCc1ccc([C@H](COC)NCc2ccc3c(c2)CCO3)o1 ZINC000174476085 524050640 /nfs/dbraw/zinc/05/06/40/524050640.db2.gz LFOPVZMZOXRNGW-INIZCTEOSA-N 0 0 301.386 3.254 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)[C@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000266150075 524120123 /nfs/dbraw/zinc/12/01/23/524120123.db2.gz IVTBUDVQCAJTHV-HOCLYGCPSA-N 0 0 312.413 3.249 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)c1ncon1 ZINC000182539310 524218570 /nfs/dbraw/zinc/21/85/70/524218570.db2.gz NZYXQQVCWHCIKC-LLVKDONJSA-N 0 0 316.386 3.030 20 10 DGCDRN Cc1cc(C)c(C(=O)N(C)Cc2ccccc2O)c(Cl)n1 ZINC000182157630 524219827 /nfs/dbraw/zinc/21/98/27/524219827.db2.gz RRDGPKANLZJUDR-UHFFFAOYSA-N 0 0 304.777 3.330 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H]1CC[C@@H](O)C1 ZINC000191364543 524219825 /nfs/dbraw/zinc/21/98/25/524219825.db2.gz WSVYLBAXSLGRHS-ZIAGYGMSSA-N 0 0 318.442 3.046 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)Cc1ccon1 ZINC000265780144 524220050 /nfs/dbraw/zinc/22/00/50/524220050.db2.gz FVXUBENXCSDLNO-UHFFFAOYSA-N 0 0 315.398 3.416 20 10 DGCDRN O=C(C=Cc1ccc(O)c(O)c1)Nc1cccc(-c2cc[nH]n2)c1 ZINC000180920066 534774389 /nfs/dbraw/zinc/77/43/89/534774389.db2.gz ZHJZJDCAABSCBO-FNORWQNLSA-N 0 0 321.336 3.140 20 10 DGCDRN Cc1ccc(CCCCC(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000158949569 524315349 /nfs/dbraw/zinc/31/53/49/524315349.db2.gz SKCSZWABRCDZGI-UHFFFAOYSA-N 0 0 313.397 3.435 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H]1c1ccccc1 ZINC000180898847 534774782 /nfs/dbraw/zinc/77/47/82/534774782.db2.gz AVMPAVKQCNLPLQ-SOGBHIHOSA-N 0 0 309.365 3.475 20 10 DGCDRN COc1ccc(N(C)C[C@H](O)c2ccc(F)cc2F)c(OC)c1 ZINC000131665594 524352885 /nfs/dbraw/zinc/35/28/85/524352885.db2.gz BMOPHDADFXJPSP-INIZCTEOSA-N 0 0 323.339 3.152 20 10 DGCDRN C[C@@H](CC(=O)NCCc1ccc(N)cc1)c1ccccc1F ZINC000152587752 524371016 /nfs/dbraw/zinc/37/10/16/524371016.db2.gz HRAAZQPQPPDSJN-ZDUSSCGKSA-N 0 0 300.377 3.260 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1cc(Cl)nc(C2CC2)n1 ZINC000183598139 524893501 /nfs/dbraw/zinc/89/35/01/524893501.db2.gz YDQVFTLOTXKGEZ-VIFPVBQESA-N 0 0 319.792 3.462 20 10 DGCDRN Cc1cccc2c(CC(=O)NCc3ccc(N(C)C)cc3)c[nH]c21 ZINC000124234325 524932120 /nfs/dbraw/zinc/93/21/20/524932120.db2.gz DQALIMQFHKUVRM-UHFFFAOYSA-N 0 0 321.424 3.401 20 10 DGCDRN C[C@@H](N(C)C(=O)NCc1ccc(N2CC=CC2)cc1)C1(C)CC1 ZINC000176541974 524978452 /nfs/dbraw/zinc/97/84/52/524978452.db2.gz SWQBBLVMGLKYAH-OAHLLOKOSA-N 0 0 313.445 3.393 20 10 DGCDRN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Cc1ccc(N)cc1 ZINC000159799911 525460609 /nfs/dbraw/zinc/46/06/09/525460609.db2.gz WMLROQMBRVZIOU-CJNGLKHVSA-N 0 0 312.388 3.355 20 10 DGCDRN Cc1ccc(SCC(=O)NCCc2ccc(N)cc2)c(C)c1 ZINC000269152497 525646669 /nfs/dbraw/zinc/64/66/69/525646669.db2.gz UBRIHYLNZBWNNM-UHFFFAOYSA-N 0 0 314.454 3.337 20 10 DGCDRN CSC[C@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000266746322 525685934 /nfs/dbraw/zinc/68/59/34/525685934.db2.gz DUFPDCNXRDWSEA-AWEZNQCLSA-N 0 0 323.506 3.424 20 10 DGCDRN C[C@@]1(c2ccccc2)CCCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000158612796 525895562 /nfs/dbraw/zinc/89/55/62/525895562.db2.gz WSRXCWLPLLVIDR-HXUWFJFHSA-N 0 0 308.425 3.392 20 10 DGCDRN Cc1cncc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000266293065 526178726 /nfs/dbraw/zinc/17/87/26/526178726.db2.gz ZSFGREREDLHHID-UHFFFAOYSA-N 0 0 309.413 3.261 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000365938755 526324053 /nfs/dbraw/zinc/32/40/53/526324053.db2.gz XVJXSKKRGZQDSS-TVQRCGJNSA-N 0 0 302.201 3.310 20 10 DGCDRN Cc1csc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000126956132 526342418 /nfs/dbraw/zinc/34/24/18/526342418.db2.gz LQWXQZIPFDTJKS-HNNXBMFYSA-N 0 0 318.442 3.338 20 10 DGCDRN Oc1cccc(Cl)c1CNc1cnn(CC(F)(F)F)c1 ZINC000124796479 526365259 /nfs/dbraw/zinc/36/52/59/526365259.db2.gz JSVBDNPPXGFHDH-UHFFFAOYSA-N 0 0 305.687 3.417 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000159005750 526686483 /nfs/dbraw/zinc/68/64/83/526686483.db2.gz BRKQTIBWPQBOFZ-WDEREUQCSA-N 0 0 317.307 3.083 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000159084441 526686898 /nfs/dbraw/zinc/68/68/98/526686898.db2.gz RVJOAYFPQIGRIP-MNOVXSKESA-N 0 0 317.307 3.083 20 10 DGCDRN O=C(CNc1ccccc1)NCc1ccc(N2CCCC2)cc1 ZINC000177057482 526898758 /nfs/dbraw/zinc/89/87/58/526898758.db2.gz FXEJWLHHARJNGJ-UHFFFAOYSA-N 0 0 309.413 3.015 20 10 DGCDRN Cn1c(-c2ccccc2)cnc1SC[C@@H](O)CC(F)(F)F ZINC000189331936 527017878 /nfs/dbraw/zinc/01/78/78/527017878.db2.gz BQBMHBIKYUFAPP-NSHDSACASA-N 0 0 316.348 3.493 20 10 DGCDRN Nc1ccc(CC(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000237915212 527477772 /nfs/dbraw/zinc/47/77/72/527477772.db2.gz BKWGLNAAOCQHEQ-HKUYNNGSSA-N 0 0 308.425 3.339 20 10 DGCDRN Nc1ccc(CCNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)cc1 ZINC000152590434 527481339 /nfs/dbraw/zinc/48/13/39/527481339.db2.gz HOINQCRYOPPYBA-LSDHHAIUSA-N 0 0 316.351 3.009 20 10 DGCDRN Nc1ccc(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)cc1 ZINC000238033067 527494985 /nfs/dbraw/zinc/49/49/85/527494985.db2.gz YKPINJQERJNFLF-KRWDZBQOSA-N 0 0 312.369 3.079 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000180809231 527613864 /nfs/dbraw/zinc/61/38/64/527613864.db2.gz UIXYAKOEGXBMDE-LKUPDRCFSA-N 0 0 323.392 3.202 20 10 DGCDRN CCN(C[C@@H](O)c1ccc(F)cc1)c1ccc(OC)c(OC)c1 ZINC000299274357 528671282 /nfs/dbraw/zinc/67/12/82/528671282.db2.gz LHEQAOUXBRPTLS-MRXNPFEDSA-N 0 0 319.376 3.403 20 10 DGCDRN CC(C)(CNC(=O)c1c(F)ccc(O)c1O)c1cccs1 ZINC000276662266 535139393 /nfs/dbraw/zinc/13/93/93/535139393.db2.gz YFAQPZRRLLFMSX-UHFFFAOYSA-N 0 0 309.362 3.006 20 10 DGCDRN CC(C)[C@@H]1C[C@@H](CC(=O)N(C)Cc2ccccc2O)CCO1 ZINC000272899498 535266154 /nfs/dbraw/zinc/26/61/54/535266154.db2.gz XURUYSVINRXWQW-YOEHRIQHSA-N 0 0 305.418 3.192 20 10 DGCDRN CCN(C(=O)/C=C/c1c(C)nn(C)c1Cl)c1cccnc1C ZINC000493749367 535652509 /nfs/dbraw/zinc/65/25/09/535652509.db2.gz SDNDYTVPTPBOSX-CMDGGOBGSA-N 0 0 318.808 3.152 20 10 DGCDRN CC[C@@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1ccc(F)cc1[O-] ZINC000286375716 535808951 /nfs/dbraw/zinc/80/89/51/535808951.db2.gz ALERGCVTZSYCRY-CABCVRRESA-N 0 0 303.381 3.383 20 10 DGCDRN CC[C@@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccc(F)cc1[O-] ZINC000286080784 535809056 /nfs/dbraw/zinc/80/90/56/535809056.db2.gz LNOVCNOFXXNVIF-GOEBONIOSA-N 0 0 315.392 3.246 20 10 DGCDRN CC[C@H]([NH2+]CCC(=O)NC1CCCCC1)c1ccc(F)cc1[O-] ZINC000286034358 535899311 /nfs/dbraw/zinc/89/93/11/535899311.db2.gz KGIVZDADAXDDJP-INIZCTEOSA-N 0 0 322.424 3.411 20 10 DGCDRN COC1(CC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CCC1 ZINC000277009663 536594663 /nfs/dbraw/zinc/59/46/63/536594663.db2.gz ZPHJOVZVBABCNB-UHFFFAOYSA-N 0 0 318.461 3.449 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCCCSC)c1 ZINC000274780262 536793970 /nfs/dbraw/zinc/79/39/70/536793970.db2.gz KHLYLUNYNXIGBS-LBPRGKRZSA-N 0 0 311.447 3.363 20 10 DGCDRN CC1(C)CN(C(=O)c2c[nH]nc2-c2cccnc2)c2ccccc21 ZINC000675148397 548161395 /nfs/dbraw/zinc/16/13/95/548161395.db2.gz PHWQHCUGJWOLBE-UHFFFAOYSA-N 0 0 318.380 3.410 20 10 DGCDRN CCOCCN(CC)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000730901180 574538366 /nfs/dbraw/zinc/53/83/66/574538366.db2.gz AJZNNSWFCLQJBB-UHFFFAOYSA-N 0 0 321.465 3.101 20 10 DGCDRN COc1ccc2c(c1)CCCN2CC(=O)OCc1ccccc1 ZINC000731030707 574542242 /nfs/dbraw/zinc/54/22/42/574542242.db2.gz JECVBSOLOGZOAQ-UHFFFAOYSA-N 0 0 311.381 3.191 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H](C)OCC(C)C)cc1F ZINC000731346655 574547567 /nfs/dbraw/zinc/54/75/67/574547567.db2.gz OFIGEAQANMMZFT-AWEZNQCLSA-N 0 0 324.440 3.349 20 10 DGCDRN O=C(Nc1nc(-c2cccnc2)cs1)C1=CC(=O)CS1 ZINC000731865014 574560652 /nfs/dbraw/zinc/56/06/52/574560652.db2.gz HZPYYVAWPIRCNQ-UHFFFAOYSA-N 0 0 303.368 3.225 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N(C)Cc1ncc[nH]1 ZINC000731880619 574561024 /nfs/dbraw/zinc/56/10/24/574561024.db2.gz RRZKRTVZWVCJPT-UHFFFAOYSA-N 0 0 322.412 3.398 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn2ccccc12 ZINC000731897154 574561390 /nfs/dbraw/zinc/56/13/90/574561390.db2.gz OQHOPVIWEDNXKM-UHFFFAOYSA-N 0 0 322.412 3.063 20 10 DGCDRN Cc1cc(C(=O)COC(=O)C2=CC(=O)CS2)c(C)n1C1CC1 ZINC000731910980 574561758 /nfs/dbraw/zinc/56/17/58/574561758.db2.gz YEQKUGLUPUUPQI-UHFFFAOYSA-N 0 0 319.382 3.247 20 10 DGCDRN Cc1ccc(NC(=O)[C@H](C)OC(=O)C2=CC(=O)CS2)cc1F ZINC000731910251 574561920 /nfs/dbraw/zinc/56/19/20/574561920.db2.gz QGNNVPFGKUOYPM-VIFPVBQESA-N 0 0 323.345 3.085 20 10 DGCDRN Cc1ncc(CN(Cc2ccco2)Cc2ccccc2O)cn1 ZINC000732202552 574567828 /nfs/dbraw/zinc/56/78/28/574567828.db2.gz WEAKGRYINVQGNX-UHFFFAOYSA-N 0 0 309.369 3.286 20 10 DGCDRN Cc1ccccc1OCCCN(C)C(=O)C1=CC(=O)CS1 ZINC000732274338 574570052 /nfs/dbraw/zinc/57/00/52/574570052.db2.gz GAHPCWPLDRSKMU-UHFFFAOYSA-N 0 0 305.399 3.303 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cnn2ccccc12 ZINC000732282903 574570450 /nfs/dbraw/zinc/57/04/50/574570450.db2.gz BISGTAWFRXIIRD-UHFFFAOYSA-N 0 0 309.369 3.092 20 10 DGCDRN CCCN1Cc2cccc(NC(=O)C3=CC(=O)CS3)c2C1 ZINC000732283797 574570473 /nfs/dbraw/zinc/57/04/73/574570473.db2.gz DTSGGKNPSTUJRH-UHFFFAOYSA-N 0 0 302.399 3.432 20 10 DGCDRN CCc1cccc(C)c1NC(=O)COC(=O)C1=CC(=O)CS1 ZINC000732353719 574572095 /nfs/dbraw/zinc/57/20/95/574572095.db2.gz SSWJELFSBUPJGY-UHFFFAOYSA-N 0 0 319.382 3.120 20 10 DGCDRN Cc1nc2ccccc2nc1COC(=O)C1=CC(=O)CS1 ZINC000732352958 574572275 /nfs/dbraw/zinc/57/22/75/574572275.db2.gz AOPULBUHWQJAED-UHFFFAOYSA-N 0 0 300.339 3.062 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCCc1cccc(F)c1F ZINC000732893195 574586865 /nfs/dbraw/zinc/58/68/65/574586865.db2.gz AOMYBCBPYHXMRR-UHFFFAOYSA-N 0 0 320.339 3.055 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CC1(C)C ZINC000732892717 574586959 /nfs/dbraw/zinc/58/69/59/574586959.db2.gz GEQFWSPSYAPSJA-HNNXBMFYSA-N 0 0 303.450 3.330 20 10 DGCDRN CN(C)C(=O)Sc1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC000733365277 574617894 /nfs/dbraw/zinc/61/78/94/574617894.db2.gz YAQCNHSSCAKIHW-UHFFFAOYSA-N 0 0 322.411 3.480 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@H]2CCC[C@H](C(C)C)C2)c1 ZINC000734070141 574649764 /nfs/dbraw/zinc/64/97/64/574649764.db2.gz CFBDDOPICCKMBJ-ZFWWWQNUSA-N 0 0 320.433 3.415 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CO[C@@H]1CCC[C@@H](C)C1 ZINC000734406714 574659961 /nfs/dbraw/zinc/65/99/61/574659961.db2.gz ZJPWDYHCOJSDBO-RDTXWAMCSA-N 0 0 318.461 3.273 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](C)C(C)(C)C)c1 ZINC000734533599 574666929 /nfs/dbraw/zinc/66/69/29/574666929.db2.gz JAGFGWMYHJTLFU-NEPJUHHUSA-N 0 0 308.422 3.443 20 10 DGCDRN COc1ccc(CN[C@H](CO)c2c(F)cccc2F)cc1C ZINC000734847781 574678754 /nfs/dbraw/zinc/67/87/54/574678754.db2.gz UNKZWPJICREKME-OAHLLOKOSA-N 0 0 307.340 3.105 20 10 DGCDRN CC(C)SCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000735517785 574705850 /nfs/dbraw/zinc/70/58/50/574705850.db2.gz OJNTXZVBUZTGHO-OAHLLOKOSA-N 0 0 323.458 3.041 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000736723868 574804064 /nfs/dbraw/zinc/80/40/64/574804064.db2.gz BKILABHFKKRACS-LBPRGKRZSA-N 0 0 305.374 3.298 20 10 DGCDRN CSCCCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000737055820 574819737 /nfs/dbraw/zinc/81/97/37/574819737.db2.gz KWYXGBJRCQCPIM-UHFFFAOYSA-N 0 0 321.490 3.180 20 10 DGCDRN CCN(CC)c1ccc(CN(C)[C@@H](C)c2nnc(C)o2)cc1 ZINC000738300214 574865105 /nfs/dbraw/zinc/86/51/05/574865105.db2.gz UUWQJDZUWCZGFU-ZDUSSCGKSA-N 0 0 302.422 3.417 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[C@@H]1CCOC1 ZINC000739688308 574910445 /nfs/dbraw/zinc/91/04/45/574910445.db2.gz NRXONJLFTXEGSM-KRWDZBQOSA-N 0 0 316.445 3.062 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000739922389 574915862 /nfs/dbraw/zinc/91/58/62/574915862.db2.gz JVPDAMGUVLCIAC-RLFYNMQTSA-N 0 0 318.461 3.462 20 10 DGCDRN O=C([O-])c1ccc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)o1 ZINC000740132827 574925130 /nfs/dbraw/zinc/92/51/30/574925130.db2.gz LEYMRBBGGNJJTO-UHFFFAOYSA-N 0 0 314.385 3.258 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1Cc2ccccc21 ZINC000740742504 574941081 /nfs/dbraw/zinc/94/10/81/574941081.db2.gz NSUMMQLRBALSJY-IBGZPJMESA-N 0 0 308.425 3.441 20 10 DGCDRN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1nc(C(C)(C)C)no1 ZINC000742390883 574996019 /nfs/dbraw/zinc/99/60/19/574996019.db2.gz SUXDHXBJCQOQGO-NSHDSACASA-N 0 0 320.412 3.423 20 10 DGCDRN CC(C)CO[C@@H](C)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000742468582 575001680 /nfs/dbraw/zinc/00/16/80/575001680.db2.gz MEWRONHMPIPDCM-INIZCTEOSA-N 0 0 318.461 3.354 20 10 DGCDRN C[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)C(F)(F)F ZINC000742589539 575007873 /nfs/dbraw/zinc/00/78/73/575007873.db2.gz QCTJLXLMYZSCLW-LBPRGKRZSA-N 0 0 314.351 3.492 20 10 DGCDRN Cc1cc(F)cc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000742597305 575008457 /nfs/dbraw/zinc/00/84/57/575008457.db2.gz USXQLOMQTDWTNX-UHFFFAOYSA-N 0 0 304.340 3.269 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cncc(C)c2)cc1F ZINC000742654701 575010650 /nfs/dbraw/zinc/01/06/50/575010650.db2.gz YIDFGFVDKCBBLJ-UHFFFAOYSA-N 0 0 315.392 3.305 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc2nccn2c1 ZINC000743170333 575037597 /nfs/dbraw/zinc/03/75/97/575037597.db2.gz LPAVRHHQSDEXNG-UHFFFAOYSA-N 0 0 324.384 3.484 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)c2ccc(C)o2)c1 ZINC000743335920 575043746 /nfs/dbraw/zinc/04/37/46/575043746.db2.gz DCGMBSFWGKEMRO-NEPJUHHUSA-N 0 0 303.358 3.283 20 10 DGCDRN CC[C@](C)(O)CNC(=O)c1sccc1-n1c(C)ccc1C ZINC000743760544 575062841 /nfs/dbraw/zinc/06/28/41/575062841.db2.gz OANGTVVCAAOKDX-INIZCTEOSA-N 0 0 306.431 3.046 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccccc2F)c1 ZINC000728938767 575196491 /nfs/dbraw/zinc/19/64/91/575196491.db2.gz PZDHXRFTBGXRDV-JTQLQIEISA-N 0 0 304.321 3.423 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(F)ccc2F)c1 ZINC000728985358 575199266 /nfs/dbraw/zinc/19/92/66/575199266.db2.gz WPBGSOUHQVOWRW-SECBINFHSA-N 0 0 307.296 3.170 20 10 DGCDRN COc1cccc(CNc2ccnc(-c3ccccc3)n2)c1O ZINC000729181468 575222842 /nfs/dbraw/zinc/22/28/42/575222842.db2.gz FXCFMLGXAAVCSC-UHFFFAOYSA-N 0 0 307.353 3.470 20 10 DGCDRN CCCN(CCC)C(=O)C[N@H+](CCC)Cc1ccccc1O ZINC000729474951 575250917 /nfs/dbraw/zinc/25/09/17/575250917.db2.gz LZQBNWWHOUGGQT-UHFFFAOYSA-N 0 0 306.450 3.253 20 10 DGCDRN CCC[C@H](NC(=O)N(C)Cc1ccccc1O)c1ccccn1 ZINC000729612219 575257435 /nfs/dbraw/zinc/25/74/35/575257435.db2.gz COFGMUZTQHHVJH-INIZCTEOSA-N 0 0 313.401 3.470 20 10 DGCDRN CCOc1ccc(N(C)C(=O)/C=C\c2cncc(F)c2)cc1 ZINC000739618877 575264524 /nfs/dbraw/zinc/26/45/24/575264524.db2.gz YXDUNENPXKVXMZ-WTKPLQERSA-N 0 0 300.333 3.296 20 10 DGCDRN CC(C)Oc1ccccc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000729945983 575268050 /nfs/dbraw/zinc/26/80/50/575268050.db2.gz QOUGIIWBUOESHJ-UHFFFAOYSA-N 0 0 312.413 3.470 20 10 DGCDRN Cc1cc(CC(=O)OCCCO)c(C)n1-c1ccc(Cl)cc1 ZINC000744589977 575349814 /nfs/dbraw/zinc/34/98/14/575349814.db2.gz PTDBQEYDQUBTKW-UHFFFAOYSA-N 0 0 321.804 3.216 20 10 DGCDRN C[C@@H]1CC[C@@H](C)N(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000745788453 575417734 /nfs/dbraw/zinc/41/77/34/575417734.db2.gz KWRZHZXDKCEBBT-HUUCEWRRSA-N 0 0 315.461 3.399 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H](C)CC[C@H]1C ZINC000745828138 575419191 /nfs/dbraw/zinc/41/91/91/575419191.db2.gz OMGHPAQNOJTUFC-DZGCQCFKSA-N 0 0 303.450 3.391 20 10 DGCDRN CSCCCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000745832465 575419836 /nfs/dbraw/zinc/41/98/36/575419836.db2.gz PHIOLGFRNXPVFL-UHFFFAOYSA-N 0 0 323.506 3.426 20 10 DGCDRN CC[C@H]1CCCCN1C(=O)CN(CC)c1ccc(OC)cc1 ZINC000746109249 575433107 /nfs/dbraw/zinc/43/31/07/575433107.db2.gz NHVIVWIPQLTZDD-HNNXBMFYSA-N 0 0 304.434 3.313 20 10 DGCDRN COc1ccc(N(CCn2c(C)csc2=O)CC(C)C)cc1 ZINC000746171147 575437766 /nfs/dbraw/zinc/43/77/66/575437766.db2.gz QXTUSKPKDROKHG-UHFFFAOYSA-N 0 0 320.458 3.389 20 10 DGCDRN C[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)c1cccnc1 ZINC000746172308 575438115 /nfs/dbraw/zinc/43/81/15/575438115.db2.gz KCVVVHLRWLCRFU-MRXNPFEDSA-N 0 0 323.440 3.492 20 10 DGCDRN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)Cc1ccc(N)cc1)CC3 ZINC000746314563 575445265 /nfs/dbraw/zinc/44/52/65/575445265.db2.gz QDHNDXIXXZYWLC-UHFFFAOYSA-N 0 0 319.408 3.186 20 10 DGCDRN CCCN(CC(F)(F)F)C(=O)NCc1ccc(N(C)C)cc1 ZINC000746509930 575457221 /nfs/dbraw/zinc/45/72/21/575457221.db2.gz XOROYYPCROPQFU-UHFFFAOYSA-N 0 0 317.355 3.237 20 10 DGCDRN CC[C@@H](C)[C@@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000746724442 575472185 /nfs/dbraw/zinc/47/21/85/575472185.db2.gz GCFKIYHHWUAOGV-ZIAGYGMSSA-N 0 0 303.450 3.303 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cncc3ccccc32)cc1F ZINC000746805251 575476033 /nfs/dbraw/zinc/47/60/33/575476033.db2.gz MBCLTHXPTHAIOM-UHFFFAOYSA-N 0 0 323.371 3.370 20 10 DGCDRN CCC(CC)[C@@H](CCNC(=O)NCc1ccccc1O)OC ZINC000747403218 575516305 /nfs/dbraw/zinc/51/63/05/575516305.db2.gz IEIOGLSNRSVDJQ-MRXNPFEDSA-N 0 0 308.422 3.033 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Cc1coc2cc(F)ccc12 ZINC000748298613 575578948 /nfs/dbraw/zinc/57/89/48/575578948.db2.gz VNCNAJFOVCKUSZ-UHFFFAOYSA-N 0 0 313.328 3.479 20 10 DGCDRN Cc1sc(-c2ccco2)nc1C(=O)NCc1ccccc1O ZINC000748347160 575581176 /nfs/dbraw/zinc/58/11/76/575581176.db2.gz XJVCPXUFRNRSNJ-UHFFFAOYSA-N 0 0 314.366 3.347 20 10 DGCDRN O=C(NCc1ccccc1O)c1cc2cc(Cl)ccc2[nH]1 ZINC000748347173 575581663 /nfs/dbraw/zinc/58/16/63/575581663.db2.gz XXLFDKWJJXNKSM-UHFFFAOYSA-N 0 0 300.745 3.457 20 10 DGCDRN Cc1oc(-c2ccccc2)nc1CC(=O)NCc1ccccc1O ZINC000748345638 575581685 /nfs/dbraw/zinc/58/16/85/575581685.db2.gz GJQQZFMCZJTHLW-UHFFFAOYSA-N 0 0 322.364 3.215 20 10 DGCDRN CCO[C@H]1C[C@@H](NC(=O)C2=CC(=O)CS2)C12CCCCC2 ZINC000748339395 575581736 /nfs/dbraw/zinc/58/17/36/575581736.db2.gz NKVDHRUSEKSYFL-KGLIPLIRSA-N 0 0 309.431 3.311 20 10 DGCDRN CCC[C@@H](C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000748604880 575597411 /nfs/dbraw/zinc/59/74/11/575597411.db2.gz OFQCVOGYTQGHNR-OAHLLOKOSA-N 0 0 304.434 3.170 20 10 DGCDRN CCc1ccc(O)c(C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000748837183 575611002 /nfs/dbraw/zinc/61/10/02/575611002.db2.gz FMPKSAVGVAAZOI-UHFFFAOYSA-N 0 0 324.424 3.485 20 10 DGCDRN CCCCO[C@H]1C[C@@H](NC(=O)NCc2ccccc2O)C1(C)C ZINC000748958726 575617327 /nfs/dbraw/zinc/61/73/27/575617327.db2.gz GRRSOMQLEYHWJQ-CVEARBPZSA-N 0 0 320.433 3.175 20 10 DGCDRN COCCONC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000749417745 575654822 /nfs/dbraw/zinc/65/48/22/575654822.db2.gz IGTAPNWKGLDXQL-UHFFFAOYSA-N 0 0 316.401 3.019 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@H]1CCCO1 ZINC000749561351 575664990 /nfs/dbraw/zinc/66/49/90/575664990.db2.gz HXQHBDJGWRSGHE-MRXNPFEDSA-N 0 0 312.413 3.311 20 10 DGCDRN CC[C@@H](C)NC(=S)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000749760685 575675979 /nfs/dbraw/zinc/67/59/79/575675979.db2.gz WYCWHWWUHFYEPH-UKRRQHHQSA-N 0 0 322.474 3.046 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)COc1ccc(F)cc1 ZINC000750862080 575756590 /nfs/dbraw/zinc/75/65/90/575756590.db2.gz PFBKWUBZVAPUTO-UHFFFAOYSA-N 0 0 317.360 3.349 20 10 DGCDRN CN1CCc2cc(/C=C3\N=C(c4ccc(F)cc4)OC3=O)ccc21 ZINC000751522657 575788265 /nfs/dbraw/zinc/78/82/65/575788265.db2.gz HMFFQNUYKMYUOT-WJDWOHSUSA-N 0 0 322.339 3.163 20 10 DGCDRN CC[C@H](NC(=O)c1ccc(C)c(O)c1O)c1ccc(OC)cc1 ZINC000751530581 575788973 /nfs/dbraw/zinc/78/89/73/575788973.db2.gz OUXHKOHIVSNJOU-HNNXBMFYSA-N 0 0 315.369 3.296 20 10 DGCDRN CCOc1ccc([C@@H](C)NC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000751533443 575789457 /nfs/dbraw/zinc/78/94/57/575789457.db2.gz NYJOKNJXXNOVJT-GFCCVEGCSA-N 0 0 315.369 3.296 20 10 DGCDRN Cc1cc(N(C)C)ccc1NC(=O)c1ccc(C)c(O)c1O ZINC000751533278 575789603 /nfs/dbraw/zinc/78/96/03/575789603.db2.gz MFRBIHPVOIZUTN-UHFFFAOYSA-N 0 0 300.358 3.033 20 10 DGCDRN Cc1ccc(C(=O)NCC2(c3ccc(F)cc3)CC2)c(O)c1O ZINC000751535693 575789639 /nfs/dbraw/zinc/78/96/39/575789639.db2.gz SWFRCUPMBNIRLY-UHFFFAOYSA-N 0 0 315.344 3.007 20 10 DGCDRN COC(=O)CN(Cc1cc(C)cc(C(C)(C)C)c1O)C1CC1 ZINC000751952315 575814258 /nfs/dbraw/zinc/81/42/58/575814258.db2.gz JDITWNMLAWCBHQ-UHFFFAOYSA-N 0 0 305.418 3.136 20 10 DGCDRN CCC/C=C\C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000752151504 575824970 /nfs/dbraw/zinc/82/49/70/575824970.db2.gz JCYFEULXWFXJBE-LXYJIPTKSA-N 0 0 303.402 3.256 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H](C)SC)cc1 ZINC000752218450 575826578 /nfs/dbraw/zinc/82/65/78/575826578.db2.gz VBQWQSHJJXHQLW-CQSZACIVSA-N 0 0 323.506 3.426 20 10 DGCDRN CCOc1ccc(CNCc2csc([C@@H](C)OC)n2)c(O)c1 ZINC000752265510 575829879 /nfs/dbraw/zinc/82/98/79/575829879.db2.gz JCOQEGRGGLEUHV-LLVKDONJSA-N 0 0 322.430 3.245 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCC[C@H]1CCOC1 ZINC000752393052 575835389 /nfs/dbraw/zinc/83/53/89/575835389.db2.gz MRYOHJCRCCVNSO-AWEZNQCLSA-N 0 0 318.442 3.312 20 10 DGCDRN CCc1cccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1O ZINC000748009641 576058326 /nfs/dbraw/zinc/05/83/26/576058326.db2.gz UNONXAHYUBGIMU-UHFFFAOYSA-N 0 0 312.413 3.293 20 10 DGCDRN COc1ccc(Cl)cc1COC(=O)c1ccc(C)c(O)c1O ZINC000727005144 576093573 /nfs/dbraw/zinc/09/35/73/576093573.db2.gz IADHZYVQJYQXPD-UHFFFAOYSA-N 0 0 322.744 3.425 20 10 DGCDRN CC[C@H](C)Oc1cc(C=C2SC(=S)NC2=O)ccc1OC ZINC000749452884 576095720 /nfs/dbraw/zinc/09/57/20/576095720.db2.gz QMZOPILILVUZPV-LMRAXHDRSA-N 0 0 323.439 3.361 20 10 DGCDRN C/C=C\C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000728839255 576211490 /nfs/dbraw/zinc/21/14/90/576211490.db2.gz AHJOCLOUIZBDLP-PLNGDYQASA-N 0 0 300.324 3.220 20 10 DGCDRN C[C@@H]1C[C@@H](C)CN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000916587452 620637401 /nfs/dbraw/zinc/63/74/01/620637401.db2.gz IAQIONZDMKNOTK-HZPDHXFCSA-N 0 0 315.461 3.474 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H]2C[C@H]2C)cc1 ZINC000916639786 620640532 /nfs/dbraw/zinc/64/05/32/620640532.db2.gz OFANGZWBEQCSRR-ZBFHGGJFSA-N 0 0 303.450 3.330 20 10 DGCDRN CCN(C)c1ccc(CN2CCOc3ccc(O)cc3C2)cc1 ZINC000852688797 620641150 /nfs/dbraw/zinc/64/11/50/620641150.db2.gz KNWKFYLPBLVPCL-UHFFFAOYSA-N 0 0 312.413 3.243 20 10 DGCDRN Cc1cc(CN2CCc3nccnc3C2)ccc1N1CCCCC1 ZINC000852697415 620641642 /nfs/dbraw/zinc/64/16/42/620641642.db2.gz AHWKOKRAJDZMKH-UHFFFAOYSA-N 0 0 322.456 3.334 20 10 DGCDRN CCC[C@H](NC(=O)NCc1c(O)cccc1F)c1ccccn1 ZINC000916788662 620645604 /nfs/dbraw/zinc/64/56/04/620645604.db2.gz YPINMGFVQTUTJA-HNNXBMFYSA-N 0 0 317.364 3.267 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C)cc1O ZINC000154200192 620646942 /nfs/dbraw/zinc/64/69/42/620646942.db2.gz HPHJXSMELNBQNP-UHFFFAOYSA-N 0 0 312.413 3.429 20 10 DGCDRN CCCCCNC(=O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917074124 620654918 /nfs/dbraw/zinc/65/49/18/620654918.db2.gz PXEVADIGVPBDAL-UHFFFAOYSA-N 0 0 317.477 3.023 20 10 DGCDRN CCCCCC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000917385988 620667295 /nfs/dbraw/zinc/66/72/95/620667295.db2.gz HDMAVGYDJFJVBF-UHFFFAOYSA-N 0 0 306.475 3.436 20 10 DGCDRN Cc1cc(CC(=O)OC[C@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000853098572 620668419 /nfs/dbraw/zinc/66/84/19/620668419.db2.gz KPSGIOMCMQTRMY-INIZCTEOSA-N 0 0 313.397 3.216 20 10 DGCDRN CC(C)CN(CC(F)(F)F)C(=O)CSc1nccs1 ZINC000917672615 620681101 /nfs/dbraw/zinc/68/11/01/620681101.db2.gz UTJBYEJIGMEREB-UHFFFAOYSA-N 0 0 312.382 3.282 20 10 DGCDRN CCOC(=O)c1cnc(N[C@@H](C)c2cc(OC)ccc2O)s1 ZINC000853269397 620683684 /nfs/dbraw/zinc/68/36/84/620683684.db2.gz PTOJBFBVDVALBF-VIFPVBQESA-N 0 0 322.386 3.207 20 10 DGCDRN COc1ccccc1N(C)C(=O)/C=C/c1cnc2ccccc2n1 ZINC000917777110 620683756 /nfs/dbraw/zinc/68/37/56/620683756.db2.gz SOVNWEACTKBACF-VAWYXSNFSA-N 0 0 319.364 3.315 20 10 DGCDRN O=C(NCCCSc1nccs1)N1Cc2ccccc2C1 ZINC000154604633 620692517 /nfs/dbraw/zinc/69/25/17/620692517.db2.gz DCLVOBZLRJTLDP-UHFFFAOYSA-N 0 0 319.455 3.351 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cc(C(C)C)n[nH]2)cc1 ZINC000918111609 620696837 /nfs/dbraw/zinc/69/68/37/620696837.db2.gz RBQFVVGXRIIDRT-UHFFFAOYSA-N 0 0 314.433 3.309 20 10 DGCDRN Cc1noc(COc2ccc(N3CCCC3)cc2)c1[N+](=O)[O-] ZINC000853675743 620723691 /nfs/dbraw/zinc/72/36/91/620723691.db2.gz YOBSFKKBZSSVSO-UHFFFAOYSA-N 0 0 303.318 3.070 20 10 DGCDRN COc1ccc(N2CC[C@H](Nc3ccsc3[N+](=O)[O-])C2)cc1 ZINC000853758855 620734481 /nfs/dbraw/zinc/73/44/81/620734481.db2.gz LGKOPDPMGZTNCJ-NSHDSACASA-N 0 0 319.386 3.356 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H]2CCCC[C@@H]21 ZINC000853749304 620732913 /nfs/dbraw/zinc/73/29/13/620732913.db2.gz OTINLDNFEBFLQW-RDJZCZTQSA-N 0 0 301.434 3.145 20 10 DGCDRN COc1ccc(N2CC[C@H](Nc3cccc(Cl)n3)C2)cc1 ZINC000853758823 620734303 /nfs/dbraw/zinc/73/43/03/620734303.db2.gz KVRDIFADDCPMKN-LBPRGKRZSA-N 0 0 303.793 3.434 20 10 DGCDRN COc1ccc(N2CC[C@@H](Nc3ncc4c(n3)CCCC4)C2)cc1 ZINC000853760362 620734912 /nfs/dbraw/zinc/73/49/12/620734912.db2.gz JZZHSFBEUDHFGC-OAHLLOKOSA-N 0 0 324.428 3.055 20 10 DGCDRN C/C(=C/c1cccnc1)C(=O)N1CC2(CC2)Oc2ccccc21 ZINC000890618672 617626751 /nfs/dbraw/zinc/62/67/51/617626751.db2.gz WYWYORNNFWJSGN-KAMYIIQDSA-N 0 0 306.365 3.443 20 10 DGCDRN Cc1cncc(/C=C/C(=O)N2CC3(CC3)Oc3ccccc32)c1 ZINC000890620177 617627277 /nfs/dbraw/zinc/62/72/77/617627277.db2.gz FRWCNWYBGRXWMO-VOTSOKGWSA-N 0 0 306.365 3.361 20 10 DGCDRN CCS[C@@H](C(=O)NCc1cccc(Cl)c1O)C(C)C ZINC000890757892 617655749 /nfs/dbraw/zinc/65/57/49/617655749.db2.gz MBFNSUOININVKW-CYBMUJFWSA-N 0 0 301.839 3.440 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@H]1CCCCCC(=O)C1 ZINC000890759266 617656386 /nfs/dbraw/zinc/65/63/86/617656386.db2.gz IYMMXDCTWBCXIY-NSHDSACASA-N 0 0 309.793 3.201 20 10 DGCDRN Cc1nn(C(C)(C)C)cc1C(=O)NCc1cccc(Cl)c1O ZINC000890759261 617656430 /nfs/dbraw/zinc/65/64/30/617656430.db2.gz IVQQALSCBMOKSG-UHFFFAOYSA-N 0 0 321.808 3.236 20 10 DGCDRN CC(C)(C(=O)NCc1cccc(Cl)c1O)c1ccccn1 ZINC000890759258 617656466 /nfs/dbraw/zinc/65/64/66/617656466.db2.gz IQSJPTLRZGNLJN-UHFFFAOYSA-N 0 0 304.777 3.035 20 10 DGCDRN CC[C@H](C)CC[C@H](O)CC(=O)NCc1cccc(Cl)c1O ZINC000890759093 617656602 /nfs/dbraw/zinc/65/66/02/617656602.db2.gz BZIWSMOCLONTCQ-AAEUAGOBSA-N 0 0 313.825 3.239 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1CCOC2(CCC2)C1 ZINC000890763153 617658352 /nfs/dbraw/zinc/65/83/52/617658352.db2.gz PGXXDGMZMMFEQJ-LLVKDONJSA-N 0 0 309.793 3.011 20 10 DGCDRN CC1=C(C(=O)NCc2cccc(Cl)c2O)CCN1C(C)C ZINC000890763285 617658855 /nfs/dbraw/zinc/65/88/55/617658855.db2.gz ROCGWKFPVRAJGN-UHFFFAOYSA-N 0 0 308.809 3.050 20 10 DGCDRN CC[C@@H](C)CC(=O)NCc1cc(Br)ccc1O ZINC000804738319 617662414 /nfs/dbraw/zinc/66/24/14/617662414.db2.gz LVKIREZOMCFKRF-SECBINFHSA-N 0 0 300.196 3.207 20 10 DGCDRN CC1(C)CN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@@H]2CCC[C@@H]21 ZINC000891169032 617740739 /nfs/dbraw/zinc/74/07/39/617740739.db2.gz UBWJWWZCJDOVHR-MHVKHXTKSA-N 0 0 301.386 3.148 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@H]2CCSC(C)(C)C2)cc1 ZINC000891606693 617850769 /nfs/dbraw/zinc/85/07/69/617850769.db2.gz KIKANEAJDCOSJF-AWEZNQCLSA-N 0 0 321.490 3.226 20 10 DGCDRN CCCN(Cc1nc(Br)c[nH]1)Cc1ccccc1O ZINC000891853416 617912257 /nfs/dbraw/zinc/91/22/57/617912257.db2.gz LSNBSJBIDZCKFL-UHFFFAOYSA-N 0 0 324.222 3.290 20 10 DGCDRN C[C@H](Cc1ccco1)NC(=O)NCc1cccc(Cl)c1O ZINC000891909746 617925129 /nfs/dbraw/zinc/92/51/29/617925129.db2.gz YOQDLUQCYCFPTD-SNVBAGLBSA-N 0 0 308.765 3.069 20 10 DGCDRN CCOC(=O)c1cc(C(C)C)nc(Sc2nccs2)n1 ZINC000891963991 617935631 /nfs/dbraw/zinc/93/56/31/617935631.db2.gz OWDDOPGTYAHSTG-UHFFFAOYSA-N 0 0 309.416 3.384 20 10 DGCDRN Cc1csc(N2CCN(Cc3c(O)cccc3Cl)CC2)n1 ZINC000133864979 618032576 /nfs/dbraw/zinc/03/25/76/618032576.db2.gz LZYGFTZHYVFVAA-UHFFFAOYSA-N 0 0 323.849 3.133 20 10 DGCDRN O=C(Nc1cccc(N2CCCCC2)c1)c1ccc(O)cc1O ZINC000920007718 620777124 /nfs/dbraw/zinc/77/71/24/620777124.db2.gz LWSLZOJLSWJNRU-UHFFFAOYSA-N 0 0 312.369 3.340 20 10 DGCDRN CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000850569861 618118965 /nfs/dbraw/zinc/11/89/65/618118965.db2.gz BMLCRZFQSZGFKO-YLJLNXRRSA-N 0 0 318.186 3.122 20 10 DGCDRN CCC/C(C)=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000920216004 620790955 /nfs/dbraw/zinc/79/09/55/620790955.db2.gz JDXQCLLMNZYKLR-CCEZHUSRSA-N 0 0 302.418 3.090 20 10 DGCDRN C[C@@H]1Cc2cc(C(=O)NCc3ccc(N(C)C)cc3)ccc2O1 ZINC000854271959 620790997 /nfs/dbraw/zinc/79/09/97/620790997.db2.gz XBSNJTISZVWNHS-CYBMUJFWSA-N 0 0 310.397 3.006 20 10 DGCDRN CC[C@H](C)N(CC)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854295794 620792046 /nfs/dbraw/zinc/79/20/46/620792046.db2.gz CEVPMVACNGYJKK-LSDHHAIUSA-N 0 0 319.449 3.104 20 10 DGCDRN CCC[C@@H](C)N(C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854300876 620792720 /nfs/dbraw/zinc/79/27/20/620792720.db2.gz CHRNECNNIQWNNR-HUUCEWRRSA-N 0 0 319.449 3.104 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]C[C@@H](C(=O)[O-])C2CCC2)cc1 ZINC000854245635 620787878 /nfs/dbraw/zinc/78/78/78/620787878.db2.gz LAEJEHQNMIUWHY-QGZVFWFLSA-N 0 0 304.434 3.123 20 10 DGCDRN C[C@H](Cc1ccco1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000854323501 620795227 /nfs/dbraw/zinc/79/52/27/620795227.db2.gz AKNSLYWIHHUDKW-CQSZACIVSA-N 0 0 300.402 3.183 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(CF)cc2)cc1 ZINC000854325010 620795372 /nfs/dbraw/zinc/79/53/72/620795372.db2.gz VBSSYZILKIEOFN-UHFFFAOYSA-N 0 0 300.377 3.494 20 10 DGCDRN COc1cc(C)cc(CNc2cc3c(cc2C)OCO3)c1O ZINC000894434140 618329792 /nfs/dbraw/zinc/32/97/92/618329792.db2.gz OREIXNMQSMAQEF-UHFFFAOYSA-N 0 0 301.342 3.358 20 10 DGCDRN COc1ccc(CNc2ncc(Cl)cc2C)c(O)c1OC ZINC000894571481 618389163 /nfs/dbraw/zinc/38/91/63/618389163.db2.gz RQNZVALVKQCIOJ-UHFFFAOYSA-N 0 0 308.765 3.378 20 10 DGCDRN CC1(C)CC[C@@H]1C(=O)NCc1cc(Br)ccc1O ZINC000854442735 620804719 /nfs/dbraw/zinc/80/47/19/620804719.db2.gz VXHMYWZXGNVCRP-LLVKDONJSA-N 0 0 312.207 3.207 20 10 DGCDRN CO[C@@H](C)CN(C)C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000854445110 620804740 /nfs/dbraw/zinc/80/47/40/620804740.db2.gz MCFQNWZLTZSVIJ-HNNXBMFYSA-N 0 0 314.429 3.130 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000893135627 618440328 /nfs/dbraw/zinc/44/03/28/618440328.db2.gz OGOPOAXLHZMZFK-RYQLBKOJSA-N 0 0 311.429 3.051 20 10 DGCDRN C[C@@H](CN(C(=O)C1=CC(=O)CS1)[C@@H](C)CO)c1ccccc1 ZINC000854475949 620807345 /nfs/dbraw/zinc/80/73/45/620807345.db2.gz YMZQAUXKFOXZAJ-STQMWFEESA-N 0 0 319.426 3.080 20 10 DGCDRN CCc1nnc(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)s1 ZINC000894939958 618502112 /nfs/dbraw/zinc/50/21/12/618502112.db2.gz PTHBHJRZCSDXDL-CYBMUJFWSA-N 0 0 318.490 3.196 20 10 DGCDRN Cc1cc(O)c(CNc2ccc(OCCO)cc2)c(Cl)c1 ZINC000840904926 618515776 /nfs/dbraw/zinc/51/57/76/618515776.db2.gz FBLWHHMJWVDMAG-UHFFFAOYSA-N 0 0 307.777 3.337 20 10 DGCDRN CN(CC(F)F)C1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000775725729 618516784 /nfs/dbraw/zinc/51/67/84/618516784.db2.gz ZFHILJCDOPEWDE-UHFFFAOYSA-N 0 0 318.795 3.207 20 10 DGCDRN C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000775985867 618520127 /nfs/dbraw/zinc/52/01/27/618520127.db2.gz PJMCRFVZSWVEIK-UWVGGRQHSA-N 0 0 303.233 3.223 20 10 DGCDRN CSc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000015135129 618533623 /nfs/dbraw/zinc/53/36/23/618533623.db2.gz FCISMWNESAWEMQ-UHFFFAOYSA-N 0 0 300.427 3.405 20 10 DGCDRN COc1ccc(CNc2ncccc2SC)c(O)c1OC ZINC000895162035 618559240 /nfs/dbraw/zinc/55/92/40/618559240.db2.gz DMMKUNNUFZGYEP-UHFFFAOYSA-N 0 0 306.387 3.138 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1cccc(C(=O)N(C)C)c1 ZINC000840924162 618570294 /nfs/dbraw/zinc/57/02/94/618570294.db2.gz VQXBNOYWBHJBPX-UHFFFAOYSA-N 0 0 311.429 3.375 20 10 DGCDRN COc1ccc(CNc2cnc3c(c2)CCCC3)c(O)c1OC ZINC000893499296 618574412 /nfs/dbraw/zinc/57/44/12/618574412.db2.gz BRILOGYXMWOVAO-UHFFFAOYSA-N 0 0 314.385 3.295 20 10 DGCDRN CCC/C=C\C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000920741035 620817398 /nfs/dbraw/zinc/81/73/98/620817398.db2.gz DRJJJLQQDCICAN-ALCCZGGFSA-N 0 0 302.418 3.090 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1ccnn1C1CCC1 ZINC000893615342 618617007 /nfs/dbraw/zinc/61/70/07/618617007.db2.gz SUYYEEMIAFZOSM-UHFFFAOYSA-N 0 0 312.417 3.073 20 10 DGCDRN COC(=O)[C@@H](C)c1cccc(NCc2cc(OC)ccc2O)c1 ZINC000840958850 618635602 /nfs/dbraw/zinc/63/56/02/618635602.db2.gz VENGVLKKYUMUNU-LBPRGKRZSA-N 0 0 315.369 3.289 20 10 DGCDRN C[C@H]([NH2+]C[C@]1(C(F)(F)F)CCCN1)c1cc(F)cc(F)c1[O-] ZINC000925856042 618646861 /nfs/dbraw/zinc/64/68/61/618646861.db2.gz PUKKWDVVNCSFOR-SDBXPKJASA-N 0 0 324.293 3.006 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)N[C@@H]1CCCC(F)(F)C1 ZINC000893750515 618658767 /nfs/dbraw/zinc/65/87/67/618658767.db2.gz UKOTVAVPJDVYOI-SNVBAGLBSA-N 0 0 318.751 3.423 20 10 DGCDRN COc1ccc(CNc2ccc(F)c(OC)c2)c(O)c1OC ZINC000893867702 618668672 /nfs/dbraw/zinc/66/86/72/618668672.db2.gz PXQKPHYPGGJSLO-UHFFFAOYSA-N 0 0 307.321 3.169 20 10 DGCDRN CC[N@H+](CCCO)Cc1cc(Cl)cc(Br)c1[O-] ZINC000894052877 618700476 /nfs/dbraw/zinc/70/04/76/618700476.db2.gz DBZGVFOUPYAQGL-UHFFFAOYSA-N 0 0 322.630 3.012 20 10 DGCDRN COc1ccc(CNCc2csc(C(F)(F)F)n2)c(O)c1 ZINC000894184744 618725686 /nfs/dbraw/zinc/72/56/86/618725686.db2.gz FKZNQWPQJRJHCH-UHFFFAOYSA-N 0 0 318.320 3.166 20 10 DGCDRN CC(C)(C)OC(=O)CCC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790971663 618731762 /nfs/dbraw/zinc/73/17/62/618731762.db2.gz ULQRKKIYNZXSFE-UHFFFAOYSA-N 0 0 317.788 3.396 20 10 DGCDRN C[C@@H](NC(=O)N1C[C@@H]2CCC[C@@H]2C1)c1ccc(N(C)C)cc1 ZINC000894284484 618751963 /nfs/dbraw/zinc/75/19/63/618751963.db2.gz FRBADBRQAYNOEN-BMFZPTHFSA-N 0 0 301.434 3.255 20 10 DGCDRN COc1cc(Br)cc(CN2CC[C@@H]2C(F)F)c1O ZINC000895434962 618782903 /nfs/dbraw/zinc/78/29/03/618782903.db2.gz FIOIXZLYXAFWLT-SECBINFHSA-N 0 0 322.149 3.003 20 10 DGCDRN CC[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)C1CCOCC1 ZINC000790970664 625725935 /nfs/dbraw/zinc/72/59/35/625725935.db2.gz MUNFTJJPALIFBB-ZDUSSCGKSA-N 0 0 301.789 3.480 20 10 DGCDRN CC1([NH+]2CCC2)CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000895672083 618816283 /nfs/dbraw/zinc/81/62/83/618816283.db2.gz WBKZVKXBNVUPRB-UHFFFAOYSA-N 0 0 312.816 3.245 20 10 DGCDRN CC(C)OC(=O)C1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000895828048 618834540 /nfs/dbraw/zinc/83/45/40/618834540.db2.gz HOAQXRCSARIKTI-UHFFFAOYSA-N 0 0 311.809 3.209 20 10 DGCDRN CCCN(CC(F)F)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896014578 618861915 /nfs/dbraw/zinc/86/19/15/618861915.db2.gz GIIPSLOUPJOHIN-UHFFFAOYSA-N 0 0 315.341 3.430 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)C2C[C@H]3CC[C@@H](C2)S3)c1 ZINC000896164866 618880562 /nfs/dbraw/zinc/88/05/62/618880562.db2.gz UDHCPAYCBIUKLO-CRMUJIHISA-N 0 0 321.442 3.252 20 10 DGCDRN CSCC[C@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896460697 618916513 /nfs/dbraw/zinc/91/65/13/618916513.db2.gz XILXUJUIXKOWPE-QMMMGPOBSA-N 0 0 311.428 3.184 20 10 DGCDRN C[C@](O)(C[NH2+]Cc1cccc(Cl)c1[O-])c1cccc(F)c1 ZINC000896563693 618928867 /nfs/dbraw/zinc/92/88/67/618928867.db2.gz LDANZODIEBJGDQ-INIZCTEOSA-N 0 0 309.768 3.182 20 10 DGCDRN Cc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2c([O-])cccc2F)c1 ZINC000896637366 618939939 /nfs/dbraw/zinc/93/99/39/618939939.db2.gz MSFWUWCXGPZKCN-CYBMUJFWSA-N 0 0 316.376 3.347 20 10 DGCDRN C[NH+](C)CC[C@@H](NCc1cccc(Cl)c1[O-])c1cccnc1 ZINC000896718764 618947769 /nfs/dbraw/zinc/94/77/69/618947769.db2.gz CXRLGVLMJUJOAB-MRXNPFEDSA-N 0 0 319.836 3.223 20 10 DGCDRN CO[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)C(C)(C)C ZINC000896774218 618954220 /nfs/dbraw/zinc/95/42/20/618954220.db2.gz GTNLSSSWTXTRQF-AWEZNQCLSA-N 0 0 323.414 3.103 20 10 DGCDRN C[C@@H](NC(=O)N1Cc2cccc(O)c2C1)c1ccc2c(c1)CCO2 ZINC000896845645 618969288 /nfs/dbraw/zinc/96/92/88/618969288.db2.gz FAXWUFQFAFIWDU-GFCCVEGCSA-N 0 0 324.380 3.114 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=S)NCC(F)(F)F ZINC000750986987 618984178 /nfs/dbraw/zinc/98/41/78/618984178.db2.gz MAPPNDDVGYNVRX-UHFFFAOYSA-N 0 0 319.396 3.011 20 10 DGCDRN CC(C)(C)c1cc2n(n1)CCN(Cc1cc(F)ccc1O)C2 ZINC000896942630 618990840 /nfs/dbraw/zinc/99/08/40/618990840.db2.gz IEFLWFMLRKPRMQ-UHFFFAOYSA-N 0 0 303.381 3.041 20 10 DGCDRN CC1(C)Cc2cccc(NCc3cc4c(cc3O)OCO4)c2O1 ZINC000788973019 625310165 /nfs/dbraw/zinc/31/01/65/625310165.db2.gz LEQHZHSFWFSTLS-UHFFFAOYSA-N 0 0 313.353 3.447 20 10 DGCDRN O=C(c1cccc(O)c1O)N(Cc1cccc(F)c1)C1CCC1 ZINC000928664611 619034977 /nfs/dbraw/zinc/03/49/77/619034977.db2.gz BZLYEUAPQXNJTB-UHFFFAOYSA-N 0 0 315.344 3.432 20 10 DGCDRN CCOc1cccc(CNc2ccc(Cn3cncn3)cc2)c1O ZINC000121292565 619037199 /nfs/dbraw/zinc/03/71/99/619037199.db2.gz GVZUPELCISJSFA-UHFFFAOYSA-N 0 0 324.384 3.043 20 10 DGCDRN C[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H]1F ZINC000897332587 619060823 /nfs/dbraw/zinc/06/08/23/619060823.db2.gz LMCPLNOAFAQFCH-SCZZXKLOSA-N 0 0 309.362 3.133 20 10 DGCDRN CCN(CC)c1ccc(CN2CCc3c(ncn3CC)C2)cc1 ZINC000897337017 619063007 /nfs/dbraw/zinc/06/30/07/619063007.db2.gz UGCDUCZEYVBMMG-UHFFFAOYSA-N 0 0 312.461 3.308 20 10 DGCDRN COCCC(C)(C)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897390383 619102028 /nfs/dbraw/zinc/10/20/28/619102028.db2.gz ZELHNNSWHWYUCU-UHFFFAOYSA-N 0 0 323.414 3.105 20 10 DGCDRN C[C@H]1CSCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897558804 619159324 /nfs/dbraw/zinc/15/93/24/619159324.db2.gz CFYBZTHTXZZOLS-SECBINFHSA-N 0 0 323.439 3.138 20 10 DGCDRN C[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CCS1 ZINC000897563443 619160707 /nfs/dbraw/zinc/16/07/07/619160707.db2.gz MJEGKQZIKUQXQP-SECBINFHSA-N 0 0 323.439 3.280 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCOC12CCCCC2 ZINC000897658911 619172178 /nfs/dbraw/zinc/17/21/78/619172178.db2.gz QCFHHGLJNKBRMN-MRXNPFEDSA-N 0 0 318.417 3.025 20 10 DGCDRN Cc1cc(C)c2c(N)c(C(=O)OC[C@@H]3CC[C@@H](C)O3)sc2n1 ZINC000789010095 625324487 /nfs/dbraw/zinc/32/44/87/625324487.db2.gz AQAKNBGMZWNYGT-MNOVXSKESA-N 0 0 320.414 3.220 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cncs1 ZINC000897934105 619194553 /nfs/dbraw/zinc/19/45/53/619194553.db2.gz DTFOKJDKKHGKNU-SSDOTTSWSA-N 0 0 313.766 3.261 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ccnn1[C@H]1CCCOC1 ZINC000898090204 619211508 /nfs/dbraw/zinc/21/15/08/619211508.db2.gz AUXVQRRNIMPTKU-KRWDZBQOSA-N 0 0 314.433 3.221 20 10 DGCDRN C[C@@H]([NH2+]CCc1nc2c(s1)CCC2)c1c([O-])cccc1F ZINC000926928359 619250164 /nfs/dbraw/zinc/25/01/64/619250164.db2.gz DMWGYBXJEKAQSZ-SNVBAGLBSA-N 0 0 306.406 3.370 20 10 DGCDRN C[C@H]([NH2+]CCO[C@H]1CCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000927079545 619263058 /nfs/dbraw/zinc/26/30/58/619263058.db2.gz FXMKIFOYCWZAFT-UWVGGRQHSA-N 0 0 320.216 3.155 20 10 DGCDRN [O-]c1c(C[N@@H+]2CCCC[C@H]([C@H]3CCOC3)C2)ccc(F)c1F ZINC000898512923 619282217 /nfs/dbraw/zinc/28/22/17/619282217.db2.gz NDWBKYFZNLBYRR-JSGCOSHPSA-N 0 0 311.372 3.309 20 10 DGCDRN [O-]c1c(C[N@@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)ccc(F)c1F ZINC000898512924 619282282 /nfs/dbraw/zinc/28/22/82/619282282.db2.gz NDWBKYFZNLBYRR-OCCSQVGLSA-N 0 0 311.372 3.309 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)C[C@H]2CCC3(CCC3)CO2)c1 ZINC000899132954 619312929 /nfs/dbraw/zinc/31/29/29/619312929.db2.gz GPWZAVYFNKRFKL-OAHLLOKOSA-N 0 0 303.402 3.056 20 10 DGCDRN CC[C@@H](O)[C@@H](C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000900029232 619393108 /nfs/dbraw/zinc/39/31/08/619393108.db2.gz SZPCXBWEBTUIHF-CRAIPNDOSA-N 0 0 318.461 3.042 20 10 DGCDRN CC[C@@H](O)[C@H](C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000900029233 619393173 /nfs/dbraw/zinc/39/31/73/619393173.db2.gz SZPCXBWEBTUIHF-MAUKXSAKSA-N 0 0 318.461 3.042 20 10 DGCDRN CC(C)(C)OCCCCOC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000789071687 625351553 /nfs/dbraw/zinc/35/15/53/625351553.db2.gz CNVOWAZZOUTRFD-VQHVLOKHSA-N 0 0 308.374 3.250 20 10 DGCDRN CC[C@H](CC(F)F)Cn1cc(COc2ccc(N)cc2)nn1 ZINC000881384905 625358744 /nfs/dbraw/zinc/35/87/44/625358744.db2.gz HPDHTBHZBJYERL-LLVKDONJSA-N 0 0 310.348 3.121 20 10 DGCDRN C[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(Cl)c(Cl)c1[O-] ZINC000902470393 619642223 /nfs/dbraw/zinc/64/22/23/619642223.db2.gz WMMMXWPBOXYUQX-IWXIMVSXSA-N 0 0 301.217 3.243 20 10 DGCDRN C[C@H]1C[C@H]([NH2+]Cc2cnn(CCF)c2)c2c1c(F)ccc2O ZINC000903274426 619750582 /nfs/dbraw/zinc/75/05/82/619750582.db2.gz MBTVXDJQHPNGBZ-GWCFXTLKSA-N 0 0 307.344 3.035 20 10 DGCDRN Cc1ccc(O)c([C@@H](C)NCc2ncc(Br)cn2)c1 ZINC000903320848 619755612 /nfs/dbraw/zinc/75/56/12/619755612.db2.gz RZFFPLKMJBHYND-SNVBAGLBSA-N 0 0 322.206 3.104 20 10 DGCDRN CCn1nc(-c2nc(Cc3ccc(N)cc3)no2)cc1C1CC1 ZINC000904077895 619871506 /nfs/dbraw/zinc/87/15/06/619871506.db2.gz KOKRDLZFWKPTBR-UHFFFAOYSA-N 0 0 309.373 3.003 20 10 DGCDRN Cn1ccc([C@@H]2CCC[N@H+](Cc3c(O)ccc4ccncc43)C2)n1 ZINC000905716264 620020021 /nfs/dbraw/zinc/02/00/21/620020021.db2.gz QTAWUOAGAXHTGL-OAHLLOKOSA-N 0 0 322.412 3.054 20 10 DGCDRN Cc1cccc(N(CC(C)(C)C)C(=O)/C=C/c2cn(C)cn2)n1 ZINC000905878450 620040154 /nfs/dbraw/zinc/04/01/54/620040154.db2.gz JCEXYCMANFYUML-MDZDMXLPSA-N 0 0 312.417 3.216 20 10 DGCDRN C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[C@H]1CCCO1 ZINC000905960523 620047546 /nfs/dbraw/zinc/04/75/46/620047546.db2.gz YWDQCKIZQFPJNO-KBXCAEBGSA-N 0 0 316.445 3.059 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=S)NC1(C)CC1 ZINC000789195876 625397555 /nfs/dbraw/zinc/39/75/55/625397555.db2.gz KQMOXQWEJZIAIR-UHFFFAOYSA-N 0 0 305.491 3.390 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)[C@@H]1CCCO1 ZINC000908044362 620187834 /nfs/dbraw/zinc/18/78/34/620187834.db2.gz AWKFVQRVBHVIDV-YOEHRIQHSA-N 0 0 305.418 3.336 20 10 DGCDRN Cc1cc(C(=O)N(C)c2nccn2C)c(C)n1-c1ccccc1C ZINC000788201549 620317808 /nfs/dbraw/zinc/31/78/08/620317808.db2.gz QQQBTQHGQYLKDN-UHFFFAOYSA-N 0 0 322.412 3.413 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000910950298 620318573 /nfs/dbraw/zinc/31/85/73/620318573.db2.gz VXRATIOQOROMNZ-HZSPNIEDSA-N 0 0 303.402 3.321 20 10 DGCDRN C[C@@]1(C(=O)NCc2ccc(O)cc2O)CCCc2ccccc21 ZINC000910954743 620318654 /nfs/dbraw/zinc/31/86/54/620318654.db2.gz MJKMUHNKKBKSFF-LJQANCHMSA-N 0 0 311.381 3.008 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1cc(C2CC2)[nH]c1C1CC1 ZINC000910956593 620318812 /nfs/dbraw/zinc/31/88/12/620318812.db2.gz KVHBVYHZHHUFFT-UHFFFAOYSA-N 0 0 312.369 3.111 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000910944678 620319511 /nfs/dbraw/zinc/31/95/11/620319511.db2.gz WYXCMCPSQKTIHL-VXGBXAGGSA-N 0 0 317.307 3.083 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000910946368 620319826 /nfs/dbraw/zinc/31/98/26/620319826.db2.gz NHZJORZRPPNYEQ-DAXOMENPSA-N 0 0 303.402 3.321 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)N[C@H](C)c2cccs2)cc1 ZINC000150733046 620388329 /nfs/dbraw/zinc/38/83/29/620388329.db2.gz XTWHNFRCDWIDTN-CYBMUJFWSA-N 0 0 318.442 3.460 20 10 DGCDRN Cc1ccccc1C1=NO[C@@H](C(=O)N[C@@H](C)c2ccccc2O)C1 ZINC000913763970 620477980 /nfs/dbraw/zinc/47/79/80/620477980.db2.gz XJDUQKQHVPHYHK-SCLBCKFNSA-N 0 0 324.380 3.071 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)O[C@H]1CCOC1 ZINC000913868845 620488235 /nfs/dbraw/zinc/48/82/35/620488235.db2.gz WGVIADHIRFQILY-KRWDZBQOSA-N 0 0 318.417 3.034 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCC1CCC1 ZINC000152051232 620489763 /nfs/dbraw/zinc/48/97/63/620489763.db2.gz DQXVPTQDYXPDID-UHFFFAOYSA-N 0 0 303.450 3.474 20 10 DGCDRN Nc1ccc(CCNC(=O)c2ccccc2OC2CCC2)cc1 ZINC000152489140 620509439 /nfs/dbraw/zinc/50/94/39/620509439.db2.gz SELUWPPLDIXAPI-UHFFFAOYSA-N 0 0 310.397 3.173 20 10 DGCDRN O=C(O[C@@H]1CCOC1)N(Cc1ccccc1O)C1CCCC1 ZINC000914156784 620509525 /nfs/dbraw/zinc/50/95/25/620509525.db2.gz HGMGLNFPDQJALQ-OAHLLOKOSA-N 0 0 305.374 3.062 20 10 DGCDRN COc1ccccc1NC[C@@H](O)COc1ccccc1Cl ZINC000032208729 620557145 /nfs/dbraw/zinc/55/71/45/620557145.db2.gz DRSJHELMRNDAIV-GFCCVEGCSA-N 0 0 307.777 3.200 20 10 DGCDRN Cc1nc(NCc2ccc(N(C)C)cc2)cc(C(F)(F)F)n1 ZINC000914863493 620558114 /nfs/dbraw/zinc/55/81/14/620558114.db2.gz YFKHSYIDEPALHL-UHFFFAOYSA-N 0 0 310.323 3.482 20 10 DGCDRN Cc1ccc(O)c(C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000915083701 620567103 /nfs/dbraw/zinc/56/71/03/620567103.db2.gz DVYVUIZIPDDTAB-UHFFFAOYSA-N 0 0 310.397 3.231 20 10 DGCDRN O=C(NCCC1(c2ccccc2)CC1)NCc1ccccc1O ZINC000915516618 620588632 /nfs/dbraw/zinc/58/86/32/620588632.db2.gz BKDSZBZRXDCWCD-UHFFFAOYSA-N 0 0 310.397 3.313 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CC(F)(F)C(F)F)cc1 ZINC000888283189 620600854 /nfs/dbraw/zinc/60/08/54/620600854.db2.gz JTEKOUBMENQXDQ-UHFFFAOYSA-N 0 0 320.330 3.440 20 10 DGCDRN CN(C)c1ccc(CN2CCOC[C@@H]2c2cccc(F)c2)cc1 ZINC000852549850 620628776 /nfs/dbraw/zinc/62/87/76/620628776.db2.gz PVAKEDMISWHITF-LJQANCHMSA-N 0 0 314.404 3.465 20 10 DGCDRN C/C(=C\C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C1CC1 ZINC000920881630 620826621 /nfs/dbraw/zinc/82/66/21/620826621.db2.gz JBLAZTJAUYJEPY-SZGUKTLCSA-N 0 0 314.429 3.057 20 10 DGCDRN CCC/C=C\C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000920887997 620827052 /nfs/dbraw/zinc/82/70/52/620827052.db2.gz JGTJNOHXUFRFTK-IYKSTZQJSA-N 0 0 302.418 3.057 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC(C)(C)c2ccccc2)cc1 ZINC000921200387 620841414 /nfs/dbraw/zinc/84/14/14/620841414.db2.gz YBMGFWQXHDHIIV-UHFFFAOYSA-N 0 0 311.429 3.487 20 10 DGCDRN CSC(C)(C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000854947547 620856243 /nfs/dbraw/zinc/85/62/43/620856243.db2.gz AKYHNFDORDOXGJ-CYBMUJFWSA-N 0 0 308.491 3.250 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000854949827 620856776 /nfs/dbraw/zinc/85/67/76/620856776.db2.gz XKQFOKPLBZONHJ-QMCVQRASSA-N 0 0 300.446 3.154 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CCC3(C)C)C2)cc1 ZINC000854980752 620859526 /nfs/dbraw/zinc/85/95/26/620859526.db2.gz GLUCSWDBFSUIRS-YOEHRIQHSA-N 0 0 316.445 3.074 20 10 DGCDRN CO[C@@H](C(=O)NCc1cc(Cl)ccc1O)C1CCCCC1 ZINC000855023205 620863377 /nfs/dbraw/zinc/86/33/77/620863377.db2.gz UVXKFLGGOCBVAZ-OAHLLOKOSA-N 0 0 311.809 3.257 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)CC(C)(C)C3CC3)C2)cc1 ZINC000855225323 620881879 /nfs/dbraw/zinc/88/18/79/620881879.db2.gz JXJHKVIVSNIXTC-OAHLLOKOSA-N 0 0 316.445 3.216 20 10 DGCDRN CCCC[C@@](C)(F)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855226885 620881946 /nfs/dbraw/zinc/88/19/46/620881946.db2.gz VGFFYITWQZKOCE-KBXCAEBGSA-N 0 0 322.424 3.309 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)[C@H]3CC[C@H](C)CC3)C2)cc1 ZINC000855226359 620881952 /nfs/dbraw/zinc/88/19/52/620881952.db2.gz RLYNJQWQTBCKSR-JYJNAYRXSA-N 0 0 316.445 3.216 20 10 DGCDRN CCC(CC)[C@H](C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855233537 620882467 /nfs/dbraw/zinc/88/24/67/620882467.db2.gz IFBSXNPLTQTJNP-HOCLYGCPSA-N 0 0 318.461 3.462 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)CC3(C)CCCC3)C2)cc1 ZINC000855226989 620882495 /nfs/dbraw/zinc/88/24/95/620882495.db2.gz SDBCHHALIPNXSC-OAHLLOKOSA-N 0 0 316.445 3.361 20 10 DGCDRN C[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccco1 ZINC000840763883 620883306 /nfs/dbraw/zinc/88/33/06/620883306.db2.gz ZUMXVMGYDANNTM-LBPRGKRZSA-N 0 0 322.355 3.245 20 10 DGCDRN COC(=O)[C@@H](N[C@@H](C)c1cc(OC)ccc1O)c1ccsc1 ZINC000789301080 625450376 /nfs/dbraw/zinc/45/03/76/625450376.db2.gz XQTAFSJHNASZMO-BONVTDFDSA-N 0 0 321.398 3.027 20 10 DGCDRN O=C(NCCCc1cccs1)NCc1c(O)cccc1F ZINC000921749328 620944488 /nfs/dbraw/zinc/94/44/88/620944488.db2.gz FKNSWLDYALGIOB-UHFFFAOYSA-N 0 0 308.378 3.025 20 10 DGCDRN CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2=CC(=O)CS2)C12CCC2 ZINC000855922785 620948865 /nfs/dbraw/zinc/94/88/65/620948865.db2.gz RDQZIIKQPUVLOY-QWHCGFSZSA-N 0 0 309.431 3.310 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC2(COC2)C1 ZINC000856194833 620970924 /nfs/dbraw/zinc/97/09/24/620970924.db2.gz XACFFHJINHASFZ-UHFFFAOYSA-N 0 0 324.424 3.265 20 10 DGCDRN Fc1cnc(Cl)c(CNCc2ccc3c(c2)CCCO3)c1 ZINC000922151481 620996153 /nfs/dbraw/zinc/99/61/53/620996153.db2.gz LKJJUHPOQQIOSI-UHFFFAOYSA-N 0 0 306.768 3.489 20 10 DGCDRN Cc1ccccc1OCC(=O)NCCCSc1nccs1 ZINC000114375772 621003239 /nfs/dbraw/zinc/00/32/39/621003239.db2.gz PTYKFKOSJVTVRL-UHFFFAOYSA-N 0 0 322.455 3.129 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2ccc(F)cc2Cl)c1 ZINC000114543244 621009049 /nfs/dbraw/zinc/00/90/49/621009049.db2.gz MQUYDYAFIKFCDE-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN COc1ccc(O)c(CNC(=O)CCc2ccccc2Cl)c1 ZINC000114541161 621009229 /nfs/dbraw/zinc/00/92/29/621009229.db2.gz RWKKXEVQWNKDCI-UHFFFAOYSA-N 0 0 319.788 3.303 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2cc3ccc(C)cc3[nH]2)c1 ZINC000114544155 621009781 /nfs/dbraw/zinc/00/97/81/621009781.db2.gz GAEAVARPXIRXRF-UHFFFAOYSA-N 0 0 310.353 3.121 20 10 DGCDRN Cc1cc(C(=O)NCC[C@H]2CC2(F)F)c(C)n1-c1ccccn1 ZINC000857350893 621081838 /nfs/dbraw/zinc/08/18/38/621081838.db2.gz WNKXHODHDQDUNK-ZDUSSCGKSA-N 0 0 319.355 3.264 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CCc1ccsc1 ZINC000115280354 621092863 /nfs/dbraw/zinc/09/28/63/621092863.db2.gz NFFXNQFSSRIZBK-UHFFFAOYSA-N 0 0 302.443 3.372 20 10 DGCDRN Cc1noc(C)c1[C@H](C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000115281318 621094347 /nfs/dbraw/zinc/09/43/47/621094347.db2.gz AAOZEVKXXHMBLV-LBPRGKRZSA-N 0 0 315.417 3.086 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Cc1ccccc1F ZINC000115281217 621094352 /nfs/dbraw/zinc/09/43/52/621094352.db2.gz ULXQJXGDUBCQEM-UHFFFAOYSA-N 0 0 300.377 3.059 20 10 DGCDRN CCN(C[C@@H](O)C1CCCCC1)c1ccc(OC)c(OC)c1 ZINC000789340692 625463874 /nfs/dbraw/zinc/46/38/74/625463874.db2.gz CJPPMYFGFQXSNA-MRXNPFEDSA-N 0 0 307.434 3.471 20 10 DGCDRN CCC[C@H](O)CC[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000922820945 621105062 /nfs/dbraw/zinc/10/50/62/621105062.db2.gz MTEQDXSMOFIBEL-LBPRGKRZSA-N 0 0 316.239 3.104 20 10 DGCDRN C[C@@H](N[C@@H]1c2ccccc2CN(C)C1=O)c1ccc(N(C)C)cc1 ZINC000857874302 621126434 /nfs/dbraw/zinc/12/64/34/621126434.db2.gz OECSNBHJEDJCEJ-AUUYWEPGSA-N 0 0 323.440 3.117 20 10 DGCDRN C[C@H](N[C@H]1c2ccccc2CN(C)C1=O)c1ccc(N(C)C)cc1 ZINC000857874309 621126719 /nfs/dbraw/zinc/12/67/19/621126719.db2.gz OECSNBHJEDJCEJ-LIRRHRJNSA-N 0 0 323.440 3.117 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1Cc2ccccc2N(C)C(=O)C1 ZINC000857879569 621127440 /nfs/dbraw/zinc/12/74/40/621127440.db2.gz JBRLBRSHBIWVQH-UHFFFAOYSA-N 0 0 323.440 3.040 20 10 DGCDRN COc1ccc(O)c(CNC(=O)C[C@@H]2CCc3ccccc32)c1 ZINC000115713225 621128836 /nfs/dbraw/zinc/12/88/36/621128836.db2.gz QXAXFPORTAWDCW-AWEZNQCLSA-N 0 0 311.381 3.137 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)c1cccnc1 ZINC000115787485 621143238 /nfs/dbraw/zinc/14/32/38/621143238.db2.gz CHOIJUMTZZWVAH-AWEZNQCLSA-N 0 0 312.417 3.016 20 10 DGCDRN COc1ccc(CNCc2cc(F)c(N(C)C)cc2F)cc1F ZINC000858092020 621151514 /nfs/dbraw/zinc/15/15/14/621151514.db2.gz LVLVVQQCHRKIAM-UHFFFAOYSA-N 0 0 324.346 3.468 20 10 DGCDRN C[C@H]1C[C@H](NCc2cc(F)c(N(C)C)cc2F)c2nccn21 ZINC000858171764 621161205 /nfs/dbraw/zinc/16/12/05/621161205.db2.gz CQDCJOPLTZEZDX-HZMBPMFUSA-N 0 0 306.360 3.023 20 10 DGCDRN CCn1cc([C@@H](C)NCc2cc(F)c(N(C)C)cc2F)cn1 ZINC000858173920 621161581 /nfs/dbraw/zinc/16/15/81/621161581.db2.gz JKUBQMHOKWNGAW-LLVKDONJSA-N 0 0 308.376 3.098 20 10 DGCDRN CC[C@@H](C)C[C@H](CO)[NH2+]Cc1c(O)cccc1Br ZINC000858182572 621162058 /nfs/dbraw/zinc/16/20/58/621162058.db2.gz ZCQLCTUCPLVORS-GHMZBOCLSA-N 0 0 316.239 3.041 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2c3ccccc3C[C@@H]2C)c1 ZINC000858212509 621165001 /nfs/dbraw/zinc/16/50/01/621165001.db2.gz VKFDKHULNCAQSE-UGSOOPFHSA-N 0 0 310.397 3.433 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCCC2Cc3ccccc3C2)c1 ZINC000858322438 621175787 /nfs/dbraw/zinc/17/57/87/621175787.db2.gz YTEQEAXWEURXPZ-UHFFFAOYSA-N 0 0 324.424 3.305 20 10 DGCDRN Cc1csc([C@@H](C)CNC(=O)NCc2cc(C)ccc2O)n1 ZINC000858358344 621180257 /nfs/dbraw/zinc/18/02/57/621180257.db2.gz JIYCKIZVBFOEEI-NSHDSACASA-N 0 0 319.430 3.068 20 10 DGCDRN CN(C[C@H](O)Cc1ccc(C(F)(F)F)cc1)c1ccc(N)cc1 ZINC000923401574 621181600 /nfs/dbraw/zinc/18/16/00/621181600.db2.gz WPZFNRVFQPQZKB-MRXNPFEDSA-N 0 0 324.346 3.327 20 10 DGCDRN CCC[C@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)OCC ZINC000858368913 621181874 /nfs/dbraw/zinc/18/18/74/621181874.db2.gz PJAHNARWBGURRE-WMLDXEAASA-N 0 0 321.465 3.318 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCCO[C@H]2CC(C)C)c1 ZINC000858373121 621182257 /nfs/dbraw/zinc/18/22/57/621182257.db2.gz YSVLIROVKIFPOJ-WBVHZDCISA-N 0 0 320.433 3.094 20 10 DGCDRN CC1CCN(c2ccc(CNc3nccnc3F)cc2)CC1 ZINC000858403279 621186396 /nfs/dbraw/zinc/18/63/96/621186396.db2.gz ZWUJBSKEAOUCJR-UHFFFAOYSA-N 0 0 300.381 3.464 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCCC2C[C@H](C)O[C@@H](C)C2)c1 ZINC000858432836 621190494 /nfs/dbraw/zinc/19/04/94/621190494.db2.gz NAYWEBWSNOBOSW-KBPBESRZSA-N 0 0 320.433 3.094 20 10 DGCDRN CCn1ncc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)n1 ZINC000858443922 621191631 /nfs/dbraw/zinc/19/16/31/621191631.db2.gz QCUCWKOPPRWMFO-HNNXBMFYSA-N 0 0 313.449 3.139 20 10 DGCDRN C[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000858449463 621192588 /nfs/dbraw/zinc/19/25/88/621192588.db2.gz MAJBGEIVWIKEMN-ZANVPECISA-N 0 0 317.286 3.182 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(C)c(C)n2)c1 ZINC000840784004 621199010 /nfs/dbraw/zinc/19/90/10/621199010.db2.gz OLFZFCFIYHWRMH-ZDUSSCGKSA-N 0 0 314.385 3.041 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@@]2(C)CC=CCC2)cc1F ZINC000838027862 621202823 /nfs/dbraw/zinc/20/28/23/621202823.db2.gz AFKQRWJUOGAGNQ-KRWDZBQOSA-N 0 0 305.397 3.190 20 10 DGCDRN CN1CCCc2cc(CNC(=O)NC3(C4(C)CC4)CC3)ccc21 ZINC000838031479 621203404 /nfs/dbraw/zinc/20/34/04/621203404.db2.gz IVYXAKNJFNLDOD-UHFFFAOYSA-N 0 0 313.445 3.201 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCC[C@@]2(C)C[C@]2(F)Cl)c1 ZINC000858584322 621207151 /nfs/dbraw/zinc/20/71/51/621207151.db2.gz RIYGLJKAISVMGD-LSDHHAIUSA-N 0 0 314.788 3.205 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@@H]1CCCc2c(F)cccc21 ZINC000838062304 621207795 /nfs/dbraw/zinc/20/77/95/621207795.db2.gz SDRPRKMWSYBXHA-MRXNPFEDSA-N 0 0 314.360 3.408 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1cccc(C)c1 ZINC000808093712 621217067 /nfs/dbraw/zinc/21/70/67/621217067.db2.gz VAXQCTOKYWLMNQ-UHFFFAOYSA-N 0 0 304.386 3.045 20 10 DGCDRN CCC[C@@H](OCC)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000858825950 621223319 /nfs/dbraw/zinc/22/33/19/621223319.db2.gz AYFBFQUCSIPLGM-QGZVFWFLSA-N 0 0 306.450 3.306 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NC[C@]2(C)C[C@H]3C[C@H]3C2)cc1 ZINC000858892558 621228920 /nfs/dbraw/zinc/22/89/20/621228920.db2.gz ZXVQBBPKKOKDML-HGKCTWBKSA-N 0 0 315.461 3.330 20 10 DGCDRN CCC(O)(CC)CCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000788104980 621253272 /nfs/dbraw/zinc/25/32/72/621253272.db2.gz CAZGMABSWJCSBF-CQSZACIVSA-N 0 0 321.465 3.054 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@H](C)CCC=C(C)C)c1 ZINC000838474259 621257923 /nfs/dbraw/zinc/25/79/23/621257923.db2.gz HYVQMWOVAJYVKH-CYBMUJFWSA-N 0 0 306.406 3.335 20 10 DGCDRN CCC[C@@H](NC(=O)NCc1cc(OC)ccc1O)C(C)(C)C ZINC000838474998 621258464 /nfs/dbraw/zinc/25/84/64/621258464.db2.gz VUUUKXQWZIMQHX-OAHLLOKOSA-N 0 0 308.422 3.415 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)OCCC(C)C)C2)cc1 ZINC000859217548 621261781 /nfs/dbraw/zinc/26/17/81/621261781.db2.gz NQPVIEZWZZIVET-AWEZNQCLSA-N 0 0 306.406 3.046 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCc1coc(CC)n1 ZINC000838696677 621270209 /nfs/dbraw/zinc/27/02/09/621270209.db2.gz WLEMNMLSPCRSSK-UHFFFAOYSA-N 0 0 317.389 3.064 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2C[C@]2(C)C(C)C)c1 ZINC000838766092 621276393 /nfs/dbraw/zinc/27/63/93/621276393.db2.gz STCYJQAWGIEFES-XNJJOIOASA-N 0 0 306.406 3.196 20 10 DGCDRN COc1ccc(N2CCN(C[C@@H]3CC3(Cl)Cl)CC2)cc1 ZINC000838900924 621301475 /nfs/dbraw/zinc/30/14/75/621301475.db2.gz QTRDVLCVKFTQET-LBPRGKRZSA-N 0 0 315.244 3.011 20 10 DGCDRN COCCCCCOC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000116990809 621332813 /nfs/dbraw/zinc/33/28/13/621332813.db2.gz BIFPGCSFTQRFJO-UHFFFAOYSA-N 0 0 316.401 3.463 20 10 DGCDRN Cc1ncc(CNCc2ccc(N(C)C)cc2C(F)(F)F)o1 ZINC000839170620 621342031 /nfs/dbraw/zinc/34/20/31/621342031.db2.gz PSYPMJDINFISCJ-UHFFFAOYSA-N 0 0 313.323 3.358 20 10 DGCDRN COc1ccnc(CN[C@H](C)c2ccc(N(C)C)cc2)c1OC ZINC000789385702 625482223 /nfs/dbraw/zinc/48/22/23/625482223.db2.gz DYYHUESWYXVMAD-CYBMUJFWSA-N 0 0 315.417 3.016 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@H](C)C(F)(F)F)c1 ZINC000860242080 621385706 /nfs/dbraw/zinc/38/57/06/621385706.db2.gz OWMLQHKWIVYRCB-DTWKUNHWSA-N 0 0 305.296 3.167 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)OC[C@@H]2CCCO2)cc1 ZINC000804945112 621390103 /nfs/dbraw/zinc/39/01/03/621390103.db2.gz QGBZGHPWNQZTLU-KRWDZBQOSA-N 0 0 320.433 3.280 20 10 DGCDRN O=C(OC[C@H]1CCCO1)N(Cc1ccccc1O)C1CCCC1 ZINC000805010853 621393350 /nfs/dbraw/zinc/39/33/50/621393350.db2.gz NKRMZSJJCACFDH-MRXNPFEDSA-N 0 0 319.401 3.452 20 10 DGCDRN CS[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)C(C)(C)C ZINC000752879345 621414049 /nfs/dbraw/zinc/41/40/49/621414049.db2.gz XRJNPDHHMUWICK-IQCBXXCUSA-N 0 0 309.431 3.005 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC=CCC2)c1 ZINC000860646335 621427845 /nfs/dbraw/zinc/42/78/45/621427845.db2.gz FWRQPQXLUKXAES-UHFFFAOYSA-N 0 0 308.381 3.309 20 10 DGCDRN CN1CCCc2cc(CNC(=O)NC34CCC(CC3)C4)ccc21 ZINC000753146834 621428090 /nfs/dbraw/zinc/42/80/90/621428090.db2.gz CLXLWHHQKHNTKF-UHFFFAOYSA-N 0 0 313.445 3.201 20 10 DGCDRN C[C@H](NC(=O)N1CC(C)(C)OC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000753202914 621430814 /nfs/dbraw/zinc/43/08/14/621430814.db2.gz HDMGRTOXEFNQRH-KBPBESRZSA-N 0 0 319.449 3.023 20 10 DGCDRN CCc1nc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)co1 ZINC000753486719 621442677 /nfs/dbraw/zinc/44/26/77/621442677.db2.gz IZWOBAKOPHYLAW-UHFFFAOYSA-N 0 0 313.401 3.108 20 10 DGCDRN CC(C(=O)N1CCOc2cc(N(C)C)ccc21)=C1CCCC1 ZINC000753625159 621455800 /nfs/dbraw/zinc/45/58/00/621455800.db2.gz LCKFPBNFOHOXAV-UHFFFAOYSA-N 0 0 300.402 3.369 20 10 DGCDRN CC(C)=C[C@@H]1[C@H](C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)C1(C)C ZINC000753639995 621457099 /nfs/dbraw/zinc/45/70/99/621457099.db2.gz FQNAUTMKTZBKQV-SUYBPPKGSA-N 0 0 317.429 3.383 20 10 DGCDRN C[C@H](NC(=O)c1nn(C)c2ccccc12)c1ccc(N(C)C)cc1 ZINC000860950331 621461345 /nfs/dbraw/zinc/46/13/45/621461345.db2.gz MAPHFJHBGYYVEE-ZDUSSCGKSA-N 0 0 322.412 3.130 20 10 DGCDRN COc1cccc(CNc2nc(C)cc(C(F)(F)F)n2)c1O ZINC000754031003 621480993 /nfs/dbraw/zinc/48/09/93/621480993.db2.gz QRPWYQMVYPLSNS-UHFFFAOYSA-N 0 0 313.279 3.130 20 10 DGCDRN C[C@H]1COC(C)(C)CN1Cc1cc(Br)ccc1O ZINC000754156326 621492212 /nfs/dbraw/zinc/49/22/12/621492212.db2.gz PUKXWTWSGNUKRL-JTQLQIEISA-N 0 0 314.223 3.154 20 10 DGCDRN Cc1ccc(/C=C\C(=O)N2CCOc3ccc(Cl)cc32)cn1 ZINC000754322069 621503087 /nfs/dbraw/zinc/50/30/87/621503087.db2.gz WVPGPIYDVGPNIO-DAXSKMNVSA-N 0 0 314.772 3.482 20 10 DGCDRN COC1(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCCC1 ZINC000754527385 621515432 /nfs/dbraw/zinc/51/54/32/621515432.db2.gz MWFSVIMFPLSATC-UHFFFAOYSA-N 0 0 316.445 3.203 20 10 DGCDRN CN(C)c1ccc(CNc2ncnc3[nH]c(Cl)cc32)cc1 ZINC000754670095 621523630 /nfs/dbraw/zinc/52/36/30/621523630.db2.gz ICWLGCAEGCITKT-UHFFFAOYSA-N 0 0 301.781 3.289 20 10 DGCDRN CCc1ccccc1NC(=S)NCc1cccc(N(C)C)n1 ZINC000754693724 621524860 /nfs/dbraw/zinc/52/48/60/621524860.db2.gz VWNFBLXGCINZCT-UHFFFAOYSA-N 0 0 314.458 3.197 20 10 DGCDRN CCO[C@@H](C)c1noc(CN(C)Cc2cc(C)cc(C)c2O)n1 ZINC000754742167 621530012 /nfs/dbraw/zinc/53/00/12/621530012.db2.gz RBQGHLIKPJMBOW-ZDUSSCGKSA-N 0 0 319.405 3.122 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCS[C@@H](C)[C@@H]1C ZINC000118581815 621539666 /nfs/dbraw/zinc/53/96/66/621539666.db2.gz QUOVEJMMOPHHDO-KBPBESRZSA-N 0 0 321.490 3.096 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1C[C@@H](C)[C@H]1C ZINC000861836963 621540009 /nfs/dbraw/zinc/54/00/09/621540009.db2.gz NOTQFGLFESJLDC-TZMCWYRMSA-N 0 0 310.397 3.387 20 10 DGCDRN CC[C@H](CC(F)F)C(=O)NCc1ccc2cccnc2c1O ZINC000862025443 621551168 /nfs/dbraw/zinc/55/11/68/621551168.db2.gz UKYUWMNRERTTPK-SNVBAGLBSA-N 0 0 308.328 3.238 20 10 DGCDRN CS[C@@H](C)CCC(=O)NCc1ccc2cccnc2c1O ZINC000862027481 621551212 /nfs/dbraw/zinc/55/12/12/621551212.db2.gz UHMSFWUAELNQIY-NSHDSACASA-N 0 0 304.415 3.088 20 10 DGCDRN CCO[C@@H](CC(=O)NCc1ccc2cccnc2c1O)C(C)C ZINC000862027227 621551242 /nfs/dbraw/zinc/55/12/42/621551242.db2.gz NKTWCGCDOSJNMK-HNNXBMFYSA-N 0 0 316.401 3.008 20 10 DGCDRN Cc1cc(CCNC(=O)c2cnc(C)[nH]2)c(C)n1-c1ccccc1 ZINC000755259472 621561673 /nfs/dbraw/zinc/56/16/73/621561673.db2.gz WSFLJGVRHZETRZ-UHFFFAOYSA-N 0 0 322.412 3.098 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)C1CCOCC1 ZINC000755698581 621586419 /nfs/dbraw/zinc/58/64/19/621586419.db2.gz GWURUTVHEDNFEL-OAHLLOKOSA-N 0 0 318.461 3.164 20 10 DGCDRN O=C(N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12)C1=CC(=O)CS1 ZINC000862530757 621597356 /nfs/dbraw/zinc/59/73/56/621597356.db2.gz SJAGVMVKZUSPOL-IACUBPJLSA-N 0 0 305.786 3.175 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)c2cnn(C)c2)cc1 ZINC000119054925 621612368 /nfs/dbraw/zinc/61/23/68/621612368.db2.gz KYLWVHRXNVAOAD-OAHLLOKOSA-N 0 0 322.412 3.319 20 10 DGCDRN Cc1ccc(CO[C@@H](C)C(=O)NCc2cc(C)ccc2O)cc1 ZINC000862754134 621613119 /nfs/dbraw/zinc/61/31/19/621613119.db2.gz RZKCSNOTRKNGQJ-HNNXBMFYSA-N 0 0 313.397 3.231 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CC[C@@H]2CC2(Cl)Cl)c1 ZINC000862753026 621613139 /nfs/dbraw/zinc/61/31/39/621613139.db2.gz ACMFGUHXTSVWHY-LLVKDONJSA-N 0 0 302.201 3.291 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CC[C@H]2CC2(Cl)Cl)c1 ZINC000862753027 621613210 /nfs/dbraw/zinc/61/32/10/621613210.db2.gz ACMFGUHXTSVWHY-NSHDSACASA-N 0 0 302.201 3.291 20 10 DGCDRN CC[C@@H]1CCCC[C@@H]1OCC(=O)NCc1cc(C)ccc1O ZINC000862757294 621613734 /nfs/dbraw/zinc/61/37/34/621613734.db2.gz OGDJOVJCEUAWAT-PBHICJAKSA-N 0 0 305.418 3.302 20 10 DGCDRN COc1ccc2c(c1)[C@@H](C(=O)NCc1cc(C)ccc1O)CC2 ZINC000862757568 621614286 /nfs/dbraw/zinc/61/42/86/621614286.db2.gz YUOFVYUJMVCRLQ-INIZCTEOSA-N 0 0 311.381 3.055 20 10 DGCDRN CCOc1ccc(CCC(=O)NCc2cc(C)ccc2O)cc1 ZINC000862758835 621614416 /nfs/dbraw/zinc/61/44/16/621614416.db2.gz NIOIFLYDLNXQPT-UHFFFAOYSA-N 0 0 313.397 3.348 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)c1 ZINC000862760343 621614662 /nfs/dbraw/zinc/61/46/62/621614662.db2.gz QMGXCSJJXDJZBM-ZFWWWQNUSA-N 0 0 317.335 3.399 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)c1 ZINC000862760477 621614721 /nfs/dbraw/zinc/61/47/21/621614721.db2.gz RSTBTYUVQUSGDF-CHWSQXEVSA-N 0 0 317.335 3.399 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CCCc2nc3ccccc3[nH]2)c1 ZINC000862760800 621614822 /nfs/dbraw/zinc/61/48/22/621614822.db2.gz WISHBSFVXWVOEZ-UHFFFAOYSA-N 0 0 323.396 3.216 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)CC2(C)COC2)cc1 ZINC000862761666 621614842 /nfs/dbraw/zinc/61/48/42/621614842.db2.gz HGATZOWUXBUHGJ-UHFFFAOYSA-N 0 0 312.413 3.203 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[C@H]2C)cc1F ZINC000805094030 621615297 /nfs/dbraw/zinc/61/52/97/621615297.db2.gz GKAAJAYKXUDWDG-IUODEOHRSA-N 0 0 307.413 3.270 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1COc2ccccc2O1)c1cc(F)cc(F)c1[O-] ZINC000756352493 621630145 /nfs/dbraw/zinc/63/01/45/621630145.db2.gz TYYXZCAGDJMADZ-JQWIXIFHSA-N 0 0 321.323 3.161 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCc2ccccc2F)c1 ZINC000756356391 621630603 /nfs/dbraw/zinc/63/06/03/621630603.db2.gz BERUJUSQDMEBNN-GFCCVEGCSA-N 0 0 317.360 3.211 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)CCc2ccco2)c1 ZINC000756357803 621631128 /nfs/dbraw/zinc/63/11/28/621631128.db2.gz PSFBNMXPKQVUFJ-QWHCGFSZSA-N 0 0 317.385 3.444 20 10 DGCDRN C[C@H]([NH2+]CCN(C)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756381974 621633445 /nfs/dbraw/zinc/63/34/45/621633445.db2.gz PNBVFKKUXZIPEE-ZDUSSCGKSA-N 0 0 315.373 3.087 20 10 DGCDRN C[C@H]([NH2+]CCOc1cccc(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756447402 621639046 /nfs/dbraw/zinc/63/90/46/621639046.db2.gz VWQWAZQBOVVNNK-NSHDSACASA-N 0 0 320.320 3.169 20 10 DGCDRN C[C@H]([NH2+][C@@H]1COc2ccccc2C1)c1cc(F)cc(F)c1[O-] ZINC000756494842 621642135 /nfs/dbraw/zinc/64/21/35/621642135.db2.gz OLZTTZMUSCQSBH-GWCFXTLKSA-N 0 0 305.324 3.325 20 10 DGCDRN C[C@H]([NH2+]C[C@H](C)N1CCC(C)CC1)c1cc(F)cc(F)c1[O-] ZINC000756504030 621643064 /nfs/dbraw/zinc/64/30/64/621643064.db2.gz OPZGFTBMIGOZHY-STQMWFEESA-N 0 0 312.404 3.441 20 10 DGCDRN Cc1cc(CNC(=O)[C@@H]2CCC(=O)C2)c(C)n1-c1ccccc1 ZINC000863163894 621644133 /nfs/dbraw/zinc/64/41/33/621644133.db2.gz SLSVEIPPRGNESS-OAHLLOKOSA-N 0 0 310.397 3.080 20 10 DGCDRN CC[C@H](OC)C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000863165184 621644686 /nfs/dbraw/zinc/64/46/86/621644686.db2.gz MOJISLXNMQDGSX-KRWDZBQOSA-N 0 0 300.402 3.135 20 10 DGCDRN COc1ccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cc1O ZINC000756523246 621644953 /nfs/dbraw/zinc/64/49/53/621644953.db2.gz BFYXUBLFGULZKD-VIFPVBQESA-N 0 0 309.312 3.235 20 10 DGCDRN Cc1ccn2cc(C[NH2+][C@@H](C)c3cc(F)cc(F)c3[O-])nc2c1 ZINC000756533443 621645405 /nfs/dbraw/zinc/64/54/05/621645405.db2.gz HQJWTJKPMGHDDF-NSHDSACASA-N 0 0 317.339 3.477 20 10 DGCDRN COCC[C@H](C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756528746 621645439 /nfs/dbraw/zinc/64/54/39/621645439.db2.gz WOVKGYLXFVFGGF-IUCAKERBSA-N 0 0 320.202 3.369 20 10 DGCDRN C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc(F)cc(F)c1[O-] ZINC000756536937 621645938 /nfs/dbraw/zinc/64/59/38/621645938.db2.gz XINVFMYAPQVYJR-SNVBAGLBSA-N 0 0 322.311 3.472 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2Cc3ccccc32)c1 ZINC000756535848 621646015 /nfs/dbraw/zinc/64/60/15/621646015.db2.gz RUDPWPCKIPNHIK-WFASDCNBSA-N 0 0 311.381 3.169 20 10 DGCDRN CCc1nc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cs1 ZINC000756555650 621647585 /nfs/dbraw/zinc/64/75/85/621647585.db2.gz UHCZRVOFTGVIIL-SECBINFHSA-N 0 0 307.375 3.170 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)c2c(C)noc2C)c1 ZINC000756576267 621650889 /nfs/dbraw/zinc/65/08/89/621650889.db2.gz ZBFCJGRSNYNDEM-UWVGGRQHSA-N 0 0 318.373 3.195 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)c1 ZINC000756601835 621652209 /nfs/dbraw/zinc/65/22/09/621652209.db2.gz BKEBAQVEWHUBEJ-ACJLOTCBSA-N 0 0 323.433 3.017 20 10 DGCDRN C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1cc(F)cc(F)c1[O-] ZINC000756603777 621652355 /nfs/dbraw/zinc/65/23/55/621652355.db2.gz KWGWBVKZRQJPMP-PSLIRLAXSA-N 0 0 313.369 3.290 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2sc(C)nc2C)c1 ZINC000756615061 621652851 /nfs/dbraw/zinc/65/28/51/621652851.db2.gz VKWBRPJRQVMNNT-SECBINFHSA-N 0 0 320.414 3.103 20 10 DGCDRN C[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756629303 621654043 /nfs/dbraw/zinc/65/40/43/621654043.db2.gz PBYAUKYENGZZJD-LLVKDONJSA-N 0 0 324.377 3.073 20 10 DGCDRN COC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000756637809 621654709 /nfs/dbraw/zinc/65/47/09/621654709.db2.gz PJSSTSIKPQTGRW-CJNGLKHVSA-N 0 0 303.377 3.440 20 10 DGCDRN CC[C@H](O)CC[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756657657 621656560 /nfs/dbraw/zinc/65/65/60/621656560.db2.gz FAECDOMEWUBJJE-IUCAKERBSA-N 0 0 320.202 3.105 20 10 DGCDRN C[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccc(F)cc1[O-] ZINC000756660324 621657099 /nfs/dbraw/zinc/65/70/99/621657099.db2.gz VRVMJQIUZMMKKR-SECBINFHSA-N 0 0 317.286 3.141 20 10 DGCDRN C[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1cc(F)cc(F)c1[O-] ZINC000756711867 621659770 /nfs/dbraw/zinc/65/97/70/621659770.db2.gz MUBOJBPTUODVBV-VFZGTOFNSA-N 0 0 311.303 3.194 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCSC1)c1cc(Br)c(F)cc1[O-] ZINC000756734147 621661481 /nfs/dbraw/zinc/66/14/81/621661481.db2.gz UXXAKLGRPUTGIZ-YUMQZZPRSA-N 0 0 320.227 3.450 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2(C3CC3)CCC2)c1 ZINC000756767940 621663571 /nfs/dbraw/zinc/66/35/71/621663571.db2.gz HGAORPGAMNUUPY-LBPRGKRZSA-N 0 0 303.402 3.410 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccn(C)n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756777801 621663842 /nfs/dbraw/zinc/66/38/42/621663842.db2.gz LDRSVLOSMAHPFD-MRVPVSSYSA-N 0 0 300.189 3.283 20 10 DGCDRN COC(=O)c1cnc(S[C@@H]2Cc3ccccc3[C@@H]2OC)s1 ZINC000863339281 621664388 /nfs/dbraw/zinc/66/43/88/621664388.db2.gz BAXCOKWVENMYIO-YPMHNXCESA-N 0 0 321.423 3.334 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1cc(F)cc(F)c1[O-] ZINC000756787780 621664955 /nfs/dbraw/zinc/66/49/55/621664955.db2.gz RTODRVPFEFIGSK-JQWIXIFHSA-N 0 0 313.344 3.007 20 10 DGCDRN C[C@H](Nc1cccc2c1oc(=O)n2C)c1cc(F)cc(F)c1O ZINC000756857984 621668942 /nfs/dbraw/zinc/66/89/42/621668942.db2.gz ZKROGFFUKZGMPY-QMMMGPOBSA-N 0 0 320.295 3.288 20 10 DGCDRN O=C(Nc1ccc(NCc2c(O)cccc2Cl)cn1)C1CC1 ZINC000119497561 621678976 /nfs/dbraw/zinc/67/89/76/621678976.db2.gz DKDJXJFMYQUCQL-UHFFFAOYSA-N 0 0 317.776 3.401 20 10 DGCDRN CCC(=O)c1cc(C(=O)NCc2ccccc2O)ccc1F ZINC000757099992 621686534 /nfs/dbraw/zinc/68/65/34/621686534.db2.gz GPRPEAWZMWMUIE-UHFFFAOYSA-N 0 0 301.317 3.054 20 10 DGCDRN Nc1ccc(Cc2noc([C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)n2)cc1 ZINC000863655635 621694853 /nfs/dbraw/zinc/69/48/53/621694853.db2.gz HBNXKCOJWYGYMS-BPQIPLTHSA-N 0 0 303.365 3.296 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(CC(C)C)c[nH]2)c1 ZINC000839650960 621703784 /nfs/dbraw/zinc/70/37/84/621703784.db2.gz PIWPWLWYJDABLY-GFCCVEGCSA-N 0 0 316.401 3.418 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000839652033 621703848 /nfs/dbraw/zinc/70/38/48/621703848.db2.gz YMGACMFKWSEKKH-JLZZUVOBSA-N 0 0 311.381 3.382 20 10 DGCDRN COc1cc2c(c(OC)c1)N(Cc1c(C)noc1C)CCC2 ZINC000839653753 621704278 /nfs/dbraw/zinc/70/42/78/621704278.db2.gz DTPVQLDGSSUDSF-UHFFFAOYSA-N 0 0 302.374 3.261 20 10 DGCDRN O=C(NCC1(C(F)(F)F)CCCC1)c1c(F)ccc(O)c1O ZINC000863943323 621720479 /nfs/dbraw/zinc/72/04/79/621720479.db2.gz XMTDJQLENRRBHB-UHFFFAOYSA-N 0 0 321.270 3.089 20 10 DGCDRN COC(=O)c1ccc(NCc2cc(F)c(N(C)C)cc2F)cc1 ZINC000863987883 621724569 /nfs/dbraw/zinc/72/45/69/621724569.db2.gz NZNKEWWFEVDMAY-UHFFFAOYSA-N 0 0 320.339 3.430 20 10 DGCDRN Cc1cc(O)c(CNc2cc(C(N)=O)ccc2F)c(Cl)c1 ZINC000863997635 621725248 /nfs/dbraw/zinc/72/52/48/621725248.db2.gz UCLHUPSJNUUDRO-UHFFFAOYSA-N 0 0 308.740 3.204 20 10 DGCDRN CN(C)c1ccc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc1F ZINC000863989527 621725274 /nfs/dbraw/zinc/72/52/74/621725274.db2.gz RTTRIPUXORPHTH-UHFFFAOYSA-N 0 0 300.337 3.086 20 10 DGCDRN COc1ccc(O)c(CNc2cccc(N=S(C)(C)=O)c2)c1 ZINC000864015160 621727464 /nfs/dbraw/zinc/72/74/64/621727464.db2.gz HEWIYRQUQBZFJH-UHFFFAOYSA-N 0 0 320.414 3.372 20 10 DGCDRN CN1CCc2cc(NCc3c(O)cccc3Cl)ccc2C1=O ZINC000864016954 621727990 /nfs/dbraw/zinc/72/79/90/621727990.db2.gz CYQGALKCEHTJFX-UHFFFAOYSA-N 0 0 316.788 3.286 20 10 DGCDRN CCc1cccc(CNc2ccccc2SCC(N)=O)c1O ZINC000864025986 621728861 /nfs/dbraw/zinc/72/88/61/621728861.db2.gz NVZUIXHGENVZHE-UHFFFAOYSA-N 0 0 316.426 3.144 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H](C)CCCC(F)(F)F)c(O)c1O ZINC000757647086 621731056 /nfs/dbraw/zinc/73/10/56/621731056.db2.gz NVLWUHYRPCEBRJ-VIFPVBQESA-N 0 0 305.296 3.257 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)C[C@H](C)O)c1cc(Br)cc(F)c1[O-] ZINC000757659035 621732148 /nfs/dbraw/zinc/73/21/48/621732148.db2.gz XGWXQKNRNPXZSQ-XHNCKOQMSA-N 0 0 320.202 3.104 20 10 DGCDRN Cc1cc(NC(=O)NCCCSc2nccs2)ccn1 ZINC000119835625 621733592 /nfs/dbraw/zinc/73/35/92/621733592.db2.gz HICWRTYWZSMABM-UHFFFAOYSA-N 0 0 308.432 3.150 20 10 DGCDRN COc1ccc(N(C)CC(=O)c2cc(C)n(C)c2C)cc1F ZINC000757851754 621743048 /nfs/dbraw/zinc/74/30/48/621743048.db2.gz QFFLWMCDQDUDPP-UHFFFAOYSA-N 0 0 304.365 3.109 20 10 DGCDRN COc1ccc(N(C)CCc2ccc([N+](=O)[O-])cc2)cc1F ZINC000757858168 621744032 /nfs/dbraw/zinc/74/40/32/621744032.db2.gz ZSUVXBKYUZJREV-UHFFFAOYSA-N 0 0 304.321 3.421 20 10 DGCDRN C[C@H](CCCCC(=O)[O-])[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000864504738 621775115 /nfs/dbraw/zinc/77/51/15/621775115.db2.gz MLZLUFCRBUVRNR-LLVKDONJSA-N 0 0 314.376 3.154 20 10 DGCDRN CCOc1ccc(CNc2nnc(-c3ccoc3C)o2)c(O)c1 ZINC000758440138 621782271 /nfs/dbraw/zinc/78/22/71/621782271.db2.gz CCWDKUTXQLFESK-UHFFFAOYSA-N 0 0 315.329 3.354 20 10 DGCDRN O=C(OCc1cc(-c2ccccc2)no1)c1cccc(O)c1O ZINC000758546668 621787953 /nfs/dbraw/zinc/78/79/53/621787953.db2.gz HXXQIJVQMQXWST-UHFFFAOYSA-N 0 0 311.293 3.110 20 10 DGCDRN COc1ccccc1N(C)C(=O)/C=C\c1ccc(Cl)nc1 ZINC000758544346 621788140 /nfs/dbraw/zinc/78/81/40/621788140.db2.gz BEFXIAFFRBFBIB-NTMALXAHSA-N 0 0 302.761 3.420 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2nocc2C)cc1 ZINC000864634714 621794767 /nfs/dbraw/zinc/79/47/67/621794767.db2.gz ORTSQGPNLZGZAO-UHFFFAOYSA-N 0 0 301.390 3.101 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)C[C@@H]2Cc3ccccc3O2)cc1 ZINC000864633459 621794811 /nfs/dbraw/zinc/79/48/11/621794811.db2.gz HBIKGIUEHXHPKX-SFHVURJKSA-N 0 0 324.424 3.105 20 10 DGCDRN CCOCCCCCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000864863995 621823871 /nfs/dbraw/zinc/82/38/71/621823871.db2.gz USSRPQONHHMWNA-UHFFFAOYSA-N 0 0 318.461 3.500 20 10 DGCDRN CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2CCF ZINC000759349292 621848321 /nfs/dbraw/zinc/84/83/21/621848321.db2.gz YQCOQGVBRBRIOB-UHFFFAOYSA-N 0 0 308.397 3.433 20 10 DGCDRN CCC[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)CCO1 ZINC000759419257 621856142 /nfs/dbraw/zinc/85/61/42/621856142.db2.gz QKVCCYYZBXQHNL-AWEZNQCLSA-N 0 0 311.809 3.249 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCc1ccc2ccccc2n1 ZINC000759590950 621873596 /nfs/dbraw/zinc/87/35/96/621873596.db2.gz YJAKNDLIMCWOFC-UXBLZVDNSA-N 0 0 321.332 3.403 20 10 DGCDRN CC[C@H]1C[C@H](C)CN1C(=O)NCCCSc1nccs1 ZINC000759602498 621874777 /nfs/dbraw/zinc/87/47/77/621874777.db2.gz VYNAKAULFNUVFB-RYUDHWBXSA-N 0 0 313.492 3.455 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2nc(Cl)ccc2F)c1 ZINC000760132397 621916655 /nfs/dbraw/zinc/91/66/55/621916655.db2.gz GGUYNFZJFQBFKG-QMMMGPOBSA-N 0 0 324.739 3.079 20 10 DGCDRN COc1ccc(CN[C@H](C)c2cn(-c3ccccc3)nn2)cc1C ZINC000760469954 621942927 /nfs/dbraw/zinc/94/29/27/621942927.db2.gz JJDWBBBBGUCKRB-OAHLLOKOSA-N 0 0 322.412 3.435 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CC3(C2)CCCCC3)cc1OC ZINC000760604226 621953507 /nfs/dbraw/zinc/95/35/07/621953507.db2.gz LTJYSQDBAAMPHM-UHFFFAOYSA-N 0 0 306.362 3.383 20 10 DGCDRN Oc1ccc(Br)cc1CNc1cnn2c1CCCC2 ZINC000865709860 621981279 /nfs/dbraw/zinc/98/12/79/621981279.db2.gz WYTLCRYBITXQIQ-UHFFFAOYSA-N 0 0 322.206 3.300 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CC2([C@H]3CCCCO3)CCC2)c1 ZINC000865726895 621984710 /nfs/dbraw/zinc/98/47/10/621984710.db2.gz UNDVYCYSRORYJU-MRXNPFEDSA-N 0 0 320.389 3.129 20 10 DGCDRN COc1cc(Cl)cc(CN2CCc3ccc(O)cc3C2)c1O ZINC000761191814 621992873 /nfs/dbraw/zinc/99/28/73/621992873.db2.gz BVYCCCMGYFFZRJ-UHFFFAOYSA-N 0 0 319.788 3.318 20 10 DGCDRN CSc1cc(C(=O)NCCCSc2nccs2)co1 ZINC000865783167 621994897 /nfs/dbraw/zinc/99/48/97/621994897.db2.gz LXJIJRSKXDCQMO-UHFFFAOYSA-N 0 0 314.457 3.370 20 10 DGCDRN CCc1nn(C)c(CC)c1CN(C)c1ccc(OC)c(OC)c1 ZINC000761221490 621995321 /nfs/dbraw/zinc/99/53/21/621995321.db2.gz ONNWMCXRFKXXPI-UHFFFAOYSA-N 0 0 317.433 3.199 20 10 DGCDRN COc1ccc(N(C)Cc2cn(C)nc2C(C)(C)C)cc1OC ZINC000761221413 621995419 /nfs/dbraw/zinc/99/54/19/621995419.db2.gz MBECHLBCTOOGIJ-UHFFFAOYSA-N 0 0 317.433 3.371 20 10 DGCDRN CC(C)(C)c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000865815081 622000651 /nfs/dbraw/zinc/00/06/51/622000651.db2.gz TUXSRKMZDVAGDT-UHFFFAOYSA-N 0 0 304.346 3.481 20 10 DGCDRN CC(C)[C@@H](C)CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761361394 622003398 /nfs/dbraw/zinc/00/33/98/622003398.db2.gz MLNYTPBTHPTBFZ-NSHDSACASA-N 0 0 324.808 3.102 20 10 DGCDRN Oc1ccc(Cl)cc1CNc1ccc(N2CCCC2)nn1 ZINC000865907671 622018649 /nfs/dbraw/zinc/01/86/49/622018649.db2.gz DTGDZUXNVJKDOA-UHFFFAOYSA-N 0 0 304.781 3.048 20 10 DGCDRN COc1c(F)cc(F)cc1NC(=O)NCc1ccccc1O ZINC000761684238 622024068 /nfs/dbraw/zinc/02/40/68/622024068.db2.gz NNEZHLMAEPOREY-UHFFFAOYSA-N 0 0 308.284 3.001 20 10 DGCDRN O=C(NCCCSc1nccs1)C1Cc2ccccc2C1 ZINC000761880508 622036456 /nfs/dbraw/zinc/03/64/56/622036456.db2.gz DAXBTCIESNKVFY-UHFFFAOYSA-N 0 0 318.467 3.157 20 10 DGCDRN O=C(CC1CCSCC1)NCc1ccc(N2CCCC2)cc1 ZINC000761926100 622039436 /nfs/dbraw/zinc/03/94/36/622039436.db2.gz DKOUBXXFCPTGIE-UHFFFAOYSA-N 0 0 318.486 3.436 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)c1cc2sccc2s1 ZINC000762267478 622067231 /nfs/dbraw/zinc/06/72/31/622067231.db2.gz POTOPEZICBMAAI-UHFFFAOYSA-N 0 0 319.407 3.347 20 10 DGCDRN CN(C)c1ccc(CN[C@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC000866218645 622068476 /nfs/dbraw/zinc/06/84/76/622068476.db2.gz UXLIISBHLLJVOS-WMZOPIPTSA-N 0 0 300.377 3.314 20 10 DGCDRN C[C@@H](Nc1nc(C2CCOCC2)ns1)c1ccccc1O ZINC000866236412 622072244 /nfs/dbraw/zinc/07/22/44/622072244.db2.gz AWBVLENIUSGOMF-SNVBAGLBSA-N 0 0 305.403 3.311 20 10 DGCDRN CC(C)(C)OC1CC(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000762460344 622077339 /nfs/dbraw/zinc/07/73/39/622077339.db2.gz JIBFOFJHUFMNBW-UHFFFAOYSA-N 0 0 322.405 3.374 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1nccnc1OC(C)C ZINC000762801212 622099753 /nfs/dbraw/zinc/09/97/53/622099753.db2.gz LKMCCCMETVEKFK-UHFFFAOYSA-N 0 0 300.406 3.250 20 10 DGCDRN Cc1ncc([C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000866454461 622121572 /nfs/dbraw/zinc/12/15/72/622121572.db2.gz CQLUGAMZZWRUOP-RKDXNWHRSA-N 0 0 307.375 3.477 20 10 DGCDRN CC(C)[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])[C@H](O)C(F)(F)F ZINC000866464851 622122745 /nfs/dbraw/zinc/12/27/45/622122745.db2.gz ZBVFMLBUIAJSAX-JCOFBHIZSA-N 0 0 309.303 3.130 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1c2ccccc2CN1C)c1ccc(F)cc1[O-] ZINC000866563005 622138891 /nfs/dbraw/zinc/13/88/91/622138891.db2.gz IMNVLWLHCNVZJX-SJCJKPOMSA-N 0 0 300.377 3.369 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1conc1C1CCCC1 ZINC000866597299 622144058 /nfs/dbraw/zinc/14/40/58/622144058.db2.gz QDKITCRFULPXMJ-UHFFFAOYSA-N 0 0 300.358 3.310 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cncc(OC)c1C ZINC000866598389 622144600 /nfs/dbraw/zinc/14/46/00/622144600.db2.gz BCAAEDXESJZCRT-UHFFFAOYSA-N 0 0 314.385 3.157 20 10 DGCDRN C[NH+](C)[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000763613052 622155258 /nfs/dbraw/zinc/15/52/58/622155258.db2.gz JNHMNWZASQGVPY-ZDUSSCGKSA-N 0 0 300.805 3.101 20 10 DGCDRN C/C(=C/C1CCC(C)CC1)C(=O)NCc1ccc(O)c(O)c1 ZINC000866770313 622162988 /nfs/dbraw/zinc/16/29/88/622162988.db2.gz VKOMWCNXEFGXJC-LCYFTJDESA-N 0 0 303.402 3.487 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)[C@H]2CCCCO2)c1 ZINC000866765275 622163204 /nfs/dbraw/zinc/16/32/04/622163204.db2.gz STCNRAMBXHQKKA-MLGOLLRUSA-N 0 0 321.417 3.173 20 10 DGCDRN Cc1cc(C(=O)N[C@H]2CCC(F)(F)C2)c(C)n1-c1ccccn1 ZINC000763869569 622166556 /nfs/dbraw/zinc/16/65/56/622166556.db2.gz HDZWOEHTGYEMNH-ZDUSSCGKSA-N 0 0 319.355 3.407 20 10 DGCDRN C[C@@H](NC(=O)c1cccc2c1C(=O)CC2)c1ccc(N(C)C)cc1 ZINC000867504704 622169701 /nfs/dbraw/zinc/16/97/01/622169701.db2.gz YVRJNHATNNHCCO-CYBMUJFWSA-N 0 0 322.408 3.373 20 10 DGCDRN COc1ccc(N(C)Cc2nc(CCC(C)C)no2)cc1F ZINC000121748312 622177354 /nfs/dbraw/zinc/17/73/54/622177354.db2.gz GXIQVSHZMBWRIX-UHFFFAOYSA-N 0 0 307.369 3.442 20 10 DGCDRN Nc1nc(NCc2ccc(N3CCCC3)cc2)nc2ccccc12 ZINC000764115410 622180203 /nfs/dbraw/zinc/18/02/03/622180203.db2.gz RJQDBMUCYGFMAI-UHFFFAOYSA-N 0 0 319.412 3.424 20 10 DGCDRN CS/C=C\C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000764243954 622186182 /nfs/dbraw/zinc/18/61/82/622186182.db2.gz YTFXGVIPANEFLW-HJWRWDBZSA-N 0 0 323.373 3.277 20 10 DGCDRN COc1ccc(N(C)CC(=O)Nc2ccccc2)cc1Cl ZINC000121860798 622186798 /nfs/dbraw/zinc/18/67/98/622186798.db2.gz HERJSLUELMWVMA-UHFFFAOYSA-N 0 0 304.777 3.424 20 10 DGCDRN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)C1=CC(=O)CS1 ZINC000764341783 622189358 /nfs/dbraw/zinc/18/93/58/622189358.db2.gz KGKWXSYIYSNZGG-UHFFFAOYSA-N 0 0 313.382 3.116 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N3CC[C@@H](C4CC4)C3)ccc21 ZINC000764370721 622190406 /nfs/dbraw/zinc/19/04/06/622190406.db2.gz DUMDHXWTMDIGNT-QGZVFWFLSA-N 0 0 313.445 3.011 20 10 DGCDRN COc1ccc(CCNC(=O)N[C@H](C)c2ccccc2O)cc1 ZINC000867952073 622196331 /nfs/dbraw/zinc/19/63/31/622196331.db2.gz SRNOOMHQGNECQD-CYBMUJFWSA-N 0 0 314.385 3.004 20 10 DGCDRN COc1ccc(CCNC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000867952074 622196457 /nfs/dbraw/zinc/19/64/57/622196457.db2.gz SRNOOMHQGNECQD-ZDUSSCGKSA-N 0 0 314.385 3.004 20 10 DGCDRN CON(C(=O)C1=CC(=O)CS1)[C@H]1CCCOc2ccccc21 ZINC000764673978 622212381 /nfs/dbraw/zinc/21/23/81/622212381.db2.gz UZWBDEPBGMRWKQ-ZDUSSCGKSA-N 0 0 319.382 3.371 20 10 DGCDRN CCOc1ccccc1CNC(=O)N[C@H](C)c1ccccc1O ZINC000868129355 622216995 /nfs/dbraw/zinc/21/69/95/622216995.db2.gz XCXVQFWCZPQXCX-CYBMUJFWSA-N 0 0 314.385 3.351 20 10 DGCDRN Nc1ccc(NC(=O)NCCSCCC(F)(F)F)cc1 ZINC000868164040 622220700 /nfs/dbraw/zinc/22/07/00/622220700.db2.gz UHUNXAVNQYLWEX-UHFFFAOYSA-N 0 0 307.341 3.076 20 10 DGCDRN Nc1ccc(NC(=O)N2CCC3(CCSCC3)CC2)cc1 ZINC000868162441 622220842 /nfs/dbraw/zinc/22/08/42/622220842.db2.gz HETZEUUKEYVPPL-UHFFFAOYSA-N 0 0 305.447 3.410 20 10 DGCDRN Cc1nc(C)c(CCNC(=O)N[C@@H](C)c2ccccc2O)s1 ZINC000868229493 622227025 /nfs/dbraw/zinc/22/70/25/622227025.db2.gz SVTYOBMKFOQSAU-JTQLQIEISA-N 0 0 319.430 3.068 20 10 DGCDRN CC(C)c1cc(CNC(=O)N[C@H](C)c2ccccc2O)on1 ZINC000868256784 622228460 /nfs/dbraw/zinc/22/84/60/622228460.db2.gz PVSRQXRRQHXCML-LLVKDONJSA-N 0 0 303.362 3.064 20 10 DGCDRN CC1(F)CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000868297762 622231949 /nfs/dbraw/zinc/23/19/49/622231949.db2.gz LVZXCPTZTABHTG-UHFFFAOYSA-N 0 0 317.408 3.096 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1C[C@H]1Cc1ccccc1)c1ccccc1O ZINC000868309310 622232939 /nfs/dbraw/zinc/23/29/39/622232939.db2.gz UBJPAHOYOYCGHS-FRFSOERESA-N 0 0 310.397 3.384 20 10 DGCDRN Cc1nc(C)c(C)c(NCc2cccc(Br)c2O)n1 ZINC000764933515 622234113 /nfs/dbraw/zinc/23/41/13/622234113.db2.gz DYFVIWCYFSNENN-UHFFFAOYSA-N 0 0 322.206 3.482 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1)c1ccccc1O ZINC000868460966 622245782 /nfs/dbraw/zinc/24/57/82/622245782.db2.gz IBVBZADYOCRQAH-XJKCOSOUSA-N 0 0 320.433 3.346 20 10 DGCDRN Cc1ccsc1CCNC(=O)N[C@@H](C)c1ccccc1O ZINC000868475842 622247713 /nfs/dbraw/zinc/24/77/13/622247713.db2.gz MOMKUNLMPNVGBU-LBPRGKRZSA-N 0 0 304.415 3.365 20 10 DGCDRN CC[C@H](CC(F)(F)F)NC(=O)N[C@H](C)c1ccccc1O ZINC000868501450 622250805 /nfs/dbraw/zinc/25/08/05/622250805.db2.gz KEURRSJFOHLTSR-NXEZZACHSA-N 0 0 304.312 3.483 20 10 DGCDRN CC(C)C[C@H]1OCCC[C@H]1NC(=O)N[C@H](C)c1ccccc1O ZINC000868516445 622253178 /nfs/dbraw/zinc/25/31/78/622253178.db2.gz IIOXAAYWRDRPBI-FRFSOERESA-N 0 0 320.433 3.346 20 10 DGCDRN CC1=CC(C)=S=C1C(=O)Nc1ccc(N=S(C)(C)=O)cc1 ZINC000868542953 622255953 /nfs/dbraw/zinc/25/59/53/622255953.db2.gz AEQUWLQVXZCTEF-UHFFFAOYSA-N 0 0 322.455 3.042 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)c1c(F)cncc1F ZINC000868605475 622263177 /nfs/dbraw/zinc/26/31/77/622263177.db2.gz DUEQUWQSGPLIDF-VHSXEESVSA-N 0 0 321.327 3.187 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H](C1CC1)C(F)(F)F)c1ccccc1O ZINC000868617088 622264603 /nfs/dbraw/zinc/26/46/03/622264603.db2.gz DSMWSNTWGUIEGI-PELKAZGASA-N 0 0 302.296 3.093 20 10 DGCDRN C[C@@H](NC(=O)NC[C@@]1(C)CC1(Cl)Cl)c1ccccc1O ZINC000868669532 622270763 /nfs/dbraw/zinc/27/07/63/622270763.db2.gz YYRBSDZKAIHXLO-NOZJJQNGSA-N 0 0 317.216 3.336 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1C[C@@]1(F)c1ccccc1)c1ccccc1O ZINC000868725806 622278047 /nfs/dbraw/zinc/27/80/47/622278047.db2.gz PHNSGVLNJHYQML-ULFGMLNVSA-N 0 0 314.360 3.390 20 10 DGCDRN CN(Cc1cc(Cl)ccc1F)C(=O)c1cccc(O)c1O ZINC000765635738 622279013 /nfs/dbraw/zinc/27/90/13/622279013.db2.gz RKOSLLJGAWQYBB-UHFFFAOYSA-N 0 0 309.724 3.163 20 10 DGCDRN COc1cc(O)c(CN2C[C@@H](C)Oc3ccccc32)cc1OC ZINC000765652726 622279593 /nfs/dbraw/zinc/27/95/93/622279593.db2.gz XXDFOZFLBQTTJV-GFCCVEGCSA-N 0 0 315.369 3.197 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1C[C@H](OC(C)(C)C)C1)c1ccccc1O ZINC000868752253 622281111 /nfs/dbraw/zinc/28/11/11/622281111.db2.gz NSGHGJPOYNORGZ-AVGNSLFASA-N 0 0 306.406 3.099 20 10 DGCDRN CCC(O)(CC)C(C)(C)CNC(=O)N[C@@H](C)c1ccccc1O ZINC000868765004 622282364 /nfs/dbraw/zinc/28/23/64/622282364.db2.gz HILHVXBOVSSSGT-ZDUSSCGKSA-N 0 0 322.449 3.330 20 10 DGCDRN C[C@H](C(=O)NCc1cccc(Br)c1O)C(C)(C)C ZINC000765750722 622285221 /nfs/dbraw/zinc/28/52/21/622285221.db2.gz KVEAHBRDASVOEZ-SECBINFHSA-N 0 0 314.223 3.453 20 10 DGCDRN O=C(/C=C/c1ccco1)NCc1cccc(Br)c1O ZINC000765765392 622285860 /nfs/dbraw/zinc/28/58/60/622285860.db2.gz RRZWNYQWPKCWFL-VOTSOKGWSA-N 0 0 322.158 3.077 20 10 DGCDRN COc1ccc(N2CCN(C(=O)C3(C)CCCCC3)CC2)cc1 ZINC000122352058 622300259 /nfs/dbraw/zinc/30/02/59/622300259.db2.gz KBIFTGCEKSTAMB-UHFFFAOYSA-N 0 0 316.445 3.314 20 10 DGCDRN O=C(NCC[C@H]1CCCS1)NCc1cc(Cl)ccc1O ZINC000868973845 622304951 /nfs/dbraw/zinc/30/49/51/622304951.db2.gz LFMSKXYQRDIEBN-GFCCVEGCSA-N 0 0 314.838 3.131 20 10 DGCDRN COC(=O)c1occc1CN1CCCCc2cc(OC)ccc21 ZINC000766267291 622316133 /nfs/dbraw/zinc/31/61/33/622316133.db2.gz AYHGQKNPMNATIO-UHFFFAOYSA-N 0 0 315.369 3.418 20 10 DGCDRN COc1ccc2c(c1)CCCCN2CC(=O)NCc1ccccc1 ZINC000766269424 622316446 /nfs/dbraw/zinc/31/64/46/622316446.db2.gz KDDWAYKWSLDEER-UHFFFAOYSA-N 0 0 324.424 3.154 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2conc2C2CCCC2)c1 ZINC000869409894 622352686 /nfs/dbraw/zinc/35/26/86/622352686.db2.gz FOWMCJDRLWQUSJ-UHFFFAOYSA-N 0 0 300.358 3.276 20 10 DGCDRN CCc1ncnc(N(Cc2ccc(N(C)C)cc2)C2CC2)c1F ZINC000767203703 622382933 /nfs/dbraw/zinc/38/29/33/622382933.db2.gz DUZBNXCVAGOYOW-UHFFFAOYSA-N 0 0 314.408 3.413 20 10 DGCDRN Cc1ccc2[nH]c(C(=O)NCCc3ccc(O)c(O)c3)cc2c1C ZINC000122763361 622403688 /nfs/dbraw/zinc/40/36/88/622403688.db2.gz FTQUNJANUBSIEB-UHFFFAOYSA-N 0 0 324.380 3.168 20 10 DGCDRN Cc1cc(=O)oc2cc(N(C)C(=O)/C=C/c3cccnc3)ccc12 ZINC000805349857 622406299 /nfs/dbraw/zinc/40/62/99/622406299.db2.gz GDVAOIYGVMYOQM-VMPITWQZSA-N 0 0 320.348 3.173 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CC3CCC2CC3)cc1 ZINC000767840919 622424625 /nfs/dbraw/zinc/42/46/25/622424625.db2.gz MWMGTGJXDADBMH-PUJMQQBBSA-N 0 0 301.434 3.131 20 10 DGCDRN Cc1cc(C(=O)NC2(CO)CCC2)c(C)n1-c1ccccc1C ZINC000767891879 622426493 /nfs/dbraw/zinc/42/64/93/622426493.db2.gz WBSIDUMYSKLQBN-UHFFFAOYSA-N 0 0 312.413 3.047 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(O)c(F)c1 ZINC000768291682 622448875 /nfs/dbraw/zinc/44/88/75/622448875.db2.gz FABSIXJRJVTUBR-UHFFFAOYSA-N 0 0 315.344 3.046 20 10 DGCDRN C[C@H]([NH2+]C[C@]1(C)CCO[C@@H]1C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000768295187 622448899 /nfs/dbraw/zinc/44/88/99/622448899.db2.gz SIGCXPRSPMJDJX-JECHBYEQSA-N 0 0 320.389 3.156 20 10 DGCDRN C[C@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)c2ccccc21 ZINC000768462492 622458215 /nfs/dbraw/zinc/45/82/15/622458215.db2.gz LYURVGAVWMBGRU-SGTLLEGYSA-N 0 0 311.381 3.332 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCC(C)(C)C1 ZINC000768763699 622475143 /nfs/dbraw/zinc/47/51/43/622475143.db2.gz JYXVXHZOQZFFND-OAHLLOKOSA-N 0 0 303.450 3.439 20 10 DGCDRN CCN(CC)c1ccc(CNc2ccc3nc[nH]c(=O)c3n2)cc1 ZINC000881821766 625569779 /nfs/dbraw/zinc/56/97/79/625569779.db2.gz MKWVTGZCFAXYLK-UHFFFAOYSA-N 0 0 323.400 3.189 20 10 DGCDRN COCCOc1ccccc1NCc1cccc(OC)c1O ZINC000123178853 622478922 /nfs/dbraw/zinc/47/89/22/622478922.db2.gz GFQWRVIESVOCAT-UHFFFAOYSA-N 0 0 303.358 3.038 20 10 DGCDRN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@@]12C[C@@H]1CCCC2 ZINC000870529488 622479210 /nfs/dbraw/zinc/47/92/10/622479210.db2.gz OBOMJVMLZVGSKP-WCLSZNLYSA-N 0 0 301.386 3.196 20 10 DGCDRN C[C@@H](CCC1CC1)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000768940557 622487175 /nfs/dbraw/zinc/48/71/75/622487175.db2.gz KLWXGZJEMTWWBS-HNNXBMFYSA-N 0 0 313.445 3.441 20 10 DGCDRN COCCOc1ccccc1NCc1ccc(N(C)C)cc1 ZINC000123230673 622488379 /nfs/dbraw/zinc/48/83/79/622488379.db2.gz ALSLCSFJFPVIBK-UHFFFAOYSA-N 0 0 300.402 3.390 20 10 DGCDRN C[C@@H](CCC1CC1)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000768971164 622489082 /nfs/dbraw/zinc/48/90/82/622489082.db2.gz ZGGOGPRCOUEYFU-LBPRGKRZSA-N 0 0 307.413 3.270 20 10 DGCDRN CC[C@@H](C)[C@H](NC(=O)c1ccc(C)c(O)c1O)C(F)(F)F ZINC000769080279 622497325 /nfs/dbraw/zinc/49/73/25/622497325.db2.gz AEKSQKCPFYJEKF-KRTXAFLBSA-N 0 0 305.296 3.113 20 10 DGCDRN COc1ccc(-n2c(C)cc(CN(C)Cc3cc[nH]n3)c2C)cc1 ZINC000769385243 622523450 /nfs/dbraw/zinc/52/34/50/622523450.db2.gz UMHYMHJHMAOBRF-UHFFFAOYSA-N 0 0 324.428 3.458 20 10 DGCDRN C[C@H]1SCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H]1C ZINC000769445595 622528099 /nfs/dbraw/zinc/52/80/99/622528099.db2.gz HKJQVAKWLGOATB-RKDXNWHRSA-N 0 0 316.810 3.280 20 10 DGCDRN CN(C)c1ccc(CN2CCOC[C@H]2c2ccccc2)cc1F ZINC000769503816 622534943 /nfs/dbraw/zinc/53/49/43/622534943.db2.gz NIPWXTBLGRAMBS-IBGZPJMESA-N 0 0 314.404 3.465 20 10 DGCDRN Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H](Oc2ccccn2)C1 ZINC000769505510 622535622 /nfs/dbraw/zinc/53/56/22/622535622.db2.gz CIRVLIQIQDWEPK-AWEZNQCLSA-N 0 0 304.777 3.094 20 10 DGCDRN COc1ccc(O)c(CNC(=O)C2C3CC4CC(C3)CC2C4)c1 ZINC000769542614 622539195 /nfs/dbraw/zinc/53/91/95/622539195.db2.gz ICBQWYVLLKQJRG-UHFFFAOYSA-N 0 0 315.413 3.089 20 10 DGCDRN Cc1nc(C(C)C)sc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871198847 622565507 /nfs/dbraw/zinc/56/55/07/622565507.db2.gz PMXHRIOLTXNGLG-UHFFFAOYSA-N 0 0 302.399 3.437 20 10 DGCDRN COc1ccc(CCC(=O)N2Cc3cccc(O)c3C2)cc1F ZINC000871198857 622565619 /nfs/dbraw/zinc/56/56/19/622565619.db2.gz PRPSNTOZCUCRFX-UHFFFAOYSA-N 0 0 315.344 3.015 20 10 DGCDRN Cc1cc(C)cc(OCCC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871198304 622565710 /nfs/dbraw/zinc/56/57/10/622565710.db2.gz GUFCFUXZQUHFIK-UHFFFAOYSA-N 0 0 311.381 3.320 20 10 DGCDRN Cc1ccc(OCCC(=O)N2Cc3cccc(O)c3C2)c(C)c1 ZINC000871198664 622565825 /nfs/dbraw/zinc/56/58/25/622565825.db2.gz MOSCDZIREDQQHS-UHFFFAOYSA-N 0 0 311.381 3.320 20 10 DGCDRN CC[C@H](Oc1cccc(C)c1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871202650 622567224 /nfs/dbraw/zinc/56/72/24/622567224.db2.gz DEVHFNMEYGWIGE-SFHVURJKSA-N 0 0 311.381 3.400 20 10 DGCDRN CO[C@@H](C)c1nc(C)c(C(=O)N2Cc3cccc(O)c3C2)s1 ZINC000871203704 622567263 /nfs/dbraw/zinc/56/72/63/622567263.db2.gz QKRJOUVBWHQRSP-JTQLQIEISA-N 0 0 318.398 3.021 20 10 DGCDRN CCOCCC1(C(=O)N2Cc3cccc(O)c3C2)CCCC1 ZINC000871203849 622567361 /nfs/dbraw/zinc/56/73/61/622567361.db2.gz TXOSFOGRGLUSBT-UHFFFAOYSA-N 0 0 303.402 3.221 20 10 DGCDRN O=C(N1Cc2cccc(O)c2C1)C1(c2cccnc2)CCCC1 ZINC000871204940 622567785 /nfs/dbraw/zinc/56/77/85/622567785.db2.gz LQWVGMCUHBQOMK-UHFFFAOYSA-N 0 0 308.381 3.141 20 10 DGCDRN O=C([C@H]1CCCc2c(O)cccc21)N1Cc2cccc(O)c2C1 ZINC000871204929 622567817 /nfs/dbraw/zinc/56/78/17/622567817.db2.gz SRTUTYIOACQKLT-HNNXBMFYSA-N 0 0 309.365 3.060 20 10 DGCDRN O=C(C[C@]12CCCC[C@H]1C2(F)F)N1Cc2cccc(O)c2C1 ZINC000871206307 622567839 /nfs/dbraw/zinc/56/78/39/622567839.db2.gz ZEPYHJPGMWOPDQ-GDBMZVCRSA-N 0 0 307.340 3.450 20 10 DGCDRN O=C([C@@H]1COCC[C@@H]1c1ccccc1)N1Cc2cccc(O)c2C1 ZINC000871205688 622567967 /nfs/dbraw/zinc/56/79/67/622567967.db2.gz KDGHGZLNFWXVMI-SJLPKXTDSA-N 0 0 323.392 3.055 20 10 DGCDRN C[C@H](COCC(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000871206254 622568004 /nfs/dbraw/zinc/56/80/04/622568004.db2.gz XJONYCNQLSLNAY-CQSZACIVSA-N 0 0 311.381 3.055 20 10 DGCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2cccc(OC)c2F)c1 ZINC000769980444 622585401 /nfs/dbraw/zinc/58/54/01/622585401.db2.gz MCBKBWPCEVBEBB-SNVBAGLBSA-N 0 0 319.332 3.500 20 10 DGCDRN Cc1nc(C(=O)NCc2ccc(N3CCCC3)cc2)sc1C ZINC000770210824 622612379 /nfs/dbraw/zinc/61/23/79/622612379.db2.gz NRNLBAQKBPEMSS-UHFFFAOYSA-N 0 0 315.442 3.290 20 10 DGCDRN Cc1cc(C(=O)NC(C)(C)[C@H](C)O)c(C)n1-c1ccc(F)cc1 ZINC000770439356 622634515 /nfs/dbraw/zinc/63/45/15/622634515.db2.gz CSUDDDRUMPDDJG-ZDUSSCGKSA-N 0 0 318.392 3.122 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)N[C@@H]1CC12CC2 ZINC000888584041 622649911 /nfs/dbraw/zinc/64/99/11/622649911.db2.gz VLAQQCQQUKKQCO-CYBMUJFWSA-N 0 0 319.368 3.070 20 10 DGCDRN COc1ccc(N2CCN(Cc3ncc(Cl)s3)CC2)cc1 ZINC000770610239 622651481 /nfs/dbraw/zinc/65/14/81/622651481.db2.gz DYNDKODMTHEZCM-UHFFFAOYSA-N 0 0 323.849 3.127 20 10 DGCDRN COc1ccc(N(C)Cc2cn(C)nc2C(F)F)cc1OC ZINC000770647330 622656926 /nfs/dbraw/zinc/65/69/26/622656926.db2.gz FAHUWETUAUZBFN-UHFFFAOYSA-N 0 0 311.332 3.011 20 10 DGCDRN CCC1(CC)[C@H](NC(=O)N(C)Cc2ccccc2O)C[C@@H]1OC ZINC000123733601 622664475 /nfs/dbraw/zinc/66/44/75/622664475.db2.gz DMMBXMOJXWXWKO-CVEARBPZSA-N 0 0 320.433 3.127 20 10 DGCDRN CSc1nc2ncnc(NCc3ccccc3O)c2s1 ZINC000771178827 622723338 /nfs/dbraw/zinc/72/33/38/622723338.db2.gz LEXBNGIKUZPYPH-UHFFFAOYSA-N 0 0 304.400 3.126 20 10 DGCDRN CCCOc1ccc(C[NH2+][C@@H](Cc2ccco2)C(=O)[O-])cc1C ZINC000871879103 622727073 /nfs/dbraw/zinc/72/70/73/622727073.db2.gz ZHOYFBNPILEROA-INIZCTEOSA-N 0 0 317.385 3.162 20 10 DGCDRN C[C@@H](NC(=O)c1c(F)ccc(O)c1O)[C@H](C)c1ccccc1 ZINC000789991709 625591741 /nfs/dbraw/zinc/59/17/41/625591741.db2.gz ZLQFTAXGJRYLHH-WDEREUQCSA-N 0 0 303.333 3.159 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1nc(Cl)cs1 ZINC000789996903 625591885 /nfs/dbraw/zinc/59/18/85/625591885.db2.gz WJIZHBJVQXGQFN-UHFFFAOYSA-N 0 0 322.817 3.311 20 10 DGCDRN CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)C1=CC(=O)CS1 ZINC000771417363 622756792 /nfs/dbraw/zinc/75/67/92/622756792.db2.gz HWDMHZFXUASBNA-XPTSAGLGSA-N 0 0 309.362 3.099 20 10 DGCDRN CN(c1ccc(CNC(=O)CCCCO)cc1)C1CCCCC1 ZINC000771505138 622770041 /nfs/dbraw/zinc/77/00/41/622770041.db2.gz XNJCQJHZTYSILH-UHFFFAOYSA-N 0 0 318.461 3.234 20 10 DGCDRN CCOc1cc(NCc2ccc(N3CCCCC3)cc2)ncn1 ZINC000772010745 622832365 /nfs/dbraw/zinc/83/23/65/622832365.db2.gz WWEDOFDFIPXSPG-UHFFFAOYSA-N 0 0 312.417 3.478 20 10 DGCDRN CCCCOc1ccccc1NC[C@@H](O)C[C@](C)(O)C1CC1 ZINC000872210493 622857725 /nfs/dbraw/zinc/85/77/25/622857725.db2.gz BMWRFVTWXGFUIW-YJBOKZPZSA-N 0 0 307.434 3.189 20 10 DGCDRN C[C@@H](Nc1nccc(N2CCCC2)n1)c1ccc(N(C)C)cc1 ZINC000772299676 622881713 /nfs/dbraw/zinc/88/17/13/622881713.db2.gz FMDMRLQGPYXFGG-CQSZACIVSA-N 0 0 311.433 3.316 20 10 DGCDRN CC[C@@H]1CC[C@H](C)N1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000772454724 622898948 /nfs/dbraw/zinc/89/89/48/622898948.db2.gz JTOLPLBUTVUGPA-GXTWGEPZSA-N 0 0 307.413 3.364 20 10 DGCDRN Cn1ccc(/C=C2/SC(=S)N(c3ccsc3)C2=O)c1 ZINC000790108871 625604469 /nfs/dbraw/zinc/60/44/69/625604469.db2.gz XBSGGFFRQQPNTO-IZZDOVSWSA-N 0 0 306.437 3.492 20 10 DGCDRN CC[C@H](C)OCC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000124087574 622915846 /nfs/dbraw/zinc/91/58/46/622915846.db2.gz NPCWBEAPEXGLCC-AWEZNQCLSA-N 0 0 317.385 3.329 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCc1cccc(F)c1F ZINC000772774781 622937085 /nfs/dbraw/zinc/93/70/85/622937085.db2.gz KTHMSGLEWBUHKJ-FNORWQNLSA-N 0 0 306.264 3.133 20 10 DGCDRN C[C@H](NC(=O)c1ccc2c(c1)COC2)c1ccc(N(C)C)cc1 ZINC000772998379 622963089 /nfs/dbraw/zinc/96/30/89/622963089.db2.gz JKKVXWJXOARNPE-ZDUSSCGKSA-N 0 0 310.397 3.274 20 10 DGCDRN Cc1noc(C)c1[C@@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773014286 622966957 /nfs/dbraw/zinc/96/69/57/622966957.db2.gz LGCMGAMWDBDHED-VXGBXAGGSA-N 0 0 315.417 3.338 20 10 DGCDRN COCc1ccccc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773012542 622967184 /nfs/dbraw/zinc/96/71/84/622967184.db2.gz UYTRUWUQXYENOY-AWEZNQCLSA-N 0 0 312.413 3.390 20 10 DGCDRN C[C@@H](NC(=O)[C@H]1COc2ccccc21)c1ccc(N(C)C)cc1 ZINC000773015007 622968426 /nfs/dbraw/zinc/96/84/26/622968426.db2.gz MXQYWGGQNLKQLO-DYVFJYSZSA-N 0 0 310.397 3.106 20 10 DGCDRN C[C@@H](NC(=O)[C@H](C)Oc1ccccc1)c1ccc(N(C)C)cc1 ZINC000773018277 622968619 /nfs/dbraw/zinc/96/86/19/622968619.db2.gz YNFRZKFKDKKTFU-CABCVRRESA-N 0 0 312.413 3.397 20 10 DGCDRN Cc1ccc(OCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000773019327 622969282 /nfs/dbraw/zinc/96/92/82/622969282.db2.gz KOADVTWGPLAOAI-OAHLLOKOSA-N 0 0 312.413 3.317 20 10 DGCDRN C[C@@H](NC(=O)CC1CCSCC1)c1ccc(N(C)C)cc1 ZINC000773024680 622969818 /nfs/dbraw/zinc/96/98/18/622969818.db2.gz NDQJBKOFEZGDES-CYBMUJFWSA-N 0 0 306.475 3.463 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCCOC[C@@H]2C)cc1 ZINC000773141972 622990526 /nfs/dbraw/zinc/99/05/26/622990526.db2.gz VEQGOAYZJMBSSM-INIZCTEOSA-N 0 0 312.413 3.345 20 10 DGCDRN Cc1ccccc1C[C@H](C)N(C)C(=O)c1ccc(C)c(O)c1O ZINC000773216537 623000934 /nfs/dbraw/zinc/00/09/34/623000934.db2.gz ZYBMTJCOZSWTFX-AWEZNQCLSA-N 0 0 313.397 3.418 20 10 DGCDRN CCCCOCCCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773215298 623001454 /nfs/dbraw/zinc/00/14/54/623001454.db2.gz PFNOZQXPSYUOCR-HNNXBMFYSA-N 0 0 321.465 3.320 20 10 DGCDRN COc1cc(SC)ccc1NC(=O)c1cccc(O)c1O ZINC000773252261 623004965 /nfs/dbraw/zinc/00/49/65/623004965.db2.gz NUBNUDMZFCFQNE-UHFFFAOYSA-N 0 0 305.355 3.081 20 10 DGCDRN CSCC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773309589 623010964 /nfs/dbraw/zinc/01/09/64/623010964.db2.gz YDDOSPNNXNHFBU-OLZOCXBDSA-N 0 0 309.479 3.254 20 10 DGCDRN CO[C@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(C)(C)C ZINC000773348676 623016107 /nfs/dbraw/zinc/01/61/07/623016107.db2.gz XTTDWAGQIYCROX-CZUORRHYSA-N 0 0 321.465 3.174 20 10 DGCDRN C[C@@H](NC(=O)NC[C@@]1(C)CCCS1)c1ccc(N(C)C)cc1 ZINC000773387998 623021230 /nfs/dbraw/zinc/02/12/30/623021230.db2.gz BMOLORYSAZQODN-CXAGYDPISA-N 0 0 321.490 3.399 20 10 DGCDRN C[C@H](NC(=O)NCC[C@@H]1CCCCO1)c1ccc(N(C)C)cc1 ZINC000773436845 623027195 /nfs/dbraw/zinc/02/71/95/623027195.db2.gz SEJVIXBLCSAJKX-YOEHRIQHSA-N 0 0 319.449 3.072 20 10 DGCDRN C[C@@H](NC(=O)NCC[C@H]1CCCCO1)c1ccc(N(C)C)cc1 ZINC000773436840 623027325 /nfs/dbraw/zinc/02/73/25/623027325.db2.gz SEJVIXBLCSAJKX-RHSMWYFYSA-N 0 0 319.449 3.072 20 10 DGCDRN CCCOc1ccc(CN[C@@H](c2nncn2C)C(C)C)cc1C ZINC000873126605 623042424 /nfs/dbraw/zinc/04/24/24/623042424.db2.gz UZUPFVVGWDRWAM-QGZVFWFLSA-N 0 0 316.449 3.399 20 10 DGCDRN CCCOc1ccc(CN[C@@H]2C[C@H](C)n3ncnc32)cc1C ZINC000873135531 623045757 /nfs/dbraw/zinc/04/57/57/623045757.db2.gz YKJBRCQSFHVJQH-DZGCQCFKSA-N 0 0 300.406 3.171 20 10 DGCDRN C[C@@H](NC(=O)N1C[C@@H](C)OC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000773610021 623050989 /nfs/dbraw/zinc/05/09/89/623050989.db2.gz BTAFVGSSTJOWIX-ZIAGYGMSSA-N 0 0 319.449 3.023 20 10 DGCDRN C[C@H](NC(=O)NC[C@@H]1Cc2ccccc21)c1ccc(N(C)C)cc1 ZINC000773614268 623051040 /nfs/dbraw/zinc/05/10/40/623051040.db2.gz SUQRUIGSCUVFQD-YOEHRIQHSA-N 0 0 323.440 3.453 20 10 DGCDRN C[C@@H](NC(=O)NC[C@@H]1CC=CCC1)c1ccc(N(C)C)cc1 ZINC000773622653 623052649 /nfs/dbraw/zinc/05/26/49/623052649.db2.gz HAONAVGMFNJMHW-HUUCEWRRSA-N 0 0 301.434 3.469 20 10 DGCDRN C[C@H](NC(=O)N1CCOC(C)(C)[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000773626308 623052977 /nfs/dbraw/zinc/05/29/77/623052977.db2.gz SPVPQPWEBKNPFY-KBPBESRZSA-N 0 0 319.449 3.023 20 10 DGCDRN COc1cccc(O)c1CNCc1noc2c1CC(C)(C)CC2 ZINC000873175766 623062533 /nfs/dbraw/zinc/06/25/33/623062533.db2.gz QBWLUSTULGBUTG-UHFFFAOYSA-N 0 0 316.401 3.194 20 10 DGCDRN Cc1ccc(CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1C ZINC000773739443 623065754 /nfs/dbraw/zinc/06/57/54/623065754.db2.gz CCMKFJJQZNOOSE-AWEZNQCLSA-N 0 0 313.397 3.005 20 10 DGCDRN Cc1ccc(Cl)cc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000773745647 623066762 /nfs/dbraw/zinc/06/67/62/623066762.db2.gz PCCYGZNYGZTDEI-NSHDSACASA-N 0 0 319.788 3.421 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCCc1ccsc1 ZINC000773763335 623070079 /nfs/dbraw/zinc/07/00/79/623070079.db2.gz TUGOXEJVJKZLLP-LBPRGKRZSA-N 0 0 319.426 3.229 20 10 DGCDRN CCn1ncc(NCc2c(O)cccc2Br)c1C ZINC000873196449 623071496 /nfs/dbraw/zinc/07/14/96/623071496.db2.gz MSPPRSKQNSCYHH-UHFFFAOYSA-N 0 0 310.195 3.292 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873230021 623082969 /nfs/dbraw/zinc/08/29/69/623082969.db2.gz KYCIINJMOQGRQS-TZMCWYRMSA-N 0 0 301.217 3.073 20 10 DGCDRN COC(=O)c1cccc(CN(C)c2ccc(OC(C)C)cc2)n1 ZINC000773888752 623085682 /nfs/dbraw/zinc/08/56/82/623085682.db2.gz NPAMMKYHUAAUSC-UHFFFAOYSA-N 0 0 314.385 3.292 20 10 DGCDRN Cc1ncc(/C=C/C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000773990686 623097756 /nfs/dbraw/zinc/09/77/56/623097756.db2.gz WGCZPKVYECJCSA-VMPCVLLUSA-N 0 0 315.442 3.408 20 10 DGCDRN C[C@H](NC(=S)NC(C1CC1)C1CC1)c1ccc(N(C)C)cc1 ZINC000774251542 623125016 /nfs/dbraw/zinc/12/50/16/623125016.db2.gz ABSAUHICSXACLB-LBPRGKRZSA-N 0 0 317.502 3.466 20 10 DGCDRN Cc1cc(Br)cc(CN2C[C@H](C)O[C@@H](C)C2)c1O ZINC000124498090 623127543 /nfs/dbraw/zinc/12/75/43/623127543.db2.gz DAEITPCETJIOSP-QWRGUYRKSA-N 0 0 314.223 3.072 20 10 DGCDRN CCc1cnccc1[C@@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000774328070 623132711 /nfs/dbraw/zinc/13/27/11/623132711.db2.gz GUUDSVSIMMNQRF-CYBMUJFWSA-N 0 0 313.401 3.252 20 10 DGCDRN CO[C@]1(C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])CCOC1 ZINC000774359428 623136216 /nfs/dbraw/zinc/13/62/16/623136216.db2.gz PLQGXMBIXLBHHL-OTYXRUKQSA-N 0 0 320.216 3.155 20 10 DGCDRN CC[C@@H]1CN(Cc2cc(Br)cc(C)c2O)CCO1 ZINC000124524721 623153455 /nfs/dbraw/zinc/15/34/55/623153455.db2.gz YEMVUXDHQJZTHY-CYBMUJFWSA-N 0 0 314.223 3.074 20 10 DGCDRN CC(C)Oc1cncc(NCCCSc2nccs2)n1 ZINC000124580523 623187338 /nfs/dbraw/zinc/18/73/38/623187338.db2.gz MVAOYGAJDIOBQM-UHFFFAOYSA-N 0 0 310.448 3.315 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000774888672 623205768 /nfs/dbraw/zinc/20/57/68/623205768.db2.gz RTOBALZHAQPIEK-YRGRVCCFSA-N 0 0 320.389 3.462 20 10 DGCDRN C[C@@H]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C ZINC000873749716 623210515 /nfs/dbraw/zinc/21/05/15/623210515.db2.gz PFWNWXAMWCEARU-JTNHKYCSSA-N 0 0 302.378 3.404 20 10 DGCDRN CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774964003 623212083 /nfs/dbraw/zinc/21/20/83/623212083.db2.gz MOWITFDTXHGWTB-YPMHNXCESA-N 0 0 308.378 3.367 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@H](C)Cc2ccsc2)ccc1[N+](=O)[O-] ZINC000774976604 623212829 /nfs/dbraw/zinc/21/28/29/623212829.db2.gz HWIFPKDBUUYJNJ-SNVBAGLBSA-N 0 0 322.386 3.091 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000775014831 623216665 /nfs/dbraw/zinc/21/66/65/623216665.db2.gz QHWLAWUHTXYGAH-YRGRVCCFSA-N 0 0 320.389 3.367 20 10 DGCDRN CC[C@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000775023795 623217649 /nfs/dbraw/zinc/21/76/49/623217649.db2.gz MDIXZIKHQBMSCJ-WCQYABFASA-N 0 0 308.378 3.367 20 10 DGCDRN COc1c(O)c(CN2C[C@H](C)c3ccccc32)ccc1[N+](=O)[O-] ZINC000775054983 623222077 /nfs/dbraw/zinc/22/20/77/623222077.db2.gz DOTFNSLTOMMRRW-NSHDSACASA-N 0 0 314.341 3.433 20 10 DGCDRN COc1c(O)c(CN(C)c2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000775057824 623222947 /nfs/dbraw/zinc/22/29/47/623222947.db2.gz TVTZSFXCFOCDMX-UHFFFAOYSA-N 0 0 302.330 3.254 20 10 DGCDRN COc1c([O-])c(C[N@H+](C)C[C@H]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000775061107 623223687 /nfs/dbraw/zinc/22/36/87/623223687.db2.gz SATCUMCWIQNKEO-LBPRGKRZSA-N 0 0 306.362 3.097 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2C[C@H](C)C[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000775111277 623232316 /nfs/dbraw/zinc/23/23/16/623232316.db2.gz OAJYHSDIPFSPFN-GRYCIOLGSA-N 0 0 308.378 3.175 20 10 DGCDRN COc1c([O-])c(C[N@H+](CC2CCC2)C(C)C)ccc1[N+](=O)[O-] ZINC000775178540 623238347 /nfs/dbraw/zinc/23/83/47/623238347.db2.gz UZUZRUBHROQMHO-UHFFFAOYSA-N 0 0 308.378 3.320 20 10 DGCDRN CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1Cc1cccc(C)c1O ZINC000775186031 623239173 /nfs/dbraw/zinc/23/91/73/623239173.db2.gz ZIALXWDARBZLNQ-SFHVURJKSA-N 0 0 305.418 3.398 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)CC(C)=C(C)C)CC2)cc1 ZINC000874110288 623240899 /nfs/dbraw/zinc/24/08/99/623240899.db2.gz HYFMKGWFZYPSGP-UHFFFAOYSA-N 0 0 316.445 3.480 20 10 DGCDRN C[C@H](NC(=O)c1cccc(Cl)n1)c1ccc(N(C)C)cc1 ZINC000775407730 623270435 /nfs/dbraw/zinc/27/04/35/623270435.db2.gz UNJUIJRCNFFNEE-NSHDSACASA-N 0 0 303.793 3.292 20 10 DGCDRN C[C@H](NC(=O)c1cccc2[nH]cnc21)c1ccc(N(C)C)cc1 ZINC000775410115 623271374 /nfs/dbraw/zinc/27/13/74/623271374.db2.gz JTUDRCRFAWCJMX-LBPRGKRZSA-N 0 0 308.385 3.120 20 10 DGCDRN C[C@@H](NC(=O)CCc1ccccc1O)c1ccc(N(C)C)cc1 ZINC000775410196 623271398 /nfs/dbraw/zinc/27/13/98/623271398.db2.gz KDLLBCMTAFRWQY-CQSZACIVSA-N 0 0 312.413 3.268 20 10 DGCDRN Cc1ccc(/C=C\C(=O)N2C[C@H](C)Oc3c(F)cccc32)cn1 ZINC000775423364 623273329 /nfs/dbraw/zinc/27/33/29/623273329.db2.gz YQAHGYXKVUZTAF-YXVBKTCISA-N 0 0 312.344 3.356 20 10 DGCDRN CCc1ccnc(C(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000775542150 623286739 /nfs/dbraw/zinc/28/67/39/623286739.db2.gz IORQGZOSSJVDAI-UHFFFAOYSA-N 0 0 310.397 3.158 20 10 DGCDRN C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1cccc(Cl)c1[O-] ZINC000775643013 623300427 /nfs/dbraw/zinc/30/04/27/623300427.db2.gz KYUHTGLQLSGSKA-UHFFFAOYSA-N 0 0 319.788 3.449 20 10 DGCDRN CCN(CC)C(=O)C1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000775665136 623308628 /nfs/dbraw/zinc/30/86/28/623308628.db2.gz YSQRUUXOQRGVPB-UHFFFAOYSA-N 0 0 324.852 3.126 20 10 DGCDRN CC[N@@H+]1C[C@@H](C)N(Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1C ZINC000775711989 623317224 /nfs/dbraw/zinc/31/72/24/623317224.db2.gz LQQBZMCJWZGNBZ-WDEREUQCSA-N 0 0 300.805 3.099 20 10 DGCDRN CC[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])[C@H](CC)CN1C(C)=O ZINC000775720273 623318174 /nfs/dbraw/zinc/31/81/74/623318174.db2.gz KPMKHXMBXUQURR-HUUCEWRRSA-N 0 0 324.852 3.267 20 10 DGCDRN Oc1c(Cl)cccc1CNc1cccc(-c2nc[nH]n2)c1 ZINC000775748616 623324384 /nfs/dbraw/zinc/32/43/84/623324384.db2.gz HUXCQVACZVJFCZ-UHFFFAOYSA-N 0 0 300.749 3.443 20 10 DGCDRN COc1ccc(O)c(CNc2cc(OC)c(OC)cc2F)c1 ZINC000775749933 623325084 /nfs/dbraw/zinc/32/50/84/623325084.db2.gz OSJVAIMULODCCF-UHFFFAOYSA-N 0 0 307.321 3.169 20 10 DGCDRN Cc1nccn1C[C@H](C)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000775905164 623348609 /nfs/dbraw/zinc/34/86/09/623348609.db2.gz HXDZERJLUNULSZ-SNVBAGLBSA-N 0 0 311.788 3.116 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccnn1CC ZINC000776018771 623364922 /nfs/dbraw/zinc/36/49/22/623364922.db2.gz GBEHHQZRCYJGDF-UHFFFAOYSA-N 0 0 302.378 3.053 20 10 DGCDRN CCOc1ccc(O)c(CNc2ccc(N3CCCC3)cn2)c1 ZINC000776036635 623368185 /nfs/dbraw/zinc/36/81/85/623368185.db2.gz OWFBGNNXVXDBDQ-UHFFFAOYSA-N 0 0 313.401 3.398 20 10 DGCDRN CC(C)[C@@H]1CCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000776038227 623369432 /nfs/dbraw/zinc/36/94/32/623369432.db2.gz VWVZSOPETDFLIM-KRWDZBQOSA-N 0 0 301.434 3.227 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H](CCO)c1ccccc1 ZINC000776208778 623397047 /nfs/dbraw/zinc/39/70/47/623397047.db2.gz DPWKZYBDQSWPMR-OAHLLOKOSA-N 0 0 309.768 3.398 20 10 DGCDRN Cc1ccc(NC(=O)c2cccc(O)c2O)cc1N1CCCC1 ZINC000874944258 623399336 /nfs/dbraw/zinc/39/93/36/623399336.db2.gz YSUYGKYZHKACDU-UHFFFAOYSA-N 0 0 312.369 3.259 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCO[C@H](C)C2)cc1 ZINC000776294008 623408432 /nfs/dbraw/zinc/40/84/32/623408432.db2.gz LSSFPRSQTKSFHU-WBVHZDCISA-N 0 0 318.461 3.306 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)[C@@H]3CC[C@H](C)C3)CC2)cc1 ZINC000776308199 623409566 /nfs/dbraw/zinc/40/95/66/623409566.db2.gz HFCCSSWVPQNOBP-JKSUJKDBSA-N 0 0 316.445 3.170 20 10 DGCDRN O=C(NCCc1ccc2ccccc2c1)c1cccc(O)c1O ZINC000776333175 623412837 /nfs/dbraw/zinc/41/28/37/623412837.db2.gz MNQGOMUEEXJTFF-UHFFFAOYSA-N 0 0 307.349 3.224 20 10 DGCDRN C[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)CCO1 ZINC000776342433 623413940 /nfs/dbraw/zinc/41/39/40/623413940.db2.gz GPRNRJWSGKQXHA-RDJZCZTQSA-N 0 0 316.445 3.108 20 10 DGCDRN C[C@H]1CCCC[C@@H]1OCCNC(=O)N1Cc2cccc(O)c2C1 ZINC000875081669 623414183 /nfs/dbraw/zinc/41/41/83/623414183.db2.gz KBXMECSMHYCWLU-GUYCJALGSA-N 0 0 318.417 3.013 20 10 DGCDRN O=C(N[C@H](c1ccccc1)C(F)(F)F)c1cccc(O)c1O ZINC000776350095 623414866 /nfs/dbraw/zinc/41/48/66/623414866.db2.gz IFZZLTBJQXBZRZ-CYBMUJFWSA-N 0 0 311.259 3.131 20 10 DGCDRN O=C(N[C@H]1C[C@H]1c1cccc(F)c1)N1Cc2cccc(O)c2C1 ZINC000875173817 623424223 /nfs/dbraw/zinc/42/42/23/623424223.db2.gz WRNLWPNJNNNNMS-HOCLYGCPSA-N 0 0 312.344 3.113 20 10 DGCDRN Cc1ccc(CNC(=O)NCCCSc2nccs2)o1 ZINC000875375160 623443490 /nfs/dbraw/zinc/44/34/90/623443490.db2.gz XJHZSFZTEBXLSP-UHFFFAOYSA-N 0 0 311.432 3.026 20 10 DGCDRN COc1ccc([C@@H](NC(=O)c2cccc(O)c2O)C(C)C)cc1 ZINC000776612502 623447218 /nfs/dbraw/zinc/44/72/18/623447218.db2.gz CVNDUCOKAFZMMY-INIZCTEOSA-N 0 0 315.369 3.234 20 10 DGCDRN O=C(NCC1(c2ccc(Cl)cc2)CC1)c1cccc(O)c1O ZINC000776645692 623448967 /nfs/dbraw/zinc/44/89/67/623448967.db2.gz QMRCMSZFDLOFPE-UHFFFAOYSA-N 0 0 317.772 3.213 20 10 DGCDRN CCc1cnccc1[C@@H](C)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875455505 623451991 /nfs/dbraw/zinc/45/19/91/623451991.db2.gz PKHDNILJKNRFPL-GFCCVEGCSA-N 0 0 311.385 3.136 20 10 DGCDRN CC[C@H](CC(F)(F)F)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875493653 623455771 /nfs/dbraw/zinc/45/57/71/623455771.db2.gz KMMSGXLSJRBTKA-SNVBAGLBSA-N 0 0 302.296 3.148 20 10 DGCDRN CC(C)C[C@H]1OCCC[C@@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000875509772 623457682 /nfs/dbraw/zinc/45/76/82/623457682.db2.gz ZSAFMZHWLGWLAU-DOTOQJQBSA-N 0 0 318.417 3.011 20 10 DGCDRN Cc1ccc(F)c(CCNC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000875642924 623474656 /nfs/dbraw/zinc/47/46/56/623474656.db2.gz QYWGBPBNKZXRHG-UHFFFAOYSA-N 0 0 314.360 3.108 20 10 DGCDRN O=C(NC[C@@H]1CCC[C@@H]1C1CC1)N1Cc2cccc(O)c2C1 ZINC000875666089 623477138 /nfs/dbraw/zinc/47/71/38/623477138.db2.gz VJCKAHDVDLDGQF-DZGCQCFKSA-N 0 0 300.402 3.244 20 10 DGCDRN O=[N+]([O-])c1cc(Br)cnc1NCc1ccccc1O ZINC000125647445 623507648 /nfs/dbraw/zinc/50/76/48/623507648.db2.gz ZTWVNZHPVLWBOE-UHFFFAOYSA-N 0 0 324.134 3.070 20 10 DGCDRN Cc1c(C[N@@H+](C)Cc2cc(C(C)C)c(C)cc2O)cnn1C ZINC000790418741 625651026 /nfs/dbraw/zinc/65/10/26/625651026.db2.gz YDICALJLWRNYDY-UHFFFAOYSA-N 0 0 301.434 3.498 20 10 DGCDRN COc1cc(N(C)CCOc2ccccc2)cc(OC)c1OC ZINC000125719389 623523936 /nfs/dbraw/zinc/52/39/36/623523936.db2.gz XHPBJLHPLHEQGW-UHFFFAOYSA-N 0 0 317.385 3.228 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NOC2CCCCC2)c1 ZINC000777718312 623560151 /nfs/dbraw/zinc/56/01/51/623560151.db2.gz XRZWOOWTVRWKGO-LLVKDONJSA-N 0 0 308.378 3.025 20 10 DGCDRN Cc1cc(C(=O)N(C)CC[C@H](C)O)c(C)n1-c1ccccc1C ZINC000125838598 623566148 /nfs/dbraw/zinc/56/61/48/623566148.db2.gz XCQJLFBBSZPFTQ-HNNXBMFYSA-N 0 0 314.429 3.245 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@H](F)Cc2ccccc2)cc1F ZINC000777970468 623593438 /nfs/dbraw/zinc/59/34/38/623593438.db2.gz CGYBKMCVMTZMHH-MRXNPFEDSA-N 0 0 318.367 3.089 20 10 DGCDRN COCCC[C@H](C)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000777976351 623594059 /nfs/dbraw/zinc/59/40/59/623594059.db2.gz ONHZCCANFMYNDA-INIZCTEOSA-N 0 0 318.461 3.356 20 10 DGCDRN Cc1cc(C(=O)N(C)C[C@@H](C)O)c(C)n1-c1ccc(Cl)cc1 ZINC000125896562 623595157 /nfs/dbraw/zinc/59/51/57/623595157.db2.gz BDLQGATTYRVYOG-GFCCVEGCSA-N 0 0 320.820 3.200 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)C(C)(C)c2cccnc2)cc1 ZINC000778228112 623628850 /nfs/dbraw/zinc/62/88/50/623628850.db2.gz NKTHEVLYKLDGDY-UHFFFAOYSA-N 0 0 311.429 3.084 20 10 DGCDRN Nc1ccc(CCNC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)cc1 ZINC000876528192 623634337 /nfs/dbraw/zinc/63/43/37/623634337.db2.gz RZAGNXSIIHQFAP-ROUUACIJSA-N 0 0 312.388 3.260 20 10 DGCDRN CCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1c(C)cccc1O ZINC000876532123 623635737 /nfs/dbraw/zinc/63/57/37/623635737.db2.gz YESPUQZAAVLLAR-UHFFFAOYSA-N 0 0 323.396 3.372 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](F)Cc2ccccc2)c1 ZINC000778390174 623651378 /nfs/dbraw/zinc/65/13/78/623651378.db2.gz LOYVJUAZTNXWMX-WBMJQRKESA-N 0 0 317.360 3.159 20 10 DGCDRN Cc1cccc2c1C[C@@H](C(=O)NCc1ccc(N(C)C)cc1C)N2 ZINC000876768403 623700852 /nfs/dbraw/zinc/70/08/52/623700852.db2.gz VLMYXFACNCADKR-IBGZPJMESA-N 0 0 323.440 3.022 20 10 DGCDRN Cc1c2cccc(F)c2oc1C(=O)NCc1ccc(O)c(O)c1 ZINC000778926005 623712119 /nfs/dbraw/zinc/71/21/19/623712119.db2.gz SEYQYLZMUMBMGG-UHFFFAOYSA-N 0 0 315.300 3.222 20 10 DGCDRN COc1cc(OC)c(OC)cc1NCc1ccc(C)cc1O ZINC000876869067 623732811 /nfs/dbraw/zinc/73/28/11/623732811.db2.gz PDOYVMJUUACQHZ-UHFFFAOYSA-N 0 0 303.358 3.339 20 10 DGCDRN [O-]c1c(C[NH2+]C[C@H]2COc3ccccc3C2)ccc(F)c1F ZINC000876875790 623734158 /nfs/dbraw/zinc/73/41/58/623734158.db2.gz AQNYGLPEYAWEQL-NSHDSACASA-N 0 0 305.324 3.011 20 10 DGCDRN [O-]c1c(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)ccc(F)c1F ZINC000876888103 623737385 /nfs/dbraw/zinc/73/73/85/623737385.db2.gz OVRLMENPPBMFJK-AWEZNQCLSA-N 0 0 322.355 3.190 20 10 DGCDRN CN(C)CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])C1CCCC1 ZINC000779170611 623738118 /nfs/dbraw/zinc/73/81/18/623738118.db2.gz DDNANMXEZMXLLE-UHFFFAOYSA-N 0 0 314.832 3.491 20 10 DGCDRN Nc1ccc(CC(=O)NCC2CCc3ccccc3CC2)cc1 ZINC000876990836 623761408 /nfs/dbraw/zinc/76/14/08/623761408.db2.gz NUEZEPNKXHUXJX-UHFFFAOYSA-N 0 0 308.425 3.123 20 10 DGCDRN Nc1ccc(Cc2nc(C(=O)NCC3CC=CC3)cs2)cc1 ZINC000877000355 623763319 /nfs/dbraw/zinc/76/33/19/623763319.db2.gz NJIQHYOQWBSVCA-UHFFFAOYSA-N 0 0 313.426 3.012 20 10 DGCDRN [O-]c1c(C[NH2+][C@H]2CCOc3ccc(F)cc32)ccc(F)c1F ZINC000877008957 623765029 /nfs/dbraw/zinc/76/50/29/623765029.db2.gz ZCHRTMAMYGMQEH-ZDUSSCGKSA-N 0 0 309.287 3.423 20 10 DGCDRN COC(=O)CC1([NH2+]Cc2cccc(Cl)c2[O-])CCCCC1 ZINC000779431642 623769335 /nfs/dbraw/zinc/76/93/35/623769335.db2.gz ALCIGGWFQNVBHT-UHFFFAOYSA-N 0 0 311.809 3.401 20 10 DGCDRN Cc1ncc(/C=C/C(=O)N2CCCOc3ccccc32)s1 ZINC000779452451 623771783 /nfs/dbraw/zinc/77/17/83/623771783.db2.gz XJXWZADSBYZGHK-BQYQJAHWSA-N 0 0 300.383 3.280 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(O)c(C)c1 ZINC000779483359 623774232 /nfs/dbraw/zinc/77/42/32/623774232.db2.gz YIBCKLDCOVKGTR-UHFFFAOYSA-N 0 0 312.413 3.429 20 10 DGCDRN CN(Cc1ccc(F)cc1F)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779492752 623775037 /nfs/dbraw/zinc/77/50/37/623775037.db2.gz JPGFDDNRZMULDI-XVNBXDOJSA-N 0 0 319.307 3.048 20 10 DGCDRN C[C@]1(NC(=O)/C=C\c2ccc(O)c(O)c2)CCCc2ccccc21 ZINC000779509725 623776040 /nfs/dbraw/zinc/77/60/40/623776040.db2.gz HKSFKUSFBHLNHZ-XADARROHSA-N 0 0 323.392 3.479 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCc2ccc(F)cc21 ZINC000779513123 623776810 /nfs/dbraw/zinc/77/68/10/623776810.db2.gz DTJGPTLSYMBETO-HTUWBFOXSA-N 0 0 313.328 3.054 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CSc2ccccc21 ZINC000779517446 623776840 /nfs/dbraw/zinc/77/68/40/623776840.db2.gz BDNWEWGZKDKFAN-WOLRVDTOSA-N 0 0 313.378 3.074 20 10 DGCDRN C[C@@H]1CCCC[C@@H]1CCNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779519421 623776861 /nfs/dbraw/zinc/77/68/61/623776861.db2.gz DCLNWKUXFWMKBP-VVDJSUPNSA-N 0 0 303.402 3.444 20 10 DGCDRN C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779527186 623777171 /nfs/dbraw/zinc/77/71/71/623777171.db2.gz CNHCIJSXXZVVTK-FROLJDDGSA-N 0 0 303.402 3.442 20 10 DGCDRN Cc1ccc(CC[C@@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)o1 ZINC000779523449 623777332 /nfs/dbraw/zinc/77/73/32/623777332.db2.gz BZJIUMWYNHOWEP-XTOZHPGHSA-N 0 0 315.369 3.150 20 10 DGCDRN CCC(CC)n1nc(C)cc1C(=O)N(C)c1ccc(N)cc1 ZINC000877075322 623785190 /nfs/dbraw/zinc/78/51/90/623785190.db2.gz CMIFRJIDMDJACZ-UHFFFAOYSA-N 0 0 300.406 3.411 20 10 DGCDRN COc1ccc(OC(C)(C)C(=O)N(C)c2ccc(N)cc2)cc1 ZINC000877074261 623785232 /nfs/dbraw/zinc/78/52/32/623785232.db2.gz FBJKSFRUAJQFPZ-UHFFFAOYSA-N 0 0 314.385 3.098 20 10 DGCDRN C[C@@H](NC(=O)N1CC2(C1)CCCC2)c1ccc(N(C)C)cc1 ZINC000779659930 623785448 /nfs/dbraw/zinc/78/54/48/623785448.db2.gz CPOGTAGATMHZHR-CQSZACIVSA-N 0 0 301.434 3.399 20 10 DGCDRN O=C(/C=C/c1cncc(O)c1)N1CC2(CCC2)c2c1cccc2F ZINC000779660208 623785499 /nfs/dbraw/zinc/78/54/99/623785499.db2.gz AYHHMLJMWSJJBS-AATRIKPKSA-N 0 0 324.355 3.408 20 10 DGCDRN Cc1noc2nc(C3CC3)cc(C(=O)N(C)c3ccc(N)cc3)c12 ZINC000877080754 623786346 /nfs/dbraw/zinc/78/63/46/623786346.db2.gz OPRZNFZBFNCJRT-UHFFFAOYSA-N 0 0 322.368 3.267 20 10 DGCDRN Cc1cnc(C(=O)NCc2ccc(N3CCCC3)cc2)c(C)c1 ZINC000779877227 623825554 /nfs/dbraw/zinc/82/55/54/623825554.db2.gz HAJHPNHQPQRHHZ-UHFFFAOYSA-N 0 0 309.413 3.229 20 10 DGCDRN Cc1cnc(C(=O)NCc2ccc3c(c2)CCCN3C)c(C)c1 ZINC000779885701 623826199 /nfs/dbraw/zinc/82/61/99/623826199.db2.gz YYMXYNDNASISCV-UHFFFAOYSA-N 0 0 309.413 3.011 20 10 DGCDRN CCC[C@H]1C[C@H](C(=O)NCc2ccc(N(C)C)cc2C)CCO1 ZINC000779916579 623832576 /nfs/dbraw/zinc/83/25/76/623832576.db2.gz UMHDURKBNNKSRZ-QAPCUYQASA-N 0 0 318.461 3.273 20 10 DGCDRN CCOC(=O)COc1ccc(NCc2ccc(C)cc2O)cc1 ZINC000877325825 623853210 /nfs/dbraw/zinc/85/32/10/623853210.db2.gz ZKTBBUQSOSNMMZ-UHFFFAOYSA-N 0 0 315.369 3.255 20 10 DGCDRN Cc1ccc(CN2CCSC[C@@H]2c2nccs2)c(O)c1 ZINC000877404350 623870921 /nfs/dbraw/zinc/87/09/21/623870921.db2.gz CIAZEIVQNWKWFX-CYBMUJFWSA-N 0 0 306.456 3.447 20 10 DGCDRN CC(C)c1ncc(C[N@H+](C)Cc2ccc(F)c(F)c2[O-])cn1 ZINC000877499864 623913294 /nfs/dbraw/zinc/91/32/94/623913294.db2.gz VYCCQUGDMRZLSL-UHFFFAOYSA-N 0 0 307.344 3.216 20 10 DGCDRN CC(C)[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000780360035 623916653 /nfs/dbraw/zinc/91/66/53/623916653.db2.gz NNQOQKYJVBERMV-HNNXBMFYSA-N 0 0 321.440 3.469 20 10 DGCDRN Cc1ccc([C@@H](O)[C@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])cc1 ZINC000877516913 623919966 /nfs/dbraw/zinc/91/99/66/623919966.db2.gz GJBFUOAPZMRJOU-ZBEGNZNMSA-N 0 0 307.340 3.191 20 10 DGCDRN CCS(=O)(=O)Cc1ccc(NCc2ccc(C)cc2O)cc1 ZINC000877576023 623949211 /nfs/dbraw/zinc/94/92/11/623949211.db2.gz HOAIRIZUOKZZNG-UHFFFAOYSA-N 0 0 319.426 3.247 20 10 DGCDRN C[C@@H]([NH2+]C[C@](C)(O)C1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000790703838 625688242 /nfs/dbraw/zinc/68/82/42/625688242.db2.gz UQIUGPIBIKKEMV-PXAZEXFGSA-N 0 0 322.405 3.282 20 10 DGCDRN COc1ccccc1C1([NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877605939 623959845 /nfs/dbraw/zinc/95/98/45/623959845.db2.gz XZLKCKZGSRHORA-UHFFFAOYSA-N 0 0 305.324 3.458 20 10 DGCDRN C[C@H](O)[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccccc1F ZINC000877611750 623962374 /nfs/dbraw/zinc/96/23/74/623962374.db2.gz ZAXYVPRNGBDDCP-VFZGTOFNSA-N 0 0 311.303 3.021 20 10 DGCDRN Cc1ccc(C(C)(C)C[NH2+]Cc2ccc(F)c(F)c2[O-])nc1 ZINC000877654459 623979731 /nfs/dbraw/zinc/97/97/31/623979731.db2.gz YHMRVLDRFKXXHH-UHFFFAOYSA-N 0 0 306.356 3.441 20 10 DGCDRN Cc1ccc2c(c1)CCN2Cc1ccc(N2CCOCC2)cc1 ZINC000780768685 623981595 /nfs/dbraw/zinc/98/15/95/623981595.db2.gz CGFHKXKXYIHCER-UHFFFAOYSA-N 0 0 308.425 3.394 20 10 DGCDRN CC[C@@H]1C[C@H](CN(C)c2cc(OC)c(OC)c(OC)c2)CCO1 ZINC000780775255 623982046 /nfs/dbraw/zinc/98/20/46/623982046.db2.gz SUQXLKJCOMEBBZ-UKRRQHHQSA-N 0 0 323.433 3.354 20 10 DGCDRN CN(Cc1cccc2c1OCCCO2)c1ccc2c(c1)OCO2 ZINC000780778974 623982202 /nfs/dbraw/zinc/98/22/02/623982202.db2.gz ZPIVNZNBEGCQQQ-UHFFFAOYSA-N 0 0 313.353 3.213 20 10 DGCDRN CSC1CC[NH+](Cc2cccc(Br)c2[O-])CC1 ZINC000877663402 623983394 /nfs/dbraw/zinc/98/33/94/623983394.db2.gz QJLUBGKRUPWXKX-UHFFFAOYSA-N 0 0 316.264 3.482 20 10 DGCDRN C[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])CC1(C)OCCO1 ZINC000877670669 623985089 /nfs/dbraw/zinc/98/50/89/623985089.db2.gz UPUTWHDMQWVSGT-SNVBAGLBSA-N 0 0 317.788 3.064 20 10 DGCDRN Cc1ccc(C(=O)N(C)Cc2c(F)cccc2Cl)c(O)c1O ZINC000780853580 623989609 /nfs/dbraw/zinc/98/96/09/623989609.db2.gz GGFQXHQFCKWJOA-UHFFFAOYSA-N 0 0 323.751 3.471 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCC2CC(C)(C)C2)c1 ZINC000780873615 623992706 /nfs/dbraw/zinc/99/27/06/623992706.db2.gz OUILSMILKGFQBO-NSHDSACASA-N 0 0 306.406 3.197 20 10 DGCDRN Cc1ccc(CN(C(=O)c2ccc(C)c(O)c2O)C2CC2)o1 ZINC000780896667 623995577 /nfs/dbraw/zinc/99/55/77/623995577.db2.gz QKEBEAZWEOSIHM-UHFFFAOYSA-N 0 0 301.342 3.112 20 10 DGCDRN Cc1ccc(C(=O)N2CCCc3sccc3C2)c(O)c1O ZINC000780934704 624000858 /nfs/dbraw/zinc/00/08/58/624000858.db2.gz ZFWNZJKNNIPAKX-UHFFFAOYSA-N 0 0 303.383 3.056 20 10 DGCDRN CC/C(C)=C(/C)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000780966308 624005648 /nfs/dbraw/zinc/00/56/48/624005648.db2.gz ZFFUWPKPYARPES-YPKPFQOOSA-N 0 0 320.408 3.229 20 10 DGCDRN C[C@@H](NC(=O)/C=C/c1cccc(O)c1)c1ccc(N(C)C)cc1 ZINC000781036180 624012308 /nfs/dbraw/zinc/01/23/08/624012308.db2.gz NVKJOHPAVXGLKQ-WEKMIXOTSA-N 0 0 310.397 3.349 20 10 DGCDRN CC1(C)CCc2onc(C[NH2+]Cc3ccc(F)c(F)c3[O-])c2C1 ZINC000877810576 624042119 /nfs/dbraw/zinc/04/21/19/624042119.db2.gz WSDSRENKMJFKNQ-UHFFFAOYSA-N 0 0 322.355 3.463 20 10 DGCDRN O=C(N[C@H]1C[C@@H]1c1c(F)cccc1Cl)c1cccc(O)c1O ZINC000790767474 625694427 /nfs/dbraw/zinc/69/44/27/625694427.db2.gz LJSCYFBWTYDNJW-CABZTGNLSA-N 0 0 321.735 3.176 20 10 DGCDRN CC(C)n1cc2ccc(NC(=O)c3cccc(O)c3O)cc2n1 ZINC000790766751 625694780 /nfs/dbraw/zinc/69/47/80/625694780.db2.gz FBNDDHKQUWIACL-UHFFFAOYSA-N 0 0 311.341 3.281 20 10 DGCDRN CN(C)c1ccc([C@@H]2NC(C)(C)C(=O)N2CC(C)(C)C)cc1F ZINC000877856544 624070368 /nfs/dbraw/zinc/07/03/68/624070368.db2.gz DRDPHLPIPPHBEE-OAHLLOKOSA-N 0 0 321.440 3.147 20 10 DGCDRN CCc1cc(=O)c2cc(NC(=O)C3=CC(=O)CS3)ccc2[nH]1 ZINC000781432461 624071029 /nfs/dbraw/zinc/07/10/29/624071029.db2.gz KMRMKXZWEJLSTE-UHFFFAOYSA-N 0 0 314.366 3.110 20 10 DGCDRN CC(C)(C)CN1C(=O)C(C)(C)N[C@H]1c1cc(Cl)ccc1O ZINC000877857402 624071519 /nfs/dbraw/zinc/07/15/19/624071519.db2.gz QPMDQKHZWILKJN-CYBMUJFWSA-N 0 0 310.825 3.301 20 10 DGCDRN Cc1cc(O)c([C@@H]2NC(=O)c3cc(F)c(F)cc3N2)cc1Cl ZINC000877861315 624072639 /nfs/dbraw/zinc/07/26/39/624072639.db2.gz YXBFIRSDEUYDFL-AWEZNQCLSA-N 0 0 324.714 3.486 20 10 DGCDRN C[C@@H]1CC[C@]2(CCN(C(=O)NCc3ccc(N(C)C)cc3)C2)C1 ZINC000781610059 624104083 /nfs/dbraw/zinc/10/40/83/624104083.db2.gz QYJSXZALQUSLOG-BEFAXECRSA-N 0 0 315.461 3.474 20 10 DGCDRN CC[C@@H]1C[C@H](CC(=O)NCc2ccc(N(C)C)cc2C)CCO1 ZINC000781642489 624113421 /nfs/dbraw/zinc/11/34/21/624113421.db2.gz QZOIDPFXUPKHMH-CRAIPNDOSA-N 0 0 318.461 3.273 20 10 DGCDRN CCOc1ccc(N(C)C[C@@H]2CC3(CO2)CCOCC3)cc1 ZINC000878124605 624179982 /nfs/dbraw/zinc/17/99/82/624179982.db2.gz IVMNEXNCWXYNBM-KRWDZBQOSA-N 0 0 305.418 3.107 20 10 DGCDRN CSCCCCCCNC(=S)NCc1ccccc1O ZINC000782202570 624219475 /nfs/dbraw/zinc/21/94/75/624219475.db2.gz RJIPSBXPZTWIFE-UHFFFAOYSA-N 0 0 312.504 3.280 20 10 DGCDRN CC(=O)CN(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000878233717 624222897 /nfs/dbraw/zinc/22/28/97/624222897.db2.gz WQTLZTMTFPUELH-UHFFFAOYSA-N 0 0 303.383 3.115 20 10 DGCDRN C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)[C@H]2CCCC[C@H]12 ZINC000782252162 624227433 /nfs/dbraw/zinc/22/74/33/624227433.db2.gz VHVFVTJFGQMIHY-OLMNPRSZSA-N 0 0 315.461 3.473 20 10 DGCDRN Oc1ccccc1CNc1nn2cc(-c3cccnc3)nc2s1 ZINC000782307082 624236906 /nfs/dbraw/zinc/23/69/06/624236906.db2.gz MHZWKPXVMONKCU-UHFFFAOYSA-N 0 0 323.381 3.171 20 10 DGCDRN CN(Cc1cncn1Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000782522820 624259644 /nfs/dbraw/zinc/25/96/44/624259644.db2.gz KBRLBIMVYXQARH-UHFFFAOYSA-N 0 0 321.380 3.297 20 10 DGCDRN CSCc1cccc(CNC(=O)NCc2ccccc2O)c1 ZINC000782638794 624269868 /nfs/dbraw/zinc/26/98/68/624269868.db2.gz RVMLEZFWNMJYFA-UHFFFAOYSA-N 0 0 316.426 3.255 20 10 DGCDRN Cc1cccnc1NC(=O)CN(C)c1ccc(OC(C)C)cc1 ZINC000878513126 624295274 /nfs/dbraw/zinc/29/52/74/624295274.db2.gz VLLJALNTPSGTGX-UHFFFAOYSA-N 0 0 313.401 3.252 20 10 DGCDRN C[C@@H](CC(=O)OCC(=O)c1ccc(O)c(O)c1)CC(C)(C)C ZINC000783063931 624306281 /nfs/dbraw/zinc/30/62/81/624306281.db2.gz VZOAIOLOATWQGO-NSHDSACASA-N 0 0 308.374 3.286 20 10 DGCDRN COc1ccc(N(Cc2cnnn2C)Cc2ccccc2)cc1 ZINC000127221186 624316655 /nfs/dbraw/zinc/31/66/55/624316655.db2.gz UHDOQUFWOMJZAF-UHFFFAOYSA-N 0 0 308.385 3.031 20 10 DGCDRN COc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000783331290 624338274 /nfs/dbraw/zinc/33/82/74/624338274.db2.gz PJKFWSUUGNSRRU-MNOVXSKESA-N 0 0 317.345 3.116 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)CC[C@@H]2CC(C)(C)CO2)c1 ZINC000878730599 624350083 /nfs/dbraw/zinc/35/00/83/624350083.db2.gz MOAFIKVQUZASHV-TZMCWYRMSA-N 0 0 321.417 3.173 20 10 DGCDRN C[C@@H](CC1CCCC1)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783672655 624382010 /nfs/dbraw/zinc/38/20/10/624382010.db2.gz IVTWMQOVMOFSST-NSHDSACASA-N 0 0 306.358 3.040 20 10 DGCDRN COc1ccc2c(c1)CCCN2C(=O)/C=C\c1cnccc1C ZINC000783840103 624399624 /nfs/dbraw/zinc/39/96/24/624399624.db2.gz UYDIDMFEEBGWSZ-YVMONPNESA-N 0 0 308.381 3.391 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H](CC(F)(F)F)C(C)C)c(O)c1O ZINC000783870643 624402881 /nfs/dbraw/zinc/40/28/81/624402881.db2.gz YFOWKQBUTYUALB-JTQLQIEISA-N 0 0 305.296 3.113 20 10 DGCDRN C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000790934592 625717782 /nfs/dbraw/zinc/71/77/82/625717782.db2.gz NRZXYHORKYGJCC-GWCFXTLKSA-N 0 0 301.789 3.310 20 10 DGCDRN Cc1ccncc1/C=C\C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000783975475 624415477 /nfs/dbraw/zinc/41/54/77/624415477.db2.gz AHVPMIRDCMBOBQ-ALCCZGGFSA-N 0 0 323.352 3.291 20 10 DGCDRN CCN(C(=O)/C=C/c1cnccc1C)c1ccccc1C(=O)OC ZINC000784005815 624419926 /nfs/dbraw/zinc/41/99/26/624419926.db2.gz AFZXTKXWQBSILS-MDZDMXLPSA-N 0 0 324.380 3.243 20 10 DGCDRN CCOc1ccc(N(CC2CC2)C[C@@H]2CC3(CC3)C(=O)O2)cc1 ZINC000879117637 624431265 /nfs/dbraw/zinc/43/12/65/624431265.db2.gz YOUJXKKLIVXSBX-KRWDZBQOSA-N 0 0 315.413 3.397 20 10 DGCDRN CC[C@@H](C(=O)NCc1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000127535206 624437354 /nfs/dbraw/zinc/43/73/54/624437354.db2.gz LXDZFXLLBAJKEL-CQSZACIVSA-N 0 0 303.333 3.047 20 10 DGCDRN O=C(/C=C/c1ccc(O)cc1)NCc1c(O)ccc2c1CCCC2 ZINC000127537474 624437879 /nfs/dbraw/zinc/43/78/79/624437879.db2.gz SFFKOHOUGCGRGK-KPKJPENVSA-N 0 0 323.392 3.306 20 10 DGCDRN COc1cccc([C@@H](C)OC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000784285804 624480864 /nfs/dbraw/zinc/48/08/64/624480864.db2.gz DSHXJAMGVRABTD-YPUOHESYSA-N 0 0 314.337 3.424 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCc1csc(C2CC2)n1 ZINC000784288001 624482494 /nfs/dbraw/zinc/48/24/94/624482494.db2.gz WQFUECHZEQLFQN-KXFIGUGUSA-N 0 0 317.366 3.188 20 10 DGCDRN C[C@H]1C[C@@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CO1 ZINC000784312009 624494147 /nfs/dbraw/zinc/49/41/47/624494147.db2.gz HYHIZAHAUVXPPJ-DOTOQJQBSA-N 0 0 316.445 3.060 20 10 DGCDRN CCS[C@@H](C)c1noc(CN[C@H](C)c2ccccc2O)n1 ZINC000879648611 624621370 /nfs/dbraw/zinc/62/13/70/624621370.db2.gz WGIXGMFBBCWMIG-MNOVXSKESA-N 0 0 307.419 3.440 20 10 DGCDRN Cc1cc(C(=O)OCCC2(O)CC2)c(C)n1-c1ccc(F)cc1 ZINC000785645888 624706693 /nfs/dbraw/zinc/70/66/93/624706693.db2.gz JDVRUPPVGJIDEI-UHFFFAOYSA-N 0 0 317.360 3.305 20 10 DGCDRN CC[C@@H]([NH2+]Cc1ccnc(N(C)C)n1)c1cccc(Cl)c1[O-] ZINC000806150260 624915074 /nfs/dbraw/zinc/91/50/74/624915074.db2.gz OMHJJJYEJCHRBC-CQSZACIVSA-N 0 0 320.824 3.143 20 10 DGCDRN Cc1cccc(NC(=O)NCCc2ccc(O)c(O)c2)c1C ZINC000128424665 624956233 /nfs/dbraw/zinc/95/62/33/624956233.db2.gz CJTXPMIFFWECIN-UHFFFAOYSA-N 0 0 300.358 3.079 20 10 DGCDRN Cc1sccc1CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000786847892 624958541 /nfs/dbraw/zinc/95/85/41/624958541.db2.gz CXDLGDIRHBVJAY-UHFFFAOYSA-N 0 0 314.454 3.298 20 10 DGCDRN CC(C)[C@H](NCc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000786840328 624958666 /nfs/dbraw/zinc/95/86/66/624958666.db2.gz ILITZJGDLCICBU-HNNXBMFYSA-N 0 0 316.367 3.200 20 10 DGCDRN Cc1c(Cl)cccc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000128464557 624966517 /nfs/dbraw/zinc/96/65/17/624966517.db2.gz RZHSVOZIWYNESF-UHFFFAOYSA-N 0 0 320.776 3.424 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cncc(OC)c1 ZINC000880557043 624978223 /nfs/dbraw/zinc/97/82/23/624978223.db2.gz KRPMFVKNXWJXSO-UHFFFAOYSA-N 0 0 315.373 3.240 20 10 DGCDRN CC(=O)C[C@@H](C)NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000128544576 624993230 /nfs/dbraw/zinc/99/32/30/624993230.db2.gz JDRKKCOWIRCDFM-CYBMUJFWSA-N 0 0 312.413 3.500 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000787401611 625007550 /nfs/dbraw/zinc/00/75/50/625007550.db2.gz PNKPDDPISSWVRU-FVQHAEBGSA-N 0 0 301.434 3.083 20 10 DGCDRN CO[C@H](CC[NH2+]Cc1cc(Cl)cc(F)c1[O-])C(F)(F)F ZINC000787416470 625008626 /nfs/dbraw/zinc/00/86/26/625008626.db2.gz DRMBUEPBDAQDTD-SNVBAGLBSA-N 0 0 315.694 3.242 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2cc(C)cnc2Cl)c1 ZINC000787458865 625013078 /nfs/dbraw/zinc/01/30/78/625013078.db2.gz LOZKIGVQSOOIHX-UHFFFAOYSA-N 0 0 321.764 3.079 20 10 DGCDRN CCc1ccccc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000128582878 625020106 /nfs/dbraw/zinc/02/01/06/625020106.db2.gz QZDBXFSCPWJREH-UHFFFAOYSA-N 0 0 300.358 3.024 20 10 DGCDRN CC(=O)C[C@@H](C)NC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000128620962 625055749 /nfs/dbraw/zinc/05/57/49/625055749.db2.gz GUVFLFQJLLOZQR-CYBMUJFWSA-N 0 0 312.413 3.500 20 10 DGCDRN CCN(C(=O)/C=C\c1cnc(OC)nc1)c1ccc2[nH]ccc2c1 ZINC000788552041 625215684 /nfs/dbraw/zinc/21/56/84/625215684.db2.gz XEIHVYJNVOHBKQ-DAXSKMNVSA-N 0 0 322.368 3.033 20 10 DGCDRN Cc1nccn1CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788584415 625220052 /nfs/dbraw/zinc/22/00/52/625220052.db2.gz OYHKKGIQKJIEMS-JTQLQIEISA-N 0 0 313.323 3.267 20 10 DGCDRN C[C@@H]([NH2+]CC1CCOCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788586232 625221248 /nfs/dbraw/zinc/22/12/48/625221248.db2.gz ZPGJVKWKKULCBN-SNVBAGLBSA-N 0 0 303.324 3.488 20 10 DGCDRN CC(C)N(C)CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788590231 625221678 /nfs/dbraw/zinc/22/16/78/625221678.db2.gz UYTVXVUKIQYAHO-LLVKDONJSA-N 0 0 304.356 3.402 20 10 DGCDRN Cc1cc(C)c([C@@H](C)Nc2ccc(N(C)CCO)cn2)c(O)c1 ZINC000788704161 625248745 /nfs/dbraw/zinc/24/87/45/625248745.db2.gz NBEFUTKTFKEZAV-CQSZACIVSA-N 0 0 315.417 3.006 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000788774368 625262473 /nfs/dbraw/zinc/26/24/73/625262473.db2.gz CREUKYHKKZBQJP-DCAQKATOSA-N 0 0 303.324 3.223 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000790948616 625720522 /nfs/dbraw/zinc/72/05/22/625720522.db2.gz CCAHGVRWYYXLCR-LLVKDONJSA-N 0 0 307.752 3.278 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H](CO)Cc1ccccc1 ZINC000790955221 625722565 /nfs/dbraw/zinc/72/25/65/625722565.db2.gz CQVNJFCFGMMMME-ZDUSSCGKSA-N 0 0 323.795 3.126 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1COc2ccccc2C1 ZINC000790962761 625722972 /nfs/dbraw/zinc/72/29/72/625722972.db2.gz RDLSUDNSBOXDHB-LLVKDONJSA-N 0 0 307.752 3.278 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC1(CCO)CCCC1 ZINC000790971912 625727208 /nfs/dbraw/zinc/72/72/08/625727208.db2.gz YZPWZMBGENEKPZ-UHFFFAOYSA-N 0 0 301.789 3.217 20 10 DGCDRN CCNc1cc(C)ccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000790977733 625728148 /nfs/dbraw/zinc/72/81/48/625728148.db2.gz ROBUVSSQNLOLDZ-RMKNXTFCSA-N 0 0 312.369 3.490 20 10 DGCDRN CC1(C)CN(C(=O)c2cccc(O)c2O)CC[C@@H]1C(F)(F)F ZINC000791125551 625752957 /nfs/dbraw/zinc/75/29/57/625752957.db2.gz GIZTXFVVDTWLGL-NSHDSACASA-N 0 0 317.307 3.148 20 10 DGCDRN COc1ccc(N2CC[C@@H](Nc3nnc(C(C)(C)C)o3)C2)cc1 ZINC000882579062 625759420 /nfs/dbraw/zinc/75/94/20/625759420.db2.gz YKXGENPXIPJPGQ-GFCCVEGCSA-N 0 0 316.405 3.067 20 10 DGCDRN CC[C@@H](C)n1ncc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1C ZINC000791582963 625829655 /nfs/dbraw/zinc/82/96/55/625829655.db2.gz KOLJSAPDPSUTDK-LXSSAFMLSA-N 0 0 315.373 3.226 20 10 DGCDRN CC(C)(C)[C@H](Cn1ccnc1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882910148 625855006 /nfs/dbraw/zinc/85/50/06/625855006.db2.gz LRUFLTROQUFBNG-AWEZNQCLSA-N 0 0 309.360 3.071 20 10 DGCDRN CC(C)Cc1ncc(NC(=O)N(C)Cc2ccccc2O)cn1 ZINC000791948685 625890551 /nfs/dbraw/zinc/89/05/51/625890551.db2.gz GEVBBFIYINTDPB-UHFFFAOYSA-N 0 0 314.389 3.045 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@H](O)c1ccc(F)cc1 ZINC000883003794 625894779 /nfs/dbraw/zinc/89/47/79/625894779.db2.gz HXONSJOEPJETFI-VFZGTOFNSA-N 0 0 311.303 3.021 20 10 DGCDRN COC[C@H](Cc1ccccc1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883027920 625901847 /nfs/dbraw/zinc/90/18/47/625901847.db2.gz UGJJGIUQHSWRJV-HNNXBMFYSA-N 0 0 307.340 3.018 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2[C@H](C)C[C@@H]2C)cc1F ZINC000792079278 625908018 /nfs/dbraw/zinc/90/80/18/625908018.db2.gz IYMPVRZKZLJVSL-BETUJISGSA-N 0 0 307.413 3.364 20 10 DGCDRN CC(C)(C)C[N@H+](CCCO)Cc1c([O-])ccc(Cl)c1F ZINC000792167240 625918166 /nfs/dbraw/zinc/91/81/66/625918166.db2.gz FTDNVDDBMICECP-UHFFFAOYSA-N 0 0 303.805 3.415 20 10 DGCDRN CO[C@H]1Cc2ccc(NCc3cc(F)cc(F)c3O)cc2C1 ZINC000883086617 625922341 /nfs/dbraw/zinc/92/23/41/625922341.db2.gz AJVZYFVASLJTSY-HNNXBMFYSA-N 0 0 305.324 3.396 20 10 DGCDRN C[C@](O)(CC[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000883093733 625925422 /nfs/dbraw/zinc/92/54/22/625925422.db2.gz FQONXOBTYJVRAF-KRWDZBQOSA-N 0 0 307.340 3.058 20 10 DGCDRN Cc1ccc([C@@H](O)[C@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC000883117726 625932581 /nfs/dbraw/zinc/93/25/81/625932581.db2.gz GPBYCCBEOMMWRZ-ZBEGNZNMSA-N 0 0 307.340 3.191 20 10 DGCDRN Cc1ccc([C@@H](O)[C@@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC000883117724 625932999 /nfs/dbraw/zinc/93/29/99/625932999.db2.gz GPBYCCBEOMMWRZ-BZNIZROVSA-N 0 0 307.340 3.191 20 10 DGCDRN Cc1cc(NCc2cc(F)cc(F)c2O)nn1CC(F)(F)F ZINC000883147390 625942282 /nfs/dbraw/zinc/94/22/82/625942282.db2.gz TZZQVADKASKZBU-UHFFFAOYSA-N 0 0 321.249 3.350 20 10 DGCDRN CCc1ccc([C@@H]2CN(C(=O)C3=CC(=O)CS3)CCO2)cc1 ZINC000792508651 625950532 /nfs/dbraw/zinc/95/05/32/625950532.db2.gz AANHPQMVZSAQBB-HNNXBMFYSA-N 0 0 317.410 3.230 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000883180429 625957310 /nfs/dbraw/zinc/95/73/10/625957310.db2.gz CJQASOLDAUMDJB-NUEKZKHPSA-N 0 0 305.299 3.237 20 10 DGCDRN Cc1cc(C(=O)NC(C)(C)C(F)F)c(C)n1-c1ccccn1 ZINC000792593551 625962888 /nfs/dbraw/zinc/96/28/88/625962888.db2.gz ACDBBAYTVXVJMZ-UHFFFAOYSA-N 0 0 307.344 3.263 20 10 DGCDRN O=C(N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1)c1cccc(O)c1O ZINC000792630967 625968644 /nfs/dbraw/zinc/96/86/44/625968644.db2.gz XQKZLKWZFBGWFL-TZMCWYRMSA-N 0 0 315.344 3.303 20 10 DGCDRN Cc1oc(C2CC2)nc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000796502434 626056725 /nfs/dbraw/zinc/05/67/25/626056725.db2.gz SHVXAZUIDHTLJA-UHFFFAOYSA-N 0 0 313.401 3.165 20 10 DGCDRN CC[C@@H]([NH2+][C@H](CO)c1ccccc1OC)c1ccc(F)cc1[O-] ZINC000796818468 626086056 /nfs/dbraw/zinc/08/60/56/626086056.db2.gz UTHJHTZNBBGNRD-HZPDHXFCSA-N 0 0 319.376 3.314 20 10 DGCDRN COc1ccc(CNC(=O)Nc2cccc(SC)c2)c(O)c1 ZINC000797606690 626159614 /nfs/dbraw/zinc/15/96/14/626159614.db2.gz LCEDUYZCHJZBQB-UHFFFAOYSA-N 0 0 318.398 3.444 20 10 DGCDRN CCCc1cnc(NC(=O)NCc2ccc(OC)cc2O)s1 ZINC000797640142 626161890 /nfs/dbraw/zinc/16/18/90/626161890.db2.gz IXQAPXPRJVUDFB-UHFFFAOYSA-N 0 0 321.402 3.132 20 10 DGCDRN Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccccc3F)C2)c(O)c1O ZINC000798021434 626190004 /nfs/dbraw/zinc/19/00/04/626190004.db2.gz RFQFXHNQWQRDLI-HAQNSBGRSA-N 0 0 315.344 3.221 20 10 DGCDRN c1csc(Sc2nnc(-c3ccncc3)n2C2CC2)n1 ZINC000798190321 626200784 /nfs/dbraw/zinc/20/07/84/626200784.db2.gz PNMSNCMCTXRBOI-UHFFFAOYSA-N 0 0 301.400 3.283 20 10 DGCDRN COc1ccc(N(C)CCCNC(=O)OC(C)(C)C)c(OC)c1 ZINC000798195280 626201235 /nfs/dbraw/zinc/20/12/35/626201235.db2.gz GAYKVFLEUUFKIC-UHFFFAOYSA-N 0 0 324.421 3.055 20 10 DGCDRN CCC(C)(C)N(C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000798422772 626217351 /nfs/dbraw/zinc/21/73/51/626217351.db2.gz LJQYMLSVBPLSRG-UHFFFAOYSA-N 0 0 319.449 3.058 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCc1cnc2ccccc2c1 ZINC000798638580 626233793 /nfs/dbraw/zinc/23/37/93/626233793.db2.gz UIMHUNLEWGQXAM-SOFGYWHQSA-N 0 0 321.332 3.403 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CC=CCC2)c1 ZINC000103611359 626245218 /nfs/dbraw/zinc/24/52/18/626245218.db2.gz KFNMDKFDFRGFOU-QWHCGFSZSA-N 0 0 304.390 3.117 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CC=CCC2)c1 ZINC000103611356 626245406 /nfs/dbraw/zinc/24/54/06/626245406.db2.gz KFNMDKFDFRGFOU-OLZOCXBDSA-N 0 0 304.390 3.117 20 10 DGCDRN Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)ccn1C ZINC000798880239 626253770 /nfs/dbraw/zinc/25/37/70/626253770.db2.gz IFKHPKQSORDDIB-UHFFFAOYSA-N 0 0 311.429 3.204 20 10 DGCDRN C[C@H]([NH2+]C[C@H](CO)CC1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000798937658 626261250 /nfs/dbraw/zinc/26/12/50/626261250.db2.gz NQOKREGYVSCXTF-GXTWGEPZSA-N 0 0 322.405 3.140 20 10 DGCDRN CO[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000799383216 626297542 /nfs/dbraw/zinc/29/75/42/626297542.db2.gz GRQFUCISXUIMBE-JJRVBVJISA-N 0 0 319.449 3.023 20 10 DGCDRN COc1cc(CN2CCC=C(Br)C2)c(O)cc1C ZINC000799573919 626310886 /nfs/dbraw/zinc/31/08/86/626310886.db2.gz JNOQIWNBBARMNG-UHFFFAOYSA-N 0 0 312.207 3.194 20 10 DGCDRN C[C@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000799729384 626325280 /nfs/dbraw/zinc/32/52/80/626325280.db2.gz LILUGKGEVVGEHF-BBRMVZONSA-N 0 0 303.377 3.176 20 10 DGCDRN C[C@@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000799729386 626325294 /nfs/dbraw/zinc/32/52/94/626325294.db2.gz LILUGKGEVVGEHF-CJNGLKHVSA-N 0 0 303.377 3.176 20 10 DGCDRN CSc1ccccc1[C@H](C)NC(=O)c1cccc(O)c1O ZINC000799741375 626327080 /nfs/dbraw/zinc/32/70/80/626327080.db2.gz LWFVMFCUNRZOSJ-JTQLQIEISA-N 0 0 303.383 3.311 20 10 DGCDRN O=C(COc1ccsc1)NCc1ccc(N2CCCC2)cc1 ZINC000800322430 626351701 /nfs/dbraw/zinc/35/17/01/626351701.db2.gz AVMRXPMQDJKPBD-UHFFFAOYSA-N 0 0 316.426 3.044 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)cc1F ZINC000800331569 626352051 /nfs/dbraw/zinc/35/20/51/626352051.db2.gz YNSSFUHJAUJNCN-IIYDPXPESA-N 0 0 322.424 3.102 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2C(F)F)c1O ZINC000800445797 626360933 /nfs/dbraw/zinc/36/09/33/626360933.db2.gz YYBATCFMDTYUDD-CYBMUJFWSA-N 0 0 301.308 3.354 20 10 DGCDRN CC(C)OC[C@@H](C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000800525645 626366336 /nfs/dbraw/zinc/36/63/36/626366336.db2.gz VZEXOWAWQIEGDO-SNVBAGLBSA-N 0 0 302.212 3.058 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CC[C@H]1CCCO1 ZINC000839914810 626370055 /nfs/dbraw/zinc/37/00/55/626370055.db2.gz BWFSJILERMIOLJ-MAUKXSAKSA-N 0 0 318.461 3.067 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccncc1C ZINC000839918821 626372570 /nfs/dbraw/zinc/37/25/70/626372570.db2.gz DAFGKOSMBCMOPK-OAHLLOKOSA-N 0 0 311.429 3.125 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCC1CCC(F)(F)CC1 ZINC000800741984 626373004 /nfs/dbraw/zinc/37/30/04/626373004.db2.gz NIRZFLNHLKERBZ-UHFFFAOYSA-N 0 0 312.360 3.359 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1=CC(=O)CS1 ZINC000839920032 626373335 /nfs/dbraw/zinc/37/33/35/626373335.db2.gz ZURLCBNVGUCKFY-GFCCVEGCSA-N 0 0 318.442 3.189 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)COC1(C)CCC1 ZINC000839920887 626376505 /nfs/dbraw/zinc/37/65/05/626376505.db2.gz VIGMRYZEJXLOOF-HNNXBMFYSA-N 0 0 318.461 3.067 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CCCSC1 ZINC000839922666 626379826 /nfs/dbraw/zinc/37/98/26/626379826.db2.gz XWAQRHMYFGTLMM-HOCLYGCPSA-N 0 0 320.502 3.251 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)/C=C/c1ccc[nH]1 ZINC000839922895 626382944 /nfs/dbraw/zinc/38/29/44/626382944.db2.gz ZZGUHMLYIJTTAG-TUPIDYKKSA-N 0 0 311.429 3.150 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1nncs1 ZINC000800913712 626384639 /nfs/dbraw/zinc/38/46/39/626384639.db2.gz LKKZDRUCUXYBBQ-UHFFFAOYSA-N 0 0 306.391 3.078 20 10 DGCDRN O=C(/C=C\c1ccc(Cl)nc1)N1CCc2cc(F)ccc21 ZINC000801076331 626393313 /nfs/dbraw/zinc/39/33/13/626393313.db2.gz HBIYQNUKBOLSHT-KXFIGUGUSA-N 0 0 302.736 3.477 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1O[C@H](C)C[C@@H]1C ZINC000801549370 626409295 /nfs/dbraw/zinc/40/92/95/626409295.db2.gz LPNSAGIFRNINAG-JJRVBVJISA-N 0 0 305.418 3.334 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1ccnc(C)n1 ZINC000801711898 626415651 /nfs/dbraw/zinc/41/56/51/626415651.db2.gz XNADAIXSKMOYKV-UHFFFAOYSA-N 0 0 314.389 3.325 20 10 DGCDRN CCOc1ccc(CNc2ccc(OC(F)F)nc2)c(O)c1 ZINC000801738951 626416566 /nfs/dbraw/zinc/41/65/66/626416566.db2.gz ISQSXQFZXPIUPY-UHFFFAOYSA-N 0 0 310.300 3.399 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@H](C)c2ccsc2)c1 ZINC000802161883 626433984 /nfs/dbraw/zinc/43/39/84/626433984.db2.gz UBXQNSKWWWGDAL-SNVBAGLBSA-N 0 0 306.387 3.023 20 10 DGCDRN CC1(C)CC(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000802839683 626576785 /nfs/dbraw/zinc/57/67/85/626576785.db2.gz MKIOQWNSLUPYRG-INIZCTEOSA-N 0 0 317.429 3.336 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(C)c2F)c1 ZINC000131215578 626608225 /nfs/dbraw/zinc/60/82/25/626608225.db2.gz VXEGXNMRWFQVRH-LLVKDONJSA-N 0 0 303.333 3.339 20 10 DGCDRN CCn1cnnc1NC(=O)c1sccc1-n1c(C)ccc1C ZINC000803530222 626622157 /nfs/dbraw/zinc/62/21/57/626622157.db2.gz GCZMQISATAHNAN-UHFFFAOYSA-N 0 0 315.402 3.019 20 10 DGCDRN COc1ccc2c(c1)N(Cc1cccc(OC)c1O)C[C@H](C)O2 ZINC000131300920 626622807 /nfs/dbraw/zinc/62/28/07/626622807.db2.gz LGXSIOVPVHANGH-LBPRGKRZSA-N 0 0 315.369 3.197 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)Cc2ccc(F)c(F)c2)c1 ZINC000131354891 626628035 /nfs/dbraw/zinc/62/80/35/626628035.db2.gz TZEMXYKPAGWXDF-JTQLQIEISA-N 0 0 321.323 3.099 20 10 DGCDRN COc1ccc(N(C)CC(=O)N2CCC[C@H](C)C2)cc1Cl ZINC000131449375 626640168 /nfs/dbraw/zinc/64/01/68/626640168.db2.gz LLJLGXRSKALZHE-LBPRGKRZSA-N 0 0 310.825 3.043 20 10 DGCDRN C[C@@H](NC1(c2ncccn2)CCC1)c1cc(F)cc(F)c1[O-] ZINC000883312056 626642295 /nfs/dbraw/zinc/64/22/95/626642295.db2.gz SEOUAYOMPMHDQW-SNVBAGLBSA-N 0 0 305.328 3.190 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2occc2[nH]1 ZINC000131510715 626646749 /nfs/dbraw/zinc/64/67/49/626646749.db2.gz MWTYLASSLWHHKG-UHFFFAOYSA-N 0 0 311.385 3.489 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000883357711 626659743 /nfs/dbraw/zinc/65/97/43/626659743.db2.gz RJTJSUFAXXDGCO-YPMHNXCESA-N 0 0 306.362 3.053 20 10 DGCDRN CC[C@@H]([NH2+][C@H](C)COCCOC)c1cccc(Cl)c1[O-] ZINC000806147961 626702629 /nfs/dbraw/zinc/70/26/29/626702629.db2.gz PBCKNCDBMREDMW-BXUZGUMPSA-N 0 0 301.814 3.138 20 10 DGCDRN CCNC(=O)C(C)(C)C[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000806156017 626703054 /nfs/dbraw/zinc/70/30/54/626703054.db2.gz XXHHQSSSOVLZLB-CYBMUJFWSA-N 0 0 312.841 3.249 20 10 DGCDRN C[C@@H](NC(=O)N1CCC[C@H](CF)C1)c1ccc(N(C)C)cc1 ZINC000883582036 626709234 /nfs/dbraw/zinc/70/92/34/626709234.db2.gz LFRFGZRPPAWBCW-ZIAGYGMSSA-N 0 0 307.413 3.205 20 10 DGCDRN CC(=O)c1cc(NC(=O)N(C)Cc2ccccc2O)ccc1F ZINC000806574302 626723450 /nfs/dbraw/zinc/72/34/50/626723450.db2.gz KRINKLWWSGVOCE-UHFFFAOYSA-N 0 0 316.332 3.398 20 10 DGCDRN C[C@H](NC(=O)C(C)(C)C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000806613998 626727498 /nfs/dbraw/zinc/72/74/98/626727498.db2.gz HCNNBHQLZAZCEP-AWEZNQCLSA-N 0 0 316.445 3.137 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cnnn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000806659993 626729448 /nfs/dbraw/zinc/72/94/48/626729448.db2.gz MFLQWJDRZYPKQF-LLVKDONJSA-N 0 0 315.204 3.068 20 10 DGCDRN CCC[C@]1(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCOC1 ZINC000807141847 626747376 /nfs/dbraw/zinc/74/73/76/626747376.db2.gz WPXTVEHVYNVFSD-KSSFIOAISA-N 0 0 319.449 3.072 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCC[C@H]2CCCC2(F)F)c1 ZINC000883842551 626756489 /nfs/dbraw/zinc/75/64/89/626756489.db2.gz VJCOXJSLCHSORO-CYBMUJFWSA-N 0 0 312.360 3.325 20 10 DGCDRN CC[C@H]1CCC[C@@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000132989745 626756799 /nfs/dbraw/zinc/75/67/99/626756799.db2.gz MCKDXLWCCSJZPO-RDJZCZTQSA-N 0 0 303.450 3.473 20 10 DGCDRN C[C@@H]1CN(Cc2cc(Br)ccc2O)CC(C)(C)O1 ZINC000133112943 626766377 /nfs/dbraw/zinc/76/63/77/626766377.db2.gz IXIKTUDKRFRJLJ-SNVBAGLBSA-N 0 0 314.223 3.154 20 10 DGCDRN C[C@@H](CCOCc1ccccc1)NC(=O)C1=CC(=O)CS1 ZINC000807875563 626774087 /nfs/dbraw/zinc/77/40/87/626774087.db2.gz MQNLPLJRQXOBID-LBPRGKRZSA-N 0 0 305.399 3.179 20 10 DGCDRN Cc1cc(C(=O)N2CC(C(F)(F)F)C2)c(C)n1-c1ccccn1 ZINC000807918180 626777384 /nfs/dbraw/zinc/77/73/84/626777384.db2.gz XEOBUFHOWDSQCZ-UHFFFAOYSA-N 0 0 323.318 3.123 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1nccnc1OC(F)F ZINC000807976508 626781605 /nfs/dbraw/zinc/78/16/05/626781605.db2.gz MTWIDOZSVZCEOJ-UHFFFAOYSA-N 0 0 308.332 3.065 20 10 DGCDRN CC[C@H](C)n1c(SCC(=O)C(C)=O)nnc1-c1ccccc1 ZINC000808021139 626787610 /nfs/dbraw/zinc/78/76/10/626787610.db2.gz BCJIDRZNLJXMMH-NSHDSACASA-N 0 0 317.414 3.166 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccccc1OCC ZINC000808093222 626792050 /nfs/dbraw/zinc/79/20/50/626792050.db2.gz KCRQREBWLNEZOU-UHFFFAOYSA-N 0 0 320.385 3.207 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc2cc[nH]c2c1 ZINC000808094726 626792364 /nfs/dbraw/zinc/79/23/64/626792364.db2.gz CHAKRYOHVCCITI-UHFFFAOYSA-N 0 0 315.369 3.289 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1ccccc1 ZINC000808094848 626792509 /nfs/dbraw/zinc/79/25/09/626792509.db2.gz GTOMNDAEBJYPLC-UHFFFAOYSA-N 0 0 304.386 3.127 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C)c(C)c1 ZINC000808094942 626792709 /nfs/dbraw/zinc/79/27/09/626792709.db2.gz KSXHRFQMBTYONA-UHFFFAOYSA-N 0 0 304.386 3.425 20 10 DGCDRN CCCCN(C)C[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000808732916 626855997 /nfs/dbraw/zinc/85/59/97/626855997.db2.gz PAXWTPNVXVMLJS-NWDGAFQWSA-N 0 0 300.393 3.441 20 10 DGCDRN CCO[C@H]1C[C@@H](OC(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000809116688 626884860 /nfs/dbraw/zinc/88/48/60/626884860.db2.gz VBVSJRSWRXUDBT-GASCZTMLSA-N 0 0 314.385 3.213 20 10 DGCDRN C[C@@H](CO)[N@@H+](Cc1cc(Cl)cc(F)c1[O-])CC1CCC1 ZINC000809665514 626934652 /nfs/dbraw/zinc/93/46/52/626934652.db2.gz VGOADMBQXFPUON-JTQLQIEISA-N 0 0 301.789 3.168 20 10 DGCDRN CC[C@@H]1CN(Cc2ccc(N(CC)CC)cc2)C[C@H](C)[S@@]1=O ZINC000809700620 626938918 /nfs/dbraw/zinc/93/89/18/626938918.db2.gz KRHNUBSMTWAHBF-REDKUUPNSA-N 0 0 322.518 3.264 20 10 DGCDRN C[S@@](=O)Cc1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000809718387 626941046 /nfs/dbraw/zinc/94/10/46/626941046.db2.gz JFVVZYCUTSOPIG-OAQYLSRUSA-N 0 0 323.845 3.214 20 10 DGCDRN COC(=O)c1cccc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)c1 ZINC000809729862 626942446 /nfs/dbraw/zinc/94/24/46/626942446.db2.gz QASGTORIYKPPOU-UHFFFAOYSA-N 0 0 323.751 3.261 20 10 DGCDRN COC(=O)CCCCC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000809727266 626942650 /nfs/dbraw/zinc/94/26/50/626942650.db2.gz HBTVHKZJOCQPBU-UHFFFAOYSA-N 0 0 303.761 3.008 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC[C@H](O)c1ccccc1 ZINC000809747075 626946022 /nfs/dbraw/zinc/94/60/22/626946022.db2.gz IDFVDHKZXFFUFM-HNNXBMFYSA-N 0 0 309.768 3.398 20 10 DGCDRN CCN(CCOC)c1cccc(CSc2nccs2)n1 ZINC000809956392 626962284 /nfs/dbraw/zinc/96/22/84/626962284.db2.gz LZWGQVDBVGLWKM-UHFFFAOYSA-N 0 0 309.460 3.303 20 10 DGCDRN CN(C)c1ccc(OCC(=O)N2CCC[C@H]3CCCC[C@H]32)cc1 ZINC000810002001 626967729 /nfs/dbraw/zinc/96/77/29/626967729.db2.gz PUKJQOFNVNJKOW-CRAIPNDOSA-N 0 0 316.445 3.313 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)[C@H]2CCCSC2)C2CC2)cc1 ZINC000810064321 626974319 /nfs/dbraw/zinc/97/43/19/626974319.db2.gz BLGCQNNGWRLEIP-HNNXBMFYSA-N 0 0 318.486 3.387 20 10 DGCDRN CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000810257057 626993734 /nfs/dbraw/zinc/99/37/34/626993734.db2.gz GQQRLOJFGBESKX-VGMNWLOBSA-N 0 0 320.202 3.368 20 10 DGCDRN CC[C@@H]([NH2+][C@H](CCOC)COC)c1cccc(Cl)c1[O-] ZINC000810257998 626993865 /nfs/dbraw/zinc/99/38/65/626993865.db2.gz XUZVCHHPLSZKOC-BXUZGUMPSA-N 0 0 301.814 3.138 20 10 DGCDRN CCc1nnc(CN[C@@H]2C[C@H](C)c3c2c(O)ccc3F)s1 ZINC000810259061 626993985 /nfs/dbraw/zinc/99/39/85/626993985.db2.gz AJHLZOZAJJUFKQ-WCBMZHEXSA-N 0 0 307.394 3.283 20 10 DGCDRN CCCN(CC)C[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000810262543 626994721 /nfs/dbraw/zinc/99/47/21/626994721.db2.gz SDVBBDYUYGXFQD-CHWSQXEVSA-N 0 0 309.410 3.071 20 10 DGCDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1O ZINC000810318087 627000624 /nfs/dbraw/zinc/00/06/24/627000624.db2.gz OXCZTCIWGYDFNS-UHFFFAOYSA-N 0 0 315.329 3.185 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCCSC2)cc1F ZINC000810370667 627003267 /nfs/dbraw/zinc/00/32/67/627003267.db2.gz KEUFCXLUBZWLGZ-AWEZNQCLSA-N 0 0 324.465 3.431 20 10 DGCDRN COc1ccc(CC[NH2+][C@H](C)c2c([O-])cccc2F)cc1OC ZINC000886487448 627152093 /nfs/dbraw/zinc/15/20/93/627152093.db2.gz FDGSAPGXXBODDC-GFCCVEGCSA-N 0 0 319.376 3.442 20 10 DGCDRN COCCOc1ccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)cc1 ZINC000886502569 627154186 /nfs/dbraw/zinc/15/41/86/627154186.db2.gz DJKIJHDVWQWMAW-ZDUSSCGKSA-N 0 0 319.376 3.407 20 10 DGCDRN COCCOc1cccc(C[NH2+][C@H](C)c2c([O-])cccc2F)c1 ZINC000886506558 627154728 /nfs/dbraw/zinc/15/47/28/627154728.db2.gz YXXQUPJZIQULDI-CYBMUJFWSA-N 0 0 319.376 3.407 20 10 DGCDRN C[C@@H]([NH2+]CCN1CCc2sccc2C1)c1c([O-])cccc1F ZINC000886510192 627154932 /nfs/dbraw/zinc/15/49/32/627154932.db2.gz YGQLDLAUEYMGPJ-GFCCVEGCSA-N 0 0 320.433 3.302 20 10 DGCDRN C[C@H]([NH2+]CCN1CCc2sccc2C1)c1c([O-])cccc1F ZINC000886510193 627155046 /nfs/dbraw/zinc/15/50/46/627155046.db2.gz YGQLDLAUEYMGPJ-LBPRGKRZSA-N 0 0 320.433 3.302 20 10 DGCDRN C[C@H](N[C@H](CO)c1c(F)cccc1F)c1c(O)cccc1F ZINC000886547886 627160851 /nfs/dbraw/zinc/16/08/51/627160851.db2.gz SZDWDYZZULCIBA-TVQRCGJNSA-N 0 0 311.303 3.194 20 10 DGCDRN Cc1ccccc1C[C@H](CO)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886597192 627170646 /nfs/dbraw/zinc/17/06/46/627170646.db2.gz YSLBJUXLKUNKGM-UKRRQHHQSA-N 0 0 303.377 3.094 20 10 DGCDRN C[C@@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)NC(=O)OC(C)(C)C ZINC000886603112 627171361 /nfs/dbraw/zinc/17/13/61/627171361.db2.gz HKHZKOXYYANVLT-QWRGUYRKSA-N 0 0 312.385 3.095 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1c([O-])cccc1F ZINC000886607665 627172274 /nfs/dbraw/zinc/17/22/74/627172274.db2.gz WFBHZDJGJXTPDO-SECBINFHSA-N 0 0 312.291 3.379 20 10 DGCDRN C[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1c([O-])cccc1F ZINC000886612492 627173403 /nfs/dbraw/zinc/17/34/03/627173403.db2.gz MKSYYHNFDWHMHM-ZBQZNYHESA-N 0 0 315.388 3.348 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)c1c([O-])cccc1F ZINC000886620655 627174967 /nfs/dbraw/zinc/17/49/67/627174967.db2.gz PKNPLCZCSSEJRI-OGHNNQOOSA-N 0 0 316.376 3.497 20 10 DGCDRN COC(=O)c1cnc([C@H](C)N[C@@H](C)c2c(O)cccc2F)s1 ZINC000886629539 627176660 /nfs/dbraw/zinc/17/66/60/627176660.db2.gz HRWDXTVXBZMKQD-IUCAKERBSA-N 0 0 324.377 3.186 20 10 DGCDRN C[C@H]([NH2+]Cc1cccc2c1CCOC2)c1c([O-])cccc1F ZINC000886646159 627179515 /nfs/dbraw/zinc/17/95/15/627179515.db2.gz AVHDTVSOOALSCF-LBPRGKRZSA-N 0 0 301.361 3.455 20 10 DGCDRN C[C@H]([NH2+]CC[C@@H]1CC(C)(C)CO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000886717979 627197186 /nfs/dbraw/zinc/19/71/86/627197186.db2.gz NHDOPNZTVAHLSN-WCQYABFASA-N 0 0 308.378 3.156 20 10 DGCDRN CC[C@@H](N[C@H](CCO)C(F)(F)F)c1cc(Cl)ccc1O ZINC000886801664 627205952 /nfs/dbraw/zinc/20/59/52/627205952.db2.gz QPAGPQJEZANUCE-ZYHUDNBSSA-N 0 0 311.731 3.400 20 10 DGCDRN CCCNc1nc(-c2cn(-c3ccc(N)cc3)nn2)c(C)s1 ZINC000887364321 627247282 /nfs/dbraw/zinc/24/72/82/627247282.db2.gz GYZUDPSSCLPFNV-UHFFFAOYSA-N 0 0 314.418 3.103 20 10 DGCDRN COC(=O)c1cc(CN2CCCCc3cc(OC)ccc32)c[nH]1 ZINC000811508158 627283380 /nfs/dbraw/zinc/28/33/80/627283380.db2.gz CZGYPLVANKFLFF-UHFFFAOYSA-N 0 0 314.385 3.153 20 10 DGCDRN CCc1cc(C(=O)N(C)Cc2ccc(N(CC)CC)cc2)no1 ZINC000887787012 627324274 /nfs/dbraw/zinc/32/42/74/627324274.db2.gz ANLLAGYWHRYTLT-UHFFFAOYSA-N 0 0 315.417 3.355 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H](C)[C@H](C)COC)cc1 ZINC000812477474 627390889 /nfs/dbraw/zinc/39/08/89/627390889.db2.gz PJCUNCLJGJCKCP-HUUCEWRRSA-N 0 0 306.450 3.068 20 10 DGCDRN C[C@H](NC(=O)CCCC1CC1)c1ccc(N2CCOCC2)cc1 ZINC000812484196 627391480 /nfs/dbraw/zinc/39/14/80/627391480.db2.gz XSPKADFAMJFVTE-HNNXBMFYSA-N 0 0 316.445 3.281 20 10 DGCDRN O=C(CCCC1CC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000812504530 627393243 /nfs/dbraw/zinc/39/32/43/627393243.db2.gz ZMKCHPYZNFMUDE-KRWDZBQOSA-N 0 0 317.429 3.480 20 10 DGCDRN CCC[C@@H]1C[C@H]1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000812504061 627393245 /nfs/dbraw/zinc/39/32/45/627393245.db2.gz KEMOEKAXEZVVRC-HYVNUMGLSA-N 0 0 317.429 3.336 20 10 DGCDRN CC(C)[N@H+](Cc1cccc(Br)c1[O-])[C@H]1CCOC1 ZINC000812776763 627419042 /nfs/dbraw/zinc/41/90/42/627419042.db2.gz ONXXSQLHWUBWIG-LBPRGKRZSA-N 0 0 314.223 3.154 20 10 DGCDRN CC(C)(C)c1ccncc1CNC(=O)NCc1ccccc1O ZINC000840275627 627439714 /nfs/dbraw/zinc/43/97/14/627439714.db2.gz GJMRKBQGIRXCIE-UHFFFAOYSA-N 0 0 313.401 3.084 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C[C@H](O)CC(C)(C)C)cc1 ZINC000813414314 627488184 /nfs/dbraw/zinc/48/81/84/627488184.db2.gz KMZICOMBRFBXHF-KRWDZBQOSA-N 0 0 320.477 3.336 20 10 DGCDRN C[C@@H](NC(=O)[C@@H]1CCOC2(CCC2)C1)c1ccc(N(C)C)cc1 ZINC000890030494 627495405 /nfs/dbraw/zinc/49/54/05/627495405.db2.gz FJQPYXCJIZUGIB-GDBMZVCRSA-N 0 0 316.445 3.279 20 10 DGCDRN C[C@H](NC(=O)C[C@H]1CC(C)(C)CO1)c1ccc(N(C)C)cc1 ZINC000890031576 627495514 /nfs/dbraw/zinc/49/55/14/627495514.db2.gz ZCZJMDPYTQURPG-BBRMVZONSA-N 0 0 304.434 3.135 20 10 DGCDRN C[C@@H](NC(=O)C[C@@H]1CCC2(CCC2)O1)c1ccc(N(C)C)cc1 ZINC000890030505 627495710 /nfs/dbraw/zinc/49/57/10/627495710.db2.gz FPVREPFJURGDAH-PBHICJAKSA-N 0 0 316.445 3.422 20 10 DGCDRN C[C@H](NC(=O)[C@H]1CCCCCC(=O)C1)c1ccc(N(C)C)cc1 ZINC000813524613 627496124 /nfs/dbraw/zinc/49/61/24/627496124.db2.gz DTHPTQUEUPWJCZ-HOCLYGCPSA-N 0 0 316.445 3.469 20 10 DGCDRN CC[C@H](C)CONC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000813590998 627500609 /nfs/dbraw/zinc/50/06/09/627500609.db2.gz HDYPHCJBEPKALE-AWEZNQCLSA-N 0 0 307.438 3.310 20 10 DGCDRN CCC(CC)(CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)OC ZINC000813717849 627508902 /nfs/dbraw/zinc/50/89/02/627508902.db2.gz AJKSCRLHVJIJEL-AWEZNQCLSA-N 0 0 321.465 3.318 20 10 DGCDRN C[C@H]1CC(C)(C)CN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000840303843 627519911 /nfs/dbraw/zinc/51/99/11/627519911.db2.gz DQWDAGBMZRZARB-HNNXBMFYSA-N 0 0 313.445 3.393 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCCC[C@H]1F ZINC000840306352 627523773 /nfs/dbraw/zinc/52/37/73/627523773.db2.gz XCBNFOUWTPLJLG-IAGOWNOFSA-N 0 0 317.408 3.143 20 10 DGCDRN COc1cccc(CNc2nc3ccc(F)cc3n2C)c1O ZINC000814256596 627554962 /nfs/dbraw/zinc/55/49/62/627554962.db2.gz SWTBBIVHENKAKQ-UHFFFAOYSA-N 0 0 301.321 3.039 20 10 DGCDRN CO[C@@H]1CCC[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000814405513 627563012 /nfs/dbraw/zinc/56/30/12/627563012.db2.gz MRWNQDUVFKMNKD-FUHWJXTLSA-N 0 0 316.445 3.108 20 10 DGCDRN Cc1ncsc1/C=C/C(=O)N1CCc2c1c(F)ccc2F ZINC000814425486 627564515 /nfs/dbraw/zinc/56/45/15/627564515.db2.gz AATXQGRRBQUIGX-SNAWJCMRSA-N 0 0 306.337 3.332 20 10 DGCDRN COc1ccc(N(C)C[C@H](O)Cc2ccc(F)cc2)cc1F ZINC000815061431 627621420 /nfs/dbraw/zinc/62/14/20/627621420.db2.gz VAIDSQOKHBNJRA-OAHLLOKOSA-N 0 0 307.340 3.013 20 10 DGCDRN Cc1cc(CN2C[C@H](C(F)(F)F)OC[C@@H]2C)ccc1N(C)C ZINC000815116357 627629211 /nfs/dbraw/zinc/62/92/11/627629211.db2.gz KFYPVJSQTMTCSA-SWLSCSKDSA-N 0 0 316.367 3.213 20 10 DGCDRN COc1ccc(CC[NH2+]Cc2ccccc2O)c(Cl)c1OC ZINC000815145513 627636642 /nfs/dbraw/zinc/63/66/42/627636642.db2.gz XCPXEGJTIVVYNW-UHFFFAOYSA-N 0 0 321.804 3.395 20 10 DGCDRN CC1(C)CCC[C@@]1(O)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000815147801 627637199 /nfs/dbraw/zinc/63/71/99/627637199.db2.gz WMEWZYXDZZNZTA-OAHLLOKOSA-N 0 0 301.789 3.216 20 10 DGCDRN C[C@@H](NCc1ccc(N2CCSCC2)cc1)c1ncco1 ZINC000924705369 627670860 /nfs/dbraw/zinc/67/08/60/627670860.db2.gz BAVKHKXZGAJFNU-CYBMUJFWSA-N 0 0 303.431 3.079 20 10 DGCDRN CCN(CC)c1ccc(CN[C@@H](C)c2cc(OC)no2)cc1 ZINC000924710565 627671625 /nfs/dbraw/zinc/67/16/25/627671625.db2.gz LYDWFRIBLZDXMA-ZDUSSCGKSA-N 0 0 303.406 3.380 20 10 DGCDRN C[C@@H]([NH2+]CCc1cnn(C)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000815562237 627684972 /nfs/dbraw/zinc/68/49/72/627684972.db2.gz ADLYFFPUEIKDSU-SNVBAGLBSA-N 0 0 313.323 3.038 20 10 DGCDRN C[C@H]([NH2+][C@H](CO)CC(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000815620213 627691843 /nfs/dbraw/zinc/69/18/43/627691843.db2.gz KKVCTNYBXVFGKK-YUMQZZPRSA-N 0 0 313.266 3.078 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1c[nH]nc1C(C)(C)C ZINC000815629957 627693050 /nfs/dbraw/zinc/69/30/50/627693050.db2.gz SPLJPYOAWRRYGD-UHFFFAOYSA-N 0 0 314.433 3.012 20 10 DGCDRN Cc1ccc(O)c([C@@H](C)NCc2ncn(-c3ccccc3)n2)c1 ZINC000815657536 627695752 /nfs/dbraw/zinc/69/57/52/627695752.db2.gz ASYJECVOZNDWBH-CQSZACIVSA-N 0 0 308.385 3.132 20 10 DGCDRN Cc1ccc(O)c([C@H](C)NCc2ncn(-c3ccccc3)n2)c1 ZINC000815657535 627695918 /nfs/dbraw/zinc/69/59/18/627695918.db2.gz ASYJECVOZNDWBH-AWEZNQCLSA-N 0 0 308.385 3.132 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@H](OC)C1 ZINC000815797295 627704859 /nfs/dbraw/zinc/70/48/59/627704859.db2.gz KJJFUFHNCHCZQW-HOCLYGCPSA-N 0 0 305.418 3.336 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC3CCC2CC3)c1 ZINC000815835206 627707162 /nfs/dbraw/zinc/70/71/62/627707162.db2.gz NBTWCMVEAVYRIT-ITDKRANNSA-N 0 0 303.402 3.404 20 10 DGCDRN C[C@H](NC(=O)N[C@H](c1ccccn1)C1CC1)c1ccccc1O ZINC000925570503 627756119 /nfs/dbraw/zinc/75/61/19/627756119.db2.gz JSQPJCPACWXGCT-SJCJKPOMSA-N 0 0 311.385 3.299 20 10 DGCDRN C[C@@H](c1ccc(N(C)C)cc1)[N@@H+]1CCOc2ccc(N)cc2C1 ZINC000925750950 627787184 /nfs/dbraw/zinc/78/71/84/627787184.db2.gz WRULUKPAGMEMSG-AWEZNQCLSA-N 0 0 311.429 3.290 20 10 DGCDRN CC(C)(C)[N@@H+]1CCCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816498421 627797790 /nfs/dbraw/zinc/79/77/90/627797790.db2.gz USWMJJURHULCDB-UHFFFAOYSA-N 0 0 314.832 3.491 20 10 DGCDRN Oc1c(CN2CCO[C@@H](C(F)(F)F)C2)ccc2ccccc21 ZINC000816513780 627798950 /nfs/dbraw/zinc/79/89/50/627798950.db2.gz BKOUKNGAHJGBDK-CQSZACIVSA-N 0 0 311.303 3.309 20 10 DGCDRN Cc1ccc([C@@H](O)C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816537551 627804101 /nfs/dbraw/zinc/80/41/01/627804101.db2.gz ITUMSDBHHWZWQM-INIZCTEOSA-N 0 0 309.768 3.316 20 10 DGCDRN CN(CC[NH2+]Cc1cc(Cl)c(F)cc1[O-])Cc1ccccc1 ZINC000816538213 627804131 /nfs/dbraw/zinc/80/41/31/627804131.db2.gz JHXIBRGFMKNEJZ-UHFFFAOYSA-N 0 0 322.811 3.406 20 10 DGCDRN O=C1COc2ccc(NCc3ccc4ccccc4c3O)cc2N1 ZINC000816536639 627804295 /nfs/dbraw/zinc/80/42/95/627804295.db2.gz FLXOINCGSKKTNB-UHFFFAOYSA-N 0 0 320.348 3.488 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(CO)c(F)c1 ZINC000816538802 627804313 /nfs/dbraw/zinc/80/43/13/627804313.db2.gz HRSZLZIRSKKTFE-UHFFFAOYSA-N 0 0 313.731 3.106 20 10 DGCDRN CCC(CC)(CCO)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816554150 627806824 /nfs/dbraw/zinc/80/68/24/627806824.db2.gz QGRPBORXRLSOTB-UHFFFAOYSA-N 0 0 303.805 3.463 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000816559184 627807829 /nfs/dbraw/zinc/80/78/29/627807829.db2.gz AWILNVYBFFYTPJ-KMUNFCNLSA-N 0 0 311.784 3.232 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1ccc2c(c1)oc(=O)n2C ZINC000816565322 627808145 /nfs/dbraw/zinc/80/81/45/627808145.db2.gz KZICSPHNWUJFRB-UHFFFAOYSA-N 0 0 324.380 3.093 20 10 DGCDRN CC(C)(C)[C@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000816594506 627812207 /nfs/dbraw/zinc/81/22/07/627812207.db2.gz GWULVUXGTMZMOV-CQSZACIVSA-N 0 0 301.789 3.432 20 10 DGCDRN CC(C)(C)[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000816594505 627812592 /nfs/dbraw/zinc/81/25/92/627812592.db2.gz GWULVUXGTMZMOV-AWEZNQCLSA-N 0 0 301.789 3.432 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cn(C(C)C)nn1 ZINC000816593085 627812612 /nfs/dbraw/zinc/81/26/12/627812612.db2.gz DQIPODRONOLBAU-UHFFFAOYSA-N 0 0 316.405 3.007 20 10 DGCDRN Oc1c(CNc2ccc(C3(O)COC3)cc2)ccc2ccccc21 ZINC000816612836 627814090 /nfs/dbraw/zinc/81/40/90/627814090.db2.gz ZCDLZHPAVTZBGA-UHFFFAOYSA-N 0 0 321.376 3.375 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H]1COc2ccccc21 ZINC000816613095 627814355 /nfs/dbraw/zinc/81/43/55/627814355.db2.gz IUSYAKAVDJIUML-NSHDSACASA-N 0 0 307.752 3.451 20 10 DGCDRN CC(C)[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C1(CO)CCC1 ZINC000816616892 627815153 /nfs/dbraw/zinc/81/51/53/627815153.db2.gz IUNUZRUEAAJYBI-HNNXBMFYSA-N 0 0 315.816 3.462 20 10 DGCDRN O=C1OCc2c1cccc2NCc1cc(Cl)c(F)cc1O ZINC000816613452 627815385 /nfs/dbraw/zinc/81/53/85/627815385.db2.gz VDNQTURQMKMSOL-UHFFFAOYSA-N 0 0 307.708 3.467 20 10 DGCDRN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@@H](O)Cc1ccccc1 ZINC000816625245 627815970 /nfs/dbraw/zinc/81/59/70/627815970.db2.gz XYTVPVVYKAVHFX-AWEZNQCLSA-N 0 0 323.795 3.220 20 10 DGCDRN CC1(C)CN(Cc2cc(F)ccc2O)C[C@@](C)(C(F)(F)F)O1 ZINC000816643126 627817726 /nfs/dbraw/zinc/81/77/26/627817726.db2.gz WAFLDOGEQBLFTE-AWEZNQCLSA-N 0 0 321.314 3.463 20 10 DGCDRN C[N@@H+]1CCC[C@]2(CCN(Cc3c([O-])ccc(Cl)c3F)C2)C1 ZINC000816642122 627817740 /nfs/dbraw/zinc/81/77/40/627817740.db2.gz PXXJBLILHPWFCE-INIZCTEOSA-N 0 0 312.816 3.102 20 10 DGCDRN CC1(C)CN(Cc2ccccc2O)C[C@@](C)(C(F)(F)F)O1 ZINC000816643072 627817929 /nfs/dbraw/zinc/81/79/29/627817929.db2.gz UJUQRVIZZAXKCG-AWEZNQCLSA-N 0 0 303.324 3.324 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H](CO)C1CCCCC1 ZINC000816649535 627819860 /nfs/dbraw/zinc/81/98/60/627819860.db2.gz BEABRDPSDXYXGM-CYBMUJFWSA-N 0 0 315.816 3.463 20 10 DGCDRN COc1c([O-])c(C[NH2+]C[C@@H]2CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000816665216 627822688 /nfs/dbraw/zinc/82/26/88/627822688.db2.gz XSDAAVQZICFUFB-LBPRGKRZSA-N 0 0 308.378 3.225 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc(C3CC3)cc2F)c(O)c1O ZINC000816791605 627830908 /nfs/dbraw/zinc/83/09/08/627830908.db2.gz WHLCJIZHFPVJLJ-UHFFFAOYSA-N 0 0 315.344 3.353 20 10 DGCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2CCC1OCCCO1 ZINC000817298863 627879586 /nfs/dbraw/zinc/87/95/86/627879586.db2.gz QOXKXTOZFAZEAK-INIZCTEOSA-N 0 0 319.445 3.483 20 10 DGCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1nc(C)no1 ZINC000817299029 627879624 /nfs/dbraw/zinc/87/96/24/627879624.db2.gz SLBLHVGIQKNNJQ-AWEZNQCLSA-N 0 0 301.390 3.222 20 10 DGCDRN Cc1cc(C(=O)NOCC2CC2)c(C)n1-c1ccc(F)cc1 ZINC000817368011 627890193 /nfs/dbraw/zinc/89/01/93/627890193.db2.gz OIAKLPIVJUXEOM-UHFFFAOYSA-N 0 0 302.349 3.305 20 10 DGCDRN Cn1ncc(COc2ccc(N3CCCCC3)c(Cl)c2)n1 ZINC000817381650 627891820 /nfs/dbraw/zinc/89/18/20/627891820.db2.gz IGQRGTDMQLLTJN-UHFFFAOYSA-N 0 0 306.797 3.038 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@]1(C)CC1(F)F ZINC000817458244 627905832 /nfs/dbraw/zinc/90/58/32/627905832.db2.gz WKFSYWFGZNUQBP-WBMJQRKESA-N 0 0 310.388 3.154 20 10 DGCDRN CCOC[C@@H](O)COc1ccc(N2CCCCC2)c(Cl)c1 ZINC000817570956 627921939 /nfs/dbraw/zinc/92/19/39/627921939.db2.gz LNTGPKODDQNEHD-CYBMUJFWSA-N 0 0 313.825 3.107 20 10 DGCDRN CCOCCO[C@@H](C)C(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000817762162 627947537 /nfs/dbraw/zinc/94/75/37/627947537.db2.gz SRTNFUISRIUVJW-AWEZNQCLSA-N 0 0 319.401 3.142 20 10 DGCDRN CCN(CC1CC1)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817938612 627966907 /nfs/dbraw/zinc/96/69/07/627966907.db2.gz OKPNOBONUUBRGP-UHFFFAOYSA-N 0 0 315.442 3.188 20 10 DGCDRN CC1(C)C[C@H]1CNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817941171 627968370 /nfs/dbraw/zinc/96/83/70/627968370.db2.gz MXDCTECDNSVXRS-LBPRGKRZSA-N 0 0 315.442 3.092 20 10 DGCDRN CC[C@H]([NH2+]CCCNCc1cccnc1)c1ccc(F)cc1[O-] ZINC000817942027 627968422 /nfs/dbraw/zinc/96/84/22/627968422.db2.gz XBNRZFGILVDEAG-KRWDZBQOSA-N 0 0 317.408 3.147 20 10 DGCDRN CCC1(NC(=O)c2csc(Cc3ccc(N)cc3)n2)CCC1 ZINC000817944830 627970593 /nfs/dbraw/zinc/97/05/93/627970593.db2.gz NHIRHQQARMRUGE-UHFFFAOYSA-N 0 0 315.442 3.379 20 10 DGCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2ccc3c(c2)CCN3)c1 ZINC000817950663 627972552 /nfs/dbraw/zinc/97/25/52/627972552.db2.gz WAPMCLWPRJZNDO-NSHDSACASA-N 0 0 312.369 3.320 20 10 DGCDRN CCc1noc([C@@H]2CC[C@@H]([NH2+][C@H](C)c3ccc(F)cc3[O-])C2)n1 ZINC000927054130 628002959 /nfs/dbraw/zinc/00/29/59/628002959.db2.gz USHVZNAZUFWTHT-NQBHXWOUSA-N 0 0 319.380 3.464 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1CCCC[C@H]1F)c1ccc(N(C)C)cc1 ZINC000840355205 628007591 /nfs/dbraw/zinc/00/75/91/628007591.db2.gz YJSYARNLRZXPHB-DAXOMENPSA-N 0 0 307.413 3.394 20 10 DGCDRN Cc1cc(O)c(CNc2ccc(COCCO)cc2)c(Cl)c1 ZINC000818233333 628007656 /nfs/dbraw/zinc/00/76/56/628007656.db2.gz JDNNIAYCYVSTOF-UHFFFAOYSA-N 0 0 321.804 3.475 20 10 DGCDRN CC(C)[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1cnn(C)c1 ZINC000927071778 628008395 /nfs/dbraw/zinc/00/83/95/628008395.db2.gz UQERARPRBCVEBL-BZNIZROVSA-N 0 0 318.377 3.082 20 10 DGCDRN C[C@@H]([NH2+]CCO[C@@H]1CCOC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000927080404 628009367 /nfs/dbraw/zinc/00/93/67/628009367.db2.gz IYQVOSYMUXKHDX-NXEZZACHSA-N 0 0 320.216 3.155 20 10 DGCDRN COC(=O)c1cnc([C@H](C)N[C@H](C)c2ccccc2O)s1 ZINC000818358309 628018326 /nfs/dbraw/zinc/01/83/26/628018326.db2.gz UDBUAKNICLKOEJ-ZJUUUORDSA-N 0 0 306.387 3.047 20 10 DGCDRN CO[C@H](CNC(=O)c1ccc(-n2c(C)ccc2C)cc1)C1CC1 ZINC000818536576 628032339 /nfs/dbraw/zinc/03/23/39/628032339.db2.gz NUJMZMYWZADUSD-GOSISDBHSA-N 0 0 312.413 3.249 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@]1(C)CCCCO1 ZINC000927195033 628033147 /nfs/dbraw/zinc/03/31/47/628033147.db2.gz QYBRTJLHXMFEST-SFHVURJKSA-N 0 0 320.433 3.273 20 10 DGCDRN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2ccc(N)cc2)c1 ZINC000818556266 628035255 /nfs/dbraw/zinc/03/52/55/628035255.db2.gz GIYYMMMGHYNMJQ-HOCLYGCPSA-N 0 0 312.369 3.028 20 10 DGCDRN CCN(C(=O)c1cc(C)ccc1-n1c(C)ccc1C)[C@@H](C)CO ZINC000818633767 628045350 /nfs/dbraw/zinc/04/53/50/628045350.db2.gz GBEAMYUMXGDCSY-INIZCTEOSA-N 0 0 314.429 3.245 20 10 DGCDRN Nc1ccc(CCNC(=O)N[C@@H]2CCC[C@H](C3CC3)C2)cc1 ZINC000818656785 628045771 /nfs/dbraw/zinc/04/57/71/628045771.db2.gz YQFJOYCHZHLGIH-DOTOQJQBSA-N 0 0 301.434 3.079 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(C2CCC2)cn1 ZINC000819036557 628081497 /nfs/dbraw/zinc/08/14/97/628081497.db2.gz IJFLFQBLEOMBBQ-WEVVVXLNSA-N 0 0 310.353 3.412 20 10 DGCDRN C[C@@H]1CCC[C@@H](N2C(=O)CN(Cc3ccccc3O)C2=O)CC1 ZINC000819169258 628104381 /nfs/dbraw/zinc/10/43/81/628104381.db2.gz YWKBTJDGOMKFSU-UKRRQHHQSA-N 0 0 316.401 3.125 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCC[C@@H](Cc2nccs2)C1 ZINC000928275091 628136112 /nfs/dbraw/zinc/13/61/12/628136112.db2.gz YETZOKVKGWFFFS-JTQLQIEISA-N 0 0 308.428 3.005 20 10 DGCDRN CCOC[C@@H](O)CNc1cc2oc3ccccc3c2cc1OC ZINC000819399434 628148111 /nfs/dbraw/zinc/14/81/11/628148111.db2.gz WDAQYNPZQIONTI-LBPRGKRZSA-N 0 0 315.369 3.404 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)C3(C)CCCC3)C2)cc1 ZINC000819581864 628171430 /nfs/dbraw/zinc/17/14/30/628171430.db2.gz FFBSRHROLRFAJH-OAHLLOKOSA-N 0 0 316.445 3.218 20 10 DGCDRN Cc1cccc(CO[C@H](C)C(=O)NCc2c(O)cccc2F)c1 ZINC000928709648 628180239 /nfs/dbraw/zinc/18/02/39/628180239.db2.gz KHWMDFIQFWTPCA-CYBMUJFWSA-N 0 0 317.360 3.061 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C(C)C)nc1 ZINC000819760949 628186434 /nfs/dbraw/zinc/18/64/34/628186434.db2.gz LDESPEGCLGQKTG-UHFFFAOYSA-N 0 0 319.401 3.326 20 10 DGCDRN COc1cccc(CNC(=O)NC[C@H]2CCC[C@@H]2C2CC2)c1O ZINC000840398248 628190583 /nfs/dbraw/zinc/19/05/83/628190583.db2.gz WRXHMEXIDNGIMC-UKRRQHHQSA-N 0 0 318.417 3.026 20 10 DGCDRN COc1ccc(N2CCC(Nc3ccc(Cl)nn3)CC2)cc1 ZINC000819915467 628198879 /nfs/dbraw/zinc/19/88/79/628198879.db2.gz GZFZHKQXTKZVQE-UHFFFAOYSA-N 0 0 318.808 3.220 20 10 DGCDRN COc1ccc(N2CC[C@H](CNc3ccc(Cl)nn3)C2)cc1 ZINC000819934964 628201194 /nfs/dbraw/zinc/20/11/94/628201194.db2.gz JDFHAZXIDKVRRR-GFCCVEGCSA-N 0 0 318.808 3.077 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNc3ncncc3Cl)C2)cc1 ZINC000819934986 628201441 /nfs/dbraw/zinc/20/14/41/628201441.db2.gz OTDRYDSSNHUWFF-LBPRGKRZSA-N 0 0 318.808 3.077 20 10 DGCDRN CCOC1(C(=O)N(C)Cc2ccc(N(CC)CC)cc2)CCC1 ZINC000819974964 628207435 /nfs/dbraw/zinc/20/74/35/628207435.db2.gz WNWPBWNYYHVPTN-UHFFFAOYSA-N 0 0 318.461 3.450 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ncccc2F)cc1 ZINC000819974982 628207519 /nfs/dbraw/zinc/20/75/19/628207519.db2.gz XKVURZREVCNVBV-UHFFFAOYSA-N 0 0 315.392 3.339 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1Cc2c[nH]nc2C1 ZINC000820213602 628235667 /nfs/dbraw/zinc/23/56/67/628235667.db2.gz NYCQFFDJMADFQH-UHFFFAOYSA-N 0 0 312.398 3.035 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Cn1ccnc1C(C)C ZINC000820880156 628308736 /nfs/dbraw/zinc/30/87/36/628308736.db2.gz XQHLMLANJVTBHF-UHFFFAOYSA-N 0 0 315.417 3.151 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)c2ccc(CO)cc2)C2CC2)cc1 ZINC000821033372 628328805 /nfs/dbraw/zinc/32/88/05/628328805.db2.gz RIDJDEXOSLFKTN-UHFFFAOYSA-N 0 0 324.424 3.050 20 10 DGCDRN C=Cc1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1 ZINC000821190976 628344396 /nfs/dbraw/zinc/34/43/96/628344396.db2.gz IVWMDOXWEBAGGL-UHFFFAOYSA-N 0 0 309.774 3.489 20 10 DGCDRN CC(C)OC1(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC000822083777 628420568 /nfs/dbraw/zinc/42/05/68/628420568.db2.gz YBFMJDBGDAVDQK-AWEZNQCLSA-N 0 0 304.434 3.278 20 10 DGCDRN COc1ccc(N2CCN(C(=O)[C@@]3(C)CCC[C@@H]3C)CC2)cc1 ZINC000822197193 628429221 /nfs/dbraw/zinc/42/92/21/628429221.db2.gz PHCZNXAWGYTSLM-KXBFYZLASA-N 0 0 316.445 3.170 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccsn2)cc1 ZINC000822269470 628434365 /nfs/dbraw/zinc/43/43/65/628434365.db2.gz QHMOYEXYSLFZSW-UHFFFAOYSA-N 0 0 303.431 3.262 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000822539404 628462490 /nfs/dbraw/zinc/46/24/90/628462490.db2.gz IFFOZFMZYINBAO-GXTWGEPZSA-N 0 0 320.389 3.367 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CC(C3CCCC3)C2)cc1 ZINC000822597388 628469343 /nfs/dbraw/zinc/46/93/43/628469343.db2.gz PJARKJGLVGPPFL-UHFFFAOYSA-N 0 0 300.362 3.111 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CSC(F)F ZINC000822652728 628475107 /nfs/dbraw/zinc/47/51/07/628475107.db2.gz QSVIIBMPJHUEAN-UHFFFAOYSA-N 0 0 316.417 3.445 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)/C=C\[C@H]1CCOC1 ZINC000822653012 628475270 /nfs/dbraw/zinc/47/52/70/628475270.db2.gz WPFMLFJJDBRBTH-JEZWAEDTSA-N 0 0 316.445 3.082 20 10 DGCDRN CO[C@@H](C[N@H+](Cc1ccco1)Cc1ccccc1O)C1CC1 ZINC000822740919 628487581 /nfs/dbraw/zinc/48/75/81/628487581.db2.gz UZPSPELZTWEMOH-SFHVURJKSA-N 0 0 301.386 3.412 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC1(C2CC2)CC1 ZINC000840477871 628542529 /nfs/dbraw/zinc/54/25/29/628542529.db2.gz ARUAJWPTFXMYBR-CQSZACIVSA-N 0 0 315.461 3.234 20 10 DGCDRN CC[C@H]1CCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000823293172 628546984 /nfs/dbraw/zinc/54/69/84/628546984.db2.gz VYPCOKKNCBNOBG-AAEUAGOBSA-N 0 0 302.378 3.405 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NCCC2CC(F)(F)C2)cc1 ZINC000823484981 628568003 /nfs/dbraw/zinc/56/80/03/628568003.db2.gz IOWHMZQVWYWUBR-UHFFFAOYSA-N 0 0 310.304 3.014 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N[C@H](C2CC2)C2CCC2)cc1 ZINC000823494334 628568602 /nfs/dbraw/zinc/56/86/02/628568602.db2.gz PEBABZVBBJOIMZ-AWEZNQCLSA-N 0 0 300.362 3.158 20 10 DGCDRN CCN(C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)C(C)C ZINC000840480581 628575088 /nfs/dbraw/zinc/57/50/88/628575088.db2.gz WZPWBVDEZAXPFU-OAHLLOKOSA-N 0 0 305.466 3.432 20 10 DGCDRN CC[C@H]1CCN1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840483296 628606131 /nfs/dbraw/zinc/60/61/31/628606131.db2.gz JGQOBPAWVHOQBI-HOCLYGCPSA-N 0 0 303.450 3.186 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)C3CCC=CCC3)C2)cc1 ZINC000824374497 628656070 /nfs/dbraw/zinc/65/60/70/628656070.db2.gz WUPGEGOCGMPZQL-INIZCTEOSA-N 0 0 314.429 3.137 20 10 DGCDRN O=[N+]([O-])c1cc(CN2CC3(CC3)C2)ccc1N1CCCCC1 ZINC000824533786 628667927 /nfs/dbraw/zinc/66/79/27/628667927.db2.gz OATHFZRDWZBWSB-UHFFFAOYSA-N 0 0 301.390 3.181 20 10 DGCDRN Cc1cc(O)c(CN2CCN(C(=O)C(C)(C)C)CC2)cc1Cl ZINC000824555678 628670861 /nfs/dbraw/zinc/67/08/61/628670861.db2.gz HZVISIWOJKUNRN-UHFFFAOYSA-N 0 0 324.852 3.044 20 10 DGCDRN O=[N+]([O-])c1cc(CN2CC[C@H](F)C2)ccc1N1CCCCC1 ZINC000824572227 628672553 /nfs/dbraw/zinc/67/25/53/628672553.db2.gz VMLYSYWZZUOUIX-AWEZNQCLSA-N 0 0 307.369 3.129 20 10 DGCDRN COC(=O)CN(Cc1cc(OC)cc(C(C)(C)C)c1O)C(C)C ZINC000824581835 628673705 /nfs/dbraw/zinc/67/37/05/628673705.db2.gz VXVCQKCQQCWQAR-UHFFFAOYSA-N 0 0 323.433 3.082 20 10 DGCDRN CC[C@H](C)[C@@H](C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])OC ZINC000824597322 628675423 /nfs/dbraw/zinc/67/54/23/628675423.db2.gz QXLUIFOZTGKXJY-TVQRCGJNSA-N 0 0 316.785 3.105 20 10 DGCDRN CC[C@H](C)N(C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840488741 628675946 /nfs/dbraw/zinc/67/59/46/628675946.db2.gz NGSUBGYADBFRRE-CABCVRRESA-N 0 0 305.466 3.432 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000824716377 628687139 /nfs/dbraw/zinc/68/71/39/628687139.db2.gz SZMAHFNHAMQRBC-NWANDNLSSA-N 0 0 313.800 3.310 20 10 DGCDRN CCCN(CC)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840490296 628693643 /nfs/dbraw/zinc/69/36/43/628693643.db2.gz ZEOSPZMPFILXQW-OAHLLOKOSA-N 0 0 305.466 3.434 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2ccc(C(F)F)nc2)cc1 ZINC000824819067 628697520 /nfs/dbraw/zinc/69/75/20/628697520.db2.gz LIVDXETZAMWDDS-UHFFFAOYSA-N 0 0 320.343 3.407 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000824844791 628699436 /nfs/dbraw/zinc/69/94/36/628699436.db2.gz CTYJYECXPKGJCG-BLLLJJGKSA-N 0 0 313.800 3.071 20 10 DGCDRN Cc1cccc(C[N@@H+](C)Cc2ccc(Br)cc2O)n1 ZINC000824855271 628700825 /nfs/dbraw/zinc/70/08/25/628700825.db2.gz ICXJBTODUYQKID-UHFFFAOYSA-N 0 0 321.218 3.490 20 10 DGCDRN C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H](C)C1(F)F ZINC000824856502 628700847 /nfs/dbraw/zinc/70/08/47/628700847.db2.gz FSAGQKQENJVANI-AOOOYVTPSA-N 0 0 324.331 3.212 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+]Cc2cnccc2C)c1 ZINC000824908640 628704748 /nfs/dbraw/zinc/70/47/48/628704748.db2.gz AXDSAWJBHWYJGG-UHFFFAOYSA-N 0 0 321.218 3.456 20 10 DGCDRN C[C@@H]1CC(F)(F)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000824989753 628714289 /nfs/dbraw/zinc/71/42/89/628714289.db2.gz GLTYHWNTZQHTCH-SECBINFHSA-N 0 0 310.304 3.109 20 10 DGCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2[O-])c2nccn21 ZINC000825017676 628716775 /nfs/dbraw/zinc/71/67/75/628716775.db2.gz XDBWVJZTRWCUSP-BXKDBHETSA-N 0 0 322.206 3.147 20 10 DGCDRN CCN(CC)c1ccc(CN(CC(F)F)C[C@H](C)O)cc1F ZINC000825099471 628727692 /nfs/dbraw/zinc/72/76/92/628727692.db2.gz ZZHHBLJQRCPNNK-LBPRGKRZSA-N 0 0 318.383 3.120 20 10 DGCDRN Cc1cc(O)c(CNc2ccn(CC(F)F)n2)cc1Cl ZINC000825338471 628751382 /nfs/dbraw/zinc/75/13/82/628751382.db2.gz ZMFDKNYGKYLMBE-UHFFFAOYSA-N 0 0 301.724 3.428 20 10 DGCDRN CC1(C)CCc2onc(C(=O)N3Cc4cccc(O)c4C3)c2C1 ZINC000825356283 628752967 /nfs/dbraw/zinc/75/29/67/628752967.db2.gz PDIAIVKYDNRYRU-UHFFFAOYSA-N 0 0 312.369 3.051 20 10 DGCDRN Oc1cc(Br)ccc1CN1CCC[C@H]1c1ncc[nH]1 ZINC000825513249 628770823 /nfs/dbraw/zinc/77/08/23/628770823.db2.gz FIYOBLLDUKRMQK-LBPRGKRZSA-N 0 0 322.206 3.215 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCCC2(F)F)c1 ZINC000825737325 628792831 /nfs/dbraw/zinc/79/28/31/628792831.db2.gz ZHTSZDMAJWGZSP-GWCFXTLKSA-N 0 0 313.344 3.404 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N[C@@H]3CCC[C@@H]4C[C@@H]43)ccc21 ZINC000826020380 628820704 /nfs/dbraw/zinc/82/07/04/628820704.db2.gz SUMTVZKQOISFCE-HYVNUMGLSA-N 0 0 313.445 3.057 20 10 DGCDRN Cc1ccc(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000826530381 628856568 /nfs/dbraw/zinc/85/65/68/628856568.db2.gz FKCVXLUOHLKAHJ-AWEZNQCLSA-N 0 0 312.417 3.016 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(N(C)C)cc1 ZINC000826531970 628856735 /nfs/dbraw/zinc/85/67/35/628856735.db2.gz QEGVYGRJTDYZOM-JSQNDZKTSA-N 0 0 301.434 3.301 20 10 DGCDRN C/C(=C/C(=O)N1C[C@@H](C)Oc2ccc(C)cc21)c1cnccn1 ZINC000826819962 628891612 /nfs/dbraw/zinc/89/16/12/628891612.db2.gz ZODWJJLMOOGCQC-RNQWEJQRSA-N 0 0 309.369 3.002 20 10 DGCDRN CC(C)(C)N1CC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000826866874 628897493 /nfs/dbraw/zinc/89/74/93/628897493.db2.gz GFBYYKFPVGFJQC-LLVKDONJSA-N 0 0 300.805 3.147 20 10 DGCDRN COCC1(C2CCC2)C[NH+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000827011789 628912697 /nfs/dbraw/zinc/91/26/97/628912697.db2.gz OWCCWZLKXCSCSF-UHFFFAOYSA-N 0 0 313.800 3.433 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C=C(/C)c1cnccn1)CCCC2 ZINC000827028286 628914541 /nfs/dbraw/zinc/91/45/41/628914541.db2.gz VPRDNHUQNIXZNI-KAMYIIQDSA-N 0 0 323.396 3.258 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)/C=C(\C)c1cnccn1 ZINC000827081832 628919767 /nfs/dbraw/zinc/91/97/67/628919767.db2.gz VTVNUMQZQFBPJV-SDNWHVSQSA-N 0 0 311.385 3.024 20 10 DGCDRN CCN(CC1CC[NH+](Cc2cc(C)c(C)cc2O)CC1)C(=O)[O-] ZINC000827099513 628921723 /nfs/dbraw/zinc/92/17/23/628921723.db2.gz PFFTWTVPLXOJFD-UHFFFAOYSA-N 0 0 320.433 3.221 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@]2(c3ccccc3)CCCO2)c1 ZINC000827167911 628931667 /nfs/dbraw/zinc/93/16/67/628931667.db2.gz UGCZUTBMQLVEKP-IBGZPJMESA-N 0 0 311.381 3.023 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000827172343 628931728 /nfs/dbraw/zinc/93/17/28/628931728.db2.gz RIAMONHTGZNRPA-GOEBONIOSA-N 0 0 307.752 3.453 20 10 DGCDRN C/C(=C/C(=O)N1CC(C)(C)Oc2ccccc21)c1cnccn1 ZINC000827276790 628944200 /nfs/dbraw/zinc/94/42/00/628944200.db2.gz PTVNDQRWFSSKMV-RAXLEYEMSA-N 0 0 309.369 3.084 20 10 DGCDRN Cc1nc2c(s1)[C@@H](N(C)C(=O)C1=CC(=O)CS1)CCC2 ZINC000827293471 628945830 /nfs/dbraw/zinc/94/58/30/628945830.db2.gz ZDHDBCFIUCGWIU-NSHDSACASA-N 0 0 308.428 3.368 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2ccc(C)nc2C(C)C)c1 ZINC000827317213 628948538 /nfs/dbraw/zinc/94/85/38/628948538.db2.gz PNTRENSIRKELLA-UHFFFAOYSA-N 0 0 314.385 3.158 20 10 DGCDRN Cc1cc(C(=O)CN(C)CC2CC2)c(C)n1-c1ccc(F)cn1 ZINC000827434776 628958881 /nfs/dbraw/zinc/95/88/81/628958881.db2.gz LUAAWPBEVICAAK-UHFFFAOYSA-N 0 0 315.392 3.153 20 10 DGCDRN O=C(CCCc1cccnc1)NCCCSc1nccs1 ZINC000827474974 628962528 /nfs/dbraw/zinc/96/25/28/628962528.db2.gz QNKHPJCSUQBXOO-UHFFFAOYSA-N 0 0 321.471 3.159 20 10 DGCDRN COC(=O)C(C)(C)NCc1ccc(N2CCCCC2)c(C)c1 ZINC000827661907 628980943 /nfs/dbraw/zinc/98/09/43/628980943.db2.gz VSAHBSOXRWCBQU-UHFFFAOYSA-N 0 0 304.434 3.027 20 10 DGCDRN C[C@@H](NC(=O)c1cc2c(s1)CCOC2)c1ccccc1O ZINC000827930912 629004716 /nfs/dbraw/zinc/00/47/16/629004716.db2.gz USAMAWAXUCMIOR-SNVBAGLBSA-N 0 0 303.383 3.017 20 10 DGCDRN Cc1nn(C(C)(C)C)c(C)c1C(=O)N[C@H](C)c1ccccc1O ZINC000827930955 629004738 /nfs/dbraw/zinc/00/47/38/629004738.db2.gz WNURLWNQNYFHPO-LLVKDONJSA-N 0 0 315.417 3.452 20 10 DGCDRN COc1cc(C)c(C(=O)N[C@H](C)c2ccccc2O)cc1OC ZINC000827937278 629005319 /nfs/dbraw/zinc/00/53/19/629005319.db2.gz QLUMUHZHUXWDLZ-GFCCVEGCSA-N 0 0 315.369 3.209 20 10 DGCDRN CC(C)c1cc(C(=O)N[C@H](C)c2ccccc2O)cc(=O)[nH]1 ZINC000827940504 629005933 /nfs/dbraw/zinc/00/59/33/629005933.db2.gz DSFXOQXHTMNRCE-LLVKDONJSA-N 0 0 300.358 3.107 20 10 DGCDRN Cc1c(C(=O)N[C@H](C)c2ccccc2O)cnn1CCC(C)C ZINC000827941697 629005999 /nfs/dbraw/zinc/00/59/99/629005999.db2.gz WNPIGFPWBAMOGH-CYBMUJFWSA-N 0 0 315.417 3.434 20 10 DGCDRN C[C@@H](NC(=O)c1cnc([C@H]2CCCO2)s1)c1ccccc1O ZINC000827940493 629006084 /nfs/dbraw/zinc/00/60/84/629006084.db2.gz DPWDCGBXTFIBBP-ZWNOBZJWSA-N 0 0 318.398 3.191 20 10 DGCDRN COc1cccc2c1[C@H](C(=O)N[C@H](C)c1ccccc1O)CC2 ZINC000827946823 629006407 /nfs/dbraw/zinc/00/64/07/629006407.db2.gz SLFQZZCCWSLXKG-IUODEOHRSA-N 0 0 311.381 3.308 20 10 DGCDRN CC(C)Oc1ccc(C(=O)N[C@H](C)c2ccccc2O)nc1 ZINC000827946544 629006701 /nfs/dbraw/zinc/00/67/01/629006701.db2.gz LJDDKBNKZFYIMO-GFCCVEGCSA-N 0 0 300.358 3.065 20 10 DGCDRN C[C@H](NC(=O)[C@@H]1CCC(=O)[C@H](C)C1(C)C)c1ccccc1O ZINC000827968982 629009471 /nfs/dbraw/zinc/00/94/71/629009471.db2.gz DPGVMFGVVPHELE-OBJOEFQTSA-N 0 0 303.402 3.211 20 10 DGCDRN C[C@H](NC(=O)[C@H](C)N1CCc2ccccc21)c1ccccc1O ZINC000827973356 629010543 /nfs/dbraw/zinc/01/05/43/629010543.db2.gz MJYMQNFATWYQQZ-KBPBESRZSA-N 0 0 310.397 3.021 20 10 DGCDRN COc1ccc(N(Cc2ccccc2)C[C@H]2COCCO2)cc1 ZINC000828113637 629024225 /nfs/dbraw/zinc/02/42/25/629024225.db2.gz LSYHOSCWYHKILD-IBGZPJMESA-N 0 0 313.397 3.117 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000828290744 629041876 /nfs/dbraw/zinc/04/18/76/629041876.db2.gz JMBKKTNMKFIFIC-NSHDSACASA-N 0 0 319.386 3.082 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCS[C@H]1C ZINC000828524393 629062775 /nfs/dbraw/zinc/06/27/75/629062775.db2.gz CALIUBLDZFDEOK-BBRMVZONSA-N 0 0 321.490 3.178 20 10 DGCDRN C[C@@H](NC(=O)C[C@H]1CC[C@H](C(F)(F)F)O1)c1ccccc1O ZINC000828539439 629064343 /nfs/dbraw/zinc/06/43/43/629064343.db2.gz OUJQBZHTPQJRBA-GIPNMCIBSA-N 0 0 317.307 3.069 20 10 DGCDRN C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1)c1ccccc1O ZINC000828539655 629064435 /nfs/dbraw/zinc/06/44/35/629064435.db2.gz SEZVTTLBLYSHBY-JEBQAFNWSA-N 0 0 324.424 3.439 20 10 DGCDRN C[C@H]1CN(C)c2ccccc2N(C(=O)C2=CC(=O)CS2)C1 ZINC000828732779 629086120 /nfs/dbraw/zinc/08/61/20/629086120.db2.gz WKGFGXZBTROHHK-NSHDSACASA-N 0 0 302.399 3.186 20 10 DGCDRN COC(=O)c1cnc(SCC(=O)CC(C)(C)C2CC2)s1 ZINC000829677963 629181517 /nfs/dbraw/zinc/18/15/17/629181517.db2.gz TVFUSWNLYLKNJC-UHFFFAOYSA-N 0 0 313.444 3.417 20 10 DGCDRN COC(=O)c1cnc(SCc2noc3c2CCCC3)s1 ZINC000829681284 629182114 /nfs/dbraw/zinc/18/21/14/629182114.db2.gz SVUQNCXIHPKILV-UHFFFAOYSA-N 0 0 310.400 3.089 20 10 DGCDRN Cc1cnccc1/C=C\C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000829817738 629197658 /nfs/dbraw/zinc/19/76/58/629197658.db2.gz QBJDBVBZELNLMN-XMELGKRDSA-N 0 0 309.413 3.347 20 10 DGCDRN Cc1ncccc1/C=C\C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000829818665 629198253 /nfs/dbraw/zinc/19/82/53/629198253.db2.gz ZLZMEHODBFCQHS-LMRWQKIVSA-N 0 0 309.413 3.347 20 10 DGCDRN O=C(C[C@H]1CCCN1C(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000829878917 629204581 /nfs/dbraw/zinc/20/45/81/629204581.db2.gz IOYBPAJGZWXSAY-CYBMUJFWSA-N 0 0 315.394 3.331 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)CC[C@@H]1CC1(Cl)Cl ZINC000830141754 629229587 /nfs/dbraw/zinc/22/95/87/629229587.db2.gz XWZFOXHDWOVKJX-LLVKDONJSA-N 0 0 302.201 3.325 20 10 DGCDRN Cc1cc(CC(=O)N2CC(C(F)F)C2)c(C)n1-c1ccccc1 ZINC000830392480 629262779 /nfs/dbraw/zinc/26/27/79/629262779.db2.gz FLYHDAOTRSQWJF-UHFFFAOYSA-N 0 0 318.367 3.360 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)C1(C(F)(F)F)CCCCC1 ZINC000830559682 629284129 /nfs/dbraw/zinc/28/41/29/629284129.db2.gz SHMUTFGQTMLMSS-UHFFFAOYSA-N 0 0 317.307 3.227 20 10 DGCDRN CN(Cc1ccccc1O)c1nnc(-c2ccoc2)n1CC1CC1 ZINC000830862859 629312782 /nfs/dbraw/zinc/31/27/82/629312782.db2.gz GLPZCEYCNTYAHK-UHFFFAOYSA-N 0 0 324.384 3.290 20 10 DGCDRN C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)Cc1ccc(N)cc1 ZINC000831267830 629355971 /nfs/dbraw/zinc/35/59/71/629355971.db2.gz QAJDJJCQBDSILA-LLVKDONJSA-N 0 0 316.351 3.235 20 10 DGCDRN Nc1ccc(CC(=O)NCc2ccccc2N2CCCCC2)cc1 ZINC000831528278 629386958 /nfs/dbraw/zinc/38/69/58/629386958.db2.gz NMOKJDCUZLERAB-UHFFFAOYSA-N 0 0 323.440 3.118 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1[C@H]2CCCCCC[C@H]12 ZINC000831925182 629428633 /nfs/dbraw/zinc/42/86/33/629428633.db2.gz SKSBKYLXADFCDO-SNPRPXQTSA-N 0 0 317.429 3.361 20 10 DGCDRN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)Cc1ccc(N)cc1 ZINC000831982220 629433438 /nfs/dbraw/zinc/43/34/38/629433438.db2.gz JMNFAWVQOOEKKI-MRXNPFEDSA-N 0 0 324.424 3.056 20 10 DGCDRN C[C@H](CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@H]1CCCO1 ZINC000832435577 629479680 /nfs/dbraw/zinc/47/96/80/629479680.db2.gz CGJQHMLTMJWYKQ-JKIFEVAISA-N 0 0 304.434 3.135 20 10 DGCDRN C[C@@H](NC(=O)c1onc2c1CCCC2)c1ccc(N(C)C)cc1 ZINC000832431860 629479686 /nfs/dbraw/zinc/47/96/86/629479686.db2.gz WWBBASQQOQEYFF-GFCCVEGCSA-N 0 0 313.401 3.110 20 10 DGCDRN C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCCc2ccc(N)cc2)o1 ZINC000832653131 629502202 /nfs/dbraw/zinc/50/22/02/629502202.db2.gz QBPSPYBBPISCGM-GUYCJALGSA-N 0 0 312.413 3.277 20 10 DGCDRN O=C(NC[C@H](c1ccccc1)C1CC1)c1c(F)ccc(O)c1O ZINC000832826826 629519331 /nfs/dbraw/zinc/51/93/31/629519331.db2.gz ZHYCBTBZFOXUJW-CYBMUJFWSA-N 0 0 315.344 3.161 20 10 DGCDRN CC[C@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)C(F)F ZINC000833204132 629570104 /nfs/dbraw/zinc/57/01/04/629570104.db2.gz FETRCZFNBZMWIN-ZDUSSCGKSA-N 0 0 307.344 3.263 20 10 DGCDRN COc1ccc(O)c([C@@H](C)[NH2+][C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000833734027 629644076 /nfs/dbraw/zinc/64/40/76/629644076.db2.gz ZTVKOONQUVNROE-HWPZZCPQSA-N 0 0 319.332 3.016 20 10 DGCDRN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000833835309 629653950 /nfs/dbraw/zinc/65/39/50/629653950.db2.gz XLCQFLQABGDOGM-CHWSQXEVSA-N 0 0 314.385 3.023 20 10 DGCDRN CC1(C)CC[C@H]1C(=O)NCc1cccc(Br)c1O ZINC000834476445 629715619 /nfs/dbraw/zinc/71/56/19/629715619.db2.gz YSKKGOSUKGIIHN-JTQLQIEISA-N 0 0 312.207 3.207 20 10 DGCDRN COc1ccc(N(CCn2c(C)csc2=O)C(C)C)cc1F ZINC000101567392 629741042 /nfs/dbraw/zinc/74/10/42/629741042.db2.gz CDEDNIIHQFMWJM-UHFFFAOYSA-N 0 0 324.421 3.281 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCn2ccnc21)c1cccc(C(F)(F)F)c1[O-] ZINC000834831536 629785784 /nfs/dbraw/zinc/78/57/84/629785784.db2.gz JUXLDMKATUXMNN-BXKDBHETSA-N 0 0 311.307 3.403 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])[C@@H](C)O ZINC000834888221 629798660 /nfs/dbraw/zinc/79/86/60/629798660.db2.gz NPWQBHLFDAOASN-SXMVTHIZSA-N 0 0 320.202 3.104 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1cccc(Cl)c1[O-] ZINC000834896561 629801231 /nfs/dbraw/zinc/80/12/31/629801231.db2.gz LEFLXPKFCXJCJS-XHDPSFHLSA-N 0 0 307.825 3.451 20 10 DGCDRN CCCc1ncc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000834899191 629802039 /nfs/dbraw/zinc/80/20/39/629802039.db2.gz JIMIZCJOYVOBCD-JTQLQIEISA-N 0 0 305.334 3.092 20 10 DGCDRN C[C@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccc(Cl)c(Cl)c1[O-] ZINC000834908884 629805645 /nfs/dbraw/zinc/80/56/45/629805645.db2.gz MQDWHOMKZQMYPQ-RTHLEPHNSA-N 0 0 317.216 3.018 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCOCC2CCCC2)c1 ZINC000834910359 629806530 /nfs/dbraw/zinc/80/65/30/629806530.db2.gz OJKVCKZRAWXPGB-ZDUSSCGKSA-N 0 0 321.417 3.036 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCOC(C)(C)C2)c1 ZINC000834913051 629807632 /nfs/dbraw/zinc/80/76/32/629807632.db2.gz YXQVEDUPUMRXLJ-OLZOCXBDSA-N 0 0 321.417 3.035 20 10 DGCDRN CC(C)c1nnc([C@@H](C)NCC=Cc2ccc(N(C)C)cc2)[nH]1 ZINC000835042392 629832950 /nfs/dbraw/zinc/83/29/50/629832950.db2.gz UXFCWJXEJUYTRC-PSKZRQQASA-N 0 0 313.449 3.358 20 10 DGCDRN COC[C@H](NC/C=C\c1ccc(N(C)C)cc1)c1ccco1 ZINC000835043596 629833760 /nfs/dbraw/zinc/83/37/60/629833760.db2.gz SOOMPSADASYBSF-AATOQMJSSA-N 0 0 300.402 3.336 20 10 DGCDRN C[C@@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C ZINC000835044683 629833785 /nfs/dbraw/zinc/83/37/85/629833785.db2.gz NDUJPBLULYVZJE-HSBSLETESA-N 0 0 304.434 3.086 20 10 DGCDRN CCOC(=O)[C@@H](CC1CC1)NC/C=C/c1ccc(N(C)C)cc1 ZINC000835047355 629835877 /nfs/dbraw/zinc/83/58/77/629835877.db2.gz GNBJNMCUMINJCH-DUMMIQTOSA-N 0 0 316.445 3.087 20 10 DGCDRN CN(C)c1ccc(/C=C/CN2CCOc3cc(O)ccc3C2)cc1 ZINC000835054238 629838899 /nfs/dbraw/zinc/83/88/99/629838899.db2.gz TVXAWWDFIGDVHL-ONEGZZNKSA-N 0 0 324.424 3.366 20 10 DGCDRN COCc1nc(CNC/C=C/c2ccc(N(C)C)cc2)cs1 ZINC000835056001 629839556 /nfs/dbraw/zinc/83/95/56/629839556.db2.gz QULZCKMENGJEEY-SNAWJCMRSA-N 0 0 317.458 3.159 20 10 DGCDRN CC1(C)C[C@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)CCO1 ZINC000835059583 629840993 /nfs/dbraw/zinc/84/09/93/629840993.db2.gz JFVWOKNMIBICJX-SNVBAGLBSA-N 0 0 301.789 3.480 20 10 DGCDRN CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000835070482 629843437 /nfs/dbraw/zinc/84/34/37/629843437.db2.gz OMGRUZQYOZERPP-QGZVFWFLSA-N 0 0 309.381 3.085 20 10 DGCDRN C[C@H](NC(=O)N1CCC[C@](C)(F)C1)c1ccc(N(C)C)cc1 ZINC000836405362 630110107 /nfs/dbraw/zinc/11/01/07/630110107.db2.gz DLSOLFJEIDSZLZ-GUYCJALGSA-N 0 0 307.413 3.347 20 10 DGCDRN Cc1csc(CNC(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000836581522 630136719 /nfs/dbraw/zinc/13/67/19/630136719.db2.gz MGBXTWFKCNTROJ-UHFFFAOYSA-N 0 0 317.458 3.430 20 10 DGCDRN CCc1ncsc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000121447353 630140039 /nfs/dbraw/zinc/14/00/39/630140039.db2.gz CYUVJVXVFJLUCM-UHFFFAOYSA-N 0 0 303.431 3.010 20 10 DGCDRN CCCCN(C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000102577792 630159232 /nfs/dbraw/zinc/15/92/32/630159232.db2.gz WUGNNHGLETTYLV-UHFFFAOYSA-N 0 0 319.449 3.106 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C2CCC2)CCC1 ZINC000836781648 630161910 /nfs/dbraw/zinc/16/19/10/630161910.db2.gz OAXVKJWDZUDSFZ-GFCCVEGCSA-N 0 0 303.402 3.115 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCC1(C2CCC2)CCC1 ZINC000837216936 630228406 /nfs/dbraw/zinc/22/84/06/630228406.db2.gz DENALUQSZHPPAU-VURMDHGXSA-N 0 0 301.386 3.198 20 10 DGCDRN Cc1ccc(C(C)C)cc1OCC(=O)NCc1ccc(N)cc1 ZINC000837303277 630237367 /nfs/dbraw/zinc/23/73/67/630237367.db2.gz CXBLXIJCCAIHOZ-UHFFFAOYSA-N 0 0 312.413 3.396 20 10 DGCDRN Cc1cc(OCC(=O)NCc2ccc(N)cc2)ccc1C(C)C ZINC000837303286 630237407 /nfs/dbraw/zinc/23/74/07/630237407.db2.gz DKWDNFQNOKGAIY-UHFFFAOYSA-N 0 0 312.413 3.396 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(C)CCCCO1 ZINC000837368240 630248905 /nfs/dbraw/zinc/24/89/05/630248905.db2.gz FUHADNZKDQRPFH-GOSISDBHSA-N 0 0 304.434 3.060 20 10 DGCDRN O=C(NCCCSc1nccs1)c1[nH]ccc1C1CC1 ZINC000837414937 630255559 /nfs/dbraw/zinc/25/55/59/630255559.db2.gz SIDUXEVJIVLPRU-UHFFFAOYSA-N 0 0 307.444 3.261 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2[nH]ccc2C2CC2)c1 ZINC000837485646 630265592 /nfs/dbraw/zinc/26/55/92/630265592.db2.gz PSKUSRGGNOOZCM-SNVBAGLBSA-N 0 0 300.358 3.097 20 10 DGCDRN CC(C)(CC(=O)COC(=O)/C=C\c1ccc(O)c(O)c1)C1CC1 ZINC000837586605 630280441 /nfs/dbraw/zinc/28/04/41/630280441.db2.gz DMPUJAKQPXAJJN-YWEYNIOJSA-N 0 0 318.369 3.050 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)CC(F)(F)F)c1 ZINC000840870837 630369530 /nfs/dbraw/zinc/36/95/30/630369530.db2.gz AHHDFHRTRWRMGR-VHSXEESVSA-N 0 0 319.323 3.418 20 10 DGCDRN Cc1cc(O)c(CNc2ccn(CC(F)F)n2)c(Cl)c1 ZINC000840904629 630375236 /nfs/dbraw/zinc/37/52/36/630375236.db2.gz CDVPZEKKESHQFI-UHFFFAOYSA-N 0 0 301.724 3.428 20 10 DGCDRN COc1ccc(NCc2c(O)cc(C)cc2Cl)cc1CO ZINC000840907417 630375905 /nfs/dbraw/zinc/37/59/05/630375905.db2.gz XTTMPAQGDAXDMS-UHFFFAOYSA-N 0 0 307.777 3.467 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN(C)Cc1nccn1C(F)F ZINC000840909648 630376243 /nfs/dbraw/zinc/37/62/43/630376243.db2.gz GBSCSRJEIYRCPG-UHFFFAOYSA-N 0 0 308.376 3.285 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCCCC1 ZINC000840931657 630379853 /nfs/dbraw/zinc/37/98/53/630379853.db2.gz YJQZABCJZYQWEG-OAHLLOKOSA-N 0 0 303.450 3.188 20 10 DGCDRN Cc1cc(O)c(CN(CCCO)Cc2ccccn2)c(Cl)c1 ZINC000840949064 630382721 /nfs/dbraw/zinc/38/27/21/630382721.db2.gz PHYCLZYHEPOPDL-UHFFFAOYSA-N 0 0 320.820 3.134 20 10 DGCDRN CCOc1ccc(NCc2cc3c(cc2O)OCO3)c(F)c1 ZINC000840975679 630390211 /nfs/dbraw/zinc/39/02/11/630390211.db2.gz JSBUVXBLVXJKMM-UHFFFAOYSA-N 0 0 305.305 3.271 20 10 DGCDRN CN(C)c1ccc(/C=C\C[NH2+][C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000840995945 630392480 /nfs/dbraw/zinc/39/24/80/630392480.db2.gz XCMWEVWULYJASG-WMHRWZGDSA-N 0 0 324.424 3.051 20 10 DGCDRN O=C([O-])CC[C@@H](Cc1ccccc1)[NH2+]Cc1cc(F)ccc1O ZINC000840998762 630393224 /nfs/dbraw/zinc/39/32/24/630393224.db2.gz WHPLIORLNZQXRD-INIZCTEOSA-N 0 0 317.360 3.097 20 10 DGCDRN O=C([O-])[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000840997445 630393343 /nfs/dbraw/zinc/39/33/43/630393343.db2.gz KBSAEFCWKZMZOG-QGZVFWFLSA-N 0 0 302.418 3.116 20 10 DGCDRN CO[C@@H](CC(C)C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000841027954 630397947 /nfs/dbraw/zinc/39/79/47/630397947.db2.gz HLPSCGVTWPDABY-SFHVURJKSA-N 0 0 318.461 3.305 20 10 DGCDRN COc1c(C)ccc(NC(=O)NCCc2ccc(N)cc2)c1C ZINC000841034590 630400009 /nfs/dbraw/zinc/40/00/09/630400009.db2.gz AHQRDUYUPAUWAS-UHFFFAOYSA-N 0 0 313.401 3.258 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000841069472 630404307 /nfs/dbraw/zinc/40/43/07/630404307.db2.gz XHBSSUAZJCSNPO-INIZCTEOSA-N 0 0 320.795 3.161 20 10 DGCDRN CCCOc1ccc(NC(=O)NCCc2ccc(N)cc2)cc1 ZINC000841171750 630413385 /nfs/dbraw/zinc/41/33/85/630413385.db2.gz VIGXLXKBNQKIHC-UHFFFAOYSA-N 0 0 313.401 3.422 20 10 DGCDRN Nc1ccc(CCNC(=O)Nc2nc(C3CCC3)cs2)cc1 ZINC000841227616 630418124 /nfs/dbraw/zinc/41/81/24/630418124.db2.gz BVMXCGFIJLMAQG-UHFFFAOYSA-N 0 0 316.430 3.357 20 10 DGCDRN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)Nc2ccc(N)cc2)C1 ZINC000841295553 630424180 /nfs/dbraw/zinc/42/41/80/630424180.db2.gz BENYLJSHOOGAGC-YYQUZTFQSA-N 0 0 317.433 3.062 20 10 DGCDRN Nc1ccc(NC(=O)N(C[C@@H]2CCCO2)C2CCCC2)cc1 ZINC000841298721 630424634 /nfs/dbraw/zinc/42/46/34/630424634.db2.gz CUOBXVULXYEOBQ-INIZCTEOSA-N 0 0 303.406 3.224 20 10 DGCDRN CC(C)(C)c1csc(CCNC(=O)Nc2ccc(N)cc2)n1 ZINC000841300532 630425000 /nfs/dbraw/zinc/42/50/00/630425000.db2.gz RGYBDGMSWNXDNZ-UHFFFAOYSA-N 0 0 318.446 3.387 20 10 DGCDRN Nc1ccc(NC(=O)NC2(c3ccccc3)CCOCC2)cc1 ZINC000841300795 630425024 /nfs/dbraw/zinc/42/50/24/630425024.db2.gz VHMJMMKGURCPHB-UHFFFAOYSA-N 0 0 311.385 3.096 20 10 DGCDRN C[C@H](NC(=O)Nc1ccc(N)cc1)[C@@H]1OCCc2sccc21 ZINC000841299296 630425025 /nfs/dbraw/zinc/42/50/25/630425025.db2.gz IUNDGNQFWVRFSY-BONVTDFDSA-N 0 0 317.414 3.154 20 10 DGCDRN Nc1ccc(NC(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000841302212 630425589 /nfs/dbraw/zinc/42/55/89/630425589.db2.gz PNJOLFBQUDWHMG-UHFFFAOYSA-N 0 0 323.396 3.396 20 10 DGCDRN CO[C@@H](CC(C)C)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000841385153 630435373 /nfs/dbraw/zinc/43/53/73/630435373.db2.gz RSYZHSKJLGQCCE-SFHVURJKSA-N 0 0 318.461 3.354 20 10 DGCDRN COc1cc(F)cc(/C=C2/SC(=S)N(C3CC3)C2=O)c1 ZINC000841495401 630442354 /nfs/dbraw/zinc/44/23/54/630442354.db2.gz HHHPQNUSVSLGSK-WUXMJOGZSA-N 0 0 309.387 3.198 20 10 DGCDRN Nc1ccc(CCNC(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC000841666347 630452543 /nfs/dbraw/zinc/45/25/43/630452543.db2.gz AAILPXGBNCUTNH-SOLBZPMBSA-N 0 0 315.461 3.469 20 10 DGCDRN C[C@@H]1C[C@@H]1c1ccc(CNC(=O)NCCc2ccc(N)cc2)o1 ZINC000841718999 630459192 /nfs/dbraw/zinc/45/91/92/630459192.db2.gz YEEYSFMLSPMLRS-WBMJQRKESA-N 0 0 313.401 3.027 20 10 DGCDRN CCCC[C@H]1CCC[C@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841786053 630464524 /nfs/dbraw/zinc/46/45/24/630464524.db2.gz NIPXRYCCODVFGV-DOTOQJQBSA-N 0 0 303.450 3.469 20 10 DGCDRN CCCC[C@@H]1CCC[C@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841786055 630464544 /nfs/dbraw/zinc/46/45/44/630464544.db2.gz NIPXRYCCODVFGV-NVXWUHKLSA-N 0 0 303.450 3.469 20 10 DGCDRN O=C([O-])CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841812646 630467005 /nfs/dbraw/zinc/46/70/05/630467005.db2.gz OTUGPZNBOKIHML-GOEBONIOSA-N 0 0 303.402 3.135 20 10 DGCDRN CC(C)(CNC(=O)NCCc1ccc(N)cc1)c1cccs1 ZINC000841818778 630468559 /nfs/dbraw/zinc/46/85/59/630468559.db2.gz CAKBRUNZSJPWDM-UHFFFAOYSA-N 0 0 317.458 3.150 20 10 DGCDRN CC[C@H](CC[NH2+]Cc1ccc(N(CC)CC)c(F)c1)C(=O)[O-] ZINC000841820847 630468581 /nfs/dbraw/zinc/46/85/81/630468581.db2.gz VPXMUALZLQDUDH-CQSZACIVSA-N 0 0 310.413 3.262 20 10 DGCDRN Cc1ccc(CC[C@H](C)NC(=O)NCCc2ccc(N)cc2)o1 ZINC000841838609 630470699 /nfs/dbraw/zinc/47/06/99/630470699.db2.gz DNYTXUQCXJYRHG-ZDUSSCGKSA-N 0 0 315.417 3.033 20 10 DGCDRN C[C@H](c1ccccc1)[C@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841849503 630470825 /nfs/dbraw/zinc/47/08/25/630470825.db2.gz YGKOANMQMJPZSP-GJZGRUSLSA-N 0 0 311.429 3.303 20 10 DGCDRN CCn1cncc1C[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000841864595 630472295 /nfs/dbraw/zinc/47/22/95/630472295.db2.gz ZXLWJZQOBRUCLY-UHFFFAOYSA-N 0 0 312.461 3.429 20 10 DGCDRN Cc1ccc2c(c1)[C@@H](NC(=O)NCCc1ccc(N)cc1)CCC2 ZINC000841905736 630474634 /nfs/dbraw/zinc/47/46/34/630474634.db2.gz JFDUDDSYSOPRET-IBGZPJMESA-N 0 0 323.440 3.497 20 10 DGCDRN CC(C)[C@H]1CN(C(=O)NCCc2ccc(N)cc2)[C@H]1C(C)C ZINC000841956123 630476733 /nfs/dbraw/zinc/47/67/33/630476733.db2.gz VWWYTVJOXUPHCE-SJORKVTESA-N 0 0 303.450 3.133 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CCC[C@@]3(CC=CCC3)C2)cc1 ZINC000841955083 630476842 /nfs/dbraw/zinc/47/68/42/630476842.db2.gz ULSSVFYBWLXAIO-IBGZPJMESA-N 0 0 313.445 3.343 20 10 DGCDRN C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)[C@H]1c1ccccc1 ZINC000841955227 630477004 /nfs/dbraw/zinc/47/70/04/630477004.db2.gz WGSGGBQDHLYVPP-RDTXWAMCSA-N 0 0 309.413 3.214 20 10 DGCDRN CC(C)[C@H]1CCCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841955279 630477008 /nfs/dbraw/zinc/47/70/08/630477008.db2.gz YJYHMGJKWVMTPZ-INIZCTEOSA-N 0 0 303.450 3.279 20 10 DGCDRN CCCN(Cc1ccccc1)C(=O)NCCc1ccc(N)cc1 ZINC000841961747 630477135 /nfs/dbraw/zinc/47/71/35/630477135.db2.gz HGAYMLQTDNNQGJ-UHFFFAOYSA-N 0 0 311.429 3.433 20 10 DGCDRN CCc1ccc(F)cc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000867302492 630562678 /nfs/dbraw/zinc/56/26/78/630562678.db2.gz PVBPIADUAJSSLJ-LLVKDONJSA-N 0 0 317.360 3.160 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)[C@H]3C[C@H]3C(C)C)C2)cc1 ZINC000842875091 630587976 /nfs/dbraw/zinc/58/79/76/630587976.db2.gz JXXAATTXJSVKQH-WBAXXEDZSA-N 0 0 317.429 3.357 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)c3coc(C)c3)C2)cc1 ZINC000842875012 630588080 /nfs/dbraw/zinc/58/80/80/630588080.db2.gz JHZYJUKAAKXOQW-AWEZNQCLSA-N 0 0 315.369 3.280 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)[C@H]3C[C@@H]3C3CC3)C2)cc1 ZINC000842873370 630588149 /nfs/dbraw/zinc/58/81/49/630588149.db2.gz HHJGKCDPIYLIGI-XWIAVFTESA-N 0 0 315.413 3.111 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)CCCSC)C2)cc1 ZINC000842880306 630588499 /nfs/dbraw/zinc/58/84/99/630588499.db2.gz WNACDUGPZZYPIM-CQSZACIVSA-N 0 0 323.458 3.208 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)[C@@H](C)C(C)C)C2)cc1 ZINC000842880281 630588517 /nfs/dbraw/zinc/58/85/17/630588517.db2.gz WCGXWEMAHDXKPN-LSDHHAIUSA-N 0 0 305.418 3.357 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)C3=CCCC3)C2)cc1 ZINC000842879624 630588572 /nfs/dbraw/zinc/58/85/72/630588572.db2.gz RWVXZWFUVBCDTL-AWEZNQCLSA-N 0 0 301.386 3.175 20 10 DGCDRN CC[C@@H](SC)C(=O)OC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000842878151 630588674 /nfs/dbraw/zinc/58/86/74/630588674.db2.gz HTYFXQOTLOARKE-CZUORRHYSA-N 0 0 323.458 3.206 20 10 DGCDRN CC/C=C(/C)C(=O)OC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000842878602 630588709 /nfs/dbraw/zinc/58/87/09/630588709.db2.gz MZKVMJGVZFSJJI-AGKVCYSUSA-N 0 0 303.402 3.421 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)c3ccsc3)C2)cc1 ZINC000842882538 630588946 /nfs/dbraw/zinc/58/89/46/630588946.db2.gz XOIIYHLSRLMZNZ-ZDUSSCGKSA-N 0 0 317.410 3.440 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)C[C@@H]3C=CCC3)C2)cc1 ZINC000842881765 630589156 /nfs/dbraw/zinc/58/91/56/630589156.db2.gz RKXNAIGUIVWIRG-HZPDHXFCSA-N 0 0 315.413 3.421 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cc(Br)c(F)cc1[O-] ZINC000842928290 630594431 /nfs/dbraw/zinc/59/44/31/630594431.db2.gz JAIDBDXORDAAFM-HLTSFMKQSA-N 0 0 318.186 3.122 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1F ZINC000843039096 630606289 /nfs/dbraw/zinc/60/62/89/630606289.db2.gz ATXYSPZSEVJODN-DZGCQCFKSA-N 0 0 322.424 3.215 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1F ZINC000843039097 630606440 /nfs/dbraw/zinc/60/64/40/630606440.db2.gz ATXYSPZSEVJODN-HIFRSBDPSA-N 0 0 322.424 3.215 20 10 DGCDRN O=C([O-])[C@@H]1CC[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000843040764 630607205 /nfs/dbraw/zinc/60/72/05/630607205.db2.gz XWPMKPNBVOYKCH-WBVHZDCISA-N 0 0 311.381 3.402 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000843044486 630607465 /nfs/dbraw/zinc/60/74/65/630607465.db2.gz DGPASMZFXSLUAS-IAQYHMDHSA-N 0 0 312.816 3.149 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1CN1CCC([NH2+]CC2CC2)CC1 ZINC000843054475 630609582 /nfs/dbraw/zinc/60/95/82/630609582.db2.gz NFLUUBPLPZCKIO-UHFFFAOYSA-N 0 0 312.816 3.149 20 10 DGCDRN Nc1ccc(CN2CCCc3cc(OC(F)F)ccc32)cn1 ZINC000843070525 630611137 /nfs/dbraw/zinc/61/11/37/630611137.db2.gz VENFVOKIIHFWBW-UHFFFAOYSA-N 0 0 305.328 3.218 20 10 DGCDRN CCC[C@H]1C[C@H](c2nc(Cc3ccc(N)cc3)no2)CCO1 ZINC000843158648 630623034 /nfs/dbraw/zinc/62/30/34/630623034.db2.gz FQDYTIZJRUKZKO-HIFRSBDPSA-N 0 0 301.390 3.305 20 10 DGCDRN Cc1cc(-c2nc(Cc3ccc(N)cc3)no2)nn1C(C)(C)C ZINC000843160435 630623302 /nfs/dbraw/zinc/62/33/02/630623302.db2.gz YFSAZEPSGDAGOX-UHFFFAOYSA-N 0 0 311.389 3.170 20 10 DGCDRN Nc1ccc(Cc2noc(-c3noc4c3CCCCC4)n2)cc1 ZINC000843160791 630623586 /nfs/dbraw/zinc/62/35/86/630623586.db2.gz IYAZUUIIKCDOMI-UHFFFAOYSA-N 0 0 310.357 3.167 20 10 DGCDRN C[C@H]1C[C@@H]1c1noc(-c2csc(Cc3ccc(N)cc3)n2)n1 ZINC000843189733 630630985 /nfs/dbraw/zinc/63/09/85/630630985.db2.gz CBIAYQJNLOERKX-CABZTGNLSA-N 0 0 312.398 3.490 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000843304028 630644101 /nfs/dbraw/zinc/64/41/01/630644101.db2.gz RDOMWGLVYZTQRF-JKSUJKDBSA-N 0 0 304.434 3.266 20 10 DGCDRN CC(C)Cn1nccc1CN1CCOc2cc(N(C)C)ccc21 ZINC000843403694 630653098 /nfs/dbraw/zinc/65/30/98/630653098.db2.gz JVJKQJMFKAUXMY-UHFFFAOYSA-N 0 0 314.433 3.004 20 10 DGCDRN CCOc1ccc(CNc2ccccc2C[S@@](C)=O)c(O)c1 ZINC000843404006 630653240 /nfs/dbraw/zinc/65/32/40/630653240.db2.gz OYKZVAPXSQUBLM-JOCHJYFZSA-N 0 0 319.426 3.282 20 10 DGCDRN CC[N@H+](CCSC)Cc1cccc(Br)c1[O-] ZINC000843437309 630659628 /nfs/dbraw/zinc/65/96/28/630659628.db2.gz AVAXWQBXQNKCTO-UHFFFAOYSA-N 0 0 304.253 3.340 20 10 DGCDRN Nc1ccc(CC(=O)N2CCc3sc(Cl)cc3C2)cc1 ZINC000843504715 630663438 /nfs/dbraw/zinc/66/34/38/630663438.db2.gz QBMFNDDYFROULW-UHFFFAOYSA-N 0 0 306.818 3.111 20 10 DGCDRN CSc1cccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000843581270 630674725 /nfs/dbraw/zinc/67/47/25/630674725.db2.gz QVRMEFIXBJZJQP-LBPRGKRZSA-N 0 0 315.442 3.361 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C2(C(F)F)CC2)cc1F ZINC000843794307 630701036 /nfs/dbraw/zinc/70/10/36/630701036.db2.gz IYNZAXDQCOJOPZ-UHFFFAOYSA-N 0 0 314.351 3.333 20 10 DGCDRN Cc1cc(C(=O)N[C@H]2CO[C@@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000844104404 630709570 /nfs/dbraw/zinc/70/95/70/630709570.db2.gz DKGJDMDBZCHWHW-GOEBONIOSA-N 0 0 312.413 3.310 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCCC[C@H]1C1CCC1 ZINC000844124224 630710144 /nfs/dbraw/zinc/71/01/44/630710144.db2.gz RSKAKEVSMBACTE-WWRUEGTHSA-N 0 0 301.386 3.292 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1[O-] ZINC000844470443 630732913 /nfs/dbraw/zinc/73/29/13/630732913.db2.gz HWTSIFOFJNZXAI-CQSZACIVSA-N 0 0 315.747 3.479 20 10 DGCDRN CSc1cccnc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000844484833 630734166 /nfs/dbraw/zinc/73/41/66/630734166.db2.gz IMQMNVBXOMALMO-LBPRGKRZSA-N 0 0 315.442 3.361 20 10 DGCDRN CC(C)n1nccc1NC(=O)NCc1cc(Cl)ccc1O ZINC000844492219 630734693 /nfs/dbraw/zinc/73/46/93/630734693.db2.gz MSKRSNXFPPKYNK-UHFFFAOYSA-N 0 0 308.769 3.145 20 10 DGCDRN CCCC(C)(C)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000844601691 630742411 /nfs/dbraw/zinc/74/24/11/630742411.db2.gz HMXJRHMXOAUQDP-OAHLLOKOSA-N 0 0 318.461 3.464 20 10 DGCDRN CCn1nc(C)c(NC(=O)NCc2cc(Cl)ccc2O)c1C ZINC000844604825 630742666 /nfs/dbraw/zinc/74/26/66/630742666.db2.gz XGQBFOIUICDUPI-UHFFFAOYSA-N 0 0 322.796 3.201 20 10 DGCDRN CC[C@@H](C(=O)OC(C)(C)C)N(C)Cc1cc(OC)c(C)cc1O ZINC000844759039 630845311 /nfs/dbraw/zinc/84/53/11/630845311.db2.gz OZCNTXOBGSUWLL-AWEZNQCLSA-N 0 0 323.433 3.261 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)CCC(C)(F)F)cc1 ZINC000844853049 630942914 /nfs/dbraw/zinc/94/29/14/630942914.db2.gz RMOBOQMCRVEKGU-UHFFFAOYSA-N 0 0 314.376 3.025 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)c2cccc(F)c2)cc1 ZINC000844852622 630943224 /nfs/dbraw/zinc/94/32/24/630943224.db2.gz TYRMUIMXNTZMIM-UHFFFAOYSA-N 0 0 316.376 3.043 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)NC[C@H]1CC1(Cl)Cl ZINC000844859203 630948371 /nfs/dbraw/zinc/94/83/71/630948371.db2.gz DAEDXRPCNZBENZ-MRVPVSSYSA-N 0 0 323.607 3.039 20 10 DGCDRN COc1cccc(CNC(=O)CCc2cccc(Cl)c2)c1O ZINC000105652199 630950618 /nfs/dbraw/zinc/95/06/18/630950618.db2.gz OXDIJHGRGOPVKE-UHFFFAOYSA-N 0 0 319.788 3.303 20 10 DGCDRN [O-]c1c(F)cccc1C[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000844911998 630977254 /nfs/dbraw/zinc/97/72/54/630977254.db2.gz QOWNDTYNQCLUTR-HNNXBMFYSA-N 0 0 300.377 3.438 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CNc2ccccc2C1)c1cc(F)cc(F)c1[O-] ZINC000844920867 630982691 /nfs/dbraw/zinc/98/26/91/630982691.db2.gz NQVCRIWQRDKKSU-MFKMUULPSA-N 0 0 304.340 3.358 20 10 DGCDRN Cc1cc(O)c(C[NH2+]C[C@@](C)(C(=O)[O-])c2ccccc2)cc1C ZINC000844940719 630997990 /nfs/dbraw/zinc/99/79/90/630997990.db2.gz YBCUKCUOXMKRNK-LJQANCHMSA-N 0 0 313.397 3.141 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC12CCCC2 ZINC000844989524 631025032 /nfs/dbraw/zinc/02/50/32/631025032.db2.gz JJXIYCAHYYVQBU-UHFFFAOYSA-N 0 0 301.434 3.289 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCCC1(F)F ZINC000845197920 631131454 /nfs/dbraw/zinc/13/14/54/631131454.db2.gz RYDPRPFMILVRMV-NSHDSACASA-N 0 0 304.724 3.033 20 10 DGCDRN Oc1ccc(Cl)cc1CNc1nccc(N2CCCC2)n1 ZINC000845709538 631190659 /nfs/dbraw/zinc/19/06/59/631190659.db2.gz UDXWYOCTQFTVKU-UHFFFAOYSA-N 0 0 304.781 3.048 20 10 DGCDRN CCC[C@@H](C)S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000845824740 631197753 /nfs/dbraw/zinc/19/77/53/631197753.db2.gz FFDPKKUPHIVSCN-CQSZACIVSA-N 0 0 324.490 3.235 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1cc2cnccc2o1 ZINC000845958687 631203769 /nfs/dbraw/zinc/20/37/69/631203769.db2.gz QSWFHRVDDVJNGB-UHFFFAOYSA-N 0 0 309.369 3.293 20 10 DGCDRN COCCOc1ccc(CN(C)c2ccc(OC)cc2)cc1 ZINC000845999681 631205292 /nfs/dbraw/zinc/20/52/92/631205292.db2.gz XNSFOXCBKGOPTL-UHFFFAOYSA-N 0 0 301.386 3.357 20 10 DGCDRN COc1cccc([C@H](C)N[C@H]2COc3cc(F)cc(F)c32)c1O ZINC000846162073 631213072 /nfs/dbraw/zinc/21/30/72/631213072.db2.gz GHBRTNKMEZBPQD-ZANVPECISA-N 0 0 321.323 3.463 20 10 DGCDRN C[C@H]([NH2+]C[C@@]1(CO)CCc2ccccc21)c1ccc(F)cc1[O-] ZINC000846177316 631213469 /nfs/dbraw/zinc/21/34/69/631213469.db2.gz AAKDTNCQUSDXOZ-ORAYPTAESA-N 0 0 315.388 3.058 20 10 DGCDRN CC[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000846187938 631214479 /nfs/dbraw/zinc/21/44/79/631214479.db2.gz CXAUSYPRKCYQON-RNSXUZJQSA-N 0 0 317.216 3.004 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC(C)(C)c2ncc[nH]2)cc1 ZINC000846243438 631216368 /nfs/dbraw/zinc/21/63/68/631216368.db2.gz BPKFNDBAOMSYJX-UHFFFAOYSA-N 0 0 322.412 3.482 20 10 DGCDRN Cc1cc(C[N@@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)ccc1N(C)C ZINC000846284801 631221381 /nfs/dbraw/zinc/22/13/81/631221381.db2.gz ORDCPDXQEUTEDP-MRXNPFEDSA-N 0 0 318.461 3.384 20 10 DGCDRN CC[C@@H](C)CC[C@H](O)CC(=O)NCc1cc(Cl)ccc1O ZINC000846473514 631249553 /nfs/dbraw/zinc/24/95/53/631249553.db2.gz MRACJDBYJYPNHH-RISCZKNCSA-N 0 0 313.825 3.239 20 10 DGCDRN CCC[C@H]1C[C@@H](C(=O)NCc2cc(Cl)ccc2O)CCO1 ZINC000846472946 631249557 /nfs/dbraw/zinc/24/95/57/631249557.db2.gz GYBKROWZLLHXRU-FZMZJTMJSA-N 0 0 311.809 3.257 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCCC(F)(F)C1 ZINC000846475941 631250396 /nfs/dbraw/zinc/25/03/96/631250396.db2.gz HDCKITAPMYRWKH-SECBINFHSA-N 0 0 303.736 3.487 20 10 DGCDRN C[C@@H](CC(=O)NCc1cc(Cl)ccc1O)c1cccnc1 ZINC000846476711 631250432 /nfs/dbraw/zinc/25/04/32/631250432.db2.gz OVLKKBXTVNFOJH-NSHDSACASA-N 0 0 304.777 3.251 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1coc2c1C(=O)CCC2 ZINC000846477495 631251420 /nfs/dbraw/zinc/25/14/20/631251420.db2.gz RKTNBMNURGSNJJ-UHFFFAOYSA-N 0 0 319.744 3.088 20 10 DGCDRN COc1cc(NC(=O)C2=CC(=O)CS2)c(OC)c(C)c1OC ZINC000846951632 631363270 /nfs/dbraw/zinc/36/32/70/631363270.db2.gz ZEZMBQIRWUOXFV-UHFFFAOYSA-N 0 0 323.370 3.040 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2cnc(Cl)c(F)c2)cc1 ZINC000847304291 631456756 /nfs/dbraw/zinc/45/67/56/631456756.db2.gz MERAESLRZSDPKT-UHFFFAOYSA-N 0 0 321.783 3.212 20 10 DGCDRN COc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)o1 ZINC000847400872 631472045 /nfs/dbraw/zinc/47/20/45/631472045.db2.gz ZIGVAVOIOSBZAT-UHFFFAOYSA-N 0 0 314.385 3.209 20 10 DGCDRN CCO/C=C\C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000847474010 631480296 /nfs/dbraw/zinc/48/02/96/631480296.db2.gz DLPXEIZNOMYHES-RAXLEYEMSA-N 0 0 302.418 3.089 20 10 DGCDRN C/C(=C\c1ccccn1)C(=O)NCCCSc1nccs1 ZINC000847488096 631481401 /nfs/dbraw/zinc/48/14/01/631481401.db2.gz SUHXMUALIYEMFX-VAWYXSNFSA-N 0 0 319.455 3.240 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)CCCCC(=O)OC(C)(C)C ZINC000847570066 631491549 /nfs/dbraw/zinc/49/15/49/631491549.db2.gz LLZYLQFRXHNABP-UHFFFAOYSA-N 0 0 321.417 3.253 20 10 DGCDRN C/C(=C\c1ccccn1)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000847591128 631494158 /nfs/dbraw/zinc/49/41/58/631494158.db2.gz QETVQBFBEYKKGS-WYMLVPIESA-N 0 0 322.408 3.386 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cc(Cl)ccc1O ZINC000006091806 631507859 /nfs/dbraw/zinc/50/78/59/631507859.db2.gz BMJMDUJTMNZSSA-QHHAFSJGSA-N 0 0 305.717 3.109 20 10 DGCDRN Cc1ccc([C@@H](NC(=O)Cc2ccc(N)cc2)C(F)(F)F)o1 ZINC000848437090 631661783 /nfs/dbraw/zinc/66/17/83/631661783.db2.gz DFIIOEXFLDIUGS-CQSZACIVSA-N 0 0 312.291 3.133 20 10 DGCDRN COc1cc(CN(C)Cc2nc(C)no2)c(O)c(C(C)(C)C)c1 ZINC000848503370 631671072 /nfs/dbraw/zinc/67/10/72/631671072.db2.gz CBJTYEJYMOTTLF-UHFFFAOYSA-N 0 0 319.405 3.022 20 10 DGCDRN Cc1ccc(O)c(CN[C@H](C[C@@H]2CCCO2)C(F)(F)F)c1 ZINC000848571186 631697974 /nfs/dbraw/zinc/69/79/74/631697974.db2.gz DSOCVWXEUHSUOG-GXTWGEPZSA-N 0 0 303.324 3.290 20 10 DGCDRN COC(=O)Cc1ccccc1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000848573568 631699180 /nfs/dbraw/zinc/69/91/80/631699180.db2.gz VOWFEXQGDFGNHK-GFCCVEGCSA-N 0 0 317.360 3.098 20 10 DGCDRN COc1ccc(C[NH2+][C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1C ZINC000848639363 631714849 /nfs/dbraw/zinc/71/48/49/631714849.db2.gz IRHWMYUUUUEVIZ-VHDGCEQUSA-N 0 0 305.418 3.229 20 10 DGCDRN COc1cccc(CNc2cc(SC)nc(SC)n2)c1O ZINC000848662169 631722783 /nfs/dbraw/zinc/72/27/83/631722783.db2.gz KPJSNLAQMZPYPA-UHFFFAOYSA-N 0 0 323.443 3.247 20 10 DGCDRN CCc1cccc(CN2CCN(C(=O)C(CC)CC)CC2)c1O ZINC000848881711 631769013 /nfs/dbraw/zinc/76/90/13/631769013.db2.gz RLILDHAHQDDLGX-UHFFFAOYSA-N 0 0 318.461 3.035 20 10 DGCDRN CCc1cccc(CN2Cc3ccc(C(=O)OC)cc3C2)c1O ZINC000848883617 631771250 /nfs/dbraw/zinc/77/12/50/631771250.db2.gz ANZYWGATYUMZTI-UHFFFAOYSA-N 0 0 311.381 3.257 20 10 DGCDRN CCc1cccc(CN[C@@H](C(=O)OC)c2ccccc2F)c1O ZINC000848904329 631780957 /nfs/dbraw/zinc/78/09/57/631780957.db2.gz QISTXNAKBNPLRU-MRXNPFEDSA-N 0 0 317.360 3.098 20 10 DGCDRN CCc1cccc(CN2C[C@H](C(F)(F)F)OC[C@@H]2C)c1O ZINC000848910151 631783349 /nfs/dbraw/zinc/78/33/49/631783349.db2.gz HJLYIEHNGQMZRY-GXFFZTMASA-N 0 0 303.324 3.106 20 10 DGCDRN CCc1cccc(CN2CCC(=O)Nc3cc(F)ccc32)c1O ZINC000848913165 631784110 /nfs/dbraw/zinc/78/41/10/631784110.db2.gz PXFNAMPVHJDEBZ-UHFFFAOYSA-N 0 0 314.360 3.443 20 10 DGCDRN CCc1cccc(CNc2cnn(C3CCOCC3)c2C)c1O ZINC000848914997 631784893 /nfs/dbraw/zinc/78/48/93/631784893.db2.gz WLPIVFSUIYJNMF-UHFFFAOYSA-N 0 0 315.417 3.423 20 10 DGCDRN CCc1cccc(CN(C)Cc2csc(C(C)(C)O)n2)c1O ZINC000848915050 631785445 /nfs/dbraw/zinc/78/54/45/631785445.db2.gz RHEZAKLHFDMGMJ-UHFFFAOYSA-N 0 0 320.458 3.271 20 10 DGCDRN Cc1cc(Br)cc(CN2CC3(CC3(F)F)C2)c1O ZINC000848922467 631788850 /nfs/dbraw/zinc/78/88/50/631788850.db2.gz TXCOBNOYMRIINY-UHFFFAOYSA-N 0 0 318.161 3.304 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000848927827 631790744 /nfs/dbraw/zinc/79/07/44/631790744.db2.gz OIOMPURRZWRXIO-HUUCEWRRSA-N 0 0 312.816 3.291 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000848927253 631790774 /nfs/dbraw/zinc/79/07/74/631790774.db2.gz DHYZRIGEKSNBJK-CABCVRRESA-N 0 0 312.816 3.291 20 10 DGCDRN CCCN(CCC)c1ccc(C[NH2+][C@H]2C[C@H](C(=O)[O-])C2)cc1 ZINC000849232427 631859366 /nfs/dbraw/zinc/85/93/66/631859366.db2.gz ZHHPGTBPFXDLHO-WKILWMFISA-N 0 0 304.434 3.266 20 10 DGCDRN CN1C(=O)/C(=C\c2cn(C3CCC3)nn2)c2cc(Cl)ccc21 ZINC000849247585 631864442 /nfs/dbraw/zinc/86/44/42/631864442.db2.gz CXXMLQQWULKNJN-ZSOIEALJSA-N 0 0 314.776 3.174 20 10 DGCDRN CC(=O)[C@@H](C)CCOC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000849680169 631934649 /nfs/dbraw/zinc/93/46/49/631934649.db2.gz OFHRFFGTZFAZCJ-LBPRGKRZSA-N 0 0 314.385 3.261 20 10 DGCDRN CC1(C)[C@@H](C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1(F)F ZINC000850393383 632138009 /nfs/dbraw/zinc/13/80/09/632138009.db2.gz BPRYUBZIXMQIOM-SNVBAGLBSA-N 0 0 320.723 3.335 20 10 DGCDRN COC[C@@H](CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])OC ZINC000850485440 632167105 /nfs/dbraw/zinc/16/71/05/632167105.db2.gz IDLZLUDAEYGXOY-VHSXEESVSA-N 0 0 322.232 3.401 20 10 DGCDRN C[C@H]([NH2+][C@H](CO)C1CCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000850487711 632167541 /nfs/dbraw/zinc/16/75/41/632167541.db2.gz JLANVXBDGOFBPX-TVQRCGJNSA-N 0 0 303.324 3.223 20 10 DGCDRN C[C@H](CN1CCC(C)CC1)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000850544116 632188267 /nfs/dbraw/zinc/18/82/67/632188267.db2.gz TUPRETARZZTSTJ-OLZOCXBDSA-N 0 0 312.404 3.441 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(F)cc1[O-] ZINC000850553884 632190957 /nfs/dbraw/zinc/19/09/57/632190957.db2.gz ALMHKVAQDNCQKW-IUODEOHRSA-N 0 0 322.424 3.219 20 10 DGCDRN CC[C@@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1ccc(F)cc1[O-] ZINC000850573454 632198287 /nfs/dbraw/zinc/19/82/87/632198287.db2.gz MBFXGLVOPNMGTQ-OAHLLOKOSA-N 0 0 322.424 3.398 20 10 DGCDRN CN(CC(=O)Nc1cccc(Cl)c1)Cc1ccccc1O ZINC000109773404 632316640 /nfs/dbraw/zinc/31/66/40/632316640.db2.gz ACOLOLREVRQLKA-UHFFFAOYSA-N 0 0 304.777 3.116 20 10 DGCDRN Cc1cccc2c1CCC[C@H]2NC(=O)NCCc1ccc(N)cc1 ZINC000851664672 632467940 /nfs/dbraw/zinc/46/79/40/632467940.db2.gz IJGYPEZHLOYBBU-LJQANCHMSA-N 0 0 323.440 3.497 20 10 DGCDRN COc1cc(N(C)C[C@@H](OC)C2CCCC2)cc(OC)c1OC ZINC000851783282 632492066 /nfs/dbraw/zinc/49/20/66/632492066.db2.gz LYAMXAVNZBABES-QGZVFWFLSA-N 0 0 323.433 3.354 20 10 DGCDRN COc1ccc(N(CC(C)C)C[C@H](OC)[C@@H]2CCOC2)cc1 ZINC000851829496 632504340 /nfs/dbraw/zinc/50/43/40/632504340.db2.gz IFNSNMAHWQQCSH-QAPCUYQASA-N 0 0 307.434 3.209 20 10 DGCDRN COC(CCN1CCCc2cc(OC(F)F)ccc21)OC ZINC000851824778 632504753 /nfs/dbraw/zinc/50/47/53/632504753.db2.gz LQQNXMAGHNCGTJ-UHFFFAOYSA-N 0 0 301.333 3.050 20 10 DGCDRN CO[C@H](C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)C1CCC1 ZINC000851840423 632506860 /nfs/dbraw/zinc/50/68/60/632506860.db2.gz GPXVWIZPXBQFAS-IEBWSBKVSA-N 0 0 319.445 3.188 20 10 DGCDRN COc1ccc(N(C)Cc2cnn(C(C)(C)C)c2)c(OC)c1 ZINC000851866005 632510943 /nfs/dbraw/zinc/51/09/43/632510943.db2.gz ZNIZAOUYWWVWSL-UHFFFAOYSA-N 0 0 303.406 3.292 20 10 DGCDRN C[C@H](NCC(F)(F)Br)c1ccc(N(C)C)cc1 ZINC000851950293 632528093 /nfs/dbraw/zinc/52/80/93/632528093.db2.gz NIRWCCZUISUCRR-VIFPVBQESA-N 0 0 307.182 3.391 20 10 DGCDRN CN(C[C@@H]1CC1(C)C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000852138667 632561515 /nfs/dbraw/zinc/56/15/15/632561515.db2.gz QTYUVXAFBGWJNO-INIZCTEOSA-N 0 0 313.445 3.250 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000852385732 632598186 /nfs/dbraw/zinc/59/81/86/632598186.db2.gz SQWNKGQGDONPJB-USXIJHARSA-N 0 0 315.461 3.043 20 10 DGCDRN CCO[C@@H](CCNC(=O)NCc1ccc(N(C)C)cc1)C(C)C ZINC000072731338 660216295 /nfs/dbraw/zinc/21/62/95/660216295.db2.gz YHFYDMHUXZMKJH-KRWDZBQOSA-N 0 0 321.465 3.003 20 10 DGCDRN O=C(C1=COCCC1)N(Cc1ccco1)Cc1ccccc1O ZINC000173671048 659396094 /nfs/dbraw/zinc/39/60/94/659396094.db2.gz MPFAKIXBDPMIHF-UHFFFAOYSA-N 0 0 313.353 3.208 20 10 DGCDRN CCCCOCC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000173672288 659396517 /nfs/dbraw/zinc/39/65/17/659396517.db2.gz WITZJOICOHJATC-UHFFFAOYSA-N 0 0 317.385 3.331 20 10 DGCDRN CCOC(=O)CN(Cc1cccs1)c1ccc(OC)cc1 ZINC000072982617 660234275 /nfs/dbraw/zinc/23/42/75/660234275.db2.gz BYUXCZOJFFJFLG-UHFFFAOYSA-N 0 0 305.399 3.326 20 10 DGCDRN CC[C@@H]1Cc2ccccc2CN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000186041542 660263664 /nfs/dbraw/zinc/26/36/64/660263664.db2.gz AAIGUJGACKAVFZ-SYJIQKIWSA-N 0 0 323.392 3.475 20 10 DGCDRN C[C@@H](Nc1cnn(Cc2ccccn2)c1)c1cc(F)ccc1O ZINC000186390765 660380360 /nfs/dbraw/zinc/38/03/60/660380360.db2.gz RPXDBKRLZLEJRL-GFCCVEGCSA-N 0 0 312.348 3.344 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@H](c1ccccc1)N(C)C ZINC000186457421 660443441 /nfs/dbraw/zinc/44/34/41/660443441.db2.gz WESWTOPVHCWSRG-FZKQIMNGSA-N 0 0 302.393 3.312 20 10 DGCDRN OCCc1ccc(NCc2cc(Br)ccc2O)cc1 ZINC000228128580 660532725 /nfs/dbraw/zinc/53/27/25/660532725.db2.gz HGNVUHKBJAUWSZ-UHFFFAOYSA-N 0 0 322.202 3.302 20 10 DGCDRN COc1cccc(CNC(=O)NC[C@H]2CCC[C@@H](C)C2)c1O ZINC000073831894 660565418 /nfs/dbraw/zinc/56/54/18/660565418.db2.gz XYXPZPWCWYQTQR-OLZOCXBDSA-N 0 0 306.406 3.026 20 10 DGCDRN COC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000186776188 660574283 /nfs/dbraw/zinc/57/42/83/660574283.db2.gz LWBSPINMLFKSGD-RYUDHWBXSA-N 0 0 324.396 3.049 20 10 DGCDRN C[C@@H]1CN(Cc2c(O)cccc2Br)CC(C)(C)O1 ZINC000707150896 660894012 /nfs/dbraw/zinc/89/40/12/660894012.db2.gz VVRJRHCEIVMCBQ-SNVBAGLBSA-N 0 0 314.223 3.154 20 10 DGCDRN C[C@@H](O)C[C@@H](C)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708097937 660918040 /nfs/dbraw/zinc/91/80/40/660918040.db2.gz ATUDMRWGGNALMD-HTQZYQBOSA-N 0 0 322.630 3.057 20 10 DGCDRN Cn1c2ccc(NC(=O)c3cccc(O)c3O)cc2nc1C1CC1 ZINC000187212292 660968983 /nfs/dbraw/zinc/96/89/83/660968983.db2.gz YDHNFZSGHUWQQA-UHFFFAOYSA-N 0 0 323.352 3.114 20 10 DGCDRN COCCC[C@H](Cc1ccccc1)NC(=O)C1=CC(=O)CS1 ZINC000792668154 660978529 /nfs/dbraw/zinc/97/85/29/660978529.db2.gz COEGMULHDLBMQJ-CQSZACIVSA-N 0 0 319.426 3.221 20 10 DGCDRN CC[C@H]1COCCN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792789113 660984637 /nfs/dbraw/zinc/98/46/37/660984637.db2.gz UYOHZQIRBUOFFN-ZDUSSCGKSA-N 0 0 316.367 3.382 20 10 DGCDRN COc1ccc(CNC(=O)NCC(C)(C)CC(C)C)c(O)c1 ZINC000792977767 660998128 /nfs/dbraw/zinc/99/81/28/660998128.db2.gz NLOPJWNDWNTRLQ-UHFFFAOYSA-N 0 0 308.422 3.272 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H]2CCCCC2(C)C)c(O)c1 ZINC000792998936 660999039 /nfs/dbraw/zinc/99/90/39/660999039.db2.gz VIAJJTXOFFTRQC-OAHLLOKOSA-N 0 0 306.406 3.169 20 10 DGCDRN COc1ccc(CNC(=O)NC2CCC(C(C)C)CC2)c(O)c1 ZINC000793002635 660999664 /nfs/dbraw/zinc/99/96/64/660999664.db2.gz AXSFGULNQBMFGP-UHFFFAOYSA-N 0 0 320.433 3.415 20 10 DGCDRN C[C@H]1CC[C@H](CNC(=O)NCCCSc2nccs2)C1 ZINC000793104383 661005079 /nfs/dbraw/zinc/00/50/79/661005079.db2.gz QYKYSCUZKZWKKV-RYUDHWBXSA-N 0 0 313.492 3.361 20 10 DGCDRN C[C@@H]1CC[C@@H](CNC(=O)NCCCSc2nccs2)C1 ZINC000793104386 661005161 /nfs/dbraw/zinc/00/51/61/661005161.db2.gz QYKYSCUZKZWKKV-VXGBXAGGSA-N 0 0 313.492 3.361 20 10 DGCDRN CC[C@H](C)[C@H](OC)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000793107711 661005224 /nfs/dbraw/zinc/00/52/24/661005224.db2.gz PVOPVKJLTLAIAP-YOEHRIQHSA-N 0 0 306.450 3.210 20 10 DGCDRN C[C@@H]1CC[C@H](CNC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000793275095 661020420 /nfs/dbraw/zinc/02/04/20/661020420.db2.gz VMNNBCCRBSQIPB-ZBFHGGJFSA-N 0 0 303.450 3.330 20 10 DGCDRN CC[C@@H](C)CC[C@@H](O)CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000793281430 661020725 /nfs/dbraw/zinc/02/07/25/661020725.db2.gz QMDXOEFENXRIKA-UKRRQHHQSA-N 0 0 324.440 3.085 20 10 DGCDRN CC[C@@H](C)CC[C@H](O)CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000793281428 661020892 /nfs/dbraw/zinc/02/08/92/661020892.db2.gz QMDXOEFENXRIKA-HIFRSBDPSA-N 0 0 324.440 3.085 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]2CCC[C@@H](OC)C2)c1 ZINC000793688679 661053317 /nfs/dbraw/zinc/05/33/17/661053317.db2.gz GUFLEXBLPRYZKO-BFHYXJOUSA-N 0 0 321.417 3.173 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2coc3cc(F)ccc23)c1 ZINC000793689432 661053378 /nfs/dbraw/zinc/05/33/78/661053378.db2.gz MBGVUFOBJKAKTQ-UHFFFAOYSA-N 0 0 315.300 3.216 20 10 DGCDRN COc1ccc(CNC(=O)[C@@H]2CCCc3ccccc32)c(O)c1 ZINC000794376579 661081423 /nfs/dbraw/zinc/08/14/23/661081423.db2.gz GISILZWARKZHSH-QGZVFWFLSA-N 0 0 311.381 3.137 20 10 DGCDRN COc1ccc(CNC(=O)c2cccc(-n3cccc3)c2)c(O)c1 ZINC000794376883 661081579 /nfs/dbraw/zinc/08/15/79/661081579.db2.gz KTDGSYRTQVUHID-UHFFFAOYSA-N 0 0 322.364 3.122 20 10 DGCDRN COc1ccc(CNC(=O)c2ccccc2OC(C)C)c(O)c1 ZINC000794378974 661081745 /nfs/dbraw/zinc/08/17/45/661081745.db2.gz HZAREFMTBPYLEI-UHFFFAOYSA-N 0 0 315.369 3.118 20 10 DGCDRN CC[C@H]1CCCC[C@H]1OCC(=O)NCc1ccc(OC)cc1O ZINC000794387283 661082191 /nfs/dbraw/zinc/08/21/91/661082191.db2.gz HTERYFSMTQJJLC-SUMWQHHRSA-N 0 0 321.417 3.002 20 10 DGCDRN COc1ccc(CNC(=O)[C@@H](C)Cc2ccc(F)cc2)c(O)c1 ZINC000794390715 661082457 /nfs/dbraw/zinc/08/24/57/661082457.db2.gz PAADDLNATIMAOX-LBPRGKRZSA-N 0 0 317.360 3.035 20 10 DGCDRN Cc1cc(CN(Cc2ccco2)Cc2ccccc2O)ncn1 ZINC000794410796 661083329 /nfs/dbraw/zinc/08/33/29/661083329.db2.gz HTSAUQAHHAEXCV-UHFFFAOYSA-N 0 0 309.369 3.286 20 10 DGCDRN COc1ccc(CNC(=O)Nc2ccccc2Cl)c(O)c1 ZINC000794762596 661104315 /nfs/dbraw/zinc/10/43/15/661104315.db2.gz XPKDJJKBZXLRCL-UHFFFAOYSA-N 0 0 306.749 3.376 20 10 DGCDRN Cc1csc2ncnc(NCCc3ccc(O)c(O)c3)c12 ZINC000794783279 661104952 /nfs/dbraw/zinc/10/49/52/661104952.db2.gz KNAZINMCUPYIJM-UHFFFAOYSA-N 0 0 301.371 3.066 20 10 DGCDRN CC[C@@H](Nc1ccc(N(C)CCO)cn1)c1ccc(C)cc1O ZINC000794811793 661106736 /nfs/dbraw/zinc/10/67/36/661106736.db2.gz HYDCHTFQNGOWJF-MRXNPFEDSA-N 0 0 315.417 3.087 20 10 DGCDRN CCOC(=O)/C(=C/c1ccc2c(c1)CCN2C)c1ncccc1C ZINC000794955378 661116217 /nfs/dbraw/zinc/11/62/17/661116217.db2.gz XKUVICRSRPZGJA-GHRIWEEISA-N 0 0 322.408 3.486 20 10 DGCDRN COc1ccc(CNc2cc(OC)cc(F)c2[N+](=O)[O-])c(O)c1 ZINC000795286008 661138263 /nfs/dbraw/zinc/13/82/63/661138263.db2.gz XNADHAJPTHYCKW-UHFFFAOYSA-N 0 0 322.292 3.069 20 10 DGCDRN COc1ccc(CNc2ncnc3c(C)csc32)c(O)c1 ZINC000795285539 661138266 /nfs/dbraw/zinc/13/82/66/661138266.db2.gz RALRYGVIDLQZLD-UHFFFAOYSA-N 0 0 301.371 3.326 20 10 DGCDRN COc1ccc(CNc2cc(OC)c([N+](=O)[O-])cc2F)c(O)c1 ZINC000795291997 661138653 /nfs/dbraw/zinc/13/86/53/661138653.db2.gz JDZKEGFEWYSRAO-UHFFFAOYSA-N 0 0 322.292 3.069 20 10 DGCDRN CC(C)O[C@@H](COC(=O)c1cccc(O)c1O)c1ccccc1 ZINC000795537332 661158435 /nfs/dbraw/zinc/15/84/35/661158435.db2.gz XMQXPVBTWPSLAG-INIZCTEOSA-N 0 0 316.353 3.421 20 10 DGCDRN CC[C@H]1C[N@H+](Cc2cccc(Br)c2[O-])CCCO1 ZINC000305961582 655572493 /nfs/dbraw/zinc/57/24/93/655572493.db2.gz PBSHMNPLLZSHCA-LBPRGKRZSA-N 0 0 314.223 3.156 20 10 DGCDRN COc1cc(Cl)ccc1COC(=O)c1cccc(O)c1O ZINC000795595896 661162976 /nfs/dbraw/zinc/16/29/76/661162976.db2.gz XKPRFSHCFHHPCT-UHFFFAOYSA-N 0 0 308.717 3.117 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)CCO2 ZINC000045140987 655624503 /nfs/dbraw/zinc/62/45/03/655624503.db2.gz FPLRGHYPLGZDFG-UHFFFAOYSA-N 0 0 324.424 3.350 20 10 DGCDRN Cc1cc(O)c(CN2C[C@@H](C(F)(F)F)OC[C@@H]2C)cc1C ZINC000795694937 661168178 /nfs/dbraw/zinc/16/81/78/661168178.db2.gz UVZWEHBFNRMBSA-FZMZJTMJSA-N 0 0 303.324 3.161 20 10 DGCDRN CCc1nn(C)cc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093113102 655694150 /nfs/dbraw/zinc/69/41/50/655694150.db2.gz PVNREAYBSMZEKH-UHFFFAOYSA-N 0 0 314.216 3.285 20 10 DGCDRN Cc1ncccc1C=C1SC(NC2CCCCC2)=NC1=O ZINC000255353844 655704999 /nfs/dbraw/zinc/70/49/99/655704999.db2.gz GTXQJASEYLJDFV-GXDHUFHOSA-N 0 0 301.415 3.283 20 10 DGCDRN Cc1cc(C(=O)NC2CCOCC2)c(C)n1-c1cccc(C)c1 ZINC000064997568 655711578 /nfs/dbraw/zinc/71/15/78/655711578.db2.gz BJSJEKHUBKDKRM-UHFFFAOYSA-N 0 0 312.413 3.311 20 10 DGCDRN CN(C)c1ccc(CN[C@H](c2ncc[nH]2)c2ccc(F)cc2)cc1 ZINC000187705671 655727206 /nfs/dbraw/zinc/72/72/06/655727206.db2.gz WFLQJLYTSZCJQL-SFHVURJKSA-N 0 0 324.403 3.494 20 10 DGCDRN CCCOCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000065538983 655773842 /nfs/dbraw/zinc/77/38/42/655773842.db2.gz SZKLSTWVQIVNSK-UHFFFAOYSA-N 0 0 304.434 3.062 20 10 DGCDRN COc1cc(C)ccc1NC(=O)N(C)Cc1ccccc1O ZINC000052495095 655821464 /nfs/dbraw/zinc/82/14/64/655821464.db2.gz OEAVKDGQDCDIBQ-UHFFFAOYSA-N 0 0 300.358 3.373 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000283733475 655871754 /nfs/dbraw/zinc/87/17/54/655871754.db2.gz XXUUQTHPVZCWOM-INMHGKMJSA-N 0 0 318.417 3.024 20 10 DGCDRN Cc1cc(C(=O)OC[C@]2(C)CCCO2)c(C)n1-c1ccccn1 ZINC000177260930 655918527 /nfs/dbraw/zinc/91/85/27/655918527.db2.gz DFBJYCTVIVZOJM-SFHVURJKSA-N 0 0 314.385 3.215 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N(C)CC[C@@H](C)O ZINC000177452983 655927033 /nfs/dbraw/zinc/92/70/33/655927033.db2.gz XBGZYEWUPULDCP-MRXNPFEDSA-N 0 0 314.429 3.245 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccc(OC(F)F)cc2)c(O)c1O ZINC000177660217 655937941 /nfs/dbraw/zinc/93/79/41/655937941.db2.gz XOBQPCUNBXSJTQ-UHFFFAOYSA-N 0 0 309.268 3.260 20 10 DGCDRN CCCOc1ccccc1NC(=O)c1ccc(C)c(O)c1O ZINC000177667739 655938833 /nfs/dbraw/zinc/93/88/33/655938833.db2.gz BZYAOFQPNOQTON-UHFFFAOYSA-N 0 0 301.342 3.447 20 10 DGCDRN CSC[C@@H](C)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715747596 661214134 /nfs/dbraw/zinc/21/41/34/661214134.db2.gz XEVODYDQVJQBBC-SSDOTTSWSA-N 0 0 308.216 3.135 20 10 DGCDRN CC[C@H](CSC)[NH2+]Cc1cccc(Br)c1[O-] ZINC000162160539 655965453 /nfs/dbraw/zinc/96/54/53/655965453.db2.gz NXGMQAKCDFWVRV-SNVBAGLBSA-N 0 0 304.253 3.386 20 10 DGCDRN CO[C@](C)(C[NH2+]Cc1cccc(Br)c1[O-])C1CC1 ZINC000311045858 655970226 /nfs/dbraw/zinc/97/02/26/655970226.db2.gz PUNIBYGBDQCNPP-CQSZACIVSA-N 0 0 314.223 3.059 20 10 DGCDRN CSC[C@H](C)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715747598 661213922 /nfs/dbraw/zinc/21/39/22/661213922.db2.gz XEVODYDQVJQBBC-ZETCQYMHSA-N 0 0 308.216 3.135 20 10 DGCDRN CN(C)C(=O)c1ccc(NCc2cc(Cl)ccc2O)cc1 ZINC000036955109 661210588 /nfs/dbraw/zinc/21/05/88/661210588.db2.gz MOYUBOGTVURFQO-UHFFFAOYSA-N 0 0 304.777 3.360 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)c1cccnc1 ZINC000066697862 655993549 /nfs/dbraw/zinc/99/35/49/655993549.db2.gz YKCLMISXNQCMAN-CQSZACIVSA-N 0 0 313.401 3.470 20 10 DGCDRN COCCCCC[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715746540 661214094 /nfs/dbraw/zinc/21/40/94/661214094.db2.gz RADMBMDHRJXTGY-UHFFFAOYSA-N 0 0 320.202 3.200 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]C1CCSCC1 ZINC000715788849 661214491 /nfs/dbraw/zinc/21/44/91/661214491.db2.gz MOMCXLHLEGEWIQ-UHFFFAOYSA-N 0 0 320.227 3.279 20 10 DGCDRN CNC(=O)c1ccc(C)c(NCc2cc(Cl)ccc2O)c1 ZINC000037086656 661214791 /nfs/dbraw/zinc/21/47/91/661214791.db2.gz SBTRKASFUDHKKD-UHFFFAOYSA-N 0 0 304.777 3.326 20 10 DGCDRN O=C(OCC1CC1)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000257048170 656077816 /nfs/dbraw/zinc/07/78/16/656077816.db2.gz ISABRNYGNYCGNJ-UHFFFAOYSA-N 0 0 306.317 3.029 20 10 DGCDRN CCc1ccc([C@@H]2COCCN2Cc2cccc(C)c2O)o1 ZINC000180289362 656092063 /nfs/dbraw/zinc/09/20/63/656092063.db2.gz YZZHKDLCFIHFMH-INIZCTEOSA-N 0 0 301.386 3.430 20 10 DGCDRN CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CCc2ccccc21 ZINC000180621415 656094208 /nfs/dbraw/zinc/09/42/08/656094208.db2.gz SWQHMXLBPLIHMO-AYAUWGRQSA-N 0 0 309.365 3.257 20 10 DGCDRN CCOc1cc(F)ccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180942894 656095992 /nfs/dbraw/zinc/09/59/92/656095992.db2.gz OWJGUHKGGZLARG-XBXARRHUSA-N 0 0 317.316 3.288 20 10 DGCDRN CC[C@@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181031171 656097096 /nfs/dbraw/zinc/09/70/96/656097096.db2.gz YYYISXAENWROLV-SOGBHIHOSA-N 0 0 311.381 3.249 20 10 DGCDRN Cc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1ccccc1O ZINC000186102421 656130434 /nfs/dbraw/zinc/13/04/34/656130434.db2.gz IQWXSKKNWFWYSZ-UHFFFAOYSA-N 0 0 321.380 3.159 20 10 DGCDRN C[C@H](Nc1ccc2c(c1)N(C)C(=O)CO2)c1ccc(F)cc1O ZINC000186326163 656131076 /nfs/dbraw/zinc/13/10/76/656131076.db2.gz WHUVOQGLLPOQMC-JTQLQIEISA-N 0 0 316.332 3.060 20 10 DGCDRN COc1ccc(O)c([C@@H](C)Nc2cnn(Cc3ccncc3)c2)c1 ZINC000186389464 656131457 /nfs/dbraw/zinc/13/14/57/656131457.db2.gz LESDUXZYFOJZBW-CYBMUJFWSA-N 0 0 324.384 3.214 20 10 DGCDRN CC[C@H]([NH2+][C@H](C)C(=O)N(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806147754 661230267 /nfs/dbraw/zinc/23/02/67/661230267.db2.gz MCVAHGSYARCWAT-PELKAZGASA-N 0 0 319.232 3.216 20 10 DGCDRN Cc1csc2ncnc(N[C@@H](C)Cc3ccc(O)c(O)c3)c12 ZINC000840283938 661231750 /nfs/dbraw/zinc/23/17/50/661231750.db2.gz CNEDBTYBWWFHCT-JTQLQIEISA-N 0 0 315.398 3.454 20 10 DGCDRN Cc1ccncc1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000162668340 656184825 /nfs/dbraw/zinc/18/48/25/656184825.db2.gz LAHOKZPGPKGHCP-UHFFFAOYSA-N 0 0 307.191 3.148 20 10 DGCDRN Cc1nc(NC(=O)NCc2ccc(N(C)C)c(F)c2)sc1C ZINC000194636348 656227786 /nfs/dbraw/zinc/22/77/86/656227786.db2.gz QNLHYMXXOBNKQJ-UHFFFAOYSA-N 0 0 322.409 3.287 20 10 DGCDRN CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000236733136 656305890 /nfs/dbraw/zinc/30/58/90/656305890.db2.gz DZESYULMTVRNEU-UHFFFAOYSA-N 0 0 300.358 3.368 20 10 DGCDRN COc1ccc2c(c1)CCCCN2CCCCCNC(C)=O ZINC000930142082 661263143 /nfs/dbraw/zinc/26/31/43/661263143.db2.gz HOYRSEUIBRGRDA-UHFFFAOYSA-N 0 0 304.434 3.144 20 10 DGCDRN CCOc1ccccc1NC[C@H](O)COc1ccccc1F ZINC000314442696 656463617 /nfs/dbraw/zinc/46/36/17/656463617.db2.gz BZSFNMWBJBZORT-ZDUSSCGKSA-N 0 0 305.349 3.076 20 10 DGCDRN C[C@@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1O ZINC000228792495 656858016 /nfs/dbraw/zinc/85/80/16/656858016.db2.gz MTXOBJCILKRUEW-CYBMUJFWSA-N 0 0 320.433 3.442 20 10 DGCDRN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(N)cc1 ZINC000236831376 656957748 /nfs/dbraw/zinc/95/77/48/656957748.db2.gz XJZILQVTJRHRAO-GOSISDBHSA-N 0 0 321.380 3.172 20 10 DGCDRN CCN(CCO)C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000126408508 657168777 /nfs/dbraw/zinc/16/87/77/657168777.db2.gz LYVLTKNCEKLDRG-UHFFFAOYSA-N 0 0 320.820 3.202 20 10 DGCDRN CCCOc1ccc(OCC(=O)N(C)c2ccc(N)cc2)cc1 ZINC000319784911 657183988 /nfs/dbraw/zinc/18/39/88/657183988.db2.gz HKGFDEMFFJGYMG-UHFFFAOYSA-N 0 0 314.385 3.099 20 10 DGCDRN O=C(CCSc1nccs1)Nc1ccc([N+](=O)[O-])cc1 ZINC000048874151 657309261 /nfs/dbraw/zinc/30/92/61/657309261.db2.gz HNRSKDYLFHWOQM-UHFFFAOYSA-N 0 0 309.372 3.172 20 10 DGCDRN COc1ccc(O)c(CNc2cc(NC(C)=O)ccc2C)c1 ZINC000237206705 657381042 /nfs/dbraw/zinc/38/10/42/657381042.db2.gz YTKCECJDYOMQQS-UHFFFAOYSA-N 0 0 300.358 3.280 20 10 DGCDRN CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1ccc(O)c(O)c1 ZINC000067454535 657392394 /nfs/dbraw/zinc/39/23/94/657392394.db2.gz ORDZWVGHMALPNF-OAHLLOKOSA-N 0 0 318.760 3.338 20 10 DGCDRN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1ccc(N)cc1 ZINC000237264858 657445944 /nfs/dbraw/zinc/44/59/44/657445944.db2.gz ZGUGFXSJBPYPDE-UHFFFAOYSA-N 0 0 322.330 3.489 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1OC ZINC000302816238 657498585 /nfs/dbraw/zinc/49/85/85/657498585.db2.gz VQHXYQGHLKZCGO-UHFFFAOYSA-N 0 0 312.413 3.424 20 10 DGCDRN C[C@H]1CCC[C@@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000302991439 657506056 /nfs/dbraw/zinc/50/60/56/657506056.db2.gz MNQWOFWXAOPCDP-GXTWGEPZSA-N 0 0 307.413 3.270 20 10 DGCDRN COCC(=O)Nc1ccc(N[C@@H]2CCc3cccc(O)c32)cc1 ZINC000324044488 657508862 /nfs/dbraw/zinc/50/88/62/657508862.db2.gz UVAMAIRBKIKIHJ-OAHLLOKOSA-N 0 0 312.369 3.077 20 10 DGCDRN Cc1ccc(C)c(C(=O)Nc2cccc(N3CCOCC3)c2)c1 ZINC000096733723 657554045 /nfs/dbraw/zinc/55/40/45/657554045.db2.gz SZVUMDSYNGVIJT-UHFFFAOYSA-N 0 0 310.397 3.392 20 10 DGCDRN CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1cccc(Br)c1[O-] ZINC000304033565 657589605 /nfs/dbraw/zinc/58/96/05/657589605.db2.gz GYJYEMAGRXSAEJ-QMTHXVAHSA-N 0 0 316.239 3.041 20 10 DGCDRN Cc1cc(C(=O)NC[C@@H](C)O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000097178138 657610870 /nfs/dbraw/zinc/61/08/70/657610870.db2.gz LZESYZKXHXLEEA-CQSZACIVSA-N 0 0 314.429 3.328 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)CC1(O)CCCCC1 ZINC000305132825 657685705 /nfs/dbraw/zinc/68/57/05/657685705.db2.gz RWEJXUGJIDUWIX-UHFFFAOYSA-N 0 0 305.418 3.216 20 10 DGCDRN O=C(Cc1ccc2ccccc2c1)NCCc1ccc(O)c(O)c1 ZINC000098076923 657849065 /nfs/dbraw/zinc/84/90/65/657849065.db2.gz USGFAIFRUYOXKO-UHFFFAOYSA-N 0 0 321.376 3.152 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2CCOC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000179203447 658383142 /nfs/dbraw/zinc/38/31/42/658383142.db2.gz CTMDGVQBCDZNJD-MRXNPFEDSA-N 0 0 312.413 3.230 20 10 DGCDRN O=C(Nc1cccc(N2CCCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000030827800 658733816 /nfs/dbraw/zinc/73/38/16/658733816.db2.gz KJYIPIPLPCGQQB-UHFFFAOYSA-N 0 0 311.341 3.447 20 10 DGCDRN C[C@@H]([NH2+]Cc1cccc(Br)c1[O-])c1ccccn1 ZINC000042411772 658772255 /nfs/dbraw/zinc/77/22/55/658772255.db2.gz YXUPCBXSCYRLKH-SNVBAGLBSA-N 0 0 307.191 3.401 20 10 DGCDRN [O-]c1c(Br)cccc1C[NH2+]CCc1ccccc1 ZINC000042411654 658772380 /nfs/dbraw/zinc/77/23/80/658772380.db2.gz CUKCXWZLJCTVAD-UHFFFAOYSA-N 0 0 306.203 3.487 20 10 DGCDRN COc1ccc(Cl)cc1NC(=O)c1ccc(C)c(O)c1O ZINC000179381940 658775206 /nfs/dbraw/zinc/77/52/06/658775206.db2.gz JGIMYAKYQGVEAU-UHFFFAOYSA-N 0 0 307.733 3.321 20 10 DGCDRN C[C@@H]1CCCC[C@@H]1N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000031730295 658844722 /nfs/dbraw/zinc/84/47/22/658844722.db2.gz DNELWIIQFSTEQI-PBHICJAKSA-N 0 0 303.450 3.473 20 10 DGCDRN C[C@H]1CCC[C@H](N(C)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000031731404 658844958 /nfs/dbraw/zinc/84/49/58/658844958.db2.gz RRSKXKFLGWKHER-YOEHRIQHSA-N 0 0 303.450 3.473 20 10 DGCDRN CCOCCC1(C(=O)NCc2cc(OC)ccc2O)CCCC1 ZINC000155986834 658869560 /nfs/dbraw/zinc/86/95/60/658869560.db2.gz HDIBELSQFDQVIE-UHFFFAOYSA-N 0 0 321.417 3.004 20 10 DGCDRN CCC(C)(C)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000164915254 658957047 /nfs/dbraw/zinc/95/70/47/658957047.db2.gz LTPQFZFRUFGJAQ-AWEZNQCLSA-N 0 0 319.449 3.072 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2cccnc2Cl)cc1F ZINC000058514983 659085154 /nfs/dbraw/zinc/08/51/54/659085154.db2.gz SESPTLMZFHKPDM-UHFFFAOYSA-N 0 0 322.771 3.262 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCc3ccccc32)cc1F ZINC000058601742 659090924 /nfs/dbraw/zinc/09/09/24/659090924.db2.gz OSSOTFKMZOKEGB-UHFFFAOYSA-N 0 0 313.376 3.164 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc3cc[nH]c3c2)cc1F ZINC000058731680 659102008 /nfs/dbraw/zinc/10/20/08/659102008.db2.gz XJWBHXGMGZBUSR-UHFFFAOYSA-N 0 0 311.360 3.303 20 10 DGCDRN Cc1cc(C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccc(F)cc1 ZINC000046467445 659123208 /nfs/dbraw/zinc/12/32/08/659123208.db2.gz CDAJXOLEHSQAEU-INIZCTEOSA-N 0 0 316.376 3.142 20 10 DGCDRN COCCCCCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000059011754 659125016 /nfs/dbraw/zinc/12/50/16/659125016.db2.gz MBTYNHWNRZRZLL-UHFFFAOYSA-N 0 0 315.417 3.036 20 10 DGCDRN CNC(=O)c1cccc(NCc2cccc(Cl)c2O)c1C ZINC000158037611 659135649 /nfs/dbraw/zinc/13/56/49/659135649.db2.gz ZPIRMEOPGCUVNZ-UHFFFAOYSA-N 0 0 304.777 3.326 20 10 DGCDRN C[C@H](NCc1ccc(N2CCCCC2)cc1)C(=O)OC(C)(C)C ZINC000158049077 659135938 /nfs/dbraw/zinc/13/59/38/659135938.db2.gz BQEHCUCIJRWYNH-HNNXBMFYSA-N 0 0 318.461 3.497 20 10 DGCDRN CC(C)(C)[C@@H](Cn1ccnc1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000158118088 659145202 /nfs/dbraw/zinc/14/52/02/659145202.db2.gz PWAAGNGBALZIFC-CQSZACIVSA-N 0 0 307.825 3.447 20 10 DGCDRN C[C@@H](Nc1ccc2c(c1)NC(=O)[C@H](C)O2)c1ccc(F)cc1O ZINC000170789148 659237065 /nfs/dbraw/zinc/23/70/65/659237065.db2.gz NIGUAWNZCTWVJJ-ZJUUUORDSA-N 0 0 316.332 3.424 20 10 DGCDRN Cc1cc(C(=O)OC[C@@H]2CCCCO2)c(C)n1-c1ccccn1 ZINC000171374784 659276979 /nfs/dbraw/zinc/27/69/79/659276979.db2.gz WUGHMRHQHQQFOR-HNNXBMFYSA-N 0 0 314.385 3.215 20 10 DGCDRN CCC(CC)CS(=O)(=O)NCc1ccc(N2CCCC2)cc1 ZINC000172088777 659316314 /nfs/dbraw/zinc/31/63/14/659316314.db2.gz WYLMNNGHNFLQND-UHFFFAOYSA-N 0 0 324.490 3.142 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3cccs3)C2)cc1 ZINC000062574855 659337133 /nfs/dbraw/zinc/33/71/33/659337133.db2.gz NWYWSINFPIHMQL-ZDUSSCGKSA-N 0 0 316.426 3.013 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Cc2cc(F)ccc2F)cc1F ZINC000172914495 659363748 /nfs/dbraw/zinc/36/37/48/659363748.db2.gz FPIUOSDPWINXOK-UHFFFAOYSA-N 0 0 322.330 3.029 20 10 DGCDRN Cc1cc(C(=O)NCc2ccc[nH]2)c(C)n1-c1ccc(F)cc1 ZINC000174317009 659426310 /nfs/dbraw/zinc/42/63/10/659426310.db2.gz IQSADUQSWNQHBK-UHFFFAOYSA-N 0 0 311.360 3.491 20 10 DGCDRN COc1cccc(CNC(=O)NC[C@H]2CCCC[C@@H]2C)c1O ZINC000174339591 659428313 /nfs/dbraw/zinc/42/83/13/659428313.db2.gz ZLNOZVLTFNCGSP-QWHCGFSZSA-N 0 0 306.406 3.026 20 10 DGCDRN CCC[N@H+](CC(=O)N1[C@@H](C)CCC[C@@H]1C)Cc1ccccc1O ZINC000174372397 659429284 /nfs/dbraw/zinc/42/92/84/659429284.db2.gz SEXOQRJURNCEKB-HOTGVXAUSA-N 0 0 318.461 3.394 20 10 DGCDRN CCC[N@H+](CC(=O)N(C)C1CCCCC1)Cc1ccccc1O ZINC000174375347 659429768 /nfs/dbraw/zinc/42/97/68/659429768.db2.gz FIVSMVVHTQLDHQ-UHFFFAOYSA-N 0 0 318.461 3.395 20 10 DGCDRN COc1ccccc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000174517173 659437705 /nfs/dbraw/zinc/43/77/05/659437705.db2.gz RMBBGKDEUJAVET-UHFFFAOYSA-N 0 0 311.381 3.210 20 10 DGCDRN CCOC(=O)CN(CC)Cc1ccc(N2CCCCC2)cc1 ZINC000092399441 659542407 /nfs/dbraw/zinc/54/24/07/659542407.db2.gz WZKQNPRCQSPFTH-UHFFFAOYSA-N 0 0 304.434 3.062 20 10 DGCDRN COc1ccc(N(C)Cc2cn3cccc(C)c3n2)cc1OC ZINC000064517344 659918656 /nfs/dbraw/zinc/91/86/56/659918656.db2.gz FAUVNEBLYJKKBG-UHFFFAOYSA-N 0 0 311.385 3.296 20 10 DGCDRN C/C(=C/C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C1CC1 ZINC000068513534 659955527 /nfs/dbraw/zinc/95/55/27/659955527.db2.gz JBLAZTJAUYJEPY-SEWDUPMJSA-N 0 0 314.429 3.057 20 10 DGCDRN Nc1ccc(CC(=O)NCc2ccccc2OC(F)(F)F)cc1 ZINC000238116563 659958614 /nfs/dbraw/zinc/95/86/14/659958614.db2.gz KWRRISKRXYUNMJ-UHFFFAOYSA-N 0 0 324.302 3.026 20 10 DGCDRN Nc1ccc(CCNC(=O)CCc2cc(Cl)cs2)cc1 ZINC000238124468 659959153 /nfs/dbraw/zinc/95/91/53/659959153.db2.gz KCCSABRNWGFPBV-UHFFFAOYSA-N 0 0 308.834 3.275 20 10 DGCDRN C[C@H](CCc1ccccc1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180586645 659965558 /nfs/dbraw/zinc/96/55/58/659965558.db2.gz MIZUXGAPHCZFJQ-IEZBTEQYSA-N 0 0 311.381 3.249 20 10 DGCDRN C[C@@H](c1ccc(F)cc1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180612225 659966316 /nfs/dbraw/zinc/96/63/16/659966316.db2.gz LZMUWIGFKXUZPG-YCGNWBHESA-N 0 0 315.344 3.470 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc2ncccc2c1 ZINC000180662696 659966535 /nfs/dbraw/zinc/96/65/35/659966535.db2.gz RLJVQUHPRILFOW-XBXARRHUSA-N 0 0 306.321 3.298 20 10 DGCDRN COc1cc(O)c(CN2CC3(CC3)c3ccccc32)cc1OC ZINC000180754216 659970470 /nfs/dbraw/zinc/97/04/70/659970470.db2.gz CYZQUXPWNWLEJM-UHFFFAOYSA-N 0 0 311.381 3.461 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(OC(F)F)c1 ZINC000180935357 659975700 /nfs/dbraw/zinc/97/57/00/659975700.db2.gz GKUILNYXCKSATO-FNORWQNLSA-N 0 0 321.279 3.351 20 10 DGCDRN Cc1cccc(C)c1CCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181218385 659987234 /nfs/dbraw/zinc/98/72/34/659987234.db2.gz XNAZMQLMKBXLDU-VQHVLOKHSA-N 0 0 311.381 3.087 20 10 DGCDRN C[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])[C@H]1C[NH3+] ZINC000252101688 660010465 /nfs/dbraw/zinc/01/04/65/660010465.db2.gz GJHIXPPGJTXDGU-RNCFNFMXSA-N 0 0 303.233 3.258 20 10 DGCDRN CO[C@@H](C)CNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000189105382 660044072 /nfs/dbraw/zinc/04/40/72/660044072.db2.gz LUNDSFOPOFWOSH-AWEZNQCLSA-N 0 0 300.402 3.167 20 10 DGCDRN COc1ccc(N(C)C[C@@H](O)CCc2ccccc2)c(OC)c1 ZINC000182560692 660062231 /nfs/dbraw/zinc/06/22/31/660062231.db2.gz NZGIHVABMNZXLE-INIZCTEOSA-N 0 0 315.413 3.134 20 10 DGCDRN CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)c1ccc(C)c(O)c1O ZINC000182825009 660082662 /nfs/dbraw/zinc/08/26/62/660082662.db2.gz LBYYUVCEAFQYKR-UONOGXRCSA-N 0 0 321.417 3.072 20 10 DGCDRN COc1cc(C)sc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000070810717 660087954 /nfs/dbraw/zinc/08/79/54/660087954.db2.gz VMXQSUKFVLNVFC-UHFFFAOYSA-N 0 0 322.405 3.200 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C(C)(C)CCOC)cc1F ZINC000183574910 660124886 /nfs/dbraw/zinc/12/48/86/660124886.db2.gz OSJHTMSMKIZQMC-UHFFFAOYSA-N 0 0 324.440 3.351 20 10 DGCDRN Cc1ccc(N[C@@H](C)Cc2ccc(O)c(O)c2)c([N+](=O)[O-])c1 ZINC000184147141 660156538 /nfs/dbraw/zinc/15/65/38/660156538.db2.gz XMZLGFQCPDLVAJ-NSHDSACASA-N 0 0 302.330 3.358 20 10 DGCDRN COc1ccc(N2CCN(C(=O)C[C@H]3CCC[C@@H]3C)CC2)cc1 ZINC000184605844 660176035 /nfs/dbraw/zinc/17/60/35/660176035.db2.gz QUHPGFFGGXOAPN-JKSUJKDBSA-N 0 0 316.445 3.170 20 10 DGCDRN C[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(O)c1 ZINC000929527163 661314988 /nfs/dbraw/zinc/31/49/88/661314988.db2.gz FRJSLGJOWLHENK-AWEZNQCLSA-N 0 0 312.413 3.220 20 10 DGCDRN COc1ccc(N(C)Cc2nc(C(C)C)ns2)c(OC)c1 ZINC000930077233 661363934 /nfs/dbraw/zinc/36/39/34/661363934.db2.gz PAAWXBCKAORRRM-UHFFFAOYSA-N 0 0 307.419 3.315 20 10 DGCDRN COc1ccc(N(Cc2cnn(CCF)c2)CC2CC2)cc1 ZINC000930637216 661417491 /nfs/dbraw/zinc/41/74/91/661417491.db2.gz AUMXSSBEWYXZGJ-UHFFFAOYSA-N 0 0 303.381 3.278 20 10 DGCDRN CC[C@@H](C)n1nc(NC(=O)N2Cc3cccc(O)c3C2)cc1C ZINC000930719042 661424342 /nfs/dbraw/zinc/42/43/42/661424342.db2.gz YFJZOWJRSZMSOZ-LLVKDONJSA-N 0 0 314.389 3.416 20 10 DGCDRN C[C@H](C1CC1)n1nccc1NC(=O)N1Cc2cccc(O)c2C1 ZINC000930921705 661439335 /nfs/dbraw/zinc/43/93/35/661439335.db2.gz JIZHDNRUWXFSCG-LLVKDONJSA-N 0 0 312.373 3.107 20 10 DGCDRN CC[C@H](C)[C@H](NC(=O)N1Cc2cccc(O)c2C1)C(F)(F)F ZINC000931097773 661452107 /nfs/dbraw/zinc/45/21/07/661452107.db2.gz ZQARJNGGUYHXRG-ZANVPECISA-N 0 0 316.323 3.394 20 10 DGCDRN C[C@H](NC(=O)Nc1noc2c1CCCC2)c1ccccc1O ZINC000934347921 661700165 /nfs/dbraw/zinc/70/01/65/661700165.db2.gz ABSAUHILQMDSTN-JTQLQIEISA-N 0 0 301.346 3.142 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000934706122 661728160 /nfs/dbraw/zinc/72/81/60/661728160.db2.gz DNSHQHHOPTXHBO-INIZCTEOSA-N 0 0 304.434 3.004 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCO[C@H](C(C)C)C2)c1 ZINC000934940660 661750254 /nfs/dbraw/zinc/75/02/54/661750254.db2.gz SVGHHLGYPGCLOM-DCGLDWPTSA-N 0 0 321.417 3.029 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)c2cccc(O)c2)c1 ZINC000934941017 661750504 /nfs/dbraw/zinc/75/05/04/661750504.db2.gz VDGQBASLCOBBCW-NEPJUHHUSA-N 0 0 315.369 3.087 20 10 DGCDRN COc1cccc(CNC(=O)c2ccccc2C2(C)CC2)c1O ZINC000934941001 661750529 /nfs/dbraw/zinc/75/05/29/661750529.db2.gz UPZKJYYDKBFFLR-UHFFFAOYSA-N 0 0 311.381 3.382 20 10 DGCDRN CCN1C(=O)/C(=C/c2ccc3c(c2)C[C@@H](C)O3)SC1=S ZINC000040018626 661831478 /nfs/dbraw/zinc/83/14/78/661831478.db2.gz QJLGYRPFJIHXOR-PGEKAQRJSA-N 0 0 305.424 3.231 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[C@H]1CCCO1 ZINC000046784464 661870316 /nfs/dbraw/zinc/87/03/16/661870316.db2.gz LXGSDIAXJYMHPQ-GOSISDBHSA-N 0 0 316.445 3.204 20 10 DGCDRN CN(Cc1ccncc1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000046983741 661870715 /nfs/dbraw/zinc/87/07/15/661870715.db2.gz CMJYUGRVLOMBTG-UHFFFAOYSA-N 0 0 324.428 3.023 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCCc1ccc(Cl)s1 ZINC000047143776 661872324 /nfs/dbraw/zinc/87/23/24/661872324.db2.gz QGLSAGVJFIYWDP-UHFFFAOYSA-N 0 0 324.833 3.491 20 10 DGCDRN O=C(CSc1nccs1)Nc1ccc(OC(F)F)cc1 ZINC000047241880 661873655 /nfs/dbraw/zinc/87/36/55/661873655.db2.gz KYZULUXBBDTYPT-UHFFFAOYSA-N 0 0 316.354 3.475 20 10 DGCDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nccs1 ZINC000047248233 661873954 /nfs/dbraw/zinc/87/39/54/661873954.db2.gz XXLLPSSHAWEPAU-UHFFFAOYSA-N 0 0 309.372 3.091 20 10 DGCDRN O=C(CCCc1c[nH]c2ccccc12)NCc1ccc(O)c(O)c1 ZINC000158965549 661880953 /nfs/dbraw/zinc/88/09/53/661880953.db2.gz ZXVYLAHOAAUHNS-UHFFFAOYSA-N 0 0 324.380 3.218 20 10 DGCDRN O=C(Cc1cccc2ccccc21)NCc1ccc(O)c(O)c1 ZINC000159009431 661881414 /nfs/dbraw/zinc/88/14/14/661881414.db2.gz SGFFFQXTUBOIHU-UHFFFAOYSA-N 0 0 307.349 3.110 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)C1(c2ccc(Cl)cc2)CC1 ZINC000159075176 661882167 /nfs/dbraw/zinc/88/21/67/661882167.db2.gz CZONBAQCZNYCAU-UHFFFAOYSA-N 0 0 317.772 3.099 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000159107312 661882656 /nfs/dbraw/zinc/88/26/56/661882656.db2.gz CRDXUNVPFQECFE-ZIAGYGMSSA-N 0 0 317.772 3.171 20 10 DGCDRN C[C@@H](CC(=O)NCc1ccc(O)c(O)c1)c1cccc(F)c1 ZINC000159143297 661883003 /nfs/dbraw/zinc/88/30/03/661883003.db2.gz PVRARITVWCEPKC-NSHDSACASA-N 0 0 303.333 3.047 20 10 DGCDRN C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1cccnc1 ZINC000048068125 661885284 /nfs/dbraw/zinc/88/52/84/661885284.db2.gz OHEKXUOUFIXSKJ-OAHLLOKOSA-N 0 0 324.428 3.242 20 10 DGCDRN Cc1ncc(-c2ccc(NC(=O)c3cccc(O)c3O)cc2)o1 ZINC000189022418 661959306 /nfs/dbraw/zinc/95/93/06/661959306.db2.gz RJOOYJJDKTZIAS-UHFFFAOYSA-N 0 0 310.309 3.314 20 10 DGCDRN C[C@H](C1CC1)n1cc(NC(=O)N(C)Cc2ccccc2O)cn1 ZINC000189812177 661992350 /nfs/dbraw/zinc/99/23/50/661992350.db2.gz NEQBRECZANJMKO-GFCCVEGCSA-N 0 0 314.389 3.224 20 10 DGCDRN Cn1ccnc1CN1CCCc2cc(OC(F)(F)F)ccc21 ZINC000076745477 661995875 /nfs/dbraw/zinc/99/58/75/661995875.db2.gz DTADHKQYJXPKSW-UHFFFAOYSA-N 0 0 311.307 3.272 20 10 DGCDRN Cc1cc(C(=O)N2CCCCO2)c(C)n1-c1ccc(C#N)cc1 ZINC000190040258 662003214 /nfs/dbraw/zinc/00/32/14/662003214.db2.gz IANKZYPAHAILPW-UHFFFAOYSA-N 0 0 309.369 3.133 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cccnc1SC(F)F ZINC000077258307 662018436 /nfs/dbraw/zinc/01/84/36/662018436.db2.gz UCUDTRZKUAOFJP-UHFFFAOYSA-N 0 0 324.352 3.374 20 10 DGCDRN CSC1(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1 ZINC000190329145 662028498 /nfs/dbraw/zinc/02/84/98/662028498.db2.gz FRDNFMMNDVTIHC-UHFFFAOYSA-N 0 0 318.486 3.435 20 10 DGCDRN Cc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1F ZINC000190918195 662049365 /nfs/dbraw/zinc/04/93/65/662049365.db2.gz BDUNRUOAQILURJ-LLVKDONJSA-N 0 0 318.348 3.298 20 10 DGCDRN CC(C)Oc1ccc(N(C)Cc2nnnn2-c2ccccc2)cc1 ZINC000191579048 662073174 /nfs/dbraw/zinc/07/31/74/662073174.db2.gz ITNWKUXWUYZHCZ-UHFFFAOYSA-N 0 0 323.400 3.086 20 10 DGCDRN C[C@H](C[NH2+]Cc1cccc(Cl)c1[O-])NC(=O)OC(C)(C)C ZINC000192691363 662108232 /nfs/dbraw/zinc/10/82/32/662108232.db2.gz IECGZIVAUXNDRP-SNVBAGLBSA-N 0 0 314.813 3.048 20 10 DGCDRN Cc1cc(C(=O)NCCn2cccn2)c(C)n1-c1cccc(C)c1 ZINC000194142735 662158354 /nfs/dbraw/zinc/15/83/54/662158354.db2.gz FVMQQIBPUYIADN-UHFFFAOYSA-N 0 0 322.412 3.029 20 10 DGCDRN C[C@H](C1CC1)N(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000194167359 662159023 /nfs/dbraw/zinc/15/90/23/662159023.db2.gz YOXKGQRHBHHXCJ-CQSZACIVSA-N 0 0 301.434 3.227 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N(C)c2ccc(F)cc2)cc1 ZINC000194326272 662163299 /nfs/dbraw/zinc/16/32/99/662163299.db2.gz RWYAXVWNVBBLKV-UHFFFAOYSA-N 0 0 301.365 3.238 20 10 DGCDRN Cc1cc(C(=O)NCc2cc[nH]n2)c(C)n1-c1ccccc1C ZINC000194463993 662166194 /nfs/dbraw/zinc/16/61/94/662166194.db2.gz VOWFYQGSUPUHMU-UHFFFAOYSA-N 0 0 308.385 3.056 20 10 DGCDRN Cc1cc(C(=O)OCCOC(C)(C)C)c(C)n1-c1ccccn1 ZINC000195682248 662192840 /nfs/dbraw/zinc/19/28/40/662192840.db2.gz HHXQCEUQUNTAFK-UHFFFAOYSA-N 0 0 316.401 3.461 20 10 DGCDRN CCc1onc(C)c1NC(=O)NCc1ccc(N(C)C)cc1C ZINC000089415727 662243174 /nfs/dbraw/zinc/24/31/74/662243174.db2.gz CCKCOBAVPHSGAC-UHFFFAOYSA-N 0 0 316.405 3.242 20 10 DGCDRN CN(Cc1c(F)cccc1Cl)C(=O)Cc1ccc(N)cc1 ZINC000037798900 662254377 /nfs/dbraw/zinc/25/43/77/662254377.db2.gz JONHQXIUGHYPBP-UHFFFAOYSA-N 0 0 306.768 3.262 20 10 DGCDRN C[C@H]1CC[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000247011271 662296649 /nfs/dbraw/zinc/29/66/49/662296649.db2.gz ITTWTCONKJJXSC-JCNLHEQBSA-N 0 0 313.445 3.441 20 10 DGCDRN COCCN(Cc1ncccc1C)c1ccc(OC)c(OC)c1 ZINC000093193956 662346830 /nfs/dbraw/zinc/34/68/30/662346830.db2.gz JDXPGCUBXSUIKE-UHFFFAOYSA-N 0 0 316.401 3.060 20 10 DGCDRN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])CC1(O)CCCC1 ZINC000093503124 662355859 /nfs/dbraw/zinc/35/58/59/662355859.db2.gz JLSDYEZQBOSGJI-UHFFFAOYSA-N 0 0 304.217 3.436 20 10 DGCDRN Cc1ncc(/C=C/C(=O)N2C[C@@H](C)Oc3cc(F)ccc32)s1 ZINC000173514822 685104393 /nfs/dbraw/zinc/10/43/93/685104393.db2.gz TZLSYPDHNCXAKY-DFVUYQKZSA-N 0 0 318.373 3.418 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)/C=C\c1cncc(F)c1 ZINC000255618381 685121622 /nfs/dbraw/zinc/12/16/22/685121622.db2.gz ONZPXGSICNYTDT-FPLPWBNLSA-N 0 0 314.360 3.378 20 10 DGCDRN CC[N@@H+](Cc1cccc(Br)c1[O-])C[C@@H](C)OC ZINC000383212538 685166702 /nfs/dbraw/zinc/16/67/02/685166702.db2.gz KDPIQTVKCZZQMK-SNVBAGLBSA-N 0 0 302.212 3.012 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CC(C)(C)[C@@H]3COC[C@@H]32)c1O ZINC000385018924 685172636 /nfs/dbraw/zinc/17/26/36/685172636.db2.gz UWBBFLJZHXRONP-CABCVRRESA-N 0 0 323.820 3.105 20 10 DGCDRN CCNC(=O)c1cccc(N[C@@H](C)c2cc(F)ccc2O)c1 ZINC000388242271 685188043 /nfs/dbraw/zinc/18/80/43/685188043.db2.gz ZWOVJYXNVHLVFH-NSHDSACASA-N 0 0 302.349 3.454 20 10 DGCDRN CCOc1ccccc1NC[C@H](O)COCc1ccccc1 ZINC000390816647 685206546 /nfs/dbraw/zinc/20/65/46/685206546.db2.gz MGVNGEKVHNRVKF-INIZCTEOSA-N 0 0 301.386 3.075 20 10 DGCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2[O-])CS1 ZINC000397957500 685233785 /nfs/dbraw/zinc/23/37/85/685233785.db2.gz ZVAHSWBVYLVEAB-PSASIEDQSA-N 0 0 302.237 3.138 20 10 DGCDRN COc1cc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])sn1 ZINC000399102352 685239609 /nfs/dbraw/zinc/23/96/09/685239609.db2.gz HZHWFXBITIIWIF-UHFFFAOYSA-N 0 0 319.213 3.454 20 10 DGCDRN CSc1nc2ncnc(NCCc3ccc(N)cc3)c2s1 ZINC001579395511 1191975665 /nfs/dbraw/zinc/97/56/65/1191975665.db2.gz TWPRTHSZFVBCNE-UHFFFAOYSA-N 0 0 317.443 3.045 20 10 DGCDRN Cc1cc(C)c(S(=O)(=O)Oc2ccc(N)cc2)c(C)c1F ZINC001579577655 1191980409 /nfs/dbraw/zinc/98/04/09/1191980409.db2.gz WGWPVJLWPKDORX-UHFFFAOYSA-N 0 0 309.362 3.101 20 10 DGCDRN Nc1ccc(OC(=O)c2c(C(F)F)nc3ccccn32)cc1 ZINC001580449552 1192027831 /nfs/dbraw/zinc/02/78/31/1192027831.db2.gz NUVCIVWCDTUHRS-UHFFFAOYSA-N 0 0 303.268 3.073 20 10 DGCDRN Nc1ccccc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001580460462 1192028778 /nfs/dbraw/zinc/02/87/78/1192028778.db2.gz UODUGABDKAEILV-UHFFFAOYSA-N 0 0 309.413 3.189 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC001620706595 1192071114 /nfs/dbraw/zinc/07/11/14/1192071114.db2.gz PTCMWEYMDSNMHU-UHFFFAOYSA-N 0 0 323.751 3.246 20 10 DGCDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(Cl)ccc1O ZINC001583816394 1192161656 /nfs/dbraw/zinc/16/16/56/1192161656.db2.gz ICKXBDNPTNNFND-UHFFFAOYSA-N 0 0 320.732 3.192 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)Nc2cc[nH]n2)ccc1C ZINC001584084108 1192177156 /nfs/dbraw/zinc/17/71/56/1192177156.db2.gz DJBWCYMBAAZMPA-UHFFFAOYSA-N 0 0 322.368 3.190 20 10 DGCDRN Cc1cc(C(=O)Nc2nc(C)c(C)o2)c(C)n1-c1ccccn1 ZINC001584988069 1192234551 /nfs/dbraw/zinc/23/45/51/1192234551.db2.gz DQFDONNOKFEHJK-UHFFFAOYSA-N 0 0 310.357 3.346 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)C[C@@H]2CCC[C@@H]2C)cc1 ZINC001585450345 1192262015 /nfs/dbraw/zinc/26/20/15/1192262015.db2.gz UEXIPNKCMYLVAH-HOTGVXAUSA-N 0 0 318.461 3.416 20 10 DGCDRN O=C(Nc1cccc(CO)c1)c1cc2cc(O)c(O)cc2s1 ZINC001586918634 1192358072 /nfs/dbraw/zinc/35/80/72/1192358072.db2.gz JGDVMOCQHNLVCC-UHFFFAOYSA-N 0 0 315.350 3.057 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cc(C=O)sc2Cl)cc1 ZINC001587316943 1192392359 /nfs/dbraw/zinc/39/23/59/1192392359.db2.gz PGUXUPLBYCHHSD-UHFFFAOYSA-N 0 0 322.817 3.210 20 10 DGCDRN C[C@@H](NC(=O)c1cc(F)c(F)c(F)c1F)c1ccccc1O ZINC001587444519 1192399800 /nfs/dbraw/zinc/39/98/00/1192399800.db2.gz IECCEFKQAQVYOZ-SSDOTTSWSA-N 0 0 313.250 3.440 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(-c2cc[nH]n2)s1)c1ccccc1O ZINC001587447386 1192400923 /nfs/dbraw/zinc/40/09/23/1192400923.db2.gz QYOCAVOUASILJN-SNVBAGLBSA-N 0 0 313.382 3.335 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](CF)c1ccc(F)cc1 ZINC001587751762 1192416671 /nfs/dbraw/zinc/41/66/71/1192416671.db2.gz FWVJOUCZEWTDFJ-UCEWNTHNSA-N 0 0 319.307 3.077 20 10 DGCDRN NC(=O)CCc1ccc(NCc2ccc(N3CCCC3)cc2)cc1 ZINC001620838803 1192424039 /nfs/dbraw/zinc/42/40/39/1192424039.db2.gz IPQHOPOUTQCYLD-UHFFFAOYSA-N 0 0 323.440 3.317 20 10 DGCDRN Cc1nc(-c2cccc(NCc3cc(F)cc(F)c3O)c2)n[nH]1 ZINC001620847630 1192451386 /nfs/dbraw/zinc/45/13/86/1192451386.db2.gz GHULXEQMUXNWJY-UHFFFAOYSA-N 0 0 316.311 3.376 20 10 DGCDRN Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001592259268 1192605740 /nfs/dbraw/zinc/60/57/40/1192605740.db2.gz KPOBGAYPDFFRNW-OLZOCXBDSA-N 0 0 323.400 3.293 20 10 DGCDRN CSc1ccc(CCC(=O)NCc2cccc(O)c2O)cc1 ZINC001593745051 1192640248 /nfs/dbraw/zinc/64/02/48/1192640248.db2.gz WSTFGQYTTMRBAP-UHFFFAOYSA-N 0 0 317.410 3.069 20 10 DGCDRN CC(C)CCC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001595502275 1192661291 /nfs/dbraw/zinc/66/12/91/1192661291.db2.gz DGHMITHEKUSVKX-UHFFFAOYSA-N 0 0 305.418 3.315 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C)c(F)c2F)c1 ZINC001595806521 1192671651 /nfs/dbraw/zinc/67/16/51/1192671651.db2.gz NQAQIOPCXUZOLW-JTQLQIEISA-N 0 0 321.323 3.478 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cc2c(ccnc2Cl)o1 ZINC001596917075 1192710887 /nfs/dbraw/zinc/71/08/87/1192710887.db2.gz UXVUOOSVGDBOEK-UHFFFAOYSA-N 0 0 320.707 3.256 20 10 DGCDRN Cc1nnc(N(C)Cc2ccccc2O)n1CC1(C2CC2)CC1 ZINC001707861813 1176013876 /nfs/dbraw/zinc/01/38/76/1176013876.db2.gz WJZSGQAOEDWOEH-UHFFFAOYSA-N 0 0 312.417 3.119 20 10 DGCDRN C[C@H](CC(=O)NCc1c(O)cccc1O)c1ccc(F)cc1 ZINC001597568240 1192738040 /nfs/dbraw/zinc/73/80/40/1192738040.db2.gz CNVNSHVOLUTUEP-LLVKDONJSA-N 0 0 303.333 3.047 20 10 DGCDRN O=C(c1cccc(O)c1O)N(C1CC1)[C@H]1CCc2ccccc21 ZINC001597795018 1192747830 /nfs/dbraw/zinc/74/78/30/1192747830.db2.gz AGQFFGHCIBFHMX-INIZCTEOSA-N 0 0 309.365 3.390 20 10 DGCDRN CC(C)(C)Cc1csc(NC(=O)Cc2ccc(O)c(O)c2)n1 ZINC001597823562 1192749436 /nfs/dbraw/zinc/74/94/36/1192749436.db2.gz IVHBPCJANQGSPB-UHFFFAOYSA-N 0 0 320.414 3.324 20 10 DGCDRN COc1ccc(C(=O)NCc2c(O)ccc3ccccc32)cc1 ZINC001597736364 1192744537 /nfs/dbraw/zinc/74/45/37/1192744537.db2.gz FDWJDUSOVMVNDU-UHFFFAOYSA-N 0 0 307.349 3.484 20 10 DGCDRN COC(=O)c1cnc(Sc2ccc([N+](=O)[O-])c(C)c2)s1 ZINC001639960138 1194788922 /nfs/dbraw/zinc/78/89/22/1194788922.db2.gz OBLUWWQPWNCVDJ-UHFFFAOYSA-N 0 0 310.356 3.298 20 10 DGCDRN C[C@@H]1C[C@H]1CNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001671076382 1177768470 /nfs/dbraw/zinc/76/84/70/1177768470.db2.gz SIAUHGQRHZMIBY-OLZOCXBDSA-N 0 0 321.384 3.174 20 10 DGCDRN Cc1ccn(C[C@@H](C)C(=O)NCc2c(O)ccc3ccccc32)n1 ZINC001157049641 1178039703 /nfs/dbraw/zinc/03/97/03/1178039703.db2.gz BLNFVDDXFYHXBB-CYBMUJFWSA-N 0 0 323.396 3.003 20 10 DGCDRN O=C(NCc1ccc2c(c1)CCC2)N1Cc2cccc(O)c2C1 ZINC001331163624 1178147631 /nfs/dbraw/zinc/14/76/31/1178147631.db2.gz VHZOOYPOTHAGRT-UHFFFAOYSA-N 0 0 308.381 3.106 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC(C)(C)C(F)(F)F)c1 ZINC001331752811 1178278822 /nfs/dbraw/zinc/27/88/22/1178278822.db2.gz IRLHNMZPYGRZIS-MRVPVSSYSA-N 0 0 320.311 3.102 20 10 DGCDRN CCc1cccc(CN[C@@](C)(C(=O)OC)c2ccccc2)c1O ZINC001333368708 1178595618 /nfs/dbraw/zinc/59/56/18/1178595618.db2.gz LNRWURZAMIAAIL-LJQANCHMSA-N 0 0 313.397 3.133 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC1CCC(=O)CC1 ZINC001333460347 1178608543 /nfs/dbraw/zinc/60/85/43/1178608543.db2.gz CFXNZJCLESGJJI-UHFFFAOYSA-N 0 0 316.426 3.397 20 10 DGCDRN CC(C)n1cc(NC(=O)NCc2cccc(Cl)c2O)cn1 ZINC001333472379 1178610397 /nfs/dbraw/zinc/61/03/97/1178610397.db2.gz SYJCIHMADFPAFF-UHFFFAOYSA-N 0 0 308.769 3.145 20 10 DGCDRN COc1cc(C)cc(CNc2cnn(CC(C)C)c2C)c1O ZINC001333706346 1178656477 /nfs/dbraw/zinc/65/64/77/1178656477.db2.gz YXMQNQVHSGLNEK-UHFFFAOYSA-N 0 0 303.406 3.482 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)N(OC)C(C)C)ccc21 ZINC001334303431 1178746676 /nfs/dbraw/zinc/74/66/76/1178746676.db2.gz DASGQWVWRXUWJS-UHFFFAOYSA-N 0 0 318.417 3.317 20 10 DGCDRN Cc1sc([C@H]2CCC[N@@H+]2Cc2ccccc2O)nc1C(=O)[O-] ZINC001600882402 1192908188 /nfs/dbraw/zinc/90/81/88/1192908188.db2.gz DKQPQWHOZUNBJB-GFCCVEGCSA-N 0 0 318.398 3.192 20 10 DGCDRN C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)NCc1ccc(N)cc1 ZINC001335736681 1178946932 /nfs/dbraw/zinc/94/69/32/1178946932.db2.gz FSHGTIHRQCTKSH-RHSMWYFYSA-N 0 0 309.413 3.356 20 10 DGCDRN C=CC(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(OC)cc1 ZINC001335866811 1178965892 /nfs/dbraw/zinc/96/58/92/1178965892.db2.gz LFJPOZYOFFWOOU-UHFFFAOYSA-N 0 0 310.397 3.480 20 10 DGCDRN C[C@H](NC(=O)NCCCc1ccsc1)c1ccccc1O ZINC001342419093 1179139333 /nfs/dbraw/zinc/13/93/33/1179139333.db2.gz YQOINUPPLJIGES-LBPRGKRZSA-N 0 0 304.415 3.447 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1CCC[C@H](C)CC1 ZINC001342567207 1179154848 /nfs/dbraw/zinc/15/48/48/1179154848.db2.gz DIAXXHXEGGAWLY-NSHDSACASA-N 0 0 306.435 3.359 20 10 DGCDRN C[C@@H](NC(=O)NCC(C)(C)C1=CCOCC1)c1ccccc1O ZINC001343255543 1179248423 /nfs/dbraw/zinc/24/84/23/1179248423.db2.gz NHRXGWGCGXGAKE-CYBMUJFWSA-N 0 0 318.417 3.125 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)C(C)(C)C(C)C)CC2)cc1 ZINC001343318125 1179255018 /nfs/dbraw/zinc/25/50/18/1179255018.db2.gz JATQNBBIERVNBV-UHFFFAOYSA-N 0 0 318.461 3.416 20 10 DGCDRN CO[C@@H]1CC[C@@H]([NH2+]Cc2cc(C)cc(Br)c2[O-])C1 ZINC001343464731 1179280265 /nfs/dbraw/zinc/28/02/65/1179280265.db2.gz QFOALMBNSKIEIM-VXGBXAGGSA-N 0 0 314.223 3.120 20 10 DGCDRN O=C([O-])CC1([NH2+]Cc2ccc(N3CCCC3)cc2)CCCC1 ZINC001601936566 1192952115 /nfs/dbraw/zinc/95/21/15/1192952115.db2.gz BAQMCZUGQRBBID-UHFFFAOYSA-N 0 0 302.418 3.164 20 10 DGCDRN O=C([O-])Cc1ccc(C[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC001602122212 1192958918 /nfs/dbraw/zinc/95/89/18/1192958918.db2.gz NYPJZPFNOSFWKT-UHFFFAOYSA-N 0 0 324.424 3.204 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)CC1CCC1 ZINC001345746130 1179602837 /nfs/dbraw/zinc/60/28/37/1179602837.db2.gz APUHWQDIRJFSHA-OAHLLOKOSA-N 0 0 317.477 3.434 20 10 DGCDRN CN(c1nnc(C2SC=CC2=O)n1CC1CC1)C1CCC1 ZINC001345817641 1179609828 /nfs/dbraw/zinc/60/98/28/1179609828.db2.gz YXJJEBCORLLOQU-UHFFFAOYSA-N 0 0 304.419 3.111 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCC=C(Cl)Cl)c1 ZINC001346572153 1179720777 /nfs/dbraw/zinc/72/07/77/1179720777.db2.gz DYCKJSAGGXMURP-QMMMGPOBSA-N 0 0 319.188 3.080 20 10 DGCDRN CCc1nc(C)c(C(=O)Nc2c3nonc3ccc2Cl)s1 ZINC001346941828 1179763760 /nfs/dbraw/zinc/76/37/60/1179763760.db2.gz ZNABSAGWOMZPSU-UHFFFAOYSA-N 0 0 322.777 3.456 20 10 DGCDRN O=C(NCc1cccc(O)c1O)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001347234918 1179786033 /nfs/dbraw/zinc/78/60/33/1179786033.db2.gz RXEOMUFWMXYMRX-HZPDHXFCSA-N 0 0 311.381 3.298 20 10 DGCDRN CCNc1ncc(C(=O)N[C@@H](C)c2ccccc2O)cc1Cl ZINC001347464175 1179813057 /nfs/dbraw/zinc/81/30/57/1179813057.db2.gz UYPCXZQFGQCWNF-JTQLQIEISA-N 0 0 319.792 3.363 20 10 DGCDRN C[C@@H](NC(=O)c1ccnc(OC2CCC2)c1)c1ccccc1O ZINC001348986249 1179861961 /nfs/dbraw/zinc/86/19/61/1179861961.db2.gz LYEJALFSPPWUKH-GFCCVEGCSA-N 0 0 312.369 3.210 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(OC)c(C)c2)c1 ZINC001349331669 1179895173 /nfs/dbraw/zinc/89/51/73/1179895173.db2.gz UFVVLLRURKWULO-LBPRGKRZSA-N 0 0 315.369 3.209 20 10 DGCDRN Cc1ccc2c(c1)C(=O)N[C@@H](c1ccc(N3CCCC3)cc1)N2 ZINC001349372884 1179899000 /nfs/dbraw/zinc/89/90/00/1179899000.db2.gz ORVQCHYIOQURHT-SFHVURJKSA-N 0 0 307.397 3.449 20 10 DGCDRN CC(C)(C)C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])C(=O)[O-] ZINC001603328022 1193015472 /nfs/dbraw/zinc/01/54/72/1193015472.db2.gz SSAFPCVDLXASQZ-NSHDSACASA-N 0 0 303.761 3.164 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001352321150 1180319702 /nfs/dbraw/zinc/31/97/02/1180319702.db2.gz NSWHWSYHAKSQFU-MNOVXSKESA-N 0 0 306.435 3.214 20 10 DGCDRN CC1(C)C[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)CCO1 ZINC001353515243 1180576926 /nfs/dbraw/zinc/57/69/26/1180576926.db2.gz WBUFCTSAPGAMGO-MRXNPFEDSA-N 0 0 316.445 3.108 20 10 DGCDRN Fc1cc(F)cc(NC(=S)NCc2ncccc2Cl)c1 ZINC001200676366 1180806423 /nfs/dbraw/zinc/80/64/23/1180806423.db2.gz FVEAIPSKCLKKIU-UHFFFAOYSA-N 0 0 313.760 3.500 20 10 DGCDRN C[C@H]([NH2+][C@H](c1ccncc1)C1CC1)c1cc(C(=O)[O-])ccc1O ZINC001604325564 1193064700 /nfs/dbraw/zinc/06/47/00/1193064700.db2.gz OSJGAPULICLYIQ-GTNSWQLSSA-N 0 0 312.369 3.287 20 10 DGCDRN C[C@@H]([NH2+][C@H](c1ccncc1)C1CC1)c1cc(C(=O)[O-])ccc1O ZINC001604325563 1193064795 /nfs/dbraw/zinc/06/47/95/1193064795.db2.gz OSJGAPULICLYIQ-DIFFPNOSSA-N 0 0 312.369 3.287 20 10 DGCDRN COC(=O)[C@H](CC(C)(C)C)NC/C=C/c1ccc(N(C)C)cc1 ZINC001474596531 1181593304 /nfs/dbraw/zinc/59/33/04/1181593304.db2.gz JAFVISYSIFDWGE-OZSKJFCKSA-N 0 0 318.461 3.333 20 10 DGCDRN C/C(=C/c1cccnc1)C(=O)N1C[C@H](C)C(=O)Nc2ccccc21 ZINC001360533736 1181625747 /nfs/dbraw/zinc/62/57/47/1181625747.db2.gz JFCWAOHUTXCKDC-ZVHGMHCTSA-N 0 0 321.380 3.106 20 10 DGCDRN CCN1CCN(C(=O)/C=C/c2cccnc2C)c2ccccc21 ZINC001435045797 1181786140 /nfs/dbraw/zinc/78/61/40/1181786140.db2.gz RJOZEWKRGYWODW-ZHACJKMWSA-N 0 0 307.397 3.276 20 10 DGCDRN Cc1cc(C(F)(F)F)nc(NCc2c(O)cccc2F)n1 ZINC001652252062 1195569612 /nfs/dbraw/zinc/56/96/12/1195569612.db2.gz GIALFSQMERBGQH-UHFFFAOYSA-N 0 0 301.243 3.261 20 10 DGCDRN C[C@H](NC(=O)C[C@H]1Cc2ccccc2O1)c1ccc(N(C)C)cc1 ZINC001435954429 1181857810 /nfs/dbraw/zinc/85/78/10/1181857810.db2.gz XNEMHYQWDOHKBS-KBXCAEBGSA-N 0 0 324.424 3.324 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)/C=C/c1ccco1 ZINC001436857683 1181912877 /nfs/dbraw/zinc/91/28/77/1181912877.db2.gz VCZUBGXGMJCHOF-FEAKQIBJSA-N 0 0 312.413 3.415 20 10 DGCDRN COc1ccc2c(c1)c1c(n2CC(=O)NC2CC=CC2)CCCC1 ZINC001437417357 1181933217 /nfs/dbraw/zinc/93/32/17/1181933217.db2.gz VKFLMMLHQQYRHT-UHFFFAOYSA-N 0 0 324.424 3.364 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@@H](C)O[C@@H]2C)cc1F ZINC001443764454 1182108862 /nfs/dbraw/zinc/10/88/62/1182108862.db2.gz AQYYCGKOCXJIBM-UMVBOHGHSA-N 0 0 322.424 3.102 20 10 DGCDRN O=C(CCCCCO)N(Cc1ccco1)Cc1ccccc1O ZINC001445639379 1182152580 /nfs/dbraw/zinc/15/25/80/1182152580.db2.gz UOOHTGGILOCAND-UHFFFAOYSA-N 0 0 317.385 3.067 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2cccnc2c1 ZINC001447561501 1182192021 /nfs/dbraw/zinc/19/20/21/1182192021.db2.gz JCZSLWWJWOAFSM-LBPRGKRZSA-N 0 0 322.364 3.007 20 10 DGCDRN O=C(Nc1nc2ccc(Cl)nc2s1)c1cccc(O)c1O ZINC001448686018 1182212830 /nfs/dbraw/zinc/21/28/30/1182212830.db2.gz UFNACESKIHUOGD-UHFFFAOYSA-N 0 0 321.745 3.008 20 10 DGCDRN C[C@H](Cc1cccc(Cl)c1)C(=O)NCc1ccc(O)cc1O ZINC001451770128 1182274659 /nfs/dbraw/zinc/27/46/59/1182274659.db2.gz PCMQSEATQJSLHL-LLVKDONJSA-N 0 0 319.788 3.246 20 10 DGCDRN C[C@@H]1Cc2cccc(C(=O)NCc3cc(Cl)ccc3O)c2O1 ZINC001452935887 1182305311 /nfs/dbraw/zinc/30/53/11/1182305311.db2.gz MQHQQZRVRHMVHI-SNVBAGLBSA-N 0 0 317.772 3.299 20 10 DGCDRN Cc1ccc2oc(CNC(=O)Cc3ccc(O)c(O)c3)cc2c1 ZINC001453503630 1182316673 /nfs/dbraw/zinc/31/66/73/1182316673.db2.gz VEOXAIJCDVBEDD-UHFFFAOYSA-N 0 0 311.337 3.011 20 10 DGCDRN CCc1cc(C(=O)NCc2cc(C)ccc2O)cc(Cl)n1 ZINC001453653678 1182321488 /nfs/dbraw/zinc/32/14/88/1182321488.db2.gz WSJJDPYNQMGORD-UHFFFAOYSA-N 0 0 304.777 3.241 20 10 DGCDRN Cc1cc(C(=O)Nc2n[nH]nc2C)c(C)n1-c1cccc(C)c1 ZINC001454190888 1182333630 /nfs/dbraw/zinc/33/36/30/1182333630.db2.gz VCGXVSNNNBJMDU-UHFFFAOYSA-N 0 0 309.373 3.081 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCc2cc(Cl)ccc21 ZINC001454683576 1182350552 /nfs/dbraw/zinc/35/05/52/1182350552.db2.gz MHOZOGKFHDVBHE-CQSZACIVSA-N 0 0 317.772 3.097 20 10 DGCDRN C[C@@H](C(=O)N1Cc2cccc(O)c2C1)c1ccc(F)cc1F ZINC001455037729 1182358518 /nfs/dbraw/zinc/35/85/18/1182358518.db2.gz UGYGWYHNQOOSNU-SNVBAGLBSA-N 0 0 303.308 3.316 20 10 DGCDRN COc1ccc(/C(C)=C/C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC001455036691 1182358725 /nfs/dbraw/zinc/35/87/25/1182358725.db2.gz JCFUDFZIOHAZLI-JLHYYAGUSA-N 0 0 309.365 3.347 20 10 DGCDRN C[C@H](Cc1cccc(Cl)c1)C(=O)NCc1cc(O)ccc1O ZINC001455357947 1182366984 /nfs/dbraw/zinc/36/69/84/1182366984.db2.gz YLDKQUGGBHDAJH-LLVKDONJSA-N 0 0 319.788 3.246 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC001455356167 1182367441 /nfs/dbraw/zinc/36/74/41/1182367441.db2.gz XKQVVJVZCNOCQS-HOTGVXAUSA-N 0 0 315.344 3.047 20 10 DGCDRN Cc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2C)c(O)c1O ZINC001455538490 1182373272 /nfs/dbraw/zinc/37/32/72/1182373272.db2.gz SAEFPQYBWZIYCY-LLVKDONJSA-N 0 0 303.333 3.345 20 10 DGCDRN COc1cc(C)cc(C(=O)NCc2c(O)cccc2F)c1C ZINC001456026644 1182393763 /nfs/dbraw/zinc/39/37/63/1182393763.db2.gz BROQFYNHKGFZDJ-UHFFFAOYSA-N 0 0 303.333 3.087 20 10 DGCDRN C[C@H](Cc1cccc(F)c1)C(=O)NCc1c(O)cccc1F ZINC001456109422 1182398001 /nfs/dbraw/zinc/39/80/01/1182398001.db2.gz YMPLIDZJARHOBH-LLVKDONJSA-N 0 0 305.324 3.165 20 10 DGCDRN O=C(Cc1cccc(O)c1)NCc1c(O)ccc2ccccc21 ZINC001456312063 1182409914 /nfs/dbraw/zinc/40/99/14/1182409914.db2.gz XPWWXGYWQCHSQO-UHFFFAOYSA-N 0 0 307.349 3.110 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)[C@H]1Cc2ccccc2O1 ZINC001456309469 1182410003 /nfs/dbraw/zinc/41/00/03/1182410003.db2.gz IUBFEQOFBDDVJS-LJQANCHMSA-N 0 0 319.360 3.165 20 10 DGCDRN COC(=O)c1cnc(SCc2ccccc2C(=O)OC)s1 ZINC001459105265 1182568099 /nfs/dbraw/zinc/56/80/99/1182568099.db2.gz KPDNOSQLEJQWIN-UHFFFAOYSA-N 0 0 323.395 3.009 20 10 DGCDRN C[C@@H](NC(=O)c1nncc2ccccc21)c1ccc(N(C)C)cc1 ZINC001459180516 1182572593 /nfs/dbraw/zinc/57/25/93/1182572593.db2.gz ZWSDTUDOISQTKN-CYBMUJFWSA-N 0 0 320.396 3.187 20 10 DGCDRN O=C(CSc1ncc(Cl)s1)c1ccc(O)c(O)c1 ZINC001459202530 1182573411 /nfs/dbraw/zinc/57/34/11/1182573411.db2.gz WETDTGYRSDTTSK-UHFFFAOYSA-N 0 0 301.776 3.183 20 10 DGCDRN COC(=O)c1cc(OCCOCC2CCCC2)ccc1N(C)C ZINC001459238707 1182575324 /nfs/dbraw/zinc/57/53/24/1182575324.db2.gz OODUTAJZBVCMJA-UHFFFAOYSA-N 0 0 321.417 3.125 20 10 DGCDRN C[C@@H](Cc1ccco1)C(=O)Nc1c2nonc2ccc1Cl ZINC001459789527 1182616217 /nfs/dbraw/zinc/61/62/17/1182616217.db2.gz RUBWLJQLLPAHSK-QMMMGPOBSA-N 0 0 305.721 3.287 20 10 DGCDRN O=C(Cc1ccc(Cl)cn1)Nc1c2nonc2ccc1Cl ZINC001459787971 1182616350 /nfs/dbraw/zinc/61/63/50/1182616350.db2.gz IJPGZHFFWGJGMW-UHFFFAOYSA-N 0 0 323.139 3.106 20 10 DGCDRN CCc1cccc(C[NH2+][C@@H](CC(=O)[O-])Cc2ccccc2)c1O ZINC001605829087 1193177000 /nfs/dbraw/zinc/17/70/00/1193177000.db2.gz YBIKSHDTUQWKPV-QGZVFWFLSA-N 0 0 313.397 3.130 20 10 DGCDRN Cn1c2ccc(F)cc2nc1NCc1cc(F)cc(F)c1O ZINC001461830762 1182865454 /nfs/dbraw/zinc/86/54/54/1182865454.db2.gz OQXMPKKXDQJBQS-UHFFFAOYSA-N 0 0 307.275 3.308 20 10 DGCDRN COC(=O)c1cccc(NCc2cc(F)c(N(C)C)cc2F)c1 ZINC001461883459 1182870170 /nfs/dbraw/zinc/87/01/70/1182870170.db2.gz VDHZWPNRCGTXGJ-UHFFFAOYSA-N 0 0 320.339 3.430 20 10 DGCDRN CC[N@@H+]1C[C@@H](C)N(Cc2cc(Cl)c(F)cc2[O-])C[C@H]1C ZINC001461936681 1182880546 /nfs/dbraw/zinc/88/05/46/1182880546.db2.gz KDQJLQLMOZYVBQ-GHMZBOCLSA-N 0 0 300.805 3.099 20 10 DGCDRN O=[N+]([O-])c1ccc2c(c1)CN(Cc1cc(F)c(F)cc1O)CC2 ZINC001461977873 1182890063 /nfs/dbraw/zinc/89/00/63/1182890063.db2.gz SXWPQORNCYVJLE-UHFFFAOYSA-N 0 0 320.295 3.137 20 10 DGCDRN C/C=C\C[C@@H](NCc1ccc(N(C)C)cc1C)C(=O)OCC ZINC001462187548 1182920439 /nfs/dbraw/zinc/92/04/39/1182920439.db2.gz DXCISXHMNBIKSQ-BQLWYNFJSA-N 0 0 304.434 3.049 20 10 DGCDRN C/C=C/C[C@@H](NCc1ccc(N(C)C)cc1C)C(=O)OCC ZINC001462187553 1182920880 /nfs/dbraw/zinc/92/08/80/1182920880.db2.gz DXCISXHMNBIKSQ-DBWMJRBXSA-N 0 0 304.434 3.049 20 10 DGCDRN CC[C@@H]1CN(Cc2cc(C(C)C)ccc2O)C[C@H](C)[S@]1=O ZINC001462218848 1182924956 /nfs/dbraw/zinc/92/49/56/1182924956.db2.gz HQWBGUAQKYGPLS-CQURBHOASA-N 0 0 309.475 3.247 20 10 DGCDRN COC(=O)[C@@H](CC(C)(C)C)NCc1ccc2c(c1)CCCO2 ZINC001462372660 1182943345 /nfs/dbraw/zinc/94/33/45/1182943345.db2.gz OLBXDGUMUMJNEM-OAHLLOKOSA-N 0 0 305.418 3.079 20 10 DGCDRN O=[N+]([O-])c1ccc(CN2Cc3cccc(O)c3C2)cc1Cl ZINC001462522094 1182964010 /nfs/dbraw/zinc/96/40/10/1182964010.db2.gz VMIMBVPGCILGGO-UHFFFAOYSA-N 0 0 304.733 3.470 20 10 DGCDRN COCCn1c2ccccc2nc1NCc1cccc(F)c1O ZINC001462656807 1182980954 /nfs/dbraw/zinc/98/09/54/1182980954.db2.gz RRGZLZRVPJJNIT-UHFFFAOYSA-N 0 0 315.348 3.140 20 10 DGCDRN Cc1cc(CC(=O)Nc2cnn(C)c2)c(C)n1-c1ccccc1 ZINC001463890630 1183054668 /nfs/dbraw/zinc/05/46/68/1183054668.db2.gz VCDIABNMEIKYDH-UHFFFAOYSA-N 0 0 308.385 3.009 20 10 DGCDRN Cc1ccc(/C=C\C(=O)NCc2ccc(N3CCCC3)cc2)cn1 ZINC001464076314 1183069755 /nfs/dbraw/zinc/06/97/55/1183069755.db2.gz GBIANVCIBIOSEH-FLIBITNWSA-N 0 0 321.424 3.320 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(F)c(C)c1N ZINC001465031599 1183126604 /nfs/dbraw/zinc/12/66/04/1183126604.db2.gz PVDHJHAIZKKFBF-UHFFFAOYSA-N 0 0 315.392 3.021 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc(O)c(O)c2)c2ccccc12 ZINC001465953661 1183178971 /nfs/dbraw/zinc/17/89/71/1183178971.db2.gz HZRXTFDFHKUOKC-UHFFFAOYSA-N 0 0 307.349 3.489 20 10 DGCDRN CCCc1csc(NC(=O)NCc2c(O)cccc2F)n1 ZINC001466061966 1183185578 /nfs/dbraw/zinc/18/55/78/1183185578.db2.gz DXRVFDZPDWWQDN-UHFFFAOYSA-N 0 0 309.366 3.262 20 10 DGCDRN O=C(Nc1cc(O)cc(Br)c1)C1=CC(=O)CS1 ZINC001468026878 1183306766 /nfs/dbraw/zinc/30/67/66/1183306766.db2.gz YUCFUMGZJMAOHF-UHFFFAOYSA-N 0 0 314.160 3.174 20 10 DGCDRN COc1cc(C[NH2+]CCCCCC(=O)[O-])c(O)c(C(C)(C)C)c1 ZINC001607164095 1193216742 /nfs/dbraw/zinc/21/67/42/1193216742.db2.gz OFJAAPHORPQIKM-UHFFFAOYSA-N 0 0 323.433 3.433 20 10 DGCDRN CCSc1cccc(CNC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001468681524 1183351804 /nfs/dbraw/zinc/35/18/04/1183351804.db2.gz RGAGLDNRAUKFCI-UHFFFAOYSA-N 0 0 317.410 3.069 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC001468744509 1183354517 /nfs/dbraw/zinc/35/45/17/1183354517.db2.gz SZTYFLRNGFASFX-XOKHGSTOSA-N 0 0 301.434 3.049 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1C[C@H]1C1CCC1 ZINC001468744239 1183354746 /nfs/dbraw/zinc/35/47/46/1183354746.db2.gz QLSLKPXANLPBEJ-WMZOPIPTSA-N 0 0 315.461 3.296 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2CSc3ccccc32)c1 ZINC001468953585 1183372333 /nfs/dbraw/zinc/37/23/33/1183372333.db2.gz DFOHQNJEXVJCTQ-AWEZNQCLSA-N 0 0 314.410 3.347 20 10 DGCDRN COCc1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1 ZINC001469250033 1183393980 /nfs/dbraw/zinc/39/39/80/1183393980.db2.gz GWBFASHQLFIZAD-UHFFFAOYSA-N 0 0 322.364 3.017 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N[C@@H](C1CCC1)C1CCCC1 ZINC001469364577 1183405050 /nfs/dbraw/zinc/40/50/50/1183405050.db2.gz JWKLDKYVAHNDDC-GOSISDBHSA-N 0 0 303.402 3.115 20 10 DGCDRN C[C@@H](NC(=O)NCCc1ccc2[nH]ccc2c1)c1ccccc1O ZINC001469923661 1183447984 /nfs/dbraw/zinc/44/79/84/1183447984.db2.gz AACYVMRZEGIREG-CYBMUJFWSA-N 0 0 323.396 3.476 20 10 DGCDRN C[C@@H]1CCC[C@@H](CNC(=O)N2Cc3cccc(O)c3C2)[C@@H]1C ZINC001470000928 1183453957 /nfs/dbraw/zinc/45/39/57/1183453957.db2.gz KGAVTVSBHWPLGQ-MCIONIFRSA-N 0 0 302.418 3.490 20 10 DGCDRN C[C@@H](NC(=O)c1cnn2cccc(Cl)c12)c1ccccc1O ZINC001471195401 1183545437 /nfs/dbraw/zinc/54/54/37/1183545437.db2.gz HCOCLOAHALGZLL-SNVBAGLBSA-N 0 0 315.760 3.184 20 10 DGCDRN C[C@@H](NC(=O)c1cccc(Cn2ccnc2)c1)c1ccccc1O ZINC001471195644 1183545533 /nfs/dbraw/zinc/54/55/33/1183545533.db2.gz JTWKNENFISERQD-CQSZACIVSA-N 0 0 321.380 3.128 20 10 DGCDRN C[C@@H](NC(=O)c1ccnc(-c2ccccc2)n1)c1ccccc1O ZINC001471195843 1183545592 /nfs/dbraw/zinc/54/55/92/1183545592.db2.gz NLMSIHPFYQNXPI-CYBMUJFWSA-N 0 0 319.364 3.340 20 10 DGCDRN CCCN(C)c1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC001471355184 1183558732 /nfs/dbraw/zinc/55/87/32/1183558732.db2.gz DXPKLZDCIKSNKT-UHFFFAOYSA-N 0 0 310.397 3.394 20 10 DGCDRN Cc1cc(C)cc(C2(C(=O)NCc3cc(O)ccc3O)CC2)c1 ZINC001471661577 1183580235 /nfs/dbraw/zinc/58/02/35/1183580235.db2.gz TXQBTNCEDUJCDV-UHFFFAOYSA-N 0 0 311.381 3.063 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cccc(-n2cccc2)c1 ZINC001471975006 1183604427 /nfs/dbraw/zinc/60/44/27/1183604427.db2.gz OXDJISHBHQIECP-UHFFFAOYSA-N 0 0 310.328 3.252 20 10 DGCDRN Cc1cc(C(=O)NC2CSC2)c(C)n1-c1ccc(F)cc1 ZINC001472009618 1183607850 /nfs/dbraw/zinc/60/78/50/1183607850.db2.gz VDPOECFLGSNOBC-UHFFFAOYSA-N 0 0 304.390 3.078 20 10 DGCDRN O=C(CCCc1cc(F)ccc1F)NCc1c(O)cccc1O ZINC001472064000 1183612021 /nfs/dbraw/zinc/61/20/21/1183612021.db2.gz RRKNMCULTJDJCT-UHFFFAOYSA-N 0 0 321.323 3.015 20 10 DGCDRN Cc1ccc(C(=O)C(=O)NCc2c(O)ccc3ccccc32)cc1 ZINC001472086049 1183614049 /nfs/dbraw/zinc/61/40/49/1183614049.db2.gz JMBZCNWXASOXKI-UHFFFAOYSA-N 0 0 319.360 3.353 20 10 DGCDRN C[C@@H]1Cc2cccc(C(=O)NCc3cccc(Cl)c3O)c2O1 ZINC001472316973 1183634233 /nfs/dbraw/zinc/63/42/33/1183634233.db2.gz PLVGARUDVJQUEM-SNVBAGLBSA-N 0 0 317.772 3.299 20 10 DGCDRN CO[C@@H](C(=O)NCc1cccc(Cl)c1O)c1ccccc1 ZINC001472317014 1183634368 /nfs/dbraw/zinc/63/43/68/1183634368.db2.gz QYNBGXADBSGHJW-OAHLLOKOSA-N 0 0 305.761 3.050 20 10 DGCDRN CCc1cc(N[C@H](C)Cc2ccc(O)c(O)c2)nc(CC)n1 ZINC001472754778 1183677076 /nfs/dbraw/zinc/67/70/76/1183677076.db2.gz AJYYDYWBUKLUAW-LLVKDONJSA-N 0 0 301.390 3.056 20 10 DGCDRN Cc1cc2nc(Cl)cc(NCc3cc(C)ccc3O)n2n1 ZINC001472835498 1183687954 /nfs/dbraw/zinc/68/79/54/1183687954.db2.gz ALZTWRAXSUXVRQ-UHFFFAOYSA-N 0 0 302.765 3.317 20 10 DGCDRN CCOCCOCCN1C[C@@H](C(C)C)Cc2cc(OC)ccc21 ZINC001473569244 1183774449 /nfs/dbraw/zinc/77/44/49/1183774449.db2.gz FTMLPDHCGFPPQS-KRWDZBQOSA-N 0 0 321.461 3.383 20 10 DGCDRN CCn1cc(Cl)cc1C(=O)NCc1cccc(Cl)c1O ZINC001653567317 1195734879 /nfs/dbraw/zinc/73/48/79/1195734879.db2.gz ULGJYMKUDCEWJN-UHFFFAOYSA-N 0 0 313.184 3.450 20 10 DGCDRN Oc1c(F)cc(F)cc1CNc1ccc(F)c(-c2nnc[nH]2)c1 ZINC001474144782 1183873133 /nfs/dbraw/zinc/87/31/33/1183873133.db2.gz BUHRLLNTSTYNMA-UHFFFAOYSA-N 0 0 320.274 3.207 20 10 DGCDRN Cc1noc([C@@H](NC/C=C/c2ccc(N(C)C)cc2)C(C)C)n1 ZINC001474306311 1183902669 /nfs/dbraw/zinc/90/26/69/1183902669.db2.gz ARLXKYCGOBTZEJ-LXXRFIIISA-N 0 0 314.433 3.444 20 10 DGCDRN CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1cc(F)c(F)cc1[O-] ZINC001474342503 1183907679 /nfs/dbraw/zinc/90/76/79/1183907679.db2.gz AJTDWDVKIRCQPS-HNNXBMFYSA-N 0 0 321.367 3.444 20 10 DGCDRN CCCNC(=O)CN(CCC)Cc1c(O)cc(C)cc1Cl ZINC001474363753 1183910681 /nfs/dbraw/zinc/91/06/81/1183910681.db2.gz KXIYTRVYENJTPG-UHFFFAOYSA-N 0 0 312.841 3.092 20 10 DGCDRN O=c1ccc(CN2CCCc3cc(OC(F)F)ccc32)c[nH]1 ZINC001474421097 1183918631 /nfs/dbraw/zinc/91/86/31/1183918631.db2.gz FJKSWOMBSXMXES-UHFFFAOYSA-N 0 0 306.312 3.341 20 10 DGCDRN C[NH+](C)CCN(Cc1ccccc1)Cc1cc(F)cc(F)c1[O-] ZINC001474506439 1183932792 /nfs/dbraw/zinc/93/27/92/1183932792.db2.gz ZMSUJSSNJSKDSC-UHFFFAOYSA-N 0 0 320.383 3.234 20 10 DGCDRN C[C@H]1CN(Cc2cc(F)cc(F)c2O)c2ccccc2NC1=O ZINC001474523210 1183935028 /nfs/dbraw/zinc/93/50/28/1183935028.db2.gz SFBRLUNPFRHMII-JTQLQIEISA-N 0 0 318.323 3.265 20 10 DGCDRN O=c1[nH]c2cc(F)ccc2cc1C[NH2+]Cc1c([O-])cccc1F ZINC001474716338 1183967843 /nfs/dbraw/zinc/96/78/43/1183967843.db2.gz JZLAQBPDFXPXHU-UHFFFAOYSA-N 0 0 316.307 3.214 20 10 DGCDRN COC(=O)c1cc(C)cc(NCc2cc(C)cc(OC)c2O)c1 ZINC001474729702 1183969023 /nfs/dbraw/zinc/96/90/23/1183969023.db2.gz JJLBMAUOJGYXAO-UHFFFAOYSA-N 0 0 315.369 3.416 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccccc2-n2cccn2)c1 ZINC001475951934 1184023590 /nfs/dbraw/zinc/02/35/90/1184023590.db2.gz CSDLXDPWIZKWSP-UHFFFAOYSA-N 0 0 322.368 3.208 20 10 DGCDRN Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC001607811283 1193259890 /nfs/dbraw/zinc/25/98/90/1193259890.db2.gz OYVNHSDMFYKYSY-NXEZZACHSA-N 0 0 306.387 3.267 20 10 DGCDRN CC[C@@H]1C[C@H]1CNC(=O)NCc1ccc(N(CC)CC)cc1 ZINC001477533255 1184094719 /nfs/dbraw/zinc/09/47/19/1184094719.db2.gz AVNNFWUBWWDLLF-CVEARBPZSA-N 0 0 303.450 3.378 20 10 DGCDRN C[C@H]1CC[C@H]1NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001478604495 1184163423 /nfs/dbraw/zinc/16/34/23/1184163423.db2.gz FBUBIESWYXDCCT-WMLDXEAASA-N 0 0 301.434 3.227 20 10 DGCDRN CC(C)(CNC(=O)NCc1c(O)cccc1F)C1=CCCC1 ZINC001478777852 1184175178 /nfs/dbraw/zinc/17/51/78/1184175178.db2.gz NNBLURCSCBAVKA-UHFFFAOYSA-N 0 0 306.381 3.467 20 10 DGCDRN COc1ccc(CNC(=O)NCC2CCC3(CC3)CC2)c(O)c1 ZINC001479057795 1184198564 /nfs/dbraw/zinc/19/85/64/1184198564.db2.gz JNKWTOWYBBSVTJ-UHFFFAOYSA-N 0 0 318.417 3.170 20 10 DGCDRN C[C@H](NC(=O)NCc1noc2ccccc21)c1ccccc1O ZINC001479288808 1184228403 /nfs/dbraw/zinc/22/84/03/1184228403.db2.gz RMBFQYVZRFKSJR-NSHDSACASA-N 0 0 311.341 3.094 20 10 DGCDRN O=C([O-])c1ccc(Cl)c(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC001608892067 1193311243 /nfs/dbraw/zinc/31/12/43/1193311243.db2.gz BOLNHDGJWQLHLY-UHFFFAOYSA-N 0 0 317.772 3.263 20 10 DGCDRN CC(C)[N@@H+]1CCCC[C@@H]1CSc1ncc(C(=O)[O-])s1 ZINC001609706837 1193351105 /nfs/dbraw/zinc/35/11/05/1193351105.db2.gz PLJZDJCTNNTRED-SNVBAGLBSA-N 0 0 300.449 3.196 20 10 DGCDRN C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001609755261 1193354642 /nfs/dbraw/zinc/35/46/42/1193354642.db2.gz YTNCTARQIGXANQ-VXGBXAGGSA-N 0 0 315.369 3.078 20 10 DGCDRN CC(C)c1ccc(CNC(=O)c2c(F)ccc(O)c2O)cc1 ZINC001609850369 1193361008 /nfs/dbraw/zinc/36/10/08/1193361008.db2.gz HGHKYDMNUVDNDF-UHFFFAOYSA-N 0 0 303.333 3.290 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@H]1C(=O)[O-] ZINC001610392369 1193385893 /nfs/dbraw/zinc/38/58/93/1193385893.db2.gz JOMPFJRXWAXNGW-CXAGYDPISA-N 0 0 311.381 3.212 20 10 DGCDRN Cc1cc(O)c(C[NH2+][C@H](C(=O)[O-])c2cc(F)ccc2F)cc1C ZINC001610475915 1193391283 /nfs/dbraw/zinc/39/12/83/1193391283.db2.gz PIXGOGCOIMYTHC-INIZCTEOSA-N 0 0 321.323 3.203 20 10 DGCDRN O=C([O-])CN(Cc1ccsc1)Cc1cc(Cl)ccc1O ZINC001610781440 1193408353 /nfs/dbraw/zinc/40/83/53/1193408353.db2.gz BELLTOMFBUYAGY-UHFFFAOYSA-N 0 0 311.790 3.194 20 10 DGCDRN CC(C)CC[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001611413262 1193432781 /nfs/dbraw/zinc/43/27/81/1193432781.db2.gz VNHDMVPMDYVYII-LSDHHAIUSA-N 0 0 305.418 3.361 20 10 DGCDRN C[C@@H](NC(=O)c1c(F)ccc(O)c1O)c1c(F)cccc1F ZINC001611666827 1193439895 /nfs/dbraw/zinc/43/98/95/1193439895.db2.gz CQINUPJMAXMEEM-SSDOTTSWSA-N 0 0 311.259 3.006 20 10 DGCDRN COc1cccc(CNc2cc(Br)cc(C)n2)c1O ZINC001611939790 1193443626 /nfs/dbraw/zinc/44/36/26/1193443626.db2.gz NBTIDUMTDNOJAZ-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN CCCOc1ccnc(NCCCSc2nccs2)n1 ZINC001611945621 1193444023 /nfs/dbraw/zinc/44/40/23/1193444023.db2.gz ZYTONHVWXAMYLE-UHFFFAOYSA-N 0 0 310.448 3.316 20 10 DGCDRN COC(=O)c1cnc(Sc2ncnc3cccc(C)c32)s1 ZINC001612422771 1193451738 /nfs/dbraw/zinc/45/17/38/1193451738.db2.gz FJEJBHSDDXHMQW-UHFFFAOYSA-N 0 0 317.395 3.333 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)C1(C)CC1 ZINC001519811609 1186897257 /nfs/dbraw/zinc/89/72/57/1186897257.db2.gz GPKNLJXBUYKXIZ-CQSZACIVSA-N 0 0 303.450 3.473 20 10 DGCDRN C[C@@H]1C[C@H](C)N(c2nnc(C3SC=CC3=O)n2CC2CC2)C1 ZINC001520582134 1186954672 /nfs/dbraw/zinc/95/46/72/1186954672.db2.gz ZXRIJUFAAKXKTH-MNOVXSKESA-N 0 0 318.446 3.357 20 10 DGCDRN O=C(NCc1cccc(O)c1O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001521851634 1187052644 /nfs/dbraw/zinc/05/26/44/1187052644.db2.gz OLVYVGZQIXREMT-NXEZZACHSA-N 0 0 323.801 3.233 20 10 DGCDRN COC(=O)/C=C\c1ccc(N(C)C[Si](C)(C)C)c([N+](=O)[O-])c1 ZINC001612950167 1193464476 /nfs/dbraw/zinc/46/44/76/1193464476.db2.gz HWAAGLDIWBJPOW-CLFYSBASSA-N 0 0 322.437 3.095 20 10 DGCDRN CC[C@@](C)(OC)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001525106896 1187297249 /nfs/dbraw/zinc/29/72/49/1187297249.db2.gz ODVSJQPBJJPXBZ-GOSISDBHSA-N 0 0 304.434 3.060 20 10 DGCDRN Cn1cnc(/C=C\C(=O)N2CCCc3ccc(Cl)c(F)c32)c1 ZINC001525618410 1187325010 /nfs/dbraw/zinc/32/50/10/1187325010.db2.gz AFVKLSJGUFDHCI-ALCCZGGFSA-N 0 0 319.767 3.205 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2CC[C@H](C)O2)cc1 ZINC001527731994 1187445576 /nfs/dbraw/zinc/44/55/76/1187445576.db2.gz GWYPOGKVGZETSS-MAUKXSAKSA-N 0 0 312.413 3.391 20 10 DGCDRN C[C@H](NC(=O)c1ccc2cnccc2n1)c1ccc(N(C)C)cc1 ZINC001529479935 1187562514 /nfs/dbraw/zinc/56/25/14/1187562514.db2.gz NTJNWFSJMDSCTE-ZDUSSCGKSA-N 0 0 320.396 3.187 20 10 DGCDRN Cn1cc(/C=C\C(=O)N2CCCc3ccc(F)c(Cl)c32)cn1 ZINC001530376947 1187623460 /nfs/dbraw/zinc/62/34/60/1187623460.db2.gz DUTOTDUPVLUHAS-DAXSKMNVSA-N 0 0 319.767 3.205 20 10 DGCDRN C/C(=C\c1cccnc1)C(=O)N1CCOc2cc(F)c(F)cc21 ZINC001530995448 1187658675 /nfs/dbraw/zinc/65/86/75/1187658675.db2.gz DXVPRCIZZQNHLA-YRNVUSSQSA-N 0 0 316.307 3.189 20 10 DGCDRN CC[C@@H]1CCC[C@H]1C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001531375041 1187682978 /nfs/dbraw/zinc/68/29/78/1187682978.db2.gz PSBNBUSIHPNKLI-CRAIPNDOSA-N 0 0 318.461 3.416 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@]23C[C@@H]2COC3(C)C)cc1 ZINC001532204172 1187740229 /nfs/dbraw/zinc/74/02/29/1187740229.db2.gz FPEUZMKULFRTMW-UZLBHIALSA-N 0 0 324.424 3.391 20 10 DGCDRN COc1ncc(/C=C/C(=O)N2CC[C@H](C)c3cccc(C)c32)cn1 ZINC001534104859 1187876048 /nfs/dbraw/zinc/87/60/48/1187876048.db2.gz NSRRWJLMQUTYDI-GWJCSSMESA-N 0 0 323.396 3.347 20 10 DGCDRN Cc1cc(CNC(=O)c2ccnc(C)n2)c(C)n1-c1ccccc1 ZINC001535143827 1187940793 /nfs/dbraw/zinc/94/07/93/1187940793.db2.gz PCUUTWZCJXTDTB-UHFFFAOYSA-N 0 0 320.396 3.123 20 10 DGCDRN C/C(=C\c1cccnc1)C(=O)N1CCOc2c(F)c(F)ccc21 ZINC001536464308 1188010153 /nfs/dbraw/zinc/01/01/53/1188010153.db2.gz DUEHGDOUMYSPSE-PKNBQFBNSA-N 0 0 316.307 3.189 20 10 DGCDRN Cc1ccc(/C=C/C(=O)N2CCOc3c(F)cc(F)cc32)cn1 ZINC001616248087 1193533872 /nfs/dbraw/zinc/53/38/72/1193533872.db2.gz YNQGKZCURQKLHM-SNAWJCMRSA-N 0 0 316.307 3.107 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2COC[C@H]2C2CC2)cc1 ZINC001537611183 1188086783 /nfs/dbraw/zinc/08/67/83/1188086783.db2.gz QEXRNKAOGSBERQ-OALUTQOASA-N 0 0 324.424 3.249 20 10 DGCDRN Cc1ncc(/C=C/C(=O)N2CCOc3cc(F)c(F)cc32)s1 ZINC001537928893 1188107941 /nfs/dbraw/zinc/10/79/41/1188107941.db2.gz RSSRECMBRWZRES-NSCUHMNNSA-N 0 0 322.336 3.169 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)c1cnc2cc[nH]c2c1 ZINC001539054653 1188175444 /nfs/dbraw/zinc/17/54/44/1188175444.db2.gz XFJSUGKMEIHDDN-UHFFFAOYSA-N 0 0 313.704 3.005 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc(F)c[nH]1 ZINC001539467481 1188191743 /nfs/dbraw/zinc/19/17/43/1188191743.db2.gz CIBJKCQHMVLLIA-UHFFFAOYSA-N 0 0 301.365 3.026 20 10 DGCDRN CC[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(F)(F)F ZINC001616828189 1193548454 /nfs/dbraw/zinc/54/84/54/1193548454.db2.gz UEFZSMFBWPFWFO-NSHDSACASA-N 0 0 319.304 3.383 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2cc3ncccc3o2)cc1 ZINC001540440899 1188240139 /nfs/dbraw/zinc/24/01/39/1188240139.db2.gz YFRKEFIQRZGEFV-UHFFFAOYSA-N 0 0 309.369 3.166 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)[C@@]2(O)CCCC(C)(C)C2)cc1 ZINC001540518227 1188244041 /nfs/dbraw/zinc/24/40/41/1188244041.db2.gz FTVNIAXFYBRBJT-LJQANCHMSA-N 0 0 318.461 3.042 20 10 DGCDRN CCN(C(=O)Cc1ccc(O)c(O)c1)c1cccc(Cl)c1 ZINC001540687313 1188253955 /nfs/dbraw/zinc/25/39/55/1188253955.db2.gz IWJICCJCDRQPJL-UHFFFAOYSA-N 0 0 305.761 3.347 20 10 DGCDRN CC[C@@](C)(O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC001542412233 1188284294 /nfs/dbraw/zinc/28/42/94/1188284294.db2.gz SJBUWELQDFRMMU-LJQANCHMSA-N 0 0 318.461 3.233 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccc3[nH]ccc3n2)cc1 ZINC001543179377 1188317736 /nfs/dbraw/zinc/31/77/36/1188317736.db2.gz IJFJRFYURUGKIC-UHFFFAOYSA-N 0 0 322.412 3.339 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCCCC[C@H]1c1ccco1 ZINC001543968789 1188372223 /nfs/dbraw/zinc/37/22/23/1188372223.db2.gz HPQUKSZMWRNEKO-AWEZNQCLSA-N 0 0 315.369 3.377 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C2([NH+](C)C)CCCC2)cc1 ZINC001544580758 1188400492 /nfs/dbraw/zinc/40/04/92/1188400492.db2.gz SCGJVDHGSNNBKC-UHFFFAOYSA-N 0 0 317.477 3.023 20 10 DGCDRN O=C(Nc1cccc(N2CCCC2)c1)c1ccc(CO)c(F)c1 ZINC001544687687 1188406249 /nfs/dbraw/zinc/40/62/49/1188406249.db2.gz PLJXAKWOOADBEW-UHFFFAOYSA-N 0 0 314.360 3.171 20 10 DGCDRN C[C@H]1CN(C(=O)/C=C\c2cccnc2)c2cc(F)c(F)cc2O1 ZINC001617199881 1193561426 /nfs/dbraw/zinc/56/14/26/1193561426.db2.gz LKYZXORJINQMGF-WYGGZMRJSA-N 0 0 316.307 3.187 20 10 DGCDRN Cc1cc(C(=O)NCCc2cc[nH]n2)c(C)n1-c1ccc(C)cc1 ZINC001548790841 1188463607 /nfs/dbraw/zinc/46/36/07/1188463607.db2.gz ONAXBMOCDHDBKB-UHFFFAOYSA-N 0 0 322.412 3.098 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCc3cc(F)ccc32)c1O ZINC001617539004 1193572635 /nfs/dbraw/zinc/57/26/35/1193572635.db2.gz QOCAULSYAJXPJU-UHFFFAOYSA-N 0 0 303.308 3.436 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC001556392927 1188998488 /nfs/dbraw/zinc/99/84/88/1188998488.db2.gz NOKBMRLUBJSBAA-ZWKOTPCHSA-N 0 0 322.408 3.435 20 10 DGCDRN CC[C@@H](NC(=O)c1cc(C)n(-c2ccccc2C)c1C)[C@@H](C)O ZINC001556585667 1189007759 /nfs/dbraw/zinc/00/77/59/1189007759.db2.gz BLBQDQSNPNVVDE-NVXWUHKLSA-N 0 0 314.429 3.292 20 10 DGCDRN CCCCc1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)n[nH]1 ZINC001557249567 1189050584 /nfs/dbraw/zinc/05/05/84/1189050584.db2.gz ZJXQRAKZDSEEHH-UHFFFAOYSA-N 0 0 314.349 3.167 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001557340419 1189057631 /nfs/dbraw/zinc/05/76/31/1189057631.db2.gz KGQCALRRVOHMPA-SUMDDJOVSA-N 0 0 324.424 3.452 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)/C=C\SCc2ccco2)c1 ZINC001557552273 1189070929 /nfs/dbraw/zinc/07/09/29/1189070929.db2.gz AYPFCXMXHODVEY-VURMDHGXSA-N 0 0 303.383 3.357 20 10 DGCDRN Cc1c(C(=O)N[C@H](C)c2ccccc2O)cccc1[N+](=O)[O-] ZINC001557967226 1189095161 /nfs/dbraw/zinc/09/51/61/1189095161.db2.gz XRFVLDCLMOPVAR-LLVKDONJSA-N 0 0 300.314 3.100 20 10 DGCDRN CC[C@@H](C)Oc1cccc(NC(=O)c2ccc(C)c(O)c2O)n1 ZINC001558020539 1189099362 /nfs/dbraw/zinc/09/93/62/1189099362.db2.gz PYAQSERXVRIUIS-LLVKDONJSA-N 0 0 316.357 3.231 20 10 DGCDRN CCC(=O)c1ccc(C(=O)NCc2c(O)cccc2F)cc1 ZINC001558455149 1189126441 /nfs/dbraw/zinc/12/64/41/1189126441.db2.gz QKHVGNHFRQKSDF-UHFFFAOYSA-N 0 0 301.317 3.054 20 10 DGCDRN O=C(CCCc1ccc(F)c(F)c1)NCc1c(O)cccc1O ZINC001558534915 1189132178 /nfs/dbraw/zinc/13/21/78/1189132178.db2.gz ZUMZHZMNQLULRX-UHFFFAOYSA-N 0 0 321.323 3.015 20 10 DGCDRN CCn1c(C(=O)NCc2c(O)cccc2O)cc2ccccc21 ZINC001558533596 1189132368 /nfs/dbraw/zinc/13/23/68/1189132368.db2.gz IECRWFJMMGRYFJ-UHFFFAOYSA-N 0 0 310.353 3.002 20 10 DGCDRN C[C@H]1CCc2c(C(=O)NCc3c(O)cccc3O)csc2C1 ZINC001558534708 1189132393 /nfs/dbraw/zinc/13/23/93/1189132393.db2.gz XEAIQECRIKDBNZ-JTQLQIEISA-N 0 0 317.410 3.214 20 10 DGCDRN COc1ccc(C(=O)NCc2cccc(Cl)c2O)c(C)c1 ZINC001558757077 1189146709 /nfs/dbraw/zinc/14/67/09/1189146709.db2.gz NYDCGDWGFMWKIA-UHFFFAOYSA-N 0 0 305.761 3.293 20 10 DGCDRN O=C(NC1CCC(C2CCC2)CC1)c1c(F)ccc(O)c1O ZINC001559017584 1189163024 /nfs/dbraw/zinc/16/30/24/1189163024.db2.gz RWNPXDYBIJSBLC-UHFFFAOYSA-N 0 0 307.365 3.326 20 10 DGCDRN COc1cc(CSc2ncc(-c3ccccc3)n2C)on1 ZINC001559342227 1189197460 /nfs/dbraw/zinc/19/74/60/1189197460.db2.gz VCRLGQWQYIBSHD-UHFFFAOYSA-N 0 0 301.371 3.376 20 10 DGCDRN CNC(=O)[C@H](Cc1ccccc1)Sc1ncc(Cl)s1 ZINC001559445539 1189206135 /nfs/dbraw/zinc/20/61/35/1189206135.db2.gz FKDNPKJYDRGGIZ-JTQLQIEISA-N 0 0 312.847 3.246 20 10 DGCDRN COC(=O)[C@H](NCc1ccc(N2CCCCC2)c(C)c1)C(C)C ZINC001560164589 1189286310 /nfs/dbraw/zinc/28/63/10/1189286310.db2.gz CUUDPWZEYCJBCJ-GOSISDBHSA-N 0 0 318.461 3.273 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CCCC[C@@]23CCOC3)c1O ZINC001560233163 1189295813 /nfs/dbraw/zinc/29/58/13/1189295813.db2.gz SVLBEPFLFXJSLA-KRWDZBQOSA-N 0 0 323.820 3.393 20 10 DGCDRN Cn1cc(-c2cccc(NCc3cc(F)cc(F)c3O)c2)nn1 ZINC001560539072 1189338549 /nfs/dbraw/zinc/33/85/49/1189338549.db2.gz NXARWQRMAJZTAB-UHFFFAOYSA-N 0 0 316.311 3.078 20 10 DGCDRN CC1(C)CO[C@H](CC[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC001560588162 1189344982 /nfs/dbraw/zinc/34/49/82/1189344982.db2.gz OERTVQVVSLWOAG-SNVBAGLBSA-N 0 0 301.789 3.480 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H](CO)CCc1ccccc1 ZINC001560594573 1189345562 /nfs/dbraw/zinc/34/55/62/1189345562.db2.gz RJBDUDDGQOMBDW-CYBMUJFWSA-N 0 0 323.795 3.268 20 10 DGCDRN CCOC(=O)CN(CC)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001560679241 1189359032 /nfs/dbraw/zinc/35/90/32/1189359032.db2.gz GZYHAOYFQFMSEM-UHFFFAOYSA-N 0 0 323.433 3.083 20 10 DGCDRN Oc1cc(F)c(F)cc1CNc1cccc2c1OCC[C@H]2O ZINC001560736731 1189371056 /nfs/dbraw/zinc/37/10/56/1189371056.db2.gz XXJHBIWHRWMTGH-CQSZACIVSA-N 0 0 307.296 3.098 20 10 DGCDRN C[C@H]1CN(Cc2ccc(Cl)cc2O)C[C@@](C)(C(F)F)O1 ZINC001560938365 1189408913 /nfs/dbraw/zinc/40/89/13/1189408913.db2.gz CLYPNVZPGQAPQU-XPTSAGLGSA-N 0 0 305.752 3.290 20 10 DGCDRN COC(=O)C[C@@](C)([NH2+]Cc1c([O-])ccc(Cl)c1F)C1CC1 ZINC001560976418 1189413392 /nfs/dbraw/zinc/41/33/92/1189413392.db2.gz SXQXVAVGSAGMII-OAHLLOKOSA-N 0 0 315.772 3.006 20 10 DGCDRN Cc1cc(O)c(CN2CC(F)(F)OC(F)(F)C2)c(Cl)c1 ZINC001561015239 1189420618 /nfs/dbraw/zinc/42/06/18/1189420618.db2.gz OWZVAFGOCNZUCP-UHFFFAOYSA-N 0 0 313.678 3.372 20 10 DGCDRN COC(=O)[C@@H]1Cc2ccccc2N(Cc2ccc(C)cc2O)C1 ZINC001561023480 1189422127 /nfs/dbraw/zinc/42/21/27/1189422127.db2.gz QQRYBOXNXYBWMM-MRXNPFEDSA-N 0 0 311.381 3.053 20 10 DGCDRN CCCC1(CNC(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC001563792721 1189534153 /nfs/dbraw/zinc/53/41/53/1189534153.db2.gz VPAYKWZWCUCTGZ-UHFFFAOYSA-N 0 0 315.461 3.449 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCC[C@@H]2CC[C@@H]3C[C@@H]32)cc1F ZINC001563810372 1189536293 /nfs/dbraw/zinc/53/62/93/1189536293.db2.gz DECORPDCVAGMSK-RRFJBIMHSA-N 0 0 319.424 3.127 20 10 DGCDRN CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)N[C@H](C)c1ccccc1O ZINC001564411064 1189573688 /nfs/dbraw/zinc/57/36/88/1189573688.db2.gz CFTHRYDYTIROAV-UHOFOFEASA-N 0 0 320.433 3.346 20 10 DGCDRN O=C(Nc1ccc(F)cc1OC(F)F)C1=CC(=O)CS1 ZINC001566105014 1189734249 /nfs/dbraw/zinc/73/42/49/1189734249.db2.gz QRJYRAMGSDRTKE-UHFFFAOYSA-N 0 0 303.261 3.447 20 10 DGCDRN CC[C@@H](O)CCNC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001566287844 1189760333 /nfs/dbraw/zinc/76/03/33/1189760333.db2.gz UFCQKMHFKSMQEZ-MRXNPFEDSA-N 0 0 314.429 3.293 20 10 DGCDRN O=C(CCc1ccc(Cl)c(F)c1)NCc1ccc(O)c(O)c1 ZINC001566359500 1189764494 /nfs/dbraw/zinc/76/44/94/1189764494.db2.gz FLSOSSBAHXJGAL-UHFFFAOYSA-N 0 0 323.751 3.139 20 10 DGCDRN Cc1cccc(C2=CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)c1 ZINC001566897876 1189942362 /nfs/dbraw/zinc/94/23/62/1189942362.db2.gz JVYGOUKLMRUVND-UHFFFAOYSA-N 0 0 323.392 3.265 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CC2(CCC2)c2ccccc21 ZINC001567546610 1190215860 /nfs/dbraw/zinc/21/58/60/1190215860.db2.gz BWXMTEUYZXDOQM-UHFFFAOYSA-N 0 0 309.365 3.109 20 10 DGCDRN CC(C)(C)Nc1ccccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001568186215 1190445542 /nfs/dbraw/zinc/44/55/42/1190445542.db2.gz NCGFEODCADRULM-UHFFFAOYSA-N 0 0 314.385 3.489 20 10 DGCDRN C[C@@H](Cc1ccsc1)N(C)C(=O)NCc1ccc(N)cc1 ZINC001576065352 1191526649 /nfs/dbraw/zinc/52/66/49/1191526649.db2.gz CCBMDCSNOLDUEO-LBPRGKRZSA-N 0 0 303.431 3.103 20 10 DGCDRN C[C@H](NC(=O)[C@@H]1CNc2ccccc21)c1ccc(N(C)C)cc1 ZINC001576189792 1191538891 /nfs/dbraw/zinc/53/88/91/1191538891.db2.gz VCILKPYTXFKCIR-SUMWQHHRSA-N 0 0 309.413 3.139 20 10 DGCDRN Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001620717009 1193794131 /nfs/dbraw/zinc/79/41/31/1193794131.db2.gz JKJKFDHWABYSEO-ZDUSSCGKSA-N 0 0 309.772 3.085 20 10 DGCDRN C[S@](=N)(=O)c1ccc(NCc2cc(F)cc(F)c2O)cc1 ZINC001621078221 1193799657 /nfs/dbraw/zinc/79/96/57/1193799657.db2.gz HATUAEGKQDPKAZ-NRFANRHFSA-N 0 0 312.341 3.318 20 10 DGCDRN CCOc1ccc2c(c1)C[N@@H+](Cc1cccc(F)c1[O-])CC2 ZINC001621137581 1193807295 /nfs/dbraw/zinc/80/72/95/1193807295.db2.gz DGTGQBCQHBXSPC-UHFFFAOYSA-N 0 0 301.361 3.488 20 10 DGCDRN COC(=O)c1cnc([C@@H](C)N2CCc3cc(OC)ccc32)s1 ZINC001621194121 1193815663 /nfs/dbraw/zinc/81/56/63/1193815663.db2.gz GXRVEFWEKANGLJ-SNVBAGLBSA-N 0 0 318.398 3.062 20 10 DGCDRN CN(C)c1ccc(/C=C\CN2C[C@@H](CO)c3ccccc32)cc1 ZINC001621349403 1193832356 /nfs/dbraw/zinc/83/23/56/1193832356.db2.gz GMXRWSWHCZFZQY-OSJSJHBBSA-N 0 0 308.425 3.362 20 10 DGCDRN CC(C)OC(=O)C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C(C)C ZINC001621413565 1193839397 /nfs/dbraw/zinc/83/93/97/1193839397.db2.gz PIKAWSPYJGZPIU-CQSZACIVSA-N 0 0 315.360 3.126 20 10 DGCDRN CON(C)C(=O)c1ccc(NCc2ccc(Cl)cc2O)cc1 ZINC001621416864 1193840650 /nfs/dbraw/zinc/84/06/50/1193840650.db2.gz PDFZOIQDIKJKEL-UHFFFAOYSA-N 0 0 320.776 3.291 20 10 DGCDRN COc1cc(C)c(CNc2ccc3c(cc[nH]c3=O)c2)c(O)c1 ZINC001621432669 1193842048 /nfs/dbraw/zinc/84/20/48/1193842048.db2.gz WDZBLIPLZAMMJY-UHFFFAOYSA-N 0 0 310.353 3.163 20 10 DGCDRN O=[N+]([O-])c1ccc(CN2Cc3cccc(O)c3C2)c(Cl)c1 ZINC001621490511 1193849323 /nfs/dbraw/zinc/84/93/23/1193849323.db2.gz CVVLHPFONDPJDN-UHFFFAOYSA-N 0 0 304.733 3.470 20 10 DGCDRN Cc1cc(CC(=O)N2COCC2(C)C)c(C)n1-c1ccccc1 ZINC001623717898 1193946522 /nfs/dbraw/zinc/94/65/22/1193946522.db2.gz YFTLBNJSHHYWHO-UHFFFAOYSA-N 0 0 312.413 3.232 20 10 DGCDRN C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(Cl)s1 ZINC001624211716 1193985877 /nfs/dbraw/zinc/98/58/77/1193985877.db2.gz TZLHJHWHQLBPKD-QMMMGPOBSA-N 0 0 311.790 3.233 20 10 DGCDRN CCCOc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001624385148 1193995665 /nfs/dbraw/zinc/99/56/65/1193995665.db2.gz WCDFCXOFKFQVIQ-UHFFFAOYSA-N 0 0 301.342 3.068 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H](O)C(C)(C)CC)cc1 ZINC001624541453 1194002084 /nfs/dbraw/zinc/00/20/84/1194002084.db2.gz QCMIDSBJSNHAGB-KRWDZBQOSA-N 0 0 320.477 3.288 20 10 DGCDRN CCOc1ccc(N(CC)C(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001625254620 1194040041 /nfs/dbraw/zinc/04/00/41/1194040041.db2.gz SPPRRLUINNNAOT-UHFFFAOYSA-N 0 0 315.369 3.092 20 10 DGCDRN Cc1ccc(C(=O)N[C@H]2CCCc3c(F)cccc32)c(O)c1O ZINC001625368724 1194046606 /nfs/dbraw/zinc/04/66/06/1194046606.db2.gz REQGEXRWWQSUOY-HNNXBMFYSA-N 0 0 315.344 3.353 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCc2c1cccc2Cl ZINC001625548905 1194057939 /nfs/dbraw/zinc/05/79/39/1194057939.db2.gz DBZVBVJBYGGMOT-AWEZNQCLSA-N 0 0 317.772 3.097 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)NC1CCC1 ZINC001625761208 1194067805 /nfs/dbraw/zinc/06/78/05/1194067805.db2.gz HIKCUYRFAVDLLL-UHFFFAOYSA-N 0 0 307.357 3.070 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1nccn1C ZINC001626593840 1194084769 /nfs/dbraw/zinc/08/47/69/1194084769.db2.gz TWKYLRWJUFTGSZ-UHFFFAOYSA-N 0 0 300.387 3.141 20 10 DGCDRN CCC[C@H](O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC001627006515 1194106724 /nfs/dbraw/zinc/10/67/24/1194106724.db2.gz QFIGVRURLOPPBA-SFHVURJKSA-N 0 0 318.461 3.233 20 10 DGCDRN CN(C)c1ccc(F)cc1NC(=O)N1Cc2cccc(O)c2C1 ZINC001627364979 1194124468 /nfs/dbraw/zinc/12/44/68/1194124468.db2.gz AMFACRYJRISJPF-UHFFFAOYSA-N 0 0 315.348 3.145 20 10 DGCDRN O=C(NCc1ccc(-c2cnco2)cc1)C1=CC(=O)CS1 ZINC001627592920 1194135877 /nfs/dbraw/zinc/13/58/77/1194135877.db2.gz DDRNYJBWIJBVGZ-UHFFFAOYSA-N 0 0 300.339 3.039 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)Nc1ccnc(-c2ccccc2)c1 ZINC001627806693 1194145020 /nfs/dbraw/zinc/14/50/20/1194145020.db2.gz JJGUNCWULPMORO-UHFFFAOYSA-N 0 0 320.348 3.341 20 10 DGCDRN C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(C)(C)c1ccccc1 ZINC001627842839 1194145800 /nfs/dbraw/zinc/14/58/00/1194145800.db2.gz JQKUQHCNLXTWBO-CYBMUJFWSA-N 0 0 313.397 3.123 20 10 DGCDRN O=C(NCc1cccc(-c2cnco2)c1)C1=CC(=O)CS1 ZINC001628221547 1194167163 /nfs/dbraw/zinc/16/71/63/1194167163.db2.gz NESWAVRMEQJLRQ-UHFFFAOYSA-N 0 0 300.339 3.039 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCS[C@@H](c2ccccc2)C1 ZINC001628636743 1194189507 /nfs/dbraw/zinc/18/95/07/1194189507.db2.gz YYQCTVRWLJQULP-OAHLLOKOSA-N 0 0 315.394 3.028 20 10 DGCDRN O=C(Nc1ccnc(OCC(F)(F)F)c1)C1=CC(=O)CS1 ZINC001629107863 1194214263 /nfs/dbraw/zinc/21/42/63/1194214263.db2.gz QGIWSOHQFWCMJO-UHFFFAOYSA-N 0 0 318.276 3.042 20 10 DGCDRN CCC[C@@H](C)NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001629298388 1194225033 /nfs/dbraw/zinc/22/50/33/1194225033.db2.gz ONYFSGIKXXLMJR-HUUCEWRRSA-N 0 0 305.466 3.480 20 10 DGCDRN CCc1cccc(N(C)C(=O)c2c[nH]nc2-c2cccnc2)c1 ZINC001629430082 1194233925 /nfs/dbraw/zinc/23/39/25/1194233925.db2.gz LBYINQXPYZAUIY-UHFFFAOYSA-N 0 0 306.369 3.311 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC1CCCC1 ZINC001629583004 1194242073 /nfs/dbraw/zinc/24/20/73/1194242073.db2.gz UDIWEYJOIQBRHE-OAHLLOKOSA-N 0 0 317.477 3.481 20 10 DGCDRN C[C@H](NC(=O)NCc1ccc(F)c(F)c1)c1ccccc1O ZINC001630187074 1194273529 /nfs/dbraw/zinc/27/35/29/1194273529.db2.gz BUSXFYQUJVWYAD-JTQLQIEISA-N 0 0 306.312 3.231 20 10 DGCDRN O=C(Cc1cc2cc(Cl)ccc2[nH]1)NCc1ccccc1O ZINC001630362913 1194282914 /nfs/dbraw/zinc/28/29/14/1194282914.db2.gz BMWVNELLZHNGOR-UHFFFAOYSA-N 0 0 314.772 3.386 20 10 DGCDRN CCC/C=C\[C@H](O)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001630698224 1194298320 /nfs/dbraw/zinc/29/83/20/1194298320.db2.gz OUWQAFFDEDORRW-MTIYJEKLSA-N 0 0 316.445 3.010 20 10 DGCDRN C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(Cl)c(F)c1 ZINC001630776138 1194303538 /nfs/dbraw/zinc/30/35/38/1194303538.db2.gz UEJJSPOMASZWBQ-VIFPVBQESA-N 0 0 323.751 3.310 20 10 DGCDRN COc1cccc(N(CC(C)C)C(=O)c2cccc(O)c2O)c1 ZINC001631411428 1194334590 /nfs/dbraw/zinc/33/45/90/1194334590.db2.gz WCYXAEWOSUXMJI-UHFFFAOYSA-N 0 0 315.369 3.409 20 10 DGCDRN C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1ccns1 ZINC001631431383 1194334987 /nfs/dbraw/zinc/33/49/87/1194334987.db2.gz ZLHYVARADQYALY-SSDOTTSWSA-N 0 0 320.395 3.260 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc(Cl)cc2N)cc1F ZINC001631437966 1194335346 /nfs/dbraw/zinc/33/53/46/1194335346.db2.gz JCBPAQICSGPOTC-UHFFFAOYSA-N 0 0 321.783 3.057 20 10 DGCDRN CSCCc1ccccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001631655048 1194348591 /nfs/dbraw/zinc/34/85/91/1194348591.db2.gz BGQDVHPNMQUDJV-UHFFFAOYSA-N 0 0 317.410 3.185 20 10 DGCDRN COc1cccc2c1CN(C(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001632187292 1194376105 /nfs/dbraw/zinc/37/61/05/1194376105.db2.gz KVKYUHYQLIZKHY-UHFFFAOYSA-N 0 0 324.340 3.014 20 10 DGCDRN CO[C@H](C(=O)N[C@H](C)c1ccccc1O)c1ccc(F)cc1 ZINC001632250133 1194379295 /nfs/dbraw/zinc/37/92/95/1194379295.db2.gz KWRQJZCZHSIDLP-BZNIZROVSA-N 0 0 303.333 3.096 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cscc1Cl ZINC001632681706 1194402384 /nfs/dbraw/zinc/40/23/84/1194402384.db2.gz UXUCVDYKUGFEBC-MRVPVSSYSA-N 0 0 311.790 3.174 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2C[C@@H](O)C23CCC3)cc1 ZINC001632933148 1194412663 /nfs/dbraw/zinc/41/26/63/1194412663.db2.gz PEFSZLJHLHCCAE-ZWKOTPCHSA-N 0 0 324.424 3.127 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Cc2ccc3c(c2)CCCC3)c1 ZINC001633282435 1194429713 /nfs/dbraw/zinc/42/97/13/1194429713.db2.gz JILABJGSSCFVSL-UHFFFAOYSA-N 0 0 309.409 3.438 20 10 DGCDRN C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCc2cc(O)ccc2O)o1 ZINC001633595294 1194444720 /nfs/dbraw/zinc/44/47/20/1194444720.db2.gz QLGUVAINTJEGEH-NHYWBVRUSA-N 0 0 315.369 3.063 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1cccc(C(F)(F)F)c1 ZINC001633595103 1194444781 /nfs/dbraw/zinc/44/47/81/1194444781.db2.gz IKDWHMSOIKYIPP-UHFFFAOYSA-N 0 0 311.259 3.047 20 10 DGCDRN CC[C@H](C)c1ncc(NC(=O)/C=C/c2ccc(O)c(O)c2)cn1 ZINC001635030335 1194528676 /nfs/dbraw/zinc/52/86/76/1194528676.db2.gz SOJWHXVSXCLDTI-ZRQQLDRUSA-N 0 0 313.357 3.053 20 10 DGCDRN CC[C@@H](C)c1ncc(NC(=O)/C=C/c2ccc(O)c(O)c2)cn1 ZINC001635030333 1194528987 /nfs/dbraw/zinc/52/89/87/1194528987.db2.gz SOJWHXVSXCLDTI-OKPNEXGHSA-N 0 0 313.357 3.053 20 10 DGCDRN C[C@]1(CNC(=O)c2cc3cc(O)c(O)cc3s2)C[C@H]2C[C@H]2C1 ZINC001635077386 1194531206 /nfs/dbraw/zinc/53/12/06/1194531206.db2.gz VWMWSEQAVLSTLG-FTJFQDGESA-N 0 0 317.410 3.479 20 10 DGCDRN Cc1ccc(OCCCC(=O)NCc2c(O)cccc2F)cc1 ZINC001635360388 1194546815 /nfs/dbraw/zinc/54/68/15/1194546815.db2.gz LFODBNAQIAWHQQ-UHFFFAOYSA-N 0 0 317.360 3.315 20 10 DGCDRN Cc1ccc(OCCC(=O)NCc2c(O)cccc2F)cc1C ZINC001635360513 1194547045 /nfs/dbraw/zinc/54/70/45/1194547045.db2.gz NXMACEZWLBZVTQ-UHFFFAOYSA-N 0 0 317.360 3.233 20 10 DGCDRN C[C@@H](NC(=O)[C@H](C)Oc1cccc(F)c1)c1ccccc1O ZINC001635793878 1194572642 /nfs/dbraw/zinc/57/26/42/1194572642.db2.gz MASYXKKCIVSBQB-NEPJUHHUSA-N 0 0 303.333 3.176 20 10 DGCDRN CC(=O)c1c[nH]c(C(=O)NCc2c(O)ccc3ccccc32)c1 ZINC001635964895 1194582342 /nfs/dbraw/zinc/58/23/42/1194582342.db2.gz DAXIQBWYKUYPPE-UHFFFAOYSA-N 0 0 308.337 3.006 20 10 DGCDRN CCCCCC[C@@H](O)CCC(=O)N1Cc2cccc(O)c2C1 ZINC001636230936 1194601152 /nfs/dbraw/zinc/60/11/52/1194601152.db2.gz KQYNRBQMZNCJLV-OAHLLOKOSA-N 0 0 305.418 3.346 20 10 DGCDRN COC[C@H](C)NC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001636717125 1194629560 /nfs/dbraw/zinc/62/95/60/1194629560.db2.gz LIHWGSFETIGHQY-ZDUSSCGKSA-N 0 0 300.402 3.167 20 10 DGCDRN O=C(NCC[C@@H]1C[C@H]1Cc1ccccc1)C1=CC(=O)CS1 ZINC001636797353 1194634970 /nfs/dbraw/zinc/63/49/70/1194634970.db2.gz MVDNFRWVGDWGKQ-ZIAGYGMSSA-N 0 0 301.411 3.452 20 10 DGCDRN C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001636974093 1194642835 /nfs/dbraw/zinc/64/28/35/1194642835.db2.gz QAUZRERZJRHXIV-OCCSQVGLSA-N 0 0 305.418 3.314 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1ccc(C(F)F)cc1F ZINC001637045228 1194647696 /nfs/dbraw/zinc/64/76/96/1194647696.db2.gz AKHRWELQVCXQJW-UHFFFAOYSA-N 0 0 311.259 3.105 20 10 DGCDRN C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1 ZINC001638191063 1194706372 /nfs/dbraw/zinc/70/63/72/1194706372.db2.gz BKIQNINETHCDTD-GFCCVEGCSA-N 0 0 310.357 3.383 20 10 DGCDRN O=C(CSc1ccc(Cl)cc1)NCc1ccc(O)cc1O ZINC001638351737 1194713406 /nfs/dbraw/zinc/71/34/06/1194713406.db2.gz DYPKAZMDPJCMIO-UHFFFAOYSA-N 0 0 323.801 3.160 20 10 DGCDRN Cc1ccc(F)c(C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001638573450 1194724780 /nfs/dbraw/zinc/72/47/80/1194724780.db2.gz YDCJNSONOXEEGL-UHFFFAOYSA-N 0 0 310.328 3.318 20 10 DGCDRN O=C(Nc1ccc(Br)c(O)c1)C1=CC(=O)CS1 ZINC001638628531 1194728963 /nfs/dbraw/zinc/72/89/63/1194728963.db2.gz TYHDRURLFXOSBS-UHFFFAOYSA-N 0 0 314.160 3.174 20 10 DGCDRN C[C@@H](Cc1ccc(F)cc1)C(=O)NCc1c(O)cccc1F ZINC001638862838 1194741303 /nfs/dbraw/zinc/74/13/03/1194741303.db2.gz FCGYCSOEYNWVDS-NSHDSACASA-N 0 0 305.324 3.165 20 10 DGCDRN Cc1cc(C)c(CC(=O)NCc2c(O)cccc2F)c(C)c1 ZINC001638864059 1194741502 /nfs/dbraw/zinc/74/15/02/1194741502.db2.gz SLZKGDJGAKMAHZ-UHFFFAOYSA-N 0 0 301.361 3.315 20 10 DGCDRN CC(C)(C)c1ccc(CC(=O)NCc2c(O)cccc2O)cc1 ZINC001639292560 1194759144 /nfs/dbraw/zinc/75/91/44/1194759144.db2.gz HZOVZBNTVOKYAG-UHFFFAOYSA-N 0 0 313.397 3.254 20 10 DGCDRN COC(=O)c1cnc(Sc2nccs2)c(C(F)(F)F)c1 ZINC001639323131 1194760558 /nfs/dbraw/zinc/76/05/58/1194760558.db2.gz KTCBHFQTDGXVAB-UHFFFAOYSA-N 0 0 320.317 3.495 20 10 DGCDRN O=C(/C=C\C1CCOCC1)NCc1c(O)ccc2ccccc21 ZINC001639384476 1194763001 /nfs/dbraw/zinc/76/30/01/1194763001.db2.gz LQSYKVKYSYCDIY-YVMONPNESA-N 0 0 311.381 3.144 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC001639496215 1194769068 /nfs/dbraw/zinc/76/90/68/1194769068.db2.gz RVFMFGOJOPRTOW-SCAQPMJSSA-N 0 0 322.408 3.435 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1nc2ccc(F)cc2o1 ZINC001639768609 1194780755 /nfs/dbraw/zinc/78/07/55/1194780755.db2.gz JHEMCWSEKRODJW-SECBINFHSA-N 0 0 302.305 3.421 20 10 DGCDRN COc1ccc(/C=C\C(=O)NCc2cccc(Cl)c2O)cc1 ZINC001640405519 1194811484 /nfs/dbraw/zinc/81/14/84/1194811484.db2.gz WBLXXUTUJPFIIF-YFHOEESVSA-N 0 0 317.772 3.384 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CNc2cccc(Cl)c2)c1 ZINC001640796996 1194828048 /nfs/dbraw/zinc/82/80/48/1194828048.db2.gz VETXBLXHAWWHBB-UHFFFAOYSA-N 0 0 304.777 3.082 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cccc3ccc(C)nc32)c1 ZINC001640797161 1194828096 /nfs/dbraw/zinc/82/80/96/1194828096.db2.gz ZJWPUZGEAQFDJS-UHFFFAOYSA-N 0 0 306.365 3.487 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)C2CC(O)(CCC(C)(C)C)C2)c1 ZINC001640796684 1194828117 /nfs/dbraw/zinc/82/81/17/1194828117.db2.gz KXTKPJSBRXGUGH-UHFFFAOYSA-N 0 0 319.445 3.284 20 10 DGCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1C[C@H]2CCCC[C@H]21 ZINC001640826923 1194829512 /nfs/dbraw/zinc/82/95/12/1194829512.db2.gz ZWBKDECGNWGTSJ-MWLCHTKSSA-N 0 0 303.383 3.327 20 10 DGCDRN COC(=O)c1cnc(SCCc2ccc([N+](=O)[O-])cc2)s1 ZINC001641152057 1194841896 /nfs/dbraw/zinc/84/18/96/1194841896.db2.gz PPDWMJCQAGTXNB-UHFFFAOYSA-N 0 0 324.383 3.173 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Cn2ccc3ccc(F)cc32)c1 ZINC001641733403 1194868906 /nfs/dbraw/zinc/86/89/06/1194868906.db2.gz UPRWEPTVSRJZJZ-UHFFFAOYSA-N 0 0 312.344 3.111 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Cc2c(F)cccc2Cl)c1 ZINC001641729401 1194869031 /nfs/dbraw/zinc/86/90/31/1194869031.db2.gz PWJZIXINFCLHTC-UHFFFAOYSA-N 0 0 307.752 3.352 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCc2ccc(Cl)cc21 ZINC001641839496 1194874445 /nfs/dbraw/zinc/87/44/45/1194874445.db2.gz PNFAJALVHDILQC-CQSZACIVSA-N 0 0 317.772 3.097 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1nc2cccc(F)c2o1 ZINC001642559208 1194919258 /nfs/dbraw/zinc/91/92/58/1194919258.db2.gz FKHYCHPYLCOZRL-SECBINFHSA-N 0 0 302.305 3.421 20 10 DGCDRN CCc1cccc(CN(C)c2ccc(OCC(=O)OC)cc2)c1 ZINC001642690096 1194928531 /nfs/dbraw/zinc/92/85/31/1194928531.db2.gz YAXOWEAFYYHQNF-UHFFFAOYSA-N 0 0 313.397 3.437 20 10 DGCDRN O=C(c1cnnc(-c2ccccc2)c1)N1Cc2cccc(O)c2C1 ZINC001643170188 1195000198 /nfs/dbraw/zinc/00/01/98/1195000198.db2.gz YJGZDUOJLDACSL-UHFFFAOYSA-N 0 0 317.348 3.005 20 10 DGCDRN C[C@H]1CN(C(=O)c2cccnc2-c2cnn(C)c2)c2ccccc21 ZINC001643202740 1195003143 /nfs/dbraw/zinc/00/31/43/1195003143.db2.gz POCHIWLFMADFGP-ZDUSSCGKSA-N 0 0 318.380 3.246 20 10 DGCDRN COc1ccc(CN[C@](C)(c2noc(C)n2)C2CC2)cc1C ZINC001643213153 1195005222 /nfs/dbraw/zinc/00/52/22/1195005222.db2.gz RCYIORPIFKWWBG-KRWDZBQOSA-N 0 0 301.390 3.110 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(Br)cn1)c1ccccc1O ZINC001643738471 1195050167 /nfs/dbraw/zinc/05/01/67/1195050167.db2.gz CEFKPVNJFBXDKT-SECBINFHSA-N 0 0 321.174 3.041 20 10 DGCDRN Cc1cccc(C(=O)N[C@@H](C)c2ccccc2O)c1[N+](=O)[O-] ZINC001643741787 1195051399 /nfs/dbraw/zinc/05/13/99/1195051399.db2.gz AECGCLKQFWWQET-NSHDSACASA-N 0 0 300.314 3.100 20 10 DGCDRN CCOC(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2O)cc1 ZINC001643741810 1195051705 /nfs/dbraw/zinc/05/17/05/1195051705.db2.gz AXQGVFGXJFJUHL-GFCCVEGCSA-N 0 0 313.353 3.060 20 10 DGCDRN COc1cc2ccccc2cc1C(=O)NCc1cccc(O)c1O ZINC001643809371 1195055146 /nfs/dbraw/zinc/05/51/46/1195055146.db2.gz LPOITIZSVZJLCK-UHFFFAOYSA-N 0 0 323.348 3.190 20 10 DGCDRN C/C(=C\c1cccc(Cl)c1)C(=O)NCc1cc(O)ccc1O ZINC001643881942 1195060020 /nfs/dbraw/zinc/06/00/20/1195060020.db2.gz LJJGYGUKXPDUHU-YRNVUSSQSA-N 0 0 317.772 3.471 20 10 DGCDRN O=C(CSc1ccccc1Cl)NCc1cc(O)ccc1O ZINC001643879172 1195060096 /nfs/dbraw/zinc/06/00/96/1195060096.db2.gz DFJVOZZCUNLFTR-UHFFFAOYSA-N 0 0 323.801 3.160 20 10 DGCDRN CC(C)Nc1cccc(F)c1NC(=O)Cc1ccc(O)c(O)c1 ZINC001643943359 1195066246 /nfs/dbraw/zinc/06/62/46/1195066246.db2.gz UQIXOXLTMLRLHT-UHFFFAOYSA-N 0 0 318.348 3.238 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC001644843739 1195137886 /nfs/dbraw/zinc/13/78/86/1195137886.db2.gz FVJOFNPVBPTDLE-CALCHBBNSA-N 0 0 324.424 3.121 20 10 DGCDRN CCN(CCOC(=O)Cc1ccccc1)c1ccc(OC)cc1 ZINC001644855463 1195139181 /nfs/dbraw/zinc/13/91/81/1195139181.db2.gz CISORTBQQNYXLN-UHFFFAOYSA-N 0 0 313.397 3.307 20 10 DGCDRN CN(C[C@@H]1CCCC12CCOCC2)c1ccc2c(c1)OCO2 ZINC001644960457 1195146692 /nfs/dbraw/zinc/14/66/92/1195146692.db2.gz OEVIJUUXNLLHKC-AWEZNQCLSA-N 0 0 303.402 3.448 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1ccc(F)c2cccnc12 ZINC001645050748 1195153483 /nfs/dbraw/zinc/15/34/83/1195153483.db2.gz PUOAZLUPDKOSNG-UHFFFAOYSA-N 0 0 314.291 3.149 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2CC[C@H](O)c1ccccc1 ZINC001645147215 1195160653 /nfs/dbraw/zinc/16/06/53/1195160653.db2.gz BVTYVVLCCHJBAD-SFHVURJKSA-N 0 0 312.413 3.075 20 10 DGCDRN Cc1cc(C)c(/C=C\C(=O)NCc2c(O)cccc2O)cc1C ZINC001645363133 1195177910 /nfs/dbraw/zinc/17/79/10/1195177910.db2.gz NLANJUSANIDQSU-FPLPWBNLSA-N 0 0 311.381 3.353 20 10 DGCDRN CCc1c2ccccc2oc1C(=O)NCc1c(O)cccc1O ZINC001647291315 1195247265 /nfs/dbraw/zinc/24/72/65/1195247265.db2.gz WWGCNZDHNOCIFX-UHFFFAOYSA-N 0 0 311.337 3.336 20 10 DGCDRN O=C(/C=C/Sc1ccccc1)NCc1c(O)cccc1O ZINC001647289410 1195247432 /nfs/dbraw/zinc/24/74/32/1195247432.db2.gz CJUOGLOWWYDJRP-MDZDMXLPSA-N 0 0 301.367 3.020 20 10 DGCDRN O=C(/C=C\Sc1ccccc1)NCc1c(O)cccc1O ZINC001647289409 1195247467 /nfs/dbraw/zinc/24/74/67/1195247467.db2.gz CJUOGLOWWYDJRP-KTKRTIGZSA-N 0 0 301.367 3.020 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cccc2c1OCO2 ZINC001647789061 1195253365 /nfs/dbraw/zinc/25/33/65/1195253365.db2.gz ZSGHQVAQDMVFJT-UHFFFAOYSA-N 0 0 321.332 3.204 20 10 DGCDRN COc1nc(C)ccc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001647791059 1195253545 /nfs/dbraw/zinc/25/35/45/1195253545.db2.gz IFSFNRWQMWRDKN-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN C[C@H](C(=O)NCc1cccc(Cl)c1O)c1cccc(O)c1 ZINC001647830420 1195257077 /nfs/dbraw/zinc/25/70/77/1195257077.db2.gz VXHYHFZUWJBJQA-JTQLQIEISA-N 0 0 305.761 3.171 20 10 DGCDRN CCO[C@@H](C(=O)NCc1cccc(Cl)c1O)c1ccccc1 ZINC001648606544 1195313198 /nfs/dbraw/zinc/31/31/98/1195313198.db2.gz SCROJXFURBTVQD-MRXNPFEDSA-N 0 0 319.788 3.440 20 10 DGCDRN C[C@H]1Cc2cc(C(=O)NCc3cccc(Cl)c3O)ccc2O1 ZINC001648609161 1195313311 /nfs/dbraw/zinc/31/33/11/1195313311.db2.gz SEQOGKHCEOHRBI-JTQLQIEISA-N 0 0 317.772 3.299 20 10 DGCDRN Cc1cc(CNC(=O)c2nonc2C)c(C)n1-c1cccc(C)c1 ZINC001648611949 1195314494 /nfs/dbraw/zinc/31/44/94/1195314494.db2.gz RWAHWLPTLVAWHD-UHFFFAOYSA-N 0 0 324.384 3.024 20 10 DGCDRN CC[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])N1CCCC1 ZINC001648775587 1195330429 /nfs/dbraw/zinc/33/04/29/1195330429.db2.gz RXLVODXHHIWLOI-ZDUSSCGKSA-N 0 0 300.805 3.149 20 10 DGCDRN CC(C)C[C@H](NCc1ccc2c(c1)CCO2)C(=O)OC(C)(C)C ZINC001650872822 1195390938 /nfs/dbraw/zinc/39/09/38/1195390938.db2.gz SDGRSFHOJVTNRY-INIZCTEOSA-N 0 0 319.445 3.468 20 10 DGCDRN CCn1c(=O)c2cc(F)ccc2nc1Sc1nccs1 ZINC001650883556 1195391643 /nfs/dbraw/zinc/39/16/43/1195391643.db2.gz OSPNFFTWWRYAAQ-UHFFFAOYSA-N 0 0 307.375 3.163 20 10 DGCDRN O=C(Cc1cccc2ccccc21)NCc1cc(O)ccc1O ZINC001651222252 1195428028 /nfs/dbraw/zinc/42/80/28/1195428028.db2.gz CRQRSJYTPDTKLS-UHFFFAOYSA-N 0 0 307.349 3.110 20 10 DGCDRN C[C@H](CN1CCC(C)CC1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001651326122 1195444359 /nfs/dbraw/zinc/44/43/59/1195444359.db2.gz XIPFGZJFJFJFIE-GFCCVEGCSA-N 0 0 314.832 3.395 20 10 DGCDRN CCC(=O)c1ccc(NCc2cc(O)ccc2O)c([N+](=O)[O-])c1 ZINC001651380787 1195452690 /nfs/dbraw/zinc/45/26/90/1195452690.db2.gz KEXZFIYUCZYGSC-UHFFFAOYSA-N 0 0 316.313 3.211 20 10 DGCDRN NC(=O)c1ccc(NCc2cc(Cl)cc(F)c2O)cc1F ZINC001651489755 1195470038 /nfs/dbraw/zinc/47/00/38/1195470038.db2.gz FYSYKDJXMQCLGK-UHFFFAOYSA-N 0 0 312.703 3.035 20 10 DGCDRN CCCN(Cc1n[nH]cc1Br)Cc1ccccc1O ZINC001651929480 1195525457 /nfs/dbraw/zinc/52/54/57/1195525457.db2.gz MKPAEAXKZFUYFT-UHFFFAOYSA-N 0 0 324.222 3.290 20 10 DGCDRN COC(=O)CC1([NH2+]Cc2cc(F)c(F)cc2[O-])CCCCC1 ZINC001652031564 1195538885 /nfs/dbraw/zinc/53/88/85/1195538885.db2.gz DPRHJFIEYXPNNK-UHFFFAOYSA-N 0 0 313.344 3.026 20 10 DGCDRN COc1ccc(-c2nccc(N[C@H](C)c3ccccc3O)n2)cc1 ZINC001652138121 1195552751 /nfs/dbraw/zinc/55/27/51/1195552751.db2.gz ZBZAWRKPYGKCJT-CYBMUJFWSA-N 0 0 321.380 3.453 20 10 DGCDRN Cc1occ(C(F)(F)F)c1C(=O)NCc1c(O)cccc1F ZINC001652298859 1195578036 /nfs/dbraw/zinc/57/80/36/1195578036.db2.gz RCPAXZHRLYIQFD-UHFFFAOYSA-N 0 0 317.238 3.382 20 10 DGCDRN C[C@@H](CC(=O)NCc1c(O)ccc2ccccc21)[C@@H]1CCCO1 ZINC001652709056 1195639290 /nfs/dbraw/zinc/63/92/90/1195639290.db2.gz TZRJJHWNDAHEEA-UGSOOPFHSA-N 0 0 313.397 3.367 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]Cc1nc2c(s1)CCCC2 ZINC001653078446 1195686750 /nfs/dbraw/zinc/68/67/50/1195686750.db2.gz AQMULFRBRAGGCZ-UHFFFAOYSA-N 0 0 310.369 3.296 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccc([N+](=O)[O-])cc1 ZINC001653094709 1195687531 /nfs/dbraw/zinc/68/75/31/1195687531.db2.gz WYEZBVXEQOILRD-SECBINFHSA-N 0 0 308.284 3.429 20 10 DGCDRN COC(=O)c1ccccc1CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC001653151783 1195692770 /nfs/dbraw/zinc/69/27/70/1195692770.db2.gz AYCKUEGNIRYTSK-UHFFFAOYSA-N 0 0 319.788 3.165 20 10 DGCDRN COC(=O)c1cccc(C[N@H+](C)Cc2ccccc2O)c1Cl ZINC001653611507 1195738504 /nfs/dbraw/zinc/73/85/04/1195738504.db2.gz HVUXTBOVVSOVMC-UHFFFAOYSA-N 0 0 319.788 3.464 20 10 DGCDRN CCOC(=O)[C@@H](CC)N(Cc1ccc(N(C)C)c(C)c1)C1CC1 ZINC001654203711 1195784271 /nfs/dbraw/zinc/78/42/71/1195784271.db2.gz MGZDEQVTNBYYIY-QGZVFWFLSA-N 0 0 318.461 3.367 20 10 DGCDRN CC[C@H](Cc1ccc(F)cc1)NC(=O)c1c(F)ccc(O)c1O ZINC001654717214 1195832578 /nfs/dbraw/zinc/83/25/78/1195832578.db2.gz WVZRXGCNIAEQGX-GFCCVEGCSA-N 0 0 321.323 3.127 20 10 DGCDRN Cc1cccc2c1CCC[C@H]2NC(=O)c1c(F)ccc(O)c1O ZINC001654747701 1195834938 /nfs/dbraw/zinc/83/49/38/1195834938.db2.gz RCVHIZYNEFVUPT-CQSZACIVSA-N 0 0 315.344 3.353 20 10 DGCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1cnsn1 ZINC001654793131 1195841640 /nfs/dbraw/zinc/84/16/40/1195841640.db2.gz CAOJYCVOPQTIJW-ZDUSSCGKSA-N 0 0 303.431 3.382 20 10 DGCDRN COc1ccc(CNCc2nnc(-c3ccccc3)[nH]2)cc1C ZINC001655611365 1195940386 /nfs/dbraw/zinc/94/03/86/1195940386.db2.gz HALNBAGBKOQQRU-UHFFFAOYSA-N 0 0 308.385 3.079 20 10 DGCDRN CCO[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C12CCCC2 ZINC001655737096 1195958117 /nfs/dbraw/zinc/95/81/17/1195958117.db2.gz ADJFTCYOPKCLNC-GJZGRUSLSA-N 0 0 311.372 3.498 20 10 DGCDRN Cc1ccsc1[C@@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001655750688 1195959743 /nfs/dbraw/zinc/95/97/43/1195959743.db2.gz CKECBFGTLZNVKZ-GFCCVEGCSA-N 0 0 315.797 3.378 20 10 DGCDRN Cc1ccsc1[C@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001655750689 1195960255 /nfs/dbraw/zinc/96/02/55/1195960255.db2.gz CKECBFGTLZNVKZ-LBPRGKRZSA-N 0 0 315.797 3.378 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCOc1ccc(F)cc1 ZINC001656037187 1195990236 /nfs/dbraw/zinc/99/02/36/1195990236.db2.gz PXQAHUFHEZRESD-UHFFFAOYSA-N 0 0 313.731 3.492 20 10 DGCDRN COC(=O)N(C)c1ccc(NCc2cc(F)cc(F)c2O)cc1 ZINC001656205220 1196017364 /nfs/dbraw/zinc/01/73/64/1196017364.db2.gz OPHKNHMHRGBWMQ-UHFFFAOYSA-N 0 0 322.311 3.485 20 10 DGCDRN CSc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2O)cc1 ZINC001656458346 1196042214 /nfs/dbraw/zinc/04/22/14/1196042214.db2.gz VOCQFFPMZNFMHY-LLVKDONJSA-N 0 0 323.439 3.154 20 10 DGCDRN COc1cc(NCc2c(O)cc(C)cc2Cl)cnc1OC ZINC001656647782 1196056961 /nfs/dbraw/zinc/05/69/61/1196056961.db2.gz VKJGNUXMORBHHE-UHFFFAOYSA-N 0 0 308.765 3.378 20 10 DGCDRN CC(C)[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1cccnc1 ZINC001656677306 1196060873 /nfs/dbraw/zinc/06/08/73/1196060873.db2.gz XWOKLZIDIYOQRZ-MRXNPFEDSA-N 0 0 315.373 3.225 20 10 DGCDRN Cc1cc(O)c(CNc2ccc3c(c2)OCC(=O)N3)c(Cl)c1 ZINC001656871841 1196077345 /nfs/dbraw/zinc/07/73/45/1196077345.db2.gz NZKQXXCSMIXSJT-UHFFFAOYSA-N 0 0 318.760 3.297 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccc([N+](=O)[O-])cc1 ZINC001656956516 1196087177 /nfs/dbraw/zinc/08/71/77/1196087177.db2.gz QPYQDQUJVPPKIZ-SECBINFHSA-N 0 0 308.284 3.429 20 10 DGCDRN Cc1c(NCc2cc(C)cc(Br)c2O)cnn1C ZINC001657030053 1196094414 /nfs/dbraw/zinc/09/44/14/1196094414.db2.gz PIAJELAHCAQYOU-UHFFFAOYSA-N 0 0 310.195 3.117 20 10 DGCDRN CN(C)c1ccc(CNc2cccc(N(C)C(N)=O)c2)cc1F ZINC001657294567 1196128238 /nfs/dbraw/zinc/12/82/38/1196128238.db2.gz FUWXTCKJAAVOTG-UHFFFAOYSA-N 0 0 316.380 3.019 20 10 DGCDRN CCOCc1cc(CN[C@@H](CC)c2noc(C)n2)ccc1OC ZINC001657376109 1196134912 /nfs/dbraw/zinc/13/49/12/1196134912.db2.gz CUCVUPQUIZZHMP-HNNXBMFYSA-N 0 0 319.405 3.164 20 10 DGCDRN CCOC(=O)/C=C/CN1CCCc2cc(OC(F)F)ccc21 ZINC001657590337 1196157691 /nfs/dbraw/zinc/15/76/91/1196157691.db2.gz SYYMZVHFJXAPDO-GQCTYLIASA-N 0 0 311.328 3.160 20 10 DGCDRN COc1cc2c(cc1NCc1cccc(F)c1O)NC(=O)CC2 ZINC001657678172 1196168736 /nfs/dbraw/zinc/16/87/36/1196168736.db2.gz RMBCFFGMQKKYIK-UHFFFAOYSA-N 0 0 316.332 3.037 20 10 DGCDRN COC(=O)[C@@H]1C[C@H](C)CCN1C/C=C/c1ccc(N(C)C)cc1 ZINC001657859370 1196186906 /nfs/dbraw/zinc/18/69/06/1196186906.db2.gz ASGUKLQPTBOAAT-IJVDXJMESA-N 0 0 316.445 3.039 20 10 DGCDRN CN(C)c1ccc(/C=C\CNc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC001658080326 1196210057 /nfs/dbraw/zinc/21/00/57/1196210057.db2.gz MDWAXVJCGOVDMG-ARJAWSKDSA-N 0 0 308.385 3.460 20 10 DGCDRN COc1c(O)c(CNc2cncc(Cl)c2C)ccc1[N+](=O)[O-] ZINC001658217657 1196226182 /nfs/dbraw/zinc/22/61/82/1196226182.db2.gz MTVIJOAPSPEOFB-UHFFFAOYSA-N 0 0 323.736 3.278 20 10 DGCDRN C[C@H](CN1CCC(C)CC1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001658281576 1196234878 /nfs/dbraw/zinc/23/48/78/1196234878.db2.gz PUFIEAGXNFFBAJ-GFCCVEGCSA-N 0 0 314.832 3.395 20 10 DGCDRN COc1cc(C)c(C[N@H+](C)[C@@H]2C[C@](C)(OC)C2(C)C)c(O)c1 ZINC001658294269 1196236358 /nfs/dbraw/zinc/23/63/58/1196236358.db2.gz QKDCRKTVZFUUMH-AEFFLSMTSA-N 0 0 307.434 3.345 20 10 DGCDRN COc1c([O-])c(C[NH2+]C[C@H]2CC3CCC2CC3)ccc1[N+](=O)[O-] ZINC001658414585 1196252569 /nfs/dbraw/zinc/25/25/69/1196252569.db2.gz MVSWJJUMLGSAPZ-ORHYLEIMSA-N 0 0 320.389 3.225 20 10 DGCDRN CC(C)[C@H]([NH2+]Cc1cc(F)c(F)cc1[O-])C1(CO)CC=CC1 ZINC001658410843 1196253104 /nfs/dbraw/zinc/25/31/04/1196253104.db2.gz LQTLBJQDRJBATH-INIZCTEOSA-N 0 0 311.372 3.113 20 10 DGCDRN Cc1cc(O)c(CNc2ccc3c(c2)nnn3C)cc1Cl ZINC001658418700 1196253991 /nfs/dbraw/zinc/25/39/91/1196253991.db2.gz PFCJKGFSMXMDLO-UHFFFAOYSA-N 0 0 302.765 3.248 20 10 DGCDRN Oc1cc(F)c(F)cc1CN1CCOc2cc(F)ccc2C1 ZINC001658660434 1196285130 /nfs/dbraw/zinc/28/51/30/1196285130.db2.gz JMRNXSIZQRVJON-UHFFFAOYSA-N 0 0 309.287 3.204 20 10 DGCDRN CCCN(CC(=O)OC(C)(C)C)Cc1c(C)cc(OC)cc1O ZINC001658775178 1196299293 /nfs/dbraw/zinc/29/92/93/1196299293.db2.gz ZBCDMKDSMGTLML-UHFFFAOYSA-N 0 0 323.433 3.263 20 10 DGCDRN CN(C)c1ccc(CN(CCCO)c2ccc(F)c(F)c2)cc1 ZINC001658902974 1196317412 /nfs/dbraw/zinc/31/74/12/1196317412.db2.gz YYWGNWYODIVLHF-UHFFFAOYSA-N 0 0 320.383 3.420 20 10 DGCDRN Oc1cc(F)c(F)cc1CN1CCO[C@H](c2ccccc2F)C1 ZINC001658973086 1196327178 /nfs/dbraw/zinc/32/71/78/1196327178.db2.gz ZMGSQRSYIWSPTI-KRWDZBQOSA-N 0 0 323.314 3.383 20 10 DGCDRN COC[C@H](CN1CCCc2cc(OC)cc(OC)c21)C(C)C ZINC001659017257 1196331924 /nfs/dbraw/zinc/33/19/24/1196331924.db2.gz WNRSQXURLMBLHM-HNNXBMFYSA-N 0 0 307.434 3.375 20 10 DGCDRN CN(C)C(=O)c1ccccc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC001659077324 1196342059 /nfs/dbraw/zinc/34/20/59/1196342059.db2.gz NCVXAHRTWGCCEC-UHFFFAOYSA-N 0 0 318.804 3.037 20 10 DGCDRN C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1cccc(F)c1[O-] ZINC001659483783 1196387723 /nfs/dbraw/zinc/38/77/23/1196387723.db2.gz MULRTKCFTAWZKS-JSGCOSHPSA-N 0 0 323.408 3.474 20 10 DGCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@@]1(OC)CCOC1 ZINC001659493167 1196388751 /nfs/dbraw/zinc/38/87/51/1196388751.db2.gz YTXORUSYTOOXSE-APWZRJJASA-N 0 0 319.445 3.135 20 10 DGCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@]1(OC)CCOC1 ZINC001659493170 1196389133 /nfs/dbraw/zinc/38/91/33/1196389133.db2.gz YTXORUSYTOOXSE-VQIMIIECSA-N 0 0 319.445 3.135 20 10 DGCDRN O=C1CC[C@H](c2cccc(NCc3cc(F)ccc3O)c2)N1 ZINC001660041605 1196440057 /nfs/dbraw/zinc/44/00/57/1196440057.db2.gz NIVCALGWMZIFQB-OAHLLOKOSA-N 0 0 300.333 3.095 20 10 DGCDRN CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3cc(F)c(F)cc3[O-])C2)n1 ZINC001660801093 1196526632 /nfs/dbraw/zinc/52/66/32/1196526632.db2.gz ZUCNHUQSHDXQKY-GXSJLCMTSA-N 0 0 323.343 3.042 20 10 DGCDRN C[C@@H]1CCC[C@](C[NH2+]Cc2cc(F)cc(F)c2[O-])(N(C)C)C1 ZINC001661084463 1196563301 /nfs/dbraw/zinc/56/33/01/1196563301.db2.gz WDHRJTIBOUDSGC-PXAZEXFGSA-N 0 0 312.404 3.271 20 10 DGCDRN CCN(CC)c1ccc(CNS(=O)(=O)CCCC2CC2)cc1 ZINC001661476936 1196609878 /nfs/dbraw/zinc/60/98/78/1196609878.db2.gz RDWJGFXLHFNUOW-UHFFFAOYSA-N 0 0 324.490 3.142 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CCc2ccccc2OC1 ZINC001662304546 1196705233 /nfs/dbraw/zinc/70/52/33/1196705233.db2.gz RLKXFYOTQRJCLD-AWEZNQCLSA-N 0 0 305.324 3.154 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC001662492259 1196725298 /nfs/dbraw/zinc/72/52/98/1196725298.db2.gz MALRZSYLVVYQBL-UHFFFAOYSA-N 0 0 318.245 3.374 20 10 DGCDRN CN(C)c1cc(F)c(CNc2cnn3ccccc23)cc1F ZINC001662969359 1196778028 /nfs/dbraw/zinc/77/80/28/1196778028.db2.gz CVIOKQQSPWARIP-UHFFFAOYSA-N 0 0 302.328 3.291 20 10 DGCDRN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC001663302505 1196830130 /nfs/dbraw/zinc/83/01/30/1196830130.db2.gz RHXVKNRCSPSLOW-DRYIUFOISA-N 0 0 314.198 3.428 20 10 DGCDRN Cc1cccn2c(NC(=O)N[C@@H](C)c3ccccc3O)cnc12 ZINC001663389908 1196855803 /nfs/dbraw/zinc/85/58/03/1196855803.db2.gz LVXPOAZJOKIWAJ-LBPRGKRZSA-N 0 0 310.357 3.231 20 10 DGCDRN CCOc1cccc(NC(=O)NCc2cccc(Cl)c2O)n1 ZINC001663402618 1196858022 /nfs/dbraw/zinc/85/80/22/1196858022.db2.gz ISWALGBCMFPXNY-UHFFFAOYSA-N 0 0 321.764 3.161 20 10 DGCDRN Cc1ccc(S(=O)(=O)N2Cc3cccc(O)c3C2)cc1Cl ZINC001663793148 1196945605 /nfs/dbraw/zinc/94/56/05/1196945605.db2.gz WLUAZLUWYKUTIX-UHFFFAOYSA-N 0 0 323.801 3.059 20 10 DGCDRN CCOC(=O)[C@@H](NC/C=C/c1ccc(N(C)C)cc1)C(C)(C)C ZINC001664195247 1196979192 /nfs/dbraw/zinc/97/91/92/1196979192.db2.gz ZJQQRXWSVISHAO-KBOKABMXSA-N 0 0 318.461 3.333 20 10 DGCDRN C[C@@H](NC(=O)Nc1cc(F)ccc1N(C)C)c1ccccc1O ZINC001664535926 1197010697 /nfs/dbraw/zinc/01/06/97/1197010697.db2.gz CTMFKFQNEAXCRO-LLVKDONJSA-N 0 0 317.364 3.480 20 10 DGCDRN Cc1noc([C@@H]2CCCCN2Cc2cc(F)c(F)cc2O)n1 ZINC001664664792 1197029943 /nfs/dbraw/zinc/02/99/43/1197029943.db2.gz ZNANIOQDZHVUEK-ZDUSSCGKSA-N 0 0 309.316 3.089 20 10 DGCDRN Cc1cc(O)c(CN2Cc3ccccc3NC(=O)C2)cc1Cl ZINC001665097007 1197097255 /nfs/dbraw/zinc/09/72/55/1197097255.db2.gz GSVNLYWWSGOJDS-UHFFFAOYSA-N 0 0 316.788 3.308 20 10 DGCDRN Oc1ccc(F)cc1CN1CC(O)(c2cccc3ccccc32)C1 ZINC001665118779 1197098978 /nfs/dbraw/zinc/09/89/78/1197098978.db2.gz YNSAKVCDLAILBN-UHFFFAOYSA-N 0 0 323.367 3.388 20 10 DGCDRN COc1cccc(NC(=O)NCc2cc(Cl)ccc2O)c1 ZINC001665710848 1197179994 /nfs/dbraw/zinc/17/99/94/1197179994.db2.gz IZMHPAUGNAZMOS-UHFFFAOYSA-N 0 0 306.749 3.376 20 10 DGCDRN CN(C)c1ccc(NC(=O)NCc2cccc(Cl)c2O)cc1 ZINC001667099245 1197317804 /nfs/dbraw/zinc/31/78/04/1197317804.db2.gz QKOMWBSAAZWJMP-UHFFFAOYSA-N 0 0 319.792 3.433 20 10 DGCDRN COC(=O)c1csc(NC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001669415401 1197453869 /nfs/dbraw/zinc/45/38/69/1197453869.db2.gz RUCDXVXHABLQQQ-VIFPVBQESA-N 0 0 320.370 3.123 20 10 DGCDRN Cc1cc(NC(=O)N[C@H](C)c2ccccc2O)ccc1[N+](=O)[O-] ZINC001670304249 1197531151 /nfs/dbraw/zinc/53/11/51/1197531151.db2.gz PZCRTRZKFOHGBH-LLVKDONJSA-N 0 0 315.329 3.492 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2cc(F)cc(N(C)C)c2)c1 ZINC001671496407 1197542710 /nfs/dbraw/zinc/54/27/10/1197542710.db2.gz YETCJWGQDXOUIY-UHFFFAOYSA-N 0 0 317.364 3.227 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC[C@H](C)C1 ZINC001673738103 1197688153 /nfs/dbraw/zinc/68/81/53/1197688153.db2.gz UYHINURUDMNYPD-HOCLYGCPSA-N 0 0 317.477 3.434 20 10 DGCDRN CC[C@@H](NC(=O)NCc1cc(Cl)ccc1O)C(F)(F)F ZINC001673858004 1197698053 /nfs/dbraw/zinc/69/80/53/1197698053.db2.gz ODYAFPWMLWDHSW-SNVBAGLBSA-N 0 0 310.703 3.186 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2cnc(F)c(Cl)c2)cc1 ZINC001674591166 1197799388 /nfs/dbraw/zinc/79/93/88/1197799388.db2.gz FADXEGANFFIZCK-UHFFFAOYSA-N 0 0 322.771 3.262 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CCCC[C@@H]1F ZINC001674972436 1197939528 /nfs/dbraw/zinc/93/95/28/1197939528.db2.gz GQCIMADMJQWGNK-JKSUJKDBSA-N 0 0 320.408 3.351 20 10 DGCDRN COc1ccc(CNC(=O)N[C@H](C)c2ccccc2O)cc1F ZINC001675157335 1197996410 /nfs/dbraw/zinc/99/64/10/1197996410.db2.gz SXYSBYWJCSWNIH-LLVKDONJSA-N 0 0 318.348 3.100 20 10 DGCDRN COC(=O)c1csc(NC(=O)N[C@H](C)c2ccccc2O)c1 ZINC001675443553 1198067903 /nfs/dbraw/zinc/06/79/03/1198067903.db2.gz RUCDXVXHABLQQQ-SECBINFHSA-N 0 0 320.370 3.123 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@]12C[C@H]1CCCC2 ZINC001677377125 1198525889 /nfs/dbraw/zinc/52/58/89/1198525889.db2.gz BJBSMCHHNJWIHE-APWZRJJASA-N 0 0 315.461 3.441 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N[C@@H]3C[C@@H]4CCC[C@@H]34)ccc21 ZINC001677846860 1198594066 /nfs/dbraw/zinc/59/40/66/1198594066.db2.gz APRAFOHKLKVPBF-USXIJHARSA-N 0 0 313.445 3.057 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N[C@@H]3C[C@H]4CCC[C@@H]43)ccc21 ZINC001677846859 1198594467 /nfs/dbraw/zinc/59/44/67/1198594467.db2.gz APRAFOHKLKVPBF-HYVNUMGLSA-N 0 0 313.445 3.057 20 10 DGCDRN CC(C)O[C@H]1C[C@@H](NC(=O)N2Cc3cccc(O)c3C2)C1(C)C ZINC001679868366 1198831991 /nfs/dbraw/zinc/83/19/91/1198831991.db2.gz DFVUNXFJYWXEEE-CVEARBPZSA-N 0 0 318.417 3.010 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C)c1ccc(N(C)C)cc1 ZINC001680281301 1198870890 /nfs/dbraw/zinc/87/08/90/1198870890.db2.gz YHAZRISTAVLPAM-CJQITXGSSA-N 0 0 301.434 3.157 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2cc(F)ccc2N(C)C)c1 ZINC001680353518 1198875166 /nfs/dbraw/zinc/87/51/66/1198875166.db2.gz CNDMVITZBUMVFK-UHFFFAOYSA-N 0 0 317.364 3.227 20 10 DGCDRN CC(C)O[C@@H]1C[C@H](NC(=O)N[C@H](C)c2ccccc2O)C1(C)C ZINC001681359722 1198991920 /nfs/dbraw/zinc/99/19/20/1198991920.db2.gz SRCZIGICWKOSAW-UHOFOFEASA-N 0 0 320.433 3.345 20 10 DGCDRN C[C@H](NC(=O)NCCC1CC=CC1)c1ccc(N(C)C)cc1 ZINC001681552243 1199035239 /nfs/dbraw/zinc/03/52/39/1199035239.db2.gz MTAUZFAKMFCXNH-AWEZNQCLSA-N 0 0 301.434 3.469 20 10 DGCDRN Cc1cc(C)c(CNC(=O)NCc2c(O)cccc2F)c(C)c1 ZINC001683252277 1199250852 /nfs/dbraw/zinc/25/08/52/1199250852.db2.gz WVVIVUYWGNZQLG-UHFFFAOYSA-N 0 0 316.376 3.456 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC/C=C\C2CC2)cc1F ZINC001684265012 1199367746 /nfs/dbraw/zinc/36/77/46/1199367746.db2.gz MDVCHAHOVBAYPP-WAYWQWQTSA-N 0 0 319.424 3.437 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC/C=C/C2CC2)cc1F ZINC001684265011 1199367892 /nfs/dbraw/zinc/36/78/92/1199367892.db2.gz MDVCHAHOVBAYPP-AATRIKPKSA-N 0 0 319.424 3.437 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC001684670512 1199404751 /nfs/dbraw/zinc/40/47/51/1199404751.db2.gz WFYAHUDBVWREGF-JLJPHGGASA-N 0 0 314.429 3.259 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCc2ccc3ncccc3c2)c1 ZINC001686372262 1199557540 /nfs/dbraw/zinc/55/75/40/1199557540.db2.gz DVJZQPGXTITBHT-UHFFFAOYSA-N 0 0 321.380 3.248 20 10 DGCDRN CCOc1ccccc1NC[C@@H](O)COc1ccc(C)cc1 ZINC000314608758 1199792010 /nfs/dbraw/zinc/79/20/10/1199792010.db2.gz UPAGBKVYQLKZDM-OAHLLOKOSA-N 0 0 301.386 3.246 20 10 DGCDRN CSCCCCn1c(C)nnc1N(C)Cc1ccccc1O ZINC001771465087 1199852389 /nfs/dbraw/zinc/85/23/89/1199852389.db2.gz UNEXPEMDHXIUTA-UHFFFAOYSA-N 0 0 320.462 3.072 20 10 DGCDRN CCc1nnc(N(C)Cc2ccccc2O)n1CC1CCCC1 ZINC001709038437 1202588279 /nfs/dbraw/zinc/58/82/79/1202588279.db2.gz IMMKCUQKNGLQHI-UHFFFAOYSA-N 0 0 314.433 3.373 20 10 DGCDRN CC1(C)CN(C(=O)NCCCSc2nccs2)C1(C)C ZINC000154638337 1202597694 /nfs/dbraw/zinc/59/76/94/1202597694.db2.gz AXMHMRLHZVURAX-UHFFFAOYSA-N 0 0 313.492 3.455 20 10 DGCDRN Nc1ccc(CNC(=O)c2c(F)cccc2Br)cc1 ZINC000160700591 1202639607 /nfs/dbraw/zinc/63/96/07/1202639607.db2.gz CCTSLJUSUWZTJM-UHFFFAOYSA-N 0 0 323.165 3.100 20 10 DGCDRN O=C([O-])[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ccccc21 ZINC001594903445 954653269 /nfs/dbraw/zinc/65/32/69/954653269.db2.gz UXRCJQSUVXWFHV-IAGOWNOFSA-N 0 0 309.365 3.024 20 10 DGCDRN Cc1cc(C[N@@H+]2CCC[C@]2(C)C(=O)[O-])ccc1N1CCCCC1 ZINC001594302653 957923204 /nfs/dbraw/zinc/92/32/04/957923204.db2.gz BRXBHEKVRHWWKD-LJQANCHMSA-N 0 0 316.445 3.424 20 10 DGCDRN COc1cc(C[N@H+](CC(=O)[O-])C2CCC2)c(O)c(C(C)(C)C)c1 ZINC001594055783 958034198 /nfs/dbraw/zinc/03/41/98/958034198.db2.gz BCMCMDYCQLOTKQ-UHFFFAOYSA-N 0 0 321.417 3.137 20 10 DGCDRN Cc1cc(O)c(C[N@@H+]2CCC[C@H](CCC(=O)[O-])C2)c(Cl)c1 ZINC001594327276 958185038 /nfs/dbraw/zinc/18/50/38/958185038.db2.gz VQXRLPHBMAXIIE-GFCCVEGCSA-N 0 0 311.809 3.431 20 10 DGCDRN O=C([O-])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001345098873 962225657 /nfs/dbraw/zinc/22/56/57/962225657.db2.gz CTQCGFIMFZFTLW-LJQANCHMSA-N 0 0 324.424 3.072 20 10 DGCDRN CC(C)O[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)C1(C)C ZINC001591695729 975524388 /nfs/dbraw/zinc/52/43/88/975524388.db2.gz JNQOHXGHWZNAHJ-XFBWCDHKSA-N 0 0 321.417 3.333 20 10 DGCDRN C[C@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)Oc1ccccc1 ZINC001592704997 979166478 /nfs/dbraw/zinc/16/64/78/979166478.db2.gz BZNJGBPRIOZUCO-OLZOCXBDSA-N 0 0 315.369 3.209 20 10 DGCDRN CC[C@]([NH2+]Cc1cc(F)ccc1O)(C(=O)[O-])c1ccccc1 ZINC001595299335 980426614 /nfs/dbraw/zinc/42/66/14/980426614.db2.gz PVRRJGRGAKCSDW-QGZVFWFLSA-N 0 0 303.333 3.011 20 10 DGCDRN CCC[C@](C)([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)C(=O)[O-] ZINC001595559237 981440222 /nfs/dbraw/zinc/44/02/22/981440222.db2.gz FXCNSOHBLFAXPO-SFHVURJKSA-N 0 0 323.433 3.431 20 10 DGCDRN CCN(CC)c1ccc(C[N@H+](C)Cc2ccoc2C(=O)[O-])cc1 ZINC001596289803 983710206 /nfs/dbraw/zinc/71/02/06/983710206.db2.gz OUHDKGWMASEJCZ-UHFFFAOYSA-N 0 0 316.401 3.456 20 10 DGCDRN CC[N@H+](Cc1ccoc1C(=O)[O-])Cc1ccc(N(C)C)cc1 ZINC001596364909 983854922 /nfs/dbraw/zinc/85/49/22/983854922.db2.gz NFVDRUFKDKSLBQ-UHFFFAOYSA-N 0 0 302.374 3.066 20 10 DGCDRN C/C(=C/C(=O)[O-])C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC001588946567 984658064 /nfs/dbraw/zinc/65/80/64/984658064.db2.gz TVUIKZXCMGMAGD-LCYFTJDESA-N 0 0 301.342 3.018 20 10 DGCDRN C[C@H]1[C@@H](C)[N@@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C[C@H]1C ZINC001594536401 986152491 /nfs/dbraw/zinc/15/24/91/986152491.db2.gz QGECZEJZVOMTBD-IJLUTSLNSA-N 0 0 318.392 3.492 20 10 DGCDRN CN(C)c1ccc(/C=C/C[NH2+]Cc2cccc(C(=O)[O-])c2)cc1 ZINC001598314252 991294815 /nfs/dbraw/zinc/29/48/15/991294815.db2.gz JZPDBTLWGXMTPR-GQCTYLIASA-N 0 0 310.397 3.254 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1cc(C(=O)[O-])ccc1O ZINC001593234435 994402426 /nfs/dbraw/zinc/40/24/26/994402426.db2.gz ZZOUCERNYWKKEK-QFYYESIMSA-N 0 0 312.369 3.011 20 10 DGCDRN C[C@@H]([NH2+]CCc1cccc(F)c1)c1cc(C(=O)[O-])ccc1O ZINC001593273183 994616261 /nfs/dbraw/zinc/61/62/61/994616261.db2.gz CWHMGOYETOTKED-LLVKDONJSA-N 0 0 303.333 3.123 20 10 DGCDRN C[C@H]([NH2+]CCc1ccc(Cl)nc1)c1cc(C(=O)[O-])ccc1O ZINC001593274771 994626833 /nfs/dbraw/zinc/62/68/33/994626833.db2.gz NWGDJGBTNNTNPA-JTQLQIEISA-N 0 0 320.776 3.032 20 10 DGCDRN C[C@H]([NH2+]Cc1ccccc1CC(=O)[O-])c1ccc(N(C)C)cc1 ZINC001593305616 994765845 /nfs/dbraw/zinc/76/58/45/994765845.db2.gz YLLRKNMZBXZGID-AWEZNQCLSA-N 0 0 312.413 3.231 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)[C@H]1C[C@H]1C(=O)[O-] ZINC001594434228 999612853 /nfs/dbraw/zinc/61/28/53/999612853.db2.gz HMJGOMTZLCZBBR-ZTFGCOKTSA-N 0 0 316.445 3.122 20 10 DGCDRN C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1c([O-])ccc(Cl)c1Cl ZINC001237078316 1099958896 /nfs/dbraw/zinc/95/88/96/1099958896.db2.gz PKKASFPHFNZABD-VHSXEESVSA-N 0 0 304.217 3.292 20 10 DGCDRN Cc1nc(C(C)(C)C)nc(NCc2ccc(O)c(O)c2)c1C ZINC001169993304 1081805458 /nfs/dbraw/zinc/80/54/58/1081805458.db2.gz SOMZQKPEGIYASJ-UHFFFAOYSA-N 0 0 301.390 3.414 20 10 DGCDRN Oc1ccc(CNc2ccc(C3N=NC(=S)O3)cc2)cc1O ZINC001169995259 1081819091 /nfs/dbraw/zinc/81/90/91/1081819091.db2.gz WLQDXONWAMCUJE-UHFFFAOYSA-N 0 0 315.354 3.049 20 10 DGCDRN CC(=O)Oc1c[nH]c2cc(NCc3ccc(O)c(O)c3)ccc12 ZINC001169996917 1081819390 /nfs/dbraw/zinc/81/93/90/1081819390.db2.gz MJNLJZAEXCPNEJ-UHFFFAOYSA-N 0 0 312.325 3.117 20 10 DGCDRN COC(=O)CCCc1ccc(NCc2ccc(O)c(O)c2)cc1 ZINC001169997134 1081821807 /nfs/dbraw/zinc/82/18/07/1081821807.db2.gz SAFIBHYYRYIERC-UHFFFAOYSA-N 0 0 315.369 3.206 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000691476186 1081867559 /nfs/dbraw/zinc/86/75/59/1081867559.db2.gz IKTZASICDGLRLA-WCQYABFASA-N 0 0 302.201 3.356 20 10 DGCDRN CCCOc1nc(C)ccc1C(=O)N[C@H](C)c1ccccc1O ZINC001648889908 1081954422 /nfs/dbraw/zinc/95/44/22/1081954422.db2.gz RDXYKVURJYNWHI-CYBMUJFWSA-N 0 0 314.385 3.375 20 10 DGCDRN COc1cccc(CC(=O)N[C@@H](C)c2ccccc2O)c1Cl ZINC001648894606 1081955172 /nfs/dbraw/zinc/95/51/72/1081955172.db2.gz OMTSFLOKEHPZPQ-NSHDSACASA-N 0 0 319.788 3.474 20 10 DGCDRN Nc1ccc(NC(=O)Nc2ccc(NC3=CCOC3)cc2)cc1 ZINC001203397864 1082090841 /nfs/dbraw/zinc/09/08/41/1082090841.db2.gz HXNAWAOCIMRQGC-UHFFFAOYSA-N 0 0 310.357 3.239 20 10 DGCDRN C[C@H](CCc1ccccc1)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403510 1082146940 /nfs/dbraw/zinc/14/69/40/1082146940.db2.gz MIZUXGAPHCZFJQ-GAJOTYCWSA-N 0 0 311.381 3.249 20 10 DGCDRN CCc1nc2cc(NC(=O)/C=C\c3ccc(O)c(O)c3)ccc2o1 ZINC000588403893 1082147672 /nfs/dbraw/zinc/14/76/72/1082147672.db2.gz CZTZUEKVLGRTKU-YWEYNIOJSA-N 0 0 324.336 3.453 20 10 DGCDRN CCn1c2ccccc2nc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588405410 1082149760 /nfs/dbraw/zinc/14/97/60/1082149760.db2.gz LOWJLFCTNCZEMT-NTMALXAHSA-N 0 0 323.352 3.119 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCc2ccc(Cl)cc21 ZINC000588405232 1082149837 /nfs/dbraw/zinc/14/98/37/1082149837.db2.gz VAZYNTAHYSCHGQ-KXFIGUGUSA-N 0 0 315.756 3.354 20 10 DGCDRN C[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@H]1c1ccccc1 ZINC000588405838 1082151705 /nfs/dbraw/zinc/15/17/05/1082151705.db2.gz VICGHQFUCQZQKK-RMKKGBGRSA-N 0 0 309.365 3.331 20 10 DGCDRN CC(C)c1cnc(NC(=O)/C=C\c2ccc(O)c(O)c2)s1 ZINC000588405816 1082151751 /nfs/dbraw/zinc/15/17/51/1082151751.db2.gz SNTAHGCJBFTINK-XQRVVYSFSA-N 0 0 304.371 3.330 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(OC(F)F)c1 ZINC000588406292 1082152782 /nfs/dbraw/zinc/15/27/82/1082152782.db2.gz GKUILNYXCKSATO-ALCCZGGFSA-N 0 0 321.279 3.351 20 10 DGCDRN CSc1cc(C)ccc1N(c1ccc(N)cc1)S(C)(=O)=O ZINC001215871759 1082193774 /nfs/dbraw/zinc/19/37/74/1082193774.db2.gz AAKHDXYBIIEKHZ-UHFFFAOYSA-N 0 0 322.455 3.397 20 10 DGCDRN C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001125534089 1082237519 /nfs/dbraw/zinc/23/75/19/1082237519.db2.gz BAAWTQPHJWCBDB-NMFUWQPSSA-N 0 0 304.409 3.190 20 10 DGCDRN O=C(CNc1ccc(F)c2cnccc12)c1ccc(O)c(O)c1 ZINC001170315386 1082345131 /nfs/dbraw/zinc/34/51/31/1082345131.db2.gz WTYZZHHCUROSDX-UHFFFAOYSA-N 0 0 312.300 3.080 20 10 DGCDRN Cc1cnc(NCC(=O)c2ccc(O)c(O)c2)c2ccccc12 ZINC001170316813 1082345282 /nfs/dbraw/zinc/34/52/82/1082345282.db2.gz PNQVEYSHVCAGHU-UHFFFAOYSA-N 0 0 308.337 3.249 20 10 DGCDRN O=S(=O)(/C=C\c1cccc(Cl)c1)Nc1ccc(O)cc1 ZINC000588481477 1082429404 /nfs/dbraw/zinc/42/94/04/1082429404.db2.gz PAAHCHGTUAKZMC-HJWRWDBZSA-N 0 0 309.774 3.458 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCCC2(C)C)cc1 ZINC001130744528 1082610477 /nfs/dbraw/zinc/61/04/77/1082610477.db2.gz CQQIZIVEWKBCBI-KRWDZBQOSA-N 0 0 318.461 3.416 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)/C=C2\CC[C@H](C)C2)cc1 ZINC001130745447 1082610834 /nfs/dbraw/zinc/61/08/34/1082610834.db2.gz WXSFWPKUNKTRNT-IDTYTIONSA-N 0 0 316.445 3.336 20 10 DGCDRN Nc1c(F)c(F)c(F)cc1-c1ccn(CC(F)(F)F)c(=O)c1 ZINC001244178454 1082650427 /nfs/dbraw/zinc/65/04/27/1082650427.db2.gz DXWSCRZIJBLHOG-UHFFFAOYSA-N 0 0 322.208 3.077 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C=C/c1cncc(F)c1)CCC2 ZINC001131431733 1082671902 /nfs/dbraw/zinc/67/19/02/1082671902.db2.gz GAQJLQBAEFKHLS-QPJJXVBHSA-N 0 0 312.344 3.222 20 10 DGCDRN CCC1(C(=O)N[C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)COC1 ZINC001143466090 1083009901 /nfs/dbraw/zinc/00/99/01/1083009901.db2.gz KMUWOHRRJSFFKK-MRXNPFEDSA-N 0 0 317.429 3.175 20 10 DGCDRN C/C(=C\C(=O)N(CC(F)(F)F)c1ccccc1)c1cnccn1 ZINC001125864869 1083287240 /nfs/dbraw/zinc/28/72/40/1083287240.db2.gz GYUDUFRDCJJZCS-FMIVXFBMSA-N 0 0 321.302 3.475 20 10 DGCDRN CC(C)(C(=O)NCc1ccccc1O)c1c(F)cccc1F ZINC001181189869 1083425681 /nfs/dbraw/zinc/42/56/81/1083425681.db2.gz JVXIBUVJKAGURJ-UHFFFAOYSA-N 0 0 305.324 3.264 20 10 DGCDRN CC(=O)C[C@@H](C)C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001181258106 1083446646 /nfs/dbraw/zinc/44/66/46/1083446646.db2.gz SMUMHXMUEDBZMX-CQSZACIVSA-N 0 0 310.397 3.417 20 10 DGCDRN O=C([C@H]1CC12CCCCC2)N1CCCc2cc(O)c(O)cc2C1 ZINC001181907534 1083578777 /nfs/dbraw/zinc/57/87/77/1083578777.db2.gz BKGQBZLXWJWHFO-OAHLLOKOSA-N 0 0 315.413 3.343 20 10 DGCDRN C[N@@H+]1CCN(Cc2ccc(F)c(F)c2[O-])c2ccccc2C1 ZINC001181987383 1083595868 /nfs/dbraw/zinc/59/58/68/1083595868.db2.gz SJXKHSKSNFFTDH-UHFFFAOYSA-N 0 0 304.340 3.122 20 10 DGCDRN O=C(CCc1ccc(O)c(O)c1)Nc1cc(C2CCCC2)no1 ZINC001182153749 1083634140 /nfs/dbraw/zinc/63/41/40/1083634140.db2.gz HWLWWQVIZUTKMB-UHFFFAOYSA-N 0 0 316.357 3.315 20 10 DGCDRN CC(C)(C)C1CCN(C(=O)CCc2ccc(O)c(O)c2)CC1 ZINC001182153912 1083634971 /nfs/dbraw/zinc/63/49/71/1083634971.db2.gz PSKAHYSCXUZSEX-UHFFFAOYSA-N 0 0 305.418 3.315 20 10 DGCDRN O=C(CCc1ccc(O)c(O)c1)Nc1ccc(-n2cccc2)cc1 ZINC001182153728 1083635086 /nfs/dbraw/zinc/63/50/86/1083635086.db2.gz GTADKIODERCADR-UHFFFAOYSA-N 0 0 322.364 3.460 20 10 DGCDRN Cc1[nH]c2ncccc2c1CC(=O)NCc1c(C)cc(C)cc1O ZINC001182620775 1083768889 /nfs/dbraw/zinc/76/88/89/1083768889.db2.gz RDRGGFWUSODHLQ-UHFFFAOYSA-N 0 0 323.396 3.053 20 10 DGCDRN COc1ccc([C@@H](C(=O)NCc2ccccc2O)C(C)C)cc1 ZINC001182994098 1083851765 /nfs/dbraw/zinc/85/17/65/1083851765.db2.gz PVBMCLGFFGAQTH-SFHVURJKSA-N 0 0 313.397 3.457 20 10 DGCDRN COc1cc(C)c(C[NH2+][C@H]2COc3cccc(C)c3C2)c(O)c1 ZINC001183013029 1083855105 /nfs/dbraw/zinc/85/51/05/1083855105.db2.gz XMVQQAQVJZCVCN-CQSZACIVSA-N 0 0 313.397 3.111 20 10 DGCDRN CC[NH+](CC)CCN(C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203572078 1083978127 /nfs/dbraw/zinc/97/81/27/1083978127.db2.gz VQZXCFWKBXBNBD-UHFFFAOYSA-N 0 0 305.249 3.473 20 10 DGCDRN Cc1cc(O)c(CN2CC(O)(c3ccc(F)cc3)C2)cc1Cl ZINC001183651323 1083990950 /nfs/dbraw/zinc/99/09/50/1083990950.db2.gz BDHUUDDZIARUSX-UHFFFAOYSA-N 0 0 321.779 3.197 20 10 DGCDRN O=C(c1c(F)ccc(O)c1O)N1Cc2ccc(Cl)cc2C1 ZINC001183671331 1083995552 /nfs/dbraw/zinc/99/55/52/1083995552.db2.gz YGDMWMUHDLLVHX-UHFFFAOYSA-N 0 0 307.708 3.046 20 10 DGCDRN C[N@@H+]1C[C@H]2CCCN(Cc3cc(Cl)cc(Cl)c3[O-])[C@@H]2C1 ZINC001203579704 1084071752 /nfs/dbraw/zinc/07/17/52/1084071752.db2.gz CBBHWVPWDBSEHH-QMTHXVAHSA-N 0 0 315.244 3.225 20 10 DGCDRN COc1nscc1CN(C)Cc1c(O)cc(C)cc1Cl ZINC001183991608 1084084114 /nfs/dbraw/zinc/08/41/14/1084084114.db2.gz MKGYQPWELUWXFB-UHFFFAOYSA-N 0 0 312.822 3.451 20 10 DGCDRN C[C@H]1CCC[C@H](C(=O)N2CCCc3cc(O)c(O)cc3C2)C1 ZINC001184508762 1084205906 /nfs/dbraw/zinc/20/59/06/1084205906.db2.gz QYRQICBYZNCXNO-JSGCOSHPSA-N 0 0 303.402 3.199 20 10 DGCDRN Cc1c(Cl)cccc1NC(=O)NCc1cccc(O)c1O ZINC001184695323 1084242319 /nfs/dbraw/zinc/24/23/19/1084242319.db2.gz XSSCINJUOWWMDX-UHFFFAOYSA-N 0 0 306.749 3.381 20 10 DGCDRN Cc1c(Cl)cccc1NC(=O)NCc1ccc(O)c(O)c1 ZINC001184694946 1084242621 /nfs/dbraw/zinc/24/26/21/1084242621.db2.gz HSYOPTQQMFPVSH-UHFFFAOYSA-N 0 0 306.749 3.381 20 10 DGCDRN O=C(Nc1ccc(F)c(F)c1)N1CCc2cccc(O)c2C1 ZINC001185081166 1084347538 /nfs/dbraw/zinc/34/75/38/1084347538.db2.gz KRMNSGZSQOEXAF-UHFFFAOYSA-N 0 0 304.296 3.261 20 10 DGCDRN CC[C@H](C)Oc1cc(NCCc2ccc(O)c(O)c2)nc(C)n1 ZINC001185611987 1084487345 /nfs/dbraw/zinc/48/73/45/1084487345.db2.gz RIDQQNUUEKTSFS-NSHDSACASA-N 0 0 317.389 3.028 20 10 DGCDRN O=C(Nc1ccc2c(c1)CCC2)N1CCc2cccc(O)c2C1 ZINC001185754698 1084527132 /nfs/dbraw/zinc/52/71/32/1084527132.db2.gz ZVKSGASSPVYRLJ-UHFFFAOYSA-N 0 0 308.381 3.471 20 10 DGCDRN O=C(NCc1ccccc1O)[C@H]1CC(=O)c2cc(Cl)ccc21 ZINC001186255870 1084627316 /nfs/dbraw/zinc/62/73/16/1084627316.db2.gz DEFXEBNPAKSESG-AWEZNQCLSA-N 0 0 315.756 3.032 20 10 DGCDRN COc1cc(N(C)C[C@@]2(C)CCCCO2)cc(OC)c1OC ZINC001205353506 1084650170 /nfs/dbraw/zinc/65/01/70/1084650170.db2.gz KYQUZLKRRQYFNU-QGZVFWFLSA-N 0 0 309.406 3.108 20 10 DGCDRN CC[C@@H](COC)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001126399875 1085065669 /nfs/dbraw/zinc/06/56/69/1085065669.db2.gz GWEFPAQJYQOFMN-KRWDZBQOSA-N 0 0 314.429 3.178 20 10 DGCDRN CCc1cc(OC)ccc1NCCc1cc(O)c(O)cc1O ZINC001168010604 1086193077 /nfs/dbraw/zinc/19/30/77/1086193077.db2.gz XXDQIFLZLJIMDM-UHFFFAOYSA-N 0 0 303.358 3.029 20 10 DGCDRN Cc1cc(NCCc2cc(O)c(O)cc2O)cc2cccnc12 ZINC001168013702 1086255747 /nfs/dbraw/zinc/25/57/47/1086255747.db2.gz IWJZKLYWIKOLBS-UHFFFAOYSA-N 0 0 310.353 3.315 20 10 DGCDRN COc1ccc(C[N@H+](C)Cc2cc(F)c(F)cc2[O-])c(OC)c1 ZINC001142524630 1087276852 /nfs/dbraw/zinc/27/68/52/1087276852.db2.gz DYCSRITYHKKXNM-UHFFFAOYSA-N 0 0 323.339 3.320 20 10 DGCDRN Cc1cccnc1O[C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142530405 1087278831 /nfs/dbraw/zinc/27/88/31/1087278831.db2.gz HCWJFIUEPDXAMN-CYBMUJFWSA-N 0 0 320.339 3.027 20 10 DGCDRN C/C(=C\C(=O)N1C[C@@H](C)Sc2ccccc21)c1cnccn1 ZINC001126993797 1087435392 /nfs/dbraw/zinc/43/53/92/1087435392.db2.gz ZVTFXHRDRLHERZ-CNELAYHGSA-N 0 0 311.410 3.407 20 10 DGCDRN C[C@H]1CN(Cc2cc(Cl)ccc2O)C[C@](C)(C(F)F)O1 ZINC000698930092 1087708014 /nfs/dbraw/zinc/70/80/14/1087708014.db2.gz YRDBZNBOBKENDQ-LKFCYVNXSA-N 0 0 305.752 3.290 20 10 DGCDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001151892078 1087813287 /nfs/dbraw/zinc/81/32/87/1087813287.db2.gz HXRKNPCMSLYDFQ-NSHDSACASA-N 0 0 300.314 3.100 20 10 DGCDRN C[C@H](NC(=O)CCc1nc2ccccc2[nH]1)c1ccccc1O ZINC001151892698 1087816437 /nfs/dbraw/zinc/81/64/37/1087816437.db2.gz VYFWTDDRICCSFO-LBPRGKRZSA-N 0 0 309.369 3.079 20 10 DGCDRN CCON(CC)C(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC001152141882 1087907067 /nfs/dbraw/zinc/90/70/67/1087907067.db2.gz IXLARAXWORMRJL-UHFFFAOYSA-N 0 0 314.385 3.320 20 10 DGCDRN O=C(NCCOc1ccc(F)c(Cl)c1)C1=CC(=O)CS1 ZINC001158642205 1087953482 /nfs/dbraw/zinc/95/34/82/1087953482.db2.gz ZCNHFBUEQYZAAK-UHFFFAOYSA-N 0 0 315.753 3.055 20 10 DGCDRN C[C@@H](CSC(F)(F)F)C(=O)N1Cc2cccc(O)c2C1 ZINC001152572660 1088006467 /nfs/dbraw/zinc/00/64/67/1088006467.db2.gz FEZLSBLIJZKDIU-QMMMGPOBSA-N 0 0 305.321 3.124 20 10 DGCDRN Oc1ccc(CNc2nc(Cl)nc3c2CCCC3)cc1O ZINC001158994367 1088123527 /nfs/dbraw/zinc/12/35/27/1088123527.db2.gz KOODXBBMLFSDBQ-UHFFFAOYSA-N 0 0 305.765 3.032 20 10 DGCDRN Oc1ccc(CNc2ncnc3[nH]c4cc(F)ccc4c32)cc1O ZINC001159005743 1088134793 /nfs/dbraw/zinc/13/47/93/1088134793.db2.gz PJTQCCIIVYNDPO-UHFFFAOYSA-N 0 0 324.315 3.274 20 10 DGCDRN O=C(c1c(O)ccc2ccccc21)N1CCc2cccc(O)c2C1 ZINC001153505474 1088267795 /nfs/dbraw/zinc/26/77/95/1088267795.db2.gz MEEIEKXSONCCDV-UHFFFAOYSA-N 0 0 319.360 3.450 20 10 DGCDRN CC(=O)CCC(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001142754259 1088357703 /nfs/dbraw/zinc/35/77/03/1088357703.db2.gz PRADYFZSUQMPTF-QGZVFWFLSA-N 0 0 303.402 3.118 20 10 DGCDRN C/C(=C\c1ccccc1Cl)C(=O)NCc1cc(O)ccc1O ZINC001153884687 1088394738 /nfs/dbraw/zinc/39/47/38/1088394738.db2.gz FQMXFZJKMKOVEZ-DHZHZOJOSA-N 0 0 317.772 3.471 20 10 DGCDRN O=C(CCCc1ccc(Cl)cc1)NCc1cc(O)ccc1O ZINC001153879580 1088394782 /nfs/dbraw/zinc/39/47/82/1088394782.db2.gz QRBWIUWXTJXOJI-UHFFFAOYSA-N 0 0 319.788 3.390 20 10 DGCDRN COc1ccc([C@H](C)NC(=O)c2c(F)ccc(O)c2O)cc1C ZINC001649026238 1088429480 /nfs/dbraw/zinc/42/94/80/1088429480.db2.gz UVEAGRDDBSTTAR-JTQLQIEISA-N 0 0 319.332 3.045 20 10 DGCDRN COC(=O)c1cc(OC)c(Nc2ccc(N)cc2)cc1Cl ZINC001159823469 1088508807 /nfs/dbraw/zinc/50/88/07/1088508807.db2.gz YPFVBZZZRRGOAQ-UHFFFAOYSA-N 0 0 306.749 3.461 20 10 DGCDRN CCOC(=O)c1cc2cc(C)c(N)cc2n1-c1ccc(N)cc1 ZINC001160006556 1088597929 /nfs/dbraw/zinc/59/79/29/1088597929.db2.gz ZXFHZHMEEQTICU-UHFFFAOYSA-N 0 0 309.369 3.280 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H](CO)C(C)C ZINC001649034628 1088598441 /nfs/dbraw/zinc/59/84/41/1088598441.db2.gz NDCXBSNDDSVZMO-KRWDZBQOSA-N 0 0 314.429 3.149 20 10 DGCDRN CCc1cnc(NCc2cc(Br)ccc2O)nc1 ZINC001160011430 1088599819 /nfs/dbraw/zinc/59/98/19/1088599819.db2.gz AWBNUBAFXDRPBL-UHFFFAOYSA-N 0 0 308.179 3.119 20 10 DGCDRN CCNC(=O)c1cccnc1NCc1cc2ccccc2cc1O ZINC001160207584 1088697613 /nfs/dbraw/zinc/69/76/13/1088697613.db2.gz UZIZEBANVYBARH-UHFFFAOYSA-N 0 0 321.380 3.302 20 10 DGCDRN CCN(Cc1ccccc1O)c1nc(Cl)nc2cnccc21 ZINC001154890347 1088813378 /nfs/dbraw/zinc/81/33/78/1088813378.db2.gz WINGSOQNGITMOG-UHFFFAOYSA-N 0 0 314.776 3.410 20 10 DGCDRN CCN(Cc1ccccc1O)c1nccc(Cl)c1C(=O)OC ZINC001154890050 1088813465 /nfs/dbraw/zinc/81/34/65/1088813465.db2.gz OVJTVCWFOMCTBI-UHFFFAOYSA-N 0 0 320.776 3.254 20 10 DGCDRN CCN(Cc1ccccc1O)c1cc(Cl)ncc1C(=O)OC ZINC001154889947 1088813776 /nfs/dbraw/zinc/81/37/76/1088813776.db2.gz MPEMYOYMDWNSLS-UHFFFAOYSA-N 0 0 320.776 3.254 20 10 DGCDRN CCN(Cc1ccccc1O)c1cc(Cl)cc(C(=O)OC)n1 ZINC001154889693 1088813818 /nfs/dbraw/zinc/81/38/18/1088813818.db2.gz FCYGOJOSLBCEQM-UHFFFAOYSA-N 0 0 320.776 3.254 20 10 DGCDRN CCOc1nc(NCc2c(C)cc(C)cc2O)ccc1[N+](=O)[O-] ZINC001160810147 1088973994 /nfs/dbraw/zinc/97/39/94/1088973994.db2.gz KIUXLRPFVMOKCP-UHFFFAOYSA-N 0 0 317.345 3.323 20 10 DGCDRN Cc1cc(C)c(CNc2ncc3ncnc(Cl)c3n2)c(O)c1 ZINC001160810609 1088974531 /nfs/dbraw/zinc/97/45/31/1088974531.db2.gz TXTFMDPDRVAUJP-UHFFFAOYSA-N 0 0 315.764 3.008 20 10 DGCDRN O=C(c1c2cc[nH]c2ccc1F)N1CCc2cccc(O)c2C1 ZINC001155428636 1089109401 /nfs/dbraw/zinc/10/94/01/1089109401.db2.gz XLHIENQWOSTQNR-UHFFFAOYSA-N 0 0 310.328 3.211 20 10 DGCDRN COc1ccc(CNC(=O)c2cscc2C(F)F)c(O)c1 ZINC001155575872 1089171113 /nfs/dbraw/zinc/17/11/13/1089171113.db2.gz ZRLKCIYYJNEPGV-UHFFFAOYSA-N 0 0 313.325 3.330 20 10 DGCDRN Cc1ccc(Cl)c(N2CCCc3cc(O)c(O)cc3C2)n1 ZINC001155933527 1089302682 /nfs/dbraw/zinc/30/26/82/1089302682.db2.gz WNPZFBGOYUULHT-UHFFFAOYSA-N 0 0 304.777 3.407 20 10 DGCDRN Cc1ccnc(N2CCCc3cc(O)c(O)cc3C2)c1Cl ZINC001155941792 1089305092 /nfs/dbraw/zinc/30/50/92/1089305092.db2.gz ZZGLUVMXYOUOHR-UHFFFAOYSA-N 0 0 304.777 3.407 20 10 DGCDRN COc1cc(Cl)ncc1N1CCCc2cc(O)c(O)cc2C1 ZINC001155941319 1089305459 /nfs/dbraw/zinc/30/54/59/1089305459.db2.gz KZNCQIQJNBLHOO-UHFFFAOYSA-N 0 0 320.776 3.108 20 10 DGCDRN CC(C)Oc1cccc(N2CCCc3cc(O)c(O)cc3C2)n1 ZINC001155940962 1089306165 /nfs/dbraw/zinc/30/61/65/1089306165.db2.gz DBRWYQFNGZHNLF-UHFFFAOYSA-N 0 0 314.385 3.233 20 10 DGCDRN Oc1cc2c(cc1O)CN(c1cc(C3CCC3)ncn1)CCC2 ZINC001155944961 1089307849 /nfs/dbraw/zinc/30/78/49/1089307849.db2.gz MPSWEGIUYTZFPI-UHFFFAOYSA-N 0 0 311.385 3.108 20 10 DGCDRN CSc1cnc(N2CCCc3cc(O)c(O)cc3C2)c(C)c1 ZINC001155945029 1089309110 /nfs/dbraw/zinc/30/91/10/1089309110.db2.gz QGXDQXZKPBSXJU-UHFFFAOYSA-N 0 0 316.426 3.476 20 10 DGCDRN COC(=O)c1cnc(NCc2ccc(N(C)C)cc2)c(Cl)c1 ZINC001162009675 1089524549 /nfs/dbraw/zinc/52/45/49/1089524549.db2.gz FBYWVWQYUQJKLV-UHFFFAOYSA-N 0 0 319.792 3.200 20 10 DGCDRN CC/C=C(/C)C(=O)NCCC1=CCN(c2cccc(F)n2)CC1 ZINC001089810048 1089550706 /nfs/dbraw/zinc/55/07/06/1089550706.db2.gz FIJXHQORTCSQNZ-RZNTYIFUSA-N 0 0 317.408 3.220 20 10 DGCDRN CC(C)[C@@H](C(=O)NCc1ccc(O)cc1O)c1ccc(F)cc1 ZINC001162278354 1089650704 /nfs/dbraw/zinc/65/07/04/1089650704.db2.gz HJTJCUQMRUFMGL-QGZVFWFLSA-N 0 0 317.360 3.293 20 10 DGCDRN C[C@H](SCc1ccccc1)C(=O)NCc1c(O)cccc1O ZINC001156881265 1089729018 /nfs/dbraw/zinc/72/90/18/1089729018.db2.gz WKFAKQPMRGVISZ-LBPRGKRZSA-N 0 0 317.410 3.036 20 10 DGCDRN F[C@H](NCc1ccc2c(c1)CCO2)Oc1cccc(Cl)n1 ZINC001156973746 1089769883 /nfs/dbraw/zinc/76/98/83/1089769883.db2.gz RVRCCUWNIRIEGL-OAHLLOKOSA-N 0 0 308.740 3.092 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)C(F)(F)C(F)F ZINC001157041521 1089796126 /nfs/dbraw/zinc/79/61/26/1089796126.db2.gz IECZHJIMWIYIHM-UHFFFAOYSA-N 0 0 301.239 3.062 20 10 DGCDRN CC(C)=C(F)C(=O)NCCC1=CCN(c2cccc(F)n2)CC1 ZINC001089821243 1089814101 /nfs/dbraw/zinc/81/41/01/1089814101.db2.gz VPADSKVNAOFTJL-UHFFFAOYSA-N 0 0 321.371 3.127 20 10 DGCDRN C[C@@H](C(=O)NCc1ccc2cccnc2c1O)c1cccc(O)c1 ZINC001162612647 1089830173 /nfs/dbraw/zinc/83/01/73/1089830173.db2.gz NUNQWAOESIUGBY-GFCCVEGCSA-N 0 0 322.364 3.066 20 10 DGCDRN CCOC(=O)c1cnc(Cl)cc1NCc1ccc(N)cc1 ZINC001162784916 1089955399 /nfs/dbraw/zinc/95/53/99/1089955399.db2.gz ZGHSWMNWBKBWIX-UHFFFAOYSA-N 0 0 305.765 3.106 20 10 DGCDRN Nc1ccc(CNc2nccc(OCc3ccccc3)n2)cc1 ZINC001162785621 1089955444 /nfs/dbraw/zinc/95/54/44/1089955444.db2.gz KQXKNLFVNRYBFK-UHFFFAOYSA-N 0 0 306.369 3.250 20 10 DGCDRN CCOC(=O)c1cc2cccnc2nc1NCc1ccc(N)cc1 ZINC001162785927 1089955527 /nfs/dbraw/zinc/95/55/27/1089955527.db2.gz PTZICKWPVXHJAG-UHFFFAOYSA-N 0 0 322.368 3.001 20 10 DGCDRN COc1nccnc1NCc1cc(Cl)c2cccnc2c1O ZINC001157723727 1090088084 /nfs/dbraw/zinc/08/80/84/1090088084.db2.gz BKEPRHUQKLIGFZ-UHFFFAOYSA-N 0 0 316.748 3.005 20 10 DGCDRN CC(C)[N@H+](Cc1cc(F)cc(Cl)c1[O-])C1CCN(C)CC1 ZINC001237802046 1090326212 /nfs/dbraw/zinc/32/62/12/1090326212.db2.gz KLQLKBJLKUCILN-UHFFFAOYSA-N 0 0 314.832 3.489 20 10 DGCDRN COc1ccc(-c2noc(-c3nnsc3C)n2)c(Cl)c1 ZINC001212405274 1090626602 /nfs/dbraw/zinc/62/66/02/1090626602.db2.gz LFOZZVJLOQWEDS-UHFFFAOYSA-N 0 0 308.750 3.226 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2cc(C)ccn2)C1 ZINC001166818281 1090661402 /nfs/dbraw/zinc/66/14/02/1090661402.db2.gz BHHTWGAPBVYHMK-UHFFFAOYSA-N 0 0 307.397 3.453 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@](F)(CO)CC1 ZINC001203574350 1090759298 /nfs/dbraw/zinc/75/92/98/1090759298.db2.gz TWTXAICCUALLJK-CQSZACIVSA-N 0 0 322.207 3.386 20 10 DGCDRN Cc1nc2c(o1)CCN(Cc1cc(Br)ccc1O)C2 ZINC001203648250 1090772745 /nfs/dbraw/zinc/77/27/45/1090772745.db2.gz GLOCGFQIJGPOBB-UHFFFAOYSA-N 0 0 323.190 3.009 20 10 DGCDRN COc1ccc(N2CCN(Cc3cccc(O)c3)CC2)c(C)c1 ZINC001203867497 1090824594 /nfs/dbraw/zinc/82/45/94/1090824594.db2.gz NAANLVJVDYUQLA-UHFFFAOYSA-N 0 0 312.413 3.031 20 10 DGCDRN Oc1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1O ZINC001203882748 1090825978 /nfs/dbraw/zinc/82/59/78/1090825978.db2.gz UJWNSWMRTVDDQJ-UHFFFAOYSA-N 0 0 318.804 3.073 20 10 DGCDRN CN(C)c1ccc(CN2CCCC[C@H]2C(=O)OC(C)(C)C)cc1 ZINC001203933585 1090842313 /nfs/dbraw/zinc/84/23/13/1090842313.db2.gz APXLJBJIUFIRFD-KRWDZBQOSA-N 0 0 318.461 3.449 20 10 DGCDRN COC(=O)c1cccc2c1CN(Cc1ccc(N(C)C)cc1)C2 ZINC001203934309 1090843135 /nfs/dbraw/zinc/84/31/35/1090843135.db2.gz POHAKQLHRRVSKS-UHFFFAOYSA-N 0 0 310.397 3.055 20 10 DGCDRN CN(C)c1ccc(CN2CC(Oc3ccccc3F)C2)cc1 ZINC001203937889 1090844077 /nfs/dbraw/zinc/84/40/77/1090844077.db2.gz XQJRZYRCFDHQHX-UHFFFAOYSA-N 0 0 300.377 3.155 20 10 DGCDRN CN(C)c1ccc(C[N@@H+]2CC[C@H](C(=O)c3ccccc3)C2)cc1 ZINC001203935793 1090844610 /nfs/dbraw/zinc/84/46/10/1090844610.db2.gz DMTGXPJBTOKIBU-SFHVURJKSA-N 0 0 308.425 3.457 20 10 DGCDRN c1ccc([C@@H]2CN(Cc3ccc(N4CCCC4)cc3)CCO2)nc1 ZINC001204322576 1090949655 /nfs/dbraw/zinc/94/96/55/1090949655.db2.gz SMYWXZDCFACFMN-FQEVSTJZSA-N 0 0 323.440 3.255 20 10 DGCDRN COc1cc(CN2CCc3cccc(Cl)c3C2)cc(O)c1O ZINC001204346406 1090952895 /nfs/dbraw/zinc/95/28/95/1090952895.db2.gz OBHZIAMHXCTIFO-UHFFFAOYSA-N 0 0 319.788 3.318 20 10 DGCDRN C[N@@H+]1CCN(Cc2ccc(F)c(F)c2[O-])C2(CCCCC2)C1 ZINC001204359421 1090955596 /nfs/dbraw/zinc/95/55/96/1090955596.db2.gz PPYZQCGBMHQPPU-UHFFFAOYSA-N 0 0 310.388 3.121 20 10 DGCDRN CC(C)c1ccc(O)c(CN2CCNC(=O)[C@@H]2c2ccccc2)c1 ZINC001204433232 1090968588 /nfs/dbraw/zinc/96/85/88/1090968588.db2.gz YMKBWBVKDDCNFY-IBGZPJMESA-N 0 0 324.424 3.189 20 10 DGCDRN CCN(Cc1ccc(N2CCCCC2)cc1)[C@@H](C)C(=O)OC ZINC001138222373 1091119854 /nfs/dbraw/zinc/11/98/54/1091119854.db2.gz UTZXLULJRQCIKH-HNNXBMFYSA-N 0 0 304.434 3.060 20 10 DGCDRN CCOC(=O)[C@H]1CCCCN1Cc1c(C)n(C)c2ccccc12 ZINC001138256749 1091126790 /nfs/dbraw/zinc/12/67/90/1091126790.db2.gz JFIZCEOWLBNNMY-GOSISDBHSA-N 0 0 314.429 3.404 20 10 DGCDRN CCN(CC)c1ccc(CN2CCC[C@H](F)C(=O)C2)c(OC)c1 ZINC001138386211 1091160885 /nfs/dbraw/zinc/16/08/85/1091160885.db2.gz JTGPDQFQHCWVEH-INIZCTEOSA-N 0 0 322.424 3.044 20 10 DGCDRN COc1ccc(C(F)(F)NCc2ccc(N)cc2)nc1Cl ZINC001162785545 1091217139 /nfs/dbraw/zinc/21/71/39/1091217139.db2.gz GCNMSDQTZHAYKX-UHFFFAOYSA-N 0 0 313.735 3.165 20 10 DGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@@H](F)C2)c1[O-] ZINC001118201994 1091356231 /nfs/dbraw/zinc/35/62/31/1091356231.db2.gz NFFPSHDVMHLUOF-GHMZBOCLSA-N 0 0 302.733 3.324 20 10 DGCDRN COc1ccc(N2CCN(Cc3ncccc3C)CC2)c(C)c1 ZINC001205813823 1091361275 /nfs/dbraw/zinc/36/12/75/1091361275.db2.gz KEKUGULQRQJMAQ-UHFFFAOYSA-N 0 0 311.429 3.029 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCC(OCC2CCCC2)CC1 ZINC001294405350 1091389097 /nfs/dbraw/zinc/38/90/97/1091389097.db2.gz VQEVRDBXZTTXJI-UHFFFAOYSA-N 0 0 309.431 3.265 20 10 DGCDRN CNc1ccc(C(=O)N(C)Cc2ccccc2O)c(Cl)c1 ZINC001294679966 1091428696 /nfs/dbraw/zinc/42/86/96/1091428696.db2.gz SUBBMLHYJQAVGL-UHFFFAOYSA-N 0 0 304.777 3.360 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CCC(C(F)F)CC1 ZINC001139130555 1091459999 /nfs/dbraw/zinc/45/99/99/1091459999.db2.gz FIOAWTSHOBBGLA-UHFFFAOYSA-N 0 0 323.339 3.284 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCC[C@H]1C(C)C ZINC001139133194 1091461667 /nfs/dbraw/zinc/46/16/67/1091461667.db2.gz DSBPYWPJTYNALS-HNNXBMFYSA-N 0 0 301.386 3.427 20 10 DGCDRN Cn1ccc(N(Cc2ccccc2)c2ccc(N)cc2)cc1=O ZINC001206121554 1091500484 /nfs/dbraw/zinc/50/04/84/1091500484.db2.gz BJAZEPRIDCDNRE-UHFFFAOYSA-N 0 0 305.381 3.306 20 10 DGCDRN CCN(Cc1cn(Cc2ccccc2)nn1)Cc1ccccc1O ZINC001139491126 1091574518 /nfs/dbraw/zinc/57/45/18/1091574518.db2.gz RPVXJIPLADMFKA-UHFFFAOYSA-N 0 0 322.412 3.054 20 10 DGCDRN Cc1cc(CN2CC(Oc3ccccc3F)C2)ccc1N(C)C ZINC001139673149 1091639747 /nfs/dbraw/zinc/63/97/47/1091639747.db2.gz QITHJTFTCSWOTD-UHFFFAOYSA-N 0 0 314.404 3.463 20 10 DGCDRN [O-]c1c(F)ccc(F)c1C[NH+]1CCC2(CC(F)(F)CO2)CC1 ZINC001139681759 1091641292 /nfs/dbraw/zinc/64/12/92/1091641292.db2.gz WNKAKDYXTZRYOX-UHFFFAOYSA-N 0 0 319.298 3.061 20 10 DGCDRN Cc1cccnc1O[C@@H]1CC[N@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139688930 1091643139 /nfs/dbraw/zinc/64/31/39/1091643139.db2.gz DBNSGYJVELVUNK-GFCCVEGCSA-N 0 0 320.339 3.027 20 10 DGCDRN Cc1ccc(C(=O)NCCCc2cccc(Cl)c2)c(O)c1O ZINC001139738732 1091659909 /nfs/dbraw/zinc/65/99/09/1091659909.db2.gz CXKQEYPZHGTQGR-UHFFFAOYSA-N 0 0 319.788 3.422 20 10 DGCDRN Cc1cc2c(cn1)CN(Cc1c(O)cccc1Br)C2 ZINC001140101516 1091768284 /nfs/dbraw/zinc/76/82/84/1091768284.db2.gz XBXKOLZNRFXPAG-UHFFFAOYSA-N 0 0 319.202 3.374 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2cc(C)ccn2)C1 ZINC001206855382 1091771421 /nfs/dbraw/zinc/77/14/21/1091771421.db2.gz VNULTIYGQQPOFW-UHFFFAOYSA-N 0 0 321.424 3.449 20 10 DGCDRN C[C@@H](NC(=O)/C=C\c1ccc(C=O)cc1)c1ccc(N(C)C)cc1 ZINC001296649893 1091776466 /nfs/dbraw/zinc/77/64/66/1091776466.db2.gz VRKCLXRPFVDCFU-JEMSNHSXSA-N 0 0 322.408 3.456 20 10 DGCDRN Cc1nc([C@H]2CCCCN2Cc2c(C)ccc(C)c2O)no1 ZINC001140182484 1091793972 /nfs/dbraw/zinc/79/39/72/1091793972.db2.gz RMDUMEXQFJKCAW-OAHLLOKOSA-N 0 0 301.390 3.428 20 10 DGCDRN Cc1ccc(C)c(CN2CC[C@H]2N(C)C(=O)OC(C)(C)C)c1O ZINC001140184404 1091795433 /nfs/dbraw/zinc/79/54/33/1091795433.db2.gz SDAZCHGCULCTLZ-HNNXBMFYSA-N 0 0 320.433 3.408 20 10 DGCDRN CON(CC(C)(C)C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001140198365 1091798295 /nfs/dbraw/zinc/79/82/95/1091798295.db2.gz AUVKMPNIKUDUBE-UHFFFAOYSA-N 0 0 309.387 3.362 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@@H](CO)c1ccc(Cl)cc1 ZINC001206992428 1091814444 /nfs/dbraw/zinc/81/44/44/1091814444.db2.gz VASLIPARXHRCDH-AWEZNQCLSA-N 0 0 313.731 3.147 20 10 DGCDRN CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001140339927 1091833684 /nfs/dbraw/zinc/83/36/84/1091833684.db2.gz PDQGRAPGBWPAED-ZDUSSCGKSA-N 0 0 324.852 3.126 20 10 DGCDRN CC[C@H]1[N@H+](Cc2c(O)cccc2Cl)CCC[C@]12CCC(=O)N2 ZINC001140339270 1091833739 /nfs/dbraw/zinc/83/37/39/1091833739.db2.gz HEKKNUUSOQQXDZ-WBVHZDCISA-N 0 0 322.836 3.069 20 10 DGCDRN CC(C)(C)OC(=O)N1CCC=C(Nc2cccc(O)c2O)CC1 ZINC001203028591 1091841040 /nfs/dbraw/zinc/84/10/40/1091841040.db2.gz SPXJYMMRGPMVNM-UHFFFAOYSA-N 0 0 320.389 3.425 20 10 DGCDRN Cc1ccc(O[C@@H]2CC[N@H+](Cc3c([O-])cc(F)cc3F)C2)nc1 ZINC001140585497 1091921881 /nfs/dbraw/zinc/92/18/81/1091921881.db2.gz KMZSHUGDUOLRFP-CYBMUJFWSA-N 0 0 320.339 3.027 20 10 DGCDRN Cc1c(O)ccc(CN2CCc3nc(Cl)ccc3C2)c1O ZINC001140745947 1091983872 /nfs/dbraw/zinc/98/38/72/1091983872.db2.gz QJVMGCBBIREAAO-UHFFFAOYSA-N 0 0 304.777 3.013 20 10 DGCDRN Cc1c(O)ccc(CN2CCOC[C@H]2c2ccc(F)cc2)c1O ZINC001140749753 1091986111 /nfs/dbraw/zinc/98/61/11/1091986111.db2.gz LPZCANSTFVMNDC-INIZCTEOSA-N 0 0 317.360 3.119 20 10 DGCDRN Oc1cccc2c1CN(Cc1cc(Br)ccn1)CC2 ZINC001140766347 1091991428 /nfs/dbraw/zinc/99/14/28/1091991428.db2.gz HAQIEJWGKSBXMC-UHFFFAOYSA-N 0 0 319.202 3.108 20 10 DGCDRN COc1cc(O)c(C[N@@H+]2CCCC(F)(F)CC2)c(OC)c1 ZINC001141031455 1092113040 /nfs/dbraw/zinc/11/30/40/1092113040.db2.gz FIUWOLNFLMPSJM-UHFFFAOYSA-N 0 0 301.333 3.031 20 10 DGCDRN c1nc2c(s1)CN(Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141078152 1092131346 /nfs/dbraw/zinc/13/13/46/1092131346.db2.gz MXBFVODITUNNQU-UHFFFAOYSA-N 0 0 311.454 3.358 20 10 DGCDRN C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141145708 1092150319 /nfs/dbraw/zinc/15/03/19/1092150319.db2.gz YOVOLJKZARHSQA-OAHLLOKOSA-N 0 0 308.425 3.462 20 10 DGCDRN C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1Cl ZINC001141417803 1092236506 /nfs/dbraw/zinc/23/65/06/1092236506.db2.gz HPXFHNVHXOTVJC-JTQLQIEISA-N 0 0 305.761 3.171 20 10 DGCDRN C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@@H]1CCC[C@@H](C)C1 ZINC001142302196 1092463875 /nfs/dbraw/zinc/46/38/75/1092463875.db2.gz SAVWIXSXXFKIHG-TWRWCVTOSA-N 0 0 303.402 3.442 20 10 DGCDRN COC1CC(C(=O)N[C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)C1 ZINC001142570968 1092505854 /nfs/dbraw/zinc/50/58/54/1092505854.db2.gz UHFTZMFNTKNBIK-QWQCLYJRSA-N 0 0 317.429 3.174 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)[C@@H](F)Cc1ccccc1 ZINC001142728655 1092539166 /nfs/dbraw/zinc/53/91/66/1092539166.db2.gz ZGKQVNDYDFLAED-INIZCTEOSA-N 0 0 324.355 3.137 20 10 DGCDRN Cc1ccc(F)cc1C(=O)NCc1ccc2cccnc2c1O ZINC001142727598 1092539353 /nfs/dbraw/zinc/53/93/53/1092539353.db2.gz ASTUZZHNUSASKQ-UHFFFAOYSA-N 0 0 310.328 3.318 20 10 DGCDRN CC(C)(C)c1cccc(CN2CC(F)(F)CC[C@H]2CO)c1O ZINC001143104463 1092615349 /nfs/dbraw/zinc/61/53/49/1092615349.db2.gz SULLGIPPAIJLGK-ZDUSSCGKSA-N 0 0 313.388 3.282 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1cc(-c2ccccc2)ccn1 ZINC001150378985 1092774806 /nfs/dbraw/zinc/77/48/06/1092774806.db2.gz ZKSOBFXGQIGBQM-UHFFFAOYSA-N 0 0 320.348 3.090 20 10 DGCDRN CN1CCN(c2cccc(Nc3ccc4c(c3)OCCN4)c2)C1=O ZINC001209789356 1092924266 /nfs/dbraw/zinc/92/42/66/1092924266.db2.gz YCCZBPZNZDNSFO-UHFFFAOYSA-N 0 0 324.384 3.106 20 10 DGCDRN CC1(C)C(=O)NCc2cccc(Nc3ccc4c(c3)OCCN4)c21 ZINC001209792276 1092925170 /nfs/dbraw/zinc/92/51/70/1092925170.db2.gz LNTRNJQKBPPVDP-UHFFFAOYSA-N 0 0 323.396 3.142 20 10 DGCDRN COc1ccc(C(=O)c2ccccc2Nc2ccnnc2)cc1 ZINC001209960139 1092994367 /nfs/dbraw/zinc/99/43/67/1092994367.db2.gz LCLWYDHSZBWTOI-UHFFFAOYSA-N 0 0 305.337 3.460 20 10 DGCDRN Nc1ccc(NC(=O)Nc2ccc(Nc3ccnnc3)cc2)cc1 ZINC001209961801 1092996632 /nfs/dbraw/zinc/99/66/32/1092996632.db2.gz NEWMJMAHQUCQAT-UHFFFAOYSA-N 0 0 320.356 3.446 20 10 DGCDRN CN(C1=CCC(C)(C)CC1)S(=O)(=O)CCc1ccc(N)cc1 ZINC001210166353 1093065721 /nfs/dbraw/zinc/06/57/21/1093065721.db2.gz SWAIGNMVJQXVDK-UHFFFAOYSA-N 0 0 322.474 3.167 20 10 DGCDRN COc1ccc2nccc(Nc3cccc(Cl)c3O)c2n1 ZINC001210220706 1093084167 /nfs/dbraw/zinc/08/41/67/1093084167.db2.gz PVHSJJRMFDUYKI-UHFFFAOYSA-N 0 0 301.733 3.163 20 10 DGCDRN CCc1cccc(C)c1N(c1ccc(N)cc1)S(C)(=O)=O ZINC001210875116 1093308315 /nfs/dbraw/zinc/30/83/15/1093308315.db2.gz SAQPOEDPXPOHBF-UHFFFAOYSA-N 0 0 304.415 3.237 20 10 DGCDRN CC(C)c1ccc(S(=O)(=O)N2Cc3cccc(O)c3C2)cc1 ZINC001213481759 1093593862 /nfs/dbraw/zinc/59/38/62/1093593862.db2.gz PITABPHIWNFJHR-UHFFFAOYSA-N 0 0 317.410 3.220 20 10 DGCDRN C[C@@H](NC(=O)Nc1ccc2oc(=O)ccc2c1)c1ccccc1O ZINC001214945615 1093886461 /nfs/dbraw/zinc/88/64/61/1093886461.db2.gz PHBPYLJNNQCCML-LLVKDONJSA-N 0 0 324.336 3.381 20 10 DGCDRN Oc1cccc(-c2nc(-c3ccc(-n4cccn4)cc3)no2)c1O ZINC001215145872 1093927072 /nfs/dbraw/zinc/92/70/72/1093927072.db2.gz OFCONAXLFZPGON-UHFFFAOYSA-N 0 0 320.308 3.001 20 10 DGCDRN Cc1ccc(-c2noc(-c3cccc(O)c3O)n2)c(F)c1F ZINC001215145757 1093927135 /nfs/dbraw/zinc/92/71/35/1093927135.db2.gz HJOIHHSLLMSIDE-UHFFFAOYSA-N 0 0 304.252 3.401 20 10 DGCDRN CC(=O)c1ccc(F)c(-c2noc(-c3cccc(O)c3O)n2)c1 ZINC001215145897 1093927193 /nfs/dbraw/zinc/92/71/93/1093927193.db2.gz PYARLBATSQLZDF-UHFFFAOYSA-N 0 0 314.272 3.157 20 10 DGCDRN Oc1cccc(-c2nc(-c3cccc4cccnc43)no2)c1O ZINC001215145871 1093927406 /nfs/dbraw/zinc/92/74/06/1093927406.db2.gz ODUZEYKLMAUSDK-UHFFFAOYSA-N 0 0 305.293 3.363 20 10 DGCDRN Oc1ccc(-c2nc(-c3cccc(OC(F)F)c3)no2)cc1O ZINC001215304569 1093955960 /nfs/dbraw/zinc/95/59/60/1093955960.db2.gz SBWWMQGGQNQDOE-UHFFFAOYSA-N 0 0 320.251 3.416 20 10 DGCDRN Cc1ccc(-c2noc(-c3ccc(O)c(O)c3)n2)c(F)c1F ZINC001215304238 1093956051 /nfs/dbraw/zinc/95/60/51/1093956051.db2.gz HUONTKRMDWGYDF-UHFFFAOYSA-N 0 0 304.252 3.401 20 10 DGCDRN Oc1ccc(-c2nc(-c3cccc(Cl)c3)no2)c(O)c1O ZINC001215325292 1093960393 /nfs/dbraw/zinc/96/03/93/1093960393.db2.gz KSPAOUMXYRPJJQ-UHFFFAOYSA-N 0 0 304.689 3.174 20 10 DGCDRN Cc1ccc(-c2noc(-c3ccc(O)c(O)c3O)n2)cc1Cl ZINC001215325128 1093960829 /nfs/dbraw/zinc/96/08/29/1093960829.db2.gz CJOIEULJKPWWMC-UHFFFAOYSA-N 0 0 318.716 3.482 20 10 DGCDRN Cc1cc(F)c(F)cc1-c1noc(-c2cc(O)c(O)c(O)c2)n1 ZINC001215327852 1093962005 /nfs/dbraw/zinc/96/20/05/1093962005.db2.gz WOSRHQJCVBPCAH-UHFFFAOYSA-N 0 0 320.251 3.107 20 10 DGCDRN COc1cc(-c2nc(-c3cccc(F)c3F)no2)cc(O)c1O ZINC001216944307 1094282296 /nfs/dbraw/zinc/28/22/96/1094282296.db2.gz MTOBJVGICWWWDX-UHFFFAOYSA-N 0 0 320.251 3.102 20 10 DGCDRN Cc1cc(C)c(-c2noc(-c3ccc(O)c(O)c3Cl)n2)cn1 ZINC001216953131 1094283327 /nfs/dbraw/zinc/28/33/27/1094283327.db2.gz BWUKISRZBGOOHU-UHFFFAOYSA-N 0 0 317.732 3.480 20 10 DGCDRN Nc1ccc(CN2CCO[C@H](c3ccccc3Cl)C2)cc1 ZINC001120262862 1094396906 /nfs/dbraw/zinc/39/69/06/1094396906.db2.gz FUGYRIWLRFXXCW-KRWDZBQOSA-N 0 0 302.805 3.496 20 10 DGCDRN COc1ccc(-c2noc(-c3cc4cc(O)c(O)cc4[nH]3)n2)cc1 ZINC001217471855 1094419184 /nfs/dbraw/zinc/41/91/84/1094419184.db2.gz YOLTXKYKSDBYQF-UHFFFAOYSA-N 0 0 323.308 3.305 20 10 DGCDRN CC(C)[C@@H](CC(F)(F)F)NC(=O)NCc1ccc(N)cc1 ZINC001120531197 1094449746 /nfs/dbraw/zinc/44/97/46/1094449746.db2.gz BTCYQRXTOJXCPK-GFCCVEGCSA-N 0 0 303.328 3.045 20 10 DGCDRN CC(C)(Cc1ccc(O)cc1)C(=O)NCc1c(O)cccc1F ZINC001120697499 1094496186 /nfs/dbraw/zinc/49/61/86/1094496186.db2.gz QQCIAYNMNBKGJC-UHFFFAOYSA-N 0 0 317.360 3.122 20 10 DGCDRN C[C@@H](NC(=O)NC[C@H]1CCc2ccccc21)c1ccccc1O ZINC001336398851 1094640592 /nfs/dbraw/zinc/64/05/92/1094640592.db2.gz BANRFSROILSTEC-UKRRQHHQSA-N 0 0 310.397 3.482 20 10 DGCDRN O=C1C=CC(=NNc2ccccc2)C(O[C@H]2CCNC(=O)C2)=C1 ZINC001218210245 1094661733 /nfs/dbraw/zinc/66/17/33/1094661733.db2.gz WVZFYVJWLZWVLN-YISVQYQQSA-N 0 0 311.341 3.465 20 10 DGCDRN C[C@H]1CCN(c2nnc(C3SC=CC3=O)n2C)CC12CCC2 ZINC001121366520 1094671322 /nfs/dbraw/zinc/67/13/22/1094671322.db2.gz QDTZQLZNGNVWGD-NSHDSACASA-N 0 0 318.446 3.266 20 10 DGCDRN CC[C@@H](O)[C@@H](C)C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001170857009 1094711223 /nfs/dbraw/zinc/71/12/23/1094711223.db2.gz FEFDXQNJNVTJHR-RDTXWAMCSA-N 0 0 314.429 3.117 20 10 DGCDRN COc1ccc(N2CCN(c3cc(Cl)ccn3)CC2)cc1 ZINC001336947536 1094791315 /nfs/dbraw/zinc/79/13/15/1094791315.db2.gz RHWLZWOBUMEJQZ-UHFFFAOYSA-N 0 0 303.793 3.070 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCC(Oc2ccccc2)CC1 ZINC001337007667 1094812479 /nfs/dbraw/zinc/81/24/79/1094812479.db2.gz JUJYDFZUGJIBMB-UHFFFAOYSA-N 0 0 303.383 3.137 20 10 DGCDRN C[C@@H](CC(F)(F)F)NC(=O)NCc1cccc(Cl)c1O ZINC001121916113 1094824885 /nfs/dbraw/zinc/82/48/85/1094824885.db2.gz PXWAOIASEOYIMM-ZETCQYMHSA-N 0 0 310.703 3.186 20 10 DGCDRN C[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@H]2CCCC[C@@H]12 ZINC001136200043 1094942739 /nfs/dbraw/zinc/94/27/39/1094942739.db2.gz OYTOETMEQXMUFH-SNPRPXQTSA-N 0 0 303.402 3.068 20 10 DGCDRN C=C(N)C(=O)Nc1ccc(/C=C/c2ccc(N(C)C)cc2)cc1 ZINC001219204325 1094951887 /nfs/dbraw/zinc/95/18/87/1094951887.db2.gz ZAVFUJNKPCMEPZ-SNAWJCMRSA-N 0 0 307.397 3.334 20 10 DGCDRN C[C@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)c1ccc(F)cc1[O-] ZINC000316334592 1095169228 /nfs/dbraw/zinc/16/92/28/1095169228.db2.gz CEVZFRPJCBYEIY-BLLLJJGKSA-N 0 0 305.397 3.493 20 10 DGCDRN C[C@H](Nc1ccc2c(c1)NC(=O)CO2)c1cc(F)ccc1O ZINC000316375735 1095171993 /nfs/dbraw/zinc/17/19/93/1095171993.db2.gz AXVJSTXXJCAWPI-VIFPVBQESA-N 0 0 302.305 3.035 20 10 DGCDRN Cn1c(C2SC=CC2=O)nnc1N1CCC[C@@H](C2CCC2)C1 ZINC001338087671 1095185736 /nfs/dbraw/zinc/18/57/36/1095185736.db2.gz NRJCUIKLPQEIHS-GFCCVEGCSA-N 0 0 318.446 3.266 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1ccc(Cl)cn1)CCC2 ZINC001136931549 1095240644 /nfs/dbraw/zinc/24/06/44/1095240644.db2.gz GWBYVNRPJYSIRE-UHFFFAOYSA-N 0 0 304.777 3.095 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)C[C@H]3C=CCC3)CC2)cc1 ZINC001338308832 1095258058 /nfs/dbraw/zinc/25/80/58/1095258058.db2.gz FBISWPRCYUSAQI-HNNXBMFYSA-N 0 0 314.429 3.137 20 10 DGCDRN CC[C@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)[C@@H]1C ZINC001221545869 1095298567 /nfs/dbraw/zinc/29/85/67/1095298567.db2.gz XVMZYWLBVXYEOE-OCCSQVGLSA-N 0 0 307.413 3.222 20 10 DGCDRN C[C@@H](NC(=O)/C=C/c1nccs1)c1ccc(N(C)C)cc1 ZINC001123737358 1095415451 /nfs/dbraw/zinc/41/54/51/1095415451.db2.gz AYDWFVLRJAZCRK-IDVQTMNDSA-N 0 0 301.415 3.100 20 10 DGCDRN CCc1nnc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)[nH]1 ZINC001116290725 1095505763 /nfs/dbraw/zinc/50/57/63/1095505763.db2.gz PEINALLWKRRHDM-UHFFFAOYSA-N 0 0 323.400 3.335 20 10 DGCDRN CC(C)OC(=O)[C@@H]1CCCN1Cc1ccc(N2CCCC2)cc1 ZINC001116445508 1095556719 /nfs/dbraw/zinc/55/67/19/1095556719.db2.gz PARYWAJAULSBJK-SFHVURJKSA-N 0 0 316.445 3.203 20 10 DGCDRN CCC[N@H+](CCOC)Cc1cc(Br)c(F)cc1[O-] ZINC001144298465 1095591166 /nfs/dbraw/zinc/59/11/66/1095591166.db2.gz DNCHOMMLVIQIPY-UHFFFAOYSA-N 0 0 320.202 3.152 20 10 DGCDRN O[C@H]1Cc2ccccc2N(Cc2ccc(N3CCCC3)cc2)C1 ZINC001339476262 1095636069 /nfs/dbraw/zinc/63/60/69/1095636069.db2.gz VKXGEFDXWXWJFC-IBGZPJMESA-N 0 0 308.425 3.210 20 10 DGCDRN C[C@H](NC(=O)c1nccc(Cl)c1F)c1ccc(N(C)C)cc1 ZINC001116701608 1095639397 /nfs/dbraw/zinc/63/93/97/1095639397.db2.gz CLTBKCJOQACQEM-JTQLQIEISA-N 0 0 321.783 3.431 20 10 DGCDRN C=Cc1cnc(NCc2cc(Br)ccc2O)nc1 ZINC001171174455 1095643742 /nfs/dbraw/zinc/64/37/42/1095643742.db2.gz UUAXPJZWIXTMDA-UHFFFAOYSA-N 0 0 306.163 3.200 20 10 DGCDRN CCC[C@@H]1CCCN(c2nnc(C3SC=CC3=O)n2C)C1 ZINC001339572199 1095660628 /nfs/dbraw/zinc/66/06/28/1095660628.db2.gz HESZIRUDMQLYHZ-LLVKDONJSA-N 0 0 306.435 3.266 20 10 DGCDRN Cc1ccc(CNC(=O)NCc2cccc(Cl)c2O)s1 ZINC001222546422 1095661867 /nfs/dbraw/zinc/66/18/67/1095661867.db2.gz KXYSESBBGUBEBO-UHFFFAOYSA-N 0 0 310.806 3.415 20 10 DGCDRN CC(C)(C)OC(=O)NC1CC[NH+](Cc2c([O-])cccc2F)CC1 ZINC001137831626 1095755870 /nfs/dbraw/zinc/75/58/70/1095755870.db2.gz HYMBLOSGACTHOZ-UHFFFAOYSA-N 0 0 324.396 3.020 20 10 DGCDRN Cc1ccccc1O[C@H]1CC[N@H+](Cc2c([O-])cccc2F)C1 ZINC001137837540 1095758967 /nfs/dbraw/zinc/75/89/67/1095758967.db2.gz KYHZURFYZUIMOY-AWEZNQCLSA-N 0 0 301.361 3.493 20 10 DGCDRN CC(C)(C)CCCCCC(=O)NCCc1cc(O)c(O)cc1O ZINC001144682825 1095765712 /nfs/dbraw/zinc/76/57/12/1095765712.db2.gz WPQVOSJZXLUZCC-UHFFFAOYSA-N 0 0 323.433 3.459 20 10 DGCDRN Cc1cc(CN2CCc3c(ncn3C)C2)c(C)n1-c1ccccc1 ZINC001137859363 1095768782 /nfs/dbraw/zinc/76/87/82/1095768782.db2.gz VGUCXTJGXKYRFK-UHFFFAOYSA-N 0 0 320.440 3.386 20 10 DGCDRN CCN(Cc1cc(C)n(-c2ccccc2)c1C)[C@@H](C)C(=O)OC ZINC001137859305 1095769715 /nfs/dbraw/zinc/76/97/15/1095769715.db2.gz SGGBNIYIFGVAJA-INIZCTEOSA-N 0 0 314.429 3.478 20 10 DGCDRN Cc1cc(CN2CC[C@H](O)C(F)(F)C2)c(C)n1-c1ccccc1 ZINC001137857676 1095769858 /nfs/dbraw/zinc/76/98/58/1095769858.db2.gz KHPJZIBGDQFZCA-KRWDZBQOSA-N 0 0 320.383 3.296 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)c1ccc2c(c1)COC2 ZINC001117546976 1095780657 /nfs/dbraw/zinc/78/06/57/1095780657.db2.gz DMYCBFRDGIOOJV-UHFFFAOYSA-N 0 0 315.716 3.159 20 10 DGCDRN CNC(=O)Cc1ccccc1NCc1ccc2ccccc2c1O ZINC001117721314 1095815375 /nfs/dbraw/zinc/81/53/75/1095815375.db2.gz NIFNTKOLLAKHBD-UHFFFAOYSA-N 0 0 320.392 3.446 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)NCCc1cccc2ccccc21 ZINC001144870044 1095874985 /nfs/dbraw/zinc/87/49/85/1095874985.db2.gz FKFCHQJTMZYDPO-UHFFFAOYSA-N 0 0 321.376 3.152 20 10 DGCDRN C[C@H](NC(=O)c1cccc(O)c1O)c1ccc2c(c1)CCCC2 ZINC001138096274 1095878107 /nfs/dbraw/zinc/87/81/07/1095878107.db2.gz BNKAVOQXKINEIE-LBPRGKRZSA-N 0 0 311.381 3.468 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2cccc(F)c2[O-])CCC[C@@]1(O)C(F)(F)F ZINC001138122679 1095894803 /nfs/dbraw/zinc/89/48/03/1095894803.db2.gz UMUHVDMDANYVIL-YGRLFVJLSA-N 0 0 321.314 3.057 20 10 DGCDRN Cc1cccc(O[C@H]2CCC[N@H+](Cc3cccc(F)c3[O-])C2)n1 ZINC001138130775 1095899703 /nfs/dbraw/zinc/89/97/03/1095899703.db2.gz HVKBQDJSIAEWKI-HNNXBMFYSA-N 0 0 316.376 3.278 20 10 DGCDRN C[N@H+](Cc1cn(CC(=O)[O-])c2ccccc12)Cc1ccccc1O ZINC001138195703 1095921255 /nfs/dbraw/zinc/92/12/55/1095921255.db2.gz AUKNRRYMDHRJOD-UHFFFAOYSA-N 0 0 324.380 3.064 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCC[C@@H](F)C2)cc1 ZINC001118127691 1095939771 /nfs/dbraw/zinc/93/97/71/1095939771.db2.gz MSYGHUBNTNAHBZ-CABCVRRESA-N 0 0 307.413 3.175 20 10 DGCDRN CC(C)[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1F ZINC001146406052 1096032469 /nfs/dbraw/zinc/03/24/69/1096032469.db2.gz CHNIKRYYJIAGER-SFHVURJKSA-N 0 0 317.360 3.293 20 10 DGCDRN COc1ccc(C[C@H](C)N(C)C(=O)C2=CC(=O)CS2)cc1 ZINC001118556126 1096034472 /nfs/dbraw/zinc/03/44/72/1096034472.db2.gz UFPZJNLNVQBOAY-NSHDSACASA-N 0 0 305.399 3.166 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cccc2c1CCN2 ZINC001340822146 1096043838 /nfs/dbraw/zinc/04/38/38/1096043838.db2.gz MVENDIBMCXEQTB-UHFFFAOYSA-N 0 0 321.424 3.185 20 10 DGCDRN O=C(N[C@@H]1CCC[C@H](F)C1)c1cc2cc(O)c(O)cc2s1 ZINC001119562714 1096226319 /nfs/dbraw/zinc/22/63/19/1096226319.db2.gz WUCGNKWVGLOEMG-VHSXEESVSA-N 0 0 309.362 3.323 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ncoc2-c2ccccc2)c1 ZINC001147957575 1096297597 /nfs/dbraw/zinc/29/75/97/1096297597.db2.gz TUSCQEUPRRKYBR-UHFFFAOYSA-N 0 0 308.337 3.286 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N[C@@H]3CCCC[C@@H]3F)ccc21 ZINC001225137886 1096352675 /nfs/dbraw/zinc/35/26/75/1096352675.db2.gz BQTVMCQLBAQLJB-JKSUJKDBSA-N 0 0 319.424 3.149 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCc2c(F)cccc2Cl)c1 ZINC001225251238 1096374533 /nfs/dbraw/zinc/37/45/33/1096374533.db2.gz UQLJKCRYNOYUIJ-UHFFFAOYSA-N 0 0 322.767 3.493 20 10 DGCDRN O=C(Nc1ccc2c3c(cccc31)CC2)c1cc(O)c(O)c(O)c1 ZINC001148586765 1096407375 /nfs/dbraw/zinc/40/73/75/1096407375.db2.gz XFDGYKRUDFZLPZ-UHFFFAOYSA-N 0 0 321.332 3.308 20 10 DGCDRN O=C(N[C@H](C1CCCCC1)C(F)(F)F)c1cccc(O)c1O ZINC001148898509 1096463557 /nfs/dbraw/zinc/46/35/57/1096463557.db2.gz DXOPNWCSRHDUED-CYBMUJFWSA-N 0 0 317.307 3.339 20 10 DGCDRN [O-][n+]1ccc(Cl)cc1NCc1cc2ccccc2cc1O ZINC001171399753 1096659540 /nfs/dbraw/zinc/65/95/40/1096659540.db2.gz KQFKNYKTXQVVFZ-UHFFFAOYSA-N 0 0 300.745 3.444 20 10 DGCDRN Cn1cnc2ccnc(NCc3cc4ccccc4cc3O)c21 ZINC001171400723 1096668256 /nfs/dbraw/zinc/66/82/56/1096668256.db2.gz YQDSALOGIJFCFY-UHFFFAOYSA-N 0 0 304.353 3.439 20 10 DGCDRN O=C1c2cccc(O)c2C(=O)c2c(O[C@H]3C=CCC3)cccc21 ZINC001226380513 1096675388 /nfs/dbraw/zinc/67/53/88/1096675388.db2.gz XLTDRNJBKRVAHP-NSHDSACASA-N 0 0 306.317 3.265 20 10 DGCDRN CC(C)Cn1cc(NCc2cc3ccccc3cc2O)ncc1=O ZINC001171406986 1096676252 /nfs/dbraw/zinc/67/62/52/1096676252.db2.gz IIYDPUCQLQUKSK-UHFFFAOYSA-N 0 0 323.396 3.370 20 10 DGCDRN CCC[C@H](Oc1c(O)c(O)c(O)c(O)c1O)c1ccccc1 ZINC001226467237 1096696923 /nfs/dbraw/zinc/69/69/23/1096696923.db2.gz GDZDTRDWDNNTPU-JTQLQIEISA-N 0 0 306.314 3.135 20 10 DGCDRN O=C1OC[C@H](COC2=CC(=O)C=CC2=NNc2ccccn2)O1 ZINC001227490349 1096940371 /nfs/dbraw/zinc/94/03/71/1096940371.db2.gz VPKOHGKCCQHJNI-SHYALIGYSA-N 0 0 315.285 3.117 20 10 DGCDRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Oc1ccc(N(C)C)cc1 ZINC001227940569 1097017370 /nfs/dbraw/zinc/01/73/70/1097017370.db2.gz MNOQLJPTWOOSBK-CJNGLKHVSA-N 0 0 320.433 3.387 20 10 DGCDRN COC(=O)[C@H](Oc1ccc(N(C)C)cc1)c1ccccc1F ZINC001227939131 1097017501 /nfs/dbraw/zinc/01/75/01/1097017501.db2.gz MRCPDLIAWHECHR-MRXNPFEDSA-N 0 0 303.333 3.185 20 10 DGCDRN C[C@@H]1COCC[C@@H]1Oc1cccc2c1C(=O)c1ccccc1C2=O ZINC001228078334 1097046861 /nfs/dbraw/zinc/04/68/61/1097046861.db2.gz GYCSUJAUJQWEEC-WBMJQRKESA-N 0 0 322.360 3.266 20 10 DGCDRN CC(=O)N1CCN(c2ccc(O[C@@H]3CCC[C@@H](C)C3)cc2)CC1 ZINC001228202951 1097073014 /nfs/dbraw/zinc/07/30/14/1097073014.db2.gz XRHRPUMVAYSERL-DNVCBOLYSA-N 0 0 316.445 3.313 20 10 DGCDRN CC(=O)N1CCN(c2ccc(O[C@H]3CC[C@H](C)CC3)cc2)CC1 ZINC001228201370 1097073160 /nfs/dbraw/zinc/07/31/60/1097073160.db2.gz MSJHNAFKOGZEOX-RZDIXWSQSA-N 0 0 316.445 3.313 20 10 DGCDRN Nc1ccc(N(CCO)c2ccc(C3CCOCC3)cc2)cc1 ZINC001212653276 1097094348 /nfs/dbraw/zinc/09/43/48/1097094348.db2.gz LDUKPQYNFSMACK-UHFFFAOYSA-N 0 0 312.413 3.293 20 10 DGCDRN CCOCC[C@@H](C)[NH2+]Cc1cc(Cl)c2cccnc2c1[O-] ZINC001172409880 1097131584 /nfs/dbraw/zinc/13/15/84/1097131584.db2.gz ARWIWWZKQLWGEP-LLVKDONJSA-N 0 0 308.809 3.499 20 10 DGCDRN CC(=O)c1ccc(-c2noc(-c3nnsc3C3CC3)n2)cc1 ZINC001212679801 1097228922 /nfs/dbraw/zinc/22/89/22/1097228922.db2.gz VNWVUMVZBZDKNS-UHFFFAOYSA-N 0 0 312.354 3.335 20 10 DGCDRN COc1ccc(-c2noc(-c3nnsc3C(C)C)n2)cc1 ZINC001212687371 1097259992 /nfs/dbraw/zinc/25/99/92/1097259992.db2.gz PKMAOIOYKIRQPC-UHFFFAOYSA-N 0 0 302.359 3.387 20 10 DGCDRN O=C(NCc1c(O)cccc1F)N[C@H]1C[C@H]1C1CCCCC1 ZINC001229184408 1097272748 /nfs/dbraw/zinc/27/27/48/1097272748.db2.gz FDNCLHRUOCISCY-WFASDCNBSA-N 0 0 306.381 3.299 20 10 DGCDRN CN1CCC12CN(Cc1cc(Cl)c(C(C)(C)C)cc1O)C2 ZINC001277409168 1097362969 /nfs/dbraw/zinc/36/29/69/1097362969.db2.gz GQIKGIDWNMGGDT-UHFFFAOYSA-N 0 0 308.853 3.233 20 10 DGCDRN Cc1c(O)cc2c(c1OC1CCC1)C(=O)c1ccccc1C2=O ZINC001229829225 1097394841 /nfs/dbraw/zinc/39/48/41/1097394841.db2.gz OUGKOEGATNJFFS-UHFFFAOYSA-N 0 0 308.333 3.407 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC1(C(C)C)CC1 ZINC001230194638 1097456114 /nfs/dbraw/zinc/45/61/14/1097456114.db2.gz DAYBDXSSVRRZMS-HNNXBMFYSA-N 0 0 317.477 3.480 20 10 DGCDRN Cc1cc(C)c(N(C)S(=O)(=O)Cc2ccc(N)cc2)c(C)c1 ZINC001173842759 1097517515 /nfs/dbraw/zinc/51/75/15/1097517515.db2.gz FETBEPZDDRGERE-UHFFFAOYSA-N 0 0 318.442 3.160 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)N[C@@H](C)CC(C)C)cc1 ZINC001230707603 1097560669 /nfs/dbraw/zinc/56/06/69/1097560669.db2.gz ZFEVLZRQUIKTIC-HNNXBMFYSA-N 0 0 321.465 3.207 20 10 DGCDRN COc1ncc(Nc2ccccc2C(=O)c2ccccc2)cn1 ZINC001174034188 1097594449 /nfs/dbraw/zinc/59/44/49/1097594449.db2.gz ZFHYNXGEWBMKPA-UHFFFAOYSA-N 0 0 305.337 3.460 20 10 DGCDRN COc1cc(Nc2ccccc2C(=O)c2ccncc2)ccn1 ZINC001174308436 1097672138 /nfs/dbraw/zinc/67/21/38/1097672138.db2.gz YKLYYRFCMYJVDG-UHFFFAOYSA-N 0 0 305.337 3.460 20 10 DGCDRN O=C1CCCC[C@H]1Oc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001231265407 1097708185 /nfs/dbraw/zinc/70/81/85/1097708185.db2.gz DOZJZGVOHKAASO-GOSISDBHSA-N 0 0 320.344 3.353 20 10 DGCDRN O=C1CCCC[C@@H]1Oc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001231265408 1097708643 /nfs/dbraw/zinc/70/86/43/1097708643.db2.gz DOZJZGVOHKAASO-SFHVURJKSA-N 0 0 320.344 3.353 20 10 DGCDRN CC[C@@H](O)C(=O)Oc1ccc(NN=C2C=CC(=O)C=C2)cc1 ZINC001231318801 1097720973 /nfs/dbraw/zinc/72/09/73/1097720973.db2.gz DDXXSZPEZIVNPQ-OAHLLOKOSA-N 0 0 300.314 3.484 20 10 DGCDRN C[C@@H](Oc1cc(O)ccc1C(=O)c1ccc(O)c(O)c1)C1CC1 ZINC001231342847 1097725751 /nfs/dbraw/zinc/72/57/51/1097725751.db2.gz YMKNMDUOFMZBFN-SNVBAGLBSA-N 0 0 314.337 3.212 20 10 DGCDRN O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)c(O)c1 ZINC001231451840 1097751718 /nfs/dbraw/zinc/75/17/18/1097751718.db2.gz WPESBVQNUGIIPW-MRXNPFEDSA-N 0 0 311.381 3.470 20 10 DGCDRN CCn1cc(-n2c(=N)ccc(/N=N/c3ccccc3)c2N)cn1 ZINC001174566860 1097779646 /nfs/dbraw/zinc/77/96/46/1097779646.db2.gz HDXVAUSMOXQOOO-VGPZOTPTSA-N 0 0 307.361 3.171 20 10 DGCDRN CC1(C)CCC2(CC[NH+](Cc3cc(C(=O)[O-])ccc3O)CC2)O1 ZINC001231566778 1097780880 /nfs/dbraw/zinc/78/08/80/1097780880.db2.gz QYTFXVFSVXXBCP-UHFFFAOYSA-N 0 0 319.401 3.014 20 10 DGCDRN COc1cc(CN(C)Cc2cccc(F)c2F)c(O)cc1O ZINC001231638451 1097797965 /nfs/dbraw/zinc/79/79/65/1097797965.db2.gz BMNYPVIGAQULMN-UHFFFAOYSA-N 0 0 309.312 3.017 20 10 DGCDRN Cc1cc(Nc2ccc(C(=O)Oc3ccc(N)cc3)cc2)n(C)n1 ZINC001174830724 1097850603 /nfs/dbraw/zinc/85/06/03/1097850603.db2.gz IUFQBGDQZSXOEG-UHFFFAOYSA-N 0 0 322.368 3.274 20 10 DGCDRN Cc1cc(C)c(CN2C[C@H](CO)CC[C@@H]2C(F)(F)F)c(O)c1 ZINC001231843362 1097860713 /nfs/dbraw/zinc/86/07/13/1097860713.db2.gz WWVUYEOSXOVXRW-IUODEOHRSA-N 0 0 317.351 3.144 20 10 DGCDRN COc1cc(N(C)C)ccc1CN1CCC[C@@H]1c1cc(C)on1 ZINC001231848056 1097863404 /nfs/dbraw/zinc/86/34/04/1097863404.db2.gz FSZBLWXWNVUZSC-QGZVFWFLSA-N 0 0 315.417 3.395 20 10 DGCDRN COCc1noc2c1CN(Cc1cc(Cl)c(C)cc1O)CC2 ZINC001231868598 1097869172 /nfs/dbraw/zinc/86/91/72/1097869172.db2.gz VQBAMCDAPOFSSI-UHFFFAOYSA-N 0 0 322.792 3.047 20 10 DGCDRN CCC[N@H+](Cc1cccc(Cl)c1[O-])C1CCN(C(C)=O)CC1 ZINC001231912619 1097889381 /nfs/dbraw/zinc/88/93/81/1097889381.db2.gz RWYXMGLIXVIHIZ-UHFFFAOYSA-N 0 0 324.852 3.269 20 10 DGCDRN Cc1ccc(Cl)cc1OCC(=O)N1Cc2cccc(O)c2C1 ZINC001175037097 1097925822 /nfs/dbraw/zinc/92/58/22/1097925822.db2.gz CGIIOSLEYPYXSH-UHFFFAOYSA-N 0 0 317.772 3.275 20 10 DGCDRN Cc1cc(=O)[nH]c2cc(C(=O)N3Cc4cccc(O)c4C3)ccc12 ZINC001175039277 1097926932 /nfs/dbraw/zinc/92/69/32/1097926932.db2.gz WKXYNLLGLMPVLJ-UHFFFAOYSA-N 0 0 320.348 3.110 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1nc(Cl)ccc1F)CCC2 ZINC001232162950 1097955040 /nfs/dbraw/zinc/95/50/40/1097955040.db2.gz VZUMGJTWWDZMSU-UHFFFAOYSA-N 0 0 322.767 3.234 20 10 DGCDRN Oc1cc(O)c(CN2CCOC3(CCCCC3)C2)cc1Cl ZINC001232262760 1097985259 /nfs/dbraw/zinc/98/52/59/1097985259.db2.gz OUSVUHYPDCWSPP-UHFFFAOYSA-N 0 0 311.809 3.286 20 10 DGCDRN Oc1cc(O)c(CN2CCN(c3ccccc3)CC2)cc1Cl ZINC001232258736 1097985350 /nfs/dbraw/zinc/98/53/50/1097985350.db2.gz MQVNQWIOVHBTGS-UHFFFAOYSA-N 0 0 318.804 3.073 20 10 DGCDRN COc1cc(O)c(CN2CC(F)(F)C[C@H]2CF)cc1Cl ZINC001232265750 1097986728 /nfs/dbraw/zinc/98/67/28/1097986728.db2.gz FHUYTBLYFRPJDR-VIFPVBQESA-N 0 0 309.715 3.233 20 10 DGCDRN Oc1cc(O)c(CN2CC(OCc3ccccc3)C2)cc1Cl ZINC001232266856 1097986934 /nfs/dbraw/zinc/98/69/34/1097986934.db2.gz DYIGPORYYVSEHG-UHFFFAOYSA-N 0 0 319.788 3.152 20 10 DGCDRN COc1cc(O)c(C[N@H+](C)Cc2ccccc2O)cc1Cl ZINC001232267814 1097988670 /nfs/dbraw/zinc/98/86/70/1097988670.db2.gz GZXNCYMWCCANPW-UHFFFAOYSA-N 0 0 307.777 3.392 20 10 DGCDRN CCOc1ncc(Nc2ccccc2C(=O)c2ccncc2)cn1 ZINC001175561291 1098099002 /nfs/dbraw/zinc/09/90/02/1098099002.db2.gz ZQZZZMLATGXKBU-UHFFFAOYSA-N 0 0 320.352 3.245 20 10 DGCDRN Oc1cc(CN2CCC[C@@H]2c2ccc(F)cc2F)cc(O)c1O ZINC001233015336 1098203871 /nfs/dbraw/zinc/20/38/71/1098203871.db2.gz KUVOKCQLPNIDTH-CQSZACIVSA-N 0 0 321.323 3.419 20 10 DGCDRN COc1ccccc1[C@H]1CCCN1Cc1cc(O)c(O)c(O)c1 ZINC001233014082 1098204168 /nfs/dbraw/zinc/20/41/68/1098204168.db2.gz YIJFKOWLNLIISX-CQSZACIVSA-N 0 0 315.369 3.149 20 10 DGCDRN C[C@]1(CF)CC[N@H+](Cc2c([O-])cc(Br)cc2F)C1 ZINC001233029137 1098207172 /nfs/dbraw/zinc/20/71/72/1098207172.db2.gz ZOEFUXGWDRKVMV-CYBMUJFWSA-N 0 0 320.177 3.475 20 10 DGCDRN [O-]c1c(CN2CCCC[C@H]2C[NH+]2CCCC2)ccc(F)c1F ZINC001233077338 1098219278 /nfs/dbraw/zinc/21/92/78/1098219278.db2.gz JVCMPRZLWRCBKU-AWEZNQCLSA-N 0 0 310.388 3.121 20 10 DGCDRN COc1ccncc1Nc1ccccc1C(=O)c1ccncc1 ZINC001176124134 1098266185 /nfs/dbraw/zinc/26/61/85/1098266185.db2.gz IJULARCFEWVNJE-UHFFFAOYSA-N 0 0 305.337 3.460 20 10 DGCDRN CCOC(=O)c1c(CN2CCC(F)(F)C2)c2ccccc2n1C ZINC001233270663 1098270060 /nfs/dbraw/zinc/27/00/60/1098270060.db2.gz VQTYOKRUXLQHBJ-UHFFFAOYSA-N 0 0 322.355 3.196 20 10 DGCDRN CCOC(=O)c1c(CN2CC(C)(C)C2)c2ccccc2n1C ZINC001233270280 1098270065 /nfs/dbraw/zinc/27/00/65/1098270065.db2.gz HTEVBAIOQJTZFN-UHFFFAOYSA-N 0 0 300.402 3.197 20 10 DGCDRN COc1cc(Cl)cc(CN(C)CC(=O)c2ccccc2)c1O ZINC001233290765 1098277892 /nfs/dbraw/zinc/27/78/92/1098277892.db2.gz UUCRCGMRHADDBV-UHFFFAOYSA-N 0 0 319.788 3.369 20 10 DGCDRN Cc1nc([C@H]2CCCCN2Cc2c(O)ccc(F)c2F)no1 ZINC001233334337 1098292287 /nfs/dbraw/zinc/29/22/87/1098292287.db2.gz CCJPHEIRYPCXEF-GFCCVEGCSA-N 0 0 309.316 3.089 20 10 DGCDRN Oc1ccc(F)c(F)c1CN1CCO[C@H](c2ccccc2)C1 ZINC001233334570 1098292547 /nfs/dbraw/zinc/29/25/47/1098292547.db2.gz MECFWDUOFHSWCK-INIZCTEOSA-N 0 0 305.324 3.244 20 10 DGCDRN [O-]c1c(C[N@@H+]2CCC[C@]3(CCOC3)C2)cccc1C(F)(F)F ZINC001233416494 1098321752 /nfs/dbraw/zinc/32/17/52/1098321752.db2.gz KHEORLIMLSZKJG-HNNXBMFYSA-N 0 0 315.335 3.414 20 10 DGCDRN C[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])[C@@H]1CO ZINC001233415736 1098323017 /nfs/dbraw/zinc/32/30/17/1098323017.db2.gz HEJVRDLRNGQHJW-ZWNOBZJWSA-N 0 0 303.324 3.004 20 10 DGCDRN CC(C)[C@H]1CN(Cc2cccc(C(F)(F)F)c2O)CCO1 ZINC001233419256 1098324409 /nfs/dbraw/zinc/32/44/09/1098324409.db2.gz PZTXDJDSVKTLLN-CYBMUJFWSA-N 0 0 303.324 3.268 20 10 DGCDRN COC(=O)[C@H](C(C)C)[N@H+](C)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233419502 1098324506 /nfs/dbraw/zinc/32/45/06/1098324506.db2.gz ZVEZDDXTCIRCBF-LBPRGKRZSA-N 0 0 319.323 3.040 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)cccc1C(F)(F)F ZINC001233419359 1098324769 /nfs/dbraw/zinc/32/47/69/1098324769.db2.gz VCPPWGXCYMWKNO-MFKMUULPSA-N 0 0 301.308 3.022 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)cccc1C(F)(F)F ZINC001233419357 1098325150 /nfs/dbraw/zinc/32/51/50/1098325150.db2.gz VCPPWGXCYMWKNO-GWCFXTLKSA-N 0 0 301.308 3.022 20 10 DGCDRN CC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233418838 1098325429 /nfs/dbraw/zinc/32/54/29/1098325429.db2.gz YDKVXJIBTSKICA-LLVKDONJSA-N 0 0 301.308 3.212 20 10 DGCDRN CCCN(CC(=O)OCC)Cc1cccc(C(F)(F)F)c1O ZINC001233419165 1098325619 /nfs/dbraw/zinc/32/56/19/1098325619.db2.gz LQTSASORJBMLAC-UHFFFAOYSA-N 0 0 319.323 3.186 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)Cc1cncc(Cl)n1 ZINC001233449354 1098335726 /nfs/dbraw/zinc/33/57/26/1098335726.db2.gz ZYPCHCBPPMLWKB-UHFFFAOYSA-N 0 0 316.836 3.362 20 10 DGCDRN Oc1cc(C(F)(F)F)ccc1CN1CC2(C1)CCCCO2 ZINC001233452087 1098338855 /nfs/dbraw/zinc/33/88/55/1098338855.db2.gz KCICOQCFRBSHIO-UHFFFAOYSA-N 0 0 301.308 3.166 20 10 DGCDRN Oc1cc(C(F)(F)F)ccc1CN1CC(Oc2cccnc2)C1 ZINC001233454373 1098340224 /nfs/dbraw/zinc/34/02/24/1098340224.db2.gz SHKOEOYLWOWXSO-UHFFFAOYSA-N 0 0 324.302 3.069 20 10 DGCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@H](C)c1cncnc1 ZINC001233497118 1098351317 /nfs/dbraw/zinc/35/13/17/1098351317.db2.gz NCZLUKRTOPJAEC-SNVBAGLBSA-N 0 0 302.330 3.011 20 10 DGCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@@H]1CCOC(C)(C)C1 ZINC001233496374 1098351512 /nfs/dbraw/zinc/35/15/12/1098351512.db2.gz FUFLFRIMUNRKJC-LLVKDONJSA-N 0 0 308.374 3.417 20 10 DGCDRN CCN1CCc2cc(O[C@H]3CC[C@H](C(=O)OC)CC3)ccc21 ZINC001233602598 1098386635 /nfs/dbraw/zinc/38/66/35/1098386635.db2.gz XHBLFUGJMARVEA-CTYIDZIISA-N 0 0 303.402 3.180 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1cccc(-c2ccoc2)c1 ZINC001176565305 1098388505 /nfs/dbraw/zinc/38/85/05/1098388505.db2.gz JSELJTMRGNVVHA-UHFFFAOYSA-N 0 0 309.321 3.288 20 10 DGCDRN Cc1ccc2c(c1)CC[C@@H]2Oc1nc[nH]c2cc(=O)c(O)cc1-2 ZINC001233949832 1098465556 /nfs/dbraw/zinc/46/55/56/1098465556.db2.gz PDRKUJWFCPJKJC-KRWDZBQOSA-N 0 0 308.337 3.416 20 10 DGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)Cc2ccon2)cc1 ZINC001177511772 1098545146 /nfs/dbraw/zinc/54/51/46/1098545146.db2.gz SNOFRSGNKQOGOO-UHFFFAOYSA-N 0 0 307.353 3.033 20 10 DGCDRN c1sc(-c2ccccn2)nc1CNCc1ccc2c(c1)CCO2 ZINC001177586793 1098558928 /nfs/dbraw/zinc/55/89/28/1098558928.db2.gz KQBCKKNIRVHUTE-UHFFFAOYSA-N 0 0 323.421 3.430 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1OC[C@@H](C)OCc1ccccc1 ZINC001234476068 1098564156 /nfs/dbraw/zinc/56/41/56/1098564156.db2.gz KHRNTYXGZXSPHT-GFCCVEGCSA-N 0 0 316.353 3.285 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1OCc1cccnc1OC(C)C ZINC001234476058 1098564426 /nfs/dbraw/zinc/56/44/26/1098564426.db2.gz KFKFFKPTENHYOL-UHFFFAOYSA-N 0 0 317.341 3.062 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1O[C@H](C(=O)OC(C)(C)C)C(C)C ZINC001234475677 1098565213 /nfs/dbraw/zinc/56/52/13/1098565213.db2.gz IIVBRGMHXAMKGM-HNNXBMFYSA-N 0 0 324.373 3.046 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1O[C@H](C)COc1ccccc1C ZINC001234477368 1098565921 /nfs/dbraw/zinc/56/59/21/1098565921.db2.gz SEVULQMXBCSEAC-GFCCVEGCSA-N 0 0 316.353 3.455 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1O[C@H](C(C)=O)c1ccccc1 ZINC001234476892 1098566251 /nfs/dbraw/zinc/56/62/51/1098566251.db2.gz PMJLIWDBYBTNSC-QGZVFWFLSA-N 0 0 300.310 3.010 20 10 DGCDRN COc1ccc2ccc(O)c(CN3CC(F)(C4CC4)C3)c2c1 ZINC001234525408 1098580256 /nfs/dbraw/zinc/58/02/56/1098580256.db2.gz GEBDQVRWPMHNPA-UHFFFAOYSA-N 0 0 301.361 3.488 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@@H]3C(C)(C)O)c2c1 ZINC001234562176 1098602409 /nfs/dbraw/zinc/60/24/09/1098602409.db2.gz JGXBSEGNDVSACE-GOSISDBHSA-N 0 0 315.413 3.289 20 10 DGCDRN Cc1ccccc1[C@@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001177972706 1098679390 /nfs/dbraw/zinc/67/93/90/1098679390.db2.gz VCONCHADDUFAGO-OAHLLOKOSA-N 0 0 309.768 3.316 20 10 DGCDRN Cc1cc(O)c(CNc2ccc3c(c2)C(=O)NC3)c(Cl)c1 ZINC001178025271 1098697831 /nfs/dbraw/zinc/69/78/31/1098697831.db2.gz HXXJSYOYORVPQA-UHFFFAOYSA-N 0 0 302.761 3.210 20 10 DGCDRN OC[C@@H]1CC(F)(F)CN1Cc1cccc(-c2ccccc2)c1O ZINC001234989463 1098737296 /nfs/dbraw/zinc/73/72/96/1098737296.db2.gz DJVVYXNUVPETGD-HNNXBMFYSA-N 0 0 319.351 3.261 20 10 DGCDRN Oc1c(CN2CCn3cncc3C2)cccc1-c1ccccc1 ZINC001234997425 1098740553 /nfs/dbraw/zinc/74/05/53/1098740553.db2.gz YONUPCPOGPCLBN-UHFFFAOYSA-N 0 0 305.381 3.272 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[NH+]1CC2(CCC2)C1 ZINC001235058551 1098779599 /nfs/dbraw/zinc/77/95/99/1098779599.db2.gz NWZCPBAWHCSFNK-UHFFFAOYSA-N 0 0 300.171 3.280 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001235067767 1098782862 /nfs/dbraw/zinc/78/28/62/1098782862.db2.gz ZKZAJVIDXRNZSH-QPUJVOFHSA-N 0 0 300.171 3.278 20 10 DGCDRN O=C(NC1CC1)c1cccc(NCc2cc(F)cc(F)c2O)c1 ZINC001178359331 1098808886 /nfs/dbraw/zinc/80/88/86/1098808886.db2.gz AJWHUMMOKZUXMJ-UHFFFAOYSA-N 0 0 318.323 3.175 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CCCC[C@]12CC[NH2+]C2 ZINC001235127073 1098825958 /nfs/dbraw/zinc/82/59/58/1098825958.db2.gz XERALEKGKGEIMS-OAHLLOKOSA-N 0 0 315.244 3.417 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1c(F)ccc(F)c1Cl ZINC001178413371 1098827569 /nfs/dbraw/zinc/82/75/69/1098827569.db2.gz RLEWLYCDVHKBSE-UHFFFAOYSA-N 0 0 315.678 3.393 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@@H]1Cc2ccc(Cl)cc21 ZINC001178413277 1098827710 /nfs/dbraw/zinc/82/77/10/1098827710.db2.gz PSQOGKVCLITUMP-GFCCVEGCSA-N 0 0 305.736 3.141 20 10 DGCDRN CCC[N@H+](CCOC)Cc1cc(F)cc(Br)c1[O-] ZINC001235297544 1098947487 /nfs/dbraw/zinc/94/74/87/1098947487.db2.gz NBHTXCNWMHSHOA-UHFFFAOYSA-N 0 0 320.202 3.152 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@H]1CCO[C@H]1C ZINC001178965694 1098983305 /nfs/dbraw/zinc/98/33/05/1098983305.db2.gz UKLGFWFROZFXEG-GDZNZVCISA-N 0 0 317.429 3.174 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cccc2n[nH]cc21 ZINC001179028846 1099005041 /nfs/dbraw/zinc/00/50/41/1099005041.db2.gz FDYSFYOSLYWXQA-UHFFFAOYSA-N 0 0 317.348 3.352 20 10 DGCDRN C[C@H]1C(=O)CC[C@H]1CC(=O)NCc1c(O)ccc2ccccc21 ZINC001179032497 1099007150 /nfs/dbraw/zinc/00/71/50/1099007150.db2.gz IWMZCHDSDBHQGV-OCCSQVGLSA-N 0 0 311.381 3.167 20 10 DGCDRN Cn1cc(Cl)c(NCc2c(O)cccc2Br)n1 ZINC001179442249 1099095311 /nfs/dbraw/zinc/09/53/11/1099095311.db2.gz BTBRUQGPUOPGAG-UHFFFAOYSA-N 0 0 316.586 3.154 20 10 DGCDRN O=C1CSc2cc(NCc3cc(F)cc(F)c3O)ccc2N1 ZINC001179407106 1099096521 /nfs/dbraw/zinc/09/65/21/1099096521.db2.gz WBIGQQNILUETDL-UHFFFAOYSA-N 0 0 322.336 3.327 20 10 DGCDRN CNC(=O)N(C)c1ccc(NCc2c(O)cccc2Cl)cc1 ZINC001179462811 1099107302 /nfs/dbraw/zinc/10/73/02/1099107302.db2.gz CNGQGNXXZAJNSO-UHFFFAOYSA-N 0 0 319.792 3.433 20 10 DGCDRN CC(C)(C)c1ccc(CN2CC(F)(F)CC[C@@H]2CO)c(O)c1 ZINC001235676450 1099119395 /nfs/dbraw/zinc/11/93/95/1099119395.db2.gz SOWPGUAULQKWTL-CQSZACIVSA-N 0 0 313.388 3.282 20 10 DGCDRN CCOC(=O)CN(Cc1ccc(C(C)(C)C)cc1O)C1CC1 ZINC001235681911 1099124806 /nfs/dbraw/zinc/12/48/06/1099124806.db2.gz SAXOWJIODMWGBZ-UHFFFAOYSA-N 0 0 305.418 3.217 20 10 DGCDRN [O-]c1c(Cl)cccc1CN1CC[NH2+]C[C@@H]1c1ccccc1F ZINC001235752462 1099165848 /nfs/dbraw/zinc/16/58/48/1099165848.db2.gz JFFWPKZGEPHQIQ-MRXNPFEDSA-N 0 0 320.795 3.331 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H](CCO)C1CCCC1 ZINC001179670644 1099171059 /nfs/dbraw/zinc/17/10/59/1099171059.db2.gz ZOXIETPAUCIGGF-ZDUSSCGKSA-N 0 0 301.789 3.216 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1CN1CC[NH2+][C@H](c2ccccc2)C1 ZINC001235856759 1099216001 /nfs/dbraw/zinc/21/60/01/1099216001.db2.gz QTYNGWMRHBULGN-INIZCTEOSA-N 0 0 320.795 3.331 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1CN1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001235856762 1099217430 /nfs/dbraw/zinc/21/74/30/1099217430.db2.gz QTYNGWMRHBULGN-MRXNPFEDSA-N 0 0 320.795 3.331 20 10 DGCDRN CCN(CC)c1ccc(CN(C)Cc2ccn(CC)n2)cc1 ZINC001180364521 1099398079 /nfs/dbraw/zinc/39/80/79/1099398079.db2.gz XJGIVTNGZFOYCM-UHFFFAOYSA-N 0 0 300.450 3.381 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@]1(C)CCCO1 ZINC001180476898 1099417800 /nfs/dbraw/zinc/41/78/00/1099417800.db2.gz BBSNLSYFFJAZCU-LPHOPBHVSA-N 0 0 317.429 3.318 20 10 DGCDRN CN(Cc1cc(Cl)cc(Cl)c1[O-])[C@]1(C)CCC[NH2+]C1 ZINC001236200023 1099460355 /nfs/dbraw/zinc/46/03/55/1099460355.db2.gz HOGKOLHCHLPZJP-CQSZACIVSA-N 0 0 303.233 3.273 20 10 DGCDRN COC(=O)[C@H](C)N(Cc1cc(Cl)c(C)cc1O)C1CCC1 ZINC001180865394 1099518279 /nfs/dbraw/zinc/51/82/79/1099518279.db2.gz JRENYABBBSMAMY-NSHDSACASA-N 0 0 311.809 3.270 20 10 DGCDRN CCCOC1CN(Cc2cc(C)cc(Br)c2O)C1 ZINC001236666684 1099732704 /nfs/dbraw/zinc/73/27/04/1099732704.db2.gz UEORGCJEPILSSB-UHFFFAOYSA-N 0 0 314.223 3.074 20 10 DGCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)c1cc(F)c[nH]1 ZINC001188475956 1099774651 /nfs/dbraw/zinc/77/46/51/1099774651.db2.gz SKHAZYMRDBJQGH-PXTJVOGYSA-N 0 0 324.319 3.121 20 10 DGCDRN Oc1cc(CN2CCCCC23CC3)c(O)cc1Br ZINC001236771407 1099775328 /nfs/dbraw/zinc/77/53/28/1099775328.db2.gz QLFXUIOMRZTTOQ-UHFFFAOYSA-N 0 0 312.207 3.379 20 10 DGCDRN CC1(F)CCN(Cc2cc(O)c(Br)cc2O)CC1 ZINC001236767988 1099776382 /nfs/dbraw/zinc/77/63/82/1099776382.db2.gz OJKQDBPIUXWOBS-UHFFFAOYSA-N 0 0 318.186 3.184 20 10 DGCDRN CCOC1CN(Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001236780064 1099780664 /nfs/dbraw/zinc/78/06/64/1099780664.db2.gz XNWPMAJOHOKSOF-UHFFFAOYSA-N 0 0 313.397 3.192 20 10 DGCDRN CCc1ccc(C[N@H+]2CCC[C@@H](C(=O)N(CC)CC)C2)c(O)c1 ZINC001236783146 1099781588 /nfs/dbraw/zinc/78/15/88/1099781588.db2.gz IIPYBHWPANNXDB-QGZVFWFLSA-N 0 0 318.461 3.035 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2ccc(C(F)(F)F)[nH]2)c(O)c1 ZINC001188513808 1099782716 /nfs/dbraw/zinc/78/27/16/1099782716.db2.gz ZHOLDYJMKAQRCE-UHFFFAOYSA-N 0 0 312.291 3.286 20 10 DGCDRN [O-]c1cc(Cl)c(Cl)cc1C[NH+]1CCC2(CC1)OCCO2 ZINC001236790129 1099785516 /nfs/dbraw/zinc/78/55/16/1099785516.db2.gz LCLZOHMYVYHVPC-UHFFFAOYSA-N 0 0 318.200 3.038 20 10 DGCDRN COc1ccc(C[N@@H+]2CC[C@H](C)[C@](C)(O)CC2)c([O-])c1Cl ZINC001236801482 1099796225 /nfs/dbraw/zinc/79/62/25/1099796225.db2.gz JWWGZZSIMGCLKZ-MEDUHNTESA-N 0 0 313.825 3.037 20 10 DGCDRN COc1ccc(C[N@@H+]2CCc3c(O)cccc3C2)c([O-])c1Cl ZINC001236804469 1099797419 /nfs/dbraw/zinc/79/74/19/1099797419.db2.gz ZVLKXBKQCPCRPB-UHFFFAOYSA-N 0 0 319.788 3.318 20 10 DGCDRN COc1ccc(CN2CC[C@@H]([NH+]3CCCCC3)C2)c([O-])c1Cl ZINC001236806595 1099801110 /nfs/dbraw/zinc/80/11/10/1099801110.db2.gz DKVOXQWTTXFPLK-CQSZACIVSA-N 0 0 324.852 3.114 20 10 DGCDRN COc1cc(C)c(CN2CCc3nc(Cl)ccc3C2)c(O)c1 ZINC001236814532 1099803516 /nfs/dbraw/zinc/80/35/16/1099803516.db2.gz UCFVXRVRHIUFCO-UHFFFAOYSA-N 0 0 318.804 3.316 20 10 DGCDRN Cc1ccc(Cl)cc1NC(=O)NCc1ccc(O)cc1O ZINC001188744818 1099846571 /nfs/dbraw/zinc/84/65/71/1099846571.db2.gz HAIIQFAFIDPWGE-UHFFFAOYSA-N 0 0 306.749 3.381 20 10 DGCDRN COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2O)[C@@H]1C ZINC001237048417 1099940945 /nfs/dbraw/zinc/94/09/45/1099940945.db2.gz FWPFDBONMOTUCS-CZUORRHYSA-N 0 0 305.418 3.289 20 10 DGCDRN Cc1cccc(C)c1C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001189057913 1099944114 /nfs/dbraw/zinc/94/41/14/1099944114.db2.gz QHEQUTJTULDQFZ-UHFFFAOYSA-N 0 0 311.381 3.303 20 10 DGCDRN CCOC(=O)[C@@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237080402 1099957605 /nfs/dbraw/zinc/95/76/05/1099957605.db2.gz BUHHSWUZZWZLHC-SECBINFHSA-N 0 0 318.200 3.084 20 10 DGCDRN C[C@@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)[C@@H]1CO ZINC001237077695 1099958662 /nfs/dbraw/zinc/95/86/62/1099958662.db2.gz JNDADOPHGALDSG-BXKDBHETSA-N 0 0 304.217 3.292 20 10 DGCDRN Oc1cccc(OC(F)(F)F)c1CN1CCn2cccc2C1 ZINC001237110281 1099974289 /nfs/dbraw/zinc/97/42/89/1099974289.db2.gz CSHLNFPZYCMODI-UHFFFAOYSA-N 0 0 312.291 3.108 20 10 DGCDRN CC[NH+](CC)C1CCN(Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237124193 1099985286 /nfs/dbraw/zinc/98/52/86/1099985286.db2.gz KOELSNZPGICKPO-UHFFFAOYSA-N 0 0 314.832 3.491 20 10 DGCDRN Oc1ccc(F)c(Cl)c1CN1CCOC[C@H]1c1cccnc1 ZINC001237130506 1099986256 /nfs/dbraw/zinc/98/62/56/1099986256.db2.gz NCPVNBJLHVVMQO-AWEZNQCLSA-N 0 0 322.767 3.153 20 10 DGCDRN Cc1cc(O)c(CN(C2CCC2)[C@H]2CCC[NH2+]C2)cc1Cl ZINC001237157721 1100007135 /nfs/dbraw/zinc/00/71/35/1100007135.db2.gz VMUQVRDXXAMVBV-HNNXBMFYSA-N 0 0 308.853 3.461 20 10 DGCDRN [O-]c1c(Cl)cc(F)cc1CN(C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237159901 1100009034 /nfs/dbraw/zinc/00/90/34/1100009034.db2.gz FMPSPVGMGMXRCO-CQSZACIVSA-N 0 0 312.816 3.291 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1CN(C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237160336 1100009358 /nfs/dbraw/zinc/00/93/58/1100009358.db2.gz JPNZPQHRIRFOIY-CQSZACIVSA-N 0 0 312.816 3.291 20 10 DGCDRN COC(=O)c1cnc(SCc2ccnc(Cl)c2)s1 ZINC001189407691 1100048898 /nfs/dbraw/zinc/04/88/98/1100048898.db2.gz ILDJFGGRYYYCEL-UHFFFAOYSA-N 0 0 300.792 3.270 20 10 DGCDRN CC[C@H](C)[C@@H](C(=O)OC)N(C)Cc1cc(Cl)cc(F)c1[O-] ZINC001237624092 1100192026 /nfs/dbraw/zinc/19/20/26/1100192026.db2.gz YCOBLKJDOZPBSO-ZANVPECISA-N 0 0 317.788 3.204 20 10 DGCDRN Oc1ccc(-c2ccc(F)cc2)cc1CN1CCn2cncc2C1 ZINC001237644587 1100201768 /nfs/dbraw/zinc/20/17/68/1100201768.db2.gz DNCPOMQJBXDNCV-UHFFFAOYSA-N 0 0 323.371 3.411 20 10 DGCDRN Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@](O)(CF)C2)c1O ZINC001237681771 1100213058 /nfs/dbraw/zinc/21/30/58/1100213058.db2.gz RHGHKTFSOBVZBF-OAHLLOKOSA-N 0 0 301.789 3.041 20 10 DGCDRN Cc1cc(O)c(CN2CC3(CSC3)C2)cc1Br ZINC001237684376 1100214117 /nfs/dbraw/zinc/21/41/17/1100214117.db2.gz JLQJGTWGTUBLQV-UHFFFAOYSA-N 0 0 314.248 3.012 20 10 DGCDRN CC[N@@H+]1CCN(Cc2cc(F)cc(Cl)c2[O-])C(C)(C)C1 ZINC001237803735 1100251768 /nfs/dbraw/zinc/25/17/68/1100251768.db2.gz UMWNIYFIRHAVGK-UHFFFAOYSA-N 0 0 300.805 3.101 20 10 DGCDRN Cn1ccc(C2CC[NH+](Cc3cc(F)cc(Cl)c3[O-])CC2)n1 ZINC001237804938 1100251908 /nfs/dbraw/zinc/25/19/08/1100251908.db2.gz ICHMTXCRUBILRM-UHFFFAOYSA-N 0 0 323.799 3.298 20 10 DGCDRN [O-]c1c(Cl)cc(F)cc1C[NH+]1CCC2(C[C@@H]2CCO)CC1 ZINC001237804365 1100251926 /nfs/dbraw/zinc/25/19/26/1100251926.db2.gz CLAYXXVBNXJDJV-LBPRGKRZSA-N 0 0 313.800 3.169 20 10 DGCDRN COc1ccc(CN(C)Cc2ccc(N(C)C)cc2)c(Cl)n1 ZINC001237798611 1100251947 /nfs/dbraw/zinc/25/19/47/1100251947.db2.gz NAKPNNZNPJXIOH-UHFFFAOYSA-N 0 0 319.836 3.442 20 10 DGCDRN CN1CCN(Cc2cc(F)cc(Cl)c2[O-])Cc2cccnc21 ZINC001237814076 1100255107 /nfs/dbraw/zinc/25/51/07/1100255107.db2.gz OXZYOPLVAVCHCM-UHFFFAOYSA-N 0 0 321.783 3.032 20 10 DGCDRN CN(C)c1cccc(NS(=O)(=O)c2ccc(C3CC3)cc2)c1 ZINC001190505615 1100282140 /nfs/dbraw/zinc/28/21/40/1100282140.db2.gz FXVDEAAWCRPHDI-UHFFFAOYSA-N 0 0 316.426 3.431 20 10 DGCDRN CC1(C)C[N@H+](Cc2cc(F)c(Cl)cc2[O-])[C@@](C)(CO)C1 ZINC001237934252 1100296419 /nfs/dbraw/zinc/29/64/19/1100296419.db2.gz JTDJFOPIVIHNNF-OAHLLOKOSA-N 0 0 301.789 3.168 20 10 DGCDRN CCCCN(CC(=O)OCC)Cc1cc(F)c(Cl)cc1O ZINC001237941626 1100298877 /nfs/dbraw/zinc/29/88/77/1100298877.db2.gz ZOYZNWKYPGMMCS-UHFFFAOYSA-N 0 0 317.788 3.350 20 10 DGCDRN Oc1cc(Cl)c(F)cc1CN1CCOC[C@H]1c1cccnc1 ZINC001237941177 1100299350 /nfs/dbraw/zinc/29/93/50/1100299350.db2.gz QZPGEAHCMFMPBS-HNNXBMFYSA-N 0 0 322.767 3.153 20 10 DGCDRN Cc1nc([C@H]2COCCN2Cc2cc(F)cc(C)c2O)cs1 ZINC001238063261 1100345910 /nfs/dbraw/zinc/34/59/10/1100345910.db2.gz YZMFXBGUMDTZIM-OAHLLOKOSA-N 0 0 322.405 3.178 20 10 DGCDRN CCCOc1ccccc1C(=O)N1CCc2cccc(O)c2C1 ZINC001190992997 1100377271 /nfs/dbraw/zinc/37/72/71/1100377271.db2.gz BJUAAFSHDOOVTI-UHFFFAOYSA-N 0 0 311.381 3.380 20 10 DGCDRN Cn1c(=O)cc(-c2cc3ccccc3[nH]c2=O)c2ccccc21 ZINC001238880619 1100550736 /nfs/dbraw/zinc/55/07/36/1100550736.db2.gz AKXLFZXZDOKRHZ-UHFFFAOYSA-N 0 0 302.333 3.459 20 10 DGCDRN COCCn1ccc2c1ncnc2-c1cn(C)c2ccccc12 ZINC001239524777 1100682539 /nfs/dbraw/zinc/68/25/39/1100682539.db2.gz ODTASFJTZDTZAW-UHFFFAOYSA-N 0 0 306.369 3.236 20 10 DGCDRN COc1cc(C(=O)N[C@H]2CC[C@@H](C(C)(C)C)CC2)cc(O)c1O ZINC001193131086 1100710592 /nfs/dbraw/zinc/71/05/92/1100710592.db2.gz DUIUDEZNBYAGDN-BETUJISGSA-N 0 0 321.417 3.441 20 10 DGCDRN Cc1ccc(NC(=O)c2ccc(O)c(O)c2Cl)c2n[nH]cc21 ZINC001193231919 1100719641 /nfs/dbraw/zinc/71/96/41/1100719641.db2.gz BDTYJWQPOFIKSZ-UHFFFAOYSA-N 0 0 317.732 3.188 20 10 DGCDRN Cc1cccc(C2(NC(=O)c3ccc(O)c(O)c3Cl)CC2)c1 ZINC001193247277 1100720663 /nfs/dbraw/zinc/72/06/63/1100720663.db2.gz RPKQBCDMRQBSIK-UHFFFAOYSA-N 0 0 317.772 3.479 20 10 DGCDRN COc1cncc(-c2cc(N3CCc4ccccc43)ncn2)c1 ZINC001239928414 1100801675 /nfs/dbraw/zinc/80/16/75/1100801675.db2.gz JTXCDFAVLYHMRI-UHFFFAOYSA-N 0 0 304.353 3.241 20 10 DGCDRN COc1cncc(-c2ccn(Cc3cccc(F)c3)c(=O)c2)c1 ZINC001239932496 1100803024 /nfs/dbraw/zinc/80/30/24/1100803024.db2.gz TXXGZIASCFIJKH-UHFFFAOYSA-N 0 0 310.328 3.106 20 10 DGCDRN O=c1cc(-c2cnn(Cc3ccccc3)c2)ccn1CC1CC1 ZINC001240004672 1100829423 /nfs/dbraw/zinc/82/94/23/1100829423.db2.gz CPIBBRKKPJJFTI-UHFFFAOYSA-N 0 0 305.381 3.170 20 10 DGCDRN O=c1cc(-c2ccc3nccn3c2)ccn1Cc1ccccc1F ZINC001240221265 1100901375 /nfs/dbraw/zinc/90/13/75/1100901375.db2.gz KAXPRRNLBLUFAZ-UHFFFAOYSA-N 0 0 319.339 3.350 20 10 DGCDRN CC(C)(C)COC(=O)NCc1cc(Br)ccc1O ZINC001194410107 1100937360 /nfs/dbraw/zinc/93/73/60/1100937360.db2.gz SJDBZIWQLQCYCY-UHFFFAOYSA-N 0 0 316.195 3.427 20 10 DGCDRN Fc1cccc(Cn2ccc3c2ncnc3-c2cncnc2)c1 ZINC001240372373 1100965063 /nfs/dbraw/zinc/96/50/63/1100965063.db2.gz BECHTWPFBFNZQM-UHFFFAOYSA-N 0 0 305.316 3.076 20 10 DGCDRN Cc1cccc(C)c1S(=O)(=O)Nc1cc(F)c(O)cc1F ZINC001194642411 1100980139 /nfs/dbraw/zinc/98/01/39/1100980139.db2.gz DZKZPVLMYRYZQK-UHFFFAOYSA-N 0 0 313.325 3.088 20 10 DGCDRN CC(C)CCn1cc(-c2ccn(Cc3ccccn3)c(=O)c2)cn1 ZINC001240420952 1100989461 /nfs/dbraw/zinc/98/94/61/1100989461.db2.gz JTWMPGAGZXCOHE-UHFFFAOYSA-N 0 0 322.412 3.201 20 10 DGCDRN Cc1cc2cc(-c3ccn(Cc4ccncc4)c(=O)c3)cnc2[nH]1 ZINC001240490238 1101019223 /nfs/dbraw/zinc/01/92/23/1101019223.db2.gz SMDXIPBRHQFTJP-UHFFFAOYSA-N 0 0 316.364 3.143 20 10 DGCDRN COC(=O)c1cc2ccc(-c3cnn(CC4CC4)c3)cc2n1C ZINC001240514380 1101030327 /nfs/dbraw/zinc/03/03/27/1101030327.db2.gz DGUZUACOPOURLV-UHFFFAOYSA-N 0 0 309.369 3.238 20 10 DGCDRN Cc1cc(-c2ccc3ccn(C)c3c2)cnc1N1CCOCC1 ZINC001240574296 1101056313 /nfs/dbraw/zinc/05/63/13/1101056313.db2.gz DMRXTKHXJHWYDN-UHFFFAOYSA-N 0 0 307.397 3.385 20 10 DGCDRN O=c1cc(-c2cnc(C3CC3)nc2)ccn1Cc1ccccc1 ZINC001240687476 1101096815 /nfs/dbraw/zinc/09/68/15/1101096815.db2.gz WGBXILRYNYXNGV-UHFFFAOYSA-N 0 0 303.365 3.231 20 10 DGCDRN Cn1ccc2cc(-c3ccn(Cc4ccccc4)c(=O)c3)cnc21 ZINC001240844239 1101151830 /nfs/dbraw/zinc/15/18/30/1101151830.db2.gz BWVZGGRHISNFEO-UHFFFAOYSA-N 0 0 315.376 3.450 20 10 DGCDRN Cc1cnn(C)c1C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001195514548 1101153629 /nfs/dbraw/zinc/15/36/29/1101153629.db2.gz FUZLSNOVAVSWDH-UHFFFAOYSA-N 0 0 320.396 3.158 20 10 DGCDRN Cc1cccc(Sc2cncc(-c3ccn(C)c(=O)c3)n2)c1 ZINC001240977849 1101206806 /nfs/dbraw/zinc/20/68/06/1101206806.db2.gz QDUGQWYMTDBDHC-UHFFFAOYSA-N 0 0 309.394 3.302 20 10 DGCDRN Cc1ccc(F)cc1NC(=S)NCc1ccc(O)c(O)c1 ZINC001195937172 1101224675 /nfs/dbraw/zinc/22/46/75/1101224675.db2.gz PBBFCAXRIIUMIJ-UHFFFAOYSA-N 0 0 306.362 3.032 20 10 DGCDRN Cc1cc(F)ccc1NC(=S)NCc1ccc(O)c(O)c1 ZINC001196145166 1101256093 /nfs/dbraw/zinc/25/60/93/1101256093.db2.gz VVHROMNGDJHEBT-UHFFFAOYSA-N 0 0 306.362 3.032 20 10 DGCDRN Cc1cccc(NC(=S)NCc2cccc(O)c2O)c1C ZINC001196440797 1101301935 /nfs/dbraw/zinc/30/19/35/1101301935.db2.gz DINWHBQECLHXOR-UHFFFAOYSA-N 0 0 302.399 3.201 20 10 DGCDRN O=C(NCc1ccccc1O)c1ccc(-c2cccs2)nc1 ZINC001196786237 1101385887 /nfs/dbraw/zinc/38/58/87/1101385887.db2.gz LSVSVCRLUCGOGZ-UHFFFAOYSA-N 0 0 310.378 3.446 20 10 DGCDRN COC(=O)c1ncc(C2=CCN(c3ccccc3)CC2)cc1C ZINC001241352248 1101398103 /nfs/dbraw/zinc/39/81/03/1101398103.db2.gz PFEAEFOTSAHLQC-UHFFFAOYSA-N 0 0 308.381 3.470 20 10 DGCDRN COC(=O)c1cnc(OC)c(C2=CCN(c3ccccc3)CC2)c1 ZINC001241355934 1101399488 /nfs/dbraw/zinc/39/94/88/1101399488.db2.gz YVBDLZAPEARFQO-UHFFFAOYSA-N 0 0 324.380 3.171 20 10 DGCDRN Oc1cccc(NC(=S)NCc2ccccc2Cl)c1O ZINC001196825384 1101409581 /nfs/dbraw/zinc/40/95/81/1101409581.db2.gz UZFPFLZUBSBPCH-UHFFFAOYSA-N 0 0 308.790 3.238 20 10 DGCDRN Cc1cc(-c2nccn2C)c(-c2cnn(-c3ccccc3)c2)nn1 ZINC001241752563 1101683106 /nfs/dbraw/zinc/68/31/06/1101683106.db2.gz AWIZJGCTUUUREJ-UHFFFAOYSA-N 0 0 316.368 3.038 20 10 DGCDRN CCOC(=O)c1cn2cc(-c3cccc4c3ccn4C)ncc2n1 ZINC001241821581 1101727734 /nfs/dbraw/zinc/72/77/34/1101727734.db2.gz JKAHKHDIJLVJQM-UHFFFAOYSA-N 0 0 320.352 3.065 20 10 DGCDRN Cn1ccc2c1cccc2-c1cccn(-c2ccccn2)c1=O ZINC001241822951 1101728402 /nfs/dbraw/zinc/72/84/02/1101728402.db2.gz GXZRIYAWKGVQOL-UHFFFAOYSA-N 0 0 301.349 3.391 20 10 DGCDRN COC(=O)c1nc2[nH]ccc2cc1-c1cccc2c1ccn2C ZINC001241823321 1101728610 /nfs/dbraw/zinc/72/86/10/1101728610.db2.gz MXEUEBQVOVFZMA-UHFFFAOYSA-N 0 0 305.337 3.460 20 10 DGCDRN Cn1ccc2c1cccc2-c1ccnn(-c2ccccc2)c1=O ZINC001241823867 1101730360 /nfs/dbraw/zinc/73/03/60/1101730360.db2.gz ZZOHVHPUKQLRPX-UHFFFAOYSA-N 0 0 301.349 3.391 20 10 DGCDRN CNc1ccc(-c2ccn(Cc3cccc(F)c3)c(=O)c2)cn1 ZINC001242071263 1101893923 /nfs/dbraw/zinc/89/39/23/1101893923.db2.gz OXCONXFBPVHYRM-UHFFFAOYSA-N 0 0 309.344 3.139 20 10 DGCDRN COC(=O)c1cnc(-c2ccccc2N(C)C)c2ccn(C)c21 ZINC001242173458 1101959627 /nfs/dbraw/zinc/95/96/27/1101959627.db2.gz HTYUZSKRZFOVES-UHFFFAOYSA-N 0 0 309.369 3.093 20 10 DGCDRN CN(C)c1ccccc1-c1ccn(Cc2ccccn2)c(=O)c1 ZINC001242192397 1101967222 /nfs/dbraw/zinc/96/72/22/1101967222.db2.gz DHQDGSKFOZSNBV-UHFFFAOYSA-N 0 0 305.381 3.025 20 10 DGCDRN COc1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2C)c(C)c1 ZINC001198941370 1102031055 /nfs/dbraw/zinc/03/10/55/1102031055.db2.gz AWBADQAIDQUPMN-UHFFFAOYSA-N 0 0 321.398 3.127 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2ccncc2OC(C)C)c(O)c1 ZINC001199161519 1102075540 /nfs/dbraw/zinc/07/55/40/1102075540.db2.gz QBUHPKRWLKWXMG-UHFFFAOYSA-N 0 0 314.385 3.121 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2cnc(N3CCC3)nc2)cn1 ZINC001242703723 1102295012 /nfs/dbraw/zinc/29/50/12/1102295012.db2.gz SPSXVESYGHYLJV-UHFFFAOYSA-N 0 0 305.385 3.156 20 10 DGCDRN COc1ccc(-c2ccn(Cc3ccccc3)c(=O)c2)c(C)n1 ZINC001242929553 1102422512 /nfs/dbraw/zinc/42/25/12/1102422512.db2.gz QPIYZPRIDKEFTL-UHFFFAOYSA-N 0 0 306.365 3.276 20 10 DGCDRN COC(=O)c1cnc(-c2cncc(SC)c2)c2ccn(C)c21 ZINC001242948073 1102433798 /nfs/dbraw/zinc/43/37/98/1102433798.db2.gz RZJADAYQVIYVQK-UHFFFAOYSA-N 0 0 313.382 3.144 20 10 DGCDRN CC(C)Cn1ccc(-c2cnccc2Br)cc1=O ZINC001243057066 1102503410 /nfs/dbraw/zinc/50/34/10/1102503410.db2.gz NYBSYPRJVWGIAH-UHFFFAOYSA-N 0 0 307.191 3.329 20 10 DGCDRN Cc1ncc(-c2ccn(Cc3ccc(F)cc3)c(=O)c2)s1 ZINC001243381031 1102695288 /nfs/dbraw/zinc/69/52/88/1102695288.db2.gz ILNHUWNCXAYMPD-UHFFFAOYSA-N 0 0 300.358 3.468 20 10 DGCDRN Nc1ncccc1-c1ncnc2c1ccn2Cc1ccc(F)cc1 ZINC001243470459 1102742350 /nfs/dbraw/zinc/74/23/50/1102742350.db2.gz LHMZWLYZQILQTC-UHFFFAOYSA-N 0 0 319.343 3.263 20 10 DGCDRN Cc1nocc1-c1nnc(C)cc1-c1nc2ccccc2n1C ZINC001243672436 1102908739 /nfs/dbraw/zinc/90/87/39/1102908739.db2.gz SXIROSUPHKYCQI-UHFFFAOYSA-N 0 0 305.341 3.302 20 10 DGCDRN Brc1cnccc1CNCc1ccc2c(c1)CCO2 ZINC000686577189 1103049995 /nfs/dbraw/zinc/04/99/95/1103049995.db2.gz NYPHRTYBCLRMSN-UHFFFAOYSA-N 0 0 319.202 3.069 20 10 DGCDRN O=C1CCCc2cc(-c3ccc(C4=S=CC=C4)nn3)ccc21 ZINC001243986076 1103107940 /nfs/dbraw/zinc/10/79/40/1103107940.db2.gz JRZHOXBBOGOSKY-UHFFFAOYSA-N 0 0 306.390 3.288 20 10 DGCDRN COCCn1ccc2c1ncnc2-c1ccccc1N1CCCC1 ZINC001244180316 1103259421 /nfs/dbraw/zinc/25/94/21/1103259421.db2.gz NLRLNKJABKUDIG-UHFFFAOYSA-N 0 0 322.412 3.345 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)/C=C/C=C(Cl)Cl)c1 ZINC001545684266 1103365553 /nfs/dbraw/zinc/36/55/53/1103365553.db2.gz QDBIBKGTRACJBF-SGRBOOSSSA-N 0 0 316.184 3.453 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2ncc(Cl)s2)cc1 ZINC001326798187 1103446116 /nfs/dbraw/zinc/44/61/16/1103446116.db2.gz GNJBWRKWBWMYIY-UHFFFAOYSA-N 0 0 309.822 3.135 20 10 DGCDRN CCOc1ncc(-c2ccn(Cc3cccnc3)c(=O)c2)cc1C ZINC001244684773 1103622148 /nfs/dbraw/zinc/62/21/48/1103622148.db2.gz SWBLVQWWMCZMEL-UHFFFAOYSA-N 0 0 321.380 3.061 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H](C)n1cccc1 ZINC001327341389 1103625886 /nfs/dbraw/zinc/62/58/86/1103625886.db2.gz OECPFPWGTLSWIA-JKSUJKDBSA-N 0 0 313.445 3.171 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H](C)n1cccc1 ZINC001327341385 1103626038 /nfs/dbraw/zinc/62/60/38/1103626038.db2.gz OECPFPWGTLSWIA-HOTGVXAUSA-N 0 0 313.445 3.171 20 10 DGCDRN C[C@@H](c1cccnc1)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001626155705 1103686776 /nfs/dbraw/zinc/68/67/76/1103686776.db2.gz WYNCDVXDWGIXAN-NSHDSACASA-N 0 0 311.345 3.077 20 10 DGCDRN Cc1cc(Cl)cc(CN2CCO[C@](C)(C(F)F)C2)c1O ZINC001327963673 1103783074 /nfs/dbraw/zinc/78/30/74/1103783074.db2.gz LSFXGHRKELFMAT-AWEZNQCLSA-N 0 0 305.752 3.210 20 10 DGCDRN COCCn1ccc(-c2ccc(C(C)C)nc2Cl)cc1=O ZINC001245104408 1103861830 /nfs/dbraw/zinc/86/18/30/1103861830.db2.gz LMVMLZPZQBBFNK-UHFFFAOYSA-N 0 0 306.793 3.334 20 10 DGCDRN CN1CCC(C)(C)c2cc(C3=CCS(=O)(=O)CC3)ccc21 ZINC001245211175 1103913192 /nfs/dbraw/zinc/91/31/92/1103913192.db2.gz BQFVCTBSQDCUAN-UHFFFAOYSA-N 0 0 305.443 3.006 20 10 DGCDRN COC1CN(C(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)C1 ZINC001328356713 1103921116 /nfs/dbraw/zinc/92/11/16/1103921116.db2.gz XKUQMLQUVSHDFZ-UHFFFAOYSA-N 0 0 318.804 3.218 20 10 DGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C2CC3(CC3(F)F)C2)c1[O-] ZINC001328698067 1104024133 /nfs/dbraw/zinc/02/41/33/1104024133.db2.gz ZZESSSURUCWRJY-UHFFFAOYSA-N 0 0 318.707 3.231 20 10 DGCDRN CSc1cccnc1NC(=O)N1Cc2cccc(O)c2C1 ZINC001626131601 1104081179 /nfs/dbraw/zinc/08/11/79/1104081179.db2.gz YNGZNCDNYKKIPJ-UHFFFAOYSA-N 0 0 301.371 3.057 20 10 DGCDRN Cc1nc(Cl)ccc1-c1ccn(Cc2ccccn2)c(=O)c1 ZINC001245779709 1104233574 /nfs/dbraw/zinc/23/35/74/1104233574.db2.gz WGIIAKAHUNZCSG-UHFFFAOYSA-N 0 0 311.772 3.315 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cnn(C3CCCCC3)c2)c1 ZINC001329545045 1104311434 /nfs/dbraw/zinc/31/14/34/1104311434.db2.gz RIRLBYUAEIITQF-UHFFFAOYSA-N 0 0 313.401 3.332 20 10 DGCDRN Cc1nc(CNCc2cc(F)c(N(C)C)cc2F)sc1C ZINC001329710650 1104369514 /nfs/dbraw/zinc/36/95/14/1104369514.db2.gz MYXZAPZUDLYGMB-UHFFFAOYSA-N 0 0 311.401 3.394 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCc3cc(F)ccc32)c1 ZINC001329730336 1104371411 /nfs/dbraw/zinc/37/14/11/1104371411.db2.gz DWGHVNDJWBMHIA-MRXNPFEDSA-N 0 0 314.360 3.326 20 10 DGCDRN Cc1ccc(O)c(CNS(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC001329806214 1104391209 /nfs/dbraw/zinc/39/12/09/1104391209.db2.gz LRMRYJPHTFOOTN-UHFFFAOYSA-N 0 0 319.426 3.303 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NOC1CCC1 ZINC001330067576 1104469907 /nfs/dbraw/zinc/46/99/07/1104469907.db2.gz RTDKYGZHYMBIIH-UHFFFAOYSA-N 0 0 312.369 3.121 20 10 DGCDRN C[C@@]1(C(F)F)CN(Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001330219519 1104510750 /nfs/dbraw/zinc/51/07/50/1104510750.db2.gz DKQPJUIXKKTGIT-KRWDZBQOSA-N 0 0 310.388 3.143 20 10 DGCDRN CC[C@H](C)N1CC[C@]2(CCN(c3ccc(OC)c(F)c3)C2)C1=O ZINC001274861150 1104524075 /nfs/dbraw/zinc/52/40/75/1104524075.db2.gz GRKBIXFGJNCCHN-UGSOOPFHSA-N 0 0 320.408 3.062 20 10 DGCDRN CCCCN1CC[C@@]2(CCN(c3ccc(OC)cc3C)C2)C1=O ZINC001274874366 1104526689 /nfs/dbraw/zinc/52/66/89/1104526689.db2.gz IAAZSMFJMRLKRR-IBGZPJMESA-N 0 0 316.445 3.233 20 10 DGCDRN CCOC(=O)c1cnc(SCCC(=O)OC(C)(C)C)s1 ZINC001330663981 1104611864 /nfs/dbraw/zinc/61/18/64/1104611864.db2.gz DJQWURNYAIXBAO-UHFFFAOYSA-N 0 0 317.432 3.144 20 10 DGCDRN Oc1cccc2c1CN(C(=S)Nc1c(F)cccc1F)CC2 ZINC001247074460 1104794697 /nfs/dbraw/zinc/79/46/97/1104794697.db2.gz ASCMKCYSQUICTG-UHFFFAOYSA-N 0 0 320.364 3.426 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(-c2noc(C3CC(O)C3)n2)cc1 ZINC001247364599 1104880096 /nfs/dbraw/zinc/88/00/96/1104880096.db2.gz LZWODTCIQGADQW-UHFFFAOYSA-N 0 0 309.369 3.382 20 10 DGCDRN Oc1ccc(Cc2nc(-c3ccc4ccncc4c3)no2)cc1O ZINC001247958904 1105021250 /nfs/dbraw/zinc/02/12/50/1105021250.db2.gz IOVGPAARZJGEDN-UHFFFAOYSA-N 0 0 319.320 3.287 20 10 DGCDRN Oc1ccc(Cc2nc(-c3cc(F)c(F)cc3F)no2)cc1O ZINC001247959514 1105021604 /nfs/dbraw/zinc/02/16/04/1105021604.db2.gz SMEUHXVCLPDWEQ-UHFFFAOYSA-N 0 0 322.242 3.156 20 10 DGCDRN CCc1cccnc1-c1noc(/C=C/c2ccc(O)c(O)c2)n1 ZINC001247980996 1105027903 /nfs/dbraw/zinc/02/79/03/1105027903.db2.gz BLHJPPUTNNMGIM-SOFGYWHQSA-N 0 0 309.325 3.276 20 10 DGCDRN Cc1cc(-c2noc(/C=C/c3ccc(O)c(O)c3)n2)cc(C)n1 ZINC001247982018 1105028057 /nfs/dbraw/zinc/02/80/57/1105028057.db2.gz MARDTMHIVHLIBY-GQCTYLIASA-N 0 0 309.325 3.330 20 10 DGCDRN Cc1cc(-c2noc(/C=C/c3ccc(O)c(O)c3)n2)cnc1C ZINC001247982476 1105028083 /nfs/dbraw/zinc/02/80/83/1105028083.db2.gz PDFJBRRVTSHUDX-GQCTYLIASA-N 0 0 309.325 3.330 20 10 DGCDRN COC(=O)CC[N@H+](C)Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001248885120 1105186467 /nfs/dbraw/zinc/18/64/67/1105186467.db2.gz KQRYDSZUQHOQTC-UHFFFAOYSA-N 0 0 313.825 3.338 20 10 DGCDRN CC(=O)OC1CN(Cc2cc(Cl)c(C(C)(C)C)cc2O)C1 ZINC001248883679 1105186480 /nfs/dbraw/zinc/18/64/80/1105186480.db2.gz NEQDUIQHLGAEIK-UHFFFAOYSA-N 0 0 311.809 3.090 20 10 DGCDRN Oc1ccc(CCc2nc(-c3ccc(F)cc3)no2)cc1O ZINC001248984155 1105209037 /nfs/dbraw/zinc/20/90/37/1105209037.db2.gz OCOTZKQCJFPUEJ-UHFFFAOYSA-N 0 0 300.289 3.072 20 10 DGCDRN CC(=O)c1ccccc1-c1noc(CCc2ccc(O)c(O)c2)n1 ZINC001248983253 1105209278 /nfs/dbraw/zinc/20/92/78/1105209278.db2.gz BVGDYKCIUTVHEE-UHFFFAOYSA-N 0 0 324.336 3.136 20 10 DGCDRN CC1(C)C=Cc2c(O)c(CN3CC4(C3)CCCCO4)ccc2O1 ZINC001249230374 1105251307 /nfs/dbraw/zinc/25/13/07/1105251307.db2.gz FERGPCCDWLLWNC-UHFFFAOYSA-N 0 0 315.413 3.331 20 10 DGCDRN CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249252162 1105256227 /nfs/dbraw/zinc/25/62/27/1105256227.db2.gz HHXLTADZULHNED-INIZCTEOSA-N 0 0 317.429 3.312 20 10 DGCDRN Cc1ncc(CN2CCc3cccc(O)c3C2)c(C(F)(F)F)n1 ZINC001249400276 1105279642 /nfs/dbraw/zinc/27/96/42/1105279642.db2.gz PCYDVRWWPGAYTB-UHFFFAOYSA-N 0 0 323.318 3.068 20 10 DGCDRN C[C@@H](NC(=S)Nc1cccc(O)c1O)c1ccc(F)cc1 ZINC001249604223 1105330217 /nfs/dbraw/zinc/33/02/17/1105330217.db2.gz MSFPIALVGIJJET-SECBINFHSA-N 0 0 306.362 3.285 20 10 DGCDRN COc1ccc(C)cc1NC(=S)NCc1ncccc1F ZINC001249674578 1105351324 /nfs/dbraw/zinc/35/13/24/1105351324.db2.gz SUDLTRZESNQXAQ-UHFFFAOYSA-N 0 0 305.378 3.024 20 10 DGCDRN COc1ccc(C)cc1NC(=S)NCc1ccc(F)cn1 ZINC001249678483 1105353014 /nfs/dbraw/zinc/35/30/14/1105353014.db2.gz SLHDEONYUUAXOF-UHFFFAOYSA-N 0 0 305.378 3.024 20 10 DGCDRN COc1c(Cl)ccc(F)c1N(CCO)c1ccc(N)cc1 ZINC001250102836 1105442985 /nfs/dbraw/zinc/44/29/85/1105442985.db2.gz ROBOOUYGLDZTBQ-UHFFFAOYSA-N 0 0 310.756 3.200 20 10 DGCDRN Cc1c(CN(C)Cc2ccc(N(C)C)cc2)nc2ccccn21 ZINC001137274039 1105469792 /nfs/dbraw/zinc/46/97/92/1105469792.db2.gz DFXKZOWXZIOGOV-UHFFFAOYSA-N 0 0 308.429 3.341 20 10 DGCDRN C[C@H](C(=O)NCCc1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC001137464460 1105526442 /nfs/dbraw/zinc/52/64/42/1105526442.db2.gz ARIWWVIFRIRDKU-NSHDSACASA-N 0 0 319.788 3.214 20 10 DGCDRN C[C@@H](C(=O)NCCc1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC001137464459 1105526743 /nfs/dbraw/zinc/52/67/43/1105526743.db2.gz ARIWWVIFRIRDKU-LLVKDONJSA-N 0 0 319.788 3.214 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(F)c2C)c1 ZINC001137473242 1105528191 /nfs/dbraw/zinc/52/81/91/1105528191.db2.gz CVCQUYHDIGHVPB-LLVKDONJSA-N 0 0 303.333 3.339 20 10 DGCDRN COc1ccc2nc(-c3ccc(N4CCOCC4)cc3)n(C)c2c1 ZINC001250704686 1105563225 /nfs/dbraw/zinc/56/32/25/1105563225.db2.gz YVEWBGPDJWPZOJ-UHFFFAOYSA-N 0 0 323.396 3.086 20 10 DGCDRN COc1cccc2[nH]c(-c3ccc(N4CCOCC4)cc3)nc21 ZINC001250702471 1105563801 /nfs/dbraw/zinc/56/38/01/1105563801.db2.gz FKARDPHLZUANGL-UHFFFAOYSA-N 0 0 309.369 3.075 20 10 DGCDRN CCCOc1ccccc1NC[C@H](O)COc1cccc(F)c1 ZINC001250814492 1105588606 /nfs/dbraw/zinc/58/86/06/1105588606.db2.gz LYVZJIYHXTUOHT-HNNXBMFYSA-N 0 0 319.376 3.466 20 10 DGCDRN CCOc1ccccc1NC[C@H](O)COc1cccc(F)c1 ZINC001250817041 1105589186 /nfs/dbraw/zinc/58/91/86/1105589186.db2.gz XOBAONLLTXFGDK-AWEZNQCLSA-N 0 0 305.349 3.076 20 10 DGCDRN CCOc1ccc2nc(-c3cc(O)c(O)c(O)c3)n(CC)c2c1 ZINC001251248385 1105643860 /nfs/dbraw/zinc/64/38/60/1105643860.db2.gz OJTBKPLKKAPUSV-UHFFFAOYSA-N 0 0 314.341 3.239 20 10 DGCDRN Oc1cc(-c2nc3cc(F)ccc3n2C2CC2)cc(O)c1O ZINC001251248195 1105643952 /nfs/dbraw/zinc/64/39/52/1105643952.db2.gz DZTHWURMLMDPBC-UHFFFAOYSA-N 0 0 300.289 3.294 20 10 DGCDRN CCCOc1ccc2nc(-c3cc(O)c(O)cc3O)n(C)c2c1 ZINC001251355664 1105652412 /nfs/dbraw/zinc/65/24/12/1105652412.db2.gz ZTRPTRFKBUVIOM-UHFFFAOYSA-N 0 0 314.341 3.146 20 10 DGCDRN CCOc1ccc2nc(-c3cc(O)c(O)cc3O)n(CC)c2c1 ZINC001251355438 1105652491 /nfs/dbraw/zinc/65/24/91/1105652491.db2.gz LCKZASZNHJWCNP-UHFFFAOYSA-N 0 0 314.341 3.239 20 10 DGCDRN COc1cc(O)ccc1NS(=O)(=O)c1c(C)cc(C)cc1C ZINC001251496579 1105664083 /nfs/dbraw/zinc/66/40/83/1105664083.db2.gz JKHMGBQTPWIVBX-UHFFFAOYSA-N 0 0 321.398 3.127 20 10 DGCDRN COc1cccc(CNC(=O)NC[C@@H]2CCCC(C)(C)C2)c1O ZINC001251913400 1105709068 /nfs/dbraw/zinc/70/90/68/1105709068.db2.gz CDTMODCCGPNBDL-CYBMUJFWSA-N 0 0 320.433 3.416 20 10 DGCDRN Oc1cc(-c2nnc(-c3ccc(Cl)cc3)o2)cc(O)c1O ZINC001252714677 1105819856 /nfs/dbraw/zinc/81/98/56/1105819856.db2.gz CCLQVLXMUHGTCS-UHFFFAOYSA-N 0 0 304.689 3.174 20 10 DGCDRN COC(C)(C)c1noc(-c2cc(C)n(-c3ccccn3)c2C)n1 ZINC001252754742 1105824932 /nfs/dbraw/zinc/82/49/32/1105824932.db2.gz LEARVUGFVQLRPA-UHFFFAOYSA-N 0 0 312.373 3.421 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2C=CCCC2)cc1 ZINC001252860934 1105845650 /nfs/dbraw/zinc/84/56/50/1105845650.db2.gz QXJRMHLGCZMISK-MRXNPFEDSA-N 0 0 301.434 3.441 20 10 DGCDRN C[C@H](NS(=O)(=O)/C=C/c1ccccc1)c1ccccc1O ZINC001253072685 1105884956 /nfs/dbraw/zinc/88/49/56/1105884956.db2.gz ZHCOERGJQYGXEH-YLSINNKHSA-N 0 0 303.383 3.044 20 10 DGCDRN CC(C)(C)[C@H](O)CNc1cccc2c1C(=O)c1ccccc1C2=O ZINC001253714723 1105972953 /nfs/dbraw/zinc/97/29/53/1105972953.db2.gz LOHLIDAQYKBXGZ-MRXNPFEDSA-N 0 0 323.392 3.281 20 10 DGCDRN COc1ccc(C(=O)c2ccccc2NC[C@@H](O)C(C)C)cc1 ZINC001253774458 1105984875 /nfs/dbraw/zinc/98/48/75/1105984875.db2.gz QXUQCYXNMHQFLQ-GOSISDBHSA-N 0 0 313.397 3.355 20 10 DGCDRN CCC/C(C)=C/C(=O)N1CCN(c2ccc(OCC)cc2)CC1 ZINC001253863172 1105997342 /nfs/dbraw/zinc/99/73/42/1105997342.db2.gz CYGIZKZTQISROM-FOCLMDBBSA-N 0 0 316.445 3.480 20 10 DGCDRN Nc1ccc(CCn2cc(-c3cccc4cccnc43)nn2)cc1 ZINC001254081556 1106015696 /nfs/dbraw/zinc/01/56/96/1106015696.db2.gz VMYXHHHYUHCKIF-UHFFFAOYSA-N 0 0 315.380 3.318 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H](CF)c2ccc(F)cc2)c1 ZINC001254461949 1106076182 /nfs/dbraw/zinc/07/61/82/1106076182.db2.gz KLZBVHJFLWTBEW-OAHLLOKOSA-N 0 0 320.339 3.350 20 10 DGCDRN O=C(N[C@@H]1CCCc2ccccc2C1)N1Cc2cccc(O)c2C1 ZINC001256003282 1106355690 /nfs/dbraw/zinc/35/56/90/1106355690.db2.gz YDDNPXKOMBLZPO-QGZVFWFLSA-N 0 0 322.408 3.365 20 10 DGCDRN COc1ccc(C(=O)Nc2c3nonc3ccc2Cl)cc1F ZINC001256175195 1106384147 /nfs/dbraw/zinc/38/41/47/1106384147.db2.gz GKYCWORDAHMSKL-UHFFFAOYSA-N 0 0 321.695 3.276 20 10 DGCDRN Cc1cc(C)n(Cc2nnc(-c3ccc(-n4cccc4)cc3)o2)n1 ZINC001256951307 1106514488 /nfs/dbraw/zinc/51/44/88/1106514488.db2.gz FTTMJRBKJPHJKD-UHFFFAOYSA-N 0 0 319.368 3.389 20 10 DGCDRN c1ccn(-c2ccc(-c3nnc(-c4cc5n(n4)CCC5)o3)cc2)c1 ZINC001256946652 1106514515 /nfs/dbraw/zinc/51/45/15/1106514515.db2.gz FXBGZNIVWSYGTE-UHFFFAOYSA-N 0 0 317.352 3.337 20 10 DGCDRN c1ccn(-c2ccc(-c3nnc(CCc4ncc[nH]4)o3)cc2)c1 ZINC001256957648 1106515244 /nfs/dbraw/zinc/51/52/44/1106515244.db2.gz YNOKFAARSYSCII-UHFFFAOYSA-N 0 0 305.341 3.036 20 10 DGCDRN CC(C)CC(=O)NCc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256961573 1106516243 /nfs/dbraw/zinc/51/62/43/1106516243.db2.gz QQOBWQQKFFOERS-UHFFFAOYSA-N 0 0 324.384 3.190 20 10 DGCDRN COc1cc(-c2nnc(Cc3ccccc3C)o2)cc(O)c1O ZINC001258462776 1106758471 /nfs/dbraw/zinc/75/84/71/1106758471.db2.gz LRZYARJCVLMIQZ-UHFFFAOYSA-N 0 0 312.325 3.056 20 10 DGCDRN C[C@@H](NC(=O)c1c2ccccc2nn1C)c1ccc(N(C)C)cc1 ZINC001320404385 1106995279 /nfs/dbraw/zinc/99/52/79/1106995279.db2.gz ZJZSMYNBWFSQPH-CYBMUJFWSA-N 0 0 322.412 3.130 20 10 DGCDRN CN(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001320640536 1107085140 /nfs/dbraw/zinc/08/51/40/1107085140.db2.gz SJSVFOCVXOSFKO-UONOGXRCSA-N 0 0 300.805 3.147 20 10 DGCDRN CCc1nnc(NC(=O)c2sccc2-n2c(C)ccc2C)[nH]1 ZINC001320708907 1107113660 /nfs/dbraw/zinc/11/36/60/1107113660.db2.gz UWULWHRQGAEPST-UHFFFAOYSA-N 0 0 315.402 3.088 20 10 DGCDRN CCN(Cc1ccccc1F)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001320754261 1107126432 /nfs/dbraw/zinc/12/64/32/1107126432.db2.gz PRZBMJHHESWQFB-CSKARUKUSA-N 0 0 315.344 3.299 20 10 DGCDRN Cc1ccc(S(=O)(=O)Nc2cccc(N(C)C)c2)cc1F ZINC001259480417 1107147328 /nfs/dbraw/zinc/14/73/28/1107147328.db2.gz DWTLLEJHXNPKEZ-UHFFFAOYSA-N 0 0 308.378 3.001 20 10 DGCDRN Cc1c(C)c(NS(=O)(=O)CCc2cccc(F)c2)ccc1O ZINC001259773182 1107194746 /nfs/dbraw/zinc/19/47/46/1107194746.db2.gz KXVBBOLAJGKXLF-UHFFFAOYSA-N 0 0 323.389 3.133 20 10 DGCDRN Cc1cc(O)cc(C)c1NS(=O)(=O)CCc1cccc(F)c1 ZINC001259774792 1107194760 /nfs/dbraw/zinc/19/47/60/1107194760.db2.gz OUMLIIOXHZCFAG-UHFFFAOYSA-N 0 0 323.389 3.133 20 10 DGCDRN CCOc1ncccc1C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC001321024310 1107225372 /nfs/dbraw/zinc/22/53/72/1107225372.db2.gz RYSAETMPGKVXIE-SNVBAGLBSA-N 0 0 308.328 3.315 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)c1cccnc1Cl ZINC001322263501 1107600177 /nfs/dbraw/zinc/60/01/77/1107600177.db2.gz HSESIXUZJWGIPP-UHFFFAOYSA-N 0 0 309.112 3.177 20 10 DGCDRN C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)NCc1ccc(N)cc1 ZINC001262603222 1107735975 /nfs/dbraw/zinc/73/59/75/1107735975.db2.gz BCXMJDDFOHZNLQ-ZWNOBZJWSA-N 0 0 315.339 3.141 20 10 DGCDRN COc1cccc(CNc2nc(C3CC3)nc3c2CCC3)c1O ZINC001323205213 1107880420 /nfs/dbraw/zinc/88/04/20/1107880420.db2.gz BZRMURUCDISLAX-UHFFFAOYSA-N 0 0 311.385 3.169 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C[C@@H]2CCNc3ccccc32)cc1 ZINC001263093198 1107943204 /nfs/dbraw/zinc/94/32/04/1107943204.db2.gz SECUBKHNBWDONM-INIZCTEOSA-N 0 0 323.440 3.358 20 10 DGCDRN CCC[C@H]1C[C@@H](C(=O)Nc2c3nonc3ccc2Cl)CCO1 ZINC001323420854 1107969071 /nfs/dbraw/zinc/96/90/71/1107969071.db2.gz ZOSXNTLMGMAIOD-UWVGGRQHSA-N 0 0 323.780 3.410 20 10 DGCDRN CN(C)c1ccc(C(=O)Nc2c3nonc3ccc2Cl)cc1 ZINC001323418565 1107969385 /nfs/dbraw/zinc/96/93/85/1107969385.db2.gz MJRPQRGAUBUPRL-UHFFFAOYSA-N 0 0 316.748 3.195 20 10 DGCDRN COc1cccc(CNC(=O)NC[C@H]2C[C@@H]2C2CCCC2)c1O ZINC001263780179 1108200127 /nfs/dbraw/zinc/20/01/27/1108200127.db2.gz YDBMNWMQAWWUKK-HUUCEWRRSA-N 0 0 318.417 3.026 20 10 DGCDRN CC(C)(CC(=O)NCc1cccc(O)c1O)CC(F)(F)F ZINC001263896156 1108289187 /nfs/dbraw/zinc/28/91/87/1108289187.db2.gz QFXNIKQYLLAKQE-UHFFFAOYSA-N 0 0 305.296 3.083 20 10 DGCDRN O=C(N[C@H]1CCCC[C@H]1CC(F)(F)F)c1cccc(O)c1O ZINC001324488778 1108310746 /nfs/dbraw/zinc/31/07/46/1108310746.db2.gz VZCUYIFSJDDPLZ-ONGXEEELSA-N 0 0 317.307 3.339 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCC[C@@H]1CCc2ccccc21 ZINC001324511906 1108323207 /nfs/dbraw/zinc/32/32/07/1108323207.db2.gz AMHNZOHBARJAKX-DHINHOHASA-N 0 0 323.392 3.347 20 10 DGCDRN Cc1cc(C(=O)NCc2ccccc2O)c(C)n1Cc1ccco1 ZINC001319456241 1108476360 /nfs/dbraw/zinc/47/63/60/1108476360.db2.gz QYFLQBSQCJFIGJ-UHFFFAOYSA-N 0 0 324.380 3.382 20 10 DGCDRN Cc1cc(O)c(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1C ZINC001319561885 1108528280 /nfs/dbraw/zinc/52/82/80/1108528280.db2.gz JZIZFORXIJQMAN-UHFFFAOYSA-N 0 0 312.369 3.476 20 10 DGCDRN O=S(=O)(Nc1ccc(O)c(F)c1)c1cccc2ccccc21 ZINC000389560172 1108656275 /nfs/dbraw/zinc/65/62/75/1108656275.db2.gz BFYVBPRGUFGWMC-UHFFFAOYSA-N 0 0 317.341 3.485 20 10 DGCDRN O=[N+]([O-])c1ccc2c(c1)CN(Cc1cc(Cl)ccc1O)C2 ZINC001319948733 1108710867 /nfs/dbraw/zinc/71/08/67/1108710867.db2.gz RHALTQIHSOSRJJ-UHFFFAOYSA-N 0 0 304.733 3.470 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001265094117 1108730845 /nfs/dbraw/zinc/73/08/45/1108730845.db2.gz PYVBPXDTQWPQJY-QGZVFWFLSA-N 0 0 318.461 3.273 20 10 DGCDRN Cn1cnc(/C=C\C(=O)N(Cc2cscn2)c2ccccc2)c1 ZINC001265128823 1108744310 /nfs/dbraw/zinc/74/43/10/1108744310.db2.gz RLVAYVLWYHHCJD-FPLPWBNLSA-N 0 0 324.409 3.123 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC001287542655 1110119412 /nfs/dbraw/zinc/11/94/12/1110119412.db2.gz OTPJOLFWBCELFF-IEBWSBKVSA-N 0 0 324.424 3.391 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cc(F)cc3ccncc32)c1 ZINC001301046485 1111079822 /nfs/dbraw/zinc/07/98/22/1111079822.db2.gz CKRMZMPOEVFITI-UHFFFAOYSA-N 0 0 310.328 3.318 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cc(Cl)c(F)cc2N)c1 ZINC001301046683 1111080081 /nfs/dbraw/zinc/08/00/81/1111080081.db2.gz HQDHPEXHQBJIIH-UHFFFAOYSA-N 0 0 308.740 3.005 20 10 DGCDRN C[C@@H](NC(=O)C[C@H](O)c1ccc(Cl)cc1)c1ccccc1O ZINC001302530350 1111117425 /nfs/dbraw/zinc/11/74/25/1111117425.db2.gz MGTAEOHEAAUMPS-BZNIZROVSA-N 0 0 319.788 3.347 20 10 DGCDRN O=C(c1cccnc1SC(F)F)N1Cc2cccc(O)c2C1 ZINC001302788568 1111125525 /nfs/dbraw/zinc/12/55/25/1111125525.db2.gz XWLORCOLWDVHHC-UHFFFAOYSA-N 0 0 322.336 3.258 20 10 DGCDRN O=C(Cc1cccc(C(F)F)c1)N1Cc2cccc(O)c2C1 ZINC001302787946 1111125544 /nfs/dbraw/zinc/12/55/44/1111125544.db2.gz QGFLAUVWWLPJPN-UHFFFAOYSA-N 0 0 303.308 3.415 20 10 DGCDRN O=C(Cc1ccc(C(F)(F)F)cc1)N1Cc2cccc(O)c2C1 ZINC001302788122 1111125583 /nfs/dbraw/zinc/12/55/83/1111125583.db2.gz ULIWUUYDPGYFCT-UHFFFAOYSA-N 0 0 321.298 3.496 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cc([N+](=O)[O-])ccc1Cl ZINC001303877340 1111156593 /nfs/dbraw/zinc/15/65/93/1111156593.db2.gz AYZYEBKYULPWIP-UHFFFAOYSA-N 0 0 324.695 3.023 20 10 DGCDRN CC[S@@](C)(=O)=NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC001303903229 1111157438 /nfs/dbraw/zinc/15/74/38/1111157438.db2.gz ORDGMDLDQIPWEF-JOCHJYFZSA-N 0 0 322.405 3.491 20 10 DGCDRN CN(C(=O)C1=CC(=O)CS1)c1ccc(Br)cc1 ZINC001303930730 1111158035 /nfs/dbraw/zinc/15/80/35/1111158035.db2.gz XHJCCCADSRWPFZ-UHFFFAOYSA-N 0 0 312.188 3.493 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1cccc2c1CCC2 ZINC001305069538 1111192799 /nfs/dbraw/zinc/19/27/99/1111192799.db2.gz JAMRTJNFYZCVHK-UHFFFAOYSA-N 0 0 301.773 3.464 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1scnc1Cl ZINC001305069854 1111192982 /nfs/dbraw/zinc/19/29/82/1111192982.db2.gz RVZQLIXPYXZXLQ-UHFFFAOYSA-N 0 0 303.170 3.086 20 10 DGCDRN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NCCCCO ZINC001307111209 1111266793 /nfs/dbraw/zinc/26/67/93/1111266793.db2.gz LMAWRCRSYPWOSF-UHFFFAOYSA-N 0 0 314.341 3.010 20 10 DGCDRN CN(C)c1ccc(/C=C/CNc2ccc3[nH]c(=O)n(C)c3c2)cc1 ZINC001308430151 1111427910 /nfs/dbraw/zinc/42/79/10/1111427910.db2.gz GEPWGAYZQRNFJY-SNAWJCMRSA-N 0 0 322.412 3.470 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1cnccc1C(F)(F)F ZINC001308470169 1111432104 /nfs/dbraw/zinc/43/21/04/1111432104.db2.gz CBCFCQXUJNVZRU-UHFFFAOYSA-N 0 0 318.245 3.374 20 10 DGCDRN CC1(C)CC[C@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)OC1 ZINC001308503038 1111435419 /nfs/dbraw/zinc/43/54/19/1111435419.db2.gz KTYOQYOTAXNCQL-SNVBAGLBSA-N 0 0 301.789 3.480 20 10 DGCDRN CCOC(=O)CN(C/C=C\c1ccc(N(C)C)cc1)CC(C)C ZINC001308559105 1111443802 /nfs/dbraw/zinc/44/38/02/1111443802.db2.gz CIGFMVVKKOAGCI-FPLPWBNLSA-N 0 0 318.461 3.287 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1c[nH]nc1-c1ccccn1 ZINC001308657819 1111456956 /nfs/dbraw/zinc/45/69/56/1111456956.db2.gz UGIQSCVZXFLWGI-UHFFFAOYSA-N 0 0 307.401 3.458 20 10 DGCDRN CC[C@@H]1C[N@H+](CC)CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC001308766613 1111472734 /nfs/dbraw/zinc/47/27/34/1111472734.db2.gz NCRQULDYDCGPTG-GFCCVEGCSA-N 0 0 300.805 3.101 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC001308847468 1111483603 /nfs/dbraw/zinc/48/36/03/1111483603.db2.gz DDXCYCKMCOBLJA-DYVFJYSZSA-N 0 0 320.339 3.075 20 10 DGCDRN CN1CCc2cc(NCc3ccc(Cl)cc3O)ccc2C1=O ZINC001308854366 1111484900 /nfs/dbraw/zinc/48/49/00/1111484900.db2.gz LORAYOHZJRDSRM-UHFFFAOYSA-N 0 0 316.788 3.286 20 10 DGCDRN CC[C@H]([NH2+]Cc1cc(F)c(F)cc1[O-])[C@H](O)c1ccccc1 ZINC001308931838 1111495957 /nfs/dbraw/zinc/49/59/57/1111495957.db2.gz VQIDDMLZZZFJHG-DOTOQJQBSA-N 0 0 307.340 3.272 20 10 DGCDRN Oc1cc(F)c(Cl)cc1CNc1ccccc1-n1nccn1 ZINC001308941742 1111497162 /nfs/dbraw/zinc/49/71/62/1111497162.db2.gz AEXMNOLMNMJILE-UHFFFAOYSA-N 0 0 318.739 3.378 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@]1(C)CC1(C)C ZINC001311945111 1111628041 /nfs/dbraw/zinc/62/80/41/1111628041.db2.gz RYRKYWSCAGNIRQ-GOSISDBHSA-N 0 0 303.450 3.296 20 10 DGCDRN Cc1cccc(C)c1CNC(=O)NCc1c(O)cccc1F ZINC001312344794 1111648175 /nfs/dbraw/zinc/64/81/75/1111648175.db2.gz ZRTHFIRZXQVQEF-UHFFFAOYSA-N 0 0 302.349 3.148 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NOC1CCCC1 ZINC001312399672 1111651324 /nfs/dbraw/zinc/65/13/24/1111651324.db2.gz YQUFPZVLJKKLHD-UHFFFAOYSA-N 0 0 317.433 3.302 20 10 DGCDRN CC[C@H](NC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)C1CC1 ZINC001312884992 1111679696 /nfs/dbraw/zinc/67/96/96/1111679696.db2.gz LGABQJUVNKWVAK-KSSFIOAISA-N 0 0 317.477 3.480 20 10 DGCDRN CCc1c(C(=O)NCc2c(C)c3ccccc3n2C)ccn1C ZINC000356175150 529484762 /nfs/dbraw/zinc/48/47/62/529484762.db2.gz YDSJUJUQWPTKBC-UHFFFAOYSA-N 0 0 309.413 3.318 20 10 DGCDRN C[C@H]1CN(C(=O)/C=C\c2cncs2)c2ccc(F)cc2O1 ZINC000493200643 290663239 /nfs/dbraw/zinc/66/32/39/290663239.db2.gz OYCKTOHNNJEFQX-ATPLWMGHSA-N 0 0 304.346 3.110 20 10 DGCDRN CCCC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000103413760 432009108 /nfs/dbraw/zinc/00/91/08/432009108.db2.gz WVDOPTMKMYMFRO-UHFFFAOYSA-N 0 0 302.340 3.444 20 10 DGCDRN C[C@@H](CC[NH2+]Cc1ccc(N2CCCCC2)cc1)CC(=O)[O-] ZINC000277348447 295866353 /nfs/dbraw/zinc/86/63/53/295866353.db2.gz PGSQEVLZTMTIRY-HNNXBMFYSA-N 0 0 304.434 3.267 20 10 DGCDRN C[C@H](CNC(=O)N(C)Cc1ccccc1O)Oc1ccccc1 ZINC000073221696 191294801 /nfs/dbraw/zinc/29/48/01/191294801.db2.gz QIDANALPHMDNBE-CQSZACIVSA-N 0 0 314.385 3.001 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)CSC(F)F ZINC000295823068 535260446 /nfs/dbraw/zinc/26/04/46/535260446.db2.gz CHUPIVIUHQMADP-UHFFFAOYSA-N 0 0 303.374 3.477 20 10 DGCDRN CCC(CC)(CCO)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273566034 534918805 /nfs/dbraw/zinc/91/88/05/534918805.db2.gz JOABBSLMFJAJCJ-LBPRGKRZSA-N 0 0 310.394 3.140 20 10 DGCDRN COc1cccc(CNC(=O)c2scnc2C(C)(C)C)c1O ZINC000080091896 192000394 /nfs/dbraw/zinc/00/03/94/192000394.db2.gz NFOSMGNVROGMRM-UHFFFAOYSA-N 0 0 320.414 3.085 20 10 DGCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CCC1 ZINC000081203137 192235982 /nfs/dbraw/zinc/23/59/82/192235982.db2.gz WRVQWEROMRTQCZ-ZDUSSCGKSA-N 0 0 324.371 3.173 20 10 DGCDRN Cc1ccc(C(=O)N([C@@H](C)c2ccco2)C2CC2)c(O)c1O ZINC000179449417 432059270 /nfs/dbraw/zinc/05/92/70/432059270.db2.gz REZMWZLMCCKGPJ-NSHDSACASA-N 0 0 301.342 3.365 20 10 DGCDRN CC[C@@H](NC(=O)c1ccc(C)c(O)c1O)c1nc(C)cs1 ZINC000179483273 432060133 /nfs/dbraw/zinc/06/01/33/432060133.db2.gz NJHLZTKOMMCPAK-LLVKDONJSA-N 0 0 306.387 3.052 20 10 DGCDRN CCSC1(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000852628787 620635653 /nfs/dbraw/zinc/63/56/53/620635653.db2.gz QIZIVYWEEMMOLJ-UHFFFAOYSA-N 0 0 321.490 3.180 20 10 DGCDRN C[C@H](c1ccccc1)N(Cc1ncnn1C)Cc1ccccc1O ZINC000179646508 432066042 /nfs/dbraw/zinc/06/60/42/432066042.db2.gz BEFOAGDONRMQNL-OAHLLOKOSA-N 0 0 322.412 3.284 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCCOC1 ZINC000171026336 432097061 /nfs/dbraw/zinc/09/70/61/432097061.db2.gz WYWBTODGEIGJPQ-KRWDZBQOSA-N 0 0 316.445 3.062 20 10 DGCDRN O=C(/C=C/c1cccnc1)N1CCC[C@H](O)c2cc(F)ccc21 ZINC000492423964 283721252 /nfs/dbraw/zinc/72/12/52/283721252.db2.gz DSIFNDOHAFCEQI-JZLODUJNSA-N 0 0 312.344 3.094 20 10 DGCDRN O=C(/C=C\c1cncs1)N1CCOc2ccc(Cl)cc21 ZINC000493061180 283731469 /nfs/dbraw/zinc/73/14/69/283731469.db2.gz NZELTVWTQQNFOO-RQOWECAXSA-N 0 0 306.774 3.235 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H](F)C3)ccc21 ZINC000452367893 241396854 /nfs/dbraw/zinc/39/68/54/241396854.db2.gz DZBMTPDIIORJEF-OAHLLOKOSA-N 0 0 318.392 3.089 20 10 DGCDRN COc1cccc(CN2CCO[C@H](c3ccccc3F)C2)c1O ZINC000092975297 193191963 /nfs/dbraw/zinc/19/19/63/193191963.db2.gz BQJAJUDHADREQS-KRWDZBQOSA-N 0 0 317.360 3.113 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cc1ccc(F)cc1 ZINC000471227342 244207164 /nfs/dbraw/zinc/20/71/64/244207164.db2.gz JFUFBMSIGKLQRG-UHFFFAOYSA-N 0 0 310.372 3.485 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)C[C@@H](O)CC(C)(C)C ZINC000487549834 245074505 /nfs/dbraw/zinc/07/45/05/245074505.db2.gz HVPPVQRONODPRZ-CQSZACIVSA-N 0 0 316.445 3.290 20 10 DGCDRN Cc1cccnc1N(C)C(=O)/C=C/c1cnc2ccccc2n1 ZINC000491956221 245598826 /nfs/dbraw/zinc/59/88/26/245598826.db2.gz ATCTTYDXWFXWPL-MDZDMXLPSA-N 0 0 304.353 3.009 20 10 DGCDRN Nc1ccc(NC(=O)c2ccc(Br)cc2F)cc1 ZINC000019428811 182123197 /nfs/dbraw/zinc/12/31/97/182123197.db2.gz KYPJDNBAHLSHRT-UHFFFAOYSA-N 0 0 309.138 3.423 20 10 DGCDRN COc1ccc(Br)c(C(=O)Nc2ccc(N)cc2)c1 ZINC000019519082 182127255 /nfs/dbraw/zinc/12/72/55/182127255.db2.gz WVHSRUTYUHSRKY-UHFFFAOYSA-N 0 0 321.174 3.292 20 10 DGCDRN O=C(/C=C\c1cncs1)N(CC(F)(F)F)c1ccccn1 ZINC000493731272 246051761 /nfs/dbraw/zinc/05/17/61/246051761.db2.gz ZXNZBLLDHCSVIA-PLNGDYQASA-N 0 0 313.304 3.147 20 10 DGCDRN Cc1ncc(/C=C/C(=O)N(C)c2cnc3ccccc3n2)s1 ZINC000493803523 246072514 /nfs/dbraw/zinc/07/25/14/246072514.db2.gz OYXUXNZVEMSGAV-BQYQJAHWSA-N 0 0 310.382 3.071 20 10 DGCDRN CCn1cc(-c2n[nH]cc2C(=O)N2C[C@@H](C)c3ccccc32)cn1 ZINC000495013875 246225093 /nfs/dbraw/zinc/22/50/93/246225093.db2.gz AFTQOGIPGQJWKS-GFCCVEGCSA-N 0 0 321.384 3.057 20 10 DGCDRN CN(C)C(=O)CCCCSc1ncc(-c2ccccc2)n1C ZINC000106405076 194209656 /nfs/dbraw/zinc/20/96/56/194209656.db2.gz XKOONRBZFYPZJQ-UHFFFAOYSA-N 0 0 317.458 3.438 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCCCOC(C)C ZINC000066688239 184424192 /nfs/dbraw/zinc/42/41/92/184424192.db2.gz WSHHBFHFMKLBJT-UHFFFAOYSA-N 0 0 308.422 3.129 20 10 DGCDRN CSc1cncc(N2CC=C(c3c[nH]c4ncccc34)CC2)n1 ZINC000350827021 533062923 /nfs/dbraw/zinc/06/29/23/533062923.db2.gz OCCZXPRNSOVDQC-UHFFFAOYSA-N 0 0 323.425 3.369 20 10 DGCDRN O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1cncs1 ZINC000129949694 285210042 /nfs/dbraw/zinc/21/00/42/285210042.db2.gz LEALMVIXINBAKT-UITAMQMPSA-N 0 0 315.785 3.451 20 10 DGCDRN COc1csc(C(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000348663485 533165537 /nfs/dbraw/zinc/16/55/37/533165537.db2.gz UFWSVEPATSREMT-UHFFFAOYSA-N 0 0 314.410 3.487 20 10 DGCDRN CC(C)[C@@H]1C[C@H](CC(=O)NCc2ccc(N(C)C)cc2)CCO1 ZINC000273030693 130083411 /nfs/dbraw/zinc/08/34/11/130083411.db2.gz YAVDGLALBGTPFQ-AEFFLSMTSA-N 0 0 318.461 3.210 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)c1[O-] ZINC000273049016 130085073 /nfs/dbraw/zinc/08/50/73/130085073.db2.gz JZDIGYHKSYAKJN-SJORKVTESA-N 0 0 323.820 3.295 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)c1[O-] ZINC000273049013 130085080 /nfs/dbraw/zinc/08/50/80/130085080.db2.gz JZDIGYHKSYAKJN-DLBZAZTESA-N 0 0 323.820 3.295 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCCOC(C)C)c1 ZINC000273395261 130116243 /nfs/dbraw/zinc/11/62/43/130116243.db2.gz FILWDUWNESKRKW-CYBMUJFWSA-N 0 0 309.406 3.035 20 10 DGCDRN C[C@@H]([NH2+]CCOc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273418019 130119232 /nfs/dbraw/zinc/11/92/32/130119232.db2.gz RHYNBPSKUUMEAM-GFCCVEGCSA-N 0 0 302.330 3.030 20 10 DGCDRN C[N@H+](Cc1ccc(OCc2ccccc2)cc1O)[C@H]1CCOC1 ZINC000273497470 130129386 /nfs/dbraw/zinc/12/93/86/130129386.db2.gz NLMRQQYYZOCXSZ-KRWDZBQOSA-N 0 0 313.397 3.192 20 10 DGCDRN C[C@@H]([NH2+]Cc1nc(C2CC2)cs1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273520630 130132223 /nfs/dbraw/zinc/13/22/23/130132223.db2.gz UGOVYPGMDUVHMY-SECBINFHSA-N 0 0 319.386 3.485 20 10 DGCDRN CCc1nc(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cs1 ZINC000273620529 130145718 /nfs/dbraw/zinc/14/57/18/130145718.db2.gz YUNWEUUMELXAKC-JTQLQIEISA-N 0 0 321.402 3.213 20 10 DGCDRN C[C@@H]([NH2+]CCC[C@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000274081289 130204436 /nfs/dbraw/zinc/20/44/36/130204436.db2.gz WFEQQYQEKLLUJE-TZMCWYRMSA-N 0 0 308.378 3.300 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCC[C@@H](C)OC ZINC000283554718 131002621 /nfs/dbraw/zinc/00/26/21/131002621.db2.gz FJBTYOUZSUTATB-CQSZACIVSA-N 0 0 308.422 3.129 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cccnc1C ZINC000285120987 131140880 /nfs/dbraw/zinc/14/08/80/131140880.db2.gz MQIDDPJAYBKIJG-UHFFFAOYSA-N 0 0 311.429 3.047 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(F)cc1[O-] ZINC000286299441 131229172 /nfs/dbraw/zinc/22/91/72/131229172.db2.gz WPLBYIHJPAHRTI-YOEHRIQHSA-N 0 0 303.377 3.348 20 10 DGCDRN COCC(C)(C)CCC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000287257470 131271280 /nfs/dbraw/zinc/27/12/80/131271280.db2.gz ZXQICRBHBMZOAE-CYBMUJFWSA-N 0 0 323.433 3.282 20 10 DGCDRN CC[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cccc(Cl)c1[O-] ZINC000287755857 131299117 /nfs/dbraw/zinc/29/91/17/131299117.db2.gz QOMACJDKSGVESW-JQWIXIFHSA-N 0 0 311.731 3.400 20 10 DGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@@H]2CCCSC2)c1[O-] ZINC000288432695 131324863 /nfs/dbraw/zinc/32/48/63/131324863.db2.gz LDBKUIXXOVYOCZ-VIFPVBQESA-N 0 0 316.810 3.187 20 10 DGCDRN CC(C)n1cc(CN(Cc2ccc(N(C)C)cc2)C2CC2)nn1 ZINC000289084010 131357386 /nfs/dbraw/zinc/35/73/86/131357386.db2.gz KPNOGWBSQORCDJ-UHFFFAOYSA-N 0 0 313.449 3.090 20 10 DGCDRN CCC[C@H](OC)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000297737849 132031640 /nfs/dbraw/zinc/03/16/40/132031640.db2.gz OBYZZBSXCOCWFI-AWEZNQCLSA-N 0 0 324.384 3.150 20 10 DGCDRN CC(C)OCCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298367960 132058725 /nfs/dbraw/zinc/05/87/25/132058725.db2.gz UCARPUYRXIOWHV-UHFFFAOYSA-N 0 0 304.434 3.059 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)CCc2ccncc2)C2CC2)cc1 ZINC000298716420 132075101 /nfs/dbraw/zinc/07/51/01/132075101.db2.gz IQYMLPMMRXRATO-UHFFFAOYSA-N 0 0 323.440 3.271 20 10 DGCDRN CCCc1noc(CN(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000298731311 132075845 /nfs/dbraw/zinc/07/58/45/132075845.db2.gz SNLPXZNEVMSLQG-UHFFFAOYSA-N 0 0 314.433 3.253 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccnc(F)c1 ZINC000299478331 132107640 /nfs/dbraw/zinc/10/76/40/132107640.db2.gz DSMZAKFKULWQKG-UHFFFAOYSA-N 0 0 315.392 3.338 20 10 DGCDRN CCCOc1ccc(CNC(=O)NCc2ccccc2O)cc1 ZINC000299517465 132109550 /nfs/dbraw/zinc/10/95/50/132109550.db2.gz POUCVSVYCRUZPK-UHFFFAOYSA-N 0 0 314.385 3.180 20 10 DGCDRN COc1ccc(NC(C)=O)cc1NCc1ccc(N(C)C)cc1 ZINC000121995508 132161409 /nfs/dbraw/zinc/16/14/09/132161409.db2.gz FOYZACDQTOJYKB-UHFFFAOYSA-N 0 0 313.401 3.332 20 10 DGCDRN COc1cccc(CNc2cc(OC)c([N+](=O)[O-])cc2F)c1O ZINC000091479363 400122672 /nfs/dbraw/zinc/12/26/72/400122672.db2.gz QCEBWZJAQXXYMK-UHFFFAOYSA-N 0 0 322.292 3.069 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)COC1CCCC1 ZINC000045013207 400508238 /nfs/dbraw/zinc/50/82/38/400508238.db2.gz SCJJGWXVBDXWKQ-UHFFFAOYSA-N 0 0 304.434 3.060 20 10 DGCDRN COc1cccc(CNC(=O)N[C@H]2C[C@H]2C2CCCCC2)c1O ZINC000074624215 400522110 /nfs/dbraw/zinc/52/21/10/400522110.db2.gz IPOSAULUYTZEIZ-GJZGRUSLSA-N 0 0 318.417 3.169 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(Cl)nc1 ZINC000046769616 400579766 /nfs/dbraw/zinc/57/97/66/400579766.db2.gz VZWSJIHXQNTBAS-UHFFFAOYSA-N 0 0 315.804 3.265 20 10 DGCDRN C[C@@H]1CN(c2ccc(CNc3ccccn3)cc2F)C[C@@H](C)O1 ZINC000052457076 400732283 /nfs/dbraw/zinc/73/22/83/400732283.db2.gz HNYKDXBOFGFTHW-ZIAGYGMSSA-N 0 0 315.392 3.446 20 10 DGCDRN CCc1nc(CSc2ncc(-c3ccccc3)n2C)no1 ZINC000052890159 400753507 /nfs/dbraw/zinc/75/35/07/400753507.db2.gz QMHPPSVJQAZAHO-UHFFFAOYSA-N 0 0 300.387 3.325 20 10 DGCDRN Cc1cnc(NCc2ccc(N(C)C)cc2C)c([N+](=O)[O-])c1 ZINC000078664268 400817525 /nfs/dbraw/zinc/81/75/25/400817525.db2.gz FHJHVFMKWAFKPX-UHFFFAOYSA-N 0 0 300.362 3.285 20 10 DGCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1ncccc1Cl ZINC000078256926 400781955 /nfs/dbraw/zinc/78/19/55/400781955.db2.gz RDQULAUABRPQPF-UHFFFAOYSA-N 0 0 317.820 3.208 20 10 DGCDRN C[C@@H]1CN(c2ccc(CNC(=O)C(C)(C)C)cc2F)C[C@H](C)O1 ZINC000055530541 400875649 /nfs/dbraw/zinc/87/56/49/400875649.db2.gz DGSGUJMEJYJETJ-BETUJISGSA-N 0 0 322.424 3.102 20 10 DGCDRN Cc1cccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000181219829 400888223 /nfs/dbraw/zinc/88/82/23/400888223.db2.gz CDWLNAORWHKHJJ-UHFFFAOYSA-N 0 0 311.385 3.492 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)c3ccccc3C)CC2)cc1 ZINC000055877544 400898269 /nfs/dbraw/zinc/89/82/69/400898269.db2.gz GOCLCMHFEHPZNO-UHFFFAOYSA-N 0 0 324.424 3.356 20 10 DGCDRN CN(Cc1ccccn1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000057485664 401009947 /nfs/dbraw/zinc/00/99/47/401009947.db2.gz YOMZVTMYHPNCPD-UHFFFAOYSA-N 0 0 324.428 3.023 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000080605567 400968165 /nfs/dbraw/zinc/96/81/65/400968165.db2.gz GYWOWLUOYVCQRH-UHFFFAOYSA-N 0 0 300.362 3.285 20 10 DGCDRN CC(C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000081203365 401038750 /nfs/dbraw/zinc/03/87/50/401038750.db2.gz CHNQLYSUKGAFNY-LBPRGKRZSA-N 0 0 312.360 3.029 20 10 DGCDRN O=C1[C@@H](Sc2nccs2)CCCN1Cc1ccccc1 ZINC000089685407 401235944 /nfs/dbraw/zinc/23/59/44/401235944.db2.gz AEUQLDOTIYTYPJ-ZDUSSCGKSA-N 0 0 304.440 3.426 20 10 DGCDRN COc1ccc(O)c(CNc2ncnc3sc(C)cc32)c1 ZINC000090092980 401256183 /nfs/dbraw/zinc/25/61/83/401256183.db2.gz XZMIFIOQBGUIDQ-UHFFFAOYSA-N 0 0 301.371 3.326 20 10 DGCDRN c1[nH]c2ncccc2c1C1=CCN(c2cc3c(nn2)CCC3)CC1 ZINC000621742799 401292057 /nfs/dbraw/zinc/29/20/57/401292057.db2.gz SXJJLDLFRSASOG-UHFFFAOYSA-N 0 0 317.396 3.135 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)c2cnn(C)c2)cc1 ZINC000154056692 620636142 /nfs/dbraw/zinc/63/61/42/620636142.db2.gz VCFOVQWSXCGONX-UHFFFAOYSA-N 0 0 308.385 3.104 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000133941921 304844081 /nfs/dbraw/zinc/84/40/81/304844081.db2.gz GQLWMSJRJUNRDV-CYBMUJFWSA-N 0 0 315.244 3.369 20 10 DGCDRN C[C@H]1CCCC[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000424706955 299782388 /nfs/dbraw/zinc/78/23/88/299782388.db2.gz ZSMVFJOIAOMXBX-DZGCQCFKSA-N 0 0 302.418 3.304 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000269186705 432155223 /nfs/dbraw/zinc/15/52/23/432155223.db2.gz DENYZQRASRYDTN-HNNXBMFYSA-N 0 0 318.417 3.073 20 10 DGCDRN CC(C)(CC(=O)NCCc1ccc(O)c(O)c1)c1ccccc1 ZINC000269207744 432155240 /nfs/dbraw/zinc/15/52/40/432155240.db2.gz NOGRHJININEXSX-UHFFFAOYSA-N 0 0 313.397 3.124 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)c1cc(C)nc(COC)n1 ZINC000269356907 432164340 /nfs/dbraw/zinc/16/43/40/432164340.db2.gz LMFGNTCFMMEXLM-UHFFFAOYSA-N 0 0 314.433 3.024 20 10 DGCDRN Cc1ccc(C(=O)N(CC2CCC2)CC(F)(F)F)c(O)c1O ZINC000179537686 228352682 /nfs/dbraw/zinc/35/26/82/228352682.db2.gz HVTJMDIADJLYFF-UHFFFAOYSA-N 0 0 317.307 3.211 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H]1c1ccccc1 ZINC000180898859 228358890 /nfs/dbraw/zinc/35/88/90/228358890.db2.gz AVMPAVKQCNLPLQ-PXUDHTSWSA-N 0 0 309.365 3.475 20 10 DGCDRN Cc1ccc(C(=O)N2CCc3c4ccccc4[nH]c3C2)c(O)c1O ZINC000182942713 228370498 /nfs/dbraw/zinc/37/04/98/228370498.db2.gz WFGGTVSEWWIDQP-UHFFFAOYSA-N 0 0 322.364 3.086 20 10 DGCDRN C[C@@H]([NH2+]C[C@]1(O)CCSC1)c1ccc2ccccc2c1O ZINC000185638802 228395423 /nfs/dbraw/zinc/39/54/23/228395423.db2.gz ZVLJLEAKPVHWOJ-SJKOYZFVSA-N 0 0 303.427 3.064 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc2nccn2c1 ZINC000348671829 229204138 /nfs/dbraw/zinc/20/41/38/229204138.db2.gz ZCMTWGHGNNHNBM-UHFFFAOYSA-N 0 0 318.380 3.064 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)CC[C@H]1CC[C@@H](C)O1 ZINC000348657010 229204886 /nfs/dbraw/zinc/20/48/86/229204886.db2.gz BGKCSFZFJLYPHV-UKRRQHHQSA-N 0 0 314.429 3.451 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1CCCS1 ZINC000349665399 229215857 /nfs/dbraw/zinc/21/58/57/229215857.db2.gz ITLVZWWRHZBWJS-CYBMUJFWSA-N 0 0 317.458 3.182 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)Cc1ccoc1 ZINC000350060120 229219012 /nfs/dbraw/zinc/21/90/12/229219012.db2.gz OOEAKBKUENDVHM-UHFFFAOYSA-N 0 0 311.385 3.421 20 10 DGCDRN COC[C@@H](C)[C@@H](C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000360458171 229397517 /nfs/dbraw/zinc/39/75/17/229397517.db2.gz YBRSTJZBVMHIBL-CHWSQXEVSA-N 0 0 302.418 3.022 20 10 DGCDRN CCC(CC)n1ncc(C(=O)NCc2ccccc2O)c1C ZINC000270232539 432230145 /nfs/dbraw/zinc/23/01/45/432230145.db2.gz GURVXZYSXGKVSZ-UHFFFAOYSA-N 0 0 301.390 3.188 20 10 DGCDRN COCCSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000247861998 432252115 /nfs/dbraw/zinc/25/21/15/432252115.db2.gz WGLAYHPPXVQERS-HNNXBMFYSA-N 0 0 318.442 3.468 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CCc3sccc3C2)cc1OC ZINC000271076777 277389244 /nfs/dbraw/zinc/38/92/44/277389244.db2.gz XENGBPNBHVIBOO-UHFFFAOYSA-N 0 0 320.370 3.236 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN(C)Cc2nccs2)c1O ZINC000177363416 278244038 /nfs/dbraw/zinc/24/40/38/278244038.db2.gz UCOKRYBURHYUTK-UHFFFAOYSA-N 0 0 310.806 3.337 20 10 DGCDRN CC[C@H]([NH2+]CCC1(O)CCOCC1)c1cccc(Cl)c1[O-] ZINC000287108516 288039140 /nfs/dbraw/zinc/03/91/40/288039140.db2.gz QKNYQRHMDUTZQP-AWEZNQCLSA-N 0 0 313.825 3.018 20 10 DGCDRN CC[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cccc(Cl)c1[O-] ZINC000367567672 288091739 /nfs/dbraw/zinc/09/17/39/288091739.db2.gz UZJORKSKAPNKGF-FZMZJTMJSA-N 0 0 305.809 3.367 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000113418791 431349928 /nfs/dbraw/zinc/34/99/28/431349928.db2.gz RDPNOCRWRLVFNI-HUUCEWRRSA-N 0 0 317.335 3.433 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1COc2ccccc21 ZINC000075159457 431457967 /nfs/dbraw/zinc/45/79/67/431457967.db2.gz PULNXOUCGZHDQF-KRWDZBQOSA-N 0 0 323.392 3.063 20 10 DGCDRN CCCC(=O)N(CC)Cc1cc(Br)ccc1O ZINC000075416998 431476356 /nfs/dbraw/zinc/47/63/56/431476356.db2.gz ZWPJIHUCFSUILY-UHFFFAOYSA-N 0 0 300.196 3.303 20 10 DGCDRN COc1cccc(CNc2cccc(-c3n[nH]c(C)n3)c2)c1O ZINC000119813962 431719726 /nfs/dbraw/zinc/71/97/26/431719726.db2.gz TYVWRZMHCDSTGV-UHFFFAOYSA-N 0 0 310.357 3.106 20 10 DGCDRN COCCCCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000122211759 431821030 /nfs/dbraw/zinc/82/10/30/431821030.db2.gz RLNUIQDRSHRZCP-UHFFFAOYSA-N 0 0 318.461 3.452 20 10 DGCDRN COc1cccc(CN2CCc3c4ccccc4[nH]c3C2)c1O ZINC000093758942 431917231 /nfs/dbraw/zinc/91/72/31/431917231.db2.gz RJLMIGYKUYLGCS-UHFFFAOYSA-N 0 0 308.381 3.440 20 10 DGCDRN C[C@H](Cc1ccccc1F)NC(=O)N(C)Cc1ccccc1O ZINC000054623250 431972577 /nfs/dbraw/zinc/97/25/77/431972577.db2.gz FSUMAWRKIVOLRY-CYBMUJFWSA-N 0 0 316.376 3.304 20 10 DGCDRN CCN(CC)c1ccc(C[NH+]2CCC3(CC2)OCCO3)cc1F ZINC000126088534 431941623 /nfs/dbraw/zinc/94/16/23/431941623.db2.gz ODEBJNDODMUXOM-UHFFFAOYSA-N 0 0 322.424 3.011 20 10 DGCDRN CCN(CCCn1ccnc1C)c1ccc(OC)c(OC)c1 ZINC000270654815 432272057 /nfs/dbraw/zinc/27/20/57/432272057.db2.gz PMBHTBDUBGONMT-UHFFFAOYSA-N 0 0 303.406 3.125 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)sc1C ZINC000183414911 432291678 /nfs/dbraw/zinc/29/16/78/432291678.db2.gz DCBVSIBTNHTPKF-JTQLQIEISA-N 0 0 305.399 3.137 20 10 DGCDRN CC[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC000183474559 432295412 /nfs/dbraw/zinc/29/54/12/432295412.db2.gz NLSNQIPKVQZWHU-XJKSGUPXSA-N 0 0 313.397 3.339 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CC[C@@H](C)OC)cc1F ZINC000183463743 432296102 /nfs/dbraw/zinc/29/61/02/432296102.db2.gz NFQSRXVRICWOOD-CYBMUJFWSA-N 0 0 310.413 3.103 20 10 DGCDRN CSc1ccsc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183488119 432297411 /nfs/dbraw/zinc/29/74/11/432297411.db2.gz VINBXLOUBHFMRC-SECBINFHSA-N 0 0 323.439 3.242 20 10 DGCDRN COC(C)(C)C[C@@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000173756596 432298745 /nfs/dbraw/zinc/29/87/45/432298745.db2.gz FMIHEHWTJKOEIF-CQSZACIVSA-N 0 0 321.465 3.098 20 10 DGCDRN CC[C@@H]1C[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)CCO1 ZINC000183525947 432299894 /nfs/dbraw/zinc/29/98/94/432299894.db2.gz WMRRANQEUAMGKC-FUHWJXTLSA-N 0 0 316.445 3.108 20 10 DGCDRN CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000271091340 432328889 /nfs/dbraw/zinc/32/88/89/432328889.db2.gz WQFQHIFVBQURSX-GOSISDBHSA-N 0 0 324.424 3.160 20 10 DGCDRN CCSCC[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000174269817 432332866 /nfs/dbraw/zinc/33/28/66/432332866.db2.gz RTALZVANACACLI-ZDUSSCGKSA-N 0 0 309.479 3.084 20 10 DGCDRN CC(=O)c1cc(F)cc(C[N@@H+](C)C[C@H](C)c2nccs2)c1O ZINC000184001426 432344328 /nfs/dbraw/zinc/34/43/28/432344328.db2.gz QHHAIGHLRCBVDC-JTQLQIEISA-N 0 0 322.405 3.426 20 10 DGCDRN Cc1cc(C(=O)N[C@H]2CCO[C@H](C)C2)c(C)n1-c1ccccc1 ZINC000271397668 432387613 /nfs/dbraw/zinc/38/76/13/432387613.db2.gz JPQVWKNJWKVOIM-ZBFHGGJFSA-N 0 0 312.413 3.391 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2CCO[C@H](C)C2)c(C)n1-c1ccccc1 ZINC000271397658 432387801 /nfs/dbraw/zinc/38/78/01/432387801.db2.gz JPQVWKNJWKVOIM-GDBMZVCRSA-N 0 0 312.413 3.391 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C[C@H]1n1ccnc1 ZINC000271228099 432357586 /nfs/dbraw/zinc/35/75/86/432357586.db2.gz BFMFKLMMCFFXLN-IUODEOHRSA-N 0 0 305.809 3.325 20 10 DGCDRN C/C=C/C=C/C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000153953255 432459110 /nfs/dbraw/zinc/45/91/10/432459110.db2.gz WDIWVKZKRJRULW-APFFIMBESA-N 0 0 301.386 3.032 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000175507451 432442807 /nfs/dbraw/zinc/44/28/07/432442807.db2.gz APTAPWISFQDQSR-XLIONFOSSA-N 0 0 307.393 3.255 20 10 DGCDRN CCc1nn(C)cc1NCc1cc(Br)cc(C)c1O ZINC000271875020 432425961 /nfs/dbraw/zinc/42/59/61/432425961.db2.gz ZCMLOOXRZNBHDE-UHFFFAOYSA-N 0 0 324.222 3.371 20 10 DGCDRN COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc(OC)c(Cl)c2)c1 ZINC000271855469 432426461 /nfs/dbraw/zinc/42/64/61/432426461.db2.gz SJDTUQMXIQMVOO-SNVBAGLBSA-N 0 0 322.792 3.309 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000192899843 432426911 /nfs/dbraw/zinc/42/69/11/432426911.db2.gz VMWGWGPRVFLLSC-UHFFFAOYSA-N 0 0 313.328 3.166 20 10 DGCDRN COc1cc(O)c(CNc2ccc(Cl)nc2C)cc1OC ZINC000193479703 432475719 /nfs/dbraw/zinc/47/57/19/432475719.db2.gz DWARRIAMYCIWCK-UHFFFAOYSA-N 0 0 308.765 3.378 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)[C@H](O)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000185468370 432504354 /nfs/dbraw/zinc/50/43/54/432504354.db2.gz KZDQPTDBDSDKBH-RLFDGXBXSA-N 0 0 307.340 3.443 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NC[C@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000155585827 432562546 /nfs/dbraw/zinc/56/25/46/432562546.db2.gz WRRHTINZKVBPJV-LNLFQRSKSA-N 0 0 322.408 3.120 20 10 DGCDRN Cc1ccc(C(=O)N2C[C@H]3CCC(=O)c4cccc2c43)c(O)c1O ZINC000185824650 432536485 /nfs/dbraw/zinc/53/64/85/432536485.db2.gz GEVDIUNUQKQSPJ-LLVKDONJSA-N 0 0 323.348 3.127 20 10 DGCDRN CC(C)[C@]1(C)C[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000186200372 432567815 /nfs/dbraw/zinc/56/78/15/432567815.db2.gz ZRNUNENGKJJBTP-KDOFPFPSSA-N 0 0 302.418 3.160 20 10 DGCDRN CC(C)C[C@H]1OCCC[C@@H]1NC(=O)N(C)Cc1ccccc1O ZINC000186215839 432569519 /nfs/dbraw/zinc/56/95/19/432569519.db2.gz MPYSSXTYQZQBIS-DOTOQJQBSA-N 0 0 320.433 3.127 20 10 DGCDRN CC(C)N(CC1CCC1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000194785281 432576767 /nfs/dbraw/zinc/57/67/67/432576767.db2.gz IRBOVGOFOBBQQZ-UHFFFAOYSA-N 0 0 303.450 3.473 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc(C)c1F ZINC000186438615 432595976 /nfs/dbraw/zinc/59/59/76/432595976.db2.gz UUGAUSKFZSANKN-LBPRGKRZSA-N 0 0 317.360 3.215 20 10 DGCDRN Cc1ccc([C@@H](C)Nc2cccc(OCC(N)=O)c2)c(O)c1C ZINC000273475290 432603006 /nfs/dbraw/zinc/60/30/06/432603006.db2.gz KMUGMZVUVPMXSZ-CYBMUJFWSA-N 0 0 314.385 3.046 20 10 DGCDRN CCc1nc(C)c([C@H](C)N(C)C(=O)c2cccc(O)c2O)s1 ZINC000187122941 432645969 /nfs/dbraw/zinc/64/59/69/432645969.db2.gz JOESJNWBEBGEKE-JTQLQIEISA-N 0 0 320.414 3.258 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CC[C@H]1CCCCO1 ZINC000264636385 432662584 /nfs/dbraw/zinc/66/25/84/432662584.db2.gz CLUGFMCCSJDDBM-GOSISDBHSA-N 0 0 318.461 3.450 20 10 DGCDRN COc1cc(Cl)cc(CNc2ccc(N(C)C)nc2)c1O ZINC000228668467 432719294 /nfs/dbraw/zinc/71/92/94/432719294.db2.gz PURDQEMDTMFHRF-UHFFFAOYSA-N 0 0 307.781 3.127 20 10 DGCDRN COc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])c1 ZINC000187714382 432680081 /nfs/dbraw/zinc/68/00/81/432680081.db2.gz HPKSQDURIGXTTG-BMIGLBTASA-N 0 0 323.339 3.063 20 10 DGCDRN CCOC1CC(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000276569335 432819649 /nfs/dbraw/zinc/81/96/49/432819649.db2.gz HBPUQZCCTRDJQH-DCBWTQNWSA-N 0 0 308.378 3.156 20 10 DGCDRN C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1c(F)ccc(O)c1O ZINC000276636175 432822886 /nfs/dbraw/zinc/82/28/86/432822886.db2.gz WZQMPKNMNKRXNC-YPMHNXCESA-N 0 0 315.344 3.255 20 10 DGCDRN O=C([O-])c1coc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)c1 ZINC000277007784 432827892 /nfs/dbraw/zinc/82/78/92/432827892.db2.gz MJIMGJIEIVWLLL-UHFFFAOYSA-N 0 0 314.385 3.258 20 10 DGCDRN C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1[O-] ZINC000276928840 432828002 /nfs/dbraw/zinc/82/80/02/432828002.db2.gz NURWIFYTHCLBSE-JTQLQIEISA-N 0 0 322.311 3.472 20 10 DGCDRN CN(C)c1ccc(C[NH2+][C@H](CC(=O)[O-])c2ccsc2)cc1 ZINC000276978924 432828119 /nfs/dbraw/zinc/82/81/19/432828119.db2.gz HZSLHGYWKZOYQG-OAHLLOKOSA-N 0 0 304.415 3.120 20 10 DGCDRN COc1ccc2c(c1)CCCCN2C[C@@H](O)CC(F)(F)F ZINC000276218248 432784265 /nfs/dbraw/zinc/78/42/65/432784265.db2.gz LUYZZSLPUGIVDX-LBPRGKRZSA-N 0 0 303.324 3.151 20 10 DGCDRN COC(=O)[C@H](NCc1cc(-c2ccccc2)ccc1O)C1CC1 ZINC000276492601 432812361 /nfs/dbraw/zinc/81/23/61/432812361.db2.gz QKBGSALQCBUMIY-GOSISDBHSA-N 0 0 311.381 3.100 20 10 DGCDRN O=C(NCc1cccc(Br)c1O)C1CCCCC1 ZINC000277585503 432862160 /nfs/dbraw/zinc/86/21/60/432862160.db2.gz RVZVRZYSGACAGZ-UHFFFAOYSA-N 0 0 312.207 3.351 20 10 DGCDRN CCCNc1ccc(CNC(=O)NCc2ccccc2O)cc1 ZINC000277684431 432870019 /nfs/dbraw/zinc/87/00/19/432870019.db2.gz FYCBUMHWONEYTO-UHFFFAOYSA-N 0 0 313.401 3.214 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CCC[C@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000278240744 432889544 /nfs/dbraw/zinc/88/95/44/432889544.db2.gz NUADWDQMXDEXNV-DGCLKSJQSA-N 0 0 306.362 3.074 20 10 DGCDRN C[C@@H]([NH2+]CCc1cnn(C)c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278220479 432889902 /nfs/dbraw/zinc/88/99/02/432889902.db2.gz IWWANVVHRCHFGT-SECBINFHSA-N 0 0 314.216 3.326 20 10 DGCDRN COc1c([O-])c(C[N@H+]([C@@H](C)C2CC2)C2CC2)ccc1[N+](=O)[O-] ZINC000278284122 432890478 /nfs/dbraw/zinc/89/04/78/432890478.db2.gz UAQZPNJTXPADLX-JTQLQIEISA-N 0 0 306.362 3.072 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1ccc(F)c(F)c1[O-] ZINC000278479054 432895225 /nfs/dbraw/zinc/89/52/25/432895225.db2.gz OOZFMGWXYZYGDI-AAEUAGOBSA-N 0 0 310.388 3.338 20 10 DGCDRN C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cccc(O)c1O ZINC000279255627 432950506 /nfs/dbraw/zinc/95/05/06/432950506.db2.gz IRDIDQALHSYHTN-UKRRQHHQSA-N 0 0 311.381 3.191 20 10 DGCDRN C[C@@H](N[C@@H](C)c1ncn(C)n1)c1cc(Cl)c(Cl)cc1O ZINC000278793774 432901536 /nfs/dbraw/zinc/90/15/36/432901536.db2.gz QNPZHNXNXJXAGZ-SFYZADRCSA-N 0 0 315.204 3.239 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1[O-] ZINC000296402549 432904804 /nfs/dbraw/zinc/90/48/04/432904804.db2.gz UUSDDFDLEDMGQK-APHBMKBZSA-N 0 0 323.820 3.151 20 10 DGCDRN CCc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])s1 ZINC000278900862 432914928 /nfs/dbraw/zinc/91/49/28/432914928.db2.gz QZTISZQMYQTSOR-UHFFFAOYSA-N 0 0 322.386 3.223 20 10 DGCDRN CN(Cc1cnns1)Cc1ccc(N2CCCCC2)cc1 ZINC000296523306 432918447 /nfs/dbraw/zinc/91/84/47/432918447.db2.gz MVECXUUAMDQYSW-UHFFFAOYSA-N 0 0 302.447 3.160 20 10 DGCDRN COc1cc(Cl)cc(CN2CCC[C@H]2c2nc(C)no2)c1O ZINC000289818749 432974228 /nfs/dbraw/zinc/97/42/28/432974228.db2.gz NZYAHKSWIHXMBO-LBPRGKRZSA-N 0 0 323.780 3.083 20 10 DGCDRN CCCCN(Cc1cn(C(C)C)nn1)Cc1ccccc1O ZINC000289840408 432977408 /nfs/dbraw/zinc/97/74/08/432977408.db2.gz UUFGRNGCOJXIFQ-UHFFFAOYSA-N 0 0 302.422 3.367 20 10 DGCDRN COc1cccc(CNC(=O)Nc2ncsc2C(C)C)c1O ZINC000290020593 432982804 /nfs/dbraw/zinc/98/28/04/432982804.db2.gz VWUZOUKPBZRJDO-UHFFFAOYSA-N 0 0 321.402 3.302 20 10 DGCDRN CC[C@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1ccc(F)cc1[O-] ZINC000297267833 432983581 /nfs/dbraw/zinc/98/35/81/432983581.db2.gz KLXZQGYEZWSZHA-WBVHZDCISA-N 0 0 321.367 3.315 20 10 DGCDRN CC[C@@H]([NH2+][C@H]1COC[C@@H]1OC)c1cc(Cl)cc(Cl)c1[O-] ZINC000290145201 432999701 /nfs/dbraw/zinc/99/97/01/432999701.db2.gz KXYQHRPYXWXZCJ-AGIUHOORSA-N 0 0 320.216 3.154 20 10 DGCDRN Oc1cccc2c1[C@H]([NH2+]CC1([C@@H](O)c3ccccc3)CC1)CC2 ZINC000297047264 432952376 /nfs/dbraw/zinc/95/23/76/432952376.db2.gz VLCRVGJOFBQBAZ-APWZRJJASA-N 0 0 309.409 3.483 20 10 DGCDRN CC[C@H]([NH2+][C@H]1COc2ccccc2[C@H]1O)c1ccc(F)cc1[O-] ZINC000290243984 433019981 /nfs/dbraw/zinc/01/99/81/433019981.db2.gz JIZUDAIZFAKBNX-RLFYNMQTSA-N 0 0 317.360 3.067 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCC(c2ccsc2)CC1 ZINC000280410294 433046479 /nfs/dbraw/zinc/04/64/79/433046479.db2.gz HXARTVBWZXIESN-UHFFFAOYSA-N 0 0 303.383 3.179 20 10 DGCDRN COc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2C[C@@H](C)O)c1O ZINC000280487450 433059449 /nfs/dbraw/zinc/05/94/49/433059449.db2.gz ONCJRFICLFRQMY-RISCZKNCSA-N 0 0 313.825 3.180 20 10 DGCDRN CCCOc1ccc(CNc2ccc(C(N)=O)c(C)c2)c(O)c1 ZINC000280611290 433108492 /nfs/dbraw/zinc/10/84/92/433108492.db2.gz DOGBDMDIMYKTNE-UHFFFAOYSA-N 0 0 314.385 3.200 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000373875824 433164784 /nfs/dbraw/zinc/16/47/84/433164784.db2.gz HTDVFBIFSBXYBE-ORPAJBSMSA-N 0 0 309.365 3.173 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000373824237 433165680 /nfs/dbraw/zinc/16/56/80/433165680.db2.gz JIZYJVSKJMFLMV-LBPRGKRZSA-N 0 0 313.800 3.433 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)NOC/C=C/Cl)C2CC2)cc1 ZINC000291035413 433214348 /nfs/dbraw/zinc/21/43/48/433214348.db2.gz HLKISBUXTYNYFV-XCVCLJGOSA-N 0 0 323.824 3.111 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@@H](CC)OC ZINC000291464329 433240705 /nfs/dbraw/zinc/24/07/05/433240705.db2.gz MIABBAOEPVEZHJ-OAHLLOKOSA-N 0 0 308.422 3.129 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1nccn1CC ZINC000291598153 433283076 /nfs/dbraw/zinc/28/30/76/433283076.db2.gz GUSKFLABAYESDD-UHFFFAOYSA-N 0 0 301.390 3.051 20 10 DGCDRN CO[C@](C)(C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1CC1 ZINC000291646341 433296710 /nfs/dbraw/zinc/29/67/10/433296710.db2.gz FBCKMYDHVYXUFB-IBGZPJMESA-N 0 0 316.445 3.059 20 10 DGCDRN CN(C)c1ccc(CN(c2nnc(C(F)F)o2)C2CC2)cc1 ZINC000292463278 433568028 /nfs/dbraw/zinc/56/80/28/433568028.db2.gz KBVWNXWGYQUXIJ-UHFFFAOYSA-N 0 0 308.332 3.242 20 10 DGCDRN C[C@H](Nc1ncc(Cl)cn1)c1ccc(N2CCOCC2)cc1 ZINC000301493902 433577617 /nfs/dbraw/zinc/57/76/17/433577617.db2.gz RGUJYEUAXMKMBL-LBPRGKRZSA-N 0 0 318.808 3.140 20 10 DGCDRN COc1c([O-])c(C[NH+](C2CCC2)C2CCC2)ccc1[N+](=O)[O-] ZINC000292702869 433588878 /nfs/dbraw/zinc/58/88/78/433588878.db2.gz CNIUGCZTCVGXOO-UHFFFAOYSA-N 0 0 306.362 3.216 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)Cc1ccccc1O ZINC000282399678 433594525 /nfs/dbraw/zinc/59/45/25/433594525.db2.gz FGRWVTZRWRRHHL-UHFFFAOYSA-N 0 0 313.397 3.469 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nc(C)oc1C ZINC000293152043 433633396 /nfs/dbraw/zinc/63/33/96/433633396.db2.gz BUSALOOTBADNJS-UHFFFAOYSA-N 0 0 301.390 3.020 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ncoc2C2CC2)cc1 ZINC000293157964 433637337 /nfs/dbraw/zinc/63/73/37/433637337.db2.gz RHFMLDNFCIKZMH-UHFFFAOYSA-N 0 0 313.401 3.328 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1nc(C2CCC2)cs1 ZINC000282900593 433639127 /nfs/dbraw/zinc/63/91/27/433639127.db2.gz CACMQTOXJREOBA-UHFFFAOYSA-N 0 0 303.387 3.438 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)COCC(F)(F)F ZINC000282459811 433608670 /nfs/dbraw/zinc/60/86/70/433608670.db2.gz JSTQNVVAMNAOAN-UHFFFAOYSA-N 0 0 319.323 3.100 20 10 DGCDRN CCCC[N@H+](Cc1ccccc1O)[C@@H]1CCN(C(C)C)C1=O ZINC000282476243 433614433 /nfs/dbraw/zinc/61/44/33/433614433.db2.gz OIAXVYGWUYQABP-MRXNPFEDSA-N 0 0 304.434 3.004 20 10 DGCDRN C[C@H]1CCN(C(=O)/C=C/c2cncs2)c2c(O)cccc21 ZINC000282480235 433614908 /nfs/dbraw/zinc/61/49/08/433614908.db2.gz WUGONQKMYOEDRX-QRGHLMKCSA-N 0 0 300.383 3.402 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccoc1C1CC1 ZINC000282587133 433618246 /nfs/dbraw/zinc/61/82/46/433618246.db2.gz LLZSDVZEWQDHFW-UHFFFAOYSA-N 0 0 312.369 3.262 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCSC1 ZINC000283476062 433731411 /nfs/dbraw/zinc/73/14/11/433731411.db2.gz WSVWVBCKYHTZSQ-CQSZACIVSA-N 0 0 322.474 3.457 20 10 DGCDRN Cc1nc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c(C)o1 ZINC000293492801 433758036 /nfs/dbraw/zinc/75/80/36/433758036.db2.gz YGZSSQQUKPXIKF-UHFFFAOYSA-N 0 0 315.417 3.408 20 10 DGCDRN CCc1nc(C(C)C)ccc1C(=O)NCc1ccc(O)c(O)c1 ZINC000293584974 433792545 /nfs/dbraw/zinc/79/25/45/433792545.db2.gz CQBLBNVJBXXRNB-UHFFFAOYSA-N 0 0 314.385 3.109 20 10 DGCDRN COc1cc(N(C)Cc2ccccc2O)c(F)cc1[N+](=O)[O-] ZINC000302675875 433830132 /nfs/dbraw/zinc/83/01/32/433830132.db2.gz UKJYIHXKAQKSHV-UHFFFAOYSA-N 0 0 306.293 3.085 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)[C@H](C)C(C)C)CC2)cc1 ZINC000363529866 434079499 /nfs/dbraw/zinc/07/94/99/434079499.db2.gz KIDUJCXDLKSJGE-OAHLLOKOSA-N 0 0 304.434 3.026 20 10 DGCDRN C[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@H]1n1ccnc1 ZINC000294434617 434111932 /nfs/dbraw/zinc/11/19/32/434111932.db2.gz XNEGPKNLIXEQKY-XHDPSFHLSA-N 0 0 323.799 3.464 20 10 DGCDRN CCn1cc([C@H](C)[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cn1 ZINC000294871933 434149921 /nfs/dbraw/zinc/14/99/21/434149921.db2.gz PFKZTPLDORVAFV-VIFPVBQESA-N 0 0 324.768 3.021 20 10 DGCDRN COc1ccc(N(C[C@@H]2CCNC(=O)CC2)[C@@H](C)C2CC2)cc1 ZINC000295019505 434158240 /nfs/dbraw/zinc/15/82/40/434158240.db2.gz UPZDQRRTIMTWAU-GJZGRUSLSA-N 0 0 316.445 3.216 20 10 DGCDRN CC[C@@H]([NH2+]CCc1nccnc1C)c1cccc(Cl)c1[O-] ZINC000294980964 434158506 /nfs/dbraw/zinc/15/85/06/434158506.db2.gz KPGIBTRVWNFVJJ-CQSZACIVSA-N 0 0 305.809 3.427 20 10 DGCDRN CCCc1cc(C(=O)N(CCC)Cc2ccccc2O)no1 ZINC000295287396 434293737 /nfs/dbraw/zinc/29/37/37/434293737.db2.gz PVTCOJCROHLHLR-UHFFFAOYSA-N 0 0 302.374 3.385 20 10 DGCDRN COC(=O)c1cnc(SCc2ncc(C)c(OC)c2C)s1 ZINC000295391934 434342119 /nfs/dbraw/zinc/34/21/19/434342119.db2.gz VFNVBEOEJLSNNT-UHFFFAOYSA-N 0 0 324.427 3.242 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)CCCCO)c(C)n1-c1ccccc1 ZINC000295419518 434350690 /nfs/dbraw/zinc/35/06/90/434350690.db2.gz IQKQZWMJMTYRHR-AWEZNQCLSA-N 0 0 314.429 3.375 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNc1cc(C)nc(C2CC2)n1 ZINC000359836725 434443049 /nfs/dbraw/zinc/44/30/49/434443049.db2.gz BIWKUDUTHADLHK-UHFFFAOYSA-N 0 0 306.413 4.075 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000295714636 434432720 /nfs/dbraw/zinc/43/27/20/434432720.db2.gz KKJXBRUUJZBCBG-RMRHIDDWSA-N 0 0 305.418 3.217 20 10 DGCDRN Oc1cccc2c1[C@H]([NH2+]Cc1ccc(N3CCCC3)nc1)CC2 ZINC000296147117 434523070 /nfs/dbraw/zinc/52/30/70/434523070.db2.gz WOOLTXPRJMZWNM-MRXNPFEDSA-N 0 0 309.413 3.165 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1ccc(F)cc1[O-] ZINC000367554378 434550940 /nfs/dbraw/zinc/55/09/40/434550940.db2.gz SFFAQBSMZAUJMB-RYQLBKOJSA-N 0 0 301.361 3.230 20 10 DGCDRN CO[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2scnc2C)C1 ZINC000369106604 434588820 /nfs/dbraw/zinc/58/88/20/434588820.db2.gz JZGSLEQGAXRZLU-HSBSLETESA-N 0 0 314.410 3.069 20 10 DGCDRN Nc1ccc(CC(=O)N2CCSC[C@H]2c2ccccc2)cc1 ZINC000237884556 295352311 /nfs/dbraw/zinc/35/23/11/295352311.db2.gz XADOBMBLJPDCRR-KRWDZBQOSA-N 0 0 312.438 3.128 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC12CCC(CC1)C2 ZINC000369919559 434603602 /nfs/dbraw/zinc/60/36/02/434603602.db2.gz LXSBDHCBILWIRO-UHFFFAOYSA-N 0 0 313.445 3.419 20 10 DGCDRN Cc1nc([C@@H]2CCCCN2Cc2ccc(N(C)C)cc2)no1 ZINC000371404285 434692035 /nfs/dbraw/zinc/69/20/35/434692035.db2.gz KUTNQRVXAPMFNX-INIZCTEOSA-N 0 0 300.406 3.171 20 10 DGCDRN CC(C)(C)c1ncc(/C=C\C(=O)N2CCCn3nccc32)s1 ZINC000491906612 434879504 /nfs/dbraw/zinc/87/95/04/434879504.db2.gz RANBBDGVFOFODQ-WAYWQWQTSA-N 0 0 316.430 3.087 20 10 DGCDRN Cc1cncc(/C=C/C(=O)N2C[C@H]3CCCN3c3ccccc32)c1 ZINC000492204287 434935045 /nfs/dbraw/zinc/93/50/45/434935045.db2.gz YJBIXYMNHBKZBM-KBOKABMXSA-N 0 0 319.408 3.419 20 10 DGCDRN Cc1ccncc1N(C)C(=O)/C=C/c1cnc2ccccc2n1 ZINC000492612563 435020870 /nfs/dbraw/zinc/02/08/70/435020870.db2.gz BCLQKBFAXOXEJG-BQYQJAHWSA-N 0 0 304.353 3.009 20 10 DGCDRN O=C(C=Cc1cccnc1)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000492622081 435024813 /nfs/dbraw/zinc/02/48/13/435024813.db2.gz WOQURMJHOSFACK-DEBLGDTFSA-N 0 0 304.349 3.202 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ncsc2C)c1 ZINC000529147653 435032864 /nfs/dbraw/zinc/03/28/64/435032864.db2.gz WOFXKZMWWQNQLR-QMMMGPOBSA-N 0 0 307.375 3.048 20 10 DGCDRN O=C(/C=C/c1cncs1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000493020605 435092472 /nfs/dbraw/zinc/09/24/72/435092472.db2.gz SJXNHZRWDHAITQ-VOTSOKGWSA-N 0 0 315.354 3.044 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[C@H]1C1CCCC1 ZINC000649788739 435704479 /nfs/dbraw/zinc/70/44/79/435704479.db2.gz DWWCSNMSDYMBPV-HOTGVXAUSA-N 0 0 314.429 3.304 20 10 DGCDRN CCn1nncc1COc1ccc2c(c1)c1c(n2C)CCCC1 ZINC000647164343 435958063 /nfs/dbraw/zinc/95/80/63/435958063.db2.gz QPCJNYHLYLIUQR-UHFFFAOYSA-N 0 0 310.401 3.248 20 10 DGCDRN COC[C@@H](COc1ccc2c(c1)c1c(n2C)CCCC1)OC ZINC000664104025 436558728 /nfs/dbraw/zinc/55/87/28/436558728.db2.gz CMIUKYKDABLUNV-AWEZNQCLSA-N 0 0 303.402 3.097 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H](CCO)c1ccccc1 ZINC000293527374 335111626 /nfs/dbraw/zinc/11/16/26/335111626.db2.gz DQPOVDCLJZWWDS-OAHLLOKOSA-N 0 0 309.768 3.398 20 10 DGCDRN CC[C@H](CSC)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000181000619 333166887 /nfs/dbraw/zinc/16/68/87/333166887.db2.gz INUHCYFVUNOKHL-OAHLLOKOSA-N 0 0 319.474 3.004 20 10 DGCDRN C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccc(F)c(F)c1[O-] ZINC000187733885 333236844 /nfs/dbraw/zinc/23/68/44/333236844.db2.gz XLQPATHLVOZNRW-SECBINFHSA-N 0 0 301.333 3.053 20 10 DGCDRN CC(C)C[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187742359 333237251 /nfs/dbraw/zinc/23/72/51/333237251.db2.gz RJDVTBMTVBUYDT-NWDGAFQWSA-N 0 0 301.377 3.366 20 10 DGCDRN CCN(C[C@@H](C)OC)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000291473358 334179128 /nfs/dbraw/zinc/17/91/28/334179128.db2.gz KSOKBGAFXUWWOO-OAHLLOKOSA-N 0 0 321.465 3.099 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cc(C2CC2)no1 ZINC000514615747 336386497 /nfs/dbraw/zinc/38/64/97/336386497.db2.gz AHYKBSHGJKFBKQ-UHFFFAOYSA-N 0 0 309.369 3.282 20 10 DGCDRN CSc1cccc(N(C)C(=O)/C=C/c2cnn(C)c2C)c1 ZINC000162333167 337614852 /nfs/dbraw/zinc/61/48/52/337614852.db2.gz AWVWAYWLTDOTFT-CMDGGOBGSA-N 0 0 301.415 3.127 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1c[nH]nc1C(C)(C)C ZINC000509749043 340278321 /nfs/dbraw/zinc/27/83/21/340278321.db2.gz DBEVEAFVHNEVTM-UHFFFAOYSA-N 0 0 324.428 3.437 20 10 DGCDRN CCc1ccsc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173208273 340360388 /nfs/dbraw/zinc/36/03/88/340360388.db2.gz KRZYDJJAWHAGHD-UHFFFAOYSA-N 0 0 316.426 3.416 20 10 DGCDRN CN(C(=O)/C=C/c1cnn(-c2ccccc2)c1)c1ncccc1F ZINC000130846034 341048811 /nfs/dbraw/zinc/04/88/11/341048811.db2.gz YUEYNSVNBPXIPE-MDZDMXLPSA-N 0 0 322.343 3.083 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCc1cccnc1 ZINC000548101229 341247273 /nfs/dbraw/zinc/24/72/73/341247273.db2.gz ZNVJQIFGQXBCEH-UHFFFAOYSA-N 0 0 307.397 3.131 20 10 DGCDRN COc1cc(Cl)cc(CN2CCO[C@@H](c3ccco3)C2)c1O ZINC000184701280 533953311 /nfs/dbraw/zinc/95/33/11/533953311.db2.gz VQAXAQSHMNTXOX-OAHLLOKOSA-N 0 0 323.776 3.221 20 10 DGCDRN COc1ccc(N(C)Cc2c[nH]nc2-c2cccnc2)cc1F ZINC000180773999 533982720 /nfs/dbraw/zinc/98/27/20/533982720.db2.gz FBDHOJLUXOHQKT-UHFFFAOYSA-N 0 0 312.348 3.256 20 10 DGCDRN COc1ccc(N2CCC(Nc3nc(C)cc(C)n3)CC2)cc1 ZINC000301195818 534001145 /nfs/dbraw/zinc/00/11/45/534001145.db2.gz UIBXFFYKMITCJE-UHFFFAOYSA-N 0 0 312.417 3.183 20 10 DGCDRN CC(C)(C)c1cnc(SCC(=O)NCc2cccnc2)s1 ZINC000164346031 519076315 /nfs/dbraw/zinc/07/63/15/519076315.db2.gz BUELECBGRDNYEY-UHFFFAOYSA-N 0 0 321.471 3.244 20 10 DGCDRN CC(C)[C@H](C)N(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000265968116 519811653 /nfs/dbraw/zinc/81/16/53/519811653.db2.gz SXBCLRTUYRYVHE-HNNXBMFYSA-N 0 0 301.434 3.249 20 10 DGCDRN CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)Cc1ccc(N)cc1 ZINC000236700405 519816682 /nfs/dbraw/zinc/81/66/82/519816682.db2.gz IRQFQKBZPBYHPG-SFHVURJKSA-N 0 0 314.404 3.334 20 10 DGCDRN CC(C)c1noc([C@@H](C)N2CCOc3cc(N(C)C)ccc32)n1 ZINC000130448349 519907688 /nfs/dbraw/zinc/90/76/88/519907688.db2.gz WSDDREDCXKNGEP-GFCCVEGCSA-N 0 0 316.405 3.219 20 10 DGCDRN CCC[C@@H]1C[C@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000182904106 520872788 /nfs/dbraw/zinc/87/27/88/520872788.db2.gz NAHBLUDYVDRUDE-SJLPKXTDSA-N 0 0 318.461 3.306 20 10 DGCDRN CCC[C@H](C)N(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000265978012 521027620 /nfs/dbraw/zinc/02/76/20/521027620.db2.gz WGQDMBPBTCUCMR-HNNXBMFYSA-N 0 0 301.434 3.393 20 10 DGCDRN CC(C)(C)C1=CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000272360817 534536606 /nfs/dbraw/zinc/53/66/06/534536606.db2.gz BLSNUSLCPVZDMB-FNORWQNLSA-N 0 0 301.386 3.316 20 10 DGCDRN CCOC(=O)[C@@H](NCc1ccccc1O)c1cccc(C)c1C ZINC000189664202 521083327 /nfs/dbraw/zinc/08/33/27/521083327.db2.gz ZCLSOMVMZOTUJC-SFHVURJKSA-N 0 0 313.397 3.403 20 10 DGCDRN CCC[C@H]1C[C@H](C(=O)NCc2ccc(N(C)C)c(F)c2)CCO1 ZINC000183569748 521243461 /nfs/dbraw/zinc/24/34/61/521243461.db2.gz WHVXZFUHZJQHTL-CABCVRRESA-N 0 0 322.424 3.103 20 10 DGCDRN CCOc1ccccc1[C@@H](CC)NC(=O)Cc1ccc(N)cc1 ZINC000236988768 521574935 /nfs/dbraw/zinc/57/49/35/521574935.db2.gz NLWGMQGXUPSHIM-QGZVFWFLSA-N 0 0 312.413 3.478 20 10 DGCDRN CCCn1c(C)nnc1CN(C)c1ccc(OC(C)C)cc1 ZINC000191586994 521621887 /nfs/dbraw/zinc/62/18/87/521621887.db2.gz FUDRKFAWDXWBQW-UHFFFAOYSA-N 0 0 302.422 3.420 20 10 DGCDRN CCC(CC)n1ccc(C(=O)NCc2ccc(N(C)C)cc2)n1 ZINC000269258197 521637915 /nfs/dbraw/zinc/63/79/15/521637915.db2.gz FKQBUEHRFWAWJQ-UHFFFAOYSA-N 0 0 314.433 3.240 20 10 DGCDRN CCOCCC1(C(=O)NCc2cccc(OC)c2O)CCCC1 ZINC000155680837 521680472 /nfs/dbraw/zinc/68/04/72/521680472.db2.gz HIVXRBDKCCWPNB-UHFFFAOYSA-N 0 0 321.417 3.004 20 10 DGCDRN Cc1cnc(NCc2ccc(N3CC=CC3)cc2)c([N+](=O)[O-])c1 ZINC000301445797 534586638 /nfs/dbraw/zinc/58/66/38/534586638.db2.gz OAZRUKJCAZSSTR-UHFFFAOYSA-N 0 0 310.357 3.287 20 10 DGCDRN CCSCC[C@@H](C)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180834010 521710294 /nfs/dbraw/zinc/71/02/94/521710294.db2.gz UXCVMRNBWXAHNZ-WAFBPQNNSA-N 0 0 309.431 3.101 20 10 DGCDRN CCS[C@H]1CCC[C@@H](NC(=O)NCc2ccccc2O)C1 ZINC000267356730 521731055 /nfs/dbraw/zinc/73/10/55/521731055.db2.gz RYJZPGCJKVTTPZ-KGLIPLIRSA-N 0 0 308.447 3.256 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCCSC(C)(C)C)cc1 ZINC000263836671 522198206 /nfs/dbraw/zinc/19/82/06/522198206.db2.gz CXKGQXHZHBRDEF-UHFFFAOYSA-N 0 0 309.479 3.084 20 10 DGCDRN CC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1nc(C)cs1 ZINC000180757255 522352374 /nfs/dbraw/zinc/35/23/74/522352374.db2.gz PHEUJMXYDBZGQO-PZBABLGHSA-N 0 0 318.398 3.143 20 10 DGCDRN COC[C@@H]1CCN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000266008144 522473183 /nfs/dbraw/zinc/47/31/83/522473183.db2.gz OOSQLIYCHJNPSF-CQSZACIVSA-N 0 0 318.442 3.264 20 10 DGCDRN CC[C@@H](CSC)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000181446390 522606550 /nfs/dbraw/zinc/60/65/50/522606550.db2.gz ZFFPAXTZPMARCQ-AWEZNQCLSA-N 0 0 309.479 3.036 20 10 DGCDRN CN(CC1(c2ccccc2)CC1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000186766436 522608552 /nfs/dbraw/zinc/60/85/52/522608552.db2.gz VAPAESFKWJXHCL-CSKARUKUSA-N 0 0 323.392 3.301 20 10 DGCDRN COc1cc(N(C)CCc2csc(C)n2)cc(OC)c1OC ZINC000124382080 522619208 /nfs/dbraw/zinc/61/92/08/522619208.db2.gz OGAHFJJNEGSMFA-UHFFFAOYSA-N 0 0 322.430 3.156 20 10 DGCDRN CC[C@@H](c1ccncc1)N(C)C(=O)c1ccc(C)c(O)c1O ZINC000182483366 523118464 /nfs/dbraw/zinc/11/84/64/523118464.db2.gz VVYUTPAABSZDLD-AWEZNQCLSA-N 0 0 300.358 3.025 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCCC1Cc2ccccc2C1 ZINC000127275722 523382730 /nfs/dbraw/zinc/38/27/30/523382730.db2.gz JFLVIQGDYLKWHC-UHFFFAOYSA-N 0 0 324.424 3.339 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CCCc2c(O)cccc21 ZINC000190639846 523385156 /nfs/dbraw/zinc/38/51/56/523385156.db2.gz DGTVTRUYIYMHMS-INIZCTEOSA-N 0 0 311.381 3.176 20 10 DGCDRN CO[C@H](C)c1noc(CN(C)c2ccc(OC(C)C)cc2)n1 ZINC000191589612 523919156 /nfs/dbraw/zinc/91/91/56/523919156.db2.gz XFXCMADISRJRID-GFCCVEGCSA-N 0 0 305.378 3.201 20 10 DGCDRN COc1ccc(C[NH2+]C[C@](C)(O)c2cc(C)oc2C)cc1C ZINC000266155273 524072451 /nfs/dbraw/zinc/07/24/51/524072451.db2.gz LPTRQUXVTQYEID-SFHVURJKSA-N 0 0 303.402 3.211 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)[C@@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000266150073 524142510 /nfs/dbraw/zinc/14/25/10/524142510.db2.gz IVTBUDVQCAJTHV-GDBMZVCRSA-N 0 0 312.413 3.249 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H](c2ccccc2)C1 ZINC000180722307 534775328 /nfs/dbraw/zinc/77/53/28/534775328.db2.gz IEFPCAXRDKFKFM-DYLHUKMJSA-N 0 0 309.365 3.127 20 10 DGCDRN COc1ccc(N2CCN(C(=O)CCC3CCC3)CC2)cc1F ZINC000177275827 524408527 /nfs/dbraw/zinc/40/85/27/524408527.db2.gz ABJALCFCCWQCNT-UHFFFAOYSA-N 0 0 320.408 3.063 20 10 DGCDRN COc1ccc(N2CCN(C(=O)[C@H](C)C(C)(C)C)CC2)cc1 ZINC000265192312 524417138 /nfs/dbraw/zinc/41/71/38/524417138.db2.gz AYSWWUYVEXEOHN-AWEZNQCLSA-N 0 0 304.434 3.026 20 10 DGCDRN COc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])cc1 ZINC000191194159 525207062 /nfs/dbraw/zinc/20/70/62/525207062.db2.gz AHRQGJOESOYABK-BMIGLBTASA-N 0 0 323.339 3.063 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccc(F)c(F)c1[O-] ZINC000191212836 525478007 /nfs/dbraw/zinc/47/80/07/525478007.db2.gz FNOLIBIMLKDDMQ-YMTOWFKASA-N 0 0 311.303 3.194 20 10 DGCDRN Cc1cn2nc(NCc3ccc(N4CC=CC4)cc3)sc2n1 ZINC000265829613 525955602 /nfs/dbraw/zinc/95/56/02/525955602.db2.gz KJUCWDRFUPRANH-UHFFFAOYSA-N 0 0 311.414 3.088 20 10 DGCDRN Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])cc1 ZINC000191213071 525976775 /nfs/dbraw/zinc/97/67/75/525976775.db2.gz GFJLRZHTXGULPW-XHDPSFHLSA-N 0 0 307.340 3.363 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NCC1(C2CC2)CC1 ZINC000157879514 526679629 /nfs/dbraw/zinc/67/96/29/526679629.db2.gz BMOIELDNZKUVTQ-UHFFFAOYSA-N 0 0 311.429 3.052 20 10 DGCDRN Cc1nc(C2(NCc3cc(C)ccc3O)CCCCC2)no1 ZINC000264965510 526768703 /nfs/dbraw/zinc/76/87/03/526768703.db2.gz PHBIIPJEAHETED-UHFFFAOYSA-N 0 0 301.390 3.341 20 10 DGCDRN Nc1ccc(CC(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)cc1 ZINC000158800103 527475935 /nfs/dbraw/zinc/47/59/35/527475935.db2.gz TYVCMYFRLSITRQ-INIZCTEOSA-N 0 0 312.388 3.042 20 10 DGCDRN Nc1ccc(CC(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)cc1 ZINC000158800249 527476997 /nfs/dbraw/zinc/47/69/97/527476997.db2.gz TYVCMYFRLSITRQ-MRXNPFEDSA-N 0 0 312.388 3.042 20 10 DGCDRN Nc1ccc(CC(=O)NCc2ccccc2OC2CCCC2)cc1 ZINC000237905437 527478565 /nfs/dbraw/zinc/47/85/65/527478565.db2.gz UWQRHMXBDYBPCO-UHFFFAOYSA-N 0 0 324.424 3.449 20 10 DGCDRN Nc1ccc(CCNC(=O)C[C@@H]2CCCc3ccccc32)cc1 ZINC000237937052 527479338 /nfs/dbraw/zinc/47/93/38/527479338.db2.gz IVLANUPGMDWWES-KRWDZBQOSA-N 0 0 308.425 3.438 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@@H](C(=O)[O-])C(C)(C)C)cc1F ZINC000277200694 528307219 /nfs/dbraw/zinc/30/72/19/528307219.db2.gz GLLTUYYKOXNPDB-HNNXBMFYSA-N 0 0 310.413 3.261 20 10 DGCDRN CCOC(=O)c1sc(NCc2ccc(N(C)C)cc2)nc1C ZINC000127572584 528400055 /nfs/dbraw/zinc/40/00/55/528400055.db2.gz VFFIDKGCLZTJHF-UHFFFAOYSA-N 0 0 319.430 3.306 20 10 DGCDRN CC(C)(COCc1ccccc1)C(=O)NCc1ccc(N)cc1 ZINC000297309853 535179813 /nfs/dbraw/zinc/17/98/13/535179813.db2.gz WCOCOFASPIABTH-UHFFFAOYSA-N 0 0 312.413 3.128 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)C1SCCS1 ZINC000282561790 535260844 /nfs/dbraw/zinc/26/08/44/535260844.db2.gz UHDDYRJIUSGRBQ-UHFFFAOYSA-N 0 0 311.472 3.327 20 10 DGCDRN CCN(Cc1nc(C(C)(C)C)no1)c1ccc(OC)c(OC)c1 ZINC000299289574 535390573 /nfs/dbraw/zinc/39/05/73/535390573.db2.gz SKDIHVWVWJVXSC-UHFFFAOYSA-N 0 0 319.405 3.411 20 10 DGCDRN CCOc1cccc(CNc2cc(OC)ccc2OC)c1O ZINC000119937256 535463727 /nfs/dbraw/zinc/46/37/27/535463727.db2.gz NYSAOABNHOGGFD-UHFFFAOYSA-N 0 0 303.358 3.420 20 10 DGCDRN CCN(C(=O)/C=C/c1cnccn1)c1ccc(Cl)cc1F ZINC000493625237 535654827 /nfs/dbraw/zinc/65/48/27/535654827.db2.gz IDXGBKWJCHTRGX-GQCTYLIASA-N 0 0 305.740 3.335 20 10 DGCDRN CC[C@@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc(F)cc1[O-] ZINC000286080780 535808415 /nfs/dbraw/zinc/80/84/15/535808415.db2.gz LNOVCNOFXXNVIF-GDBMZVCRSA-N 0 0 315.392 3.246 20 10 DGCDRN CC[C@@H]([NH2+][C@H]1CCN(C(C)C)C1=O)c1cccc(Cl)c1[O-] ZINC000287314436 535808941 /nfs/dbraw/zinc/80/89/41/535808941.db2.gz DAZQVOGYGKCYFH-KGLIPLIRSA-N 0 0 310.825 3.096 20 10 DGCDRN CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NCc1ccc(O)c(O)c1 ZINC000272278844 536035454 /nfs/dbraw/zinc/03/54/54/536035454.db2.gz FJFSFWRADPHGRY-MRRJBJDNSA-N 0 0 321.417 3.088 20 10 DGCDRN COc1ccc(Cl)cc1N(C)C(=O)/C=C/c1cncs1 ZINC000493703151 536565678 /nfs/dbraw/zinc/56/56/78/536565678.db2.gz DQKZETFCGVPEHU-GQCTYLIASA-N 0 0 308.790 3.481 20 10 DGCDRN COCCOc1ccccc1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000273381777 536732137 /nfs/dbraw/zinc/73/21/37/536732137.db2.gz IHKBMPPIRMZUPU-CYBMUJFWSA-N 0 0 319.376 3.407 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C\c2cnn(C)c2C)cc1Cl ZINC000255276869 546335098 /nfs/dbraw/zinc/33/50/98/546335098.db2.gz GSISPJRFGCTIJR-YVMONPNESA-N 0 0 319.792 3.067 20 10 DGCDRN COc1cc(Cl)ccc1CNC(=O)NCc1ccccc1O ZINC000730907687 574538335 /nfs/dbraw/zinc/53/83/35/574538335.db2.gz MVMSTZIUQBKWOH-UHFFFAOYSA-N 0 0 320.776 3.054 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CSC(C)C)cc1F ZINC000731346856 574547715 /nfs/dbraw/zinc/54/77/15/574547715.db2.gz YWKGQTSJLZHPBM-UHFFFAOYSA-N 0 0 312.454 3.430 20 10 DGCDRN Cn1cc(/C=C\C(=O)N(Cc2cscn2)c2ccccc2)cn1 ZINC000731178261 574544801 /nfs/dbraw/zinc/54/48/01/574544801.db2.gz OHSZOMVFWFTQIF-FPLPWBNLSA-N 0 0 324.409 3.123 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000731866911 574561117 /nfs/dbraw/zinc/56/11/17/574561117.db2.gz KVTDHRAVAVXRSM-INIZCTEOSA-N 0 0 317.410 3.040 20 10 DGCDRN COc1ccc(Cl)cc1CN(C)C(=O)C1=CC(=O)CS1 ZINC000731868288 574561422 /nfs/dbraw/zinc/56/14/22/574561422.db2.gz AMUUTYUGVKGRTE-UHFFFAOYSA-N 0 0 311.790 3.388 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cnn3ccccc23)cc1 ZINC000731975279 574564246 /nfs/dbraw/zinc/56/42/46/574564246.db2.gz CBPVYXWQGSANNQ-UHFFFAOYSA-N 0 0 322.412 3.111 20 10 DGCDRN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000732275822 574569948 /nfs/dbraw/zinc/56/99/48/574569948.db2.gz CJCQNSZZZFFSDW-GXTWGEPZSA-N 0 0 316.426 3.019 20 10 DGCDRN COc1cc(C)c(CN(C)C(=O)C2=CC(=O)CS2)cc1OC ZINC000732258039 574570280 /nfs/dbraw/zinc/57/02/80/574570280.db2.gz KDLFIVNAOYSOAB-UHFFFAOYSA-N 0 0 321.398 3.052 20 10 DGCDRN CCc1cccc2c1OCC[C@H]2NC(=O)C1=CC(=O)CS1 ZINC000732282832 574570463 /nfs/dbraw/zinc/57/04/63/574570463.db2.gz VQIMKZCRAJZDNG-CYBMUJFWSA-N 0 0 303.383 3.270 20 10 DGCDRN COc1ccc([C@H]2CCN(C(=O)C3=CC(=O)CS3)C2)cc1 ZINC000732280992 574570483 /nfs/dbraw/zinc/57/04/83/574570483.db2.gz LYSUICUIEGNZAK-LBPRGKRZSA-N 0 0 303.383 3.092 20 10 DGCDRN COc1ccc2cc(NC(=O)C3=CC(=O)CS3)ccc2n1 ZINC000732284641 574570596 /nfs/dbraw/zinc/57/05/96/574570596.db2.gz VQHSGMGGKIEDIW-UHFFFAOYSA-N 0 0 300.339 3.263 20 10 DGCDRN CC(C)(C)c1csc(CCNC(=O)C2=CC(=O)CS2)n1 ZINC000732287981 574570744 /nfs/dbraw/zinc/57/07/44/574570744.db2.gz KQHMGSPIPOSWKC-UHFFFAOYSA-N 0 0 310.444 3.180 20 10 DGCDRN C[C@H](OC(=O)C1=CC(=O)CS1)C(=O)NCCC1=CCCCC1 ZINC000732354110 574572360 /nfs/dbraw/zinc/57/23/60/574572360.db2.gz ZXNJBPYJPVFYCB-NSHDSACASA-N 0 0 323.414 3.006 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)/C=C\C2CCOCC2)cc1 ZINC000732634380 574577553 /nfs/dbraw/zinc/57/75/53/574577553.db2.gz ACBXACLFRYRTTP-YFHOEESVSA-N 0 0 316.445 3.132 20 10 DGCDRN C[C@H]1CCC[C@@H](OCC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000732954387 574589530 /nfs/dbraw/zinc/58/95/30/574589530.db2.gz ZGNFMOCXTHNICV-MAUKXSAKSA-N 0 0 318.461 3.306 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)CO[C@H]2CCC[C@@H](C)C2)c1 ZINC000733000009 574591294 /nfs/dbraw/zinc/59/12/94/574591294.db2.gz LVTMTIHLZPFTNM-IPYPFGDCSA-N 0 0 321.417 3.173 20 10 DGCDRN C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000733332515 574617079 /nfs/dbraw/zinc/61/70/79/574617079.db2.gz CYKNXJOXUGIAGV-CKEIUWERSA-N 0 0 303.450 3.377 20 10 DGCDRN CC(C)c1cc(C(=O)NCCCSc2nccs2)on1 ZINC000733973294 574645203 /nfs/dbraw/zinc/64/52/03/574645203.db2.gz YUNGPEHHUVTIQC-UHFFFAOYSA-N 0 0 311.432 3.167 20 10 DGCDRN COC1CN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)C1 ZINC000733881716 574641559 /nfs/dbraw/zinc/64/15/59/574641559.db2.gz WTMNAWBDFQRJBH-UHFFFAOYSA-N 0 0 318.804 3.218 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)C(C)(C)C)cc1 ZINC000733915671 574643175 /nfs/dbraw/zinc/64/31/75/574643175.db2.gz VTGOWVYNTTWMGT-UHFFFAOYSA-N 0 0 304.434 3.106 20 10 DGCDRN Cc1cc(C(=O)NCCCSc2nccs2)c(C)n1C ZINC000733972291 574646070 /nfs/dbraw/zinc/64/60/70/574646070.db2.gz BZNJHZXDWISVGG-UHFFFAOYSA-N 0 0 309.460 3.011 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2cc3ccccc3cc2O)c1 ZINC000734015680 574648011 /nfs/dbraw/zinc/64/80/11/574648011.db2.gz WBGZXMWNXSNNHL-UHFFFAOYSA-N 0 0 323.348 3.190 20 10 DGCDRN CCOc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC000734402853 574659699 /nfs/dbraw/zinc/65/96/99/574659699.db2.gz QNWLZPWFGJHCST-UHFFFAOYSA-N 0 0 312.413 3.390 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000734526791 574666362 /nfs/dbraw/zinc/66/63/62/574666362.db2.gz UHRJQHIYZFUYSC-XJKSGUPXSA-N 0 0 303.450 3.439 20 10 DGCDRN S=C(NNc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 ZINC000735233815 574692084 /nfs/dbraw/zinc/69/20/84/574692084.db2.gz RCEAVQHTEIVZLI-UHFFFAOYSA-N 0 0 321.789 3.382 20 10 DGCDRN CCN(C(=O)NCc1ccc2c(c1)CCCN2C)C1CCC1 ZINC000738991582 574888419 /nfs/dbraw/zinc/88/84/19/574888419.db2.gz QJXDNDDCYMGZJF-UHFFFAOYSA-N 0 0 301.434 3.153 20 10 DGCDRN CCOc1ccc(N(C)C[C@@H](O)COc2ccc(F)cc2)cc1 ZINC000739923162 574915775 /nfs/dbraw/zinc/91/57/75/574915775.db2.gz YKDBUSNNPOPEMI-MRXNPFEDSA-N 0 0 319.376 3.101 20 10 DGCDRN CCOc1ccc(N(C)Cc2cc(=O)n3cc(C)ccc3n2)cc1 ZINC000739924781 574916260 /nfs/dbraw/zinc/91/62/60/574916260.db2.gz YICZNWRLRQVKGH-UHFFFAOYSA-N 0 0 323.396 3.038 20 10 DGCDRN CN(Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])CC(F)F ZINC000728899978 575192708 /nfs/dbraw/zinc/19/27/08/575192708.db2.gz AAIWUDXKHPZSLL-UHFFFAOYSA-N 0 0 321.323 3.026 20 10 DGCDRN C[C@@H]1C[C@@H](C)N(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000740906140 574945586 /nfs/dbraw/zinc/94/55/86/574945586.db2.gz AMGQYMLMQSEYIH-HUUCEWRRSA-N 0 0 301.434 3.227 20 10 DGCDRN COc1ccc(N(CCOC[C@@H]2CCCO2)CC(C)C)cc1 ZINC000741244565 574954370 /nfs/dbraw/zinc/95/43/70/574954370.db2.gz GUOMNFSSYAENPJ-SFHVURJKSA-N 0 0 307.434 3.353 20 10 DGCDRN Cc1ccc([C@@H](O)C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])o1 ZINC000741262242 574954496 /nfs/dbraw/zinc/95/44/96/574954496.db2.gz UWHKFWHQXXCXOL-LBPRGKRZSA-N 0 0 316.184 3.424 20 10 DGCDRN COc1ccc(NC(=S)NCc2cccn2C)cc1Cl ZINC000743061275 575033922 /nfs/dbraw/zinc/03/39/22/575033922.db2.gz HFFQYWOODPYAQL-UHFFFAOYSA-N 0 0 309.822 3.174 20 10 DGCDRN CC(C)(C)c1cnc(NC(=O)NCc2ccccc2O)s1 ZINC000743219809 575039659 /nfs/dbraw/zinc/03/96/59/575039659.db2.gz CSYLEJMWHIWJQJ-UHFFFAOYSA-N 0 0 305.403 3.468 20 10 DGCDRN CCO[C@@H](C)c1ncc(C(=O)N(C)Cc2ccccc2O)s1 ZINC000743311096 575042840 /nfs/dbraw/zinc/04/28/40/575042840.db2.gz CGPPIWSAQMFKOQ-NSHDSACASA-N 0 0 320.414 3.218 20 10 DGCDRN CCO[C@H](C)c1ncc(C(=O)N(C)Cc2ccccc2O)s1 ZINC000743311095 575042969 /nfs/dbraw/zinc/04/29/69/575042969.db2.gz CGPPIWSAQMFKOQ-LLVKDONJSA-N 0 0 320.414 3.218 20 10 DGCDRN O=C(NCc1ccccc1O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000743326684 575043295 /nfs/dbraw/zinc/04/32/95/575043295.db2.gz GRZNAFCRFJMDDT-XLIONFOSSA-N 0 0 307.393 3.303 20 10 DGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCCS1 ZINC000743325252 575043342 /nfs/dbraw/zinc/04/33/42/575043342.db2.gz WEBWDKJAPXVLTR-MRXNPFEDSA-N 0 0 304.459 3.189 20 10 DGCDRN CCO[C@@H](C)c1noc(CN(C)Cc2cc(C)c(C)cc2O)n1 ZINC000743370461 575047959 /nfs/dbraw/zinc/04/79/59/575047959.db2.gz DLYYSCMCMQAZBJ-ZDUSSCGKSA-N 0 0 319.405 3.122 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2cc3cccc(F)c3o2)c1 ZINC000743410149 575049820 /nfs/dbraw/zinc/04/98/20/575049820.db2.gz IOJRJQRVRKXVEF-UHFFFAOYSA-N 0 0 315.300 3.216 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1Cc2ccccc21 ZINC000743717681 575062136 /nfs/dbraw/zinc/06/21/36/575062136.db2.gz VNOUJOIILLKFJW-KRWDZBQOSA-N 0 0 307.393 3.227 20 10 DGCDRN CN(C)c1cccc(C(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000743719496 575062237 /nfs/dbraw/zinc/06/22/37/575062237.db2.gz CNXNFANEBOIVDW-UHFFFAOYSA-N 0 0 324.424 3.267 20 10 DGCDRN CCc1nc(C)c(C(=O)N[C@H](C)c2cc(OC)ccc2O)s1 ZINC000728983430 575199375 /nfs/dbraw/zinc/19/93/75/575199375.db2.gz ZTGZDEJFVQWGMQ-SECBINFHSA-N 0 0 320.414 3.219 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2sccc2C)c1 ZINC000728944324 575196992 /nfs/dbraw/zinc/19/69/92/575196992.db2.gz VDQYDSXWECFALX-LLVKDONJSA-N 0 0 320.414 3.331 20 10 DGCDRN Cc1noc([C@H](C)NCc2ccc(N3CCCCC3)cc2)n1 ZINC000729683969 575260664 /nfs/dbraw/zinc/26/06/64/575260664.db2.gz IEGWGPPVHSRKTB-ZDUSSCGKSA-N 0 0 300.406 3.219 20 10 DGCDRN C[C@H]1CN(Cc2cc3c(cc2O)CCC3)C[C@@H](C(F)(F)F)O1 ZINC000744445453 575343380 /nfs/dbraw/zinc/34/33/80/575343380.db2.gz VSNUVRIRHMXFDV-BONVTDFDSA-N 0 0 315.335 3.033 20 10 DGCDRN CC[C@H]1C[C@@H](C)CN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000745788823 575417715 /nfs/dbraw/zinc/41/77/15/575417715.db2.gz ROYLHFLTOCMWDD-PBHICJAKSA-N 0 0 315.461 3.399 20 10 DGCDRN COc1cccc(CNC(=O)N[C@@H]2CCCC[C@@H]2C(C)C)c1O ZINC000745803666 575418094 /nfs/dbraw/zinc/41/80/94/575418094.db2.gz RKYHMCHABSBDDY-HUUCEWRRSA-N 0 0 320.433 3.415 20 10 DGCDRN COc1cccc(CNC(=O)NCC[C@H]2CCC[C@H](C)C2)c1O ZINC000745826697 575419410 /nfs/dbraw/zinc/41/94/10/575419410.db2.gz CFJVFFSTMBOGRT-UONOGXRCSA-N 0 0 320.433 3.416 20 10 DGCDRN CCN(C[C@H](O)COc1ccccc1C)c1ccc(OC)cc1 ZINC000746107828 575432738 /nfs/dbraw/zinc/43/27/38/575432738.db2.gz RSUGHGMYPJYIMD-KRWDZBQOSA-N 0 0 315.413 3.270 20 10 DGCDRN CCN(Cc1cc(C(=O)OC)c(C)o1)c1ccc(OC)cc1 ZINC000746110005 575433246 /nfs/dbraw/zinc/43/32/46/575433246.db2.gz ZQLXNFDPPFYSQQ-UHFFFAOYSA-N 0 0 303.358 3.410 20 10 DGCDRN CCN(CC(=O)Nc1ccccc1F)c1ccc(OC)cc1 ZINC000746109450 575433279 /nfs/dbraw/zinc/43/32/79/575433279.db2.gz OWISUAYTRPNQPD-UHFFFAOYSA-N 0 0 302.349 3.299 20 10 DGCDRN CCN(CC(=O)N[C@@H]1CCCC[C@H]1C)c1ccc(OC)cc1 ZINC000746109773 575433320 /nfs/dbraw/zinc/43/33/20/575433320.db2.gz VLIICXSQRWKNHS-RHSMWYFYSA-N 0 0 304.434 3.216 20 10 DGCDRN CCOc1ccc(N(CC)CC(=O)NC(C2CC2)C2CC2)cc1 ZINC000746159480 575436831 /nfs/dbraw/zinc/43/68/31/575436831.db2.gz SRAASGIZLMYEKM-UHFFFAOYSA-N 0 0 316.445 3.216 20 10 DGCDRN COc1ccc(N(CCCN2CCCC2=O)CC(C)C)cc1 ZINC000746169934 575437460 /nfs/dbraw/zinc/43/74/60/575437460.db2.gz HFRZZOFMDWREOL-UHFFFAOYSA-N 0 0 304.434 3.170 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)CCc2ccc(C)o2)c1 ZINC000746688141 575470174 /nfs/dbraw/zinc/47/01/74/575470174.db2.gz BVFFYSGHDWLLDT-LBPRGKRZSA-N 0 0 303.358 3.112 20 10 DGCDRN COC[C@@H](OC(=O)c1cc(C)n(-c2ccccn2)c1C)C(C)C ZINC000747164311 575501488 /nfs/dbraw/zinc/50/14/88/575501488.db2.gz SJILUEOWGRKOMU-MRXNPFEDSA-N 0 0 316.401 3.317 20 10 DGCDRN Cc1cc(C(=O)NCCn2cccn2)c(C)n1-c1ccccc1C ZINC000747214268 575506226 /nfs/dbraw/zinc/50/62/26/575506226.db2.gz WNOPCQOMZVKOFT-UHFFFAOYSA-N 0 0 322.412 3.029 20 10 DGCDRN Cc1cc(CCNC(=O)c2ocnc2C)c(C)n1-c1ccccc1 ZINC000747351260 575513926 /nfs/dbraw/zinc/51/39/26/575513926.db2.gz ZTDXLACJVXMXNA-UHFFFAOYSA-N 0 0 323.396 3.363 20 10 DGCDRN O=C(C1=CC(=O)CS1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000747614238 575527393 /nfs/dbraw/zinc/52/73/93/575527393.db2.gz ONDKINVTGBQXMW-UHFFFAOYSA-N 0 0 318.354 3.167 20 10 DGCDRN COc1cccc(CNC(=S)Nc2ccc(C)c(F)c2)n1 ZINC000748045459 575558393 /nfs/dbraw/zinc/55/83/93/575558393.db2.gz HERCPLBPYHZMEN-UHFFFAOYSA-N 0 0 305.378 3.024 20 10 DGCDRN O=C(NCc1ccccc1O)c1csc(Cc2ccccc2)n1 ZINC000748345555 575581539 /nfs/dbraw/zinc/58/15/39/575581539.db2.gz NAWIFZVQXYOWAI-UHFFFAOYSA-N 0 0 324.405 3.370 20 10 DGCDRN Cc1cc(OCC(=O)NCc2ccccc2O)ccc1Cl ZINC000748354302 575582882 /nfs/dbraw/zinc/58/28/82/575582882.db2.gz YYBPFLIWHLNOEN-UHFFFAOYSA-N 0 0 305.761 3.049 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)c1cn[nH]c1 ZINC000748387885 575584039 /nfs/dbraw/zinc/58/40/39/575584039.db2.gz QPONRDGEABHLHZ-UHFFFAOYSA-N 0 0 300.387 3.155 20 10 DGCDRN C[C@H](NC(=O)NCc1ccccc1O)c1ccc(F)cc1F ZINC000748463366 575588531 /nfs/dbraw/zinc/58/85/31/575588531.db2.gz OWYJVDUHQCXOJF-JTQLQIEISA-N 0 0 306.312 3.231 20 10 DGCDRN COc1ccc(Cl)cc1CNC(=O)NCc1ccccc1O ZINC000748461438 575588570 /nfs/dbraw/zinc/58/85/70/575588570.db2.gz LDGCZVVTSSZYBE-UHFFFAOYSA-N 0 0 320.776 3.054 20 10 DGCDRN COc1ccc(N(CC(=O)N2CCC[C@@H](C)C2)C(C)C)cc1F ZINC000749151573 575630855 /nfs/dbraw/zinc/63/08/55/575630855.db2.gz TXVBIVNURWUYLZ-CQSZACIVSA-N 0 0 322.424 3.308 20 10 DGCDRN O=C(NC[C@H]1SCCc2ccccc21)C1=CC(=O)CS1 ZINC000749543157 575664246 /nfs/dbraw/zinc/66/42/46/575664246.db2.gz AUPYMPSFNFPKDW-CQSZACIVSA-N 0 0 305.424 3.214 20 10 DGCDRN COC[C@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)C1CC1 ZINC000749948191 575691419 /nfs/dbraw/zinc/69/14/19/575691419.db2.gz IPJAZVSARQYXTP-SFHVURJKSA-N 0 0 312.413 3.249 20 10 DGCDRN Cc1cc(C(=O)O[C@@H](C)c2cnccn2)c(C)n1-c1ccccn1 ZINC000751159021 575772892 /nfs/dbraw/zinc/77/28/92/575772892.db2.gz RUPGNFIJNAAHDA-AWEZNQCLSA-N 0 0 322.368 3.197 20 10 DGCDRN CC(C)=C(C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000751199260 575775140 /nfs/dbraw/zinc/77/51/40/575775140.db2.gz UTRPTRSAOQYAHR-UHFFFAOYSA-N 0 0 304.459 3.212 20 10 DGCDRN COc1ccc(N(Cc2ccco2)Cc2cncn2C)cc1F ZINC000751481016 575786694 /nfs/dbraw/zinc/78/66/94/575786694.db2.gz FCVQCIOBOLGDGI-UHFFFAOYSA-N 0 0 315.348 3.368 20 10 DGCDRN CN1CCc2cc(/C=C3\N=C(c4cccc(F)c4)OC3=O)ccc21 ZINC000751524681 575788496 /nfs/dbraw/zinc/78/84/96/575788496.db2.gz XKHDLWSZWMEYTQ-YBEGLDIGSA-N 0 0 322.339 3.163 20 10 DGCDRN COc1cccc(OCCN(C)c2ccc(OC)c(F)c2)c1 ZINC000752000968 575817529 /nfs/dbraw/zinc/81/75/29/575817529.db2.gz CVAGDIUIYDODGX-UHFFFAOYSA-N 0 0 305.349 3.358 20 10 DGCDRN CCN(Cc1ccccc1CC(=O)OC)c1ccc(OC)cc1 ZINC000752008371 575818063 /nfs/dbraw/zinc/81/80/63/575818063.db2.gz UIXPUQLEPCENGE-UHFFFAOYSA-N 0 0 313.397 3.437 20 10 DGCDRN COC(=O)c1cccc(CN(C)c2ccc(OC)cc2OC)c1 ZINC000752125952 575824414 /nfs/dbraw/zinc/82/44/14/575824414.db2.gz MLOMZDSYSZVHLB-UHFFFAOYSA-N 0 0 315.369 3.127 20 10 DGCDRN COc1ccc(N(C)Cc2cccc(NC(C)=O)c2)cc1OC ZINC000725797272 575915420 /nfs/dbraw/zinc/91/54/20/575915420.db2.gz VIILWTCNZPCFQZ-UHFFFAOYSA-N 0 0 314.385 3.299 20 10 DGCDRN CCCCn1nnnc1CN(c1ccc(OC)c(F)c1)C(C)C ZINC000725816162 575919765 /nfs/dbraw/zinc/91/97/65/575919765.db2.gz JZHARKRSBCZDJB-UHFFFAOYSA-N 0 0 321.400 3.036 20 10 DGCDRN C[C@@H](Cc1ccco1)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000725843703 575927315 /nfs/dbraw/zinc/92/73/15/575927315.db2.gz CSJLTZDORYOYAB-VIFPVBQESA-N 0 0 310.737 3.268 20 10 DGCDRN Cc1nc(-c2ccco2)ccc1C(=O)NCc1ccccc1O ZINC000726193424 576012072 /nfs/dbraw/zinc/01/20/72/576012072.db2.gz LJFQQVQFXSGZMF-UHFFFAOYSA-N 0 0 308.337 3.286 20 10 DGCDRN O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccccc1O ZINC000748353928 576077791 /nfs/dbraw/zinc/07/77/91/576077791.db2.gz RQKWLWFHHQXLAF-UHFFFAOYSA-N 0 0 309.287 3.270 20 10 DGCDRN Cc1ccc(C(=O)OCc2cc(-c3ccco3)on2)c(O)c1O ZINC000727005077 576093735 /nfs/dbraw/zinc/09/37/35/576093735.db2.gz FRGLIQBVJGULOI-UHFFFAOYSA-N 0 0 315.281 3.011 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)CN1CCc2ccccc21 ZINC000727168021 576110374 /nfs/dbraw/zinc/11/03/74/576110374.db2.gz HGSCVFWKWIBHJW-UHFFFAOYSA-N 0 0 324.424 3.194 20 10 DGCDRN COC(=O)c1ccc(/C=C\c2ccc(N(C)C)c(F)c2)nc1 ZINC000727655409 576136610 /nfs/dbraw/zinc/13/66/10/576136610.db2.gz WINKWMAVUGLSLK-DAXSKMNVSA-N 0 0 300.333 3.244 20 10 DGCDRN Cc1c(NNC(=S)Nc2ccccc2)cccc1[N+](=O)[O-] ZINC000727982241 576157550 /nfs/dbraw/zinc/15/75/50/576157550.db2.gz YMYOGIXXAFOKET-UHFFFAOYSA-N 0 0 302.359 3.217 20 10 DGCDRN O=C(c1ccccc1)c1ccc(O)c(C[NH+]2C3CCC2CC3)c1[O-] ZINC000728195919 576167806 /nfs/dbraw/zinc/16/78/06/576167806.db2.gz UHGTYJBUKNTPJZ-UHFFFAOYSA-N 0 0 323.392 3.456 20 10 DGCDRN CCCCOCCOC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000728763063 576199762 /nfs/dbraw/zinc/19/97/62/576199762.db2.gz NAZWIACEBIXWMS-UHFFFAOYSA-N 0 0 316.401 3.463 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=S)NC2CCCCC2)c1 ZINC000728792214 576204395 /nfs/dbraw/zinc/20/43/95/576204395.db2.gz IFPCODMWKKNIAH-NSHDSACASA-N 0 0 308.447 3.259 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCC(F)(F)C(C)(C)C)cc1 ZINC000852691235 620641629 /nfs/dbraw/zinc/64/16/29/620641629.db2.gz YFCRONKFXJTOOP-UHFFFAOYSA-N 0 0 313.392 3.233 20 10 DGCDRN FC(F)(F)Oc1ccc2c(c1)CCCN2C[C@H]1CCOC1 ZINC000917103505 620656991 /nfs/dbraw/zinc/65/69/91/620656991.db2.gz OTRSYYKLCWOROZ-LLVKDONJSA-N 0 0 301.308 3.374 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCC[C@@H](O)C2)cc1 ZINC000917341443 620665253 /nfs/dbraw/zinc/66/52/53/620665253.db2.gz SKCBLEKRGHVNHB-SJLPKXTDSA-N 0 0 312.413 3.127 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCC[C@H](O)C2)cc1 ZINC000917341490 620665170 /nfs/dbraw/zinc/66/51/70/620665170.db2.gz SKCBLEKRGHVNHB-WMZOPIPTSA-N 0 0 312.413 3.127 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)C=C3CCCC3)CC2)cc1 ZINC000917824239 620685821 /nfs/dbraw/zinc/68/58/21/620685821.db2.gz OYHNMVCVZZDKER-UHFFFAOYSA-N 0 0 314.429 3.234 20 10 DGCDRN Cc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2O)cc1C ZINC000111235485 620685192 /nfs/dbraw/zinc/68/51/92/620685192.db2.gz NFSIVJPWHGTUJW-HNNXBMFYSA-N 0 0 312.413 3.468 20 10 DGCDRN CSCCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000917932416 620688394 /nfs/dbraw/zinc/68/83/94/620688394.db2.gz PLRNFJFYBMPBDK-UHFFFAOYSA-N 0 0 306.406 3.326 20 10 DGCDRN CCOC(=O)c1cnc(NCc2ccc(N(C)C)cc2C)s1 ZINC000853343140 620688306 /nfs/dbraw/zinc/68/83/06/620688306.db2.gz XOYMWQMCNOTIKI-UHFFFAOYSA-N 0 0 319.430 3.306 20 10 DGCDRN Cc1nc(C)c(Br)c(N(C)Cc2ccccc2O)n1 ZINC000853462235 620697426 /nfs/dbraw/zinc/69/74/26/620697426.db2.gz NEDVTNHLWMFXTG-UHFFFAOYSA-N 0 0 322.206 3.198 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)Cn2ccc3ccccc32)cc1 ZINC000918278605 620703427 /nfs/dbraw/zinc/70/34/27/620703427.db2.gz BHSIBOYUMLOZPI-UHFFFAOYSA-N 0 0 321.424 3.366 20 10 DGCDRN Cc1cccc(C(=O)Nc2cccc(N3CCOCC3)c2)c1C ZINC000918374380 620706035 /nfs/dbraw/zinc/70/60/35/620706035.db2.gz CYERAGVQLDEWER-UHFFFAOYSA-N 0 0 310.397 3.392 20 10 DGCDRN COc1cc(O)c(CN2CC[C@@H]2c2ccc(F)cc2)cc1OC ZINC000853544805 620709136 /nfs/dbraw/zinc/70/91/36/620709136.db2.gz KGOXJOVSISFWGY-OAHLLOKOSA-N 0 0 317.360 3.496 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N(C2CC2)C2CCCC2)cc1 ZINC000111414236 620710689 /nfs/dbraw/zinc/71/06/89/620710689.db2.gz BJDWHGHUPXHGBJ-UHFFFAOYSA-N 0 0 301.434 3.369 20 10 DGCDRN Cc1cc(C)c(O)c(CN2CCO[C@@H](CC(F)(F)F)C2)c1 ZINC000853610582 620716129 /nfs/dbraw/zinc/71/61/29/620716129.db2.gz FDWOMMBQOVVFEH-ZDUSSCGKSA-N 0 0 303.324 3.162 20 10 DGCDRN O=C(C=C1CCCC1)NCc1ccc(N2CCSCC2)cc1 ZINC000918617007 620716730 /nfs/dbraw/zinc/71/67/30/620716730.db2.gz CQCYUZYOVFBISP-UHFFFAOYSA-N 0 0 316.470 3.356 20 10 DGCDRN C[C@]1(C(F)F)CN(Cc2cc3c(cc2O)CCCC3)CCO1 ZINC000853635344 620718364 /nfs/dbraw/zinc/71/83/64/620718364.db2.gz ZLGFYOJUORTWPT-QGZVFWFLSA-N 0 0 311.372 3.127 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1cccc(C(=O)N(C)C)c1 ZINC000918735779 620722868 /nfs/dbraw/zinc/72/28/68/620722868.db2.gz AHGWOJYQAWKQPC-UHFFFAOYSA-N 0 0 324.424 3.350 20 10 DGCDRN Cc1cc(C(=O)OC[C@@H]2CCOC2)c(C)n1-c1ccc(F)cc1 ZINC000918834678 620727288 /nfs/dbraw/zinc/72/72/88/620727288.db2.gz YNQKEJYHVCWTQZ-CQSZACIVSA-N 0 0 317.360 3.427 20 10 DGCDRN CCc1cc(C)nc(N[C@@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000853759299 620734420 /nfs/dbraw/zinc/73/44/20/620734420.db2.gz RSSYBOMRNUMLJR-OAHLLOKOSA-N 0 0 312.417 3.047 20 10 DGCDRN Cc1cn(CC(=O)c2cc(C)n(-c3ccccc3C)c2C)nn1 ZINC000853720225 620728671 /nfs/dbraw/zinc/72/86/71/620728671.db2.gz ZJDFAOQXLQFYTF-UHFFFAOYSA-N 0 0 308.385 3.185 20 10 DGCDRN Clc1cc(OC[C@H]2COCCO2)ccc1N1CCCCC1 ZINC000853726514 620729933 /nfs/dbraw/zinc/72/99/33/620729933.db2.gz XBCPYVKDNFEWQZ-CQSZACIVSA-N 0 0 311.809 3.125 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H](CCF)C1 ZINC000853749275 620732926 /nfs/dbraw/zinc/73/29/26/620732926.db2.gz NVMBDINISDQVIU-OAHLLOKOSA-N 0 0 321.440 3.342 20 10 DGCDRN COc1ccc(N2CC[C@@H](Nc3cc(C(C)C)ncn3)C2)cc1 ZINC000853759758 620734395 /nfs/dbraw/zinc/73/43/95/620734395.db2.gz ZHSGDCLPMCCDBU-CQSZACIVSA-N 0 0 312.417 3.299 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CC[C@H]2C2CCCC2)cc1 ZINC000889413916 617616735 /nfs/dbraw/zinc/61/67/35/617616735.db2.gz JOTPYNODDNOFFZ-AWEZNQCLSA-N 0 0 300.362 3.254 20 10 DGCDRN Cc1cncc(/C=C\C(=O)N2CC3(CC3)Oc3ccccc32)c1 ZINC000890620176 617627116 /nfs/dbraw/zinc/62/71/16/617627116.db2.gz FRWCNWYBGRXWMO-SREVYHEPSA-N 0 0 306.365 3.361 20 10 DGCDRN Cc1ccncc1/C=C\C(=O)N1CC2(CC2)Oc2ccccc21 ZINC000890619628 617627178 /nfs/dbraw/zinc/62/71/78/617627178.db2.gz NNHOEYCNLBJCSM-SREVYHEPSA-N 0 0 306.365 3.361 20 10 DGCDRN Cc1cc(C)n([C@@H](C)CC(=O)NCc2cccc(Cl)c2O)n1 ZINC000890757768 617656042 /nfs/dbraw/zinc/65/60/42/617656042.db2.gz LBYIFFYPIRUPOK-LBPRGKRZSA-N 0 0 321.808 3.126 20 10 DGCDRN C[C@H]1C(=O)CC[C@@H](C(=O)NCc2cccc(Cl)c2O)C1(C)C ZINC000890760049 617656497 /nfs/dbraw/zinc/65/64/97/617656497.db2.gz ZJXDDPGJXDHBSQ-JQWIXIFHSA-N 0 0 323.820 3.303 20 10 DGCDRN CC[C@H]1C[C@H](CC(=O)NCc2cccc(Cl)c2O)CCO1 ZINC000890759726 617656528 /nfs/dbraw/zinc/65/65/28/617656528.db2.gz PHEUGXHCZYJTPI-YPMHNXCESA-N 0 0 311.809 3.257 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1CC12CCSCC2 ZINC000890760862 617656940 /nfs/dbraw/zinc/65/69/40/617656940.db2.gz BOHBTRLDCHQJDG-NSHDSACASA-N 0 0 311.834 3.195 20 10 DGCDRN C[C@H]1CCC[C@H](OCC(=O)NCc2cccc(Cl)c2O)C1 ZINC000890760551 617657054 /nfs/dbraw/zinc/65/70/54/617657054.db2.gz SXMJHTNPLMYZPH-AAEUAGOBSA-N 0 0 311.809 3.257 20 10 DGCDRN C[C@@H]1CC=CC[C@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000890765194 617660060 /nfs/dbraw/zinc/66/00/60/617660060.db2.gz PUQOLGHPNOCMCB-MWLCHTKSSA-N 0 0 303.383 3.397 20 10 DGCDRN CC(C)C[C@H](C)C(=O)NCc1cc(Br)ccc1O ZINC000804735688 617661842 /nfs/dbraw/zinc/66/18/42/617661842.db2.gz HARLEFFMTRQWJY-JTQLQIEISA-N 0 0 314.223 3.453 20 10 DGCDRN CCc1occc1C(=O)NCc1cc(Br)ccc1O ZINC000804734040 617662073 /nfs/dbraw/zinc/66/20/73/617662073.db2.gz AJNKOTUXXVUUBN-UHFFFAOYSA-N 0 0 324.174 3.240 20 10 DGCDRN O=C(NCc1cc(Br)ccc1O)C1CCCCC1 ZINC000804737967 617662393 /nfs/dbraw/zinc/66/23/93/617662393.db2.gz XMEVIYXGZYQZOE-UHFFFAOYSA-N 0 0 312.207 3.351 20 10 DGCDRN CC[N@@H+](Cc1cc(C)cc(Br)c1[O-])C[C@H](C)OC ZINC000812808169 617678976 /nfs/dbraw/zinc/67/89/76/617678976.db2.gz ADBTZZWLISIJKX-NSHDSACASA-N 0 0 316.239 3.320 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CCN(C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806137098 617746272 /nfs/dbraw/zinc/74/62/72/617746272.db2.gz GVSXAQAOJQKATQ-MFKMUULPSA-N 0 0 303.233 3.444 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)NC[C@H]1CC1(Cl)Cl ZINC000891565587 617836986 /nfs/dbraw/zinc/83/69/86/617836986.db2.gz JPGYUEJBYOXJAZ-MRVPVSSYSA-N 0 0 323.607 3.039 20 10 DGCDRN CC[C@H](C)CN(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000111845466 620764297 /nfs/dbraw/zinc/76/42/97/620764297.db2.gz TUIVXACCGMZCHS-AWEZNQCLSA-N 0 0 303.450 3.257 20 10 DGCDRN C[C@@H](Nc1nccnc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000892025019 617946270 /nfs/dbraw/zinc/94/62/70/617946270.db2.gz JLGJULYLUQIGKE-GFCCVEGCSA-N 0 0 318.808 3.140 20 10 DGCDRN C[C@H](NC(=O)NCCc1ccc(N)cc1)[C@@]12C[C@@H]1CCCC2 ZINC000892039710 617949419 /nfs/dbraw/zinc/94/94/19/617949419.db2.gz XUMVDYGJAJFZJU-DHSIGJKJSA-N 0 0 301.434 3.079 20 10 DGCDRN Nc1ccc2c(c1)CCC[C@@H]2NC(=O)N1Cc2cccc(O)c2C1 ZINC000892071866 617956314 /nfs/dbraw/zinc/95/63/14/617956314.db2.gz SMOGWCPIGQZSQU-KRWDZBQOSA-N 0 0 323.396 3.077 20 10 DGCDRN Cc1ccc(CC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)o1 ZINC000840555015 618031818 /nfs/dbraw/zinc/03/18/18/618031818.db2.gz NDRPSOSUUGYHCN-CQSZACIVSA-N 0 0 314.429 3.252 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2ccncc2)cc1 ZINC000919897044 620771093 /nfs/dbraw/zinc/77/10/93/620771093.db2.gz VEFQAVASLWQKQG-UHFFFAOYSA-N 0 0 312.417 3.014 20 10 DGCDRN c1cn(CCOc2ccccc2NCc2nccn2C2CC2)cn1 ZINC000892347263 618038018 /nfs/dbraw/zinc/03/80/18/618038018.db2.gz XMAYVSDEKPJYMB-UHFFFAOYSA-N 0 0 323.400 3.106 20 10 DGCDRN COC(=O)C1=C(C)O[C@@H](CSc2ncc(Cl)s2)C1 ZINC000850000119 618054022 /nfs/dbraw/zinc/05/40/22/618054022.db2.gz JUEZLYPCBFBEJX-SSDOTTSWSA-N 0 0 305.808 3.125 20 10 DGCDRN C[C@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000920053411 620780285 /nfs/dbraw/zinc/78/02/85/620780285.db2.gz FWJLMTSNDZBXLP-CQSZACIVSA-N 0 0 301.434 3.132 20 10 DGCDRN CN1CCCc2cc(C[NH2+]Cc3cn4ccnc4s3)ccc21 ZINC000892732164 618151087 /nfs/dbraw/zinc/15/10/87/618151087.db2.gz HDXNNIKOKHDDJS-UHFFFAOYSA-N 0 0 312.442 3.068 20 10 DGCDRN CC(=O)Nc1cccc(NC(=S)NNc2cccc(F)c2)c1 ZINC000920079374 620781594 /nfs/dbraw/zinc/78/15/94/620781594.db2.gz FBSOKDQKQBSRMD-UHFFFAOYSA-N 0 0 318.377 3.098 20 10 DGCDRN O=C([O-])C1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CCC1 ZINC000854244773 620787665 /nfs/dbraw/zinc/78/76/65/620787665.db2.gz RYSFCMCHYAQVJW-UHFFFAOYSA-N 0 0 311.381 3.404 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1COC(C)(C)C1 ZINC000854254693 620788754 /nfs/dbraw/zinc/78/87/54/620788754.db2.gz IRNGBWQVEQKBEA-OAHLLOKOSA-N 0 0 320.433 3.271 20 10 DGCDRN CC(C)N(Cc1nnc(C2CC2)o1)Cc1ccc(N(C)C)cc1 ZINC000920206522 620789756 /nfs/dbraw/zinc/78/97/56/620789756.db2.gz LWMYPYBMPXQJGX-UHFFFAOYSA-N 0 0 314.433 3.424 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)NC(C)(C)C(C)C)C2)cc1 ZINC000854295754 620791914 /nfs/dbraw/zinc/79/19/14/620791914.db2.gz BBXCIFOLSQLWFY-CQSZACIVSA-N 0 0 319.449 3.008 20 10 DGCDRN CC[C@H](C)N(CC)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854295792 620791992 /nfs/dbraw/zinc/79/19/92/620791992.db2.gz CEVPMVACNGYJKK-GJZGRUSLSA-N 0 0 319.449 3.104 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)CCCc2cccnc2)cc1 ZINC000854323555 620795120 /nfs/dbraw/zinc/79/51/20/620795120.db2.gz CBKSNEULCANUHL-UHFFFAOYSA-N 0 0 311.429 3.129 20 10 DGCDRN C[C@@H](Cc1ccco1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000854323500 620795245 /nfs/dbraw/zinc/79/52/45/620795245.db2.gz AKNSLYWIHHUDKW-AWEZNQCLSA-N 0 0 300.402 3.183 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)CCc1ccon1 ZINC000854375041 620799226 /nfs/dbraw/zinc/79/92/26/620799226.db2.gz DZHOGAQCYJQXSC-UHFFFAOYSA-N 0 0 302.374 3.142 20 10 DGCDRN CCOc1ncc(C)cc1NCc1ccc(OC)c(OC)c1O ZINC000894666361 618416750 /nfs/dbraw/zinc/41/67/50/618416750.db2.gz BUJUARHGSJWYCN-UHFFFAOYSA-N 0 0 318.373 3.124 20 10 DGCDRN CCOC(=O)c1cnc(Sc2nnc(C3CC3)s2)s1 ZINC000853397196 618434519 /nfs/dbraw/zinc/43/45/19/618434519.db2.gz YCYWENVXDMDDNO-UHFFFAOYSA-N 0 0 313.429 3.200 20 10 DGCDRN CC(C)N(CC1CC1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000893136477 618441884 /nfs/dbraw/zinc/44/18/84/618441884.db2.gz VYAMLVAOLPYJFV-UHFFFAOYSA-N 0 0 313.445 3.393 20 10 DGCDRN CS[C@@H]1CC[C@@H](NC(=O)NCc2cccc(Cl)c2O)C1 ZINC000893288575 618498218 /nfs/dbraw/zinc/49/82/18/618498218.db2.gz AQTJSCJOSRUEMM-GHMZBOCLSA-N 0 0 314.838 3.129 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1CN1CC2(CC(F)C2)C1 ZINC000894977811 618505655 /nfs/dbraw/zinc/50/56/55/618505655.db2.gz XEUAEQJAODLCBZ-UHFFFAOYSA-N 0 0 318.161 3.228 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000895280110 618586964 /nfs/dbraw/zinc/58/69/64/618586964.db2.gz OIITXRSWGKPHJV-INIZCTEOSA-N 0 0 311.372 3.452 20 10 DGCDRN CCN(C(=O)C1=CC(=O)CS1)[C@H](C)[C@H](O)c1ccccc1 ZINC000854564438 620818345 /nfs/dbraw/zinc/81/83/45/620818345.db2.gz YMTGQOUMTHNNAO-ABAIWWIYSA-N 0 0 305.399 3.038 20 10 DGCDRN COc1ccc(CNc2cncc3c2CCCC3)c(O)c1OC ZINC000895310700 618592791 /nfs/dbraw/zinc/59/27/91/618592791.db2.gz UHAFYAXEEPINMW-UHFFFAOYSA-N 0 0 314.385 3.295 20 10 DGCDRN CCC/C=C\C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000920737381 620820467 /nfs/dbraw/zinc/82/04/67/620820467.db2.gz GZECXKJXIMAABY-PLNGDYQASA-N 0 0 304.459 3.212 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000840958109 618634527 /nfs/dbraw/zinc/63/45/27/618634527.db2.gz NOCJKOSOCYOZGS-GOEBONIOSA-N 0 0 303.789 3.354 20 10 DGCDRN COc1ccc(-c2nnc(NCc3cc(C)ccc3O)o2)cc1 ZINC000128862786 625282269 /nfs/dbraw/zinc/28/22/69/625282269.db2.gz QBBFBDDYNVHDKY-UHFFFAOYSA-N 0 0 311.341 3.371 20 10 DGCDRN COC(=O)[C@@H](NCc1ccc2c(c1)CCCO2)c1cccs1 ZINC000893950610 618682327 /nfs/dbraw/zinc/68/23/27/618682327.db2.gz JNYMOQWZGBWZOD-INIZCTEOSA-N 0 0 317.410 3.077 20 10 DGCDRN C[C@@H](NC(=O)NC[C@@H]1CC(C)(C)OC1(C)C)c1ccccc1O ZINC000927632907 618710371 /nfs/dbraw/zinc/71/03/71/618710371.db2.gz PIWQPOSYQRBAJX-OLZOCXBDSA-N 0 0 320.433 3.346 20 10 DGCDRN COc1cc(C)cc(CNc2ccc3c(c2)OCCO3)c1O ZINC000894196760 618726904 /nfs/dbraw/zinc/72/69/04/618726904.db2.gz BHLDBHHBQSLMGU-UHFFFAOYSA-N 0 0 301.342 3.093 20 10 DGCDRN CCCc1csc(NC(=O)NCCc2ccc(N)cc2)n1 ZINC000841173591 618741662 /nfs/dbraw/zinc/74/16/62/618741662.db2.gz QDWVVLDHVVUIKN-UHFFFAOYSA-N 0 0 304.419 3.042 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1C[C@H]2CCC[C@H]21)c1ccc(N(C)C)cc1 ZINC000894287581 618752895 /nfs/dbraw/zinc/75/28/95/618752895.db2.gz WFASNTNSBWXCRM-LBRJOISOSA-N 0 0 301.434 3.301 20 10 DGCDRN CCN(CC)c1ccc(CN[C@@H](C)c2nonc2C)cc1F ZINC000925013185 618764069 /nfs/dbraw/zinc/76/40/69/618764069.db2.gz KTRGPEOBQRHVPG-NSHDSACASA-N 0 0 306.385 3.214 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000895391987 618778165 /nfs/dbraw/zinc/77/81/65/618778165.db2.gz IVDIPFVNSHMUPB-GOSISDBHSA-N 0 0 319.351 3.154 20 10 DGCDRN COc1ccc(CNc2ccc3c(c2)CCOC3)c(O)c1OC ZINC000895393598 618778495 /nfs/dbraw/zinc/77/84/95/618778495.db2.gz ZIJRDLLLJSABPK-UHFFFAOYSA-N 0 0 315.369 3.094 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@@H](O)C[C@H]1c1ccccc1 ZINC000895422800 618783514 /nfs/dbraw/zinc/78/35/14/618783514.db2.gz OITWFUTZIWQABA-WBVHZDCISA-N 0 0 319.351 3.368 20 10 DGCDRN CCC(=O)N(C)c1ccc(NCc2cc(OC)ccc2O)cc1 ZINC000895621622 618808443 /nfs/dbraw/zinc/80/84/43/618808443.db2.gz ADGVVPFBKWYTLU-UHFFFAOYSA-N 0 0 314.385 3.386 20 10 DGCDRN C[C@@H](CNC(=O)NCc1cccc(Cl)c1O)c1ccccn1 ZINC000895636713 618810669 /nfs/dbraw/zinc/81/06/69/618810669.db2.gz YRTRLJYIXBUAHB-NSHDSACASA-N 0 0 319.792 3.044 20 10 DGCDRN CC1(C)CO[C@H](CC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000895711376 618821219 /nfs/dbraw/zinc/82/12/19/618821219.db2.gz QCPPRKFSZRMBRV-QGZVFWFLSA-N 0 0 316.445 3.108 20 10 DGCDRN CCN(CC)c1ccc(CN2CCc3ncncc3C2)cc1F ZINC000895722026 618823287 /nfs/dbraw/zinc/82/32/87/618823287.db2.gz BPVHMPCAERRNIK-UHFFFAOYSA-N 0 0 314.408 3.020 20 10 DGCDRN CC1(C)[C@@H](CNC(=O)NCc2cccc(Cl)c2O)C1(F)F ZINC000895839345 618836909 /nfs/dbraw/zinc/83/69/09/618836909.db2.gz NWJXXPNHXKSRFZ-SNVBAGLBSA-N 0 0 318.751 3.136 20 10 DGCDRN Oc1cccc(F)c1CNc1cc(Cl)nc([C@H]2CCCO2)n1 ZINC000895832675 618839158 /nfs/dbraw/zinc/83/91/58/618839158.db2.gz LOZAEUBZRQALEH-GFCCVEGCSA-N 0 0 323.755 3.438 20 10 DGCDRN CCOC(=O)[C@@](C)(NCc1cc(F)ccc1O)c1ccccc1 ZINC000895894678 618847333 /nfs/dbraw/zinc/84/73/33/618847333.db2.gz NYNCTTKIOOGEAD-SFHVURJKSA-N 0 0 317.360 3.099 20 10 DGCDRN CCC[C@H](CNC(=O)NCc1cccc(Cl)c1O)OCC ZINC000895953627 618854829 /nfs/dbraw/zinc/85/48/29/618854829.db2.gz ZRGCFRFDSPQDNO-GFCCVEGCSA-N 0 0 314.813 3.050 20 10 DGCDRN O=C(NCc1ccccc1O)[C@@H](c1ccncc1)C1CCCC1 ZINC000896014927 618862382 /nfs/dbraw/zinc/86/23/82/618862382.db2.gz FTHHQAJSSGEYPO-GOSISDBHSA-N 0 0 310.397 3.377 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)C[C@H]1CC(C)(C)CO1 ZINC000896056147 618867751 /nfs/dbraw/zinc/86/77/51/618867751.db2.gz CWTCJIGKTKJHJA-HNNXBMFYSA-N 0 0 305.418 3.336 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CCO[C@H](C)CC2)c1 ZINC000896586665 618931187 /nfs/dbraw/zinc/93/11/87/618931187.db2.gz ZWKXTQSSABWBED-LLVKDONJSA-N 0 0 314.223 3.074 20 10 DGCDRN Cc1cc(O)c(CN[C@@H](c2ncccn2)C2CC2)cc1Cl ZINC000896596901 618932891 /nfs/dbraw/zinc/93/28/91/618932891.db2.gz LFRVAKTUHXNHFA-OAHLLOKOSA-N 0 0 303.793 3.385 20 10 DGCDRN CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]Cc1c([O-])cccc1F ZINC000896637521 618939819 /nfs/dbraw/zinc/93/98/19/618939819.db2.gz JWFKQHJDGUWZIG-BIBXISHDSA-N 0 0 303.314 3.344 20 10 DGCDRN COc1ccc(C[C@H](C)[NH2+]Cc2c([O-])cccc2F)cc1OC ZINC000896638571 618939859 /nfs/dbraw/zinc/93/98/59/618939859.db2.gz VTWRPAMIGRBBTA-LBPRGKRZSA-N 0 0 319.376 3.269 20 10 DGCDRN C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H](C)S1 ZINC000896701033 618945594 /nfs/dbraw/zinc/94/55/94/618945594.db2.gz MAAMRCBHKDMHSE-DTORHVGOSA-N 0 0 323.439 3.279 20 10 DGCDRN C[C@@H]1C[C@H](NC(=O)NCc2cccc(Cl)c2O)CCS1 ZINC000896706559 618946671 /nfs/dbraw/zinc/94/66/71/618946671.db2.gz VDSBEXCLHRFPBY-MWLCHTKSSA-N 0 0 314.838 3.129 20 10 DGCDRN C[C@H](NC(=O)NCC(C)(C)C1CCOCC1)c1ccccc1O ZINC000897027588 619002762 /nfs/dbraw/zinc/00/27/62/619002762.db2.gz MLRGPDIEZFBTGU-ZDUSSCGKSA-N 0 0 320.433 3.205 20 10 DGCDRN CC1(C)CC[C@H](CCNC(=O)N2Cc3cccc(O)c3C2)OC1 ZINC000897098131 619016642 /nfs/dbraw/zinc/01/66/42/619016642.db2.gz QPLMDULVHKBZNF-CQSZACIVSA-N 0 0 318.417 3.013 20 10 DGCDRN Cn1nc(C2CC2)cc1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000897223945 619032186 /nfs/dbraw/zinc/03/21/86/619032186.db2.gz BZODVURWODZMBK-UHFFFAOYSA-N 0 0 309.772 3.085 20 10 DGCDRN COc1cccc(O)c1C[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000897269605 619039792 /nfs/dbraw/zinc/03/97/92/619039792.db2.gz KIYVAKJOZSQDJQ-HNNXBMFYSA-N 0 0 305.418 3.039 20 10 DGCDRN O=C(N[C@@H]1CC12CCCC2)c1cc2cc(O)c(O)cc2s1 ZINC000897566043 619161517 /nfs/dbraw/zinc/16/15/17/619161517.db2.gz DVSKKZLAJPCALL-CQSZACIVSA-N 0 0 303.383 3.375 20 10 DGCDRN CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000786574836 619164298 /nfs/dbraw/zinc/16/42/98/619164298.db2.gz GQQRLOJFGBESKX-YIZRAAEISA-N 0 0 320.202 3.368 20 10 DGCDRN C[C@@H](NC(=O)N[C@H]1CCOC12CCCCC2)c1ccccc1O ZINC000897643620 619170062 /nfs/dbraw/zinc/17/00/62/619170062.db2.gz XFKNVGKZHGKBTM-CJNGLKHVSA-N 0 0 318.417 3.244 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1CCSC(C)(C)C1)c1ccccc1O ZINC000897854303 619189107 /nfs/dbraw/zinc/18/91/07/619189107.db2.gz DEDFRPKCKGARHP-RYUDHWBXSA-N 0 0 308.447 3.427 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCSC(C)(C)C1 ZINC000897877853 619190414 /nfs/dbraw/zinc/19/04/14/619190414.db2.gz NQVJCKVAKZFYGG-CYBMUJFWSA-N 0 0 308.447 3.208 20 10 DGCDRN COc1cc(C)cc(CNCc2nc(C(C)(C)C)co2)c1O ZINC000897941724 619197363 /nfs/dbraw/zinc/19/73/63/619197363.db2.gz DUWXCRSEGJELBY-UHFFFAOYSA-N 0 0 304.390 3.285 20 10 DGCDRN C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897989706 619203979 /nfs/dbraw/zinc/20/39/79/619203979.db2.gz PORIVGVXTVYRMX-KXUCPTDWSA-N 0 0 305.399 3.429 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000898215793 619222275 /nfs/dbraw/zinc/22/22/75/619222275.db2.gz QXEWSXZBBBPMLY-RCBQFDQVSA-N 0 0 307.821 3.483 20 10 DGCDRN C[C@]1(Br)C[C@@H]1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898215799 619222477 /nfs/dbraw/zinc/22/24/77/619222477.db2.gz QYAKPMISRWYEOD-SKDRFNHKSA-N 0 0 304.615 3.309 20 10 DGCDRN CCN(C)c1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])cn1 ZINC000898219094 619222948 /nfs/dbraw/zinc/22/29/48/619222948.db2.gz UVGIBNPKKVTATQ-UHFFFAOYSA-N 0 0 305.809 3.187 20 10 DGCDRN CCO[C@H](C[NH2+][C@@H](CC)c1cccc(Cl)c1[O-])CN(C)C ZINC000926962606 619253323 /nfs/dbraw/zinc/25/33/23/619253323.db2.gz RASLHIDZSKWTER-DOMZBBRYSA-N 0 0 314.857 3.053 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]CCOC1CCSCC1 ZINC000898439326 619275235 /nfs/dbraw/zinc/27/52/35/619275235.db2.gz JDYWCSBJQICUKI-UHFFFAOYSA-N 0 0 301.839 3.047 20 10 DGCDRN CCSC1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000898977509 619303976 /nfs/dbraw/zinc/30/39/76/619303976.db2.gz JJDWQPRHRMQUIO-UHFFFAOYSA-N 0 0 323.439 3.328 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@@H](c1ccncc1)C1CC1 ZINC000899019720 619307817 /nfs/dbraw/zinc/30/78/17/619307817.db2.gz LVCMSMYOTJZJBC-QGZVFWFLSA-N 0 0 311.385 3.080 20 10 DGCDRN O=C(NCC[C@H]1CCCS1)c1cc2cc(O)c(O)cc2s1 ZINC000899168652 619316095 /nfs/dbraw/zinc/31/60/95/619316095.db2.gz DVNSTHASLBNPET-SNVBAGLBSA-N 0 0 323.439 3.328 20 10 DGCDRN Cc1cc(/C=C2/SC(=S)N(C3CCC3)C2=O)cnc1F ZINC000899260938 619323651 /nfs/dbraw/zinc/32/36/51/619323651.db2.gz VKVRQRXPWWCXKS-IZZDOVSWSA-N 0 0 308.403 3.283 20 10 DGCDRN C[C@H]1Cc2cc(/C=C3/SC(=S)N(C4CC4)C3=O)ccc2O1 ZINC000899260403 619323702 /nfs/dbraw/zinc/32/37/02/619323702.db2.gz FVZWDVUOTOAKEA-PFMRQGHBSA-N 0 0 317.435 3.374 20 10 DGCDRN CCN1C(=O)/C(=C\c2ccc3c(c2)C[C@H](C)O3)SC1=S ZINC000899333435 619326538 /nfs/dbraw/zinc/32/65/38/619326538.db2.gz QJLGYRPFJIHXOR-ITTMYVLYSA-N 0 0 305.424 3.231 20 10 DGCDRN CCc1onc(C)c1/C=C1/SC(N2CCCCC2)=NC1=O ZINC000899341577 619327343 /nfs/dbraw/zinc/32/73/43/619327343.db2.gz DEOKFFPIXYOWJB-UKTHLTGXSA-N 0 0 305.403 3.002 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000899425659 619340466 /nfs/dbraw/zinc/34/04/66/619340466.db2.gz WZPVMXDHROXOCH-UFBFGSQYSA-N 0 0 305.321 3.258 20 10 DGCDRN Cc1ccc(O)cc1C(=O)NCCCSc1nccs1 ZINC000900683901 619445504 /nfs/dbraw/zinc/44/55/04/619445504.db2.gz SQHQKYVJCOYVFM-UHFFFAOYSA-N 0 0 308.428 3.069 20 10 DGCDRN CC(C)(CC(=O)NCc1ccc(O)c(O)c1)CC(F)(F)F ZINC000901131652 619473856 /nfs/dbraw/zinc/47/38/56/619473856.db2.gz NKKLFHINRFGYPC-UHFFFAOYSA-N 0 0 305.296 3.083 20 10 DGCDRN CCCn1cc([C@H](C)NCc2ccc(N3CCCC3)cc2)nn1 ZINC000902742423 619668815 /nfs/dbraw/zinc/66/88/15/619668815.db2.gz PSMRSRCEOTUPFM-HNNXBMFYSA-N 0 0 313.449 3.139 20 10 DGCDRN C[C@@H]([NH2+]C1CC(CC(N)=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000903261602 619747178 /nfs/dbraw/zinc/74/71/78/619747178.db2.gz YRVOZFJVLCUSEC-AFPNSQJFSA-N 0 0 317.216 3.004 20 10 DGCDRN C[C@@H]([NH2+][C@H](CO)CCc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000903288538 619754798 /nfs/dbraw/zinc/75/47/98/619754798.db2.gz CUOBGAGPDSYWJP-DOMZBBRYSA-N 0 0 321.367 3.315 20 10 DGCDRN CC[C@H]([NH2+]C[C@H]1CCN1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000903318793 619755140 /nfs/dbraw/zinc/75/51/40/619755140.db2.gz SYOVOOOZQGTZJS-MFKMUULPSA-N 0 0 303.233 3.444 20 10 DGCDRN C[C@@H]([NH2+]C[C@](C)(O)c1cccc(F)c1)c1c([O-])cccc1F ZINC000903310562 619757278 /nfs/dbraw/zinc/75/72/78/619757278.db2.gz ZJHORLBYZAUXGK-DIFFPNOSSA-N 0 0 307.340 3.229 20 10 DGCDRN C[C@@H]([NH2+]C[C@@](C)(O)c1cccc(F)c1)c1c([O-])cccc1F ZINC000903310564 619757525 /nfs/dbraw/zinc/75/75/25/619757525.db2.gz ZJHORLBYZAUXGK-PIGZYNQJSA-N 0 0 307.340 3.229 20 10 DGCDRN CC[C@@H]([NH2+]Cc1ccc(CCO)cc1)c1ccc(F)cc1[O-] ZINC000903404212 619770915 /nfs/dbraw/zinc/77/09/15/619770915.db2.gz YEUZLQMKIJPHNQ-QGZVFWFLSA-N 0 0 303.377 3.307 20 10 DGCDRN CC[C@H]([NH2+]Cc1cnc2n1CCOC2)c1cccc(Cl)c1[O-] ZINC000903420112 619776048 /nfs/dbraw/zinc/77/60/48/619776048.db2.gz LYAIAKWTZZUEAR-AWEZNQCLSA-N 0 0 321.808 3.013 20 10 DGCDRN C[C@H]([NH2+]CCOC1CCSCC1)c1cc(F)cc(F)c1[O-] ZINC000903444810 619777885 /nfs/dbraw/zinc/77/78/85/619777885.db2.gz CLCSNKCWYMWOQS-JTQLQIEISA-N 0 0 317.401 3.233 20 10 DGCDRN CN(C)c1cc(F)c(CNc2nnc(C3CCC3)o2)cc1F ZINC000905428316 619998511 /nfs/dbraw/zinc/99/85/11/619998511.db2.gz KNBURVMWXWXTLD-UHFFFAOYSA-N 0 0 308.332 3.293 20 10 DGCDRN CCOc1ccc(CNc2nnc(C3CCCC3)o2)c(O)c1 ZINC000905428247 619998586 /nfs/dbraw/zinc/99/85/86/619998586.db2.gz UHYRMQNBEXSYAC-UHFFFAOYSA-N 0 0 303.362 3.444 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=S)NC2(C)CC2)cc1 ZINC000789176786 625388313 /nfs/dbraw/zinc/38/83/13/625388313.db2.gz CBGBJHSTGDHPAW-UHFFFAOYSA-N 0 0 305.491 3.392 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1(C2CC2)CCC1 ZINC000906854006 620124458 /nfs/dbraw/zinc/12/44/58/620124458.db2.gz FHNXJAXDAWOSGY-UHFFFAOYSA-N 0 0 300.402 3.058 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCC=CCCC1 ZINC000907274073 620146431 /nfs/dbraw/zinc/14/64/31/620146431.db2.gz OJTGVWDHGHFUKW-DZGCQCFKSA-N 0 0 303.402 3.282 20 10 DGCDRN CC[C@@H]1CCC[C@]1(C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000907276179 620146563 /nfs/dbraw/zinc/14/65/63/620146563.db2.gz ZTBKCDCYMNZBFK-DFHBCGBQSA-N 0 0 305.418 3.361 20 10 DGCDRN C[C@H](NC(=O)c1ccc(Cl)nc1F)c1ccc(N(C)C)cc1 ZINC000907493234 620158899 /nfs/dbraw/zinc/15/88/99/620158899.db2.gz PBWSQEBLVDIQLU-JTQLQIEISA-N 0 0 321.783 3.431 20 10 DGCDRN COc1ccc2c(c1)CCCN2CC(=O)NC1CCC(C)CC1 ZINC000027579547 620228408 /nfs/dbraw/zinc/22/84/08/620228408.db2.gz BHCUVBYKUPEEQM-UHFFFAOYSA-N 0 0 316.445 3.143 20 10 DGCDRN Cc1ccc([C@@H]2C[C@H]2C(=O)NCc2ccc(O)cc2O)cc1C ZINC000910943211 620319476 /nfs/dbraw/zinc/31/94/76/620319476.db2.gz KPSPPTDTJMXNOP-DLBZAZTESA-N 0 0 311.381 3.135 20 10 DGCDRN Cc1ccccc1C1(C(=O)NCc2ccc(O)cc2O)CCC1 ZINC000910947525 620319810 /nfs/dbraw/zinc/31/98/10/620319810.db2.gz GIXSUWMAZXJRNI-UHFFFAOYSA-N 0 0 311.381 3.144 20 10 DGCDRN O=C(CC1CC(c2ccccc2)C1)NCc1ccc(O)cc1O ZINC000910946112 620319926 /nfs/dbraw/zinc/31/99/26/620319926.db2.gz HVCMUPXXNKAXRG-UHFFFAOYSA-N 0 0 311.381 3.298 20 10 DGCDRN CCn1nc(C(=O)NCc2cc(Cl)ccc2O)cc1C1CC1 ZINC000911899307 620349994 /nfs/dbraw/zinc/34/99/94/620349994.db2.gz WAHDPOVDFMSKBH-UHFFFAOYSA-N 0 0 319.792 3.069 20 10 DGCDRN Cc1cc(C(=O)NN2CCCC[C@@H]2C)c(C)n1-c1ccccn1 ZINC000912154584 620370542 /nfs/dbraw/zinc/37/05/42/620370542.db2.gz LHXHJHFACHTMHF-ZDUSSCGKSA-N 0 0 312.417 3.008 20 10 DGCDRN Cc1ccc(CN2CCOCC2)cc1NCc1ccccc1O ZINC000151150877 620425188 /nfs/dbraw/zinc/42/51/88/620425188.db2.gz XSJCSXSJEVTYEN-UHFFFAOYSA-N 0 0 312.413 3.145 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2CCCCC2(C)C)c1 ZINC000151209203 620431013 /nfs/dbraw/zinc/43/10/13/620431013.db2.gz HVSHIPHVKQSNBT-OAHLLOKOSA-N 0 0 306.406 3.169 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCOCC23CCC3)cc1 ZINC000152333757 620501766 /nfs/dbraw/zinc/50/17/66/620501766.db2.gz VIIZCNVWPLHLIS-UHFFFAOYSA-N 0 0 324.424 3.489 20 10 DGCDRN C[C@@H](NCc1nncn1C)c1ccc(N2CCCCCC2)cc1 ZINC000152332439 620501812 /nfs/dbraw/zinc/50/18/12/620501812.db2.gz IXHRFYQLSOHQJD-OAHLLOKOSA-N 0 0 313.449 3.046 20 10 DGCDRN C[C@H](Cc1ccsc1)NC(=O)NCc1c(O)cccc1F ZINC000914313100 620519546 /nfs/dbraw/zinc/51/95/46/620519546.db2.gz PFRJQCVGJSHLMZ-SNVBAGLBSA-N 0 0 308.378 3.023 20 10 DGCDRN O=C(NCCCSc1nccs1)NC[C@@H]1CC=CCC1 ZINC000152830040 620525309 /nfs/dbraw/zinc/52/53/09/620525309.db2.gz WREHKBLUNMHVNE-GFCCVEGCSA-N 0 0 311.476 3.281 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCC[C@H]1CCCC1(F)F ZINC000914417948 620527843 /nfs/dbraw/zinc/52/78/43/620527843.db2.gz YCBHWUCKZJFMGI-FVOPLDGLSA-N 0 0 311.328 3.053 20 10 DGCDRN CCOc1ccc(O)c([C@@H]2NC(=O)c3ccc(Cl)cc3N2)c1 ZINC000914794932 620555685 /nfs/dbraw/zinc/55/56/85/620555685.db2.gz FSYWMCLTRMKCSF-HNNXBMFYSA-N 0 0 318.760 3.298 20 10 DGCDRN CC1CCN(c2nnc(Sc3nccs3)n2C2CC2)CC1 ZINC000914862334 620558213 /nfs/dbraw/zinc/55/82/13/620558213.db2.gz BOQURVNLZRMNFV-UHFFFAOYSA-N 0 0 321.475 3.457 20 10 DGCDRN c1cc(N(C[C@@H]2CCCO2)C[C@@H]2CCCO2)cc2c1CCC2 ZINC000914867438 620558510 /nfs/dbraw/zinc/55/85/10/620558510.db2.gz WFIYHTZKNGWMOT-OALUTQOASA-N 0 0 301.430 3.340 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000852564785 620629986 /nfs/dbraw/zinc/62/99/86/620629986.db2.gz SFTSZFFAZYCPDZ-RYRKJORJSA-N 0 0 315.461 3.330 20 10 DGCDRN C[C@@H](NC(=O)C=C1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000920881556 620826304 /nfs/dbraw/zinc/82/63/04/620826304.db2.gz FKRFETKDPXFWFX-OAHLLOKOSA-N 0 0 314.429 3.201 20 10 DGCDRN C[C@H](NC(=O)CC1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000920879868 620826328 /nfs/dbraw/zinc/82/63/28/620826328.db2.gz XAIJQSQMZVLXBF-HNNXBMFYSA-N 0 0 316.445 3.281 20 10 DGCDRN Cc1ccoc1CC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000854948257 620856781 /nfs/dbraw/zinc/85/67/81/620856781.db2.gz MTTMMUGIGUGPCC-HNNXBMFYSA-N 0 0 314.429 3.252 20 10 DGCDRN CC(C)(/C=C\Cl)NC(=O)NCCCSc1nccs1 ZINC000921447728 620857524 /nfs/dbraw/zinc/85/75/24/620857524.db2.gz QYHVJOLHHZPPOZ-PLNGDYQASA-N 0 0 319.883 3.456 20 10 DGCDRN CC(C)c1csc(CNC(=O)NCc2c(O)cccc2F)n1 ZINC000921501009 620874693 /nfs/dbraw/zinc/87/46/93/620874693.db2.gz ADYBFQUJLHLMEN-UHFFFAOYSA-N 0 0 323.393 3.111 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)C3(F)CCCCC3)C2)cc1 ZINC000855225294 620881654 /nfs/dbraw/zinc/88/16/54/620881654.db2.gz JNHAWYAYAJKJNQ-AWEZNQCLSA-N 0 0 320.408 3.063 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)C3=CC[C@@H](C)CC3)C2)cc1 ZINC000855226785 620881932 /nfs/dbraw/zinc/88/19/32/620881932.db2.gz UESRWFCGQDETGD-GDBMZVCRSA-N 0 0 314.429 3.137 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)/C=C/C3CCCC3)C2)cc1 ZINC000855226763 620881963 /nfs/dbraw/zinc/88/19/63/620881963.db2.gz UBHBACCCMREKQM-HKUPYCBJSA-N 0 0 314.429 3.137 20 10 DGCDRN CCC[C@H](C)CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855229226 620882262 /nfs/dbraw/zinc/88/22/62/620882262.db2.gz ITIVAIHTRBYVGO-GJZGRUSLSA-N 0 0 304.434 3.216 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)c3c(C)cccc3C)C2)cc1 ZINC000855232999 620882421 /nfs/dbraw/zinc/88/24/21/620882421.db2.gz DGKMIFAWFYYKPB-MRXNPFEDSA-N 0 0 324.424 3.321 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)C(C)(C)C)C2)cc1 ZINC000855232905 620882437 /nfs/dbraw/zinc/88/24/37/620882437.db2.gz ZKXIFJNRDQSQSX-ZIAGYGMSSA-N 0 0 304.434 3.072 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cc(C)cc(C)c3)C2)cc1 ZINC000855234660 620882675 /nfs/dbraw/zinc/88/26/75/620882675.db2.gz IKBMNBQTCSDDRO-QGZVFWFLSA-N 0 0 324.424 3.321 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(C)s3)C2)cc1 ZINC000855234967 620882751 /nfs/dbraw/zinc/88/27/51/620882751.db2.gz SDYHYNHQOJETDN-CYBMUJFWSA-N 0 0 316.426 3.074 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)c3cc(C)ccc3C)C2)cc1 ZINC000855234843 620882859 /nfs/dbraw/zinc/88/28/59/620882859.db2.gz ODRIPLXWPUKZFN-INIZCTEOSA-N 0 0 324.424 3.321 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)c3cc(C)cc(C)c3)C2)cc1 ZINC000855234659 620882992 /nfs/dbraw/zinc/88/29/92/620882992.db2.gz IKBMNBQTCSDDRO-KRWDZBQOSA-N 0 0 324.424 3.321 20 10 DGCDRN Cc1cnn(C)c1NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000855249997 620883924 /nfs/dbraw/zinc/88/39/24/620883924.db2.gz GMFXSLASMSQPEJ-UHFFFAOYSA-N 0 0 322.412 3.317 20 10 DGCDRN Cc1ccc(C(=O)N2CCC(c3ccco3)CC2)c(O)c1O ZINC000855291527 620887708 /nfs/dbraw/zinc/88/77/08/620887708.db2.gz JUVZTXJJRKCNRD-UHFFFAOYSA-N 0 0 301.342 3.019 20 10 DGCDRN Cc1ccc(CC2CN(C(=O)c3ccc(C)c(O)c3O)C2)cc1 ZINC000855863650 620944610 /nfs/dbraw/zinc/94/46/10/620944610.db2.gz BRRGZQQTHMSDEQ-UHFFFAOYSA-N 0 0 311.381 3.029 20 10 DGCDRN Cc1ccc2c(c1)[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@H](C)C2 ZINC000855903946 620947384 /nfs/dbraw/zinc/94/73/84/620947384.db2.gz IPDPTYKAHJUYSC-ARMZPNDTSA-N 0 0 323.392 3.469 20 10 DGCDRN Cc1cc(C(=O)NC2([C@H](C)O)CC2)c(C)n1-c1cccc(C)c1 ZINC000856130612 620963494 /nfs/dbraw/zinc/96/34/94/620963494.db2.gz GOWGTKDISMMLSM-HNNXBMFYSA-N 0 0 312.413 3.046 20 10 DGCDRN CCCC[C@@H](C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856213535 620972751 /nfs/dbraw/zinc/97/27/51/620972751.db2.gz POCHTNQLLIKXMI-OAHLLOKOSA-N 0 0 318.461 3.090 20 10 DGCDRN CC(C)(C)c1cc(C(=O)NCCCSc2nccs2)[nH]n1 ZINC000114376161 621003246 /nfs/dbraw/zinc/00/32/46/621003246.db2.gz FCJPDLJUTVMPIF-UHFFFAOYSA-N 0 0 324.475 3.076 20 10 DGCDRN C[C@H](Nc1cnc(Br)cn1)c1ccc(N(C)C)cc1 ZINC000856741968 621015137 /nfs/dbraw/zinc/01/51/37/621015137.db2.gz FYGGJDQDEUZORK-JTQLQIEISA-N 0 0 321.222 3.478 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2c(F)cccc2F)c1 ZINC000114565221 621015448 /nfs/dbraw/zinc/01/54/48/621015448.db2.gz UVUWWEBVBPMOPZ-UHFFFAOYSA-N 0 0 308.284 3.001 20 10 DGCDRN CCc1ccc(NC(=O)NCc2cc(OC)ccc2O)cc1 ZINC000114565442 621015506 /nfs/dbraw/zinc/01/55/06/621015506.db2.gz CDWDPKJDKXLACQ-UHFFFAOYSA-N 0 0 300.358 3.285 20 10 DGCDRN CCc1ccc(CNC(=O)NCc2cc(OC)ccc2O)s1 ZINC000114588548 621016557 /nfs/dbraw/zinc/01/65/57/621016557.db2.gz KCTPVQFGFRKZKR-UHFFFAOYSA-N 0 0 320.414 3.024 20 10 DGCDRN CCN(CC)c1ccc(CNCc2cn(C)nc2Cl)cc1F ZINC000856768749 621018328 /nfs/dbraw/zinc/01/83/28/621018328.db2.gz BDKKLMWPJRCHRX-UHFFFAOYSA-N 0 0 324.831 3.349 20 10 DGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]CC[C@H]2CC2(F)F)c1[O-] ZINC000856802833 621023510 /nfs/dbraw/zinc/02/35/10/621023510.db2.gz YZIUZSLHGLGWKT-QMMMGPOBSA-N 0 0 306.696 3.089 20 10 DGCDRN O=C(NCC[C@@H]1CC1(F)F)NCc1ccc(N2CCCC2)cc1 ZINC000856825869 621026883 /nfs/dbraw/zinc/02/68/83/621026883.db2.gz NJULKHAUJSMEKH-CQSZACIVSA-N 0 0 323.387 3.131 20 10 DGCDRN COc1cccc(O)c1CNCc1nc2c(s1)CCCC2 ZINC000922700662 621085243 /nfs/dbraw/zinc/08/52/43/621085243.db2.gz QCCBOGTTXRGRIO-UHFFFAOYSA-N 0 0 304.415 3.026 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)OCCC(C)C ZINC000115280977 621094491 /nfs/dbraw/zinc/09/44/91/621094491.db2.gz PDTIZFDTNRTMMA-HNNXBMFYSA-N 0 0 306.450 3.128 20 10 DGCDRN C[C@H](COc1ccccc1)C(=O)NCc1cc(Cl)ccc1O ZINC000857547701 621095060 /nfs/dbraw/zinc/09/50/60/621095060.db2.gz QFUCLEIYOFIEFW-GFCCVEGCSA-N 0 0 319.788 3.377 20 10 DGCDRN C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCS1 ZINC000922844442 621107498 /nfs/dbraw/zinc/10/74/98/621107498.db2.gz XFBSFTCEAOBCES-LDYMZIIASA-N 0 0 316.810 3.328 20 10 DGCDRN CCc1noc(CN(C)Cc2ccc(N(CC)CC)cc2)n1 ZINC000857757726 621118006 /nfs/dbraw/zinc/11/80/06/621118006.db2.gz RDZLYJHIOKJFGU-UHFFFAOYSA-N 0 0 302.422 3.110 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000922895690 621125377 /nfs/dbraw/zinc/12/53/77/621125377.db2.gz GEHDRYDLITXXTB-BZNIZROVSA-N 0 0 313.800 3.480 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1cc(F)cc(F)c1[O-] ZINC000756477262 621126092 /nfs/dbraw/zinc/12/60/92/621126092.db2.gz XDSFEVWLQLDOCG-PSLIRLAXSA-N 0 0 311.303 3.194 20 10 DGCDRN CCc1cccc(C[N@@H+]2CCc3nc(C(C)C)ncc3C2)c1O ZINC000857878005 621127075 /nfs/dbraw/zinc/12/70/75/621127075.db2.gz RKYLNMVUUMSUEE-UHFFFAOYSA-N 0 0 311.429 3.426 20 10 DGCDRN COc1ccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])c(C)c1OC ZINC000922966129 621138546 /nfs/dbraw/zinc/13/85/46/621138546.db2.gz GXCRWISMJPIXKT-UHFFFAOYSA-N 0 0 323.339 3.286 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H](C)Cc2cccs2)c1 ZINC000858135403 621156779 /nfs/dbraw/zinc/15/67/79/621156779.db2.gz UBUVRTGEKGJXPV-LBPRGKRZSA-N 0 0 304.415 3.193 20 10 DGCDRN C[C@H](NCc1cc(F)c(N(C)C)cc1F)c1cncc(F)c1 ZINC000858176219 621161554 /nfs/dbraw/zinc/16/15/54/621161554.db2.gz PYBFYVLGULEZFK-JTQLQIEISA-N 0 0 309.335 3.416 20 10 DGCDRN COc1ccc(F)c(CNCc2cc(F)c(N(C)C)cc2F)c1 ZINC000858196821 621163640 /nfs/dbraw/zinc/16/36/40/621163640.db2.gz ZHASXATWPMNTTR-UHFFFAOYSA-N 0 0 324.346 3.468 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2c3ccccc3C[C@H]2C)c1 ZINC000858212501 621165135 /nfs/dbraw/zinc/16/51/35/621165135.db2.gz VKFDKHULNCAQSE-ACJLOTCBSA-N 0 0 310.397 3.433 20 10 DGCDRN COCCC1(CNC(=O)NCc2cc(C)ccc2O)CCCC1 ZINC000858298926 621172892 /nfs/dbraw/zinc/17/28/92/621172892.db2.gz ZQBVGQHBQQMAQS-UHFFFAOYSA-N 0 0 320.433 3.097 20 10 DGCDRN COc1ccc(CNC(=O)NCc2cc(C)ccc2O)c(C)c1 ZINC000858302896 621173228 /nfs/dbraw/zinc/17/32/28/621173228.db2.gz MRVYSSKHHLXMOB-UHFFFAOYSA-N 0 0 314.385 3.017 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)c1 ZINC000858305212 621173702 /nfs/dbraw/zinc/17/37/02/621173702.db2.gz SJLMZIRLHLUTOP-ZHALLVOQSA-N 0 0 322.408 3.086 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N(C)C(C)C)cc1 ZINC000858336569 621177473 /nfs/dbraw/zinc/17/74/73/621177473.db2.gz MBJHMSQWTPJOKO-UHFFFAOYSA-N 0 0 312.413 3.316 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCC2(C)Cc3ccccc3C2)c1 ZINC000858338044 621178062 /nfs/dbraw/zinc/17/80/62/621178062.db2.gz AQSPLPAXNJNJNG-UHFFFAOYSA-N 0 0 324.424 3.305 20 10 DGCDRN CC[C@@H](CC(F)(F)F)NC(=O)NCc1cc(C)ccc1O ZINC000858362047 621181290 /nfs/dbraw/zinc/18/12/90/621181290.db2.gz LYFJWEOEPGGDDT-NSHDSACASA-N 0 0 304.312 3.231 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCC(C)(C)C(F)(F)F)c1 ZINC000858430208 621189966 /nfs/dbraw/zinc/18/99/66/621189966.db2.gz QATBEWLVWIKQHB-UHFFFAOYSA-N 0 0 304.312 3.088 20 10 DGCDRN Cc1cccc(O)c1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000858452625 621192755 /nfs/dbraw/zinc/19/27/55/621192755.db2.gz NFTCTXDXGLTGEY-UHFFFAOYSA-N 0 0 310.397 3.231 20 10 DGCDRN CCC[C@H](C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-])OCC ZINC000858450693 621192854 /nfs/dbraw/zinc/19/28/54/621192854.db2.gz HOISJGDTOXDDGY-TZMCWYRMSA-N 0 0 309.406 3.035 20 10 DGCDRN COc1cccnc1N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000858467853 621194371 /nfs/dbraw/zinc/19/43/71/621194371.db2.gz WEKGLJXUPLVGTC-UHFFFAOYSA-N 0 0 301.777 3.432 20 10 DGCDRN CC[C@@H]([NH2+][C@H]1CC=C(C(=O)OC)C1)c1cccc(Cl)c1[O-] ZINC000858471149 621194885 /nfs/dbraw/zinc/19/48/85/621194885.db2.gz BMZVUXAIWIOJML-SMDDNHRTSA-N 0 0 309.793 3.348 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1cc(F)cc(F)c1[O-] ZINC000858479077 621196228 /nfs/dbraw/zinc/19/62/28/621196228.db2.gz IFBSTKXROTUVLQ-ONGXEEELSA-N 0 0 320.330 3.051 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000858531323 621202100 /nfs/dbraw/zinc/20/21/00/621202100.db2.gz DKSIKNPMKOAAHE-FZMZJTMJSA-N 0 0 310.388 3.338 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNc3ncccc3OC)C2)cc1 ZINC000858582183 621206536 /nfs/dbraw/zinc/20/65/36/621206536.db2.gz NXVFYQNQWHEZPT-AWEZNQCLSA-N 0 0 313.401 3.037 20 10 DGCDRN CCC[C@H](OCC)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000858604447 621209087 /nfs/dbraw/zinc/20/90/87/621209087.db2.gz GTGZPUTZTOKDLG-KRWDZBQOSA-N 0 0 306.450 3.354 20 10 DGCDRN COc1cccc(COC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000858883808 621228322 /nfs/dbraw/zinc/22/83/22/621228322.db2.gz WFXUZCIGYCRBHQ-UHFFFAOYSA-N 0 0 314.385 3.188 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)c1ccns1 ZINC000858961964 621234875 /nfs/dbraw/zinc/23/48/75/621234875.db2.gz JHJYOKVKFJTQJR-GFCCVEGCSA-N 0 0 318.446 3.078 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@]1(C)CC=CCC1 ZINC000838477667 621258405 /nfs/dbraw/zinc/25/84/05/621258405.db2.gz GKHPCYBASDQAJM-GOSISDBHSA-N 0 0 301.434 3.359 20 10 DGCDRN C[C@]1(NC(=O)NCCCSc2nccs2)CC=CCC1 ZINC000838515587 621261667 /nfs/dbraw/zinc/26/16/67/621261667.db2.gz XNVLGINIOOFJOK-AWEZNQCLSA-N 0 0 311.476 3.423 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@](C)(CC)OC ZINC000838662089 621270563 /nfs/dbraw/zinc/27/05/63/621270563.db2.gz ZJCJDFUWUIKCJY-KRWDZBQOSA-N 0 0 308.422 3.129 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC1CCC(OC)CC1 ZINC000838758021 621275515 /nfs/dbraw/zinc/27/55/15/621275515.db2.gz JJONTRIVCQTSJU-UHFFFAOYSA-N 0 0 320.433 3.271 20 10 DGCDRN CN(Cc1ccc(-n2ccnc2)cc1)c1ccc2c(c1)OCO2 ZINC000121345576 621279239 /nfs/dbraw/zinc/27/92/39/621279239.db2.gz HGWOZFLQEPOCGI-UHFFFAOYSA-N 0 0 307.353 3.237 20 10 DGCDRN COCc1cc(CN2CCCc3cc(OC(F)F)ccc32)no1 ZINC000839012099 621314993 /nfs/dbraw/zinc/31/49/93/621314993.db2.gz XEOYUUOQPWGDBW-UHFFFAOYSA-N 0 0 324.327 3.375 20 10 DGCDRN CNc1ccc(NC(=O)NCCCSc2nccs2)cc1 ZINC000859741871 621316831 /nfs/dbraw/zinc/31/68/31/621316831.db2.gz MPRNXXJZRVWWIV-UHFFFAOYSA-N 0 0 322.459 3.489 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2cccnc2[nH]1 ZINC000839472959 621379067 /nfs/dbraw/zinc/37/90/67/621379067.db2.gz AEBNIVWCBYOGFM-UHFFFAOYSA-N 0 0 322.412 3.291 20 10 DGCDRN O=C(NCc1ccccc1O)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12 ZINC000860233696 621385079 /nfs/dbraw/zinc/38/50/79/621385079.db2.gz NXRYDHVZYYEXCK-USXIJHARSA-N 0 0 313.784 3.248 20 10 DGCDRN COc1cccc(CNC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)c1O ZINC000860241262 621385867 /nfs/dbraw/zinc/38/58/67/621385867.db2.gz QCOUFHDYOSAUPP-JKSUJKDBSA-N 0 0 311.381 3.129 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)c1 ZINC000860240833 621385903 /nfs/dbraw/zinc/38/59/03/621385903.db2.gz DNCVTYQQPGABTF-DLBZAZTESA-N 0 0 311.381 3.129 20 10 DGCDRN CC(C)(C)CNC(=O)NCc1cc(Br)ccc1O ZINC000804977328 621391730 /nfs/dbraw/zinc/39/17/30/621391730.db2.gz UXMXEBOMXDCYHO-UHFFFAOYSA-N 0 0 315.211 3.000 20 10 DGCDRN C[C@H](NC(=O)N1CCSC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000753203861 621430715 /nfs/dbraw/zinc/43/07/15/621430715.db2.gz KWRSAGBFDZHDQS-KBPBESRZSA-N 0 0 321.490 3.208 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CC(F)C2)ccc1C ZINC000860754878 621440188 /nfs/dbraw/zinc/44/01/88/621440188.db2.gz RUEGNPYDNHEQRS-UHFFFAOYSA-N 0 0 314.360 3.009 20 10 DGCDRN COCC[C@H](Cc1ccco1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000753567567 621449215 /nfs/dbraw/zinc/44/92/15/621449215.db2.gz AVZXHWXHOSIJRX-CYBMUJFWSA-N 0 0 309.793 3.376 20 10 DGCDRN Cc1c(NC(=O)NCc2cc(C)ccc2O)cnn1CC(C)C ZINC000860846413 621449380 /nfs/dbraw/zinc/44/93/80/621449380.db2.gz RBHCBGIMURLECI-UHFFFAOYSA-N 0 0 316.405 3.183 20 10 DGCDRN CCc1nc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)co1 ZINC000753654298 621458003 /nfs/dbraw/zinc/45/80/03/621458003.db2.gz OFQKKZYWNZLEQN-UHFFFAOYSA-N 0 0 315.417 3.354 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccnn2[C@@H](C)C2CC2)c1 ZINC000860966029 621463454 /nfs/dbraw/zinc/46/34/54/621463454.db2.gz FMDCKQKSVULJNO-LBPRGKRZSA-N 0 0 314.389 3.190 20 10 DGCDRN COCCN(CC[C@H]1CCCCO1)c1ccc(OC)c(OC)c1 ZINC000754065014 621484279 /nfs/dbraw/zinc/48/42/79/621484279.db2.gz HOIIYJANXHCJFO-MRXNPFEDSA-N 0 0 323.433 3.116 20 10 DGCDRN Cc1cc(F)c(C(=O)COC(=O)C2=CC(=O)CS2)cc1F ZINC000754097173 621486969 /nfs/dbraw/zinc/48/69/69/621486969.db2.gz ZIBULZZJOSJZKP-UHFFFAOYSA-N 0 0 312.293 3.080 20 10 DGCDRN Cc1ccc(/C=C\C(=O)NCc2ccc(N(C)C)cc2C)cn1 ZINC000754271992 621500289 /nfs/dbraw/zinc/50/02/89/621500289.db2.gz WIHHHNREXINLLL-YFHOEESVSA-N 0 0 309.413 3.094 20 10 DGCDRN COc1cc(CN2C[C@H]3CC[C@@H](C2)O3)c(O)c(C(C)(C)C)c1 ZINC000754736424 621529544 /nfs/dbraw/zinc/52/95/44/621529544.db2.gz KGTQIVBBAKTTKU-OKILXGFUSA-N 0 0 305.418 3.062 20 10 DGCDRN C[C@H]1CN(C(=O)C2=CC(=O)CS2)[C@H](c2ccccc2)CO1 ZINC000754907759 621540658 /nfs/dbraw/zinc/54/06/58/621540658.db2.gz PCOFYEPJLPPLKY-FZMZJTMJSA-N 0 0 303.383 3.056 20 10 DGCDRN CCC1CN(C(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)C1 ZINC000861943393 621547526 /nfs/dbraw/zinc/54/75/26/621547526.db2.gz FXVNLDKHURJHCX-UHFFFAOYSA-N 0 0 324.424 3.318 20 10 DGCDRN CCC[C@H](OCC)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000862002696 621549925 /nfs/dbraw/zinc/54/99/25/621549925.db2.gz VPSFOSGVELFPLM-YJBOKZPZSA-N 0 0 320.477 3.313 20 10 DGCDRN CCO[C@H](C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)C(C)C ZINC000862002516 621549956 /nfs/dbraw/zinc/54/99/56/621549956.db2.gz UBBTUSGNHNIJKA-QAPCUYQASA-N 0 0 320.477 3.169 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)C[C@@H]2CCCCO2)cc1 ZINC000755085315 621550808 /nfs/dbraw/zinc/55/08/08/621550808.db2.gz ROOQTOZTUFCPGG-SFHVURJKSA-N 0 0 318.461 3.450 20 10 DGCDRN CS[C@H](C)CCC(=O)NCc1ccc2cccnc2c1O ZINC000862027480 621551066 /nfs/dbraw/zinc/55/10/66/621551066.db2.gz UHMSFWUAELNQIY-LLVKDONJSA-N 0 0 304.415 3.088 20 10 DGCDRN CCCC[C@](C)(F)C(=O)NCc1ccc2cccnc2c1O ZINC000862025223 621551161 /nfs/dbraw/zinc/55/11/61/621551161.db2.gz PBTADKBZRLWMHE-KRWDZBQOSA-N 0 0 304.365 3.475 20 10 DGCDRN C[C@H](CC(=O)NCc1ccc2cccnc2c1O)C(F)(F)F ZINC000862025405 621551264 /nfs/dbraw/zinc/55/12/64/621551264.db2.gz MTAHBKHXWVSMCP-SECBINFHSA-N 0 0 312.291 3.145 20 10 DGCDRN CCO[C@H](CC(=O)NCc1ccc2cccnc2c1O)C(C)C ZINC000862027228 621551286 /nfs/dbraw/zinc/55/12/86/621551286.db2.gz NKTWCGCDOSJNMK-OAHLLOKOSA-N 0 0 316.401 3.008 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2CC23CC3)c1 ZINC000862036554 621551500 /nfs/dbraw/zinc/55/15/00/621551500.db2.gz ZEGPDHURVVSRMT-QGZVFWFLSA-N 0 0 308.381 3.189 20 10 DGCDRN CC[C@H]1CCN(C(=O)NCc2ccc(N(CC)CC)cc2)C1 ZINC000755126571 621553710 /nfs/dbraw/zinc/55/37/10/621553710.db2.gz JJBMHVKDSLJSTC-HNNXBMFYSA-N 0 0 303.450 3.474 20 10 DGCDRN O=C(NCCC1CCC1)NCc1c(O)ccc2c1CCCC2 ZINC000755267594 621562367 /nfs/dbraw/zinc/56/23/67/621562367.db2.gz HPSPWYWGOQPDFS-UHFFFAOYSA-N 0 0 302.418 3.260 20 10 DGCDRN Cc1ccc(CN(C)Cc2cc(F)c(N(C)C)cc2F)nc1 ZINC000862339759 621575415 /nfs/dbraw/zinc/57/54/15/621575415.db2.gz GOPAIMHEVDECBE-UHFFFAOYSA-N 0 0 305.372 3.366 20 10 DGCDRN CCc1cccc(CN[C@H](c2cnn(C)c2)C(F)(F)F)c1O ZINC000862365269 621579469 /nfs/dbraw/zinc/57/94/69/621579469.db2.gz NZUCMWYUPCRXEZ-CQSZACIVSA-N 0 0 313.323 3.081 20 10 DGCDRN CN(C)c1cc(F)c(CN(C)Cc2ccc(O)cc2)cc1F ZINC000862367278 621579557 /nfs/dbraw/zinc/57/95/57/621579557.db2.gz BRRKFBULWKTAMW-UHFFFAOYSA-N 0 0 306.356 3.368 20 10 DGCDRN CN(C)c1cc(F)c(CN2C[C@@H](CO)c3ccccc32)cc1F ZINC000862377527 621581729 /nfs/dbraw/zinc/58/17/29/621581729.db2.gz SCARDYAROWGNIF-ZDUSSCGKSA-N 0 0 318.367 3.127 20 10 DGCDRN FC(F)(F)[C@H](NCc1ccc2c(c1)CCO2)c1nccs1 ZINC000862431581 621588678 /nfs/dbraw/zinc/58/86/78/621588678.db2.gz KWMUAAPVHINVHC-GFCCVEGCSA-N 0 0 314.332 3.471 20 10 DGCDRN CN(C)c1cc(F)c(CN2Cc3ccc(O)cc3C2)cc1F ZINC000862452808 621591506 /nfs/dbraw/zinc/59/15/06/621591506.db2.gz ZRITZAYHXNLDAV-UHFFFAOYSA-N 0 0 304.340 3.252 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CCCN1CC(F)F ZINC000862468859 621592920 /nfs/dbraw/zinc/59/29/20/621592920.db2.gz QIWXEDKWRNSMGJ-LLVKDONJSA-N 0 0 322.758 3.004 20 10 DGCDRN COCc1ccc(NCc2cc(OC)ccc2O)cc1OC ZINC000862537128 621598302 /nfs/dbraw/zinc/59/83/02/621598302.db2.gz SVDMEIISPFRTKZ-UHFFFAOYSA-N 0 0 303.358 3.168 20 10 DGCDRN CC[C@@H](CCO)NC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000755989362 621608222 /nfs/dbraw/zinc/60/82/22/621608222.db2.gz JDKNGVHJUZPBGQ-INIZCTEOSA-N 0 0 314.429 3.293 20 10 DGCDRN CCCCn1ncc(C(=O)NCc2cc(C)ccc2O)c1CC ZINC000862757525 621613649 /nfs/dbraw/zinc/61/36/49/621613649.db2.gz XDHWMKIOMDKAFI-UHFFFAOYSA-N 0 0 315.417 3.190 20 10 DGCDRN CCC(CC)n1nc(C(=O)NCc2cc(C)ccc2O)cc1C ZINC000862757102 621613665 /nfs/dbraw/zinc/61/36/65/621613665.db2.gz HPPFYXFCTPUTKU-UHFFFAOYSA-N 0 0 315.417 3.497 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@H](C)OCc2ccc(F)cc2)c1 ZINC000862755467 621613987 /nfs/dbraw/zinc/61/39/87/621613987.db2.gz SVRLDYFZYPHSBX-ZDUSSCGKSA-N 0 0 317.360 3.061 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CCCc3sccc32)c1 ZINC000862758456 621614207 /nfs/dbraw/zinc/61/42/07/621614207.db2.gz ZTWJJIMGEQNMKO-AWEZNQCLSA-N 0 0 301.411 3.498 20 10 DGCDRN Cc1nc(CCCC(=O)NCc2cc(C)ccc2O)cs1 ZINC000862758003 621614258 /nfs/dbraw/zinc/61/42/58/621614258.db2.gz LKJYAABNLXCNRJ-UHFFFAOYSA-N 0 0 304.415 3.105 20 10 DGCDRN Cc1ccc(C(=O)CCC(=O)NCc2cc(C)ccc2O)cc1 ZINC000862761094 621614637 /nfs/dbraw/zinc/61/46/37/621614637.db2.gz DEJDCFWAFMYMKF-UHFFFAOYSA-N 0 0 311.381 3.288 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2c(Cl)n(C)nc2C(C)C)c1 ZINC000862760225 621614686 /nfs/dbraw/zinc/61/46/86/621614686.db2.gz NZGUXXNVYRBDSF-UHFFFAOYSA-N 0 0 321.808 3.141 20 10 DGCDRN CC(C)CSCCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000756114195 621615851 /nfs/dbraw/zinc/61/58/51/621615851.db2.gz OHYFMZKATGBXQR-UHFFFAOYSA-N 0 0 323.506 3.283 20 10 DGCDRN Cc1cc(CC(=O)N2CC3(C2)CCCO3)c(C)n1-c1ccccc1 ZINC000862821991 621620501 /nfs/dbraw/zinc/62/05/01/621620501.db2.gz KOVBSEGCJZZKEY-UHFFFAOYSA-N 0 0 324.424 3.028 20 10 DGCDRN CC[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)CC(=O)[O-] ZINC000756307447 621626799 /nfs/dbraw/zinc/62/67/99/621626799.db2.gz HPNUTIGYJOTHRT-HNNXBMFYSA-N 0 0 304.434 3.267 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](Cc1ccccc1)N(C)C)c1ccc(F)cc1[O-] ZINC000756340347 621629171 /nfs/dbraw/zinc/62/91/71/621629171.db2.gz DWWUSEKJJQTFQI-WMLDXEAASA-N 0 0 316.420 3.355 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(F)cc2)c1 ZINC000756339613 621629334 /nfs/dbraw/zinc/62/93/34/621629334.db2.gz DFGINXNJMKBTOT-LLVKDONJSA-N 0 0 303.333 3.169 20 10 DGCDRN COC[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756343403 621629738 /nfs/dbraw/zinc/62/97/38/621629738.db2.gz YTFOSITWSBKGNJ-JGVFFNPUSA-N 0 0 322.630 3.494 20 10 DGCDRN COc1ccc([C@H](O)C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756381541 621633502 /nfs/dbraw/zinc/63/35/02/621633502.db2.gz MSIXEYXREKCAQW-MGPLVRAMSA-N 0 0 323.339 3.063 20 10 DGCDRN CC(C)[C@@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])N1CCCC1 ZINC000756398186 621635456 /nfs/dbraw/zinc/63/54/56/621635456.db2.gz CUJBYOIOEBKIDN-MLGOLLRUSA-N 0 0 312.404 3.441 20 10 DGCDRN CC(C)C[C@@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])N(C)C ZINC000756400005 621635525 /nfs/dbraw/zinc/63/55/25/621635525.db2.gz SMDNPDMJRKSLTI-YPMHNXCESA-N 0 0 300.393 3.297 20 10 DGCDRN CC(C)[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])N1CCCC1 ZINC000756398183 621635574 /nfs/dbraw/zinc/63/55/74/621635574.db2.gz CUJBYOIOEBKIDN-LRDDRELGSA-N 0 0 312.404 3.441 20 10 DGCDRN C[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@@H](C)C1 ZINC000756413089 621636803 /nfs/dbraw/zinc/63/68/03/621636803.db2.gz XPEOPVFXNUCGNP-MCIONIFRSA-N 0 0 321.421 3.071 20 10 DGCDRN C[C@@H]([NH2+]CCOc1cccc(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756447401 621639011 /nfs/dbraw/zinc/63/90/11/621639011.db2.gz VWQWAZQBOVVNNK-LLVKDONJSA-N 0 0 320.320 3.169 20 10 DGCDRN C[C@@H](CN1CCC[C@@H](C)C1)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756459362 621639710 /nfs/dbraw/zinc/63/97/10/621639710.db2.gz NUBAJRJCQPNBQC-RDBSUJKOSA-N 0 0 321.421 3.071 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)c1cc(F)cc(F)c1[O-] ZINC000756455709 621639741 /nfs/dbraw/zinc/63/97/41/621639741.db2.gz ASAMIKGOIRVRID-BJOHPYRUSA-N 0 0 311.303 3.194 20 10 DGCDRN C[C@H]([NH2+]Cc1cccc2c1OCO2)c1cc(F)cc(F)c1[O-] ZINC000756462844 621640005 /nfs/dbraw/zinc/64/00/05/621640005.db2.gz YFZCRBXZPKGNTI-VIFPVBQESA-N 0 0 307.296 3.250 20 10 DGCDRN COC[C@H](C)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756464860 621640133 /nfs/dbraw/zinc/64/01/33/621640133.db2.gz IATSZCWWORVZES-BDAKNGLRSA-N 0 0 320.202 3.227 20 10 DGCDRN C[C@@H](COc1ccccc1)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756495504 621642067 /nfs/dbraw/zinc/64/20/67/621642067.db2.gz RVZHMIMCEQUEIV-STQMWFEESA-N 0 0 316.357 3.419 20 10 DGCDRN Cc1cc(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c(C)n1-c1ccccc1 ZINC000863163408 621644331 /nfs/dbraw/zinc/64/43/31/621644331.db2.gz BHUPLISENNXKMW-QRVBRYPASA-N 0 0 324.424 3.278 20 10 DGCDRN Cc1cc(CNC(=O)COC(C)C)c(C)n1-c1ccccc1 ZINC000863165357 621644481 /nfs/dbraw/zinc/64/44/81/621644481.db2.gz VFULPYBNBYAPHS-UHFFFAOYSA-N 0 0 300.402 3.135 20 10 DGCDRN COCCCC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000863166012 621644485 /nfs/dbraw/zinc/64/44/85/621644485.db2.gz ISQBXSGNYUOXTR-UHFFFAOYSA-N 0 0 300.402 3.137 20 10 DGCDRN CS[C@@H](C)C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000863166493 621644558 /nfs/dbraw/zinc/64/45/58/621644558.db2.gz VHCXWYWKCWMEGZ-AWEZNQCLSA-N 0 0 302.443 3.462 20 10 DGCDRN CCn1nccc1C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000863165858 621644668 /nfs/dbraw/zinc/64/46/68/621644668.db2.gz OYPSOHMMNIXROQ-UHFFFAOYSA-N 0 0 322.412 3.241 20 10 DGCDRN Cc1csc([C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000756537103 621646095 /nfs/dbraw/zinc/64/60/95/621646095.db2.gz VWKCQFGJZKYOAV-NXEZZACHSA-N 0 0 307.375 3.477 20 10 DGCDRN C[C@H]([NH2+]CCN1[C@H](C)CCC[C@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756555696 621647628 /nfs/dbraw/zinc/64/76/28/621647628.db2.gz UVHLGHRHYCDPEM-MCIONIFRSA-N 0 0 321.421 3.214 20 10 DGCDRN Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756585326 621651091 /nfs/dbraw/zinc/65/10/91/621651091.db2.gz JNPLAAWIJWQUGM-BONVTDFDSA-N 0 0 301.365 3.358 20 10 DGCDRN Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756586438 621651123 /nfs/dbraw/zinc/65/11/23/621651123.db2.gz RRWDAFSPYDYNGS-VFZGTOFNSA-N 0 0 319.355 3.497 20 10 DGCDRN CC(C)CC[C@](C)(O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756604175 621652311 /nfs/dbraw/zinc/65/23/11/621652311.db2.gz MEGVKTDWLNXGEI-WBMJQRKESA-N 0 0 310.394 3.138 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C1CCOCC1 ZINC000756627892 621653568 /nfs/dbraw/zinc/65/35/68/621653568.db2.gz IUSNFQABUHQUKL-XHDPSFHLSA-N 0 0 308.378 3.156 20 10 DGCDRN CC(C)C[C@@H](CCO)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756624901 621653573 /nfs/dbraw/zinc/65/35/73/621653573.db2.gz HGOFDJFZZMWOQJ-NWDGAFQWSA-N 0 0 301.377 3.366 20 10 DGCDRN CCO[C@@H](CC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-])C(C)C ZINC000756629307 621654094 /nfs/dbraw/zinc/65/40/94/621654094.db2.gz PFVMLLKYOBTXKG-DYVFJYSZSA-N 0 0 323.433 3.281 20 10 DGCDRN CC[C@H]([NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-])C1CCOCC1 ZINC000756628516 621654098 /nfs/dbraw/zinc/65/40/98/621654098.db2.gz NKSOGWOSFKRRDD-WBMJQRKESA-N 0 0 321.417 3.035 20 10 DGCDRN CN(CC(=O)Nc1cccc(Cl)c1)c1ccc2c(c1)OCO2 ZINC000756646252 621655908 /nfs/dbraw/zinc/65/59/08/621655908.db2.gz TXJGHTDCMXKERB-UHFFFAOYSA-N 0 0 318.760 3.144 20 10 DGCDRN COc1ncc(CN(C)c2ccc3c(c2)OCO3)cc1Cl ZINC000756654019 621656029 /nfs/dbraw/zinc/65/60/29/621656029.db2.gz ANOUYGVVSKVWOZ-UHFFFAOYSA-N 0 0 306.749 3.109 20 10 DGCDRN Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756674933 621658462 /nfs/dbraw/zinc/65/84/62/621658462.db2.gz DOHVXYLZDKJKSN-NWDGAFQWSA-N 0 0 301.346 3.416 20 10 DGCDRN C[C@H]([NH2+]Cc1cccc2c1OCCO2)c1cc(F)cc(F)c1[O-] ZINC000756703097 621659213 /nfs/dbraw/zinc/65/92/13/621659213.db2.gz FINVJJVOCOHRLK-JTQLQIEISA-N 0 0 321.323 3.292 20 10 DGCDRN C[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])Oc1ccccc1 ZINC000756707394 621659447 /nfs/dbraw/zinc/65/94/47/621659447.db2.gz YLIDUOAFQFJXCD-STQMWFEESA-N 0 0 316.357 3.419 20 10 DGCDRN C[C@H](c1ccccc1)[C@@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756713053 621659691 /nfs/dbraw/zinc/65/96/91/621659691.db2.gz SPVADNMRZFGIIX-BWACUDIHSA-N 0 0 321.367 3.486 20 10 DGCDRN C[C@H]([NH2+][C@H](CO)[C@@H](C)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756713055 621659975 /nfs/dbraw/zinc/65/99/75/621659975.db2.gz SPVADNMRZFGIIX-NVGCLXPQSA-N 0 0 321.367 3.486 20 10 DGCDRN CC(C)(C)OC(=O)N1CC(CCSc2nccs2)C1 ZINC000863295294 621660631 /nfs/dbraw/zinc/66/06/31/621660631.db2.gz PKMVXJREEQHYJD-UHFFFAOYSA-N 0 0 300.449 3.492 20 10 DGCDRN Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756735693 621661768 /nfs/dbraw/zinc/66/17/68/621661768.db2.gz GYTCIEMOMLXBQD-TVQRCGJNSA-N 0 0 313.369 3.425 20 10 DGCDRN CC(C)[C@H]1OCCC[C@H]1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756736365 621661938 /nfs/dbraw/zinc/66/19/38/621661938.db2.gz MZBOTCYMNMUVDP-GDZNZVCISA-N 0 0 322.405 3.402 20 10 DGCDRN COc1ccc2c(c1)OC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])C2 ZINC000756774580 621663726 /nfs/dbraw/zinc/66/37/26/621663726.db2.gz KBKWPFHDYNPMJO-RISCZKNCSA-N 0 0 317.360 3.194 20 10 DGCDRN CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1(C)C ZINC000756788831 621664983 /nfs/dbraw/zinc/66/49/83/621664983.db2.gz DBHIUPVRDSPCRE-XEQNPHJVSA-N 0 0 308.378 3.011 20 10 DGCDRN C[C@@H]([NH2+][C@H](C)C(C)(C)O)c1cc(Br)c(F)cc1[O-] ZINC000756820568 621666788 /nfs/dbraw/zinc/66/67/88/621666788.db2.gz YHHUJONALKALBM-HTQZYQBOSA-N 0 0 320.202 3.104 20 10 DGCDRN C[C@H](Nc1ccc(N(C)CCO)cn1)c1cc(Cl)ccc1O ZINC000756846601 621668351 /nfs/dbraw/zinc/66/83/51/621668351.db2.gz VQKBFNZKAHHPLH-NSHDSACASA-N 0 0 321.808 3.042 20 10 DGCDRN COc1ccc(O)c([C@H](C)Nc2cnn(-c3ccccn3)c2)c1 ZINC000756856840 621668605 /nfs/dbraw/zinc/66/86/05/621668605.db2.gz LRBLGLIBFKEQMX-LBPRGKRZSA-N 0 0 310.357 3.155 20 10 DGCDRN C[C@@H](Nc1cccc2c1oc(=O)n2C)c1cc(F)cc(F)c1O ZINC000756857981 621669082 /nfs/dbraw/zinc/66/90/82/621669082.db2.gz ZKROGFFUKZGMPY-MRVPVSSYSA-N 0 0 320.295 3.288 20 10 DGCDRN Cc1cc(CN2C(=O)NC3(CCC3)C2=O)c(C)n1-c1ccccc1 ZINC000863533048 621681215 /nfs/dbraw/zinc/68/12/15/621681215.db2.gz UMXXHOPZWRKEAI-UHFFFAOYSA-N 0 0 323.396 3.069 20 10 DGCDRN Cc1ccc([C@@H](C)NC(=O)CN(C)c2ccc(N)cc2)cc1C ZINC000863557498 621683540 /nfs/dbraw/zinc/68/35/40/621683540.db2.gz PMFNTEMCQXOBPP-OAHLLOKOSA-N 0 0 311.429 3.199 20 10 DGCDRN CC(C)CNC(=O)c1cccc(CN(C)c2ccc(N)cc2)c1 ZINC000863558020 621683643 /nfs/dbraw/zinc/68/36/43/621683643.db2.gz ZOAZGFYYRZQBQE-UHFFFAOYSA-N 0 0 311.429 3.291 20 10 DGCDRN C[C@H](NCc1nc2ccccc2c(=O)[nH]1)c1ccc(N(C)C)cc1 ZINC000839562890 621697206 /nfs/dbraw/zinc/69/72/06/621697206.db2.gz DXQCTMVMTMKKIS-ZDUSSCGKSA-N 0 0 322.412 3.252 20 10 DGCDRN COc1cc2c(c(OC)c1)N(Cc1scnc1C)CCC2 ZINC000839656382 621704223 /nfs/dbraw/zinc/70/42/23/621704223.db2.gz ZPZQDZMNVBOWTC-UHFFFAOYSA-N 0 0 304.415 3.422 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1F ZINC000863739239 621705905 /nfs/dbraw/zinc/70/59/05/621705905.db2.gz JMFIKRRARSGYCG-ZFWWWQNUSA-N 0 0 322.424 3.215 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccnc(SC)c2)c1 ZINC000103529400 621712272 /nfs/dbraw/zinc/71/22/72/621712272.db2.gz PTZNSQDLGKBNPT-SNVBAGLBSA-N 0 0 318.398 3.009 20 10 DGCDRN CCC(F)(F)C(C)(C)CNC(=O)c1c(F)ccc(O)c1O ZINC000863939516 621719883 /nfs/dbraw/zinc/71/98/83/621719883.db2.gz BKCYPGMJNHPXPE-UHFFFAOYSA-N 0 0 305.296 3.038 20 10 DGCDRN CN(C)c1cc(F)c(CNc2ccc3[nH]c(=O)[nH]c3c2)cc1F ZINC000863989784 621725084 /nfs/dbraw/zinc/72/50/84/621725084.db2.gz ZDFZPTWUIDPZNI-UHFFFAOYSA-N 0 0 318.327 3.225 20 10 DGCDRN CN(C)c1ccc(CNc2cc(C(N)=O)ccc2Cl)cc1F ZINC000863995924 621725310 /nfs/dbraw/zinc/72/53/10/621725310.db2.gz HLTUSJJDXYREQC-UHFFFAOYSA-N 0 0 321.783 3.256 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1cccc2c1CCOC2 ZINC000864015926 621727543 /nfs/dbraw/zinc/72/75/43/621727543.db2.gz MVSHQXUTVMFJBL-UHFFFAOYSA-N 0 0 324.424 3.224 20 10 DGCDRN CC(=O)NCc1ccc(N[C@@H](C)c2cc(F)cc(F)c2O)cc1 ZINC000757605187 621727878 /nfs/dbraw/zinc/72/78/78/621727878.db2.gz UNIMBVRGWJJAOT-JTQLQIEISA-N 0 0 320.339 3.480 20 10 DGCDRN C[NH+](C)CCc1ccc(NCc2ccc(F)c(F)c2[O-])cc1 ZINC000864029100 621729230 /nfs/dbraw/zinc/72/92/30/621729230.db2.gz YMRSMHJCLYEQAO-UHFFFAOYSA-N 0 0 306.356 3.387 20 10 DGCDRN [O-]c1c(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)ccc(F)c1F ZINC000864049347 621731816 /nfs/dbraw/zinc/73/18/16/621731816.db2.gz FVZKLUZQGVXPEB-SWLSCSKDSA-N 0 0 311.372 3.452 20 10 DGCDRN CN(C)c1ccc(OCC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000757705198 621734540 /nfs/dbraw/zinc/73/45/40/621734540.db2.gz QXYLVFLTLSWMEL-UHFFFAOYSA-N 0 0 318.804 3.101 20 10 DGCDRN CN(C)c1ccc(OCC(=O)N2CCCc3ccccc32)cc1 ZINC000757701082 621734553 /nfs/dbraw/zinc/73/45/53/621734553.db2.gz AKTPTKXSKSBBSX-UHFFFAOYSA-N 0 0 310.397 3.111 20 10 DGCDRN CCN(C(=O)COc1ccc(N(C)C)cc1)C1CCCCC1 ZINC000757705870 621734950 /nfs/dbraw/zinc/73/49/50/621734950.db2.gz ZOBXJYHZOBXVPQ-UHFFFAOYSA-N 0 0 304.434 3.313 20 10 DGCDRN COc1ccc(N(C)CC(=O)N(C(C)C)C2CCCC2)cc1F ZINC000757852290 621743024 /nfs/dbraw/zinc/74/30/24/621743024.db2.gz JLSFWICTALEGLN-UHFFFAOYSA-N 0 0 322.424 3.450 20 10 DGCDRN COc1ccc(N(C)CC(=O)N(CC(C)C)C2CC2)cc1Cl ZINC000757857140 621743303 /nfs/dbraw/zinc/74/33/03/621743303.db2.gz LFJMORXOSSJTNN-UHFFFAOYSA-N 0 0 324.852 3.432 20 10 DGCDRN COc1ccc(N(C)CCOc2ccc([N+](=O)[O-])cc2)cc1F ZINC000757856837 621743359 /nfs/dbraw/zinc/74/33/59/621743359.db2.gz HOCDQXGRWGKENE-UHFFFAOYSA-N 0 0 320.320 3.258 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[N@H+](C)Cc2cccnc2)c1 ZINC000757871021 621744415 /nfs/dbraw/zinc/74/44/15/621744415.db2.gz CMLPXMAJQZKFTJ-UHFFFAOYSA-N 0 0 321.218 3.490 20 10 DGCDRN CCOc1cc(F)cc(/C=C2\SC(=S)N(CC)C2=O)c1 ZINC000864363671 621760945 /nfs/dbraw/zinc/76/09/45/621760945.db2.gz TWCHPCPIOYBTOE-GHXNOFRVSA-N 0 0 311.403 3.446 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(C(F)F)nc1 ZINC000864364655 621760983 /nfs/dbraw/zinc/76/09/83/621760983.db2.gz DXBMBVGQTLHIAU-WQLSENKSSA-N 0 0 323.368 3.475 20 10 DGCDRN O=S(=O)(Nc1ccc(O)cc1F)c1cc(F)cc(Cl)c1 ZINC000758171544 621762764 /nfs/dbraw/zinc/76/27/64/621762764.db2.gz UXKGQKOZZACERF-UHFFFAOYSA-N 0 0 319.716 3.125 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)cc1F ZINC000120094650 621781134 /nfs/dbraw/zinc/78/11/34/621781134.db2.gz JXVDXUQSZNNVHH-SECBINFHSA-N 0 0 308.284 3.429 20 10 DGCDRN O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc2ccccc2s1 ZINC000758433281 621781759 /nfs/dbraw/zinc/78/17/59/621781759.db2.gz GXROUZDWTSUCOI-RVDMUPIBSA-N 0 0 320.373 3.363 20 10 DGCDRN COc1ccc(CNCc2nnc(C(C)(C)C)s2)cc1C ZINC000758488598 621784814 /nfs/dbraw/zinc/78/48/14/621784814.db2.gz QNQYVAYYNBRRPR-UHFFFAOYSA-N 0 0 305.447 3.442 20 10 DGCDRN C[C@H](OC(=O)c1cccc(O)c1O)C(=O)c1ccc(Cl)cc1 ZINC000758545755 621788094 /nfs/dbraw/zinc/78/80/94/621788094.db2.gz BWPMDRKQIZYSGX-VIFPVBQESA-N 0 0 320.728 3.179 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@H](c2cccnc2)C2CC2)cc1 ZINC000758552997 621788426 /nfs/dbraw/zinc/78/84/26/621788426.db2.gz BOLUFNLTAQUWNO-SFHVURJKSA-N 0 0 324.428 3.098 20 10 DGCDRN CC(C)(C)c1nc(COC(=O)c2cccc(O)c2O)cs1 ZINC000758578142 621789899 /nfs/dbraw/zinc/78/98/99/621789899.db2.gz BDHYOJFBYMZQCS-UHFFFAOYSA-N 0 0 307.371 3.209 20 10 DGCDRN COc1ccc(Cl)c(COC(=O)c2cccc(O)c2O)c1 ZINC000758579267 621790098 /nfs/dbraw/zinc/79/00/98/621790098.db2.gz FPAWTGFUGIPONC-UHFFFAOYSA-N 0 0 308.717 3.117 20 10 DGCDRN Cc1noc(C[C@H]([NH2+]Cc2ccccc2O)c2ccccc2)n1 ZINC000758617279 621791690 /nfs/dbraw/zinc/79/16/90/621791690.db2.gz KBNZCMZZGZOXFM-INIZCTEOSA-N 0 0 309.369 3.157 20 10 DGCDRN C[C@H]1CCCC[C@]1(C)n1cc(COc2ccc(N)cc2)nn1 ZINC000864630653 621794165 /nfs/dbraw/zinc/79/41/65/621794165.db2.gz LNYVFMXAEBPLLC-GUYCJALGSA-N 0 0 300.406 3.365 20 10 DGCDRN CSc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)co1 ZINC000864633794 621794599 /nfs/dbraw/zinc/79/45/99/621794599.db2.gz LRTKYPWIEFWVSB-UHFFFAOYSA-N 0 0 304.415 3.340 20 10 DGCDRN COCc1sccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000864633325 621794618 /nfs/dbraw/zinc/79/46/18/621794618.db2.gz GANHTWYVLXEHSU-UHFFFAOYSA-N 0 0 318.442 3.233 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)CCC2(O)CCC2)cc1 ZINC000864636409 621794685 /nfs/dbraw/zinc/79/46/85/621794685.db2.gz JCGRVRRIJFJRDW-UHFFFAOYSA-N 0 0 318.461 3.186 20 10 DGCDRN O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)C1=CC(=O)CS1 ZINC000758716630 621797934 /nfs/dbraw/zinc/79/79/34/621797934.db2.gz ZURWRFNQVJANJM-GXTWGEPZSA-N 0 0 321.373 3.243 20 10 DGCDRN CCC(=CC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1)CC ZINC000759249432 621840136 /nfs/dbraw/zinc/84/01/36/621840136.db2.gz WOULKYLJDRRCCM-UHFFFAOYSA-N 0 0 320.408 3.229 20 10 DGCDRN COCc1cccc(COC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000759580223 621873178 /nfs/dbraw/zinc/87/31/78/621873178.db2.gz ORMPVWNSYKURKL-SOFGYWHQSA-N 0 0 314.337 3.001 20 10 DGCDRN COc1ccc(C)cc1COC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000759591263 621873546 /nfs/dbraw/zinc/87/35/46/621873546.db2.gz GKNKBRDXZVFWCC-VMPITWQZSA-N 0 0 314.337 3.171 20 10 DGCDRN CC(C)[C@@H](C)N(C)C(=O)NCCCSc1nccs1 ZINC000759590977 621873658 /nfs/dbraw/zinc/87/36/58/621873658.db2.gz OHWWGTGHJNXPES-LLVKDONJSA-N 0 0 301.481 3.311 20 10 DGCDRN Cc1ccc(OCCOC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000759591471 621873705 /nfs/dbraw/zinc/87/37/05/621873705.db2.gz IDGHWJUZXNVBKH-WEVVVXLNSA-N 0 0 314.337 3.042 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)c2nnc(C)o2)cc1 ZINC000759630835 621877640 /nfs/dbraw/zinc/87/76/40/621877640.db2.gz CUULVEYDIGVIFI-CYBMUJFWSA-N 0 0 324.384 3.277 20 10 DGCDRN CCCn1nc(C)c(/C=C2\SC(=S)N(CC)C2=O)c1C ZINC000759653663 621879443 /nfs/dbraw/zinc/87/94/43/621879443.db2.gz QRQKLUYFDGYUPS-WQLSENKSSA-N 0 0 309.460 3.131 20 10 DGCDRN C[C@@H]1C[C@@H]1c1nnc(NCc2c(O)cccc2Br)o1 ZINC000865294610 621891597 /nfs/dbraw/zinc/89/15/97/621891597.db2.gz PYPFNJYMRXXDOU-SFYZADRCSA-N 0 0 324.178 3.273 20 10 DGCDRN CCN(CC)c1ccc(CNc2ncc3c(n2)COC3)cc1F ZINC000865294981 621892337 /nfs/dbraw/zinc/89/23/37/621892337.db2.gz XLMFTAVFVZLWMB-UHFFFAOYSA-N 0 0 316.380 3.104 20 10 DGCDRN CCC(CC)(CO)C[NH2+]Cc1cccc(Br)c1[O-] ZINC000120490362 621896571 /nfs/dbraw/zinc/89/65/71/621896571.db2.gz UDEHANZSEIDUNY-UHFFFAOYSA-N 0 0 316.239 3.043 20 10 DGCDRN CC(C)(C)c1c[nH]c(SCC(=O)c2ccc(O)c(O)c2)n1 ZINC000865380662 621906561 /nfs/dbraw/zinc/90/65/61/621906561.db2.gz BEKGPNUCGYLTSS-UHFFFAOYSA-N 0 0 306.387 3.093 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@]2(C)CO)cc1 ZINC000760093529 621915092 /nfs/dbraw/zinc/91/50/92/621915092.db2.gz DMAPJURXDQPCSN-LJQANCHMSA-N 0 0 312.413 3.081 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1ccc(F)nn1 ZINC000865418675 621915670 /nfs/dbraw/zinc/91/56/70/621915670.db2.gz NIWLARWZDQOSBF-UHFFFAOYSA-N 0 0 300.381 3.242 20 10 DGCDRN C[C@@H](O)c1ccc(N(Cc2ccc(N(C)C)cc2)C2CC2)nc1 ZINC000865456327 621925915 /nfs/dbraw/zinc/92/59/15/621925915.db2.gz IHESSBJEODFZMJ-CQSZACIVSA-N 0 0 311.429 3.370 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CC3(C2)CCCCC3)cc1 ZINC000760600066 621953396 /nfs/dbraw/zinc/95/33/96/621953396.db2.gz WZUAYVSYNJWLLV-UHFFFAOYSA-N 0 0 301.434 3.228 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)c1ccc[nH]1 ZINC000760871707 621969992 /nfs/dbraw/zinc/96/99/92/621969992.db2.gz WIYBQWZBQYTHHA-AWEZNQCLSA-N 0 0 314.433 3.373 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CC3(C2)CCCCC3)cc1F ZINC000760992173 621978443 /nfs/dbraw/zinc/97/84/43/621978443.db2.gz RBKNXXGYOXPVAE-UHFFFAOYSA-N 0 0 319.424 3.367 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[C@@H](O)C(F)(F)F ZINC000865711829 621981645 /nfs/dbraw/zinc/98/16/45/621981645.db2.gz RNWKCTLATMRRRI-GPXNAGAYSA-N 0 0 318.122 3.100 20 10 DGCDRN CC[C@]1(C)COCCN1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000761110444 621987554 /nfs/dbraw/zinc/98/75/54/621987554.db2.gz OZPAZIOFXGIHRB-MRXNPFEDSA-N 0 0 311.809 3.249 20 10 DGCDRN COc1ccc(CNc2nc(C(C)C)nc3[nH]ccc32)c(O)c1 ZINC000865750555 621987863 /nfs/dbraw/zinc/98/78/63/621987863.db2.gz QUZRZWADXIJLMH-UHFFFAOYSA-N 0 0 312.373 3.408 20 10 DGCDRN O=C(NC1CCC(O)(c2ccccc2)CC1)C1=CC(=O)CS1 ZINC000761185090 621992833 /nfs/dbraw/zinc/99/28/33/621992833.db2.gz IYOFVILIKFIGJK-UHFFFAOYSA-N 0 0 317.410 3.014 20 10 DGCDRN COc1ccc(N(C)Cc2cccc(OC)c2OC)cc1OC ZINC000761220557 621995404 /nfs/dbraw/zinc/99/54/04/621995404.db2.gz GSAVFIHFSTYBMM-UHFFFAOYSA-N 0 0 317.385 3.357 20 10 DGCDRN Oc1cc2c(cc1CN[C@@H](CF)c1ccc(F)cc1)OCO2 ZINC000865822567 622001329 /nfs/dbraw/zinc/00/13/29/622001329.db2.gz KOQUNNLZPLQEBE-ZDUSSCGKSA-N 0 0 307.296 3.060 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H](C)c2ccnn2C)c1 ZINC000865839432 622005681 /nfs/dbraw/zinc/00/56/81/622005681.db2.gz VZSXZPLKUJUKOT-SNVBAGLBSA-N 0 0 324.222 3.047 20 10 DGCDRN COCc1sccc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000865904247 622018174 /nfs/dbraw/zinc/01/81/74/622018174.db2.gz LCOVJFDIGOVDLW-UHFFFAOYSA-N 0 0 318.442 3.199 20 10 DGCDRN C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)[C@H](C)N(C2CCC2)C1=O ZINC000761576058 622018537 /nfs/dbraw/zinc/01/85/37/622018537.db2.gz AEJSFJRZHLGZTJ-STQMWFEESA-N 0 0 315.417 3.019 20 10 DGCDRN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)[C@H](C)N(C2CCC2)C1=O ZINC000761576053 622018544 /nfs/dbraw/zinc/01/85/44/622018544.db2.gz AEJSFJRZHLGZTJ-OLZOCXBDSA-N 0 0 315.417 3.019 20 10 DGCDRN Cn1c(-c2ccccc2)cnc1SC[C@H]1CC2(CC2)C(=O)O1 ZINC000761641043 622021766 /nfs/dbraw/zinc/02/17/66/622021766.db2.gz HPIWTZSWXRKUKI-CYBMUJFWSA-N 0 0 314.410 3.275 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)[C@@H]1CCSC1 ZINC000762331274 622068983 /nfs/dbraw/zinc/06/89/83/622068983.db2.gz OCQKEHOJKAHMMQ-GFCCVEGCSA-N 0 0 324.409 3.088 20 10 DGCDRN CCC[C@@H](O)CNC(=O)c1sccc1-n1c(C)ccc1C ZINC000762442560 622075935 /nfs/dbraw/zinc/07/59/35/622075935.db2.gz RQISBFXDAVOOMT-CYBMUJFWSA-N 0 0 306.431 3.046 20 10 DGCDRN COc1cc(NCc2cc(C)ccc2O)ncc1Br ZINC000762626493 622087771 /nfs/dbraw/zinc/08/77/71/622087771.db2.gz RRPYLTNJMWTUPA-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN CCOc1ccc(CNc2ccc(C(=O)OC)c(C)c2)c(O)c1 ZINC000762650409 622089447 /nfs/dbraw/zinc/08/94/47/622089447.db2.gz CNJUUMLFIYMKKL-UHFFFAOYSA-N 0 0 315.369 3.498 20 10 DGCDRN Cc1cc(NCc2cccc(Br)c2O)nnc1C ZINC000762651142 622089580 /nfs/dbraw/zinc/08/95/80/622089580.db2.gz HLGOUOHGQDYVAB-UHFFFAOYSA-N 0 0 308.179 3.174 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1ccc(F)cc1[O-] ZINC000866530998 622132718 /nfs/dbraw/zinc/13/27/18/622132718.db2.gz DAGZRMPQADCXHA-HOCLYGCPSA-N 0 0 323.408 3.158 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1coc(C2CC2)n1 ZINC000763250421 622133279 /nfs/dbraw/zinc/13/32/79/622133279.db2.gz FSPSAXLWEBAODW-UHFFFAOYSA-N 0 0 300.358 3.310 20 10 DGCDRN CC1(C)C(=O)Nc2ccc(C(=O)CSc3nccs3)cc21 ZINC000763253992 622133414 /nfs/dbraw/zinc/13/34/14/622133414.db2.gz BMOFDGYMWOWFCK-UHFFFAOYSA-N 0 0 318.423 3.348 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)C1([C@@H]2CCCCO2)CCC1 ZINC000866596332 622144024 /nfs/dbraw/zinc/14/40/24/622144024.db2.gz DMDPZMJCJSVYDG-INIZCTEOSA-N 0 0 303.402 3.090 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1nc(C(C)(C)C)cs1 ZINC000866596860 622144064 /nfs/dbraw/zinc/14/40/64/622144064.db2.gz KBFLINBQKLLYLJ-UHFFFAOYSA-N 0 0 304.415 3.418 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000763477179 622147621 /nfs/dbraw/zinc/14/76/21/622147621.db2.gz DPTVJZBCAPFPBI-GFCCVEGCSA-N 0 0 307.752 3.147 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N[C@H]3CCC(F)(F)C3)ccc21 ZINC000763706961 622159089 /nfs/dbraw/zinc/15/90/89/622159089.db2.gz MZAQCJKEPUYBQD-AWEZNQCLSA-N 0 0 323.387 3.056 20 10 DGCDRN COc1ccc(N(CC(C)C)C[C@@H]2CC3(CC3)C(=O)O2)cc1 ZINC000763724244 622159976 /nfs/dbraw/zinc/15/99/76/622159976.db2.gz PSISGDAEAZJOSF-INIZCTEOSA-N 0 0 303.402 3.253 20 10 DGCDRN COc1ccc(N(C[C@@H]2CC3(CC3)C(=O)O2)[C@H](C)C2CC2)cc1 ZINC000763730422 622160207 /nfs/dbraw/zinc/16/02/07/622160207.db2.gz RXCWKAKGLNVZKM-DYVFJYSZSA-N 0 0 315.413 3.396 20 10 DGCDRN COc1ccc(N(C[C@H]2CC3(CC3)C(=O)O2)[C@H](C)C2CC2)cc1 ZINC000763730421 622160238 /nfs/dbraw/zinc/16/02/38/622160238.db2.gz RXCWKAKGLNVZKM-CXAGYDPISA-N 0 0 315.413 3.396 20 10 DGCDRN C/C(=C\C1CCC(C)CC1)C(=O)NCc1ccc(O)c(O)c1 ZINC000866770315 622163020 /nfs/dbraw/zinc/16/30/20/622163020.db2.gz VKOMWCNXEFGXJC-UKTHLTGXSA-N 0 0 303.402 3.487 20 10 DGCDRN CCO[C@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)C1CCCC1 ZINC000866763231 622163249 /nfs/dbraw/zinc/16/32/49/622163249.db2.gz CMDSNJPERKJKKO-PXAZEXFGSA-N 0 0 321.417 3.173 20 10 DGCDRN CC(C)OC(=O)[C@H](C)N(C)Cc1c(O)ccc2ccccc21 ZINC000121606379 622166620 /nfs/dbraw/zinc/16/66/20/622166620.db2.gz YIJUOFWMPQTJRY-ZDUSSCGKSA-N 0 0 301.386 3.317 20 10 DGCDRN COCc1sccc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000867502759 622169279 /nfs/dbraw/zinc/16/92/79/622169279.db2.gz CNNYKEZAFBDMDD-LBPRGKRZSA-N 0 0 318.442 3.452 20 10 DGCDRN c1[nH]nc2ccc(NCc3ccc(N4CCOCC4)cc3)cc12 ZINC000121788679 622181306 /nfs/dbraw/zinc/18/13/06/622181306.db2.gz GQVZNQTXMHJCPZ-UHFFFAOYSA-N 0 0 308.385 3.012 20 10 DGCDRN O=C(NCc1csc(-c2ccco2)n1)C1=CC(=O)CS1 ZINC000764343672 622189387 /nfs/dbraw/zinc/18/93/87/622189387.db2.gz XTHLMDZKJBCHKE-UHFFFAOYSA-N 0 0 306.368 3.100 20 10 DGCDRN C[C@H](Cc1cccs1)NC(=O)N[C@H](C)c1ccccc1O ZINC000868045283 622208123 /nfs/dbraw/zinc/20/81/23/622208123.db2.gz WGUJVOXPPPTBNO-VXGBXAGGSA-N 0 0 304.415 3.445 20 10 DGCDRN Cc1c(Cl)ccc2c1CN(C(=O)Cc1ccc(N)cc1)CC2 ZINC000868052237 622208903 /nfs/dbraw/zinc/20/89/03/622208903.db2.gz NWEYPESBKPPHOG-UHFFFAOYSA-N 0 0 314.816 3.358 20 10 DGCDRN CON(C(=O)C1=CC(=O)CS1)[C@@H]1CCCOc2ccccc21 ZINC000764673976 622212183 /nfs/dbraw/zinc/21/21/83/622212183.db2.gz UZWBDEPBGMRWKQ-CYBMUJFWSA-N 0 0 319.382 3.371 20 10 DGCDRN C[C@H](NC(=O)NCCO[C@H]1CCCC[C@@H]1C)c1ccccc1O ZINC000868103162 622214216 /nfs/dbraw/zinc/21/42/16/622214216.db2.gz GDVYCTFSYRNHCN-ZQIUZPCESA-N 0 0 320.433 3.348 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1)c1ccccc1O ZINC000868165218 622221032 /nfs/dbraw/zinc/22/10/32/622221032.db2.gz ZYEJTECMRHLWQG-IUIKQTSFSA-N 0 0 314.360 3.448 20 10 DGCDRN C[C@@H](NC(=O)NCCCOC1CCCC1)c1ccccc1O ZINC000868174695 622222052 /nfs/dbraw/zinc/22/20/52/622222052.db2.gz INEDIXQXFTXUAU-CYBMUJFWSA-N 0 0 306.406 3.102 20 10 DGCDRN COC(=O)c1nc(N[C@@H](C)c2ccc(N(C)C)cc2)sc1C ZINC000764892876 622230720 /nfs/dbraw/zinc/23/07/20/622230720.db2.gz QAWFXBJCXUKUQU-JTQLQIEISA-N 0 0 319.430 3.477 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCCC12CC2 ZINC000868298231 622231809 /nfs/dbraw/zinc/23/18/09/622231809.db2.gz QRHUXWVXYLNNGX-KRWDZBQOSA-N 0 0 311.429 3.195 20 10 DGCDRN Oc1c(Br)cccc1CNc1ccncc1Cl ZINC000764935438 622234036 /nfs/dbraw/zinc/23/40/36/622234036.db2.gz UEQYWCRGILEIBC-UHFFFAOYSA-N 0 0 313.582 3.237 20 10 DGCDRN Cc1noc(C)c1[C@@H](C)CNC(=O)N[C@H](C)c1ccccc1O ZINC000868432841 622243740 /nfs/dbraw/zinc/24/37/40/622243740.db2.gz GABDYALFNGPBRN-WDEREUQCSA-N 0 0 317.389 3.161 20 10 DGCDRN Cc1noc(C)c1[C@@H](C)CNC(=O)N[C@@H](C)c1ccccc1O ZINC000868432840 622243809 /nfs/dbraw/zinc/24/38/09/622243809.db2.gz GABDYALFNGPBRN-QWRGUYRKSA-N 0 0 317.389 3.161 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1)c1ccccc1O ZINC000868460962 622245789 /nfs/dbraw/zinc/24/57/89/622245789.db2.gz IBVBZADYOCRQAH-IOASZLSFSA-N 0 0 320.433 3.346 20 10 DGCDRN C[C@H](NC(=O)NCCSCC(F)(F)F)c1ccccc1O ZINC000868467833 622246335 /nfs/dbraw/zinc/24/63/35/622246335.db2.gz PZWJIUXTSMKCMY-VIFPVBQESA-N 0 0 322.352 3.048 20 10 DGCDRN Cc1cnc([C@@H](C)CNC(=O)N[C@H](C)c2ccccc2O)s1 ZINC000868498785 622250525 /nfs/dbraw/zinc/25/05/25/622250525.db2.gz AEYVAGZEYIRIML-CMPLNLGQSA-N 0 0 319.430 3.321 20 10 DGCDRN CC[C@@H](CC(F)(F)F)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868501452 622250933 /nfs/dbraw/zinc/25/09/33/622250933.db2.gz KEURRSJFOHLTSR-UWVGGRQHSA-N 0 0 304.312 3.483 20 10 DGCDRN C[C@@H](NC(=O)N[C@H]1CCCC12CC2)c1ccc(N(C)C)cc1 ZINC000868515122 622252806 /nfs/dbraw/zinc/25/28/06/622252806.db2.gz IZVYEHSJBUDISM-CJNGLKHVSA-N 0 0 301.434 3.446 20 10 DGCDRN CC(=O)c1cccc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000765337623 622260241 /nfs/dbraw/zinc/26/02/41/622260241.db2.gz YSERGHZMPIMPDW-UHFFFAOYSA-N 0 0 314.360 3.024 20 10 DGCDRN Cc1ccc([N+](=O)[O-])c(NCc2c(O)ccc3c2CCCC3)n1 ZINC000765508740 622269497 /nfs/dbraw/zinc/26/94/97/622269497.db2.gz JYYDUCFYVYBLEI-UHFFFAOYSA-N 0 0 313.357 3.495 20 10 DGCDRN C[C@@H]1CC[C@H](C(=O)NCc2cccc(Br)c2O)C1 ZINC000765770967 622286505 /nfs/dbraw/zinc/28/65/05/622286505.db2.gz UGFRFIIDNWRBIY-ZJUUUORDSA-N 0 0 312.207 3.207 20 10 DGCDRN COc1cccc(CNC(=O)/C=C/c2ccc3[nH]ccc3c2)c1O ZINC000765864629 622292016 /nfs/dbraw/zinc/29/20/16/622292016.db2.gz NTMRVZUNDYZPOM-SOFGYWHQSA-N 0 0 322.364 3.212 20 10 DGCDRN Cc1ncc([C@@H](C)NC(=O)N[C@H](C)c2ccccc2O)s1 ZINC000868934935 622301344 /nfs/dbraw/zinc/30/13/44/622301344.db2.gz YOUYOLZXWRANNF-NXEZZACHSA-N 0 0 305.403 3.279 20 10 DGCDRN Oc1cccc(Cl)c1CNc1cccc2c1OCC[C@@H]2O ZINC000766083895 622304127 /nfs/dbraw/zinc/30/41/27/622304127.db2.gz DKHIJRKEZGQMEH-HNNXBMFYSA-N 0 0 305.761 3.474 20 10 DGCDRN O=C(NCC[C@@H]1CCCS1)NCc1cc(Cl)ccc1O ZINC000868973846 622304789 /nfs/dbraw/zinc/30/47/89/622304789.db2.gz LFMSKXYQRDIEBN-LBPRGKRZSA-N 0 0 314.838 3.131 20 10 DGCDRN C[C@H](NC(=O)N[C@@H](C1CCC1)[C@H]1CCCO1)c1ccccc1O ZINC000868988705 622306716 /nfs/dbraw/zinc/30/67/16/622306716.db2.gz AZIIZEGSKZSRHV-VUCTXSBTSA-N 0 0 318.417 3.100 20 10 DGCDRN CC[C@H]1CCCC[C@H]1OCC(=O)NCc1ccc(N(C)C)cc1 ZINC000766332367 622322151 /nfs/dbraw/zinc/32/21/51/622322151.db2.gz NJPOYBRVSHLWKG-FUHWJXTLSA-N 0 0 318.461 3.354 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cn1c2ccccc2oc1=O ZINC000766342670 622323470 /nfs/dbraw/zinc/32/34/70/622323470.db2.gz YVMVMJXQQPSCRF-UHFFFAOYSA-N 0 0 310.353 3.013 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cn1c2cc(C)ccc2oc1=O ZINC000766342427 622323598 /nfs/dbraw/zinc/32/35/98/622323598.db2.gz RDVPAGWYUBIUGJ-UHFFFAOYSA-N 0 0 324.380 3.322 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCOC[C@@H]2C)cc1 ZINC000766372920 622325237 /nfs/dbraw/zinc/32/52/37/622325237.db2.gz HBKKRISNXXUWAP-YJBOKZPZSA-N 0 0 318.461 3.164 20 10 DGCDRN C[C@@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@H]1C ZINC000766775595 622352095 /nfs/dbraw/zinc/35/20/95/622352095.db2.gz GJPZEHSDEMGVJV-HUUCEWRRSA-N 0 0 315.461 3.257 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C(C)C)on2)c1 ZINC000122622246 622366421 /nfs/dbraw/zinc/36/64/21/622366421.db2.gz VDINXJSZLYXMLK-SNVBAGLBSA-N 0 0 304.346 3.003 20 10 DGCDRN CC(C)c1cc(C(=O)NCc2c(O)ccc3c2CCCC3)no1 ZINC000122663414 622377431 /nfs/dbraw/zinc/37/74/31/622377431.db2.gz WVLRSKWGNJAOGJ-UHFFFAOYSA-N 0 0 314.385 3.312 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1cc(CO)ccn1 ZINC000881776146 625561524 /nfs/dbraw/zinc/56/15/24/625561524.db2.gz BJYCKCRJAARJGY-UHFFFAOYSA-N 0 0 311.429 3.201 20 10 DGCDRN Cc1cc(Cl)cc(C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000122791758 622406311 /nfs/dbraw/zinc/40/63/11/622406311.db2.gz VVVFUTLJFWUIBC-UHFFFAOYSA-N 0 0 305.761 3.032 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CCCC(F)(F)C2)cc1 ZINC000767845356 622424354 /nfs/dbraw/zinc/42/43/54/622424354.db2.gz SHAZPRHQJIEBHA-CYBMUJFWSA-N 0 0 311.376 3.130 20 10 DGCDRN COc1ccc(C[N@H+](C)Cc2c(O)cccc2OC)cc1OC ZINC000768170334 622443105 /nfs/dbraw/zinc/44/31/05/622443105.db2.gz OOYPIEADCLKLPF-UHFFFAOYSA-N 0 0 317.385 3.050 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)O[C@@H](C)c2nncn2C)cc1 ZINC000805361823 622444300 /nfs/dbraw/zinc/44/43/00/622444300.db2.gz JMFVGTFFBAHZKX-AWEZNQCLSA-N 0 0 324.384 3.141 20 10 DGCDRN C[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)c2ccccc21 ZINC000768462493 622458249 /nfs/dbraw/zinc/45/82/49/622458249.db2.gz LYURVGAVWMBGRU-XIKOKIGWSA-N 0 0 311.381 3.332 20 10 DGCDRN COc1cccc(O)c1CN1CCO[C@@H](c2cccs2)C1 ZINC000769146246 622502173 /nfs/dbraw/zinc/50/21/73/622502173.db2.gz GMUHLERJVOXHQR-OAHLLOKOSA-N 0 0 305.399 3.036 20 10 DGCDRN CN(C)c1ccc(CNc2ccc(N3CCCC3)cn2)cc1F ZINC000769378908 622522795 /nfs/dbraw/zinc/52/27/95/622522795.db2.gz WQQPKBHDRWEEAN-UHFFFAOYSA-N 0 0 314.408 3.499 20 10 DGCDRN COC(=O)[C@H]1c2ccccc2CCN1Cc1ccc(N(C)C)cc1 ZINC000769516987 622537029 /nfs/dbraw/zinc/53/70/29/622537029.db2.gz XRTHKANVEVUBFS-LJQANCHMSA-N 0 0 324.424 3.025 20 10 DGCDRN C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1O)NC(=O)OC(C)(C)C ZINC000769686880 622549164 /nfs/dbraw/zinc/54/91/64/622549164.db2.gz KFXXZXAAMXTIAA-CHWSQXEVSA-N 0 0 308.422 3.174 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3csc(Cl)n3)ccc21 ZINC000769692309 622549915 /nfs/dbraw/zinc/54/99/15/622549915.db2.gz HYRFPVUBOFNNET-UHFFFAOYSA-N 0 0 321.833 3.109 20 10 DGCDRN COc1cc(C)c(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC000769697759 622550539 /nfs/dbraw/zinc/55/05/39/622550539.db2.gz UWFACPYQNOASKQ-FNORWQNLSA-N 0 0 313.353 3.375 20 10 DGCDRN O=C(CCCOc1ccc(F)cc1)N1Cc2cccc(O)c2C1 ZINC000871198658 622565796 /nfs/dbraw/zinc/56/57/96/622565796.db2.gz MHMSVVIVWSRSPN-UHFFFAOYSA-N 0 0 315.344 3.233 20 10 DGCDRN Cc1cc(C(=O)N2Cc3cccc(O)c3C2)nn1[C@H](C)C1CC1 ZINC000871203482 622567230 /nfs/dbraw/zinc/56/72/30/622567230.db2.gz ASPVJUVQTNFQQR-GFCCVEGCSA-N 0 0 311.385 3.024 20 10 DGCDRN COc1ccc(C[C@@H](C)C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871203042 622567342 /nfs/dbraw/zinc/56/73/42/622567342.db2.gz LDTFOQWXPHAVCQ-CYBMUJFWSA-N 0 0 311.381 3.122 20 10 DGCDRN O=C(c1cc(C2CCCCC2)n[nH]1)N1Cc2cccc(O)c2C1 ZINC000871203917 622567449 /nfs/dbraw/zinc/56/74/49/622567449.db2.gz VELLYDFSEKJBQB-UHFFFAOYSA-N 0 0 311.385 3.319 20 10 DGCDRN O=C(CO[C@H]1CCCc2ccccc21)N1Cc2cccc(O)c2C1 ZINC000871204525 622567822 /nfs/dbraw/zinc/56/78/22/622567822.db2.gz FNXMUKRNKSISQY-IBGZPJMESA-N 0 0 323.392 3.329 20 10 DGCDRN O=C(NCCCSc1nccs1)NC1(C2CC2)CCC1 ZINC000888565423 622598174 /nfs/dbraw/zinc/59/81/74/622598174.db2.gz JDSAWRDTDLCBLK-UHFFFAOYSA-N 0 0 311.476 3.257 20 10 DGCDRN COc1c(CNC(=O)C2=CC(=O)CS2)oc2ccccc21 ZINC000789913950 625579522 /nfs/dbraw/zinc/57/95/22/625579522.db2.gz BLBTYDNSSCZMLF-UHFFFAOYSA-N 0 0 303.339 3.139 20 10 DGCDRN CCc1ccc(CN2CCN(c3ccc(OC)c(F)c3)CC2)o1 ZINC000770301964 622619256 /nfs/dbraw/zinc/61/92/56/622619256.db2.gz OLSXJRRBSKTLKW-UHFFFAOYSA-N 0 0 318.392 3.312 20 10 DGCDRN Cc1ccncc1[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000770721909 622664281 /nfs/dbraw/zinc/66/42/81/622664281.db2.gz BGCDBEQXVHYIFH-AWEZNQCLSA-N 0 0 312.417 3.016 20 10 DGCDRN CC(C)c1n[nH]cc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000770743254 622666128 /nfs/dbraw/zinc/66/61/28/622666128.db2.gz HXOHSFLPZUUJRV-LBPRGKRZSA-N 0 0 300.406 3.090 20 10 DGCDRN CCC[C@@](C)(O)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000770754595 622667161 /nfs/dbraw/zinc/66/71/61/622667161.db2.gz RVCQPPZLALYFPC-GOSISDBHSA-N 0 0 306.450 3.042 20 10 DGCDRN CN(Cc1ccc(Cl)cc1)C(=O)c1c(F)ccc(O)c1O ZINC000789939930 625585413 /nfs/dbraw/zinc/58/54/13/625585413.db2.gz SBQKIXDYMZYTBN-UHFFFAOYSA-N 0 0 309.724 3.163 20 10 DGCDRN COc1ccc(N2CCC(Nc3ncnc(C)c3C)CC2)cc1 ZINC000881906199 625586613 /nfs/dbraw/zinc/58/66/13/625586613.db2.gz IMRNXHRHPHLRRF-UHFFFAOYSA-N 0 0 312.417 3.183 20 10 DGCDRN CO[C@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C(C)C ZINC000771105429 622713960 /nfs/dbraw/zinc/71/39/60/622713960.db2.gz UQYZHKYUYVXXBU-SFHVURJKSA-N 0 0 318.461 3.306 20 10 DGCDRN CC(C)Nc1ccccc1NCc1nnnn1Cc1ccccc1 ZINC000871846031 622714487 /nfs/dbraw/zinc/71/44/87/622714487.db2.gz OVWWMQQYRNHZMS-UHFFFAOYSA-N 0 0 322.416 3.154 20 10 DGCDRN Cc1ccc(C[C@H](C)NC(=O)c2c(F)ccc(O)c2O)c(C)c1 ZINC000789975732 625589971 /nfs/dbraw/zinc/58/99/71/625589971.db2.gz CGPKFASVACPWSH-LBPRGKRZSA-N 0 0 317.360 3.215 20 10 DGCDRN COc1ccc(F)c(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000123895565 622748182 /nfs/dbraw/zinc/74/81/82/622748182.db2.gz HNYRFAFQJHQBJH-UHFFFAOYSA-N 0 0 316.376 3.283 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OCCn1ccnc1 ZINC000771924383 622817038 /nfs/dbraw/zinc/81/70/38/622817038.db2.gz BWKRNOKBPHWGAB-UHFFFAOYSA-N 0 0 315.398 3.209 20 10 DGCDRN Nc1ccc(Cc2noc(Cc3csc(C4CC4)n3)n2)cc1 ZINC000872171751 622849595 /nfs/dbraw/zinc/84/95/95/622849595.db2.gz XARAEVIVAKOJCE-UHFFFAOYSA-N 0 0 312.398 3.167 20 10 DGCDRN CC[C@H]1CC[C@H](C)N1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000772454725 622898740 /nfs/dbraw/zinc/89/87/40/622898740.db2.gz JTOLPLBUTVUGPA-JSGCOSHPSA-N 0 0 307.413 3.364 20 10 DGCDRN Cc1c(NC(=O)C2=CC(=O)CS2)cnn1-c1ccccc1F ZINC000772534054 622909876 /nfs/dbraw/zinc/90/98/76/622909876.db2.gz LCFJITFJISECSS-UHFFFAOYSA-N 0 0 317.345 3.339 20 10 DGCDRN Cc1cc(NCCCSc2nccs2)c2cnn(C)c2n1 ZINC000872453084 622917794 /nfs/dbraw/zinc/91/77/94/622917794.db2.gz HEFZLGRGRCEDKM-UHFFFAOYSA-N 0 0 319.459 3.328 20 10 DGCDRN CC[C@H](CO)NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000124099817 622918640 /nfs/dbraw/zinc/91/86/40/622918640.db2.gz FAQKLIIONLQWFH-CQSZACIVSA-N 0 0 320.820 3.248 20 10 DGCDRN COc1cccc(CNc2cc(OC)c(OC)cc2F)c1O ZINC000129390051 625606350 /nfs/dbraw/zinc/60/63/50/625606350.db2.gz JMQYNSJFNLAWOO-UHFFFAOYSA-N 0 0 307.321 3.169 20 10 DGCDRN CCC1(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCOCC1 ZINC000773005655 622964754 /nfs/dbraw/zinc/96/47/54/622964754.db2.gz CIMMDYQQSPLLCI-AWEZNQCLSA-N 0 0 304.434 3.137 20 10 DGCDRN CCC1(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCOCC1 ZINC000773005658 622965214 /nfs/dbraw/zinc/96/52/14/622965214.db2.gz CIMMDYQQSPLLCI-CQSZACIVSA-N 0 0 304.434 3.137 20 10 DGCDRN CCc1nc(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000773013034 622967237 /nfs/dbraw/zinc/96/72/37/622967237.db2.gz ZCMYMMBEFPSUAZ-LBPRGKRZSA-N 0 0 317.458 3.191 20 10 DGCDRN C[C@H](NC(=O)CC[C@H]1CCCCO1)c1ccc(N(C)C)cc1 ZINC000773028405 622970264 /nfs/dbraw/zinc/97/02/64/622970264.db2.gz ZJEBGSAXKVDEAT-WMLDXEAASA-N 0 0 304.434 3.279 20 10 DGCDRN Cc1ccc(N2C(=O)/C(=C\c3ccn(C)n3)SC2=S)cc1 ZINC000773147090 622991528 /nfs/dbraw/zinc/99/15/28/622991528.db2.gz ZPSNGFUEPQODRU-UKTHLTGXSA-N 0 0 315.423 3.134 20 10 DGCDRN Clc1ccc(C2=CCN(c3ccc4nccnc4n3)CC2)cn1 ZINC000773247286 623004711 /nfs/dbraw/zinc/00/47/11/623004711.db2.gz HSFBVMDRVWRNEK-UHFFFAOYSA-N 0 0 323.787 3.367 20 10 DGCDRN Clc1ccc(C2=CCN(c3ncnc4c3CCC4)CC2)cn1 ZINC000773254023 623004890 /nfs/dbraw/zinc/00/48/90/623004890.db2.gz HZCWQYGRTDNTBU-UHFFFAOYSA-N 0 0 312.804 3.307 20 10 DGCDRN Cc1ncsc1CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773277101 623007390 /nfs/dbraw/zinc/00/73/90/623007390.db2.gz QTOJXXLZYMYEKL-LLVKDONJSA-N 0 0 318.446 3.078 20 10 DGCDRN COCC(C)(C)CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000872976352 623009600 /nfs/dbraw/zinc/00/96/00/623009600.db2.gz CEXXIJCRLHWYQJ-AWEZNQCLSA-N 0 0 321.465 3.176 20 10 DGCDRN COc1ncc(/C=C\C(=O)N2C[C@@H](C(C)C)c3ccccc32)cn1 ZINC000773328998 623013777 /nfs/dbraw/zinc/01/37/77/623013777.db2.gz YDZNADYVFDZHKN-QWGSZXSUSA-N 0 0 323.396 3.285 20 10 DGCDRN C[C@@H](NC(=O)NC[C@]1(C)CCCS1)c1ccc(N(C)C)cc1 ZINC000773388000 623021017 /nfs/dbraw/zinc/02/10/17/623021017.db2.gz BMOLORYSAZQODN-DYVFJYSZSA-N 0 0 321.490 3.399 20 10 DGCDRN CC[C@H](CSC)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773440875 623028369 /nfs/dbraw/zinc/02/83/69/623028369.db2.gz GZXGVGKTNFNZGJ-TZMCWYRMSA-N 0 0 309.479 3.254 20 10 DGCDRN C[C@@H](NC(=O)NC1Cc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000773447659 623028857 /nfs/dbraw/zinc/02/88/57/623028857.db2.gz RFGVVRWIJSJDKJ-CQSZACIVSA-N 0 0 323.440 3.280 20 10 DGCDRN Cc1nnc(CN(Cc2ccco2)Cc2ccccc2O)s1 ZINC000773456603 623029609 /nfs/dbraw/zinc/02/96/09/623029609.db2.gz NTANDMDYOPAHHF-UHFFFAOYSA-N 0 0 315.398 3.348 20 10 DGCDRN C[C@@H](NC(=O)NC[C@H]1Cc2ccccc21)c1ccc(N(C)C)cc1 ZINC000773614262 623050884 /nfs/dbraw/zinc/05/08/84/623050884.db2.gz SUQRUIGSCUVFQD-RHSMWYFYSA-N 0 0 323.440 3.453 20 10 DGCDRN CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCS1 ZINC000773613057 623050910 /nfs/dbraw/zinc/05/09/10/623050910.db2.gz OUMHCXIILIBUOL-XJKSGUPXSA-N 0 0 321.490 3.351 20 10 DGCDRN C[C@H](NC(=O)N(C)Cc1nccs1)c1ccc(N(C)C)cc1 ZINC000773621590 623051450 /nfs/dbraw/zinc/05/14/50/623051450.db2.gz CLTAWTVUIMPURR-LBPRGKRZSA-N 0 0 318.446 3.112 20 10 DGCDRN C[C@H](NC(=O)NC[C@H]1CCCCS1)c1ccc(N(C)C)cc1 ZINC000773626119 623053057 /nfs/dbraw/zinc/05/30/57/623053057.db2.gz MFXKRLTVMREBLA-XJKSGUPXSA-N 0 0 321.490 3.399 20 10 DGCDRN C[C@@H](NC(=O)N[C@H]1CCCSC1)c1ccc(N(C)C)cc1 ZINC000773627569 623053096 /nfs/dbraw/zinc/05/30/96/623053096.db2.gz OZPGDCYQLYBPJD-OCCSQVGLSA-N 0 0 307.463 3.008 20 10 DGCDRN Cc1ccc(Cl)cc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000773745646 623066387 /nfs/dbraw/zinc/06/63/87/623066387.db2.gz PCCYGZNYGZTDEI-LLVKDONJSA-N 0 0 319.788 3.421 20 10 DGCDRN Cc1nc2ccccc2c(C)c1C(=O)NCc1ccccc1O ZINC000774066383 623104011 /nfs/dbraw/zinc/10/40/11/623104011.db2.gz SWYJLZNPWPZPME-UHFFFAOYSA-N 0 0 306.365 3.487 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCCN(C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774137139 623111490 /nfs/dbraw/zinc/11/14/90/623111490.db2.gz VUIONIRYMVFXOT-UWVGGRQHSA-N 0 0 303.233 3.444 20 10 DGCDRN Cc1csc([C@H]2CCN(C(=O)Nc3ccc(N)cc3)C2)n1 ZINC000873327485 623112972 /nfs/dbraw/zinc/11/29/72/623112972.db2.gz HZQWCXQPFMTTIS-NSHDSACASA-N 0 0 302.403 3.055 20 10 DGCDRN CC(C)=CCCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000790262560 625624085 /nfs/dbraw/zinc/62/40/85/625624085.db2.gz UDYFGEUGBJCDNL-UHFFFAOYSA-N 0 0 301.434 3.225 20 10 DGCDRN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1nc(C2CC2)no1 ZINC000774484993 623151206 /nfs/dbraw/zinc/15/12/06/623151206.db2.gz UHXWWHRAEBGKSI-NWDGAFQWSA-N 0 0 300.406 3.425 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C[C@H]1CC1(Cl)Cl ZINC000774753781 623187528 /nfs/dbraw/zinc/18/75/28/623187528.db2.gz OHDZECOZWXOGOG-SNVBAGLBSA-N 0 0 301.217 3.145 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)CCc1ccc(F)cc1F ZINC000124594933 623196426 /nfs/dbraw/zinc/19/64/26/623196426.db2.gz MAGCYVANKVGKJG-UHFFFAOYSA-N 0 0 305.324 3.262 20 10 DGCDRN CCC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000774904083 623206488 /nfs/dbraw/zinc/20/64/88/623206488.db2.gz NUMVVQKWSAZSCW-GFCCVEGCSA-N 0 0 308.378 3.321 20 10 DGCDRN COc1c(O)c(CNc2ccc(F)c(C)c2)ccc1[N+](=O)[O-] ZINC000774929075 623208950 /nfs/dbraw/zinc/20/89/50/623208950.db2.gz NVRFDEFLNSKXSK-UHFFFAOYSA-N 0 0 306.293 3.369 20 10 DGCDRN COc1ccc(N2CCN(C(=O)C3CCC=CCC3)CC2)cc1 ZINC000873779179 623211528 /nfs/dbraw/zinc/21/15/28/623211528.db2.gz PYBKKIASILLLGA-UHFFFAOYSA-N 0 0 314.429 3.090 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000775016099 623216868 /nfs/dbraw/zinc/21/68/68/623216868.db2.gz NZTATAILVIYSHS-NQBHXWOUSA-N 0 0 308.378 3.223 20 10 DGCDRN CNc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1F ZINC000873860833 623217068 /nfs/dbraw/zinc/21/70/68/623217068.db2.gz ZMDJVEDLSDEHDR-UHFFFAOYSA-N 0 0 315.392 3.206 20 10 DGCDRN CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000775023793 623217860 /nfs/dbraw/zinc/21/78/60/623217860.db2.gz MDIXZIKHQBMSCJ-DGCLKSJQSA-N 0 0 308.378 3.367 20 10 DGCDRN COc1c(O)c(CNc2cnccc2SC)ccc1[N+](=O)[O-] ZINC000775032201 623218997 /nfs/dbraw/zinc/21/89/97/623218997.db2.gz FYZOMKTYCZEJID-UHFFFAOYSA-N 0 0 321.358 3.038 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CC[C@@H](C)C3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000775056787 623222898 /nfs/dbraw/zinc/22/28/98/623222898.db2.gz MKLFGMXUAFOVNO-GFCCVEGCSA-N 0 0 320.389 3.321 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000775157873 623236488 /nfs/dbraw/zinc/23/64/88/623236488.db2.gz KXGJWKQZHNWIPD-CQSZACIVSA-N 0 0 312.816 3.291 20 10 DGCDRN C[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874187366 623247848 /nfs/dbraw/zinc/24/78/48/623247848.db2.gz AVDNEGSMAWMXDK-YPMHNXCESA-N 0 0 302.378 3.405 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(Cl)no1 ZINC000874231289 623250387 /nfs/dbraw/zinc/25/03/87/623250387.db2.gz IZRXKWVYNQDUIH-UHFFFAOYSA-N 0 0 307.781 3.056 20 10 DGCDRN C[C@H](NC(=O)c1c[nH]c2ncccc12)c1ccc(N(C)C)cc1 ZINC000775402298 623269600 /nfs/dbraw/zinc/26/96/00/623269600.db2.gz CHHDBQQFPZFWMK-LBPRGKRZSA-N 0 0 308.385 3.120 20 10 DGCDRN C[C@@H]([NH2+]CCC(C)(C)O)c1cc(Br)c(F)cc1[O-] ZINC000775586601 623293716 /nfs/dbraw/zinc/29/37/16/623293716.db2.gz TVTFFKUUEVPRTP-MRVPVSSYSA-N 0 0 320.202 3.105 20 10 DGCDRN C[C@]1(CNC(=O)C2=CC(=O)CS2)CCCc2ccccc21 ZINC000775619519 623297354 /nfs/dbraw/zinc/29/73/54/623297354.db2.gz YEDORGLXGBBTPM-QGZVFWFLSA-N 0 0 301.411 3.478 20 10 DGCDRN Oc1ccccc1CN(Cc1ccco1)c1ncnc2[nH]ccc21 ZINC000775683587 623313273 /nfs/dbraw/zinc/31/32/73/623313273.db2.gz WNLJTIMQFJLREM-UHFFFAOYSA-N 0 0 320.352 3.463 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000775700246 623316191 /nfs/dbraw/zinc/31/61/91/623316191.db2.gz JMFYTCMDMPPKIV-INIZCTEOSA-N 0 0 321.779 3.276 20 10 DGCDRN CCOC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775700275 623316318 /nfs/dbraw/zinc/31/63/18/623316318.db2.gz MRKLPCOOIDLRIS-NSHDSACASA-N 0 0 301.789 3.433 20 10 DGCDRN CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)cc(F)c1[O-] ZINC000775736008 623322329 /nfs/dbraw/zinc/32/23/29/623322329.db2.gz IVXZYFTUFVBNTA-KGLIPLIRSA-N 0 0 312.816 3.243 20 10 DGCDRN COCCOc1ccccc1NCc1cc(OC)ccc1O ZINC000775755036 623326194 /nfs/dbraw/zinc/32/61/94/623326194.db2.gz DQYHNDDBRUJRPR-UHFFFAOYSA-N 0 0 303.358 3.038 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cccc2c1OCCO2 ZINC000775763745 623327974 /nfs/dbraw/zinc/32/79/74/623327974.db2.gz VZAOMVGBJBBTQI-UHFFFAOYSA-N 0 0 305.761 3.107 20 10 DGCDRN COc1ncc(/C=C/C(=O)N(CC(C)C)c2ccccc2)cn1 ZINC000775825601 623337651 /nfs/dbraw/zinc/33/76/51/623337651.db2.gz WCOLHAXBBKTEOE-MDZDMXLPSA-N 0 0 311.385 3.188 20 10 DGCDRN COC(=O)c1sccc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775829244 623338182 /nfs/dbraw/zinc/33/81/82/623338182.db2.gz XTSXEGFPVFTGTD-LBPRGKRZSA-N 0 0 318.442 3.452 20 10 DGCDRN C[C@@H](NCc1nc(-c2ccccn2)no1)c1ccc(N(C)C)cc1 ZINC000775830048 623338420 /nfs/dbraw/zinc/33/84/20/623338420.db2.gz CAIWOYSABHPTDR-CYBMUJFWSA-N 0 0 323.400 3.048 20 10 DGCDRN C[C@@H](NCc1nnc(-c2ccco2)o1)c1ccc(N(C)C)cc1 ZINC000775832083 623338793 /nfs/dbraw/zinc/33/87/93/623338793.db2.gz XFRZPSLRJIAQJM-GFCCVEGCSA-N 0 0 312.373 3.246 20 10 DGCDRN C[C@@H](CN1CCCCC1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000775972268 623359605 /nfs/dbraw/zinc/35/96/05/623359605.db2.gz MUOFZLBWIBHAEK-NSHDSACASA-N 0 0 300.805 3.149 20 10 DGCDRN COC(=O)[C@@H]1C[C@@H](C)CCN1Cc1cc(Cl)cc(C)c1O ZINC000776004232 623363789 /nfs/dbraw/zinc/36/37/89/623363789.db2.gz ZUBSJACONAMFAD-HZMBPMFUSA-N 0 0 311.809 3.128 20 10 DGCDRN COc1cccc(C[NH2+]Cc2cccc(Cl)c2[O-])c1OC ZINC000776028216 623367541 /nfs/dbraw/zinc/36/75/41/623367541.db2.gz NPVOHBPKZCDSTE-UHFFFAOYSA-N 0 0 307.777 3.353 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@H]2C(C)C)cc1 ZINC000776042387 623369204 /nfs/dbraw/zinc/36/92/04/623369204.db2.gz OXKNWCFSKBSHCM-KRWDZBQOSA-N 0 0 303.450 3.473 20 10 DGCDRN CC(C)[C@@H]1CCN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000776041418 623369382 /nfs/dbraw/zinc/36/93/82/623369382.db2.gz LMASQHYGTSRCKS-INIZCTEOSA-N 0 0 301.434 3.009 20 10 DGCDRN CO[C@]1(C)C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1(C)C ZINC000776220060 623398410 /nfs/dbraw/zinc/39/84/10/623398410.db2.gz JTZKJLUIMBELTR-IUODEOHRSA-N 0 0 301.789 3.478 20 10 DGCDRN C[C@@H](NC(=O)N(C)CCOC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000776238053 623401049 /nfs/dbraw/zinc/40/10/49/623401049.db2.gz HWORAWAKEJMMCC-CQSZACIVSA-N 0 0 321.465 3.270 20 10 DGCDRN CC(C)[C@H](NCc1ccc(N(C)C)cc1)C(=O)OC(C)(C)C ZINC000776251767 623401584 /nfs/dbraw/zinc/40/15/84/623401584.db2.gz ZLARTKNXBPJTDH-INIZCTEOSA-N 0 0 306.450 3.209 20 10 DGCDRN C[C@H](CCc1ccco1)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875010296 623406806 /nfs/dbraw/zinc/40/68/06/623406806.db2.gz GTOPFLWZTXUVGH-GFCCVEGCSA-N 0 0 300.358 3.032 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)CSCC(F)(F)F ZINC000125248232 623408003 /nfs/dbraw/zinc/40/80/03/623408003.db2.gz XFHWGWVBWSSVHP-UHFFFAOYSA-N 0 0 321.364 3.426 20 10 DGCDRN C[C@@H](NC(=O)[C@H]1CC[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000776309742 623409595 /nfs/dbraw/zinc/40/95/95/623409595.db2.gz MLFKJLXIRCKSLS-INMHGKMJSA-N 0 0 316.445 3.137 20 10 DGCDRN Cc1ccccc1C[C@@H](C)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875117284 623418208 /nfs/dbraw/zinc/41/82/08/623418208.db2.gz DUQRYLVDJAZKKV-CQSZACIVSA-N 0 0 310.397 3.357 20 10 DGCDRN CC[C@@H](NC(=O)NCc1cc(C)ccc1O)c1nc(C)cs1 ZINC000875242315 623430082 /nfs/dbraw/zinc/43/00/82/623430082.db2.gz MBQIFOCKNOQZAK-CYBMUJFWSA-N 0 0 319.430 3.416 20 10 DGCDRN O=C(NCCCSc1nccs1)N[C@@H]1CCCC12CC2 ZINC000875374346 623443200 /nfs/dbraw/zinc/44/32/00/623443200.db2.gz ILLFUWJHKUBNEZ-LLVKDONJSA-N 0 0 311.476 3.257 20 10 DGCDRN CC(C)(NC(=O)c1cccc(O)c1O)c1ccc(Cl)cc1 ZINC000776646581 623448979 /nfs/dbraw/zinc/44/89/79/623448979.db2.gz ZPECATBSRHRGGL-UHFFFAOYSA-N 0 0 305.761 3.416 20 10 DGCDRN Cc1ccc2ncccc2c1S(=O)(=O)Nc1ccc(O)cc1 ZINC000776744877 623459147 /nfs/dbraw/zinc/45/91/47/623459147.db2.gz QAUHSFOETVREHA-UHFFFAOYSA-N 0 0 314.366 3.050 20 10 DGCDRN COc1cccc(CNc2cncc(-c3ccccc3)n2)c1O ZINC000776804519 623465148 /nfs/dbraw/zinc/46/51/48/623465148.db2.gz CDNHIKOGNJLNLG-UHFFFAOYSA-N 0 0 307.353 3.470 20 10 DGCDRN C[C@@H]1C[C@@H](CCNC(=O)N2Cc3cccc(O)c3C2)C[C@H](C)O1 ZINC000875567608 623466468 /nfs/dbraw/zinc/46/64/68/623466468.db2.gz KASGEAKZSOVAGN-BTTYYORXSA-N 0 0 318.417 3.011 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1CC=CC1 ZINC000875798128 623494571 /nfs/dbraw/zinc/49/45/71/623494571.db2.gz GMVLLRVEQNBRDL-UHFFFAOYSA-N 0 0 301.434 3.250 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC(F)(F)CC ZINC000875837173 623498626 /nfs/dbraw/zinc/49/86/26/623498626.db2.gz SNEBNHXSHDYWOU-UHFFFAOYSA-N 0 0 313.392 3.329 20 10 DGCDRN CCCc1nc(C)c(NC(=O)/C=C/c2ccc(O)c(O)c2)s1 ZINC000777398550 623520825 /nfs/dbraw/zinc/52/08/25/623520825.db2.gz HQQHAPDDSWBWMY-SOFGYWHQSA-N 0 0 318.398 3.467 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCCC3(CC3)C2)cc1 ZINC000888691958 623524210 /nfs/dbraw/zinc/52/42/10/623524210.db2.gz QGMQPHZLTDXLRK-ZDUSSCGKSA-N 0 0 300.362 3.302 20 10 DGCDRN O=C(N[C@@H]1CCCOc2cc(F)ccc21)C1=CC(=O)CS1 ZINC000777532644 623536906 /nfs/dbraw/zinc/53/69/06/623536906.db2.gz HKIULHAZRZKCME-GFCCVEGCSA-N 0 0 307.346 3.237 20 10 DGCDRN COc1cc(N(C)Cc2cccc(F)c2)cc(OC)c1OC ZINC000125732341 623537248 /nfs/dbraw/zinc/53/72/48/623537248.db2.gz RUUFSJGBMCYCLW-UHFFFAOYSA-N 0 0 305.349 3.488 20 10 DGCDRN CC(C)c1nnc2c(N[C@H](C)c3ccc(N(C)C)cc3)nccn21 ZINC000777784378 623567259 /nfs/dbraw/zinc/56/72/59/623567259.db2.gz HLPKOTGSHHCLHR-CYBMUJFWSA-N 0 0 324.432 3.487 20 10 DGCDRN C/C(=C\C(=O)N1C[C@@H](C)Cc2cccc(F)c21)c1cnccn1 ZINC000876417826 623604890 /nfs/dbraw/zinc/60/48/90/623604890.db2.gz QCNGNXRJNYEVNH-OQZOHAQUSA-N 0 0 311.360 3.244 20 10 DGCDRN C[C@H](NC(=O)c1cccc(O)c1O)c1ccccc1OC(F)F ZINC000790524863 625664576 /nfs/dbraw/zinc/66/45/76/625664576.db2.gz CUOMGRCRMFPWIB-VIFPVBQESA-N 0 0 323.295 3.190 20 10 DGCDRN C[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1[O-] ZINC000876619463 623661489 /nfs/dbraw/zinc/66/14/89/623661489.db2.gz YGYVUBUXLSNNME-LBPRGKRZSA-N 0 0 307.340 3.053 20 10 DGCDRN CCCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cccc(F)c1O ZINC000778525204 623663748 /nfs/dbraw/zinc/66/37/48/623663748.db2.gz JZTNCVBPUYWDDR-INIZCTEOSA-N 0 0 320.408 3.465 20 10 DGCDRN Cn1cc(Cl)cc1C[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876806869 623710819 /nfs/dbraw/zinc/71/08/19/623710819.db2.gz VXAZMBQJCWKYDI-UHFFFAOYSA-N 0 0 300.736 3.294 20 10 DGCDRN C/C(=C\C(=O)NCc1ccc(O)c(O)c1)c1cccc(Cl)c1 ZINC000778918486 623711213 /nfs/dbraw/zinc/71/12/13/623711213.db2.gz QTJCDQUQGYAZBH-YRNVUSSQSA-N 0 0 317.772 3.471 20 10 DGCDRN CC(C)COc1ccccc1C(=O)NCc1ccc(O)c(O)c1 ZINC000778918575 623711406 /nfs/dbraw/zinc/71/14/06/623711406.db2.gz TUBBZPLNNGUUFP-UHFFFAOYSA-N 0 0 315.369 3.063 20 10 DGCDRN Cc1cccc(O)c1CNc1ccc(N2CCOCC2)cc1C ZINC000876818258 623716347 /nfs/dbraw/zinc/71/63/47/623716347.db2.gz OOQWNGCFEOQHEX-UHFFFAOYSA-N 0 0 312.413 3.458 20 10 DGCDRN CN(CC(=O)Nc1ccccc1Cl)Cc1cc(F)ccc1O ZINC000778993398 623717192 /nfs/dbraw/zinc/71/71/92/623717192.db2.gz ROUMNLQJKARQHI-UHFFFAOYSA-N 0 0 322.767 3.255 20 10 DGCDRN CC(C)COc1ccccc1CNC(=O)c1cccc(O)c1O ZINC000790565365 625670592 /nfs/dbraw/zinc/67/05/92/625670592.db2.gz QWDZRTHFTYVBIV-UHFFFAOYSA-N 0 0 315.369 3.063 20 10 DGCDRN Oc1ccccc1CN1CCc2c(ncn2-c2ccccc2)C1 ZINC000779144427 623735291 /nfs/dbraw/zinc/73/52/91/623735291.db2.gz YJCVVQZUELOEOY-UHFFFAOYSA-N 0 0 305.381 3.136 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1cccc(Cl)c1[O-] ZINC000806148080 623745764 /nfs/dbraw/zinc/74/57/64/623745764.db2.gz QHHDYKFCJBWNPC-RISCZKNCSA-N 0 0 324.852 3.486 20 10 DGCDRN CN1CN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1=O ZINC000779350608 623762583 /nfs/dbraw/zinc/76/25/83/623762583.db2.gz MGSAALWUBQLGRQ-UHFFFAOYSA-N 0 0 323.356 3.365 20 10 DGCDRN CCN(C)c1ccccc1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877011322 623765863 /nfs/dbraw/zinc/76/58/63/623765863.db2.gz AOHHQEAZEKLJQV-UHFFFAOYSA-N 0 0 306.356 3.416 20 10 DGCDRN CCC[C@@](C)(NCc1ccc(N(CC)CC)cc1)C(=O)OC ZINC000779431432 623769267 /nfs/dbraw/zinc/76/92/67/623769267.db2.gz FINPEWJLSXMVIQ-GOSISDBHSA-N 0 0 306.450 3.354 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCC1(c2ccccc2)CCC1 ZINC000779474534 623773280 /nfs/dbraw/zinc/77/32/80/623773280.db2.gz AOSRJDVZKUYHLI-CSKARUKUSA-N 0 0 323.392 3.349 20 10 DGCDRN CC(C)CCn1nccc1NC(=O)N(C)Cc1ccccc1O ZINC000779471507 623773338 /nfs/dbraw/zinc/77/33/38/623773338.db2.gz RFDAUQFJVFTSNQ-UHFFFAOYSA-N 0 0 316.405 3.299 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(N2CCCC2)c1 ZINC000779479652 623774229 /nfs/dbraw/zinc/77/42/29/623774229.db2.gz MGSPOZPQUXDLLI-CLFYSBASSA-N 0 0 324.380 3.350 20 10 DGCDRN C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1c(F)cccc1F ZINC000779501068 623775245 /nfs/dbraw/zinc/77/52/45/623775245.db2.gz UCHQJCZTYVBKPD-QEHWCHDUSA-N 0 0 319.307 3.267 20 10 DGCDRN CC(C)N(Cc1ccco1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779504554 623775990 /nfs/dbraw/zinc/77/59/90/623775990.db2.gz AYWRHYCZJSLEQV-SOFGYWHQSA-N 0 0 301.342 3.141 20 10 DGCDRN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779518032 623776572 /nfs/dbraw/zinc/77/65/72/623776572.db2.gz VHIIDCLBKTZIFD-STWKIGSYSA-N 0 0 309.365 3.161 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H]1CCc2ccccc2C1 ZINC000779521637 623776785 /nfs/dbraw/zinc/77/67/85/623776785.db2.gz YWRLAQIWZORMBV-XMELGKRDSA-N 0 0 323.392 3.032 20 10 DGCDRN CCOc1ccc(N(C)C(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000779519342 623776867 /nfs/dbraw/zinc/77/68/67/623776867.db2.gz KRAPUORRJRCWGR-WZUFQYTHSA-N 0 0 313.353 3.173 20 10 DGCDRN Cc1ccc2c(c1)[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)CC2 ZINC000779513698 623776872 /nfs/dbraw/zinc/77/68/72/623776872.db2.gz IIDSANKTKAPBRE-SGNXQUTQSA-N 0 0 309.365 3.223 20 10 DGCDRN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779518033 623776897 /nfs/dbraw/zinc/77/68/97/623776897.db2.gz VHIIDCLBKTZIFD-YPXWSCPJSA-N 0 0 309.365 3.161 20 10 DGCDRN [O-]c1c(C[NH2+][C@H](CCCO)c2ccccc2)ccc(F)c1F ZINC000877056967 623777901 /nfs/dbraw/zinc/77/79/01/623777901.db2.gz YIVNFXFSGLUPCG-OAHLLOKOSA-N 0 0 307.340 3.274 20 10 DGCDRN CN(C(=O)c1cn(C)nc1C1CCCCC1)c1ccc(N)cc1 ZINC000877078614 623785893 /nfs/dbraw/zinc/78/58/93/623785893.db2.gz WTZSYMZHJIYRGX-UHFFFAOYSA-N 0 0 312.417 3.327 20 10 DGCDRN CCCN(CC)c1ccc(C(=O)N(C)c2ccc(N)cc2)cn1 ZINC000877077345 623785901 /nfs/dbraw/zinc/78/59/01/623785901.db2.gz DUINUOACAQZPKS-UHFFFAOYSA-N 0 0 312.417 3.177 20 10 DGCDRN Cc1nn(C(C)(C)C)c(C)c1C(=O)N(C)c1ccc(N)cc1 ZINC000877080940 623786371 /nfs/dbraw/zinc/78/63/71/623786371.db2.gz RVRKLSPOADGVTG-UHFFFAOYSA-N 0 0 300.406 3.114 20 10 DGCDRN [O-]c1c(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)ccc(F)c1F ZINC000877117824 623795076 /nfs/dbraw/zinc/79/50/76/623795076.db2.gz YIENXIBCIORMEB-IUIKQTSFSA-N 0 0 309.356 3.108 20 10 DGCDRN [O-]c1c(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)ccc(F)c1F ZINC000877117825 623795160 /nfs/dbraw/zinc/79/51/60/623795160.db2.gz YIENXIBCIORMEB-LYRGGWFBSA-N 0 0 309.356 3.108 20 10 DGCDRN Cc1ccc(C(F)(F)C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000779747051 623795653 /nfs/dbraw/zinc/79/56/53/623795653.db2.gz PAIAGITUAFDJEJ-UHFFFAOYSA-N 0 0 318.367 3.469 20 10 DGCDRN [O-]c1c(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)ccc(F)c1F ZINC000877129440 623798840 /nfs/dbraw/zinc/79/88/40/623798840.db2.gz MEPLVICEUODXGF-GYSYKLTISA-N 0 0 317.426 3.140 20 10 DGCDRN [O-]c1c(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)ccc(F)c1F ZINC000877129443 623798868 /nfs/dbraw/zinc/79/88/68/623798868.db2.gz MEPLVICEUODXGF-UHIISALHSA-N 0 0 317.426 3.140 20 10 DGCDRN CCCCn1cc(C[NH2+]Cc2ccc(F)c(F)c2[O-])c(C)n1 ZINC000877132986 623799579 /nfs/dbraw/zinc/79/95/79/623799579.db2.gz SPGRTTFIXXAHJA-UHFFFAOYSA-N 0 0 309.360 3.265 20 10 DGCDRN CN(C)[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])c1cccs1 ZINC000877142313 623805326 /nfs/dbraw/zinc/80/53/26/623805326.db2.gz NMXSSKSCCSIYCN-LBPRGKRZSA-N 0 0 312.385 3.124 20 10 DGCDRN CCc1cccnc1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877162375 623812487 /nfs/dbraw/zinc/81/24/87/623812487.db2.gz ZFNVLEUCNMQFJD-UHFFFAOYSA-N 0 0 311.429 3.217 20 10 DGCDRN OC1CCN(c2ccc(CN3CCOc4ccccc43)cc2)CC1 ZINC000877179878 623819006 /nfs/dbraw/zinc/81/90/06/623819006.db2.gz ANTTUAIQOMHJOP-UHFFFAOYSA-N 0 0 324.424 3.047 20 10 DGCDRN COc1ccc(N(C)C[C@H](OC)C2CCOCC2)cc1Cl ZINC000877182252 623819482 /nfs/dbraw/zinc/81/94/82/623819482.db2.gz WQZGHDPJVRBNEV-INIZCTEOSA-N 0 0 313.825 3.226 20 10 DGCDRN COc1cccc(CNC(=O)Cc2ccc(Cl)c(F)c2)c1O ZINC000790633179 625679516 /nfs/dbraw/zinc/67/95/16/625679516.db2.gz VGEGOFFPIJZXAT-UHFFFAOYSA-N 0 0 323.751 3.052 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)ccc(F)c1F ZINC000877401210 623869275 /nfs/dbraw/zinc/86/92/75/623869275.db2.gz ZQAIOFLZHYUMPC-SFHVURJKSA-N 0 0 317.335 3.302 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC(C)(C)CC(F)(F)F)cc1 ZINC000780183694 623873560 /nfs/dbraw/zinc/87/35/60/623873560.db2.gz IKPRDLSMSHSFRH-UHFFFAOYSA-N 0 0 317.355 3.283 20 10 DGCDRN COCC1([NH2+]Cc2cc(C)cc(Br)c2[O-])CCC1 ZINC000790652939 625683526 /nfs/dbraw/zinc/68/35/26/625683526.db2.gz VFUDAYUJLXHNDO-UHFFFAOYSA-N 0 0 314.223 3.122 20 10 DGCDRN Cc1ccc(CNc2cc(N3CCNC3=O)ccc2C)c(O)c1 ZINC000877483682 623905686 /nfs/dbraw/zinc/90/56/86/623905686.db2.gz PEUUGXLPRHMECU-UHFFFAOYSA-N 0 0 311.385 3.151 20 10 DGCDRN CCCCN(Cc1cn(CCC)nn1)Cc1ccccc1O ZINC000877503469 623915299 /nfs/dbraw/zinc/91/52/99/623915299.db2.gz MWNPHCKDTSUPKF-UHFFFAOYSA-N 0 0 302.422 3.196 20 10 DGCDRN [O-]c1c(C[NH2+][C@H]2CCN(c3ccccc3F)C2)ccc(F)c1F ZINC000877546627 623936276 /nfs/dbraw/zinc/93/62/76/623936276.db2.gz UZMIJRLRHSITBW-LBPRGKRZSA-N 0 0 322.330 3.178 20 10 DGCDRN Cc1c(NCc2c(C)cccc2O)cnn1C1CCOCC1 ZINC000877557834 623940255 /nfs/dbraw/zinc/94/02/55/623940255.db2.gz YDDXAXSYKAULHN-UHFFFAOYSA-N 0 0 301.390 3.169 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@@H]2CCC=CO2)c1 ZINC000780568172 623953052 /nfs/dbraw/zinc/95/30/52/623953052.db2.gz XPYCOHLRWSTTIZ-LBPRGKRZSA-N 0 0 312.207 3.245 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@H]2CCC=CO2)c1 ZINC000780568171 623953289 /nfs/dbraw/zinc/95/32/89/623953289.db2.gz XPYCOHLRWSTTIZ-GFCCVEGCSA-N 0 0 312.207 3.245 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@H](C(C)C)C2)cc1OC ZINC000780638324 623962890 /nfs/dbraw/zinc/96/28/90/623962890.db2.gz AHMGRAZTOKYSND-LBPRGKRZSA-N 0 0 308.378 3.484 20 10 DGCDRN [O-]c1c(C[NH2+][C@@H]2CCN(C3CCCCC3)C2)ccc(F)c1F ZINC000877631540 623970687 /nfs/dbraw/zinc/97/06/87/623970687.db2.gz VOYAXVWXPXUHIC-CYBMUJFWSA-N 0 0 310.388 3.167 20 10 DGCDRN [O-]c1c(C[NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)ccc(F)c1F ZINC000877639792 623974642 /nfs/dbraw/zinc/97/46/42/623974642.db2.gz GABBZKYMESZEOT-JGGQBBKZSA-N 0 0 305.299 3.237 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H](OCc2ccccn2)C1 ZINC000877645507 623976690 /nfs/dbraw/zinc/97/66/90/623976690.db2.gz NJTBFSOUCOAMFE-OAHLLOKOSA-N 0 0 318.804 3.232 20 10 DGCDRN COCCOCc1ccc(NCc2c(C)cccc2O)cc1 ZINC000877657625 623980924 /nfs/dbraw/zinc/98/09/24/623980924.db2.gz GFRIBPPVMXZKKT-UHFFFAOYSA-N 0 0 301.386 3.476 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1c[nH]nc1-c1cccnc1 ZINC000780766090 623981516 /nfs/dbraw/zinc/98/15/16/623981516.db2.gz DTTJOBVLGXISNL-UHFFFAOYSA-N 0 0 320.396 3.433 20 10 DGCDRN COc1ccc(N(C)Cc2ccccc2-n2cncn2)cc1F ZINC000780779389 623982345 /nfs/dbraw/zinc/98/23/45/623982345.db2.gz ASPGUSLXUNBKDG-UHFFFAOYSA-N 0 0 312.348 3.051 20 10 DGCDRN COc1ccsc1CN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000780773964 623982454 /nfs/dbraw/zinc/98/24/54/623982454.db2.gz FPMAACLQRVJKGW-UHFFFAOYSA-N 0 0 323.414 3.419 20 10 DGCDRN COc1ccc(N2CCC(Nc3cncc(OC)c3)CC2)cc1 ZINC000877664872 623983809 /nfs/dbraw/zinc/98/38/09/623983809.db2.gz XCBCWYLBHQKMLQ-UHFFFAOYSA-N 0 0 313.401 3.180 20 10 DGCDRN CC[C@@](NCc1ccc(C)cc1O)(C(=O)OC)c1ccccc1 ZINC000877674803 623988223 /nfs/dbraw/zinc/98/82/23/623988223.db2.gz KOAIOMBZMQJOHM-IBGZPJMESA-N 0 0 313.397 3.269 20 10 DGCDRN CCN(C(=O)c1ccc(C)c(O)c1O)c1ccc(OC)cc1 ZINC000780888931 623994206 /nfs/dbraw/zinc/99/42/06/623994206.db2.gz ZCAYMHQDGLRUKU-UHFFFAOYSA-N 0 0 301.342 3.082 20 10 DGCDRN Cc1ccc(C(=O)N(C)C2C3CC4CC(C3)CC2C4)c(O)c1O ZINC000780886652 623994568 /nfs/dbraw/zinc/99/45/68/623994568.db2.gz CJFKQDTVOUPVEC-UHFFFAOYSA-N 0 0 315.413 3.303 20 10 DGCDRN Cc1ccc(C(=O)NC[C@H](C)c2ccc(F)cc2)c(O)c1O ZINC000780907683 623996352 /nfs/dbraw/zinc/99/63/52/623996352.db2.gz VPOXAMZLOKGWEQ-NSHDSACASA-N 0 0 303.333 3.079 20 10 DGCDRN Cc1ccc(C(=O)N2CC[C@H](c3ccccc3C)C2)c(O)c1O ZINC000780919482 623998117 /nfs/dbraw/zinc/99/81/17/623998117.db2.gz JJAZKCWNGHKRPV-AWEZNQCLSA-N 0 0 311.381 3.344 20 10 DGCDRN CCN(CC)c1ncc(CN2Cc3cccc(O)c3C2)s1 ZINC000877703749 623998871 /nfs/dbraw/zinc/99/88/71/623998871.db2.gz SFTDTFGEPQAGDK-UHFFFAOYSA-N 0 0 303.431 3.211 20 10 DGCDRN CCOCc1cc(CN2Cc3cccc(O)c3C2)ccc1OC ZINC000877703478 623998987 /nfs/dbraw/zinc/99/89/87/623998987.db2.gz LHMKCIRZSZWAHZ-UHFFFAOYSA-N 0 0 313.397 3.453 20 10 DGCDRN COC(=O)C[C@@](C)([NH2+]Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000877707484 623999797 /nfs/dbraw/zinc/99/97/97/623999797.db2.gz UNIGOHNEIBHLNI-OAHLLOKOSA-N 0 0 315.772 3.006 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccc(OCC3CC3)cc2)c(O)c1O ZINC000780940474 624000984 /nfs/dbraw/zinc/00/09/84/624000984.db2.gz VLJOBIDHMZWJGT-UHFFFAOYSA-N 0 0 313.353 3.447 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000877711055 624001040 /nfs/dbraw/zinc/00/10/40/624001040.db2.gz VOSVWSACWJNJCJ-ZBEGNZNMSA-N 0 0 313.800 3.480 20 10 DGCDRN Cc1ccc(C(=O)N2CCc3cc(F)ccc3[C@@H]2C)c(O)c1O ZINC000780948645 624002616 /nfs/dbraw/zinc/00/26/16/624002616.db2.gz UXMZCASBKMGHJD-NSHDSACASA-N 0 0 315.344 3.305 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)Nc2conc2C)cc1 ZINC000888750606 624005790 /nfs/dbraw/zinc/00/57/90/624005790.db2.gz BHSZNAMMJKIJME-UHFFFAOYSA-N 0 0 302.378 3.151 20 10 DGCDRN Cc1ccc(C(=O)Nc2nc3ccccc3n2C2CC2)c(O)c1O ZINC000780994530 624008402 /nfs/dbraw/zinc/00/84/02/624008402.db2.gz FSMMLHRYAXSKHK-UHFFFAOYSA-N 0 0 323.352 3.343 20 10 DGCDRN CC(C)(O)[C@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000877796606 624037752 /nfs/dbraw/zinc/03/77/52/624037752.db2.gz KHCADOQXTAAERC-JTQLQIEISA-N 0 0 301.789 3.168 20 10 DGCDRN CC(C)(O)[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000877795850 624037815 /nfs/dbraw/zinc/03/78/15/624037815.db2.gz XVJYBFLGVGQZOQ-LLVKDONJSA-N 0 0 301.789 3.168 20 10 DGCDRN Cc1nscc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000781325025 624055275 /nfs/dbraw/zinc/05/52/75/624055275.db2.gz QDCOFSMQQDWNFB-UHFFFAOYSA-N 0 0 315.442 3.372 20 10 DGCDRN Cc1cc(O)c([C@H]2NC(=O)c3ccc(F)cc3N2)cc1Cl ZINC000877847655 624068150 /nfs/dbraw/zinc/06/81/50/624068150.db2.gz CJSJRVHILFZTMP-CQSZACIVSA-N 0 0 306.724 3.347 20 10 DGCDRN O=C1N[C@@H](c2cc(Cl)c(F)cc2O)Nc2cc(F)ccc21 ZINC000877849224 624068301 /nfs/dbraw/zinc/06/83/01/624068301.db2.gz SAPUFVVBGINOGS-ZDUSSCGKSA-N 0 0 310.687 3.178 20 10 DGCDRN Cc1cc(O)c([C@H]2NC(C)(C)C(=O)N2CC(C)(C)C)cc1C ZINC000877856592 624070359 /nfs/dbraw/zinc/07/03/59/624070359.db2.gz FNUODKOPPJBZCK-HNNXBMFYSA-N 0 0 304.434 3.264 20 10 DGCDRN CCN(Cc1cn(C)nn1)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000781580181 624097384 /nfs/dbraw/zinc/09/73/84/624097384.db2.gz UQKZQXUZWFCYLV-UHFFFAOYSA-N 0 0 316.449 3.149 20 10 DGCDRN CC[C@](C)(CCO)[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000781635449 624110149 /nfs/dbraw/zinc/11/01/49/624110149.db2.gz NMHHXOBFCKTVAD-CQSZACIVSA-N 0 0 316.239 3.104 20 10 DGCDRN Cc1cc(C(=O)N(C)[C@H](C)CO)c(C)n1-c1ccc(Cl)cc1 ZINC000126855354 624141263 /nfs/dbraw/zinc/14/12/63/624141263.db2.gz IGCPJKYELWCFCN-GFCCVEGCSA-N 0 0 320.820 3.200 20 10 DGCDRN CCOc1ccc(N(C)C[C@H]2CCC3(CCOCC3)O2)cc1 ZINC000878126622 624179984 /nfs/dbraw/zinc/17/99/84/624179984.db2.gz YBUVOJUYMSLEJS-QGZVFWFLSA-N 0 0 305.418 3.250 20 10 DGCDRN CCOC[C@@H](O)CN(C)c1ccc(OCc2ccccc2)cc1 ZINC000781962689 624180142 /nfs/dbraw/zinc/18/01/42/624180142.db2.gz CPNCIFZRFFRFGZ-SFHVURJKSA-N 0 0 315.413 3.099 20 10 DGCDRN COC(=O)[C@H](C1CC1)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000782034552 624191878 /nfs/dbraw/zinc/19/18/78/624191878.db2.gz WCUSSEHGRVOFDX-SFHVURJKSA-N 0 0 316.445 3.060 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C2(SC)CCC2)cc1 ZINC000782670563 624272932 /nfs/dbraw/zinc/27/29/32/624272932.db2.gz HAMPUYNAXJFEMJ-UHFFFAOYSA-N 0 0 306.475 3.435 20 10 DGCDRN CN1C(=O)/C(=C\c2cc(Cl)cc3c2OCC3)SC1=S ZINC000782878976 624287060 /nfs/dbraw/zinc/28/70/60/624287060.db2.gz CPUSEQKXORBALN-UXBLZVDNSA-N 0 0 311.815 3.106 20 10 DGCDRN C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)c1cccc(O)c1O ZINC000790882405 625712236 /nfs/dbraw/zinc/71/22/36/625712236.db2.gz NJQLHGVTSACTJM-VIFPVBQESA-N 0 0 319.307 3.136 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ncsc2C2CC2)c1 ZINC000878730426 624349420 /nfs/dbraw/zinc/34/94/20/624349420.db2.gz HKTBAQNBIAVDGM-SECBINFHSA-N 0 0 318.398 3.226 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)C[C@H](C)O)c(C)n1-c1ccccc1C ZINC000783628245 624376610 /nfs/dbraw/zinc/37/66/10/624376610.db2.gz APEKNOVFTJWZKR-HIFRSBDPSA-N 0 0 314.429 3.292 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)C[C@@H](C)O)c(C)n1-c1ccccc1C ZINC000783628243 624376889 /nfs/dbraw/zinc/37/68/89/624376889.db2.gz APEKNOVFTJWZKR-DZGCQCFKSA-N 0 0 314.429 3.292 20 10 DGCDRN C[C@@H](N[C@@H](C)c1ccccc1O)c1ncc(Br)cn1 ZINC000805749219 624378392 /nfs/dbraw/zinc/37/83/92/624378392.db2.gz WQGUVPNQGAOWHK-VHSXEESVSA-N 0 0 322.206 3.357 20 10 DGCDRN COc1ccc(CN[C@@H](c2cnn(C)c2)C(F)(F)F)cc1C ZINC000783671071 624381929 /nfs/dbraw/zinc/38/19/29/624381929.db2.gz DKYBZKKGNJNQCG-AWEZNQCLSA-N 0 0 313.323 3.130 20 10 DGCDRN CN1CCCC(C)(C)[C@@H]1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000790928583 625716486 /nfs/dbraw/zinc/71/64/86/625716486.db2.gz VVYKXYOKFFKWOD-AWEZNQCLSA-N 0 0 314.832 3.395 20 10 DGCDRN Cc1ccncc1/C=C\C(=O)N1CCc2cc(F)c(F)cc21 ZINC000783907272 624407751 /nfs/dbraw/zinc/40/77/51/624407751.db2.gz QRCCNJOMPJVUQC-IHWYPQMZSA-N 0 0 300.308 3.271 20 10 DGCDRN CCOc1ccc(N(Cc2nc(COC)no2)CC2CC2)cc1 ZINC000879117132 624431389 /nfs/dbraw/zinc/43/13/89/624431389.db2.gz JWDWYNGAJKJDEC-UHFFFAOYSA-N 0 0 317.389 3.031 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCc1csc(C2CC2)n1 ZINC000784288002 624482526 /nfs/dbraw/zinc/48/25/26/624482526.db2.gz WQFUECHZEQLFQN-QHHAFSJGSA-N 0 0 317.366 3.188 20 10 DGCDRN CC(C)c1nn(C)cc1NC(=O)N[C@H](C)c1ccccc1O ZINC000879458266 624556236 /nfs/dbraw/zinc/55/62/36/624556236.db2.gz LQVYNCHUPQVFKJ-LLVKDONJSA-N 0 0 302.378 3.132 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)C1CCC1 ZINC000127779523 624560940 /nfs/dbraw/zinc/56/09/40/624560940.db2.gz FFIAGTBEYPABSU-AWEZNQCLSA-N 0 0 303.450 3.473 20 10 DGCDRN Cc1ccc(Br)c(C(=O)NCc2ccccc2O)c1 ZINC000127829545 624580127 /nfs/dbraw/zinc/58/01/27/624580127.db2.gz OELPCSBXUBSZOG-UHFFFAOYSA-N 0 0 320.186 3.393 20 10 DGCDRN CC(=O)c1nc(NC(=O)N[C@@H](C)c2ccccc2O)sc1C ZINC000879765604 624670008 /nfs/dbraw/zinc/67/00/08/624670008.db2.gz GLFVOHJXMRWQAX-QMMMGPOBSA-N 0 0 319.386 3.242 20 10 DGCDRN CN(C)c1ccc(CNc2ccc3ccc(=O)n(C)c3c2)cc1 ZINC000785534826 624683220 /nfs/dbraw/zinc/68/32/20/624683220.db2.gz OGFMAZHEUFYVDK-UHFFFAOYSA-N 0 0 307.397 3.217 20 10 DGCDRN Cc1ccc(O)c(CNc2cccc(N3CCNC3=O)c2C)c1 ZINC000785553006 624685596 /nfs/dbraw/zinc/68/55/96/624685596.db2.gz CMVJMAYPFXNCEJ-UHFFFAOYSA-N 0 0 311.385 3.151 20 10 DGCDRN COc1ccc(NCc2cc(C)c(C)cc2O)cc1NC(N)=O ZINC000785559205 624687015 /nfs/dbraw/zinc/68/70/15/624687015.db2.gz FOOFEWRBDBJBIF-UHFFFAOYSA-N 0 0 315.373 3.120 20 10 DGCDRN CCC1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000128031760 624692069 /nfs/dbraw/zinc/69/20/69/624692069.db2.gz XHJVVMCTYBPGND-UHFFFAOYSA-N 0 0 313.445 3.394 20 10 DGCDRN CN(C)c1ccc(CN(c2ncncc2Cl)C2CC2)cc1 ZINC000786778238 624953056 /nfs/dbraw/zinc/95/30/56/624953056.db2.gz ZYHPMITXWTXERB-UHFFFAOYSA-N 0 0 302.809 3.365 20 10 DGCDRN COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C(C)C)C(F)(F)F)c1 ZINC000786972598 624969356 /nfs/dbraw/zinc/96/93/56/624969356.db2.gz DYYCYCPOUUJKSE-ZANVPECISA-N 0 0 319.323 3.416 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1ncsc1C1CC1 ZINC000880540024 624974339 /nfs/dbraw/zinc/97/43/39/624974339.db2.gz PEYUUTBOPONYPU-UHFFFAOYSA-N 0 0 308.790 3.310 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCC(C)(C)O ZINC000787099432 624979326 /nfs/dbraw/zinc/97/93/26/624979326.db2.gz LHIZRHVMSADDGP-UHFFFAOYSA-N 0 0 306.450 3.041 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)CCCc1ccc(O)c(F)c1 ZINC000787121874 624980979 /nfs/dbraw/zinc/98/09/79/624980979.db2.gz QQXHXYPEKQDNLV-UHFFFAOYSA-N 0 0 317.360 3.218 20 10 DGCDRN CC(C)C[C@H](CO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788564611 625216998 /nfs/dbraw/zinc/21/69/98/625216998.db2.gz WTXAQMPRUJIHBT-WDEREUQCSA-N 0 0 305.340 3.469 20 10 DGCDRN C[C@H](O)CCC[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000788604266 625224892 /nfs/dbraw/zinc/22/48/92/625224892.db2.gz JGIRTHKKNHAORR-IUCAKERBSA-N 0 0 320.202 3.105 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1cccc(C(F)(F)F)c1[O-] ZINC000788646184 625234930 /nfs/dbraw/zinc/23/49/30/625234930.db2.gz BKDRZJFGDLXNQG-WDEREUQCSA-N 0 0 313.323 3.347 20 10 DGCDRN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000788690282 625245516 /nfs/dbraw/zinc/24/55/16/625245516.db2.gz HYTKCSUDOSMQSI-QLFBSQMISA-N 0 0 303.450 3.329 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000788774372 625262421 /nfs/dbraw/zinc/26/24/21/625262421.db2.gz CREUKYHKKZBQJP-HBNTYKKESA-N 0 0 303.324 3.223 20 10 DGCDRN CCOC[C@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000788834728 625278535 /nfs/dbraw/zinc/27/85/35/625278535.db2.gz YCHKGLAAEASJPN-PBHICJAKSA-N 0 0 321.465 3.174 20 10 DGCDRN Cc1ccc(SC[C@@H](C)NC(=O)c2cccc(O)c2O)cc1 ZINC000790936450 625719114 /nfs/dbraw/zinc/71/91/14/625719114.db2.gz DFCDSJVZWADONX-GFCCVEGCSA-N 0 0 317.410 3.317 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000790947584 625721148 /nfs/dbraw/zinc/72/11/48/625721148.db2.gz SYWBWOJZDKUKRL-SNVBAGLBSA-N 0 0 323.751 3.114 20 10 DGCDRN C[C@@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)N1CCC(C)CC1 ZINC000790962791 625723917 /nfs/dbraw/zinc/72/39/17/625723917.db2.gz SCCKINTYZWCJFG-LBPRGKRZSA-N 0 0 314.832 3.395 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1cccc2c1OCCO2 ZINC000790965741 625724401 /nfs/dbraw/zinc/72/44/01/625724401.db2.gz YTBMUVWWGKBZHK-UHFFFAOYSA-N 0 0 323.751 3.246 20 10 DGCDRN CCC1(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CCOCC1 ZINC000790971187 625725383 /nfs/dbraw/zinc/72/53/83/625725383.db2.gz QRHMXAGQAOXGOF-UHFFFAOYSA-N 0 0 301.789 3.481 20 10 DGCDRN CC1(C)[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)[C@@H]2CCCO[C@@H]21 ZINC000790973468 625726736 /nfs/dbraw/zinc/72/67/36/625726736.db2.gz PEYKDIDUACQPFB-AMFBXLIHSA-N 0 0 313.800 3.478 20 10 DGCDRN O=[N+]([O-])c1cccc(CC[NH2+]Cc2c([O-])ccc(Cl)c2F)c1 ZINC000790980127 625728515 /nfs/dbraw/zinc/72/85/15/625728515.db2.gz IIYMETYUTXGEAN-UHFFFAOYSA-N 0 0 324.739 3.425 20 10 DGCDRN CC(C)[C@H]1C[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CCO1 ZINC000790982732 625729368 /nfs/dbraw/zinc/72/93/68/625729368.db2.gz XNACOSFLAXEYFG-QMTHXVAHSA-N 0 0 301.789 3.478 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCc1ccc(CO)cc1 ZINC000790991530 625732120 /nfs/dbraw/zinc/73/21/20/625732120.db2.gz XMDSHSKJUVEFMU-UHFFFAOYSA-N 0 0 309.768 3.009 20 10 DGCDRN COc1cccc(S(=O)(=O)Nc2ccc(O)c(C(C)C)c2)c1 ZINC000882798839 625819603 /nfs/dbraw/zinc/81/96/03/625819603.db2.gz GBAZFCIHUWJYDM-UHFFFAOYSA-N 0 0 321.398 3.325 20 10 DGCDRN COc1ccc(S(=O)(=O)Nc2ccc(O)c(C(C)C)c2)cc1 ZINC000882798383 625819766 /nfs/dbraw/zinc/81/97/66/625819766.db2.gz IUHIDEOIBITCBO-UHFFFAOYSA-N 0 0 321.398 3.325 20 10 DGCDRN CC[C@@H](C)n1ncc(NC(=O)c2ccc(C)c(O)c2O)c1C ZINC000791585940 625829993 /nfs/dbraw/zinc/82/99/93/625829993.db2.gz WRWOUOJDXBFEAC-SNVBAGLBSA-N 0 0 303.362 3.134 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000882991304 625887893 /nfs/dbraw/zinc/88/78/93/625887893.db2.gz UTDCANIVEIVJEQ-CQSZACIVSA-N 0 0 309.287 3.423 20 10 DGCDRN Cc1nc2cc(C(=O)N(C)Cc3ccc(N(C)C)cc3)ccc2o1 ZINC000792034969 625902625 /nfs/dbraw/zinc/90/26/25/625902625.db2.gz HHIXQOZKCOTDPU-UHFFFAOYSA-N 0 0 323.396 3.474 20 10 DGCDRN CC(C)C[C@H](C)NC(=O)NCCCSc1nccs1 ZINC000130868193 625912471 /nfs/dbraw/zinc/91/24/71/625912471.db2.gz OBEOHBVIOXKGJW-NSHDSACASA-N 0 0 301.481 3.359 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCc2ccc(O)cc2CC1 ZINC000792166336 625918668 /nfs/dbraw/zinc/91/86/68/625918668.db2.gz XUBOKCSJJZZPBV-UHFFFAOYSA-N 0 0 321.779 3.491 20 10 DGCDRN COC(=O)C1(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CCCC1 ZINC000792174242 625919333 /nfs/dbraw/zinc/91/93/33/625919333.db2.gz OSYGJLNGOPHAPV-UHFFFAOYSA-N 0 0 315.772 3.008 20 10 DGCDRN CN(C)CC[N@H+](Cc1c([O-])ccc(Cl)c1F)C1CCCC1 ZINC000792174578 625919674 /nfs/dbraw/zinc/91/96/74/625919674.db2.gz JQJCKBGJNBTMMX-UHFFFAOYSA-N 0 0 314.832 3.491 20 10 DGCDRN CO[C@@]1(C)CCCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000792179002 625920424 /nfs/dbraw/zinc/92/04/24/625920424.db2.gz MOCSHFGNVLFLJD-KDOFPFPSSA-N 0 0 319.449 3.024 20 10 DGCDRN C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000792180744 625921219 /nfs/dbraw/zinc/92/12/19/625921219.db2.gz STIBFZZSQQDHII-NRUUGDAUSA-N 0 0 301.789 3.166 20 10 DGCDRN C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000792180738 625921585 /nfs/dbraw/zinc/92/15/85/625921585.db2.gz STIBFZZSQQDHII-GBIKHYSHSA-N 0 0 301.789 3.166 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCC1(C)CC1 ZINC000792198590 625924737 /nfs/dbraw/zinc/92/47/37/625924737.db2.gz DXTBEEWCKUJCNS-UHFFFAOYSA-N 0 0 303.450 3.474 20 10 DGCDRN Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2cc(F)cc(F)c2[O-])c1 ZINC000883112165 625931108 /nfs/dbraw/zinc/93/11/08/625931108.db2.gz BOADKUXNGPYVEA-INIZCTEOSA-N 0 0 307.340 3.110 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2ncccc2O)cc1 ZINC000792609912 625965379 /nfs/dbraw/zinc/96/53/79/625965379.db2.gz LPYYHSWBCDUAOE-UHFFFAOYSA-N 0 0 321.380 3.125 20 10 DGCDRN C[C@@H](NCc1ncc(CN(C)C)s1)c1ccc(N(C)C)cc1 ZINC000796351074 626041497 /nfs/dbraw/zinc/04/14/97/626041497.db2.gz DUXCMCRKKYHGIO-CYBMUJFWSA-N 0 0 318.490 3.122 20 10 DGCDRN CC[C@H]([NH2+]Cc1ccc(C(=O)NC)cc1)c1ccc(F)cc1[O-] ZINC000796696805 626074059 /nfs/dbraw/zinc/07/40/59/626074059.db2.gz TVBUTBAFJYDGJZ-INIZCTEOSA-N 0 0 316.376 3.132 20 10 DGCDRN O=C(CCC(F)F)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000796773622 626080879 /nfs/dbraw/zinc/08/08/79/626080879.db2.gz APPAECUNGIGMBG-UHFFFAOYSA-N 0 0 316.311 3.380 20 10 DGCDRN CC[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccc(F)cc1[O-] ZINC000796837322 626088097 /nfs/dbraw/zinc/08/80/97/626088097.db2.gz WOFGEKQBNWATDA-GOEBONIOSA-N 0 0 323.408 3.300 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1ccc(F)cc1[O-] ZINC000796841345 626088875 /nfs/dbraw/zinc/08/88/75/626088875.db2.gz SDYRSYRVOVXJRB-MJGOQNOKSA-N 0 0 315.388 3.406 20 10 DGCDRN CC[C@@H]([NH2+]CCc1ccc(CO)cc1)c1ccc(F)cc1[O-] ZINC000796855894 626090541 /nfs/dbraw/zinc/09/05/41/626090541.db2.gz RPJFTIRPXMUOJA-QGZVFWFLSA-N 0 0 303.377 3.307 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1ccc(F)cc1[O-] ZINC000797131396 626116889 /nfs/dbraw/zinc/11/68/89/626116889.db2.gz GBRRZZIMBCFZDQ-AMXDTQDGSA-N 0 0 321.417 3.261 20 10 DGCDRN C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000797422890 626141831 /nfs/dbraw/zinc/14/18/31/626141831.db2.gz ZXMWTHUVPLTXBR-JVPBZIDWSA-N 0 0 308.425 3.419 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[C@H]2C2CC2)cc1F ZINC000797454010 626144452 /nfs/dbraw/zinc/14/44/52/626144452.db2.gz XCHGLNWBBQVKRO-GOEBONIOSA-N 0 0 319.424 3.270 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NC[C@@H]2CCC[C@@H](C)[C@H]2C)c1 ZINC000797458518 626144470 /nfs/dbraw/zinc/14/44/70/626144470.db2.gz NCGVOTJBXBGOET-MCIONIFRSA-N 0 0 320.433 3.272 20 10 DGCDRN COc1ccc(CNC(=O)Nc2cccc(F)c2C)c(O)c1 ZINC000797632854 626160951 /nfs/dbraw/zinc/16/09/51/626160951.db2.gz OPLIWEHOQLBVSQ-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN CCCc1csc(NC(=O)NCc2ccc(OC)cc2O)n1 ZINC000797640428 626161781 /nfs/dbraw/zinc/16/17/81/626161781.db2.gz MSZAWRCWEYMPNU-UHFFFAOYSA-N 0 0 321.402 3.132 20 10 DGCDRN COc1ccc(CNC(=O)Nc2c(C)cccc2F)c(O)c1 ZINC000797639817 626161830 /nfs/dbraw/zinc/16/18/30/626161830.db2.gz CSQRJJUUCMNKQC-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN CCc1ccnc(CNC(=S)Nc2ccc(C(C)=O)cc2)c1 ZINC000797793894 626169547 /nfs/dbraw/zinc/16/95/47/626169547.db2.gz YWVRFOKPQCKDPS-UHFFFAOYSA-N 0 0 313.426 3.333 20 10 DGCDRN COc1cc(NS(=O)(=O)/C=C/c2ccc(C)cc2)ccc1O ZINC000797819343 626171239 /nfs/dbraw/zinc/17/12/39/626171239.db2.gz GPNQTNVZJSARQL-MDZDMXLPSA-N 0 0 319.382 3.122 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H]1CCC(F)(F)C1 ZINC000797901220 626178919 /nfs/dbraw/zinc/17/89/19/626178919.db2.gz DIAUHUOLSUUJEI-GFCCVEGCSA-N 0 0 324.371 3.304 20 10 DGCDRN COC(=O)/C(=C\c1ccc(N2CCCCC2)cc1)c1ncccn1 ZINC000798229908 626203345 /nfs/dbraw/zinc/20/33/45/626203345.db2.gz ITQGGCOURQUWFS-VKAVYKQESA-N 0 0 323.396 3.181 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCC[C@@H]2C)c1 ZINC000798510119 626222375 /nfs/dbraw/zinc/22/23/75/626222375.db2.gz KNBMVUFJFWQBLM-AVGNSLFASA-N 0 0 306.406 3.197 20 10 DGCDRN Cc1nn(C(C)C)cc1CN1CCOc2cc(N(C)C)ccc21 ZINC000798952781 626262331 /nfs/dbraw/zinc/26/23/31/626262331.db2.gz RTCCMYSRLFRVCR-UHFFFAOYSA-N 0 0 314.433 3.237 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000798961389 626263171 /nfs/dbraw/zinc/26/31/71/626263171.db2.gz YXIIJHSYACVMGT-LBPRGKRZSA-N 0 0 315.816 3.463 20 10 DGCDRN CCOCC1(C(=O)NCc2ccc(N(CC)CC)c(F)c2)CC1 ZINC000799622473 626313788 /nfs/dbraw/zinc/31/37/88/626313788.db2.gz MXEZUSRFODPFFQ-UHFFFAOYSA-N 0 0 322.424 3.105 20 10 DGCDRN CC(C)c1ncc(CN(C)Cc2ccc(N(C)C)c(F)c2)cn1 ZINC000799736935 626326211 /nfs/dbraw/zinc/32/62/11/626326211.db2.gz MNNDTHUULVXGMB-UHFFFAOYSA-N 0 0 316.424 3.437 20 10 DGCDRN Cc1cc(C(=O)N(C)CCCO)c(C)n1-c1ccc(Cl)cc1 ZINC000799796176 626328906 /nfs/dbraw/zinc/32/89/06/626328906.db2.gz SRZHXJVCAVSBPI-UHFFFAOYSA-N 0 0 320.820 3.202 20 10 DGCDRN CN(C)c1ccc(CN(c2ncc([N+](=O)[O-])s2)C2CC2)cc1 ZINC000799931630 626336552 /nfs/dbraw/zinc/33/65/52/626336552.db2.gz ZXVVBUNIRBZKTJ-UHFFFAOYSA-N 0 0 318.402 3.286 20 10 DGCDRN C[C@H](NC(=O)COc1ccsc1)c1ccc(N(C)C)cc1 ZINC000799989383 626340918 /nfs/dbraw/zinc/34/09/18/626340918.db2.gz NNHGDYRKOAJNQW-LBPRGKRZSA-N 0 0 304.415 3.070 20 10 DGCDRN CCCC[C@H](C)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000800333268 626352265 /nfs/dbraw/zinc/35/22/65/626352265.db2.gz QQLLRRRMMFHXGQ-AWEZNQCLSA-N 0 0 322.424 3.309 20 10 DGCDRN CO[C@@H]1CC[C@@H](OC(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000800462481 626362267 /nfs/dbraw/zinc/36/22/67/626362267.db2.gz GUQNKADKTFXQDX-HUUCEWRRSA-N 0 0 314.385 3.213 20 10 DGCDRN FC(F)[C@@H]1CCCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000800533158 626366406 /nfs/dbraw/zinc/36/64/06/626366406.db2.gz IRKNAKQDIPAAHE-INIZCTEOSA-N 0 0 310.388 3.143 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cccs1 ZINC000839913586 626369616 /nfs/dbraw/zinc/36/96/16/626369616.db2.gz MGSSETGJTFZLCP-ZDUSSCGKSA-N 0 0 302.443 3.484 20 10 DGCDRN CSC[C@@H](C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839917869 626371210 /nfs/dbraw/zinc/37/12/10/626371210.db2.gz IMBWZRXRRAPOPN-KGLIPLIRSA-N 0 0 308.491 3.107 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CCCS1 ZINC000839918081 626371370 /nfs/dbraw/zinc/37/13/70/626371370.db2.gz JMXQIWMQPVJFKZ-BBRMVZONSA-N 0 0 306.475 3.004 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C[C@@H]1CCCCO1 ZINC000839918931 626372469 /nfs/dbraw/zinc/37/24/69/626372469.db2.gz DRLGOHQBMHFOJN-QAPCUYQASA-N 0 0 318.461 3.067 20 10 DGCDRN CC[C@H](C)[C@H](OC)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839921151 626373670 /nfs/dbraw/zinc/37/36/70/626373670.db2.gz IBQJCXRBCIYKQF-JOQOYGCGSA-N 0 0 320.477 3.169 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)ccn1 ZINC000839921357 626373933 /nfs/dbraw/zinc/37/39/33/626373933.db2.gz JPSOSHZAHWIPTK-HNNXBMFYSA-N 0 0 311.429 3.125 20 10 DGCDRN COC[C@H](C)[C@H](C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839921553 626373974 /nfs/dbraw/zinc/37/39/74/626373974.db2.gz KZKKKULYBNUAAV-JYJNAYRXSA-N 0 0 320.477 3.027 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)c1nc([C@@H](C)OC)ns1 ZINC000800858000 626379758 /nfs/dbraw/zinc/37/97/58/626379758.db2.gz CVAXCHIINIPIQP-GFCCVEGCSA-N 0 0 320.462 3.338 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCCOC(F)F)cc1 ZINC000801069162 626392943 /nfs/dbraw/zinc/39/29/43/626392943.db2.gz XPAFBEPKCKANIT-UHFFFAOYSA-N 0 0 322.355 3.453 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@@H]2C(F)F)cc1F ZINC000801153402 626395833 /nfs/dbraw/zinc/39/58/33/626395833.db2.gz GHKDMOKPEBZOKE-RYUDHWBXSA-N 0 0 314.351 3.189 20 10 DGCDRN CCOc1ccc(N(CC)Cc2ncnn2C(C)(C)C)cc1 ZINC000801521333 626407308 /nfs/dbraw/zinc/40/73/08/626407308.db2.gz GPOHDUFYXKQQIG-UHFFFAOYSA-N 0 0 302.422 3.458 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C[C@@H]1CCC2(CCCC2)O1 ZINC000801524951 626407661 /nfs/dbraw/zinc/40/76/61/626407661.db2.gz BZZDJYNUAWWGJX-INIZCTEOSA-N 0 0 316.445 3.443 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1cscn1 ZINC000802065464 626430194 /nfs/dbraw/zinc/43/01/94/626430194.db2.gz BGGWKRXYIWUJBY-UHFFFAOYSA-N 0 0 319.430 3.361 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000802782586 626571373 /nfs/dbraw/zinc/57/13/73/626571373.db2.gz YMGACMFKWSEKKH-AFAVFJNCSA-N 0 0 311.381 3.382 20 10 DGCDRN CCOc1ccc(O)c([C@@H]2NC(C)(C)C(=O)N2CC(C)(C)C)c1 ZINC000840829071 626579784 /nfs/dbraw/zinc/57/97/84/626579784.db2.gz WPAIVCUXGCVUQI-OAHLLOKOSA-N 0 0 320.433 3.046 20 10 DGCDRN CCCN(CCC)c1ccc(CNc2nnn(C)c2C)cc1 ZINC000883232050 626617224 /nfs/dbraw/zinc/61/72/24/626617224.db2.gz ZOMZIOKMZKIUSB-UHFFFAOYSA-N 0 0 301.438 3.362 20 10 DGCDRN CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCOC1 ZINC000883351569 626656561 /nfs/dbraw/zinc/65/65/61/626656561.db2.gz ICTINGFWERSTQQ-XUJVJEKNSA-N 0 0 308.378 3.156 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000883357708 626659771 /nfs/dbraw/zinc/65/97/71/626659771.db2.gz RJTJSUFAXXDGCO-AAEUAGOBSA-N 0 0 306.362 3.053 20 10 DGCDRN CCSCc1cccnc1NCc1cc2c(cc1O)OCO2 ZINC000883378162 626666882 /nfs/dbraw/zinc/66/68/82/626666882.db2.gz APBCXEATMMVVOR-UHFFFAOYSA-N 0 0 318.398 3.381 20 10 DGCDRN CSc1cnc(NCc2c(O)ccc3c2CCCC3)nc1 ZINC000804508128 626688413 /nfs/dbraw/zinc/68/84/13/626688413.db2.gz BHMPDIKZDXSEFP-UHFFFAOYSA-N 0 0 301.415 3.395 20 10 DGCDRN COc1ccc(N(C)Cc2ncc(C)c(OC)c2C)c(OC)c1 ZINC000131928057 626688762 /nfs/dbraw/zinc/68/87/62/626688762.db2.gz YKIWVAZEKIQRHQ-UHFFFAOYSA-N 0 0 316.401 3.361 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2cnc(Cl)cc2C)c1 ZINC000132014798 626693900 /nfs/dbraw/zinc/69/39/00/626693900.db2.gz PERVMQMIFBBOEW-UHFFFAOYSA-N 0 0 321.764 3.079 20 10 DGCDRN CC[C@H]([NH2+]C1CCN(C(C)=O)CC1)c1cccc(Cl)c1[O-] ZINC000806128909 626700294 /nfs/dbraw/zinc/70/02/94/626700294.db2.gz ZFCWSDMIBKEFOQ-HNNXBMFYSA-N 0 0 310.825 3.097 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1cccc(Cl)c1[O-] ZINC000806130351 626700474 /nfs/dbraw/zinc/70/04/74/626700474.db2.gz WDEVCWNFCRQYPH-LSDHHAIUSA-N 0 0 318.804 3.313 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000132245423 626710347 /nfs/dbraw/zinc/71/03/47/626710347.db2.gz HUZVOMDQQKRSHL-NEPJUHHUSA-N 0 0 301.217 3.025 20 10 DGCDRN CCCC1(CNC(=O)NCc2cc(OC)ccc2O)CCC1 ZINC000132300813 626713091 /nfs/dbraw/zinc/71/30/91/626713091.db2.gz LQEHBPZJKIXXJH-UHFFFAOYSA-N 0 0 306.406 3.170 20 10 DGCDRN Cc1ccnc(C)c1NC(=O)NCCCSc1nccs1 ZINC000806538612 626719437 /nfs/dbraw/zinc/71/94/37/626719437.db2.gz NJPQXCUIEVFQTF-UHFFFAOYSA-N 0 0 322.459 3.459 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3cc(C)cn3c2)c1 ZINC000806791467 626734445 /nfs/dbraw/zinc/73/44/45/626734445.db2.gz FRVMHJMECGBPFW-CYBMUJFWSA-N 0 0 324.380 3.453 20 10 DGCDRN O=C(NCCCSc1nccs1)N[C@@H]1CCCC1(F)F ZINC000806959045 626741700 /nfs/dbraw/zinc/74/17/00/626741700.db2.gz PVCVGCBVHTVXQK-SECBINFHSA-N 0 0 321.418 3.112 20 10 DGCDRN CCCCOC(=O)CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000807273391 626752931 /nfs/dbraw/zinc/75/29/31/626752931.db2.gz VZURTONEZNKXOW-UHFFFAOYSA-N 0 0 318.461 3.452 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CSC[C@H]1C ZINC000807477654 626758366 /nfs/dbraw/zinc/75/83/66/626758366.db2.gz VRWPPKZJHOZGST-CJNGLKHVSA-N 0 0 321.490 3.036 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2CCCC2(F)F)c(C)n1-c1ccccn1 ZINC000807853302 626772512 /nfs/dbraw/zinc/77/25/12/626772512.db2.gz FLWJVZMRHFRDKX-CQSZACIVSA-N 0 0 319.355 3.407 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)c1cccs1 ZINC000808096216 626792513 /nfs/dbraw/zinc/79/25/13/626792513.db2.gz DTZYDMZAIHTLCB-LLVKDONJSA-N 0 0 310.415 3.359 20 10 DGCDRN CO[C@@H](C)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000800046637 626798676 /nfs/dbraw/zinc/79/86/76/626798676.db2.gz ANCIQRNANDBKAI-STQMWFEESA-N 0 0 324.852 3.227 20 10 DGCDRN CCOCC(C)(C)CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000808291308 626813442 /nfs/dbraw/zinc/81/34/42/626813442.db2.gz ILYWNJPMCSHMBG-AWEZNQCLSA-N 0 0 321.465 3.176 20 10 DGCDRN COc1cccc(CNC(=O)CCCc2sccc2C)c1O ZINC000133593051 626818586 /nfs/dbraw/zinc/81/85/86/626818586.db2.gz NGQLFJKPSPWCAG-UHFFFAOYSA-N 0 0 319.426 3.410 20 10 DGCDRN O=C(NCc1ccccc1O)c1ccc(Br)cc1 ZINC000133792524 626838887 /nfs/dbraw/zinc/83/88/87/626838887.db2.gz ZEDYWBWAXNENHX-UHFFFAOYSA-N 0 0 306.159 3.085 20 10 DGCDRN Cc1csc(NC(=O)NCc2ccc(N3CC=CC3)cc2)n1 ZINC000133907297 626846148 /nfs/dbraw/zinc/84/61/48/626846148.db2.gz WAKPRNADOKJPTL-UHFFFAOYSA-N 0 0 314.414 3.149 20 10 DGCDRN Cc1cc(CN[C@@H](c2nc[nH]n2)c2ccccc2)ccc1N(C)C ZINC000808707744 626851621 /nfs/dbraw/zinc/85/16/21/626851621.db2.gz XQUHSKBAQLSTNH-GOSISDBHSA-N 0 0 321.428 3.058 20 10 DGCDRN COC1CCC(CC(=O)NCc2ccc(N(C)C)cc2C)CC1 ZINC000134944201 626894050 /nfs/dbraw/zinc/89/40/50/626894050.db2.gz RYEKBKUOZMBJDK-UHFFFAOYSA-N 0 0 318.461 3.273 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Cc1ccc(F)cc1Cl ZINC000135034974 626900784 /nfs/dbraw/zinc/90/07/84/626900784.db2.gz XWSNBJZRNMQABO-UHFFFAOYSA-N 0 0 307.752 3.386 20 10 DGCDRN Oc1cc2c(cc1CN1CCO[C@@H](CF)C1)oc1ccccc12 ZINC000840171051 626902427 /nfs/dbraw/zinc/90/24/27/626902427.db2.gz DWPNAAWVXSVLHO-ZDUSSCGKSA-N 0 0 315.344 3.462 20 10 DGCDRN COc1cccc(O)c1CNc1ccc(C(=O)NC(C)C)cc1 ZINC000809635219 626930564 /nfs/dbraw/zinc/93/05/64/626930564.db2.gz DQNHJFJCSFMRAD-UHFFFAOYSA-N 0 0 314.385 3.151 20 10 DGCDRN COC(=O)c1cc(CN(C)c2ccc(OC)c(Cl)c2)cn1C ZINC000809637673 626930828 /nfs/dbraw/zinc/93/08/28/626930828.db2.gz YQNINSUYVCSCCC-UHFFFAOYSA-N 0 0 322.792 3.110 20 10 DGCDRN COc1ccc(N(C)CCCc2cnccc2C)cc1OC ZINC000809639400 626931300 /nfs/dbraw/zinc/93/13/00/626931300.db2.gz LYAQFFSSAYAUQV-UHFFFAOYSA-N 0 0 300.402 3.476 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[N@@H+](C)[C@H]2CCCOC2)c1 ZINC000809692795 626937224 /nfs/dbraw/zinc/93/72/24/626937224.db2.gz GXZFNSMFWSTAOP-LBPRGKRZSA-N 0 0 314.223 3.074 20 10 DGCDRN C[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1cc(Cl)ccc1O ZINC000809696750 626937981 /nfs/dbraw/zinc/93/79/81/626937981.db2.gz QCUXRVBXXHLMBX-PRHODGIISA-N 0 0 309.715 3.197 20 10 DGCDRN C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc(Cl)cc(F)c1[O-] ZINC000809703955 626939130 /nfs/dbraw/zinc/93/91/30/626939130.db2.gz SEIPMMOIBRPFRA-SMDDNHRTSA-N 0 0 312.816 3.243 20 10 DGCDRN CCN(CC(=O)N1CCCCCC1)Cc1c(O)cccc1Cl ZINC000809713990 626940581 /nfs/dbraw/zinc/94/05/81/626940581.db2.gz SUDJPVWJIFTMAR-UHFFFAOYSA-N 0 0 324.852 3.270 20 10 DGCDRN CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1[O-] ZINC000809721508 626941369 /nfs/dbraw/zinc/94/13/69/626941369.db2.gz ZQEAMQWDXQVNCL-AWEZNQCLSA-N 0 0 324.396 3.020 20 10 DGCDRN Cc1noc([C@H]2CCCCN2Cc2cc(Cl)ccc2O)n1 ZINC000809719017 626941546 /nfs/dbraw/zinc/94/15/46/626941546.db2.gz USWHGCYNMDCHFG-CYBMUJFWSA-N 0 0 307.781 3.464 20 10 DGCDRN COc1cc(Cl)cc(CNc2ccc3c(c2)C(=O)OC3)c1O ZINC000809789268 626953660 /nfs/dbraw/zinc/95/36/60/626953660.db2.gz XOULAWMFYKWFGD-UHFFFAOYSA-N 0 0 319.744 3.337 20 10 DGCDRN CN(C)c1ccc(CNc2ccc3c(c2)C(=O)OC3)cc1F ZINC000809788457 626953693 /nfs/dbraw/zinc/95/36/93/626953693.db2.gz LKAAPWZPXYAKES-UHFFFAOYSA-N 0 0 300.333 3.174 20 10 DGCDRN Oc1ccc(Cl)cc1CN1CCC2(C1)Oc1ccccc1O2 ZINC000809789743 626953880 /nfs/dbraw/zinc/95/38/80/626953880.db2.gz CBCNTPHLBJQBIQ-UHFFFAOYSA-N 0 0 317.772 3.419 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H]1COc2ccccc21 ZINC000809790367 626954180 /nfs/dbraw/zinc/95/41/80/626954180.db2.gz CIJGOPGYWBGNTK-NSHDSACASA-N 0 0 307.752 3.451 20 10 DGCDRN Cc1c(-c2cc(COc3ccc(N(C)C)cc3)on2)cnn1C ZINC000810001001 626967620 /nfs/dbraw/zinc/96/76/20/626967620.db2.gz TVBMRUQFPQEWQZ-UHFFFAOYSA-N 0 0 312.373 3.029 20 10 DGCDRN CC[C@H]([NH2+][C@H](CCOC)COC)c1cccc(Cl)c1[O-] ZINC000810258001 626994094 /nfs/dbraw/zinc/99/40/94/626994094.db2.gz XUZVCHHPLSZKOC-RISCZKNCSA-N 0 0 301.814 3.138 20 10 DGCDRN CC[C@@H](C)CSCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000840198090 627000173 /nfs/dbraw/zinc/00/01/73/627000173.db2.gz KQXJGEMXZHQHNS-CQSZACIVSA-N 0 0 308.491 3.490 20 10 DGCDRN CCc1c(C(=O)NCc2c(O)ccc3c2CCCC3)ccn1C ZINC000810446749 627007470 /nfs/dbraw/zinc/00/74/70/627007470.db2.gz XUDDXUKFQIEIAL-UHFFFAOYSA-N 0 0 312.413 3.102 20 10 DGCDRN Oc1ccc(Cl)cc1CNc1cccc(-n2ccnn2)c1 ZINC000136836323 627104130 /nfs/dbraw/zinc/10/41/30/627104130.db2.gz PONCVTWUNSPTBF-UHFFFAOYSA-N 0 0 300.749 3.238 20 10 DGCDRN Oc1cccc(Br)c1CNCc1cc(C2CC2)no1 ZINC000886269021 627128375 /nfs/dbraw/zinc/12/83/75/627128375.db2.gz IRBLOJIKMIKXIJ-UHFFFAOYSA-N 0 0 323.190 3.310 20 10 DGCDRN C[C@@H](N[C@@H](C)c1c(O)cccc1F)c1nnc2n1CCCCC2 ZINC000886500452 627153680 /nfs/dbraw/zinc/15/36/80/627153680.db2.gz WPOVCNZZINCYFJ-NWDGAFQWSA-N 0 0 318.396 3.261 20 10 DGCDRN COc1cccc(CC[NH2+][C@H](C)c2c([O-])cccc2F)c1OC ZINC000886507778 627154455 /nfs/dbraw/zinc/15/44/55/627154455.db2.gz YDWASZYMHYJEGN-GFCCVEGCSA-N 0 0 319.376 3.442 20 10 DGCDRN COCCOc1cccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)c1 ZINC000886506559 627154677 /nfs/dbraw/zinc/15/46/77/627154677.db2.gz YXXQUPJZIQULDI-ZDUSSCGKSA-N 0 0 319.376 3.407 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1c([O-])cccc1F ZINC000886511325 627155097 /nfs/dbraw/zinc/15/50/97/627155097.db2.gz QKPLTMOLYRFULZ-HIFRSBDPSA-N 0 0 303.377 3.033 20 10 DGCDRN COc1ccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)cc1[N+](=O)[O-] ZINC000886516477 627155698 /nfs/dbraw/zinc/15/56/98/627155698.db2.gz JKAWWBZVLMHRPB-JTQLQIEISA-N 0 0 320.320 3.299 20 10 DGCDRN Cc1cccn2cc(CC[NH2+][C@@H](C)c3c([O-])cccc3F)nc12 ZINC000886534501 627158254 /nfs/dbraw/zinc/15/82/54/627158254.db2.gz JQTIZMZYFJSNOO-ZDUSSCGKSA-N 0 0 313.376 3.381 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)[C@@H](O)c1cccc(F)c1)c1c([O-])cccc1F ZINC000886550155 627161552 /nfs/dbraw/zinc/16/15/52/627161552.db2.gz TUBJWYYJKLYKPK-PSVSLLHZSA-N 0 0 307.340 3.443 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1c([O-])cccc1F ZINC000886556724 627162355 /nfs/dbraw/zinc/16/23/55/627162355.db2.gz JAMMURQHAOBKMI-BLLLJJGKSA-N 0 0 300.377 3.369 20 10 DGCDRN C[C@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)c1c([O-])cccc1F ZINC000886558621 627162926 /nfs/dbraw/zinc/16/29/26/627162926.db2.gz OSOWFXOSGXAFOA-NSHDSACASA-N 0 0 324.396 3.049 20 10 DGCDRN COCC[C@@H](Cc1ccco1)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886587935 627168133 /nfs/dbraw/zinc/16/81/33/627168133.db2.gz IMETYTWDLLCPTI-OLZOCXBDSA-N 0 0 307.365 3.423 20 10 DGCDRN COC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2c([O-])cccc2F)CC1 ZINC000886594559 627169203 /nfs/dbraw/zinc/16/92/03/627169203.db2.gz OYOTYWVEBNAOGQ-VXGBXAGGSA-N 0 0 324.396 3.049 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1c([O-])cccc1F ZINC000886609234 627172478 /nfs/dbraw/zinc/17/24/78/627172478.db2.gz OYCGJHMCVTWPOW-YTEVENLXSA-N 0 0 321.417 3.261 20 10 DGCDRN C[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1c([O-])cccc1F ZINC000886626491 627176231 /nfs/dbraw/zinc/17/62/31/627176231.db2.gz CXFKMKUVARQCMG-WCQYABFASA-N 0 0 307.340 3.097 20 10 DGCDRN COC(=O)c1cnc([C@H](C)N[C@H](C)c2c(O)cccc2F)s1 ZINC000886629537 627176599 /nfs/dbraw/zinc/17/65/99/627176599.db2.gz HRWDXTVXBZMKQD-BDAKNGLRSA-N 0 0 324.377 3.186 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)[C@](C)(O)c1ccccc1 ZINC000886631709 627177004 /nfs/dbraw/zinc/17/70/04/627177004.db2.gz UTYMPLHYOQSJHI-JCGVRSQUSA-N 0 0 303.377 3.478 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)C2)O1)c1ccc(F)cc1[O-] ZINC000886767049 627202652 /nfs/dbraw/zinc/20/26/52/627202652.db2.gz YMIKYUOEKFHRAK-GKEYINFOSA-N 0 0 323.408 3.299 20 10 DGCDRN Cc1cc(Cl)cc([C@H](C)N[C@@H](CCO)C(F)(F)F)c1O ZINC000886804168 627206269 /nfs/dbraw/zinc/20/62/69/627206269.db2.gz SYISSZRDXYLSGF-KWQFWETISA-N 0 0 311.731 3.318 20 10 DGCDRN Cc1cc(Cl)cc([C@@H](C)N[C@@H](CCO)C(F)(F)F)c1O ZINC000886804167 627206438 /nfs/dbraw/zinc/20/64/38/627206438.db2.gz SYISSZRDXYLSGF-KCJUWKMLSA-N 0 0 311.731 3.318 20 10 DGCDRN O=C1/C(=C/c2ccc(Cl)cn2)SC(=S)N1C1CCC1 ZINC000887272116 627239626 /nfs/dbraw/zinc/23/96/26/627239626.db2.gz HHBKZROQFULCNV-WDZFZDKYSA-N 0 0 310.831 3.489 20 10 DGCDRN COc1cc(O)c(CN2CCCOc3ccccc32)cc1OC ZINC000811508533 627283615 /nfs/dbraw/zinc/28/36/15/627283615.db2.gz VKXUCGHIDWAHRH-UHFFFAOYSA-N 0 0 315.369 3.199 20 10 DGCDRN O=C1CCN(Cc2cc(Cl)ccc2O)c2ccccc2N1 ZINC000811508625 627283730 /nfs/dbraw/zinc/28/37/30/627283730.db2.gz ZWPGFGMMSLGXLK-UHFFFAOYSA-N 0 0 302.761 3.394 20 10 DGCDRN Cc1cc(O)c(CN2C[C@@H](C)NC(=O)c3ccccc32)cc1C ZINC000811509226 627284049 /nfs/dbraw/zinc/28/40/49/627284049.db2.gz NRNWWGRZNWPSJQ-CQSZACIVSA-N 0 0 310.397 3.148 20 10 DGCDRN Cc1cccc(CN2CC(O)(c3ccc(Cl)cc3)C2)c1O ZINC000811509201 627284275 /nfs/dbraw/zinc/28/42/75/627284275.db2.gz MISQQYOCEGJZCG-UHFFFAOYSA-N 0 0 303.789 3.057 20 10 DGCDRN OC1(c2ccccc2)CN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000811509268 627284360 /nfs/dbraw/zinc/28/43/60/627284360.db2.gz STNHEMXWGVQESN-UHFFFAOYSA-N 0 0 322.452 3.380 20 10 DGCDRN COCc1cc(NCc2ccccc2O)c2cc(F)ccc2n1 ZINC000811784965 627321470 /nfs/dbraw/zinc/32/14/70/627321470.db2.gz PYKMTHALSHCROK-UHFFFAOYSA-N 0 0 312.344 3.260 20 10 DGCDRN COc1ccc(O)c(CNc2cc(Br)ccn2)c1 ZINC000811806443 627323381 /nfs/dbraw/zinc/32/33/81/627323381.db2.gz WXNXQMYUYQFGAQ-UHFFFAOYSA-N 0 0 309.163 3.170 20 10 DGCDRN Oc1cccc(Cl)c1CNc1ccc(C(F)(F)F)nn1 ZINC000811838415 627327688 /nfs/dbraw/zinc/32/76/88/627327688.db2.gz HZXTXRVNYXIQHZ-UHFFFAOYSA-N 0 0 303.671 3.467 20 10 DGCDRN CC(C)Oc1ccc(NCc2c(O)ccc(Cl)c2F)nn1 ZINC000811839792 627328455 /nfs/dbraw/zinc/32/84/55/627328455.db2.gz QMQVLEBOSWGQLU-UHFFFAOYSA-N 0 0 311.744 3.374 20 10 DGCDRN C=Cc1ccc(CCNC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000812312850 627369964 /nfs/dbraw/zinc/36/99/64/627369964.db2.gz ICQXBNRFJGRJCC-UHFFFAOYSA-N 0 0 323.440 3.438 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@H]1CCC2(CCC2)O1 ZINC000889010996 627370738 /nfs/dbraw/zinc/37/07/38/627370738.db2.gz HBUOVQCETGEJBA-QGZVFWFLSA-N 0 0 316.445 3.169 20 10 DGCDRN CC[C@H](CNC(=O)c1sccc1-n1c(C)ccc1C)OC ZINC000812367573 627375802 /nfs/dbraw/zinc/37/58/02/627375802.db2.gz GVHQXYDQLDLRGE-CYBMUJFWSA-N 0 0 306.431 3.310 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCc1ccoc1 ZINC000840268228 627420750 /nfs/dbraw/zinc/42/07/50/627420750.db2.gz PCDWMCAKPSCSQP-AWEZNQCLSA-N 0 0 315.417 3.084 20 10 DGCDRN COc1ccc(O)c(CN2CCn3c(cc4ccccc43)C2)c1 ZINC000812798845 627422212 /nfs/dbraw/zinc/42/22/12/627422212.db2.gz MENQVJPIEYHTPI-UHFFFAOYSA-N 0 0 308.381 3.371 20 10 DGCDRN CCC1(C)CN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000813037271 627443408 /nfs/dbraw/zinc/44/34/08/627443408.db2.gz LGKULQKFIVJYHZ-UHFFFAOYSA-N 0 0 301.434 3.228 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CC[C@@H](C3CCC3)C2)cc1F ZINC000840280321 627456919 /nfs/dbraw/zinc/45/69/19/627456919.db2.gz HUJGYQBXRDXDBA-OAHLLOKOSA-N 0 0 319.424 3.223 20 10 DGCDRN CC(C)[C@@H]1N(C(=O)NCc2ccc(N(C)C)cc2)CC12CCC2 ZINC000813560624 627497767 /nfs/dbraw/zinc/49/77/67/627497767.db2.gz IGQIUSBBEPNLNN-KRWDZBQOSA-N 0 0 315.461 3.473 20 10 DGCDRN CC[C@@H](C)CONC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000813829202 627514079 /nfs/dbraw/zinc/51/40/79/627514079.db2.gz GCYIOKWQYXLUHX-CQSZACIVSA-N 0 0 319.449 3.404 20 10 DGCDRN COc1cc(Cl)cc(C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000814255139 627554594 /nfs/dbraw/zinc/55/45/94/627554594.db2.gz XTRKGENFVQTWCP-UHFFFAOYSA-N 0 0 318.804 3.345 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2CCc3cccc(O)c32)cc1 ZINC000814259142 627555208 /nfs/dbraw/zinc/55/52/08/627555208.db2.gz AFDOJHCNOGXFNA-KRWDZBQOSA-N 0 0 324.424 3.147 20 10 DGCDRN Cc1ccc(O)c(CN[C@@H](C)c2ncc(Br)cn2)c1 ZINC000814301681 627557975 /nfs/dbraw/zinc/55/79/75/627557975.db2.gz BHGPXEMTEMWXNZ-JTQLQIEISA-N 0 0 322.206 3.104 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@H]2CC3CCC2CC3)cc1F ZINC000814312527 627558270 /nfs/dbraw/zinc/55/82/70/627558270.db2.gz JHBLSUXNPQFMNQ-ZALBZXLWSA-N 0 0 304.409 3.334 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2nc(C)oc2C)cc1 ZINC000814311088 627558489 /nfs/dbraw/zinc/55/84/89/627558489.db2.gz HSAQVJZEUZLWOB-UHFFFAOYSA-N 0 0 301.390 3.068 20 10 DGCDRN O=[N+]([O-])c1cccc(Cl)c1NCCc1ccc(O)c(O)c1 ZINC000814364244 627561190 /nfs/dbraw/zinc/56/11/90/627561190.db2.gz XKDMMBRJSBYTFN-UHFFFAOYSA-N 0 0 308.721 3.314 20 10 DGCDRN CN(Cc1ccccc1O)S(=O)(=O)CC12CCC(CC1)CC2 ZINC000814384324 627561999 /nfs/dbraw/zinc/56/19/99/627561999.db2.gz IRMNLBBHQJTJAE-UHFFFAOYSA-N 0 0 323.458 3.124 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CCc2cncs2)cc1 ZINC000814406205 627562887 /nfs/dbraw/zinc/56/28/87/627562887.db2.gz OSVVTNVKHSYNJD-UHFFFAOYSA-N 0 0 317.458 3.238 20 10 DGCDRN COc1ccc(CNC(=O)NCC(C)(C)C(C)(C)C)c(O)c1 ZINC000814418880 627564089 /nfs/dbraw/zinc/56/40/89/627564089.db2.gz JIPBKQKTVIUBKD-UHFFFAOYSA-N 0 0 308.422 3.272 20 10 DGCDRN Cc1ncsc1/C=C\C(=O)N1CCc2c1c(F)ccc2F ZINC000814425485 627564496 /nfs/dbraw/zinc/56/44/96/627564496.db2.gz AATXQGRRBQUIGX-PLNGDYQASA-N 0 0 306.337 3.332 20 10 DGCDRN Cc1cncc(/C=C/C(=O)N2CCc3c2c(F)ccc3F)c1 ZINC000814425707 627564650 /nfs/dbraw/zinc/56/46/50/627564650.db2.gz FWZCJAGMMSKUBJ-GORDUTHDSA-N 0 0 300.308 3.271 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000007910097 627572159 /nfs/dbraw/zinc/57/21/59/627572159.db2.gz LOALSPRWRQNZAO-UHFFFAOYSA-N 0 0 302.805 3.265 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NCC[C@@H]2CC[C@@H]3C[C@@H]32)cc1 ZINC000924391692 627634282 /nfs/dbraw/zinc/63/42/82/627634282.db2.gz PXMWSZMHFSDCTH-LZLYRXPVSA-N 0 0 315.461 3.330 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCOC[C@H]2CC2CCC2)c1O ZINC000815293641 627653998 /nfs/dbraw/zinc/65/39/98/627653998.db2.gz KIKDCPXHJUIYHL-MRXNPFEDSA-N 0 0 321.392 3.125 20 10 DGCDRN COCCOCCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815554904 627683967 /nfs/dbraw/zinc/68/39/67/627683967.db2.gz LLUZIRFTBMJHDF-LLVKDONJSA-N 0 0 321.339 3.115 20 10 DGCDRN C[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000815562153 627684667 /nfs/dbraw/zinc/68/46/67/627684667.db2.gz YNUXXUAMJBPNJY-IINYFYTJSA-N 0 0 316.367 3.402 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815563995 627685381 /nfs/dbraw/zinc/68/53/81/627685381.db2.gz UPOZNXXKNZXANP-GHMZBOCLSA-N 0 0 302.340 3.156 20 10 DGCDRN Cc1cc(C)c([C@@H](C)NCc2n[nH]cc2Br)c(O)c1 ZINC000815581758 627687661 /nfs/dbraw/zinc/68/76/61/627687661.db2.gz OPLONDWBPVSJJG-SNVBAGLBSA-N 0 0 324.222 3.345 20 10 DGCDRN CC(C)[C@H](CCO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815584149 627688027 /nfs/dbraw/zinc/68/80/27/627688027.db2.gz WUEMOLCHDAJOLT-GWCFXTLKSA-N 0 0 305.340 3.469 20 10 DGCDRN CCn1cc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])cn1 ZINC000815593518 627689129 /nfs/dbraw/zinc/68/91/29/627689129.db2.gz OVBQKZPFVMWJQZ-JTQLQIEISA-N 0 0 313.323 3.478 20 10 DGCDRN CCn1cc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])cn1 ZINC000815593519 627689216 /nfs/dbraw/zinc/68/92/16/627689216.db2.gz OVBQKZPFVMWJQZ-SNVBAGLBSA-N 0 0 313.323 3.478 20 10 DGCDRN C[C@@H]([NH2+]CC1=CCCOC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815626561 627692235 /nfs/dbraw/zinc/69/22/35/627692235.db2.gz HCENNPTTZUDULJ-SNVBAGLBSA-N 0 0 301.308 3.408 20 10 DGCDRN CCCc1nc(C)c(C(=O)NCc2ccc(N(C)C)cc2C)o1 ZINC000815629406 627693124 /nfs/dbraw/zinc/69/31/24/627693124.db2.gz CAMQZKOVFYVPOV-UHFFFAOYSA-N 0 0 315.417 3.240 20 10 DGCDRN CCOC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCCC1 ZINC000815644824 627693925 /nfs/dbraw/zinc/69/39/25/627693925.db2.gz MYVGPACDOHOEFS-LBPRGKRZSA-N 0 0 308.378 3.300 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cnc2c(F)cccc2c1 ZINC000815796726 627704735 /nfs/dbraw/zinc/70/47/35/627704735.db2.gz JDGJOAGESVQIPK-UHFFFAOYSA-N 0 0 310.328 3.352 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)COc1ccc(Cl)c(F)c1 ZINC000815796912 627704874 /nfs/dbraw/zinc/70/48/74/627704874.db2.gz SHLRNNSBXHFQCB-UHFFFAOYSA-N 0 0 323.751 3.222 20 10 DGCDRN Cc1c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)ccn1C(C)C ZINC000816028792 627728047 /nfs/dbraw/zinc/72/80/47/627728047.db2.gz OJXDDYKVDNFGDJ-GFCCVEGCSA-N 0 0 316.401 3.150 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)C(C)(C)OC ZINC000925485045 627741349 /nfs/dbraw/zinc/74/13/49/627741349.db2.gz KYTORDOXKDTHOM-AWEZNQCLSA-N 0 0 321.465 3.098 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@H](c1ccccn1)C1CC1 ZINC000925535576 627749278 /nfs/dbraw/zinc/74/92/78/627749278.db2.gz ZGKBXMQBFICJDR-KRWDZBQOSA-N 0 0 311.385 3.080 20 10 DGCDRN C[C@H](NC(=O)[C@H]1CCc2cccc(O)c21)c1ccc(N(C)C)cc1 ZINC000816180115 627749790 /nfs/dbraw/zinc/74/97/90/627749790.db2.gz FURLEZLTLFRCCW-GUYCJALGSA-N 0 0 324.424 3.365 20 10 DGCDRN CO[C@@H]1CCCC[C@@H]1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000816180109 627749923 /nfs/dbraw/zinc/74/99/23/627749923.db2.gz FTDKIHATECDHLD-XOKHGSTOSA-N 0 0 304.434 3.135 20 10 DGCDRN C[C@H](NC(=O)c1c[nH]nc1C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000816180415 627749979 /nfs/dbraw/zinc/74/99/79/627749979.db2.gz OJIQELLZLOIAOS-LBPRGKRZSA-N 0 0 314.433 3.264 20 10 DGCDRN C[C@@H](c1cc(F)cc(F)c1[O-])[N@@H+]1CCOc2ccc(N)cc2C1 ZINC000925753230 627788428 /nfs/dbraw/zinc/78/84/28/627788428.db2.gz FJDOQGAWAXHQCB-JTQLQIEISA-N 0 0 320.339 3.208 20 10 DGCDRN Oc1c(C[N@@H+]2CCS[C@H]3COCC[C@H]32)ccc2ccccc21 ZINC000816520605 627801713 /nfs/dbraw/zinc/80/17/13/627801713.db2.gz SVYIMJYLBLEAMR-SJORKVTESA-N 0 0 315.438 3.252 20 10 DGCDRN C[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])N1CCC[C@H](C)C1 ZINC000816535588 627803598 /nfs/dbraw/zinc/80/35/98/627803598.db2.gz UERVCOSLMZZDCS-RYUDHWBXSA-N 0 0 314.832 3.395 20 10 DGCDRN Cc1ccc([C@H](O)C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816537552 627803983 /nfs/dbraw/zinc/80/39/83/627803983.db2.gz ITUMSDBHHWZWQM-MRXNPFEDSA-N 0 0 309.768 3.316 20 10 DGCDRN COc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1O ZINC000816544220 627805169 /nfs/dbraw/zinc/80/51/69/627805169.db2.gz BGZDXOABZGYGMR-UHFFFAOYSA-N 0 0 311.740 3.189 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H](CO)C1CCCCC1 ZINC000816554274 627806735 /nfs/dbraw/zinc/80/67/35/627806735.db2.gz UAAQGMINRCWFOW-AWEZNQCLSA-N 0 0 301.789 3.216 20 10 DGCDRN CCC1(O)CCC([NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816560219 627808216 /nfs/dbraw/zinc/80/82/16/627808216.db2.gz IMUIOUCLDPAXOR-UHFFFAOYSA-N 0 0 301.789 3.358 20 10 DGCDRN CNC(=O)c1ccc(NCc2cc(Cl)c(F)cc2O)cc1 ZINC000816598078 627813175 /nfs/dbraw/zinc/81/31/75/627813175.db2.gz OWJALUCWTVICQF-UHFFFAOYSA-N 0 0 308.740 3.156 20 10 DGCDRN C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816608638 627814417 /nfs/dbraw/zinc/81/44/17/627814417.db2.gz FPDHZYCWPNUNEN-AAEUAGOBSA-N 0 0 312.816 3.243 20 10 DGCDRN COc1ccc2c(c1)CCCCN2Cc1cnn(C)c1Cl ZINC000816614347 627815138 /nfs/dbraw/zinc/81/51/38/627815138.db2.gz UAKMUDBNSTTYOA-UHFFFAOYSA-N 0 0 305.809 3.425 20 10 DGCDRN Cc1cccc(CN[C@@H](C)c2ncc(Br)cn2)c1O ZINC000816627696 627816098 /nfs/dbraw/zinc/81/60/98/627816098.db2.gz URKHTBGKWLAOCO-JTQLQIEISA-N 0 0 322.206 3.104 20 10 DGCDRN COc1cccc(CN2Cc3cnn(-c4ccccc4)c3C2)c1O ZINC000816668771 627823330 /nfs/dbraw/zinc/82/33/30/627823330.db2.gz XOINQRYMDYMAEF-UHFFFAOYSA-N 0 0 321.380 3.102 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)/C=C\COc2ccccc2)cc1 ZINC000816822261 627833080 /nfs/dbraw/zinc/83/30/80/627833080.db2.gz FPKSOLYPYOKZSK-YFHOEESVSA-N 0 0 324.424 3.346 20 10 DGCDRN CCSc1cccc(CNC(=O)c2ccc(C)c(O)c2O)c1 ZINC000816983533 627845724 /nfs/dbraw/zinc/84/57/24/627845724.db2.gz BIBDZYGNDJUUGP-UHFFFAOYSA-N 0 0 317.410 3.448 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H](c2ccccc2)C(F)F)c(O)c1O ZINC000817226041 627867082 /nfs/dbraw/zinc/86/70/82/627867082.db2.gz ZHGLRQLPGXQTKT-LBPRGKRZSA-N 0 0 307.296 3.142 20 10 DGCDRN Cc1c(Cl)c(CN(C)Cc2ccc(N(C)C)cc2)nn1C ZINC000817406256 627893797 /nfs/dbraw/zinc/89/37/97/627893797.db2.gz UIOFBJIOLKTLIQ-UHFFFAOYSA-N 0 0 306.841 3.080 20 10 DGCDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[C@@H]1CC12CC2 ZINC000817427213 627899336 /nfs/dbraw/zinc/89/93/36/627899336.db2.gz PWHLISQLTHQRBZ-INIZCTEOSA-N 0 0 317.344 3.201 20 10 DGCDRN Cc1c(F)cccc1C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000817431129 627900516 /nfs/dbraw/zinc/90/05/16/627900516.db2.gz JQPFEVXRFHCMJC-UHFFFAOYSA-N 0 0 314.360 3.223 20 10 DGCDRN CON1CCC([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000817588131 627927291 /nfs/dbraw/zinc/92/72/91/627927291.db2.gz LZPGKUHNOZXGQO-JTQLQIEISA-N 0 0 318.339 3.087 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CC12CCSCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817589217 627927594 /nfs/dbraw/zinc/92/75/94/627927594.db2.gz MGWIFUDGPBCRGK-RYUDHWBXSA-N 0 0 322.430 3.484 20 10 DGCDRN CCCn1cc(C(=O)Oc2ccc3c(c2)c(C)c(C)n3C)nn1 ZINC000817760724 627946842 /nfs/dbraw/zinc/94/68/42/627946842.db2.gz FZAYDPJWJRTTJJ-UHFFFAOYSA-N 0 0 312.373 3.016 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@@H]3CCc4n[nH]cc4C3)cc12 ZINC000817762097 627947635 /nfs/dbraw/zinc/94/76/35/627947635.db2.gz SBUXFNRBYMARTK-CYBMUJFWSA-N 0 0 323.396 3.229 20 10 DGCDRN C[C@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000817881453 627952483 /nfs/dbraw/zinc/95/24/83/627952483.db2.gz TZDDHBDMMOUCED-DOTOQJQBSA-N 0 0 316.445 3.362 20 10 DGCDRN CCC(CC)NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817903384 627957414 /nfs/dbraw/zinc/95/74/14/627957414.db2.gz ASTZEPUKYDCLEX-UHFFFAOYSA-N 0 0 303.431 3.235 20 10 DGCDRN C[C@H]1CN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C[C@@H]1C ZINC000817944432 627970112 /nfs/dbraw/zinc/97/01/12/627970112.db2.gz BWGQGGMSHLCXJE-RYUDHWBXSA-N 0 0 315.442 3.044 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817976524 627980729 /nfs/dbraw/zinc/98/07/29/627980729.db2.gz NAXSHGUDQSWEHR-CIUDSAMLSA-N 0 0 307.196 3.050 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1CCCC2(CCC2)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927009379 627996812 /nfs/dbraw/zinc/99/68/12/627996812.db2.gz CMVSIXUSUYNEQZ-OCCSQVGLSA-N 0 0 320.389 3.443 20 10 DGCDRN C[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCOC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927069856 628007736 /nfs/dbraw/zinc/00/77/36/628007736.db2.gz NKURMANKSVEVRQ-XTQGRXLLSA-N 0 0 320.389 3.156 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cc(C2CC2)nn1C)c1ccc(F)cc1[O-] ZINC000927102538 628014724 /nfs/dbraw/zinc/01/47/24/628014724.db2.gz SLBDXTDEUWBDDF-OAHLLOKOSA-N 0 0 303.381 3.383 20 10 DGCDRN Cc1ccc(O)c([C@@H](C)Nc2ccc(COCCO)cc2)c1 ZINC000818362375 628019219 /nfs/dbraw/zinc/01/92/19/628019219.db2.gz VNKVZPKLIDXSKE-CQSZACIVSA-N 0 0 301.386 3.383 20 10 DGCDRN CC(C)COc1ccccc1C(=O)NCCc1ccc(N)cc1 ZINC000818544668 628033385 /nfs/dbraw/zinc/03/33/85/628033385.db2.gz GRFUEMMKMZEROJ-UHFFFAOYSA-N 0 0 312.413 3.276 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCCc2cccnc21 ZINC000927373572 628055055 /nfs/dbraw/zinc/05/50/55/628055055.db2.gz DJWCXFKGLUOMDP-OAHLLOKOSA-N 0 0 311.385 3.006 20 10 DGCDRN COc1ccc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C)CC2)cc1 ZINC000819003188 628076382 /nfs/dbraw/zinc/07/63/82/628076382.db2.gz AOXODRTXTLSBSZ-CRAIPNDOSA-N 0 0 316.445 3.170 20 10 DGCDRN O=C(c1cccc(O)c1O)N1C[C@@H]2CCCCN2c2ccccc21 ZINC000819021285 628079509 /nfs/dbraw/zinc/07/95/09/628079509.db2.gz XZEALRBOTUCHQU-ZDUSSCGKSA-N 0 0 324.380 3.117 20 10 DGCDRN C[C@@H](NC(=O)NCC[C@@H]1CCC2(CCC2)O1)c1ccccc1O ZINC000927748674 628097831 /nfs/dbraw/zinc/09/78/31/628097831.db2.gz XOJPLQOLIDFEPH-KGLIPLIRSA-N 0 0 318.417 3.244 20 10 DGCDRN C[C@@H](CCC(C)(C)C)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819167397 628104653 /nfs/dbraw/zinc/10/46/53/628104653.db2.gz CGGULWLQUDXCPR-ZDUSSCGKSA-N 0 0 318.417 3.371 20 10 DGCDRN CC1(C)CCC[C@H](N2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000819168140 628104699 /nfs/dbraw/zinc/10/46/99/628104699.db2.gz LTFWVSLHXFPLBR-AWEZNQCLSA-N 0 0 316.401 3.125 20 10 DGCDRN CC(C)=CCC[C@@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819170030 628105038 /nfs/dbraw/zinc/10/50/38/628105038.db2.gz SBBUAWCSUMESMC-CQSZACIVSA-N 0 0 316.401 3.291 20 10 DGCDRN CC(C)C(CN1C(=O)CN(Cc2ccccc2O)C1=O)C(C)C ZINC000819171549 628105132 /nfs/dbraw/zinc/10/51/32/628105132.db2.gz ZJISQMREQWOBCX-UHFFFAOYSA-N 0 0 318.417 3.085 20 10 DGCDRN O=C(Nc1nc2ccccc2n1CC1CC1)C1=CC(=O)CS1 ZINC000928461541 628153342 /nfs/dbraw/zinc/15/33/42/628153342.db2.gz CYRVGIHWBIXGBO-UHFFFAOYSA-N 0 0 313.382 3.466 20 10 DGCDRN COCc1nnc(N[C@@H](C)Cc2ccc(N(C)C)cc2C)s1 ZINC000840384291 628154208 /nfs/dbraw/zinc/15/42/08/628154208.db2.gz HAIOHUGVLJJBDL-LBPRGKRZSA-N 0 0 320.462 3.102 20 10 DGCDRN O[C@H](CNc1ccccc1OCC1CC1)COc1ccccc1 ZINC000819450407 628156663 /nfs/dbraw/zinc/15/66/63/628156663.db2.gz BCBBXMRABHCFNO-MRXNPFEDSA-N 0 0 313.397 3.327 20 10 DGCDRN CCCCCC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819579774 628170833 /nfs/dbraw/zinc/17/08/33/628170833.db2.gz CSTLOYBCGKOLBA-OAHLLOKOSA-N 0 0 304.434 3.218 20 10 DGCDRN CCC[C@H](C)CC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819583585 628171345 /nfs/dbraw/zinc/17/13/45/628171345.db2.gz XQYVTVAGKDUWNA-JKSUJKDBSA-N 0 0 318.461 3.464 20 10 DGCDRN CCC/C(C)=C\C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819583103 628171438 /nfs/dbraw/zinc/17/14/38/628171438.db2.gz SUUDJUQJZWHKAK-IRVMHKCDSA-N 0 0 316.445 3.384 20 10 DGCDRN CCC(C)(C)CC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819583854 628171468 /nfs/dbraw/zinc/17/14/68/628171468.db2.gz ASCYKKOGCIPGFV-OAHLLOKOSA-N 0 0 318.461 3.464 20 10 DGCDRN CCC[C@@H]1C[C@H]1C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819592024 628172221 /nfs/dbraw/zinc/17/22/21/628172221.db2.gz ZYXXZAVWGUFOIT-IIDMSEBBSA-N 0 0 316.445 3.074 20 10 DGCDRN C[C@]1(CC(=O)NCc2c(O)cccc2F)CC1(Cl)Cl ZINC000928705019 628179305 /nfs/dbraw/zinc/17/93/05/628179305.db2.gz CBJIIVWLYORBIA-LBPRGKRZSA-N 0 0 306.164 3.122 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)CCOC ZINC000840393855 628180196 /nfs/dbraw/zinc/18/01/96/628180196.db2.gz ACLKBLOOPOFEJQ-HNNXBMFYSA-N 0 0 322.449 3.377 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@H](C)CCOC ZINC000840393856 628180340 /nfs/dbraw/zinc/18/03/40/628180340.db2.gz ACLKBLOOPOFEJQ-OAHLLOKOSA-N 0 0 322.449 3.377 20 10 DGCDRN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCc2c(O)cccc2F)o1 ZINC000928710230 628180344 /nfs/dbraw/zinc/18/03/44/628180344.db2.gz QOMWMRHXBQWRNL-YPMHNXCESA-N 0 0 317.360 3.497 20 10 DGCDRN Cc1cc(C(=O)NCc2ccncn2)c(C)n1-c1cccc(C)c1 ZINC000819813702 628192878 /nfs/dbraw/zinc/19/28/78/628192878.db2.gz HFKBJTLAKHIZAF-UHFFFAOYSA-N 0 0 320.396 3.123 20 10 DGCDRN C[C@H](NC(=O)[C@@H]1CCc2cccnc21)c1ccc(N(C)C)cc1 ZINC000819931752 628201418 /nfs/dbraw/zinc/20/14/18/628201418.db2.gz SWKUQYISBQHNHK-SUMWQHHRSA-N 0 0 309.413 3.055 20 10 DGCDRN COc1ccc(N2CC[C@H](CNc3cncc(Cl)n3)C2)cc1 ZINC000819935511 628201436 /nfs/dbraw/zinc/20/14/36/628201436.db2.gz MVRPVUUYYLATRF-GFCCVEGCSA-N 0 0 318.808 3.077 20 10 DGCDRN COc1ccc(N2CC[C@H](CNc3cccc(F)n3)C2)cc1 ZINC000819937008 628201450 /nfs/dbraw/zinc/20/14/50/628201450.db2.gz YLJYHHOCKDTYDA-CYBMUJFWSA-N 0 0 301.365 3.168 20 10 DGCDRN COc1ccc(N2CCN([C@H](C)c3ccc(F)nc3)CC2)cc1 ZINC000929152820 628217332 /nfs/dbraw/zinc/21/73/32/628217332.db2.gz FKDOFEKENRMHRK-CQSZACIVSA-N 0 0 315.392 3.113 20 10 DGCDRN COc1ccc(N2CCN([C@@H](C)c3ccc(F)nc3)CC2)cc1 ZINC000929152819 628217354 /nfs/dbraw/zinc/21/73/54/628217354.db2.gz FKDOFEKENRMHRK-AWEZNQCLSA-N 0 0 315.392 3.113 20 10 DGCDRN C[C@@H]1CCC[C@@H](C)C1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820055070 628218556 /nfs/dbraw/zinc/21/85/56/628218556.db2.gz JDAAEYYEPXCHTA-GHMZBOCLSA-N 0 0 302.378 3.404 20 10 DGCDRN C[C@@H]1CCC[C@@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000820253955 628240158 /nfs/dbraw/zinc/24/01/58/628240158.db2.gz WHECKSQXWZFHEZ-VXGBXAGGSA-N 0 0 302.378 3.500 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1c(C)[nH][nH]c1=O ZINC000820403768 628253615 /nfs/dbraw/zinc/25/36/15/628253615.db2.gz YXKAHVLJFBUKQV-UHFFFAOYSA-N 0 0 316.386 3.145 20 10 DGCDRN CCSCC[C@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820457829 628261367 /nfs/dbraw/zinc/26/13/67/628261367.db2.gz OVLSGWKDMXXBRY-NSHDSACASA-N 0 0 322.434 3.453 20 10 DGCDRN CO[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1CCC1 ZINC000821033274 628328925 /nfs/dbraw/zinc/32/89/25/628328925.db2.gz NUNNAZRCNSZSQH-SFHVURJKSA-N 0 0 316.445 3.059 20 10 DGCDRN CO[C@@H](C)CNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000821464519 628372323 /nfs/dbraw/zinc/37/23/23/628372323.db2.gz LEIAKHDCQMTLDF-AWEZNQCLSA-N 0 0 320.433 3.271 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)Nc3ccsc3)C2)cc1 ZINC000821826193 628400977 /nfs/dbraw/zinc/40/09/77/628400977.db2.gz FVIRCSSKGJQBKP-GFCCVEGCSA-N 0 0 317.414 3.157 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C[C@@]2(C)CC2(Cl)Cl)cc1 ZINC000822226982 628431441 /nfs/dbraw/zinc/43/14/41/628431441.db2.gz PSPNSKHOBRLAII-AWEZNQCLSA-N 0 0 315.244 3.343 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc(C(F)(F)F)[nH]2)cc1 ZINC000822226649 628431546 /nfs/dbraw/zinc/43/15/46/628431546.db2.gz BQHNEIHQIXMIID-UHFFFAOYSA-N 0 0 311.307 3.030 20 10 DGCDRN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000822357378 628444268 /nfs/dbraw/zinc/44/42/68/628444268.db2.gz BZPBQQITDPZPCE-WOPDTQHZSA-N 0 0 302.378 3.356 20 10 DGCDRN CC(C)n1cncc1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000822476774 628455975 /nfs/dbraw/zinc/45/59/75/628455975.db2.gz WGUVTGBTROCWQF-UHFFFAOYSA-N 0 0 324.222 3.222 20 10 DGCDRN CC[C@](C)(C(=O)OC)[N@@H+](Cc1cc(C)ccc1O)CC1CC1 ZINC000822503540 628458095 /nfs/dbraw/zinc/45/80/95/628458095.db2.gz IHWYNCNYAVTNSX-GOSISDBHSA-N 0 0 305.418 3.254 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)/C=C/[C@H]1CCOC1 ZINC000822653011 628475438 /nfs/dbraw/zinc/47/54/38/628475438.db2.gz WPFMLFJJDBRBTH-JEJOPICUSA-N 0 0 316.445 3.082 20 10 DGCDRN COc1ccc2c(c1)CCCCN2Cc1nc(C(F)F)no1 ZINC000822796897 628496139 /nfs/dbraw/zinc/49/61/39/628496139.db2.gz BKDFDBCARBTVLD-UHFFFAOYSA-N 0 0 309.316 3.359 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H](C3CC3)C2)cc1 ZINC000822978505 628515505 /nfs/dbraw/zinc/51/55/05/628515505.db2.gz JLAGBNHPRTXXGH-CYBMUJFWSA-N 0 0 300.362 3.111 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[C@H]1C(C)C ZINC000840478696 628551713 /nfs/dbraw/zinc/55/17/13/628551713.db2.gz BJAGFOKZJSWPIK-QAPCUYQASA-N 0 0 317.477 3.432 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)cc1 ZINC000823376161 628554227 /nfs/dbraw/zinc/55/42/27/628554227.db2.gz CLIXIDGHEKAKMH-CABCVRRESA-N 0 0 312.373 3.110 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1[C@H](C)C[C@H]1C ZINC000840481407 628583305 /nfs/dbraw/zinc/58/33/05/628583305.db2.gz DMBLHILGLPJQFH-RRFJBIMHSA-N 0 0 303.450 3.184 20 10 DGCDRN Cc1cnc(CCCC(=O)N(C)Cc2ccc(N(C)C)cc2)o1 ZINC000823709163 628588520 /nfs/dbraw/zinc/58/85/20/628588520.db2.gz MFHYAXGSVQVYHD-UHFFFAOYSA-N 0 0 315.417 3.030 20 10 DGCDRN C[C@H]1Cc2cccc(C(=O)N(C)Cc3ccc(N(C)C)cc3)c2O1 ZINC000823709400 628588539 /nfs/dbraw/zinc/58/85/39/628588539.db2.gz QXEAYWKRAMEZCR-AWEZNQCLSA-N 0 0 324.424 3.348 20 10 DGCDRN Cc1cccc2c1O[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)C2 ZINC000823709574 628588700 /nfs/dbraw/zinc/58/87/00/628588700.db2.gz XTTMPPZRSYWMEG-SFHVURJKSA-N 0 0 324.424 3.023 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC=C(C)CC1 ZINC000840482053 628590582 /nfs/dbraw/zinc/59/05/82/628590582.db2.gz RPWHJHSVRGQHQO-INIZCTEOSA-N 0 0 315.461 3.354 20 10 DGCDRN Oc1ccc2c(c1CNc1ccc(-c3nn[nH]n3)cc1)CCCC2 ZINC000823733107 628591061 /nfs/dbraw/zinc/59/10/61/628591061.db2.gz TXPQIAAKJJMQAB-UHFFFAOYSA-N 0 0 321.384 3.063 20 10 DGCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)CC(C)=C(C)C ZINC000823793523 628596775 /nfs/dbraw/zinc/59/67/75/628596775.db2.gz HXYBDJSWDKHQPV-UHFFFAOYSA-N 0 0 319.401 3.030 20 10 DGCDRN COC[C@H](C)CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000823849248 628602290 /nfs/dbraw/zinc/60/22/90/628602290.db2.gz GVPUBUDRDFHZNT-CQSZACIVSA-N 0 0 314.429 3.035 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CC23CC3)cc1 ZINC000823857490 628603509 /nfs/dbraw/zinc/60/35/09/628603509.db2.gz CBCJYAPOZZJELN-INIZCTEOSA-N 0 0 301.434 3.227 20 10 DGCDRN COc1cccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000824162340 628633362 /nfs/dbraw/zinc/63/33/62/628633362.db2.gz YAFOROADXGAYSG-GFCCVEGCSA-N 0 0 314.389 3.039 20 10 DGCDRN CC(C)C[C@H](C(=O)NCc1cc(Cl)ccc1O)n1ccnc1 ZINC000824212910 628637201 /nfs/dbraw/zinc/63/72/01/628637201.db2.gz BUVXTMGGPYAKPS-CQSZACIVSA-N 0 0 321.808 3.146 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H](C)[C@H]1CCCO1 ZINC000824234182 628641407 /nfs/dbraw/zinc/64/14/07/628641407.db2.gz FWPHLLHOZFEVRU-MAUKXSAKSA-N 0 0 318.461 3.306 20 10 DGCDRN CCC[C@@H](CC)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000824380140 628656891 /nfs/dbraw/zinc/65/68/91/628656891.db2.gz PSQFADXPDNWACE-CABCVRRESA-N 0 0 304.434 3.216 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1ccccn1 ZINC000840487547 628661429 /nfs/dbraw/zinc/66/14/29/628661429.db2.gz GKVALXLZVXCLFB-CQSZACIVSA-N 0 0 312.417 3.209 20 10 DGCDRN CC[C@@H](NCc1cc(Br)cc(OC)c1O)C(F)F ZINC000824510634 628665947 /nfs/dbraw/zinc/66/59/47/628665947.db2.gz YNQKMBIFSJEPDH-SECBINFHSA-N 0 0 324.165 3.297 20 10 DGCDRN Cc1cc(O)c(CN2CCN(CC(F)(F)F)CC2)cc1Cl ZINC000824541971 628668650 /nfs/dbraw/zinc/66/86/50/628668650.db2.gz LUNZKBLUGWPGDP-UHFFFAOYSA-N 0 0 322.758 3.034 20 10 DGCDRN CC[C@@H](C)N(C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840488744 628675741 /nfs/dbraw/zinc/67/57/41/628675741.db2.gz NGSUBGYADBFRRE-LSDHHAIUSA-N 0 0 305.466 3.432 20 10 DGCDRN CCOc1ccc(CNc2cccc([S@@](C)=O)c2)c(O)c1 ZINC000824620644 628678058 /nfs/dbraw/zinc/67/80/58/628678058.db2.gz XNUNFQGFBFCFPI-OAQYLSRUSA-N 0 0 305.399 3.140 20 10 DGCDRN C/C(=C/C(=O)NCc1ccc2c(c1)CCCN2C)c1ccco1 ZINC000824676227 628682199 /nfs/dbraw/zinc/68/21/99/628682199.db2.gz GJLPXXCGCKCORN-KAMYIIQDSA-N 0 0 310.397 3.382 20 10 DGCDRN Cc1csc([C@H](C)C(=O)NCc2ccc(N(C)C)c(F)c2)n1 ZINC000824669844 628682506 /nfs/dbraw/zinc/68/25/06/628682506.db2.gz RCAQAOGQLRYILF-LLVKDONJSA-N 0 0 321.421 3.077 20 10 DGCDRN CO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000824903683 628704469 /nfs/dbraw/zinc/70/44/69/628704469.db2.gz JJEVNPJOFLTNNY-CHWSQXEVSA-N 0 0 314.223 3.120 20 10 DGCDRN CCc1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)n1 ZINC000824983439 628713399 /nfs/dbraw/zinc/71/33/99/628713399.db2.gz WMAFQCBXRFQLBO-UHFFFAOYSA-N 0 0 309.413 3.174 20 10 DGCDRN CC[C@H](Nc1ccc(O[C@@H]2CC(=O)N2)cc1)c1ccccc1O ZINC000825000051 628715475 /nfs/dbraw/zinc/71/54/75/628715475.db2.gz VLTHWRNTCUNHLO-MAUKXSAKSA-N 0 0 312.369 3.180 20 10 DGCDRN Cc1cc(O)c(CNc2ccc(OCCO)cc2)cc1Cl ZINC000825019924 628717310 /nfs/dbraw/zinc/71/73/10/628717310.db2.gz PVAOOMICEQLVHS-UHFFFAOYSA-N 0 0 307.777 3.337 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(C)CCC(=O)CC1 ZINC000825461482 628764191 /nfs/dbraw/zinc/76/41/91/628764191.db2.gz XFELGZBHGHVCAN-UHFFFAOYSA-N 0 0 316.445 3.251 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)Cc2cc(C)ccc2F)c1 ZINC000825736753 628793061 /nfs/dbraw/zinc/79/30/61/628793061.db2.gz IQXGLHONCCCLDD-LBPRGKRZSA-N 0 0 317.360 3.268 20 10 DGCDRN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2C)nn1C(C)C ZINC000825874320 628806363 /nfs/dbraw/zinc/80/63/63/628806363.db2.gz ZHRNCOWFUQWYML-UHFFFAOYSA-N 0 0 314.433 3.077 20 10 DGCDRN Cc1cc(O)c(CN2CCOC[C@@H]2CC(F)F)cc1Cl ZINC000825893313 628807729 /nfs/dbraw/zinc/80/77/29/628807729.db2.gz VRZCRSPIMQECTL-NSHDSACASA-N 0 0 305.752 3.210 20 10 DGCDRN COc1ccc(N2CCN(C(=O)CCCC(C)C)CC2)cc1F ZINC000826777833 628885790 /nfs/dbraw/zinc/88/57/90/628885790.db2.gz JTJABLGOVQFONQ-UHFFFAOYSA-N 0 0 322.424 3.309 20 10 DGCDRN CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000826790244 628887038 /nfs/dbraw/zinc/88/70/38/628887038.db2.gz AFJARYIBWKNTNM-LLVKDONJSA-N 0 0 300.805 3.147 20 10 DGCDRN C/C(=C\C(=O)N1C[C@H](C)Oc2ccc(C)cc21)c1cnccn1 ZINC000826819963 628891301 /nfs/dbraw/zinc/89/13/01/628891301.db2.gz ZODWJJLMOOGCQC-SSUFTNFISA-N 0 0 309.369 3.002 20 10 DGCDRN CC[C@H](COCC1CC1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000826867452 628897509 /nfs/dbraw/zinc/89/75/09/628897509.db2.gz JSXIQGOLNRRVOW-GFCCVEGCSA-N 0 0 301.789 3.480 20 10 DGCDRN COC[C@H]([NH2+]Cc1cccc(F)c1[O-])c1cccc(OC)c1 ZINC000827011690 628912705 /nfs/dbraw/zinc/91/27/05/628912705.db2.gz LYTMOFGDEYQDJL-INIZCTEOSA-N 0 0 305.349 3.017 20 10 DGCDRN C[C@H]1C[NH+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H](C)C1O ZINC000827152051 628928846 /nfs/dbraw/zinc/92/88/46/628928846.db2.gz PTTAZDSYLSVNCY-IUCAKERBSA-N 0 0 304.217 3.148 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1COc2cc(F)ccc2C1 ZINC000827261092 628943119 /nfs/dbraw/zinc/94/31/19/628943119.db2.gz UOEHOASEBSJHAY-ZDUSSCGKSA-N 0 0 307.752 3.278 20 10 DGCDRN COc1cccc(CNC(=O)c2ccc(C)nc2C(C)C)c1O ZINC000827303532 628947027 /nfs/dbraw/zinc/94/70/27/628947027.db2.gz KAUWXCSODIZIKH-UHFFFAOYSA-N 0 0 314.385 3.158 20 10 DGCDRN C/C(=C\C(=O)NCCCSc1nccs1)c1ccco1 ZINC000827475148 628962216 /nfs/dbraw/zinc/96/22/16/628962216.db2.gz TXVVKRPSEBOBPQ-ZHACJKMWSA-N 0 0 308.428 3.438 20 10 DGCDRN COc1cccc(C(=O)NCCCSc2nccs2)c1C ZINC000827475380 628962655 /nfs/dbraw/zinc/96/26/55/628962655.db2.gz ZKEGNFAXAVLTDI-UHFFFAOYSA-N 0 0 322.455 3.372 20 10 DGCDRN CO[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])C1CCCC1 ZINC000827608453 628976721 /nfs/dbraw/zinc/97/67/21/628976721.db2.gz NKWQVKINIZLHOO-AWEZNQCLSA-N 0 0 301.789 3.480 20 10 DGCDRN COc1cccc2c1CCCCN2C(=O)/C=C(/C)c1cnccn1 ZINC000827667453 628981322 /nfs/dbraw/zinc/98/13/22/628981322.db2.gz GQZFTXNLWCEVQL-OWBHPGMISA-N 0 0 323.396 3.258 20 10 DGCDRN COc1c(O)c(CNCC(F)(F)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000827722561 628985405 /nfs/dbraw/zinc/98/54/05/628985405.db2.gz MYTBGYRUXTUCAK-UHFFFAOYSA-N 0 0 318.320 3.080 20 10 DGCDRN C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000827733816 628986824 /nfs/dbraw/zinc/98/68/24/628986824.db2.gz OZWKTSNCRWWWPW-DIFFPNOSSA-N 0 0 323.795 3.439 20 10 DGCDRN C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000827733817 628986844 /nfs/dbraw/zinc/98/68/44/628986844.db2.gz OZWKTSNCRWWWPW-GTNSWQLSSA-N 0 0 323.795 3.439 20 10 DGCDRN CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000827751353 628988549 /nfs/dbraw/zinc/98/85/49/628988549.db2.gz TXMJYQKVVMEWQK-CZUORRHYSA-N 0 0 311.809 3.257 20 10 DGCDRN CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000827751351 628988670 /nfs/dbraw/zinc/98/86/70/628988670.db2.gz TXMJYQKVVMEWQK-BBRMVZONSA-N 0 0 311.809 3.257 20 10 DGCDRN C[C@@H](O)[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccccc1 ZINC000827855694 628997571 /nfs/dbraw/zinc/99/75/71/628997571.db2.gz GRZSBBRLCHGOTH-MEBBXXQBSA-N 0 0 309.768 3.396 20 10 DGCDRN COc1ccccc1C1(C(=O)N[C@H](C)c2ccccc2O)CC1 ZINC000827930397 629004774 /nfs/dbraw/zinc/00/47/74/629004774.db2.gz JESGYWMSUZGGDE-CYBMUJFWSA-N 0 0 311.381 3.310 20 10 DGCDRN C[C@@H](NC(=O)[C@@H](C)N1CCc2ccccc2C1)c1ccccc1O ZINC000827937300 629005597 /nfs/dbraw/zinc/00/55/97/629005597.db2.gz RBSNOXPBGJAAMH-HUUCEWRRSA-N 0 0 324.424 3.016 20 10 DGCDRN C[C@@H](NC(=O)c1cccc([C@@H]2CCOC2)c1)c1ccccc1O ZINC000827941915 629006141 /nfs/dbraw/zinc/00/61/41/629006141.db2.gz ZYDLWJFVWPDZLT-CZUORRHYSA-N 0 0 311.381 3.387 20 10 DGCDRN CO[C@](C)(C(=O)N[C@H](C)c1ccccc1O)c1ccccc1F ZINC000827946265 629006437 /nfs/dbraw/zinc/00/64/37/629006437.db2.gz BTUKOLSBFNRNEJ-XIKOKIGWSA-N 0 0 317.360 3.270 20 10 DGCDRN COc1cccc([C@@H]2C[C@H]2C(=O)N[C@H](C)c2ccccc2O)c1 ZINC000827952221 629007362 /nfs/dbraw/zinc/00/73/62/629007362.db2.gz KFQVXMLKPATZCW-OAUYIBNBSA-N 0 0 311.381 3.382 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C1CC2(CC2(F)F)C1 ZINC000827956402 629007727 /nfs/dbraw/zinc/00/77/27/629007727.db2.gz OUPMQJQHYGEKOD-UHFFFAOYSA-N 0 0 308.372 3.113 20 10 DGCDRN C[C@H](NC(=O)C1([C@H]2CCCCO2)CCC1)c1ccccc1O ZINC000827957876 629008152 /nfs/dbraw/zinc/00/81/52/629008152.db2.gz ZPVWKHVOQWWRJF-XJKSGUPXSA-N 0 0 303.402 3.309 20 10 DGCDRN Cc1ccc(CO[C@@H](C)C(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000827957601 629008260 /nfs/dbraw/zinc/00/82/60/629008260.db2.gz WEXBLLAXRXNODU-GJZGRUSLSA-N 0 0 313.397 3.483 20 10 DGCDRN C[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@](C)(C(F)F)O1 ZINC000827962090 629008717 /nfs/dbraw/zinc/00/87/17/629008717.db2.gz FSCPUMZUXPYIBU-MEDUHNTESA-N 0 0 316.367 3.136 20 10 DGCDRN C[C@H](NC(=O)c1nnc(C(C)(C)C)s1)c1ccccc1O ZINC000827964854 629009508 /nfs/dbraw/zinc/00/95/08/629009508.db2.gz XYKIIZWZLAQCOA-VIFPVBQESA-N 0 0 305.403 3.032 20 10 DGCDRN CCCn1nc(C)c(C(=O)N[C@@H](C)c2ccccc2O)c1C ZINC000827973232 629009858 /nfs/dbraw/zinc/00/98/58/629009858.db2.gz LONCAJDQTROGLV-NSHDSACASA-N 0 0 301.390 3.107 20 10 DGCDRN C[C@H](NC(=O)[C@](C)(O)[C@@H](C)c1ccccc1)c1ccccc1O ZINC000827973420 629010270 /nfs/dbraw/zinc/01/02/70/629010270.db2.gz OYRSUZGSENLSFC-CKFHNAJUSA-N 0 0 313.397 3.124 20 10 DGCDRN Cc1cc2c(cc1C)O[C@@H](C(=O)N[C@@H](C)c1ccccc1O)C2 ZINC000827973829 629010340 /nfs/dbraw/zinc/01/03/40/629010340.db2.gz ZKGMZCQWAOOJMW-SCLBCKFNSA-N 0 0 311.381 3.190 20 10 DGCDRN Cn1ncc2c1CC(C)(C)C[N@H+](Cc1cccc(Cl)c1[O-])C2 ZINC000828018607 629015482 /nfs/dbraw/zinc/01/54/82/629015482.db2.gz KXZARXKQKMZHKH-UHFFFAOYSA-N 0 0 319.836 3.364 20 10 DGCDRN COc1ccc(N(Cc2nc(C3CC3)nn2C)C(C)C)cc1F ZINC000828059765 629019275 /nfs/dbraw/zinc/01/92/75/629019275.db2.gz UEXYWJLLYAHYCX-UHFFFAOYSA-N 0 0 318.396 3.255 20 10 DGCDRN COc1ccc(N(Cc2cn(CC3CC3)nn2)CC(C)C)cc1 ZINC000828206440 629032730 /nfs/dbraw/zinc/03/27/30/629032730.db2.gz VWHNMRVGEDGCDG-UHFFFAOYSA-N 0 0 314.433 3.359 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000828353808 629047430 /nfs/dbraw/zinc/04/74/30/629047430.db2.gz XNONWWDPDPOJKR-BPQIPLTHSA-N 0 0 315.461 3.473 20 10 DGCDRN C[C@H](NC(=O)C[C@H]1CC(=O)Nc2ccccc21)c1ccccc1O ZINC000828539391 629064208 /nfs/dbraw/zinc/06/42/08/629064208.db2.gz OQYLIPIJXGPYDO-STQMWFEESA-N 0 0 324.380 3.086 20 10 DGCDRN Cc1nc(CN(C)Cc2ccc(N3CCCCC3)c(C)c2)no1 ZINC000828729364 629085722 /nfs/dbraw/zinc/08/57/22/629085722.db2.gz HGGZNMZJJXPPAL-UHFFFAOYSA-N 0 0 314.433 3.309 20 10 DGCDRN CC[C@@H](CC(F)(F)F)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000828884359 629104842 /nfs/dbraw/zinc/10/48/42/629104842.db2.gz AIQREVDXKCPABK-KOLCDFICSA-N 0 0 319.323 3.124 20 10 DGCDRN CCCC[C@@](C)(F)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000829239695 629143510 /nfs/dbraw/zinc/14/35/10/629143510.db2.gz UYUBENVQUVJZIF-QGZVFWFLSA-N 0 0 308.397 3.396 20 10 DGCDRN CCCC[C@](C)(F)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000829239694 629143774 /nfs/dbraw/zinc/14/37/74/629143774.db2.gz UYUBENVQUVJZIF-KRWDZBQOSA-N 0 0 308.397 3.396 20 10 DGCDRN COc1ccc(N(CCC(C)C)C[C@H]2CCNC(=O)CC2)cc1 ZINC000829352252 629151905 /nfs/dbraw/zinc/15/19/05/629151905.db2.gz AQWDZRBAJZGXRV-MRXNPFEDSA-N 0 0 318.461 3.464 20 10 DGCDRN Cc1cc(C(=O)CN2C[C@@H](C)[C@@H]2C)c(C)n1-c1ccc(F)cn1 ZINC000830027959 629218459 /nfs/dbraw/zinc/21/84/59/629218459.db2.gz CRGQEIXIIMDCOA-YPMHNXCESA-N 0 0 315.392 3.151 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ncn2ccc(C)cc12 ZINC000830141148 629229508 /nfs/dbraw/zinc/22/95/08/629229508.db2.gz NOPDIOOWBSWCLL-UHFFFAOYSA-N 0 0 323.396 3.401 20 10 DGCDRN C[C@H](NC(=O)OC1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000830200895 629237922 /nfs/dbraw/zinc/23/79/22/629237922.db2.gz YLFFVMKZZCUSNZ-AWEZNQCLSA-N 0 0 318.417 3.253 20 10 DGCDRN Cc1cncc([C@@H]2CCCN2C(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000830465520 629272949 /nfs/dbraw/zinc/27/29/49/629272949.db2.gz RPIPOZJQHYDFLV-WRLNGNIRSA-N 0 0 324.380 3.178 20 10 DGCDRN COc1cccc(C(=O)NCc2ccccc2O)c1OC(C)C ZINC000830526662 629281063 /nfs/dbraw/zinc/28/10/63/629281063.db2.gz PUGFCKJRYCPTNV-UHFFFAOYSA-N 0 0 315.369 3.118 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(OC)c2C)c1 ZINC000830540592 629281855 /nfs/dbraw/zinc/28/18/55/629281855.db2.gz MEJSRUMCPFTBNF-GFCCVEGCSA-N 0 0 315.369 3.209 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)C2CC3(CC3(F)F)C2)c1 ZINC000830540829 629281938 /nfs/dbraw/zinc/28/19/38/629281938.db2.gz NZPGBCMYIAPLQA-YLTRJXTNSA-N 0 0 311.328 3.013 20 10 DGCDRN O=C(C1=CC(=O)CS1)N(Cc1ccc(O)cc1)CC1CC1 ZINC000830536475 629282096 /nfs/dbraw/zinc/28/20/96/629282096.db2.gz RTPOVOPFKSJSSQ-UHFFFAOYSA-N 0 0 303.383 3.212 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)c2nc(C)cs2)c1 ZINC000830541215 629282599 /nfs/dbraw/zinc/28/25/99/629282599.db2.gz VFAFSUQBEZLNSD-MNOVXSKESA-N 0 0 320.414 3.147 20 10 DGCDRN Cc1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)cc1N ZINC000830597413 629286682 /nfs/dbraw/zinc/28/66/82/629286682.db2.gz HVLWYZCSNGDZDM-UHFFFAOYSA-N 0 0 310.397 3.092 20 10 DGCDRN Nc1ccccc1CCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597379 629286697 /nfs/dbraw/zinc/28/66/97/629286697.db2.gz GLKDKJZXSQFPDI-UHFFFAOYSA-N 0 0 324.424 3.102 20 10 DGCDRN CC(=O)c1cc(F)cc(CN(C)Cc2ccc(C)cn2)c1O ZINC000831053194 629334220 /nfs/dbraw/zinc/33/42/20/629334220.db2.gz AXSAFGDLOBVRFS-UHFFFAOYSA-N 0 0 302.349 3.069 20 10 DGCDRN Nc1ccc(CCNC(=O)N[C@H](C2CCC2)C2CCCC2)cc1 ZINC000831177703 629346978 /nfs/dbraw/zinc/34/69/78/629346978.db2.gz AEVJKKIKJHKSSI-SFHVURJKSA-N 0 0 315.461 3.469 20 10 DGCDRN COc1ccc(N(Cc2nnc(C)n2C2CC2)CC2CC2)cc1 ZINC000831588396 629394073 /nfs/dbraw/zinc/39/40/73/629394073.db2.gz ZWOKIABEWJZABU-UHFFFAOYSA-N 0 0 312.417 3.347 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCSC[C@@H]2C2CC2)c1O ZINC000831773698 629410494 /nfs/dbraw/zinc/41/04/94/629410494.db2.gz RRLHOFSXAFXOSQ-OAHLLOKOSA-N 0 0 309.406 3.061 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)/C=C\[C@@H]1CCOC1 ZINC000831909360 629427503 /nfs/dbraw/zinc/42/75/03/629427503.db2.gz LWDPPPWAXYJQTG-WHLNPGIBSA-N 0 0 303.402 3.114 20 10 DGCDRN CC1=CC[C@@](C)(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CC1 ZINC000831931813 629429445 /nfs/dbraw/zinc/42/94/45/629429445.db2.gz VCNIIUYYHZNBDF-FZKQIMNGSA-N 0 0 303.402 3.282 20 10 DGCDRN Cc1cccc2c1N(C1CC1)CCN2C(=O)C1=CC(=O)CS1 ZINC000832369467 629472109 /nfs/dbraw/zinc/47/21/09/629472109.db2.gz MZIQHMCEBKBEAL-UHFFFAOYSA-N 0 0 314.410 3.391 20 10 DGCDRN Cc1cc(C[N@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC000832882525 629527090 /nfs/dbraw/zinc/52/70/90/629527090.db2.gz KABYNORWQPVXBG-GXTWGEPZSA-N 0 0 305.418 3.151 20 10 DGCDRN Cc1cc(C[N@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC000832882526 629527262 /nfs/dbraw/zinc/52/72/62/629527262.db2.gz KABYNORWQPVXBG-JSGCOSHPSA-N 0 0 305.418 3.151 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCC[C@@H](C)CCO ZINC000833223203 629572049 /nfs/dbraw/zinc/57/20/49/629572049.db2.gz PSPYTBREWOEGJU-GFCCVEGCSA-N 0 0 320.458 3.294 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCn3ccnc32)cc1 ZINC000833303803 629580675 /nfs/dbraw/zinc/58/06/75/629580675.db2.gz AOEZWHKXNNZCLT-KRWDZBQOSA-N 0 0 320.396 3.165 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]C2(CC(=O)[O-])CCC2)cc1F ZINC000833654566 629636028 /nfs/dbraw/zinc/63/60/28/629636028.db2.gz VLFUDPWCMMQKDE-UHFFFAOYSA-N 0 0 308.397 3.159 20 10 DGCDRN COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000833734030 629644448 /nfs/dbraw/zinc/64/44/48/629644448.db2.gz ZTVKOONQUVNROE-QLJPJBMISA-N 0 0 319.332 3.016 20 10 DGCDRN O=C([O-])N[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ccccc21 ZINC000834159707 629674731 /nfs/dbraw/zinc/67/47/31/629674731.db2.gz WAZQLNNIZWLSAM-DLBZAZTESA-N 0 0 324.380 3.165 20 10 DGCDRN O=C([O-])N[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ccccc21 ZINC000834159711 629674885 /nfs/dbraw/zinc/67/48/85/629674885.db2.gz WAZQLNNIZWLSAM-IRXDYDNUSA-N 0 0 324.380 3.165 20 10 DGCDRN C[C@H]1C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CCS1 ZINC000834630531 629743231 /nfs/dbraw/zinc/74/32/31/629743231.db2.gz CUCUYGYRBCHRDF-WCBMZHEXSA-N 0 0 323.439 3.326 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](O)C1CCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000834906675 629804792 /nfs/dbraw/zinc/80/47/92/629804792.db2.gz RTMNJWGRXZEFAJ-RNCFNFMXSA-N 0 0 303.324 3.223 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cnc(C)cc2C)c1 ZINC000834904362 629804884 /nfs/dbraw/zinc/80/48/84/629804884.db2.gz XJEJSJMVNQPAEZ-CYBMUJFWSA-N 0 0 314.385 3.041 20 10 DGCDRN COCC1(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])CCCC1 ZINC000834905085 629805040 /nfs/dbraw/zinc/80/50/40/629805040.db2.gz FICVSZGXWLGBOG-CYBMUJFWSA-N 0 0 321.417 3.036 20 10 DGCDRN CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000834905233 629805230 /nfs/dbraw/zinc/80/52/30/629805230.db2.gz USLFBSBJAGMGHQ-IHPUGEDLSA-N 0 0 320.216 3.154 20 10 DGCDRN C[C@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccc(Cl)c(Cl)c1[O-] ZINC000834908882 629805652 /nfs/dbraw/zinc/80/56/52/629805652.db2.gz MQDWHOMKZQMYPQ-RMLUDKJBSA-N 0 0 317.216 3.018 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1[O-])C(=O)NC ZINC000834911199 629806936 /nfs/dbraw/zinc/80/69/36/629806936.db2.gz HUMJELYLSCFIJM-NWDGAFQWSA-N 0 0 319.232 3.264 20 10 DGCDRN CCC(C)(C)OCC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000834916353 629808196 /nfs/dbraw/zinc/80/81/96/629808196.db2.gz WJTSOLBXWPOSCZ-GFCCVEGCSA-N 0 0 309.406 3.035 20 10 DGCDRN COCCN(C/C=C\c1ccc(N(C)C)cc1)CC(F)(F)F ZINC000835027588 629829101 /nfs/dbraw/zinc/82/91/01/629829101.db2.gz NCHWNUMEDRGJSS-PLNGDYQASA-N 0 0 316.367 3.277 20 10 DGCDRN CNC(=O)Cc1ccc(NC/C=C/c2ccc(N(C)C)cc2)cc1 ZINC000835028773 629829300 /nfs/dbraw/zinc/82/93/00/629829300.db2.gz KSLCOSYZTVKJIZ-SNAWJCMRSA-N 0 0 323.440 3.166 20 10 DGCDRN COc1ccc(C[N@H+](C)C/C=C\c2ccc(N(C)C)cc2)cn1 ZINC000835048763 629835713 /nfs/dbraw/zinc/83/57/13/629835713.db2.gz XYACAHWXAIRBKO-WAYWQWQTSA-N 0 0 311.429 3.301 20 10 DGCDRN CN(C)c1ccc(/C=C/CNc2ccc(C3(O)COC3)cc2)cc1 ZINC000835054736 629838659 /nfs/dbraw/zinc/83/86/59/629838659.db2.gz XTGQLDRICYCDFT-ONEGZZNKSA-N 0 0 324.424 3.096 20 10 DGCDRN C[C@H](F)CCNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000836289203 630094439 /nfs/dbraw/zinc/09/44/39/630094439.db2.gz FVOGYRHDASLJIF-HNNXBMFYSA-N 0 0 321.440 3.470 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NCC(C)(F)F)cc1F ZINC000836291272 630094830 /nfs/dbraw/zinc/09/48/30/630094830.db2.gz QUVLTZAXKJKZCF-UHFFFAOYSA-N 0 0 317.355 3.126 20 10 DGCDRN COC1(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCCC1 ZINC000836405927 630110123 /nfs/dbraw/zinc/11/01/23/630110123.db2.gz ONPBUOPBJUWHMX-AWEZNQCLSA-N 0 0 319.449 3.072 20 10 DGCDRN CCC(C)(C)OCCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000836406082 630110142 /nfs/dbraw/zinc/11/01/42/630110142.db2.gz PRBXCSCSOUFDPC-CQSZACIVSA-N 0 0 321.465 3.318 20 10 DGCDRN CC[C@H](C)[C@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)OC ZINC000836407463 630110962 /nfs/dbraw/zinc/11/09/62/630110962.db2.gz ZXMRPXJRTDCKKJ-VBQJREDUSA-N 0 0 321.465 3.174 20 10 DGCDRN O=C(NCC[C@@H]1CCc2ccccc21)NCc1ccccc1O ZINC000836528955 630128757 /nfs/dbraw/zinc/12/87/57/630128757.db2.gz TUJOPQITVGLIAW-HNNXBMFYSA-N 0 0 310.397 3.312 20 10 DGCDRN C[C@@]1(CCNC(=O)NCc2ccccc2O)CC1(Cl)Cl ZINC000836620645 630142779 /nfs/dbraw/zinc/14/27/79/630142779.db2.gz PZIQVUKCGDIADS-CYBMUJFWSA-N 0 0 317.216 3.165 20 10 DGCDRN COc1ccc(CNC(=O)NCC2(C3CCC3)CCC2)c(O)c1 ZINC000836672408 630149114 /nfs/dbraw/zinc/14/91/14/630149114.db2.gz GUHQQIDFHQEBED-UHFFFAOYSA-N 0 0 318.417 3.170 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@H](C2CC2)C2CCC2)cc1F ZINC000836686742 630150900 /nfs/dbraw/zinc/15/09/00/630150900.db2.gz DKFGNMLKYZZVQJ-KRWDZBQOSA-N 0 0 319.424 3.270 20 10 DGCDRN C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccnc1)c1ccc(N(C)C)cc1 ZINC000836782985 630162811 /nfs/dbraw/zinc/16/28/11/630162811.db2.gz OXUCGFAEJNWWLS-JEBQAFNWSA-N 0 0 309.413 3.129 20 10 DGCDRN CC[C@@H](NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)[C@H](C)O ZINC000836860678 630175306 /nfs/dbraw/zinc/17/53/06/630175306.db2.gz YVBXXXYZXGUDGP-SUMWQHHRSA-N 0 0 318.392 3.122 20 10 DGCDRN C[C@@H]1CCc2c(C(=O)NCc3ccc(N)cc3)csc2C1 ZINC000837303479 630237589 /nfs/dbraw/zinc/23/75/89/630237589.db2.gz RRPCANVLWVPJMS-LLVKDONJSA-N 0 0 300.427 3.385 20 10 DGCDRN CC(C)CCCCC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000837358934 630247729 /nfs/dbraw/zinc/24/77/29/630247729.db2.gz DEPLYJUADNIAAT-UHFFFAOYSA-N 0 0 318.461 3.356 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC2(C3CCC3)CCC2)cc1 ZINC000837379592 630250811 /nfs/dbraw/zinc/25/08/11/630250811.db2.gz JAYHVFXHWRIDCZ-UHFFFAOYSA-N 0 0 301.434 3.275 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@]2(C)CCCCO2)cc1F ZINC000837405226 630253449 /nfs/dbraw/zinc/25/34/49/630253449.db2.gz PBPYPSJNAVNZNC-SFHVURJKSA-N 0 0 322.424 3.247 20 10 DGCDRN CC[C@H](CC(F)F)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000837485955 630265638 /nfs/dbraw/zinc/26/56/38/630265638.db2.gz SIEBGBPIWVHERH-NXEZZACHSA-N 0 0 301.333 3.259 20 10 DGCDRN C[C@@H](C(=O)NCc1cccc(Br)c1O)C1CCC1 ZINC000837581511 630279148 /nfs/dbraw/zinc/27/91/48/630279148.db2.gz JOISUOSPVOCATD-SECBINFHSA-N 0 0 312.207 3.207 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCC1CCC(F)(F)CC1 ZINC000837587212 630280422 /nfs/dbraw/zinc/28/04/22/630280422.db2.gz JCBBOJOIJGQYPS-RQOWECAXSA-N 0 0 312.312 3.480 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000837606364 630284619 /nfs/dbraw/zinc/28/46/19/630284619.db2.gz URGAWBYYUXJROU-IMJJTQAJSA-N 0 0 315.413 3.136 20 10 DGCDRN CCCN1CC(=O)N[C@@H]1c1cc(Cl)c2ccccc2c1O ZINC000840824433 630362798 /nfs/dbraw/zinc/36/27/98/630362798.db2.gz MDFYACDFLJSJKJ-INIZCTEOSA-N 0 0 304.777 3.039 20 10 DGCDRN COc1ccc(O)c([C@H](C)Nc2cccc3c2CN(C)C3=O)c1 ZINC000840856700 630367917 /nfs/dbraw/zinc/36/79/17/630367917.db2.gz JTSDGIJTZAAHGB-NSHDSACASA-N 0 0 312.369 3.160 20 10 DGCDRN Cc1cc(O)c(C[N@H+]2CCC[C@H](c3ccnn3C)C2)c(Cl)c1 ZINC000840912032 630376310 /nfs/dbraw/zinc/37/63/10/630376310.db2.gz YGLWYDIUMLBILL-ZDUSSCGKSA-N 0 0 319.836 3.467 20 10 DGCDRN Cc1cc(O)c(C[N@H+]2CCCN(C(=O)C(C)C)CC2)c(Cl)c1 ZINC000840911334 630376754 /nfs/dbraw/zinc/37/67/54/630376754.db2.gz WKZSWYHTHNEKID-UHFFFAOYSA-N 0 0 324.852 3.044 20 10 DGCDRN Cc1cc(O)c(CN(C)Cc2nnc3ccccn32)c(Cl)c1 ZINC000840912639 630377431 /nfs/dbraw/zinc/37/74/31/630377431.db2.gz LITBBJSXJLNFLU-UHFFFAOYSA-N 0 0 316.792 3.029 20 10 DGCDRN COc1ccc(NCc2ccc(N(C)C)cc2C)cc1CO ZINC000840925382 630379393 /nfs/dbraw/zinc/37/93/93/630379393.db2.gz LVWHDAKTGMHWDT-UHFFFAOYSA-N 0 0 300.402 3.174 20 10 DGCDRN CCN(CC)c1ccc(CNCc2ccn(CC)n2)cc1F ZINC000840955701 630384230 /nfs/dbraw/zinc/38/42/30/630384230.db2.gz VFPUFIWDRPISJX-UHFFFAOYSA-N 0 0 304.413 3.178 20 10 DGCDRN Cc1cccc(CN([C@H](C)C(=O)OC(C)(C)C)C2CC2)c1O ZINC000840958761 630385848 /nfs/dbraw/zinc/38/58/48/630385848.db2.gz RZELJNDUEJGRDX-CYBMUJFWSA-N 0 0 305.418 3.395 20 10 DGCDRN Nc1ccc(Cc2nc(-c3nc(CC4CC4)no3)cs2)cc1 ZINC000840993881 630391837 /nfs/dbraw/zinc/39/18/37/630391837.db2.gz KRGRPBHDALNSAD-UHFFFAOYSA-N 0 0 312.398 3.319 20 10 DGCDRN O=C([O-])c1ccc(C[NH2+]CCCSc2nccs2)cc1 ZINC000840994611 630392023 /nfs/dbraw/zinc/39/20/23/630392023.db2.gz VESJSSPBEAVDPU-UHFFFAOYSA-N 0 0 308.428 3.113 20 10 DGCDRN CC[C@H](C)[N@H+](CC(=O)[O-])Cc1ccc(N2CCCCC2)cc1 ZINC000840996659 630392407 /nfs/dbraw/zinc/39/24/07/630392407.db2.gz GLNGYQCSJGLRBH-HNNXBMFYSA-N 0 0 304.434 3.362 20 10 DGCDRN Cc1cc(O)c(C[N@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1C ZINC000840997405 630392487 /nfs/dbraw/zinc/39/24/87/630392487.db2.gz DKTZJOSPWQZKSA-BPUTZDHNSA-N 0 0 303.402 3.227 20 10 DGCDRN O=C([O-])[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000840997444 630393170 /nfs/dbraw/zinc/39/31/70/630393170.db2.gz KBSAEFCWKZMZOG-KRWDZBQOSA-N 0 0 302.418 3.116 20 10 DGCDRN CCC(CC)[C@@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)CCO1 ZINC000841296250 630424034 /nfs/dbraw/zinc/42/40/34/630424034.db2.gz RWEMNHPXVDAGPE-HOTGVXAUSA-N 0 0 305.422 3.374 20 10 DGCDRN Nc1ccc(NC(=O)N2CCC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000841295824 630424233 /nfs/dbraw/zinc/42/42/33/630424233.db2.gz GXGJTZYNKSKSIX-IBGZPJMESA-N 0 0 323.396 3.322 20 10 DGCDRN CCC(CC)[C@@H]1C[C@H](NC(=O)Nc2ccc(N)cc2)CCO1 ZINC000841296249 630424242 /nfs/dbraw/zinc/42/42/42/630424242.db2.gz RWEMNHPXVDAGPE-CVEARBPZSA-N 0 0 305.422 3.374 20 10 DGCDRN CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(N)cc2)C12CCC2 ZINC000841298170 630424573 /nfs/dbraw/zinc/42/45/73/630424573.db2.gz MZMJLFLQKAETNH-HUUCEWRRSA-N 0 0 303.406 3.080 20 10 DGCDRN Nc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)cc1 ZINC000841296704 630424660 /nfs/dbraw/zinc/42/46/60/630424660.db2.gz XQFPPRRWBXEOLG-YOEHRIQHSA-N 0 0 311.385 3.168 20 10 DGCDRN Cc1cnc([C@H](NC(=O)Nc2ccc(N)cc2)C2CC2)s1 ZINC000841299541 630424955 /nfs/dbraw/zinc/42/49/55/630424955.db2.gz IPHRXISFVQUGOA-CYBMUJFWSA-N 0 0 302.403 3.307 20 10 DGCDRN Nc1ccc(NC(=O)NCCCOCCc2ccccc2)cc1 ZINC000841301111 630424964 /nfs/dbraw/zinc/42/49/64/630424964.db2.gz ATLDRUWDEKEJAM-UHFFFAOYSA-N 0 0 313.401 3.040 20 10 DGCDRN Nc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@@H]2CCCO2)cc1 ZINC000841301192 630425516 /nfs/dbraw/zinc/42/55/16/630425516.db2.gz FKLJNXDVVSYGRB-IRXDYDNUSA-N 0 0 311.385 3.311 20 10 DGCDRN C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@H](c2ccccc2)O1 ZINC000841301248 630425540 /nfs/dbraw/zinc/42/55/40/630425540.db2.gz HDQLFEVMUMDOSY-CXAGYDPISA-N 0 0 311.385 3.263 20 10 DGCDRN CO[C@@H](CC(C)C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000841347377 630431672 /nfs/dbraw/zinc/43/16/72/630431672.db2.gz RNIFJVHNQJQGAL-YJBOKZPZSA-N 0 0 320.477 3.169 20 10 DGCDRN C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841580836 630446199 /nfs/dbraw/zinc/44/61/99/630446199.db2.gz LRUYVVRLWKMQER-OWCLPIDISA-N 0 0 313.445 3.249 20 10 DGCDRN Nc1ccc(CCNC(=O)NCC2(c3ccccc3)CCC2)cc1 ZINC000841673114 630454006 /nfs/dbraw/zinc/45/40/06/630454006.db2.gz GHJJPIPOCNWYLI-UHFFFAOYSA-N 0 0 323.440 3.232 20 10 DGCDRN Cc1ccccc1C[C@@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841718398 630459137 /nfs/dbraw/zinc/45/91/37/630459137.db2.gz QRODIKAFIPQARQ-OAHLLOKOSA-N 0 0 311.429 3.050 20 10 DGCDRN C[C@@H]1C[C@H]1c1ccc(CNC(=O)NCCc2ccc(N)cc2)o1 ZINC000841718998 630459200 /nfs/dbraw/zinc/45/92/00/630459200.db2.gz YEEYSFMLSPMLRS-MLGOLLRUSA-N 0 0 313.401 3.027 20 10 DGCDRN C[C@@H]([NH2+]CCCOC[C@@H]1CCOC1)c1ccc(Cl)cc1[O-] ZINC000841756414 630462879 /nfs/dbraw/zinc/46/28/79/630462879.db2.gz XSYCRAPKZVDKLH-OLZOCXBDSA-N 0 0 313.825 3.139 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccc(Cl)cc1[O-] ZINC000841765070 630463376 /nfs/dbraw/zinc/46/33/76/630463376.db2.gz UPTNFXOHLFGIGP-SCRDCRAPSA-N 0 0 324.852 3.343 20 10 DGCDRN CCC[C@@H]1CCCC[C@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841788084 630465127 /nfs/dbraw/zinc/46/51/27/630465127.db2.gz RHAJDQMFVVBAQF-NVXWUHKLSA-N 0 0 303.450 3.469 20 10 DGCDRN CCS[C@@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841855470 630471453 /nfs/dbraw/zinc/47/14/53/630471453.db2.gz PBTJABCBSPOXRM-JKSUJKDBSA-N 0 0 321.490 3.175 20 10 DGCDRN CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)NCCc1ccc(N)cc1 ZINC000841956121 630476780 /nfs/dbraw/zinc/47/67/80/630476780.db2.gz VWWYTVJOXUPHCE-IAGOWNOFSA-N 0 0 303.450 3.133 20 10 DGCDRN CC(C)(NC(=O)NCCc1ccc(N)cc1)c1ccccc1F ZINC000841955740 630476793 /nfs/dbraw/zinc/47/67/93/630476793.db2.gz LMJNNKPDEJCVTI-UHFFFAOYSA-N 0 0 315.392 3.185 20 10 DGCDRN CC[C@@H](C)[C@H](C)N(C(=O)NCCc1ccc(N)cc1)C1CC1 ZINC000841957147 630476950 /nfs/dbraw/zinc/47/69/50/630476950.db2.gz FRYJNDZLNFNMLW-KGLIPLIRSA-N 0 0 303.450 3.420 20 10 DGCDRN CC[C@H]1Cc2ccccc2CN1C(=O)NCCc1ccc(N)cc1 ZINC000841960160 630477152 /nfs/dbraw/zinc/47/71/52/630477152.db2.gz WOPWEMKIUZKZLC-IBGZPJMESA-N 0 0 323.440 3.358 20 10 DGCDRN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)NCCc1ccc(N)cc1 ZINC000841961032 630477332 /nfs/dbraw/zinc/47/73/32/630477332.db2.gz ZIQHNYBROYIVEL-UNEWFSDZSA-N 0 0 301.434 3.174 20 10 DGCDRN Cc1cccc([C@@H]2CCN(C(=O)NCCc3ccc(N)cc3)C2)c1 ZINC000841960390 630477350 /nfs/dbraw/zinc/47/73/50/630477350.db2.gz ORPIAYGIDGCDPO-GOSISDBHSA-N 0 0 323.440 3.319 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(F)(F)c2ccccc2)c1 ZINC000104901084 630573771 /nfs/dbraw/zinc/57/37/71/630573771.db2.gz ZUXTZKFQRFMSJU-LLVKDONJSA-N 0 0 321.323 3.370 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)[C@@H]3C[C@H]3C(C)C)C2)cc1 ZINC000842875089 630587903 /nfs/dbraw/zinc/58/79/03/630587903.db2.gz JXXAATTXJSVKQH-JCGIZDLHSA-N 0 0 317.429 3.357 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)C=C3CCC3)C2)cc1 ZINC000842878113 630588493 /nfs/dbraw/zinc/58/84/93/630588493.db2.gz HMEXWTVAMYYUCN-OAHLLOKOSA-N 0 0 301.386 3.175 20 10 DGCDRN Cn1c2ccc(OC(=O)c3cncnc3)cc2c2c1CCCC2 ZINC000843021876 630604824 /nfs/dbraw/zinc/60/48/24/630604824.db2.gz UDSLWQRJGPEUFZ-UHFFFAOYSA-N 0 0 307.353 3.066 20 10 DGCDRN Cc1ccc(CN(CC2CC2)C(=O)Nc2ccc(N)cc2)cn1 ZINC000843043322 630607531 /nfs/dbraw/zinc/60/75/31/630607531.db2.gz OMHYPWSQTFCGMQ-UHFFFAOYSA-N 0 0 310.401 3.416 20 10 DGCDRN [O-]c1c(Cl)cccc1CN1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000843118942 630615503 /nfs/dbraw/zinc/61/55/03/630615503.db2.gz QERPIERNZFPALP-INIZCTEOSA-N 0 0 320.795 3.331 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000843123961 630615917 /nfs/dbraw/zinc/61/59/17/630615917.db2.gz SNTXPXPPBWCTEY-HNNXBMFYSA-N 0 0 315.244 3.275 20 10 DGCDRN CCOCCC1(c2nc(Cc3ccc(N)cc3)no2)CCCC1 ZINC000843159970 630623409 /nfs/dbraw/zinc/62/34/09/630623409.db2.gz TWURKOWQJRKXDE-UHFFFAOYSA-N 0 0 315.417 3.481 20 10 DGCDRN CC(C)Cn1nccc1CN(C)Cc1ccc(N(C)C)cc1 ZINC000843391180 630651550 /nfs/dbraw/zinc/65/15/50/630651550.db2.gz OWAGHICJJGAYTF-UHFFFAOYSA-N 0 0 300.450 3.237 20 10 DGCDRN COc1ncncc1CN1CCCc2cc(OC(F)F)ccc21 ZINC000843402271 630652635 /nfs/dbraw/zinc/65/26/35/630652635.db2.gz FIBVKALZNUKCAZ-UHFFFAOYSA-N 0 0 321.327 3.039 20 10 DGCDRN Cc1cc(O)c(CN2CCO[C@]3(CCSC3)C2)c(Cl)c1 ZINC000843420289 630655737 /nfs/dbraw/zinc/65/57/37/630655737.db2.gz BAAVHWHOWMEBMO-OAHLLOKOSA-N 0 0 313.850 3.062 20 10 DGCDRN CCOc1cccc(C[N@@H+]2C[C@@H](C)OC3(CCCC3)C2)c1O ZINC000843435176 630658799 /nfs/dbraw/zinc/65/87/99/630658799.db2.gz QRTKNBHOPSKPOC-CQSZACIVSA-N 0 0 305.418 3.324 20 10 DGCDRN COc1cccc(CNC(=O)[C@@H]2CCCC[C@H]2C2CC2)c1O ZINC000843831897 630701766 /nfs/dbraw/zinc/70/17/66/630701766.db2.gz SIQVVXZESQWRLB-LSDHHAIUSA-N 0 0 303.402 3.233 20 10 DGCDRN COc1ccc(N(C[C@@H]2CN(C3CC3)C(=O)O2)C(C)C)cc1F ZINC000844306204 630717544 /nfs/dbraw/zinc/71/75/44/630717544.db2.gz GXPDSSKTRHBUDS-CQSZACIVSA-N 0 0 322.380 3.032 20 10 DGCDRN CCCC(C)(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000844340587 630720220 /nfs/dbraw/zinc/72/02/20/630720220.db2.gz AHJWZWXTDQKZOO-UHFFFAOYSA-N 0 0 322.424 3.105 20 10 DGCDRN COc1ccc(N(C)Cc2cc(F)cc3c2OCOC3)cc1 ZINC000844353097 630720647 /nfs/dbraw/zinc/72/06/47/630720647.db2.gz GMAKCYIWUQDBGH-UHFFFAOYSA-N 0 0 303.333 3.337 20 10 DGCDRN COc1ccc(N(C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000844353407 630720702 /nfs/dbraw/zinc/72/07/02/630720702.db2.gz VZIXHXWPFWVTIA-CQSZACIVSA-N 0 0 320.433 3.388 20 10 DGCDRN CCC[C@H](CC)S(=O)(=O)Nc1ccc(O)cc1OCC ZINC000844665808 630764224 /nfs/dbraw/zinc/76/42/24/630764224.db2.gz SCRKAHGJCLAEMC-LBPRGKRZSA-N 0 0 301.408 3.111 20 10 DGCDRN CC[C@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)[C@@H](C)CO1 ZINC000844734872 630819911 /nfs/dbraw/zinc/81/99/11/630819911.db2.gz ZYWGZEJXQRMJJA-WFASDCNBSA-N 0 0 307.434 3.395 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)c2oc(C)cc2C)cc1 ZINC000844853675 630943174 /nfs/dbraw/zinc/94/31/74/630943174.db2.gz BETULZBQAXNRES-UHFFFAOYSA-N 0 0 316.401 3.113 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)C2=C(C)CCC2)cc1 ZINC000844854439 630945129 /nfs/dbraw/zinc/94/51/29/630945129.db2.gz KVBBCDLCFGQARR-UHFFFAOYSA-N 0 0 302.418 3.090 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CC23CCCC3)cc1 ZINC000844854807 630945268 /nfs/dbraw/zinc/94/52/68/630945268.db2.gz NPLJVPRLIRMMDN-KRWDZBQOSA-N 0 0 316.445 3.170 20 10 DGCDRN COc1cccc(CNC(=O)/C=C(/C)c2ccc(F)cc2)c1O ZINC000105649439 630949644 /nfs/dbraw/zinc/94/96/44/630949644.db2.gz CIRCBKQYYRXHTG-BENRWUELSA-N 0 0 315.344 3.260 20 10 DGCDRN COc1cccc(CNC(=O)c2cccc(-n3cccc3)c2)c1O ZINC000105652859 630950502 /nfs/dbraw/zinc/95/05/02/630950502.db2.gz WGRHCENUDQJOKQ-UHFFFAOYSA-N 0 0 322.364 3.122 20 10 DGCDRN O=C(NCCCSc1nccs1)N1CCC12CCCC2 ZINC000845046338 631055364 /nfs/dbraw/zinc/05/53/64/631055364.db2.gz MUEYAQWIJYSRQR-UHFFFAOYSA-N 0 0 311.476 3.353 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCCC(F)(F)C1 ZINC000845062947 631063096 /nfs/dbraw/zinc/06/30/96/631063096.db2.gz FHEDBOTWPIJBNW-LLVKDONJSA-N 0 0 318.751 3.423 20 10 DGCDRN CSCC1(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000845114386 631079844 /nfs/dbraw/zinc/07/98/44/631079844.db2.gz JJSJRLGSFKGBRA-UHFFFAOYSA-N 0 0 306.475 3.244 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC[C@H](F)C1 ZINC000845261152 631156954 /nfs/dbraw/zinc/15/69/54/631156954.db2.gz ICKFIYDVQWSEMQ-HOCLYGCPSA-N 0 0 321.440 3.136 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@@H]2C2CCCC2)c1 ZINC000845834339 631198096 /nfs/dbraw/zinc/19/80/96/631198096.db2.gz SLRVMJDGJJKXGW-IUIKQTSFSA-N 0 0 303.402 3.404 20 10 DGCDRN COc1ccc(N(C)Cc2cc(OC)c(OC)cc2OC)cc1 ZINC000845998024 631205263 /nfs/dbraw/zinc/20/52/63/631205263.db2.gz ISTRFVVIUXVZEL-UHFFFAOYSA-N 0 0 317.385 3.357 20 10 DGCDRN C[C@@H](O)[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccccc1F ZINC000846015613 631206013 /nfs/dbraw/zinc/20/60/13/631206013.db2.gz CROKFUOURWIXEI-XIKOKIGWSA-N 0 0 320.383 3.243 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000846043042 631207937 /nfs/dbraw/zinc/20/79/37/631207937.db2.gz UTHMBAYZXLQPOV-INIZCTEOSA-N 0 0 313.800 3.480 20 10 DGCDRN COc1cccc([C@@H](C)Nc2cccc(CCCO)c2)c1O ZINC000846162382 631213056 /nfs/dbraw/zinc/21/30/56/631213056.db2.gz GSNFUWWRNIZEMD-CYBMUJFWSA-N 0 0 301.386 3.499 20 10 DGCDRN C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccccc1F ZINC000846182960 631213920 /nfs/dbraw/zinc/21/39/20/631213920.db2.gz MLNQALDGMLFLKU-WVQJBOLRSA-N 0 0 307.340 3.443 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@](C)(O)c1ccccc1 ZINC000846186132 631214099 /nfs/dbraw/zinc/21/40/99/631214099.db2.gz DSIJUMRTTBUIIL-JCGVRSQUSA-N 0 0 303.377 3.478 20 10 DGCDRN CC[C@@H]([NH2+][C@H](CO)CCF)c1ccc(Cl)c(Cl)c1[O-] ZINC000846208013 631214815 /nfs/dbraw/zinc/21/48/15/631214815.db2.gz FHLAAPMCHSIXRH-GZMMTYOYSA-N 0 0 310.196 3.460 20 10 DGCDRN CC[C@H]([NH2+][C@H](CO)CCF)c1cc(Cl)cc(Cl)c1[O-] ZINC000846209670 631214896 /nfs/dbraw/zinc/21/48/96/631214896.db2.gz RYPLDODPZRCIEJ-CABZTGNLSA-N 0 0 310.196 3.460 20 10 DGCDRN Cc1cc(C[N@@H+]2CCC[C@H]2CC(=O)[O-])ccc1N1CCCCC1 ZINC000846274214 631219095 /nfs/dbraw/zinc/21/90/95/631219095.db2.gz JDGDKUZJPBNHRK-KRWDZBQOSA-N 0 0 316.445 3.424 20 10 DGCDRN CCc1nc(C)c(C(=O)NCc2cc(Cl)ccc2O)s1 ZINC000846473194 631249847 /nfs/dbraw/zinc/24/98/47/631249847.db2.gz QYEOXCNSOOBVIU-UHFFFAOYSA-N 0 0 310.806 3.303 20 10 DGCDRN CCCCn1ncc(C(=O)NCc2cc(Cl)ccc2O)c1C ZINC000846474728 631250666 /nfs/dbraw/zinc/25/06/66/631250666.db2.gz BBZYESXTXVACDQ-UHFFFAOYSA-N 0 0 321.808 3.281 20 10 DGCDRN C/C(=C\c1ccncc1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000846841188 631323793 /nfs/dbraw/zinc/32/37/93/631323793.db2.gz ANRUGAGWZHSFHV-NTCAYCPXSA-N 0 0 321.424 3.184 20 10 DGCDRN C/C(=C\c1ccncc1)C(=O)NCc1ccc(N(C)C)cc1C ZINC000846876437 631336318 /nfs/dbraw/zinc/33/63/18/631336318.db2.gz SBTIVQKPFGFGIL-RVDMUPIBSA-N 0 0 309.413 3.176 20 10 DGCDRN C/C(=C\c1ccncc1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000847338742 631462744 /nfs/dbraw/zinc/46/27/44/631462744.db2.gz LHIBOYYNVGKNEV-JQIJEIRASA-N 0 0 321.424 3.402 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC1(C)CC=CC1 ZINC000847385610 631470194 /nfs/dbraw/zinc/47/01/94/631470194.db2.gz CXWHIHIQCWBBRS-HNNXBMFYSA-N 0 0 315.461 3.400 20 10 DGCDRN C[C@H](CC(=O)N(C)Cc1ccccc1O)N1CCc2ccccc21 ZINC000847570444 631491425 /nfs/dbraw/zinc/49/14/25/631491425.db2.gz PCTXKZXGMGALMD-OAHLLOKOSA-N 0 0 324.424 3.192 20 10 DGCDRN Cc1nn(C(C)C)cc1C(=O)NCc1cc(Cl)ccc1O ZINC000848243231 631632218 /nfs/dbraw/zinc/63/22/18/631632218.db2.gz VYEKOENOMBZUAO-UHFFFAOYSA-N 0 0 307.781 3.061 20 10 DGCDRN CC[C@@H]([NH2+]C[C@](C)(CO)OC)c1cc(Cl)cc(Cl)c1[O-] ZINC000848556401 631690649 /nfs/dbraw/zinc/69/06/49/631690649.db2.gz WRULUBMYRATZON-TZMCWYRMSA-N 0 0 322.232 3.137 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCc2ccccc2NC1=O)c1ccc(F)cc1[O-] ZINC000848558128 631691717 /nfs/dbraw/zinc/69/17/17/631691717.db2.gz JUODOSFDTFWGBD-ZBEGNZNMSA-N 0 0 314.360 3.135 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000848559409 631692616 /nfs/dbraw/zinc/69/26/16/631692616.db2.gz WIOKSPKHWCNLHF-SZOQZIPDSA-N 0 0 324.440 3.070 20 10 DGCDRN CC[C@H]([NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-])[C@@H]1CCCCO1 ZINC000848567579 631695727 /nfs/dbraw/zinc/69/57/27/631695727.db2.gz ITLYIKXNYJBQMD-PVUWLOKVSA-N 0 0 321.417 3.177 20 10 DGCDRN CN(C)c1ccc(CN[C@@H](C[C@@H]2CCCO2)C(F)(F)F)cc1 ZINC000848572675 631698683 /nfs/dbraw/zinc/69/86/83/631698683.db2.gz VKZQPDVVNVBGDD-GJZGRUSLSA-N 0 0 316.367 3.342 20 10 DGCDRN FC(F)(F)[C@@H](C[C@@H]1CCCO1)NCc1ccc2c(c1)CCO2 ZINC000848573854 631699988 /nfs/dbraw/zinc/69/99/88/631699988.db2.gz KLEPEIODGUBHMR-DZGCQCFKSA-N 0 0 315.335 3.211 20 10 DGCDRN COc1cccc([N+](=O)[O-])c1NCc1ccc(N(C)C)cc1 ZINC000848642905 631716432 /nfs/dbraw/zinc/71/64/32/631716432.db2.gz DMZZWGAHSPPYLD-UHFFFAOYSA-N 0 0 301.346 3.282 20 10 DGCDRN CC(C)Oc1nc(NCc2ccccc2O)ccc1[N+](=O)[O-] ZINC000848660643 631721625 /nfs/dbraw/zinc/72/16/25/631721625.db2.gz IJROOHTVPNPCBB-UHFFFAOYSA-N 0 0 303.318 3.095 20 10 DGCDRN CCc1cccc(CN[C@H](C)c2nc(C(C)(C)C)no2)c1O ZINC000848906836 631782137 /nfs/dbraw/zinc/78/21/37/631782137.db2.gz XQLVIATXZSRTKF-LLVKDONJSA-N 0 0 303.406 3.486 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1Cc2ccccc2NC(=O)C1 ZINC000848926433 631791072 /nfs/dbraw/zinc/79/10/72/631791072.db2.gz XKTSIUZKFLTTLA-UHFFFAOYSA-N 0 0 309.413 3.015 20 10 DGCDRN COc1ccc2c(c1)[C@H](C(=O)NCc1ccc(N)cc1)CCC2 ZINC000848940567 631792592 /nfs/dbraw/zinc/79/25/92/631792592.db2.gz PJIJGMYSQNGSHU-QGZVFWFLSA-N 0 0 310.397 3.014 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)c3ccccn3)cc2)CC1 ZINC000108296423 631843923 /nfs/dbraw/zinc/84/39/23/631843923.db2.gz UZUAKWMRHDFXIQ-UHFFFAOYSA-N 0 0 309.413 3.248 20 10 DGCDRN COc1ccc(C[NH2+][C@@H](C(=O)[O-])[C@H](C)c2ccccc2)cc1C ZINC000849230542 631859893 /nfs/dbraw/zinc/85/98/93/631859893.db2.gz IEHKPQMIRVPRKA-RDTXWAMCSA-N 0 0 313.397 3.350 20 10 DGCDRN CCc1nnc(NCc2cc(OC)cc(C(C)(C)C)c2O)o1 ZINC000849346455 631898220 /nfs/dbraw/zinc/89/82/20/631898220.db2.gz VTBAPDPJJWFFBU-UHFFFAOYSA-N 0 0 305.378 3.256 20 10 DGCDRN C[C@@H]1C[C@@H](C)CN(C(=O)CSc2ncc(Cl)s2)C1 ZINC000849998934 632024341 /nfs/dbraw/zinc/02/43/41/632024341.db2.gz UMOJGVXNLWOMNS-RKDXNWHRSA-N 0 0 304.868 3.393 20 10 DGCDRN O=C(COC(=O)C1CCC(C2CC2)CC1)c1ccc(O)c(O)c1 ZINC000850310158 632110481 /nfs/dbraw/zinc/11/04/81/632110481.db2.gz PXLWDWJSXPPLFI-UHFFFAOYSA-N 0 0 318.369 3.040 20 10 DGCDRN C[C@]1(CC[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1(F)F ZINC000850381049 632134159 /nfs/dbraw/zinc/13/41/59/632134159.db2.gz VAJPQVLTCDSJPP-LBPRGKRZSA-N 0 0 320.723 3.479 20 10 DGCDRN Cn1ncc(C2CCC2)c1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000850391120 632136837 /nfs/dbraw/zinc/13/68/37/632136837.db2.gz FVIPPIVEUQXQGL-UHFFFAOYSA-N 0 0 323.799 3.476 20 10 DGCDRN CC[C@@H]([NH2+]CCN(C)OC)c1ccc(Cl)c(Cl)c1[O-] ZINC000850479645 632165187 /nfs/dbraw/zinc/16/51/87/632165187.db2.gz YEBUCTCRUAOBFO-LLVKDONJSA-N 0 0 307.221 3.233 20 10 DGCDRN COC[C@H](CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])OC ZINC000850485682 632167593 /nfs/dbraw/zinc/16/75/93/632167593.db2.gz MNCKLVRUPSKNPN-MNOVXSKESA-N 0 0 321.339 3.113 20 10 DGCDRN C[C@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1ccc(F)cc1[O-] ZINC000850486010 632167829 /nfs/dbraw/zinc/16/78/29/632167829.db2.gz QIFYIUQCUGINCJ-QMMMGPOBSA-N 0 0 315.270 3.191 20 10 DGCDRN C[C@H]([NH2+][C@H]1C[C@@H](O)c2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000850529134 632181411 /nfs/dbraw/zinc/18/14/11/632181411.db2.gz PJHSBVYEFXXIGC-BNGAFQBXSA-N 0 0 305.324 3.499 20 10 DGCDRN CC[C@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1ccc(F)cc1[O-] ZINC000850532963 632183266 /nfs/dbraw/zinc/18/32/66/632183266.db2.gz QEOJNQNNPLEEIZ-CFVMTHIKSA-N 0 0 315.335 3.386 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccc(Cl)c(Cl)c1[O-] ZINC000850548234 632188932 /nfs/dbraw/zinc/18/89/32/632188932.db2.gz ZWMMLCWCMUZTIG-GZMMTYOYSA-N 0 0 317.216 3.018 20 10 DGCDRN C[C@H]([NH2+]CC1(O)CCC(C)(C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850552588 632191056 /nfs/dbraw/zinc/19/10/56/632191056.db2.gz OBRPIAVYIGRVRF-LBPRGKRZSA-N 0 0 322.405 3.282 20 10 DGCDRN C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000850585556 632202914 /nfs/dbraw/zinc/20/29/14/632202914.db2.gz ZICAIELZHGXLHW-XWCIJXRUSA-N 0 0 316.357 3.073 20 10 DGCDRN C[C@H]1CCCC[C@H]1NC(=S)NCc1ccc(N(C)C)cc1 ZINC000007500531 632204463 /nfs/dbraw/zinc/20/44/63/632204463.db2.gz CRPPDGSYRFUSBI-XJKSGUPXSA-N 0 0 305.491 3.295 20 10 DGCDRN Cc1cc(NC(=O)NCc2ccc(N(C)C)cc2C)ccc1N ZINC000850779543 632222784 /nfs/dbraw/zinc/22/27/84/632222784.db2.gz JUUVYDIHFOPKSL-UHFFFAOYSA-N 0 0 312.417 3.273 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)C3CC4(CC4)C3)C2)cc1 ZINC000851098940 632309602 /nfs/dbraw/zinc/30/96/02/632309602.db2.gz LYLZYZMUBGTXKR-CQSZACIVSA-N 0 0 315.413 3.255 20 10 DGCDRN Cc1cc(C[N@@H+]2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)ccc1N(C)C ZINC000851708584 632471483 /nfs/dbraw/zinc/47/14/83/632471483.db2.gz INBXBLCNVKKKRT-LPHOPBHVSA-N 0 0 316.445 3.138 20 10 DGCDRN CN(C)c1ccc(C[N@@H+]2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC000851708829 632472251 /nfs/dbraw/zinc/47/22/51/632472251.db2.gz MSGZQLNALBPZRJ-MOPGFXCFSA-N 0 0 324.424 3.053 20 10 DGCDRN COc1ccc(N(C)Cc2ccc(F)cc2[N+](=O)[O-])cc1OC ZINC000851735319 632479525 /nfs/dbraw/zinc/47/95/25/632479525.db2.gz SQLNQIDXHHLZIJ-UHFFFAOYSA-N 0 0 320.320 3.388 20 10 DGCDRN Oc1ccccc1C[N@@H+](Cc1cccc(F)n1)C[C@@H]1CCCO1 ZINC000851840133 632506622 /nfs/dbraw/zinc/50/66/22/632506622.db2.gz ACEXYSFHCVSHDP-INIZCTEOSA-N 0 0 316.376 3.108 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)NCCC(C)(C)C)C2)cc1 ZINC000851957960 632529507 /nfs/dbraw/zinc/52/95/07/632529507.db2.gz VDQQTPJWOVBMMP-CQSZACIVSA-N 0 0 319.449 3.009 20 10 DGCDRN CN(C[C@H]1CCC(=O)O1)c1ccc(OCc2ccccc2)cc1 ZINC000851966159 632530720 /nfs/dbraw/zinc/53/07/20/632530720.db2.gz ZKFSMFWUEZKQDI-GOSISDBHSA-N 0 0 311.381 3.407 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CCO[C@@](C)(C3CC3)C2)c1O ZINC000852322405 632586054 /nfs/dbraw/zinc/58/60/54/632586054.db2.gz IULQPQGIYCHOIY-QGZVFWFLSA-N 0 0 323.820 3.249 20 10 DGCDRN CC[C@H](C)CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852450675 632605932 /nfs/dbraw/zinc/60/59/32/632605932.db2.gz RFXDPVWDQIWCCD-LSDHHAIUSA-N 0 0 319.449 3.009 20 10 DGCDRN C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc(F)cc1[O-] ZINC000184896767 660194316 /nfs/dbraw/zinc/19/43/16/660194316.db2.gz RESPIHOXCAFCHL-NSHDSACASA-N 0 0 303.333 3.153 20 10 DGCDRN Cc1ccc([C@H](C)[NH2+]CCN2CCc3ccccc3C2)c(O)c1 ZINC000184923862 660195308 /nfs/dbraw/zinc/19/53/08/660195308.db2.gz WUIQHOAHGDSOBL-INIZCTEOSA-N 0 0 310.441 3.410 20 10 DGCDRN CCCCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000072576678 660203194 /nfs/dbraw/zinc/20/31/94/660203194.db2.gz NQKIZNPHIYNHNG-GOSISDBHSA-N 0 0 318.461 3.450 20 10 DGCDRN O=C(Nc1ccc(OC2CCC2)c(F)c1)c1cccc(O)c1O ZINC000185795719 660243092 /nfs/dbraw/zinc/24/30/92/660243092.db2.gz QZRDNQUXUHEGHQ-UHFFFAOYSA-N 0 0 317.316 3.421 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)Cc3ccco3)cc2)CC1 ZINC000269044099 660279715 /nfs/dbraw/zinc/27/97/15/660279715.db2.gz UQNQMWYCSSJABR-UHFFFAOYSA-N 0 0 312.413 3.375 20 10 DGCDRN C[C@H](Nc1ccc2c(c1)N(C)C(=O)CO2)c1cc(F)ccc1O ZINC000186326758 660369361 /nfs/dbraw/zinc/36/93/61/660369361.db2.gz YXKNVSCPNQTNGN-JTQLQIEISA-N 0 0 316.332 3.060 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(F)ccc1O)[C@H](c1ccccc1)N(C)C ZINC000186457405 660443586 /nfs/dbraw/zinc/44/35/86/660443586.db2.gz WESWTOPVHCWSRG-SCLBCKFNSA-N 0 0 302.393 3.312 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CC1(Cl)Cl ZINC000028333303 660572849 /nfs/dbraw/zinc/57/28/49/660572849.db2.gz SZBLRPLPZKIOJN-ZDUSSCGKSA-N 0 0 313.228 3.097 20 10 DGCDRN O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cccc(O)c1O ZINC000186801254 660575212 /nfs/dbraw/zinc/57/52/12/660575212.db2.gz HIHQWTJDRQSTRY-GFCCVEGCSA-N 0 0 319.357 3.204 20 10 DGCDRN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cccc(O)c1O ZINC000186844977 660577511 /nfs/dbraw/zinc/57/75/11/660577511.db2.gz ICXOJPATYVUKMQ-SECBINFHSA-N 0 0 307.296 3.209 20 10 DGCDRN O=C(N[C@H]1CCSc2c(F)cccc21)c1cccc(O)c1O ZINC000186923663 660587320 /nfs/dbraw/zinc/58/73/20/660587320.db2.gz WPFMEUJYBKVVNM-LBPRGKRZSA-N 0 0 319.357 3.204 20 10 DGCDRN COc1cccc(CNC(=O)N[C@@H]2CCC[C@@H](C(C)C)C2)c1O ZINC000074091699 660613201 /nfs/dbraw/zinc/61/32/01/660613201.db2.gz WVKNESUHYCBHDM-UKRRQHHQSA-N 0 0 320.433 3.415 20 10 DGCDRN CC[C@H]1CO[C@H](C)CN1Cc1c(O)cccc1Br ZINC000707146664 660893607 /nfs/dbraw/zinc/89/36/07/660893607.db2.gz QDPJWOLCPRYMHV-MNOVXSKESA-N 0 0 314.223 3.154 20 10 DGCDRN CC[C@@H](C[NH2+]Cc1cc(Cl)cc(Br)c1[O-])OC ZINC000708100273 660918037 /nfs/dbraw/zinc/91/80/37/660918037.db2.gz UWVCWUVUEFRFSB-JTQLQIEISA-N 0 0 322.630 3.323 20 10 DGCDRN CC[C@@H](COC)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708098521 660918130 /nfs/dbraw/zinc/91/81/30/660918130.db2.gz JDRZHZCJPPBASQ-JTQLQIEISA-N 0 0 322.630 3.323 20 10 DGCDRN CC[C@@H]1CN(Cc2ccc(Br)cc2O)C[C@@H](C)O1 ZINC000708351421 660920177 /nfs/dbraw/zinc/92/01/77/660920177.db2.gz XQCQPQMPBCZSGM-ZWNOBZJWSA-N 0 0 314.223 3.154 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709993520 660931424 /nfs/dbraw/zinc/93/14/24/660931424.db2.gz ZPMZWPLUFSSHPE-HNNXBMFYSA-N 0 0 315.244 3.275 20 10 DGCDRN CC1CCC(OCC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000792876904 660990465 /nfs/dbraw/zinc/99/04/65/660990465.db2.gz AFSDYTDPUQWYOA-UHFFFAOYSA-N 0 0 318.461 3.306 20 10 DGCDRN COc1ccc(CNC(=O)NC[C@H](C)c2ccccc2)c(O)c1 ZINC000792794736 660985249 /nfs/dbraw/zinc/98/52/49/660985249.db2.gz LQBMZMXZOWXUEA-ZDUSSCGKSA-N 0 0 314.385 3.004 20 10 DGCDRN CN(C)c1ccc(CN2CCc3c[nH]nc3C2)c(C(F)(F)F)c1 ZINC000792829249 660987172 /nfs/dbraw/zinc/98/71/72/660987172.db2.gz NCELMYDNZYVTNU-UHFFFAOYSA-N 0 0 324.350 3.053 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2Cc3ccc(F)cc32)cc1 ZINC000792878550 660990924 /nfs/dbraw/zinc/99/09/24/660990924.db2.gz UAOFDVVSPDGKIM-GOSISDBHSA-N 0 0 312.388 3.190 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H](C)c2ccc(C)s2)c(O)c1 ZINC000792898133 660992237 /nfs/dbraw/zinc/99/22/37/660992237.db2.gz HGWKJNWCTNEGSS-NSHDSACASA-N 0 0 320.414 3.331 20 10 DGCDRN COc1ccc(CNC(=O)NCC[C@H]2CCC[C@@H](C)C2)c(O)c1 ZINC000792944720 660996030 /nfs/dbraw/zinc/99/60/30/660996030.db2.gz DNFYCULPTLBORV-ZIAGYGMSSA-N 0 0 320.433 3.416 20 10 DGCDRN COc1ccc(CNC(=O)N[C@H](C)CCC(C)(C)C)c(O)c1 ZINC000792951254 660996512 /nfs/dbraw/zinc/99/65/12/660996512.db2.gz PZYYJQYCLWXDHV-GFCCVEGCSA-N 0 0 308.422 3.415 20 10 DGCDRN COc1ccc(CNC(=O)NCC2(C)CCCCC2)c(O)c1 ZINC000792996433 660999032 /nfs/dbraw/zinc/99/90/32/660999032.db2.gz FEBDSSKLIDILMC-UHFFFAOYSA-N 0 0 306.406 3.170 20 10 DGCDRN COc1ccc(CNC(=O)N[C@H]2CCCCC2(C)C)c(O)c1 ZINC000792998935 660999311 /nfs/dbraw/zinc/99/93/11/660999311.db2.gz VIAJJTXOFFTRQC-HNNXBMFYSA-N 0 0 306.406 3.169 20 10 DGCDRN COc1ccc(CNC(=O)NCC2CCC(C)(C)CC2)c(O)c1 ZINC000793022455 661000286 /nfs/dbraw/zinc/00/02/86/661000286.db2.gz UXDJVDKQMYLIPQ-UHFFFAOYSA-N 0 0 320.433 3.416 20 10 DGCDRN CO[C@@H]1CCC[C@H](CC(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000793512171 661039956 /nfs/dbraw/zinc/03/99/56/661039956.db2.gz AHNVGFVNRSQUEC-MAUKXSAKSA-N 0 0 318.461 3.273 20 10 DGCDRN CO[C@H]1CCC[C@H](CC(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000793512173 661040116 /nfs/dbraw/zinc/04/01/16/661040116.db2.gz AHNVGFVNRSQUEC-YJBOKZPZSA-N 0 0 318.461 3.273 20 10 DGCDRN Cc1cc(C(=O)OC[C@@H]2CCO[C@H]2C)c(C)n1-c1ccccn1 ZINC000793418519 661032332 /nfs/dbraw/zinc/03/23/32/661032332.db2.gz CDQVSCGXJNOBCS-GJZGRUSLSA-N 0 0 314.385 3.071 20 10 DGCDRN CN1CCCc2cc(CNC(=O)NCCC3(F)CCC3)ccc21 ZINC000806045341 661072872 /nfs/dbraw/zinc/07/28/72/661072872.db2.gz UBYIBQJCOGKYJC-UHFFFAOYSA-N 0 0 319.424 3.151 20 10 DGCDRN CCc1ccc(CCC(=O)NCc2ccc(OC)cc2O)cc1 ZINC000794369135 661080959 /nfs/dbraw/zinc/08/09/59/661080959.db2.gz CMFHEIAUNFYVCB-UHFFFAOYSA-N 0 0 313.397 3.212 20 10 DGCDRN COc1ccc(CNC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)c(O)c1 ZINC000794369570 661080967 /nfs/dbraw/zinc/08/09/67/661080967.db2.gz HTMCQSTXSWNQRK-ZBFHGGJFSA-N 0 0 303.402 3.255 20 10 DGCDRN COc1ccc(CNC(=O)C(C)(C)c2ccc(F)cc2)c(O)c1 ZINC000794373821 661081453 /nfs/dbraw/zinc/08/14/53/661081453.db2.gz MQHHEFZCJVTSEQ-UHFFFAOYSA-N 0 0 317.360 3.134 20 10 DGCDRN COc1ccc(CNC(=O)c2cc(C)c(F)c(C)c2)c(O)c1 ZINC000794372592 661081554 /nfs/dbraw/zinc/08/15/54/661081554.db2.gz BCWXFGYCVQHCKG-UHFFFAOYSA-N 0 0 303.333 3.087 20 10 DGCDRN COc1ccc(CNC(=O)C(C)(C)c2ccc(C)cc2)c(O)c1 ZINC000794380597 661081853 /nfs/dbraw/zinc/08/18/53/661081853.db2.gz FFDSHYBKNFPDNI-UHFFFAOYSA-N 0 0 313.397 3.303 20 10 DGCDRN CCOCCC1(C(=O)NCc2ccc(OC)cc2O)CCCC1 ZINC000794381089 661081896 /nfs/dbraw/zinc/08/18/96/661081896.db2.gz KOWBPDQIVIIDNL-UHFFFAOYSA-N 0 0 321.417 3.004 20 10 DGCDRN C=Cc1ccc(CCNC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000794385353 661082136 /nfs/dbraw/zinc/08/21/36/661082136.db2.gz POYDBMTZLMIINB-NTMALXAHSA-N 0 0 309.365 3.113 20 10 DGCDRN CCc1nc(C)c(CN(C)c2cc(OC)c(OC)c(OC)c2)o1 ZINC000794385349 661082293 /nfs/dbraw/zinc/08/22/93/661082293.db2.gz PMONZXMRHKAGRY-UHFFFAOYSA-N 0 0 320.389 3.208 20 10 DGCDRN COc1ccc(CNC(=O)Cc2cc3ccccc3o2)c(O)c1 ZINC000794382546 661082343 /nfs/dbraw/zinc/08/23/43/661082343.db2.gz YKRMWIHZWNAJJP-UHFFFAOYSA-N 0 0 311.337 3.006 20 10 DGCDRN COc1ccc(CNC(=O)CCc2ccc3[nH]ccc3c2)c(O)c1 ZINC000794389756 661082534 /nfs/dbraw/zinc/08/25/34/661082534.db2.gz CWPIGCIUJWWWMM-UHFFFAOYSA-N 0 0 324.380 3.131 20 10 DGCDRN COc1ccc(CNC(=O)c2coc3cc(F)ccc23)c(O)c1 ZINC000794388636 661082573 /nfs/dbraw/zinc/08/25/73/661082573.db2.gz YWUUUCSWSRMCCL-UHFFFAOYSA-N 0 0 315.300 3.216 20 10 DGCDRN COc1ccc(CNC(=O)[C@H](C)Cc2ccc(F)cc2)c(O)c1 ZINC000794390713 661082589 /nfs/dbraw/zinc/08/25/89/661082589.db2.gz PAADDLNATIMAOX-GFCCVEGCSA-N 0 0 317.360 3.035 20 10 DGCDRN COc1ccc(CNC(=O)C/C=C\c2cccc(F)c2)c(O)c1 ZINC000794387580 661082630 /nfs/dbraw/zinc/08/26/30/661082630.db2.gz LLLMNNZOCAXACG-HYXAFXHYSA-N 0 0 315.344 3.260 20 10 DGCDRN COc1ccc(CNC(=O)c2ccccc2SC)c(O)c1 ZINC000794388946 661082656 /nfs/dbraw/zinc/08/26/56/661082656.db2.gz CMRAESGBSFCMMS-UHFFFAOYSA-N 0 0 303.383 3.053 20 10 DGCDRN COc1ccc(CNC(=O)CCCc2sccc2C)c(O)c1 ZINC000794390648 661082716 /nfs/dbraw/zinc/08/27/16/661082716.db2.gz NJARWXWULKIURT-UHFFFAOYSA-N 0 0 319.426 3.410 20 10 DGCDRN C[C@H](NC(=O)c1ncccc1Cl)c1ccc(N(C)C)cc1 ZINC000794431493 661084422 /nfs/dbraw/zinc/08/44/22/661084422.db2.gz BQNTWRBYARAYMZ-NSHDSACASA-N 0 0 303.793 3.292 20 10 DGCDRN COc1ccc(CNC(=O)Nc2nc(C(C)C)cs2)c(O)c1 ZINC000794761959 661104333 /nfs/dbraw/zinc/10/43/33/661104333.db2.gz MYYKKKORKZVZPJ-UHFFFAOYSA-N 0 0 321.402 3.302 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN[C@@H](c1ncc[nH]1)c1cccnc1 ZINC000794800521 661105587 /nfs/dbraw/zinc/10/55/87/661105587.db2.gz DGPZUUFAIYHCOL-GOSISDBHSA-N 0 0 321.428 3.058 20 10 DGCDRN COc1c2ccccc2[nH]c1C(=O)NCc1ccc(N(C)C)cc1 ZINC000794806825 661106086 /nfs/dbraw/zinc/10/60/86/661106086.db2.gz BPMQSZODWYARJK-UHFFFAOYSA-N 0 0 323.396 3.173 20 10 DGCDRN COC(=O)c1ccc(NCc2cc(C)c(C)cc2O)cc1OC ZINC000794973988 661118164 /nfs/dbraw/zinc/11/81/64/661118164.db2.gz YYEUIBVGTJBFMT-UHFFFAOYSA-N 0 0 315.369 3.416 20 10 DGCDRN COc1ccc(CNc2cc(Cl)nc(C3CC3)n2)c(O)c1 ZINC000795284981 661138420 /nfs/dbraw/zinc/13/84/20/661138420.db2.gz OVPFXMXHTMGNSV-UHFFFAOYSA-N 0 0 305.765 3.334 20 10 DGCDRN COc1ccc(CNc2cc(C(F)(F)F)nc(C)n2)c(O)c1 ZINC000795292057 661138592 /nfs/dbraw/zinc/13/85/92/661138592.db2.gz KERHOPSJQQUHPK-UHFFFAOYSA-N 0 0 313.279 3.130 20 10 DGCDRN CSCCC[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000306059184 655573612 /nfs/dbraw/zinc/57/36/12/655573612.db2.gz YLKGCECCQUHTRN-UHFFFAOYSA-N 0 0 301.839 3.433 20 10 DGCDRN Cc1cc(CN[C@H]([C@H]2CCOC2)C(F)(F)F)ccc1N(C)C ZINC000933007271 655670206 /nfs/dbraw/zinc/67/02/06/655670206.db2.gz JHFDITVWYUQJAB-DZGCQCFKSA-N 0 0 316.367 3.118 20 10 DGCDRN O=C(C1=CCCCO1)N(Cc1ccco1)Cc1ccccc1O ZINC000177915452 655675888 /nfs/dbraw/zinc/67/58/88/655675888.db2.gz FFWLGHFEEBKWJR-UHFFFAOYSA-N 0 0 313.353 3.208 20 10 DGCDRN CN1C(=O)/C(=C\c2ccc(OC(F)F)c(F)c2)SC1=S ZINC000255290912 655687415 /nfs/dbraw/zinc/68/74/15/655687415.db2.gz XPYBXPLGIRIEBI-WEVVVXLNSA-N 0 0 319.329 3.258 20 10 DGCDRN C[C@H]([NH2+]Cc1cncn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000289931260 655687991 /nfs/dbraw/zinc/68/79/91/655687991.db2.gz VLTQKFDYEOWNDS-QMMMGPOBSA-N 0 0 300.189 3.283 20 10 DGCDRN CCC(C)(C)OCC[NH2+]Cc1cccc(Br)c1[O-] ZINC000308722080 655711589 /nfs/dbraw/zinc/71/15/89/655711589.db2.gz DRRXBZGMYJPFAX-UHFFFAOYSA-N 0 0 316.239 3.450 20 10 DGCDRN CC[C@](C)(NC(=O)NCc1c(O)cccc1F)C(F)(F)F ZINC000933502333 655716757 /nfs/dbraw/zinc/71/67/57/655716757.db2.gz PZCLKCZYXLBGCS-LBPRGKRZSA-N 0 0 308.275 3.062 20 10 DGCDRN CC(C)C1(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000176041189 655721293 /nfs/dbraw/zinc/72/12/93/655721293.db2.gz PVGYSWMRQMLRLL-UHFFFAOYSA-N 0 0 303.450 3.330 20 10 DGCDRN COc1ccc(O)c(CNC(=O)/C=C/c2ccc(Cl)s2)c1 ZINC000178285082 655726697 /nfs/dbraw/zinc/72/66/97/655726697.db2.gz FORZSROWZZRHAK-QPJJXVBHSA-N 0 0 323.801 3.445 20 10 DGCDRN O=C(CCC1CCC1)NCc1ccc(N2CCSCC2)cc1 ZINC000176040772 655736822 /nfs/dbraw/zinc/73/68/22/655736822.db2.gz STUFUSWNTIFLQK-UHFFFAOYSA-N 0 0 318.486 3.436 20 10 DGCDRN COc1c([O-])c(C[NH2+]C[C@@H]2CCC[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000795999123 661184397 /nfs/dbraw/zinc/18/43/97/661184397.db2.gz HAFJZVBPOQZKRJ-UPJWGTAASA-N 0 0 322.405 3.471 20 10 DGCDRN COc1ccc(N(Cc2cccs2)C[C@H](O)CSC)cc1 ZINC000188050261 655793805 /nfs/dbraw/zinc/79/38/05/655793805.db2.gz NAUZRYOLFQZTMX-AWEZNQCLSA-N 0 0 323.483 3.487 20 10 DGCDRN C[C@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)c1ccc(F)cc1[O-] ZINC000320568449 655798955 /nfs/dbraw/zinc/79/89/55/655798955.db2.gz PPNKHFYNGVKUIH-LBPRGKRZSA-N 0 0 322.424 3.219 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000724814987 655813531 /nfs/dbraw/zinc/81/35/31/655813531.db2.gz XVJXSKKRGZQDSS-RNCFNFMXSA-N 0 0 302.201 3.310 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)COc1ccccc1 ZINC000052851198 655845313 /nfs/dbraw/zinc/84/53/13/655845313.db2.gz XGMXJIIFNXPHPB-UHFFFAOYSA-N 0 0 312.413 3.180 20 10 DGCDRN COc1ccc(N(Cc2ncnn2C)Cc2ccccc2)cc1 ZINC000176999878 655886017 /nfs/dbraw/zinc/88/60/17/655886017.db2.gz QPMWKZFLWOKLKG-UHFFFAOYSA-N 0 0 308.385 3.031 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccccc2OC(F)F)c(O)c1O ZINC000179406354 655891995 /nfs/dbraw/zinc/89/19/95/655891995.db2.gz PREAWQMGOMWEST-UHFFFAOYSA-N 0 0 309.268 3.260 20 10 DGCDRN O=C(/C=C/Sc1ccccc1)NCCc1ccc(O)c(O)c1 ZINC000179685550 655911488 /nfs/dbraw/zinc/91/14/88/655911488.db2.gz PZHQZMQHUJNKAL-PKNBQFBNSA-N 0 0 315.394 3.063 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc2[nH]cnc2c1 ZINC000066096744 655932111 /nfs/dbraw/zinc/93/21/11/655932111.db2.gz JZZCWRGSTTZPRC-UHFFFAOYSA-N 0 0 309.369 3.321 20 10 DGCDRN C[C@@H](NCc1cc[nH]n1)c1ccc(N2CCCCC2)c(F)c1 ZINC000177954810 655950958 /nfs/dbraw/zinc/95/09/58/655950958.db2.gz CZKUFIQDXVKLSE-CYBMUJFWSA-N 0 0 302.397 3.390 20 10 DGCDRN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(N2CCCC2)cc1 ZINC000178195515 655959645 /nfs/dbraw/zinc/95/96/45/655959645.db2.gz YHZOMUHPYLYUHM-HOTGVXAUSA-N 0 0 316.445 3.455 20 10 DGCDRN CCOc1ccc(/C=C2/SC(=S)N(C3CC3)C2=O)cc1 ZINC000293110120 655975938 /nfs/dbraw/zinc/97/59/38/655975938.db2.gz XHGZNHSYNWRUBF-UKTHLTGXSA-N 0 0 305.424 3.449 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]C[C@H]1CCCS1 ZINC000715789294 661214604 /nfs/dbraw/zinc/21/46/04/661214604.db2.gz OOEARNSOXMWXLM-SNVBAGLBSA-N 0 0 320.227 3.279 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc2ncccc21 ZINC000180592849 656093748 /nfs/dbraw/zinc/09/37/48/656093748.db2.gz MFPJPPATALURHM-VQHVLOKHSA-N 0 0 306.321 3.298 20 10 DGCDRN CCCc1csc(NC(=O)NCc2cc(OC)ccc2O)n1 ZINC000180631236 656094056 /nfs/dbraw/zinc/09/40/56/656094056.db2.gz JWMLXENLLJSDCP-UHFFFAOYSA-N 0 0 321.402 3.132 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1nccc2ccccc21 ZINC000183459428 656112808 /nfs/dbraw/zinc/11/28/08/656112808.db2.gz UQAKDLFXQBGJLM-GFCCVEGCSA-N 0 0 322.364 3.007 20 10 DGCDRN COc1ccc(O)c([C@H](C)Nc2cnn(Cc3ccncc3)c2)c1 ZINC000186389449 656131500 /nfs/dbraw/zinc/13/15/00/656131500.db2.gz LESDUXZYFOJZBW-ZDUSSCGKSA-N 0 0 324.384 3.214 20 10 DGCDRN Cc1cc(C)c(O)c(CN2CCn3c(C(C)C)nnc3[C@@H]2C)c1 ZINC000190226650 656159453 /nfs/dbraw/zinc/15/94/53/656159453.db2.gz HWGMAGDSWPHKQI-AWEZNQCLSA-N 0 0 314.433 3.301 20 10 DGCDRN Cc1cccc2c1O[C@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C2 ZINC000828860846 661232959 /nfs/dbraw/zinc/23/29/59/661232959.db2.gz IPDFAPYIGPLDIL-KSSFIOAISA-N 0 0 324.424 3.242 20 10 DGCDRN CC(C)CN(Cc1cc2c(cc1O)OCO2)CC(F)(F)F ZINC000123836540 656184227 /nfs/dbraw/zinc/18/42/27/656184227.db2.gz NNKBEVUSRMKCQR-UHFFFAOYSA-N 0 0 305.296 3.141 20 10 DGCDRN CCO[C@H]1C[C@H](N(C)C(=O)c2cccc(O)c2O)C1(CC)CC ZINC000193129710 656185618 /nfs/dbraw/zinc/18/56/18/656185618.db2.gz IDASIWHHACTCOG-GJZGRUSLSA-N 0 0 321.417 3.154 20 10 DGCDRN CSc1ccc(Cl)c(C(=O)NCc2ccc(O)c(O)c2)c1 ZINC000178444246 656324785 /nfs/dbraw/zinc/32/47/85/656324785.db2.gz GLSJHWBGWAURNO-UHFFFAOYSA-N 0 0 323.801 3.403 20 10 DGCDRN CCCN(C(=O)Cc1ccc(N)cc1)[C@H]1C[C@H](OCC)C1(C)C ZINC000236754340 656361073 /nfs/dbraw/zinc/36/10/73/656361073.db2.gz DFRKJOPWXFIGKJ-IRXDYDNUSA-N 0 0 318.461 3.254 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2cc(N)ccc2Cl)cc1 ZINC000314944441 656543696 /nfs/dbraw/zinc/54/36/96/656543696.db2.gz RJNJGDOHXQNQBP-UHFFFAOYSA-N 0 0 317.820 3.260 20 10 DGCDRN COC(=O)c1oc(CN(C)c2ccc(OC)cc2OC)cc1C ZINC000179006477 657388733 /nfs/dbraw/zinc/38/87/33/657388733.db2.gz UUPLXLWIIONLRR-UHFFFAOYSA-N 0 0 319.357 3.028 20 10 DGCDRN COc1ccc(N(C)Cc2cc(F)ccc2[N+](=O)[O-])c(OC)c1 ZINC000179008510 657389468 /nfs/dbraw/zinc/38/94/68/657389468.db2.gz CGBBFVOFILWKPJ-UHFFFAOYSA-N 0 0 320.320 3.388 20 10 DGCDRN Cc1ccc(C#N)cc1NCc1ccc(N2CCOCC2)cc1 ZINC000320633022 657390347 /nfs/dbraw/zinc/39/03/47/657390347.db2.gz KXJOMJYLKQLOFU-UHFFFAOYSA-N 0 0 307.397 3.315 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1csc(C2CC2)n1 ZINC000163191586 657487322 /nfs/dbraw/zinc/48/73/22/657487322.db2.gz ZVYMKAVKQYSZOP-UHFFFAOYSA-N 0 0 315.442 3.486 20 10 DGCDRN O=[N+]([O-])c1cnc(NCCCSc2nccs2)s1 ZINC000192454314 657494043 /nfs/dbraw/zinc/49/40/43/657494043.db2.gz GWBLBXPTCBWEDE-UHFFFAOYSA-N 0 0 302.406 3.102 20 10 DGCDRN CCOc1ccc(NC(=O)Cc2ccc(N)cc2)cc1OCC ZINC000320599519 657603389 /nfs/dbraw/zinc/60/33/89/657603389.db2.gz ZVVVCZUNHXOGIY-UHFFFAOYSA-N 0 0 314.385 3.247 20 10 DGCDRN Cc1ccccc1C(C)(C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000179094062 657695674 /nfs/dbraw/zinc/69/56/74/657695674.db2.gz DLQJOOYJRKJIPE-UHFFFAOYSA-N 0 0 313.397 3.043 20 10 DGCDRN COC(=O)[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000321406814 658186680 /nfs/dbraw/zinc/18/66/80/658186680.db2.gz ISPZBUPNFQQSQM-KBXCAEBGSA-N 0 0 312.413 3.318 20 10 DGCDRN CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC)cc1O ZINC000000099469 658239628 /nfs/dbraw/zinc/23/96/28/658239628.db2.gz OPECAIAUVAIHJJ-QGZVFWFLSA-N 0 0 312.369 3.377 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cc1cncs1 ZINC000275918792 658599297 /nfs/dbraw/zinc/59/92/97/658599297.db2.gz HDFIIACFKFUFCW-UHFFFAOYSA-N 0 0 317.458 3.189 20 10 DGCDRN Cc1nc(C[NH2+]Cc2cccc(Br)c2[O-])cs1 ZINC000042412610 658774176 /nfs/dbraw/zinc/77/41/76/658774176.db2.gz JFIXIJVKNMMFDF-UHFFFAOYSA-N 0 0 313.220 3.209 20 10 DGCDRN Cc1[nH]c2ccc(C(=O)NCCc3ccc(O)c(O)c3)cc2c1C ZINC000156725074 658940556 /nfs/dbraw/zinc/94/05/56/658940556.db2.gz ZGXCYSFUGIYYDH-UHFFFAOYSA-N 0 0 324.380 3.168 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CC[C@@H]3CCCC[C@@H]32)cc1F ZINC000156921006 658956126 /nfs/dbraw/zinc/95/61/26/658956126.db2.gz CLGDDHSDFKVEND-HOCLYGCPSA-N 0 0 319.424 3.366 20 10 DGCDRN CCOC(=O)C1CCC([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000165029601 658962283 /nfs/dbraw/zinc/96/22/83/658962283.db2.gz MJVJRRUHQPPHCP-UHFFFAOYSA-N 0 0 311.809 3.257 20 10 DGCDRN COc1c(F)cc(NC(=O)N(C)Cc2ccccc2O)cc1F ZINC000056715843 658981177 /nfs/dbraw/zinc/98/11/77/658981177.db2.gz BEBHZPPUFIBJCP-UHFFFAOYSA-N 0 0 322.311 3.343 20 10 DGCDRN CC(C)CN(C(=O)NCc1ccc2c(c1)CCCN2C)C1CC1 ZINC000057660802 659022484 /nfs/dbraw/zinc/02/24/84/659022484.db2.gz ZCMMOHUUNLTTKZ-UHFFFAOYSA-N 0 0 315.461 3.399 20 10 DGCDRN CC(C)(C)C[C@H](O)C[NH2+]Cc1cccc(Br)c1[O-] ZINC000227372434 659154064 /nfs/dbraw/zinc/15/40/64/659154064.db2.gz BYJXEYRZLRAUBP-NSHDSACASA-N 0 0 316.239 3.041 20 10 DGCDRN O=C(NCc1ccccc1O)c1cccc(F)c1Br ZINC000228424320 659191069 /nfs/dbraw/zinc/19/10/69/659191069.db2.gz NJSOWRGUNNXIHR-UHFFFAOYSA-N 0 0 324.149 3.224 20 10 DGCDRN COc1ccc(CCCC(=O)N(C)Cc2ccccc2O)cc1 ZINC000061621654 659281694 /nfs/dbraw/zinc/28/16/94/659281694.db2.gz VVRWUECRPGDWSR-UHFFFAOYSA-N 0 0 313.397 3.382 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2cc(C)nc3ccccc32)c1 ZINC000172042257 659311841 /nfs/dbraw/zinc/31/18/41/659311841.db2.gz LLQLYZATVAPYFA-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2ccc(C)cc2OC)c1 ZINC000172059597 659313648 /nfs/dbraw/zinc/31/36/48/659313648.db2.gz RRPFLZFMYLQHHX-UHFFFAOYSA-N 0 0 316.357 3.040 20 10 DGCDRN CO[C@@]1(C)CCC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000230299903 659324323 /nfs/dbraw/zinc/32/43/23/659324323.db2.gz LKRCQHGLFUZLHH-AWEZNQCLSA-N 0 0 314.223 3.156 20 10 DGCDRN CO[C@]1(C)CCC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000230299906 659324548 /nfs/dbraw/zinc/32/45/48/659324548.db2.gz LKRCQHGLFUZLHH-CQSZACIVSA-N 0 0 314.223 3.156 20 10 DGCDRN Cc1cc(CCNC(=O)c2cccnc2)c(C)n1-c1ccccc1 ZINC000062576718 659334976 /nfs/dbraw/zinc/33/49/76/659334976.db2.gz IIPGWVCTTDBTQX-UHFFFAOYSA-N 0 0 319.408 3.462 20 10 DGCDRN CC(C)[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CCS1 ZINC000173307421 659379188 /nfs/dbraw/zinc/37/91/88/659379188.db2.gz GNHRFBVXVGRRCB-INIZCTEOSA-N 0 0 321.490 3.036 20 10 DGCDRN CC(C)[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CCS1 ZINC000173307438 659379937 /nfs/dbraw/zinc/37/99/37/659379937.db2.gz GNHRFBVXVGRRCB-MRXNPFEDSA-N 0 0 321.490 3.036 20 10 DGCDRN C[C@@H]1CC[C@H](CCC(=O)NCCCSc2nccs2)O1 ZINC000173561493 659392547 /nfs/dbraw/zinc/39/25/47/659392547.db2.gz JGCKMVVMSXJLHM-VXGBXAGGSA-N 0 0 314.476 3.089 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CCC2CCOCC2)cc1 ZINC000173611698 659393927 /nfs/dbraw/zinc/39/39/27/659393927.db2.gz SVDQJXNTWXJDLI-UHFFFAOYSA-N 0 0 318.461 3.356 20 10 DGCDRN C[C@@H](CC(=O)NCc1ccc(N2CCSCC2)cc1)C1CC1 ZINC000063693842 659405844 /nfs/dbraw/zinc/40/58/44/659405844.db2.gz KMJMCVFYOUSPAJ-AWEZNQCLSA-N 0 0 318.486 3.292 20 10 DGCDRN CC(C)c1nn(C)c(Cl)c1C(=O)N(C)Cc1ccccc1O ZINC000175506534 659922997 /nfs/dbraw/zinc/92/29/97/659922997.db2.gz VLZKYWUUVDTOIK-UHFFFAOYSA-N 0 0 321.808 3.175 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccc(N(C)C)c(C)c2)c(O)c1O ZINC000179423876 659928072 /nfs/dbraw/zinc/92/80/72/659928072.db2.gz PMCIYTNPOSVFRI-UHFFFAOYSA-N 0 0 300.358 3.033 20 10 DGCDRN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Cc1ccc(N)cc1 ZINC000237598045 659931220 /nfs/dbraw/zinc/93/12/20/659931220.db2.gz FEJGVXFSWADLGA-NSHDSACASA-N 0 0 304.340 3.309 20 10 DGCDRN COc1ccc(N(C)C[C@@H](O)c2ccc(F)cc2F)cc1OC ZINC000067984666 659933761 /nfs/dbraw/zinc/93/37/61/659933761.db2.gz QKEOTHZJTBDLNA-OAHLLOKOSA-N 0 0 323.339 3.152 20 10 DGCDRN Cc1cc(C)n(-c2cccc(NC(=O)Cc3ccc(N)cc3)c2)n1 ZINC000237705334 659937192 /nfs/dbraw/zinc/93/71/92/659937192.db2.gz RWCUPISVMYRSQL-UHFFFAOYSA-N 0 0 320.396 3.253 20 10 DGCDRN Nc1ccc(CC(=O)N(C2CC2)[C@H]2CCc3ccccc32)cc1 ZINC000238068040 659956198 /nfs/dbraw/zinc/95/61/98/659956198.db2.gz GXYQOGOGEMTRCZ-IBGZPJMESA-N 0 0 306.409 3.490 20 10 DGCDRN CCc1nc2cc(NC(=O)/C=C/c3ccc(O)c(O)c3)ccc2o1 ZINC000180677967 659967242 /nfs/dbraw/zinc/96/72/42/659967242.db2.gz CZTZUEKVLGRTKU-XBXARRHUSA-N 0 0 324.336 3.453 20 10 DGCDRN C[C@H](c1ccccc1)[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180839898 659972685 /nfs/dbraw/zinc/97/26/85/659972685.db2.gz NTXSPAHZFBFRGY-VTKSRCSTSA-N 0 0 311.381 3.419 20 10 DGCDRN CN(Cc1ccc(F)c(F)c1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180906044 659973393 /nfs/dbraw/zinc/97/33/93/659973393.db2.gz QYZOMOBRSYAFQP-QPJJXVBHSA-N 0 0 319.307 3.048 20 10 DGCDRN Cn1ccc2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3)cc21 ZINC000180969737 659976493 /nfs/dbraw/zinc/97/64/93/659976493.db2.gz QAPOZHZLRRFXEH-XVNBXDOJSA-N 0 0 308.337 3.241 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC2(CC2)c2ccccc21 ZINC000181112156 659981269 /nfs/dbraw/zinc/98/12/69/659981269.db2.gz GLAPYCNIFYJHOZ-SOFGYWHQSA-N 0 0 307.349 3.189 20 10 DGCDRN C[C@@H]1Cc2ccccc2CN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181123624 659982720 /nfs/dbraw/zinc/98/27/20/659982720.db2.gz JSXWVHGZDIMWFP-BUUCAEBMSA-N 0 0 309.365 3.084 20 10 DGCDRN Cc1csc([C@H](C)NC(=O)N(C)Cc2ccccc2O)n1 ZINC000069829097 660024717 /nfs/dbraw/zinc/02/47/17/660024717.db2.gz GYMLDAQUHBYFPF-NSHDSACASA-N 0 0 305.403 3.060 20 10 DGCDRN CSc1cccc(N(C)C(=O)/C=C/c2cncc(O)c2)c1 ZINC000181958333 660027477 /nfs/dbraw/zinc/02/74/77/660027477.db2.gz LEXKRURGKYDODX-VOTSOKGWSA-N 0 0 300.383 3.185 20 10 DGCDRN Cc1cccc(/C=C2/SC(=S)N(C)C2=O)c1OC(F)F ZINC000182076665 660032720 /nfs/dbraw/zinc/03/27/20/660032720.db2.gz DEJUUPACHQRWOW-RMKNXTFCSA-N 0 0 315.366 3.427 20 10 DGCDRN C[C@H](CC(=O)NCc1ccc(O)c(O)c1)c1ccc(F)cc1F ZINC000182544112 660061550 /nfs/dbraw/zinc/06/15/50/660061550.db2.gz NGMZYYCRNHDMHB-SNVBAGLBSA-N 0 0 321.323 3.186 20 10 DGCDRN COc1ccc(N(C)C[C@H](O)CCc2ccccc2)c(OC)c1 ZINC000182560670 660062239 /nfs/dbraw/zinc/06/22/39/660062239.db2.gz NZGIHVABMNZXLE-MRXNPFEDSA-N 0 0 315.413 3.134 20 10 DGCDRN CC[C@@H]1CCCC[C@H]1OCC(=O)NCc1cc(OC)ccc1O ZINC000184718114 660182903 /nfs/dbraw/zinc/18/29/03/660182903.db2.gz IZHVLBNIWYPWQV-CXAGYDPISA-N 0 0 321.417 3.002 20 10 DGCDRN FC(F)(F)Oc1ccc2c(c1)CCCN2Cc1csnn1 ZINC000184736811 660183313 /nfs/dbraw/zinc/18/33/13/660183313.db2.gz KUDDMBDUMRCCPN-UHFFFAOYSA-N 0 0 315.320 3.390 20 10 DGCDRN CC(C)[C@@H]1C[C@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000929531658 661315486 /nfs/dbraw/zinc/31/54/86/661315486.db2.gz HTDWHYWEGMFINF-AEFFLSMTSA-N 0 0 318.461 3.162 20 10 DGCDRN CCOc1ccc(N(C)Cc2nc(COC(C)C)no2)cc1 ZINC000929694876 661329086 /nfs/dbraw/zinc/32/90/86/661329086.db2.gz CZSRZNOUIHKFFK-UHFFFAOYSA-N 0 0 305.378 3.030 20 10 DGCDRN C[C@H]1CCN(C(=O)/C=C/c2cn(C)cn2)c2ccccc2S1 ZINC000929691122 661329402 /nfs/dbraw/zinc/32/94/02/661329402.db2.gz YMVJLKSZPDFQMM-GWJCSSMESA-N 0 0 313.426 3.351 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)Nc1cnc(C2CC2)nc1 ZINC000930201452 661377226 /nfs/dbraw/zinc/37/72/26/661377226.db2.gz DVHNKBXVGIOFGO-UHFFFAOYSA-N 0 0 318.764 3.035 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cc2c[nH]ccc-2n1 ZINC000930205983 661377937 /nfs/dbraw/zinc/37/79/37/661377937.db2.gz QWKWFPLEXQJIKM-UHFFFAOYSA-N 0 0 320.396 3.093 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)C3(C)CC=CC3)CC2)cc1 ZINC000930308889 661387485 /nfs/dbraw/zinc/38/74/85/661387485.db2.gz BCCSYPPLBQPYSR-UHFFFAOYSA-N 0 0 314.429 3.090 20 10 DGCDRN O=C(Nc1cc2c(cn1)CCCC2)N1Cc2cccc(O)c2C1 ZINC000931509758 661483671 /nfs/dbraw/zinc/48/36/71/661483671.db2.gz ADJLUCJJFDVLST-UHFFFAOYSA-N 0 0 309.369 3.214 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@]12CCO[C@@H]1CCCC2 ZINC000932943637 661611325 /nfs/dbraw/zinc/61/13/25/661611325.db2.gz ODHCDZKFNDOISY-IEBWSBKVSA-N 0 0 316.445 3.027 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)CCc1cc(C)on1 ZINC000934706339 661728045 /nfs/dbraw/zinc/72/80/45/661728045.db2.gz JAMLGHNGDMJXDV-UHFFFAOYSA-N 0 0 302.374 3.060 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)Nc1ccnn1C1CCC1 ZINC000934730419 661731050 /nfs/dbraw/zinc/73/10/50/661731050.db2.gz RFOPWLBYLLTDGE-UHFFFAOYSA-N 0 0 320.780 3.289 20 10 DGCDRN C[C@H](NC(=O)C[C@@H]1CC[C@@H](C2CC2)O1)c1ccc(N(C)C)cc1 ZINC000935462069 661787907 /nfs/dbraw/zinc/78/79/07/661787907.db2.gz CZXVDQNADCKHBT-KKXDTOCCSA-N 0 0 316.445 3.278 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCCc1cccc(Cl)c1 ZINC000043478858 661845018 /nfs/dbraw/zinc/84/50/18/661845018.db2.gz CQNCNDYIEJIUCY-UHFFFAOYSA-N 0 0 318.804 3.430 20 10 DGCDRN C[C@@H]1C[C@H](C)CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000155673106 661850646 /nfs/dbraw/zinc/85/06/46/661850646.db2.gz UJZGQICQQIJPII-IYBDPMFKSA-N 0 0 313.445 3.250 20 10 DGCDRN O=C1/C(=C\c2csnn2)SC(=S)N1c1ccc(F)cc1 ZINC000044024105 661852979 /nfs/dbraw/zinc/85/29/79/661852979.db2.gz DRJOICUGDUIUDL-BJMVGYQFSA-N 0 0 323.399 3.083 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCCCOc1ccccc1 ZINC000045210612 661865040 /nfs/dbraw/zinc/86/50/40/661865040.db2.gz JROSYXBXRFNNRY-UHFFFAOYSA-N 0 0 314.385 3.003 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Nc1nc(C2CC2)cs1 ZINC000047387894 661876306 /nfs/dbraw/zinc/87/63/06/661876306.db2.gz CIRCOZCMYDGTHX-UHFFFAOYSA-N 0 0 303.387 3.390 20 10 DGCDRN CSc1ccc(C)c(C(=O)NCc2ccc(O)c(O)c2)c1 ZINC000158939592 661880295 /nfs/dbraw/zinc/88/02/95/661880295.db2.gz FGDAFLDECQGCTH-UHFFFAOYSA-N 0 0 303.383 3.058 20 10 DGCDRN Cc1cccc(C)c1-n1nnnc1CSc1nccs1 ZINC000048876613 661896810 /nfs/dbraw/zinc/89/68/10/661896810.db2.gz XNGURVIVWZUFRV-UHFFFAOYSA-N 0 0 303.416 3.028 20 10 DGCDRN CCc1cc(O)ccc1NS(=O)(=O)c1cc(F)ccc1C ZINC000189424477 661978113 /nfs/dbraw/zinc/97/81/13/661978113.db2.gz XJYXHQXYHNTNGG-UHFFFAOYSA-N 0 0 309.362 3.203 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H](C)C[C@@H](C)O)cc1 ZINC000077118201 662015813 /nfs/dbraw/zinc/01/58/13/662015813.db2.gz LYFPPNSYINJGGI-XJKSGUPXSA-N 0 0 314.429 3.231 20 10 DGCDRN Cc1cc(F)ccc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000190922640 662049181 /nfs/dbraw/zinc/04/91/81/662049181.db2.gz HFXREGQFFJWNGE-LLVKDONJSA-N 0 0 318.348 3.298 20 10 DGCDRN CC(C)Oc1ccc(N(C)C[C@H](O)COCc2ccco2)cc1 ZINC000191591795 662073390 /nfs/dbraw/zinc/07/33/90/662073390.db2.gz BQIIFQQIWWBRQE-INIZCTEOSA-N 0 0 319.401 3.081 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)c1ncnc2onc(C)c21 ZINC000192498991 662100897 /nfs/dbraw/zinc/10/08/97/662100897.db2.gz GIMJIZSSHXXMJV-UHFFFAOYSA-N 0 0 311.389 3.019 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CSC(F)(F)F)cc1 ZINC000079390622 662109421 /nfs/dbraw/zinc/10/94/21/662109421.db2.gz HZBSUFWJXJMROF-UHFFFAOYSA-N 0 0 320.380 3.402 20 10 DGCDRN C[C@@H](Cc1cccs1)NC(=O)N(C)Cc1ccccc1O ZINC000079414088 662109999 /nfs/dbraw/zinc/10/99/99/662109999.db2.gz DCJOVBRRNXEYDD-LBPRGKRZSA-N 0 0 304.415 3.226 20 10 DGCDRN Cc1cc(C(=O)Oc2c(C)nn(C)c2C)c(C)n1-c1ccccn1 ZINC000192908162 662115521 /nfs/dbraw/zinc/11/55/21/662115521.db2.gz WXBJGRKXKIZMAL-UHFFFAOYSA-N 0 0 324.384 3.059 20 10 DGCDRN Cc1c(Br)cccc1NC(=O)c1cccc(O)c1O ZINC000193008297 662120563 /nfs/dbraw/zinc/12/05/63/662120563.db2.gz YESIGFKFXXNSKG-UHFFFAOYSA-N 0 0 322.158 3.421 20 10 DGCDRN C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2cccc(O)c2O)C1 ZINC000193100914 662122893 /nfs/dbraw/zinc/12/28/93/662122893.db2.gz QRRKOBZETMEZLI-NHYWBVRUSA-N 0 0 315.344 3.460 20 10 DGCDRN O=S(=O)([N-]c1nc(-c2ccccc2)cs1)c1cccnc1 ZINC000079895985 662124186 /nfs/dbraw/zinc/12/41/86/662124186.db2.gz YQSUBKQDSQSMJD-UHFFFAOYSA-N 0 0 317.395 3.006 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)CSc1ccc(F)cc1 ZINC000080130071 662131129 /nfs/dbraw/zinc/13/11/29/662131129.db2.gz OUICIEQVTGCWIX-UHFFFAOYSA-N 0 0 305.374 3.282 20 10 DGCDRN CCOCc1cc(CN[C@H](COC)c2ccco2)ccc1OC ZINC000080239333 662133940 /nfs/dbraw/zinc/13/39/40/662133940.db2.gz XFSXHEVUELIXKX-MRXNPFEDSA-N 0 0 319.401 3.302 20 10 DGCDRN CN(C)c1ccc(CN2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000194158352 662158803 /nfs/dbraw/zinc/15/88/03/662158803.db2.gz SQUCAZKLTAWNBG-IBGZPJMESA-N 0 0 314.404 3.465 20 10 DGCDRN O=c1[nH]c(NCc2ccc(N3CCCC3)cc2)nc2ccccc21 ZINC000195519517 662191066 /nfs/dbraw/zinc/19/10/66/662191066.db2.gz KWSHJLLZNBYUNT-UHFFFAOYSA-N 0 0 320.396 3.135 20 10 DGCDRN COc1ccc(N2CCN(C(=O)C(C)(C)CC(C)C)CC2)cc1 ZINC000084515710 662201156 /nfs/dbraw/zinc/20/11/56/662201156.db2.gz KBWULONJMBCEEF-UHFFFAOYSA-N 0 0 318.461 3.416 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Cc2ccc(F)cc2F)cc1F ZINC000087209970 662224370 /nfs/dbraw/zinc/22/43/70/662224370.db2.gz LAGQJVUMZCVXBX-UHFFFAOYSA-N 0 0 322.330 3.029 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Cc2c(F)cccc2F)c1 ZINC000088360162 662230849 /nfs/dbraw/zinc/23/08/49/662230849.db2.gz GXTPOXIBNXVGOC-SNVBAGLBSA-N 0 0 321.323 3.099 20 10 DGCDRN CN(Cc1c(Cl)nc2ccccn21)Cc1ccccc1O ZINC000091956532 662325097 /nfs/dbraw/zinc/32/50/97/662325097.db2.gz GBZKETZCBJHIFA-UHFFFAOYSA-N 0 0 301.777 3.325 20 10 DGCDRN COCCCN(C)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000247821347 662328632 /nfs/dbraw/zinc/32/86/32/662328632.db2.gz DEASEJVVPPGTLG-UHFFFAOYSA-N 0 0 318.392 3.342 20 10 DGCDRN CC(C)(C)CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000248241343 662337452 /nfs/dbraw/zinc/33/74/52/662337452.db2.gz FCNJFFMVVURZKV-OAHLLOKOSA-N 0 0 305.418 3.336 20 10 DGCDRN OC[C@@H](NCc1ccc2c(c1)CCCO2)c1c(F)cccc1F ZINC000921749921 685316313 /nfs/dbraw/zinc/31/63/13/685316313.db2.gz SCFURSJMMIMVBO-MRXNPFEDSA-N 0 0 319.351 3.113 20 10 DGCDRN COc1ccc(N(C)C[C@@H](O)c2cccc(F)c2)cc1OC ZINC000140338252 685077739 /nfs/dbraw/zinc/07/77/39/685077739.db2.gz GPTGYMKKWUYAOS-OAHLLOKOSA-N 0 0 305.349 3.013 20 10 DGCDRN CCC[C@@H](C[NH2+]Cc1cccc(Br)c1[O-])OC ZINC000378689563 685144675 /nfs/dbraw/zinc/14/46/75/685144675.db2.gz HLNVKGUGQQOCHB-NSHDSACASA-N 0 0 302.212 3.059 20 10 DGCDRN [O-]c1c(Br)cccc1C[NH2+]CCC1CCOCC1 ZINC000380780045 685153727 /nfs/dbraw/zinc/15/37/27/685153727.db2.gz WNCCUFUSGCXJAC-UHFFFAOYSA-N 0 0 314.223 3.061 20 10 DGCDRN CC(C)OCCC[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000382794538 685164550 /nfs/dbraw/zinc/16/45/50/685164550.db2.gz IHIUAHXXRRBFJX-UHFFFAOYSA-N 0 0 316.239 3.402 20 10 DGCDRN [O-]c1c(Br)cccc1C[NH2+]C[C@H]1CCCSC1 ZINC000384174722 685170968 /nfs/dbraw/zinc/17/09/68/685170968.db2.gz VDXOJAOEMFUHRK-SNVBAGLBSA-N 0 0 316.264 3.388 20 10 DGCDRN Cc1cc(C)c(C[NH2+]Cc2cccc(Br)c2[O-])cn1 ZINC000396963469 685228907 /nfs/dbraw/zinc/22/89/07/685228907.db2.gz DPVSBQPBYSBMNE-UHFFFAOYSA-N 0 0 321.218 3.456 20 10 DGCDRN [O-]c1c(Cl)cccc1C[N@H+](Cc1cnn[nH]1)C1CCCCC1 ZINC001578051982 1191921120 /nfs/dbraw/zinc/92/11/20/1191921120.db2.gz YLGKTILITFXRMR-UHFFFAOYSA-N 0 0 320.824 3.499 20 10 DGCDRN CN(C(=O)Cc1ccc(OC(F)F)cc1)c1ccc(N)cc1 ZINC001578378388 1191940642 /nfs/dbraw/zinc/94/06/42/1191940642.db2.gz WBGKZNJROASPCJ-UHFFFAOYSA-N 0 0 306.312 3.076 20 10 DGCDRN CN(C)c1cc(NC(=O)Cc2ccc(N)cc2)ccc1Cl ZINC001578422838 1191942319 /nfs/dbraw/zinc/94/23/19/1191942319.db2.gz IKLAZARSSXGNJG-UHFFFAOYSA-N 0 0 303.793 3.169 20 10 DGCDRN Cc1c[nH]c(-c2ccc(NC(=O)Cc3ccc(N)cc3)cc2)n1 ZINC001579819179 1191995135 /nfs/dbraw/zinc/99/51/35/1191995135.db2.gz JUWMMUPACIYMOV-UHFFFAOYSA-N 0 0 306.369 3.149 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CCCN(c2ccccc2)C1 ZINC001620801408 1192083012 /nfs/dbraw/zinc/08/30/12/1192083012.db2.gz BMYJACVJAIACOZ-HNNXBMFYSA-N 0 0 318.367 3.429 20 10 DGCDRN Cc1cc(Cl)c2c(c1)CCCN2C(=O)/C=C/c1cnn(C)c1 ZINC001583474953 1192147938 /nfs/dbraw/zinc/14/79/38/1192147938.db2.gz XQYZUJQCQBVXKJ-AATRIKPKSA-N 0 0 315.804 3.375 20 10 DGCDRN CCc1cccc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1O ZINC001583752684 1192159282 /nfs/dbraw/zinc/15/92/82/1192159282.db2.gz NSLUFSXASBVRAX-UHFFFAOYSA-N 0 0 316.376 3.090 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCC(C1CCC1)C1CCC1 ZINC001585553315 1192268708 /nfs/dbraw/zinc/26/87/08/1192268708.db2.gz FXFJXLKMGOHXOO-NTMALXAHSA-N 0 0 315.413 3.444 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCC(C1CCC1)C1CCC1 ZINC001585553314 1192269002 /nfs/dbraw/zinc/26/90/02/1192269002.db2.gz FXFJXLKMGOHXOO-CSKARUKUSA-N 0 0 315.413 3.444 20 10 DGCDRN Cc1ncsc1/C=C/C(=O)N1CCOc2cc(F)c(F)cc21 ZINC001586429754 1192330344 /nfs/dbraw/zinc/33/03/44/1192330344.db2.gz PDAHWXDSOYTXPN-NSCUHMNNSA-N 0 0 322.336 3.169 20 10 DGCDRN Cc1ccc(C(=O)Nc2c3nonc3ccc2Cl)nc1C ZINC001586677159 1192343290 /nfs/dbraw/zinc/34/32/90/1192343290.db2.gz MRMIWFITXKPOAM-UHFFFAOYSA-N 0 0 302.721 3.140 20 10 DGCDRN C[C@@H](NC(=O)c1ccn(-c2ccccc2)n1)c1ccccc1O ZINC001587445036 1192400096 /nfs/dbraw/zinc/40/00/96/1192400096.db2.gz SDKPYLNMDGHUBG-CYBMUJFWSA-N 0 0 307.353 3.069 20 10 DGCDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)c1ccccc1O ZINC001587450963 1192400557 /nfs/dbraw/zinc/40/05/57/1192400557.db2.gz BZDWAASOYMJOSU-NSHDSACASA-N 0 0 300.314 3.100 20 10 DGCDRN C[C@H](NC(=O)c1ccc(N(C)C)c(F)c1)c1ccccc1O ZINC001587451247 1192401010 /nfs/dbraw/zinc/40/10/10/1192401010.db2.gz NEAOYGBDHRUAFH-NSHDSACASA-N 0 0 302.349 3.088 20 10 DGCDRN CN(Cc1ccsc1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001588171899 1192436852 /nfs/dbraw/zinc/43/68/52/1192436852.db2.gz AZDZKEMLELPZHA-UHFFFAOYSA-N 0 0 302.359 3.183 20 10 DGCDRN COc1ccc(NCc2cc(Cl)cc(F)c2O)cc1CO ZINC001620850810 1192454662 /nfs/dbraw/zinc/45/46/62/1192454662.db2.gz NUPJRGJGNWWFQD-UHFFFAOYSA-N 0 0 311.740 3.298 20 10 DGCDRN c1ccc(-c2nn[nH]n2)c(NCc2ccc(N3CCCC3)cc2)c1 ZINC001593568810 1192636180 /nfs/dbraw/zinc/63/61/80/1192636180.db2.gz DJMSTKSHLFRWMT-UHFFFAOYSA-N 0 0 320.400 3.079 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001593872740 1192640847 /nfs/dbraw/zinc/64/08/47/1192640847.db2.gz BYNBDNWRJGNVFW-GHMZBOCLSA-N 0 0 323.801 3.233 20 10 DGCDRN CC(C)[C@@H](Cc1ccccc1)C(=O)NCc1cc(O)ccc1O ZINC001593873713 1192641000 /nfs/dbraw/zinc/64/10/00/1192641000.db2.gz XLRULEMFTXPSEE-QGZVFWFLSA-N 0 0 313.397 3.229 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1onc2ccccc21 ZINC001595435559 1192659147 /nfs/dbraw/zinc/65/91/47/1192659147.db2.gz GFALYCAQPUEUNV-UHFFFAOYSA-N 0 0 321.380 3.358 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc3ccn(C)c3c2)c1 ZINC001595806243 1192671616 /nfs/dbraw/zinc/67/16/16/1192671616.db2.gz DPDWJQRQBJXQCY-LBPRGKRZSA-N 0 0 324.380 3.384 20 10 DGCDRN COc1ccc(Cl)cc1CC(=O)NCc1c(O)cccc1F ZINC001596912163 1192710161 /nfs/dbraw/zinc/71/01/61/1192710161.db2.gz MERHINRWCRFUAM-UHFFFAOYSA-N 0 0 323.751 3.052 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1ccc(-c2cnco2)cc1 ZINC001596911955 1192710236 /nfs/dbraw/zinc/71/02/36/1192710236.db2.gz JMPYDPJQBCXOLV-UHFFFAOYSA-N 0 0 312.300 3.116 20 10 DGCDRN CC(C)Oc1cc(NC(=O)N[C@@H](C)c2ccccc2O)ccn1 ZINC001670536781 1176163766 /nfs/dbraw/zinc/16/37/66/1176163766.db2.gz QFBPHPYWXOTBAI-LBPRGKRZSA-N 0 0 315.373 3.457 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H](C)C[C@H](C)O ZINC001597435508 1192732985 /nfs/dbraw/zinc/73/29/85/1192732985.db2.gz LPTNDPUNQMSGSA-CJNGLKHVSA-N 0 0 314.429 3.292 20 10 DGCDRN O=C(CCc1ccc(Cl)cc1)NCc1c(O)cccc1O ZINC001597569519 1192737862 /nfs/dbraw/zinc/73/78/62/1192737862.db2.gz PPDRYLMNENYEFR-UHFFFAOYSA-N 0 0 305.761 3.000 20 10 DGCDRN CC(C)Cc1ccc(CC(=O)NCc2c(O)cccc2O)cc1 ZINC001597568545 1192737871 /nfs/dbraw/zinc/73/78/71/1192737871.db2.gz GLNKJIBTUXLGHR-UHFFFAOYSA-N 0 0 313.397 3.155 20 10 DGCDRN O=C(NCc1c(O)cccc1O)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC001597574509 1192739061 /nfs/dbraw/zinc/73/90/61/1192739061.db2.gz OEHLKPHDBRVHTR-MELADBBJSA-N 0 0 303.402 3.321 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cccc(Cl)c2N)cc1F ZINC001598028700 1192759729 /nfs/dbraw/zinc/75/97/29/1192759729.db2.gz NPGFVDGATMHCCT-UHFFFAOYSA-N 0 0 321.783 3.057 20 10 DGCDRN Cc1nc2ccc(NCc3c(O)cc(C)cc3Cl)cn2n1 ZINC001620982934 1192769585 /nfs/dbraw/zinc/76/95/85/1192769585.db2.gz LPUPNKSGRVIFJF-UHFFFAOYSA-N 0 0 302.765 3.317 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1ccoc1C(=O)[O-] ZINC001600237026 1192816261 /nfs/dbraw/zinc/81/62/61/1192816261.db2.gz QTBXXTUNUDCYBB-CYBMUJFWSA-N 0 0 316.401 3.073 20 10 DGCDRN Cc1cc(O)c(C[NH2+]CC2(C(=O)[O-])CCCCC2)c(Cl)c1 ZINC001600286844 1192827503 /nfs/dbraw/zinc/82/75/03/1192827503.db2.gz XJHFUKFSAYLRKR-UHFFFAOYSA-N 0 0 311.809 3.479 20 10 DGCDRN C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CC(C)(C)C1 ZINC001179689588 1177804518 /nfs/dbraw/zinc/80/45/18/1177804518.db2.gz SYHHRFVQDFCOJU-RCOIXESOSA-N 0 0 303.402 3.442 20 10 DGCDRN CO[C@@H](C)CC(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001181607940 1177813874 /nfs/dbraw/zinc/81/38/74/1177813874.db2.gz OWILBAOUTDYHIC-YVEFUNNKSA-N 0 0 305.418 3.174 20 10 DGCDRN Cc1cc([C@H](C)NC(=O)NCc2cc(C)ccc2O)c(C)o1 ZINC001331297905 1178178089 /nfs/dbraw/zinc/17/80/89/1178178089.db2.gz QVCKNZBKNNHFRE-LBPRGKRZSA-N 0 0 302.374 3.471 20 10 DGCDRN C[C@@H](CC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccco1 ZINC001331554530 1178244663 /nfs/dbraw/zinc/24/46/63/1178244663.db2.gz RVCZAXRVXYAILE-LBPRGKRZSA-N 0 0 304.365 3.295 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1ccccc1O ZINC001331583393 1178253292 /nfs/dbraw/zinc/25/32/92/1178253292.db2.gz XAMFGBMYUUFLFY-JULQROHOSA-N 0 0 310.344 3.186 20 10 DGCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CC2(C1)CCCC2 ZINC001331648778 1178267569 /nfs/dbraw/zinc/26/75/69/1178267569.db2.gz KOTVPKRDKVNMEG-UHFFFAOYSA-N 0 0 303.383 3.329 20 10 DGCDRN CCOCCC1(CNC(=O)N[C@H](C)c2ccccc2O)CCC1 ZINC001332117741 1178363368 /nfs/dbraw/zinc/36/33/68/1178363368.db2.gz YPCBJSONOPOWMU-CQSZACIVSA-N 0 0 320.433 3.349 20 10 DGCDRN C[N@H+](CCCF)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC001332185689 1178384903 /nfs/dbraw/zinc/38/49/03/1178384903.db2.gz BZEFEKSINMLESY-UHFFFAOYSA-N 0 0 317.360 3.120 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1CCc2cc(N)ccc21)c1ccccc1O ZINC001332542100 1178462212 /nfs/dbraw/zinc/46/22/12/1178462212.db2.gz IMEOOQJMPBANML-BDJLRTHQSA-N 0 0 311.385 3.022 20 10 DGCDRN C[C@H](CO)[N@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1[O-] ZINC001332976856 1178532546 /nfs/dbraw/zinc/53/25/46/1178532546.db2.gz RPEFTYJVMZHPIL-GFCCVEGCSA-N 0 0 307.340 3.053 20 10 DGCDRN Cc1cc(NC(=O)N[C@H](C)c2ccccc2O)nn1C(C)C ZINC001333467452 1178609454 /nfs/dbraw/zinc/60/94/54/1178609454.db2.gz IDFXTWUDGRBHRH-GFCCVEGCSA-N 0 0 302.378 3.361 20 10 DGCDRN C[C@H](OC1CCCCC1)C(=O)NCc1cccc(Cl)c1O ZINC001333625852 1178640973 /nfs/dbraw/zinc/64/09/73/1178640973.db2.gz OHAUDKVKUNXJLE-NSHDSACASA-N 0 0 311.809 3.400 20 10 DGCDRN COc1cccc(F)c1CNCc1ccc2c(c1)CCCO2 ZINC001333874311 1178687733 /nfs/dbraw/zinc/68/77/33/1178687733.db2.gz AAHYIFVLEXROPM-UHFFFAOYSA-N 0 0 301.361 3.449 20 10 DGCDRN CC(C)(C)c1nsc(NC(=O)NCc2c(O)cccc2F)n1 ZINC001333893175 1178692018 /nfs/dbraw/zinc/69/20/18/1178692018.db2.gz IOWLMKLPDXBYGP-UHFFFAOYSA-N 0 0 324.381 3.002 20 10 DGCDRN O=C([O-])CC1CC([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC001334071954 1178715683 /nfs/dbraw/zinc/71/56/83/1178715683.db2.gz QDGDKAJGKNZSTG-UHFFFAOYSA-N 0 0 302.418 3.020 20 10 DGCDRN Cc1cc(C(=O)NCCCc2ccco2)c(C)n1-c1ccccn1 ZINC001334575198 1178775062 /nfs/dbraw/zinc/77/50/62/1178775062.db2.gz BFYPRIPSHGWYIA-UHFFFAOYSA-N 0 0 323.396 3.445 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cccc2c1COCC2 ZINC001334818558 1178806970 /nfs/dbraw/zinc/80/69/70/1178806970.db2.gz AIXZHXYWXXHORG-UHFFFAOYSA-N 0 0 324.424 3.064 20 10 DGCDRN Cn1c2ccc(F)cc2c(C[NH2+]CCC(F)(F)F)c1C(=O)[O-] ZINC001600901453 1192910059 /nfs/dbraw/zinc/91/00/59/1192910059.db2.gz IACXMPXINFUMMU-UHFFFAOYSA-N 0 0 318.270 3.058 20 10 DGCDRN Cc1nnc(CNCc2ccc(N3CCC(C)CC3)cc2)s1 ZINC001335442034 1178910931 /nfs/dbraw/zinc/91/09/31/1178910931.db2.gz VKFXWYYNNBDKME-UHFFFAOYSA-N 0 0 316.474 3.373 20 10 DGCDRN CCC(CC)(CNC(=O)NCc1ccc(N)cc1)C(F)(F)F ZINC001335587430 1178933650 /nfs/dbraw/zinc/93/36/50/1178933650.db2.gz FPFOKFACIBNAQZ-UHFFFAOYSA-N 0 0 317.355 3.437 20 10 DGCDRN CO[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001335890323 1178967598 /nfs/dbraw/zinc/96/75/98/1178967598.db2.gz XANLVTMOMXTNGZ-ZWKOTPCHSA-N 0 0 316.445 3.108 20 10 DGCDRN CC(C)(CNC(=O)NCc1ccc(N)cc1)c1ccccc1F ZINC001335987581 1178979149 /nfs/dbraw/zinc/97/91/49/1178979149.db2.gz YBNMEIFNVVLRLY-UHFFFAOYSA-N 0 0 315.392 3.185 20 10 DGCDRN Nc1ccc(CNC(=O)N[C@H]2CCCc3c(F)cccc32)cc1 ZINC001336100467 1178993546 /nfs/dbraw/zinc/99/35/46/1178993546.db2.gz OJLKERBBIZYOHJ-KRWDZBQOSA-N 0 0 313.376 3.285 20 10 DGCDRN COc1ccc([C@H](C)NC(=O)NCc2ccc(N)cc2)cc1C ZINC001336193679 1179002161 /nfs/dbraw/zinc/00/21/61/1179002161.db2.gz RWJBIZGMXXFGQT-ZDUSSCGKSA-N 0 0 313.401 3.146 20 10 DGCDRN Cc1cccc(F)c1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001343512860 1179288809 /nfs/dbraw/zinc/28/88/09/1179288809.db2.gz MZCNJUZVKWFWNW-UHFFFAOYSA-N 0 0 314.360 3.239 20 10 DGCDRN Cc1c(C(=O)NCc2ccc(N)cc2)cnn1C1CCCCC1 ZINC001346209750 1179670522 /nfs/dbraw/zinc/67/05/22/1179670522.db2.gz LDLOWIJVPWINNV-UHFFFAOYSA-N 0 0 312.417 3.209 20 10 DGCDRN Nc1ccc(CNC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC001346526821 1179715638 /nfs/dbraw/zinc/71/56/38/1179715638.db2.gz QJZDJWFPGMELTP-QZTJIDSGSA-N 0 0 309.413 3.404 20 10 DGCDRN CC[C@H](NC(=O)NCc1ccc(N)cc1)c1ccccc1OC ZINC001346634194 1179728781 /nfs/dbraw/zinc/72/87/81/1179728781.db2.gz SWXDESYAOBRTJP-INIZCTEOSA-N 0 0 313.401 3.228 20 10 DGCDRN CC[C@H](C)n1nccc1C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC001346695965 1179736211 /nfs/dbraw/zinc/73/62/11/1179736211.db2.gz OSZZJZJSKPYJQJ-NWDGAFQWSA-N 0 0 317.389 3.059 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NC[C@H]1C[C@@H]1Cc1ccccc1 ZINC001346955089 1179764535 /nfs/dbraw/zinc/76/45/35/1179764535.db2.gz WNKXMUSOPBQNDJ-ZWKOTPCHSA-N 0 0 324.424 3.412 20 10 DGCDRN CC(F)(F)C1(C(=O)NCCCSc2nccs2)CC1 ZINC001347471321 1179815048 /nfs/dbraw/zinc/81/50/48/1179815048.db2.gz CMYVVDQSMPLQNG-UHFFFAOYSA-N 0 0 306.403 3.177 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCC[C@@H](F)C1 ZINC001348976931 1179860699 /nfs/dbraw/zinc/86/06/99/1179860699.db2.gz CICAMTFGIITISI-ZIAGYGMSSA-N 0 0 305.393 3.416 20 10 DGCDRN C[C@@]1(C(=O)NCc2cccc(O)c2O)CCCc2ccccc21 ZINC001349077954 1179873642 /nfs/dbraw/zinc/87/36/42/1179873642.db2.gz FVWOBZLRBVNTCX-LJQANCHMSA-N 0 0 311.381 3.008 20 10 DGCDRN Cc1cnccc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001349120933 1179875157 /nfs/dbraw/zinc/87/51/57/1179875157.db2.gz ZZLLAHCGQJAQEO-UHFFFAOYSA-N 0 0 309.413 3.262 20 10 DGCDRN CCO[C@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)C(C)C ZINC001349120119 1179875445 /nfs/dbraw/zinc/87/54/45/1179875445.db2.gz XJZMMIJXCMHEBP-SFHVURJKSA-N 0 0 318.461 3.306 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(OC)c(C)c2)c1 ZINC001349331667 1179895925 /nfs/dbraw/zinc/89/59/25/1179895925.db2.gz UFVVLLRURKWULO-GFCCVEGCSA-N 0 0 315.369 3.209 20 10 DGCDRN Cc1oc(C[N@@H+](C)Cc2ccc(N(C)C)c(F)c2)cc1C(=O)[O-] ZINC001350598781 1180091399 /nfs/dbraw/zinc/09/13/99/1180091399.db2.gz CMNKDZSTPJEZCO-UHFFFAOYSA-N 0 0 320.364 3.123 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NCc2c(Cl)ccnc2F)c1 ZINC001621316338 1193008648 /nfs/dbraw/zinc/00/86/48/1193008648.db2.gz DTOFJRZWJJEPKU-SECBINFHSA-N 0 0 310.756 3.439 20 10 DGCDRN Cc1ccc(O)c(CNc2ncnc3c2cnn3C(C)(C)C)c1 ZINC001351354241 1180203407 /nfs/dbraw/zinc/20/34/07/1180203407.db2.gz WCHQTLJUMGZZKI-UHFFFAOYSA-N 0 0 311.389 3.207 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cccc3ccncc32)cc1F ZINC001351738596 1180243582 /nfs/dbraw/zinc/24/35/82/1180243582.db2.gz PJQYTYGGYNLORW-UHFFFAOYSA-N 0 0 323.371 3.370 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc3c(c2)CC(C)(C)O3)cc1 ZINC001353505455 1180573174 /nfs/dbraw/zinc/57/31/74/1180573174.db2.gz ZOJPALHHXKXBTO-UHFFFAOYSA-N 0 0 324.424 3.396 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC/C=C/Cl ZINC001472263627 1180729129 /nfs/dbraw/zinc/72/91/29/1180729129.db2.gz UJIOUYHZYDDIQX-VMPITWQZSA-N 0 0 316.788 3.389 20 10 DGCDRN Fc1ccnc(CNC(=S)Nc2ccc(F)c(Cl)c2)c1 ZINC001200591950 1180744270 /nfs/dbraw/zinc/74/42/70/1180744270.db2.gz AJNOZXBTTMWPMG-UHFFFAOYSA-N 0 0 313.760 3.500 20 10 DGCDRN CN(C(=O)c1oc(C2CC2)nc1C(F)F)c1ccc(N)cc1 ZINC001354437953 1180796716 /nfs/dbraw/zinc/79/67/16/1180796716.db2.gz VDGDIUVRUZMSDW-UHFFFAOYSA-N 0 0 307.300 3.348 20 10 DGCDRN Cc1cccc(CNC(=S)Nc2cc(F)cc(F)c2)c1O ZINC001200681736 1180814258 /nfs/dbraw/zinc/81/42/58/1180814258.db2.gz SXHHGMJXDBQZIK-UHFFFAOYSA-N 0 0 308.353 3.465 20 10 DGCDRN CCc1ccnc(C(=O)NCc2ccc(N(CC)CC)cc2)c1 ZINC001354540369 1180831776 /nfs/dbraw/zinc/83/17/76/1180831776.db2.gz DMOLJGPDSMDENF-UHFFFAOYSA-N 0 0 311.429 3.420 20 10 DGCDRN C[C@@H]([NH2+]CC1(N(C)C)CCCCC1)c1cc(C(=O)[O-])ccc1O ZINC001604336519 1193066079 /nfs/dbraw/zinc/06/60/79/1193066079.db2.gz GNODKSQWKWMIAO-CYBMUJFWSA-N 0 0 320.433 3.006 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)c1c(F)cncc1F)c1cc(C(=O)[O-])ccc1O ZINC001604322983 1193064300 /nfs/dbraw/zinc/06/43/00/1193064300.db2.gz STGCDZMNSBTXAE-IUCAKERBSA-N 0 0 322.311 3.175 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CCc2ccccc2C1)c1cc(C(=O)[O-])ccc1O ZINC001604326292 1193065571 /nfs/dbraw/zinc/06/55/71/1193065571.db2.gz GNKJTAZBQXQKSU-WBMJQRKESA-N 0 0 311.381 3.299 20 10 DGCDRN C[C@@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)N1CCCC[C@H]1C ZINC001604331810 1193065904 /nfs/dbraw/zinc/06/59/04/1193065904.db2.gz GSHIPBVKXDIYGF-RDBSUJKOSA-N 0 0 320.433 3.004 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc2ccccc2n1)c1cc(C(=O)[O-])ccc1O ZINC001604347015 1193067366 /nfs/dbraw/zinc/06/73/66/1193067366.db2.gz XGAPGWGTIDFSCD-LBPRGKRZSA-N 0 0 322.364 3.489 20 10 DGCDRN C/C=C\C[C@@H]1CCCN(c2nnc(C3SC=CC3=O)n2C)C1 ZINC001355345532 1181040089 /nfs/dbraw/zinc/04/00/89/1181040089.db2.gz XGTSZENADJHBJT-VSQXVHSFSA-N 0 0 318.446 3.432 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2coc(C(C)(C)C)n2)cc1F ZINC001356251935 1181164120 /nfs/dbraw/zinc/16/41/20/1181164120.db2.gz YONNDZRCPDXVFB-UHFFFAOYSA-N 0 0 319.380 3.107 20 10 DGCDRN C[C@@H](NC(=O)[C@@H]1CCOC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001358148546 1181460531 /nfs/dbraw/zinc/46/05/31/1181460531.db2.gz QNMMVVOPAUPCFD-UKRRQHHQSA-N 0 0 304.434 3.135 20 10 DGCDRN CC[C@H]1CC[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C1 ZINC001605171368 1193124573 /nfs/dbraw/zinc/12/45/73/1193124573.db2.gz KFIJCXHKWFRSMF-NSHDSACASA-N 0 0 304.365 3.248 20 10 DGCDRN Cn1cnc(/C=C/C(=O)N2CCCc3ccc(F)c(Cl)c32)c1 ZINC001437133343 1181923221 /nfs/dbraw/zinc/92/32/21/1181923221.db2.gz MJDWQMYRPKXXCN-FNORWQNLSA-N 0 0 319.767 3.205 20 10 DGCDRN Cc1ccc(C(=O)N(C)[C@H](C)Cc2cccs2)c(O)c1O ZINC001445372317 1182144574 /nfs/dbraw/zinc/14/45/74/1182144574.db2.gz UDTJROCTGCJUSD-LLVKDONJSA-N 0 0 305.399 3.171 20 10 DGCDRN CCCN(Cc1ccc(/C=C\C(=O)[O-])o1)c1ccc(C[NH3+])cc1 ZINC001605318594 1193143037 /nfs/dbraw/zinc/14/30/37/1193143037.db2.gz MYDGAOPUNLHSTG-KTKRTIGZSA-N 0 0 314.385 3.253 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCCCC12CCCC2 ZINC001450444591 1182249857 /nfs/dbraw/zinc/24/98/57/1182249857.db2.gz GLQOUSNGFRXRQU-INIZCTEOSA-N 0 0 303.402 3.260 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H]1C[C@@](C)(O)C1 ZINC001451728120 1182273693 /nfs/dbraw/zinc/27/36/93/1182273693.db2.gz SVLHUIXOBZISES-GLRZTSSQSA-N 0 0 312.413 3.046 20 10 DGCDRN C[C@@H](C(=O)NCc1ccc(O)cc1O)c1cccc(Cl)c1 ZINC001451768320 1182274484 /nfs/dbraw/zinc/27/44/84/1182274484.db2.gz NDIDVTNJXVTLGI-SNVBAGLBSA-N 0 0 305.761 3.171 20 10 DGCDRN Cc1c2cc(C)ccc2[nH]c1C(=O)NCc1ccc(O)cc1O ZINC001451765653 1182274674 /nfs/dbraw/zinc/27/46/74/1182274674.db2.gz GUNDMIZPIAGMSU-UHFFFAOYSA-N 0 0 310.353 3.126 20 10 DGCDRN O=C(Nc1n[nH]cc1C1CC1)c1cc2cc(O)c(O)cc2s1 ZINC001452221384 1182284817 /nfs/dbraw/zinc/28/48/17/1182284817.db2.gz MZSBMRANOAJZCO-UHFFFAOYSA-N 0 0 315.354 3.165 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1C[C@H]1c1ccccc1 ZINC001452935638 1182305552 /nfs/dbraw/zinc/30/55/52/1182305552.db2.gz JCAUJMLMXRUBMK-LSDHHAIUSA-N 0 0 301.773 3.466 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)C(=O)c1ccc(Cl)cc1 ZINC001452948433 1182305811 /nfs/dbraw/zinc/30/58/11/1182305811.db2.gz XOZORZIAEWNPJL-UHFFFAOYSA-N 0 0 324.163 3.198 20 10 DGCDRN COc1ccc2[nH]cc(CC(=O)NCc3cc(C)ccc3O)c2c1 ZINC001453650120 1182321868 /nfs/dbraw/zinc/32/18/68/1182321868.db2.gz OCVVOTLYRJQUHD-UHFFFAOYSA-N 0 0 324.380 3.049 20 10 DGCDRN CCc1nc[nH]c1C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001454624671 1182348645 /nfs/dbraw/zinc/34/86/45/1182348645.db2.gz LZWSDAPJUTYAJM-UHFFFAOYSA-N 0 0 322.412 3.310 20 10 DGCDRN C[C@@H](NC(=O)/C=C\c1ccnc(Cl)c1)c1ccccc1O ZINC001454806734 1182353351 /nfs/dbraw/zinc/35/33/51/1182353351.db2.gz MULGFPJSKBURCY-JMEBYUIHSA-N 0 0 302.761 3.331 20 10 DGCDRN C[C@H](NC(=O)c1c(Cl)nc2ccccn21)c1ccccc1O ZINC001454815473 1182353846 /nfs/dbraw/zinc/35/38/46/1182353846.db2.gz GCIVHDMZPVVPQP-JTQLQIEISA-N 0 0 315.760 3.184 20 10 DGCDRN C[C@@H](Oc1cccc(Cl)c1)C(=O)N1Cc2cccc(O)c2C1 ZINC001455036978 1182358983 /nfs/dbraw/zinc/35/89/83/1182358983.db2.gz NGVSNBHVBGUGCD-LLVKDONJSA-N 0 0 317.772 3.355 20 10 DGCDRN COc1ccc(/C(C)=C\C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC001455036694 1182359118 /nfs/dbraw/zinc/35/91/18/1182359118.db2.gz JCFUDFZIOHAZLI-RAXLEYEMSA-N 0 0 309.365 3.347 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1cccc2c1CCCCC2 ZINC001455317162 1182366697 /nfs/dbraw/zinc/36/66/97/1182366697.db2.gz SHDJXTDQNRIEOD-UHFFFAOYSA-N 0 0 311.381 3.297 20 10 DGCDRN CCn1cc(C(=O)NCc2cc(O)ccc2O)c2ccccc21 ZINC001455355547 1182367207 /nfs/dbraw/zinc/36/72/07/1182367207.db2.gz CLDFNZCTOLBBIM-UHFFFAOYSA-N 0 0 310.353 3.002 20 10 DGCDRN C[C@H](CCc1ccc(F)cc1)C(=O)NCc1cc(O)ccc1O ZINC001455356156 1182367284 /nfs/dbraw/zinc/36/72/84/1182367284.db2.gz XIUUTMIUGNWSDX-GFCCVEGCSA-N 0 0 317.360 3.122 20 10 DGCDRN CCSCc1ccccc1C(=O)NCc1cc(O)ccc1O ZINC001455355136 1182367447 /nfs/dbraw/zinc/36/74/47/1182367447.db2.gz QCTNFBNYPDPZPS-UHFFFAOYSA-N 0 0 317.410 3.281 20 10 DGCDRN C[C@H](Oc1ccccc1Cl)C(=O)NCc1c(O)cccc1F ZINC001456101582 1182397574 /nfs/dbraw/zinc/39/75/74/1182397574.db2.gz SRNLGILEDVZMLP-JTQLQIEISA-N 0 0 323.751 3.268 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)[C@@H]1Cc2ccccc2O1 ZINC001456309464 1182410078 /nfs/dbraw/zinc/41/00/78/1182410078.db2.gz IUBFEQOFBDDVJS-IBGZPJMESA-N 0 0 319.360 3.165 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001456874399 1182433480 /nfs/dbraw/zinc/43/34/80/1182433480.db2.gz AKYJXFSZTOKOAG-CWRNSKLLSA-N 0 0 314.429 3.304 20 10 DGCDRN Cc1cccc2c(O)c(C(=O)N[C@@H](C)c3ccccc3O)cnc12 ZINC001457970503 1182488083 /nfs/dbraw/zinc/48/80/83/1182488083.db2.gz IKCUDKHAAAFPER-LBPRGKRZSA-N 0 0 322.364 3.033 20 10 DGCDRN COC(=O)/C=C/c1ccc(N2CCC(C)(F)CC2)c([N+](=O)[O-])c1 ZINC001458512395 1182533428 /nfs/dbraw/zinc/53/34/28/1182533428.db2.gz ANTFKXBRUQLMHA-GQCTYLIASA-N 0 0 322.336 3.109 20 10 DGCDRN CCN(Cc1csnc1OC)c1ccc(OC)c(OC)c1 ZINC001652870581 1195664029 /nfs/dbraw/zinc/66/40/29/1195664029.db2.gz LJTMWUPAAANYGC-UHFFFAOYSA-N 0 0 308.403 3.195 20 10 DGCDRN COC(=O)c1cnc(SCC(=O)c2ccccc2C)s1 ZINC001459103313 1182567947 /nfs/dbraw/zinc/56/79/47/1182567947.db2.gz HQSXSUCSQSITPR-UHFFFAOYSA-N 0 0 307.396 3.213 20 10 DGCDRN C[C@H](NC(=O)c1nncc2ccccc21)c1ccc(N(C)C)cc1 ZINC001459180517 1182572218 /nfs/dbraw/zinc/57/22/18/1182572218.db2.gz ZWSDTUDOISQTKN-ZDUSSCGKSA-N 0 0 320.396 3.187 20 10 DGCDRN Cc1cccc(C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC001459180520 1182572388 /nfs/dbraw/zinc/57/23/88/1182572388.db2.gz ZWYZNCKLDOXKNU-CQSZACIVSA-N 0 0 310.397 3.121 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCOc3cc(C)ccc32)c1O ZINC001459593820 1182596695 /nfs/dbraw/zinc/59/66/95/1182596695.db2.gz GLMDVABYDHOFKS-UHFFFAOYSA-N 0 0 315.344 3.441 20 10 DGCDRN COc1ccc(N(CCc2ccccc2)Cc2cnon2)cc1 ZINC001459719674 1182609709 /nfs/dbraw/zinc/60/97/09/1182609709.db2.gz WTXUGNCHUQYVHG-UHFFFAOYSA-N 0 0 309.369 3.328 20 10 DGCDRN COc1cccc(C(=O)Nc2c3nonc3ccc2Cl)c1C ZINC001459790050 1182616673 /nfs/dbraw/zinc/61/66/73/1182616673.db2.gz UJCPAZRKEQIMHE-UHFFFAOYSA-N 0 0 317.732 3.446 20 10 DGCDRN COC(=O)COc1ccc(N(C)CCCCOC(C)(C)C)cc1 ZINC001459940205 1182631099 /nfs/dbraw/zinc/63/10/99/1182631099.db2.gz ZGEBCHZQGXPRMJ-UHFFFAOYSA-N 0 0 323.433 3.270 20 10 DGCDRN Cc1nccn1CCCC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001461231064 1182783755 /nfs/dbraw/zinc/78/37/55/1182783755.db2.gz LPMNSTHNOMLFON-UHFFFAOYSA-N 0 0 311.788 3.260 20 10 DGCDRN C/C(=C/C(=O)N(C)c1ccc(F)cc1Cl)c1cnccn1 ZINC001461434262 1182813961 /nfs/dbraw/zinc/81/39/61/1182813961.db2.gz GIXWQWIEDLUPLM-YFHOEESVSA-N 0 0 305.740 3.335 20 10 DGCDRN Cc1cc(C(N)=O)ccc1NC/C=C\c1ccc(N(C)C)cc1 ZINC001461789563 1182855289 /nfs/dbraw/zinc/85/52/89/1182855289.db2.gz LIUMMYQAGVNTJX-PLNGDYQASA-N 0 0 309.413 3.285 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]CCc1ccc(F)c(F)c1F ZINC001461989135 1182889307 /nfs/dbraw/zinc/88/93/07/1182889307.db2.gz DPFMNDUAUYFJBY-UHFFFAOYSA-N 0 0 317.257 3.420 20 10 DGCDRN C[C@@H]1CN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CCO1 ZINC001462005988 1182893810 /nfs/dbraw/zinc/89/38/10/1182893810.db2.gz AQDWCTWEIKGZCD-QGZVFWFLSA-N 0 0 322.452 3.470 20 10 DGCDRN CCOC(=O)c1cc(NCc2c(O)cc(C)cc2Cl)cn1C ZINC001462203514 1182923713 /nfs/dbraw/zinc/92/37/13/1182923713.db2.gz YANJXALTWGHTTN-UHFFFAOYSA-N 0 0 322.792 3.481 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@H]1CCN(C2CCCCC2)C1 ZINC001462443491 1182953566 /nfs/dbraw/zinc/95/35/66/1182953566.db2.gz RHVVPAVMTGMXFW-ZDUSSCGKSA-N 0 0 310.388 3.167 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC001462521128 1182963940 /nfs/dbraw/zinc/96/39/40/1182963940.db2.gz HWZALVIRWUQRAZ-NXEZZACHSA-N 0 0 301.814 3.370 20 10 DGCDRN C[C@H](CC(N)=O)c1ccc(NCc2cc(F)c(F)cc2O)cc1 ZINC001462601791 1182975349 /nfs/dbraw/zinc/97/53/49/1182975349.db2.gz GVUGXORWKIJQTM-SNVBAGLBSA-N 0 0 320.339 3.261 20 10 DGCDRN C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001464071108 1183068658 /nfs/dbraw/zinc/06/86/58/1183068658.db2.gz HXJZZZHIRBAIQT-JTQLQIEISA-N 0 0 321.323 3.138 20 10 DGCDRN Cc1cc(C)c2c(c1)N(C(=O)/C=C/c1cncc(O)c1)CCC2 ZINC001464793461 1183112755 /nfs/dbraw/zinc/11/27/55/1183112755.db2.gz RIFAAFNKGSBMTQ-AATRIKPKSA-N 0 0 308.381 3.397 20 10 DGCDRN CO[C@@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)c1ccccc1 ZINC001606679245 1193202929 /nfs/dbraw/zinc/20/29/29/1193202929.db2.gz AYPMPCKJOVEYLU-SJCJKPOMSA-N 0 0 315.369 3.129 20 10 DGCDRN Cc1csc(N(C)C(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC001464866344 1183118756 /nfs/dbraw/zinc/11/87/56/1183118756.db2.gz CNBNZTVRFAQSEU-UHFFFAOYSA-N 0 0 320.395 3.354 20 10 DGCDRN Cc1ccncc1/C=C\C(=O)NCc1cccc(Cl)c1O ZINC001606860747 1193206347 /nfs/dbraw/zinc/20/63/47/1193206347.db2.gz RIGCTKCZSZOPHF-WAYWQWQTSA-N 0 0 302.761 3.079 20 10 DGCDRN Cc1cc(C(=O)N(C)Cc2ccccc2O)ccc1-n1cccn1 ZINC001465843287 1183172832 /nfs/dbraw/zinc/17/28/32/1183172832.db2.gz YJQNKJMRXNYYIY-UHFFFAOYSA-N 0 0 321.380 3.159 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1ccc(Cl)c2occc21 ZINC001465953293 1183179039 /nfs/dbraw/zinc/17/90/39/1183179039.db2.gz DQDFZJGDDQVILX-UHFFFAOYSA-N 0 0 317.728 3.427 20 10 DGCDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)c1ccccc1O ZINC001466250172 1183194769 /nfs/dbraw/zinc/19/47/69/1183194769.db2.gz CWMMPNOOURJFKN-NSHDSACASA-N 0 0 315.329 3.492 20 10 DGCDRN C[C@@H](NC(=O)C1(c2cccnc2)CC1)c1ccc(N(C)C)cc1 ZINC001467260424 1183250358 /nfs/dbraw/zinc/25/03/58/1183250358.db2.gz RRXDOUDCXHBJSF-CQSZACIVSA-N 0 0 309.413 3.057 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC[C@@H]2C=CCC2)cc1 ZINC001468121423 1183310793 /nfs/dbraw/zinc/31/07/93/1183310793.db2.gz KCMZIAKYZIGEFT-OAHLLOKOSA-N 0 0 301.434 3.298 20 10 DGCDRN COc1cc(C)cc(C[N@H+](CC(C)C)CC(C)(C)C(=O)[O-])c1O ZINC001607149348 1193215089 /nfs/dbraw/zinc/21/50/89/1193215089.db2.gz JMLLBQFTFLPDIG-UHFFFAOYSA-N 0 0 323.433 3.278 20 10 DGCDRN C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(F)cc1Cl ZINC001468379101 1183330416 /nfs/dbraw/zinc/33/04/16/1183330416.db2.gz CRZYWFGQVBGTMP-VIFPVBQESA-N 0 0 323.751 3.310 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC001468743857 1183354578 /nfs/dbraw/zinc/35/45/78/1183354578.db2.gz LFJSLHUYIZWEMQ-PLYYQAHHSA-N 0 0 315.461 3.152 20 10 DGCDRN CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001468806867 1183361454 /nfs/dbraw/zinc/36/14/54/1183361454.db2.gz BCIBEODESPBHCF-GOEBONIOSA-N 0 0 305.399 3.477 20 10 DGCDRN O=C(CSc1ccccc1Cl)NCc1ccc(O)cc1O ZINC001469153918 1183387051 /nfs/dbraw/zinc/38/70/51/1183387051.db2.gz XIESNXBYUPWDBR-UHFFFAOYSA-N 0 0 323.801 3.160 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)C(F)(F)Cc2ccccc2)c1 ZINC001470254908 1183473440 /nfs/dbraw/zinc/47/34/40/1183473440.db2.gz OAWQOOMOEOFVLN-UHFFFAOYSA-N 0 0 305.324 3.195 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccc(-c3cc[nH]n3)s2)c1 ZINC001470255142 1183473620 /nfs/dbraw/zinc/47/36/20/1183473620.db2.gz RGMJPQXAQRQOHV-UHFFFAOYSA-N 0 0 313.382 3.082 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cccc(OC(F)F)c2)c1 ZINC001470254591 1183473688 /nfs/dbraw/zinc/47/36/88/1183473688.db2.gz IYKJCYIYVIRADB-UHFFFAOYSA-N 0 0 307.296 3.232 20 10 DGCDRN COc1ccc(F)c(CNC(=O)N[C@H](C)c2ccccc2O)c1 ZINC001470878357 1183520471 /nfs/dbraw/zinc/52/04/71/1183520471.db2.gz MDWWALCQYOPPCT-LLVKDONJSA-N 0 0 318.348 3.100 20 10 DGCDRN CSCC1(CC[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)CC1 ZINC001607393098 1193227057 /nfs/dbraw/zinc/22/70/57/1193227057.db2.gz HKCHFRACINKFEU-LLVKDONJSA-N 0 0 309.431 3.274 20 10 DGCDRN Cc1cc(CNC(=O)C2(O)CCCC2)c(C)n1-c1ccccc1 ZINC001471017707 1183532642 /nfs/dbraw/zinc/53/26/42/1183532642.db2.gz LAQASNMOTOHHJR-UHFFFAOYSA-N 0 0 312.413 3.015 20 10 DGCDRN O=C(/C=C/c1cncc(O)c1)N(CC1CC1)c1cccc(F)c1 ZINC001471168681 1183543118 /nfs/dbraw/zinc/54/31/18/1183543118.db2.gz WOVUTVKXDPMFQV-VOTSOKGWSA-N 0 0 312.344 3.383 20 10 DGCDRN C[C@@H](NC(=O)CCn1cnc2ccccc21)c1ccccc1O ZINC001471193329 1183545582 /nfs/dbraw/zinc/54/55/82/1183545582.db2.gz BRCQRDFTPNMYJQ-CYBMUJFWSA-N 0 0 309.369 3.009 20 10 DGCDRN C[C@@H](NC(=O)c1cnc(-c2ccccc2)[nH]1)c1ccccc1O ZINC001471195095 1183545678 /nfs/dbraw/zinc/54/56/78/1183545678.db2.gz BLCDKMFCCIDPAY-GFCCVEGCSA-N 0 0 307.353 3.273 20 10 DGCDRN C[C@@H](CC(=O)NCc1cc(O)ccc1O)c1c[nH]c2ccccc21 ZINC001471661295 1183580418 /nfs/dbraw/zinc/58/04/18/1183580418.db2.gz MIVPJTBPCCQWPK-LBPRGKRZSA-N 0 0 324.380 3.389 20 10 DGCDRN O=C(Cc1ccc(F)c(Cl)c1)NCc1c(O)cccc1F ZINC001471975952 1183603873 /nfs/dbraw/zinc/60/38/73/1183603873.db2.gz OCSMABBREDUUHO-UHFFFAOYSA-N 0 0 311.715 3.183 20 10 DGCDRN Cc1ccc(C(=O)NCc2c(O)cccc2F)c(N)c1Cl ZINC001471975853 1183604367 /nfs/dbraw/zinc/60/43/67/1183604367.db2.gz JYYRGELTKHEJDU-UHFFFAOYSA-N 0 0 308.740 3.005 20 10 DGCDRN CC1(C)Cc2ccc(C(=O)NCc3c(O)cccc3F)cc2O1 ZINC001471975797 1183604537 /nfs/dbraw/zinc/60/45/37/1183604537.db2.gz HSIHWJXMBVBFAP-UHFFFAOYSA-N 0 0 315.344 3.175 20 10 DGCDRN CCc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1c(O)cccc1O ZINC001472064068 1183613672 /nfs/dbraw/zinc/61/36/72/1183613672.db2.gz SKRMJNLEEGCPGZ-LSDHHAIUSA-N 0 0 311.381 3.080 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1csc2cncn21 ZINC001472086091 1183614477 /nfs/dbraw/zinc/61/44/77/1183614477.db2.gz LJXVJNHWDVMWBG-UHFFFAOYSA-N 0 0 323.377 3.185 20 10 DGCDRN Cc1cccc(C)c1CN(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001472143987 1183621126 /nfs/dbraw/zinc/62/11/26/1183621126.db2.gz VABUHWXYWHAYTN-CSKARUKUSA-N 0 0 311.381 3.386 20 10 DGCDRN C[C@@H](O)CCNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001472726784 1183674053 /nfs/dbraw/zinc/67/40/53/1183674053.db2.gz AFVPKYHIUVTXLF-GFCCVEGCSA-N 0 0 314.341 3.009 20 10 DGCDRN COC(=O)c1cnc(N[C@@H](C)c2ccccc2O)c(Cl)c1 ZINC001472855667 1183691275 /nfs/dbraw/zinc/69/12/75/1183691275.db2.gz CIMZMVVVYOKFIM-VIFPVBQESA-N 0 0 306.749 3.400 20 10 DGCDRN CCOC(=O)C1(NCc2ccc(OC)c(C)c2)CCCCC1 ZINC001473238563 1183733574 /nfs/dbraw/zinc/73/35/74/1183733574.db2.gz CAQPYZUPHBBERT-UHFFFAOYSA-N 0 0 305.418 3.359 20 10 DGCDRN COc1ccc(N(C)C[C@H]2CC[C@H](C(F)(F)F)O2)cc1F ZINC001473251865 1183736013 /nfs/dbraw/zinc/73/60/13/1183736013.db2.gz XWPDCSPFWKBXER-ZWNOBZJWSA-N 0 0 307.287 3.380 20 10 DGCDRN COC(=O)/C(C)=C/CN1C[C@H](C(C)C)Cc2cc(OC)ccc21 ZINC001473570260 1183774766 /nfs/dbraw/zinc/77/47/66/1183774766.db2.gz ZXNZEQQAMPNMOS-FCONWMNKSA-N 0 0 317.429 3.449 20 10 DGCDRN CCOCCOCCN1C[C@H](C(C)C)Cc2cc(OC)ccc21 ZINC001473569245 1183775105 /nfs/dbraw/zinc/77/51/05/1183775105.db2.gz FTMLPDHCGFPPQS-QGZVFWFLSA-N 0 0 321.461 3.383 20 10 DGCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@H](O)C(F)(F)F ZINC001473570044 1183775324 /nfs/dbraw/zinc/77/53/24/1183775324.db2.gz NQTQHDUAIAGBNQ-DOMZBBRYSA-N 0 0 317.351 3.253 20 10 DGCDRN CN(C)c1ccc(CN2CCS[C@H](C(F)(F)F)C2)cc1 ZINC001473800512 1183803887 /nfs/dbraw/zinc/80/38/87/1183803887.db2.gz MEEGUPVNXBACDK-ZDUSSCGKSA-N 0 0 304.381 3.232 20 10 DGCDRN CCN(CC)[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccco1 ZINC001473966168 1183840247 /nfs/dbraw/zinc/84/02/47/1183840247.db2.gz CJSJPDGWDPTKQB-OAHLLOKOSA-N 0 0 324.371 3.436 20 10 DGCDRN CCn1nc(C)c(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])c1C ZINC001473974236 1183841395 /nfs/dbraw/zinc/84/13/95/1183841395.db2.gz DUBHVNGVIPIECB-UHFFFAOYSA-N 0 0 311.788 3.308 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC001474100695 1183867533 /nfs/dbraw/zinc/86/75/33/1183867533.db2.gz SXWCWBWEYZWQFH-NILFDRSVSA-N 0 0 311.784 3.232 20 10 DGCDRN Cc1cc(C[NH2+]Cc2c(O)cc(C)cc2Cl)oc1C(=O)[O-] ZINC001607700161 1193249422 /nfs/dbraw/zinc/24/94/22/1193249422.db2.gz VBYMZDOTXGDBLC-UHFFFAOYSA-N 0 0 309.749 3.243 20 10 DGCDRN Cc1noc([C@@H](NCc2ccc(N3CCCC3)cc2)C(C)C)n1 ZINC001474305729 1183902258 /nfs/dbraw/zinc/90/22/58/1183902258.db2.gz VLADVWXWKBKWTK-KRWDZBQOSA-N 0 0 314.433 3.465 20 10 DGCDRN O=C1CCCN1c1cccc(NCc2cc(F)c(F)cc2O)c1 ZINC001474383725 1183913466 /nfs/dbraw/zinc/91/34/66/1183913466.db2.gz FLYASBZZJZIOCL-UHFFFAOYSA-N 0 0 318.323 3.409 20 10 DGCDRN CN1CCCC(C)(C)[C@@H]1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC001474498747 1183931734 /nfs/dbraw/zinc/93/17/34/1183931734.db2.gz XHUQCYHLLHPKHA-HNNXBMFYSA-N 0 0 314.832 3.395 20 10 DGCDRN CC(C)c1ccc(O)c(CNc2ccc3c(c2)CCNC3=O)c1 ZINC001474624907 1183951362 /nfs/dbraw/zinc/95/13/62/1183951362.db2.gz GQIKOJIMYRGSSV-UHFFFAOYSA-N 0 0 310.397 3.414 20 10 DGCDRN CC1(C)CC[C@@H](O)[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001474659506 1183957103 /nfs/dbraw/zinc/95/71/03/1183957103.db2.gz JHQDHWBUUMMLJG-CHWSQXEVSA-N 0 0 301.789 3.214 20 10 DGCDRN CCN(C(=O)C[NH2+]Cc1cccc(Cl)c1[O-])c1ccccc1 ZINC001474709269 1183965639 /nfs/dbraw/zinc/96/56/39/1183965639.db2.gz FNBIXTKTRWFYQP-UHFFFAOYSA-N 0 0 318.804 3.188 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)OC1CCCCC1 ZINC001475014835 1183984734 /nfs/dbraw/zinc/98/47/34/1183984734.db2.gz VOTARGPIGOMZQZ-UHFFFAOYSA-N 0 0 304.390 3.421 20 10 DGCDRN COc1cccc(CNC(=O)OCc2ccccc2C)c1O ZINC001475007746 1183985257 /nfs/dbraw/zinc/98/52/57/1183985257.db2.gz TYUVITMWABYPGR-UHFFFAOYSA-N 0 0 301.342 3.136 20 10 DGCDRN C[C@@H]1CC=CC[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC001477458023 1184090569 /nfs/dbraw/zinc/09/05/69/1184090569.db2.gz DSNHLPASNAKYPK-CRAIPNDOSA-N 0 0 313.445 3.441 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC/C=C\Cl ZINC001478840992 1184180377 /nfs/dbraw/zinc/18/03/77/1184180377.db2.gz MWYCQQWIZGVWGX-UJZCVKTISA-N 0 0 309.841 3.044 20 10 DGCDRN C[C@H](NC(=O)N1Cc2cccc(O)c2C1)c1nc2ccccc2[nH]1 ZINC001478852930 1184181574 /nfs/dbraw/zinc/18/15/74/1184181574.db2.gz PUOIGWDUOGATBU-NSHDSACASA-N 0 0 322.368 3.055 20 10 DGCDRN Cc1oc(C[N@@H+](C)Cc2cc3c(cc2O)CCC3)cc1C(=O)[O-] ZINC001608046162 1193275298 /nfs/dbraw/zinc/27/52/98/1193275298.db2.gz PXHOHVWGSHGTND-UHFFFAOYSA-N 0 0 315.369 3.113 20 10 DGCDRN COC[C@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)c1ccc(C)o1 ZINC001610249625 1193380022 /nfs/dbraw/zinc/38/00/22/1193380022.db2.gz RJVCKQFVZWPTCT-FZMZJTMJSA-N 0 0 319.357 3.030 20 10 DGCDRN COc1ccc(C[NH2+][C@H]2CCC[C@@H](CCCC(=O)[O-])C2)c(O)c1 ZINC001610335783 1193383233 /nfs/dbraw/zinc/38/32/33/1193383233.db2.gz LMPLJTYEBMCRDS-ZFWWWQNUSA-N 0 0 321.417 3.304 20 10 DGCDRN Cc1ccc(O)c(C[N@@H+](Cc2ccccc2)C[C@H](C)C(=O)[O-])c1 ZINC001610509590 1193394732 /nfs/dbraw/zinc/39/47/32/1193394732.db2.gz LTQWCCGSEHZCLK-HNNXBMFYSA-N 0 0 313.397 3.424 20 10 DGCDRN Cc1csc(CCC[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)n1 ZINC001610546475 1193397309 /nfs/dbraw/zinc/39/73/09/1193397309.db2.gz UABKVUNUQMWHHC-NSHDSACASA-N 0 0 320.414 3.139 20 10 DGCDRN CCc1cc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])[nH]n1 ZINC001655603878 1195938533 /nfs/dbraw/zinc/93/85/33/1195938533.db2.gz SIUUJSIFYYMJHE-UHFFFAOYSA-N 0 0 300.189 3.274 20 10 DGCDRN CC/C=C\Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O ZINC001514203578 1186703603 /nfs/dbraw/zinc/70/36/03/1186703603.db2.gz XZMQVXZXCFYXLG-DAXSKMNVSA-N 0 0 312.417 3.464 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2C[C@H](C)[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC001612509827 1193453410 /nfs/dbraw/zinc/45/34/10/1193453410.db2.gz NGMRPFLRPUTNNY-VUDWQKMESA-N 0 0 318.373 3.262 20 10 DGCDRN Cc1ncsc1CCC(=O)Nc1c2nonc2ccc1Cl ZINC001520358787 1186936409 /nfs/dbraw/zinc/93/64/09/1186936409.db2.gz GHHDZYCGISBZMT-UHFFFAOYSA-N 0 0 322.777 3.212 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N(C)Cc1ccoc1C ZINC001520732147 1186963833 /nfs/dbraw/zinc/96/38/33/1186963833.db2.gz VOHHJKFSYYACTA-UHFFFAOYSA-N 0 0 318.402 3.270 20 10 DGCDRN C[C@H]1C[C@@H]1c1nnc(N(C)Cc2ccccc2O)n1CC1CC1 ZINC001521095373 1186996228 /nfs/dbraw/zinc/99/62/28/1186996228.db2.gz HICAICPGKCWTOK-WFASDCNBSA-N 0 0 312.417 3.154 20 10 DGCDRN CCc1c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cnn1CC ZINC001523200594 1187138715 /nfs/dbraw/zinc/13/87/15/1187138715.db2.gz JUPCGRFGQMUGHZ-CYBMUJFWSA-N 0 0 314.433 3.022 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)NCCC(F)F)cc1 ZINC001523726630 1187182517 /nfs/dbraw/zinc/18/25/17/1187182517.db2.gz STRMVZALTIYVJK-UHFFFAOYSA-N 0 0 313.392 3.329 20 10 DGCDRN CCCCOCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001525107424 1187296891 /nfs/dbraw/zinc/29/68/91/1187296891.db2.gz RMIJIWKGCGZIRK-UHFFFAOYSA-N 0 0 304.434 3.062 20 10 DGCDRN C/C(=C/c1cccnc1)C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC001526959162 1187401831 /nfs/dbraw/zinc/40/18/31/1187401831.db2.gz PXFZHUPPSMKXRO-JYRVWZFOSA-N 0 0 323.352 3.291 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]1Cc2ccccc2O1 ZINC001530833966 1187648750 /nfs/dbraw/zinc/64/87/50/1187648750.db2.gz ZFMRRQHHXGFHEV-SFHVURJKSA-N 0 0 324.424 3.071 20 10 DGCDRN CC[C@H]1CCC[C@H]1C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001531375042 1187682837 /nfs/dbraw/zinc/68/28/37/1187682837.db2.gz PSBNBUSIHPNKLI-MAUKXSAKSA-N 0 0 318.461 3.416 20 10 DGCDRN CC[C@@H](OC)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001531612059 1187699132 /nfs/dbraw/zinc/69/91/32/1187699132.db2.gz KVQPATTVSYAXNW-GOSISDBHSA-N 0 0 314.429 3.444 20 10 DGCDRN CCOC1CC(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001531692525 1187705439 /nfs/dbraw/zinc/70/54/39/1187705439.db2.gz AWSRLXADALQVAT-UHFFFAOYSA-N 0 0 316.445 3.060 20 10 DGCDRN C[C@@H]1CC/C(=C/C(=O)N2CCOc3cc(N(C)C)ccc32)C1 ZINC001532657164 1187775017 /nfs/dbraw/zinc/77/50/17/1187775017.db2.gz UXUUWJRFHCBSCE-KECPUOCWSA-N 0 0 300.402 3.224 20 10 DGCDRN CCOC(=O)CN(Cc1ccc(N(C)CC)cc1)CC(C)C ZINC001615285525 1193519318 /nfs/dbraw/zinc/51/93/18/1193519318.db2.gz HGUHWOSMOQDOMP-UHFFFAOYSA-N 0 0 306.450 3.164 20 10 DGCDRN Cc1conc1C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001534765635 1187920414 /nfs/dbraw/zinc/92/04/14/1187920414.db2.gz HGHSNPAENSLUHN-UHFFFAOYSA-N 0 0 309.369 3.321 20 10 DGCDRN Cc1cc(CNC(=O)c2cncnc2)c(C)n1-c1cccc(C)c1 ZINC001535136465 1187941234 /nfs/dbraw/zinc/94/12/34/1187941234.db2.gz OYBCHXKRRCPDIW-UHFFFAOYSA-N 0 0 320.396 3.123 20 10 DGCDRN COc1ccc(N(CCc2ccccc2)Cc2nnc(C)[nH]2)cc1 ZINC001616055533 1193531828 /nfs/dbraw/zinc/53/18/28/1193531828.db2.gz BZCWJBUJZNOFMW-UHFFFAOYSA-N 0 0 322.412 3.371 20 10 DGCDRN Cc1cc(CC(=O)N[C@H](C)C(F)F)c(C)n1-c1ccccc1 ZINC001536726346 1188028251 /nfs/dbraw/zinc/02/82/51/1188028251.db2.gz IVKCQARDEFHHAE-GFCCVEGCSA-N 0 0 306.356 3.406 20 10 DGCDRN Cc1ccncc1/C=C\C(=O)N1CCOc2c(F)cc(F)cc21 ZINC001616246710 1193533914 /nfs/dbraw/zinc/53/39/14/1193533914.db2.gz PMOBPUOIHZJYNI-IHWYPQMZSA-N 0 0 316.307 3.107 20 10 DGCDRN C/C(=C\C(=O)N(C)c1ccc2ccccc2n1)c1cnccn1 ZINC001538064077 1188116302 /nfs/dbraw/zinc/11/63/02/1188116302.db2.gz AZTHCNUHUFOKDT-ACCUITESSA-N 0 0 304.353 3.091 20 10 DGCDRN COc1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n(C)n1 ZINC001538249284 1188128295 /nfs/dbraw/zinc/12/82/95/1188128295.db2.gz OGJZZASDFCEUFM-UHFFFAOYSA-N 0 0 324.384 3.089 20 10 DGCDRN C[C@H]1CCc2ccccc2N1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001540435735 1188239444 /nfs/dbraw/zinc/23/94/44/1188239444.db2.gz XHGPLWXNJADGNW-YKWSONSWSA-N 0 0 309.365 3.479 20 10 DGCDRN COC[C@H](C)CNC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001542402968 1188284183 /nfs/dbraw/zinc/28/41/83/1188284183.db2.gz FHUGEYLCTVUJRL-CQSZACIVSA-N 0 0 314.429 3.415 20 10 DGCDRN CCC[C@@H](OCC)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC001616925353 1193551899 /nfs/dbraw/zinc/55/18/99/1193551899.db2.gz WOYDWHCSHRRCKY-QGZVFWFLSA-N 0 0 324.440 3.493 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)[C@@H]1C[C@H]1c1ccco1 ZINC001543805527 1188364661 /nfs/dbraw/zinc/36/46/61/1188364661.db2.gz FYJYWZFOUKCDIV-HTQZYQBOSA-N 0 0 303.705 3.211 20 10 DGCDRN COc1ccc(N(CCC(C)C)C[C@@H]2C[C@@H]3COC[C@@H]3O2)cc1 ZINC001617720635 1193578437 /nfs/dbraw/zinc/57/84/37/1193578437.db2.gz WTGXOEJIMXORGU-MNEFBYGVSA-N 0 0 319.445 3.352 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2nccnc2C)cc1 ZINC001617782352 1193580561 /nfs/dbraw/zinc/58/05/61/1193580561.db2.gz NHPLHLUAWLHDNT-UHFFFAOYSA-N 0 0 306.369 3.445 20 10 DGCDRN C[C@@H]1CC[C@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC001556468175 1189002528 /nfs/dbraw/zinc/00/25/28/1189002528.db2.gz BHZFRGLZSDJEBI-ZJUUUORDSA-N 0 0 305.399 3.479 20 10 DGCDRN Cc1ccc2c(CCC(=O)NCc3ccc(O)cc3O)c[nH]c2c1 ZINC001557085009 1189040376 /nfs/dbraw/zinc/04/03/76/1189040376.db2.gz YNGIFLOFYVZBIH-UHFFFAOYSA-N 0 0 324.380 3.137 20 10 DGCDRN Cc1cccnc1/C=C/C(=O)NCc1cc(Cl)ccc1O ZINC001557386096 1189061154 /nfs/dbraw/zinc/06/11/54/1189061154.db2.gz CMOPDNOQSKNTQX-FNORWQNLSA-N 0 0 302.761 3.079 20 10 DGCDRN O=C(/C=C\COc1ccccc1)NCc1cc(Cl)ccc1O ZINC001557386949 1189061183 /nfs/dbraw/zinc/06/11/83/1189061183.db2.gz OLQVNTVZXDRGCK-DAXSKMNVSA-N 0 0 317.772 3.297 20 10 DGCDRN Cc1c2ccccc2c(=O)[nH]c1C(=O)N1Cc2cccc(O)c2C1 ZINC001558035880 1189100828 /nfs/dbraw/zinc/10/08/28/1189100828.db2.gz PAVXYTZAOPHGKH-UHFFFAOYSA-N 0 0 320.348 3.110 20 10 DGCDRN Cc1ccc(C(=O)CCC(=O)NCc2c(O)cccc2F)cc1 ZINC001558456492 1189125986 /nfs/dbraw/zinc/12/59/86/1189125986.db2.gz YGKGGSHOVTZUTD-UHFFFAOYSA-N 0 0 315.344 3.119 20 10 DGCDRN O=C(/C=C\SCc1ccco1)NCc1c(O)cccc1F ZINC001558455151 1189126261 /nfs/dbraw/zinc/12/62/61/1189126261.db2.gz QKSWBGKPFMOBTE-VURMDHGXSA-N 0 0 307.346 3.188 20 10 DGCDRN C[C@H](C(=O)NCc1c(O)cccc1F)c1c(F)cccc1F ZINC001558455818 1189126419 /nfs/dbraw/zinc/12/64/19/1189126419.db2.gz ZIIUTMWCHHSXCG-VIFPVBQESA-N 0 0 309.287 3.229 20 10 DGCDRN Cc1ccc(CCCC(=O)NCc2c(O)cccc2O)s1 ZINC001558533588 1189132330 /nfs/dbraw/zinc/13/23/30/1189132330.db2.gz HWFHUVXNOBIHLY-UHFFFAOYSA-N 0 0 305.399 3.107 20 10 DGCDRN O=C(NCc1c(O)cccc1O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001558535539 1189132358 /nfs/dbraw/zinc/13/23/58/1189132358.db2.gz JLWDNDVVJBWGQO-QWHCGFSZSA-N 0 0 317.772 3.171 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1cc(Cl)cc(Cl)c1 ZINC001558534401 1189132402 /nfs/dbraw/zinc/13/24/02/1189132402.db2.gz OTYPWMVYUWEPJR-UHFFFAOYSA-N 0 0 312.152 3.335 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1c(F)cncc1F ZINC001558553817 1189132797 /nfs/dbraw/zinc/13/27/97/1189132797.db2.gz BIQBTYADFYLPPD-UHFFFAOYSA-N 0 0 314.291 3.149 20 10 DGCDRN COc1ccccc1CC(=O)NCc1c(O)ccc2ccccc21 ZINC001558553766 1189132889 /nfs/dbraw/zinc/13/28/89/1189132889.db2.gz ZYNORRKYXYPMLN-UHFFFAOYSA-N 0 0 321.376 3.413 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC(=O)CC[C@@H]2C)cc1 ZINC001558650620 1189139866 /nfs/dbraw/zinc/13/98/66/1189139866.db2.gz XBSNOAWNZSBWPT-ZDUSSCGKSA-N 0 0 310.397 3.288 20 10 DGCDRN Cc1cc(Cl)nc(C(=O)NCc2cccc(Cl)c2O)c1 ZINC001558757597 1189146416 /nfs/dbraw/zinc/14/64/16/1189146416.db2.gz LCCRBJLTGVBKGN-UHFFFAOYSA-N 0 0 311.168 3.332 20 10 DGCDRN Cn1ccc2c1cccc2C(=O)NCc1cccc(Cl)c1O ZINC001558757213 1189146547 /nfs/dbraw/zinc/14/65/47/1189146547.db2.gz UXRKBCNQRXCHKX-UHFFFAOYSA-N 0 0 314.772 3.467 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1ccc2[nH]ccc2c1 ZINC001558756948 1189146583 /nfs/dbraw/zinc/14/65/83/1189146583.db2.gz IVRPMSVVWPDGBM-UHFFFAOYSA-N 0 0 300.745 3.457 20 10 DGCDRN Oc1ccc(CCNc2cc(-c3ccccc3)ncn2)cc1O ZINC001559124922 1189173331 /nfs/dbraw/zinc/17/33/31/1189173331.db2.gz CNEMFIJCNWVCIT-UHFFFAOYSA-N 0 0 307.353 3.209 20 10 DGCDRN CCc1cc2c(ncnc2NCc2cc(O)ccc2O)s1 ZINC001559270246 1189189623 /nfs/dbraw/zinc/18/96/23/1189189623.db2.gz JINVIKQSEZLOPT-UHFFFAOYSA-N 0 0 301.371 3.277 20 10 DGCDRN CCOC(=O)CN(CC[C@@H]1C[C@H]1C1CC1)Cc1ccccc1O ZINC001559930192 1189258832 /nfs/dbraw/zinc/25/88/32/1189258832.db2.gz HVFBGBXHACEZOS-WBVHZDCISA-N 0 0 317.429 3.194 20 10 DGCDRN Cc1cc(CN2Cc3ccccc3NC(=O)[C@H]2C)ccc1N(C)C ZINC001559989573 1189266299 /nfs/dbraw/zinc/26/62/99/1189266299.db2.gz SSUMMNLAPMCBES-OAHLLOKOSA-N 0 0 323.440 3.404 20 10 DGCDRN Cc1cc(C)cc(OCC[NH2+]Cc2cc(F)cc(F)c2[O-])c1 ZINC001560289870 1189306261 /nfs/dbraw/zinc/30/62/61/1189306261.db2.gz UMJVMFPZSDSPIQ-UHFFFAOYSA-N 0 0 307.340 3.456 20 10 DGCDRN Cc1c(NCc2cc(F)c(N(C)C)cc2F)cccc1C(N)=O ZINC001560381142 1189320860 /nfs/dbraw/zinc/32/08/60/1189320860.db2.gz CQBNXNIBBSOFOF-UHFFFAOYSA-N 0 0 319.355 3.050 20 10 DGCDRN C[C@]1(C[NH2+]Cc2cc(F)cc(F)c2[O-])OCCc2ccccc21 ZINC001560570970 1189343273 /nfs/dbraw/zinc/34/32/73/1189343273.db2.gz BITQCRAIWCCOEL-GOSISDBHSA-N 0 0 319.351 3.248 20 10 DGCDRN Cc1[nH]nc2ncc(NCC=Cc3ccc(N(C)C)cc3)cc12 ZINC001560624572 1189351110 /nfs/dbraw/zinc/35/11/10/1189351110.db2.gz SOBJUGFUHASJFG-SNAWJCMRSA-N 0 0 307.401 3.458 20 10 DGCDRN COc1ccc2c(c1)CCN2Cc1cc(F)c(OC)cc1OC ZINC001560704107 1189363466 /nfs/dbraw/zinc/36/34/66/1189363466.db2.gz XMCTXWMOHALJIK-UHFFFAOYSA-N 0 0 317.360 3.414 20 10 DGCDRN CCOC(=O)CN(Cc1cc(Cl)c(C)cc1O)C1CCC1 ZINC001560736338 1189370527 /nfs/dbraw/zinc/37/05/27/1189370527.db2.gz PMRKVZCIIBMESE-UHFFFAOYSA-N 0 0 311.809 3.272 20 10 DGCDRN COC(=O)[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])CC(C)C ZINC001560863578 1189396177 /nfs/dbraw/zinc/39/61/77/1189396177.db2.gz WYPZCRZCUSBJQU-NSHDSACASA-N 0 0 317.788 3.110 20 10 DGCDRN CC[C@@H](C)C[C@H](NCc1ccc2c(c1)CCCO2)C(=O)OC ZINC001560904035 1189403571 /nfs/dbraw/zinc/40/35/71/1189403571.db2.gz LNYQUJFHQJULSB-CJNGLKHVSA-N 0 0 305.418 3.079 20 10 DGCDRN CC[C@@H]1CN(Cc2cc(F)c(N(C)C)cc2F)[C@@H](CC)CO1 ZINC001560919314 1189405142 /nfs/dbraw/zinc/40/51/42/1189405142.db2.gz AJVVBQQREWRBDE-UONOGXRCSA-N 0 0 312.404 3.420 20 10 DGCDRN COC(=O)c1cnc([C@H](C)N(C)c2ccc(OC)cc2)s1 ZINC001560918226 1189405235 /nfs/dbraw/zinc/40/52/35/1189405235.db2.gz NGUJSEYRCCTMPF-JTQLQIEISA-N 0 0 306.387 3.136 20 10 DGCDRN CN(C)c1cc(F)c(CN2CCc3c(O)cccc3C2)cc1F ZINC001560960797 1189411586 /nfs/dbraw/zinc/41/15/86/1189411586.db2.gz YPUWBHLWQFDZKK-UHFFFAOYSA-N 0 0 318.367 3.295 20 10 DGCDRN Cc1c(NC(=O)N[C@H](C)c2ccccc2O)cccc1[N+](=O)[O-] ZINC001562147149 1189474538 /nfs/dbraw/zinc/47/45/38/1189474538.db2.gz RDIMFLPRRXQHRV-LLVKDONJSA-N 0 0 315.329 3.492 20 10 DGCDRN Cc1cc(NC(=O)N[C@H](C)c2ccccc2O)cc2n[nH]cc21 ZINC001562512504 1189484925 /nfs/dbraw/zinc/48/49/25/1189484925.db2.gz KYPJJVAXSPRRQP-LLVKDONJSA-N 0 0 310.357 3.460 20 10 DGCDRN Cc1c(NC(=O)NCc2ccccc2O)noc1C(C)(C)C ZINC001563201129 1189500044 /nfs/dbraw/zinc/50/00/44/1189500044.db2.gz OKGQPAMGCLVLOB-UHFFFAOYSA-N 0 0 303.362 3.308 20 10 DGCDRN C[C@@H](NC(=O)NCCc1cc(F)ccc1F)c1ccccc1O ZINC001564218737 1189558666 /nfs/dbraw/zinc/55/86/66/1189558666.db2.gz FWLKKXUCBFZQKN-LLVKDONJSA-N 0 0 320.339 3.273 20 10 DGCDRN Cc1cc(F)ccc1CCNC(=O)N[C@H](C)c1ccccc1O ZINC001564288230 1189567342 /nfs/dbraw/zinc/56/73/42/1189567342.db2.gz YCBHCSNOTIBIEI-CYBMUJFWSA-N 0 0 316.376 3.443 20 10 DGCDRN COc1ccc(F)cc1CNC(=O)N[C@H](C)c1ccccc1O ZINC001564621723 1189586656 /nfs/dbraw/zinc/58/66/56/1189586656.db2.gz DWWLJFXUDVTDQX-LLVKDONJSA-N 0 0 318.348 3.100 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H](O)C(C)(C)CC)cc1F ZINC001565687948 1189664144 /nfs/dbraw/zinc/66/41/44/1189664144.db2.gz DGHYBTNSOFBVEF-INIZCTEOSA-N 0 0 324.440 3.085 20 10 DGCDRN CCc1ccc(C(C)(C)CNC(=O)c2cccc(O)c2O)cc1 ZINC001566192697 1189751326 /nfs/dbraw/zinc/75/13/26/1189751326.db2.gz KIMRYONDWKFHJH-UHFFFAOYSA-N 0 0 313.397 3.368 20 10 DGCDRN C/C(=C\c1ccccc1)CN(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001567596678 1190223803 /nfs/dbraw/zinc/22/38/03/1190223803.db2.gz OBUJLGBEOGAUIQ-GXDHUFHOSA-N 0 0 311.381 3.202 20 10 DGCDRN CN(C(=O)/C=C\c1ccc(O)c(O)c1)c1cccc2cccnc21 ZINC001567969783 1190380694 /nfs/dbraw/zinc/38/06/94/1190380694.db2.gz OXWSJJSXFXQZQU-NTMALXAHSA-N 0 0 320.348 3.322 20 10 DGCDRN CCOC1CN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1 ZINC001569666719 1190738376 /nfs/dbraw/zinc/73/83/76/1190738376.db2.gz BBGVSYLXNHIWTD-UHFFFAOYSA-N 0 0 312.413 3.263 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)c1cccc(F)c1F ZINC001570531898 1190877647 /nfs/dbraw/zinc/87/76/47/1190877647.db2.gz RVQSAXHWVKAQLS-UHFFFAOYSA-N 0 0 314.291 3.149 20 10 DGCDRN CCN(CC)c1ccc(C[N@H+](C)Cc2c[nH]c(C(=O)[O-])c2)cc1 ZINC001574499941 1191445128 /nfs/dbraw/zinc/44/51/28/1191445128.db2.gz RJBNOFOKYWPHRD-UHFFFAOYSA-N 0 0 315.417 3.191 20 10 DGCDRN O=C([O-])[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001574817389 1191452688 /nfs/dbraw/zinc/45/26/88/1191452688.db2.gz CHJMBZPKBKAYPC-IBGZPJMESA-N 0 0 324.424 3.245 20 10 DGCDRN CC[C@@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1cn[nH]n1 ZINC001576277606 1191552359 /nfs/dbraw/zinc/55/23/59/1191552359.db2.gz RUSHJPHMRXOOCN-MRXNPFEDSA-N 0 0 323.400 3.093 20 10 DGCDRN CCOC(=O)/C=C/CN1C[C@H](C(C)C)Cc2cc(OC)ccc21 ZINC001618691252 1193748334 /nfs/dbraw/zinc/74/83/34/1193748334.db2.gz FFTRWEVQFMEIOE-FYCOFBDGSA-N 0 0 317.429 3.449 20 10 DGCDRN Nc1ccc(Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cn1 ZINC000019951930 1193785355 /nfs/dbraw/zinc/78/53/55/1193785355.db2.gz MVOBQRUSOCEXCS-UHFFFAOYSA-N 0 0 315.332 3.183 20 10 DGCDRN [O-]c1c(CN2CCC[C@H]2C[NH+]2CCCCC2)ccc(F)c1F ZINC001621133635 1193806939 /nfs/dbraw/zinc/80/69/39/1193806939.db2.gz CWMXJUDEOWDNDI-AWEZNQCLSA-N 0 0 310.388 3.121 20 10 DGCDRN CCc1ccc([C@H]2COCCN2Cc2ccc(C)cc2O)o1 ZINC001621131956 1193807736 /nfs/dbraw/zinc/80/77/36/1193807736.db2.gz LFAQVLNDULPAGR-MRXNPFEDSA-N 0 0 301.386 3.430 20 10 DGCDRN CC(C)c1ccc(O)c(CNc2cccc(-n3cnnn3)c2)c1 ZINC001621194170 1193815531 /nfs/dbraw/zinc/81/55/31/1193815531.db2.gz IYGAPCDNJUXGCK-UHFFFAOYSA-N 0 0 309.373 3.103 20 10 DGCDRN [O-]c1cc(Cl)ccc1C[NH2+][C@@H]1CCc2cc(O)ccc2C1 ZINC001621292054 1193827711 /nfs/dbraw/zinc/82/77/11/1193827711.db2.gz OAPLTEUILJSNCO-OAHLLOKOSA-N 0 0 303.789 3.398 20 10 DGCDRN Cn1cc([C@H]2CSCCN2Cc2ccc(Cl)cc2O)cn1 ZINC001621307879 1193828749 /nfs/dbraw/zinc/82/87/49/1193828749.db2.gz WSDXSNHYIDOIKY-CQSZACIVSA-N 0 0 323.849 3.069 20 10 DGCDRN CN(Cc1c(O)cccc1Br)c1cccc(O)c1 ZINC001621438043 1193842856 /nfs/dbraw/zinc/84/28/56/1193842856.db2.gz CVRUFJLINIYLFL-UHFFFAOYSA-N 0 0 308.175 3.497 20 10 DGCDRN COC(=O)c1ccc(C[NH2+]Cc2c([O-])cccc2F)cc1Cl ZINC001621532750 1193855041 /nfs/dbraw/zinc/85/50/41/1193855041.db2.gz PRHGSXBPWJACES-UHFFFAOYSA-N 0 0 323.751 3.261 20 10 DGCDRN O=C(O[C@@H]1CCOC1)N(Cc1ccccc1O)C1CCCCC1 ZINC001621828195 1193872594 /nfs/dbraw/zinc/87/25/94/1193872594.db2.gz QHCGDRVMSODHBD-MRXNPFEDSA-N 0 0 319.401 3.452 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H](O)CC(C)C ZINC001622370601 1193898530 /nfs/dbraw/zinc/89/85/30/1193898530.db2.gz FCSRIKBUXQZKQJ-CQSZACIVSA-N 0 0 320.458 3.292 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2coc3cc(O)ccc23)cc1 ZINC001623386739 1193930666 /nfs/dbraw/zinc/93/06/66/1193930666.db2.gz IVNWWWUVVNAPRV-UHFFFAOYSA-N 0 0 324.380 3.477 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1ccc(C(F)(F)F)cn1 ZINC001623640376 1193942333 /nfs/dbraw/zinc/94/23/33/1193942333.db2.gz CHFZVGSLHWIVBP-UHFFFAOYSA-N 0 0 311.263 3.128 20 10 DGCDRN CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC001625240823 1194039652 /nfs/dbraw/zinc/03/96/52/1194039652.db2.gz SMNXQFWQUXNLED-JCGIZDLHSA-N 0 0 318.461 3.161 20 10 DGCDRN Cc1cc(C(=O)N[C@H]2C[C@@](C)(O)C2)c(C)n1-c1cccc(C)c1 ZINC001626814246 1194096690 /nfs/dbraw/zinc/09/66/90/1194096690.db2.gz WQEANNHZYMQTTI-GLRZTSSQSA-N 0 0 312.413 3.046 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1ccccc1-c1ccncc1 ZINC001626850158 1194098626 /nfs/dbraw/zinc/09/86/26/1194098626.db2.gz PYELWKQWVZCDPM-UHFFFAOYSA-N 0 0 320.348 3.090 20 10 DGCDRN C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC001626941111 1194103285 /nfs/dbraw/zinc/10/32/85/1194103285.db2.gz UEAANNZQYSLPPB-PILAGYSTSA-N 0 0 312.457 3.367 20 10 DGCDRN C[C@@H]1CCC[C@H](C2CN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)C1 ZINC001649210820 1194106853 /nfs/dbraw/zinc/10/68/53/1194106853.db2.gz ABKMZKPBFTZULJ-BZDCKHMYSA-N 0 0 315.413 3.396 20 10 DGCDRN O=C(CCc1ccc(O)cc1)NCc1cc(Cl)ccc1O ZINC001628667621 1194190847 /nfs/dbraw/zinc/19/08/47/1194190847.db2.gz YJWHUVPOMVVLDQ-UHFFFAOYSA-N 0 0 305.761 3.000 20 10 DGCDRN Cc1ccc(/C=C\C(=O)NCc2cc(Cl)ccc2O)cn1 ZINC001628680662 1194191384 /nfs/dbraw/zinc/19/13/84/1194191384.db2.gz QNPHRVPNMZBFLO-DAXSKMNVSA-N 0 0 302.761 3.079 20 10 DGCDRN COc1ccc(/C=C/C(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001628681077 1194191777 /nfs/dbraw/zinc/19/17/77/1194191777.db2.gz UPHYOCIBQOENHX-RUDMXATFSA-N 0 0 317.772 3.384 20 10 DGCDRN CSc1ccc(Cl)c(C(=O)NCc2ccc(O)cc2O)c1 ZINC001630301530 1194279703 /nfs/dbraw/zinc/27/97/03/1194279703.db2.gz DWRAPCKTDWAPQA-UHFFFAOYSA-N 0 0 323.801 3.403 20 10 DGCDRN COc1cccc(CNC(=O)c2cccc3cccc(O)c32)c1O ZINC001630366839 1194282620 /nfs/dbraw/zinc/28/26/20/1194282620.db2.gz XQOCPWCYNRDXJQ-UHFFFAOYSA-N 0 0 323.348 3.190 20 10 DGCDRN CC(=O)CC1(C(=O)NCc2c(O)ccc3c2CCCC3)CCC1 ZINC001631438417 1194335026 /nfs/dbraw/zinc/33/50/26/1194335026.db2.gz DVZDVFULQBMHMN-UHFFFAOYSA-N 0 0 315.413 3.037 20 10 DGCDRN CC[S@@](=O)c1ccccc1C(=O)N[C@H](C)c1ccccc1O ZINC001632246453 1194378268 /nfs/dbraw/zinc/37/82/68/1194378268.db2.gz JCCZWLQJIXBUMI-VERVWZFWSA-N 0 0 317.410 3.011 20 10 DGCDRN C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccccc1O ZINC001632246743 1194378322 /nfs/dbraw/zinc/37/83/22/1194378322.db2.gz NGQQRSHFIKWROK-SECBINFHSA-N 0 0 320.732 3.445 20 10 DGCDRN C[C@H](NC(=O)/C=C\c1ccnc(Cl)c1)c1ccccc1O ZINC001632250192 1194379268 /nfs/dbraw/zinc/37/92/68/1194379268.db2.gz MULGFPJSKBURCY-ZADCQDASSA-N 0 0 302.761 3.331 20 10 DGCDRN C=C/C=C/CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001632399469 1194386719 /nfs/dbraw/zinc/38/67/19/1194386719.db2.gz VFRRQFXGFJANID-QDLOVBKTSA-N 0 0 301.386 3.032 20 10 DGCDRN Cc1cccn2cc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cc12 ZINC001632681793 1194402168 /nfs/dbraw/zinc/40/21/68/1194402168.db2.gz VJGVHQAHRZKGCY-CYBMUJFWSA-N 0 0 324.380 3.020 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCCC2(CCCCC2)C1 ZINC001632888705 1194410714 /nfs/dbraw/zinc/41/07/14/1194410714.db2.gz FPODJCXSNDXLPS-UHFFFAOYSA-N 0 0 303.402 3.213 20 10 DGCDRN C[C@H](c1ccccc1)N(C(=O)Cc1ccc(O)c(O)c1)C1CC1 ZINC001635084457 1194531876 /nfs/dbraw/zinc/53/18/76/1194531876.db2.gz NJKUWJLNUWGDQW-CYBMUJFWSA-N 0 0 311.381 3.393 20 10 DGCDRN CC[C@@H]1C[C@H]1NC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC001635214478 1194538918 /nfs/dbraw/zinc/53/89/18/1194538918.db2.gz KLNWMBAQKCYEKZ-VQIMIIECSA-N 0 0 324.424 3.364 20 10 DGCDRN O=C(C/C=C/c1ccc(F)cc1)NCc1c(O)cccc1F ZINC001635360399 1194546727 /nfs/dbraw/zinc/54/67/27/1194546727.db2.gz LPOAIGJMPBBUEO-HNQUOIGGSA-N 0 0 303.308 3.390 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cccn2nccc12 ZINC001635663709 1194565355 /nfs/dbraw/zinc/56/53/55/1194565355.db2.gz XYNOKXJDLYBBKZ-UHFFFAOYSA-N 0 0 309.369 3.092 20 10 DGCDRN C[C@@H](NC(=O)C(=O)c1ccc(Cl)s1)c1ccccc1O ZINC001635794127 1194572499 /nfs/dbraw/zinc/57/24/99/1194572499.db2.gz XGCIRVQLKJITKW-MRVPVSSYSA-N 0 0 309.774 3.167 20 10 DGCDRN C[C@H](NC(=O)c1cccc(C(F)(F)F)c1N)c1ccccc1O ZINC001635803987 1194573251 /nfs/dbraw/zinc/57/32/51/1194573251.db2.gz MKTFCVKXSDFEMH-VIFPVBQESA-N 0 0 324.302 3.484 20 10 DGCDRN C[C@@H](C(=O)NCc1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC001635958860 1194581372 /nfs/dbraw/zinc/58/13/72/1194581372.db2.gz BCEZTVACEAZASN-SNVBAGLBSA-N 0 0 305.761 3.171 20 10 DGCDRN O=C(Nc1cccc(O)c1Br)C1=CC(=O)CS1 ZINC001636029992 1194588441 /nfs/dbraw/zinc/58/84/41/1194588441.db2.gz MMTKSIRCEBGQQF-UHFFFAOYSA-N 0 0 314.160 3.174 20 10 DGCDRN O=C(NCc1ccccc1O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001636058379 1194589927 /nfs/dbraw/zinc/58/99/27/1194589927.db2.gz ZNXFYFUQRIXBEK-LSDHHAIUSA-N 0 0 301.773 3.466 20 10 DGCDRN C[C@@H](Oc1ccccc1Cl)C(=O)N1Cc2cccc(O)c2C1 ZINC001636230453 1194601176 /nfs/dbraw/zinc/60/11/76/1194601176.db2.gz DSOWAPBURPLCDZ-LLVKDONJSA-N 0 0 317.772 3.355 20 10 DGCDRN CN(C(=O)C1=CC(=O)CS1)[C@H](c1ncc[nH]1)c1ccccc1 ZINC001636669450 1194627359 /nfs/dbraw/zinc/62/73/59/1194627359.db2.gz ZJZSXFGXZPYAHA-AWEZNQCLSA-N 0 0 313.382 3.038 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1ccc(F)c(F)c1F ZINC001637227137 1194657828 /nfs/dbraw/zinc/65/78/28/1194657828.db2.gz OZEIZUYJUJVXBV-UHFFFAOYSA-N 0 0 315.678 3.393 20 10 DGCDRN CN(C)c1ccc(C(=O)NCc2cccc(Cl)c2O)cc1F ZINC001637227319 1194658046 /nfs/dbraw/zinc/65/80/46/1194658046.db2.gz WTDMPNWYAOTLAS-UHFFFAOYSA-N 0 0 322.767 3.181 20 10 DGCDRN CCCCC[C@H](O)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001638243613 1194708480 /nfs/dbraw/zinc/70/84/80/1194708480.db2.gz JEJONXBOAZEMRK-YJBOKZPZSA-N 0 0 320.477 3.049 20 10 DGCDRN Cc1ccc(C(C)(C)CNC(=O)c2c(F)ccc(O)c2O)cc1 ZINC001638303951 1194711580 /nfs/dbraw/zinc/71/15/80/1194711580.db2.gz HRQNZJLZVVNDIT-UHFFFAOYSA-N 0 0 317.360 3.253 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)c1ccc2nccnc2n1 ZINC001639227471 1194756098 /nfs/dbraw/zinc/75/60/98/1194756098.db2.gz YAIHUGSSVKROPA-UHFFFAOYSA-N 0 0 319.412 3.261 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H]1CC12CC(O)C2 ZINC001639331859 1194760915 /nfs/dbraw/zinc/76/09/15/1194760915.db2.gz HTLBFKFSSVYEIE-RVSXGSNBSA-N 0 0 324.424 3.046 20 10 DGCDRN Cc1[nH]nc(Cl)c1C(=O)NCc1c(O)ccc2ccccc21 ZINC001639387966 1194762685 /nfs/dbraw/zinc/76/26/85/1194762685.db2.gz TUJYCZJCFPXGQX-UHFFFAOYSA-N 0 0 315.760 3.160 20 10 DGCDRN C[C@H](Cn1ccc2ccccc21)C(=O)NCc1ccc(O)cc1O ZINC001639444417 1194766644 /nfs/dbraw/zinc/76/66/44/1194766644.db2.gz KZTVLBBPAMBTTG-CYBMUJFWSA-N 0 0 324.380 3.005 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)[C@@H]1C[C@H]1c1ccsc1 ZINC001639625135 1194774089 /nfs/dbraw/zinc/77/40/89/1194774089.db2.gz ZCTFRADGKQNKGM-LSDHHAIUSA-N 0 0 324.405 3.422 20 10 DGCDRN COc1ccc(N(C)CCN(C)c2nc(C(C)C)ns2)cc1 ZINC001640117657 1194797345 /nfs/dbraw/zinc/79/73/45/1194797345.db2.gz YHSKVZHFVHXYOC-UHFFFAOYSA-N 0 0 320.462 3.243 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Cc2c[nH]c3ccc(F)cc23)c1 ZINC001640796755 1194828101 /nfs/dbraw/zinc/82/81/01/1194828101.db2.gz NUMFEGCLBQSDGR-UHFFFAOYSA-N 0 0 312.344 3.180 20 10 DGCDRN C[C@@H]1Cc2cc(Cl)ccc2N1C(=O)Cc1ccc(O)c(O)c1 ZINC001640839885 1194830268 /nfs/dbraw/zinc/83/02/68/1194830268.db2.gz SZLTYWYFASGKPC-SNVBAGLBSA-N 0 0 317.772 3.272 20 10 DGCDRN COc1cc(C)ccc1C(=O)NCc1cc(Cl)ccc1O ZINC001640920329 1194832984 /nfs/dbraw/zinc/83/29/84/1194832984.db2.gz OMCGDOZDVJYCHV-UHFFFAOYSA-N 0 0 305.761 3.293 20 10 DGCDRN COC(=O)c1cnc(SCc2cc(-c3ccco3)on2)s1 ZINC001641152079 1194841983 /nfs/dbraw/zinc/84/19/83/1194841983.db2.gz QUJFFLGWGQNQJK-UHFFFAOYSA-N 0 0 322.367 3.470 20 10 DGCDRN COC(=O)c1cc(OCc2cccnc2Cl)ccc1N(C)C ZINC001641365341 1194850381 /nfs/dbraw/zinc/85/03/81/1194850381.db2.gz JOIXFUKPZQJFIK-UHFFFAOYSA-N 0 0 320.776 3.167 20 10 DGCDRN Cc1ccc2[nH]c(NC(=O)c3ccc(N=NC(N)=O)cc3)nc2c1 ZINC001641548727 1194859673 /nfs/dbraw/zinc/85/96/73/1194859673.db2.gz AVOCWVYDVBAOAN-UHFFFAOYSA-N 0 0 322.328 3.286 20 10 DGCDRN COc1cc(N(C)C[C@@H]2CCCC(C)(C)O2)cc(OC)c1OC ZINC001641778498 1194870924 /nfs/dbraw/zinc/87/09/24/1194870924.db2.gz LYDUQZXAYFIROG-AWEZNQCLSA-N 0 0 323.433 3.496 20 10 DGCDRN CN(C[C@H]1CCC[C@@H](C(F)(F)F)O1)c1ccc2c(c1)OCO2 ZINC001642299631 1194900238 /nfs/dbraw/zinc/90/02/38/1194900238.db2.gz ARXSNTWEBRRQRO-RISCZKNCSA-N 0 0 317.307 3.352 20 10 DGCDRN COc1ccc(CNc2nc3ccccc3n3cncc23)c(O)c1 ZINC001642619040 1194923921 /nfs/dbraw/zinc/92/39/21/1194923921.db2.gz ORKMJWDGIWNNOC-UHFFFAOYSA-N 0 0 320.352 3.209 20 10 DGCDRN CCOC(=O)c1cnc(Sc2ccc3n[nH]cc3c2)s1 ZINC001642789689 1194938662 /nfs/dbraw/zinc/93/86/62/1194938662.db2.gz RVZYPRPZZMWMJE-UHFFFAOYSA-N 0 0 305.384 3.347 20 10 DGCDRN CC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccn1 ZINC001643150761 1194998958 /nfs/dbraw/zinc/99/89/58/1194998958.db2.gz RRKZBWUJKKLJCP-CYBMUJFWSA-N 0 0 311.345 3.125 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc(CO)ccn2)cc1 ZINC001643259144 1195009720 /nfs/dbraw/zinc/00/97/20/1195009720.db2.gz MOVDFKHESBPAKT-UHFFFAOYSA-N 0 0 321.380 3.234 20 10 DGCDRN CCO[C@H]1C[C@@H]1C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001643366523 1195018708 /nfs/dbraw/zinc/01/87/08/1195018708.db2.gz PNILOUQHUWHMSQ-ROUUACIJSA-N 0 0 312.413 3.135 20 10 DGCDRN Cc1ccc(C2(C(=O)NCc3cc(O)ccc3O)CCC2)cc1 ZINC001643881899 1195060050 /nfs/dbraw/zinc/06/00/50/1195060050.db2.gz JOSYZHHKHOCGQZ-UHFFFAOYSA-N 0 0 311.381 3.144 20 10 DGCDRN Cc1cnc(Cl)c(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC001644590671 1195119009 /nfs/dbraw/zinc/11/90/09/1195119009.db2.gz JYZHLVUVILLNHZ-UHFFFAOYSA-N 0 0 311.168 3.332 20 10 DGCDRN C/C(=C/c1ccc(Cl)cc1)C(=O)NCc1cc(O)ccc1O ZINC001644753799 1195131867 /nfs/dbraw/zinc/13/18/67/1195131867.db2.gz KCYJJPIVTRKUOY-FLIBITNWSA-N 0 0 317.772 3.471 20 10 DGCDRN Cc1ccc2[nH]c(C(=O)NCc3cc(O)ccc3O)cc2c1C ZINC001644753539 1195132043 /nfs/dbraw/zinc/13/20/43/1195132043.db2.gz CQFWSHWDLSHHNE-UHFFFAOYSA-N 0 0 310.353 3.126 20 10 DGCDRN COC(=O)C1(NCc2ccc(N(C)C)c(C)c2)CCCCCC1 ZINC001645177752 1195163544 /nfs/dbraw/zinc/16/35/44/1195163544.db2.gz DOXXAKJTWALMNT-UHFFFAOYSA-N 0 0 318.461 3.417 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1ccc(Cl)c2occc21 ZINC001645366258 1195178567 /nfs/dbraw/zinc/17/85/67/1195178567.db2.gz MZFGTCAZSQNSPR-UHFFFAOYSA-N 0 0 317.728 3.427 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)[C@@H]1C[C@H]1C(F)(F)F ZINC001645440579 1195183611 /nfs/dbraw/zinc/18/36/11/1195183611.db2.gz JXCYRWUFLRJLQN-DGCLKSJQSA-N 0 0 309.287 3.360 20 10 DGCDRN CC1(C)C[C@H](C(=O)NCc2c(O)ccc3ccccc32)CCO1 ZINC001645442840 1195184372 /nfs/dbraw/zinc/18/43/72/1195184372.db2.gz AVLUYRRNOFJGGD-CQSZACIVSA-N 0 0 313.397 3.367 20 10 DGCDRN CC[C@@H](CCc1ccccc1)NC(=O)Cc1ccc(O)c(O)c1 ZINC001645459279 1195185559 /nfs/dbraw/zinc/18/55/59/1195185559.db2.gz QNQUVTLZVFZBOB-INIZCTEOSA-N 0 0 313.397 3.168 20 10 DGCDRN Cc1cc(Br)oc1C(=O)NCc1cc(C)ccc1O ZINC001645800616 1195201626 /nfs/dbraw/zinc/20/16/26/1195201626.db2.gz MRKBITBNWWXTJA-UHFFFAOYSA-N 0 0 324.174 3.295 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)COc2ccc(F)cc2Cl)c1 ZINC001645800376 1195201930 /nfs/dbraw/zinc/20/19/30/1195201930.db2.gz DXIHTNNKUJPMRB-UHFFFAOYSA-N 0 0 323.751 3.188 20 10 DGCDRN O=C(/C=C/c1ccnc2ccccc12)NCc1c(O)cccc1F ZINC001646034142 1195211486 /nfs/dbraw/zinc/21/14/86/1195211486.db2.gz ICEHRNHZBMDHAE-CMDGGOBGSA-N 0 0 322.339 3.409 20 10 DGCDRN O=C(CCCOc1cccc(F)c1)NCc1c(O)cccc1F ZINC001646034944 1195211635 /nfs/dbraw/zinc/21/16/35/1195211635.db2.gz OSSKLTUANAWPIS-UHFFFAOYSA-N 0 0 321.323 3.146 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)[C@H]1CSCCS1 ZINC001647791279 1195253052 /nfs/dbraw/zinc/25/30/52/1195253052.db2.gz MXMSYDOYPCPGLX-OAHLLOKOSA-N 0 0 319.451 3.010 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1ccc2c(c1)OCO2 ZINC001647788536 1195253105 /nfs/dbraw/zinc/25/31/05/1195253105.db2.gz IQFUEQRAWAIXQF-UHFFFAOYSA-N 0 0 321.332 3.204 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2cnoc2C)cc1 ZINC001647835082 1195257952 /nfs/dbraw/zinc/25/79/52/1195257952.db2.gz XPVHWYBOASJWCE-UHFFFAOYSA-N 0 0 309.369 3.321 20 10 DGCDRN Cc1cc(CNC(=O)c2ncc[nH]2)c(C)n1-c1cccc(C)c1 ZINC001648611729 1195314025 /nfs/dbraw/zinc/31/40/25/1195314025.db2.gz NKMJJTKHVRHDJV-UHFFFAOYSA-N 0 0 308.385 3.056 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCc1ccc2occc2c1 ZINC001649424004 1195335351 /nfs/dbraw/zinc/33/53/51/1195335351.db2.gz MBSHWINYQUDHTL-UHFFFAOYSA-N 0 0 310.353 3.480 20 10 DGCDRN COc1cc(F)c(CNc2ccc3c(c2)ncn3C)cc1OC ZINC001650706362 1195373849 /nfs/dbraw/zinc/37/38/49/1195373849.db2.gz LPIWMMHEWWXAEI-UHFFFAOYSA-N 0 0 315.348 3.342 20 10 DGCDRN O=C(NCc1cccc2ccccc21)c1c(F)ccc(O)c1O ZINC001650789303 1195382862 /nfs/dbraw/zinc/38/28/62/1195382862.db2.gz SLRBVIMGIHRTMS-UHFFFAOYSA-N 0 0 311.312 3.320 20 10 DGCDRN O=C(Nc1cc(F)ccn1)c1cc2cc(O)c(O)cc2s1 ZINC001651137496 1195418972 /nfs/dbraw/zinc/41/89/72/1195418972.db2.gz RGHKJQORXMBYQU-UHFFFAOYSA-N 0 0 304.302 3.099 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1ccc(Cl)cc1Cl ZINC001651223188 1195427809 /nfs/dbraw/zinc/42/78/09/1195427809.db2.gz YSGUAQJNIFESJQ-UHFFFAOYSA-N 0 0 312.152 3.335 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1ccc(SC2CC2)cc1 ZINC001651225413 1195428798 /nfs/dbraw/zinc/42/87/98/1195428798.db2.gz IOFAELWAMIYWTB-UHFFFAOYSA-N 0 0 315.394 3.282 20 10 DGCDRN O=C(/C=C/c1ccc(Cl)cc1)NCc1cc(O)ccc1O ZINC001651225453 1195429464 /nfs/dbraw/zinc/42/94/64/1195429464.db2.gz JZBVBPJCXULWRV-FPYGCLRLSA-N 0 0 303.745 3.081 20 10 DGCDRN CSc1nc2ncnc(NCc3cc(C)ccc3O)c2s1 ZINC001651258121 1195433696 /nfs/dbraw/zinc/43/36/96/1195433696.db2.gz AOLZZKJENOQADT-UHFFFAOYSA-N 0 0 318.427 3.434 20 10 DGCDRN O=C(NCc1ccc(C(F)(F)F)s1)c1cccc(O)c1O ZINC001651304844 1195440549 /nfs/dbraw/zinc/44/05/49/1195440549.db2.gz QPEPZVAEAUENFU-UHFFFAOYSA-N 0 0 317.288 3.108 20 10 DGCDRN CN(C)c1cc(F)c(CNc2cnc3[nH]ccc3c2)cc1F ZINC001651558445 1195479705 /nfs/dbraw/zinc/47/97/05/1195479705.db2.gz OMDJLPHZRAJWKB-UHFFFAOYSA-N 0 0 302.328 3.471 20 10 DGCDRN COC(=O)c1cnc(Sc2ccsc2[N+](=O)[O-])s1 ZINC001651884241 1195520055 /nfs/dbraw/zinc/52/00/55/1195520055.db2.gz OWYLDWKWSUFSJH-UHFFFAOYSA-N 0 0 302.358 3.051 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CC[C@@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001651967122 1195529564 /nfs/dbraw/zinc/52/95/64/1195529564.db2.gz QVFGSKWQIMNKQU-WFMXKNRHSA-N 0 0 318.373 3.406 20 10 DGCDRN CCOC(=O)[C@H](CC)N(Cc1cccc(CC)c1O)C1CC1 ZINC001652238313 1195567519 /nfs/dbraw/zinc/56/75/19/1195567519.db2.gz ITZJZISECJAKJZ-INIZCTEOSA-N 0 0 305.418 3.261 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cnc2ccsc2c1 ZINC001652299075 1195577758 /nfs/dbraw/zinc/57/77/58/1195577758.db2.gz ZXLNVMXAQJICTK-UHFFFAOYSA-N 0 0 302.330 3.071 20 10 DGCDRN C[C@H](CC(=O)NCc1c(O)cccc1O)c1cccc(F)c1 ZINC001652626126 1195629027 /nfs/dbraw/zinc/62/90/27/1195629027.db2.gz QGWBWCSIPRXPHP-LLVKDONJSA-N 0 0 303.333 3.047 20 10 DGCDRN COc1ccc(N(C)Cc2cn(-c3ccccc3C)nn2)cc1 ZINC001652773682 1195651273 /nfs/dbraw/zinc/65/12/73/1195651273.db2.gz QBRVBMYQVBLHGA-UHFFFAOYSA-N 0 0 308.385 3.221 20 10 DGCDRN COc1nscc1CN(C)Cc1cc(Cl)c(C)cc1O ZINC001653155989 1195693215 /nfs/dbraw/zinc/69/32/15/1195693215.db2.gz SIQRIPIBPKDGIA-UHFFFAOYSA-N 0 0 312.822 3.451 20 10 DGCDRN COc1nscc1CN(C)C/C=C\c1ccc(N(C)C)cc1 ZINC001653155743 1195693261 /nfs/dbraw/zinc/69/32/61/1195693261.db2.gz NGYXREPSKLPSEM-WAYWQWQTSA-N 0 0 317.458 3.363 20 10 DGCDRN COC(=O)COc1ccc(N(C)Cc2cc(C)cc(C)c2)cc1 ZINC001653258873 1195705059 /nfs/dbraw/zinc/70/50/59/1195705059.db2.gz OBPQSQGOPAPRCW-UHFFFAOYSA-N 0 0 313.397 3.492 20 10 DGCDRN CCNc1nc(CN[C@H](C)c2ccc(N(C)C)cc2)cs1 ZINC001653343286 1195712057 /nfs/dbraw/zinc/71/20/57/1195712057.db2.gz QXRIVHBZOAJKDD-GFCCVEGCSA-N 0 0 304.463 3.492 20 10 DGCDRN O=C(CCNc1ccccc1)NCc1cccc(Cl)c1O ZINC001653563867 1195734326 /nfs/dbraw/zinc/73/43/26/1195734326.db2.gz QLATYMIVHVUNQX-UHFFFAOYSA-N 0 0 304.777 3.164 20 10 DGCDRN CCN(CCOc1ccc2c(c1)OCO2)c1ccc(OC)cc1 ZINC001653661627 1195742128 /nfs/dbraw/zinc/74/21/28/1195742128.db2.gz RHPRQUJNEKFVDO-UHFFFAOYSA-N 0 0 315.369 3.329 20 10 DGCDRN COc1cccc(CN2CCOc3cc(N(C)C)ccc32)c1C ZINC001654011240 1195767029 /nfs/dbraw/zinc/76/70/29/1195767029.db2.gz LCSDMVJUYIFGPB-UHFFFAOYSA-N 0 0 312.413 3.469 20 10 DGCDRN CCOC(=O)c1cnc(Sc2ccc(C(=O)OC)cc2)s1 ZINC001654942623 1195857024 /nfs/dbraw/zinc/85/70/24/1195857024.db2.gz UMJSSTXCUYNNSW-UHFFFAOYSA-N 0 0 323.395 3.258 20 10 DGCDRN CCN(C)c1ccccc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001655536672 1195929173 /nfs/dbraw/zinc/92/91/73/1195929173.db2.gz LZIQXVGXHAUGIQ-UHFFFAOYSA-N 0 0 315.373 3.046 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1ncnc2c1CCC2 ZINC001655579668 1195935379 /nfs/dbraw/zinc/93/53/79/1195935379.db2.gz VWIOQLDLFGOOKK-CQSZACIVSA-N 0 0 310.445 3.383 20 10 DGCDRN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C12CCCC2 ZINC001655737097 1195958506 /nfs/dbraw/zinc/95/85/06/1195958506.db2.gz ADJFTCYOPKCLNC-HUUCEWRRSA-N 0 0 311.372 3.498 20 10 DGCDRN Cc1cc(CNc2nccn3cnnc23)c(C)n1-c1ccccc1 ZINC001655750117 1195959848 /nfs/dbraw/zinc/95/98/48/1195959848.db2.gz FMUHMHJTAOEHRV-UHFFFAOYSA-N 0 0 318.384 3.144 20 10 DGCDRN CC(C)[C@@H](CO)[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C(C)C ZINC001656291408 1196027043 /nfs/dbraw/zinc/02/70/43/1196027043.db2.gz DLXDRLDMQZDIRH-UKRRQHHQSA-N 0 0 301.377 3.049 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCc1ccc(CO)cc1 ZINC001657015085 1196093267 /nfs/dbraw/zinc/09/32/67/1196093267.db2.gz KBVCZCSAJBWWRT-UHFFFAOYSA-N 0 0 309.768 3.009 20 10 DGCDRN CC(C)c1nn(C)c(Cl)c1CNCc1ccc2c(c1)CCO2 ZINC001657031348 1196094816 /nfs/dbraw/zinc/09/48/16/1196094816.db2.gz YBOTYEVAXGGPRJ-UHFFFAOYSA-N 0 0 319.836 3.422 20 10 DGCDRN Oc1cccc(Br)c1CNc1cccc2c1OCO2 ZINC001657152572 1196111207 /nfs/dbraw/zinc/11/12/07/1196111207.db2.gz HLXXBHTVHGGAST-UHFFFAOYSA-N 0 0 322.158 3.496 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC001657219155 1196119281 /nfs/dbraw/zinc/11/92/81/1196119281.db2.gz NDOBJEYFOFEOLA-UHFFFAOYSA-N 0 0 315.323 3.146 20 10 DGCDRN COC[C@@H]([NH2+]Cc1cc(C)cc(Br)c1[O-])C(C)C ZINC001657247955 1196123851 /nfs/dbraw/zinc/12/38/51/1196123851.db2.gz UAZNPJCUAOUPQN-CYBMUJFWSA-N 0 0 316.239 3.224 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC001657488137 1196147960 /nfs/dbraw/zinc/14/79/60/1196147960.db2.gz SXEUPMFTQYGDKB-NSHDSACASA-N 0 0 321.783 3.354 20 10 DGCDRN CCOC(=O)C1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCC1 ZINC001657523443 1196151173 /nfs/dbraw/zinc/15/11/73/1196151173.db2.gz YABLJNNZURMXGY-UHFFFAOYSA-N 0 0 315.772 3.008 20 10 DGCDRN CCOC(=O)c1ccc(CN(C)c2ccc(OC)c(Cl)c2)[nH]1 ZINC001657721208 1196171977 /nfs/dbraw/zinc/17/19/77/1196171977.db2.gz ZMJAHKYWLPMTGL-UHFFFAOYSA-N 0 0 322.792 3.490 20 10 DGCDRN COC(=O)COc1ccc(N(C)Cc2ccc3[nH]ccc3c2)cc1 ZINC001657750815 1196174360 /nfs/dbraw/zinc/17/43/60/1196174360.db2.gz ZGAWWUXFUWVDHY-UHFFFAOYSA-N 0 0 324.380 3.356 20 10 DGCDRN COc1cc(C)cc(CN2CCOc3cc(F)ccc32)c1O ZINC001657812136 1196180521 /nfs/dbraw/zinc/18/05/21/1196180521.db2.gz AUBAPGIOVXXEBX-UHFFFAOYSA-N 0 0 303.333 3.247 20 10 DGCDRN COc1cc(C)cc(CN[C@@H](CC(C)C)C(=O)OC(C)C)c1O ZINC001657838598 1196182785 /nfs/dbraw/zinc/18/27/85/1196182785.db2.gz UJYSQMMQUQESFV-HNNXBMFYSA-N 0 0 323.433 3.165 20 10 DGCDRN COC(=O)[C@@H]1C[C@@H](C)CCN1C/C=C\c1ccc(N(C)C)cc1 ZINC001657859373 1196186467 /nfs/dbraw/zinc/18/64/67/1196186467.db2.gz ASGUKLQPTBOAAT-YMTSHVIYSA-N 0 0 316.445 3.039 20 10 DGCDRN COc1cc(C)c(CN2CCOc3cccc(F)c3C2)c(O)c1 ZINC001657898213 1196191497 /nfs/dbraw/zinc/19/14/97/1196191497.db2.gz ZOAPUGFQIZXMIW-UHFFFAOYSA-N 0 0 317.360 3.243 20 10 DGCDRN CC[C@H]1C[N@H+](CC)CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC001658102535 1196212272 /nfs/dbraw/zinc/21/22/72/1196212272.db2.gz PYLSEPXRIUNEJS-ZDUSSCGKSA-N 0 0 300.805 3.101 20 10 DGCDRN Cc1c(NCc2cc(F)c(F)cc2O)cnn1C1CCOCC1 ZINC001658181655 1196222562 /nfs/dbraw/zinc/22/25/62/1196222562.db2.gz DTPAREDMUMWSNF-UHFFFAOYSA-N 0 0 323.343 3.139 20 10 DGCDRN COC(=O)c1c(CN2CCC[C@@H](F)C2)c2cc(F)ccc2n1C ZINC001658499511 1196265596 /nfs/dbraw/zinc/26/55/96/1196265596.db2.gz QCZWWACJRKPYRE-GFCCVEGCSA-N 0 0 322.355 3.038 20 10 DGCDRN COC(=O)c1c(CN2CCC[C@H](F)C2)c2cc(F)ccc2n1C ZINC001658499512 1196265828 /nfs/dbraw/zinc/26/58/28/1196265828.db2.gz QCZWWACJRKPYRE-LBPRGKRZSA-N 0 0 322.355 3.038 20 10 DGCDRN C[C@H](CN1CCC(C)CC1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC001658550635 1196273983 /nfs/dbraw/zinc/27/39/83/1196273983.db2.gz VDAQJOSZEVGOCX-GFCCVEGCSA-N 0 0 314.832 3.395 20 10 DGCDRN Oc1cc(Cl)ccc1CN1CCO[C@H](CC(F)(F)F)C1 ZINC001658598285 1196278551 /nfs/dbraw/zinc/27/85/51/1196278551.db2.gz FPJVNPAGVIARCR-LLVKDONJSA-N 0 0 309.715 3.199 20 10 DGCDRN C[C@@H](COCC1CCCCC1)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001658644192 1196284791 /nfs/dbraw/zinc/28/47/91/1196284791.db2.gz MUHRGYUQKFAXGP-ZDUSSCGKSA-N 0 0 322.405 3.375 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1CCO[C@@](C)(C(F)(F)F)C1 ZINC001658751244 1196296120 /nfs/dbraw/zinc/29/61/20/1196296120.db2.gz CNSQZAUCCZDFPR-OAHLLOKOSA-N 0 0 316.367 3.214 20 10 DGCDRN COc1ccc(N(C)Cc2cc3c(cc[nH]c3=O)o2)cc1F ZINC001658807516 1196303311 /nfs/dbraw/zinc/30/33/11/1196303311.db2.gz PSVVUXYDNQJUMZ-UHFFFAOYSA-N 0 0 302.305 3.318 20 10 DGCDRN Cc1ccc([C@H]2COCCN2Cc2cc(F)c(F)cc2O)o1 ZINC001658895128 1196316032 /nfs/dbraw/zinc/31/60/32/1196316032.db2.gz NGUWOUAHPZUDMP-CQSZACIVSA-N 0 0 309.312 3.145 20 10 DGCDRN CCCN1CCN(Cc2cc(Cl)c(C)cc2O)C(C)(C)C1=O ZINC001658946726 1196324003 /nfs/dbraw/zinc/32/40/03/1196324003.db2.gz XATXFIMICKPALL-UHFFFAOYSA-N 0 0 324.852 3.187 20 10 DGCDRN CN(Cc1c(Cl)cnn1C)Cc1ccc(N2CCCC2)cc1 ZINC001659141497 1196351222 /nfs/dbraw/zinc/35/12/22/1196351222.db2.gz BBGMVOVVELHZQE-UHFFFAOYSA-N 0 0 318.852 3.306 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1cc(OC)cnc1F ZINC001659382468 1196377828 /nfs/dbraw/zinc/37/78/28/1196377828.db2.gz FUEBFMKTANVTOF-UHFFFAOYSA-N 0 0 302.349 3.191 20 10 DGCDRN COC(=O)[C@H](C)c1cccc(NCc2cc(F)ccc2O)c1 ZINC001659445212 1196383597 /nfs/dbraw/zinc/38/35/97/1196383597.db2.gz WAQMBSQRKPYXSY-LLVKDONJSA-N 0 0 303.333 3.420 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]C[C@H]1CSc2ccccc2O1 ZINC001659535355 1196393056 /nfs/dbraw/zinc/39/30/56/1196393056.db2.gz UKSIKBUYXNMBBJ-NSHDSACASA-N 0 0 323.364 3.313 20 10 DGCDRN COc1ccc(N(C)Cc2cc(-c3ccccn3)n[nH]2)cc1OC ZINC001659543181 1196393488 /nfs/dbraw/zinc/39/34/88/1196393488.db2.gz YCORJDOCCAXSPU-UHFFFAOYSA-N 0 0 324.384 3.125 20 10 DGCDRN [O-]c1c(F)cccc1C[NH2+][C@H]1CCc2ccccc2-n2ccnc21 ZINC001659697430 1196406549 /nfs/dbraw/zinc/40/65/49/1196406549.db2.gz NOGRCEVZNZSOOH-INIZCTEOSA-N 0 0 323.371 3.494 20 10 DGCDRN Cc1cccc2c1C[C@@H]([NH2+]Cc1cc(F)c(F)cc1[O-])CO2 ZINC001659710073 1196408025 /nfs/dbraw/zinc/40/80/25/1196408025.db2.gz HHCKPENVKZUKRW-GFCCVEGCSA-N 0 0 305.324 3.072 20 10 DGCDRN [O-]c1c(F)cccc1C[NH2+]C[C@@H]1CCN1C1CCCCCC1 ZINC001659859131 1196421953 /nfs/dbraw/zinc/42/19/53/1196421953.db2.gz OWQRFMFGCGEZCB-INIZCTEOSA-N 0 0 306.425 3.418 20 10 DGCDRN CCOC(OCC)[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC001660274750 1196465216 /nfs/dbraw/zinc/46/52/16/1196465216.db2.gz DABWZNFFMQEOJX-VIFPVBQESA-N 0 0 305.777 3.062 20 10 DGCDRN CC1CCC(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC001660450514 1196485421 /nfs/dbraw/zinc/48/54/21/1196485421.db2.gz ATNMDJXJTNOUIQ-UHFFFAOYSA-N 0 0 324.490 3.093 20 10 DGCDRN CN1Cc2ccccc2[C@H]1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC001660517204 1196493566 /nfs/dbraw/zinc/49/35/66/1196493566.db2.gz SHPJUHGEGNQXLR-MRXNPFEDSA-N 0 0 320.795 3.461 20 10 DGCDRN C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])Oc1ccccc1F ZINC001661571706 1196620733 /nfs/dbraw/zinc/62/07/33/1196620733.db2.gz AVYJYKFHMAXVBR-JTQLQIEISA-N 0 0 311.303 3.367 20 10 DGCDRN C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])Cc1cccs1 ZINC001661607939 1196623699 /nfs/dbraw/zinc/62/36/99/1196623699.db2.gz SOIHUAXQRIRRQD-LLVKDONJSA-N 0 0 306.387 3.330 20 10 DGCDRN COc1ccc(CN[C@@H](c2nccn2C)C(F)(F)F)cc1C ZINC001663504124 1196888770 /nfs/dbraw/zinc/88/87/70/1196888770.db2.gz GHUZHBCTFBIINR-ZDUSSCGKSA-N 0 0 313.323 3.130 20 10 DGCDRN CCOC(=O)CN(C/C=C\c1ccc(N(C)C)cc1)C(C)C ZINC001663855277 1196951507 /nfs/dbraw/zinc/95/15/07/1196951507.db2.gz OTXFEVOLOYVPER-FPLPWBNLSA-N 0 0 304.434 3.039 20 10 DGCDRN Oc1cc(Br)ccc1CNc1cccc2c1OCO2 ZINC001664269539 1196985233 /nfs/dbraw/zinc/98/52/33/1196985233.db2.gz CNTJBLCZRIVTJV-UHFFFAOYSA-N 0 0 322.158 3.496 20 10 DGCDRN C[N@@H+](Cc1cc(F)c(F)cc1[O-])C[C@@H]1OCCc2ccccc21 ZINC001664776364 1197056478 /nfs/dbraw/zinc/05/64/78/1197056478.db2.gz VUOREOLTJYVVNV-SFHVURJKSA-N 0 0 319.351 3.416 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1C[C@H](CO)Cc2ccccc21 ZINC001664857355 1197070094 /nfs/dbraw/zinc/07/00/94/1197070094.db2.gz JGCDVFLZMFLKQD-MRXNPFEDSA-N 0 0 310.441 3.232 20 10 DGCDRN COc1nc(C)cc(C)c1C[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC001665341398 1197125103 /nfs/dbraw/zinc/12/51/03/1197125103.db2.gz ZXGWKOGIIKSDOZ-UHFFFAOYSA-N 0 0 322.355 3.323 20 10 DGCDRN COCCn1c2ccccc2nc1NCc1cc(F)ccc1O ZINC001665885857 1197211368 /nfs/dbraw/zinc/21/13/68/1197211368.db2.gz HUGJKZUKVNEHBD-UHFFFAOYSA-N 0 0 315.348 3.140 20 10 DGCDRN Cc1c(Cl)nccc1NC(=O)NCc1c(O)cccc1F ZINC001672035510 1197590594 /nfs/dbraw/zinc/59/05/94/1197590594.db2.gz FTORAMHGVWYLNT-UHFFFAOYSA-N 0 0 309.728 3.210 20 10 DGCDRN COc1ccc(C)cc1NC(=O)NCc1cc(C)ccc1O ZINC001672965015 1197631757 /nfs/dbraw/zinc/63/17/57/1197631757.db2.gz OIBJQEIUOUYBQT-UHFFFAOYSA-N 0 0 300.358 3.339 20 10 DGCDRN CSc1cccnc1NC(=O)N[C@H](C)c1ccccc1O ZINC001673342848 1197650207 /nfs/dbraw/zinc/65/02/07/1197650207.db2.gz PMRDFPRJYQYFOI-SNVBAGLBSA-N 0 0 303.387 3.392 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@H](C)[C@@H](C)C1 ZINC001673745066 1197689628 /nfs/dbraw/zinc/68/96/28/1197689628.db2.gz RAWAGXTUISJNRZ-JYJNAYRXSA-N 0 0 317.477 3.289 20 10 DGCDRN c1cnn(-c2ncccc2NCc2ccc(N3CCCC3)cc2)c1 ZINC000324410410 1197693125 /nfs/dbraw/zinc/69/31/25/1197693125.db2.gz VRHCAMRQDKDPMB-UHFFFAOYSA-N 0 0 319.412 3.480 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)C[C@H]2CNc3ccccc32)cc1 ZINC000325217871 1197694733 /nfs/dbraw/zinc/69/47/33/1197694733.db2.gz NRUJUJSKHXSVPK-INIZCTEOSA-N 0 0 323.440 3.310 20 10 DGCDRN C[C@@H](NC(=O)NCc1cc(Cl)ccc1O)c1cccnc1 ZINC001674380962 1197766603 /nfs/dbraw/zinc/76/66/03/1197766603.db2.gz CBPVUIZPFRTATJ-SNVBAGLBSA-N 0 0 305.765 3.001 20 10 DGCDRN CC[C@@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(F)(F)F ZINC001675679153 1198115534 /nfs/dbraw/zinc/11/55/34/1198115534.db2.gz WBCBAVCKGRTBAH-ZWNOBZJWSA-N 0 0 317.355 3.454 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCC2=CCCCC2)cc1F ZINC001676247242 1198260788 /nfs/dbraw/zinc/26/07/88/1198260788.db2.gz LPCJZVGDQGDKDR-UHFFFAOYSA-N 0 0 305.397 3.191 20 10 DGCDRN O=C(NCc1ccc(-c2cnco2)cc1)NCc1ccccc1O ZINC001676548573 1198346009 /nfs/dbraw/zinc/34/60/09/1198346009.db2.gz BXVGBVJZEVBPNU-UHFFFAOYSA-N 0 0 323.352 3.047 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@]12C[C@@H]1CCCC2 ZINC001677377127 1198525969 /nfs/dbraw/zinc/52/59/69/1198525969.db2.gz BJBSMCHHNJWIHE-QFBILLFUSA-N 0 0 315.461 3.441 20 10 DGCDRN C[C@@H](NC(=O)Nc1cc(F)cc(N(C)C)c1)c1ccccc1O ZINC001679023868 1198751735 /nfs/dbraw/zinc/75/17/35/1198751735.db2.gz GEBJBBUFPXBAMT-LLVKDONJSA-N 0 0 317.364 3.480 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cnn2ccccc12 ZINC001679500857 1198800594 /nfs/dbraw/zinc/80/05/94/1198800594.db2.gz RRPDGELHRCFTTG-UHFFFAOYSA-N 0 0 324.384 3.484 20 10 DGCDRN C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)NCc1c(O)cccc1F ZINC001679796953 1198824729 /nfs/dbraw/zinc/82/47/29/1198824729.db2.gz GYNBFAHDCTVRNC-WMZOPIPTSA-N 0 0 314.360 3.061 20 10 DGCDRN C[C@@]1(c2ccccc2)C[C@H]1NC(=O)NCc1c(O)cccc1F ZINC001679796949 1198825004 /nfs/dbraw/zinc/82/50/04/1198825004.db2.gz GYNBFAHDCTVRNC-AEFFLSMTSA-N 0 0 314.360 3.061 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H]1C=CCCC1 ZINC001680385874 1198875736 /nfs/dbraw/zinc/87/57/36/1198875736.db2.gz XRYPHLQDDKIDTG-NVXWUHKLSA-N 0 0 315.461 3.400 20 10 DGCDRN CC[C@@H]1CCN(C(=O)NCCCSc2nccs2)[C@@H]1C ZINC001680425357 1198879368 /nfs/dbraw/zinc/87/93/68/1198879368.db2.gz XXNJJVXJSIEJHJ-VXGBXAGGSA-N 0 0 313.492 3.455 20 10 DGCDRN CCC1(CC)[C@H](NC(=O)N2Cc3cccc(O)c3C2)C[C@@H]1OC ZINC001680882284 1198921917 /nfs/dbraw/zinc/92/19/17/1198921917.db2.gz KTLGIZXBYZZHOG-CVEARBPZSA-N 0 0 318.417 3.011 20 10 DGCDRN CCC1(CC)[C@H](NC(=O)NCc2cc(C)ccc2O)C[C@H]1OC ZINC001680882768 1198921944 /nfs/dbraw/zinc/92/19/44/1198921944.db2.gz SIAGCMHQFXEBSP-HZPDHXFCSA-N 0 0 320.433 3.094 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H]1CCC1(C)C ZINC001682421457 1199160084 /nfs/dbraw/zinc/16/00/84/1199160084.db2.gz LXFILRKCTKEKIC-PBHICJAKSA-N 0 0 317.477 3.480 20 10 DGCDRN CCC[C@H](CNC(=O)NCc1ccc(N(CC)CC)cc1)OC ZINC001682769362 1199194135 /nfs/dbraw/zinc/19/41/35/1199194135.db2.gz SPXCPEDYQCLUPQ-QGZVFWFLSA-N 0 0 321.465 3.147 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC1CCC1 ZINC001683185464 1199243724 /nfs/dbraw/zinc/24/37/24/1199243724.db2.gz IZHSTOXZKNWRBE-CQSZACIVSA-N 0 0 303.450 3.091 20 10 DGCDRN Cc1cc(CCNC(=O)N2CC=CC2)c(C)n1-c1ccccc1 ZINC001684444409 1199384668 /nfs/dbraw/zinc/38/46/68/1199384668.db2.gz MWIJUGNUOMXTMU-UHFFFAOYSA-N 0 0 309.413 3.218 20 10 DGCDRN Cc1ccc(CCNC(=O)NCc2cccc(Cl)c2O)cc1 ZINC001684498701 1199389360 /nfs/dbraw/zinc/38/93/60/1199389360.db2.gz BSIKXTNJBJSJAU-UHFFFAOYSA-N 0 0 318.804 3.396 20 10 DGCDRN Cc1cc(F)ccc1[C@H](C)NC(=O)NCc1ccccc1O ZINC001685076221 1199441329 /nfs/dbraw/zinc/44/13/29/1199441329.db2.gz DLWRLEZNLWYGMT-LBPRGKRZSA-N 0 0 302.349 3.400 20 10 DGCDRN CC/C=C/CNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001686574020 1199572992 /nfs/dbraw/zinc/57/29/92/1199572992.db2.gz LWSUUBSRYLAGGN-MVGZEHJDSA-N 0 0 303.450 3.257 20 10 DGCDRN CCN(c1nnc(C)n1Cc1ccc(N(C)C)cc1C)C(C)C ZINC001695532616 1201136482 /nfs/dbraw/zinc/13/64/82/1201136482.db2.gz ZAHAKNSJUHKQDQ-UHFFFAOYSA-N 0 0 315.465 3.244 20 10 DGCDRN Cc1cc(NS(=O)(=O)c2cc(F)ccc2C)c(C)cc1O ZINC000235888368 1202605104 /nfs/dbraw/zinc/60/51/04/1202605104.db2.gz KUYMAPPLPDIFOU-UHFFFAOYSA-N 0 0 309.362 3.257 20 10 DGCDRN Cc1cc(O)ccc1NS(=O)(=O)Cc1ccccc1Cl ZINC000242853255 1203577858 /nfs/dbraw/zinc/57/78/58/1203577858.db2.gz GAVMQFGTYYFDAE-UHFFFAOYSA-N 0 0 311.790 3.296 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000242892370 1203578382 /nfs/dbraw/zinc/57/83/82/1203578382.db2.gz GMUCFBCHLRGDSW-UHFFFAOYSA-N 0 0 310.397 3.048 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)C(CC)CC)CC2)cc1 ZINC000244274626 1203610529 /nfs/dbraw/zinc/61/05/29/1203610529.db2.gz WQLIXUSKCDAIAH-UHFFFAOYSA-N 0 0 304.434 3.170 20 10 DGCDRN COc1cc(Cl)cc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)c1O ZINC000076274300 948999575 /nfs/dbraw/zinc/99/95/75/948999575.db2.gz MXPKBDIFHNFENA-UHFFFAOYSA-N 0 0 321.760 3.042 20 10 DGCDRN O=C([O-])[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccc(O)c32)c2ccccc21 ZINC001594900420 954623852 /nfs/dbraw/zinc/62/38/52/954623852.db2.gz OBDKHNXVUHCFJQ-PMPSAXMXSA-N 0 0 309.365 3.282 20 10 DGCDRN Cc1cc(C[NH2+][C@](C)(C(=O)[O-])c2ccccc2)ccc1N(C)C ZINC001605173008 972880858 /nfs/dbraw/zinc/88/08/58/972880858.db2.gz QQTFLZAGJXZUMR-IBGZPJMESA-N 0 0 312.413 3.151 20 10 DGCDRN CC(C)c1ccc(O)c(C[N@H+](CCC(F)(F)F)CC(=O)[O-])c1 ZINC001591974436 976588559 /nfs/dbraw/zinc/58/85/59/976588559.db2.gz XKYQHMSWSLRYAS-UHFFFAOYSA-N 0 0 319.323 3.355 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1)c1cc(C(=O)[O-])ccc1O ZINC001592704998 979166196 /nfs/dbraw/zinc/16/61/96/979166196.db2.gz BZNJGBPRIOZUCO-QWHCGFSZSA-N 0 0 315.369 3.209 20 10 DGCDRN C[C@H](C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O)Oc1ccccc1 ZINC001592704996 979166244 /nfs/dbraw/zinc/16/62/44/979166244.db2.gz BZNJGBPRIOZUCO-CHWSQXEVSA-N 0 0 315.369 3.209 20 10 DGCDRN CC[C@](C[NH2+]Cc1ccc(C)cc1O)(C(=O)[O-])c1ccccc1 ZINC001595167994 979726137 /nfs/dbraw/zinc/72/61/37/979726137.db2.gz JIHWXPUSEGNIDH-LJQANCHMSA-N 0 0 313.397 3.223 20 10 DGCDRN CCN(C)c1ccc(C[NH2+][C@@]2(C(=O)[O-])CC[C@H](C)CC2)cc1 ZINC001596197923 983582940 /nfs/dbraw/zinc/58/29/40/983582940.db2.gz UDWDMAVDBZTBPP-PPUGGXLSSA-N 0 0 304.434 3.266 20 10 DGCDRN CCN(CC)c1ccc(C[N@H+](C)CCC(C)(C)C(=O)[O-])cc1 ZINC001596288994 983708933 /nfs/dbraw/zinc/70/89/33/983708933.db2.gz AUHRWYAOXSVNFW-UHFFFAOYSA-N 0 0 306.450 3.466 20 10 DGCDRN C[C@@H](C(=O)[O-])[N@H+](C/C=C/c1ccc(N(C)C)cc1)C1CCC1 ZINC001589485671 987018068 /nfs/dbraw/zinc/01/80/68/987018068.db2.gz BJZDHHDQLDTBPS-GJBLVYBDSA-N 0 0 302.418 3.093 20 10 DGCDRN CCc1cnc(CC[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)s1 ZINC001597627060 988580714 /nfs/dbraw/zinc/58/07/14/988580714.db2.gz ANTAMDHOYCBMJO-SNVBAGLBSA-N 0 0 320.414 3.003 20 10 DGCDRN COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C(=O)[O-])c2ccccc2C)c1 ZINC001599598816 993785830 /nfs/dbraw/zinc/78/58/30/993785830.db2.gz UOGDYZXQZPFCMF-SJKOYZFVSA-N 0 0 315.369 3.186 20 10 DGCDRN C[C@@H]([NH2+]CC(C)(C)C1(O)CCCC1)c1cc(C(=O)[O-])ccc1O ZINC001593239923 994425791 /nfs/dbraw/zinc/42/57/91/994425791.db2.gz IJGUJVIWNLWLHI-GFCCVEGCSA-N 0 0 321.417 3.072 20 10 DGCDRN C[C@@H]([NH2+]CC(C)(C)CC(F)F)c1cc(C(=O)[O-])ccc1O ZINC001593241173 994436139 /nfs/dbraw/zinc/43/61/39/994436139.db2.gz WMPJWHNSPUYXLP-SECBINFHSA-N 0 0 301.333 3.422 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(Cl)cc1O)c1ncc(C(=O)[O-])s1 ZINC001593300067 994727995 /nfs/dbraw/zinc/72/79/95/994727995.db2.gz ZOKWXCYTRKHSBO-SSDOTTSWSA-N 0 0 312.778 3.051 20 10 DGCDRN C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1[NH2+]CCCSc1nccs1 ZINC001594182712 998702709 /nfs/dbraw/zinc/70/27/09/998702709.db2.gz FYKXJXHNXIJDMD-WOPDTQHZSA-N 0 0 314.476 3.104 20 10 DGCDRN CC[C@H]1COCCN1Cc1cc(Br)c(C)cc1O ZINC001237682361 1090316984 /nfs/dbraw/zinc/31/69/84/1090316984.db2.gz RCZMIYHMDPBGDG-LBPRGKRZSA-N 0 0 314.223 3.074 20 10 DGCDRN CC(C)(C)OCCC[NH2+]Cc1cccc(Br)c1[O-] ZINC000695294786 1091226984 /nfs/dbraw/zinc/22/69/84/1091226984.db2.gz MJWHRTTWYLSSBG-UHFFFAOYSA-N 0 0 316.239 3.450 20 10 DGCDRN C[C@H](NCc1ccc(Br)cc1O)c1cscn1 ZINC000691439032 1081715606 /nfs/dbraw/zinc/71/56/06/1081715606.db2.gz AHZXPMOBQAVZAA-QMMMGPOBSA-N 0 0 313.220 3.462 20 10 DGCDRN COc1ccc(NC(C)=O)c(Nc2ccc3c(c2)OCCN3)c1 ZINC001209766321 1081791485 /nfs/dbraw/zinc/79/14/85/1081791485.db2.gz OFDRIDYWKUZJAT-UHFFFAOYSA-N 0 0 313.357 3.202 20 10 DGCDRN Cc1ccccc1-c1ccc(NCc2ccc(O)c(O)c2)nn1 ZINC001169991064 1081793438 /nfs/dbraw/zinc/79/34/38/1081793438.db2.gz XQRATUDKVOWAPP-UHFFFAOYSA-N 0 0 307.353 3.475 20 10 DGCDRN Oc1ccc(CNc2nc(Cl)nc(C3CCCC3)n2)cc1O ZINC001169992356 1081795893 /nfs/dbraw/zinc/79/58/93/1081795893.db2.gz DFPWNXZYZLLMRQ-UHFFFAOYSA-N 0 0 320.780 3.206 20 10 DGCDRN Oc1ccc(CNc2nccc(Br)c2F)cc1O ZINC001169995258 1081818393 /nfs/dbraw/zinc/81/83/93/1081818393.db2.gz WKPHCJDJYKUNJE-UHFFFAOYSA-N 0 0 313.126 3.007 20 10 DGCDRN O=[N+]([O-])c1c(NCc2ccc(O)c(O)c2)ccc2ncccc21 ZINC001169994859 1081816112 /nfs/dbraw/zinc/81/61/12/1081816112.db2.gz LFZFKGLNUXVFBP-UHFFFAOYSA-N 0 0 311.297 3.166 20 10 DGCDRN O=[N+]([O-])c1cccc2c(NCc3ccc(O)c(O)c3)ccnc21 ZINC001169996978 1081821144 /nfs/dbraw/zinc/82/11/44/1081821144.db2.gz PFKLUUPAIIGOFT-UHFFFAOYSA-N 0 0 311.297 3.166 20 10 DGCDRN CN(C(=O)/C=C/c1cn(C)cn1)c1c(Cl)cccc1Cl ZINC001266441022 1081822285 /nfs/dbraw/zinc/82/22/85/1081822285.db2.gz QFKIHYZKKKJNJX-VOTSOKGWSA-N 0 0 310.184 3.403 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H](O)C2CCCCCCC2)c1 ZINC001167293382 1081912968 /nfs/dbraw/zinc/91/29/68/1081912968.db2.gz AKENQCKDQOPNSP-KRWDZBQOSA-N 0 0 305.418 3.038 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(-c2c[nH]cn2)cc1)c1ccccc1O ZINC001648889775 1081954373 /nfs/dbraw/zinc/95/43/73/1081954373.db2.gz LDOFGSJUFSIHAH-GFCCVEGCSA-N 0 0 307.353 3.273 20 10 DGCDRN C[C@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccccc1O ZINC001648891561 1081955623 /nfs/dbraw/zinc/95/56/23/1081955623.db2.gz BRUBINIIDKMLMU-VIFPVBQESA-N 0 0 320.732 3.445 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCc1ccoc1 ZINC001625868769 1082139199 /nfs/dbraw/zinc/13/91/99/1082139199.db2.gz HNQUNUKYNIPBDP-UHFFFAOYSA-N 0 0 322.364 3.430 20 10 DGCDRN C[C@H]1Cc2ccccc2CN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588406596 1082151477 /nfs/dbraw/zinc/15/14/77/1082151477.db2.gz JSXWVHGZDIMWFP-JWJUJFCLSA-N 0 0 309.365 3.084 20 10 DGCDRN CCOc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c(C)c1 ZINC000588405777 1082151814 /nfs/dbraw/zinc/15/18/14/1082151814.db2.gz VGHIBZBNDBWOAX-UITAMQMPSA-N 0 0 313.353 3.457 20 10 DGCDRN CC(C)Oc1ccc(NCC(=O)c2ccc(O)c(O)c2)cc1 ZINC001170315330 1082345204 /nfs/dbraw/zinc/34/52/04/1082345204.db2.gz VANQCVSIRMRRPU-UHFFFAOYSA-N 0 0 301.342 3.180 20 10 DGCDRN O=C(CNc1ccccc1-c1cnco1)c1ccc(O)c(O)c1 ZINC001170314933 1082345303 /nfs/dbraw/zinc/34/53/03/1082345303.db2.gz LQYQQZITTRAUKL-UHFFFAOYSA-N 0 0 310.309 3.048 20 10 DGCDRN CSc1ccc(Cl)nc1NCC(=O)c1ccc(O)c(O)c1 ZINC001170317023 1082345615 /nfs/dbraw/zinc/34/56/15/1082345615.db2.gz VNBSSSYBJFGKNN-UHFFFAOYSA-N 0 0 324.789 3.163 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)/C=C\c2cccc(O)c2)cc1 ZINC000588535308 1082572900 /nfs/dbraw/zinc/57/29/00/1082572900.db2.gz SHCFVFIDCMPYTM-XFXZXTDPSA-N 0 0 310.397 3.130 20 10 DGCDRN CN(Cc1ccccc1O)Cc1ccncc1Br ZINC001137695728 1082660848 /nfs/dbraw/zinc/66/08/48/1082660848.db2.gz IXRWAGBJZXUYQU-UHFFFAOYSA-N 0 0 307.191 3.182 20 10 DGCDRN C[C@@H](Cc1ccccn1)[NH2+]Cc1cccc(Br)c1[O-] ZINC000694083188 1082909688 /nfs/dbraw/zinc/90/96/88/1082909688.db2.gz WFVWSWDALLLSOM-NSHDSACASA-N 0 0 321.218 3.271 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)C[C@@H]1CCOC1 ZINC001180929158 1083371234 /nfs/dbraw/zinc/37/12/34/1083371234.db2.gz BOBYZYJFVQINPM-SCLBCKFNSA-N 0 0 317.429 3.175 20 10 DGCDRN Cc1cc(NCc2cc(Cl)c(C)cc2O)cc(C(N)=O)c1 ZINC001181901113 1083576086 /nfs/dbraw/zinc/57/60/86/1083576086.db2.gz PVKIWRQRHGIHRM-UHFFFAOYSA-N 0 0 304.777 3.373 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@H]1CCC(=O)C1 ZINC001181904832 1083576606 /nfs/dbraw/zinc/57/66/06/1083576606.db2.gz MTBJXKLGOHMQGJ-YVEFUNNKSA-N 0 0 315.413 3.118 20 10 DGCDRN CN(CCCc1ccccc1)C(=O)CCc1ccc(O)c(O)c1 ZINC001182155224 1083635030 /nfs/dbraw/zinc/63/50/30/1083635030.db2.gz SJKMOHGPZSXVGS-UHFFFAOYSA-N 0 0 313.397 3.122 20 10 DGCDRN CC(C)(NC(=O)CCc1ccc(O)c(O)c1)c1cccc(F)c1 ZINC001182155161 1083635060 /nfs/dbraw/zinc/63/50/60/1083635060.db2.gz CWNDWOBNXWDULX-UHFFFAOYSA-N 0 0 317.360 3.221 20 10 DGCDRN C[C@@H]1C[C@H](NC(=O)CCc2ccc(O)c(O)c2)CC(C)(C)C1 ZINC001182155125 1083635091 /nfs/dbraw/zinc/63/50/91/1083635091.db2.gz CNQFRFWRCPQOPF-OCCSQVGLSA-N 0 0 305.418 3.361 20 10 DGCDRN Cc1ccccc1C(C)(C)NC(=O)CCc1ccc(O)c(O)c1 ZINC001182156735 1083636569 /nfs/dbraw/zinc/63/65/69/1083636569.db2.gz ARBVFTHCPAXUEO-UHFFFAOYSA-N 0 0 313.397 3.390 20 10 DGCDRN O=C(CCc1cccc2cnccc21)NCc1ccccc1O ZINC001182403141 1083704321 /nfs/dbraw/zinc/70/43/21/1083704321.db2.gz PPTVFANEYMXJTF-UHFFFAOYSA-N 0 0 306.365 3.189 20 10 DGCDRN O=C(NCc1ccccc1O)C1(c2ccccc2)CCC(=O)CC1 ZINC001182908447 1083838890 /nfs/dbraw/zinc/83/88/90/1083838890.db2.gz GLTYIDPTDLPLKC-UHFFFAOYSA-N 0 0 323.392 3.090 20 10 DGCDRN CC[C@H](C)C(=O)C(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001184323417 1084158984 /nfs/dbraw/zinc/15/89/84/1084158984.db2.gz AQWGZBAILDTCAY-BTDLBPIBSA-N 0 0 317.429 3.364 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@]1(C)CCOC1 ZINC001184418687 1084179416 /nfs/dbraw/zinc/17/94/16/1084179416.db2.gz MRSXALXXLYWDEY-LPHOPBHVSA-N 0 0 317.429 3.175 20 10 DGCDRN COCCCNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001184617143 1084225810 /nfs/dbraw/zinc/22/58/10/1084225810.db2.gz IHFWZGVGLCYOML-UHFFFAOYSA-N 0 0 314.341 3.274 20 10 DGCDRN CCOc1cccc(CN2CC(Oc3ccc(F)cc3)C2)c1O ZINC001203614324 1084410104 /nfs/dbraw/zinc/41/01/04/1084410104.db2.gz XFEAJOGKQOUXIC-UHFFFAOYSA-N 0 0 317.360 3.193 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2scnc2C2CC2)c(O)c1 ZINC001185698219 1084504548 /nfs/dbraw/zinc/50/45/48/1084504548.db2.gz DXYGFMIUEONQJA-UHFFFAOYSA-N 0 0 302.399 3.273 20 10 DGCDRN C[C@H](NC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1O ZINC001185986190 1084559089 /nfs/dbraw/zinc/55/90/89/1084559089.db2.gz DUNZZIPUICRTTN-NSHDSACASA-N 0 0 314.341 3.046 20 10 DGCDRN COc1nc(C)cc(N[C@@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC001186729932 1084693243 /nfs/dbraw/zinc/69/32/43/1084693243.db2.gz JMAJTXJGVOIMJG-ZDUSSCGKSA-N 0 0 314.433 3.211 20 10 DGCDRN OC[C@@H]1CCC[C@H](C(F)(F)F)N1Cc1cc(Cl)ccc1O ZINC001203651667 1084736408 /nfs/dbraw/zinc/73/64/08/1084736408.db2.gz SBDBOSBDVKUGOU-WCQYABFASA-N 0 0 323.742 3.323 20 10 DGCDRN CCCCC[C@H](CCC)Oc1c(O)c(O)c(O)c(O)c1O ZINC001226469225 1086090624 /nfs/dbraw/zinc/09/06/24/1086090624.db2.gz SKZRAIMZHISBPT-VIFPVBQESA-N 0 0 300.351 3.342 20 10 DGCDRN O=[N+]([O-])c1ccc(Cl)c(NCCc2cc(O)c(O)cc2O)c1 ZINC001168005410 1086148010 /nfs/dbraw/zinc/14/80/10/1086148010.db2.gz GRFFVRMNAOXSPA-UHFFFAOYSA-N 0 0 324.720 3.020 20 10 DGCDRN CN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC001142514321 1087275353 /nfs/dbraw/zinc/27/53/53/1087275353.db2.gz LJTPNOUKAZHPNW-KBPBESRZSA-N 0 0 305.418 3.314 20 10 DGCDRN CCOCCC(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001142527705 1087277773 /nfs/dbraw/zinc/27/77/73/1087277773.db2.gz MXSPPHLFFYRPDO-KRWDZBQOSA-N 0 0 305.418 3.175 20 10 DGCDRN COc1ccc(N(C)C[C@@H]2CCC3(CCC3)CO2)c(OC)c1 ZINC001168317561 1087292112 /nfs/dbraw/zinc/29/21/12/1087292112.db2.gz QNHDLZQWDSODQM-HNNXBMFYSA-N 0 0 305.418 3.489 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2cscn2)C1 ZINC001137596131 1087378612 /nfs/dbraw/zinc/37/86/12/1087378612.db2.gz FYTHHIHGEHUBBV-UHFFFAOYSA-N 0 0 313.426 3.202 20 10 DGCDRN COc1csc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000176458616 1087777258 /nfs/dbraw/zinc/77/72/58/1087777258.db2.gz AVRVNTPEAYSCSZ-UHFFFAOYSA-N 0 0 304.415 3.095 20 10 DGCDRN Cc1cccc(C(=O)N[C@H](C)c2ccccc2O)c1[N+](=O)[O-] ZINC001151885643 1087807183 /nfs/dbraw/zinc/80/71/83/1087807183.db2.gz AECGCLKQFWWQET-LLVKDONJSA-N 0 0 300.314 3.100 20 10 DGCDRN C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccccc1O ZINC001151892563 1087813555 /nfs/dbraw/zinc/81/35/55/1087813555.db2.gz SMXWVZFSBBIABL-NWDGAFQWSA-N 0 0 303.333 3.176 20 10 DGCDRN Cc1ccc2c(c1)C=C(C(=O)N1Cc3cccc(O)c3C1)CO2 ZINC001152574555 1088006537 /nfs/dbraw/zinc/00/65/37/1088006537.db2.gz YBUSJFBUNHGJIZ-UHFFFAOYSA-N 0 0 307.349 3.019 20 10 DGCDRN Oc1ccc(CNc2nc3c(nc2Cl)CCCC3)cc1O ZINC001159004693 1088132881 /nfs/dbraw/zinc/13/28/81/1088132881.db2.gz GWJXUOYHSUEYFT-UHFFFAOYSA-N 0 0 305.765 3.032 20 10 DGCDRN Oc1ccc(CNc2cncc(OCC3CCCC3)n2)cc1O ZINC001159006283 1088135535 /nfs/dbraw/zinc/13/55/35/1088135535.db2.gz YMDBOKZSHVFMKD-UHFFFAOYSA-N 0 0 315.373 3.069 20 10 DGCDRN O=C(CNc1c(Cl)ccnc1Cl)c1ccc(O)c(O)c1 ZINC001159277295 1088264312 /nfs/dbraw/zinc/26/43/12/1088264312.db2.gz TUDIQSXEGRJMFO-UHFFFAOYSA-N 0 0 313.140 3.094 20 10 DGCDRN C/C(=C/C(=O)NCc1cc(O)ccc1O)c1ccccc1Cl ZINC001153879578 1088395576 /nfs/dbraw/zinc/39/55/76/1088395576.db2.gz QOKSJNFUVOZYSZ-FLIBITNWSA-N 0 0 317.772 3.471 20 10 DGCDRN Oc1c(CNc2ccncc2F)cc(Cl)c2cccnc12 ZINC001168521682 1088525369 /nfs/dbraw/zinc/52/53/69/1088525369.db2.gz GMUWBXYIQCDNBB-UHFFFAOYSA-N 0 0 303.724 3.162 20 10 DGCDRN COC(=O)c1cc(Cl)c(Nc2ccc(N)cc2)cc1OC ZINC001160025057 1088606269 /nfs/dbraw/zinc/60/62/69/1088606269.db2.gz DWUIMNSILAHSEC-UHFFFAOYSA-N 0 0 306.749 3.461 20 10 DGCDRN COc1cc2nc[nH]c(=O)c2cc1Nc1ccc2c(c1)CCCN2 ZINC001160022047 1088607057 /nfs/dbraw/zinc/60/70/57/1088607057.db2.gz UDZDIIIKKQNXSP-UHFFFAOYSA-N 0 0 322.368 3.446 20 10 DGCDRN CCN(Cc1ccccc1O)c1nc2ccccc2c(OC)n1 ZINC001154888685 1088810710 /nfs/dbraw/zinc/81/07/10/1088810710.db2.gz HQBVQFWVHUKODZ-UHFFFAOYSA-N 0 0 309.369 3.371 20 10 DGCDRN CCN(Cc1ccccc1O)c1nc(Cl)ccc1C(=O)OC ZINC001154890395 1088813360 /nfs/dbraw/zinc/81/33/60/1088813360.db2.gz YNTYTZJKWACIIN-UHFFFAOYSA-N 0 0 320.776 3.254 20 10 DGCDRN Cc1cccc(CNc2nccc(C(=O)OC(C)(C)C)n2)c1O ZINC001160768802 1088949211 /nfs/dbraw/zinc/94/92/11/1088949211.db2.gz ALVNWHBJJOHGMA-UHFFFAOYSA-N 0 0 315.373 3.058 20 10 DGCDRN COC(=O)c1c(C)cc(C)nc1NCc1cccc(C)c1O ZINC001160769696 1088951871 /nfs/dbraw/zinc/95/18/71/1088951871.db2.gz PZJVGZVORACECK-UHFFFAOYSA-N 0 0 300.358 3.111 20 10 DGCDRN Cc1cc(C)c(CN[C@H](F)Oc2ccnc(Cl)c2)c(O)c1 ZINC001160808343 1088972048 /nfs/dbraw/zinc/97/20/48/1088972048.db2.gz QFUXWMMOSHDTPK-HNNXBMFYSA-N 0 0 310.756 3.479 20 10 DGCDRN COC(=O)c1cc(NCc2c(C)cc(C)cc2O)ncc1C ZINC001160811017 1088973959 /nfs/dbraw/zinc/97/39/59/1088973959.db2.gz ZLVXCLBQVGNCEH-UHFFFAOYSA-N 0 0 300.358 3.111 20 10 DGCDRN Oc1cc2c(cc1O)CN(c1cnc(-c3ccco3)cn1)CCC2 ZINC001155941741 1089306291 /nfs/dbraw/zinc/30/62/91/1089306291.db2.gz XPSXFKGFDGENSE-UHFFFAOYSA-N 0 0 323.352 3.101 20 10 DGCDRN CCOc1nc(N(C)Cc2ccc(N(C)C)cc2)ncc1Cl ZINC001161994204 1089514342 /nfs/dbraw/zinc/51/43/42/1089514342.db2.gz UDKWKRMCJUSPPU-UHFFFAOYSA-N 0 0 320.824 3.231 20 10 DGCDRN CCC(CC)C(=O)NCCC1=CCN(c2cccc(F)n2)CC1 ZINC001089807393 1089534917 /nfs/dbraw/zinc/53/49/17/1089534917.db2.gz MPLJMSKVUOFJEJ-UHFFFAOYSA-N 0 0 319.424 3.300 20 10 DGCDRN CC(C)(C(=O)NCc1ccc(O)cc1O)c1cccc(Cl)c1 ZINC001162278286 1089649629 /nfs/dbraw/zinc/64/96/29/1089649629.db2.gz GIXPANBWMPJUKQ-UHFFFAOYSA-N 0 0 319.788 3.345 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1c[nH]cc1-c1ccccc1 ZINC001162271525 1089650998 /nfs/dbraw/zinc/65/09/98/1089650998.db2.gz IKCXOBFIEYRDEZ-UHFFFAOYSA-N 0 0 308.337 3.023 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1cc2c(cccc2F)s1 ZINC001162278942 1089652406 /nfs/dbraw/zinc/65/24/06/1089652406.db2.gz OHCFBYZCGFPSSI-UHFFFAOYSA-N 0 0 317.341 3.382 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2nccc(C)n2)cc1 ZINC001162296563 1089664076 /nfs/dbraw/zinc/66/40/76/1089664076.db2.gz YFRMIJNJFRCJMQ-UHFFFAOYSA-N 0 0 320.396 3.123 20 10 DGCDRN COc1cc(Cl)cnc1N(C)Cc1ccc(N(C)C)cc1 ZINC001156924203 1089745982 /nfs/dbraw/zinc/74/59/82/1089745982.db2.gz QPVPZCOSPCTOSO-UHFFFAOYSA-N 0 0 305.809 3.446 20 10 DGCDRN CN(C)c1ccc(CN(C)c2cc(Cl)cc([N+](=O)[O-])n2)cc1 ZINC001156923446 1089746150 /nfs/dbraw/zinc/74/61/50/1089746150.db2.gz CTHWWPAOKMVTRC-UHFFFAOYSA-N 0 0 320.780 3.346 20 10 DGCDRN COc1ccc(O)c(C(=O)NCc2c(O)ccc3ccccc32)c1 ZINC001157041480 1089797004 /nfs/dbraw/zinc/79/70/04/1089797004.db2.gz HQMIPLHZZWBERH-UHFFFAOYSA-N 0 0 323.348 3.190 20 10 DGCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])CC[C@H]1O ZINC001236793087 1089869839 /nfs/dbraw/zinc/86/98/39/1089869839.db2.gz HMGIMXSZKOYFHU-NOZJJQNGSA-N 0 0 304.217 3.292 20 10 DGCDRN [O-]c1cc(Cl)c(Cl)cc1C[N@H+]1CCCC[C@](O)(CF)C1 ZINC001236794926 1089894539 /nfs/dbraw/zinc/89/45/39/1089894539.db2.gz WWCHYSKABUISJV-AWEZNQCLSA-N 0 0 322.207 3.386 20 10 DGCDRN CC[C@H](C)CC(=O)NCCC1=CCN(c2cccc(F)n2)CC1 ZINC001089828571 1089905356 /nfs/dbraw/zinc/90/53/56/1089905356.db2.gz BGRXQHPWHHABEI-AWEZNQCLSA-N 0 0 319.424 3.300 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2ncc(C)cn2)cc1 ZINC001162767872 1089940426 /nfs/dbraw/zinc/94/04/26/1089940426.db2.gz FQKDLCHPPCVRIM-UHFFFAOYSA-N 0 0 320.396 3.123 20 10 DGCDRN CCOC(=O)c1c(C)cc(Cl)nc1NCc1ccc(N)cc1 ZINC001162784294 1089952668 /nfs/dbraw/zinc/95/26/68/1089952668.db2.gz JHOANLXMXZTCTF-UHFFFAOYSA-N 0 0 319.792 3.414 20 10 DGCDRN CCOC(=O)c1c(C)nc(Cl)cc1NCc1ccc(N)cc1 ZINC001162784344 1089955022 /nfs/dbraw/zinc/95/50/22/1089955022.db2.gz LMAFWALEIBMYEI-UHFFFAOYSA-N 0 0 319.792 3.414 20 10 DGCDRN Cc1ncc(F)c(NCc2cc(Cl)c3cccnc3c2O)n1 ZINC001157724687 1090088876 /nfs/dbraw/zinc/08/88/76/1090088876.db2.gz SNFZJHVTVOWOCS-UHFFFAOYSA-N 0 0 318.739 3.443 20 10 DGCDRN Cc1ccc(C(=O)NC2(c3ccccc3F)CCC2)c(O)c1O ZINC001163145947 1090090377 /nfs/dbraw/zinc/09/03/77/1090090377.db2.gz OEQDLDZGASQYNG-UHFFFAOYSA-N 0 0 315.344 3.355 20 10 DGCDRN Cc1ncccc1/C=C/C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC001127661008 1090111371 /nfs/dbraw/zinc/11/13/71/1090111371.db2.gz VBQKANAGKWEKPK-MDZDMXLPSA-N 0 0 323.352 3.291 20 10 DGCDRN CC1(CC(=O)NCCC2=CCN(c3cccc(F)n3)CC2)CC1 ZINC001089851462 1090144607 /nfs/dbraw/zinc/14/46/07/1090144607.db2.gz ROCHOHUAZSIMCD-UHFFFAOYSA-N 0 0 317.408 3.054 20 10 DGCDRN COC(=O)c1c(C)c(C)sc1NC(=O)C1=CC(=O)CS1 ZINC001163689220 1090233617 /nfs/dbraw/zinc/23/36/17/1090233617.db2.gz FSAKZCXEPXRFGK-UHFFFAOYSA-N 0 0 311.384 3.171 20 10 DGCDRN C[C@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2[O-])CC[C@]1(C)O ZINC001237808680 1090326143 /nfs/dbraw/zinc/32/61/43/1090326143.db2.gz VXZUDRFOOJKSOD-BONVTDFDSA-N 0 0 301.789 3.168 20 10 DGCDRN CCOCC1CC[NH+](Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237800522 1090326343 /nfs/dbraw/zinc/32/63/43/1090326343.db2.gz AAJQCVXCUAAOCH-UHFFFAOYSA-N 0 0 301.789 3.433 20 10 DGCDRN O=C(/C=C\c1ccc(O)cc1)NCc1cc(Cl)ccc1O ZINC001165498609 1090525629 /nfs/dbraw/zinc/52/56/29/1090525629.db2.gz PESUNVKCIGPJSD-BAQGIRSFSA-N 0 0 303.745 3.081 20 10 DGCDRN Fc1cc(F)c(-c2noc(-c3csnn3)n2)cc1Cl ZINC001212362388 1090575357 /nfs/dbraw/zinc/57/53/57/1090575357.db2.gz QXMMVECILHBJGL-UHFFFAOYSA-N 0 0 300.677 3.187 20 10 DGCDRN Cc1snnc1-c1nc(-c2cccc(OC(F)F)c2)no1 ZINC001212405478 1090626577 /nfs/dbraw/zinc/62/65/77/1090626577.db2.gz USPHYPRRIZVHSQ-UHFFFAOYSA-N 0 0 310.285 3.165 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)c1cc(F)ccc1F ZINC001116836678 1090694644 /nfs/dbraw/zinc/69/46/44/1090694644.db2.gz GROYESZPAGUJCF-UHFFFAOYSA-N 0 0 309.659 3.407 20 10 DGCDRN CS[C@H]1C[C@H]([NH2+]Cc2cc(C)cc(Br)c2[O-])C1 ZINC001203288889 1090713134 /nfs/dbraw/zinc/71/31/34/1090713134.db2.gz GLYKNBRFTYIZTK-XYPYZODXSA-N 0 0 316.264 3.447 20 10 DGCDRN COc1cc(C)c(NC(=O)NCc2c(O)cccc2F)cc1F ZINC001203541241 1090750968 /nfs/dbraw/zinc/75/09/68/1090750968.db2.gz UTAPZTQNVPMQSK-UHFFFAOYSA-N 0 0 322.311 3.309 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)Nc1ccc([N+](=O)[O-])cc1 ZINC001203710106 1090786267 /nfs/dbraw/zinc/78/62/67/1090786267.db2.gz DSNDRMQTRGNVPZ-UHFFFAOYSA-N 0 0 321.720 3.276 20 10 DGCDRN Oc1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1O ZINC001203874387 1090825581 /nfs/dbraw/zinc/82/55/81/1090825581.db2.gz VSGQBCBRLZJVQF-UHFFFAOYSA-N 0 0 318.804 3.073 20 10 DGCDRN CN(C)c1ccc(CN2[C@@H](CO)CCC[C@H]2C(F)(F)F)cc1 ZINC001203929376 1090841727 /nfs/dbraw/zinc/84/17/27/1090841727.db2.gz BBYVRQLWJBLTCR-CABCVRRESA-N 0 0 316.367 3.030 20 10 DGCDRN CCOC(=O)[C@@H]1CCCCN1Cc1ccc(N(CC)CC)cc1 ZINC001203938640 1090844089 /nfs/dbraw/zinc/84/40/89/1090844089.db2.gz ATBADXZWCZCXNQ-SFHVURJKSA-N 0 0 318.461 3.450 20 10 DGCDRN CN(C)c1ccc(CN2CC[C@H](N3CCCC3)C(F)(F)C2)cc1 ZINC001203937280 1090844228 /nfs/dbraw/zinc/84/42/28/1090844228.db2.gz TVEASHAQMGSCTG-KRWDZBQOSA-N 0 0 323.431 3.058 20 10 DGCDRN CN(C)c1ccc(C[N@@H+]2CC[C@@H](C(=O)c3ccccc3)C2)cc1 ZINC001203935791 1090844669 /nfs/dbraw/zinc/84/46/69/1090844669.db2.gz DMTGXPJBTOKIBU-GOSISDBHSA-N 0 0 308.425 3.457 20 10 DGCDRN CCN(CC)c1ccc(CN2CC(N3CCC(F)(F)C3)C2)cc1 ZINC001203943404 1090846618 /nfs/dbraw/zinc/84/66/18/1090846618.db2.gz ZSKCEPMNBWXQMF-UHFFFAOYSA-N 0 0 323.431 3.058 20 10 DGCDRN CN(C)c1ccc(CN2CC[C@H](O)C(F)(F)C2)c2ccccc21 ZINC001204242422 1090932919 /nfs/dbraw/zinc/93/29/19/1090932919.db2.gz PIYANPHZNSBHTO-KRWDZBQOSA-N 0 0 320.383 3.108 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2nccs2)C1 ZINC001204547902 1090997074 /nfs/dbraw/zinc/99/70/74/1090997074.db2.gz PHDNMZCBAXONLD-UHFFFAOYSA-N 0 0 313.426 3.202 20 10 DGCDRN Cn1cnc(/C=C\C(=O)N2CCc3cccc(C(F)(F)F)c32)c1 ZINC001128777291 1091086433 /nfs/dbraw/zinc/08/64/33/1091086433.db2.gz IHPLWJFAQNFZLY-WAYWQWQTSA-N 0 0 321.302 3.041 20 10 DGCDRN CCOC(=O)[C@@H]1CCCCN1Cc1c(C)n(C)c2ccccc12 ZINC001138256750 1091126896 /nfs/dbraw/zinc/12/68/96/1091126896.db2.gz JFIZCEOWLBNNMY-SFHVURJKSA-N 0 0 314.429 3.404 20 10 DGCDRN Cc1c(CN2CCO[C@H](c3ccccn3)C2)c2ccccc2n1C ZINC001138258440 1091128342 /nfs/dbraw/zinc/12/83/42/1091128342.db2.gz SGNGKEJGAMJJEL-FQEVSTJZSA-N 0 0 321.424 3.455 20 10 DGCDRN Cc1ccc(CN2CCCc3cc(O)c(O)cc3C2)cc1F ZINC001205244383 1091146233 /nfs/dbraw/zinc/14/62/33/1091146233.db2.gz YITAWYYCVQFQEW-UHFFFAOYSA-N 0 0 301.361 3.494 20 10 DGCDRN CCN(CC)c1ccc(CN2CCC(=O)C(C)(C)C2)c(OC)c1 ZINC001138388961 1091163257 /nfs/dbraw/zinc/16/32/57/1091163257.db2.gz CMVVSNPPSATORP-UHFFFAOYSA-N 0 0 318.461 3.342 20 10 DGCDRN CCN(CC)c1ccc(CN2C[C@@H](C)OC[C@H]2C)c(OC)c1 ZINC001138392391 1091165947 /nfs/dbraw/zinc/16/59/47/1091165947.db2.gz VWTMOTWHZHCHQJ-HUUCEWRRSA-N 0 0 306.450 3.151 20 10 DGCDRN CCCCC[C@@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)OC ZINC001205434835 1091220701 /nfs/dbraw/zinc/22/07/01/1091220701.db2.gz RCAVICKNNQDYSB-GFOMBABLSA-N 0 0 318.461 3.477 20 10 DGCDRN C[C@H]1CN(Cc2c(O)cccc2F)[C@@H](c2ccccc2)CO1 ZINC001137841815 1091226071 /nfs/dbraw/zinc/22/60/71/1091226071.db2.gz WHLOMFQCIAPYMS-SUMWQHHRSA-N 0 0 301.361 3.493 20 10 DGCDRN [O-]c1cccc(F)c1C[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC001137841643 1091226610 /nfs/dbraw/zinc/22/66/10/1091226610.db2.gz NYQARODNIAVBFO-AWEZNQCLSA-N 0 0 305.324 3.324 20 10 DGCDRN Nc1ccc(N(c2cnn(C3COC3)c2)c2ccc(N)cc2)cc1 ZINC001205586839 1091267845 /nfs/dbraw/zinc/26/78/45/1091267845.db2.gz YZVDPUFUHURXLO-UHFFFAOYSA-N 0 0 321.384 3.089 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2ccncc2C)C1 ZINC001205857658 1091381180 /nfs/dbraw/zinc/38/11/80/1091381180.db2.gz LFGNVVGUBTXDOU-UHFFFAOYSA-N 0 0 321.424 3.449 20 10 DGCDRN C[C@H](Cc1cccs1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001294431574 1091393833 /nfs/dbraw/zinc/39/38/33/1091393833.db2.gz MRRYWGMRNJJXHO-WAFBPQNNSA-N 0 0 317.410 3.262 20 10 DGCDRN C[C@@H](Cc1cccs1)N(C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001294431573 1091394463 /nfs/dbraw/zinc/39/44/63/1091394463.db2.gz MRRYWGMRNJJXHO-VFFGBVLKSA-N 0 0 317.410 3.262 20 10 DGCDRN C[C@@H]1[C@H](C[NH3+])CCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC001205902237 1091399613 /nfs/dbraw/zinc/39/96/13/1091399613.db2.gz JCTYLNGZWTUOPD-ZJUUUORDSA-N 0 0 303.233 3.258 20 10 DGCDRN Cc1ccc(CNC(=O)C2=CC(=O)CS2)c(OC(C)C)c1 ZINC001294623163 1091422563 /nfs/dbraw/zinc/42/25/63/1091422563.db2.gz ALMZJNVWMLNCAC-UHFFFAOYSA-N 0 0 305.399 3.479 20 10 DGCDRN Cc1cc(CNc2ncc([N+](=O)[O-])cn2)c(C)n1-c1ccccc1 ZINC001307184560 1091511696 /nfs/dbraw/zinc/51/16/96/1091511696.db2.gz FAWBSIWUJRGQDT-UHFFFAOYSA-N 0 0 323.356 3.404 20 10 DGCDRN CCN(CC)c1ccc(Cn2c(C)nnc2N(C)C2CC2)cc1 ZINC001295409561 1091562124 /nfs/dbraw/zinc/56/21/24/1091562124.db2.gz DVSWYFSUAINCKA-UHFFFAOYSA-N 0 0 313.449 3.080 20 10 DGCDRN COc1cccc(CC[N@H+](C)Cc2c(F)ccc(F)c2[O-])c1 ZINC001139683239 1091641475 /nfs/dbraw/zinc/64/14/75/1091641475.db2.gz JAFBCZGYYMIWHN-UHFFFAOYSA-N 0 0 307.340 3.354 20 10 DGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001139688865 1091643104 /nfs/dbraw/zinc/64/31/04/1091643104.db2.gz CAMOIBNTPRNNKO-ZDUSSCGKSA-N 0 0 320.339 3.109 20 10 DGCDRN O=C(c1ccccc1)[C@H]1CC[N@@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139688026 1091643401 /nfs/dbraw/zinc/64/34/01/1091643401.db2.gz WLYZPBCSNKTWLD-ZDUSSCGKSA-N 0 0 317.335 3.375 20 10 DGCDRN COc1ncc(Cl)cc1CN(C)Cc1ccc(N(C)C)cc1 ZINC001139751214 1091664273 /nfs/dbraw/zinc/66/42/73/1091664273.db2.gz YPFWHOWPTHSQBV-UHFFFAOYSA-N 0 0 319.836 3.442 20 10 DGCDRN COc1ccc(N2CCN(Cc3ncc(C)s3)CC2)c(C)c1 ZINC001139812346 1091675907 /nfs/dbraw/zinc/67/59/07/1091675907.db2.gz SWAIVYYOKFVNSK-UHFFFAOYSA-N 0 0 317.458 3.091 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N=S(C)(C)=O ZINC000825153233 1091732469 /nfs/dbraw/zinc/73/24/69/1091732469.db2.gz BPBODSFHXFWLBR-UHFFFAOYSA-N 0 0 304.415 3.270 20 10 DGCDRN FC(F)c1nccnc1NCCCSc1nccs1 ZINC001323616604 1091772274 /nfs/dbraw/zinc/77/22/74/1091772274.db2.gz ABMCEYQGTJGVBV-UHFFFAOYSA-N 0 0 302.375 3.465 20 10 DGCDRN Cc1ccc(C)c(CN2C[C@H](CO)CC[C@@H]2C(F)(F)F)c1O ZINC001140178552 1091792506 /nfs/dbraw/zinc/79/25/06/1091792506.db2.gz OEJMZZGKAFUZTP-TZMCWYRMSA-N 0 0 317.351 3.144 20 10 DGCDRN Cc1ccc(C)c(CN2CC[C@@H](N3CCCC3)C(F)(F)C2)c1O ZINC001140184770 1091795367 /nfs/dbraw/zinc/79/53/67/1091795367.db2.gz HKEDRMOUDHDGCL-MRXNPFEDSA-N 0 0 324.415 3.314 20 10 DGCDRN OC[C@@H]1CC[C@H](C(F)(F)F)N(Cc2c(O)cccc2Cl)C1 ZINC001140337850 1091833267 /nfs/dbraw/zinc/83/32/67/1091833267.db2.gz JMVDYSZRJJZFQR-NOZJJQNGSA-N 0 0 323.742 3.181 20 10 DGCDRN Oc1cccc(Cl)c1C[N@@H+]1CCCC[C@](O)(C(F)(F)F)C1 ZINC001140337783 1091833503 /nfs/dbraw/zinc/83/35/03/1091833503.db2.gz DWDMEFILZNGAFL-CYBMUJFWSA-N 0 0 323.742 3.325 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1cc(Cl)ncc1F)CCC2 ZINC001140608617 1091931724 /nfs/dbraw/zinc/93/17/24/1091931724.db2.gz FBBYZDINBVCKDM-UHFFFAOYSA-N 0 0 322.767 3.234 20 10 DGCDRN Cc1c(O)ccc(CN2CC(=O)c3cc(Cl)ccc3C2)c1O ZINC001140751519 1091985125 /nfs/dbraw/zinc/98/51/25/1091985125.db2.gz ZYGHQXVSLKMBCZ-UHFFFAOYSA-N 0 0 317.772 3.258 20 10 DGCDRN Cc1c(O)ccc(CN2CCc3ncc(Cl)cc3C2)c1O ZINC001140747604 1091985844 /nfs/dbraw/zinc/98/58/44/1091985844.db2.gz GHMLEOMMCHYNQG-UHFFFAOYSA-N 0 0 304.777 3.013 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]Cc1c(F)cc(F)cc1F ZINC001207502158 1091993831 /nfs/dbraw/zinc/99/38/31/1091993831.db2.gz QLDNPUNAORPTCU-UHFFFAOYSA-N 0 0 303.230 3.378 20 10 DGCDRN Cc1noc([C@@H]2CCCN2Cc2ccc(N(C)C)cc2Cl)n1 ZINC001140924629 1092065395 /nfs/dbraw/zinc/06/53/95/1092065395.db2.gz JRIYMWYBKLTQHA-HNNXBMFYSA-N 0 0 320.824 3.435 20 10 DGCDRN Cc1nc([C@H]2COCCN2Cc2ccc(C)cc2O)cs1 ZINC001140952484 1092077165 /nfs/dbraw/zinc/07/71/65/1092077165.db2.gz UCKZLKYRJJHLHN-OAHLLOKOSA-N 0 0 304.415 3.039 20 10 DGCDRN Cc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)OC(C)(C)C)c(O)c1 ZINC001140950821 1092078503 /nfs/dbraw/zinc/07/85/03/1092078503.db2.gz JXAOUHYDLICEJD-HNNXBMFYSA-N 0 0 305.418 3.397 20 10 DGCDRN CCCCc1nc(CN(C)Cc2ccc(N(C)C)cc2)c[nH]1 ZINC001141071376 1092127788 /nfs/dbraw/zinc/12/77/88/1092127788.db2.gz MDFHIVJLYYXSSQ-UHFFFAOYSA-N 0 0 300.450 3.450 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cncc(Cl)c2)c1 ZINC001208057531 1092185172 /nfs/dbraw/zinc/18/51/72/1092185172.db2.gz SWDWHWDWEWPCQK-SECBINFHSA-N 0 0 321.764 3.332 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)Cc1cccnc1 ZINC001142149897 1092421478 /nfs/dbraw/zinc/42/14/78/1092421478.db2.gz QTAQFTMGIGZXIR-IBGZPJMESA-N 0 0 324.424 3.386 20 10 DGCDRN Cc1cnn(CC(=O)N(Cc2ccccc2)c2ccc(N)cc2)c1 ZINC001142175011 1092427314 /nfs/dbraw/zinc/42/73/14/1092427314.db2.gz GTRQSNWALRZHDW-UHFFFAOYSA-N 0 0 320.396 3.007 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(C[C@@H]2CCC=CO2)C1 ZINC001208880880 1092559814 /nfs/dbraw/zinc/55/98/14/1092559814.db2.gz QPJHXORAWKBXOI-HNNXBMFYSA-N 0 0 312.413 3.238 20 10 DGCDRN O=C(NC1(c2ccccc2F)CCC1)c1cccc(O)c1O ZINC001143168269 1092626415 /nfs/dbraw/zinc/62/64/15/1092626415.db2.gz BCDUFHXJSNEXLW-UHFFFAOYSA-N 0 0 301.317 3.046 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1cc(F)ccc1O ZINC001149880898 1092739107 /nfs/dbraw/zinc/73/91/07/1092739107.db2.gz YBFGVZPNQAQWBX-UHFFFAOYSA-N 0 0 317.360 3.218 20 10 DGCDRN Cc1cc(Cl)cc(C(=O)N(C)Cc2ccccc2O)c1N ZINC001149871513 1092739271 /nfs/dbraw/zinc/73/92/71/1092739271.db2.gz FTCBXXWAHDVASE-UHFFFAOYSA-N 0 0 304.777 3.208 20 10 DGCDRN CCOC(=O)CN(C)Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001209516695 1092804968 /nfs/dbraw/zinc/80/49/68/1092804968.db2.gz LYZOTPGBZXZDSZ-UHFFFAOYSA-N 0 0 300.402 3.089 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(CN2CCc3c(ncn3C)C2)cc1 ZINC001209520474 1092807266 /nfs/dbraw/zinc/80/72/66/1092807266.db2.gz YDWNFHXESFOMBQ-UHFFFAOYSA-N 0 0 320.440 3.386 20 10 DGCDRN CO[C@H]1CN(Cc2ccc(-n3c(C)ccc3C)cc2)C[C@@H]1F ZINC001209519427 1092808423 /nfs/dbraw/zinc/80/84/23/1092808423.db2.gz TYBXIQIEFHMEKR-ROUUACIJSA-N 0 0 302.393 3.263 20 10 DGCDRN Cc1cccn2cc(CN3CCCc4cc(O)c(O)cc4C3)nc12 ZINC001209740850 1092897478 /nfs/dbraw/zinc/89/74/78/1092897478.db2.gz GXPSMYBVVIDYMX-UHFFFAOYSA-N 0 0 323.396 3.002 20 10 DGCDRN COC(=O)/C=C/c1cccc(Nc2ccc3c(c2)OCCN3)c1 ZINC001209792544 1092925273 /nfs/dbraw/zinc/92/52/73/1092925273.db2.gz QBVLRGIBEAEMSP-VMPITWQZSA-N 0 0 310.353 3.421 20 10 DGCDRN COC(=O)c1c(C)ccc(Nc2ccc3c(c2)OCCN3)c1F ZINC001209792843 1092925851 /nfs/dbraw/zinc/92/58/51/1092925851.db2.gz VKOXHNIGPFFHAL-UHFFFAOYSA-N 0 0 316.332 3.469 20 10 DGCDRN CO[C@H](C)c1cccc(N(c2ccc(N)cc2)S(C)(=O)=O)c1 ZINC001209953321 1092993146 /nfs/dbraw/zinc/99/31/46/1092993146.db2.gz ZTXBHYAVYOUZOK-GFCCVEGCSA-N 0 0 320.414 3.074 20 10 DGCDRN Oc1cc(Nc2cccc(O)c2O)cc(OC(F)(F)F)c1 ZINC001211123235 1093385009 /nfs/dbraw/zinc/38/50/09/1093385009.db2.gz UHSQUAPVRSVJCJ-UHFFFAOYSA-N 0 0 301.220 3.446 20 10 DGCDRN O=C(NCc1c(O)cccc1F)Nc1nc2ccccc2s1 ZINC001214141091 1093721162 /nfs/dbraw/zinc/72/11/62/1093721162.db2.gz RINSWXPTPNEGQD-UHFFFAOYSA-N 0 0 317.345 3.463 20 10 DGCDRN COc1cc(F)c(-c2noc(-c3cccc(O)c3O)n2)cc1F ZINC001215146001 1093926788 /nfs/dbraw/zinc/92/67/88/1093926788.db2.gz WHYVFQWIYCGTJQ-UHFFFAOYSA-N 0 0 320.251 3.102 20 10 DGCDRN CC(C)Oc1ccc(F)c(N(CCO)c2ccc(N)cc2)c1F ZINC001215174884 1093934080 /nfs/dbraw/zinc/93/40/80/1093934080.db2.gz NXORBPTZPBYURS-UHFFFAOYSA-N 0 0 322.355 3.465 20 10 DGCDRN Oc1cccc(Nc2c(F)cc(C3OCCO3)cc2F)c1O ZINC001215438053 1093983384 /nfs/dbraw/zinc/98/33/84/1093983384.db2.gz PMYMIAVOPKYPFV-UHFFFAOYSA-N 0 0 309.268 3.165 20 10 DGCDRN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](OC(C)C)C2)c1O ZINC000404468649 1094258299 /nfs/dbraw/zinc/25/82/99/1094258299.db2.gz CLCFSRDLSKWGFZ-OAHLLOKOSA-N 0 0 309.381 3.123 20 10 DGCDRN Cc1cccnc1-c1noc(-c2ccc(O)c(O)c2Cl)n1 ZINC001216953966 1094283264 /nfs/dbraw/zinc/28/32/64/1094283264.db2.gz LLRMDXOGSYMVPD-UHFFFAOYSA-N 0 0 303.705 3.172 20 10 DGCDRN C[C@H](NC(=O)NC1(C(F)(F)F)CC1)c1ccc(N(C)C)cc1 ZINC001119863627 1094300746 /nfs/dbraw/zinc/30/07/46/1094300746.db2.gz GBOXRFIJNDOHPC-JTQLQIEISA-N 0 0 315.339 3.208 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCC[C@H](F)C1 ZINC001119894654 1094304266 /nfs/dbraw/zinc/30/42/66/1094304266.db2.gz LHADQZMTNLEHQH-RYUDHWBXSA-N 0 0 300.370 3.022 20 10 DGCDRN Cc1ccc(CN(CC2CC2)C(=O)NCc2ccc(N)cc2)cn1 ZINC001120677191 1094488250 /nfs/dbraw/zinc/48/82/50/1094488250.db2.gz MUDXNHXKXPWNHR-UHFFFAOYSA-N 0 0 324.428 3.094 20 10 DGCDRN Cc1nc(C)c([C@@H](C)N(C)C(=O)NCc2ccc(N)cc2)s1 ZINC001120681053 1094489536 /nfs/dbraw/zinc/48/95/36/1094489536.db2.gz DKMVKDZTUQIZJG-LLVKDONJSA-N 0 0 318.446 3.245 20 10 DGCDRN COc1cc(Nc2ccc3c(c2)CCN3)c(Cl)c(OC)n1 ZINC001159522959 1094631671 /nfs/dbraw/zinc/63/16/71/1094631671.db2.gz RHGPVRGCPGTYAQ-UHFFFAOYSA-N 0 0 305.765 3.464 20 10 DGCDRN Cc1ccccc1CN(C)c1nnc(C2SC=CC2=O)n1C ZINC001121366261 1094670731 /nfs/dbraw/zinc/67/07/31/1094670731.db2.gz OFLLJULLOKEIGR-UHFFFAOYSA-N 0 0 314.414 3.194 20 10 DGCDRN Nc1ccc(CNC(=O)N[C@@H]2CCCc3sccc32)cc1 ZINC001336860717 1094762059 /nfs/dbraw/zinc/76/20/59/1094762059.db2.gz YKZYCHGOHUAQTI-CQSZACIVSA-N 0 0 301.415 3.207 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCC[C@@H]2OC)cc1 ZINC001135946000 1094762718 /nfs/dbraw/zinc/76/27/18/1094762718.db2.gz AKEOIPMBOPTJEA-ROUUACIJSA-N 0 0 318.461 3.306 20 10 DGCDRN C[C@H](NC(=O)N1CCC[C@H]1C(F)F)c1ccc(N(C)C)cc1 ZINC001121997719 1094863238 /nfs/dbraw/zinc/86/32/38/1094863238.db2.gz YKVMITAZQHTZFJ-FZMZJTMJSA-N 0 0 311.376 3.253 20 10 DGCDRN Cc1noc(C2CC2)c1NC(=O)N[C@H](C)c1ccccc1O ZINC001122027813 1094874051 /nfs/dbraw/zinc/87/40/51/1094874051.db2.gz JYCFTIBRHNKBPE-SECBINFHSA-N 0 0 301.346 3.449 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1cc2cc[nH]c2cn1 ZINC001219302475 1094959478 /nfs/dbraw/zinc/95/94/78/1094959478.db2.gz YSGFFWUFMHJJMQ-UHFFFAOYSA-N 0 0 323.400 3.259 20 10 DGCDRN CCCOc1cc(C)ccc1NC(=O)c1cccc(O)c1O ZINC001136316112 1094986128 /nfs/dbraw/zinc/98/61/28/1094986128.db2.gz RTJARVBNILEWGA-UHFFFAOYSA-N 0 0 301.342 3.447 20 10 DGCDRN Cc1cc(OC(C)C)ccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001136321322 1094988486 /nfs/dbraw/zinc/98/84/86/1094988486.db2.gz VTUUKXGDWRVNBX-UHFFFAOYSA-N 0 0 315.369 3.375 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)c1 ZINC001337652713 1095050919 /nfs/dbraw/zinc/05/09/19/1095050919.db2.gz ZKKVRKLVTHANGP-IIPRWVHMSA-N 0 0 318.417 3.053 20 10 DGCDRN C[C@@H]([NH2+]Cc1cccc(Br)c1[O-])c1cscn1 ZINC000697936652 1095053021 /nfs/dbraw/zinc/05/30/21/1095053021.db2.gz SWGXECUOKXCIPB-MRVPVSSYSA-N 0 0 313.220 3.462 20 10 DGCDRN CC(C)Cn1c(C2SC=CC2=O)nnc1N1CCC[C@@H]1C ZINC001122741969 1095056204 /nfs/dbraw/zinc/05/62/04/1095056204.db2.gz CSVKYGAVEWLFPQ-NSHDSACASA-N 0 0 306.435 3.357 20 10 DGCDRN Oc1ccc(Br)cc1CNc1cncnc1Cl ZINC001160011395 1095077405 /nfs/dbraw/zinc/07/74/05/1095077405.db2.gz ADDKMGWHIPMBKZ-UHFFFAOYSA-N 0 0 314.570 3.210 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)Nc2cnoc2)ccc1C ZINC001136569026 1095077434 /nfs/dbraw/zinc/07/74/34/1095077434.db2.gz APDWARRGMYRXKW-UHFFFAOYSA-N 0 0 323.352 3.455 20 10 DGCDRN C[C@@H](CCc1ccccc1)NC(=O)NCc1c(O)cccc1F ZINC001220549717 1095111832 /nfs/dbraw/zinc/11/18/32/1095111832.db2.gz RWCBLQKEVSLPOY-ZDUSSCGKSA-N 0 0 316.376 3.352 20 10 DGCDRN CCN(Cc1cccs1)c1nnc(C2SC=CC2=O)n1C ZINC001338086854 1095186200 /nfs/dbraw/zinc/18/62/00/1095186200.db2.gz JNEOGTHUMCCSMC-UHFFFAOYSA-N 0 0 320.443 3.337 20 10 DGCDRN COc1cc(C)cc(CN(C)Cc2cc(C(C)(C)C)n[nH]2)c1O ZINC001338148141 1095202169 /nfs/dbraw/zinc/20/21/69/1095202169.db2.gz UVAMXSSNZMHIAX-UHFFFAOYSA-N 0 0 317.433 3.362 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)C[C@@H]3C=CCC3)CC2)cc1 ZINC001338308833 1095258857 /nfs/dbraw/zinc/25/88/57/1095258857.db2.gz FBISWPRCYUSAQI-OAHLLOKOSA-N 0 0 314.429 3.137 20 10 DGCDRN Oc1cccc(-c2nc(-c3cc(F)c(F)c(F)c3)no2)c1O ZINC000318515631 1095329639 /nfs/dbraw/zinc/32/96/39/1095329639.db2.gz YTNOYRNWTUKUMT-UHFFFAOYSA-N 0 0 308.215 3.232 20 10 DGCDRN Oc1ccc(-c2nc(-c3cc(F)c(F)c(F)c3)no2)cc1O ZINC000318814321 1095353382 /nfs/dbraw/zinc/35/33/82/1095353382.db2.gz YNNJDGDUYUKZRB-UHFFFAOYSA-N 0 0 308.215 3.232 20 10 DGCDRN Nc1ccc(CNC(=O)N[C@H]2CC[C@H](Cc3ccccc3)C2)cc1 ZINC001338730532 1095374377 /nfs/dbraw/zinc/37/43/77/1095374377.db2.gz BKSYPNTUUWPEIM-MJGOQNOKSA-N 0 0 323.440 3.479 20 10 DGCDRN CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1cc(O)ccc1O ZINC001338764394 1095383141 /nfs/dbraw/zinc/38/31/41/1095383141.db2.gz FTSQUOFIBDYITH-HNNXBMFYSA-N 0 0 318.760 3.338 20 10 DGCDRN CCc1nc(C(C)C)ccc1C(=O)NCc1cccc(O)c1O ZINC001123979046 1095503014 /nfs/dbraw/zinc/50/30/14/1095503014.db2.gz ZWAXTQVDYCLTCO-UHFFFAOYSA-N 0 0 314.385 3.109 20 10 DGCDRN CC1(C)[C@@H]2C[N@@H+](Cc3cc(Br)c(F)cc3[O-])C[C@@H]21 ZINC001144306734 1095600864 /nfs/dbraw/zinc/60/08/64/1095600864.db2.gz OBFSCDQGBWOETK-AOOOYVTPSA-N 0 0 314.198 3.382 20 10 DGCDRN Cc1cc(NCc2cc(Br)ccc2O)nnc1C ZINC001171173983 1095640014 /nfs/dbraw/zinc/64/00/14/1095640014.db2.gz FNAQXPALTFMSPH-UHFFFAOYSA-N 0 0 308.179 3.174 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C[C@@H]2CC(C)(C)CO2)cc1 ZINC001125166268 1095664604 /nfs/dbraw/zinc/66/46/04/1095664604.db2.gz GTIBDBJOVACHDU-QGZVFWFLSA-N 0 0 318.461 3.354 20 10 DGCDRN CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cnc(OC)c(F)c1 ZINC001144472687 1095681146 /nfs/dbraw/zinc/68/11/46/1095681146.db2.gz FWAIFVZQPAOSAZ-UHFFFAOYSA-N 0 0 317.408 3.317 20 10 DGCDRN CN(CC(=O)OC(C)(C)C)Cc1ccc(N2CCCC2)cc1 ZINC001116898076 1095694967 /nfs/dbraw/zinc/69/49/67/1095694967.db2.gz CPMKYPUSEDOZFZ-UHFFFAOYSA-N 0 0 304.434 3.060 20 10 DGCDRN O=C1CN(Cc2c(O)cccc2F)Cc2ccc(Cl)cc21 ZINC001137841446 1095758000 /nfs/dbraw/zinc/75/80/00/1095758000.db2.gz FFXGWBPEBAYSKK-UHFFFAOYSA-N 0 0 305.736 3.383 20 10 DGCDRN Oc1cccc(F)c1CN1CC(Oc2ccc(F)c(F)c2)C1 ZINC001137837612 1095758262 /nfs/dbraw/zinc/75/82/62/1095758262.db2.gz NOPXLCJIRQFOSJ-UHFFFAOYSA-N 0 0 309.287 3.073 20 10 DGCDRN Oc1cccc(F)c1CN1CCn2cc(-c3ccccc3)nc2C1 ZINC001137840047 1095759034 /nfs/dbraw/zinc/75/90/34/1095759034.db2.gz QBOXPWHOJFVJHO-UHFFFAOYSA-N 0 0 323.371 3.411 20 10 DGCDRN Oc1cccc(F)c1CN1CCN(c2ccc(F)cc2F)CC1 ZINC001137839198 1095760486 /nfs/dbraw/zinc/76/04/86/1095760486.db2.gz VVKGDAJHJKIGSB-UHFFFAOYSA-N 0 0 322.330 3.132 20 10 DGCDRN C[C@]1(c2ccc(F)cc2)CN(Cc2c(O)cccc2F)CCO1 ZINC001137839126 1095760751 /nfs/dbraw/zinc/76/07/51/1095760751.db2.gz SJENLSSJOJMIPZ-GOSISDBHSA-N 0 0 319.351 3.418 20 10 DGCDRN C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc2c(c1)CCC2 ZINC001137977465 1095816194 /nfs/dbraw/zinc/81/61/94/1095816194.db2.gz CKNSOZONNJPCEA-GFCCVEGCSA-N 0 0 311.381 3.006 20 10 DGCDRN [O-]c1c(CN2CC[C@H]3C[N@@H+](C4CCCC4)C[C@H]32)ccc(F)c1F ZINC001276856853 1095836052 /nfs/dbraw/zinc/83/60/52/1095836052.db2.gz LIFZGWFOVDWQHP-BLLLJJGKSA-N 0 0 322.399 3.119 20 10 DGCDRN [O-]c1c(CN2CC[C@H]3[C@@H]2CC[N@@H+]3C2CCCC2)ccc(F)c1F ZINC001276856892 1095837114 /nfs/dbraw/zinc/83/71/14/1095837114.db2.gz MXJMPOAZNXOVMX-HOTGVXAUSA-N 0 0 322.399 3.262 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2cccc(F)c2[O-])CCC[C@]1(O)C(F)(F)F ZINC001138122678 1095896161 /nfs/dbraw/zinc/89/61/61/1095896161.db2.gz UMUHVDMDANYVIL-QMTHXVAHSA-N 0 0 321.314 3.057 20 10 DGCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@H]1COCc1ccccc1 ZINC001138127776 1095899798 /nfs/dbraw/zinc/89/97/98/1095899798.db2.gz PIEWJHZLLJXKCH-INIZCTEOSA-N 0 0 301.361 3.322 20 10 DGCDRN [O-]c1c(F)cccc1C[N@H+](Cc1cccnc1)C1CCOCC1 ZINC001138127446 1095900373 /nfs/dbraw/zinc/90/03/73/1095900373.db2.gz BUPHUCZANLEQFA-UHFFFAOYSA-N 0 0 316.376 3.108 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)[C@@H]1C[C@H]1C(F)(F)F ZINC001117884460 1095901876 /nfs/dbraw/zinc/90/18/76/1095901876.db2.gz LKLOMOZBPZAAHG-RFZPGFLSSA-N 0 0 305.643 3.013 20 10 DGCDRN Cc1c(N)c(C(=O)NCc2cc(Cl)ccc2O)ccc1F ZINC001146246394 1096004174 /nfs/dbraw/zinc/00/41/74/1096004174.db2.gz AHYFOLAHHPHXJI-UHFFFAOYSA-N 0 0 308.740 3.005 20 10 DGCDRN C[C@@H](Sc1ccccn1)C(=O)NCc1cc(Cl)ccc1O ZINC001146232392 1096008726 /nfs/dbraw/zinc/00/87/26/1096008726.db2.gz KLTPPHJUSAZHIH-SNVBAGLBSA-N 0 0 322.817 3.238 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N(C)C[C@H]2CC2(C)C)cc1F ZINC001118530522 1096027930 /nfs/dbraw/zinc/02/79/30/1096027930.db2.gz QBVCXBOQTGINHI-CYBMUJFWSA-N 0 0 307.413 3.079 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1CC[C@@H](C2CCC2)C1 ZINC001340903208 1096064816 /nfs/dbraw/zinc/06/48/16/1096064816.db2.gz NGQMQMSKFGBPPO-GFCCVEGCSA-N 0 0 318.446 3.359 20 10 DGCDRN COc1cccc([C@H](C)NC(=O)NCc2c(O)cccc2F)c1 ZINC001224159451 1096149892 /nfs/dbraw/zinc/14/98/92/1096149892.db2.gz GDVSSFRYLGWQJR-NSHDSACASA-N 0 0 318.348 3.100 20 10 DGCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)c1ccco1 ZINC001147082662 1096165218 /nfs/dbraw/zinc/16/52/18/1096165218.db2.gz MUQAIVWFLPPWFQ-XJLOQFNLSA-N 0 0 307.313 3.247 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2CCc3c2cccc3F)c1 ZINC001119323371 1096167023 /nfs/dbraw/zinc/16/70/23/1096167023.db2.gz YSRZVPKYVSABCO-INIZCTEOSA-N 0 0 314.360 3.326 20 10 DGCDRN Cc1cc([C@@H](C)NC(=O)NCc2c(O)cccc2F)c(C)o1 ZINC001341416594 1096172006 /nfs/dbraw/zinc/17/20/06/1096172006.db2.gz YVAIIRFCMSEFEO-SNVBAGLBSA-N 0 0 306.337 3.302 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cc3cc(O)ccc3nc2C)c1 ZINC001147961934 1096297891 /nfs/dbraw/zinc/29/78/91/1096297891.db2.gz KELGVWBRYDVRKU-UHFFFAOYSA-N 0 0 322.364 3.193 20 10 DGCDRN O=C(Nc1ccccc1-c1nccs1)c1cccc(O)c1O ZINC001148219175 1096328335 /nfs/dbraw/zinc/32/83/35/1096328335.db2.gz VTLFNHHDKHEWSQ-UHFFFAOYSA-N 0 0 312.350 3.474 20 10 DGCDRN Cc1[nH]c2c(cccc2NC(=O)c2cc(O)c(O)c(O)c2)c1C ZINC001148585898 1096407225 /nfs/dbraw/zinc/40/72/25/1096407225.db2.gz DBCCJYBCUPDJGN-UHFFFAOYSA-N 0 0 312.325 3.154 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2ccc(-c3ncc[nH]3)cc2)c(O)c1 ZINC001148722928 1096428248 /nfs/dbraw/zinc/42/82/48/1096428248.db2.gz BHVMQVXODDNLSZ-UHFFFAOYSA-N 0 0 321.380 3.329 20 10 DGCDRN Cn1ccc2ncnc(NCc3cc4ccccc4cc3O)c21 ZINC001171400575 1096666110 /nfs/dbraw/zinc/66/61/10/1096666110.db2.gz VRRXIFHGQPIIRR-UHFFFAOYSA-N 0 0 304.353 3.439 20 10 DGCDRN CN1Cc2cc(NCc3cc4ccccc4cc3O)cnc2C1=O ZINC001171405262 1096676567 /nfs/dbraw/zinc/67/65/67/1096676567.db2.gz SZULWUZHCWFKDB-UHFFFAOYSA-N 0 0 319.364 3.138 20 10 DGCDRN CCOC(=O)c1ncncc1NCc1cc2ccccc2cc1O ZINC001171407864 1096680090 /nfs/dbraw/zinc/68/00/90/1096680090.db2.gz XQYTVGDUOIQNEY-UHFFFAOYSA-N 0 0 323.352 3.124 20 10 DGCDRN CC(C)(C)[C@H]1CC[C@@H](Oc2c(O)c(O)c(O)c(O)c2O)CC1 ZINC001226469917 1096696990 /nfs/dbraw/zinc/69/69/90/1096696990.db2.gz ZJUBSPSNRHDSOJ-DTORHVGOSA-N 0 0 312.362 3.198 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)CC1CCC1 ZINC001227355553 1096920475 /nfs/dbraw/zinc/92/04/75/1096920475.db2.gz LBRLOQBWQZZDFV-AWEZNQCLSA-N 0 0 303.450 3.439 20 10 DGCDRN COCC(COC)OC1=CC(=O)C=CC1=NNc1ccccn1 ZINC001227489201 1096940158 /nfs/dbraw/zinc/94/01/58/1096940158.db2.gz KYOWEIYAZXDSND-VHEBQXMUSA-N 0 0 317.345 3.243 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1N)c1ccccc1O ZINC001171722966 1096954491 /nfs/dbraw/zinc/95/44/91/1096954491.db2.gz IBACXVCSTCYTIY-SECBINFHSA-N 0 0 324.302 3.484 20 10 DGCDRN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1ccccc1O ZINC001171729656 1096957078 /nfs/dbraw/zinc/95/70/78/1096957078.db2.gz FVKHAEFFMDXKIN-NSHDSACASA-N 0 0 300.314 3.100 20 10 DGCDRN CC[C@@H](COc1c(O)c(O)ccc1C(=O)c1ccccc1)OC ZINC001227939907 1097017462 /nfs/dbraw/zinc/01/74/62/1097017462.db2.gz FUHNWIAFDBQRJJ-ZDUSSCGKSA-N 0 0 316.353 3.133 20 10 DGCDRN O=C1c2ccccc2C(=O)c2c(O[C@H]3CCCOC3)cccc21 ZINC001228072597 1097045014 /nfs/dbraw/zinc/04/50/14/1097045014.db2.gz CNOYZZBJRJWPIW-LBPRGKRZSA-N 0 0 308.333 3.020 20 10 DGCDRN O=C(c1ccc(O)cc1)c1ccc(O)c(O)c1OC1CC=CC1 ZINC001228114647 1097053695 /nfs/dbraw/zinc/05/36/95/1097053695.db2.gz JLEQXBNVLCTBHQ-UHFFFAOYSA-N 0 0 312.321 3.132 20 10 DGCDRN CC(=O)N1CCN(c2ccc(OC3CCCCCC3)cc2)CC1 ZINC001228200588 1097071995 /nfs/dbraw/zinc/07/19/95/1097071995.db2.gz IBIYZRYPBHRSTP-UHFFFAOYSA-N 0 0 316.445 3.457 20 10 DGCDRN Fc1ccc(F)c(-c2noc(-c3nnsc3C3CC3)n2)c1 ZINC001212679653 1097227777 /nfs/dbraw/zinc/22/77/77/1097227777.db2.gz NGWYOTSEEOYOQD-UHFFFAOYSA-N 0 0 306.297 3.411 20 10 DGCDRN Cc1cc(-c2noc(-c3nnsc3C(C)C)n2)cnc1C ZINC001212687335 1097259928 /nfs/dbraw/zinc/25/99/28/1097259928.db2.gz NTZQSBZKYQMKEU-UHFFFAOYSA-N 0 0 301.375 3.390 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CNc2ccccc21 ZINC000325298920 1097438210 /nfs/dbraw/zinc/43/82/10/1097438210.db2.gz VAXOHPSTPRNANC-SFHVURJKSA-N 0 0 323.440 3.310 20 10 DGCDRN NC(=O)c1ccc(N(c2ccc(N)cc2)c2ccc(N)cc2)cc1 ZINC001174051453 1097582645 /nfs/dbraw/zinc/58/26/45/1097582645.db2.gz QYQBRMXPYIZHCA-UHFFFAOYSA-N 0 0 318.380 3.420 20 10 DGCDRN COc1cncc(-n2c(=N)ccc(/N=N/c3ccccc3)c2N)c1 ZINC001174088976 1097614114 /nfs/dbraw/zinc/61/41/14/1097614114.db2.gz LAFZXKZXSGEIEI-QNUODCBWSA-N 0 0 320.356 3.358 20 10 DGCDRN Cc1nn(C)cc1Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001174334456 1097680365 /nfs/dbraw/zinc/68/03/65/1097680365.db2.gz FGJRAADPDLLQEN-UHFFFAOYSA-N 0 0 317.348 3.248 20 10 DGCDRN Cn1cc(Nc2cccc3c2C(=O)c2ccccc2-3)ccc1=O ZINC001174359239 1097695204 /nfs/dbraw/zinc/69/52/04/1097695204.db2.gz IYZAJDIJGFHQFX-UHFFFAOYSA-N 0 0 302.333 3.340 20 10 DGCDRN CO[C@H](C)CCOc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001231265448 1097707995 /nfs/dbraw/zinc/70/79/95/1097707995.db2.gz FWWCAWOYAKRPDK-GFCCVEGCSA-N 0 0 310.349 3.266 20 10 DGCDRN C[C@H](O)C(=O)Oc1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1 ZINC001231295984 1097714681 /nfs/dbraw/zinc/71/46/81/1097714681.db2.gz APCWDRHAMODWSE-VXFCLOCWSA-N 0 0 315.285 3.296 20 10 DGCDRN CN(c1ccc(N)cc1)C1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001174442550 1097717971 /nfs/dbraw/zinc/71/79/71/1097717971.db2.gz OMXDKRCFNOSVEE-UHFFFAOYSA-N 0 0 303.406 3.230 20 10 DGCDRN O=C([O-])c1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2cccs2)c1 ZINC001231564802 1097779971 /nfs/dbraw/zinc/77/99/71/1097779971.db2.gz YVYZRVHXWQGKON-CYBMUJFWSA-N 0 0 303.383 3.489 20 10 DGCDRN COc1ccc([C@H](C)[N@H+](C)Cc2cc(C(=O)[O-])ccc2O)cc1 ZINC001231565786 1097780165 /nfs/dbraw/zinc/78/01/65/1097780165.db2.gz JZTGQASHEFWRPT-LBPRGKRZSA-N 0 0 315.369 3.292 20 10 DGCDRN CN(Cc1nnc2ccccn21)Cc1c(O)ccc2ccccc21 ZINC001231587037 1097785471 /nfs/dbraw/zinc/78/54/71/1097785471.db2.gz QEWRVOLZEJHCSY-UHFFFAOYSA-N 0 0 318.380 3.220 20 10 DGCDRN CCOC(=O)CN(Cc1ccsc1)Cc1cccc(C)c1O ZINC001231594168 1097787596 /nfs/dbraw/zinc/78/75/96/1097787596.db2.gz UXVGKHLJUCGSDH-UHFFFAOYSA-N 0 0 319.426 3.327 20 10 DGCDRN C[N@H+](Cc1cnc2ccccn12)Cc1cccc(Cl)c1[O-] ZINC001231910888 1097891211 /nfs/dbraw/zinc/89/12/11/1097891211.db2.gz VHIMLSLFZLIEHC-UHFFFAOYSA-N 0 0 301.777 3.325 20 10 DGCDRN CCc1nnc(C2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)o1 ZINC001231912580 1097891300 /nfs/dbraw/zinc/89/13/00/1097891300.db2.gz PIQLIKIVIYGAJD-UHFFFAOYSA-N 0 0 321.808 3.371 20 10 DGCDRN Cc1ccnn1-c1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC001175029661 1097923593 /nfs/dbraw/zinc/92/35/93/1097923593.db2.gz JORDVGANOJRNOK-UHFFFAOYSA-N 0 0 319.364 3.042 20 10 DGCDRN O=C1c2ccccc2C(=O)c2cc(Nc3ccncc3F)ccc21 ZINC001175199133 1097963812 /nfs/dbraw/zinc/96/38/12/1097963812.db2.gz TWBSIKSXXSTJPN-UHFFFAOYSA-N 0 0 318.307 3.162 20 10 DGCDRN Cc1nc2c(s1)CN(Cc1cc(Cl)c(O)cc1O)CC2 ZINC001232264349 1097984379 /nfs/dbraw/zinc/98/43/79/1097984379.db2.gz AHRCSDHRUGHSDW-UHFFFAOYSA-N 0 0 310.806 3.074 20 10 DGCDRN COc1cc(O)c(CN2CCC(=O)[C@@H]3CCCC[C@@H]32)cc1Cl ZINC001232266958 1097986463 /nfs/dbraw/zinc/98/64/63/1097986463.db2.gz TWDYVTAGRBOMHC-OCCSQVGLSA-N 0 0 323.820 3.388 20 10 DGCDRN COC(=O)c1c(CN2Cc3ccccc3C2)c2ccccc2n1C ZINC001232402058 1098028964 /nfs/dbraw/zinc/02/89/64/1098028964.db2.gz SDSVTPSXAFTXPF-UHFFFAOYSA-N 0 0 320.392 3.481 20 10 DGCDRN CCCOc1cccc(N(c2ccc(N)cc2)S(C)(=O)=O)c1 ZINC001175599369 1098094089 /nfs/dbraw/zinc/09/40/89/1098094089.db2.gz CKRHMJCFKIOGMB-UHFFFAOYSA-N 0 0 320.414 3.155 20 10 DGCDRN Oc1cc(CN2CCc3c4ccccc4oc3C2)cc(O)c1O ZINC001233015540 1098203940 /nfs/dbraw/zinc/20/39/40/1098203940.db2.gz RJJZKNHDYSHLPM-UHFFFAOYSA-N 0 0 311.337 3.108 20 10 DGCDRN [O-]c1cc(Br)cc(F)c1C[N@@H+]1CCC[C@H](CF)C1 ZINC001233032306 1098208144 /nfs/dbraw/zinc/20/81/44/1098208144.db2.gz ZDNPWSHSGDGPKE-SECBINFHSA-N 0 0 320.177 3.475 20 10 DGCDRN [O-]c1c(C[N@@H+]2CCC[C@H](Oc3ccncc3)C2)ccc(F)c1F ZINC001233080201 1098221493 /nfs/dbraw/zinc/22/14/93/1098221493.db2.gz SECOVHYJSCGRJP-AWEZNQCLSA-N 0 0 320.339 3.109 20 10 DGCDRN COc1ccc(N2CCN(Cc3ccc(C)c(O)c3)CC2)cc1 ZINC001233231330 1098258540 /nfs/dbraw/zinc/25/85/40/1098258540.db2.gz UFQIZXIOZGOOHL-UHFFFAOYSA-N 0 0 312.413 3.031 20 10 DGCDRN CC(C)(C)c1ccc(O)c(CN2CC(F)(F)CC[C@@H]2CO)c1 ZINC001233284194 1098274999 /nfs/dbraw/zinc/27/49/99/1098274999.db2.gz LVNZECSLXPWACU-CQSZACIVSA-N 0 0 313.388 3.282 20 10 DGCDRN CC(C)(C)c1ccc(O)c(CN2CC3(C2)CC(F)(F)CO3)c1 ZINC001233286779 1098276418 /nfs/dbraw/zinc/27/64/18/1098276418.db2.gz IUCVJBOBCAQTEA-UHFFFAOYSA-N 0 0 311.372 3.300 20 10 DGCDRN COc1cc(Cl)cc(CN2CCC[C@@H]2c2cnccn2)c1O ZINC001233289828 1098278190 /nfs/dbraw/zinc/27/81/90/1098278190.db2.gz QUSPDCPNTZYWON-CQSZACIVSA-N 0 0 319.792 3.181 20 10 DGCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001233334566 1098293277 /nfs/dbraw/zinc/29/32/77/1098293277.db2.gz LYCJCACPLODIKT-CYBMUJFWSA-N 0 0 323.314 3.463 20 10 DGCDRN C[C@H]1C(=O)CCN(Cc2c(O)ccc(F)c2F)C12CCCC2 ZINC001233336363 1098293739 /nfs/dbraw/zinc/29/37/39/1098293739.db2.gz JJELYBJEPGHTKW-NSHDSACASA-N 0 0 309.356 3.394 20 10 DGCDRN C[N@@H+](Cc1c([O-])ccc(F)c1F)C[C@@H]1Cc2ccccc2O1 ZINC001233336325 1098294614 /nfs/dbraw/zinc/29/46/14/1098294614.db2.gz HRVDEFMDICRAIO-LBPRGKRZSA-N 0 0 305.324 3.106 20 10 DGCDRN C[C@H]1C[C@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3[O-])CC[C@H]2O1 ZINC001233416684 1098322874 /nfs/dbraw/zinc/32/28/74/1098322874.db2.gz RKXGEPOLOVQNQB-VHRBIJSZSA-N 0 0 315.335 3.410 20 10 DGCDRN [O-]c1c(C[N@H+]2CCC[C@](O)(CF)CC2)cccc1C(F)(F)F ZINC001233415973 1098323687 /nfs/dbraw/zinc/32/36/87/1098323687.db2.gz QIDKXJWUUIWILJ-CQSZACIVSA-N 0 0 321.314 3.098 20 10 DGCDRN C[C@]1(O)CCC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233415643 1098323770 /nfs/dbraw/zinc/32/37/70/1098323770.db2.gz DGHVVVDJZOGZKL-AWEZNQCLSA-N 0 0 303.324 3.148 20 10 DGCDRN O=c1[nH]ccc2c1CC[N@@H+](Cc1cccc(C(F)(F)F)c1[O-])C2 ZINC001233418960 1098325468 /nfs/dbraw/zinc/32/54/68/1098325468.db2.gz DGDGMDNFTCBJCQ-UHFFFAOYSA-N 0 0 324.302 3.070 20 10 DGCDRN O=C1CCC[C@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3[O-])C[C@H]12 ZINC001233419641 1098326329 /nfs/dbraw/zinc/32/63/29/1098326329.db2.gz HHIGLGRWHPUSFM-JQWIXIFHSA-N 0 0 313.319 3.212 20 10 DGCDRN CCOC(=O)[C@@H]1CC[C@H](Oc2ccc3c(c2)CCN3CC)C1 ZINC001233601747 1098386495 /nfs/dbraw/zinc/38/64/95/1098386495.db2.gz MNIFDCBYOLAYBN-CABCVRRESA-N 0 0 303.402 3.180 20 10 DGCDRN C[C@H](CC(=O)NCc1cccc(O)c1O)c1cccc(F)c1 ZINC001176564505 1098387655 /nfs/dbraw/zinc/38/76/55/1098387655.db2.gz BJEOAYLLNPJTNX-LLVKDONJSA-N 0 0 303.333 3.047 20 10 DGCDRN C[C@@H](CC(=O)NCc1cccc(O)c1O)c1ccc(F)cc1F ZINC001176566460 1098388389 /nfs/dbraw/zinc/38/83/89/1098388389.db2.gz XKNLAKWUWDRIGP-JTQLQIEISA-N 0 0 321.323 3.186 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1cc(-c2ccccc2)ccn1 ZINC001176575871 1098391306 /nfs/dbraw/zinc/39/13/06/1098391306.db2.gz CZGKHLUFLXZVDD-UHFFFAOYSA-N 0 0 320.348 3.090 20 10 DGCDRN Oc1c(CN2CC(F)(C3CC3)C2)cccc1OC(F)(F)F ZINC001233727687 1098416656 /nfs/dbraw/zinc/41/66/56/1098416656.db2.gz OGNXCMSQRRGTFH-UHFFFAOYSA-N 0 0 305.271 3.225 20 10 DGCDRN CN(C)c1ccnc(Cl)c1CN1CCc2cccc(O)c2C1 ZINC001234150115 1098504653 /nfs/dbraw/zinc/50/46/53/1098504653.db2.gz GQKVBXFCVUZZBY-UHFFFAOYSA-N 0 0 317.820 3.065 20 10 DGCDRN Cc1cc(CNC(=O)N2CCCCO2)c(C)n1-c1ccccc1 ZINC001234337416 1098538663 /nfs/dbraw/zinc/53/86/63/1098538663.db2.gz QDMHSIYUILQBKJ-UHFFFAOYSA-N 0 0 313.401 3.331 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1O[C@H](CC(C)C)C(=O)OC(C)C ZINC001234473881 1098563936 /nfs/dbraw/zinc/56/39/36/1098563936.db2.gz LIBJKZYUQPQPSD-MRXNPFEDSA-N 0 0 324.373 3.046 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H](C)c1cnc2ccccn21 ZINC001234473408 1098564339 /nfs/dbraw/zinc/56/43/39/1098564339.db2.gz GIXQGWHYQWNBKG-NSHDSACASA-N 0 0 312.325 3.088 20 10 DGCDRN COc1ccc([C@@H](C)Oc2cc(O)c(O)cc2C(C)=O)cc1 ZINC001234473345 1098564928 /nfs/dbraw/zinc/56/49/28/1098564928.db2.gz DQXWIINXYOARPI-LLVKDONJSA-N 0 0 302.326 3.449 20 10 DGCDRN Cc1cc(C)c(CNC(=O)C(C)(C)c2ncccc2F)c(O)c1 ZINC001178090237 1098717575 /nfs/dbraw/zinc/71/75/75/1098717575.db2.gz RXFJPEPAFQTAPF-UHFFFAOYSA-N 0 0 316.376 3.137 20 10 DGCDRN Cc1cc(C)c(CNC(=O)C2(c3ncccc3C)CC2)c(O)c1 ZINC001178209374 1098747793 /nfs/dbraw/zinc/74/77/93/1098747793.db2.gz DNQZKIANUZEYPD-UHFFFAOYSA-N 0 0 310.397 3.060 20 10 DGCDRN Oc1cc(Cl)c(Cl)cc1CN1CCC[C@]12CC[NH2+]C2 ZINC001235108635 1098808218 /nfs/dbraw/zinc/80/82/18/1098808218.db2.gz BVUACWLEUFNTCU-CQSZACIVSA-N 0 0 301.217 3.027 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1ccccc1Br ZINC001178409241 1098826047 /nfs/dbraw/zinc/82/60/47/1098826047.db2.gz BMVVYMYAEGMMLJ-UHFFFAOYSA-N 0 0 324.149 3.224 20 10 DGCDRN Cc1cc(C)c(CNC(=O)Cc2cccc(C(C)C)n2)c(O)c1 ZINC001178453063 1098837078 /nfs/dbraw/zinc/83/70/78/1098837078.db2.gz XSFHSFPXWRIXPL-UHFFFAOYSA-N 0 0 312.413 3.386 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1cc2cc(Cl)ccc2[nH]1 ZINC001178911034 1098969058 /nfs/dbraw/zinc/96/90/58/1098969058.db2.gz JNILPEBWQKQHJU-UHFFFAOYSA-N 0 0 316.744 3.163 20 10 DGCDRN O=C(NCc1c(O)cccc1O)[C@H]1CCc2c1cccc2Cl ZINC001178912302 1098969663 /nfs/dbraw/zinc/96/96/63/1098969663.db2.gz RKVNSIGDODVRPZ-LBPRGKRZSA-N 0 0 317.772 3.097 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1-c1cnco1 ZINC001179687145 1099163504 /nfs/dbraw/zinc/16/35/04/1099163504.db2.gz CDPXIJMKTFSHKD-SOFGYWHQSA-N 0 0 322.320 3.405 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCc1sccc1Cl ZINC001179691403 1099165496 /nfs/dbraw/zinc/16/54/96/1099165496.db2.gz NFACNZCRZNDGBR-DUXPYHPUSA-N 0 0 309.774 3.142 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(C(F)F)nc1 ZINC001179683164 1099176288 /nfs/dbraw/zinc/17/62/88/1099176288.db2.gz KATHPODLILDXPT-QHHAFSJGSA-N 0 0 306.268 3.082 20 10 DGCDRN Cc1ccc(Cl)c(CC(=O)NCc2ccccc2O)c1F ZINC001179975938 1099262838 /nfs/dbraw/zinc/26/28/38/1099262838.db2.gz DASKQUWDUQAAIF-UHFFFAOYSA-N 0 0 307.752 3.352 20 10 DGCDRN COc1cc(C)c(CN2CCOC[C@H]2c2ccccc2)c(O)c1 ZINC001180059304 1099296552 /nfs/dbraw/zinc/29/65/52/1099296552.db2.gz WWCBIHFLLZSMOR-SFHVURJKSA-N 0 0 313.397 3.283 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)N[C@@H]2CCCC(F)(F)C2)cc1 ZINC001180129714 1099308097 /nfs/dbraw/zinc/30/80/97/1099308097.db2.gz DAMZJVKLGBPIAD-DNGMOHDESA-N 0 0 308.372 3.460 20 10 DGCDRN Cc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(N(C)C)cc2)nc1 ZINC001180130007 1099308799 /nfs/dbraw/zinc/30/87/99/1099308799.db2.gz QTBASQDPAKVWFR-INDWDQIESA-N 0 0 309.413 3.347 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)Nc2cccn3nccc23)cc1 ZINC001180123000 1099321929 /nfs/dbraw/zinc/32/19/29/1099321929.db2.gz JFFGBSBPXZEGLE-JXMROGBWSA-N 0 0 306.369 3.052 20 10 DGCDRN COc1ccccc1/C=C/C(=O)NCc1c(C)cc(C)cc1O ZINC001180532415 1099441512 /nfs/dbraw/zinc/44/15/12/1099441512.db2.gz WWWNVBOETBZQBT-CMDGGOBGSA-N 0 0 311.381 3.347 20 10 DGCDRN Nc1ccc(CN2CCOC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC001236181365 1099450484 /nfs/dbraw/zinc/45/04/84/1099450484.db2.gz IWIOPKDVSJYSAA-QGZVFWFLSA-N 0 0 302.805 3.496 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1ccc(O)c(F)c1F ZINC001180646727 1099482244 /nfs/dbraw/zinc/48/22/44/1099482244.db2.gz PJSLPWHAZHSGKG-UHFFFAOYSA-N 0 0 320.339 3.135 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)COCC(C)C ZINC001180755460 1099499850 /nfs/dbraw/zinc/49/98/50/1099499850.db2.gz HPOKKAIASJQMHC-SFHVURJKSA-N 0 0 319.445 3.421 20 10 DGCDRN Cc1ccccc1-c1cc(C(=O)NCc2ccccc2O)[nH]n1 ZINC001187977170 1099646329 /nfs/dbraw/zinc/64/63/29/1099646329.db2.gz AEYYHXFAHRNRCF-UHFFFAOYSA-N 0 0 307.353 3.021 20 10 DGCDRN Cc1c(C)n(Cc2ccco2)c2ncnc(-c3cncc(O)c3)c12 ZINC001236579309 1099688823 /nfs/dbraw/zinc/68/88/23/1099688823.db2.gz XVUMHFKPEWCCGQ-UHFFFAOYSA-N 0 0 320.352 3.457 20 10 DGCDRN CCC[N@H+](CCOC)Cc1cc(C)cc(Br)c1[O-] ZINC001236673810 1099737101 /nfs/dbraw/zinc/73/71/01/1099737101.db2.gz OUNWUIRJSGVKHO-UHFFFAOYSA-N 0 0 316.239 3.322 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c1 ZINC001236666719 1099732506 /nfs/dbraw/zinc/73/25/06/1099732506.db2.gz UPGDYJJROGVPST-XHVZSJERSA-N 0 0 314.198 3.395 20 10 DGCDRN CN1CCC([N@H+](C)Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236793606 1099787559 /nfs/dbraw/zinc/78/75/59/1099787559.db2.gz MEEYQLIDXPVJSE-UHFFFAOYSA-N 0 0 303.233 3.225 20 10 DGCDRN COc1ccc(NC(=O)NCc2ccc(O)cc2O)cc1Cl ZINC001188484671 1099769295 /nfs/dbraw/zinc/76/92/95/1099769295.db2.gz NKHSAGSSMJMMBM-UHFFFAOYSA-N 0 0 322.748 3.082 20 10 DGCDRN COc1cc(CN2CCC(F)CC2)c(O)cc1Br ZINC001236745427 1099770351 /nfs/dbraw/zinc/77/03/51/1099770351.db2.gz OQVIECATODSSEZ-UHFFFAOYSA-N 0 0 318.186 3.097 20 10 DGCDRN [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001236793585 1099787296 /nfs/dbraw/zinc/78/72/96/1099787296.db2.gz LPLCBZHOGRDYGA-KOLCDFICSA-N 0 0 302.201 3.167 20 10 DGCDRN C[C@]1(O)CCC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236794984 1099792010 /nfs/dbraw/zinc/79/20/10/1099792010.db2.gz YWGNMUILFHPGCP-AWEZNQCLSA-N 0 0 304.217 3.436 20 10 DGCDRN COc1cc(O)c(CN2CCC[C@H]2c2cnccn2)c(Cl)c1 ZINC001236800867 1099793472 /nfs/dbraw/zinc/79/34/72/1099793472.db2.gz BWJGHEYWBFUBPJ-HNNXBMFYSA-N 0 0 319.792 3.181 20 10 DGCDRN [O-]c1cc(Cl)c(Cl)cc1C[NH+]1CCC2(CCO2)CC1 ZINC001236799583 1099794267 /nfs/dbraw/zinc/79/42/67/1099794267.db2.gz PDHNPMWTDVZLIY-UHFFFAOYSA-N 0 0 302.201 3.454 20 10 DGCDRN COc1ccc(C[N@@H+]2CC[C@]3(C2)CCCOC3)c([O-])c1Cl ZINC001236807835 1099800788 /nfs/dbraw/zinc/80/07/88/1099800788.db2.gz SQVKWOFESYYASY-INIZCTEOSA-N 0 0 311.809 3.057 20 10 DGCDRN CCCN(CC(=O)OCC)Cc1cc2ccccc2cc1O ZINC001236837769 1099824546 /nfs/dbraw/zinc/82/45/46/1099824546.db2.gz UJQBZLJJRSGWTH-UHFFFAOYSA-N 0 0 301.386 3.321 20 10 DGCDRN CN(Cc1ccc(N2CCOCC2)cc1Cl)CC(F)(F)F ZINC001236929076 1099880077 /nfs/dbraw/zinc/88/00/77/1099880077.db2.gz NTQLRBFPAPCOSM-UHFFFAOYSA-N 0 0 322.758 3.171 20 10 DGCDRN CCOc1ccc(CN2Cc3cnc(Cl)cc3C2)c(O)c1 ZINC001237047235 1099941627 /nfs/dbraw/zinc/94/16/27/1099941627.db2.gz JZOQWIFGQZPXCU-UHFFFAOYSA-N 0 0 304.777 3.355 20 10 DGCDRN CC(C)[C@H]1CN(Cc2cc(C(F)(F)F)ccc2O)CCO1 ZINC001237138981 1099988578 /nfs/dbraw/zinc/98/85/78/1099988578.db2.gz ARXWDOQXDLSAKH-CQSZACIVSA-N 0 0 303.324 3.268 20 10 DGCDRN Oc1ccc(C(F)(F)F)cc1CN1CC(Oc2cccnc2)C1 ZINC001237139688 1099988740 /nfs/dbraw/zinc/98/87/40/1099988740.db2.gz NRYJZPACALNEPB-UHFFFAOYSA-N 0 0 324.302 3.069 20 10 DGCDRN CC[N@H+](Cc1cc(C(F)(F)F)ccc1O)C1CCOCC1 ZINC001237140186 1099989590 /nfs/dbraw/zinc/98/95/90/1099989590.db2.gz XZBCPUFPGGAUOW-UHFFFAOYSA-N 0 0 303.324 3.412 20 10 DGCDRN Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CCC[C@]12CCOC2 ZINC001237139495 1099989947 /nfs/dbraw/zinc/98/99/47/1099989947.db2.gz GOMXGPUMQCLDGM-CQSZACIVSA-N 0 0 301.308 3.166 20 10 DGCDRN Oc1ccc(C(F)(F)F)cc1CN1CC2(C1)CC(F)(F)CO2 ZINC001237143763 1099992708 /nfs/dbraw/zinc/99/27/08/1099992708.db2.gz MDAKYHZZDWUNPK-UHFFFAOYSA-N 0 0 323.261 3.021 20 10 DGCDRN CC[N@@H+](Cc1ccc(Br)cc1O)C[C@H](C)OC ZINC000691681982 1100017361 /nfs/dbraw/zinc/01/73/61/1100017361.db2.gz ZZEMAENAZRJSGE-JTQLQIEISA-N 0 0 302.212 3.012 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccn2ccnc2c1 ZINC000156716888 1100018190 /nfs/dbraw/zinc/01/81/90/1100018190.db2.gz SEFYZWZOZXNUIJ-UHFFFAOYSA-N 0 0 322.412 3.063 20 10 DGCDRN Cc1cccc(O)c1C[N@@H+]1CCC[C@H]1CC(=O)OC(C)(C)C ZINC001237489680 1100140852 /nfs/dbraw/zinc/14/08/52/1100140852.db2.gz CXHAPTPBKRYBES-AWEZNQCLSA-N 0 0 305.418 3.397 20 10 DGCDRN CCOC(=O)C1(CC)CC[NH+](Cc2c(C)cccc2O)CC1 ZINC001237495733 1100146037 /nfs/dbraw/zinc/14/60/37/1100146037.db2.gz UWKPWQFGSHIYOL-UHFFFAOYSA-N 0 0 305.418 3.256 20 10 DGCDRN CO[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)cc(F)c3[O-])C[C@@H]21 ZINC001237618567 1100189732 /nfs/dbraw/zinc/18/97/32/1100189732.db2.gz IWMOJTXJDFNVMG-RIEGTJTDSA-N 0 0 313.800 3.432 20 10 DGCDRN C[N@H+](Cc1cnc2ccccn12)Cc1cc(Cl)cc(F)c1[O-] ZINC001237617121 1100190456 /nfs/dbraw/zinc/19/04/56/1100190456.db2.gz KWJCUOJQUREPQY-UHFFFAOYSA-N 0 0 319.767 3.464 20 10 DGCDRN C[C@]1(CO)CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001237616798 1100190853 /nfs/dbraw/zinc/19/08/53/1100190853.db2.gz HPHJTTDEVCUADX-HNNXBMFYSA-N 0 0 301.789 3.169 20 10 DGCDRN COc1cc(C[N@@H+]2Cc3ccccc3C[C@H]2C)c(O)c(OC)c1 ZINC001237681631 1100211717 /nfs/dbraw/zinc/21/17/17/1100211717.db2.gz RCKJMHODRYWQAW-CYBMUJFWSA-N 0 0 313.397 3.356 20 10 DGCDRN Cc1cc(Cl)cc(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c1O ZINC001237681714 1100211855 /nfs/dbraw/zinc/21/18/55/1100211855.db2.gz PWJIRCHSMQTQRX-ZDUSSCGKSA-N 0 0 323.742 3.101 20 10 DGCDRN Cc1cc(Cl)cc(CN2CCO[C@H](c3ccncc3)C2)c1O ZINC001237688848 1100214493 /nfs/dbraw/zinc/21/44/93/1100214493.db2.gz JVBLNDHWIQVAFM-INIZCTEOSA-N 0 0 318.804 3.323 20 10 DGCDRN Cc1cc(Cl)cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)c1O ZINC001237687194 1100214806 /nfs/dbraw/zinc/21/48/06/1100214806.db2.gz VBCDWQFWKYZPED-TXEJJXNPSA-N 0 0 317.763 3.068 20 10 DGCDRN COCc1noc2c1CN(Cc1cc(Cl)cc(C)c1O)CC2 ZINC001237683337 1100214972 /nfs/dbraw/zinc/21/49/72/1100214972.db2.gz FTULGKZJXOPOPX-UHFFFAOYSA-N 0 0 322.792 3.047 20 10 DGCDRN C[N@@H+]1CCN(Cc2cc(F)cc(Cl)c2[O-])C2(CCCC2)C1 ZINC001237800896 1100251612 /nfs/dbraw/zinc/25/16/12/1100251612.db2.gz DFXADUXYZMBWAQ-UHFFFAOYSA-N 0 0 312.816 3.245 20 10 DGCDRN [O-]c1c(Cl)cc(F)cc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC001237799536 1100251954 /nfs/dbraw/zinc/25/19/54/1100251954.db2.gz RLXRBTCEWFLMFL-AWEZNQCLSA-N 0 0 312.816 3.245 20 10 DGCDRN CCc1ncc(CN2CCCc3cc(O)c(O)cc3C2)s1 ZINC001237829158 1100261784 /nfs/dbraw/zinc/26/17/84/1100261784.db2.gz RLJGGTQDUXHTQL-UHFFFAOYSA-N 0 0 304.415 3.065 20 10 DGCDRN Oc1cc(Cl)c(F)cc1CN1CC2(C1)C[C@@H](F)CS2 ZINC001237950176 1100301000 /nfs/dbraw/zinc/30/10/00/1100301000.db2.gz QUKHXHHUPOLNHI-SECBINFHSA-N 0 0 305.777 3.214 20 10 DGCDRN CCN(CC(=O)OC(C)(C)C)Cc1cc(F)c(Cl)cc1O ZINC001237948699 1100301110 /nfs/dbraw/zinc/30/11/10/1100301110.db2.gz GSYPGVQSVVENOI-UHFFFAOYSA-N 0 0 317.788 3.348 20 10 DGCDRN Cc1cc(F)cc(CN2CCOC[C@@H]2c2ccccc2)c1O ZINC001238059540 1100346254 /nfs/dbraw/zinc/34/62/54/1100346254.db2.gz DOOMXFLKABRSFZ-QGZVFWFLSA-N 0 0 301.361 3.413 20 10 DGCDRN CCC[N@H+](Cc1cc(F)cc(C)c1O)C1CCN(C(C)=O)CC1 ZINC001238066069 1100347671 /nfs/dbraw/zinc/34/76/71/1100347671.db2.gz DWBFXHJSQVALRZ-UHFFFAOYSA-N 0 0 322.424 3.063 20 10 DGCDRN COC(=O)c1cnc(-c2ccc(C3CC3)nc2)c2ccn(C)c21 ZINC001238850665 1100545463 /nfs/dbraw/zinc/54/54/63/1100545463.db2.gz UZZZYYGTHHKAFL-UHFFFAOYSA-N 0 0 307.353 3.299 20 10 DGCDRN COc1cc(C(=O)N[C@@H]2C[C@H](C)c3ccccc32)cc(O)c1O ZINC001193113749 1100707860 /nfs/dbraw/zinc/70/78/60/1100707860.db2.gz AVSQIYAEWRSTMX-IINYFYTJSA-N 0 0 313.353 3.085 20 10 DGCDRN Cc1c(C)c(NC(=O)c2ccc(O)c(O)c2Cl)ccc1O ZINC001193230582 1100722630 /nfs/dbraw/zinc/72/26/30/1100722630.db2.gz WJFAYOGJMOSKON-UHFFFAOYSA-N 0 0 307.733 3.326 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)Oc1ccc(Cl)cc1 ZINC001194068818 1100863275 /nfs/dbraw/zinc/86/32/75/1100863275.db2.gz HPRXIJQQISRJHZ-UHFFFAOYSA-N 0 0 307.733 3.082 20 10 DGCDRN Cc1nn(C)c(C)c1-c1ccn(Cc2ccc(F)cc2)c(=O)c1 ZINC001240146520 1100878997 /nfs/dbraw/zinc/87/89/97/1100878997.db2.gz ICJFYYPUYSTHMJ-UHFFFAOYSA-N 0 0 311.360 3.053 20 10 DGCDRN O=C(NCc1cc(Br)ccc1O)Oc1ccccc1 ZINC001194271448 1100906104 /nfs/dbraw/zinc/90/61/04/1100906104.db2.gz MDBUYXGTDLVRFX-UHFFFAOYSA-N 0 0 322.158 3.443 20 10 DGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)OCC(C)(C)C ZINC001194371030 1100922260 /nfs/dbraw/zinc/92/22/60/1100922260.db2.gz DPUHPMKNLVAGJQ-UHFFFAOYSA-N 0 0 320.433 3.138 20 10 DGCDRN COc1ccc(Cn2cc(-c3ccnc4c3ccn4C)cn2)cc1 ZINC001240462356 1101008206 /nfs/dbraw/zinc/00/82/06/1101008206.db2.gz CTDJJADOGLKJDB-UHFFFAOYSA-N 0 0 318.380 3.494 20 10 DGCDRN CC[C@@H](C)COC(=O)NCc1cc(Br)ccc1O ZINC001194823543 1101017278 /nfs/dbraw/zinc/01/72/78/1101017278.db2.gz LJBSLEVBEWCMTO-SECBINFHSA-N 0 0 316.195 3.427 20 10 DGCDRN CC[C@H](C)COC(=O)NCc1ccc(Br)cc1O ZINC001194831004 1101019603 /nfs/dbraw/zinc/01/96/03/1101019603.db2.gz QJMZNEVCZFFOHS-VIFPVBQESA-N 0 0 316.195 3.427 20 10 DGCDRN CCOc1ncccc1-c1ccc2cc(C(=O)OC)n(C)c2c1 ZINC001240495043 1101022054 /nfs/dbraw/zinc/02/20/54/1101022054.db2.gz JRWWEZFKMIDGMM-UHFFFAOYSA-N 0 0 310.353 3.426 20 10 DGCDRN CCOc1ncccc1-c1ccn(Cc2ccccc2)c(=O)c1 ZINC001240498352 1101023358 /nfs/dbraw/zinc/02/33/58/1101023358.db2.gz SKJGYGAEEZKVCE-UHFFFAOYSA-N 0 0 306.365 3.357 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)OCCC(C)C)CC2)cc1 ZINC001194869799 1101026123 /nfs/dbraw/zinc/02/61/23/1101026123.db2.gz BUXLXAFUTPCIFM-UHFFFAOYSA-N 0 0 320.433 3.390 20 10 DGCDRN COc1cc(CN(C)c2ccc(-c3nccs3)cc2)on1 ZINC001194993391 1101050427 /nfs/dbraw/zinc/05/04/27/1101050427.db2.gz MFFAZDOEDDLTFP-UHFFFAOYSA-N 0 0 301.371 3.443 20 10 DGCDRN CC(=O)CN(C)C(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195262640 1101107634 /nfs/dbraw/zinc/10/76/34/1101107634.db2.gz QSLZVIBTUUFJDW-VHEBQXMUSA-N 0 0 311.341 3.469 20 10 DGCDRN COc1ccc(NC(=S)NCc2cccc(Cl)n2)cc1 ZINC001195720930 1101188805 /nfs/dbraw/zinc/18/88/05/1101188805.db2.gz RTUDWSLWKNOTEQ-UHFFFAOYSA-N 0 0 307.806 3.230 20 10 DGCDRN Oc1ccccc1CNC(=S)NCc1cccc(Cl)c1 ZINC001195991096 1101239001 /nfs/dbraw/zinc/23/90/01/1101239001.db2.gz OWKWACXIHRAXFJ-UHFFFAOYSA-N 0 0 306.818 3.210 20 10 DGCDRN COc1cccc(NC(=S)NCc2ncccc2Cl)c1 ZINC001196065713 1101241764 /nfs/dbraw/zinc/24/17/64/1101241764.db2.gz DRMKYTSZMLWDBQ-UHFFFAOYSA-N 0 0 307.806 3.230 20 10 DGCDRN O=c1[nH]cccc1-c1ncnc2c1ccn2Cc1ccccc1F ZINC001241107380 1101256963 /nfs/dbraw/zinc/25/69/63/1101256963.db2.gz YMUFQIPFBBODHX-UHFFFAOYSA-N 0 0 320.327 3.386 20 10 DGCDRN COc1ccccc1NC(=S)N[C@H](C)c1ccccc1O ZINC001196269783 1101275377 /nfs/dbraw/zinc/27/53/77/1101275377.db2.gz RRWFYGVXOJBOOF-LLVKDONJSA-N 0 0 302.399 3.448 20 10 DGCDRN O=S(=O)(c1ccc(/N=N/c2ccccc2)cc1)N1CCCO1 ZINC001197154629 1101490669 /nfs/dbraw/zinc/49/06/69/1101490669.db2.gz PGFQOKVAQQUOCC-WUKNDPDISA-N 0 0 317.370 3.428 20 10 DGCDRN O=S(=O)(c1ccc(/N=N/c2ccccc2)cc1)N1CCC1 ZINC001197155449 1101491983 /nfs/dbraw/zinc/49/19/83/1101491983.db2.gz ZECNODBRIXXBCH-WUKNDPDISA-N 0 0 301.371 3.496 20 10 DGCDRN O=C(c1cccnc1-c1cncs1)N1CCc2ccccc21 ZINC001241496784 1101511744 /nfs/dbraw/zinc/51/17/44/1101511744.db2.gz WCHGOQHPKZQZTH-UHFFFAOYSA-N 0 0 307.378 3.408 20 10 DGCDRN CSc1ncc(-c2cc(N3CCc4ccccc43)ncn2)cn1 ZINC001241629006 1101593406 /nfs/dbraw/zinc/59/34/06/1101593406.db2.gz VPIOLBNURVVWHG-UHFFFAOYSA-N 0 0 321.409 3.350 20 10 DGCDRN CSc1ccc(-c2ccn(Cc3ccccn3)c(=O)c2)cn1 ZINC001241636743 1101596782 /nfs/dbraw/zinc/59/67/82/1101596782.db2.gz LTMIUPYFKDXMAJ-UHFFFAOYSA-N 0 0 309.394 3.076 20 10 DGCDRN O=S(=O)(Cc1ccc(Cl)c(F)c1)Nc1ccc(O)cc1 ZINC001197637123 1101634702 /nfs/dbraw/zinc/63/47/02/1101634702.db2.gz XLMHLBXNEBNHQV-UHFFFAOYSA-N 0 0 315.753 3.127 20 10 DGCDRN Cn1ccc2c1cccc2-c1cccn(-c2cccnc2)c1=O ZINC001241822950 1101728129 /nfs/dbraw/zinc/72/81/29/1101728129.db2.gz GXLXXBMGGFVVPX-UHFFFAOYSA-N 0 0 301.349 3.391 20 10 DGCDRN CON(C)C(=O)c1ncc(-c2cccc3c2ccn3C)cc1C ZINC001241823514 1101730791 /nfs/dbraw/zinc/73/07/91/1101730791.db2.gz SLNAKGOLABEQKN-UHFFFAOYSA-N 0 0 309.369 3.182 20 10 DGCDRN Cc1cccc(C)c1NC(=S)NCc1ncc(F)cc1F ZINC001198379287 1101835459 /nfs/dbraw/zinc/83/54/59/1101835459.db2.gz CEWOQBWFUCNKPB-UHFFFAOYSA-N 0 0 307.369 3.463 20 10 DGCDRN Cc1cccc(C)c1NC(=S)NCc1cccc(O)c1O ZINC001198381951 1101837092 /nfs/dbraw/zinc/83/70/92/1101837092.db2.gz ZORMDELMJBBWMS-UHFFFAOYSA-N 0 0 302.399 3.201 20 10 DGCDRN COc1ccncc1-c1ccn(Cc2ccc(F)cc2)c(=O)c1 ZINC001242060218 1101888227 /nfs/dbraw/zinc/88/82/27/1101888227.db2.gz CYTCODMNCNEJMW-UHFFFAOYSA-N 0 0 310.328 3.106 20 10 DGCDRN Cc1cc(-c2nccn2C)c(-c2cnccc2C(F)(F)F)nn1 ZINC001242277699 1102021955 /nfs/dbraw/zinc/02/19/55/1102021955.db2.gz MECLTBBNSBWPKG-UHFFFAOYSA-N 0 0 319.290 3.266 20 10 DGCDRN COCCn1ccc2c1ncnc2-c1cnccc1C(F)(F)F ZINC001242276308 1102021978 /nfs/dbraw/zinc/02/19/78/1102021978.db2.gz GVGXAGVWHUZIGZ-UHFFFAOYSA-N 0 0 322.290 3.159 20 10 DGCDRN Cc1cc(C)c(CNC(=O)c2cccc3ccn(C)c32)c(O)c1 ZINC001199031854 1102050393 /nfs/dbraw/zinc/05/03/93/1102050393.db2.gz RRSLMVXASKLCJM-UHFFFAOYSA-N 0 0 308.381 3.431 20 10 DGCDRN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001199678582 1102181849 /nfs/dbraw/zinc/18/18/49/1102181849.db2.gz ORDUXJGIOKVSKK-UPJWGTAASA-N 0 0 312.404 3.126 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(C)ccnc1F ZINC001199712446 1102190778 /nfs/dbraw/zinc/19/07/78/1102190778.db2.gz AFLHPCCFPPKLEX-UHFFFAOYSA-N 0 0 315.392 3.257 20 10 DGCDRN C[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])N1CCC(C)CC1 ZINC001199850693 1102223671 /nfs/dbraw/zinc/22/36/71/1102223671.db2.gz HVNBKUSQUWORNK-LBPRGKRZSA-N 0 0 314.832 3.395 20 10 DGCDRN Fc1ccc(NC(=S)NCc2ncc(F)cc2F)c(F)c1 ZINC001200936924 1102443286 /nfs/dbraw/zinc/44/32/86/1102443286.db2.gz VOVBBJFEMXKHGX-UHFFFAOYSA-N 0 0 315.295 3.125 20 10 DGCDRN COc1ccnc(CNC(=S)Nc2ccc(F)c(C)c2)c1 ZINC001201041008 1102480622 /nfs/dbraw/zinc/48/06/22/1102480622.db2.gz CKRXPMAALIMBGZ-UHFFFAOYSA-N 0 0 305.378 3.024 20 10 DGCDRN CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1(C)C ZINC001201657066 1102687807 /nfs/dbraw/zinc/68/78/07/1102687807.db2.gz URLFXIFNVFOHOA-GFWSLJDESA-N 0 0 301.789 3.334 20 10 DGCDRN Cc1ncc(-c2ccn(Cc3ccccc3F)c(=O)c2)s1 ZINC001243381645 1102695212 /nfs/dbraw/zinc/69/52/12/1102695212.db2.gz QVAVBTKDFMLKIL-UHFFFAOYSA-N 0 0 300.358 3.468 20 10 DGCDRN CCN(c1ccccc1)c1cc(-c2ccc(CO)nc2)ncn1 ZINC001243466099 1102740589 /nfs/dbraw/zinc/74/05/89/1102740589.db2.gz QNFHHAZZWSAZBE-UHFFFAOYSA-N 0 0 306.369 3.189 20 10 DGCDRN O=C(NCc1cc2ccccc2cc1O)NC(=O)c1ccccc1 ZINC001202464372 1103000320 /nfs/dbraw/zinc/00/03/20/1103000320.db2.gz WNSQXRDTEYQIEO-UHFFFAOYSA-N 0 0 320.348 3.185 20 10 DGCDRN c1cc(N2CCCC2)ccc1CNCc1nnc(C2CC2)s1 ZINC001326050651 1103194673 /nfs/dbraw/zinc/19/46/73/1103194673.db2.gz JMILUXQKBLLOJP-UHFFFAOYSA-N 0 0 314.458 3.306 20 10 DGCDRN COc1ncccc1C(=O)CSc1ncc(Cl)s1 ZINC001644122790 1103249911 /nfs/dbraw/zinc/24/99/11/1103249911.db2.gz MNXDBKZBYXQKQN-UHFFFAOYSA-N 0 0 300.792 3.175 20 10 DGCDRN O=C(CCCC1CCOCC1)Nc1c2nonc2ccc1Cl ZINC001327167257 1103564527 /nfs/dbraw/zinc/56/45/27/1103564527.db2.gz PVXRBWONNSZOGV-UHFFFAOYSA-N 0 0 323.780 3.412 20 10 DGCDRN Cc1cc(C(=O)N2CC[C@]23CCOC3)c(C)n1-c1cccc(C)c1 ZINC001327611879 1103692097 /nfs/dbraw/zinc/69/20/97/1103692097.db2.gz PFHRCWGNGWWLEA-HXUWFJFHSA-N 0 0 324.424 3.408 20 10 DGCDRN COc1ncc(-c2cc(N(C)c3ccccc3)ncn2)cc1O ZINC001244844481 1103716327 /nfs/dbraw/zinc/71/63/27/1103716327.db2.gz QCMSATSTXLNRLT-UHFFFAOYSA-N 0 0 308.341 3.021 20 10 DGCDRN O=C(NCCc1coc(-c2ccccc2)n1)C1=CC(=O)CS1 ZINC001327787066 1103725932 /nfs/dbraw/zinc/72/59/32/1103725932.db2.gz GUKHZRQPQWUXPW-UHFFFAOYSA-N 0 0 314.366 3.081 20 10 DGCDRN CC(=O)Nc1ccc(NCc2cc(Cl)c(F)cc2O)nc1 ZINC001327869028 1103747161 /nfs/dbraw/zinc/74/71/61/1103747161.db2.gz QEKGNKBPZVUYBT-UHFFFAOYSA-N 0 0 309.728 3.150 20 10 DGCDRN CC[C@H]([NH2+]CCc1nc(C(C)C)no1)c1ccc(F)cc1[O-] ZINC001327888925 1103756776 /nfs/dbraw/zinc/75/67/76/1103756776.db2.gz GXQUKQHJFHAQJQ-ZDUSSCGKSA-N 0 0 307.369 3.321 20 10 DGCDRN COC(=O)c1cnc(-c2cnc(Cl)cc2C)c2ccn(C)c21 ZINC001244915095 1103759467 /nfs/dbraw/zinc/75/94/67/1103759467.db2.gz PKAFNUAQJCXMRO-UHFFFAOYSA-N 0 0 315.760 3.384 20 10 DGCDRN C[C@@]1(C[NH2+]Cc2cccc(Br)c2[O-])CC1(F)F ZINC000689213519 1103832677 /nfs/dbraw/zinc/83/26/77/1103832677.db2.gz VAYBQKFXCYYWLM-NSHDSACASA-N 0 0 306.150 3.290 20 10 DGCDRN CC(=O)N1Cc2ccc(N[C@@H]3CCc4cccc(O)c43)cc2C1 ZINC001328091263 1103841652 /nfs/dbraw/zinc/84/16/52/1103841652.db2.gz MVWOCQFRHDAXRE-QGZVFWFLSA-N 0 0 308.381 3.354 20 10 DGCDRN Cc1cc(C)c(CNC(=S)NCCc2ccccc2)c(O)c1 ZINC001245353362 1104000171 /nfs/dbraw/zinc/00/01/71/1104000171.db2.gz FBJIQAYKWXDEEM-UHFFFAOYSA-N 0 0 314.454 3.216 20 10 DGCDRN CN(C)c1ccc(NCc2cc(F)c(N(C)C)cc2F)cn1 ZINC001328690561 1104022420 /nfs/dbraw/zinc/02/24/20/1104022420.db2.gz XBQSLXSNBNEEQO-UHFFFAOYSA-N 0 0 306.360 3.104 20 10 DGCDRN Cc1cc(CC(=O)N2CC[C@@]23CCOC3)c(C)n1-c1ccccc1 ZINC001328746630 1104049994 /nfs/dbraw/zinc/04/99/94/1104049994.db2.gz VZKKIXNGLPOFBO-FQEVSTJZSA-N 0 0 324.424 3.028 20 10 DGCDRN CC(C)c1nocc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC001328821067 1104083737 /nfs/dbraw/zinc/08/37/37/1104083737.db2.gz WTLQOEYQFZAVBP-UHFFFAOYSA-N 0 0 313.401 3.110 20 10 DGCDRN CCN(c1ccccc1)c1cc(-c2cnc(N)c(F)c2)ncn1 ZINC001245520557 1104101673 /nfs/dbraw/zinc/10/16/73/1104101673.db2.gz RUCXEWMEGMFBRW-UHFFFAOYSA-N 0 0 309.348 3.418 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001329237119 1104197649 /nfs/dbraw/zinc/19/76/49/1104197649.db2.gz RUACACGICQCSBH-YESZJQIVSA-N 0 0 311.429 3.051 20 10 DGCDRN C[C@H]1CCCC[C@@H]1OCC(=O)Nc1c2nonc2ccc1Cl ZINC001329517138 1104294301 /nfs/dbraw/zinc/29/43/01/1104294301.db2.gz AJGMMOFCSPYVAX-CABZTGNLSA-N 0 0 323.780 3.410 20 10 DGCDRN CC(C)(C)c1ccc(OC[C@H](O)CNc2ccc(N)cc2)cc1 ZINC001245961190 1104341032 /nfs/dbraw/zinc/34/10/32/1104341032.db2.gz GFFSSVPIEPPMAL-QGZVFWFLSA-N 0 0 314.429 3.418 20 10 DGCDRN C[C@H](Cc1cccc(O)c1)NC(=O)N[C@H](C)c1ccccc1O ZINC001330141199 1104487970 /nfs/dbraw/zinc/48/79/70/1104487970.db2.gz ZDTIJNXCRTUUAP-CHWSQXEVSA-N 0 0 314.385 3.089 20 10 DGCDRN COc1ccc(N2CC[C@]3(CCN(CC=C(C)C)C3=O)C2)cc1 ZINC001274789411 1104493450 /nfs/dbraw/zinc/49/34/50/1104493450.db2.gz ARFZZCVYQZJXJC-LJQANCHMSA-N 0 0 314.429 3.090 20 10 DGCDRN COc1ccc(N(C)Cc2ccc(O[C@H]3CCOC3)cc2)cc1 ZINC001330817054 1104653789 /nfs/dbraw/zinc/65/37/89/1104653789.db2.gz GHQQNWGOTQZOCQ-IBGZPJMESA-N 0 0 313.397 3.499 20 10 DGCDRN Oc1ccc(Cc2nc(-c3ccc4cnccc4c3)no2)cc1O ZINC001247958731 1105021567 /nfs/dbraw/zinc/02/15/67/1105021567.db2.gz BDGBMDUIBLCROQ-UHFFFAOYSA-N 0 0 319.320 3.287 20 10 DGCDRN Cc1cc(F)c(-c2noc(Cc3ccc(O)c(O)c3)n2)cc1F ZINC001247959583 1105021664 /nfs/dbraw/zinc/02/16/64/1105021664.db2.gz UTGFEWHWFNHLJP-UHFFFAOYSA-N 0 0 318.279 3.325 20 10 DGCDRN Cc1cccc2[nH]c(N(c3ccc(N)cc3)S(C)(=O)=O)cc21 ZINC001248441252 1105113261 /nfs/dbraw/zinc/11/32/61/1105113261.db2.gz MNDHOCRMLYADGM-UHFFFAOYSA-N 0 0 315.398 3.156 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1CC12CCC2 ZINC001248470978 1105117477 /nfs/dbraw/zinc/11/74/77/1105117477.db2.gz FPFGUSQHWNOBGD-QGZVFWFLSA-N 0 0 313.445 3.371 20 10 DGCDRN O=C(NCc1c(O)cccc1F)NC(C1CCC1)C1CCC1 ZINC001248571432 1105129872 /nfs/dbraw/zinc/12/98/72/1105129872.db2.gz SQOPTNXKJZBPHU-UHFFFAOYSA-N 0 0 306.381 3.299 20 10 DGCDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC001248715137 1105150477 /nfs/dbraw/zinc/15/04/77/1105150477.db2.gz HHMWQJWOOHKPTO-XYHOJCAOSA-N 0 0 308.809 3.137 20 10 DGCDRN CC(=O)c1cccc(-c2noc(CCc3ccc(O)c(O)c3)n2)c1 ZINC001248983332 1105209031 /nfs/dbraw/zinc/20/90/31/1105209031.db2.gz CJRNRCDRVHAMOQ-UHFFFAOYSA-N 0 0 324.336 3.136 20 10 DGCDRN COc1ccc(C)cc1NC(=S)Nc1cccc(O)c1O ZINC001249670175 1105350397 /nfs/dbraw/zinc/35/03/97/1105350397.db2.gz YQHFNMVBZOKJIO-UHFFFAOYSA-N 0 0 304.371 3.224 20 10 DGCDRN Nc1ccc(N(c2ccc(N)cc2)c2cnc(N)c(F)c2)cc1 ZINC001249767876 1105377440 /nfs/dbraw/zinc/37/74/40/1105377440.db2.gz INRRDJSKEAABKG-UHFFFAOYSA-N 0 0 309.348 3.437 20 10 DGCDRN Cc1cc(N2CCOCC2)ccc1Cc1ccc(N(C)C)cc1 ZINC001250434125 1105515050 /nfs/dbraw/zinc/51/50/50/1105515050.db2.gz GREAJVGCQYJWIP-UHFFFAOYSA-N 0 0 310.441 3.488 20 10 DGCDRN COc1cc(-c2nc3c(ccc4ncccc34)[nH]2)cc(O)c1O ZINC001250488974 1105524078 /nfs/dbraw/zinc/52/40/78/1105524078.db2.gz SYRHOYHAMHTWGR-UHFFFAOYSA-N 0 0 307.309 3.198 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(Cl)c2N)c1 ZINC001137473416 1105528343 /nfs/dbraw/zinc/52/83/43/1105528343.db2.gz IVQZOOMETQEORY-SECBINFHSA-N 0 0 320.776 3.127 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cccc(F)c2C)c1 ZINC001137473243 1105528396 /nfs/dbraw/zinc/52/83/96/1105528396.db2.gz CVCQUYHDIGHVPB-NSHDSACASA-N 0 0 303.333 3.339 20 10 DGCDRN NC(=O)c1ccc2[nH]c(-c3ccc(N4CCCCC4)cc3)nc2c1 ZINC001250686880 1105559837 /nfs/dbraw/zinc/55/98/37/1105559837.db2.gz AGEHEKNNSYXQSZ-UHFFFAOYSA-N 0 0 320.396 3.319 20 10 DGCDRN c1cc(N2CCOCC2)ccc1-c1nc2cc3c(cc2[nH]1)CCO3 ZINC001250702418 1105563619 /nfs/dbraw/zinc/56/36/19/1105563619.db2.gz BCPOAVRXUNXBPF-UHFFFAOYSA-N 0 0 321.380 3.001 20 10 DGCDRN Cn1c2ccccc2nc1-c1ccccc1-c1cnc(N)nc1 ZINC001250860813 1105595468 /nfs/dbraw/zinc/59/54/68/1105595468.db2.gz HOTOHIVOGABZJX-UHFFFAOYSA-N 0 0 301.353 3.280 20 10 DGCDRN O=C(c1ccccc1)c1ccccc1NC[C@@H](O)C(F)(F)F ZINC001250977001 1105614206 /nfs/dbraw/zinc/61/42/06/1105614206.db2.gz GSVPIMZDHQLYGR-CQSZACIVSA-N 0 0 309.287 3.253 20 10 DGCDRN CCC(C)(C)NC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001251981658 1105718769 /nfs/dbraw/zinc/71/87/69/1105718769.db2.gz OTBZFYRBNQELNN-AWEZNQCLSA-N 0 0 305.466 3.480 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC1CC(C)C1 ZINC001251988308 1105719581 /nfs/dbraw/zinc/71/95/81/1105719581.db2.gz IHELFUVEGAUFTN-SIWZUTFBSA-N 0 0 317.477 3.337 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)[C@H](C)C(C)C)CC2)cc1 ZINC001253853596 1105996701 /nfs/dbraw/zinc/99/67/01/1105996701.db2.gz PRXQUSZFRBQJDQ-OAHLLOKOSA-N 0 0 304.434 3.026 20 10 DGCDRN CSc1cccc(-c2cn(CCc3ccc(N)cc3)nn2)c1 ZINC001254081366 1106015507 /nfs/dbraw/zinc/01/55/07/1106015507.db2.gz SZYCGVLLKQHUKS-UHFFFAOYSA-N 0 0 310.426 3.492 20 10 DGCDRN Nc1ccc(CCn2cc(-c3ccc(Cl)s3)nn2)cc1 ZINC001254081174 1106015951 /nfs/dbraw/zinc/01/59/51/1106015951.db2.gz ODOWXYIOYSNNFS-UHFFFAOYSA-N 0 0 304.806 3.485 20 10 DGCDRN Oc1ccc(Cc2nnc(Cc3ccc(Cl)cc3)o2)cc1O ZINC001254260893 1106044909 /nfs/dbraw/zinc/04/49/09/1106044909.db2.gz UEZGJWLQOJSRSO-UHFFFAOYSA-N 0 0 316.744 3.316 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC(C)(C)CF)cc1F ZINC001255084014 1106175393 /nfs/dbraw/zinc/17/53/93/1106175393.db2.gz VVPJIAVPRCTNTJ-UHFFFAOYSA-N 0 0 313.392 3.219 20 10 DGCDRN Cc1ccc(CC(=O)Nc2c3nonc3ccc2Cl)cc1 ZINC001256175537 1106384132 /nfs/dbraw/zinc/38/41/32/1106384132.db2.gz NEMWTTODCRXOPA-UHFFFAOYSA-N 0 0 301.733 3.366 20 10 DGCDRN O=c1cc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)cc[nH]1 ZINC001256935888 1106514047 /nfs/dbraw/zinc/51/40/47/1106514047.db2.gz VLNUEPURVPBBLN-UHFFFAOYSA-N 0 0 304.309 3.295 20 10 DGCDRN c1ccn(-c2ccc(-c3nnc(CCc4cnoc4)o3)cc2)c1 ZINC001256957301 1106515178 /nfs/dbraw/zinc/51/51/78/1106515178.db2.gz PNTVVRVVUXWPGS-UHFFFAOYSA-N 0 0 306.325 3.301 20 10 DGCDRN c1ccn(-c2ccc(-c3nnc(C4CC5(COC5)C4)o3)cc2)c1 ZINC001256966182 1106517848 /nfs/dbraw/zinc/51/78/48/1106517848.db2.gz VPZOJITUYTYEFB-UHFFFAOYSA-N 0 0 307.353 3.421 20 10 DGCDRN CCc1n[nH]cc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256975374 1106518941 /nfs/dbraw/zinc/51/89/41/1106518941.db2.gz XOQXOSJXNPOJPU-UHFFFAOYSA-N 0 0 305.341 3.480 20 10 DGCDRN Cc1nnsc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256974416 1106519267 /nfs/dbraw/zinc/51/92/67/1106519267.db2.gz ASJOWCWRSWYTOD-UHFFFAOYSA-N 0 0 309.354 3.354 20 10 DGCDRN Oc1cnccc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256974428 1106519340 /nfs/dbraw/zinc/51/93/40/1106519340.db2.gz BMYNLVLROIQLSA-UHFFFAOYSA-N 0 0 304.309 3.295 20 10 DGCDRN Cc1c(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)ncn1C ZINC001256981028 1106520338 /nfs/dbraw/zinc/52/03/38/1106520338.db2.gz IKLKIGJUKHTLAC-UHFFFAOYSA-N 0 0 305.341 3.236 20 10 DGCDRN Cc1ncc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)n1C ZINC001256980581 1106520448 /nfs/dbraw/zinc/52/04/48/1106520448.db2.gz AJSLGHTYVRFICU-UHFFFAOYSA-N 0 0 305.341 3.236 20 10 DGCDRN Cc1c(F)c(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)nn1C ZINC001256988089 1106521972 /nfs/dbraw/zinc/52/19/72/1106521972.db2.gz OMUYXHOZVAHPTK-UHFFFAOYSA-N 0 0 323.331 3.375 20 10 DGCDRN CC[C@H]([NH2+]CCOCCCO)c1ccc(Cl)c(Cl)c1[O-] ZINC001257445485 1106591624 /nfs/dbraw/zinc/59/16/24/1106591624.db2.gz YMFSQMQLMFOMGO-LBPRGKRZSA-N 0 0 322.232 3.139 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC001320031953 1106799264 /nfs/dbraw/zinc/79/92/64/1106799264.db2.gz UMVDVDYBMPFVOJ-ODYMAQSMSA-N 0 0 301.386 3.150 20 10 DGCDRN CCOCc1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1 ZINC001320066457 1106834642 /nfs/dbraw/zinc/83/46/42/1106834642.db2.gz VYGRELAMNSETJU-UHFFFAOYSA-N 0 0 301.342 3.195 20 10 DGCDRN CCCC[C@H](CCC)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OC ZINC001258753353 1106954511 /nfs/dbraw/zinc/95/45/11/1106954511.db2.gz JCYYYVCTMNNGRP-GJZGRUSLSA-N 0 0 323.433 3.130 20 10 DGCDRN COC(=O)CN(Cc1ccc(N2CCCCC2)cc1)CC(C)C ZINC001320506890 1107034764 /nfs/dbraw/zinc/03/47/64/1107034764.db2.gz KIWUOJHNGJGJDE-UHFFFAOYSA-N 0 0 318.461 3.308 20 10 DGCDRN Cc1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2C)c(C)c1 ZINC001259101083 1107078137 /nfs/dbraw/zinc/07/81/37/1107078137.db2.gz MLAKNALMQKFFJW-UHFFFAOYSA-N 0 0 305.399 3.427 20 10 DGCDRN Cc1cc(O)cc(C)c1NS(=O)(=O)Cc1ccc(F)cc1 ZINC001259253710 1107107735 /nfs/dbraw/zinc/10/77/35/1107107735.db2.gz LIPIEHIVKAKSCH-UHFFFAOYSA-N 0 0 309.362 3.090 20 10 DGCDRN COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC001320717502 1107115293 /nfs/dbraw/zinc/11/52/93/1107115293.db2.gz SHNXHOZTSCXZMY-CMPLNLGQSA-N 0 0 318.200 3.130 20 10 DGCDRN Cc1c(C)c(NS(=O)(=O)CCc2ccc(F)cc2)ccc1O ZINC001259760965 1107192967 /nfs/dbraw/zinc/19/29/67/1107192967.db2.gz YPZYHCLTKYCAEL-UHFFFAOYSA-N 0 0 323.389 3.133 20 10 DGCDRN O=C(Cc1ccc(F)cc1)Nc1c2nonc2ccc1Cl ZINC001320947216 1107198601 /nfs/dbraw/zinc/19/86/01/1107198601.db2.gz SZXMZLJLTFSCEQ-UHFFFAOYSA-N 0 0 305.696 3.197 20 10 DGCDRN C/C=C(/CC)C(=O)N1CCN(c2ccc(OCC)cc2)CC1 ZINC001321012652 1107219969 /nfs/dbraw/zinc/21/99/69/1107219969.db2.gz XVNKCKVVGYCKFL-TVPGTPATSA-N 0 0 302.418 3.090 20 10 DGCDRN CC(=O)c1cc(NS(=O)(=O)c2cccc(C)c2C)ccc1O ZINC001260998452 1107339886 /nfs/dbraw/zinc/33/98/86/1107339886.db2.gz PGMSMVAPOJYVHP-UHFFFAOYSA-N 0 0 319.382 3.012 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)C1SCCCS1 ZINC001261371006 1107420680 /nfs/dbraw/zinc/42/06/80/1107420680.db2.gz BDGCGLZZHIZHIJ-UHFFFAOYSA-N 0 0 315.807 3.011 20 10 DGCDRN O=[N+]([O-])c1ccc(-c2nnc(C3=S=C4CCCC4=C3)o2)s1 ZINC001322198595 1107565118 /nfs/dbraw/zinc/56/51/18/1107565118.db2.gz XCFIADQRVQTRIT-UHFFFAOYSA-N 0 0 319.367 3.256 20 10 DGCDRN COc1ccc(C[NH2+]C(C)(C)c2nc(C)cs2)c(O)c1OC ZINC001262361158 1107691953 /nfs/dbraw/zinc/69/19/53/1107691953.db2.gz CLGASKHTOCTGOK-UHFFFAOYSA-N 0 0 322.430 3.199 20 10 DGCDRN CCC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(N)cc1 ZINC001262570583 1107726767 /nfs/dbraw/zinc/72/67/67/1107726767.db2.gz ZGIAHFHAKTWLFJ-GOSISDBHSA-N 0 0 311.429 3.479 20 10 DGCDRN CCc1cc(OCC(=O)NCc2ccccc2O)ccc1Cl ZINC001318078753 1107826579 /nfs/dbraw/zinc/82/65/79/1107826579.db2.gz ULHIDXMVEGAKDG-UHFFFAOYSA-N 0 0 319.788 3.303 20 10 DGCDRN Cc1cc(C(=O)N(C)Cc2ccccc2O)c(C)n1CC1CC1 ZINC001318257753 1107919930 /nfs/dbraw/zinc/91/99/30/1107919930.db2.gz LYWRJKAHRDBVFH-UHFFFAOYSA-N 0 0 312.413 3.493 20 10 DGCDRN Cc1cncc(/C=C/C(=O)Nc2c3nonc3ccc2Cl)c1 ZINC001323420841 1107969473 /nfs/dbraw/zinc/96/94/73/1107969473.db2.gz ZEDLYWRTIMVNDO-GORDUTHDSA-N 0 0 314.732 3.232 20 10 DGCDRN O=C(Cc1ccc(F)c(F)c1)Nc1c2nonc2ccc1Cl ZINC001323707443 1108060569 /nfs/dbraw/zinc/06/05/69/1108060569.db2.gz OYPTVFLFOOBJPT-UHFFFAOYSA-N 0 0 323.686 3.336 20 10 DGCDRN CC[C@@H]1C[C@@H](C(=O)Nc2c3nonc3ccc2Cl)CCO1 ZINC001324140007 1108187497 /nfs/dbraw/zinc/18/74/97/1108187497.db2.gz DRKCFNHRKPRTOW-DTWKUNHWSA-N 0 0 309.753 3.020 20 10 DGCDRN Cc1cc(CCCC(=O)NCc2cccc(O)c2O)c(C)s1 ZINC001263894699 1108287025 /nfs/dbraw/zinc/28/70/25/1108287025.db2.gz RPNBIFCIWDKMDE-UHFFFAOYSA-N 0 0 319.426 3.415 20 10 DGCDRN CS[C@H]1CC[C@@H](N(C)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC001319082096 1108307711 /nfs/dbraw/zinc/30/77/11/1108307711.db2.gz NKLXTTXZPMTQKP-CVEARBPZSA-N 0 0 321.490 3.178 20 10 DGCDRN O=[N+]([O-])c1ccc(NNC(=S)Nc2cccc(F)c2F)cc1 ZINC001319447085 1108472748 /nfs/dbraw/zinc/47/27/48/1108472748.db2.gz XXSXDIJPMMURSQ-UHFFFAOYSA-N 0 0 324.312 3.187 20 10 DGCDRN Cc1cc(C(=O)Nc2cc(C)nc(C)c2)c(C)n1-c1ccccn1 ZINC001319544512 1108517575 /nfs/dbraw/zinc/51/75/75/1108517575.db2.gz NDFKSDOCMHTTEH-UHFFFAOYSA-N 0 0 320.396 3.175 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C\c2cccnc2C)cc1OC ZINC001264853080 1108667968 /nfs/dbraw/zinc/66/79/68/1108667968.db2.gz RGGVJCKULWDQQC-YFHOEESVSA-N 0 0 312.369 3.083 20 10 DGCDRN O=C(NCC(F)(F)c1ccc(F)cc1)C1=CC(=O)CS1 ZINC001301402057 1111091160 /nfs/dbraw/zinc/09/11/60/1111091160.db2.gz PXPGSYYKVCVDBF-UHFFFAOYSA-N 0 0 301.289 3.115 20 10 DGCDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccccc2O)c1C ZINC001302532659 1111117093 /nfs/dbraw/zinc/11/70/93/1111117093.db2.gz NKXVURABORGLFR-GFCCVEGCSA-N 0 0 314.341 3.408 20 10 DGCDRN Cc1cc(C)c(/C=C\C(=O)NCc2cc(O)ccc2O)cc1C ZINC001303225478 1111137478 /nfs/dbraw/zinc/13/74/78/1111137478.db2.gz IYAYUWXHUDZQTP-DAXSKMNVSA-N 0 0 311.381 3.353 20 10 DGCDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001303661247 1111150800 /nfs/dbraw/zinc/15/08/00/1111150800.db2.gz WBLWOKNWTVZHLA-NUGNTBJXSA-N 0 0 317.410 3.334 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccc(-c3ccon3)cc2)c(O)c1O ZINC001303966817 1111158365 /nfs/dbraw/zinc/15/83/65/1111158365.db2.gz JMHZPGGTPHQGEV-UHFFFAOYSA-N 0 0 310.309 3.314 20 10 DGCDRN CC(C)COCCC(=O)NCc1c(O)ccc2ccccc21 ZINC001304089775 1111165699 /nfs/dbraw/zinc/16/56/99/1111165699.db2.gz LHPCCOTUUKSLHX-UHFFFAOYSA-N 0 0 301.386 3.224 20 10 DGCDRN CCc1c(C(=O)NCc2c(O)ccc3ccccc32)cnn1CC ZINC001304090373 1111165914 /nfs/dbraw/zinc/16/59/14/1111165914.db2.gz GHYJAGSVSAKHPT-UHFFFAOYSA-N 0 0 323.396 3.254 20 10 DGCDRN CC1(C(=O)NCc2c(O)ccc3ccccc32)CCC(=O)CC1 ZINC001304090857 1111165935 /nfs/dbraw/zinc/16/59/35/1111165935.db2.gz RSAFLCRKMVKNMY-UHFFFAOYSA-N 0 0 311.381 3.311 20 10 DGCDRN O=C(COc1ccsc1)NCc1c(O)ccc2ccccc21 ZINC001304090728 1111166006 /nfs/dbraw/zinc/16/60/06/1111166006.db2.gz PJSPXSJMTLZHKC-UHFFFAOYSA-N 0 0 313.378 3.302 20 10 DGCDRN CC(C)c1cccc(CNC(=O)c2c(F)ccc(O)c2O)c1 ZINC001306828957 1111243403 /nfs/dbraw/zinc/24/34/03/1111243403.db2.gz FBMPWJUXPCREMG-UHFFFAOYSA-N 0 0 303.333 3.290 20 10 DGCDRN COC(=O)c1cnc(SCCCc2scnc2C)s1 ZINC001307348035 1111291145 /nfs/dbraw/zinc/29/11/45/1111291145.db2.gz DCSJHDXGBNESSG-UHFFFAOYSA-N 0 0 314.457 3.420 20 10 DGCDRN COc1ccc(N(CCCN2CCOC2=O)CCC(C)C)cc1 ZINC001307743027 1111334295 /nfs/dbraw/zinc/33/42/95/1111334295.db2.gz WZRWTJMOTXHXLO-UHFFFAOYSA-N 0 0 320.433 3.390 20 10 DGCDRN Cc1c(NC/C=C\c2ccc(N(C)C)cc2)cccc1C(N)=O ZINC001308314918 1111415663 /nfs/dbraw/zinc/41/56/63/1111415663.db2.gz IWROZKVUVDLRPJ-WAYWQWQTSA-N 0 0 309.413 3.285 20 10 DGCDRN Cc1cc(NCc2cc(F)c(N(C)C)cc2F)cc(C(N)=O)c1 ZINC001308412186 1111426589 /nfs/dbraw/zinc/42/65/89/1111426589.db2.gz SDNRIRNXPNXKOD-UHFFFAOYSA-N 0 0 319.355 3.050 20 10 DGCDRN COCC[N@H+](CCc1ccccc1)Cc1cc(F)c(F)cc1[O-] ZINC001308573582 1111446436 /nfs/dbraw/zinc/44/64/36/1111446436.db2.gz LSASBQJLPKPFNA-UHFFFAOYSA-N 0 0 321.367 3.362 20 10 DGCDRN CN(Cc1nc(-c2ccccc2)c[nH]1)c1ccc2c(c1)OCO2 ZINC001308676265 1111459835 /nfs/dbraw/zinc/45/98/35/1111459835.db2.gz HLVSWUORTKYQPG-UHFFFAOYSA-N 0 0 307.353 3.442 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(F)c(F)cc1[O-])[C@H](c1ccccc1)N(C)C ZINC001308706680 1111463765 /nfs/dbraw/zinc/46/37/65/1111463765.db2.gz NANMGASIJKONGF-KZULUSFZSA-N 0 0 320.383 3.451 20 10 DGCDRN Cn1cc(Cl)c(CNCc2ccc3ccccc3c2O)n1 ZINC001308774960 1111473517 /nfs/dbraw/zinc/47/35/17/1111473517.db2.gz WYFVLRNNAINONK-UHFFFAOYSA-N 0 0 301.777 3.222 20 10 DGCDRN C[C@H](C[N@H+](C)Cc1cc(F)c(F)cc1[O-])C(=O)OC(C)(C)C ZINC001308809781 1111477994 /nfs/dbraw/zinc/47/79/94/1111477994.db2.gz DTEASFSRMQXWJP-SNVBAGLBSA-N 0 0 315.360 3.080 20 10 DGCDRN CCOC1CN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC001308807000 1111478144 /nfs/dbraw/zinc/47/81/44/1111478144.db2.gz LSZUMDPRZVOHEJ-UHFFFAOYSA-N 0 0 322.452 3.470 20 10 DGCDRN CN(c1ccccc1)[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001308884884 1111489232 /nfs/dbraw/zinc/48/92/32/1111489232.db2.gz YFYSMLYOJVRLHQ-HNNXBMFYSA-N 0 0 318.367 3.381 20 10 DGCDRN COCc1ccc(NC(=O)NCc2cc(C)ccc2O)cc1 ZINC001310652768 1111566897 /nfs/dbraw/zinc/56/68/97/1111566897.db2.gz KQAJKQAHRWXXJP-UHFFFAOYSA-N 0 0 300.358 3.169 20 10 DGCDRN O=C(NOC1CCC1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001310899140 1111575030 /nfs/dbraw/zinc/57/50/30/1111575030.db2.gz VDAYDSLYKRJELU-UHFFFAOYSA-N 0 0 323.356 3.002 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H](C)[C@H]2CCC[C@H](C)C2)c(O)c1 ZINC001312874547 1111678990 /nfs/dbraw/zinc/67/89/90/1111678990.db2.gz UABUTYXTCCNAHD-IHRRRGAJSA-N 0 0 320.433 3.415 20 10 DGCDRN CCc1nc(C)c(C(=O)NCc2c(C)c3ccccc3n2C)o1 ZINC000352079564 529719631 /nfs/dbraw/zinc/71/96/31/529719631.db2.gz MBRWHFOARYNTGW-UHFFFAOYSA-N 0 0 311.385 3.276 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000185990167 530003326 /nfs/dbraw/zinc/00/33/26/530003326.db2.gz VFMZBMIUKHZOAN-UHFFFAOYSA-N 0 0 322.368 3.446 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ncccc1C ZINC000066703899 432020010 /nfs/dbraw/zinc/02/00/10/432020010.db2.gz LSNUKHYFXLWUFZ-UHFFFAOYSA-N 0 0 313.401 3.217 20 10 DGCDRN Cc1cc(NC(=O)CSc2ncc(C(C)(C)C)s2)on1 ZINC000164180122 432045475 /nfs/dbraw/zinc/04/54/75/432045475.db2.gz IZGLZXZWERDAPC-UHFFFAOYSA-N 0 0 311.432 3.468 20 10 DGCDRN O=C(CC[C@@H]1CCCCO1)NCc1c(O)ccc2c1CCCC2 ZINC000075159598 191435400 /nfs/dbraw/zinc/43/54/00/191435400.db2.gz PPSVPFRMYILJRH-HNNXBMFYSA-N 0 0 317.429 3.237 20 10 DGCDRN CCC(=O)N1CC[C@@H]([NH2+][C@@H](CC)c2cccc(Cl)c2[O-])C1 ZINC000287771653 535308920 /nfs/dbraw/zinc/30/89/20/535308920.db2.gz RNLWAGYBGULVSC-RISCZKNCSA-N 0 0 310.825 3.097 20 10 DGCDRN C[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(F)c(F)c1[O-] ZINC000191207295 299271469 /nfs/dbraw/zinc/27/14/69/299271469.db2.gz KTSFJNNZVJLPOC-JTQLQIEISA-N 0 0 313.344 3.007 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCc3ccsc3C2)cc1 ZINC000134238737 432074589 /nfs/dbraw/zinc/07/45/89/432074589.db2.gz YYMLVTFNDXGFOE-UHFFFAOYSA-N 0 0 315.442 3.082 20 10 DGCDRN O=C(/C=C/c1cncs1)N1CCOc2ccc(Cl)cc21 ZINC000493061056 283726237 /nfs/dbraw/zinc/72/62/37/283726237.db2.gz NZELTVWTQQNFOO-DUXPYHPUSA-N 0 0 306.774 3.235 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cnc(C2CC2)nc1 ZINC000451313449 241078183 /nfs/dbraw/zinc/07/81/83/241078183.db2.gz MFCFEWGTNWFPLP-UHFFFAOYSA-N 0 0 320.396 3.084 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCCC12CCOCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000282702929 299365322 /nfs/dbraw/zinc/36/53/22/299365322.db2.gz KZKJKWRMFXFFNF-BLLLJJGKSA-N 0 0 320.389 3.300 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@@H]1CF ZINC000454875444 242053701 /nfs/dbraw/zinc/05/37/01/242053701.db2.gz NUMALLVKDBWZAF-CYBMUJFWSA-N 0 0 303.381 3.130 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000187748122 296131741 /nfs/dbraw/zinc/13/17/41/296131741.db2.gz IPZQRMZOZMTSEF-DGCLKSJQSA-N 0 0 307.340 3.097 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1CSCCS1)c1ccc(F)c(F)c1[O-] ZINC000187752794 296133737 /nfs/dbraw/zinc/13/37/37/296133737.db2.gz XCRRPUDTBBABCZ-BDAKNGLRSA-N 0 0 305.415 3.170 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCC(F)(F)F ZINC000471976824 244273839 /nfs/dbraw/zinc/27/38/39/244273839.db2.gz GEOGDEFTWATQBM-UHFFFAOYSA-N 0 0 313.323 3.238 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCCSCC1 ZINC000472222719 244288406 /nfs/dbraw/zinc/28/84/06/244288406.db2.gz NPFVTCLEAIBMJU-UHFFFAOYSA-N 0 0 317.458 3.135 20 10 DGCDRN Cc1cccnc1N(C)C(=O)/C=C/c1ccccc1-n1cccn1 ZINC000491958281 245598850 /nfs/dbraw/zinc/59/88/50/245598850.db2.gz DIXBAGLNIFQHJI-ZHACJKMWSA-N 0 0 318.380 3.252 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2nc(Cl)ccc2Cl)cc1 ZINC000015832930 182019762 /nfs/dbraw/zinc/01/97/62/182019762.db2.gz BBNMFNQJPIAOFF-UHFFFAOYSA-N 0 0 324.211 3.384 20 10 DGCDRN Nc1ccc(NC(=O)c2cc(Br)ccc2F)cc1 ZINC000019476627 182124462 /nfs/dbraw/zinc/12/44/62/182124462.db2.gz MBDLBPKZDNITOL-UHFFFAOYSA-N 0 0 309.138 3.423 20 10 DGCDRN CCN1CCC[C@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000020563261 182232226 /nfs/dbraw/zinc/23/22/26/182232226.db2.gz KLLFQUNMXCWJGK-LBPRGKRZSA-N 0 0 303.233 3.273 20 10 DGCDRN Cc1ccc(N(C)C(=O)/C=C/c2cnc3ccccc3n2)nc1 ZINC000493692886 246042632 /nfs/dbraw/zinc/04/26/32/246042632.db2.gz MNTBARBMKXYPJL-CSKARUKUSA-N 0 0 304.353 3.009 20 10 DGCDRN Cc1ncccc1/C=C/C(=O)N(C[C@H]1CCCO1)c1ccncc1 ZINC000493822199 246076825 /nfs/dbraw/zinc/07/68/25/246076825.db2.gz MQCJAQTVRAZZGJ-IPLHWJFFSA-N 0 0 323.396 3.010 20 10 DGCDRN C[C@H](N[C@@H](C)c1ccc(N2CCCCC2)cc1)c1nncn1C ZINC000268824463 432142509 /nfs/dbraw/zinc/14/25/09/432142509.db2.gz AWCBTEOUTUQMLL-GJZGRUSLSA-N 0 0 313.449 3.217 20 10 DGCDRN Oc1cc2c(cc1CNc1ccccc1Br)OCO2 ZINC000042879240 183316312 /nfs/dbraw/zinc/31/63/12/183316312.db2.gz LCYUQUXGDSUULS-UHFFFAOYSA-N 0 0 322.158 3.496 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCCc1nccs1 ZINC000066702113 184425081 /nfs/dbraw/zinc/42/50/81/184425081.db2.gz NJFCDJHLYYADKA-UHFFFAOYSA-N 0 0 319.430 3.013 20 10 DGCDRN COc1c([O-])c(C[NH+]2CC3(C2)CCCCC3)ccc1[N+](=O)[O-] ZINC000297421110 533441454 /nfs/dbraw/zinc/44/14/54/533441454.db2.gz MKAKJTNZQKTYIZ-UHFFFAOYSA-N 0 0 306.362 3.075 20 10 DGCDRN CC1(c2ccccc2)CC(NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000272396953 130027801 /nfs/dbraw/zinc/02/78/01/130027801.db2.gz HIYLVSOKWAOBOJ-CSKARUKUSA-N 0 0 323.392 3.348 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)CCCOC ZINC000272565978 130042370 /nfs/dbraw/zinc/04/23/70/130042370.db2.gz QIUSTSDJGPGRNY-HNNXBMFYSA-N 0 0 306.450 3.164 20 10 DGCDRN C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1[O-] ZINC000273354340 130109075 /nfs/dbraw/zinc/10/90/75/130109075.db2.gz CGBFDVBDPHJAHL-LLVKDONJSA-N 0 0 304.321 3.333 20 10 DGCDRN COc1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])ccc1C ZINC000273364233 130111601 /nfs/dbraw/zinc/11/16/01/130111601.db2.gz AZZPDFLFYSWRLD-GFCCVEGCSA-N 0 0 316.357 3.468 20 10 DGCDRN COCCOCCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000273431110 130121302 /nfs/dbraw/zinc/12/13/02/130121302.db2.gz VRPSTTMTSNRZHM-SNVBAGLBSA-N 0 0 322.232 3.403 20 10 DGCDRN Cc1n[nH]c(CC[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])n1 ZINC000273480565 130125790 /nfs/dbraw/zinc/12/57/90/130125790.db2.gz ULOPJBUBSSTKGQ-ZETCQYMHSA-N 0 0 315.204 3.019 20 10 DGCDRN C[C@@H]([NH2+]CC1([C@H](C)CCO)CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273501124 130128887 /nfs/dbraw/zinc/12/88/87/130128887.db2.gz QFLRMNIPQGJKTF-CHWSQXEVSA-N 0 0 322.405 3.140 20 10 DGCDRN Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273496180 130129472 /nfs/dbraw/zinc/12/94/72/130129472.db2.gz PEJVTMLHTUZNDV-UWVGGRQHSA-N 0 0 319.361 3.360 20 10 DGCDRN C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273552663 130134662 /nfs/dbraw/zinc/13/46/62/130134662.db2.gz GFPUKLYTUZCTDY-VXGBXAGGSA-N 0 0 316.357 3.288 20 10 DGCDRN Cc1nc(C)c(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000273611048 130143666 /nfs/dbraw/zinc/14/36/66/130143666.db2.gz VWCGMDUPOCSVQY-MRVPVSSYSA-N 0 0 307.375 3.225 20 10 DGCDRN COc1cc2c(cc1N[C@@H](C)c1ccccc1O)NC(=O)CC2 ZINC000274435710 130233458 /nfs/dbraw/zinc/23/34/58/130233458.db2.gz WIZWXIJNQNCKAP-NSHDSACASA-N 0 0 312.369 3.459 20 10 DGCDRN CN(C)c1ccc(CNc2ccc(OC3COC3)cc2)cc1F ZINC000275853094 130399314 /nfs/dbraw/zinc/39/93/14/130399314.db2.gz RZJNYJXGXGDJDK-UHFFFAOYSA-N 0 0 316.376 3.281 20 10 DGCDRN CCOc1ccc(/C=C2/SC(=S)N(CC)C2=O)cc1F ZINC000278254508 130675730 /nfs/dbraw/zinc/67/57/30/130675730.db2.gz MVVULTQKKRPBDH-XYOKQWHBSA-N 0 0 311.403 3.446 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)CSC ZINC000283730669 131017508 /nfs/dbraw/zinc/01/75/08/131017508.db2.gz XHIMRMXIRMYYTC-ZDUSSCGKSA-N 0 0 310.463 3.455 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCCCO1 ZINC000283761192 131019663 /nfs/dbraw/zinc/01/96/63/131019663.db2.gz MXGMHYLUKYZOSP-MRXNPFEDSA-N 0 0 320.433 3.273 20 10 DGCDRN CCn1c(C)nnc1N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000284164116 131054690 /nfs/dbraw/zinc/05/46/90/131054690.db2.gz XHVCWLOQTRCNAC-UHFFFAOYSA-N 0 0 313.449 3.233 20 10 DGCDRN CC[C@@H]([NH2+]CCNC(=O)OC(C)(C)C)c1ccc(F)cc1[O-] ZINC000286013617 131215542 /nfs/dbraw/zinc/21/55/42/131215542.db2.gz JJTKDRYUHSQHNP-CYBMUJFWSA-N 0 0 312.385 3.097 20 10 DGCDRN CC[C@H]([NH2+]CC1(SC)CCOCC1)c1ccc(F)cc1[O-] ZINC000286306644 131229951 /nfs/dbraw/zinc/22/99/51/131229951.db2.gz XHQQMAKATBICSB-AWEZNQCLSA-N 0 0 313.438 3.484 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C)CO[C@@H]1CCOC1)c1cccc(Cl)c1[O-] ZINC000287577883 131287982 /nfs/dbraw/zinc/28/79/82/131287982.db2.gz HDPDGSGDIAVFOY-ZOWXZIJZSA-N 0 0 313.825 3.280 20 10 DGCDRN C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC000287797300 131300339 /nfs/dbraw/zinc/30/03/39/131300339.db2.gz ZQGLHZBTIGGCPC-NSHDSACASA-N 0 0 315.339 3.037 20 10 DGCDRN C[C@H](c1ccccc1)N(Cc1cnn(C)n1)Cc1ccccc1O ZINC000289412216 131384716 /nfs/dbraw/zinc/38/47/16/131384716.db2.gz UZPSUMQZEIMDBL-OAHLLOKOSA-N 0 0 322.412 3.284 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc(F)c[nH]1 ZINC000293917337 131783000 /nfs/dbraw/zinc/78/30/00/131783000.db2.gz XPOLJVUEZAWIKA-UHFFFAOYSA-N 0 0 303.381 3.271 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000295714631 131917477 /nfs/dbraw/zinc/91/74/77/131917477.db2.gz KKJXBRUUJZBCBG-RGCMKSIDSA-N 0 0 305.418 3.217 20 10 DGCDRN Cc1nc(C(C)(C)C)sc1C(=O)NCc1ccc(N)cc1 ZINC000297148430 132001719 /nfs/dbraw/zinc/00/17/19/132001719.db2.gz IOOJEPVQUCDQKG-UHFFFAOYSA-N 0 0 303.431 3.261 20 10 DGCDRN CCCOc1ccc(CCC(=O)NCc2ccc(N)cc2)cc1 ZINC000297197993 132003813 /nfs/dbraw/zinc/00/38/13/132003813.db2.gz MMIXCAKZKCQGMW-UHFFFAOYSA-N 0 0 312.413 3.307 20 10 DGCDRN CSCC1CCC(NC(=O)NCc2ccccc2O)CC1 ZINC000297205129 132004154 /nfs/dbraw/zinc/00/41/54/132004154.db2.gz LTDGPAMLUJPMPB-UHFFFAOYSA-N 0 0 308.447 3.113 20 10 DGCDRN O=C(NC1CC1)c1cccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000297734138 132031926 /nfs/dbraw/zinc/03/19/26/132031926.db2.gz NRMJZFSGZHUQSM-QGZVFWFLSA-N 0 0 322.408 3.062 20 10 DGCDRN Cc1ncncc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000298632332 132070779 /nfs/dbraw/zinc/07/07/79/132070779.db2.gz GTKUFERTDCONDZ-UHFFFAOYSA-N 0 0 324.428 3.048 20 10 DGCDRN CC[C@H](C)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000298838225 132079706 /nfs/dbraw/zinc/07/97/06/132079706.db2.gz AGNQUATXRHXYGX-IHRRRGAJSA-N 0 0 322.424 3.102 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc2[nH]ncc21 ZINC000299519488 132109225 /nfs/dbraw/zinc/10/92/25/132109225.db2.gz OSJKMOLESCNFES-UHFFFAOYSA-N 0 0 322.412 3.291 20 10 DGCDRN CN(C)c1ccc(CNc2cccc(C(=O)NC3CC3)c2)cc1 ZINC000120465541 132142055 /nfs/dbraw/zinc/14/20/55/132142055.db2.gz OYHNWABMCMUJEF-UHFFFAOYSA-N 0 0 309.413 3.257 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NCCSC(C)(C)C)cc1 ZINC000067468471 400172773 /nfs/dbraw/zinc/17/27/73/400172773.db2.gz UKPWDDZWEIELDX-UHFFFAOYSA-N 0 0 323.506 3.426 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1CCOCC1 ZINC000068535405 400271136 /nfs/dbraw/zinc/27/11/36/400271136.db2.gz AORCWQRQLOHKPV-UHFFFAOYSA-N 0 0 316.445 3.062 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cn(C)nc1C1CC1 ZINC000580985367 400349628 /nfs/dbraw/zinc/34/96/28/400349628.db2.gz ZYARMSFIRDCPGN-UHFFFAOYSA-N 0 0 322.412 3.028 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(Cl)nc1 ZINC000072905251 400413302 /nfs/dbraw/zinc/41/33/02/400413302.db2.gz BOFQGIBFSFMXLV-UHFFFAOYSA-N 0 0 317.820 3.463 20 10 DGCDRN Cc1ccc(C(=O)CCC(=O)N(C)Cc2ccccc2O)s1 ZINC000042117863 400423672 /nfs/dbraw/zinc/42/36/72/400423672.db2.gz OPMYXQWVTCMQGO-UHFFFAOYSA-N 0 0 317.410 3.384 20 10 DGCDRN CC[C@H]1CCCC[C@H]1NC(=O)NCc1cccc(OC)c1O ZINC000073748200 400467655 /nfs/dbraw/zinc/46/76/55/400467655.db2.gz CQTMCFSEBVSMJE-GXTWGEPZSA-N 0 0 306.406 3.169 20 10 DGCDRN C[C@@H](CCc1ccco1)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000046072185 400548111 /nfs/dbraw/zinc/54/81/11/400548111.db2.gz NJKLTHIIPQKWEO-AWEZNQCLSA-N 0 0 315.417 3.166 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NCc2cccs2)cc1 ZINC000053251330 400772895 /nfs/dbraw/zinc/77/28/95/400772895.db2.gz XAQDHFIPPCWIPX-UHFFFAOYSA-N 0 0 303.431 3.156 20 10 DGCDRN CCCCCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000053954697 400803169 /nfs/dbraw/zinc/80/31/69/400803169.db2.gz BQJKCMKBQMASPU-INIZCTEOSA-N 0 0 320.433 3.273 20 10 DGCDRN CC[C@@H](C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000055530355 400875715 /nfs/dbraw/zinc/87/57/15/400875715.db2.gz AGNQUATXRHXYGX-MCIONIFRSA-N 0 0 322.424 3.102 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)[C@H]3CC=CCC3)CC2)cc1 ZINC000055877440 400898428 /nfs/dbraw/zinc/89/84/28/400898428.db2.gz NYECAFLHUQJJKF-INIZCTEOSA-N 0 0 314.429 3.090 20 10 DGCDRN CN1CCCc2cc(CNC(=O)NCc3ccsc3)ccc21 ZINC000058559626 401059864 /nfs/dbraw/zinc/05/98/64/401059864.db2.gz RRAQFKUFFHVCJT-UHFFFAOYSA-N 0 0 315.442 3.130 20 10 DGCDRN COc1ccc(N(C)C(=O)c2c(C)onc2-c2cccnc2)cc1 ZINC000622740261 401409021 /nfs/dbraw/zinc/40/90/21/401409021.db2.gz YQIAAWFSVHNSPV-UHFFFAOYSA-N 0 0 323.352 3.330 20 10 DGCDRN CSc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)co1 ZINC000631563008 401497850 /nfs/dbraw/zinc/49/78/50/401497850.db2.gz QFQKRKMVRUFVOX-UHFFFAOYSA-N 0 0 318.398 3.107 20 10 DGCDRN O=C(NCc1ccccc1O)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000133939449 227039665 /nfs/dbraw/zinc/03/96/65/227039665.db2.gz FCYPPRPGBPHTRK-NWDGAFQWSA-N 0 0 301.308 3.377 20 10 DGCDRN Oc1ccc(CCNc2ccnc(Cc3ccccc3)n2)cc1O ZINC000167014893 228266558 /nfs/dbraw/zinc/26/65/58/228266558.db2.gz AJGVTGVYAFZKDY-UHFFFAOYSA-N 0 0 321.380 3.133 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1ccccc1 ZINC000349101697 229209491 /nfs/dbraw/zinc/20/94/91/229209491.db2.gz FTIQBOIPDLMRLX-UHFFFAOYSA-N 0 0 307.397 3.486 20 10 DGCDRN CCOc1ncccc1C(=O)NCc1c(C)c2ccccc2n1C ZINC000348701195 229206830 /nfs/dbraw/zinc/20/68/30/229206830.db2.gz PFYWTECXVOCEFP-UHFFFAOYSA-N 0 0 323.396 3.210 20 10 DGCDRN Cc1n[nH]c(C)c1CCC(=O)NCc1c(C)c2ccccc2n1C ZINC000352124580 229243791 /nfs/dbraw/zinc/24/37/91/229243791.db2.gz YFVDLNMQQIYGEY-UHFFFAOYSA-N 0 0 324.428 3.076 20 10 DGCDRN O[C@@H](COc1ccccc1)COc1ccc(N2CCCC2)cc1 ZINC000270204190 432229840 /nfs/dbraw/zinc/22/98/40/432229840.db2.gz ZXEHOTPQIJIRHU-KRWDZBQOSA-N 0 0 313.397 3.106 20 10 DGCDRN COCCC1(C(=O)NCc2ccc(N(C)C)c(F)c2)CCCC1 ZINC000151324921 432238307 /nfs/dbraw/zinc/23/83/07/432238307.db2.gz GXKJYJSWFGFCLC-UHFFFAOYSA-N 0 0 322.424 3.105 20 10 DGCDRN COc1ccc(O)c(CN2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000179718799 274114542 /nfs/dbraw/zinc/11/45/42/274114542.db2.gz XAMDEFAZCYRVRP-GOSISDBHSA-N 0 0 317.360 3.113 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000191389763 432259713 /nfs/dbraw/zinc/25/97/13/432259713.db2.gz IRKKYLMLLRCUKV-GFCCVEGCSA-N 0 0 312.816 3.102 20 10 DGCDRN CC[C@H]([NH2+][C@@H](CO)CCOC)c1cc(Cl)cc(Cl)c1[O-] ZINC000286967840 288063603 /nfs/dbraw/zinc/06/36/03/288063603.db2.gz IHYAUCCPKQEJGZ-MFKMUULPSA-N 0 0 322.232 3.137 20 10 DGCDRN CC[C@H]([NH2+][C@H](C)[C@@H](CO)SC)c1cccc(Cl)c1[O-] ZINC000287880041 288079382 /nfs/dbraw/zinc/07/93/82/288079382.db2.gz YJJFFURRLZCOOZ-JIMOISOXSA-N 0 0 303.855 3.199 20 10 DGCDRN CC[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1[O-])[C@H](O)C(F)(F)F ZINC000276912644 288081266 /nfs/dbraw/zinc/08/12/66/288081266.db2.gz LANINZNLCJTYNB-ZIGWGHGNSA-N 0 0 313.266 3.023 20 10 DGCDRN C[C@@H]1Oc2ccc(N[C@H]3CCc4cccc(O)c43)cc2NC1=O ZINC000296887196 279064381 /nfs/dbraw/zinc/06/43/81/279064381.db2.gz OKCUOKXALZZQNH-GWCFXTLKSA-N 0 0 310.353 3.211 20 10 DGCDRN CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC000109731744 431177925 /nfs/dbraw/zinc/17/79/25/431177925.db2.gz HSNRRNREOPQKQL-RMKNXTFCSA-N 0 0 317.732 3.319 20 10 DGCDRN C[C@@H](c1nc(-c2cccnc2)no1)N(C)Cc1ccccc1O ZINC000112981660 431319445 /nfs/dbraw/zinc/31/94/45/431319445.db2.gz ZQQRMFDAQMKRDK-LBPRGKRZSA-N 0 0 310.357 3.030 20 10 DGCDRN C[C@H]1CC[C@@H](CCC(=O)NCc2c(O)ccc3c2CCCC3)O1 ZINC000075159607 431458901 /nfs/dbraw/zinc/45/89/01/431458901.db2.gz QCICMDZXTBELEE-ZFWWWQNUSA-N 0 0 317.429 3.235 20 10 DGCDRN COc1cccc(CNC(=O)C[C@H](C)c2cccc(F)c2)c1O ZINC000116444591 431512263 /nfs/dbraw/zinc/51/22/63/431512263.db2.gz JDMBZLRTTMFRCN-LBPRGKRZSA-N 0 0 317.360 3.350 20 10 DGCDRN C[C@H]1Oc2ccc(N[C@H]3CCc4cccc(O)c43)cc2NC1=O ZINC000296887208 280080719 /nfs/dbraw/zinc/08/07/19/280080719.db2.gz OKCUOKXALZZQNH-MFKMUULPSA-N 0 0 310.353 3.211 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1COc2ccccc21 ZINC000118783716 431618735 /nfs/dbraw/zinc/61/87/35/431618735.db2.gz QQEXTTFIHDVEMQ-MRXNPFEDSA-N 0 0 311.381 3.307 20 10 DGCDRN CN(Cc1noc(C2CCCCC2)n1)Cc1ccccc1O ZINC000121145165 431748088 /nfs/dbraw/zinc/74/80/88/431748088.db2.gz IRKXOLCNBZTZFF-UHFFFAOYSA-N 0 0 301.390 3.455 20 10 DGCDRN COc1ccc(N(C)Cc2nc([C@H](C)OC)no2)cc1Cl ZINC000121858343 431806488 /nfs/dbraw/zinc/80/64/88/431806488.db2.gz HMOWZMDNTQEZKU-VIFPVBQESA-N 0 0 311.769 3.075 20 10 DGCDRN CC(C)[C@@H](C)N(C(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000086153301 431842766 /nfs/dbraw/zinc/84/27/66/431842766.db2.gz VXLCSQHRGXSKQQ-CQSZACIVSA-N 0 0 303.450 3.471 20 10 DGCDRN CN(C(=O)/C=C/c1cncc(F)c1)c1cccc2ncccc21 ZINC000089843841 431881803 /nfs/dbraw/zinc/88/18/03/431881803.db2.gz IPKZWLANXVZOBK-BQYQJAHWSA-N 0 0 307.328 3.445 20 10 DGCDRN C[C@@H](Oc1ccccc1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000248139317 432271142 /nfs/dbraw/zinc/27/11/42/432271142.db2.gz STEXIOIGYPHCNB-OAHLLOKOSA-N 0 0 312.413 3.179 20 10 DGCDRN CO[C@@H](C)CCC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000183453647 432295080 /nfs/dbraw/zinc/29/50/80/432295080.db2.gz NFIGUGSDFMITIL-INIZCTEOSA-N 0 0 318.461 3.354 20 10 DGCDRN CCc1ccsc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183467459 432295456 /nfs/dbraw/zinc/29/54/56/432295456.db2.gz GROHDAGDOIPWDC-JTQLQIEISA-N 0 0 305.399 3.083 20 10 DGCDRN Cc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1F ZINC000173194859 432262934 /nfs/dbraw/zinc/26/29/34/432262934.db2.gz DNKHODFAHJWRAM-UHFFFAOYSA-N 0 0 314.360 3.239 20 10 DGCDRN CCC[C@@H]1C[C@H](C(=O)NCc2ccc(N(C)C)c(F)c2)CCO1 ZINC000183569734 432305345 /nfs/dbraw/zinc/30/53/45/432305345.db2.gz WHVXZFUHZJQHTL-HUUCEWRRSA-N 0 0 322.424 3.103 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCO[C@H](C)C2)cc1 ZINC000271321008 432373725 /nfs/dbraw/zinc/37/37/25/432373725.db2.gz YRPOXUKYSRUIMB-WBVHZDCISA-N 0 0 312.413 3.391 20 10 DGCDRN C[N@H+](CCSc1ncc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000192553477 432386577 /nfs/dbraw/zinc/38/65/77/432386577.db2.gz QLRGVEONYPJRTF-UHFFFAOYSA-N 0 0 309.416 3.275 20 10 DGCDRN CCN(CC)c1ccc(CN[C@H](CCO)c2ccco2)cc1F ZINC000184503276 432397582 /nfs/dbraw/zinc/39/75/82/432397582.db2.gz IYERYSMBGSUVNG-MRXNPFEDSA-N 0 0 320.408 3.478 20 10 DGCDRN C[C@H]([NH2+]Cc1cnn(C)c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192720982 432404856 /nfs/dbraw/zinc/40/48/56/432404856.db2.gz RJCXILQNYFWRML-QMMMGPOBSA-N 0 0 300.189 3.283 20 10 DGCDRN CC[C@@H](Nc1ccc(OCCC(N)=O)cc1)c1ccccc1O ZINC000192717852 432405580 /nfs/dbraw/zinc/40/55/80/432405580.db2.gz VTCJDRCYMNIEIN-MRXNPFEDSA-N 0 0 314.385 3.210 20 10 DGCDRN CCN(C(=O)c1cccc(O)c1O)[C@H](C)c1cccc(OC)c1 ZINC000193094070 432449004 /nfs/dbraw/zinc/44/90/04/432449004.db2.gz ADVJFHOGMRHLNZ-GFCCVEGCSA-N 0 0 315.369 3.330 20 10 DGCDRN Cc1cncc(/C=C\C(=O)N2C[C@H](C)C(=O)Nc3ccccc32)c1 ZINC000255092957 432408294 /nfs/dbraw/zinc/40/82/94/432408294.db2.gz ZVTOWBKICIJPDH-DANTVBBOSA-N 0 0 321.380 3.025 20 10 DGCDRN CN(C(=O)/C=C\c1ccc(Cl)nc1)c1cccc([N+](=O)[O-])c1 ZINC000255690825 432412240 /nfs/dbraw/zinc/41/22/40/432412240.db2.gz VJKBQQUIAUQDAV-VURMDHGXSA-N 0 0 317.732 3.319 20 10 DGCDRN CN(C(=O)/C=C\c1c(Cl)nc2sccn12)c1cccnc1 ZINC000255772150 432413732 /nfs/dbraw/zinc/41/37/32/432413732.db2.gz MGTSAAQNWITAFH-PLNGDYQASA-N 0 0 318.789 3.120 20 10 DGCDRN CC(C)c1nnc([C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)[nH]1 ZINC000271586607 432421325 /nfs/dbraw/zinc/42/13/25/432421325.db2.gz XOUQQNOJPFVACF-OLZOCXBDSA-N 0 0 301.438 3.406 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)CC[C@@H]1CC[C@@H](C)O1 ZINC000175866909 432472864 /nfs/dbraw/zinc/47/28/64/432472864.db2.gz KIDLWXXCYUKGCD-ZBFHGGJFSA-N 0 0 305.418 3.479 20 10 DGCDRN Cc1cc(C(=O)NC[C@H](C)CCO)c(C)n1-c1ccccc1C ZINC000154247014 432483909 /nfs/dbraw/zinc/48/39/09/432483909.db2.gz ABJLNGALJPKHPJ-CYBMUJFWSA-N 0 0 314.429 3.151 20 10 DGCDRN CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185512120 432507756 /nfs/dbraw/zinc/50/77/56/432507756.db2.gz JVHXTRLAOKJKGO-SOCHQFKDSA-N 0 0 324.273 3.462 20 10 DGCDRN COc1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])c1OC ZINC000185076839 432463000 /nfs/dbraw/zinc/46/30/00/432463000.db2.gz ZBNZLUWKEPXGTH-NSHDSACASA-N 0 0 305.349 3.399 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CCCN1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185142628 432470459 /nfs/dbraw/zinc/47/04/59/432470459.db2.gz IEGQAVQZGAAXPF-VHSXEESVSA-N 0 0 303.233 3.444 20 10 DGCDRN Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@H](O)C(F)(F)F ZINC000263642441 432560478 /nfs/dbraw/zinc/56/04/78/432560478.db2.gz AFEBDGTXKQTIKE-HNNXBMFYSA-N 0 0 311.303 3.072 20 10 DGCDRN COc1cccc(CNC(=O)C(C)(C)Cc2ccccc2)c1O ZINC000155546495 432561210 /nfs/dbraw/zinc/56/12/10/432561210.db2.gz JLVBBLCKEKFRCE-UHFFFAOYSA-N 0 0 313.397 3.286 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(F)cc1[O-] ZINC000186136258 432562212 /nfs/dbraw/zinc/56/22/12/432562212.db2.gz WUJKBQBVWXWIRB-NORZTCDRSA-N 0 0 311.422 3.237 20 10 DGCDRN CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])C1 ZINC000185657391 432520131 /nfs/dbraw/zinc/52/01/31/432520131.db2.gz JRDJJEMLORZWLR-BBLNCHDKSA-N 0 0 313.438 3.262 20 10 DGCDRN COc1ccc(COCC[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000185860945 432539742 /nfs/dbraw/zinc/53/97/42/432539742.db2.gz OZNMTSAWPPDWJD-CYBMUJFWSA-N 0 0 319.376 3.407 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@@H]1CCCOc2ccccc21 ZINC000263693321 432565810 /nfs/dbraw/zinc/56/58/10/432565810.db2.gz HAPMTOHLHBMHNK-OAHLLOKOSA-N 0 0 312.369 3.105 20 10 DGCDRN CC(C)(C)OCc1cc(CNCc2ccc3c(c2)CCO3)no1 ZINC000186424295 432594715 /nfs/dbraw/zinc/59/47/15/432594715.db2.gz JJRFUIXKMKULPE-UHFFFAOYSA-N 0 0 316.401 3.214 20 10 DGCDRN Cc1ccc([C@H](C)Nc2cccc(OCC(N)=O)c2)c(O)c1C ZINC000273475292 432601822 /nfs/dbraw/zinc/60/18/22/432601822.db2.gz KMUGMZVUVPMXSZ-ZDUSSCGKSA-N 0 0 314.385 3.046 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NC2Cc3ccccc3C2)cc1 ZINC000186707812 432623885 /nfs/dbraw/zinc/62/38/85/432623885.db2.gz XHVBVFOITJRYGQ-UHFFFAOYSA-N 0 0 323.440 3.061 20 10 DGCDRN COc1cccc([C@@H]2CCCN2C(=O)c2cccc(O)c2O)c1 ZINC000186835460 432633674 /nfs/dbraw/zinc/63/36/74/432633674.db2.gz SXRWVMUWVQEGIY-HNNXBMFYSA-N 0 0 313.353 3.084 20 10 DGCDRN C[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000264340005 432637123 /nfs/dbraw/zinc/63/71/23/432637123.db2.gz WEZXDMDZPWSXMW-PBHICJAKSA-N 0 0 301.434 3.275 20 10 DGCDRN CCCN(CCc1cccc(F)c1)C(=O)c1cccc(O)c1O ZINC000187093362 432644253 /nfs/dbraw/zinc/64/42/53/432644253.db2.gz PLZMEFKEMXKXIA-UHFFFAOYSA-N 0 0 317.360 3.332 20 10 DGCDRN CC[C@@H]1c2ccsc2CCN1C(=O)c1cccc(O)c1O ZINC000187073260 432644829 /nfs/dbraw/zinc/64/48/29/432644829.db2.gz PYNSHEUDZGDFGU-GFCCVEGCSA-N 0 0 303.383 3.309 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)CSC(F)(F)F ZINC000264135339 432618328 /nfs/dbraw/zinc/61/83/28/432618328.db2.gz TXAZANGKRGQWPP-UHFFFAOYSA-N 0 0 307.337 3.384 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C/c2cncc(F)c2)cc1F ZINC000159848869 432699138 /nfs/dbraw/zinc/69/91/38/432699138.db2.gz JXBQBZDLPUTJRQ-ZZXKWVIFSA-N 0 0 304.296 3.045 20 10 DGCDRN CCOC(C)(C)CNC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000187713063 432677845 /nfs/dbraw/zinc/67/78/45/432677845.db2.gz RCSKWYGBINGMKL-UHFFFAOYSA-N 0 0 321.465 3.099 20 10 DGCDRN Cc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)c(O)c1O ZINC000276160946 432778016 /nfs/dbraw/zinc/77/80/16/432778016.db2.gz FQADXFHLZNZNGM-SNVBAGLBSA-N 0 0 317.307 3.209 20 10 DGCDRN CCOC1CC(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000276569339 432819463 /nfs/dbraw/zinc/81/94/63/432819463.db2.gz HBPUQZCCTRDJQH-LKSINWNRSA-N 0 0 308.378 3.156 20 10 DGCDRN C/C=C(\CC)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000276568367 432820215 /nfs/dbraw/zinc/82/02/15/432820215.db2.gz REXRTZMZRSEJPR-TYMUOXQOSA-N 0 0 303.402 3.256 20 10 DGCDRN CC(C)Oc1ccc(N(C)Cc2nnc3n2CCCC3)cc1 ZINC000277169053 432830299 /nfs/dbraw/zinc/83/02/99/432830299.db2.gz KQRBYDYTIHJEBG-UHFFFAOYSA-N 0 0 300.406 3.038 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@@H](C)CCCC(=O)[O-])cc1F ZINC000277177971 432830523 /nfs/dbraw/zinc/83/05/23/432830523.db2.gz FBNAQLQRQRQPLI-ZDUSSCGKSA-N 0 0 310.413 3.405 20 10 DGCDRN CC[C@H](C)c1nnc([C@H](C)N[C@H](C)c2cc(OC)ccc2O)[nH]1 ZINC000277223590 432831226 /nfs/dbraw/zinc/83/12/26/432831226.db2.gz LMUYZDXPLXFUND-TUAOUCFPSA-N 0 0 318.421 3.444 20 10 DGCDRN CC[C@H](C)c1nnc([C@H](C)N[C@@H](C)c2cc(OC)ccc2O)[nH]1 ZINC000277223587 432831745 /nfs/dbraw/zinc/83/17/45/432831745.db2.gz LMUYZDXPLXFUND-SRVKXCTJSA-N 0 0 318.421 3.444 20 10 DGCDRN COc1cccc([C@@H]2CCCN2C(=O)Cc2ccc(N)cc2)c1 ZINC000237302054 432784286 /nfs/dbraw/zinc/78/42/86/432784286.db2.gz COUAKROLGFYMGB-SFHVURJKSA-N 0 0 310.397 3.184 20 10 DGCDRN Cc1ccccc1[C@@H]1CN(C(=O)Cc2ccc(N)cc2)[C@H](C)CO1 ZINC000237537209 432790380 /nfs/dbraw/zinc/79/03/80/432790380.db2.gz VFANOJLCGLOJAE-BEFAXECRSA-N 0 0 324.424 3.108 20 10 DGCDRN C[C@H]1CN(C(=O)Cc2ccc(N)cc2)CC[C@@H]1c1ccccc1 ZINC000237612227 432793549 /nfs/dbraw/zinc/79/35/49/432793549.db2.gz DAAXGGGORCDQOE-KXBFYZLASA-N 0 0 308.425 3.464 20 10 DGCDRN COc1cc(C)cc(C)c1S(=O)(=O)Nc1ccc(O)cc1C ZINC000277587661 432862245 /nfs/dbraw/zinc/86/22/45/432862245.db2.gz VHPZCWJQVSMKHM-UHFFFAOYSA-N 0 0 321.398 3.127 20 10 DGCDRN CCOc1ccccc1NC(=O)COc1ccc(N(C)C)cc1 ZINC000277983781 432880171 /nfs/dbraw/zinc/88/01/71/432880171.db2.gz YRFLIAZTKAFONX-UHFFFAOYSA-N 0 0 314.385 3.169 20 10 DGCDRN CC[C@@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1cccc(Cl)c1[O-] ZINC000296241640 432887924 /nfs/dbraw/zinc/88/79/24/432887924.db2.gz CNINCCYERADRSD-GFCCVEGCSA-N 0 0 306.797 3.282 20 10 DGCDRN CCn1cnnc1C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278323655 432890712 /nfs/dbraw/zinc/89/07/12/432890712.db2.gz VHRYZBUUGYUFGA-QMMMGPOBSA-N 0 0 315.204 3.161 20 10 DGCDRN CCCCCC(=O)NCc1cccc(Br)c1O ZINC000277470011 432852677 /nfs/dbraw/zinc/85/26/77/432852677.db2.gz HTIVJJXPBFJRSE-UHFFFAOYSA-N 0 0 300.196 3.351 20 10 DGCDRN c1nnc(COc2ccc(N3CCCC3)cc2)n1-c1ccccc1 ZINC000277474716 432853856 /nfs/dbraw/zinc/85/38/56/432853856.db2.gz BAERTUKLAPGFRL-UHFFFAOYSA-N 0 0 320.396 3.447 20 10 DGCDRN CCC(CC)n1ncc(C(=O)NCc2ccc(N)cc2)c1C ZINC000296852873 432932292 /nfs/dbraw/zinc/93/22/92/432932292.db2.gz CQDWSXLKFNMLOT-UHFFFAOYSA-N 0 0 300.406 3.065 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(CO)c(F)c1 ZINC000278883829 432912857 /nfs/dbraw/zinc/91/28/57/432912857.db2.gz OAUPECYUPCSHIK-UHFFFAOYSA-N 0 0 317.360 3.076 20 10 DGCDRN COc1cc(O)c(CNc2ccc(F)c([C@@H](C)O)c2)cc1OC ZINC000289725855 432973073 /nfs/dbraw/zinc/97/30/73/432973073.db2.gz PMWPSLSVYXOPGB-SNVBAGLBSA-N 0 0 321.348 3.214 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1O ZINC000289721565 432973825 /nfs/dbraw/zinc/97/38/25/432973825.db2.gz JRAFFRCNDZSJDC-DOTOQJQBSA-N 0 0 321.392 3.123 20 10 DGCDRN C[C@@H]([NH2+]CCc1cn[nH]c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000289787326 432974078 /nfs/dbraw/zinc/97/40/78/432974078.db2.gz NAQIWOKYJDAOEC-MRVPVSSYSA-N 0 0 300.189 3.315 20 10 DGCDRN CCOCc1nc([C@@H](C)N[C@@H](CC)c2ccc(F)cc2O)no1 ZINC000290034569 432983137 /nfs/dbraw/zinc/98/31/37/432983137.db2.gz DCQVDKYKMDZPJG-MFKMUULPSA-N 0 0 323.368 3.253 20 10 DGCDRN CO[C@@H]1CCC[C@@H](CC(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000279669104 432989346 /nfs/dbraw/zinc/98/93/46/432989346.db2.gz HLOPVKRXWMBZEU-UKRRQHHQSA-N 0 0 322.424 3.103 20 10 DGCDRN CCCCCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000279939446 432997255 /nfs/dbraw/zinc/99/72/55/432997255.db2.gz QZFBOENIMXJVIZ-UHFFFAOYSA-N 0 0 310.781 3.000 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C\c1c(F)ccc(O)c1F ZINC000280085906 433001604 /nfs/dbraw/zinc/00/16/04/433001604.db2.gz RYNHBZDZAQNDNH-WQLSENKSSA-N 0 0 324.352 3.127 20 10 DGCDRN CCCOc1ccc(C[N@@H+]2CC[C@](CO)(CCC)C2)c(O)c1 ZINC000290169218 433004775 /nfs/dbraw/zinc/00/47/75/433004775.db2.gz MQTDASAAZWKVRY-GOSISDBHSA-N 0 0 307.434 3.166 20 10 DGCDRN CCOCc1nc([C@@H](C)N[C@H](CC)c2ccc(C)cc2O)no1 ZINC000290183163 433008501 /nfs/dbraw/zinc/00/85/01/433008501.db2.gz NSGXJGGFGNQJBD-TZMCWYRMSA-N 0 0 319.405 3.422 20 10 DGCDRN COCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185468006 292723644 /nfs/dbraw/zinc/72/36/44/292723644.db2.gz UCOQDIBQYRGDGB-OTYXRUKQSA-N 0 0 322.232 3.137 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@@](C)(OC)CC2)cc1OC ZINC000373670490 433158381 /nfs/dbraw/zinc/15/83/81/433158381.db2.gz HKDPPRQWHQAKOB-MRXNPFEDSA-N 0 0 324.377 3.007 20 10 DGCDRN COCCCCc1cccnc1NCc1cc(OC)ccc1O ZINC000291123714 433225468 /nfs/dbraw/zinc/22/54/68/433225468.db2.gz VFYXDBXHZFGQSI-UHFFFAOYSA-N 0 0 316.401 3.377 20 10 DGCDRN CSC[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000291594296 433282972 /nfs/dbraw/zinc/28/29/72/433282972.db2.gz GNQSHWMSCZIGCX-HNNXBMFYSA-N 0 0 321.490 3.037 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](F)CC1CCCCC1 ZINC000281333937 433291136 /nfs/dbraw/zinc/29/11/36/433291136.db2.gz VPRIRXSYPRIGFZ-DOMZBBRYSA-N 0 0 323.408 3.454 20 10 DGCDRN C[C@H]([NH2+]CCC[C@@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000274081280 289956846 /nfs/dbraw/zinc/95/68/46/289956846.db2.gz WFEQQYQEKLLUJE-JSGCOSHPSA-N 0 0 308.378 3.300 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc(F)c(F)c1[O-] ZINC000191193841 289963478 /nfs/dbraw/zinc/96/34/78/289963478.db2.gz TXGCWQURTGLOLX-LKFCYVNXSA-N 0 0 311.303 3.194 20 10 DGCDRN CO[C@H](C)c1noc(COc2ccc3c(c2)c(C)c(C)n3C)n1 ZINC000421199211 433458140 /nfs/dbraw/zinc/45/81/40/433458140.db2.gz MKIBRACBVUJZBW-GFCCVEGCSA-N 0 0 315.373 3.465 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCCC(F)(F)C2)cc1F ZINC000282124734 433502356 /nfs/dbraw/zinc/50/23/56/433502356.db2.gz KSNUFCIAGAIAJY-GFCCVEGCSA-N 0 0 314.351 3.333 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000282119364 433504295 /nfs/dbraw/zinc/50/42/95/433504295.db2.gz AQPHAUNQUDQVRU-SFHVURJKSA-N 0 0 317.816 3.359 20 10 DGCDRN CC(C)(Cc1nc2ccccc2[nH]1)C(=O)NCc1ccccc1O ZINC000282958158 433642659 /nfs/dbraw/zinc/64/26/59/433642659.db2.gz ZSGNTUQBELDWRP-UHFFFAOYSA-N 0 0 323.396 3.154 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(F)cn1 ZINC000282510724 433613060 /nfs/dbraw/zinc/61/30/60/433613060.db2.gz OLIBJCMIWSOQPT-UHFFFAOYSA-N 0 0 302.349 3.369 20 10 DGCDRN CO[C@H]1Cc2ccccc2N(C(=O)/C=C/c2cnccc2C)C1 ZINC000283176147 433683814 /nfs/dbraw/zinc/68/38/14/433683814.db2.gz DTTWRMMZDVDLJD-OZSKJFCKSA-N 0 0 308.381 3.008 20 10 DGCDRN COC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000273447791 293157863 /nfs/dbraw/zinc/15/78/63/293157863.db2.gz FLNOIHAAEABZBF-LRDDRELGSA-N 0 0 316.357 3.339 20 10 DGCDRN CN(C)C(=O)Sc1ccccc1NC(=O)C1=CC(=O)CS1 ZINC001632356563 1194384240 /nfs/dbraw/zinc/38/42/40/1194384240.db2.gz JHAGJORPUNDZTC-UHFFFAOYSA-N 0 0 322.411 3.480 20 10 DGCDRN Cc1nsc(C)c1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000293568781 433787054 /nfs/dbraw/zinc/78/70/54/433787054.db2.gz BJCRDANFMYGLRR-UHFFFAOYSA-N 0 0 316.426 3.274 20 10 DGCDRN CCOc1ccc(O)c(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1 ZINC000293580030 433790146 /nfs/dbraw/zinc/79/01/46/433790146.db2.gz HRAALBIQYKLWDQ-SFHVURJKSA-N 0 0 317.429 3.182 20 10 DGCDRN COc1ccc(O)c([C@@H](C)Nc2ccc(C(F)(F)F)nn2)c1 ZINC000301994079 433808337 /nfs/dbraw/zinc/80/83/37/433808337.db2.gz NWGJUAFVOUAGMU-MRVPVSSYSA-N 0 0 313.279 3.383 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1cncc(OC(C)C)n1 ZINC000302271312 433819583 /nfs/dbraw/zinc/81/95/83/433819583.db2.gz HHJFHFFNPXDZKO-UHFFFAOYSA-N 0 0 300.406 3.250 20 10 DGCDRN CN(Cc1cc2c(cc1O)OCO2)Cc1c(F)cccc1F ZINC000293754038 433853915 /nfs/dbraw/zinc/85/39/15/433853915.db2.gz XDTRIWRGXUYEIM-UHFFFAOYSA-N 0 0 307.296 3.031 20 10 DGCDRN COCC[N@H+](Cc1cccnc1)Cc1cc(Cl)c(F)cc1[O-] ZINC000293816308 433881096 /nfs/dbraw/zinc/88/10/96/433881096.db2.gz FMDDQUWQPNZDGC-UHFFFAOYSA-N 0 0 324.783 3.228 20 10 DGCDRN CCC[C@@]1(CO)CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000377836110 434013409 /nfs/dbraw/zinc/01/34/09/434013409.db2.gz YYZRVNIYOSHZOQ-OAHLLOKOSA-N 0 0 301.789 3.169 20 10 DGCDRN CC[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000285703040 434044869 /nfs/dbraw/zinc/04/48/69/434044869.db2.gz PCXPXMAXSLTTKP-RDJZCZTQSA-N 0 0 307.340 3.445 20 10 DGCDRN Nc1ccc(CC(=O)N[C@@H](c2ccccc2)C2CCOCC2)cc1 ZINC000378214197 434114512 /nfs/dbraw/zinc/11/45/12/434114512.db2.gz BODGAEJZTWKQEW-FQEVSTJZSA-N 0 0 324.424 3.095 20 10 DGCDRN Cc1sccc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000294849164 434150099 /nfs/dbraw/zinc/15/00/99/434150099.db2.gz FLZKIOTUWGUGHW-UHFFFAOYSA-N 0 0 302.399 3.162 20 10 DGCDRN Cc1cccc([C@H]2CCN(C(=O)c3c(F)ccc(O)c3O)C2)c1 ZINC000294962902 434156468 /nfs/dbraw/zinc/15/64/68/434156468.db2.gz NOOMUSYSMFYBBT-ZDUSSCGKSA-N 0 0 315.344 3.175 20 10 DGCDRN CN(CCCCc1ccccc1)C(=O)c1c(F)ccc(O)c1O ZINC000294991747 434159978 /nfs/dbraw/zinc/15/99/78/434159978.db2.gz ZARDMXCQDDNNHL-UHFFFAOYSA-N 0 0 317.360 3.332 20 10 DGCDRN Cc1cc(C)c([C@@H](C)NCc2ncn(-c3ccccc3)n2)c(O)c1 ZINC000295026587 434160278 /nfs/dbraw/zinc/16/02/78/434160278.db2.gz OCVOXCOOTIRNDF-OAHLLOKOSA-N 0 0 322.412 3.441 20 10 DGCDRN CCN(Cc1nc(-c2ccccn2)no1)c1ccc(OC)cc1 ZINC000364565742 434276050 /nfs/dbraw/zinc/27/60/50/434276050.db2.gz WJLHKFVBKXYQQX-UHFFFAOYSA-N 0 0 310.357 3.167 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000365260153 434296925 /nfs/dbraw/zinc/29/69/25/434296925.db2.gz SNJAXTBBISBYLG-SNVBAGLBSA-N 0 0 309.772 3.287 20 10 DGCDRN CC(C)[NH2+]C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295455788 434371243 /nfs/dbraw/zinc/37/12/43/434371243.db2.gz VOECEKUVIYXJCW-UHFFFAOYSA-N 0 0 300.805 3.147 20 10 DGCDRN CC[C@@H]([NH2+]CCC(=O)N(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000287882888 434470233 /nfs/dbraw/zinc/47/02/33/434470233.db2.gz YNXWJXYMIOEXPG-GFCCVEGCSA-N 0 0 319.232 3.218 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H](COC)OC)c1cc(Cl)cc(Cl)c1[O-] ZINC000287885170 434472726 /nfs/dbraw/zinc/47/27/26/434472726.db2.gz YQSCOFXIGFNFNR-GXFFZTMASA-N 0 0 322.232 3.401 20 10 DGCDRN Cc1cc(C(=O)N2CCC(CF)CC2)c(C)n1-c1ccccn1 ZINC000296045714 434489089 /nfs/dbraw/zinc/48/90/89/434489089.db2.gz XKLPIAUFBVKRSI-UHFFFAOYSA-N 0 0 315.392 3.311 20 10 DGCDRN CCOc1ccc(O)c(CN2CCCC[C@H]2c2noc(C)n2)c1 ZINC000367475476 434547910 /nfs/dbraw/zinc/54/79/10/434547910.db2.gz ZUBPDJTZJXHNCU-HNNXBMFYSA-N 0 0 317.389 3.210 20 10 DGCDRN O=C(/C=C\c1cncs1)N1CCCc2cc(F)c(F)cc21 ZINC000493166346 295409796 /nfs/dbraw/zinc/40/97/96/295409796.db2.gz YHPCBJTUKASXHM-ARJAWSKDSA-N 0 0 306.337 3.414 20 10 DGCDRN C[C@@H]1CCC[C@]1(C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000410533572 434651983 /nfs/dbraw/zinc/65/19/83/434651983.db2.gz JTOZOGCYDJPVFD-ACJLOTCBSA-N 0 0 302.418 3.304 20 10 DGCDRN COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2OCCc3ccccc32)c1 ZINC000371546739 434729989 /nfs/dbraw/zinc/72/99/89/434729989.db2.gz NZKZLFSYQPNCOK-YJYMSZOUSA-N 0 0 313.397 3.365 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1OCCc2ccccc21)c1cc(F)ccc1O ZINC000371869751 434764872 /nfs/dbraw/zinc/76/48/72/434764872.db2.gz KEVJZJSOSWXRIO-KZULUSFZSA-N 0 0 301.361 3.496 20 10 DGCDRN CN(C(=O)/C=C/c1cncc(F)c1)c1ccc2ccccc2n1 ZINC000491905245 434879800 /nfs/dbraw/zinc/87/98/00/434879800.db2.gz NUHOFLZDEAKVPH-RMKNXTFCSA-N 0 0 307.328 3.445 20 10 DGCDRN COc1cncc(/C=C/C(=O)N(C)c2ccc3cc[nH]c3c2)c1 ZINC000492016665 434900927 /nfs/dbraw/zinc/90/09/27/434900927.db2.gz HBWKGYPALXOZNJ-ZZXKWVIFSA-N 0 0 307.353 3.248 20 10 DGCDRN CCN(C(=O)/C=C\c1ccccc1-n1cccn1)c1cccnc1 ZINC000492037390 434904249 /nfs/dbraw/zinc/90/42/49/434904249.db2.gz YUSXKBXOSLGAIY-KHPPLWFESA-N 0 0 318.380 3.334 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC1(CF)CCC1 ZINC000574913964 435005449 /nfs/dbraw/zinc/00/54/49/435005449.db2.gz SELYZXAIDIRHFV-UHFFFAOYSA-N 0 0 303.381 3.178 20 10 DGCDRN CCN(C(=O)/C=C/c1cnc2ccccc2n1)c1cccnc1C ZINC000493405204 435164676 /nfs/dbraw/zinc/16/46/76/435164676.db2.gz XDIOGMPFVODXOZ-ZHACJKMWSA-N 0 0 318.380 3.400 20 10 DGCDRN O=C(/C=C/c1cnccn1)N(Cc1ccco1)c1ccccc1 ZINC000491188599 435712263 /nfs/dbraw/zinc/71/22/63/435712263.db2.gz XMKAOKWFLWEMIK-CMDGGOBGSA-N 0 0 305.337 3.316 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNc1ccc2c(c1)CCNC2=O ZINC000656778051 436040103 /nfs/dbraw/zinc/04/01/03/436040103.db2.gz JYZIMANCKVARMH-UHFFFAOYSA-N 0 0 319.408 3.385 20 10 DGCDRN CO[C@@H](COc1ccc2c(c1)c(C)c(C)n2C)[C@@H]1CCOC1 ZINC000664097933 436557333 /nfs/dbraw/zinc/55/73/33/436557333.db2.gz HWOURQVOZDOYEZ-KDOFPFPSSA-N 0 0 303.402 3.225 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC2CCC1CC2 ZINC000560084429 332309798 /nfs/dbraw/zinc/30/97/98/332309798.db2.gz SQKWGFXACZLQEZ-ZBCRRDGASA-N 0 0 314.429 3.304 20 10 DGCDRN C/C=C(\C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000176283156 333111112 /nfs/dbraw/zinc/11/11/12/333111112.db2.gz LTCCUHFBCIKOFQ-QQFGACLNSA-N 0 0 324.371 3.339 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(CC)CCOCC1 ZINC000272275117 334032576 /nfs/dbraw/zinc/03/25/76/334032576.db2.gz CXQPELCSHVJGRH-UHFFFAOYSA-N 0 0 318.461 3.308 20 10 DGCDRN C[C@H](Sc1nccs1)C(=O)N(C)Cc1cccc(F)c1 ZINC000299076770 334252896 /nfs/dbraw/zinc/25/28/96/334252896.db2.gz ZDOBACKIHHHDLC-JTQLQIEISA-N 0 0 310.419 3.421 20 10 DGCDRN c1csc(Sc2cc(-c3ccccc3)nc3ncnn32)n1 ZINC000301063575 336288047 /nfs/dbraw/zinc/28/80/47/336288047.db2.gz CQYFGQYNFSYJMR-UHFFFAOYSA-N 0 0 311.395 3.399 20 10 DGCDRN O=[N+]([O-])c1cc(Cl)ccc1NCCc1ccc(O)c(O)c1 ZINC000302784020 336368968 /nfs/dbraw/zinc/36/89/68/336368968.db2.gz UJZWNEQFJDSOAR-UHFFFAOYSA-N 0 0 308.721 3.314 20 10 DGCDRN CCCC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000372551684 336934416 /nfs/dbraw/zinc/93/44/16/336934416.db2.gz DQKZKFJTLXUFKO-UHFFFAOYSA-N 0 0 312.360 3.173 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCOC(C)(C)C ZINC000527157301 337734119 /nfs/dbraw/zinc/73/41/19/337734119.db2.gz LRJURMKPDAUEOD-UHFFFAOYSA-N 0 0 317.433 3.101 20 10 DGCDRN COc1ccc(Cl)cc1N(C)C(=O)/C=C/c1cnn(C)c1C ZINC000121436307 337893008 /nfs/dbraw/zinc/89/30/08/337893008.db2.gz SNZOBKKUYNOHHW-VMPITWQZSA-N 0 0 319.792 3.067 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCCO[C@H](C)C2)cc1 ZINC000171276572 533718348 /nfs/dbraw/zinc/71/83/48/533718348.db2.gz JKYIPGZZTOWHCN-MRXNPFEDSA-N 0 0 312.413 3.345 20 10 DGCDRN CC(C)(C)n1nccc1NC(=O)c1ccc(C2=S=CC=C2)o1 ZINC000544021195 341066977 /nfs/dbraw/zinc/06/69/77/341066977.db2.gz KRFFHIDPEZJHLX-UHFFFAOYSA-N 0 0 315.398 3.109 20 10 DGCDRN CSc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)ccn1 ZINC000299061384 534134795 /nfs/dbraw/zinc/13/47/95/534134795.db2.gz NYVSGKYYDABDAV-UHFFFAOYSA-N 0 0 315.442 3.142 20 10 DGCDRN CC(C)(C)Cc1cc(NC(=O)C=Cc2ccc(O)c(O)c2)n[nH]1 ZINC000180812972 518698989 /nfs/dbraw/zinc/69/89/89/518698989.db2.gz VXPOGWBZAGVRRN-FNORWQNLSA-N 0 0 315.373 3.061 20 10 DGCDRN O=C(Nc1ccnc2ccncc21)c1ccc(C2=S=CC=C2)o1 ZINC000341135254 534419152 /nfs/dbraw/zinc/41/91/52/534419152.db2.gz LFOSKVCAWMMUME-UHFFFAOYSA-N 0 0 321.361 3.101 20 10 DGCDRN CCCCCc1nnc(NC(=O)Cc2ccc(N)cc2)s1 ZINC000236692040 520327346 /nfs/dbraw/zinc/32/73/46/520327346.db2.gz RVUHZINIOIJDBC-UHFFFAOYSA-N 0 0 304.419 3.034 20 10 DGCDRN CCCOc1ccc(CCC(=O)NCc2ccccc2O)cc1 ZINC000266528873 520343287 /nfs/dbraw/zinc/34/32/87/520343287.db2.gz JTFCEKFEASDZAX-UHFFFAOYSA-N 0 0 313.397 3.430 20 10 DGCDRN CCS[C@@H]1CCC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180843721 521725693 /nfs/dbraw/zinc/72/56/93/521725693.db2.gz NKLLVTWWYUKHRX-LUIPGBGBSA-N 0 0 321.442 3.292 20 10 DGCDRN CC[C@H](C)Oc1ccc(C(=O)NCCc2ccc(N)cc2)cc1 ZINC000237020043 521766582 /nfs/dbraw/zinc/76/65/82/521766582.db2.gz ATFQYPAVINRRQO-AWEZNQCLSA-N 0 0 312.413 3.419 20 10 DGCDRN CC[C@@H](C)CN(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000127980728 521959854 /nfs/dbraw/zinc/95/98/54/521959854.db2.gz TUTZAOXOSUJHKA-OAHLLOKOSA-N 0 0 301.434 3.250 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)c2ccc(F)nc2)C2CC2)cc1 ZINC000265116700 522164101 /nfs/dbraw/zinc/16/41/01/522164101.db2.gz ZAAQGZYSXANLNF-UHFFFAOYSA-N 0 0 313.376 3.092 20 10 DGCDRN COCc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cc1 ZINC000132533334 522942553 /nfs/dbraw/zinc/94/25/53/522942553.db2.gz GDJZJYJSGSUVEZ-PTNGSMBKSA-N 0 0 316.426 3.289 20 10 DGCDRN COCCC1(C(=O)N(C)Cc2ccc(N(C)C)cc2)CCCC1 ZINC000160000729 522998636 /nfs/dbraw/zinc/99/86/36/522998636.db2.gz ABEYKFNXVGHBFN-UHFFFAOYSA-N 0 0 318.461 3.308 20 10 DGCDRN CO[C@@H](C)c1nc(CNCc2ccc3c(c2)CCO3)cs1 ZINC000267648780 523474607 /nfs/dbraw/zinc/47/46/07/523474607.db2.gz TWTWYBWLOAHVQL-NSHDSACASA-N 0 0 304.415 3.075 20 10 DGCDRN CC[C@](C)(NC(=O)/C=C/c1ccc(O)c(O)c1)c1nccs1 ZINC000180802240 523474489 /nfs/dbraw/zinc/47/44/89/523474489.db2.gz RVPJLMHMRMYXQX-YERXGYGTSA-N 0 0 318.398 3.009 20 10 DGCDRN CO[C@@H](C)c1nc(CNCc2ccc(N(C)C)c(F)c2)cs1 ZINC000267598879 523475886 /nfs/dbraw/zinc/47/58/86/523475886.db2.gz DBUCYGHQZFFBCE-NSHDSACASA-N 0 0 323.437 3.345 20 10 DGCDRN COCCN(C(=O)Cc1ccc(N)cc1)[C@H](C)c1ccccc1 ZINC000269255801 523539333 /nfs/dbraw/zinc/53/93/33/523539333.db2.gz XINOTMAOMRZFON-OAHLLOKOSA-N 0 0 312.413 3.048 20 10 DGCDRN CC[C@H](C(=O)NCCc1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000127479644 523778164 /nfs/dbraw/zinc/77/81/64/523778164.db2.gz UUTYNWHCWGWVNZ-HNNXBMFYSA-N 0 0 317.360 3.089 20 10 DGCDRN COC(=O)[C@H](NCc1cc(C)ccc1O)c1cc(C)cc(C)c1 ZINC000189635857 523927487 /nfs/dbraw/zinc/92/74/87/523927487.db2.gz TXGKJODUVNFPFF-GOSISDBHSA-N 0 0 313.397 3.321 20 10 DGCDRN COc1ccc(CN(C)Cc2c(O)cccc2Cl)cc1O ZINC000131302720 524004868 /nfs/dbraw/zinc/00/48/68/524004868.db2.gz DVXVRHAVUZLETI-UHFFFAOYSA-N 0 0 307.777 3.392 20 10 DGCDRN Cc1cc(C(=O)NC[C@@H](C)CCO)c(C)n1-c1ccccc1C ZINC000154246917 524087139 /nfs/dbraw/zinc/08/71/39/524087139.db2.gz ABJLNGALJPKHPJ-ZDUSSCGKSA-N 0 0 314.429 3.151 20 10 DGCDRN Cc1cc(C(=O)NCc2cnn(C)c2C)c(C)n1-c1ccccc1 ZINC000179892103 524111651 /nfs/dbraw/zinc/11/16/51/524111651.db2.gz UWGKLWZYNHCEIW-UHFFFAOYSA-N 0 0 322.412 3.066 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(CCOC3)C2)cc1 ZINC000154573615 524217934 /nfs/dbraw/zinc/21/79/34/524217934.db2.gz JGPAKUUMXHFOGB-HXUWFJFHSA-N 0 0 324.424 3.347 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CC[C@H](O)CC2)cc1 ZINC000153424851 524218682 /nfs/dbraw/zinc/21/86/82/524218682.db2.gz DCOXYWUOXWMROR-MAEOIBBWSA-N 0 0 312.413 3.127 20 10 DGCDRN C[C@H](CCc1cccc(F)c1)C(=O)NCCc1ccc(N)cc1 ZINC000237502777 524237306 /nfs/dbraw/zinc/23/73/06/524237306.db2.gz CTLHILSNNGYBBR-CQSZACIVSA-N 0 0 314.404 3.336 20 10 DGCDRN O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000180911135 534775112 /nfs/dbraw/zinc/77/51/12/534775112.db2.gz RVLGLUCKYIVUFT-KRXBUXKQSA-N 0 0 321.336 3.140 20 10 DGCDRN COc1ccc(N(C)CCCCCn2cccn2)c(OC)c1 ZINC000132017566 524350716 /nfs/dbraw/zinc/35/07/16/524350716.db2.gz NNXVIZUUFSWVSH-UHFFFAOYSA-N 0 0 303.406 3.207 20 10 DGCDRN COc1ccc(N2CCN(C(=O)[C@@H](C)C(C)(C)C)CC2)cc1F ZINC000267967830 524414302 /nfs/dbraw/zinc/41/43/02/524414302.db2.gz MUQXRIAYPNJBHA-CYBMUJFWSA-N 0 0 322.424 3.165 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@@H]2CCCc3sccc32)c1 ZINC000156202566 524750022 /nfs/dbraw/zinc/75/00/22/524750022.db2.gz XKJFKBCIUGUOIC-CQSZACIVSA-N 0 0 317.410 3.199 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1C[C@H](C)C[C@H](C)C1 ZINC000186391509 524892784 /nfs/dbraw/zinc/89/27/84/524892784.db2.gz HFVWREOQTHAOKK-SXBYAPGRSA-N 0 0 305.418 3.217 20 10 DGCDRN C[C@H]([NH2+]Cc1cccc2c1OCO2)c1ccc(F)c(F)c1[O-] ZINC000191213232 525460316 /nfs/dbraw/zinc/46/03/16/525460316.db2.gz WIFFEVQBARFODK-VIFPVBQESA-N 0 0 307.296 3.250 20 10 DGCDRN COc1cccc(CNC(=O)N[C@@H]2CCCCC2(C)C)c1O ZINC000157163666 525988848 /nfs/dbraw/zinc/98/88/48/525988848.db2.gz IPBZPAFXORDHOE-CQSZACIVSA-N 0 0 306.406 3.169 20 10 DGCDRN Cc1ccc(C(=O)N2CCC(OCCC(C)C)CC2)c(O)c1O ZINC000182105654 526083769 /nfs/dbraw/zinc/08/37/69/526083769.db2.gz CDFJBJZLHNBETK-UHFFFAOYSA-N 0 0 321.417 3.074 20 10 DGCDRN c1ccn2nc(NCc3ccc(N4CCCCC4)cc3)nc2c1 ZINC000195013832 526523870 /nfs/dbraw/zinc/52/38/70/526523870.db2.gz WKWDVMNJBFQOMG-UHFFFAOYSA-N 0 0 307.401 3.332 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(F)cn1 ZINC000187961984 526681472 /nfs/dbraw/zinc/68/14/72/526681472.db2.gz WZKHCNCLAWTHRT-UHFFFAOYSA-N 0 0 314.364 3.143 20 10 DGCDRN CC(C)(CNC(=O)Cc1ccc(N)cc1)c1ccc(F)cc1 ZINC000156195638 527110741 /nfs/dbraw/zinc/11/07/41/527110741.db2.gz FMRPYJLDPNVAOA-UHFFFAOYSA-N 0 0 300.377 3.044 20 10 DGCDRN CC(=O)c1ccc(N2CC=C(c3c[nH]c4ncccc34)CC2)nc1 ZINC000356490671 527287176 /nfs/dbraw/zinc/28/71/76/527287176.db2.gz NLCPWHIRSNILAI-UHFFFAOYSA-N 0 0 318.380 3.454 20 10 DGCDRN Nc1ccc(CC(=O)NCC2(Sc3ccccc3)CC2)cc1 ZINC000237898548 527476419 /nfs/dbraw/zinc/47/64/19/527476419.db2.gz HXUASVASYNBOCR-UHFFFAOYSA-N 0 0 312.438 3.252 20 10 DGCDRN Nc1ccc(CC(=O)NCC2(c3ccccc3)CCCC2)cc1 ZINC000237899406 527476956 /nfs/dbraw/zinc/47/69/56/527476956.db2.gz KUMXWDUIMSBWMF-UHFFFAOYSA-N 0 0 308.425 3.440 20 10 DGCDRN Nc1ccc(CCNC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000237947066 527480758 /nfs/dbraw/zinc/48/07/58/527480758.db2.gz CSVZTGLUKFOHLP-GJZGRUSLSA-N 0 0 316.351 3.009 20 10 DGCDRN Nc1ccc(CCNC(=O)[C@H]2C[C@]23CCCc2ccccc23)cc1 ZINC000238079211 527481349 /nfs/dbraw/zinc/48/13/49/527481349.db2.gz XPGUKAYQIFUUNW-CTNGQTDRSA-N 0 0 320.436 3.222 20 10 DGCDRN Nc1ccc(NC(=O)[C@H]2CCCN2Cc2ccc(F)cc2)cc1 ZINC000238001326 527493007 /nfs/dbraw/zinc/49/30/07/527493007.db2.gz DCDWYEXACMUDMK-QGZVFWFLSA-N 0 0 313.376 3.011 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1nc2c(s1)CCCC2 ZINC000180893272 527615870 /nfs/dbraw/zinc/61/58/70/527615870.db2.gz TYIWIWCLQZVYKR-SOFGYWHQSA-N 0 0 316.382 3.085 20 10 DGCDRN FC(F)Oc1ccc(N2CCC[C@H](Nc3cnccn3)C2)cc1 ZINC000266280096 527696204 /nfs/dbraw/zinc/69/62/04/527696204.db2.gz SZDNKWMXVVRGIR-LBPRGKRZSA-N 0 0 320.343 3.159 20 10 DGCDRN CCCN(Cc1ccccc1O)c1ccc([N+](=O)[O-])c(C)n1 ZINC000301778957 528148585 /nfs/dbraw/zinc/14/85/85/528148585.db2.gz RXTFCMKQGAXYRC-UHFFFAOYSA-N 0 0 301.346 3.420 20 10 DGCDRN CCCC[C@@H](NCc1ccc(OC)c(COCC)c1)C(=O)OC ZINC000274847604 534934185 /nfs/dbraw/zinc/93/41/85/534934185.db2.gz AMFVJXNKPOBFPG-MRXNPFEDSA-N 0 0 323.433 3.053 20 10 DGCDRN CC1(C)CN(C(=O)c2cccc(O)c2O)[C@H]1c1cccs1 ZINC000288477621 535350586 /nfs/dbraw/zinc/35/05/86/535350586.db2.gz CDRXUSWFOKHQKL-AWEZNQCLSA-N 0 0 303.383 3.383 20 10 DGCDRN CC[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc(F)cc1[O-] ZINC000286299429 535908702 /nfs/dbraw/zinc/90/87/02/535908702.db2.gz WPLBYIHJPAHRTI-PBHICJAKSA-N 0 0 303.377 3.348 20 10 DGCDRN COC(C)(C)CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000278591941 536882850 /nfs/dbraw/zinc/88/28/50/536882850.db2.gz UBUHTBWJMHAOLG-UHFFFAOYSA-N 0 0 306.450 3.305 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC000456020640 546874389 /nfs/dbraw/zinc/87/43/89/546874389.db2.gz GLXPXPODWGDYKQ-DLBZAZTESA-N 0 0 319.408 3.302 20 10 DGCDRN Cc1ncccc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000731005167 574541383 /nfs/dbraw/zinc/54/13/83/574541383.db2.gz MQRXCRNEVOOOIK-UHFFFAOYSA-N 0 0 309.413 3.310 20 10 DGCDRN COc1ccc(N(CC(=O)NCC2CCC2)CC(C)C)cc1 ZINC000731211904 574545658 /nfs/dbraw/zinc/54/56/58/574545658.db2.gz HQPLYEIFWSJDGU-UHFFFAOYSA-N 0 0 304.434 3.074 20 10 DGCDRN COc1ccc(C2([NH2+]Cc3cc([N+](=O)[O-])ccc3[O-])CC2)cc1 ZINC000731678623 574556815 /nfs/dbraw/zinc/55/68/15/574556815.db2.gz SZTPLGATJJCIHR-UHFFFAOYSA-N 0 0 314.341 3.088 20 10 DGCDRN O=C(NCCCCOc1ccc(F)cc1)C1=CC(=O)CS1 ZINC000731868694 574561453 /nfs/dbraw/zinc/56/14/53/574561453.db2.gz PJABUDZUVQBESR-UHFFFAOYSA-N 0 0 309.362 3.182 20 10 DGCDRN COc1cc(F)cc2sc(NC(=O)C3=CC(=O)CS3)nc21 ZINC000732287688 574570977 /nfs/dbraw/zinc/57/09/77/574570977.db2.gz ZQTOFIUZYXQRFL-UHFFFAOYSA-N 0 0 324.358 3.463 20 10 DGCDRN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000732275824 574569808 /nfs/dbraw/zinc/56/98/08/574569808.db2.gz CJCQNSZZZFFSDW-JSGCOSHPSA-N 0 0 316.426 3.019 20 10 DGCDRN O=C(NCc1cccc(OCC(F)F)c1)C1=CC(=O)CS1 ZINC000732282358 574570441 /nfs/dbraw/zinc/57/04/41/574570441.db2.gz MSZGUWYYLBEPSG-UHFFFAOYSA-N 0 0 313.325 3.028 20 10 DGCDRN O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)C1=CC(=O)CS1 ZINC000732282529 574570582 /nfs/dbraw/zinc/57/05/82/574570582.db2.gz PVGKELFEIGTALO-HIFRSBDPSA-N 0 0 303.383 3.104 20 10 DGCDRN Cc1cccc(NC(=O)[C@@H](C)OC(=O)C2=CC(=O)CS2)c1C ZINC000732353996 574572211 /nfs/dbraw/zinc/57/22/11/574572211.db2.gz MSQQTUDUNHOCDV-LLVKDONJSA-N 0 0 319.382 3.255 20 10 DGCDRN CC(C)n1cc([C@H](C)NC(=O)N(C)Cc2ccccc2O)cn1 ZINC000732892299 574586727 /nfs/dbraw/zinc/58/67/27/574586727.db2.gz AKPXLVIZBLHYJS-ZDUSSCGKSA-N 0 0 316.405 3.072 20 10 DGCDRN O=C(NCCc1ccc(F)cc1Cl)NCc1ccccc1O ZINC000733646205 574633061 /nfs/dbraw/zinc/63/30/61/574633061.db2.gz PKOIBLVOBOPFIX-UHFFFAOYSA-N 0 0 322.767 3.227 20 10 DGCDRN CC(C)C[C@@H]1COCC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000733789600 574637573 /nfs/dbraw/zinc/63/75/73/574637573.db2.gz XTJHUAXRHIJGIU-OAHLLOKOSA-N 0 0 300.402 3.187 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cn(C)c2ccccc12 ZINC000734468071 574663417 /nfs/dbraw/zinc/66/34/17/574663417.db2.gz ISQOBKAIXHYEIP-UHFFFAOYSA-N 0 0 321.424 3.483 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cc(F)c(F)c(F)c1 ZINC000734405242 574659627 /nfs/dbraw/zinc/65/96/27/574659627.db2.gz AHGGVGBDTMNTMH-UHFFFAOYSA-N 0 0 322.330 3.408 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Cc1ccc2c(c1)CCC2 ZINC000734402963 574659646 /nfs/dbraw/zinc/65/96/46/574659646.db2.gz UJBWUSXMQNVCCV-UHFFFAOYSA-N 0 0 322.452 3.409 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(Cl)cc1O ZINC000734406100 574659744 /nfs/dbraw/zinc/65/97/44/574659744.db2.gz OKOZUNSOHIRNAH-UHFFFAOYSA-N 0 0 318.804 3.350 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CSCCC(C)C ZINC000734404078 574659790 /nfs/dbraw/zinc/65/97/90/574659790.db2.gz FRCUKHGTEUDTJS-UHFFFAOYSA-N 0 0 308.491 3.457 20 10 DGCDRN C[C@@H](C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(C)(C)C ZINC000734390266 574660435 /nfs/dbraw/zinc/66/04/35/574660435.db2.gz QEOXETLSZYURBQ-GJZGRUSLSA-N 0 0 318.461 3.383 20 10 DGCDRN C[C@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)C(C)(C)C ZINC000734532394 574666833 /nfs/dbraw/zinc/66/68/33/574666833.db2.gz LQFWEFGUXCGWTF-GFCCVEGCSA-N 0 0 309.429 3.373 20 10 DGCDRN Cc1cccc(NNC(=S)Nc2ccc3c(c2)OCO3)c1 ZINC000735233909 574693177 /nfs/dbraw/zinc/69/31/77/574693177.db2.gz WKGBSYPVBZMGKT-UHFFFAOYSA-N 0 0 301.371 3.037 20 10 DGCDRN O=C(CC1CCOCC1)NCc1ccc(N2CCCCC2)cc1 ZINC000735271724 574695311 /nfs/dbraw/zinc/69/53/11/574695311.db2.gz WFOHTRKOKDAUHN-UHFFFAOYSA-N 0 0 316.445 3.110 20 10 DGCDRN CC[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000735322828 574698120 /nfs/dbraw/zinc/69/81/20/574698120.db2.gz FYZNGGYYSHSIAL-HNNXBMFYSA-N 0 0 303.450 3.474 20 10 DGCDRN Cn1cc(/C=C\C(=O)N(CC(F)(F)F)c2ccccc2)cn1 ZINC000735439414 574702204 /nfs/dbraw/zinc/70/22/04/574702204.db2.gz VAVBSASLCHDVLK-FPLPWBNLSA-N 0 0 309.291 3.029 20 10 DGCDRN O=[N+]([O-])c1ccc(NC(=S)NNc2c(F)cccc2F)cc1 ZINC000735625085 574710086 /nfs/dbraw/zinc/71/00/86/574710086.db2.gz FFDWNLBIAJZAEU-UHFFFAOYSA-N 0 0 324.312 3.187 20 10 DGCDRN CCCC(=O)COC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000738604381 574874606 /nfs/dbraw/zinc/87/46/06/574874606.db2.gz AMWPETBDCHMGJK-UHFFFAOYSA-N 0 0 300.358 3.015 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)NCC2CCCCC2)cc1 ZINC000739924719 574916009 /nfs/dbraw/zinc/91/60/09/574916009.db2.gz VLVWRUHOONOWNH-UHFFFAOYSA-N 0 0 304.434 3.218 20 10 DGCDRN CCN1C(=O)/C(=C/c2nccc3ccccc23)SC1=S ZINC000740763524 574941704 /nfs/dbraw/zinc/94/17/04/574941704.db2.gz DHZVPXIMSRIUKI-LCYFTJDESA-N 0 0 300.408 3.456 20 10 DGCDRN C[C@H]1C[C@H](C)N(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000740906138 574945698 /nfs/dbraw/zinc/94/56/98/574945698.db2.gz AMGQYMLMQSEYIH-GJZGRUSLSA-N 0 0 301.434 3.227 20 10 DGCDRN CN(C)S(=O)(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000742025960 574979622 /nfs/dbraw/zinc/97/96/22/574979622.db2.gz UBYODAPYNGZBJQ-UHFFFAOYSA-N 0 0 304.375 3.320 20 10 DGCDRN O=C(CC(F)(F)F)NCc1ccc(N2CCCCC2)cc1 ZINC000742468911 575001739 /nfs/dbraw/zinc/00/17/39/575001739.db2.gz SPAAZJAHKGLFBQ-UHFFFAOYSA-N 0 0 300.324 3.246 20 10 DGCDRN Cc1cncc(C(=O)NCc2ccc(N3CCCCC3)cc2)c1 ZINC000742589663 575008109 /nfs/dbraw/zinc/00/81/09/575008109.db2.gz SCJFLFPHWHCRQT-UHFFFAOYSA-N 0 0 309.413 3.310 20 10 DGCDRN Cc1cc(F)cc(C(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000742596829 575008470 /nfs/dbraw/zinc/00/84/70/575008470.db2.gz CZPYAODQANUANS-UHFFFAOYSA-N 0 0 312.388 3.447 20 10 DGCDRN Cc1cc(C(=O)NCCC(F)(F)F)c(C)n1-c1ccccn1 ZINC000742925599 575025127 /nfs/dbraw/zinc/02/51/27/575025127.db2.gz ZUAVCNUOZOJQLZ-UHFFFAOYSA-N 0 0 311.307 3.171 20 10 DGCDRN CCc1csc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)n1 ZINC000743224291 575039394 /nfs/dbraw/zinc/03/93/94/575039394.db2.gz FYHYJAYHTHBQEH-SECBINFHSA-N 0 0 321.402 3.302 20 10 DGCDRN CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NCc1ccccc1O ZINC000743328382 575043275 /nfs/dbraw/zinc/04/32/75/575043275.db2.gz SRIFVBUWUBWWOZ-QRTARXTBSA-N 0 0 305.418 3.382 20 10 DGCDRN O=C(NCc1ccccc1O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000743326724 575043320 /nfs/dbraw/zinc/04/33/20/575043320.db2.gz HTGUCGRJFKRRHG-OCCSQVGLSA-N 0 0 303.308 3.090 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)NCC1CCCC1 ZINC000743553873 575056663 /nfs/dbraw/zinc/05/66/63/575056663.db2.gz SJTAPNXBQLYSTL-UHFFFAOYSA-N 0 0 302.418 3.260 20 10 DGCDRN C[C@H]1CN(C(=O)C2=CC(=O)CS2)C[C@@H](c2ccc(F)cc2)O1 ZINC000743637681 575059662 /nfs/dbraw/zinc/05/96/62/575059662.db2.gz LYELGQOZFWEHFK-HZMBPMFUSA-N 0 0 321.373 3.195 20 10 DGCDRN Cc1ccc(C(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000743719493 575062103 /nfs/dbraw/zinc/06/21/03/575062103.db2.gz CLRKJIJPQQLARD-UHFFFAOYSA-N 0 0 323.392 3.079 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@](C)(O)C(C)C)cc1 ZINC000743713090 575062264 /nfs/dbraw/zinc/06/22/64/575062264.db2.gz RBMPGKADBZOIED-LJQANCHMSA-N 0 0 314.429 3.231 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Cc2cc(C)ccc2C)c1 ZINC000728978207 575199109 /nfs/dbraw/zinc/19/91/09/575199109.db2.gz BTHUMKKUVMVYTF-CQSZACIVSA-N 0 0 313.397 3.438 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2c(O)cccc2Cl)c1 ZINC000729535541 575254765 /nfs/dbraw/zinc/25/47/65/575254765.db2.gz SXQMQYIWXTZAEK-VIFPVBQESA-N 0 0 321.760 3.251 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2c(C)oc(C)c2C)c1 ZINC000729536495 575254888 /nfs/dbraw/zinc/25/48/88/575254888.db2.gz GCJGILUDFLRFGP-SNVBAGLBSA-N 0 0 303.358 3.410 20 10 DGCDRN O=C(Cc1ccccc1C(F)(F)F)NCc1ccccc1O ZINC000729530068 575255328 /nfs/dbraw/zinc/25/53/28/575255328.db2.gz VMOAYKFISNMAMS-UHFFFAOYSA-N 0 0 309.287 3.270 20 10 DGCDRN Cc1nc(C(C)(C)NCc2cc(C(C)(C)C)cc(O)c2O)no1 ZINC000729849764 575264541 /nfs/dbraw/zinc/26/45/41/575264541.db2.gz AIJZMIIRLFINKT-UHFFFAOYSA-N 0 0 319.405 3.112 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@@H]1CCc2ccc(F)cc21 ZINC000730124509 575275373 /nfs/dbraw/zinc/27/53/73/575275373.db2.gz AEXBGGBMMRLPBJ-OAHLLOKOSA-N 0 0 300.333 3.018 20 10 DGCDRN CCOCCCOC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000744576110 575349091 /nfs/dbraw/zinc/34/90/91/575349091.db2.gz LYFSACCOXMSJAF-UHFFFAOYSA-N 0 0 308.403 3.079 20 10 DGCDRN Cc1cc(C)c2c(N)c(C(=O)OCCOCC3CC3)sc2n1 ZINC000744576476 575349255 /nfs/dbraw/zinc/34/92/55/575349255.db2.gz SAGPLTPKTPLMAF-UHFFFAOYSA-N 0 0 320.414 3.079 20 10 DGCDRN C[C@H](OC(=O)C1=CC(=O)CS1)c1nc(-c2ccccc2)no1 ZINC000745001878 575368646 /nfs/dbraw/zinc/36/86/46/575368646.db2.gz DJXMZLINFACRNL-VIFPVBQESA-N 0 0 316.338 3.422 20 10 DGCDRN COc1cccc(CNC(=O)NCC[C@@H]2CCCC[C@H]2C)c1O ZINC000745821056 575418715 /nfs/dbraw/zinc/41/87/15/575418715.db2.gz VBEWIUBIAHVKEV-KGLIPLIRSA-N 0 0 320.433 3.416 20 10 DGCDRN COc1cccc(CNC(=O)NCC[C@@H]2CCCC[C@@H]2C)c1O ZINC000745821055 575418853 /nfs/dbraw/zinc/41/88/53/575418853.db2.gz VBEWIUBIAHVKEV-KBPBESRZSA-N 0 0 320.433 3.416 20 10 DGCDRN CCN(C[C@@H](O)COc1ccccc1C)c1ccc(OC)cc1 ZINC000746107829 575432814 /nfs/dbraw/zinc/43/28/14/575432814.db2.gz RSUGHGMYPJYIMD-QGZVFWFLSA-N 0 0 315.413 3.270 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)COC1(C)CCC1 ZINC000746146787 575436175 /nfs/dbraw/zinc/43/61/75/575436175.db2.gz AFBZXCMZZNQDTB-UHFFFAOYSA-N 0 0 304.434 3.060 20 10 DGCDRN CC1(OCC(=O)NCc2ccc(N3CCCCC3)cc2)CCC1 ZINC000746148273 575436240 /nfs/dbraw/zinc/43/62/40/575436240.db2.gz NNMRYUBVFFSTGC-UHFFFAOYSA-N 0 0 316.445 3.252 20 10 DGCDRN COc1ccc(N(CC(=O)NC2CCCC2)CC(C)C)cc1 ZINC000746170821 575437330 /nfs/dbraw/zinc/43/73/30/575437330.db2.gz IIIFADHOXLXIGD-UHFFFAOYSA-N 0 0 304.434 3.216 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)C(C)(C)O)c(C)n1-c1cccc(C)c1 ZINC000746334606 575447272 /nfs/dbraw/zinc/44/72/72/575447272.db2.gz SQFFRIALJSHBDX-OAHLLOKOSA-N 0 0 314.429 3.292 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc2n[nH]cc2c1 ZINC000746691448 575470443 /nfs/dbraw/zinc/47/04/43/575470443.db2.gz ITCVTMSHHOHXHQ-UHFFFAOYSA-N 0 0 321.380 3.077 20 10 DGCDRN CCc1ncc(C(=O)NCc2ccc3c(c2)CCCN3C)s1 ZINC000746814779 575476590 /nfs/dbraw/zinc/47/65/90/575476590.db2.gz WDULOOIHGQRBQW-UHFFFAOYSA-N 0 0 315.442 3.018 20 10 DGCDRN COCCCCC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000746842089 575478097 /nfs/dbraw/zinc/47/80/97/575478097.db2.gz NJJQQJSQVIPIEB-UHFFFAOYSA-N 0 0 304.434 3.110 20 10 DGCDRN Cc1cc(C(=O)N(C)Cc2ccc[nH]2)c(C)n1-c1ccccn1 ZINC000747421596 575516658 /nfs/dbraw/zinc/51/66/58/575516658.db2.gz SPWHJHPBPSNMIC-UHFFFAOYSA-N 0 0 308.385 3.089 20 10 DGCDRN CCOc1ccc(N(CC)CC(=O)N2CCC[C@@H](C)C2)cc1 ZINC000747682434 575532575 /nfs/dbraw/zinc/53/25/75/575532575.db2.gz KPTYSXQABRRCDA-OAHLLOKOSA-N 0 0 304.434 3.170 20 10 DGCDRN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000747864257 575546707 /nfs/dbraw/zinc/54/67/07/575546707.db2.gz MIIIUCXFRZRWLJ-HALDLXJZSA-N 0 0 303.450 3.377 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccn(C)c2)cc1 ZINC000747891594 575549256 /nfs/dbraw/zinc/54/92/56/575549256.db2.gz PHIVFQYCGWQFGL-UHFFFAOYSA-N 0 0 307.397 3.363 20 10 DGCDRN CN1CCCc2cc(/C=C3/N=C(c4cccs4)OC3=O)ccc21 ZINC000748044552 575558311 /nfs/dbraw/zinc/55/83/11/575558311.db2.gz GEUTWRARSWRLRT-SDNWHVSQSA-N 0 0 324.405 3.475 20 10 DGCDRN CC(C)c1cc(C(=O)NCc2ccccc2O)nn1C(C)(C)C ZINC000748346386 575581165 /nfs/dbraw/zinc/58/11/65/575581165.db2.gz WBYPJAAOVMXGES-UHFFFAOYSA-N 0 0 315.417 3.397 20 10 DGCDRN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCc1ccccc1O ZINC000748355198 575583168 /nfs/dbraw/zinc/58/31/68/575583168.db2.gz VKDKZWFXMFFWDE-LBPRGKRZSA-N 0 0 319.788 3.438 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1[nH]cnc1C ZINC000748406366 575584656 /nfs/dbraw/zinc/58/46/56/575584656.db2.gz OJNCNKQOLOOVPC-UHFFFAOYSA-N 0 0 314.414 3.117 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1cccc(OC(F)F)c1 ZINC000748444881 575586880 /nfs/dbraw/zinc/58/68/80/575586880.db2.gz WTEBIOLBKJLSCZ-UHFFFAOYSA-N 0 0 308.284 3.315 20 10 DGCDRN CCOc1ccc(NC(=O)NCc2ccccc2O)c(C)c1 ZINC000748447577 575587383 /nfs/dbraw/zinc/58/73/83/575587383.db2.gz MLBJWXSWRWSVGX-UHFFFAOYSA-N 0 0 300.358 3.421 20 10 DGCDRN C[C@@H]1C[C@@H]1c1ccc(CNC(=O)NCc2ccccc2O)o1 ZINC000748458801 575587962 /nfs/dbraw/zinc/58/79/62/575587962.db2.gz CLBLTRFJORUFKX-RISCZKNCSA-N 0 0 300.358 3.108 20 10 DGCDRN CC[C@@H](O)CCCNC(=O)c1sccc1-n1c(C)ccc1C ZINC000748550381 575592649 /nfs/dbraw/zinc/59/26/49/575592649.db2.gz KWOAQCLACXCMGI-CQSZACIVSA-N 0 0 320.458 3.437 20 10 DGCDRN O=C(/C=C/c1cncc(F)c1)N1CCCc2c(F)cccc21 ZINC000748564462 575593808 /nfs/dbraw/zinc/59/38/08/575593808.db2.gz IQAWKYZKKIVLLC-VOTSOKGWSA-N 0 0 300.308 3.352 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)C(F)(F)C(F)F)cc1 ZINC000749340364 575645836 /nfs/dbraw/zinc/64/58/36/575645836.db2.gz LRFPKAIQZXLFNP-UHFFFAOYSA-N 0 0 320.330 3.392 20 10 DGCDRN CSCCNC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC000749563953 575665106 /nfs/dbraw/zinc/66/51/06/575665106.db2.gz OJJVCRPDGXRJPR-UHFFFAOYSA-N 0 0 302.443 3.495 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCc3c[nH]nc3C2)cc1 ZINC000750794473 575752577 /nfs/dbraw/zinc/75/25/77/575752577.db2.gz OREPDFBAFOQNLE-UHFFFAOYSA-N 0 0 320.396 3.016 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)CCOCC2CC2)cc1 ZINC000751223587 575776133 /nfs/dbraw/zinc/77/61/33/575776133.db2.gz AFZTVCDRJFMTGH-UHFFFAOYSA-N 0 0 318.461 3.308 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CCOCC2CC2)cc1F ZINC000751377879 575782463 /nfs/dbraw/zinc/78/24/63/575782463.db2.gz MMUYOLCFYIGBJF-UHFFFAOYSA-N 0 0 322.424 3.105 20 10 DGCDRN Cc1ccc(N2C(=O)/C(=C\c3cn[nH]c3)SC2=S)cc1 ZINC000751527002 575788837 /nfs/dbraw/zinc/78/88/37/575788837.db2.gz QLXHWSPQVMHDRE-WUXMJOGZSA-N 0 0 301.396 3.124 20 10 DGCDRN CCOc1cccc([C@H](C)NC(=O)c2ccc(C)c(O)c2O)c1 ZINC000751536561 575789778 /nfs/dbraw/zinc/78/97/78/575789778.db2.gz ZEOIQFCYOVGKIA-LBPRGKRZSA-N 0 0 315.369 3.296 20 10 DGCDRN COc1ccc(OCCN(C)c2ccc(OC)cc2OC)cc1 ZINC000752127084 575824406 /nfs/dbraw/zinc/82/44/06/575824406.db2.gz YBZUMCNPARLQOA-UHFFFAOYSA-N 0 0 317.385 3.228 20 10 DGCDRN CCC1(CNC(=O)NCc2ccc(N(C)C)cc2C)CCC1 ZINC000752395394 575835295 /nfs/dbraw/zinc/83/52/95/575835295.db2.gz AQXJDDRJELEEOI-UHFFFAOYSA-N 0 0 303.450 3.441 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCS2)cc1F ZINC000743345952 575908916 /nfs/dbraw/zinc/90/89/16/575908916.db2.gz XUIDVNYZEYQLPN-HNNXBMFYSA-N 0 0 310.438 3.184 20 10 DGCDRN O=C(OCc1ccn(-c2ccc(F)cc2)n1)C1=CC(=O)CS1 ZINC000745002788 575944509 /nfs/dbraw/zinc/94/45/09/575944509.db2.gz QWMAFOQYQMPWNU-UHFFFAOYSA-N 0 0 318.329 3.136 20 10 DGCDRN O=C(NCc1ccccc1O)NCc1ccccc1C(F)(F)F ZINC000726249148 576014632 /nfs/dbraw/zinc/01/46/32/576014632.db2.gz XKUMEWBHNQEUCN-UHFFFAOYSA-N 0 0 324.302 3.410 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@@H]1CCc2cc(F)ccc21 ZINC000726240177 576014668 /nfs/dbraw/zinc/01/46/68/576014668.db2.gz UEMNTAYTRZBYMT-OAHLLOKOSA-N 0 0 300.333 3.018 20 10 DGCDRN COc1ccc(OC)c(NC(=S)NNc2ccc(F)cc2)c1 ZINC000726433976 576022033 /nfs/dbraw/zinc/02/20/33/576022033.db2.gz CQEVXVOJQWWUPW-UHFFFAOYSA-N 0 0 321.377 3.156 20 10 DGCDRN CCCN(CC)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000726712979 576037233 /nfs/dbraw/zinc/03/72/33/576037233.db2.gz IHAPCGGVWOHRKQ-UHFFFAOYSA-N 0 0 319.449 3.106 20 10 DGCDRN CCN(Cc1ccoc1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000726709390 576037354 /nfs/dbraw/zinc/03/73/54/576037354.db2.gz NUDLAWNCVFETOP-UHFFFAOYSA-N 0 0 319.380 3.216 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)N(C)[C@@H](C)CC(C)C)cc1 ZINC000739922948 576052017 /nfs/dbraw/zinc/05/20/17/576052017.db2.gz ABQRHOHJLBZBGO-HNNXBMFYSA-N 0 0 306.450 3.415 20 10 DGCDRN CN(C)c1ccc(CNC(=S)Nc2ccc(Cl)nc2)cc1 ZINC000727072840 576102075 /nfs/dbraw/zinc/10/20/75/576102075.db2.gz QFJCILYTJNIKNJ-UHFFFAOYSA-N 0 0 320.849 3.288 20 10 DGCDRN COc1ccc(N2CCN(C(=O)C[C@H](C)CC(C)C)CC2)cc1 ZINC000727661856 576138129 /nfs/dbraw/zinc/13/81/29/576138129.db2.gz HKDWUBCMXDRSIX-MRXNPFEDSA-N 0 0 318.461 3.416 20 10 DGCDRN CN(C)c1ccc(CNC(=S)NCCc2cccs2)cc1 ZINC000727693407 576139672 /nfs/dbraw/zinc/13/96/72/576139672.db2.gz UVZWPRNLSMWZOL-UHFFFAOYSA-N 0 0 319.499 3.021 20 10 DGCDRN CCN1C(=O)/C(=C/c2cc(F)c(F)c(F)c2)SC1=S ZINC000727972914 576156837 /nfs/dbraw/zinc/15/68/37/576156837.db2.gz LFMPNVFYVITLGB-UITAMQMPSA-N 0 0 303.330 3.325 20 10 DGCDRN Cc1ccc(C)c(CC(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000727993121 576158372 /nfs/dbraw/zinc/15/83/72/576158372.db2.gz IJVOCSOWDZYOEG-UHFFFAOYSA-N 0 0 314.404 3.367 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000740423840 576166918 /nfs/dbraw/zinc/16/69/18/576166918.db2.gz UETVIPFQBJDFLA-GJZGRUSLSA-N 0 0 304.434 3.311 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=S)Nc2ccccc2)c1 ZINC000728793351 576204424 /nfs/dbraw/zinc/20/44/24/576204424.db2.gz QXAMDJZEUHPTLE-LLVKDONJSA-N 0 0 302.399 3.448 20 10 DGCDRN CN1CCc2cc(/C=C3\SC(=S)N(C4CC4)C3=O)ccc21 ZINC000751527507 576205847 /nfs/dbraw/zinc/20/58/47/576205847.db2.gz WNIUZXOFTDYLHB-ZROIWOOFSA-N 0 0 316.451 3.043 20 10 DGCDRN COc1ccc(-n2c(C)cc(C(=O)N(C)CC(F)F)c2C)cc1 ZINC000728871219 576229194 /nfs/dbraw/zinc/22/91/94/576229194.db2.gz RLNIKQLHRDBBNF-UHFFFAOYSA-N 0 0 322.355 3.440 20 10 DGCDRN O=C(COC(=O)c1ccc2ccccc2c1)c1ccc(O)c(O)c1 ZINC000916590006 620637373 /nfs/dbraw/zinc/63/73/73/620637373.db2.gz WJXFVAUECUFAKQ-UHFFFAOYSA-N 0 0 322.316 3.291 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C(C)C)C2CC2)c1 ZINC000852649642 620637817 /nfs/dbraw/zinc/63/78/17/620637817.db2.gz RDCLKFLHFFQNHR-BZNIZROVSA-N 0 0 306.406 3.196 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)NC[C@H]2C[C@H]2C)cc1 ZINC000916639642 620640505 /nfs/dbraw/zinc/64/05/05/620640505.db2.gz OFANGZWBEQCSRR-GDBMZVCRSA-N 0 0 303.450 3.330 20 10 DGCDRN COCCCCC[NH2+]Cc1cccc(Br)c1[O-] ZINC000101596283 629744024 /nfs/dbraw/zinc/74/40/24/629744024.db2.gz WMDMFKJTYMEHAC-UHFFFAOYSA-N 0 0 302.212 3.061 20 10 DGCDRN CCOc1cccc(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1O ZINC000390164247 604682080 /nfs/dbraw/zinc/68/20/80/604682080.db2.gz MRBZBIBDCOYGPO-YUELXQCFSA-N 0 0 319.401 3.009 20 10 DGCDRN Oc1ccccc1CNc1nc(C2CC2)ncc1Br ZINC000853244211 620681837 /nfs/dbraw/zinc/68/18/37/620681837.db2.gz HJOGICCWPQHGNZ-UHFFFAOYSA-N 0 0 320.190 3.434 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@H](CCF)C2)cc1 ZINC000853244417 620681857 /nfs/dbraw/zinc/68/18/57/620681857.db2.gz LVNMZVFVQLSVKR-HNNXBMFYSA-N 0 0 307.413 3.034 20 10 DGCDRN COC(=O)c1cnc(SC[C@H]2CCC3(CCC3)CO2)s1 ZINC000917778387 620683850 /nfs/dbraw/zinc/68/38/50/620683850.db2.gz RFSTUSBJIFLOSV-SNVBAGLBSA-N 0 0 313.444 3.371 20 10 DGCDRN COc1ccc(N(CC(C)C)C(=O)/C=C/c2cnccn2)cc1 ZINC000918156246 620699516 /nfs/dbraw/zinc/69/95/16/620699516.db2.gz OQIHRUAOFZNBQH-RUDMXATFSA-N 0 0 311.385 3.188 20 10 DGCDRN Cc1nn(C)cc1CN1CCCc2cc(OC(F)F)ccc21 ZINC000184748443 660184372 /nfs/dbraw/zinc/18/43/72/660184372.db2.gz NSSFJQLWGUPDER-UHFFFAOYSA-N 0 0 307.344 3.283 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cccc3n[nH]cc32)cc1 ZINC000918624754 620716771 /nfs/dbraw/zinc/71/67/71/620716771.db2.gz GOTKSRLYUXQLIM-UHFFFAOYSA-N 0 0 322.412 3.339 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C)C[C@H]1CC1(C)C ZINC000853748358 620732558 /nfs/dbraw/zinc/73/25/58/620732558.db2.gz CIAOPGHUBFPYLB-OAHLLOKOSA-N 0 0 303.450 3.249 20 10 DGCDRN COc1ccc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])s3)C2)cc1 ZINC000853758167 620734364 /nfs/dbraw/zinc/73/43/64/620734364.db2.gz AVOATTSSUWMFLG-LLVKDONJSA-N 0 0 319.386 3.356 20 10 DGCDRN CO[C@@](C)([C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000840859949 618027505 /nfs/dbraw/zinc/02/75/05/618027505.db2.gz QKKRFYJZESWWOB-UVWXRNBGSA-N 0 0 308.378 3.155 20 10 DGCDRN COc1cccc(CNC(=O)NC2CCC(C(C)C)CC2)c1O ZINC000121260252 617622084 /nfs/dbraw/zinc/62/20/84/617622084.db2.gz LOHUIQDDPFTTJD-UHFFFAOYSA-N 0 0 320.433 3.415 20 10 DGCDRN CC[C@H]([NH2+]Cc1cnn(C)n1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806167114 617646320 /nfs/dbraw/zinc/64/63/20/617646320.db2.gz KXTVNXIOVOHCAW-LBPRGKRZSA-N 0 0 315.204 3.068 20 10 DGCDRN CCCC(O)(CCC)CC(=O)NCc1cccc(Cl)c1O ZINC000890760157 617656369 /nfs/dbraw/zinc/65/63/69/617656369.db2.gz KAXZTEZUCFUVSG-UHFFFAOYSA-N 0 0 313.825 3.383 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@H]1CCCCC1(F)F ZINC000890761362 617657024 /nfs/dbraw/zinc/65/70/24/617657024.db2.gz PNUNBNHDEONYBO-SNVBAGLBSA-N 0 0 303.736 3.487 20 10 DGCDRN C[C@@H]1CCCc2ncc(C(=O)NCc3cccc(Cl)c3O)n21 ZINC000890761252 617657044 /nfs/dbraw/zinc/65/70/44/617657044.db2.gz NVVTVFVFLWYRTB-SNVBAGLBSA-N 0 0 319.792 3.069 20 10 DGCDRN O=C(Cc1csc(C2CC2)n1)NCc1cccc(Cl)c1O ZINC000890762415 617657990 /nfs/dbraw/zinc/65/79/90/617657990.db2.gz BVAZRTJIRMFJHL-UHFFFAOYSA-N 0 0 322.817 3.238 20 10 DGCDRN O=C(C[C@@H]1CCCC1(F)F)NCc1cccc(Cl)c1O ZINC000890762579 617658004 /nfs/dbraw/zinc/65/80/04/617658004.db2.gz GMKGGIBAIVTFRZ-JTQLQIEISA-N 0 0 303.736 3.487 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1CCOC2(CCCC2)C1 ZINC000890762781 617658515 /nfs/dbraw/zinc/65/85/15/617658515.db2.gz INDHVBIZMYQLEI-GFCCVEGCSA-N 0 0 323.820 3.401 20 10 DGCDRN CC(C)c1ccc(C(=O)NCc2cccc(Cl)c2O)c(=O)[nH]1 ZINC000890763575 617659074 /nfs/dbraw/zinc/65/90/74/617659074.db2.gz YLDJFAIDVAOPEN-UHFFFAOYSA-N 0 0 320.776 3.200 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@@]12CCO[C@@H]1CCCC2 ZINC000890763494 617659195 /nfs/dbraw/zinc/65/91/95/617659195.db2.gz XABPBDKSVXTGGK-CJNGLKHVSA-N 0 0 309.793 3.011 20 10 DGCDRN C[C@@H](CC(=O)NCc1cc(Br)ccc1O)C1CC1 ZINC000804735209 617661590 /nfs/dbraw/zinc/66/15/90/617661590.db2.gz PKKPKJLDDFVJTG-VIFPVBQESA-N 0 0 312.207 3.207 20 10 DGCDRN CCCCCC(=O)NCc1cc(Br)ccc1O ZINC000804733484 617661605 /nfs/dbraw/zinc/66/16/05/617661605.db2.gz QRAZVOQASYLNHM-UHFFFAOYSA-N 0 0 300.196 3.351 20 10 DGCDRN CC(C)[C@H](C)C(=O)NCc1cc(Br)ccc1O ZINC000804735827 617661984 /nfs/dbraw/zinc/66/19/84/617661984.db2.gz GHEGYCMJBHEMAX-VIFPVBQESA-N 0 0 300.196 3.063 20 10 DGCDRN CC(C)[C@@H]1C[C@@H]1C(=O)NCc1cc(Br)ccc1O ZINC000804738641 617662038 /nfs/dbraw/zinc/66/20/38/617662038.db2.gz YFDKQPUXFYTRNL-RYUDHWBXSA-N 0 0 312.207 3.063 20 10 DGCDRN C/C(=C\C(=O)NCc1cc(Br)ccc1O)C1CC1 ZINC000804735695 617662098 /nfs/dbraw/zinc/66/20/98/617662098.db2.gz DHVPLQVIZUTZMK-RMKNXTFCSA-N 0 0 310.191 3.127 20 10 DGCDRN O=C(NCc1cc(Br)ccc1O)c1cccs1 ZINC000804738711 617662562 /nfs/dbraw/zinc/66/25/62/617662562.db2.gz ASKORBBJIDQMLX-UHFFFAOYSA-N 0 0 312.188 3.146 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)c1cccc(Cl)c1[O-] ZINC000806129442 617663105 /nfs/dbraw/zinc/66/31/05/617663105.db2.gz FZNYSJYDHSJNSS-OAHLLOKOSA-N 0 0 318.804 3.385 20 10 DGCDRN O=[N+]([O-])c1ccc(NCc2cc(Br)ccc2O)nc1 ZINC000804828563 617680051 /nfs/dbraw/zinc/68/00/51/617680051.db2.gz ROLWYOIZEKAIBL-UHFFFAOYSA-N 0 0 324.134 3.070 20 10 DGCDRN CC(C)c1noc(NCc2cc(Br)ccc2O)n1 ZINC000804828634 617680278 /nfs/dbraw/zinc/68/02/78/617680278.db2.gz UNEQNDZBFZJQLC-UHFFFAOYSA-N 0 0 312.167 3.273 20 10 DGCDRN Cc1cc(C(=O)OCCCO)c(C)n1-c1ccc(Cl)cc1 ZINC000919520639 620754838 /nfs/dbraw/zinc/75/48/38/620754838.db2.gz ATBHZONAUJHXCI-UHFFFAOYSA-N 0 0 307.777 3.287 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OC[C@H]1CCCO1 ZINC000919566154 620756283 /nfs/dbraw/zinc/75/62/83/620756283.db2.gz LIFMPDIOTWHUGE-CYBMUJFWSA-N 0 0 305.399 3.491 20 10 DGCDRN CN(C)c1ccc(CNc2cc(Cl)c3cnn(C)c3n2)cc1 ZINC000891578717 617842937 /nfs/dbraw/zinc/84/29/37/617842937.db2.gz NZHWITRYRWGLTJ-UHFFFAOYSA-N 0 0 315.808 3.300 20 10 DGCDRN OC1CCN(c2ccc(CNc3cccc(Cl)n3)cc2)CC1 ZINC000853955042 620756807 /nfs/dbraw/zinc/75/68/07/620756807.db2.gz BTKVCANWOMLQKN-UHFFFAOYSA-N 0 0 317.820 3.308 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=S)NC1(C)CC1 ZINC000840868036 618037293 /nfs/dbraw/zinc/03/72/93/618037293.db2.gz AZUBPNVPCPPVIT-CYBMUJFWSA-N 0 0 305.491 3.009 20 10 DGCDRN COC(=O)C1=C(C)O[C@H](CSc2ncc(Cl)s2)C1 ZINC000850000120 618053788 /nfs/dbraw/zinc/05/37/88/618053788.db2.gz JUEZLYPCBFBEJX-ZETCQYMHSA-N 0 0 305.808 3.125 20 10 DGCDRN O=[N+]([O-])c1ccc2c(c1)N(Cc1cc3c(cc1O)CCC3)CC2 ZINC000919948177 620773682 /nfs/dbraw/zinc/77/36/82/620773682.db2.gz WZNCOQVYYJEDIG-UHFFFAOYSA-N 0 0 310.353 3.352 20 10 DGCDRN CCCN(CC(F)F)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000155140509 620774294 /nfs/dbraw/zinc/77/42/94/620774294.db2.gz GBAJCJPDYWXLGH-UHFFFAOYSA-N 0 0 317.355 3.078 20 10 DGCDRN CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000840889247 618141073 /nfs/dbraw/zinc/14/10/73/618141073.db2.gz FRMJOAALPSYFBA-RKDXNWHRSA-N 0 0 319.232 3.263 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](C)C1CC1 ZINC000920054700 620780662 /nfs/dbraw/zinc/78/06/62/620780662.db2.gz UHJCUKYBBXWBAE-AWEZNQCLSA-N 0 0 303.450 3.330 20 10 DGCDRN CCC/C(C)=C/C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000920223024 620791661 /nfs/dbraw/zinc/79/16/61/620791661.db2.gz YMIVYAKBMZZPDJ-SDNWHVSQSA-N 0 0 320.408 3.025 20 10 DGCDRN CC(C)C[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)CC(=O)[O-] ZINC000854244067 620787731 /nfs/dbraw/zinc/78/77/31/620787731.db2.gz OCIWEOOWLXWPEE-AWEZNQCLSA-N 0 0 310.413 3.118 20 10 DGCDRN COc1cc(C)cc(CNc2ccccc2C[S@@](C)=O)c1O ZINC000894469805 618345314 /nfs/dbraw/zinc/34/53/14/618345314.db2.gz QGTQEUNVCGXGKZ-JOCHJYFZSA-N 0 0 319.426 3.200 20 10 DGCDRN Cc1cc(Br)c(O)c(CN2CC(C(F)(F)F)C2)c1 ZINC000894892199 618489565 /nfs/dbraw/zinc/48/95/65/618489565.db2.gz ZHFDVQGUNKMOIY-UHFFFAOYSA-N 0 0 324.140 3.457 20 10 DGCDRN CCSCC[C@@H](C)NC(=O)NCc1cccc(Cl)c1O ZINC000893345244 618523718 /nfs/dbraw/zinc/52/37/18/618523718.db2.gz YSYDNOYRUHYMLG-SNVBAGLBSA-N 0 0 316.854 3.377 20 10 DGCDRN COc1ccc(CN2Cc3cc(F)c(F)cc3C2)c(O)c1OC ZINC000895218019 618576571 /nfs/dbraw/zinc/57/65/71/618576571.db2.gz OAVCHIBUMCNFSU-UHFFFAOYSA-N 0 0 321.323 3.203 20 10 DGCDRN COC(=O)[C@H](NCc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000893602858 618614262 /nfs/dbraw/zinc/61/42/62/618614262.db2.gz LMYDYIWTELXMQN-GOSISDBHSA-N 0 0 311.381 3.016 20 10 DGCDRN [O-]c1c(F)cc(F)cc1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000893986240 618690108 /nfs/dbraw/zinc/69/01/08/618690108.db2.gz ITYNAGWAZWKROO-UHFFFAOYSA-N 0 0 310.388 3.121 20 10 DGCDRN CCN(CC)c1ccc(CN[C@H](C)c2cc(CO)on2)cc1F ZINC000925014394 618764414 /nfs/dbraw/zinc/76/44/14/618764414.db2.gz QEMHKOVCKUUXLC-GFCCVEGCSA-N 0 0 321.396 3.003 20 10 DGCDRN CC(C)CC1(CNC(=O)NCCc2ccc(N)cc2)CCC1 ZINC000841857385 618773132 /nfs/dbraw/zinc/77/31/32/618773132.db2.gz XILCGGJCIOVXRL-UHFFFAOYSA-N 0 0 303.450 3.327 20 10 DGCDRN Cc1cccc(NNC(=S)Nc2ccc3c(c2)OCCO3)c1 ZINC000017450490 618774506 /nfs/dbraw/zinc/77/45/06/618774506.db2.gz PEEOXOYIOREMRK-UHFFFAOYSA-N 0 0 315.398 3.080 20 10 DGCDRN Nc1ccc(OCc2cn([C@H]3CCCc4ccccc43)nn2)cc1 ZINC000881213791 625292305 /nfs/dbraw/zinc/29/23/05/625292305.db2.gz HXPYCOBYTLIXKW-IBGZPJMESA-N 0 0 320.396 3.365 20 10 DGCDRN COc1ccc(CNCC(F)(F)C(C)(C)C)c(O)c1OC ZINC000895461580 618787317 /nfs/dbraw/zinc/78/73/17/618787317.db2.gz SBCLFLFBYOMOAG-UHFFFAOYSA-N 0 0 303.349 3.180 20 10 DGCDRN CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)C12CCCC2 ZINC000841299494 618790875 /nfs/dbraw/zinc/79/08/75/618790875.db2.gz HQWKCDQXXMWVCH-HUUCEWRRSA-N 0 0 303.406 3.128 20 10 DGCDRN Cc1ccc(C2=NO[C@H](C[NH2+]Cc3ccccc3O)C2)cc1C ZINC000895499884 618793444 /nfs/dbraw/zinc/79/34/44/618793444.db2.gz ZUBYJDSZUSYPAQ-KRWDZBQOSA-N 0 0 310.397 3.292 20 10 DGCDRN CO[C@]1(C(F)(F)F)CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000895577450 618801258 /nfs/dbraw/zinc/80/12/58/618801258.db2.gz KUNSPZMDWKCSDN-GFCCVEGCSA-N 0 0 309.715 3.199 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCCOC1 ZINC000895662195 618813877 /nfs/dbraw/zinc/81/38/77/618813877.db2.gz BSDVUESFIIUWKO-IINYFYTJSA-N 0 0 301.789 3.480 20 10 DGCDRN CC(C)(C)c1cc(CN[C@H]2CCOC2=O)c(O)c(C(C)(C)C)c1 ZINC000895798880 618833237 /nfs/dbraw/zinc/83/32/37/618833237.db2.gz KOKKZPCCBPMGIX-HNNXBMFYSA-N 0 0 319.445 3.392 20 10 DGCDRN CCOC(=O)[C@@](C)(NCc1ccc(C)cc1O)c1ccccc1 ZINC000895896681 618848003 /nfs/dbraw/zinc/84/80/03/618848003.db2.gz YVIACDKTFBDTLY-IBGZPJMESA-N 0 0 313.397 3.269 20 10 DGCDRN [O-]c1cccc(F)c1C[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000896637890 618939784 /nfs/dbraw/zinc/93/97/84/618939784.db2.gz QLKYMSNAORDGGV-UHFFFAOYSA-N 0 0 320.330 3.038 20 10 DGCDRN CCOc1cc(C[NH2+]Cc2c([O-])cccc2F)ccc1OC ZINC000896641329 618940383 /nfs/dbraw/zinc/94/03/83/618940383.db2.gz QIROOABNCVHKOC-UHFFFAOYSA-N 0 0 305.349 3.228 20 10 DGCDRN COc1cc(O)c(CNc2cnn(C3CCCC3)c2)cc1OC ZINC000896696620 618947533 /nfs/dbraw/zinc/94/75/33/618947533.db2.gz JNZOEORTKDMZHB-UHFFFAOYSA-N 0 0 317.389 3.333 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)C(F)F ZINC000881276924 625311059 /nfs/dbraw/zinc/31/10/59/625311059.db2.gz BRJKMXYSEPRYJO-LLVKDONJSA-N 0 0 300.349 3.358 20 10 DGCDRN COc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cc1C ZINC000025888733 619022868 /nfs/dbraw/zinc/02/28/68/619022868.db2.gz BGHJMVJYBRHZDY-PTNGSMBKSA-N 0 0 316.426 3.460 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000897271255 619040269 /nfs/dbraw/zinc/04/02/69/619040269.db2.gz JOQWLNLYSPCUDV-ZDUSSCGKSA-N 0 0 311.372 3.309 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1 ZINC000897360092 619082272 /nfs/dbraw/zinc/08/22/72/619082272.db2.gz WLRQAFDZKSZRNV-RHNCMZPLSA-N 0 0 317.816 3.228 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)N3CC(C)(C)C3)cc2)CC1 ZINC000788989421 625315952 /nfs/dbraw/zinc/31/59/52/625315952.db2.gz SCVUBKXXSNELEL-UHFFFAOYSA-N 0 0 315.461 3.474 20 10 DGCDRN CC[C@@H](C)[N@H+](CC(=O)[O-])Cc1ccc(N2CCCCC2)cc1 ZINC000840996660 619107746 /nfs/dbraw/zinc/10/77/46/619107746.db2.gz GLNGYQCSJGLRBH-OAHLLOKOSA-N 0 0 304.434 3.362 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccc2c(c1)CCO2 ZINC000897417943 619108568 /nfs/dbraw/zinc/10/85/68/619108568.db2.gz HCSHBQPMXMLFFV-SNVBAGLBSA-N 0 0 305.324 3.456 20 10 DGCDRN O=C(NCc1c(F)cccc1OC(F)F)C1=CC(=O)CS1 ZINC000752808950 619108629 /nfs/dbraw/zinc/10/86/29/619108629.db2.gz ZNQAXTUJKQBBOG-UHFFFAOYSA-N 0 0 317.288 3.124 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000897431854 619118822 /nfs/dbraw/zinc/11/88/22/619118822.db2.gz IKFUXSGNTRAYFK-UHFFFAOYSA-N 0 0 323.799 3.471 20 10 DGCDRN C[C@@H](NCc1ncnn1C(C)(C)C)c1ccc(Cl)cc1O ZINC000841754145 619157748 /nfs/dbraw/zinc/15/77/48/619157748.db2.gz ZWQZDNSZCBLQAH-SNVBAGLBSA-N 0 0 308.813 3.243 20 10 DGCDRN C[C@@H]1CCSCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897554287 619158981 /nfs/dbraw/zinc/15/89/81/619158981.db2.gz BXPFBTKFQRLMPZ-SECBINFHSA-N 0 0 323.439 3.280 20 10 DGCDRN CC[C@@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1cccc(Cl)c1[O-] ZINC000841763021 619166406 /nfs/dbraw/zinc/16/64/06/619166406.db2.gz TUQFCZOXWIRHNU-ZWNOBZJWSA-N 0 0 318.795 3.426 20 10 DGCDRN O=C(N[C@H]1CCCC1(F)F)c1cc2cc(O)c(O)cc2s1 ZINC000897770817 619178601 /nfs/dbraw/zinc/17/86/01/619178601.db2.gz NPFXHJNIFOSRFN-LBPRGKRZSA-N 0 0 313.325 3.230 20 10 DGCDRN CCC(CC)(CNC(=O)c1cc2cc(O)c(O)cc2s1)OC ZINC000897831687 619186389 /nfs/dbraw/zinc/18/63/89/619186389.db2.gz ABPITJFGRLMDKG-UHFFFAOYSA-N 0 0 323.414 3.248 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1CCSC(C)(C)C1 ZINC000897877854 619190342 /nfs/dbraw/zinc/19/03/42/619190342.db2.gz NQVJCKVAKZFYGG-ZDUSSCGKSA-N 0 0 308.447 3.208 20 10 DGCDRN O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1cc2cc(O)c(O)cc2s1 ZINC000897963416 619199778 /nfs/dbraw/zinc/19/97/78/619199778.db2.gz ZCCWEDMWKOJKGS-DVVUODLYSA-N 0 0 303.383 3.231 20 10 DGCDRN Cn1nc(CNCc2cc(Cl)ccc2O)cc1C(F)(F)F ZINC000898023480 619206858 /nfs/dbraw/zinc/20/68/58/619206858.db2.gz YFLGBLJALCOPRY-UHFFFAOYSA-N 0 0 319.714 3.088 20 10 DGCDRN COC(=O)CC1CCC([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000898215242 619222397 /nfs/dbraw/zinc/22/23/97/619222397.db2.gz KEHINJSFJARHMC-UHFFFAOYSA-N 0 0 311.809 3.257 20 10 DGCDRN COc1cc(O)c(C[NH2+]Cc2cccc(Cl)c2[O-])cc1OC ZINC000898219324 619222885 /nfs/dbraw/zinc/22/28/85/619222885.db2.gz XABYCLXGFQTYES-UHFFFAOYSA-N 0 0 323.776 3.058 20 10 DGCDRN COc1cccc(C[C@@H](C)[NH2+]Cc2cccc(Cl)c2[O-])n1 ZINC000898219561 619222974 /nfs/dbraw/zinc/22/29/74/619222974.db2.gz ZOLKXMQHJXDUIL-LLVKDONJSA-N 0 0 306.793 3.170 20 10 DGCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCCC(F)(F)C1 ZINC000898270726 619230973 /nfs/dbraw/zinc/23/09/73/619230973.db2.gz XEFPLIANBYDWEN-UHFFFAOYSA-N 0 0 313.325 3.184 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000898276663 619231518 /nfs/dbraw/zinc/23/15/18/619231518.db2.gz CWCXUVOWEWNFNU-MVCUKOFQSA-N 0 0 311.834 3.336 20 10 DGCDRN CC(C)Oc1ccccc1NC(=O)NCCc1ccc(N)cc1 ZINC000841043452 619245568 /nfs/dbraw/zinc/24/55/68/619245568.db2.gz RLPQHOMUQJCGEM-UHFFFAOYSA-N 0 0 313.401 3.420 20 10 DGCDRN CCn1nc(C)c([C@@H](C)NCc2ccc(N3CCCC3)cc2)n1 ZINC000924647984 619252970 /nfs/dbraw/zinc/25/29/70/619252970.db2.gz KCHCOHMQEGVFSP-CQSZACIVSA-N 0 0 313.449 3.057 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1ocnc1C ZINC000923796558 619259126 /nfs/dbraw/zinc/25/91/26/619259126.db2.gz KCAZFVYGMOPFSN-UHFFFAOYSA-N 0 0 317.389 3.201 20 10 DGCDRN CC(C)[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1cnn(C)c1 ZINC000927071780 619262108 /nfs/dbraw/zinc/26/21/08/619262108.db2.gz UQERARPRBCVEBL-MEDUHNTESA-N 0 0 318.377 3.082 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000898511642 619281966 /nfs/dbraw/zinc/28/19/66/619281966.db2.gz CZUGGZJAAHAJSD-STQMWFEESA-N 0 0 311.372 3.309 20 10 DGCDRN CN(CC1=CCSC1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898989001 619305436 /nfs/dbraw/zinc/30/54/36/619305436.db2.gz PVYHGQUKWGVPBW-UHFFFAOYSA-N 0 0 321.423 3.058 20 10 DGCDRN O=C(NCC[C@H]1CC1(F)F)c1cc2cc(O)c(O)cc2s1 ZINC000899043508 619308146 /nfs/dbraw/zinc/30/81/46/619308146.db2.gz YTKJBZFRDAYJHY-QMMMGPOBSA-N 0 0 313.325 3.088 20 10 DGCDRN CCOc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)o1 ZINC000899343085 619327455 /nfs/dbraw/zinc/32/74/55/619327455.db2.gz NQLSUBYJSRYDDQ-ZRDIBKRKSA-N 0 0 306.387 3.135 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)Cc2sc(C)cc2C)c1 ZINC000901128266 619473321 /nfs/dbraw/zinc/47/33/21/619473321.db2.gz VCDBTTCUVNITSL-LBPRGKRZSA-N 0 0 319.426 3.499 20 10 DGCDRN Cc1cnc(Cl)c(/C=C2/SC(N3CCCCC3)=NC2=O)c1 ZINC000901435959 619501558 /nfs/dbraw/zinc/50/15/58/619501558.db2.gz LNGXKKPXPQOZTE-XYOKQWHBSA-N 0 0 321.833 3.500 20 10 DGCDRN Cc1cc(Cn2cc(-c3cc[nH]n3)nn2)ccc1N1CCCCC1 ZINC000881378538 625356980 /nfs/dbraw/zinc/35/69/80/625356980.db2.gz DVPJTXQYDWIYEU-UHFFFAOYSA-N 0 0 322.416 3.015 20 10 DGCDRN CCOCc1cn(Cc2ccc(N3CCCCC3)c(C)c2)nn1 ZINC000881379358 625357107 /nfs/dbraw/zinc/35/71/07/625357107.db2.gz PLXVCKZCLCJRLX-UHFFFAOYSA-N 0 0 314.433 3.162 20 10 DGCDRN CCN(C(=O)C[NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccccc1 ZINC000903197485 619734642 /nfs/dbraw/zinc/73/46/42/619734642.db2.gz PIQMDZHPYQQDCB-ZDUSSCGKSA-N 0 0 316.376 3.235 20 10 DGCDRN C[C@@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1c([O-])cccc1F ZINC000903240621 619742880 /nfs/dbraw/zinc/74/28/80/619742880.db2.gz VUSXYZULLFTVIW-GFCCVEGCSA-N 0 0 303.381 3.379 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1C)c1cccc(C(F)(F)F)c1[O-] ZINC000903301268 619753815 /nfs/dbraw/zinc/75/38/15/619753815.db2.gz PETLODFUGRKBOU-OPQQBVKSSA-N 0 0 302.340 3.154 20 10 DGCDRN C[C@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cccc(C(F)(F)F)c1[O-] ZINC000903287385 619754388 /nfs/dbraw/zinc/75/43/88/619754388.db2.gz ROFJFXIWJJZOKV-NPZCKLCXSA-N 0 0 313.319 3.237 20 10 DGCDRN C[C@@H]([NH2+]CCOC1CCSCC1)c1cc(F)cc(F)c1[O-] ZINC000903444811 619777638 /nfs/dbraw/zinc/77/76/38/619777638.db2.gz CLCSNKCWYMWOQS-SNVBAGLBSA-N 0 0 317.401 3.233 20 10 DGCDRN COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000903450390 619778466 /nfs/dbraw/zinc/77/84/66/619778466.db2.gz GYSNPPHVMBWSHU-UMNHJUIQSA-N 0 0 313.344 3.053 20 10 DGCDRN CCCOc1ccccc1NC[C@@H](O)C[C@H](O)c1ccccc1 ZINC000905301343 619988139 /nfs/dbraw/zinc/98/81/39/619988139.db2.gz PDWILGDLWJAKEB-WMZOPIPTSA-N 0 0 315.413 3.372 20 10 DGCDRN CCCOc1ccccc1NC[C@H](O)C[C@H](O)c1ccccc1 ZINC000905301340 619988267 /nfs/dbraw/zinc/98/82/67/619988267.db2.gz PDWILGDLWJAKEB-AEFFLSMTSA-N 0 0 315.413 3.372 20 10 DGCDRN Oc1c(F)cc(F)cc1CNc1nnc(CC2CCCC2)o1 ZINC000905407630 619994589 /nfs/dbraw/zinc/99/45/89/619994589.db2.gz GTQSGYRDIQGJOK-UHFFFAOYSA-N 0 0 309.316 3.398 20 10 DGCDRN CC(C)(C)c1cc(O)c(O)c(CN2CCn3cccc3C2)c1 ZINC000905743843 620025575 /nfs/dbraw/zinc/02/55/75/620025575.db2.gz ALGNUCCKDSIPRA-UHFFFAOYSA-N 0 0 300.402 3.213 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(Cl)nc1F ZINC000906713659 620114457 /nfs/dbraw/zinc/11/44/57/620114457.db2.gz DEHVEYFFZVOBHJ-UHFFFAOYSA-N 0 0 321.783 3.179 20 10 DGCDRN O=C(OC[C@H]1CCC[C@H](C(F)(F)F)O1)C1=CC(=O)CS1 ZINC000909004822 620234832 /nfs/dbraw/zinc/23/48/32/620234832.db2.gz YQAVRUQBCBLBIR-PSASIEDQSA-N 0 0 310.293 3.111 20 10 DGCDRN CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NCc1ccc(O)cc1O ZINC000910950467 620318558 /nfs/dbraw/zinc/31/85/58/620318558.db2.gz FTTLFJDTRXLVSQ-PVUWLOKVSA-N 0 0 321.417 3.088 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)Nc2sccc2C#N)cc1 ZINC000150728235 620387869 /nfs/dbraw/zinc/38/78/69/620387869.db2.gz NWIVDGKZNXORIN-UHFFFAOYSA-N 0 0 315.398 3.093 20 10 DGCDRN CCOc1ccc(N(C)CC[S@@](=O)c2ccccc2)cc1 ZINC000150733553 620388637 /nfs/dbraw/zinc/38/86/37/620388637.db2.gz HFIOKNLSFWCGNA-NRFANRHFSA-N 0 0 303.427 3.329 20 10 DGCDRN CCCS(=O)(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000151224697 620431707 /nfs/dbraw/zinc/43/17/07/620431707.db2.gz NCUXWLKKYUZXRW-UHFFFAOYSA-N 0 0 311.447 3.267 20 10 DGCDRN CN1C(=O)/C(=C/c2csc(Br)c2)SC1=S ZINC000913514867 620447374 /nfs/dbraw/zinc/44/73/74/620447374.db2.gz SLYOVKJXTPGBMO-KXFIGUGUSA-N 0 0 320.258 3.342 20 10 DGCDRN C[C@H](NC(=O)c1ccnc(NC2CCC2)c1)c1ccccc1O ZINC000913763855 620477993 /nfs/dbraw/zinc/47/79/93/620477993.db2.gz TUYXKJWGNDYYEL-LBPRGKRZSA-N 0 0 311.385 3.243 20 10 DGCDRN CCn1nccc1/C=C1/SC(=S)N(c2ccccc2)C1=O ZINC000152150360 620495211 /nfs/dbraw/zinc/49/52/11/620495211.db2.gz XXPQKWNHSDNAJO-JLHYYAGUSA-N 0 0 315.423 3.309 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCC[C@@H]1CCCC1(F)F ZINC000914417949 620527825 /nfs/dbraw/zinc/52/78/25/620527825.db2.gz YCBHWUCKZJFMGI-RNZFLTOJSA-N 0 0 311.328 3.053 20 10 DGCDRN COc1ccc(N(CC(C)C)C(=O)/C=C\c2cnn(C)c2)cc1 ZINC000914528523 620540844 /nfs/dbraw/zinc/54/08/44/620540844.db2.gz BGKCFYHGFLFHJF-YHYXMXQVSA-N 0 0 313.401 3.131 20 10 DGCDRN CCc1ccccc1C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000153299096 620547774 /nfs/dbraw/zinc/54/77/74/620547774.db2.gz PHUDUDQQJUCNCK-UHFFFAOYSA-N 0 0 310.397 3.338 20 10 DGCDRN Cc1cc(C(=O)N(C)Cc2ccco2)c(C)n1-c1ccccn1 ZINC000914846777 620557200 /nfs/dbraw/zinc/55/72/00/620557200.db2.gz SNCPLJQGZSHNLV-UHFFFAOYSA-N 0 0 309.369 3.354 20 10 DGCDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)[C@H]1COCCO1 ZINC000915128378 620569021 /nfs/dbraw/zinc/56/90/21/620569021.db2.gz IHGDYCPHIBKBSU-MRXNPFEDSA-N 0 0 311.341 3.456 20 10 DGCDRN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1nccs1 ZINC000153301469 620599750 /nfs/dbraw/zinc/59/97/50/620599750.db2.gz ZJEWSIXKBZEAAJ-UONOGXRCSA-N 0 0 317.458 3.392 20 10 DGCDRN CCO[C@H]1C[C@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000916114586 620618549 /nfs/dbraw/zinc/61/85/49/620618549.db2.gz GUQQSLRRMQKWFK-MSOLQXFVSA-N 0 0 316.445 3.060 20 10 DGCDRN CN(C)c1ccc(CN2CCOC[C@H]2c2cccc(F)c2)cc1 ZINC000852549849 620628703 /nfs/dbraw/zinc/62/87/03/620628703.db2.gz PVAKEDMISWHITF-IBGZPJMESA-N 0 0 314.404 3.465 20 10 DGCDRN Cc1cc(C(=O)NCC2CSC2)c(C)n1-c1ccc(F)cc1 ZINC000854873943 620847913 /nfs/dbraw/zinc/84/79/13/620847913.db2.gz OAJAKAZQFLCNJH-UHFFFAOYSA-N 0 0 318.417 3.326 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCC2(C)C)cc1 ZINC000855020486 620863610 /nfs/dbraw/zinc/86/36/10/620863610.db2.gz QJISCUYUHYSYNT-INIZCTEOSA-N 0 0 304.434 3.026 20 10 DGCDRN CO[C@H](C(=O)NCc1cc(Cl)ccc1O)C1CCCCC1 ZINC000855023204 620863719 /nfs/dbraw/zinc/86/37/19/620863719.db2.gz UVXKFLGGOCBVAZ-HNNXBMFYSA-N 0 0 311.809 3.257 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)/C=C(\C)C(C)(C)C)C2)cc1 ZINC000855226378 620881623 /nfs/dbraw/zinc/88/16/23/620881623.db2.gz RMOXSUNOJHLEQJ-OKFGHLOFSA-N 0 0 316.445 3.383 20 10 DGCDRN CC/C(C)=C(/C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855224517 620881665 /nfs/dbraw/zinc/88/16/65/620881665.db2.gz FQUCBFVSWFWNOG-PLFFATQSSA-N 0 0 302.418 3.137 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCC(C)(C)C3)C2)cc1 ZINC000855224548 620881887 /nfs/dbraw/zinc/88/18/87/620881887.db2.gz FWNPMBWYAHNRRK-CABCVRRESA-N 0 0 316.445 3.216 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCC(C)(C)C3)C2)cc1 ZINC000855224552 620881940 /nfs/dbraw/zinc/88/19/40/620881940.db2.gz FWNPMBWYAHNRRK-HUUCEWRRSA-N 0 0 316.445 3.216 20 10 DGCDRN CC[C@@H](C)CCC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855223263 620881943 /nfs/dbraw/zinc/88/19/43/620881943.db2.gz FBFUQCMCLLAIAX-HUUCEWRRSA-N 0 0 304.434 3.216 20 10 DGCDRN CCC[C@H](C)CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855229340 620882202 /nfs/dbraw/zinc/88/22/02/620882202.db2.gz ITIVAIHTRBYVGO-LSDHHAIUSA-N 0 0 304.434 3.216 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)C(C)(C)C(C)(C)C)C2)cc1 ZINC000855226991 620882219 /nfs/dbraw/zinc/88/22/19/620882219.db2.gz SEPHMMZGDBPGNX-CQSZACIVSA-N 0 0 318.461 3.462 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)[C@]3(C)CCC[C@H]3C)C2)cc1 ZINC000855226979 620882336 /nfs/dbraw/zinc/88/23/36/620882336.db2.gz RUKGCRQHJRTSGE-ZRGWGRIASA-N 0 0 316.445 3.216 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)CC3=CCCCC3)C2)cc1 ZINC000855229645 620882380 /nfs/dbraw/zinc/88/23/80/620882380.db2.gz BNGRJMFEWHWZTL-MRXNPFEDSA-N 0 0 314.429 3.281 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)c3cccc(C)c3)C2)cc1 ZINC000855234666 620882836 /nfs/dbraw/zinc/88/28/36/620882836.db2.gz IMKAKYACGZEUHP-INIZCTEOSA-N 0 0 310.397 3.012 20 10 DGCDRN Cc1nc(C2(NCc3ccc(N(C)C)c(F)c3)CCCC2)no1 ZINC000113332005 620904415 /nfs/dbraw/zinc/90/44/15/620904415.db2.gz UNJIVEASLGGGLO-UHFFFAOYSA-N 0 0 318.396 3.142 20 10 DGCDRN Cc1cccc2nc(CNCc3c(O)cccc3Cl)cn21 ZINC000113340692 620905020 /nfs/dbraw/zinc/90/50/20/620905020.db2.gz KCPZWWMONCBXQN-UHFFFAOYSA-N 0 0 301.777 3.292 20 10 DGCDRN COc1cccc([C@@]2(C)CCN(C(=O)C3=CC(=O)CS3)C2)c1 ZINC000855838778 620940820 /nfs/dbraw/zinc/94/08/20/620940820.db2.gz RGLGMRPMRFSRIT-KRWDZBQOSA-N 0 0 317.410 3.266 20 10 DGCDRN C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C1CCC(F)CC1 ZINC000856080570 620959066 /nfs/dbraw/zinc/95/90/66/620959066.db2.gz LBJSCIAIDSSKCH-UDUMQJOISA-N 0 0 307.365 3.144 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@@H](C2CCC2)C1 ZINC000856171859 620968514 /nfs/dbraw/zinc/96/85/14/620968514.db2.gz BBVBSVPJAZZOIW-SOIVGHGOSA-N 0 0 301.386 3.150 20 10 DGCDRN CCCCCCC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856210272 620972456 /nfs/dbraw/zinc/97/24/56/620972456.db2.gz VCJDAWDKQZQFAG-UHFFFAOYSA-N 0 0 318.461 3.234 20 10 DGCDRN Cc1cc(C(=O)NCCOCCF)c(C)n1-c1cccc(C)c1 ZINC000856471176 620997320 /nfs/dbraw/zinc/99/73/20/620997320.db2.gz HYCOCQHZZJRGHJ-UHFFFAOYSA-N 0 0 318.392 3.118 20 10 DGCDRN Cc1ccc(C(=O)N2CCOc3ccccc3[C@H]2C)c(O)c1O ZINC000856487082 620998498 /nfs/dbraw/zinc/99/84/98/620998498.db2.gz OIESDIIYAORKRG-GFCCVEGCSA-N 0 0 313.353 3.002 20 10 DGCDRN CC(C)n1cc(C(C)(C)NCc2ccc3c(c2)CCCO3)nn1 ZINC000922195642 621004633 /nfs/dbraw/zinc/00/46/33/621004633.db2.gz UATZWDAAJGHEPA-UHFFFAOYSA-N 0 0 314.433 3.209 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2ccc3c(c2)CCCC3)c1 ZINC000114542220 621009262 /nfs/dbraw/zinc/00/92/62/621009262.db2.gz SMYRDXYKEVGHES-UHFFFAOYSA-N 0 0 311.381 3.210 20 10 DGCDRN CCOc1cncc(/C=C2/SC(=S)N(C3CCC3)C2=O)c1 ZINC000856718018 621010504 /nfs/dbraw/zinc/01/05/04/621010504.db2.gz IERJHVITBNDLDF-NTUHNPAUSA-N 0 0 320.439 3.234 20 10 DGCDRN COc1cc(N(C)Cc2cncc(Cl)c2)cc(OC)c1OC ZINC000856726542 621012363 /nfs/dbraw/zinc/01/23/63/621012363.db2.gz LBERQXUADUOXPG-UHFFFAOYSA-N 0 0 322.792 3.397 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NCCC2CCCCC2)c1 ZINC000114588218 621016768 /nfs/dbraw/zinc/01/67/68/621016768.db2.gz OFUDWJWALSQOPO-UHFFFAOYSA-N 0 0 306.406 3.170 20 10 DGCDRN CCOc1ccc(O)c(CN[C@H]2c3ccccc3OC[C@@H]2F)c1 ZINC000922527441 621051079 /nfs/dbraw/zinc/05/10/79/621051079.db2.gz ZNCVLKMAFGYGQI-YJBOKZPZSA-N 0 0 317.360 3.352 20 10 DGCDRN C[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1CO ZINC000857062223 621052919 /nfs/dbraw/zinc/05/29/19/621052919.db2.gz ZCZGJLHJOUCBRJ-ONGXEEELSA-N 0 0 304.217 3.149 20 10 DGCDRN Cc1cc(CC[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])nn1C ZINC000922689466 621081651 /nfs/dbraw/zinc/08/16/51/621081651.db2.gz IJRQJEVTSGAITQ-UHFFFAOYSA-N 0 0 314.216 3.073 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C[C@H]2CCc3ccccc32)cc1 ZINC000115205587 621089635 /nfs/dbraw/zinc/08/96/35/621089635.db2.gz XHLNBQNGCJUVGO-QGZVFWFLSA-N 0 0 308.425 3.489 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(Cl)nc1 ZINC000115279701 621092885 /nfs/dbraw/zinc/09/28/85/621092885.db2.gz UKZVZTLJJVITRC-UHFFFAOYSA-N 0 0 303.793 3.039 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc2[nH]ccc2c1 ZINC000115279484 621092976 /nfs/dbraw/zinc/09/29/76/621092976.db2.gz YRZOQWFNLAKQCX-UHFFFAOYSA-N 0 0 307.397 3.472 20 10 DGCDRN CN(C)c1cccc(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC000857547089 621094876 /nfs/dbraw/zinc/09/48/76/621094876.db2.gz QUHFVWUZMSJCNP-UHFFFAOYSA-N 0 0 304.777 3.042 20 10 DGCDRN CCC[C@@H](O)CC[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000922820944 621105074 /nfs/dbraw/zinc/10/50/74/621105074.db2.gz MTEQDXSMOFIBEL-GFCCVEGCSA-N 0 0 316.239 3.104 20 10 DGCDRN CCCCN(CCOC)C(=O)NCc1ccc(N(C)C)cc1C ZINC000115854004 621152497 /nfs/dbraw/zinc/15/24/97/621152497.db2.gz KVESDACXKVVQKQ-UHFFFAOYSA-N 0 0 321.465 3.019 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CCCN1CC(F)F ZINC000858232519 621166843 /nfs/dbraw/zinc/16/68/43/621166843.db2.gz ZVNUOIKFILEHQG-SECBINFHSA-N 0 0 322.758 3.004 20 10 DGCDRN Cc1ccc(O)c(CNCc2ncc(C(F)(F)F)s2)c1 ZINC000858240052 621167095 /nfs/dbraw/zinc/16/70/95/621167095.db2.gz ZWCXBKXSLOQWEN-UHFFFAOYSA-N 0 0 302.321 3.466 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@]2(C)c2ccccc2)c1 ZINC000858248187 621168155 /nfs/dbraw/zinc/16/81/55/621168155.db2.gz UADQWZCMCUTUKU-PKOBYXMFSA-N 0 0 310.397 3.230 20 10 DGCDRN Cc1cc(C[N@@H+]2CCC[C@H](CC(=O)[O-])CC2)ccc1N(C)C ZINC000923241161 621168419 /nfs/dbraw/zinc/16/84/19/621168419.db2.gz OVTMJFJXKQIURA-HNNXBMFYSA-N 0 0 304.434 3.138 20 10 DGCDRN Cc1cc(CNCc2cc(C)n(-c3ccccc3)c2C)nn1C ZINC000858294396 621172519 /nfs/dbraw/zinc/17/25/19/621172519.db2.gz IGUOOCBCHRKSOF-UHFFFAOYSA-N 0 0 308.429 3.426 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N(C)C2CC2)cc1 ZINC000858422343 621188486 /nfs/dbraw/zinc/18/84/86/621188486.db2.gz JAUOCUMLZCEFLM-UHFFFAOYSA-N 0 0 310.397 3.070 20 10 DGCDRN CC[C@H]([NH2+][C@H]1CC=C(C(=O)OC)C1)c1cccc(Cl)c1[O-] ZINC000858471147 621194893 /nfs/dbraw/zinc/19/48/93/621194893.db2.gz BMZVUXAIWIOJML-FZMZJTMJSA-N 0 0 309.793 3.348 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H]2CCCCC2(F)F)c1 ZINC000858500546 621198479 /nfs/dbraw/zinc/19/84/79/621198479.db2.gz ISBYSTDDVIJOQF-ZDUSSCGKSA-N 0 0 312.360 3.325 20 10 DGCDRN CCOC(=O)C1=CC[C@@H]([NH2+][C@H](CC)c2ccc(F)cc2[O-])C1 ZINC000858505871 621199846 /nfs/dbraw/zinc/19/98/46/621199846.db2.gz BPMVFRQYMVBVLR-UKRRQHHQSA-N 0 0 307.365 3.224 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H](C)CC(F)(F)F)c1 ZINC000858540644 621203002 /nfs/dbraw/zinc/20/30/02/621203002.db2.gz KNYQOWKJAFRAJQ-JTQLQIEISA-N 0 0 304.312 3.088 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@]2(F)c2ccccc2)c1 ZINC000858554807 621204348 /nfs/dbraw/zinc/20/43/48/621204348.db2.gz SPKHOKHMPDIPAV-AEFFLSMTSA-N 0 0 314.360 3.137 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc[nH]c1=O)c1cccc(C(F)(F)F)c1[O-] ZINC000858562601 621204923 /nfs/dbraw/zinc/20/49/23/621204923.db2.gz FMUASCMVMRNBML-SECBINFHSA-N 0 0 312.291 3.362 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@H]1CCCc2c(F)cccc21 ZINC000838062303 621207808 /nfs/dbraw/zinc/20/78/08/621207808.db2.gz SDRPRKMWSYBXHA-INIZCTEOSA-N 0 0 314.360 3.408 20 10 DGCDRN CCC[C@H](OCC)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000858835793 621223973 /nfs/dbraw/zinc/22/39/73/621223973.db2.gz KQLLMEOMJJFMFL-SFHVURJKSA-N 0 0 318.461 3.498 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CCCC3(CC3)CC2)cc1OC ZINC000858836357 621224317 /nfs/dbraw/zinc/22/43/17/621224317.db2.gz ZRWMYXAGNHFNOR-UHFFFAOYSA-N 0 0 306.362 3.383 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCc3ccccc3CC2)cc1 ZINC000116407150 621229886 /nfs/dbraw/zinc/22/98/86/621229886.db2.gz XLECGNSALJOZIN-UHFFFAOYSA-N 0 0 323.440 3.063 20 10 DGCDRN CCCOC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000858910806 621231017 /nfs/dbraw/zinc/23/10/17/621231017.db2.gz ZIZDYRGFAPRWHT-BETUJISGSA-N 0 0 324.396 3.076 20 10 DGCDRN C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccns1 ZINC000858966854 621235835 /nfs/dbraw/zinc/23/58/35/621235835.db2.gz VQZRCWCGQNNWSU-GFCCVEGCSA-N 0 0 318.446 3.112 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3C[C@H]2CS3)cc1 ZINC000838325878 621237674 /nfs/dbraw/zinc/23/76/74/621237674.db2.gz WUVAPJGSWQHMLY-IRXDYDNUSA-N 0 0 312.438 3.424 20 10 DGCDRN COc1ccc(N2CCN(Cc3ncccc3Cl)CC2)cc1 ZINC000859056505 621243239 /nfs/dbraw/zinc/24/32/39/621243239.db2.gz XQNIUPACPYGBBA-UHFFFAOYSA-N 0 0 317.820 3.066 20 10 DGCDRN CC[C@@H]1CCC[C@@H]1CNC(=O)NCc1cc(OC)ccc1O ZINC000838474314 621257956 /nfs/dbraw/zinc/25/79/56/621257956.db2.gz IDZGXJCEDARDDE-CHWSQXEVSA-N 0 0 306.406 3.026 20 10 DGCDRN CC(C)[C@]1(C)C[C@@H]1NC(=O)NCCCSc1nccs1 ZINC000838515488 621261888 /nfs/dbraw/zinc/26/18/88/621261888.db2.gz WWJGLZNYEOICON-FZMZJTMJSA-N 0 0 313.492 3.359 20 10 DGCDRN COc1cccc(CNC(=O)N[C@@H](C)[C@@H]2CCC[C@@H](C)C2)c1O ZINC000838729713 621274167 /nfs/dbraw/zinc/27/41/67/621274167.db2.gz ISSFOMMQBVQYPO-HZSPNIEDSA-N 0 0 320.433 3.415 20 10 DGCDRN COc1cccc(CNC(=O)N[C@@H](C)[C@H]2CCC[C@@H](C)C2)c1O ZINC000838729787 621274263 /nfs/dbraw/zinc/27/42/63/621274263.db2.gz ISSFOMMQBVQYPO-RDBSUJKOSA-N 0 0 320.433 3.415 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CC[C@H](C)O1 ZINC000838743661 621274582 /nfs/dbraw/zinc/27/45/82/621274582.db2.gz YBEJLOLXAGUABM-HOCLYGCPSA-N 0 0 320.433 3.271 20 10 DGCDRN CCN(CCn1cc(Cl)cn1)c1ccc(OC)c(OC)c1 ZINC000838878206 621295903 /nfs/dbraw/zinc/29/59/03/621295903.db2.gz PNDGUWOFGRGNHX-UHFFFAOYSA-N 0 0 309.797 3.080 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1cn2cc(C)ccc2n1 ZINC000860048714 621358272 /nfs/dbraw/zinc/35/82/72/621358272.db2.gz BKPQKKIWOGQAHP-UHFFFAOYSA-N 0 0 323.396 3.401 20 10 DGCDRN C[C@H]1C[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000103413690 621362900 /nfs/dbraw/zinc/36/29/00/621362900.db2.gz YCGOJFXJJQVXCL-FZMZJTMJSA-N 0 0 314.351 3.300 20 10 DGCDRN CSCCCCCCC(=O)NCCc1ccc(O)c(O)c1 ZINC000860234353 621385421 /nfs/dbraw/zinc/38/54/21/621385421.db2.gz FDJRANRBQTXZRT-UHFFFAOYSA-N 0 0 311.447 3.070 20 10 DGCDRN CCC[C@H](OCC)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000860243293 621385938 /nfs/dbraw/zinc/38/59/38/621385938.db2.gz JMYTVIFNFQKGCM-KRWDZBQOSA-N 0 0 305.418 3.092 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2nc(C3CC3)cs2)c1 ZINC000860330637 621395314 /nfs/dbraw/zinc/39/53/14/621395314.db2.gz VVHVPYZHKVINDW-UHFFFAOYSA-N 0 0 303.387 3.356 20 10 DGCDRN CN1CCCc2cc(CNc3ncnc4ccncc43)ccc21 ZINC000752637297 621402858 /nfs/dbraw/zinc/40/28/58/621402858.db2.gz ZPLZHNSABMCJCM-UHFFFAOYSA-N 0 0 305.385 3.019 20 10 DGCDRN CO[C@H]1CCN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1 ZINC000752738467 621406928 /nfs/dbraw/zinc/40/69/28/621406928.db2.gz YKBVDVJPGPCSFU-INIZCTEOSA-N 0 0 312.413 3.263 20 10 DGCDRN COC[C@@H]1CCCN1C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000752743027 621407254 /nfs/dbraw/zinc/40/72/54/621407254.db2.gz IHBXOZHTRMYAPD-SFHVURJKSA-N 0 0 312.413 3.345 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](c1ccccc1)C1CC1 ZINC000117570569 621416489 /nfs/dbraw/zinc/41/64/89/621416489.db2.gz TWYZUOLUXKDAPS-BQHJZSHBSA-N 0 0 309.365 3.379 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2nc(C(C)(C)C)ns2)c1 ZINC000860593306 621421029 /nfs/dbraw/zinc/42/10/29/621421029.db2.gz BAIAZZAYLZCBGA-UHFFFAOYSA-N 0 0 320.418 3.171 20 10 DGCDRN Cn1c2ccc(OC(=O)c3cccnn3)cc2c2c1CCCC2 ZINC000860847294 621449762 /nfs/dbraw/zinc/44/97/62/621449762.db2.gz JDTVIEVISYZDRL-UHFFFAOYSA-N 0 0 307.353 3.066 20 10 DGCDRN COc1ccc(O)c(CNc2nc(C)cc(C(F)(F)F)n2)c1 ZINC000754030245 621481041 /nfs/dbraw/zinc/48/10/41/621481041.db2.gz MOKHIZLFPZUSKH-UHFFFAOYSA-N 0 0 313.279 3.130 20 10 DGCDRN Cc1cc(C(=O)OCC(=O)C2CCC2)c(C)n1-c1ccccn1 ZINC000754073484 621485415 /nfs/dbraw/zinc/48/54/15/621485415.db2.gz KTZFAXGAHDVALK-UHFFFAOYSA-N 0 0 312.369 3.015 20 10 DGCDRN Cc1ccc(/C=C\C(=O)N2CCCN(C)c3ccccc32)cn1 ZINC000754297666 621501843 /nfs/dbraw/zinc/50/18/43/621501843.db2.gz JVRXOHRWWMMOQO-KHPPLWFESA-N 0 0 307.397 3.276 20 10 DGCDRN COc1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)ncn1 ZINC000754352731 621505088 /nfs/dbraw/zinc/50/50/88/621505088.db2.gz COLNWVYMHGADFI-UHFFFAOYSA-N 0 0 322.368 3.145 20 10 DGCDRN COc1ccc(CNC(=O)c2oc(C(F)F)cc2C)c(O)c1 ZINC000861490425 621518258 /nfs/dbraw/zinc/51/82/58/621518258.db2.gz UIDGATPVHOFVQQ-UHFFFAOYSA-N 0 0 311.284 3.170 20 10 DGCDRN Cc1nc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2s1 ZINC000754832690 621535630 /nfs/dbraw/zinc/53/56/30/621535630.db2.gz KYRIGXJDYIZZKB-IZZDOVSWSA-N 0 0 306.437 3.436 20 10 DGCDRN CCN(CC)c1ccc(CNc2cncc(OC)n2)cc1F ZINC000754835679 621536267 /nfs/dbraw/zinc/53/62/67/621536267.db2.gz JTRDSKYPIGBLJL-UHFFFAOYSA-N 0 0 304.369 3.083 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCCCF)c1 ZINC000861788573 621537880 /nfs/dbraw/zinc/53/78/80/621537880.db2.gz HYVUUKJIQLXMHO-UHFFFAOYSA-N 0 0 316.376 3.386 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@@H](C)CF)ccc1C ZINC000861821240 621539085 /nfs/dbraw/zinc/53/90/85/621539085.db2.gz YCEADCHOBMNTLA-LBPRGKRZSA-N 0 0 316.376 3.303 20 10 DGCDRN CC(C)CCSCC(=O)NCc1ccc2cccnc2c1O ZINC000862027980 621551039 /nfs/dbraw/zinc/55/10/39/621551039.db2.gz LTAJWJAKZKGQRO-UHFFFAOYSA-N 0 0 318.442 3.336 20 10 DGCDRN CCC1=C(C(=O)NCc2ccc3cccnc3c2O)CCCO1 ZINC000862026377 621551108 /nfs/dbraw/zinc/55/11/08/621551108.db2.gz MEOPVELKZUEKJR-UHFFFAOYSA-N 0 0 312.369 3.031 20 10 DGCDRN CC(C)Cc1c[nH]c(C(=O)NCc2ccc3cccnc3c2O)c1 ZINC000862024600 621551297 /nfs/dbraw/zinc/55/12/97/621551297.db2.gz CEWMUFMDURKTPQ-UHFFFAOYSA-N 0 0 323.396 3.397 20 10 DGCDRN CN(C)c1cc(F)c(CN2CCC[C@@H](n3ccnc3)C2)cc1F ZINC000862238194 621565187 /nfs/dbraw/zinc/56/51/87/621565187.db2.gz PKBKPYPEEFAPRN-CQSZACIVSA-N 0 0 320.387 3.064 20 10 DGCDRN Oc1cccc(Br)c1CN(CC(F)F)C1CC1 ZINC000862241285 621566213 /nfs/dbraw/zinc/56/62/13/621566213.db2.gz ZEOBIBSQYQPQKI-UHFFFAOYSA-N 0 0 306.150 3.384 20 10 DGCDRN CC(C)(CCCO)C[NH2+]Cc1cccc(Br)c1[O-] ZINC000221384381 621566892 /nfs/dbraw/zinc/56/68/92/621566892.db2.gz CNDXBOZKNJBMMF-UHFFFAOYSA-N 0 0 316.239 3.043 20 10 DGCDRN C[C@H]1CCN(Cc2c(O)cccc2Br)C[C@@H]1F ZINC000862302133 621573305 /nfs/dbraw/zinc/57/33/05/621573305.db2.gz XFJZYEUWWDZTCH-CABZTGNLSA-N 0 0 302.187 3.335 20 10 DGCDRN CCOC(=O)c1cccc(CN(C)c2ccc(OCC)cc2)n1 ZINC000862306146 621573539 /nfs/dbraw/zinc/57/35/39/621573539.db2.gz DUWNDGJNBHJVOU-UHFFFAOYSA-N 0 0 314.385 3.293 20 10 DGCDRN COc1cc(N(C)C[C@]2(C)CCCS2)cc(OC)c1OC ZINC000862306285 621573816 /nfs/dbraw/zinc/57/38/16/621573816.db2.gz IIFVALNBRUPXOO-INIZCTEOSA-N 0 0 311.447 3.434 20 10 DGCDRN Cc1ccncc1CN(C)Cc1c(O)cccc1Br ZINC000862351605 621577023 /nfs/dbraw/zinc/57/70/23/621577023.db2.gz RMGQRWHGBLLKKZ-UHFFFAOYSA-N 0 0 321.218 3.490 20 10 DGCDRN CN(C)c1cc(F)c(CN2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1F ZINC000862381115 621582379 /nfs/dbraw/zinc/58/23/79/621582379.db2.gz VELJHXJDPMPFLK-MSOLQXFVSA-N 0 0 322.399 3.174 20 10 DGCDRN Oc1c(Br)cccc1Cn1cnc2c1CCCC2 ZINC000862431886 621588730 /nfs/dbraw/zinc/58/87/30/621588730.db2.gz UZPHMQKGIKXABF-UHFFFAOYSA-N 0 0 307.191 3.278 20 10 DGCDRN Oc1cc(Br)ccc1Cn1cnc2c1CCCC2 ZINC000862432045 621589116 /nfs/dbraw/zinc/58/91/16/621589116.db2.gz PLERHTNDIRSNTJ-UHFFFAOYSA-N 0 0 307.191 3.278 20 10 DGCDRN O=C(NCc1ccccc1O)c1cc(F)cc(C(F)(F)F)c1 ZINC000755767969 621592078 /nfs/dbraw/zinc/59/20/78/621592078.db2.gz KLEFIDFDKFSUPT-UHFFFAOYSA-N 0 0 313.250 3.480 20 10 DGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CC(Cc3ccco3)C2)c1[O-] ZINC000862487172 621595301 /nfs/dbraw/zinc/59/53/01/621595301.db2.gz NWIUXIGODPENKR-UHFFFAOYSA-N 0 0 322.748 3.221 20 10 DGCDRN CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000862529825 621597425 /nfs/dbraw/zinc/59/74/25/621597425.db2.gz OQIFYFDXMOCNMO-ZJLVBBDCSA-N 0 0 323.392 3.419 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CCCC3(CC3)CC2)ccc1[N+](=O)[O-] ZINC000862538981 621598323 /nfs/dbraw/zinc/59/83/23/621598323.db2.gz HWKNVLWOMOWNBO-UHFFFAOYSA-N 0 0 306.362 3.075 20 10 DGCDRN C/C=C/C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000862551698 621600849 /nfs/dbraw/zinc/60/08/49/621600849.db2.gz XSTYHYYSCNQXEP-ITDFMYJTSA-N 0 0 320.389 3.487 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2C[C@@H]3C[C@@H]3C2)ccc1C ZINC000862557826 621601132 /nfs/dbraw/zinc/60/11/32/621601132.db2.gz KDQAWTDPQLUTQA-CALCHBBNSA-N 0 0 322.408 3.307 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCOc3ccc(F)cc32)c1O ZINC000756058694 621612604 /nfs/dbraw/zinc/61/26/04/621612604.db2.gz WQMWDGVKDDVOEI-UHFFFAOYSA-N 0 0 319.307 3.272 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cnc(C(C)(C)C)s2)c1 ZINC000862759067 621614230 /nfs/dbraw/zinc/61/42/30/621614230.db2.gz ULFRIZFGFOPHRI-UHFFFAOYSA-N 0 0 304.415 3.385 20 10 DGCDRN CCCn1ncc(C(=O)NCc2cc(C)ccc2O)c1C1CC1 ZINC000862758384 621614328 /nfs/dbraw/zinc/61/43/28/621614328.db2.gz WXMCPNBUGOBZRN-UHFFFAOYSA-N 0 0 313.401 3.115 20 10 DGCDRN Cc1ccc(OCCC(=O)NCc2cc(C)ccc2O)c(C)c1 ZINC000862759811 621614816 /nfs/dbraw/zinc/61/48/16/621614816.db2.gz LMZHBWCZOFRDCB-UHFFFAOYSA-N 0 0 313.397 3.403 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CCOC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756770560 621663277 /nfs/dbraw/zinc/66/32/77/621663277.db2.gz WBYOGRWHQFVEQA-APPZFPTMSA-N 0 0 320.614 3.248 20 10 DGCDRN O=C([O-])C1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCCC1 ZINC000756305912 621626356 /nfs/dbraw/zinc/62/63/56/621626356.db2.gz DHSRMSFAXYNDBO-UHFFFAOYSA-N 0 0 316.445 3.412 20 10 DGCDRN C[C@H]([NH2+]CCc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756340093 621629324 /nfs/dbraw/zinc/62/93/24/621629324.db2.gz HVODRDARAMIKDF-NSHDSACASA-N 0 0 304.321 3.333 20 10 DGCDRN CC1([C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C(=O)[O-])CCCCC1 ZINC000756380043 621633164 /nfs/dbraw/zinc/63/31/64/621633164.db2.gz DPSZXMXBRQJHTD-INIZCTEOSA-N 0 0 303.402 3.135 20 10 DGCDRN C[C@@]1(C(=O)[O-])CCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000756385411 621633846 /nfs/dbraw/zinc/63/38/46/621633846.db2.gz DMOIKIDJWUTQAC-IEBWSBKVSA-N 0 0 316.445 3.410 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1cc(F)cc(F)c1[O-] ZINC000756402717 621635479 /nfs/dbraw/zinc/63/54/79/621635479.db2.gz OFJXHUCIQTWUCA-LKFCYVNXSA-N 0 0 307.344 3.132 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](C)N1CCC[C@@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000756410837 621636446 /nfs/dbraw/zinc/63/64/46/621636446.db2.gz KJTKFRYOCQZGDT-JHJVBQTASA-N 0 0 312.404 3.441 20 10 DGCDRN COCCOc1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000756432883 621638252 /nfs/dbraw/zinc/63/82/52/621638252.db2.gz SNKDYDWGLYPRBT-ZDUSSCGKSA-N 0 0 319.376 3.407 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1COc2ccccc2C1)c1ccc(F)cc1[O-] ZINC000756458194 621639390 /nfs/dbraw/zinc/63/93/90/621639390.db2.gz UGCVLBJGTCJWAK-STQMWFEESA-N 0 0 301.361 3.433 20 10 DGCDRN C[C@H](CN1CCC[C@@H](C)C1)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756460799 621639936 /nfs/dbraw/zinc/63/99/36/621639936.db2.gz SYFHVLYZZDDQNB-UPJWGTAASA-N 0 0 312.404 3.441 20 10 DGCDRN C[C@H](CN1CCC[C@@H](C)C1)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756460797 621639965 /nfs/dbraw/zinc/63/99/65/621639965.db2.gz SYFHVLYZZDDQNB-JHJVBQTASA-N 0 0 312.404 3.441 20 10 DGCDRN COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756459501 621639989 /nfs/dbraw/zinc/63/99/89/621639989.db2.gz NWJIRRQZJCSGHS-ZUZCIYMTSA-N 0 0 323.339 3.063 20 10 DGCDRN COc1ccc(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])c(OC)c1 ZINC000756495380 621642173 /nfs/dbraw/zinc/64/21/73/621642173.db2.gz JPRRIMSBDBSGPK-GFCCVEGCSA-N 0 0 319.376 3.442 20 10 DGCDRN CC[C@](C)(CO)C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000863163565 621644184 /nfs/dbraw/zinc/64/41/84/621644184.db2.gz JAAREEQDAXABLH-LJQANCHMSA-N 0 0 314.429 3.119 20 10 DGCDRN Cc1cc(CNC(=O)C2=CCOCC2)c(C)n1-c1cccc(C)c1 ZINC000863162254 621644277 /nfs/dbraw/zinc/64/42/77/621644277.db2.gz ZUDUEINJGFQEQI-UHFFFAOYSA-N 0 0 324.424 3.365 20 10 DGCDRN Cc1cc(CNC(=O)[C@H]2CC2(F)F)c(C)n1-c1ccccc1 ZINC000863163393 621644346 /nfs/dbraw/zinc/64/43/46/621644346.db2.gz AQAPZHJXAVRFDB-OAHLLOKOSA-N 0 0 304.340 3.366 20 10 DGCDRN Cc1cc(CNC(=O)[C@H]2CCCOC2)c(C)n1-c1ccccc1 ZINC000863164785 621644537 /nfs/dbraw/zinc/64/45/37/621644537.db2.gz AUXNGIIKUGJACR-INIZCTEOSA-N 0 0 312.413 3.137 20 10 DGCDRN Cc1cc(CNC(=O)C2=CCOCC2)c(C)n1-c1ccccc1 ZINC000863165502 621644642 /nfs/dbraw/zinc/64/46/42/621644642.db2.gz BYIZJRVEGFQFHA-UHFFFAOYSA-N 0 0 310.397 3.057 20 10 DGCDRN Cc1cc(CNC(=O)C2=CCCCO2)c(C)n1-c1ccccc1 ZINC000863165516 621644772 /nfs/dbraw/zinc/64/47/72/621644772.db2.gz CRVCKNNNQQVJRC-UHFFFAOYSA-N 0 0 310.397 3.405 20 10 DGCDRN CC[C@@](C)(O)C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756555074 621647910 /nfs/dbraw/zinc/64/79/10/621647910.db2.gz RRFQNFOIGMUYPM-AMIZOPFISA-N 0 0 320.202 3.105 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)Nc1ccc(F)c(Cl)c1 ZINC000119326055 621648113 /nfs/dbraw/zinc/64/81/13/621648113.db2.gz VDCORFAUHPSAES-UHFFFAOYSA-N 0 0 310.712 3.212 20 10 DGCDRN C[C@H]([NH2+]C[C@@]1(O)CCCc2ccccc21)c1ccc(F)cc1[O-] ZINC000756561744 621649192 /nfs/dbraw/zinc/64/91/92/621649192.db2.gz HQGDEZHMVSVLLW-DJJJIMSYSA-N 0 0 315.388 3.406 20 10 DGCDRN CC[C@@H](COC)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756596164 621651608 /nfs/dbraw/zinc/65/16/08/621651608.db2.gz YGKXGFZZMXOGMQ-IUCAKERBSA-N 0 0 320.202 3.369 20 10 DGCDRN CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C12CCC2 ZINC000756615090 621653046 /nfs/dbraw/zinc/65/30/46/621653046.db2.gz VSFPVORDWWUSAF-HFBAOOFYSA-N 0 0 320.389 3.299 20 10 DGCDRN CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C12CCC2 ZINC000756615094 621653232 /nfs/dbraw/zinc/65/32/32/621653232.db2.gz VSFPVORDWWUSAF-KNXALSJPSA-N 0 0 320.389 3.299 20 10 DGCDRN C[C@H]([NH2+]CCCNc1ccccn1)c1cc(F)cc(F)c1[O-] ZINC000756642643 621655011 /nfs/dbraw/zinc/65/50/11/621655011.db2.gz PEQQPAPJWLVZLU-NSHDSACASA-N 0 0 307.344 3.218 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CSCCS1)c1cc(F)cc(F)c1[O-] ZINC000756640160 621655047 /nfs/dbraw/zinc/65/50/47/621655047.db2.gz KEDTYSXKICRMOF-WPRPVWTQSA-N 0 0 305.415 3.170 20 10 DGCDRN C[C@H]([NH2+][C@H](CCO)C1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756660178 621657282 /nfs/dbraw/zinc/65/72/82/621657282.db2.gz KJIGIIVNAKOEEU-BLLLJJGKSA-N 0 0 322.405 3.282 20 10 DGCDRN C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cc([N+](=O)[O-])ccc1[O-] ZINC000756673280 621657856 /nfs/dbraw/zinc/65/78/56/621657856.db2.gz XVSUQYUHQNCMMQ-JTQLQIEISA-N 0 0 317.301 3.059 20 10 DGCDRN Cc1cccc([C@H](O)C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756762754 621662956 /nfs/dbraw/zinc/66/29/56/621662956.db2.gz RAHWXZPBWGQJSC-MEDUHNTESA-N 0 0 307.340 3.363 20 10 DGCDRN C[C@@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756786056 621664454 /nfs/dbraw/zinc/66/44/54/621664454.db2.gz WYSPXGBOCUJRHD-PIGZYNQJSA-N 0 0 313.357 3.497 20 10 DGCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2ccccc2OC)c1 ZINC000756790617 621664869 /nfs/dbraw/zinc/66/48/69/621664869.db2.gz PLSHLWOSPAFCNK-NSHDSACASA-N 0 0 301.342 3.361 20 10 DGCDRN c1csc(SCCCNc2ncnc3ncccc32)n1 ZINC000119465127 621673958 /nfs/dbraw/zinc/67/39/58/621673958.db2.gz AXLBBUWDYGWGKA-UHFFFAOYSA-N 0 0 303.416 3.076 20 10 DGCDRN COc1ccc(N2CCN(c3nc(C)c(C)s3)CC2)cc1 ZINC000756954590 621675037 /nfs/dbraw/zinc/67/50/37/621675037.db2.gz JXVMOXJICKKDJV-UHFFFAOYSA-N 0 0 303.431 3.095 20 10 DGCDRN CN(C)c1ccc(CN(C)c2c(F)c(F)nc(F)c2F)cc1 ZINC000756955799 621675093 /nfs/dbraw/zinc/67/50/93/621675093.db2.gz DDIMFPKGDLQACC-UHFFFAOYSA-N 0 0 313.298 3.340 20 10 DGCDRN Cc1cc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)ccc1N(C)C ZINC000863476268 621676412 /nfs/dbraw/zinc/67/64/12/621676412.db2.gz YRVHOKRWNBLYMD-RYRKJORJSA-N 0 0 316.445 3.136 20 10 DGCDRN CCN(C)c1ccc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)cc1 ZINC000863475141 621676648 /nfs/dbraw/zinc/67/66/48/621676648.db2.gz IOFDCINZYWSQNN-BZSNNMDCSA-N 0 0 316.445 3.218 20 10 DGCDRN C[C@H]1CC(F)(F)CCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000863506580 621679042 /nfs/dbraw/zinc/67/90/42/621679042.db2.gz DOBDDYBRMDABFU-LBPRGKRZSA-N 0 0 311.376 3.082 20 10 DGCDRN CCN(CCCO)C(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000757201603 621693071 /nfs/dbraw/zinc/69/30/71/621693071.db2.gz JTWQBZMIFAOYAM-UHFFFAOYSA-N 0 0 314.429 3.247 20 10 DGCDRN CC(C)n1ncc(-c2nc(Cc3ccc(N)cc3)no2)c1Cl ZINC000863656170 621695263 /nfs/dbraw/zinc/69/52/63/621695263.db2.gz NMRMPRBPFXKTJF-UHFFFAOYSA-N 0 0 317.780 3.340 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ncc(C)s2)c1 ZINC000103503274 621697090 /nfs/dbraw/zinc/69/70/90/621697090.db2.gz BTTYHTNNEVLLFQ-SECBINFHSA-N 0 0 307.375 3.048 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000839652034 621703755 /nfs/dbraw/zinc/70/37/55/621703755.db2.gz YMGACMFKWSEKKH-VUCTXSBTSA-N 0 0 311.381 3.382 20 10 DGCDRN CCOC1CC(CN2CCCc3cc(OC)cc(OC)c32)C1 ZINC000839656174 621704324 /nfs/dbraw/zinc/70/43/24/621704324.db2.gz IPGVJPUMSYHBRR-UHFFFAOYSA-N 0 0 305.418 3.272 20 10 DGCDRN COc1cc2c(c(OC)c1)N(Cc1ncc(C)s1)CCC2 ZINC000839656187 621704382 /nfs/dbraw/zinc/70/43/82/621704382.db2.gz IXPFCGBPDRRRIF-UHFFFAOYSA-N 0 0 304.415 3.422 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@H]1C(=O)[O-] ZINC000863740374 621705849 /nfs/dbraw/zinc/70/58/49/621705849.db2.gz UTBUCKBZCIGREO-CRAIPNDOSA-N 0 0 316.445 3.220 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Cn2ccc3ccccc32)c1 ZINC000103529451 621712161 /nfs/dbraw/zinc/71/21/61/621712161.db2.gz WDXIJOVDJFJHFL-CYBMUJFWSA-N 0 0 324.380 3.233 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000839707136 621713048 /nfs/dbraw/zinc/71/30/48/621713048.db2.gz SUBUMQKTIIXNQU-CMPLNLGQSA-N 0 0 323.439 3.244 20 10 DGCDRN COc1cccc([C@@H](C)Nc2cccc(-n3nccn3)c2)c1O ZINC000864023193 621728426 /nfs/dbraw/zinc/72/84/26/621728426.db2.gz PIRAUHPAXHGBPV-GFCCVEGCSA-N 0 0 310.357 3.155 20 10 DGCDRN Oc1c(Cl)cccc1CNc1cccc(-n2nccn2)c1 ZINC000864043433 621730947 /nfs/dbraw/zinc/73/09/47/621730947.db2.gz KFKVIPRPSBTIOY-UHFFFAOYSA-N 0 0 300.749 3.238 20 10 DGCDRN C[C@H](CCCC(F)(F)F)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000757647139 621731132 /nfs/dbraw/zinc/73/11/32/621731132.db2.gz OIGNTXBRAPDXGN-BREXMAIKSA-N 0 0 317.307 3.348 20 10 DGCDRN COCC[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000757658162 621731528 /nfs/dbraw/zinc/73/15/28/621731528.db2.gz WQDBAWLFGGJICN-JSGCOSHPSA-N 0 0 307.365 3.423 20 10 DGCDRN C[C@H]1CCc2ccccc2N1C(=O)COc1ccc(N(C)C)cc1 ZINC000757701831 621734514 /nfs/dbraw/zinc/73/45/14/621734514.db2.gz CUQQVHVOYMTOEM-HNNXBMFYSA-N 0 0 324.424 3.499 20 10 DGCDRN CN(C)c1ccc(OCCOc2ccccc2[N+](=O)[O-])cc1 ZINC000757705338 621735033 /nfs/dbraw/zinc/73/50/33/621735033.db2.gz UILAMFOEEKGFHQ-UHFFFAOYSA-N 0 0 302.330 3.119 20 10 DGCDRN CN(C)c1ccc(OCCOc2cccc([N+](=O)[O-])c2)cc1 ZINC000757716645 621735916 /nfs/dbraw/zinc/73/59/16/621735916.db2.gz CXTKAYZBHLUSLE-UHFFFAOYSA-N 0 0 302.330 3.119 20 10 DGCDRN COc1ccc(OCCN(C)c2ccc(OC)c(F)c2)cc1 ZINC000757851566 621743002 /nfs/dbraw/zinc/74/30/02/621743002.db2.gz MBGZSDIOIKFHKU-UHFFFAOYSA-N 0 0 305.349 3.358 20 10 DGCDRN COc1ccc(COCCN(C)c2ccc(OC)c(F)c2)cc1 ZINC000757853155 621743290 /nfs/dbraw/zinc/74/32/90/621743290.db2.gz SXTHJYVKOPOLPB-UHFFFAOYSA-N 0 0 319.376 3.496 20 10 DGCDRN CC(C)c1cccc(S(=O)(=O)Nc2ccc(O)cc2F)c1 ZINC000758169706 621762771 /nfs/dbraw/zinc/76/27/71/621762771.db2.gz YGWWTBJTNTXQBX-UHFFFAOYSA-N 0 0 309.362 3.456 20 10 DGCDRN Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000015134779 621767866 /nfs/dbraw/zinc/76/78/66/621767866.db2.gz ZFQAPGPUXMIDDA-HNNXBMFYSA-N 0 0 312.413 3.145 20 10 DGCDRN CCOc1ccc(CNc2nnc(C(F)(F)F)s2)c(O)c1 ZINC000758443018 621782447 /nfs/dbraw/zinc/78/24/47/621782447.db2.gz TVKNXMMBAFDIHO-UHFFFAOYSA-N 0 0 319.308 3.273 20 10 DGCDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1cccc(O)c1O ZINC000758560089 621789618 /nfs/dbraw/zinc/78/96/18/621789618.db2.gz UWRRREGPVMFPEG-SNVBAGLBSA-N 0 0 317.297 3.232 20 10 DGCDRN O=C(OCc1nc2ccccc2s1)c1cccc(O)c1O ZINC000758579299 621790392 /nfs/dbraw/zinc/79/03/92/621790392.db2.gz FVQGOZIHENDDOL-UHFFFAOYSA-N 0 0 301.323 3.065 20 10 DGCDRN Cc1cc(NC(=O)NCCCSc2nccs2)sn1 ZINC000758617981 621792227 /nfs/dbraw/zinc/79/22/27/621792227.db2.gz IKBTYJQXWBXNBX-UHFFFAOYSA-N 0 0 314.461 3.212 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)C(C)(C)[C@H]2CCCCO2)cc1 ZINC000864634579 621794658 /nfs/dbraw/zinc/79/46/58/621794658.db2.gz RBJBPQUDAUBDRM-QGZVFWFLSA-N 0 0 318.461 3.306 20 10 DGCDRN O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)C1=CC(=O)CS1 ZINC000758716632 621797953 /nfs/dbraw/zinc/79/79/53/621797953.db2.gz ZURWRFNQVJANJM-OCCSQVGLSA-N 0 0 321.373 3.243 20 10 DGCDRN CC[C@@]1(C)CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000758731232 621798822 /nfs/dbraw/zinc/79/88/22/621798822.db2.gz YZUCTUPNFTXNRD-KRWDZBQOSA-N 0 0 307.413 3.223 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CC12CCCC2 ZINC000758840818 621805280 /nfs/dbraw/zinc/80/52/80/621805280.db2.gz OWWKWQUPDJDBKQ-KRWDZBQOSA-N 0 0 311.429 3.195 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CC[C@H](C)C(C)(C)C2)cc1OC ZINC000758956775 621814721 /nfs/dbraw/zinc/81/47/21/621814721.db2.gz YMMIJROEKMPOIT-NSHDSACASA-N 0 0 308.378 3.484 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cc(F)c(F)c(F)c1F ZINC000120257630 621821591 /nfs/dbraw/zinc/82/15/91/621821591.db2.gz QRHMRWFJMMPYCL-UHFFFAOYSA-N 0 0 313.250 3.221 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1CC12CCCC2)c1ccc(N(C)C)cc1 ZINC000759166423 621831236 /nfs/dbraw/zinc/83/12/36/621831236.db2.gz JKSDGSBBDHYWKU-XJKSGUPXSA-N 0 0 301.434 3.446 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1CC12CCCC2)c1ccc(N(C)C)cc1 ZINC000759166420 621831494 /nfs/dbraw/zinc/83/14/94/621831494.db2.gz JKSDGSBBDHYWKU-CZUORRHYSA-N 0 0 301.434 3.446 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@@H](C)O[C@H]1C ZINC000864949037 621835457 /nfs/dbraw/zinc/83/54/57/621835457.db2.gz FQQBWSMWJAPWHE-RVKKMQEKSA-N 0 0 318.461 3.303 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@@H](C)O[C@@H]1C ZINC000864949036 621835475 /nfs/dbraw/zinc/83/54/75/621835475.db2.gz FQQBWSMWJAPWHE-RKVPGOIHSA-N 0 0 318.461 3.303 20 10 DGCDRN CCCc1nc(COC(=O)/C=C\c2ccc(O)c(O)c2)cs1 ZINC000759593453 621873617 /nfs/dbraw/zinc/87/36/17/621873617.db2.gz OPBOMRGZTVPSNY-ALCCZGGFSA-N 0 0 319.382 3.263 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCc1ccc(CF)cc1 ZINC000759588442 621873716 /nfs/dbraw/zinc/87/37/16/621873716.db2.gz LMVSOUDWGNXAFT-SOFGYWHQSA-N 0 0 302.301 3.324 20 10 DGCDRN CC(C)[C@@H]1CCN(C(=O)NCCCSc2nccs2)C1 ZINC000759584766 621873719 /nfs/dbraw/zinc/87/37/19/621873719.db2.gz DBNGSDVLYOQINU-GFCCVEGCSA-N 0 0 313.492 3.313 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCc1ccc2c(c1)CCC2 ZINC000759589796 621873879 /nfs/dbraw/zinc/87/38/79/621873879.db2.gz SZGJIVCVMQHYCN-RMKNXTFCSA-N 0 0 310.349 3.343 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCCOC1CCCCCC1 ZINC000759596654 621874341 /nfs/dbraw/zinc/87/43/41/621874341.db2.gz PBWZIAJJFARIES-NTMALXAHSA-N 0 0 320.385 3.394 20 10 DGCDRN CCN(CC)c1ccc(CN(C)CC(=O)N[C@H](C)C(C)C)cc1 ZINC000759643070 621878481 /nfs/dbraw/zinc/87/84/81/621878481.db2.gz KRJIBCSJUICIML-MRXNPFEDSA-N 0 0 319.493 3.125 20 10 DGCDRN C[C@H](NC(=S)N1Cc2cccc(O)c2C1)c1cccs1 ZINC000865258362 621882743 /nfs/dbraw/zinc/88/27/43/621882743.db2.gz DGRAZXUPEWXEQE-JTQLQIEISA-N 0 0 304.440 3.405 20 10 DGCDRN CC(C)Cc1nnc(NCc2cc(F)c(N(C)C)cc2F)o1 ZINC000865289761 621890543 /nfs/dbraw/zinc/89/05/43/621890543.db2.gz VCNAPAVLJRFGFO-UHFFFAOYSA-N 0 0 310.348 3.224 20 10 DGCDRN Cc1cc(O)c(CNc2nnc([C@@H]3CCCO3)s2)cc1C ZINC000865296397 621892651 /nfs/dbraw/zinc/89/26/51/621892651.db2.gz XEEXZYIBCNOFRW-ZDUSSCGKSA-N 0 0 305.403 3.324 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@]2(C)CO)cc1 ZINC000760093528 621914920 /nfs/dbraw/zinc/91/49/20/621914920.db2.gz DMAPJURXDQPCSN-IBGZPJMESA-N 0 0 312.413 3.081 20 10 DGCDRN CC[C@](C)(CO)NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000760203951 621920941 /nfs/dbraw/zinc/92/09/41/621920941.db2.gz SZRZTBJQBATICE-LJQANCHMSA-N 0 0 314.429 3.293 20 10 DGCDRN COc1cc(F)cc(OC)c1CNCc1ccc2c(c1)CCO2 ZINC000865441753 621922350 /nfs/dbraw/zinc/92/23/50/621922350.db2.gz XQYKGCBMYCWKLY-UHFFFAOYSA-N 0 0 317.360 3.068 20 10 DGCDRN C[C@H](O)c1ccc(N(Cc2ccc(N(C)C)cc2)C2CC2)nc1 ZINC000865456324 621925704 /nfs/dbraw/zinc/92/57/04/621925704.db2.gz IHESSBJEODFZMJ-AWEZNQCLSA-N 0 0 311.429 3.370 20 10 DGCDRN O=C(NCc1cc(Cl)cc(Cl)c1[O-])NC1CC=CC1 ZINC000805203156 621941825 /nfs/dbraw/zinc/94/18/25/621941825.db2.gz ZKXZBEVUYFQBID-UHFFFAOYSA-N 0 0 301.173 3.217 20 10 DGCDRN Cc1cccc(C(=O)NCc2ccc3c(c2)CCCN3C)c1F ZINC000760473548 621943397 /nfs/dbraw/zinc/94/33/97/621943397.db2.gz CYRIVQZERZCKRV-UHFFFAOYSA-N 0 0 312.388 3.447 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(Cl)cs1 ZINC000760491790 621944754 /nfs/dbraw/zinc/94/47/54/621944754.db2.gz MZVOLZJYUYDADP-QMMMGPOBSA-N 0 0 311.790 3.174 20 10 DGCDRN C[C@@H](Nc1ccc(N2CCCC2)nn1)c1ccc(N(C)C)cc1 ZINC000865685318 621977854 /nfs/dbraw/zinc/97/78/54/621977854.db2.gz YHWXFYPDWKHSKN-CQSZACIVSA-N 0 0 311.433 3.316 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CC3(C2)CC(F)(F)C3)c1O ZINC000761115343 621987907 /nfs/dbraw/zinc/98/79/07/621987907.db2.gz RJZVHALTBPMCLI-UHFFFAOYSA-N 0 0 315.747 3.479 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000865761848 621990605 /nfs/dbraw/zinc/99/06/05/621990605.db2.gz IMXQTYILNRNIRN-BZNIZROVSA-N 0 0 313.800 3.480 20 10 DGCDRN CN(CC(C)(C)NC(=O)OC(C)(C)C)c1ccc2c(c1)OCO2 ZINC000761216912 621995283 /nfs/dbraw/zinc/99/52/83/621995283.db2.gz SMDCAXBVYPGXBG-UHFFFAOYSA-N 0 0 322.405 3.155 20 10 DGCDRN COc1cc(C)c(CN(C)c2ccc(OC)c(OC)c2)c(C)n1 ZINC000761219711 621995361 /nfs/dbraw/zinc/99/53/61/621995361.db2.gz BDKFHWOKYMMOGQ-UHFFFAOYSA-N 0 0 316.401 3.361 20 10 DGCDRN COc1ccc(N(C)Cc2c[nH]nc2C(C)(C)C)cc1OC ZINC000761223245 621995754 /nfs/dbraw/zinc/99/57/54/621995754.db2.gz YAAUKVNYVAIFLA-UHFFFAOYSA-N 0 0 303.406 3.361 20 10 DGCDRN COc1cc(CNc2ccn(CCF)n2)c(O)c(C(C)(C)C)c1 ZINC000865835886 622004037 /nfs/dbraw/zinc/00/40/37/622004037.db2.gz ILAKIXFARRVNNC-UHFFFAOYSA-N 0 0 321.396 3.476 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1ccnn1C ZINC000865839135 622005078 /nfs/dbraw/zinc/00/50/78/622005078.db2.gz HJUOCNMAAATPJA-QMMMGPOBSA-N 0 0 300.189 3.283 20 10 DGCDRN CCO[C@@H](CC(=O)N[C@@H](C)c1cc(OC)ccc1O)C(C)C ZINC000761539836 622015720 /nfs/dbraw/zinc/01/57/20/622015720.db2.gz DSPRSVIMLVQZAJ-LRDDRELGSA-N 0 0 309.406 3.029 20 10 DGCDRN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)N(C)C2(CCCC2)C1=O ZINC000761579899 622018934 /nfs/dbraw/zinc/01/89/34/622018934.db2.gz QLFFIAUYKXAYBB-CYBMUJFWSA-N 0 0 315.417 3.020 20 10 DGCDRN C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)[C@H]2CCCCCN2C1=O ZINC000761582019 622018976 /nfs/dbraw/zinc/01/89/76/622018976.db2.gz YWVBMRJFYUPOQS-XJKSGUPXSA-N 0 0 315.417 3.020 20 10 DGCDRN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)[C@H]2CCCCCN2C1=O ZINC000761582018 622019014 /nfs/dbraw/zinc/01/90/14/622019014.db2.gz YWVBMRJFYUPOQS-CZUORRHYSA-N 0 0 315.417 3.020 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)CCOc1ccc(Cl)cc1 ZINC000761746544 622027282 /nfs/dbraw/zinc/02/72/82/622027282.db2.gz WBFMLKDIHVQOFQ-UHFFFAOYSA-N 0 0 319.788 3.473 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCSC2)cc1 ZINC000761856032 622034197 /nfs/dbraw/zinc/03/41/97/622034197.db2.gz REZZKDVJQNXOPR-HNNXBMFYSA-N 0 0 306.475 3.244 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C)nc2Cl)c1 ZINC000761973405 622042735 /nfs/dbraw/zinc/04/27/35/622042735.db2.gz PLXIGZSTALQLET-SNVBAGLBSA-N 0 0 320.776 3.249 20 10 DGCDRN c1ccn(-c2ccc(-c3nc(CC4CCOCC4)no3)cc2)c1 ZINC000761978093 622042767 /nfs/dbraw/zinc/04/27/67/622042767.db2.gz UFOFGBMHQKESJR-UHFFFAOYSA-N 0 0 309.369 3.496 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCSC1 ZINC000762013731 622045878 /nfs/dbraw/zinc/04/58/78/622045878.db2.gz LBGXZNUDQTYFQM-OAHLLOKOSA-N 0 0 306.475 3.243 20 10 DGCDRN CCOc1cc(N2Cc3cccc(O)c3C2)ccc1[N+](=O)[O-] ZINC000866117832 622048542 /nfs/dbraw/zinc/04/85/42/622048542.db2.gz RYQIPESPDLQAHU-UHFFFAOYSA-N 0 0 300.314 3.219 20 10 DGCDRN CCOC(=O)c1cc(N2Cc3cccc(O)c3C2)ncc1Cl ZINC000866117204 622048599 /nfs/dbraw/zinc/04/85/99/622048599.db2.gz IDIHNOUQJLKXGA-UHFFFAOYSA-N 0 0 318.760 3.138 20 10 DGCDRN Cc1cc(C(=O)OC[C@@H]2CCSC2)c(C)n1-c1ccccn1 ZINC000762149550 622057756 /nfs/dbraw/zinc/05/77/56/622057756.db2.gz OZDBFICGSHUJCM-AWEZNQCLSA-N 0 0 316.426 3.399 20 10 DGCDRN Cc1cc(O)c(CNc2ccccc2C[S@](C)=O)cc1C ZINC000762557081 622083677 /nfs/dbraw/zinc/08/36/77/622083677.db2.gz SXHYADUEZIFXDM-NRFANRHFSA-N 0 0 303.427 3.500 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCOC[C@@H]1C ZINC000762707593 622093504 /nfs/dbraw/zinc/09/35/04/622093504.db2.gz TXDKRCVFGHRAQF-FZMZJTMJSA-N 0 0 318.442 3.310 20 10 DGCDRN COc1ccccc1C/C(C)=C/C(=O)NCc1ccccc1O ZINC000762808051 622100427 /nfs/dbraw/zinc/10/04/27/622100427.db2.gz LUXJJQQFKALZGQ-WYMLVPIESA-N 0 0 311.381 3.206 20 10 DGCDRN CC(C)[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@H](O)C(F)(F)F ZINC000866464850 622122664 /nfs/dbraw/zinc/12/26/64/622122664.db2.gz ZBVFMLBUIAJSAX-HJIKLVIJSA-N 0 0 309.303 3.130 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC000866598828 622144597 /nfs/dbraw/zinc/14/45/97/622144597.db2.gz RMTXFMXDXSXMKF-DLBZAZTESA-N 0 0 317.429 3.194 20 10 DGCDRN C[C@H]([NH2+]C1([C@H]2CCCCO2)CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866622590 622148969 /nfs/dbraw/zinc/14/89/69/622148969.db2.gz HKNAVWNSQNHZHL-BLLLJJGKSA-N 0 0 320.389 3.443 20 10 DGCDRN COC(=O)c1ccc(CN(C)c2ccc(OC(C)C)cc2)[nH]1 ZINC000763541675 622151439 /nfs/dbraw/zinc/15/14/39/622151439.db2.gz SEZZIYWUYKGZHR-UHFFFAOYSA-N 0 0 302.374 3.225 20 10 DGCDRN C[C@H](CCc1ccc(F)cc1)C(=O)NCc1ccccc1O ZINC000866754740 622162143 /nfs/dbraw/zinc/16/21/43/622162143.db2.gz DDAYJDAWGSCXPZ-CYBMUJFWSA-N 0 0 301.361 3.416 20 10 DGCDRN COCc1sccc1C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000866765675 622163087 /nfs/dbraw/zinc/16/30/87/622163087.db2.gz YOAWYOOWNCNQIA-SNVBAGLBSA-N 0 0 321.398 3.100 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)OCCC(F)(F)F ZINC000866797259 622164378 /nfs/dbraw/zinc/16/43/78/622164378.db2.gz QZUMTQOCANQUEV-UHFFFAOYSA-N 0 0 304.312 3.240 20 10 DGCDRN Cc1cnc(F)c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000867504233 622169478 /nfs/dbraw/zinc/16/94/78/622169478.db2.gz UDAUOSVWSOOQDE-GFCCVEGCSA-N 0 0 301.365 3.086 20 10 DGCDRN C[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)c1ccccc1 ZINC000121691583 622174245 /nfs/dbraw/zinc/17/42/45/622174245.db2.gz GGOGIDITOYIILC-OAHLLOKOSA-N 0 0 308.425 3.489 20 10 DGCDRN CC/C=C(\F)C(=O)NCc1cccc(Br)c1O ZINC000867831294 622187045 /nfs/dbraw/zinc/18/70/45/622187045.db2.gz TWKULZRQUPFJCX-WMZJFQQLSA-N 0 0 302.143 3.034 20 10 DGCDRN Cc1cc(S(=O)(=O)N[C@H](C)c2ccccc2O)c(C)s1 ZINC000867834612 622187252 /nfs/dbraw/zinc/18/72/52/622187252.db2.gz RVQUEBJMPWFRJP-SNVBAGLBSA-N 0 0 311.428 3.110 20 10 DGCDRN Cc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccccc2O)s1 ZINC000867836188 622187569 /nfs/dbraw/zinc/18/75/69/622187569.db2.gz IVXYELUDVGACFX-NSHDSACASA-N 0 0 311.428 3.110 20 10 DGCDRN C[C@H]1CC2(CCC2)CN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000764333853 622188884 /nfs/dbraw/zinc/18/88/84/622188884.db2.gz AIRCKNCQLZZULK-ZDUSSCGKSA-N 0 0 319.424 3.366 20 10 DGCDRN COc1ccc(N(C)C[C@@H](O)COc2ccccc2)cc1Cl ZINC000121894729 622189838 /nfs/dbraw/zinc/18/98/38/622189838.db2.gz GJOPNIOAGOYBKB-CQSZACIVSA-N 0 0 321.804 3.225 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N3CC[C@H](C4CC4)C3)ccc21 ZINC000764370719 622190425 /nfs/dbraw/zinc/19/04/25/622190425.db2.gz DUMDHXWTMDIGNT-KRWDZBQOSA-N 0 0 313.445 3.011 20 10 DGCDRN O=C(C1=CCCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000764397472 622191777 /nfs/dbraw/zinc/19/17/77/622191777.db2.gz WRCGZUMCOZSNIK-INIZCTEOSA-N 0 0 301.386 3.010 20 10 DGCDRN COCc1ccc(CNC(=O)N[C@H](C)c2ccccc2O)cc1 ZINC000868044638 622208301 /nfs/dbraw/zinc/20/83/01/622208301.db2.gz OWBIRXXKHILIMD-CYBMUJFWSA-N 0 0 314.385 3.099 20 10 DGCDRN C[C@H](CCc1ccc(F)cc1)C(=O)NCc1ccc(N)cc1 ZINC000868063080 622209915 /nfs/dbraw/zinc/20/99/15/622209915.db2.gz YCJWOODIIOVGKY-CYBMUJFWSA-N 0 0 300.377 3.293 20 10 DGCDRN C[C@@H](CCc1ccc(F)cc1)C(=O)NCc1ccc(N)cc1 ZINC000868063081 622209996 /nfs/dbraw/zinc/20/99/96/622209996.db2.gz YCJWOODIIOVGKY-ZDUSSCGKSA-N 0 0 300.377 3.293 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1C[C@H]1Cc1ccccc1)c1ccccc1O ZINC000868309318 622232827 /nfs/dbraw/zinc/23/28/27/622232827.db2.gz UBJPAHOYOYCGHS-LXZKKBNFSA-N 0 0 310.397 3.384 20 10 DGCDRN O=[N+]([O-])c1ncccc1NCc1cccc(Br)c1O ZINC000764935488 622233987 /nfs/dbraw/zinc/23/39/87/622233987.db2.gz VESHNJJLXHIJNX-UHFFFAOYSA-N 0 0 324.134 3.070 20 10 DGCDRN CCc1cnc(CCNC(=O)N[C@H](C)c2ccccc2O)s1 ZINC000868323357 622234915 /nfs/dbraw/zinc/23/49/15/622234915.db2.gz HSWXOOMSQLNBFC-LLVKDONJSA-N 0 0 319.430 3.014 20 10 DGCDRN COCCC1(CNC(=O)N[C@H](C)c2ccccc2O)CCCC1 ZINC000868400143 622240246 /nfs/dbraw/zinc/24/02/46/622240246.db2.gz FLCYGNQQLKUSQU-CQSZACIVSA-N 0 0 320.433 3.349 20 10 DGCDRN C[C@H](NC(=O)NCC(C)(C)[C@@H]1CCCCO1)c1ccccc1O ZINC000868397986 622240315 /nfs/dbraw/zinc/24/03/15/622240315.db2.gz HHIQKHQUXYGRKR-BBRMVZONSA-N 0 0 320.433 3.348 20 10 DGCDRN Cc1nc(CCNC(=O)N[C@H](C)c2ccccc2O)sc1C ZINC000868409186 622241133 /nfs/dbraw/zinc/24/11/33/622241133.db2.gz NVNUUBWEESKWHZ-LLVKDONJSA-N 0 0 319.430 3.068 20 10 DGCDRN CC(C)(NC(=O)C1=CC(=O)CS1)c1cc(C(F)(F)F)on1 ZINC000839797608 622241727 /nfs/dbraw/zinc/24/17/27/622241727.db2.gz BJYOKAVEEZDGHT-UHFFFAOYSA-N 0 0 320.292 3.126 20 10 DGCDRN CCc1cnccc1[C@@H](C)NC(=O)N[C@H](C)c1ccccc1O ZINC000868475926 622247533 /nfs/dbraw/zinc/24/75/33/622247533.db2.gz OPQLBAWZHKAMES-CHWSQXEVSA-N 0 0 313.401 3.471 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccccc1O ZINC000868555528 622257260 /nfs/dbraw/zinc/25/72/60/622257260.db2.gz KZYLBTMCSGXFAO-KNXALSJPSA-N 0 0 314.360 3.448 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccnn1C(C)C ZINC000765307641 622258192 /nfs/dbraw/zinc/25/81/92/622258192.db2.gz PTQKVFCVNIWGNH-UHFFFAOYSA-N 0 0 314.433 3.192 20 10 DGCDRN C[C@H](NC(=O)NC[C@H]1CC12CCSCC2)c1ccccc1O ZINC000868715081 622276479 /nfs/dbraw/zinc/27/64/79/622276479.db2.gz JJCBCHWGANBPNX-QWHCGFSZSA-N 0 0 320.458 3.286 20 10 DGCDRN C[C@H](NC(=O)N[C@H]1C[C@@H](OC(C)(C)C)C1)c1ccccc1O ZINC000868736837 622279144 /nfs/dbraw/zinc/27/91/44/622279144.db2.gz NSGHGJPOYNORGZ-RWMBFGLXSA-N 0 0 306.406 3.099 20 10 DGCDRN C[C@@H](NC(=O)NCC[C@@]1(C)C[C@@]1(F)Cl)c1ccccc1O ZINC000868742850 622279687 /nfs/dbraw/zinc/27/96/87/622279687.db2.gz DSSMXMDXTMCUMU-ONERCXAPSA-N 0 0 314.788 3.457 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1ccc2c(c1)CCO2 ZINC000765657511 622280452 /nfs/dbraw/zinc/28/04/52/622280452.db2.gz LNYIFYZMJZPHHC-UHFFFAOYSA-N 0 0 310.397 3.087 20 10 DGCDRN Cc1cnc(CCNC(=O)N[C@H](C)c2ccccc2O)c(C)c1 ZINC000868752041 622281128 /nfs/dbraw/zinc/28/11/28/622281128.db2.gz SEZANKHLKXJSGA-CQSZACIVSA-N 0 0 313.401 3.007 20 10 DGCDRN C[C@H](NC(=O)NC[C@H]1CCC2(CCCC2)O1)c1ccccc1O ZINC000868755719 622281481 /nfs/dbraw/zinc/28/14/81/622281481.db2.gz KNDQIEXKYNTFSU-UONOGXRCSA-N 0 0 318.417 3.244 20 10 DGCDRN Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)ccc1Cl ZINC000122314369 622288742 /nfs/dbraw/zinc/28/87/42/622288742.db2.gz NWCWZSUBHUEFCO-UHFFFAOYSA-N 0 0 305.761 3.032 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H](CO)C(C)C)cc1 ZINC000805315103 622293180 /nfs/dbraw/zinc/29/31/80/622293180.db2.gz OYIIGNIALICCAB-QGZVFWFLSA-N 0 0 314.429 3.088 20 10 DGCDRN Cc1ccc(CNC(=O)NCc2c(O)ccc3c2CCCC3)o1 ZINC000868968661 622303907 /nfs/dbraw/zinc/30/39/07/622303907.db2.gz CPCNRRAYTFVIPX-UHFFFAOYSA-N 0 0 314.385 3.172 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H](C1CCC1)[C@H]1CCCO1)c1ccccc1O ZINC000868988702 622306579 /nfs/dbraw/zinc/30/65/79/622306579.db2.gz AZIIZEGSKZSRHV-JLZZUVOBSA-N 0 0 318.417 3.100 20 10 DGCDRN CCC[C@H]1CC(=O)N(CN2CCCc3cc(OC)ccc32)C1 ZINC000766341919 622323012 /nfs/dbraw/zinc/32/30/12/622323012.db2.gz URBKEPXSCLGQQQ-AWEZNQCLSA-N 0 0 302.418 3.054 20 10 DGCDRN C[C@H](NCc1ccon1)c1ccc(N2CCOCC2)cc1Cl ZINC000766420606 622328290 /nfs/dbraw/zinc/32/82/90/622328290.db2.gz IUNJHTHMRVWRKP-LBPRGKRZSA-N 0 0 321.808 3.015 20 10 DGCDRN CCc1cccc(NC(=S)NCc2ccc(OC)cn2)c1 ZINC000766512659 622335192 /nfs/dbraw/zinc/33/51/92/622335192.db2.gz SPLVKFIBTHTQGV-UHFFFAOYSA-N 0 0 301.415 3.139 20 10 DGCDRN COc1cccc(C(C)(C)C(=O)NCc2cc(C)ccc2O)c1 ZINC000869409899 622352824 /nfs/dbraw/zinc/35/28/24/622352824.db2.gz FUWHPTWKYIMKLJ-UHFFFAOYSA-N 0 0 313.397 3.303 20 10 DGCDRN C[C@@H](NC(=O)[C@H]1CCCc2cccnc21)c1ccc(N(C)C)cc1 ZINC000766908787 622360802 /nfs/dbraw/zinc/36/08/02/622360802.db2.gz DUDYNUZLWFJHEQ-KDOFPFPSSA-N 0 0 323.440 3.445 20 10 DGCDRN CSC1(C(=O)NCc2ccc(N3CCCCC3)cc2)CC1 ZINC000789748608 625561018 /nfs/dbraw/zinc/56/10/18/625561018.db2.gz QVSDZSICYOCKAH-UHFFFAOYSA-N 0 0 304.459 3.189 20 10 DGCDRN Cc1cnc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000122839634 622415671 /nfs/dbraw/zinc/41/56/71/622415671.db2.gz AKVBTZXUSLLNIN-AWEZNQCLSA-N 0 0 317.458 3.139 20 10 DGCDRN O=C(CSc1nccc2ccccc21)NCc1ccccc1O ZINC000767926637 622428659 /nfs/dbraw/zinc/42/86/59/622428659.db2.gz NGQDYWWICWNIIS-UHFFFAOYSA-N 0 0 324.405 3.349 20 10 DGCDRN CC1(C)CCCC[C@H]1CC(=O)NCCc1ccc(O)c(O)c1 ZINC000122925617 622432451 /nfs/dbraw/zinc/43/24/51/622432451.db2.gz UJTWVBNJUNKWON-AWEZNQCLSA-N 0 0 305.418 3.363 20 10 DGCDRN Cc1cc(C(=O)NCc2cccnn2)c(C)n1-c1cccc(C)c1 ZINC000768020505 622433753 /nfs/dbraw/zinc/43/37/53/622433753.db2.gz OIMDNFIVPSVONW-UHFFFAOYSA-N 0 0 320.396 3.123 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(O)c(F)c1 ZINC000768252598 622447553 /nfs/dbraw/zinc/44/75/53/622447553.db2.gz BLAOSYZHOSXJGT-UHFFFAOYSA-N 0 0 303.333 3.289 20 10 DGCDRN O=C(NCc1ccccc1O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000768286482 622448605 /nfs/dbraw/zinc/44/86/05/622448605.db2.gz LGYLNBYOYBDTIP-NWDGAFQWSA-N 0 0 321.298 3.229 20 10 DGCDRN COc1cc(CN2CCc3ccc([N+](=O)[O-])cc32)c(O)cc1C ZINC000768441712 622455994 /nfs/dbraw/zinc/45/59/94/622455994.db2.gz GNLGECDINHKJNL-UHFFFAOYSA-N 0 0 314.341 3.180 20 10 DGCDRN COc1cc(O)c(CN(C)Cc2ccc(F)cc2F)cc1OC ZINC000768442653 622456346 /nfs/dbraw/zinc/45/63/46/622456346.db2.gz YFBGJVLTMDDWJC-UHFFFAOYSA-N 0 0 323.339 3.320 20 10 DGCDRN C[C@H]1CCc2ccccc2N1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768462119 622458010 /nfs/dbraw/zinc/45/80/10/622458010.db2.gz JPPFFUAGPOINJF-KPZWWZAWSA-N 0 0 311.381 3.159 20 10 DGCDRN Cc1cc(C(=O)Nc2cncnc2)c(C)n1-c1cccc(C)c1 ZINC000768619622 622467637 /nfs/dbraw/zinc/46/76/37/622467637.db2.gz CTGKIMNCCRMATE-UHFFFAOYSA-N 0 0 306.369 3.445 20 10 DGCDRN C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@@]12C[C@@H]1CCCC2 ZINC000870529484 622479160 /nfs/dbraw/zinc/47/91/60/622479160.db2.gz OBOMJVMLZVGSKP-DTNLBFGJSA-N 0 0 301.386 3.196 20 10 DGCDRN CCCN(Cc1ccc(N2CCOCC2)cc1)CC(F)(F)F ZINC000768867128 622481715 /nfs/dbraw/zinc/48/17/15/622481715.db2.gz CHPJQKDIDSSLHB-UHFFFAOYSA-N 0 0 316.367 3.298 20 10 DGCDRN Cc1nc([C@H]2CCCCN2Cc2c(O)cccc2Cl)no1 ZINC000768965457 622488561 /nfs/dbraw/zinc/48/85/61/622488561.db2.gz WBIIYPCBMMZNRN-CYBMUJFWSA-N 0 0 307.781 3.464 20 10 DGCDRN CC[C@H](C)[C@H](NC(=O)c1ccc(C)c(O)c1O)C(F)(F)F ZINC000769080280 622497192 /nfs/dbraw/zinc/49/71/92/622497192.db2.gz AEKSQKCPFYJEKF-MADCSZMMSA-N 0 0 305.296 3.113 20 10 DGCDRN CCOc1ccc(CN2CCCC[C@H]2c2ncc[nH]2)c(O)c1 ZINC000769211671 622508472 /nfs/dbraw/zinc/50/84/72/622508472.db2.gz YZVDEPBJZPFCQD-HNNXBMFYSA-N 0 0 301.390 3.241 20 10 DGCDRN C[C@@H](CSc1ccccc1)C(=O)NCc1ccccc1O ZINC000769363581 622520623 /nfs/dbraw/zinc/52/06/23/622520623.db2.gz VQIQJVXMIDVTMK-ZDUSSCGKSA-N 0 0 301.411 3.437 20 10 DGCDRN Cc1ccc(SCCC(=O)NCc2ccccc2O)cc1 ZINC000769366291 622521060 /nfs/dbraw/zinc/52/10/60/622521060.db2.gz XVUWHQCGJMHKDX-UHFFFAOYSA-N 0 0 301.411 3.499 20 10 DGCDRN Cc1cccc(C[N@@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000769480402 622532345 /nfs/dbraw/zinc/53/23/45/622532345.db2.gz NMZQOIIUYHNOLM-UHFFFAOYSA-N 0 0 321.764 3.289 20 10 DGCDRN C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@H](C(F)(F)F)O1 ZINC000769497561 622534068 /nfs/dbraw/zinc/53/40/68/622534068.db2.gz QZAPBZQQNISMCA-QMTHXVAHSA-N 0 0 320.330 3.043 20 10 DGCDRN C[C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@H](C(F)(F)F)O1 ZINC000769498219 622534165 /nfs/dbraw/zinc/53/41/65/622534165.db2.gz SCWKDSQNQIFSAW-PRHODGIISA-N 0 0 309.715 3.197 20 10 DGCDRN CCOc1ccc(CN(CC(=O)OC(C)(C)C)C(C)C)c(O)c1 ZINC000769502881 622534915 /nfs/dbraw/zinc/53/49/15/622534915.db2.gz DOWGQINKGBCYGV-UHFFFAOYSA-N 0 0 323.433 3.343 20 10 DGCDRN CC1=NN(c2ccc(C(=O)N3Cc4cccc(O)c4C3)cc2)CC1 ZINC000871199312 622565848 /nfs/dbraw/zinc/56/58/48/622565848.db2.gz WDHDVNHPULREKU-UHFFFAOYSA-N 0 0 321.380 3.134 20 10 DGCDRN COc1ccc(C2(C(=O)N3Cc4cccc(O)c4C3)CCC2)cc1 ZINC000871201232 622566447 /nfs/dbraw/zinc/56/64/47/622566447.db2.gz SGTHRJLISISBRI-UHFFFAOYSA-N 0 0 323.392 3.365 20 10 DGCDRN CN(C)c1ccc(C2(C(=O)N3Cc4cccc(O)c4C3)CC2)cc1 ZINC000871205015 622568107 /nfs/dbraw/zinc/56/81/07/622568107.db2.gz OKORHCLVRJWTKL-UHFFFAOYSA-N 0 0 322.408 3.032 20 10 DGCDRN COc1ccc([C@@H]2C[C@H]2CC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871205908 622568243 /nfs/dbraw/zinc/56/82/43/622568243.db2.gz NQBZYXNYHVYQHM-RDJZCZTQSA-N 0 0 323.392 3.437 20 10 DGCDRN O=C(/C=C/c1cccnc1)N1CCCc2ccc(F)c(F)c21 ZINC000770382370 622627775 /nfs/dbraw/zinc/62/77/75/622627775.db2.gz FCIRLOFFKITYAF-VMPITWQZSA-N 0 0 300.308 3.352 20 10 DGCDRN CCN1C(=O)/C(=C/c2c(C)ccc([N+](=O)[O-])c2C)SC1=S ZINC000871597795 622645163 /nfs/dbraw/zinc/64/51/63/622645163.db2.gz AAMCWPNRNDYJOT-GHXNOFRVSA-N 0 0 322.411 3.433 20 10 DGCDRN CCC[C@](C)(O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000770753922 622666907 /nfs/dbraw/zinc/66/69/07/622666907.db2.gz LGVFEKYFUUWQCS-IBGZPJMESA-N 0 0 318.461 3.186 20 10 DGCDRN CC(C)Nc1ccccc1NCC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000871847848 622715109 /nfs/dbraw/zinc/71/51/09/622715109.db2.gz XXPWSKXXZGYFRX-HUUCEWRRSA-N 0 0 303.450 3.423 20 10 DGCDRN C[C@H](CNC(=O)c1c(F)ccc(O)c1O)Sc1ccccc1 ZINC000789987043 625591268 /nfs/dbraw/zinc/59/12/68/625591268.db2.gz PTIXDTCYYMMNHF-SNVBAGLBSA-N 0 0 321.373 3.148 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1Cc2cccc(Br)c2C1 ZINC000771742943 622791009 /nfs/dbraw/zinc/79/10/09/622791009.db2.gz HWTXRQXLDVZAKV-UHFFFAOYSA-N 0 0 324.199 3.372 20 10 DGCDRN Cc1nonc1CN[C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000872135000 622827305 /nfs/dbraw/zinc/82/73/05/622827305.db2.gz BQZRFZKVQWMRAW-LURJTMIESA-N 0 0 302.161 3.241 20 10 DGCDRN COc1ccc2c(c1)CCCN2C(=O)/C=C\c1cncc(C)c1 ZINC000772029516 622837289 /nfs/dbraw/zinc/83/72/89/622837289.db2.gz MAGCGDBACOVUKF-YVMONPNESA-N 0 0 308.381 3.391 20 10 DGCDRN O=C(C=C1CCSCC1)NCc1ccc(N2CCCC2)cc1 ZINC000772149138 622856787 /nfs/dbraw/zinc/85/67/87/622856787.db2.gz UXBUUAXFVAKRTJ-UHFFFAOYSA-N 0 0 316.470 3.356 20 10 DGCDRN CCCCOc1ccccc1NC[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000872210491 622858169 /nfs/dbraw/zinc/85/81/69/622858169.db2.gz BMWRFVTWXGFUIW-MAUKXSAKSA-N 0 0 307.434 3.189 20 10 DGCDRN C[C@H](Nc1ccc(C(=O)N(C)C)cn1)c1ccc(N(C)C)cc1 ZINC000772295490 622881613 /nfs/dbraw/zinc/88/16/13/622881613.db2.gz GVJSNOAEGWWDJZ-ZDUSSCGKSA-N 0 0 312.417 3.023 20 10 DGCDRN CC(C)c1cc(N[C@H](C)c2ccc(N(C)C)cc2)n2ncnc2n1 ZINC000772299168 622881701 /nfs/dbraw/zinc/88/17/01/622881701.db2.gz BYPSAWNIMQEYKU-CYBMUJFWSA-N 0 0 324.432 3.487 20 10 DGCDRN CC[C@@H]1CC[C@@H](C)N1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000772454729 622899165 /nfs/dbraw/zinc/89/91/65/622899165.db2.gz JTOLPLBUTVUGPA-TZMCWYRMSA-N 0 0 307.413 3.364 20 10 DGCDRN CCc1onc(C)c1C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000772490884 622901773 /nfs/dbraw/zinc/90/17/73/622901773.db2.gz MVOMKTBFOHITGJ-UHFFFAOYSA-N 0 0 315.417 3.274 20 10 DGCDRN COc1cccc(O)c1CNc1cccc(-c2nnc(C)n2C)c1 ZINC000772952210 622956420 /nfs/dbraw/zinc/95/64/20/622956420.db2.gz IFWMQEWRRZNHBE-UHFFFAOYSA-N 0 0 324.384 3.117 20 10 DGCDRN COc1cccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1F ZINC000773011093 622965789 /nfs/dbraw/zinc/96/57/89/622965789.db2.gz VYUNAXHMZWWWCB-LBPRGKRZSA-N 0 0 316.376 3.391 20 10 DGCDRN Cc1noc(C)c1[C@@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773014283 622966936 /nfs/dbraw/zinc/96/69/36/622966936.db2.gz LGCMGAMWDBDHED-NEPJUHHUSA-N 0 0 315.417 3.338 20 10 DGCDRN Cc1noc(C)c1CCC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773013436 622967490 /nfs/dbraw/zinc/96/74/90/622967490.db2.gz YFCPWFKDBOVKMI-GFCCVEGCSA-N 0 0 315.417 3.167 20 10 DGCDRN CC(C)CCO[C@@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773017654 622968181 /nfs/dbraw/zinc/96/81/81/622968181.db2.gz IBSKEBQBNRUDDP-GJZGRUSLSA-N 0 0 306.450 3.381 20 10 DGCDRN C[C@H](NC(=O)[C@H]1OCCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000773017644 622968362 /nfs/dbraw/zinc/96/83/62/622968362.db2.gz HYNBYIFNPYZVEU-LIRRHRJNSA-N 0 0 324.424 3.244 20 10 DGCDRN CC(C)c1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)no1 ZINC000773020651 622968907 /nfs/dbraw/zinc/96/89/07/622968907.db2.gz PXRXMBNLLIAIEK-LBPRGKRZSA-N 0 0 301.390 3.355 20 10 DGCDRN C[C@H](NC(=O)Cc1ccccc1F)c1ccc(N(C)C)cc1 ZINC000773019347 622969118 /nfs/dbraw/zinc/96/91/18/622969118.db2.gz KVNAYOUPGZGWFC-ZDUSSCGKSA-N 0 0 300.377 3.312 20 10 DGCDRN Cc1nc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000773210218 622999952 /nfs/dbraw/zinc/99/99/52/622999952.db2.gz KBFCHZMNRMCAMD-LLVKDONJSA-N 0 0 318.446 3.078 20 10 DGCDRN CCCCOCCCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773215300 623001602 /nfs/dbraw/zinc/00/16/02/623001602.db2.gz PFNOZQXPSYUOCR-OAHLLOKOSA-N 0 0 321.465 3.320 20 10 DGCDRN O=[N+]([O-])c1ccc(N2CC=C(c3ccc(Cl)nc3)CC2)cn1 ZINC000773248361 623004648 /nfs/dbraw/zinc/00/46/48/623004648.db2.gz TWVGSTCVSHOTML-UHFFFAOYSA-N 0 0 316.748 3.332 20 10 DGCDRN C[C@H](NC(=O)NC1CCSCC1)c1ccc(N(C)C)cc1 ZINC000773305718 623010839 /nfs/dbraw/zinc/01/08/39/623010839.db2.gz ITMGDMLLWQGEKK-LBPRGKRZSA-N 0 0 307.463 3.008 20 10 DGCDRN CS[C@@H]1CC[C@H](NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773337562 623014266 /nfs/dbraw/zinc/01/42/66/623014266.db2.gz AZDVQCFVJUSOJN-IVMMDQJWSA-N 0 0 321.490 3.397 20 10 DGCDRN C[C@@H](NC(=O)NCCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773341496 623014953 /nfs/dbraw/zinc/01/49/53/623014953.db2.gz UXULONAOBWKLOH-SNVBAGLBSA-N 0 0 303.328 3.065 20 10 DGCDRN C[C@@H](NC(=O)NCC[C@@H]1CCCCO1)c1ccc(N(C)C)cc1 ZINC000773436839 623027123 /nfs/dbraw/zinc/02/71/23/623027123.db2.gz SEJVIXBLCSAJKX-PBHICJAKSA-N 0 0 319.449 3.072 20 10 DGCDRN CCO[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773610736 623050943 /nfs/dbraw/zinc/05/09/43/623050943.db2.gz FVMAFPHVUHQLIB-YOEHRIQHSA-N 0 0 319.449 3.024 20 10 DGCDRN CCO[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773610726 623051077 /nfs/dbraw/zinc/05/10/77/623051077.db2.gz FVMAFPHVUHQLIB-PBHICJAKSA-N 0 0 319.449 3.024 20 10 DGCDRN C[C@@H](NC(=O)N(C)Cc1cscn1)c1ccc(N(C)C)cc1 ZINC000773622787 623052392 /nfs/dbraw/zinc/05/23/92/623052392.db2.gz IAENCWZQTRKYCF-GFCCVEGCSA-N 0 0 318.446 3.112 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000773748259 623066628 /nfs/dbraw/zinc/06/66/28/623066628.db2.gz IPMWGGRSQVBHHR-MGPQQGTHSA-N 0 0 305.418 3.361 20 10 DGCDRN CCOC(=O)[C@H](C)N(Cc1ccc(N(C)CC)cc1)C1CC1 ZINC000773887126 623084962 /nfs/dbraw/zinc/08/49/62/623084962.db2.gz BIQPZBFZILEYKV-AWEZNQCLSA-N 0 0 304.434 3.059 20 10 DGCDRN CO[C@]1(C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])CCOC1 ZINC000774359429 623136429 /nfs/dbraw/zinc/13/64/29/623136429.db2.gz PLQGXMBIXLBHHL-XPTSAGLGSA-N 0 0 320.216 3.155 20 10 DGCDRN CCOC(=O)[C@@H](CC(C)C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774481216 623151018 /nfs/dbraw/zinc/15/10/18/623151018.db2.gz HQWQFFDABNHYEO-WMLDXEAASA-N 0 0 306.450 3.381 20 10 DGCDRN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)c1nc(C2CC2)no1 ZINC000774484997 623151340 /nfs/dbraw/zinc/15/13/40/623151340.db2.gz UHXWWHRAEBGKSI-VXGBXAGGSA-N 0 0 300.406 3.425 20 10 DGCDRN Cc1cc(N[C@H](C)c2cc(F)ccc2O)cc(OCCO)c1 ZINC000774509327 623153444 /nfs/dbraw/zinc/15/34/44/623153444.db2.gz OIDVIHBCRJXJFS-GFCCVEGCSA-N 0 0 305.349 3.384 20 10 DGCDRN COC(=O)C[C@H](C)OC(=O)c1sccc1-n1c(C)ccc1C ZINC000774509568 623153729 /nfs/dbraw/zinc/15/37/29/623153729.db2.gz KNTXCOFZBSTHME-LBPRGKRZSA-N 0 0 321.398 3.264 20 10 DGCDRN COc1cccc(CNc2ncncc2-c2ccccc2)c1O ZINC000774680526 623175255 /nfs/dbraw/zinc/17/52/55/623175255.db2.gz URNWGNKYZOOMSU-UHFFFAOYSA-N 0 0 307.353 3.470 20 10 DGCDRN COCc1cccc(CN2CCOc3cc(N(C)C)ccc32)c1 ZINC000774754635 623187262 /nfs/dbraw/zinc/18/72/62/623187262.db2.gz VWRSUJCOZQIFSS-UHFFFAOYSA-N 0 0 312.413 3.298 20 10 DGCDRN COc1cc(Cl)c(C=C2SC(=S)NC2=O)cc1Cl ZINC000124651207 623211617 /nfs/dbraw/zinc/21/16/17/623211617.db2.gz SVGQCJKUJZRYCN-YCRREMRBSA-N 0 0 320.222 3.491 20 10 DGCDRN CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774964001 623211955 /nfs/dbraw/zinc/21/19/55/623211955.db2.gz MOWITFDTXHGWTB-WCQYABFASA-N 0 0 308.378 3.367 20 10 DGCDRN COc1c([O-])c(C[NH2+]C[C@@H]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000774972867 623212789 /nfs/dbraw/zinc/21/27/89/623212789.db2.gz DKJZKVSJNQYGLJ-NWDGAFQWSA-N 0 0 308.378 3.225 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000775014827 623216519 /nfs/dbraw/zinc/21/65/19/623216519.db2.gz QHWLAWUHTXYGAH-OUCADQQQSA-N 0 0 320.389 3.367 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@@H]2C[C@@H]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000775049121 623220625 /nfs/dbraw/zinc/22/06/25/623220625.db2.gz SNWNIHATRXKQIL-ZIAGYGMSSA-N 0 0 320.389 3.367 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@H]2C[C@H]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000775049107 623220670 /nfs/dbraw/zinc/22/06/70/623220670.db2.gz SNWNIHATRXKQIL-KBPBESRZSA-N 0 0 320.389 3.367 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000775059032 623223799 /nfs/dbraw/zinc/22/37/99/623223799.db2.gz HIUFGHFKWORFNK-NQBHXWOUSA-N 0 0 308.378 3.223 20 10 DGCDRN C[C@@H]1CCC[C@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000873976318 623225930 /nfs/dbraw/zinc/22/59/30/623225930.db2.gz HLLNEANNTDPYIN-RISCZKNCSA-N 0 0 302.378 3.500 20 10 DGCDRN COc1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)nn1C ZINC000775092694 623230753 /nfs/dbraw/zinc/23/07/53/623230753.db2.gz ILZWZYPENVEWSG-UHFFFAOYSA-N 0 0 324.384 3.089 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2CCC[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000775096501 623230790 /nfs/dbraw/zinc/23/07/90/623230790.db2.gz CQQQFXUDYJTSIM-LBPRGKRZSA-N 0 0 308.378 3.177 20 10 DGCDRN COc1c([O-])c(C[NH2+][C@H]2CCC[C@@H](C)CC2)ccc1[N+](=O)[O-] ZINC000775106818 623232431 /nfs/dbraw/zinc/23/24/31/623232431.db2.gz KHWKKYZRDXMAEG-YPMHNXCESA-N 0 0 308.378 3.367 20 10 DGCDRN Cc1cccc(C[NH2+]Cc2cccc(Br)c2[O-])c1O ZINC000775154301 623235688 /nfs/dbraw/zinc/23/56/88/623235688.db2.gz ZFWRJKNKCKMONS-UHFFFAOYSA-N 0 0 322.202 3.459 20 10 DGCDRN Oc1cccc(Cl)c1CNc1ncn(-c2ccccc2)n1 ZINC000775175639 623237805 /nfs/dbraw/zinc/23/78/05/623237805.db2.gz JZNLOZSOAOZEBK-UHFFFAOYSA-N 0 0 300.749 3.238 20 10 DGCDRN Cn1ccnc1[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000775190233 623240295 /nfs/dbraw/zinc/24/02/95/623240295.db2.gz OIBOWUHREBIUSD-GFCCVEGCSA-N 0 0 305.809 3.159 20 10 DGCDRN CC1CCC(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000874160804 623245434 /nfs/dbraw/zinc/24/54/34/623245434.db2.gz HWMNPIRNKABBJH-UHFFFAOYSA-N 0 0 302.378 3.405 20 10 DGCDRN CC(C)[C@H](C)N(C(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC000874178004 623246700 /nfs/dbraw/zinc/24/67/00/623246700.db2.gz KHRDGLRTOVSWKW-NSHDSACASA-N 0 0 302.378 3.498 20 10 DGCDRN CC(C)(C)[C@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874381700 623264989 /nfs/dbraw/zinc/26/49/89/623264989.db2.gz VJGOGLDKJWCOMY-CYBMUJFWSA-N 0 0 302.378 3.500 20 10 DGCDRN C[C@H](NC(=O)/C=C/c1cncc(F)c1)c1ccc(N(C)C)cc1 ZINC000775402757 623269663 /nfs/dbraw/zinc/26/96/63/623269663.db2.gz CJCJEEPRZJMHRF-FAFAAHBOSA-N 0 0 313.376 3.177 20 10 DGCDRN C[C@H](NC(=O)c1csc(C=O)c1)c1ccc(N(C)C)cc1 ZINC000775406882 623270347 /nfs/dbraw/zinc/27/03/47/623270347.db2.gz PRUHAPIAEIILBU-NSHDSACASA-N 0 0 302.399 3.118 20 10 DGCDRN C[C@H](NC(=O)c1cccc2n[nH]cc21)c1ccc(N(C)C)cc1 ZINC000775411999 623271657 /nfs/dbraw/zinc/27/16/57/623271657.db2.gz TXKCEQANOCATPV-LBPRGKRZSA-N 0 0 308.385 3.120 20 10 DGCDRN CCNC(=O)[C@@H](C)[NH2+][C@@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775485225 623278799 /nfs/dbraw/zinc/27/87/99/623278799.db2.gz QRSIGUQQYKBZQM-KCJUWKMLSA-N 0 0 319.232 3.264 20 10 DGCDRN CC[C@@H]([NH2+]C[C@@H]1COCCO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775490325 623279712 /nfs/dbraw/zinc/27/97/12/623279712.db2.gz BYHFOBCDKFICFZ-BXKDBHETSA-N 0 0 320.216 3.155 20 10 DGCDRN CC[C@H]([NH2+][C@H]1CCN(C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775498448 623281094 /nfs/dbraw/zinc/28/10/94/623281094.db2.gz KFJRHAHIUBKLOO-CABZTGNLSA-N 0 0 303.233 3.444 20 10 DGCDRN CCc1cc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)no1 ZINC000775636896 623300334 /nfs/dbraw/zinc/30/03/34/623300334.db2.gz XVSRXMCGEPLYGZ-LLVKDONJSA-N 0 0 302.378 3.186 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000775658741 623306595 /nfs/dbraw/zinc/30/65/95/623306595.db2.gz PUDSANLZFJWXAU-SNVBAGLBSA-N 0 0 309.772 3.287 20 10 DGCDRN Cc1cc(Cl)cc(CN2CCO[C@H](C(F)(F)F)C2)c1O ZINC000775715508 623318754 /nfs/dbraw/zinc/31/87/54/623318754.db2.gz ZJUIZNBIUHCCCD-NSHDSACASA-N 0 0 309.715 3.117 20 10 DGCDRN COc1ccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000775750640 623325547 /nfs/dbraw/zinc/32/55/47/623325547.db2.gz KGHSKAPIOWFLIP-GFCCVEGCSA-N 0 0 314.389 3.039 20 10 DGCDRN CCN(C(=O)/C=C/c1cnc(OC)nc1)c1ccc(Cl)cc1 ZINC000775782158 623331179 /nfs/dbraw/zinc/33/11/79/623331179.db2.gz CSBOBHJLROFWCT-RUDMXATFSA-N 0 0 317.776 3.205 20 10 DGCDRN CCCCN(C(=O)/C=C\c1cnc(OC)nc1)c1ccccc1 ZINC000775868826 623343623 /nfs/dbraw/zinc/34/36/23/623343623.db2.gz DZAOGWTYDZHTAE-KHPPLWFESA-N 0 0 311.385 3.332 20 10 DGCDRN COc1cccc(CNC(=O)Nc2cccc3cc[nH]c32)c1O ZINC000776069649 623371232 /nfs/dbraw/zinc/37/12/32/623371232.db2.gz XRRSGHPORSJJOJ-UHFFFAOYSA-N 0 0 311.341 3.204 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000776174662 623390429 /nfs/dbraw/zinc/39/04/29/623390429.db2.gz RHZXUOAEPAVZQL-UHFFFAOYSA-N 0 0 322.758 3.162 20 10 DGCDRN CO[C@H](C)CN(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000776237582 623400833 /nfs/dbraw/zinc/40/08/33/623400833.db2.gz CFQYQBUFBWKKNL-HUUCEWRRSA-N 0 0 321.465 3.269 20 10 DGCDRN CN1Cc2ccccc2[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000776254413 623401537 /nfs/dbraw/zinc/40/15/37/623401537.db2.gz UZXXDLAYVWWIHG-INIZCTEOSA-N 0 0 320.795 3.461 20 10 DGCDRN Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cccc(O)c2O)cc1C ZINC000776278662 623405682 /nfs/dbraw/zinc/40/56/82/623405682.db2.gz DAQHKMMQRZGUFD-GFCCVEGCSA-N 0 0 314.337 3.143 20 10 DGCDRN Cc1ccc(C(=O)[C@H](C)OC(=O)c2cccc(O)c2O)cc1C ZINC000776278663 623406232 /nfs/dbraw/zinc/40/62/32/623406232.db2.gz DAQHKMMQRZGUFD-LBPRGKRZSA-N 0 0 314.337 3.143 20 10 DGCDRN O=C(NCc1ccc(Cl)cc1Cl)c1cccc(O)c1O ZINC000776312635 623410635 /nfs/dbraw/zinc/41/06/35/623410635.db2.gz JOXUAVDTLPXPTO-UHFFFAOYSA-N 0 0 312.152 3.335 20 10 DGCDRN COc1ccc(N2CCC(NC(=O)[C@@H]3CC[C@@H](C)C3)CC2)cc1 ZINC000776318201 623411635 /nfs/dbraw/zinc/41/16/35/623411635.db2.gz ZQIHELBTGGULPK-HUUCEWRRSA-N 0 0 316.445 3.216 20 10 DGCDRN O=C(Nc1ncc(-c2ccccc2)s1)c1cccc(O)c1O ZINC000776331390 623412900 /nfs/dbraw/zinc/41/29/00/623412900.db2.gz VHKVWRSZSCVOEZ-UHFFFAOYSA-N 0 0 312.350 3.474 20 10 DGCDRN CC(C)N(C)c1ccc(NC(=O)c2cccc(O)c2O)cc1F ZINC000776341405 623414166 /nfs/dbraw/zinc/41/41/66/623414166.db2.gz QGLTWFUJBMKHMU-UHFFFAOYSA-N 0 0 318.348 3.334 20 10 DGCDRN C[C@H]1C[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)CCO1 ZINC000776342431 623414192 /nfs/dbraw/zinc/41/41/92/623414192.db2.gz GPRNRJWSGKQXHA-DOTOQJQBSA-N 0 0 316.445 3.108 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1CCc2ccccc2C1)c1ccccc1O ZINC000875192300 623425916 /nfs/dbraw/zinc/42/59/16/623425916.db2.gz QKUREHONWMASEU-CZUORRHYSA-N 0 0 310.397 3.310 20 10 DGCDRN C[C@@H](O)c1ccc(CNC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000875187702 623425918 /nfs/dbraw/zinc/42/59/18/623425918.db2.gz OPBMZJWBJIVMJA-QWHCGFSZSA-N 0 0 314.385 3.006 20 10 DGCDRN CCOCCCC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000125345912 623431790 /nfs/dbraw/zinc/43/17/90/623431790.db2.gz HIOPGCFHGLXROC-UHFFFAOYSA-N 0 0 317.385 3.331 20 10 DGCDRN Cc1ccccc1CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000125356052 623432297 /nfs/dbraw/zinc/43/22/97/623432297.db2.gz QASGLAIBVGHXHL-UHFFFAOYSA-N 0 0 315.392 3.200 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@H](C)[C@@]23C[C@@H]2CCCC3)c1 ZINC000875289223 623434476 /nfs/dbraw/zinc/43/44/76/623434476.db2.gz ASDIAKWQMDCWMA-UVBSCNOISA-N 0 0 318.417 3.169 20 10 DGCDRN C[C@H](CNC(=O)N1Cc2cccc(O)c2C1)Cc1cccs1 ZINC000875314105 623436777 /nfs/dbraw/zinc/43/67/77/623436777.db2.gz WPDIDKGHGQWHQL-LBPRGKRZSA-N 0 0 316.426 3.358 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC2CCC(OC(C)C)CC2)c1 ZINC000875413252 623447722 /nfs/dbraw/zinc/44/77/22/623447722.db2.gz OAXCYESICZBDIW-UHFFFAOYSA-N 0 0 320.433 3.236 20 10 DGCDRN CC(C)CSCCCNC(=O)N1Cc2cccc(O)c2C1 ZINC000875426485 623449389 /nfs/dbraw/zinc/44/93/89/623449389.db2.gz MSMUJKWIOBYUAH-UHFFFAOYSA-N 0 0 308.447 3.197 20 10 DGCDRN CC(C)(NC(=O)c1cccc(O)c1O)c1cccc(Cl)c1 ZINC000776657710 623449596 /nfs/dbraw/zinc/44/95/96/623449596.db2.gz HEYAWHQRBKVJEE-UHFFFAOYSA-N 0 0 305.761 3.416 20 10 DGCDRN CCc1cccc(CC)c1S(=O)(=O)Nc1ccc(O)cc1 ZINC000776745308 623458977 /nfs/dbraw/zinc/45/89/77/623458977.db2.gz JJGXJHGNKDQYKT-UHFFFAOYSA-N 0 0 305.399 3.318 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H](CC(F)(F)F)C(C)C)c1 ZINC000875520402 623459441 /nfs/dbraw/zinc/45/94/41/623459441.db2.gz HGSJYRDWQJDSEA-LBPRGKRZSA-N 0 0 318.339 3.477 20 10 DGCDRN C[C@@H]1CC(CCNC(=O)N2Cc3cccc(O)c3C2)C[C@@H](C)O1 ZINC000875567609 623466314 /nfs/dbraw/zinc/46/63/14/623466314.db2.gz KASGEAKZSOVAGN-CHWSQXEVSA-N 0 0 318.417 3.011 20 10 DGCDRN O=C(N[C@H](c1ccccn1)C1CCC1)N1Cc2cccc(O)c2C1 ZINC000875811604 623495841 /nfs/dbraw/zinc/49/58/41/623495841.db2.gz KBAYFFGIKKSJJW-SFHVURJKSA-N 0 0 323.396 3.354 20 10 DGCDRN CCC(=O)N1CCc2ccc(NC(=O)C3=CC(=O)CS3)cc21 ZINC000888683147 623507428 /nfs/dbraw/zinc/50/74/28/623507428.db2.gz ZKAMWUPGNANBGN-UHFFFAOYSA-N 0 0 316.382 3.005 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCC[C@H]1CCSC1 ZINC000875938660 623511184 /nfs/dbraw/zinc/51/11/84/623511184.db2.gz KHAWPUKAXUCDST-AWEZNQCLSA-N 0 0 322.474 3.457 20 10 DGCDRN COc1cccc(CNC(=O)NCc2csc(C)c2C)c1O ZINC000875981247 623518876 /nfs/dbraw/zinc/51/88/76/623518876.db2.gz KXRNPGUHLIYISE-UHFFFAOYSA-N 0 0 320.414 3.079 20 10 DGCDRN CCC[C@@]1(C)NC(=O)N(Cc2ccc(N(CC)CC)cc2)C1=O ZINC000777599128 623547490 /nfs/dbraw/zinc/54/74/90/623547490.db2.gz DURXNXQGTAVZRY-GOSISDBHSA-N 0 0 317.433 3.143 20 10 DGCDRN COc1cccc(CNc2cccc3c2OCC[C@@H]3OC)c1O ZINC000790485701 625660209 /nfs/dbraw/zinc/66/02/09/625660209.db2.gz JBTXGXPIYRYFAU-HNNXBMFYSA-N 0 0 315.369 3.483 20 10 DGCDRN COc1cc(N(C)Cc2ccc(Cl)cn2)cc(OC)c1OC ZINC000778213519 623626109 /nfs/dbraw/zinc/62/61/09/623626109.db2.gz DQEJQZYNQHKIHM-UHFFFAOYSA-N 0 0 322.792 3.397 20 10 DGCDRN C[C@H](CCc1ccc(F)cc1)C(=O)NCCc1ccc(N)cc1 ZINC000876528768 623634487 /nfs/dbraw/zinc/63/44/87/623634487.db2.gz YQYVVPMRDJTXLF-CQSZACIVSA-N 0 0 314.404 3.336 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H](F)Cc2ccccc2)c1 ZINC000778390171 623651192 /nfs/dbraw/zinc/65/11/92/623651192.db2.gz LOYVJUAZTNXWMX-BLLLJJGKSA-N 0 0 317.360 3.159 20 10 DGCDRN O=C(NCc1ccccc1N1CCCCC1)C1=CC(=O)CS1 ZINC000778515867 623662975 /nfs/dbraw/zinc/66/29/75/623662975.db2.gz UBPKCDPVZUABMC-UHFFFAOYSA-N 0 0 316.426 3.374 20 10 DGCDRN C[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H]1F ZINC000778620561 623677590 /nfs/dbraw/zinc/67/75/90/623677590.db2.gz NPTBARNFXOPPNU-YOEHRIQHSA-N 0 0 319.424 3.176 20 10 DGCDRN [O-]c1c(C[N@@H+](CCO)[C@H]2CCc3ccccc32)ccc(F)c1F ZINC000876737381 623692051 /nfs/dbraw/zinc/69/20/51/623692051.db2.gz SKYZZMIMPCUHGQ-INIZCTEOSA-N 0 0 319.351 3.152 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1occc1-c1ccccc1 ZINC000778923165 623711682 /nfs/dbraw/zinc/71/16/82/623711682.db2.gz LSGKMOOUYLWGMH-UHFFFAOYSA-N 0 0 309.321 3.288 20 10 DGCDRN CO[C@@H](C)C(=O)Nc1cccc(NCc2c(C)cccc2O)c1 ZINC000876823601 623719303 /nfs/dbraw/zinc/71/93/03/623719303.db2.gz NTMGOYXKOIXRTI-ZDUSSCGKSA-N 0 0 314.385 3.286 20 10 DGCDRN O=C(Nc1cccc(N2CCCCC2)c1)c1cccc(O)c1O ZINC000790571163 625671646 /nfs/dbraw/zinc/67/16/46/625671646.db2.gz CTOLZLRQIZVSKF-UHFFFAOYSA-N 0 0 312.369 3.340 20 10 DGCDRN O=C(Nc1ccccc1)C1([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000779226482 623745016 /nfs/dbraw/zinc/74/50/16/623745016.db2.gz SCHDANHSCFELDH-UHFFFAOYSA-N 0 0 316.788 3.307 20 10 DGCDRN CCOC[C@H](C)NC(=O)c1sccc1-n1c(C)ccc1C ZINC000779252443 623747386 /nfs/dbraw/zinc/74/73/86/623747386.db2.gz IPMJPNNTQOEUFD-NSHDSACASA-N 0 0 306.431 3.310 20 10 DGCDRN CC(C)Oc1ccc(C[NH2+]Cc2ccc(F)c(F)c2[O-])cn1 ZINC000876938641 623749739 /nfs/dbraw/zinc/74/97/39/623749739.db2.gz LGMKQOXYOFIXHZ-UHFFFAOYSA-N 0 0 308.328 3.142 20 10 DGCDRN [O-]c1c(C[NH2+]C[C@@H]2CCOc3ccccc32)ccc(F)c1F ZINC000877024710 623768855 /nfs/dbraw/zinc/76/88/55/623768855.db2.gz MFIXZAKOPGECSO-NSHDSACASA-N 0 0 305.324 3.326 20 10 DGCDRN Cc1ccc([C@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)s1 ZINC000779501215 623775188 /nfs/dbraw/zinc/77/51/88/623775188.db2.gz VANIYKSBIUTLOF-OFSNVTPPSA-N 0 0 303.383 3.358 20 10 DGCDRN O=C(Nc1ccc(OC2CCCC2)nc1)c1cccc(O)c1O ZINC000790629990 625680037 /nfs/dbraw/zinc/68/00/37/625680037.db2.gz QZQMJIWSPQXMCK-UHFFFAOYSA-N 0 0 314.341 3.067 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CSc2ccccc21 ZINC000779517444 623776882 /nfs/dbraw/zinc/77/68/82/623776882.db2.gz BDNWEWGZKDKFAN-STMXVASLSA-N 0 0 313.378 3.074 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000779525694 623777651 /nfs/dbraw/zinc/77/76/51/623777651.db2.gz QUQKZAIUPGKNOS-MERXGUHPSA-N 0 0 301.386 3.196 20 10 DGCDRN CCC(CC)[C@@H](CCNC(=O)/C=C\c1ccc(O)c(O)c1)OC ZINC000779535975 623778115 /nfs/dbraw/zinc/77/81/15/623778115.db2.gz GHGOJVLBGUQDIK-NBEHIINDSA-N 0 0 321.417 3.069 20 10 DGCDRN COc1ccc(C(=O)N(C)c2ccc(N)cc2)c(OC(C)C)c1 ZINC000877075546 623785221 /nfs/dbraw/zinc/78/52/21/623785221.db2.gz FYQXGZGVCBWJDW-UHFFFAOYSA-N 0 0 314.385 3.341 20 10 DGCDRN C[C@H](CC(=O)N(C)c1ccc(N)cc1)N1CCc2ccccc21 ZINC000877074660 623785234 /nfs/dbraw/zinc/78/52/34/623785234.db2.gz OKEQFOGQYJTRBU-CQSZACIVSA-N 0 0 309.413 3.073 20 10 DGCDRN CCO[C@H](C)c1ncc(C(=O)N(C)c2ccc(N)cc2)s1 ZINC000877077773 623786078 /nfs/dbraw/zinc/78/60/78/623786078.db2.gz UGJDLPYYTOMRTM-SNVBAGLBSA-N 0 0 305.403 3.099 20 10 DGCDRN COc1ccc2c(c1)CCCCN2C(=O)/C=C\c1cncc(O)c1 ZINC000779675640 623786295 /nfs/dbraw/zinc/78/62/95/623786295.db2.gz ZRMOGXLBCIBRPD-YVMONPNESA-N 0 0 324.380 3.179 20 10 DGCDRN COc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877093027 623790051 /nfs/dbraw/zinc/79/00/51/623790051.db2.gz DBAXBTJUZLHIHM-CQSZACIVSA-N 0 0 305.324 3.456 20 10 DGCDRN O=[N+]([O-])c1c(F)cccc1NNC(=S)Nc1ccccc1 ZINC000790605870 625676940 /nfs/dbraw/zinc/67/69/40/625676940.db2.gz ABVOYAHKXBQICE-UHFFFAOYSA-N 0 0 306.322 3.047 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ncc(C)cc2C)cc1 ZINC000779856322 623822683 /nfs/dbraw/zinc/82/26/83/623822683.db2.gz RGTBXXCHFKVKMZ-UHFFFAOYSA-N 0 0 311.429 3.475 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)ccc(F)c1F ZINC000877401206 623869362 /nfs/dbraw/zinc/86/93/62/623869362.db2.gz ZQAIOFLZHYUMPC-GOSISDBHSA-N 0 0 317.335 3.302 20 10 DGCDRN Cc1ccc(CN2CCSC[C@H]2c2nccs2)c(O)c1 ZINC000877404351 623870901 /nfs/dbraw/zinc/87/09/01/623870901.db2.gz CIAZEIVQNWKWFX-ZDUSSCGKSA-N 0 0 306.456 3.447 20 10 DGCDRN COC(=O)[C@H](NCc1ccc(C)cc1O)c1cc(C)cc(C)c1 ZINC000877426560 623875992 /nfs/dbraw/zinc/87/59/92/623875992.db2.gz BFWHJNSQNWILEC-GOSISDBHSA-N 0 0 313.397 3.321 20 10 DGCDRN C[C@@](O)(CC[NH2+]Cc1ccc(F)c(F)c1[O-])c1ccccc1 ZINC000877440767 623883400 /nfs/dbraw/zinc/88/34/00/623883400.db2.gz KMHDYBSYNZXMQV-QGZVFWFLSA-N 0 0 307.340 3.058 20 10 DGCDRN CC[C@H](NCc1ccc(N2CCC(O)CC2)cc1)C(F)(F)F ZINC000877467184 623895967 /nfs/dbraw/zinc/89/59/67/623895967.db2.gz CGFJAAOILFIBEP-HNNXBMFYSA-N 0 0 316.367 3.078 20 10 DGCDRN CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])[nH]1 ZINC000877475120 623899276 /nfs/dbraw/zinc/89/92/76/623899276.db2.gz MBJWBIMVHKMFAO-IUCAKERBSA-N 0 0 310.348 3.153 20 10 DGCDRN Cc1ccc(CNc2ccc(C(N)=O)c(OC(C)C)c2)c(O)c1 ZINC000877496288 623912222 /nfs/dbraw/zinc/91/22/22/623912222.db2.gz PPIDDGQFFZSNGW-UHFFFAOYSA-N 0 0 314.385 3.199 20 10 DGCDRN Cc1cc(C)cc([C@H](O)C[NH2+]Cc2ccc(F)c(F)c2[O-])c1 ZINC000877503280 623914871 /nfs/dbraw/zinc/91/48/71/623914871.db2.gz HWGGIHMUVCNHGM-OAHLLOKOSA-N 0 0 307.340 3.110 20 10 DGCDRN Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2ccc(F)c(F)c2[O-])c1 ZINC000877503279 623915351 /nfs/dbraw/zinc/91/53/51/623915351.db2.gz HWGGIHMUVCNHGM-HNNXBMFYSA-N 0 0 307.340 3.110 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCC2CC(C)(C)C2)cc1F ZINC000780358715 623916789 /nfs/dbraw/zinc/91/67/89/623916789.db2.gz FCIBNFKOVXCZAS-UHFFFAOYSA-N 0 0 307.413 3.127 20 10 DGCDRN CC1(C)CC(CNC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000780483946 623937931 /nfs/dbraw/zinc/93/79/31/623937931.db2.gz UNFVCFZREWEKEM-UHFFFAOYSA-N 0 0 313.445 3.298 20 10 DGCDRN CC[C@@H](COCC(F)(F)F)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877559419 623941615 /nfs/dbraw/zinc/94/16/15/623941615.db2.gz MRYBDYJVJYBCAS-VIFPVBQESA-N 0 0 313.266 3.118 20 10 DGCDRN [O-]c1c(C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)ccc(F)c1F ZINC000877568816 623946314 /nfs/dbraw/zinc/94/63/14/623946314.db2.gz BRDVNZQCTAFWMH-DZGCQCFKSA-N 0 0 320.339 3.075 20 10 DGCDRN Cc1ccc(CN(C)Cc2csc(C(C)(C)O)n2)c(O)c1 ZINC000877572672 623948636 /nfs/dbraw/zinc/94/86/36/623948636.db2.gz HGKXKTKXSWVNAX-UHFFFAOYSA-N 0 0 306.431 3.017 20 10 DGCDRN CC(C)[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])C1(CO)CC=CC1 ZINC000877607755 623959899 /nfs/dbraw/zinc/95/98/99/623959899.db2.gz KTZODKLKUYBSFZ-INIZCTEOSA-N 0 0 311.372 3.113 20 10 DGCDRN COc1cc(C)ccc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000780718965 623972077 /nfs/dbraw/zinc/97/20/77/623972077.db2.gz BIIGMRHDVBGLRB-UHFFFAOYSA-N 0 0 312.413 3.308 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC=CO1 ZINC000780731966 623974300 /nfs/dbraw/zinc/97/43/00/623974300.db2.gz CSPUPEFINLFJMV-HNNXBMFYSA-N 0 0 304.390 3.007 20 10 DGCDRN COCCOCc1ccc(NCc2ccc(C)cc2O)cc1 ZINC000877658607 623980561 /nfs/dbraw/zinc/98/05/61/623980561.db2.gz UXVJINOQIPSDSY-UHFFFAOYSA-N 0 0 301.386 3.476 20 10 DGCDRN C[C@@H]1CC[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000780784144 623983966 /nfs/dbraw/zinc/98/39/66/623983966.db2.gz JRXHNJYXHWQNKT-OCCSQVGLSA-N 0 0 302.418 3.259 20 10 DGCDRN COC(=O)[C@@](C)(NCc1ccc(C)cc1O)c1ccc(F)cc1 ZINC000877674052 623986678 /nfs/dbraw/zinc/98/66/78/623986678.db2.gz GNSHIOJBAAEVBS-SFHVURJKSA-N 0 0 317.360 3.018 20 10 DGCDRN COC(=O)[C@](C)(NCc1cc(C)ccc1O)c1ccc(F)cc1 ZINC000877676153 623988257 /nfs/dbraw/zinc/98/82/57/623988257.db2.gz RPNDDKGEHKOGGB-GOSISDBHSA-N 0 0 317.360 3.018 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)[C@@H]1CCCOC1 ZINC000780861659 623990445 /nfs/dbraw/zinc/99/04/45/623990445.db2.gz UFSMYTKYDOVCSI-GOEBONIOSA-N 0 0 320.433 3.129 20 10 DGCDRN Cc1ccc(C(=O)N2CC[C@@H]2c2cccc(F)c2)c(O)c1O ZINC000780953223 624002687 /nfs/dbraw/zinc/00/26/87/624002687.db2.gz TVCHXIPPBCEINS-CQSZACIVSA-N 0 0 301.317 3.133 20 10 DGCDRN Cc1ccc(C(=O)N2CCC(C3CCCC3)CC2)c(O)c1O ZINC000780953561 624002845 /nfs/dbraw/zinc/00/28/45/624002845.db2.gz GWGZYLTZHBVTSU-UHFFFAOYSA-N 0 0 303.402 3.449 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CCC12CCOCC2 ZINC000877727614 624006195 /nfs/dbraw/zinc/00/61/95/624006195.db2.gz CYPZENUPWXPRRV-GFCCVEGCSA-N 0 0 313.800 3.481 20 10 DGCDRN CC(C)(O)C1CC[NH+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000877753423 624019703 /nfs/dbraw/zinc/01/97/03/624019703.db2.gz DDTZLPLFHAGMFU-UHFFFAOYSA-N 0 0 301.789 3.168 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@]2(C)CCCOC2)cc1F ZINC000781335842 624056365 /nfs/dbraw/zinc/05/63/65/624056365.db2.gz JWISSEDDCRPQAM-GOSISDBHSA-N 0 0 322.424 3.105 20 10 DGCDRN CC[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@H](O)c1ccccc1 ZINC000877832536 624061669 /nfs/dbraw/zinc/06/16/69/624061669.db2.gz NDQMUUKONVACEL-GOEBONIOSA-N 0 0 307.340 3.272 20 10 DGCDRN CC(C)[C@H](NC(=O)c1cccc(O)c1O)c1ccc(F)cc1 ZINC000790778686 625696293 /nfs/dbraw/zinc/69/62/93/625696293.db2.gz KETNZPHJFBSSDJ-HNNXBMFYSA-N 0 0 303.333 3.364 20 10 DGCDRN CCC[C@](C)(CO)[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000781631408 624108871 /nfs/dbraw/zinc/10/88/71/624108871.db2.gz JQSLDCUDKKYAGU-CQSZACIVSA-N 0 0 316.239 3.104 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+]CCOC(C)(C)C)c1 ZINC000781627531 624109987 /nfs/dbraw/zinc/10/99/87/624109987.db2.gz AFAHRRMNPPANHW-UHFFFAOYSA-N 0 0 316.239 3.368 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@]2(C)CCCO2)c1 ZINC000781631891 624110140 /nfs/dbraw/zinc/11/01/40/624110140.db2.gz CWWFIGJIBRQYGP-AWEZNQCLSA-N 0 0 314.223 3.122 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CCO[C@H](C)C2)c1 ZINC000781636938 624111745 /nfs/dbraw/zinc/11/17/45/624111745.db2.gz UWNBZISDQLFEJY-PWSUYJOCSA-N 0 0 314.223 3.120 20 10 DGCDRN Cc1cc(Br)c(O)c(CN2C[C@@H](C)OC[C@@H]2C)c1 ZINC000781896040 624166854 /nfs/dbraw/zinc/16/68/54/624166854.db2.gz GMJHFZOKHPYCSJ-WDEREUQCSA-N 0 0 314.223 3.072 20 10 DGCDRN CCOc1ccc(N(C)C[C@H]2CCC3(CCOCC3)CO2)cc1 ZINC000878126227 624179818 /nfs/dbraw/zinc/17/98/18/624179818.db2.gz VDOLXSGJLGOZOR-GOSISDBHSA-N 0 0 319.445 3.497 20 10 DGCDRN CC[C@@H]1C[C@@H](CC(=O)N[C@H](C)c2cc(OC)ccc2O)CCO1 ZINC000782016187 624187999 /nfs/dbraw/zinc/18/79/99/624187999.db2.gz YYENGCXVCGAFEH-HZSPNIEDSA-N 0 0 321.417 3.173 20 10 DGCDRN c1cc(N2CCOCC2)ccc1CNc1cnc2c(c1)CCCC2 ZINC000782216436 624222432 /nfs/dbraw/zinc/22/24/32/624222432.db2.gz AMQFFXIBJWMVCR-UHFFFAOYSA-N 0 0 323.440 3.409 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cnc(C(C)C)s2)c1 ZINC000127038710 624239294 /nfs/dbraw/zinc/23/92/94/624239294.db2.gz ZQZYIMDUURDZNJ-JTQLQIEISA-N 0 0 320.414 3.472 20 10 DGCDRN CSCC[C@@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000127239906 624320464 /nfs/dbraw/zinc/32/04/64/624320464.db2.gz CDGKFELYTAUXNU-CQSZACIVSA-N 0 0 319.474 3.004 20 10 DGCDRN Oc1cccc(Cl)c1CNc1ccc(-n2ccnc2)nc1 ZINC000127274782 624334944 /nfs/dbraw/zinc/33/49/44/624334944.db2.gz OXOLAHXPPXXGCF-UHFFFAOYSA-N 0 0 300.749 3.238 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2ccnc(C3CC3)c2)cc1 ZINC000783382165 624343099 /nfs/dbraw/zinc/34/30/99/624343099.db2.gz VVTOAAZTIAJWBA-UHFFFAOYSA-N 0 0 309.413 3.297 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)CC[C@H]2CC(C)(C)CO2)c1 ZINC000878730598 624350039 /nfs/dbraw/zinc/35/00/39/624350039.db2.gz MOAFIKVQUZASHV-OCCSQVGLSA-N 0 0 321.417 3.173 20 10 DGCDRN CC(C)Cn1ncc(NC(=O)c2cccc(O)c2O)c1C(C)C ZINC000790911421 625714905 /nfs/dbraw/zinc/71/49/05/625714905.db2.gz ITZRWLWBPYHLHS-UHFFFAOYSA-N 0 0 317.389 3.326 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H](O)C2CCCCC2)cc1 ZINC000783563104 624366369 /nfs/dbraw/zinc/36/63/69/624366369.db2.gz QPRYADQOMBJRSN-GOSISDBHSA-N 0 0 318.461 3.090 20 10 DGCDRN CCOCOc1ccc(CN(C)c2ccc3c(c2)OCO3)cc1 ZINC000783590338 624371632 /nfs/dbraw/zinc/37/16/32/624371632.db2.gz CIEZYKFKNOZCCN-UHFFFAOYSA-N 0 0 315.369 3.425 20 10 DGCDRN O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1Cl ZINC000783608656 624374093 /nfs/dbraw/zinc/37/40/93/624374093.db2.gz JZJSLLZLQNYBKY-UHFFFAOYSA-N 0 0 318.760 3.473 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)C[C@H](C)O)c(C)n1-c1ccc(F)cc1 ZINC000783631580 624377262 /nfs/dbraw/zinc/37/72/62/624377262.db2.gz PYPLRKMJNFWPQV-AAEUAGOBSA-N 0 0 318.392 3.122 20 10 DGCDRN Cc1oc2ccccc2c1CCNC(=O)c1cccc(O)c1O ZINC000790939603 625718817 /nfs/dbraw/zinc/71/88/17/625718817.db2.gz VLHMRIJWSYIEKT-UHFFFAOYSA-N 0 0 311.337 3.125 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1c[nH]cc1C1CC1 ZINC000878986857 624401919 /nfs/dbraw/zinc/40/19/19/624401919.db2.gz YUAYFUAEGQXJCU-UHFFFAOYSA-N 0 0 310.397 3.407 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cccnc2C2CC2)cc1F ZINC000783943584 624411317 /nfs/dbraw/zinc/41/13/17/624411317.db2.gz YDMZJPBSWBNWID-UHFFFAOYSA-N 0 0 313.376 3.094 20 10 DGCDRN C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000790934284 625718005 /nfs/dbraw/zinc/71/80/05/625718005.db2.gz JTQPVNNUOFFOIO-GHMZBOCLSA-N 0 0 301.789 3.310 20 10 DGCDRN COc1cccc([C@H](C)OC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000784285800 624480676 /nfs/dbraw/zinc/48/06/76/624480676.db2.gz DSHXJAMGVRABTD-CRALRDPISA-N 0 0 314.337 3.424 20 10 DGCDRN COC(=O)COc1ccc(N(C)C[C@@H](C)c2ccccc2)cc1 ZINC000784560467 624547828 /nfs/dbraw/zinc/54/78/28/624547828.db2.gz XJQUZZFDFOPTQA-OAHLLOKOSA-N 0 0 313.397 3.478 20 10 DGCDRN Oc1ccccc1CN(Cc1csnn1)Cc1ccco1 ZINC000127771362 624560081 /nfs/dbraw/zinc/56/00/81/624560081.db2.gz IDBCHJMJLQWMRI-UHFFFAOYSA-N 0 0 301.371 3.039 20 10 DGCDRN CC1(C)CC[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)O1 ZINC000784936497 624599561 /nfs/dbraw/zinc/59/95/61/624599561.db2.gz GCVZAWWGWHIAJR-KRWDZBQOSA-N 0 0 316.445 3.251 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2cccnc2C2CC2)cc1 ZINC000785078990 624629774 /nfs/dbraw/zinc/62/97/74/624629774.db2.gz SKIUJDVLKNBYQO-UHFFFAOYSA-N 0 0 309.413 3.297 20 10 DGCDRN CC(=O)c1nc(NC(=O)N[C@H](C)c2ccccc2O)sc1C ZINC000879765603 624670179 /nfs/dbraw/zinc/67/01/79/624670179.db2.gz GLFVOHJXMRWQAX-MRVPVSSYSA-N 0 0 319.386 3.242 20 10 DGCDRN CCN(C[C@H](C)NC(=O)OC(C)(C)C)c1ccc(OC)cc1 ZINC000785465239 624670895 /nfs/dbraw/zinc/67/08/95/624670895.db2.gz DYBDSCXVXNOMTJ-ZDUSSCGKSA-N 0 0 308.422 3.435 20 10 DGCDRN CC[C@]1(C)CN(Cc2cc(Cl)cc(C(C)=O)c2O)CCO1 ZINC000785492372 624676025 /nfs/dbraw/zinc/67/60/25/624676025.db2.gz AXDNWNLKCZRTSS-MRXNPFEDSA-N 0 0 311.809 3.249 20 10 DGCDRN Cc1ccc(N2CCNC2=O)cc1NCc1ccc(N(C)C)cc1 ZINC000785547309 624684245 /nfs/dbraw/zinc/68/42/45/624684245.db2.gz MNEMGRLCCYMYJL-UHFFFAOYSA-N 0 0 324.428 3.203 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2ccc(F)c(SC)c2)c1 ZINC000128005881 624685653 /nfs/dbraw/zinc/68/56/53/624685653.db2.gz NBMCWVGMOLTFKO-UHFFFAOYSA-N 0 0 321.373 3.192 20 10 DGCDRN CCOc1ccc(NC(=O)N[C@H](C)c2ccccc2O)nc1C ZINC000880151661 624810394 /nfs/dbraw/zinc/81/03/94/624810394.db2.gz TXTXUYDWCZTUBH-LLVKDONJSA-N 0 0 315.373 3.377 20 10 DGCDRN Cc1ccccc1C[C@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000786577692 624925445 /nfs/dbraw/zinc/92/54/45/624925445.db2.gz CWEYPVMOWBRKAQ-OAHLLOKOSA-N 0 0 323.795 3.186 20 10 DGCDRN Cc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)c(C)c1 ZINC000128427797 624956947 /nfs/dbraw/zinc/95/69/47/624956947.db2.gz ZRQBMWGPQOMLNY-UHFFFAOYSA-N 0 0 300.358 3.079 20 10 DGCDRN CO[C@@H](C)[C@H](C)NC(=O)c1sccc1-n1c(C)ccc1C ZINC000787412655 625007354 /nfs/dbraw/zinc/00/73/54/625007354.db2.gz JVYLYUMSTRRNPU-STQMWFEESA-N 0 0 306.431 3.309 20 10 DGCDRN CSC1(C[NH2+]Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000788524493 625207669 /nfs/dbraw/zinc/20/76/69/625207669.db2.gz QTRJXDYDVABBGU-UHFFFAOYSA-N 0 0 316.264 3.448 20 10 DGCDRN O=C(Nc1nc(-c2ccccc2)cs1)c1cccc(O)c1O ZINC000788628435 625231714 /nfs/dbraw/zinc/23/17/14/625231714.db2.gz ZBHFJSWMZHTAQC-UHFFFAOYSA-N 0 0 312.350 3.474 20 10 DGCDRN C[C@@H]([NH2+]CC1(CO)CCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788743642 625256677 /nfs/dbraw/zinc/25/66/77/625256677.db2.gz ZSLZDTVCKHMFDE-SNVBAGLBSA-N 0 0 303.324 3.224 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])[C@H]1CCOC1 ZINC000788816550 625275289 /nfs/dbraw/zinc/27/52/89/625275289.db2.gz SNTMPQGMKYFDFN-VWYCJHECSA-N 0 0 303.324 3.487 20 10 DGCDRN CCNc1cc(C)ccc1NC(=O)c1ccc(C)c(O)c1O ZINC000790976453 625727790 /nfs/dbraw/zinc/72/77/90/625727790.db2.gz QHXGBWDPAJLAJS-UHFFFAOYSA-N 0 0 300.358 3.399 20 10 DGCDRN COc1ccc(N2CC[C@H](CNc3ncnc(C)c3C)C2)cc1 ZINC000882479674 625737047 /nfs/dbraw/zinc/73/70/47/625737047.db2.gz BUOMHYPOIOWRNP-OAHLLOKOSA-N 0 0 312.417 3.040 20 10 DGCDRN O=C(N[C@H](c1cc(F)ccc1F)C(F)F)C1=CC(=O)CS1 ZINC000791018013 625738307 /nfs/dbraw/zinc/73/83/07/625738307.db2.gz PPBHTDIAQMHDRA-LLVKDONJSA-N 0 0 319.279 3.468 20 10 DGCDRN O=C(/C=C\c1cncc(O)c1)N1CC2(CCC2)c2ccccc21 ZINC000791023447 625740250 /nfs/dbraw/zinc/74/02/50/625740250.db2.gz LMHMZWBBNYTVTD-SREVYHEPSA-N 0 0 306.365 3.269 20 10 DGCDRN COc1ccc2c(c1NC(=O)c1ccc(C)c(O)c1O)CCC2 ZINC000791124894 625752871 /nfs/dbraw/zinc/75/28/71/625752871.db2.gz CAGXHYMZZXGDHI-UHFFFAOYSA-N 0 0 313.353 3.156 20 10 DGCDRN COc1ccc(N2CC[C@@H](Nc3cc(C4CC4)ncn3)C2)cc1 ZINC000882578317 625758926 /nfs/dbraw/zinc/75/89/26/625758926.db2.gz ORAMWWHEZOAEIT-CQSZACIVSA-N 0 0 310.401 3.053 20 10 DGCDRN COc1ccc(CSc2ncc([N+](=O)[O-])s2)c(OC)c1 ZINC000882736931 625802351 /nfs/dbraw/zinc/80/23/51/625802351.db2.gz WHVRQKAZMCHITR-UHFFFAOYSA-N 0 0 312.372 3.361 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccc2c(c1)OCO2 ZINC000882885188 625845733 /nfs/dbraw/zinc/84/57/33/625845733.db2.gz NFNOQJSDJXHPIM-SECBINFHSA-N 0 0 307.296 3.250 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000882990007 625887684 /nfs/dbraw/zinc/88/76/84/625887684.db2.gz RRFBZDAAQONVPJ-LLVKDONJSA-N 0 0 305.324 3.326 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000882995220 625890842 /nfs/dbraw/zinc/89/08/42/625890842.db2.gz MXNMWUUQLSLDEA-INIZCTEOSA-N 0 0 305.324 3.074 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883003162 625893596 /nfs/dbraw/zinc/89/35/96/625893596.db2.gz BITCPLYPCFWXIJ-UHFFFAOYSA-N 0 0 306.356 3.335 20 10 DGCDRN C[C@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883079488 625919130 /nfs/dbraw/zinc/91/91/30/625919130.db2.gz VTHGHLNFPXBRJP-BDJLRTHQSA-N 0 0 307.340 3.272 20 10 DGCDRN COCC[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccc(C)o1 ZINC000883083925 625920461 /nfs/dbraw/zinc/92/04/61/625920461.db2.gz CCCFYFDBGFDHBG-AWEZNQCLSA-N 0 0 311.328 3.439 20 10 DGCDRN CO[C@H](C)[C@H](C)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000883100456 625927605 /nfs/dbraw/zinc/92/76/05/625927605.db2.gz YKGHINVSVPVUJI-JGVFFNPUSA-N 0 0 322.630 3.321 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000883136081 625939815 /nfs/dbraw/zinc/93/98/15/625939815.db2.gz ULTGOXJRTQYQMS-GDBMZVCRSA-N 0 0 320.339 3.075 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CCC(F)CC2)cc1 ZINC000883157960 625946779 /nfs/dbraw/zinc/94/67/79/625946779.db2.gz PNLLNRVPHHMKCK-UHFFFAOYSA-N 0 0 307.413 3.176 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1cccc2c1CCOC2 ZINC000883196529 625966624 /nfs/dbraw/zinc/96/66/24/625966624.db2.gz QZPCPNPJKBYZHE-UHFFFAOYSA-N 0 0 305.324 3.033 20 10 DGCDRN CCOC1(C(=O)NCCCSc2nccs2)CCCC1 ZINC000796422155 626048830 /nfs/dbraw/zinc/04/88/30/626048830.db2.gz XIQOYRQUFCQUIW-UHFFFAOYSA-N 0 0 314.476 3.091 20 10 DGCDRN CC[C@H]([NH2+]Cc1cccnc1N(C)C)c1ccc(F)cc1[O-] ZINC000796691813 626073520 /nfs/dbraw/zinc/07/35/20/626073520.db2.gz DWEALQMLINPYFS-HNNXBMFYSA-N 0 0 303.381 3.233 20 10 DGCDRN CC[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccc(F)cc1[O-] ZINC000796737125 626078033 /nfs/dbraw/zinc/07/80/33/626078033.db2.gz KIMMMFRSRSBPPT-CQSZACIVSA-N 0 0 316.367 3.302 20 10 DGCDRN CC[C@@H]([NH2+]Cc1csc(N(C)C)n1)c1ccc(F)cc1[O-] ZINC000796777054 626081505 /nfs/dbraw/zinc/08/15/05/626081505.db2.gz AIDMQXIXYQQVJE-CYBMUJFWSA-N 0 0 309.410 3.295 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000796800005 626084271 /nfs/dbraw/zinc/08/42/71/626084271.db2.gz CVUQZFIIRBDHGQ-DLBZAZTESA-N 0 0 322.408 3.282 20 10 DGCDRN CC[C@@H](Nc1ccc2c(c1)C(=O)NCC2)c1ccc(F)cc1O ZINC000796926049 626096711 /nfs/dbraw/zinc/09/67/11/626096711.db2.gz NGGROQITNJEKBL-MRXNPFEDSA-N 0 0 314.360 3.380 20 10 DGCDRN CC1=C[C@@H](C)CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000797463241 626144731 /nfs/dbraw/zinc/14/47/31/626144731.db2.gz IMBNJBXSDOWUCS-OAHLLOKOSA-N 0 0 311.429 3.170 20 10 DGCDRN COc1ccc(CNC(=O)Nc2cc(C)cc(F)c2)c(O)c1 ZINC000797636780 626161289 /nfs/dbraw/zinc/16/12/89/626161289.db2.gz LUJYZVWYXLZZDD-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN COc1ccc(CNC(=O)Nc2cccc3cc[nH]c32)c(O)c1 ZINC000797647673 626162221 /nfs/dbraw/zinc/16/22/21/626162221.db2.gz LUAGURVIRUTVIW-UHFFFAOYSA-N 0 0 311.341 3.204 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C[C@H]2CCC(F)(F)C2)cc1F ZINC000797845956 626174177 /nfs/dbraw/zinc/17/41/77/626174177.db2.gz GSCGRTKUSZLWOE-LLVKDONJSA-N 0 0 314.351 3.333 20 10 DGCDRN Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)c(O)c1O ZINC000798008733 626189241 /nfs/dbraw/zinc/18/92/41/626189241.db2.gz RIVBUWSPCBQWIM-UONOGXRCSA-N 0 0 317.772 3.346 20 10 DGCDRN O=C(N[C@H]1C[C@H](c2cccc(Cl)c2)C1)c1cccc(O)c1O ZINC000798024693 626189824 /nfs/dbraw/zinc/18/98/24/626189824.db2.gz YZAHKMWKOAGHTM-AULYBMBSSA-N 0 0 317.772 3.427 20 10 DGCDRN Cc1cccc(CNc2ccc(C(N)=O)c(OC(C)C)c2)c1O ZINC000798085912 626193297 /nfs/dbraw/zinc/19/32/97/626193297.db2.gz GAVQUSFKOCKWJE-UHFFFAOYSA-N 0 0 314.385 3.199 20 10 DGCDRN Cc1ccc(NC(=O)N(C)C)cc1NC(=O)C1=CC(=O)CS1 ZINC000798123935 626195850 /nfs/dbraw/zinc/19/58/50/626195850.db2.gz PJSRVJSFJKGVHW-UHFFFAOYSA-N 0 0 319.386 3.108 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](O)c1ccco1)c1cccc(C(F)(F)F)c1[O-] ZINC000798179480 626200037 /nfs/dbraw/zinc/20/00/37/626200037.db2.gz BTFYNIANOTZDLD-SKDRFNHKSA-N 0 0 315.291 3.388 20 10 DGCDRN Cc1c(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])cnn1C ZINC000798182030 626200359 /nfs/dbraw/zinc/20/03/59/626200359.db2.gz PVHIYKJTRSGVCQ-VIFPVBQESA-N 0 0 313.323 3.304 20 10 DGCDRN CSCCCN(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000798460402 626219093 /nfs/dbraw/zinc/21/90/93/626219093.db2.gz VMLNYZYSIGGZJF-CYBMUJFWSA-N 0 0 309.479 3.208 20 10 DGCDRN O=C1CCN1c1ccc(NCc2c(O)cccc2Cl)cc1 ZINC000798502583 626221754 /nfs/dbraw/zinc/22/17/54/626221754.db2.gz RKKIVUUJSZZTCE-UHFFFAOYSA-N 0 0 302.761 3.394 20 10 DGCDRN C[C@H]1CCC[C@H]1CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000798512239 626222873 /nfs/dbraw/zinc/22/28/73/626222873.db2.gz GCEPPNLVRWKPRR-HOCLYGCPSA-N 0 0 303.450 3.330 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCc1cnc2ccccc2c1 ZINC000798638581 626233910 /nfs/dbraw/zinc/23/39/10/626233910.db2.gz UIMHUNLEWGQXAM-VURMDHGXSA-N 0 0 321.332 3.403 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccoc2C2CC2)c1 ZINC000798981183 626264950 /nfs/dbraw/zinc/26/49/50/626264950.db2.gz KIQKTYKBWAKMPZ-SNVBAGLBSA-N 0 0 301.342 3.362 20 10 DGCDRN COC(=O)CC1(CN(c2ccc(OC)c(F)c2)C(C)C)CC1 ZINC000799307478 626287417 /nfs/dbraw/zinc/28/74/17/626287417.db2.gz KRWNWDUSJCUNKW-UHFFFAOYSA-N 0 0 309.381 3.392 20 10 DGCDRN COc1ccc2occ(C(=O)N(C)Cc3ccccc3O)c2c1 ZINC000799689211 626322287 /nfs/dbraw/zinc/32/22/87/626322287.db2.gz GTXWNBFPXFTRSU-UHFFFAOYSA-N 0 0 311.337 3.419 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1O[C@H](C)C[C@H]1C ZINC000799881389 626333154 /nfs/dbraw/zinc/33/31/54/626333154.db2.gz LNWAJYMVMQWBOV-RKVPGOIHSA-N 0 0 318.461 3.303 20 10 DGCDRN O=S(=O)(/C=C\c1ccccc1F)Nc1ccc(O)cc1F ZINC000799924967 626335894 /nfs/dbraw/zinc/33/58/94/626335894.db2.gz KFSZHXOVAMCGDN-FPLPWBNLSA-N 0 0 311.309 3.083 20 10 DGCDRN Cc1cc(NS(=O)(=O)/C=C/c2ccccc2F)ccc1O ZINC000799923086 626335970 /nfs/dbraw/zinc/33/59/70/626335970.db2.gz ARPXVVZWIDFOIY-CMDGGOBGSA-N 0 0 307.346 3.252 20 10 DGCDRN C[C@@H]1C[C@@H](C)[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)O1 ZINC000800328538 626352046 /nfs/dbraw/zinc/35/20/46/626352046.db2.gz OJZHBPOZCUVPRO-IIDMSEBBSA-N 0 0 316.445 3.107 20 10 DGCDRN Cc1cccc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000839916549 626370518 /nfs/dbraw/zinc/37/05/18/626370518.db2.gz VJKNBUAKBDIADV-OAHLLOKOSA-N 0 0 311.429 3.125 20 10 DGCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC3)cc2Cl)C1 ZINC000800719360 626372528 /nfs/dbraw/zinc/37/25/28/626372528.db2.gz JXGWGAKNTPEZIM-CYBMUJFWSA-N 0 0 321.852 3.492 20 10 DGCDRN Cc1ncc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)s1 ZINC000839919122 626372997 /nfs/dbraw/zinc/37/29/97/626372997.db2.gz PPVJPEBCHFCLDQ-LBPRGKRZSA-N 0 0 317.458 3.187 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H](C)C(C)(F)F ZINC000839920669 626373583 /nfs/dbraw/zinc/37/35/83/626373583.db2.gz COTBCDQIYVUGMH-STQMWFEESA-N 0 0 312.404 3.400 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1(CCF)CC1 ZINC000839920818 626373713 /nfs/dbraw/zinc/37/37/13/626373713.db2.gz FGPAOOLICXOOIR-CQSZACIVSA-N 0 0 306.425 3.248 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1C[C@@H]1C(C)C ZINC000839919694 626373727 /nfs/dbraw/zinc/37/37/27/626373727.db2.gz JHJAEIZMZJOFDY-BMGDILEWSA-N 0 0 302.462 3.400 20 10 DGCDRN CO[C@@H](C)c1nsc(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000800848483 626379028 /nfs/dbraw/zinc/37/90/28/626379028.db2.gz PLFJRJAASRMBDC-VIFPVBQESA-N 0 0 310.398 3.063 20 10 DGCDRN CCCCN(Cc1ccccc1O)c1cc(C)nc(COC)n1 ZINC000800887563 626382780 /nfs/dbraw/zinc/38/27/80/626382780.db2.gz XMRZMINBQODCKH-UHFFFAOYSA-N 0 0 315.417 3.444 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCOC[C@@H]1C ZINC000802304661 626558497 /nfs/dbraw/zinc/55/84/97/626558497.db2.gz JGRYFCCKJNAKMH-GOEBONIOSA-N 0 0 320.433 3.129 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1occ2c1CCC2 ZINC000802785466 626572124 /nfs/dbraw/zinc/57/21/24/626572124.db2.gz UMSDUMNPSHJEQW-UHFFFAOYSA-N 0 0 311.381 3.283 20 10 DGCDRN COc1ccc(CNC(=O)c2cc(C(C)C)oc2C)c(O)c1 ZINC000803292894 626602936 /nfs/dbraw/zinc/60/29/36/626602936.db2.gz ZIZAEFUGQNZDDZ-UHFFFAOYSA-N 0 0 303.358 3.356 20 10 DGCDRN CCn1cnnc1NC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC000803527778 626621643 /nfs/dbraw/zinc/62/16/43/626621643.db2.gz BONREGUDRRRVDG-UHFFFAOYSA-N 0 0 323.400 3.266 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1ccc(F)cc1[O-] ZINC000883263285 626628826 /nfs/dbraw/zinc/62/88/26/626628826.db2.gz OJXFSUYBTHNECO-UKRRQHHQSA-N 0 0 323.408 3.158 20 10 DGCDRN COC[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000883319455 626645825 /nfs/dbraw/zinc/64/58/25/626645825.db2.gz CLKGLJVUHHVDKW-MXWKQRLJSA-N 0 0 303.324 3.487 20 10 DGCDRN CC(=O)c1cc(NC(=O)C=Cc2ccc(O)c(O)c2)ccc1F ZINC000804273259 626665668 /nfs/dbraw/zinc/66/56/68/626665668.db2.gz SZFPDCROPXDTQA-XVNBXDOJSA-N 0 0 315.300 3.091 20 10 DGCDRN Cc1cc2c(cc1C)N(C(=O)c1c[nH]cc1-c1cnn(C)c1)CC2 ZINC000804322023 626669123 /nfs/dbraw/zinc/66/91/23/626669123.db2.gz SNXYKAFGDVNQAI-UHFFFAOYSA-N 0 0 320.396 3.235 20 10 DGCDRN O=C(/C=C\c1cncc(F)c1)N1CCc2cc(Cl)ccc21 ZINC000804346883 626671684 /nfs/dbraw/zinc/67/16/84/626671684.db2.gz VTDKDSIXVJUNAD-RJRFIUFISA-N 0 0 302.736 3.477 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000804461434 626682841 /nfs/dbraw/zinc/68/28/41/626682841.db2.gz ZTQDJMZVQVGSJQ-UHFFFAOYSA-N 0 0 300.362 3.164 20 10 DGCDRN CC[C@@H]([NH2+]CCC(=O)NC(C)(C)C)c1cccc(Cl)c1[O-] ZINC000806146624 626702365 /nfs/dbraw/zinc/70/23/65/626702365.db2.gz WCLABVWYSNMSRN-CYBMUJFWSA-N 0 0 312.841 3.391 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](C)COCCOC)c1cccc(Cl)c1[O-] ZINC000806147964 626702524 /nfs/dbraw/zinc/70/25/24/626702524.db2.gz PBCKNCDBMREDMW-SMDDNHRTSA-N 0 0 301.814 3.138 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cnn(C)n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000806168660 626703494 /nfs/dbraw/zinc/70/34/94/626703494.db2.gz WGZZNSZRCCSULR-LLVKDONJSA-N 0 0 315.204 3.068 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2c(C)ccnc2C)c1 ZINC000806538050 626719427 /nfs/dbraw/zinc/71/94/27/626719427.db2.gz SYQMFODUPTXJRS-LLVKDONJSA-N 0 0 315.373 3.295 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cc2ccccn2n1 ZINC000806645661 626728696 /nfs/dbraw/zinc/72/86/96/626728696.db2.gz DABBOYGWDISMMV-UHFFFAOYSA-N 0 0 324.384 3.484 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc3cc(C)cn3c2)c1 ZINC000806791469 626734542 /nfs/dbraw/zinc/73/45/42/626734542.db2.gz FRVMHJMECGBPFW-ZDUSSCGKSA-N 0 0 324.380 3.453 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@H](C)c2ccncc2)c1 ZINC000132757779 626738798 /nfs/dbraw/zinc/73/87/98/626738798.db2.gz WPYBWKCATNBLKQ-QWHCGFSZSA-N 0 0 314.385 3.167 20 10 DGCDRN C[C@H]1CC[C@@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000807555440 626759869 /nfs/dbraw/zinc/75/98/69/626759869.db2.gz ARJCSUPWZGRDCB-GUYCJALGSA-N 0 0 301.434 3.225 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCC1(C)C ZINC000807575647 626761424 /nfs/dbraw/zinc/76/14/24/626761424.db2.gz QTOKPBGYVXBLTB-INIZCTEOSA-N 0 0 303.450 3.473 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CCCC1(F)F ZINC000807597353 626762612 /nfs/dbraw/zinc/76/26/12/626762612.db2.gz ZXQRMQQLBYZSIE-OAHLLOKOSA-N 0 0 324.371 3.258 20 10 DGCDRN Cc1cc(C(=O)Nc2nc(C3CC3)c[nH]2)c(C)n1-c1ccccn1 ZINC000807662754 626764319 /nfs/dbraw/zinc/76/43/19/626764319.db2.gz PJLJOEMHRBBNJT-UHFFFAOYSA-N 0 0 321.384 3.342 20 10 DGCDRN CC(C)(C(=O)NCc1cc(Br)ccc1O)C1CC1 ZINC000807736551 626766715 /nfs/dbraw/zinc/76/67/15/626766715.db2.gz BELQKDMWJQMCDJ-UHFFFAOYSA-N 0 0 312.207 3.207 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)N2CC[C@H](C)C2)cc1 ZINC000800002626 626790639 /nfs/dbraw/zinc/79/06/39/626790639.db2.gz ULQYHEDQFZRYSM-HNNXBMFYSA-N 0 0 303.450 3.426 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C)ccc1F ZINC000808093073 626791804 /nfs/dbraw/zinc/79/18/04/626791804.db2.gz HIVACGYGDFNVAL-UHFFFAOYSA-N 0 0 308.349 3.255 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)CSc1ccccc1 ZINC000808093909 626791845 /nfs/dbraw/zinc/79/18/45/626791845.db2.gz YYKGORUYPALDHH-UHFFFAOYSA-N 0 0 322.426 3.286 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)CSC(C)(C)C ZINC000808093709 626792127 /nfs/dbraw/zinc/79/21/27/626792127.db2.gz UZLNXXFXKKLBHP-UHFFFAOYSA-N 0 0 302.436 3.026 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)c1cccs1 ZINC000808096217 626792558 /nfs/dbraw/zinc/79/25/58/626792558.db2.gz DTZYDMZAIHTLCB-NSHDSACASA-N 0 0 310.415 3.359 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC2(C(F)F)CCCC2)cc1 ZINC000808497458 626833365 /nfs/dbraw/zinc/83/33/65/626833365.db2.gz PMCMXMRXRGLNFY-UHFFFAOYSA-N 0 0 311.376 3.130 20 10 DGCDRN Cc1cc(C(=O)Nc2cccc(O)c2)c(C)n1-c1ccccn1 ZINC000133741917 626835440 /nfs/dbraw/zinc/83/54/40/626835440.db2.gz XHCSKTJVEYVMJT-UHFFFAOYSA-N 0 0 307.353 3.447 20 10 DGCDRN CC(=O)C(=O)COC(=O)c1ccc(-c2cccc(C(C)C)c2)o1 ZINC000808533826 626837145 /nfs/dbraw/zinc/83/71/45/626837145.db2.gz BDOXICOGXFUNEK-UHFFFAOYSA-N 0 0 314.337 3.385 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000808727580 626854209 /nfs/dbraw/zinc/85/42/09/626854209.db2.gz JJLNVZNBXKPGBU-GHMZBOCLSA-N 0 0 305.324 3.497 20 10 DGCDRN C[C@H]([NH2+][C@@H]1COc2ccc(F)cc2C1)c1ccc(F)cc1[O-] ZINC000808729136 626854822 /nfs/dbraw/zinc/85/48/22/626854822.db2.gz HPZXXGLOIMUARK-HZMBPMFUSA-N 0 0 305.324 3.325 20 10 DGCDRN CCCCN(C)C[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000808733340 626856158 /nfs/dbraw/zinc/85/61/58/626856158.db2.gz UVGCPXRGMUKAOK-STQMWFEESA-N 0 0 309.410 3.071 20 10 DGCDRN Cc1ccc(C)c(C2=NO[C@H](C(=O)N(C)c3ccc(N)cc3)C2)c1 ZINC000884442052 626880633 /nfs/dbraw/zinc/88/06/33/626880633.db2.gz VKDVTWBXHHQTQX-SFHVURJKSA-N 0 0 323.396 3.042 20 10 DGCDRN CN1CCCc2cc(CNC(=O)CC3CCSCC3)ccc21 ZINC000135432682 626930521 /nfs/dbraw/zinc/93/05/21/626930521.db2.gz UAUGWVUBQGWCSH-UHFFFAOYSA-N 0 0 318.486 3.219 20 10 DGCDRN COc1cccc(CN2C[C@@H](C)CN(C)c3ccccc32)c1O ZINC000809665507 626934454 /nfs/dbraw/zinc/93/44/54/626934454.db2.gz VECOVSZUNWVASQ-AWEZNQCLSA-N 0 0 312.413 3.493 20 10 DGCDRN C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1c([O-])ccc(Cl)c1F ZINC000809703678 626939334 /nfs/dbraw/zinc/93/93/34/626939334.db2.gz OIFZJOHYJQCPCE-RYUDHWBXSA-N 0 0 312.816 3.243 20 10 DGCDRN COc1cccc(CN2CCCN(C)c3ccc(F)cc32)c1O ZINC000809785951 626953244 /nfs/dbraw/zinc/95/32/44/626953244.db2.gz IVTBGAQFPUUEFJ-UHFFFAOYSA-N 0 0 316.376 3.386 20 10 DGCDRN COc1cccc(CN2CCCN(C)c3cc(F)ccc32)c1O ZINC000809786012 626953352 /nfs/dbraw/zinc/95/33/52/626953352.db2.gz LTCDYAKJYVVYGE-UHFFFAOYSA-N 0 0 316.376 3.386 20 10 DGCDRN Cc1ccc2c(c1)OCCN2C(=O)/C=C/c1ccc(Cl)nc1 ZINC000135800076 626980348 /nfs/dbraw/zinc/98/03/48/626980348.db2.gz PDTWHWNLASTFQA-QPJJXVBHSA-N 0 0 314.772 3.482 20 10 DGCDRN COc1cc(F)c(F)cc1NC(=O)N(C)Cc1ccccc1O ZINC000810272030 626995470 /nfs/dbraw/zinc/99/54/70/626995470.db2.gz DVVZHKNOMKZGML-UHFFFAOYSA-N 0 0 322.311 3.343 20 10 DGCDRN CCCN(CC)C[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000810263754 626995552 /nfs/dbraw/zinc/99/55/52/626995552.db2.gz SDVBBDYUYGXFQD-QWHCGFSZSA-N 0 0 309.410 3.071 20 10 DGCDRN O=C(NCc1ccccc1O)c1ccc2c(c1)CCCCC2=O ZINC000810275135 626995948 /nfs/dbraw/zinc/99/59/48/626995948.db2.gz JOFGOPBOZBMTDU-UHFFFAOYSA-N 0 0 309.365 3.231 20 10 DGCDRN CC[C@H](C)CSCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000840198088 626999737 /nfs/dbraw/zinc/99/97/37/626999737.db2.gz KQXJGEMXZHQHNS-AWEZNQCLSA-N 0 0 308.491 3.490 20 10 DGCDRN CC(C)[C@@H](C)SCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000840201696 627004505 /nfs/dbraw/zinc/00/45/05/627004505.db2.gz OURPHTKNERYCGH-CQSZACIVSA-N 0 0 308.491 3.489 20 10 DGCDRN Cc1cc(F)ccc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000137438281 627124150 /nfs/dbraw/zinc/12/41/50/627124150.db2.gz AJXICPHLOAMFHH-UHFFFAOYSA-N 0 0 304.340 3.269 20 10 DGCDRN C[C@@H](N[C@H](C)c1c(O)cccc1F)c1nnc2n1CCCCC2 ZINC000886500454 627153406 /nfs/dbraw/zinc/15/34/06/627153406.db2.gz WPOVCNZZINCYFJ-VXGBXAGGSA-N 0 0 318.396 3.261 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1c([O-])cccc1F ZINC000886530520 627158016 /nfs/dbraw/zinc/15/80/16/627158016.db2.gz LWLCOXQIUXBYTG-UKRRQHHQSA-N 0 0 303.377 3.348 20 10 DGCDRN CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2c([O-])cccc2F)C1 ZINC000886536705 627158874 /nfs/dbraw/zinc/15/88/74/627158874.db2.gz NNEQOQHOPMIXCE-KDRJOKAESA-N 0 0 313.438 3.262 20 10 DGCDRN COc1ccc([C@@H](CCO)[NH2+][C@@H](C)c2c([O-])cccc2F)cc1 ZINC000886543492 627160608 /nfs/dbraw/zinc/16/06/08/627160608.db2.gz PSIXCZJEJUFXLB-BLLLJJGKSA-N 0 0 319.376 3.314 20 10 DGCDRN C[C@@H](N[C@H](CO)c1c(F)cccc1F)c1c(O)cccc1F ZINC000886547884 627160781 /nfs/dbraw/zinc/16/07/81/627160781.db2.gz SZDWDYZZULCIBA-NOZJJQNGSA-N 0 0 311.303 3.194 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1c([O-])cccc1F ZINC000886551596 627161687 /nfs/dbraw/zinc/16/16/87/627161687.db2.gz KOQNRYRESHWTLC-IUODEOHRSA-N 0 0 320.408 3.116 20 10 DGCDRN Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2c([O-])cccc2F)cc1 ZINC000886596251 627170044 /nfs/dbraw/zinc/17/00/44/627170044.db2.gz ABBIVEPGLHWQPX-UKRRQHHQSA-N 0 0 303.377 3.094 20 10 DGCDRN C[C@H](NCc1nccc(C(F)(F)F)n1)c1c(O)cccc1F ZINC000886625306 627176237 /nfs/dbraw/zinc/17/62/37/627176237.db2.gz NEWHYVQJSKBNFM-QMMMGPOBSA-N 0 0 315.270 3.191 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1c2ccccc2CN1C)c1c([O-])cccc1F ZINC000886648201 627180137 /nfs/dbraw/zinc/18/01/37/627180137.db2.gz NPLDNLOBUDAZLN-MLGOLLRUSA-N 0 0 300.377 3.369 20 10 DGCDRN CC[C@H]([NH2+][C@H](COC)[C@H]1CCCOC1)c1ccc(F)cc1[O-] ZINC000886789250 627204597 /nfs/dbraw/zinc/20/45/97/627204597.db2.gz QUKONBFQMWHEES-VBNZEHGJSA-N 0 0 311.397 3.014 20 10 DGCDRN C[C@@H](N[C@@H](CCO)C(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000886801621 627205993 /nfs/dbraw/zinc/20/59/93/627205993.db2.gz PXAIGEHCZBYTBS-BMIGLBTASA-N 0 0 317.351 3.235 20 10 DGCDRN C[C@@H]1CN(Cc2cc(Cl)ccc2O)c2ccccc2C(=O)N1 ZINC000811508753 627284441 /nfs/dbraw/zinc/28/44/41/627284441.db2.gz ATTJAASKKYUHPW-LLVKDONJSA-N 0 0 316.788 3.184 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCc1ccco1 ZINC000840237257 627315044 /nfs/dbraw/zinc/31/50/44/627315044.db2.gz ILMNOFDFNYLBCA-AWEZNQCLSA-N 0 0 315.417 3.084 20 10 DGCDRN CO[C@@H]1CC[N@H+](Cc2cccc(Br)c2[O-])[C@H](C)C1 ZINC000302276896 627317335 /nfs/dbraw/zinc/31/73/35/627317335.db2.gz BJDPUBUFIHERKU-ZYHUDNBSSA-N 0 0 314.223 3.154 20 10 DGCDRN COc1ccc(O)c(CNc2cc(OC)c([N+](=O)[O-])cc2F)c1 ZINC000811806483 627323296 /nfs/dbraw/zinc/32/32/96/627323296.db2.gz ZISUKDABSLGBHA-UHFFFAOYSA-N 0 0 322.292 3.069 20 10 DGCDRN CCc1c(Cl)nc(C)nc1NCCc1ccc(O)c(O)c1 ZINC000811810804 627323790 /nfs/dbraw/zinc/32/37/90/627323790.db2.gz CYZGJOJQAHDDMI-UHFFFAOYSA-N 0 0 307.781 3.067 20 10 DGCDRN COc1ccc2nc(NCCc3ccc(O)c(O)c3)ccc2c1 ZINC000811811459 627324618 /nfs/dbraw/zinc/32/46/18/627324618.db2.gz VCCXRXUYBLOORN-UHFFFAOYSA-N 0 0 310.353 3.309 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CC(C)(C)[C@@H]2C2CC2)cc1F ZINC000812017870 627348078 /nfs/dbraw/zinc/34/80/78/627348078.db2.gz KTGILLJBGJUOKU-INIZCTEOSA-N 0 0 319.424 3.222 20 10 DGCDRN CO[C@H](C)[C@@H](C)NC(=O)c1sccc1-n1c(C)ccc1C ZINC000812347303 627373135 /nfs/dbraw/zinc/37/31/35/627373135.db2.gz JVYLYUMSTRRNPU-CHWSQXEVSA-N 0 0 306.431 3.309 20 10 DGCDRN COc1ccc2c(c1)C1(CC1)CN(C(=O)C1=CC(=O)CS1)C2 ZINC000812358446 627374522 /nfs/dbraw/zinc/37/45/22/627374522.db2.gz LXKHNLKDODXNAI-UHFFFAOYSA-N 0 0 315.394 3.150 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OC[C@@H]1C[C@H]1c1ccccc1 ZINC000812590067 627400642 /nfs/dbraw/zinc/40/06/42/627400642.db2.gz STRHPDQXNNIMHU-RDIIQDETSA-N 0 0 310.349 3.458 20 10 DGCDRN c1csc(SCCCNc2ncc3c(n2)CCCC3)n1 ZINC000840259977 627404285 /nfs/dbraw/zinc/40/42/85/627404285.db2.gz GUOMPSWNMPCYGN-UHFFFAOYSA-N 0 0 306.460 3.406 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CS[C@@H](C)C2)cc1 ZINC000840262036 627409842 /nfs/dbraw/zinc/40/98/42/627409842.db2.gz BVJGCRXEULHJAR-ZFWWWQNUSA-N 0 0 321.490 3.226 20 10 DGCDRN CCN(C(=O)c1ccc(-n2c(C)ccc2C)cc1)[C@@H]1CCOC1 ZINC000812725500 627413221 /nfs/dbraw/zinc/41/32/21/627413221.db2.gz BVYVCXPVTVFJJH-GOSISDBHSA-N 0 0 312.413 3.345 20 10 DGCDRN Cn1cc(NCc2cc(Br)ccc2O)c(C2CC2)n1 ZINC000812777838 627419168 /nfs/dbraw/zinc/41/91/68/627419168.db2.gz WXBQGRVUQWNITB-UHFFFAOYSA-N 0 0 322.206 3.378 20 10 DGCDRN COC[C@@H](C)[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000812881977 627432116 /nfs/dbraw/zinc/43/21/16/627432116.db2.gz IPUSUDXFZRNCPS-HZPDHXFCSA-N 0 0 320.477 3.408 20 10 DGCDRN CC(C)(C)O[C@@H]1C[C@H](NC(=O)NCc2ccccc2O)C1(C)C ZINC000840276443 627441269 /nfs/dbraw/zinc/44/12/69/627441269.db2.gz KLHNAAOGHLQTDE-LSDHHAIUSA-N 0 0 320.433 3.174 20 10 DGCDRN O=C(Nc1cccc(N2CCCC2)c1)c1cccc2oc(=O)[nH]c21 ZINC000813398484 627485939 /nfs/dbraw/zinc/48/59/39/627485939.db2.gz ZJIMPUIVZYZNRY-UHFFFAOYSA-N 0 0 323.352 3.386 20 10 DGCDRN CCc1cc(C(=O)N[C@H](C)c2cc(OC)ccc2O)ccc1O ZINC000813489288 627493673 /nfs/dbraw/zinc/49/36/73/627493673.db2.gz UWUJFOXMSMTTSO-LLVKDONJSA-N 0 0 315.369 3.160 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc[nH]c1C1CCC1 ZINC000813513624 627495375 /nfs/dbraw/zinc/49/53/75/627495375.db2.gz QPTYGDFDCXPMBO-LLVKDONJSA-N 0 0 314.385 3.054 20 10 DGCDRN C[C@H](NC(=O)CC(F)(F)C(F)F)c1ccc(N(C)C)cc1 ZINC000890031546 627495683 /nfs/dbraw/zinc/49/56/83/627495683.db2.gz YRPLEYJCHCQAMI-VIFPVBQESA-N 0 0 306.303 3.220 20 10 DGCDRN CCC(CC)(CNC(=O)NCc1ccc(N(C)C)cc1C)OC ZINC000813646336 627505442 /nfs/dbraw/zinc/50/54/42/627505442.db2.gz IGYBUEHQSAHQFZ-UHFFFAOYSA-N 0 0 321.465 3.065 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NC[C@@H]2CCC[C@@H]2C2CC2)c1 ZINC000840298390 627512898 /nfs/dbraw/zinc/51/28/98/627512898.db2.gz SYBVDUZMZVXMPV-XJKSGUPXSA-N 0 0 318.417 3.026 20 10 DGCDRN OC[C@H]1Cc2ccccc2N(Cc2c(O)ccc(Cl)c2F)C1 ZINC000814169725 627545971 /nfs/dbraw/zinc/54/59/71/627545971.db2.gz LTTKDVLFNKUPIA-NSHDSACASA-N 0 0 321.779 3.356 20 10 DGCDRN COc1cccc2c1[C@@H](C(=O)NCc1ccc(N(C)C)cc1)CC2 ZINC000814254716 627554550 /nfs/dbraw/zinc/55/45/50/627554550.db2.gz FJXWFXFHUKCHIR-KRWDZBQOSA-N 0 0 324.424 3.107 20 10 DGCDRN CCOc1ccc(O)c(CNc2ccc(F)c(NC(N)=O)c2)c1 ZINC000814301138 627557839 /nfs/dbraw/zinc/55/78/39/627557839.db2.gz VDHUCMTYYYQKSR-UHFFFAOYSA-N 0 0 319.336 3.033 20 10 DGCDRN COc1ccc(N(C)Cc2nnc(C(C)(C)C)[nH]2)cc1Cl ZINC000814627345 627580481 /nfs/dbraw/zinc/58/04/81/627580481.db2.gz XANRNEZCHLKFBK-UHFFFAOYSA-N 0 0 308.813 3.401 20 10 DGCDRN Cc1cc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)ccc1N(C)C ZINC000814761380 627589000 /nfs/dbraw/zinc/58/90/00/627589000.db2.gz LGMUVRWXDAHGBW-UHFFFAOYSA-N 0 0 300.362 3.091 20 10 DGCDRN COc1ccc2c(c1)CCCN2C[C@H](O)Cc1ccc(F)cc1 ZINC000815014012 627616586 /nfs/dbraw/zinc/61/65/86/627616586.db2.gz UGBUHKQHTRQATL-QGZVFWFLSA-N 0 0 315.388 3.191 20 10 DGCDRN Cc1cc(CN2CCOC[C@H]2c2ccco2)ccc1N(C)C ZINC000815051701 627618816 /nfs/dbraw/zinc/61/88/16/627618816.db2.gz SVJFPIXARUPLIA-KRWDZBQOSA-N 0 0 300.402 3.228 20 10 DGCDRN COC(=O)[C@@H](NCc1ccc(N(C)C)c(C)c1)c1ccccc1 ZINC000815069493 627622304 /nfs/dbraw/zinc/62/23/04/627622304.db2.gz UXPDMIGYJXAJMS-SFHVURJKSA-N 0 0 312.413 3.065 20 10 DGCDRN Cc1cc(CN2C[C@@H](C(F)(F)F)OC[C@H]2C)ccc1N(C)C ZINC000815116355 627629409 /nfs/dbraw/zinc/62/94/09/627629409.db2.gz KFYPVJSQTMTCSA-DOMZBBRYSA-N 0 0 316.367 3.213 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1cccc(C(F)(F)F)c1[O-] ZINC000815558677 627684678 /nfs/dbraw/zinc/68/46/78/627684678.db2.gz KTIVULZTFOEDJG-WDEREUQCSA-N 0 0 313.323 3.347 20 10 DGCDRN CC(C)C[C@H](O)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815572256 627686270 /nfs/dbraw/zinc/68/62/70/627686270.db2.gz YLFYJAMSPZONJC-MNOVXSKESA-N 0 0 305.340 3.469 20 10 DGCDRN C[C@H]([NH2+]C[C@@]1(C)CCOC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815579182 627687148 /nfs/dbraw/zinc/68/71/48/627687148.db2.gz HCSCNZDWIYHQAK-IINYFYTJSA-N 0 0 303.324 3.488 20 10 DGCDRN C[C@@H]([NH2+]CCN1CC[C@@H](C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815585989 627688414 /nfs/dbraw/zinc/68/84/14/627688414.db2.gz WTXZRCBLMLRZMD-VXGBXAGGSA-N 0 0 316.367 3.403 20 10 DGCDRN C[C@@H]([NH2+][C@H](CCO)C1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815594760 627689141 /nfs/dbraw/zinc/68/91/41/627689141.db2.gz XMWNUPAIEKBQCQ-NOZJJQNGSA-N 0 0 303.324 3.223 20 10 DGCDRN Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]CCN1CCC1 ZINC000815598261 627689697 /nfs/dbraw/zinc/68/96/97/627689697.db2.gz QGDJVXBYZSFRKU-IBGZPJMESA-N 0 0 310.441 3.361 20 10 DGCDRN COc1nn(C)cc1N[C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815619032 627691634 /nfs/dbraw/zinc/69/16/34/627691634.db2.gz AIKXVJYCBSYWQD-MRVPVSSYSA-N 0 0 315.295 3.326 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1cccc(C(F)(F)F)c1[O-] ZINC000815621572 627691743 /nfs/dbraw/zinc/69/17/43/627691743.db2.gz XPAPSGYRVDIIBG-NRUUGDAUSA-N 0 0 303.324 3.487 20 10 DGCDRN CCCc1nc(C)c(C(=O)N[C@H](C)c2cc(OC)ccc2O)o1 ZINC000815835139 627707182 /nfs/dbraw/zinc/70/71/82/627707182.db2.gz KZUUVXSJOUQQIL-SNVBAGLBSA-N 0 0 318.373 3.141 20 10 DGCDRN Cc1cc(C(=O)OC[C@H]2CC2(F)F)c(C)n1-c1ccccn1 ZINC000816421226 627784945 /nfs/dbraw/zinc/78/49/45/627784945.db2.gz KASNMZRGFAIGPW-GFCCVEGCSA-N 0 0 306.312 3.301 20 10 DGCDRN CCOC(=O)CC[N@H+](Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC000816497033 627796991 /nfs/dbraw/zinc/79/69/91/627796991.db2.gz JYYUMRMNHQLSKE-UHFFFAOYSA-N 0 0 315.772 3.102 20 10 DGCDRN CC(C)(C)C[N@H+](CCCO)Cc1cc(Cl)c(F)cc1[O-] ZINC000816505496 627798549 /nfs/dbraw/zinc/79/85/49/627798549.db2.gz YKBCKZQULUQBFA-UHFFFAOYSA-N 0 0 303.805 3.415 20 10 DGCDRN Oc1c(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)ccc2ccccc21 ZINC000816520603 627801227 /nfs/dbraw/zinc/80/12/27/627801227.db2.gz SVYIMJYLBLEAMR-IAGOWNOFSA-N 0 0 315.438 3.252 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000816530926 627802967 /nfs/dbraw/zinc/80/29/67/627802967.db2.gz AIFXARGTBKNNND-NSHDSACASA-N 0 0 323.751 3.114 20 10 DGCDRN CC(=O)Nc1cccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])c1 ZINC000816535512 627803423 /nfs/dbraw/zinc/80/34/23/627803423.db2.gz QTKYLLZYDAKMEZ-UHFFFAOYSA-N 0 0 322.767 3.433 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H](CO)Cc1ccccc1 ZINC000816538188 627804073 /nfs/dbraw/zinc/80/40/73/627804073.db2.gz IZQPKMSWQUFAAF-CYBMUJFWSA-N 0 0 323.795 3.126 20 10 DGCDRN O=[N+]([O-])c1ccccc1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816535908 627804180 /nfs/dbraw/zinc/80/41/80/627804180.db2.gz FNXRKTRHOHBCEU-UHFFFAOYSA-N 0 0 310.712 3.383 20 10 DGCDRN COc1nc(C)cc(C)c1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816546350 627804629 /nfs/dbraw/zinc/80/46/29/627804629.db2.gz HOBHQMVXSVWONZ-UHFFFAOYSA-N 0 0 324.783 3.495 20 10 DGCDRN COc1ccc(CNC(=O)c2ccn(C(C)C)c2C)c(O)c1 ZINC000816549855 627805769 /nfs/dbraw/zinc/80/57/69/627805769.db2.gz AIENDFOMGQFAEM-UHFFFAOYSA-N 0 0 302.374 3.022 20 10 DGCDRN COc1ccc(CNC(=O)c2ccc3cc(C)ccc3n2)c(O)c1 ZINC000816549916 627805774 /nfs/dbraw/zinc/80/57/74/627805774.db2.gz CKVSDQZHEKJEPR-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H](O)c1ccsc1 ZINC000816552175 627806200 /nfs/dbraw/zinc/80/62/00/627806200.db2.gz CRMUKARMCDEPDN-ZDUSSCGKSA-N 0 0 301.770 3.069 20 10 DGCDRN CC(C)(C)OC(=O)CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816553045 627806861 /nfs/dbraw/zinc/80/68/61/627806861.db2.gz GFMWTFNOUCVPIH-UHFFFAOYSA-N 0 0 303.761 3.006 20 10 DGCDRN C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816559223 627807270 /nfs/dbraw/zinc/80/72/70/627807270.db2.gz BVZBXCNOHOXTTC-LKFCYVNXSA-N 0 0 313.756 3.380 20 10 DGCDRN Cn1c(=O)oc2c1cccc2NCc1cc(Cl)c(F)cc1O ZINC000816558588 627807722 /nfs/dbraw/zinc/80/77/22/627807722.db2.gz FJVPFMVOBWEAEN-UHFFFAOYSA-N 0 0 322.723 3.242 20 10 DGCDRN CC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C1CCOCC1 ZINC000816556294 627807778 /nfs/dbraw/zinc/80/77/78/627807778.db2.gz FJULCMJQEUWLTN-AWEZNQCLSA-N 0 0 301.789 3.480 20 10 DGCDRN CC(C)[C@H](O)C(C)(C)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816559666 627807814 /nfs/dbraw/zinc/80/78/14/627807814.db2.gz QVWGIFFRWWJAQL-AWEZNQCLSA-N 0 0 303.805 3.317 20 10 DGCDRN CC(C)(C)[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1O ZINC000816560690 627808151 /nfs/dbraw/zinc/80/81/51/627808151.db2.gz XMVVMXNXNDFUIL-ABAIWWIYSA-N 0 0 315.816 3.414 20 10 DGCDRN CC(C)(C)[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1O ZINC000816560692 627808170 /nfs/dbraw/zinc/80/81/70/627808170.db2.gz XMVVMXNXNDFUIL-NHYWBVRUSA-N 0 0 315.816 3.414 20 10 DGCDRN Cn1c(=O)oc2cc(NCc3cc(Cl)c(F)cc3O)ccc21 ZINC000816563672 627808356 /nfs/dbraw/zinc/80/83/56/627808356.db2.gz GLKPRAOZNRWFMM-UHFFFAOYSA-N 0 0 322.723 3.242 20 10 DGCDRN CN(C)CC[N@H+](Cc1cc(Cl)c(F)cc1[O-])C1CCCC1 ZINC000816574829 627810320 /nfs/dbraw/zinc/81/03/20/627810320.db2.gz TVECFOZOPKLNSH-UHFFFAOYSA-N 0 0 314.832 3.491 20 10 DGCDRN Cc1ccc(C[C@@H](CO)[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816588259 627811917 /nfs/dbraw/zinc/81/19/17/627811917.db2.gz JOPNYNMUZNVYRO-AWEZNQCLSA-N 0 0 323.795 3.186 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000816598778 627813185 /nfs/dbraw/zinc/81/31/85/627813185.db2.gz PPQIYILWLNOYLW-LBPRGKRZSA-N 0 0 315.816 3.463 20 10 DGCDRN C[C@@H](CO)[N@@H+](Cc1cc(Cl)c(F)cc1[O-])CC1CCC1 ZINC000816603011 627813435 /nfs/dbraw/zinc/81/34/35/627813435.db2.gz VOGNEDBREFLHKS-JTQLQIEISA-N 0 0 301.789 3.168 20 10 DGCDRN C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816609525 627814958 /nfs/dbraw/zinc/81/49/58/627814958.db2.gz FDWHDAQCYHNREI-ABAIWWIYSA-N 0 0 312.816 3.243 20 10 DGCDRN OC[C@H]1Cc2ccccc2N(Cc2cc(Cl)c(F)cc2O)C1 ZINC000816617017 627815212 /nfs/dbraw/zinc/81/52/12/627815212.db2.gz MALGINHXYWGYKQ-NSHDSACASA-N 0 0 321.779 3.356 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000816649536 627820229 /nfs/dbraw/zinc/82/02/29/627820229.db2.gz BEABRDPSDXYXGM-ZDUSSCGKSA-N 0 0 315.816 3.463 20 10 DGCDRN Cc1cc(Cl)cc(CN2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1O ZINC000816666001 627822512 /nfs/dbraw/zinc/82/25/12/627822512.db2.gz BPDCOODJUAGWLO-IRXDYDNUSA-N 0 0 307.821 3.497 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)/C=C/COc2ccccc2)cc1 ZINC000816822260 627833376 /nfs/dbraw/zinc/83/33/76/627833376.db2.gz FPKSOLYPYOKZSK-JXMROGBWSA-N 0 0 324.424 3.346 20 10 DGCDRN COc1ncc(/C=C\C(=O)N2CC(C)(C)Cc3ccccc32)cn1 ZINC000816902623 627838306 /nfs/dbraw/zinc/83/83/06/627838306.db2.gz YQTGLFYQPGUCST-HJWRWDBZSA-N 0 0 323.396 3.114 20 10 DGCDRN Cc1cc(NC(=O)N(C)Cc2ccccc2O)nn1C(C)C ZINC000817359350 627888145 /nfs/dbraw/zinc/88/81/45/627888145.db2.gz QPJHJMCZDGYCJV-UHFFFAOYSA-N 0 0 302.378 3.142 20 10 DGCDRN COCCOCCOc1ccc(N2CCCCC2)c(Cl)c1 ZINC000817381660 627891663 /nfs/dbraw/zinc/89/16/63/627891663.db2.gz IQJRFYQYMYDKBE-UHFFFAOYSA-N 0 0 313.825 3.372 20 10 DGCDRN Cc1ccc(C(=O)NC2CC2)cc1NCc1cc(F)ccc1O ZINC000817406500 627893906 /nfs/dbraw/zinc/89/39/06/627893906.db2.gz UBWWEJLXHABBRS-UHFFFAOYSA-N 0 0 314.360 3.344 20 10 DGCDRN Cc1c(NCc2cc3c(cc2O)OCO3)cccc1N(C)C ZINC000817405829 627894066 /nfs/dbraw/zinc/89/40/66/627894066.db2.gz JTPBFTPEPHFBOO-UHFFFAOYSA-N 0 0 300.358 3.107 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)[C@]2(C)CC2(F)F)C2CC2)cc1 ZINC000817427188 627899397 /nfs/dbraw/zinc/89/93/97/627899397.db2.gz JHLNKMZZHASRHJ-INIZCTEOSA-N 0 0 308.372 3.289 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2ccc(C(C)(C)C)cn2)c1 ZINC000817549890 627918814 /nfs/dbraw/zinc/91/88/14/627918814.db2.gz OVWSANHUJQVSSO-UHFFFAOYSA-N 0 0 314.385 3.023 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2Cc3cccc(F)c3C2)cc1OC ZINC000840343440 627930049 /nfs/dbraw/zinc/93/00/49/627930049.db2.gz VGLUGVOJOQDUCS-UHFFFAOYSA-N 0 0 318.304 3.271 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H](O)CC[C@H]2C)cc1 ZINC000817645716 627933550 /nfs/dbraw/zinc/93/35/50/627933550.db2.gz CLCOQPXMWSMBHV-FZKQIMNGSA-N 0 0 312.413 3.080 20 10 DGCDRN Cc1cnc(CNC(=O)NCc2cc(Cl)ccc2O)c(C)c1 ZINC000926765758 627949322 /nfs/dbraw/zinc/94/93/22/627949322.db2.gz KQRMWXGTBTXWGN-UHFFFAOYSA-N 0 0 319.792 3.057 20 10 DGCDRN Cc1cc(CN[C@@H](C)c2cnn(C)n2)c(C)n1-c1cccc(C)c1 ZINC000926765648 627949434 /nfs/dbraw/zinc/94/94/34/627949434.db2.gz XZZMTQPKIJTVQO-HNNXBMFYSA-N 0 0 323.444 3.382 20 10 DGCDRN Cc1ccc(/C=C\C(=O)N2CCc3c2c(F)ccc3F)cn1 ZINC000817827964 627950623 /nfs/dbraw/zinc/95/06/23/627950623.db2.gz XRKFVMJIJAWHJK-DAXSKMNVSA-N 0 0 300.308 3.271 20 10 DGCDRN C[C@@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000817881456 627952649 /nfs/dbraw/zinc/95/26/49/627952649.db2.gz TZDDHBDMMOUCED-WBVHZDCISA-N 0 0 316.445 3.362 20 10 DGCDRN C[C@@H]1CCCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000817905561 627957708 /nfs/dbraw/zinc/95/77/08/627957708.db2.gz OVYJDRNUOMORFH-GFCCVEGCSA-N 0 0 315.442 3.188 20 10 DGCDRN CC(C)CCN(C)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817911592 627959259 /nfs/dbraw/zinc/95/92/59/627959259.db2.gz ATBJSKIKRFLXJR-UHFFFAOYSA-N 0 0 317.458 3.434 20 10 DGCDRN C[C@H](CNC(=O)c1csc(Cc2ccc(N)cc2)n1)C1CC1 ZINC000817926769 627963747 /nfs/dbraw/zinc/96/37/47/627963747.db2.gz VEZNSXJELYRHKD-LLVKDONJSA-N 0 0 315.442 3.092 20 10 DGCDRN CCN(C(=O)c1csc(Cc2ccc(N)cc2)n1)C1CCC1 ZINC000817950041 627972583 /nfs/dbraw/zinc/97/25/83/627972583.db2.gz QTZAJWCSMODYCZ-UHFFFAOYSA-N 0 0 315.442 3.331 20 10 DGCDRN C[C@H](NCC(F)(F)CN)c1ccc(N2CCCCCC2)cc1 ZINC000817965826 627978074 /nfs/dbraw/zinc/97/80/74/627978074.db2.gz CPLWEXUMTJCNSG-AWEZNQCLSA-N 0 0 311.420 3.312 20 10 DGCDRN CC(C)C[C@@H](C)NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817997470 627985082 /nfs/dbraw/zinc/98/50/82/627985082.db2.gz QJDYALIFPMWADY-GFCCVEGCSA-N 0 0 317.458 3.481 20 10 DGCDRN CC[C@H]([NH2+]CC1CC2(C1)OCCO2)c1cccc(Cl)c1[O-] ZINC000927002398 627995624 /nfs/dbraw/zinc/99/56/24/627995624.db2.gz VFHDLRQJCGGZLV-AWEZNQCLSA-N 0 0 311.809 3.239 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2C[C@]2(F)c2ccccc2)c1 ZINC000818230256 628007332 /nfs/dbraw/zinc/00/73/32/628007332.db2.gz OXLKQMOHEOUWOH-CVEARBPZSA-N 0 0 302.305 3.027 20 10 DGCDRN CCOCCOCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000927086117 628010941 /nfs/dbraw/zinc/01/09/41/628010941.db2.gz DACMPHZCTXXVEE-LLVKDONJSA-N 0 0 321.339 3.115 20 10 DGCDRN Cc1ccccc1C(C)(C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000818336494 628014633 /nfs/dbraw/zinc/01/46/33/628014633.db2.gz AKNWJKGAYRNIKR-PKNBQFBNSA-N 0 0 311.381 3.471 20 10 DGCDRN CC[C@H]([NH2+]Cc1cc(C2CC2)nn1C)c1ccc(F)cc1[O-] ZINC000927102537 628014955 /nfs/dbraw/zinc/01/49/55/628014955.db2.gz SLBDXTDEUWBDDF-HNNXBMFYSA-N 0 0 303.381 3.383 20 10 DGCDRN COC(=O)c1cnc([C@@H](C)N[C@@H](C)c2ccc(F)cc2O)s1 ZINC000818355874 628017530 /nfs/dbraw/zinc/01/75/30/628017530.db2.gz KJRJERYOXDVQRX-DTWKUNHWSA-N 0 0 324.377 3.186 20 10 DGCDRN Cc1cc(C(=O)O[C@H]2CCSC2)c(C)n1-c1ccccn1 ZINC000103827866 628023279 /nfs/dbraw/zinc/02/32/79/628023279.db2.gz HPFHSHHGTDOIRI-ZDUSSCGKSA-N 0 0 302.399 3.151 20 10 DGCDRN C[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1O)c1ccc(F)cc1[O-] ZINC000927138598 628024229 /nfs/dbraw/zinc/02/42/29/628024229.db2.gz FIMDYSBXEDJFST-LSKLOWJMSA-N 0 0 301.361 3.230 20 10 DGCDRN Cc1ccccc1C1(C(=O)NCCc2ccc(N)cc2)CCC1 ZINC000818545024 628033420 /nfs/dbraw/zinc/03/34/20/628033420.db2.gz BFDYZNUXVNWTMD-UHFFFAOYSA-N 0 0 308.425 3.358 20 10 DGCDRN C[C@@H](CC(=O)NCCc1ccc(N)cc1)c1ccc(F)cc1F ZINC000818545168 628033547 /nfs/dbraw/zinc/03/35/47/628033547.db2.gz MLVXTGLOABOEBH-LBPRGKRZSA-N 0 0 318.367 3.400 20 10 DGCDRN COc1ccc(C[C@H](C)C(=O)Nc2ccc(N)cc2)cc1OC ZINC000818556250 628035533 /nfs/dbraw/zinc/03/55/33/628035533.db2.gz DVSMCMDBTJVQTB-LBPRGKRZSA-N 0 0 314.385 3.103 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)/C=C/[C@H]1CCCO1 ZINC000819137675 628098322 /nfs/dbraw/zinc/09/83/22/628098322.db2.gz HBLCKNUEXMBJQQ-IENJSVCTSA-N 0 0 316.445 3.225 20 10 DGCDRN Cc1ccc([C@H](C)N2C(=O)CN(Cc3ccccc3O)C2=O)cc1 ZINC000819165955 628103844 /nfs/dbraw/zinc/10/38/44/628103844.db2.gz IOUKUXBBEDFUTN-AWEZNQCLSA-N 0 0 324.380 3.226 20 10 DGCDRN CC[C@@H]1CCC[C@H](N2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000819169164 628104524 /nfs/dbraw/zinc/10/45/24/628104524.db2.gz XSNRUQAZCLSYIF-HIFRSBDPSA-N 0 0 316.401 3.125 20 10 DGCDRN C[C@@H]1C[C@H](C)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000928186619 628121369 /nfs/dbraw/zinc/12/13/69/628121369.db2.gz PWTJNORPNSATKT-VXGBXAGGSA-N 0 0 302.378 3.357 20 10 DGCDRN COCCCOc1ccccc1NC[C@@H](O)Cc1ccccc1 ZINC000819421432 628151920 /nfs/dbraw/zinc/15/19/20/628151920.db2.gz JDQNQWMQFUBKOZ-KRWDZBQOSA-N 0 0 315.413 3.117 20 10 DGCDRN CCC(C)(C)CC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819583853 628171423 /nfs/dbraw/zinc/17/14/23/628171423.db2.gz ASCYKKOGCIPGFV-HNNXBMFYSA-N 0 0 318.461 3.464 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNC(=O)C(C)=C3CCC3)C2)cc1 ZINC000819586619 628171520 /nfs/dbraw/zinc/17/15/20/628171520.db2.gz BTGUTTQHUSUQLG-HNNXBMFYSA-N 0 0 314.429 3.138 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)CCCC3CC3)C2)cc1 ZINC000819591916 628172151 /nfs/dbraw/zinc/17/21/51/628172151.db2.gz XTLUGIFCKBZWRR-MRXNPFEDSA-N 0 0 316.445 3.218 20 10 DGCDRN Cc1ccccc1CO[C@@H](C)C(=O)NCc1c(O)cccc1F ZINC000928708180 628179860 /nfs/dbraw/zinc/17/98/60/628179860.db2.gz AUZCAQXCQOJOSL-ZDUSSCGKSA-N 0 0 317.360 3.061 20 10 DGCDRN O=C(CC[C@H]1CC1(Cl)Cl)NCc1c(O)cccc1F ZINC000928709760 628180369 /nfs/dbraw/zinc/18/03/69/628180369.db2.gz FRDQBDSTNOPFHR-QMMMGPOBSA-N 0 0 306.164 3.122 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCCC(F)(F)C1 ZINC000819756076 628186313 /nfs/dbraw/zinc/18/63/13/628186313.db2.gz QSDALWHQFHLTPT-NSHDSACASA-N 0 0 318.360 3.320 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)C(=O)OC(C)(C)C ZINC000840397182 628186585 /nfs/dbraw/zinc/18/65/85/628186585.db2.gz TVMBHSMDZPRJOQ-CYBMUJFWSA-N 0 0 321.417 3.109 20 10 DGCDRN COc1ccc(N2CC[C@H](CNc3ncc(C)s3)C2)cc1 ZINC000819935993 628201404 /nfs/dbraw/zinc/20/14/04/628201404.db2.gz PRWHKYMDWVUMHW-CYBMUJFWSA-N 0 0 303.431 3.399 20 10 DGCDRN CS[C@H]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000820077204 628221816 /nfs/dbraw/zinc/22/18/16/628221816.db2.gz VTEXKNLAYJGFJX-STQMWFEESA-N 0 0 320.418 3.253 20 10 DGCDRN CN(Cc1nncs1)Cc1ccc(N2CCCCC2)cc1 ZINC000929183561 628222007 /nfs/dbraw/zinc/22/20/07/628222007.db2.gz BKVLTLUNVOZMPB-UHFFFAOYSA-N 0 0 302.447 3.160 20 10 DGCDRN CC(C)[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CCS1 ZINC000820402091 628253462 /nfs/dbraw/zinc/25/34/62/628253462.db2.gz HWMRFSUYWBMRAX-CYBMUJFWSA-N 0 0 320.418 3.063 20 10 DGCDRN Cc1cc(C(=O)Nc2c(C)[nH][nH]c2=O)c(C)n1-c1cccc(C)c1 ZINC000820402275 628253741 /nfs/dbraw/zinc/25/37/41/628253741.db2.gz JJYJPKSYGUYYCM-UHFFFAOYSA-N 0 0 324.384 3.392 20 10 DGCDRN CCSCC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820417634 628255501 /nfs/dbraw/zinc/25/55/01/628255501.db2.gz DCTLSCGZTQIWJU-JTQLQIEISA-N 0 0 308.407 3.111 20 10 DGCDRN CC[C@@H]1CCC[C@@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000822197213 628429004 /nfs/dbraw/zinc/42/90/04/628429004.db2.gz QGFVVDXERRSVIY-QAPCUYQASA-N 0 0 316.445 3.170 20 10 DGCDRN COc1ccc(N2CCN(C(=O)[C@]3(C)CCC[C@@H]3C)CC2)cc1 ZINC000822197192 628429058 /nfs/dbraw/zinc/42/90/58/628429058.db2.gz PHCZNXAWGYTSLM-HNAYVOBHSA-N 0 0 316.445 3.170 20 10 DGCDRN COc1ccc(N2CCN(C(=O)[C@@]3(C)CCC[C@H]3C)CC2)cc1 ZINC000822197190 628429084 /nfs/dbraw/zinc/42/90/84/628429084.db2.gz PHCZNXAWGYTSLM-BEFAXECRSA-N 0 0 316.445 3.170 20 10 DGCDRN COc1ccc(N2CCN(C(=O)[C@]3(C)CCC[C@H]3C)CC2)cc1 ZINC000822197191 628429138 /nfs/dbraw/zinc/42/91/38/628429138.db2.gz PHCZNXAWGYTSLM-DNVCBOLYSA-N 0 0 316.445 3.170 20 10 DGCDRN Cc1cc(CCNC(=O)[C@H]2CC2(F)F)c(C)n1-c1ccccc1 ZINC000822274063 628435053 /nfs/dbraw/zinc/43/50/53/628435053.db2.gz NRGNFRRJNCBTCT-MRXNPFEDSA-N 0 0 318.367 3.408 20 10 DGCDRN C[N@H+](Cc1cccc(Cl)c1[O-])C[C@](C)(O)c1ccccc1 ZINC000822516951 628459964 /nfs/dbraw/zinc/45/99/64/628459964.db2.gz RLOFKANCJDYURL-KRWDZBQOSA-N 0 0 305.805 3.385 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCCC[C@@H]2C(F)F)cc1 ZINC000822708391 628482677 /nfs/dbraw/zinc/48/26/77/628482677.db2.gz JMTUUKUMVXZIHA-LLVKDONJSA-N 0 0 310.304 3.109 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NCC2CCC(F)(F)CC2)cc1 ZINC000822713703 628483057 /nfs/dbraw/zinc/48/30/57/628483057.db2.gz YAHGGOXNDCYCPV-UHFFFAOYSA-N 0 0 324.331 3.404 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000822718101 628484097 /nfs/dbraw/zinc/48/40/97/628484097.db2.gz ZOBVSEAMOPUGOJ-MUJYYYPQSA-N 0 0 301.434 3.131 20 10 DGCDRN CCC[C@@H](OC)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000822819685 628498489 /nfs/dbraw/zinc/49/84/89/628498489.db2.gz YBBMXWKGFLBZGJ-QGZVFWFLSA-N 0 0 304.434 3.108 20 10 DGCDRN CN(C(=O)c1ccc(N=NC(N)=O)cc1)C1CCC(F)(F)CC1 ZINC000822959438 628513565 /nfs/dbraw/zinc/51/35/65/628513565.db2.gz KPRPGMSWZRFXBA-UHFFFAOYSA-N 0 0 324.331 3.499 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC2CCC(C(F)F)CC2)cc1 ZINC000823535142 628573427 /nfs/dbraw/zinc/57/34/27/628573427.db2.gz ZPOFLFUPNZYOMZ-UHFFFAOYSA-N 0 0 324.331 3.403 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC(C2CC2)C1 ZINC000840481388 628583238 /nfs/dbraw/zinc/58/32/38/628583238.db2.gz DHZSJLBHYJKZAB-AWEZNQCLSA-N 0 0 315.461 3.043 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC=C(C)C1 ZINC000840481642 628586316 /nfs/dbraw/zinc/58/63/16/628586316.db2.gz KYZWXUDMFUXLBG-MRXNPFEDSA-N 0 0 315.461 3.354 20 10 DGCDRN CC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CC1(C)C ZINC000823683035 628586426 /nfs/dbraw/zinc/58/64/26/628586426.db2.gz PPJNJLAPQCHKON-STQMWFEESA-N 0 0 302.378 3.404 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@]12CCO[C@@H]1CCCC2 ZINC000823986391 628615831 /nfs/dbraw/zinc/61/58/31/628615831.db2.gz LOSXPIIEGQSYJJ-GDBMZVCRSA-N 0 0 309.793 3.011 20 10 DGCDRN CC(C)[C@@H]1C[C@H](C(=O)NCc2cc(Cl)ccc2O)CCO1 ZINC000823986247 628616231 /nfs/dbraw/zinc/61/62/31/628616231.db2.gz IQDXLJVQAKNHQA-ABAIWWIYSA-N 0 0 311.809 3.113 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1occc1C ZINC000824241428 628642188 /nfs/dbraw/zinc/64/21/88/628642188.db2.gz YTLHZJZAAYONKH-UHFFFAOYSA-N 0 0 300.402 3.245 20 10 DGCDRN C[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CC[N@@H+](C2CC2)C1 ZINC000824445614 628661257 /nfs/dbraw/zinc/66/12/57/628661257.db2.gz HNYDUCDEDMTPQX-NSHDSACASA-N 0 0 312.816 3.101 20 10 DGCDRN Cc1nc(NCc2ccc(N(C)C)cc2)ccc1-c1cnn(C)c1 ZINC000824445779 628661418 /nfs/dbraw/zinc/66/14/18/628661418.db2.gz NIQFCRGGNKQILW-UHFFFAOYSA-N 0 0 321.428 3.469 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C2CCC1CC2 ZINC000840487688 628663366 /nfs/dbraw/zinc/66/33/66/628663366.db2.gz HLZOZOCANCCNHV-OOHWJJMZSA-N 0 0 315.461 3.328 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)C[C@@H]3CC=CCC3)C2)cc1 ZINC000824729526 628687705 /nfs/dbraw/zinc/68/77/05/628687705.db2.gz WUBWWIHZBBYFJI-CVEARBPZSA-N 0 0 314.429 3.137 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000824845088 628699631 /nfs/dbraw/zinc/69/96/31/628699631.db2.gz HNXBHQFEEQAMJC-LRDDRELGSA-N 0 0 313.800 3.071 20 10 DGCDRN CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000824861505 628701308 /nfs/dbraw/zinc/70/13/08/628701308.db2.gz MKCWDZFNOPOUFU-OCCSQVGLSA-N 0 0 311.809 3.257 20 10 DGCDRN CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000825041022 628720189 /nfs/dbraw/zinc/72/01/89/628720189.db2.gz YXERQYJIYZFMFX-SKDRFNHKSA-N 0 0 315.772 3.006 20 10 DGCDRN Cc1cccc(CN2CCOC[C@@H]2c2ccc(F)cc2)c1O ZINC000825045690 628720667 /nfs/dbraw/zinc/72/06/67/628720667.db2.gz JKAJRYJYJBQGCN-QGZVFWFLSA-N 0 0 301.361 3.413 20 10 DGCDRN CC(C)[N@@H+]1CC[C@@H](N(C)Cc2c([O-])ccc(Cl)c2F)C1 ZINC000825337238 628751544 /nfs/dbraw/zinc/75/15/44/628751544.db2.gz FESDDSAJZKQMAB-LLVKDONJSA-N 0 0 300.805 3.099 20 10 DGCDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1cnn2c1CCC2 ZINC000825510073 628770364 /nfs/dbraw/zinc/77/03/64/628770364.db2.gz WHUXSMDIAOLYOL-UHFFFAOYSA-N 0 0 319.355 3.384 20 10 DGCDRN C/C(=C\C(=O)N1CCCc2c(C)cc(C)cc21)c1cnccn1 ZINC000825652039 628782211 /nfs/dbraw/zinc/78/22/11/628782211.db2.gz AFGHYYNIIUGJBX-RVDMUPIBSA-N 0 0 307.397 3.476 20 10 DGCDRN COc1cccc(CNC(=O)c2cccc3c2CCCC3)c1O ZINC000825703529 628787502 /nfs/dbraw/zinc/78/75/02/628787502.db2.gz WOGMGZLVDHPJDZ-UHFFFAOYSA-N 0 0 311.381 3.210 20 10 DGCDRN O=C(NCCCSc1nccs1)c1cncc(Cl)c1 ZINC000825823131 628800803 /nfs/dbraw/zinc/80/08/03/628800803.db2.gz RXYJFVDPXUAYFG-UHFFFAOYSA-N 0 0 313.835 3.104 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2ccc(C)c3c2CCC3)c1 ZINC000825839760 628802455 /nfs/dbraw/zinc/80/24/55/628802455.db2.gz OICPSDJATXMCFP-UHFFFAOYSA-N 0 0 311.381 3.128 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CCCC(=O)C(C)(C)C ZINC000825873223 628805759 /nfs/dbraw/zinc/80/57/59/628805759.db2.gz IDJOFNLAQNEVGP-UHFFFAOYSA-N 0 0 318.461 3.463 20 10 DGCDRN Cc1noc([C@@H]2CCCN2Cc2cc(Cl)c(C)cc2O)n1 ZINC000825899767 628809314 /nfs/dbraw/zinc/80/93/14/628809314.db2.gz DVTFHMOBZHQXCQ-ZDUSSCGKSA-N 0 0 307.781 3.383 20 10 DGCDRN C[C@]1(F)CCCN(Cc2ccc(Br)cc2O)C1 ZINC000826030474 628821432 /nfs/dbraw/zinc/82/14/32/628821432.db2.gz ZMTONSZSIXPKKQ-ZDUSSCGKSA-N 0 0 302.187 3.479 20 10 DGCDRN COc1ccc2c(c1)N(C(=O)/C=C\c1cccnc1C)C[C@H](C)O2 ZINC000826562393 628859733 /nfs/dbraw/zinc/85/97/33/628859733.db2.gz LONOACGZPHRAPE-XURPKSDJSA-N 0 0 324.380 3.226 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000827172351 628931852 /nfs/dbraw/zinc/93/18/52/628931852.db2.gz RIAMONHTGZNRPA-ZBFHGGJFSA-N 0 0 307.752 3.453 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000827316432 628948467 /nfs/dbraw/zinc/94/84/67/628948467.db2.gz AWXPPPKCIXAOFU-HZPDHXFCSA-N 0 0 311.381 3.298 20 10 DGCDRN CO[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])C1CCCC1 ZINC000827608454 628976814 /nfs/dbraw/zinc/97/68/14/628976814.db2.gz NKWQVKINIZLHOO-CQSZACIVSA-N 0 0 301.789 3.480 20 10 DGCDRN Oc1ccc2c(c1)CN(Cc1cc(Cl)ccc1O)CCO2 ZINC000827658108 628980724 /nfs/dbraw/zinc/98/07/24/628980724.db2.gz VJYXRGAJWZPAMF-UHFFFAOYSA-N 0 0 305.761 3.146 20 10 DGCDRN c1cnc2c(n1)CCN(Cc1ccc(N3CCCCC3)cc1)C2 ZINC000827693157 628983540 /nfs/dbraw/zinc/98/35/40/628983540.db2.gz ZAOPLLOXZSGYGL-UHFFFAOYSA-N 0 0 308.429 3.025 20 10 DGCDRN C[C@@H](NC(=O)CCCc1nc2ccccc2[nH]1)c1ccccc1O ZINC000827923094 629003551 /nfs/dbraw/zinc/00/35/51/629003551.db2.gz JHWMVICEJAMGPI-CYBMUJFWSA-N 0 0 323.396 3.469 20 10 DGCDRN Cc1c(C(=O)N[C@H](C)c2ccccc2O)oc2c1C(=O)CCC2 ZINC000827923526 629003768 /nfs/dbraw/zinc/00/37/68/629003768.db2.gz UKNQIPGGZKXBJC-LLVKDONJSA-N 0 0 313.353 3.304 20 10 DGCDRN Cc1nn(C)c2sc(C(=O)N[C@H](C)c3ccccc3O)cc12 ZINC000827922893 629003813 /nfs/dbraw/zinc/00/38/13/629003813.db2.gz CGLOXTSWWBRRQI-SECBINFHSA-N 0 0 315.398 3.140 20 10 DGCDRN Cc1cc(C)n([C@H](C)CC(=O)N[C@H](C)c2ccccc2O)n1 ZINC000827930394 629004689 /nfs/dbraw/zinc/00/46/89/629004689.db2.gz JEBWVANKROJQFJ-ZIAGYGMSSA-N 0 0 301.390 3.034 20 10 DGCDRN CCc1c(C(=O)N[C@H](C)c2ccccc2O)cnn1C(C)(C)C ZINC000827930589 629004953 /nfs/dbraw/zinc/00/49/53/629004953.db2.gz LVSPBNJOMTZQSI-GFCCVEGCSA-N 0 0 315.417 3.397 20 10 DGCDRN CC(C)Oc1cncc(C(=O)N[C@H](C)c2ccccc2O)c1 ZINC000827940344 629006138 /nfs/dbraw/zinc/00/61/38/629006138.db2.gz BCOBGTYCDLNLRI-GFCCVEGCSA-N 0 0 300.358 3.065 20 10 DGCDRN CO[C@@](C)(C(=O)N[C@H](C)c1ccccc1O)c1ccccc1F ZINC000827946264 629006452 /nfs/dbraw/zinc/00/64/52/629006452.db2.gz BTUKOLSBFNRNEJ-KZULUSFZSA-N 0 0 317.360 3.270 20 10 DGCDRN CC[C@](O)(CC(=O)N[C@H](C)c1ccccc1O)c1ccccc1 ZINC000827952419 629006925 /nfs/dbraw/zinc/00/69/25/629006925.db2.gz RNGFOCCZDKADDF-KUHUBIRLSA-N 0 0 313.397 3.257 20 10 DGCDRN C[C@@H](NC(=O)C1CCC(C(C)(C)O)CC1)c1ccccc1O ZINC000827952237 629007079 /nfs/dbraw/zinc/00/70/79/629007079.db2.gz KQUKNTAIQVTQQZ-IYXRBSQSSA-N 0 0 305.418 3.147 20 10 DGCDRN C[C@@H](NC(=O)C1(c2ccc(N(C)C)cc2)CC1)c1ccccc1O ZINC000827952636 629007671 /nfs/dbraw/zinc/00/76/71/629007671.db2.gz ZHHXAFQHAYGBJQ-CQSZACIVSA-N 0 0 324.424 3.367 20 10 DGCDRN C[C@H](COCC(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 ZINC000827960509 629008038 /nfs/dbraw/zinc/00/80/38/629008038.db2.gz QDUZRLLILNXAFK-CABCVRRESA-N 0 0 313.397 3.390 20 10 DGCDRN Cc1ccc(CO[C@@H](C)C(=O)N[C@H](C)c2ccccc2O)cc1 ZINC000827957600 629008341 /nfs/dbraw/zinc/00/83/41/629008341.db2.gz WEXBLLAXRXNODU-CABCVRRESA-N 0 0 313.397 3.483 20 10 DGCDRN C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@@](C)(C(F)F)O1 ZINC000827962088 629008568 /nfs/dbraw/zinc/00/85/68/629008568.db2.gz FSCPUMZUXPYIBU-BZNIZROVSA-N 0 0 316.367 3.136 20 10 DGCDRN Cc1nn(C(C)C)c(C)c1CC(=O)N[C@@H](C)c1ccccc1O ZINC000827964074 629008891 /nfs/dbraw/zinc/00/88/91/629008891.db2.gz GRIOBBJLIFTPSJ-LBPRGKRZSA-N 0 0 315.417 3.206 20 10 DGCDRN C[C@H](NC(=O)[C@@H]1CCCc2c(O)cccc21)c1ccccc1O ZINC000827969440 629009322 /nfs/dbraw/zinc/00/93/22/629009322.db2.gz MJNDDSSLIRTSMU-BLLLJJGKSA-N 0 0 311.381 3.395 20 10 DGCDRN CC(C)Oc1ncccc1C(=O)N[C@@H](C)c1ccccc1O ZINC000827964795 629009473 /nfs/dbraw/zinc/00/94/73/629009473.db2.gz VRRHLTHUSNGSPB-LBPRGKRZSA-N 0 0 300.358 3.065 20 10 DGCDRN COc1ccc(N(Cc2nc(C3CC3)nn2C)CC(C)C)cc1 ZINC000828048628 629018181 /nfs/dbraw/zinc/01/81/81/629018181.db2.gz DFQLANBOWOJJMH-UHFFFAOYSA-N 0 0 314.433 3.364 20 10 DGCDRN Oc1ccccc1C[N@H+](CCC[C@H]1CCOC1)C[C@@H]1CCCO1 ZINC000828062139 629019704 /nfs/dbraw/zinc/01/97/04/629019704.db2.gz BYIDBXQDPYGAFE-WMZOPIPTSA-N 0 0 319.445 3.190 20 10 DGCDRN C[C@H](NC(=O)[C@@]1(C)CCOc2ccccc21)c1ccccc1O ZINC000828539300 629064499 /nfs/dbraw/zinc/06/44/99/629064499.db2.gz KQCOOWXYILVIFD-DJJJIMSYSA-N 0 0 311.381 3.310 20 10 DGCDRN CCn1nnc(C)c1CSc1ncc(-c2ccccc2)n1C ZINC000828808695 629095727 /nfs/dbraw/zinc/09/57/27/629095727.db2.gz VRTQLOLNAYNIEX-UHFFFAOYSA-N 0 0 313.430 3.299 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2C[C@@H]3CCCC[C@@H]3C2)cc1OC ZINC000828948184 629112024 /nfs/dbraw/zinc/11/20/24/629112024.db2.gz YFIQAYVLDZRAEF-TXEJJXNPSA-N 0 0 306.362 3.238 20 10 DGCDRN CN(CC[S@@](C)=O)c1ccc(OCc2ccccc2)cc1 ZINC000829092753 629128683 /nfs/dbraw/zinc/12/86/83/629128683.db2.gz NFTOFECWPCEKRG-OAQYLSRUSA-N 0 0 303.427 3.080 20 10 DGCDRN Cc1cc(CN(CCO)CC(F)F)ccc1N1CCCCC1 ZINC000829352283 629152295 /nfs/dbraw/zinc/15/22/95/629152295.db2.gz BIXSFMDSXCFERN-UHFFFAOYSA-N 0 0 312.404 3.045 20 10 DGCDRN Cc1cnc(CNC(=O)Cc2cc(C)n(-c3ccccc3)c2C)o1 ZINC000829388305 629154680 /nfs/dbraw/zinc/15/46/80/629154680.db2.gz LRJAUOPEUNBDLX-UHFFFAOYSA-N 0 0 323.396 3.249 20 10 DGCDRN Cc1cc(CC(=O)N2C[C@H]3CC[C@@H](C2)O3)c(C)n1-c1ccccc1 ZINC000829395927 629155230 /nfs/dbraw/zinc/15/52/30/629155230.db2.gz XHAYDOSXLPUZCJ-KDURUIRLSA-N 0 0 324.424 3.026 20 10 DGCDRN COc1ccc(C2CCN(C(=O)C3=CC(=O)CS3)CC2)cc1 ZINC000829395407 629155404 /nfs/dbraw/zinc/15/54/04/629155404.db2.gz UBYOTNIRDOHYKS-UHFFFAOYSA-N 0 0 317.410 3.482 20 10 DGCDRN COC(=O)c1cnc(SC2CC(OC(C)(C)C)C2)s1 ZINC000829678084 629181500 /nfs/dbraw/zinc/18/15/00/629181500.db2.gz YKULVFIMRCXTCC-UHFFFAOYSA-N 0 0 301.433 3.368 20 10 DGCDRN COC(=O)c1cnc(SCc2nnc(C(C)C)s2)s1 ZINC000829677856 629181610 /nfs/dbraw/zinc/18/16/10/629181610.db2.gz OVXCZMUYCKBCJE-UHFFFAOYSA-N 0 0 315.445 3.197 20 10 DGCDRN Cc1cc(NS(=O)(=O)c2ccc(OC3CC3)cc2)ccc1O ZINC000829893434 629206441 /nfs/dbraw/zinc/20/64/41/629206441.db2.gz USKIALGBRREQKC-UHFFFAOYSA-N 0 0 319.382 3.043 20 10 DGCDRN CCOc1ccc(O)c(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1 ZINC000830085389 629223785 /nfs/dbraw/zinc/22/37/85/629223785.db2.gz VRXSHUOWUWSTFA-WQVCFCJDSA-N 0 0 319.401 3.009 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)CC[C@H]1CC1(Cl)Cl ZINC000830141756 629229865 /nfs/dbraw/zinc/22/98/65/629229865.db2.gz XWZFOXHDWOVKJX-NSHDSACASA-N 0 0 302.201 3.325 20 10 DGCDRN O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)NCc1cccc(Br)c1O ZINC000830529107 629281372 /nfs/dbraw/zinc/28/13/72/629281372.db2.gz DBCSLFHCVLMVOZ-SCVCMEIPSA-N 0 0 324.218 3.207 20 10 DGCDRN O=C(C[C@@H]1CC[C@H]2C[C@H]21)NCc1cccc(Br)c1O ZINC000830529103 629281391 /nfs/dbraw/zinc/28/13/91/629281391.db2.gz DBCSLFHCVLMVOZ-JBLDHEPKSA-N 0 0 324.218 3.207 20 10 DGCDRN CC1(C)C[C@@]1(C(=O)NCc1ccc(O)c(O)c1)c1ccccc1 ZINC000830558931 629283902 /nfs/dbraw/zinc/28/39/02/629283902.db2.gz DUUQZGYQMMEWDP-IBGZPJMESA-N 0 0 311.381 3.082 20 10 DGCDRN CN(C)c1ccc(C[N@H+](C)Cc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000830830646 629309343 /nfs/dbraw/zinc/30/93/43/629309343.db2.gz KWAXZLATPLJQMU-UHFFFAOYSA-N 0 0 316.376 3.222 20 10 DGCDRN CC1(C)CC[C@H]1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000830899528 629318545 /nfs/dbraw/zinc/31/85/45/629318545.db2.gz GNQPFGYWYXHEAH-CVEARBPZSA-N 0 0 317.429 3.336 20 10 DGCDRN O=C(NCC1CC(c2ccccc2)C1)c1c(F)ccc(O)c1O ZINC000831438771 629377893 /nfs/dbraw/zinc/37/78/93/629377893.db2.gz PZJVGPLZIYIUSO-UHFFFAOYSA-N 0 0 315.344 3.161 20 10 DGCDRN COc1ccc(N(CC(=O)N[C@@H](C)C(C)C)CC2CC2)cc1 ZINC000831582751 629393462 /nfs/dbraw/zinc/39/34/62/629393462.db2.gz FTLNLIYUFPYGEF-AWEZNQCLSA-N 0 0 304.434 3.072 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)/C=C/[C@H]1CCOC1 ZINC000831909356 629427393 /nfs/dbraw/zinc/42/73/93/629427393.db2.gz LWDPPPWAXYJQTG-HVHJFMEUSA-N 0 0 303.402 3.114 20 10 DGCDRN Nc1ccc(CC(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)cc1 ZINC000832108336 629442495 /nfs/dbraw/zinc/44/24/95/629442495.db2.gz AZDJMONFNXQRMZ-IEBWSBKVSA-N 0 0 308.425 3.339 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCN(C2CC2)c2ccc(F)cc21 ZINC000832426449 629478614 /nfs/dbraw/zinc/47/86/14/629478614.db2.gz ZTQZSRPUBRUVNZ-UHFFFAOYSA-N 0 0 318.373 3.222 20 10 DGCDRN Cc1csc([C@@H](C)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000832431997 629479427 /nfs/dbraw/zinc/47/94/27/629479427.db2.gz XTJMZQRFZHSYIR-QWHCGFSZSA-N 0 0 317.458 3.498 20 10 DGCDRN Cc1csc([C@@H](C)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000832431998 629479541 /nfs/dbraw/zinc/47/95/41/629479541.db2.gz XTJMZQRFZHSYIR-STQMWFEESA-N 0 0 317.458 3.498 20 10 DGCDRN C[C@@H](NC(=O)c1ccc2c(c1)CCOC2)c1ccc(N(C)C)cc1 ZINC000832436877 629480375 /nfs/dbraw/zinc/48/03/75/629480375.db2.gz SARYIHGJESMUJW-CQSZACIVSA-N 0 0 324.424 3.316 20 10 DGCDRN C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCCc2ccc(N)cc2)o1 ZINC000832653129 629502309 /nfs/dbraw/zinc/50/23/09/629502309.db2.gz QBPSPYBBPISCGM-CXAGYDPISA-N 0 0 312.413 3.277 20 10 DGCDRN Cc1cc(C[N@@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000832882527 629527363 /nfs/dbraw/zinc/52/73/63/629527363.db2.gz KABYNORWQPVXBG-OCCSQVGLSA-N 0 0 305.418 3.151 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCn3ccnc32)cc1 ZINC000833303805 629580695 /nfs/dbraw/zinc/58/06/95/629580695.db2.gz AOEZWHKXNNZCLT-QGZVFWFLSA-N 0 0 320.396 3.165 20 10 DGCDRN COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2cc(C)c(C(=O)[O-])o2)c1 ZINC000833733972 629644356 /nfs/dbraw/zinc/64/43/56/629644356.db2.gz XDRUYMJIRQMTRK-WDEREUQCSA-N 0 0 319.357 3.412 20 10 DGCDRN COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2cc(C)c(C(=O)[O-])o2)c1 ZINC000833733970 629644549 /nfs/dbraw/zinc/64/45/49/629644549.db2.gz XDRUYMJIRQMTRK-MNOVXSKESA-N 0 0 319.357 3.412 20 10 DGCDRN O=C([O-])N1CCC([N@H+](Cc2cc(Cl)ccc2O)C2CC2)CC1 ZINC000834081171 629669147 /nfs/dbraw/zinc/66/91/47/629669147.db2.gz DSQILRGJPKOUIA-UHFFFAOYSA-N 0 0 324.808 3.152 20 10 DGCDRN O=C([O-])Nc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000834263058 629682585 /nfs/dbraw/zinc/68/25/85/629682585.db2.gz PDZBMCBPKREKAZ-QGZVFWFLSA-N 0 0 324.380 3.489 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCSC2(CCC2)C1 ZINC000834734148 629769108 /nfs/dbraw/zinc/76/91/08/629769108.db2.gz BXZQJFIRERTNMD-LQPUYASZSA-N 0 0 319.426 3.046 20 10 DGCDRN Cc1ccc(N[C@H]2CCc3cccc(O)c32)cc1N1CCNC1=O ZINC000834787524 629780447 /nfs/dbraw/zinc/78/04/47/629780447.db2.gz OULHRBOCNYYANJ-HNNXBMFYSA-N 0 0 323.396 3.330 20 10 DGCDRN COC[C@](C)(O)CC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000834844726 629788931 /nfs/dbraw/zinc/78/89/31/629788931.db2.gz UFVFYHIFYCECMF-YMTOWFKASA-N 0 0 322.232 3.137 20 10 DGCDRN CO[C@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])Cc1ccccc1 ZINC000834856022 629791445 /nfs/dbraw/zinc/79/14/45/629791445.db2.gz KFIHBPJMJXCOAT-CJNGLKHVSA-N 0 0 303.377 3.440 20 10 DGCDRN CCN(C)c1ccc([C@@H](C)NCc2nn(C)cc2Cl)cc1 ZINC000834881812 629795994 /nfs/dbraw/zinc/79/59/94/629795994.db2.gz BLDRDUOCQZCEMS-GFCCVEGCSA-N 0 0 306.841 3.380 20 10 DGCDRN CCn1ccnc1C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000834880371 629796333 /nfs/dbraw/zinc/79/63/33/629796333.db2.gz WGNKSCSXLVYNHW-JTQLQIEISA-N 0 0 313.323 3.478 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CCCC1(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834887024 629797737 /nfs/dbraw/zinc/79/77/37/629797737.db2.gz XOWSNIUFRCTVFF-UWVGGRQHSA-N 0 0 300.305 3.386 20 10 DGCDRN CC[C@H]([NH2+][C@@H](C)CC(=O)NC)c1cc(Cl)cc(Cl)c1[O-] ZINC000834901567 629803007 /nfs/dbraw/zinc/80/30/07/629803007.db2.gz WASNRZSGGUGERC-UFBFGSQYSA-N 0 0 319.232 3.264 20 10 DGCDRN C[C@H]([NH2+][C@H]1COCC1(C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000834903927 629804130 /nfs/dbraw/zinc/80/41/30/629804130.db2.gz MGZOPFBYMUDYEK-CABZTGNLSA-N 0 0 303.324 3.487 20 10 DGCDRN C[C@H]([NH2+][C@@H]1COCC1(C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000834903929 629804150 /nfs/dbraw/zinc/80/41/50/629804150.db2.gz MGZOPFBYMUDYEK-JOYOIKCWSA-N 0 0 303.324 3.487 20 10 DGCDRN COCC1(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])CCCC1 ZINC000834905087 629804864 /nfs/dbraw/zinc/80/48/64/629804864.db2.gz FICVSZGXWLGBOG-ZDUSSCGKSA-N 0 0 321.417 3.036 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C2CC2)C2CCC2)c1 ZINC000834910602 629806954 /nfs/dbraw/zinc/80/69/54/629806954.db2.gz ILFFLLZRTNIWRU-GTNSWQLSSA-N 0 0 303.402 3.408 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1C[C@@H]2CCCCN2C1=O)c1cccc(Cl)c1[O-] ZINC000834916441 629808292 /nfs/dbraw/zinc/80/82/92/629808292.db2.gz YTHMCLPTDVPVSS-TUKIKUTGSA-N 0 0 322.836 3.240 20 10 DGCDRN COc1ccc(NC/C=C/c2ccc(N(C)C)cc2)cc1CO ZINC000835029975 629829946 /nfs/dbraw/zinc/82/99/46/629829946.db2.gz AAHJWBRPQXSWRP-SNAWJCMRSA-N 0 0 312.413 3.379 20 10 DGCDRN COC[C@H](NC/C=C/c1ccc(N(C)C)cc1)c1ccco1 ZINC000835043599 629833844 /nfs/dbraw/zinc/83/38/44/629833844.db2.gz SOOMPSADASYBSF-YXMMZVCTSA-N 0 0 300.402 3.336 20 10 DGCDRN CN(C)c1ccc(/C=C/CNCc2nccc(C(F)F)n2)cc1 ZINC000835054475 629839001 /nfs/dbraw/zinc/83/90/01/629839001.db2.gz VXKKAAIRXDYRIR-ONEGZZNKSA-N 0 0 318.371 3.283 20 10 DGCDRN Cc1nc(CC(C)C)sc1C(=O)NCc1ccc(N)cc1 ZINC000837303156 630237328 /nfs/dbraw/zinc/23/73/28/630237328.db2.gz WVHZWZDYJOTERP-UHFFFAOYSA-N 0 0 303.431 3.162 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@]2(C)CCCCO2)cc1 ZINC000837320034 630239531 /nfs/dbraw/zinc/23/95/31/630239531.db2.gz CIFQUDMZOLWTBY-IBGZPJMESA-N 0 0 318.461 3.450 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC000837321041 630239555 /nfs/dbraw/zinc/23/95/55/630239555.db2.gz OQVAICVUZGRGGQ-KURKYZTESA-N 0 0 316.445 3.059 20 10 DGCDRN CCC(C)(C)OCC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000837373120 630249568 /nfs/dbraw/zinc/24/95/68/630249568.db2.gz GXVJELUKLWWPEC-UHFFFAOYSA-N 0 0 318.461 3.498 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2[nH]ccc2C2CC2)cc1F ZINC000837379777 630250579 /nfs/dbraw/zinc/25/05/79/630250579.db2.gz YKFAUUXNIUQLEU-UHFFFAOYSA-N 0 0 301.365 3.027 20 10 DGCDRN Cc1cc(CCNC(=O)N(C)CCF)c(C)n1-c1ccccc1 ZINC000837404328 630253417 /nfs/dbraw/zinc/25/34/17/630253417.db2.gz KVPDOQPGGXOOIA-UHFFFAOYSA-N 0 0 317.408 3.248 20 10 DGCDRN C[C@H](CC(F)(F)F)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000837480567 630264602 /nfs/dbraw/zinc/26/46/02/630264602.db2.gz KCXWBLRFTCMDCS-SNVBAGLBSA-N 0 0 315.335 3.476 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1[nH]ccc1C1CC1 ZINC000837481866 630264824 /nfs/dbraw/zinc/26/48/24/630264824.db2.gz UPGXWXLWVLEPIB-UHFFFAOYSA-N 0 0 310.397 3.407 20 10 DGCDRN C[C@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1CCC1 ZINC000837490743 630266237 /nfs/dbraw/zinc/26/62/37/630266237.db2.gz KPAAOELBQMCWOS-YOEHRIQHSA-N 0 0 317.429 3.336 20 10 DGCDRN CCC[C@@H]1CCC[C@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000837831617 630316393 /nfs/dbraw/zinc/31/63/93/630316393.db2.gz HBPPCLHANMBNBA-DGCLKSJQSA-N 0 0 306.358 3.040 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ccc(OCCO)cc1 ZINC000840927296 630379464 /nfs/dbraw/zinc/37/94/64/630379464.db2.gz MHJYKJXZLFBJFS-UHFFFAOYSA-N 0 0 300.402 3.044 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1cccc2c1oc(=O)n2C ZINC000840937779 630380834 /nfs/dbraw/zinc/38/08/34/630380834.db2.gz XSFXFEYQQGKOFP-UHFFFAOYSA-N 0 0 311.385 3.118 20 10 DGCDRN Cc1noc([C@@H]2CCCN2Cc2ccc(N(C)C)cc2C)n1 ZINC000840946570 630381717 /nfs/dbraw/zinc/38/17/17/630381717.db2.gz RUTKZXBXYTUELO-INIZCTEOSA-N 0 0 300.406 3.090 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1CC(C)(C)[C@H]1c1nccn1C ZINC000840951184 630383157 /nfs/dbraw/zinc/38/31/57/630383157.db2.gz TXSPRDILKUGXGA-QGZVFWFLSA-N 0 0 312.461 3.378 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000840959650 630386472 /nfs/dbraw/zinc/38/64/72/630386472.db2.gz ZFBSDZUIIRGGOB-CJNGLKHVSA-N 0 0 321.779 3.493 20 10 DGCDRN C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000840978971 630390431 /nfs/dbraw/zinc/39/04/31/630390431.db2.gz QRIZFIGPTGFYMB-UWVGGRQHSA-N 0 0 304.217 3.292 20 10 DGCDRN O=C([O-])c1cccc(C[NH2+]CCCSc2nccs2)c1 ZINC000840994551 630391893 /nfs/dbraw/zinc/39/18/93/630391893.db2.gz HIASNAPCVZVRPO-UHFFFAOYSA-N 0 0 308.428 3.113 20 10 DGCDRN CN(C)c1ccc(/C=C/C[NH2+][C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000840995942 630392422 /nfs/dbraw/zinc/39/24/22/630392422.db2.gz XCMWEVWULYJASG-AIADIJKESA-N 0 0 324.424 3.051 20 10 DGCDRN Cc1cc(O)c(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1C ZINC000840997406 630393431 /nfs/dbraw/zinc/39/34/31/630393431.db2.gz DKTZJOSPWQZKSA-IMJJTQAJSA-N 0 0 303.402 3.227 20 10 DGCDRN CCCOc1cccc(NC(=O)NCCc2ccc(N)cc2)c1 ZINC000841030158 630398371 /nfs/dbraw/zinc/39/83/71/630398371.db2.gz TZEYCQSCIHEZGV-UHFFFAOYSA-N 0 0 313.401 3.422 20 10 DGCDRN Cc1cc(N(C)C)ccc1NC(=O)NCCc1ccc(N)cc1 ZINC000841037999 630400033 /nfs/dbraw/zinc/40/00/33/630400033.db2.gz FGDGLWWZOQVAAD-UHFFFAOYSA-N 0 0 312.417 3.007 20 10 DGCDRN CC(C)c1ccc([C@@H](N)C[NH2+]Cc2cccc(F)c2[O-])cc1 ZINC000841036780 630400064 /nfs/dbraw/zinc/40/00/64/630400064.db2.gz MKMOKJDKDATFDP-KRWDZBQOSA-N 0 0 302.393 3.444 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)/C=C/COc1ccccc1 ZINC000841120193 630410085 /nfs/dbraw/zinc/41/00/85/630410085.db2.gz DAVOKJNXRWADTN-JXMROGBWSA-N 0 0 324.424 3.312 20 10 DGCDRN CC(C)c1cnc(NC(=O)NCCc2ccc(N)cc2)s1 ZINC000841216902 630417420 /nfs/dbraw/zinc/41/74/20/630417420.db2.gz MMRIGFQEIGNIHP-UHFFFAOYSA-N 0 0 304.419 3.213 20 10 DGCDRN Cc1ccc(C2CCN(C(=O)Nc3ccc(N)cc3)CC2)cn1 ZINC000841295910 630424106 /nfs/dbraw/zinc/42/41/06/630424106.db2.gz JIKYJXINTLJMNC-UHFFFAOYSA-N 0 0 310.401 3.384 20 10 DGCDRN Nc1ccc(NC(=O)NC[C@H]2CCCN(c3ccccc3)C2)cc1 ZINC000841296499 630424163 /nfs/dbraw/zinc/42/41/63/630424163.db2.gz FLVFLLHODJTVCE-OAHLLOKOSA-N 0 0 324.428 3.307 20 10 DGCDRN COc1ccccc1[C@H]1CCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000841300196 630425009 /nfs/dbraw/zinc/42/50/09/630425009.db2.gz MMJPDXGLCRVCDU-ZDUSSCGKSA-N 0 0 311.385 3.299 20 10 DGCDRN CN(C(=O)Nc1ccc(N)cc1)[C@H]1CCCN(c2ccccc2)C1 ZINC000841299403 630425038 /nfs/dbraw/zinc/42/50/38/630425038.db2.gz CEWOLECUMOHLPG-SFHVURJKSA-N 0 0 324.428 3.402 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)C1SCCCS1 ZINC000841402705 630435704 /nfs/dbraw/zinc/43/57/04/630435704.db2.gz GFYYOAHETYPCHD-UHFFFAOYSA-N 0 0 311.472 3.327 20 10 DGCDRN C[C@H]1C[C@H]1c1ccc(CNC(=O)NCCc2ccc(N)cc2)o1 ZINC000841718996 630459162 /nfs/dbraw/zinc/45/91/62/630459162.db2.gz YEEYSFMLSPMLRS-BLLLJJGKSA-N 0 0 313.401 3.027 20 10 DGCDRN CNC(=O)C1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841747682 630461772 /nfs/dbraw/zinc/46/17/72/630461772.db2.gz RYWCTDPFQHQFCL-ZBOXLXRLSA-N 0 0 310.825 3.001 20 10 DGCDRN C[C@H]([NH2+]CCCOC[C@@H]1CCOC1)c1ccc(Cl)cc1[O-] ZINC000841756416 630462949 /nfs/dbraw/zinc/46/29/49/630462949.db2.gz XSYCRAPKZVDKLH-STQMWFEESA-N 0 0 313.825 3.139 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1ccc(Cl)cc1[O-] ZINC000841756859 630462987 /nfs/dbraw/zinc/46/29/87/630462987.db2.gz CTOBWSCSYYYTDE-NEPJUHHUSA-N 0 0 309.793 3.140 20 10 DGCDRN CC[C@@H](CCC(=O)[O-])[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000841810118 630466717 /nfs/dbraw/zinc/46/67/17/630466717.db2.gz FRIJIMAOAWPBLE-AWEZNQCLSA-N 0 0 310.413 3.405 20 10 DGCDRN CC[C@H](CC[NH2+]Cc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000841821236 630469092 /nfs/dbraw/zinc/46/90/92/630469092.db2.gz ZBBFUDRYFREYJV-MRXNPFEDSA-N 0 0 304.434 3.267 20 10 DGCDRN Nc1ccc(CCNC(=O)N[C@@H]2C[C@H]2C2CCCCC2)cc1 ZINC000841836440 630470713 /nfs/dbraw/zinc/47/07/13/630470713.db2.gz OZVXQYBLRLJHRJ-DLBZAZTESA-N 0 0 301.434 3.079 20 10 DGCDRN CCS[C@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841855467 630471579 /nfs/dbraw/zinc/47/15/79/630471579.db2.gz PBTJABCBSPOXRM-HOTGVXAUSA-N 0 0 321.490 3.175 20 10 DGCDRN C[C@H](c1ccco1)N(C(=O)NCCc1ccc(N)cc1)C1CC1 ZINC000841957358 630476891 /nfs/dbraw/zinc/47/68/91/630476891.db2.gz IMPRSMRPUUWQNX-CYBMUJFWSA-N 0 0 313.401 3.340 20 10 DGCDRN CCC[C@@H](C)[C@H]1CCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841956396 630476900 /nfs/dbraw/zinc/47/69/00/630476900.db2.gz ALVUXXCMVGNPJJ-RHSMWYFYSA-N 0 0 303.450 3.422 20 10 DGCDRN CC[C@@H](C)[C@@H](C)N(C(=O)NCCc1ccc(N)cc1)C1CC1 ZINC000841957149 630476928 /nfs/dbraw/zinc/47/69/28/630476928.db2.gz FRYJNDZLNFNMLW-ZIAGYGMSSA-N 0 0 303.450 3.420 20 10 DGCDRN C[C@@H](c1ccccc1F)N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841963097 630477130 /nfs/dbraw/zinc/47/71/30/630477130.db2.gz WICACJZMHFJVHR-ZDUSSCGKSA-N 0 0 315.392 3.353 20 10 DGCDRN CCC1(CC)CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841959420 630477225 /nfs/dbraw/zinc/47/72/25/630477225.db2.gz NUBFYCNCTOFHPI-UHFFFAOYSA-N 0 0 303.450 3.423 20 10 DGCDRN CCS[C@@H]1CC[C@H](N(C)C(=O)NCCc2ccc(N)cc2)C1 ZINC000841960649 630477346 /nfs/dbraw/zinc/47/73/46/630477346.db2.gz URUUAIDQNIJYAM-JKSUJKDBSA-N 0 0 321.490 3.127 20 10 DGCDRN COC(=O)c1csc(COc2ccc(N3CCCC3)cc2)n1 ZINC000842033981 630480618 /nfs/dbraw/zinc/48/06/18/630480618.db2.gz LMAMIVRDOMLXNF-UHFFFAOYSA-N 0 0 318.398 3.109 20 10 DGCDRN C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)NCCCSc1nccs1 ZINC000842181598 630503637 /nfs/dbraw/zinc/50/36/37/630503637.db2.gz YUCFOKIOOIPTON-GRYCIOLGSA-N 0 0 313.492 3.311 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)CC3(C)CC3)C2)cc1 ZINC000842876451 630588049 /nfs/dbraw/zinc/58/80/49/630588049.db2.gz SQVHIAUSCNHRPP-AWEZNQCLSA-N 0 0 303.402 3.255 20 10 DGCDRN CC/C=C(/C)C(=O)OC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000842878604 630588479 /nfs/dbraw/zinc/58/84/79/630588479.db2.gz MZKVMJGVZFSJJI-NUKWSGDCSA-N 0 0 303.402 3.421 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)c3ccsc3)C2)cc1 ZINC000842882535 630589106 /nfs/dbraw/zinc/58/91/06/630589106.db2.gz XOIIYHLSRLMZNZ-CYBMUJFWSA-N 0 0 317.410 3.440 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)c1 ZINC000842922428 630593480 /nfs/dbraw/zinc/59/34/80/630593480.db2.gz WYHIIRRDDXZAQL-BNOWGMLFSA-N 0 0 321.417 3.176 20 10 DGCDRN CCO[C@@H]1C[C@@H]([NH2+][C@H](CC)c2ccc(F)cc2[O-])[C@@H]1SC ZINC000842924858 630593966 /nfs/dbraw/zinc/59/39/66/630593966.db2.gz UNRMCLRHGJXXJV-XOUADPBQSA-N 0 0 313.438 3.481 20 10 DGCDRN Cc1cc(-c2nc(Cc3ccc(N)cc3)no2)nn1[C@H](C)C1CC1 ZINC000843159162 630623301 /nfs/dbraw/zinc/62/33/01/630623301.db2.gz LVVMVLXBHYFSKT-GFCCVEGCSA-N 0 0 323.400 3.386 20 10 DGCDRN Cc1c(-c2nc(Cc3ccc(N)cc3)no2)oc2c1C(=O)CCC2 ZINC000843159290 630623341 /nfs/dbraw/zinc/62/33/41/630623341.db2.gz OLDULBKEWRRPEC-UHFFFAOYSA-N 0 0 323.352 3.330 20 10 DGCDRN CC(C)c1ncc(-c2nc(Cc3ccc(N)cc3)no2)s1 ZINC000843160083 630623554 /nfs/dbraw/zinc/62/35/54/630623554.db2.gz VKJPMFAXHUVKDM-UHFFFAOYSA-N 0 0 300.387 3.490 20 10 DGCDRN CC(C)C[C@@H](C)OCCc1nc(Cc2ccc(N)cc2)no1 ZINC000843161920 630623922 /nfs/dbraw/zinc/62/39/22/630623922.db2.gz RBRPWGYPOPJWAA-CYBMUJFWSA-N 0 0 303.406 3.236 20 10 DGCDRN Nc1ccc(Cc2nc(-c3ccnc(OC4CCC4)c3)no2)cc1 ZINC000843193468 630631940 /nfs/dbraw/zinc/63/19/40/630631940.db2.gz JPRVHTJUXHYLPA-UHFFFAOYSA-N 0 0 322.368 3.236 20 10 DGCDRN C[N@H+](Cc1cccc(Cl)c1[O-])C[C@@]1(O)CCc2ccccc21 ZINC000843422913 630656131 /nfs/dbraw/zinc/65/61/31/630656131.db2.gz YNORCXJHXOQYRT-SFHVURJKSA-N 0 0 317.816 3.311 20 10 DGCDRN COc1cc(Cl)cc(CN2CCOC[C@@H]2C2CCC2)c1O ZINC000843428784 630657363 /nfs/dbraw/zinc/65/73/63/630657363.db2.gz NCOSTDCWRUINQM-CQSZACIVSA-N 0 0 311.809 3.055 20 10 DGCDRN COc1cc(Cl)cc(CN2CCOC[C@H]2C2CCC2)c1O ZINC000843428773 630657711 /nfs/dbraw/zinc/65/77/11/630657711.db2.gz NCOSTDCWRUINQM-AWEZNQCLSA-N 0 0 311.809 3.055 20 10 DGCDRN CC(C)[C@H]([NH2+]Cc1cccc(Cl)c1[O-])C1(CO)CC=CC1 ZINC000843433253 630658251 /nfs/dbraw/zinc/65/82/51/630658251.db2.gz VABWHSJKDIXQMT-INIZCTEOSA-N 0 0 309.837 3.489 20 10 DGCDRN C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)Cc1ccc(N)cc1 ZINC000843495270 630663177 /nfs/dbraw/zinc/66/31/77/630663177.db2.gz QDJCZNJKMWVYIN-OLZOCXBDSA-N 0 0 312.388 3.485 20 10 DGCDRN COc1ccccc1NC[C@@H](O)COc1c(C)ccc(C)c1C ZINC000844153533 630710959 /nfs/dbraw/zinc/71/09/59/630710959.db2.gz WPFAZNYMGTXYAA-MRXNPFEDSA-N 0 0 315.413 3.472 20 10 DGCDRN CN(C)c1ccc(CN(Cc2cc3n(n2)CCC3)C2CC2)cc1 ZINC000844279747 630715539 /nfs/dbraw/zinc/71/55/39/630715539.db2.gz UXIGYKVMFXRRLQ-UHFFFAOYSA-N 0 0 310.445 3.060 20 10 DGCDRN COc1ccc(N(C)Cc2nc([C@H](C)OCC(C)C)no2)cc1 ZINC000844353036 630720672 /nfs/dbraw/zinc/72/06/72/630720672.db2.gz OVYURJUUECWQQU-ZDUSSCGKSA-N 0 0 319.405 3.448 20 10 DGCDRN COc1ccc(N(C)C[C@H](O)COc2ccccc2Cl)cc1 ZINC000844352940 630720727 /nfs/dbraw/zinc/72/07/27/630720727.db2.gz DPLVLDDSVHEIRB-AWEZNQCLSA-N 0 0 321.804 3.225 20 10 DGCDRN COc1ccc(N(C)Cc2csc(N(C)C3CC3)n2)cc1 ZINC000844352712 630720742 /nfs/dbraw/zinc/72/07/42/630720742.db2.gz DLEINWNPKGYIDF-UHFFFAOYSA-N 0 0 303.431 3.387 20 10 DGCDRN COc1ccc(N(C)C[C@@H]2CCN(C(=O)c3ccccc3)C2)cc1 ZINC000844355742 630720765 /nfs/dbraw/zinc/72/07/65/630720765.db2.gz SBYGWMPOQZRVGU-INIZCTEOSA-N 0 0 324.424 3.294 20 10 DGCDRN CSc1cccnc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000844484832 630734151 /nfs/dbraw/zinc/73/41/51/630734151.db2.gz IMQMNVBXOMALMO-GFCCVEGCSA-N 0 0 315.442 3.361 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)CCCC2CC2)cc1 ZINC000844856354 630945515 /nfs/dbraw/zinc/94/55/15/630945515.db2.gz HQQLRYCMHXPKOL-UHFFFAOYSA-N 0 0 304.434 3.170 20 10 DGCDRN COc1cccc(CNC(=O)c2cc3ccccc3nc2C)c1O ZINC000105652270 630950695 /nfs/dbraw/zinc/95/06/95/630950695.db2.gz GBKMTPPCCJFSSE-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN COc1cccc(CNC(=O)c2cc3c(cc(C)cc3C)[nH]2)c1O ZINC000105652326 630950831 /nfs/dbraw/zinc/95/08/31/630950831.db2.gz DEVNAMZHKVIUSA-UHFFFAOYSA-N 0 0 324.380 3.429 20 10 DGCDRN C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000844934506 630991181 /nfs/dbraw/zinc/99/11/81/630991181.db2.gz NHMDEWAPMNVOHT-CXAGYDPISA-N 0 0 311.381 3.497 20 10 DGCDRN CN1CCCc2cc(CNC(=O)NC3(C4CCC4)CC3)ccc21 ZINC000844934257 630991287 /nfs/dbraw/zinc/99/12/87/630991287.db2.gz NTIAJOKDAJKYEF-UHFFFAOYSA-N 0 0 313.445 3.201 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC2(C3CCC3)CC2)cc1F ZINC000844936732 630992242 /nfs/dbraw/zinc/99/22/42/630992242.db2.gz ZJRLKRJRTUPLQU-UHFFFAOYSA-N 0 0 305.397 3.024 20 10 DGCDRN C[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)CC(F)(F)F ZINC000845261406 631157072 /nfs/dbraw/zinc/15/70/72/631157072.db2.gz IIMZAYDKYJWMLN-MRVPVSSYSA-N 0 0 324.730 3.433 20 10 DGCDRN O=C(NCCCSc1nccs1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000845505562 631179352 /nfs/dbraw/zinc/17/93/52/631179352.db2.gz INRFJMZUWDXPMU-FRRDWIJNSA-N 0 0 308.472 3.344 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1nnc(C(F)(F)F)s1 ZINC000845513472 631180005 /nfs/dbraw/zinc/18/00/05/631180005.db2.gz KUDONWRIKSYVDZ-LURJTMIESA-N 0 0 319.308 3.011 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@H](OC(C)C)C2)cc1OC ZINC000845640125 631184823 /nfs/dbraw/zinc/18/48/23/631184823.db2.gz USOYMLPALXBTBK-LBPRGKRZSA-N 0 0 324.377 3.006 20 10 DGCDRN COc1ccc(O)c([C@H](C)NCc2c(F)ccc(O)c2F)c1 ZINC000845971003 631204034 /nfs/dbraw/zinc/20/40/34/631204034.db2.gz GNNOILGHJFHOMJ-VIFPVBQESA-N 0 0 309.312 3.235 20 10 DGCDRN O=C(NCc1cccc(Br)c1O)[C@@H]1C[C@H]1C1CCC1 ZINC000846013979 631206096 /nfs/dbraw/zinc/20/60/96/631206096.db2.gz GLTOLYMXPLFMER-NWDGAFQWSA-N 0 0 324.218 3.207 20 10 DGCDRN C[C@@H](O)[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])c1ccccc1F ZINC000846017766 631206319 /nfs/dbraw/zinc/20/63/19/631206319.db2.gz PVDXCXIJOOMNQU-MEBBXXQBSA-N 0 0 309.768 3.396 20 10 DGCDRN C[C@@]1(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C[C@]1(F)Cl ZINC000846039114 631207540 /nfs/dbraw/zinc/20/75/40/631207540.db2.gz UEZFOZWJTKXTKQ-CHWSQXEVSA-N 0 0 302.733 3.095 20 10 DGCDRN C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@@](C)(O)c1ccccc1 ZINC000846039449 631207560 /nfs/dbraw/zinc/20/75/60/631207560.db2.gz SUFCXKTYRVIKFJ-YVEFUNNKSA-N 0 0 305.805 3.431 20 10 DGCDRN C[C@@H](CO)C1CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000846058476 631208626 /nfs/dbraw/zinc/20/86/26/631208626.db2.gz PPHXTEKMWYFOAS-JTQLQIEISA-N 0 0 301.789 3.025 20 10 DGCDRN C[C@H]1CN(C/C=C\c2ccc(N(C)C)cc2)C2(CCC2)CO1 ZINC000846067212 631208884 /nfs/dbraw/zinc/20/88/84/631208884.db2.gz PANXFZOVTQQRFM-LEXSJLIMSA-N 0 0 300.446 3.409 20 10 DGCDRN C[C@H]1CN(C/C=C/c2ccc(N(C)C)cc2)C2(CCC2)CO1 ZINC000846067216 631208970 /nfs/dbraw/zinc/20/89/70/631208970.db2.gz PANXFZOVTQQRFM-NBUZRDOWSA-N 0 0 300.446 3.409 20 10 DGCDRN Cc1ccc(O)c(CN2CCCCN2C(=O)OC(C)(C)C)c1 ZINC000846069547 631209100 /nfs/dbraw/zinc/20/91/00/631209100.db2.gz JGRISFBTUGHWTF-UHFFFAOYSA-N 0 0 306.406 3.449 20 10 DGCDRN COc1cccc([C@H](C)NCc2csc([C@H](C)OC)n2)c1O ZINC000846148826 631212242 /nfs/dbraw/zinc/21/22/42/631212242.db2.gz HWLXGEDIUQTXDC-QWRGUYRKSA-N 0 0 322.430 3.416 20 10 DGCDRN CC[C@H](C)c1nnc([C@@H](C)N[C@H](C)c2cccc(OC)c2O)[nH]1 ZINC000846167008 631213197 /nfs/dbraw/zinc/21/31/97/631213197.db2.gz QRPGHNGCGDBEKQ-QJPTWQEYSA-N 0 0 318.421 3.444 20 10 DGCDRN C[C@H](O)[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccccc1F ZINC000846182956 631213905 /nfs/dbraw/zinc/21/39/05/631213905.db2.gz MLNQALDGMLFLKU-PSVSLLHZSA-N 0 0 307.340 3.443 20 10 DGCDRN Cc1cc(C(=O)NCc2cc(Cl)ccc2O)nn1C(C)(C)C ZINC000846472958 631249510 /nfs/dbraw/zinc/24/95/10/631249510.db2.gz ODXAFBSYMSHEFZ-UHFFFAOYSA-N 0 0 321.808 3.236 20 10 DGCDRN CC[C@@H](C(=O)NCc1cc(Cl)ccc1O)c1c(C)noc1C ZINC000846472496 631249722 /nfs/dbraw/zinc/24/97/22/631249722.db2.gz KUOHQSGBQNKPOO-CYBMUJFWSA-N 0 0 322.792 3.460 20 10 DGCDRN Cc1cc(C(=O)N(C)[C@H](C)CCO)c(C)n1-c1ccccc1C ZINC000846602813 631273355 /nfs/dbraw/zinc/27/33/55/631273355.db2.gz WPHDUEHOSCOGQG-CQSZACIVSA-N 0 0 314.429 3.245 20 10 DGCDRN C[C@@H]1CN(C(=O)c2cccc(O)c2O)CCc2ccc(F)cc21 ZINC000846618329 631274764 /nfs/dbraw/zinc/27/47/64/631274764.db2.gz WIPPESFIGSVDIY-LLVKDONJSA-N 0 0 315.344 3.039 20 10 DGCDRN CC(=O)c1cc(CN(Cc2ccc(N(C)C)cc2)C2CC2)on1 ZINC000846776629 631301940 /nfs/dbraw/zinc/30/19/40/631301940.db2.gz UMUGIAFWGZBZNC-UHFFFAOYSA-N 0 0 313.401 3.108 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1cnc(Cl)c(F)c1 ZINC000846836357 631322774 /nfs/dbraw/zinc/32/27/74/631322774.db2.gz DHTSWIZXUWKSOZ-UHFFFAOYSA-N 0 0 321.783 3.339 20 10 DGCDRN COc1ccc2c(c1)CCCCN2Cc1cc(C(C)=O)no1 ZINC000846839823 631323495 /nfs/dbraw/zinc/32/34/95/631323495.db2.gz GGDHHTBMAULHHX-UHFFFAOYSA-N 0 0 300.358 3.229 20 10 DGCDRN C/C(=C/c1ccncc1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000846841190 631323729 /nfs/dbraw/zinc/32/37/29/631323729.db2.gz ANRUGAGWZHSFHV-QINSGFPZSA-N 0 0 321.424 3.184 20 10 DGCDRN C/C(=C/c1ccccn1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000846976980 631371720 /nfs/dbraw/zinc/37/17/20/631371720.db2.gz HWTCSSXUOPIGMD-PLFFATQSSA-N 0 0 309.413 3.428 20 10 DGCDRN C/C(=C/c1ccccn1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000846976985 631371991 /nfs/dbraw/zinc/37/19/91/631371991.db2.gz HWTCSSXUOPIGMD-SEWDUPMJSA-N 0 0 309.413 3.428 20 10 DGCDRN CN(C[C@@H]1CC2(CC2)C(=O)O1)c1ccc(-c2nccs2)cc1 ZINC000846992452 631375729 /nfs/dbraw/zinc/37/57/29/631375729.db2.gz JWZNCGQDCNVWEY-AWEZNQCLSA-N 0 0 314.410 3.342 20 10 DGCDRN CC(C)COC[C@@H](O)CN(C)c1ccc(-c2nccs2)cc1 ZINC000846995262 631376899 /nfs/dbraw/zinc/37/68/99/631376899.db2.gz ZGDIFNBUMNCCEX-INIZCTEOSA-N 0 0 320.458 3.280 20 10 DGCDRN COC(=O)/C(C)=C/CN(C)c1ccc(-c2nccs2)cc1 ZINC000846995837 631377246 /nfs/dbraw/zinc/37/72/46/631377246.db2.gz PSMPHRSRDYTJMP-XYOKQWHBSA-N 0 0 302.399 3.366 20 10 DGCDRN CN(C[C@H]1CCNC(=O)CC1)c1ccc(-c2nccs2)cc1 ZINC000846997740 631377686 /nfs/dbraw/zinc/37/76/86/631377686.db2.gz YFVQFGSKEMXMNW-CYBMUJFWSA-N 0 0 315.442 3.163 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C(F)F)nc2)c1 ZINC000847590853 631494074 /nfs/dbraw/zinc/49/40/74/631494074.db2.gz IRUGILDJPQDWPB-VIFPVBQESA-N 0 0 322.311 3.224 20 10 DGCDRN CC[C@@H]([NH2+]C[C@](C)(CO)OC)c1ccc(Cl)c(Cl)c1[O-] ZINC000848557603 631691680 /nfs/dbraw/zinc/69/16/80/631691680.db2.gz GGGAYDPACDCLJT-BXUZGUMPSA-N 0 0 322.232 3.137 20 10 DGCDRN Cc1cnc(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(C)c1 ZINC000848561422 631694074 /nfs/dbraw/zinc/69/40/74/631694074.db2.gz YUYZNACIUPKMLM-ZDUSSCGKSA-N 0 0 315.373 3.206 20 10 DGCDRN COC[C@H](CC(C)(C)C)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000848564234 631694717 /nfs/dbraw/zinc/69/47/17/631694717.db2.gz KDQHBDXJNSMONL-OCCSQVGLSA-N 0 0 323.433 3.281 20 10 DGCDRN C[C@@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)C(=O)OC(C)(C)C ZINC000848566278 631695948 /nfs/dbraw/zinc/69/59/48/631695948.db2.gz UCMIFUKBCAYPAZ-VIFPVBQESA-N 0 0 317.788 3.252 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2C[C@H](OC(C)(C)C)C2)c1 ZINC000848566395 631695964 /nfs/dbraw/zinc/69/59/64/631695964.db2.gz WYHIIRRDDXZAQL-UBHSHLNASA-N 0 0 321.417 3.176 20 10 DGCDRN CN(C)c1ccc(CN[C@H](C[C@@H]2CCCO2)C(F)(F)F)cc1 ZINC000848572677 631698818 /nfs/dbraw/zinc/69/88/18/631698818.db2.gz VKZQPDVVNVBGDD-LSDHHAIUSA-N 0 0 316.367 3.342 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000848575016 631699761 /nfs/dbraw/zinc/69/97/61/631699761.db2.gz KSJJAOSNYFUUAW-KBPBESRZSA-N 0 0 312.816 3.291 20 10 DGCDRN O=S(=O)(Nc1ccc(O)cc1F)c1cccc2ccccc21 ZINC000006476758 631705210 /nfs/dbraw/zinc/70/52/10/631705210.db2.gz CQWFZYXFVBWBIM-UHFFFAOYSA-N 0 0 317.341 3.485 20 10 DGCDRN COc1c(C)ncnc1N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000848673921 631725112 /nfs/dbraw/zinc/72/51/12/631725112.db2.gz FENKTQRFNFCGGC-UHFFFAOYSA-N 0 0 316.792 3.136 20 10 DGCDRN CCc1cccc(CN2CCOC[C@@H]2c2ccc(C)o2)c1O ZINC000848887354 631771920 /nfs/dbraw/zinc/77/19/20/631771920.db2.gz UMAYNOVFSPRAIB-MRXNPFEDSA-N 0 0 301.386 3.430 20 10 DGCDRN CCc1cccc(CNc2ccc(C)c(S(C)(=O)=O)c2)c1O ZINC000848900198 631778496 /nfs/dbraw/zinc/77/84/96/631778496.db2.gz CXHCQSBUCZLYJG-UHFFFAOYSA-N 0 0 319.426 3.279 20 10 DGCDRN CCc1cccc(CNc2ccc3c(c2)CCC(=O)N3C)c1O ZINC000848900801 631779730 /nfs/dbraw/zinc/77/97/30/631779730.db2.gz KCAXMVSEFVMBDT-UHFFFAOYSA-N 0 0 310.397 3.476 20 10 DGCDRN CCc1cccc(CN[C@@H](C)c2nc(C(C)(C)C)no2)c1O ZINC000848906839 631781559 /nfs/dbraw/zinc/78/15/59/631781559.db2.gz XQLVIATXZSRTKF-NSHDSACASA-N 0 0 303.406 3.486 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000848927825 631791052 /nfs/dbraw/zinc/79/10/52/631791052.db2.gz OIOMPURRZWRXIO-CABCVRRESA-N 0 0 312.816 3.291 20 10 DGCDRN COCc1csc(/C=C2/SC(N3CCCCC3)=NC2=O)c1 ZINC000849178516 631853338 /nfs/dbraw/zinc/85/33/38/631853338.db2.gz ICNUUNVACXZMOT-MDWZMJQESA-N 0 0 322.455 3.351 20 10 DGCDRN Oc1ccccc1CN(Cc1ccco1)C(=S)NCC1CC1 ZINC000849252835 631867130 /nfs/dbraw/zinc/86/71/30/631867130.db2.gz KJHFWEWFDVXPBM-UHFFFAOYSA-N 0 0 316.426 3.272 20 10 DGCDRN CCN(CC)c1ccc(CNC(=S)NCC2CC2)cc1F ZINC000849257469 631869573 /nfs/dbraw/zinc/86/95/73/631869573.db2.gz DLSOOCOIBOBIOG-UHFFFAOYSA-N 0 0 309.454 3.046 20 10 DGCDRN Cc1cc(C)c2c(N)c(C(=O)O[C@H]3COC(C)(C)C3)sc2n1 ZINC000849659375 631927665 /nfs/dbraw/zinc/92/76/65/631927665.db2.gz HCPRVCWSILGJIM-SNVBAGLBSA-N 0 0 320.414 3.220 20 10 DGCDRN CC[C@H](COC(=O)/C=C/c1ccc(O)c(O)c1)CC(F)F ZINC000849744680 631956929 /nfs/dbraw/zinc/95/69/29/631956929.db2.gz FSQAQRKOBZIMHL-RWCYGVJQSA-N 0 0 300.301 3.336 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2COC(C)(C)C2)c1 ZINC000850342588 632119203 /nfs/dbraw/zinc/11/92/03/632119203.db2.gz TZBCCPKMMKHHMA-LLVKDONJSA-N 0 0 314.223 3.120 20 10 DGCDRN COc1cc(C)c(C)cc1NCc1cc2c(cc1O)OCO2 ZINC000850353347 632122657 /nfs/dbraw/zinc/12/26/57/632122657.db2.gz AURHWPAFXXPIDR-UHFFFAOYSA-N 0 0 301.342 3.358 20 10 DGCDRN COc1cccc(O)c1CNCC(F)(F)c1ccc(F)cc1 ZINC000850400361 632139532 /nfs/dbraw/zinc/13/95/32/632139532.db2.gz BPQRZUCXTKMAFB-UHFFFAOYSA-N 0 0 311.303 3.422 20 10 DGCDRN C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000850412447 632144462 /nfs/dbraw/zinc/14/44/62/632144462.db2.gz XYYUFJZNHHOSAB-MEDUHNTESA-N 0 0 323.795 3.439 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=S)NC1CC1 ZINC000007404443 632147010 /nfs/dbraw/zinc/14/70/10/632147010.db2.gz NLFIYJMKPVHRKR-UHFFFAOYSA-N 0 0 303.475 3.146 20 10 DGCDRN CC[C@H]([NH2+]CCN(C)OC)c1cc(Cl)cc(Cl)c1[O-] ZINC000850477567 632164435 /nfs/dbraw/zinc/16/44/35/632164435.db2.gz HWVCPFXOBZRJDO-LBPRGKRZSA-N 0 0 307.221 3.233 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H](OC)[C@H]1CCOC1)c1cccc(Cl)c1[O-] ZINC000850485214 632167127 /nfs/dbraw/zinc/16/71/27/632167127.db2.gz ZAZKYQOSPFDZAO-TUKIKUTGSA-N 0 0 313.825 3.138 20 10 DGCDRN C[C@@H]([NH2+][C@@H](CO)C1CCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000850487709 632167858 /nfs/dbraw/zinc/16/78/58/632167858.db2.gz JLANVXBDGOFBPX-RNCFNFMXSA-N 0 0 303.324 3.223 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1C[C@@H](C)n2ncnc21)c1cccc(Cl)c1[O-] ZINC000850498828 632172534 /nfs/dbraw/zinc/17/25/34/632172534.db2.gz DQCRJYSSLHXFCY-JIMOISOXSA-N 0 0 306.797 3.384 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)c1cc(F)cc(F)c1[O-] ZINC000850500815 632172641 /nfs/dbraw/zinc/17/26/41/632172641.db2.gz GOUKJJDWISMHAW-HGKUSOMCSA-N 0 0 317.401 3.011 20 10 DGCDRN CC[C@H]([NH2+][C@H]1C[C@@H](C)n2ncnc21)c1cccc(Cl)c1[O-] ZINC000850498827 632172740 /nfs/dbraw/zinc/17/27/40/632172740.db2.gz DQCRJYSSLHXFCY-ICCXJUOJSA-N 0 0 306.797 3.384 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1ccc(Cl)cc1[O-] ZINC000850501350 632173218 /nfs/dbraw/zinc/17/32/18/632173218.db2.gz AJUGCRBCDVZJAI-MNIFOHHSSA-N 0 0 315.866 3.386 20 10 DGCDRN CC[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)c1ccc(F)cc1[O-] ZINC000850534086 632183920 /nfs/dbraw/zinc/18/39/20/632183920.db2.gz GFGYWXQRNITAKY-OAHLLOKOSA-N 0 0 303.381 3.383 20 10 DGCDRN C[C@@H](CN1CCC(C)CC1)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000850544121 632187966 /nfs/dbraw/zinc/18/79/66/632187966.db2.gz TUPRETARZZTSTJ-STQMWFEESA-N 0 0 312.404 3.441 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(Cl)cc1[O-] ZINC000850555923 632192067 /nfs/dbraw/zinc/19/20/67/632192067.db2.gz JYJCMTMCUKISCO-NWDGAFQWSA-N 0 0 324.852 3.343 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](OC)C2CCCC2)c1 ZINC000850563603 632195709 /nfs/dbraw/zinc/19/57/09/632195709.db2.gz ZIRCBTFFHKTVNL-PXAZEXFGSA-N 0 0 321.417 3.035 20 10 DGCDRN Nc1ccc(NC(=O)N2CCC([C@@H]3CCCCO3)CC2)cc1 ZINC000850750774 632215000 /nfs/dbraw/zinc/21/50/00/632215000.db2.gz OQESRWNMSKLGGO-INIZCTEOSA-N 0 0 303.406 3.082 20 10 DGCDRN CN(CC(=O)Nc1ccc(F)c(Cl)c1)Cc1ccccc1O ZINC000109771802 632316836 /nfs/dbraw/zinc/31/68/36/632316836.db2.gz TXXRHAGRJDCPIW-UHFFFAOYSA-N 0 0 322.767 3.255 20 10 DGCDRN CN(C)c1ccc(CNC(=O)COc2cccc(Cl)c2)cc1 ZINC000007890745 632425251 /nfs/dbraw/zinc/42/52/51/632425251.db2.gz MLQXHUZHHDYURL-UHFFFAOYSA-N 0 0 318.804 3.101 20 10 DGCDRN COc1ccc([C@@H]2C[C@H]2CC(=O)NCCc2ccc(N)cc2)cc1 ZINC000851632403 632462363 /nfs/dbraw/zinc/46/23/63/632462363.db2.gz PNUMILXNHGYYFN-LPHOPBHVSA-N 0 0 324.424 3.130 20 10 DGCDRN COc1cccc([C@@]2(C)CCN(C(=O)Cc3ccc(N)cc3)C2)c1 ZINC000851645343 632466360 /nfs/dbraw/zinc/46/63/60/632466360.db2.gz IQCIXVSGNILFOX-FQEVSTJZSA-N 0 0 324.424 3.010 20 10 DGCDRN CCN(Cc1cc(OC)ns1)c1ccc(OC)c(OC)c1 ZINC000851829236 632504849 /nfs/dbraw/zinc/50/48/49/632504849.db2.gz XETSSJBFWLYVJT-UHFFFAOYSA-N 0 0 308.403 3.195 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]3C[C@@H]3C2)cc1F ZINC000852084193 632550757 /nfs/dbraw/zinc/55/07/57/632550757.db2.gz LWZURCBBQWZAGV-HUUCEWRRSA-N 0 0 319.424 3.223 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccccc1Cl ZINC000072590665 660204023 /nfs/dbraw/zinc/20/40/23/660204023.db2.gz TVZLYMXBGBQPHM-UHFFFAOYSA-N 0 0 306.749 3.115 20 10 DGCDRN C[C@H]([NH2+]CCNC(=O)CC1CCCCC1)c1ccc(F)cc1[O-] ZINC000186033062 660262064 /nfs/dbraw/zinc/26/20/64/660262064.db2.gz LREHCPWRBBJUQL-ZDUSSCGKSA-N 0 0 322.424 3.269 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1ccc(F)cc1[O-] ZINC000186230427 660350760 /nfs/dbraw/zinc/35/07/60/660350760.db2.gz PPHNPOOGVAFVOZ-GXTWGEPZSA-N 0 0 309.381 3.258 20 10 DGCDRN Cc1ccc(O)c([C@H](C)Nc2ccc(N3CCOCC3)cn2)c1 ZINC000186250960 660354409 /nfs/dbraw/zinc/35/44/09/660354409.db2.gz LVBJJMBYPKXGKI-AWEZNQCLSA-N 0 0 313.401 3.105 20 10 DGCDRN Cc1[nH]c2ccccc2c1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000186376419 660378616 /nfs/dbraw/zinc/37/86/16/660378616.db2.gz SNEHZPFMERWQTH-LLVKDONJSA-N 0 0 324.380 3.249 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(C(F)F)c1 ZINC000186413246 660385165 /nfs/dbraw/zinc/38/51/65/660385165.db2.gz FOSJHIRUVLKFSH-SNVBAGLBSA-N 0 0 321.323 3.396 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@H]3CCC[C@H]32)cc1F ZINC000073915816 660574875 /nfs/dbraw/zinc/57/48/75/660574875.db2.gz UFXRULGUWBASAK-GOEBONIOSA-N 0 0 319.424 3.366 20 10 DGCDRN O=C(N[C@H]1CCSc2ccc(F)cc21)c1cccc(O)c1O ZINC000186801276 660575223 /nfs/dbraw/zinc/57/52/23/660575223.db2.gz HIHQWTJDRQSTRY-LBPRGKRZSA-N 0 0 319.357 3.204 20 10 DGCDRN COc1cccc(CNC(=O)N[C@H]2CCC[C@H](C(C)C)C2)c1O ZINC000074091695 660613043 /nfs/dbraw/zinc/61/30/43/660613043.db2.gz WVKNESUHYCBHDM-ZFWWWQNUSA-N 0 0 320.433 3.415 20 10 DGCDRN CC[C@H]1CN(Cc2c(O)cccc2Br)C[C@H](C)O1 ZINC000707140242 660887347 /nfs/dbraw/zinc/88/73/47/660887347.db2.gz OONJAKYWLBGTQH-QWRGUYRKSA-N 0 0 314.223 3.154 20 10 DGCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]C1CCOCC1 ZINC000708057295 660917009 /nfs/dbraw/zinc/91/70/09/660917009.db2.gz SFLGXFDEYSUVLT-UHFFFAOYSA-N 0 0 320.614 3.077 20 10 DGCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]C[C@H]1CCCO1 ZINC000708056474 660917064 /nfs/dbraw/zinc/91/70/64/660917064.db2.gz LOPGHYSSUDSRIO-SNVBAGLBSA-N 0 0 320.614 3.077 20 10 DGCDRN COCCCC[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708098070 660918046 /nfs/dbraw/zinc/91/80/46/660918046.db2.gz CXQCOJBBCLKUGD-UHFFFAOYSA-N 0 0 322.630 3.324 20 10 DGCDRN CC[C@H](COC)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708098522 660918078 /nfs/dbraw/zinc/91/80/78/660918078.db2.gz JDRZHZCJPPBASQ-SNVBAGLBSA-N 0 0 322.630 3.323 20 10 DGCDRN Cc1nc(C)c(C(=O)NCCCSc2nccs2)s1 ZINC000074136289 660946222 /nfs/dbraw/zinc/94/62/22/660946222.db2.gz FBGZSAWLYXLCGI-UHFFFAOYSA-N 0 0 313.473 3.129 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2cc3ccccn3c2)cc1 ZINC000074190152 660959476 /nfs/dbraw/zinc/95/94/76/660959476.db2.gz DADUAGNEOKNRCI-UHFFFAOYSA-N 0 0 307.397 3.278 20 10 DGCDRN CCCC[C@@H](CC)CNC(=O)NCc1ccc(OC)cc1O ZINC000792761862 660983016 /nfs/dbraw/zinc/98/30/16/660983016.db2.gz IPYAIYVZSJIXCH-CYBMUJFWSA-N 0 0 308.422 3.416 20 10 DGCDRN COc1ccc(CNC(=O)NCc2ccc(Cl)cc2)c(O)c1 ZINC000792760869 660983096 /nfs/dbraw/zinc/98/30/96/660983096.db2.gz CRZQKQCBVXIFLX-UHFFFAOYSA-N 0 0 320.776 3.054 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c(O)c1 ZINC000792780445 660984467 /nfs/dbraw/zinc/98/44/67/660984467.db2.gz PUHPJCMIOVMFRF-TYNCELHUSA-N 0 0 306.406 3.025 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N(C)[C@H]2CCC(C)(C)C2)cc1 ZINC000792793121 660985212 /nfs/dbraw/zinc/98/52/12/660985212.db2.gz PINUQPUMCUTRFE-INIZCTEOSA-N 0 0 303.450 3.473 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccnn2[C@H](C)CC(C)C)c(O)c1O ZINC000792803935 660985654 /nfs/dbraw/zinc/98/56/54/660985654.db2.gz XIBCWCTVQIZRGM-GFCCVEGCSA-N 0 0 317.389 3.462 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)c(O)c1 ZINC000792934979 660995117 /nfs/dbraw/zinc/99/51/17/660995117.db2.gz BJFIMYPRNCAJIH-SLEUVZQESA-N 0 0 306.406 3.025 20 10 DGCDRN COc1ccc(CNC(=O)NCC[C@@H]2CCCC[C@@H]2C)c(O)c1 ZINC000792943882 660996240 /nfs/dbraw/zinc/99/62/40/660996240.db2.gz ZRFZSYCRZKERLF-KBPBESRZSA-N 0 0 320.433 3.416 20 10 DGCDRN CC[C@H]1CCC[C@H](NC(=O)NCc2ccc(OC)cc2O)C1 ZINC000792957061 660996826 /nfs/dbraw/zinc/99/68/26/660996826.db2.gz OPYKFKFGHROAOD-JSGCOSHPSA-N 0 0 306.406 3.169 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H]2CCC(C)(C)C[C@@H]2C)c(O)c1 ZINC000792977436 660998088 /nfs/dbraw/zinc/99/80/88/660998088.db2.gz WHNDZKNXMKTGLI-SWLSCSKDSA-N 0 0 320.433 3.415 20 10 DGCDRN O=C1CCCC(=O)N1c1cccc(NCc2ccccc2O)c1 ZINC000793256195 661018789 /nfs/dbraw/zinc/01/87/89/661018789.db2.gz KLQWLVCGMSJYNI-UHFFFAOYSA-N 0 0 310.353 3.048 20 10 DGCDRN CC1CCC(OCC(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000793279500 661020051 /nfs/dbraw/zinc/02/00/51/661020051.db2.gz GBDVGJYCLRYAGH-UHFFFAOYSA-N 0 0 322.424 3.103 20 10 DGCDRN Cc1ccc(O)c(CNc2ccc(F)c(N3CCOC3=O)c2)c1 ZINC000793316988 661023895 /nfs/dbraw/zinc/02/38/95/661023895.db2.gz FLHFFGABCSHBTN-UHFFFAOYSA-N 0 0 316.332 3.408 20 10 DGCDRN CC[C@@H](C)CC[C@@H](O)CC(=O)NCc1ccc(N(C)C)cc1C ZINC000793517957 661040441 /nfs/dbraw/zinc/04/04/41/661040441.db2.gz YLBUCLWAVRSDPW-RDTXWAMCSA-N 0 0 320.477 3.255 20 10 DGCDRN CC[C@H](C)[C@H](OC)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000793468324 661037447 /nfs/dbraw/zinc/03/74/47/661037447.db2.gz LESFZCIFRRUFEN-GUYCJALGSA-N 0 0 324.440 3.349 20 10 DGCDRN O=C(N[C@H]1CCCc2ccc(F)cc21)c1cccc(O)c1O ZINC000794058195 661066523 /nfs/dbraw/zinc/06/65/23/661066523.db2.gz AUJYYNGIEILYGZ-AWEZNQCLSA-N 0 0 301.317 3.044 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCC2(F)CCC2)c1 ZINC000806044182 661073975 /nfs/dbraw/zinc/07/39/75/661073975.db2.gz ZWUHUAGVMKOLRE-NSHDSACASA-N 0 0 310.369 3.043 20 10 DGCDRN CON(Cc1ccccc1Cl)C(=O)c1ccc(C)c(O)c1O ZINC000794345073 661079998 /nfs/dbraw/zinc/07/99/98/661079998.db2.gz CNMYYBGEAJENML-UHFFFAOYSA-N 0 0 321.760 3.263 20 10 DGCDRN COc1ccc(CNC(=O)c2ccc3nc(C)ccc3c2)c(O)c1 ZINC000794373909 661081465 /nfs/dbraw/zinc/08/14/65/661081465.db2.gz OLOYYSMSTXOLEN-UHFFFAOYSA-N 0 0 322.364 3.187 20 10 DGCDRN CCOc1cc(C(=O)NCc2ccc(OC)cc2O)ccc1C ZINC000794378008 661081741 /nfs/dbraw/zinc/08/17/41/661081741.db2.gz SSLXEUJAMBCVPF-UHFFFAOYSA-N 0 0 315.369 3.038 20 10 DGCDRN COc1ccc(CNC(=O)C2(Cc3ccccc3)CC2)c(O)c1 ZINC000794381705 661081781 /nfs/dbraw/zinc/08/17/81/661081781.db2.gz RULKGXFBYLCNBQ-UHFFFAOYSA-N 0 0 311.381 3.040 20 10 DGCDRN COc1ccc(CNC(=O)c2ccc3ccccc3c2)c(O)c1 ZINC000794384300 661082248 /nfs/dbraw/zinc/08/22/48/661082248.db2.gz YWNNIZQVMZEYTQ-UHFFFAOYSA-N 0 0 307.349 3.484 20 10 DGCDRN COc1ccc(CNC(=O)C2(c3ccccc3C)CC2)c(O)c1 ZINC000794388171 661082466 /nfs/dbraw/zinc/08/24/66/661082466.db2.gz RJTOOHRBUJSXGQ-UHFFFAOYSA-N 0 0 311.381 3.057 20 10 DGCDRN COc1ccc(CNC(=O)CCc2ccc(Cl)cc2)c(O)c1 ZINC000794390144 661082580 /nfs/dbraw/zinc/08/25/80/661082580.db2.gz YOBWQPYTHNOMEO-UHFFFAOYSA-N 0 0 319.788 3.303 20 10 DGCDRN O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2)C1)c1cccc(O)c1O ZINC000794279794 661076222 /nfs/dbraw/zinc/07/62/22/661076222.db2.gz KIIJSFBJMXFVPZ-TZMCWYRMSA-N 0 0 315.344 3.303 20 10 DGCDRN Cc1cc(C(=O)N2CCC(F)(F)CC2)c(C)n1-c1ccccn1 ZINC000794288849 661076669 /nfs/dbraw/zinc/07/66/69/661076669.db2.gz CXUQCGOADCXZQP-UHFFFAOYSA-N 0 0 319.355 3.360 20 10 DGCDRN CN1C(=O)/C(=C\c2cscc2Br)SC1=S ZINC000794681530 661098881 /nfs/dbraw/zinc/09/88/81/661098881.db2.gz SKHRZNVBVPPMNT-FARCUNLSSA-N 0 0 320.258 3.342 20 10 DGCDRN CC[C@@H](NCc1n[nH]cc1Br)c1ccc(C)cc1O ZINC000794800348 661105614 /nfs/dbraw/zinc/10/56/14/661105614.db2.gz CVHWMSMZKMPGJA-GFCCVEGCSA-N 0 0 324.222 3.427 20 10 DGCDRN COc1ccc(CNC(=S)Nc2cc(C)ccc2F)c(O)c1 ZINC000795030387 661122571 /nfs/dbraw/zinc/12/25/71/661122571.db2.gz AJGSDSANYRCOID-UHFFFAOYSA-N 0 0 320.389 3.335 20 10 DGCDRN COc1ccc(CNC(=S)Nc2ccc(F)cc2F)c(O)c1 ZINC000795032111 661122774 /nfs/dbraw/zinc/12/27/74/661122774.db2.gz PLEHMXVNQNALSL-UHFFFAOYSA-N 0 0 324.352 3.166 20 10 DGCDRN COc1ccc(CNC(=S)Nc2cccc(C)c2)c(O)c1 ZINC000795030590 661122934 /nfs/dbraw/zinc/12/29/34/661122934.db2.gz CAPNQPGXJRYWSS-UHFFFAOYSA-N 0 0 302.399 3.196 20 10 DGCDRN CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(N(C)C)cc1C ZINC000795092936 661126372 /nfs/dbraw/zinc/12/63/72/661126372.db2.gz HQOLNDUVXRCHMS-UHFFFAOYSA-N 0 0 317.393 3.106 20 10 DGCDRN CCC1(C(=O)NCc2ccc(N3CCSCC3)cc2)CCC1 ZINC000175797309 655586280 /nfs/dbraw/zinc/58/62/80/655586280.db2.gz KQOJPOMXAROZCN-UHFFFAOYSA-N 0 0 318.486 3.436 20 10 DGCDRN Cn1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c1 ZINC000160306355 655601997 /nfs/dbraw/zinc/60/19/97/655601997.db2.gz VDBGAUFNLZAKAY-NTEUORMPSA-N 0 0 314.435 3.427 20 10 DGCDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nccs1 ZINC000048874308 655636361 /nfs/dbraw/zinc/63/63/61/655636361.db2.gz ULJIZCFKXDEJAM-UHFFFAOYSA-N 0 0 309.372 3.091 20 10 DGCDRN Cc1cc(O)c(CN2C[C@H](C(F)(F)F)OC[C@H]2C)cc1C ZINC000795694932 661168343 /nfs/dbraw/zinc/16/83/43/661168343.db2.gz UVZWEHBFNRMBSA-BXUZGUMPSA-N 0 0 303.324 3.161 20 10 DGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1C[C@H]1C ZINC000175842342 655660468 /nfs/dbraw/zinc/66/04/68/655660468.db2.gz JOSFSOIDAKIMDN-SKDRFNHKSA-N 0 0 312.207 3.159 20 10 DGCDRN COc1ccc(O)c(CNC(=O)/C=C\Sc2ccccc2)c1 ZINC000255268329 655676337 /nfs/dbraw/zinc/67/63/37/655676337.db2.gz UHOKPYCGPWNDIE-KTKRTIGZSA-N 0 0 315.394 3.323 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@H](CO)C1 ZINC000126438154 655686401 /nfs/dbraw/zinc/68/64/01/655686401.db2.gz ORYIWVOWCUMIFG-AWEZNQCLSA-N 0 0 318.442 3.000 20 10 DGCDRN O=C(/C=C\c1cccnc1)N1CCCc2cc(F)cc(F)c21 ZINC000255315658 655697809 /nfs/dbraw/zinc/69/78/09/655697809.db2.gz NYCYIBAMVLRBOV-WAYWQWQTSA-N 0 0 300.308 3.352 20 10 DGCDRN Cc1cscc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000176270234 655746566 /nfs/dbraw/zinc/74/65/66/655746566.db2.gz YEFPYSGDXDPIEC-UHFFFAOYSA-N 0 0 300.427 3.369 20 10 DGCDRN C[C@H](NC(=O)Nc1cnn(C2CCC2)c1)c1ccccc1O ZINC000934299728 655765642 /nfs/dbraw/zinc/76/56/42/655765642.db2.gz ISFKAYJYJXFOJI-NSHDSACASA-N 0 0 300.362 3.196 20 10 DGCDRN O=C(CN1CCCc2cc(OC(F)F)ccc21)N1CCCCC1 ZINC000065596967 655793531 /nfs/dbraw/zinc/79/35/31/655793531.db2.gz AROQEAITGDAVMX-UHFFFAOYSA-N 0 0 324.371 3.053 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2cc3cc(F)ccc3[nH]2)cc1 ZINC000046544336 655798689 /nfs/dbraw/zinc/79/86/89/655798689.db2.gz AQZMEVRUHHYXPK-UHFFFAOYSA-N 0 0 311.360 3.303 20 10 DGCDRN O=C1NC(=S)S/C1=C\c1cc(F)ccc1Br ZINC000179499040 655893961 /nfs/dbraw/zinc/89/39/61/655893961.db2.gz APDSUAPJQXIPBX-YWEYNIOJSA-N 0 0 318.192 3.077 20 10 DGCDRN Cc1cc(C(=O)N(C)CC[C@H](C)O)c(C)n1-c1cccc(C)c1 ZINC000177462150 655926633 /nfs/dbraw/zinc/92/66/33/655926633.db2.gz IURSYPKCNHGRQK-HNNXBMFYSA-N 0 0 314.429 3.245 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@@H](C)CCC(C)(C)C)c1 ZINC000077600112 655936063 /nfs/dbraw/zinc/93/60/63/655936063.db2.gz ICJFFYQTDFXADO-LBPRGKRZSA-N 0 0 308.422 3.415 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)CCSC ZINC000077643520 655961756 /nfs/dbraw/zinc/96/17/56/655961756.db2.gz MYSPHADZALBDRR-CQSZACIVSA-N 0 0 323.506 3.426 20 10 DGCDRN CC(=O)CCCCCCC(=O)NCc1ccc(N(C)C)cc1 ZINC000161059706 655961891 /nfs/dbraw/zinc/96/18/91/655961891.db2.gz JSBXYXCNAZHUHK-UHFFFAOYSA-N 0 0 304.434 3.298 20 10 DGCDRN CN1CCCN(C(=O)/C=C\c2cccnc2)c2cc(F)ccc21 ZINC000255901735 655963627 /nfs/dbraw/zinc/96/36/27/655963627.db2.gz OLTOCAVQCSIHPR-YVMONPNESA-N 0 0 311.360 3.107 20 10 DGCDRN CCNC(=O)c1cccc(NCc2cc(Cl)ccc2O)c1 ZINC000036952634 661210451 /nfs/dbraw/zinc/21/04/51/661210451.db2.gz XQWAABDZISHZNI-UHFFFAOYSA-N 0 0 304.777 3.407 20 10 DGCDRN CC(C)(C)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000165400757 655987865 /nfs/dbraw/zinc/98/78/65/655987865.db2.gz KBGIIHRRACFLRA-LGMDPLHJSA-N 0 0 320.392 3.446 20 10 DGCDRN COc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(F)c1 ZINC000023744827 655989876 /nfs/dbraw/zinc/98/98/76/655989876.db2.gz LVYOJUYICSSQTI-UHFFFAOYSA-N 0 0 316.376 3.173 20 10 DGCDRN C[C@H](Cc1ccccc1Cl)NC(=O)Cc1ccc(N)cc1 ZINC000037012711 661212579 /nfs/dbraw/zinc/21/25/79/661212579.db2.gz WYPOYHBMNPOVFT-GFCCVEGCSA-N 0 0 302.805 3.212 20 10 DGCDRN COC[C@@H]([NH2+]Cc1cc(Br)cc(F)c1[O-])C(C)C ZINC000715745216 661214194 /nfs/dbraw/zinc/21/41/94/661214194.db2.gz OZSTXWUOPYQCIY-GFCCVEGCSA-N 0 0 320.202 3.054 20 10 DGCDRN C[C@H]1CSC[C@H]1[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715768163 661214622 /nfs/dbraw/zinc/21/46/22/661214622.db2.gz BWRKFSWABCGALW-WRWORJQWSA-N 0 0 320.227 3.135 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]CC1CC(F)(F)C1 ZINC000715805553 661214901 /nfs/dbraw/zinc/21/49/01/661214901.db2.gz XXDYBYGLYSXSLW-UHFFFAOYSA-N 0 0 324.140 3.429 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CC[C@H](CF)C1 ZINC000715805937 661215066 /nfs/dbraw/zinc/21/50/66/661215066.db2.gz NDXGIUPRXLXJDC-MRVPVSSYSA-N 0 0 306.150 3.085 20 10 DGCDRN CCn1cc(NCc2cc(Br)cc(F)c2O)cn1 ZINC000715814264 661215279 /nfs/dbraw/zinc/21/52/79/661215279.db2.gz QVIXJIDUFSCZRK-UHFFFAOYSA-N 0 0 314.158 3.122 20 10 DGCDRN Cc1c(NC(=O)N(C)Cc2ccccc2O)cccc1N(C)C ZINC000180148386 656090912 /nfs/dbraw/zinc/09/09/12/656090912.db2.gz OUSHVWSBNZDZLI-UHFFFAOYSA-N 0 0 313.401 3.431 20 10 DGCDRN Cc1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)cc1O ZINC000181225774 656097743 /nfs/dbraw/zinc/09/77/43/656097743.db2.gz PGQWSPRXPUFBFI-UHFFFAOYSA-N 0 0 311.381 3.215 20 10 DGCDRN CCOc1ccccc1N(C)C(=O)c1ccc(C)c(O)c1O ZINC000182903901 656108868 /nfs/dbraw/zinc/10/88/68/656108868.db2.gz UTVHTXHNNNPOOT-UHFFFAOYSA-N 0 0 301.342 3.082 20 10 DGCDRN CCCc1csc(NC(=O)N2Cc3cccc(O)c3C2)n1 ZINC000930725283 656130866 /nfs/dbraw/zinc/13/08/66/656130866.db2.gz XXKOENGLCOGKMA-UHFFFAOYSA-N 0 0 303.387 3.349 20 10 DGCDRN Cc1cc(C(=O)NCc2ccncc2C)c(C)n1-c1ccccn1 ZINC000188857452 656149687 /nfs/dbraw/zinc/14/96/87/656149687.db2.gz JORAAEJZJBZMRT-UHFFFAOYSA-N 0 0 320.396 3.123 20 10 DGCDRN O=C(Cc1ccc(C(F)(F)F)cc1)NCc1ccccc1O ZINC000319141004 656156667 /nfs/dbraw/zinc/15/66/67/656156667.db2.gz FXSYKZJYEKKPGD-UHFFFAOYSA-N 0 0 309.287 3.270 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCCc1c(F)cccc1F ZINC000123293491 656177820 /nfs/dbraw/zinc/17/78/20/656177820.db2.gz CMFKKFHFODSZQR-UHFFFAOYSA-N 0 0 320.339 3.055 20 10 DGCDRN Cc1cccc(C)c1NC1=NC(=O)C(=Cc2cnn(C)c2)S1 ZINC000196526855 656221412 /nfs/dbraw/zinc/22/14/12/656221412.db2.gz YPMVJONAKBKHCZ-NTUHNPAUSA-N 0 0 312.398 3.119 20 10 DGCDRN C[C@H]1SCC[N@H+](Cc2cccc(Br)c2[O-])[C@H]1C ZINC000093501023 656356511 /nfs/dbraw/zinc/35/65/11/656356511.db2.gz MBRMPMYUBIWGCC-VHSXEESVSA-N 0 0 316.264 3.481 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCC2(C3CC3)CCC2)c1 ZINC000162881608 656422968 /nfs/dbraw/zinc/42/29/68/656422968.db2.gz FEABRHBPDNERNZ-LBPRGKRZSA-N 0 0 318.417 3.341 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NC2CCCC2)cc1F ZINC000303359952 657529918 /nfs/dbraw/zinc/52/99/18/657529918.db2.gz PSCLOXAWLKQIKY-UHFFFAOYSA-N 0 0 307.413 3.414 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(F)cc1[O-] ZINC000320570288 657601085 /nfs/dbraw/zinc/60/10/85/657601085.db2.gz QCPPYHQSWBHYGE-VHSXEESVSA-N 0 0 315.348 3.113 20 10 DGCDRN Cc1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)on1 ZINC000253599991 657823260 /nfs/dbraw/zinc/82/32/60/657823260.db2.gz BDGDKAKYDTWDQH-UHFFFAOYSA-N 0 0 312.325 3.124 20 10 DGCDRN Cc1ccc(NC(=S)NN=c2nc(C)cc(C)[nH]2)c(C)c1 ZINC000016190999 658347257 /nfs/dbraw/zinc/34/72/57/658347257.db2.gz GPMIALOKAOOKPV-UHFFFAOYSA-N 0 0 301.419 3.024 20 10 DGCDRN COc1ccc(O)c(CNc2ccc(N3CCCC3=O)cc2)c1 ZINC000237363502 658373451 /nfs/dbraw/zinc/37/34/51/658373451.db2.gz GNHYLJNCASBLHI-UHFFFAOYSA-N 0 0 312.369 3.140 20 10 DGCDRN CCOC(=O)[C@H](C)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000179194837 658381008 /nfs/dbraw/zinc/38/10/08/658381008.db2.gz KYVMXMMOINUEBQ-HNNXBMFYSA-N 0 0 304.434 3.060 20 10 DGCDRN Cc1cc(C(=O)N[C@H]2CCOC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000179203463 658383519 /nfs/dbraw/zinc/38/35/19/658383519.db2.gz CTMDGVQBCDZNJD-INIZCTEOSA-N 0 0 312.413 3.230 20 10 DGCDRN CCOc1cccc([C@@H]2Nc3ccccc3C(=O)N2CC)c1O ZINC000030542558 658712771 /nfs/dbraw/zinc/71/27/71/658712771.db2.gz PYVPJIAFVIXFMO-QGZVFWFLSA-N 0 0 312.369 3.377 20 10 DGCDRN Cc1cc(C(=O)Nc2ccn(C)n2)c(C)n1-c1cccc(C)c1 ZINC000041998812 658737487 /nfs/dbraw/zinc/73/74/87/658737487.db2.gz ZIZQSZGJDJSENF-UHFFFAOYSA-N 0 0 308.385 3.388 20 10 DGCDRN O=C(NC1CCCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000042115143 658742342 /nfs/dbraw/zinc/74/23/42/658742342.db2.gz JHRSSSVBKRWOEN-INIZCTEOSA-N 0 0 318.417 3.025 20 10 DGCDRN COc1cccc([C@H]2Nc3ccc(Cl)cc3C(=O)N2C)c1O ZINC000054682426 658880078 /nfs/dbraw/zinc/88/00/78/658880078.db2.gz QXTCDLKZNHSXHV-HNNXBMFYSA-N 0 0 318.760 3.251 20 10 DGCDRN COc1cc(CN2C[C@@H](C)OC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000163954492 658910099 /nfs/dbraw/zinc/91/00/99/658910099.db2.gz AMFCHNWXRIXEEB-CHWSQXEVSA-N 0 0 307.434 3.308 20 10 DGCDRN CCCOc1cccc(CNC(=O)CSc2nccs2)c1 ZINC000055412176 658928715 /nfs/dbraw/zinc/92/87/15/658928715.db2.gz VFMMCXMXUBPJLZ-UHFFFAOYSA-N 0 0 322.455 3.340 20 10 DGCDRN Cc1cc(C)c(O)c(CN(C)c2ccccc2S(C)(=O)=O)c1 ZINC000164802312 658946184 /nfs/dbraw/zinc/94/61/84/658946184.db2.gz MNNSPCPGYMZMHW-UHFFFAOYSA-N 0 0 319.426 3.049 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H](C)OC[C@@H]2C)cc1 ZINC000045449238 658983104 /nfs/dbraw/zinc/98/31/04/658983104.db2.gz ZWCHIAWWUJMEGK-JKSUJKDBSA-N 0 0 312.413 3.344 20 10 DGCDRN C[C@H]1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000057660745 659022452 /nfs/dbraw/zinc/02/24/52/659022452.db2.gz OALZIIDHFURDHH-AWEZNQCLSA-N 0 0 301.434 3.011 20 10 DGCDRN O=C1NC(=S)S/C1=C/c1cc(F)cc(C(F)(F)F)c1 ZINC000157201379 659028760 /nfs/dbraw/zinc/02/87/60/659028760.db2.gz LRYLMMRKCWTHGL-FPYGCLRLSA-N 0 0 307.293 3.333 20 10 DGCDRN CC(C)(C)C[C@@H](O)C[NH2+]Cc1cccc(Br)c1[O-] ZINC000227372430 659153843 /nfs/dbraw/zinc/15/38/43/659153843.db2.gz BYJXEYRZLRAUBP-LLVKDONJSA-N 0 0 316.239 3.041 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccc(NC(N)=O)cc1 ZINC000170789485 659237244 /nfs/dbraw/zinc/23/72/44/659237244.db2.gz ROZCOMNOGGVIFA-MNOVXSKESA-N 0 0 317.364 3.434 20 10 DGCDRN CCn1cc(C=C2SC(Nc3cccc(C)c3)=NC2=O)cn1 ZINC000171805585 659299750 /nfs/dbraw/zinc/29/97/50/659299750.db2.gz HCMUEONQGDXJRL-RIYZIHGNSA-N 0 0 312.398 3.294 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NC[C@@H]2CCCC[C@H]2C)c1 ZINC000172072409 659315149 /nfs/dbraw/zinc/31/51/49/659315149.db2.gz PNSWSNWLGFNOTN-OLZOCXBDSA-N 0 0 306.406 3.026 20 10 DGCDRN CS[C@@H](C(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000172402330 659333816 /nfs/dbraw/zinc/33/38/16/659333816.db2.gz QZPXXQYBZZCTRD-MRXNPFEDSA-N 0 0 301.411 3.455 20 10 DGCDRN CCC(CC)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000062574847 659337049 /nfs/dbraw/zinc/33/70/49/659337049.db2.gz KGBIWEZRDJEWML-CQSZACIVSA-N 0 0 304.434 3.074 20 10 DGCDRN CC[C@@H](C)[C@@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000172698035 659351033 /nfs/dbraw/zinc/35/10/33/659351033.db2.gz VGYXKOZKFWTIIL-HUUCEWRRSA-N 0 0 301.434 3.297 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(F)nc2)cc1F ZINC000172799607 659359100 /nfs/dbraw/zinc/35/91/00/659359100.db2.gz UFVPPEFCPRYMJV-UHFFFAOYSA-N 0 0 319.355 3.136 20 10 DGCDRN C[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)c1cccc(F)c1 ZINC000172910596 659362558 /nfs/dbraw/zinc/36/25/58/659362558.db2.gz ZVRLLPHKRGCTNY-GFCCVEGCSA-N 0 0 318.367 3.451 20 10 DGCDRN Cc1ncc(/C=C/C(=O)N2CCN(C)c3cc(F)ccc32)s1 ZINC000174453370 659434418 /nfs/dbraw/zinc/43/44/18/659434418.db2.gz FGOMRDNJLNLOKX-GQCTYLIASA-N 0 0 317.389 3.087 20 10 DGCDRN COCC(=O)Nc1ccc(N[C@H]2CCc3cccc(O)c32)cc1 ZINC000324044484 659505840 /nfs/dbraw/zinc/50/58/40/659505840.db2.gz UVAMAIRBKIKIHJ-HNNXBMFYSA-N 0 0 312.369 3.077 20 10 DGCDRN CCCN(Cc1nnc(C(C)(C)C)o1)Cc1ccccc1O ZINC000068819726 659965800 /nfs/dbraw/zinc/96/58/00/659965800.db2.gz BIWPCVCKMXGORJ-UHFFFAOYSA-N 0 0 303.406 3.485 20 10 DGCDRN COC[C@@H](C)NC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000068968531 659970867 /nfs/dbraw/zinc/97/08/67/659970867.db2.gz KKMWVPLVNYNNTI-CYBMUJFWSA-N 0 0 300.402 3.167 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2csc(C3CC3)n2)c1 ZINC000170900541 659976141 /nfs/dbraw/zinc/97/61/41/659976141.db2.gz CQBYELLPIBEIQY-VIFPVBQESA-N 0 0 318.398 3.226 20 10 DGCDRN CCOc1ccc(C#N)cc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180974905 659976244 /nfs/dbraw/zinc/97/62/44/659976244.db2.gz YHSGTZBMDQETHR-VMPITWQZSA-N 0 0 324.336 3.020 20 10 DGCDRN COc1cc(F)c(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1F ZINC000181191774 659985640 /nfs/dbraw/zinc/98/56/40/659985640.db2.gz YNEUHDBPHXRXNU-HWKANZROSA-N 0 0 321.279 3.037 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000250769898 660001014 /nfs/dbraw/zinc/00/10/14/660001014.db2.gz YTWKTWHUAFJPGA-ZDUSSCGKSA-N 0 0 315.244 3.369 20 10 DGCDRN Cc1ccc(C)c(C(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000069913456 660028335 /nfs/dbraw/zinc/02/83/35/660028335.db2.gz VQNKREDBCRBWMP-UHFFFAOYSA-N 0 0 300.377 3.439 20 10 DGCDRN [NH3+]CC[C@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000070148607 660039036 /nfs/dbraw/zinc/03/90/36/660039036.db2.gz JMTKXEPGYVJZTM-GFCCVEGCSA-N 0 0 303.233 3.402 20 10 DGCDRN C[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])[C@@H]1C[NH3+] ZINC000070175415 660040380 /nfs/dbraw/zinc/04/03/80/660040380.db2.gz GJHIXPPGJTXDGU-NOZJJQNGSA-N 0 0 303.233 3.258 20 10 DGCDRN CCCc1ccc(S(=O)(=O)Nc2ccc(O)cc2F)cc1 ZINC000070333344 660052516 /nfs/dbraw/zinc/05/25/16/660052516.db2.gz HYDXSNPUADIFRX-UHFFFAOYSA-N 0 0 309.362 3.285 20 10 DGCDRN COc1ccc(N(Cc2ncnn2CC(C)C)C(C)C)cc1F ZINC000182867272 660086615 /nfs/dbraw/zinc/08/66/15/660086615.db2.gz VGBWDDCPOAENDG-UHFFFAOYSA-N 0 0 320.412 3.497 20 10 DGCDRN CSc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000183482908 660116979 /nfs/dbraw/zinc/11/69/79/660116979.db2.gz HHZJICLEPKUATJ-NSHDSACASA-N 0 0 317.410 3.181 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1ncnc2ccc(F)cc21 ZINC000183599860 660125640 /nfs/dbraw/zinc/12/56/40/660125640.db2.gz ZIMUXLHARCUCOO-SNVBAGLBSA-N 0 0 313.332 3.223 20 10 DGCDRN C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000929531894 661315285 /nfs/dbraw/zinc/31/52/85/661315285.db2.gz JWMWMEVDOJTUAM-GFOCRRMGSA-N 0 0 300.446 3.393 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)[C@@]23CCO[C@@H]2CCCC3)cc1 ZINC000929533370 661315430 /nfs/dbraw/zinc/31/54/30/661315430.db2.gz SFKLNWWMXLCEJD-MJGOQNOKSA-N 0 0 316.445 3.060 20 10 DGCDRN CCOCc1cccc(NC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000930112747 661367397 /nfs/dbraw/zinc/36/73/97/661367397.db2.gz AFPOQKWIESYBMA-UHFFFAOYSA-N 0 0 312.369 3.476 20 10 DGCDRN COc1ccc(N(CCc2nnc(C)o2)CCC(C)C)cc1 ZINC000930288870 661385044 /nfs/dbraw/zinc/38/50/44/661385044.db2.gz MDGJAERUIPAWGN-UHFFFAOYSA-N 0 0 303.406 3.482 20 10 DGCDRN CCCc1cc(NC(=O)NCc2cccc(Cl)c2O)n(C)n1 ZINC000930682677 661421315 /nfs/dbraw/zinc/42/13/15/661421315.db2.gz VFSGZBWVCHRDGU-UHFFFAOYSA-N 0 0 322.796 3.053 20 10 DGCDRN O=C(Nc1cnc2c(c1)CCCC2)N1Cc2cccc(O)c2C1 ZINC000930767429 661428647 /nfs/dbraw/zinc/42/86/47/661428647.db2.gz GNUVNLKGLKELKL-UHFFFAOYSA-N 0 0 309.369 3.214 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C)c(C)cn1 ZINC000930905951 661438415 /nfs/dbraw/zinc/43/84/15/661438415.db2.gz XJVPZVITSONEFP-UHFFFAOYSA-N 0 0 311.429 3.427 20 10 DGCDRN CC(C)c1cnc(NC(=O)NCc2c(O)cccc2F)s1 ZINC000931082720 661451030 /nfs/dbraw/zinc/45/10/30/661451030.db2.gz AZEITRAFRUABRF-UHFFFAOYSA-N 0 0 309.366 3.433 20 10 DGCDRN COc1cccc(N(CC(C)C)C(=O)/C=C\c2cn(C)cn2)c1 ZINC000931106218 661452455 /nfs/dbraw/zinc/45/24/55/661452455.db2.gz AWMFTYBIUXBJMI-HJWRWDBZSA-N 0 0 313.401 3.131 20 10 DGCDRN O=C(Nc1ccc([C@@H]2CCOC2)cc1)N1Cc2cccc(O)c2C1 ZINC000931563175 661489047 /nfs/dbraw/zinc/48/90/47/661489047.db2.gz SLOIPRIYZMNAFR-OAHLLOKOSA-N 0 0 324.380 3.444 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000932943235 661611079 /nfs/dbraw/zinc/61/10/79/661611079.db2.gz JSVCQPATGHVCSY-ROUUACIJSA-N 0 0 316.445 3.025 20 10 DGCDRN C[C@H](NC(=O)Nc1ccnn1C1CCC1)c1ccccc1O ZINC000934728655 661730684 /nfs/dbraw/zinc/73/06/84/661730684.db2.gz OSGQKONNXLAXQO-NSHDSACASA-N 0 0 300.362 3.196 20 10 DGCDRN CC(C)Cc1ccc(C(=O)NCCc2ccc(O)c(O)c2)s1 ZINC000934938610 661750167 /nfs/dbraw/zinc/75/01/67/661750167.db2.gz GXLKLTAIQZUQIT-UHFFFAOYSA-N 0 0 319.426 3.330 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)c1 ZINC000934939949 661750195 /nfs/dbraw/zinc/75/01/95/661750195.db2.gz FCCRFDCAYBEJMG-TWJWRFFLSA-N 0 0 303.402 3.404 20 10 DGCDRN CC1(CCC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000935033659 661755672 /nfs/dbraw/zinc/75/56/72/661755672.db2.gz GBZSROSWPQUUBS-MRXNPFEDSA-N 0 0 317.429 3.480 20 10 DGCDRN C[C@H](NC(=O)C[C@H]1CC[C@H](C2CC2)O1)c1ccc(N(C)C)cc1 ZINC000935462070 661787873 /nfs/dbraw/zinc/78/78/73/661787873.db2.gz CZXVDQNADCKHBT-MORSLUCNSA-N 0 0 316.445 3.278 20 10 DGCDRN CC(C)[C@@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000935465430 661788209 /nfs/dbraw/zinc/78/82/09/661788209.db2.gz QURHKTZAWHSNHH-ZVZYQTTQSA-N 0 0 318.461 3.381 20 10 DGCDRN CC(C)[C@@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000935465423 661788269 /nfs/dbraw/zinc/78/82/69/661788269.db2.gz QURHKTZAWHSNHH-LESCRADOSA-N 0 0 318.461 3.381 20 10 DGCDRN Cc1ccc2c(c1)SCCCN2C(=O)/C=C\c1cn(C)cn1 ZINC000936039353 661828316 /nfs/dbraw/zinc/82/83/16/661828316.db2.gz KNLXPAQNBARNFM-ALCCZGGFSA-N 0 0 313.426 3.271 20 10 DGCDRN Cc1csc(NC(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000043257706 661843609 /nfs/dbraw/zinc/84/36/09/661843609.db2.gz FLEXNWSLKLPQBD-UHFFFAOYSA-N 0 0 304.419 3.181 20 10 DGCDRN CCc1c(C(=O)N(C)Cc2ccccc2O)cnn1CC(C)C ZINC000156822242 661864969 /nfs/dbraw/zinc/86/49/69/661864969.db2.gz DDZXXPQNGQOGEH-UHFFFAOYSA-N 0 0 315.417 3.079 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1cc(Cl)sc1Cl ZINC000158870645 661879417 /nfs/dbraw/zinc/87/94/17/661879417.db2.gz YTMJFSAMKUESBD-UHFFFAOYSA-N 0 0 318.181 3.396 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1cc(Cl)cc(Cl)c1 ZINC000158909773 661880063 /nfs/dbraw/zinc/88/00/63/661880063.db2.gz ZHXLIWLTSJPLMV-UHFFFAOYSA-N 0 0 312.152 3.335 20 10 DGCDRN C[C@@H](CC(=O)NCc1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000158987877 661880920 /nfs/dbraw/zinc/88/09/20/661880920.db2.gz CMFMQXLRFYFYLV-NSHDSACASA-N 0 0 303.333 3.047 20 10 DGCDRN C[C@@H](OC1CCCCCC1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000159013799 661881375 /nfs/dbraw/zinc/88/13/75/661881375.db2.gz GTQAIOZCSSUDFA-OAHLLOKOSA-N 0 0 318.461 3.497 20 10 DGCDRN C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1cccnc1 ZINC000048068124 661884844 /nfs/dbraw/zinc/88/48/44/661884844.db2.gz OHEKXUOUFIXSKJ-HNNXBMFYSA-N 0 0 324.428 3.242 20 10 DGCDRN O=C(CCCc1ccccn1)NCc1c(O)ccc2c1CCCC2 ZINC000075160105 661918064 /nfs/dbraw/zinc/91/80/64/661918064.db2.gz GJDPGUYEOHAETK-UHFFFAOYSA-N 0 0 324.424 3.305 20 10 DGCDRN CCc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(O)c1 ZINC000188753850 661943412 /nfs/dbraw/zinc/94/34/12/661943412.db2.gz QMVWNMIUSCTWFE-UHFFFAOYSA-N 0 0 312.413 3.293 20 10 DGCDRN Cc1ccc(F)c(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000189195633 661968590 /nfs/dbraw/zinc/96/85/90/661968590.db2.gz ROPDQYNDBBFLCT-NSHDSACASA-N 0 0 318.348 3.298 20 10 DGCDRN CO[C@@H]1CCCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000076247596 661975323 /nfs/dbraw/zinc/97/53/23/661975323.db2.gz WFUCMCUYXHHSEP-GOSISDBHSA-N 0 0 312.413 3.345 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccc(C2CCC2)cc1 ZINC000189544559 661981482 /nfs/dbraw/zinc/98/14/82/661981482.db2.gz SBBOYKNRMHVGJX-UHFFFAOYSA-N 0 0 311.381 3.338 20 10 DGCDRN Cc1ccn(C)c1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000190112949 662005294 /nfs/dbraw/zinc/00/52/94/662005294.db2.gz NDFOAGLAXBWWCA-UHFFFAOYSA-N 0 0 324.380 3.475 20 10 DGCDRN CCc1cccc(S(=O)(=O)Nc2ccc(O)cc2SC)c1 ZINC000192155461 662089356 /nfs/dbraw/zinc/08/93/56/662089356.db2.gz OTMDRWGZFNYXLD-UHFFFAOYSA-N 0 0 323.439 3.477 20 10 DGCDRN Cc1ccc(N2C(=O)/C(=C/c3ccnn3C)SC2=S)cc1 ZINC000192981117 662119085 /nfs/dbraw/zinc/11/90/85/662119085.db2.gz QZKPUKWNEHDVTO-LCYFTJDESA-N 0 0 315.423 3.134 20 10 DGCDRN CSc1cc(C)ccc1CNC(=O)c1cccc(O)c1O ZINC000193131932 662123571 /nfs/dbraw/zinc/12/35/71/662123571.db2.gz MYBYHBZHTJYLDO-UHFFFAOYSA-N 0 0 303.383 3.058 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Cc1ccc(OC(F)F)cc1 ZINC000080130134 662131106 /nfs/dbraw/zinc/13/11/06/662131106.db2.gz ITKDJROGZCUMQT-UHFFFAOYSA-N 0 0 321.323 3.195 20 10 DGCDRN CN(C)c1ccc(CN2CCC(=O)Nc3cc(F)ccc32)cc1 ZINC000193433741 662133961 /nfs/dbraw/zinc/13/39/61/662133961.db2.gz FPQLEFGEDZBHSK-UHFFFAOYSA-N 0 0 313.376 3.241 20 10 DGCDRN CCN(CC(C)C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000194168364 662159182 /nfs/dbraw/zinc/15/91/82/662159182.db2.gz UFTDUGDQDYOMDK-UHFFFAOYSA-N 0 0 303.450 3.474 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC1CCOCC1 ZINC000195437821 662189724 /nfs/dbraw/zinc/18/97/24/662189724.db2.gz YLMKKUNMRJOIRH-UHFFFAOYSA-N 0 0 312.413 3.311 20 10 DGCDRN Cc1occc1-c1nnc(Sc2ncc([N+](=O)[O-])s2)o1 ZINC000195506275 662191181 /nfs/dbraw/zinc/19/11/81/662191181.db2.gz WYIYBXNXUXEPAA-UHFFFAOYSA-N 0 0 310.316 3.154 20 10 DGCDRN COC[C@@H](C)CNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000195698511 662192834 /nfs/dbraw/zinc/19/28/34/662192834.db2.gz FYOZKRGDWLHWNF-AWEZNQCLSA-N 0 0 314.429 3.415 20 10 DGCDRN Cc1cc(Br)cc(CN2C[C@H](C)OC[C@H]2C)c1O ZINC000245856647 662242878 /nfs/dbraw/zinc/24/28/78/662242878.db2.gz NRYGLPVKANIVOX-MNOVXSKESA-N 0 0 314.223 3.072 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ccccc1Br ZINC000037846068 662259772 /nfs/dbraw/zinc/25/97/72/662259772.db2.gz CYWWRPIZVWOBCK-UHFFFAOYSA-N 0 0 320.186 3.427 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)c1 ZINC000246773922 662278458 /nfs/dbraw/zinc/27/84/58/662278458.db2.gz PAMLVYSFKQWLRC-SLEUVZQESA-N 0 0 306.406 3.025 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CCOC[C@H]1C1CC1 ZINC000093645557 662358257 /nfs/dbraw/zinc/35/82/57/662358257.db2.gz YXQJOBRJECUAOD-ZDUSSCGKSA-N 0 0 302.201 3.310 20 10 DGCDRN COCC[N@H+](Cc1ccc(C)o1)Cc1ccc(N(C)C)cc1 ZINC000093707117 662358935 /nfs/dbraw/zinc/35/89/35/662358935.db2.gz ZJTNBGUZZRDXSP-UHFFFAOYSA-N 0 0 302.418 3.303 20 10 DGCDRN COC(=O)c1oc(CN(C)c2ccc(OC)c(OC)c2)cc1C ZINC000140332115 685077937 /nfs/dbraw/zinc/07/79/37/685077937.db2.gz TZWXNKAQRCLALC-UHFFFAOYSA-N 0 0 319.357 3.028 20 10 DGCDRN CCn1ccnc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000385355346 685173681 /nfs/dbraw/zinc/17/36/81/685173681.db2.gz VEXBSOGBASCCSI-UHFFFAOYSA-N 0 0 300.189 3.205 20 10 DGCDRN CCOCC(C)(C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000393613290 685218380 /nfs/dbraw/zinc/21/83/80/685218380.db2.gz HDVVTDQBHLRQKG-UHFFFAOYSA-N 0 0 302.212 3.059 20 10 DGCDRN CN(Cc1ccccc1OCCCCO)c1ccc(N)cc1 ZINC001578496860 1191946113 /nfs/dbraw/zinc/94/61/13/1191946113.db2.gz WZYGXCSDHCPOGS-UHFFFAOYSA-N 0 0 300.402 3.057 20 10 DGCDRN C[C@H]1CCC[C@@](C[NH2+]Cc2cc(F)cc(F)c2[O-])(N(C)C)C1 ZINC001661084466 1196563480 /nfs/dbraw/zinc/56/34/80/1196563480.db2.gz WDHRJTIBOUDSGC-YVEFUNNKSA-N 0 0 312.404 3.271 20 10 DGCDRN Cc1cc(CNC(=O)c2cnc(C)n2C)c(C)n1-c1ccccc1 ZINC001587027793 1192364126 /nfs/dbraw/zinc/36/41/26/1192364126.db2.gz XUWDJSSHUBUMOF-UHFFFAOYSA-N 0 0 322.412 3.066 20 10 DGCDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1O ZINC001587445112 1192399974 /nfs/dbraw/zinc/39/99/74/1192399974.db2.gz WCCIXLNFQYRAAK-SECBINFHSA-N 0 0 320.732 3.445 20 10 DGCDRN C[C@@H](NC(=O)c1cncn1-c1ccccc1)c1ccccc1O ZINC001587445202 1192400012 /nfs/dbraw/zinc/40/00/12/1192400012.db2.gz WRLYVINJBFEUAN-CYBMUJFWSA-N 0 0 307.353 3.069 20 10 DGCDRN C[C@H](NC(=O)c1cccc(OC(F)F)c1)c1ccccc1O ZINC001587447461 1192400771 /nfs/dbraw/zinc/40/07/71/1192400771.db2.gz RJPHVPBHCWCXLE-JTQLQIEISA-N 0 0 307.296 3.485 20 10 DGCDRN C[C@H](NC(=O)c1cc(-c2cccc(O)c2)on1)c1ccccc1O ZINC001587450931 1192400788 /nfs/dbraw/zinc/40/07/88/1192400788.db2.gz ASGORFHLBOBKHT-NSHDSACASA-N 0 0 324.336 3.244 20 10 DGCDRN CCO[C@@H]1[C@H](C)[C@H]1C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC001587460246 1192401562 /nfs/dbraw/zinc/40/15/62/1192401562.db2.gz RNKISBNMJPIIKM-ZTFGCOKTSA-N 0 0 318.461 3.162 20 10 DGCDRN Cc1ccc([C@H](NC(=O)Cc2ccc(O)c(O)c2)C2CC2)cc1 ZINC001587809633 1192419370 /nfs/dbraw/zinc/41/93/70/1192419370.db2.gz JBPAACHYDYIPIY-IBGZPJMESA-N 0 0 311.381 3.216 20 10 DGCDRN COc1cc(Cl)c(F)c(C(=O)N2Cc3cccc(O)c3C2)c1 ZINC001587928059 1192425613 /nfs/dbraw/zinc/42/56/13/1192425613.db2.gz IBWYCBZXBWTERD-UHFFFAOYSA-N 0 0 321.735 3.349 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cccc(C)c1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001590469787 1192512195 /nfs/dbraw/zinc/51/21/95/1192512195.db2.gz QXMXBTDYZSKLKY-MRXNPFEDSA-N 0 0 323.400 3.122 20 10 DGCDRN CCc1oc2ccccc2c1C(=O)NCc1cccc(O)c1O ZINC001593739685 1192640373 /nfs/dbraw/zinc/64/03/73/1192640373.db2.gz SXYKJPHUBWLBHY-UHFFFAOYSA-N 0 0 311.337 3.336 20 10 DGCDRN CC(C)[C@H](Cc1ccccc1)C(=O)NCc1cc(O)ccc1O ZINC001593873712 1192640775 /nfs/dbraw/zinc/64/07/75/1192640775.db2.gz XLRULEMFTXPSEE-KRWDZBQOSA-N 0 0 313.397 3.229 20 10 DGCDRN CC(C)(C(=O)NCc1cc(O)ccc1O)c1ccccc1Cl ZINC001593872684 1192641047 /nfs/dbraw/zinc/64/10/47/1192641047.db2.gz ATOJFEGADMPMSU-UHFFFAOYSA-N 0 0 319.788 3.345 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CC[C@H]2C)ccc1C ZINC001594780984 1192649108 /nfs/dbraw/zinc/64/91/08/1192649108.db2.gz WAMJRTVXFRJBAG-CYBMUJFWSA-N 0 0 310.397 3.449 20 10 DGCDRN C[N@@H+]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1(C)C ZINC000211457856 1176083609 /nfs/dbraw/zinc/08/36/09/1176083609.db2.gz ARWJPEYKWROTNN-UHFFFAOYSA-N 0 0 303.233 3.225 20 10 DGCDRN O=C(NCc1c(O)cccc1O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC001597574508 1192738649 /nfs/dbraw/zinc/73/86/49/1192738649.db2.gz OEHLKPHDBRVHTR-HZSPNIEDSA-N 0 0 303.402 3.321 20 10 DGCDRN C[C@@H](CC(=O)NCc1c(O)cccc1O)c1ccccc1F ZINC001597574869 1192738885 /nfs/dbraw/zinc/73/88/85/1192738885.db2.gz UUJFECZLTFCEFU-NSHDSACASA-N 0 0 303.333 3.047 20 10 DGCDRN CCCc1cc(C(=O)NCc2c(O)ccc3ccccc32)no1 ZINC001597742535 1192745020 /nfs/dbraw/zinc/74/50/20/1192745020.db2.gz NBYYATIECNWKNL-UHFFFAOYSA-N 0 0 310.353 3.416 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cncc(C(=O)[O-])c1 ZINC001600236010 1192816354 /nfs/dbraw/zinc/81/63/54/1192816354.db2.gz FEIJNJXQRNVTIW-CYBMUJFWSA-N 0 0 313.401 3.005 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1cc(C(=O)[O-])co1 ZINC001600236018 1192817014 /nfs/dbraw/zinc/81/70/14/1192817014.db2.gz FQIPXDIGIUVSTH-LBPRGKRZSA-N 0 0 302.374 3.203 20 10 DGCDRN Cc1cc(O)c(C[N@@H+]2CCSC[C@@H](C(=O)[O-])C2)cc1C(C)C ZINC001600286880 1192827102 /nfs/dbraw/zinc/82/71/02/1192827102.db2.gz YVQDVWXGLGMUDY-AWEZNQCLSA-N 0 0 323.458 3.074 20 10 DGCDRN Cc1cc(O)c(C[NH2+]CCc2ccccc2C(=O)[O-])c(Cl)c1 ZINC001600286651 1192827365 /nfs/dbraw/zinc/82/73/65/1192827365.db2.gz USVPLAYAHJHJGQ-UHFFFAOYSA-N 0 0 319.788 3.385 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1-c1ncc[nH]1 ZINC001179687641 1177804108 /nfs/dbraw/zinc/80/41/08/1177804108.db2.gz QSUOBXGTBYVROG-SOFGYWHQSA-N 0 0 321.336 3.140 20 10 DGCDRN Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(OCC(=O)[O-])c2)c1 ZINC001600464777 1192858329 /nfs/dbraw/zinc/85/83/29/1192858329.db2.gz KERCWVUZZAHDLD-CYBMUJFWSA-N 0 0 315.369 3.015 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCC[C@H]1CCCC1(F)F ZINC001331088766 1178132344 /nfs/dbraw/zinc/13/23/44/1178132344.db2.gz AODLHXZAYKZREU-TXNVCOODSA-N 0 0 312.312 3.480 20 10 DGCDRN Cc1cc(C)c(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)[nH]1 ZINC001331381085 1178200204 /nfs/dbraw/zinc/20/02/04/1178200204.db2.gz OUIFKCRKGOKFHU-HNNXBMFYSA-N 0 0 313.445 3.367 20 10 DGCDRN Cc1ccccc1[C@@H](C(=O)[O-])N1CCCc2cc(C[NH3+])ccc21 ZINC001600570451 1192877028 /nfs/dbraw/zinc/87/70/28/1192877028.db2.gz XFVYTSHDFUKHLR-SFHVURJKSA-N 0 0 310.397 3.032 20 10 DGCDRN Cn1c2ccc(F)cc2c(C[NH2+]CCCC(F)F)c1C(=O)[O-] ZINC001600901510 1192909860 /nfs/dbraw/zinc/90/98/60/1192909860.db2.gz IQRQPIMOQAIACZ-UHFFFAOYSA-N 0 0 314.307 3.151 20 10 DGCDRN CN(C(=O)NCc1ccc(N)cc1)[C@@H]1CCCc2ccccc21 ZINC001335730143 1178945906 /nfs/dbraw/zinc/94/59/06/1178945906.db2.gz JWOWDTWJUJXICC-GOSISDBHSA-N 0 0 309.413 3.488 20 10 DGCDRN C[C@H]1C[C@H](c2ccccc2)CN1C(=O)NCc1ccc(N)cc1 ZINC001335736683 1178946896 /nfs/dbraw/zinc/94/68/96/1178946896.db2.gz FSHGTIHRQCTKSH-YOEHRIQHSA-N 0 0 309.413 3.356 20 10 DGCDRN CC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001336118122 1178995407 /nfs/dbraw/zinc/99/54/07/1178995407.db2.gz DKSXUBPXDFQMAC-LJQANCHMSA-N 0 0 316.445 3.364 20 10 DGCDRN CCOc1ccccc1NCc1ccc(OC)c(OC)c1O ZINC001342882043 1179202889 /nfs/dbraw/zinc/20/28/89/1179202889.db2.gz WTTJKOLRJUBAIJ-UHFFFAOYSA-N 0 0 303.358 3.420 20 10 DGCDRN CCn1cc(COC(=O)c2cc(C)n(-c3ccccn3)c2C)cn1 ZINC001343848054 1179338515 /nfs/dbraw/zinc/33/85/15/1179338515.db2.gz AXAJAIJNTHMIEC-UHFFFAOYSA-N 0 0 324.384 3.063 20 10 DGCDRN CC[C@@H](C)n1nccc1C(=O)NCCCSc1nccs1 ZINC001346433075 1179700239 /nfs/dbraw/zinc/70/02/39/1179700239.db2.gz RPWDXNHEDPMWQE-LLVKDONJSA-N 0 0 324.475 3.223 20 10 DGCDRN C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)NCc1ccc(N)cc1 ZINC001346738262 1179741502 /nfs/dbraw/zinc/74/15/02/1179741502.db2.gz FSZDHQRVCSNAEQ-KDOFPFPSSA-N 0 0 309.413 3.356 20 10 DGCDRN O=C(Nc1c2nonc2ccc1Cl)[C@H]1Cc2ccc(F)cc21 ZINC001346941676 1179763786 /nfs/dbraw/zinc/76/37/86/1179763786.db2.gz WMHWTCBHOOLRRK-JTQLQIEISA-N 0 0 317.707 3.294 20 10 DGCDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)[C@H]1COC(=O)N1 ZINC001348619404 1179841372 /nfs/dbraw/zinc/84/13/72/1179841372.db2.gz AVIZLSCUFVSOJI-CQSZACIVSA-N 0 0 310.313 3.149 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc(F)c3cccnc23)cc1 ZINC001348910243 1179850104 /nfs/dbraw/zinc/85/01/04/1179850104.db2.gz NOKMXVNUCHOTRB-UHFFFAOYSA-N 0 0 323.371 3.370 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCC[C@H](F)C1 ZINC001348957285 1179856922 /nfs/dbraw/zinc/85/69/22/1179856922.db2.gz FOSMVSZZTACFLD-CVEARBPZSA-N 0 0 304.409 3.431 20 10 DGCDRN C[C@H](NC(=O)Nc1ccc(C(C)(C)C)nn1)c1ccccc1O ZINC001349672797 1179930934 /nfs/dbraw/zinc/93/09/34/1179930934.db2.gz HYTLNPMPCSGSQV-NSHDSACASA-N 0 0 314.389 3.362 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cccc(F)n1 ZINC001351162092 1180181383 /nfs/dbraw/zinc/18/13/83/1180181383.db2.gz CMAHQDONCGCWLC-UHFFFAOYSA-N 0 0 313.376 3.093 20 10 DGCDRN C[C@@H]1C[C@@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)[C@H](C)O1 ZINC001351674694 1180236258 /nfs/dbraw/zinc/23/62/58/1180236258.db2.gz XNOKYHPUIBQGOS-RVKKMQEKSA-N 0 0 316.445 3.059 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@H]2Cc3ccc(Cl)cc32)cc1 ZINC001352215022 1180309229 /nfs/dbraw/zinc/30/92/29/1180309229.db2.gz IGDOMEVTLBJZEJ-KRWDZBQOSA-N 0 0 314.816 3.362 20 10 DGCDRN Cc1ccc(CNC(=S)NCc2cccc(C)c2O)cc1 ZINC001200322299 1180543934 /nfs/dbraw/zinc/54/39/34/1180543934.db2.gz MFVDALXTWXAESB-UHFFFAOYSA-N 0 0 300.427 3.173 20 10 DGCDRN Cc1ccc(NC(=S)NCc2ncccc2O)c(Cl)c1 ZINC001200342149 1180561776 /nfs/dbraw/zinc/56/17/76/1180561776.db2.gz BYCLCZLMKUJUPW-UHFFFAOYSA-N 0 0 307.806 3.236 20 10 DGCDRN CC(=O)C1(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)CC1 ZINC001354059655 1180713773 /nfs/dbraw/zinc/71/37/73/1180713773.db2.gz UGMYZNSZDRXYPW-UHFFFAOYSA-N 0 0 310.397 3.254 20 10 DGCDRN Cc1onc(-c2cccnc2)c1C(=O)N1CCOc2ccccc21 ZINC001354068167 1180714830 /nfs/dbraw/zinc/71/48/30/1180714830.db2.gz BNRSMOZYYNFSHJ-UHFFFAOYSA-N 0 0 321.336 3.084 20 10 DGCDRN CN(Cc1cccc2cccnc21)C(=S)NCc1ccco1 ZINC001200562736 1180720535 /nfs/dbraw/zinc/72/05/35/1180720535.db2.gz RUYRRXFOKKOIQE-UHFFFAOYSA-N 0 0 311.410 3.334 20 10 DGCDRN Oc1cccc2c1CN(C(=S)Nc1cc(F)cc(F)c1)CC2 ZINC001200667352 1180796076 /nfs/dbraw/zinc/79/60/76/1180796076.db2.gz QLGUQHWLPVOHLY-UHFFFAOYSA-N 0 0 320.364 3.426 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](OC)C2CCCC2)cc1 ZINC001355015440 1180962504 /nfs/dbraw/zinc/96/25/04/1180962504.db2.gz NICWRIRZBGKPPG-SFHVURJKSA-N 0 0 318.461 3.354 20 10 DGCDRN CCN(CC)c1ccc(C=Cc2ccncc2-c2nn[nH]n2)cc1 ZINC001604288032 1193063936 /nfs/dbraw/zinc/06/39/36/1193063936.db2.gz HMQGMXWWAKMRFE-VMPITWQZSA-N 0 0 320.400 3.278 20 10 DGCDRN C[C@H]([NH2+][C@H]1CCc2ccccc2C1)c1cc(C(=O)[O-])ccc1O ZINC001604326290 1193065272 /nfs/dbraw/zinc/06/52/72/1193065272.db2.gz GNKJTAZBQXQKSU-LRDDRELGSA-N 0 0 311.381 3.299 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc2c(c1)CCC2)c1cc(C(=O)[O-])ccc1O ZINC001604346883 1193067606 /nfs/dbraw/zinc/06/76/06/1193067606.db2.gz SZUZKMMNFBYOGF-GFCCVEGCSA-N 0 0 311.381 3.430 20 10 DGCDRN COc1ccc(CNc2ncccc2OC(C)C)c(O)c1OC ZINC001355281288 1181026710 /nfs/dbraw/zinc/02/67/10/1181026710.db2.gz XJWXLWFGLAUPGI-UHFFFAOYSA-N 0 0 318.373 3.204 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C\c2cccnc2C)cc1F ZINC001355872981 1181106877 /nfs/dbraw/zinc/10/68/77/1181106877.db2.gz XDRPWPHANJETTB-TWGQIWQCSA-N 0 0 300.333 3.214 20 10 DGCDRN CCO[C@@H](CC)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001356256100 1181166031 /nfs/dbraw/zinc/16/60/31/1181166031.db2.gz OFSDHCDIYOFGMC-KRWDZBQOSA-N 0 0 304.434 3.060 20 10 DGCDRN C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001604753563 1193092284 /nfs/dbraw/zinc/09/22/84/1193092284.db2.gz DFZPWINLUVAGAX-WDEREUQCSA-N 0 0 304.365 3.246 20 10 DGCDRN C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)NCc1ccc(N)cc1 ZINC001357791858 1181428008 /nfs/dbraw/zinc/42/80/08/1181428008.db2.gz QCBSLAYPKPXPFR-ZYHUDNBSSA-N 0 0 315.339 3.141 20 10 DGCDRN Cc1cccc([C@H]2CCN(C(=O)NCc3ccc(N)cc3)C2)c1 ZINC001357791377 1181428130 /nfs/dbraw/zinc/42/81/30/1181428130.db2.gz LDJSSNSBFCNGSD-KRWDZBQOSA-N 0 0 309.413 3.276 20 10 DGCDRN COc1cc2c(c(OC)c1)N(C[C@@H]1C[C@H]3CCC[C@@H]3O1)CCC2 ZINC001473553106 1181546144 /nfs/dbraw/zinc/54/61/44/1181546144.db2.gz BRKBKHXEDZKADF-COXVUDFISA-N 0 0 317.429 3.414 20 10 DGCDRN COC(=O)[C@@H](CC(C)(C)C)NC/C=C\c1ccc(N(C)C)cc1 ZINC001474596533 1181593840 /nfs/dbraw/zinc/59/38/40/1181593840.db2.gz JAFVISYSIFDWGE-ZPUOCTKUSA-N 0 0 318.461 3.333 20 10 DGCDRN CN(C(=O)/C=C/c1cnc2ccccc2n1)c1ccc(Cl)nc1 ZINC001436086305 1181866535 /nfs/dbraw/zinc/86/65/35/1181866535.db2.gz CDWYZKJOJJTKSO-RMKNXTFCSA-N 0 0 324.771 3.354 20 10 DGCDRN Cc1c(NC(=O)c2ccc(N=NC(N)=O)cc2)n[nH]c1C1CC1 ZINC001443249612 1182097505 /nfs/dbraw/zinc/09/75/05/1182097505.db2.gz QKIXPLNENSXRNP-UHFFFAOYSA-N 0 0 312.333 3.010 20 10 DGCDRN CC[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001443672419 1182106085 /nfs/dbraw/zinc/10/60/85/1182106085.db2.gz HUXHXDNMGKZGNW-AWEZNQCLSA-N 0 0 313.397 3.468 20 10 DGCDRN Cc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(F)c1F ZINC001447561009 1182192067 /nfs/dbraw/zinc/19/20/67/1182192067.db2.gz HGEZFKZATUFHPX-SNVBAGLBSA-N 0 0 321.323 3.045 20 10 DGCDRN C[C@H](NC(=O)c1cccc(O)c1F)c1ccc(N(C)C)cc1 ZINC001447968434 1182199586 /nfs/dbraw/zinc/19/95/86/1182199586.db2.gz JACFXYLQHHDHDZ-NSHDSACASA-N 0 0 302.349 3.088 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)CC[C@@H](C)SC ZINC001449124878 1182222762 /nfs/dbraw/zinc/22/27/62/1182222762.db2.gz SGTAVSOGQFNOPC-LLVKDONJSA-N 0 0 302.436 3.026 20 10 DGCDRN CCc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1OC ZINC001449716773 1182233326 /nfs/dbraw/zinc/23/33/26/1182233326.db2.gz WCPUASGEJPTXCR-WEVVVXLNSA-N 0 0 313.353 3.321 20 10 DGCDRN CCN(C)c1ccc(C[N@H+](C)[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC001605410773 1193149577 /nfs/dbraw/zinc/14/95/77/1193149577.db2.gz KKGJXAARXSJEJE-SFHVURJKSA-N 0 0 312.413 3.400 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H]1CC2CCC1CC2 ZINC001452140643 1182282112 /nfs/dbraw/zinc/28/21/12/1182282112.db2.gz NGOWPJWSXRCHMX-IDDZNXABSA-N 0 0 301.386 3.054 20 10 DGCDRN CCc1cccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001452768602 1182300687 /nfs/dbraw/zinc/30/06/87/1182300687.db2.gz SRLUZPLTUAPOPD-UHFFFAOYSA-N 0 0 310.357 3.341 20 10 DGCDRN CCSc1ccc(C(=O)NCc2cc(Cl)ccc2O)cn1 ZINC001452945303 1182305020 /nfs/dbraw/zinc/30/50/20/1182305020.db2.gz LUCVQEXUXRIHMM-UHFFFAOYSA-N 0 0 322.817 3.483 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1nc(Cl)ccc1F ZINC001452936475 1182305115 /nfs/dbraw/zinc/30/51/15/1182305115.db2.gz PBBGGURJPKTHCG-UHFFFAOYSA-N 0 0 315.131 3.163 20 10 DGCDRN C[C@@H]1N(C(=O)Cc2ccc(O)c(O)c2)c2ccccc2C1(C)C ZINC001453430611 1182315498 /nfs/dbraw/zinc/31/54/98/1182315498.db2.gz HQEDJXIZAZORDZ-LBPRGKRZSA-N 0 0 311.381 3.353 20 10 DGCDRN COc1cccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1C ZINC001453439217 1182316730 /nfs/dbraw/zinc/31/67/30/1182316730.db2.gz MCJOROHMIZZETR-UHFFFAOYSA-N 0 0 312.329 3.418 20 10 DGCDRN Cc1cc2c(CCNC(=O)C3=CC(=O)CS3)c[nH]c2cc1F ZINC001454260363 1182335408 /nfs/dbraw/zinc/33/54/08/1182335408.db2.gz BRYSRRSBJACQON-UHFFFAOYSA-N 0 0 318.373 3.355 20 10 DGCDRN Cc1cc(CNC(=O)c2[nH]c(C)nc2C)c(C)n1-c1ccccc1 ZINC001454623912 1182348946 /nfs/dbraw/zinc/34/89/46/1182348946.db2.gz JONNCBGMDOEHNA-UHFFFAOYSA-N 0 0 322.412 3.364 20 10 DGCDRN COc1ccccc1C(F)(F)C(=O)N1Cc2cccc(O)c2C1 ZINC001455037299 1182358677 /nfs/dbraw/zinc/35/86/77/1182358677.db2.gz OPRJPEQEUIISRD-UHFFFAOYSA-N 0 0 319.307 3.035 20 10 DGCDRN Cc1ccc(C(=O)N2CCC[C@H](C3CCC3)CC2)c(O)c1O ZINC001455084275 1182359592 /nfs/dbraw/zinc/35/95/92/1182359592.db2.gz FMCVPXSPDZSFID-AWEZNQCLSA-N 0 0 303.402 3.449 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1csc(C(F)(F)F)c1 ZINC001455317259 1182366675 /nfs/dbraw/zinc/36/66/75/1182366675.db2.gz SXRNYNVAMUDKJA-UHFFFAOYSA-N 0 0 317.288 3.108 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)C1(CCc2ccccc2)CC1 ZINC001455352584 1182367035 /nfs/dbraw/zinc/36/70/35/1182367035.db2.gz IPEILLGCLCGHRF-UHFFFAOYSA-N 0 0 311.381 3.127 20 10 DGCDRN Cc1ccc(C(C)(C)C(=O)NCc2c(O)cccc2F)cc1 ZINC001456093815 1182397029 /nfs/dbraw/zinc/39/70/29/1182397029.db2.gz OJJQZKJOFKFZER-UHFFFAOYSA-N 0 0 301.361 3.434 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1ncc2n1CCCC2 ZINC001456310996 1182409614 /nfs/dbraw/zinc/40/96/14/1182409614.db2.gz RRKCGCAPQNYOEB-UHFFFAOYSA-N 0 0 321.380 3.008 20 10 DGCDRN CCc1ccc(CN(C)C(=O)c2c(F)ccc(O)c2O)cc1 ZINC001457502767 1182468697 /nfs/dbraw/zinc/46/86/97/1182468697.db2.gz ABLZQIQPZCQAHF-UHFFFAOYSA-N 0 0 303.333 3.072 20 10 DGCDRN Cc1cc(CNC(=O)c2n[nH]c(C)c2C)c(C)n1-c1ccccc1 ZINC001457974027 1182487867 /nfs/dbraw/zinc/48/78/67/1182487867.db2.gz QULUSRPMSMBEJH-UHFFFAOYSA-N 0 0 322.412 3.364 20 10 DGCDRN COc1ccc([C@@H](C)NC(=O)c2c(F)ccc(O)c2O)cc1C ZINC001458028094 1182491528 /nfs/dbraw/zinc/49/15/28/1182491528.db2.gz UVEAGRDDBSTTAR-SNVBAGLBSA-N 0 0 319.332 3.045 20 10 DGCDRN Cc1ncccc1/C=C\C(=O)N1C[C@@H](C)Oc2c(F)cccc21 ZINC001459125090 1182569804 /nfs/dbraw/zinc/56/98/04/1182569804.db2.gz NWPAMABUAMCOQF-JLVNDZCYSA-N 0 0 312.344 3.356 20 10 DGCDRN COc1ccc(N(CCNC(=O)C2CC2)Cc2ccccc2)cc1 ZINC001459743745 1182611921 /nfs/dbraw/zinc/61/19/21/1182611921.db2.gz DSABCAZWXJBHDH-UHFFFAOYSA-N 0 0 324.424 3.228 20 10 DGCDRN COc1ccc2c(c1)CCCCN2CCc1ccc(C(N)=O)cc1 ZINC001459776997 1182615128 /nfs/dbraw/zinc/61/51/28/1182615128.db2.gz DCNCUYTWGJJOKG-UHFFFAOYSA-N 0 0 324.424 3.180 20 10 DGCDRN COC(=O)[C@@]1(NCc2ccc(OC)c(C)c2)CC[C@@H](C)CC1 ZINC001460390115 1182684931 /nfs/dbraw/zinc/68/49/31/1182684931.db2.gz PDXPUAXPYNBLBG-KTXOBNNYSA-N 0 0 305.418 3.215 20 10 DGCDRN NC(=O)Nc1cccc(NCc2cc(Cl)cc(F)c2O)c1 ZINC001461305016 1182793565 /nfs/dbraw/zinc/79/35/65/1182793565.db2.gz WDWSRGHQHSIZKH-UHFFFAOYSA-N 0 0 309.728 3.287 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C/c2cnc3ccccc3n2)cc1 ZINC001461355288 1182798421 /nfs/dbraw/zinc/79/84/21/1182798421.db2.gz NJLDHSNHOVZKFY-KPKJPENVSA-N 0 0 319.364 3.315 20 10 DGCDRN Oc1cc(F)c(F)cc1CN1CCO[C@H](c2cccc(F)c2)C1 ZINC001461905620 1182875246 /nfs/dbraw/zinc/87/52/46/1182875246.db2.gz ANPKMVWNSBXBFI-KRWDZBQOSA-N 0 0 323.314 3.383 20 10 DGCDRN COc1cc(C)c(CN[C@H](C)c2nc(C(C)(C)C)no2)c(O)c1 ZINC001462183312 1182918892 /nfs/dbraw/zinc/91/88/92/1182918892.db2.gz HVZGCXZYXUWKIP-LLVKDONJSA-N 0 0 319.405 3.241 20 10 DGCDRN C/C=C/C[C@H](NCc1ccc(N(C)C)cc1C)C(=O)OCC ZINC001462187557 1182920973 /nfs/dbraw/zinc/92/09/73/1182920973.db2.gz DXCISXHMNBIKSQ-JKNJVXJCSA-N 0 0 304.434 3.049 20 10 DGCDRN COc1ccc(N(C)Cc2ccc3nccnc3c2)cc1OC ZINC001462387353 1182945918 /nfs/dbraw/zinc/94/59/18/1182945918.db2.gz YMRMRVWBRVKORO-UHFFFAOYSA-N 0 0 309.369 3.283 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@@H]1CCN(C2CCCCC2)C1 ZINC001462443481 1182953999 /nfs/dbraw/zinc/95/39/99/1182953999.db2.gz RHVVPAVMTGMXFW-CYBMUJFWSA-N 0 0 310.388 3.167 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OS(=O)(=O)c3ccns3)cc12 ZINC001463901683 1183055974 /nfs/dbraw/zinc/05/59/74/1183055974.db2.gz AXTTUEWLSXOVRH-UHFFFAOYSA-N 0 0 322.411 3.019 20 10 DGCDRN CC(C)OCc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001464420137 1183091147 /nfs/dbraw/zinc/09/11/47/1183091147.db2.gz SISMNUWFHUNION-UHFFFAOYSA-N 0 0 315.369 3.204 20 10 DGCDRN O=C(/C=C\c1ccc(Cl)nc1)NCc1cccc(Cl)c1O ZINC001606868389 1193206259 /nfs/dbraw/zinc/20/62/59/1193206259.db2.gz NYSRASZWKQUOLR-ALCCZGGFSA-N 0 0 323.179 3.424 20 10 DGCDRN O=C(Cc1cc(F)ccc1F)NCc1cccc(Cl)c1O ZINC001606860685 1193206388 /nfs/dbraw/zinc/20/63/88/1193206388.db2.gz PTUHRTBVPRRBOY-UHFFFAOYSA-N 0 0 311.715 3.183 20 10 DGCDRN O=C(Cc1nc(-c2ccccc2)cs1)NCc1ccccc1O ZINC001465990166 1183180675 /nfs/dbraw/zinc/18/06/75/1183180675.db2.gz DRXZUKLERVFNNV-UHFFFAOYSA-N 0 0 324.405 3.375 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(Cl)cc2N)c1 ZINC001465992315 1183181630 /nfs/dbraw/zinc/18/16/30/1183181630.db2.gz JHJCHGQJSOFDGT-SECBINFHSA-N 0 0 320.776 3.127 20 10 DGCDRN CO[C@H](C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O)c1ccccc1 ZINC001606679246 1193202751 /nfs/dbraw/zinc/20/27/51/1193202751.db2.gz AYPMPCKJOVEYLU-SJKOYZFVSA-N 0 0 315.369 3.129 20 10 DGCDRN COc1ccc(CNC(=O)C/C=C\Cc2ccccc2)c(O)c1 ZINC001467469490 1183264174 /nfs/dbraw/zinc/26/41/74/1183264174.db2.gz ACAADOFOUZZHOB-WAYWQWQTSA-N 0 0 311.381 3.206 20 10 DGCDRN Cc1cc(C(=O)N2CCCCN2)c(C)n1-c1ccc(Cl)cc1 ZINC001467841439 1183292644 /nfs/dbraw/zinc/29/26/44/1183292644.db2.gz SBDBPVWQFVZQJM-UHFFFAOYSA-N 0 0 317.820 3.488 20 10 DGCDRN CC[C@H](NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C)[C@@H](C)O ZINC001467991494 1183302876 /nfs/dbraw/zinc/30/28/76/1183302876.db2.gz LTHSTNJXBQGWAX-QAPCUYQASA-N 0 0 314.429 3.292 20 10 DGCDRN CC(C)(C)c1csc(NC(=O)Cc2ccc(O)c(O)c2)n1 ZINC001468074485 1183308744 /nfs/dbraw/zinc/30/87/44/1183308744.db2.gz WOVJNJVMWSXCDP-UHFFFAOYSA-N 0 0 306.387 3.033 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NCCC(C)(C)OC)cc1 ZINC001468121520 1183311155 /nfs/dbraw/zinc/31/11/55/1183311155.db2.gz LYZJDYMWUJGBBI-UHFFFAOYSA-N 0 0 321.465 3.147 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCC2CCC=CCC2)cc1F ZINC001468355391 1183327420 /nfs/dbraw/zinc/32/74/20/1183327420.db2.gz ZGDJKTLCHASJPS-UHFFFAOYSA-N 0 0 319.424 3.437 20 10 DGCDRN C[C@@](Cc1ccccc1)(NC(=O)c1cccc(O)c1O)C1CC1 ZINC001469072504 1183381711 /nfs/dbraw/zinc/38/17/11/1183381711.db2.gz FQLGTJILYYQBOT-IBGZPJMESA-N 0 0 311.381 3.239 20 10 DGCDRN Cc1cc(CNC(=O)NCc2ccon2)c(C)n1-c1ccccc1 ZINC001469132831 1183384647 /nfs/dbraw/zinc/38/46/47/1183384647.db2.gz YSZKHIFQPGBCOH-UHFFFAOYSA-N 0 0 324.384 3.082 20 10 DGCDRN Cc1cc(C)c(/C=C/C(=O)NCc2ccc(O)cc2O)cc1C ZINC001469161189 1183386798 /nfs/dbraw/zinc/38/67/98/1183386798.db2.gz HVQPVULTKCWAAC-FNORWQNLSA-N 0 0 311.381 3.353 20 10 DGCDRN CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001469337975 1183401187 /nfs/dbraw/zinc/40/11/87/1183401187.db2.gz JHYRXBFCNKIVTO-HUUCEWRRSA-N 0 0 317.429 3.315 20 10 DGCDRN CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001469337976 1183401410 /nfs/dbraw/zinc/40/14/10/1183401410.db2.gz JHYRXBFCNKIVTO-LSDHHAIUSA-N 0 0 317.429 3.315 20 10 DGCDRN COc1cc(F)cc(CNC(=O)N[C@H](C)c2ccccc2O)c1 ZINC001469436953 1183409284 /nfs/dbraw/zinc/40/92/84/1183409284.db2.gz AQDGAZDBDPVRAT-LLVKDONJSA-N 0 0 318.348 3.100 20 10 DGCDRN Cc1ccc([C@H](NC(=O)c2cccc(O)c2O)C(F)(F)F)o1 ZINC001469541561 1183415943 /nfs/dbraw/zinc/41/59/43/1183415943.db2.gz GCSZBAXVQRSMLT-LBPRGKRZSA-N 0 0 315.247 3.033 20 10 DGCDRN COc1c[nH]nc1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001469684914 1183429886 /nfs/dbraw/zinc/42/98/86/1183429886.db2.gz UUXPRQDBQAIBMJ-UHFFFAOYSA-N 0 0 310.357 3.078 20 10 DGCDRN C[C@H](NC(=O)NCc1cccc2cc[nH]c21)c1ccccc1O ZINC001469802683 1183439966 /nfs/dbraw/zinc/43/99/66/1183439966.db2.gz SWCCJMYOCMNLLY-LBPRGKRZSA-N 0 0 309.369 3.434 20 10 DGCDRN C[C@@H]1CCC[C@H](CNC(=O)N2Cc3cccc(O)c3C2)[C@H]1C ZINC001470000927 1183453764 /nfs/dbraw/zinc/45/37/64/1183453764.db2.gz KGAVTVSBHWPLGQ-HZSPNIEDSA-N 0 0 302.418 3.490 20 10 DGCDRN Cc1cc(CNC(=O)c2ccc(=O)[nH]c2)c(C)n1-c1ccccc1 ZINC001471018519 1183532261 /nfs/dbraw/zinc/53/22/61/1183532261.db2.gz UCPZVRUTPLKJGY-UHFFFAOYSA-N 0 0 321.380 3.125 20 10 DGCDRN C[C@H](NC(=O)c1ccc(P(C)(C)=O)cc1)c1ccccc1O ZINC001471198221 1183545585 /nfs/dbraw/zinc/54/55/85/1183545585.db2.gz GPTKCRSDQXQOAM-LBPRGKRZSA-N 0 0 317.325 3.131 20 10 DGCDRN C[C@H](NC(=O)c1ncccc1C(F)(F)F)c1ccccc1O ZINC001471194587 1183545601 /nfs/dbraw/zinc/54/56/01/1183545601.db2.gz LKRAVAAPOMJDGN-VIFPVBQESA-N 0 0 310.275 3.297 20 10 DGCDRN C[C@H](NC(=O)c1cccc2cc(=O)[nH]cc21)c1ccccc1O ZINC001471194590 1183545696 /nfs/dbraw/zinc/54/56/96/1183545696.db2.gz LODLHKUBMSCAHC-NSHDSACASA-N 0 0 308.337 3.137 20 10 DGCDRN CCOC(=O)C=Cc1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC001471397682 1183560565 /nfs/dbraw/zinc/56/05/65/1183560565.db2.gz ANHWENRIYIQQDF-VMPITWQZSA-N 0 0 317.366 3.282 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCc2c(F)cc(C)cc2F)c1 ZINC001471435930 1183563870 /nfs/dbraw/zinc/56/38/70/1183563870.db2.gz YAQKDLHEDXPTNU-UHFFFAOYSA-N 0 0 320.339 3.287 20 10 DGCDRN Cc1cc(C(=O)N2CC=C[C@@H]2CO)c(C)n1-c1cc(C)cc(C)c1 ZINC001471527110 1183571072 /nfs/dbraw/zinc/57/10/72/1183571072.db2.gz NWGKZNNYJYMVLK-QGZVFWFLSA-N 0 0 324.424 3.084 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1[nH]c2ccccc2c1Cl ZINC001471644778 1183580103 /nfs/dbraw/zinc/58/01/03/1183580103.db2.gz YSSMTPLMLXAYAI-UHFFFAOYSA-N 0 0 316.744 3.163 20 10 DGCDRN Cc1cc(Cl)c(C(=O)NCc2cc(O)ccc2O)cc1C ZINC001471661096 1183580282 /nfs/dbraw/zinc/58/02/82/1183580282.db2.gz HXALALNLZOATQL-UHFFFAOYSA-N 0 0 305.761 3.298 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC001471975711 1183604205 /nfs/dbraw/zinc/60/42/05/1183604205.db2.gz DSQKBLCLALNFBB-CHWSQXEVSA-N 0 0 303.308 3.090 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1ccccc1OC1CCC1 ZINC001471976127 1183604439 /nfs/dbraw/zinc/60/44/39/1183604439.db2.gz QZAUUESCRDTGAB-UHFFFAOYSA-N 0 0 315.344 3.393 20 10 DGCDRN CCCn1cc(C(=O)NCc2c(O)ccc3ccccc32)cn1 ZINC001472085178 1183614366 /nfs/dbraw/zinc/61/43/66/1183614366.db2.gz MCPFQUUVJILBQZ-UHFFFAOYSA-N 0 0 309.369 3.082 20 10 DGCDRN CCOc1ccc(N(C[C@@H](O)C(F)(F)F)CC2CC2)cc1 ZINC001473718633 1183792965 /nfs/dbraw/zinc/79/29/65/1183792965.db2.gz TVMQRSXPKFRNDS-CQSZACIVSA-N 0 0 303.324 3.225 20 10 DGCDRN CCN(CC)[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccco1 ZINC001473966166 1183839555 /nfs/dbraw/zinc/83/95/55/1183839555.db2.gz CJSJPDGWDPTKQB-HNNXBMFYSA-N 0 0 324.371 3.436 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[N@@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC001607667847 1193246566 /nfs/dbraw/zinc/24/65/66/1193246566.db2.gz VWAZNJGQHBVIDN-UHFFFAOYSA-N 0 0 310.397 3.275 20 10 DGCDRN CC(=O)N(C)c1ccc(NCc2c(O)ccc(Cl)c2F)cn1 ZINC001474186182 1183878480 /nfs/dbraw/zinc/87/84/80/1183878480.db2.gz VNHHHQBDVHKXEC-UHFFFAOYSA-N 0 0 323.755 3.175 20 10 DGCDRN COC(=O)CN(C/C=C/c1ccc(N(C)C)cc1)C1CCCC1 ZINC001474345912 1183907510 /nfs/dbraw/zinc/90/75/10/1183907510.db2.gz XIWVWNHWIUZRCB-VOTSOKGWSA-N 0 0 316.445 3.183 20 10 DGCDRN CCOC(=O)C[C@](C)([NH2+]Cc1cc(F)cc(F)c1[O-])C(C)C ZINC001474465946 1183926818 /nfs/dbraw/zinc/92/68/18/1183926818.db2.gz ZWBJSXTYMKVXBO-INIZCTEOSA-N 0 0 315.360 3.128 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1C[C@@H](C)NC(=O)c2ccccc21 ZINC001474556269 1183939921 /nfs/dbraw/zinc/93/99/21/1183939921.db2.gz FJQGFFTYLQTSIW-OAHLLOKOSA-N 0 0 323.440 3.200 20 10 DGCDRN O=c1[nH]c2cc(C[NH2+]Cc3cccc(Cl)c3[O-])ccc2o1 ZINC001474697755 1183963644 /nfs/dbraw/zinc/96/36/44/1183963644.db2.gz DBZVJNKJVKOXCH-UHFFFAOYSA-N 0 0 304.733 3.182 20 10 DGCDRN COc1c([O-])c(C[NH2+]C[C@H]2C[C@@H]2C2CCCC2)ccc1[N+](=O)[O-] ZINC001474755270 1183973424 /nfs/dbraw/zinc/97/34/24/1183973424.db2.gz ISHUAJQLJLPVIX-ZIAGYGMSSA-N 0 0 320.389 3.225 20 10 DGCDRN COc1cccc(CNC(=O)OCc2ccc(Cl)cc2)c1O ZINC001475005729 1183984875 /nfs/dbraw/zinc/98/48/75/1183984875.db2.gz CMYLCSPHGKUYHZ-UHFFFAOYSA-N 0 0 321.760 3.481 20 10 DGCDRN COc1cc(F)ccc1NC(=O)NCc1cc(C)ccc1O ZINC001475899751 1184022025 /nfs/dbraw/zinc/02/20/25/1184022025.db2.gz WPMPOOHUVJQSPY-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN COc1ccc(C)nc1NC(=O)NCc1cccc(Cl)c1O ZINC001476371035 1184037161 /nfs/dbraw/zinc/03/71/61/1184037161.db2.gz GNDQFFBKYSDUEQ-UHFFFAOYSA-N 0 0 321.764 3.079 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)Nc1ccnc(F)c1F ZINC001476888156 1184054843 /nfs/dbraw/zinc/05/48/43/1184054843.db2.gz NKMMVQYKLDFMRZ-UHFFFAOYSA-N 0 0 313.691 3.041 20 10 DGCDRN O=C(Nc1cncc(C(F)(F)F)c1)N1Cc2cccc(O)c2C1 ZINC001477221536 1184074294 /nfs/dbraw/zinc/07/42/94/1184074294.db2.gz OWTAQXRZRGHANH-UHFFFAOYSA-N 0 0 323.274 3.354 20 10 DGCDRN C[C@H]1CC[C@@H]1NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001478604496 1184163608 /nfs/dbraw/zinc/16/36/08/1184163608.db2.gz FBUBIESWYXDCCT-YOEHRIQHSA-N 0 0 301.434 3.227 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)NC[C@]2(C)CC2(C)C)cc1 ZINC001479197501 1184207939 /nfs/dbraw/zinc/20/79/39/1184207939.db2.gz FJDWMUKHQPOFLC-SFHVURJKSA-N 0 0 303.450 3.330 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@H]1CCCc2ccccc2C1 ZINC001479465168 1184255058 /nfs/dbraw/zinc/25/50/58/1184255058.db2.gz CRWFHZDRVAERLE-KRWDZBQOSA-N 0 0 310.397 3.139 20 10 DGCDRN O=C(NCc1c(O)cccc1F)NC[C@@H]1CCC=CCCC1 ZINC001479551341 1184267917 /nfs/dbraw/zinc/26/79/17/1184267917.db2.gz NTAAIOFABJGGMV-CYBMUJFWSA-N 0 0 306.381 3.467 20 10 DGCDRN C[C@@H]([NH2+][C@H](CO)CC1CCCCC1)c1cc(C(=O)[O-])ccc1O ZINC001609778740 1193355541 /nfs/dbraw/zinc/35/55/41/1193355541.db2.gz XOVKTELEQVZKEF-DOMZBBRYSA-N 0 0 321.417 3.072 20 10 DGCDRN CCCC(O)(CCC)C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001609958632 1193368026 /nfs/dbraw/zinc/36/80/26/1193368026.db2.gz SPKSEPVNWZTSCP-GFCCVEGCSA-N 0 0 309.406 3.072 20 10 DGCDRN COc1ccc(C[NH2+][C@H]2CCC[C@H](CCCC(=O)[O-])C2)c(O)c1 ZINC001610335781 1193382900 /nfs/dbraw/zinc/38/29/00/1193382900.db2.gz LMPLJTYEBMCRDS-HIFRSBDPSA-N 0 0 321.417 3.304 20 10 DGCDRN Cc1cc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC001610461090 1193390484 /nfs/dbraw/zinc/39/04/84/1193390484.db2.gz IUKCHHQWSVDSJU-TZMCWYRMSA-N 0 0 305.418 3.293 20 10 DGCDRN O=C([O-])[C@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1ccccc1O ZINC001610736681 1193405784 /nfs/dbraw/zinc/40/57/84/1193405784.db2.gz YOCJOGPZRURKAE-JKSUJKDBSA-N 0 0 303.402 3.248 20 10 DGCDRN O=C([O-])c1cccc2[nH]c(NCc3c(O)cccc3Cl)nc21 ZINC001610849871 1193412918 /nfs/dbraw/zinc/41/29/18/1193412918.db2.gz FGEBZQVSPNWADY-UHFFFAOYSA-N 0 0 317.732 3.232 20 10 DGCDRN C/C(=C/c1cccnc1)C(=O)N(C)c1cccnc1N1CCCC1 ZINC001516053907 1186776283 /nfs/dbraw/zinc/77/62/83/1186776283.db2.gz KOIZLHRBUHBNCW-SQFISAMPSA-N 0 0 322.412 3.143 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(CO)cc1 ZINC001517790465 1186821099 /nfs/dbraw/zinc/82/10/99/1186821099.db2.gz FDGGJZAHISBOTE-UHFFFAOYSA-N 0 0 314.385 3.329 20 10 DGCDRN C[C@@H]1CCCN(c2nnc(C3SC=CC3=O)n2CC2CC2)C1 ZINC001518342447 1186838079 /nfs/dbraw/zinc/83/80/79/1186838079.db2.gz AURCVPOOUVWVFL-LLVKDONJSA-N 0 0 318.446 3.359 20 10 DGCDRN Cn1c(C2SC=CC2=O)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001519506874 1186879220 /nfs/dbraw/zinc/87/92/20/1186879220.db2.gz MGDLNFYKHRNQTB-SNVBAGLBSA-N 0 0 306.435 3.122 20 10 DGCDRN CN(Cc1ccccc1O)c1nnc([C@H]2CCC(F)(F)C2)n1C ZINC001520075886 1186915201 /nfs/dbraw/zinc/91/52/01/1186915201.db2.gz PVPPFRMNLRJLHX-NSHDSACASA-N 0 0 322.359 3.060 20 10 DGCDRN C[C@H]1CN(c2nnc(C3SC=CC3=O)n2CC2CC2)C[C@@H]1C ZINC001520580900 1186954848 /nfs/dbraw/zinc/95/48/48/1186954848.db2.gz MWTAERFUSHVVKA-QWRGUYRKSA-N 0 0 318.446 3.214 20 10 DGCDRN C[C@@H]1C[C@H]1c1nnc(N(C)Cc2ccccc2O)n1CC1CC1 ZINC001521095369 1186996049 /nfs/dbraw/zinc/99/60/49/1186996049.db2.gz HICAICPGKCWTOK-IUODEOHRSA-N 0 0 312.417 3.154 20 10 DGCDRN O=C(NC[C@H]1C[C@H]1C1CCCC1)N1Cc2cccc(O)c2C1 ZINC001521342134 1187016155 /nfs/dbraw/zinc/01/61/55/1187016155.db2.gz CVEQTRWBHFUNKE-CABCVRRESA-N 0 0 300.402 3.244 20 10 DGCDRN O=C(NC[C@@H]1C[C@@H]1Cc1ccccc1)N1Cc2cccc(O)c2C1 ZINC001521519171 1187027620 /nfs/dbraw/zinc/02/76/20/1187027620.db2.gz PGJBZVXPJIYMGM-IRXDYDNUSA-N 0 0 322.408 3.296 20 10 DGCDRN C[C@H](NC(=O)c1cnc2cc[nH]c2c1)c1ccc(N(C)C)cc1 ZINC001523640102 1187177269 /nfs/dbraw/zinc/17/72/69/1187177269.db2.gz YGRKVZIVQNMLQD-LBPRGKRZSA-N 0 0 308.385 3.120 20 10 DGCDRN Cn1cnc(/C=C\C(=O)N2CCc3cc(C(C)(C)C)ccc32)c1 ZINC001524070812 1187212822 /nfs/dbraw/zinc/21/28/22/1187212822.db2.gz ZDYUOEVOHHDUCW-VURMDHGXSA-N 0 0 309.413 3.320 20 10 DGCDRN O=C(CCCc1cccnc1)Nc1c2nonc2ccc1Cl ZINC001525081239 1187295222 /nfs/dbraw/zinc/29/52/22/1187295222.db2.gz OIBQYFFENXAZHY-UHFFFAOYSA-N 0 0 316.748 3.233 20 10 DGCDRN Cc1cncc(/C=C\C(=O)N2CCOc3c(F)ccc(F)c32)c1 ZINC001527646018 1187440337 /nfs/dbraw/zinc/44/03/37/1187440337.db2.gz AULYJMWQCNKZOI-DJWKRKHSSA-N 0 0 316.307 3.107 20 10 DGCDRN CN(C(=O)/C=C/c1cnc2ccccc2n1)c1cccc(Cl)n1 ZINC001528249819 1187478472 /nfs/dbraw/zinc/47/84/72/1187478472.db2.gz PBLMNVMIAZENGL-MDZDMXLPSA-N 0 0 324.771 3.354 20 10 DGCDRN O=C(CCCCc1cccc(O)c1)N1Cc2cccc(O)c2C1 ZINC001528648942 1187504769 /nfs/dbraw/zinc/50/47/69/1187504769.db2.gz GCBKADZVVMSICI-UHFFFAOYSA-N 0 0 311.381 3.353 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@]23C[C@H]2CCCC3)cc1 ZINC001530904589 1187652642 /nfs/dbraw/zinc/65/26/42/1187652642.db2.gz IUFZQDWJJVEJNK-DNVCBOLYSA-N 0 0 316.445 3.170 20 10 DGCDRN NC(=O)[C@@H](Cc1ccc(F)cc1)Sc1ncc(Cl)s1 ZINC001614768444 1193505654 /nfs/dbraw/zinc/50/56/54/1193505654.db2.gz JKJSINVIKFHKFU-SECBINFHSA-N 0 0 316.810 3.124 20 10 DGCDRN CC[C@H]1CCC[C@@H]1C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001531375044 1187682493 /nfs/dbraw/zinc/68/24/93/1187682493.db2.gz PSBNBUSIHPNKLI-YJBOKZPZSA-N 0 0 318.461 3.416 20 10 DGCDRN CC[C@H](C)CCC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001531375191 1187682737 /nfs/dbraw/zinc/68/27/37/1187682737.db2.gz RQGXTLYOTKXIDK-HNNXBMFYSA-N 0 0 306.450 3.416 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)OCc2cc(C)n(C)n2)cc1 ZINC001534502195 1187905165 /nfs/dbraw/zinc/90/51/65/1187905165.db2.gz HKLIOBFGQIHQAH-UHFFFAOYSA-N 0 0 323.396 3.493 20 10 DGCDRN Cc1ccc(N(CC2CC2)C(=O)/C=C/c2cn(C)cn2)cc1F ZINC001534690276 1187915315 /nfs/dbraw/zinc/91/53/15/1187915315.db2.gz CIIBUUTXCZPVBI-SOFGYWHQSA-N 0 0 313.376 3.324 20 10 DGCDRN C/C(=C\c1cccnc1)C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC001537380807 1188070054 /nfs/dbraw/zinc/07/00/54/1188070054.db2.gz JOCOWTXKQIXZRT-JLHYYAGUSA-N 0 0 323.352 3.373 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCOC2)c1 ZINC001537997737 1188112207 /nfs/dbraw/zinc/11/22/07/1188112207.db2.gz ZGVMDAWHESSNTE-UHFFFAOYSA-N 0 0 304.777 3.177 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccnc(Cl)c2Cl)cc1 ZINC001539049405 1188175555 /nfs/dbraw/zinc/17/55/55/1188175555.db2.gz GZWCUUVKIFYOGB-UHFFFAOYSA-N 0 0 324.211 3.384 20 10 DGCDRN CN(C)c1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001540165709 1188221468 /nfs/dbraw/zinc/22/14/68/1188221468.db2.gz YCSCPCQTTKWGGP-UHFFFAOYSA-N 0 0 311.345 3.167 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)c2ccnn2C)cc1 ZINC001540304744 1188230374 /nfs/dbraw/zinc/23/03/74/1188230374.db2.gz NJMNNLWYNABNBV-UHFFFAOYSA-N 0 0 308.385 3.104 20 10 DGCDRN COCCC(C)(C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001540486912 1188242441 /nfs/dbraw/zinc/24/24/41/1188242441.db2.gz FQKBVMZBGFITBB-UHFFFAOYSA-N 0 0 318.461 3.308 20 10 DGCDRN CC(C)c1ccc(CN(C)C(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001540733782 1188257858 /nfs/dbraw/zinc/25/78/58/1188257858.db2.gz DTOZQMRYSWASMX-UHFFFAOYSA-N 0 0 313.397 3.422 20 10 DGCDRN CCOc1ccc(N(CC)C(=O)c2cccc(O)c2O)cc1 ZINC001543404583 1188332091 /nfs/dbraw/zinc/33/20/91/1188332091.db2.gz MVIAGHBNBNDUEJ-UHFFFAOYSA-N 0 0 301.342 3.163 20 10 DGCDRN CCCN(Cc1ccc(F)cc1)C(=O)c1cccc(O)c1O ZINC001543547747 1188340697 /nfs/dbraw/zinc/34/06/97/1188340697.db2.gz TVYQJRVRWAZUJW-UHFFFAOYSA-N 0 0 303.333 3.289 20 10 DGCDRN CSc1ccc(C(=O)NCc2ccc3cccnc3c2O)o1 ZINC001557123509 1189042542 /nfs/dbraw/zinc/04/25/42/1189042542.db2.gz PQOPJICPJQBLLA-UHFFFAOYSA-N 0 0 314.366 3.185 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1F ZINC001557123218 1189042657 /nfs/dbraw/zinc/04/26/57/1189042657.db2.gz VUJCBNFKDKYXSC-UHFFFAOYSA-N 0 0 310.328 3.318 20 10 DGCDRN Cc1cccnc1/C=C\C(=O)NCc1cc(Cl)ccc1O ZINC001557386094 1189060836 /nfs/dbraw/zinc/06/08/36/1189060836.db2.gz CMOPDNOQSKNTQX-ALCCZGGFSA-N 0 0 302.761 3.079 20 10 DGCDRN CC(=O)c1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001557385445 1189061178 /nfs/dbraw/zinc/06/11/78/1189061178.db2.gz DKKLJJQZCFBEOV-UHFFFAOYSA-N 0 0 303.745 3.178 20 10 DGCDRN Cc1sc(Cl)nc1C(=O)NCc1cc(Cl)ccc1O ZINC001557387594 1189061254 /nfs/dbraw/zinc/06/12/54/1189061254.db2.gz WRYCWROGVBLSFA-UHFFFAOYSA-N 0 0 317.197 3.394 20 10 DGCDRN Cc1cc(C(=O)NCc2cc(Cl)ccc2O)cc(Cl)n1 ZINC001557386008 1189061313 /nfs/dbraw/zinc/06/13/13/1189061313.db2.gz BAETWGMAXXJGHR-UHFFFAOYSA-N 0 0 311.168 3.332 20 10 DGCDRN O=C(Nc1ccc(Oc2cccnn2)cc1)C1=CC(=O)CS1 ZINC001557660895 1189077664 /nfs/dbraw/zinc/07/76/64/1189077664.db2.gz XKUFHGKYCQQGEP-UHFFFAOYSA-N 0 0 313.338 3.288 20 10 DGCDRN C[C@@H](NC(=O)c1occc1Br)c1ccccc1O ZINC001557967288 1189094973 /nfs/dbraw/zinc/09/49/73/1189094973.db2.gz ZJIYGUGPDQZLQM-MRVPVSSYSA-N 0 0 310.147 3.239 20 10 DGCDRN C[C@H](NC(=O)Cc1nsc2ccccc21)c1ccccc1O ZINC001557967892 1189095908 /nfs/dbraw/zinc/09/59/08/1189095908.db2.gz ADPLZNVNBTUYFF-NSHDSACASA-N 0 0 312.394 3.422 20 10 DGCDRN C[C@H](NC(=O)[C@H]1CCOc2c(F)cccc21)c1ccccc1O ZINC001557968557 1189095923 /nfs/dbraw/zinc/09/59/23/1189095923.db2.gz IPCZHQVQJIJQPH-FZMZJTMJSA-N 0 0 315.344 3.275 20 10 DGCDRN Cc1cc(C(=O)N2Cc3cccc(O)c3C2)oc1Br ZINC001558036232 1189100785 /nfs/dbraw/zinc/10/07/85/1189100785.db2.gz XKNFEVLEGJDKAG-UHFFFAOYSA-N 0 0 322.158 3.212 20 10 DGCDRN O=C(c1ccc(-n2cccc2)cc1)N1Cc2cccc(O)c2C1 ZINC001558034369 1189100816 /nfs/dbraw/zinc/10/08/16/1189100816.db2.gz DKOQSAFCHPRGPY-UHFFFAOYSA-N 0 0 304.349 3.339 20 10 DGCDRN Cc1cccc(OCCC(=O)NCc2c(O)cccc2F)c1C ZINC001558455719 1189126489 /nfs/dbraw/zinc/12/64/89/1189126489.db2.gz XJLWUYUJIWELJO-UHFFFAOYSA-N 0 0 317.360 3.233 20 10 DGCDRN O=C(NCc1c(O)cccc1O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001558536153 1189132133 /nfs/dbraw/zinc/13/21/33/1189132133.db2.gz UXOURCOJQSWZAN-KOLCDFICSA-N 0 0 317.307 3.083 20 10 DGCDRN O=C(NCc1c(O)cccc1O)C1(Sc2ccccc2)CC1 ZINC001558534893 1189132338 /nfs/dbraw/zinc/13/23/38/1189132338.db2.gz YZHPAQKUFAVAKI-UHFFFAOYSA-N 0 0 315.394 3.039 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cncnc1C1CC1 ZINC001558554887 1189132679 /nfs/dbraw/zinc/13/26/79/1189132679.db2.gz XTXNGOJGESXSST-UHFFFAOYSA-N 0 0 319.364 3.143 20 10 DGCDRN C[S@](=O)(=NC(=O)C1=CC(=O)CS1)c1cccc(Cl)c1 ZINC001558773874 1189147714 /nfs/dbraw/zinc/14/77/14/1189147714.db2.gz BENOOFGCUSXZCG-LJQANCHMSA-N 0 0 315.803 3.404 20 10 DGCDRN CSc1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)ccn1 ZINC001559017776 1189162742 /nfs/dbraw/zinc/16/27/42/1189162742.db2.gz XEPUIQKUYZNRHD-UHFFFAOYSA-N 0 0 315.358 3.218 20 10 DGCDRN COc1cccc(F)c1CNCc1cc(F)c(N(C)C)cc1F ZINC001560604255 1189347283 /nfs/dbraw/zinc/34/72/83/1189347283.db2.gz PTNGIRXCDYZVNW-UHFFFAOYSA-N 0 0 324.346 3.468 20 10 DGCDRN CCc1ccc([C@H](O)C[NH2+]Cc2ccc(Cl)cc2O)cc1 ZINC001560824529 1189389590 /nfs/dbraw/zinc/38/95/90/1189389590.db2.gz LYQYAKSXWVKWCQ-QGZVFWFLSA-N 0 0 305.805 3.431 20 10 DGCDRN CC[C@H]1CN(Cc2cc(F)c(N(C)C)cc2F)[C@@H](CC)CO1 ZINC001560919312 1189405610 /nfs/dbraw/zinc/40/56/10/1189405610.db2.gz AJVVBQQREWRBDE-KBPBESRZSA-N 0 0 312.404 3.420 20 10 DGCDRN [O-]c1c(F)cccc1C[NH2+]CCc1nsc2ccccc12 ZINC001560949212 1189409409 /nfs/dbraw/zinc/40/94/09/1189409409.db2.gz SVBIPZJNZSKFQB-UHFFFAOYSA-N 0 0 302.374 3.473 20 10 DGCDRN CC1(C)CC[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])OC1 ZINC001560987456 1189415694 /nfs/dbraw/zinc/41/56/94/1189415694.db2.gz MXYHCGKJCAEYCZ-LLVKDONJSA-N 0 0 301.789 3.480 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)OCc1ccc(Cl)cc1 ZINC001561670991 1189455263 /nfs/dbraw/zinc/45/52/63/1189455263.db2.gz XTWQQVBFEKVIOR-UHFFFAOYSA-N 0 0 307.733 3.178 20 10 DGCDRN COc1ccc(F)c(NC(=O)NCc2c(O)cccc2F)c1 ZINC001562479665 1189482852 /nfs/dbraw/zinc/48/28/52/1189482852.db2.gz SGXAEGCOOJKCKW-UHFFFAOYSA-N 0 0 308.284 3.001 20 10 DGCDRN Cc1scc(CNC(=O)NCc2ccc(N(C)C)cc2)c1C ZINC001563609436 1189522999 /nfs/dbraw/zinc/52/29/99/1189522999.db2.gz ALWVXDBEKRUSRQ-UHFFFAOYSA-N 0 0 317.458 3.430 20 10 DGCDRN CC[C@H]1CCC[C@H]1CNC(=O)NCc1ccc(N(C)C)cc1 ZINC001563610453 1189523004 /nfs/dbraw/zinc/52/30/04/1189523004.db2.gz SBGXAESGDVJKRC-HOTGVXAUSA-N 0 0 303.450 3.378 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CC[C@@H]2C2CCCC2)cc1F ZINC001563811206 1189536348 /nfs/dbraw/zinc/53/63/48/1189536348.db2.gz QSEXTVHIURIFCM-MRXNPFEDSA-N 0 0 319.424 3.366 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@]12C[C@H]1CCCC2 ZINC001564006904 1189545404 /nfs/dbraw/zinc/54/54/04/1189545404.db2.gz UTBCYPWHYNEGTB-CRAIPNDOSA-N 0 0 301.434 3.193 20 10 DGCDRN COc1ccc(CNC(=O)NC[C@H]2CCCC(C)(C)C2)c(O)c1 ZINC001564934398 1189608984 /nfs/dbraw/zinc/60/89/84/1189608984.db2.gz YDQRSSMXZYQYCO-ZDUSSCGKSA-N 0 0 320.433 3.416 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H]2C[C@H]2Cc2ccccc2)c1 ZINC001565473624 1189648714 /nfs/dbraw/zinc/64/87/14/1189648714.db2.gz LJXOFRLURLZDRP-SJORKVTESA-N 0 0 324.424 3.379 20 10 DGCDRN CCO[C@H]1C[C@@H](NC(=O)c2ccc(C)c(O)c2O)C1(CC)CC ZINC001566143195 1189747009 /nfs/dbraw/zinc/74/70/09/1189747009.db2.gz OWFJDDFCKKUODT-KGLIPLIRSA-N 0 0 321.417 3.120 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(O)c(CC)c1 ZINC001568737908 1190584310 /nfs/dbraw/zinc/58/43/10/1190584310.db2.gz SBNDDJSXNJTDSZ-UHFFFAOYSA-N 0 0 320.385 3.076 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Oc1cccc2c1OCCC2 ZINC001570692541 1190918259 /nfs/dbraw/zinc/91/82/59/1190918259.db2.gz AGLXEVJFWNLJCA-CLFYSBASSA-N 0 0 312.321 3.042 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccc(C(=O)C(C)C)cc2)c(O)c1O ZINC001570908833 1190974924 /nfs/dbraw/zinc/97/49/24/1190974924.db2.gz UGTUPFNUWFDVRQ-UHFFFAOYSA-N 0 0 313.353 3.497 20 10 DGCDRN COc1ccc(N(C)Cc2nnc(-c3ccccc3O)o2)cc1 ZINC001619791611 1193761886 /nfs/dbraw/zinc/76/18/86/1193761886.db2.gz GETBGDCSGUEXHQ-UHFFFAOYSA-N 0 0 311.341 3.087 20 10 DGCDRN CC(C)c1ccc(O)c(CNCc2ncn(-c3ccccc3)n2)c1 ZINC001621356965 1193832978 /nfs/dbraw/zinc/83/29/78/1193832978.db2.gz OIGRUILKNJXGBZ-UHFFFAOYSA-N 0 0 322.412 3.386 20 10 DGCDRN COc1ccc(O)c(CNc2ccc3c(c2)SCC(=O)N3)c1 ZINC001621489090 1193849874 /nfs/dbraw/zinc/84/98/74/1193849874.db2.gz UQXUXYFLRWKZHV-UHFFFAOYSA-N 0 0 316.382 3.057 20 10 DGCDRN CN(C)c1nccc2c1C[N@H+](Cc1cccc(Cl)c1[O-])CC2 ZINC001621568293 1193860066 /nfs/dbraw/zinc/86/00/66/1193860066.db2.gz JBJIHWPXRUBVRI-UHFFFAOYSA-N 0 0 317.820 3.065 20 10 DGCDRN O=C(CCOc1ccc(Cl)c(F)c1)NCc1ccccc1O ZINC001622772986 1193911321 /nfs/dbraw/zinc/91/13/21/1193911321.db2.gz QSYDYYPRNZHAKY-UHFFFAOYSA-N 0 0 323.751 3.270 20 10 DGCDRN CCc1nc(-c2ccccc2NC(=O)C2=CC(=O)CS2)n[nH]1 ZINC001623169775 1193921464 /nfs/dbraw/zinc/92/14/64/1193921464.db2.gz LKGSRPNYCYNNHI-UHFFFAOYSA-N 0 0 314.370 3.054 20 10 DGCDRN Cc1c(N)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1F ZINC001624479747 1193998872 /nfs/dbraw/zinc/99/88/72/1193998872.db2.gz MFQZWWIKOHPIQJ-UHFFFAOYSA-N 0 0 315.392 3.055 20 10 DGCDRN Cc1csc(CNC(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC001625016552 1194027059 /nfs/dbraw/zinc/02/70/59/1194027059.db2.gz KYXINOGMQIAUDI-UHFFFAOYSA-N 0 0 320.395 3.007 20 10 DGCDRN O=C(CC1CSC1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001625656714 1194062850 /nfs/dbraw/zinc/06/28/50/1194062850.db2.gz FKJVPBVYJPUAEE-UHFFFAOYSA-N 0 0 324.409 3.088 20 10 DGCDRN O=C(/C=C\c1cccc(O)c1)NCc1cc(Cl)ccc1O ZINC001628681581 1194191987 /nfs/dbraw/zinc/19/19/87/1194191987.db2.gz YJIGMKIYMUODOO-DAXSKMNVSA-N 0 0 303.745 3.081 20 10 DGCDRN CCc1[nH]ccc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001628954072 1194205646 /nfs/dbraw/zinc/20/56/46/1194205646.db2.gz ATAALYJJNUINHX-UHFFFAOYSA-N 0 0 311.429 3.450 20 10 DGCDRN CCCCO[C@@H]1C[C@@H](NC(=O)c2ccc(C)c(O)c2O)C1(C)C ZINC001629523461 1194239602 /nfs/dbraw/zinc/23/96/02/1194239602.db2.gz YIXHBJDCHGEUKT-ZIAGYGMSSA-N 0 0 321.417 3.120 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cc(Cl)ncc2Cl)c1 ZINC001629740689 1194250174 /nfs/dbraw/zinc/25/01/74/1194250174.db2.gz NBGASZSUMITRBJ-UHFFFAOYSA-N 0 0 311.168 3.332 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1cc2ccc(F)cc2s1 ZINC001630301941 1194279733 /nfs/dbraw/zinc/27/97/33/1194279733.db2.gz OJPYWAJIMWYAKK-UHFFFAOYSA-N 0 0 317.341 3.382 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N[C@@H]3CCCC3(C)C)ccc21 ZINC001630355224 1194282333 /nfs/dbraw/zinc/28/23/33/1194282333.db2.gz QQVZBYJAVBZVBU-QGZVFWFLSA-N 0 0 315.461 3.447 20 10 DGCDRN Cc1csc(NC(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC001630512123 1194289552 /nfs/dbraw/zinc/28/95/52/1194289552.db2.gz RHAGMTYKZLMMRZ-UHFFFAOYSA-N 0 0 306.368 3.330 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1C ZINC001630528738 1194290117 /nfs/dbraw/zinc/29/01/17/1194290117.db2.gz VNQJQHTZZZSIJY-UHFFFAOYSA-N 0 0 306.365 3.487 20 10 DGCDRN C[C@@H](C(=O)NCc1ccc2cccnc2c1O)c1cccs1 ZINC001630533187 1194290173 /nfs/dbraw/zinc/29/01/73/1194290173.db2.gz XNJVMLWZBKSQNE-LLVKDONJSA-N 0 0 312.394 3.422 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC=CO1 ZINC001630709665 1194298795 /nfs/dbraw/zinc/29/87/95/1194298795.db2.gz LWQKKWNFEFIZKR-KRWDZBQOSA-N 0 0 302.418 3.182 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cc(-c2ccccc2)nn1C ZINC001631151460 1194322277 /nfs/dbraw/zinc/32/22/77/1194322277.db2.gz PAHMIXWYPLVAGQ-UHFFFAOYSA-N 0 0 321.380 3.065 20 10 DGCDRN Cc1ccc2occ(CC(=O)NCc3ccc(O)c(O)c3)c2c1 ZINC001631434222 1194335116 /nfs/dbraw/zinc/33/51/16/1194335116.db2.gz MUBNWIZSGUDDIV-UHFFFAOYSA-N 0 0 311.337 3.011 20 10 DGCDRN O=C(CCCn1cccc1)NCc1c(O)ccc2c1CCCC2 ZINC001631438598 1194335247 /nfs/dbraw/zinc/33/52/47/1194335247.db2.gz HHUPMSAJVGNXLP-UHFFFAOYSA-N 0 0 312.413 3.169 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@H]1CC1(C)C ZINC001631482070 1194337200 /nfs/dbraw/zinc/33/72/00/1194337200.db2.gz RAVQNOAJNJPADA-GDBMZVCRSA-N 0 0 317.477 3.337 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCCC12CC2 ZINC001631506590 1194338273 /nfs/dbraw/zinc/33/82/73/1194338273.db2.gz YMRNZSLUUOBWAQ-INIZCTEOSA-N 0 0 301.434 3.193 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](C)[C@H](C)[C@H]1C ZINC001631505575 1194338660 /nfs/dbraw/zinc/33/86/60/1194338660.db2.gz GMVNCQOULUULPM-SOUVJXGZSA-N 0 0 303.450 3.247 20 10 DGCDRN O=C(Cc1c(F)cccc1F)NCc1cc(Cl)ccc1O ZINC001632223741 1194378022 /nfs/dbraw/zinc/37/80/22/1194378022.db2.gz OTCSVGBILKIIDD-UHFFFAOYSA-N 0 0 311.715 3.183 20 10 DGCDRN C[C@H](NC(=O)CCc1ccc(F)cc1F)c1ccccc1O ZINC001632250640 1194379368 /nfs/dbraw/zinc/37/93/68/1194379368.db2.gz ZSXQGPBDXRFTJW-NSHDSACASA-N 0 0 305.324 3.480 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC1(C)CCC1 ZINC001632556647 1194395672 /nfs/dbraw/zinc/39/56/72/1194395672.db2.gz BARPUGDCNPXZHT-OAHLLOKOSA-N 0 0 317.477 3.481 20 10 DGCDRN O=C(COc1ccc(F)cc1Cl)N1Cc2cccc(O)c2C1 ZINC001632703875 1194403044 /nfs/dbraw/zinc/40/30/44/1194403044.db2.gz RDEZUYJCXFPDAE-UHFFFAOYSA-N 0 0 321.735 3.106 20 10 DGCDRN CSc1cccc(F)c1C(=O)NCc1cc(C)ccc1O ZINC001633283297 1194430038 /nfs/dbraw/zinc/43/00/38/1194430038.db2.gz YDCFWHJTEILYDS-UHFFFAOYSA-N 0 0 305.374 3.492 20 10 DGCDRN CNc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)cc1F ZINC001633340577 1194432881 /nfs/dbraw/zinc/43/28/81/1194432881.db2.gz JSKOHAXZDXRESM-UHFFFAOYSA-N 0 0 315.392 3.172 20 10 DGCDRN CCc1ccc2c(c1)[C@@H](NC(=O)C1=CC(=O)CS1)CCO2 ZINC001633637878 1194447676 /nfs/dbraw/zinc/44/76/76/1194447676.db2.gz ARIOAXLFMOFXFS-ZDUSSCGKSA-N 0 0 303.383 3.270 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(CC)s1 ZINC001634940009 1194524332 /nfs/dbraw/zinc/52/43/32/1194524332.db2.gz WRAFUCQKDPPRLP-UHFFFAOYSA-N 0 0 310.415 3.432 20 10 DGCDRN COc1ccc(CNC(=O)c2ccccc2-n2cccc2)c(O)c1 ZINC001635042763 1194529417 /nfs/dbraw/zinc/52/94/17/1194529417.db2.gz RWWJXLXWYDFOFT-UHFFFAOYSA-N 0 0 322.364 3.122 20 10 DGCDRN CC(C)COc1ccccc1C(=O)NCc1c(O)cccc1F ZINC001635361174 1194546689 /nfs/dbraw/zinc/54/66/89/1194546689.db2.gz YSFSPRADKWHBCQ-UHFFFAOYSA-N 0 0 317.360 3.496 20 10 DGCDRN CC1(C)Cc2cc(C(=O)NCc3c(O)cccc3F)ccc2O1 ZINC001635366679 1194547296 /nfs/dbraw/zinc/54/72/96/1194547296.db2.gz HAWBMGGSHFNVJY-UHFFFAOYSA-N 0 0 315.344 3.175 20 10 DGCDRN C[C@@H](CC(=O)NCc1c(O)cccc1O)c1c[nH]c2ccccc21 ZINC001635847362 1194575685 /nfs/dbraw/zinc/57/56/85/1194575685.db2.gz MNSWVGXNPRBYPR-LBPRGKRZSA-N 0 0 324.380 3.389 20 10 DGCDRN COc1cc(Cl)c(F)cc1NC(=O)c1cccc(O)c1O ZINC001635910958 1194579043 /nfs/dbraw/zinc/57/90/43/1194579043.db2.gz NTQIYMQCLZWMQK-UHFFFAOYSA-N 0 0 311.696 3.151 20 10 DGCDRN O=C(NCc1cccc(O)c1O)c1cc2c(cccc2F)s1 ZINC001637034495 1194647216 /nfs/dbraw/zinc/64/72/16/1194647216.db2.gz JANJQEMZTMFIMH-UHFFFAOYSA-N 0 0 317.341 3.382 20 10 DGCDRN Cc1cccc(C(=O)NCc2cccc(Cl)c2O)c1[N+](=O)[O-] ZINC001637227157 1194657917 /nfs/dbraw/zinc/65/79/17/1194657917.db2.gz PQVHRZVVLPXQTB-UHFFFAOYSA-N 0 0 320.732 3.192 20 10 DGCDRN COCc1cccc(CC(=O)NCc2cccc(Cl)c2O)c1 ZINC001637226978 1194657974 /nfs/dbraw/zinc/65/79/74/1194657974.db2.gz HSGJMDQSAULLIP-UHFFFAOYSA-N 0 0 319.788 3.051 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1C[C@H]1c1ccccc1 ZINC001637226836 1194658244 /nfs/dbraw/zinc/65/82/44/1194658244.db2.gz BJYVHMROCCXQHG-UONOGXRCSA-N 0 0 301.773 3.466 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1ccc2c(c1)CCOC2 ZINC001637232731 1194658565 /nfs/dbraw/zinc/65/85/65/1194658565.db2.gz XANCGUCTQBFJHY-UHFFFAOYSA-N 0 0 317.772 3.048 20 10 DGCDRN C[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)C1(C)CC1 ZINC001638814098 1194738809 /nfs/dbraw/zinc/73/88/09/1194738809.db2.gz JOHXIPVKEAAOFI-LBPRGKRZSA-N 0 0 302.418 3.259 20 10 DGCDRN Cc1cccc(OCCCC(=O)NCc2c(O)cccc2F)c1 ZINC001638862864 1194741278 /nfs/dbraw/zinc/74/12/78/1194741278.db2.gz GHIQYMAFAUHMKW-UHFFFAOYSA-N 0 0 317.360 3.315 20 10 DGCDRN C[C@H](Cc1ccc(F)cc1)C(=O)NCc1c(O)cccc1F ZINC001638862837 1194741456 /nfs/dbraw/zinc/74/14/56/1194741456.db2.gz FCGYCSOEYNWVDS-LLVKDONJSA-N 0 0 305.324 3.165 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(N)cc1F ZINC001638957321 1194744502 /nfs/dbraw/zinc/74/45/02/1194744502.db2.gz NFBKCRRRMKIPNB-LBPRGKRZSA-N 0 0 315.392 3.273 20 10 DGCDRN CSc1cnc(N(C)Cc2ccc(N3CCCC3)cc2)nc1 ZINC001639226895 1194756281 /nfs/dbraw/zinc/75/62/81/1194756281.db2.gz JAHCOJFEQIHLBV-UHFFFAOYSA-N 0 0 314.458 3.435 20 10 DGCDRN Cc1oc2ccccc2c1CC(=O)NCc1c(O)cccc1O ZINC001639292794 1194759171 /nfs/dbraw/zinc/75/91/71/1194759171.db2.gz QYPNHMSNNHCVKP-UHFFFAOYSA-N 0 0 311.337 3.011 20 10 DGCDRN CCc1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1 ZINC001639621370 1194774087 /nfs/dbraw/zinc/77/40/87/1194774087.db2.gz BJOJLNHXYYYZBM-UHFFFAOYSA-N 0 0 306.365 3.433 20 10 DGCDRN CCC(C)(C)[C@@H](O)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001639735241 1194779485 /nfs/dbraw/zinc/77/94/85/1194779485.db2.gz WHCZTFPYGQRYGB-KRWDZBQOSA-N 0 0 318.461 3.090 20 10 DGCDRN Cc1cc(CC(=O)N2CCCC(=O)[C@@H]2C)c(C)n1-c1ccccc1 ZINC001639860703 1194785215 /nfs/dbraw/zinc/78/52/15/1194785215.db2.gz ICDZRWYDDRGKGX-INIZCTEOSA-N 0 0 324.424 3.217 20 10 DGCDRN C[C@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001640094256 1194796505 /nfs/dbraw/zinc/79/65/05/1194796505.db2.gz JQFYHQAIVZYDTM-MEDUHNTESA-N 0 0 322.368 3.307 20 10 DGCDRN Cc1cc(C)c(C(=O)NCc2cccc(Cl)c2O)cc1C=O ZINC001640405265 1194811492 /nfs/dbraw/zinc/81/14/92/1194811492.db2.gz OQUZKKYBHCLXPQ-UHFFFAOYSA-N 0 0 317.772 3.405 20 10 DGCDRN Cc1cnccc1/C=C/C(=O)NCc1cccc(Cl)c1O ZINC001640405267 1194811835 /nfs/dbraw/zinc/81/18/35/1194811835.db2.gz OSLMNWALJCDTHG-AATRIKPKSA-N 0 0 302.761 3.079 20 10 DGCDRN Cc1ccc(C(=O)N2CCC[C@@H](C3CCCC3)C2)c(O)c1O ZINC001640658623 1194824237 /nfs/dbraw/zinc/82/42/37/1194824237.db2.gz IOAREEJEYFRHCV-CQSZACIVSA-N 0 0 303.402 3.449 20 10 DGCDRN CC(=O)c1csc(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC001640920361 1194833022 /nfs/dbraw/zinc/83/30/22/1194833022.db2.gz PCARKHTUGJNSRE-UHFFFAOYSA-N 0 0 309.774 3.240 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H]1c1ccc(F)cc1 ZINC001641050221 1194837215 /nfs/dbraw/zinc/83/72/15/1194837215.db2.gz VPGZSMYTRKGXKY-GBVWOXPPSA-N 0 0 313.328 3.224 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccc(-n3cccn3)c(C)c2)c1 ZINC001641732462 1194868769 /nfs/dbraw/zinc/86/87/69/1194868769.db2.gz BVMNWNAYLKKOPK-UHFFFAOYSA-N 0 0 321.380 3.125 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2c(C)c3ccccc3oc2=O)c1 ZINC001641733157 1194868942 /nfs/dbraw/zinc/86/89/42/1194868942.db2.gz JWDOUQCSVFFCIJ-UHFFFAOYSA-N 0 0 323.348 3.045 20 10 DGCDRN Cc1cn2ccc(NC(=O)c3ccc(N=NC(N)=O)cc3)cc2n1 ZINC001642164083 1194891305 /nfs/dbraw/zinc/89/13/05/1194891305.db2.gz RYBNRHRFSNARFC-UHFFFAOYSA-N 0 0 322.328 3.057 20 10 DGCDRN Cc1cc(C(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)[nH]n1 ZINC001642455754 1194912374 /nfs/dbraw/zinc/91/23/74/1194912374.db2.gz VGAPYAQIWDXCQH-UHFFFAOYSA-N 0 0 322.412 3.364 20 10 DGCDRN O=C(c1cccc(O)c1O)N(CC1CC1)c1cccc(F)c1 ZINC001642776156 1194937985 /nfs/dbraw/zinc/93/79/85/1194937985.db2.gz MSMWUACINJJWFI-UHFFFAOYSA-N 0 0 301.317 3.294 20 10 DGCDRN Cc1cnc(NCc2ccc3cccnc3c2O)c([N+](=O)[O-])c1 ZINC001642823565 1194943513 /nfs/dbraw/zinc/94/35/13/1194943513.db2.gz KLKCTUHLEPUXBE-UHFFFAOYSA-N 0 0 310.313 3.164 20 10 DGCDRN CCn1cccc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001643398464 1195020626 /nfs/dbraw/zinc/02/06/26/1195020626.db2.gz RMPJSBHOEGPSAV-UHFFFAOYSA-N 0 0 311.429 3.428 20 10 DGCDRN CC1(C)C(c2cc(NC(=O)c3cccc(O)c3O)n[nH]2)C1(C)C ZINC001643743868 1195051249 /nfs/dbraw/zinc/05/12/49/1195051249.db2.gz ZLFDNUOHMWWUIC-UHFFFAOYSA-N 0 0 315.373 3.223 20 10 DGCDRN CSCc1cc(C(=O)NCc2cc(O)ccc2O)ccc1F ZINC001643881745 1195060550 /nfs/dbraw/zinc/06/05/50/1195060550.db2.gz CXVVXKGKJXZKCL-UHFFFAOYSA-N 0 0 321.373 3.030 20 10 DGCDRN O=C(c1cccc(OC(F)(F)F)c1)N1Cc2cccc(O)c2C1 ZINC001644088471 1195080392 /nfs/dbraw/zinc/08/03/92/1195080392.db2.gz WGLDEIICCCDHAR-UHFFFAOYSA-N 0 0 323.270 3.447 20 10 DGCDRN O=C(c1ccc(-c2csnn2)cc1)N1Cc2cccc(O)c2C1 ZINC001644088251 1195080454 /nfs/dbraw/zinc/08/04/54/1195080454.db2.gz LZDYTZCSJAFVFV-UHFFFAOYSA-N 0 0 323.377 3.067 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)c1ccc(F)c(C(F)F)c1 ZINC001644756487 1195131853 /nfs/dbraw/zinc/13/18/53/1195131853.db2.gz ABLXPBSRYCZXFP-UHFFFAOYSA-N 0 0 311.259 3.105 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC001644754026 1195132120 /nfs/dbraw/zinc/13/21/20/1195132120.db2.gz OIAUGLWDCTVLOT-PXNSSMCTSA-N 0 0 323.392 3.008 20 10 DGCDRN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)c(C)n1C1CC1 ZINC000061077616 1195173477 /nfs/dbraw/zinc/17/34/77/1195173477.db2.gz MKTGLVILZPNDCA-UHFFFAOYSA-N 0 0 311.429 3.436 20 10 DGCDRN CC(C)n1cc(C(=O)NCc2c(O)ccc3ccccc32)cn1 ZINC001645440625 1195183497 /nfs/dbraw/zinc/18/34/97/1195183497.db2.gz LLCIFJDZYCNCDS-UHFFFAOYSA-N 0 0 309.369 3.253 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)C1SCCCS1 ZINC001645443890 1195183994 /nfs/dbraw/zinc/18/39/94/1195183994.db2.gz YDNGVAGFGIEEIP-UHFFFAOYSA-N 0 0 319.451 3.358 20 10 DGCDRN CCC(=O)c1cc(C(=O)NCc2cc(C)ccc2O)ccc1F ZINC001645800367 1195201822 /nfs/dbraw/zinc/20/18/22/1195201822.db2.gz DCSNBHICGUFHKG-UHFFFAOYSA-N 0 0 315.344 3.362 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1ccc2scnc2c1 ZINC001646033773 1195211978 /nfs/dbraw/zinc/21/19/78/1195211978.db2.gz FEDYWXZCJKMZQP-UHFFFAOYSA-N 0 0 302.330 3.071 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1ccc(C(F)(F)F)cc1 ZINC001647268816 1195247464 /nfs/dbraw/zinc/24/74/64/1195247464.db2.gz DPRZKEPURIFQGL-UHFFFAOYSA-N 0 0 311.259 3.047 20 10 DGCDRN O=C(Cc1ccc2c(c1)CCC2)NCc1cccc(Cl)c1O ZINC001647827049 1195256271 /nfs/dbraw/zinc/25/62/71/1195256271.db2.gz UNXSMGLKYORMOJ-UHFFFAOYSA-N 0 0 315.800 3.393 20 10 DGCDRN CCc1ccc2c(c1)CCN2C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001648616444 1195314907 /nfs/dbraw/zinc/31/49/07/1195314907.db2.gz OTSFOJUMHCLZDP-YVMONPNESA-N 0 0 309.365 3.263 20 10 DGCDRN C[C@@H](CCNC(=O)c1c(F)ccc(O)c1O)c1ccccc1 ZINC001648745806 1195327936 /nfs/dbraw/zinc/32/79/36/1195327936.db2.gz VPYBXULCNNIYDY-NSHDSACASA-N 0 0 303.333 3.161 20 10 DGCDRN CN(C)c1ccc(CNc2ncnc(-c3ccccc3)n2)cc1 ZINC001649351821 1195332069 /nfs/dbraw/zinc/33/20/69/1195332069.db2.gz JIPMDHOTTZBRAN-UHFFFAOYSA-N 0 0 305.385 3.217 20 10 DGCDRN O=C(c1cnc(-c2ccccc2)nc1)N1Cc2cccc(O)c2C1 ZINC001650674875 1195370562 /nfs/dbraw/zinc/37/05/62/1195370562.db2.gz RFOPDNKCAOFQCR-UHFFFAOYSA-N 0 0 317.348 3.005 20 10 DGCDRN O=C(CC1CC(c2ccccc2)C1)NCc1cc(O)ccc1O ZINC001651225395 1195428575 /nfs/dbraw/zinc/42/85/75/1195428575.db2.gz HUTHSCKBUVBSOT-UHFFFAOYSA-N 0 0 311.381 3.298 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC001651225583 1195428825 /nfs/dbraw/zinc/42/88/25/1195428825.db2.gz PPVQQKKVALEJQA-MELADBBJSA-N 0 0 303.402 3.321 20 10 DGCDRN Oc1ccc(O)c(CNc2cnc3cc(Cl)ccc3n2)c1 ZINC001651380898 1195452560 /nfs/dbraw/zinc/45/25/60/1195452560.db2.gz OAULSRLHKSDWLL-UHFFFAOYSA-N 0 0 301.733 3.307 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNc1cccc2c1NC(=O)CO2 ZINC001651466850 1195466503 /nfs/dbraw/zinc/46/65/03/1195466503.db2.gz GWTCTNVAOLOTSG-UHFFFAOYSA-N 0 0 321.380 3.430 20 10 DGCDRN Cc1nc2sccn2c1C[N@@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001651841052 1195516051 /nfs/dbraw/zinc/51/60/51/1195516051.db2.gz BNKFKVMPRHQFPQ-UHFFFAOYSA-N 0 0 323.368 3.320 20 10 DGCDRN CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1[O-] ZINC001651844515 1195516231 /nfs/dbraw/zinc/51/62/31/1195516231.db2.gz AAVBKALCXGBTCK-OAHLLOKOSA-N 0 0 321.367 3.444 20 10 DGCDRN COC(=O)c1cncc(CSc2ncc(Cl)s2)c1 ZINC001652127012 1195551334 /nfs/dbraw/zinc/55/13/34/1195551334.db2.gz TWYVXFIVPHBKNP-UHFFFAOYSA-N 0 0 300.792 3.270 20 10 DGCDRN COc1cc(C)c(C[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)c(O)c1 ZINC001652279238 1195574138 /nfs/dbraw/zinc/57/41/38/1195574138.db2.gz XDKGDYDTIWQANB-LJQANCHMSA-N 0 0 315.413 3.149 20 10 DGCDRN CC[C@H](Oc1ccccc1F)C(=O)NCc1c(O)cccc1F ZINC001652295698 1195576683 /nfs/dbraw/zinc/57/66/83/1195576683.db2.gz PSBBVLSSSBSAMB-HNNXBMFYSA-N 0 0 321.323 3.144 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1c(F)ccc2ccncc21 ZINC001652298905 1195578147 /nfs/dbraw/zinc/57/81/47/1195578147.db2.gz SZYQFEUVFBHVBU-UHFFFAOYSA-N 0 0 314.291 3.149 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1c(F)cncc1F ZINC001652430117 1195597177 /nfs/dbraw/zinc/59/71/77/1195597177.db2.gz PBNVUQJZTOEYPA-SSDOTTSWSA-N 0 0 300.255 3.194 20 10 DGCDRN CC[C@H](Cc1cccc(C)c1)C(=O)NCc1c(O)cccc1O ZINC001652625522 1195627851 /nfs/dbraw/zinc/62/78/51/1195627851.db2.gz HBAFQPRUQFITLM-OAHLLOKOSA-N 0 0 313.397 3.291 20 10 DGCDRN CC(C)(CNC(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC001652903696 1195669927 /nfs/dbraw/zinc/66/99/27/1195669927.db2.gz ANOIVZFVWOVLFD-UHFFFAOYSA-N 0 0 305.399 3.479 20 10 DGCDRN COc1ccc(N(C)C[C@H](Cc2ccccc2)OC)c(OC)c1 ZINC001652957018 1195674964 /nfs/dbraw/zinc/67/49/64/1195674964.db2.gz DKHPPZWFUFSZFJ-KRWDZBQOSA-N 0 0 315.413 3.398 20 10 DGCDRN Oc1cccc2c1CN(Cc1cc(Cl)cc3c1OCC3)C2 ZINC001653000273 1195679098 /nfs/dbraw/zinc/67/90/98/1195679098.db2.gz NVMOZEIYCOFWID-UHFFFAOYSA-N 0 0 301.773 3.496 20 10 DGCDRN CCc1ccc(C(=O)NCc2cccc(Cl)c2O)c(O)c1 ZINC001653567355 1195735030 /nfs/dbraw/zinc/73/50/30/1195735030.db2.gz VZRUBWLRFXWFTG-UHFFFAOYSA-N 0 0 305.761 3.244 20 10 DGCDRN CCCOc1cccnc1C(=O)NCc1cccc(Cl)c1O ZINC001653567117 1195735309 /nfs/dbraw/zinc/73/53/09/1195735309.db2.gz LFLMKLDHMKAIFP-UHFFFAOYSA-N 0 0 320.776 3.159 20 10 DGCDRN COc1ccc(N(C)CC(=O)Nc2c(F)cccc2F)cc1 ZINC001654124470 1195777446 /nfs/dbraw/zinc/77/74/46/1195777446.db2.gz OLLAERXEPJVFTE-UHFFFAOYSA-N 0 0 306.312 3.048 20 10 DGCDRN CCOC(=O)c1cc(CN(C)c2ccc(OC(C)C)cc2)on1 ZINC001654139285 1195778339 /nfs/dbraw/zinc/77/83/39/1195778339.db2.gz HLRANDZUGGMIHG-UHFFFAOYSA-N 0 0 318.373 3.275 20 10 DGCDRN O=C(c1c(F)ccc(O)c1O)N1CCC[C@@H](C2CCCC2)C1 ZINC001654858825 1195847987 /nfs/dbraw/zinc/84/79/87/1195847987.db2.gz GZDNBIWAKXWVRH-GFCCVEGCSA-N 0 0 307.365 3.279 20 10 DGCDRN Oc1ccc(CCNc2nc(Cl)nc3ccccc32)cc1O ZINC001655216821 1195892442 /nfs/dbraw/zinc/89/24/42/1195892442.db2.gz FBQMUGBXDYCDDE-UHFFFAOYSA-N 0 0 315.760 3.349 20 10 DGCDRN CCOc1ccc(N(CCn2ccccc2=O)CC2CC2)cc1 ZINC001655333045 1195904648 /nfs/dbraw/zinc/90/46/48/1195904648.db2.gz GJQDRGWQVKYTQD-UHFFFAOYSA-N 0 0 312.413 3.164 20 10 DGCDRN Oc1ccc(O)c(CNc2nccc(Oc3ccccc3)n2)c1 ZINC001655814661 1195965911 /nfs/dbraw/zinc/96/59/11/1195965911.db2.gz CNGAAXUXCJUXRG-UHFFFAOYSA-N 0 0 309.325 3.292 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)N2CCCC[C@H]2C)cc1 ZINC001655892574 1195973781 /nfs/dbraw/zinc/97/37/81/1195973781.db2.gz CJVKPVJQWFYRSY-OAHLLOKOSA-N 0 0 319.449 3.058 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCOc1cccc(F)c1 ZINC001656142817 1196009243 /nfs/dbraw/zinc/00/92/43/1196009243.db2.gz BDMMFIRKJVIJJN-UHFFFAOYSA-N 0 0 313.731 3.492 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNc1cccc2c1CNC2=O ZINC001657324449 1196130709 /nfs/dbraw/zinc/13/07/09/1196130709.db2.gz RSUOHZUZVVKNHS-UHFFFAOYSA-N 0 0 305.381 3.342 20 10 DGCDRN Cc1ccc(NCc2ccc(N(C)C)c(F)c2)c(N(C)C)n1 ZINC001657707212 1196171450 /nfs/dbraw/zinc/17/14/50/1196171450.db2.gz CACBTIJJPYKWJD-UHFFFAOYSA-N 0 0 302.397 3.273 20 10 DGCDRN CN(C)c1ccc(/C=C/CNc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC001658080327 1196210615 /nfs/dbraw/zinc/21/06/15/1196210615.db2.gz MDWAXVJCGOVDMG-ONEGZZNKSA-N 0 0 308.385 3.460 20 10 DGCDRN Cn1cc(NCc2cc(F)cc(F)c2O)c(-c2ccco2)n1 ZINC001658312850 1196240764 /nfs/dbraw/zinc/24/07/64/1196240764.db2.gz WYQXHTQPFGGTFN-UHFFFAOYSA-N 0 0 305.284 3.276 20 10 DGCDRN COc1ccc2c(c1)CCN2Cc1c(OC)cc(F)cc1OC ZINC001658574087 1196275251 /nfs/dbraw/zinc/27/52/51/1196275251.db2.gz QKLUSRUTRFDJKF-UHFFFAOYSA-N 0 0 317.360 3.414 20 10 DGCDRN CC(C)COC1CN(Cc2ccc(Br)cc2O)C1 ZINC001658616069 1196280807 /nfs/dbraw/zinc/28/08/07/1196280807.db2.gz ZQWGGJBOCJCRMG-UHFFFAOYSA-N 0 0 314.223 3.012 20 10 DGCDRN Cc1nn(C)c2ncc(NCc3ccc(Cl)cc3O)cc12 ZINC001658788362 1196300526 /nfs/dbraw/zinc/30/05/26/1196300526.db2.gz QTKMELATIGYQPN-UHFFFAOYSA-N 0 0 302.765 3.248 20 10 DGCDRN CC(C)OC(=O)[C@@H]1CCCN1C/C=C\c1ccc(N(C)C)cc1 ZINC001658899748 1196317255 /nfs/dbraw/zinc/31/72/55/1196317255.db2.gz YIUFBCZSDYMFPW-YEODSOHDSA-N 0 0 316.445 3.182 20 10 DGCDRN CCc1cnc(CN(C)Cc2c(C)cc(OC)cc2O)s1 ZINC001658999403 1196331492 /nfs/dbraw/zinc/33/14/92/1196331492.db2.gz LVXOPGIAVHLJGU-UHFFFAOYSA-N 0 0 306.431 3.360 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@H]1CCO[C@H](c2ccncc2)C1 ZINC001659239274 1196362052 /nfs/dbraw/zinc/36/20/52/1196362052.db2.gz DDXCYCKMCOBLJA-GUYCJALGSA-N 0 0 320.339 3.075 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC001659250319 1196363527 /nfs/dbraw/zinc/36/35/27/1196363527.db2.gz PMFOBCKLWKVEIS-UHFFFAOYSA-N 0 0 318.245 3.374 20 10 DGCDRN Oc1cc(Cl)ccc1CN1CCCN(CC(F)(F)F)CC1 ZINC001659255041 1196364182 /nfs/dbraw/zinc/36/41/82/1196364182.db2.gz RJCLWHRYSONKKP-UHFFFAOYSA-N 0 0 322.758 3.116 20 10 DGCDRN COc1ccc(N(C)CCN(C)C/C(Cl)=C/Cl)cc1 ZINC001659280585 1196366423 /nfs/dbraw/zinc/36/64/23/1196366423.db2.gz GPYGYCDLHMTUOV-BENRWUELSA-N 0 0 303.233 3.382 20 10 DGCDRN COc1cc(C)c(C[NH2+]CCc2ncc(C)cc2C)c(O)c1 ZINC001659546177 1196394181 /nfs/dbraw/zinc/39/41/81/1196394181.db2.gz WGAZJAHTSKQMKT-UHFFFAOYSA-N 0 0 300.402 3.053 20 10 DGCDRN CCOC(=O)C[C@](C)([NH2+]Cc1ccc(F)c(F)c1[O-])C(C)C ZINC001659552245 1196394782 /nfs/dbraw/zinc/39/47/82/1196394782.db2.gz ZUFPRHDBDVEVQB-INIZCTEOSA-N 0 0 315.360 3.128 20 10 DGCDRN O=C(NCc1c(O)cccc1F)Nc1cccc(OCCF)c1 ZINC001659833384 1196419610 /nfs/dbraw/zinc/41/96/10/1196419610.db2.gz FICHPHHJFJFHFZ-UHFFFAOYSA-N 0 0 322.311 3.201 20 10 DGCDRN COc1ccc(NC(=O)NCc2cccc(Cl)c2O)c(C)n1 ZINC001659926995 1196429442 /nfs/dbraw/zinc/42/94/42/1196429442.db2.gz ISHUJGDPWWNGCY-UHFFFAOYSA-N 0 0 321.764 3.079 20 10 DGCDRN CC(C)c1ccc(O)c(CN2CCN(c3ccccc3)C(=O)C2)c1 ZINC001660517494 1196493438 /nfs/dbraw/zinc/49/34/38/1196493438.db2.gz WKKRHAFREJLFRT-UHFFFAOYSA-N 0 0 324.424 3.364 20 10 DGCDRN COC(=O)[C@H](NCc1cc(Cl)c(C)cc1O)c1ccccc1 ZINC001660827364 1196530784 /nfs/dbraw/zinc/53/07/84/1196530784.db2.gz HGUJBPCEBPXMMW-MRXNPFEDSA-N 0 0 319.788 3.358 20 10 DGCDRN CSc1cc(NC(=O)NCc2cc(C)ccc2O)ccn1 ZINC001663515322 1196891570 /nfs/dbraw/zinc/89/15/70/1196891570.db2.gz UKWSUONUDHVBFO-UHFFFAOYSA-N 0 0 303.387 3.139 20 10 DGCDRN C[N@H+](CCOc1ccccc1F)Cc1cc(F)cc(F)c1[O-] ZINC001664095392 1196970840 /nfs/dbraw/zinc/97/08/40/1196970840.db2.gz IBYNFARSMAEVHE-UHFFFAOYSA-N 0 0 311.303 3.320 20 10 DGCDRN CNC(=O)Oc1cccc(NCc2ccc(Cl)cc2O)c1 ZINC001664821329 1197062961 /nfs/dbraw/zinc/06/29/61/1197062961.db2.gz ORRJMZMJVSAKLT-UHFFFAOYSA-N 0 0 306.749 3.376 20 10 DGCDRN C[C@@H](NS(=O)(=O)CC12CCC(CC1)CC2)c1ccccc1O ZINC001664994836 1197085206 /nfs/dbraw/zinc/08/52/06/1197085206.db2.gz BDNOFIMASKJZLM-TUBUQKNSSA-N 0 0 323.458 3.343 20 10 DGCDRN C[C@@H](NS(=O)(=O)c1cccc2ccoc21)c1ccccc1O ZINC001664994884 1197085213 /nfs/dbraw/zinc/08/52/13/1197085213.db2.gz CABAALUSNCSEBV-LLVKDONJSA-N 0 0 317.366 3.178 20 10 DGCDRN COc1ccc(N(C)Cc2cc(F)cc(F)c2O)cc1OC ZINC001665102179 1197097367 /nfs/dbraw/zinc/09/73/67/1197097367.db2.gz NZHXTOZKUIMDCH-UHFFFAOYSA-N 0 0 309.312 3.324 20 10 DGCDRN OC[C@@H]1Cc2ccccc2N1Cc1cc(Cl)cc(F)c1O ZINC001665101382 1197098202 /nfs/dbraw/zinc/09/82/02/1197098202.db2.gz CTXSKZYVMZVNDG-ZDUSSCGKSA-N 0 0 307.752 3.108 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(F)c(F)cc1[O-])c1ccccc1[N+](=O)[O-] ZINC001665587279 1197154818 /nfs/dbraw/zinc/15/48/18/1197154818.db2.gz HFMMZHLGAVDGOW-SECBINFHSA-N 0 0 308.284 3.429 20 10 DGCDRN Cc1ccc(/C=C\S(=O)(=O)N2Cc3cccc(O)c3C2)cc1 ZINC001665671729 1197169047 /nfs/dbraw/zinc/16/90/47/1197169047.db2.gz RHKNDGGBQBLANL-KTKRTIGZSA-N 0 0 315.394 3.017 20 10 DGCDRN Cc1ccc(NCC[NH2+]Cc2cc(Cl)c(F)cc2[O-])nc1 ZINC001665723574 1197181617 /nfs/dbraw/zinc/18/16/17/1197181617.db2.gz ICTURLHFYLJVGP-UHFFFAOYSA-N 0 0 309.772 3.090 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CC[C@@H](C)C1 ZINC001673745655 1197689762 /nfs/dbraw/zinc/68/97/62/1197689762.db2.gz VPBGJFBUOPFBBV-UKPHBRMFSA-N 0 0 317.477 3.480 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2cncc(Cl)c2)cc1F ZINC001673947514 1197710512 /nfs/dbraw/zinc/71/05/12/1197710512.db2.gz HUWVEGHTLCVGHN-UHFFFAOYSA-N 0 0 322.771 3.262 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N3CCC(C)(F)CC3)ccc21 ZINC001676134504 1198233772 /nfs/dbraw/zinc/23/37/72/1198233772.db2.gz CSIGKNPWMLUXTR-UHFFFAOYSA-N 0 0 319.424 3.103 20 10 DGCDRN Cc1cc(C)cc(CNC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC001676526558 1198342671 /nfs/dbraw/zinc/34/26/71/1198342671.db2.gz BPLAWGAWBBBILC-UHFFFAOYSA-N 0 0 311.429 3.369 20 10 DGCDRN C[C@@H](NC(=O)NCc1cc(Cl)ccc1O)c1ccccn1 ZINC001676992305 1198459409 /nfs/dbraw/zinc/45/94/09/1198459409.db2.gz CRMITBSOEKUFGH-SNVBAGLBSA-N 0 0 305.765 3.001 20 10 DGCDRN CC[C@@H]1C[C@H]1CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001682510631 1199167619 /nfs/dbraw/zinc/16/76/19/1199167619.db2.gz YJLWGHTXWZACLI-SJORKVTESA-N 0 0 315.461 3.474 20 10 DGCDRN CC[C@H](C)CONC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001682865589 1199208280 /nfs/dbraw/zinc/20/82/80/1199208280.db2.gz BUHZDSIIUFYSGZ-DZGCQCFKSA-N 0 0 321.465 3.269 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC[C@H]2CCc3ccccc32)c1 ZINC001684461546 1199385750 /nfs/dbraw/zinc/38/57/50/1199385750.db2.gz HNMCMQWNCDDNHP-OAHLLOKOSA-N 0 0 310.397 3.230 20 10 DGCDRN C[C@@H](NC(=O)NCc1c(O)cccc1F)c1ccc(F)cc1 ZINC001684509033 1199389927 /nfs/dbraw/zinc/38/99/27/1199389927.db2.gz RYQDNXKUKPCJBK-SNVBAGLBSA-N 0 0 306.312 3.231 20 10 DGCDRN O=C(NC/C=C\Cl)N(Cc1ccco1)Cc1ccccc1O ZINC001684561337 1199394703 /nfs/dbraw/zinc/39/47/03/1199394703.db2.gz NHMTWKIFJKGFHJ-YWEYNIOJSA-N 0 0 320.776 3.450 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC001685607386 1199494583 /nfs/dbraw/zinc/49/45/83/1199494583.db2.gz GSWQYKXJBKYNKV-GFCCVEGCSA-N 0 0 302.349 3.400 20 10 DGCDRN CNC(=O)c1ccc(NCc2ccc(N3CCCC3)cc2)cc1 ZINC000319708403 1199840365 /nfs/dbraw/zinc/84/03/65/1199840365.db2.gz DNVVLTPSWWSAED-UHFFFAOYSA-N 0 0 309.413 3.259 20 10 DGCDRN CCCCN(C)c1nnc(C)n1Cc1ccc(N(C)C)c(F)c1 ZINC001695190758 1201122234 /nfs/dbraw/zinc/12/22/34/1201122234.db2.gz WNRMZZKPDVJMDH-UHFFFAOYSA-N 0 0 319.428 3.076 20 10 DGCDRN Cc1ccccc1-c1cc(NC(=O)Cc2ccc(N)cc2)n(C)n1 ZINC000162102157 1203107898 /nfs/dbraw/zinc/10/78/98/1203107898.db2.gz OFGMIUADIGJUKZ-UHFFFAOYSA-N 0 0 320.396 3.159 20 10 DGCDRN CSc1cccc(NC(=O)NCc2cc(C)ccc2O)n1 ZINC001669751385 1197475969 /nfs/dbraw/zinc/47/59/69/1197475969.db2.gz SMDUKLZFVWINRK-UHFFFAOYSA-N 0 0 303.387 3.139 20 10 DGCDRN CCc1cccc(C[N@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)c1O ZINC001593642161 953654519 /nfs/dbraw/zinc/65/45/19/953654519.db2.gz HKVUJTOGQIGHJL-QGZVFWFLSA-N 0 0 311.381 3.139 20 10 DGCDRN O=C([O-])[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)c2ccccc21 ZINC001594903413 954653339 /nfs/dbraw/zinc/65/33/39/954653339.db2.gz UJSDNGIRLJVTSE-QZTJIDSGSA-N 0 0 323.392 3.414 20 10 DGCDRN Cc1cc(C[NH2+]C2(C(=O)[O-])CCCC2)ccc1N1CCCCC1 ZINC001594304436 957953214 /nfs/dbraw/zinc/95/32/14/957953214.db2.gz MVTWGLSJGPOFGA-UHFFFAOYSA-N 0 0 316.445 3.472 20 10 DGCDRN Cc1cccc([C@@H]([NH2+]Cc2ccc(N(C)C)cc2C)C(=O)[O-])c1 ZINC001574394881 961201351 /nfs/dbraw/zinc/20/13/51/961201351.db2.gz HNTFKIUOTJFSOH-GOSISDBHSA-N 0 0 312.413 3.285 20 10 DGCDRN CCCOc1ccc(C[NH2+][C@H](CC(F)(F)F)C(=O)[O-])cc1C ZINC001334778313 961824669 /nfs/dbraw/zinc/82/46/69/961824669.db2.gz GLGGNATUARVQCY-GFCCVEGCSA-N 0 0 319.323 3.279 20 10 DGCDRN CC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001603609406 973875531 /nfs/dbraw/zinc/87/55/31/973875531.db2.gz JJDMAIABLHLDLR-MRXNPFEDSA-N 0 0 311.809 3.431 20 10 DGCDRN CC(C)c1[nH]c(C[NH2+]Cc2ccc3c(c2)CCO3)cc1C(=O)[O-] ZINC001591917755 976376460 /nfs/dbraw/zinc/37/64/60/976376460.db2.gz AXOYJNUMDRYIQS-UHFFFAOYSA-N 0 0 314.385 3.061 20 10 DGCDRN C[C@H](CC(C)(C)CC(=O)[O-])[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001592446529 978125357 /nfs/dbraw/zinc/12/53/57/978125357.db2.gz ZDYSCKMULCMKCS-GFCCVEGCSA-N 0 0 310.413 3.261 20 10 DGCDRN C[C@@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)Oc1ccccc1 ZINC001592704999 979166148 /nfs/dbraw/zinc/16/61/48/979166148.db2.gz BZNJGBPRIOZUCO-STQMWFEESA-N 0 0 315.369 3.209 20 10 DGCDRN CC[C@@](C)(C(=O)[O-])[N@@H+](Cc1ccc(N(C)C)cc1)CC1CC1 ZINC001594787424 981819240 /nfs/dbraw/zinc/81/92/40/981819240.db2.gz DFZJOMHKZPYYFO-SFHVURJKSA-N 0 0 304.434 3.218 20 10 DGCDRN CC[C@H](C)C[N@H+](C)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001594960617 982711088 /nfs/dbraw/zinc/71/10/88/982711088.db2.gz JQLZBALVLLVWNJ-NSHDSACASA-N 0 0 306.381 3.494 20 10 DGCDRN CC[C@H](C)[N@H+](CC(=O)[O-])Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001594979507 982770868 /nfs/dbraw/zinc/77/08/68/982770868.db2.gz UAXJVMHKJSMUHC-LBPRGKRZSA-N 0 0 323.433 3.383 20 10 DGCDRN CCN(CC)c1ccc(C[N@H+]([C@@H](C)C(=O)[O-])C2CCC2)cc1 ZINC001596289021 983708978 /nfs/dbraw/zinc/70/89/78/983708978.db2.gz BLMDDVCYCPYIBT-AWEZNQCLSA-N 0 0 304.434 3.360 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(C2(C(=O)[O-])CC2)cc1)c1ccccc1O ZINC001599841755 988849512 /nfs/dbraw/zinc/84/95/12/988849512.db2.gz IHSXRCJOADNEEY-CYBMUJFWSA-N 0 0 311.381 3.359 20 10 DGCDRN C[N@H+](Cc1ccccc1O)[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001598530812 992777943 /nfs/dbraw/zinc/77/79/43/992777943.db2.gz TYZSHGMBVCMZRB-OAHLLOKOSA-N 0 0 305.761 3.303 20 10 DGCDRN CC(C)[N@H+](Cc1ccoc1C(=O)[O-])Cc1ccc(N(C)C)cc1 ZINC001591596401 992821667 /nfs/dbraw/zinc/82/16/67/992821667.db2.gz AOVGLBFYYUNOBZ-UHFFFAOYSA-N 0 0 316.401 3.454 20 10 DGCDRN CN1CCCc2cc(C[NH2+]C3CCC(CC(=O)[O-])CC3)ccc21 ZINC001598603512 993603825 /nfs/dbraw/zinc/60/38/25/993603825.db2.gz KDXZXFOINLZINS-UHFFFAOYSA-N 0 0 316.445 3.192 20 10 DGCDRN C[C@@H]([NH2+][C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC001593196124 994153252 /nfs/dbraw/zinc/15/32/52/994153252.db2.gz UPSFOMBRINCKIB-SJKOYZFVSA-N 0 0 316.376 3.368 20 10 DGCDRN C[C@H]([NH2+]CC1Cc2ccccc2C1)c1cc(C(=O)[O-])ccc1O ZINC001593258220 994539881 /nfs/dbraw/zinc/53/98/81/994539881.db2.gz XURNFRJLNGUWPY-LBPRGKRZSA-N 0 0 311.381 3.156 20 10 DGCDRN C[C@@H]([NH2+]CC[C@H]1CCC2(CCC2)O1)c1cc(C(=O)[O-])ccc1O ZINC001593265847 994576121 /nfs/dbraw/zinc/57/61/21/994576121.db2.gz YIVYMZUOOYFPOY-TZMCWYRMSA-N 0 0 319.401 3.233 20 10 DGCDRN C[C@H]([NH2+]CC[C@@H]1CCC2(CCC2)O1)c1cc(C(=O)[O-])ccc1O ZINC001593265845 994576212 /nfs/dbraw/zinc/57/62/12/994576212.db2.gz YIVYMZUOOYFPOY-JSGCOSHPSA-N 0 0 319.401 3.233 20 10 DGCDRN C[C@H]([NH2+]CCN1[C@H](C)CCC[C@H]1C)c1cc(C(=O)[O-])ccc1O ZINC001593266445 994580321 /nfs/dbraw/zinc/58/03/21/994580321.db2.gz DPLGSKOCQOGONO-MCIONIFRSA-N 0 0 320.433 3.004 20 10 DGCDRN C[C@H]([NH2+]CCc1c[nH]c2ccccc12)c1cc(C(=O)[O-])ccc1O ZINC001593276198 994631784 /nfs/dbraw/zinc/63/17/84/994631784.db2.gz XYSVYPMSCQVHTP-LBPRGKRZSA-N 0 0 324.380 3.465 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)c1cc(C(=O)[O-])ccc1O ZINC001593298507 994715556 /nfs/dbraw/zinc/71/55/56/994715556.db2.gz KAKPYOIWTGSYMN-SECBINFHSA-N 0 0 307.296 3.219 20 10 DGCDRN COc1ccc(C[NH2+]Cc2ccc(C(=O)[O-])cc2F)cc1C ZINC001599572979 998395158 /nfs/dbraw/zinc/39/51/58/998395158.db2.gz OGMPREDWAXBJID-UHFFFAOYSA-N 0 0 303.333 3.131 20 10 DGCDRN C[C@H]1CCC[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C1 ZINC001594382808 999444462 /nfs/dbraw/zinc/44/44/62/999444462.db2.gz DMVLUXQIKYZJIX-NSHDSACASA-N 0 0 304.365 3.248 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC/C=C/Cl ZINC001638867714 1194741880 /nfs/dbraw/zinc/74/18/80/1194741880.db2.gz AEGJTUXIIGEHNP-RUDMXATFSA-N 0 0 307.825 3.181 20 10 DGCDRN [O-]c1cc(Br)cc(F)c1C[NH+]1CCC(CF)CC1 ZINC001233032220 1098208554 /nfs/dbraw/zinc/20/85/54/1098208554.db2.gz WKWHTDITHYGOMI-UHFFFAOYSA-N 0 0 320.177 3.475 20 10 DGCDRN CCO/C=C\C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC001169944301 1081681155 /nfs/dbraw/zinc/68/11/55/1081681155.db2.gz QWHLZGPNJROZFW-QBFSEMIESA-N 0 0 312.413 3.303 20 10 DGCDRN CC(C)(C)NC(=O)c1ccc(NCc2ccc(O)c(O)c2)cc1 ZINC001169993032 1081797115 /nfs/dbraw/zinc/79/71/15/1081797115.db2.gz MAEYDYOXBBGNGN-UHFFFAOYSA-N 0 0 314.385 3.238 20 10 DGCDRN Cc1nc(NCc2ccc(O)c(O)c2)nc(C)c1CC(C)C ZINC001169993123 1081798668 /nfs/dbraw/zinc/79/86/68/1081798668.db2.gz NRGDOGIPVJDXPY-UHFFFAOYSA-N 0 0 301.390 3.315 20 10 DGCDRN Oc1ccc(CNc2ccc(-c3c[nH]c(=S)[nH]3)cc2)cc1O ZINC001169993189 1081803572 /nfs/dbraw/zinc/80/35/72/1081803572.db2.gz PXLXTBKJWQVTPG-UHFFFAOYSA-N 0 0 313.382 3.389 20 10 DGCDRN CC(C)(C)OC(=O)c1cccnc1NCc1ccc(O)c(O)c1 ZINC001169995328 1081818237 /nfs/dbraw/zinc/81/82/37/1081818237.db2.gz ZDVIHYHKJINXQA-UHFFFAOYSA-N 0 0 316.357 3.060 20 10 DGCDRN Oc1ccc(CNc2ccc(OCc3ccncc3)nc2)cc1O ZINC001169996546 1081819514 /nfs/dbraw/zinc/81/95/14/1081819514.db2.gz BEPBBMAOYFZBRU-UHFFFAOYSA-N 0 0 323.352 3.079 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2oc(=O)c3ccccc3c2C)c1 ZINC001167294073 1081913888 /nfs/dbraw/zinc/91/38/88/1081913888.db2.gz XBDNVQQYSSATRP-UHFFFAOYSA-N 0 0 323.348 3.045 20 10 DGCDRN CC(C)Oc1ncc(Cl)cc1NC(=O)c1cccc(O)c1O ZINC001627416783 1082002016 /nfs/dbraw/zinc/00/20/16/1082002016.db2.gz BWFAYKVJSOARRO-UHFFFAOYSA-N 0 0 322.748 3.186 20 10 DGCDRN CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@H]1CCc2ccccc21 ZINC000588403645 1082147496 /nfs/dbraw/zinc/14/74/96/1082147496.db2.gz SWQHMXLBPLIHMO-UBAGTECSSA-N 0 0 309.365 3.257 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)Nc2cnoc2)c1 ZINC001143391503 1082157155 /nfs/dbraw/zinc/15/71/55/1082157155.db2.gz GZVZDCZDUWWCQN-UHFFFAOYSA-N 0 0 309.325 3.147 20 10 DGCDRN Cc1cnc(Cl)cc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001125534370 1082237203 /nfs/dbraw/zinc/23/72/03/1082237203.db2.gz HWOGXESYHSBCDQ-UHFFFAOYSA-N 0 0 321.783 3.179 20 10 DGCDRN Cc1csc2ccc(NCC(=O)c3ccc(O)c(O)c3)nc12 ZINC001170316838 1082345583 /nfs/dbraw/zinc/34/55/83/1082345583.db2.gz QQQMRNXVIYQACI-UHFFFAOYSA-N 0 0 314.366 3.311 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H](CO)Cc1ccccc1 ZINC001648916659 1082565039 /nfs/dbraw/zinc/56/50/39/1082565039.db2.gz DWRIBBKJPYNUOM-ZDUSSCGKSA-N 0 0 323.795 3.126 20 10 DGCDRN Cc1ccncc1/C=C\C(=O)N1CCOc2cc(F)c(F)cc21 ZINC001130407393 1082577124 /nfs/dbraw/zinc/57/71/24/1082577124.db2.gz DOQUWQYOPYFDER-IHWYPQMZSA-N 0 0 316.307 3.107 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)/C=C2/CC[C@@H](C)C2)cc1 ZINC001130745449 1082610895 /nfs/dbraw/zinc/61/08/95/1082610895.db2.gz WXSFWPKUNKTRNT-VZHUHSAUSA-N 0 0 316.445 3.336 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000690798851 1083166280 /nfs/dbraw/zinc/16/62/80/1083166280.db2.gz KQCRXBWVCODSCW-GXSJLCMTSA-N 0 0 302.201 3.167 20 10 DGCDRN COc1cc(C)c(CNc2ccc(OC3COC3)cc2)c(O)c1 ZINC001180925850 1083370374 /nfs/dbraw/zinc/37/03/74/1083370374.db2.gz BULJTCBTCYISNW-UHFFFAOYSA-N 0 0 315.369 3.099 20 10 DGCDRN O=C1CCN1c1cccc(NCc2cc(F)c(F)cc2O)c1 ZINC001181361091 1083453868 /nfs/dbraw/zinc/45/38/68/1083453868.db2.gz LKXKCCZPBCGHFO-UHFFFAOYSA-N 0 0 304.296 3.019 20 10 DGCDRN C/C=C/C[C@H](NCc1cc(Cl)c(C)cc1O)C(=O)OCC ZINC001181457991 1083470375 /nfs/dbraw/zinc/47/03/75/1083470375.db2.gz SNRLGQZPEZWUBW-YVZNUBBCSA-N 0 0 311.809 3.342 20 10 DGCDRN COc1cc(C)c(CN2CC(OC)(c3ccccc3)C2)c(O)c1 ZINC001181544242 1083488140 /nfs/dbraw/zinc/48/81/40/1083488140.db2.gz NRHKUSKMBDENIG-UHFFFAOYSA-N 0 0 313.397 3.067 20 10 DGCDRN CCN(CC(=O)OC(C)(C)C)Cc1ccc(N2CCCC2)cc1 ZINC001204321815 1083638369 /nfs/dbraw/zinc/63/83/69/1083638369.db2.gz KYWIAOZFNTXAPR-UHFFFAOYSA-N 0 0 318.461 3.450 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@@H]1C(F)(F)F ZINC001182323794 1083687475 /nfs/dbraw/zinc/68/74/75/1083687475.db2.gz NYEXWMKTFLMVIJ-KGLIPLIRSA-N 0 0 314.351 3.300 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)COCC1CC1 ZINC001182481492 1083739471 /nfs/dbraw/zinc/73/94/71/1083739471.db2.gz BICWXBXEWBIBGY-GOSISDBHSA-N 0 0 317.429 3.175 20 10 DGCDRN COc1ccc(N(C)C[C@H]2C[C@]2(C)Br)cc1OC ZINC001182604333 1083764645 /nfs/dbraw/zinc/76/46/45/1083764645.db2.gz GRVSYFIELNERLA-YGRLFVJLSA-N 0 0 314.223 3.314 20 10 DGCDRN COc1ccc(N(C)C[C@@H]2C[C@@]2(C)Br)cc1OC ZINC001182604328 1083765552 /nfs/dbraw/zinc/76/55/52/1083765552.db2.gz GRVSYFIELNERLA-IINYFYTJSA-N 0 0 314.223 3.314 20 10 DGCDRN CN(Cc1ccc(Br)cc1O)c1cccc(O)c1 ZINC001182883485 1083830247 /nfs/dbraw/zinc/83/02/47/1083830247.db2.gz ZAWDOFANZRLVOX-UHFFFAOYSA-N 0 0 308.175 3.497 20 10 DGCDRN O=C([C@H]1CC12CCC(F)(F)CC2)N1CCc2cccc(O)c2C1 ZINC001183572098 1083975080 /nfs/dbraw/zinc/97/50/80/1083975080.db2.gz ICOIUTRHOYAYJP-CQSZACIVSA-N 0 0 321.367 3.493 20 10 DGCDRN CC[S@](C)(=O)=NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001626290171 1084064483 /nfs/dbraw/zinc/06/44/83/1084064483.db2.gz VQVHURFGRPLVIG-QFIPXVFZSA-N 0 0 318.442 3.281 20 10 DGCDRN CC[C@H](Nc1ccccc1)C(=O)NCc1c(O)cccc1F ZINC001184348700 1084165838 /nfs/dbraw/zinc/16/58/38/1084165838.db2.gz RCPZAKVKJZWOKG-HNNXBMFYSA-N 0 0 302.349 3.038 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@]1(C)CCOC1 ZINC001184418690 1084179388 /nfs/dbraw/zinc/17/93/88/1084179388.db2.gz MRSXALXXLYWDEY-VQIMIIECSA-N 0 0 317.429 3.175 20 10 DGCDRN Cc1ccc(-c2noc([C@@H](O)c3ccc(N(C)C)cc3)n2)cc1 ZINC001211701170 1084224122 /nfs/dbraw/zinc/22/41/22/1084224122.db2.gz MGWXOCUUANULCX-INIZCTEOSA-N 0 0 309.369 3.193 20 10 DGCDRN Cc1cccc(-c2noc([C@@H](O)c3ccc(N(C)C)cc3)n2)c1 ZINC001211703761 1084283254 /nfs/dbraw/zinc/28/32/54/1084283254.db2.gz GPCIBJYFLUTHRF-INIZCTEOSA-N 0 0 309.369 3.193 20 10 DGCDRN CCc1ccc(-c2noc([C@@H](O)c3ccc(N(C)C)cc3)n2)cc1 ZINC001211704288 1084285124 /nfs/dbraw/zinc/28/51/24/1084285124.db2.gz SBEVDBXCDUSYPS-KRWDZBQOSA-N 0 0 323.396 3.447 20 10 DGCDRN Cc1ccccc1-c1noc([C@H](O)c2ccc(N(C)C)cc2)n1 ZINC001211704340 1084285965 /nfs/dbraw/zinc/28/59/65/1084285965.db2.gz UBBYIDQELBLMOP-MRXNPFEDSA-N 0 0 309.369 3.193 20 10 DGCDRN CN(C)c1ccc(CN(Cc2ccco2)c2cnccn2)cc1 ZINC001185693472 1084503779 /nfs/dbraw/zinc/50/37/79/1084503779.db2.gz OFUBVTKNNUPWBZ-UHFFFAOYSA-N 0 0 308.385 3.342 20 10 DGCDRN COc1ccc(CNc2cc(-c3ccccc3)ncn2)c(O)c1 ZINC001186249087 1084617626 /nfs/dbraw/zinc/61/76/26/1084617626.db2.gz UQHXBDRVTHCDCC-UHFFFAOYSA-N 0 0 307.353 3.470 20 10 DGCDRN Oc1ccc(Br)cc1CN1CCCC[C@@H](F)C1 ZINC001203635917 1084630850 /nfs/dbraw/zinc/63/08/50/1084630850.db2.gz LEDMSPYGZHSIGD-GFCCVEGCSA-N 0 0 302.187 3.479 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(O)c(C(=O)NCc2cccn2C)c1 ZINC001186850896 1084707679 /nfs/dbraw/zinc/70/76/79/1084707679.db2.gz ZNBWFFLQEQNHPG-UHFFFAOYSA-N 0 0 323.396 3.068 20 10 DGCDRN CSc1nc2ncnc(N3Cc4cccc(O)c4C3)c2s1 ZINC001187406107 1084797062 /nfs/dbraw/zinc/79/70/62/1084797062.db2.gz TZONACPHGUMWAK-UHFFFAOYSA-N 0 0 316.411 3.034 20 10 DGCDRN C/C(=C/c1cccnc1)C(=O)N1C[C@@H](C)Oc2c(F)cccc21 ZINC001269475777 1085409771 /nfs/dbraw/zinc/40/97/71/1085409771.db2.gz XHAZAYXQUHQGLU-KIWPFMIBSA-N 0 0 312.344 3.438 20 10 DGCDRN Cc1cc(C(=O)Nc2c3nonc3ccc2Cl)cc(C)n1 ZINC001271357070 1086586422 /nfs/dbraw/zinc/58/64/22/1086586422.db2.gz SWLITFPVMJMYHC-UHFFFAOYSA-N 0 0 302.721 3.140 20 10 DGCDRN Cc1ncccc1/C=C/C(=O)N1CCN(C)c2ccc(F)cc21 ZINC001126642999 1086993023 /nfs/dbraw/zinc/99/30/23/1086993023.db2.gz ODTOOYXAKUKNGL-VMPITWQZSA-N 0 0 311.360 3.025 20 10 DGCDRN C/C(=C/c1cccc(Cl)c1)C(=O)NCc1ccc(O)cc1O ZINC001626837746 1087270229 /nfs/dbraw/zinc/27/02/29/1087270229.db2.gz DUNXOZJMDOYDLC-XFFZJAGNSA-N 0 0 317.772 3.471 20 10 DGCDRN Cc1cccc(O[C@@H]2CC[N@H+](Cc3cc(F)c(F)cc3[O-])C2)n1 ZINC001142530414 1087278628 /nfs/dbraw/zinc/27/86/28/1087278628.db2.gz HDIWNJRMNZMXER-CYBMUJFWSA-N 0 0 320.339 3.027 20 10 DGCDRN CCOc1ccc(N2CC[NH+](C[C@H]3CCC(C)(C)O3)CC2)cc1 ZINC001168331954 1087298017 /nfs/dbraw/zinc/29/80/17/1087298017.db2.gz SZJAWNYVKIBQBR-GOSISDBHSA-N 0 0 318.461 3.165 20 10 DGCDRN CN(CCC(=O)c1cccs1)Cc1c(O)ccc(F)c1F ZINC001233335541 1087658359 /nfs/dbraw/zinc/65/83/59/1087658359.db2.gz ADHDRLXVMVGJKJ-UHFFFAOYSA-N 0 0 311.353 3.437 20 10 DGCDRN C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1O ZINC001151899527 1087813214 /nfs/dbraw/zinc/81/32/14/1087813214.db2.gz DMWZQRBWHIOBQU-JTQLQIEISA-N 0 0 312.329 3.046 20 10 DGCDRN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1Cc2cccc(O)c2C1 ZINC001152574302 1088006236 /nfs/dbraw/zinc/00/62/36/1088006236.db2.gz SVVDHZLPPPJLFE-UHFFFAOYSA-N 0 0 318.716 3.110 20 10 DGCDRN O=[N+]([O-])c1ccc2ccnc(NCc3ccc(O)c(O)c3)c2c1 ZINC001158997523 1088125058 /nfs/dbraw/zinc/12/50/58/1088125058.db2.gz KOVRCXKUUMNBRU-UHFFFAOYSA-N 0 0 311.297 3.166 20 10 DGCDRN Cc1cc(Cl)ncc1C(F)(F)NCc1ccc(O)c(O)c1 ZINC001158995481 1088125323 /nfs/dbraw/zinc/12/53/23/1088125323.db2.gz GGYFUCBZIYVGKG-UHFFFAOYSA-N 0 0 314.719 3.294 20 10 DGCDRN Oc1ccc(CNC(F)(F)c2cc(Cl)ncc2F)cc1O ZINC001158995350 1088125527 /nfs/dbraw/zinc/12/55/27/1088125527.db2.gz DXCSINPKZYZPPL-UHFFFAOYSA-N 0 0 318.682 3.124 20 10 DGCDRN COCc1ccc(C(=O)NCc2cccc(Cl)c2O)cc1 ZINC001159033477 1088152825 /nfs/dbraw/zinc/15/28/25/1088152825.db2.gz JFCHJAQKGNAITJ-UHFFFAOYSA-N 0 0 305.761 3.122 20 10 DGCDRN Cc1nc(Cl)ccc1C(=O)NCc1cccc(Cl)c1O ZINC001159033159 1088153465 /nfs/dbraw/zinc/15/34/65/1088153465.db2.gz CJBLPRGPOVXTQJ-UHFFFAOYSA-N 0 0 311.168 3.332 20 10 DGCDRN C[C@H]1CCc2c(sc(Nc3ccc(N)cc3)c2C(N)=O)C1 ZINC001159147842 1088205853 /nfs/dbraw/zinc/20/58/53/1088205853.db2.gz VQHHOBLJCURABI-VIFPVBQESA-N 0 0 301.415 3.298 20 10 DGCDRN Cc1ccc2nc(NCC(=O)c3ccc(O)c(O)c3)ccc2c1 ZINC001159273473 1088266066 /nfs/dbraw/zinc/26/60/66/1088266066.db2.gz WWTXYIRMHSLRLH-UHFFFAOYSA-N 0 0 308.337 3.249 20 10 DGCDRN O=C(CNc1ncc(F)c2ccccc21)c1ccc(O)c(O)c1 ZINC001159278738 1088268972 /nfs/dbraw/zinc/26/89/72/1088268972.db2.gz AHHATMZJCWIEDF-UHFFFAOYSA-N 0 0 312.300 3.080 20 10 DGCDRN C[C@@H](SCc1ccccc1)C(=O)NCc1cccc(O)c1O ZINC001153791395 1088362689 /nfs/dbraw/zinc/36/26/89/1088362689.db2.gz BNPWVIVGJGIRAV-GFCCVEGCSA-N 0 0 317.410 3.036 20 10 DGCDRN CCc1ccc2c(c1)CN(C(=O)c1ccc(C)c(O)c1O)CC2 ZINC001649018782 1088409097 /nfs/dbraw/zinc/40/90/97/1088409097.db2.gz VUABZMLIGBFCDM-UHFFFAOYSA-N 0 0 311.381 3.167 20 10 DGCDRN Cc1nccnc1NCc1cc(Cl)c2cccnc2c1O ZINC001168522723 1088531763 /nfs/dbraw/zinc/53/17/63/1088531763.db2.gz IOANGHVHIDTBPR-UHFFFAOYSA-N 0 0 300.749 3.304 20 10 DGCDRN Oc1ccc(Br)cc1CNc1ncnc2cc[nH]c21 ZINC001160012533 1088602718 /nfs/dbraw/zinc/60/27/18/1088602718.db2.gz PETQEXQPJZFFFR-UHFFFAOYSA-N 0 0 319.162 3.038 20 10 DGCDRN COc1cc(C)cnc1NCc1cc(Br)ccc1O ZINC001160019246 1088604918 /nfs/dbraw/zinc/60/49/18/1088604918.db2.gz DKXUNXBDUWENRK-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN Oc1ccc(Br)cc1CNc1ccc(C2CC2)nn1 ZINC001160019225 1088604731 /nfs/dbraw/zinc/60/47/31/1088604731.db2.gz CRCCVFHZVKVXPS-UHFFFAOYSA-N 0 0 320.190 3.434 20 10 DGCDRN COc1cc(C(=O)NCc2c(C)cc(C)cc2O)cc2[nH]ccc21 ZINC001154831163 1088780164 /nfs/dbraw/zinc/78/01/64/1088780164.db2.gz ZUPXWXDSBOYNQZ-UHFFFAOYSA-N 0 0 324.380 3.429 20 10 DGCDRN O=C(c1ccc2cc[nH]c2c1F)N1CCc2cccc(O)c2C1 ZINC001154944823 1088842076 /nfs/dbraw/zinc/84/20/76/1088842076.db2.gz BGHHLYBNZLRWKP-UHFFFAOYSA-N 0 0 310.328 3.211 20 10 DGCDRN N=c1ccc(N=Nc2ccccc2)c(N)n1-c1cc[nH]c(=O)c1 ZINC001212266980 1088899664 /nfs/dbraw/zinc/89/96/64/1088899664.db2.gz CUWPOHHICXPQEW-ZDHCPWPQSA-N 0 0 306.329 3.055 20 10 DGCDRN COC(=O)c1cc(Cl)c(NCc2cccc(C)c2O)nc1C ZINC001160771225 1088950983 /nfs/dbraw/zinc/95/09/83/1088950983.db2.gz OPSGFMQLNQYUAH-UHFFFAOYSA-N 0 0 320.776 3.456 20 10 DGCDRN Cc1cccc(CNc2nc(Cl)nc3c2ccn3C)c1O ZINC001160769385 1088951473 /nfs/dbraw/zinc/95/14/73/1088951473.db2.gz MGUKUMOPNAGCCU-UHFFFAOYSA-N 0 0 302.765 3.248 20 10 DGCDRN Cc1cccc(CNc2ncnc3cc([N+](=O)[O-])ccc32)c1O ZINC001160769774 1088951673 /nfs/dbraw/zinc/95/16/73/1088951673.db2.gz UQOIUPZXAPZYGA-UHFFFAOYSA-N 0 0 310.313 3.164 20 10 DGCDRN COCc1cc(NCc2c(C)cc(C)cc2O)nc(SC)n1 ZINC001160810894 1088974214 /nfs/dbraw/zinc/97/42/14/1088974214.db2.gz VQQHPCRGYQZGPM-UHFFFAOYSA-N 0 0 319.430 3.279 20 10 DGCDRN Cc1cc(C)c(CNc2ccc3[nH]cc([N+](=O)[O-])c3n2)c(O)c1 ZINC001160809956 1088974446 /nfs/dbraw/zinc/97/44/46/1088974446.db2.gz GHNPWCRTIVQEAX-UHFFFAOYSA-N 0 0 312.329 3.406 20 10 DGCDRN Nc1ccc(CC(=O)N2CCC3(C=Cc4ccccc43)CC2)cc1 ZINC000138601494 1089080332 /nfs/dbraw/zinc/08/03/32/1089080332.db2.gz CMIZWXNEEOKEOY-UHFFFAOYSA-N 0 0 318.420 3.399 20 10 DGCDRN C[C@H]1CCC[C@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001155458416 1089120226 /nfs/dbraw/zinc/12/02/26/1089120226.db2.gz PEMPLZFJMXCNOZ-UWVGGRQHSA-N 0 0 305.399 3.479 20 10 DGCDRN O=C(c1ccccc1-c1cn[nH]c1)N1CCc2cc(F)ccc21 ZINC001155704665 1089219666 /nfs/dbraw/zinc/21/96/66/1089219666.db2.gz NFQRKOXMGCBXNW-UHFFFAOYSA-N 0 0 307.328 3.419 20 10 DGCDRN CC1(C)Cc2c(cccc2C(=O)N2CCc3cccc(O)c3C2)O1 ZINC001155747643 1089234976 /nfs/dbraw/zinc/23/49/76/1089234976.db2.gz XWDVTSHQFVRWAQ-UHFFFAOYSA-N 0 0 323.392 3.304 20 10 DGCDRN Oc1cc2c(cc1O)CN(c1ncnc3ccsc31)CCC2 ZINC001155933127 1089303017 /nfs/dbraw/zinc/30/30/17/1089303017.db2.gz MCXYCKACAFAQGU-UHFFFAOYSA-N 0 0 313.382 3.055 20 10 DGCDRN Cc1ccc(Cl)nc1N1CCCc2cc(O)c(O)cc2C1 ZINC001155933544 1089303548 /nfs/dbraw/zinc/30/35/48/1089303548.db2.gz XEQXGXNVBARASD-UHFFFAOYSA-N 0 0 304.777 3.407 20 10 DGCDRN CSc1cccnc1N1CCCc2cc(O)c(O)cc2C1 ZINC001155941109 1089305733 /nfs/dbraw/zinc/30/57/33/1089305733.db2.gz FZLSUKFHDSMGOH-UHFFFAOYSA-N 0 0 302.399 3.168 20 10 DGCDRN CCCOc1cccc(C(=O)NCc2c(O)cccc2F)c1 ZINC001156170288 1089416432 /nfs/dbraw/zinc/41/64/32/1089416432.db2.gz KAPFYEFMEXQVCF-UHFFFAOYSA-N 0 0 303.333 3.250 20 10 DGCDRN CC[C@H](Cc1ccccc1)C(=O)NCc1c(O)cccc1F ZINC001156170474 1089416523 /nfs/dbraw/zinc/41/65/23/1089416523.db2.gz NUTZXQVIZIIMEC-CQSZACIVSA-N 0 0 301.361 3.416 20 10 DGCDRN CCCC(=O)NCCC1=CCN(c2ncnc3ccccc32)CC1 ZINC001089804282 1089524756 /nfs/dbraw/zinc/52/47/56/1089524756.db2.gz BUOFYWQFSCEPJR-UHFFFAOYSA-N 0 0 324.428 3.073 20 10 DGCDRN CCOc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c(F)c1 ZINC001162211809 1089608325 /nfs/dbraw/zinc/60/83/25/1089608325.db2.gz HGMFMEABNABJJR-XBXARRHUSA-N 0 0 317.316 3.288 20 10 DGCDRN Cc1ccc(C)c(SCC(=O)NCc2ccc(O)cc2O)c1 ZINC001162271642 1089651289 /nfs/dbraw/zinc/65/12/89/1089651289.db2.gz MCHOWMXVSZKTIH-UHFFFAOYSA-N 0 0 317.410 3.123 20 10 DGCDRN CCc1cc(Cl)nc(N(C)Cc2ccc(N(C)C)cc2)n1 ZINC001156926749 1089747525 /nfs/dbraw/zinc/74/75/25/1089747525.db2.gz BPFBBCZHKYIQAJ-UHFFFAOYSA-N 0 0 304.825 3.395 20 10 DGCDRN COc1cccc(Oc2cncc(NCc3ccc(N)cc3)n2)c1 ZINC001162785615 1089955211 /nfs/dbraw/zinc/95/52/11/1089955211.db2.gz KJTWIGWEIDIIRZ-UHFFFAOYSA-N 0 0 322.368 3.472 20 10 DGCDRN COc1cccc2nc(Cl)nc(NCc3ccc(N)cc3)c21 ZINC001162785361 1089955258 /nfs/dbraw/zinc/95/52/58/1089955258.db2.gz BEQLQFKGGMMGJE-UHFFFAOYSA-N 0 0 314.776 3.486 20 10 DGCDRN CCC(C)(C)C(=O)NCCC1=CCN(c2cccc(F)n2)CC1 ZINC001089860709 1090304365 /nfs/dbraw/zinc/30/43/65/1090304365.db2.gz KEHFOTHAGGIBTL-UHFFFAOYSA-N 0 0 319.424 3.300 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)CC(C)=C(C)C)cc1 ZINC001164597677 1090445603 /nfs/dbraw/zinc/44/56/03/1090445603.db2.gz RXGDEMRYYTZAKZ-UHFFFAOYSA-N 0 0 304.434 3.336 20 10 DGCDRN c1snnc1-c1nc(-c2cccc(-c3ccncc3)c2)no1 ZINC001212364236 1090578076 /nfs/dbraw/zinc/57/80/76/1090578076.db2.gz KIUPSPHKLWZGTF-UHFFFAOYSA-N 0 0 307.338 3.317 20 10 DGCDRN COc1ccc2cccc(-c3noc(-c4csnn4)n3)c2c1 ZINC001212364540 1090579165 /nfs/dbraw/zinc/57/91/65/1090579165.db2.gz SKFSAXBQQZIANU-UHFFFAOYSA-N 0 0 310.338 3.417 20 10 DGCDRN COc1c(C)cc(-c2noc(-c3nnsc3C)n2)cc1C ZINC001212405259 1090626368 /nfs/dbraw/zinc/62/63/68/1090626368.db2.gz KNDUXMSDJYEPHS-UHFFFAOYSA-N 0 0 302.359 3.189 20 10 DGCDRN CCc1cnc(N2CCc3c(c4cc(OC)ccc4n3C)C2)nc1 ZINC001166819317 1090662637 /nfs/dbraw/zinc/66/26/37/1090662637.db2.gz XPDMGAFLKAPTCK-UHFFFAOYSA-N 0 0 322.412 3.102 20 10 DGCDRN CNc1ccc(-n2c(=N)ccc(/N=N/c3ccccc3)c2N)cn1 ZINC001203448636 1090737554 /nfs/dbraw/zinc/73/75/54/1090737554.db2.gz CPEKSLZMAAWDMT-STMMAZFDSA-N 0 0 319.372 3.391 20 10 DGCDRN CNc1ccc(Nc2ccccc2C(=O)c2ccncc2)cn1 ZINC001203462304 1090738393 /nfs/dbraw/zinc/73/83/93/1090738393.db2.gz PKENVYLVORIGJE-UHFFFAOYSA-N 0 0 304.353 3.493 20 10 DGCDRN Oc1ccccc1CN1CCn2cc(-c3ccccc3)nc2C1 ZINC001203561331 1090757064 /nfs/dbraw/zinc/75/70/64/1090757064.db2.gz QPEDDHVCPOPTKV-UHFFFAOYSA-N 0 0 305.381 3.272 20 10 DGCDRN Oc1ccc(Cl)cc1CN1CCOC[C@@H]1c1cccnc1 ZINC001203664402 1090775208 /nfs/dbraw/zinc/77/52/08/1090775208.db2.gz CXSLPBSDBXBOFF-OAHLLOKOSA-N 0 0 304.777 3.014 20 10 DGCDRN Oc1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1O ZINC001203879063 1090826516 /nfs/dbraw/zinc/82/65/16/1090826516.db2.gz ZQGYUMQWLNMXQM-UHFFFAOYSA-N 0 0 318.804 3.073 20 10 DGCDRN CCN(CC)c1ccc(Cn2c3cc(C)nn3c(=O)cc2C)cc1 ZINC001203940029 1090843728 /nfs/dbraw/zinc/84/37/28/1090843728.db2.gz ZXBNTMXHDIPNEH-UHFFFAOYSA-N 0 0 324.428 3.007 20 10 DGCDRN CN(C)c1ccc(CN2CCOCC(F)(F)C2)c2ccccc21 ZINC001204233727 1090930016 /nfs/dbraw/zinc/93/00/16/1090930016.db2.gz USSHRPCJPYFHOR-UHFFFAOYSA-N 0 0 320.383 3.373 20 10 DGCDRN CN(C)c1ccc(CN2CCn3cncc3C2)c2ccccc21 ZINC001204240539 1090933174 /nfs/dbraw/zinc/93/31/74/1090933174.db2.gz XJUNQNVKHRIWEG-UHFFFAOYSA-N 0 0 306.413 3.118 20 10 DGCDRN COc1ccc(C[C@@H]2CC[N@@H+]2Cc2cc(F)c(F)cc2[O-])cc1 ZINC001204640596 1091010704 /nfs/dbraw/zinc/01/07/04/1091010704.db2.gz OWMFJRYPRFAVDZ-AWEZNQCLSA-N 0 0 319.351 3.496 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(C=O)s2)cc1 ZINC001626085069 1091017600 /nfs/dbraw/zinc/01/76/00/1091017600.db2.gz BFCMVJSDVCZHHD-UHFFFAOYSA-N 0 0 316.426 3.337 20 10 DGCDRN Nc1ccc(N(c2ccc(N)cc2)c2cnc3ccnn3c2)cc1 ZINC001204821443 1091042188 /nfs/dbraw/zinc/04/21/88/1091042188.db2.gz XKTLGRAUQALNHM-UHFFFAOYSA-N 0 0 316.368 3.364 20 10 DGCDRN C[C@@H]1C[N@H+](Cc2c([O-])cccc2F)CCC[C@]1(O)C(F)(F)F ZINC001137831691 1091092291 /nfs/dbraw/zinc/09/22/91/1091092291.db2.gz KBRBYBNKVASDJA-QMTHXVAHSA-N 0 0 321.314 3.057 20 10 DGCDRN Cc1ccccc1OCC[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC001205113934 1091105268 /nfs/dbraw/zinc/10/52/68/1091105268.db2.gz BBWXQACDJPOAIX-UHFFFAOYSA-N 0 0 307.340 3.490 20 10 DGCDRN OC[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)CC(F)(F)C1 ZINC001138215779 1091118233 /nfs/dbraw/zinc/11/82/33/1091118233.db2.gz VBPLCIJCXWIXGD-MRXNPFEDSA-N 0 0 324.415 3.126 20 10 DGCDRN CCOC(=O)[C@]12C[C@H]1CCN2Cc1c(C)n(C)c2ccccc21 ZINC001138253688 1091126757 /nfs/dbraw/zinc/12/67/57/1091126757.db2.gz CFVYADAUSQTZLI-KUHUBIRLSA-N 0 0 312.413 3.014 20 10 DGCDRN CCN(CC)c1ccc(CN2CC3(C2)CCCCO3)c(OC)c1 ZINC001138386094 1091161063 /nfs/dbraw/zinc/16/10/63/1091161063.db2.gz GYLXAMXBSVMRCF-UHFFFAOYSA-N 0 0 318.461 3.296 20 10 DGCDRN CCN(CC)c1ccc(CN2CCC(=O)[C@@H](F)CC2)c(OC)c1 ZINC001138386845 1091161126 /nfs/dbraw/zinc/16/11/26/1091161126.db2.gz XXUIQRKKTLTCNB-INIZCTEOSA-N 0 0 322.424 3.044 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CCCO[C@@H](C)C2)c(OC)c1 ZINC001138386191 1091161305 /nfs/dbraw/zinc/16/13/05/1091161305.db2.gz IXTHRXVJYXQKBU-HNNXBMFYSA-N 0 0 306.450 3.152 20 10 DGCDRN CCN(CC)c1ccc(CN2CCOC(C)(C)C2)c(OC)c1 ZINC001138387709 1091164043 /nfs/dbraw/zinc/16/40/43/1091164043.db2.gz ISZMULJAYGWVTN-UHFFFAOYSA-N 0 0 306.450 3.152 20 10 DGCDRN CCN(CC)c1ccc(CN2CCO[C@@H](C(C)C)C2)c(OC)c1 ZINC001138392293 1091164659 /nfs/dbraw/zinc/16/46/59/1091164659.db2.gz UTSKKDCGNNDCNF-LJQANCHMSA-N 0 0 320.477 3.398 20 10 DGCDRN Oc1cc(F)c(F)cc1CN[C@H]1COc2cc(F)cc(F)c21 ZINC001205394425 1091210905 /nfs/dbraw/zinc/21/09/05/1091210905.db2.gz OZDUBJZRELPHTL-LBPRGKRZSA-N 0 0 313.250 3.172 20 10 DGCDRN CN(Cc1ccc(O)cc1)Cc1c(O)cccc1Br ZINC001205696899 1091316048 /nfs/dbraw/zinc/31/60/48/1091316048.db2.gz QINDCBXEDRVDSH-UHFFFAOYSA-N 0 0 322.202 3.492 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1ccnc(Cl)c1)CCC2 ZINC001138820274 1091341297 /nfs/dbraw/zinc/34/12/97/1091341297.db2.gz XOMTUPPHZGZDSS-UHFFFAOYSA-N 0 0 304.777 3.095 20 10 DGCDRN Cc1cc(-c2nc3ccccc3n2C)c(-c2cnc(C)nc2)nn1 ZINC001205841154 1091376584 /nfs/dbraw/zinc/37/65/84/1091376584.db2.gz WNYARQQBVJDWBJ-UHFFFAOYSA-N 0 0 316.368 3.104 20 10 DGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001139129549 1091459674 /nfs/dbraw/zinc/45/96/74/1091459674.db2.gz ALEGHRLJYHKNHQ-VXGBXAGGSA-N 0 0 301.386 3.285 20 10 DGCDRN Cc1cc(CN2CCO[C@H](c3ccccn3)C2)ccc1N(C)C ZINC001139673009 1091638048 /nfs/dbraw/zinc/63/80/48/1091638048.db2.gz NWOVTPDEYNEVDT-IBGZPJMESA-N 0 0 311.429 3.030 20 10 DGCDRN Cc1cc(CN2CC[C@@H](CF)C(F)(F)C2)ccc1N(C)C ZINC001139669973 1091638332 /nfs/dbraw/zinc/63/83/32/1091638332.db2.gz SMMHQHGXFAUVDZ-AWEZNQCLSA-N 0 0 300.368 3.488 20 10 DGCDRN COC(=O)c1cccc(C[N@H+](C)Cc2c(F)ccc(F)c2[O-])c1 ZINC001139686316 1091642863 /nfs/dbraw/zinc/64/28/63/1091642863.db2.gz UPXNMXAIEONCFF-UHFFFAOYSA-N 0 0 321.323 3.089 20 10 DGCDRN CC1(NC(=O)Nc2c(-c3ccccn3)nc3ccccn32)CCC1 ZINC001206567178 1091671618 /nfs/dbraw/zinc/67/16/18/1091671618.db2.gz XABGGKMDDUAISP-UHFFFAOYSA-N 0 0 321.384 3.460 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001206728914 1091715388 /nfs/dbraw/zinc/71/53/88/1091715388.db2.gz XYMYVKDQSRVVLD-OAHLLOKOSA-N 0 0 305.324 3.324 20 10 DGCDRN C[C@@]1(F)CCN(Cc2c(O)cccc2Br)C[C@@H]1F ZINC001140098606 1091766810 /nfs/dbraw/zinc/76/68/10/1091766810.db2.gz HNOQUSOEDFXYBZ-QWHCGFSZSA-N 0 0 320.177 3.427 20 10 DGCDRN Oc1cccc(Br)c1CN1CCCC[C@@H](F)C1 ZINC001140098934 1091766870 /nfs/dbraw/zinc/76/68/70/1091766870.db2.gz ULAQBXNOSRMSKR-SNVBAGLBSA-N 0 0 302.187 3.479 20 10 DGCDRN COc1ccc([C@@H]([NH2+]Cc2cc(F)c(F)cc2[O-])C2CC2)cn1 ZINC001207025315 1091822210 /nfs/dbraw/zinc/82/22/10/1091822210.db2.gz DBDGGJDNCBQABL-KRWDZBQOSA-N 0 0 320.339 3.315 20 10 DGCDRN COc1cncc(NCc2cc(Br)cc(C)c2O)c1 ZINC001207076003 1091838118 /nfs/dbraw/zinc/83/81/18/1091838118.db2.gz KBGXKVJXHOSLLB-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN CCOc1ccc(N2CCN(Cc3c(C)noc3C)CC2)cc1 ZINC001207139794 1091858652 /nfs/dbraw/zinc/85/86/52/1091858652.db2.gz ILCLYJRFMOEQHK-UHFFFAOYSA-N 0 0 315.417 3.012 20 10 DGCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CC[C@H](OCc2ccccc2)C1 ZINC001140584204 1091919321 /nfs/dbraw/zinc/91/93/21/1091919321.db2.gz IVZCQAMXOJLGEL-HNNXBMFYSA-N 0 0 319.351 3.462 20 10 DGCDRN Cc1nc([C@H]2COCCN2Cc2cc(C)ccc2O)cs1 ZINC001140620988 1091934668 /nfs/dbraw/zinc/93/46/68/1091934668.db2.gz FNTYAEULYGOMJK-OAHLLOKOSA-N 0 0 304.415 3.039 20 10 DGCDRN CCN(Cc1ccc(N2CCOCC2)cc1F)CC(F)(F)F ZINC001140663873 1091950897 /nfs/dbraw/zinc/95/08/97/1091950897.db2.gz RDLQTUAPEUKPPL-UHFFFAOYSA-N 0 0 320.330 3.047 20 10 DGCDRN CCOc1nc2cc(NC(=O)C3=CC(=O)CS3)ccc2o1 ZINC001298221314 1092044097 /nfs/dbraw/zinc/04/40/97/1092044097.db2.gz HMRBNVDNLNVNRF-UHFFFAOYSA-N 0 0 304.327 3.246 20 10 DGCDRN CN(Cc1ccccc1O)c1nnc(C2CC2)n1CCC1CC1 ZINC001298364267 1092056108 /nfs/dbraw/zinc/05/61/08/1092056108.db2.gz XARWAYQDLPKMJN-UHFFFAOYSA-N 0 0 312.417 3.298 20 10 DGCDRN CCCN(CC(=O)OCC)Cc1ccc(N(C)C)cc1Cl ZINC001140924681 1092064764 /nfs/dbraw/zinc/06/47/64/1092064764.db2.gz MGDBCPMITQIGMZ-UHFFFAOYSA-N 0 0 312.841 3.181 20 10 DGCDRN COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2Cl)[C@@H]1C ZINC001140925284 1092065092 /nfs/dbraw/zinc/06/50/92/1092065092.db2.gz QWVMSWBAZWRENS-IUODEOHRSA-N 0 0 324.852 3.180 20 10 DGCDRN Cn1cncc1C1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC001207824364 1092109365 /nfs/dbraw/zinc/10/93/65/1092109365.db2.gz QIDXWHFXGOSRDT-UHFFFAOYSA-N 0 0 323.799 3.298 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCc2c(Cl)cc(F)cc2C1 ZINC001141588009 1092283762 /nfs/dbraw/zinc/28/37/62/1092283762.db2.gz CQMCRLKYARDMMH-UHFFFAOYSA-N 0 0 321.735 3.089 20 10 DGCDRN COc1ccc(NC(=O)N[C@H](C)c2ccccc2O)c(F)c1 ZINC001208343071 1092319290 /nfs/dbraw/zinc/31/92/90/1092319290.db2.gz SXZKBIJMBUJTKE-SNVBAGLBSA-N 0 0 304.321 3.423 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C[C@@H]1CCC2(CCC2)O1 ZINC001168858977 1092402418 /nfs/dbraw/zinc/40/24/18/1092402418.db2.gz IGRJBTOSWYMOBT-HNNXBMFYSA-N 0 0 302.418 3.053 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)Cc1ccccn1 ZINC001142170685 1092425418 /nfs/dbraw/zinc/42/54/18/1092425418.db2.gz MDRUAZNUBBIHJE-IBGZPJMESA-N 0 0 324.424 3.386 20 10 DGCDRN O=C(CCc1cnccc1C(F)(F)F)NCc1ccccc1O ZINC001142340314 1092470252 /nfs/dbraw/zinc/47/02/52/1092470252.db2.gz CSNCDNDNFNQWBC-UHFFFAOYSA-N 0 0 324.302 3.055 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001142520030 1092495039 /nfs/dbraw/zinc/49/50/39/1092495039.db2.gz AEMSDLPKFYZRBF-AWEZNQCLSA-N 0 0 305.324 3.324 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001142530961 1092497456 /nfs/dbraw/zinc/49/74/56/1092497456.db2.gz MTBITJQVCPPXQQ-CQSZACIVSA-N 0 0 320.339 3.109 20 10 DGCDRN COC(=O)COc1ccc(N(C)Cc2cc(C)ccc2C)cc1 ZINC001169187190 1092577409 /nfs/dbraw/zinc/57/74/09/1092577409.db2.gz CXORSPVCJJIGLG-UHFFFAOYSA-N 0 0 313.397 3.492 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC1CC(C)C1 ZINC001149167259 1092665879 /nfs/dbraw/zinc/66/58/79/1092665879.db2.gz DGQBEIWPRGNQAZ-UHFFFAOYSA-N 0 0 310.397 3.435 20 10 DGCDRN Cc1ccc(C(=O)NCC2(OC(C)C)CCCCC2)c(O)c1O ZINC001149713643 1092725159 /nfs/dbraw/zinc/72/51/59/1092725159.db2.gz NQIOZSWETITALZ-UHFFFAOYSA-N 0 0 321.417 3.264 20 10 DGCDRN Cc1ccc(F)c2oc(C(=O)NCc3ccc(O)c(O)c3)cc21 ZINC001150378989 1092774495 /nfs/dbraw/zinc/77/44/95/1092774495.db2.gz ZLUXJUHXVIUFEH-UHFFFAOYSA-N 0 0 315.300 3.222 20 10 DGCDRN Cc1cc(CNC(=O)C2CSC2)c(C)n1-c1ccccc1 ZINC001151154671 1092870484 /nfs/dbraw/zinc/87/04/84/1092870484.db2.gz YXXPGOPMASSTKP-UHFFFAOYSA-N 0 0 300.427 3.073 20 10 DGCDRN O=C(c1ccc(Nc2ccc3c(c2)OCCN3)cc1)N1CCCC1 ZINC001209728552 1092894702 /nfs/dbraw/zinc/89/47/02/1092894702.db2.gz QULNIHANYRPFEQ-UHFFFAOYSA-N 0 0 323.396 3.471 20 10 DGCDRN COC(=O)c1cc(Nc2ccc3c(c2)OCCN3)ccc1F ZINC001209766150 1092910388 /nfs/dbraw/zinc/91/03/88/1092910388.db2.gz FWEQNDXHTPQPLV-UHFFFAOYSA-N 0 0 302.305 3.160 20 10 DGCDRN COC(=O)c1ccc(Nc2ccc3c(c2)OCCN3)cc1F ZINC001209766989 1092910872 /nfs/dbraw/zinc/91/08/72/1092910872.db2.gz GVQJQIOUMSDVLD-UHFFFAOYSA-N 0 0 302.305 3.160 20 10 DGCDRN COC(=O)C1(c2ccc(Nc3ccc4c(c3)OCCN4)cc2)CC1 ZINC001209788114 1092923350 /nfs/dbraw/zinc/92/33/50/1092923350.db2.gz FPCLKKLBZJEKSM-UHFFFAOYSA-N 0 0 324.380 3.439 20 10 DGCDRN COC(=O)c1c(F)cc(F)cc1Nc1ccc2c(c1)OCCN2 ZINC001209788598 1092924099 /nfs/dbraw/zinc/92/40/99/1092924099.db2.gz OMSFUUYKGORVAP-UHFFFAOYSA-N 0 0 320.295 3.299 20 10 DGCDRN COC(=O)c1cc(C)c(F)cc1Nc1ccc2c(c1)OCCN2 ZINC001209788458 1092924350 /nfs/dbraw/zinc/92/43/50/1092924350.db2.gz FVUMFTBQGPYSIM-UHFFFAOYSA-N 0 0 316.332 3.469 20 10 DGCDRN COC(=O)Cc1cc(Nc2ccc3c(c2)OCCN3)ccc1C ZINC001209792405 1092926048 /nfs/dbraw/zinc/92/60/48/1092926048.db2.gz OCCIKEAJEXACSC-UHFFFAOYSA-N 0 0 312.369 3.258 20 10 DGCDRN COC(=O)Cc1ccc(F)c(Nc2ccc3c(c2)OCCN3)c1 ZINC001209792922 1092926311 /nfs/dbraw/zinc/92/63/11/1092926311.db2.gz ZJBJXPWWFYKTNU-UHFFFAOYSA-N 0 0 316.332 3.089 20 10 DGCDRN CC(C)Oc1ccc(N(CCO)c2ccc(N)cc2)c(F)c1 ZINC001209838201 1092943067 /nfs/dbraw/zinc/94/30/67/1092943067.db2.gz XFDSVOQMZOWNCU-UHFFFAOYSA-N 0 0 304.365 3.326 20 10 DGCDRN CC(C)Oc1ccccc1N(c1ccc(N)cc1)S(C)(=O)=O ZINC001210022328 1093019909 /nfs/dbraw/zinc/01/99/09/1093019909.db2.gz DVNGZEQVWBQNJS-UHFFFAOYSA-N 0 0 320.414 3.154 20 10 DGCDRN CCOC(=O)c1cc(N(C)c2ccc(N)cc2)cc([N+](=O)[O-])c1 ZINC001211375979 1093475402 /nfs/dbraw/zinc/47/54/02/1093475402.db2.gz SCGQEKBGVOUDOF-UHFFFAOYSA-N 0 0 315.329 3.122 20 10 DGCDRN CN(c1ccc(N)cc1)c1ccc(OC(F)(F)F)c(CO)c1 ZINC001214835403 1093861642 /nfs/dbraw/zinc/86/16/42/1093861642.db2.gz RLLHEAYDWHOCSD-UHFFFAOYSA-N 0 0 312.291 3.428 20 10 DGCDRN Cn1ccc2ccc(-c3noc(-c4cccc(O)c4O)n3)cc21 ZINC001215145816 1093927392 /nfs/dbraw/zinc/92/73/92/1093927392.db2.gz KVRRIOCMAFDLKU-UHFFFAOYSA-N 0 0 307.309 3.307 20 10 DGCDRN Oc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)c(O)c1O ZINC001215325466 1093960776 /nfs/dbraw/zinc/96/07/76/1093960776.db2.gz VJUUNFGZMCUIDB-UHFFFAOYSA-N 0 0 304.689 3.174 20 10 DGCDRN Oc1cc(-c2nc(-c3ccc4ccncc4c3)no2)cc(O)c1O ZINC001215327441 1093961834 /nfs/dbraw/zinc/96/18/34/1093961834.db2.gz BAKWUXXJBBYDIF-UHFFFAOYSA-N 0 0 321.292 3.069 20 10 DGCDRN Cc1cc(-c2noc(-c3cc(O)c(O)c(O)c3)n2)cc(C)c1F ZINC001215327641 1093961962 /nfs/dbraw/zinc/96/19/62/1093961962.db2.gz MAGDSIDXRHRNHU-UHFFFAOYSA-N 0 0 316.288 3.276 20 10 DGCDRN CON(C)C(=O)c1ccc(Nc2cccc(O)c2O)c(Cl)c1 ZINC001215902125 1094083196 /nfs/dbraw/zinc/08/31/96/1094083196.db2.gz IUGZMXALOLLCFF-UHFFFAOYSA-N 0 0 322.748 3.128 20 10 DGCDRN COc1cc(-c2nc(-c3cc(C)ccc3F)no2)cc(O)c1O ZINC001216944069 1094282811 /nfs/dbraw/zinc/28/28/11/1094282811.db2.gz FZHSIDKWYFFUES-UHFFFAOYSA-N 0 0 316.288 3.271 20 10 DGCDRN COc1ccccc1-c1noc(-c2ccc(O)c(O)c2Cl)n1 ZINC001216951639 1094283363 /nfs/dbraw/zinc/28/33/63/1094283363.db2.gz IVYJYFDEFKWOFX-UHFFFAOYSA-N 0 0 318.716 3.477 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)/C=C/c2nccs2)cc1 ZINC001121020878 1094571722 /nfs/dbraw/zinc/57/17/22/1094571722.db2.gz WMMYOLVYSGGNJO-MDZDMXLPSA-N 0 0 315.442 3.319 20 10 DGCDRN CCOC(=O)CN(Cc1ccc(N)cc1)[C@@H](C)c1ccccc1 ZINC001336286245 1094616529 /nfs/dbraw/zinc/61/65/29/1094616529.db2.gz PVKTUJXORYBXMR-HNNXBMFYSA-N 0 0 312.413 3.395 20 10 DGCDRN O=C1C=CC=CC1=NNc1ccccc1O[C@@H]1CCNC(=O)C1 ZINC001218210003 1094661859 /nfs/dbraw/zinc/66/18/59/1094661859.db2.gz QLHKAZXNBMYSNB-WMSNYHIESA-N 0 0 311.341 3.465 20 10 DGCDRN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001135997500 1094790805 /nfs/dbraw/zinc/79/08/05/1094790805.db2.gz NAYOYTVGNCCZEI-LLVKDONJSA-N 0 0 308.341 3.440 20 10 DGCDRN CC(C)(CNC(=O)NCc1ccc(N)cc1)c1cccs1 ZINC001337015667 1094818363 /nfs/dbraw/zinc/81/83/63/1094818363.db2.gz KWNYJCRTAKLVSG-UHFFFAOYSA-N 0 0 303.431 3.107 20 10 DGCDRN COc1ccc([C@@H](C)NC(=O)NCc2ccc(N)cc2)cc1C ZINC001337024401 1094821686 /nfs/dbraw/zinc/82/16/86/1094821686.db2.gz RWJBIZGMXXFGQT-CYBMUJFWSA-N 0 0 313.401 3.146 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C)CCC(C)CC1 ZINC001337165848 1094880831 /nfs/dbraw/zinc/88/08/31/1094880831.db2.gz IQIOXRUAVVBIKT-YNAXMUEKSA-N 0 0 305.418 3.361 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1ccccc1O ZINC001122150166 1094913588 /nfs/dbraw/zinc/91/35/88/1094913588.db2.gz SORNIZAZHRVSHX-DRCJMICCSA-N 0 0 308.381 3.091 20 10 DGCDRN CC[C@@H](NC(=O)Cc1ccc(N)cc1)c1cc(F)ccc1OC ZINC001122258148 1094936059 /nfs/dbraw/zinc/93/60/59/1094936059.db2.gz MMAGIYIZDJLYAR-MRXNPFEDSA-N 0 0 316.376 3.227 20 10 DGCDRN C[C@H](NC(=O)C1(Cc2ccc(O)cc2)CC1)c1ccccc1O ZINC001337391415 1094957367 /nfs/dbraw/zinc/95/73/67/1094957367.db2.gz ACQYWCIGXBQKMP-ZDUSSCGKSA-N 0 0 311.381 3.298 20 10 DGCDRN Nc1ccc(CC(=O)Nc2ccc3ncnc(Cl)c3c2)cc1 ZINC001219373088 1094968294 /nfs/dbraw/zinc/96/82/94/1094968294.db2.gz MBIUWSCFGBNQRF-UHFFFAOYSA-N 0 0 312.760 3.047 20 10 DGCDRN CCCCN(CC(=O)OCC)Cc1ccc(N(C)C)c(C)c1 ZINC001139673154 1095018131 /nfs/dbraw/zinc/01/81/31/1095018131.db2.gz AKHPYSULHRGABR-UHFFFAOYSA-N 0 0 306.450 3.226 20 10 DGCDRN CC(C)Cn1c(CC(F)F)nnc1N(C)Cc1ccccc1O ZINC001122713337 1095042421 /nfs/dbraw/zinc/04/24/21/1095042421.db2.gz LEINRWMYQNWCHK-UHFFFAOYSA-N 0 0 324.375 3.084 20 10 DGCDRN CC(C)Cn1c(C2SC=CC2=O)nnc1N1CC[C@H]2C[C@H]2C1 ZINC001122833558 1095076434 /nfs/dbraw/zinc/07/64/34/1095076434.db2.gz UYLJIMUARXZEDY-RYUDHWBXSA-N 0 0 318.446 3.214 20 10 DGCDRN CC[C@@H]1CC[C@H](C)N(c2nnc(C3SC=CC3=O)n2C)C1 ZINC001337959238 1095149842 /nfs/dbraw/zinc/14/98/42/1095149842.db2.gz YDEWRQIURVGGIP-WDEREUQCSA-N 0 0 306.435 3.264 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)C3(C)CC=CC3)C2)cc1 ZINC001123074196 1095150359 /nfs/dbraw/zinc/15/03/59/1095150359.db2.gz MFQGBEGKDOANLO-OAHLLOKOSA-N 0 0 315.413 3.421 20 10 DGCDRN O=C(NCc1cccc(F)c1)NCc1cc(Cl)ccc1O ZINC001220811512 1095158413 /nfs/dbraw/zinc/15/84/13/1095158413.db2.gz GYTQLYMNPHKMKT-UHFFFAOYSA-N 0 0 308.740 3.184 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC2(C)C(C)(C)C2(C)C)cc1 ZINC001221011437 1095187049 /nfs/dbraw/zinc/18/70/49/1095187049.db2.gz JRSWMKOWQUVNLR-UHFFFAOYSA-N 0 0 303.450 3.377 20 10 DGCDRN COc1ccc(CC2(NC(=O)Cc3ccc(N)cc3)CCC2)cc1 ZINC001221162262 1095208406 /nfs/dbraw/zinc/20/84/06/1095208406.db2.gz QQQPZIUWENRVRW-UHFFFAOYSA-N 0 0 324.424 3.102 20 10 DGCDRN CCc1cnc(NC(=O)c2ccc(N=NC(N)=O)cc2)s1 ZINC001136911737 1095229187 /nfs/dbraw/zinc/22/91/87/1095229187.db2.gz DXNNGNLWGZVASP-UHFFFAOYSA-N 0 0 303.347 3.120 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(Cl)[nH]1 ZINC001123495991 1095319646 /nfs/dbraw/zinc/31/96/46/1095319646.db2.gz PEUCVIGRCUYWRQ-UHFFFAOYSA-N 0 0 303.793 3.198 20 10 DGCDRN CO[C@H]1CCC[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001338688495 1095362809 /nfs/dbraw/zinc/36/28/09/1095362809.db2.gz ULZYVUPPZVDBHJ-ROUUACIJSA-N 0 0 316.445 3.059 20 10 DGCDRN Cn1c(C2SC=CC2=O)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001338750738 1095378922 /nfs/dbraw/zinc/37/89/22/1095378922.db2.gz NXEJUKWYDZYWGJ-MNOVXSKESA-N 0 0 304.419 3.018 20 10 DGCDRN [O-]c1c(F)ccc(F)c1CN1CCCC[C@H]1C[NH+]1CCCC1 ZINC001139684653 1095400017 /nfs/dbraw/zinc/40/00/17/1095400017.db2.gz ONIIQMQIVSSAEQ-ZDUSSCGKSA-N 0 0 310.388 3.121 20 10 DGCDRN CN1C(=O)c2ccccc2N[C@@H]1c1ccc(N2CCCC2)cc1 ZINC001115862244 1095408532 /nfs/dbraw/zinc/40/85/32/1095408532.db2.gz KEWFZKHSAITUGM-SFHVURJKSA-N 0 0 307.397 3.483 20 10 DGCDRN CCn1nc(C(C)C)cc1C(=O)N(C)Cc1ccccc1O ZINC001115861527 1095408834 /nfs/dbraw/zinc/40/88/34/1095408834.db2.gz FGNDDJDEEYUCOM-UHFFFAOYSA-N 0 0 301.390 3.004 20 10 DGCDRN CO[C@@H]1CC[C@@H](NC(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC001338846956 1095410769 /nfs/dbraw/zinc/41/07/69/1095410769.db2.gz WSCARBZEQGEBFG-ZIAGYGMSSA-N 0 0 318.442 3.453 20 10 DGCDRN CC(C)OC(=O)c1ccc(NC(=O)Cc2ccc(N)cc2)cc1 ZINC000319759758 1095411258 /nfs/dbraw/zinc/41/12/58/1095411258.db2.gz VSHPIJWZZADKNC-UHFFFAOYSA-N 0 0 312.369 3.015 20 10 DGCDRN O=C(/C=C\c1nccs1)NCc1c(O)ccc2c1CCCC2 ZINC001123734370 1095414810 /nfs/dbraw/zinc/41/48/10/1095414810.db2.gz BAGKMBJAMKKHIZ-FPLPWBNLSA-N 0 0 314.410 3.057 20 10 DGCDRN O=C(NCCc1ccc(F)cc1)NCc1cccc(Cl)c1O ZINC001222100195 1095434702 /nfs/dbraw/zinc/43/47/02/1095434702.db2.gz KZJQGGKXTAOIDP-UHFFFAOYSA-N 0 0 322.767 3.227 20 10 DGCDRN CC1(C)[C@H](C(=O)NCc2cccc(O)c2O)[C@H]1c1ccccc1 ZINC001123979021 1095503002 /nfs/dbraw/zinc/50/30/02/1095503002.db2.gz ZMSOFEIJMKOUAF-CVEARBPZSA-N 0 0 311.381 3.154 20 10 DGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@H](O)CC(C)C ZINC001144181333 1095544878 /nfs/dbraw/zinc/54/48/78/1095544878.db2.gz YKGMFVHSTFBDNZ-PBHICJAKSA-N 0 0 319.445 3.156 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ocnc2-c2ccccc2)cc1 ZINC001124479805 1095598951 /nfs/dbraw/zinc/59/89/51/1095598951.db2.gz GSPPEEKZOABZFB-UHFFFAOYSA-N 0 0 321.380 3.338 20 10 DGCDRN [O-]c1cc(F)c(Br)cc1C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001144308241 1095601836 /nfs/dbraw/zinc/60/18/36/1095601836.db2.gz UHQJUAJINHDNTO-QPUJVOFHSA-N 0 0 300.171 3.278 20 10 DGCDRN C[C@H](OCC1CC1)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001124549572 1095603633 /nfs/dbraw/zinc/60/36/33/1095603633.db2.gz NBSFVDHIBYOVCJ-HNNXBMFYSA-N 0 0 316.445 3.060 20 10 DGCDRN C[C@@H](Nc1ccc(CCC(N)=O)cc1)c1ccc(F)cc1O ZINC001116589421 1095608956 /nfs/dbraw/zinc/60/89/56/1095608956.db2.gz WMBUTUINXSJBGK-LLVKDONJSA-N 0 0 302.349 3.122 20 10 DGCDRN CO[C@](C)(C(=O)N(C)Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001124622012 1095609679 /nfs/dbraw/zinc/60/96/79/1095609679.db2.gz ASVGVMBPNYCTQS-IBGZPJMESA-N 0 0 316.445 3.060 20 10 DGCDRN Oc1ccc(Br)cc1CNc1cnc2[nH]ccc2n1 ZINC001171178261 1095649783 /nfs/dbraw/zinc/64/97/83/1095649783.db2.gz VCLCRKLHFUQXQM-UHFFFAOYSA-N 0 0 319.162 3.038 20 10 DGCDRN CCOC(=O)[C@@H](NCc1ccc(N(CC)CC)c(F)c1)C1CC1 ZINC001116755940 1095651285 /nfs/dbraw/zinc/65/12/85/1095651285.db2.gz XXXJGPXXCWRPHD-KRWDZBQOSA-N 0 0 322.424 3.103 20 10 DGCDRN Cc1ccc(N2CC[NH+](Cc3c([O-])cccc3F)CC2)cc1C ZINC001137831973 1095756419 /nfs/dbraw/zinc/75/64/19/1095756419.db2.gz VKWMDIDRGKDFFI-UHFFFAOYSA-N 0 0 314.404 3.470 20 10 DGCDRN Cc1ccc(C2(O)CC[NH+](Cc3c([O-])cccc3F)CC2)cc1 ZINC001137831715 1095756461 /nfs/dbraw/zinc/75/64/61/1095756461.db2.gz KWJLXDSZAMCDCM-UHFFFAOYSA-N 0 0 315.388 3.323 20 10 DGCDRN [O-]c1cccc(F)c1C[N@@H+]1CC[C@H](Oc2cc(F)ccc2F)C1 ZINC001137837808 1095760209 /nfs/dbraw/zinc/76/02/09/1095760209.db2.gz VOPCNSAQFKYCOI-LBPRGKRZSA-N 0 0 323.314 3.463 20 10 DGCDRN CSc1ccc(C(=O)Nc2c3nonc3ccc2Cl)o1 ZINC001117547831 1095781584 /nfs/dbraw/zinc/78/15/84/1095781584.db2.gz MNNWVHVHJMRBMI-UHFFFAOYSA-N 0 0 309.734 3.443 20 10 DGCDRN Cc1ccc(OCCC(=O)N2CCc3cccc(O)c3C2)cc1 ZINC001144759682 1095812134 /nfs/dbraw/zinc/81/21/34/1095812134.db2.gz QUBFFRMZBHHCOE-UHFFFAOYSA-N 0 0 311.381 3.054 20 10 DGCDRN C[C@H]1C[N@H+](Cc2cccc(F)c2[O-])CCC[C@]1(O)C(F)(F)F ZINC001138122677 1095895268 /nfs/dbraw/zinc/89/52/68/1095895268.db2.gz UMUHVDMDANYVIL-IINYFYTJSA-N 0 0 321.314 3.057 20 10 DGCDRN CN1CC[N@H+](Cc2cccc(F)c2[O-])C[C@@H]1c1ccccc1 ZINC001138127837 1095898302 /nfs/dbraw/zinc/89/83/02/1095898302.db2.gz RIFQTPRCKXOLRP-QGZVFWFLSA-N 0 0 300.377 3.020 20 10 DGCDRN O=C(Nc1cccc(N2CCCCC2)c1)c1ccc2nonc2c1 ZINC001118155333 1095948718 /nfs/dbraw/zinc/94/87/18/1095948718.db2.gz OYAXMDFTAHXNPC-UHFFFAOYSA-N 0 0 322.368 3.465 20 10 DGCDRN Cc1cc(C(=O)NCc2cc(Cl)ccc2O)sc1C=O ZINC001146233095 1096008831 /nfs/dbraw/zinc/00/88/31/1096008831.db2.gz QIEOGWVDJMMJBT-UHFFFAOYSA-N 0 0 309.774 3.158 20 10 DGCDRN COc1cc(CN[C@H](C)c2noc(C)n2)c(O)c(C(C)(C)C)c1 ZINC001118578755 1096039602 /nfs/dbraw/zinc/03/96/02/1096039602.db2.gz YHVGAVDKGLJARZ-SNVBAGLBSA-N 0 0 319.405 3.241 20 10 DGCDRN CN(C)c1ccc(/C=C\CN2CCO[C@@](C)(C(F)F)C2)cc1 ZINC001118674092 1096052748 /nfs/dbraw/zinc/05/27/48/1096052748.db2.gz IMXSCMXRMBYBSG-VGOKWCNXSA-N 0 0 310.388 3.122 20 10 DGCDRN Cc1csc(CCCNC(=O)N[C@H](C)c2ccccc2O)n1 ZINC001118971034 1096112578 /nfs/dbraw/zinc/11/25/78/1096112578.db2.gz SRXPWICAZKKYRD-GFCCVEGCSA-N 0 0 319.430 3.150 20 10 DGCDRN Cc1cc(NCc2ccc(N3CCSCC3)cc2)nc(F)n1 ZINC001119341301 1096173477 /nfs/dbraw/zinc/17/34/77/1096173477.db2.gz OSWBLZGTTXGEPK-UHFFFAOYSA-N 0 0 318.421 3.089 20 10 DGCDRN CC[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1cc(F)ccc1F ZINC001147218957 1096189465 /nfs/dbraw/zinc/18/94/65/1096189465.db2.gz RXJTVRIARYDPLV-AWEZNQCLSA-N 0 0 321.323 3.186 20 10 DGCDRN COc1cccc(O)c1CNc1cccc(N=S(C)(C)=O)c1 ZINC001119517554 1096219450 /nfs/dbraw/zinc/21/94/50/1096219450.db2.gz XODLBAARPQFKQZ-UHFFFAOYSA-N 0 0 320.414 3.372 20 10 DGCDRN CC(C)(C)c1nsc(NC(=O)N2Cc3cccc(O)c3C2)n1 ZINC001119694277 1096246743 /nfs/dbraw/zinc/24/67/43/1096246743.db2.gz GQHKJDWYFCNYCY-UHFFFAOYSA-N 0 0 318.402 3.089 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Cc2ccc3cccnc3c2)c1 ZINC001147961384 1096297279 /nfs/dbraw/zinc/29/72/79/1096297279.db2.gz DEBQGNNJLWJKTI-UHFFFAOYSA-N 0 0 306.365 3.108 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC001147957523 1096297771 /nfs/dbraw/zinc/29/77/71/1096297771.db2.gz SKNFUTCRKPXARD-UHFFFAOYSA-N 0 0 314.341 3.156 20 10 DGCDRN O=C(Nc1nc2cc(F)c(Cl)cc2[nH]1)C1=CC(=O)CS1 ZINC001148516296 1096381115 /nfs/dbraw/zinc/38/11/15/1096381115.db2.gz GIJONKWMQJILOI-UHFFFAOYSA-N 0 0 311.725 3.375 20 10 DGCDRN CCCCN(Cc1ccccc1)C(=O)c1cc(O)c(O)c(O)c1 ZINC001148584604 1096407484 /nfs/dbraw/zinc/40/74/84/1096407484.db2.gz VVBBPKKJIIDNHW-UHFFFAOYSA-N 0 0 315.369 3.246 20 10 DGCDRN Oc1cc2ccccc2cc1CNc1cnc2c(c1)OCCO2 ZINC001171404677 1096674814 /nfs/dbraw/zinc/67/48/14/1096674814.db2.gz IJUWGGBVPCZEGM-UHFFFAOYSA-N 0 0 308.337 3.324 20 10 DGCDRN Oc1cc2ccccc2cc1CNc1cnc(N2CCC2)nc1 ZINC001171404655 1096675206 /nfs/dbraw/zinc/67/52/06/1096675206.db2.gz HDQOAXYMCPVCMP-UHFFFAOYSA-N 0 0 306.369 3.158 20 10 DGCDRN C[C@H](Oc1c(O)c(O)c(O)c(O)c1O)c1ccc(Cl)cc1 ZINC001226464145 1096695887 /nfs/dbraw/zinc/69/58/87/1096695887.db2.gz DMFGXCKCXICFHK-LURJTMIESA-N 0 0 312.705 3.008 20 10 DGCDRN Oc1ccc(C[NH2+][C@@H]2CCc3cc(F)c(F)cc3C2)c(O)c1 ZINC001171458221 1096890284 /nfs/dbraw/zinc/89/02/84/1096890284.db2.gz JJDPSULWBORRAO-CYBMUJFWSA-N 0 0 305.324 3.023 20 10 DGCDRN C[C@@H]1CCC[C@@H](CNC(=O)NCc2c(O)cccc2F)[C@@H]1C ZINC001227439344 1096932955 /nfs/dbraw/zinc/93/29/55/1096932955.db2.gz WCORREYKDUBYEN-UPJWGTAASA-N 0 0 308.397 3.403 20 10 DGCDRN C[C@@H]1CCC[C@H](CNC(=O)NCc2c(O)cccc2F)[C@@H]1C ZINC001227439343 1096933171 /nfs/dbraw/zinc/93/31/71/1096933171.db2.gz WCORREYKDUBYEN-JHJVBQTASA-N 0 0 308.397 3.403 20 10 DGCDRN O=C1c2ccccc2C(=O)c2c1ccc(O)c2O[C@@H]1C=CCC1 ZINC001227579998 1096953956 /nfs/dbraw/zinc/95/39/56/1096953956.db2.gz DJHCVOFQNRQBAB-LLVKDONJSA-N 0 0 306.317 3.265 20 10 DGCDRN C[C@@H](NC(=O)CNc1ccccc1Cl)c1ccccc1O ZINC001171722743 1096954298 /nfs/dbraw/zinc/95/42/98/1096954298.db2.gz CNNVDUQSDRZPAG-LLVKDONJSA-N 0 0 304.777 3.335 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCC1(C)CC1 ZINC001227757687 1096983640 /nfs/dbraw/zinc/98/36/40/1096983640.db2.gz HBGXOSRRCPRXHT-OAHLLOKOSA-N 0 0 317.477 3.481 20 10 DGCDRN CC(C)OCCOc1c(O)c(O)ccc1C(=O)c1ccccc1 ZINC001227937071 1097016428 /nfs/dbraw/zinc/01/64/28/1097016428.db2.gz AAUDASUKAYGSKX-UHFFFAOYSA-N 0 0 316.353 3.133 20 10 DGCDRN CC[C@@H](COC)Oc1cccc2c1C(=O)c1ccccc1C2=O ZINC001228074973 1097045638 /nfs/dbraw/zinc/04/56/38/1097045638.db2.gz VDZYYMPDTOIVFC-LBPRGKRZSA-N 0 0 310.349 3.266 20 10 DGCDRN CC(=O)N1CCN(c2ccc(O[C@H]3CC[C@@H](C)CC3)cc2)CC1 ZINC001228201369 1097072806 /nfs/dbraw/zinc/07/28/06/1097072806.db2.gz MSJHNAFKOGZEOX-RHNCMZPLSA-N 0 0 316.445 3.313 20 10 DGCDRN CC(C)c1snnc1-c1nc(-c2ccc3nccnc3c2)no1 ZINC001212687078 1097260038 /nfs/dbraw/zinc/26/00/38/1097260038.db2.gz AIBMGALBMBOCHZ-UHFFFAOYSA-N 0 0 324.369 3.322 20 10 DGCDRN COc1c(C)c(OC2CC2)cc2c1C(=O)c1ccccc1C2=O ZINC001229459086 1097325590 /nfs/dbraw/zinc/32/55/90/1097325590.db2.gz YHAYFVBXLURCPM-UHFFFAOYSA-N 0 0 308.333 3.320 20 10 DGCDRN O=C(NCc1c(O)cccc1F)N[C@@H]1C[C@H]1c1ccccc1F ZINC001229867668 1097402630 /nfs/dbraw/zinc/40/26/30/1097402630.db2.gz YMJNORVFKURQCP-XHDPSFHLSA-N 0 0 318.323 3.026 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CNc2ccccc21 ZINC000325298918 1097438102 /nfs/dbraw/zinc/43/81/02/1097438102.db2.gz VAXOHPSTPRNANC-GOSISDBHSA-N 0 0 323.440 3.310 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC1(C(C)C)CC1 ZINC001230194639 1097456311 /nfs/dbraw/zinc/45/63/11/1097456311.db2.gz DAYBDXSSVRRZMS-OAHLLOKOSA-N 0 0 317.477 3.480 20 10 DGCDRN CC(C)Oc1ccc(N(c2ccc(N)cc2)S(C)(=O)=O)cc1 ZINC001174109373 1097605352 /nfs/dbraw/zinc/60/53/52/1097605352.db2.gz SGXHCLVJRHOZNW-UHFFFAOYSA-N 0 0 320.414 3.154 20 10 DGCDRN COc1ccc(C(=O)c2ccccc2Nc2cnn(C)c2)cc1 ZINC001174332817 1097679448 /nfs/dbraw/zinc/67/94/48/1097679448.db2.gz SEJSDQFQGKBBEK-UHFFFAOYSA-N 0 0 307.353 3.403 20 10 DGCDRN COc1ccc(N(c2ccc(N)cc2)c2ccc(=O)n(C)c2)cc1 ZINC001174358949 1097695214 /nfs/dbraw/zinc/69/52/14/1097695214.db2.gz FELGETZKQGKGBO-UHFFFAOYSA-N 0 0 321.380 3.446 20 10 DGCDRN O=C1c2ccccc2C(=O)c2cc(O[C@@H]3CCCOC3)ccc21 ZINC001231265424 1097708165 /nfs/dbraw/zinc/70/81/65/1097708165.db2.gz FAEQAPWCQRJUHJ-CYBMUJFWSA-N 0 0 308.333 3.020 20 10 DGCDRN CC1(C)C[N@H+](Cc2ccc(C(=O)[O-])cc2O)Cc2ccccc21 ZINC001231453077 1097752932 /nfs/dbraw/zinc/75/29/32/1097752932.db2.gz BHNWDGHLIQPSKX-UHFFFAOYSA-N 0 0 311.381 3.384 20 10 DGCDRN CC[N@H+](Cc1ccc(C(=O)[O-])cc1O)Cc1cccc(F)c1F ZINC001231454140 1097753441 /nfs/dbraw/zinc/75/34/41/1097753441.db2.gz OLMOAQMYGCDGHM-UHFFFAOYSA-N 0 0 321.323 3.391 20 10 DGCDRN Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C(=O)[O-])cc2O)cn1 ZINC001231455706 1097753556 /nfs/dbraw/zinc/75/35/56/1097753556.db2.gz UEIAPCXTFAMIOC-MRXNPFEDSA-N 0 0 312.369 3.131 20 10 DGCDRN O=C([O-])c1ccc(O)c(CN2CCc3c4ccccc4oc3C2)c1 ZINC001231566052 1097780146 /nfs/dbraw/zinc/78/01/46/1097780146.db2.gz OOGOUKKIEOOQDG-UHFFFAOYSA-N 0 0 323.348 3.395 20 10 DGCDRN CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(C(=O)[O-])ccc1O ZINC001231566219 1097780486 /nfs/dbraw/zinc/78/04/86/1097780486.db2.gz VEQJXBJMESIBPQ-UHFFFAOYSA-N 0 0 315.369 3.121 20 10 DGCDRN C[N@H+](Cc1cc(C(=O)[O-])ccc1O)Cc1cccc2cccnc21 ZINC001231563668 1097780890 /nfs/dbraw/zinc/78/08/90/1097780890.db2.gz FHBSBRXEPIKSOQ-UHFFFAOYSA-N 0 0 322.364 3.271 20 10 DGCDRN COc1cc(CN2Cc3ccc(Cl)cc3C2)c(O)cc1O ZINC001231639319 1097798306 /nfs/dbraw/zinc/79/83/06/1097798306.db2.gz PGEBXJMVVGRORG-UHFFFAOYSA-N 0 0 305.761 3.276 20 10 DGCDRN Cc1cc(C)c(CN(C)CC(=O)OCc2ccccc2)c(O)c1 ZINC001231850715 1097865721 /nfs/dbraw/zinc/86/57/21/1097865721.db2.gz UIQXVOXCERDSHO-UHFFFAOYSA-N 0 0 313.397 3.184 20 10 DGCDRN Cc1cc2n(n1)c(=O)cc(C)n2Cc1ccc2ccccc2c1O ZINC001231881881 1097876740 /nfs/dbraw/zinc/87/67/40/1097876740.db2.gz KLDGRZKIGDPBQU-UHFFFAOYSA-N 0 0 319.364 3.020 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1cc(Cl)cnc1F)CCC2 ZINC001231996077 1097909803 /nfs/dbraw/zinc/90/98/03/1097909803.db2.gz AWOIWVQUCVFQPD-UHFFFAOYSA-N 0 0 322.767 3.234 20 10 DGCDRN CSc1c(F)cccc1C(=O)N1Cc2cccc(O)c2C1 ZINC001175037574 1097925980 /nfs/dbraw/zinc/92/59/80/1097925980.db2.gz IOTPMUUSIJAHHC-UHFFFAOYSA-N 0 0 303.358 3.409 20 10 DGCDRN CN(Cc1ccccc1O)Cc1ncccc1Br ZINC001232165877 1097955427 /nfs/dbraw/zinc/95/54/27/1097955427.db2.gz PEENYDRBRNBLKQ-UHFFFAOYSA-N 0 0 307.191 3.182 20 10 DGCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2ccns2)C1 ZINC001232191899 1097961196 /nfs/dbraw/zinc/96/11/96/1097961196.db2.gz MSLHHYTZTZKOQU-UHFFFAOYSA-N 0 0 313.426 3.202 20 10 DGCDRN COc1ccc2c(c1)CCN(Cc1cc(Cl)c(O)cc1O)C2 ZINC001232260382 1097985248 /nfs/dbraw/zinc/98/52/48/1097985248.db2.gz OQXCAIZDVIABGJ-UHFFFAOYSA-N 0 0 319.788 3.318 20 10 DGCDRN CNC(=O)c1cc(N(c2ccccc2)c2ccc(N)cc2)ccn1 ZINC001175413417 1098038729 /nfs/dbraw/zinc/03/87/29/1098038729.db2.gz UYDRDZZHBNVGAL-UHFFFAOYSA-N 0 0 318.380 3.493 20 10 DGCDRN CC(C)c1cccc(N(C)S(=O)(=O)Cc2ccc(N)cc2)c1 ZINC001175775324 1098168114 /nfs/dbraw/zinc/16/81/14/1098168114.db2.gz ABQHYIGULPGCOY-UHFFFAOYSA-N 0 0 318.442 3.358 20 10 DGCDRN Oc1cc(CN2CCC[C@H]2c2c(F)cccc2F)cc(O)c1O ZINC001233015702 1098204131 /nfs/dbraw/zinc/20/41/31/1098204131.db2.gz XVOYDTQLGYNETL-ZDUSSCGKSA-N 0 0 321.323 3.419 20 10 DGCDRN [O-]c1cc(Br)cc(F)c1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001233030093 1098206967 /nfs/dbraw/zinc/20/69/67/1098206967.db2.gz MXXQWEPCMDIDDB-ARENWVFISA-N 0 0 318.161 3.226 20 10 DGCDRN [O-]c1c(CN2CCCC[C@@H]2C[NH+]2CCCC2)ccc(F)c1F ZINC001233077339 1098219064 /nfs/dbraw/zinc/21/90/64/1098219064.db2.gz JVCMPRZLWRCBKU-CQSZACIVSA-N 0 0 310.388 3.121 20 10 DGCDRN Cc1cc(Br)cc(CN2CC(OC(C)C)C2)c1O ZINC001233110355 1098228217 /nfs/dbraw/zinc/22/82/17/1098228217.db2.gz BJYXRZHWJSJTNW-UHFFFAOYSA-N 0 0 314.223 3.072 20 10 DGCDRN CCOC(=O)c1c(CN2CC(C(F)F)C2)c2ccccc2n1C ZINC001233273472 1098272162 /nfs/dbraw/zinc/27/21/62/1098272162.db2.gz DROYKCXAUQKVTB-UHFFFAOYSA-N 0 0 322.355 3.052 20 10 DGCDRN CC(C)(C)c1ccc(O)c(CN2C[C@@H](CO)CC(F)(F)C2)c1 ZINC001233284221 1098274276 /nfs/dbraw/zinc/27/42/76/1098274276.db2.gz MMKQCXNYKPIZHN-LBPRGKRZSA-N 0 0 313.388 3.139 20 10 DGCDRN COc1cc(Cl)cc(CN2CCc3nc(C)sc3C2)c1O ZINC001233289725 1098277264 /nfs/dbraw/zinc/27/72/64/1098277264.db2.gz KKLCCFPQCRKVNG-UHFFFAOYSA-N 0 0 324.833 3.377 20 10 DGCDRN COc1cc(Cl)cc(CN2Cc3nc(C)sc3C2)c1O ZINC001233290507 1098277884 /nfs/dbraw/zinc/27/78/84/1098277884.db2.gz GMYCCKNYIIHLSN-UHFFFAOYSA-N 0 0 310.806 3.335 20 10 DGCDRN CN(C)C(=O)c1cc(Nc2cccc(O)c2O)ccc1Cl ZINC001176155714 1098277938 /nfs/dbraw/zinc/27/79/38/1098277938.db2.gz OGBUNMOOWYATBN-UHFFFAOYSA-N 0 0 306.749 3.197 20 10 DGCDRN C[N@H+](CCCC(=O)c1cccnc1)Cc1c([O-])ccc(F)c1F ZINC001233335248 1098292135 /nfs/dbraw/zinc/29/21/35/1098292135.db2.gz NMCHFHKQCNQMCY-UHFFFAOYSA-N 0 0 320.339 3.160 20 10 DGCDRN Oc1ccc(F)c(F)c1CN1CCO[C@@H](c2ccccc2)C1 ZINC001233334571 1098292497 /nfs/dbraw/zinc/29/24/97/1098292497.db2.gz MECFWDUOFHSWCK-MRXNPFEDSA-N 0 0 305.324 3.244 20 10 DGCDRN [O-]c1ccc(F)c(F)c1C[NH+]1CCC2(CC(F)(F)CO2)CC1 ZINC001233332438 1098292596 /nfs/dbraw/zinc/29/25/96/1098292596.db2.gz LFZSYBOXJYEQNG-UHFFFAOYSA-N 0 0 319.298 3.061 20 10 DGCDRN Oc1ccc(F)c(F)c1CN1CCOC[C@H]1c1ccc(F)cc1 ZINC001233336521 1098294066 /nfs/dbraw/zinc/29/40/66/1098294066.db2.gz OMOWKKYVFXWOPH-HNNXBMFYSA-N 0 0 323.314 3.383 20 10 DGCDRN Oc1c(CN2CCc3cnccc3C2)cccc1C(F)(F)F ZINC001233415663 1098323190 /nfs/dbraw/zinc/32/31/90/1098323190.db2.gz DTLQUEKYXMPJBC-UHFFFAOYSA-N 0 0 308.303 3.364 20 10 DGCDRN CCCCOC1CN(Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233418111 1098324438 /nfs/dbraw/zinc/32/44/38/1098324438.db2.gz UNMCQHWNFSJXQO-UHFFFAOYSA-N 0 0 303.324 3.412 20 10 DGCDRN CC[N@H+](CCn1cccn1)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418463 1098325659 /nfs/dbraw/zinc/32/56/59/1098325659.db2.gz IALBHKVBMANZQX-UHFFFAOYSA-N 0 0 313.323 3.130 20 10 DGCDRN CCCCOC1CN(Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233454518 1098340360 /nfs/dbraw/zinc/34/03/60/1098340360.db2.gz XLSSDMULIVIZBM-UHFFFAOYSA-N 0 0 303.324 3.412 20 10 DGCDRN CCN1CCc2cc(O[C@@H]3CCC[C@H](C(=O)OC)C3)ccc21 ZINC001233601019 1098386682 /nfs/dbraw/zinc/38/66/82/1098386682.db2.gz FJFFCSQPSNXUKO-LSDHHAIUSA-N 0 0 303.402 3.180 20 10 DGCDRN CCN1CCc2cc(OC[C@@H]3COc4cscc4O3)ccc21 ZINC001233602634 1098387067 /nfs/dbraw/zinc/38/70/67/1098387067.db2.gz YBVCDFPHSAESSO-CQSZACIVSA-N 0 0 317.410 3.349 20 10 DGCDRN O=C(CCSc1ccc(F)cc1)NCc1cccc(O)c1O ZINC001176564522 1098387558 /nfs/dbraw/zinc/38/75/58/1098387558.db2.gz BPBBNMUGDSNXGF-UHFFFAOYSA-N 0 0 321.373 3.036 20 10 DGCDRN O=c1cc2[nH]cnc(O[C@H]3CCC(=O)c4ccccc43)c-2cc1O ZINC001233949334 1098464769 /nfs/dbraw/zinc/46/47/69/1098464769.db2.gz DCLGWVAHIRBTSM-KRWDZBQOSA-N 0 0 322.320 3.138 20 10 DGCDRN Cc1ccc2c(c1)[C@H](Oc1nc[nH]c3cc(=O)c(O)cc1-3)CC2 ZINC001233949792 1098465743 /nfs/dbraw/zinc/46/57/43/1098465743.db2.gz NSGHRDLRDDUEMD-QGZVFWFLSA-N 0 0 308.337 3.416 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]Cc2ccc(OC(F)F)cc2)c1 ZINC001177112063 1098479094 /nfs/dbraw/zinc/47/90/94/1098479094.db2.gz GUWRYYBWADKXEL-UHFFFAOYSA-N 0 0 324.283 3.192 20 10 DGCDRN CC(=O)c1cc(O)c(O)cc1O[C@H](C)COc1cccc(C)c1 ZINC001234476724 1098566380 /nfs/dbraw/zinc/56/63/80/1098566380.db2.gz OQLUKTCRUGYTQK-GFCCVEGCSA-N 0 0 316.353 3.455 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3C[C@@H](CO)CC[C@H]3C)c2c1 ZINC001234525967 1098581341 /nfs/dbraw/zinc/58/13/41/1098581341.db2.gz OKSMFTQEKGDZFP-KGLIPLIRSA-N 0 0 315.413 3.147 20 10 DGCDRN COCC[N@H+](Cc1c(O)ccc2ccc(OC)cc21)C(C)C ZINC001234552872 1098595808 /nfs/dbraw/zinc/59/58/08/1098595808.db2.gz MQJFWUYSQNZRFE-UHFFFAOYSA-N 0 0 303.402 3.411 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@H+](CCCO)C(C)C)c2c1 ZINC001234553152 1098596179 /nfs/dbraw/zinc/59/61/79/1098596179.db2.gz XFDVZAXWNWLDDG-UHFFFAOYSA-N 0 0 303.402 3.147 20 10 DGCDRN COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@@H](CCO)C3)c2c1 ZINC001234552825 1098596731 /nfs/dbraw/zinc/59/67/31/1098596731.db2.gz JLVAIUONOITOGG-AWEZNQCLSA-N 0 0 315.413 3.148 20 10 DGCDRN COc1cc(F)cc(OC)c1CNc1ccc2c(c1)ncn2C ZINC001178037298 1098700331 /nfs/dbraw/zinc/70/03/31/1098700331.db2.gz BAAHQNCRVZVPEM-UHFFFAOYSA-N 0 0 315.348 3.342 20 10 DGCDRN CN(C)c1ccc(/C=C\CNc2cccc(NC(N)=O)c2)cc1 ZINC001178042212 1098701716 /nfs/dbraw/zinc/70/17/16/1098701716.db2.gz QNRIVFAQNSAJQR-PLNGDYQASA-N 0 0 310.401 3.369 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[NH+]1CC2CC(C2)C1 ZINC001235064437 1098781132 /nfs/dbraw/zinc/78/11/32/1098781132.db2.gz DDWNHOJSDDTEMH-UHFFFAOYSA-N 0 0 300.171 3.136 20 10 DGCDRN Cc1ccc(CCCC(=O)NCc2c(O)cccc2F)cc1 ZINC001178410946 1098825753 /nfs/dbraw/zinc/82/57/53/1098825753.db2.gz ZVZZUZIYRTWLSQ-UHFFFAOYSA-N 0 0 301.361 3.479 20 10 DGCDRN Cc1ccc(OCCC(=O)NCc2c(O)cccc2F)c(C)c1 ZINC001178410077 1098826625 /nfs/dbraw/zinc/82/66/25/1098826625.db2.gz LFDZDTIISOXQBA-UHFFFAOYSA-N 0 0 317.360 3.233 20 10 DGCDRN O=C(/C=C/Sc1ccccc1)NCc1c(O)cccc1F ZINC001178413719 1098827505 /nfs/dbraw/zinc/82/75/05/1098827505.db2.gz XTKZWMRUBJYHPE-MDZDMXLPSA-N 0 0 303.358 3.454 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cnc2c(F)cccc2c1 ZINC001178413525 1098828716 /nfs/dbraw/zinc/82/87/16/1098828716.db2.gz UFIIRMGUKIEULL-UHFFFAOYSA-N 0 0 314.291 3.149 20 10 DGCDRN Oc1ccc(Cl)c(Cl)c1CN1CCCC12CC[NH2+]CC2 ZINC001235143949 1098832965 /nfs/dbraw/zinc/83/29/65/1098832965.db2.gz HFWJGBOXUMIKGX-UHFFFAOYSA-N 0 0 315.244 3.417 20 10 DGCDRN O=C(CCc1cc(Cl)cs1)NCc1c(O)cccc1O ZINC001178910789 1098969255 /nfs/dbraw/zinc/96/92/55/1098969255.db2.gz IUGYAGUBMZMIKH-UHFFFAOYSA-N 0 0 311.790 3.062 20 10 DGCDRN O=C(NCc1c(O)cccc1O)C1(c2cccc(Cl)c2)CC1 ZINC001178910218 1098969284 /nfs/dbraw/zinc/96/92/84/1098969284.db2.gz BJISBMAVUSZADU-UHFFFAOYSA-N 0 0 317.772 3.099 20 10 DGCDRN Cc1ccsc1CCCC(=O)NCc1c(O)cccc1O ZINC001178910933 1098969434 /nfs/dbraw/zinc/96/94/34/1098969434.db2.gz JAYOVYLVJPRAPW-UHFFFAOYSA-N 0 0 305.399 3.107 20 10 DGCDRN C[C@@H](CCc1ccccc1F)C(=O)NCc1c(O)cccc1O ZINC001178912720 1098970380 /nfs/dbraw/zinc/97/03/80/1098970380.db2.gz WZMUVGFYJXRBFC-LBPRGKRZSA-N 0 0 317.360 3.122 20 10 DGCDRN CC(C)(CC(=O)NCc1c(O)cccc1O)c1ccc(F)cc1 ZINC001178917725 1098970987 /nfs/dbraw/zinc/97/09/87/1098970987.db2.gz RAAQDWWOLSKHGS-UHFFFAOYSA-N 0 0 317.360 3.221 20 10 DGCDRN CC(C)(C)c1ccc(C[N@@H+]2CCCC3(C2)OCCO3)c(O)c1 ZINC001235677405 1099120388 /nfs/dbraw/zinc/12/03/88/1099120388.db2.gz DKVBPOGHBNQEDD-UHFFFAOYSA-N 0 0 305.418 3.029 20 10 DGCDRN CC(C)(C)c1ccc(CN2CCO[C@H](C(F)(F)F)C2)c(O)c1 ZINC001235678672 1099122615 /nfs/dbraw/zinc/12/26/15/1099122615.db2.gz KMTDXQXZAIOLDC-AWEZNQCLSA-N 0 0 317.351 3.453 20 10 DGCDRN CN(C)c1ccc(/C=C/c2ccc(NC(=O)CCO)cc2)cc1 ZINC001179576374 1099134622 /nfs/dbraw/zinc/13/46/22/1099134622.db2.gz BVVRAJYZOFCPHS-ONEGZZNKSA-N 0 0 310.397 3.244 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)N[C@@H]2CCCc3cccnc32)cc1 ZINC001180129834 1099308786 /nfs/dbraw/zinc/30/87/86/1099308786.db2.gz JLKGRZUASHBLAB-LVMGUKCRSA-N 0 0 321.424 3.355 20 10 DGCDRN COc1ccc(C)nc1NC(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180123960 1099320857 /nfs/dbraw/zinc/32/08/57/1099320857.db2.gz SZCMYPCMWKZUGN-XYOKQWHBSA-N 0 0 311.385 3.117 20 10 DGCDRN CN(C)c1ccc(/C=C/C(=O)Nc2cc3ccccn3n2)cc1 ZINC001180122874 1099321404 /nfs/dbraw/zinc/32/14/04/1099321404.db2.gz IDXFRUGOBWOUNM-DHZHZOJOSA-N 0 0 306.369 3.052 20 10 DGCDRN CCc1ncsc1NC(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180122626 1099322170 /nfs/dbraw/zinc/32/21/70/1099322170.db2.gz BNHBASJXVJPWSM-JXMROGBWSA-N 0 0 301.415 3.423 20 10 DGCDRN CCN(CC)CC[N@@H+](Cc1cc(F)cc(F)c1[O-])CC(C)C ZINC001180177572 1099324661 /nfs/dbraw/zinc/32/46/61/1099324661.db2.gz CTFRJMYUMQJJAF-UHFFFAOYSA-N 0 0 314.420 3.470 20 10 DGCDRN Cc1cncc(/C=C\C(=O)NCc2cccc(Cl)c2O)c1 ZINC001180410834 1099411269 /nfs/dbraw/zinc/41/12/69/1099411269.db2.gz RJNWGILQBPGCLB-WAYWQWQTSA-N 0 0 302.761 3.079 20 10 DGCDRN CCOc1ccc(CN2CCOc3cc(N(C)C)ccc32)o1 ZINC001180645891 1099481528 /nfs/dbraw/zinc/48/15/28/1099481528.db2.gz GHFZYCIFZZZYJB-UHFFFAOYSA-N 0 0 302.374 3.143 20 10 DGCDRN CN(C)c1cc(F)c(CN2CCOc3ccccc32)cc1F ZINC001180715639 1099488870 /nfs/dbraw/zinc/48/88/70/1099488870.db2.gz DIOFLPMSZGOFSA-UHFFFAOYSA-N 0 0 304.340 3.430 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[NH+]2CCC(F)CC2)c1 ZINC001236664482 1099733140 /nfs/dbraw/zinc/73/31/40/1099733140.db2.gz UTQCZXXDOGDZBN-UHFFFAOYSA-N 0 0 302.187 3.397 20 10 DGCDRN COc1cc(O)c(CN2CCCCC(F)(F)C2)cc1OC ZINC001236751105 1099772618 /nfs/dbraw/zinc/77/26/18/1099772618.db2.gz PHAJPIQHHYCKRS-UHFFFAOYSA-N 0 0 301.333 3.031 20 10 DGCDRN Oc1cc(C[N@@H+]2CCC3(CCC3)C2)c(O)cc1Br ZINC001236770103 1099775949 /nfs/dbraw/zinc/77/59/49/1099775949.db2.gz DNRQOMZMRIPAQG-UHFFFAOYSA-N 0 0 312.207 3.236 20 10 DGCDRN Oc1cc(C[NH+]2CCC(CF)CC2)c(O)cc1Br ZINC001236776467 1099777812 /nfs/dbraw/zinc/77/78/12/1099777812.db2.gz XFUIRWGWGLABML-UHFFFAOYSA-N 0 0 318.186 3.042 20 10 DGCDRN CCc1ccc(CN(C)CC(=O)OCc2ccccc2)c(O)c1 ZINC001236786313 1099783878 /nfs/dbraw/zinc/78/38/78/1099783878.db2.gz ANNVEQHJSPIGPH-UHFFFAOYSA-N 0 0 313.397 3.130 20 10 DGCDRN CCc1ccc(CN2CC(Oc3ccccc3F)C2)c(O)c1 ZINC001236791334 1099787349 /nfs/dbraw/zinc/78/73/49/1099787349.db2.gz GOEPTDTUYGWGCD-UHFFFAOYSA-N 0 0 301.361 3.357 20 10 DGCDRN O=C1CCN(Cc2cc(Cl)c(Cl)cc2O)CC[C@@H]1F ZINC001236794843 1099790295 /nfs/dbraw/zinc/79/02/95/1099790295.db2.gz VQXRMAFFOMUZAQ-NSHDSACASA-N 0 0 306.164 3.202 20 10 DGCDRN [O-]c1cc(Cl)c(Cl)cc1C[N@H+]1CCC[C@@](O)(CF)CC1 ZINC001236794493 1099790724 /nfs/dbraw/zinc/79/07/24/1099790724.db2.gz SFFGYKSWBRAODA-AWEZNQCLSA-N 0 0 322.207 3.386 20 10 DGCDRN CCc1ccc(CN2CC(Oc3ccc(F)c(F)c3)C2)c(O)c1 ZINC001236795277 1099791790 /nfs/dbraw/zinc/79/17/90/1099791790.db2.gz SXHZSJYGWGCCID-UHFFFAOYSA-N 0 0 319.351 3.496 20 10 DGCDRN COc1cc(O)c(CN2CCC(=O)[C@@H]3CCCC[C@H]32)c(Cl)c1 ZINC001236797721 1099791832 /nfs/dbraw/zinc/79/18/32/1099791832.db2.gz INNNKGCCZWUWFW-IUODEOHRSA-N 0 0 323.820 3.388 20 10 DGCDRN COc1cc(O)c(CN2CCC[C@@H]2c2cnccn2)c(Cl)c1 ZINC001236800875 1099794308 /nfs/dbraw/zinc/79/43/08/1099794308.db2.gz BWJGHEYWBFUBPJ-OAHLLOKOSA-N 0 0 319.792 3.181 20 10 DGCDRN CCCN(CC(=O)OCC)Cc1cc(Cl)c(Cl)cc1O ZINC001236799404 1099794643 /nfs/dbraw/zinc/79/46/43/1099794643.db2.gz OGIFBYVTLJWXCK-UHFFFAOYSA-N 0 0 320.216 3.474 20 10 DGCDRN COc1ccc(C[N@H+](C)Cc2cccc(O)c2)c([O-])c1Cl ZINC001236801476 1099797530 /nfs/dbraw/zinc/79/75/30/1099797530.db2.gz JSFORXREYLIPSM-UHFFFAOYSA-N 0 0 307.777 3.392 20 10 DGCDRN COc1ccc(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)c([O-])c1Cl ZINC001236801384 1099797801 /nfs/dbraw/zinc/79/78/01/1099797801.db2.gz IICHUNVCTYOTGF-FZMZJTMJSA-N 0 0 311.809 3.055 20 10 DGCDRN COc1ccc(C[NH+]2CC(c3cccnc3)C2)c([O-])c1Cl ZINC001236805654 1099799594 /nfs/dbraw/zinc/79/95/94/1099799594.db2.gz DFXYYYFVYDHAQY-UHFFFAOYSA-N 0 0 304.777 3.049 20 10 DGCDRN COc1cc(O)c(CN2CCc3ncc(C)cc3C2)c(Cl)c1 ZINC001236806181 1099800196 /nfs/dbraw/zinc/80/01/96/1099800196.db2.gz PKHHNTIQZRYSDJ-UHFFFAOYSA-N 0 0 318.804 3.316 20 10 DGCDRN COc1cc(O)c(CN2CC3(C2)C[C@H](F)CS3)c(Cl)c1 ZINC001236809475 1099800528 /nfs/dbraw/zinc/80/05/28/1099800528.db2.gz VWCPGMVWVVUTTM-VIFPVBQESA-N 0 0 317.813 3.084 20 10 DGCDRN COc1ccc(C[NH+]2CCC3(CCCO3)CC2)c([O-])c1Cl ZINC001236811052 1099800764 /nfs/dbraw/zinc/80/07/64/1099800764.db2.gz FOLVORAHXBIISF-UHFFFAOYSA-N 0 0 311.809 3.199 20 10 DGCDRN COc1cc(O)c(CN(C)Cc2ccc(C)nc2)c(Cl)c1 ZINC001236806837 1099801143 /nfs/dbraw/zinc/80/11/43/1099801143.db2.gz BMIQTZUVAGQIKL-UHFFFAOYSA-N 0 0 306.793 3.390 20 10 DGCDRN Oc1cc2ccccc2cc1CN1CCN(CC(F)(F)F)CC1 ZINC001236830411 1099815592 /nfs/dbraw/zinc/81/55/92/1099815592.db2.gz ACMLPDRSTPNDHT-UHFFFAOYSA-N 0 0 324.346 3.225 20 10 DGCDRN CCOc1ccc(C[N@H+](C)C[C@@H]2Cc3ccccc3O2)c(O)c1 ZINC001237046848 1099942977 /nfs/dbraw/zinc/94/29/77/1099942977.db2.gz HBHFTERYTREYGO-KRWDZBQOSA-N 0 0 313.397 3.226 20 10 DGCDRN CCOc1ccc(CN2CC[C@@H](CF)C(F)(F)C2)c(O)c1 ZINC001237050153 1099943990 /nfs/dbraw/zinc/94/39/90/1099943990.db2.gz QROFWUJTYQHFFM-LBPRGKRZSA-N 0 0 303.324 3.218 20 10 DGCDRN CC(C)c1ccc(CN2CCN(C(=O)C(C)(C)C)CC2)c(O)c1 ZINC001237056310 1099947020 /nfs/dbraw/zinc/94/70/20/1099947020.db2.gz XBIPDAVKHRIDLP-UHFFFAOYSA-N 0 0 318.461 3.206 20 10 DGCDRN Oc1ccc(Cl)c(Cl)c1CN1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001237079628 1099957432 /nfs/dbraw/zinc/95/74/32/1099957432.db2.gz MZBYMKUPOCFYIX-KCJUWKMLSA-N 0 0 324.154 3.165 20 10 DGCDRN [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CCC[C@@](O)(CF)CC1 ZINC001237077417 1099958437 /nfs/dbraw/zinc/95/84/37/1099958437.db2.gz HOBXDBWUFRSKBJ-AWEZNQCLSA-N 0 0 322.207 3.386 20 10 DGCDRN Oc1ccc(Cl)c(Cl)c1CN1CC2(C1)CCCOC2 ZINC001237078067 1099959542 /nfs/dbraw/zinc/95/95/42/1099959542.db2.gz NBUCRRRBWQDZBC-UHFFFAOYSA-N 0 0 302.201 3.311 20 10 DGCDRN CC[NH+](CC)[C@@H]1CCN(Cc2c(O)ccc(F)c2Cl)C1 ZINC001237126699 1099983566 /nfs/dbraw/zinc/98/35/66/1099983566.db2.gz PMGNTJFXSUUIAP-LLVKDONJSA-N 0 0 300.805 3.101 20 10 DGCDRN Oc1ccc(F)c(Cl)c1CN1CC[NH+](C2CCCC2)CC1 ZINC001237125764 1099984397 /nfs/dbraw/zinc/98/43/97/1099984397.db2.gz VRDQPTBNXWMIDA-UHFFFAOYSA-N 0 0 312.816 3.245 20 10 DGCDRN CN(Cc1ccccc1O)Cc1cnccc1Br ZINC001237392832 1100107259 /nfs/dbraw/zinc/10/72/59/1100107259.db2.gz LZXNXEYDAZFWET-UHFFFAOYSA-N 0 0 307.191 3.182 20 10 DGCDRN Cc1nc([C@H]2COCCN2Cc2c(C)cccc2O)cs1 ZINC001237485762 1100139537 /nfs/dbraw/zinc/13/95/37/1100139537.db2.gz LSRGCCVVIVSIAP-OAHLLOKOSA-N 0 0 304.415 3.039 20 10 DGCDRN COC(=O)c1cc(OCC2CC3(CCC3)C2)ccc1N(C)C ZINC001189977586 1100164956 /nfs/dbraw/zinc/16/49/56/1100164956.db2.gz SWOZSJTWBHCTTF-UHFFFAOYSA-N 0 0 303.402 3.498 20 10 DGCDRN COc1ccc(OC)c(CN2CCc3cccc(O)c3C2)c1F ZINC001237582124 1100179135 /nfs/dbraw/zinc/17/91/35/1100179135.db2.gz YIWKJMWLQDVZDQ-UHFFFAOYSA-N 0 0 317.360 3.107 20 10 DGCDRN CC[N@H+](CCN1CCCC1)Cc1cc(Cl)cc(F)c1[O-] ZINC001237621190 1100192233 /nfs/dbraw/zinc/19/22/33/1100192233.db2.gz WJBQSGAUHUKWDL-UHFFFAOYSA-N 0 0 300.805 3.102 20 10 DGCDRN CCOC(=O)CN(C)Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237647053 1100201554 /nfs/dbraw/zinc/20/15/54/1100201554.db2.gz VIHZFRCSMSXMGS-UHFFFAOYSA-N 0 0 317.360 3.193 20 10 DGCDRN CCN(CC(=O)OC)Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237650815 1100202895 /nfs/dbraw/zinc/20/28/95/1100202895.db2.gz VCRWDPQZBQESEC-UHFFFAOYSA-N 0 0 317.360 3.193 20 10 DGCDRN Cc1cc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)cc1Br ZINC001237681196 1100211738 /nfs/dbraw/zinc/21/17/38/1100211738.db2.gz IMMRPDGFQGQBPK-GAFUQQFSSA-N 0 0 314.198 3.395 20 10 DGCDRN COc1cc(C[N@@H+]2CCc3c(F)cccc3C2)c(O)c(OC)c1 ZINC001237682427 1100212256 /nfs/dbraw/zinc/21/22/56/1100212256.db2.gz ZDNVGNPBTCXIFO-UHFFFAOYSA-N 0 0 317.360 3.107 20 10 DGCDRN Cc1cc(Cl)cc(CN2C[C@@H]3C[C@H]2[C@H](C(F)(F)F)O3)c1O ZINC001237686076 1100213678 /nfs/dbraw/zinc/21/36/78/1100213678.db2.gz GOVJFXRYMIIUEO-GMXVVIOVSA-N 0 0 321.726 3.258 20 10 DGCDRN Cc1cc(Cl)cc(CN2CCC[C@H]2c2ncccn2)c1O ZINC001237688271 1100215342 /nfs/dbraw/zinc/21/53/42/1100215342.db2.gz GTKRQZMMKCXTJE-AWEZNQCLSA-N 0 0 303.793 3.481 20 10 DGCDRN Cc1n[nH]c(C)c1-c1ccccc1C(=O)NCc1ccccc1O ZINC001190177603 1100218448 /nfs/dbraw/zinc/21/84/48/1100218448.db2.gz WEKKEIZCRFOWQM-UHFFFAOYSA-N 0 0 321.380 3.329 20 10 DGCDRN CCCC[N@H+](C)Cc1cccc(I)c1[O-] ZINC001237787222 1100246551 /nfs/dbraw/zinc/24/65/51/1100246551.db2.gz RCXNTIBZGOCWQL-UHFFFAOYSA-N 0 0 319.186 3.229 20 10 DGCDRN [O-]c1c(Cl)cc(F)cc1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC001237798433 1100251244 /nfs/dbraw/zinc/25/12/44/1100251244.db2.gz FIDVTLJRLWIPBO-CQSZACIVSA-N 0 0 312.816 3.245 20 10 DGCDRN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CC[C@H](Oc2ccccn2)C1 ZINC001237806078 1100253378 /nfs/dbraw/zinc/25/33/78/1100253378.db2.gz QVWFDVKNEQXTLF-ZDUSSCGKSA-N 0 0 322.767 3.233 20 10 DGCDRN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001237806373 1100254234 /nfs/dbraw/zinc/25/42/34/1100254234.db2.gz VBIRCVAOAJCXQT-ZDUSSCGKSA-N 0 0 321.726 3.185 20 10 DGCDRN Cc1cnc2c(c1)CN(Cc1cc(F)c(Cl)cc1O)CC2 ZINC001237939255 1100298236 /nfs/dbraw/zinc/29/82/36/1100298236.db2.gz AGXOSQBWVLUMAE-UHFFFAOYSA-N 0 0 306.768 3.446 20 10 DGCDRN [O-]c1cc(Cl)c(F)cc1C[NH+]1CCC2(C[C@@H](F)CO2)CC1 ZINC001237950698 1100300714 /nfs/dbraw/zinc/30/07/14/1100300714.db2.gz ZDKLDILEXZWLQB-LLVKDONJSA-N 0 0 317.763 3.278 20 10 DGCDRN Cc1cc(S(=O)(=O)NCc2ccc(N)cc2)c(C)cc1Cl ZINC001238367498 1100426605 /nfs/dbraw/zinc/42/66/05/1100426605.db2.gz OMEVCWJABOHDSC-UHFFFAOYSA-N 0 0 324.833 3.018 20 10 DGCDRN O=S(=O)(CC1CCCC1)Nc1ccc(O)c2ccccc12 ZINC001191526873 1100478885 /nfs/dbraw/zinc/47/88/85/1100478885.db2.gz LVOMYSXCGAXCNM-UHFFFAOYSA-N 0 0 305.399 3.477 20 10 DGCDRN CCOCc1cncc(-c2ccn(Cc3ccccc3)c(=O)c2)c1 ZINC001238938363 1100561041 /nfs/dbraw/zinc/56/10/41/1100561041.db2.gz LFTBAWUAOZXJNK-UHFFFAOYSA-N 0 0 320.392 3.495 20 10 DGCDRN CCOc1cc(C)c(-c2ccn(CC(F)(F)F)c(=O)c2)cn1 ZINC001238978512 1100566939 /nfs/dbraw/zinc/56/69/39/1100566939.db2.gz GTVYMMUQLAAENZ-UHFFFAOYSA-N 0 0 312.291 3.180 20 10 DGCDRN CCC[C@@H]1C[C@H]1C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001278289039 1100589773 /nfs/dbraw/zinc/58/97/73/1100589773.db2.gz TZHCJKAVFGLAPB-RHSMWYFYSA-N 0 0 304.434 3.026 20 10 DGCDRN COc1ncc(-c2ccn(Cc3ccccc3)c(=O)c2)cc1F ZINC001239519290 1100681238 /nfs/dbraw/zinc/68/12/38/1100681238.db2.gz URTPPNCAGQMPQZ-UHFFFAOYSA-N 0 0 310.328 3.106 20 10 DGCDRN COc1cc(C(=O)Nc2cccc3nc(C)ccc32)cc(O)c1O ZINC001193104734 1100706061 /nfs/dbraw/zinc/70/60/61/1100706061.db2.gz QHEMPYILYKUMOS-UHFFFAOYSA-N 0 0 324.336 3.215 20 10 DGCDRN CCCCCOC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC001193763469 1100808334 /nfs/dbraw/zinc/80/83/34/1100808334.db2.gz UFWCENSPRLVJRW-UHFFFAOYSA-N 0 0 320.433 3.282 20 10 DGCDRN Cc1nn(C)cc1-c1ncnc2c1c(C)c(C)n2Cc1ccco1 ZINC001240302084 1100933590 /nfs/dbraw/zinc/93/35/90/1100933590.db2.gz ZWUPWLVGCGMSPB-UHFFFAOYSA-N 0 0 321.384 3.398 20 10 DGCDRN Cc1c(-c2ncnc3c2ccn3Cc2cccc(F)c2)cnn1C ZINC001240379508 1100966213 /nfs/dbraw/zinc/96/62/13/1100966213.db2.gz XMJJWFRKHQVUNF-UHFFFAOYSA-N 0 0 321.359 3.328 20 10 DGCDRN CCN(c1ccccc1)c1cc(-c2cnc3ccnn3c2)ncn1 ZINC001240428789 1100991939 /nfs/dbraw/zinc/99/19/39/1100991939.db2.gz FZPKPFAFIUKVNI-UHFFFAOYSA-N 0 0 316.368 3.344 20 10 DGCDRN CCOc1ncccc1-c1ccn(Cc2cccc(F)c2)c(=O)c1 ZINC001240497959 1101022512 /nfs/dbraw/zinc/02/25/12/1101022512.db2.gz CRMULXNNTRMEQZ-UHFFFAOYSA-N 0 0 324.355 3.496 20 10 DGCDRN O=c1cc(-c2cnn(CC3CC3)c2)ccn1Cc1ccccc1 ZINC001240515183 1101031127 /nfs/dbraw/zinc/03/11/27/1101031127.db2.gz FIIFRVFVMJVLSU-UHFFFAOYSA-N 0 0 305.381 3.170 20 10 DGCDRN COC(=O)c1nc(SC)ncc1-c1ccc2ccn(C)c2c1 ZINC001240574685 1101055453 /nfs/dbraw/zinc/05/54/53/1101055453.db2.gz XYQHRANWXIPTGR-UHFFFAOYSA-N 0 0 313.382 3.144 20 10 DGCDRN O=C(Oc1ccc(F)cc1)N1CCCc2cc(O)c(O)cc2C1 ZINC001195033888 1101055757 /nfs/dbraw/zinc/05/57/57/1101055757.db2.gz XOBSIHFWRIJTBM-UHFFFAOYSA-N 0 0 317.316 3.184 20 10 DGCDRN O=c1cc(-c2cnc(C3CC3)nc2)ccn1Cc1ccccc1F ZINC001240687445 1101097451 /nfs/dbraw/zinc/09/74/51/1101097451.db2.gz UQLPPCNLAWFMDH-UHFFFAOYSA-N 0 0 321.355 3.370 20 10 DGCDRN Cc1coc(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)n1 ZINC001195759554 1101190335 /nfs/dbraw/zinc/19/03/35/1101190335.db2.gz FDOSMGXYCBOFLK-UHFFFAOYSA-N 0 0 307.353 3.412 20 10 DGCDRN Oc1cccc2c1CN(C(=S)Nc1ccccc1F)CC2 ZINC001195769495 1101194908 /nfs/dbraw/zinc/19/49/08/1101194908.db2.gz ADOHIHCBDMRYKL-UHFFFAOYSA-N 0 0 302.374 3.286 20 10 DGCDRN CC(C)(C)C(=O)OCn1ccc2c1ncnc2-c1ccccc1N ZINC001241058204 1101238672 /nfs/dbraw/zinc/23/86/72/1101238672.db2.gz BWAOXWNXJWQZET-UHFFFAOYSA-N 0 0 324.384 3.227 20 10 DGCDRN COC(=O)[C@H](C)c1ncc(C2=CCN(c3ccccc3)CC2)cn1 ZINC001241360436 1101403473 /nfs/dbraw/zinc/40/34/73/1101403473.db2.gz PEVIRLCKAVKPNY-CQSZACIVSA-N 0 0 323.396 3.047 20 10 DGCDRN Oc1ccccc1CNC(=S)NCc1ccccc1Cl ZINC001196836671 1101404171 /nfs/dbraw/zinc/40/41/71/1101404171.db2.gz CGNPGMHAYAYZFR-UHFFFAOYSA-N 0 0 306.818 3.210 20 10 DGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)c2ncc(F)cn2)cc1 ZINC001197210772 1101497631 /nfs/dbraw/zinc/49/76/31/1101497631.db2.gz VVQZNTRLFUGGEM-UHFFFAOYSA-N 0 0 322.343 3.045 20 10 DGCDRN CN(Cc1ccc(O)c(O)c1)Cc1ncccc1C(F)(F)F ZINC001203875546 1101547016 /nfs/dbraw/zinc/54/70/16/1101547016.db2.gz PNEWIEDDAOABIY-UHFFFAOYSA-N 0 0 312.291 3.144 20 10 DGCDRN CCOc1ccnc(CNC(=S)Nc2cccc(F)c2)c1 ZINC001197664906 1101628416 /nfs/dbraw/zinc/62/84/16/1101628416.db2.gz LXIGMBMZKOFFPR-UHFFFAOYSA-N 0 0 305.378 3.106 20 10 DGCDRN CN(c1ccccc1-c1cccc2c1ccn2C)S(C)(=O)=O ZINC001241822072 1101728038 /nfs/dbraw/zinc/72/80/38/1101728038.db2.gz FIJSGQIZZSOLIS-UHFFFAOYSA-N 0 0 314.410 3.241 20 10 DGCDRN Cc1ccc(NC(=S)NCc2cccc(O)c2O)c(C)c1 ZINC001198013991 1101729503 /nfs/dbraw/zinc/72/95/03/1101729503.db2.gz BKFQPRUVTMQFMA-UHFFFAOYSA-N 0 0 302.399 3.201 20 10 DGCDRN CCOC(=O)c1nnc2ccc(-c3cccc4c3ccn4C)cn21 ZINC001241824893 1101730869 /nfs/dbraw/zinc/73/08/69/1101730869.db2.gz ZPGMDWYKWVBSCP-UHFFFAOYSA-N 0 0 320.352 3.065 20 10 DGCDRN COCc1ccccc1NC(=O)N[C@H](C)c1ccccc1O ZINC001198219626 1101782416 /nfs/dbraw/zinc/78/24/16/1101782416.db2.gz ZYMYAWYGUHKAIE-GFCCVEGCSA-N 0 0 300.358 3.421 20 10 DGCDRN COc1ccc(NC(=O)N2Cc3cccc(O)c3C2)cc1F ZINC001198281097 1101801967 /nfs/dbraw/zinc/80/19/67/1101801967.db2.gz QARNUIGOLWUNEA-UHFFFAOYSA-N 0 0 302.305 3.088 20 10 DGCDRN Cc1cc(-c2nccn2C)c(-c2ccc(OCC3CC3)nc2)nn1 ZINC001242214016 1101985724 /nfs/dbraw/zinc/98/57/24/1101985724.db2.gz JXAIJZFNIPCBJA-UHFFFAOYSA-N 0 0 321.384 3.036 20 10 DGCDRN CCC(=O)Nc1cccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])c1 ZINC001199353879 1102113442 /nfs/dbraw/zinc/11/34/42/1102113442.db2.gz LOLIVSSOEVHSOK-UHFFFAOYSA-N 0 0 320.339 3.309 20 10 DGCDRN CC(C)Oc1cccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC001199391339 1102119537 /nfs/dbraw/zinc/11/95/37/1102119537.db2.gz GOUNRCLPRPSEPE-UHFFFAOYSA-N 0 0 316.357 3.377 20 10 DGCDRN Cn1c(=O)ccc2ccc(-c3ccc(OC(F)F)nc3)cc21 ZINC001242421928 1102121881 /nfs/dbraw/zinc/12/18/81/1102121881.db2.gz AXXXAXYTDODXFX-UHFFFAOYSA-N 0 0 302.280 3.202 20 10 DGCDRN COCCCn1cc(-c2ccc(-n3c(C)ccc3C)nc2)cn1 ZINC001242488519 1102165087 /nfs/dbraw/zinc/16/50/87/1102165087.db2.gz NCDBVEXSOKMLPY-UHFFFAOYSA-N 0 0 310.401 3.389 20 10 DGCDRN Cn1c(=O)cc(-c2cncc(N3CCCC3)c2)c2ccccc21 ZINC001242622576 1102247927 /nfs/dbraw/zinc/24/79/27/1102247927.db2.gz FEUJIEAKDAJOJD-UHFFFAOYSA-N 0 0 305.381 3.201 20 10 DGCDRN O=c1cc(-c2ccc(OC(F)(F)F)nc2)ccn1CC1CC1 ZINC001242780116 1102337944 /nfs/dbraw/zinc/33/79/44/1102337944.db2.gz ARTNQYNNIUBPRB-UHFFFAOYSA-N 0 0 310.275 3.219 20 10 DGCDRN Cn1c(=O)ccc2ccc(-c3ccc(OC(F)(F)F)nc3)cc21 ZINC001242780784 1102339591 /nfs/dbraw/zinc/33/95/91/1102339591.db2.gz NBRIOILAZPATLM-UHFFFAOYSA-N 0 0 320.270 3.499 20 10 DGCDRN COCc1cncc(-c2cc(N3CCc4ccccc43)ncn2)c1 ZINC001242953617 1102438462 /nfs/dbraw/zinc/43/84/62/1102438462.db2.gz XWJBEFNSYGTRAG-UHFFFAOYSA-N 0 0 318.380 3.379 20 10 DGCDRN CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001200961784 1102446708 /nfs/dbraw/zinc/44/67/08/1102446708.db2.gz ZGGGQPPCYVZSQA-DZGCQCFKSA-N 0 0 310.419 3.454 20 10 DGCDRN Cn1c2cc(-c3cc(C(F)(F)F)ccc3N)ccc2ncc1=O ZINC001243005667 1102469413 /nfs/dbraw/zinc/46/94/13/1102469413.db2.gz ADPZWURABQAZOC-UHFFFAOYSA-N 0 0 319.286 3.202 20 10 DGCDRN Cc1cc(NC(=S)NCc2cccc3ccnn32)ccc1F ZINC001201044784 1102482394 /nfs/dbraw/zinc/48/23/94/1102482394.db2.gz JKHACTAXVBDQNP-UHFFFAOYSA-N 0 0 314.389 3.268 20 10 DGCDRN CCOc1ccnc(CNC(=S)Nc2ccc(F)c(C)c2)c1 ZINC001201050015 1102483864 /nfs/dbraw/zinc/48/38/64/1102483864.db2.gz WUDRPUVLNPWSSM-UHFFFAOYSA-N 0 0 319.405 3.414 20 10 DGCDRN CCc1ccccc1NC(=S)NCc1ccc(O)cc1O ZINC001201153571 1102502219 /nfs/dbraw/zinc/50/22/19/1102502219.db2.gz XTJNXRBAOAXOQZ-UHFFFAOYSA-N 0 0 302.399 3.147 20 10 DGCDRN COc1ccnc(CNC(=S)Nc2ccc(SC)cc2)c1 ZINC001201194033 1102515072 /nfs/dbraw/zinc/51/50/72/1102515072.db2.gz DEYBHMFFOWZVEU-UHFFFAOYSA-N 0 0 319.455 3.299 20 10 DGCDRN O=c1cc(-c2cccnc2C2CC2)ccn1Cc1ccccn1 ZINC001243690413 1102918294 /nfs/dbraw/zinc/91/82/94/1102918294.db2.gz FFWCVNQQWREIOK-UHFFFAOYSA-N 0 0 303.365 3.231 20 10 DGCDRN CCN(CC)C(=O)c1ccc(-c2ccnc3c2ccn3C)cn1 ZINC001243771332 1102970116 /nfs/dbraw/zinc/97/01/16/1102970116.db2.gz ZGHKISTUMRHELO-UHFFFAOYSA-N 0 0 308.385 3.117 20 10 DGCDRN C[C@@H]1C[C@H](C[NH2+]Cc2cccc(Br)c2[O-])[C@@H](C)O1 ZINC000686514130 1103048543 /nfs/dbraw/zinc/04/85/43/1103048543.db2.gz XMLMVTDIUWWHNG-CKYFFXLPSA-N 0 0 314.223 3.058 20 10 DGCDRN Oc1ccc(Cl)cc1CN1CCO[C@H](C(F)(F)F)CC1 ZINC000687289371 1103092013 /nfs/dbraw/zinc/09/20/13/1103092013.db2.gz SAEQVYGQVDMKBQ-LBPRGKRZSA-N 0 0 309.715 3.199 20 10 DGCDRN CC(=O)Nc1ccc(NCc2c(O)ccc(Cl)c2F)nc1 ZINC001326248751 1103246203 /nfs/dbraw/zinc/24/62/03/1103246203.db2.gz KXHOHHGFLJYJBH-UHFFFAOYSA-N 0 0 309.728 3.150 20 10 DGCDRN O=C(Nc1cccc(N2CCCC2)c1)c1ccc2nonc2c1 ZINC001326341228 1103281865 /nfs/dbraw/zinc/28/18/65/1103281865.db2.gz YVILVCXAZZLONQ-UHFFFAOYSA-N 0 0 308.341 3.075 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C=C/C=C(Cl)Cl)c1 ZINC001545684264 1103364083 /nfs/dbraw/zinc/36/40/83/1103364083.db2.gz QDBIBKGTRACJBF-HYYFJVDXSA-N 0 0 316.184 3.453 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C=C\C=C(Cl)Cl)c1 ZINC001545684263 1103365221 /nfs/dbraw/zinc/36/52/21/1103365221.db2.gz QDBIBKGTRACJBF-AZVKUDOFSA-N 0 0 316.184 3.453 20 10 DGCDRN CC(=O)Nc1nc2ccc(Nc3cccc(O)c3O)cc2s1 ZINC001212941469 1103373739 /nfs/dbraw/zinc/37/37/39/1103373739.db2.gz FHQZYVCCJCHIGZ-UHFFFAOYSA-N 0 0 315.354 3.410 20 10 DGCDRN Cc1cc(-c2nnc([C@@H]3CCO[C@@H]3C)o2)c(C)n1-c1ccccn1 ZINC001327071505 1103513518 /nfs/dbraw/zinc/51/35/18/1103513518.db2.gz NHCWQFQHUQINAP-ZIAGYGMSSA-N 0 0 324.384 3.432 20 10 DGCDRN Cc1cc([C@H](C)NC(=O)NCCc2ccc(N)cc2)c(C)o1 ZINC001327471672 1103653447 /nfs/dbraw/zinc/65/34/47/1103653447.db2.gz XYNCKHCQAUPDFT-LBPRGKRZSA-N 0 0 301.390 3.082 20 10 DGCDRN CO[C@H](CSc1ncc(-c2ccccc2)n1C)[C@H]1CCOC1 ZINC001327518609 1103670870 /nfs/dbraw/zinc/67/08/70/1103670870.db2.gz RZXFTMDQSOILSF-GOEBONIOSA-N 0 0 318.442 3.231 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)OC[C@@H](C)O)c1 ZINC001327717580 1103714746 /nfs/dbraw/zinc/71/47/46/1103714746.db2.gz XGBIYNDRGBWAGO-GFCCVEGCSA-N 0 0 307.777 3.285 20 10 DGCDRN CCN(c1ccccc1)c1cc(-c2cnc(OC)c(O)c2)ncn1 ZINC001244844576 1103716011 /nfs/dbraw/zinc/71/60/11/1103716011.db2.gz RHBNELZJIKJYAI-UHFFFAOYSA-N 0 0 322.368 3.411 20 10 DGCDRN COCCn1ccc2c1ncnc2-c1cc(C)cnc1SC ZINC001244878773 1103738482 /nfs/dbraw/zinc/73/84/82/1103738482.db2.gz QCEJXLNGNNNFPP-UHFFFAOYSA-N 0 0 314.414 3.170 20 10 DGCDRN C[C@H](NC(=O)NC1CC2(CC2(F)F)C1)c1ccc(N(C)C)cc1 ZINC001327896235 1103758500 /nfs/dbraw/zinc/75/85/00/1103758500.db2.gz BSWMLDDYEITSSI-XOMBGVMMSA-N 0 0 323.387 3.301 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)/C=C(\C)CC)CC2)cc1 ZINC001327983120 1103793356 /nfs/dbraw/zinc/79/33/56/1103793356.db2.gz OEHGTKRPTAVOPH-CCEZHUSRSA-N 0 0 302.418 3.090 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001328161472 1103862452 /nfs/dbraw/zinc/86/24/52/1103862452.db2.gz RVRURILYKLPBOJ-CWRNSKLLSA-N 0 0 301.434 3.049 20 10 DGCDRN Cc1cc(O)c(CN2CCc3cc(Cl)nnc3C2)cc1Cl ZINC001328208662 1103873085 /nfs/dbraw/zinc/87/30/85/1103873085.db2.gz HGHXCEBUGUJQLG-UHFFFAOYSA-N 0 0 324.211 3.356 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC2CC(C)C2)c1 ZINC001137213651 1104153513 /nfs/dbraw/zinc/15/35/13/1104153513.db2.gz MTXFBUVXPOWHMS-UHFFFAOYSA-N 0 0 310.397 3.435 20 10 DGCDRN C1=CC(c2ccc(-c3ccc(-c4ncco4)cc3)nn2)=S=C1 ZINC001245618844 1104155404 /nfs/dbraw/zinc/15/54/04/1104155404.db2.gz QJUBBFABCBHTCZ-UHFFFAOYSA-N 0 0 305.362 3.424 20 10 DGCDRN CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2c1ccc(OC)cc1 ZINC001274790816 1104490530 /nfs/dbraw/zinc/49/05/30/1104490530.db2.gz LZWOOJNHGICPPC-KBRIMQKVSA-N 0 0 302.418 3.063 20 10 DGCDRN CC[C@@H](C)N1CC[C@@]2(CCN(c3ccc(OC)c(F)c3)C2)C1=O ZINC001274861147 1104524236 /nfs/dbraw/zinc/52/42/36/1104524236.db2.gz GRKBIXFGJNCCHN-FZKQIMNGSA-N 0 0 320.408 3.062 20 10 DGCDRN COc1ccc(N2CCC[C@@]23CCN(CC(C)C)C3=O)c(C)c1 ZINC001274874655 1104526023 /nfs/dbraw/zinc/52/60/23/1104526023.db2.gz ZHMWBVJKFOKLGO-IBGZPJMESA-N 0 0 316.445 3.231 20 10 DGCDRN Cc1ccc(CC[C@@H](C)NC(=O)N2Cc3cccc(O)c3C2)o1 ZINC001330726188 1104632602 /nfs/dbraw/zinc/63/26/02/1104632602.db2.gz ORVNIDUJTNXEHM-GFCCVEGCSA-N 0 0 314.385 3.340 20 10 DGCDRN Cc1[nH]c2ccccc2c1CC(=O)N1Cc2cccc(O)c2C1 ZINC001302787480 1104709596 /nfs/dbraw/zinc/70/95/96/1104709596.db2.gz NMTAGJAPMUHYFO-UHFFFAOYSA-N 0 0 306.365 3.267 20 10 DGCDRN CCOC(=O)[C@@]1(C)CCCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001138123925 1105001809 /nfs/dbraw/zinc/00/18/09/1105001809.db2.gz RUHWYESBKYEFOP-KRWDZBQOSA-N 0 0 309.381 3.087 20 10 DGCDRN Oc1ccc(Cc2nc(-c3cccc4ccoc43)no2)cc1O ZINC001247959798 1105021384 /nfs/dbraw/zinc/02/13/84/1105021384.db2.gz YAGVFHLTGQLTBH-UHFFFAOYSA-N 0 0 308.293 3.485 20 10 DGCDRN Oc1ccc(Cc2nc(-c3cccc(OC4CC4)c3)no2)cc1O ZINC001247959779 1105021543 /nfs/dbraw/zinc/02/15/43/1105021543.db2.gz XHQVFGUBIHIDOJ-UHFFFAOYSA-N 0 0 324.336 3.280 20 10 DGCDRN Oc1ccc(/C=C/c2nc(-c3ccc4c(c3)OCO4)no2)cc1O ZINC001247982438 1105027849 /nfs/dbraw/zinc/02/78/49/1105027849.db2.gz OIVQZFLCUXWPAX-QHHAFSJGSA-N 0 0 324.292 3.047 20 10 DGCDRN Nc1ccc(Cc2nc(-c3ccc4ccncc4c3)no2)cc1 ZINC001248184445 1105062967 /nfs/dbraw/zinc/06/29/67/1105062967.db2.gz VGRGWWPCAZNDIQ-UHFFFAOYSA-N 0 0 302.337 3.458 20 10 DGCDRN Cn1ccc2cc(-c3noc(Cc4ccc(N)cc4)n3)ccc21 ZINC001248188386 1105063261 /nfs/dbraw/zinc/06/32/61/1105063261.db2.gz VVXJTPHFOCSYHI-UHFFFAOYSA-N 0 0 304.353 3.401 20 10 DGCDRN Fc1ccc(F)c(NC(=S)NCc2cccc(Cl)n2)c1 ZINC001248614895 1105136556 /nfs/dbraw/zinc/13/65/56/1105136556.db2.gz SUIOGDMSWUVFKD-UHFFFAOYSA-N 0 0 313.760 3.500 20 10 DGCDRN Cc1cc(F)cc(-c2noc(CCc3ccc(O)c(O)c3)n2)c1 ZINC001248984345 1105209790 /nfs/dbraw/zinc/20/97/90/1105209790.db2.gz OWVXHOZIMDPOSL-UHFFFAOYSA-N 0 0 314.316 3.381 20 10 DGCDRN Nc1ccc(N(c2ccc(N)cc2)c2ccc3nncn3c2)cc1 ZINC001250010469 1105426675 /nfs/dbraw/zinc/42/66/75/1105426675.db2.gz NGYJQALCXKQNMW-UHFFFAOYSA-N 0 0 316.368 3.364 20 10 DGCDRN CCOc1cc(CN2CCc3cccc(O)c3C2)c(Cl)cn1 ZINC001250318223 1105497413 /nfs/dbraw/zinc/49/74/13/1105497413.db2.gz BKBPBZAPASWZII-UHFFFAOYSA-N 0 0 318.804 3.398 20 10 DGCDRN Cc1cc(N2CCOCC2)ccc1CCC(=O)OC(C)(C)C ZINC001250329693 1105500394 /nfs/dbraw/zinc/50/03/94/1105500394.db2.gz ACNQXFAFXUWWBG-UHFFFAOYSA-N 0 0 305.418 3.106 20 10 DGCDRN Oc1cc2c(cc1O)CN(Cc1ccc(Cl)nc1F)CCC2 ZINC001137478748 1105529023 /nfs/dbraw/zinc/52/90/23/1105529023.db2.gz STWQMFVRVZVDLA-UHFFFAOYSA-N 0 0 322.767 3.234 20 10 DGCDRN Oc1cc(-c2nc3ccc(F)c(F)c3n2C2CC2)cc(O)c1O ZINC001251248391 1105643973 /nfs/dbraw/zinc/64/39/73/1105643973.db2.gz ONJGHJPAZCBFGB-UHFFFAOYSA-N 0 0 318.279 3.433 20 10 DGCDRN CCCC[C@H](O)CNc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001252078677 1105734166 /nfs/dbraw/zinc/73/41/66/1105734166.db2.gz XKHFEZQMFFHBBE-AWEZNQCLSA-N 0 0 323.392 3.425 20 10 DGCDRN C[C@@H](NS(=O)(=O)/C=C/c1ccccc1)c1ccccc1O ZINC001253072684 1105884517 /nfs/dbraw/zinc/88/45/17/1105884517.db2.gz ZHCOERGJQYGXEH-XZHRJIJLSA-N 0 0 303.383 3.044 20 10 DGCDRN COc1cc(/C=C/c2nnc(Cc3ccccc3)o2)cc(O)c1O ZINC001253556607 1105957470 /nfs/dbraw/zinc/95/74/70/1105957470.db2.gz XZCXUUGENNULEL-BQYQJAHWSA-N 0 0 324.336 3.251 20 10 DGCDRN Oc1ccc(Cc2nnc([C@H]3C[C@H]3c3ccccc3)o2)cc1O ZINC001254568146 1106105686 /nfs/dbraw/zinc/10/56/86/1106105686.db2.gz MSPLXNODQHFGFE-KBPBESRZSA-N 0 0 308.337 3.343 20 10 DGCDRN O=C(N[C@H]1CCCc2ccccc2C1)N1Cc2cccc(O)c2C1 ZINC001256003275 1106355368 /nfs/dbraw/zinc/35/53/68/1106355368.db2.gz YDDNPXKOMBLZPO-KRWDZBQOSA-N 0 0 322.408 3.365 20 10 DGCDRN COc1ccc(CNC(=O)NC[C@H]2C[C@@H]2C2CCCC2)c(O)c1 ZINC001256435443 1106422528 /nfs/dbraw/zinc/42/25/28/1106422528.db2.gz FVSLAOYOLZMWCM-GDBMZVCRSA-N 0 0 318.417 3.026 20 10 DGCDRN Cc1cc(Cc2nnc(-c3ccc(-n4cccc4)cc3)o2)on1 ZINC001256930757 1106513856 /nfs/dbraw/zinc/51/38/56/1106513856.db2.gz LIJSLQGHUKDDNX-UHFFFAOYSA-N 0 0 306.325 3.415 20 10 DGCDRN CC(=O)N[C@@H](c1nnc(-c2ccc(-n3cccc3)cc2)o1)C(C)C ZINC001256935462 1106513861 /nfs/dbraw/zinc/51/38/61/1106513861.db2.gz LXFJYVRHGSCTFT-MRXNPFEDSA-N 0 0 324.384 3.361 20 10 DGCDRN c1ccn(-c2ccc(-c3nnc(CC[C@H]4CCOC4)o3)cc2)c1 ZINC001256935171 1106513992 /nfs/dbraw/zinc/51/39/92/1106513992.db2.gz FUZMOOFNMKVQCV-AWEZNQCLSA-N 0 0 309.369 3.496 20 10 DGCDRN CCCCC(=O)NCc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256965582 1106517858 /nfs/dbraw/zinc/51/78/58/1106517858.db2.gz FLBRSBBWUQJDDT-UHFFFAOYSA-N 0 0 324.384 3.334 20 10 DGCDRN CCn1ccnc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256978943 1106520519 /nfs/dbraw/zinc/52/05/19/1106520519.db2.gz YNYDXKQMEKXWLE-UHFFFAOYSA-N 0 0 305.341 3.411 20 10 DGCDRN OCc1nc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)cs1 ZINC001256981027 1106520536 /nfs/dbraw/zinc/52/05/36/1106520536.db2.gz IIRRPNLZJKOVQN-UHFFFAOYSA-N 0 0 324.365 3.143 20 10 DGCDRN Fc1cnc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)nc1 ZINC001256982286 1106521011 /nfs/dbraw/zinc/52/10/11/1106521011.db2.gz ZPPBLHGZQJQTEM-UHFFFAOYSA-N 0 0 307.288 3.123 20 10 DGCDRN CN(C)c1ccc([C@@H](O)c2nnc(CC3CCCCC3)o2)cc1 ZINC001257039580 1106528290 /nfs/dbraw/zinc/52/82/90/1106528290.db2.gz GQTGFRALGRXKOT-QGZVFWFLSA-N 0 0 315.417 3.340 20 10 DGCDRN CCOC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC001320481829 1107018911 /nfs/dbraw/zinc/01/89/11/1107018911.db2.gz ZVCWOZYZIUTMPT-GFCCVEGCSA-N 0 0 315.772 3.102 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CC3CCC2CC3)c([N+](=O)[O-])c1 ZINC001320558008 1107053426 /nfs/dbraw/zinc/05/34/26/1107053426.db2.gz UEEDBBJIPKIECC-UITAMQMPSA-N 0 0 316.357 3.160 20 10 DGCDRN CN(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001320640538 1107084535 /nfs/dbraw/zinc/08/45/35/1107084535.db2.gz SJSVFOCVXOSFKO-ZIAGYGMSSA-N 0 0 300.805 3.147 20 10 DGCDRN Cc1ccc(S(=O)(=O)Nc2ccc(O)c(F)c2F)cc1C ZINC001259167124 1107088091 /nfs/dbraw/zinc/08/80/91/1107088091.db2.gz YHXOJVPISBXCTB-UHFFFAOYSA-N 0 0 313.325 3.088 20 10 DGCDRN O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(O)cc1F ZINC001259241113 1107103764 /nfs/dbraw/zinc/10/37/64/1107103764.db2.gz WFIDXNQTNIORNK-UHFFFAOYSA-N 0 0 315.753 3.127 20 10 DGCDRN Cc1cc(NS(=O)(=O)Cc2ccc(Cl)cc2)ccc1O ZINC001259240791 1107104169 /nfs/dbraw/zinc/10/41/69/1107104169.db2.gz IUWOJNSGCRTESO-UHFFFAOYSA-N 0 0 311.790 3.296 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)c1cc(Cl)ccc1Cl ZINC001299571558 1107116306 /nfs/dbraw/zinc/11/63/06/1107116306.db2.gz YZLXILXAXNLMCL-UHFFFAOYSA-N 0 0 312.152 3.335 20 10 DGCDRN Cc1cc(C)cc(S(=O)(=O)Nc2cccc(N(C)C)c2)c1 ZINC001259524513 1107160042 /nfs/dbraw/zinc/16/00/42/1107160042.db2.gz VVCFSMKCGLYYPD-UHFFFAOYSA-N 0 0 304.415 3.170 20 10 DGCDRN Cc1cc(O)cc(C)c1NS(=O)(=O)CCc1ccccc1F ZINC001259786559 1107198953 /nfs/dbraw/zinc/19/89/53/1107198953.db2.gz BNDSDQYVJLSTSO-UHFFFAOYSA-N 0 0 323.389 3.133 20 10 DGCDRN Cc1ccc(/N=N/c2ccc(C)c(NS(N)(=O)=O)c2)cc1 ZINC001260080489 1107248562 /nfs/dbraw/zinc/24/85/62/1107248562.db2.gz FRDXKLUEYDBCQA-WUKNDPDISA-N 0 0 304.375 3.334 20 10 DGCDRN C/C=C\C[C@H](NCc1ccc(N2CCCC2)cc1)C(=O)OCC ZINC001321148874 1107265595 /nfs/dbraw/zinc/26/55/95/1107265595.db2.gz ODSVVDOWVSGNEF-AJNOYIKESA-N 0 0 316.445 3.274 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@H](OC)C1 ZINC001321309243 1107318509 /nfs/dbraw/zinc/31/85/09/1107318509.db2.gz BYPBXYFXXVCCJV-CVEARBPZSA-N 0 0 320.433 3.271 20 10 DGCDRN C[C@@H](NCc1ccc(N2CCCC2)cc1)C(=O)OC(C)(C)C ZINC001261667200 1107500793 /nfs/dbraw/zinc/50/07/93/1107500793.db2.gz OVOCPCSNNCQDIW-CQSZACIVSA-N 0 0 304.434 3.107 20 10 DGCDRN Cc1cc(-c2nnc(Cn3cccn3)o2)c(C)n1-c1ccccc1 ZINC001322283039 1107608505 /nfs/dbraw/zinc/60/85/05/1107608505.db2.gz HUEFLOFRBWRUEQ-UHFFFAOYSA-N 0 0 319.368 3.389 20 10 DGCDRN COc1cccc(F)c1CNCc1ccc(N(C)C)c(F)c1 ZINC001262367453 1107697581 /nfs/dbraw/zinc/69/75/81/1107697581.db2.gz VBRSCMPIRCNZTF-UHFFFAOYSA-N 0 0 306.356 3.329 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC[C@@H]2CO)cc1 ZINC001322613474 1107716057 /nfs/dbraw/zinc/71/60/57/1107716057.db2.gz GPZCXLXTQIKYAO-GOSISDBHSA-N 0 0 312.413 3.081 20 10 DGCDRN Nc1ccc(CNC(=O)N2CCCCC[C@H]2c2ccncc2)cc1 ZINC001262603334 1107736363 /nfs/dbraw/zinc/73/63/63/1107736363.db2.gz FNJLKBJYYMYAFG-SFHVURJKSA-N 0 0 324.428 3.491 20 10 DGCDRN CC[C@H](F)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC001262605540 1107736696 /nfs/dbraw/zinc/73/66/96/1107736696.db2.gz CXJWTAQNCQVXOS-SJORKVTESA-N 0 0 322.424 3.008 20 10 DGCDRN CCOc1ccc(N2CCN(C(=O)[C@@H]3CC=CCC3)CC2)cc1 ZINC001322869254 1107772652 /nfs/dbraw/zinc/77/26/52/1107772652.db2.gz NHAFAVZMDDRSJM-MRXNPFEDSA-N 0 0 314.429 3.090 20 10 DGCDRN CN(C)c1ccc(CN2Cc3ccc([N+](=O)[O-])cc3C2)cc1F ZINC001323320501 1107933801 /nfs/dbraw/zinc/93/38/01/1107933801.db2.gz BHODKBKJERBDRK-UHFFFAOYSA-N 0 0 315.348 3.316 20 10 DGCDRN CCc1cncc(C(=O)Nc2c3nonc3ccc2Cl)c1 ZINC001323417706 1107968562 /nfs/dbraw/zinc/96/85/62/1107968562.db2.gz IPOHZYKTOLJPRR-UHFFFAOYSA-N 0 0 302.721 3.086 20 10 DGCDRN Cc1cncc(/C=C\C(=O)Nc2c3nonc3ccc2Cl)c1 ZINC001323420839 1107969573 /nfs/dbraw/zinc/96/95/73/1107969573.db2.gz ZEDLYWRTIMVNDO-DJWKRKHSSA-N 0 0 314.732 3.232 20 10 DGCDRN C[C@H](NC(=O)c1csc(Cc2ccc(N)cc2)n1)C1CCC1 ZINC001263273454 1107992392 /nfs/dbraw/zinc/99/23/92/1107992392.db2.gz CWFABFKQXSZEBK-NSHDSACASA-N 0 0 315.442 3.235 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC/C=C/C1CC1 ZINC001324696284 1108430175 /nfs/dbraw/zinc/43/01/75/1108430175.db2.gz QYCCBDYDVAISJY-AATRIKPKSA-N 0 0 301.434 3.250 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)CCNc2ccccc2)c1 ZINC001319674481 1108588446 /nfs/dbraw/zinc/58/84/46/1108588446.db2.gz BKMDPNMKUCZEER-ZDUSSCGKSA-N 0 0 314.385 3.080 20 10 DGCDRN C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC001325357010 1108630687 /nfs/dbraw/zinc/63/06/87/1108630687.db2.gz NGSWMWPVZHEFOO-ZJUUUORDSA-N 0 0 315.360 3.441 20 10 DGCDRN CC[C@@H]1c2ccsc2CCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001290847740 1110261217 /nfs/dbraw/zinc/26/12/17/1110261217.db2.gz HJOMBAIGPCARDG-CYBMUJFWSA-N 0 0 317.410 3.238 20 10 DGCDRN Cc1cc(CNC(=O)c2cnc(C)[nH]2)c(C)n1-c1ccccc1 ZINC001302263932 1111110422 /nfs/dbraw/zinc/11/04/22/1111110422.db2.gz ZKRRBVNCDDDBCE-UHFFFAOYSA-N 0 0 308.385 3.056 20 10 DGCDRN C[C@H](NC(=O)CSc1ccc(O)cc1)c1ccccc1O ZINC001302538555 1111117229 /nfs/dbraw/zinc/11/72/29/1111117229.db2.gz VBWOVUUJXYHMKG-NSHDSACASA-N 0 0 303.383 3.067 20 10 DGCDRN C[C@H](NC(=O)c1ccc(Br)o1)c1ccccc1O ZINC001302532440 1111117378 /nfs/dbraw/zinc/11/73/78/1111117378.db2.gz CFGGRYBBHFCCJK-QMMMGPOBSA-N 0 0 310.147 3.239 20 10 DGCDRN CC(C)COc1ncccc1C(=O)N[C@H](C)c1ccccc1O ZINC001302530733 1111117449 /nfs/dbraw/zinc/11/74/49/1111117449.db2.gz YAAASEHIWLXBHV-CYBMUJFWSA-N 0 0 314.385 3.313 20 10 DGCDRN CCc1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1[N+](=O)[O-] ZINC001302787574 1111125542 /nfs/dbraw/zinc/12/55/42/1111125542.db2.gz PIJXWGOYXMBYPN-UHFFFAOYSA-N 0 0 312.325 3.019 20 10 DGCDRN C/C(=C/C(=O)NCc1cc(O)ccc1O)c1cccc(Cl)c1 ZINC001303225426 1111137498 /nfs/dbraw/zinc/13/74/98/1111137498.db2.gz HUEZLHJURORMTO-XFFZJAGNSA-N 0 0 317.772 3.471 20 10 DGCDRN Cc1nnc(N2CC[C@H](C)C2)n1CCCSc1nccs1 ZINC001304817070 1111184651 /nfs/dbraw/zinc/18/46/51/1111184651.db2.gz ITBOQPWLDGBKAD-NSHDSACASA-N 0 0 323.491 3.072 20 10 DGCDRN C[C@@H]1C[C@@H]1Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O ZINC001304952952 1111189469 /nfs/dbraw/zinc/18/94/69/1111189469.db2.gz XCNHOVISQOKBLL-IUODEOHRSA-N 0 0 312.417 3.154 20 10 DGCDRN C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(Cl)c1O ZINC001305070046 1111192921 /nfs/dbraw/zinc/19/29/21/1111192921.db2.gz XGVCTFDLQPBXBK-SNVBAGLBSA-N 0 0 323.751 3.268 20 10 DGCDRN O=C(CCOc1ccc(F)cc1)NCc1cccc(Cl)c1O ZINC001305069466 1111192992 /nfs/dbraw/zinc/19/29/92/1111192992.db2.gz GBSZKDZLFYVCIZ-UHFFFAOYSA-N 0 0 323.751 3.270 20 10 DGCDRN CCOC(=O)[C@H](CC)N(Cc1ccc(N(C)CC)cc1)C1CC1 ZINC001307695940 1111328060 /nfs/dbraw/zinc/32/80/60/1111328060.db2.gz SQFMYNNFFXJXTA-SFHVURJKSA-N 0 0 318.461 3.449 20 10 DGCDRN CN(C)c1ccc(/C=C/CNc2cnn(-c3ccccn3)c2)cc1 ZINC001308333618 1111417662 /nfs/dbraw/zinc/41/76/62/1111417662.db2.gz LPNSJMWCRYNRGV-AATRIKPKSA-N 0 0 319.412 3.459 20 10 DGCDRN CCC(CC)[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCO1 ZINC001308351913 1111420123 /nfs/dbraw/zinc/42/01/23/1111420123.db2.gz ABSDOULWHPOBRW-YOEHRIQHSA-N 0 0 322.405 3.374 20 10 DGCDRN CNC(=O)c1ccc(NC/C=C\c2ccc(N(C)C)cc2)cc1 ZINC001308385158 1111424276 /nfs/dbraw/zinc/42/42/76/1111424276.db2.gz KKYFNJJHHKLDIV-PLNGDYQASA-N 0 0 309.413 3.238 20 10 DGCDRN Oc1cc(F)c(F)cc1CN1CCC=C(Br)C1 ZINC001308717445 1111465014 /nfs/dbraw/zinc/46/50/14/1111465014.db2.gz FHTLIJZNKWCCTO-UHFFFAOYSA-N 0 0 304.134 3.155 20 10 DGCDRN C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1cccc(Br)c1[O-] ZINC001308741896 1111468572 /nfs/dbraw/zinc/46/85/72/1111468572.db2.gz KOHQXWQGHDJOGY-WDEREUQCSA-N 0 0 314.223 3.059 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC001308791757 1111475512 /nfs/dbraw/zinc/47/55/12/1111475512.db2.gz HDONVROJVITEHY-CVEARBPZSA-N 0 0 309.356 3.204 20 10 DGCDRN CCCNC(=O)c1ccc(NCc2cc(F)ccc2O)cc1 ZINC001308846050 1111483630 /nfs/dbraw/zinc/48/36/30/1111483630.db2.gz YJIIOXJXLQOZQZ-UHFFFAOYSA-N 0 0 302.349 3.283 20 10 DGCDRN C[C@]1(C[NH2+]Cc2cc(F)c(F)cc2[O-])CCOC2(CCC2)C1 ZINC001308946132 1111497698 /nfs/dbraw/zinc/49/76/98/1111497698.db2.gz LAUDRKGHRWUUJH-INIZCTEOSA-N 0 0 311.372 3.499 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC1(Br)CC1 ZINC001308965465 1111501644 /nfs/dbraw/zinc/50/16/44/1111501644.db2.gz PEZKORHJEWYGFI-UHFFFAOYSA-N 0 0 308.578 3.202 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)Nc1cccc2c1CCO2 ZINC001310673733 1111567942 /nfs/dbraw/zinc/56/79/42/1111567942.db2.gz DOPOLTIEYMUWLM-UHFFFAOYSA-N 0 0 318.760 3.302 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Nc2cnc(F)c(Cl)c2)c1 ZINC001311239969 1111591587 /nfs/dbraw/zinc/59/15/87/1111591587.db2.gz WVOUDOHCYHBJOT-UHFFFAOYSA-N 0 0 309.728 3.210 20 10 DGCDRN COc1ccc([C@H](C)NC(=O)NCc2c(O)cccc2F)cc1 ZINC001311738674 1111616855 /nfs/dbraw/zinc/61/68/55/1111616855.db2.gz PKGIILMWJBCRJR-NSHDSACASA-N 0 0 318.348 3.100 20 10 DGCDRN CCC1(CC)[C@@H](NC(=O)N[C@@H](C)c2ccccc2O)C[C@@H]1OC ZINC001312347037 1111648804 /nfs/dbraw/zinc/64/88/04/1111648804.db2.gz CFTHRYDYTIROAV-RCBQFDQVSA-N 0 0 320.433 3.346 20 10 DGCDRN CCC1(CC)[C@H](NC(=O)N[C@@H](C)c2ccccc2O)C[C@@H]1OC ZINC001312347036 1111648898 /nfs/dbraw/zinc/64/88/98/1111648898.db2.gz CFTHRYDYTIROAV-MAZHCROVSA-N 0 0 320.433 3.346 20 10 DGCDRN O=C(N[C@H](CF)c1ccc(F)cc1)N1Cc2cccc(O)c2C1 ZINC001313182753 1111699879 /nfs/dbraw/zinc/69/98/79/1111699879.db2.gz DHINISSSMDNATJ-OAHLLOKOSA-N 0 0 318.323 3.267 20 10 DGCDRN CCSCC[C@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000076786619 185041139 /nfs/dbraw/zinc/04/11/39/185041139.db2.gz IJDDUKKNXWBHEI-AWEZNQCLSA-N 0 0 323.506 3.426 20 10 DGCDRN CC[C@@H](CSC)NC(=O)NCc1c(C)c2ccccc2n1C ZINC000349802295 529529982 /nfs/dbraw/zinc/52/99/82/529529982.db2.gz NJLNSZSQZSKLAO-ZDUSSCGKSA-N 0 0 319.474 3.428 20 10 DGCDRN CCc1ccc(CC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000437027854 529619344 /nfs/dbraw/zinc/61/93/44/529619344.db2.gz VJHDCFVHNOXJES-UHFFFAOYSA-N 0 0 324.424 3.283 20 10 DGCDRN CCc1nc2sccc2c(NCCc2ccc(O)c(O)c2)n1 ZINC000301857141 529751888 /nfs/dbraw/zinc/75/18/88/529751888.db2.gz ZNOUCLWIHNQHPN-UHFFFAOYSA-N 0 0 315.398 3.320 20 10 DGCDRN CC(C)(C)c1cnc(SCc2ncnn2CCF)s1 ZINC000281507080 535145882 /nfs/dbraw/zinc/14/58/82/535145882.db2.gz SDKPVVMKEMXVEV-UHFFFAOYSA-N 0 0 300.428 3.294 20 10 DGCDRN COc1ccc(CNC(=O)N[C@H](C)C2CCC(F)CC2)c(O)c1 ZINC000852630290 620635620 /nfs/dbraw/zinc/63/56/20/620635620.db2.gz BMUOLJKPUXHROJ-LKSINWNRSA-N 0 0 324.396 3.117 20 10 DGCDRN CC(=O)c1ccccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000073407312 191314221 /nfs/dbraw/zinc/31/42/21/191314221.db2.gz AIISZEQIRKSXKQ-UHFFFAOYSA-N 0 0 310.397 3.227 20 10 DGCDRN COc1cccc(CNC(=O)N[C@H]2CCC[C@H](C)[C@H]2C)c1O ZINC000073439963 191316651 /nfs/dbraw/zinc/31/66/51/191316651.db2.gz IPEAMEICJYAWLN-SCRDCRAPSA-N 0 0 306.406 3.025 20 10 DGCDRN Cc1cccc(S(=O)(=O)CCCSc2nccs2)c1 ZINC000164885649 432052753 /nfs/dbraw/zinc/05/27/53/432052753.db2.gz MLDAMOQEMGXJPQ-UHFFFAOYSA-N 0 0 313.469 3.408 20 10 DGCDRN COc1ccc([C@H](C)N(C)C(=O)c2ccc(C)c(O)c2O)cc1 ZINC000179410763 432056957 /nfs/dbraw/zinc/05/69/57/432056957.db2.gz FJBGAPCDSTYJDD-LBPRGKRZSA-N 0 0 315.369 3.248 20 10 DGCDRN CCC(=O)N1CC[C@@H]([NH2+][C@H](CC)c2cccc(Cl)c2[O-])C1 ZINC000287771616 535309576 /nfs/dbraw/zinc/30/95/76/535309576.db2.gz RNLWAGYBGULVSC-BXUZGUMPSA-N 0 0 310.825 3.097 20 10 DGCDRN CCCCO[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc(N)cc2)C1(C)C ZINC000236848538 202036957 /nfs/dbraw/zinc/03/69/57/202036957.db2.gz FKGKIHLAHCHUIP-IAGOWNOFSA-N 0 0 318.461 3.254 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc(F)c(F)c1[O-] ZINC000276972992 299320657 /nfs/dbraw/zinc/32/06/57/299320657.db2.gz ULSZQIZZWAPDOX-QWRGUYRKSA-N 0 0 313.344 3.007 20 10 DGCDRN C[C@@H]([NH2+]CC(C)(C)OCCO)c1ccc(Cl)c(Cl)c1[O-] ZINC000287423184 296116921 /nfs/dbraw/zinc/11/69/21/296116921.db2.gz SKLPDLMGCNQLGQ-SECBINFHSA-N 0 0 322.232 3.137 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Cc1csc(C(C)(C)C)n1 ZINC000171267572 432118502 /nfs/dbraw/zinc/11/85/02/432118502.db2.gz KVSCRJHQNRLVKL-UHFFFAOYSA-N 0 0 318.442 3.347 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(C)c(O)c1 ZINC000473259327 244330343 /nfs/dbraw/zinc/33/03/43/244330343.db2.gz UHKBNPPNWGEMAA-UHFFFAOYSA-N 0 0 308.381 3.431 20 10 DGCDRN C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093482715 193258417 /nfs/dbraw/zinc/25/84/17/193258417.db2.gz SLONEWKVEHVKPV-CABZTGNLSA-N 0 0 304.217 3.434 20 10 DGCDRN Oc1ccc(F)cc1CN1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000190138301 432126501 /nfs/dbraw/zinc/12/65/01/432126501.db2.gz JJSQGHNVNFJRPL-QGZVFWFLSA-N 0 0 323.314 3.383 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C/c2cnccc2C)c(OC)c1 ZINC000492452965 245709534 /nfs/dbraw/zinc/70/95/34/245709534.db2.gz CSEBHQVQOKQPQK-VMPITWQZSA-N 0 0 312.369 3.083 20 10 DGCDRN CC(C)(C)c1ncc(C=CC(=O)N2CCCc3n[nH]cc32)s1 ZINC000493435149 245979474 /nfs/dbraw/zinc/97/94/74/245979474.db2.gz QKHYBOMPIMZZET-SREVYHEPSA-N 0 0 316.430 3.156 20 10 DGCDRN Cc1ccc(/C=C/C(=O)N(C)c2cnc3ccccc3n2)cn1 ZINC000493491144 245992573 /nfs/dbraw/zinc/99/25/73/245992573.db2.gz IYGQHSUEKSESFU-MDZDMXLPSA-N 0 0 304.353 3.009 20 10 DGCDRN Cc1c(/C=C\C(=O)N(C)c2cc(Cl)ccc2C)cnn1C ZINC000493561544 246010865 /nfs/dbraw/zinc/01/08/65/246010865.db2.gz SWMSAXXSSIIWAT-VURMDHGXSA-N 0 0 303.793 3.367 20 10 DGCDRN Cc1ccc(N(C)C(=O)/C=C\c2cnc(C(C)(C)C)s2)nn1 ZINC000493755440 246059706 /nfs/dbraw/zinc/05/97/06/246059706.db2.gz MYLGEJQSUGVSLN-CLFYSBASSA-N 0 0 316.430 3.215 20 10 DGCDRN Cc1cc(C(=O)NC[C@H](C)CCO)c(C)n1-c1cccc(C)c1 ZINC000268900441 432146786 /nfs/dbraw/zinc/14/67/86/432146786.db2.gz UEVYRGRUSJLDDJ-CQSZACIVSA-N 0 0 314.429 3.151 20 10 DGCDRN Cc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000041371759 183187452 /nfs/dbraw/zinc/18/74/52/183187452.db2.gz BLEMEIKVAKOVLB-UHFFFAOYSA-N 0 0 316.426 3.396 20 10 DGCDRN CC[C@H](CC(=O)NCc1ccc(N2CCOCC2)cc1)C(C)C ZINC000104316183 193998828 /nfs/dbraw/zinc/99/88/28/193998828.db2.gz WVOASFAJPJJNEF-QGZVFWFLSA-N 0 0 318.461 3.212 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccco1 ZINC000053251079 183895202 /nfs/dbraw/zinc/89/52/02/183895202.db2.gz VNOQFQNBDUPEFD-UHFFFAOYSA-N 0 0 301.390 3.077 20 10 DGCDRN COc1cc(N(C)Cc2cccc(F)c2)c([N+](=O)[O-])cc1OC ZINC000301869600 532952518 /nfs/dbraw/zinc/95/25/18/532952518.db2.gz CKRXMELMGOCPLR-UHFFFAOYSA-N 0 0 320.320 3.388 20 10 DGCDRN COc1cccc(CNc2ccc(C(=O)NC(C)C)cc2)c1O ZINC000289976019 533517893 /nfs/dbraw/zinc/51/78/93/533517893.db2.gz BZDLXMBSGVGGJV-UHFFFAOYSA-N 0 0 314.385 3.151 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C2(CC)CCOCC2)cc1 ZINC000272157894 130003080 /nfs/dbraw/zinc/00/30/80/130003080.db2.gz FJBGSMZWNKUZTM-UHFFFAOYSA-N 0 0 318.461 3.356 20 10 DGCDRN Cc1cc(C)cc(C2(C(=O)NCc3ccc(O)c(O)c3)CC2)c1 ZINC000272402252 130027200 /nfs/dbraw/zinc/02/72/00/130027200.db2.gz ZFNSWZXJOLKGHP-UHFFFAOYSA-N 0 0 311.381 3.063 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)c3ccc(N)cc3)cc2)CC1 ZINC000272717126 130057305 /nfs/dbraw/zinc/05/73/05/130057305.db2.gz MARMYXUYMMWVCT-UHFFFAOYSA-N 0 0 323.440 3.435 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)c1[O-] ZINC000273049014 130085822 /nfs/dbraw/zinc/08/58/22/130085822.db2.gz JZDIGYHKSYAKJN-IAGOWNOFSA-N 0 0 323.820 3.295 20 10 DGCDRN Cc1ccncc1/C=C/C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000273169425 130094576 /nfs/dbraw/zinc/09/45/76/130094576.db2.gz GQRNITVTMOYMSZ-VQHVLOKHSA-N 0 0 322.408 3.304 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000273427531 130120843 /nfs/dbraw/zinc/12/08/43/130120843.db2.gz UQCMOPPVOFCQLN-JSGCOSHPSA-N 0 0 321.367 3.172 20 10 DGCDRN Cc1ccc([C@H](C)N[C@H](CO)c2c(F)cccc2F)c(O)c1 ZINC000273537018 130133282 /nfs/dbraw/zinc/13/32/82/130133282.db2.gz XPYYPFUAFJEDBV-XHDPSFHLSA-N 0 0 307.340 3.363 20 10 DGCDRN CCCc1nc(C(=O)N(CCC)Cc2ccccc2O)co1 ZINC000273565371 130136470 /nfs/dbraw/zinc/13/64/70/130136470.db2.gz YCQYJTZOXFRBQW-UHFFFAOYSA-N 0 0 302.374 3.385 20 10 DGCDRN COc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1[N+](=O)[O-] ZINC000273621333 130144781 /nfs/dbraw/zinc/14/47/81/130144781.db2.gz ZBZZFGVZSKJVCA-JTQLQIEISA-N 0 0 320.320 3.299 20 10 DGCDRN CCOc1nnc(CN(C)c2ccc(OC(C)C)cc2)s1 ZINC000277177972 130587553 /nfs/dbraw/zinc/58/75/53/130587553.db2.gz LBDWKCYCBVYRDM-UHFFFAOYSA-N 0 0 307.419 3.360 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCSC1 ZINC000279333700 130743998 /nfs/dbraw/zinc/74/39/98/130743998.db2.gz QKWSRTOYTAPVMV-CYBMUJFWSA-N 0 0 308.447 3.067 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCSC1 ZINC000283561613 131003619 /nfs/dbraw/zinc/00/36/19/131003619.db2.gz GFBZNDFNVBYQKA-CQSZACIVSA-N 0 0 308.447 3.209 20 10 DGCDRN CCOc1cccc(CN[C@H](C)c2c(F)cncc2F)c1O ZINC000285477152 131172156 /nfs/dbraw/zinc/17/21/56/131172156.db2.gz LEDXQZWCJAXOEW-SNVBAGLBSA-N 0 0 308.328 3.315 20 10 DGCDRN CC[C@H]([NH2+][C@@H](CO)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000286195719 131223761 /nfs/dbraw/zinc/22/37/61/131223761.db2.gz RAUHJRUXKGZQTN-WBVHZDCISA-N 0 0 303.377 3.176 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000286356678 131231987 /nfs/dbraw/zinc/23/19/87/131231987.db2.gz ZMJLRWZNJAUHID-CVEARBPZSA-N 0 0 307.340 3.445 20 10 DGCDRN CC[C@@H]([NH2+][C@H]1CCC(=O)NC12CCC2)c1cccc(Cl)c1[O-] ZINC000286866567 131252767 /nfs/dbraw/zinc/25/27/67/131252767.db2.gz BLZWRRRPOOJURA-KGLIPLIRSA-N 0 0 322.836 3.288 20 10 DGCDRN CON(CC(C)(C)C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000287492965 131283437 /nfs/dbraw/zinc/28/34/37/131283437.db2.gz IUWXTJZMWPYRFY-UHFFFAOYSA-N 0 0 319.449 3.406 20 10 DGCDRN CC[C@H](C)NC(=O)CC[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000287687587 131294359 /nfs/dbraw/zinc/29/43/59/131294359.db2.gz MYPZPNFQZKPCAP-FZMZJTMJSA-N 0 0 312.841 3.391 20 10 DGCDRN Cc1cc(C(=O)NCC2=CCCOC2)c(C)n1-c1ccccc1 ZINC000288040247 131310858 /nfs/dbraw/zinc/31/08/58/131310858.db2.gz LUFSTVGBCKKWGF-UHFFFAOYSA-N 0 0 310.397 3.171 20 10 DGCDRN COCCN(Cc1scnc1C)c1ccc(OC)c(OC)c1 ZINC000289378255 131380784 /nfs/dbraw/zinc/38/07/84/131380784.db2.gz PFYQYQYREOBXSS-UHFFFAOYSA-N 0 0 322.430 3.122 20 10 DGCDRN CCc1c(C(=O)NCc2ccc(N3CCCC3)cc2)ccn1C ZINC000289587319 131399056 /nfs/dbraw/zinc/39/90/56/131399056.db2.gz QQTANJWGQGREOE-UHFFFAOYSA-N 0 0 311.429 3.118 20 10 DGCDRN Cc1nsc(C)c1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000292186930 131631432 /nfs/dbraw/zinc/63/14/32/131631432.db2.gz HNMBNFWCHIXTAJ-UHFFFAOYSA-N 0 0 315.442 3.072 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2c[nH]nc2C(C)(C)C)cc1 ZINC000292813695 131679202 /nfs/dbraw/zinc/67/92/02/131679202.db2.gz PETAKRUQKDMTEC-UHFFFAOYSA-N 0 0 314.433 3.045 20 10 DGCDRN Oc1ccc(CCNc2ncnc3c4ccccc4oc32)cc1O ZINC000006941807 400094951 /nfs/dbraw/zinc/09/49/51/400094951.db2.gz KOWVDVUYXQTOJQ-UHFFFAOYSA-N 0 0 321.336 3.442 20 10 DGCDRN CCc1nc(Cl)c(C)c(NCc2cccc(OC)c2O)n1 ZINC000091479401 400122554 /nfs/dbraw/zinc/12/25/54/400122554.db2.gz POLMZGKYLUYHEI-UHFFFAOYSA-N 0 0 307.781 3.327 20 10 DGCDRN CCOc1cc(NCc2cc(OC)ccc2O)ccc1[N+](=O)[O-] ZINC000092654514 400189316 /nfs/dbraw/zinc/18/93/16/400189316.db2.gz UWWCPEOKESKGJG-UHFFFAOYSA-N 0 0 318.329 3.320 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)Cn2ccnc2)c(C)n1-c1ccccc1 ZINC000042535689 400433590 /nfs/dbraw/zinc/43/35/90/400433590.db2.gz PQHBABZXIWDDPM-CQSZACIVSA-N 0 0 322.412 3.109 20 10 DGCDRN COc1ccc(O)c([C@@H](C)Nc2cc(C)c([N+](=O)[O-])cn2)c1 ZINC000074747856 400532107 /nfs/dbraw/zinc/53/21/07/400532107.db2.gz MTDSIAKGNKEBHK-SNVBAGLBSA-N 0 0 303.318 3.186 20 10 DGCDRN Cc1cc(NCc2ccc3c(c2)CCCN3C)ncc1[N+](=O)[O-] ZINC000074744766 400532396 /nfs/dbraw/zinc/53/23/96/400532396.db2.gz WYCCKURMSUHQLD-UHFFFAOYSA-N 0 0 312.373 3.293 20 10 DGCDRN C[C@H](CC(=O)NCc1ccccc1O)Cc1cccc(F)c1 ZINC000074824535 400539871 /nfs/dbraw/zinc/53/98/71/400539871.db2.gz PSGPIWAQNVOORC-ZDUSSCGKSA-N 0 0 301.361 3.416 20 10 DGCDRN COCc1ccccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000046321283 400559497 /nfs/dbraw/zinc/55/94/97/400559497.db2.gz IXTYAGSRRFHYBZ-UHFFFAOYSA-N 0 0 312.413 3.171 20 10 DGCDRN C[C@H]1C[C@@H]1CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000047098325 400601188 /nfs/dbraw/zinc/60/11/88/400601188.db2.gz PTWCZJIZGLZZQB-DOTOQJQBSA-N 0 0 315.461 3.474 20 10 DGCDRN Cc1nnc(N(C)Cc2ccc(N3CCCCC3)cc2)s1 ZINC000077187936 400693532 /nfs/dbraw/zinc/69/35/32/400693532.db2.gz WIYBRTMWUREECU-UHFFFAOYSA-N 0 0 302.447 3.473 20 10 DGCDRN Cc1cccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1C ZINC000054285145 400816597 /nfs/dbraw/zinc/81/65/97/400816597.db2.gz YRUNNJGMLSBNKS-UHFFFAOYSA-N 0 0 324.424 3.070 20 10 DGCDRN CC[C@H](C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000055530361 400875938 /nfs/dbraw/zinc/87/59/38/400875938.db2.gz AGNQUATXRHXYGX-BFHYXJOUSA-N 0 0 322.424 3.102 20 10 DGCDRN CCc1nsc(NC2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000080787291 400992170 /nfs/dbraw/zinc/99/21/70/400992170.db2.gz ZZLDLOSGFLHDPC-UHFFFAOYSA-N 0 0 318.446 3.190 20 10 DGCDRN Cc1cc(C)c(C(=O)N2CCOc3cc(N(C)C)ccc32)s1 ZINC000631563848 401498013 /nfs/dbraw/zinc/49/80/13/401498013.db2.gz YLWZKPAFTQDBGR-UHFFFAOYSA-N 0 0 316.426 3.470 20 10 DGCDRN COc1ccc(N(C[C@@H]2CCNC(=O)CC2)[C@H](C)C2CC2)cc1 ZINC000295019498 286323528 /nfs/dbraw/zinc/32/35/28/286323528.db2.gz UPZDQRRTIMTWAU-CABCVRRESA-N 0 0 316.445 3.216 20 10 DGCDRN CC[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)C(F)(F)F ZINC001628277881 1194170052 /nfs/dbraw/zinc/17/00/52/1194170052.db2.gz VJLQEOAASOSOJZ-GFCCVEGCSA-N 0 0 321.318 3.032 20 10 DGCDRN COCCN(C(=O)Cc1ccc(N)cc1)[C@@H](C)c1ccccc1 ZINC000269255799 432155525 /nfs/dbraw/zinc/15/55/25/432155525.db2.gz XINOTMAOMRZFON-HNNXBMFYSA-N 0 0 312.413 3.048 20 10 DGCDRN CSCCCCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000172511453 432217681 /nfs/dbraw/zinc/21/76/81/432217681.db2.gz AMWSJWGIQVEUOV-UHFFFAOYSA-N 0 0 306.475 3.436 20 10 DGCDRN CCc1nsc(N[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000301498208 228896910 /nfs/dbraw/zinc/89/69/10/228896910.db2.gz DMRKCOBMEXNTPX-GFCCVEGCSA-N 0 0 318.446 3.110 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cc1ccc(O)cc1 ZINC000348658560 229204669 /nfs/dbraw/zinc/20/46/69/229204669.db2.gz FORUOHASEDBDOU-UHFFFAOYSA-N 0 0 308.381 3.051 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cnn(C(C)C)c1 ZINC000348701915 229206987 /nfs/dbraw/zinc/20/69/87/229206987.db2.gz RYSZDAIYEXAMBE-UHFFFAOYSA-N 0 0 310.401 3.194 20 10 DGCDRN CO[C@H]1CCC[C@H](C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000352078690 229243016 /nfs/dbraw/zinc/24/30/16/229243016.db2.gz ALWODGLLDGIXFY-GJZGRUSLSA-N 0 0 314.429 3.308 20 10 DGCDRN COCc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1 ZINC000173016119 432251660 /nfs/dbraw/zinc/25/16/60/432251660.db2.gz GDJZJYJSGSUVEZ-RVDMUPIBSA-N 0 0 316.426 3.289 20 10 DGCDRN CN1C(=O)/C(=C\c2ccc3c(c2)CC(C)(C)O3)SC1=S ZINC000171770348 276871979 /nfs/dbraw/zinc/87/19/79/276871979.db2.gz IGPMYHXUFNUXGG-KPKJPENVSA-N 0 0 305.424 3.231 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNc1nc(N)c2ccccc2n1 ZINC000530429210 430114179 /nfs/dbraw/zinc/11/41/79/430114179.db2.gz LAVAEUIVMGLJDA-UHFFFAOYSA-N 0 0 317.396 3.046 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCCC[C@H]2c2cc[nH]n2)c1O ZINC000285307518 277105948 /nfs/dbraw/zinc/10/59/48/277105948.db2.gz HWHTVDDHVGXVSP-INIZCTEOSA-N 0 0 317.364 3.184 20 10 DGCDRN CC(C)c1[nH]ccc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000286136680 277997586 /nfs/dbraw/zinc/99/75/86/277997586.db2.gz OTSIVBVYYUIWHH-UHFFFAOYSA-N 0 0 313.401 3.243 20 10 DGCDRN CC[C@H]([NH2+]CCC(=O)N1CCCCC1)c1cccc(Cl)c1[O-] ZINC000287826472 288038486 /nfs/dbraw/zinc/03/84/86/288038486.db2.gz VLZMVLULPCGKFT-HNNXBMFYSA-N 0 0 324.852 3.489 20 10 DGCDRN CC[C@H]([NH2+]CCNC(=O)c1ccco1)c1cccc(Cl)c1[O-] ZINC000287604924 288041514 /nfs/dbraw/zinc/04/15/14/288041514.db2.gz ITTWWSOIRODCBM-ZDUSSCGKSA-N 0 0 322.792 3.109 20 10 DGCDRN CC[C@H]([NH2+][C@H](C)CC[S@@](C)=O)c1cccc(Cl)c1[O-] ZINC000287667132 288076959 /nfs/dbraw/zinc/07/69/59/288076959.db2.gz LZPSPIFARNIJHB-KPGGICDASA-N 0 0 303.855 3.243 20 10 DGCDRN CC(C)(C)c1noc(/C=C/c2ccc(N3CCOCC3)cc2)n1 ZINC000109521405 431180264 /nfs/dbraw/zinc/18/02/64/431180264.db2.gz BEYFFXYKBFFDOA-RMKNXTFCSA-N 0 0 313.401 3.374 20 10 DGCDRN CCCCCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000071798971 431290465 /nfs/dbraw/zinc/29/04/65/431290465.db2.gz MKMWJCLKKPQDML-MRXNPFEDSA-N 0 0 305.418 3.480 20 10 DGCDRN COc1ccc(N2CCN(Cc3cccc(Cl)n3)CC2)cc1 ZINC000075594747 431490409 /nfs/dbraw/zinc/49/04/09/431490409.db2.gz WUMXXJGLEWILSU-UHFFFAOYSA-N 0 0 317.820 3.066 20 10 DGCDRN CS[C@H]1CCC[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000117400733 431561389 /nfs/dbraw/zinc/56/13/89/431561389.db2.gz BDSGCWVYKCFANM-ZBFHGGJFSA-N 0 0 321.490 3.226 20 10 DGCDRN CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCO1 ZINC000273546799 280021214 /nfs/dbraw/zinc/02/12/14/280021214.db2.gz ZODGCKSHKKJVGY-MKBNYLNASA-N 0 0 308.378 3.155 20 10 DGCDRN CCS[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)C(C)C ZINC000188908028 280053366 /nfs/dbraw/zinc/05/33/66/280053366.db2.gz PLZBEEWRKYINKV-INIZCTEOSA-N 0 0 322.474 3.256 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@H]2CSc3ccccc32)cc1 ZINC000118195711 431590849 /nfs/dbraw/zinc/59/08/49/431590849.db2.gz LXWVXWAAOCDINV-INIZCTEOSA-N 0 0 312.438 3.258 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)CSC ZINC000077626127 431611583 /nfs/dbraw/zinc/61/15/83/431611583.db2.gz KXPGZJZJVIHTGG-CYBMUJFWSA-N 0 0 309.479 3.036 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C(C)C)n[nH]1 ZINC000120345902 431726721 /nfs/dbraw/zinc/72/67/21/431726721.db2.gz YJLYJJMEUOWCSX-UHFFFAOYSA-N 0 0 314.433 3.261 20 10 DGCDRN Nc1ccc(CC(=O)NC2CCC(C(F)(F)F)CC2)cc1 ZINC000037044159 431843731 /nfs/dbraw/zinc/84/37/31/431843731.db2.gz BSNZRKJNMMYLCT-UHFFFAOYSA-N 0 0 300.324 3.049 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CCO[C@@H]3CCC[C@@H]32)c1O ZINC000043426175 431868628 /nfs/dbraw/zinc/86/86/28/431868628.db2.gz KPVKPOHRXDEQQL-LSDHHAIUSA-N 0 0 309.793 3.002 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN(C)Cc2ccccn2)c1O ZINC000050134243 431946677 /nfs/dbraw/zinc/94/66/77/431946677.db2.gz AZYQUFWVKRAMNZ-UHFFFAOYSA-N 0 0 304.777 3.275 20 10 DGCDRN CCc1sc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1C ZINC000183473346 432295856 /nfs/dbraw/zinc/29/58/56/432295856.db2.gz LVRDWMYCMUJXLR-NSHDSACASA-N 0 0 319.426 3.391 20 10 DGCDRN Nc1ccc(CCNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)cc1 ZINC000152590541 432341356 /nfs/dbraw/zinc/34/13/56/432341356.db2.gz HOINQCRYOPPYBA-HUUCEWRRSA-N 0 0 316.351 3.009 20 10 DGCDRN C[C@@H]1[C@H](C)[S@@](=O)CCN1Cc1ccc(N2CCCCC2)cc1 ZINC000271195534 432350657 /nfs/dbraw/zinc/35/06/57/432350657.db2.gz NIRJHIIQGXVDPY-VVBPWWLESA-N 0 0 320.502 3.018 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2CCO[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC000271397662 432387649 /nfs/dbraw/zinc/38/76/49/432387649.db2.gz JPQVWKNJWKVOIM-GOEBONIOSA-N 0 0 312.413 3.391 20 10 DGCDRN Cc1ccc([C@@H](C)Nc2ccc(OCCC(N)=O)cc2)c(O)c1 ZINC000192716820 432403266 /nfs/dbraw/zinc/40/32/66/432403266.db2.gz LPXVDTLTVMZQEY-CYBMUJFWSA-N 0 0 314.385 3.128 20 10 DGCDRN COCCOCC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192734054 432407730 /nfs/dbraw/zinc/40/77/30/432407730.db2.gz PXEZDCIIVDGPCF-VIFPVBQESA-N 0 0 308.205 3.013 20 10 DGCDRN CC[C@H]1CCCC[C@H]1OCC(=O)N(C)Cc1ccccc1O ZINC000184566279 432406560 /nfs/dbraw/zinc/40/65/60/432406560.db2.gz GZRJKJKJPJPILI-WMLDXEAASA-N 0 0 305.418 3.336 20 10 DGCDRN CN(C)c1ccc(CNc2ncc(Cl)cc2[N+](=O)[O-])cc1F ZINC000153647250 432428383 /nfs/dbraw/zinc/42/83/83/432428383.db2.gz NYKVHXBIXGPWOU-UHFFFAOYSA-N 0 0 324.743 3.460 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H](CO)Cc1ccc(F)cc1 ZINC000271945343 432429445 /nfs/dbraw/zinc/42/94/45/432429445.db2.gz XHPINCZXNMSZOP-CYBMUJFWSA-N 0 0 323.795 3.126 20 10 DGCDRN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cccc(O)c1O ZINC000193079818 432447724 /nfs/dbraw/zinc/44/77/24/432447724.db2.gz IFJKWTHOCYDOEK-YPMHNXCESA-N 0 0 315.344 3.255 20 10 DGCDRN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1cccc(O)c1O ZINC000193102445 432449462 /nfs/dbraw/zinc/44/94/62/432449462.db2.gz STXDTHJHDRYQNV-OAHLLOKOSA-N 0 0 313.397 3.500 20 10 DGCDRN COCCOc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000185012226 432455516 /nfs/dbraw/zinc/45/55/16/432455516.db2.gz MIDPYEBLZDDPCM-ZDUSSCGKSA-N 0 0 319.376 3.407 20 10 DGCDRN CN(C(=O)/C=C\c1cccnc1)c1ccc(-c2ccccc2)nn1 ZINC000255117082 432407964 /nfs/dbraw/zinc/40/79/64/432407964.db2.gz VWKOMONVDKZIDN-XFXZXTDPSA-N 0 0 316.364 3.215 20 10 DGCDRN CN(C(=O)/C=C\c1cncc(F)c1)c1cccc2ncccc21 ZINC000255374357 432410017 /nfs/dbraw/zinc/41/00/17/432410017.db2.gz IPKZWLANXVZOBK-FPLPWBNLSA-N 0 0 307.328 3.445 20 10 DGCDRN CN(C(=O)/C=C\c1ccc(Cl)nc1)c1ccc(Cl)cn1 ZINC000255599605 432412312 /nfs/dbraw/zinc/41/23/12/432412312.db2.gz SDGAEJWENYWWDN-CLTKARDFSA-N 0 0 308.168 3.460 20 10 DGCDRN COc1cc(Cl)cc(CN2CCn3cccc3[C@@H]2C)c1O ZINC000184672850 432419109 /nfs/dbraw/zinc/41/91/09/432419109.db2.gz BZVGJHVQUHMKPX-NSHDSACASA-N 0 0 306.793 3.433 20 10 DGCDRN COc1ccc(O)c(C[NH2+][C@H]2CCOC3(CCCCC3)C2)c1 ZINC000271768527 432425108 /nfs/dbraw/zinc/42/51/08/432425108.db2.gz AZOFSYHUIPOGSZ-HNNXBMFYSA-N 0 0 305.418 3.372 20 10 DGCDRN COc1cccc(CNC(=O)[C@H](c2ccccc2)C(C)C)c1O ZINC000175930494 432479518 /nfs/dbraw/zinc/47/95/18/432479518.db2.gz BJRVCQJPKGJNIT-KRWDZBQOSA-N 0 0 313.397 3.457 20 10 DGCDRN CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NCCc1ccc(N)cc1 ZINC000262573449 432490925 /nfs/dbraw/zinc/49/09/25/432490925.db2.gz GRPYEHLLYMGRRW-WBAXXEDZSA-N 0 0 318.461 3.301 20 10 DGCDRN Cc1nc(CCCC(=O)N(C)Cc2ccccc2O)cs1 ZINC000176136515 432495896 /nfs/dbraw/zinc/49/58/96/432495896.db2.gz ASILBIHIPOKBOB-UHFFFAOYSA-N 0 0 304.415 3.138 20 10 DGCDRN C[C@H](C[S@@](C)=O)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000193280367 432462910 /nfs/dbraw/zinc/46/29/10/432462910.db2.gz ALSFMWDXLWIRHL-PUERIAAYSA-N 0 0 310.246 3.117 20 10 DGCDRN Cc1cc2c(cc1C)[C@H](C(=O)N(C)Cc1ccccc1O)CO2 ZINC000186102520 432558928 /nfs/dbraw/zinc/55/89/28/432558928.db2.gz HOELARJDEJXLKL-MRXNPFEDSA-N 0 0 311.381 3.144 20 10 DGCDRN CC(C)(O)COc1ccc(NCc2cc(F)ccc2O)cc1 ZINC000272504517 432515189 /nfs/dbraw/zinc/51/51/89/432515189.db2.gz WBWIZINZFQUTKH-UHFFFAOYSA-N 0 0 305.349 3.293 20 10 DGCDRN C[C@H](N(C)C(=O)NCc1ccc(N(C)C)c(F)c1)C1(C)CC1 ZINC000176465535 432525150 /nfs/dbraw/zinc/52/51/50/432525150.db2.gz OXIUGHHXRFTCTQ-LBPRGKRZSA-N 0 0 307.413 3.222 20 10 DGCDRN COC1(C(=O)NCc2ccc(N3CCCC3)cc2)CCCCC1 ZINC000185711676 432527079 /nfs/dbraw/zinc/52/70/79/432527079.db2.gz YHASDQQOXSSHFG-UHFFFAOYSA-N 0 0 316.445 3.252 20 10 DGCDRN C[C@H](C[S@@](C)=O)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000186541258 432605508 /nfs/dbraw/zinc/60/55/08/432605508.db2.gz VYZVAWLCCSCRKI-PUERIAAYSA-N 0 0 310.246 3.117 20 10 DGCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CC2CC2)cc1 ZINC000264048316 432609772 /nfs/dbraw/zinc/60/97/72/432609772.db2.gz VKJOEQVFZOJFHN-UHFFFAOYSA-N 0 0 314.351 3.444 20 10 DGCDRN CN(C)c1ccc(CNCc2cc(COC(C)(C)C)on2)cc1 ZINC000186427289 432594282 /nfs/dbraw/zinc/59/42/82/432594282.db2.gz XUORCLVDDZBKNH-UHFFFAOYSA-N 0 0 317.433 3.346 20 10 DGCDRN CCn1cnnc1C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000273435797 432599540 /nfs/dbraw/zinc/59/95/40/432599540.db2.gz WZGBFDDPXDOTDW-QMMMGPOBSA-N 0 0 315.204 3.161 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)[C@H](O)c1cccc(F)c1)c1ccc(F)cc1[O-] ZINC000273463327 432602646 /nfs/dbraw/zinc/60/26/46/432602646.db2.gz INHXTKDGCVANLE-DINDLPBHSA-N 0 0 307.340 3.443 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C/c2scnc2C)cc1F ZINC000186797835 432631563 /nfs/dbraw/zinc/63/15/63/432631563.db2.gz BELBSRPLSFCQKY-VOTSOKGWSA-N 0 0 306.362 3.275 20 10 DGCDRN COc1cccc([C@H]2CCCN2C(=O)c2cccc(O)c2O)c1 ZINC000186835482 432633274 /nfs/dbraw/zinc/63/32/74/432633274.db2.gz SXRWVMUWVQEGIY-OAHLLOKOSA-N 0 0 313.353 3.084 20 10 DGCDRN Cc1nc(C(C)(C)NCc2cc(Cl)cc(Cl)c2[O-])no1 ZINC000264417240 432644042 /nfs/dbraw/zinc/64/40/42/432644042.db2.gz RQOHTGJVBUVLAS-UHFFFAOYSA-N 0 0 316.188 3.415 20 10 DGCDRN C[C@@H]1CCN(C(=O)c2cccc(O)c2O)[C@@H](c2ccco2)C1 ZINC000187157579 432649665 /nfs/dbraw/zinc/64/96/65/432649665.db2.gz JWBDRVNOCFDWHH-DGCLKSJQSA-N 0 0 301.342 3.304 20 10 DGCDRN CCCCOCCNC(=O)N(CCC)Cc1ccccc1O ZINC000264501618 432652882 /nfs/dbraw/zinc/65/28/82/432652882.db2.gz IGZYMCAWZVHFJP-UHFFFAOYSA-N 0 0 308.422 3.131 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCC(C)(C)OCC ZINC000187610746 432672823 /nfs/dbraw/zinc/67/28/23/432672823.db2.gz QPJLQVVTZLVKIZ-UHFFFAOYSA-N 0 0 308.422 3.129 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)[C@H]2CCOC2)cc1 ZINC000266039744 432750682 /nfs/dbraw/zinc/75/06/82/432750682.db2.gz FWSJTUWDOJIVKJ-WBVHZDCISA-N 0 0 312.413 3.249 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+][C@H](C(=O)[O-])C(C)(C)C)cc1F ZINC000277200696 432830402 /nfs/dbraw/zinc/83/04/02/432830402.db2.gz GLLTUYYKOXNPDB-OAHLLOKOSA-N 0 0 310.413 3.261 20 10 DGCDRN CC[C@H](C)c1nnc([C@@H](C)N[C@H](C)c2cc(OC)ccc2O)[nH]1 ZINC000277223582 432831515 /nfs/dbraw/zinc/83/15/15/432831515.db2.gz LMUYZDXPLXFUND-QJPTWQEYSA-N 0 0 318.421 3.444 20 10 DGCDRN CN(C)c1ccc(C[NH2+]Cc2ccc3c(n2)CCCC3)cc1F ZINC000277726962 432872845 /nfs/dbraw/zinc/87/28/45/432872845.db2.gz OGXDURUHKMXLCN-UHFFFAOYSA-N 0 0 313.420 3.455 20 10 DGCDRN CCCC[C@@H]1NC(=O)N(c2cc(Cl)c(N)c(Cl)c2)C1=O ZINC000278190828 432889495 /nfs/dbraw/zinc/88/94/95/432889495.db2.gz RLDJSKQIVJPOFD-JTQLQIEISA-N 0 0 316.188 3.191 20 10 DGCDRN CCOc1cccc(CNCc2nnc(C(C)(C)C)s2)c1O ZINC000268148342 432849890 /nfs/dbraw/zinc/84/98/90/432849890.db2.gz ALPFRABNLJFKNX-UHFFFAOYSA-N 0 0 321.446 3.230 20 10 DGCDRN CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2cc(C)c(C)cc2O)[nH]1 ZINC000277469712 432852987 /nfs/dbraw/zinc/85/29/87/432852987.db2.gz RJIOPGFPZOLFKN-GWCFXTLKSA-N 0 0 302.422 3.491 20 10 DGCDRN COc1ccc(COCC[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000296822934 432929517 /nfs/dbraw/zinc/92/95/17/432929517.db2.gz MFRSRMUIIBZOKF-QGZVFWFLSA-N 0 0 313.397 3.195 20 10 DGCDRN O=C(c1cccc(O)c1O)N(CCc1ccc(F)cc1)C1CC1 ZINC000279063243 432931658 /nfs/dbraw/zinc/93/16/58/432931658.db2.gz CGCIZOIJEUJKGP-UHFFFAOYSA-N 0 0 315.344 3.084 20 10 DGCDRN Cc1cccc(CNc2ccc3c(c2)N(C(N)=O)CCC3)c1O ZINC000278554941 432897275 /nfs/dbraw/zinc/89/72/75/432897275.db2.gz DXINNHXUGWIIDV-UHFFFAOYSA-N 0 0 311.385 3.144 20 10 DGCDRN Cc1cc(C(=O)N[C@H]2CCOC[C@@H]2C)c(C)n1-c1ccccc1 ZINC000278783510 432900417 /nfs/dbraw/zinc/90/04/17/432900417.db2.gz YLLXNQFVVDBSAW-UGSOOPFHSA-N 0 0 312.413 3.249 20 10 DGCDRN COCc1ccccc1NCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278949202 432920878 /nfs/dbraw/zinc/92/08/78/432920878.db2.gz ZFQJNPGFFNBNDL-UHFFFAOYSA-N 0 0 318.329 3.068 20 10 DGCDRN Cc1c(N[C@H]2CCc3cccc(O)c32)cnn1C1CCOCC1 ZINC000297188509 432971943 /nfs/dbraw/zinc/97/19/43/432971943.db2.gz FGINZEQHJMNCBN-HNNXBMFYSA-N 0 0 313.401 3.348 20 10 DGCDRN CC(=O)C(=O)CSc1nccn1-c1ccc(C(C)C)cc1 ZINC000289776501 432974369 /nfs/dbraw/zinc/97/43/69/432974369.db2.gz WPOINYRLQHOTEN-UHFFFAOYSA-N 0 0 302.399 3.246 20 10 DGCDRN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)Cc2cccc(F)c2)c(O)c1 ZINC000297216086 432976088 /nfs/dbraw/zinc/97/60/88/432976088.db2.gz GZVCBKSSCUFABA-YOEHRIQHSA-N 0 0 317.404 3.402 20 10 DGCDRN COc1cc(Cl)cc(CNCc2noc3c2CCCC3)c1O ZINC000290124102 432996777 /nfs/dbraw/zinc/99/67/77/432996777.db2.gz JCBUDTVWVMFIRG-UHFFFAOYSA-N 0 0 322.792 3.211 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)C[C@H]2CCC(=O)[C@@H]2C)cc1 ZINC000280037487 432999980 /nfs/dbraw/zinc/99/99/80/432999980.db2.gz WKPSXTBOQSDYBB-GDBMZVCRSA-N 0 0 316.445 3.154 20 10 DGCDRN CCOCc1nc([C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)no1 ZINC000290214344 433013261 /nfs/dbraw/zinc/01/32/61/433013261.db2.gz QEKMQCDAIICULP-CHWSQXEVSA-N 0 0 318.421 3.084 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000290251041 433020213 /nfs/dbraw/zinc/02/02/13/433020213.db2.gz JWVQVIFKPIKEJD-VXGBXAGGSA-N 0 0 314.341 3.127 20 10 DGCDRN COc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2C[C@@H](C)O)c1O ZINC000280487440 433060540 /nfs/dbraw/zinc/06/05/40/433060540.db2.gz ONCJRFICLFRQMY-BXUZGUMPSA-N 0 0 313.825 3.180 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)C(=O)c2ccccc2)C2CC2)cc1 ZINC000280557623 433085987 /nfs/dbraw/zinc/08/59/87/433085987.db2.gz BGENSWBJDATKIK-UHFFFAOYSA-N 0 0 322.408 3.127 20 10 DGCDRN C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000290587018 433105774 /nfs/dbraw/zinc/10/57/74/433105774.db2.gz VAXYGNJOAAFNHZ-QMTHXVAHSA-N 0 0 317.260 3.471 20 10 DGCDRN O=C(Nc1nc(-c2ccccc2F)co1)c1cccc(O)c1O ZINC000373647185 433155968 /nfs/dbraw/zinc/15/59/68/433155968.db2.gz KVHDWRHTHGBGJR-UHFFFAOYSA-N 0 0 314.272 3.144 20 10 DGCDRN Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1cccc(O)c1O ZINC000373703870 433159285 /nfs/dbraw/zinc/15/92/85/433159285.db2.gz YHFFSTFURXLADL-UHFFFAOYSA-N 0 0 309.325 3.049 20 10 DGCDRN Cn1c(-c2ccccc2)cnc1SC[C@@](C)(O)C(F)(F)F ZINC000281067096 433259027 /nfs/dbraw/zinc/25/90/27/433259027.db2.gz SKGPJTMVSBVCRX-CYBMUJFWSA-N 0 0 316.348 3.493 20 10 DGCDRN CCOCc1cc(CNCc2oc(CC)nc2C)ccc1OC ZINC000291754271 433337878 /nfs/dbraw/zinc/33/78/78/433337878.db2.gz LZAKSZPEEBQAFT-UHFFFAOYSA-N 0 0 318.417 3.380 20 10 DGCDRN C[C@H]1Oc2ccccc2[C@H]1NC(=O)N(C)Cc1ccccc1O ZINC000291761955 433344210 /nfs/dbraw/zinc/34/42/10/433344210.db2.gz HXRCEOVENGLILY-PXAZEXFGSA-N 0 0 312.369 3.056 20 10 DGCDRN CCSCCCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000282271299 433548605 /nfs/dbraw/zinc/54/86/05/433548605.db2.gz UZEVGWROCZYLLN-UHFFFAOYSA-N 0 0 319.474 3.005 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCO[C@@H](C)C1 ZINC000282429595 433605015 /nfs/dbraw/zinc/60/50/15/433605015.db2.gz HISVPVZASAKHTR-GJZGRUSLSA-N 0 0 305.418 3.336 20 10 DGCDRN C[C@H]([NH2+]CC1([S@](C)=O)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000282464059 433610594 /nfs/dbraw/zinc/61/05/94/433610594.db2.gz VTNMDWSXHBWEAS-RLBGWGEZSA-N 0 0 322.257 3.261 20 10 DGCDRN CC(C)(COCc1ccccc1)C(=O)NCc1ccccc1O ZINC000282599223 433619505 /nfs/dbraw/zinc/61/95/05/433619505.db2.gz WHSHQENEUVGJGI-UHFFFAOYSA-N 0 0 313.397 3.251 20 10 DGCDRN CCCc1occc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000282568799 433619739 /nfs/dbraw/zinc/61/97/39/433619739.db2.gz KSFGMPOQJCGIOI-UHFFFAOYSA-N 0 0 314.385 3.337 20 10 DGCDRN COc1ccc(N2CCN(c3ccnc(Cl)c3)CC2)cc1F ZINC000301654019 433657966 /nfs/dbraw/zinc/65/79/66/433657966.db2.gz UKXKMTAZDRYJBM-UHFFFAOYSA-N 0 0 321.783 3.209 20 10 DGCDRN CCC[C@H](C)C(=O)NCC[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000293678567 433824578 /nfs/dbraw/zinc/82/45/78/433824578.db2.gz KDNMVFHGVVAMKB-WFASDCNBSA-N 0 0 310.413 3.124 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCCc1nccs1 ZINC000293657202 433819659 /nfs/dbraw/zinc/81/96/59/433819659.db2.gz PFZGRGDFJLPHIQ-UHFFFAOYSA-N 0 0 300.786 3.364 20 10 DGCDRN CC(C)Oc1cncc(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000302307271 433821601 /nfs/dbraw/zinc/82/16/01/433821601.db2.gz RPZWQCVBELLDOL-UHFFFAOYSA-N 0 0 304.369 3.081 20 10 DGCDRN COCc1nc(C)cc(N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000302477948 433822655 /nfs/dbraw/zinc/82/26/55/433822655.db2.gz XOOFWRDBJPOFSZ-ZDUSSCGKSA-N 0 0 300.406 3.171 20 10 DGCDRN CCC[C@H](OC)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000294280492 434070334 /nfs/dbraw/zinc/07/03/34/434070334.db2.gz FGCZQZWNMOVOSR-SFHVURJKSA-N 0 0 318.461 3.450 20 10 DGCDRN C[NH+](C)[C@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000294754312 434132848 /nfs/dbraw/zinc/13/28/48/434132848.db2.gz RPSANJLLEVVYJZ-LBPRGKRZSA-N 0 0 300.805 3.101 20 10 DGCDRN CO[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])CC1(C)C ZINC000294934991 434154493 /nfs/dbraw/zinc/15/44/93/434154493.db2.gz GOJVUGFZHQEOIW-AWEZNQCLSA-N 0 0 301.789 3.432 20 10 DGCDRN CC[C@H]([NH2+]CCc1nccnc1C)c1cccc(Cl)c1[O-] ZINC000294980962 434157544 /nfs/dbraw/zinc/15/75/44/434157544.db2.gz KPGIBTRVWNFVJJ-AWEZNQCLSA-N 0 0 305.809 3.427 20 10 DGCDRN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H](CO)c1ccccc1 ZINC000295039714 434163569 /nfs/dbraw/zinc/16/35/69/434163569.db2.gz MMJJHQAVQWOFRR-OAHLLOKOSA-N 0 0 309.768 3.350 20 10 DGCDRN CO[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000273363681 294459656 /nfs/dbraw/zinc/45/96/56/294459656.db2.gz DKNZAFLFKAKLSH-SJKOYZFVSA-N 0 0 316.357 3.339 20 10 DGCDRN O=C(N[C@@H](c1ccccc1)c1ccccn1)c1cccc(O)c1O ZINC000363922872 434181896 /nfs/dbraw/zinc/18/18/96/434181896.db2.gz GHMINHHCWJDGHC-KRWDZBQOSA-N 0 0 320.348 3.012 20 10 DGCDRN CCC1(CO)CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295328418 434314927 /nfs/dbraw/zinc/31/49/27/434314927.db2.gz LTBGJDXYPVQCSB-UHFFFAOYSA-N 0 0 301.789 3.169 20 10 DGCDRN CCC[C@@H](CNC(=O)c1cc(C)n(-c2ccccn2)c1C)OC ZINC000295461079 434372589 /nfs/dbraw/zinc/37/25/89/434372589.db2.gz PZYJOAKHQWGXGO-HNNXBMFYSA-N 0 0 315.417 3.034 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@]1(C)CCCCO1 ZINC000457764942 434334744 /nfs/dbraw/zinc/33/47/44/434334744.db2.gz MOBWNGMUHPCWJL-SFHVURJKSA-N 0 0 300.402 3.062 20 10 DGCDRN CCN1C(=O)/C(=C\c2ncc(CSC)s2)SC1=S ZINC000296002530 434470754 /nfs/dbraw/zinc/47/07/54/434470754.db2.gz SRHKPMQWBGQBGJ-XBXARRHUSA-N 0 0 316.498 3.227 20 10 DGCDRN CN1CCCN(C(=O)/C=C/c2cncs2)c2ccc(F)cc21 ZINC000366920604 434533850 /nfs/dbraw/zinc/53/38/50/434533850.db2.gz CDTZCVLYZWMDSK-GQCTYLIASA-N 0 0 317.389 3.169 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CCc2nc(C)ncc2C1)c1ccc(F)cc1[O-] ZINC000367599894 434553592 /nfs/dbraw/zinc/55/35/92/434553592.db2.gz ILCJFBRUNRWKKN-ZBFHGGJFSA-N 0 0 315.392 3.228 20 10 DGCDRN C[C@@H]1CCC[C@@]1(C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000410533574 434653364 /nfs/dbraw/zinc/65/33/64/434653364.db2.gz JTOZOGCYDJPVFD-FZKQIMNGSA-N 0 0 302.418 3.304 20 10 DGCDRN Nc1ccc(CC(=O)N2CCC[C@@H](Cc3ccccc3)C2)cc1 ZINC000372116517 434799867 /nfs/dbraw/zinc/79/98/67/434799867.db2.gz PFWKSTACFYCVCY-SFHVURJKSA-N 0 0 308.425 3.293 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C\c2cnc(C)s2)cc1OC ZINC000491872758 434873844 /nfs/dbraw/zinc/87/38/44/434873844.db2.gz WXYVEHCXAKZZSK-VURMDHGXSA-N 0 0 318.398 3.145 20 10 DGCDRN CCN(C(=O)/C=C\c1c(C)nn(C)c1Cl)c1ncccc1C ZINC000492563860 435013239 /nfs/dbraw/zinc/01/32/39/435013239.db2.gz JBXYCGYNVVLIOM-HJWRWDBZSA-N 0 0 318.808 3.152 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@H](C)c2ccco2)c1 ZINC000528859017 435029874 /nfs/dbraw/zinc/02/98/74/435029874.db2.gz FUEOKLSJDFVDRD-RYUDHWBXSA-N 0 0 303.358 3.365 20 10 DGCDRN Cc1ccc(/C=C/C(=O)N(C[C@H]2CCCO2)c2ccncc2)cn1 ZINC000492551629 435010881 /nfs/dbraw/zinc/01/08/81/435010881.db2.gz ULXXKDPSEVRYIQ-IPLHWJFFSA-N 0 0 323.396 3.010 20 10 DGCDRN CCN(C(=O)C=Cc1c[nH]cn1)c1ccc(Br)cc1 ZINC000492853218 435061822 /nfs/dbraw/zinc/06/18/22/435061822.db2.gz BDYQYXYLCMLGPT-VMPITWQZSA-N 0 0 320.190 3.239 20 10 DGCDRN COc1ccc2c(c1)CCN2C(=O)/C=C\c1scnc1C ZINC000492686049 435034931 /nfs/dbraw/zinc/03/49/31/435034931.db2.gz ZIQWOBLSNUIJCI-WAYWQWQTSA-N 0 0 300.383 3.063 20 10 DGCDRN O=C(/C=C/c1ccc(Cl)nc1)N1CCOCc2ccccc21 ZINC000492703466 435037604 /nfs/dbraw/zinc/03/76/04/435037604.db2.gz IJDWPEIDGFDTDB-SOFGYWHQSA-N 0 0 314.772 3.312 20 10 DGCDRN CC(=O)Nc1cccc2c1CCCN2C(=O)/C=C\c1cccnc1 ZINC000491237136 435720398 /nfs/dbraw/zinc/72/03/98/435720398.db2.gz ONZJLYNYZAECHN-KTKRTIGZSA-N 0 0 321.380 3.033 20 10 DGCDRN O=C(/C=C\c1cnccn1)N1CCCc2cc(Cl)cc(F)c21 ZINC000491639118 435784135 /nfs/dbraw/zinc/78/41/35/435784135.db2.gz IJVSWQCVEFUGKX-ARJAWSKDSA-N 0 0 317.751 3.262 20 10 DGCDRN CC(C)OC[C@H](O)COc1ccc2c(c1)c1c(n2C)CCCC1 ZINC000647164259 435957433 /nfs/dbraw/zinc/95/74/33/435957433.db2.gz NOQOGAOINQXHFE-AWEZNQCLSA-N 0 0 317.429 3.222 20 10 DGCDRN Cc1ccc(/C=C\C(=O)N(CC(F)(F)F)c2ccccn2)cn1 ZINC000492473807 301480661 /nfs/dbraw/zinc/48/06/61/301480661.db2.gz NMHHIWZLZARBAB-FPLPWBNLSA-N 0 0 321.302 3.394 20 10 DGCDRN COc1cccc(CNC(=O)[C@H](C)Cc2ccccc2C)c1O ZINC000528863425 313101837 /nfs/dbraw/zinc/10/18/37/313101837.db2.gz WHHVOZQRVOHZNB-CQSZACIVSA-N 0 0 313.397 3.204 20 10 DGCDRN C[C@](O)(C[NH2+]Cc1cc(Cl)c(F)cc1[O-])c1cccs1 ZINC000293547774 335108852 /nfs/dbraw/zinc/10/88/52/335108852.db2.gz GSPBSOWXAZFXEK-AWEZNQCLSA-N 0 0 315.797 3.244 20 10 DGCDRN COc1cccc(CNC(=O)c2ccc(C(C)C)nc2C)c1O ZINC000293716605 335112565 /nfs/dbraw/zinc/11/25/65/335112565.db2.gz OACQIVRBIXTHGP-UHFFFAOYSA-N 0 0 314.385 3.158 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1CC2(CCC2)C1 ZINC000569928826 332694511 /nfs/dbraw/zinc/69/45/11/332694511.db2.gz IDJXBYYMSIGOGD-UHFFFAOYSA-N 0 0 300.402 3.058 20 10 DGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc2n[nH]cc2c1 ZINC000526934401 336275519 /nfs/dbraw/zinc/27/55/19/336275519.db2.gz OCMYXYKFWVOQAZ-UHFFFAOYSA-N 0 0 318.380 3.293 20 10 DGCDRN O=C(C=Cc1c[nH]cn1)N1CCCc2cc(OC(F)F)ccc21 ZINC000492860588 339910927 /nfs/dbraw/zinc/91/09/27/339910927.db2.gz IHHLZLQWXIGNBY-ZZXKWVIFSA-N 0 0 319.311 3.004 20 10 DGCDRN O=C(C=Cc1cccnc1)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000184376931 340492404 /nfs/dbraw/zinc/49/24/04/340492404.db2.gz WOQURMJHOSFACK-VIIAAUOXSA-N 0 0 304.349 3.202 20 10 DGCDRN CC(=O)c1ccc(NC(=O)c2ccc(C3=S=CC=C3)o2)cc1 ZINC000543042352 341029148 /nfs/dbraw/zinc/02/91/48/341029148.db2.gz AMTAPUFCOILEJC-UHFFFAOYSA-N 0 0 311.362 3.360 20 10 DGCDRN C[C@H]1CC[C@H](CC(=O)N2CCOc3cc(N(C)C)ccc32)C1 ZINC000132482164 341124330 /nfs/dbraw/zinc/12/43/30/341124330.db2.gz FOMLPAOJANRBLM-KBPBESRZSA-N 0 0 302.418 3.304 20 10 DGCDRN C[C@H](NCc1ccccc1O)c1nc(-c2cccc(F)c2)no1 ZINC000174668184 533934945 /nfs/dbraw/zinc/93/49/45/533934945.db2.gz RGQIFYAQXUTOIE-NSHDSACASA-N 0 0 313.332 3.432 20 10 DGCDRN CS[C@H](C)CCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000358400850 534035378 /nfs/dbraw/zinc/03/53/78/534035378.db2.gz DHMOZXIWCJVZSG-GFCCVEGCSA-N 0 0 308.447 3.010 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC1CCC1 ZINC000266701925 519655123 /nfs/dbraw/zinc/65/51/23/519655123.db2.gz GQOHYUDDEVNHBS-UHFFFAOYSA-N 0 0 303.450 3.473 20 10 DGCDRN CC(C)c1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)no1 ZINC000120348117 519831198 /nfs/dbraw/zinc/83/11/98/519831198.db2.gz UTZKLGJPUCTAPV-UHFFFAOYSA-N 0 0 301.390 3.136 20 10 DGCDRN CC(C)c1ncc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)s1 ZINC000183470928 519873624 /nfs/dbraw/zinc/87/36/24/519873624.db2.gz RHIAMTNBFQISCV-SNVBAGLBSA-N 0 0 320.414 3.039 20 10 DGCDRN Oc1ccc(F)cc1CN1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000180059333 534454411 /nfs/dbraw/zinc/45/44/11/534454411.db2.gz PZVXIEYYVUKJBL-QGZVFWFLSA-N 0 0 323.314 3.383 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](C)CCCOC)cc1 ZINC000182522610 520901390 /nfs/dbraw/zinc/90/13/90/520901390.db2.gz PATDLWANGPRDKE-HNNXBMFYSA-N 0 0 306.450 3.212 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCCSC1 ZINC000267286712 521317144 /nfs/dbraw/zinc/31/71/44/521317144.db2.gz HZSMDEPKHOERDL-HNNXBMFYSA-N 0 0 321.490 3.180 20 10 DGCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H](C)C3)ccc21 ZINC000264223163 522057993 /nfs/dbraw/zinc/05/79/93/522057993.db2.gz WJBQYETVDVBSIN-ZDUSSCGKSA-N 0 0 314.429 3.387 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)C[C@@H]2CCCCO2)C2CC2)cc1 ZINC000268006959 522164044 /nfs/dbraw/zinc/16/40/44/522164044.db2.gz XVZKHZJYRROEQJ-SFHVURJKSA-N 0 0 316.445 3.203 20 10 DGCDRN CC[C@H](CNC(=O)Cc1ccc(N)cc1)Oc1cccc(C)c1 ZINC000262642538 522175085 /nfs/dbraw/zinc/17/50/85/522175085.db2.gz SCAOTCOTXXIPKT-QGZVFWFLSA-N 0 0 312.413 3.094 20 10 DGCDRN COc1cc(C)c(NCc2cc(OC)c(OC)cc2O)cc1F ZINC000187483437 522214272 /nfs/dbraw/zinc/21/42/72/522214272.db2.gz JAKTWMJHRMUHLL-UHFFFAOYSA-N 0 0 321.348 3.478 20 10 DGCDRN COc1cc(Cl)cc(CN(CCO)c2ccccc2)c1O ZINC000191970265 522538378 /nfs/dbraw/zinc/53/83/78/522538378.db2.gz PMNSLBWJGQVNJB-UHFFFAOYSA-N 0 0 307.777 3.053 20 10 DGCDRN COCc1cccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000248103728 523025982 /nfs/dbraw/zinc/02/59/82/523025982.db2.gz IDKZCZUTOLPLQC-UHFFFAOYSA-N 0 0 312.413 3.171 20 10 DGCDRN CC[C@@H](c1ccncc1)N(CC)C(=O)c1cccc(O)c1O ZINC000185712929 523127515 /nfs/dbraw/zinc/12/75/15/523127515.db2.gz VWJHVXLBIRIOMM-AWEZNQCLSA-N 0 0 300.358 3.106 20 10 DGCDRN CCn1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cn1 ZINC000265100718 523325966 /nfs/dbraw/zinc/32/59/66/523325966.db2.gz SBJCBNKSDKWUDA-UHFFFAOYSA-N 0 0 314.433 3.020 20 10 DGCDRN CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CCc2ccccc2C1 ZINC000180781917 523773529 /nfs/dbraw/zinc/77/35/29/523773529.db2.gz ABTMRDKXSZZKOB-ZBZNSMLMSA-N 0 0 323.392 3.127 20 10 DGCDRN CC[C@H](C)CN(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000127980940 523862576 /nfs/dbraw/zinc/86/25/76/523862576.db2.gz TUTZAOXOSUJHKA-HNNXBMFYSA-N 0 0 301.434 3.250 20 10 DGCDRN CCc1ccc([C@@H](COC)NCc2ccc(N(C)C)cc2)o1 ZINC000174479269 524032232 /nfs/dbraw/zinc/03/22/32/524032232.db2.gz SUJXVYSHKLPBIK-QGZVFWFLSA-N 0 0 302.418 3.385 20 10 DGCDRN C[C@H](CCc1ccccc1F)C(=O)NCc1ccc(O)c(O)c1 ZINC000158995667 524251005 /nfs/dbraw/zinc/25/10/05/524251005.db2.gz CGMDLRNBCQZFJE-GFCCVEGCSA-N 0 0 317.360 3.122 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C/c2cnn(C)c2C)cc1Cl ZINC000128365740 524338418 /nfs/dbraw/zinc/33/84/18/524338418.db2.gz GSISPJRFGCTIJR-VMPITWQZSA-N 0 0 319.792 3.067 20 10 DGCDRN COc1ccc(N(C)C[C@@H](O)c2ccc(F)cc2)c(OC)c1 ZINC000269762264 524353981 /nfs/dbraw/zinc/35/39/81/524353981.db2.gz CFAPKWPQTYAFJR-MRXNPFEDSA-N 0 0 305.349 3.013 20 10 DGCDRN COc1ccc(N(Cc2cc(=O)c(O)co2)[C@@H](C)C2CC2)cc1 ZINC000124745713 524367322 /nfs/dbraw/zinc/36/73/22/524367322.db2.gz IUXZOFQUKMJLKX-LBPRGKRZSA-N 0 0 315.369 3.159 20 10 DGCDRN Cc1cc(C)cc(OCCC(=O)NCCc2ccc(N)cc2)c1 ZINC000237839134 524444119 /nfs/dbraw/zinc/44/41/19/524444119.db2.gz IPLQDDZTEITNCH-UHFFFAOYSA-N 0 0 312.413 3.013 20 10 DGCDRN Cc1ccc(C[C@@H](C)NC(=O)NCc2ccccc2O)s1 ZINC000265774401 524661713 /nfs/dbraw/zinc/66/17/13/524661713.db2.gz HXJBWEFMKHDGKM-LLVKDONJSA-N 0 0 304.415 3.193 20 10 DGCDRN COc1ccc(O)c(CN2C[C@H](C)OC[C@H]2c2ccccc2)c1 ZINC000180443473 524750452 /nfs/dbraw/zinc/75/04/52/524750452.db2.gz PVBMZKRVASENFX-KSSFIOAISA-N 0 0 313.397 3.363 20 10 DGCDRN Cc1cccc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)c1 ZINC000187061497 524808317 /nfs/dbraw/zinc/80/83/17/524808317.db2.gz IEOUBYLZARLNJC-UHFFFAOYSA-N 0 0 305.399 3.427 20 10 DGCDRN C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccccn1 ZINC000125150826 525214662 /nfs/dbraw/zinc/21/46/62/525214662.db2.gz YXTDXJPUEQSBSP-OAHLLOKOSA-N 0 0 322.412 3.018 20 10 DGCDRN C[C@@H](c1nnnn1C1CCCCC1)N(C)Cc1ccccc1O ZINC000189663366 526191051 /nfs/dbraw/zinc/19/10/51/526191051.db2.gz WPDVHYCOZLZVMB-ZDUSSCGKSA-N 0 0 315.421 3.077 20 10 DGCDRN C[C@H](c1nnnn1C1CCCCC1)N(C)Cc1ccccc1O ZINC000189663385 526193657 /nfs/dbraw/zinc/19/36/57/526193657.db2.gz WPDVHYCOZLZVMB-CYBMUJFWSA-N 0 0 315.421 3.077 20 10 DGCDRN Cc1csc([C@@H](NC(=O)c2ccc(C)c(O)c2O)C2CC2)n1 ZINC000179517671 526415724 /nfs/dbraw/zinc/41/57/24/526415724.db2.gz ZTAUVERYRLVRPA-LBPRGKRZSA-N 0 0 318.398 3.052 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCCCC[C@H]1c1ccncc1 ZINC000188192691 526771196 /nfs/dbraw/zinc/77/11/96/526771196.db2.gz IKLUVTZKNNDFIS-HNNXBMFYSA-N 0 0 312.369 3.250 20 10 DGCDRN Nc1ccc(CC(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000157814470 527477124 /nfs/dbraw/zinc/47/71/24/527477124.db2.gz UIMTWLDSIXORDN-HNNXBMFYSA-N 0 0 314.816 3.481 20 10 DGCDRN Nc1ccc(CC(=O)Nc2ccc(F)cc2OCC2CC2)cc1 ZINC000237917212 527478460 /nfs/dbraw/zinc/47/84/60/527478460.db2.gz ONPNPLSLEOXXFS-UHFFFAOYSA-N 0 0 314.360 3.378 20 10 DGCDRN Nc1ccc(CC(=O)Nc2cccc(COCC3CC3)c2)cc1 ZINC000237925385 527479253 /nfs/dbraw/zinc/47/92/53/527479253.db2.gz SWDWEWDMGOJFJL-UHFFFAOYSA-N 0 0 310.397 3.377 20 10 DGCDRN Cn1nc(C2CCCCC2)cc1NC(=O)Cc1ccc(N)cc1 ZINC000237826223 527551703 /nfs/dbraw/zinc/55/17/03/527551703.db2.gz TWBZFMWULAEGLG-UHFFFAOYSA-N 0 0 312.417 3.231 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccncc2F)cc1F ZINC000133251463 528306605 /nfs/dbraw/zinc/30/66/05/528306605.db2.gz KFLJRFLSLVOLJN-UHFFFAOYSA-N 0 0 319.355 3.136 20 10 DGCDRN CC[C@H](C)[C@H](OC)C(=O)NCc1c(C)c2ccccc2n1C ZINC000357144355 529265347 /nfs/dbraw/zinc/26/53/47/529265347.db2.gz AOIHDRJGQTXKGQ-SJCJKPOMSA-N 0 0 302.418 3.164 20 10 DGCDRN CCC[C@@]1(C)NC(=O)N(c2cc(Cl)c(N)c(Cl)c2)C1=O ZINC000277960624 535554479 /nfs/dbraw/zinc/55/44/79/535554479.db2.gz HXLCQZSIUZZVQH-CYBMUJFWSA-N 0 0 316.188 3.191 20 10 DGCDRN CC[C@](C)(OC)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000280769239 535863518 /nfs/dbraw/zinc/86/35/18/535863518.db2.gz ROTCXBGWSWJRBI-IBGZPJMESA-N 0 0 318.461 3.354 20 10 DGCDRN CC[C@@H]1C[C@@H](CC(=O)NCc2ccc(N(C)C)c(F)c2)CCO1 ZINC000272759019 535875201 /nfs/dbraw/zinc/87/52/01/535875201.db2.gz PEPGOUOCUKYJLA-DZGCQCFKSA-N 0 0 322.424 3.103 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc(F)cc1[O-] ZINC000285890109 535907750 /nfs/dbraw/zinc/90/77/50/535907750.db2.gz CFGZYUGQXSJKTC-DOTOQJQBSA-N 0 0 307.340 3.445 20 10 DGCDRN CC[C@](C)(CNC(=O)NCc1c(C)c2ccccc2n1C)OC ZINC000454875399 536185988 /nfs/dbraw/zinc/18/59/88/536185988.db2.gz NJNLXZJIQOATFH-GOSISDBHSA-N 0 0 317.433 3.101 20 10 DGCDRN COc1ccccc1C(=O)NCc1c(C)c2ccccc2n1C ZINC000471222606 536997619 /nfs/dbraw/zinc/99/76/19/536997619.db2.gz JHOMYAHHPXWHBN-UHFFFAOYSA-N 0 0 308.381 3.425 20 10 DGCDRN COc1ccc2c(c1)[C@H](C(=O)NCc1ccc(N(C)C)cc1)CC2 ZINC000277147029 537009750 /nfs/dbraw/zinc/00/97/50/537009750.db2.gz AKPHSFHIWNYAPQ-GOSISDBHSA-N 0 0 324.424 3.107 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)N1CCc2ccccc21 ZINC000182925885 546169892 /nfs/dbraw/zinc/16/98/92/546169892.db2.gz ZSCJRQXEVWUNNU-UHFFFAOYSA-N 0 0 323.396 3.134 20 10 DGCDRN Cc1nc(C(C)(C)NCc2ccc(N3CCCCC3)cc2)no1 ZINC000264256210 546342357 /nfs/dbraw/zinc/34/23/57/546342357.db2.gz CLUNSOBSKNYYPR-UHFFFAOYSA-N 0 0 314.433 3.393 20 10 DGCDRN COC[C@H](NCc1ccc(N(C)C)c(C)c1)c1ccc(C)o1 ZINC000294729583 546424021 /nfs/dbraw/zinc/42/40/21/546424021.db2.gz WDZUVFZWHBOPKH-INIZCTEOSA-N 0 0 302.418 3.440 20 10 DGCDRN Cc1cc(C(=O)O[C@@H]2CCOC2)c(C)n1-c1ccc(F)cc1 ZINC000730400688 574528740 /nfs/dbraw/zinc/52/87/40/574528740.db2.gz NHQGFLRPEGEDCO-OAHLLOKOSA-N 0 0 303.333 3.179 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1cocn1 ZINC000730803104 574536381 /nfs/dbraw/zinc/53/63/81/574536381.db2.gz MGPYMQDHDDPUEQ-UHFFFAOYSA-N 0 0 301.371 3.074 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000731863962 574560294 /nfs/dbraw/zinc/56/02/94/574560294.db2.gz HHHFHFLDROMGMJ-UHFFFAOYSA-N 0 0 322.817 3.070 20 10 DGCDRN O=C(NCCSCc1ccccc1F)C1=CC(=O)CS1 ZINC000731864298 574560566 /nfs/dbraw/zinc/56/05/66/574560566.db2.gz QFQTZUVJKPGQNP-UHFFFAOYSA-N 0 0 311.403 3.256 20 10 DGCDRN CC(C)c1ocnc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000731875367 574560920 /nfs/dbraw/zinc/56/09/20/574560920.db2.gz ZNJZHCDMKBLJHR-UHFFFAOYSA-N 0 0 301.390 3.136 20 10 DGCDRN Cc1cc(C(=O)N(C)Cc2ncc[nH]2)c(C)n1-c1cccc(C)c1 ZINC000731880834 574561139 /nfs/dbraw/zinc/56/11/39/574561139.db2.gz ZESBXDKQAPODHM-UHFFFAOYSA-N 0 0 322.412 3.398 20 10 DGCDRN Cc1ccc(C)c(NC(=O)[C@H](C)OC(=O)C2=CC(=O)CS2)c1 ZINC000731909670 574561748 /nfs/dbraw/zinc/56/17/48/574561748.db2.gz INJHOJUNUVLKJV-NSHDSACASA-N 0 0 319.382 3.255 20 10 DGCDRN C[C@H](OC(=O)C1=CC(=O)CS1)c1nc2ccccc2c(=O)[nH]1 ZINC000731909222 574561935 /nfs/dbraw/zinc/56/19/35/574561935.db2.gz DAMILFQWBCQHKQ-QMMMGPOBSA-N 0 0 316.338 3.021 20 10 DGCDRN CC(C)c1ocnc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000731982103 574563945 /nfs/dbraw/zinc/56/39/45/574563945.db2.gz XINMONWXJXPHII-UHFFFAOYSA-N 0 0 313.401 3.110 20 10 DGCDRN CCn1ccnc1CN(Cc1ccco1)Cc1ccccc1O ZINC000732202526 574567621 /nfs/dbraw/zinc/56/76/21/574567621.db2.gz VBBNCJCLNLDHHS-UHFFFAOYSA-N 0 0 311.385 3.404 20 10 DGCDRN Cc1cnc(CN(Cc2ccco2)Cc2ccccc2O)cn1 ZINC000732202477 574567840 /nfs/dbraw/zinc/56/78/40/574567840.db2.gz RTMUWNJWMQNEBC-UHFFFAOYSA-N 0 0 309.369 3.286 20 10 DGCDRN O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)C1=CC(=O)CS1 ZINC000732267771 574569577 /nfs/dbraw/zinc/56/95/77/574569577.db2.gz VHTNIWCWFBYFSK-AWEZNQCLSA-N 0 0 319.382 3.264 20 10 DGCDRN COc1cccc(C2CCN(C(=O)C3=CC(=O)CS3)CC2)c1 ZINC000732279389 574570333 /nfs/dbraw/zinc/57/03/33/574570333.db2.gz LLPRXZFFWXIJGQ-UHFFFAOYSA-N 0 0 317.410 3.482 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCCO[C@H](c2ccccc2)C1 ZINC000732288357 574570990 /nfs/dbraw/zinc/57/09/90/574570990.db2.gz QNTKCJYKECPUOX-AWEZNQCLSA-N 0 0 303.383 3.058 20 10 DGCDRN CC[C@@H](OC1CCCC1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000733126553 574598898 /nfs/dbraw/zinc/59/88/98/574598898.db2.gz VMHVZAIQXVEBRK-GOSISDBHSA-N 0 0 318.461 3.449 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccn(C(C)C)n1 ZINC000733142027 574599588 /nfs/dbraw/zinc/59/95/88/574599588.db2.gz NJAIRNYZRXVVAM-UHFFFAOYSA-N 0 0 314.433 3.192 20 10 DGCDRN CCc1cc(NC2CCN(c3ccc(OC)cc3)CC2)ncn1 ZINC000733191303 574606911 /nfs/dbraw/zinc/60/69/11/574606911.db2.gz VLRRXAPQAVCNOI-UHFFFAOYSA-N 0 0 312.417 3.129 20 10 DGCDRN Cc1cc(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]n1 ZINC000733288117 574612821 /nfs/dbraw/zinc/61/28/21/574612821.db2.gz ZYUMUZHWCKKBKF-UHFFFAOYSA-N 0 0 308.385 3.056 20 10 DGCDRN CCN(CC)c1ccc(CN[C@@H](C)C(=O)OC(C)(C)C)cc1 ZINC000733334676 574616715 /nfs/dbraw/zinc/61/67/15/574616715.db2.gz PRRHQMXEWKXQJL-AWEZNQCLSA-N 0 0 306.450 3.353 20 10 DGCDRN Cc1cc(C(=O)OCCCCO)c(C)n1-c1ccc(F)cc1 ZINC000733382965 574619194 /nfs/dbraw/zinc/61/91/94/574619194.db2.gz RXMWBQVMSJSKBQ-UHFFFAOYSA-N 0 0 305.349 3.163 20 10 DGCDRN COC[C@H](C)OC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000733705399 574635139 /nfs/dbraw/zinc/63/51/39/574635139.db2.gz WPBFKVDYNADISI-LBPRGKRZSA-N 0 0 305.349 3.425 20 10 DGCDRN COc1ccc(O)c(CNC(=S)N[C@@H](C)c2ccccc2)c1 ZINC000733905634 574642534 /nfs/dbraw/zinc/64/25/34/574642534.db2.gz BQURKHLZJPMWBA-LBPRGKRZSA-N 0 0 316.426 3.126 20 10 DGCDRN COc1ccc(O)c(CNC(=S)N[C@@H](C)c2cccs2)c1 ZINC000733906426 574642656 /nfs/dbraw/zinc/64/26/56/574642656.db2.gz LRIKQBBCMGISLD-JTQLQIEISA-N 0 0 322.455 3.188 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2csc(C(C)(C)C)n2)c1 ZINC000734016178 574648164 /nfs/dbraw/zinc/64/81/64/574648164.db2.gz DXGXTIGBWDBZOW-UHFFFAOYSA-N 0 0 320.414 3.085 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@@H](C)c2ccc(C)s2)c1 ZINC000734065806 574649742 /nfs/dbraw/zinc/64/97/42/574649742.db2.gz IHBKROAKDYAUFQ-NSHDSACASA-N 0 0 320.414 3.331 20 10 DGCDRN C[C@@H](NC(=O)[C@H](C)C(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000734390268 574660363 /nfs/dbraw/zinc/66/03/63/574660363.db2.gz QEOXETLSZYURBQ-LSDHHAIUSA-N 0 0 318.461 3.383 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)c1ccccn1 ZINC000734522238 574666104 /nfs/dbraw/zinc/66/61/04/574666104.db2.gz MGUHRXPOOCWGFH-AWEZNQCLSA-N 0 0 312.417 3.016 20 10 DGCDRN O=C(N[C@@H](c1ccccc1)C1CCOCC1)C1=CC(=O)CS1 ZINC000734555024 574667214 /nfs/dbraw/zinc/66/72/14/574667214.db2.gz PTDKUZKURSWEGW-INIZCTEOSA-N 0 0 317.410 3.351 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)c(O)c1C ZINC000734557788 574667230 /nfs/dbraw/zinc/66/72/30/574667230.db2.gz JMVPURPDPMWDAZ-UHFFFAOYSA-N 0 0 312.413 3.313 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H]1C(C)C ZINC000734687120 574672494 /nfs/dbraw/zinc/67/24/94/574672494.db2.gz JAXUHEOMNPFLPF-QGZVFWFLSA-N 0 0 303.450 3.391 20 10 DGCDRN O=C(OCc1cc([N+](=O)[O-])ccc1Cl)C1=CC(=O)CS1 ZINC000735536925 574705792 /nfs/dbraw/zinc/70/57/92/574705792.db2.gz UHNGYUVCGCWRHK-UHFFFAOYSA-N 0 0 313.718 3.372 20 10 DGCDRN CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)NCc1ccccc1O ZINC000735754727 574714143 /nfs/dbraw/zinc/71/41/43/574714143.db2.gz AFGYNHCHFOLFME-ZBFHGGJFSA-N 0 0 320.433 3.033 20 10 DGCDRN CCOc1ccc(N(C)C[C@H](O)COc2ccc(F)cc2)cc1 ZINC000739923159 574915913 /nfs/dbraw/zinc/91/59/13/574915913.db2.gz YKDBUSNNPOPEMI-INIZCTEOSA-N 0 0 319.376 3.101 20 10 DGCDRN CCOc1ccc(N(C)C[C@@H](O)COc2ccccc2C)cc1 ZINC000739923008 574915944 /nfs/dbraw/zinc/91/59/44/574915944.db2.gz AZLWYRQIRYFUGI-QGZVFWFLSA-N 0 0 315.413 3.270 20 10 DGCDRN CCOc1ccc(N(C)Cc2cc(C(=O)OC)c(C)o2)cc1 ZINC000739922310 574915947 /nfs/dbraw/zinc/91/59/47/574915947.db2.gz GMGIXRRHQSIIFO-UHFFFAOYSA-N 0 0 303.358 3.410 20 10 DGCDRN C[C@@H]1CC(NC(=O)NCc2ccc(N(C)C)cc2)C[C@@H](C)C1 ZINC000740023193 574919077 /nfs/dbraw/zinc/91/90/77/574919077.db2.gz OCWPJUHXIBNRRF-KBPBESRZSA-N 0 0 303.450 3.377 20 10 DGCDRN Cc1cc(C(=O)NCC2(O)CCC2)c(C)n1-c1cccc(C)c1 ZINC000740724792 574940803 /nfs/dbraw/zinc/94/08/03/574940803.db2.gz OWPQKWYCUVEOCO-UHFFFAOYSA-N 0 0 312.413 3.047 20 10 DGCDRN Cc1ccc(C(=O)OCCOC2CCCCCC2)c(O)c1O ZINC000740957955 574946782 /nfs/dbraw/zinc/94/67/82/574946782.db2.gz OMUNGFKHGPGVCL-UHFFFAOYSA-N 0 0 308.374 3.302 20 10 DGCDRN CCCOC(=O)[C@H](C)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000741774397 574969500 /nfs/dbraw/zinc/96/95/00/574969500.db2.gz BGGMHAUFKKXMMN-INIZCTEOSA-N 0 0 318.461 3.450 20 10 DGCDRN COc1cc(N(C)C[C@H]2CC2(Cl)Cl)cc(OC)c1OC ZINC000741805322 574972175 /nfs/dbraw/zinc/97/21/75/574972175.db2.gz GESKBMDRJPTAMF-SECBINFHSA-N 0 0 320.216 3.342 20 10 DGCDRN Cc1ccc([C@H](C)C(=O)NCCCSc2nccs2)o1 ZINC000742669559 575011928 /nfs/dbraw/zinc/01/19/28/575011928.db2.gz PPCCIBOJZMPOTB-NSHDSACASA-N 0 0 310.444 3.447 20 10 DGCDRN Cn1cccc1CNC(=S)Nc1ccc(OC(F)F)cc1 ZINC000743061616 575033661 /nfs/dbraw/zinc/03/36/61/575033661.db2.gz MLPWTUGFFTUKHD-UHFFFAOYSA-N 0 0 311.357 3.113 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCCS2)cc1 ZINC000743290215 575042128 /nfs/dbraw/zinc/04/21/28/575042128.db2.gz DOZSJOCELBMJJV-MRXNPFEDSA-N 0 0 306.475 3.387 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)c2ccc(C)o2)c1 ZINC000743335922 575043648 /nfs/dbraw/zinc/04/36/48/575043648.db2.gz DCGMBSFWGKEMRO-RYUDHWBXSA-N 0 0 303.358 3.283 20 10 DGCDRN Oc1cc2c(cc1CN1CC[C@@H]1c1cccc(F)c1)OCO2 ZINC000743388442 575048506 /nfs/dbraw/zinc/04/85/06/575048506.db2.gz DNQCMDVEZWKENY-CQSZACIVSA-N 0 0 301.317 3.207 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CC[C@H](SC)C2)c1 ZINC000743680502 575060818 /nfs/dbraw/zinc/06/08/18/575060818.db2.gz CHDUJBCNSBSAHM-LOWVWBTDSA-N 0 0 324.446 3.045 20 10 DGCDRN C[C@@H](CNC(=O)C1=CC(=O)CS1)Oc1ccccc1Cl ZINC000743717342 575062132 /nfs/dbraw/zinc/06/21/32/575062132.db2.gz AVEODYRHGXIGHI-VIFPVBQESA-N 0 0 311.790 3.304 20 10 DGCDRN CC[C@@H](OC)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000743749717 575062375 /nfs/dbraw/zinc/06/23/75/575062375.db2.gz JTLWOZIUVCDANZ-GOSISDBHSA-N 0 0 314.429 3.178 20 10 DGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cc(Cl)ccn1 ZINC000743719831 575062492 /nfs/dbraw/zinc/06/24/92/575062492.db2.gz WJJLPQTYDPLRIY-UHFFFAOYSA-N 0 0 316.788 3.249 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)OCCC(C)C)c1 ZINC000728981829 575199171 /nfs/dbraw/zinc/19/91/71/575199171.db2.gz FLWWOTSJYGFYBE-CHWSQXEVSA-N 0 0 309.406 3.029 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)CSCCC(C)C)c1 ZINC000728981816 575199329 /nfs/dbraw/zinc/19/93/29/575199329.db2.gz FCMJVHNEVQWAHF-LBPRGKRZSA-N 0 0 311.447 3.357 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc3c2ccn3C)c1 ZINC000729534968 575254862 /nfs/dbraw/zinc/25/48/62/575254862.db2.gz GUDBOBJBJUHVCR-GFCCVEGCSA-N 0 0 324.380 3.384 20 10 DGCDRN O=C(NCc1ccccc1O)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000730078605 575275099 /nfs/dbraw/zinc/27/50/99/575275099.db2.gz OIXDCFWYPRUUDH-UHFFFAOYSA-N 0 0 317.295 3.136 20 10 DGCDRN Cc1cc(C(=O)OCCn2cccn2)c(C)n1-c1cccc(C)c1 ZINC000744479885 575345844 /nfs/dbraw/zinc/34/58/44/575345844.db2.gz CFEWKUJTYKEBRU-UHFFFAOYSA-N 0 0 323.396 3.456 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ncoc2C)cc1 ZINC000745759623 575415750 /nfs/dbraw/zinc/41/57/50/575415750.db2.gz FAATWFLIDCBOFC-UHFFFAOYSA-N 0 0 301.390 3.101 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c1 ZINC000745819824 575418749 /nfs/dbraw/zinc/41/87/49/575418749.db2.gz GUIFUAVQWOJLOS-HZPDHXFCSA-N 0 0 318.417 3.169 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H](C)[C@@H]1C ZINC000745826396 575419445 /nfs/dbraw/zinc/41/94/45/575419445.db2.gz AHYHEQOSCWOCCO-ZFWWWQNUSA-N 0 0 303.450 3.391 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2oc(C)nc2C)cc1 ZINC000746104837 575432542 /nfs/dbraw/zinc/43/25/42/575432542.db2.gz FHWBVRVNRJGEBI-UHFFFAOYSA-N 0 0 315.417 3.410 20 10 DGCDRN CCN(CC(=O)Nc1ccc(Cl)cn1)c1ccc(OC)cc1 ZINC000746108996 575432602 /nfs/dbraw/zinc/43/26/02/575432602.db2.gz HDYVTKBGPOLKAR-UHFFFAOYSA-N 0 0 319.792 3.209 20 10 DGCDRN Cc1cc(C(=O)N[C@H](C)CCO)c(C)n1-c1cc(C)cc(C)c1 ZINC000746227761 575441050 /nfs/dbraw/zinc/44/10/50/575441050.db2.gz UZSLOOYXAICTEB-CQSZACIVSA-N 0 0 314.429 3.212 20 10 DGCDRN COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1SC ZINC000746361838 575448275 /nfs/dbraw/zinc/44/82/75/575448275.db2.gz LPSVPKQVCDTZJU-YRNVUSSQSA-N 0 0 311.453 3.248 20 10 DGCDRN C/C=C\c1ccc(OCC(=O)Nc2ccc(N)cc2)c(OC)c1 ZINC000746479323 575454763 /nfs/dbraw/zinc/45/47/63/575454763.db2.gz RWDCXENWPYLYSC-ARJAWSKDSA-N 0 0 312.369 3.328 20 10 DGCDRN COc1ccccc1-c1cc(C(=O)Nc2ccc(N)cc2)no1 ZINC000746479719 575454857 /nfs/dbraw/zinc/45/48/57/575454857.db2.gz FFCLROCGJMUQNT-UHFFFAOYSA-N 0 0 309.325 3.185 20 10 DGCDRN COc1ccc(N(CC(=O)N2CCCC[C@H]2C)C(C)C)cc1F ZINC000746667065 575468721 /nfs/dbraw/zinc/46/87/21/575468721.db2.gz UWIYGAMZRSNEPX-CQSZACIVSA-N 0 0 322.424 3.450 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(OC)cs1 ZINC000746839362 575478267 /nfs/dbraw/zinc/47/82/67/575478267.db2.gz WUMQCACTSKRUDR-UHFFFAOYSA-N 0 0 318.442 3.485 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1[nH]cnc1C ZINC000747170228 575502849 /nfs/dbraw/zinc/50/28/49/575502849.db2.gz CGBOHIXABKXMBI-UHFFFAOYSA-N 0 0 322.412 3.364 20 10 DGCDRN COc1ccc(N(C)Cc2ccc([N+](=O)[O-])cc2F)cc1OC ZINC000747528401 575522968 /nfs/dbraw/zinc/52/29/68/575522968.db2.gz KWENRLTZMHKFHU-UHFFFAOYSA-N 0 0 320.320 3.388 20 10 DGCDRN CCN(C[C@@H](O)COc1ccccc1F)c1ccc(OC)cc1 ZINC000747681644 575532182 /nfs/dbraw/zinc/53/21/82/575532182.db2.gz DWZOKOBDOXRAIA-OAHLLOKOSA-N 0 0 319.376 3.101 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cc(F)ccc1O ZINC000748023672 575556498 /nfs/dbraw/zinc/55/64/98/575556498.db2.gz HTTHVQHANKEQPS-UHFFFAOYSA-N 0 0 314.360 3.062 20 10 DGCDRN Cc1cccc2c1C(=O)N[C@H](c1ccc3c(c1)CCCN3C)N2 ZINC000748095596 575561271 /nfs/dbraw/zinc/56/12/71/575561271.db2.gz KFMNQBQYYPGXPQ-GOSISDBHSA-N 0 0 307.397 3.232 20 10 DGCDRN O=C(NCc1ccccc1O)c1cnc(-c2ccccc2)s1 ZINC000748345078 575581218 /nfs/dbraw/zinc/58/12/18/575581218.db2.gz HPOTVACDDWAASK-UHFFFAOYSA-N 0 0 310.378 3.446 20 10 DGCDRN COc1ccc(S[C@H](C)C(=O)NCc2ccccc2O)cc1 ZINC000748345902 575581300 /nfs/dbraw/zinc/58/13/00/575581300.db2.gz QZFFEKYRPOGJQD-GFCCVEGCSA-N 0 0 317.410 3.198 20 10 DGCDRN COc1ccc(S[C@@H](C)C(=O)NCc2ccccc2O)cc1 ZINC000748345904 575581484 /nfs/dbraw/zinc/58/14/84/575581484.db2.gz QZFFEKYRPOGJQD-LBPRGKRZSA-N 0 0 317.410 3.198 20 10 DGCDRN O=C(COc1ccc2ccccc2c1)NCc1ccccc1O ZINC000748353913 575582048 /nfs/dbraw/zinc/58/20/48/575582048.db2.gz RCKNEIDYQFWHBN-UHFFFAOYSA-N 0 0 307.349 3.241 20 10 DGCDRN CC1(C)Oc2ccc(NC(=O)NCc3ccccc3O)cc2O1 ZINC000748441924 575586855 /nfs/dbraw/zinc/58/68/55/575586855.db2.gz DONFNYYBJJAFHJ-UHFFFAOYSA-N 0 0 314.341 3.221 20 10 DGCDRN CCn1ncc2ccc(NC(=O)NCc3ccccc3O)cc21 ZINC000748443002 575587151 /nfs/dbraw/zinc/58/71/51/575587151.db2.gz JVQGWDUNDMMQOI-UHFFFAOYSA-N 0 0 310.357 3.084 20 10 DGCDRN CCOc1cc(F)ccc1NC(=O)NCc1ccccc1O ZINC000748447138 575587561 /nfs/dbraw/zinc/58/75/61/575587561.db2.gz KVTBVJDIPQFIQE-UHFFFAOYSA-N 0 0 304.321 3.252 20 10 DGCDRN COC(=O)/C(C)=C/CN(Cc1ccco1)Cc1ccccc1O ZINC000748818729 575609513 /nfs/dbraw/zinc/60/95/13/575609513.db2.gz XNZGUUOPXBSLIK-NTEUORMPSA-N 0 0 315.369 3.107 20 10 DGCDRN Cc1cc(C(=O)N2CCOCC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000749324507 575645364 /nfs/dbraw/zinc/64/53/64/575645364.db2.gz XOELGRSFSCHBFQ-UHFFFAOYSA-N 0 0 312.413 3.183 20 10 DGCDRN CC[C@H](C)NC(=S)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000749760688 575675984 /nfs/dbraw/zinc/67/59/84/575675984.db2.gz WYCWHWWUHFYEPH-ZFWWWQNUSA-N 0 0 322.474 3.046 20 10 DGCDRN O=C(COc1ccc(N2CCCC2)cc1)NCC1CCCCC1 ZINC000749796003 575678846 /nfs/dbraw/zinc/67/88/46/575678846.db2.gz QATVABZMVAHBCZ-UHFFFAOYSA-N 0 0 316.445 3.362 20 10 DGCDRN COCc1nc(COc2ccc(N3CCCC3)cc2)cs1 ZINC000749792231 575679042 /nfs/dbraw/zinc/67/90/42/575679042.db2.gz ZQEDTHALKWKDED-UHFFFAOYSA-N 0 0 304.415 3.469 20 10 DGCDRN Cc1noc(C)c1[C@@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000749837911 575682689 /nfs/dbraw/zinc/68/26/89/575682689.db2.gz HASOUSDMEZKUJX-GFCCVEGCSA-N 0 0 315.417 3.120 20 10 DGCDRN CCc1nsc(N(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000750017616 575697668 /nfs/dbraw/zinc/69/76/68/575697668.db2.gz WLSBCBRPMRLBTP-UHFFFAOYSA-N 0 0 302.447 3.336 20 10 DGCDRN O=S(=O)(/C=C\c1ccccc1Cl)NCc1ccccc1O ZINC000751151684 575772100 /nfs/dbraw/zinc/77/21/00/575772100.db2.gz UKRHHVFZIVFNLU-KTKRTIGZSA-N 0 0 323.801 3.136 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)C1=COCCC1 ZINC000751308441 575779510 /nfs/dbraw/zinc/77/95/10/575779510.db2.gz XLVNRFZWFFGVDI-UHFFFAOYSA-N 0 0 320.352 3.029 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)[C@H]1C[C@H]1C1CC1 ZINC000751306035 575779522 /nfs/dbraw/zinc/77/95/22/575779522.db2.gz OPGZCXXLYIHWAY-KBPBESRZSA-N 0 0 318.380 3.381 20 10 DGCDRN CN1CCc2cc(/C=C3\N=C(c4ccsc4)OC3=O)ccc21 ZINC000751524080 575788352 /nfs/dbraw/zinc/78/83/52/575788352.db2.gz QUPXWDRVKQRUET-ZROIWOOFSA-N 0 0 310.378 3.085 20 10 DGCDRN CC[C@H](C)OCC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000751753573 575802705 /nfs/dbraw/zinc/80/27/05/575802705.db2.gz FIVOLCIZDRZCSI-HNNXBMFYSA-N 0 0 304.434 3.108 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)Cc2ccccc2O)C2CC2)cc1 ZINC000725883034 575950661 /nfs/dbraw/zinc/95/06/61/575950661.db2.gz LEJLBIKVZOPLIY-UHFFFAOYSA-N 0 0 324.424 3.192 20 10 DGCDRN COc1ccc(OC)c(NC(=S)NNc2cccc(C)c2)c1 ZINC000726435316 576021843 /nfs/dbraw/zinc/02/18/43/576021843.db2.gz OXRLFJYAFCSTNZ-UHFFFAOYSA-N 0 0 317.414 3.326 20 10 DGCDRN COc1ccc(NC(=S)NNc2ccccc2F)cc1F ZINC000726450271 576023444 /nfs/dbraw/zinc/02/34/44/576023444.db2.gz OACMQSQRHVXFBV-UHFFFAOYSA-N 0 0 309.341 3.287 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)NCc2cccc(C)c2)cc1 ZINC000739922933 576051994 /nfs/dbraw/zinc/05/19/94/576051994.db2.gz RYEBEFPLWIMAOH-UHFFFAOYSA-N 0 0 312.413 3.146 20 10 DGCDRN Cc1cc(C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC000738382358 576085532 /nfs/dbraw/zinc/08/55/32/576085532.db2.gz HBVGPAQVZHMYMW-CYBMUJFWSA-N 0 0 305.418 3.295 20 10 DGCDRN Cc1ccc(F)c(C(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000727091524 576106767 /nfs/dbraw/zinc/10/67/67/576106767.db2.gz LAVJKBQZXYXCBY-UHFFFAOYSA-N 0 0 312.388 3.447 20 10 DGCDRN CCSCCOC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000727630347 576134340 /nfs/dbraw/zinc/13/43/40/576134340.db2.gz GTXPGNLRDQEGSN-UHFFFAOYSA-N 0 0 304.415 3.399 20 10 DGCDRN COC(=O)c1ccc(/C=C/c2ccc(N(C)C)c(F)c2)nc1 ZINC000727655410 576136708 /nfs/dbraw/zinc/13/67/08/576136708.db2.gz WINKWMAVUGLSLK-QPJJXVBHSA-N 0 0 300.333 3.244 20 10 DGCDRN CCOc1ccc(N(C)CC(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000740423839 576167015 /nfs/dbraw/zinc/16/70/15/576167015.db2.gz UETVIPFQBJDFLA-GASCZTMLSA-N 0 0 304.434 3.311 20 10 DGCDRN CC[C@H](COC)NC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000738502074 576186773 /nfs/dbraw/zinc/18/67/73/576186773.db2.gz AKKGYOHAAJOPCM-MRXNPFEDSA-N 0 0 321.465 3.099 20 10 DGCDRN CCN(Cc1nccn1CC(F)(F)F)c1ccc(OC)cc1 ZINC000728570080 576188196 /nfs/dbraw/zinc/18/81/96/576188196.db2.gz VWAGLSUAQULEIC-UHFFFAOYSA-N 0 0 313.323 3.481 20 10 DGCDRN CN(C)c1cc(F)c(CN2CCSC[C@H]2C2CC2)cc1F ZINC001659261911 1196363879 /nfs/dbraw/zinc/36/38/79/1196363879.db2.gz DJOKYRLVCXKUIG-INIZCTEOSA-N 0 0 312.429 3.358 20 10 DGCDRN Cc1cc(CN2CCO[C@@H](CC(F)(F)F)C2)ccc1N(C)C ZINC000852741072 620644389 /nfs/dbraw/zinc/64/43/89/620644389.db2.gz VSYVZKZVOQKPOW-AWEZNQCLSA-N 0 0 316.367 3.214 20 10 DGCDRN C[C@@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000916826549 620645950 /nfs/dbraw/zinc/64/59/50/620645950.db2.gz HYOZIQVPKSHKOB-BMIGLBTASA-N 0 0 305.333 3.057 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1c[nH]nc1-c1ccccc1 ZINC000917310459 620664350 /nfs/dbraw/zinc/66/43/50/620664350.db2.gz WZESELPJOWCRQL-UHFFFAOYSA-N 0 0 307.353 3.055 20 10 DGCDRN CCCCNC(=S)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917595042 620677506 /nfs/dbraw/zinc/67/75/06/620677506.db2.gz WRAFDHHSHAKVSX-UHFFFAOYSA-N 0 0 305.491 3.392 20 10 DGCDRN COc1cc(NCc2cccc(OC)c2O)c([N+](=O)[O-])cc1C ZINC000853258964 620682668 /nfs/dbraw/zinc/68/26/68/620682668.db2.gz KHLWZCARCZAPFV-UHFFFAOYSA-N 0 0 318.329 3.238 20 10 DGCDRN CC(C)N(C(=O)C[N@H+](C)Cc1ccccc1O)C1CCCC1 ZINC000111235207 620685003 /nfs/dbraw/zinc/68/50/03/620685003.db2.gz AADMDLLELLNBMX-UHFFFAOYSA-N 0 0 304.434 3.004 20 10 DGCDRN C[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1CC1 ZINC000918059251 620695717 /nfs/dbraw/zinc/69/57/17/620695717.db2.gz NSYNTZCWCJSUQF-CYBMUJFWSA-N 0 0 301.434 3.225 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000918077171 620696340 /nfs/dbraw/zinc/69/63/40/620696340.db2.gz WUOUSXUCMXWSOZ-UONOGXRCSA-N 0 0 318.442 3.189 20 10 DGCDRN CCn1cc(CN(Cc2ccco2)Cc2ccccc2O)cn1 ZINC000154725461 620707799 /nfs/dbraw/zinc/70/77/99/620707799.db2.gz CJFCILBJXANPMR-UHFFFAOYSA-N 0 0 311.385 3.404 20 10 DGCDRN C[C@@]1(C(F)F)CN(Cc2cc3c(cc2O)CCCC3)CCO1 ZINC000853635343 620718299 /nfs/dbraw/zinc/71/82/99/620718299.db2.gz ZLGFYOJUORTWPT-KRWDZBQOSA-N 0 0 311.372 3.127 20 10 DGCDRN COc1ccc(N2CC[C@@H](Nc3ncc(C(F)F)cn3)C2)cc1 ZINC000853761412 620734832 /nfs/dbraw/zinc/73/48/32/620734832.db2.gz SRXXEKVVTASPHV-GFCCVEGCSA-N 0 0 320.343 3.114 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)OCCC(F)(F)F)c1 ZINC000866841823 617604465 /nfs/dbraw/zinc/60/44/65/617604465.db2.gz NTVMASLBXRVCBT-MRVPVSSYSA-N 0 0 307.268 3.140 20 10 DGCDRN Cc1ncccc1/C=C/C(=O)N1CC2(CC2)Oc2ccccc21 ZINC000890619336 617627346 /nfs/dbraw/zinc/62/73/46/617627346.db2.gz PZTLQMLRSRXSMT-CMDGGOBGSA-N 0 0 306.365 3.361 20 10 DGCDRN CC(=O)c1c(C)[nH]c(C(=O)NCc2cccc(Cl)c2O)c1C ZINC000890756443 617655912 /nfs/dbraw/zinc/65/59/12/617655912.db2.gz DDRZGUJMBZXTLX-UHFFFAOYSA-N 0 0 320.776 3.123 20 10 DGCDRN Cc1cnc(C)c(NCc2cc(Br)ccc2O)n1 ZINC000804827965 617680244 /nfs/dbraw/zinc/68/02/44/617680244.db2.gz GBZBMTJTPQYNPA-UHFFFAOYSA-N 0 0 308.179 3.174 20 10 DGCDRN Oc1ccc(Br)cc1CNc1nnc(C2CC2)o1 ZINC000804827144 617680324 /nfs/dbraw/zinc/68/03/24/617680324.db2.gz LTPTWAZJUCZZIA-UHFFFAOYSA-N 0 0 310.151 3.027 20 10 DGCDRN COc1ccc(C[N@H+](C)Cc2cccc(F)c2)c(O)c1OC ZINC000891470873 617810160 /nfs/dbraw/zinc/81/01/60/617810160.db2.gz RLVVBMJBHVGLGI-UHFFFAOYSA-N 0 0 305.349 3.181 20 10 DGCDRN Cc1cc(CC(=O)OCCC2(O)CC2)c(C)n1-c1ccccc1 ZINC000853935139 620754428 /nfs/dbraw/zinc/75/44/28/620754428.db2.gz XEJKCTFKGITQCS-UHFFFAOYSA-N 0 0 313.397 3.095 20 10 DGCDRN Cc1cc(CC(=O)OCCC[C@@H](C)O)c(C)n1-c1ccccc1 ZINC000853935357 620754474 /nfs/dbraw/zinc/75/44/74/620754474.db2.gz YXNIUGNQTJNGPO-OAHLLOKOSA-N 0 0 315.413 3.341 20 10 DGCDRN COc1ccc(CN2CCC[C@H]2c2cc(C)on2)c(O)c1OC ZINC000891648030 617860603 /nfs/dbraw/zinc/86/06/03/617860603.db2.gz IXFBKVQSQAJQAJ-AWEZNQCLSA-N 0 0 318.373 3.043 20 10 DGCDRN O=C(Nc1cccc(N2CCCC2)c1)c1cccc2c[nH]nc21 ZINC000919749471 620764060 /nfs/dbraw/zinc/76/40/60/620764060.db2.gz ZQCKQMWCVOGUPZ-UHFFFAOYSA-N 0 0 306.369 3.415 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)NCc2ccoc2C)cc1 ZINC000919780489 620765726 /nfs/dbraw/zinc/76/57/26/620765726.db2.gz CRZLKDZQEWNMCJ-UHFFFAOYSA-N 0 0 315.417 3.434 20 10 DGCDRN CCCc1nc(CN(Cc2ccc(N(C)C)cc2)C(C)C)no1 ZINC000919807030 620766940 /nfs/dbraw/zinc/76/69/40/620766940.db2.gz NBEMOKHMXCRIJH-UHFFFAOYSA-N 0 0 316.449 3.499 20 10 DGCDRN COc1ccc(NCc2ccc(OC)c(OC)c2O)cc1OC ZINC000892259616 617998504 /nfs/dbraw/zinc/99/85/04/617998504.db2.gz YODKNYLGQOUYOC-UHFFFAOYSA-N 0 0 319.357 3.039 20 10 DGCDRN COc1ccc(NCc2ccc(OC)c(OC)c2O)c(C)c1 ZINC000892325674 618023199 /nfs/dbraw/zinc/02/31/99/618023199.db2.gz PBOOAVYERAOURN-UHFFFAOYSA-N 0 0 303.358 3.339 20 10 DGCDRN CC1CCC(CNC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000919896827 620771184 /nfs/dbraw/zinc/77/11/84/620771184.db2.gz VCRGZYIXUYYGBV-UHFFFAOYSA-N 0 0 303.450 3.378 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=S)NC1CCC1 ZINC000840868506 618039701 /nfs/dbraw/zinc/03/97/01/618039701.db2.gz GLLIHPQCNDHRQN-ZDUSSCGKSA-N 0 0 305.491 3.009 20 10 DGCDRN C[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)c1ccccn1 ZINC000854258673 620789143 /nfs/dbraw/zinc/78/91/43/620789143.db2.gz QNDNKTBKFKAZMO-NSHDSACASA-N 0 0 319.792 3.044 20 10 DGCDRN CCC/C(C)=C/C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000920222809 620791752 /nfs/dbraw/zinc/79/17/52/620791752.db2.gz ZFWRXHPQDIQNIX-FOCLMDBBSA-N 0 0 316.445 3.480 20 10 DGCDRN CC1(C)CCc2cc(C=C3SC(=S)NC3=O)ccc2O1 ZINC000920241230 620793154 /nfs/dbraw/zinc/79/31/54/620793154.db2.gz OQBOSTPHXHJNQS-XYOKQWHBSA-N 0 0 305.424 3.279 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1conc1CC ZINC000854374171 620798652 /nfs/dbraw/zinc/79/86/52/620798652.db2.gz QBJXXPHRWXPOSM-UHFFFAOYSA-N 0 0 302.374 3.385 20 10 DGCDRN COc1ccc(N(C)CC(=O)N(C)[C@H](C)CC(C)C)cc1OC ZINC000920418572 620800084 /nfs/dbraw/zinc/80/00/84/620800084.db2.gz MDUAFAXWDJKYGH-CQSZACIVSA-N 0 0 322.449 3.033 20 10 DGCDRN C[C@H](CNC(=O)NCc1c(O)cccc1F)Cc1cccs1 ZINC000920444137 620800971 /nfs/dbraw/zinc/80/09/71/620800971.db2.gz WLLSJIMOKFFLRF-NSHDSACASA-N 0 0 322.405 3.271 20 10 DGCDRN COc1ccc(C[NH2+]Cc2c(C)cccc2F)c(O)c1OC ZINC000893087138 618418747 /nfs/dbraw/zinc/41/87/47/618418747.db2.gz WFGKIAQCACPJET-UHFFFAOYSA-N 0 0 305.349 3.147 20 10 DGCDRN Cc1cc(Br)cc(CN2CC(C(F)(F)F)C2)c1O ZINC000894892187 618489666 /nfs/dbraw/zinc/48/96/66/618489666.db2.gz YVWOWRTZPOEIAQ-UHFFFAOYSA-N 0 0 324.140 3.457 20 10 DGCDRN CS[C@H]1CC[C@@H](NC(=O)NCc2cccc(Cl)c2O)C1 ZINC000893288577 618498141 /nfs/dbraw/zinc/49/81/41/618498141.db2.gz AQTJSCJOSRUEMM-MNOVXSKESA-N 0 0 314.838 3.129 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@H]2Cc3ccccc3S2)cc1 ZINC000014527388 618500096 /nfs/dbraw/zinc/50/00/96/618500096.db2.gz JIWFVASEDYLEOM-QGZVFWFLSA-N 0 0 312.438 3.086 20 10 DGCDRN C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000775985868 618520107 /nfs/dbraw/zinc/52/01/07/618520107.db2.gz PJMCRFVZSWVEIK-VHSXEESVSA-N 0 0 303.233 3.223 20 10 DGCDRN CN(C)c1ccc(/C=C/CN2CCc3nc[nH]c3C23CCC3)cc1 ZINC000895069131 618526372 /nfs/dbraw/zinc/52/63/72/618526372.db2.gz RDRCMWDNCKFCQW-HWKANZROSA-N 0 0 322.456 3.426 20 10 DGCDRN COc1ccc(N(C)Cc2ccc(OC)c(OC)c2O)cc1F ZINC000893464056 618564180 /nfs/dbraw/zinc/56/41/80/618564180.db2.gz JFEQWSFQOYELPH-UHFFFAOYSA-N 0 0 321.348 3.194 20 10 DGCDRN c1nc([C@@H](NCc2ccc3c(c2)CCCO3)c2ccccc2)n[nH]1 ZINC000893559105 618603435 /nfs/dbraw/zinc/60/34/35/618603435.db2.gz GWLKUJNGNDEMAJ-SFHVURJKSA-N 0 0 320.396 3.009 20 10 DGCDRN COc1ccc(N(C)Cc2cnn(CC3CCC3)c2)cc1OC ZINC000893574328 618610012 /nfs/dbraw/zinc/61/00/12/618610012.db2.gz WFYPKAPJHKBQJC-UHFFFAOYSA-N 0 0 315.417 3.337 20 10 DGCDRN COc1ccc(CN2CCOc3cc(C)ccc32)c(O)c1OC ZINC000893614691 618617010 /nfs/dbraw/zinc/61/70/10/618617010.db2.gz PSLHDNQDTXCTMX-UHFFFAOYSA-N 0 0 315.369 3.117 20 10 DGCDRN COC(=O)[C@H](C)c1cccc(NCc2cccc(OC)c2O)c1 ZINC000840956902 618631623 /nfs/dbraw/zinc/63/16/23/618631623.db2.gz AFTDXOIOHUTVJG-GFCCVEGCSA-N 0 0 315.369 3.289 20 10 DGCDRN CC[C@@H](C)n1ncc(NCc2ccc(OC)c(OC)c2O)c1C ZINC000893997646 618689614 /nfs/dbraw/zinc/68/96/14/618689614.db2.gz QCMAXFPRXXPVEQ-LLVKDONJSA-N 0 0 319.405 3.497 20 10 DGCDRN C[N@H+](Cc1cc(Cl)cc(Br)c1[O-])CC(C)(C)O ZINC000894026191 618696373 /nfs/dbraw/zinc/69/63/73/618696373.db2.gz JOJIMADLBWFEIN-UHFFFAOYSA-N 0 0 322.630 3.011 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000894026142 618696406 /nfs/dbraw/zinc/69/64/06/618696406.db2.gz KZQUAPGERNEGKH-QGZVFWFLSA-N 0 0 319.351 3.152 20 10 DGCDRN Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894093005 618708253 /nfs/dbraw/zinc/70/82/53/618708253.db2.gz ATFNBTKLWKIZGL-OAHLLOKOSA-N 0 0 307.344 3.049 20 10 DGCDRN COc1ccc(NCc2cc(C)cc(OC)c2O)cc1OC ZINC000894102793 618710967 /nfs/dbraw/zinc/71/09/67/618710967.db2.gz AEWGREVYEFGYEP-UHFFFAOYSA-N 0 0 303.358 3.339 20 10 DGCDRN CCc1ccc(NC(=O)NCCCSc2nccs2)nc1 ZINC000881207656 625288369 /nfs/dbraw/zinc/28/83/69/625288369.db2.gz YLLPMKHXMYTWEK-UHFFFAOYSA-N 0 0 322.459 3.404 20 10 DGCDRN C[C@H](NC(=O)N1CCC=C(Cl)C1)c1ccc(N(C)C)cc1 ZINC000894285099 618752189 /nfs/dbraw/zinc/75/21/89/618752189.db2.gz JAHPDBFLJXQLMW-LBPRGKRZSA-N 0 0 307.825 3.352 20 10 DGCDRN CCCCO[C@H]1C[C@H](NC(=O)Nc2ccc(N)cc2)C1(C)C ZINC000841299528 618790591 /nfs/dbraw/zinc/79/05/91/618790591.db2.gz IJDUNLVHJGDMMC-GJZGRUSLSA-N 0 0 305.422 3.374 20 10 DGCDRN Cc1cccc(O)c1CNc1cccc([C@@]2(C)COC(=O)N2)c1 ZINC000895637316 618810790 /nfs/dbraw/zinc/81/07/90/618810790.db2.gz IGFFCXOEGUJAOQ-GOSISDBHSA-N 0 0 312.369 3.268 20 10 DGCDRN CC(C)([NH2+]Cc1cc(F)cc(F)c1[O-])[C@H](O)c1ccccc1 ZINC000895662992 618814372 /nfs/dbraw/zinc/81/43/72/618814372.db2.gz UVFFOEJVONYRJG-MRXNPFEDSA-N 0 0 307.340 3.272 20 10 DGCDRN COC1(OC)CC2(C[N@H+](Cc3ccccc3O)[C@H]2C(C)C)C1 ZINC000895994040 618860039 /nfs/dbraw/zinc/86/00/39/618860039.db2.gz BKMFQVQYUZSUGY-INIZCTEOSA-N 0 0 305.418 3.002 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1sc(C)nc1C ZINC000896056108 618867664 /nfs/dbraw/zinc/86/76/64/618867664.db2.gz BVACMOUDSWWMFW-UHFFFAOYSA-N 0 0 318.442 3.447 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H]2CCC3(CCC3)O2)c1 ZINC000896162432 618880249 /nfs/dbraw/zinc/88/02/49/618880249.db2.gz DRJBKJCXWKHORC-OCCSQVGLSA-N 0 0 319.401 3.070 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@H]2CCC3(CCC3)O2)c1 ZINC000896162433 618880281 /nfs/dbraw/zinc/88/02/81/618880281.db2.gz DRJBKJCXWKHORC-TZMCWYRMSA-N 0 0 319.401 3.070 20 10 DGCDRN CCNc1ccc(C)cc1C(=O)NCc1cc(OC)ccc1O ZINC000896361751 618904438 /nfs/dbraw/zinc/90/44/38/618904438.db2.gz OAOJOJXNDXEIQF-UHFFFAOYSA-N 0 0 314.385 3.071 20 10 DGCDRN COc1cc(C)cc(CN[C@H]2c3ccccc3OC[C@H]2F)c1O ZINC000896424025 618911638 /nfs/dbraw/zinc/91/16/38/618911638.db2.gz MQNWQWHLBVMFBD-PBHICJAKSA-N 0 0 317.360 3.271 20 10 DGCDRN Cn1ccc(C2CC[NH+](Cc3cc(Cl)cc(F)c3[O-])CC2)n1 ZINC000896494988 618920192 /nfs/dbraw/zinc/92/01/92/618920192.db2.gz GDJDCAHYYKMVLG-UHFFFAOYSA-N 0 0 323.799 3.298 20 10 DGCDRN COc1ccc(C[C@@H](C)[NH2+]Cc2c([O-])cccc2F)cc1OC ZINC000896638569 618939710 /nfs/dbraw/zinc/93/97/10/618939710.db2.gz VTWRPAMIGRBBTA-GFCCVEGCSA-N 0 0 319.376 3.269 20 10 DGCDRN [O-]c1cccc(F)c1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000896637496 618939823 /nfs/dbraw/zinc/93/98/23/618939823.db2.gz NQQCKWCUMDBXQY-UHFFFAOYSA-N 0 0 306.425 3.418 20 10 DGCDRN CO[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)C(C)(C)C ZINC000896774220 618954304 /nfs/dbraw/zinc/95/43/04/618954304.db2.gz GTNLSSSWTXTRQF-CQSZACIVSA-N 0 0 323.414 3.103 20 10 DGCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC2(CCC2)C1 ZINC000896966981 618994976 /nfs/dbraw/zinc/99/49/76/618994976.db2.gz ZLQFUQRSIKAHID-UHFFFAOYSA-N 0 0 303.383 3.329 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCC(C)(C)C2CC2)c1 ZINC000896991862 618997685 /nfs/dbraw/zinc/99/76/85/618997685.db2.gz FIRYAWCHEPWQHT-LLVKDONJSA-N 0 0 306.406 3.197 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000897083341 619012373 /nfs/dbraw/zinc/01/23/73/619012373.db2.gz XVYSDTXSIOIHAR-XHDPSFHLSA-N 0 0 313.800 3.480 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1cccc2c1OCC2 ZINC000897206976 619028881 /nfs/dbraw/zinc/02/88/81/619028881.db2.gz UGGZSUYFAWRDDI-UHFFFAOYSA-N 0 0 307.752 3.409 20 10 DGCDRN CC[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)CC(F)(F)F ZINC000840514869 619037080 /nfs/dbraw/zinc/03/70/80/619037080.db2.gz LXMAOXWXEYMOTI-AYYIZTPMSA-N 0 0 317.307 3.206 20 10 DGCDRN CN(Cc1ccc([N+](=O)[O-])cc1F)c1ccc2c(c1)OCO2 ZINC000121294825 619039065 /nfs/dbraw/zinc/03/90/65/619039065.db2.gz BAGHNRWKCGNCEN-UHFFFAOYSA-N 0 0 304.277 3.099 20 10 DGCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H](C2CC2)C1 ZINC000897266620 619039097 /nfs/dbraw/zinc/03/90/97/619039097.db2.gz NNTFUPMWAYMQPA-SNVBAGLBSA-N 0 0 303.383 3.185 20 10 DGCDRN CN(Cc1noc(-c2ccccc2)n1)c1ccc2c(c1)OCO2 ZINC000121304896 619046037 /nfs/dbraw/zinc/04/60/37/619046037.db2.gz SPKABOSMJVEKPR-UHFFFAOYSA-N 0 0 309.325 3.102 20 10 DGCDRN Cc1csc(C[C@H]2CC[N@H+](Cc3cc(F)cc(F)c3[O-])C2)n1 ZINC000897301853 619049219 /nfs/dbraw/zinc/04/92/19/619049219.db2.gz WBCNDCPDPQEVEE-LLVKDONJSA-N 0 0 324.396 3.500 20 10 DGCDRN CC(C)OCCCCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897366752 619091772 /nfs/dbraw/zinc/09/17/72/619091772.db2.gz SAEPYPPNEBHHAN-UHFFFAOYSA-N 0 0 323.414 3.248 20 10 DGCDRN COC(C)(C)c1nsc(NCc2cccc(Cl)c2O)n1 ZINC000897391887 619102425 /nfs/dbraw/zinc/10/24/25/619102425.db2.gz DOIZDPYTZPTDAK-UHFFFAOYSA-N 0 0 313.810 3.391 20 10 DGCDRN C[C@H](NCc1ncnn1C(C)(C)C)c1ccc(Cl)cc1O ZINC000841754144 619157703 /nfs/dbraw/zinc/15/77/03/619157703.db2.gz ZWQZDNSZCBLQAH-JTQLQIEISA-N 0 0 308.813 3.243 20 10 DGCDRN COc1ccc(CNC(=O)CCCCc2ccccc2)c(O)c1 ZINC000897629474 619168966 /nfs/dbraw/zinc/16/89/66/619168966.db2.gz PCVACVSGAYAJDB-UHFFFAOYSA-N 0 0 313.397 3.430 20 10 DGCDRN C[C@H]([NH2+]Cc1cccc(Br)c1[O-])c1cncs1 ZINC000897933992 619194624 /nfs/dbraw/zinc/19/46/24/619194624.db2.gz CKDKZWLSWISQAB-QMMMGPOBSA-N 0 0 313.220 3.462 20 10 DGCDRN CO[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)CC(C)C ZINC000897988722 619203555 /nfs/dbraw/zinc/20/35/55/619203555.db2.gz WPYHHKNEZDIUML-NSHDSACASA-N 0 0 323.414 3.103 20 10 DGCDRN Cn1nc(CNCc2c(O)cccc2Cl)cc1C(F)(F)F ZINC000898021968 619206837 /nfs/dbraw/zinc/20/68/37/619206837.db2.gz XJGQVLSICJQEBH-UHFFFAOYSA-N 0 0 319.714 3.088 20 10 DGCDRN CCc1cccc(CNc2ccnn2[C@H]2CCCOC2)c1O ZINC000898088490 619211274 /nfs/dbraw/zinc/21/12/74/619211274.db2.gz DZZCWZPTLUGXBQ-HNNXBMFYSA-N 0 0 301.390 3.115 20 10 DGCDRN Oc1ccc(Cl)cc1CNc1ccnn1[C@@H]1CCCOC1 ZINC000898094844 619212070 /nfs/dbraw/zinc/21/20/70/619212070.db2.gz HONOIXPCLWSJHZ-CYBMUJFWSA-N 0 0 307.781 3.206 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1CCN1C(=O)OC(C)(C)C)c1c([O-])cccc1F ZINC000927002618 619256081 /nfs/dbraw/zinc/25/60/81/619256081.db2.gz WJWRTZXLQJEWAB-VXGBXAGGSA-N 0 0 324.396 3.191 20 10 DGCDRN CC(C)[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1cnn(C)c1 ZINC000927071781 619262237 /nfs/dbraw/zinc/26/22/37/619262237.db2.gz UQERARPRBCVEBL-ZBEGNZNMSA-N 0 0 318.377 3.082 20 10 DGCDRN C[C@H]([NH2+]CCO[C@@H]1CCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000927079546 619263056 /nfs/dbraw/zinc/26/30/56/619263056.db2.gz FXMKIFOYCWZAFT-VHSXEESVSA-N 0 0 320.216 3.155 20 10 DGCDRN C[C@@H]1CCC[C@H](Cn2cc(COc3ccc(N)cc3)nn2)C1 ZINC000881326146 625332245 /nfs/dbraw/zinc/33/22/45/625332245.db2.gz XUSRELDOFTVWGS-KGLIPLIRSA-N 0 0 300.406 3.266 20 10 DGCDRN C[C@H]1CCC[C@H](Cn2cc(COc3ccc(N)cc3)nn2)C1 ZINC000881326145 625332792 /nfs/dbraw/zinc/33/27/92/625332792.db2.gz XUSRELDOFTVWGS-KBPBESRZSA-N 0 0 300.406 3.266 20 10 DGCDRN C[C@H](NC(=O)C[C@@H]1CCC2(CCC2)CO1)c1ccccc1O ZINC000899182117 619316317 /nfs/dbraw/zinc/31/63/17/619316317.db2.gz SARLQUCQQLYGMG-KBPBESRZSA-N 0 0 303.402 3.309 20 10 DGCDRN Cc1ccccc1NC(=S)NCCN1CCc2ccccc21 ZINC000899564697 619356193 /nfs/dbraw/zinc/35/61/93/619356193.db2.gz LAVQEMSADGGMAR-UHFFFAOYSA-N 0 0 311.454 3.344 20 10 DGCDRN CC(C)(CCS(=O)(=O)Nc1ccc(O)c(F)c1F)C1CC1 ZINC000901684599 619533613 /nfs/dbraw/zinc/53/36/13/619533613.db2.gz VWICLLRHPRFUEK-UHFFFAOYSA-N 0 0 319.373 3.238 20 10 DGCDRN CCCn1cc([C@@H](C)NCc2ccc(N3CCCC3)cc2)nn1 ZINC000902742424 619668872 /nfs/dbraw/zinc/66/88/72/619668872.db2.gz PSMRSRCEOTUPFM-OAHLLOKOSA-N 0 0 313.449 3.139 20 10 DGCDRN CCCn1cc([C@@H](C)NCc2ccc(N(CC)CC)cc2)nn1 ZINC000902755838 619671211 /nfs/dbraw/zinc/67/12/11/619671211.db2.gz UJENPJYJLUZTAY-OAHLLOKOSA-N 0 0 315.465 3.385 20 10 DGCDRN Cc1cc(NC(=O)NCc2c(O)cccc2F)n(C(C)(C)C)n1 ZINC000902945636 619693432 /nfs/dbraw/zinc/69/34/32/619693432.db2.gz UOFPEDOTSWOZLM-UHFFFAOYSA-N 0 0 320.368 3.113 20 10 DGCDRN C[C@@H]([NH2+]C[C@@]1(c2ccccc2)C[C@@H](O)C1)c1ccc(F)cc1[O-] ZINC000903269612 619749612 /nfs/dbraw/zinc/74/96/12/619749612.db2.gz BXJLVHYBDITDCV-VVFCZOMOSA-N 0 0 315.388 3.275 20 10 DGCDRN CC[C@H]([NH2+]C[C@@H]1CCN1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000903318791 619754997 /nfs/dbraw/zinc/75/49/97/619754997.db2.gz SYOVOOOZQGTZJS-GWCFXTLKSA-N 0 0 303.233 3.444 20 10 DGCDRN O=C1NC(=S)S/C1=C/c1c(F)cccc1OC(F)(F)F ZINC000789128424 625368570 /nfs/dbraw/zinc/36/85/70/625368570.db2.gz SXMNEVREDXVGBV-XBXARRHUSA-N 0 0 323.292 3.213 20 10 DGCDRN C[C@H]([NH2+]Cc1cn(C)cn1)c1cc(Cl)c(Cl)cc1[O-] ZINC000903352958 619763653 /nfs/dbraw/zinc/76/36/53/619763653.db2.gz XLIJARRVXWFIHY-QMMMGPOBSA-N 0 0 300.189 3.283 20 10 DGCDRN C[C@@H]([NH2+]Cc1cn(C)cn1)c1cc(Cl)c(Cl)cc1[O-] ZINC000903352957 619763699 /nfs/dbraw/zinc/76/36/99/619763699.db2.gz XLIJARRVXWFIHY-MRVPVSSYSA-N 0 0 300.189 3.283 20 10 DGCDRN CCNc1nc(C)c(C(=O)N[C@@H](C)c2ccccc2O)s1 ZINC000881440554 625375097 /nfs/dbraw/zinc/37/50/97/625375097.db2.gz FZMDQEJYSWFDIE-VIFPVBQESA-N 0 0 305.403 3.080 20 10 DGCDRN CCn1nc(C2CC2)cc1-c1nc(Cc2ccc(N)cc2)no1 ZINC000904077520 619871446 /nfs/dbraw/zinc/87/14/46/619871446.db2.gz CFPBCHYGVDLDKO-UHFFFAOYSA-N 0 0 309.373 3.003 20 10 DGCDRN CC(C)COc1ccccc1NC[C@@H](O)CC1(CO)CCCC1 ZINC000905308688 619989249 /nfs/dbraw/zinc/98/92/49/619989249.db2.gz PHDHQNJQMTXWNL-INIZCTEOSA-N 0 0 321.461 3.437 20 10 DGCDRN Cn1ccc(C2CC[NH+](Cc3c(O)ccc4ccncc43)CC2)n1 ZINC000905719786 620020311 /nfs/dbraw/zinc/02/03/11/620020311.db2.gz LKHIOWHDEQAPSU-UHFFFAOYSA-N 0 0 322.412 3.054 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cn(C)nc1C1CCCC1 ZINC000906991284 620132090 /nfs/dbraw/zinc/13/20/90/620132090.db2.gz LJLWGGMJOKMTLW-UHFFFAOYSA-N 0 0 313.401 3.056 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](C)c1cnccn1 ZINC000908045754 620187836 /nfs/dbraw/zinc/18/78/36/620187836.db2.gz SIKCCUJFGKUTAO-CQSZACIVSA-N 0 0 313.401 3.115 20 10 DGCDRN C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCc2ccc(O)cc2O)o1 ZINC000910952245 620318533 /nfs/dbraw/zinc/31/85/33/620318533.db2.gz UHLVCKFLFUGNMT-NHYWBVRUSA-N 0 0 315.369 3.063 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000910950150 620318681 /nfs/dbraw/zinc/31/86/81/620318681.db2.gz DETHFAQFAAKJDJ-XLIONFOSSA-N 0 0 323.392 3.008 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000910958119 620318778 /nfs/dbraw/zinc/31/87/78/620318778.db2.gz WYXCMCPSQKTIHL-NEPJUHHUSA-N 0 0 317.307 3.083 20 10 DGCDRN O=C(NCc1ccc(O)cc1O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000910954964 620318983 /nfs/dbraw/zinc/31/89/83/620318983.db2.gz BNUJUJVBPPHHAU-HOTGVXAUSA-N 0 0 315.344 3.047 20 10 DGCDRN Cc1oc(C(C)(C)C)cc1C(=O)NCCc1ccc(N)cc1 ZINC000911782773 620346037 /nfs/dbraw/zinc/34/60/37/620346037.db2.gz MXJVFFMLPJZEHS-UHFFFAOYSA-N 0 0 300.402 3.440 20 10 DGCDRN Cc1cc(O)ccc1NS(=O)(=O)c1cccc(Cl)c1C ZINC000151871298 620477563 /nfs/dbraw/zinc/47/75/63/620477563.db2.gz JVUHOXNKKPSMFL-UHFFFAOYSA-N 0 0 311.790 3.463 20 10 DGCDRN Cc1ccc(C2=NO[C@@H](C(=O)N[C@H](C)c3ccccc3O)C2)cc1 ZINC000913763402 620477923 /nfs/dbraw/zinc/47/79/23/620477923.db2.gz FSHYEKGHAIKVFV-FZKQIMNGSA-N 0 0 324.380 3.071 20 10 DGCDRN COC(=O)COC(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC000914139860 620508671 /nfs/dbraw/zinc/50/86/71/620508671.db2.gz KRVUSJXZDQAZMB-UHFFFAOYSA-N 0 0 314.297 3.137 20 10 DGCDRN CSC[C@@H]1CCCN1C(=O)NCc1ccc(N(C)C)cc1C ZINC000152515407 620510974 /nfs/dbraw/zinc/51/09/74/620510974.db2.gz HTBWSJJSYJCWNP-INIZCTEOSA-N 0 0 321.490 3.098 20 10 DGCDRN C[C@H]1C[C@H]1c1ccc(CNC(=O)NCc2c(O)cccc2F)o1 ZINC000914245992 620515058 /nfs/dbraw/zinc/51/50/58/620515058.db2.gz RKZIVNDCDYSTPZ-CMPLNLGQSA-N 0 0 318.348 3.247 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC[C@H]1CCCO1 ZINC000914724858 620550385 /nfs/dbraw/zinc/55/03/85/620550385.db2.gz ANUGHSCJGCMVSQ-GOSISDBHSA-N 0 0 318.461 3.449 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)/C=C/c1cccc(O)c1 ZINC000153625752 620587715 /nfs/dbraw/zinc/58/77/15/620587715.db2.gz MJBUYVALDTVWPK-JXMROGBWSA-N 0 0 310.397 3.096 20 10 DGCDRN O=C(NCc1ccccc1O)N[C@H]1CCSC2(CCC2)C1 ZINC000915525825 620588719 /nfs/dbraw/zinc/58/87/19/620588719.db2.gz SNGGHUODPZLVKH-ZDUSSCGKSA-N 0 0 306.431 3.010 20 10 DGCDRN Cc1ccc2c(c1)C(=O)N(C)[C@@H](c1ccc(N(C)C)c(F)c1)N2 ZINC000153706096 620595747 /nfs/dbraw/zinc/59/57/47/620595747.db2.gz QVKHGVRUZOJTJC-KRWDZBQOSA-N 0 0 313.376 3.396 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C=C/c2cnc(C)s2)c1 ZINC000153897743 620621365 /nfs/dbraw/zinc/62/13/65/620621365.db2.gz VDCTXGJFJPOAEP-BREXMAIKSA-N 0 0 318.398 3.056 20 10 DGCDRN CCNC(=S)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000921270737 620846427 /nfs/dbraw/zinc/84/64/27/620846427.db2.gz IXJDLVGUOOCZFA-UHFFFAOYSA-N 0 0 305.491 3.440 20 10 DGCDRN O=C(NCCCSc1nccs1)NCCC1CC=CC1 ZINC000921447815 620857486 /nfs/dbraw/zinc/85/74/86/620857486.db2.gz UIPZXCNBOIEUIW-UHFFFAOYSA-N 0 0 311.476 3.281 20 10 DGCDRN C[C@@H]1CCCC[C@@H]1OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000112856707 620858889 /nfs/dbraw/zinc/85/88/89/620858889.db2.gz VTFZSQHCSJCSCQ-QAPCUYQASA-N 0 0 318.461 3.306 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CCC3(C)C)C2)cc1 ZINC000854980748 620859530 /nfs/dbraw/zinc/85/95/30/620859530.db2.gz GLUCSWDBFSUIRS-RHSMWYFYSA-N 0 0 316.445 3.074 20 10 DGCDRN CCN(CC)c1ccc(CN(C)Cc2ncnn2C(C)C)cc1 ZINC000789289591 625446121 /nfs/dbraw/zinc/44/61/21/625446121.db2.gz ODCSSCZRFPQWJY-UHFFFAOYSA-N 0 0 315.465 3.337 20 10 DGCDRN CC[C@H](C)[C@H](C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855224170 620881861 /nfs/dbraw/zinc/88/18/61/620881861.db2.gz FHLYIXRCSWOJAI-KKUMJFAQSA-N 0 0 304.434 3.072 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)CC(C)(C)C3CC3)C2)cc1 ZINC000855225321 620881910 /nfs/dbraw/zinc/88/19/10/620881910.db2.gz JXJHKVIVSNIXTC-HNNXBMFYSA-N 0 0 316.445 3.216 20 10 DGCDRN CCCCCCC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855232579 620882310 /nfs/dbraw/zinc/88/23/10/620882310.db2.gz SDDFLZOYVLAZDL-HNNXBMFYSA-N 0 0 304.434 3.361 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)/C=C3/CC[C@@H](C)C3)C2)cc1 ZINC000855233613 620882334 /nfs/dbraw/zinc/88/23/34/620882334.db2.gz JAJPQWCZCVUXFT-USTAHWGDSA-N 0 0 314.429 3.137 20 10 DGCDRN CCCC[C@H](C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855227621 620882356 /nfs/dbraw/zinc/88/23/56/620882356.db2.gz ZLZKPOODRIPEDH-GJZGRUSLSA-N 0 0 304.434 3.216 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)[C@@]3(C)CCC[C@H]3C)C2)cc1 ZINC000855226977 620882398 /nfs/dbraw/zinc/88/23/98/620882398.db2.gz RUKGCRQHJRTSGE-VCBZYWHSSA-N 0 0 316.445 3.216 20 10 DGCDRN COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)c3ccccc3)C2)cc1 ZINC000855228080 620882482 /nfs/dbraw/zinc/88/24/82/620882482.db2.gz UXEFZUNJYUBXJQ-NVXWUHKLSA-N 0 0 324.424 3.194 20 10 DGCDRN CCc1ccc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000855234778 620882899 /nfs/dbraw/zinc/88/28/99/620882899.db2.gz MGMKSAKRXGYUJM-KRWDZBQOSA-N 0 0 324.424 3.266 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)c3cccc(C)c3C)C2)cc1 ZINC000855234827 620882986 /nfs/dbraw/zinc/88/29/86/620882986.db2.gz NTRBYZXSMRKFLA-INIZCTEOSA-N 0 0 324.424 3.321 20 10 DGCDRN C[C@@H]([NH2+]CCc1cn(C)cn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000840765321 620884769 /nfs/dbraw/zinc/88/47/69/620884769.db2.gz CTEWNJRFQSKBEB-SECBINFHSA-N 0 0 314.216 3.326 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCc3sccc3C2)cc1 ZINC000010262712 620901771 /nfs/dbraw/zinc/90/17/71/620901771.db2.gz SQZKGXXMGOIMMB-UHFFFAOYSA-N 0 0 315.442 3.082 20 10 DGCDRN CC(C)c1noc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000888388273 620939333 /nfs/dbraw/zinc/93/93/33/620939333.db2.gz VGZIUQTUKSRATM-LLVKDONJSA-N 0 0 317.393 3.142 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H]2[C@H](C)O)cc1 ZINC000855868628 620944857 /nfs/dbraw/zinc/94/48/57/620944857.db2.gz YQBJNAFJIUWQGL-MAUKXSAKSA-N 0 0 312.413 3.080 20 10 DGCDRN COc1cccc(C2(NC(=O)C3=CC(=O)CS3)CCC2)c1 ZINC000856206723 620972237 /nfs/dbraw/zinc/97/22/37/620972237.db2.gz JUYLFHFBHZOOBA-UHFFFAOYSA-N 0 0 303.383 3.272 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1CCS[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000922054875 620983844 /nfs/dbraw/zinc/98/38/44/620983844.db2.gz MQWRRXZBYLACEE-UMVBOHGHSA-N 0 0 321.490 3.397 20 10 DGCDRN Cc1cc(C(=O)NCCOCCF)c(C)n1-c1ccccc1C ZINC000856471714 620997384 /nfs/dbraw/zinc/99/73/84/620997384.db2.gz WTXKOCVYNIGSOT-UHFFFAOYSA-N 0 0 318.392 3.118 20 10 DGCDRN O=C(NCCCSc1nccs1)c1cc(Cl)c[nH]1 ZINC000114374427 621003254 /nfs/dbraw/zinc/00/32/54/621003254.db2.gz ZTTJBHYGSYQBAM-UHFFFAOYSA-N 0 0 301.824 3.037 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2ccc(F)cc2F)c1 ZINC000114512431 621008248 /nfs/dbraw/zinc/00/82/48/621008248.db2.gz ZRJXCYDXFAMJAJ-UHFFFAOYSA-N 0 0 308.284 3.001 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2ccc3ccccc3c2)c1 ZINC000114540723 621009055 /nfs/dbraw/zinc/00/90/55/621009055.db2.gz QPJFWJSOFOMBLR-UHFFFAOYSA-N 0 0 307.349 3.484 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2cc3c(cc(C)cc3C)[nH]2)c1 ZINC000114544163 621009867 /nfs/dbraw/zinc/00/98/67/621009867.db2.gz DURBJPSXJXUDTO-UHFFFAOYSA-N 0 0 324.380 3.429 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Nc2ccc(F)c(C)c2)c1 ZINC000114577634 621016122 /nfs/dbraw/zinc/01/61/22/621016122.db2.gz WNYSOCWDUODZSU-UHFFFAOYSA-N 0 0 304.321 3.170 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@H](C)c2ccc(C)cc2)c1 ZINC000114590087 621016517 /nfs/dbraw/zinc/01/65/17/621016517.db2.gz IMCSROZFSRGGHZ-CYBMUJFWSA-N 0 0 314.385 3.270 20 10 DGCDRN CCOc1cncc(C[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000857046730 621050235 /nfs/dbraw/zinc/05/02/35/621050235.db2.gz PUABBOPFFQVRQW-GFCCVEGCSA-N 0 0 302.374 3.045 20 10 DGCDRN COc1nc(C)cc(C)c1CN(C)Cc1cc(F)ccc1O ZINC000857068582 621054166 /nfs/dbraw/zinc/05/41/66/621054166.db2.gz BFVQAJBFKHVSAN-UHFFFAOYSA-N 0 0 304.365 3.184 20 10 DGCDRN CO/C(=C\c1ccccc1)C(=O)NCc1ccc(N(C)C)cc1C ZINC000857126532 621059525 /nfs/dbraw/zinc/05/95/25/621059525.db2.gz DUNHPPXDVKXGQK-UYRXBGFRSA-N 0 0 324.424 3.365 20 10 DGCDRN CN(C)c1cc(F)c(CN[C@@H](c2ncccn2)C2CC2)cc1F ZINC000922577243 621059885 /nfs/dbraw/zinc/05/98/85/621059885.db2.gz OXGPBBHJKOMNDJ-MRXNPFEDSA-N 0 0 318.371 3.062 20 10 DGCDRN CCOc1cncc(/C=C2\c3cccc4c3N(CCC4)C2=O)c1 ZINC000857202475 621067768 /nfs/dbraw/zinc/06/77/68/621067768.db2.gz OBFHNHUMMCJXAT-LICLKQGHSA-N 0 0 306.365 3.314 20 10 DGCDRN COc1cc(Cl)c(F)c(C(=O)NCc2ccccc2O)c1 ZINC000857471485 621090255 /nfs/dbraw/zinc/09/02/55/621090255.db2.gz AJRHVBGLKBCCLA-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc2cc[nH]c2c1 ZINC000115279879 621092941 /nfs/dbraw/zinc/09/29/41/621092941.db2.gz WERNDUMAIBNSFE-UHFFFAOYSA-N 0 0 307.397 3.472 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)/C=C/c1cccs1 ZINC000115281941 621094655 /nfs/dbraw/zinc/09/46/55/621094655.db2.gz SFMZOEVQWXYAAO-CMDGGOBGSA-N 0 0 300.427 3.452 20 10 DGCDRN C[C@@H](COc1ccccc1)C(=O)NCc1cc(Cl)ccc1O ZINC000857547702 621095123 /nfs/dbraw/zinc/09/51/23/621095123.db2.gz QFUCLEIYOFIEFW-LBPRGKRZSA-N 0 0 319.788 3.377 20 10 DGCDRN COc1cccc(CNC(=O)C[C@@H]2CCc3ccccc32)c1O ZINC000115712020 621128820 /nfs/dbraw/zinc/12/88/20/621128820.db2.gz WNFNFIZBDWFZKP-AWEZNQCLSA-N 0 0 311.381 3.137 20 10 DGCDRN COc1ccc(O)c(CNC(=O)C[C@H]2CCc3ccccc32)c1 ZINC000115713228 621128844 /nfs/dbraw/zinc/12/88/44/621128844.db2.gz QXAXFPORTAWDCW-CQSZACIVSA-N 0 0 311.381 3.137 20 10 DGCDRN CC[C@@H](C)NC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC000858090463 621151332 /nfs/dbraw/zinc/15/13/32/621151332.db2.gz HENHIKGAZKNXMI-CYBMUJFWSA-N 0 0 312.413 3.364 20 10 DGCDRN COc1ccc(CNCc2cc(F)c(N(C)C)cc2F)cc1O ZINC000858120820 621154991 /nfs/dbraw/zinc/15/49/91/621154991.db2.gz NETPVPJUOMJXOK-UHFFFAOYSA-N 0 0 322.355 3.035 20 10 DGCDRN CCCc1ncc(CNCc2cc(F)c(N(C)C)cc2F)o1 ZINC000858173912 621161623 /nfs/dbraw/zinc/16/16/23/621161623.db2.gz JEJTZQNHWWGKHU-UHFFFAOYSA-N 0 0 309.360 3.261 20 10 DGCDRN CN(C)c1cc(F)c(CN[C@@H]2COCc3ccccc32)cc1F ZINC000858179585 621162069 /nfs/dbraw/zinc/16/20/69/621162069.db2.gz OYPXPPMYXLHTJF-QGZVFWFLSA-N 0 0 318.367 3.392 20 10 DGCDRN CN(C)c1cc(F)c(CN[C@@H]2C[C@@H](O)c3ccccc32)cc1F ZINC000858190006 621163447 /nfs/dbraw/zinc/16/34/47/621163447.db2.gz XWWXVPBSJRNJDQ-SJLPKXTDSA-N 0 0 318.367 3.299 20 10 DGCDRN COC1CC(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000858202100 621164276 /nfs/dbraw/zinc/16/42/76/621164276.db2.gz LIHRYUIOFBLCBG-UHFFFAOYSA-N 0 0 316.445 3.060 20 10 DGCDRN CC(C)CC[C@H](CO)[NH2+]Cc1cccc(Br)c1[O-] ZINC000858241285 621167262 /nfs/dbraw/zinc/16/72/62/621167262.db2.gz NZNJAHVLIQQNAU-GFCCVEGCSA-N 0 0 316.239 3.041 20 10 DGCDRN Cc1ccc(CC[C@@H](C)NC(=O)NCc2cc(C)ccc2O)o1 ZINC000858255031 621169055 /nfs/dbraw/zinc/16/90/55/621169055.db2.gz OOJXWWJJYRNSHZ-CYBMUJFWSA-N 0 0 316.401 3.423 20 10 DGCDRN Cc1cc(CNCc2cnccn2)c(C)n1-c1cccc(C)c1 ZINC000858292839 621172369 /nfs/dbraw/zinc/17/23/69/621172369.db2.gz GHNSDUYIQGUVDC-UHFFFAOYSA-N 0 0 306.413 3.482 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC(F)(F)F)c1 ZINC000858294484 621172471 /nfs/dbraw/zinc/17/24/71/621172471.db2.gz NNAWTQJIESCULR-UHFFFAOYSA-N 0 0 324.302 3.199 20 10 DGCDRN O=c1nc(Cl)cc(NCc2ccc(N3CCCC3)cc2)[nH]1 ZINC000858347348 621179251 /nfs/dbraw/zinc/17/92/51/621179251.db2.gz WIAKWDAICZXEDT-UHFFFAOYSA-N 0 0 304.781 3.048 20 10 DGCDRN Cc1ccc(Cl)c(OC[C@@H](O)CN(C)c2ccc(N)cc2)c1 ZINC000923400755 621181232 /nfs/dbraw/zinc/18/12/32/621181232.db2.gz OBQFTCZVUZBNJU-HNNXBMFYSA-N 0 0 320.820 3.107 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000858449461 621192407 /nfs/dbraw/zinc/19/24/07/621192407.db2.gz MAJBGEIVWIKEMN-RNCFNFMXSA-N 0 0 317.286 3.182 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ocnc1C(F)F ZINC000858453316 621193040 /nfs/dbraw/zinc/19/30/40/621193040.db2.gz VBPHTMYNOPBXNF-UHFFFAOYSA-N 0 0 321.327 3.142 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@@H]2C[C@@H]2C)cc1 ZINC000858486608 621197176 /nfs/dbraw/zinc/19/71/76/621197176.db2.gz WWJMYQULQUUKCS-GUYCJALGSA-N 0 0 324.424 3.221 20 10 DGCDRN CC[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000858494819 621197760 /nfs/dbraw/zinc/19/77/60/621197760.db2.gz OGECOPJYRJZFKC-JWKOBGCHSA-N 0 0 317.216 3.004 20 10 DGCDRN Cc1cc(CNC(=O)NC(CF)CF)c(C)n1-c1ccccc1 ZINC000858501274 621198530 /nfs/dbraw/zinc/19/85/30/621198530.db2.gz HYCLSRIJCTYDNO-UHFFFAOYSA-N 0 0 321.371 3.201 20 10 DGCDRN CCOC(=O)C1=CC[C@H]([NH2+][C@@H](CC)c2ccc(F)cc2[O-])C1 ZINC000858505873 621199765 /nfs/dbraw/zinc/19/97/65/621199765.db2.gz BPMVFRQYMVBVLR-ZFWWWQNUSA-N 0 0 307.365 3.224 20 10 DGCDRN CCOC(=O)C1=CC[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000858508360 621200307 /nfs/dbraw/zinc/20/03/07/621200307.db2.gz MYYYXYHXWLLBBS-MFKMUULPSA-N 0 0 309.793 3.348 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC[C@@]2(C)CC2(Cl)Cl)c1 ZINC000858514139 621200640 /nfs/dbraw/zinc/20/06/40/621200640.db2.gz SOXGGSOFLRHZBX-CYBMUJFWSA-N 0 0 317.216 3.084 20 10 DGCDRN CC[C@H](CNC(=O)NCc1cc(C)ccc1O)CC(F)(F)F ZINC000858540271 621203140 /nfs/dbraw/zinc/20/31/40/621203140.db2.gz ZVXBDALUCVASPC-NSHDSACASA-N 0 0 318.339 3.478 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NC[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000858571931 621205621 /nfs/dbraw/zinc/20/56/21/621205621.db2.gz MKBQAGZJBHNEMP-NVXWUHKLSA-N 0 0 310.397 3.304 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)Nc1cc(Cl)nc(=O)[nH]1 ZINC000858571902 621205679 /nfs/dbraw/zinc/20/56/79/621205679.db2.gz LTMDKOQZYRCNPG-NSHDSACASA-N 0 0 320.824 3.253 20 10 DGCDRN CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2ccc(Br)cc2O)C1 ZINC000858592624 621208193 /nfs/dbraw/zinc/20/81/93/621208193.db2.gz HDHNMDNSCALXNG-FOGDFJRCSA-N 0 0 314.223 3.230 20 10 DGCDRN CC[C@H]([NH2+]CCN(C)CC(F)F)c1cccc(Cl)c1[O-] ZINC000858596326 621208254 /nfs/dbraw/zinc/20/82/54/621208254.db2.gz FCLRDIFMHHEUKC-LBPRGKRZSA-N 0 0 306.784 3.283 20 10 DGCDRN CCC[C@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)OCC ZINC000858684288 621214474 /nfs/dbraw/zinc/21/44/74/621214474.db2.gz RLRYVLXHQPMHFJ-QGZVFWFLSA-N 0 0 321.465 3.099 20 10 DGCDRN CCC1(c2ccccc2)CN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000838188282 621221552 /nfs/dbraw/zinc/22/15/52/621221552.db2.gz ATYJSQZLZXZVLR-LUAWRHEFSA-N 0 0 323.392 3.301 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@H](C)C1 ZINC000859048827 621242884 /nfs/dbraw/zinc/24/28/84/621242884.db2.gz SICWMYWFXJSRTJ-ZDUSSCGKSA-N 0 0 310.397 3.389 20 10 DGCDRN COc1ccc(O)c(CNC(=O)NC[C@@H]2CCCC2(C)C)c1 ZINC000838473727 621258005 /nfs/dbraw/zinc/25/80/05/621258005.db2.gz BHUOHPKVJXLBFO-ZDUSSCGKSA-N 0 0 306.406 3.026 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1C[C@H]1C1CC1 ZINC000838722188 621273603 /nfs/dbraw/zinc/27/36/03/621273603.db2.gz AHEWZFVLNWVKIG-HOTGVXAUSA-N 0 0 302.418 3.360 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000859420457 621276447 /nfs/dbraw/zinc/27/64/47/621276447.db2.gz YDTBFVIMAJNPMU-HSALFYBXSA-N 0 0 320.436 3.263 20 10 DGCDRN C[C@@H]1C[C@H]1COC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000859633301 621302003 /nfs/dbraw/zinc/30/20/03/621302003.db2.gz XNCRRLPULXGBIA-PWSUYJOCSA-N 0 0 302.399 3.129 20 10 DGCDRN Cc1c(N)cccc1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000859730442 621315418 /nfs/dbraw/zinc/31/54/18/621315418.db2.gz INFRDQPURPIRDE-UHFFFAOYSA-N 0 0 324.428 3.499 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCC2(C)CC2)cc1 ZINC000859844156 621336518 /nfs/dbraw/zinc/33/65/18/621336518.db2.gz MVHMKHXNMGXLNL-UHFFFAOYSA-N 0 0 324.424 3.365 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CC2(C1)CCCOC2 ZINC000839138160 621339539 /nfs/dbraw/zinc/33/95/39/621339539.db2.gz IZDUZCMYCVNCEC-UHFFFAOYSA-N 0 0 302.201 3.311 20 10 DGCDRN CN(C)c1ccc(CN2C[C@@H]3C[C@H]2CS3)c(C(F)(F)F)c1 ZINC000839191647 621347099 /nfs/dbraw/zinc/34/70/99/621347099.db2.gz IWHUEBQWQQBNOM-STQMWFEESA-N 0 0 316.392 3.461 20 10 DGCDRN COc1ccc2c(c1)CC[C@H]2C(=O)N(C)Cc1ccccc1O ZINC000860048381 621358210 /nfs/dbraw/zinc/35/82/10/621358210.db2.gz UJIQVOGZHPDUNK-QGZVFWFLSA-N 0 0 311.381 3.089 20 10 DGCDRN CCCCCCO[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000839471956 621379200 /nfs/dbraw/zinc/37/92/00/621379200.db2.gz ZLLVHHDDJUIKOP-HNNXBMFYSA-N 0 0 306.450 3.354 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C(F)F)o2)c1 ZINC000860242697 621385868 /nfs/dbraw/zinc/38/58/68/621385868.db2.gz TVZUTMCDWQWCIZ-MRVPVSSYSA-N 0 0 311.284 3.422 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cccnc2C2CC2)c1 ZINC000752595979 621401606 /nfs/dbraw/zinc/40/16/06/621401606.db2.gz KAQDFWOPEBATIZ-LLVKDONJSA-N 0 0 312.369 3.164 20 10 DGCDRN C[C@H](NC(=O)C1=CC(=O)CS1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000752824817 621412319 /nfs/dbraw/zinc/41/23/19/621412319.db2.gz ZUPOJUXKVUSTLM-AMJWSMQMSA-N 0 0 303.383 3.137 20 10 DGCDRN CC1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCC(F)(F)CC1 ZINC000752837206 621412455 /nfs/dbraw/zinc/41/24/55/621412455.db2.gz XMBQWADOPDSNCP-HWKANZROSA-N 0 0 311.328 3.195 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@@H](C)C1(C)CC1 ZINC000752976749 621418543 /nfs/dbraw/zinc/41/85/43/621418543.db2.gz LXDPSPZYUBWYOE-AWEZNQCLSA-N 0 0 303.450 3.391 20 10 DGCDRN CC(C)C1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000753569709 621449666 /nfs/dbraw/zinc/44/96/66/621449666.db2.gz RURBJGZZIGEZPT-UHFFFAOYSA-N 0 0 301.434 3.084 20 10 DGCDRN COC(=O)COc1ccc(N(C)Cc2cccc3cc[nH]c32)cc1 ZINC000753590897 621452203 /nfs/dbraw/zinc/45/22/03/621452203.db2.gz FDMYDETYNHMIAI-UHFFFAOYSA-N 0 0 324.380 3.356 20 10 DGCDRN CC(C)c1nocc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000860950933 621461564 /nfs/dbraw/zinc/46/15/64/621461564.db2.gz VVCKAVMSJAFIGC-GFCCVEGCSA-N 0 0 301.390 3.355 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ncccc1OC ZINC000753938743 621472650 /nfs/dbraw/zinc/47/26/50/621472650.db2.gz BDYZKNWTFBZRPA-UHFFFAOYSA-N 0 0 315.373 3.240 20 10 DGCDRN COc1cc(N(C)CC[C@@H]2CCCCO2)cc(OC)c1OC ZINC000754050022 621482671 /nfs/dbraw/zinc/48/26/71/621482671.db2.gz NHHPKPBFEGGRRT-AWEZNQCLSA-N 0 0 309.406 3.108 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1cccc(-c2ncco2)c1 ZINC000754468825 621511987 /nfs/dbraw/zinc/51/19/87/621511987.db2.gz RSXOKFJWVBFZBJ-UHFFFAOYSA-N 0 0 309.325 3.369 20 10 DGCDRN Cc1cc(F)ccc1CN(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000754699125 621525293 /nfs/dbraw/zinc/52/52/93/621525293.db2.gz MMJUOVZZIDLBCG-XBXARRHUSA-N 0 0 315.344 3.217 20 10 DGCDRN Cc1cc(C)c(O)c(CN(C)Cc2cnn(-c3ccccc3)n2)c1 ZINC000754725999 621528525 /nfs/dbraw/zinc/52/85/25/621528525.db2.gz KIUWAVJKPNMGBP-UHFFFAOYSA-N 0 0 322.412 3.222 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2C[C@H](C)[C@H]2C)c1 ZINC000861837161 621540509 /nfs/dbraw/zinc/54/05/09/621540509.db2.gz QSYKWUAQODXPLW-GXTWGEPZSA-N 0 0 310.397 3.387 20 10 DGCDRN CSc1ccccc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000755013952 621546661 /nfs/dbraw/zinc/54/66/61/621546661.db2.gz SZRKORFJDOGZLH-UHFFFAOYSA-N 0 0 318.398 3.184 20 10 DGCDRN CCC[C@@H](OCC)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000862002690 621549848 /nfs/dbraw/zinc/54/98/48/621549848.db2.gz VPSFOSGVELFPLM-CRAIPNDOSA-N 0 0 320.477 3.313 20 10 DGCDRN CCC[C@H](OCC)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000862002694 621549905 /nfs/dbraw/zinc/54/99/05/621549905.db2.gz VPSFOSGVELFPLM-QAPCUYQASA-N 0 0 320.477 3.313 20 10 DGCDRN CC[C@@H](CC(F)F)C(=O)NCc1ccc2cccnc2c1O ZINC000862025442 621551233 /nfs/dbraw/zinc/55/12/33/621551233.db2.gz UKYUWMNRERTTPK-JTQLQIEISA-N 0 0 308.328 3.238 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc3ccccn3c2)c1 ZINC000118785839 621561116 /nfs/dbraw/zinc/56/11/16/621561116.db2.gz IVMNYZWEKXPMRQ-GFCCVEGCSA-N 0 0 310.353 3.145 20 10 DGCDRN Cc1cc(C(=O)Nc2c[nH]c(=O)cc2C)c(C)n1-c1ccccn1 ZINC000755458654 621574473 /nfs/dbraw/zinc/57/44/73/621574473.db2.gz GBEMKWICVJDYPI-UHFFFAOYSA-N 0 0 322.368 3.150 20 10 DGCDRN C[C@H]1CN(Cc2cc(F)c(N(C)C)cc2F)C2(CCC2)CO1 ZINC000862403941 621585701 /nfs/dbraw/zinc/58/57/01/621585701.db2.gz YOTPOGMDNUAVDA-LBPRGKRZSA-N 0 0 310.388 3.174 20 10 DGCDRN CN(C)c1cc(F)c(CN2CC[C@]3(CC3(F)F)C2)cc1F ZINC000862403358 621585749 /nfs/dbraw/zinc/58/57/49/621585749.db2.gz YVRDUMFNJSPECX-AWEZNQCLSA-N 0 0 302.315 3.262 20 10 DGCDRN CNC(=O)c1ccc(OC)c(NCc2cc(Cl)ccc2O)c1 ZINC000118942577 621591840 /nfs/dbraw/zinc/59/18/40/621591840.db2.gz AFUIGRSAWPJOEK-UHFFFAOYSA-N 0 0 320.776 3.026 20 10 DGCDRN COCCOCc1ccc(NCc2cccc(F)c2O)cc1 ZINC000862531210 621597343 /nfs/dbraw/zinc/59/73/43/621597343.db2.gz DFTUGYGQABADRA-UHFFFAOYSA-N 0 0 305.349 3.306 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)C2(C(F)(F)F)CCCC2)c1 ZINC000862754349 621613133 /nfs/dbraw/zinc/61/31/33/621613133.db2.gz ATJPKCKTYLJBHL-UHFFFAOYSA-N 0 0 301.308 3.440 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CCCc2ccc(F)cc2)c1 ZINC000862753711 621613376 /nfs/dbraw/zinc/61/33/76/621613376.db2.gz GDENUECZNAOBOF-UHFFFAOYSA-N 0 0 301.361 3.479 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)COC[C@@H](C)c2ccccc2)c1 ZINC000862754725 621613655 /nfs/dbraw/zinc/61/36/55/621613655.db2.gz IKDAHWXVRCQHLG-OAHLLOKOSA-N 0 0 313.397 3.137 20 10 DGCDRN CCC(CC)n1nc(C)cc1C(=O)NCc1cc(C)ccc1O ZINC000862757145 621613697 /nfs/dbraw/zinc/61/36/97/621613697.db2.gz IZDXYETZFIUJAK-UHFFFAOYSA-N 0 0 315.417 3.497 20 10 DGCDRN Cc1nc(CC2CC2)sc1C(=O)NCc1cc(C)ccc1O ZINC000862757058 621613899 /nfs/dbraw/zinc/61/38/99/621613899.db2.gz FYLDAZDDZZJIOV-UHFFFAOYSA-N 0 0 316.426 3.348 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)CCc2cccc(N(C)C)c2)c1 ZINC000862757580 621614252 /nfs/dbraw/zinc/61/42/52/621614252.db2.gz ZDVFCWKRHTWZJH-UHFFFAOYSA-N 0 0 312.413 3.016 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2SCCc3sccc32)c1 ZINC000862759373 621614277 /nfs/dbraw/zinc/61/42/77/621614277.db2.gz CPJKPNOBVCVVFA-OAHLLOKOSA-N 0 0 319.451 3.409 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccc(OCC3CC3)cc2)c1 ZINC000862758575 621614292 /nfs/dbraw/zinc/61/42/92/621614292.db2.gz DHTKSXUMAHUPHA-UHFFFAOYSA-N 0 0 311.381 3.419 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)C[C@@H]2OCCc3ccccc32)c1 ZINC000862759592 621614320 /nfs/dbraw/zinc/61/43/20/621614320.db2.gz GVNFLVNDSUGILG-SFHVURJKSA-N 0 0 311.381 3.021 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)c1 ZINC000862760341 621614799 /nfs/dbraw/zinc/61/47/99/621614799.db2.gz QMGXCSJJXDJZBM-HIFRSBDPSA-N 0 0 317.335 3.399 20 10 DGCDRN COC(=O)[C@H](CC1CCCCC1)NCc1cc(F)ccc1O ZINC000756146580 621618618 /nfs/dbraw/zinc/61/86/18/621618618.db2.gz KLNGTLZGYLYSHV-HNNXBMFYSA-N 0 0 309.381 3.133 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]CC2(C(=O)[O-])CCCC2)cc1 ZINC000756299549 621625810 /nfs/dbraw/zinc/62/58/10/621625810.db2.gz HWUACIYOZZMQAL-UHFFFAOYSA-N 0 0 304.434 3.267 20 10 DGCDRN CC[C@H](C[NH2+]Cc1ccc(N(CC)CC)c(F)c1)CC(=O)[O-] ZINC000756311747 621627416 /nfs/dbraw/zinc/62/74/16/621627416.db2.gz WJKSSYDCHQFZFF-ZDUSSCGKSA-N 0 0 310.413 3.262 20 10 DGCDRN COc1ccc(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000756342165 621629328 /nfs/dbraw/zinc/62/93/28/621629328.db2.gz ODJFXEGQCZUINM-LBPRGKRZSA-N 0 0 316.357 3.202 20 10 DGCDRN COC[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756343408 621629541 /nfs/dbraw/zinc/62/95/41/621629541.db2.gz YTFOSITWSBKGNJ-SFYZADRCSA-N 0 0 322.630 3.494 20 10 DGCDRN C[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1cc(F)cc(F)c1[O-] ZINC000756351120 621630038 /nfs/dbraw/zinc/63/00/38/621630038.db2.gz IXGQVMKBMJNTDE-IINYFYTJSA-N 0 0 310.344 3.217 20 10 DGCDRN COc1ccc(OCC[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756357110 621630728 /nfs/dbraw/zinc/63/07/28/621630728.db2.gz BRMZLEMCFXPZGX-NSHDSACASA-N 0 0 323.339 3.409 20 10 DGCDRN C[C@@H]([NH2+]CCCOCC(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000756399714 621635435 /nfs/dbraw/zinc/63/54/35/621635435.db2.gz FTPAFBCNYSOAHY-MRVPVSSYSA-N 0 0 313.266 3.290 20 10 DGCDRN CCC(CC)[C@@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])N(C)C ZINC000756398396 621635448 /nfs/dbraw/zinc/63/54/48/621635448.db2.gz DPECSNKTHWFWJP-MLGOLLRUSA-N 0 0 323.437 3.317 20 10 DGCDRN C[C@H]([NH2+]C[C@H](C)N1CCCC[C@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756412519 621636911 /nfs/dbraw/zinc/63/69/11/621636911.db2.gz UPIZUBFXJXRVMZ-RDBSUJKOSA-N 0 0 321.421 3.214 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000756459573 621640140 /nfs/dbraw/zinc/64/01/40/621640140.db2.gz PKWZZVYINZHPNY-UKRRQHHQSA-N 0 0 303.377 3.033 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCOC2CCCCC2)c1 ZINC000756491594 621641516 /nfs/dbraw/zinc/64/15/16/621641516.db2.gz WIKJQEIASAMBLT-CYBMUJFWSA-N 0 0 321.417 3.179 20 10 DGCDRN Cc1cc(CNC(=O)CC(C)(C)O)c(C)n1-c1cccc(C)c1 ZINC000863161752 621643558 /nfs/dbraw/zinc/64/35/58/621643558.db2.gz JEFWWZPEOOKMMB-UHFFFAOYSA-N 0 0 314.429 3.180 20 10 DGCDRN CC[C@@](C)(CO)C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000863163564 621644194 /nfs/dbraw/zinc/64/41/94/621644194.db2.gz JAAREEQDAXABLH-IBGZPJMESA-N 0 0 314.429 3.119 20 10 DGCDRN Cc1cc(CNC(=O)[C@@H]2CCO[C@@H]2C)c(C)n1-c1ccccc1 ZINC000863165735 621644661 /nfs/dbraw/zinc/64/46/61/621644661.db2.gz MLSGPVJVYBPAKV-CRAIPNDOSA-N 0 0 312.413 3.135 20 10 DGCDRN COCC[C@@H](C)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756528747 621645493 /nfs/dbraw/zinc/64/54/93/621645493.db2.gz WOVKGYLXFVFGGF-RKDXNWHRSA-N 0 0 320.202 3.369 20 10 DGCDRN Cc1nccn1C[C@H](C)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756534207 621645985 /nfs/dbraw/zinc/64/59/85/621645985.db2.gz LFNQTEYWQHQTOV-GHMZBOCLSA-N 0 0 309.360 3.162 20 10 DGCDRN CCCC(O)(CCC)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756592270 621651717 /nfs/dbraw/zinc/65/17/17/621651717.db2.gz GWEMOBAKMCVUAM-GFCCVEGCSA-N 0 0 310.394 3.282 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC(C2CC2)C2CC2)c1 ZINC000756614799 621652894 /nfs/dbraw/zinc/65/28/94/621652894.db2.gz ATNZIRIFPLGUNR-NSHDSACASA-N 0 0 303.402 3.266 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1CSCCS1)c1cc(F)cc(F)c1[O-] ZINC000756640159 621655186 /nfs/dbraw/zinc/65/51/86/621655186.db2.gz KEDTYSXKICRMOF-WCBMZHEXSA-N 0 0 305.415 3.170 20 10 DGCDRN C[C@@H]([NH2+]CCNc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756642352 621655322 /nfs/dbraw/zinc/65/53/22/621655322.db2.gz NBWRXOMJGAGEGS-GFCCVEGCSA-N 0 0 301.346 3.063 20 10 DGCDRN CN(CC(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)OCO2 ZINC000756655431 621656529 /nfs/dbraw/zinc/65/65/29/621656529.db2.gz STJQRUUZUQCRAP-UHFFFAOYSA-N 0 0 318.760 3.144 20 10 DGCDRN CCN(C(=O)CN(C)c1ccc2c(c1)OCO2)C1CCCCC1 ZINC000756654596 621656761 /nfs/dbraw/zinc/65/67/61/621656761.db2.gz JDHSOJOYNFAXAG-UHFFFAOYSA-N 0 0 318.417 3.033 20 10 DGCDRN C[C@@H]([NH2+][C@H](CCO)C1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756660180 621657110 /nfs/dbraw/zinc/65/71/10/621657110.db2.gz KJIGIIVNAKOEEU-MLGOLLRUSA-N 0 0 322.405 3.282 20 10 DGCDRN C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756677182 621658458 /nfs/dbraw/zinc/65/84/58/621658458.db2.gz PZVGMFOMHLEBCX-RULNRJAQSA-N 0 0 311.328 3.426 20 10 DGCDRN C[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1cc(F)cc(F)c1[O-] ZINC000756711861 621659624 /nfs/dbraw/zinc/65/96/24/621659624.db2.gz MUBOJBPTUODVBV-PSLIRLAXSA-N 0 0 311.303 3.194 20 10 DGCDRN CC(C)(C)c1cc(O)c(O)c(CN2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000863306704 621662028 /nfs/dbraw/zinc/66/20/28/621662028.db2.gz OOKSZENHUFBQQY-GOEBONIOSA-N 0 0 305.418 3.149 20 10 DGCDRN C[C@@H]([NH2+]CC[C@@H]1COc2ccccc2O1)c1ccc(F)cc1[O-] ZINC000756763267 621662734 /nfs/dbraw/zinc/66/27/34/621662734.db2.gz WIPUAERFZWJMEE-TZMCWYRMSA-N 0 0 317.360 3.412 20 10 DGCDRN Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])CO2 ZINC000756760390 621663024 /nfs/dbraw/zinc/66/30/24/621663024.db2.gz ONSHIRXUYFIQDY-ABAIWWIYSA-N 0 0 314.341 3.393 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCOC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756770563 621663555 /nfs/dbraw/zinc/66/35/55/621663555.db2.gz WBYOGRWHQFVEQA-VXNVDRBHSA-N 0 0 320.614 3.248 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(Cl)o2)c1 ZINC000756791928 621664880 /nfs/dbraw/zinc/66/48/80/621664880.db2.gz YVMVGXLBRWPHQZ-VIFPVBQESA-N 0 0 309.749 3.276 20 10 DGCDRN CC[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(N(C)C)cc1C ZINC000756984104 621677450 /nfs/dbraw/zinc/67/74/50/621677450.db2.gz CRLSMFBXLKCURB-RHSMWYFYSA-N 0 0 303.450 3.439 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCc1cncc(C)c1 ZINC000119518246 621680345 /nfs/dbraw/zinc/68/03/45/621680345.db2.gz LWLZNWJTVTXGPA-UHFFFAOYSA-N 0 0 313.401 3.217 20 10 DGCDRN CCC[C@H](NC(=O)CN(C)c1ccc(N)cc1)c1ccccc1 ZINC000863557083 621683417 /nfs/dbraw/zinc/68/34/17/621683417.db2.gz HNYGZSKBXINCSV-SFHVURJKSA-N 0 0 311.429 3.363 20 10 DGCDRN CC1CCC(N(C(=O)CN(C)c2ccc(N)cc2)C2CC2)CC1 ZINC000863557500 621683441 /nfs/dbraw/zinc/68/34/41/621683441.db2.gz POIMELNDVOBQBW-UHFFFAOYSA-N 0 0 315.461 3.275 20 10 DGCDRN CCOC[C@@H](O)CNc1ccc(Nc2cccc(OC)c2)cc1 ZINC000863571352 621684411 /nfs/dbraw/zinc/68/44/11/621684411.db2.gz WPIRHFZNZRKWHD-KRWDZBQOSA-N 0 0 316.401 3.248 20 10 DGCDRN CCOc1cccc(CCc2nc(Cc3ccc(N)cc3)no2)c1 ZINC000863656417 621695186 /nfs/dbraw/zinc/69/51/86/621695186.db2.gz PYBWOZYXWVPASF-UHFFFAOYSA-N 0 0 323.396 3.427 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccnn2C(C)C)c1 ZINC000103503227 621697095 /nfs/dbraw/zinc/69/70/95/621697095.db2.gz LSHFHLOVSQOGKT-LLVKDONJSA-N 0 0 318.377 3.061 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCC[C@@H](C)C2)c1 ZINC000103512969 621698485 /nfs/dbraw/zinc/69/84/85/621698485.db2.gz MACLEXOCICBACQ-FRRDWIJNSA-N 0 0 306.406 3.340 20 10 DGCDRN CCCCCCO[C@H](C)C(=O)NCc1cccc(OC)c1O ZINC000839633853 621702560 /nfs/dbraw/zinc/70/25/60/621702560.db2.gz XBJRJPPQHANIHY-CYBMUJFWSA-N 0 0 309.406 3.002 20 10 DGCDRN COc1ccc(O)c(CNC(=O)Cc2cccc(C3CC3)c2)c1 ZINC000839685627 621707336 /nfs/dbraw/zinc/70/73/36/621707336.db2.gz WQCAJLVNPBENKG-UHFFFAOYSA-N 0 0 311.381 3.137 20 10 DGCDRN Oc1ccc(Cl)c(F)c1CNc1cccc(-n2nccn2)c1 ZINC000864043628 621730923 /nfs/dbraw/zinc/73/09/23/621730923.db2.gz MSVYAMVTFLZURO-UHFFFAOYSA-N 0 0 318.739 3.378 20 10 DGCDRN COCC[C@H](Cc1ccco1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000757658159 621731734 /nfs/dbraw/zinc/73/17/34/621731734.db2.gz WQDBAWLFGGJICN-GXTWGEPZSA-N 0 0 307.365 3.423 20 10 DGCDRN COC(=O)c1cc(F)ccc1COc1ccc(N(C)C)cc1 ZINC000757705826 621734900 /nfs/dbraw/zinc/73/49/00/621734900.db2.gz YUXHVFDXALLEQT-UHFFFAOYSA-N 0 0 303.333 3.257 20 10 DGCDRN COc1ccc(N(C)C[C@@H](O)Cc2ccccc2)cc1Cl ZINC000757856875 621743438 /nfs/dbraw/zinc/74/34/38/621743438.db2.gz IFJUYNJASBOLRP-HNNXBMFYSA-N 0 0 305.805 3.388 20 10 DGCDRN Cc1cc([N+](=O)[O-])ccc1CN(C)c1ccc2c(c1)OCO2 ZINC000757878455 621744747 /nfs/dbraw/zinc/74/47/47/621744747.db2.gz ZPNINPVSKXVOPO-UHFFFAOYSA-N 0 0 300.314 3.268 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[N@H+](C)Cc2ccncc2)c1 ZINC000757887731 621745139 /nfs/dbraw/zinc/74/51/39/621745139.db2.gz JIZQKVWVDCUUKJ-UHFFFAOYSA-N 0 0 321.218 3.490 20 10 DGCDRN CC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000757920898 621746811 /nfs/dbraw/zinc/74/68/11/621746811.db2.gz STALFBAFYHVQFB-AWEZNQCLSA-N 0 0 303.761 3.006 20 10 DGCDRN CCc1ccc(S(=O)(=O)Nc2ccc(O)cc2F)cc1CC ZINC000758168558 621762753 /nfs/dbraw/zinc/76/27/53/621762753.db2.gz CEMXPPRPKZLWQT-UHFFFAOYSA-N 0 0 323.389 3.457 20 10 DGCDRN Cc1cc(NC(=O)NCc2ccc3c(c2)CCCN3C)ccn1 ZINC000120051886 621768566 /nfs/dbraw/zinc/76/85/66/621768566.db2.gz JMSPSSFZZNJJOF-UHFFFAOYSA-N 0 0 310.401 3.094 20 10 DGCDRN CC[C@H]1CN(C)c2ccccc2CN1C(=O)C1=CC(=O)CS1 ZINC000758311471 621774569 /nfs/dbraw/zinc/77/45/69/621774569.db2.gz NEKROSTYLDSUKA-ZDUSSCGKSA-N 0 0 316.426 3.325 20 10 DGCDRN CN(C)c1cc(F)c(C[NH2+]CCCCCCC(=O)[O-])cc1F ZINC000864504108 621775214 /nfs/dbraw/zinc/77/52/14/621775214.db2.gz OKDKIAFXHODRKL-UHFFFAOYSA-N 0 0 314.376 3.156 20 10 DGCDRN CCOC(=O)c1ccc(NCc2cc(C)c(C)cc2O)cn1 ZINC000758450107 621782890 /nfs/dbraw/zinc/78/28/90/621782890.db2.gz TUYGBJKRQJYOLZ-UHFFFAOYSA-N 0 0 300.358 3.193 20 10 DGCDRN O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1cccc(O)c1O ZINC000758547464 621788005 /nfs/dbraw/zinc/78/80/05/621788005.db2.gz LRVPYKJYUUVOKD-UHFFFAOYSA-N 0 0 323.688 3.016 20 10 DGCDRN CC(C)[C@H](OC(=O)c1cccc(O)c1O)C(=O)c1ccccc1 ZINC000758548159 621788386 /nfs/dbraw/zinc/78/83/86/621788386.db2.gz POPNDIUOYQYLCN-KRWDZBQOSA-N 0 0 314.337 3.162 20 10 DGCDRN CCO[C@H](C)c1nc(COC(=O)c2cccc(O)c2O)cs1 ZINC000758574068 621789957 /nfs/dbraw/zinc/78/99/57/621789957.db2.gz ZPANSYUYXIGNJP-SECBINFHSA-N 0 0 323.370 3.009 20 10 DGCDRN COc1cc(Cl)cc([C@H]2NC(=O)c3ccc(F)cc3N2)c1O ZINC000758819408 621802898 /nfs/dbraw/zinc/80/28/98/621802898.db2.gz KUEICGMHSOJYQN-CQSZACIVSA-N 0 0 322.723 3.047 20 10 DGCDRN Cc1ccc(C(C)(C)[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000759186904 621833613 /nfs/dbraw/zinc/83/36/13/621833613.db2.gz VWLJMXBVYLCRSX-UHFFFAOYSA-N 0 0 301.346 3.029 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCCc1cccc(F)c1F ZINC000759589297 621873628 /nfs/dbraw/zinc/87/36/28/621873628.db2.gz QZDIMTSZZOZMJG-ALCCZGGFSA-N 0 0 320.291 3.175 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CC1(O)CCC1 ZINC000760079489 621914526 /nfs/dbraw/zinc/91/45/26/621914526.db2.gz WPAXESYBWGXQQZ-UHFFFAOYSA-N 0 0 318.442 3.143 20 10 DGCDRN Brc1ncccc1CNCc1ccc2c(c1)CCO2 ZINC000865441618 621922048 /nfs/dbraw/zinc/92/20/48/621922048.db2.gz WMFILKSCCRNBME-UHFFFAOYSA-N 0 0 319.202 3.069 20 10 DGCDRN CSCC[C@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000120562291 621927461 /nfs/dbraw/zinc/92/74/61/621927461.db2.gz PANCWXCUYGVFPE-LBPRGKRZSA-N 0 0 317.458 3.361 20 10 DGCDRN COc1ccc(O)c(CN2CCOc3c(Cl)cccc32)c1 ZINC000789571192 625526203 /nfs/dbraw/zinc/52/62/03/625526203.db2.gz LKUDWHOXKZOEHS-UHFFFAOYSA-N 0 0 305.761 3.453 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCC[C@H]2CCCCO2)c1 ZINC000760905147 621973464 /nfs/dbraw/zinc/97/34/64/621973464.db2.gz JLDBPUYBUZAUDC-DZGCQCFKSA-N 0 0 321.417 3.179 20 10 DGCDRN CCN(CCC1CC1)C(=O)NCCCSc1nccs1 ZINC000760997219 621978826 /nfs/dbraw/zinc/97/88/26/621978826.db2.gz LINDANRLYSOFMJ-UHFFFAOYSA-N 0 0 313.492 3.457 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000865761849 621990744 /nfs/dbraw/zinc/99/07/44/621990744.db2.gz IMXQTYILNRNIRN-MEDUHNTESA-N 0 0 313.800 3.480 20 10 DGCDRN CCOC1CC(CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000789583567 625529898 /nfs/dbraw/zinc/52/98/98/625529898.db2.gz ACSXGMHSDPCTAM-UHFFFAOYSA-N 0 0 301.789 3.480 20 10 DGCDRN CCOc1cccc(CN(C)c2ccc(OC)c(OC)c2)c1O ZINC000761220376 621995400 /nfs/dbraw/zinc/99/54/00/621995400.db2.gz BJUSKIUJTBZZEJ-UHFFFAOYSA-N 0 0 317.385 3.445 20 10 DGCDRN COc1cc(CN(C)c2ccc(OC)c(OC)c2)cc(OC)c1 ZINC000761222907 621995723 /nfs/dbraw/zinc/99/57/23/621995723.db2.gz UOODHXLSPMFDES-UHFFFAOYSA-N 0 0 317.385 3.357 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2c(F)cccc2OC)c1 ZINC000761541837 622015679 /nfs/dbraw/zinc/01/56/79/622015679.db2.gz OIWIIZVMZUKYMC-SNVBAGLBSA-N 0 0 319.332 3.040 20 10 DGCDRN CN1CCCc2cc(CNC(=O)C3Cc4ccccc4C3)ccc21 ZINC000761669261 622023499 /nfs/dbraw/zinc/02/34/99/622023499.db2.gz JDCWWMRCQKARMD-UHFFFAOYSA-N 0 0 320.436 3.100 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCSC1 ZINC000761855515 622034039 /nfs/dbraw/zinc/03/40/39/622034039.db2.gz OLDWEQLCEKBRAA-INIZCTEOSA-N 0 0 318.486 3.388 20 10 DGCDRN Cc1ncc([C@@H](C)NC(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000866077411 622042840 /nfs/dbraw/zinc/04/28/40/622042840.db2.gz TXVXYVZOSJQPGQ-LLVKDONJSA-N 0 0 318.446 3.078 20 10 DGCDRN COc1cc([N+](=O)[O-])c(N2CC3(CCC3)C[C@H]2C)cc1OC ZINC000763035727 622118263 /nfs/dbraw/zinc/11/82/63/622118263.db2.gz MOTOSLMQIWPSOR-LLVKDONJSA-N 0 0 306.362 3.381 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)C1(C(C)C)CC1 ZINC000866443250 622119141 /nfs/dbraw/zinc/11/91/41/622119141.db2.gz ZPFSDVYSVMKDJB-UHFFFAOYSA-N 0 0 324.490 3.093 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1c2ccccc2CN1C)c1ccc(F)cc1[O-] ZINC000866563007 622138945 /nfs/dbraw/zinc/13/89/45/622138945.db2.gz IMNVLWLHCNVZJX-SJKOYZFVSA-N 0 0 300.377 3.369 20 10 DGCDRN Cc1ccc([C@@H](C)[NH2+]CCc2cn(C)c3ncccc23)c(O)c1 ZINC000866574521 622141320 /nfs/dbraw/zinc/14/13/20/622141320.db2.gz WNBCURCTAXHYFN-CQSZACIVSA-N 0 0 309.413 3.481 20 10 DGCDRN C[C@H](Nc1cccc2c1NC(=O)CO2)c1ccc(N(C)C)cc1 ZINC000866631052 622150273 /nfs/dbraw/zinc/15/02/73/622150273.db2.gz CTSFSTCLXZLQDE-LBPRGKRZSA-N 0 0 311.385 3.257 20 10 DGCDRN CO[C@]1(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])CCOC1 ZINC000763575588 622153118 /nfs/dbraw/zinc/15/31/18/622153118.db2.gz YJFVLWSWOQXUAN-OTYXRUKQSA-N 0 0 320.216 3.155 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2nc(C(C)(C)C)cs2)c1 ZINC000866767554 622163073 /nfs/dbraw/zinc/16/30/73/622163073.db2.gz UCWLTOMMXOMZKB-UHFFFAOYSA-N 0 0 320.414 3.085 20 10 DGCDRN Cc1cc(C(=O)N[C@@H]2CCC(F)(F)C2)c(C)n1-c1ccccn1 ZINC000763869566 622166518 /nfs/dbraw/zinc/16/65/18/622166518.db2.gz HDZWOEHTGYEMNH-CYBMUJFWSA-N 0 0 319.355 3.407 20 10 DGCDRN CO/C(=C/c1ccccc1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000763995313 622174158 /nfs/dbraw/zinc/17/41/58/622174158.db2.gz MILIWWJGUZGUSF-XMHGGMMESA-N 0 0 324.424 3.399 20 10 DGCDRN COc1ccc(N(C)Cc2nc(-c3ccco3)no2)cc1F ZINC000121804126 622183807 /nfs/dbraw/zinc/18/38/07/622183807.db2.gz OFPYRUWUCFXJSC-UHFFFAOYSA-N 0 0 303.293 3.114 20 10 DGCDRN CC[C@@H]1CCCCN1C(=O)CN(C)c1ccc(OC)c(F)c1 ZINC000121819064 622184208 /nfs/dbraw/zinc/18/42/08/622184208.db2.gz NVECBZXRPNTCKN-CYBMUJFWSA-N 0 0 308.397 3.062 20 10 DGCDRN COc1ccc(N(C)C[C@H](O)COc2ccccc2)cc1Cl ZINC000121894549 622190145 /nfs/dbraw/zinc/19/01/45/622190145.db2.gz GJOPNIOAGOYBKB-AWEZNQCLSA-N 0 0 321.804 3.225 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H](C)CCc1ccco1)c1ccccc1O ZINC000867984831 622200045 /nfs/dbraw/zinc/20/00/45/622200045.db2.gz PHNIHUBJMPBPJA-QWHCGFSZSA-N 0 0 302.374 3.367 20 10 DGCDRN CC1(C)CCC[C@](O)(CNC(=O)Nc2ccc(N)cc2)CC1 ZINC000868164194 622220691 /nfs/dbraw/zinc/22/06/91/622220691.db2.gz VUPJZDDSANJTKU-QGZVFWFLSA-N 0 0 305.422 3.112 20 10 DGCDRN Cc1cc(N)cc(NC(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000868194139 622224015 /nfs/dbraw/zinc/22/40/15/622224015.db2.gz KBVSOZCQYXNHPJ-UHFFFAOYSA-N 0 0 324.428 3.499 20 10 DGCDRN CC(C)c1cc(CNC(=O)N[C@@H](C)c2ccccc2O)on1 ZINC000868256785 622228562 /nfs/dbraw/zinc/22/85/62/622228562.db2.gz PVSRQXRRQHXCML-NSHDSACASA-N 0 0 303.362 3.064 20 10 DGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCCC12CC2 ZINC000868298315 622231954 /nfs/dbraw/zinc/23/19/54/622231954.db2.gz QRHUXWVXYLNNGX-QGZVFWFLSA-N 0 0 311.429 3.195 20 10 DGCDRN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCc1cc(Br)ccc1O ZINC000868307139 622232504 /nfs/dbraw/zinc/23/25/04/622232504.db2.gz PTSIHNUGICJHEI-GHORINQJSA-N 0 0 324.218 3.063 20 10 DGCDRN COc1ccc(N2CCN(c3ncc(Cl)s3)CC2)cc1 ZINC000764999517 622238806 /nfs/dbraw/zinc/23/88/06/622238806.db2.gz GSMDUPWCDOWCPR-UHFFFAOYSA-N 0 0 309.822 3.132 20 10 DGCDRN CCc1noc(CC)c1CNC(=O)N[C@H](C)c1ccccc1O ZINC000868385298 622239461 /nfs/dbraw/zinc/23/94/61/622239461.db2.gz OVTMBEUUACKAKD-LLVKDONJSA-N 0 0 317.389 3.065 20 10 DGCDRN C[C@@H](NC(=O)NCC(C)(C)[C@@H]1CCCCO1)c1ccccc1O ZINC000868397987 622240326 /nfs/dbraw/zinc/24/03/26/622240326.db2.gz HHIQKHQUXYGRKR-CJNGLKHVSA-N 0 0 320.433 3.348 20 10 DGCDRN Cc1ccc2c(c1)[C@H](NC(=O)N[C@@H](C)c1ccccc1O)CO2 ZINC000868410940 622241800 /nfs/dbraw/zinc/24/18/00/622241800.db2.gz QTAHKZZPPXTMAQ-SWLSCSKDSA-N 0 0 312.369 3.195 20 10 DGCDRN COC1(CNC(=O)N[C@H](C)c2ccccc2O)CCCCC1 ZINC000868551800 622256753 /nfs/dbraw/zinc/25/67/53/622256753.db2.gz WOOCNBWPMYMJJQ-CYBMUJFWSA-N 0 0 306.406 3.102 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1c2ccccc2O[C@H]1C)c1ccccc1O ZINC000868617171 622264375 /nfs/dbraw/zinc/26/43/75/622264375.db2.gz ABRYQBFRDBEBNI-PEBVRCNWSA-N 0 0 312.369 3.275 20 10 DGCDRN C[C@H](NC(=O)N[C@H](C1CC1)C(F)(F)F)c1ccccc1O ZINC000868617090 622264438 /nfs/dbraw/zinc/26/44/38/622264438.db2.gz DSMWSNTWGUIEGI-QPUJVOFHSA-N 0 0 302.296 3.093 20 10 DGCDRN C[C@H](NC(=O)N[C@@H](C1CC1)C(F)(F)F)c1ccccc1O ZINC000868617091 622264479 /nfs/dbraw/zinc/26/44/79/622264479.db2.gz DSMWSNTWGUIEGI-UFBFGSQYSA-N 0 0 302.296 3.093 20 10 DGCDRN CN(C)c1ccccc1NCc1ccc(N2CCOCC2)cc1 ZINC000122264275 622273992 /nfs/dbraw/zinc/27/39/92/622273992.db2.gz WRKVGZDXCXHYAP-UHFFFAOYSA-N 0 0 311.429 3.201 20 10 DGCDRN C[C@@H](NC(=O)N[C@H]1C[C@@]1(F)c1ccccc1)c1ccccc1O ZINC000868725804 622278016 /nfs/dbraw/zinc/27/80/16/622278016.db2.gz PHNSGVLNJHYQML-PZPSRYQVSA-N 0 0 314.360 3.390 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H]1C[C@]1(F)c1ccccc1)c1ccccc1O ZINC000868725800 622278042 /nfs/dbraw/zinc/27/80/42/622278042.db2.gz PHNSGVLNJHYQML-NJAPINKUSA-N 0 0 314.360 3.390 20 10 DGCDRN CC[C@@H]1C[C@H](CN2CCOc3cc(N(C)C)ccc32)CCO1 ZINC000765653595 622279780 /nfs/dbraw/zinc/27/97/80/622279780.db2.gz APBRVXDBFKUUGY-GDBMZVCRSA-N 0 0 304.434 3.157 20 10 DGCDRN COc1cc(O)c(CN2C[C@H](C)Oc3ccccc32)cc1OC ZINC000765652727 622279782 /nfs/dbraw/zinc/27/97/82/622279782.db2.gz XXDFOZFLBQTTJV-LBPRGKRZSA-N 0 0 315.369 3.197 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1ccc2c(c1)ncn2C ZINC000765657482 622280186 /nfs/dbraw/zinc/28/01/86/622280186.db2.gz KKDWENLPSGEQEC-UHFFFAOYSA-N 0 0 322.412 3.038 20 10 DGCDRN O=C(NCc1cccc(Br)c1O)C1(F)CCCC1 ZINC000765755122 622285334 /nfs/dbraw/zinc/28/53/34/622285334.db2.gz FWKLVWBJKOTLSA-UHFFFAOYSA-N 0 0 316.170 3.053 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H](CO)C(C)C)cc1 ZINC000805315089 622293106 /nfs/dbraw/zinc/29/31/06/622293106.db2.gz OYIIGNIALICCAB-KRWDZBQOSA-N 0 0 314.429 3.088 20 10 DGCDRN Cc1ccc(Cl)cc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000122328742 622296724 /nfs/dbraw/zinc/29/67/24/622296724.db2.gz LGXSRMZEGABTGG-UHFFFAOYSA-N 0 0 305.761 3.032 20 10 DGCDRN COc1ccc2c(c1)CCCCN2C(=O)/C=C\c1cccnc1 ZINC000766053518 622302655 /nfs/dbraw/zinc/30/26/55/622302655.db2.gz VKCPDBJQQVYARP-YFHOEESVSA-N 0 0 308.381 3.473 20 10 DGCDRN C[C@@H](NC(=O)N[C@H](C1CCC1)[C@@H]1CCCO1)c1ccccc1O ZINC000868988704 622306744 /nfs/dbraw/zinc/30/67/44/622306744.db2.gz AZIIZEGSKZSRHV-OAUYIBNBSA-N 0 0 318.417 3.100 20 10 DGCDRN CCOc1ccc(CNc2nc3c(cccc3F)n2C)c(O)c1 ZINC000766108481 622306868 /nfs/dbraw/zinc/30/68/68/622306868.db2.gz ORDBPPWIZKLYOQ-UHFFFAOYSA-N 0 0 315.348 3.429 20 10 DGCDRN COCC1(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 ZINC000766121765 622307847 /nfs/dbraw/zinc/30/78/47/622307847.db2.gz HMWZOILQARYGBQ-UHFFFAOYSA-N 0 0 316.376 3.142 20 10 DGCDRN C[C@H](NC(=O)c1coc(C2CCC2)n1)c1ccc(N(C)C)cc1 ZINC000766910001 622360817 /nfs/dbraw/zinc/36/08/17/622360817.db2.gz MRICGYSFHXVVOJ-LBPRGKRZSA-N 0 0 313.401 3.499 20 10 DGCDRN C[C@H](NC(=O)[C@H]1CCCc2cccnc21)c1ccc(N(C)C)cc1 ZINC000766908788 622360994 /nfs/dbraw/zinc/36/09/94/622360994.db2.gz DUDYNUZLWFJHEQ-KSSFIOAISA-N 0 0 323.440 3.445 20 10 DGCDRN Cc1ccc(C(=O)OCCC(Cl)(Cl)Cl)c(O)c1O ZINC000767522736 622403941 /nfs/dbraw/zinc/40/39/41/622403941.db2.gz IKJGBKSTHAYFAI-UHFFFAOYSA-N 0 0 313.564 3.323 20 10 DGCDRN Cc1ccc(-c2cc(C(=O)NCc3ccccc3O)[nH]n2)cc1 ZINC000767925513 622428814 /nfs/dbraw/zinc/42/88/14/622428814.db2.gz CFADHUGFTWYOPW-UHFFFAOYSA-N 0 0 307.353 3.021 20 10 DGCDRN O=[N+]([O-])c1c(F)nccc1NCc1ccc(N2CCCC2)cc1 ZINC000881804614 625566132 /nfs/dbraw/zinc/56/61/32/625566132.db2.gz MRJJVNSHDQEZOH-UHFFFAOYSA-N 0 0 316.336 3.341 20 10 DGCDRN CSCCCN1C(=O)/C(=C/c2ccc(C)cn2)SC1=S ZINC000122975527 622438691 /nfs/dbraw/zinc/43/86/91/622438691.db2.gz GHAOHGLVTNKKJS-WQLSENKSSA-N 0 0 324.496 3.344 20 10 DGCDRN Cc1cccc2c1C(=O)N[C@H](c1cc(Cl)cc(F)c1O)N2 ZINC000768265259 622448209 /nfs/dbraw/zinc/44/82/09/622448209.db2.gz ASYOWESKZSQQCZ-CQSZACIVSA-N 0 0 306.724 3.347 20 10 DGCDRN Oc1cc2c(cc1CN1CCOC[C@H]1C(F)(F)F)CCCC2 ZINC000768446230 622456823 /nfs/dbraw/zinc/45/68/23/622456823.db2.gz LNDUTMRFIOYZBT-HNNXBMFYSA-N 0 0 315.335 3.034 20 10 DGCDRN CCc1ccccc1CCOC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000768774877 622476481 /nfs/dbraw/zinc/47/64/81/622476481.db2.gz NOOMKAOYBBYKLF-NTMALXAHSA-N 0 0 312.365 3.459 20 10 DGCDRN CSc1ccc(C)c(C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000768901276 622484462 /nfs/dbraw/zinc/48/44/62/622484462.db2.gz YUHGJMOTPLBFMM-UHFFFAOYSA-N 0 0 317.410 3.101 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CC3CCC2CC3)c1 ZINC000769189162 622506535 /nfs/dbraw/zinc/50/65/35/622506535.db2.gz SZZCQVSLBBOIRF-PIISCBOPSA-N 0 0 318.417 3.340 20 10 DGCDRN O=C(C1=CC(=O)CS1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000769250131 622510932 /nfs/dbraw/zinc/51/09/32/622510932.db2.gz JJVCELUCWFGDNL-CYBMUJFWSA-N 0 0 302.399 3.170 20 10 DGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCC(C(F)F)CC2)c1[O-] ZINC000769445373 622528012 /nfs/dbraw/zinc/52/80/12/622528012.db2.gz GIRXDAAQHRKZQC-UHFFFAOYSA-N 0 0 320.723 3.431 20 10 DGCDRN CC(C)OCCC[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769463175 622529525 /nfs/dbraw/zinc/52/95/25/622529525.db2.gz NSOGNSGWVUOOGJ-UHFFFAOYSA-N 0 0 316.785 3.201 20 10 DGCDRN COCCN(Cc1ccc(C)o1)Cc1ccc(N(C)C)c(F)c1 ZINC000769501666 622534905 /nfs/dbraw/zinc/53/49/05/622534905.db2.gz LZHFKGOCFZPBOK-UHFFFAOYSA-N 0 0 320.408 3.442 20 10 DGCDRN CS[C@H]1C[C@H](NC(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000871093457 622547704 /nfs/dbraw/zinc/54/77/04/622547704.db2.gz CWHIVLFQCJZMLY-HDJSIYSDSA-N 0 0 315.442 3.113 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2coc(C3CCCC3)n2)cc1 ZINC000769678148 622548830 /nfs/dbraw/zinc/54/88/30/622548830.db2.gz HSIQKMVXMIIDNH-UHFFFAOYSA-N 0 0 313.401 3.328 20 10 DGCDRN COc1cc(C)c(NC(=O)c2ccc(C)c(O)c2O)cc1C ZINC000769699756 622551031 /nfs/dbraw/zinc/55/10/31/622551031.db2.gz KHNTXBCXVNLZSH-UHFFFAOYSA-N 0 0 301.342 3.284 20 10 DGCDRN COc1ccc(O)c(CNC(=O)c2cccc(C)c2Cl)c1 ZINC000123510237 622554523 /nfs/dbraw/zinc/55/45/23/622554523.db2.gz MCHJGMHAICVTSW-UHFFFAOYSA-N 0 0 305.761 3.293 20 10 DGCDRN COc1ccc(N(C)Cc2nncn2-c2ccccc2)cc1F ZINC000769726403 622554923 /nfs/dbraw/zinc/55/49/23/622554923.db2.gz AETMKVOARXHYFW-UHFFFAOYSA-N 0 0 312.348 3.051 20 10 DGCDRN COc1ccc(NC(=S)NNc2c(C)cccc2F)cc1 ZINC000769764236 622558315 /nfs/dbraw/zinc/55/83/15/622558315.db2.gz WOGDVKGSMYOZIW-UHFFFAOYSA-N 0 0 305.378 3.456 20 10 DGCDRN CN(Cc1ccc(C(F)(F)F)cn1)c1ccc2c(c1)OCO2 ZINC000769765147 622558546 /nfs/dbraw/zinc/55/85/46/622558546.db2.gz NRSRDUZTNCVZLS-UHFFFAOYSA-N 0 0 310.275 3.466 20 10 DGCDRN CC(C)Cc1nc(C(=O)N2Cc3cccc(O)c3C2)cs1 ZINC000871200856 622566584 /nfs/dbraw/zinc/56/65/84/622566584.db2.gz KPVPTCMHYFVPLX-UHFFFAOYSA-N 0 0 302.399 3.203 20 10 DGCDRN O=C(c1ccccc1OCC1CC1)N1Cc2cccc(O)c2C1 ZINC000871200332 622566587 /nfs/dbraw/zinc/56/65/87/622566587.db2.gz APQJNJJJHIWYKP-UHFFFAOYSA-N 0 0 309.365 3.337 20 10 DGCDRN CC(C)c1ccc(OCC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871199898 622566593 /nfs/dbraw/zinc/56/65/93/622566593.db2.gz VVYXWBCDUITONX-UHFFFAOYSA-N 0 0 311.381 3.437 20 10 DGCDRN O=C(CCCc1ccc(O)c(F)c1)N1Cc2cccc(O)c2C1 ZINC000871203787 622567170 /nfs/dbraw/zinc/56/71/70/622567170.db2.gz GVPZZRKCUCWGHN-UHFFFAOYSA-N 0 0 315.344 3.102 20 10 DGCDRN Cc1c(C(=O)N2Cc3cccc(O)c3C2)cnn1CCC(C)C ZINC000871203927 622567203 /nfs/dbraw/zinc/56/72/03/622567203.db2.gz VQJQQBIVLBKEHV-UHFFFAOYSA-N 0 0 313.401 3.099 20 10 DGCDRN COc1ccc2c(c1)[C@H](C(=O)N1Cc3cccc(O)c3C1)CCC2 ZINC000871204038 622567390 /nfs/dbraw/zinc/56/73/90/622567390.db2.gz AURLJXKJKOENKA-MRXNPFEDSA-N 0 0 323.392 3.363 20 10 DGCDRN O=C(c1cc(Cl)nc(C2CC2)c1)N1Cc2cccc(O)c2C1 ZINC000871204133 622567430 /nfs/dbraw/zinc/56/74/30/622567430.db2.gz DCIKRMUQKFVBGO-UHFFFAOYSA-N 0 0 314.772 3.474 20 10 DGCDRN O=C(CC[C@H]1CC1(Cl)Cl)N1Cc2cccc(O)c2C1 ZINC000871205746 622567834 /nfs/dbraw/zinc/56/78/34/622567834.db2.gz KQFMQXPHRMZZDK-JTQLQIEISA-N 0 0 300.185 3.208 20 10 DGCDRN CC1(C)Cc2cccc(C(=O)N3Cc4cccc(O)c4C3)c2O1 ZINC000871205871 622567889 /nfs/dbraw/zinc/56/78/89/622567889.db2.gz MAQORRWHYFYGQI-UHFFFAOYSA-N 0 0 309.365 3.262 20 10 DGCDRN CC(C)(C)OC1CC(CC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871204700 622568135 /nfs/dbraw/zinc/56/81/35/622568135.db2.gz PKGCCBZTHHOVHQ-UHFFFAOYSA-N 0 0 303.402 3.218 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCO[C@H](C)C1 ZINC000770230500 622614660 /nfs/dbraw/zinc/61/46/60/622614660.db2.gz SGINKCAXXYEBQX-KGLIPLIRSA-N 0 0 318.442 3.453 20 10 DGCDRN CCS[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C)c(O)c1O ZINC000770506247 622640461 /nfs/dbraw/zinc/64/04/61/622640461.db2.gz OMWZKGZKEGJWCF-STQMWFEESA-N 0 0 309.431 3.200 20 10 DGCDRN CC(C)N(Cc1ccccc1O)Cc1nc2ccccc2c(=O)[nH]1 ZINC000770508688 622640473 /nfs/dbraw/zinc/64/04/73/622640473.db2.gz DZSJTPHWQJQOPF-UHFFFAOYSA-N 0 0 323.396 3.452 20 10 DGCDRN CCOc1cccc(F)c1/C=C1\SC(=S)N(CC)C1=O ZINC000871598466 622645069 /nfs/dbraw/zinc/64/50/69/622645069.db2.gz QDBXXLHPNGFZRT-WQLSENKSSA-N 0 0 311.403 3.446 20 10 DGCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)CCC2CC2)cc1 ZINC000770659378 622657781 /nfs/dbraw/zinc/65/77/81/622657781.db2.gz XKRBHPIPJIGYLA-UHFFFAOYSA-N 0 0 324.490 3.095 20 10 DGCDRN O=C(N[C@H]1CCSc2ccccc21)c1c(F)ccc(O)c1O ZINC000789944662 625585397 /nfs/dbraw/zinc/58/53/97/625585397.db2.gz VJUOLNIKMJFCLF-NSHDSACASA-N 0 0 319.357 3.204 20 10 DGCDRN FC(F)COc1ccccc1NCc1nccn1CC(F)F ZINC000871829647 622708835 /nfs/dbraw/zinc/70/88/35/622708835.db2.gz RMJZGOZGKQUUJJ-UHFFFAOYSA-N 0 0 317.286 3.404 20 10 DGCDRN CCOc1cccc([C@H](C)NC(=O)c2c(F)ccc(O)c2O)c1 ZINC000789964280 625588544 /nfs/dbraw/zinc/58/85/44/625588544.db2.gz VCRRGCXTURPJHL-JTQLQIEISA-N 0 0 319.332 3.127 20 10 DGCDRN CCN(CC(F)(F)F)C(=O)CNc1ccccc1NC(C)C ZINC000871845950 622714542 /nfs/dbraw/zinc/71/45/42/622714542.db2.gz HTHNGRSCLZAXAK-UHFFFAOYSA-N 0 0 317.355 3.330 20 10 DGCDRN O=c1ccc(-c2noc(-c3ccc(-n4cccc4)cc3)n2)c[nH]1 ZINC000771186419 622724216 /nfs/dbraw/zinc/72/42/16/622724216.db2.gz GZKZNRCHOFGPJB-UHFFFAOYSA-N 0 0 304.309 3.295 20 10 DGCDRN C[C@H](c1ccccc1)[C@H](C)NC(=O)c1c(F)ccc(O)c1O ZINC000789991708 625591847 /nfs/dbraw/zinc/59/18/47/625591847.db2.gz ZLQFTAXGJRYLHH-QWRGUYRKSA-N 0 0 303.333 3.159 20 10 DGCDRN Cc1ccc(O)c(CNc2nnc(CC(F)(F)F)s2)c1 ZINC000771756666 622793335 /nfs/dbraw/zinc/79/33/35/622793335.db2.gz JGBRPJCJBOJJFR-UHFFFAOYSA-N 0 0 303.309 3.269 20 10 DGCDRN C[C@@H](Nc1ccc(C(=O)N(C)C)cn1)c1ccc(N(C)C)cc1 ZINC000772295489 622881556 /nfs/dbraw/zinc/88/15/56/622881556.db2.gz GVJSNOAEGWWDJZ-CYBMUJFWSA-N 0 0 312.417 3.023 20 10 DGCDRN COCCOc1cccc(CN2CCc3cc(OC)ccc32)c1 ZINC000772599987 622916754 /nfs/dbraw/zinc/91/67/54/622916754.db2.gz QQQMZNBFNMKGSB-UHFFFAOYSA-N 0 0 313.397 3.283 20 10 DGCDRN COc1cc(SC)ccc1NC(=O)NCc1ccccc1O ZINC000772639759 622921658 /nfs/dbraw/zinc/92/16/58/622921658.db2.gz HBAIWTSHLQGIGE-UHFFFAOYSA-N 0 0 318.398 3.444 20 10 DGCDRN Cc1c(F)ncnc1N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000872501987 622925106 /nfs/dbraw/zinc/92/51/06/622925106.db2.gz OQUYDYNJAFFRMF-UHFFFAOYSA-N 0 0 304.756 3.266 20 10 DGCDRN CC(C)[C@@]1(C)C[C@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000772946161 622955601 /nfs/dbraw/zinc/95/56/01/622955601.db2.gz HUKRFUHEOCOFRR-QFBILLFUSA-N 0 0 300.446 3.367 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)C2(CCOC)CC2)cc1 ZINC000772973672 622959476 /nfs/dbraw/zinc/95/94/76/622959476.db2.gz CXGINTGHFLNZKQ-UHFFFAOYSA-N 0 0 318.461 3.308 20 10 DGCDRN COc1ccc(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000772996343 622963367 /nfs/dbraw/zinc/96/33/67/622963367.db2.gz DERNHIUDJSREHA-CQSZACIVSA-N 0 0 312.413 3.181 20 10 DGCDRN CCn1nc(C)c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1C ZINC000773007406 622964886 /nfs/dbraw/zinc/96/48/86/622964886.db2.gz IOCJFKXOMLHJLO-GFCCVEGCSA-N 0 0 314.433 3.077 20 10 DGCDRN C[C@@H](NC(=O)c1cnn(C(C)(C)C)c1)c1ccc(N(C)C)cc1 ZINC000773005825 622965031 /nfs/dbraw/zinc/96/50/31/622965031.db2.gz DAMFCYFKZABQOO-CYBMUJFWSA-N 0 0 314.433 3.195 20 10 DGCDRN C[C@H](NC(=O)c1noc2c1CCCC2)c1ccc(N(C)C)cc1 ZINC000773008313 622965160 /nfs/dbraw/zinc/96/51/60/622965160.db2.gz NPFMNQSZDWDERI-LBPRGKRZSA-N 0 0 313.401 3.110 20 10 DGCDRN C[C@@H](NC(=O)[C@@H]1CC1(Cl)Cl)c1ccc(N(C)C)cc1 ZINC000773008896 622965256 /nfs/dbraw/zinc/96/52/56/622965256.db2.gz HYTOZXRMKCYDGS-SKDRFNHKSA-N 0 0 301.217 3.124 20 10 DGCDRN CCOc1cccnc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773012087 622965950 /nfs/dbraw/zinc/96/59/50/622965950.db2.gz FVFJQESTZCXUHR-CYBMUJFWSA-N 0 0 313.401 3.037 20 10 DGCDRN C[C@@H](NC(=O)c1ccncc1Cl)c1ccc(N(C)C)cc1 ZINC000773014385 622966918 /nfs/dbraw/zinc/96/69/18/622966918.db2.gz IMSNIFZZNGZAAG-LLVKDONJSA-N 0 0 303.793 3.292 20 10 DGCDRN CCOc1ncccc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773017659 622967880 /nfs/dbraw/zinc/96/78/80/622967880.db2.gz URDKUPDLELVWMR-CYBMUJFWSA-N 0 0 313.401 3.037 20 10 DGCDRN C[C@@H](NC(=O)c1scnc1Cl)c1ccc(N(C)C)cc1 ZINC000773019503 622968719 /nfs/dbraw/zinc/96/87/19/622968719.db2.gz YAFXXAYBZCXAIG-SECBINFHSA-N 0 0 309.822 3.354 20 10 DGCDRN C[C@H](NC(=O)Cc1ccc2c(c1)CCO2)c1ccc(N(C)C)cc1 ZINC000773018689 622969088 /nfs/dbraw/zinc/96/90/88/622969088.db2.gz ZOHSWGJDMDPXQM-AWEZNQCLSA-N 0 0 324.424 3.107 20 10 DGCDRN CC(C)c1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)nn1C ZINC000773028032 622970082 /nfs/dbraw/zinc/97/00/82/622970082.db2.gz XOGTZHJFHLJCJY-ZDUSSCGKSA-N 0 0 314.433 3.101 20 10 DGCDRN C[C@@H](NS(=O)(=O)CCC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000773089138 622981824 /nfs/dbraw/zinc/98/18/24/622981824.db2.gz SBSWLIHXIUVIHT-CYBMUJFWSA-N 0 0 312.479 3.169 20 10 DGCDRN C[C@H](NC(=O)NCc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000773117351 622986302 /nfs/dbraw/zinc/98/63/02/622986302.db2.gz PXXULCACQIVCHC-ZDUSSCGKSA-N 0 0 315.392 3.452 20 10 DGCDRN Cc1csc(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000773136926 622989608 /nfs/dbraw/zinc/98/96/08/622989608.db2.gz CBWHQQBTLSGFFI-LBPRGKRZSA-N 0 0 318.446 3.078 20 10 DGCDRN C[C@@H](NC(=O)N[C@@H](C)c1ccccn1)c1ccc(N(C)C)cc1 ZINC000773152509 622992308 /nfs/dbraw/zinc/99/23/08/622992308.db2.gz XSJARLLJVUICCP-KGLIPLIRSA-N 0 0 312.417 3.269 20 10 DGCDRN Cc1nc2ccccc2n1CCC(=O)N(C)Cc1ccccc1O ZINC000773341096 623015620 /nfs/dbraw/zinc/01/56/20/623015620.db2.gz PTDRHPNPIBPIGB-UHFFFAOYSA-N 0 0 323.396 3.099 20 10 DGCDRN C[C@H](NC(=O)NCc1cccc(O)c1)c1ccc(N(C)C)cc1 ZINC000773364643 623017419 /nfs/dbraw/zinc/01/74/19/623017419.db2.gz RSOYTCWIOBKGEJ-ZDUSSCGKSA-N 0 0 313.401 3.019 20 10 DGCDRN C[C@H](NC(=O)NC[C@]1(C)CCCS1)c1ccc(N(C)C)cc1 ZINC000773388002 623020959 /nfs/dbraw/zinc/02/09/59/623020959.db2.gz BMOLORYSAZQODN-GUYCJALGSA-N 0 0 321.490 3.399 20 10 DGCDRN CC[C@@H](CSC)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773440874 623027851 /nfs/dbraw/zinc/02/78/51/623027851.db2.gz GZXGVGKTNFNZGJ-OCCSQVGLSA-N 0 0 309.479 3.254 20 10 DGCDRN C[C@H](NC(=O)N1CCCC2(CC2)C1)c1ccc(N(C)C)cc1 ZINC000773616640 623051565 /nfs/dbraw/zinc/05/15/65/623051565.db2.gz LBABDANZMQYJTK-AWEZNQCLSA-N 0 0 301.434 3.399 20 10 DGCDRN C[C@H](NC(=O)N1CC[C@H](C)[C@H](F)C1)c1ccc(N(C)C)cc1 ZINC000773616378 623051939 /nfs/dbraw/zinc/05/19/39/623051939.db2.gz JUYDCYOSXOEWSS-HEHGZKQESA-N 0 0 307.413 3.203 20 10 DGCDRN CC(C)OC1(CNC(=O)N[C@H](C)c2ccccc2O)CCC1 ZINC000873183115 623064788 /nfs/dbraw/zinc/06/47/88/623064788.db2.gz TXYPPXRATXMDFP-CYBMUJFWSA-N 0 0 306.406 3.100 20 10 DGCDRN CC(C)OC1(CNC(=O)N[C@@H](C)c2ccccc2O)CCC1 ZINC000873183116 623064922 /nfs/dbraw/zinc/06/49/22/623064922.db2.gz TXYPPXRATXMDFP-ZDUSSCGKSA-N 0 0 306.406 3.100 20 10 DGCDRN Cc1cc(N)cc(NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000873218009 623078041 /nfs/dbraw/zinc/07/80/41/623078041.db2.gz XAUGJTHHMVZKNK-UHFFFAOYSA-N 0 0 315.392 3.165 20 10 DGCDRN CCCc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1 ZINC000774138664 623111469 /nfs/dbraw/zinc/11/14/69/623111469.db2.gz LRBUXBYBGCIDIH-GHRIWEEISA-N 0 0 306.365 3.101 20 10 DGCDRN CCn1cc(NC(=S)N[C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000774259617 623125803 /nfs/dbraw/zinc/12/58/03/623125803.db2.gz WSSDVJMRWZFYAC-LBPRGKRZSA-N 0 0 317.462 3.017 20 10 DGCDRN C[C@@H]([NH2+]CCN1CCCC(C)(C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000774486977 623151717 /nfs/dbraw/zinc/15/17/17/623151717.db2.gz KCAUTQINCGCTJC-CYBMUJFWSA-N 0 0 321.421 3.073 20 10 DGCDRN CCOC(=O)c1nnc2ccccc2c1NCc1ccccc1O ZINC000774525337 623156715 /nfs/dbraw/zinc/15/67/15/623156715.db2.gz YYUXJUOUIVFNIM-UHFFFAOYSA-N 0 0 323.352 3.124 20 10 DGCDRN CC(=O)[C@@H](C)OC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000774544214 623159118 /nfs/dbraw/zinc/15/91/18/623159118.db2.gz ZSCALKNNURXXTG-CYBMUJFWSA-N 0 0 303.333 3.368 20 10 DGCDRN O=C(Nc1ccc(Nc2ncccn2)cc1)C1=CC(=O)CS1 ZINC000774572057 623161463 /nfs/dbraw/zinc/16/14/63/623161463.db2.gz IZIWBPMYQHALLD-UHFFFAOYSA-N 0 0 312.354 3.240 20 10 DGCDRN CCCn1ncnc1CN(Cc1ccccc1O)C1CCCC1 ZINC000790289487 625629173 /nfs/dbraw/zinc/62/91/73/625629173.db2.gz YRKNMFIXVKYKDQ-UHFFFAOYSA-N 0 0 314.433 3.339 20 10 DGCDRN COc1c([O-])c(C[N@H+](C)C2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000774821885 623196518 /nfs/dbraw/zinc/19/65/18/623196518.db2.gz UUTZSHVGYDGKCK-UHFFFAOYSA-N 0 0 308.378 3.320 20 10 DGCDRN COc1c([O-])c(C[NH2+]Cc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000774963630 623212047 /nfs/dbraw/zinc/21/20/47/623212047.db2.gz FBSTWLFBAVRYQT-UHFFFAOYSA-N 0 0 322.748 3.252 20 10 DGCDRN COc1c([O-])c(C[NH2+]C[C@@H]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000774972871 623212918 /nfs/dbraw/zinc/21/29/18/623212918.db2.gz DKJZKVSJNQYGLJ-VXGBXAGGSA-N 0 0 308.378 3.225 20 10 DGCDRN COc1c([O-])c(C[NH2+]Cc2c(C)cccc2F)ccc1[N+](=O)[O-] ZINC000775031209 623218569 /nfs/dbraw/zinc/21/85/69/623218569.db2.gz ZMOHIPIHWXXPON-UHFFFAOYSA-N 0 0 320.320 3.046 20 10 DGCDRN Cc1cc(NCc2ccc(N(C)C)c(F)c2)cc(OCCO)c1 ZINC000775032551 623218946 /nfs/dbraw/zinc/21/89/46/623218946.db2.gz IWLJMTRBPSZBLR-UHFFFAOYSA-N 0 0 318.392 3.183 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000775056111 623221996 /nfs/dbraw/zinc/22/19/96/623221996.db2.gz VTWMANYEGBFTAV-IACUBPJLSA-N 0 0 320.389 3.320 20 10 DGCDRN C[C@H](C1CC1)N(C(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC000873988822 623228290 /nfs/dbraw/zinc/22/82/90/623228290.db2.gz SBNXRXAJELBXMJ-SNVBAGLBSA-N 0 0 300.362 3.252 20 10 DGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc(Cl)no1 ZINC000874108109 623241019 /nfs/dbraw/zinc/24/10/19/623241019.db2.gz OKIGOCWDIQFQFM-UHFFFAOYSA-N 0 0 321.808 3.445 20 10 DGCDRN CC(C)=C(C)CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000874197210 623248553 /nfs/dbraw/zinc/24/85/53/623248553.db2.gz LPUHBZSYNAUBGB-INIZCTEOSA-N 0 0 316.445 3.447 20 10 DGCDRN C[C@@H](NC(=O)c1ccc2c(c1)ncn2C)c1ccc(N(C)C)cc1 ZINC000775409940 623271312 /nfs/dbraw/zinc/27/13/12/623271312.db2.gz IURIWZDACHYKLG-CYBMUJFWSA-N 0 0 322.412 3.130 20 10 DGCDRN CCc1nnc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000775435123 623274915 /nfs/dbraw/zinc/27/49/15/623274915.db2.gz SLMGIQDBRQTCOJ-SNVBAGLBSA-N 0 0 319.434 3.049 20 10 DGCDRN CC[C@H]([NH2+]C[C@@](C)(O)COC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775503124 623281843 /nfs/dbraw/zinc/28/18/43/623281843.db2.gz BQGBGCUFKLIMNX-SMDDNHRTSA-N 0 0 322.232 3.137 20 10 DGCDRN CC[C@@H]([NH2+]C[C@H](COC)OC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775546676 623287438 /nfs/dbraw/zinc/28/74/38/623287438.db2.gz KUKFSDHPPNSIOX-BXKDBHETSA-N 0 0 322.232 3.401 20 10 DGCDRN Cc1cc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)nnc1C ZINC000775621997 623297385 /nfs/dbraw/zinc/29/73/85/623297385.db2.gz ZSASAQUSJBKQLT-CYBMUJFWSA-N 0 0 313.405 3.042 20 10 DGCDRN CC[NH+](CC)[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775648095 623303660 /nfs/dbraw/zinc/30/36/60/623303660.db2.gz QPXCCTFCVRRMQJ-CYBMUJFWSA-N 0 0 300.805 3.101 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000775657869 623306520 /nfs/dbraw/zinc/30/65/20/623306520.db2.gz ALUYZZYFQCTEMQ-SNVBAGLBSA-N 0 0 309.772 3.287 20 10 DGCDRN Cn1nccc1[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775660773 623306985 /nfs/dbraw/zinc/30/69/85/623306985.db2.gz YFGBQVVSNWOPMA-LLVKDONJSA-N 0 0 323.799 3.298 20 10 DGCDRN CC[NH+](CC)C[C@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775723346 623319385 /nfs/dbraw/zinc/31/93/85/623319385.db2.gz FQXGJQXNTHDTDU-GFCCVEGCSA-N 0 0 314.832 3.348 20 10 DGCDRN C[C@H](NC(=O)Nc1ccc(F)cn1)c1ccc(N(C)C)cc1 ZINC000775729735 623320450 /nfs/dbraw/zinc/32/04/50/623320450.db2.gz PUNAQLSUQCQMCX-NSHDSACASA-N 0 0 302.353 3.169 20 10 DGCDRN COC(=O)N(C)c1ccc(NCc2cc(OC)ccc2O)cc1 ZINC000775747697 623324002 /nfs/dbraw/zinc/32/40/02/623324002.db2.gz MUBPKICROLOYAD-UHFFFAOYSA-N 0 0 316.357 3.216 20 10 DGCDRN CCc1ccc(N(CC)C(=O)/C=C/c2cnc(OC)nc2)cc1 ZINC000775783074 623331608 /nfs/dbraw/zinc/33/16/08/623331608.db2.gz MZTUKJCDAJLNEU-DHZHZOJOSA-N 0 0 311.385 3.114 20 10 DGCDRN C[C@H](NCc1nnc(C(C)(C)C)o1)c1ccc(N(C)C)cc1 ZINC000775836087 623339371 /nfs/dbraw/zinc/33/93/71/623339371.db2.gz YTZVSVNVADKGOC-LBPRGKRZSA-N 0 0 302.422 3.284 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]2C(C)C)cc1 ZINC000776042388 623369443 /nfs/dbraw/zinc/36/94/43/623369443.db2.gz OXKNWCFSKBSHCM-QGZVFWFLSA-N 0 0 303.450 3.473 20 10 DGCDRN COc1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])cc1O ZINC000776151659 623382782 /nfs/dbraw/zinc/38/27/82/623382782.db2.gz RXCZTZVECPYELX-UHFFFAOYSA-N 0 0 311.740 3.189 20 10 DGCDRN C[C@](CO)([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccccc1 ZINC000776175188 623390486 /nfs/dbraw/zinc/39/04/86/623390486.db2.gz JDTFHZBEBSZPRW-MRXNPFEDSA-N 0 0 309.768 3.182 20 10 DGCDRN O=[N+]([O-])c1ccc(NC(=S)NCc2ccc(Cl)cn2)cc1 ZINC000776193973 623394577 /nfs/dbraw/zinc/39/45/77/623394577.db2.gz XHELZIHMBORAPZ-UHFFFAOYSA-N 0 0 322.777 3.130 20 10 DGCDRN COC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776232433 623400337 /nfs/dbraw/zinc/40/03/37/623400337.db2.gz XNQNYZMUEUNFLA-OAHLLOKOSA-N 0 0 305.805 3.393 20 10 DGCDRN CC[C@@H]1CO[C@H](C)CN1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776250594 623401599 /nfs/dbraw/zinc/40/15/99/623401599.db2.gz WBUNSRXRRUWJPP-IJEWVQPXSA-N 0 0 319.449 3.023 20 10 DGCDRN O=C(OCc1cc(-c2cccs2)on1)c1cccc(O)c1O ZINC000776282494 623406595 /nfs/dbraw/zinc/40/65/95/623406595.db2.gz SEFJJMVUQPOIKF-UHFFFAOYSA-N 0 0 317.322 3.171 20 10 DGCDRN CCN(C(=O)/C=C\c1cnc(OC)nc1)c1ccccc1Cl ZINC000776304317 623408952 /nfs/dbraw/zinc/40/89/52/623408952.db2.gz UBTJGVBRISTESH-HJWRWDBZSA-N 0 0 317.776 3.205 20 10 DGCDRN CC(C)(C)c1ccc(O)c(NC(=O)c2cccc(O)c2O)c1 ZINC000776323701 623412031 /nfs/dbraw/zinc/41/20/31/623412031.db2.gz PXMYFQZLJJXMRA-UHFFFAOYSA-N 0 0 301.342 3.353 20 10 DGCDRN CCS[C@H]1CCCC[C@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000875354190 623440701 /nfs/dbraw/zinc/44/07/01/623440701.db2.gz XRDSMUIUAJYKMO-ZBFHGGJFSA-N 0 0 320.458 3.482 20 10 DGCDRN O=C(NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)N1Cc2cccc(O)c2C1 ZINC000875391216 623445286 /nfs/dbraw/zinc/44/52/86/623445286.db2.gz NWMWQYUGHDJIBQ-GPMSIDNRSA-N 0 0 320.392 3.003 20 10 DGCDRN COCC1(C)CN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000790430606 625651609 /nfs/dbraw/zinc/65/16/09/625651609.db2.gz JTOIJQITYSWCHZ-UHFFFAOYSA-N 0 0 318.442 3.264 20 10 DGCDRN O=C(NCCCc1cccs1)N1Cc2cccc(O)c2C1 ZINC000875443351 623451404 /nfs/dbraw/zinc/45/14/04/623451404.db2.gz FKVQIQFSMKFABI-UHFFFAOYSA-N 0 0 302.399 3.112 20 10 DGCDRN CC1(CNC(=O)N2Cc3cccc(O)c3C2)Cc2ccccc2C1 ZINC000875446243 623451511 /nfs/dbraw/zinc/45/15/11/623451511.db2.gz XOTDBBLOVDYTJK-UHFFFAOYSA-N 0 0 322.408 3.223 20 10 DGCDRN CS[C@H](CNC(=O)N1Cc2cccc(O)c2C1)C(C)(C)C ZINC000875483197 623455063 /nfs/dbraw/zinc/45/50/63/623455063.db2.gz TVRKEVQWRZLKTE-CQSZACIVSA-N 0 0 308.447 3.195 20 10 DGCDRN Cc1ncsc1/C=C/C(=O)NCc1ccc(N(C)C)cc1C ZINC000776841181 623470595 /nfs/dbraw/zinc/47/05/95/623470595.db2.gz IYVCUCNOXUDKTQ-BQYQJAHWSA-N 0 0 315.442 3.156 20 10 DGCDRN CSCC1CCC(NC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000875633566 623473057 /nfs/dbraw/zinc/47/30/57/623473057.db2.gz QNGVGLBUVLBZCO-UHFFFAOYSA-N 0 0 320.458 3.339 20 10 DGCDRN C[C@@]1(CNC(=O)N2Cc3cccc(O)c3C2)CC1(Cl)Cl ZINC000875639854 623474409 /nfs/dbraw/zinc/47/44/09/623474409.db2.gz OTQIYCWXAAOPLQ-ZDUSSCGKSA-N 0 0 315.200 3.001 20 10 DGCDRN CC[C@](C)(CO)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000125527253 623479485 /nfs/dbraw/zinc/47/94/85/623479485.db2.gz VRNPTITWUGQIOB-GOSISDBHSA-N 0 0 318.392 3.124 20 10 DGCDRN Cc1ccc([C@@H]2C[C@H]2NC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000875688528 623479945 /nfs/dbraw/zinc/47/99/45/623479945.db2.gz UGDWILJHEIHLDJ-DOTOQJQBSA-N 0 0 308.381 3.282 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H]1c1ccsc1 ZINC000875869520 623501550 /nfs/dbraw/zinc/50/15/50/623501550.db2.gz HGJYOTVKUNLDAM-UONOGXRCSA-N 0 0 302.399 3.151 20 10 DGCDRN COC1CCC(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000125738241 623538400 /nfs/dbraw/zinc/53/84/00/623538400.db2.gz QTIVGEHWWOBEFY-UHFFFAOYSA-N 0 0 318.461 3.306 20 10 DGCDRN CCOC[C@H](C)NC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000777696005 623557675 /nfs/dbraw/zinc/55/76/75/623557675.db2.gz SEBGPDBAESGGRF-HNNXBMFYSA-N 0 0 321.465 3.099 20 10 DGCDRN Cc1ccc(/C=C/C(=O)NCc2ccc3c(c2)CCCN3C)cn1 ZINC000777852671 623575913 /nfs/dbraw/zinc/57/59/13/623575913.db2.gz FQQRKGMTYFBBGK-CSKARUKUSA-N 0 0 321.424 3.102 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)N[C@@H]2CC23CCC3)C2CC2)cc1 ZINC000876425059 623607222 /nfs/dbraw/zinc/60/72/22/623607222.db2.gz DJBPDPIPQAGIIZ-QGZVFWFLSA-N 0 0 313.445 3.369 20 10 DGCDRN Cc1ccc([N+](=O)[O-])c(NCCCSc2nccs2)n1 ZINC000125953131 623611561 /nfs/dbraw/zinc/61/15/61/623611561.db2.gz GWFFUXLGVGTRHF-UHFFFAOYSA-N 0 0 310.404 3.349 20 10 DGCDRN O=C(Nc1nnc(C2CCCCC2)s1)c1cccc(O)c1O ZINC000790511896 625663171 /nfs/dbraw/zinc/66/31/71/625663171.db2.gz NMNHZTPPZVDEEK-UHFFFAOYSA-N 0 0 319.386 3.249 20 10 DGCDRN Cc1ccncc1/C=C\C(=O)N1CCN(C2CC2)c2ccccc21 ZINC000778258435 623633047 /nfs/dbraw/zinc/63/30/47/623633047.db2.gz JFDWGZBOSDJZKJ-TWGQIWQCSA-N 0 0 319.408 3.419 20 10 DGCDRN C[C@@H](CCc1ccc(F)cc1)C(=O)NCCc1ccc(N)cc1 ZINC000876528767 623634509 /nfs/dbraw/zinc/63/45/09/623634509.db2.gz YQYVVPMRDJTXLF-AWEZNQCLSA-N 0 0 314.404 3.336 20 10 DGCDRN Cc1cc(C(=O)N2CC[C@@H](C)[C@H](F)C2)c(C)n1-c1ccccn1 ZINC000778466871 623659041 /nfs/dbraw/zinc/65/90/41/623659041.db2.gz IJALCKKRCBSBFE-MLGOLLRUSA-N 0 0 315.392 3.309 20 10 DGCDRN C[C@@H](Cc1ccccc1Cl)NC(=O)c1cccc(O)c1O ZINC000790544500 625667690 /nfs/dbraw/zinc/66/76/90/625667690.db2.gz XLZNDMWPZAAJCX-JTQLQIEISA-N 0 0 305.761 3.112 20 10 DGCDRN O=C(NCCc1csc2ccccc12)c1cccc(O)c1O ZINC000790543518 625668015 /nfs/dbraw/zinc/66/80/15/625668015.db2.gz VLWUTVVQOUWLRK-UHFFFAOYSA-N 0 0 313.378 3.285 20 10 DGCDRN [O-]c1c(C[NH+]2CCC(C3CCOCC3)CC2)ccc(F)c1F ZINC000876773276 623702493 /nfs/dbraw/zinc/70/24/93/623702493.db2.gz YEBHSAPVZOQFND-UHFFFAOYSA-N 0 0 311.372 3.309 20 10 DGCDRN Oc1ccc(F)cc1CN(Cc1cc[nH]n1)Cc1ccccc1 ZINC000779011046 623720462 /nfs/dbraw/zinc/72/04/62/623720462.db2.gz YUGYIONWUGIBOY-UHFFFAOYSA-N 0 0 311.360 3.457 20 10 DGCDRN Cc1cc(Br)cc([C@H](C)NCc2cocn2)c1O ZINC000779039196 623723820 /nfs/dbraw/zinc/72/38/20/623723820.db2.gz AQZUJGYDBIVVJP-VIFPVBQESA-N 0 0 311.179 3.302 20 10 DGCDRN C[C@@H](NC(=O)c1ccc2c(c1)CCN2C)c1ccc(N(C)C)cc1 ZINC000779102408 623730263 /nfs/dbraw/zinc/73/02/63/623730263.db2.gz XTMNBBCYJKMOCR-CQSZACIVSA-N 0 0 323.440 3.236 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccc2c(c1)OCCO2 ZINC000876907609 623742058 /nfs/dbraw/zinc/74/20/58/623742058.db2.gz GZDPKLFHRHOROB-SNVBAGLBSA-N 0 0 321.323 3.292 20 10 DGCDRN CCN1C(=O)/C(=C/c2ccc3cnccc3c2)SC1=S ZINC000779220847 623743834 /nfs/dbraw/zinc/74/38/34/623743834.db2.gz JHBGOLPTXLFCGA-JYRVWZFOSA-N 0 0 300.408 3.456 20 10 DGCDRN CCN(CC)c1ccc(C[NH2+]Cc2ccc(F)c(F)c2[O-])cn1 ZINC000876930890 623747167 /nfs/dbraw/zinc/74/71/67/623747167.db2.gz GBZNZYJPLLPSEB-UHFFFAOYSA-N 0 0 321.371 3.201 20 10 DGCDRN CCCOc1ncccc1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000876986795 623759877 /nfs/dbraw/zinc/75/98/77/623759877.db2.gz LBDBBQIXKBDOBP-UHFFFAOYSA-N 0 0 308.328 3.144 20 10 DGCDRN Cc1cc(C(=O)N2CCc3ccncc32)c(C)n1-c1ccccn1 ZINC000779446486 623771251 /nfs/dbraw/zinc/77/12/51/623771251.db2.gz KLJKLGJKVAFPOO-UHFFFAOYSA-N 0 0 318.380 3.087 20 10 DGCDRN [O-]c1c(C[NH2+]C2(c3ccccc3)CCOCC2)ccc(F)c1F ZINC000877041876 623773780 /nfs/dbraw/zinc/77/37/80/623773780.db2.gz JWCCVGGWCJJUMF-UHFFFAOYSA-N 0 0 319.351 3.466 20 10 DGCDRN Cc1cc(N(C)C)ccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779480570 623774447 /nfs/dbraw/zinc/77/44/47/623774447.db2.gz XPROEFAJMWPUNO-WEVVVXLNSA-N 0 0 312.369 3.124 20 10 DGCDRN C[C@@H]1C[C@@H]1c1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)o1 ZINC000779500347 623775103 /nfs/dbraw/zinc/77/51/03/623775103.db2.gz PAFGNXBVDBALKZ-RIEIZIRISA-N 0 0 313.353 3.144 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(N2CCCC2)cc1 ZINC000779494767 623775107 /nfs/dbraw/zinc/77/51/07/623775107.db2.gz ZKFMQYPWXSXECC-ONNFQVAWSA-N 0 0 324.380 3.350 20 10 DGCDRN CCN(C(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1OC ZINC000779505858 623775968 /nfs/dbraw/zinc/77/59/68/623775968.db2.gz KPDCVQWPNOXRKR-PKNBQFBNSA-N 0 0 313.353 3.173 20 10 DGCDRN CCOc1ccc(N(C)C(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000779519341 623776537 /nfs/dbraw/zinc/77/65/37/623776537.db2.gz KRAPUORRJRCWGR-VZUCSPMQSA-N 0 0 313.353 3.173 20 10 DGCDRN O=C(C=Cc1ccc(O)c(O)c1)Nc1cc(C2CCCC2)[nH]n1 ZINC000779519086 623776853 /nfs/dbraw/zinc/77/68/53/623776853.db2.gz NPZULTXZQQUNAW-SOFGYWHQSA-N 0 0 313.357 3.130 20 10 DGCDRN Cn1ccc2c1cccc2NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779513404 623776895 /nfs/dbraw/zinc/77/68/95/623776895.db2.gz GYHUFPPUYYEOGE-VURMDHGXSA-N 0 0 308.337 3.241 20 10 DGCDRN CCCCn1ncc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1C ZINC000779538370 623778361 /nfs/dbraw/zinc/77/83/61/623778361.db2.gz YUERKJRFYCOTQP-SOFGYWHQSA-N 0 0 315.373 3.055 20 10 DGCDRN [O-]c1c(C[NH2+]Cc2nc(C(F)(F)F)cs2)ccc(F)c1F ZINC000877057505 623778610 /nfs/dbraw/zinc/77/86/10/623778610.db2.gz GNHAMOUCXSOIQM-UHFFFAOYSA-N 0 0 324.274 3.436 20 10 DGCDRN O=C(NCCCSc1nccs1)NOC1CCCCC1 ZINC000779630398 623783312 /nfs/dbraw/zinc/78/33/12/623783312.db2.gz JTZKUVRHTLSUBF-UHFFFAOYSA-N 0 0 315.464 3.189 20 10 DGCDRN O=C(/C=C/c1cncc(O)c1)N1CCCSc2ccccc21 ZINC000779653692 623784708 /nfs/dbraw/zinc/78/47/08/623784708.db2.gz UIOJDSYJWPXQQV-VOTSOKGWSA-N 0 0 312.394 3.329 20 10 DGCDRN CO[C@H](C)c1nc(C)c(C(=O)N(C)c2ccc(N)cc2)s1 ZINC000877077398 623785783 /nfs/dbraw/zinc/78/57/83/623785783.db2.gz GLFOQRZJSGXUBZ-SNVBAGLBSA-N 0 0 305.403 3.018 20 10 DGCDRN CN(C)[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])c1cccs1 ZINC000877142312 623804788 /nfs/dbraw/zinc/80/47/88/623804788.db2.gz NMXSSKSCCSIYCN-GFCCVEGCSA-N 0 0 312.385 3.124 20 10 DGCDRN Cc1ccc(NCc2c(C)cccc2O)cc1S(C)(=O)=O ZINC000877172359 623817404 /nfs/dbraw/zinc/81/74/04/623817404.db2.gz PJDQEFPJZLESFH-UHFFFAOYSA-N 0 0 305.399 3.025 20 10 DGCDRN CC/C(C)=C(\C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000779853448 623820963 /nfs/dbraw/zinc/82/09/63/623820963.db2.gz FQRGTPPQDVNQOH-FOCLMDBBSA-N 0 0 316.445 3.480 20 10 DGCDRN CCOc1ccccc1[C@H](CC)NC(=O)c1cccc(O)c1O ZINC000790621367 625678629 /nfs/dbraw/zinc/67/86/29/625678629.db2.gz ODELKQSHWSJGNC-AWEZNQCLSA-N 0 0 315.369 3.378 20 10 DGCDRN CC(C)[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000780183099 623873417 /nfs/dbraw/zinc/87/34/17/623873417.db2.gz CIXMVQHKLHDJON-INIZCTEOSA-N 0 0 303.450 3.330 20 10 DGCDRN [O-]c1c(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)ccc(F)c1F ZINC000877529242 623925886 /nfs/dbraw/zinc/92/58/86/623925886.db2.gz WUIFDTGNPOIJSI-STQMWFEESA-N 0 0 311.372 3.309 20 10 DGCDRN [O-]c1c(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)ccc(F)c1F ZINC000877541524 623934297 /nfs/dbraw/zinc/93/42/97/623934297.db2.gz PKAGPYXRTBZAFF-XJKSGUPXSA-N 0 0 309.356 3.204 20 10 DGCDRN CO[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])Cc1ccccc1 ZINC000877559190 623941083 /nfs/dbraw/zinc/94/10/83/623941083.db2.gz SXLDBPHIVNHWLY-AWEZNQCLSA-N 0 0 307.340 3.018 20 10 DGCDRN CO[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])Cc1ccccc1 ZINC000877559191 623941585 /nfs/dbraw/zinc/94/15/85/623941585.db2.gz SXLDBPHIVNHWLY-CQSZACIVSA-N 0 0 307.340 3.018 20 10 DGCDRN [O-]c1c(C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)ccc(F)c1F ZINC000877568822 623946096 /nfs/dbraw/zinc/94/60/96/623946096.db2.gz BRDVNZQCTAFWMH-ZFWWWQNUSA-N 0 0 320.339 3.075 20 10 DGCDRN CC(C)C[N@H+](Cc1cnn(C)c1)Cc1ccc(F)c(F)c1[O-] ZINC000877579016 623950372 /nfs/dbraw/zinc/95/03/72/623950372.db2.gz LMZVOQVFCHCGDZ-UHFFFAOYSA-N 0 0 309.360 3.062 20 10 DGCDRN C[C@@H](NCc1cc(-c2ccccc2)ccc1O)c1ncn(C)n1 ZINC000780562660 623952459 /nfs/dbraw/zinc/95/24/59/623952459.db2.gz HUMODIUIBSHCHA-CYBMUJFWSA-N 0 0 308.385 3.039 20 10 DGCDRN C[N@H+](Cc1ccc(F)c(F)c1[O-])C[C@](C)(O)c1ccccc1 ZINC000877599316 623958272 /nfs/dbraw/zinc/95/82/72/623958272.db2.gz VQKQDQDPYSDSLR-KRWDZBQOSA-N 0 0 307.340 3.010 20 10 DGCDRN [O-]c1c(C[NH+]2CCC([C@@H]3CCCCO3)CC2)ccc(F)c1F ZINC000877633232 623970746 /nfs/dbraw/zinc/97/07/46/623970746.db2.gz DKFDNEWXXHDWAK-HNNXBMFYSA-N 0 0 311.372 3.452 20 10 DGCDRN COc1ccc([C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])C2CC2)cn1 ZINC000877661831 623982051 /nfs/dbraw/zinc/98/20/51/623982051.db2.gz IIMXEARQBKIWKV-MRXNPFEDSA-N 0 0 320.339 3.315 20 10 DGCDRN COc1cc(CN(C)c2ccc3c(c2)OCO3)cc(OC)c1 ZINC000780778042 623982103 /nfs/dbraw/zinc/98/21/03/623982103.db2.gz ACCCJGSBURINOX-UHFFFAOYSA-N 0 0 301.342 3.069 20 10 DGCDRN CN(Cc1cnc2ccc(Cl)cn12)c1ccc2c(c1)OCO2 ZINC000780778889 623982180 /nfs/dbraw/zinc/98/21/80/623982180.db2.gz WRUZAJBGWIVGDB-UHFFFAOYSA-N 0 0 315.760 3.353 20 10 DGCDRN COc1cc(CN(C)c2ccc(OC)c(F)c2)cc(OC)c1 ZINC000780779595 623983409 /nfs/dbraw/zinc/98/34/09/623983409.db2.gz OJDADFGEXLDUDH-UHFFFAOYSA-N 0 0 305.349 3.488 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[C@H](C)C1 ZINC000780801599 623986525 /nfs/dbraw/zinc/98/65/25/623986525.db2.gz YJJTYXCUCRRIOR-GOEBONIOSA-N 0 0 303.450 3.473 20 10 DGCDRN Cc1ccc(C(=O)NCCCSc2ccccc2)c(O)c1O ZINC000780856486 623990565 /nfs/dbraw/zinc/99/05/65/623990565.db2.gz XUUXGVFFLCMCMU-UHFFFAOYSA-N 0 0 317.410 3.318 20 10 DGCDRN Cc1ccc(C(=O)Nc2cc3c(cc2Cl)OCO3)c(O)c1O ZINC000780863239 623991704 /nfs/dbraw/zinc/99/17/04/623991704.db2.gz RFQVWLSDIHOQCB-UHFFFAOYSA-N 0 0 321.716 3.041 20 10 DGCDRN COc1cc(Br)cc(CN2CCC=C(F)C2)c1O ZINC000780894727 623995111 /nfs/dbraw/zinc/99/51/11/623995111.db2.gz KNSKJNLYSQEFND-UHFFFAOYSA-N 0 0 316.170 3.222 20 10 DGCDRN Cc1cn(-c2ccccc2)nc1NC(=O)c1ccc(C)c(O)c1O ZINC000780933452 623999894 /nfs/dbraw/zinc/99/98/94/623999894.db2.gz MXURPRUWWQFVHA-UHFFFAOYSA-N 0 0 323.352 3.153 20 10 DGCDRN Cc1ccc(C(=O)NC2(Cc3ccccc3)CCC2)c(O)c1O ZINC000780970602 624005755 /nfs/dbraw/zinc/00/57/55/624005755.db2.gz YYQSUGSWGXPEMM-UHFFFAOYSA-N 0 0 311.381 3.301 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000877729957 624006657 /nfs/dbraw/zinc/00/66/57/624006657.db2.gz HJYWMASBWACHCF-AAEUAGOBSA-N 0 0 313.800 3.337 20 10 DGCDRN CC[C@@H](C)n1nc(NC(=O)c2ccc(C)c(O)c2O)cc1C ZINC000781018085 624010761 /nfs/dbraw/zinc/01/07/61/624010761.db2.gz QJZVAGGSTNVNSG-SNVBAGLBSA-N 0 0 303.362 3.134 20 10 DGCDRN COc1cc(Cl)cc(C[NH2+]CC2(OC(C)C)CCC2)c1O ZINC000877806981 624040346 /nfs/dbraw/zinc/04/03/46/624040346.db2.gz MQEGSPXUGLSFLJ-UHFFFAOYSA-N 0 0 313.825 3.492 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@]2(C)CCCOC2)cc1F ZINC000781335843 624056872 /nfs/dbraw/zinc/05/68/72/624056872.db2.gz JWISSEDDCRPQAM-SFHVURJKSA-N 0 0 322.424 3.105 20 10 DGCDRN CC(C)(O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000877835387 624063810 /nfs/dbraw/zinc/06/38/10/624063810.db2.gz QPXFMWAXNIXAHH-SNVBAGLBSA-N 0 0 304.217 3.292 20 10 DGCDRN Cc1cccc2c1N[C@@H](c1cc(Cl)c(F)cc1O)NC2=O ZINC000877846016 624067201 /nfs/dbraw/zinc/06/72/01/624067201.db2.gz OIOYXVYYTUTQTC-CQSZACIVSA-N 0 0 306.724 3.347 20 10 DGCDRN Cc1cccc2c1C(=O)N[C@@H](c1cc(F)c(N(C)C)cc1F)N2 ZINC000877847825 624068135 /nfs/dbraw/zinc/06/81/35/624068135.db2.gz FGZUXFBTNKMAJC-INIZCTEOSA-N 0 0 317.339 3.193 20 10 DGCDRN CN(C)c1cc(F)c([C@@H]2Nc3cc(F)ccc3C(=O)N2)cc1F ZINC000877847530 624068188 /nfs/dbraw/zinc/06/81/88/624068188.db2.gz BDVNSUHCFWCENL-OAHLLOKOSA-N 0 0 321.302 3.024 20 10 DGCDRN COc1ccc(N2CCN(C/C(Cl)=C/Cl)CC2)cc1F ZINC000129592638 625697733 /nfs/dbraw/zinc/69/77/33/625697733.db2.gz HHBVVSZVZPQJEA-LUAWRHEFSA-N 0 0 319.207 3.275 20 10 DGCDRN CC(C)(C)CN1C(=O)C(C)(C)N[C@@H]1c1cc(Cl)ccc1O ZINC000877857403 624071451 /nfs/dbraw/zinc/07/14/51/624071451.db2.gz QPMDQKHZWILKJN-ZDUSSCGKSA-N 0 0 310.825 3.301 20 10 DGCDRN CCn1ccc(CN(C)c2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000790781118 625697000 /nfs/dbraw/zinc/69/70/00/625697000.db2.gz XCLHNDZEXNROOH-UHFFFAOYSA-N 0 0 319.361 3.070 20 10 DGCDRN CC(=O)CN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 ZINC000878088384 624162780 /nfs/dbraw/zinc/16/27/80/624162780.db2.gz NPDVVDWZLUOFLE-UHFFFAOYSA-N 0 0 318.417 3.053 20 10 DGCDRN Cc1cc(Br)c([O-])c(C[N@@H+](C)[C@H]2CCSC2)c1 ZINC000781897221 624166781 /nfs/dbraw/zinc/16/67/81/624166781.db2.gz PXSYHRAXGCVRRM-NSHDSACASA-N 0 0 316.264 3.400 20 10 DGCDRN Cc1cc(C(=O)NC(C)(C)[C@@H](C)O)c(C)n1-c1ccccc1C ZINC000782026798 624190379 /nfs/dbraw/zinc/19/03/79/624190379.db2.gz NCLRPNCJJBERGA-OAHLLOKOSA-N 0 0 314.429 3.292 20 10 DGCDRN Cc1ccc2c(CCNC(=O)C3=CC(=O)CS3)cn(C)c2c1 ZINC000782073049 624199217 /nfs/dbraw/zinc/19/92/17/624199217.db2.gz OXUYZYCBXDXCDZ-UHFFFAOYSA-N 0 0 314.410 3.226 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1scnc1Cl ZINC000878319128 624244850 /nfs/dbraw/zinc/24/48/50/624244850.db2.gz KOFVDUNLEJVSKR-UHFFFAOYSA-N 0 0 309.822 3.262 20 10 DGCDRN COc1ccc(O)c([C@@H](C)N[C@@H](C(=O)OC(C)(C)C)C2CC2)c1 ZINC000878360766 624256051 /nfs/dbraw/zinc/25/60/51/624256051.db2.gz RJPPGARLVXSVKC-BDJLRTHQSA-N 0 0 321.417 3.172 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC(C)(C)O2)cc1 ZINC000782670546 624273185 /nfs/dbraw/zinc/27/31/85/624273185.db2.gz GNWDYKXTRPKUKA-INIZCTEOSA-N 0 0 304.434 3.107 20 10 DGCDRN C[C@@H](NC(=O)Nc1nnc(C(F)F)s1)c1ccccc1O ZINC000878451145 624281392 /nfs/dbraw/zinc/28/13/92/624281392.db2.gz HWOHCDOYPVXEHB-ZCFIWIBFSA-N 0 0 314.317 3.064 20 10 DGCDRN Cc1ncc([N+](=O)[O-])n1CCN(C)c1ccc(OC(C)C)cc1 ZINC000878511637 624294091 /nfs/dbraw/zinc/29/40/91/624294091.db2.gz FPYUGWROKFNKGQ-UHFFFAOYSA-N 0 0 318.377 3.023 20 10 DGCDRN CC(C)[C@H](CC(F)(F)F)NC(=O)NCc1ccccc1O ZINC000782954447 624294732 /nfs/dbraw/zinc/29/47/32/624294732.db2.gz URIBTNHJXVDBJX-NSHDSACASA-N 0 0 304.312 3.168 20 10 DGCDRN CSCC[C@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000127239666 624320144 /nfs/dbraw/zinc/32/01/44/624320144.db2.gz CDGKFELYTAUXNU-AWEZNQCLSA-N 0 0 319.474 3.004 20 10 DGCDRN COc1ccc(O)c(CNC(=O)CCCc2ccsc2)c1 ZINC000783587176 624370815 /nfs/dbraw/zinc/37/08/15/624370815.db2.gz BVKZZXZNHYLBJI-UHFFFAOYSA-N 0 0 305.399 3.101 20 10 DGCDRN Cc1ccc(C(=O)NCc2ccc(O)c(O)c2)c(Cl)c1C ZINC000783587694 624371857 /nfs/dbraw/zinc/37/18/57/624371857.db2.gz FLRCWYFHKUIRQY-UHFFFAOYSA-N 0 0 305.761 3.298 20 10 DGCDRN Cc1cc(C(=O)N[C@@H](C)C[C@@H](C)O)c(C)n1-c1cccc(C)c1 ZINC000783628482 624376708 /nfs/dbraw/zinc/37/67/08/624376708.db2.gz KQGSCEWDMOLVCE-DZGCQCFKSA-N 0 0 314.429 3.292 20 10 DGCDRN O=C(c1cccc(O)c1O)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000790922623 625716287 /nfs/dbraw/zinc/71/62/87/625716287.db2.gz RTEXWOOQTXOZMS-QYMJWVLRSA-N 0 0 309.365 3.416 20 10 DGCDRN Cc1cc(/C=C2/SC(=S)N(C)C2=O)cc2cccnc12 ZINC000783699305 624384703 /nfs/dbraw/zinc/38/47/03/624384703.db2.gz VMFJIUFBQHZXLA-XYOKQWHBSA-N 0 0 300.408 3.374 20 10 DGCDRN CCCC[C@@H](CC)CC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783713246 624386147 /nfs/dbraw/zinc/38/61/47/624386147.db2.gz ZUEGULRQPIJGQY-GFCCVEGCSA-N 0 0 308.374 3.430 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)cc1F ZINC000783727816 624388286 /nfs/dbraw/zinc/38/82/86/624388286.db2.gz FOKGCJVENIDUKS-QGZVFWFLSA-N 0 0 308.441 3.265 20 10 DGCDRN Cc1ccncc1/C=C\C(=O)N1CCOc2c(Cl)cccc21 ZINC000784073194 624432731 /nfs/dbraw/zinc/43/27/31/624432731.db2.gz JQLFOPWAEAOACV-WAYWQWQTSA-N 0 0 314.772 3.482 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ccc(S(C)(=O)=O)cc1 ZINC000784156081 624446478 /nfs/dbraw/zinc/44/64/78/624446478.db2.gz ZSPGGUUNCOWACM-UHFFFAOYSA-N 0 0 318.442 3.077 20 10 DGCDRN Cc1ccn(C)c1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000784356363 624509284 /nfs/dbraw/zinc/50/92/84/624509284.db2.gz NMONOSKCMBOUKT-UHFFFAOYSA-N 0 0 313.445 3.450 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2c(C)ccn2C)cc1F ZINC000784398034 624520072 /nfs/dbraw/zinc/52/00/72/624520072.db2.gz AKCGZZYPVVUXFE-UHFFFAOYSA-N 0 0 317.408 3.249 20 10 DGCDRN CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)C1=CC(=O)CS1 ZINC000784814019 624583480 /nfs/dbraw/zinc/58/34/80/624583480.db2.gz VTXLHJGSWCSUHD-QGZVFWFLSA-N 0 0 319.426 3.257 20 10 DGCDRN COc1ccc(N(C)C[C@H](C)NC(=O)OC(C)(C)C)c(OC)c1 ZINC000785482305 624675263 /nfs/dbraw/zinc/67/52/63/624675263.db2.gz WMTQAVVZMQNJJS-LBPRGKRZSA-N 0 0 324.421 3.053 20 10 DGCDRN Cc1c(NCc2ccc(N(C)C)cc2)cccc1N1CCNC1=O ZINC000785554772 624687142 /nfs/dbraw/zinc/68/71/42/624687142.db2.gz FZMYJSGHIXUODT-UHFFFAOYSA-N 0 0 324.428 3.203 20 10 DGCDRN C[C@@H]1CN(Cc2ccc(N(C)C)cc2)c2ccccc2N(C)C1=O ZINC000785756209 624725333 /nfs/dbraw/zinc/72/53/33/624725333.db2.gz LMSCCEMOKWKWFN-OAHLLOKOSA-N 0 0 323.440 3.372 20 10 DGCDRN Cc1cc(NC(=O)NCc2ccc(N(C)C)cc2)cnc1Cl ZINC000128255450 624824299 /nfs/dbraw/zinc/82/42/99/624824299.db2.gz CPMCDHAYZLYVBV-UHFFFAOYSA-N 0 0 318.808 3.431 20 10 DGCDRN Cc1cc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)nc(C)n1 ZINC000880303456 624904359 /nfs/dbraw/zinc/90/43/59/624904359.db2.gz ODNFEAYBKPJLOS-GFCCVEGCSA-N 0 0 313.405 3.042 20 10 DGCDRN COc1cccc(-c2noc(N(C)Cc3ccccc3O)n2)c1 ZINC000786793037 624954493 /nfs/dbraw/zinc/95/44/93/624954493.db2.gz JHELYVPZDWMRDF-UHFFFAOYSA-N 0 0 311.341 3.087 20 10 DGCDRN CC(C)CN(CC(C)C)C(=O)COc1ccc(N(C)C)cc1 ZINC000786865564 624959275 /nfs/dbraw/zinc/95/92/75/624959275.db2.gz PMCROAQSZLNCKC-UHFFFAOYSA-N 0 0 306.450 3.272 20 10 DGCDRN C[C@H](NC(=O)Nc1ccnn1CC1CCC1)c1ccccc1O ZINC000880654471 624994068 /nfs/dbraw/zinc/99/40/68/624994068.db2.gz IYYXMSYHGXJLGM-LBPRGKRZSA-N 0 0 314.389 3.272 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2cscc2C)c1 ZINC000787340580 625002344 /nfs/dbraw/zinc/00/23/44/625002344.db2.gz HLWRJPBSEOBGSH-LLVKDONJSA-N 0 0 320.414 3.331 20 10 DGCDRN COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@H]1C ZINC000787420683 625008718 /nfs/dbraw/zinc/00/87/18/625008718.db2.gz KNMLHKLBSPVIPU-KWQFWETISA-N 0 0 318.200 3.082 20 10 DGCDRN CCOC(=O)[C@@H](CC)N(Cc1cc(Cl)ccc1O)C1CC1 ZINC000787438562 625010920 /nfs/dbraw/zinc/01/09/20/625010920.db2.gz BWXBRKRXIRMOIP-CQSZACIVSA-N 0 0 311.809 3.352 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)OCc2ccnc(N)c2)cc1 ZINC000787584927 625021861 /nfs/dbraw/zinc/02/18/61/625021861.db2.gz MCCSURQSDADWCR-UHFFFAOYSA-N 0 0 321.380 3.428 20 10 DGCDRN C[C@H](CC[S@](C)=O)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788669816 625238012 /nfs/dbraw/zinc/23/80/12/625238012.db2.gz PNFWOCYEXBHTPZ-ULQSSITMSA-N 0 0 323.380 3.219 20 10 DGCDRN COCCOC[C@@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788666748 625238138 /nfs/dbraw/zinc/23/81/38/625238138.db2.gz SKVZDPZAYFFOOF-GHMZBOCLSA-N 0 0 321.339 3.113 20 10 DGCDRN CCOC1CC(CC(=O)N(CC)Cc2ccc(N(C)C)cc2)C1 ZINC000788708935 625248055 /nfs/dbraw/zinc/24/80/55/625248055.db2.gz DVSVOMTWGSJXCG-UHFFFAOYSA-N 0 0 318.461 3.306 20 10 DGCDRN C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788756235 625259269 /nfs/dbraw/zinc/25/92/69/625259269.db2.gz VPDNRTVSSDMBPT-MJKAUQOVSA-N 0 0 303.324 3.389 20 10 DGCDRN C[C@H]([NH2+]CC1(C)OCCCO1)c1cccc(C(F)(F)F)c1[O-] ZINC000788783729 625264764 /nfs/dbraw/zinc/26/47/64/625264764.db2.gz NVMVHACNPJQCRQ-JTQLQIEISA-N 0 0 319.323 3.215 20 10 DGCDRN C[C@H]([NH2+]CCN1CC=CCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788803830 625270101 /nfs/dbraw/zinc/27/01/01/625270101.db2.gz HNYOMAINJFQCTI-LBPRGKRZSA-N 0 0 314.351 3.324 20 10 DGCDRN C[C@@H]([NH2+]CCC1(O)CCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788826872 625277143 /nfs/dbraw/zinc/27/71/43/625277143.db2.gz HITPEOXDLYOMLE-SNVBAGLBSA-N 0 0 303.324 3.367 20 10 DGCDRN Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790950179 625720599 /nfs/dbraw/zinc/72/05/99/625720599.db2.gz MIFQRUSTNCZWBX-LBPRGKRZSA-N 0 0 309.772 3.085 20 10 DGCDRN Cn1ncc2c1CCC[C@H]2[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790950177 625720870 /nfs/dbraw/zinc/72/08/70/625720870.db2.gz MIFQRUSTNCZWBX-GFCCVEGCSA-N 0 0 309.772 3.085 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H](CO)Cc1ccccc1 ZINC000790955219 625721976 /nfs/dbraw/zinc/72/19/76/625721976.db2.gz CQVNJFCFGMMMME-CYBMUJFWSA-N 0 0 323.795 3.126 20 10 DGCDRN C[C@@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)N1CCCCC1 ZINC000790954786 625722026 /nfs/dbraw/zinc/72/20/26/625722026.db2.gz YJHMZUCCBSUWAR-NSHDSACASA-N 0 0 300.805 3.149 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000790955751 625722534 /nfs/dbraw/zinc/72/25/34/625722534.db2.gz XYGNTKOLVYWRAF-UHFFFAOYSA-N 0 0 307.752 3.409 20 10 DGCDRN CC1(C)[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)[C@@H]2CCCO[C@H]21 ZINC000790973478 625726681 /nfs/dbraw/zinc/72/66/81/625726681.db2.gz PEYKDIDUACQPFB-TZTCFGBESA-N 0 0 313.800 3.478 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC1(CO)CCCCC1 ZINC000790974323 625727171 /nfs/dbraw/zinc/72/71/71/625727171.db2.gz RULLBVFNJBWTBO-UHFFFAOYSA-N 0 0 301.789 3.217 20 10 DGCDRN OCCOc1ccc(NCc2c(O)ccc(Cl)c2F)cc1 ZINC000790983003 625729736 /nfs/dbraw/zinc/72/97/36/625729736.db2.gz ZEUQPKFQDLOZEI-UHFFFAOYSA-N 0 0 311.740 3.168 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1COc2ccccc2C1 ZINC000882880608 625843433 /nfs/dbraw/zinc/84/34/33/625843433.db2.gz AQIOHUOAUANYTD-LLVKDONJSA-N 0 0 305.324 3.011 20 10 DGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000882991303 625887778 /nfs/dbraw/zinc/88/77/78/625887778.db2.gz UTDCANIVEIVJEQ-AWEZNQCLSA-N 0 0 309.287 3.423 20 10 DGCDRN COc1ccc2c(c1)OCC[C@@H]2[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883018676 625898960 /nfs/dbraw/zinc/89/89/60/625898960.db2.gz LMPYUHSXKYFCKY-HNNXBMFYSA-N 0 0 321.323 3.292 20 10 DGCDRN Cc1cc(C(=O)Nc2ccc(O)cc2)c(C)n1-c1ccccn1 ZINC000130819028 625907517 /nfs/dbraw/zinc/90/75/17/625907517.db2.gz HDTFQDLYCCYOHV-UHFFFAOYSA-N 0 0 307.353 3.447 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000792173049 625919313 /nfs/dbraw/zinc/91/93/13/625919313.db2.gz QBQPEJFGGMEXQI-VXGBXAGGSA-N 0 0 313.800 3.433 20 10 DGCDRN Cc1noc(C2CC2)c1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000130972885 625926749 /nfs/dbraw/zinc/92/67/49/625926749.db2.gz YAHDXOCLROMYQC-UHFFFAOYSA-N 0 0 313.401 3.199 20 10 DGCDRN CN(C)C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccc(F)cc1 ZINC000883120089 625932607 /nfs/dbraw/zinc/93/26/07/625932607.db2.gz SNLIIXSPMLFUMZ-INIZCTEOSA-N 0 0 324.346 3.202 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@@H](CF)C1 ZINC000883140332 625940679 /nfs/dbraw/zinc/94/06/79/625940679.db2.gz QJAAJMXNMOVFPQ-INIZCTEOSA-N 0 0 319.424 3.178 20 10 DGCDRN COc1ccc2c(c1NC(=O)NCc1ccccc1O)CCC2 ZINC000792459143 625946908 /nfs/dbraw/zinc/94/69/08/625946908.db2.gz YVZHJAVSRIEHFD-UHFFFAOYSA-N 0 0 312.369 3.211 20 10 DGCDRN CCc1ccc([C@H]2CN(C(=O)C3=CC(=O)CS3)CCO2)cc1 ZINC000792508653 625951093 /nfs/dbraw/zinc/95/10/93/625951093.db2.gz AANHPQMVZSAQBB-OAHLLOKOSA-N 0 0 317.410 3.230 20 10 DGCDRN [O-]c1c(F)cc(Br)cc1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000883177745 625956310 /nfs/dbraw/zinc/95/63/10/625956310.db2.gz HTGQWDFZCKOTAZ-IAZYJMLFSA-N 0 0 300.171 3.182 20 10 DGCDRN O=C(N[C@H]1CC[C@H](c2ccc(F)cc2)C1)c1cccc(O)c1O ZINC000792630965 625967681 /nfs/dbraw/zinc/96/76/81/625967681.db2.gz XQKZLKWZFBGWFL-JSGCOSHPSA-N 0 0 315.344 3.303 20 10 DGCDRN COc1ccc2c(c1)CCCN2CC(=O)NCC1CCCCC1 ZINC000796295053 626036057 /nfs/dbraw/zinc/03/60/57/626036057.db2.gz BRCMGSDSADCWDF-UHFFFAOYSA-N 0 0 316.445 3.144 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1csc(NC(C)=O)n1 ZINC000796316671 626038084 /nfs/dbraw/zinc/03/80/84/626038084.db2.gz GMMWGRPTIRHXRB-UHFFFAOYSA-N 0 0 317.414 3.063 20 10 DGCDRN CC[C@@H]([NH2+]CCCN1CCCCCC1=O)c1ccc(F)cc1[O-] ZINC000796673063 626072096 /nfs/dbraw/zinc/07/20/96/626072096.db2.gz PXVGSKUGQAGQQR-MRXNPFEDSA-N 0 0 322.424 3.365 20 10 DGCDRN CC[C@@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1ccc(F)cc1[O-] ZINC000796685982 626073163 /nfs/dbraw/zinc/07/31/63/626073163.db2.gz VHYCJIDBFYWSEA-OAHLLOKOSA-N 0 0 317.364 3.263 20 10 DGCDRN CC[C@@H]([NH2+]CCc1c(C)nn(C)c1C)c1ccc(F)cc1[O-] ZINC000796685671 626073187 /nfs/dbraw/zinc/07/31/87/626073187.db2.gz ZPTCEYWLWBCRNJ-MRXNPFEDSA-N 0 0 305.397 3.165 20 10 DGCDRN CC[C@H]([NH2+]Cc1csc(N(C)C)n1)c1ccc(F)cc1[O-] ZINC000796777057 626081385 /nfs/dbraw/zinc/08/13/85/626081385.db2.gz AIDMQXIXYQQVJE-ZDUSSCGKSA-N 0 0 309.410 3.295 20 10 DGCDRN CC[C@H]([NH2+]C[C@H](CO)Cc1ccco1)c1ccc(F)cc1[O-] ZINC000796795964 626084049 /nfs/dbraw/zinc/08/40/49/626084049.db2.gz FSOPGZFDZZFOCR-WBMJQRKESA-N 0 0 307.365 3.016 20 10 DGCDRN CC[C@H]([NH2+][C@H](C(=O)N1CCCC1)C(C)C)c1ccc(F)cc1[O-] ZINC000796818539 626086100 /nfs/dbraw/zinc/08/61/00/626086100.db2.gz VBINUGWCYVABJA-RDJZCZTQSA-N 0 0 322.424 3.219 20 10 DGCDRN CC[C@@H](Nc1ccc2c(c1)NC(=O)CO2)c1ccc(F)cc1O ZINC000796860691 626091151 /nfs/dbraw/zinc/09/11/51/626091151.db2.gz XPLZWVJXXMHERI-CYBMUJFWSA-N 0 0 316.332 3.425 20 10 DGCDRN CC[C@@H]([NH2+][C@H](CO)Cc1ccccc1C)c1ccc(F)cc1[O-] ZINC000796959207 626100083 /nfs/dbraw/zinc/10/00/83/626100083.db2.gz LVPHIPBKPZRZGX-FUHWJXTLSA-N 0 0 317.404 3.484 20 10 DGCDRN CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](CC)c2ccc(F)cc2[O-])C1 ZINC000796978042 626101338 /nfs/dbraw/zinc/10/13/38/626101338.db2.gz KVQLBRWIPCRSJN-OSAQELSMSA-N 0 0 309.381 3.304 20 10 DGCDRN COc1c2ccccc2[nH]c1C(=O)N(C)Cc1ccccc1O ZINC000797190939 626124080 /nfs/dbraw/zinc/12/40/80/626124080.db2.gz RCOQTOSFISEBLP-UHFFFAOYSA-N 0 0 310.353 3.154 20 10 DGCDRN CC1=C(C)CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000797440882 626143487 /nfs/dbraw/zinc/14/34/87/626143487.db2.gz FLMHLBQFITXYRR-UHFFFAOYSA-N 0 0 305.397 3.143 20 10 DGCDRN COc1cccc(CNC(=O)NC[C@@H]2CCC[C@H](C)[C@H]2C)c1O ZINC000797541625 626151986 /nfs/dbraw/zinc/15/19/86/626151986.db2.gz HMJILZNEKUFLIQ-MJBXVCDLSA-N 0 0 320.433 3.272 20 10 DGCDRN COc1ccc(CNC(=O)Nc2ccc(C)cc2OC)c(O)c1 ZINC000797617590 626160499 /nfs/dbraw/zinc/16/04/99/626160499.db2.gz GLJRHOJRJCPQLX-UHFFFAOYSA-N 0 0 316.357 3.040 20 10 DGCDRN COc1ccc(CNC(=O)Nc2ncc(C(C)C)s2)c(O)c1 ZINC000797649995 626162272 /nfs/dbraw/zinc/16/22/72/626162272.db2.gz DBPXWURMDXJKGK-UHFFFAOYSA-N 0 0 321.402 3.302 20 10 DGCDRN CC(C)n1ccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000797680460 626163634 /nfs/dbraw/zinc/16/36/34/626163634.db2.gz IVGJZFJXRCDDOD-CYBMUJFWSA-N 0 0 315.421 3.413 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@H]2[C@H](c3ccccc3)[C@@H]2C)c1 ZINC000797745144 626167212 /nfs/dbraw/zinc/16/72/12/626167212.db2.gz WNZNNQUBUPQJIU-UYHISHBKSA-N 0 0 311.381 3.067 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1ccc(F)c2ccccc12 ZINC000797744318 626167221 /nfs/dbraw/zinc/16/72/21/626167221.db2.gz OLGXPSIPKGSRJH-UHFFFAOYSA-N 0 0 311.312 3.320 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC(C)(C)C(F)(F)F ZINC000797751148 626167222 /nfs/dbraw/zinc/16/72/22/626167222.db2.gz RHKXSAPLKRSMNH-SECBINFHSA-N 0 0 319.323 3.124 20 10 DGCDRN Cc1cc[nH]c1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000797866559 626175277 /nfs/dbraw/zinc/17/52/77/626175277.db2.gz VUWXXSUFQBATMP-UHFFFAOYSA-N 0 0 311.429 3.489 20 10 DGCDRN COC(=O)Nc1cccc(NCc2cccc(OC)c2O)c1C ZINC000797881383 626176637 /nfs/dbraw/zinc/17/66/37/626176637.db2.gz VUSWICFGWKKFAF-UHFFFAOYSA-N 0 0 316.357 3.500 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N[C@H]2C[C@H](c3ccccc3)C2)cc1 ZINC000797914098 626180495 /nfs/dbraw/zinc/18/04/95/626180495.db2.gz RTYMTIDMFXDTHC-IYARVYRRSA-N 0 0 323.440 3.498 20 10 DGCDRN CCn1ccnc1[C@@H]1CCCCN1C(=O)C1=CC(=O)CS1 ZINC000798119411 626195382 /nfs/dbraw/zinc/19/53/82/626195382.db2.gz YVIXQAAIJMZRGC-LBPRGKRZSA-N 0 0 305.403 3.038 20 10 DGCDRN C[C@@H]([NH2+]CCCn1ccnc1)c1cccc(C(F)(F)F)c1[O-] ZINC000798179916 626199825 /nfs/dbraw/zinc/19/98/25/626199825.db2.gz SUMFYWWCZQFREY-LLVKDONJSA-N 0 0 313.323 3.348 20 10 DGCDRN COc1ccc(CNc2nc3c(cccc3F)n2C)c(O)c1 ZINC000798398846 626215587 /nfs/dbraw/zinc/21/55/87/626215587.db2.gz AXGTVFSXMCPTQN-UHFFFAOYSA-N 0 0 301.321 3.039 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](CO)CCOC)c1ccc(Cl)c(Cl)c1[O-] ZINC000798940879 626261963 /nfs/dbraw/zinc/26/19/63/626261963.db2.gz OKAKTJJJZUMNOT-BXKDBHETSA-N 0 0 322.232 3.137 20 10 DGCDRN Cc1ccncc1N1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000798961928 626263256 /nfs/dbraw/zinc/26/32/56/626263256.db2.gz ILHHMDABUNSBAO-UHFFFAOYSA-N 0 0 317.820 3.071 20 10 DGCDRN COc1ccc(CNC(=O)c2c(F)cccc2SC)c(O)c1 ZINC000799007014 626265414 /nfs/dbraw/zinc/26/54/14/626265414.db2.gz UXCNELWMJHLMSA-UHFFFAOYSA-N 0 0 321.373 3.192 20 10 DGCDRN CCOc1ccc(N(C)Cc2ncnn2-c2ccccc2)cc1 ZINC000799124832 626274645 /nfs/dbraw/zinc/27/46/45/626274645.db2.gz UQBOQTWCGCBZGL-UHFFFAOYSA-N 0 0 308.385 3.302 20 10 DGCDRN Cc1ccc(CN(C[C@@H](C)O)c2ccc3c(c2)OCCO3)s1 ZINC000799132767 626275543 /nfs/dbraw/zinc/27/55/43/626275543.db2.gz LXERSHLSINRRSJ-GFCCVEGCSA-N 0 0 319.426 3.215 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)NCCc1ccc2[nH]ccc2c1 ZINC000799717436 626323921 /nfs/dbraw/zinc/32/39/21/626323921.db2.gz FGGBWKGXPLAXFF-UHFFFAOYSA-N 0 0 323.396 3.258 20 10 DGCDRN CN(C)c1ccc(CNc2ccc3[nH]c(=O)n(C)c3c2)cc1F ZINC000799740090 626327128 /nfs/dbraw/zinc/32/71/28/626327128.db2.gz IYDOHZWJDSAQMK-UHFFFAOYSA-N 0 0 314.364 3.096 20 10 DGCDRN CCSCCCNC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000799886047 626333705 /nfs/dbraw/zinc/33/37/05/626333705.db2.gz SQTKEGPGSCAMHO-UHFFFAOYSA-N 0 0 323.506 3.475 20 10 DGCDRN COc1cc(NCc2cc3c(cc2O)OCO3)c(C)c(OC)c1 ZINC000800291328 626348980 /nfs/dbraw/zinc/34/89/80/626348980.db2.gz PRZFXJGJJHZZKP-UHFFFAOYSA-N 0 0 317.341 3.059 20 10 DGCDRN Cc1ccc(C(=O)N2CCc3cc(F)cc(C)c3C2)c(O)c1O ZINC000800636077 626369764 /nfs/dbraw/zinc/36/97/64/626369764.db2.gz CHBIFSKYYFGCOJ-UHFFFAOYSA-N 0 0 315.344 3.052 20 10 DGCDRN CSC[C@@H](C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839917871 626371349 /nfs/dbraw/zinc/37/13/49/626371349.db2.gz IMBWZRXRRAPOPN-ZIAGYGMSSA-N 0 0 308.491 3.107 20 10 DGCDRN Cc1cc(C(=O)NC2(C(F)F)CC2)c(C)n1-c1ccccn1 ZINC000800680668 626371431 /nfs/dbraw/zinc/37/14/31/626371431.db2.gz QBISMMQBWRSYNM-UHFFFAOYSA-N 0 0 305.328 3.017 20 10 DGCDRN CCCCO[C@@H](C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839920037 626373192 /nfs/dbraw/zinc/37/31/92/626373192.db2.gz ZXYDQBRBUAEGDT-HOTGVXAUSA-N 0 0 320.477 3.313 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ncccc1C ZINC000839920095 626373313 /nfs/dbraw/zinc/37/33/13/626373313.db2.gz KQAIDAFSZAFDRY-OAHLLOKOSA-N 0 0 311.429 3.125 20 10 DGCDRN CS[C@H](C)CC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839920975 626373647 /nfs/dbraw/zinc/37/36/47/626373647.db2.gz WCFKFILDXAFIIN-ZIAGYGMSSA-N 0 0 308.491 3.250 20 10 DGCDRN CS[C@@H](C)CC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839920971 626373754 /nfs/dbraw/zinc/37/37/54/626373754.db2.gz WCFKFILDXAFIIN-KBPBESRZSA-N 0 0 308.491 3.250 20 10 DGCDRN CCC(C)(C)OCC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839921191 626374101 /nfs/dbraw/zinc/37/41/01/626374101.db2.gz BCMKNSBODAPMQK-HNNXBMFYSA-N 0 0 320.477 3.313 20 10 DGCDRN CO[C@@H](C)c1nsc(NCc2ccc(N3CC=CC3)cc2)n1 ZINC000800852559 626378955 /nfs/dbraw/zinc/37/89/55/626378955.db2.gz CNRDFQZFPSLHNS-LBPRGKRZSA-N 0 0 316.430 3.234 20 10 DGCDRN Cc1cc(C)nc(C(=O)NCCCSc2nccs2)c1 ZINC000801155584 626395892 /nfs/dbraw/zinc/39/58/92/626395892.db2.gz YESZRQGOWFTDGU-UHFFFAOYSA-N 0 0 307.444 3.067 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cc(C)nc(C)n1 ZINC000801549446 626409341 /nfs/dbraw/zinc/40/93/41/626409341.db2.gz OFISOBKDSJADTH-UHFFFAOYSA-N 0 0 313.401 3.242 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@@]1(C)CCOC1 ZINC000802151534 626433665 /nfs/dbraw/zinc/43/36/65/626433665.db2.gz CKNZYIUOPQQIDH-GOSISDBHSA-N 0 0 320.433 3.131 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@]1(C)CCCO1 ZINC000802230133 626436305 /nfs/dbraw/zinc/43/63/05/626436305.db2.gz YTFNOANAOHMFAX-SFHVURJKSA-N 0 0 320.433 3.273 20 10 DGCDRN C[C@H](Cn1ccc2ccccc21)C(=O)NCc1ccccc1O ZINC000802777382 626571126 /nfs/dbraw/zinc/57/11/26/626571126.db2.gz LEPFUKHRYKOORZ-CQSZACIVSA-N 0 0 308.381 3.299 20 10 DGCDRN C[C@@H](Cn1ccc2ccccc21)C(=O)NCc1ccc(O)c(O)c1 ZINC000802784932 626571719 /nfs/dbraw/zinc/57/17/19/626571719.db2.gz USILAMRCXAOFRG-ZDUSSCGKSA-N 0 0 324.380 3.005 20 10 DGCDRN CCOc1ccc(O)c([C@H]2NC(C)(C)C(=O)N2CC(C)(C)C)c1 ZINC000840829069 626578745 /nfs/dbraw/zinc/57/87/45/626578745.db2.gz WPAIVCUXGCVUQI-HNNXBMFYSA-N 0 0 320.433 3.046 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2c(c1)CCC=C2 ZINC000803089763 626594021 /nfs/dbraw/zinc/59/40/21/626594021.db2.gz IKVZNIVYEKQSQV-CYBMUJFWSA-N 0 0 323.392 3.418 20 10 DGCDRN CC(C)c1ncc(C(=O)NCc2ccc(N(C)C)c(F)c2)s1 ZINC000131206786 626606736 /nfs/dbraw/zinc/60/67/36/626606736.db2.gz JJRGRQOMSXLCKE-UHFFFAOYSA-N 0 0 321.421 3.402 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@@H](C)Cc2ccccc2F)c1 ZINC000131478985 626641366 /nfs/dbraw/zinc/64/13/66/626641366.db2.gz USDYCVCMJBZPAE-LBPRGKRZSA-N 0 0 317.360 3.035 20 10 DGCDRN CC[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)[C@@H]1CCCOC1 ZINC000883353486 626657216 /nfs/dbraw/zinc/65/72/16/626657216.db2.gz VNGVJCXMOPWURR-ZWNOBZJWSA-N 0 0 301.789 3.480 20 10 DGCDRN CCN1CC[C@H]1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000883355594 626658048 /nfs/dbraw/zinc/65/80/48/626658048.db2.gz UXVNSZUMAWGXGT-MNOVXSKESA-N 0 0 302.340 3.156 20 10 DGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2c3ccccc3CC[C@H]2F)c1 ZINC000883382200 626667650 /nfs/dbraw/zinc/66/76/50/626667650.db2.gz BGBGYBDFZBFJDL-NVXWUHKLSA-N 0 0 316.332 3.416 20 10 DGCDRN C[C@@H](Nc1ccc(F)cn1)c1ccc(N2CCOCC2)cc1 ZINC000804378509 626674702 /nfs/dbraw/zinc/67/47/02/626674702.db2.gz UPRCLWXRMIAMEJ-CYBMUJFWSA-N 0 0 301.365 3.230 20 10 DGCDRN CC[C@H]([NH2+]CC(=O)NC1CCCC1)c1cccc(Cl)c1[O-] ZINC000806146849 626702475 /nfs/dbraw/zinc/70/24/75/626702475.db2.gz RFDWNDWSCZFLJD-AWEZNQCLSA-N 0 0 310.825 3.145 20 10 DGCDRN CCNC(=O)C(C)(C)C[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000806156018 626702920 /nfs/dbraw/zinc/70/29/20/626702920.db2.gz XXHHQSSSOVLZLB-ZDUSSCGKSA-N 0 0 312.841 3.249 20 10 DGCDRN CC[C@@H]([NH2+]Cc1cn(C)nn1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806157419 626703189 /nfs/dbraw/zinc/70/31/89/626703189.db2.gz FSWPCMZYFQCVLC-GFCCVEGCSA-N 0 0 315.204 3.068 20 10 DGCDRN COC(=O)c1ccc(CN(C)c2ccc(OC)cc2OC)s1 ZINC000132207587 626707689 /nfs/dbraw/zinc/70/76/89/626707689.db2.gz DIWUJEKQRLZCDF-UHFFFAOYSA-N 0 0 321.398 3.188 20 10 DGCDRN COc1ccc(N(C)CCOc2ccccc2OC)c(OC)c1 ZINC000132217340 626707848 /nfs/dbraw/zinc/70/78/48/626707848.db2.gz ROPZSSJZMWUJDD-UHFFFAOYSA-N 0 0 317.385 3.228 20 10 DGCDRN Cc1cc([N+](=O)[O-])ccc1NNC(=S)Nc1ccccc1 ZINC000806589360 626725218 /nfs/dbraw/zinc/72/52/18/626725218.db2.gz DWFAQVOGGZQBLF-UHFFFAOYSA-N 0 0 302.359 3.217 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@@H](C)c2ccncc2)c1 ZINC000132757574 626738731 /nfs/dbraw/zinc/73/87/31/626738731.db2.gz WPYBWKCATNBLKQ-OLZOCXBDSA-N 0 0 314.385 3.167 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@H](C)c2ccncc2)c1 ZINC000132757367 626738851 /nfs/dbraw/zinc/73/88/51/626738851.db2.gz WPYBWKCATNBLKQ-STQMWFEESA-N 0 0 314.385 3.167 20 10 DGCDRN C[C@@H](NC(=O)N[C@H](C)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000807139262 626747399 /nfs/dbraw/zinc/74/73/99/626747399.db2.gz AVONNNLMCMUHRE-NXEZZACHSA-N 0 0 303.328 3.064 20 10 DGCDRN C[C@H]1CC[C@H]1NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000807557329 626759962 /nfs/dbraw/zinc/75/99/62/626759962.db2.gz XYCSQLYAFFDRBS-XJKSGUPXSA-N 0 0 314.385 3.496 20 10 DGCDRN CC1(C)CC(=O)c2cc(NC(=O)C3=CC(=O)CS3)ccc2O1 ZINC000807669163 626764282 /nfs/dbraw/zinc/76/42/82/626764282.db2.gz DFTOMQHMTKTTSE-UHFFFAOYSA-N 0 0 317.366 3.450 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3cc4occc4[nH]3)ccc21 ZINC000133332215 626781653 /nfs/dbraw/zinc/78/16/53/626781653.db2.gz LTMINWOIXPGKDV-UHFFFAOYSA-N 0 0 309.369 3.073 20 10 DGCDRN Nc1ccc(NC(=O)C[C@@H]2CCc3sccc3C2=O)cc1 ZINC000884009041 626788237 /nfs/dbraw/zinc/78/82/37/626788237.db2.gz JYUKWGIPNRZZPZ-JTQLQIEISA-N 0 0 300.383 3.104 20 10 DGCDRN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)c1ccc(N(C)C)cc1 ZINC000808023752 626788346 /nfs/dbraw/zinc/78/83/46/626788346.db2.gz XIYRQKNTFRUKFU-LLVKDONJSA-N 0 0 317.393 3.359 20 10 DGCDRN COc1ccc(O)c(CNC(=O)[C@@H](C)OC2CCCCCC2)c1 ZINC000133460063 626788788 /nfs/dbraw/zinc/78/87/88/626788788.db2.gz CKBBDGZVMXJJFX-CYBMUJFWSA-N 0 0 321.417 3.145 20 10 DGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)c1cccc(F)c1 ZINC000808095366 626792367 /nfs/dbraw/zinc/79/23/67/626792367.db2.gz YXMRDOVORUWGID-GFCCVEGCSA-N 0 0 322.376 3.437 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C2(C(F)F)CCCC2)cc1F ZINC000808327461 626815958 /nfs/dbraw/zinc/81/59/58/626815958.db2.gz ALWHSZQCJGYALY-UHFFFAOYSA-N 0 0 314.351 3.333 20 10 DGCDRN CC(=O)C(=O)COC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000808484906 626831704 /nfs/dbraw/zinc/83/17/04/626831704.db2.gz LKSADFUIKOJVNU-LBPRGKRZSA-N 0 0 322.426 3.214 20 10 DGCDRN Cc1cc(Cl)cc([C@@H](C)N[C@@H](C)c2nnnn2C2CC2)c1O ZINC000808716440 626853051 /nfs/dbraw/zinc/85/30/51/626853051.db2.gz NOLYMJIMNILMQT-ZJUUUORDSA-N 0 0 321.812 3.087 20 10 DGCDRN C[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000808721088 626853774 /nfs/dbraw/zinc/85/37/74/626853774.db2.gz HORBHWMZJKWCLH-XMZIXOGTSA-N 0 0 307.340 3.443 20 10 DGCDRN CCOc1ccc(N(C)Cc2cnnn2-c2ccccc2)cc1 ZINC000808728683 626855010 /nfs/dbraw/zinc/85/50/10/626855010.db2.gz RDBFXJQIFYSBKR-UHFFFAOYSA-N 0 0 308.385 3.302 20 10 DGCDRN COc1ccc2c(c1)CC[C@H](C(=O)N(C)c1ccc(N)cc1)C2 ZINC000884441256 626880848 /nfs/dbraw/zinc/88/08/48/626880848.db2.gz DBNBBXROAILPRS-HNNXBMFYSA-N 0 0 310.397 3.045 20 10 DGCDRN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000135049175 626903622 /nfs/dbraw/zinc/90/36/22/626903622.db2.gz UCSHFIJCAOFQNK-NSHDSACASA-N 0 0 311.809 3.368 20 10 DGCDRN C[C@H](CO)[N@@H+](Cc1cc(Cl)cc(F)c1[O-])CC1CCC1 ZINC000809665517 626934575 /nfs/dbraw/zinc/93/45/75/626934575.db2.gz VGOADMBQXFPUON-SNVBAGLBSA-N 0 0 301.789 3.168 20 10 DGCDRN C[C@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccc(N(C)C)c(F)c1 ZINC000809697290 626937804 /nfs/dbraw/zinc/93/78/04/626937804.db2.gz ZCXLJHQXNGIZCD-IINYFYTJSA-N 0 0 320.330 3.043 20 10 DGCDRN C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc(Cl)cc(F)c1[O-] ZINC000809703952 626939392 /nfs/dbraw/zinc/93/93/92/626939392.db2.gz SEIPMMOIBRPFRA-FZMZJTMJSA-N 0 0 312.816 3.243 20 10 DGCDRN COc1c([O-])c(C[NH2+]C(C2CCC2)C2CCC2)ccc1[N+](=O)[O-] ZINC000809712127 626940112 /nfs/dbraw/zinc/94/01/12/626940112.db2.gz CMIMSHUPVLAVPW-UHFFFAOYSA-N 0 0 320.389 3.367 20 10 DGCDRN C[NH+](C)CCN(Cc1ccccn1)Cc1cccc(Cl)c1[O-] ZINC000809742413 626945006 /nfs/dbraw/zinc/94/50/06/626945006.db2.gz XBHLKFIPJXYGGU-UHFFFAOYSA-N 0 0 319.836 3.004 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1COc2ccc(F)cc2C1 ZINC000809791965 626954572 /nfs/dbraw/zinc/95/45/72/626954572.db2.gz CWJXDLMMLBOAGL-ZDUSSCGKSA-N 0 0 307.752 3.278 20 10 DGCDRN CN(C)c1ccc(CN(C(=O)[C@@H]2CCCSC2)C2CC2)cc1 ZINC000810064322 626974044 /nfs/dbraw/zinc/97/40/44/626974044.db2.gz BLGCQNNGWRLEIP-OAHLLOKOSA-N 0 0 318.486 3.387 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCCSC1 ZINC000810112458 626976813 /nfs/dbraw/zinc/97/68/13/626976813.db2.gz VITPZAKOJNMQKL-HNNXBMFYSA-N 0 0 304.459 3.046 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCSC2)cc1 ZINC000810164501 626982804 /nfs/dbraw/zinc/98/28/04/626982804.db2.gz ILPZDTWNVDHZLD-OAHLLOKOSA-N 0 0 306.475 3.292 20 10 DGCDRN COCC[C@H](COC)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000810258020 626993720 /nfs/dbraw/zinc/99/37/20/626993720.db2.gz XZXNVVJQFKYACQ-NXEZZACHSA-N 0 0 322.232 3.401 20 10 DGCDRN CC[C@@H]([NH2+][C@@H](CCOC)COC)c1cccc(Cl)c1[O-] ZINC000810258003 626993835 /nfs/dbraw/zinc/99/38/35/626993835.db2.gz XUZVCHHPLSZKOC-SMDDNHRTSA-N 0 0 301.814 3.138 20 10 DGCDRN Cc1cccc2c1OC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])C2 ZINC000810259512 626994100 /nfs/dbraw/zinc/99/41/00/626994100.db2.gz KLSOKKBRPXQNFJ-DOMZBBRYSA-N 0 0 301.361 3.494 20 10 DGCDRN CC[C@@H](C[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-])OC ZINC000810260049 626994611 /nfs/dbraw/zinc/99/46/11/626994611.db2.gz CKHMHTCIEKPIBF-SCZZXKLOSA-N 0 0 320.202 3.369 20 10 DGCDRN COc1cc(F)c(F)cc1NC(=O)NCc1ccccc1O ZINC000810271591 626995431 /nfs/dbraw/zinc/99/54/31/626995431.db2.gz XAERXPDFPHUPIK-UHFFFAOYSA-N 0 0 308.284 3.001 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ncsc2C(C)C)c1 ZINC000810348570 627002804 /nfs/dbraw/zinc/00/28/04/627002804.db2.gz XPTOFISPAMLWSK-SNVBAGLBSA-N 0 0 320.414 3.472 20 10 DGCDRN C[C@H](C(=O)N(C)Cc1ccccc1O)c1c(F)cccc1F ZINC000136462979 627081314 /nfs/dbraw/zinc/08/13/14/627081314.db2.gz AJDIYVBDAJOCIK-NSHDSACASA-N 0 0 305.324 3.433 20 10 DGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc[nH]1 ZINC000137250802 627113416 /nfs/dbraw/zinc/11/34/16/627113416.db2.gz NMQLPBZNABFRJF-UHFFFAOYSA-N 0 0 323.190 3.145 20 10 DGCDRN CCn1cc(Cl)c(NCc2ccc(N3CCOCC3)cc2)n1 ZINC000886368307 627143954 /nfs/dbraw/zinc/14/39/54/627143954.db2.gz MQFBSKRKMBCIRU-UHFFFAOYSA-N 0 0 320.824 3.005 20 10 DGCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000890269581 627151127 /nfs/dbraw/zinc/15/11/27/627151127.db2.gz MOWQZADYJJKZQQ-AOOOYVTPSA-N 0 0 303.383 3.185 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1COc2ccccc2O1)c1c([O-])cccc1F ZINC000886489498 627152154 /nfs/dbraw/zinc/15/21/54/627152154.db2.gz KHYUXJLOAMIQGH-RYUDHWBXSA-N 0 0 303.333 3.022 20 10 DGCDRN C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1c([O-])cccc1F ZINC000886511153 627154834 /nfs/dbraw/zinc/15/48/34/627154834.db2.gz KMVXUTSMDLXVRP-JSGCOSHPSA-N 0 0 321.367 3.172 20 10 DGCDRN C[C@H]([NH2+]C[C@H]1COc2ccccc2C1)c1c([O-])cccc1F ZINC000886513090 627155703 /nfs/dbraw/zinc/15/57/03/627155703.db2.gz SZKVYMZGBJYEDG-STQMWFEESA-N 0 0 301.361 3.433 20 10 DGCDRN C[C@H]([NH2+][C@@H](CO)[C@@H](C)c1ccccc1)c1c([O-])cccc1F ZINC000886547546 627160665 /nfs/dbraw/zinc/16/06/65/627160665.db2.gz NBKJJMXDPSHKNI-XEZPLFJOSA-N 0 0 303.377 3.347 20 10 DGCDRN COC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2c([O-])cccc2F)CC1 ZINC000886594556 627169150 /nfs/dbraw/zinc/16/91/50/627169150.db2.gz OYOTYWVEBNAOGQ-NEPJUHHUSA-N 0 0 324.396 3.049 20 10 DGCDRN C[C@H](Nc1ccc(OC2COC2)cc1)c1c(O)cccc1F ZINC000886597225 627170738 /nfs/dbraw/zinc/17/07/38/627170738.db2.gz ZOVSOQCRVCHZJX-NSHDSACASA-N 0 0 303.333 3.482 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1c([O-])cccc1F ZINC000886609232 627172659 /nfs/dbraw/zinc/17/26/59/627172659.db2.gz OYCGJHMCVTWPOW-IPQOISQHSA-N 0 0 321.417 3.261 20 10 DGCDRN C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1)c1c([O-])cccc1F ZINC000886612490 627173076 /nfs/dbraw/zinc/17/30/76/627173076.db2.gz MKSYYHNFDWHMHM-OHNRDTAOSA-N 0 0 315.388 3.348 20 10 DGCDRN C[C@H]([NH2+]C[C@@H]1c2ccccc2CN1C)c1c([O-])cccc1F ZINC000886648199 627180070 /nfs/dbraw/zinc/18/00/70/627180070.db2.gz NPLDNLOBUDAZLN-BLLLJJGKSA-N 0 0 300.377 3.369 20 10 DGCDRN C[C@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1c([O-])cccc1F ZINC000886649475 627180698 /nfs/dbraw/zinc/18/06/98/627180698.db2.gz BRADTHWUDGQRJW-ZETCQYMHSA-N 0 0 317.229 3.354 20 10 DGCDRN CC[C@H](N[C@@H](CCO)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000886799028 627205826 /nfs/dbraw/zinc/20/58/26/627205826.db2.gz LPANPTQWMGCNQD-KBPBESRZSA-N 0 0 304.356 3.107 20 10 DGCDRN CCN1C(=O)c2ccccc2N[C@@H]1c1cc(C)cc(OC)c1O ZINC000887324062 627243824 /nfs/dbraw/zinc/24/38/24/627243824.db2.gz QCFXZWXYZDIOLT-KRWDZBQOSA-N 0 0 312.369 3.296 20 10 DGCDRN COc1ccc(O)c(CNc2ncccc2Br)c1 ZINC000811806434 627323363 /nfs/dbraw/zinc/32/33/63/627323363.db2.gz WOBPUPPQTFXWLA-UHFFFAOYSA-N 0 0 309.163 3.170 20 10 DGCDRN Cc1nc(NCCc2ccc(O)c(O)c2)ccc1Br ZINC000811811427 627324570 /nfs/dbraw/zinc/32/45/70/627324570.db2.gz TVLGWDYJRLYJGL-UHFFFAOYSA-N 0 0 323.190 3.218 20 10 DGCDRN C[C@]12CN(C(=O)/C=C\c3ccc(O)c(O)c3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000887883490 627337419 /nfs/dbraw/zinc/33/74/19/627337419.db2.gz OZIXRAFOCOYPJC-GBWOQRIASA-N 0 0 313.397 3.006 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H](C)C1CC1 ZINC000840243895 627341777 /nfs/dbraw/zinc/34/17/77/627341777.db2.gz QGBPMJXENKBUET-ZIAGYGMSSA-N 0 0 303.450 3.090 20 10 DGCDRN CCCc1nsc(NCc2ccc3c(c2)CCCN3C)n1 ZINC000812456559 627388035 /nfs/dbraw/zinc/38/80/35/627388035.db2.gz IYSBNRYWSJJXFJ-UHFFFAOYSA-N 0 0 302.447 3.485 20 10 DGCDRN CO[C@@H](C)[C@@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000812577256 627399335 /nfs/dbraw/zinc/39/93/35/627399335.db2.gz QZXUEPJXVORWJG-CABCVRRESA-N 0 0 321.465 3.096 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](O)C2(C)C)cc1 ZINC000812697079 627412319 /nfs/dbraw/zinc/41/23/19/627412319.db2.gz FMZQNORXHQETTI-QGZVFWFLSA-N 0 0 312.413 3.080 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1ncc([N+](=O)[O-])cc1F ZINC000840264049 627412802 /nfs/dbraw/zinc/41/28/02/627412802.db2.gz NKYOBIGLGYTAMD-UHFFFAOYSA-N 0 0 304.325 3.115 20 10 DGCDRN C[C@H](Nc1ncc([N+](=O)[O-])cc1F)c1ccc(N(C)C)cc1 ZINC000840287961 627480505 /nfs/dbraw/zinc/48/05/05/627480505.db2.gz BTKNCBWUHIKFQW-JTQLQIEISA-N 0 0 304.325 3.368 20 10 DGCDRN CCc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)ccc1O ZINC000813430983 627489322 /nfs/dbraw/zinc/48/93/22/627489322.db2.gz YOOUBSWANYSODF-UHFFFAOYSA-N 0 0 316.376 3.090 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc[nH]c2C2CCC2)c1 ZINC000813488834 627493207 /nfs/dbraw/zinc/49/32/07/627493207.db2.gz GRIOSEFJSDXAEW-NSHDSACASA-N 0 0 314.385 3.487 20 10 DGCDRN C[C@@H](NC(=O)C[C@H]1CC(C)(C)CO1)c1ccc(N(C)C)cc1 ZINC000890031577 627495564 /nfs/dbraw/zinc/49/55/64/627495564.db2.gz ZCZJMDPYTQURPG-CJNGLKHVSA-N 0 0 304.434 3.135 20 10 DGCDRN C[C@@H](NC(=O)C[C@@H](O)CC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000813524486 627496011 /nfs/dbraw/zinc/49/60/11/627496011.db2.gz CMXGYZUSZNGPNI-CZUORRHYSA-N 0 0 306.450 3.117 20 10 DGCDRN CN(C)c1ccc(CNc2c3ccccc3ncc2[N+](=O)[O-])cc1 ZINC000813585232 627499475 /nfs/dbraw/zinc/49/94/75/627499475.db2.gz GCLWLLDUQBTDTE-UHFFFAOYSA-N 0 0 322.368 3.243 20 10 DGCDRN COC(=O)c1ccc(NCc2ccc(N3CCCC3)cc2)nc1 ZINC000813586329 627499600 /nfs/dbraw/zinc/49/96/00/627499600.db2.gz WSMVBPBPLCHPFO-UHFFFAOYSA-N 0 0 311.385 3.081 20 10 DGCDRN CC[C@H](C)CONC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000813824605 627513333 /nfs/dbraw/zinc/51/33/33/627513333.db2.gz PMHCCPMWEJRXNN-LBPRGKRZSA-N 0 0 306.406 3.048 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](C2CCC2)C1 ZINC000840302581 627518278 /nfs/dbraw/zinc/51/82/78/627518278.db2.gz QSRXUOBTXYPCJF-QGZVFWFLSA-N 0 0 315.461 3.393 20 10 DGCDRN CSCCCNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840306534 627523846 /nfs/dbraw/zinc/52/38/46/627523846.db2.gz VXSOCDXZGLRUQR-CQSZACIVSA-N 0 0 323.506 3.044 20 10 DGCDRN CSC[C@@H](C)NC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840306174 627523967 /nfs/dbraw/zinc/52/39/67/627523967.db2.gz RXAPULXOLJEIIU-UONOGXRCSA-N 0 0 323.506 3.043 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ncccc1Cl ZINC000814103756 627542064 /nfs/dbraw/zinc/54/20/64/627542064.db2.gz VBVNWFFVAZOJHG-UHFFFAOYSA-N 0 0 317.820 3.463 20 10 DGCDRN Cc1ccoc1C[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000814175389 627546287 /nfs/dbraw/zinc/54/62/87/627546287.db2.gz UROKDFAPEGPECX-UHFFFAOYSA-N 0 0 310.737 3.487 20 10 DGCDRN CN(C)c1ccc(CN(C(=S)NC2CCC2)C2CC2)cc1 ZINC000814194130 627549281 /nfs/dbraw/zinc/54/92/81/627549281.db2.gz NTMRBSPZWMEVLW-UHFFFAOYSA-N 0 0 303.475 3.144 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)c2ccc[nH]2)cc1 ZINC000004541474 627555543 /nfs/dbraw/zinc/55/55/43/627555543.db2.gz QRYFCIJCYOPOJM-UHFFFAOYSA-N 0 0 322.364 3.462 20 10 DGCDRN COc1ccc(C)cc1/C=C1/SC(=S)N(C2CC2)C1=O ZINC000814285566 627556943 /nfs/dbraw/zinc/55/69/43/627556943.db2.gz XXANHYVHMJYYMC-MDWZMJQESA-N 0 0 305.424 3.367 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCC[C@@H](OC)C2)cc1 ZINC000814405888 627562884 /nfs/dbraw/zinc/56/28/84/627562884.db2.gz HSUIVWZDYXIISU-FUHWJXTLSA-N 0 0 318.461 3.354 20 10 DGCDRN CO[C@@H]1CCC[C@H](C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000814415583 627563841 /nfs/dbraw/zinc/56/38/41/627563841.db2.gz WNGBWSOTMJJXRC-UKPHBRMFSA-N 0 0 304.434 3.135 20 10 DGCDRN CCC1(CC)CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000814905119 627605719 /nfs/dbraw/zinc/60/57/19/627605719.db2.gz ORBSUCGATXIWKR-VQHVLOKHSA-N 0 0 318.373 3.407 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCC[C@H]1OC ZINC000815131831 627633629 /nfs/dbraw/zinc/63/36/29/627633629.db2.gz NJLRHVVXPJPGON-QZTJIDSGSA-N 0 0 318.461 3.306 20 10 DGCDRN CC(C)n1cc([C@H](C)NCc2ccc(N3CCCC3)cc2)nn1 ZINC000924646541 627662260 /nfs/dbraw/zinc/66/22/60/627662260.db2.gz CAXQBZBIQDBGTQ-HNNXBMFYSA-N 0 0 313.449 3.310 20 10 DGCDRN C[C@H]([NH2+][C@@H]1CCCN(C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815563998 627685656 /nfs/dbraw/zinc/68/56/56/627685656.db2.gz UPOZNXXKNZXANP-WDEREUQCSA-N 0 0 302.340 3.156 20 10 DGCDRN C[C@H]([NH2+]CC1=CCCOC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815626560 627692397 /nfs/dbraw/zinc/69/23/97/627692397.db2.gz HCENNPTTZUDULJ-JTQLQIEISA-N 0 0 301.308 3.408 20 10 DGCDRN COc1cccc2c1[C@@H](C(=O)N(C)Cc1ccccc1O)CC2 ZINC000815796599 627704869 /nfs/dbraw/zinc/70/48/69/627704869.db2.gz DCTDQNSGEJTZLH-HNNXBMFYSA-N 0 0 311.381 3.089 20 10 DGCDRN CO[C@@H]1CCCC[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000815835830 627706951 /nfs/dbraw/zinc/70/69/51/627706951.db2.gz HAXWFLKPJTVQND-CRAIPNDOSA-N 0 0 317.429 3.092 20 10 DGCDRN O=C(NCc1ccccc1O)c1ccc(OC(F)F)c(F)c1 ZINC000815834127 627706986 /nfs/dbraw/zinc/70/69/86/627706986.db2.gz UMUHIWYBTAPHLS-UHFFFAOYSA-N 0 0 311.259 3.063 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)C(C)(C)OC ZINC000925497943 627742601 /nfs/dbraw/zinc/74/26/01/627742601.db2.gz AOHNAEVHBGPOLG-CYBMUJFWSA-N 0 0 308.422 3.127 20 10 DGCDRN CCCc1nc(C)c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000816180303 627750131 /nfs/dbraw/zinc/75/01/31/627750131.db2.gz KMUHYEKQPJOUTR-LBPRGKRZSA-N 0 0 315.417 3.493 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(C2)CCOCC3)cc1 ZINC000816300418 627766779 /nfs/dbraw/zinc/76/67/79/627766779.db2.gz XTDJIFSCKQZPNT-UHFFFAOYSA-N 0 0 324.424 3.347 20 10 DGCDRN CC[C@@H](c1ccc(F)cc1[O-])[N@@H+]1CCOc2ccc(N)cc2C1 ZINC000925753880 627788574 /nfs/dbraw/zinc/78/85/74/627788574.db2.gz KUHRAQMFAWMOLC-INIZCTEOSA-N 0 0 316.376 3.459 20 10 DGCDRN CCN(Cc1cnn(C)c1Cl)Cc1ccc(N(C)C)cc1 ZINC000816480213 627795072 /nfs/dbraw/zinc/79/50/72/627795072.db2.gz GWMVTEXFDHKIID-UHFFFAOYSA-N 0 0 306.841 3.162 20 10 DGCDRN OCCOc1ccc(NCc2cc(Cl)c(F)cc2O)cc1 ZINC000816526411 627802146 /nfs/dbraw/zinc/80/21/46/627802146.db2.gz CZDZOHQKFWDDKB-UHFFFAOYSA-N 0 0 311.740 3.168 20 10 DGCDRN CC[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])N1CCCC1 ZINC000816534492 627803176 /nfs/dbraw/zinc/80/31/76/627803176.db2.gz KOMCLJWQXABZTC-LBPRGKRZSA-N 0 0 300.805 3.149 20 10 DGCDRN CC(C)[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])N1CCCC1 ZINC000816534265 627803461 /nfs/dbraw/zinc/80/34/61/627803461.db2.gz CPNCOPDBCJUQLG-HNNXBMFYSA-N 0 0 314.832 3.395 20 10 DGCDRN C[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])N1CCC(C)CC1 ZINC000816543906 627804793 /nfs/dbraw/zinc/80/47/93/627804793.db2.gz RHZMTWMMPXDTLH-LBPRGKRZSA-N 0 0 314.832 3.395 20 10 DGCDRN C[C@@]1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCCC[C@@H]1O ZINC000816555868 627806470 /nfs/dbraw/zinc/80/64/70/627806470.db2.gz SCPRMSNQFSFDJC-GJZGRUSLSA-N 0 0 301.789 3.216 20 10 DGCDRN CC(C)(C)[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@H]1O ZINC000816560691 627808016 /nfs/dbraw/zinc/80/80/16/627808016.db2.gz XMVVMXNXNDFUIL-IAQYHMDHSA-N 0 0 315.816 3.414 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000816566343 627809197 /nfs/dbraw/zinc/80/91/97/627809197.db2.gz RTOUVSNTLRCJPW-SECBINFHSA-N 0 0 309.715 3.388 20 10 DGCDRN Cc1cccc(C[C@@H](CO)[NH2+]Cc2cc(Cl)c(F)cc2[O-])c1 ZINC000816588720 627811833 /nfs/dbraw/zinc/81/18/33/627811833.db2.gz WWLKCYATRPIEBP-AWEZNQCLSA-N 0 0 323.795 3.186 20 10 DGCDRN Cc1ccc(C[C@H](CO)[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816588260 627811891 /nfs/dbraw/zinc/81/18/91/627811891.db2.gz JOPNYNMUZNVYRO-CQSZACIVSA-N 0 0 323.795 3.186 20 10 DGCDRN O=C1OCc2ccc(NCc3cc(Cl)c(F)cc3O)cc21 ZINC000816612997 627814681 /nfs/dbraw/zinc/81/46/81/627814681.db2.gz DWWAXMPLTPHXPU-UHFFFAOYSA-N 0 0 307.708 3.467 20 10 DGCDRN CC(C)[C@]1(CO)CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000816662143 627821435 /nfs/dbraw/zinc/82/14/35/627821435.db2.gz IPUKEEJFGJTERJ-MRXNPFEDSA-N 0 0 315.816 3.415 20 10 DGCDRN CN(C)c1ccc(CN2CCOC[C@@H]2CC2CCC2)cc1F ZINC000816667614 627823245 /nfs/dbraw/zinc/82/32/45/627823245.db2.gz RLMBYAPWZMESMX-INIZCTEOSA-N 0 0 306.425 3.283 20 10 DGCDRN Cc1cc(C(=O)N2CCO[C@@H]3C[C@@H]32)c(C)n1-c1ccccc1C ZINC000816896914 627837605 /nfs/dbraw/zinc/83/76/05/627837605.db2.gz UUHYVYKPWJROFB-ZWKOTPCHSA-N 0 0 310.397 3.016 20 10 DGCDRN CS[C@H](C)CNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840334444 627856057 /nfs/dbraw/zinc/85/60/57/627856057.db2.gz NHYVXGIZNXBWEW-ZIAGYGMSSA-N 0 0 323.506 3.043 20 10 DGCDRN CC[C@@H]1CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000817126384 627858430 /nfs/dbraw/zinc/85/84/30/627858430.db2.gz ZUMOSLXRECOCGF-TXEJJXNPSA-N 0 0 324.377 3.006 20 10 DGCDRN CC[C@@H]1C[C@@H](NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000817165089 627860973 /nfs/dbraw/zinc/86/09/73/627860973.db2.gz JIZWTKRUQUUMAT-UKPHBRMFSA-N 0 0 319.449 3.070 20 10 DGCDRN COc1cc2c(c(OC)c1)N(Cc1nn(C)cc1Cl)CCC2 ZINC000817276812 627876105 /nfs/dbraw/zinc/87/61/05/627876105.db2.gz PWLVXBQPJZSFPU-UHFFFAOYSA-N 0 0 321.808 3.044 20 10 DGCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1nnc(C)o1 ZINC000817299345 627879713 /nfs/dbraw/zinc/87/97/13/627879713.db2.gz YMTBVQSEOONYFL-AWEZNQCLSA-N 0 0 301.390 3.222 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H](CCO)CC1 ZINC000817418789 627897686 /nfs/dbraw/zinc/89/76/86/627897686.db2.gz GMAJLIIUWYJBNW-NSHDSACASA-N 0 0 301.789 3.169 20 10 DGCDRN CC(C)n1cc(C(C)(C)NCc2ccc(N(C)C)c(F)c2)nn1 ZINC000817419714 627898098 /nfs/dbraw/zinc/89/80/98/627898098.db2.gz KCVYFXSKZMQPKJ-UHFFFAOYSA-N 0 0 319.428 3.089 20 10 DGCDRN CCCc1[nH]ccc1C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000817550487 627918505 /nfs/dbraw/zinc/91/85/05/627918505.db2.gz VYFIUOXAEOSNAG-LLVKDONJSA-N 0 0 302.374 3.172 20 10 DGCDRN CCCc1[nH]ccc1C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000817550488 627918541 /nfs/dbraw/zinc/91/85/41/627918541.db2.gz VYFIUOXAEOSNAG-NSHDSACASA-N 0 0 302.374 3.172 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cc(C)nc(C)c2)c1 ZINC000817589412 627927271 /nfs/dbraw/zinc/92/72/71/627927271.db2.gz NMTXHDIGKCHGRK-CYBMUJFWSA-N 0 0 314.385 3.041 20 10 DGCDRN C[C@@H]([NH2+]C[C@@H]1CC12CCSCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817589213 627927381 /nfs/dbraw/zinc/92/73/81/627927381.db2.gz MGWIFUDGPBCRGK-NEPJUHHUSA-N 0 0 322.430 3.484 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@H](C2CCCC2)C1 ZINC000817636844 627932247 /nfs/dbraw/zinc/93/22/47/627932247.db2.gz TZYPLKDCBOFVJW-LYASGUKUSA-N 0 0 301.386 3.150 20 10 DGCDRN Cc1cc(OCC(=O)Oc2ccc3c(c2)c(C)c(C)n3C)no1 ZINC000817761009 627946769 /nfs/dbraw/zinc/94/67/69/627946769.db2.gz JJZQERJCOWPRLY-UHFFFAOYSA-N 0 0 314.341 3.076 20 10 DGCDRN Cc1noc(CCC(=O)Oc2ccc3c(c2)c(C)c(C)n3C)n1 ZINC000817762414 627947341 /nfs/dbraw/zinc/94/73/41/627947341.db2.gz VEAGIQWXGFPOQG-UHFFFAOYSA-N 0 0 313.357 3.025 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)CCOCC(F)F)cc12 ZINC000817762358 627947492 /nfs/dbraw/zinc/94/74/92/627947492.db2.gz UXOJHVJPDUKEGQ-UHFFFAOYSA-N 0 0 311.328 3.372 20 10 DGCDRN Cc1c(C)n(C)c2ccc(OC(=O)CCc3ncccn3)cc12 ZINC000817762337 627947533 /nfs/dbraw/zinc/94/75/33/627947533.db2.gz SNZCWMDYQKJLHU-UHFFFAOYSA-N 0 0 309.369 3.123 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)cc1F ZINC000817881424 627952750 /nfs/dbraw/zinc/95/27/50/627952750.db2.gz RRPAVWBKWIJEAY-UKRRQHHQSA-N 0 0 322.424 3.357 20 10 DGCDRN CCCCCNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817902962 627957220 /nfs/dbraw/zinc/95/72/20/627957220.db2.gz CNFYAVBMUMXMTI-UHFFFAOYSA-N 0 0 303.431 3.236 20 10 DGCDRN CN(CCC1CC1)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817998150 627984743 /nfs/dbraw/zinc/98/47/43/627984743.db2.gz FGXQRMCQXZOJGR-UHFFFAOYSA-N 0 0 315.442 3.188 20 10 DGCDRN C[C@@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1c([O-])cccc1F ZINC000926959315 627989658 /nfs/dbraw/zinc/98/96/58/627989658.db2.gz RHONCEPLKLKZMH-BXKDBHETSA-N 0 0 308.319 3.065 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1ccc(F)cc1[O-] ZINC000927055854 628003317 /nfs/dbraw/zinc/00/33/17/628003317.db2.gz HRLGVFGQGYMCIF-DLKVLKDVSA-N 0 0 309.381 3.255 20 10 DGCDRN CCn1c([C@@H]2CCCS2)nnc1N(C)Cc1ccccc1O ZINC000818198151 628003592 /nfs/dbraw/zinc/00/35/92/628003592.db2.gz NSKJZAZKJNJVAR-AWEZNQCLSA-N 0 0 318.446 3.208 20 10 DGCDRN C[C@H]([NH2+][C@H]1CC12CC2)c1cc(Br)cc(F)c1[O-] ZINC000818355894 628017638 /nfs/dbraw/zinc/01/76/38/628017638.db2.gz KYMRFEMVHOXJFZ-CPCISQLKSA-N 0 0 300.171 3.497 20 10 DGCDRN COC(=O)c1cnc([C@H](C)N[C@@H](C)c2cc(C)ccc2O)s1 ZINC000818357296 628018271 /nfs/dbraw/zinc/01/82/71/628018271.db2.gz YLMVHZQZPDLTQN-QWRGUYRKSA-N 0 0 320.414 3.356 20 10 DGCDRN Cc1cc(C(=O)NCc2cc(C)ccn2)c(C)n1-c1ccccn1 ZINC000818435403 628023131 /nfs/dbraw/zinc/02/31/31/628023131.db2.gz WSQPDHWJIPYKCE-UHFFFAOYSA-N 0 0 320.396 3.123 20 10 DGCDRN C[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1O)c1cc(F)cc(F)c1[O-] ZINC000927139248 628024535 /nfs/dbraw/zinc/02/45/35/628024535.db2.gz JYBYVRCGTINYCZ-HKJPBSJPSA-N 0 0 319.351 3.369 20 10 DGCDRN C[C@H]([NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000927157669 628028655 /nfs/dbraw/zinc/02/86/55/628028655.db2.gz QPYJBEJEIMCSMQ-IYJAJMOOSA-N 0 0 315.388 3.275 20 10 DGCDRN CC[C@H](C(=O)NCCc1ccc(N)cc1)c1ccc(F)cc1 ZINC000818544829 628033458 /nfs/dbraw/zinc/03/34/58/628033458.db2.gz RHHIDIYOCQYVBG-KRWDZBQOSA-N 0 0 300.377 3.260 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])cc1 ZINC000818631646 628045596 /nfs/dbraw/zinc/04/55/96/628045596.db2.gz MBZGLEMQJZAWCP-YOEHRIQHSA-N 0 0 304.434 3.218 20 10 DGCDRN CC(C)C[C@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000818629946 628045633 /nfs/dbraw/zinc/04/56/33/628045633.db2.gz DWVAKRXSUBFBFX-SQRWCISFSA-N 0 0 304.434 3.102 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NCC[C@@H]2C[C@H]2C2CC2)cc1 ZINC000927408298 628062573 /nfs/dbraw/zinc/06/25/73/628062573.db2.gz GAAHCRCXCMLZSQ-OCCSQVGLSA-N 0 0 300.362 3.015 20 10 DGCDRN CC(C)c1cccc(N2C(=O)CN(Cc3ccccc3O)C2=O)c1 ZINC000819009410 628076851 /nfs/dbraw/zinc/07/68/51/628076851.db2.gz NNDJQTXOYUWKFW-UHFFFAOYSA-N 0 0 324.380 3.484 20 10 DGCDRN CC[C@@H](c1ccccc1)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819166363 628103700 /nfs/dbraw/zinc/10/37/00/628103700.db2.gz VAMMTAIEMLCQOG-INIZCTEOSA-N 0 0 324.380 3.308 20 10 DGCDRN Cc1cccc(OC[C@@H](O)CNc2ccccc2OCCF)c1 ZINC000819488165 628162999 /nfs/dbraw/zinc/16/29/99/628162999.db2.gz KGYWQZFVSGYTFS-HNNXBMFYSA-N 0 0 319.376 3.195 20 10 DGCDRN O=C(NCc1cccc(Br)c1O)C(F)=C1CCC1 ZINC000819515180 628165801 /nfs/dbraw/zinc/16/58/01/628165801.db2.gz VRINFUNWROHRDK-UHFFFAOYSA-N 0 0 314.154 3.178 20 10 DGCDRN COCCC1CN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000819568272 628170298 /nfs/dbraw/zinc/17/02/98/628170298.db2.gz PWZFDGYBZAWHBU-UHFFFAOYSA-N 0 0 312.413 3.203 20 10 DGCDRN COc1ccc(N2CC[C@H](CNC(=O)C3CC(C)(C)C3)C2)cc1 ZINC000819590601 628172020 /nfs/dbraw/zinc/17/20/20/628172020.db2.gz LGSRRKJYRKJPGB-CQSZACIVSA-N 0 0 316.445 3.074 20 10 DGCDRN CC[C@@H](OC1CCCCC1)C(=O)NCc1c(O)cccc1F ZINC000928706587 628179607 /nfs/dbraw/zinc/17/96/07/628179607.db2.gz XSXYLEBEQUJHFF-MRXNPFEDSA-N 0 0 309.381 3.275 20 10 DGCDRN CCC[C@@H](C)CC(=O)N(CC(=O)OCC)Cc1ccccc1O ZINC000819696110 628180439 /nfs/dbraw/zinc/18/04/39/628180439.db2.gz LPPVVJRUEAJKJE-CQSZACIVSA-N 0 0 321.417 3.110 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cnn(C2CCCC2)c1 ZINC000928793180 628189786 /nfs/dbraw/zinc/18/97/86/628189786.db2.gz KNRQPEXHBWRDAN-VURMDHGXSA-N 0 0 313.357 3.061 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000819798120 628190956 /nfs/dbraw/zinc/19/09/56/628190956.db2.gz SRDUAUSAVXXJMJ-HBXAWUERSA-N 0 0 301.386 3.196 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNc3nc(C(C)C)no3)C2)cc1 ZINC000819933984 628201310 /nfs/dbraw/zinc/20/13/10/628201310.db2.gz AZEPCMRDYBTHTA-ZDUSSCGKSA-N 0 0 316.405 3.140 20 10 DGCDRN CCc1nsc(NC[C@@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000819937054 628202068 /nfs/dbraw/zinc/20/20/68/628202068.db2.gz YXZKYCAPEZTQIX-LBPRGKRZSA-N 0 0 318.446 3.048 20 10 DGCDRN COc1cc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)ccn1 ZINC000819998977 628210934 /nfs/dbraw/zinc/21/09/34/628210934.db2.gz LXKUMOMPFKYCCP-UHFFFAOYSA-N 0 0 322.368 3.145 20 10 DGCDRN CCN(CC)c1ccc(CN(C)Cc2nnc(OC)s2)cc1 ZINC000929183993 628221859 /nfs/dbraw/zinc/22/18/59/628221859.db2.gz HMUGNFANDNDODR-UHFFFAOYSA-N 0 0 320.462 3.025 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H]3CCC[C@H]32)cc1 ZINC000820295008 628243457 /nfs/dbraw/zinc/24/34/57/628243457.db2.gz GDARMZACFKJJOH-BXUZGUMPSA-N 0 0 300.362 3.254 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCC[C@H]1CC1(Cl)Cl ZINC000820450604 628259841 /nfs/dbraw/zinc/25/98/41/628259841.db2.gz LCJAJQJMDMNQQV-GQPNGRKGSA-N 0 0 317.168 3.238 20 10 DGCDRN CCS[C@H]1CCC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820580432 628274253 /nfs/dbraw/zinc/27/42/53/628274253.db2.gz AFHSBKNMTVYCPL-STQMWFEESA-N 0 0 320.418 3.253 20 10 DGCDRN CCS[C@@H]1CCC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820580429 628274539 /nfs/dbraw/zinc/27/45/39/628274539.db2.gz AFHSBKNMTVYCPL-CHWSQXEVSA-N 0 0 320.418 3.253 20 10 DGCDRN CCc1nocc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000821032758 628328771 /nfs/dbraw/zinc/32/87/71/628328771.db2.gz GJUOEDYPJIESLV-UHFFFAOYSA-N 0 0 313.401 3.108 20 10 DGCDRN CC(C)(C)Oc1cccc(C(=O)NCc2ccc(O)c(O)c2)c1 ZINC000821070855 628334124 /nfs/dbraw/zinc/33/41/24/628334124.db2.gz OWWKZDKEVHLAHY-UHFFFAOYSA-N 0 0 315.369 3.205 20 10 DGCDRN C[C@@H](CNC(=O)N(C)Cc1ccccc1O)CC(F)(F)F ZINC000840433337 628348180 /nfs/dbraw/zinc/34/81/80/628348180.db2.gz PZZJNLCAOLVTHT-SNVBAGLBSA-N 0 0 304.312 3.122 20 10 DGCDRN CS[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(C)(C)C ZINC000821851582 628403634 /nfs/dbraw/zinc/40/36/34/628403634.db2.gz CVVSGHKRYPMVHW-LBPRGKRZSA-N 0 0 322.434 3.357 20 10 DGCDRN Cc1cc(O)c(C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1C ZINC000822210776 628429923 /nfs/dbraw/zinc/42/99/23/628429923.db2.gz QQUUQBOETKRETG-CYBMUJFWSA-N 0 0 323.400 3.040 20 10 DGCDRN CC[C@](C)(C(=O)OC)[N@@H+](Cc1cccc(C)c1O)CC1CC1 ZINC000822504329 628458108 /nfs/dbraw/zinc/45/81/08/628458108.db2.gz RZBQRXNIVNQNLB-GOSISDBHSA-N 0 0 305.418 3.254 20 10 DGCDRN CCOC(=O)CN(Cc1csc(C)c1)Cc1ccccc1O ZINC000822511848 628459469 /nfs/dbraw/zinc/45/94/69/628459469.db2.gz NSWVSYUBPDNZFO-UHFFFAOYSA-N 0 0 319.426 3.327 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)CCCC(=O)C2CC2)cc1 ZINC000822596300 628469322 /nfs/dbraw/zinc/46/93/22/628469322.db2.gz RKUPEOIHEYUJCI-UHFFFAOYSA-N 0 0 316.445 3.298 20 10 DGCDRN CSC[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000823122558 628528449 /nfs/dbraw/zinc/52/84/49/628528449.db2.gz UUECLHQNNIAWJH-LLVKDONJSA-N 0 0 320.418 3.064 20 10 DGCDRN Cc1cnccc1/C=C/C(=O)NCCCSc1nccs1 ZINC000823298233 628547773 /nfs/dbraw/zinc/54/77/73/628547773.db2.gz OSEFGNBZTOPLEV-ONEGZZNKSA-N 0 0 319.455 3.158 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC[C@H]1C ZINC000840480559 628575180 /nfs/dbraw/zinc/57/51/80/628575180.db2.gz WXNSHCZFFFMUNR-LSDHHAIUSA-N 0 0 303.450 3.186 20 10 DGCDRN C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)CC(F)(F)F ZINC000823587444 628577140 /nfs/dbraw/zinc/57/71/40/628577140.db2.gz MPMPYQDSFIKMJK-QMMMGPOBSA-N 0 0 316.283 3.167 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC(C)(C)C1 ZINC000840481175 628580972 /nfs/dbraw/zinc/58/09/72/628580972.db2.gz BYZIVAFNLNPIKT-AWEZNQCLSA-N 0 0 303.450 3.043 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC=C(F)C1 ZINC000840481524 628584846 /nfs/dbraw/zinc/58/48/46/628584846.db2.gz KCTYSIALTKYUIA-CQSZACIVSA-N 0 0 319.424 3.261 20 10 DGCDRN c1cc(-c2nn[nH]n2)ccc1COc1ccc(N2CCCC2)cc1 ZINC000823743085 628593186 /nfs/dbraw/zinc/59/31/86/628593186.db2.gz SLILIVBXXMEKAL-UHFFFAOYSA-N 0 0 321.384 3.046 20 10 DGCDRN CC[C@H]1CCN1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840483301 628606353 /nfs/dbraw/zinc/60/63/53/628606353.db2.gz JGQOBPAWVHOQBI-ZBFHGGJFSA-N 0 0 303.450 3.186 20 10 DGCDRN CC[C@@H]1CCN1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840483292 628606410 /nfs/dbraw/zinc/60/64/10/628606410.db2.gz JGQOBPAWVHOQBI-GDBMZVCRSA-N 0 0 303.450 3.186 20 10 DGCDRN CS[C@@H]1CCCC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000824175434 628634575 /nfs/dbraw/zinc/63/45/75/628634575.db2.gz XCLQACYLCJWZGO-CHWSQXEVSA-N 0 0 320.418 3.253 20 10 DGCDRN CCC1(NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000840486256 628648201 /nfs/dbraw/zinc/64/82/01/628648201.db2.gz YYHBQRJTUPKXMG-CQSZACIVSA-N 0 0 303.450 3.234 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1cccnc1 ZINC000840487725 628663884 /nfs/dbraw/zinc/66/38/84/628663884.db2.gz HSDZJDVMEFRJBA-AWEZNQCLSA-N 0 0 312.417 3.209 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)[C@H](C)C1CC1 ZINC000840488105 628666391 /nfs/dbraw/zinc/66/63/91/628666391.db2.gz JIOFOASOPVYSFG-LSDHHAIUSA-N 0 0 317.477 3.432 20 10 DGCDRN Cc1c(NCc2cc(C)c(C)cc2O)cnn1C1CCOCC1 ZINC000824515061 628666406 /nfs/dbraw/zinc/66/64/06/628666406.db2.gz DERVXKKUMURUJD-UHFFFAOYSA-N 0 0 315.417 3.478 20 10 DGCDRN CO[C@H](C[NH2+]Cc1cccc(Cl)c1[O-])Cc1ccccc1 ZINC000824590193 628674459 /nfs/dbraw/zinc/67/44/59/628674459.db2.gz LXVOYTPXQPJRBO-HNNXBMFYSA-N 0 0 305.805 3.393 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)CC1CC1 ZINC000840490265 628693340 /nfs/dbraw/zinc/69/33/40/628693340.db2.gz YSOQZUAQYUXOME-AWEZNQCLSA-N 0 0 303.450 3.043 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000824844792 628699225 /nfs/dbraw/zinc/69/92/25/628699225.db2.gz CTYJYECXPKGJCG-LRDDRELGSA-N 0 0 313.800 3.071 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)cc1 ZINC000824851556 628700820 /nfs/dbraw/zinc/70/08/20/628700820.db2.gz GJPDFXZBSIXAEQ-KGYLQXTDSA-N 0 0 300.362 3.015 20 10 DGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCO[C@H](c2ccncc2)C1 ZINC000824955789 628710623 /nfs/dbraw/zinc/71/06/23/628710623.db2.gz ZFQMYHTZHNFHJH-HOCLYGCPSA-N 0 0 318.804 3.451 20 10 DGCDRN CCOCc1cc(CN[C@@H](C)c2nccn2CC)ccc1OC ZINC000825005380 628715514 /nfs/dbraw/zinc/71/55/14/628715514.db2.gz JBTYJUULPZEYOH-AWEZNQCLSA-N 0 0 317.433 3.299 20 10 DGCDRN COCCN(Cc1cc(OC)c(OC)cc1O)c1ccccc1 ZINC000825035076 628719058 /nfs/dbraw/zinc/71/90/58/628719058.db2.gz CMZLHKNRHOPFFY-UHFFFAOYSA-N 0 0 317.385 3.062 20 10 DGCDRN CCCc1ncc(CNCc2ccc(OC)c(COCC)c2)o1 ZINC000825084994 628725547 /nfs/dbraw/zinc/72/55/47/628725547.db2.gz ICFOFUWVSUTREI-UHFFFAOYSA-N 0 0 318.417 3.462 20 10 DGCDRN CCN(CC)c1ccc(CN(CC(F)F)C[C@@H](C)O)cc1F ZINC000825099470 628727557 /nfs/dbraw/zinc/72/75/57/628727557.db2.gz ZZHHBLJQRCPNNK-GFCCVEGCSA-N 0 0 318.383 3.120 20 10 DGCDRN Oc1cc2c(cc1CN1CC3(CCC3)[C@H]1c1ccco1)OCO2 ZINC000825104035 628728233 /nfs/dbraw/zinc/72/82/33/628728233.db2.gz LATTWRMOVYPXPY-QGZVFWFLSA-N 0 0 313.353 3.441 20 10 DGCDRN CC(C)(CN1CCCC1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000825326951 628749951 /nfs/dbraw/zinc/74/99/51/628749951.db2.gz PZCMXSWOEOYOMA-UHFFFAOYSA-N 0 0 300.805 3.149 20 10 DGCDRN CCOc1ccc(N(C)Cc2cc(C(F)(F)F)nn2C)cc1 ZINC000825468094 628764660 /nfs/dbraw/zinc/76/46/60/628764660.db2.gz FGFBKGZUAKIVEG-UHFFFAOYSA-N 0 0 313.323 3.474 20 10 DGCDRN C/C(=C\C(=O)N1CC2(CCC2)c2c1cccc2F)c1cnccn1 ZINC000825589006 628775716 /nfs/dbraw/zinc/77/57/16/628775716.db2.gz RMUJDSFSMFDWPS-JLHYYAGUSA-N 0 0 323.371 3.488 20 10 DGCDRN C[C@@H]1CN(Cc2ccc(Br)cc2O)[C@@H](C)[C@H](C)O1 ZINC000825634627 628779884 /nfs/dbraw/zinc/77/98/84/628779884.db2.gz PAXHMMUAVVHZFN-VWYCJHECSA-N 0 0 314.223 3.152 20 10 DGCDRN C/C(=C/C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000825730516 628792115 /nfs/dbraw/zinc/79/21/15/628792115.db2.gz YFDKJLSQPPHYOW-GDNBJRDFSA-N 0 0 302.418 3.140 20 10 DGCDRN CCc1cccc(C(=O)NCCCSc2nccs2)n1 ZINC000825823579 628800613 /nfs/dbraw/zinc/80/06/13/628800613.db2.gz XSUIYKDMNSEWLM-UHFFFAOYSA-N 0 0 307.444 3.013 20 10 DGCDRN Cc1ccc(F)c(CC(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000825873796 628805983 /nfs/dbraw/zinc/80/59/83/628805983.db2.gz ORBXTYKVTGIZDE-UHFFFAOYSA-N 0 0 314.404 3.367 20 10 DGCDRN CN(Cc1ccccc1O)c1ccc(C(=O)OC(C)(C)C)cn1 ZINC000825880665 628806381 /nfs/dbraw/zinc/80/63/81/628806381.db2.gz DXRBSOUFTRLTAO-UHFFFAOYSA-N 0 0 314.385 3.379 20 10 DGCDRN C[C@H](NC(=O)N[C@@H]1CCS[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000826532603 628856849 /nfs/dbraw/zinc/85/68/49/628856849.db2.gz WJIMSYFMCWUCHN-YWPYICTPSA-N 0 0 307.463 3.007 20 10 DGCDRN COc1ccc(N2CCC(Nc3cccc(OC)n3)CC2)cc1 ZINC000826769793 628884908 /nfs/dbraw/zinc/88/49/08/628884908.db2.gz RNVSIBUZSFVKAF-UHFFFAOYSA-N 0 0 313.401 3.180 20 10 DGCDRN C[C@]1(c2ccccc2)CCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000826826407 628891975 /nfs/dbraw/zinc/89/19/75/628891975.db2.gz ZHWZXZZRHYBRJF-SFHVURJKSA-N 0 0 315.344 3.041 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1F ZINC000826940323 628905807 /nfs/dbraw/zinc/90/58/07/628905807.db2.gz CSLGDIMYFZQUNS-FICVDOATSA-N 0 0 304.409 3.334 20 10 DGCDRN COc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](O)c3ccccc32)c1O ZINC000827179387 628932716 /nfs/dbraw/zinc/93/27/16/628932716.db2.gz WLPYBWTVORZCEQ-GJZGRUSLSA-N 0 0 319.788 3.322 20 10 DGCDRN C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)C1=CC(=O)CS1 ZINC000827223502 628938446 /nfs/dbraw/zinc/93/84/46/628938446.db2.gz HXOFNELFBNMPJN-XHBSWPGZSA-N 0 0 317.410 3.444 20 10 DGCDRN CC1(C(=O)NCc2c(O)ccc3c2CCCC3)CCC(=O)CC1 ZINC000827322887 628948906 /nfs/dbraw/zinc/94/89/06/628948906.db2.gz BHHUIJYHYCRQIU-UHFFFAOYSA-N 0 0 315.413 3.037 20 10 DGCDRN COc1ccc(N(C)C[C@H](O)[C@@H](C)c2ccccc2)cc1OC ZINC000827491298 628963639 /nfs/dbraw/zinc/96/36/39/628963639.db2.gz JUWBVJIBAFNVKL-YOEHRIQHSA-N 0 0 315.413 3.305 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000827630130 628977881 /nfs/dbraw/zinc/97/78/81/628977881.db2.gz FHNRHDCCYXMVMM-BZUAXINKSA-N 0 0 301.434 3.083 20 10 DGCDRN CN(C)c1ccc(/C=C\CN2CCOc3ccc(O)cc3C2)cc1 ZINC000827655656 628980550 /nfs/dbraw/zinc/98/05/50/628980550.db2.gz ADHSAJWAVSCYHB-ARJAWSKDSA-N 0 0 324.424 3.366 20 10 DGCDRN C[C@@H](O)[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccccc1 ZINC000827855460 628997547 /nfs/dbraw/zinc/99/75/47/628997547.db2.gz DIMBBWYAQSXKTH-QLJPJBMISA-N 0 0 309.768 3.396 20 10 DGCDRN Cc1cc2c(cc1C)O[C@H](C(=O)N[C@H](C)c1ccccc1O)C2 ZINC000827937568 629005402 /nfs/dbraw/zinc/00/54/02/629005402.db2.gz ZKGMZCQWAOOJMW-ACJLOTCBSA-N 0 0 311.381 3.190 20 10 DGCDRN CCSc1cccnc1C(=O)N[C@H](C)c1ccccc1O ZINC000827952292 629006944 /nfs/dbraw/zinc/00/69/44/629006944.db2.gz MRDHBBYNDXXYLB-LLVKDONJSA-N 0 0 302.399 3.390 20 10 DGCDRN COc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000827960145 629007951 /nfs/dbraw/zinc/00/79/51/629007951.db2.gz KFQVXMLKPATZCW-AFAVFJNCSA-N 0 0 311.381 3.382 20 10 DGCDRN Cc1ccccc1CO[C@@H](C)C(=O)N[C@H](C)c1ccccc1O ZINC000827957649 629008109 /nfs/dbraw/zinc/00/81/09/629008109.db2.gz XJVCOHMLOPJWMB-CABCVRRESA-N 0 0 313.397 3.483 20 10 DGCDRN COC1(C(=O)N[C@@H](C)c2ccccc2O)CCC(F)(F)CC1 ZINC000827960161 629008401 /nfs/dbraw/zinc/00/84/01/629008401.db2.gz KMAYAHCRWDVMRO-NSHDSACASA-N 0 0 313.344 3.164 20 10 DGCDRN COc1cccc2c1[C@@H](C(=O)N[C@@H](C)c1ccccc1O)CC2 ZINC000827964726 629009400 /nfs/dbraw/zinc/00/94/00/629009400.db2.gz SLFQZZCCWSLXKG-WFASDCNBSA-N 0 0 311.381 3.308 20 10 DGCDRN C[C@H](NC(=O)c1ccc2c(c1)NC(=O)C2(C)C)c1ccccc1O ZINC000827964874 629009441 /nfs/dbraw/zinc/00/94/41/629009441.db2.gz YNXXWTUWPCQHQO-NSHDSACASA-N 0 0 324.380 3.113 20 10 DGCDRN Cc1noc(C)c1[C@@H](C)CC(=O)N[C@@H](C)c1ccccc1O ZINC000827973085 629009702 /nfs/dbraw/zinc/00/97/02/629009702.db2.gz IDUGTBSOADJPEN-QWRGUYRKSA-N 0 0 302.374 3.368 20 10 DGCDRN COc1ccc(C[C@@H](C)C(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000827972844 629009719 /nfs/dbraw/zinc/00/97/19/629009719.db2.gz ARALKXCGQCIIOQ-KGLIPLIRSA-N 0 0 313.397 3.457 20 10 DGCDRN C[C@H](NC(=O)C[C@@H]1OCCc2ccccc21)c1ccccc1O ZINC000827978404 629010371 /nfs/dbraw/zinc/01/03/71/629010371.db2.gz RQSNNWLPAZPCAO-UGSOOPFHSA-N 0 0 311.381 3.274 20 10 DGCDRN CCc1c(C(=O)N[C@@H](C)c2ccccc2O)[nH]c(C)c1C(C)=O ZINC000827982500 629011056 /nfs/dbraw/zinc/01/10/56/629011056.db2.gz WGGJILIEQDHZNJ-JTQLQIEISA-N 0 0 314.385 3.285 20 10 DGCDRN COC(=O)c1cnc(Sc2ccnc(C(C)(C)C)n2)s1 ZINC000828428955 629053163 /nfs/dbraw/zinc/05/31/63/629053163.db2.gz PMEYQQJDLFZTMF-UHFFFAOYSA-N 0 0 309.416 3.168 20 10 DGCDRN Cc1cc(CN2CCOCC23CC3)ccc1N1CCCCC1 ZINC000829524455 629165979 /nfs/dbraw/zinc/16/59/79/629165979.db2.gz LEFZAZMYYUQAMQ-UHFFFAOYSA-N 0 0 300.446 3.350 20 10 DGCDRN Cc1ccccc1C[C@@H]1CCCN1C(=O)Cc1ccc(N)cc1 ZINC000829660802 629179876 /nfs/dbraw/zinc/17/98/76/629179876.db2.gz FHFCYSXNOCALPB-IBGZPJMESA-N 0 0 308.425 3.353 20 10 DGCDRN COCc1ccc(CSc2ncc(C(=O)OC)s2)cc1 ZINC000829677490 629181419 /nfs/dbraw/zinc/18/14/19/629181419.db2.gz AAIYSIQJUCIBFY-UHFFFAOYSA-N 0 0 309.412 3.368 20 10 DGCDRN COC(=O)c1cnc(SCCN(C)c2ccccc2)s1 ZINC000829681202 629182067 /nfs/dbraw/zinc/18/20/67/629182067.db2.gz QAUCZTVRTXYMSK-UHFFFAOYSA-N 0 0 308.428 3.158 20 10 DGCDRN C[C@@H](NC(=O)OC1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000830200896 629237803 /nfs/dbraw/zinc/23/78/03/629237803.db2.gz YLFFVMKZZCUSNZ-CQSZACIVSA-N 0 0 318.417 3.253 20 10 DGCDRN O=C(OC1CCCC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000830599632 629287396 /nfs/dbraw/zinc/28/73/96/629287396.db2.gz UKNKMQZBJBQLIO-MRXNPFEDSA-N 0 0 319.401 3.452 20 10 DGCDRN CC(=O)c1cc(F)cc(Cn2cnc3c2C[C@@H](C)[C@H](C)C3)c1O ZINC000830919317 629321004 /nfs/dbraw/zinc/32/10/04/629321004.db2.gz ZLVPASHDTSZCBX-GHMZBOCLSA-N 0 0 316.376 3.350 20 10 DGCDRN Cc1csc(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000831140354 629343136 /nfs/dbraw/zinc/34/31/36/629343136.db2.gz JNUTUDIYBMCKSK-GFCCVEGCSA-N 0 0 324.471 3.162 20 10 DGCDRN CC(C)(C)C[C@@H](NC(=O)Cc1ccc(N)cc1)C(F)(F)F ZINC000831529009 629387002 /nfs/dbraw/zinc/38/70/02/629387002.db2.gz ZEDXZTYISUZHDL-GFCCVEGCSA-N 0 0 302.340 3.295 20 10 DGCDRN CC1(C)CN(C(=O)Cc2ccc(N)cc2)CC[C@@H]1C(F)(F)F ZINC000832173261 629448326 /nfs/dbraw/zinc/44/83/26/629448326.db2.gz PWZKIWHOFCLLAS-ZDUSSCGKSA-N 0 0 314.351 3.248 20 10 DGCDRN C[C@H](Cc1ccco1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000832437283 629480279 /nfs/dbraw/zinc/48/02/79/629480279.db2.gz YPKIBGPDXZRLBI-ZIAGYGMSSA-N 0 0 300.402 3.402 20 10 DGCDRN Nc1ccc(CCNC(=O)CCCCC(=O)c2ccccc2)cc1 ZINC000832659114 629502817 /nfs/dbraw/zinc/50/28/17/629502817.db2.gz MOYZCKAFLZMMEM-UHFFFAOYSA-N 0 0 324.424 3.371 20 10 DGCDRN O=C(NCC[C@H]1CCc2ccccc21)c1c(F)ccc(O)c1O ZINC000833398751 629597977 /nfs/dbraw/zinc/59/79/77/629597977.db2.gz KKXDJVJJAOTBPN-GFCCVEGCSA-N 0 0 315.344 3.087 20 10 DGCDRN CC(C)[N@H+](Cc1ccc(C(=O)[O-])[nH]1)Cc1ccc(N(C)C)cc1 ZINC000833496320 629612247 /nfs/dbraw/zinc/61/22/47/629612247.db2.gz GJJFVFCUIAVJQA-UHFFFAOYSA-N 0 0 315.417 3.190 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C\c1cc2cccnc2o1 ZINC000834408543 629706595 /nfs/dbraw/zinc/70/65/95/629706595.db2.gz LRGUXEQXZVDFQG-RAXLEYEMSA-N 0 0 313.382 3.284 20 10 DGCDRN Cn1ccnc1[C@H](N[C@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000834503244 629718395 /nfs/dbraw/zinc/71/83/95/629718395.db2.gz XBJVMMGICJKZOV-QFBILLFUSA-N 0 0 319.408 3.492 20 10 DGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCSC2(CCC2)C1 ZINC000834734146 629769101 /nfs/dbraw/zinc/76/91/01/629769101.db2.gz BXZQJFIRERTNMD-DXTPNHAXSA-N 0 0 319.426 3.046 20 10 DGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCC2CCOCC2)c1 ZINC000834818518 629783642 /nfs/dbraw/zinc/78/36/42/629783642.db2.gz MYSWTACMYDXSMW-ZDUSSCGKSA-N 0 0 321.417 3.036 20 10 DGCDRN CO[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])Cc1ccccc1 ZINC000834856023 629791604 /nfs/dbraw/zinc/79/16/04/629791604.db2.gz KFIHBPJMJXCOAT-CZUORRHYSA-N 0 0 303.377 3.440 20 10 DGCDRN CC(C)c1nnc(CN[C@@H]2C[C@H](C)c3c2c(O)ccc3F)[nH]1 ZINC000834871146 629793954 /nfs/dbraw/zinc/79/39/54/629793954.db2.gz MBBOYADVMIVEOT-GXSJLCMTSA-N 0 0 304.369 3.111 20 10 DGCDRN CC(C)[C@H]1C[C@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCO1 ZINC000834884772 629796861 /nfs/dbraw/zinc/79/68/61/629796861.db2.gz CTJZAVHGVWJUFT-OGHNNQOOSA-N 0 0 322.405 3.402 20 10 DGCDRN COCC(COC)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000834893186 629799919 /nfs/dbraw/zinc/79/99/19/629799919.db2.gz TZBXVWJWCRVAKK-QMMMGPOBSA-N 0 0 308.205 3.011 20 10 DGCDRN C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)c1ccc(F)cc1[O-] ZINC000834903100 629804059 /nfs/dbraw/zinc/80/40/59/629804059.db2.gz IGRUHGSZENKZNQ-RVZJWNSFSA-N 0 0 316.376 3.497 20 10 DGCDRN C[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccc(Cl)c(Cl)c1[O-] ZINC000834908880 629805619 /nfs/dbraw/zinc/80/56/19/629805619.db2.gz MQDWHOMKZQMYPQ-CLAHSXSESA-N 0 0 317.216 3.018 20 10 DGCDRN CCC[C@](C)(NC/C=C/c1ccc(N(C)C)cc1)C(=O)OC ZINC000835033862 629829862 /nfs/dbraw/zinc/82/98/62/629829862.db2.gz YEHITAUPFURQDU-DVBCCOPCSA-N 0 0 304.434 3.087 20 10 DGCDRN CN(C)c1nc(CNC/C=C/c2ccc(N(C)C)cc2)cs1 ZINC000835043607 629833646 /nfs/dbraw/zinc/83/36/46/629833646.db2.gz SYPRTVXOTYVXRC-AATRIKPKSA-N 0 0 316.474 3.078 20 10 DGCDRN COC[C@@H](NC/C=C/c1ccc(N(C)C)cc1)c1ccco1 ZINC000835043597 629833658 /nfs/dbraw/zinc/83/36/58/629833658.db2.gz SOOMPSADASYBSF-UKINESCASA-N 0 0 300.402 3.336 20 10 DGCDRN COC[C@@H](C)n1ccc(NC/C=C/c2ccc(N(C)C)cc2)n1 ZINC000835047189 629834401 /nfs/dbraw/zinc/83/44/01/629834401.db2.gz ZZSZCTDNJZKLNO-LLYBFZRZSA-N 0 0 314.433 3.282 20 10 DGCDRN CC(C)n1cnnc1CN(C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835052631 629836888 /nfs/dbraw/zinc/83/68/88/629836888.db2.gz IAPMJYXYKANMGT-VOTSOKGWSA-N 0 0 313.449 3.070 20 10 DGCDRN Cc1ccc(C[C@@H](CO)[NH2+]Cc2cccc(Cl)c2[O-])cc1C ZINC000835072179 629843558 /nfs/dbraw/zinc/84/35/58/629843558.db2.gz CGLPNTUOXIPPRI-INIZCTEOSA-N 0 0 319.832 3.356 20 10 DGCDRN C[C@@H](NC(=O)OCCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000867125891 629947930 /nfs/dbraw/zinc/94/79/30/629947930.db2.gz ORULUQSKBZGJIF-SNVBAGLBSA-N 0 0 304.312 3.492 20 10 DGCDRN CS[C@H](C)COC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000835678487 629981570 /nfs/dbraw/zinc/98/15/70/629981570.db2.gz TUYQYXMWZCTRFK-GFCCVEGCSA-N 0 0 304.415 3.397 20 10 DGCDRN CC1CCN(c2ccc(CNC(=O)NOC3CCC3)cc2)CC1 ZINC000836288984 630094516 /nfs/dbraw/zinc/09/45/16/630094516.db2.gz CPYCEZFZJRUAAB-UHFFFAOYSA-N 0 0 317.433 3.206 20 10 DGCDRN Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)c(C)c2)c(C)c1 ZINC000003076375 630098502 /nfs/dbraw/zinc/09/85/02/630098502.db2.gz KDRUYGHTIBRMSV-UHFFFAOYSA-N 0 0 305.399 3.427 20 10 DGCDRN CC[C@H](C)[C@@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)OC ZINC000836407462 630110797 /nfs/dbraw/zinc/11/07/97/630110797.db2.gz ZXMRPXJRTDCKKJ-JJRVBVJISA-N 0 0 321.465 3.174 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2C[C@H]2C(C)C)c1 ZINC000836621073 630142753 /nfs/dbraw/zinc/14/27/53/630142753.db2.gz JVDIJIITUDWANU-OBJOEFQTSA-N 0 0 306.406 3.053 20 10 DGCDRN COc1ccc(CNC(=O)Nc2c(C)cc(C)nc2C)c(O)c1 ZINC000836630950 630143883 /nfs/dbraw/zinc/14/38/83/630143883.db2.gz CHKKJTUENBTZJA-UHFFFAOYSA-N 0 0 315.373 3.043 20 10 DGCDRN CC[C@H](NC(=O)c1sccc1-n1c(C)ccc1C)[C@@H](C)O ZINC000836860826 630175640 /nfs/dbraw/zinc/17/56/40/630175640.db2.gz NMLKUPLNQSSAOT-OLZOCXBDSA-N 0 0 306.431 3.045 20 10 DGCDRN Cc1ccc(C(=O)NCC[C@]2(C)CC2(Cl)Cl)c(O)c1O ZINC000836910448 630183353 /nfs/dbraw/zinc/18/33/53/630183353.db2.gz YXWSMAZYDJWTSV-CYBMUJFWSA-N 0 0 318.200 3.110 20 10 DGCDRN CC(C)(C)C[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000837168328 630221529 /nfs/dbraw/zinc/22/15/29/630221529.db2.gz UXCGNLYREQUXGO-HZRUHFOJSA-N 0 0 303.402 3.396 20 10 DGCDRN COc1cccc(CNC(=O)[C@]2(C)CC[C@H](C)C2(C)C)c1O ZINC000837483414 630265036 /nfs/dbraw/zinc/26/50/36/630265036.db2.gz ACPYODXXKXPPSQ-SGTLLEGYSA-N 0 0 305.418 3.479 20 10 DGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1CC(C(C)(C)C)C1 ZINC000837519681 630269944 /nfs/dbraw/zinc/26/99/44/630269944.db2.gz CQKHFHNKUFUFIS-XGNXJENSSA-N 0 0 305.418 3.217 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000837625060 630289072 /nfs/dbraw/zinc/28/90/72/630289072.db2.gz HFGCDAIEIQMIKN-NJAFHUGGSA-N 0 0 313.445 3.275 20 10 DGCDRN CCC[C@H]1CCC[C@@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000837831616 630316462 /nfs/dbraw/zinc/31/64/62/630316462.db2.gz HBPPCLHANMBNBA-AAEUAGOBSA-N 0 0 306.358 3.040 20 10 DGCDRN C[C@H](NCc1ccc(N2CCCC2)cc1)c1cc2n(n1)CCC2 ZINC000840713216 630351303 /nfs/dbraw/zinc/35/13/03/630351303.db2.gz LGHGOSHSZSHFRI-HNNXBMFYSA-N 0 0 310.445 3.280 20 10 DGCDRN CCOC(=O)c1ccc(NCc2ccc(N(C)C)cc2C)cn1 ZINC000840878876 630370747 /nfs/dbraw/zinc/37/07/47/630370747.db2.gz KKHCVWXUMYVEEP-UHFFFAOYSA-N 0 0 313.401 3.245 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1CCOC[C@@H]1c1ccco1 ZINC000840915103 630377351 /nfs/dbraw/zinc/37/73/51/630377351.db2.gz KBPWHXDLNKRJMM-QGZVFWFLSA-N 0 0 300.402 3.228 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1cccc(-c2nncn2C)c1 ZINC000840921806 630378772 /nfs/dbraw/zinc/37/87/72/630378772.db2.gz BIPNFYBIYMDIJJ-UHFFFAOYSA-N 0 0 321.428 3.469 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)OCC(F)(F)F ZINC000840929992 630379501 /nfs/dbraw/zinc/37/95/01/630379501.db2.gz FJWHNXURLCKQQD-LLVKDONJSA-N 0 0 318.339 3.281 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNc1cnn(Cc2ccccn2)c1 ZINC000840936067 630380470 /nfs/dbraw/zinc/38/04/70/630380470.db2.gz GEHDTOOWYRXOPO-UHFFFAOYSA-N 0 0 321.428 3.313 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNCc1nccn1CC(C)C ZINC000840936246 630380803 /nfs/dbraw/zinc/38/08/03/630380803.db2.gz HMZRETVQNAQSQM-UHFFFAOYSA-N 0 0 300.450 3.203 20 10 DGCDRN COc1cc(CCO)ccc1NCc1ccc(N(C)C)cc1C ZINC000840940512 630381343 /nfs/dbraw/zinc/38/13/43/630381343.db2.gz DGXVGRGPQXGYOJ-UHFFFAOYSA-N 0 0 314.429 3.217 20 10 DGCDRN COc1cccc(CN([C@H](C)C(=O)OC(C)(C)C)C2CC2)c1O ZINC000840957008 630385039 /nfs/dbraw/zinc/38/50/39/630385039.db2.gz GUCWQLJQJQWDIN-GFCCVEGCSA-N 0 0 321.417 3.095 20 10 DGCDRN COC(=O)[C@H](C)c1cccc(NCc2c(O)cccc2OC)c1 ZINC000840958963 630386273 /nfs/dbraw/zinc/38/62/73/630386273.db2.gz WXJVSXZTDPCWOE-GFCCVEGCSA-N 0 0 315.369 3.289 20 10 DGCDRN CO[C@](C)([C@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F)C1CC1 ZINC000840961119 630387501 /nfs/dbraw/zinc/38/75/01/630387501.db2.gz QRFOYZVOVOKVOF-BJOHPYRUSA-N 0 0 301.789 3.478 20 10 DGCDRN C[C@@H](CC(=O)[O-])[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000840995580 630392417 /nfs/dbraw/zinc/39/24/17/630392417.db2.gz XINXXRDOWNKUNH-HNNXBMFYSA-N 0 0 324.424 3.202 20 10 DGCDRN CN(C)c1ccc(C[NH2+]CCCCC(=O)[O-])c(C(F)(F)F)c1 ZINC000840997353 630392450 /nfs/dbraw/zinc/39/24/50/630392450.db2.gz YQGOJRPBWLUTLT-UHFFFAOYSA-N 0 0 318.339 3.116 20 10 DGCDRN CCOc1ccc(O)c(C[NH2+][C@@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC000840998528 630393286 /nfs/dbraw/zinc/39/32/86/630393286.db2.gz IGQLVUKNXMZIPO-AWEZNQCLSA-N 0 0 309.406 3.160 20 10 DGCDRN CC(C)[N@H+](CC(=O)[O-])Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000840998166 630393288 /nfs/dbraw/zinc/39/32/88/630393288.db2.gz PHQPCJPSOBAPQS-UHFFFAOYSA-N 0 0 318.339 3.066 20 10 DGCDRN CO[C@H](CC(C)C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000841027953 630397735 /nfs/dbraw/zinc/39/77/35/630397735.db2.gz HLPSCGVTWPDABY-GOSISDBHSA-N 0 0 318.461 3.305 20 10 DGCDRN NC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])C1CCCCC1 ZINC000841039496 630400658 /nfs/dbraw/zinc/40/06/58/630400658.db2.gz RMEXRPXKRAGLER-AWEZNQCLSA-N 0 0 300.805 3.182 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000841085716 630406288 /nfs/dbraw/zinc/40/62/88/630406288.db2.gz BJIFPAYFKQCFMY-SMDDNHRTSA-N 0 0 312.816 3.149 20 10 DGCDRN CCCC1CCC(N(C)C(=O)C(=O)Nc2ccc(N)cc2)CC1 ZINC000841116751 630409950 /nfs/dbraw/zinc/40/99/50/630409950.db2.gz CLBOPRHZNIJRDR-UHFFFAOYSA-N 0 0 317.433 3.025 20 10 DGCDRN CC(C)c1ncsc1NC(=O)NCCc1ccc(N)cc1 ZINC000841258354 630420703 /nfs/dbraw/zinc/42/07/03/630420703.db2.gz DIKFTHLPSUTMST-UHFFFAOYSA-N 0 0 304.419 3.213 20 10 DGCDRN CCC1(CC)[C@H](NC(=O)Nc2ccc(N)cc2)[C@H](C)[C@@H]1OC ZINC000841295579 630424168 /nfs/dbraw/zinc/42/41/68/630424168.db2.gz BVCYYYKCXICKHD-GLQYFDAESA-N 0 0 305.422 3.230 20 10 DGCDRN CC1=C(Br)CN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000841294439 630424238 /nfs/dbraw/zinc/42/42/38/630424238.db2.gz CEINTVPOKFYXDG-UHFFFAOYSA-N 0 0 310.195 3.175 20 10 DGCDRN Cc1cnc(C2CCN(C(=O)Nc3ccc(N)cc3)CC2)s1 ZINC000841297745 630424438 /nfs/dbraw/zinc/42/44/38/630424438.db2.gz UFDUNVZZKGIFBB-UHFFFAOYSA-N 0 0 316.430 3.445 20 10 DGCDRN CC(C)[C@H](NC(=O)Nc1ccc(N)cc1)[C@@H](O)c1ccccc1 ZINC000841297554 630424569 /nfs/dbraw/zinc/42/45/69/630424569.db2.gz SWHUWXCHXDGACP-IRXDYDNUSA-N 0 0 313.401 3.149 20 10 DGCDRN Nc1ccc(NC(=O)N2CC[C@@]3(C2)CCc2ccccc2O3)cc1 ZINC000841300594 630425010 /nfs/dbraw/zinc/42/50/10/630425010.db2.gz WTVCAOWKWDYIQZ-LJQANCHMSA-N 0 0 323.396 3.270 20 10 DGCDRN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)Nc1ccc(N)cc1 ZINC000841299217 630425017 /nfs/dbraw/zinc/42/50/17/630425017.db2.gz XBHRGWAFHXSSNJ-GJZGRUSLSA-N 0 0 305.422 3.326 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2ccc3c(c2)CCCN3)cc1 ZINC000841302600 630425588 /nfs/dbraw/zinc/42/55/88/630425588.db2.gz WDJRYUYRWHGKBB-UHFFFAOYSA-N 0 0 324.428 3.432 20 10 DGCDRN COc1ccccc1C1(CNC(=O)Nc2ccc(N)cc2)CC1 ZINC000841301253 630425622 /nfs/dbraw/zinc/42/56/22/630425622.db2.gz HFBVBFXUSUPPTR-UHFFFAOYSA-N 0 0 311.385 3.131 20 10 DGCDRN COc1ccc(CN(C(=O)Nc2ccc(N)cc2)C2CC2)cc1 ZINC000841302532 630425647 /nfs/dbraw/zinc/42/56/47/630425647.db2.gz YXJBYDGAQZOINA-UHFFFAOYSA-N 0 0 311.385 3.474 20 10 DGCDRN COc1cccc(CNC(=O)C2(C(F)(F)F)CCCC2)c1O ZINC000841406997 630436023 /nfs/dbraw/zinc/43/60/23/630436023.db2.gz VBNZLEZYQBSIHD-UHFFFAOYSA-N 0 0 317.307 3.140 20 10 DGCDRN C[C@H]1[C@@H](C)N(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H]1C ZINC000841580982 630446170 /nfs/dbraw/zinc/44/61/70/630446170.db2.gz KAWSEXQXBLYZPB-BZUAXINKSA-N 0 0 315.461 3.473 20 10 DGCDRN C[C@H](NC(=O)N1C[C@H](C)[C@@H](C)[C@H]1C)c1ccc(N(C)C)cc1 ZINC000841581956 630446205 /nfs/dbraw/zinc/44/62/05/630446205.db2.gz LUBOWNMUEAOWDO-LJISPDSOSA-N 0 0 303.450 3.500 20 10 DGCDRN CC(C)c1ccc(CNC(=O)NCCc2ccc(N)cc2)cc1 ZINC000841735045 630460643 /nfs/dbraw/zinc/46/06/43/630460643.db2.gz OZTOITXNOARONW-UHFFFAOYSA-N 0 0 311.429 3.434 20 10 DGCDRN CNC(=O)C1CCC([NH2+][C@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841747679 630462006 /nfs/dbraw/zinc/46/20/06/630462006.db2.gz RYWCTDPFQHQFCL-XSRFYTQQSA-N 0 0 310.825 3.001 20 10 DGCDRN C[C@@H]([NH2+][C@@H](CO)CC1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000841759918 630462755 /nfs/dbraw/zinc/46/27/55/630462755.db2.gz BBPDRZFGIWEPEF-TZMCWYRMSA-N 0 0 322.405 3.282 20 10 DGCDRN CC[C@@H](Cc1ccccc1)NC(=O)NCCc1ccc(N)cc1 ZINC000841784607 630464523 /nfs/dbraw/zinc/46/45/23/630464523.db2.gz AZKFUJFBZSTEJL-SFHVURJKSA-N 0 0 311.429 3.132 20 10 DGCDRN COc1ccc(C[NH2+]C[C@@]2(CC(=O)[O-])CC[C@H](C)C2)cc1C ZINC000841793934 630465074 /nfs/dbraw/zinc/46/50/74/630465074.db2.gz RRGSVDIHKNUPQC-UGSOOPFHSA-N 0 0 305.418 3.374 20 10 DGCDRN CCC[C@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841788085 630465131 /nfs/dbraw/zinc/46/51/31/630465131.db2.gz RHAJDQMFVVBAQF-RDJZCZTQSA-N 0 0 303.450 3.469 20 10 DGCDRN CCOCc1cc(C[NH2+][C@@H](CC(=O)[O-])C(C)(C)C)ccc1OC ZINC000841799064 630465639 /nfs/dbraw/zinc/46/56/39/630465639.db2.gz NJSGZMIZXDEEJT-INIZCTEOSA-N 0 0 323.433 3.211 20 10 DGCDRN O=C([O-])[C@@H](CC1CCCCC1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841812020 630467081 /nfs/dbraw/zinc/46/70/81/630467081.db2.gz SRCSIQCVYDDVEO-MRXNPFEDSA-N 0 0 303.402 3.135 20 10 DGCDRN Nc1ccc(CCNC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000841836441 630470414 /nfs/dbraw/zinc/47/04/14/630470414.db2.gz OZVXQYBLRLJHRJ-IAGOWNOFSA-N 0 0 301.434 3.079 20 10 DGCDRN Nc1ccc(CCNC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1 ZINC000841837796 630470479 /nfs/dbraw/zinc/47/04/79/630470479.db2.gz XUJFFNSVKJMLOH-HLLBOEOZSA-N 0 0 301.434 3.079 20 10 DGCDRN Nc1ccc(CCNC(=O)N[C@H]2C[C@H]2C2CCCCC2)cc1 ZINC000841836442 630470618 /nfs/dbraw/zinc/47/06/18/630470618.db2.gz OZVXQYBLRLJHRJ-IRXDYDNUSA-N 0 0 301.434 3.079 20 10 DGCDRN CCS[C@@H]1CCC[C@H](NC(=O)NCCc2ccc(N)cc2)C1 ZINC000841850600 630471570 /nfs/dbraw/zinc/47/15/70/630471570.db2.gz XQJNCCVDXDHZIB-JKSUJKDBSA-N 0 0 321.490 3.175 20 10 DGCDRN Nc1ccc(CCNC(=O)NCCC2=CCCCCC2)cc1 ZINC000841879282 630472644 /nfs/dbraw/zinc/47/26/44/630472644.db2.gz YZRSBZCRXURGBE-UHFFFAOYSA-N 0 0 301.434 3.391 20 10 DGCDRN CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)NCCc1ccc(N)cc1 ZINC000841956246 630476789 /nfs/dbraw/zinc/47/67/89/630476789.db2.gz ZSTCELOQWRADFL-GDBMZVCRSA-N 0 0 319.449 3.211 20 10 DGCDRN C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)[C@@H]1c1ccccc1 ZINC000841955225 630476800 /nfs/dbraw/zinc/47/68/00/630476800.db2.gz WGSGGBQDHLYVPP-KDOFPFPSSA-N 0 0 309.413 3.214 20 10 DGCDRN CCC[C@H]1[C@H](C)CCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841955325 630476832 /nfs/dbraw/zinc/47/68/32/630476832.db2.gz ZDMOBVPGWHYGJD-PBHICJAKSA-N 0 0 303.450 3.422 20 10 DGCDRN Nc1ccc(CCNC(=O)N2CC3(CCC3)c3ccccc32)cc1 ZINC000841957404 630476932 /nfs/dbraw/zinc/47/69/32/630476932.db2.gz AWCSGKXCLHWXNM-UHFFFAOYSA-N 0 0 321.424 3.463 20 10 DGCDRN CCON(CC1CCCCC1)C(=O)NCCc1ccc(N)cc1 ZINC000841956192 630476992 /nfs/dbraw/zinc/47/69/92/630476992.db2.gz YBZCJYXNHHXKCM-UHFFFAOYSA-N 0 0 319.449 3.355 20 10 DGCDRN CCCC[C@H](NC(=O)NCCc1ccc(N)cc1)C1CCC1 ZINC000841957654 630477122 /nfs/dbraw/zinc/47/71/22/630477122.db2.gz KQQVUVONSXKKLE-KRWDZBQOSA-N 0 0 303.450 3.469 20 10 DGCDRN Cc1cc(C)cc(CN(C)C(=O)NCCc2ccc(N)cc2)c1 ZINC000841959713 630477172 /nfs/dbraw/zinc/47/71/72/630477172.db2.gz PHSDBSMPQNQHOD-UHFFFAOYSA-N 0 0 311.429 3.270 20 10 DGCDRN C[C@@H](c1ccc(F)cc1)N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841961205 630477236 /nfs/dbraw/zinc/47/72/36/630477236.db2.gz BQYMTBBOEGOAGH-ZDUSSCGKSA-N 0 0 315.392 3.353 20 10 DGCDRN Nc1ccc(CCNC(=O)NC2(Cc3ccccc3)CCC2)cc1 ZINC000841960314 630477272 /nfs/dbraw/zinc/47/72/72/630477272.db2.gz MCZLVRUZIGVZCP-UHFFFAOYSA-N 0 0 323.440 3.276 20 10 DGCDRN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)NCCc1ccc(N)cc1 ZINC000841961029 630477277 /nfs/dbraw/zinc/47/72/77/630477277.db2.gz ZIQHNYBROYIVEL-FRFSOERESA-N 0 0 301.434 3.174 20 10 DGCDRN C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)[C@@H](C)[C@H]1C ZINC000842177512 630503027 /nfs/dbraw/zinc/50/30/27/630503027.db2.gz IBDBTHBVSZMQMX-AGIUHOORSA-N 0 0 307.413 3.078 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)[C@H]3CC3(C)C)C2)cc1 ZINC000842877839 630588582 /nfs/dbraw/zinc/58/85/82/630588582.db2.gz DJPMOGZOQLSXPK-CZUORRHYSA-N 0 0 303.402 3.111 20 10 DGCDRN COc1ccc(N2CC[C@H](COC(=O)CCC3CC3)C2)cc1 ZINC000842880340 630588624 /nfs/dbraw/zinc/58/86/24/630588624.db2.gz XCNRXAYLRMPVCP-HNNXBMFYSA-N 0 0 303.402 3.255 20 10 DGCDRN CCCSCC(=O)OC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000842877888 630588705 /nfs/dbraw/zinc/58/87/05/630588705.db2.gz JGUCBIYXKNJUDQ-AWEZNQCLSA-N 0 0 323.458 3.208 20 10 DGCDRN COc1ccc(N2CC[C@@H](COC(=O)[C@H](C)C3CC3)C2)cc1 ZINC000842880516 630589154 /nfs/dbraw/zinc/58/91/54/630589154.db2.gz YTLDGDMXQJGFAS-ZIAGYGMSSA-N 0 0 303.402 3.111 20 10 DGCDRN CC[C@H](Nc1ccc2c(c1)nnn2C)c1ccc(F)cc1O ZINC000842900254 630592286 /nfs/dbraw/zinc/59/22/86/630592286.db2.gz GQZHQMRAYGOUCG-ZDUSSCGKSA-N 0 0 300.337 3.376 20 10 DGCDRN C[C@H]([NH2+][C@@H](CCO)c1ccccc1F)c1ccc(F)cc1[O-] ZINC000842924432 630594039 /nfs/dbraw/zinc/59/40/39/630594039.db2.gz QCCJKNVXJQUANG-ZBEGNZNMSA-N 0 0 307.340 3.445 20 10 DGCDRN C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)c1cc(Br)c(F)cc1[O-] ZINC000842928292 630594377 /nfs/dbraw/zinc/59/43/77/630594377.db2.gz JAIDBDXORDAAFM-IWSPIJDZSA-N 0 0 318.186 3.122 20 10 DGCDRN COc1cccc(CNC(=O)Nc2c(F)cccc2F)c1O ZINC000104973473 630600558 /nfs/dbraw/zinc/60/05/58/630600558.db2.gz OLFAGXSOOIESRI-UHFFFAOYSA-N 0 0 308.284 3.001 20 10 DGCDRN CC[C@@H]([NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)C(=O)[O-] ZINC000843040657 630607130 /nfs/dbraw/zinc/60/71/30/630607130.db2.gz WYRCLOVSLZQFEM-MRXNPFEDSA-N 0 0 318.442 3.337 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000843047972 630608476 /nfs/dbraw/zinc/60/84/76/630608476.db2.gz FSQDJFUDZIFOBW-LSDHHAIUSA-N 0 0 312.816 3.291 20 10 DGCDRN CC(C)c1nc(-c2nc(Cc3ccc(N)cc3)no2)cs1 ZINC000843159194 630623487 /nfs/dbraw/zinc/62/34/87/630623487.db2.gz MHGVDLGSWYXEQB-UHFFFAOYSA-N 0 0 300.387 3.490 20 10 DGCDRN CCOCCC1(c2nc(Cc3ccc(N)cc3)no2)CCC1 ZINC000843159320 630623566 /nfs/dbraw/zinc/62/35/66/630623566.db2.gz OZVQOLJKGQKXSQ-UHFFFAOYSA-N 0 0 301.390 3.091 20 10 DGCDRN CC[C@@H](C)Oc1cc(-c2noc(Cc3ccc(N)cc3)n2)ccn1 ZINC000843192645 630632046 /nfs/dbraw/zinc/63/20/46/630632046.db2.gz GSXIFLOTOWSCFN-GFCCVEGCSA-N 0 0 324.384 3.482 20 10 DGCDRN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@H](CC(C)(C)C)C1=O ZINC000843309484 630644602 /nfs/dbraw/zinc/64/46/02/630644602.db2.gz ZIRHFNADRQJJKV-IUODEOHRSA-N 0 0 317.433 3.170 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000843418438 630654896 /nfs/dbraw/zinc/65/48/96/630654896.db2.gz SWLXVZVCBSZZTG-SFHVURJKSA-N 0 0 320.502 3.241 20 10 DGCDRN CC(C)Cn1nccc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000843582064 630674570 /nfs/dbraw/zinc/67/45/70/630674570.db2.gz YLBPCOXYTZCHNS-CQSZACIVSA-N 0 0 314.433 3.096 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCC(=O)C1 ZINC000843758375 630698345 /nfs/dbraw/zinc/69/83/45/630698345.db2.gz PRKUNQBJBWGRTD-INIZCTEOSA-N 0 0 314.429 3.005 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cccc(SC)n2)c1 ZINC000843830487 630701797 /nfs/dbraw/zinc/70/17/97/630701797.db2.gz HFHZIYZBFAJZOS-JTQLQIEISA-N 0 0 318.398 3.009 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccn(CC)n1 ZINC000843880527 630702469 /nfs/dbraw/zinc/70/24/69/630702469.db2.gz QYDZQAYHGIJCDK-UHFFFAOYSA-N 0 0 301.390 3.051 20 10 DGCDRN CCN(CCSC)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000844123260 630709911 /nfs/dbraw/zinc/70/99/11/630709911.db2.gz UVUGUCVKNCJYCO-UHFFFAOYSA-N 0 0 317.458 3.314 20 10 DGCDRN CC[C@@H](C(=O)NCCc1ccc(N)cc1)c1ccc(OC)cc1 ZINC000844164388 630711214 /nfs/dbraw/zinc/71/12/14/630711214.db2.gz FGDBTCUNINMIDK-GOSISDBHSA-N 0 0 312.413 3.130 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1F ZINC000844357822 630720861 /nfs/dbraw/zinc/72/08/61/630720861.db2.gz RCRGLYVPQJWSCC-VHDGCEQUSA-N 0 0 302.393 3.110 20 10 DGCDRN CCC[C@H](C)[C@@H](CO)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000844378717 630723018 /nfs/dbraw/zinc/72/30/18/630723018.db2.gz LUZQAJNOBXRZQM-ZUZCIYMTSA-N 0 0 313.825 3.135 20 10 DGCDRN CS[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000844775272 630854577 /nfs/dbraw/zinc/85/45/77/630854577.db2.gz SROLSKCAXVWLTF-HZPDHXFCSA-N 0 0 321.490 3.226 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000844780859 630862013 /nfs/dbraw/zinc/86/20/13/630862013.db2.gz LAJDXFDEUJLEBF-INIZCTEOSA-N 0 0 323.387 3.083 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H]2CC[C@H](C)C2)cc1 ZINC000844856257 630945445 /nfs/dbraw/zinc/94/54/45/630945445.db2.gz MLXVLGPHAPJDDN-GJZGRUSLSA-N 0 0 304.434 3.026 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)cc1 ZINC000844857337 630947398 /nfs/dbraw/zinc/94/73/98/630947398.db2.gz UGEFNSCEAVLRSX-CCWDJLKJSA-N 0 0 316.445 3.026 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC1(C2CCC2)CC1 ZINC000844887788 630965653 /nfs/dbraw/zinc/96/56/53/630965653.db2.gz MPLHRDZEHFSANB-UHFFFAOYSA-N 0 0 313.445 3.419 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](F)C2)cc1 ZINC000844899506 630970698 /nfs/dbraw/zinc/97/06/98/630970698.db2.gz WTQRNPZRCYVWKO-HNNXBMFYSA-N 0 0 307.413 3.176 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1CNc2ccccc2C1 ZINC000844904565 630973235 /nfs/dbraw/zinc/97/32/35/630973235.db2.gz CQGOJIQRQZOOCR-LLVKDONJSA-N 0 0 306.768 3.311 20 10 DGCDRN CCN(CC)c1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2C(=O)[O-])cc1F ZINC000844936706 630992491 /nfs/dbraw/zinc/99/24/91/630992491.db2.gz WHKIJCJMMUWQRO-LRDDRELGSA-N 0 0 308.397 3.109 20 10 DGCDRN COc1ccc(N(C)CCN(C)C(=O)NCCC=C(C)C)cc1 ZINC000845146310 631098012 /nfs/dbraw/zinc/09/80/12/631098012.db2.gz FEIKFNNGCQBPKE-UHFFFAOYSA-N 0 0 319.449 3.129 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)NC[C@H]1CCC(F)(F)C1 ZINC000845170156 631112389 /nfs/dbraw/zinc/11/23/89/631112389.db2.gz ONRFCVYZMCAJPE-VIFPVBQESA-N 0 0 318.751 3.280 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1CCCC1(F)F ZINC000845236398 631152323 /nfs/dbraw/zinc/15/23/23/631152323.db2.gz RCOHPJWGJSENHJ-JTQLQIEISA-N 0 0 318.751 3.280 20 10 DGCDRN Cc1ccc(CNC(=O)NCc2cc(Cl)ccc2O)nc1C ZINC000845253199 631156361 /nfs/dbraw/zinc/15/63/61/631156361.db2.gz DEBHHAQNBYVOMV-UHFFFAOYSA-N 0 0 319.792 3.057 20 10 DGCDRN COc1ccc(O)c([C@H](C)Nc2nnc(C(F)(F)F)s2)c1 ZINC000845486501 631178196 /nfs/dbraw/zinc/17/81/96/631178196.db2.gz QHBBVGPXPOUJRY-LURJTMIESA-N 0 0 319.308 3.444 20 10 DGCDRN COc1ccc(N(C)Cc2c(Cl)nc(Cl)n2C)cc1 ZINC000845999260 631205243 /nfs/dbraw/zinc/20/52/43/631205243.db2.gz VGGCGNDUBBJRTL-UHFFFAOYSA-N 0 0 300.189 3.372 20 10 DGCDRN COc1cc(O)c(CNc2ncccc2SC)cc1OC ZINC000846061467 631208803 /nfs/dbraw/zinc/20/88/03/631208803.db2.gz LDTUOJORQNBUBY-UHFFFAOYSA-N 0 0 306.387 3.138 20 10 DGCDRN CN(CC[NH+]1CCCCC1)Cc1cc(Cl)cc(F)c1[O-] ZINC000846113862 631210328 /nfs/dbraw/zinc/21/03/28/631210328.db2.gz BHMASICEIVMIQM-UHFFFAOYSA-N 0 0 300.805 3.102 20 10 DGCDRN COc1cccc([C@H](C)N[C@@H](CO)c2c(F)cccc2F)c1O ZINC000846151696 631212319 /nfs/dbraw/zinc/21/23/19/631212319.db2.gz DWNKRUIXENPILP-HZMBPMFUSA-N 0 0 323.339 3.063 20 10 DGCDRN COc1cccc([C@H](C)NCc2csc([C@@H](C)OC)n2)c1O ZINC000846148827 631212405 /nfs/dbraw/zinc/21/24/05/631212405.db2.gz HWLXGEDIUQTXDC-WDEREUQCSA-N 0 0 322.430 3.416 20 10 DGCDRN CC[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000846187940 631214379 /nfs/dbraw/zinc/21/43/79/631214379.db2.gz CXAUSYPRKCYQON-VHSKPIJISA-N 0 0 317.216 3.004 20 10 DGCDRN Cc1cc(C[N@@H+](C)C[C@H](C)C(=O)[O-])ccc1N1CCCCC1 ZINC000846224886 631215755 /nfs/dbraw/zinc/21/57/55/631215755.db2.gz BZAIIZHVUZPXKP-HNNXBMFYSA-N 0 0 304.434 3.138 20 10 DGCDRN Cc1cc(C[N@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)ccc1N(C)C ZINC000846265612 631217930 /nfs/dbraw/zinc/21/79/30/631217930.db2.gz NGAJROZYFLUSHT-SZMVWBNQSA-N 0 0 316.445 3.279 20 10 DGCDRN CCC[N@H+](CC(=O)[O-])Cc1ccc(N2CCCCC2)c(C)c1 ZINC000846265846 631218164 /nfs/dbraw/zinc/21/81/64/631218164.db2.gz SWIKFCGNBMGIQO-UHFFFAOYSA-N 0 0 304.434 3.282 20 10 DGCDRN CCN(C)c1ccc(C[N@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC000846271677 631218314 /nfs/dbraw/zinc/21/83/14/631218314.db2.gz XBQOCXJGUGCAQM-IBGZPJMESA-N 0 0 324.424 3.327 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1ccnc(C2CC2)c1 ZINC000846474306 631249586 /nfs/dbraw/zinc/24/95/86/631249586.db2.gz UHBPGOVPDFFCKP-UHFFFAOYSA-N 0 0 302.761 3.248 20 10 DGCDRN CC[C@@H](OC1CCCC1)C(=O)NCc1cc(Cl)ccc1O ZINC000846476656 631250323 /nfs/dbraw/zinc/25/03/23/631250323.db2.gz OBNDPSXXZAWEGR-OAHLLOKOSA-N 0 0 311.809 3.400 20 10 DGCDRN C[C@@H]1CCCc2ncc(C(=O)NCc3cc(Cl)ccc3O)n21 ZINC000846475296 631250705 /nfs/dbraw/zinc/25/07/05/631250705.db2.gz BTHWQGUPQGSKHX-SNVBAGLBSA-N 0 0 319.792 3.069 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1CCc2ccccc2C1 ZINC000846475225 631250728 /nfs/dbraw/zinc/25/07/28/631250728.db2.gz AGPZOVKZLIGRAC-AWEZNQCLSA-N 0 0 315.800 3.467 20 10 DGCDRN C[C@@H]1CN(C(=O)C2=CC(=O)CS2)CCc2ccc(F)cc21 ZINC000846662459 631281191 /nfs/dbraw/zinc/28/11/91/631281191.db2.gz RMMDOBNYNBIOKS-SNVBAGLBSA-N 0 0 305.374 3.395 20 10 DGCDRN CCc1cccc2c(CC(=O)NCCc3ccc(N)cc3)c[nH]c21 ZINC000846664748 631282431 /nfs/dbraw/zinc/28/24/31/631282431.db2.gz BWEWFRZVNYTGIB-UHFFFAOYSA-N 0 0 321.424 3.214 20 10 DGCDRN CCN(CC)c1ccc(CN(C)[C@H](C)c2nccc(N)n2)cc1 ZINC000846766625 631299456 /nfs/dbraw/zinc/29/94/56/631299456.db2.gz VCUMLYMRUMKPRP-CQSZACIVSA-N 0 0 313.449 3.098 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2ccc(C(F)F)nc2)cc1F ZINC000846841163 631323470 /nfs/dbraw/zinc/32/34/70/631323470.db2.gz AHNTYBRJMFOZTD-UHFFFAOYSA-N 0 0 323.318 3.154 20 10 DGCDRN C/C(=C/c1cccnc1)C(=O)NCc1ccc(N(C)C)cc1C ZINC000846875118 631336612 /nfs/dbraw/zinc/33/66/12/631336612.db2.gz DAMIQOXEJIVSHL-GDNBJRDFSA-N 0 0 309.413 3.176 20 10 DGCDRN C/C(=C/c1cccnc1)C(=O)N1CCCN(C)c2ccccc21 ZINC000846885044 631340181 /nfs/dbraw/zinc/34/01/81/631340181.db2.gz MMIACPZKLBLLIC-SQFISAMPSA-N 0 0 307.397 3.358 20 10 DGCDRN CCc1noc(CN(C)c2ccc(-c3nccs3)cc2)n1 ZINC000846991407 631374769 /nfs/dbraw/zinc/37/47/69/631374769.db2.gz KATJEYJDMSNYDS-UHFFFAOYSA-N 0 0 300.387 3.392 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCC[Si](C)(C)C ZINC000847696906 631517432 /nfs/dbraw/zinc/51/74/32/631517432.db2.gz XDSPKNXHYBWAMU-GFCCVEGCSA-N 0 0 309.482 3.263 20 10 DGCDRN Nc1ccc(CCNC(=O)CCCc2ccc(F)cc2)cc1 ZINC000848393901 631653848 /nfs/dbraw/zinc/65/38/48/631653848.db2.gz COAXBTPLRKEQOA-UHFFFAOYSA-N 0 0 300.377 3.090 20 10 DGCDRN CCN1C[C@@H](CSc2ncc(C(C)(C)C)s2)OC1=O ZINC000848432725 631661382 /nfs/dbraw/zinc/66/13/82/631661382.db2.gz QABPQHIINPZVSF-VIFPVBQESA-N 0 0 300.449 3.373 20 10 DGCDRN CCN(CC)c1ccc(CN[C@@H]2CCCn3ccnc32)cc1F ZINC000848527858 631679083 /nfs/dbraw/zinc/67/90/83/631679083.db2.gz GJDAYZQYLSRHIR-MRXNPFEDSA-N 0 0 316.424 3.493 20 10 DGCDRN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC23CC3)c1O ZINC000848553931 631690977 /nfs/dbraw/zinc/69/09/77/631690977.db2.gz RNBQOBXQODYQCL-QPUJVOFHSA-N 0 0 312.207 3.366 20 10 DGCDRN CC[C@H]([NH2+]C[C@@](C)(CO)OC)c1cc(Cl)cc(Cl)c1[O-] ZINC000848556399 631690988 /nfs/dbraw/zinc/69/09/88/631690988.db2.gz WRULUBMYRATZON-JSGCOSHPSA-N 0 0 322.232 3.137 20 10 DGCDRN COc1c(C)cccc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000848560030 631692961 /nfs/dbraw/zinc/69/29/61/631692961.db2.gz JFYXAJLBRYGPJC-GFCCVEGCSA-N 0 0 316.357 3.468 20 10 DGCDRN CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCCO1 ZINC000848567907 631695805 /nfs/dbraw/zinc/69/58/05/631695805.db2.gz SLJGDGWLBLJDSX-DIOULYMOSA-N 0 0 308.378 3.299 20 10 DGCDRN Cc1ccc(O)c(CN[C@@H](C[C@H]2CCCO2)C(F)(F)F)c1 ZINC000848571190 631697962 /nfs/dbraw/zinc/69/79/62/631697962.db2.gz DSOCVWXEUHSUOG-OCCSQVGLSA-N 0 0 303.324 3.290 20 10 DGCDRN CCc1cccc(CN2C[C@@H](C)O[C@H](C(F)(F)F)C2)c1O ZINC000848888112 631772706 /nfs/dbraw/zinc/77/27/06/631772706.db2.gz MFWUULZCCXDRKK-MFKMUULPSA-N 0 0 303.324 3.106 20 10 DGCDRN CCc1cccc(CNc2cccc(N3CCOCC3)c2)c1O ZINC000848891858 631774501 /nfs/dbraw/zinc/77/45/01/631774501.db2.gz CETCFGSROOXKMO-UHFFFAOYSA-N 0 0 312.413 3.403 20 10 DGCDRN CCc1cccc(CNc2cccc([C@@H]3CNC(=O)C3)c2)c1O ZINC000848890728 631775002 /nfs/dbraw/zinc/77/50/02/631775002.db2.gz KTSWLKKBAHDOKB-INIZCTEOSA-N 0 0 310.397 3.170 20 10 DGCDRN CCc1cccc(CN2C[C@@H](C(F)(F)F)OC[C@H]2C)c1O ZINC000848910152 631782744 /nfs/dbraw/zinc/78/27/44/631782744.db2.gz HJLYIEHNGQMZRY-MFKMUULPSA-N 0 0 303.324 3.106 20 10 DGCDRN Cc1cc(O)c(CN[C@H](C)C(=O)OCc2ccccc2)cc1C ZINC000848920923 631787153 /nfs/dbraw/zinc/78/71/53/631787153.db2.gz MWUIGOZYYHIVIC-OAHLLOKOSA-N 0 0 313.397 3.231 20 10 DGCDRN CN1C(=O)/C(=C\c2cccc(OC3CC3)c2F)SC1=S ZINC000849174408 631853546 /nfs/dbraw/zinc/85/35/46/631853546.db2.gz QVZXXQVNTOPORV-YRNVUSSQSA-N 0 0 309.387 3.198 20 10 DGCDRN COc1ccc(C[NH2+][C@@H](C(=O)[O-])[C@@H](C)c2ccccc2)cc1C ZINC000849230539 631859769 /nfs/dbraw/zinc/85/97/69/631859769.db2.gz IEHKPQMIRVPRKA-KBXCAEBGSA-N 0 0 313.397 3.350 20 10 DGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=S)NCC1CC1 ZINC000849253775 631868177 /nfs/dbraw/zinc/86/81/77/631868177.db2.gz YFUIVFOFHPBIIQ-UHFFFAOYSA-N 0 0 317.502 3.393 20 10 DGCDRN CC[C@@H](C)CCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000849359492 631902785 /nfs/dbraw/zinc/90/27/85/631902785.db2.gz QZWSRXSGGBRVKB-LLVKDONJSA-N 0 0 324.808 3.246 20 10 DGCDRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000108648291 631913389 /nfs/dbraw/zinc/91/33/89/631913389.db2.gz UJDODNXMUOLILZ-ZDUSSCGKSA-N 0 0 306.406 3.109 20 10 DGCDRN C[C@H]1C[C@@H](NCc2ccc(N3CCCCC3)cc2)c2ncnn21 ZINC000850352412 632122950 /nfs/dbraw/zinc/12/29/50/632122950.db2.gz VAQXDODHEZLJAM-WMLDXEAASA-N 0 0 311.433 3.064 20 10 DGCDRN C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])c2ncnn21 ZINC000850352279 632122999 /nfs/dbraw/zinc/12/29/99/632122999.db2.gz QYXZYWBWEHEYAH-CPCISQLKSA-N 0 0 313.188 3.086 20 10 DGCDRN COc1cccc(CNCC(F)(F)c2cccc(F)c2)c1O ZINC000850354482 632123013 /nfs/dbraw/zinc/12/30/13/632123013.db2.gz KHZLGWNRHOXFFO-UHFFFAOYSA-N 0 0 311.303 3.422 20 10 DGCDRN COC[C@H](CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-])OC ZINC000850485441 632167091 /nfs/dbraw/zinc/16/70/91/632167091.db2.gz IDLZLUDAEYGXOY-ZJUUUORDSA-N 0 0 322.232 3.401 20 10 DGCDRN Cc1cc(Cl)cc([C@H](C)N[C@@H]2C[C@H](C)n3ncnc32)c1O ZINC000850499205 632172267 /nfs/dbraw/zinc/17/22/67/632172267.db2.gz LFQTULAYMMKGOZ-OUJBWJOFSA-N 0 0 306.797 3.302 20 10 DGCDRN CC[C@H]([NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1ccc(F)cc1[O-] ZINC000850500667 632172587 /nfs/dbraw/zinc/17/25/87/632172587.db2.gz GEFDUHNTRAYYPY-HNGAVHBYSA-N 0 0 313.438 3.262 20 10 DGCDRN C[C@@H]([NH2+]CC1(O)CCC(C)(C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850552586 632190053 /nfs/dbraw/zinc/19/00/53/632190053.db2.gz OBRPIAVYIGRVRF-GFCCVEGCSA-N 0 0 322.405 3.282 20 10 DGCDRN CO[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C1CCCC1 ZINC000850561055 632194606 /nfs/dbraw/zinc/19/46/06/632194606.db2.gz HNZOKGAMBSUWAN-MEDUHNTESA-N 0 0 308.378 3.156 20 10 DGCDRN COc1ccc(N(C[C@H](OC)[C@@H]2CCOC2)C(C)C)cc1F ZINC000851835667 632505761 /nfs/dbraw/zinc/50/57/61/632505761.db2.gz DGEDLVHHFGOVGI-DYVFJYSZSA-N 0 0 311.397 3.101 20 10 DGCDRN COC[C@H](CN(Cc1ccco1)c1ccc(OC)c(F)c1)OC ZINC000851848466 632507776 /nfs/dbraw/zinc/50/77/76/632507776.db2.gz LYEYDZKCVZEOQU-HNNXBMFYSA-N 0 0 323.364 3.095 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000851987474 632534472 /nfs/dbraw/zinc/53/44/72/632534472.db2.gz OALCUYGJOAMQPT-HZPDHXFCSA-N 0 0 301.434 3.084 20 10 DGCDRN CC(C)(F)CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000851988479 632535390 /nfs/dbraw/zinc/53/53/90/632535390.db2.gz YXAZDDPTVMJEAM-UHFFFAOYSA-N 0 0 307.413 3.224 20 10 DGCDRN CC[C@H](C)[C@@H](C)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852007330 632538133 /nfs/dbraw/zinc/53/81/33/632538133.db2.gz ADJNSGRLCKZIFG-RRFJBIMHSA-N 0 0 319.449 3.008 20 10 DGCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@@H]1CCC(=O)O1 ZINC000852187274 632568241 /nfs/dbraw/zinc/56/82/41/632568241.db2.gz NGCLYEWEEUAFAV-ZBFHGGJFSA-N 0 0 303.402 3.036 20 10 DGCDRN C[C@@H](NC(=O)NC[C@@H]1CCC[C@@H](C)O1)c1ccc(N(C)C)cc1 ZINC000852261107 632578257 /nfs/dbraw/zinc/57/82/57/632578257.db2.gz KSCDXGWCKJMRAW-CPUCHLNUSA-N 0 0 319.449 3.070 20 10 DGCDRN C[C@H](NC(=O)NC[C@]1(C)CC1(F)F)c1ccc(N(C)C)cc1 ZINC000852261266 632578396 /nfs/dbraw/zinc/57/83/96/632578396.db2.gz OMWUCOZJVZUHJI-NHYWBVRUSA-N 0 0 311.376 3.158 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H]1C=CCC1 ZINC000852385429 632597995 /nfs/dbraw/zinc/59/79/95/632597995.db2.gz PQQSQAUBWUQWLN-ZBFHGGJFSA-N 0 0 301.434 3.010 20 10 DGCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(C)(C)C)C2)cc1 ZINC000852401619 632599659 /nfs/dbraw/zinc/59/96/59/632599659.db2.gz VMIVDYCXMUUEQT-KGLIPLIRSA-N 0 0 319.449 3.008 20 10 DGCDRN CC(=O)c1cc(Cl)cc(CN2CC3(CCC3)OC[C@@H]2C)c1O ZINC000852441999 632603582 /nfs/dbraw/zinc/60/35/82/632603582.db2.gz VVDHRPYMSSMZKM-NSHDSACASA-N 0 0 323.820 3.392 20 10 DGCDRN CC[C@@H](C)CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852450674 632606127 /nfs/dbraw/zinc/60/61/27/632606127.db2.gz RFXDPVWDQIWCCD-HUUCEWRRSA-N 0 0 319.449 3.009 20 10 DGCDRN C[C@H](c1ccsc1)N1CCN(Cc2cc(F)ccc2O)CC1 ZINC000184972212 660196778 /nfs/dbraw/zinc/19/67/78/660196778.db2.gz GILWMCNODJYKED-CYBMUJFWSA-N 0 0 320.433 3.472 20 10 DGCDRN COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185350584 660217483 /nfs/dbraw/zinc/21/74/83/660217483.db2.gz YXQFBZDFCINDKU-SNVBAGLBSA-N 0 0 320.320 3.299 20 10 DGCDRN C[C@H]([NH2+]CCCOCC1CCOCC1)c1ccc(F)cc1[O-] ZINC000185520136 660227047 /nfs/dbraw/zinc/22/70/47/660227047.db2.gz VAJMMXZUZPXXCL-ZDUSSCGKSA-N 0 0 311.397 3.015 20 10 DGCDRN C[C@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000185647348 660235284 /nfs/dbraw/zinc/23/52/84/660235284.db2.gz LGOPBMSLGVAHHA-ZDUSSCGKSA-N 0 0 320.383 3.453 20 10 DGCDRN CC[C@H]1[C@@H](C)CCN1C(=O)NCCCSc1nccs1 ZINC000185648649 660235390 /nfs/dbraw/zinc/23/53/90/660235390.db2.gz SKLDGNWXFCZZQB-RYUDHWBXSA-N 0 0 313.492 3.455 20 10 DGCDRN C[C@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1ccc(F)cc1[O-] ZINC000186094704 660266150 /nfs/dbraw/zinc/26/61/50/660266150.db2.gz YBUVGPXLCIWQDP-WIUDPPPLSA-N 0 0 307.390 3.120 20 10 DGCDRN C[C@@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1ccc(F)cc1[O-] ZINC000186230478 660350792 /nfs/dbraw/zinc/35/07/92/660350792.db2.gz PPHNPOOGVAFVOZ-OCCSQVGLSA-N 0 0 309.381 3.258 20 10 DGCDRN O=C(/C=C/c1cncc(F)c1)N1CCN(C2CC2)c2ccccc21 ZINC000186773883 660574270 /nfs/dbraw/zinc/57/42/70/660574270.db2.gz SZQRDVKAUJLYCX-VMPITWQZSA-N 0 0 323.371 3.250 20 10 DGCDRN COc1cccc(CNC(=O)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1O ZINC000186967323 660603043 /nfs/dbraw/zinc/60/30/43/660603043.db2.gz AGXZVKZOZAVQQP-MBNYWOFBSA-N 0 0 306.406 3.025 20 10 DGCDRN CC[C@H]1CN(Cc2ccc(Br)cc2O)C[C@H](C)O1 ZINC000708351416 660920276 /nfs/dbraw/zinc/92/02/76/660920276.db2.gz XQCQPQMPBCZSGM-GWCFXTLKSA-N 0 0 314.223 3.154 20 10 DGCDRN Cc1ccc(CC[NH2+]Cc2cccc(Br)c2[O-])o1 ZINC000709745679 660927236 /nfs/dbraw/zinc/92/72/36/660927236.db2.gz BXRLANQGTAILGF-UHFFFAOYSA-N 0 0 310.191 3.388 20 10 DGCDRN CCC[C@H](NC(=O)C1=CC(=O)CS1)[C@H](O)c1ccccc1 ZINC000792683243 660979430 /nfs/dbraw/zinc/97/94/30/660979430.db2.gz RUPHJUZTFCSOLJ-DZGCQCFKSA-N 0 0 305.399 3.086 20 10 DGCDRN C[C@H]1COC(C)(C)C[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000792727212 660981549 /nfs/dbraw/zinc/98/15/49/660981549.db2.gz KBNQFEUGOVDYGD-LBPRGKRZSA-N 0 0 307.434 3.395 20 10 DGCDRN CC[C@@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)CCO1 ZINC000792778883 660984087 /nfs/dbraw/zinc/98/40/87/660984087.db2.gz WMWGFNXZIWMCNT-CQSZACIVSA-N 0 0 316.367 3.382 20 10 DGCDRN CN(C)c1ccc(CN2C[C@H]3CC[C@@H](C2)O3)c(C(F)(F)F)c1 ZINC000792828669 660986854 /nfs/dbraw/zinc/98/68/54/660986854.db2.gz WRZZUPZMMHVSJU-OKILXGFUSA-N 0 0 314.351 3.135 20 10 DGCDRN COc1ccc(CNC(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)c(O)c1 ZINC000792934981 660995134 /nfs/dbraw/zinc/99/51/34/660995134.db2.gz BJFIMYPRNCAJIH-YWPYICTPSA-N 0 0 306.406 3.025 20 10 DGCDRN CCN(CC1CCC1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000792952818 660996610 /nfs/dbraw/zinc/99/66/10/660996610.db2.gz UVEOOZROAXHCSN-UHFFFAOYSA-N 0 0 315.461 3.401 20 10 DGCDRN C[C@H]1CC[C@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000792956776 660996949 /nfs/dbraw/zinc/99/69/49/660996949.db2.gz MJYHESWQYOXRBS-RDJZCZTQSA-N 0 0 313.445 3.298 20 10 DGCDRN CC[C@@H](C)[C@H](OC)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000793245223 661017322 /nfs/dbraw/zinc/01/73/22/661017322.db2.gz KFPNELJLELJIHU-PBHICJAKSA-N 0 0 306.450 3.162 20 10 DGCDRN CC[C@@H](C)[C@@H](OC)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000793468319 661037301 /nfs/dbraw/zinc/03/73/01/661037301.db2.gz LESFZCIFRRUFEN-CXAGYDPISA-N 0 0 324.440 3.349 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000793610339 661049701 /nfs/dbraw/zinc/04/97/01/661049701.db2.gz UIFQCZDTRNGWHF-UHFFFAOYSA-N 0 0 319.767 3.393 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCC2(F)CCC2)c1 ZINC000806044181 661073856 /nfs/dbraw/zinc/07/38/56/661073856.db2.gz ZWUHUAGVMKOLRE-LLVKDONJSA-N 0 0 310.369 3.043 20 10 DGCDRN COc1ccc(CNC(=O)/C=C\c2ccc3[nH]ccc3c2)c(O)c1 ZINC000794381667 661081762 /nfs/dbraw/zinc/08/17/62/661081762.db2.gz QTYOQYLAYVIUNG-CLTKARDFSA-N 0 0 322.364 3.212 20 10 DGCDRN COc1ccc(CNC(=O)c2cc(C)c(F)cc2Cl)c(O)c1 ZINC000794379276 661081829 /nfs/dbraw/zinc/08/18/29/661081829.db2.gz KNMAJVSZGKKFEL-UHFFFAOYSA-N 0 0 323.751 3.432 20 10 DGCDRN COc1ccc(CNC(=O)/C=C(/C)c2ccc(F)cc2)c(O)c1 ZINC000794381003 661081915 /nfs/dbraw/zinc/08/19/15/661081915.db2.gz HNLSFFMGQKZFBH-XFXZXTDPSA-N 0 0 315.344 3.260 20 10 DGCDRN CC[C@@H](Cc1ccccc1)C(=O)NCc1ccc(OC)cc1O ZINC000794379795 661081982 /nfs/dbraw/zinc/08/19/82/661081982.db2.gz WIZDUVWPLNOBGY-HNNXBMFYSA-N 0 0 313.397 3.286 20 10 DGCDRN COc1ccc(CNC(=O)CC2CC(OC(C)(C)C)C2)c(O)c1 ZINC000794382275 661082052 /nfs/dbraw/zinc/08/20/52/661082052.db2.gz TVPQWHGEDVVPBT-UHFFFAOYSA-N 0 0 321.417 3.001 20 10 DGCDRN COc1ccc(CNC(=O)C(C)(C)c2cccs2)c(O)c1 ZINC000794383880 661082238 /nfs/dbraw/zinc/08/22/38/661082238.db2.gz RSWJYSNZRMPPEE-UHFFFAOYSA-N 0 0 305.399 3.056 20 10 DGCDRN COc1ccc(CNC(=O)C/C=C/c2ccc(C)cc2)c(O)c1 ZINC000794387571 661082691 /nfs/dbraw/zinc/08/26/91/661082691.db2.gz LGTAVPIDQOKLCY-ONEGZZNKSA-N 0 0 311.381 3.429 20 10 DGCDRN COc1ccc(CNC(=O)c2ccc(SC)cc2)c(O)c1 ZINC000794388701 661082710 /nfs/dbraw/zinc/08/27/10/661082710.db2.gz ZTHANVIRERGKHG-UHFFFAOYSA-N 0 0 303.383 3.053 20 10 DGCDRN Cc1ccn(-c2ccc(NC(=O)NCc3ccccc3O)cc2)n1 ZINC000794399357 661082873 /nfs/dbraw/zinc/08/28/73/661082873.db2.gz XXPHVZUNLUQMNI-UHFFFAOYSA-N 0 0 322.368 3.208 20 10 DGCDRN CCn1ncnc1CN[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000794840475 661108799 /nfs/dbraw/zinc/10/87/99/661108799.db2.gz IQEREKRZYNIECR-HNNXBMFYSA-N 0 0 313.449 3.139 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)C(C)(C)C2CCOCC2)cc1 ZINC000794883804 661111405 /nfs/dbraw/zinc/11/14/05/661111405.db2.gz XKGNABNZUQODES-UHFFFAOYSA-N 0 0 318.461 3.164 20 10 DGCDRN O=S(=O)(CCc1cccc(Cl)c1)Nc1ccc(O)cc1 ZINC000795276278 661138027 /nfs/dbraw/zinc/13/80/27/661138027.db2.gz ONTXSEQSZNYRIA-UHFFFAOYSA-N 0 0 311.790 3.030 20 10 DGCDRN COC(=O)/C=C/c1ccc(N2CCC(C)=C(C)C2)c([N+](=O)[O-])c1 ZINC000795302592 661139074 /nfs/dbraw/zinc/13/90/74/661139074.db2.gz IVTDAXDXWWBOSW-FNORWQNLSA-N 0 0 316.357 3.328 20 10 DGCDRN CC1(C)CC(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000795329827 661140565 /nfs/dbraw/zinc/14/05/65/661140565.db2.gz SAFLPWOIAHIAPA-UHFFFAOYSA-N 0 0 318.486 3.292 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)/C=C\c1ccc(Cl)nc1 ZINC000255041872 655571482 /nfs/dbraw/zinc/57/14/82/655571482.db2.gz XTJFFGZIFKFKFW-CLFYSBASSA-N 0 0 302.761 3.112 20 10 DGCDRN CN(C)c1ccc(CNC(=O)Nc2ccc(Cl)cn2)cc1F ZINC000175855533 655613489 /nfs/dbraw/zinc/61/34/89/655613489.db2.gz OILSKHDHUGSIHA-UHFFFAOYSA-N 0 0 322.771 3.262 20 10 DGCDRN CC(=O)c1cc(F)cc(CN2CCc3sccc3C2)c1O ZINC000050132349 655636030 /nfs/dbraw/zinc/63/60/30/655636030.db2.gz KWABOWKYKCEIMH-UHFFFAOYSA-N 0 0 305.374 3.354 20 10 DGCDRN Oc1cccc(Cl)c1CNc1cnc(Br)cn1 ZINC000795798186 661172219 /nfs/dbraw/zinc/17/22/19/661172219.db2.gz LAUNKJOODRCODC-UHFFFAOYSA-N 0 0 314.570 3.210 20 10 DGCDRN Cc1cc(O)c(CNc2cn(Cc3ccccc3)nn2)cc1C ZINC000795805495 661173690 /nfs/dbraw/zinc/17/36/90/661173690.db2.gz HHTJIFTWFBKFAV-UHFFFAOYSA-N 0 0 308.385 3.261 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@H]2C2CC2)cc1F ZINC000176036286 655720761 /nfs/dbraw/zinc/72/07/61/655720761.db2.gz RQFVSOMQLCDTTM-GJZGRUSLSA-N 0 0 304.409 3.334 20 10 DGCDRN CN(C)c1ccc(CN[C@@H](c2ncc[nH]2)c2ccc(F)cc2)cc1 ZINC000187705692 655727208 /nfs/dbraw/zinc/72/72/08/655727208.db2.gz WFLQJLYTSZCJQL-GOSISDBHSA-N 0 0 324.403 3.494 20 10 DGCDRN CN(Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc2c(c1)OCO2 ZINC000795973482 661182721 /nfs/dbraw/zinc/18/27/21/661182721.db2.gz ZLIJXBJADFSLBK-UHFFFAOYSA-N 0 0 322.267 3.238 20 10 DGCDRN O=C(NCCCSc1nccs1)N1CCc2ccccc21 ZINC000176678982 655780849 /nfs/dbraw/zinc/78/08/49/655780849.db2.gz ALILSBFZCRIAGL-UHFFFAOYSA-N 0 0 319.455 3.398 20 10 DGCDRN C[C@@H]1[C@@H](C)CCN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000178617708 655787347 /nfs/dbraw/zinc/78/73/47/655787347.db2.gz ZCKRFEJRJRWPCF-UONOGXRCSA-N 0 0 301.434 3.009 20 10 DGCDRN O=C1N=C(N2CCCCC2)S/C1=C/c1cc(F)cc(F)c1 ZINC000158800846 655833653 /nfs/dbraw/zinc/83/36/53/655833653.db2.gz DXRNBAJZEYERQV-MDWZMJQESA-N 0 0 308.353 3.421 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1n[nH]c2ccccc21 ZINC000052851278 655845625 /nfs/dbraw/zinc/84/56/25/655845625.db2.gz RWNYMBKCPNUFLW-UHFFFAOYSA-N 0 0 322.412 3.291 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[N@@H+](C)C[C@H]2CCCN(C)C2)c1[O-] ZINC000177184635 655916392 /nfs/dbraw/zinc/91/63/92/655916392.db2.gz JLMNIAOAVIZNQM-ZDUSSCGKSA-N 0 0 324.852 3.022 20 10 DGCDRN O=C(Nc1cccc(N2CCOCC2)c1)c1ccc2c(c1)CCC2 ZINC000096733736 655917355 /nfs/dbraw/zinc/91/73/55/655917355.db2.gz DXDNHOOTJRQTSQ-UHFFFAOYSA-N 0 0 322.408 3.264 20 10 DGCDRN Cc1ccc(C(=O)NCc2nc(C(C)(C)C)cs2)c(O)c1O ZINC000177682403 655939159 /nfs/dbraw/zinc/93/91/59/655939159.db2.gz CWPSPCCNSBKJOU-UHFFFAOYSA-N 0 0 320.414 3.090 20 10 DGCDRN CCOCc1cccc(NC(=O)c2ccc(C)c(O)c2O)c1 ZINC000177679760 655939169 /nfs/dbraw/zinc/93/91/69/655939169.db2.gz YCFVSOWVTYTGNP-UHFFFAOYSA-N 0 0 301.342 3.195 20 10 DGCDRN CC(C)(C)c1cnc(SCC(=O)NCc2ccccn2)s1 ZINC000164197129 655973856 /nfs/dbraw/zinc/97/38/56/655973856.db2.gz IBGLZEYQENWGNM-UHFFFAOYSA-N 0 0 321.471 3.244 20 10 DGCDRN COc1ccc(O)c(CNc2cc3c(cc2Cl)OCO3)c1 ZINC000036969626 661211138 /nfs/dbraw/zinc/21/11/38/661211138.db2.gz WCGYDOAVAYQYHB-UHFFFAOYSA-N 0 0 307.733 3.395 20 10 DGCDRN CCCN(Cc1ccccc1O)C(=O)NCc1scnc1C ZINC000066703764 655994985 /nfs/dbraw/zinc/99/49/85/655994985.db2.gz BVMWPWYXOYQJIZ-UHFFFAOYSA-N 0 0 319.430 3.279 20 10 DGCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(F)c2[O-])CS1 ZINC000715768166 661214666 /nfs/dbraw/zinc/21/46/66/661214666.db2.gz CACVMFSXYQUIKQ-GMSGAONNSA-N 0 0 320.227 3.277 20 10 DGCDRN C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000328185132 656055638 /nfs/dbraw/zinc/05/56/38/656055638.db2.gz OITMHFVOAZCODW-LKFCYVNXSA-N 0 0 304.217 3.340 20 10 DGCDRN C/C(=C/c1ccc(C)cc1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000182502735 656106537 /nfs/dbraw/zinc/10/65/37/656106537.db2.gz OMYREKBZHRSHCC-KAMYIIQDSA-N 0 0 311.381 3.168 20 10 DGCDRN O=C(NCc1ccsc1)NCc1ccc(N2CCCC2)cc1 ZINC000048977159 656155876 /nfs/dbraw/zinc/15/58/76/656155876.db2.gz MCBLANVTCUGBCC-UHFFFAOYSA-N 0 0 315.442 3.348 20 10 DGCDRN CCC1=C(C(=O)N[C@H](C)c2cc(OC)ccc2O)CCCO1 ZINC000189553412 656155970 /nfs/dbraw/zinc/15/59/70/656155970.db2.gz YANWIIFYYLUKEK-LLVKDONJSA-N 0 0 305.374 3.053 20 10 DGCDRN C[C@@H](C1CC1)n1cc(NC(=O)N(C)Cc2ccccc2O)cn1 ZINC000189812158 656157363 /nfs/dbraw/zinc/15/73/63/656157363.db2.gz NEQBRECZANJMKO-LBPRGKRZSA-N 0 0 314.389 3.224 20 10 DGCDRN COc1cccc(/C=C2\SC(N3CCCCC3)=NC2=O)c1F ZINC000195502277 656212376 /nfs/dbraw/zinc/21/23/76/656212376.db2.gz ZGWAXUQXXKWQPW-RAXLEYEMSA-N 0 0 320.389 3.291 20 10 DGCDRN Cc1cc(Br)cc(CN2CCC(F)(F)C2)c1O ZINC000313306242 656267434 /nfs/dbraw/zinc/26/74/34/656267434.db2.gz CPNHCIIFTQIBSB-UHFFFAOYSA-N 0 0 306.150 3.304 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1C=CCC1 ZINC000883833202 661257324 /nfs/dbraw/zinc/25/73/24/661257324.db2.gz XBJIESNRFCQYTK-OAHLLOKOSA-N 0 0 301.434 3.250 20 10 DGCDRN CCc1ncsc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000162857996 656422611 /nfs/dbraw/zinc/42/26/11/656422611.db2.gz ZLBVCYSBLACSFP-UHFFFAOYSA-N 0 0 316.426 3.220 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(N)cc2Cl)cc1 ZINC000314871403 656533028 /nfs/dbraw/zinc/53/30/28/656533028.db2.gz GFUJFTWFSKYCFU-UHFFFAOYSA-N 0 0 317.820 3.260 20 10 DGCDRN C[C@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1O ZINC000228792505 656857624 /nfs/dbraw/zinc/85/76/24/656857624.db2.gz MTXOBJCILKRUEW-ZDUSSCGKSA-N 0 0 320.433 3.442 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Nc1ccccc1-n1cccn1 ZINC000047539342 657096238 /nfs/dbraw/zinc/09/62/38/657096238.db2.gz NQCDORHDTVBFOS-UHFFFAOYSA-N 0 0 322.368 3.242 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1c(Cl)cccc1Cl ZINC000158897665 657100137 /nfs/dbraw/zinc/10/01/37/657100137.db2.gz OFRYFTCIHCSVKM-UHFFFAOYSA-N 0 0 312.152 3.335 20 10 DGCDRN CCN(CC)c1ccc(CNc2cc(C(N)=O)ccc2F)cc1 ZINC000319663009 657121893 /nfs/dbraw/zinc/12/18/93/657121893.db2.gz GYEBIHBYGBXIJS-UHFFFAOYSA-N 0 0 315.392 3.383 20 10 DGCDRN CSc1cc(O)ccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000192155348 657416568 /nfs/dbraw/zinc/41/65/68/657416568.db2.gz AQODBYXKLLIWSX-UHFFFAOYSA-N 0 0 313.375 3.054 20 10 DGCDRN Oc1ccccc1CNc1cc(NCc2ccccc2O)ncn1 ZINC000095920814 657490421 /nfs/dbraw/zinc/49/04/21/657490421.db2.gz XTLGIBKGPXLOFA-UHFFFAOYSA-N 0 0 322.368 3.112 20 10 in-vitro DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)NCC1(C2CC2)CC1 ZINC000179113227 658138897 /nfs/dbraw/zinc/13/88/97/658138897.db2.gz XGRPLMWRPRHSPD-UHFFFAOYSA-N 0 0 313.445 3.276 20 10 DGCDRN C[C@H]1CCN(C(=O)NCCCSc2nccs2)C[C@H]1C ZINC000163410067 658318458 /nfs/dbraw/zinc/31/84/58/658318458.db2.gz DQSUJOTXLUUEPD-NWDGAFQWSA-N 0 0 313.492 3.313 20 10 DGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cc(CC)on1 ZINC000897682977 658483060 /nfs/dbraw/zinc/48/30/60/658483060.db2.gz DIPFCAAYGSPTDW-UHFFFAOYSA-N 0 0 302.374 3.385 20 10 DGCDRN Cc1cccc(OCCCNC(=O)CSc2nccs2)c1 ZINC000055069227 658912513 /nfs/dbraw/zinc/91/25/13/658912513.db2.gz DUGNQZACXHOTBC-UHFFFAOYSA-N 0 0 322.455 3.129 20 10 DGCDRN CC(=O)c1ccccc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000156334771 658913546 /nfs/dbraw/zinc/91/35/46/658913546.db2.gz KDKADCHUQYLXHU-UHFFFAOYSA-N 0 0 323.392 3.404 20 10 DGCDRN CC[C@@H]1COCCN1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000164359458 658929776 /nfs/dbraw/zinc/92/97/76/658929776.db2.gz UERIYNFNYOZCMI-CQSZACIVSA-N 0 0 307.434 3.309 20 10 DGCDRN CC(C)CCN(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000056876788 658993016 /nfs/dbraw/zinc/99/30/16/658993016.db2.gz XUSRIESRNPSHQS-UHFFFAOYSA-N 0 0 303.450 3.474 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2ccc[nH]c2=S)cc1 ZINC000057117693 659002752 /nfs/dbraw/zinc/00/27/52/659002752.db2.gz KEGUADCRZGFOLN-UHFFFAOYSA-N 0 0 315.442 3.147 20 10 DGCDRN CCNC(=O)c1cccc(NCc2cccc(Cl)c2O)c1 ZINC000158054902 659134362 /nfs/dbraw/zinc/13/43/62/659134362.db2.gz AKKGUKXVKHCUPA-UHFFFAOYSA-N 0 0 304.777 3.407 20 10 DGCDRN CCOc1ccc(O)c(CNc2cccc(-c3nc[nH]n3)c2)c1 ZINC000168757706 659149954 /nfs/dbraw/zinc/14/99/54/659149954.db2.gz DEPXASNOWBBZFH-UHFFFAOYSA-N 0 0 310.357 3.188 20 10 DGCDRN CO[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2[O-])C1(C)C ZINC000227830043 659165355 /nfs/dbraw/zinc/16/53/55/659165355.db2.gz CDVGKJBIKDFXNC-NWDGAFQWSA-N 0 0 314.223 3.058 20 10 DGCDRN COCC[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000060345352 659169813 /nfs/dbraw/zinc/16/98/13/659169813.db2.gz CLXKQFMZPMANTK-GFCCVEGCSA-N 0 0 318.392 3.388 20 10 DGCDRN CCOc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000060678562 659193286 /nfs/dbraw/zinc/19/32/86/659193286.db2.gz VRZINSYWLYJMLR-UHFFFAOYSA-N 0 0 312.413 3.424 20 10 DGCDRN CCOc1ccc(CN(C)C(=O)CSc2nccs2)cc1 ZINC000060760001 659200306 /nfs/dbraw/zinc/20/03/06/659200306.db2.gz QODFEAFLMYPDIP-UHFFFAOYSA-N 0 0 322.455 3.293 20 10 DGCDRN COc1cccc(CNC(=O)Nc2ccc(C)cc2OC)c1O ZINC000171530947 659285381 /nfs/dbraw/zinc/28/53/81/659285381.db2.gz PILRGQHQJMBXLS-UHFFFAOYSA-N 0 0 316.357 3.040 20 10 DGCDRN COc1ccc(O)c(CNC(=O)/C=C(\C)c2ccc(F)cc2)c1 ZINC000172042378 659311997 /nfs/dbraw/zinc/31/19/97/659311997.db2.gz BUPNQURIZSZLRB-FMIVXFBMSA-N 0 0 315.344 3.260 20 10 DGCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3cccc(C)c3)C2)cc1 ZINC000062574866 659336745 /nfs/dbraw/zinc/33/67/45/659336745.db2.gz TYQSWMFWOZEHAM-INIZCTEOSA-N 0 0 324.424 3.260 20 10 DGCDRN CC(C)CN(C(=O)NCc1ccc(N(C)C)c(F)c1)C(C)C ZINC000172653786 659348936 /nfs/dbraw/zinc/34/89/36/659348936.db2.gz YDTSPXANTWMPDH-UHFFFAOYSA-N 0 0 309.429 3.468 20 10 DGCDRN O=C(/C=C/c1cccnc1)N1CCOc2ccc(Cl)cc21 ZINC000172683843 659349659 /nfs/dbraw/zinc/34/96/59/659349659.db2.gz TWAHLNOFFCSXKD-ZZXKWVIFSA-N 0 0 300.745 3.174 20 10 DGCDRN C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000063191305 659370074 /nfs/dbraw/zinc/37/00/74/659370074.db2.gz JOHDIZRBJDHLHW-RNCFNFMXSA-N 0 0 303.233 3.401 20 10 DGCDRN C[C@@H]1CN(C)c2ccccc2N(C(=O)/C=C/c2cccnc2)C1 ZINC000173738030 659399958 /nfs/dbraw/zinc/39/99/58/659399958.db2.gz ZLIZWKQDPIMNHL-BOLDSZDNSA-N 0 0 307.397 3.214 20 10 DGCDRN O=C(CCC1CCOCC1)NCc1c(O)ccc2c1CCCC2 ZINC000174521705 659437671 /nfs/dbraw/zinc/43/76/71/659437671.db2.gz OZOYULGQMOCJEE-UHFFFAOYSA-N 0 0 317.429 3.094 20 10 DGCDRN COC(C)(C)C[C@H](C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000174554711 659439071 /nfs/dbraw/zinc/43/90/71/659439071.db2.gz QQRQSXKXCGBDHX-JTQLQIEISA-N 0 0 316.239 3.448 20 10 DGCDRN Oc1cc2c(cc1CNc1ccc(OC(F)F)cc1)OCO2 ZINC000238141023 659708542 /nfs/dbraw/zinc/70/85/42/659708542.db2.gz VMDGKTSNEUOZOT-UHFFFAOYSA-N 0 0 309.268 3.334 20 10 DGCDRN Cc1cccc2c(CCNC(=O)c3ccc(C)c(O)c3O)c[nH]c21 ZINC000179515192 659932128 /nfs/dbraw/zinc/93/21/28/659932128.db2.gz RKWHXGJFXLMKCW-UHFFFAOYSA-N 0 0 324.380 3.168 20 10 DGCDRN Nc1ccc(NC(=O)Cc2csc(Cc3ccccc3)n2)cc1 ZINC000237984290 659950936 /nfs/dbraw/zinc/95/09/36/659950936.db2.gz HGSIDXOBDUNCNS-UHFFFAOYSA-N 0 0 323.421 3.497 20 10 DGCDRN Cc1ccc(O)c(CN(C)CC(=O)Nc2cccc(Cl)c2)c1 ZINC000180114774 659952685 /nfs/dbraw/zinc/95/26/85/659952685.db2.gz VNIWUMWHEFILIN-UHFFFAOYSA-N 0 0 318.804 3.425 20 10 DGCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CC23CCCCC3)c1 ZINC000180565168 659965601 /nfs/dbraw/zinc/96/56/01/659965601.db2.gz AXIJARABQDEPPR-WBMJQRKESA-N 0 0 318.417 3.484 20 10 DGCDRN CCOCc1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000180738851 659969784 /nfs/dbraw/zinc/96/97/84/659969784.db2.gz RQPPUYUAABGUFF-VQHVLOKHSA-N 0 0 313.353 3.286 20 10 DGCDRN CC[C@H](c1ccncc1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181108583 659981225 /nfs/dbraw/zinc/98/12/25/659981225.db2.gz RUSSNRLKVYIQQS-KEDPEKRHSA-N 0 0 312.369 3.116 20 10 DGCDRN COc1ccc(F)cc1[C@@H](C)NC(=O)c1ccc(C)c(O)c1O ZINC000182118951 660035014 /nfs/dbraw/zinc/03/50/14/660035014.db2.gz DJAOFKRZYTVJDO-SNVBAGLBSA-N 0 0 319.332 3.045 20 10 DGCDRN CCn1ncc2ccc(NC(=O)c3ccc(C)c(O)c3O)cc21 ZINC000182251439 660039785 /nfs/dbraw/zinc/03/97/85/660039785.db2.gz YQXVBASPEZTPNX-UHFFFAOYSA-N 0 0 311.341 3.028 20 10 DGCDRN Cc1cc(N[C@H](C)Cc2ccc(O)c(O)c2)ccc1[N+](=O)[O-] ZINC000183599823 660125557 /nfs/dbraw/zinc/12/55/57/660125557.db2.gz WYYBFANGJWOCFN-LLVKDONJSA-N 0 0 302.330 3.358 20 10 DGCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1ccc([N+](=O)[O-])cc1F ZINC000183599525 660125650 /nfs/dbraw/zinc/12/56/50/660125650.db2.gz RLRUDXLGYKRIOI-SECBINFHSA-N 0 0 306.293 3.188 20 10 DGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2coc(C=O)c2)cc1 ZINC000929536347 661315911 /nfs/dbraw/zinc/31/59/11/661315911.db2.gz AICXNDMSYZRSIG-UHFFFAOYSA-N 0 0 314.385 3.211 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2cccc3c2CCOC3)cc1 ZINC000929534137 661315918 /nfs/dbraw/zinc/31/59/18/661315918.db2.gz ZYEIBELFSHXFHD-UHFFFAOYSA-N 0 0 324.424 3.098 20 10 DGCDRN COc1ccc(N2CCCN(C(=O)[C@]3(C)C=CCC3)CC2)cc1 ZINC000930310026 661387504 /nfs/dbraw/zinc/38/75/04/661387504.db2.gz QNJXJWUVTLSVGI-LJQANCHMSA-N 0 0 314.429 3.090 20 10 DGCDRN Cc1nnc(CCN(C)c2ccc(-c3nccs3)cc2)o1 ZINC000930709819 661423440 /nfs/dbraw/zinc/42/34/40/661423440.db2.gz IKHLZBDQXRCKJH-UHFFFAOYSA-N 0 0 300.387 3.180 20 10 DGCDRN CC(C)CCn1nccc1NC(=O)NCc1c(O)cccc1F ZINC000930947701 661441174 /nfs/dbraw/zinc/44/11/74/661441174.db2.gz SZIBQIGVLHBPNS-UHFFFAOYSA-N 0 0 320.368 3.096 20 10 DGCDRN CN1CCCc2cc(CNC(=O)c3cc4ncccc4o3)ccc21 ZINC000931152436 661457218 /nfs/dbraw/zinc/45/72/18/661457218.db2.gz QIKXQZKWGZJSNF-UHFFFAOYSA-N 0 0 321.380 3.140 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000931260813 661462590 /nfs/dbraw/zinc/46/25/90/661462590.db2.gz CXSBTWOCNYSWCO-VFFGBVLKSA-N 0 0 304.346 3.017 20 10 DGCDRN CCOc1ncc(C)cc1NC(=O)N1Cc2cccc(O)c2C1 ZINC000931582046 661490699 /nfs/dbraw/zinc/49/06/99/661490699.db2.gz AWFLCRHPKNZWNJ-UHFFFAOYSA-N 0 0 313.357 3.042 20 10 DGCDRN C[C@@H](C(=O)NCCCSc1nccs1)c1cccc(O)c1 ZINC000932686959 661591538 /nfs/dbraw/zinc/59/15/38/661591538.db2.gz OBBDJKWLAJUTSR-LLVKDONJSA-N 0 0 322.455 3.251 20 10 DGCDRN C[C@@H](NC(=O)N[C@](C)(C1CC1)C(F)(F)F)c1ccccc1O ZINC000933562631 661641181 /nfs/dbraw/zinc/64/11/81/661641181.db2.gz DDVCIDBTRPCTSN-YMTOWFKASA-N 0 0 316.323 3.483 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@@]1(c2ccccc2)CCCO1 ZINC000934704761 661728071 /nfs/dbraw/zinc/72/80/71/661728071.db2.gz IGTJTGSAJYNELA-IBGZPJMESA-N 0 0 311.381 3.057 20 10 DGCDRN CC(C)Cc1ccc(C(=O)NCc2ccc(O)c(O)c2)s1 ZINC000934943210 661750340 /nfs/dbraw/zinc/75/03/40/661750340.db2.gz GMAGQKNWEWVECL-UHFFFAOYSA-N 0 0 305.399 3.288 20 10 DGCDRN C[C@@H](NC(=O)c1cccc2c1CCOC2)c1ccc(N(C)C)cc1 ZINC000935465861 661788266 /nfs/dbraw/zinc/78/82/66/661788266.db2.gz UTBKYOALCNKJKE-CQSZACIVSA-N 0 0 324.424 3.316 20 10 DGCDRN CCO[C@H]1CCC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000155447500 661847105 /nfs/dbraw/zinc/84/71/05/661847105.db2.gz BRJYBWPTCLPVAT-LBPRGKRZSA-N 0 0 314.223 3.156 20 10 DGCDRN C[NH+](C)[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000156067261 661857337 /nfs/dbraw/zinc/85/73/37/661857337.db2.gz LOMXVAITJHESML-GFCCVEGCSA-N 0 0 303.233 3.225 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000044684727 661862649 /nfs/dbraw/zinc/86/26/49/661862649.db2.gz FOTXROZRYPWLMY-LLVKDONJSA-N 0 0 301.217 3.025 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)/C=C/c2cccc(F)c2)c1 ZINC000157821788 661868914 /nfs/dbraw/zinc/86/89/14/661868914.db2.gz OYVMKAMKKBGULV-LZGFCCKTSA-N 0 0 315.344 3.431 20 10 DGCDRN O=C(NCc1ccc(O)c(O)c1)c1cccc(Cl)c1Cl ZINC000159002720 661881505 /nfs/dbraw/zinc/88/15/05/661881505.db2.gz HRQGGZCNSQIJOW-UHFFFAOYSA-N 0 0 312.152 3.335 20 10 DGCDRN O=C1/C(=C/c2csc([N+](=O)[O-])c2)SC(=S)N1C1CC1 ZINC000048642774 661894011 /nfs/dbraw/zinc/89/40/11/661894011.db2.gz XRQIOHXDBPIZLX-BAQGIRSFSA-N 0 0 312.397 3.020 20 10 DGCDRN C[C@@H](Sc1nccs1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000048874184 661896582 /nfs/dbraw/zinc/89/65/82/661896582.db2.gz QLBDPMYFFCZSKJ-MRVPVSSYSA-N 0 0 309.372 3.171 20 10 DGCDRN CC[C@@H]1[C@H](C)CCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000188553717 661934529 /nfs/dbraw/zinc/93/45/29/661934529.db2.gz RITAOGBMYIREOS-IUODEOHRSA-N 0 0 307.413 3.222 20 10 DGCDRN CC[C@@H](C)CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000188921137 661953693 /nfs/dbraw/zinc/95/36/93/661953693.db2.gz HPSPYHSAWLVJCA-CQSZACIVSA-N 0 0 306.475 3.292 20 10 DGCDRN CO[C@@H]1CCCN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000076244566 661975309 /nfs/dbraw/zinc/97/53/09/661975309.db2.gz GFGDBMGXMWTAIR-CQSZACIVSA-N 0 0 318.442 3.407 20 10 DGCDRN COc1ccc(O)c(CNC(=O)N[C@H]2CCC[C@H](C)CC2)c1 ZINC000190551735 662036005 /nfs/dbraw/zinc/03/60/05/662036005.db2.gz ALJAQHTYOHGCII-JSGCOSHPSA-N 0 0 306.406 3.169 20 10 DGCDRN CCC1=C(C(=O)NCc2ccc3c(c2)CCCN3C)CCCO1 ZINC000190714074 662041559 /nfs/dbraw/zinc/04/15/59/662041559.db2.gz GEXQXLZFHIPPGT-UHFFFAOYSA-N 0 0 314.429 3.160 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1nccn1C ZINC000078488632 662071216 /nfs/dbraw/zinc/07/12/16/662071216.db2.gz LXHVQFRHDXLLCA-UHFFFAOYSA-N 0 0 322.412 3.066 20 10 DGCDRN Cc1ccccc1C[C@@H](CO)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000191573339 662072729 /nfs/dbraw/zinc/07/27/29/662072729.db2.gz ZHBRARDJTKXZJG-CJNGLKHVSA-N 0 0 303.377 3.094 20 10 DGCDRN C[C@@H]([NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1ccc(F)cc1[O-] ZINC000192689083 662108290 /nfs/dbraw/zinc/10/82/90/662108290.db2.gz IAXFMPLXHXSMSP-WDEREUQCSA-N 0 0 312.385 3.095 20 10 DGCDRN COc1ccc2ccc(O)c(CN3CCO[C@H](C(F)F)C3)c2c1 ZINC000193441961 662134081 /nfs/dbraw/zinc/13/40/81/662134081.db2.gz UMWKRCOIKNCXCU-INIZCTEOSA-N 0 0 323.339 3.020 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OCc1nccn1C ZINC000194103056 662157409 /nfs/dbraw/zinc/15/74/09/662157409.db2.gz DSKQWMISSVRMFZ-UHFFFAOYSA-N 0 0 315.398 3.246 20 10 DGCDRN Cc1ccc(F)c(N=C2NN=C(c3cccn3C)CS2)c1 ZINC000194549735 662168395 /nfs/dbraw/zinc/16/83/95/662168395.db2.gz MSPAYYZPNABDAX-UHFFFAOYSA-N 0 0 302.378 3.392 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)c2cc(C3CC3)on2)cc1 ZINC000194648492 662170436 /nfs/dbraw/zinc/17/04/36/662170436.db2.gz HSQVFNHDRGADSD-UHFFFAOYSA-N 0 0 313.401 3.328 20 10 DGCDRN CN(C)c1ccc(CNC(=O)c2csc(C3CC3)n2)cc1F ZINC000194845231 662174289 /nfs/dbraw/zinc/17/42/89/662174289.db2.gz DGJBFLRDKSDIPL-UHFFFAOYSA-N 0 0 319.405 3.156 20 10 DGCDRN Cc1cc(C(=O)NCCCCO)c(C)n1-c1cc(C)cc(C)c1 ZINC000195012542 662176867 /nfs/dbraw/zinc/17/68/67/662176867.db2.gz ADOMUBWJKBGLGA-UHFFFAOYSA-N 0 0 314.429 3.213 20 10 DGCDRN Cn1cc(CN2CCCc3cc(OC(F)(F)F)ccc32)cn1 ZINC000195072746 662177762 /nfs/dbraw/zinc/17/77/62/662177762.db2.gz UKSRDPYFNSZQOG-UHFFFAOYSA-N 0 0 311.307 3.272 20 10 DGCDRN COCc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000195462297 662190201 /nfs/dbraw/zinc/19/02/01/662190201.db2.gz ZFMCVFRLVOIMMZ-UHFFFAOYSA-N 0 0 312.413 3.282 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](C)C2)cc1 ZINC000195564987 662191588 /nfs/dbraw/zinc/19/15/88/662191588.db2.gz XRDZYKJJVANCLG-HNNXBMFYSA-N 0 0 303.450 3.474 20 10 DGCDRN Cc1cc(C(=O)N(C)CCO)c(C)n1-c1cccc(C(C)C)c1 ZINC000195670167 662192547 /nfs/dbraw/zinc/19/25/47/662192547.db2.gz MCGJPGSLJXVCAZ-UHFFFAOYSA-N 0 0 314.429 3.282 20 10 DGCDRN COC[C@@H](C)CNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000195698540 662192778 /nfs/dbraw/zinc/19/27/78/662192778.db2.gz MIFVMQRDIYTCGH-ZDUSSCGKSA-N 0 0 314.429 3.415 20 10 DGCDRN CC(C)[C@H]1CC[C@H](C(=O)NCCc2ccc(O)c(O)c2)CC1 ZINC000245651987 662237555 /nfs/dbraw/zinc/23/75/55/662237555.db2.gz COHDAWDHWVSCMX-SHTZXODSSA-N 0 0 305.418 3.219 20 10 DGCDRN CCOCCN(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000089222853 662238653 /nfs/dbraw/zinc/23/86/53/662238653.db2.gz LMWXNVQHEJYXOD-UHFFFAOYSA-N 0 0 300.402 3.203 20 10 DGCDRN Cc1cc(Br)cc(CN2C[C@@H](C)OC[C@H]2C)c1O ZINC000245856642 662242870 /nfs/dbraw/zinc/24/28/70/662242870.db2.gz NRYGLPVKANIVOX-GHMZBOCLSA-N 0 0 314.223 3.072 20 10 DGCDRN C[N@H+](Cc1ccccc1O)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000091956688 662324991 /nfs/dbraw/zinc/32/49/91/662324991.db2.gz QCJFYIRZZPAEOY-UHFFFAOYSA-N 0 0 322.748 3.291 20 10 DGCDRN C[C@@H]1CN(Cc2cc(Cl)ccc2O)CCN1CC(F)(F)F ZINC000092102927 662327046 /nfs/dbraw/zinc/32/70/46/662327046.db2.gz AYGMMFKAEZKOCY-SNVBAGLBSA-N 0 0 322.758 3.114 20 10 DGCDRN CC[C@@H]1CN(Cc2cc(Br)ccc2O)C[C@H](C)O1 ZINC000092486738 662332133 /nfs/dbraw/zinc/33/21/33/662332133.db2.gz LJWNGPQPPDATNA-GXFFZTMASA-N 0 0 314.223 3.154 20 10 DGCDRN CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000092707682 662334429 /nfs/dbraw/zinc/33/44/29/662334429.db2.gz IUDWHYHMGGAAIS-ZDUSSCGKSA-N 0 0 324.852 3.174 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc2cn[nH]c21 ZINC000248130696 662334770 /nfs/dbraw/zinc/33/47/70/662334770.db2.gz QFHBKNLETRVURH-UHFFFAOYSA-N 0 0 322.412 3.291 20 10 DGCDRN C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000248518044 662351357 /nfs/dbraw/zinc/35/13/57/662351357.db2.gz POFYIRWCXUABBK-HZSPNIEDSA-N 0 0 324.440 3.070 20 10 DGCDRN CCOC(=O)C1([N@H+](C)Cc2cccc(OC)c2O)CCCCC1 ZINC000093695004 662358766 /nfs/dbraw/zinc/35/87/66/662358766.db2.gz QPQQCBYOFDIJOK-UHFFFAOYSA-N 0 0 321.417 3.099 20 10 DGCDRN CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2nccs2)cc1 ZINC000133230844 685068220 /nfs/dbraw/zinc/06/82/20/685068220.db2.gz UIINVXWXNCSPFI-VIFPVBQESA-N 0 0 306.412 3.465 20 10 DGCDRN C[C@@H](NC(=O)c1cccs1)c1ccc(N2CCOCC2)cc1 ZINC000145452398 685086054 /nfs/dbraw/zinc/08/60/54/685086054.db2.gz VBAWHENDXLOGLM-CYBMUJFWSA-N 0 0 316.426 3.076 20 10 DGCDRN Cc1ccc(F)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000385833261 685174755 /nfs/dbraw/zinc/17/47/55/685174755.db2.gz XNYMVMHDXYSFKA-UHFFFAOYSA-N 0 0 300.377 3.472 20 10 DGCDRN CN(C)CC1([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCC1 ZINC000393487836 685217925 /nfs/dbraw/zinc/21/79/25/685217925.db2.gz QVXXCRIOAZRFDY-UHFFFAOYSA-N 0 0 303.233 3.273 20 10 DGCDRN CC[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)C[C@H](CC)O1 ZINC000398443518 685237331 /nfs/dbraw/zinc/23/73/31/685237331.db2.gz PVVYLNYPHWBXCQ-GJZGRUSLSA-N 0 0 309.381 3.123 20 10 DGCDRN O=C(NCc1ccccc1O)Nc1ccc(Br)cc1 ZINC000398491905 685237576 /nfs/dbraw/zinc/23/75/76/685237576.db2.gz YPBWZHYTZPMSTC-UHFFFAOYSA-N 0 0 321.174 3.476 20 10 DGCDRN Nc1ccc(OC(=O)c2cccc(C(=O)N3CCCCC3)c2)cc1 ZINC001580449957 1192027867 /nfs/dbraw/zinc/02/78/67/1192027867.db2.gz YKUHFEMFKAZTAM-UHFFFAOYSA-N 0 0 324.380 3.114 20 10 DGCDRN Cn1cnc(/C=C/C(=O)N2CCCc3cc(F)cc(Cl)c32)c1 ZINC001583658622 1192155319 /nfs/dbraw/zinc/15/53/19/1192155319.db2.gz HGOTWDHMICWICP-SNAWJCMRSA-N 0 0 319.767 3.205 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C ZINC001584094300 1192177834 /nfs/dbraw/zinc/17/78/34/1192177834.db2.gz FGOJOSHLMIJDNU-CJBAZIHXSA-N 0 0 314.473 3.400 20 10 DGCDRN CC(C)(C(=O)NCCCSc1nccs1)c1ccccn1 ZINC001585222570 1192250228 /nfs/dbraw/zinc/25/02/28/1192250228.db2.gz PBKJJXYTJHTZBO-UHFFFAOYSA-N 0 0 321.471 3.114 20 10 DGCDRN O=C(NCc1ccsc1C(F)(F)F)c1cccc(O)c1O ZINC001586761518 1192349213 /nfs/dbraw/zinc/34/92/13/1192349213.db2.gz ILDLJIQYLLZSML-UHFFFAOYSA-N 0 0 317.288 3.108 20 10 DGCDRN O=C(NCc1cc(O)ccc1O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC001593872967 1192640772 /nfs/dbraw/zinc/64/07/72/1192640772.db2.gz IOSQOZICKDGRTF-APHBMKBZSA-N 0 0 303.402 3.321 20 10 DGCDRN CCCN(Cc1ccc(F)cc1F)C(=O)c1cccc(O)c1O ZINC001594938300 1192650208 /nfs/dbraw/zinc/65/02/08/1192650208.db2.gz JUDSPYWSAIEPDQ-UHFFFAOYSA-N 0 0 321.323 3.428 20 10 DGCDRN O=C(CCCn1cccc1)NCc1ccc(N2CCCC2)cc1 ZINC001595435981 1192658683 /nfs/dbraw/zinc/65/86/83/1192658683.db2.gz OBPUYAFTEMAMKS-UHFFFAOYSA-N 0 0 311.429 3.185 20 10 DGCDRN CCc1cccc(N(C)C(=O)c2cn(C)nc2-c2cccnc2)c1 ZINC001596549487 1192697102 /nfs/dbraw/zinc/69/71/02/1192697102.db2.gz UWEWMLPPJRYKML-UHFFFAOYSA-N 0 0 320.396 3.321 20 10 DGCDRN CCCN(C)c1ccc(C(=O)NCc2c(O)cccc2F)cc1 ZINC001596911949 1192710381 /nfs/dbraw/zinc/71/03/81/1192710381.db2.gz JJCVQUVHDDSAMC-UHFFFAOYSA-N 0 0 316.376 3.308 20 10 DGCDRN CN(C(=O)/C=C/c1cn(C)cn1)c1ccc(-c2nccs2)cc1 ZINC001596779396 1192705795 /nfs/dbraw/zinc/70/57/95/1192705795.db2.gz SSVNEHWDGWTYMU-VMPITWQZSA-N 0 0 324.409 3.220 20 10 DGCDRN O=C(Nc1cccc(-c2nccs2)c1)c1cccc(O)c1O ZINC001596794330 1192705957 /nfs/dbraw/zinc/70/59/57/1192705957.db2.gz RBRAOTWPNTYGKU-UHFFFAOYSA-N 0 0 312.350 3.474 20 10 DGCDRN C[C@H](NC(=O)Nc1cccc2c1OCCO2)c1ccccc1O ZINC001670455841 1176141272 /nfs/dbraw/zinc/14/12/72/1176141272.db2.gz MOWZCXGHLDOLGH-NSHDSACASA-N 0 0 314.341 3.046 20 10 DGCDRN Cc1ccc(SCC(=O)NCc2c(O)cccc2O)c(C)c1 ZINC001597569833 1192737851 /nfs/dbraw/zinc/73/78/51/1192737851.db2.gz UNWWUUBSAYKHDY-UHFFFAOYSA-N 0 0 317.410 3.123 20 10 DGCDRN CCCc1cc(C(=O)NCc2c(O)ccc3ccccc32)[nH]n1 ZINC001597737217 1192744481 /nfs/dbraw/zinc/74/44/81/1192744481.db2.gz SLOJOUIBSXLCLK-UHFFFAOYSA-N 0 0 309.369 3.151 20 10 DGCDRN CCCc1n[nH]cc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001597736275 1192744675 /nfs/dbraw/zinc/74/46/75/1192744675.db2.gz AVCOHRBNLWOBBH-UHFFFAOYSA-N 0 0 309.369 3.151 20 10 DGCDRN CCN1CCN(C(=O)/C=C\c2scnc2C)c2ccccc21 ZINC000588518616 1177219777 /nfs/dbraw/zinc/21/97/77/1177219777.db2.gz ZYFJRVDDBTWWPB-HJWRWDBZSA-N 0 0 313.426 3.338 20 10 DGCDRN Cc1cc(C[N@@H+](C)C(C)(C)C(=O)[O-])ccc1N1CCCCC1 ZINC001600189219 1192801937 /nfs/dbraw/zinc/80/19/37/1192801937.db2.gz SJPBUQZLGDUAOS-UHFFFAOYSA-N 0 0 304.434 3.280 20 10 DGCDRN Cc1cc(Cl)nc(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)c1 ZINC001600220166 1192813420 /nfs/dbraw/zinc/81/34/20/1192813420.db2.gz LNLGHXDDWFFWDU-JTQLQIEISA-N 0 0 320.776 3.298 20 10 DGCDRN COc1ccc(C2CC2)cc1CNC(=O)Cc1ccc(N)cc1 ZINC001330924319 1178093480 /nfs/dbraw/zinc/09/34/80/1178093480.db2.gz ONXVDZWFGYUNTP-UHFFFAOYSA-N 0 0 310.397 3.014 20 10 DGCDRN O=C(CSc1ncc(Cl)s1)c1ccc(O)cc1O ZINC001641310973 1194848016 /nfs/dbraw/zinc/84/80/16/1194848016.db2.gz BSQYAOXPRSLAQF-UHFFFAOYSA-N 0 0 301.776 3.183 20 10 DGCDRN Cc1cc([C@@H](C)NC(=O)NCc2cc(C)ccc2O)c(C)o1 ZINC001331297904 1178178770 /nfs/dbraw/zinc/17/87/70/1178178770.db2.gz QVCKNZBKNNHFRE-GFCCVEGCSA-N 0 0 302.374 3.471 20 10 DGCDRN Cc1cccc(C[NH2+][C@H](C)[C@H](Cc2ccccc2)C(=O)[O-])c1O ZINC001600532642 1192868440 /nfs/dbraw/zinc/86/84/40/1192868440.db2.gz XNASOUTWKKAUJR-PBHICJAKSA-N 0 0 313.397 3.122 20 10 DGCDRN O=C([O-])[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C1CCC1 ZINC001331995900 1178332559 /nfs/dbraw/zinc/33/25/59/1178332559.db2.gz PVAIPDYVMVZURW-QGZVFWFLSA-N 0 0 302.418 3.020 20 10 DGCDRN C[C@@H]1CO[C@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC001332723331 1178483477 /nfs/dbraw/zinc/48/34/77/1178483477.db2.gz GAFBWZVIZLRKDW-YJBOKZPZSA-N 0 0 316.445 3.060 20 10 DGCDRN Cc1csc([C@H](C)[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)n1 ZINC001600654042 1192889441 /nfs/dbraw/zinc/88/94/41/1192889441.db2.gz DAGFMZSXJYAIJA-ZJUUUORDSA-N 0 0 306.387 3.267 20 10 DGCDRN Cc1cccc(N(CC(C)(C)C)C(=O)/C=C/c2cnccn2)n1 ZINC001333564242 1178627263 /nfs/dbraw/zinc/62/72/63/1178627263.db2.gz YMWYCDJODCUFHK-CMDGGOBGSA-N 0 0 310.401 3.273 20 10 DGCDRN O=C(CCNc1ccccc1)NCc1c(O)ccc2c1CCCC2 ZINC001333756514 1178668954 /nfs/dbraw/zinc/66/89/54/1178668954.db2.gz LZVIYRPNMLXEHR-UHFFFAOYSA-N 0 0 324.424 3.389 20 10 DGCDRN Cc1oc(C[N@@H+](C)Cc2cccc(Cl)c2[O-])cc1C(=O)[O-] ZINC001600843896 1192903787 /nfs/dbraw/zinc/90/37/87/1192903787.db2.gz YWCLRERCNAUKAU-UHFFFAOYSA-N 0 0 309.749 3.277 20 10 DGCDRN Cc1noc(C2(NCc3cc(Cl)cc(Cl)c3[O-])CC2)n1 ZINC001334343950 1178751383 /nfs/dbraw/zinc/75/13/83/1178751383.db2.gz AOMYQTUCTALKKY-UHFFFAOYSA-N 0 0 314.172 3.169 20 10 DGCDRN Nc1ccc(CN2CCO[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC001334774789 1178795108 /nfs/dbraw/zinc/79/51/08/1178795108.db2.gz OCPLWFMMERIERK-QGZVFWFLSA-N 0 0 302.805 3.496 20 10 DGCDRN Cn1c2ccc(F)cc2c(C[NH2+][C@@H]2CCCSC2)c1C(=O)[O-] ZINC001600902080 1192910047 /nfs/dbraw/zinc/91/00/47/1192910047.db2.gz POQWTCDTAIICRJ-LLVKDONJSA-N 0 0 322.405 3.001 20 10 DGCDRN Cc1ccc(O)c(CNS(=O)(=O)CCC2CCCCC2)c1 ZINC001334976540 1178837319 /nfs/dbraw/zinc/83/73/19/1178837319.db2.gz VQUIFUMKFKWSLS-UHFFFAOYSA-N 0 0 311.447 3.090 20 10 DGCDRN CCOC(=O)CN(CCCC(F)(F)F)Cc1ccccc1O ZINC001335500740 1178921860 /nfs/dbraw/zinc/92/18/60/1178921860.db2.gz UAPOFKZNAWDASF-UHFFFAOYSA-N 0 0 319.323 3.100 20 10 DGCDRN CCCOc1ccc(CNC(=O)NCc2ccc(N)cc2)cc1 ZINC001335679254 1178941488 /nfs/dbraw/zinc/94/14/88/1178941488.db2.gz XERWVFSCIACXKD-UHFFFAOYSA-N 0 0 313.401 3.057 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCOC(C)(C)C2)cc1 ZINC001335724049 1178945956 /nfs/dbraw/zinc/94/59/56/1178945956.db2.gz DZUUMGFRZUEHDL-INIZCTEOSA-N 0 0 318.461 3.354 20 10 DGCDRN Cc1c(C(=O)N2Cc3cccc(O)c3C2)cnn1C1CCCC1 ZINC001335796905 1178956737 /nfs/dbraw/zinc/95/67/37/1178956737.db2.gz SQWPCZNXRUWHKJ-UHFFFAOYSA-N 0 0 311.385 3.168 20 10 DGCDRN CN(C)c1ccc(CNC(=O)C2(Cc3ccc(O)cc3)CC2)cc1 ZINC001336059235 1178987888 /nfs/dbraw/zinc/98/78/88/1178987888.db2.gz DNTSZXDBXJRGSP-UHFFFAOYSA-N 0 0 324.424 3.097 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CC(C)(C)OC2(C)C)cc1F ZINC001336179070 1179000648 /nfs/dbraw/zinc/00/06/48/1179000648.db2.gz DQDXUUQCBOKBRS-ZDUSSCGKSA-N 0 0 322.424 3.102 20 10 DGCDRN C[C@@H](Nc1ccc(CCC(N)=O)cc1)c1ccc(N(C)C)cc1 ZINC001341874247 1179074843 /nfs/dbraw/zinc/07/48/43/1179074843.db2.gz CRHAKASPWCQSAY-CQSZACIVSA-N 0 0 311.429 3.344 20 10 DGCDRN Cc1cc2c(c(F)c1)C[C@@H](C(=O)N[C@@H](C)c1ccccc1O)N2 ZINC001342404240 1179138204 /nfs/dbraw/zinc/13/82/04/1179138204.db2.gz FHWIRWIFIQFLNM-ZBEGNZNMSA-N 0 0 314.360 3.054 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N1C[C@H](C)[C@H](C)[C@H]1C ZINC001342569384 1179154722 /nfs/dbraw/zinc/15/47/22/1179154722.db2.gz MEELZKOCGUVNCA-GARJFASQSA-N 0 0 306.435 3.213 20 10 DGCDRN COc1ccc(NCc2ccc(OC)c(OC)c2O)cc1F ZINC001342864846 1179200707 /nfs/dbraw/zinc/20/07/07/1179200707.db2.gz SKLLAEAASKAUHX-UHFFFAOYSA-N 0 0 307.321 3.169 20 10 DGCDRN O=C([O-])CCC[N@H+](Cc1ccccc1)Cc1cc(F)ccc1O ZINC001601990281 1192955061 /nfs/dbraw/zinc/95/50/61/1192955061.db2.gz YKZKVBVOXQOXKV-UHFFFAOYSA-N 0 0 317.360 3.398 20 10 DGCDRN O=C([O-])C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CC=CCC1 ZINC001602056950 1192957616 /nfs/dbraw/zinc/95/76/16/1192957616.db2.gz FAQZICMYAKFJFF-GFCCVEGCSA-N 0 0 309.793 3.289 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)CC1CCC1 ZINC001345746124 1179602802 /nfs/dbraw/zinc/60/28/02/1179602802.db2.gz APUHWQDIRJFSHA-HNNXBMFYSA-N 0 0 317.477 3.434 20 10 DGCDRN CCC(CC)[C@@H]1C[C@H](NC(=O)NCc2ccc(N)cc2)CCO1 ZINC001346406534 1179695643 /nfs/dbraw/zinc/69/56/43/1179695643.db2.gz XVKZAZIEALRNFR-SJORKVTESA-N 0 0 319.449 3.052 20 10 DGCDRN CN(Cc1ccccc1O)c1nnc(C(C)(C)F)n1CC1CC1 ZINC001346554429 1179719336 /nfs/dbraw/zinc/71/93/36/1179719336.db2.gz PEARMCAQPJCRKL-UHFFFAOYSA-N 0 0 318.396 3.235 20 10 DGCDRN CCO[C@@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)C(C)C ZINC001349120118 1179874363 /nfs/dbraw/zinc/87/43/63/1179874363.db2.gz XJZMMIJXCMHEBP-GOSISDBHSA-N 0 0 318.461 3.306 20 10 DGCDRN CCN(CC)C(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC001349803339 1179954060 /nfs/dbraw/zinc/95/40/60/1179954060.db2.gz AOIAXIHEEPSIRA-UHFFFAOYSA-N 0 0 314.429 3.397 20 10 DGCDRN COc1ccc(N2CCC(Nc3nc(C)ncc3C)CC2)cc1 ZINC001349867505 1179968167 /nfs/dbraw/zinc/96/81/67/1179968167.db2.gz OKEOOCGUTXBGCX-UHFFFAOYSA-N 0 0 312.417 3.183 20 10 DGCDRN Oc1ccccc1CNc1cc(Cl)nc([C@@H]2CCCO2)n1 ZINC001349970029 1179988454 /nfs/dbraw/zinc/98/84/54/1179988454.db2.gz NYLIBXXQGXBTHY-LBPRGKRZSA-N 0 0 305.765 3.299 20 10 DGCDRN CC[C@H](C)[C@H](OC)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001351164074 1180181839 /nfs/dbraw/zinc/18/18/39/1180181839.db2.gz SVWRWPPVHPNJFQ-YJBOKZPZSA-N 0 0 318.461 3.306 20 10 DGCDRN Cc1cc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)ns1 ZINC001351672727 1180236517 /nfs/dbraw/zinc/23/65/17/1180236517.db2.gz GSCFQRZRXHERFG-UHFFFAOYSA-N 0 0 315.442 3.324 20 10 DGCDRN CC[C@@H]1CC[C@@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)O1 ZINC001352614316 1180370010 /nfs/dbraw/zinc/37/00/10/1180370010.db2.gz AGNBSQMZRNAVER-MSOLQXFVSA-N 0 0 316.445 3.203 20 10 DGCDRN O=C(NCc1cccc(O)c1O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001352657286 1180376436 /nfs/dbraw/zinc/37/64/36/1180376436.db2.gz BUJMCKFORFOVPU-KOLCDFICSA-N 0 0 317.307 3.083 20 10 DGCDRN Nc1ccc(CN2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1 ZINC001352789009 1180400311 /nfs/dbraw/zinc/40/03/11/1180400311.db2.gz UAFGRYZNCPNVST-QGZVFWFLSA-N 0 0 304.340 3.121 20 10 DGCDRN CN(C)c1ccc(CC[NH2+]Cc2ccc(F)c(F)c2[O-])cc1 ZINC001352850342 1180409817 /nfs/dbraw/zinc/40/98/17/1180409817.db2.gz XNRFVSJMWGVJQL-UHFFFAOYSA-N 0 0 306.356 3.069 20 10 DGCDRN Cc1cc(C[NH2+]Cc2cc(C)cc(Br)c2[O-])on1 ZINC001200244659 1180480153 /nfs/dbraw/zinc/48/01/53/1180480153.db2.gz WFMAHTYJXZUJNS-UHFFFAOYSA-N 0 0 311.179 3.049 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)C1(Cc2ccc(O)cc2)CC1 ZINC001353611036 1180605820 /nfs/dbraw/zinc/60/58/20/1180605820.db2.gz UWELXVAMCUHSRX-UHFFFAOYSA-N 0 0 311.381 3.079 20 10 DGCDRN Cc1cnc(Cl)cc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001354414212 1180790349 /nfs/dbraw/zinc/79/03/49/1180790349.db2.gz LYRBCNQRCKZWEH-UHFFFAOYSA-N 0 0 317.820 3.382 20 10 DGCDRN Fc1cc(F)cc(NC(=S)NCc2cccc3ccnn32)c1 ZINC001200678742 1180811860 /nfs/dbraw/zinc/81/18/60/1180811860.db2.gz UPOFZHFVZJFAHP-UHFFFAOYSA-N 0 0 318.352 3.099 20 10 DGCDRN Oc1ccc(O)c(CNc2ncnc3c4ccccc4oc32)c1 ZINC001472869121 1180931169 /nfs/dbraw/zinc/93/11/69/1180931169.db2.gz MRDCDZAOGASXCY-UHFFFAOYSA-N 0 0 307.309 3.399 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H]2OC(C)(C)C)cc1 ZINC001355015089 1180962374 /nfs/dbraw/zinc/96/23/74/1180962374.db2.gz JPFUZMZSIJOVJU-IAGOWNOFSA-N 0 0 318.461 3.353 20 10 DGCDRN CC(C)Oc1ccnc(CNC(=S)Nc2ccccc2)c1 ZINC001200848907 1180968278 /nfs/dbraw/zinc/96/82/78/1180968278.db2.gz HRERDUISXYITKB-UHFFFAOYSA-N 0 0 301.415 3.355 20 10 DGCDRN COc1ccc([C@H](NC(=O)Cc2ccc(N)cc2)C2CCC2)cc1 ZINC001355144429 1180996185 /nfs/dbraw/zinc/99/61/85/1180996185.db2.gz ASIKQSPQSJFGDO-HXUWFJFHSA-N 0 0 324.424 3.478 20 10 DGCDRN COc1ccc(N(C)C(=O)/C=C/c2cccnc2C)cc1F ZINC001355872980 1181106636 /nfs/dbraw/zinc/10/66/36/1181106636.db2.gz XDRPWPHANJETTB-RMKNXTFCSA-N 0 0 300.333 3.214 20 10 DGCDRN CCCN(C)C(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC001356079577 1181136969 /nfs/dbraw/zinc/13/69/69/1181136969.db2.gz MGLDSTNSVHFTIL-UHFFFAOYSA-N 0 0 314.429 3.397 20 10 DGCDRN CCn1c(C2SC=CC2=O)nnc1N(C)Cc1ccc(C)o1 ZINC001356278411 1181169368 /nfs/dbraw/zinc/16/93/68/1181169368.db2.gz PUPIWCNAGKPKEC-UHFFFAOYSA-N 0 0 318.402 3.270 20 10 DGCDRN CC1CC(C[NH2+]Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C1 ZINC001604661842 1193086810 /nfs/dbraw/zinc/08/68/10/1193086810.db2.gz CAWTUQZIHNYNKB-UHFFFAOYSA-N 0 0 304.365 3.151 20 10 DGCDRN CC1(C)C[C@H](NC(=O)NCc2ccc(N)cc2)c2ccccc21 ZINC001357667238 1181416638 /nfs/dbraw/zinc/41/66/38/1181416638.db2.gz BMZUGWPMUAAJBD-KRWDZBQOSA-N 0 0 309.413 3.491 20 10 DGCDRN Nc1ccc(CNC(=O)N2CC[C@@H](C3CCCCC3)C2)cc1 ZINC001357792484 1181428295 /nfs/dbraw/zinc/42/82/95/1181428295.db2.gz ZAMJUDGEWLWUNB-MRXNPFEDSA-N 0 0 301.434 3.381 20 10 DGCDRN CC[C@@H](CC(F)(F)F)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001604983744 1193104102 /nfs/dbraw/zinc/10/41/02/1193104102.db2.gz MVZUOTGZAKAFKF-SCZZXKLOSA-N 0 0 305.296 3.472 20 10 DGCDRN CC[C@@](C[NH2+]Cc1cc(C)ccc1O)(C(=O)[O-])c1ccccc1 ZINC001605040479 1193107918 /nfs/dbraw/zinc/10/79/18/1193107918.db2.gz OWDWUHIMFDJWKP-IBGZPJMESA-N 0 0 313.397 3.223 20 10 DGCDRN C/C(=C/c1cccnc1)C(=O)N1C[C@@H](C)C(=O)Nc2ccccc21 ZINC001360533734 1181625818 /nfs/dbraw/zinc/62/58/18/1181625818.db2.gz JFCWAOHUTXCKDC-QLKUMGTLSA-N 0 0 321.380 3.106 20 10 DGCDRN Cc1cc(Cl)cc2c1N(C(=O)/C=C/c1cn(C)cn1)CCC2 ZINC001360885466 1181635673 /nfs/dbraw/zinc/63/56/73/1181635673.db2.gz IRBWPBOXXZODEU-AATRIKPKSA-N 0 0 315.804 3.375 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)c2c[nH]nc2-c2ccco2)cc1 ZINC001440664666 1182044084 /nfs/dbraw/zinc/04/40/84/1182044084.db2.gz VJJRENNZNXNCDP-UHFFFAOYSA-N 0 0 324.384 3.008 20 10 DGCDRN CN(C)c1ccc(CNC(=O)[C@H](O)C2CCCCCCC2)cc1 ZINC001440649736 1182044551 /nfs/dbraw/zinc/04/45/51/1182044551.db2.gz XHGAURYCSQWMQA-GOSISDBHSA-N 0 0 318.461 3.090 20 10 DGCDRN C[C@H](c1ccncc1)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001442610406 1182085441 /nfs/dbraw/zinc/08/54/41/1182085441.db2.gz LPFHNRWWBCLWOH-LLVKDONJSA-N 0 0 311.345 3.077 20 10 DGCDRN COc1cccc(SC)c1NC(=O)Cc1ccc(O)c(O)c1 ZINC001451693506 1182273497 /nfs/dbraw/zinc/27/34/97/1182273497.db2.gz FVIPNSHUGWQLND-UHFFFAOYSA-N 0 0 319.382 3.010 20 10 DGCDRN C[C@@H](Cc1cccc(Cl)c1)C(=O)NCc1ccc(O)cc1O ZINC001451770134 1182274926 /nfs/dbraw/zinc/27/49/26/1182274926.db2.gz PCMQSEATQJSLHL-NSHDSACASA-N 0 0 319.788 3.246 20 10 DGCDRN CC(C)n1cccc1C(=O)NCc1ccc2cccnc2c1O ZINC001451944905 1182277776 /nfs/dbraw/zinc/27/77/76/1182277776.db2.gz ABHMEJRDHFUGEY-UHFFFAOYSA-N 0 0 309.369 3.253 20 10 DGCDRN CC[N@@H+](Cc1c(O)c(C(=O)[O-])cc2ccccc21)C[C@@H](C)OC ZINC001605454447 1193152627 /nfs/dbraw/zinc/15/26/27/1193152627.db2.gz PSEPRPSLKMEVHL-GFCCVEGCSA-N 0 0 317.385 3.100 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)c1csc(Cl)n1 ZINC001452935358 1182305138 /nfs/dbraw/zinc/30/51/38/1182305138.db2.gz FVHJFDCOWHOQHA-UHFFFAOYSA-N 0 0 303.170 3.086 20 10 DGCDRN Cc1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1[N+](=O)[O-] ZINC001452941652 1182305620 /nfs/dbraw/zinc/30/56/20/1182305620.db2.gz GSZLSANXNRBODO-UHFFFAOYSA-N 0 0 320.732 3.192 20 10 DGCDRN CO[C@@H](C(=O)NCc1cc(Cl)ccc1O)c1ccccc1 ZINC001452934500 1182305823 /nfs/dbraw/zinc/30/58/23/1182305823.db2.gz BHXMBGNFIOPANN-OAHLLOKOSA-N 0 0 305.761 3.050 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)COc2ccc(Cl)c(C)c2)c1 ZINC001453648258 1182322069 /nfs/dbraw/zinc/32/20/69/1182322069.db2.gz FSZPVTHNUBHSCP-UHFFFAOYSA-N 0 0 319.788 3.358 20 10 DGCDRN CC[C@](C)(O)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001454623857 1182349020 /nfs/dbraw/zinc/34/90/20/1182349020.db2.gz IYIOOLHITZQIJU-IBGZPJMESA-N 0 0 314.429 3.180 20 10 DGCDRN O=C(c1cccc(Cl)c1[N+](=O)[O-])N1Cc2cccc(O)c2C1 ZINC001455038057 1182358756 /nfs/dbraw/zinc/35/87/56/1182358756.db2.gz WZWVBEXMCMRLNG-UHFFFAOYSA-N 0 0 318.716 3.110 20 10 DGCDRN O=C(CCc1ccc(Cl)s1)NCc1cccc(O)c1O ZINC001455319756 1182366465 /nfs/dbraw/zinc/36/64/65/1182366465.db2.gz SLRKFPPXUZDDDO-UHFFFAOYSA-N 0 0 311.790 3.062 20 10 DGCDRN CC(C)c1oncc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001455737542 1182381156 /nfs/dbraw/zinc/38/11/56/1182381156.db2.gz NSSPVBMATMMGRY-UHFFFAOYSA-N 0 0 301.306 3.213 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1[nH]ccc1-c1ccccc1 ZINC001456030982 1182395063 /nfs/dbraw/zinc/39/50/63/1182395063.db2.gz URCBZCNNYKNUGO-UHFFFAOYSA-N 0 0 310.328 3.456 20 10 DGCDRN CC1(C)CO[C@@H](CC(=O)NCc2c(O)ccc3ccccc32)C1 ZINC001456310155 1182410008 /nfs/dbraw/zinc/41/00/08/1182410008.db2.gz OVCHJRYUCNNZNH-AWEZNQCLSA-N 0 0 313.397 3.367 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2CCC(C)(F)CC2)c([N+](=O)[O-])c1 ZINC001458512399 1182533719 /nfs/dbraw/zinc/53/37/19/1182533719.db2.gz ANTFKXBRUQLMHA-XQRVVYSFSA-N 0 0 322.336 3.109 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001461128921 1182771819 /nfs/dbraw/zinc/77/18/19/1182771819.db2.gz LEWYDRWVXNRCMN-UHFFFAOYSA-N 0 0 307.752 3.409 20 10 DGCDRN Cc1ccc(CNc2ccc(C3CC3)c(-c3nn[nH]n3)c2)c(O)c1 ZINC001605856283 1193180964 /nfs/dbraw/zinc/18/09/64/1193180964.db2.gz KDXNGIBFGFCHHS-UHFFFAOYSA-N 0 0 321.384 3.370 20 10 DGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCCNc1ccccn1 ZINC001461262326 1182788500 /nfs/dbraw/zinc/78/85/00/1182788500.db2.gz JIZCTXHAAJTRTA-UHFFFAOYSA-N 0 0 309.772 3.172 20 10 DGCDRN CN(C)c1ccc(/C=C\CNc2cccc(-n3ccnn3)c2)cc1 ZINC001461348061 1182798922 /nfs/dbraw/zinc/79/89/22/1182798922.db2.gz WKZVHUSUVSHWKC-PLNGDYQASA-N 0 0 319.412 3.459 20 10 DGCDRN Cc1cc(C(N)=O)ccc1NCc1c(O)ccc(Cl)c1F ZINC001461789437 1182855058 /nfs/dbraw/zinc/85/50/58/1182855058.db2.gz JZGSJRJCBQAOOV-UHFFFAOYSA-N 0 0 308.740 3.204 20 10 DGCDRN [O-]c1c(F)cc(F)cc1CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC001461866872 1182867873 /nfs/dbraw/zinc/86/78/73/1182867873.db2.gz CDJIRAOSXVIHAF-OAHLLOKOSA-N 0 0 310.388 3.121 20 10 DGCDRN CC[N@@H+]1C[C@H](C)N(Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1C ZINC001461936691 1182880085 /nfs/dbraw/zinc/88/00/85/1182880085.db2.gz KDQJLQLMOZYVBQ-QWRGUYRKSA-N 0 0 300.805 3.099 20 10 DGCDRN CCc1oc(C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1C(=O)[O-] ZINC001605891830 1193183191 /nfs/dbraw/zinc/18/31/91/1193183191.db2.gz IQJHPZFCZGCCHN-SNVBAGLBSA-N 0 0 319.357 3.105 20 10 DGCDRN CCc1cccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1O ZINC001462009745 1182896016 /nfs/dbraw/zinc/89/60/16/1182896016.db2.gz PRXJYFSOVHAGQQ-UHFFFAOYSA-N 0 0 320.433 3.007 20 10 DGCDRN CCC1CCC([N@H+](CCO)Cc2cc(F)c(F)cc2[O-])CC1 ZINC001462183595 1182920677 /nfs/dbraw/zinc/92/06/77/1182920677.db2.gz KXBAYQDIFHYVBR-UHFFFAOYSA-N 0 0 313.388 3.434 20 10 DGCDRN COC[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC001462189597 1182920814 /nfs/dbraw/zinc/92/08/14/1182920814.db2.gz OGJKTXWTCRRFRB-HNNXBMFYSA-N 0 0 321.367 3.360 20 10 DGCDRN Cc1ccc(CNc2ccc(-c3cnn(C)c3)c(C)n2)c(O)c1 ZINC001462268187 1182931528 /nfs/dbraw/zinc/93/15/28/1182931528.db2.gz UYQMZLRPEIPHPV-UHFFFAOYSA-N 0 0 308.385 3.417 20 10 DGCDRN C[NH+](C)[C@H]1CCc2ccccc2N(Cc2cccc(F)c2O)C1 ZINC001462425360 1182950355 /nfs/dbraw/zinc/95/03/55/1182950355.db2.gz JGTBFOPDCORZFX-INIZCTEOSA-N 0 0 314.404 3.414 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@@H](c2ccc(O)cc2)C1 ZINC001462485462 1182959866 /nfs/dbraw/zinc/95/98/66/1182959866.db2.gz ZVPLRXICADQQIB-GFCCVEGCSA-N 0 0 305.324 3.366 20 10 DGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC001462521131 1182963832 /nfs/dbraw/zinc/96/38/32/1182963832.db2.gz HWZALVIRWUQRAZ-UWVGGRQHSA-N 0 0 301.814 3.370 20 10 DGCDRN COCCOC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC001464199205 1183076629 /nfs/dbraw/zinc/07/66/29/1183076629.db2.gz XTIAORVAVQIDRP-UHFFFAOYSA-N 0 0 316.401 3.009 20 10 DGCDRN C[C@H](NC(=O)Nc1cccc(-n2cccn2)c1)c1ccccc1O ZINC001464895654 1183119783 /nfs/dbraw/zinc/11/97/83/1183119783.db2.gz PPFRGAOSJIJAEH-ZDUSSCGKSA-N 0 0 322.368 3.461 20 10 DGCDRN CC(C)c1ccc(C(=O)NCc2cccc(Cl)c2O)nc1 ZINC001606860797 1193206091 /nfs/dbraw/zinc/20/60/91/1193206091.db2.gz UGSVFBZMHGMXNN-UHFFFAOYSA-N 0 0 304.777 3.494 20 10 DGCDRN Cc1ccc2c(c1)C=C(C(=O)N(C)Cc1ccccc1O)CO2 ZINC001465844830 1183172592 /nfs/dbraw/zinc/17/25/92/1183172592.db2.gz XAMXYGABJWWLCT-UHFFFAOYSA-N 0 0 309.365 3.135 20 10 DGCDRN O=C(NCCc1ccc(O)c(O)c1)c1cscc1C(F)F ZINC001465981370 1183180974 /nfs/dbraw/zinc/18/09/74/1183180974.db2.gz LOICYHRJUCSRJH-UHFFFAOYSA-N 0 0 313.325 3.069 20 10 DGCDRN CC[C@H](NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C)[C@H](C)O ZINC001467991498 1183302338 /nfs/dbraw/zinc/30/23/38/1183302338.db2.gz LTHSTNJXBQGWAX-YJBOKZPZSA-N 0 0 314.429 3.292 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC001468744507 1183354712 /nfs/dbraw/zinc/35/47/12/1183354712.db2.gz SZTYFLRNGFASFX-RRQGHBQHSA-N 0 0 301.434 3.049 20 10 DGCDRN Cc1ccc(CC(C)(C)NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001469144102 1183385461 /nfs/dbraw/zinc/38/54/61/1183385461.db2.gz ONEWWDHANZFQNU-UHFFFAOYSA-N 0 0 313.397 3.086 20 10 DGCDRN O=C(/C=C/c1ccc(Cl)cc1)NCc1ccc(O)cc1O ZINC001469161148 1183387230 /nfs/dbraw/zinc/38/72/30/1183387230.db2.gz HNJQPBNAJCYVSC-FPYGCLRLSA-N 0 0 303.745 3.081 20 10 DGCDRN C[C@@H](CNC(=O)NCc1c(O)cccc1F)c1ccccc1 ZINC001469730345 1183432687 /nfs/dbraw/zinc/43/26/87/1183432687.db2.gz UZULEFIYZCEKTP-LBPRGKRZSA-N 0 0 302.349 3.134 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cnccc2C(F)(F)F)c1 ZINC001470255172 1183473598 /nfs/dbraw/zinc/47/35/98/1183473598.db2.gz RRIFRZSHMNQKDZ-UHFFFAOYSA-N 0 0 310.275 3.044 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC1=CCCC1 ZINC001470555087 1183496316 /nfs/dbraw/zinc/49/63/16/1183496316.db2.gz AUGCYLZPKATSSX-OAHLLOKOSA-N 0 0 315.461 3.402 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCCc2ccc(C)c(C)c2)c1 ZINC001470749936 1183511088 /nfs/dbraw/zinc/51/10/88/1183511088.db2.gz WEQWDPNNJLFNPF-UHFFFAOYSA-N 0 0 312.413 3.359 20 10 DGCDRN C=CC(=O)Nc1cccc(C(=O)N[C@H](C)c2ccccc2O)c1 ZINC001471195072 1183545642 /nfs/dbraw/zinc/54/56/42/1183545642.db2.gz AWCFZFDBPSVLBO-GFCCVEGCSA-N 0 0 310.353 3.008 20 10 DGCDRN C[C@H](NC(=O)[C@H](c1ccccc1)n1cccn1)c1ccccc1O ZINC001471194409 1183545661 /nfs/dbraw/zinc/54/56/61/1183545661.db2.gz JZPJMRDTFBPEQK-KSSFIOAISA-N 0 0 321.380 3.056 20 10 DGCDRN CCOc1c(F)cccc1C(=O)N1Cc2cccc(O)c2C1 ZINC001471355618 1183558768 /nfs/dbraw/zinc/55/87/68/1183558768.db2.gz NJTHRHBXVWIWCS-UHFFFAOYSA-N 0 0 301.317 3.086 20 10 DGCDRN Cc1ccc(C)c(SCC(=O)NCc2cccc(O)c2O)c1 ZINC001471642880 1183580386 /nfs/dbraw/zinc/58/03/86/1183580386.db2.gz AXKCBOKSUPUEBQ-UHFFFAOYSA-N 0 0 317.410 3.123 20 10 DGCDRN C[C@H](C(=O)NCc1c(O)cccc1F)c1ccc(F)cc1F ZINC001471976255 1183603965 /nfs/dbraw/zinc/60/39/65/1183603965.db2.gz USWBHGVVZGNHFO-VIFPVBQESA-N 0 0 309.287 3.229 20 10 DGCDRN O=C(NCc1c(O)cccc1F)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC001471975801 1183604554 /nfs/dbraw/zinc/60/45/54/1183604554.db2.gz HXHJRZAJCAXQPF-PWSUYJOCSA-N 0 0 321.298 3.229 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1[nH]c2ccccc2c1Cl ZINC001472063719 1183612427 /nfs/dbraw/zinc/61/24/27/1183612427.db2.gz OMNVNNWOSDICTC-UHFFFAOYSA-N 0 0 316.744 3.163 20 10 DGCDRN CCc1ncsc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001472084695 1183614613 /nfs/dbraw/zinc/61/46/13/1183614613.db2.gz BZJIIPXDRFMNGP-UHFFFAOYSA-N 0 0 312.394 3.494 20 10 DGCDRN COc1cccc(F)c1C(=O)NCc1cccc(Cl)c1O ZINC001472316817 1183634148 /nfs/dbraw/zinc/63/41/48/1183634148.db2.gz ILRYOGDXNSFTJX-UHFFFAOYSA-N 0 0 309.724 3.123 20 10 DGCDRN O=C(NCc1cccc(C(F)F)c1)c1c(F)ccc(O)c1O ZINC001472545526 1183651850 /nfs/dbraw/zinc/65/18/50/1183651850.db2.gz KKJVRIBIXHRVTQ-UHFFFAOYSA-N 0 0 311.259 3.105 20 10 DGCDRN Cc1ccc2c(c1)[C@H](NC(=O)c1c(F)ccc(O)c1O)CCC2 ZINC001472568974 1183652840 /nfs/dbraw/zinc/65/28/40/1183652840.db2.gz MFYOJMMHJNHCMV-CQSZACIVSA-N 0 0 315.344 3.353 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1ncnc2[nH]ccc21 ZINC001472808265 1183684384 /nfs/dbraw/zinc/68/43/84/1183684384.db2.gz MLCWBYFULICRQQ-CYBMUJFWSA-N 0 0 309.417 3.375 20 10 DGCDRN CCOC(=O)c1cnc(Sc2nc(C(C)(C)C)c[nH]2)s1 ZINC001472848588 1183689465 /nfs/dbraw/zinc/68/94/65/1183689465.db2.gz OWQDNPAJKGGZFY-UHFFFAOYSA-N 0 0 311.432 3.492 20 10 DGCDRN CCc1cc(N[C@@H](C)c2ccccc2O)nc(-c2ccncc2)n1 ZINC001472856375 1183691211 /nfs/dbraw/zinc/69/12/11/1183691211.db2.gz UESJQLARECZNRQ-ZDUSSCGKSA-N 0 0 320.396 3.402 20 10 DGCDRN Cc1cc(O)c(CNCc2cn3ccccc3n2)c(Cl)c1 ZINC001473916134 1183827308 /nfs/dbraw/zinc/82/73/08/1183827308.db2.gz BHFXSEGPJYJSSP-UHFFFAOYSA-N 0 0 301.777 3.292 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccc(NC(N)=O)cc1 ZINC001473996497 1183847082 /nfs/dbraw/zinc/84/70/82/1183847082.db2.gz VUYGBCFUWWQUOR-VIFPVBQESA-N 0 0 321.327 3.012 20 10 DGCDRN CCS[C@@H]1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001474038133 1183856470 /nfs/dbraw/zinc/85/64/70/1183856470.db2.gz LRXBBEDUMGSERO-TZMCWYRMSA-N 0 0 310.419 3.454 20 10 DGCDRN Cc1cc(O)c(C[NH2+]Cc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC001607700105 1193249485 /nfs/dbraw/zinc/24/94/85/1193249485.db2.gz SOPPEUZYEPLWIK-UHFFFAOYSA-N 0 0 305.761 3.342 20 10 DGCDRN Cc1cc(O)c(C[NH+]2CCC(CCC(=O)[O-])CC2)cc1Cl ZINC001607700075 1193249512 /nfs/dbraw/zinc/24/95/12/1193249512.db2.gz RPBVKEFAOSJAJH-UHFFFAOYSA-N 0 0 311.809 3.431 20 10 DGCDRN Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001474330737 1183905045 /nfs/dbraw/zinc/90/50/45/1183905045.db2.gz FJFWKWFHZSQAIU-OAHLLOKOSA-N 0 0 307.344 3.049 20 10 DGCDRN COc1c([O-])c(C[N@@H+]2C[C@@H](C(C)C)[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC001474521473 1183934650 /nfs/dbraw/zinc/93/46/50/1183934650.db2.gz MJBWEGSUOYQMRD-ZFWWWQNUSA-N 0 0 322.405 3.421 20 10 DGCDRN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)c(C(=O)[O-])n2)c(O)c1 ZINC001607751768 1193253238 /nfs/dbraw/zinc/25/32/38/1193253238.db2.gz IIENILADEDXVDS-SNVBAGLBSA-N 0 0 320.776 3.298 20 10 DGCDRN COC(=O)[C@@](C)(NCc1ccc(Cl)cc1O)c1ccccc1 ZINC001474657008 1183957046 /nfs/dbraw/zinc/95/70/46/1183957046.db2.gz PPAQMMMSSYQUCU-KRWDZBQOSA-N 0 0 319.788 3.224 20 10 DGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC001474671115 1183958457 /nfs/dbraw/zinc/95/84/57/1183958457.db2.gz RLVLCDJSDFUKFI-GXSJLCMTSA-N 0 0 301.814 3.370 20 10 DGCDRN COC(=O)c1ccc(CN2Cc3cccc(O)c3C2)cc1Cl ZINC001474676998 1183960840 /nfs/dbraw/zinc/96/08/40/1183960840.db2.gz AOQLWZNZGNKAMI-UHFFFAOYSA-N 0 0 317.772 3.348 20 10 DGCDRN Oc1cc(Cl)ccc1CN1CCO[C@H](C(F)(F)F)CC1 ZINC001474692664 1183963727 /nfs/dbraw/zinc/96/37/27/1183963727.db2.gz ANAWLFUNTIXJJO-LBPRGKRZSA-N 0 0 309.715 3.199 20 10 DGCDRN COc1cc(C)c(CN[C@@H]2c3ccccc3OC[C@H]2F)c(O)c1 ZINC001474706170 1183965585 /nfs/dbraw/zinc/96/55/85/1183965585.db2.gz YULXKXUENIWUIJ-CRAIPNDOSA-N 0 0 317.360 3.271 20 10 DGCDRN COc1cc(C)c(CN[C@H]2c3ccccc3OC[C@H]2F)c(O)c1 ZINC001474706172 1183965695 /nfs/dbraw/zinc/96/56/95/1183965695.db2.gz YULXKXUENIWUIJ-QAPCUYQASA-N 0 0 317.360 3.271 20 10 DGCDRN COc1c([O-])c(C[NH2+]C[C@H]2C[C@H]2C2CCCC2)ccc1[N+](=O)[O-] ZINC001474755268 1183973947 /nfs/dbraw/zinc/97/39/47/1183973947.db2.gz ISHUAJQLJLPVIX-KGLIPLIRSA-N 0 0 320.389 3.225 20 10 DGCDRN COc1ccccc1NC[C@H](O)COc1ccc(Cl)cc1 ZINC000005586877 1193255933 /nfs/dbraw/zinc/25/59/33/1193255933.db2.gz IKYGFXICZJTZGC-ZDUSSCGKSA-N 0 0 307.777 3.200 20 10 DGCDRN Cc1ccc(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)cc1F ZINC001607783102 1193257223 /nfs/dbraw/zinc/25/72/23/1193257223.db2.gz PRCKRLHINZQHAL-LLVKDONJSA-N 0 0 303.333 3.389 20 10 DGCDRN C[C@@H](NC(=O)Nc1cccc([S@@](C)=O)c1)c1ccccc1O ZINC001476119474 1184029724 /nfs/dbraw/zinc/02/97/24/1184029724.db2.gz IVOUZEGHHTVIOP-RKFFSXRUSA-N 0 0 318.398 3.012 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)Nc1ccn2ccnc2c1 ZINC001476536027 1184042542 /nfs/dbraw/zinc/04/25/42/1184042542.db2.gz VXAQUYJVPJFHNH-UHFFFAOYSA-N 0 0 316.748 3.015 20 10 DGCDRN Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC001607811285 1193259664 /nfs/dbraw/zinc/25/96/64/1193259664.db2.gz OYVNHSDMFYKYSY-VHSXEESVSA-N 0 0 306.387 3.267 20 10 DGCDRN O=C(N[C@@H](c1ccccc1)C(F)F)N1Cc2cccc(O)c2C1 ZINC001476631726 1184046060 /nfs/dbraw/zinc/04/60/60/1184046060.db2.gz BMOSWSOJTIUICJ-HNNXBMFYSA-N 0 0 318.323 3.424 20 10 DGCDRN C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC001477634847 1184103062 /nfs/dbraw/zinc/10/30/62/1184103062.db2.gz LYPVFUMZJBOYSM-QLFBSQMISA-N 0 0 315.461 3.255 20 10 DGCDRN C[C@@H]1[C@H](C)CN(C(=O)NCc2ccc3c(c2)CCCN3C)[C@H]1C ZINC001477634846 1184103289 /nfs/dbraw/zinc/10/32/89/1184103289.db2.gz LYPVFUMZJBOYSM-KFWWJZLASA-N 0 0 315.461 3.255 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1C[C@]1(C)C(C)C ZINC001477855782 1184114633 /nfs/dbraw/zinc/11/46/33/1184114633.db2.gz WDYNXQUBRDLGFY-SJLPKXTDSA-N 0 0 303.450 3.295 20 10 DGCDRN C[C@@H](NC(=O)NCc1c(O)cccc1F)c1cccc(F)c1F ZINC001478254589 1184137499 /nfs/dbraw/zinc/13/74/99/1184137499.db2.gz OIVYUBNGJKJPMR-SECBINFHSA-N 0 0 324.302 3.370 20 10 DGCDRN Cn1c2ccc(F)cc2c(C[N@@H+]2CCC[C@H](CF)C2)c1C(=O)[O-] ZINC001608079278 1193277461 /nfs/dbraw/zinc/27/74/61/1193277461.db2.gz NQSMFSYTQDYQFX-LLVKDONJSA-N 0 0 322.355 3.197 20 10 DGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NN2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC001608153581 1193279852 /nfs/dbraw/zinc/27/98/52/1193279852.db2.gz HNOCULYMJMJKKX-HDICACEKSA-N 0 0 323.440 3.471 20 10 DGCDRN CN1C(=O)/C(=C\c2ccc(N3CCCC3)cc2)SC1=S ZINC000005931608 1193301753 /nfs/dbraw/zinc/30/17/53/1193301753.db2.gz PPRAOHXHGONCEG-JLHYYAGUSA-N 0 0 304.440 3.118 20 10 DGCDRN O=C([O-])C[N@H+](Cc1ccccc1)Cc1c(O)ccc2ccncc21 ZINC001608748157 1193302950 /nfs/dbraw/zinc/30/29/50/1193302950.db2.gz SBCLWZMLRJNIRV-UHFFFAOYSA-N 0 0 322.364 3.027 20 10 DGCDRN C[C@H]([NH2+][C@H](C(=O)[O-])c1ccsc1)c1ccc(N(C)C)cc1 ZINC001609778270 1193355688 /nfs/dbraw/zinc/35/56/88/1193355688.db2.gz YKHCGBQDGBZDPJ-NHYWBVRUSA-N 0 0 304.415 3.291 20 10 DGCDRN C[C@@H]([NH2+]Cc1ccsc1C(=O)[O-])c1ccc(N(C)C)cc1 ZINC001609782482 1193356830 /nfs/dbraw/zinc/35/68/30/1193356830.db2.gz SCWQDKNDMYEMMC-LLVKDONJSA-N 0 0 304.415 3.363 20 10 DGCDRN C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC001609840452 1193359817 /nfs/dbraw/zinc/35/98/17/1193359817.db2.gz KNIBMKVNZBNJMW-FRFSOERESA-N 0 0 316.445 3.048 20 10 DGCDRN Cc1cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC001610461087 1193390391 /nfs/dbraw/zinc/39/03/91/1193390391.db2.gz IUKCHHQWSVDSJU-JSGCOSHPSA-N 0 0 305.418 3.293 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]CCC(C)(C)C(=O)[O-] ZINC001610466373 1193390681 /nfs/dbraw/zinc/39/06/81/1193390681.db2.gz KJJGXHGKVPATMA-AWEZNQCLSA-N 0 0 306.450 3.083 20 10 DGCDRN Cc1csc(CCC[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)n1 ZINC001610546474 1193397577 /nfs/dbraw/zinc/39/75/77/1193397577.db2.gz UABKVUNUQMWHHC-LLVKDONJSA-N 0 0 320.414 3.139 20 10 DGCDRN CC(C)c1nnc(N(C)Cc2ccccc2O)n1[C@@H]1C[C@H]1C ZINC001508915377 1186526206 /nfs/dbraw/zinc/52/62/06/1186526206.db2.gz LNHBPDGHXWOMFL-TZMCWYRMSA-N 0 0 300.406 3.324 20 10 DGCDRN Cc1ccc2c(c1)[C@@H](NC(=O)c1c(F)ccc(O)c1O)CCC2 ZINC001611423958 1193433181 /nfs/dbraw/zinc/43/31/81/1193433181.db2.gz MFYOJMMHJNHCMV-AWEZNQCLSA-N 0 0 315.344 3.353 20 10 DGCDRN C[C@@H](C1CC1)N(C)c1nnc(C2SC=CC2=O)n1CC1CC1 ZINC001518342565 1186838200 /nfs/dbraw/zinc/83/82/00/1186838200.db2.gz BDJZMDQCVADXBV-JTQLQIEISA-N 0 0 318.446 3.357 20 10 DGCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)c2nccs2)cc1 ZINC001612212031 1193448676 /nfs/dbraw/zinc/44/86/76/1193448676.db2.gz XYUFLVKLJKWISZ-MRXNPFEDSA-N 0 0 317.458 3.395 20 10 DGCDRN Cn1cnc(/C=C\C(=O)N(Cc2ccsc2)c2cccnc2)c1 ZINC001527388952 1187425554 /nfs/dbraw/zinc/42/55/54/1187425554.db2.gz HRMVTBRZBRPUKQ-PLNGDYQASA-N 0 0 324.409 3.123 20 10 DGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)cc1 ZINC001534246033 1187885305 /nfs/dbraw/zinc/88/53/05/1187885305.db2.gz RCNDOYILPKZRDA-BNEJOLLZSA-N 0 0 300.446 3.441 20 10 DGCDRN Cc1cc(CNC(=O)c2ocnc2C)c(C)n1-c1ccccc1 ZINC001534768133 1187920709 /nfs/dbraw/zinc/92/07/09/1187920709.db2.gz UEDHGNHHSMZTQZ-UHFFFAOYSA-N 0 0 309.369 3.321 20 10 DGCDRN CCO[C@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001616370579 1193536527 /nfs/dbraw/zinc/53/65/27/1193536527.db2.gz CNIYCPGGIKVYHF-SFHVURJKSA-N 0 0 312.413 3.345 20 10 DGCDRN CN(Cc1cccc(F)c1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001540258963 1188227208 /nfs/dbraw/zinc/22/72/08/1188227208.db2.gz UVGOAYMCSNMEQG-UHFFFAOYSA-N 0 0 314.320 3.260 20 10 DGCDRN C[C@@H]1CCc2ccccc2N1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001540435733 1188239023 /nfs/dbraw/zinc/23/90/23/1188239023.db2.gz XHGPLWXNJADGNW-BIRHUZIMSA-N 0 0 309.365 3.479 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(Cl)cc1N)c1ccc(N(C)C)cc1 ZINC001616834964 1193548870 /nfs/dbraw/zinc/54/88/70/1193548870.db2.gz PEBZLQHFFOGURB-LLVKDONJSA-N 0 0 317.820 3.479 20 10 DGCDRN C[C@@H](NC(=O)c1ccc(F)c(O)c1)c1ccc(N(C)C)cc1 ZINC001616842628 1193549230 /nfs/dbraw/zinc/54/92/30/1193549230.db2.gz DSIZRVPMKIBYCT-LLVKDONJSA-N 0 0 302.349 3.088 20 10 DGCDRN CCCN(Cc1ccc(C)cc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001540702374 1188255881 /nfs/dbraw/zinc/25/58/81/1188255881.db2.gz MVKRSJJUDCCDDX-UHFFFAOYSA-N 0 0 313.397 3.388 20 10 DGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(O)cc1F ZINC001540729435 1188257827 /nfs/dbraw/zinc/25/78/27/1188257827.db2.gz XROQGXLUMXICGY-UHFFFAOYSA-N 0 0 314.360 3.062 20 10 DGCDRN Cc1cc(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)n[nH]1 ZINC001542100237 1188276806 /nfs/dbraw/zinc/27/68/06/1188276806.db2.gz XKKHJSGRMAENEF-UHFFFAOYSA-N 0 0 308.385 3.307 20 10 DGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccn2)cc1 ZINC001542321870 1188282101 /nfs/dbraw/zinc/28/21/01/1188282101.db2.gz LEEZTYJDXGJPSA-OAHLLOKOSA-N 0 0 323.356 3.221 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC1(C)CC1 ZINC001545203474 1188425504 /nfs/dbraw/zinc/42/55/04/1188425504.db2.gz JAWFWQOLNHXBFW-UHFFFAOYSA-N 0 0 310.397 3.437 20 10 DGCDRN Cc1cccc(C(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC001545639462 1188435476 /nfs/dbraw/zinc/43/54/76/1188435476.db2.gz PLZHMQNFJDGWCG-UHFFFAOYSA-N 0 0 323.392 3.079 20 10 DGCDRN CC(C)[C@@H](C(=O)NCc1cccc(O)c1O)c1ccc(F)cc1 ZINC001548791610 1188463199 /nfs/dbraw/zinc/46/31/99/1188463199.db2.gz GWVLMBFZNMCHCQ-MRXNPFEDSA-N 0 0 317.360 3.293 20 10 DGCDRN Nc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000034955880 1193578683 /nfs/dbraw/zinc/57/86/83/1193578683.db2.gz SWHQTPSVQMAICF-UHFFFAOYSA-N 0 0 317.197 3.376 20 10 DGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)N[C@@H]1C=CCC1 ZINC001562965782 1188759597 /nfs/dbraw/zinc/75/95/97/1188759597.db2.gz AOWWVZUZWWNCFI-CYBMUJFWSA-N 0 0 319.368 3.236 20 10 DGCDRN CC(C)(C)NC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001562966281 1188760753 /nfs/dbraw/zinc/76/07/53/1188760753.db2.gz SKKRBALZKBSXCT-UHFFFAOYSA-N 0 0 309.373 3.316 20 10 DGCDRN CC(=O)c1cc(NC(=O)N2Cc3cccc(O)c3C2)ccc1C ZINC001562998057 1188820458 /nfs/dbraw/zinc/82/04/58/1188820458.db2.gz HWXYJCHOPJQNBI-UHFFFAOYSA-N 0 0 310.353 3.451 20 10 DGCDRN COc1ccc(CNC(=O)c2c(C)cc(F)cc2C)c(O)c1 ZINC001556354414 1188996289 /nfs/dbraw/zinc/99/62/89/1188996289.db2.gz JBUWGTRRGNWXGM-UHFFFAOYSA-N 0 0 303.333 3.087 20 10 DGCDRN CC[C@H](NC(=O)c1cc(C)n(-c2ccccc2C)c1C)[C@H](C)O ZINC001556585668 1189007482 /nfs/dbraw/zinc/00/74/82/1189007482.db2.gz BLBQDQSNPNVVDE-RDJZCZTQSA-N 0 0 314.429 3.292 20 10 DGCDRN CC(=O)C1(NC(=O)c2cc(C)ccc2-n2c(C)ccc2C)CC1 ZINC001556927600 1189029178 /nfs/dbraw/zinc/02/91/78/1189029178.db2.gz HNXDIYKHCZJKBQ-UHFFFAOYSA-N 0 0 310.397 3.254 20 10 DGCDRN CC[C@H](NC(=O)c1ccc(C)c(O)c1O)c1ccccc1F ZINC001557340130 1189057735 /nfs/dbraw/zinc/05/77/35/1189057735.db2.gz HGVYDTQSLAIGDS-AWEZNQCLSA-N 0 0 303.333 3.426 20 10 DGCDRN CCc1cccc(CC(=O)NCc2cc(Cl)ccc2O)c1 ZINC001557386830 1189061011 /nfs/dbraw/zinc/06/10/11/1189061011.db2.gz LVKBCZATZNGKFY-UHFFFAOYSA-N 0 0 303.789 3.467 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2cnn(C)c2-c2ccccc2)c1 ZINC001557552664 1189070681 /nfs/dbraw/zinc/07/06/81/1189070681.db2.gz GRRNGLCJXBHMCD-UHFFFAOYSA-N 0 0 321.380 3.031 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)Cc2cccc(Cl)c2F)c1 ZINC001557553693 1189071857 /nfs/dbraw/zinc/07/18/57/1189071857.db2.gz YWVYSHVSJKTUDD-UHFFFAOYSA-N 0 0 307.752 3.352 20 10 DGCDRN CC[C@H](C[C@@H](C)O)NC(=O)c1sccc1-n1c(C)ccc1C ZINC001558010376 1189098563 /nfs/dbraw/zinc/09/85/63/1189098563.db2.gz YQAHHCWWKSGNDG-ZIAGYGMSSA-N 0 0 320.458 3.435 20 10 DGCDRN O=C(CCOc1cccc(Cl)c1)N1Cc2cccc(O)c2C1 ZINC001558034534 1189100792 /nfs/dbraw/zinc/10/07/92/1189100792.db2.gz FNXPBXWBPJAXMO-UHFFFAOYSA-N 0 0 317.772 3.357 20 10 DGCDRN Cc1c(=O)[nH]c2ccccc2c1C(=O)N1Cc2cccc(O)c2C1 ZINC001558036359 1189100903 /nfs/dbraw/zinc/10/09/03/1189100903.db2.gz YNRGJAUAPXXEKV-UHFFFAOYSA-N 0 0 320.348 3.110 20 10 DGCDRN Cc1cccc(Cl)c1CC(=O)N1Cc2cccc(O)c2C1 ZINC001558035344 1189101035 /nfs/dbraw/zinc/10/10/35/1189101035.db2.gz HBCWHLRPCNMHJZ-UHFFFAOYSA-N 0 0 301.773 3.439 20 10 DGCDRN C[C@H](CCCc1ccccc1)C(=O)NCc1c(O)cccc1O ZINC001558533805 1189132018 /nfs/dbraw/zinc/13/20/18/1189132018.db2.gz KKZMPRXFZRCDJT-CQSZACIVSA-N 0 0 313.397 3.373 20 10 DGCDRN C[C@@H](C(=O)NCc1c(O)cccc1O)c1cccc(Cl)c1 ZINC001558534907 1189132336 /nfs/dbraw/zinc/13/23/36/1189132336.db2.gz ZPZNRNIWXMLUHA-SNVBAGLBSA-N 0 0 305.761 3.171 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCC[C@@H](O)C1CC1 ZINC001558748201 1189145659 /nfs/dbraw/zinc/14/56/59/1189145659.db2.gz HHSSDHWPFWMHBA-OAHLLOKOSA-N 0 0 318.442 3.046 20 10 DGCDRN CCOc1cc(NCc2c(O)ccc3c2CCCC3)nc(C)n1 ZINC001559117165 1189172252 /nfs/dbraw/zinc/17/22/52/1189172252.db2.gz HLFZHGNTPREOJD-UHFFFAOYSA-N 0 0 313.401 3.380 20 10 DGCDRN COC(=O)[C@@H](NCc1ccc(N(C)C)c(C)c1)C1CCCCC1 ZINC001559731700 1189235856 /nfs/dbraw/zinc/23/58/56/1189235856.db2.gz UCNMTOBSVKEHGI-SFHVURJKSA-N 0 0 318.461 3.273 20 10 DGCDRN COc1ccc(N(CCC(C)C)C[C@H]2CCc3ncnn32)cc1 ZINC001559809677 1189244300 /nfs/dbraw/zinc/24/43/00/1189244300.db2.gz JJZGZSQZWPPDHD-MRXNPFEDSA-N 0 0 314.433 3.327 20 10 DGCDRN COc1ccc(N(C)CC(=O)N(C)[C@H]2CCCC[C@@H]2C)cc1 ZINC001559970048 1189264129 /nfs/dbraw/zinc/26/41/29/1189264129.db2.gz ZVWBXAVMWKAHEX-YOEHRIQHSA-N 0 0 304.434 3.169 20 10 DGCDRN Cc1[nH]nc2ncc(NCC=Cc3ccc(N(C)C)cc3)cc12 ZINC001560624571 1189350895 /nfs/dbraw/zinc/35/08/95/1189350895.db2.gz SOBJUGFUHASJFG-PLNGDYQASA-N 0 0 307.401 3.458 20 10 DGCDRN Oc1cc(F)c(F)cc1CNc1cccc2c1OCC[C@@H]2O ZINC001560736729 1189370452 /nfs/dbraw/zinc/37/04/52/1189370452.db2.gz XXJHBIWHRWMTGH-AWEZNQCLSA-N 0 0 307.296 3.098 20 10 DGCDRN CC(C)C[C@@H](CN1CCCC1)[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001560844962 1189393333 /nfs/dbraw/zinc/39/33/33/1189393333.db2.gz DGHSHSWMKGUAFS-AWEZNQCLSA-N 0 0 312.404 3.271 20 10 DGCDRN CN(C)c1cc(F)c(CN2CC[C@H]3[C@@H](C2)C3(F)F)cc1F ZINC001560876932 1189398635 /nfs/dbraw/zinc/39/86/35/1189398635.db2.gz DXYDUYXTTMFBFT-WDEREUQCSA-N 0 0 302.315 3.118 20 10 DGCDRN CC[C@@H](C)C[C@@H](NCc1ccc2c(c1)CCCO2)C(=O)OC ZINC001560904036 1189403446 /nfs/dbraw/zinc/40/34/46/1189403446.db2.gz LNYQUJFHQJULSB-CZUORRHYSA-N 0 0 305.418 3.079 20 10 DGCDRN C[N@@H+]1CCN(Cc2cc(Cl)c(F)cc2[O-])CCC1(C)C ZINC001560953276 1189410544 /nfs/dbraw/zinc/41/05/44/1189410544.db2.gz IOLKOFZBFQJNEI-UHFFFAOYSA-N 0 0 300.805 3.101 20 10 DGCDRN CCOC(=O)[C@@H](CC1CC1)NCc1cc(C(C)C)ccc1O ZINC001560995917 1189416975 /nfs/dbraw/zinc/41/69/75/1189416975.db2.gz CEPQFDADLGPILL-MRXNPFEDSA-N 0 0 305.418 3.337 20 10 DGCDRN CCO[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC001561031697 1189423602 /nfs/dbraw/zinc/42/36/02/1189423602.db2.gz ZKPWJJCPUPSKPH-AWEZNQCLSA-N 0 0 316.367 3.382 20 10 DGCDRN COC(=O)c1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])cc1F ZINC001561044156 1189425085 /nfs/dbraw/zinc/42/50/85/1189425085.db2.gz UDQUDHPCEQJKHT-UHFFFAOYSA-N 0 0 323.751 3.261 20 10 DGCDRN CN1CCCc2cc(CNC(=O)N[C@@]3(C)CC3(C)C)ccc21 ZINC001563792558 1189534168 /nfs/dbraw/zinc/53/41/68/1189534168.db2.gz RZLBBNWPAZJUAY-SFHVURJKSA-N 0 0 301.434 3.057 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCC[C@@H]2CC[C@H]3C[C@H]32)cc1F ZINC001563810371 1189536428 /nfs/dbraw/zinc/53/64/28/1189536428.db2.gz DECORPDCVAGMSK-KKUMJFAQSA-N 0 0 319.424 3.127 20 10 DGCDRN CCC1(CC)[C@H](NC(=O)N[C@H](C)c2ccccc2O)C[C@H]1OC ZINC001564411062 1189573451 /nfs/dbraw/zinc/57/34/51/1189573451.db2.gz CFTHRYDYTIROAV-DAXOMENPSA-N 0 0 320.433 3.346 20 10 DGCDRN CC[C@@H]1CCCC[C@@H]1CNC(=O)NCc1ccc(OC)cc1O ZINC001564846716 1189600811 /nfs/dbraw/zinc/60/08/11/1189600811.db2.gz BHHXFNTXHQRCNL-ZIAGYGMSSA-N 0 0 320.433 3.416 20 10 DGCDRN CC[C@H]1CCN(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC001564945754 1189609425 /nfs/dbraw/zinc/60/94/25/1189609425.db2.gz UGHWNTWBBBTEBX-CVEARBPZSA-N 0 0 317.477 3.434 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)NC[C@H]1CCCC12CC2 ZINC001565166093 1189627650 /nfs/dbraw/zinc/62/76/50/1189627650.db2.gz IASHHPMASVQABI-GFCCVEGCSA-N 0 0 308.809 3.425 20 10 DGCDRN C[C@@H](NC(=O)N1Cc2cccc(O)c2C1)c1c(F)cccc1F ZINC001565382659 1189641231 /nfs/dbraw/zinc/64/12/31/1189641231.db2.gz YZMIFNUGXVNMGE-SNVBAGLBSA-N 0 0 318.323 3.457 20 10 DGCDRN CCCOC1(CNC(=O)c2ccc(C)c(O)c2O)CCCCC1 ZINC001566220200 1189753719 /nfs/dbraw/zinc/75/37/19/1189753719.db2.gz FZVPCQJVWPCVOE-UHFFFAOYSA-N 0 0 321.417 3.266 20 10 DGCDRN C/C=C\COc1cccc(CC(=O)NCc2ccccc2O)c1 ZINC001566374197 1189765342 /nfs/dbraw/zinc/76/53/42/1189765342.db2.gz YGHLUBIRCVYHPR-IHWYPQMZSA-N 0 0 311.381 3.206 20 10 DGCDRN O=C(NCc1ccccc1O)c1cc(-c2ccc(F)cc2)no1 ZINC001566373694 1189765834 /nfs/dbraw/zinc/76/58/34/1189765834.db2.gz AIAJQYVKWZFLLC-UHFFFAOYSA-N 0 0 312.300 3.116 20 10 DGCDRN COc1ccc(O)c([C@H](C)NC(=O)/C(C)=C\c2ccco2)c1 ZINC001566374912 1189765873 /nfs/dbraw/zinc/76/58/73/1189765873.db2.gz YKHWANBKXLIYCF-MMRAYRKESA-N 0 0 301.342 3.275 20 10 DGCDRN C[C@@H](CSc1ccccc1)C(=O)NCc1ccc(O)cc1O ZINC001570462281 1190863645 /nfs/dbraw/zinc/86/36/45/1190863645.db2.gz MFULBOOZSDZLCE-LBPRGKRZSA-N 0 0 317.410 3.142 20 10 DGCDRN C[C@@H](Cc1ccco1)C(=O)NCc1ccc2cccnc2c1O ZINC001570533435 1190878834 /nfs/dbraw/zinc/87/88/34/1190878834.db2.gz BJPIYANWJVHWCS-LBPRGKRZSA-N 0 0 310.353 3.028 20 10 DGCDRN CC(C)CN(C(=O)Cc1ccc(N)cc1)c1ccc(F)cn1 ZINC001575585932 1191493064 /nfs/dbraw/zinc/49/30/64/1191493064.db2.gz BVAYRTIGTOMJCM-UHFFFAOYSA-N 0 0 301.365 3.035 20 10 DGCDRN COc1nnc(CN(C)c2ccc(-c3nccs3)cc2)s1 ZINC001618417212 1193737967 /nfs/dbraw/zinc/73/79/67/1193737967.db2.gz ZWYXJVMMGZHTDI-UHFFFAOYSA-N 0 0 318.427 3.307 20 10 DGCDRN COc1c(NCc2c(O)cc(C)cc2Cl)cccc1C(N)=O ZINC001621199462 1193816249 /nfs/dbraw/zinc/81/62/49/1193816249.db2.gz JBRURAAUFITEEQ-UHFFFAOYSA-N 0 0 320.776 3.074 20 10 DGCDRN Oc1cc(F)c(F)cc1CNc1c[nH]nc1-c1ccccn1 ZINC001621216060 1193817191 /nfs/dbraw/zinc/81/71/91/1193817191.db2.gz GFHVILILPOCEPV-UHFFFAOYSA-N 0 0 302.284 3.068 20 10 DGCDRN COc1ccc(N(C)Cc2ccc3oc(=O)oc3c2)cc1OC ZINC001621412105 1193839704 /nfs/dbraw/zinc/83/97/04/1193839704.db2.gz CYOFYWASRKBVAF-UHFFFAOYSA-N 0 0 315.325 3.040 20 10 DGCDRN C[C@H]([NH2+]Cc1cc(F)c(F)cc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC001621520972 1193853598 /nfs/dbraw/zinc/85/35/98/1193853598.db2.gz LMLWVCYVSYSEOD-VIFPVBQESA-N 0 0 308.284 3.429 20 10 DGCDRN C[C@@H](CSC(F)(F)F)C(=O)N(C)Cc1ccccc1O ZINC001622317716 1193894381 /nfs/dbraw/zinc/89/43/81/1193894381.db2.gz VUUUIDDQOZAEIA-VIFPVBQESA-N 0 0 307.337 3.240 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1cc(F)cc2ccncc21 ZINC001622312727 1193894486 /nfs/dbraw/zinc/89/44/86/1193894486.db2.gz YPBYVQOOMDJDCQ-UHFFFAOYSA-N 0 0 310.328 3.352 20 10 DGCDRN C[C@H](CSC(F)(F)F)C(=O)N(C)Cc1ccccc1O ZINC001622317715 1193894553 /nfs/dbraw/zinc/89/45/53/1193894553.db2.gz VUUUIDDQOZAEIA-SECBINFHSA-N 0 0 307.337 3.240 20 10 DGCDRN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(N)cc2)cc1 ZINC000036283873 1193920167 /nfs/dbraw/zinc/92/01/67/1193920167.db2.gz YPAWDAWTPRZOAF-UHFFFAOYSA-N 0 0 304.415 3.367 20 10 DGCDRN Cc1cc(Cl)cc(C(=O)NCc2ccc(N(C)C)cc2)c1N ZINC001623316245 1193927407 /nfs/dbraw/zinc/92/74/07/1193927407.db2.gz QIKQZUWCDOPCKE-UHFFFAOYSA-N 0 0 317.820 3.227 20 10 DGCDRN Cn1ccc2cccc(NC(=O)NCc3c(O)cccc3F)c21 ZINC001623748598 1193957431 /nfs/dbraw/zinc/95/74/31/1193957431.db2.gz KIFJVGYRDHGQOG-UHFFFAOYSA-N 0 0 313.332 3.345 20 10 DGCDRN COc1cccc(NC(=O)N[C@@H](C)c2ccccc2O)c1F ZINC001624028300 1193977730 /nfs/dbraw/zinc/97/77/30/1193977730.db2.gz XYCOEWCYHQJYTM-JTQLQIEISA-N 0 0 304.321 3.423 20 10 DGCDRN Cc1cc(F)c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(F)c1 ZINC001624954951 1194023674 /nfs/dbraw/zinc/02/36/74/1194023674.db2.gz NUMRHMZJSIVPFY-JTQLQIEISA-N 0 0 321.323 3.045 20 10 DGCDRN C/C(=C\C(=O)NCc1ccc(O)cc1O)c1cccc(Cl)c1 ZINC001626838370 1194098290 /nfs/dbraw/zinc/09/82/90/1194098290.db2.gz ZEKURFJBUNTYQO-YRNVUSSQSA-N 0 0 317.772 3.471 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCc2ccoc2)c1 ZINC001626961986 1194104377 /nfs/dbraw/zinc/10/43/77/1194104377.db2.gz YBXAUZIJZBFSCJ-UHFFFAOYSA-N 0 0 322.364 3.430 20 10 DGCDRN Cc1ccc(CC(=O)NCc2ccc3cccnc3c2O)cc1C ZINC001627069092 1194109857 /nfs/dbraw/zinc/10/98/57/1194109857.db2.gz IFHKBJYPRWLNQV-UHFFFAOYSA-N 0 0 320.392 3.416 20 10 DGCDRN Cc1cc(Cl)nc(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC001628680665 1194191842 /nfs/dbraw/zinc/19/18/42/1194191842.db2.gz QQGQYQJJIDMXKV-UHFFFAOYSA-N 0 0 311.168 3.332 20 10 DGCDRN Cc1ccc(/C=C/C(=O)NCc2cc(Cl)ccc2O)cn1 ZINC001628680663 1194192219 /nfs/dbraw/zinc/19/22/19/1194192219.db2.gz QNPHRVPNMZBFLO-QPJJXVBHSA-N 0 0 302.761 3.079 20 10 DGCDRN CN(C)c1ccc(CN(C)C(=O)/C=C/c2ccc(C=O)cc2)cc1 ZINC001628793480 1194197128 /nfs/dbraw/zinc/19/71/28/1194197128.db2.gz LJTNGUWUWMLARU-JLHYYAGUSA-N 0 0 322.408 3.237 20 10 DGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cnc2c(F)cccc2c1 ZINC001628828665 1194199252 /nfs/dbraw/zinc/19/92/52/1194199252.db2.gz FTBKPAYVHDPIKG-FNORWQNLSA-N 0 0 324.311 3.437 20 10 DGCDRN CC(C)c1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)no1 ZINC001628951498 1194205094 /nfs/dbraw/zinc/20/50/94/1194205094.db2.gz CFEHEXHKDSCETK-UHFFFAOYSA-N 0 0 301.306 3.213 20 10 DGCDRN CCC(C)(C)[C@@H](O)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001628954952 1194205868 /nfs/dbraw/zinc/20/58/68/1194205868.db2.gz UZCXIPPWXGOIFZ-KRWDZBQOSA-N 0 0 318.461 3.042 20 10 DGCDRN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001629122865 1194215207 /nfs/dbraw/zinc/21/52/07/1194215207.db2.gz MDNBNUZJVYPZRY-SNVBAGLBSA-N 0 0 321.323 3.138 20 10 DGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H]1c1ccc(F)cc1 ZINC001629152986 1194216629 /nfs/dbraw/zinc/21/66/29/1194216629.db2.gz OEPTZKASRMIQEZ-HNNXBMFYSA-N 0 0 315.344 3.143 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)NCc2cc3ccccc3o2)c1 ZINC001629243901 1194221815 /nfs/dbraw/zinc/22/18/15/1194221815.db2.gz NIOMWYIKCDHZQZ-UHFFFAOYSA-N 0 0 310.353 3.446 20 10 DGCDRN CCCCO[C@@H]1C[C@H](NC(=O)c2ccc(C)c(O)c2O)C1(C)C ZINC001629523460 1194239163 /nfs/dbraw/zinc/23/91/63/1194239163.db2.gz YIXHBJDCHGEUKT-UONOGXRCSA-N 0 0 321.417 3.120 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@]1(C)CCCO1 ZINC001629921155 1194258545 /nfs/dbraw/zinc/25/85/45/1194258545.db2.gz UIFRMWKMQFNXSU-QGZVFWFLSA-N 0 0 318.442 3.455 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)NC[C@@H]1Cc2ccccc21 ZINC001629925941 1194259017 /nfs/dbraw/zinc/25/90/17/1194259017.db2.gz VETGUKVRZMXIPC-ZDUSSCGKSA-N 0 0 316.788 3.185 20 10 DGCDRN C[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@H](c2ccco2)C1 ZINC001629953458 1194262083 /nfs/dbraw/zinc/26/20/83/1194262083.db2.gz AFGMZQQYALFLML-OCCSQVGLSA-N 0 0 315.369 3.233 20 10 DGCDRN CC[C@@H](C)CCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC001630355849 1194282212 /nfs/dbraw/zinc/28/22/12/1194282212.db2.gz WLOMHNRMRXNOCY-CQSZACIVSA-N 0 0 303.450 3.304 20 10 DGCDRN CCCN(CC1CCCCC1)C(=O)Cc1ccc(O)c(O)c1 ZINC001630907121 1194310433 /nfs/dbraw/zinc/31/04/33/1194310433.db2.gz BONUGOZTGJQWNA-UHFFFAOYSA-N 0 0 305.418 3.459 20 10 DGCDRN O=C(NCc1ccnc(-c2ccccc2)c1)c1cccc(O)c1O ZINC001631441412 1194335150 /nfs/dbraw/zinc/33/51/50/1194335150.db2.gz IBZDZZLPMRBLNU-UHFFFAOYSA-N 0 0 320.348 3.090 20 10 DGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](C)[C@@H](C)[C@@H]1C ZINC001631505576 1194338778 /nfs/dbraw/zinc/33/87/78/1194338778.db2.gz GMVNCQOULUULPM-ZNMIVQPWSA-N 0 0 303.450 3.247 20 10 DGCDRN Cc1ccncc1[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001631513203 1194339530 /nfs/dbraw/zinc/33/95/30/1194339530.db2.gz BWYIHDLHVFJLBR-NSHDSACASA-N 0 0 311.345 3.043 20 10 DGCDRN CSc1cccc(C(=O)NCc2cc(Cl)ccc2O)n1 ZINC001632227711 1194377825 /nfs/dbraw/zinc/37/78/25/1194377825.db2.gz HZUFIAUEDCGNNU-UHFFFAOYSA-N 0 0 308.790 3.093 20 10 DGCDRN Cc1nc(Cl)ccc1C(=O)NCc1cc(Cl)ccc1O ZINC001632223967 1194377856 /nfs/dbraw/zinc/37/78/56/1194377856.db2.gz RYUWHXJCMNZYFS-UHFFFAOYSA-N 0 0 311.168 3.332 20 10 DGCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1CCc2cccc(O)c21 ZINC001632228214 1194378180 /nfs/dbraw/zinc/37/81/80/1194378180.db2.gz MPUPJQBRTJYDLA-ZDUSSCGKSA-N 0 0 317.772 3.097 20 10 DGCDRN CC(C)Cc1cc(C(=O)N[C@H](C)c2ccccc2O)cc(=O)[nH]1 ZINC001632246185 1194378849 /nfs/dbraw/zinc/37/88/49/1194378849.db2.gz CLVYHURQUBCMEN-GFCCVEGCSA-N 0 0 314.385 3.182 20 10 DGCDRN C[C@@H](NC(=O)c1c[nH]nc1-c1ccccc1)c1ccccc1O ZINC001632247300 1194379362 /nfs/dbraw/zinc/37/93/62/1194379362.db2.gz YIEVWEYLCOYHEO-GFCCVEGCSA-N 0 0 307.353 3.273 20 10 DGCDRN CCC(=O)c1cc(C(=O)N2Cc3cccc(O)c3C2)ccc1F ZINC001632709250 1194402812 /nfs/dbraw/zinc/40/28/12/1194402812.db2.gz PUVPVYRMTBSSAP-UHFFFAOYSA-N 0 0 313.328 3.280 20 10 DGCDRN CC1(C)CCC[C@@H]1CCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001633668020 1194449557 /nfs/dbraw/zinc/44/95/57/1194449557.db2.gz WAFOADHMMLTYOH-IZPAUZPXSA-N 0 0 303.402 3.444 20 10 DGCDRN CC[C@H](c1ccncc1)N(CC)C(=O)Cc1ccc(O)c(O)c1 ZINC001634069023 1194472120 /nfs/dbraw/zinc/47/21/20/1194472120.db2.gz QZSMTZGHXLFUNW-OAHLLOKOSA-N 0 0 314.385 3.035 20 10 DGCDRN O=C(NCc1c(O)cccc1F)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001634725105 1194511824 /nfs/dbraw/zinc/51/18/24/1194511824.db2.gz NWQRQMZRXCLPKL-IUODEOHRSA-N 0 0 318.323 3.026 20 10 DGCDRN CC[C@@H](NC(=O)c1cc(C)ccc1-n1c(C)ccc1C)[C@@H](C)O ZINC001635346957 1194546056 /nfs/dbraw/zinc/54/60/56/1194546056.db2.gz VTNPMNDMBUYGCT-NVXWUHKLSA-N 0 0 314.429 3.292 20 10 DGCDRN C[C@@H](NC(=O)NCc1cc(F)cnc1Cl)c1ccccc1O ZINC001635579002 1194559483 /nfs/dbraw/zinc/55/94/83/1194559483.db2.gz GNCMORVLCYZWQF-SECBINFHSA-N 0 0 323.755 3.140 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC001635657861 1194564858 /nfs/dbraw/zinc/56/48/58/1194564858.db2.gz DGSVOYMPLYXWHR-HNNXBMFYSA-N 0 0 301.773 3.344 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)c1ccccc1-n1cccc1 ZINC001635658492 1194565003 /nfs/dbraw/zinc/56/50/03/1194565003.db2.gz XTIVBYXWUFAMQC-UHFFFAOYSA-N 0 0 306.365 3.455 20 10 DGCDRN O=C(NCc1c(O)cccc1O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC001635850896 1194575512 /nfs/dbraw/zinc/57/55/12/1194575512.db2.gz UXOURCOJQSWZAN-MWLCHTKSSA-N 0 0 317.307 3.083 20 10 DGCDRN CC[C@H](C(=O)NCc1c(O)cccc1O)c1ccc(F)cc1 ZINC001635847180 1194575859 /nfs/dbraw/zinc/57/58/59/1194575859.db2.gz JQJUOBDTFZGAFT-ZDUSSCGKSA-N 0 0 303.333 3.047 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1coc(C2CCCCC2)n1 ZINC001635846835 1194576092 /nfs/dbraw/zinc/57/60/92/1194576092.db2.gz CAEUPYFZOUKYPS-UHFFFAOYSA-N 0 0 316.357 3.064 20 10 DGCDRN CCc1cccc(C(=O)NCc2c(O)ccc3ccccc32)n1 ZINC001635968784 1194583106 /nfs/dbraw/zinc/58/31/06/1194583106.db2.gz ILKXTRKUMRXKAR-UHFFFAOYSA-N 0 0 306.365 3.433 20 10 DGCDRN O=C(c1ccsc1Br)N1Cc2cccc(O)c2C1 ZINC001636230410 1194601420 /nfs/dbraw/zinc/60/14/20/1194601420.db2.gz BQEBIPAOIGIASG-UHFFFAOYSA-N 0 0 324.199 3.372 20 10 DGCDRN Cc1[nH]nc(C(F)F)c1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001636389061 1194611262 /nfs/dbraw/zinc/61/12/62/1194611262.db2.gz MFUZUEXITUYPOQ-UHFFFAOYSA-N 0 0 322.275 3.070 20 10 DGCDRN Cc1ccc(C(=O)NCc2cc(C3CC3)ccc2F)c(O)c1O ZINC001636499756 1194616863 /nfs/dbraw/zinc/61/68/63/1194616863.db2.gz GERFJBABYSMTKE-UHFFFAOYSA-N 0 0 315.344 3.353 20 10 DGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1COC(C)(C)C1 ZINC001636867447 1194637480 /nfs/dbraw/zinc/63/74/80/1194637480.db2.gz ATGYGQLXYNOXDV-CYBMUJFWSA-N 0 0 318.442 3.453 20 10 DGCDRN CSc1ccc(C)c(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001637255171 1194659868 /nfs/dbraw/zinc/65/98/68/1194659868.db2.gz JZAYCQYFLQUCLG-UHFFFAOYSA-N 0 0 303.383 3.309 20 10 DGCDRN Cc1c(F)c(F)ccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001637856009 1194690167 /nfs/dbraw/zinc/69/01/67/1194690167.db2.gz NYGRBWRCQXFQSR-XVNBXDOJSA-N 0 0 305.280 3.336 20 10 DGCDRN CSc1cc(C)ccc1CNC(=O)c1c(F)ccc(O)c1O ZINC001638477272 1194721318 /nfs/dbraw/zinc/72/13/18/1194721318.db2.gz GAENEGWBGKRWBI-UHFFFAOYSA-N 0 0 321.373 3.197 20 10 DGCDRN CC[C@@H](NC(=O)c1cccc(O)c1O)c1cc(F)ccc1OC ZINC001638715518 1194733639 /nfs/dbraw/zinc/73/36/39/1194733639.db2.gz BODKHTYWWUIRSK-CYBMUJFWSA-N 0 0 319.332 3.127 20 10 DGCDRN COc1c(Cl)cccc1CNC(=O)NCc1ccccc1O ZINC001638718112 1194733795 /nfs/dbraw/zinc/73/37/95/1194733795.db2.gz UTLOFPCNTTXQCP-UHFFFAOYSA-N 0 0 320.776 3.054 20 10 DGCDRN O=C(NCc1c(O)ccc2ccccc21)[C@@H]1CC1(Cl)Cl ZINC001639384780 1194762638 /nfs/dbraw/zinc/76/26/38/1194762638.db2.gz VCGFHYOJNJGECJ-LBPRGKRZSA-N 0 0 310.180 3.355 20 10 DGCDRN C/C(=C\C(=O)NCc1ccc(O)cc1O)c1ccccc1Cl ZINC001639444474 1194766598 /nfs/dbraw/zinc/76/65/98/1194766598.db2.gz MXYGCIDOXGIODX-DHZHZOJOSA-N 0 0 317.772 3.471 20 10 DGCDRN Cc1ccc([C@@H](C)C(=O)NCc2ccc3cccnc3c2O)o1 ZINC001639621842 1194774035 /nfs/dbraw/zinc/77/40/35/1194774035.db2.gz WABQGXCDSTWBBK-GFCCVEGCSA-N 0 0 310.353 3.262 20 10 DGCDRN Cc1c(F)cccc1C(=O)NCc1ccc2cccnc2c1O ZINC001639624908 1194774186 /nfs/dbraw/zinc/77/41/86/1194774186.db2.gz OWXSVFOCGWYMOM-UHFFFAOYSA-N 0 0 310.328 3.318 20 10 DGCDRN COc1cc(SC)ccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001639837848 1194784103 /nfs/dbraw/zinc/78/41/03/1194784103.db2.gz KBQAUTMAHCKGDV-UHFFFAOYSA-N 0 0 319.382 3.010 20 10 DGCDRN CN(C(=O)/C=C\c1cncc(F)c1)c1cccc2c1CCCN2 ZINC001639934385 1194788067 /nfs/dbraw/zinc/78/80/67/1194788067.db2.gz NYOWNYITRPDZJN-FPLPWBNLSA-N 0 0 311.360 3.255 20 10 DGCDRN Oc1ccc(Cl)cc1CNc1ncc(Br)cn1 ZINC001640127277 1194797764 /nfs/dbraw/zinc/79/77/64/1194797764.db2.gz VAQKLYVTDRYBLN-UHFFFAOYSA-N 0 0 314.570 3.210 20 10 DGCDRN Cc1cccc(O[C@@H](C)C(=O)NCc2cccc(Cl)c2O)c1 ZINC001640402296 1194811353 /nfs/dbraw/zinc/81/13/53/1194811353.db2.gz OVJNODMZACFTEW-LBPRGKRZSA-N 0 0 319.788 3.438 20 10 DGCDRN Cc1ccn(-c2ccc(C(=O)NCc3cc(C)ccc3O)cc2)n1 ZINC001640796837 1194828023 /nfs/dbraw/zinc/82/80/23/1194828023.db2.gz RJIIYQSUFCDPSG-UHFFFAOYSA-N 0 0 321.380 3.125 20 10 DGCDRN O=C(CCOc1ccccc1)NCc1cc(Cl)ccc1O ZINC001640920268 1194833039 /nfs/dbraw/zinc/83/30/39/1194833039.db2.gz NEJNATXHJQMMCQ-UHFFFAOYSA-N 0 0 305.761 3.131 20 10 DGCDRN Cc1cc(NC(=O)c2cc3cc(O)c(O)cc3s2)sn1 ZINC001641563802 1194860281 /nfs/dbraw/zinc/86/02/81/1194860281.db2.gz RXYNSIKUZDJCMY-UHFFFAOYSA-N 0 0 306.368 3.330 20 10 DGCDRN CCCCOC(=O)[C@@H](C)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001641554058 1194860393 /nfs/dbraw/zinc/86/03/93/1194860393.db2.gz BTPYIZCAJZTYAL-OAHLLOKOSA-N 0 0 318.461 3.449 20 10 DGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H](C)C2CC2)c1 ZINC001641695758 1194866990 /nfs/dbraw/zinc/86/69/90/1194866990.db2.gz VSFPAPDYKFAXHP-ZDUSSCGKSA-N 0 0 310.397 3.435 20 10 DGCDRN C=C/C=C/CC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001641971948 1194881680 /nfs/dbraw/zinc/88/16/80/1194881680.db2.gz ISCCHQBRECDVOM-ONEGZZNKSA-N 0 0 304.353 3.467 20 10 DGCDRN C=C/C=C\CC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001641971947 1194881826 /nfs/dbraw/zinc/88/18/26/1194881826.db2.gz ISCCHQBRECDVOM-ARJAWSKDSA-N 0 0 304.353 3.467 20 10 DGCDRN CCOc1cc(N(C)Cc2ccc(N3CCCC3)cc2)ncn1 ZINC001642021405 1194883843 /nfs/dbraw/zinc/88/38/43/1194883843.db2.gz FIYHUKHHJKARIW-UHFFFAOYSA-N 0 0 312.417 3.112 20 10 DGCDRN Cc1ncsc1CCCN1CCOc2cc(N(C)C)ccc21 ZINC001642567172 1194920343 /nfs/dbraw/zinc/92/03/43/1194920343.db2.gz JGPBYMJSJYYDTA-UHFFFAOYSA-N 0 0 317.458 3.349 20 10 DGCDRN CC(=O)Nc1ccc(C)c(C(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001642831177 1194944713 /nfs/dbraw/zinc/94/47/13/1194944713.db2.gz SCCRCKKNKYEOCF-LBPRGKRZSA-N 0 0 312.369 3.150 20 10 DGCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C(C)C)C(C)(C)O)c1[O-] ZINC001643020785 1194961293 /nfs/dbraw/zinc/96/12/93/1194961293.db2.gz MCTJINYUFJASOB-HNNXBMFYSA-N 0 0 313.825 3.133 20 10 DGCDRN Cc1oc2ccccc2c1CC(=O)NCc1ccc(O)cc1O ZINC001643104425 1194996110 /nfs/dbraw/zinc/99/61/10/1194996110.db2.gz YHTJNNKNOBCPDQ-UHFFFAOYSA-N 0 0 311.337 3.011 20 10 DGCDRN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1Cc2cccc(O)c2C1 ZINC001643173641 1195000193 /nfs/dbraw/zinc/00/01/93/1195000193.db2.gz OYBWQRMTFFEBQP-UHFFFAOYSA-N 0 0 312.325 3.073 20 10 DGCDRN O=C(c1ccc(OC(F)F)cc1F)N1Cc2cccc(O)c2C1 ZINC001643173719 1195000307 /nfs/dbraw/zinc/00/03/07/1195000307.db2.gz RHGJTAPMPSXCGU-UHFFFAOYSA-N 0 0 323.270 3.289 20 10 DGCDRN O=C(c1cccc(-n2cccc2)c1)N1Cc2cccc(O)c2C1 ZINC001643169040 1195000439 /nfs/dbraw/zinc/00/04/39/1195000439.db2.gz NAGAALXGTNKTSW-UHFFFAOYSA-N 0 0 304.349 3.339 20 10 DGCDRN O=C(NCc1ccc2cccnc2c1O)c1cccc2cc[nH]c21 ZINC001643282848 1195010967 /nfs/dbraw/zinc/01/09/67/1195010967.db2.gz BRAIUKPYKQATTC-UHFFFAOYSA-N 0 0 317.348 3.352 20 10 DGCDRN CC[C@](C)(NC(=O)c1cccc(O)c1O)c1ccc(F)cc1 ZINC001643369065 1195018564 /nfs/dbraw/zinc/01/85/64/1195018564.db2.gz ALFIXVHYUKWODO-KRWDZBQOSA-N 0 0 303.333 3.292 20 10 DGCDRN C/C(=C/C1CCC(C)CC1)C(=O)NCc1cc(O)ccc1O ZINC001643881791 1195060116 /nfs/dbraw/zinc/06/01/16/1195060116.db2.gz FWDKQAPCFMHOMB-LCYFTJDESA-N 0 0 303.402 3.487 20 10 DGCDRN CC[C@H](C)Oc1ccc(C(=O)NCc2cc(O)ccc2O)cc1 ZINC001643882209 1195060316 /nfs/dbraw/zinc/06/03/16/1195060316.db2.gz QMNLDWJEKNRPOY-LBPRGKRZSA-N 0 0 315.369 3.205 20 10 DGCDRN Cc1cc2occ(C(=O)NCc3cc(O)ccc3O)c2cc1C ZINC001643881728 1195060406 /nfs/dbraw/zinc/06/04/06/1195060406.db2.gz CINHMPYUVZLGCP-UHFFFAOYSA-N 0 0 311.337 3.391 20 10 DGCDRN COc1c2ccccc2[nH]c1C(=O)N1Cc2cccc(O)c2C1 ZINC001644088098 1195080269 /nfs/dbraw/zinc/08/02/69/1195080269.db2.gz FIVOUELRABMOPS-UHFFFAOYSA-N 0 0 308.337 3.038 20 10 DGCDRN C[C@H](Oc1cccc(F)c1)C(=O)NCc1cc(Cl)ccc1O ZINC001644590824 1195118588 /nfs/dbraw/zinc/11/85/88/1195118588.db2.gz QMNNJKQZTBPQNO-JTQLQIEISA-N 0 0 323.751 3.268 20 10 DGCDRN Cc1nc2c(cccc2C(=O)NCc2cc(Cl)ccc2O)[nH]1 ZINC001644590756 1195118641 /nfs/dbraw/zinc/11/86/41/1195118641.db2.gz NIFBIKLFIFHPOL-UHFFFAOYSA-N 0 0 315.760 3.160 20 10 DGCDRN COc1ccc(N(CCc2ccccc2)Cc2cnn(C)n2)cc1 ZINC001644865948 1195139107 /nfs/dbraw/zinc/13/91/07/1195139107.db2.gz OCJMOCFYHSQWFA-UHFFFAOYSA-N 0 0 322.412 3.073 20 10 DGCDRN Cc1ccc(C(=O)Nc2ccc(Cl)c(N(C)C)c2)c(O)c1O ZINC001645085381 1195155254 /nfs/dbraw/zinc/15/52/54/1195155254.db2.gz ONPPPBUTXDFTRS-UHFFFAOYSA-N 0 0 320.776 3.378 20 10 DGCDRN Cc1nccc2c(NC(=O)Cc3ccc(O)c(O)c3)cccc12 ZINC001645112781 1195158721 /nfs/dbraw/zinc/15/87/21/1195158721.db2.gz FOSFJZRFQKEWRH-UHFFFAOYSA-N 0 0 308.337 3.136 20 10 DGCDRN Cc1cccn2c(NC(=O)c3ccc(N=NC(N)=O)cc3)cnc12 ZINC001645404170 1195181860 /nfs/dbraw/zinc/18/18/60/1195181860.db2.gz MROVBWDVRMICMI-UHFFFAOYSA-N 0 0 322.328 3.057 20 10 DGCDRN CC(C)c1cc(C(=O)NCc2c(O)ccc3ccccc32)n(C)n1 ZINC001645441283 1195184044 /nfs/dbraw/zinc/18/40/44/1195184044.db2.gz YGTHJFGTSCAGAA-UHFFFAOYSA-N 0 0 323.396 3.332 20 10 DGCDRN Cc1cc(CCC(=O)NCc2c(O)ccc3ccccc32)no1 ZINC001645443856 1195184128 /nfs/dbraw/zinc/18/41/28/1195184128.db2.gz XLBDOQVMEPNKTJ-UHFFFAOYSA-N 0 0 310.353 3.091 20 10 DGCDRN CCn1ncc(CN(CCC(C)C)c2ccc(OC)cc2)n1 ZINC001645501901 1195189846 /nfs/dbraw/zinc/18/98/46/1195189846.db2.gz XSVHQUHOJLCAGQ-UHFFFAOYSA-N 0 0 302.422 3.359 20 10 DGCDRN COC(=O)CC1(CN(CC2CC2)c2ccc(OC)cc2)CC1 ZINC001645726383 1195199247 /nfs/dbraw/zinc/19/92/47/1195199247.db2.gz GBKYLXJIALSICL-UHFFFAOYSA-N 0 0 303.402 3.255 20 10 DGCDRN Cc1ccc(O)c(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC001645800497 1195202262 /nfs/dbraw/zinc/20/22/62/1195202262.db2.gz GXOWLNOKZAUASZ-UHFFFAOYSA-N 0 0 320.732 3.192 20 10 DGCDRN Cc1ccc2c(c1)S[C@H](C(=O)NCc1c(O)cccc1F)C2 ZINC001646033524 1195211255 /nfs/dbraw/zinc/21/12/55/1195211255.db2.gz AJPONKSCOWVOJD-INIZCTEOSA-N 0 0 317.385 3.173 20 10 DGCDRN O=C(NCc1c(O)cccc1F)c1cc(Cl)nc(C2CC2)c1 ZINC001646035204 1195211550 /nfs/dbraw/zinc/21/15/50/1195211550.db2.gz RPPGWJDPANGPOO-UHFFFAOYSA-N 0 0 320.751 3.387 20 10 DGCDRN O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc2cc(O)c(O)cc2s1 ZINC001646376765 1195225601 /nfs/dbraw/zinc/22/56/01/1195225601.db2.gz BONFSYSGNFSCND-MXWKQRLJSA-N 0 0 317.410 3.479 20 10 DGCDRN O=C(NCc1c(O)cccc1O)c1ccc(SC2CC2)cc1 ZINC001647270260 1195247502 /nfs/dbraw/zinc/24/75/02/1195247502.db2.gz PUUQQZKHTNLXEQ-UHFFFAOYSA-N 0 0 315.394 3.282 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1cc(O)ccc1Cl ZINC001647829947 1195256920 /nfs/dbraw/zinc/25/69/20/1195256920.db2.gz APVLDWWLLITQBN-UHFFFAOYSA-N 0 0 312.152 3.335 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1ccc([N+](=O)[O-])cc1F ZINC001647826612 1195257007 /nfs/dbraw/zinc/25/70/07/1195257007.db2.gz BQDHQCAZIXZKNG-UHFFFAOYSA-N 0 0 324.695 3.023 20 10 DGCDRN Cc1cccc([C@H](NC(=O)Cc2ccc(O)c(O)c2)C(C)C)c1 ZINC001648514042 1195305695 /nfs/dbraw/zinc/30/56/95/1195305695.db2.gz JBZIBNRSDHQONI-LJQANCHMSA-N 0 0 313.397 3.462 20 10 DGCDRN O=C(c1ccc(F)c2ccncc12)N1Cc2cccc(O)c2C1 ZINC001650674629 1195370494 /nfs/dbraw/zinc/37/04/94/1195370494.db2.gz KDSMGLOLYCYERQ-UHFFFAOYSA-N 0 0 308.312 3.236 20 10 DGCDRN Cn1cnc2cc(NCc3ccc(-n4ccnc4)cc3)ccc21 ZINC001650706089 1195374317 /nfs/dbraw/zinc/37/43/17/1195374317.db2.gz BJESAAUIRYRSQH-UHFFFAOYSA-N 0 0 303.369 3.371 20 10 DGCDRN C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC001650733877 1195377173 /nfs/dbraw/zinc/37/71/73/1195377173.db2.gz SJYNCUIBURMQBH-LKFCYVNXSA-N 0 0 315.244 3.271 20 10 DGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCC2(C1)OCCO2 ZINC001650860921 1195389508 /nfs/dbraw/zinc/38/95/08/1195389508.db2.gz LDTPSFUTIHWDFR-LLVKDONJSA-N 0 0 318.200 3.084 20 10 DGCDRN CN(Cc1ccccc1O)c1ncc([N+](=O)[O-])c2ccccc21 ZINC001650883426 1195391650 /nfs/dbraw/zinc/39/16/50/1195391650.db2.gz OFYKAHFOAQNEEK-UHFFFAOYSA-N 0 0 309.325 3.485 20 10 DGCDRN C[C@H](CCc1cccc(F)c1)C(=O)NCc1cc(O)ccc1O ZINC001651222923 1195427440 /nfs/dbraw/zinc/42/74/40/1195427440.db2.gz RWBQBKYTTGCSMU-GFCCVEGCSA-N 0 0 317.360 3.122 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)c1ccncc1[N+](=O)[O-] ZINC001651339197 1195446463 /nfs/dbraw/zinc/44/64/63/1195446463.db2.gz KXTXHKJNKRTXJM-UHFFFAOYSA-N 0 0 312.373 3.226 20 10 DGCDRN C[C@@H]1C[NH+](Cc2ccc(Br)cc2O)C[C@@H](C)S1 ZINC001651827548 1195513975 /nfs/dbraw/zinc/51/39/75/1195513975.db2.gz DWTRZQXVJITXAI-NXEZZACHSA-N 0 0 316.264 3.481 20 10 DGCDRN CC(C)CO[C@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001651884063 1195520072 /nfs/dbraw/zinc/52/00/72/1195520072.db2.gz ZZUDXEYMRJYAQO-AWEZNQCLSA-N 0 0 312.404 3.278 20 10 DGCDRN COC(=O)/C=C/c1ccc(N2CC[C@@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001651967121 1195529340 /nfs/dbraw/zinc/52/93/40/1195529340.db2.gz QVFGSKWQIMNKQU-MVTQWGDUSA-N 0 0 318.373 3.406 20 10 DGCDRN COC(=O)/C=C\c1ccc(N2C[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC001652013779 1195536692 /nfs/dbraw/zinc/53/66/92/1195536692.db2.gz KTKARXUTJGQPOB-TXKQXAOOSA-N 0 0 316.357 3.160 20 10 DGCDRN COc1ccc(N(C)CCN(C)c2cc(C(C)C)ncn2)cc1 ZINC001652011165 1195537078 /nfs/dbraw/zinc/53/70/78/1195537078.db2.gz UMGVZSDAAYZIAB-UHFFFAOYSA-N 0 0 314.433 3.181 20 10 DGCDRN COC(=O)c1cc(OCc2cccc(F)c2)ccc1N(C)C ZINC001652165359 1195556335 /nfs/dbraw/zinc/55/63/35/1195556335.db2.gz RSTVMVQVEOGXMW-UHFFFAOYSA-N 0 0 303.333 3.257 20 10 DGCDRN CCc1ccccc1OCCC(=O)NCc1c(O)cccc1F ZINC001652297938 1195576312 /nfs/dbraw/zinc/57/63/12/1195576312.db2.gz CERMMCYONXRHQO-UHFFFAOYSA-N 0 0 317.360 3.179 20 10 DGCDRN CCCn1ccnc1CCC[N@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001652394119 1195591624 /nfs/dbraw/zinc/59/16/24/1195591624.db2.gz PLWPUJAVKZCMNS-UHFFFAOYSA-N 0 0 323.387 3.342 20 10 DGCDRN O=C(NCc1c(O)cccc1O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001652629086 1195628776 /nfs/dbraw/zinc/62/87/76/1195628776.db2.gz WDYJZYSEAOZXBM-KGLIPLIRSA-N 0 0 315.344 3.047 20 10 DGCDRN Cc1ccc(CN(C)[C@@H](c2nc[nH]n2)c2ccccc2)c(O)c1 ZINC001652632193 1195629602 /nfs/dbraw/zinc/62/96/02/1195629602.db2.gz VOZATWKJIQJTCS-QGZVFWFLSA-N 0 0 308.385 3.040 20 10 DGCDRN COCCOC(=O)N(C)CSc1ncc(C(C)(C)C)s1 ZINC001652714343 1195639300 /nfs/dbraw/zinc/63/93/00/1195639300.db2.gz BAFWSKYOVGXLDD-UHFFFAOYSA-N 0 0 318.464 3.205 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]Cc1nccc2c1CCCC2 ZINC001653097354 1195687558 /nfs/dbraw/zinc/68/75/58/1195687558.db2.gz GSFFOCVYFCADKR-UHFFFAOYSA-N 0 0 304.340 3.234 20 10 DGCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)CCCC1CC1 ZINC001653502324 1195728869 /nfs/dbraw/zinc/72/88/69/1195728869.db2.gz OXKJBXGJQTXYDK-UHFFFAOYSA-N 0 0 324.490 3.095 20 10 DGCDRN Cc1ccc2oc(C(=O)NCc3cccc(Cl)c3O)cc2n1 ZINC001653567269 1195735290 /nfs/dbraw/zinc/73/52/90/1195735290.db2.gz RUNGJXOMGPJVFN-UHFFFAOYSA-N 0 0 316.744 3.425 20 10 DGCDRN O=C(NCc1cccc(Cl)c1O)c1cc2ccccc2[nH]1 ZINC001653563975 1195735678 /nfs/dbraw/zinc/73/56/78/1195735678.db2.gz VHXUGHQWCQNKLA-UHFFFAOYSA-N 0 0 300.745 3.457 20 10 DGCDRN COc1ccc(N(C)CCOCC(F)(F)C(F)(F)F)cc1 ZINC001654124079 1195776102 /nfs/dbraw/zinc/77/61/02/1195776102.db2.gz CYQKBUJCVOAPDV-UHFFFAOYSA-N 0 0 313.266 3.346 20 10 DGCDRN O=C(N[C@@H]1CCCc2c(F)cccc21)c1c(F)ccc(O)c1O ZINC001654618642 1195823648 /nfs/dbraw/zinc/82/36/48/1195823648.db2.gz HOCIGWHZZJGWQS-CYBMUJFWSA-N 0 0 319.307 3.183 20 10 DGCDRN Cc1nn(C)c2ncc(NCc3ccc(N(C)C)c(F)c3)cc12 ZINC001656000594 1195986471 /nfs/dbraw/zinc/98/64/71/1195986471.db2.gz QPYZZJQWVNCBMY-UHFFFAOYSA-N 0 0 313.380 3.094 20 10 DGCDRN CN1Cc2c(cccc2NCc2cc(Cl)cc(F)c2O)C1=O ZINC001656429487 1196039527 /nfs/dbraw/zinc/03/95/27/1196039527.db2.gz GLHXMRYGWCTTOI-UHFFFAOYSA-N 0 0 320.751 3.382 20 10 DGCDRN COC(=O)c1cnc(S[C@@H](C(C)=O)c2ccccc2)s1 ZINC001656581270 1196052261 /nfs/dbraw/zinc/05/22/61/1196052261.db2.gz XMLIWHHABMPBFE-LBPRGKRZSA-N 0 0 307.396 3.352 20 10 DGCDRN CCOC(CCC[NH2+]Cc1cc(Cl)cc(F)c1[O-])OCC ZINC001656633934 1196056681 /nfs/dbraw/zinc/05/66/81/1196056681.db2.gz IVJBXCLNUOEFGY-UHFFFAOYSA-N 0 0 319.804 3.454 20 10 DGCDRN C[C@]1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCCC[C@@H]1O ZINC001656689455 1196062499 /nfs/dbraw/zinc/06/24/99/1196062499.db2.gz XXVBZULUKQCWEL-DZGCQCFKSA-N 0 0 301.789 3.216 20 10 DGCDRN COc1cncc(NCc2cc(C)cc(Br)c2O)c1 ZINC001656758869 1196069123 /nfs/dbraw/zinc/06/91/23/1196069123.db2.gz GDQWPQPNWQVXTH-UHFFFAOYSA-N 0 0 323.190 3.479 20 10 DGCDRN COCCOc1ccc(NCc2c(O)cc(C)cc2Cl)cn1 ZINC001656966121 1196088088 /nfs/dbraw/zinc/08/80/88/1196088088.db2.gz OVWUQNXKPRFHJD-UHFFFAOYSA-N 0 0 322.792 3.386 20 10 DGCDRN CC(=O)Nc1ccc(NCc2cc(Cl)cc(F)c2O)nc1 ZINC001657153139 1196112294 /nfs/dbraw/zinc/11/22/94/1196112294.db2.gz SSINWANHGNHPPK-UHFFFAOYSA-N 0 0 309.728 3.150 20 10 DGCDRN CN(C)c1cc(F)c(CN(C)CCOC(C)(C)C)cc1F ZINC001657202135 1196117681 /nfs/dbraw/zinc/11/76/81/1196117681.db2.gz VNUGKJVDAKWRHC-UHFFFAOYSA-N 0 0 300.393 3.278 20 10 DGCDRN Cc1cccc(OCC[N@@H+](C)Cc2cc(F)c(F)cc2[O-])c1 ZINC001657413492 1196139339 /nfs/dbraw/zinc/13/93/39/1196139339.db2.gz WDHLQKWXZUGCMD-UHFFFAOYSA-N 0 0 307.340 3.490 20 10 DGCDRN Oc1cc(F)c(F)cc1CNc1cccc(-c2nnco2)c1 ZINC001657516677 1196150489 /nfs/dbraw/zinc/15/04/89/1196150489.db2.gz IODMHTSQVGZMAZ-UHFFFAOYSA-N 0 0 303.268 3.333 20 10 DGCDRN Cc1ccc(OCC[N@@H+](C)Cc2cc(F)cc(F)c2[O-])cc1 ZINC001657601102 1196158313 /nfs/dbraw/zinc/15/83/13/1196158313.db2.gz RUDUSDGVQYSSTC-UHFFFAOYSA-N 0 0 307.340 3.490 20 10 DGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1ccc2c(c1)CCCO2 ZINC001657677956 1196168728 /nfs/dbraw/zinc/16/87/28/1196168728.db2.gz OKTMAEZIKWZMJT-UHFFFAOYSA-N 0 0 324.424 3.477 20 10 DGCDRN COc1cc(C)c(CNc2ccc3c(c2)C[C@H](OC)C3)c(O)c1 ZINC001657755205 1196175693 /nfs/dbraw/zinc/17/56/93/1196175693.db2.gz YENSMKVIHXXWQA-QGZVFWFLSA-N 0 0 313.397 3.435 20 10 DGCDRN C/C=C\C[C@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)OCC ZINC001657997667 1196200790 /nfs/dbraw/zinc/20/07/90/1196200790.db2.gz YAMIJKTYDIMBRB-DIUAEVJXSA-N 0 0 316.445 3.253 20 10 DGCDRN CCn1cc(CN2C[C@@H](C(C)C)Cc3cc(OC)ccc32)nn1 ZINC001658391124 1196250307 /nfs/dbraw/zinc/25/03/07/1196250307.db2.gz CEABNQPWRWJJIB-HNNXBMFYSA-N 0 0 314.433 3.142 20 10 DGCDRN COc1ccc2c(c1)CCCN2Cc1ccnc(OC)c1F ZINC001659383060 1196377873 /nfs/dbraw/zinc/37/78/73/1196377873.db2.gz NPQSBRVQOCVSGD-UHFFFAOYSA-N 0 0 302.349 3.191 20 10 DGCDRN CCNC(=O)c1ccc(NCc2cc(F)c(F)cc2O)cc1 ZINC001659557472 1196394875 /nfs/dbraw/zinc/39/48/75/1196394875.db2.gz SRRSAEPVVRIDMQ-UHFFFAOYSA-N 0 0 306.312 3.032 20 10 DGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC001659709843 1196407943 /nfs/dbraw/zinc/40/79/43/1196407943.db2.gz FTGHBNJLQCDXEA-CHWSQXEVSA-N 0 0 311.372 3.309 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC001659756348 1196411243 /nfs/dbraw/zinc/41/12/43/1196411243.db2.gz PFGLMZYTJMYIGY-WFASDCNBSA-N 0 0 316.367 3.213 20 10 DGCDRN O=C(C[NH2+]Cc1cccc(F)c1[O-])Nc1cccc2ccccc21 ZINC001659931804 1196430358 /nfs/dbraw/zinc/43/03/58/1196430358.db2.gz PLQTUFVKENNIQT-UHFFFAOYSA-N 0 0 324.355 3.413 20 10 DGCDRN CC(C)c1ccc(O)c(CNc2ccc(C3(O)COC3)cc2)c1 ZINC001659951171 1196432315 /nfs/dbraw/zinc/43/23/15/1196432315.db2.gz FCGMCDJAPQQHMG-UHFFFAOYSA-N 0 0 313.397 3.346 20 10 DGCDRN COc1cc(CC[NH2+]Cc2ccc(Cl)cc2[O-])cc(OC)c1 ZINC001660249530 1196462000 /nfs/dbraw/zinc/46/20/00/1196462000.db2.gz CZTPKYUJIMALLD-UHFFFAOYSA-N 0 0 321.804 3.395 20 10 DGCDRN Oc1ccc2c(c1)CN(Cc1ccc(Cl)cc1O)CCO2 ZINC001660334622 1196472630 /nfs/dbraw/zinc/47/26/30/1196472630.db2.gz KTPKBDNRAMTLKS-UHFFFAOYSA-N 0 0 305.761 3.146 20 10 DGCDRN Cc1csc([C@@H]2CC[N@H+](Cc3cc(F)c(F)cc3[O-])C2)n1 ZINC001660653299 1196509702 /nfs/dbraw/zinc/50/97/02/1196509702.db2.gz NDVXFPITWCZCNY-SNVBAGLBSA-N 0 0 310.369 3.425 20 10 DGCDRN CCC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccccn1 ZINC001661311221 1196593508 /nfs/dbraw/zinc/59/35/08/1196593508.db2.gz XNQCLCXSJGDIRZ-CQSZACIVSA-N 0 0 301.346 3.326 20 10 DGCDRN CC(=O)Nc1ccc(NC/C=C\c2ccc(N(C)C)cc2)nc1 ZINC001662193799 1196692753 /nfs/dbraw/zinc/69/27/53/1196692753.db2.gz BTFVRMJDIAGICK-PLNGDYQASA-N 0 0 310.401 3.231 20 10 DGCDRN COCOc1ccc(NC(=O)N(C)Cc2ccccc2O)cc1 ZINC001662806740 1196754008 /nfs/dbraw/zinc/75/40/08/1196754008.db2.gz VTUPXAVJWTXZAP-UHFFFAOYSA-N 0 0 316.357 3.039 20 10 DGCDRN Cc1ccc(CNCc2noc(-c3ccccc3C)n2)c(O)c1 ZINC001664414104 1196996267 /nfs/dbraw/zinc/99/62/67/1196996267.db2.gz JWFLFVMHEOIMGO-UHFFFAOYSA-N 0 0 309.369 3.349 20 10 DGCDRN CN(CCC[N@H+](C)Cc1cc(F)c(F)cc1[O-])Cc1ccco1 ZINC001664644207 1197024845 /nfs/dbraw/zinc/02/48/45/1197024845.db2.gz DBJHKXCQPLUVSZ-UHFFFAOYSA-N 0 0 324.371 3.217 20 10 DGCDRN Cc1cc(N(C)C)ccc1CN1C[C@@H](CO)Cc2ccccc21 ZINC001664857354 1197070783 /nfs/dbraw/zinc/07/07/83/1197070783.db2.gz JGCDVFLZMFLKQD-INIZCTEOSA-N 0 0 310.441 3.232 20 10 DGCDRN C[C@@H]1CN(Cc2ccc(Cl)cc2O)c2ccccc2C(=O)N1 ZINC001664905967 1197078662 /nfs/dbraw/zinc/07/86/62/1197078662.db2.gz KLAOBWZQEHGQKM-LLVKDONJSA-N 0 0 316.788 3.184 20 10 DGCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1COC(C)(C)O1 ZINC001664930948 1197079378 /nfs/dbraw/zinc/07/93/78/1197079378.db2.gz FRIWSHZCEJYTFP-PRHODGIISA-N 0 0 320.216 3.329 20 10 DGCDRN CN(C)c1ccc(CN2CC(OC(F)F)C2)c(C(F)(F)F)c1 ZINC001664955336 1197081218 /nfs/dbraw/zinc/08/12/18/1197081218.db2.gz XZTMGHGIKOMIOP-UHFFFAOYSA-N 0 0 324.293 3.195 20 10 DGCDRN CC(C)c1ccc(O)c(CNc2cccc3c2CCNC3=O)c1 ZINC001664996224 1197084767 /nfs/dbraw/zinc/08/47/67/1197084767.db2.gz NKXSEHHITJJIOU-UHFFFAOYSA-N 0 0 310.397 3.414 20 10 DGCDRN C[C@H](NS(=O)(=O)c1coc2ccccc21)c1ccccc1O ZINC001664995658 1197084913 /nfs/dbraw/zinc/08/49/13/1197084913.db2.gz RGFBTRWLROQFQD-NSHDSACASA-N 0 0 317.366 3.178 20 10 DGCDRN COc1cc(C)c(CNc2ccc(-n3nncc3C)cc2)c(O)c1 ZINC001665086875 1197095511 /nfs/dbraw/zinc/09/55/11/1197095511.db2.gz WLERRRFGLRJNQM-UHFFFAOYSA-N 0 0 324.384 3.210 20 10 DGCDRN CC1(C)CC[C@@H](CO)[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001665533800 1197148781 /nfs/dbraw/zinc/14/87/81/1197148781.db2.gz SLWYIEQKNNILGL-NSHDSACASA-N 0 0 301.789 3.168 20 10 DGCDRN Cc1nc2ccc(NC(=O)NCc3cc(C)ccc3O)cc2o1 ZINC001666583137 1197270441 /nfs/dbraw/zinc/27/04/41/1197270441.db2.gz OEEGQUWYIXAJGJ-UHFFFAOYSA-N 0 0 311.341 3.472 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1F ZINC001667686013 1197379497 /nfs/dbraw/zinc/37/94/97/1197379497.db2.gz JZWXDGCOVPGRJU-YUELXQCFSA-N 0 0 319.424 3.127 20 10 DGCDRN C[C@H](NC(=O)Nc1cccc2c1OCO2)c1ccccc1O ZINC001668765110 1197428500 /nfs/dbraw/zinc/42/85/00/1197428500.db2.gz NFAYSXPSWSUPKC-JTQLQIEISA-N 0 0 300.314 3.004 20 10 DGCDRN Cc1cc(CNC(=O)Nc2ccon2)c(C)n1-c1ccccc1 ZINC001669485776 1197458296 /nfs/dbraw/zinc/45/82/96/1197458296.db2.gz AMICLBZVRVPTLD-UHFFFAOYSA-N 0 0 310.357 3.404 20 10 DGCDRN Cc1cc(NC(=O)NCc2c(O)cccc2F)cc2n[nH]cc21 ZINC001670020157 1197516720 /nfs/dbraw/zinc/51/67/20/1197516720.db2.gz JJQIOGRFVLDNMH-UHFFFAOYSA-N 0 0 314.320 3.038 20 10 DGCDRN CCc1ccc(NC(=O)NCc2c(O)cccc2F)cc1OC ZINC001670084901 1197519806 /nfs/dbraw/zinc/51/98/06/1197519806.db2.gz WHWRWVJNNBWUGT-UHFFFAOYSA-N 0 0 318.348 3.424 20 10 DGCDRN CCC1(C)CN(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC001673743479 1197688216 /nfs/dbraw/zinc/68/82/16/1197688216.db2.gz FFJAGTHGSQOLLT-OAHLLOKOSA-N 0 0 317.477 3.434 20 10 DGCDRN CN(Cc1ccccc1O)C(=O)Nc1cncc(C(F)F)c1 ZINC001674362340 1197764693 /nfs/dbraw/zinc/76/46/93/1197764693.db2.gz UEDCTZDSHXLLRD-UHFFFAOYSA-N 0 0 307.300 3.389 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NCC=C(Cl)Cl)cc1F ZINC001674924192 1197921854 /nfs/dbraw/zinc/92/18/54/1197921854.db2.gz ZYRXRAUSNAKKSL-UHFFFAOYSA-N 0 0 320.195 3.010 20 10 DGCDRN CN(C)c1ccc(CNC(=O)N2CCC(C3CCC3)CC2)cc1 ZINC001675052595 1197978252 /nfs/dbraw/zinc/97/82/52/1197978252.db2.gz ITUCRTLHSMAPEO-UHFFFAOYSA-N 0 0 315.461 3.474 20 10 DGCDRN Cc1cc(CNC(=O)N2CC(C)(F)C2)c(C)n1-c1ccccc1 ZINC001675115983 1197987030 /nfs/dbraw/zinc/98/70/30/1197987030.db2.gz VTTLNLBPIRBHHV-UHFFFAOYSA-N 0 0 315.392 3.348 20 10 DGCDRN COC1(CNC(=O)NCc2cc(C)ccc2O)CCCCCC1 ZINC001676641999 1198356530 /nfs/dbraw/zinc/35/65/30/1198356530.db2.gz LEIICBSENWGRFN-UHFFFAOYSA-N 0 0 320.433 3.239 20 10 DGCDRN C[C@H]1C[C@@H]1CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001677786807 1198588196 /nfs/dbraw/zinc/58/81/96/1198588196.db2.gz BEPZHDTZSXQQQI-GOEBONIOSA-N 0 0 301.434 3.084 20 10 DGCDRN C[C@@H](NC(=O)NCCc1cccc(F)c1)c1ccccc1O ZINC001677778184 1198588309 /nfs/dbraw/zinc/58/83/09/1198588309.db2.gz DGEMJUOYHQOBRA-GFCCVEGCSA-N 0 0 302.349 3.134 20 10 DGCDRN CN(C)c1ccc(CNC(=O)NC[C@]2(C)CC2(C)C)cc1F ZINC001677947237 1198609320 /nfs/dbraw/zinc/60/93/20/1198609320.db2.gz PNAXUDVEDYBQIS-KRWDZBQOSA-N 0 0 307.413 3.127 20 10 DGCDRN O=C(NCCc1ccsc1)NCc1cc(Cl)ccc1O ZINC001679196573 1198772734 /nfs/dbraw/zinc/77/27/34/1198772734.db2.gz UAOUDQNEOFVFRR-UHFFFAOYSA-N 0 0 310.806 3.149 20 10 DGCDRN Cc1cccc(F)c1CNC(=O)N[C@@H](C)c1ccccc1O ZINC001679352391 1198786252 /nfs/dbraw/zinc/78/62/52/1198786252.db2.gz WVAAXIWOLSQABP-LBPRGKRZSA-N 0 0 302.349 3.400 20 10 DGCDRN CC(C)CSCCNC(=O)NCc1cccc(Cl)c1O ZINC001679808106 1198827076 /nfs/dbraw/zinc/82/70/76/1198827076.db2.gz FZQMGEFYWOYUII-UHFFFAOYSA-N 0 0 316.854 3.234 20 10 DGCDRN O=C(NCc1ccc(Cl)cc1)NCc1c(O)cccc1F ZINC001681436632 1199003057 /nfs/dbraw/zinc/00/30/57/1199003057.db2.gz UTGJRIBSWOJVQC-UHFFFAOYSA-N 0 0 308.740 3.184 20 10 DGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CCC1(C)C ZINC001682421460 1199159259 /nfs/dbraw/zinc/15/92/59/1199159259.db2.gz LXFILRKCTKEKIC-YOEHRIQHSA-N 0 0 317.477 3.480 20 10 DGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC001686272144 1199548083 /nfs/dbraw/zinc/54/80/83/1199548083.db2.gz ASGNXJOJSPQEOL-BCDXTJNWSA-N 0 0 313.445 3.227 20 10 DGCDRN C[C@H](NC(=O)NCc1cccc(Cl)c1O)c1cccc(O)c1 ZINC001686298426 1199551404 /nfs/dbraw/zinc/55/14/04/1199551404.db2.gz AFHDSLLFUDILOO-JTQLQIEISA-N 0 0 320.776 3.312 20 10 DGCDRN CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(N)cc2)cc1 ZINC000314225458 1199783013 /nfs/dbraw/zinc/78/30/13/1199783013.db2.gz FNDOUXNHNUCOKJ-UHFFFAOYSA-N 0 0 318.442 3.045 20 10 DGCDRN NC(=O)c1ccc(F)c(NCc2ccc(N3CCCC3)cc2)c1 ZINC000319657456 1199840171 /nfs/dbraw/zinc/84/01/71/1199840171.db2.gz FFJJXQCFKRQWLV-UHFFFAOYSA-N 0 0 313.376 3.137 20 10 DGCDRN CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1[C@@H]1C[C@H]1C ZINC001692079817 1200923091 /nfs/dbraw/zinc/92/30/91/1200923091.db2.gz FZBZRZDRLKAYDN-UKRRQHHQSA-N 0 0 314.433 3.400 20 10 DGCDRN COc1cccc(CNC(=O)c2cc(C)n(C3CC3)c2C)c1O ZINC000155574775 1202599028 /nfs/dbraw/zinc/59/90/28/1202599028.db2.gz DPBHBVWUXYPYID-UHFFFAOYSA-N 0 0 314.385 3.084 20 10 DGCDRN